smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCN1C(=O)/C(=c2/sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)c2ccccc21 727875 LPQVXPNBGTUMPI-VHEBQXMUSA-N 444.472 2.194 30 10 IEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 103113712 BQGKSXHWHZBULV-MBDQKHHZSA-N 446.507 2.397 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 382612673 WTMQCHYHLGWZSP-KRWDZBQOSA-N 432.374 2.260 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 438603191 BONAFROTHXRBNW-UHFFFAOYSA-N 433.468 2.125 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 443478987 VUQXMUNYWQTGII-UHFFFAOYSA-N 426.336 2.344 30 10 IEEE Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 463797785 RAGGPKCDKUZARJ-QGZVFWFLSA-N 445.972 2.078 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 477695970 ZBEBRLMKGHJRHJ-ZDUSSCGKSA-N 427.461 2.403 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@H]3CCCO3)c2=O)nc1 486838828 IGPIHZKHVZQRPY-LJQANCHMSA-N 437.565 2.445 30 10 IEEE CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505792364 FUKQWJAIVXMVLR-HSZRJFAPSA-N 436.597 2.191 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 508476129 BJUZPFYHOMFOCP-BGYRXZFFSA-N 440.592 2.469 30 10 IEEE Cc1cc(S(C)(=O)=O)ccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 510596493 JJJRYWMGSOLZKM-SFHVURJKSA-N 440.481 2.114 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 514522916 OZCTZJLZRDBUGZ-IBGZPJMESA-N 447.560 2.271 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1C[C@H]1CCCO1 514522917 OZCTZJLZRDBUGZ-LJQANCHMSA-N 447.560 2.271 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 521568487 JTCQMCNEXPQPCH-NRFANRHFSA-N 447.495 2.408 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)cc2)nc1 538326005 IEHKQYVUHQILAD-UWJYYQICSA-N 427.482 2.212 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)O)o1 558472879 ASWCDKNZZANEQY-AWEZNQCLSA-N 438.259 2.369 30 10 IEEE C=CCc1cc(CNC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc(OC)c1OC 558942074 YJHMDYDCSXXGOS-UHFFFAOYSA-N 437.562 2.142 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCOCC3CCC3)nnc12 563926463 KANUFYMPRMDTNJ-UHFFFAOYSA-N 427.530 2.255 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 566827759 DVZWMRKZIQQYIB-QGZVFWFLSA-N 429.502 2.241 30 10 IEEE COc1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)ccc1C#N 573261415 AQNYBQMIKYTRNW-UHFFFAOYSA-N 440.884 2.137 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 578543666 FRSSRXGBKKGQCC-CKNGIIGNSA-N 427.501 2.284 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CN3CCN(C)CC3)c3ccccc3)cc2C1=O 589921756 RGZISUANHFWBSL-JOCHJYFZSA-N 432.524 2.187 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 608981197 FBUWRGIMOLZRPX-UHFFFAOYSA-N 434.905 2.341 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1 619665913 RUTZXCDZAIBFRU-HXUWFJFHSA-N 437.521 2.424 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)cs1 679755326 OXQHPAHMPWPOSO-INIZCTEOSA-N 429.567 2.116 30 10 IEEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cccs2)C1=O 730144489 NSQRJHNDEAAHLV-GOTYSUTNSA-N 445.614 2.254 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H]2CCCC[C@H]21 732154909 ZKGDGCZFIXQNOK-NRPVIZNNSA-N 432.521 2.197 30 10 IEEE CCOc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N(CC)CC 732696969 UZFGZBSWSOBINN-GOSISDBHSA-N 449.577 2.320 30 10 IEEE COC(=O)c1cc(F)ccc1COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733832050 WMEWTZGERCEEFD-GOSISDBHSA-N 439.399 2.432 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742213258 FYLIHYNCCISVTG-WFVVYAPDSA-N 431.562 2.173 30 10 IEEE COc1ccc(COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746962268 KNIXMXVGAGKWFX-UHFFFAOYSA-N 430.482 2.253 30 10 IEEE Cc1oc(NC(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)c(C#N)c1C 750426137 PNEOBOUAVDVRRJ-UHFFFAOYSA-N 445.233 2.302 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758580032 LZXLFKFYYJQFEL-IXDOHACOSA-N 429.521 2.332 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 764630315 ZXZDPXFHZCEDHZ-GOSISDBHSA-N 436.597 2.106 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@@H](CNC(C)=O)C2)c1=S 764992245 FITQAIJSGHSLOW-IBGZPJMESA-N 431.562 2.282 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)n1 788858615 DXDQGKILIJSDBK-UHFFFAOYSA-N 441.507 2.118 30 10 IEEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 798361423 COFPHTRIOHSQKH-OALUTQOASA-N 425.558 2.215 30 10 IEEE CCCCn1c(=O)nc(O)c2c1nc(COC(=O)C1(c3cc(F)cc(C#N)c3)CC1)n2C 803923186 JANNIUHPVDLCAI-UHFFFAOYSA-N 439.447 2.421 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCc1cnn(C)n1 814702037 KIOIRVMAKIMEPD-SFHVURJKSA-N 426.546 2.357 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2=O)cc1 917016924 FZYMBTNCGJJYJH-FXAWDEMLSA-N 432.480 2.397 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cn1 1084119841 BOCAQTDLWXXWSK-UHFFFAOYSA-N 439.505 2.322 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCc3c(CC#N)cccc3C2)C1=O 1132004584 KKTIGWJTEMEMHH-VWLOTQADSA-N 446.507 2.422 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1 1142298163 AQZAKGCYZXWKJH-UHFFFAOYSA-N 443.529 2.206 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 1147255774 YJXXVRIBIUKPHP-UHFFFAOYSA-N 433.877 2.260 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)Cn1cnc2c(I)cc(F)cc2c1=O 1166383069 IVDRTTGRWUDUTE-JTQLQIEISA-N 442.232 2.148 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] 1178708238 DNUUNJBQMNKVTM-SFHVURJKSA-N 426.477 2.451 30 10 IEEE Cc1c(Cl)cccc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1180242483 AXZYFEUWSLXLOV-UHFFFAOYSA-N 446.960 2.426 30 10 IEEE Cc1c(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cccc1S(=O)(=O)N(C)C 1206274177 CNSREBDCLBSLOY-INIZCTEOSA-N 429.502 2.197 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2nn(C)c(C)c2CNC(=O)OC(C)(C)C)c1 1219309623 ARWVHSRLUJHCRK-UHFFFAOYSA-N 440.504 2.495 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1286272216 AADFMRUBWIDTCM-HUUCEWRRSA-N 435.370 2.225 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1286272798 DNLPQDXLNIELCE-GFCCVEGCSA-N 442.321 2.046 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccccc2)CC1 1286342072 LPNQYSNEYJBWEL-QGZVFWFLSA-N 443.573 2.401 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1286389988 USEJBVFHZXVQRL-FQEVSTJZSA-N 428.558 2.367 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286391211 GYIXIYPOULHEPI-OFNKIYASSA-N 442.585 2.155 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccc(F)cc1 1286401471 QXXBWJVPZWWLTK-RPWUZVMVSA-N 440.519 2.438 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(C)(=O)=O 1286415179 FBINHUPRHOVKFA-UHFFFAOYSA-N 428.558 2.272 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCC(=O)N1CCCCCC1 1286419486 YTRFVHZNWBYDDX-UHFFFAOYSA-N 440.592 2.452 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1286421268 WPCLAIKYGOGAMH-QZTJIDSGSA-N 444.532 2.455 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ncn(C)n1 1286457374 NAHCPVKJWIXDDP-HNNXBMFYSA-N 429.912 2.334 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1286467000 PIQXPDZCDKZJPB-HXUWFJFHSA-N 427.524 2.353 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286477345 XUWLVYGYOBNJFH-GOSISDBHSA-N 439.564 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(Cl)c(OC)c2)CC1 1286492323 ISOWWSUIZQPJRS-UHFFFAOYSA-N 445.951 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccccc1C 1286814067 JJPZDPYDQOIIAT-UHFFFAOYSA-N 445.589 2.450 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1286833133 VYOCKRGTCHJOAS-INIZCTEOSA-N 427.640 2.020 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1CC1 1288828003 CIEHSIWLQQRVOI-OAHLLOKOSA-N 444.561 2.218 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1288897651 ACRQCASJGKQJNO-GCJKJVERSA-N 443.573 2.218 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3N)CC2)cc1 1290637825 YUBPJQAOYIIJHO-UHFFFAOYSA-N 438.431 2.306 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1297696757 GCSXFDPDNPMHHF-IBGZPJMESA-N 441.513 2.422 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300481828 BVQXMFMPAVASLL-UXIGCNINSA-N 438.351 2.243 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1300493518 VYQSSQZITHREOD-IBGZPJMESA-N 428.558 2.424 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1300643771 MTZWVIFMVBSKHG-UHFFFAOYSA-N 433.603 2.374 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300719020 LMYSUJGHRWPICC-DENIHFKCSA-N 446.555 2.334 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301227654 URKMHPFTAJJBIH-LJQANCHMSA-N 432.594 2.338 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301259588 NYHOBAHLBYSKNV-UHFFFAOYSA-N 448.531 2.267 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](CC)C1 1301493151 VDIATCHUSMACMX-JKSUJKDBSA-N 429.521 2.268 30 10 IEEE C=CCOc1ccccc1Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CCS(=O)(=O)C1 1301535592 MGHVBUOENVNTDP-INIZCTEOSA-N 428.518 2.270 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2c(C)noc2C)CCO1 1301898145 CIMVOXQIHJJCIM-FQEVSTJZSA-N 449.515 2.006 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1303635270 CVNZTAGEAHVENF-CVEARBPZSA-N 443.556 2.308 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC[C@H]1C 1303898828 CBDVJEYVANWQJE-FUHIMQAGSA-N 444.511 2.007 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H](C)O1 1305205448 IMODCJFRQNNIIA-IAGOWNOFSA-N 438.532 2.388 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 1312934335 MNTGXTMPBUWKEB-QGZVFWFLSA-N 446.460 2.124 30 10 IEEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CCOCC1 1354833301 VKKIXIGBRCMGMK-UHFFFAOYSA-N 437.518 2.109 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 1357544608 QTDKUNUCRKOYNG-QQJQMVHRSA-N 436.534 2.351 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358959495 JWKSJBKAHYNZOS-SJORKVTESA-N 449.964 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)COc1ccccc1OC 1358967937 VVNNUBVHFWYYKB-IBGZPJMESA-N 435.528 2.311 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1359007783 VWLUPBXJZLAFMW-HXUWFJFHSA-N 449.559 2.410 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1359036935 OJFLBKXHAZHVIY-UHFFFAOYSA-N 441.461 2.481 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359061232 WBMTZTHPISULHW-FXAWDEMLSA-N 441.557 2.335 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)OC)C1 1359106499 GGJIEJDXGLEVAR-SLHNCBLASA-N 448.564 2.373 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359207804 YCIRUUKXEFYQMT-HNNXBMFYSA-N 434.566 2.227 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](COC)C1 1359209652 ULXOGTOQPOWLLD-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458004389 SRQLXOUXADXOIO-UHFFFAOYSA-N 441.431 2.441 30 10 IEEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1463866554 SNJKEJHCJCAPHD-ZHRRBRCNSA-N 443.525 2.216 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1469871799 GPMPZWQWGCXRGT-UXHICEINSA-N 447.582 2.150 30 10 IEEE COC(=O)c1c(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc2n1CCC2 1470550138 PMJPZZNJHIAHDJ-UHFFFAOYSA-N 444.289 2.325 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC1 1470699314 MZJUEUYWWZSHBN-XMMPIXPASA-N 427.545 2.457 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CN=c1c(C#N)c[nH]c2c(F)c(F)c(F)cc12 1472873604 KJJFIQXFHQBHAK-UHFFFAOYSA-N 441.413 2.132 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1478821648 GJEUQAGYIKYPEX-HSZRJFAPSA-N 449.555 2.131 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1496840842 RHIDBVMXIJSFAI-BTYIYWSLSA-N 428.516 2.098 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncc(CC)s1 1503109674 UHEUFDSSOCXXLH-UHFFFAOYSA-N 438.561 2.475 30 10 IEEE COCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504552678 DMMYWITVPBGYMP-UHFFFAOYSA-N 433.520 2.001 30 10 IEEE COC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1504554268 ALAARCLOTGDJBI-PXNSSMCTSA-N 438.532 2.246 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1505271067 PLDYNXFSTTUZQC-VQIMIIECSA-N 447.561 2.025 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCOC4)C3)n2CCSCCCO)cc1 1505319535 ZOWZIVPGJOEUAN-QFIPXVFZSA-N 443.573 2.461 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCOC 1507533282 LUKDPHGECTXTIY-KRWDZBQOSA-N 438.532 2.357 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1507629570 UOUILADPQIRWBI-OALUTQOASA-N 441.582 2.339 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507630647 DYWXVVGNPZYPRR-HXUWFJFHSA-N 445.564 2.053 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1507711896 LEOGMTQNUXSTHV-GOSISDBHSA-N 431.968 2.329 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1508326854 CUNMBRVJIPKSGG-LJQANCHMSA-N 438.532 2.139 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2cccs2)CCOC1 1509813510 CXTCXPLQRCPFGD-MAODMQOUSA-N 447.561 2.017 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCCc1cnn(C)c1 1512364073 BYVNGDVZMDFTDW-QGZVFWFLSA-N 448.579 2.319 30 10 IEEE CCc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513890484 QISVOMMWAZGNPF-UGNPLGLKSA-N 435.532 2.448 30 10 IEEE CCC[C@](C)(O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1514272674 GGOOTGPJYZQUNC-WTIAFYNJSA-N 446.596 2.046 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCSCC2)CCCCC1 1516607205 DAXIQZMYXMSQEK-GOSISDBHSA-N 434.610 2.295 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C)nn1C 1518021891 GMAFLPABIYBPJV-INIZCTEOSA-N 427.896 2.426 30 10 IEEE COCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1519068545 ZQGFXDXSERHIKM-QGZVFWFLSA-N 448.531 2.367 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@@H]1CCCO1 1519436744 OMIYLYHVNZNVTQ-RYLXDESZSA-N 437.516 2.030 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCCCCO)cc1 1521101844 JOKMJIOXLRDPCB-WOJBJXKFSA-N 438.532 2.139 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)CC2)c(F)c1 1527691343 NRTXRQLDJVBHAD-UHFFFAOYSA-N 435.419 2.208 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1539093626 BEKIINQYXGBJMM-DOTOQJQBSA-N 435.550 2.383 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1539171276 JNRSQJWXUKZOAW-UHFFFAOYSA-N 432.488 2.069 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C(C)(C)C 1539246804 XKVWFUBLUWWFAU-IBGZPJMESA-N 428.558 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC(O)CC1 1539307332 QRNWCSDWFLQMFR-UHFFFAOYSA-N 426.952 2.303 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCC(OC)CC1 1539376788 HCKGMJQFIJSUAP-UHFFFAOYSA-N 427.597 2.489 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1539382658 NAJNDCYXUGJJRO-DQRAZIAOSA-N 434.500 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539403074 NICQNFDNJJKFGP-UHFFFAOYSA-N 445.520 2.226 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)SC 1539408982 KPJDJUHLMGCCJV-HNNXBMFYSA-N 426.546 2.030 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1540047079 DSXZODHTLJSNGF-SNVBAGLBSA-N 434.385 2.383 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1540152159 QIYIOBZPJOOEQD-UNMCSNQZSA-N 439.608 2.493 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1541233624 OMDQSCCLDPCIHH-UGDMGKLASA-N 443.573 2.360 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1542180155 AYYRTTZWWIRMEK-AZUAARDMSA-N 442.560 2.311 30 10 IEEE CCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1546845401 DMHFIRGAZTZZRP-JOCHJYFZSA-N 428.585 2.268 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)c1=O 1547627885 ICEOBBFJLKGKQU-IBGZPJMESA-N 448.527 2.431 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1547899865 FMAYWUOSEFDEIH-DHIUTWEWSA-N 440.548 2.290 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1554185116 HYKSHSUTWSZDHS-IBGZPJMESA-N 448.531 2.013 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)cc1 1554887411 GVVWCUBRETVDIA-INIZCTEOSA-N 431.562 2.245 30 10 IEEE CS(=O)(=O)CCCCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1556275465 PXXPPZVVWXEHLL-UHFFFAOYSA-N 428.352 2.088 30 10 IEEE C#C[C@](C)(CC)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1556664199 IHFBSNBSXXUUPP-QGZVFWFLSA-N 447.326 2.141 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1557361696 ABOLWTDJFILSKT-GXTWGEPZSA-N 438.278 2.055 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n(Cc2ccccc2)c1C 1560122910 KNFBGKOYMVKBRR-PMACEKPBSA-N 440.569 2.330 30 10 IEEE C#C[C@@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)c1ccc(F)cc1 1564996340 VDMNQNBTTRAZPT-GOSISDBHSA-N 428.468 2.383 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)nc(O)c2[C@@H]1/C=C\c1ccccc1 1565531616 AQWSVHHQRRDSFH-SEDCNLEPSA-N 433.468 2.414 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCN1CCCCCC1 1569845788 GISBIPQRYBHDQP-INIZCTEOSA-N 430.977 2.131 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(COCCO)cc1 1570518444 VNNUCNMSQALVED-LJQANCHMSA-N 445.541 2.287 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1587878840 HESKOWSMKIMSFN-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1588074352 MAJVYOYYQOERED-HSZRJFAPSA-N 444.583 2.498 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1588120674 QLVRJOODHMJHIV-HSZRJFAPSA-N 443.555 2.043 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1conc1COC 1588241361 NESHKUQMVVDVRF-UHFFFAOYSA-N 429.484 2.162 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)Cc1ccccc1 1588241405 OSULOVDOJVPVGO-UHFFFAOYSA-N 447.564 2.342 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCC(C)CC2)cc1)c1cc[nH]n1 1588264104 FJIBUFNESXBCIW-UHFFFAOYSA-N 441.532 2.242 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588791259 PUTNUVYLAWZQAO-GOSISDBHSA-N 426.952 2.268 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1594733101 NBQSKNSRUHDVME-HZPDHXFCSA-N 439.582 2.250 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C1CCC1 1594943654 VURPJPQHYJOUHJ-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC)C1CC1 1595034046 VPDHORAYGIWQNE-UHFFFAOYSA-N 440.367 2.412 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1C 1595204980 NCCNFOQNGPIJSR-UHFFFAOYSA-N 431.504 2.030 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595500746 DMXVICRPBWVUFY-UZUQRXQVSA-N 425.533 2.194 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1595551646 UAVNYSHEXZENFY-GOSISDBHSA-N 443.527 2.318 30 10 IEEE C#CCN(CC(=O)N(CCO)Cc1cnn(Cc2ccccc2)c1)C(=O)OC(C)(C)C 1596507948 SKEBPVMGGXRELW-UHFFFAOYSA-N 426.517 2.123 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC)C(=O)OC(C)(C)C 1606590798 CBFOORSMISBYIU-KRWDZBQOSA-N 439.553 2.341 30 10 IEEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1612441338 FDRAOOGJICCTHR-INIZCTEOSA-N 448.597 2.004 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1615956268 GMZIBWLRBYTCIH-UHFFFAOYSA-N 447.547 2.067 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCN2CCCCC2)CCOC1 1616264302 XAGZKBHXTKIUKK-OFNKIYASSA-N 446.596 2.315 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)NCC#CCO)cc2)cc1C 1617902393 ZICUBLRRSDHTOY-GOSISDBHSA-N 430.526 2.008 30 10 IEEE N#C[C@]12CN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)C[C@H]1CS(=O)(=O)C2 1618171684 HWORRFIXHQUBNK-MGPLVRAMSA-N 427.960 2.464 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1618302392 HNGPJIXGTUDNPK-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1619627280 IWOUSYAVTHRZGO-KRWDZBQOSA-N 438.463 2.377 30 10 IEEE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1630415517 QTRISNHXTNBREN-IAYOCZPPSA-N 434.537 2.301 30 10 IEEE COc1cc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1OCCN(C)C 1632711569 XMAVXKKSXDAJNC-UHFFFAOYSA-N 449.504 2.002 30 10 IEEE CCCN(C)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)cc1 1635162164 ASPXMMISKGETGK-QRFRQXIXSA-N 438.981 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)[C@H]2C1 1638218113 OIUDSXKGXDNJTD-TVFCKZIOSA-N 427.505 2.229 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)C2=O)cc1 1638905776 BXLKXEKAHVQSKA-NTKDMRAZSA-N 446.511 2.132 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(I)ccc3N)CC2)cn1 1644135947 QYRMMZYTVJIOFW-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE C#CCN1CCN(C(=O)CN2CCOc3c(Cl)cc(Br)cc3C2)CC1 1648557420 SVPZOZHXVZUGMD-UHFFFAOYSA-N 426.742 2.074 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1654984626 PRWBKXQHAGNYOQ-IIBYNOLFSA-N 444.557 2.237 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)cc1 1674945708 IXXYWHHGBYBAFN-DEOSSOPVSA-N 448.571 2.072 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)C2)nc1 1684600935 RMCUDLDCZWFJIY-FQEVSTJZSA-N 433.516 2.265 30 10 IEEE C#CCN(C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1687837985 BATZHCHDCKOCHX-ZWKOTPCHSA-N 441.594 2.246 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCN(C)CC1 1689823859 BGAHLJQUMPLKRH-MRXNPFEDSA-N 427.578 2.211 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1689831862 SPHRFCSOLZZAAT-MBSDFSHPSA-N 435.532 2.406 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1689993170 XBLAKUCHOQAELP-MRXNPFEDSA-N 435.619 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 1690017667 IZSWZYFRJZWKQJ-VQTJNVASSA-N 433.560 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCc2nccn2C1 1690034549 LJFOQPJWCFOGCG-RDPSFJRHSA-N 436.560 2.241 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690675922 JSRPKRCDLPJBOC-INIZCTEOSA-N 439.495 2.026 30 10 IEEE CCN(CC)C1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1695637387 FRGLQLTXWUFDKJ-FMQUCBEESA-N 443.596 2.413 30 10 IEEE CCOCc1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1696277813 GSRDMJAIZZKCFX-INIZCTEOSA-N 426.512 2.301 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccnn1C)C1CC1 1696477236 ULSRKLHMSUZFFF-UHFFFAOYSA-N 439.545 2.154 30 10 IEEE COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1OC(F)F 1697448186 YPAVYKKEBPRTMZ-OAHLLOKOSA-N 445.430 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCNS(C)(=O)=O 1705477354 MZLMBNNUQXXVRB-FUHWJXTLSA-N 433.578 2.432 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)C1CC1 1705616655 DAVFITDFDOPZLO-RUZDIDTESA-N 436.604 2.263 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705658548 SUVRHZJQYUJNAC-CQSZACIVSA-N 427.500 2.118 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCN(C)S(=O)(=O)CC)CC1 1705783645 OKZTUVGVLWCORE-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1705937103 ITLFSCKGFXRMJJ-UHFFFAOYSA-N 447.609 2.120 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1705940225 YQEOMHCTQPBOCD-MRXNPFEDSA-N 444.671 2.118 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1706536492 QAVIOQKQBIBSEM-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1706601240 GWBIBPRGOVIIRY-QZTJIDSGSA-N 431.585 2.046 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN2CCCC2)CCOC1 1706678788 GTKCNOHEVNLYFM-WMZHIEFXSA-N 446.596 2.169 30 10 IEEE Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1707786120 XQCNVSXIWZOQQI-LJQANCHMSA-N 448.531 2.026 30 10 IEEE CCN1CCN(c2ccc(Cn3c([C@H]4CCCO4)nnc3N(C)[C@@H](C)CC#N)cn2)CC1 1710272441 JENLLAXCGBHECU-AZUAARDMSA-N 438.580 2.453 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)c1nc(C)cs1 1712648505 VWGXMVVOUPBOOF-IWCQGFGOSA-N 432.550 2.300 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1722384836 YFJGOXIRKYMOEM-MRXNPFEDSA-N 447.358 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1722397691 USERQXLLROVUKM-SFHVURJKSA-N 430.961 2.420 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1722431396 JVWHWDNELHYQKM-UHFFFAOYSA-N 427.549 2.405 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc(F)cc2C)CC1 1722431581 ROMMCYVLRVRMFX-LJQANCHMSA-N 429.540 2.448 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOCC)CCC2)CC1 1722441102 PAOZBWHSCOGSCT-UHFFFAOYSA-N 439.608 2.492 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1722467530 TXTMHCWQCZTWCM-JLTOFOAXSA-N 434.566 2.214 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1722492068 PUVNDXJPNLOUCR-AYBZRNKSSA-N 449.577 2.212 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1722542003 SGCGLKMTPMWSHD-LJQANCHMSA-N 445.589 2.404 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722613549 INGRSBVMIIKQPU-GHTZIAJQSA-N 425.581 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccco2)C1 1722729677 TYQZMQAPRONSMX-IBGZPJMESA-N 443.529 2.036 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722729774 WXFDUQYINAMEET-QGZVFWFLSA-N 426.489 2.297 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CCO1 1726726394 QIEFYRPETHBLRT-KRWDZBQOSA-N 438.532 2.260 30 10 IEEE CCCCN(C)CC1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1728036424 QWGXEGAUEHWMKF-QZQOTICOSA-N 429.569 2.061 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1728607369 ZAZBCGFBMBAFKD-DXIQSLLYSA-N 437.592 2.050 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1729740557 AVHGHQAJHFWAFL-UHFFFAOYSA-N 442.467 2.145 30 10 IEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1730340757 FYXZSYURBYPQAM-UZLBHIALSA-N 434.500 2.388 30 10 IEEE COC[C@@H](F)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730492495 JUUOEEPVQIJHGL-HKUYNNGSSA-N 428.512 2.039 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCn1cncn1 1740681917 GKLZGNVALAFDON-UHFFFAOYSA-N 444.337 2.394 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740714107 RJQAESSVYTWMQJ-GOSISDBHSA-N 435.513 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1740730115 RNLKBLVUIUYXRL-JOCHJYFZSA-N 426.521 2.160 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1740773759 CSFOWKXNTFNCNM-LJQANCHMSA-N 445.589 2.333 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1740995808 XZXZULGEJPMDKP-QFBILLFUSA-N 448.545 2.007 30 10 IEEE CC(C)CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1741532661 DQWMSRLJWFDVNH-VQIMIIECSA-N 426.587 2.081 30 10 IEEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1743961877 AQDTYJRMLQYWLL-HXUWFJFHSA-N 440.548 2.363 30 10 IEEE CCCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745547715 GSWYXHVEKSMBHB-GOSISDBHSA-N 449.563 2.477 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748763813 AQROBMGSSCTTNY-FGTMMUONSA-N 433.553 2.314 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748811454 HETGPKKUTHFYDI-GOSISDBHSA-N 428.562 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1748863871 JJDFEWCBPHYNBU-UHFFFAOYSA-N 433.603 2.387 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCn1c(C)nc2ccccc21 1748959913 AAMCURJVBKCLEQ-LJQANCHMSA-N 435.532 2.064 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OCC 1748960216 DRLGEVJHCSJYAO-UHFFFAOYSA-N 438.532 2.093 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1749016916 PTKAIKQBMGPUGH-GMAHTHKFSA-N 448.571 2.211 30 10 IEEE C=C(C)Cn1c(N2C[C@H]3NC(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749207338 IYRIBPFNDDFNPA-WCXIOVBPSA-N 430.553 2.340 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1749330388 AVTLVUWQMQQDOG-QHCPKHFHSA-N 427.549 2.388 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 1749354049 HTOVAFQEJWBLTK-UHFFFAOYSA-N 427.553 2.296 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1749424884 QUHYQZFYDMMVFS-OAHLLOKOSA-N 433.582 2.023 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749427296 OKAGKSSGFMMNAY-KRWDZBQOSA-N 425.599 2.437 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749459546 MQMRGGKXJJGYQA-GOSISDBHSA-N 437.548 2.072 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749672046 OJJFGHKSIGOGOO-UHFFFAOYSA-N 427.549 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(N2CCCCC2)CC1 1749729244 FKJGMUYPLJHDPG-UHFFFAOYSA-N 444.605 2.396 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1CCCCO1 1750027340 JZVUUNWPTVIQDS-YZGWKJHDSA-N 432.569 2.138 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCc2ccccc21 1750948097 DYIQNUZWZVSTOX-JOCHJYFZSA-N 425.512 2.311 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)C)C2)cs1 1751782908 OQLQPQDKSSBEGP-PKOBYXMFSA-N 429.594 2.483 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1760152694 VUAVMWUWRKGADZ-UHFFFAOYSA-N 447.543 2.180 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCN1CC 1760170935 SGTCSNTYWZBQNP-QGZVFWFLSA-N 429.594 2.182 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1760179232 BVGWGOXKZWKIJC-OALUTQOASA-N 446.596 2.388 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760192678 WORHUUUTRDWJCK-XUVXKRRUSA-N 434.606 2.453 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)F)cc2)CC1 1760259363 ASSGVWLXHCHVRL-UHFFFAOYSA-N 425.443 2.140 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ncccc2N(C)C)CC1 1760264435 NMAXXFXMUCYNOG-UHFFFAOYSA-N 445.571 2.430 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCCc2ccccc2)CC1 1760383705 XHXQWQQONUFEBQ-XMMPIXPASA-N 439.560 2.446 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1760442660 UEUSGNZXSUDXQM-UHFFFAOYSA-N 426.496 2.359 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCSC1 1760514863 NEMATDNNJBYDDQ-QGZVFWFLSA-N 428.562 2.391 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCC)C1 1760515922 SQQSEJVNJRRLDP-CQSZACIVSA-N 437.342 2.343 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760532639 AQOSQWMCDCOVJM-QGZVFWFLSA-N 433.578 2.219 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C)C(C)(C)C2)C1 1760546087 IMSOLXBNFFWJBG-NRFANRHFSA-N 439.608 2.071 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCn1ccnn1 1760758647 CTQWFAGZCJXVRW-UHFFFAOYSA-N 434.552 2.142 30 10 IEEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1761014948 JDKREMQRRWIXRN-HLIPFELVSA-N 438.573 2.123 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(C(N)=O)CCCC2)CCOC1 1761282258 DSMFGBKYJJRNPT-QHCPKHFHSA-N 444.580 2.494 30 10 IEEE Cc1nc(Cc2nnc(N(C)CCC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1762271710 PUMNJISVYGDHKG-FMQUCBEESA-N 441.561 2.397 30 10 IEEE CC[C@H](C)c1nnc(N(CC)Cc2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1763538383 XZDHZAQKUOGHNB-ZJYNUGOYSA-N 426.525 2.078 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H](O)C1 1767360316 OFHSATCNHNLWEL-HKUYNNGSSA-N 431.562 2.239 30 10 IEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cnn(C)c2)cc(OC)c1OC 1769797897 DLSNSRGVBOSABC-CQSZACIVSA-N 425.493 2.491 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2ccccn2)CCC1 1771222829 MVZPZPZJIMDMGV-MSOLQXFVSA-N 426.521 2.248 30 10 IEEE CCc1noc(-c2ccn3c(CC(=O)N4CCN(c5ccc(C#N)cc5)CC4)nnc3c2)n1 1850559708 LPYODGADRZHDBH-UHFFFAOYSA-N 442.483 2.105 30 10 IEEE CN1O[C@H](CC(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)N(c2ccc(Cl)cc2)C1=O 1851569247 JFQZJWCOPZXDCD-FUHWJXTLSA-N 443.847 2.490 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccccc4Cl)n3[nH]2)CC1=O 1852331921 WBEGCBMMALFFIG-UONOGXRCSA-N 440.891 2.313 30 10 IEEE COc1ccc(Cn2cc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)nn2)cc1 1852685209 DZLSCSKFKQYRHI-UHFFFAOYSA-N 445.423 2.209 30 10 IEEE C#CCC(=O)O[C@H]1CON(S(=O)(=O)c2cc(Cl)ccc2OCC(F)(F)F)C1 1853899636 YHRHAKJUUBCDML-LLVKDONJSA-N 427.784 2.152 30 10 IEEE CC(C)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854036607 BYBZFROUGZYCRS-UHFFFAOYSA-N 425.510 2.284 30 10 IEEE CCOc1ccc2nc(N3CCN(C[C@@H]4CC(=O)N(C(=O)CC#N)C4)CC3)sc2c1 1854348260 VTRJKTWKFSXOQE-HNNXBMFYSA-N 427.530 2.106 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCc3cccnc3)cc2)c1 1858651040 BMJGRIHYJLEVEE-UHFFFAOYSA-N 449.492 2.071 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 1860733817 UZYCZPSWWWWWHB-BJMVGYQFSA-N 426.416 2.294 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862630344 RMHQEOVJIKKTPG-GOSISDBHSA-N 426.381 2.284 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862749295 VHPFJVQSEABPRT-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CSc1nnnn1C 1870215461 WCVJRDFONMQAHM-UHFFFAOYSA-N 440.529 2.484 30 10 IEEE C=CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1870812328 SBSTTWZIILNGPM-UHFFFAOYSA-N 433.468 2.217 30 10 IEEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871200155 KLGCJEYROTVQSO-UHFFFAOYSA-N 449.529 2.016 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(C(=O)OC)cc1 1874444710 JAVUCJXCEYRWLN-LTNVFZTJSA-N 431.518 2.417 30 10 IEEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC[C@H](COc3cc(C#N)ccn3)C1)CS2 1891143689 LHDNPJJCDNLNPR-IRXDYDNUSA-N 425.514 2.173 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010405523 ZHJTVLBTUBRMPQ-LJISPDSOSA-N 426.319 2.008 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224093944 PPYGVORYVGSCOD-WBVHZDCISA-N 433.358 2.411 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N(Cc2ccccc2)C2CNC2)OC1(C)C 2243412285 JUDRNNPFKKAXRX-UHFFFAOYSA-N 434.392 2.210 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2250274614 YEMPASASJADSEL-GXTWGEPZSA-N 437.371 2.475 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2255620824 ZTKJEJVGBAPBHX-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630652 NCUYVDKYTJHQCM-ZIAGYGMSSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H]2COC[C@H]21 2266051826 MWGDXEYDTUJWRG-HZPDHXFCSA-N 449.332 2.344 30 10 IEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267002206 WHTNUZPAFOGNMS-UHFFFAOYSA-N 448.373 2.111 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)n1 2267184321 MBDZAAZPXIQRPA-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CC1(C)OB(c2c(F)cccc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2267414869 ULOGIMFMFXXFIA-LJQANCHMSA-N 444.234 2.408 30 10 IEEE CCn1cc(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267492976 XHLRRIXFHHUKNC-JOCHJYFZSA-N 448.373 2.332 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2267516940 LIBMSKRKQQAJLS-ZWKOTPCHSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267597679 WVISVABHVFOFOJ-ZWKOTPCHSA-N 446.353 2.398 30 10 IEEE COC(=O)C1(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267831532 WBXIVYQSNWHVIW-UHFFFAOYSA-N 448.325 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268646392 ZDQZPNDLMLRNBJ-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268647987 UQHGPMPPUBDVDE-HZPDHXFCSA-N 447.341 2.201 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 2296157175 PKDICXNFWSMQGB-IBGZPJMESA-N 442.424 2.034 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315682767 AEAVUSSWNAMADU-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2337062699 RIEYDONPSKJVQZ-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE Cn1nccc1C#C[C@@H](NN)c1cc(Br)ccc1I 2342009249 JQPSQBXBEFMDOD-CYBMUJFWSA-N 431.075 2.343 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCc2cnn(Cc3ccccc3)c2)n1C 2362442582 YZBXXIHVVDETQG-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE CC(C)(C#C[C@H](N)[C@H](O)c1cc(Br)c(Br)s1)S(C)(=O)=O 2365212422 RNNQWQRHRUKZRL-WPRPVWTQSA-N 445.198 2.460 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 29984143 AWUXEZOYGQBHRN-KRWDZBQOSA-N 444.532 2.099 30 10 IEEE C/C(Cl)=C/Cn1c(N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 33333339 XTGAXYHCCSTMOW-XZIFRYKYSA-N 445.867 2.321 30 10 IEEE Cn1nccc1[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 410331036 ZPGURARATOOLOY-OAQYLSRUSA-N 441.557 2.446 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)CCN1Cc1ccccc1 444100304 LEQALUGFWZELGJ-NRFANRHFSA-N 433.491 2.385 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 466102057 JUPHECLMWNEUBB-UHFFFAOYSA-N 447.539 2.244 30 10 IEEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 475577140 ZMRFIEUYAORMKM-UHFFFAOYSA-N 426.517 2.364 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)C2=O)cc1 485992867 VAESUWRJYQDKRT-NHCUHLMSSA-N 432.480 2.207 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)C2)nc1 490967945 FKBBKJKKQONKHL-KRWDZBQOSA-N 442.907 2.402 30 10 IEEE COCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 495183952 ZSSRCEVWMVMWOJ-UHFFFAOYSA-N 443.525 2.120 30 10 IEEE COc1cccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)c1 526693977 DSRAWXVNEPTPKA-UHFFFAOYSA-N 438.509 2.380 30 10 IEEE CCCc1ccc([C@H](C)N(CC(N)=O)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 537048360 CRAKKWGPOZJPDP-UGKGYDQZSA-N 427.593 2.180 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCCCNS(=O)(=O)c2ccccc2Cl)c(F)c1 541760673 LPPRRDICVJMOGX-UHFFFAOYSA-N 445.925 2.139 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 549654149 KUIPLXSRYNSTSC-NRFANRHFSA-N 441.532 2.036 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3C[C@H]3CCCO3)CC2)c1C#N 555386958 SKJIPEWWXWYWIH-LJQANCHMSA-N 438.580 2.430 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4)[C@@H]3C)CC2)c1C#N 558609851 JTSWZTDTRVRHFR-VQIMIIECSA-N 438.557 2.344 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 573607565 SCAUWEQCTLSUCP-UHFFFAOYSA-N 431.562 2.356 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C#N)cc1 574866012 ZZVUEQJDMTZTFR-UHFFFAOYSA-N 428.514 2.145 30 10 IEEE N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 611644418 DTAOCSPZACZSEK-KRWDZBQOSA-N 430.461 2.069 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 615202324 LNQUAOPVFYQRMI-UHFFFAOYSA-N 449.479 2.027 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 727120582 NECLEEGIFZZEIE-OTWHNJEPSA-N 434.581 2.001 30 10 IEEE CN(CCCn1c(=C(C#N)C#N)sc(=Cc2cnn3ccccc23)c1=O)c1ccccc1 729672245 DVZCVQBTJDGSJK-UHFFFAOYSA-N 440.532 2.111 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CSc2nnnn2CC(F)(F)F)CC1 730047762 AJQSBXIJCFEZQB-BWBHSNQOSA-N 448.471 2.190 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c1 734293878 ROQNKWJAUJHOBT-UHFFFAOYSA-N 435.527 2.016 30 10 IEEE C#CCCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 758647126 AIRYPHBHQJJTBX-IBGZPJMESA-N 425.558 2.361 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1F 765545814 XBICMDDMGCFCAX-GOSISDBHSA-N 446.552 2.067 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767749099 JWXVZMOVWDICSX-VKQBIFNOSA-N 449.548 2.435 30 10 IEEE CCn1nccc1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 769866234 RKFSGAFOFAAMTM-HEHNFIMWSA-N 439.563 2.297 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 771643864 PBYVIROZJFDVIF-XOBRGWDASA-N 431.489 2.089 30 10 IEEE C#CCOCCNC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC 807105383 CWHDLOOYXSHWCT-RDJZCZTQSA-N 427.423 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NS(=O)(=O)CC3(C#N)CC3)CC2)CC1 812529999 ITEDYLTULQKHIZ-UHFFFAOYSA-N 426.583 2.073 30 10 IEEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cc(C)c(C#N)c(C)c3)CC2)c1 1124531388 RLKDTGZVJMQENB-UHFFFAOYSA-N 447.538 2.170 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)c2cc(C#N)ccn2)CC1 1128192804 XSOPCBGXHXWTKP-UHFFFAOYSA-N 443.485 2.234 30 10 IEEE C[C@H]1CCc2nc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)c(C#N)cc2C1 1135108681 PMDXSULSTBUVFB-AWEZNQCLSA-N 427.505 2.096 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 1135983465 VLQUYDFUKPRPLY-IRXDYDNUSA-N 426.414 2.335 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1136704793 MRDONSYWINVBIX-UHFFFAOYSA-N 433.555 2.480 30 10 IEEE C=CCN(C(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)[C@@H]1CCS(=O)(=O)C1 1142059489 PVBBNNNNEPPDLA-OAHLLOKOSA-N 425.551 2.174 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCC(F)(F)CC1 1148549897 XHNFPEFARBLSFP-HNNXBMFYSA-N 443.516 2.341 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)NC3CCN(CC#N)CC3)ccc2NC1=O 1160753247 VYZAXGRVMNPCOZ-IBGZPJMESA-N 441.532 2.182 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C 1162510743 OGVFKYZXBBVUMD-RLFYNMQTSA-N 435.546 2.194 30 10 IEEE C#C[C@H]1CCCN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1163597942 HFMPOTYHOWDNBU-MSOLQXFVSA-N 440.569 2.416 30 10 IEEE COc1cccc([C@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)OC)c1 1167674592 LYQIMBNVWRNKHG-SFHVURJKSA-N 431.514 2.018 30 10 IEEE CC1(C)COc2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)ccc2NC1=O 1174932028 XVIZYQMPLQHHQX-UHFFFAOYSA-N 442.497 2.111 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1178460756 QZQKHZUYWXYOIQ-LJQANCHMSA-N 443.511 2.443 30 10 IEEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1178758039 YTJLYMJVVSHYFX-SGTLLEGYSA-N 425.532 2.130 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1203384219 FJTHERGKCUBYFD-WMLDXEAASA-N 425.470 2.324 30 10 IEEE C=CCc1cc(CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc(OC)c1OC 1221553505 INEWFGDMUWLTJZ-OAQYLSRUSA-N 446.592 2.028 30 10 IEEE CCOc1cccc(CN(CCO)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1227630626 BTVVEFRXSTYDJI-JOCHJYFZSA-N 436.512 2.262 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@@H]1C 1286272214 AADFMRUBWIDTCM-CABCVRRESA-N 435.370 2.225 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCn2ccnc2C)c1 1286312078 UFDMIMJZYBMVJD-HXUWFJFHSA-N 447.543 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286407262 SBQAURCHTMJZGY-OAQYLSRUSA-N 430.512 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCSC1 1286415497 CUZJXXVDNCPRAV-JOCHJYFZSA-N 426.542 2.197 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1CCOCC1 1286415857 HOJIYTSKEDWGAR-NHCUHLMSSA-N 427.593 2.382 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2cc(C)on2)n1 1286470913 FKSDVPWMVBYWNQ-UHFFFAOYSA-N 432.488 2.168 30 10 IEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286496612 HDIMYNBCWQRWPZ-LJQANCHMSA-N 447.630 2.268 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286509037 LXETZBWYXYNQQN-DOTOQJQBSA-N 444.557 2.219 30 10 IEEE C#CCSCCn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1286512075 INMPREHTGQEZNC-GHTZIAJQSA-N 430.578 2.372 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)OC)C1 1286552356 MBIXLXSZDXDHJC-MANSERQUSA-N 436.553 2.373 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286593435 NGTDXGIYJAUDEH-IBGZPJMESA-N 430.597 2.319 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2)CC1 1286652319 VKIORPIHICEZHX-IERDGZPVSA-N 433.578 2.198 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286775013 VBABABRPBBWLLL-IBGZPJMESA-N 431.562 2.010 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1286784758 SJEFXPZQNZDFEZ-UHFFFAOYSA-N 436.516 2.241 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286785504 MJHBLLVJKNGZKY-MRXNPFEDSA-N 441.536 2.136 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OC)C1 1286798123 CGLZEBYGFQAFFZ-QZTJIDSGSA-N 432.546 2.018 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[S@@](=O)C(C)(C)C)CCOC1 1288304464 FLFRQDCQNGFNLO-CZPUGAFSSA-N 441.573 2.308 30 10 IEEE Cc1nnc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(C#N)o1 1290732839 BWEFJQPUWVJTCY-UHFFFAOYSA-N 429.502 2.408 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291152923 WLOXKLDPXNIXBT-NXHAUGRDSA-N 437.460 2.226 30 10 IEEE CN1CCC(N2CCC(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1292416764 GYEOHHMLQZJRNY-UHFFFAOYSA-N 432.609 2.312 30 10 IEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1300019579 ZQGKUNLTTJYZRM-NRFANRHFSA-N 449.555 2.212 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1300421313 BPAWBZSMFOYYMG-UHFFFAOYSA-N 431.544 2.402 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(Cl)nc1 1300528512 XJMAWTDHSDEPEF-UHFFFAOYSA-N 443.898 2.362 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)CCC)CC1 1300681930 DZSAXFYKFCVHIL-DEOSSOPVSA-N 438.576 2.454 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2c(C)nn(C)c2C)CC1 1300688298 DDZIQBGIKMLUES-UHFFFAOYSA-N 449.559 2.116 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300766272 YOKPVCYKROXGOA-JOCHJYFZSA-N 425.558 2.103 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C 1300778977 MGEBNWLJRPTGOJ-JOCHJYFZSA-N 430.553 2.421 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300843357 AFRWMIHJSKXWOC-CQSZACIVSA-N 425.375 2.101 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1301506718 PREWOUYCANDPBF-DEOSSOPVSA-N 432.528 2.318 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)C2)c1 1301634248 SDBMTRZZYJYCKW-UHFFFAOYSA-N 430.555 2.270 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)COc1ccc(C#N)cc1)OC2=O 1303804806 CECXCMJNFKXNJA-SFHVURJKSA-N 443.500 2.386 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)CCCS1 1303818528 CNFZVQJIYDHILB-KBXCAEBGSA-N 426.612 2.304 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Br)ccc1OC 1358937071 HKOQLHAPUIBCEL-UHFFFAOYSA-N 432.322 2.403 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1358968053 YJQHZZQKDYHLKN-WOJBJXKFSA-N 428.558 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(CS(C)(=O)=O)CC1 1358982189 NJLGHEHGMLEUFF-UHFFFAOYSA-N 440.569 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(N2CCCC2)CCOCC1 1359022423 ZLUQNLUQOAHOTK-UHFFFAOYSA-N 426.565 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(CC)(CC)SC)CC1 1359044817 PEEFPPYGMYMBTF-QGZVFWFLSA-N 446.621 2.117 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1359082277 DPXGOJPFBBBENK-AWEZNQCLSA-N 439.358 2.023 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359216456 WUTVUWRAULHBHP-HSZRJFAPSA-N 438.580 2.381 30 10 IEEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359237906 RJTFZTHKSOWRTQ-SOLBZPMBSA-N 441.536 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC(N)=O 1359294144 LRQZZIVXNWPSDU-UONOGXRCSA-N 430.578 2.134 30 10 IEEE Cn1cc(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)c(-c2ccc(C#N)cc2)n1 1447594244 IKMSDPOBKWKYGK-LQWHRVPQSA-N 438.557 2.301 30 10 IEEE Cn1ncc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1I 1462326006 MVIMBVAKZWRDGZ-UHFFFAOYSA-N 432.225 2.393 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 1464620579 VSWREZJWMSGDRG-UHFFFAOYSA-N 434.287 2.215 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 1469536241 ZWXJFJOZFGGMTJ-MSOLQXFVSA-N 427.505 2.265 30 10 IEEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882975 ZOOAJLDAZUQVDJ-UHFFFAOYSA-N 435.546 2.117 30 10 IEEE C#CCN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCc2ccccc21 1472070988 PDIROBVOJQMGOT-JOCHJYFZSA-N 431.540 2.445 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CCO1 1473683756 WUFGWGXAZJFPIS-WZONZLPQSA-N 431.533 2.381 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)CCO2 1478418383 PHUHNANAEDJAGV-YZOUICBYSA-N 437.500 2.259 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1478504659 PBVNUONUOZPMDS-BPUTZDHNSA-N 428.352 2.141 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1492249809 DGHGODIPZWJRNR-YADHBBJMSA-N 439.495 2.068 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCCNS(C)(=O)=O 1504381937 QSIJSNMXFFADCB-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1507634787 MRRPLFUYRLXNBG-LJQANCHMSA-N 428.558 2.391 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2C)CC1 1507716055 LZHMJNGHDQNRET-FQEVSTJZSA-N 436.560 2.045 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1507807766 WGLYKSVDXWFWFU-BXWFABGCSA-N 430.578 2.317 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](COC)C1 1507843040 QYFOLCRRNFCDNT-KRWDZBQOSA-N 448.593 2.304 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1507846655 SKJCRQQWWYUOMN-UHFFFAOYSA-N 431.500 2.392 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCOCCS(C)(=O)=O)CC1 1507887684 FHSGQHQYHFFRSG-UHFFFAOYSA-N 434.562 2.383 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1507897440 JEQCXOHBCPIDGO-NQIIRXRSSA-N 438.594 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC[C@@H]1C 1508075206 WPKNJESDXKHGBT-AWEZNQCLSA-N 447.561 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1508080284 NDSMBOZVFSSITH-SFHVURJKSA-N 428.443 2.432 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1508098246 NWWZICIFGNMSFQ-RBQGVIKNSA-N 431.562 2.367 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1508130338 HERIUMPEMPCTLX-LJQANCHMSA-N 445.589 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1508137163 KJPOBDQBNKITKQ-SFHVURJKSA-N 446.621 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)S[C@H](C)C1 1508143425 KZMPVNAMXRJXSJ-CALCHBBNSA-N 438.623 2.071 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N(C)C 1513215180 AMVWUHFSNVIKFO-IBGZPJMESA-N 430.578 2.451 30 10 IEEE CN(CCC1CCOCC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517280110 KBLZBQFDJNFTBC-XUTLUUPISA-N 428.537 2.325 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1521120949 DGWOYEZXWDELTJ-LJQANCHMSA-N 426.496 2.368 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1526235086 CXCYOOACBKZDBL-APWZRJJASA-N 434.562 2.089 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 1535625480 BKBIMIPEVYHDFJ-AWEZNQCLSA-N 439.541 2.474 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccn1C(F)F 1538983493 SXQPRSQGVVVPPT-ZDUSSCGKSA-N 434.472 2.446 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1539210794 DWMCOZJXRKEQFW-QGZVFWFLSA-N 449.483 2.073 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(OC)C1CC1 1539246179 PTLJRHDGKNHMBQ-JOCHJYFZSA-N 426.542 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H](O)C1 1539305178 SBAWDFLFRRHOSN-UYAOXDASSA-N 440.569 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(OC)C2CC2)CC1 1539483267 UXRHUKVVBXOFHU-XMMPIXPASA-N 436.560 2.045 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1 1540164391 NMNVYGIPSQZQIB-UHFFFAOYSA-N 426.550 2.198 30 10 IEEE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 1540523035 RNQUOCBLHMCKSQ-UHFFFAOYSA-N 431.456 2.377 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC)c1 1540814912 XNCXNEFTVRTZIA-OAHLLOKOSA-N 431.942 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540897975 WZXFBDYUEFPWLK-QZTJIDSGSA-N 439.626 2.082 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)C1 1541201890 OWWYBZQIWXHNCB-ZWKOTPCHSA-N 448.568 2.284 30 10 IEEE COc1cc([C@H](C#N)NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)cc(OC)c1OC 1542479231 DNBLMLAXVGFDIG-GJZGRUSLSA-N 437.493 2.323 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccc(C)n(C)c1=O 1543310645 DWRWHGAYRBYZIU-UHFFFAOYSA-N 437.935 2.494 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1548336475 YKRDSBSLSJMDBC-VQIMIIECSA-N 446.577 2.007 30 10 IEEE CCSCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1552618865 NJHOMZGPELXBCV-UHFFFAOYSA-N 437.577 2.415 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)C1 1556323203 WKVNZEJBMJPCCT-NSHDSACASA-N 432.278 2.252 30 10 IEEE C=CCn1c(SCC(=O)NCc2nc(COC)n[nH]2)nnc1-c1ccc(Cl)cc1 1557388202 RHDRBQCFLBSCCP-UHFFFAOYSA-N 433.925 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)c1[nH]cnc1CCN2C(=O)c1cccc(C#CCO)c1 1557591246 BDDGSWNLPKWUHJ-DEOSSOPVSA-N 436.512 2.288 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1564547801 WHFYVLUFAOHYBV-SOLBZPMBSA-N 427.505 2.409 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1588069246 KCSRDHNZMAUTKD-SFHVURJKSA-N 440.525 2.434 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1588876745 HNGDMLRYFPNZGD-KNQAVFIVSA-N 429.952 2.446 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCCCCC2)CC1 1588913251 DQGXCRNMIMHKED-UHFFFAOYSA-N 435.576 2.182 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCC(OC)CC1 1589134914 QYBDIDDEHWWBAS-HSZRJFAPSA-N 430.597 2.298 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1589528215 DLCCSRZPMNUJCG-CTNGQTDRSA-N 430.597 2.175 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCCOC)CC1 1594167395 AZVPXPBZJOJBLA-UHFFFAOYSA-N 440.548 2.385 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCSC1 1595243759 DTMAEBYYFFHKJB-NRFANRHFSA-N 431.562 2.210 30 10 IEEE C=CCn1c(N2CCN(Cc3ccccc3OC)CC2)nnc1[C@]1(OCC)CCOC1 1595452851 DTEAUWJSIFYKDX-QHCPKHFHSA-N 427.549 2.447 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1595816907 HRYCAZTVWPOKJS-HOCLYGCPSA-N 443.363 2.004 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1595884803 UBXGROJJABGZSG-APWZRJJASA-N 428.624 2.495 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1596781364 AWUIFIITVGAXBU-CVEARBPZSA-N 433.557 2.365 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)C2)c(F)c1 1606642287 RVBFFSAMQOATFB-KGLIPLIRSA-N 430.871 2.068 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)N2CCOCC2)CCOC1 1610337314 QXIVZVZSSIJIKZ-GCJKJVERSA-N 434.585 2.168 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1611765063 DLENNMXYCDIOSE-VBKZILBWSA-N 442.911 2.112 30 10 IEEE Cc1ccccc1-c1nnc(N(C)CCn2cccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1612262380 ZZALBZVJCFVPQD-LSDHQDQOSA-N 446.515 2.113 30 10 IEEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1612442765 MRSZHCJPPGOVOS-WIYYLYMNSA-N 445.593 2.296 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1618359894 IOTPVLWZBQMPCX-QGZVFWFLSA-N 441.513 2.477 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1618365169 IRWNYKUOKYTYNT-QBEKEKFNSA-N 428.537 2.152 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1620296501 QIWOWQGLHVDXOV-KRWDZBQOSA-N 441.561 2.038 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(C#N)cc2)c(F)c1 1622346579 HAUNIKRYRUABRD-UHFFFAOYSA-N 425.507 2.370 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OCC 1622506741 YEJHHQRZYKNXFE-CYBMUJFWSA-N 434.308 2.495 30 10 IEEE C=CCc1ccc(OCC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)c(OC)c1 1626314211 YIADRPXSPAHBBV-SFHVURJKSA-N 432.517 2.063 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ncccn3)C3CC3)CC2)cc1 1626485611 DBFWVTPPCZJIHO-IBGZPJMESA-N 425.514 2.016 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c1 1627157036 KVBITGQJCGKEPB-JOCHJYFZSA-N 444.528 2.426 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 1633149542 AQQGQIXKJINFOC-SJLPKXTDSA-N 438.427 2.263 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC4(CC3)CC(C(=O)OC)=NO4)n[nH]2)c1C 1633923445 UQYXJBOIMDCSOM-UHFFFAOYSA-N 426.477 2.000 30 10 IEEE C=C[C@H](COC)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1634544267 YWXSTSFDFVDMMF-MRXNPFEDSA-N 430.509 2.292 30 10 IEEE C[C@H](CC(=O)NCc1ccc([Si](C)(C)C)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1635402990 BXNIGTAZUJJWAI-OAHLLOKOSA-N 429.618 2.365 30 10 IEEE C#C[C@@H](CO)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1637740226 FPBZVJJTRJILSS-ZDUSSCGKSA-N 427.309 2.447 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@](C)(C(F)F)C3)nnc12 1638947518 CHFVYJRVHJRAIO-HXUWFJFHSA-N 449.483 2.205 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@H](C)O)cc21 1645806576 AWGXDZROFKNDPD-MGPUTAFESA-N 428.514 2.197 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cccc(OCC(F)(F)F)c2)c1=O 1652998376 OSUKCDNDOLRQPS-UHFFFAOYSA-N 439.390 2.213 30 10 IEEE COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1654140278 UGVSRWUNAOUTRD-GHTZIAJQSA-N 441.528 2.427 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(CCCF)CC1)CCCC2 1655232787 STCIFOXNKJBWAQ-GOSISDBHSA-N 431.556 2.333 30 10 IEEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(=O)OC)C4)C3)cc2n1 1675017525 BZIKLSCUJIIDPE-LBKMDBTOSA-N 446.529 2.243 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1679249664 UXMKYBRMKDXOCG-UHFFFAOYSA-N 428.533 2.145 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCN1C(=O)OC(C)(C)C 1684109595 KMYSPZKEJHKXNZ-ZWKOTPCHSA-N 445.568 2.220 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)C1 1685152377 CLCISHILAJPVHL-RBUKOAKNSA-N 434.581 2.189 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCCS(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 1686642721 SGAUWZFSFRRPQP-UHFFFAOYSA-N 447.948 2.302 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@H]2C1 1689878927 ZLBMNRFETLRIHQ-CQSZACIVSA-N 433.310 2.480 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1689884327 RHSKCHXFEKOVEA-GOSISDBHSA-N 430.578 2.091 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCCS(C)(=O)=O 1690098798 VRCDEJVWMVBEFS-UHFFFAOYSA-N 427.530 2.014 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2(O)CCCCC2)n1 1690108978 BJGLPYRFHPNNNK-HXUWFJFHSA-N 442.564 2.308 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(OCCC)c2)CC1 1690122408 PXRUTAIZBDGVBY-NRFANRHFSA-N 436.560 2.016 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2OCCC2(C)C)CC1 1690148812 VWIBVKFYBKNORK-FQEVSTJZSA-N 436.560 2.045 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690311153 DSPIKSBYGBZTGF-XMSQKQJNSA-N 430.553 2.250 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1691573205 YZGNGJJTQGYXBW-XMSQKQJNSA-N 425.537 2.130 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ncccc1F 1694326235 HBOYWOAPUWCWMO-FQEVSTJZSA-N 433.463 2.252 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1696995867 GEMZYJGORIPSPX-GCJKJVERSA-N 440.548 2.362 30 10 IEEE COCCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697923073 KTEWEQCGBYKUCG-IHPCNDPISA-N 446.596 2.241 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1705558043 IFXFPINYILWIFD-DNVFCKCGSA-N 447.649 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1nccn1C(F)F 1705596132 UBRBOWUSYQNODL-UHFFFAOYSA-N 427.415 2.109 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCCC)CC1 1705640954 LEOFXEPIOYYUKC-UHFFFAOYSA-N 431.544 2.251 30 10 IEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1705683408 HCBSVJUXICZHHM-LBPRGKRZSA-N 434.294 2.249 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1705819832 VLRMRJNMTHEGPX-IBGZPJMESA-N 444.561 2.085 30 10 IEEE C=CCCCn1c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nnc1C(C)(C)C 1705824213 JMRZHIKDOJHOFS-UHFFFAOYSA-N 440.596 2.495 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1710166128 DHABTZIPLPZRPL-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1710838065 GACVKPYNORABNN-LJQANCHMSA-N 446.502 2.399 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCOCCS(C)(=O)=O 1722293658 SFRJKSROLCYXKN-MRXNPFEDSA-N 443.529 2.119 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1722455251 RRMBXVZKBPEHBG-UHFFFAOYSA-N 448.980 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722468048 FUABKVNFSJHMPI-IHFIDZABSA-N 433.597 2.494 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1722531109 HIIWLMADAFLYMM-UHFFFAOYSA-N 449.577 2.064 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722701507 RYPCIUWNAIGWMZ-UHFFFAOYSA-N 438.576 2.249 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1722868915 MMJZNSDVKINXQF-BRWVUGGUSA-N 426.512 2.124 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722902521 WLWJUVDLKFTPEY-FTHOYRMOSA-N 442.564 2.355 30 10 IEEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1)C(F)(F)F 1723902342 CMPDLBIRBIEWES-CQSZACIVSA-N 445.453 2.066 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCCO1 1726636988 DRLDXAUDKQSNRY-XLIONFOSSA-N 438.532 2.069 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1728544416 LNKCKTZPTSEHCU-JKSUJKDBSA-N 434.504 2.357 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729095159 LHLCOONOERGJQW-VRTBNJGNSA-N 430.553 2.355 30 10 IEEE COCC1(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CCOCC1 1730519855 QUVBTOPLGNPCPG-XMSQKQJNSA-N 435.569 2.358 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C)nc1 1730845722 OXKNDHHJIDCRKD-INIZCTEOSA-N 449.515 2.289 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1740608280 NKNVGQHVJCVCDL-JTSKRJEESA-N 433.553 2.268 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1740628238 WSFKXKMQAVNXIL-INIZCTEOSA-N 433.578 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@H]1CO 1740635650 XTEVTNIGBWZKBT-NRFANRHFSA-N 449.555 2.026 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)N(C)C)CC1 1740691865 AWIATSSNAKLYCZ-MRXNPFEDSA-N 431.382 2.413 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](COC)C1 1740714303 ZEENEPAIDVPCRQ-QGZVFWFLSA-N 432.546 2.180 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740787061 YUQLSFCPCMICIS-UHFFFAOYSA-N 448.612 2.484 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C(C)(C)C)CC1 1740833926 DRVRRHWSKPTEFD-UHFFFAOYSA-N 425.537 2.490 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740862369 QLXGZPDWJYVVIY-IAGOWNOFSA-N 442.568 2.414 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740938150 ZMALCEJEZOXPHF-ROUUACIJSA-N 434.562 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(C)C)C1 1740992097 AKZXSQMTDCLLFA-HXUWFJFHSA-N 448.589 2.340 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C[C@@H]1C 1746375226 FMDYKZAKQQANNJ-UFYCRDLUSA-N 437.592 2.456 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748824289 NFDAOTJBCALWTI-RRFJBIMHSA-N 448.511 2.386 30 10 IEEE C=CCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749439656 FZGVEYRLAKWMJZ-NFBKMPQASA-N 433.597 2.443 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1749487458 DQMVBHDCGALFAT-KRWDZBQOSA-N 439.969 2.129 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)SC 1750148150 NQYGHHSGQKRIJX-DEYYWGMASA-N 444.561 2.289 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2Cc2nccs2)cc1 1750383754 BBKVFAFZFMAJSF-UHFFFAOYSA-N 437.529 2.325 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760158638 OZICXVFHYYXNCF-LJQANCHMSA-N 432.546 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1760269842 DNDDJWJGNOUDHH-UHFFFAOYSA-N 432.569 2.110 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760283702 YBGTTYIGSYVYAZ-UHFFFAOYSA-N 427.534 2.227 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1760284330 KFAYVJLVPDLZGS-SFHVURJKSA-N 427.574 2.228 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760351538 HBDVFZVRMVWCPU-GOSISDBHSA-N 426.521 2.102 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1760400775 NGLZPKGKGCCYNP-IBGZPJMESA-N 443.573 2.278 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760407498 FPSOUPXIJHYMBA-MOPGFXCFSA-N 430.597 2.273 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1770077115 QEJGOHQPCWABAD-FQEVSTJZSA-N 434.500 2.451 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1770379183 FRZPWEPYDFRAJQ-UHFFFAOYSA-N 434.591 2.040 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCOC[C@H](C4CCC4)C3)n2CCOCCCO)cc1 1770740856 XKMKICLAMGJQEE-OAQYLSRUSA-N 425.533 2.469 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1771531736 AKVZUEJPHXUDSZ-AEFFLSMTSA-N 445.449 2.430 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cnn(CCN4CCOCC4)c3)n[nH]2)c1C 1850071388 RKYQZROPIUWGKT-UHFFFAOYSA-N 438.536 2.247 30 10 IEEE Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)Cc4ccc(C#N)cc4)CC3)nn2)cc1 1850882872 HDFRFZHEZVLZIH-UHFFFAOYSA-N 428.496 2.411 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)n1 1852452254 TZDGDAQIVWAVPJ-NHCUHLMSSA-N 438.528 2.012 30 10 IEEE Cn1ncc(C#N)c1NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1852635363 FUCZMFVVXZXZNZ-UHFFFAOYSA-N 427.818 2.120 30 10 IEEE Cc1ccc(S(=O)(=O)CCCC(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855870321 QDBLGYHFYBKKIY-IBGZPJMESA-N 431.558 2.160 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2c(Cl)cccc2Cl)CCN1S(=O)(=O)CC#N 1856047231 DLVLJSMIRPYMIJ-UHFFFAOYSA-N 432.329 2.229 30 10 IEEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)Cn3c(=O)sc4ccccc43)C2)CC1 1856983445 LRZMHLIKBAYKOJ-QGZVFWFLSA-N 426.542 2.454 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1Cl 1858336005 RBNWYJJWBGVIDR-HNNXBMFYSA-N 439.946 2.262 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc1OC 1862633344 KQAWDKVHSCNHBM-FQEVSTJZSA-N 441.436 2.393 30 10 IEEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN(CCO)CCO 1870478034 LHAQTVBFYKFQJR-UHFFFAOYSA-N 440.581 2.326 30 10 IEEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1871146603 QGOBXJXBUIZBLU-UHFFFAOYSA-N 440.544 2.340 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521158 TURMUVDVVOOXPP-UHFFFAOYSA-N 426.525 2.299 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871716817 RKXJBZFMGCUEPV-UHFFFAOYSA-N 433.516 2.098 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCCCC)nc1C 1872706832 QISRVWNPQODZAB-UHFFFAOYSA-N 437.478 2.115 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C[C@H]2COCC[C@@H]21 1886248094 CAMVXOATADJTEN-KEYYUXOJSA-N 430.457 2.403 30 10 IEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CCC5(CC4)C[C@@H]5C#N)C3)sc2c1 1891039986 JIYWZDQIZUNDTE-CQSZACIVSA-N 430.555 2.288 30 10 IEEE C=C(Br)CS(=O)(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1 2006231007 LBSMBOUSPAFFOJ-UHFFFAOYSA-N 427.361 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2060825972 OLRPLJMFMSFHPY-SFTDATJTSA-N 441.576 2.212 30 10 IEEE C=CC[C@@H](CO)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 2202058499 VJOCHZYRWMWGKI-MRVPVSSYSA-N 428.146 2.257 30 10 IEEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2256055632 CGQJHKFDQSUHPX-ZDUSSCGKSA-N 434.346 2.197 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256921732 ACRKEFZNUQIDQO-RHSMWYFYSA-N 429.278 2.367 30 10 IEEE CCn1cc(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267172409 WRFUZZUQRPBIST-UHFFFAOYSA-N 448.373 2.330 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267493108 GPZAHVDGKZIAMN-HOTGVXAUSA-N 448.373 2.237 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504101 NLNPVXLYLNWJNX-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267520939 NGTDYSOHHVWBFC-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)OC1(C)C 2267527990 ADQRYYXSQJWMNF-FHWLQOOXSA-N 436.365 2.492 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267588791 QWPBUMZWUJUASR-WFASDCNBSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268642614 HABYRHJCAZAJIF-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE Cc1nc(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268654191 WFQYTJOFUJTQOL-UHFFFAOYSA-N 449.361 2.415 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274222380 QHNXGRWDKHKPMQ-HNNXBMFYSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@@H](O)C#Cc2ccc(Br)cc2)C1 2278804410 XVQKGPSRHZXVPX-JKSUJKDBSA-N 444.347 2.196 30 10 IEEE C[C@@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282869055 WPPMDVZSHYEDOO-OAHLLOKOSA-N 425.356 2.053 30 10 IEEE C[C@H](C#CC(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302413873 AMDKFCCJLHRMOC-MCFFVMPBSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H]2C[C@@H]21 2312860575 BWNARIPASDLIFB-UXLLHSPISA-N 431.342 2.442 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2322309620 UYXMIJPNYOJJCA-UHFFFAOYSA-N 439.337 2.285 30 10 IEEE COc1ccc(CCc2nnc(SCCO)n2N=Cc2ccc(O)c(O)c2)cc1OC 2326223041 UQYGXBNHMWWXIJ-UHFFFAOYSA-N 444.513 2.458 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203569 ZMGSHMFGDSNWCR-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)n1C 2337285066 JEGGLLDVNXMVOZ-QFBILLFUSA-N 438.381 2.421 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N[C@@H](C)c3ccccc3)n[nH]2)cn1 59886886 PRBGISJIUVPLFR-ANKPHQHTSA-N 428.522 2.063 30 10 IEEE C=CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169902928 HXFLLXLKNLIKJL-NRFANRHFSA-N 447.491 2.361 30 10 IEEE C=CCC[C@@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 320238449 GEUOWEIVSXSWOJ-VIFPVBQESA-N 428.146 2.399 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1cccs1 460547104 WSDFSSBOVAGELK-QGZVFWFLSA-N 439.607 2.318 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)n(C)n1 470205449 DOZWVHDSSFZZTN-GOSISDBHSA-N 429.546 2.205 30 10 IEEE COc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(C(=O)N2CCCCC2)cc1OC 505009790 XOMRTTBVYBXSKU-UHFFFAOYSA-N 442.516 2.421 30 10 IEEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 507553254 UBFLKSUUIVQEAT-UHFFFAOYSA-N 431.543 2.158 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 520461637 OBLABSLBYKMLDE-WMLDXEAASA-N 435.550 2.433 30 10 IEEE CCN(CC)CC[C@H](CO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 535835123 IZUVEDIUKJQVNI-QGZVFWFLSA-N 429.521 2.232 30 10 IEEE COC(=O)c1nc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)sc1C 586864538 XVLVDCGCFMARQR-OAHLLOKOSA-N 430.461 2.229 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(F)c2)c1=O 603800841 YQBGSQZAZKBGPU-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 619683535 HPYUQTUFSDPSEX-UHFFFAOYSA-N 446.504 2.339 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CCN(C)CC1 679924871 HKZWHLNXFJUZQE-UHFFFAOYSA-N 446.576 2.453 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@H](O)Cc2ccccc2)c1 729560588 ZRTQDXOURJOUHC-FCFMXISVSA-N 430.530 2.225 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)n(-c2ccccc2)c1C 731731387 GETZYVCBRFIJOP-UHFFFAOYSA-N 446.529 2.165 30 10 IEEE Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664028 KGORWJBTYNXHFL-FQEVSTJZSA-N 438.553 2.286 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F)C(C)C 744429906 RANYOKAFJAVZCK-ZWKOTPCHSA-N 438.569 2.496 30 10 IEEE CCc1ccc(C(=O)NCc2ccc(OC)c(C#N)c2)cc1S(=O)(=O)N1CCOCC1 746876140 BBGMRRNTBXDXNC-UHFFFAOYSA-N 443.525 2.080 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 753317537 LPUUNRYGKGIJDR-GXRSIYKFSA-N 429.586 2.119 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CCCCC1 760405533 HLTGRSGSGRVZEW-CYBMUJFWSA-N 425.457 2.238 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1 765357722 CVHRWYAUHJQOOA-IRXDYDNUSA-N 446.529 2.034 30 10 IEEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 780206645 SZBIXVVFJRDPKE-UHFFFAOYSA-N 445.545 2.028 30 10 IEEE Cc1oc(NC(=O)COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)c(C#N)c1C 780255093 OMWILNRHLRMRJT-QFIPXVFZSA-N 441.440 2.335 30 10 IEEE COc1cc(S(=O)(=O)NC(=O)c2cccc(C#N)c2)c(OC)cc1Br 781701123 PBHAFAHRIHSMJX-UHFFFAOYSA-N 425.260 2.457 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 804190284 TWFYZHMWUIGMJV-JXFKEZNVSA-N 429.583 2.215 30 10 IEEE C=CCCO[C@@H](C)C(=O)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 810732441 KAXLXGMIPJVRCF-QMMMGPOBSA-N 425.232 2.283 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 914680208 RUTBPQYMDSYDNG-HNNXBMFYSA-N 442.493 2.464 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(N(C)C)cc3)n2)s1 1084515336 VDGFWEISCIMDPJ-UHFFFAOYSA-N 431.551 2.461 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 1125086092 BFJKWYYFANLJDL-UHFFFAOYSA-N 432.550 2.459 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc(Cn3ccnn3)c2)cc1 1125135695 LSCPGTQSQAEAGU-GFMRDNFCSA-N 438.513 2.392 30 10 IEEE N#Cc1cc(Cl)ncc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1128605967 IBPXNYHRXGDJJV-ZDUSSCGKSA-N 446.872 2.182 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)c(N(C)C)cc3C#N)C2=O)cc1 1129436619 SVMQXJMPPJVVKQ-HSZRJFAPSA-N 435.484 2.347 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)cc1 1136114442 FHYCEZISHMIVKF-UHFFFAOYSA-N 436.493 2.389 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)CC1 1140132280 BRQCSQORFNNWQE-SFHVURJKSA-N 437.569 2.200 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1141570803 QGAUKNFHVDDWMU-IEBWSBKVSA-N 442.516 2.349 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)ccc2c1=O 1142250714 FMEAANFFMHPNKT-QHCPKHFHSA-N 434.521 2.140 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1143719771 GHHDCSWOQJOYAC-UXHICEINSA-N 427.549 2.146 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCc3nc4c(s3)COCC4)CC2=O)cc1Cl 1157374788 LHJCASATDPUFHZ-ZDUSSCGKSA-N 430.917 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCN3C3CCOCC3)C2)C1 1178942672 XUJAXRFGSSMCHS-MGSYBHFQSA-N 432.565 2.143 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(c3ccc(C#N)cc3F)CC2)CC1 1190743674 PYQMDMRQQMVMSZ-KPRXVCGWSA-N 433.524 2.055 30 10 IEEE CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)cc1F 1193305262 GHFLYUUJYIAYGK-UHFFFAOYSA-N 437.518 2.048 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)CC1 1196779995 WRRXKKPHGILJJF-UHFFFAOYSA-N 437.562 2.498 30 10 IEEE N#Cc1ccc(OCC(=O)OCCCn2nc3ccccn3c2=O)cc1Br 1265339798 UEVPDQFACRTBBK-UHFFFAOYSA-N 431.246 2.142 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286397468 ZOLLKFNRFLGMHY-QYZOEREBSA-N 436.578 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286406621 ADOJBHGZTQRVEY-CMKODMSKSA-N 449.559 2.254 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CC1 1286437533 INLFYANESPTLAO-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1286446107 DORDFNWXJUFBLU-CABCVRRESA-N 433.603 2.269 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)oc2ccccc12 1286466683 INVZYPQOZPCHOI-QGZVFWFLSA-N 442.541 2.369 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(COC(C)(C)C)on2)CC1 1286482505 UDKWDZODPRXRLW-UHFFFAOYSA-N 449.559 2.371 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(SC)CCOCC2)CC1 1286489675 BRJOVNBEXPUNFT-UHFFFAOYSA-N 442.589 2.151 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286613376 YTEOVDDOAWNKNF-HXUWFJFHSA-N 443.548 2.018 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1286731499 PEQHCDKPMKLPFK-BETUJISGSA-N 428.484 2.052 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1286788339 UXGFPWFHUWSKCG-IAGOWNOFSA-N 443.552 2.365 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1297653309 HIECRQXDONZHNM-INIZCTEOSA-N 429.546 2.423 30 10 IEEE C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN(C2CC2)C1 1298642349 ZHEJHHCXRNJQJD-KRWDZBQOSA-N 432.590 2.228 30 10 IEEE Cn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CCO2)cn1 1298825357 WSENJHZUYXFUJH-GOSISDBHSA-N 443.458 2.410 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1([S@@](C)=O)CC1 1300657270 JIIDFUDQAZBNCV-WJOKGBTCSA-N 438.557 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2sc(C)nc2C)CC1 1300720004 YWZHVJZYMLDOOA-UHFFFAOYSA-N 435.557 2.428 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCCn1cc(CO)nn1 1300807113 GJHGGWJIOQYPEH-XMMPIXPASA-N 449.559 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300896565 HBJSRPFPYPLMAO-QUCCMNQESA-N 432.569 2.134 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300912787 LRHIWKRZUHWTPT-JKSUJKDBSA-N 444.502 2.285 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301246679 VUTIGYJWNZSWAX-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1301391832 YQVIQGGXASCMMN-QGZVFWFLSA-N 435.594 2.150 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(C)C)CC1 1301492548 JYDVXTSNHSHZFF-UHFFFAOYSA-N 435.536 2.095 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1301558464 VWPURFPHOFAEAI-ZGXWSNOMSA-N 433.597 2.451 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(CC(C)C)c2C)C1 1301566060 JMGKDPDIISDCNP-FQEVSTJZSA-N 441.580 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cc(Br)c[nH]1 1301596779 YJAMQDXANSJJDJ-UHFFFAOYSA-N 440.327 2.114 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1301887039 CRQJSAGMIQEMSO-SFHVURJKSA-N 432.475 2.009 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1303329386 BRZVGOGMKOYTDZ-WMZHIEFXSA-N 438.532 2.262 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC(C)(C)O1 1305204882 DCLXUBRPELLZST-SEPYTNNBSA-N 441.532 2.272 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)CC1 1313424132 MHCIWTDYLWORAY-UHOSZYNNSA-N 432.565 2.336 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1314646911 GPPMSLZXHLBFPC-AVRDEDQJSA-N 443.502 2.398 30 10 IEEE CO[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315728082 YYQZWYNVMAWFCG-DMEQXSTQSA-N 428.537 2.323 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1316252321 WBDVVCSQERITEA-DUXKGJEZSA-N 441.532 2.395 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3cccc(F)c3F)c2=O)cc1[N+](=O)[O-] 1319420775 HKZSGKKNXAGXNZ-UHFFFAOYSA-N 440.387 2.121 30 10 IEEE C[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(C#N)cc1 1349973754 ZXJDXKUDUGIOQC-SOIKWTOOSA-N 433.530 2.017 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1358917758 ZYEZSPGAWVOZJP-GOSISDBHSA-N 438.532 2.225 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1358931158 QKORXRKPONCEGX-UHFFFAOYSA-N 439.535 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC(F)(F)F 1358971915 NHSZBBAQFMYGDI-UHFFFAOYSA-N 440.447 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1358980056 GXWHPSNPEAXIAH-UHFFFAOYSA-N 425.418 2.388 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1CCCO 1359001768 CRXKIOAYUBACKY-QGZVFWFLSA-N 449.397 2.352 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCn2ccnc2C1 1359020073 QJKCVCSZOIZMCM-QGZVFWFLSA-N 435.488 2.398 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359055654 LDEZGJOEKPFNMK-UHFFFAOYSA-N 425.624 2.162 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359057973 OMFUVVZZNJOADX-XLIONFOSSA-N 441.557 2.262 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359098407 AQMGHFOIEAPNKB-LPOZWGFCSA-N 444.624 2.201 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1359245249 IEFNEFAXPDZNCG-CVEARBPZSA-N 439.582 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1359293971 GJXZEVLCQMBQAG-QFIPXVFZSA-N 429.521 2.270 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1359515720 DNUXGZIQUNKUNY-SJORKVTESA-N 430.578 2.439 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(C)(C)Cc3ccc(C#N)cc3)C2=O)cc1 1439498227 INBJLBZUGAKSIJ-XMMPIXPASA-N 434.496 2.471 30 10 IEEE COc1c[nH]c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cc1=O 1441735798 JNJCRIRCUUKVCT-FCDQGJHFSA-N 432.502 2.229 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1441981124 APICRMKIUFZVBJ-MRXNPFEDSA-N 429.521 2.126 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3ccsc3C#N)CC2)CCCC1 1453389609 LWUUWFMNGSGUJI-UHFFFAOYSA-N 440.573 2.362 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(OC(F)(F)F)cc2)c1=O 1459209528 GJBXPTOFZYEYCZ-UHFFFAOYSA-N 425.363 2.170 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cc(I)nn2C)c(C#N)cn1CC 1460987681 PBUWMSHMMYGKPA-UHFFFAOYSA-N 441.229 2.147 30 10 IEEE N#Cc1ccc(F)c(CNS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 1463174768 FKHUZZDBSFOCAY-LJQANCHMSA-N 447.488 2.154 30 10 IEEE C=C[C@@H](C)ONC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1469733849 VOURIAORFQBXGQ-GOSISDBHSA-N 429.542 2.429 30 10 IEEE CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)NCCn1cnc(C#N)n1)c1ccccc1 1470101969 FZFUTXKJDPLNPB-QGZVFWFLSA-N 427.509 2.495 30 10 IEEE C#CCN(C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)C1CCN(C)CC1 1470145383 XZAPUGXOFOZAPG-DEOSSOPVSA-N 437.544 2.151 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CC2=O)cc1Cl 1471525319 HVJQECFBIUVWOI-BXKDBHETSA-N 425.741 2.239 30 10 IEEE COCCOc1ccccc1N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1473253175 FKJDMTXHCYSVHQ-UHFFFAOYSA-N 433.508 2.133 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)C1 1473794409 MLXCFAKJSCPTII-KKSFZXQISA-N 432.546 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1C 1507527997 KOIVQJBHVLYJTH-IXDOHACOSA-N 430.578 2.369 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1507547039 MITARVZEHBJWQL-KZNAEPCWSA-N 439.626 2.326 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507558097 VLHCUUDUSXWXFM-RTBURBONSA-N 447.609 2.347 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CCC1 1507711113 NXSCFENRMUVKFN-RQZFFVEVSA-N 444.557 2.178 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2=CCCOC2)n1 1507716590 MBTJQAGSZVOKLG-UHFFFAOYSA-N 435.532 2.113 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2c(C)coc2C)CC1 1507739224 BWARJMBKIGQBJR-UHFFFAOYSA-N 432.528 2.488 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21)C1CC1 1507988749 VKXZOANRHZODFD-IAGOWNOFSA-N 444.605 2.494 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1508017051 HRSIQRVOQWEMDN-RTWAWAEBSA-N 436.560 2.023 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 1508028250 SHDOVEPOFVXUJP-GOSISDBHSA-N 425.537 2.227 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1508061828 YOBREPMWFFRHOD-UHFFFAOYSA-N 432.532 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)C[C@@H](C)C1 1508079600 ADJSSCPLEXEUAI-HZPDHXFCSA-N 445.593 2.023 30 10 IEEE CC(C)(C)C1=CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508477599 PRXCYHCWMHCBEV-QQMHEVNUSA-N 440.548 2.491 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(N(C)C)CCSC2)CCOC1 1509792131 TZKGUZHCNGTVBO-DUXKGJEZSA-N 436.626 2.494 30 10 IEEE CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1516816367 MNSYHJGXETZPKU-RTBURBONSA-N 445.545 2.014 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCCC(=O)NC1CC1 1517108348 FDCJSDYIWMQFBC-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1517350372 DJWAXMRLBUNDLL-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518969040 WGKFAEKNUOZRFU-MSYCTHLASA-N 433.516 2.266 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1519296180 OIVMELRFLRNIEB-TXTKFYIRSA-N 448.612 2.489 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@H](C)O[C@H](C)C1 1519404554 NALVFAQKILVTDP-SLHNCBLASA-N 434.585 2.240 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)cn2)[C@@H](C#N)C1 1532608044 TXLLNCFKQNGNHY-LBPRGKRZSA-N 442.257 2.271 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(C(F)(F)F)CCN(CC)CC2)ccc1F 1534069784 FIOZIMLJTXJDEB-UHFFFAOYSA-N 437.459 2.437 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1539213115 WAFJWBQFPMCVCT-MRXNPFEDSA-N 431.905 2.262 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1539215379 AQSYKDBCFDRNFD-SFHVURJKSA-N 445.589 2.497 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1539337586 LJCYUAAENHPVOU-NRFANRHFSA-N 449.603 2.184 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1539371736 YEOMUAOFNXQLBC-LPHOPBHVSA-N 430.530 2.075 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1cccs1 1539417170 YEULDVPJIVYIHW-SJORKVTESA-N 436.603 2.207 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCN2CC)CC1 1539434263 GETQXHLRWDVMME-KRWDZBQOSA-N 446.397 2.275 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ncccc2N(C)C)CC1 1539461269 CLOSTCTVMYNSMB-UHFFFAOYSA-N 449.534 2.261 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1539599435 FLJGONLUKVAVHC-CHWSQXEVSA-N 433.372 2.093 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCN1CCOCC1 1539634265 AGRFHBPEIDXKCW-IRLDBZIGSA-N 426.565 2.014 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(C#N)c(Cl)c2)CCS(=O)(=O)CC1 1539757543 YSSKFKLKOVGXJU-UHFFFAOYSA-N 426.922 2.365 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1541115707 DGKCBZRTLRQCEP-WMZOPIPTSA-N 448.568 2.404 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CC=CCC1 1541680653 AMNUWWXWTDNCED-OAQYLSRUSA-N 449.559 2.128 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1545091435 GXEOKRBXCGGPPU-IRXDYDNUSA-N 439.564 2.436 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1546587053 CJOPNGCVFWPBML-LJQANCHMSA-N 438.532 2.139 30 10 IEEE CCN1CCN(CCCCn2c(CC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1547729978 AHTGZBKFJJQUHW-JOCHJYFZSA-N 442.656 2.071 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)nc2O)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367674 DRHIXOORYWDPCA-KRWDZBQOSA-N 447.417 2.063 30 10 IEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1c(C)noc1C 1548369579 VCVHSRYUKDNZPC-INIZCTEOSA-N 435.406 2.259 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 1557129535 HWMFQWUPKXQNAQ-HNNXBMFYSA-N 428.514 2.405 30 10 IEEE COC(=O)C1CC2(C1)CN(C(=O)COc1ccccc1C#N)C[C@@H]2C(=O)OC(C)(C)C 1558329887 CNNMNONLCFQPOB-WCCYLALTSA-N 428.485 2.307 30 10 IEEE C#C[C@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1 1569673985 RAFRXHFGANLBCH-ROUUACIJSA-N 433.277 2.099 30 10 IEEE CSCC[C@H](C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1583060940 JXZCKCCPCCJACB-YSTOQKLRSA-N 425.554 2.439 30 10 IEEE CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1583458996 VCPWMBMNUYXPLL-UHFFFAOYSA-N 433.461 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(OC(F)(F)F)c2C#N)C(=O)C1 1583616059 UHUXCWBGGUPFCG-UHFFFAOYSA-N 442.394 2.475 30 10 IEEE COCCn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 1585533814 DIUNKMCUUDETMV-SFHVURJKSA-N 432.322 2.315 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1 1587299836 AWPSACPMJQWXOK-UHFFFAOYSA-N 431.448 2.402 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588049408 GHKHNKHIKLMGCU-ICSRJNTNSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588058700 ARMOZINFICWWMN-MOPGFXCFSA-N 435.638 2.224 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1589068469 CAJFQJXYZPWHKF-BBWFWOEESA-N 435.594 2.498 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNS(=O)(=O)CC)CC1 1594070211 AKVXHJIQBRMQHI-UHFFFAOYSA-N 449.577 2.448 30 10 IEEE C=CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1594767573 VDTJWMQBWPEMKM-PXNSSMCTSA-N 426.583 2.298 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1595170402 BQBWRUPHVHZCEK-VAMGGRTRSA-N 430.597 2.148 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CCCN1C(=O)OC(C)(C)C 1596071140 BSVCQVHRROIIQG-RDPSFJRHSA-N 442.560 2.192 30 10 IEEE COC(=O)[C@H](CCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)NC(=O)OCc1ccccc1 1597704997 KMMWLNLMEWSSAU-SFTDATJTSA-N 435.480 2.390 30 10 IEEE CC(C)(O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1597808663 GTYKJYMIKHULBF-UHFFFAOYSA-N 436.495 2.233 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1611780024 FJCMWWFVFZEWLC-IERDGZPVSA-N 430.459 2.353 30 10 IEEE CCC(O)(CC)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613663288 BXRNYXPAOCVWFW-OAHLLOKOSA-N 444.536 2.088 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1614095309 FRYXYFTYWCQLLP-OGWMBBJDSA-N 435.532 2.415 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)cc1 1617910698 VUMNUDYENKMANV-OAQYLSRUSA-N 442.493 2.093 30 10 IEEE Cn1cc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1618409110 RHDLMGOPWGQDPB-INIZCTEOSA-N 427.459 2.242 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCCO3)n2CCOCC(F)F)CC1 1620351449 AGVVLCIPGZBZOU-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c(C#N)cn1CCOC 1623540377 BIEPOAZJCHVHKZ-CRAIPNDOSA-N 428.489 2.296 30 10 IEEE COc1ccc(Nc2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)c(OC)c1 1630030440 IEQZKWJKSGUDKO-UHFFFAOYSA-N 435.440 2.011 30 10 IEEE C[C@H](CN1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1630498011 FYQDLWXXMMGRKN-LRWZUSMTSA-N 436.578 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1630720153 RCOYFFOPLFTITG-CZUORRHYSA-N 446.508 2.173 30 10 IEEE N#Cc1c(F)cc(CNC(=O)Cn2nc(Br)c(Br)n2)cc1F 1633679546 QSKBNNCQFQYWDM-UHFFFAOYSA-N 435.026 2.269 30 10 IEEE C=CC[C@@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CCCN1C(=O)OC(C)(C)C 1634218031 IDPOWNIXZSMJGF-VVBPWWLESA-N 439.553 2.429 30 10 IEEE N#C[C@@H](CO)NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 1635475292 DQDNESKHJIUHPD-ZDUSSCGKSA-N 435.221 2.158 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 1649011871 RIBLUJDWKNOKEK-UHFFFAOYSA-N 433.461 2.464 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2snc(OC)c2Br)c1 1665270939 ZAIIJRUYIFQNPY-UHFFFAOYSA-N 446.348 2.309 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(Br)cc1 1666749979 JVGPXGYBIJVQAU-CYBMUJFWSA-N 428.333 2.332 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cncn2)CC1 1689907835 NJFGOQREFWHNGZ-PMACEKPBSA-N 427.553 2.314 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCC1 1690103625 FDRQLBJBXVPDLQ-LJQANCHMSA-N 442.585 2.388 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)C2CC2)CC1 1690110231 DBWPBUZQSNUINT-XMMPIXPASA-N 436.560 2.063 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 1690111435 BQHOCUFBNISECK-WZONZLPQSA-N 443.523 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)[C@@H](C)CC)CC1 1690148410 FYRSRECRWVPSJB-RXVVDRJESA-N 438.576 2.291 30 10 IEEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCCS2(=O)=O)CC1 1690381005 YEANCIMKAVUSDV-UHFFFAOYSA-N 431.562 2.357 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)N(C)CC)C1 1690697179 PWAGLLWNLGQUNX-FQEVSTJZSA-N 435.532 2.390 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C)C1 1690728979 CIUFFHZONCSSGQ-GOSISDBHSA-N 434.562 2.300 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1698241937 RXUZKZCNPGGQKC-AABGKKOBSA-N 446.596 2.100 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1705495726 UOSDWPNYWZHYTE-AEFFLSMTSA-N 443.573 2.403 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2c(C)noc2C)c1 1705506771 HZSWMOITRJURSZ-SFHVURJKSA-N 434.500 2.491 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1705526330 DLYPQOGCUSINSV-KRWDZBQOSA-N 430.530 2.151 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1Cc1cccnc1N1CCOCC1 1705556472 BCFRBOONFLKGGL-UHFFFAOYSA-N 436.491 2.346 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705565762 VXTHFLXQMOLVNO-PGRDOPGGSA-N 428.558 2.041 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2F)CC1 1705635057 PUFBHRXHJASYNH-HSZRJFAPSA-N 445.514 2.400 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1CSC 1705697041 JKTMOYLRAVJJRD-NCOADZHNSA-N 443.639 2.201 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705758977 HLBBODCMQOLVPF-UHFFFAOYSA-N 443.932 2.267 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705947353 IRNQQYVTMALLEF-QFIPXVFZSA-N 428.606 2.484 30 10 IEEE CC[C@H](C)c1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1708419647 RIJKBEPXUSSHQY-JKSUJKDBSA-N 435.550 2.335 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C(C)C)N1CCCC1 1708756760 HHHDTLDBHHUOKB-OALUTQOASA-N 431.585 2.046 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722306840 OPFXZMWOLLCGQH-UHFFFAOYSA-N 444.561 2.132 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722359679 AAKPEYYGZNNWKD-QUCCMNQESA-N 439.541 2.288 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722364829 BBEUYQWWBOFXQS-RTBURBONSA-N 445.589 2.287 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722481676 HYGUTSBYQBXGHE-UHFFFAOYSA-N 432.326 2.092 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722488168 BSCBJXLRFORYTR-MRXNPFEDSA-N 431.338 2.374 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1722499331 AUCRMRISTUFBCP-MRXNPFEDSA-N 425.599 2.498 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1722510237 SGOOKYFFNPVKHX-WIYYLYMNSA-N 432.613 2.106 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)COCCO2)C1 1722714343 KKNGSDUMZJSOMF-RXVVDRJESA-N 429.477 2.440 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)C(C)C)C1 1722717065 CJAMKAZYQMYLPJ-FQEVSTJZSA-N 437.552 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722727098 FWLVVORVHKRBQA-KRWDZBQOSA-N 440.610 2.242 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729095156 LHLCOONOERGJQW-NXDJFEHLSA-N 430.553 2.355 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1740603789 GLHNEFQKCOYSAV-UHFFFAOYSA-N 434.500 2.354 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2ccsc2)nc1 1740609303 ITJKWANUJXLSJC-QGZVFWFLSA-N 427.555 2.421 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCc2ccccc21 1740642418 WIRKHGGLBCJNRC-XMMPIXPASA-N 445.548 2.176 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCS(C)(=O)=O 1740753301 IAMPLNRAOHXHOE-FUHWJXTLSA-N 449.533 2.315 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1740876042 NBQSKNSRUHDVME-HOTGVXAUSA-N 439.582 2.250 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1740900682 WIFMAYWQIIUHPH-AZUAARDMSA-N 445.589 2.353 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740962371 BMMLFFMUTNTZHV-UHFFFAOYSA-N 446.493 2.335 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 1740964372 OAXITRZWSVWQPD-INIZCTEOSA-N 429.521 2.172 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC=CCC1 1741674905 JZZPDIRHVLUYJE-SFHVURJKSA-N 434.548 2.366 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2Cc2cccc(C(N)=O)c2)n1 1742690047 HYSNWUNWCGBLPT-UHFFFAOYSA-N 432.532 2.417 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)nc1 1748266383 CVLLXSLOGMJPBT-UHFFFAOYSA-N 439.907 2.398 30 10 IEEE CO[C@]1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1748497559 QGVONYMIJRGZMS-LIRRHRJNSA-N 448.321 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1748638890 YPZSKYLRDFAFMS-VQTJNVASSA-N 437.592 2.085 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@](C)(O)CCC)c1 1748692764 NRWVEROXKZVBTD-HSZRJFAPSA-N 433.516 2.342 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1C 1748847856 XUPKWYCHVVVSRG-MOPGFXCFSA-N 426.542 2.029 30 10 IEEE COc1ccc(OC)c(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1748853829 FWFDHNFXZDGXFT-VGSWGCGISA-N 442.495 2.321 30 10 IEEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)CC1 1749434078 GWUUQMGYMQXGPA-UHFFFAOYSA-N 428.562 2.329 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)C)CC1 1749678134 WYPWSXRYZCYBIO-UHFFFAOYSA-N 426.565 2.307 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)s2)C1 1749699086 ZEOQCWATQMCVFT-STQMWFEESA-N 445.998 2.433 30 10 IEEE CSCC[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750304940 VIXPHXXUKJHAMO-VXAPJYQHSA-N 448.593 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1760123417 FRTKBLBAVRMMRJ-IBGZPJMESA-N 440.592 2.350 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)O)c1 1760127136 ROKFLUFXQRIATR-UHFFFAOYSA-N 440.548 2.024 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760192675 WORHUUUTRDWJCK-SLFFLAALSA-N 434.606 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCNC(=O)c1cc[nH]n1 1760212448 VFSSRRYAENYLKI-HXUWFJFHSA-N 429.528 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CCCO 1760214581 UYMOYIKDSUEMCC-NRFANRHFSA-N 449.555 2.026 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1760275191 RUHMQCKHMMAJJZ-HNNXBMFYSA-N 438.550 2.158 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760288362 AHCKQESPZLKIDZ-PMOQBDJRSA-N 442.585 2.362 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760355743 UWLUYAMQPVMDCJ-UHFFFAOYSA-N 429.569 2.355 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1760524089 PCUSEDAZMPNIBH-KRWDZBQOSA-N 444.967 2.454 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1760545324 RVSBMKAFIMWWMA-OTWHNJEPSA-N 427.553 2.016 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760559334 MUJGUFMEPVIQLQ-UHFFFAOYSA-N 447.609 2.263 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1761362558 DJLFPQATDGJMFA-JWUWVAEESA-N 444.561 2.063 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCCCCCO)CC2)c1C#N 1762399762 BCBJPWQXRVSXNA-UHFFFAOYSA-N 428.585 2.369 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCCO1 1763179493 WCMSYWLDIRWZNT-XLIONFOSSA-N 427.505 2.149 30 10 IEEE CC/C=C\Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1763636555 KYKRUTFUBWHISS-WAYWQWQTSA-N 431.548 2.470 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C)O1 1765309914 OBQUSSNKLVJDID-XAEMIUIASA-N 438.532 2.211 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC 1767573498 ACXCFQBZYRGCMZ-HNNXBMFYSA-N 449.515 2.096 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)C1 1767710089 CTITWAHDFUVOTD-LJQANCHMSA-N 446.577 2.151 30 10 IEEE Cn1cnnc1[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1769052877 YMCRONQNTKXPAC-GOSISDBHSA-N 438.561 2.402 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1769295153 SCIREMVNNRJBTK-RLLQIKCJSA-N 445.495 2.097 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CN(C2CC2)C1=O 1771110649 UKNZRQFLKMXSBF-NRFANRHFSA-N 443.939 2.371 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 1772790027 NWRXOUGUFMFTTG-UHFFFAOYSA-N 429.435 2.312 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)ON1C(=O)c2ccccc2C1=O 1772792131 HHDCKJKFGHHYEE-JTQLQIEISA-N 442.371 2.127 30 10 IEEE O=C1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccccc1F 1851526883 ZVSASIJAQZVLMO-LBPRGKRZSA-N 435.399 2.045 30 10 IEEE CC(C)(C)[C@@H](C(=O)N(c1ccccc1)c1ncc(C#N)cn1)N1CCS(=O)(=O)CC1 1851709233 DXUAQSGGYZVZEV-GOSISDBHSA-N 427.530 2.158 30 10 IEEE CN(C)C(=O)COc1cccc(C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)c1 1851782811 XIIKZTRJVKAHSC-UHFFFAOYSA-N 435.424 2.028 30 10 IEEE C=CCN(C(=O)CCCN1CCS(=O)(=O)CC1)c1nc(SC)nc2ccccc12 1851878873 RTAYKNCOLYPCFJ-UHFFFAOYSA-N 434.587 2.381 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](c4ccccc4F)C3)ccc21 1854194739 BCSRXBVXNBDZJK-AWEZNQCLSA-N 427.457 2.333 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)cc2)cc1F 1862639458 ZAEQSNXMLHKPIN-IBGZPJMESA-N 428.416 2.254 30 10 IEEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(C#N)nnn2-c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] 1870158599 FNGBJSXUDYKCRK-UHFFFAOYSA-N 433.344 2.392 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](CS)C(=O)O)CCN(Cc2ccccc2)CC1 1984838752 YSVYBQCYTXMWAC-INIZCTEOSA-N 437.562 2.045 30 10 IEEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CCC#N)CCN(Cc2ccccc2)CC1 1987440817 DWAPLFLJKWSWBG-UHFFFAOYSA-N 436.578 2.379 30 10 IEEE CC#CC[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 2009944168 PJQSPVBNRVKWOA-MBSDFSHPSA-N 429.517 2.139 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOC1 2010538311 DOEGLEQSJBUWLS-AUSIDOKSSA-N 428.533 2.249 30 10 IEEE C[C@H](C#N)N1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 2060721412 QFGRRSPKKPMEFB-MJGOQNOKSA-N 444.532 2.069 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1cc(Br)cc(C#N)c1 2118201298 ODEWINLWYFBWLZ-GOSISDBHSA-N 426.311 2.413 30 10 IEEE Cn1nc(Br)c(COc2c(N)cc(C#N)cc2I)n1 2226989100 MIFPGTIVCMOBLG-UHFFFAOYSA-N 434.035 2.215 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243386749 HBLMXAPAFLIAFV-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2243389302 IEPMGJRIGNAXPX-NWDGAFQWSA-N 425.360 2.474 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396447 ZGDMIYRLCOEPMF-SWLSCSKDSA-N 437.371 2.314 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255541631 FHBOCIHCZWOOOJ-CVEARBPZSA-N 432.326 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837486 QCMIERUSACZVMF-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CC1(C)OB(c2cccc(S(=O)(=O)NCC3CN(Cc4ccccc4)C3)c2)OC1(C)C 2255949219 WENLSCRGIRYTRX-UHFFFAOYSA-N 442.390 2.396 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256624608 OECCZLGPHHNVMX-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267135554 DPSYLVAZXMZCIS-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267137921 UPIOPAPZWJFSKJ-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE Cc1c(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143884 ORKTUPIUDHPSQU-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)c(F)c2)OC1(C)C 2267506096 RZPVYYWORQZMEH-ROUUACIJSA-N 437.324 2.380 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)n1 2267517099 NMGWGERASNDWME-GASCZTMLSA-N 446.357 2.036 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267523576 DOPGKEXZLMFYON-GASCZTMLSA-N 448.373 2.235 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268632437 KGMHRJBGULRXCT-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE C[C@@H](NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268709021 IUMZFODUMKVGCB-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1Cl 2270500587 RLCMXQVYZRYZNH-INIZCTEOSA-N 437.861 2.333 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315610177 XWJLFBUZLLZXCK-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cc(Br)ccc1O 2331564901 FLJFQSBKLOLPJH-UHFFFAOYSA-N 442.339 2.393 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337290278 SACJSRJIRFYIJB-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1C 2337398034 KIJIBDCADCQICA-APWZRJJASA-N 438.381 2.421 30 10 IEEE CC(C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 28961567 IBRPSKQIHSKDRD-QHCPKHFHSA-N 440.569 2.378 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 253636424 LAAFISZDLHQNFS-WPDIKKOOSA-N 438.467 2.169 30 10 IEEE COC(=O)C[C@@](C)(NS(=O)(=O)c1cccnc1C#N)c1ccc(Br)cc1 428403325 KFEHINXWIQNZBW-QGZVFWFLSA-N 438.303 2.473 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCC3(CC#N)CC3)c12 431170972 DJWHNOCMOIGGFM-HNNXBMFYSA-N 427.530 2.400 30 10 IEEE N#Cc1c(CCCNc2ccc(C(=O)NC3CCCC3)nn2)nn(-c2ccccc2)c1N 432126730 BHCCGGBAKGHZQC-UHFFFAOYSA-N 430.516 2.833 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 461330790 IFDDBICAUUBTPO-UHFFFAOYSA-N 442.541 2.092 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C[C@H]3CCCO3)c2=O)nc1 474357079 PGBOJHMFTZKNQO-LJQANCHMSA-N 449.507 2.317 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1=O 499438056 RIJYGSGFKJZQKR-NXHRZFHOSA-N 433.350 2.463 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 505783379 RLLRJTLUIDVNPB-IBGZPJMESA-N 436.490 2.202 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CC1 516388315 WFTMZWFOMMABNM-UHFFFAOYSA-N 439.541 2.090 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)c3nccc4c(S(N)(=O)=O)cccc34)CC2)cc1 525946368 WYXYUPHPBPDJHA-UHFFFAOYSA-N 436.493 2.437 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(C(F)(F)F)n3)CC2)cc1 530540038 GNRAOUNVBDTSHO-UHFFFAOYSA-N 430.433 2.180 30 10 IEEE CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)Cc2ccccc2C1 538779478 IDVVVVNKSSTYOY-UHFFFAOYSA-N 438.553 2.379 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 549669504 JQTAIKAQZDLPTR-MJGOQNOKSA-N 449.552 2.320 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 580746262 SAMMPQGJEIHPII-UHFFFAOYSA-N 443.916 2.931 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)[C@H](C(=O)OC)c3ccccc3)cc21 586314730 RQDKSCCAAPOFOO-URAOTHONSA-N 427.478 2.444 30 10 IEEE N#Cc1c(CCCNC(=O)c2cc(N3CCCCC3)ncn2)nn(-c2ccccc2)c1N 590421294 VUPTVCDMLVDUAU-UHFFFAOYSA-N 430.516 2.469 30 10 IEEE C=CCOc1ccccc1CNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 600896067 ORJBPOITWTWXGQ-UHFFFAOYSA-N 444.557 2.191 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)c1 612193443 JOUQNWUFSXVKGK-HXUWFJFHSA-N 446.528 2.483 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1 708184634 ZASJMXYJTWJTNW-UHFFFAOYSA-N 429.155 2.422 30 10 IEEE COc1cccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 726107091 YKRCFNPKFPLVPN-RWUVGJFLSA-N 439.541 2.197 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC(C)C)cc1 727417655 OPMOZOLXBXDFBU-UHFFFAOYSA-N 437.521 2.308 30 10 IEEE COc1cc(/C=C\C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc2c1OCCO2 739432809 XAINFCUJXOGFDE-WAYWQWQTSA-N 445.493 2.383 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 739854114 LYAVCEFEIILFBC-GCJKJVERSA-N 435.576 2.395 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ncc(C(F)(F)F)cc1Cl 741339154 BXFPTYRMCAAKRY-PEZBUJJGSA-N 446.769 2.152 30 10 IEEE COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 747014463 ZDNLYOFAXKNBEO-UHFFFAOYSA-N 433.486 2.316 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1-c1ccccc1C 753356347 BLCPLLSHHNYLIZ-CQSZACIVSA-N 449.532 2.440 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CCN1C1CC1 756778440 BBWXBYLVQALCQO-AWEZNQCLSA-N 447.326 2.375 30 10 IEEE COc1cccc(-c2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n(C)n2)c1 763182917 OCEZTUGJSDJHHP-UHFFFAOYSA-N 439.497 2.163 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1 764074116 CWLVJZNWTMIDNE-WOJBJXKFSA-N 433.480 2.052 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 767916489 LRFNYHBCBYMWOB-WLBHNISZSA-N 428.489 2.069 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 778056614 NYXXNQATXOZXJU-CRAIPNDOSA-N 435.546 2.235 30 10 IEEE N#CCc1ccc(NC(=O)COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)cc1 780254255 BUYFCCRRLGSXBQ-QHCPKHFHSA-N 437.452 2.320 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(C(F)(F)F)c3)n(C)c2=O)cn1 782637355 RRVNQLWOSDROAX-UHFFFAOYSA-N 446.454 2.458 30 10 IEEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1CCCOCC1 786310890 CQVYSDICLXJRQB-QFBILLFUSA-N 433.530 2.325 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 790423339 YAIZVLNSVYMKFK-UHFFFAOYSA-N 438.549 2.217 30 10 IEEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC1CCN(c2ccccc2C#N)CC1 792199098 HMJLMWGYALLGEY-OAQYLSRUSA-N 448.445 2.275 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797426570 WOWWTNXWVARLEJ-ARFHVFGLSA-N 425.518 2.452 30 10 IEEE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805927980 QAUKUZYUTRIMDD-AWEZNQCLSA-N 432.433 2.245 30 10 IEEE N#Cc1cc(F)cc(OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 808043522 KTEQUKLZXPODCL-WDZFZDKYSA-N 429.473 2.221 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3ccc(C#N)cc3C)CC2)cc1 816640848 ZJWDNLXWDWIBNV-UHFFFAOYSA-N 431.539 2.488 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837696844 RCSCJXSLMWHTFJ-UHFFFAOYSA-N 435.553 2.265 30 10 IEEE C=CCn1nnn(CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1=S 919938142 VUXNQZRXRAYYFC-UHFFFAOYSA-N 441.483 2.228 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(N)=O)[C@H](C)c2ccc(CCC)cc2)c1 920252905 YRIKDHVNGJTMBM-QGZVFWFLSA-N 441.553 2.239 30 10 IEEE Cc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1083956038 LEXYCGHHSNIBDF-UHFFFAOYSA-N 442.549 2.486 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)c(OC)c1 1084115201 NIUVKPJYRDRFMK-UHFFFAOYSA-N 444.473 2.410 30 10 IEEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1124239811 AIFPSODWYWZDMQ-VVTMIQRTSA-N 432.498 2.285 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)OCC 1132417989 JVBHJMVNHIMWRE-QGZVFWFLSA-N 428.938 2.350 30 10 IEEE C#C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1159762632 POBNREFDFDYHRA-LLVKDONJSA-N 429.317 2.035 30 10 IEEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1171471043 UXJWKVJFUJHVPJ-ZDUSSCGKSA-N 442.843 2.261 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@@H]2C#N)CCN(Cc2ccccc2)CC1 1181303920 CCRHMTOSWZOZHG-IBGZPJMESA-N 428.533 2.297 30 10 IEEE CNC(=O)[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 1277215604 RFSRDYWHNSUYME-GHTZIAJQSA-N 438.503 2.396 30 10 IEEE C#C[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C1CCOCC1 1280096297 KQGZDAVACPYBLD-KRWDZBQOSA-N 432.318 2.065 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC12CCOCC2 1286376048 DPXIVULKKGIIMD-QZTJIDSGSA-N 445.564 2.473 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286387623 GYYCOKYMCXNMJK-QLVMHMETSA-N 432.546 2.024 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(N2CCC(OC)CC2)CCCC1 1286407679 ZRIBDIDXDVATAI-UHFFFAOYSA-N 433.560 2.232 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)cc(C)cc1C 1286419862 HAHDPIRCDFVZBM-IBGZPJMESA-N 427.574 2.325 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286481306 CQYSNFNMSKXGDN-DEOSSOPVSA-N 434.519 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(Cn3ccnc3)c2)CC1 1286491379 PJOYXEDGUZERIS-UHFFFAOYSA-N 431.544 2.099 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1 1286517644 JYPNTMMQCDFUND-OAQYLSRUSA-N 439.545 2.023 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286548474 OJILLGRZTFISJU-FVQBIDKESA-N 426.359 2.195 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1286578006 DFCSIZYMCSRWKT-GOSISDBHSA-N 431.562 2.278 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286716110 GGDUPOBBAKPHFW-RBUKOAKNSA-N 432.569 2.305 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286812254 MSBDFRKVNSCSJW-AZUAARDMSA-N 446.573 2.116 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 1286863140 WFAXIRZBKXIFCN-OFNKIYASSA-N 444.580 2.317 30 10 IEEE CC(C)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1287142260 CWZTXRTUOHGJSM-KRWDZBQOSA-N 438.598 2.033 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1295315178 SKOZNJZZYIIABV-XMMPIXPASA-N 449.559 2.324 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1297588397 XNZMSMHLJWCQGS-UHFFFAOYSA-N 427.505 2.151 30 10 IEEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCCC1 1298041492 DAZZQEOUPBCYIZ-LJQANCHMSA-N 442.589 2.314 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCC(CS(C)(=O)=O)CC2)CC1 1298432541 DZJYDIXVLRECCV-UHFFFAOYSA-N 426.579 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C(C)C)N1CCOCC1 1300289284 HOZHHSPNUMMLDH-PKOBYXMFSA-N 425.533 2.489 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300476104 FRXYNGAQKTZYAV-SFHVURJKSA-N 427.574 2.443 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300486768 AVQRFDZBLUWNMV-HNNXBMFYSA-N 442.570 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C 1300579669 YEJWSFHEVCMYLL-HXUWFJFHSA-N 440.569 2.339 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 1300666330 XBEFRNCKOGDYBP-IRXDYDNUSA-N 429.487 2.490 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1300901006 VLSUPKZTVJSPKV-DLBZAZTESA-N 435.598 2.373 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CCN2CCOCC2)cc1 1301525167 HLPZGBMXEFUIRC-HXUWFJFHSA-N 427.549 2.164 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2F)C1 1301537431 AMQXHILZAHQGHK-RDJZCZTQSA-N 437.541 2.051 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)C1 1301555294 AWWQSBZWBILAQS-NVXWUHKLSA-N 438.500 2.288 30 10 IEEE CS(=O)(=O)CCCCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302448151 IMTQBIZSHKDDEO-UHFFFAOYSA-N 444.561 2.295 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1 1303782375 GRLGPKWIZCWMOM-MRXNPFEDSA-N 443.529 2.282 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2c3c(sc2=O)CCC[C@@H]3C(=O)OCC)c1 1307372448 RGVLFYVMJGZLDE-HNNXBMFYSA-N 427.482 2.222 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1315813302 BTMKQXSGMQYASX-ZWKOTPCHSA-N 426.496 2.296 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1CC1=CCCOC1 1316085695 DHIKYVIKNHOTHT-UHFFFAOYSA-N 438.532 2.288 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358926481 QIOFSJRYRDAGGC-KRWDZBQOSA-N 440.573 2.368 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1358964942 KJZYLDLJWTZRRH-GOSISDBHSA-N 434.587 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COCC 1358994516 OZIUGCKBQGYOPE-OAQYLSRUSA-N 440.569 2.228 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359049784 WFSCQIKHWMHXRO-UHFFFAOYSA-N 440.617 2.206 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCCOC)CC1 1359167539 KCNVIUAWJPHFGR-UHFFFAOYSA-N 426.521 2.025 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1359238150 AULQSVRAPBZVSM-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1359260386 CGSJBPBXJAKLAR-ZQHDKMAOSA-N 431.537 2.472 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC1CC(F)(F)C1 1359302231 AAIQPGWZRXNMRX-UHFFFAOYSA-N 429.475 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)[C@@H]1C 1359334037 RDJBBHGJXSEKJX-SJORKVTESA-N 428.562 2.352 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1359619763 DMRDNQPJJPKVRB-FQEVSTJZSA-N 447.547 2.240 30 10 IEEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)c1 1435005078 NUAJYMJXGWZBGI-UHFFFAOYSA-N 426.523 2.407 30 10 IEEE C=C(C)C(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1440798780 QSEBNPGYWGFOLV-UHFFFAOYSA-N 441.937 2.106 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCN(C(=O)C3CC3)CC2)C1 1447785607 RECJMUQHEMRCPB-UHFFFAOYSA-N 431.334 2.228 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)c1 1454851971 JNTAXWIYEMRXCZ-JOCHJYFZSA-N 440.565 2.423 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)n1 1459760587 XVQVRITXQTXAIK-UHFFFAOYSA-N 444.536 2.470 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 1460027410 NPTCKXMOHLMAPJ-UHFFFAOYSA-N 431.448 2.402 30 10 IEEE Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1461304725 BBCYKKXSOPHGDH-HXUWFJFHSA-N 437.525 2.326 30 10 IEEE CC(C)CC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1464257911 AEVLNPZWLXSCMI-UHFFFAOYSA-N 433.350 2.474 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 1467705288 AIDUOHALLNOZQE-AQNXPRMDSA-N 441.528 2.302 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)CC1 1471529089 USJWEIXPUAMWFL-UHFFFAOYSA-N 432.476 2.487 30 10 IEEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1479558787 HVEIAGDYJYWDBZ-GOSISDBHSA-N 428.533 2.190 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1492907759 FQZWLUSPIVOICH-ROUUACIJSA-N 438.580 2.068 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)(F)F)C1 1505315467 QWFFXEZKVMBRKN-QGZVFWFLSA-N 446.355 2.268 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccsc1)N(C)C 1507659580 ZQEDOSZWSFBPEI-SXLOBPIMSA-N 427.574 2.439 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1507732347 LKPYDYJPDGAFQO-UHFFFAOYSA-N 439.564 2.148 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1507868904 QBEIKSRYNRVPIT-JKSUJKDBSA-N 429.974 2.156 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507960305 OFGXMZBKYKJRDM-UHFFFAOYSA-N 449.559 2.295 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1508092496 ZHQWGLAGDPNLTN-CABCVRRESA-N 431.459 2.370 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)NC)c2)C1 1508121962 HCMOYDJOUPRONC-VQTJNVASSA-N 425.533 2.166 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCCCC2)C1 1508132683 YUDIOBCWNUAGGZ-PMACEKPBSA-N 430.597 2.304 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1509948461 RGGSCBAGDSOIPV-XLAORIBOSA-N 430.532 2.214 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 1532427684 IDISAEZDHBQWDD-UHFFFAOYSA-N 440.521 2.438 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1538973807 PHJLNOPQVKCXJP-DOMZBBRYSA-N 445.321 2.154 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539088978 CVERNLSVZZFCEN-INIZCTEOSA-N 439.520 2.442 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 1539266899 VCQIJHXKBYYZDU-IRXDYDNUSA-N 446.960 2.374 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(SC)cc2)CC1 1539460142 XXKPOCKHPJOXGT-UHFFFAOYSA-N 438.601 2.120 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCCC[C@H]2CC)CC1 1539484190 GLFFGWRHKPKXEV-OAQYLSRUSA-N 426.609 2.461 30 10 IEEE C=C(Br)Cn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539608601 ALAVORAGOPDNLG-KDOFPFPSSA-N 443.342 2.227 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539627864 LQOSBKZKPURYHT-NQIIRXRSSA-N 439.564 2.411 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1539651651 ITSVCVQVPCKQGN-UHFFFAOYSA-N 447.609 2.427 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1539683548 YKIBPWQHCRXIPR-LPHOPBHVSA-N 449.577 2.269 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1539961284 SECFQRKVGYAFIG-MRXNPFEDSA-N 445.593 2.261 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCSC(C)(C)C1 1540871630 PWXMNWDKARQBLJ-KRWDZBQOSA-N 429.546 2.425 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2(=O)=O)C1 1540893372 BJGSDTQKEAWHEO-RBUKOAKNSA-N 431.562 2.013 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1540916942 KHEPGXXCONPHBS-KRWDZBQOSA-N 433.582 2.105 30 10 IEEE CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1547967935 PHPNIEIBSXFVEZ-ROUUACIJSA-N 427.505 2.356 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(C2CC2)C1 1554284467 DOLOLHWHLDPAAO-SFHVURJKSA-N 442.589 2.172 30 10 IEEE COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)ccc1C 1554748207 CCKSCWOBJOPKIR-CVEARBPZSA-N 434.566 2.186 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CCC(=O)N1CCCCCC1 1555556458 GCNGGHAEVLAJPW-UHFFFAOYSA-N 425.537 2.499 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccc(C#N)o1 1555617567 YQWOELSOJJPTFE-HNNXBMFYSA-N 433.509 2.350 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)nn1 1557103538 HMYADWGQRFBWOY-UHFFFAOYSA-N 425.514 2.181 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCC2(CCOCC2)O1 1558624940 NMPCEIPLGNZNBS-AEFFLSMTSA-N 449.573 2.128 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)ccc1C#N 1559215566 SSWGVYOGYIUOEY-UHFFFAOYSA-N 429.380 2.295 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1559939183 JPKNAIMEYHLSHI-INIZCTEOSA-N 439.965 2.035 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncnc4ccsc34)CC2)c1 1586480249 DCADUMPWHGSWNB-UHFFFAOYSA-N 445.501 2.090 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1587567852 KYHHISDCXWUJBQ-UZUQRXQVSA-N 426.517 2.482 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588012119 XFTOXBDHKBKWGV-IIBYNOLFSA-N 429.546 2.067 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)COCc2ccccc2)CC1 1588733285 QOLSIEQAJOXZPZ-FQEVSTJZSA-N 438.576 2.024 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)CC1 1588907772 GDJIEUMYKXNCGT-LJQANCHMSA-N 432.528 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C(C)C)C(C)C)CC1 1588929528 CCOXEUHKVTYZRZ-OAQYLSRUSA-N 444.624 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)cc2)CC1 1588946890 IKWJULOZJOTNSA-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CC(N)=O)C1 1589582157 ZDWKHJIYEMBKSH-SACAXFFCSA-N 447.580 2.075 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1594627240 SQMXLYWGONSNKP-KRWDZBQOSA-N 436.582 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C(F)(F)C23CCC3)C1 1595674908 VSCQXFKUGXKNHB-KFWWJZLASA-N 445.536 2.105 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(c2ccc(O)cc2)CC1 1595797851 JUVHQSPEIVIZJX-IBGZPJMESA-N 446.573 2.472 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1598234883 ASORGSRJSLYAQM-WZONZLPQSA-N 440.548 2.228 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc(C)c(C)s3)CC2)s1 1598277845 AQRJRAGTPVBRJO-UHFFFAOYSA-N 440.616 2.177 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1603493548 UTDOPRZKTFEGFM-ZBFHGGJFSA-N 435.546 2.132 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1611308140 MBYKJGIKKNBMJR-MJGOQNOKSA-N 425.537 2.190 30 10 IEEE Cc1cn2c(n1)[C@H](Cn1c([C@H]3CCS(=O)(=O)C3)nnc1N(C)[C@H](C)CC#N)CCC2 1612347086 QIRHZFYXOJMRJO-IKGGRYGDSA-N 431.566 2.001 30 10 IEEE CCc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3CCO[C@@H](C#N)C3)c[nH]c12 1613805255 DMZOQOJCAZETHK-SFHVURJKSA-N 435.532 2.431 30 10 IEEE CN(C)C(=O)COc1cccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)c1 1617624433 BRLTVBPQKBWFNZ-HSZRJFAPSA-N 449.490 2.297 30 10 IEEE COC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1ccccn1 1625004483 YBZMRFIWIUUEPW-MMZUESARSA-N 428.489 2.199 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C#N)CO)CCC(=O)N2c2ccc(C)cc2)cc1OC 1627544482 XYVJBIJBPHOQQX-GEQKSPFYSA-N 437.496 2.497 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)s1 1632305126 NXKCEAWJIILCEX-CQSZACIVSA-N 444.579 2.038 30 10 IEEE O=C(Nc1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1)[C@H]1CCCO1 1639049408 BLBYGNPPXPMSBV-LJQANCHMSA-N 437.452 2.322 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1 1640286696 AENMMEUGDXPJKP-ZDUSSCGKSA-N 430.486 2.214 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1640797971 LOCTUVIXROKFMN-ZDUSSCGKSA-N 441.479 2.292 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)[C@H](C)c1ccccc1 1641210759 BSCSUALYHTWJMN-UXPWSPDFSA-N 443.569 2.421 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1641222175 FCMGJHDIPGKEOJ-FQEVSTJZSA-N 443.525 2.212 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1641976789 VLAPKARWMLKHKA-UHFFFAOYSA-N 443.481 2.304 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 1644281492 CTBLOEQJPMXBOF-UHFFFAOYSA-N 437.565 2.192 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)ccc1F 1647769239 ISTACKINBUSKEL-UHFFFAOYSA-N 449.435 2.343 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1649541098 CWXZEEXYKUIEEA-OAHLLOKOSA-N 435.550 2.233 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3ccccc3)C3(CO)CC=CC3)CC2)o1 1653995473 UUEQDUSCAYXDJJ-JOCHJYFZSA-N 435.528 2.163 30 10 IEEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 1658192942 HLIIUAVIXWTBMM-UHFFFAOYSA-N 438.557 2.174 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)n1 1668923583 APAOTRXUFJTGCH-UHFFFAOYSA-N 439.501 2.161 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)c(Br)cc2F)nn1 1669875282 OPIORPZAHJIOKZ-UHFFFAOYSA-N 447.286 2.021 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Nc3cc(C(N)=O)ccc3OCC(F)F)CC2)cn1 1672075227 HAQGYFUSBZWGFJ-UHFFFAOYSA-N 430.415 2.050 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)C1 1686056340 WFEUAOZYPMMAMP-XXUFKVEXSA-N 449.552 2.444 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(=O)OC)CC1 1690031412 JGRJSYCEBJCULN-UHFFFAOYSA-N 442.564 2.138 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1snnc1C 1690089717 KPZJZLZZXYHYOC-MRXNPFEDSA-N 425.493 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCn2cncn2)CC1 1690137785 ISUDTUGGGWDNFQ-OAQYLSRUSA-N 446.559 2.078 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1690181448 YTPHMVBDTSQLEL-HSZRJFAPSA-N 439.585 2.173 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690227879 IXZXODSRUGPKQH-GOSISDBHSA-N 437.342 2.269 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1690321656 IDBRLRJPROVKOH-ROUUACIJSA-N 445.589 2.485 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N(CC)CC 1696328931 HBROOBURHSQWJP-GOSISDBHSA-N 426.569 2.138 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1705559515 BTJWHAYCDLMIDH-HKUYNNGSSA-N 436.578 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc(C)s1 1705601298 FEKNOYUYYPBSTR-UHFFFAOYSA-N 439.570 2.135 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)nn(C)c1C 1705612255 CUZUKQSTRKRNQE-UHFFFAOYSA-N 433.564 2.310 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1 1705713207 WUWSDIYSRPYVTI-SFHVURJKSA-N 447.605 2.472 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1705800310 UDTSKQOWXGPIHR-FUHWJXTLSA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1705894881 NKIAOEMPVUPJNI-SJLPKXTDSA-N 428.581 2.227 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705896175 DLUUTWPOQSIMDT-KRWDZBQOSA-N 441.532 2.030 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1705926165 ZDBUTANFRBZQPV-MOPGFXCFSA-N 446.573 2.427 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1705929283 NGRLYMVXEKGNOQ-NFBKMPQASA-N 427.549 2.013 30 10 IEEE CC(C)(C)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706105174 ACUWTLYZGUARRQ-NRTINQSCSA-N 442.564 2.355 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 1710603030 GLYGBHVLTOOKFU-MVBMGLOESA-N 439.516 2.136 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1722317690 VYAFZHLBXOFIOJ-SFHVURJKSA-N 443.573 2.016 30 10 IEEE C#CCCCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722321706 FYUCHXIFZPHFSW-HSZRJFAPSA-N 429.565 2.325 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1722349899 FZDQXGVYNUGIST-UHFFFAOYSA-N 435.532 2.078 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 1722368680 UUSIPZJUKQIQCA-FQEVSTJZSA-N 442.585 2.477 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1ccn(C)n1 1722388956 BYLBPYAEOCPJLC-UHFFFAOYSA-N 448.527 2.410 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1c[nH]nc1C 1722424013 YEIGXNNGYKZESC-UHFFFAOYSA-N 436.516 2.467 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722692386 KMPZJGXSKMIONX-PXNSSMCTSA-N 429.496 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)CC[C@@H]1C 1722737078 SIEVGFQWERZQGR-OWSLCNJRSA-N 426.583 2.228 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@@H]1C 1728553822 CZUFATCFOLRQHQ-ROUUACIJSA-N 449.563 2.307 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1728945418 HQOAAVRUWIKBEA-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1729637482 HTRYIUIAMSVTPU-YADARESESA-N 449.559 2.038 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(Cn4cccn4)CC3)n2CCOCCCO)cc1 1731180852 IFVZNLIXJKAIOH-UHFFFAOYSA-N 435.532 2.329 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1740553787 UMNLWQMGOKIDFL-GOEBONIOSA-N 438.500 2.482 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(F)c1 1740678748 QWJIJKNOIOVVBW-UHFFFAOYSA-N 438.463 2.207 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740692699 ZLELLUWCYMXLPE-GOSISDBHSA-N 449.559 2.485 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1740725147 NEXJCMJSGLVFSL-KSFYIVLOSA-N 443.573 2.058 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740929666 CMYPCFASYVCIKI-JOCHJYFZSA-N 433.560 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[C@@H](C)C1 1740988516 HKMGKHQJSTUUIZ-IYBDPMFKSA-N 432.546 2.409 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CCC(C)(C#N)CC1 1747434736 NSDJAZDWTDDLNX-UHFFFAOYSA-N 446.577 2.413 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1748732327 YMAFWQPSHDBRIJ-CRAIPNDOSA-N 435.525 2.019 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748804765 KUCAFSAVMXYODY-FGTMMUONSA-N 433.578 2.314 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748821674 SISXYNAJQGEJNE-IBGZPJMESA-N 444.605 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1748902489 GOZXSIORTQJSKI-QGZVFWFLSA-N 446.960 2.408 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)C 1748905998 NVRXXGBTBBCKMF-UHFFFAOYSA-N 430.940 2.093 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1748948104 HZCUYMLLBXYJOX-UHFFFAOYSA-N 439.607 2.010 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@](C)(O)c2ccsc2)CC1 1749008859 CIWMYZFZBCYOIZ-JOCHJYFZSA-N 427.574 2.481 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749018735 DHSGXHVBRMLSAN-WOJBJXKFSA-N 444.624 2.148 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749148675 BKLDVUJREMGNFM-UHFFFAOYSA-N 434.562 2.296 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749642471 IPSJSCNCFZGPBJ-UHFFFAOYSA-N 430.528 2.173 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749655374 JKZUYCZNEOPLLO-CZUORRHYSA-N 449.353 2.343 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1749934054 XAAPXXVHXAQAJC-SFTDATJTSA-N 438.532 2.117 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnc3n2CCCCC3)CCOC1 1750060756 JNBHONUDVBQVRE-HTAPYJJXSA-N 442.568 2.281 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1750061115 LVKQOSQSPGODIW-DZKIICNBSA-N 443.483 2.141 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760150894 URRKRNZOMHUFJE-UHFFFAOYSA-N 433.560 2.221 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760182043 AYIDTFWVPRBIJD-FUHWJXTLSA-N 441.557 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)CN(C)C)CC1 1760257978 CYIIAFLKOMYBLV-UHFFFAOYSA-N 438.576 2.059 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1760290451 GMOUOGWSAVJDCU-DHIUTWEWSA-N 431.581 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)CC1 1760336010 UBDVZPLVIJBMBV-CTNGQTDRSA-N 426.565 2.398 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc([C@H](C)O)cc2)CC1 1760396570 FYOXQBHJJVWVHG-HOTGVXAUSA-N 433.578 2.392 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760447107 DLNQMWSXBNOXHA-LJQANCHMSA-N 438.532 2.304 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1nncn1C 1760453209 YJXJPNZDLGHFKS-SFHVURJKSA-N 425.541 2.202 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(C)c2)CC1 1760525787 RJCPTPDMIPPCJI-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558554 SDOIAIJPJQLXFT-WAOWUJCRSA-N 440.610 2.402 30 10 IEEE CCCNC(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1764549926 HRZWBCQJLNTNPD-UWJYYQICSA-N 428.468 2.149 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1764894564 AUNRQNBVTHEGMI-SFHVURJKSA-N 438.580 2.351 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1767178621 SIQKWWNXJQSCDH-JOCHJYFZSA-N 441.536 2.298 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNC(=O)c2cccc(O)c2)cn1 1767455821 HXFXYFYNKDDHAD-HSZRJFAPSA-N 448.531 2.334 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1OCCC1(C)C 1767943647 ZMFLPFKTJAJPQV-AEFFLSMTSA-N 440.552 2.006 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)(C)C 1768118060 ZIWCBJDHBLVTLA-MOPGFXCFSA-N 439.564 2.436 30 10 IEEE COCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1769668309 XGJZSVUCXXYVLK-NRFANRHFSA-N 425.468 2.061 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)CN1C(=O)c1ccc(F)cc1 1852613432 DNRPEZNZASYIBK-SJCJKPOMSA-N 443.866 2.244 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2=O)CC1 1853735407 SCCRLRVXHMDAMN-VQIMIIECSA-N 428.920 2.446 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)c3sccc3F)C2=O)CC1 1854831401 JOHOVTAIPAILGT-QGZVFWFLSA-N 427.505 2.497 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)OC1=O 1855063192 UWAVTJHFGZMYER-INIZCTEOSA-N 425.894 2.143 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1C(=O)O 1862608821 WVEGKUXYGKSXQO-HXPMCKFVSA-N 439.420 2.115 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866582279 RRSIONQENSXJLT-QUCCMNQESA-N 425.510 2.049 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1 1870099674 RRFWVSGDQRVTHQ-UHFFFAOYSA-N 426.414 2.185 30 10 IEEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870143663 VRRZOIWQWWQWES-UHFFFAOYSA-N 436.815 2.279 30 10 IEEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N2CCCC2)n1 1871704669 CBXBVWPYOKOPFC-UHFFFAOYSA-N 438.580 2.307 30 10 IEEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N3CCC(CO)CC3)ncnc21 1873595343 YVCGFWZSQDFHEL-UHFFFAOYSA-N 440.592 2.432 30 10 IEEE Cc1nc(I)c(I)n1CCO[C@@H](C)C#N 1928097412 GUPVGGASHXKPHG-LURJTMIESA-N 431.015 2.329 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987532619 LRDZEJNZWWWVGH-OAGGEKHMSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCO1 2010508699 ZWJBIPGUOGHDQB-CVDCTZTESA-N 428.533 2.297 30 10 IEEE Cn1c(Br)nnc1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 2124453530 IZUDUBJMDHGBPQ-NSHDSACASA-N 429.319 2.171 30 10 IEEE NC(=NO)c1cc(Br)cnc1N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2153992966 HTCWPSXCNRWBNU-DLBZAZTESA-N 432.322 2.028 30 10 IEEE C[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243390403 URQCOQWKDFVLEZ-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247831944 HAESXODNVUKUKR-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248401845 OUKFNYQHNWHFAM-ZDUSSCGKSA-N 437.371 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2248403189 BYIMUSUXMTWLFL-VXGBXAGGSA-N 435.355 2.494 30 10 IEEE CC(C)(C)OC(=O)NOCCCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420206 PDQHTFZEOILMEV-UHFFFAOYSA-N 441.359 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2248446101 VUMUJOASMPVOPE-LBPRGKRZSA-N 441.359 2.045 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630650 NCUYVDKYTJHQCM-KGLIPLIRSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255658378 CMQHMGIIBCXCJA-HNSKJHPRSA-N 437.321 2.439 30 10 IEEE Cc1ccnc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824196 CRLVLZOMRWEQFO-MDZDMXLPSA-N 431.342 2.500 30 10 IEEE CC(C)(C)OC(=O)N1CC(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2256035686 PGQLPKIYGWEDLU-UHFFFAOYSA-N 433.314 2.054 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256617856 MMVZJXOMRWFUSV-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 2257492245 TYCCKVFCUZNODC-INIZCTEOSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267133896 ILVAKMAPOUXUMU-HUUCEWRRSA-N 446.357 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]12 2267145885 JIBAZCBYEAQOMD-OYHNWAKOSA-N 446.357 2.371 30 10 IEEE CON(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267185942 CJYMPQSYJNUHRZ-HNNXBMFYSA-N 447.341 2.394 30 10 IEEE Cn1cc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502162 JRYGIHYDBQHRTF-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267502419 NHKIOWVYYHABSI-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267507357 MZQDSWJUVNXSMR-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE Cc1ccnc(C(=O)N(C)C[C@@H](O)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267511054 WIKRDEQKMVJALQ-LJQANCHMSA-N 440.349 2.339 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C 2267539472 QUDKIRHPJQNQED-GOEBONIOSA-N 448.373 2.330 30 10 IEEE Cc1ccc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267603015 WDOPTNVIGLEYGW-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267614235 LCKCKHIQRIAPOD-CABCVRRESA-N 446.357 2.294 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268632633 MJUAAANUBAPNGH-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268636471 DFQOGZJVVGMBFJ-CVEARBPZSA-N 447.341 2.344 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2269709490 OGCDMLCEJFHIBY-HOTGVXAUSA-N 443.353 2.284 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2270598499 LBHXBYFVVGSSEV-HNNXBMFYSA-N 441.259 2.054 30 10 IEEE Cc1cc(S(=O)(=O)N[C@@H]2CCCC3(C2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2282326254 PPCITKQEWGVCKX-CQSZACIVSA-N 443.396 2.320 30 10 IEEE COC(=O)C1=C(C)NC(=Cc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)C1=O 2294034622 MRHFAKLFDYIXKB-UHFFFAOYSA-N 436.873 2.372 30 10 IEEE CC1(C)OB(c2cc(Cl)cnc2N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2301371585 ICTCHFGTVFOVPP-NWDGAFQWSA-N 431.651 2.386 30 10 IEEE C=CC1(N[C@](CNC(=O)OC(C)(C)C)(COCC)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2306604937 ZBKLZVJZGWJZAH-OAQYLSRUSA-N 443.541 2.136 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1 2331349252 DJGSRPXYLNDIAP-HXUWFJFHSA-N 433.574 2.436 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2336902322 XERKYWWOFYHSKC-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCN(Cc2ccccc2)C1 2337191362 YAAMCBKREQBLBR-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE C=CCOc1ccc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc1OC 13574311 GHMVKGMJYQVTSS-BKPRWIHQSA-N 434.499 2.271 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N 21319619 BAVJVXZWJUQHDA-KEBDBYFISA-N 442.461 2.086 30 10 IEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)o3)n2N)cc(OC)c1 21321343 DAUSLBOFCXDWSI-AWQFTUOYSA-N 431.478 2.087 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)n3nc(C)cc3C)n[nH]2)c([N+](=O)[O-])cc1O 59040076 BTXKFHQVXSPAIT-CNHKJKLMSA-N 446.449 2.119 30 10 IEEE Cc1nc(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)sc1C 435214773 SWLNLOXDHSKQGM-UHFFFAOYSA-N 434.522 2.450 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440381319 QAIURXVMRJKSRA-UHFFFAOYSA-N 428.473 2.354 30 10 IEEE N#Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 460280583 KGBNVJLZYGNMTP-UHFFFAOYSA-N 449.479 2.432 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2)cn1 460761504 ZKJYEVQTPOMHAZ-UHFFFAOYSA-N 448.258 2.400 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3c(cc2C#N)CCCC3)cc1 484177507 WGZBGEPDKXEZSY-UHFFFAOYSA-N 441.513 2.050 30 10 IEEE CCOc1cc(CN2CCN(c3ncccc3C#N)CC2)nc2nc(C(F)(F)F)nn12 485029440 FZBPUIMBXKPGJM-UHFFFAOYSA-N 432.410 2.131 30 10 IEEE COc1cccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2=O)c1 506125519 DPPXLFTYWWHTGU-QGZVFWFLSA-N 441.509 2.308 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)C2=O 508453395 FZSBXEIGVPSWDE-UHFFFAOYSA-N 439.516 2.260 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 514422907 WUHCJPNWZXKYEV-UHFFFAOYSA-N 433.574 2.452 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(F)c1 518910009 SQQHAQGVBVJWGZ-QGZVFWFLSA-N 441.419 2.152 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(Cc2ccccc2)c1=O 526035914 XHJPIEQOIWYRPM-GOSISDBHSA-N 434.517 2.358 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 530315698 PYZAFWGSFWQTLZ-INIZCTEOSA-N 447.507 2.054 30 10 IEEE COc1cccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C2CC2)c1 544833959 OPVIXRSKKMQONF-URXFXBBRSA-N 445.523 2.363 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 558963521 OFJUQGDRCJBGHL-QGZVFWFLSA-N 433.459 2.183 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC(C3CCOCC3)CC2)n1 577978353 XUTGRFSTUWZFOS-UHFFFAOYSA-N 441.919 3.001 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)/C=C/c1cccc(F)c1)N1C(=O)c2ccccc2C1=O 585830891 IUIKWRRXYZQMEE-DTHVEUGCSA-N 449.482 2.187 30 10 IEEE C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 587404617 DFURLVDOJATCED-GUYCJALGSA-N 445.463 2.137 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)cc2C1=O 642554281 PGTCFYLFTYLQFZ-IYBDPMFKSA-N 434.496 2.407 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1CC(=O)NC1CC1 730709370 RGVDWFPOFLWUFF-INIZCTEOSA-N 438.513 2.024 30 10 IEEE CN1CCN(C(=O)CC2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)CC2)CC1 731846709 MHYCKPZJDMXUNM-FQEVSTJZSA-N 446.555 2.100 30 10 IEEE COc1ccc(-c2nc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cs2)cc1OC 732153006 DDJUZFYOHBPTGP-HTXNQAPBSA-N 428.470 2.084 30 10 IEEE CCOC(=O)Cc1ccccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733785326 WAVLVUSBZVRRMU-UHFFFAOYSA-N 429.498 2.250 30 10 IEEE COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742704886 SGGUDOINRIEWOJ-DVXDUOKCSA-N 427.526 2.359 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 746124922 DJFIAIXGVLJEPE-MRCUWXFGSA-N 440.481 2.342 30 10 IEEE C#CCN(CC#C)C(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757497014 YMLANNCGASFSKR-QFIPXVFZSA-N 430.460 2.463 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 758756295 XRXUIAVCKSBGIW-ROUUACIJSA-N 433.553 2.180 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 763572017 VAYIJBOKXSISLU-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE N#Cc1ccc(CNC(=O)COC(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 782402132 MHWHRKSILPRZTH-UHFFFAOYSA-N 444.241 2.125 30 10 IEEE N#Cc1cc(F)c([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)C(F)(F)F)c(F)c1 783808044 IJXRZWIPTCOOHZ-VDDIYKPWSA-N 433.280 2.354 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(Cc2ccccc2)c1 789967956 UKFLEEPKQJHFSG-MRXNPFEDSA-N 436.545 2.408 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)OCC(=O)NC3CCN(C4CC4)CC3)CC2)c(F)c1 803866147 SJSNPCACHGNPPH-UHFFFAOYSA-N 428.508 2.200 30 10 IEEE C#CCN1CCC(C(=O)NC2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 812771372 RAOZYMSFJZEPQP-UHFFFAOYSA-N 432.609 2.312 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](c2cnn(C)c2)C1 849584543 XTKWOOTZOUPRDG-VABKMULXSA-N 448.571 2.023 30 10 IEEE Cn1cc(C=NNc2nc(SCC(=O)NCc3ccc(C(F)(F)F)cc3)n[nH]2)cn1 1084568940 RYZMILRXTAKTAB-UHFFFAOYSA-N 438.439 2.412 30 10 IEEE Cc1cnc2c(S(=O)(=O)NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cccc2c1 1115910600 PIXFLRVAHMVTQS-QGZVFWFLSA-N 434.477 2.273 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H]2CCOC2)CCN1C1CC1 1119042995 YJVHEHBKOMEZEG-GCJKJVERSA-N 444.543 2.344 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 1128962740 SEGLTIPKPUPCMG-UHFFFAOYSA-N 439.266 2.099 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CCN1C1CC1 1132430663 FIEBUQZYHQXEPO-LBPRGKRZSA-N 435.713 2.496 30 10 IEEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3ccc(Br)cc3C#N)C2=O)c1 1139685447 ZXLKTEKHSGELIX-IBGZPJMESA-N 443.257 2.441 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC(=O)N2C(C)(C)C)cn1 1158225607 XMBNECYMBPJSPL-KBXCAEBGSA-N 426.546 2.208 30 10 IEEE Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1161311380 HUTRNYVLRVHFDP-QFIPXVFZSA-N 436.493 2.260 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](O)[C@H]1CCc1ccccc1 1163431917 NMZJKMSKYMQBMC-UXHICEINSA-N 441.553 2.100 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1cccs1)C1(CO)CCC1 1163484390 CCKIPMVNDBXELS-KBXCAEBGSA-N 433.555 2.307 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 1165507903 JMRROFDUQKVJEC-UHFFFAOYSA-N 435.527 2.361 30 10 IEEE C=C(C)C[C@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)OCC 1183550513 IYCZYJSDQJQMTK-FQEVSTJZSA-N 437.562 2.286 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1251291609 RHFHBICAMBTZEG-UHFFFAOYSA-N 427.526 2.435 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1253779654 QTAQDXAVZODYTM-SFHVURJKSA-N 427.505 2.001 30 10 IEEE CC(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1263381662 BWKXHUQNGPDLIH-GOSISDBHSA-N 428.562 2.181 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286325588 ZPDYWBPWZUAKQB-LJQANCHMSA-N 425.489 2.483 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1286376586 MAJYPSKVRQZCAI-FQEVSTJZSA-N 442.516 2.072 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1286392133 HVZXXJQKJYFMSG-ZACQAIPSSA-N 442.532 2.234 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286523610 ANLXPUWZPYJIKG-VGOFRKELSA-N 445.564 2.282 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1286568532 TYQKUMLEDZOSDG-HNNXBMFYSA-N 434.566 2.297 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1286683321 OGFHVQYYGQBTPS-LSDHHAIUSA-N 440.595 2.279 30 10 IEEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286709192 YXQUHWGEWPAQMQ-LJQANCHMSA-N 425.489 2.235 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1286714879 UVVVHHCFMPRHBZ-QGZVFWFLSA-N 429.521 2.298 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286791342 RKSVFWFTKPCZOW-UHFFFAOYSA-N 428.537 2.079 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286828192 INLYAMIPNWGSCX-KRWDZBQOSA-N 441.605 2.048 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@]2(CCCOC2)O1 1291217713 HDLYEEZOIYJMKM-GAJHUEQPSA-N 438.532 2.069 30 10 IEEE COc1cc(Br)c(Cl)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1293032473 MGWHPNAMUFSJMK-JQIJEIRASA-N 428.670 2.367 30 10 IEEE CC/C=C\Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1293716449 BEEKAGYEHJWLTJ-LIXSYLKWSA-N 446.563 2.483 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300403004 DHASNRRQZNOCTN-UHFFFAOYSA-N 430.578 2.360 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1300489783 SBPWZMYRMCNOAK-SFHVURJKSA-N 444.557 2.389 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1300511813 LTWQMKUUBCEGOJ-KRWDZBQOSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1300528237 SWFQVYGHHNNDTL-NRFANRHFSA-N 443.555 2.088 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc(C)cn1 1300656768 BTVKJXPKJBYJHR-UHFFFAOYSA-N 432.326 2.327 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCc1cccc(C(=O)NC)c1 1300665826 OQTLPUOUKNFMDN-HXUWFJFHSA-N 425.533 2.208 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)cc2Cl)CC1 1300681325 MVPCLMXIKPYDLG-UHFFFAOYSA-N 432.931 2.207 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1300741421 WIKGPGPZJOHMQH-UGNRZPKXSA-N 438.594 2.141 30 10 IEEE C=CCSCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301608853 ARLHHHBPXJNZHW-PXNSSMCTSA-N 432.638 2.454 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NC2CCCCC2)CCOC1 1301953940 VQGKTNXNNZRXNO-HTAPYJJXSA-N 432.569 2.363 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N1CCOCC1 1301956271 HRRGCZXNYGXRTP-HNNXBMFYSA-N 448.474 2.391 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1304855664 GZFJNSUKJIFAPO-IBGZPJMESA-N 427.553 2.330 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1312615291 HLEYPVVTNMHRFJ-LULLPPNCSA-N 433.553 2.403 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 1312938162 XMVVUDAZDBDJKL-WOJBJXKFSA-N 449.393 2.219 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)C1CCOCC1 1313043677 SWXMYEUNBQAIPL-KDOFPFPSSA-N 427.314 2.467 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CC1 1315054582 GZYKAZXCMSTILI-QGZVFWFLSA-N 425.562 2.421 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)cc1 1355745374 LLSSJSDSNAVLFD-DABWLCNRSA-N 432.546 2.134 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1358872708 XTYHYENBGNOTBC-CHWSQXEVSA-N 434.547 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1358885975 VIWFHHXPKKVNJC-QZTJIDSGSA-N 433.560 2.382 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1358934623 HSHNOSLJVAFBKV-FQEVSTJZSA-N 441.507 2.237 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358955335 KBCRHBDPXLNZGQ-RBUKOAKNSA-N 435.638 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(=O)NCC)CCC1 1358970968 CFUDGTSCWNQGMM-UHFFFAOYSA-N 443.349 2.415 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1358991193 QNRZUPYPIFHFKZ-KRWDZBQOSA-N 425.537 2.302 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1359074780 RBRRZGWKNUSHLQ-DDOIHHOZSA-N 445.564 2.456 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N(C)C)CC1 1359177285 HNIGAIRRIMXBNM-UHFFFAOYSA-N 435.532 2.073 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359210435 STJCIYHKWLAKBA-UHFFFAOYSA-N 427.509 2.030 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1359235169 PNSVSHNTUCJBHH-UHFFFAOYSA-N 440.953 2.169 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2C[C@H]1CO2)C(C)C 1359265248 BUDHHHRCJOLIQA-VNTMZGSJSA-N 428.581 2.295 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359295706 LKJCAXKMZWGLCM-HNNXBMFYSA-N 448.930 2.392 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359345460 GXEGIVFAMSGOQD-KBPBESRZSA-N 433.500 2.476 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 1361283152 BLCGVQWASPPIET-UHFFFAOYSA-N 438.513 2.481 30 10 IEEE COc1cc(CNC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)ccc1C#N 1436165880 HYSLXWIKXRBABS-UHFFFAOYSA-N 429.436 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1450459613 DBFYVZRDPGMWIT-MOPGFXCFSA-N 437.500 2.464 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1459882907 RIKBHXBVAWJFBQ-FQEVSTJZSA-N 432.571 2.069 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1 1464643447 WCXHDXVOEWIGLA-UHFFFAOYSA-N 440.504 2.198 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 1464962671 GEGAQARDWROEBP-UHFFFAOYSA-N 432.546 2.320 30 10 IEEE Cn1cc(CNC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)c(-c2ccc(C#N)cc2)n1 1466802485 QBIRVWLLKSYKRL-UHFFFAOYSA-N 439.516 2.241 30 10 IEEE N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)C1=O 1473868021 FAROEMVSZVGOFA-WOSRLPQWSA-N 433.477 2.167 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1501805619 CCHFEQADLDDCTF-MGPUTAFESA-N 433.557 2.442 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504615684 TYFOOLBNAXVXAM-AEFFLSMTSA-N 432.475 2.157 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)CN1CCOCC1 1507522720 XRSGRXNCGQRQTD-QZTJIDSGSA-N 427.549 2.389 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1507523726 OWSSTIZRJCIZML-ZWKOTPCHSA-N 427.549 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc(CC)s1 1507660936 HWLBPIMHCRORSE-OAQYLSRUSA-N 428.562 2.244 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1507717420 CDPZUZUTJYWDDX-HSZRJFAPSA-N 427.549 2.125 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507753480 NQXAVEKYDMNPSC-QUCCMNQESA-N 439.585 2.494 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1507883742 HRRQIBDNBURTBY-SFHVURJKSA-N 429.546 2.032 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1507902776 GXQFWLLGZDCFPH-SFHVURJKSA-N 425.599 2.246 30 10 IEEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507966858 YHOSUVZLWKTXJI-KRWDZBQOSA-N 446.939 2.317 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1507997584 BPWGPEGRBYCAJR-PMACEKPBSA-N 441.532 2.236 30 10 IEEE CCOCc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1516446049 FVLVOHNPRXDCPT-WIYYLYMNSA-N 447.536 2.207 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1516734473 VKGIMPZXWSBHNO-PXNSSMCTSA-N 440.548 2.221 30 10 IEEE COCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1518789236 IRAAEJCCCRWIMV-MRXNPFEDSA-N 432.912 2.165 30 10 IEEE CN1CCN(c2ccc(Br)cc2NC(=O)CC2(C#N)CCOCC2)CC1=O 1528397679 ZAJRFPOMLGISBD-UHFFFAOYSA-N 435.322 2.376 30 10 IEEE C#C[C@H]1COCCN1C(=O)Cc1cc(Br)cc(I)c1 1535553466 WNFMUKZQERBKGL-ZDUSSCGKSA-N 434.071 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCCC2)CCOCC1 1538962768 PKCLUWRRHWCDEN-GOSISDBHSA-N 430.597 2.299 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCN(C)C 1539015670 VQOLKSMDIMTYOM-GOSISDBHSA-N 448.612 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(C)(=O)=O)cc1 1539037097 BTNLYUWRKUCIAR-QRFRQXIXSA-N 446.573 2.106 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1539127553 LHYNEIBNZYRWBW-UHFFFAOYSA-N 430.512 2.345 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1539154340 OVOXXEYJELGTDA-QHCPKHFHSA-N 439.516 2.393 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539203810 VKKSFWNQLVFOOG-UONOGXRCSA-N 436.500 2.170 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)CC1 1539454048 VHRWEWQXPRLWOK-UHFFFAOYSA-N 438.967 2.039 30 10 IEEE COCCN(CCOC)C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1539529047 KXBPSTSFOPYNEA-UHFFFAOYSA-N 438.366 2.449 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1540873872 MPDBJODFLGJANX-UHFFFAOYSA-N 442.589 2.337 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1540969891 ATBIPOMWYJRRFA-OAQYLSRUSA-N 436.516 2.132 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)C1 1541031845 DMZHVLBGUMRHKU-NRFANRHFSA-N 449.559 2.324 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1541293774 FVBOZMSJNKZFAF-HSZRJFAPSA-N 432.532 2.340 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)OCc2cc(Br)cc(C#N)c2)[C@H]1c1nccn1C 1542551413 WZDGIUXQTNTHKR-IRXDYDNUSA-N 447.289 2.086 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1544404252 QORBHUNCTWBIGL-CTNGQTDRSA-N 448.479 2.372 30 10 IEEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1555497664 ZMEVRHFACOEBIV-HXUWFJFHSA-N 441.557 2.382 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)CC1 1560178761 DXYBIYOCBHRXTF-NMMYMHLASA-N 447.624 2.448 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCOCC1 1565080047 WNLKSQXGEXRQDP-QGZVFWFLSA-N 445.520 2.190 30 10 IEEE Cc1c(Br)cnc(O)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1567387484 BERSJQIOZLDNEP-CMPLNLGQSA-N 425.283 2.347 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)N(C)[C@H](C#N)C3(SC)CC3)CC2=O)cc1OC 1583141653 ZKBCVJGOBIXZNX-VQIMIIECSA-N 431.558 2.341 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2)cc1 1583811328 CJSZPJLCFUFCOO-IRLDBZIGSA-N 441.553 2.459 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 1583811799 MLNWOJAZEXMYFM-NRFANRHFSA-N 439.493 2.435 30 10 IEEE C#Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)c1 1583839642 IZIIIYVDCIQMRI-UHFFFAOYSA-N 440.521 2.172 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCN1CC 1587921899 MASSAHURQPQYEW-GOSISDBHSA-N 443.621 2.490 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@H](O)CC3(CCOCC3)C2)C1 1588190347 GQMVFHKZYAUTOM-QGZVFWFLSA-N 434.334 2.147 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1589544787 JZRTWFLHANCELP-KNKQGSTJSA-N 444.624 2.391 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1593769517 OYVIUVMIJPJXNL-LPHOPBHVSA-N 429.496 2.304 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1593788877 DUDIGZUEPMAXRK-HXUWFJFHSA-N 425.533 2.181 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1594499045 ZJVGMGVNUDKMSU-JKSUJKDBSA-N 439.582 2.059 30 10 IEEE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1594974780 RINLLOIVPURUQG-VWNXMTODSA-N 437.565 2.454 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)C1 1595673881 KXLIEPYMEHLCHL-MKTHODDLSA-N 446.577 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595811832 CFMWAQXVUPFVSJ-SFHVURJKSA-N 432.594 2.339 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1595895822 QTHAAYWYVLUATR-KRWDZBQOSA-N 448.637 2.451 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1597812084 DSJRDDIGEJROKV-OAHLLOKOSA-N 442.994 2.382 30 10 IEEE CC(C)OCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1611049317 HVNFLGQOGRTYDO-IBGZPJMESA-N 425.537 2.190 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1611780032 FLURFDUEYXTJCY-CZUORRHYSA-N 432.887 2.381 30 10 IEEE CN(Cc1ccsc1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1617998089 AGKFMVKACDGMED-QZQOTICOSA-N 449.540 2.488 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1618889047 GDPIHSHIAGKXKM-IBGZPJMESA-N 435.488 2.024 30 10 IEEE C#CCOc1ccccc1NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1623832024 XXYVGANDLHQSPB-UHFFFAOYSA-N 432.458 2.049 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)C2=O)cc1 1632770461 WZRUDAFBMKQLDW-INIZCTEOSA-N 446.294 2.302 30 10 IEEE COC(=O)C[C@@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCOC1 1633403817 MVGAPNHHQKMDSS-SHCPHELZSA-N 435.521 2.002 30 10 IEEE CCOCn1nc(C)c(C[C@H](C)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C 1636271088 RWMNQFKIKAXGAJ-HOTGVXAUSA-N 425.537 2.072 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN[C@@H](c4ccccc4)C3)CC2)cc1 1638078131 AMQZULUVCQQGNX-JOCHJYFZSA-N 438.553 2.132 30 10 IEEE C=CCc1cc(C(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)OC)cc(OC)c1OC 1638590192 DTNMWKQGQNSVQG-XJKSGUPXSA-N 436.530 2.015 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 1640090775 UJQNETVRKJFVGM-QGZVFWFLSA-N 433.555 2.080 30 10 IEEE C#C[C@H](NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 1640925542 KQORRJBTXUVNQM-KRWDZBQOSA-N 432.464 2.309 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](C)N(CCO)C[C@H]2C)cc1 1643486365 KQPMDPYPMCDJSB-DLBZAZTESA-N 439.560 2.300 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1643532265 ISZXVHRMVPNPBM-CQSZACIVSA-N 443.363 2.249 30 10 IEEE Cc1ccc(CN2CCO[C@@H](CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)cc1 1643800230 NIAUZHNABACOOT-QFIPXVFZSA-N 430.512 2.265 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(C(=O)OC)cc3)C[C@H]2C)c1 1644516686 VTPUPDUYQYZFIH-QGZVFWFLSA-N 434.496 2.313 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 1648027536 CURZLTUDPLLXIX-AWEZNQCLSA-N 438.431 2.037 30 10 IEEE N#Cc1cn(C2CN(C(=O)[C@@H](c3c(F)cccc3Cl)N3CCCCC3)C2)c(=O)nc1O 1648790655 PMYHBBPDBVPGLQ-GOSISDBHSA-N 445.882 2.224 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C)CC2)c1 1649663717 GWBRRKYSJXNACF-HXUWFJFHSA-N 432.525 2.437 30 10 IEEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)c2C1 1651184723 ISCDNHAVXLMFRQ-MRXNPFEDSA-N 430.358 2.280 30 10 IEEE N#Cc1ncccc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1656552925 APDXZBWCDIDMFG-UHFFFAOYSA-N 442.975 2.293 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC3(CCC3)S(=O)(=O)CC2)ccc1Br 1662537545 FMKQOEDOQVAMPA-UHFFFAOYSA-N 433.349 2.053 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)C1 1666053252 JRXYOFTVTSHOKK-LBPRGKRZSA-N 431.743 2.126 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(I)s1 1670200706 QWQVFEFGEVQQSO-UHFFFAOYSA-N 441.312 2.318 30 10 IEEE C=CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1670971670 QOZQWBVSNUAADI-STQMWFEESA-N 443.488 2.217 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@@H](O)COCc3ccccc3)C2=O)cc1 1671576153 DLHDJIKSVZDFIT-YADHBBJMSA-N 436.512 2.321 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1 1671875725 YWWLCBZFCXTSKS-XBMUEBEBSA-N 426.521 2.233 30 10 IEEE C=CCn1cc2ccc(NC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2n1 1675012867 JNMIZUXGYUBSTP-UHFFFAOYSA-N 432.484 2.116 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccc(C#N)nc3)CC1)CCS2 1676614028 JWIKPRKAMBAZQB-TZQQIIETSA-N 429.546 2.002 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1681301826 SDULTMXWTOZOFO-PMACEKPBSA-N 426.517 2.329 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1689939763 BVSCVYVSCXQIGP-UHFFFAOYSA-N 449.602 2.074 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nc(C)ns2)CC1 1689943054 JCUSFVKLCJVOOS-ROUUACIJSA-N 445.593 2.292 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1CC 1689955329 CONWRLHKXVDMDR-UHFFFAOYSA-N 430.310 2.445 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1690026523 CEQXDSIEOPYUDN-UHFFFAOYSA-N 436.907 2.028 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1690114649 BXVGIZADVAQIAS-HOYKHHGWSA-N 439.560 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@](=O)C(C)(C)C)CC1 1690117271 BFYNZLQRRJUBBN-LJAQVGFWSA-N 434.997 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(=C)Br)CC1 1690142862 VPVYECIYUNAAIT-UHFFFAOYSA-N 429.322 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(OC)C2CC2)CC1 1690144362 WFFWSLUERHNJSB-XXBNENTESA-N 429.565 2.301 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690220198 UBGQEXQDRIHKRQ-HOCLYGCPSA-N 444.374 2.263 30 10 IEEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCN(C)C1 1690611757 YMLYXQBPAVCYNR-QHCPKHFHSA-N 425.577 2.454 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1690674364 YDKGMUJIRLSXGK-UHFFFAOYSA-N 442.539 2.003 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690683879 YGVIQTBSTSGOFR-ZWKOTPCHSA-N 432.546 2.018 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1690746896 MOIMCXGGEALFDX-UWJYYQICSA-N 429.546 2.412 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN(C)CC(F)(F)F)CCOC1 1690995684 LWFPKYGYCVWTER-QAPCUYQASA-N 432.491 2.409 30 10 IEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c(F)c1 1693087542 SJKRPNCGAIRCNG-UHFFFAOYSA-N 449.490 2.447 30 10 IEEE CN(C)[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1696604892 YYMXAPAUEVDQGH-YLJYHZDGSA-N 443.533 2.019 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(OC)CCOC2)c1 1697302449 CJIXXRCXCRXMNB-SFTDATJTSA-N 431.468 2.210 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC[C@H]1C 1697696135 VBNUVZLMWDPCKY-YLJYHZDGSA-N 441.532 2.131 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1705490894 STCPNYMGMLQQGF-INIZCTEOSA-N 442.527 2.159 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1705514676 FLTADTKPHVQQLE-KRWDZBQOSA-N 447.543 2.145 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2ccccc2)C1 1705524260 IIQRECVDAGZJAD-PKOBYXMFSA-N 431.562 2.097 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705558656 DLUKVBXZTWAWKF-ZJOUEHCJSA-N 443.548 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1705599636 SHVBGRLHIFOMRL-UHFFFAOYSA-N 428.533 2.296 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nc(C)c(C)s2)CC1 1705643325 AZUISKAJUUBGAI-ICSRJNTNSA-N 444.605 2.073 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1705876242 RZQUNMHCTQSLLG-SFHVURJKSA-N 439.545 2.192 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705902525 GOMUJBIIOPCECD-HXUWFJFHSA-N 438.576 2.418 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705907067 YVOFVOYLUZFMFV-CRAIPNDOSA-N 449.939 2.053 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705933831 SODLJKJRJWWJKE-UFRUDQCGSA-N 446.573 2.152 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H](C)S1 1708181006 HUEFDPQFXSJFQS-HZPDHXFCSA-N 426.546 2.006 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C 1710277488 DSDWPMNVEUIBCG-GOSISDBHSA-N 431.544 2.403 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1711799158 MJCFGSNKTBQPPJ-WZONZLPQSA-N 440.523 2.429 30 10 IEEE COCC1(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCCC1 1712190380 RAKQUDXEMUEVLS-IBGZPJMESA-N 443.596 2.190 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CC(F)(F)C1 1712453251 HDCJTFSGIGIGKR-UHFFFAOYSA-N 443.462 2.333 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1712875605 QIGZXJCFBXMIJZ-AUUYWEPGSA-N 448.480 2.120 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCCCCC2)CCO1 1712884963 WOWOCGCNCAWINV-GOSISDBHSA-N 428.562 2.452 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C 1722341715 BIYFGCPFTIUJJX-UHFFFAOYSA-N 427.509 2.252 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722358090 DJUXCEOXQFLBLJ-SJORKVTESA-N 435.619 2.393 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OC)c2OC)CC1 1722438714 ZHOCYRCHDSHFRR-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1722492443 SMBNBXBTSIELKA-BJLQDIEVSA-N 447.580 2.090 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N2CCCNC2=O)CC1 1722501809 QBKFVAISSDQXRY-PXNSSMCTSA-N 432.569 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722509203 NXXOBOJVNGDKTB-MJGOQNOKSA-N 437.610 2.435 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2CCOC[C@@H]2C1)c1ccccc1 1722539532 SFXIHJUAOKXYOB-FPOVZHCZSA-N 427.549 2.236 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1)C1CC1 1722646910 MYZRSRCRWYJQMV-AWEZNQCLSA-N 436.557 2.297 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cnn(C)c1C 1722701758 CJAJRILHKRLULH-UHFFFAOYSA-N 437.548 2.454 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCS(=O)CC2)cc1 1722702093 DEMGDJXBUPCYSD-UHFFFAOYSA-N 445.589 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCCS2(=O)=O)C1 1722718198 QRTMQYPMEZLOTC-HXUWFJFHSA-N 445.589 2.324 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1727869033 GAGHRRHMTMNSJZ-ZMBJWTFHSA-N 449.515 2.168 30 10 IEEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)Cc1ccccc1 1729533758 FYFZUIQUFHSCMI-HXUWFJFHSA-N 442.589 2.052 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1730925003 RVPXJGABQSZDNL-GOSISDBHSA-N 441.532 2.254 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccco2)C1 1731179715 FYSJADYZYOEBEM-LJQANCHMSA-N 429.843 2.458 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(COc2ccccc2F)nnc1N1CC=CCC1 1731218603 KYABRDBPDFAMAJ-QZQOTICOSA-N 438.463 2.289 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2s1 1740630151 GBTKZMJVGPUUBX-INIZCTEOSA-N 441.582 2.419 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1740672033 VEFONDWIOCBXSK-HXUWFJFHSA-N 445.589 2.044 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC(C)C)nc2)CC1 1740698001 MBLGVRCAFCWTQO-UHFFFAOYSA-N 431.544 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCSCC(F)(F)F)CC1 1740707884 UICUKNZOOGOKTD-UHFFFAOYSA-N 433.500 2.076 30 10 IEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740878170 SQUGOJSHOVQKBB-UHFFFAOYSA-N 435.532 2.430 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740914460 RYPGKFPOWMWQRX-QFIPXVFZSA-N 448.589 2.227 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1740947447 ZNNNEDALFPSWKO-GOSISDBHSA-N 431.562 2.259 30 10 IEEE CCCOCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1745847758 QBSLFZNDBBLGHB-LJQANCHMSA-N 426.521 2.120 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC#N)CC1 1747433378 PBUGBKSTEOZHSO-UHFFFAOYSA-N 446.577 2.413 30 10 IEEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1748727915 ZEJJVASURHXFHG-FQEVSTJZSA-N 430.597 2.141 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1748817842 RJNNUXOMTLTDEL-KRWDZBQOSA-N 431.562 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(C)c1 1748864417 WQOGUVXXYTUJEH-RBUKOAKNSA-N 443.573 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCc1ccc2c(c1)OCCO2 1748964294 BLLHRMUKUXFHMJ-UHFFFAOYSA-N 433.512 2.364 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2OCCC2(C)C)n1 1748971701 ZCCDWHCPWYWIQW-QUCCMNQESA-N 442.564 2.080 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCC)c(OC)c2)CC1 1748984427 RHTOCBBEJMFLPK-UHFFFAOYSA-N 434.544 2.494 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCCCOC)c2)CC1 1748986707 HTUVYPMIJCSUFE-UHFFFAOYSA-N 434.544 2.492 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCN2CC)CC1 1749000147 ORQVDVFPHIEBMY-IBGZPJMESA-N 426.540 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCOC2CCOCC2)CC1 1749015126 SLTTVZVRCJAFIA-UHFFFAOYSA-N 445.608 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749132908 FSJIDYJDQCUYCF-MZKRTTBSSA-N 444.624 2.345 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749760251 HAMCKDZPPIOLTK-SFHVURJKSA-N 445.593 2.114 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)C[C@H]1OC 1750190393 WBQFSJYJAOZDND-ZCNNSNEGSA-N 441.532 2.394 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760149266 COOWUCXDZXCOSU-UHFFFAOYSA-N 426.952 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2)cc1 1760217952 SGJUQRNSBMFPPX-JOCHJYFZSA-N 430.556 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1CCN(C(C)=O)CC1 1760245212 VZPPKBOWIIXZIL-UHFFFAOYSA-N 425.533 2.298 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1760246487 RPGSEINKPGBUPH-UHFFFAOYSA-N 428.537 2.237 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1760266870 PQKHKZZZDJSEMU-DEOSSOPVSA-N 437.544 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](COC)OC)CC1 1760267745 YFENMACYRRGQNS-IBGZPJMESA-N 445.951 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(=O)N(C)C2CCCCC2)CC1 1760268322 HXDSTNHQOHQZJV-UHFFFAOYSA-N 440.592 2.303 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760282192 XLZVNEMBNXPQBE-HXUWFJFHSA-N 446.665 2.143 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1760326302 VRSNAFROHVFTNX-NQIIRXRSSA-N 446.573 2.116 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1760440285 GHRHFGPLFLPVGD-HXUWFJFHSA-N 445.589 2.182 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)C)CC1 1760445614 QFKRUJXINBXNMN-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760518412 UHQAFEBRPZAZKC-LJQANCHMSA-N 444.967 2.202 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ccccc2CO)CC1 1760523906 KQMIWHYDEMTNRO-HXUWFJFHSA-N 439.560 2.351 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1766586131 ABQNPBMZKSDQHV-FXAWDEMLSA-N 436.564 2.103 30 10 IEEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1768012370 BGYJGHZZURYSHE-UGKGYDQZSA-N 437.592 2.456 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1769659058 PJKQCGXOOZLLSR-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770309597 HUQKJCSXQOKIFS-SFHVURJKSA-N 429.546 2.311 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789659 CSMITYPPFVDOGJ-KRWDZBQOSA-N 426.450 2.355 30 10 IEEE N#Cc1cccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC[C@H](CF)C4)ccc32)c1 1856360040 BSGWSLMAQFQECI-OAHLLOKOSA-N 427.457 2.268 30 10 IEEE CCN(CCNS(=O)(=O)c1ccccc1C#N)S(=O)(=O)c1ccc(Cl)s1 1858017568 UXLXFXDECANQIZ-UHFFFAOYSA-N 433.964 2.262 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H]1CCCN(C)C1 1862005363 ZQVIJOSTHHRDNK-RBBKRZOGSA-N 427.545 2.182 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(F)c3)CC2=O)cc1 1870111003 SEVAYNLTTNPCPZ-HNNXBMFYSA-N 434.431 2.337 30 10 IEEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870510078 VJCUOGAICAHNLB-UHFFFAOYSA-N 442.535 2.399 30 10 IEEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 1870567663 CWEQYGAGZFUVQY-UHFFFAOYSA-N 430.936 2.135 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)nc(Nc2ccc(O)cc2)[nH]1 1871720423 XMWZBHZLGTZBBI-UHFFFAOYSA-N 425.537 2.055 30 10 IEEE C=CCOc1ccccc1OCc1nnc(SCC(=O)Nc2nnc(C)s2)n1N 1874554696 TZTLTCVITIEYJS-UHFFFAOYSA-N 433.519 2.026 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3ccccc3F)CC2)CC1 1890179903 LWFPQVWIZKZCSR-FQEVSTJZSA-N 431.552 2.242 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1985008224 GCERVPDFEYBPNH-PMPSAXMXSA-N 427.542 2.190 30 10 IEEE CC(C)(C#CC(=O)Nc1ncc(I)cn1)NC(=O)OC(C)(C)C 1993948792 ZILXDNYOIVHPSK-UHFFFAOYSA-N 430.246 2.326 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060623736 QDSFNIICTCHYOW-MMXNSUMOSA-N 436.358 2.203 30 10 IEEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2195274403 XDVDQFVRHQMDFQ-WIRSXHRWSA-N 439.530 2.277 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C 2250057673 JYKJBXZESFSBJP-YPENRWOSSA-N 439.509 2.131 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255649867 MNUCOCMPXDVURB-VXGBXAGGSA-N 430.232 2.250 30 10 IEEE CCC[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255655855 RWXFBOZGVMHXRV-CQSZACIVSA-N 436.362 2.143 30 10 IEEE C[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2255697110 DJQOLCVERXCBSI-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)=NO2)C1 2256626875 OZDRNKUIPMVCNI-OAQYLSRUSA-N 435.330 2.446 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259934337 UWDKJMHLMURSEI-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)CC1 2266976861 HNINURGGEQZXBE-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2266992390 SVVMRUAFLXLWKZ-ALXJQNPVSA-N 443.353 2.318 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267198048 SNDYPFSEQPQFRA-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267263440 FYEOQDWPHSYOLS-PIIMJCKOSA-N 443.353 2.318 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267552780 VXBUSEAJUOVFEJ-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)C#Cc2ccc(Br)cc2)C1 2278799666 JTVQVUCDODXRGJ-MRXNPFEDSA-N 442.331 2.404 30 10 IEEE CC1([C@@H]2CCCCN2S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)OCCO1 2282853253 AGLQTTNKHPAIIK-HNNXBMFYSA-N 443.396 2.354 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C 2296291760 RXYJBRWYMPLZIP-KZNAEPCWSA-N 439.350 2.385 30 10 IEEE CON(CCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2300339945 LRLLWXJSUHSGTL-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 2314457433 JKYKPHUMNIZFKX-NSHDSACASA-N 446.554 2.088 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1n[nH]cc1CNC(=O)OC(C)(C)C 2352399220 BLMOPFATGCTLDM-UHFFFAOYSA-N 445.329 2.324 30 10 IEEE O=C(COC(=O)c1cccc(O)c1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 10529531 DAQSBSKINZTPMJ-UHFFFAOYSA-N 445.497 2.439 30 10 IEEE CCCN(CCC#N)C(=O)CN1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C 34792815 KASDRHWVVHZZKJ-IBGZPJMESA-N 429.908 2.285 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc1OC 59309859 ZAXJYLFPBSPPET-AWQFTUOYSA-N 444.521 2.349 30 10 IEEE CN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)S/C1=N/c1cccc(C(=O)O)c1 101132384 GRAJFCVPNODDNB-CFCQKYAVSA-N 437.433 2.420 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 108119238 BJXJWTCJZWHYOV-NRFANRHFSA-N 441.553 2.424 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 238860578 KOMGKVXITGTYLO-QGZVFWFLSA-N 428.514 2.143 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC3(CCOCC3)c3ccccc32)n1 434544393 XFVCUVUFRXREBX-UHFFFAOYSA-N 445.454 2.917 30 10 IEEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1=O 437823120 QHJGUKXBEOFQAE-KCPJHIHWSA-N 428.543 2.833 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 460934053 YVSRQFXIAYMELR-MJGOQNOKSA-N 444.605 2.444 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C(C)(C)C#N)cc4)CC3)C2=O)n(C)n1 476665845 TUWQRNRMXQBTMR-NRFANRHFSA-N 448.571 2.483 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 506910456 NFLVYIMWRMAFKV-UHFFFAOYSA-N 433.434 2.333 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccn(C)c2=O)CC1 508746046 IYTOFLACIYGSTH-MRXNPFEDSA-N 439.495 2.164 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 543860863 QAYUNBQKDFCRER-OLZOCXBDSA-N 447.538 2.177 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 546214578 IDEQLNDBZKEPQQ-SFHVURJKSA-N 442.882 2.383 30 10 IEEE CNC(=O)c1cncc(/C=C/C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1 732410187 YTXAWVGOGUPXLA-SCOAYWHSSA-N 436.468 2.342 30 10 IEEE C[C@H](CC(=O)N(C)Cc1cnn(-c2ccccc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742498134 MDJOVPFQZJOYBC-MRXNPFEDSA-N 437.525 2.348 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)CC2)o1 745226838 AJXRQDQSMJCLIT-GOEBONIOSA-N 430.411 2.128 30 10 IEEE COc1ccc(COC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1C#N 747038179 XJWFIVITIIPMQD-RVPHRTOXSA-N 433.464 2.413 30 10 IEEE C=CCn1c(-c2ccccc2OC)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 751936820 IUJKNYJJAXNYFB-UHFFFAOYSA-N 437.591 2.200 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cnc(C2CC2)nc1 756084035 FTLOYYRYWZWLTA-GOSISDBHSA-N 441.557 2.310 30 10 IEEE C=C[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757471228 PNPNHDJZUSXMQP-VFNWGFHPSA-N 438.480 2.422 30 10 IEEE Cc1sc2ncn(CCC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(=O)c2c1C 757595024 ODINEWCALCHXQH-LSDHHAIUSA-N 445.545 2.340 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 758640841 AMZUTNNKRFEOIO-YPMHNXCESA-N 443.909 2.149 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)S/C2=N/[C@@H](C)c2cccs2)C1 760322449 MLCSRABEALZBLS-YZNQHSICSA-N 437.591 2.049 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2COC3(CCCC3)O2)C1=O 773178005 PTXCGMFZXIMGBT-NVXWUHKLSA-N 428.514 2.312 30 10 IEEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 774048444 NIUYYKVLNJOMRI-QGZVFWFLSA-N 426.560 2.054 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 779858050 URIYOSOMTVMODK-PGMHBOJBSA-N 434.478 2.174 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccco3)C2=O)cc1 780895156 XNBVWXYSCLUYAV-SLFFLAALSA-N 438.484 2.181 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c(C)c1 786684393 WTQXLQGHRMMFNX-SFHVURJKSA-N 449.598 2.338 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)n1 791012571 DRJNUDPDCDRAIO-UHFFFAOYSA-N 431.452 2.485 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 800775224 JEYUHQQMCZOIAT-UHFFFAOYSA-N 428.493 2.169 30 10 IEEE CCOc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807940555 XLCOGUMPKBFRJL-QGZVFWFLSA-N 428.518 2.014 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2ccc(=O)n(C)c2)no1 809478595 QETYUUOQOJBMBP-HNNXBMFYSA-N 427.486 2.405 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(Cl)cc1 811948728 HWMSTZKPRUUVBX-GOSISDBHSA-N 434.949 2.273 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1Br 1127419403 CGJCHYGLEADYFK-SFHVURJKSA-N 443.301 2.402 30 10 IEEE CN(C)CCOc1ccc(CCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1139811314 JPSACBSXLBODRJ-HSZRJFAPSA-N 434.540 2.349 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)c3c(Br)nc4n3CCOC4)[nH]2)c1 1150300665 QSIKBOFVCRKONA-UHFFFAOYSA-N 427.262 2.368 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](S(C)(=O)=O)CC3)C2)C1 1155508191 ZAXZLNZPKIPRGM-NHUHVJRWSA-N 439.578 2.199 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1156392271 HVZWZXDHLSVIBL-SJORKVTESA-N 429.583 2.263 30 10 IEEE C#C[C@H]1CCCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1163597944 HFMPOTYHOWDNBU-ROUUACIJSA-N 440.569 2.416 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCCC1 1164040641 WHZDVQVNFJQMEF-HNAYVOBHSA-N 435.546 2.243 30 10 IEEE N#CC1(C[C@@H](O)CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCC1 1167654069 WAQXRHUDEUYJHH-GOSISDBHSA-N 435.366 2.450 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 1179869933 WJGQQKYKGXUOPY-UHFFFAOYSA-N 445.353 2.372 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1208011728 CRRIYAIEKFJJTL-HOCLYGCPSA-N 425.938 2.219 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCn1nc(C)oc1=O 1209065580 TUHZKWBRXSBUFU-UHFFFAOYSA-N 434.287 2.064 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2Oc2cccc(C)c2)CC1 1221836426 YMUFCTAQWYVFSI-UHFFFAOYSA-N 442.541 2.082 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1253686246 YIAZVFKYDXVECK-UHFFFAOYSA-N 448.475 2.085 30 10 IEEE C[C@@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1265982503 PFPZTCZXSNEJGN-GAJHUEQPSA-N 428.533 2.485 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](OC)C1CC1 1286275604 ONKFACNVKGWHFN-YOEHRIQHSA-N 430.578 2.430 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286322375 BRSSFQAOWHBKTR-MOPGFXCFSA-N 434.548 2.352 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1286363230 LNQKGVRFERGTLN-QPPBQGQZSA-N 439.560 2.073 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(OC)CCCC2)CC1 1286472828 LTAZGCDFWZKWTR-QHCPKHFHSA-N 431.581 2.033 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1286501410 XDIUVUNOAAPUMR-QGZVFWFLSA-N 447.992 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1286516197 YHVBRLDGIFUIGO-PTUXOGIPSA-N 431.581 2.032 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1286566123 KZSUPFMCMMIUMA-SFHVURJKSA-N 447.605 2.472 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@]3(CCOC3)O2)C1 1286799404 VSLASJQPUKNFOM-DNVFCKCGSA-N 447.580 2.316 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2)C1 1286810751 VJAHWEZEGLHWLD-ICSRJNTNSA-N 446.573 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccn1C 1286824923 KEABNYFHXDYMGU-HNNXBMFYSA-N 437.476 2.405 30 10 IEEE CC(C)CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287849396 BHKDAMSYDNPQMU-LJQANCHMSA-N 445.637 2.470 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)c1 1289512837 GICQHKHXNWHKDX-GOSISDBHSA-N 426.521 2.071 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)NC3(C(=O)N4CCOCC4)CCCCC3)C2)c(F)c1 1289747280 BUECDIYQIRDTKZ-GOSISDBHSA-N 428.508 2.202 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)C2=O)cc1 1297333597 GIYBQTXXAABYSE-BDTNDASRSA-N 446.507 2.480 30 10 IEEE COc1ccc2c(c1)CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1298281319 NEBLLWFFGZEVCR-IBGZPJMESA-N 434.452 2.193 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424857 NNKIVIXEIORJRL-XXBNENTESA-N 431.581 2.473 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCCC2)nc1 1300554050 YMLUCIWZFJDZEA-UNMCSNQZSA-N 434.544 2.118 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC2(C1)OCCO2 1300656642 LJAUKRFLZJFUML-QGZVFWFLSA-N 441.488 2.483 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)Cc2ccccc2)CC1 1300683055 LBYVMJPKJNLQMB-IBGZPJMESA-N 429.590 2.162 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccccn2)CC1 1300729245 RYFGQVJDKJXTMG-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1300780633 VLHHNYFUZJXRSW-HTAPYJJXSA-N 444.605 2.189 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1301071927 AYFYQZMQNBNNFC-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)CC1 1301086919 PCNHMOACXYPORN-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301605923 DCDWSURPTDMFGO-UHFFFAOYSA-N 432.598 2.228 30 10 IEEE C#CCC1(O)CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 1303025738 HMSRBUDUGRAWTD-UHFFFAOYSA-N 436.249 2.123 30 10 IEEE CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1303192697 YKFHOFQRQKHTQM-DLBZAZTESA-N 426.521 2.378 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]cc(I)c1=O 1303711578 NGKYTBSYACOAHM-NSHDSACASA-N 445.257 2.225 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)no1 1304217412 CIZLAXBQHWIETO-UHFFFAOYSA-N 426.502 2.175 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)c1cc(C#N)c(Br)cn1 1307141623 YDOUNIQOAZVLIM-UHFFFAOYSA-N 429.271 2.017 30 10 IEEE CCOCc1nnc(N2CCN(Cc3cnc(C)s3)CC2)n1Cc1ccc(C#N)o1 1314396251 JCTUPWLJGMOUQZ-UHFFFAOYSA-N 427.534 2.415 30 10 IEEE CCSCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314617023 SDMWLHHRWJOSHL-SJORKVTESA-N 442.593 2.302 30 10 IEEE CN(C)C(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1314637822 FYZPMOOMOHABEF-UHFFFAOYSA-N 434.504 2.202 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCCCC2=O)CCO1 1316539677 FPXYRSOQNULCNI-KRWDZBQOSA-N 442.495 2.128 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1358927435 YLALYFFDDYBSST-UHFFFAOYSA-N 447.543 2.147 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1358985109 POEVNYXLVLTTQI-KRWDZBQOSA-N 438.557 2.075 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnc(C)s1 1359021349 LTMPJQKLQYGFBS-UHFFFAOYSA-N 428.518 2.257 30 10 IEEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359151786 BGGLWWLCYJEISG-UHFFFAOYSA-N 448.033 2.496 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)CC1 1359174341 AHPUOHWXWDHVDY-QHCPKHFHSA-N 433.597 2.443 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1Br 1445642682 AHACYWWTMQRJLD-UHFFFAOYSA-N 444.285 2.390 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)OCC 1462159519 ZFBMISLYUPARDE-ZDUSSCGKSA-N 434.836 2.253 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)cc(OC)c1OC 1464575744 ZUIUWPMRRGYVEH-MCIONIFRSA-N 432.395 2.377 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1464619943 ULYSHAPFKMCBHR-FQEVSTJZSA-N 433.574 2.004 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2noc(CC)n2)CC1 1464877593 BAODTZKHDTWHBJ-AWEZNQCLSA-N 427.933 2.312 30 10 IEEE C=CC1(CC(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1465393108 ZRZNDDBXHIBJDI-GOSISDBHSA-N 449.573 2.411 30 10 IEEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1466840670 FGKQFMOINYIDAX-XVYPEUIUSA-N 437.566 2.029 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)CC1 1471142861 DCPWSTSPQVNIRT-LEWJYISDSA-N 439.560 2.362 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C2CC2)nn1C 1472040116 DIJIZVXJNALQBU-KRWDZBQOSA-N 429.546 2.211 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCC)c2cccc(C(F)(F)F)c2)CC1 1477748845 WRSLDIPYCORWAT-KRWDZBQOSA-N 446.495 2.341 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC12CN(C(=O)OC(C)(C)C)C2 1478823391 XCPGPZIHFOAYFT-INIZCTEOSA-N 446.479 2.249 30 10 IEEE CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1499419634 HYZDZOQJWHSHQC-ILYIUGIZSA-N 435.532 2.415 30 10 IEEE CO[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C1 1504489985 MIPAAWBIVCFMNH-HNNXBMFYSA-N 426.502 2.398 30 10 IEEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1505136511 BHZNZFZBUUKQOF-MJGOQNOKSA-N 446.552 2.427 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@]2(C)COCCO2)c1 1507550274 IOGKGKLLTPKNRN-HSZRJFAPSA-N 425.533 2.338 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507592179 REXXDDSXAIAIJL-BBWFWOEESA-N 430.553 2.382 30 10 IEEE C#CCCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507599959 VRHOKMJOLALCRK-SAHWJRBASA-N 442.564 2.321 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507711902 LOIAWLWWNOUCIM-KRWDZBQOSA-N 436.482 2.234 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccccc1C1OCCO1 1507712453 YSBBFMKSOGVYFT-UHFFFAOYSA-N 433.512 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC)C2)CC1 1507735268 QDGBEKGQFAKICY-HXUWFJFHSA-N 445.571 2.124 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507745357 XTMKHYPOYYNGDX-KRWDZBQOSA-N 434.587 2.334 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1507811748 DVOWWVFPKMQZJR-HNNXBMFYSA-N 444.565 2.124 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1508091081 RHVMGHJKCZPXES-INIZCTEOSA-N 442.568 2.237 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)n(C)c2=O)C1 1508110576 UEEUWKHFLIKISM-IBGZPJMESA-N 442.564 2.033 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)C1 1508124650 LYEMCVZPYHTZKV-PKOBYXMFSA-N 432.546 2.041 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)n1 1511165463 DLQXJRJHZURXNU-OAQYLSRUSA-N 429.484 2.404 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CCO1 1512495896 COHZXZAYKKUKEI-GOSISDBHSA-N 438.532 2.356 30 10 IEEE CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1516284246 HPZSJXAVZHQTLZ-JOCHJYFZSA-N 442.495 2.412 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1518763321 BMSCIIJRMNOGSN-OALUTQOASA-N 444.511 2.018 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1518764444 GTNIWIDMIWGUPQ-RBUKOAKNSA-N 428.512 2.388 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2ccc(Cl)nc2C1 1519521966 KTFFFNJHVQXHCM-UHFFFAOYSA-N 442.932 2.472 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NC2CCCCC2)CCO1 1521128320 BATFTWFUOCRHHX-MRXNPFEDSA-N 429.912 2.171 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cc(OC)c1OC 1521185911 RPRSSYYHVPWYPS-LBPRGKRZSA-N 441.362 2.479 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2=O)cc1Cl 1537471461 SVGWTPPITAWMOC-RYLNMFRWSA-N 435.933 2.037 30 10 IEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539225124 LZTVJPRDUQXUEH-FUHWJXTLSA-N 441.557 2.012 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCOCC1 1539272315 ZFUVTJWLJRPERW-UHFFFAOYSA-N 440.551 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539324092 PMYLRSBKYOJZFM-VQTJNVASSA-N 448.575 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-c2nc[nH]n2)cc1 1539337568 KZKLMGHCTHILER-SFTDATJTSA-N 445.527 2.298 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCS(=O)(=O)C1 1539391852 IXLVCNWUYYEDKP-PKOBYXMFSA-N 432.521 2.343 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1539431025 OJXADUDYJWJFHJ-NFBKMPQASA-N 436.604 2.162 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1539475449 GNVAQLCHMCIOKH-CTNGQTDRSA-N 438.576 2.311 30 10 IEEE C=C1CCN(c2nnc(-c3cnccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539842919 RSBRLLXESYNHCI-UHFFFAOYSA-N 427.509 2.185 30 10 IEEE CCCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1540708608 HJRWAIRHKKINGZ-CXIVCQEWSA-N 439.578 2.199 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1540859351 VKCUKOALUGJFEV-IBGZPJMESA-N 430.578 2.281 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1540874003 RKWCVPPPVUWFOF-CQSZACIVSA-N 432.475 2.178 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1540876311 NIJUVMKXTRJHQJ-MRXNPFEDSA-N 432.912 2.160 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1540913914 XJLLPFSJYXKIMT-OAHLLOKOSA-N 442.545 2.365 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1541048777 BRFNYGLYEIGPLY-UHFFFAOYSA-N 448.531 2.039 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1541803033 BMJNEWXUVILKMT-STXHMFSFSA-N 449.602 2.468 30 10 IEEE CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)N(C)C 1545804903 DPINTTCSGGGQIV-FQEVSTJZSA-N 427.601 2.193 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1552749309 FUSQLYBNMAOOJT-NQIIRXRSSA-N 446.552 2.131 30 10 IEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)C(C)(C)C 1554630094 BRFONGHYOGXIIX-MAUKXSAKSA-N 448.593 2.457 30 10 IEEE C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1557243795 XZAIYYSNPDPOGJ-PWIZWCRZSA-N 430.549 2.459 30 10 IEEE CCN(CC)CCN(C(=O)c1cccc(C#N)c1Br)[C@H]1CCS(=O)(=O)C1 1566481226 VIPGMHQXYLTNQZ-HNNXBMFYSA-N 442.379 2.292 30 10 IEEE COc1cc(CNC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 1568704498 NYPKKKBUMKIDTK-SSEXGKCCSA-N 435.546 2.331 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 1583079895 OLHMHSPVWMRBOL-QGZVFWFLSA-N 445.520 2.470 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)CN1CCOCC1 1587599485 OCMXEOBNRFJYDZ-MSOLQXFVSA-N 427.549 2.389 30 10 IEEE C#CCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)cc1 1587713174 FVXNFCKVHREYCQ-UHFFFAOYSA-N 436.580 2.428 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)cc1 1588111297 QWBMMSLSZHQHTG-GUDVDZBRSA-N 445.338 2.429 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCN(CC)CC1 1588421019 YRZWKNQDEJBXAG-NRFANRHFSA-N 448.619 2.250 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(-n3ccnc3)c(F)c2)n1 1588723188 JZALATQCHBSPEH-UHFFFAOYSA-N 448.506 2.442 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1589089888 ZCLPQBQPTHXCHC-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1593782097 GMYFJYXJRVKBCA-ICSRJNTNSA-N 440.548 2.272 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593852002 JHBKBOCZCWPOJO-NRFANRHFSA-N 439.907 2.384 30 10 IEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594626567 NAMWHFCTEKQOGP-GHTZIAJQSA-N 441.532 2.488 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cc(C)on1 1595496968 MHSHWIONHJWIRQ-UHFFFAOYSA-N 426.477 2.197 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1595506475 BCORZKXWBRWXKJ-QRWLVFNGSA-N 441.532 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](COC)C1 1595506617 HGDAUUWNIAAKAV-HOCLYGCPSA-N 449.939 2.149 30 10 IEEE Cn1nc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1Br 1595533762 UHTFVGRQMNDZJM-UHFFFAOYSA-N 446.284 2.324 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)C1 1595722782 NCSDZHMZPSZIQB-HZPDHXFCSA-N 438.500 2.288 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1611319059 BGLHHKUNCGTWJD-CYBMUJFWSA-N 432.326 2.345 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3ncccc3C)nnc12 1611349069 AUXAVQUCIAILOO-UHFFFAOYSA-N 434.525 2.385 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CCO2)cc1 1611499967 KDSNSGIWBQKXJG-ROUUACIJSA-N 431.539 2.373 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCOC1 1617779605 BPCDQUWHUUJWRS-BJLXPSRBSA-N 429.546 2.255 30 10 IEEE COC(=O)[C@]1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC(C)(C)C1 1618115175 MHEPGIFACYKNSW-SBUREZEXSA-N 440.500 2.391 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)CCS2(=O)=O 1618589889 QAXGJAHSQDGBAN-NLGTXKQRSA-N 443.443 2.072 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@H](CNC(N)=O)C1 1625715712 PPAXPHSWRPDPCO-VQIMIIECSA-N 441.532 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC(=O)NCc1ccco1 1625990756 GPMJRLFMCMPLAG-HXUWFJFHSA-N 438.484 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccc(C#N)cn3)C2)CC1 1626645478 FDJGQUREMGVARH-KRWDZBQOSA-N 442.520 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1632273035 QLKNOMCNFULLER-JOCQHMNTSA-N 425.482 2.156 30 10 IEEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1634052038 BDWLUXLRFYEPNN-INIZCTEOSA-N 440.504 2.237 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C 1640924431 LUSMMZCYAACGSD-UHFFFAOYSA-N 446.525 2.484 30 10 IEEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)s1 1643089025 CFBJKFOHVXJRRB-UHFFFAOYSA-N 425.557 2.004 30 10 IEEE C=CC[S@](=O)(=NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)c1ccccc1 1648461701 OYJRKTZQOGWOCJ-HNDADQJNSA-N 436.555 2.262 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(N2CCN(C)CC2)cc1 1649015024 ZXLGHIHHLWLORF-OAQYLSRUSA-N 428.577 2.404 30 10 IEEE N#Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)CC1 1661846857 GPUVXMYCWHZMSQ-UHFFFAOYSA-N 442.516 2.444 30 10 IEEE N#CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 1673936298 SZKPEHCRQLVTGJ-UHFFFAOYSA-N 434.468 2.247 30 10 IEEE CCCCCCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1674621044 RSSJMJILRFBUGR-UHFFFAOYSA-N 446.614 2.233 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1675410402 SMJSXRGNKDEJLR-UHFFFAOYSA-N 426.473 2.112 30 10 IEEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1676393215 QVEKYSWKRUADOQ-HNNXBMFYSA-N 427.530 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1681080604 BEIDMHGGRGFNPF-ROUUACIJSA-N 445.520 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1689830503 ASGKMSHFXQDHOW-GAJHUEQPSA-N 425.533 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCOC1 1690043896 RTYHNBDMCNOBTP-GOSISDBHSA-N 430.512 2.082 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1690131996 COWSMWGSQSPPGZ-IBGZPJMESA-N 431.487 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)cc2)CC1 1690142300 KXIRECHPCOFAHS-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1690470426 BDJJKVLUVUJKDF-RCCFBDPRSA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1690655481 WXGSSDRFTLYCPZ-UHFFFAOYSA-N 444.486 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCCO1 1690718019 YLWYXTCRYMVBEL-SFHVURJKSA-N 449.533 2.459 30 10 IEEE C[C@H]1CCCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1693681812 BFYAYNPOCQUCNR-ICSRJNTNSA-N 448.637 2.432 30 10 IEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1695093841 ACJARDOLFPTNIR-IBGZPJMESA-N 446.577 2.104 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H]2CCC(=O)N2)cc1 1698489428 QBMIWKSZDFLLHH-JKSUJKDBSA-N 430.459 2.489 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1705477865 SVRHAQVQZWXVPS-SJLPKXTDSA-N 433.578 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1705602048 HAJXLTVSEZWIIC-HSZRJFAPSA-N 439.585 2.109 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1705611018 MUVCNZCREFYBEL-KRWDZBQOSA-N 449.559 2.204 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705701187 DKVCXZNRGRUKLY-PXNSSMCTSA-N 427.553 2.255 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@H]1C 1705714138 GGSFCMNYGUMMCA-KKSFZXQISA-N 448.593 2.181 30 10 IEEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705725729 OPSXDQLDVRYGQS-BRWVUGGUSA-N 449.552 2.108 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705900468 DZIAWIJORHJZCV-UHFFFAOYSA-N 435.532 2.373 30 10 IEEE CCN1CCN(c2ccc(Cn3c([C@H]4CCCO4)nnc3N(C)[C@H](C)CC#N)cn2)CC1 1710272442 JENLLAXCGBHECU-UYAOXDASSA-N 438.580 2.453 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)C1 1710349812 BXEMUPBQGOCYNZ-SFHVURJKSA-N 444.561 2.047 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712141085 IZHOWCVUBDITSP-IEBWSBKVSA-N 425.537 2.048 30 10 IEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1722319347 MCFIMVOVWQGJOE-KRWDZBQOSA-N 430.553 2.132 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722358884 GNJSCWBQXVHEKV-IEBWSBKVSA-N 445.589 2.205 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](OC)C1CC1 1722376410 NRTRNFZJEWMKGJ-SFHVURJKSA-N 440.573 2.044 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1OC)N1CCCC1 1722381921 WDGHULGTNZOBNS-LEWJYISDSA-N 446.555 2.148 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1722400808 ZXFSRHOYKCCDQT-CPJSRVTESA-N 447.587 2.466 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722486746 CNEWIOAAKRCHCO-HNNXBMFYSA-N 446.309 2.442 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCSC1 1722654766 VELFGOUQPMKCMC-QFIPXVFZSA-N 440.573 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722698119 UGYSHSRORXCMJY-QGZVFWFLSA-N 434.500 2.227 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722725283 IDPQXDGVUHWSRX-GOSISDBHSA-N 444.605 2.252 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1722866630 CAKUDCZMUHDZKU-DOTOQJQBSA-N 431.562 2.052 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)OC(C)(C)C)n1 1724505403 WYSCAYGUSDOLCX-INIZCTEOSA-N 427.509 2.292 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N(C)C 1724584620 XHCNFYFLYZJRAJ-UHFFFAOYSA-N 444.543 2.325 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1729163870 ZZSDWJHQQAAMGY-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE COCCOc1ccccc1Cn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730885543 BBWLLGQCPNLBCC-UHFFFAOYSA-N 433.516 2.253 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCSCCCO)c1 1731179344 RCIYWHOTVQAGKR-IBGZPJMESA-N 440.573 2.133 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCOCC(F)F)CC2)nc1 1731181513 CAVBJXLLGPJQDS-QGZVFWFLSA-N 447.490 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1740550073 HPCVJHLSQVUCDC-BJLQDIEVSA-N 445.589 2.263 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740576291 ZZBWMWITSDMDRO-MSOLQXFVSA-N 429.546 2.036 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O 1740643245 DGCCAMWRSYUPQU-LJQANCHMSA-N 430.505 2.036 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 1740701026 RPMTZRSTNDDFAO-UYAOXDASSA-N 444.624 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740750613 DHFDIDWHUZIVSP-FPOVZHCZSA-N 432.613 2.373 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740793626 UXDWUABEVPPOKD-LSDHHAIUSA-N 431.459 2.370 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1740961127 MRJOVPCABUPAKG-INIZCTEOSA-N 434.338 2.483 30 10 IEEE C[C@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1742952284 DHXCWKVCPDPLLG-FUHWJXTLSA-N 438.532 2.103 30 10 IEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1743882961 OZIDCVYTQMMLHR-PWIZWCRZSA-N 438.532 2.435 30 10 IEEE CCC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1745279711 ZIXJEPOOSSYLNY-SFHVURJKSA-N 433.520 2.143 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1749006467 OLGWNCZRGHFPMZ-UHFFFAOYSA-N 444.495 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H]2CCCCO2)CC1 1749016707 LMTCXMVWHDXSBX-NRFANRHFSA-N 436.560 2.189 30 10 IEEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749390313 CIKWNPRUWABHMJ-WOJBJXKFSA-N 436.560 2.323 30 10 IEEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1749516893 HWYUOUHUVDWORE-QGZVFWFLSA-N 431.562 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1749666114 HPKJLBMWHSXTMK-KRWDZBQOSA-N 449.559 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CN(C)C(C)C)CC1 1749730589 JVKWBDKCCJJEKI-UHFFFAOYSA-N 434.610 2.431 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1750081305 IOFQIPVHKLHARD-PGRDOPGGSA-N 443.573 2.174 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(=O)(=O)CC 1760148250 TVIZIVZZUMESCF-UHFFFAOYSA-N 428.356 2.320 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1760224949 DFCPXVRWQSMAFE-CYBMUJFWSA-N 425.942 2.058 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1760284203 IOXCGHJKRBVIAQ-UHFFFAOYSA-N 428.606 2.177 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1760290903 UALMRHRJNIYATN-GOSISDBHSA-N 427.310 2.272 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)C)CC1 1760314811 ZIFMVVRNAMJMJE-ICSRJNTNSA-N 430.597 2.462 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760445915 ZIRKIEUCFDUZRC-ICSRJNTNSA-N 445.568 2.372 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1760449398 INGLOXHMIMFVTR-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N(C)C 1760500386 ZCZOCXHBUQCQRR-UHFFFAOYSA-N 440.504 2.312 30 10 IEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760563453 RTODGTAYENRVAK-QGZVFWFLSA-N 444.536 2.476 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1760566433 UADQGXRHNUTIJN-QAPCUYQASA-N 429.546 2.412 30 10 IEEE CCN(C)C(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 1766382938 FZVQCTKHMQTOLQ-SFHVURJKSA-N 440.548 2.496 30 10 IEEE CN(C)CCOCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1768522099 YFFGUBNAWVCQNK-UHFFFAOYSA-N 425.581 2.352 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1C(F)(F)F 1770645241 GLRGTYGQRANARR-CZUORRHYSA-N 436.438 2.452 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1772564308 RTWACGAHNUZQBW-ZJPYXAASSA-N 433.553 2.429 30 10 IEEE CC(C)(C)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1851225343 PGEPQPDRCVBMCE-HXUWFJFHSA-N 433.574 2.073 30 10 IEEE Cc1nn(C)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)c1C#N 1851347186 GHPQFWZZNJIFBM-PMACEKPBSA-N 432.528 2.470 30 10 IEEE C=CCN(C(=O)c1csc(N2CCN(c3ccccc3)CC2)n1)[C@H]1CCN(C)C1=O 1852271216 UWWQOOJMSONOCX-IBGZPJMESA-N 425.558 2.329 30 10 IEEE Cc1nn(-c2ccccc2)nc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852328151 ATUTYGDJXRSDOA-QFIPXVFZSA-N 447.495 2.384 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3[nH]2)CC1=O 1852376088 ZJUQUISAFUCPCZ-INIZCTEOSA-N 438.919 2.380 30 10 IEEE COc1ccc(N2C[C@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1Cl 1852450688 HYEGXBRRUCCTRT-ZBFHGGJFSA-N 442.859 2.332 30 10 IEEE Cc1cc(CN2CCN(C(=O)CCON=C(N)c3ccc(C(C)(C)C)cc3)CC2)n[nH]1 1853420335 DUHLUERXYUUOOQ-UHFFFAOYSA-N 426.565 2.387 30 10 IEEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@H]2C)cc1 1857078155 YHQKJFUFMIAEAZ-QGZVFWFLSA-N 425.510 2.378 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4ccccc4C#N)C3)ccc21 1858416350 MVGHLHSHIVHPOY-SFHVURJKSA-N 438.509 2.117 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(=O)O)cc1 1862739608 CCQQVWPJIQVVNN-APPDUMDISA-N 426.381 2.252 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862740139 PAJUQXHLACVDBQ-PIGZYNQJSA-N 427.369 2.462 30 10 IEEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCC(N)=O)c1OC 1874383299 JFXFGFYYWZSLPJ-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCCCCO)ncnc21 1875228863 IIZSZOWAIIFTQT-UHFFFAOYSA-N 444.536 2.106 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)CC1 1889297499 WBXBNHKYFSMHAS-UHFFFAOYSA-N 438.494 2.363 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CO1 1908271636 BCQWGBLOBOEUAW-MISYRCLQSA-N 428.533 2.247 30 10 IEEE CN(C[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1)C(=O)OC(C)(C)C 2224093029 LASOGCIGHWTIFR-KRWDZBQOSA-N 433.358 2.453 30 10 IEEE Cc1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247907712 HDZIZFBUBBPKML-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247920146 WPLUZBBEWMDIBD-UONOGXRCSA-N 437.733 2.430 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248439548 ANKAPFCWGZLOSZ-OAHLLOKOSA-N 440.371 2.203 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587361 OOUXRYHCWRPMMS-QGZVFWFLSA-N 431.319 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254751363 KLUTZNKELBHCMP-HIFRSBDPSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CO1 2255525195 AAQGDMDGYLUEEO-CYBMUJFWSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255695675 IZJOWTORZBCCCJ-HUUCEWRRSA-N 431.342 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255699168 NQFHQYOEKWONKY-COXVUDFISA-N 429.326 2.118 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255807382 SRSSXBQBAAHHSJ-LBPRGKRZSA-N 430.232 2.110 30 10 IEEE CCC[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256067274 NBAOSYHJGUJEJB-AWEZNQCLSA-N 434.346 2.199 30 10 IEEE C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256614918 QGOGSDNRMYRUTD-YOEHRIQHSA-N 434.342 2.049 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127864 UUYNIWBOWJAKBA-IBGZPJMESA-N 438.381 2.313 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267137082 KHTSMPUGMDZHMW-GOEBONIOSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139449 GPXQRKUPIRUOSR-APWZRJJASA-N 438.381 2.278 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)CC2 2267143440 HZXUWEBVGNHFSN-GJZGRUSLSA-N 446.357 2.323 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267183240 FGVGKQYLKCTAQF-HUUCEWRRSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267518644 FXTWUYKPZCOICM-CQSZACIVSA-N 446.357 2.228 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267524946 XIXJBLXOBFSGHV-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1Cc1ccccc1 2267532926 LVJKUGZOCHHUFT-GOSISDBHSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268636620 FSJDTHBDVWYLGL-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2268637234 KZUUXTZBTSMAQI-UHFFFAOYSA-N 445.369 2.442 30 10 IEEE C[C@@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268641243 AXKXFODWHFEYFB-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2303309004 XSOUNJQNQLEPLM-UFYCRDLUSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](O)C1 2322299111 BISYSEDLAPELIN-HZPDHXFCSA-N 437.321 2.302 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2F)CC1=O 2327841437 IMMIZVVDTUDJOM-LBPRGKRZSA-N 436.488 2.130 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2c[nH]c3ccccc23)CC1=O 2327842469 FILGWVFAKYLAPL-CYBMUJFWSA-N 439.545 2.333 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(C(=O)O)cc1 2328261478 XWYHXYOEWXKWBE-UHFFFAOYSA-N 441.469 2.024 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C1CCN(c2cnccn2)CC1 434743066 CZBLGADABLNTAE-UHFFFAOYSA-N 439.564 2.342 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2COCCO2)n1C[C@@H]1CCCCO1 461871510 PPQXIZSNRCWDNW-SFTDATJTSA-N 441.532 2.460 30 10 IEEE N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c(C(F)(F)F)c1 462570130 GFZGRQQIZZTMGG-OAHLLOKOSA-N 445.463 2.369 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@]1(C#N)CCc2ccccc2C1 472258643 OQHAATDQVVYMDK-QHCPKHFHSA-N 439.537 2.197 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCCCC#N)C1=O 474393964 IZRBAIHPYWMCJV-MSOLQXFVSA-N 435.546 2.284 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 494306515 CWAXYICPZMZLSG-WIYYLYMNSA-N 429.542 2.357 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc(OC)c1OC 505546190 COSGAAHMRAUPFQ-HZPDHXFCSA-N 433.530 2.485 30 10 IEEE CCCCn1c(CCC(=O)N[C@H](C#N)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 505932930 DJENFEFAELZPSZ-GOSISDBHSA-N 431.562 2.438 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 508881311 PJXCDKMOBGIVOS-INIZCTEOSA-N 435.532 2.263 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C#N 512721800 ZJVCSWKQRWIVOM-OAHLLOKOSA-N 431.521 2.105 30 10 IEEE COc1ccc([C@@H]2CCCN2C(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1OC 546209853 KFMUAZNHABUNEK-FQEVSTJZSA-N 435.528 2.456 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3occc3CS(=O)(=O)c3ccccc3)CC2)n1 546876863 YRAAFZHVWGSRQR-UHFFFAOYSA-N 436.493 2.483 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1Cc1cccs1 555443701 GZLUZVXGVQJDDT-UHFFFAOYSA-N 436.545 2.119 30 10 IEEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2)c2ccccc2c1=O 558926079 KKMURQUXGWKRQP-SFHVURJKSA-N 441.495 2.452 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)cc(Br)c2OCC)C1=O 624835439 DUWUSUPNIBJFBX-UHFFFAOYSA-N 444.669 2.417 30 10 IEEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730708441 FTNRNVYQUWZUIM-GOEBONIOSA-N 440.529 2.270 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(C[C@@H]3CCOC3)c2=O)cn1 749870827 VVUXLJCYRIRKEY-INIZCTEOSA-N 442.585 2.061 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@@H]2CCOC2)C1=O 751655453 XZPJDUWXGJSWLK-CJNGLKHVSA-N 442.944 2.267 30 10 IEEE CN(C)C(=O)Sc1ccc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 752531642 KGTCKJRWDYOTOW-UHFFFAOYSA-N 433.511 2.242 30 10 IEEE C[C@@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1cccc(C#N)c1 752612301 ACHTYIJVLMKUTL-HUUCEWRRSA-N 429.498 2.482 30 10 IEEE C#CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 757058733 SJAUUDQAYLMOFI-FQEVSTJZSA-N 442.497 2.375 30 10 IEEE Cc1ccn(-c2ccccc2CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 768310107 LHMKIKBJKWPKFT-INIZCTEOSA-N 437.525 2.314 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc3c(O)ncnc3cn2)n1 779374432 BQLISOFHQHZTHC-UHFFFAOYSA-N 426.487 2.096 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 800778221 BITZVIATOADKKT-HXUWFJFHSA-N 440.548 2.192 30 10 IEEE COC(=O)c1cc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c(Br)o1 810081844 AONYNFXLZVUGAP-UHFFFAOYSA-N 429.248 2.187 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)c1 814319724 OKEUUWKYQCFWCA-QIRSZLOZSA-N 442.545 2.169 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)C1 915100750 YYKNLLAMBVNNQY-HZPDHXFCSA-N 441.513 2.455 30 10 IEEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=Cc1cnn(-c2ccccc2)n1 916540429 WVOSQGRGEWIRNI-UHFFFAOYSA-N 441.473 2.406 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916711487 NYBXGRAQDIVBEH-LYBHJNIJSA-N 449.577 2.268 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCc3ccccc3Cl)n2N)cn1 1083955310 CTCZIYOJAZCEGH-UHFFFAOYSA-N 447.956 2.277 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1 1084050615 BDUJSRAOCXDOGJ-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1134422128 BZCGLRJJCLYRTH-SZVBFZGTSA-N 432.496 2.274 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1140896194 OMPMTSJOQCCWJW-QFIPXVFZSA-N 433.379 2.335 30 10 IEEE C[C@H](O)[C@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)OCc1ccccc1 1141336701 SCSDKMBRQVURBR-DJJJIMSYSA-N 447.285 2.309 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1286382689 BHRAJLFFTCAGJG-QINHECLXSA-N 436.603 2.388 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286388285 MYVNWOGORIZCTH-RLFYNMQTSA-N 430.530 2.170 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1286441292 LGPUJYUFSLUURP-UHFFFAOYSA-N 430.560 2.407 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1286500944 HXQSGSRKKBPOHF-MRXNPFEDSA-N 438.561 2.291 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCC)CC1 1286511705 NQOYXFWKKBYYDP-UHFFFAOYSA-N 443.621 2.249 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286605237 SXCLTXXTMJKLLA-WMZOPIPTSA-N 426.477 2.161 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286666553 JXBYHNKSTVZEGJ-HNNXBMFYSA-N 432.550 2.151 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1286756429 MCFKLVDLOPKNBG-UHFFFAOYSA-N 435.532 2.143 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C(C)(C)C)C1 1286810060 NIUQVGUHGBOFKZ-BRWVUGGUSA-N 426.583 2.023 30 10 IEEE C=CCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1288855916 MROGKANEIHDKKQ-HDICACEKSA-N 430.553 2.152 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1NC(=O)c1cccs1 1289204515 KSABRPFASCLYFM-YWZLYKJASA-N 429.523 2.319 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCOC1 1296534818 ABAZBHYOHUDVIG-PKTZIBPZSA-N 441.532 2.244 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCOCCCO 1298864416 KWDOKZXBNQOTAA-OAQYLSRUSA-N 436.516 2.132 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1300488849 HCVVLBQIGRHXKT-IBGZPJMESA-N 428.558 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2ccnc21 1300555152 VABVQINDPBRUDK-GOSISDBHSA-N 428.500 2.162 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1SCCc2ccccc21 1300664355 BUQFVEPOXKJYMI-MOPGFXCFSA-N 425.558 2.346 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1300973450 XDZJUIUSCVQYPI-INIZCTEOSA-N 438.525 2.385 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1301420997 MZYBERICXHADEI-JOCHJYFZSA-N 444.605 2.187 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC(C)(C)C1 1301500418 MHBJDLBPPZFONV-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301605916 CXOHYPGUQBGQCV-SFHVURJKSA-N 426.546 2.297 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1303335314 SJIFMDHQZOVKPB-UHFFFAOYSA-N 439.520 2.315 30 10 IEEE C#CCC1(O)CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 1308035218 UQQKERURFFZSCE-IBGZPJMESA-N 431.920 2.361 30 10 IEEE CCOC(=O)c1nnn(C2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)c1C(F)F 1312810209 KVPRBFSTSCQHRC-UHFFFAOYSA-N 433.419 2.206 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1342213628 WIJBZIHFLUEFFP-WBVHZDCISA-N 443.363 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC(C)C 1358876924 SZUXASDSVJASTQ-KRWDZBQOSA-N 433.578 2.468 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2c(C)noc2C)c1 1358900839 SWKRJEWJXCSADC-UHFFFAOYSA-N 449.515 2.126 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1358904100 URHFAGLYLGFMCD-QGZVFWFLSA-N 429.525 2.269 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1358919783 KFSBCMWEMFLIIX-QGZVFWFLSA-N 429.496 2.266 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358960517 GMGTZFYBKDVCJV-SFHVURJKSA-N 432.594 2.019 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358963914 QADCVYBOPIHDSP-AWEZNQCLSA-N 440.520 2.133 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccnc(OCC(F)(F)F)c1 1358976210 VHPFYSHRZIQSCB-UHFFFAOYSA-N 427.390 2.192 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCCC1(C)C 1359019422 UZDPUAOCQHQSLD-XZOQPEGZSA-N 434.581 2.346 30 10 IEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359225342 VMSCASBOMDKPJA-AEFFLSMTSA-N 427.505 2.481 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccnc1C 1359233424 DOSZNUXEIHLVOD-UHFFFAOYSA-N 441.561 2.159 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359294234 OLCPVAXOXJKYEX-UZLBHIALSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1359297488 SINIKGYFTNUXID-INIZCTEOSA-N 428.493 2.421 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)N(C)C)C1 1359319981 JXQNVCQSZNWAFB-ICSRJNTNSA-N 440.596 2.184 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCCO[C@@H](C)C1 1359333239 ROWHVQFGRGUTSH-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1COCCO1 1359849131 HRAZONPXTRIDEY-GOSISDBHSA-N 428.512 2.229 30 10 IEEE COC(=O)[C@@H]1Cc2ccccc2N(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1439662530 SDXWSIQQZJFDDH-MJGOQNOKSA-N 446.463 2.142 30 10 IEEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1440686485 SJAOMMDJOZMSCS-FFZOFVMBSA-N 448.539 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H](O)C1CCOCC1 1445711279 RHWBIBSQPVCNRR-PMACEKPBSA-N 429.517 2.296 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O 1457012111 DQIRUXKFWVRQFP-NLWGTHIKSA-N 427.526 2.058 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 1464851531 YDJFVYRQURPRFX-UHFFFAOYSA-N 430.705 2.139 30 10 IEEE C#CCN1CCCN(C(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CC1 1465278667 UEBUMEKJVYORNA-UHFFFAOYSA-N 437.993 2.489 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(-c2nc[nH]n2)ccc1F 1467591659 GEDBMDHMIICXPO-UHFFFAOYSA-N 428.449 2.068 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1470955795 FYXJOXYFMCKWCK-CQSZACIVSA-N 448.372 2.438 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(c2cnn(C)c2)C3)s1 1471504819 FIXZNISXWXGTHE-IRXDYDNUSA-N 434.587 2.426 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)CC1 1472603395 GNIFPANROWTWRY-UHFFFAOYSA-N 428.510 2.405 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)[C@@H]2C1 1479233629 UQDFZTOGLKFICB-SFTDATJTSA-N 439.560 2.498 30 10 IEEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(SC(F)(F)F)c1 1479367944 XRPPSWJGNWFZEL-JTQLQIEISA-N 427.408 2.493 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)cs1 1492675362 VUEUEBMVZUIAMD-FOIQADDNSA-N 433.557 2.044 30 10 IEEE Cc1noc(CCCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1493123639 RPFPVVKKPWJCHX-WOJBJXKFSA-N 433.488 2.085 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1501154569 PPWIADLHUNNGCS-UHFFFAOYSA-N 435.488 2.298 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1501194135 BVQBNEREZDWKTH-GOSISDBHSA-N 439.520 2.058 30 10 IEEE COc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C 1504405845 ULZRPUNKUBDNSE-INIZCTEOSA-N 447.543 2.363 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1507516087 ARMDSKLPAKBIKR-VGOFRKELSA-N 433.553 2.255 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1507561357 VPOLYWXDZKLUQX-QGZVFWFLSA-N 448.527 2.478 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507594811 JMCFNRWLIKPZJO-UHFFFAOYSA-N 442.539 2.056 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507599604 RPIQWWZGVWSJFX-UTKZUKDTSA-N 430.509 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N(C)C(C)=O)CC1 1507808301 UQOSMKHQSOKICK-LMNJBCLMSA-N 449.596 2.430 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1507894744 KKVUHYICEPREKK-QFIPXVFZSA-N 445.951 2.415 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CC1 1507902955 QOFOZCOJBGZUGS-QGZVFWFLSA-N 435.594 2.032 30 10 IEEE C=CCN(c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1)C1CC1 1507996695 ZTKQPZGHSKGTQV-UHFFFAOYSA-N 429.496 2.433 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508837441 BBIWPQCUJMBUGE-GHTZIAJQSA-N 431.562 2.237 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1516096824 HFQVDRLNLUWUHV-QGZVFWFLSA-N 426.521 2.246 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1516678914 HTMVGOWFPYPKLI-YGCDDZCOSA-N 439.520 2.053 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1518834560 TZGZLJKMZQIIPM-MRXNPFEDSA-N 435.488 2.091 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ncc4c(c3C#N)COCC4)C2)cc1 1525912475 AKERGRBJOMCJKE-KRWDZBQOSA-N 440.525 2.374 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 1531731378 CKEZEDRZZUXIPD-OAHLLOKOSA-N 430.530 2.265 30 10 IEEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)C1 1538582269 AKQZNEKYHBNUQM-MRXNPFEDSA-N 436.505 2.091 30 10 IEEE C#CCCCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1539141302 UHGMBUGQFONLGU-LPHOPBHVSA-N 429.487 2.416 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1N1CCOCC1 1540043740 FPYKBXOQTXPLGM-UHFFFAOYSA-N 427.553 2.099 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1540891526 VZUHZENJLUIQPC-NJYVYQBISA-N 433.597 2.310 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1540903193 AJLQKFDOKRQORL-YJBOKZPZSA-N 431.518 2.130 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCN(c2ccncc2)CC1 1541111179 GRPKCSJNWCUZTJ-LJQANCHMSA-N 433.564 2.476 30 10 IEEE CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1542441961 CFHHLBLWIVWKRF-UHFFFAOYSA-N 436.436 2.468 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1546398001 AOBFVECPWWODFK-LPHOPBHVSA-N 443.552 2.095 30 10 IEEE CCc1nnc(N2CCOC3(CCCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546555017 KHBJQXDGEJNNRG-FMQUCBEESA-N 428.537 2.297 30 10 IEEE CCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1548265348 OSJMHVGTPBKDFS-AWEZNQCLSA-N 436.310 2.481 30 10 IEEE Cc1cnn(CC(=O)N2CC[C@@]3(CO)CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C2)c1 1548366775 YDEBCJXUCYBWFK-UTKZUKDTSA-N 447.461 2.429 30 10 IEEE CC(C)(C)OC(=O)CC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 1556132739 SOKKFNYAYFAPBJ-HZPDHXFCSA-N 437.537 2.390 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1OC 1556619974 XVRSCQPKVYXZPW-FXAWDEMLSA-N 438.546 2.403 30 10 IEEE Cn1c(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc(=O)n1-c1ccccc1 1558461481 WNPJGWNHEBTVCF-UHFFFAOYSA-N 438.528 2.443 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 1564397221 ADUKDRPSJUPNCA-QGZVFWFLSA-N 446.495 2.197 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc21 1567508906 ZSQPXYNBEXDYBC-HXUWFJFHSA-N 446.511 2.101 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)N2CCc3ccccc3C2)s1 1584143592 BDZLCVXWBVWXMU-MRXNPFEDSA-N 433.599 2.318 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CC1(C#N)CCOCC1 1586900908 NIEWYGZSOKBKNR-UKRRQHHQSA-N 447.454 2.077 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@H](CO)O1 1588550477 SKVOOQVWMJOTDC-HLAWJBBLSA-N 428.508 2.491 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1c(CC)nn(C)c1OC 1589234637 WHWJZZBXGOUUSG-HSZRJFAPSA-N 436.564 2.485 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(Cn2cccn2)CC1 1595523639 ZRGJDALIDSFSJU-UHFFFAOYSA-N 435.532 2.369 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1598088597 BDSUHYWUPAZILL-UHFFFAOYSA-N 439.564 2.330 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1611501129 GTFNEVBAEZEKSD-SFHVURJKSA-N 425.510 2.064 30 10 IEEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2Oc2ccccc2)c1 1616130041 OULLCENZENUZRB-YRXWBPOGSA-N 449.496 2.031 30 10 IEEE CCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617109652 MXPWQQHKPAWSMZ-LJQANCHMSA-N 425.537 2.192 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)C1[C@@H]2CCC[C@@H]12 1617780777 RYHDCAYTRKZWEG-HZPDHXFCSA-N 430.459 2.345 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1 1618347005 FGQWVDYMQWCOTJ-HXUWFJFHSA-N 445.570 2.267 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1620083216 UJRAMDUXMPUQRX-GNBUJSLZSA-N 442.568 2.143 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC2)C1 1620172332 AKICYJLGFPDBFC-SFHVURJKSA-N 428.562 2.382 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)CNc1ccc(C#N)cn1 1624198498 FEAANRBQBLOMEU-AWEZNQCLSA-N 433.306 2.104 30 10 IEEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccccc1 1627415076 ZUYWFOULTULTOJ-AKHDSKFASA-N 432.542 2.147 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)Cc1ccc(Br)cc1C#N 1627895795 NVVKGYUQXMYPOQ-OAHLLOKOSA-N 426.311 2.207 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1628042452 HLGHAIYRNPJGND-LBPRGKRZSA-N 428.352 2.039 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1F 1632328344 BNAKONFEBCEFOE-UHFFFAOYSA-N 447.463 2.162 30 10 IEEE C=CC1(CC(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CN(C(=O)OC(C)(C)C)C1 1633459854 ZFSUEAFXQPAJPZ-HNNXBMFYSA-N 433.509 2.041 30 10 IEEE COC(=O)[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1cccnc1 1635934355 URIBNPHWSXKRGH-QGZVFWFLSA-N 429.274 2.182 30 10 IEEE CCOC(=O)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ccc(C#N)cc1OC 1637967094 XVGJNLLKQGSPFY-KRWDZBQOSA-N 431.489 2.485 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1638479304 ODCZKYURCUBMRE-UHFFFAOYSA-N 446.555 2.292 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)on1 1642278699 QHSYDOMZSYVCSF-CQSZACIVSA-N 440.481 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC(C)(C)c2cccc(C#N)c2)C1 1645324861 FIOWUFAJEGLZOW-QGZVFWFLSA-N 435.546 2.334 30 10 IEEE N#Cc1cc(Cl)cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 1652788400 KBJQIIUAWOOJJS-UHFFFAOYSA-N 446.916 2.049 30 10 IEEE COC(=O)[C@](C)(Cn1cccn1)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1660535867 CSMJWSZUSWDTHZ-DEOSSOPVSA-N 448.527 2.381 30 10 IEEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 1663579117 JQVXGDLUBRSKLN-UHFFFAOYSA-N 429.468 2.380 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1666498127 HYROMLMJZQWXJT-NVXWUHKLSA-N 437.562 2.384 30 10 IEEE C#CC1(O)CCN(C(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1669701229 LNEZYCMRUYIELT-HXUWFJFHSA-N 430.501 2.488 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)CCO2)cc1 1679859816 BFPNCVJSYBLRSB-NRFANRHFSA-N 440.525 2.381 30 10 IEEE CCCN(C)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)cc1 1681039784 ASPXMMISKGETGK-ILZDJORESA-N 438.981 2.303 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1686085036 YZXDWHHFNRCTOX-FQEVSTJZSA-N 448.479 2.444 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1)C1CCOCC1 1687124094 QXVRSWMNRISVMO-RXVVDRJESA-N 433.574 2.123 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3c(F)cccc3F)CC1)C2 1687386241 CGHHXHDEYCPUED-QGZVFWFLSA-N 446.479 2.020 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1689847297 WUHKLQORYRSRNJ-UXHICEINSA-N 432.576 2.347 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCn1cnc2ccccc21 1690106028 HUIXRDPNXMXFCW-UHFFFAOYSA-N 432.532 2.276 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1690364217 LUOPCUAPGWGPSE-QGZVFWFLSA-N 449.577 2.115 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(Cl)nc1 1692782056 PLOGOFMJRAUFSY-ZDUSSCGKSA-N 437.957 2.115 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705502672 IDIZAAFGFCCYGE-WOJBJXKFSA-N 439.560 2.427 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705571271 XJGXKRGYMABTDA-FQEVSTJZSA-N 429.590 2.218 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cccc(Cl)c2n1C 1705596387 CFXOGNTWKIKBFX-KRWDZBQOSA-N 435.919 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCCN1CCOC1=O 1705602249 NMOARWYACHGDOG-UHFFFAOYSA-N 425.464 2.301 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)C[C@H]1C 1705665711 BFRUGUUJGGIYMH-QGZVFWFLSA-N 427.574 2.453 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1705876007 MSTKAWRUDSFPMX-IBGZPJMESA-N 449.552 2.171 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1705902814 JXYZAQQUJAYXGT-IFXJQAMLSA-N 445.486 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1705938800 JPLLMSBFOLVONM-UHFFFAOYSA-N 441.598 2.234 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705947626 RZFZYHDFNKFIMT-QGZVFWFLSA-N 427.534 2.452 30 10 IEEE CC(C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706293951 BLKODZWBEVQBTB-DPPKGPFUSA-N 428.537 2.181 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCNC(=O)OC(C)(C)C 1707909645 ZGTVWVRTUSFDIK-UHFFFAOYSA-N 440.552 2.485 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC1(O)CCOCC1 1710756665 ROHDQFNPYSFUHI-UXHICEINSA-N 425.533 2.490 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCS(=O)(=O)C1 1722292458 NOJSGZDJEAHLLQ-HOTGVXAUSA-N 425.514 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1722294663 RPKFTJNZWIIWMW-QZTJIDSGSA-N 433.560 2.382 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2cc(C)nn2C)c1 1722305104 MFZCVESGXRVHFJ-UHFFFAOYSA-N 442.527 2.430 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1722380978 DNDLLTJKRLKUCT-INIZCTEOSA-N 442.310 2.305 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC[S@](=O)C(C)(C)C 1722426290 FZZDJCUXZIFOQO-KKIUXKEOSA-N 446.573 2.424 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1722503255 WIPDRMKKVJDTQI-JKSUJKDBSA-N 430.553 2.077 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1722629923 PWCOHAJDFJOSQK-OALUTQOASA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CCOCC1 1722692662 UIXQPWHJAQRIEN-UHFFFAOYSA-N 440.548 2.312 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C[C@H](C)CC 1722698137 VEZDGYFVEICJBW-MRXNPFEDSA-N 437.548 2.367 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722708362 QWEGTJSVZUDIBC-UHFFFAOYSA-N 447.543 2.274 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2COc3ccccc3O2)C1 1722708712 BYJNBCYTADUNIA-SJORKVTESA-N 427.505 2.038 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1725817836 GHCVCLCZRJXZSK-JOCHJYFZSA-N 433.520 2.454 30 10 IEEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C 1727278497 CLPOQWVHRUXWAE-CVEARBPZSA-N 433.557 2.442 30 10 IEEE Cn1cc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CC(=O)NCC(F)F)cn1 1729568165 DZHVDFAJXPZVLC-UHFFFAOYSA-N 440.458 2.101 30 10 IEEE COc1ccc(-c2nnc(N3C[C@H](OC)[C@H](OC)C3)n2Cc2ccc(C#N)o2)cc1OC 1730099262 CWIDJZZXTAIWSN-BGYRXZFFSA-N 439.472 2.325 30 10 IEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1731008183 FOZMCBOCRAPLNK-HXUWFJFHSA-N 447.586 2.107 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1740573946 HYBVDRRJYMKWCB-SFHVURJKSA-N 430.578 2.101 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740589018 MPSOWLCWEDOEES-KRWDZBQOSA-N 447.543 2.145 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1740592028 YQMRICGMQMJFQK-AEFFLSMTSA-N 431.562 2.430 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1740624617 ISBRQBGTRCMNOU-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1c2ccccc2C[C@H]1C 1740644796 URFLGFIBNBPDHN-HXUWFJFHSA-N 430.556 2.428 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1740699876 WZKSNYZMZFDHPW-AZUAARDMSA-N 427.524 2.303 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740723453 PNXKWTQZIZZTCO-OXJNMPFZSA-N 438.498 2.390 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740730636 DVNRLBYCEZLMAS-FUHIMQAGSA-N 441.498 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)CC1 1740759442 IUKKOLRIAOHEOL-BTYIYWSLSA-N 431.487 2.455 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740862029 IEXOFKIVMCNRKF-DLBZAZTESA-N 448.568 2.315 30 10 IEEE C=CCCCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1740881324 DFUXUAYRQLCHGR-VGOFRKELSA-N 445.568 2.471 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1740941460 LMBZCYIXJSYTKZ-INIZCTEOSA-N 438.525 2.015 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740962687 LNSROVFGYOEQIQ-NRFANRHFSA-N 448.575 2.415 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCOCC2)C1 1740979623 BAMJDNBSYXTABS-LJQANCHMSA-N 443.523 2.038 30 10 IEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1741470963 QIUOGBNBTBZDJX-OAQYLSRUSA-N 435.576 2.339 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC(C)(C)C2)CCOC1 1741723121 JUUWWLNOCNFAIF-QHCPKHFHSA-N 446.596 2.169 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748743943 QFXYPXIMNHOEQW-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748812578 XBOVDBGYFHVJGB-KZNAEPCWSA-N 431.562 2.105 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H]1C 1748921263 ZYFXMYBIORTQHV-QGZVFWFLSA-N 429.594 2.182 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)N(C)C)CC1 1749347167 LUAINMVMTYKVHV-UHFFFAOYSA-N 433.578 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749657688 AVHGECZPYNSGBB-KRWDZBQOSA-N 436.516 2.298 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCOCC2(CC2)C1 1749680730 PCWVSSYCMBQBIF-UHFFFAOYSA-N 425.533 2.393 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1751036906 GQFJQPWMZWPWBY-FQEVSTJZSA-N 440.548 2.219 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccco1 1760112352 FPBFVKGBBITZAL-UZUQRXQVSA-N 435.532 2.411 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccn1C(F)F 1760165116 JWLWOEWJFYJSDD-UHFFFAOYSA-N 448.503 2.256 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760182793 MDWUSPCZBMJJOA-SFHVURJKSA-N 435.638 2.324 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cc(OC)ccc1OC(F)F 1760200806 CNFQPAXRQYXFJM-UHFFFAOYSA-N 426.427 2.410 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)C2CCC2)CC1 1760255493 CCHAWQGWHKFKHS-UHFFFAOYSA-N 441.967 2.055 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1760464169 BEKZOJPXNMWICO-UXHICEINSA-N 445.589 2.427 30 10 IEEE CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1762379275 ASQXZFGHQXHGKY-FQEVSTJZSA-N 432.532 2.282 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)cc1 1762603997 DXJGLDOLOPHZRI-LJQANCHMSA-N 431.562 2.451 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCC[C@@H](C)C2)CCOC1 1762922076 WCQGGBSBWLXDMZ-QIJUGHKUSA-N 434.560 2.493 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2)CC1 1765497099 GZAYVRZSFPPDDR-IBGZPJMESA-N 447.591 2.213 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1766629294 PARILJGJQFPUGM-SIKLNZKXSA-N 443.573 2.317 30 10 IEEE CN(C)CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1766931593 HKLFJQZCYRMHMC-IBGZPJMESA-N 435.532 2.001 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCc1nccs1 1767864364 RDJOSIDNJDEQFH-UHFFFAOYSA-N 425.518 2.439 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1770051917 QFXSNDWUAJBCJZ-AQNXPRMDSA-N 434.585 2.099 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C1 1770730893 GLDOHVQYMOKDOY-GOSISDBHSA-N 442.829 2.334 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CCC1 1771224371 JMYDYKPHPDGTOW-XLIONFOSSA-N 441.532 2.367 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CCO1 1771536968 FUZFIZAFZVJWJW-UKRRQHHQSA-N 438.385 2.164 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1772566893 YRTJOKADRAMUHY-UHFFFAOYSA-N 428.581 2.467 30 10 IEEE CS(=O)(=O)c1ccc(Cn2cnc3c(c2=O)CN(Cc2cccc(C#N)c2)CC3)cc1 1851264145 ILRJDLUFLKIXMU-UHFFFAOYSA-N 434.521 2.125 30 10 IEEE CN=C(C[N+](=O)[O-])N(C)C(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1 1851852122 AVFFRHGODFCUBN-UHFFFAOYSA-N 426.477 2.132 30 10 IEEE N#Cc1ccc(C(=O)N(CCCN2CCCC2=O)S(=O)(=O)c2ccc(Cl)cc2)cn1 1852737187 RBEBFUVQSFEZQT-UHFFFAOYSA-N 446.916 2.450 30 10 IEEE Cc1c(CN(C(=O)c2cccc(C#N)c2)[C@H]2CCCN(c3nccn(C)c3=O)C2)cnn1C 1853472861 YBKMJNHFGPZOQG-NRFANRHFSA-N 445.527 2.005 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@H]1C 1854725418 BUINYDDFZIGAAU-CRAIPNDOSA-N 439.965 2.129 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCCc4ccccc43)C2)CC1 1857054094 ZYCMCFOFUUXPJF-UYAOXDASSA-N 429.542 2.047 30 10 IEEE N#Cc1cccc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4CCCS4)C3)CC2)n1 1857116566 JXADQDKBIIBVRK-MJGOQNOKSA-N 428.558 2.315 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1 1858965403 NBKHXIJSDZMPQX-UHFFFAOYSA-N 441.259 2.020 30 10 IEEE N#Cc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)c1 1859529547 UWOPWJBQLRIPPG-UHFFFAOYSA-N 428.495 2.441 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 1862626133 VPKPUKRAXUAYMV-LJQANCHMSA-N 426.400 2.269 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)ccc1O 1862754038 BTWIBZVCMNTNEP-SFHVURJKSA-N 428.397 2.270 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862755621 FLQDICZCFRHPRF-KPZWWZAWSA-N 440.408 2.341 30 10 IEEE CC(C)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782474 JDFVIOWEPJPILU-AZUAARDMSA-N 432.590 2.149 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CSCCO 1870247206 AYDFQDLXHDKYAE-UHFFFAOYSA-N 446.525 2.454 30 10 IEEE CC(C)N(CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(C)C 1889850917 IMJYUFVNOXZYMP-IBGZPJMESA-N 437.581 2.465 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C1 1891374403 KXACXAHISRMGNB-LSDHHAIUSA-N 429.864 2.248 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 1891896060 WQQLKIJOLCPLFF-HXUWFJFHSA-N 440.525 2.034 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1963795275 MEVGHTHEFFIRFN-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE C=CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)C(=O)OC(C)(C)C 1985006542 FEJCMJVUVHRQDW-HZPDHXFCSA-N 427.542 2.144 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CCC#CBr 1990653634 RNDZRNDSYQMTOX-AWEZNQCLSA-N 446.319 2.305 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2039815614 GPFPLDBWAIHRJV-HXUWFJFHSA-N 425.382 2.485 30 10 IEEE CN(C(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523065 AXAZGRPMIYXWQJ-ROUUACIJSA-N 446.353 2.488 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539554 XBUQEKWXMDOAEX-SFHVURJKSA-N 447.385 2.057 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224077950 BOCQAYFRSXKOCY-HPBDAGMYSA-N 431.342 2.473 30 10 IEEE CN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)Cc1ccccc1 2243412376 LPZROPBBYUNEDK-UHFFFAOYSA-N 436.408 2.458 30 10 IEEE C=C(CS(=O)(=O)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2247901237 HNBJTMUKOPBYNG-UHFFFAOYSA-N 442.387 2.493 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2247906333 YUAZHHKRJWYCKD-IYBDPMFKSA-N 442.387 2.303 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)CC2CC2)n1 2247950454 FIPVLPHGLRXKDG-UHFFFAOYSA-N 431.367 2.320 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2250301505 OTVCWOQFPKFWHD-GXTWGEPZSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)N3C[C@H]4C(B5OC(C)(C)C(C)(C)O5)[C@@H]4C3)(C1)C2 2254809188 MWTFDRDYTYKCHG-CFYSCFQDSA-N 434.342 2.363 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630354 JBMAALQJYONLKQ-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255656417 ZZGMSGQCPGZJFB-QDMKHBRRSA-N 432.326 2.422 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2255657269 MNUGVNPGVMINFY-HUUCEWRRSA-N 432.326 2.390 30 10 IEEE CCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255829665 STYIEYMMUNQCNL-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255835665 XNWZSHKPCPLIDC-CYBMUJFWSA-N 434.346 2.036 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1COc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021107 HFCFREKJSRLQIT-RDTXWAMCSA-N 434.342 2.487 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2256235456 UYWPCBRYKOYIHE-PXIJXODZSA-N 430.314 2.018 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)=C[C@@H]1O 2256678274 MLZIPNYFSVKCAX-SJORKVTESA-N 434.342 2.361 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266993567 JHMCMHCUJOCBJL-YXJHDRRASA-N 443.353 2.366 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2267146219 JGKRMYKJAXLSDF-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 2267154734 KSFGHMJONOYKDS-CABCVRRESA-N 448.373 2.330 30 10 IEEE C[C@@H](NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267278286 APMKTLGFGSCMFD-OAHLLOKOSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CCO1 2267802893 CEMDUEFTYQZAQG-OAHLLOKOSA-N 448.325 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cnc(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)c2)C1 2271460162 DWMUVMWOYMRFEK-UHFFFAOYSA-N 444.341 2.430 30 10 IEEE CC1(C)OB(c2cc(NS(=O)(=O)C3CC4(C3)OCCO4)ccc2Cl)OC1(C)C 2277956606 SOMBXOGWSGVUAP-UHFFFAOYSA-N 429.731 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)[C@H](N)C#Cc2cccc(Br)c2)C1 2278729365 CBUKRIDCYPLBDC-ZACQAIPSSA-N 425.323 2.125 30 10 IEEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)cc1OC 2329898796 SJPZCPQXYXCZPG-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(Cc2ccccc2)C1 2337200880 OENCISAEJKRRHS-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE COc1nc(N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339785555 YAOLVTQTICOUDC-QWHCGFSZSA-N 443.275 2.425 30 10 IEEE CCOC(=O)/C(=C/c1ccccc1OCC)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 35252432 YOQIOHILZRYLPG-GHRIWEEISA-N 443.477 2.446 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 102556806 PKDICXNFWSMQGB-HQMFNGAOSA-N 442.424 2.034 30 10 IEEE N/C(CCCNC(=O)c1cc(Br)ccc1I)=N/O 236321372 MRZSNTPNXKCIAQ-UHFFFAOYSA-N 426.052 2.310 30 10 IEEE Cc1nc(C#N)cc(-n2cnc(I)c2I)n1 308269428 FMJDYCLDRMKPGQ-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1C(F)(F)F 435161971 HEEUZJQWNBSBNC-HNNXBMFYSA-N 445.463 2.369 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 442207234 LAJKBYKYVPJVHH-UXOAXIEHSA-N 441.362 2.414 30 10 IEEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 465390131 SMSQPWRXAQTXHI-UXHICEINSA-N 432.542 2.443 30 10 IEEE Cc1ccc2c(c1)CC[C@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)O2 474218268 YSLAXAQOOMKENE-HXUWFJFHSA-N 425.510 2.093 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 475582723 CHMCXZIXPUKLDT-LJQANCHMSA-N 426.542 2.331 30 10 IEEE COC(=O)C[C@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(F)c1 476099846 BRCRNDIQHCRQTI-NRFANRHFSA-N 447.488 2.226 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)c1 479203189 GLFILUUAGGKGST-LJQANCHMSA-N 433.461 2.141 30 10 IEEE COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481237687 YVLYWHPTAILYQW-APWZRJJASA-N 427.526 2.467 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Cn2ccnc2)cc1 486017723 KTSJBPREPRUYKJ-HNNXBMFYSA-N 430.511 2.418 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1Cl 502035857 XDVZZBNANQMZPK-ROUUACIJSA-N 444.944 2.089 30 10 IEEE COc1ccc(CCC(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 513785388 LLQZUWQIMSRCNL-UHFFFAOYSA-N 441.553 2.118 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccccc1C#N 516887970 NPGIIWPDCXHBNC-UHFFFAOYSA-N 428.514 2.145 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543890313 GMSJUCUJBRIZMP-GOSISDBHSA-N 443.939 2.462 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCCC1 544750448 QDUKRRLDONZRTO-UHFFFAOYSA-N 431.967 2.060 30 10 IEEE Cc1cc(N2CC[C@@H](NS(=O)(=O)CC3(C#N)CCC3)C2=O)ccc1Br 575164821 NQTQLJYGKRKZGJ-OAHLLOKOSA-N 426.336 2.476 30 10 IEEE C=CCN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1nc(C(=O)OCC)cs1 609502059 RCAHPAIBQHYCEA-UHFFFAOYSA-N 425.470 2.437 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)ccc1F 727333520 VVNCFHQZSTVIEU-UHFFFAOYSA-N 449.504 2.226 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(Cl)cccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 732978044 DSTGAJXHJWDEBW-GFCCVEGCSA-N 437.855 2.370 30 10 IEEE C=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 734026269 JOJXTPKZZPKLPP-OAHLLOKOSA-N 446.319 2.265 30 10 IEEE CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734290945 BVDNYTKVMQTVRS-QGZVFWFLSA-N 431.539 2.223 30 10 IEEE C=CCn1c(=C(C#N)C(=O)N[C@H](C)c2ccccc2)sc(=Cc2cnn(CCC)c2)c1=O 735069596 XMRDHTLKXGKQOA-QGZVFWFLSA-N 447.564 2.083 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)s1 736581458 FUUVVBJQNOLFNG-OAHLLOKOSA-N 431.583 2.280 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 744782215 YPGIDGQOUKQTTJ-YZVOILCLSA-N 441.575 2.277 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=C(C[C@H]3CCOC3)c3ccccc3)nc2)CC1 753918578 LAHDXWSLQLDHLX-GOSISDBHSA-N 443.573 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@@H](C#N)C1 754388298 HDUMHLRXLQUPRM-DYVFJYSZSA-N 434.443 2.289 30 10 IEEE N#CCCN(CCC#N)C(=O)COC(=O)c1c(F)cccc1I 761523345 MYHUUNMDGQIMPC-UHFFFAOYSA-N 429.189 2.243 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761981084 FVJVZOUMUDGEQY-FVGNFYTDSA-N 432.908 2.043 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 769716582 MJPCYTNTQAWZLQ-KUDNYVPYSA-N 431.242 2.042 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 769720669 VHNNHJGHJSDWSE-SNVBAGLBSA-N 436.262 2.488 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 774207815 AYKDFSNRFNSEHD-QZTJIDSGSA-N 441.956 2.275 30 10 IEEE C=CCOCCNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 780255857 OADFENQNEYNUNX-SFHVURJKSA-N 444.557 2.432 30 10 IEEE C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1CCCn1ccnn1)c1cccs1 784126073 NJUYTZJLLIRQET-XDZPDYPGSA-N 432.575 2.460 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 788818963 CWIIWBLNKWTAFO-LJQANCHMSA-N 426.492 2.183 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)OCC(=O)Nc3sccc3C#N)CC(=O)N2C(C)(C)C)cn1 796420944 TXGYRFJSKQULLS-PBHICJAKSA-N 429.502 2.223 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCOc2c(Br)cccc21 800707828 WAMQSAKSTYGXAC-PERWBAPNSA-N 435.278 2.098 30 10 IEEE C#CC[C@]1(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)CCCN1C(=O)OC(C)(C)C 809800934 ZBVAWZJUULXRAB-DXWWHBTFSA-N 426.557 2.405 30 10 IEEE N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)Cc1ccc(OC(F)(F)F)cc1 816126754 RJYXTHVWVBUXKO-UHFFFAOYSA-N 429.332 2.413 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccccc1 1084209109 AIMUWJAPGLDTEV-UHFFFAOYSA-N 439.501 2.330 30 10 IEEE CCOC(=O)c1c(NC(=O)Cn2cc(C)c(C(F)(F)F)n2)c(C#N)cn1CCOC 1125001877 IRQWTZQTZLLTJO-UHFFFAOYSA-N 427.383 2.345 30 10 IEEE N#Cc1cc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)ccc1Br 1129355852 JBMWATPHURTICU-UHFFFAOYSA-N 429.186 2.464 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2=O)cc1Cl 1131524016 RLYPGEHBDCIFBY-DNVCBOLYSA-N 443.912 2.350 30 10 IEEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1132033975 ADBNKEYASASWRQ-OAHLLOKOSA-N 446.456 2.292 30 10 IEEE COC(=O)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCCC1 1133608984 POWHSWYYORMJBQ-ZWKOTPCHSA-N 426.473 2.001 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1136659538 IJCQOTBVSUUWOB-IBGZPJMESA-N 436.597 2.393 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)C2=O)cc1 1138181482 VDEZDTWZDYXOPB-IKGGRYGDSA-N 425.407 2.154 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)no3)CC2)cc1 1141411614 DZYYIWHHSZNQPI-UHFFFAOYSA-N 440.456 2.499 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CC(F)(F)OC(F)(F)C1 1178276683 CCIIPRGHZVPVOG-KATARQTJSA-N 432.292 2.016 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1180001256 ZAYSUUPWOVSEAX-DOOKAGJSSA-N 427.501 2.070 30 10 IEEE CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 1211110910 HNEWPLPROMMFJC-COXVUDFISA-N 428.352 2.193 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccccc2O[C@H]2CCOC2)c1 1264809824 WXYKVLQOQNOZRF-QHCPKHFHSA-N 448.519 2.270 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1286294066 BCONWXOYUWIFQN-PXNSSMCTSA-N 425.533 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC(=O)NCC(F)(F)F 1286304714 IRQZBWJAKOYBFJ-AWEZNQCLSA-N 439.438 2.392 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1286426371 SZOUPLMQUVBCJU-AVRWGWEMSA-N 444.539 2.206 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1C 1286440661 HPWCBSWMDBGDKX-UHFFFAOYSA-N 430.310 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cc(C)no2)CC1 1286488210 WRBWGULTQZFHIA-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(F)ccc2OC)CC1 1286489812 FKTZHKCXOFWBJC-UHFFFAOYSA-N 436.491 2.435 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1286797301 VEEGLESFVJKJCR-NRFANRHFSA-N 425.533 2.185 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1286802626 VHHLYFKWLCYTNX-IBGZPJMESA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C)C1 1286822483 LFUUYHWRJBHSLW-MRXNPFEDSA-N 446.602 2.059 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286833079 USLRLPLSCJDCCF-LPHOPBHVSA-N 426.608 2.454 30 10 IEEE CCOc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1296854539 PLFOOYPPKFGDED-AUSIDOKSSA-N 441.532 2.494 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 1300411529 ZWUWKVKHAOSAMS-WCQYABFASA-N 445.335 2.180 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300499668 VYNMJFPECOXMDD-ROUUACIJSA-N 446.573 2.191 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)CN1CCOCC1 1300529752 QKGWDRBXZMEAED-NRFANRHFSA-N 443.555 2.172 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)CC(C)C)c1 1300532454 VYCUQJFYOITEJP-HXUWFJFHSA-N 432.528 2.335 30 10 IEEE COC1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1300731414 MOWLPQWKKSESAN-UHFFFAOYSA-N 438.532 2.212 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300845131 UUDBDPKXCYCVDB-IAGOWNOFSA-N 440.386 2.239 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC(C)C)C1 1300891660 MACZLFDJHDMYAW-DXIQSLLYSA-N 447.580 2.012 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1300972927 RVHSSSCAYSYFLJ-UHFFFAOYSA-N 444.555 2.470 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301033432 ILFDGZNUZJVUNI-QRWLVFNGSA-N 443.983 2.390 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OC)C1 1301531066 CGLZEBYGFQAFFZ-ROUUACIJSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)C1 1301538711 KGKTYEVKQXCDEW-QWHCGFSZSA-N 439.504 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1301578444 AUPQJJXGVRFILV-OAQYLSRUSA-N 442.520 2.480 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1303502379 NBFDKNCPZCQLBO-WMZHIEFXSA-N 446.596 2.310 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)CCCS1 1303818535 CNFZVQJIYDHILB-KDOFPFPSSA-N 426.612 2.304 30 10 IEEE COC(=O)c1ccc(N2CCN([C@H](C(=O)OC)c3cccc(Cl)c3)CC2)c(C#N)n1 1306994487 CDVAKAKWIOKGRC-IBGZPJMESA-N 428.876 2.430 30 10 IEEE C#CCN1CCC(NS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 1309869815 FDBJQVHSRYPNGQ-CTNGQTDRSA-N 433.574 2.099 30 10 IEEE CCOCc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1314320934 YVKKGBYMESBYLP-QRGKIZMRSA-N 428.537 2.356 30 10 IEEE COCCN1C[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1=O 1316121377 GHDRIEMXBUSBPQ-QZTJIDSGSA-N 449.559 2.441 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccccn4)n3CCCCCCO)CC2)c1 1316533364 NEOMVXIWQAVCLD-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE COc1ccccc1N=C1SCCN1C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1354198783 VHDFJOCTPYEXOP-MOPGFXCFSA-N 426.498 2.252 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)OCC 1358877229 ZJFZMTWQSMAMIW-MRXNPFEDSA-N 433.578 2.468 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1358929887 KKJUUHKQSJTPRC-ZWKOTPCHSA-N 444.557 2.260 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1358948830 MMTGDUHTODSNOR-IBGZPJMESA-N 427.574 2.288 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358955225 HXZQSSDMHOTSIM-CYBMUJFWSA-N 438.541 2.498 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1358976658 MLFDOXZVYTXGRK-CJAUYULYSA-N 444.539 2.299 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359049123 ILEXYTBXOZWWFR-HBFSDRIKSA-N 432.638 2.147 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1359260857 PXDRPQOTVJQXLJ-ZUZNIGHFSA-N 443.523 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 1359327295 YAJHBNRVVPDNPM-UHFFFAOYSA-N 444.561 2.470 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1455267266 TZYGMVZREVCBBP-UHFFFAOYSA-N 447.557 2.071 30 10 IEEE CCOc1cc(C(=O)OC)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455894364 COBDDZODMNJQII-ZDUSSCGKSA-N 431.470 2.049 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4nc(C#N)ccc43)c2)C[C@@H](C)O1 1461272919 CVMCIILUNZNJIT-IYBDPMFKSA-N 440.525 2.344 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)n1 1463631023 FVYSAMGJVHHNGK-UHFFFAOYSA-N 436.843 2.421 30 10 IEEE C#CCCN1CCC(NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1465397025 XUKGQTCDXZVCMZ-SFHVURJKSA-N 430.553 2.068 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 1469359012 JKUQOJREXAVISR-GOSISDBHSA-N 429.521 2.390 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)cc1 1470293391 LKMGKVPQIJPKEH-IBGZPJMESA-N 449.573 2.316 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1471013570 BMCWAWDIFPQVHW-KRWDZBQOSA-N 433.509 2.047 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3CCC(c4ccc(S(N)(=O)=O)cc4)CC3)n2)c1 1472144854 DKCBGWTYMGESDR-UHFFFAOYSA-N 435.509 2.411 30 10 IEEE CN(CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C[C@@H](O)c1cccc(C#N)c1 1473619826 OTGQTSGMEOWVPC-JOCHJYFZSA-N 426.561 2.165 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1504425466 BMFLUTWYHVCVQK-ZACQAIPSSA-N 447.561 2.395 30 10 IEEE COC[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C#N 1504558792 CTCTUXAQDLXKLN-GJZGRUSLSA-N 433.582 2.425 30 10 IEEE COC[C@@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504593417 KIMNDORXUZHOOC-WMZOPIPTSA-N 444.511 2.123 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCN(CC)CC1 1507524402 BFJWRHMRHPCXIW-RBUKOAKNSA-N 438.576 2.200 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1507619059 USTCJNKRJXQUNU-UHFFFAOYSA-N 440.305 2.457 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507633736 GQKPRAGWMVWTAD-MISYRCLQSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1507667596 PHJKPGDSFMPUHU-MSOLQXFVSA-N 440.548 2.092 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](F)COC)CC1 1507723051 SAFNBUHNDSVXQZ-OAHLLOKOSA-N 436.329 2.447 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1507731219 DDHFJWMMAHSTHW-UXHICEINSA-N 446.596 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)c2ccccc2)CC1 1507737815 GBFGEQMYRVQZSR-NQIIRXRSSA-N 448.571 2.389 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1507778369 DDURHMKQKHATSR-QGZVFWFLSA-N 436.354 2.057 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1507795379 DMLNMZFAPQTBHF-FHWLQOOXSA-N 438.594 2.024 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507871940 CBGZXJNZBQIMPN-UHFFFAOYSA-N 443.932 2.220 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CCCCC2)CC1 1507879026 CLMFHYPLXBHFOR-JXFKEZNVSA-N 425.599 2.376 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1508040063 SIYHNBIWRYNCKP-INIZCTEOSA-N 439.607 2.135 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1508061918 GMWBRNOMVBREFE-UHFFFAOYSA-N 440.523 2.007 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1 1508106995 WORQMCXJZYAUFM-ZACQAIPSSA-N 449.577 2.115 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508167430 JSGVHENWGNJQDK-UHFFFAOYSA-N 446.621 2.301 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1513520222 DSUXPMWLSNIVDF-RTBURBONSA-N 438.532 2.230 30 10 IEEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1F 1518281862 ICPQTKKBRBHPCC-INIZCTEOSA-N 433.509 2.116 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1nncn1C 1519261881 UIMDVTDUALZFMQ-KRWDZBQOSA-N 448.531 2.344 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(Br)cnc2F)c1 1526859899 JTUYDKRYWMVWRC-UHFFFAOYSA-N 446.276 2.470 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OCC 1531936273 CDQMLIUWXJMSCZ-RHSMWYFYSA-N 434.876 2.266 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1539093627 BEKIINQYXGBJMM-NVXWUHKLSA-N 435.550 2.383 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)NC)CC1 1539132856 RSZSGYAAEQXXJE-UHFFFAOYSA-N 428.562 2.036 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1539140021 QIHYYIUWWDMAOA-HXUWFJFHSA-N 439.560 2.438 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539998434 IMLGRVADTNCPFS-HMXCVIKNSA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OC(C)C)CC1 1540867431 WEGWURAMKZZYNH-UHFFFAOYSA-N 441.532 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnn(C)c1 1540869094 BJQSSZUXKKUHAL-UHFFFAOYSA-N 432.488 2.272 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540873373 WKESCDPCCNYJRY-MRXNPFEDSA-N 446.577 2.336 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1540890513 GCGSDBJXQYWIIR-WOJBJXKFSA-N 446.573 2.156 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1CCCCO1 1548170969 FEADZMCXDZXAOH-LJQANCHMSA-N 425.537 2.367 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1CCCCO1 1548174620 GEWUFUHDUJEDAL-LJQANCHMSA-N 425.537 2.367 30 10 IEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1c(C)noc1C 1548369580 VCVHSRYUKDNZPC-MRXNPFEDSA-N 435.406 2.259 30 10 IEEE CCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(N)=O 1548377049 AQYLVTRNUZEBBB-QGZVFWFLSA-N 438.450 2.144 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1554568469 RGPBMUNENRSZNR-FUHWJXTLSA-N 426.477 2.127 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC)c1ccc(Br)cc1 1561601538 PNMBHCGDOOPZSP-AWEZNQCLSA-N 443.344 2.010 30 10 IEEE C#CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCCCC1 1585161942 XWKVQDQXEULPRN-QGZVFWFLSA-N 430.526 2.466 30 10 IEEE COc1cccc([C@H](CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)OC)c1 1585443889 ANGJUHYQHWCPRU-KSSFIOAISA-N 431.514 2.016 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)c(C#N)n2)C1=O 1585750561 OUMYIKISQUGFKA-SFHVURJKSA-N 428.246 2.121 30 10 IEEE Cc1c[nH]cc(Br)c1=NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1585917504 GXOWPHVAVOCVRV-OAHLLOKOSA-N 442.273 2.290 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1)c1cc[nH]n1 1586106854 BEJIKVYNBOWXMS-FQEVSTJZSA-N 435.484 2.497 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOCC1 1587556469 PGQFKYYEZZDBMN-QGZVFWFLSA-N 444.967 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1587603202 HOMKXVPOLWGDFO-ZWKOTPCHSA-N 432.528 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1587673461 OIUMMPYPAQLRIQ-IRXDYDNUSA-N 445.951 2.463 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC2(S(C)(=O)=O)CC2)c1 1587683806 OHDVCRNAOIRAND-MRXNPFEDSA-N 443.573 2.425 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588035306 RFMMEJBIIDPWCD-PGRDOPGGSA-N 444.557 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1588174151 QUYLNVJSRKIEKH-YADARESESA-N 448.527 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)(F)F 1588189079 CQTQZHIFCWNFOO-UHFFFAOYSA-N 449.433 2.104 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1588238168 LBQPGZGZPPHRTE-UHFFFAOYSA-N 433.434 2.019 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)C(C)C)CC1 1588763456 XYALPIZFOASUJX-FQEVSTJZSA-N 449.397 2.208 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCSC2(C)C)CC1 1588865144 QALFJEGLZDPIIA-IBGZPJMESA-N 427.622 2.427 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C)CCC2)CC1 1588891680 SBCKNGFXFUJLTC-DEOSSOPVSA-N 443.592 2.475 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1589207399 LJCUXWUOJQGYMU-QMHKHESXSA-N 439.516 2.295 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1589484619 UOJAPDPFUGWPJU-GBPOLFSSSA-N 447.580 2.172 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1589651594 BSGYMCLVCHHYAX-KRWDZBQOSA-N 430.553 2.377 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)Nc3ccc(C4CC4)c(C#N)c3)cnc21 1598171651 ITALJCGAGDLXQV-UHFFFAOYSA-N 427.262 2.280 30 10 IEEE CC1(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1611517864 RAISHQJLRUCVPR-KRWDZBQOSA-N 439.965 2.090 30 10 IEEE NC(=O)[C@H]1CC(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)=NN1c1ccc(F)cc1 1611602382 VLMKSIBLDBZQEM-SNVBAGLBSA-N 432.271 2.195 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F 1621679190 PLSUIMPGVMFVGF-LLVKDONJSA-N 439.914 2.020 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)Nc2ccc(F)cc2OCC#N)C1=O 1622869654 VAWFRAHFTNESAV-OAHLLOKOSA-N 434.468 2.430 30 10 IEEE C[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1623603338 XQODXWPQJFZQKD-GHTZIAJQSA-N 444.576 2.456 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1627894129 PRZVRHWRNARYHO-YJBOKZPZSA-N 437.562 2.421 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nccn1C 1628352275 YTAWTEMWVIOGLH-UZLBHIALSA-N 437.525 2.059 30 10 IEEE C#CCN(CC#CC)C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1628848529 RPGAPCIAJZVJDE-HSZRJFAPSA-N 443.503 2.254 30 10 IEEE C=CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1629260307 RSZPVWBDUYKJMQ-UHFFFAOYSA-N 430.526 2.327 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1630442611 YDKLDHOHRBUHOJ-JQFCIGGWSA-N 445.379 2.459 30 10 IEEE O=C(c1cccc(C#CCO)c1)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1632698053 HJQVQYUZWLXPSS-UHFFFAOYSA-N 449.532 2.115 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1635186732 DRBWOULVZSFUHH-INIZCTEOSA-N 435.521 2.144 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cnn3c(-c4cccnc4)ccnc23)C1 1638203003 IFJLXPKEEPGXOU-DOTOQJQBSA-N 433.472 2.280 30 10 IEEE Cc1nc(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)nn1-c1n[nH]c(C(F)(F)F)n1 1639852049 PSVZBVISEDRRGU-UHFFFAOYSA-N 427.284 2.219 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1641500280 ZSDINDXJYKRTRI-LJQANCHMSA-N 449.960 2.440 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C1 1643888248 JHEQUBICZGBXDU-YKSBVNFPSA-N 449.486 2.202 30 10 IEEE C=CC[C@@H]1CCN1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1648553802 NVXNNRHIURZFAL-JQFNYASXSA-N 445.566 2.383 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1649538763 GWQJZMLZXKYUSW-KUHUBIRLSA-N 438.454 2.440 30 10 IEEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@H]2c2ccc(I)cc2)CCC1 1654986770 QTKYTRJGVLDDJW-HZPDHXFCSA-N 439.297 2.209 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OCC 1663611471 ULGVVSHCJOPPMO-LBPRGKRZSA-N 439.317 2.061 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1665969784 QKZAAMHFHQAJPT-DLBZAZTESA-N 442.541 2.306 30 10 IEEE COc1ccc(N2C[C@H](NC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)cc1 1682606216 DQDLQJRGVVJJCR-ZWKOTPCHSA-N 434.500 2.353 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCSC1 1690025087 DOPWIHLYOQZIML-QFIPXVFZSA-N 448.640 2.469 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCCCO2 1690029405 ACDFPAVLFHKQOX-UHFFFAOYSA-N 433.512 2.187 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(OCCOC)CC1 1690244367 WVUTWGVJWDKKOO-PXNSSMCTSA-N 428.537 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690723262 MERQHAAZNSLNHF-UHFFFAOYSA-N 434.484 2.494 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1692854563 RUYSQEDQNZVGMT-KXBFYZLASA-N 434.953 2.407 30 10 IEEE COc1ccccc1Cc1nnc(N(C)CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1697576543 REYYTIDOXCHCTA-DQRAZIAOSA-N 436.516 2.250 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCOC1)C1CC1 1698305660 FTBYRFSIUROXKX-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1698493128 IYNJMQRIWAHIBL-KBPBESRZSA-N 437.426 2.300 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705520146 JXBHNGFJWOMEOU-QFIPXVFZSA-N 439.608 2.492 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705569139 ZVPUKORYFHJQJJ-MOPGFXCFSA-N 446.573 2.075 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705571677 FLNNRKCUVGUSSA-ZIAGYGMSSA-N 434.484 2.345 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705611261 VYRBKFUGPWWSJY-HXUWFJFHSA-N 430.560 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1705644242 JSQYDYCFGILSRW-QZTJIDSGSA-N 429.565 2.301 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705660100 MTTQIVVVMHXZGN-GHTZIAJQSA-N 444.649 2.291 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1705897049 FJJWUNRKGCBSLP-KSFYIVLOSA-N 429.496 2.476 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705903820 VRDSMNJRFKJHKX-ZWKOTPCHSA-N 431.924 2.285 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)cc1 1710325518 TWBVEMBXKSCBBS-VDGAXYAQSA-N 440.548 2.396 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1711520860 FOBZJFDOJCEERH-KRWDZBQOSA-N 440.548 2.458 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722311070 SJYQJQJVDMWLBE-LJQANCHMSA-N 443.573 2.257 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21 1722316513 JISFCTLRVXVATB-QYZOEREBSA-N 435.594 2.183 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1722353872 VJESYTBKTMTXBT-UHFFFAOYSA-N 430.516 2.111 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722369403 YVWXWPCZVCDKLE-LJQANCHMSA-N 428.558 2.424 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722511204 XRMRNXVBLRJSLC-WIYYLYMNSA-N 445.589 2.259 30 10 IEEE C=CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722621817 CKIRKPMHUYGXQG-PMACEKPBSA-N 432.613 2.407 30 10 IEEE C=CCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1722621960 DFGHEWGLYLREJM-UGKGYDQZSA-N 430.553 2.307 30 10 IEEE CCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 1728116814 NGAFHEWHLWNFDH-UHFFFAOYSA-N 436.545 2.273 30 10 IEEE CCNC(=O)C1(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1728657677 DRYLRCVCJDKVBH-YADHBBJMSA-N 448.543 2.067 30 10 IEEE CN(CCC(F)(F)F)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1729495432 LXKOPPDRZYECLT-ISLYRVAYSA-N 449.437 2.179 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1730928215 BZGIYRMYYGRINO-KRWDZBQOSA-N 429.521 2.395 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1731181250 QMGUUWCHAUKDJC-IBGZPJMESA-N 446.502 2.399 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(CC)s1 1740540594 XLUDHCYXQJDHNE-CYBMUJFWSA-N 430.559 2.269 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1740600286 KZVOWNJKRNZFEH-HSZRJFAPSA-N 433.597 2.278 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740626449 USXKUDYAVRFZTM-LJQANCHMSA-N 441.582 2.195 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OCC)CC1 1740705919 ONLFXOOFDISETK-FQEVSTJZSA-N 437.544 2.195 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](COC)C1 1740721451 JMLIOKYISHXFNF-INIZCTEOSA-N 433.603 2.499 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1740727010 WFLFSGUDMPKMPA-NHCUHLMSSA-N 446.598 2.209 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1740834449 XJIJXFQHQNMDLR-QGZVFWFLSA-N 444.561 2.153 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740863815 GYACIAVSZYQMJL-MSOLQXFVSA-N 437.610 2.279 30 10 IEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740940949 XDSASYJFKRIXHT-UHFFFAOYSA-N 438.532 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740994359 QGMMVYHNVSTILI-UEXGIBASSA-N 438.594 2.298 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1741131117 DFKAXPOOJMLYLC-QAPCUYQASA-N 445.545 2.211 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1748451840 GBOQBCWCIQZIDQ-FQEVSTJZSA-N 426.521 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1748673282 FCEUXYNXJFZKMU-RCCFBDPRSA-N 433.553 2.471 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](C)N2CCOCC2)c1 1748694769 NNDZUWRRRXUSRE-IBGZPJMESA-N 438.576 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccccn1 1748828586 HLGZYOUZTSHTIZ-UHFFFAOYSA-N 447.568 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)[C@@H](C)CC)CC1 1749009092 MOZSWZYUCIOMHE-IBGZPJMESA-N 437.592 2.345 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)OC 1749327070 IAYFSLPLYJDWOA-WIYYLYMNSA-N 435.532 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1749663547 JGWIFQGKUFHBMW-UHFFFAOYSA-N 443.552 2.317 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1CSC 1749678131 WWIVFRGAIPZJOE-QGZVFWFLSA-N 426.546 2.363 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682636 XNUFTTBLRVMZJK-HTAPYJJXSA-N 429.521 2.208 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1750032504 MOFKKTPLCBZFFV-RTBURBONSA-N 427.505 2.240 30 10 IEEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1750109333 XXZTZKNRMRAJIO-LJQANCHMSA-N 441.532 2.364 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1750989677 GKRVHTBTDSCERH-UHFFFAOYSA-N 440.548 2.385 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1751095288 CBZZQLNSOMJHBI-DOTOQJQBSA-N 444.540 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOCC1CCOCC1 1760095919 BXCNLIQFNJCSMW-KRWDZBQOSA-N 426.521 2.217 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760148666 IFOOGGMOUBRNOT-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760188859 DKYUZBGLVJXINW-QUCCMNQESA-N 425.558 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)COCC)CC1 1760272126 ZOWPAHHRWOOLLP-UHFFFAOYSA-N 438.576 2.292 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760336274 WTVKWNYYQWSJRZ-MJGOQNOKSA-N 439.564 2.411 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CCOC)CC1 1760389301 HURIVEMXNYLUNM-HSZRJFAPSA-N 441.580 2.396 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760447106 DLNQMWSXBNOXHA-IBGZPJMESA-N 438.532 2.304 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1760495147 GLLLSCISCPYTBA-QGZVFWFLSA-N 429.546 2.387 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1760865908 GCMILJFKURFSGN-VXKWHMMOSA-N 442.543 2.301 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763735660 IEPDMPINTJVINJ-CVDCTZTESA-N 439.564 2.316 30 10 IEEE CCNC(=O)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1765617013 CFFIHHCYEKEYRT-QHCPKHFHSA-N 437.548 2.344 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1769262043 CUUIDTGDSKLZOL-UHFFFAOYSA-N 448.531 2.494 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1769276093 NBXODRNWSYXQPK-GOSISDBHSA-N 441.511 2.185 30 10 IEEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)C1CC1 1769544885 HAISKXYIUMSGQS-HSZRJFAPSA-N 438.532 2.246 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CC1 1769900588 OGYRUPFCPRKWJG-UHFFFAOYSA-N 446.559 2.482 30 10 IEEE COc1nc(C)c(I)c(C)c1C(=O)NCCN1CCC(C#N)CC1 1850226397 ZHFSTPRROCEZMZ-UHFFFAOYSA-N 442.301 2.277 30 10 IEEE CC(C)(C)[C@H](C(=O)N(c1ccccc1)c1ncc(C#N)cn1)N1CCS(=O)(=O)CC1 1851709234 DXUAQSGGYZVZEV-SFHVURJKSA-N 427.530 2.158 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c3c(nn2CCC#N)CCC3)c1 1853281361 RGHMWCLMFGLEOA-LJQANCHMSA-N 427.530 2.386 30 10 IEEE CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1c(C#N)cnn1-c1cccc(C(F)(F)F)c1 1853296645 IUISLXPSTRFZFL-AWEZNQCLSA-N 427.408 2.125 30 10 IEEE Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1853817419 CMBJGDFZLCJTRL-UHFFFAOYSA-N 431.901 2.122 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CC[C@@H](Oc4ncccc4Cl)C3)C2=O)ccn1 1855102762 JRFFLJWZDKRNTI-SJLPKXTDSA-N 425.876 2.286 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc1 1858626821 FJCSKVDXRPULGU-UHFFFAOYSA-N 427.486 2.055 30 10 IEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861175423 GVNPQUKTDVQZEJ-FGZHOGPDSA-N 427.589 2.460 30 10 IEEE C=CCNC(=O)[C@@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614729 YBFUALIKGKKQAN-UKRRQHHQSA-N 439.965 2.242 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc(Cl)c1O 1862634706 RLWALAPCQHZDPK-KRWDZBQOSA-N 447.827 2.354 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862707403 VITIUTCVIDJKGA-DJJJIMSYSA-N 425.437 2.441 30 10 IEEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN1CCN(CCO)CC1 1870780299 OTHLQRXHGLRFIJ-UHFFFAOYSA-N 441.572 2.301 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871690415 AGTABCMCCANVLI-UHFFFAOYSA-N 427.553 2.018 30 10 IEEE COc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)c1O 1874353795 BDEZJRXVOWXCIF-LSHDLFTRSA-N 427.486 2.169 30 10 IEEE CCc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] 1890180195 YUHNSYBAHBGTBK-UHFFFAOYSA-N 428.533 2.029 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)s2)OC1(C)C 2248587017 KLXLKAKALFQRGL-OAHLLOKOSA-N 431.319 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255377729 QUYMEGVOFQANEJ-HNONPPJISA-N 431.342 2.473 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255626730 JSMKAKMCFGIISB-INIZCTEOSA-N 426.370 2.278 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255636931 BJAGSNXTWDNGPI-ZSOGYDGISA-N 449.382 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255702214 CJEWPOHNFMDVLO-HOCLYGCPSA-N 431.342 2.395 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843839 MPVLYOXXGPMWIQ-UHFFFAOYSA-N 434.346 2.057 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)CC(CO)C1 2256677332 WITJUNFDNOTIRH-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256936870 BWGWKDOCCZVKBW-CJNGLKHVSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267142888 AEANSDPSOWCJBP-QKDCVEJESA-N 446.357 2.369 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267179640 SRIYGMULHRGNCV-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](F)C1 2267272799 DETOIJKHBCHJFO-HOTGVXAUSA-N 449.332 2.458 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267510009 DYOSHMMSXXOXBL-IBGZPJMESA-N 438.381 2.422 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CCN(Cc2ccccc2)CC1 2267533217 PILFTVPDHZIWMY-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2267598305 YEXULROLZLTCFK-ROUUACIJSA-N 446.353 2.086 30 10 IEEE Cc1cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267605692 PGKLNWGAQBPTBI-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881557 IMUKFYFWQPCPGJ-CABCVRRESA-N 446.357 2.151 30 10 IEEE CCn1cc(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2271961889 SFVMFTARGCUJFZ-HUUCEWRRSA-N 448.373 2.235 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2283072716 SRPNBLVOXIYYMP-KBMIEXCESA-N 448.376 2.418 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc[nH]1 2330726905 GBKCAZOZLLNGTH-UHFFFAOYSA-N 425.518 2.418 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc21 38707847 YTGVJLZVRUFRDR-UHFFFAOYSA-N 435.546 2.234 30 10 IEEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2c(Cl)ccc(Cl)c21 44359925 UJGIOBJSGNMITR-OHEASWGXSA-N 432.354 2.494 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 46841395 IPCRBMREADRJAZ-HOTGVXAUSA-N 447.543 2.475 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1OC 102753412 HBZIAYRICOFCSG-LCPUNJGISA-N 440.500 2.094 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CCC1 430975043 HXHXDOGSKNPXSE-UHFFFAOYSA-N 440.525 2.271 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCOC1 441918129 FPWGKBJKCQJEIU-GOSISDBHSA-N 446.528 2.341 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cn1 469902996 XRVLUNRBMZNNEB-OAHLLOKOSA-N 440.261 2.250 30 10 IEEE N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 476538555 RFEDLCUCMMXUGK-ZWKOTPCHSA-N 444.944 2.089 30 10 IEEE COc1ccccc1C[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481223219 ACHRYMNALBSZOD-VQIMIIECSA-N 427.526 2.467 30 10 IEEE COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CCC(C)(C#N)CC3)cc2)C1 506272414 SMZHLNFDGCZDMM-MRXNPFEDSA-N 448.545 2.418 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 508277989 FVTAIZGNLMLJKT-UHFFFAOYSA-N 441.553 2.320 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 520757150 CRESOEXGTRUPDW-CQSZACIVSA-N 432.492 2.485 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 522875072 WUICBOHNKBWFNL-UHFFFAOYSA-N 434.861 2.267 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 524124213 KRNGESCRMJPAAM-UHFFFAOYSA-N 436.455 2.236 30 10 IEEE N#Cc1cc(S(=O)(=O)N(CC(=O)O)Cc2cc(Cl)c3c(c2)OCO3)ccc1F 548574348 PCXVFAUXMRMXRI-UHFFFAOYSA-N 426.809 2.355 30 10 IEEE Cc1c(I)cn(Cc2nnc(-c3ccccc3)n2C)c(=O)c1C#N 574368255 HAABEUHRMQEWTB-UHFFFAOYSA-N 431.237 2.477 30 10 IEEE Cc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824644 WICIKCZUGGKDLA-KKMKJULVSA-N 431.492 2.110 30 10 IEEE N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCCn1nc2ccccn2c1=O 603562680 GEFIKFOSRGSOTF-UHFFFAOYSA-N 431.481 2.389 30 10 IEEE CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610531408 BAPDTFZSICGJQV-UHFFFAOYSA-N 432.477 2.494 30 10 IEEE C=CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669815666 HIAWMIJCBPCLHA-FXAWDEMLSA-N 428.606 2.495 30 10 IEEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730143623 VACBCQRIQMGENO-OALUTQOASA-N 432.590 2.482 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccs2)cn1 730144278 IYAUBQOAKINVAM-INIZCTEOSA-N 434.591 2.164 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cnc1Cl 749862330 PCNRHPLTAOHUOQ-AWEZNQCLSA-N 443.956 2.175 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 767752483 VQICFXQYNPYZLX-KSSFIOAISA-N 439.534 2.126 30 10 IEEE COc1cccc(C#CCOC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)c1 771614999 MWUPHOMOFPJAPP-DEOSSOPVSA-N 436.464 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CCN(c2ncccc2C#N)CC1 772219632 IYCOSSKWUNTFQK-QGZVFWFLSA-N 431.562 2.344 30 10 IEEE Cc1nnc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)s1 779746474 VZNCXWYFDYEBPJ-INIZCTEOSA-N 446.602 2.355 30 10 IEEE C=CCOCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 780045954 GPSYZIVQEDTRKF-ROUUACIJSA-N 438.569 2.126 30 10 IEEE C#Cc1cccc(NC(=O)C(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1 783407469 CHAYTMCJGGZCIM-HXUWFJFHSA-N 439.899 2.318 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC[C@H]1CCOC1 784119437 UXISWFKMBIBTRP-PKOBYXMFSA-N 432.590 2.421 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNCc1c(F)ccc(I)c1F 792979266 HLJPNVJIYBSEJB-PFONDFGASA-N 433.196 2.185 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1F 797587231 SCGUPKMBRVMNPT-AVYPCKFXSA-N 426.510 2.089 30 10 IEEE COc1ccccc1NC(=O)Cc1nc(COC(=O)[C@@H](C)n2cnc(C#N)n2)cs1 798746298 QXHKCBLZFMCTMI-GFCCVEGCSA-N 426.458 2.100 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCO2)cc1OC 802689276 MUVZYIGBQUZIFU-MOPGFXCFSA-N 438.532 2.318 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H]2C[C@@H]2C(F)F)C1=O 807929532 KNWGMUXSXUCUPE-CQDKDKBSSA-N 428.480 2.479 30 10 IEEE C=C(COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21)C(=O)OCC 811362912 JBYXRXCUUGEZQG-BUAHTRFOSA-N 435.476 2.128 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 812177748 OLHGVMJBRGEMSD-ZACQAIPSSA-N 437.541 2.013 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(F)cc1 812935240 AHANGDDZQNXUBF-PMACEKPBSA-N 438.507 2.095 30 10 IEEE Cn1nccc1-c1ccccc1/C=C\C(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 814187461 KBNBPWJLKKTBTO-FLIBITNWSA-N 425.466 2.346 30 10 IEEE C#CCN(C)CCCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 818592889 DLJANIKEDSAWEF-UHFFFAOYSA-N 425.554 2.119 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 916777815 VSSOFWQXOQUJKS-UHFFFAOYSA-N 431.861 2.467 30 10 IEEE CCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)ccc3OC)n[nH]2)cn1 1084478282 XBWKKAXBYCCTRT-UHFFFAOYSA-N 430.494 2.215 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3cccnc3)n2)cc1OC 1084615373 ZSCZNMNHMYTHPD-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)c(C)c1C 1124334665 WLWSVQJSCWXQHD-JOCHJYFZSA-N 433.574 2.382 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)cc1 1142601962 RAMRTGWMDPFEBK-CYBMUJFWSA-N 435.527 2.138 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nc(C3CCC3)no2)CC1 1171781770 DLOGGIGVCGNCSB-AWEZNQCLSA-N 443.529 2.282 30 10 IEEE C=CCN(CC(=O)OCC)S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1186095150 JBZYHVMSORPQAW-IBGZPJMESA-N 438.546 2.416 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2CCS(=O)(=O)c1ccc(C#N)cn1 1198186168 ROXAIHGCCHSDCQ-UTKZUKDTSA-N 434.562 2.496 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)cc21 1209766981 AHJKEPYRTLEDTD-UHFFFAOYSA-N 447.561 2.317 30 10 IEEE COc1ncc(NC(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)cc1C#N 1220040061 DGMIIJPKMKWSMC-UHFFFAOYSA-N 435.531 2.179 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCCc3cnc4c(Cl)cnn4c3)CC2)c1C#N 1251357619 PLUPTZUNMQDZEZ-UHFFFAOYSA-N 430.925 2.094 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1286304235 FZFZQBWVFAGUEQ-MRXNPFEDSA-N 432.546 2.148 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286351730 SVNJATCYTBTHFP-KRWDZBQOSA-N 433.553 2.187 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388394 OODAUIIZICPFKY-DYESRHJHSA-N 432.546 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1286400064 VHCSVJDMGQRQMM-RUZDIDTESA-N 449.555 2.050 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)OC 1286458375 RWVZUTOEVGNQGU-KRWDZBQOSA-N 434.537 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)[C@H](C)CCC)CC1 1286486236 JNNBVEBYETWAOE-QGZVFWFLSA-N 430.597 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCCO[C@H](C)C2)CC1 1286486500 NGACNNDTBJQMHA-VQTJNVASSA-N 444.624 2.258 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286500423 XOBPIUVSYAEETI-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(CC)CC1 1286528423 ZZFOABGLYDLLMH-ZJSXRUAMSA-N 438.624 2.158 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1286561785 OVZNIIGYPCQPIS-UWJYYQICSA-N 440.548 2.100 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286781609 VMVPEBUYLIJIFU-KRWDZBQOSA-N 432.594 2.275 30 10 IEEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1287046066 KCTYNKZQJZMAKV-QYZOEREBSA-N 449.559 2.278 30 10 IEEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1OCc1ccccc1 1289436285 GMMMAUXIJIBXAR-PGRDOPGGSA-N 426.494 2.285 30 10 IEEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)s1 1290474605 DJYSONKONCFYDW-UHFFFAOYSA-N 447.528 2.371 30 10 IEEE C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1291170513 SSIALVATQLHFCV-WZGSHADRSA-N 435.532 2.273 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1295991587 KCKXRFOXJWWIDT-OIBWEIMRSA-N 449.559 2.390 30 10 IEEE CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)CCSC1 1298042184 HDUOWEHLBCWCCF-NRFANRHFSA-N 440.577 2.103 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1)CC(F)(F)F 1298696860 BVKCIVSJLDXMHF-HXUWFJFHSA-N 447.465 2.170 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1300499555 UQIDBGSIWDDBFN-PKOBYXMFSA-N 445.614 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1 1300578306 KRDOUMQZEZAMQE-KRWDZBQOSA-N 432.496 2.164 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1301219802 KIHWZBALCSODJS-UHFFFAOYSA-N 437.504 2.350 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1301363484 USNYSYNZNCTWIZ-RXAIFQJESA-N 442.632 2.203 30 10 IEEE C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C[C@@H](C)C#N)N(C)C 1301970140 DNLXMWIFPYMLRI-SFTDATJTSA-N 438.624 2.189 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(NC(C)=O)c1 1302029634 PSHXJWOJCSLZRV-QVKFZJNVSA-N 430.484 2.451 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1302066298 DFTMAAAMDFUVHB-QGZVFWFLSA-N 444.536 2.210 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CCO2)cc1 1304193621 JODAJDUTTJTTHJ-QHCPKHFHSA-N 448.523 2.413 30 10 IEEE CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1305842689 QBKNPRDWNIHMSZ-HXUWFJFHSA-N 432.532 2.282 30 10 IEEE CCCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306761100 QRTKMMWDMNXIQD-IBGZPJMESA-N 425.537 2.192 30 10 IEEE CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1313688385 LLVOILZHKWIDEA-GRNWLOBZSA-N 438.488 2.163 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1315818359 YMHIFEUKXBABDF-VQTJNVASSA-N 428.512 2.102 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316257856 RYDKSDHMCXABDC-NRFANRHFSA-N 435.532 2.046 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)c1 1354285446 IYYFEOGYHBGHEC-PESPDQJRSA-N 432.546 2.134 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1358911337 REHAUGVICPWDDI-UHFFFAOYSA-N 433.516 2.456 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCN1C1CC1 1358941227 BRFHOUHBJSMXBA-IBGZPJMESA-N 427.574 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCOC 1358991866 RETQRFDAKRWIIL-UHFFFAOYSA-N 428.562 2.128 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(Br)n2)n1 1359027640 QFINLTAJJNWVTI-UHFFFAOYSA-N 444.337 2.275 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@H](COC)C1 1359052935 VTCQCQNHRXNGIQ-WMZOPIPTSA-N 444.557 2.323 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1359069923 BKTZZEXKBDZQGP-DENIHFKCSA-N 428.558 2.367 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC 1359070309 KFGQCSNTQSAURX-UVDDSOTQSA-N 441.605 2.213 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359091205 KMOCQSJVDYFDGF-KKKDIUQISA-N 447.580 2.231 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)C)CC1 1359125968 AQHJCRUSUYUDHP-UHFFFAOYSA-N 427.553 2.485 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@](=O)CC)C1 1359323445 OZPKEFPLDJTUDB-YVGXBJCXSA-N 428.562 2.067 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1361120562 NARNDWWJQZHKKN-PGRDOPGGSA-N 426.496 2.353 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 1438772708 WEOUEUATWNDIBC-QGZVFWFLSA-N 449.602 2.002 30 10 IEEE COCCCN(C(=O)C#Cc1cccs1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1441981369 SFBJQGRQJWQVED-UHFFFAOYSA-N 438.509 2.062 30 10 IEEE C[C@]1(c2cccc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2)NC(=O)NC1=O 1452692656 LWERTSSBIMJBNU-XMMPIXPASA-N 431.496 2.007 30 10 IEEE COc1ccc(NC(=O)/C=C\C(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 1463700788 VCQDQKNLHSAZHM-NTMALXAHSA-N 444.509 2.402 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cnn(C)c1I)c1ccc(Cl)cc1 1463834529 SIEFCDXEECCEEL-NSHDSACASA-N 435.674 2.331 30 10 IEEE N#Cc1c(F)cc(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)cc1F 1464227476 BFVAULKWFPFTOI-MRXNPFEDSA-N 429.423 2.440 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3(OCCO)CCC(C(F)F)CC3)CC2=O)cc1 1472156861 PDNVJIWHTSDUIU-JQHMZKTJSA-N 435.471 2.230 30 10 IEEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503529554 JGSPWTNNIPKIHQ-DQRAZIAOSA-N 447.499 2.101 30 10 IEEE CO[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503939523 HHEUXYJZSXNKTA-LJQANCHMSA-N 431.544 2.493 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1504829474 JALFXINRZAUXSH-WOJBJXKFSA-N 427.505 2.149 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)COC)CC1 1507595391 PAMVBSCFJSXDEY-UHFFFAOYSA-N 425.533 2.128 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)CC 1507673417 UKFDUYDXDJRWQR-UHFFFAOYSA-N 428.558 2.372 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2cc(C)nn2C)CC1 1507736193 HAQZRRUUNDJETG-UHFFFAOYSA-N 431.544 2.310 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1507754247 MFVLHLDPWBRMRT-QGZVFWFLSA-N 440.573 2.287 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1507755456 UUFMHVMKRXACPU-GOSISDBHSA-N 446.527 2.200 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1507757545 ZTZSYFIYNRCLTP-UHFFFAOYSA-N 449.584 2.361 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1507844524 LBMSRJWZBKTSKI-SFHVURJKSA-N 438.594 2.170 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1507980387 GLUDFPVHDDGWDV-LJQANCHMSA-N 445.589 2.256 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCC2)C1 1508074471 SMCSNBMPLVUFFX-UHFFFAOYSA-N 449.353 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCO2)C1 1508114385 ABQAIXVJQKVIRB-ZWKOTPCHSA-N 432.546 2.309 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](C)C1 1508131596 NPRLJYPTTBCOCY-INIZCTEOSA-N 432.550 2.153 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1508410693 FXLAWQRRQIPQEO-TXTKFYIRSA-N 448.612 2.271 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508556810 FVRINYMJTZAVBU-PAMSCFNVSA-N 442.564 2.256 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508556811 FVRINYMJTZAVBU-VCASGEJDSA-N 442.564 2.256 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1510743496 FEXXPLZQZNTNHY-NJNPRVFISA-N 429.496 2.456 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 1517944753 GGNUSTXTERTLDV-AWEZNQCLSA-N 442.907 2.305 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1518763320 BMSCIIJRMNOGSN-MOPGFXCFSA-N 444.511 2.018 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(C3CCCC3)n1CC(=O)NCC(F)(F)F)C2 1521083139 SNYTWYPGZPCUHX-UHFFFAOYSA-N 449.437 2.149 30 10 IEEE C=CCn1cc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)nn1 1526049878 PLCTVBAQDMVEDP-OAHLLOKOSA-N 437.287 2.292 30 10 IEEE CCOC(=O)c1c(NC(=O)c2ccc3c(c2)SCC(=O)N3)c(C#N)cn1CCOC 1526750342 FPLRBJKLIAZOMB-UHFFFAOYSA-N 428.470 2.479 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCCOC1 1534509848 MALQUTGKOFYZHF-VGSWGCGISA-N 430.505 2.254 30 10 IEEE N#Cc1c(NC(=O)CCOc2cccc(I)c2)nc2n1CCOC2 1537678996 IQUPDWLVNNGCIZ-UHFFFAOYSA-N 438.225 2.297 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)O1 1538456135 IBZLHPQKHBWHFH-PCCBWWKXSA-N 429.517 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1538973812 QEZUCBDNYIWSMQ-SJORKVTESA-N 429.496 2.264 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1539222130 TVUUQCNWOCVAMR-DLBZAZTESA-N 426.608 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1539305678 LBVBIGWKSLYLKS-UHFFFAOYSA-N 433.965 2.389 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539434854 VXBLYRDWEZEKFY-AZUAARDMSA-N 439.560 2.269 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1)C1CC1 1540107917 FWVFZEFXEUFBNF-SJORKVTESA-N 441.623 2.052 30 10 IEEE C=CCn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540860982 XFQSHAQXQUVSBX-HXUWFJFHSA-N 431.497 2.451 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CC1(C(N)=O)CCOCC1 1541118814 HQOBAWYABPGITK-QGZVFWFLSA-N 435.532 2.159 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1nnnn1CC1CC1 1541805631 ULAPHMFYPLVDFO-CYBMUJFWSA-N 427.463 2.330 30 10 IEEE C[C@@H](CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)c1nccs1 1541831587 UTOKYQQRHGFHSF-KBPBESRZSA-N 446.558 2.390 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H](C)S1 1545059659 JNQHKMPDWKGPQQ-TXPKVOOTSA-N 429.546 2.474 30 10 IEEE COc1cc(Br)c(N)c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1545776979 OZMPLJRJSNZXEY-NSHDSACASA-N 431.294 2.052 30 10 IEEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)N(C)C)n1 1548375351 ITTVIOYDCZJLPN-SFHVURJKSA-N 448.449 2.213 30 10 IEEE Cn1ccc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)n1 1554341337 CVIZZUCCDGWJSF-KRWDZBQOSA-N 429.431 2.251 30 10 IEEE Cn1nnc(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(CC#N)CC2)n1 1554365571 APGCHQBMCLTLDC-UHFFFAOYSA-N 442.325 2.409 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)C1 1554531470 GHEVHMOEXGETLL-KRWDZBQOSA-N 434.504 2.211 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1555845270 HGTXYLTXTNVNAA-YOEHRIQHSA-N 435.575 2.104 30 10 IEEE CSC1(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CCN(C)CC1 1555860479 SHSANFIYAXHERM-UHFFFAOYSA-N 426.594 2.007 30 10 IEEE C#C[C@@](C)(CC)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1556664504 QVBDTGTZRDPSSM-ACJLOTCBSA-N 443.363 2.438 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 1557438305 QDSPGDYOPYTWRS-MAUKXSAKSA-N 435.509 2.184 30 10 IEEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3c(C)cc(F)cc3C#N)cc2)CC1 1561468812 NTNMYZVDFAUVLR-UHFFFAOYSA-N 430.505 2.153 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1587632413 LRIDGXXOURYOES-LEWJYISDSA-N 437.592 2.237 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1588040216 JPIHKUSJHQNHMV-YLJYHZDGSA-N 436.965 2.386 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1589615651 SJTGHNOBTDUYQN-GOSISDBHSA-N 435.536 2.238 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1)c1ccccc1 1593782789 VFNGTCWKFAQNSD-OJAHFUOMSA-N 445.589 2.463 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1594528723 MQKROGTVULZAFO-UHFFFAOYSA-N 439.568 2.420 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1595100662 RXDOJUPHXBSPKM-YLJYHZDGSA-N 442.589 2.195 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595537693 WHDNNRVCDNBPMO-UHFFFAOYSA-N 440.523 2.339 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)C(F)(F)F)c1 1596077819 HEBZQMRBTKCJQM-OAHLLOKOSA-N 448.386 2.003 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)(C)CN1CCCC1 1598131739 ICBYXCXXDCUQIB-UHFFFAOYSA-N 432.590 2.292 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1611527488 HVCBZFYROTWHAS-ZWKOTPCHSA-N 430.505 2.100 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)nn(C)c2C)c1 1619135246 BUCVNBHNVIDCFF-LJQANCHMSA-N 437.504 2.090 30 10 IEEE CS[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1620194092 BWKWRWDSKUAZCH-CVEARBPZSA-N 437.577 2.412 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2cccc(Br)n2)CCO1 1620355777 NBPCNBFANSINFG-OAHLLOKOSA-N 426.278 2.275 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(CC(=O)Nc1cccc(C#N)c1)C2 1620579616 VYBHAKXBDDMSRP-WLENULPWSA-N 442.516 2.275 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)s1 1624576002 FEMHPVUWZRBOMJ-CYBMUJFWSA-N 431.580 2.174 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)cc1 1625218573 HVWSYPUBWIFPAB-HCVLRFJKSA-N 436.578 2.063 30 10 IEEE C=CCCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1632307855 SUDPOQZCRFIBRV-OAGGEKHMSA-N 432.608 2.082 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1637514232 QNHLQSRXTCIWJA-HOTGVXAUSA-N 425.526 2.045 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(c4ccon4)CC3)CC2)cc1 1640819687 ZNFOVKOYJQEIEV-UHFFFAOYSA-N 428.514 2.353 30 10 IEEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3ccc(Cl)s3)CCOCC2)c1 1645666160 JRUPELFIMQMDCV-UHFFFAOYSA-N 439.946 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2CCS(=O)(=O)c2ccc(C#N)cn2)C1 1648111375 YMPXZZSYEVJXOI-QZTJIDSGSA-N 434.562 2.448 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@H]1C 1649563103 FTAXGPMPBWIEJH-UONOGXRCSA-N 436.358 2.495 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)cc1 1653683502 BOXLPQDPZHMFBD-UHFFFAOYSA-N 447.582 2.400 30 10 IEEE COc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(OC)c1C 1662294767 BYEQPMHMWDMUAZ-UHFFFAOYSA-N 444.513 2.422 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OCC 1663385661 YTALOLBLMVOXPD-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C)C1CCOCC1 1667021866 XFLGQBYFZDFRRW-SFHVURJKSA-N 436.578 2.333 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)cc1 1667322036 LSZLLIZLEYFURX-FQEVSTJZSA-N 439.534 2.115 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H](S(=O)(=O)N(C)CCOC)C3)cc21 1673312218 SBEFCYGHCAAFEA-SFHVURJKSA-N 435.550 2.127 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1684755035 QTAFSESXZMKGBC-UHFFFAOYSA-N 433.578 2.257 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 1687137619 IPURUDMHSHRTIH-IBGZPJMESA-N 428.489 2.199 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(Br)c1 1689972601 UYRYMCCLFBEWBF-UHFFFAOYSA-N 446.349 2.484 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689998202 FHLPXFRABHWWHK-UYAOXDASSA-N 444.557 2.144 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(F)ccc1F 1690100762 ANQMKLPRJPRHRE-UHFFFAOYSA-N 429.427 2.418 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N(C)C2CC2)CC1 1690133866 WSSPGHHSTWHFSE-LJQANCHMSA-N 438.576 2.104 30 10 IEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)OC 1690220791 AQTYURQZOHYQAF-UHFFFAOYSA-N 430.328 2.102 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCc1cnccn1 1690226909 PSJGWVSAUPNOJF-UHFFFAOYSA-N 446.309 2.383 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCSC)CC1 1690411163 GLGZVUZNVDZMCY-QGZVFWFLSA-N 443.639 2.157 30 10 IEEE C=CCn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1690653076 AWHSILACOLJIQK-ZRCGQRJVSA-N 432.613 2.111 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccsc2)C1 1690684955 SHDVWNSQLRUYGP-UWJYYQICSA-N 431.562 2.265 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)C1 1690686614 QSZHTGVQYZGGJR-LLBVYWAGSA-N 445.539 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccsc1 1690714285 JBMJRPLZFPIOKI-UHFFFAOYSA-N 446.558 2.224 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1692579436 AYQWZMAAFVLPFA-KNQAVFIVSA-N 433.553 2.254 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C1 1696940927 BBDRALOCBYYZEW-NRFANRHFSA-N 449.559 2.038 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)C[C@H]1O 1697066597 RKEHBPJFZJTPQD-YLJYHZDGSA-N 435.484 2.051 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1705610520 RSPILXMTXBZLFY-QGZVFWFLSA-N 440.573 2.320 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCCC2)CC1 1705632594 VSKKPETWFPRWPT-UHFFFAOYSA-N 449.603 2.388 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)C)CC1 1705644691 ZHNFPVATJAJGHJ-UHFFFAOYSA-N 437.548 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccco2)N(C)C)CC1 1705647933 MDJSGXIOOLSBSM-LJQANCHMSA-N 426.565 2.338 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NC)CC1 1705654705 QZOGYBXUDAFDFQ-UHFFFAOYSA-N 428.518 2.182 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705662766 KPJYHSXBSONFTA-LJQANCHMSA-N 426.590 2.371 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1705707449 LIANTMLSLWXOMA-JYRKZWEQSA-N 447.580 2.088 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nccnc2C)CC1 1705708767 GXUWXGBBCNCAPH-UYAOXDASSA-N 427.553 2.221 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1705724347 HVKSXPAPDISSAX-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2cn[nH]c2)CC1 1705764631 GMHMPKSEOGXYBD-UHFFFAOYSA-N 441.561 2.318 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1705948356 QKTPWXUYPPCIRI-MRXNPFEDSA-N 431.566 2.395 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1706081971 IMPISQWMRIMHFQ-QZTJIDSGSA-N 442.589 2.336 30 10 IEEE Cc1cccc(-c2nnc(N3CCSC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1707603562 CGMRSHHLSICVDF-ZJYNUGOYSA-N 439.545 2.117 30 10 IEEE Cn1cnnc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1711269945 AKWMQKPGYGDXOY-UHFFFAOYSA-N 437.527 2.381 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1coc(-c2ccccc2)n1 1712565713 GOADGLMCMBMMIQ-APWZRJJASA-N 438.488 2.434 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722282669 ZPILDXTXHOVWMF-TXPKVOOTSA-N 429.487 2.272 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCOCC1(C)C 1722303765 SFTHPIMETBWCMO-GOSISDBHSA-N 427.549 2.434 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCC(=O)NC(C)(C)C 1722417672 OYBSJWQVTSLQSP-UHFFFAOYSA-N 442.539 2.500 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCc2nccn2C1 1722425725 KEPZHGLOEOJFQV-LJQANCHMSA-N 434.544 2.423 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1722454937 PYJWCOBOZRTMMU-INIZCTEOSA-N 441.557 2.140 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722459673 OXHPIWRDQXACJO-CVEARBPZSA-N 444.573 2.418 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722460642 JEZWHJDALJXZOY-UHFFFAOYSA-N 436.541 2.186 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CCCO)CC1 1722502457 IQNNUBBIPPASCO-SIKLNZKXSA-N 431.581 2.371 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2sccc2[C@H]1CC 1722701810 FOMQQXJUDXWCSU-MRXNPFEDSA-N 428.562 2.278 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCOC[C@@H]2C)cs1 1725355187 YZDYLOQTAGTCLM-HRAATJIYSA-N 429.594 2.485 30 10 IEEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)s1 1726340528 BXZIDZSOIBQJTM-STQMWFEESA-N 445.574 2.283 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740576270 ZSUZTPHFFWPLKN-LDLUVENISA-N 448.614 2.358 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1740578515 BUZFXDSLNAYGGQ-SFHVURJKSA-N 428.581 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1ccnn1 1740644396 DSHDZDXCJIUIKG-UHFFFAOYSA-N 430.516 2.292 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740746762 PRKOHVNJDGPNQB-LLVKDONJSA-N 448.412 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CC2)C1 1741213299 AMNUIHFVIFQGRB-MGPUTAFESA-N 434.516 2.359 30 10 IEEE CC(C)C(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741286973 OWCYTTQTVIXOCG-QFIPXVFZSA-N 449.603 2.402 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@@](C)=O)CCC2)CCOC1 1741724663 SOGQBUQXROAPAB-RZJJPTIESA-N 439.557 2.062 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCN(C(=O)OC)CC2)CCOC1 1746646236 DGQRUVFJSHFZHJ-KKSFZXQISA-N 434.541 2.147 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(C)CCCO2)c1 1748692281 FQDOLGIWZVXLMN-HSZRJFAPSA-N 433.516 2.304 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C 1748846490 HKKWHPLKSJLSOW-UXHICEINSA-N 425.558 2.088 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749204136 ZHRIXDMYHOXNSS-UHFFFAOYSA-N 437.541 2.433 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749265448 VRSQTDASULIQRW-INIZCTEOSA-N 439.969 2.431 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749462276 SDNRZFDIBMBMJG-LJQANCHMSA-N 444.536 2.418 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1749939917 YODYXPHWHRFBMM-DRSNIGMVSA-N 445.520 2.289 30 10 IEEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOCC(F)F)n1 1751615956 JHZAIKAEGDFQEU-UHFFFAOYSA-N 441.442 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1760117278 NPFDIJMHSBOVKP-PXNSSMCTSA-N 425.533 2.359 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760137434 JVJYLWKIARKOAS-INIZCTEOSA-N 429.550 2.292 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1760165049 HVXXOYQJHCICFK-QHCPKHFHSA-N 425.533 2.138 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(Cl)cn1 1760208932 OKGZHIZQDOVYPU-UHFFFAOYSA-N 426.908 2.104 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1760252111 LVARWSWWMPQNTN-VQTJNVASSA-N 442.608 2.111 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(F)(F)F)CC1 1760267612 SPGGQSAFALNPGI-UHFFFAOYSA-N 449.433 2.244 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1760433552 UDYKTEIEXHIGCT-INIZCTEOSA-N 438.623 2.238 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760520968 GASNDUTUOIJAEG-QGZVFWFLSA-N 436.520 2.101 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](COC)C1 1760528193 VGYILFZNRGZSAV-KRWDZBQOSA-N 431.562 2.033 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1761362786 ICLHGDGRVUPSLA-JKSUJKDBSA-N 434.541 2.361 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1765158368 HNFNDPHNWIXLKZ-LJQANCHMSA-N 446.577 2.150 30 10 IEEE CCCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1765893971 XWYRLQVUVCWCDW-HXUWFJFHSA-N 425.472 2.179 30 10 IEEE CCCNC(=O)c1cccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1766175704 SJZZPYNUTDSTFT-UHFFFAOYSA-N 431.500 2.310 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1766867858 FSENWCPHRJLNJL-MOPGFXCFSA-N 438.532 2.070 30 10 IEEE COc1cc2c(cc1Cn1c(CN3CCCC3=O)nnc1N(C)C[C@H](C)C#N)O[C@H](C)C2 1768399755 CPTNQIJTDDETTO-HZPDHXFCSA-N 438.532 2.377 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)c1 1768758580 GADOSLVYFFMWRQ-HSZRJFAPSA-N 448.531 2.247 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC[C@@H]2OC)cc1OC 1770042604 BYMJZBXGGKEZMO-WVBUVRCRSA-N 445.495 2.456 30 10 IEEE COCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1770166263 UJTMCNQIJHZXIZ-HXUWFJFHSA-N 432.550 2.063 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC1 1771539196 PUYYAUSZXHABTP-OAHLLOKOSA-N 431.447 2.480 30 10 IEEE Cn1cc(C#CCNC(=O)c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1 1850797832 VEWXAILBVFYCOL-UHFFFAOYSA-N 437.544 2.254 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1 1851430196 CBMDDKWTLLBTEZ-KRWDZBQOSA-N 439.541 2.171 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1852556556 JCOMMVMNPZUPOQ-LBPRGKRZSA-N 443.257 2.479 30 10 IEEE N#CCC1CCN([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1856551699 SFKGXYJXPHAPIU-LJQANCHMSA-N 435.521 2.133 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)c1 1862749492 ZIDNYDYEVJTDLF-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871642652 BWQAMYOIFUBYTR-UHFFFAOYSA-N 426.565 2.356 30 10 IEEE COc1cc2c(/C=N/n3c(S)nnc(C(C)(C)C)c3=O)c(C(=O)O)n(C)c2cc1OC 1873498031 JEHHMNGHBWPAJY-ZVBGSRNCSA-N 445.501 2.314 30 10 IEEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1890648540 DCRGFGPJUHOJPO-IBGZPJMESA-N 435.565 2.222 30 10 IEEE C#CCOC1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)CC1 1890827227 KUNVJKAMPCJMDC-YADHBBJMSA-N 428.554 2.484 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2cc(N)ccc2Br)CCN1Cc1ccccc1 1914859743 DZDGDGNMAHAMNV-MRXNPFEDSA-N 435.347 2.430 30 10 IEEE C=CCN(CCC(=O)N=c1ccc(I)n[nH]1)C(=O)OC(C)(C)C 1985069161 PCLDXEJUOFZECI-UHFFFAOYSA-N 432.262 2.255 30 10 IEEE CC#CC[C@H](COc1ncnc(O)c1I)NC(=O)OC(C)(C)C 1992438525 AGTNVTGGDJMMRJ-SNVBAGLBSA-N 433.246 2.472 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)C1 2020886494 LQGFJJPMHPVJQG-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2065463043 COCFAWQQCGZGBD-UHFFFAOYSA-N 431.342 2.404 30 10 IEEE Cc1nc(NS(=O)(=O)CCCOCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2069480680 JFYMLKOAISTEGD-UHFFFAOYSA-N 447.366 2.433 30 10 IEEE C#CCCN(C1CCOCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145925863 FLHICYKOFFIXKA-UHFFFAOYSA-N 432.542 2.287 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243369457 CWECKJAFHYPRGM-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247832148 KMSJFZYMZVCTFN-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247908123 NQQDSKBLIKRIFE-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2249675869 LEHXNLDSKITJKU-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE CC(C)(C#CC(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2249680671 QPYCPEFNSDPRMZ-QFIPXVFZSA-N 439.553 2.171 30 10 IEEE COc1ccc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255599146 WDDJCIWFUDJYLW-IRXDYDNUSA-N 432.326 2.390 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255609441 UAIAISDUUHYMSJ-RXSFTSLZSA-N 438.330 2.439 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255647109 TZDUEEIXBCHHGM-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830483 HCJOBQJMULRSEO-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837479 QACBFCMORCOPFK-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256680646 ZZDSZHLLWGCBGN-CYBMUJFWSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2259933012 ICVDJOMTVYAGKH-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE Cc1c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267004297 CNUZFDADMZHCIE-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2267006348 SHMXCDGMNFNJOB-UHFFFAOYSA-N 443.353 2.464 30 10 IEEE CC[C@](C)(CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2267116059 RBSIJJRBCHYSBI-HSZRJFAPSA-N 441.385 2.145 30 10 IEEE Cn1cc(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267121478 YAFYAAMHHHTTGQ-UHFFFAOYSA-N 446.357 2.016 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267143922 PGIGCHKNFAHGAP-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267178621 FIMNTQRKGFZLIH-IBGZPJMESA-N 438.381 2.360 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2267278535 DDTQJQSEWXJYGH-WOJBJXKFSA-N 438.333 2.485 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2267451097 LJKAQHLIBRVODR-LJQANCHMSA-N 444.234 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267517552 VFLYTPHMFXVXQJ-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cnn(Cc3ccccc3)c2)n1 2267524597 SDCQZLGVORNSJT-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267701163 WFUAPGYIECLYHX-QKFKETGDSA-N 444.337 2.431 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268640961 KHMPZGHGOYBILN-SFHVURJKSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268656263 VCHWHPQCNAVEGH-GOSISDBHSA-N 446.353 2.238 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271389934 VEOOZPKITPGUAQ-GOEBONIOSA-N 448.373 2.237 30 10 IEEE CN(C)c1cc(C[C@H]2CN(Cc3ccccc3)CCN(c3nccc(C#N)n3)C2)ncn1 2296587820 QRQURKUAGLBGTB-FQEVSTJZSA-N 428.544 2.385 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2320449511 INHPLQBFNXXRRB-SFHVURJKSA-N 426.322 2.078 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CN=c3cc(B4OC(C)(C)C(C)(C)O4)c(F)c[nH]3)[C@H]2C1 2322296563 FDQMXWOOHOLIPS-QKDCVEJESA-N 433.333 2.467 30 10 IEEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc(O)c2CN1CCN(CCO)CC1 2324194328 WPOPCSYIKGHQDK-UHFFFAOYSA-N 425.441 2.027 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)nn1 2342480596 CUOBRBOWRRXCRA-NRFANRHFSA-N 449.361 2.388 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2F)n1)Nc1ccc2c(c1)C(=O)NC2=O 21077436 OWLDMFRETBHMAR-ODCIPOBUSA-N 439.432 2.004 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)c1 21560303 GXUFTISRAPMHLH-UHFFFAOYSA-N 431.495 2.477 30 10 IEEE CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)n1 462607765 ROVIRVHEAYBZLB-CYBMUJFWSA-N 439.925 2.199 30 10 IEEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 475767360 AMATVZPGHOZPRM-RDTXWAMCSA-N 438.406 2.002 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccccc1C 477639696 XJHZVDYVTVSZBY-UHFFFAOYSA-N 439.562 2.307 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CC(=O)N2C(C)(C)C)cn1 480073270 WFLLHTBQIVYDMW-QZNHQXDQSA-N 448.571 2.345 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN(CC(F)F)[C@@H](CC)C2)c(C#N)cn1CCOC 481344064 LBGFJGVNRJVPCY-HNNXBMFYSA-N 441.479 2.376 30 10 IEEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)Cc1nnc(C2CCC2)n1C 507539992 XJHARBUKDIZTON-UHFFFAOYSA-N 428.518 2.413 30 10 IEEE C=CCn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508882088 USKFVVRUXYGPIR-XMMPIXPASA-N 447.543 2.358 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 514753042 BVTMHXBHTKCXFL-VGOFRKELSA-N 448.589 2.224 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 537648897 XSZICKOPIUHEPY-UHFFFAOYSA-N 445.932 2.374 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 543034321 ITKFAFSKDMXGSN-QGZVFWFLSA-N 448.870 2.258 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)ccc1C 579793348 YMBCJMGQDIHXJD-UHFFFAOYSA-N 447.560 2.303 30 10 IEEE CC(C)CNC(=O)c1cccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 608975398 ZQRFBZMUZLJKJY-UHFFFAOYSA-N 440.569 2.451 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@@H](C)O1 609229868 WRWRSDRJDPZQOD-GASCZTMLSA-N 431.489 2.425 30 10 IEEE Cc1ccc(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1S(=O)(=O)NCC#N 610304373 WZFBCYQPATWBGQ-LJQANCHMSA-N 437.525 2.244 30 10 IEEE C#CCN(C(=O)c1nn(CCCCCC)c(=O)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 729330611 GKGDEVOEOMXZDW-QGZVFWFLSA-N 429.542 2.239 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cnn3ccccc23)c1=O 729668599 AJXIVVAKGPZOHK-UHFFFAOYSA-N 438.553 2.102 30 10 IEEE C[C@@H]1CCCN(Cc2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C1 732443899 FPMSVYOFHWVHEP-BFQBXFRASA-N 425.533 2.244 30 10 IEEE N#C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccc(Br)cc1 733254635 ZPRWOWIVZVBPLK-IRXDYDNUSA-N 426.274 2.250 30 10 IEEE CCN(C(=O)c1ccc(C#N)nc1)S(=O)(=O)c1ccc(I)cc1 734713494 ZDADQAVLFDUFGI-UHFFFAOYSA-N 441.250 2.409 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1 741711866 PAVKESMHUINISV-XLIONFOSSA-N 431.583 2.473 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(Nc3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742397963 OHWJJVSUMMRSBP-UHFFFAOYSA-N 448.570 2.080 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1 749201099 WKVHCVWOCXZDTE-XFUTXVRSSA-N 429.473 2.002 30 10 IEEE COc1cc([C@H](C#N)NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(OC)c1OC 750575495 UXBPWYCFKMGJJP-JEJOPICUSA-N 445.497 2.478 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1C#N 752304501 HHNRGFYIQYPAFG-SFHVURJKSA-N 430.509 2.191 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758580027 LZXLFKFYYJQFEL-IKGGRYGDSA-N 429.521 2.332 30 10 IEEE CCS(=O)(=O)c1ccc(CCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760391428 WXTZMARJWBXCSR-UHFFFAOYSA-N 426.560 2.333 30 10 IEEE COc1ccc(-c2nnc(S)n2CC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 764430767 PGALMUDECRMQNF-UHFFFAOYSA-N 432.469 2.333 30 10 IEEE C=C(C)C[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 767700838 UEFAJDZCAUXMNY-DLBZAZTESA-N 438.546 2.488 30 10 IEEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 770858335 NAHPLGWSGOBQNY-LJQANCHMSA-N 438.446 2.214 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ncccc2S(C)(=O)=O)C1=O 782830917 AASUPGJEJYWNIM-INIZCTEOSA-N 446.554 2.061 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)[C@@H]1CCCO1 788829621 SNUYBCPGNXGRCI-YRPNKDGESA-N 441.528 2.150 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 800038999 NBURHPBJCHQYNN-ZWKOTPCHSA-N 444.598 2.205 30 10 IEEE CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918608187 GREWRKZLFUXZMP-MXVUGKIDSA-N 440.591 2.086 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)s1 1084635102 MRAKBRMSLRYEQW-UHFFFAOYSA-N 434.507 2.110 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CCCN1C(=O)OC(C)(C)C 1126589489 QCTMQPUASSXBOT-OAQYLSRUSA-N 426.477 2.402 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC 1127754286 VMNMLYLYURRBMQ-KEYYUXOJSA-N 435.477 2.075 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2nc(C3CC3)n[nH]2)CC1 1136704209 OSWAZCKWVPKLNI-INIZCTEOSA-N 429.322 2.396 30 10 IEEE C#CC[C@]1(C(=O)NCc2c(C)nc3cc(O)nn3c2C)CCCN1C(=O)OC(C)(C)C 1146299818 LTGAHJVMDHMBOF-JOCHJYFZSA-N 427.505 2.461 30 10 IEEE C=CC[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccncc1 1147007455 UVJVHOQSNVHYNY-GOSISDBHSA-N 431.514 2.345 30 10 IEEE N#CCCn1cc(C(=O)N2C[C@@H](O)CC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1152952593 HTNJJSBQGGVDNH-SFHVURJKSA-N 439.472 2.376 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1154040136 BXCNOQYRDGYZMX-UHFFFAOYSA-N 447.557 2.333 30 10 IEEE CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807398 NWEPNLAGJSMPQS-HLTSFMKQSA-N 446.360 2.190 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C(C)C)s1 1180543128 KJMCEZPFOFBDLT-SJLPKXTDSA-N 425.620 2.476 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCc2sc(S(N)(=O)=O)cc2C1 1196292966 DFMDWBWMQMDQDR-SNVBAGLBSA-N 436.584 2.203 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@H]3CCC(F)(F)C3)CC2)cc1 1251517191 OSYHJPMRAYTCRX-OAHLLOKOSA-N 426.489 2.400 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCS(=O)(=O)CC1 1286279064 JOMCIXCAFUWGHV-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286387087 NTNLWNZWLJUTLQ-ZWKOTPCHSA-N 445.564 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CC1(OCCOC)CCOCC1 1286405689 HIOHBRXGHPMVER-UHFFFAOYSA-N 426.492 2.369 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccnc1OC 1286467203 NQILXEBEPMEJAU-HXUWFJFHSA-N 435.484 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCC[C@H](C)C2)CC1 1286489801 CAYSHUIJYGVXCF-IBGZPJMESA-N 449.603 2.346 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286612486 VFRQJCXZIDOWGT-WOJBJXKFSA-N 446.596 2.347 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1286780628 GSAAKUYAEQUVHS-GOSISDBHSA-N 436.564 2.064 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnccc2OC)C1 1286814157 LWDCDPFXIXPIDW-QRFRQXIXSA-N 429.521 2.235 30 10 IEEE CC[C@@H](Cc1ccccc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289435810 DTSUMWLKNFBPLJ-DHSIGJKJSA-N 425.348 2.415 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H](C)O1 1291223870 NXEMGROPTOSLNX-MDZRGWNJSA-N 429.546 2.398 30 10 IEEE CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 1294301202 AHRLOARLEQWKFF-PBHICJAKSA-N 431.518 2.485 30 10 IEEE CO[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)CCOC1 1299794108 BBLVBZVMDADGHZ-QVKFZJNVSA-N 446.939 2.263 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1300273329 QFQPNNAFKFWRGY-KGLIPLIRSA-N 431.518 2.149 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1300490656 AQSQLYAODFSYRS-DLBZAZTESA-N 431.587 2.028 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2(O)CCC2)CC1 1300688749 LISHBXORMAPEQO-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](F)COC)CC1 1300691018 MKOSDTOKHKAFNX-SFHVURJKSA-N 431.512 2.092 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1300693044 QMPOUWOVDOTJDI-UHFFFAOYSA-N 445.571 2.363 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CCOCC2)CC1 1300710234 XRODEKVEAWWMSK-UHFFFAOYSA-N 441.601 2.176 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2ccccc2)CC1 1300710743 JUDSLQMRYOFBPF-ONTIZHBOSA-N 439.560 2.225 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@@](C)=O)CCC2)CC1 1300711142 SXFKTJJWFKSFNZ-GXCZYJTRSA-N 447.649 2.253 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300852871 FARQNCFITCYXIJ-QGZVFWFLSA-N 437.367 2.401 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1300900205 ADCWTCFJUOXVLM-JOCHJYFZSA-N 438.536 2.357 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1300974120 DRVNJOKCOYSQEE-ZACQAIPSSA-N 436.557 2.465 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1301425110 CXDURHZCUBZALL-SFHVURJKSA-N 437.548 2.070 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2ccnc21 1301799278 BQDAILHKJKAGKL-QGZVFWFLSA-N 449.519 2.066 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1302013098 ARSPILNMPNDVLC-UHFFFAOYSA-N 449.559 2.086 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1302487962 MOCPNOSJXJZFQC-KBXCAEBGSA-N 437.342 2.182 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1302979447 QIAWXFPXALNEIZ-MAUKXSAKSA-N 441.433 2.368 30 10 IEEE Cc1cc2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)[C@@H](C)CC#N)ccc2[nH]1 1304257753 CVZYKHFFGOWQDL-GJZGRUSLSA-N 429.550 2.465 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccco1 1305782866 FTORJLMPYJCVQC-UHFFFAOYSA-N 448.531 2.431 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1305783063 SHTIDMOPKNLNCH-HUUCEWRRSA-N 437.493 2.060 30 10 IEEE C#CC1(F)CN(C(=O)NCc2cccc(-n3cc(CNC(=O)OC(C)(C)C)nn3)c2)C1 1313087601 GNSOPTOXZSCPLV-UHFFFAOYSA-N 428.468 2.159 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1316039577 VUTFMPNYDJLAMV-UHFFFAOYSA-N 436.520 2.257 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1316099050 PEIAEXCHEMAVDX-MRXNPFEDSA-N 447.337 2.353 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358964626 CLJQTHNVZXIAJW-FXAWDEMLSA-N 436.603 2.108 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1358995006 BGKHTIBUZKUWBQ-WCWDXBQESA-N 442.523 2.167 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCOCC1 1359013214 PIXHPBTWBCNGRS-UHFFFAOYSA-N 447.587 2.480 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359026462 YUHPSJMNXGSOMT-REWPJTCUSA-N 425.533 2.078 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)cc2OC)CC1 1359043752 HENBUVUWKAWGFG-UHFFFAOYSA-N 448.527 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC(F)(F)F)CC1 1359044633 KQZXZGSWLIIPCA-INIZCTEOSA-N 443.470 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359330964 IIKSWYXECYSHDQ-FQEVSTJZSA-N 429.590 2.467 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1360798808 PSXNSFSPXHPIIA-DLBZAZTESA-N 444.923 2.154 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1442631901 HPGDUWSSSHZTEO-FQEVSTJZSA-N 431.581 2.293 30 10 IEEE Cc1nsc(N2CCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC2)c1C#N 1450537090 BWAWSSUZUYNXCH-UHFFFAOYSA-N 439.328 2.104 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)C2)nc1 1456065767 SRBHSXJOULHLSL-RTWAWAEBSA-N 449.511 2.394 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NCCc3ccccc3)C2)C1 1464179530 AGJHVPMTVSZBDY-SZTYLXMGSA-N 440.544 2.248 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC 1464514947 FQZOLBCRYOASOR-QZTJIDSGSA-N 442.578 2.383 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)c1 1465307631 INQIBGIKJJTFNM-JOCHJYFZSA-N 440.565 2.157 30 10 IEEE C=C(Br)CNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1468372563 BGCKLSPPRCAUCH-AWEZNQCLSA-N 445.358 2.148 30 10 IEEE CC(=O)NCC[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1475356455 FCPCWHTVZOZYPQ-GFCCVEGCSA-N 432.315 2.387 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1502468577 BLEZGTGEIHYQDA-RTBURBONSA-N 442.545 2.027 30 10 IEEE CCOc1ccccc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1502895942 DDBXDFLHHYJRCU-AEFFLSMTSA-N 431.562 2.417 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1504016399 HGASGCUJUMHBAY-HSZRJFAPSA-N 438.532 2.071 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1504488639 CLLJGOZJPBPLEI-VQTJNVASSA-N 427.505 2.149 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1505321983 GQSJKGAGCJXVEH-CABCVRRESA-N 435.937 2.295 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507712393 XJORZRWYPWQOIB-WOJBJXKFSA-N 440.592 2.238 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1507863676 ITANQWXMEXOJSU-INIZCTEOSA-N 431.884 2.217 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](COC)OC)CC1 1507884193 FVGCVERAXFZFPH-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1508095703 RLICITTZYBMYEI-FQEVSTJZSA-N 435.532 2.277 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cccc(F)c1F 1508411040 IFIBUPBLDAPCQP-STQMWFEESA-N 426.493 2.005 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1518642970 GOZVRWIVEATKLA-IEBWSBKVSA-N 426.496 2.250 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)C2=O)cc1 1519457775 NJVWQZHTGKDFBQ-VQIMIIECSA-N 431.452 2.005 30 10 IEEE Cn1cc(I)c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n1 1522139210 OOLNOHJPRULOGM-UHFFFAOYSA-N 436.188 2.473 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3csc(I)n3)C2)nc1 1527491411 PTGFXMWQTSUGHZ-JTQLQIEISA-N 426.239 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1C 1538982367 FBNYHJVKDUWCBC-AOIWGVFYSA-N 445.589 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1539324204 QRGLOCPAZYVWKE-QHCPKHFHSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccc(C(=O)N(C)C)c1 1539327857 HIGTVKGESWYUDB-UHFFFAOYSA-N 426.524 2.477 30 10 IEEE C=CC(C)(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1539362578 DKTYMRVZVQAOAU-UHFFFAOYSA-N 434.562 2.091 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCCn1cc(Br)cn1 1539407475 DITCEYGWAZZCOD-UHFFFAOYSA-N 444.337 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCSC2)CC1 1539475730 NGSOHQDWJGOYTO-QHCPKHFHSA-N 439.585 2.087 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCC)CC1 1539586034 FCGQRXASVHUAPI-UHFFFAOYSA-N 437.342 2.013 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1539659226 PCRBYDJICVIOKM-UHFFFAOYSA-N 433.534 2.112 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539984687 AAZRGWSWSGGQNL-NRFANRHFSA-N 429.546 2.174 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCOC(C)(C)C1 1540907279 QOYKYDBJWWKXBX-UHFFFAOYSA-N 443.573 2.497 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1540929147 BOJJQBXWAJXLEW-HDICACEKSA-N 436.574 2.474 30 10 IEEE CC(C)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541372372 WSAQNIHMJFRCKS-RWNPKEDZSA-N 428.537 2.181 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1545091433 GXEOKRBXCGGPPU-CALCHBBNSA-N 439.564 2.436 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)C1)S(C)(=O)=O 1547573095 FBWGTHYWIYJMKB-INIZCTEOSA-N 448.618 2.430 30 10 IEEE CCO[C@@H](CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1547843069 FVQCARBYXJWLQF-WBVHZDCISA-N 430.509 2.186 30 10 IEEE N#CC1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1555989781 FKJOXSCXQLFSNK-INIZCTEOSA-N 427.896 2.327 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)CC1 1560096567 ZXKOHCHTUSGFPB-QFIPXVFZSA-N 444.620 2.265 30 10 IEEE COC(=O)c1cc(Br)c2c(c1)CN([C@@H](C)C(=O)NC1(C#N)CCC1)CCO2 1560236056 CVKUJNCMGAUFOT-LBPRGKRZSA-N 436.306 2.381 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 1561616268 DAWKXOBNLOXBCV-GOEBONIOSA-N 429.336 2.309 30 10 IEEE CN(CCNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1ccc(F)cc1 1564655253 ANGNEWUNEPBJQX-HXUWFJFHSA-N 446.504 2.101 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1565477145 ILTJKUYKXVWVIY-YWZLYKJASA-N 434.518 2.113 30 10 IEEE CSCC[C@@H](NC(=O)c1cccc(C#CCO)c1)C(=O)Nc1ccc2oc(O)nc2c1 1584903026 VPOCVUVUHHOFNG-QGZVFWFLSA-N 439.493 2.367 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1587738514 FEHXMCNCKOBZOR-UHFFFAOYSA-N 438.576 2.404 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1587759119 OVZCBEKLXRKDCV-INIZCTEOSA-N 442.593 2.163 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cs1)C(N)=O 1587767096 HGLGHEJZAUCKCX-QGZVFWFLSA-N 447.561 2.401 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1587878960 LTRSKMORGJLZHH-RTWAWAEBSA-N 425.581 2.100 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1588214244 NLQKCXLLENEBGI-GOSISDBHSA-N 435.553 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnn(CCOC)c1 1588233775 QLATXWAUXLRPJH-JOCHJYFZSA-N 446.511 2.145 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1588245536 IKRIJPLKDVEZGT-GOSISDBHSA-N 442.564 2.024 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)nc1 1588420575 GTXBZOSFQWZLHB-UHFFFAOYSA-N 428.500 2.378 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2c(C)coc2C)n1 1588722541 CPNWJNYWYLOWSB-UHFFFAOYSA-N 446.515 2.476 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1588813133 WAJCYYWHANIBSA-UHFFFAOYSA-N 441.601 2.337 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1588871959 TXBUWXFHDSYTKO-CYFREDJKSA-N 441.576 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccn(C)n2)CC1 1588899039 KZCPUMLPEIHXMK-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(CCOCC)CC2)CC1 1588929935 JGCMWOJSBAGXMT-FQEVSTJZSA-N 443.592 2.345 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 1589006936 KBPQTJWYRAIPCX-UHFFFAOYSA-N 442.570 2.141 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1595476082 HTNSQUCGLCPOAF-INIZCTEOSA-N 426.569 2.406 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)[C@@H]1CC 1595506761 LXHBODVRSQNWLU-HNNXBMFYSA-N 437.331 2.269 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)C1 1595707317 VMVCQOCMWDEXEC-VQTJNVASSA-N 425.581 2.147 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1596018651 JXCNIKKJQRLQPH-QGZVFWFLSA-N 433.555 2.135 30 10 IEEE CN(CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C(=O)c1ccc(Br)o1 1596978850 SXLUWMALYUSTKC-CQSZACIVSA-N 446.305 2.484 30 10 IEEE CCN(C)C(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1615090477 BWIABVBEWFKRPY-SXLOBPIMSA-N 440.548 2.224 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1615336886 HVUCSJSDLCNLHR-KRWDZBQOSA-N 425.537 2.435 30 10 IEEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2nnnc2Oc2ccccc2)c1 1616130037 OULLCENZENUZRB-MKXGPGLRSA-N 449.496 2.031 30 10 IEEE CN(C)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)c1 1617668537 ABTFWUGUQSNOIB-IBGZPJMESA-N 442.589 2.425 30 10 IEEE CN(C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1617788518 BRJASFSNVZWPLM-UHFFFAOYSA-N 432.550 2.309 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCONC(=O)OC(C)(C)C)cc1 1622886835 VJKZPVGWXSJKMT-UHFFFAOYSA-N 442.538 2.461 30 10 IEEE CCOC(=O)Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)[nH]c2ccccc12 1622979227 DHKXRKBUJLJKEM-OAHLLOKOSA-N 432.484 2.286 30 10 IEEE CC(C)OCCOC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1629776021 KXPOTBDZPNPOPO-HXUWFJFHSA-N 442.516 2.196 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cnc(I)c(O)c1 1632412282 JRCAQHLJNCXJOB-UHFFFAOYSA-N 446.208 2.405 30 10 IEEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1632980635 XDLTXDPKAORZQG-IBGZPJMESA-N 426.561 2.055 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1634585804 UYVRBWGOVKCQGV-QZMQVMSPSA-N 436.508 2.429 30 10 IEEE N#Cc1c(F)cc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1F 1634796196 JETUHBVJDMCEBM-UHFFFAOYSA-N 444.463 2.314 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)c1 1641700010 IZDMBPFQNQWLKT-DHIUTWEWSA-N 436.556 2.080 30 10 IEEE C#CC[C@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1642765467 QAEUVFMMQQKPFR-GOSISDBHSA-N 444.509 2.417 30 10 IEEE COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)cc1 1643821723 AHXDKDFZSKZKPP-UHFFFAOYSA-N 428.514 2.167 30 10 IEEE COc1ccc(CCC(=O)N2CCCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 1644492205 JTOOWBUGSPDEPF-NRFANRHFSA-N 429.561 2.233 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)[C@H]1CCCc2ccccc21 1645390027 OHEHLSGIQOBRCF-JTSKRJEESA-N 426.538 2.499 30 10 IEEE COC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C(=O)OC 1655079707 MRZNCVFQSGRMQP-OALUTQOASA-N 444.532 2.314 30 10 IEEE COCCCNC(=O)[C@H](C)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 1657273444 XQGQEBUGLHHKSV-KRWDZBQOSA-N 427.467 2.096 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 1672952276 SCWBCSHHRPIEME-UHFFFAOYSA-N 433.555 2.413 30 10 IEEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1673502638 FASNWDIWUJPCOY-UHFFFAOYSA-N 441.557 2.277 30 10 IEEE C#C[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1682357162 ULDOSKXJMBOOFE-ROUUACIJSA-N 435.546 2.084 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N(CCO)CCOCC(F)(F)F)CC2)c1 1682385062 QRARFQZLJQOGTF-UHFFFAOYSA-N 428.455 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)NCC4(C#N)CCCC4)C3)[C@@H]2C1 1683745419 XLTRWBSQSODLPW-BBWFWOEESA-N 447.536 2.294 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1684369124 GNIRPFREXMPBGD-UYAOXDASSA-N 443.548 2.461 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cccnn2)CC1 1689940386 XSQSZYKLUPNBAG-UHFFFAOYSA-N 433.516 2.396 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689992326 JJZIBCIPNTXFBT-MOPGFXCFSA-N 434.537 2.060 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(-c2ccccc2)c1 1689999624 FAGYSYGKFUBJQY-UHFFFAOYSA-N 436.479 2.232 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)CN(C)C)CC1 1690133410 FWIWSZSOVYIWOX-UHFFFAOYSA-N 428.556 2.339 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1690243511 LMQFLELENOMDKC-IEBWSBKVSA-N 430.553 2.495 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690399366 UWTZNPJPIWTEMI-AEFFLSMTSA-N 426.583 2.229 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCCC1(C)C 1690615864 VHCIKCYJNGOSKD-LJQANCHMSA-N 438.536 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690662825 FBYDJPCYASBPJQ-MRXNPFEDSA-N 443.529 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCCC)CC1 1690666844 IIIDSXKIVZFDDA-UHFFFAOYSA-N 449.559 2.252 30 10 IEEE CC(C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691370740 BZRDTEWXNVTLPO-UHFFFAOYSA-N 434.500 2.205 30 10 IEEE Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1693461620 WJABUZCTSUAKET-QURGRASLSA-N 435.532 2.350 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1694222009 CMQQKMMUBMHISJ-DLBZAZTESA-N 426.521 2.259 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS1 1694791012 FIZHAPZEGYZQFP-MSOLQXFVSA-N 426.546 2.339 30 10 IEEE CCNC(=O)C1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCC1 1695921947 ABELXIKAQRQUPA-INIZCTEOSA-N 442.495 2.031 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1696051116 CFPXQSYRKVUSED-YADHBBJMSA-N 448.543 2.021 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1696647230 NDRWIJKPOVTHBV-RUYXUALKSA-N 429.546 2.398 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F 1698061225 MZVFYXPEAVDOLP-AWEZNQCLSA-N 440.401 2.200 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705478077 WHACTQUHCFGLFD-SOLBZPMBSA-N 449.552 2.439 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H](C(C)C)N1CCOCC1 1705556555 CWKTUKJLDHNUJN-LJQANCHMSA-N 427.549 2.292 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1705562331 AAHIDRZORKNQIP-OKZBNKHCSA-N 432.546 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1705581846 MGSLISWEUQSXKI-XMMPIXPASA-N 446.599 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1705594409 BXBGHASKEATBPK-UHFFFAOYSA-N 433.537 2.418 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSCC=C)CC1 1705638408 KDZHERSUYUWSOD-UHFFFAOYSA-N 435.557 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCCCCC2)CC1 1705647430 DSVJCZXTQDTWMH-HXUWFJFHSA-N 443.592 2.223 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1705859041 FYYJIGVITOFYES-GOSISDBHSA-N 426.546 2.306 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1705906199 WTUGQZNZSKQNNY-UHFFFAOYSA-N 432.532 2.412 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CC)C1 1705922393 MEDCZGRYGNPJMD-HJPURHCSSA-N 438.532 2.134 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1706751742 SYNDSEYABDHOGN-ZOCZFRKYSA-N 444.561 2.346 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C(C)(C)C 1711578857 DBPGQCBGQNEGDX-SJLPKXTDSA-N 426.521 2.101 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1722291928 SKLDCXYTHNYFHK-LSDHHAIUSA-N 443.495 2.326 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccsc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722366445 RSYYIOLSIBAKLF-RTBURBONSA-N 435.619 2.358 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCNC(=O)c1cccc(OC)c1 1722383246 RWPKKAPDEZBTBM-UHFFFAOYSA-N 433.537 2.442 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)cc2F)CC1 1722447049 CEYLTYVURPTIAL-SFHVURJKSA-N 443.498 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1722448999 KJTQXLOJZLXMBN-XMMPIXPASA-N 439.535 2.243 30 10 IEEE C=C(Br)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1722488065 ANGSOBUHQQPBSO-UHFFFAOYSA-N 441.374 2.058 30 10 IEEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722522609 ZEKKRWPXVKZQJM-QGZVFWFLSA-N 429.525 2.153 30 10 IEEE C=CCn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1722690196 AYWFKJXMLDTIJJ-JOCHJYFZSA-N 443.552 2.022 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC(F)(F)C2)C1 1722710854 PDFGNSRZLUKDAK-RBSFLKMASA-N 433.525 2.105 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(C(C)C)C2)CCOC1 1723690155 IJNYCHJKHLLUAF-SXWKCWPCSA-N 446.596 2.168 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1729453952 YMFRHVLHEHHOCQ-ZPHPHTNESA-N 443.458 2.348 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C2CC2)N(C)C)c1 1740562290 HTNSKYPWJHCNAL-OAQYLSRUSA-N 444.543 2.132 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)N(C)C)c1 1740564323 JMZHUGQXAWYVFQ-SFHVURJKSA-N 431.544 2.270 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1([S@](C)=O)CC1 1740658658 LYOKGJFXYYJXCZ-PMERELPUSA-N 426.542 2.240 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCN(CC)CC1 1740668652 UDWOIEAYHWIJSE-UHFFFAOYSA-N 448.575 2.081 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1740669065 LDSMBTWQTOFUTO-UHFFFAOYSA-N 443.511 2.494 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2cccc(C)c2)CC1 1740689333 BBLUMHZTAFBQGF-UHFFFAOYSA-N 445.527 2.068 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnccc2OC)CC1 1740697528 HWWKUERUKJPQOO-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1740761695 YIVAODGYSBHFJP-PXNSSMCTSA-N 436.553 2.470 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1cnn(C)c1 1740763440 LILKXXFCGBYPOW-GHTZIAJQSA-N 427.553 2.142 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1740952872 PUBVOHFSCISXKV-JKSUJKDBSA-N 445.495 2.249 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1741006225 DFEXDCZOHQKCSN-MISYRCLQSA-N 448.637 2.038 30 10 IEEE C[C@@H]1CCc2sc(-c3nnc(N4CCO[C@H](C#N)C4)n3CCOCCN(C)C)cc2C1 1743012529 GEGOSGNZUPESKK-SJLPKXTDSA-N 444.605 2.438 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1745773412 XJWXLLRFLBQLKS-XMMPIXPASA-N 449.559 2.038 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1748302619 FOYRGQHEJIYYPI-GOSISDBHSA-N 438.488 2.048 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCC1 1748680626 UWHVNNZJSPCMFK-NRFANRHFSA-N 436.604 2.406 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNc1nccc(C(F)(F)F)n1 1748846278 FUKMONKLETZNKT-OAHLLOKOSA-N 433.438 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1749017205 XAKRWQNZIYANMD-ICSRJNTNSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749040266 SDWTVBOJMSTIKG-LEWJYISDSA-N 440.617 2.177 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(COC)CCC2)CC1 1749329446 MDBIVWXKHKDOGU-INIZCTEOSA-N 425.599 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccccc1 1749738187 IKOCXUBRBPDKFO-IBGZPJMESA-N 443.573 2.343 30 10 IEEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC2CCOCC2)CCO1 1750388599 QKKIJBFEEIUWKJ-NRFANRHFSA-N 425.533 2.378 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCC(F)(F)C(F)F 1751929170 DPVRBYFVUXSVSN-UHFFFAOYSA-N 427.406 2.097 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760129750 XPUGMAVQBUYWCK-LJQANCHMSA-N 428.581 2.450 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760151384 ZVCDEDATHQLLCA-UHFFFAOYSA-N 433.516 2.239 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1760208434 COMIWFVARWRQMJ-AXHZCLLHSA-N 432.528 2.330 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760440462 KLJZQQUZBPBKFI-CYBMUJFWSA-N 444.483 2.382 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1760450136 FALARCHJOCBZIW-IAGOWNOFSA-N 428.624 2.351 30 10 IEEE CC[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)OC 1764209605 CGAAJJPOSXOKJM-IRXDYDNUSA-N 432.912 2.015 30 10 IEEE CCN1CCC(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1765408817 YPTKSINNCWYERY-OFNKIYASSA-N 446.596 2.169 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C2CC2)cc1OC 1767548156 CDWOIMSVZRKEPH-VGSWGCGISA-N 427.505 2.242 30 10 IEEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N)OC 1769236372 YIDXENWHGIDCJW-GXTWGEPZSA-N 425.331 2.303 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1769845623 PWGNCLAXNFCACC-GOSISDBHSA-N 448.568 2.405 30 10 IEEE COCCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770971204 ZKYHGJJXHFJJKG-OAHLLOKOSA-N 426.521 2.380 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccsc1)N(C)C 1771305315 ZDZOAVGDMUMUDR-AITUJVMLSA-N 446.577 2.095 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 1851656469 RFSBYOOTVSNAIB-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE CN(C)C(=O)C1(N2CCCCC2)CCN(C(=O)c2cn3cc(C#N)cc(Cl)c3n2)CC1 1852165830 YBQMALDEMRTYQX-UHFFFAOYSA-N 442.951 2.408 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)C1=O 1854207699 MGUWIZWFPZLUGY-ROUUACIJSA-N 426.904 2.348 30 10 IEEE CCN(C[C@H](O)CNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(C)c1 1858025628 KQGWXTKZTHAASD-QGZVFWFLSA-N 435.933 2.322 30 10 IEEE CCOC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3ccccc3C#N)n3ccccc23)CC1 1858242679 FRVNREXMAMNUHQ-UHFFFAOYSA-N 446.467 2.373 30 10 IEEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1 1861540358 YNVUIBDGHVSVOH-RTBURBONSA-N 439.578 2.110 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(O)c1)c1cccc(O)c1 1862589454 LFNSUHKMLLWTDX-NRFANRHFSA-N 438.480 2.398 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862738313 YRGOYKCNTDNCDV-ZMZPIMSZSA-N 428.397 2.268 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CCC)nn2CC 1865222042 BEQJMCTYIUBWEB-IBGZPJMESA-N 438.528 2.318 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)CCCCN)sc2c1 1865997399 HJJTXBYGLWCHNL-HNNXBMFYSA-N 437.591 2.054 30 10 IEEE COc1ccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)c(C)o2)cc1 1866675890 QAGUHZGDVMBRSB-FQEVSTJZSA-N 434.452 2.189 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cccc(Cl)c2)cc1 1870107702 UXNUZSQXKMFIMB-UHFFFAOYSA-N 430.877 2.475 30 10 IEEE C#CCOc1cn(Cc2ccncc2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871006974 DYRNKBBFEKWTSO-UHFFFAOYSA-N 428.448 2.142 30 10 IEEE C=CCn1c(C(=O)NCc2cccnc2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873594461 VKDYKCYLILUDAX-UHFFFAOYSA-N 434.500 2.286 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1 1891069794 MYJALPSWVSZJMN-UHFFFAOYSA-N 442.458 2.113 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 1902432148 TXKUMCZISGMEHL-RTBURBONSA-N 437.558 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CO1 1964925507 STLUSNANXYWHRI-AQNXPRMDSA-N 428.533 2.153 30 10 IEEE C=CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)C(=O)OC(C)(C)C 1985007934 SASDRXFTKAUUDZ-JKSUJKDBSA-N 427.542 2.144 30 10 IEEE NCC#Cc1cc(Cl)ccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2145991026 DVTKLQDGCSYSED-UHFFFAOYSA-N 445.928 2.468 30 10 IEEE C=CCn1ncc(NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1=O 2162325516 YCRKVECOHXWGKN-UHFFFAOYSA-N 443.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248445921 TTWYMKXWPNVLKY-QWHCGFSZSA-N 437.371 2.362 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627745 XZJMRQHPWAUIRE-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2255651411 JFNTZYQJVKQLIA-ZBFHGGJFSA-N 431.342 2.332 30 10 IEEE Cc1ccnc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824176 CJQRXMCYLZAWRM-HUUCEWRRSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256621829 ZJMYEQCTFSBXFW-YOEHRIQHSA-N 432.326 2.295 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256623117 AUCDGUYTDFYDAV-LSDHHAIUSA-N 438.330 2.279 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267089419 DIBDEKVGZVQMRR-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2267120231 HFPUJWSLEPARNQ-GDBMZVCRSA-N 448.373 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167301 DKQYFNAQKUWQPK-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)n1 2267180852 JVMTZEUDULUJKB-LJQANCHMSA-N 438.381 2.361 30 10 IEEE C[C@H]1[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267183135 LLBVYSQKIFBMIQ-GOEBONIOSA-N 448.373 2.237 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1 2267503248 AMKPGHDUTDQOPZ-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267514124 UVEJVXKVUYDARL-GJZGRUSLSA-N 448.373 2.155 30 10 IEEE CN(CC1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1)C(=O)OC(C)(C)C 2267520856 OZPAMVUOZUQGRB-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267533335 QXQKYGYBSHYBMT-XLIONFOSSA-N 438.381 2.360 30 10 IEEE COc1ccc(C(C)=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC=C(C)Cl)cc1 2296160167 BIIXGMLDTPXDBP-UHFFFAOYSA-N 430.896 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300339518 FBPDWXZFEZDSDO-BETUJISGSA-N 437.371 2.475 30 10 IEEE COCC[C@@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)NC(=O)OC(C)(C)C 2322310340 DNSORYYLNFDUDV-AWEZNQCLSA-N 439.337 2.284 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2326791944 FHSOLKWNKLDWRL-OAHLLOKOSA-N 442.268 2.088 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)C=Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 2328155778 QDENIOWDCBDRTK-LPTQZCDUSA-N 449.482 2.187 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1cccc([N+](=O)[O-])c1 2328682360 KIMKPMXEMKSVPS-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C 2337323438 IDYXBSIIFNXWKG-CABCVRRESA-N 448.373 2.203 30 10 IEEE Cc1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)COC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343648817 XATMWXIFTFGWNC-UHFFFAOYSA-N 446.353 2.204 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1nc(Br)nn1CCOC 2353689259 ZXBSVQHEZVHBQI-QWHCGFSZSA-N 430.347 2.254 30 10 IEEE COc1cccc(NC(=O)CCSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1 20915252 HZNJYSBPZJLGAU-CIAFOILYSA-N 427.490 2.273 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1nn(C)c(=O)c2ccccc12 21569297 BAGVOFNXTGZFMX-OAHLLOKOSA-N 434.452 2.434 30 10 IEEE C[C@@H](c1ccccc1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24686237 APINBUMKGVAZSI-SFHVURJKSA-N 426.542 2.084 30 10 IEEE COC(=O)c1cn(Cc2cccc(C#N)c2)nc1S(=O)(=O)N1CCc2ccccc2C1 49402182 RFCISHFARFAICE-UHFFFAOYSA-N 436.493 2.337 30 10 IEEE C=C1[C@@H](O)C[C@@H]2[C@H]1C[C@@]1(COC(C)=O)CC[C@@](O)(C(C)C)[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@H]2C 59779278 AMBIXBPMZZPLEH-RITQMIIASA-N 438.561 2.219 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cccc(C)c3)o2)c1=O 101350967 JEWWDXIBBFYYFR-UHFFFAOYSA-N 427.486 2.044 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 109016094 ZOWJETCRGBCLDP-NRFANRHFSA-N 432.480 2.017 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1Br 433349880 ASAHXXNDTHLPFO-MEXZNVEISA-N 435.343 2.108 30 10 IEEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 441645461 IDLFNDXYHDCKMA-HNNXBMFYSA-N 432.546 2.115 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCCN(CCOC)C(=O)C1 460565840 ITNYGQIEEHNSQA-UHFFFAOYSA-N 438.576 2.492 30 10 IEEE CS(=O)(=O)c1cccc([C@@H](NC(=O)N2CCO[C@@H](C#N)C2)c2cc(F)ccc2F)c1 466334181 YTMSKPRWWJJNQG-HNAYVOBHSA-N 435.452 2.392 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)o1 471198545 JKGCLCZFSPINGW-UHFFFAOYSA-N 433.533 2.488 30 10 IEEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 486838085 GTHSKDPKOFOVAL-MRXNPFEDSA-N 429.567 2.198 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 492352912 FMVSQDGFCQNRRD-UHFFFAOYSA-N 447.704 2.005 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505037540 DHANVUFIVRPZQT-UHFFFAOYSA-N 434.562 2.425 30 10 IEEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1Cc1ccccc1 510136922 UIBDJFUVWCUNLJ-ROUUACIJSA-N 437.456 2.029 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc2C1=O 534185439 OLSWCBPVZDVLEJ-KNQAVFIVSA-N 433.508 2.081 30 10 IEEE CN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 536262925 JMUVMYOFFCMBBR-ONTIZHBOSA-N 431.496 2.325 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3CN3CCC[C@H]3CO)cc2C1=O 543025904 BKWMHOCJGVNOOR-FQEVSTJZSA-N 433.508 2.355 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 544851442 CKMCXVIGEQEHKM-DENIHFKCSA-N 434.544 2.074 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 554926200 JCAHSNOFQFMLBF-LJQANCHMSA-N 431.562 2.032 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 581025020 ZEXDEUDENWXLFV-GJZGRUSLSA-N 437.570 2.355 30 10 IEEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)N2CCCC2)cc1 585673641 MWAHQQWQWOLLTL-AGKNUVCWSA-N 434.452 2.266 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)c(OC)c1OC 612056509 LMKLVIFABUKFOB-UHFFFAOYSA-N 445.541 2.232 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c(F)c1 613510280 OSNXUVAIFBDCMO-UHFFFAOYSA-N 447.426 2.365 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC)c3ccccc3OCC(=O)NC)cc2C1=O 614766713 KCTZBEZIZZRKNA-LJQANCHMSA-N 435.480 2.475 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2c(C)cc(C)nc2O)cn1 726108048 DPKYFRWTGDPRFO-QGZVFWFLSA-N 442.545 2.421 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-c2noc(C(F)F)n2)cc1 726931813 QVWMPQRQUUQRNX-UHFFFAOYSA-N 433.396 2.351 30 10 IEEE N#Cc1cccnc1NCCOC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 732503251 VLODMVPBYCZRSI-UHFFFAOYSA-N 443.257 2.357 30 10 IEEE COC(=O)[C@@H](OC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)c1ccc(C#N)cc1 740243538 AEFFHXQAXGZJCJ-FQEVSTJZSA-N 434.408 2.290 30 10 IEEE N#C[C@H](C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(-c2c(F)cccc2F)cs1 744073269 CEJNQDVXJFGBDV-TYYIWGMVSA-N 443.431 2.427 30 10 IEEE Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 746207630 CZFUCEVOVDLOBJ-FMQUCBEESA-N 428.514 2.039 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)ccc1OC 746262103 QXRFELINTYIUBE-OAHLLOKOSA-N 434.518 2.321 30 10 IEEE Cc1cc(Br)cn2cc(CCNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nc12 754265548 DVQXOQXASFHHQP-KRWDZBQOSA-N 431.338 2.330 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@]2(C)CCCO2)C1=O 756072826 XDCOIORKRQHWLN-DYESRHJHSA-N 436.553 2.394 30 10 IEEE CN(C)CC#CCNC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757479416 LDAWUVDQKXBOPA-QFIPXVFZSA-N 449.507 2.050 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)CC2 758524261 ZIXHSBXRISJGQF-CQSZACIVSA-N 438.431 2.427 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F 763768037 UGMFJOAABDJWKE-UHFFFAOYSA-N 436.375 2.388 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1cccnn1 766416792 QONHGWMXUYVVJB-KRWDZBQOSA-N 444.480 2.299 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 774704580 QBAUNKIEYVTQHT-PMACEKPBSA-N 433.597 2.153 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CCCC1 779314852 AQKKOSRYHADSDU-QGZVFWFLSA-N 435.521 2.137 30 10 IEEE C#CCN(C(=O)NCCC1CS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 786845669 XGHQCCOHUGVSTP-MRXNPFEDSA-N 441.347 2.352 30 10 IEEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1cc(I)ccc1Cl 789522623 PEALZMSSKCPHNM-UHFFFAOYSA-N 449.657 2.273 30 10 IEEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2cn(CC)c(C)n2)CCCN1C(=O)OC(C)(C)C 791855552 NZJFWPVYMLYFPE-IBGZPJMESA-N 426.539 2.362 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccccc2C#N)CC1 806465608 XWSCRSHMGYHWLN-GOSISDBHSA-N 444.532 2.443 30 10 IEEE C#C[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 810099155 GAZRKYIXEIFITQ-SFHVURJKSA-N 444.937 2.394 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)n1 856673535 BZEOORFOKRPXSL-AOMKIAJQSA-N 429.496 2.476 30 10 IEEE CCOc1cc(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)ccc1O 1084473451 AAJBSQHXMBTDHP-UHFFFAOYSA-N 434.507 2.246 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](C(F)(F)F)CC2)CC1 1175875446 XCANWFRFKYKBSV-QZTJIDSGSA-N 428.430 2.188 30 10 IEEE CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)COc1cccc(Br)c1C#N 1278735691 HWPGMHCZQAGCCZ-MRXNPFEDSA-N 432.274 2.385 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286343097 UHOPCPXEAVSOHJ-GOSISDBHSA-N 441.532 2.084 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286394111 NGXUJOGZOVOWSW-IXDOHACOSA-N 440.635 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CCc2ccccc2)C1 1286416207 XNMKXUJSGANYCA-QHCPKHFHSA-N 446.599 2.444 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286495520 YGUYLZHYSJQZQY-UHFFFAOYSA-N 441.605 2.302 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286546427 JGMXTHGXXQDLNY-XSLAGTTESA-N 425.599 2.243 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286700492 NXGGYEDBRMIWBV-QGZVFWFLSA-N 449.602 2.170 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286700831 NUWSBYCHGLOFND-GOSISDBHSA-N 426.521 2.368 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCCCC2)CC1 1286789206 CDMQGYQIJLYKCT-UHFFFAOYSA-N 443.621 2.391 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1286795691 DNVZVYZXFYJOJW-UHFFFAOYSA-N 438.576 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COCC)C1 1286816360 JXATUMNTIFJQEV-OAHLLOKOSA-N 439.969 2.457 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1290047464 XSWJPLITSBSKNG-GBXCKJPGSA-N 440.544 2.228 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(CC(C)C)C2)n1 1290645894 DISJJEKDQQXGPQ-RTWAWAEBSA-N 440.596 2.237 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccnc2OCC(F)(F)F)s1 1290826009 JHMHLGPROMKYCJ-UHFFFAOYSA-N 449.476 2.407 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c1 1295219135 ZMDVTXPWCXFNGR-FQEVSTJZSA-N 436.493 2.317 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)c2cccc(C#CCO)c2)CC1 1298275190 PIFVIXHWMBIDFU-SFHVURJKSA-N 440.565 2.389 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300345487 YNBNWEIPWDXHIB-KDURUIRLSA-N 432.546 2.002 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300496088 NXBRHCHVGIBFHY-YLJYHZDGSA-N 436.603 2.073 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1300658561 FRNDKSUVIPFSEG-SFHVURJKSA-N 449.515 2.104 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)[C@@H]1CC 1300832101 CZEFUUWGCBODPB-AWEZNQCLSA-N 435.282 2.477 30 10 IEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301207417 VUZFMQMDLHOHNX-OAHLLOKOSA-N 437.342 2.343 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1301248189 BYAPUECNBKRSNP-UHFFFAOYSA-N 429.525 2.242 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1301259296 GUFMOSZZUBEAAU-UHFFFAOYSA-N 437.548 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1301585252 JILPDCFFUTVBEY-GOSISDBHSA-N 443.573 2.246 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)c2ccc(N3CCOCC3)cc2)c1 1301632677 YOPOPCAYPAQOAE-UHFFFAOYSA-N 427.526 2.101 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1 1301866204 AOQMZQTWCBNHMM-PGRDOPGGSA-N 425.554 2.239 30 10 IEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)no1 1306018209 UTKGTXODVBTFFZ-UHFFFAOYSA-N 436.520 2.356 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1312054649 MRKRAOUPYWDWCU-QGZVFWFLSA-N 435.546 2.054 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)CC2)c1 1312944667 GFEPOOUMONQWPJ-JOCHJYFZSA-N 425.577 2.276 30 10 IEEE CN(C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1314669516 ATFAIKFXZGELGL-QGZVFWFLSA-N 440.321 2.056 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1316213088 YRQLUHQBBFODBY-DOMZBBRYSA-N 429.399 2.283 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1F 1316492827 ZQOJNGOYUGKYJL-BEFAXECRSA-N 447.536 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1358876210 FAFHJKIDPDWEOS-VLIAUNLRSA-N 448.365 2.241 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1358898943 DBJUIWFZDUTVIP-SJORKVTESA-N 433.553 2.350 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358966201 JTXIILCJZUQHBS-LRXVAGHRSA-N 434.606 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCn1cc([C@@H]2CCOC2)cn1 1358980150 LRJBANFFHBATEJ-OAQYLSRUSA-N 444.539 2.351 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC(F)(F)F)CC1 1359174151 WXUQUUZDXPBOTE-LBPRGKRZSA-N 425.477 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359329134 ZRYUDLCYYXMVMF-OXJNMPFZSA-N 441.557 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1359333597 CSSQLJSADJYXRJ-FQEVSTJZSA-N 445.589 2.260 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 1436641462 PQVNEULDJFNDSH-UHFFFAOYSA-N 445.273 2.212 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)cc1 1437478882 JULXNZFGCNXMSH-RDJZCZTQSA-N 439.434 2.481 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)c3nc(N(C)C)ncc3Br)c2C#N)C1 1437999916 LAJHGIWCNSZFTQ-UHFFFAOYSA-N 449.334 2.395 30 10 IEEE CCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1snc(C)c1C#N 1439481005 ZRPMYYWRQDYSSM-UHFFFAOYSA-N 448.526 2.171 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)n1 1448853573 CBPIDLMPIVEXBJ-UHFFFAOYSA-N 437.349 2.413 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)s1 1453876074 GYKAAVLKOCHXDY-IBGZPJMESA-N 443.591 2.271 30 10 IEEE CSc1nc(O)c(C(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1C#N 1462435074 FHEMPLINYXASDQ-UHFFFAOYSA-N 442.451 2.497 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 1462867977 HPQWVMRQBGDOSW-UHFFFAOYSA-N 436.262 2.358 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1470582312 PMNPYTVTCQNHPW-ICSRJNTNSA-N 444.557 2.232 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(Br)cc1 1470663725 QXCFEBSTGQXNSU-MSOLQXFVSA-N 433.350 2.071 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCCC2)c1 1505121311 GKGUZGBATWRVLD-OAQYLSRUSA-N 446.552 2.276 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507595750 WNWLWUGNYYALMU-SJORKVTESA-N 425.489 2.214 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1507630385 XWXOBUYOZXROQZ-LJQANCHMSA-N 439.516 2.463 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631187 BTTNYKIABJRVJZ-ZWKOTPCHSA-N 446.598 2.201 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](CCC)OC)CC1 1507722708 FZFXMUNGKVFCKG-LJQANCHMSA-N 425.533 2.287 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1507796318 OGGPGZQKGJIMMT-PZJWPPBQSA-N 425.533 2.221 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1507796627 MYOGBVGCFOGYML-OALUTQOASA-N 427.530 2.033 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507840811 SNSSXFARNCOLGQ-GOSISDBHSA-N 448.593 2.041 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)C)CC1 1508074830 NRORJLPMJXBTTN-KRWDZBQOSA-N 430.528 2.390 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1508090439 IDQAQTANHDZYSX-UHFFFAOYSA-N 440.548 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)OC[C@@H]1C 1508134126 BILMPKARMYEPHA-HNNXBMFYSA-N 449.533 2.458 30 10 IEEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1518757936 DHKGFJBBISNRLG-INIZCTEOSA-N 439.495 2.307 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(-c3ccccn3)nc2)c1 1518825695 JHVVAHHTZVRYMN-UHFFFAOYSA-N 427.464 2.026 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)COC)CC1 1519242544 MXYMWQLTSNCQKH-KRWDZBQOSA-N 440.548 2.078 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCn4ncc(Cl)c43)CC2)cc1 1532492243 NXAISGSATQZBNP-UHFFFAOYSA-N 433.921 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)c1 1539334249 YFEVCEFWGTTZOU-UHFFFAOYSA-N 435.557 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(O)c2)CC1 1539475325 BUJVETRYOPOACM-UHFFFAOYSA-N 446.511 2.068 30 10 IEEE Cc1cnc2c(c1)N(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCN2C 1539845101 ZDJXNPNHIMRNBE-UHFFFAOYSA-N 439.541 2.145 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1540875470 NDNFEGOOIWVBDH-QFIPXVFZSA-N 429.496 2.305 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1541095221 DEBDNIBNMYLGCP-FQEVSTJZSA-N 440.548 2.410 30 10 IEEE CC(C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541371492 ZZYRIYPWMIJZAS-KDDVOAFDSA-N 426.477 2.099 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](F)COC)C2)CC1 1547723273 GBQWTLRGDZXBEM-LEWJYISDSA-N 441.555 2.017 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)SC)CC1 1547764261 HSYJNQGCYCXGAG-UHFFFAOYSA-N 441.605 2.216 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1554429345 KFQSEVYOMGIHNO-RBUKOAKNSA-N 438.532 2.118 30 10 IEEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)(F)F)C[C@H]21 1555758035 MBSSADGWGSSDNS-GVDBMIGSSA-N 448.449 2.214 30 10 IEEE C=CC1(CC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CN(C(=O)OC(C)(C)C)C1 1556764569 RPZGSUSKCUGWCM-UHFFFAOYSA-N 428.533 2.370 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 1557103169 DJTIZKZZVVUYNI-IRLDBZIGSA-N 425.554 2.497 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1558403367 YBMBJFNXJLQTBC-KUHUBIRLSA-N 426.498 2.205 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)CC2=O)cc1Cl 1565827392 GERQHZOSKHESMM-LLVKDONJSA-N 438.797 2.217 30 10 IEEE COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1OC 1583811565 HIRLTXCUXIRAIF-GOSISDBHSA-N 429.429 2.306 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1587697384 PLYMQAXJBLGXHN-UHFFFAOYSA-N 425.512 2.178 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNC(=O)C1CCC1 1588139601 PZUWNUUDPYAZPB-NRFANRHFSA-N 433.512 2.170 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1588267004 ZSLDILDIFFKSDK-GOSISDBHSA-N 442.539 2.181 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1593690679 NATRLXBLODYRTE-QFIPXVFZSA-N 431.512 2.246 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CC(N)=O)C1 1593757925 QXIUHAZHUKEVJT-GOSISDBHSA-N 437.548 2.201 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1594568656 WUDQOTIYKXPIHC-MOPGFXCFSA-N 439.564 2.439 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1594752674 OKPBXQBILDSFTA-UHFFFAOYSA-N 436.516 2.099 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1594857479 JYLPVIPSTQPLTO-HNNXBMFYSA-N 446.577 2.297 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C)C1CC1 1595033597 MEYGJSJSGOJTKD-UHFFFAOYSA-N 431.562 2.276 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1595200785 PYYKFCIJBOOHDS-UHFFFAOYSA-N 426.546 2.352 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1595551575 RXQNSYNQYMITEJ-UONOGXRCSA-N 437.953 2.377 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)C1 1595714124 KJFHIVVFYXISST-CVEARBPZSA-N 448.474 2.098 30 10 IEEE CC(C)N1CCN(CCCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 1596359433 SBAVCDPWCZZEND-FLFQWRMESA-N 449.621 2.244 30 10 IEEE CCOC(=O)c1c(NC(=O)c2nc(N(C)C)ncc2Br)c(C#N)cn1CC 1597857580 UNHQOCDCQRVCPB-UHFFFAOYSA-N 435.282 2.427 30 10 IEEE Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)C2)n1 1612472903 CGEDVUREQWVCNK-HXUWFJFHSA-N 447.547 2.391 30 10 IEEE COc1ccc(Br)cc1Cc1nnnn1CC(=O)NCc1ccc(C#N)cc1 1613581137 AZQAHQZDDONDBN-UHFFFAOYSA-N 441.289 2.223 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(CC)CC)CC1 1615957179 FWBIRTQSMASUNA-GOSISDBHSA-N 438.580 2.399 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccco1 1617368853 CITREOBMMSHGOO-UHFFFAOYSA-N 428.518 2.376 30 10 IEEE C=CC[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccncc1 1617750032 OHYLTSDRTZBQQX-XWSJACJDSA-N 449.573 2.485 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1617800741 QTXDLAAPJPEBLK-UHFFFAOYSA-N 437.548 2.226 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 1618077568 DSNYANIZAAVHOG-GOSISDBHSA-N 439.512 2.481 30 10 IEEE C#CCN(CC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 1622497583 KYHRDBOEYHCFSU-OAHLLOKOSA-N 430.423 2.432 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](NCc2ccccc2)c2ccco2)cc1 1623719689 CGUANCNDSNEDJO-HXUWFJFHSA-N 438.509 2.077 30 10 IEEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)c(Cl)c1 1628397146 XIBYMFYBZUWBLT-HZPDHXFCSA-N 437.258 2.487 30 10 IEEE C#CC1(O)CCN(C(=O)[C@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)CC1 1633559988 RVGRKTCTZFTQEO-QGZVFWFLSA-N 430.501 2.357 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1634107327 CFVGFOPZPVLAHN-OJLPUSQMSA-N 449.552 2.444 30 10 IEEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)CCCC(=O)Nc1ccccc1C#N)C2 1640156816 CWQXAPMIKJDMOA-SBUREZEXSA-N 427.501 2.484 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CCO1 1641742349 AREYSEPNSOXAIA-HSZRJFAPSA-N 440.500 2.252 30 10 IEEE CCOC(=O)[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCOC1 1642685217 OULSQIJCQKFLDK-QFBILLFUSA-N 426.435 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@@H](CO)OC(C)(C)C1 1643159984 DVSXLXPZDUJAPE-PKOBYXMFSA-N 429.517 2.391 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 1643681145 PSNJTPTXGQPEJX-DHIUTWEWSA-N 425.554 2.307 30 10 IEEE CCCOc1ccc(-c2nc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)cc1 1648028902 RBDUGTPZGDIHCO-UHFFFAOYSA-N 437.481 2.430 30 10 IEEE CCOC(=O)[C@H](CC=C(C)C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1650654416 ZYXVKSGAASZADU-MSOLQXFVSA-N 426.473 2.167 30 10 IEEE CS(=O)(=O)N1CC(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)C1 1651717816 CWTKKEXJZURUGI-UHFFFAOYSA-N 426.523 2.241 30 10 IEEE C#CC1(O)CCN(c2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1 1652267422 OOMNVHQDUGXHPH-UHFFFAOYSA-N 426.454 2.146 30 10 IEEE C#CC(C)(C)N(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1654133888 SMHNTHZBSKJTRK-GZTJUZNOSA-N 445.566 2.076 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1 1656283386 BWEBAJQYXFXNLP-SFHVURJKSA-N 448.575 2.405 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)nn1 1673802904 ZELIQDWESLFLSG-LNLFQRSKSA-N 448.568 2.458 30 10 IEEE CCCNC(=O)Cc1csc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1680050475 FDJXNCJZCBEADF-KRWDZBQOSA-N 440.529 2.401 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccc(Br)cn1 1682665722 XIBDNLRQDVNHJN-UHFFFAOYSA-N 430.306 2.330 30 10 IEEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1683467064 MTCKALOBSRRRQI-KRWDZBQOSA-N 436.331 2.401 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690188948 QUJGGRONKFCWNJ-QYZOEREBSA-N 449.621 2.062 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1690372591 RPRHYUFBHLXEQO-ZDUSSCGKSA-N 436.442 2.307 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1690508892 RZZYVXOCWXTXQN-GOSISDBHSA-N 439.568 2.222 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1690600975 MEPKRXVCRLQHRW-UHFFFAOYSA-N 436.560 2.464 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1690603599 FKHUHKISAMNXOI-OAQYLSRUSA-N 439.560 2.266 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1Cc2ccc(Br)cc2C1 1690668628 CFOQBFZYZRAUAZ-UHFFFAOYSA-N 440.305 2.320 30 10 IEEE COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1697991654 AUVISKNJEZAXIX-UHFFFAOYSA-N 446.515 2.160 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 1705523624 UNVLAKMFVLLYRV-UHFFFAOYSA-N 439.564 2.133 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)CN1CCN(CC)CC1 1705555115 YVBINGUHZHKHKH-SFHVURJKSA-N 430.547 2.490 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705662454 ZGAIUJZXNPSDCW-IAGOWNOFSA-N 435.594 2.499 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1705668333 JCAAWFGHUFRQKT-HRAATJIYSA-N 449.552 2.441 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1705715980 VULSZJXTYSISDI-AEFFLSMTSA-N 428.512 2.115 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2occc2C)CC1 1705780082 FFEAJSQGWHJSMY-QGZVFWFLSA-N 426.521 2.353 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1705950344 YFBRVYVMYSNWFY-ROUUACIJSA-N 445.593 2.038 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2ncccc2c1 1706069787 HPIKWMNPLKOWMP-GJZGRUSLSA-N 427.534 2.081 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOCC(F)F)n1 1707601373 MQRAQSQQOPSGDL-QGZVFWFLSA-N 431.491 2.497 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)cc1 1708908513 HKKWFLHYUDJOHG-JPYJTQIMSA-N 440.523 2.444 30 10 IEEE COC[C@@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712181016 RWCMPZBMOKQJLM-ICSRJNTNSA-N 442.539 2.233 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1712529990 FFFLQMYKSKPQPX-IERDGZPVSA-N 436.532 2.093 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 1722274717 XIPMIWOFHQAECA-CQSZACIVSA-N 436.438 2.356 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)c1 1722310382 VFEZPDQKHDVABA-UHFFFAOYSA-N 449.603 2.238 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)SC 1722385370 GQTVKBQKSNAQSQ-NRFANRHFSA-N 436.629 2.467 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H]1C 1722405548 MSOQOOUSXKBYIO-QGZVFWFLSA-N 443.621 2.490 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722695003 OUXVQAXAEYKAHE-SJLPKXTDSA-N 436.516 2.036 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC)C1 1722752231 ZJHFJQNCVUEECS-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)C1CCC1 1723308367 QYSHCRBITRLCGW-UHFFFAOYSA-N 437.548 2.318 30 10 IEEE CCCOCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1728239333 KOWFILTVGDSFRM-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE CN(CCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1729518255 CLVFDHLDJRTGRD-INIZCTEOSA-N 427.509 2.326 30 10 IEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)Br)CC1=O 1729598470 LJULVENHFQDAMU-UHFFFAOYSA-N 425.237 2.083 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1740594856 DGZCTWZGRUSJKR-UHFFFAOYSA-N 425.533 2.358 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1740628239 WSFKXKMQAVNXIL-MRXNPFEDSA-N 433.578 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740634878 HPSBVTCREIWSNU-HSZRJFAPSA-N 426.524 2.314 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1740638043 HHZSUNRFJNKHKG-VWLOTQADSA-N 444.539 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN(C)CC(F)(F)F 1740642209 MAAGLYRLSRXJLK-UHFFFAOYSA-N 429.450 2.084 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)(C)COC)CC1 1740689994 MCLXTSFZAPMLLC-UHFFFAOYSA-N 439.564 2.133 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740709795 LRAQFUNRSIPFDF-IBGZPJMESA-N 430.622 2.193 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CC)C1 1740715760 NCJRLXDUPYQQAT-INIZCTEOSA-N 448.618 2.220 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740801525 BSTVWLDJSGMVKL-MRXNPFEDSA-N 449.939 2.423 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740863757 FMEYQDILOFPDDO-QGZVFWFLSA-N 425.599 2.437 30 10 IEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1740884858 OWFOTHKZJDEGJV-HNNXBMFYSA-N 438.488 2.186 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1740959454 WEHRRNLVJPKEIL-SFHVURJKSA-N 439.907 2.269 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2)C1 1740982652 VPJVFFWBRSKKHV-MJGOQNOKSA-N 434.537 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCOC2(CCC2)C1 1740994279 MERNCFXWKUDYCS-UHFFFAOYSA-N 430.574 2.423 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1746148208 CKKIWNYQJDJOBQ-YKSBVNFPSA-N 437.592 2.051 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCN2CCOC[C@@H]2C)c1 1748692698 LOLNVPMZBOZANG-SFHVURJKSA-N 447.543 2.050 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748772248 ROHNWNMAQJXEAL-DEOSSOPVSA-N 439.560 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC2CCCC2)nc1 1748825544 YZISYQWXIFDEJV-UHFFFAOYSA-N 432.528 2.352 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCN1CCN(Cc2ccccc2)CC1 1748838949 JELFCCAQFYZYBA-UHFFFAOYSA-N 441.583 2.174 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCNc1nccc(C(F)(F)F)n1 1748958727 HPOHKZJTKAYMHC-UHFFFAOYSA-N 446.437 2.347 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(OC)cc2)CC1 1748991111 QPVCGEWUJJVCEZ-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749046537 AELXSDYCPXZSSC-OAQYLSRUSA-N 431.537 2.325 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749114486 DCWDHTQDBZQLDV-JKSUJKDBSA-N 437.342 2.449 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1749635251 XFFJAVRCXBLAEI-UHFFFAOYSA-N 438.557 2.102 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)nc2)C1 1749697935 ORHKJWUTYWXGEU-WMZHIEFXSA-N 442.564 2.221 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1749700203 HKGBIYKHEQAUQZ-JOCHJYFZSA-N 436.560 2.445 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCN(C(C)C)CC2)C1 1749714723 LFOYDHZGVBLODK-OAQYLSRUSA-N 440.592 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCSCC(F)(F)F)C1 1749716831 COMZJLXVSJEBTF-AWEZNQCLSA-N 433.500 2.477 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749760961 SMVRYGHGGYLKDG-FQEVSTJZSA-N 445.637 2.217 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1750120799 WUROUHUKDWSBMJ-IPJJNNNSSA-N 443.573 2.378 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1750335096 RNUARZDFCDNXDJ-GOSISDBHSA-N 449.602 2.495 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1750778868 WUSZUZSTHCJMSR-YUXAGFNASA-N 435.569 2.235 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760132624 LMTIYZPYIGLCST-MSOLQXFVSA-N 444.513 2.266 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1760154961 MOUDFRGPBFNIQN-SFTDATJTSA-N 441.601 2.304 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CC 1760232036 QNXLZLRAEDAKBL-KRWDZBQOSA-N 429.594 2.182 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(OCC)CCCC2)CC1 1760257008 MVIUWGREQWNOCH-XMMPIXPASA-N 445.608 2.423 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](OC)C(C)C)CC1 1760258465 MKXKDBLMFHPLBE-NRFANRHFSA-N 425.533 2.143 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760258720 BOSWGHGAFJBSNV-SJORKVTESA-N 430.578 2.140 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)C(C)C)CC1 1760262796 AVUZJCFOPLLGIX-XMMPIXPASA-N 425.577 2.234 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760323877 GJHNJKPSFPKWKL-NBQZKYEYSA-N 430.578 2.282 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760425793 VVFAHPUQZZIDRK-RBUKOAKNSA-N 427.553 2.304 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760520437 NDXDNCBQZNULOR-KRWDZBQOSA-N 425.533 2.387 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NCCC)C1 1760541833 ANFKVZPUZUTCJX-FXAWDEMLSA-N 441.532 2.488 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761025916 HVTHUZKYFUHWNX-ZREAOVPFSA-N 441.580 2.068 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C)Cc2ccccc2C1 1761482224 GZMMEIJGJFQUFN-YCRPNKLZSA-N 446.552 2.135 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1762225434 DNUNFKLJBRFPQW-GOSISDBHSA-N 429.569 2.195 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1762989798 SOYVJKUVOGQQMZ-KTBSYUBASA-N 428.537 2.181 30 10 IEEE CCN(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1764924823 AZQBDSRYMFVEMO-RTWAWAEBSA-N 434.548 2.490 30 10 IEEE CC/C=C\Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1765347723 HSWFRAVNYSOICI-SFFCAUCYSA-N 444.561 2.085 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1768292420 AMUFRBKRWDTIFN-GOSISDBHSA-N 448.618 2.334 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1768587882 FWJKGFIWGMAABC-UHFFFAOYSA-N 441.605 2.216 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCO[C@H]1C 1769846960 NDDHSUSAZXOBFP-YCRPNKLZSA-N 435.475 2.053 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1770803259 RNUWIQLEMOAXAF-ROUUACIJSA-N 440.483 2.146 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCOCC2)CCO1 1771535968 FGBFQQXTORIZSG-IBGZPJMESA-N 442.476 2.168 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1772564343 ITSBWDGJQPQAMV-HNNXBMFYSA-N 439.582 2.202 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)C2CN(C(=O)COc3ccccc3F)C2)c1 1851946694 UIUPULINYUJBRA-UHFFFAOYSA-N 449.442 2.368 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1852591775 OBERHHMCWQUUKL-LBPRGKRZSA-N 447.467 2.145 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)cc1 1858393884 MXDFFSCACKXKKD-QGZVFWFLSA-N 430.464 2.422 30 10 IEEE C=C(C)Cc1c(C)nn(CCC(=O)NCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1C 1860305020 KGSJDXHWMZYYRL-LEWJYISDSA-N 437.588 2.406 30 10 IEEE COc1ccc(CCN2C(=O)c3ccc(C(=O)N(CCC#N)[C@H](C)C(=O)O)cc3C2=O)cc1 1866304421 KGRDXCPQLJSKOL-OAHLLOKOSA-N 449.463 2.363 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCc1ccccc1 1870520658 HSSHAKRAMIJTHJ-UHFFFAOYSA-N 439.556 2.406 30 10 IEEE COc1cccc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1OC 1874340076 AUUDGBMNFHNGFB-BFTVFPACSA-N 447.561 2.376 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874498648 BFSSCXPPAWHIOT-CNHKJKLMSA-N 449.474 2.108 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cs1 1889912840 IEPJLFJZIWLRRK-UHFFFAOYSA-N 437.518 2.277 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC(N(C)c3cc(C#N)ccn3)CC1)CS2 1890141203 UOZUYIMPNUPKRV-SFHVURJKSA-N 438.557 2.291 30 10 IEEE Cc1nc(I)c(I)n1C[C@H](C#N)NC1CC1 1936399915 QBNIWORAAMLVLR-QMMMGPOBSA-N 442.042 2.045 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060633702 QLHOUCHEDFBHGH-YNZWCRRESA-N 436.358 2.157 30 10 IEEE NC(=NO)c1cc(Br)cnc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2153992968 HTCWPSXCNRWBNU-IRXDYDNUSA-N 432.322 2.028 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212229914 FHGATFHGUPFILJ-ZSDSOXJFSA-N 427.542 2.190 30 10 IEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224081678 QQEPAZSNRAGBKE-DLBZAZTESA-N 433.358 2.499 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C 2255615868 VZHWYZJPGOVQHG-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE CCn1cc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255654654 ALGFDXKHRCBACQ-UHFFFAOYSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255698694 RVRRLESBNKAQJS-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@@H]2C1 2255836698 CUVAVQKXKLZZEP-KBPBESRZSA-N 449.382 2.285 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C#CCNC(=O)OC(C)(C)C 2256622971 NZAQRBMZGXCTPJ-UHFFFAOYSA-N 428.338 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256640410 SGDSPBWQTKRRNV-AWEZNQCLSA-N 449.382 2.316 30 10 IEEE Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256641262 USRNWGOPLNCKOE-HNNXBMFYSA-N 432.330 2.422 30 10 IEEE C[C@@H]1OC2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CC1(NC(=O)OC(C)(C)C)C2 2258961169 PGAOHFDOKURFJU-NYMDZQDESA-N 434.342 2.342 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2259148801 SEBDQUNRDSGNTC-UHFFFAOYSA-N 432.370 2.399 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC 2261065405 BCTCAXOHPUGEFW-LBPRGKRZSA-N 443.360 2.051 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2267120391 JVJNWBURGIWEFT-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267129096 XCOPYVOYBQEALQ-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267145019 BARWHDQODXEPTH-YCPHGPKFSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2267274273 XZZDQMGFLJEPEV-YJBOKZPZSA-N 443.353 2.462 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267492757 VLVFMUHVLIWZDF-GDBMZVCRSA-N 448.373 2.143 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC2(C)C)n1 2267502524 OZORBFMCFNEIHG-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267503796 JJMBOXCADXEOQN-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267533622 VMGOOQRRTZXSBP-DEOSSOPVSA-N 438.381 2.361 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2269899454 BCHDQYNRJMUPSC-MRXNPFEDSA-N 448.369 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@@H](N)C#Cc2cccc(Br)c2)C1 2278791138 WYXQVVVWBRWCQR-HOTGVXAUSA-N 443.363 2.162 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)Nc3nc(CN)cs3)cc2Cl)OC1(C)C 2282315378 MZLDDPFHSRSGFC-UHFFFAOYSA-N 435.789 2.417 30 10 IEEE C[C@@H]1CC[C@@H](C2OCCO2)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282502335 JTCBJTJWYXUGQW-HIFRSBDPSA-N 443.396 2.209 30 10 IEEE COc1cccc(C=C2Oc3cc(OCC(=O)NCCC(=O)O)ccc3C2=O)c1OC 2297474344 LZCQSVDNHPLMHK-UHFFFAOYSA-N 427.409 2.290 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298381084 ZNCKHYJUNFREBE-OAGGEKHMSA-N 442.387 2.349 30 10 IEEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1O 2329045115 DNGGQVVOABOMHA-OAHLLOKOSA-N 433.534 2.073 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc[nH]1 2330734497 BJDWBAWCMYBUES-UHFFFAOYSA-N 425.518 2.472 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2334272775 SYDLIXXQLATDPE-NXHRZFHOSA-N 443.353 2.366 30 10 IEEE CS(=O)(=O)C1(C#C[C@H](NN)c2csc(Br)c2Br)CC1 2342089804 KIVVJEDOHJRVOX-QMMMGPOBSA-N 428.171 2.358 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 2377309783 BOPPTBFFCGTKDT-CQSZACIVSA-N 444.200 2.367 30 10 IEEE N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)O)CC1 32961662 GCXMHHDPYHIVOZ-UHFFFAOYSA-N 432.477 2.360 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 59412184 ZSFVBLNBQZJYFL-PXNSSMCTSA-N 437.496 2.316 30 10 IEEE N#Cc1cccc(S(=O)(=O)N2CCc3c(nc4cc(-c5ccccc5)[nH]n4c3=O)C2)c1 97139028 KSMPWAIIFHNXRK-UHFFFAOYSA-N 431.477 2.308 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(-c2ccc(F)cc2)c1=O 446110806 BUUAQOPJRGDTLG-UHFFFAOYSA-N 448.454 2.297 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cn1 462714117 KNOKDBUTLMURHJ-UHFFFAOYSA-N 437.485 2.001 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 465005785 FCMLNTGRVVFKFN-OAQYLSRUSA-N 432.528 2.019 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCO1 479376949 ABTZSGDEDNYKRQ-QGZVFWFLSA-N 441.553 2.001 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 481034017 KTTIZWGDZSVUPK-GFCCVEGCSA-N 446.451 2.437 30 10 IEEE CCc1ccc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 482100339 GFMYEILTHKDUIG-INIZCTEOSA-N 446.598 2.193 30 10 IEEE Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)cc1C 503624092 HTXXERWSOAIVGB-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE Cc1ccc(C)c([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)CO2)c1 519572725 NZHRHOIJLDPPGM-UWJYYQICSA-N 427.526 2.442 30 10 IEEE CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)CC1 520333188 KBKDKKJRKOGECS-UHFFFAOYSA-N 433.512 2.372 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C#N)c3cc(OC)c(OC)c(OC)c3)cc2C1=O 524246697 ZTKWUEALFIOEMR-KRWDZBQOSA-N 435.436 2.489 30 10 IEEE CCS(=O)(=O)N1CCC(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 525987202 SRIMAHCTBOVEEY-UHFFFAOYSA-N 434.562 2.173 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 526929507 CPBHNIYFYNTFQP-KBPBESRZSA-N 446.495 2.004 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 532894148 QRYHMEKMQGILDE-DEOSSOPVSA-N 438.597 2.142 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 537790383 DILLQJDLKBIBSI-KRWDZBQOSA-N 437.315 2.085 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)NCCOc3ccc(C(F)(F)F)cc3)CC2)n1 546918223 KLDLZOIPPATPSN-UHFFFAOYSA-N 433.434 2.289 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 555255864 OCUNVLGSVNBAJQ-MOPGFXCFSA-N 431.562 2.181 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c1 571132066 VWJQEEGEAPAEPB-UHFFFAOYSA-N 442.516 2.029 30 10 IEEE COC(=O)c1cc2c(cc1NC(=O)N1CCN(c3snc(C)c3C#N)CC1)OCO2 572083057 DEMWZXJZHKDQNV-UHFFFAOYSA-N 429.458 2.193 30 10 IEEE COc1ccc(Br)cc1[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O 583002557 QXJYHQLHAZWLQT-CYBMUJFWSA-N 431.289 2.495 30 10 IEEE COc1ccc(-c2nc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cs2)cc1OC 732153012 DDJUZFYOHBPTGP-ZPHPHTNESA-N 428.470 2.084 30 10 IEEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1C#N 746768620 PCYRZGRCNIKLLF-UHFFFAOYSA-N 442.541 2.400 30 10 IEEE COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1C#N 746857534 HYDYHFQTCAAFSI-MRXNPFEDSA-N 431.489 2.423 30 10 IEEE O=C(O)C[C@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757473981 GCPVALUZXGZYQQ-KRWDZBQOSA-N 448.475 2.231 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@H](C#N)C1 758640837 AMZUTNNKRFEOIO-DGCLKSJQSA-N 443.909 2.149 30 10 IEEE Cc1ccc(N2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 764952985 CENOJBJDXJSMSP-GOSISDBHSA-N 426.542 2.272 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CCO2)c1 766628814 VFJFFYDZYXXVTP-KXBFYZLASA-N 443.525 2.112 30 10 IEEE C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 769838301 HNCXLDXBRPXXRQ-LPXFMOJISA-N 429.498 2.155 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 782918216 BRHBZLCHNSWZRR-UHFFFAOYSA-N 444.940 2.017 30 10 IEEE CSCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCOCC2)cc1 789991769 OPIQXEPZNDNVPN-UHFFFAOYSA-N 443.602 2.328 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)n1C[C@H]1CCCO1 802694343 GPXZNUUZSLQAHO-LJQANCHMSA-N 443.573 2.368 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 806458422 YDTRSJLNXVSAIF-KYJSFNMBSA-N 433.486 2.322 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 917885405 VGCTWZMLVFRUDU-UHFFFAOYSA-N 441.488 2.060 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc1 1083891840 UGAJIGLZUMRZHR-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE Nn1c(NN=Cc2ccccc2F)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084246484 UOYBXQCGOYCIMY-UHFFFAOYSA-N 443.464 2.079 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccn(C)n3)on2)c1 1125126449 WWOZFRQSCJRJEZ-NKFKGCMQSA-N 428.474 2.140 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)s1 1139072062 ITESKQFOJCJCHI-HOTGVXAUSA-N 434.587 2.426 30 10 IEEE CC(C)N1CCN(CCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1146296879 BLZQTJCNIXNSKK-UHFFFAOYSA-N 435.576 2.013 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)n1 1157295519 XINKJMASWZNABV-UHFFFAOYSA-N 427.266 2.197 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C2 1158216540 YDESCSFGQDKMFB-GFCCVEGCSA-N 431.499 2.361 30 10 IEEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cccc(C#N)c3Cl)cc2)CC1 1211513315 UUOFNPBOWMMNIF-UHFFFAOYSA-N 432.933 2.359 30 10 IEEE N#Cc1ccc(OC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)c(I)c1 1270731119 VHFYLJAJCBIZTN-IUCAKERBSA-N 438.143 2.383 30 10 IEEE C#C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(Br)cc1 1275464979 RAMZLYLKGXSBPW-FUHWJXTLSA-N 425.286 2.360 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1286286314 WCFDYMMRIHEFGW-INIZCTEOSA-N 438.557 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1286298830 PRCFUHKSZGKNSF-FGTMMUONSA-N 433.553 2.266 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(C)COC2)c1 1286312441 VTHRNEAUGGCVNA-UHFFFAOYSA-N 447.543 2.232 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286394053 UACGRWBQHPCOMU-UXHICEINSA-N 446.548 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCCn1ccnc1C 1286425998 GEXIBEGUXNDQCU-UHFFFAOYSA-N 433.516 2.454 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COC 1286457708 CUWVERMSLLHFEE-SJLPKXTDSA-N 434.537 2.242 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](OC)C(C)C)CC1 1286483764 XXCODFUKDILGTN-QFIPXVFZSA-N 425.577 2.498 30 10 IEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1 1286499866 PMTAVOSYIGVBPU-UHFFFAOYSA-N 434.363 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286820682 PDNGDCYLBPROTD-KRWDZBQOSA-N 434.610 2.270 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1288735525 DXMYGSXSLQVFGF-LBPRGKRZSA-N 431.440 2.160 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cs1 1290435449 QSLRTMUAQOBJJS-KRWDZBQOSA-N 443.577 2.011 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1299369499 SZKVMAYPLXFQSP-IBGZPJMESA-N 436.516 2.122 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC(C)(C)O)c1 1300336821 OJNTUWXQGVLIQD-UHFFFAOYSA-N 449.559 2.357 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1300367139 WRZHGKVFJVRWRK-UHFFFAOYSA-N 433.553 2.330 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1300403630 OIAUEAMNBFIHRZ-LJQANCHMSA-N 426.565 2.118 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N(CC)CC 1300516644 RXIPBXCBSGZPCJ-SFHVURJKSA-N 427.574 2.152 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300548448 JDSYBWBOCCIMCN-SFTDATJTSA-N 446.555 2.301 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1301514506 JYRWNBBEZYVHFZ-HOTGVXAUSA-N 431.562 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC[C@@H]1C 1301576568 DWKSSFKZFJCLGP-AWEZNQCLSA-N 440.953 2.433 30 10 IEEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1301799518 GPPRYHIRMAPIBU-HNNXBMFYSA-N 432.491 2.205 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1306901874 OHFSAJMCOCIXOO-OAQYLSRUSA-N 435.546 2.302 30 10 IEEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)C(F)(F)F 1315183921 IHOQTEPZCLXGDG-ZIAGYGMSSA-N 449.499 2.278 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1316229462 NBSBZTQNOQBULZ-UWJYYQICSA-N 430.484 2.083 30 10 IEEE C=CCN1C(=O)N(Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)C(=O)[C@H]1Cc1ccccc1 1320761423 DVCHUMWANPEWAH-DVECYGJZSA-N 432.480 2.303 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)C1 1337720452 BUUMOIUAYLDDLN-HNNXBMFYSA-N 425.514 2.126 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1358874185 UIWQDODDHZQTRD-PWHSHALESA-N 441.580 2.179 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1358928046 QXXPZNVQJZFACO-UHFFFAOYSA-N 441.536 2.003 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1358954992 BXKIESGFSXPKCE-IBGZPJMESA-N 430.574 2.304 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961805 FLNCYCOQOGOPNL-UXHICEINSA-N 445.564 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCN(C(C)C)CC1 1358982566 BETMVHJZGGKTMR-UHFFFAOYSA-N 435.572 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCC2)c1 1358992427 LGTUOCSXFUOSGI-FQEVSTJZSA-N 432.528 2.457 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1359060030 HVBMLRDVAYBBLQ-UHFFFAOYSA-N 449.584 2.383 30 10 IEEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359204539 SSBNVHDFDSQDTA-UHFFFAOYSA-N 449.625 2.386 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359306243 ZXXVUHCYEHQJPN-YADHBBJMSA-N 435.569 2.016 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1360471062 ZUTDAPZEKBJJRQ-SJORKVTESA-N 446.577 2.360 30 10 IEEE CC1(C)CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1360824763 PYRBPDBLOITBGO-NCJSADBTSA-N 446.577 2.378 30 10 IEEE Cn1cc(-c2nsc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cn1 1439952457 WGGZEHSEVCVQAJ-LLVKDONJSA-N 427.877 2.455 30 10 IEEE CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1443909669 AWQNKOCUCCHTNW-KSSFIOAISA-N 435.546 2.332 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 1454238423 FGWXBELZUPGFDN-UHFFFAOYSA-N 443.507 2.033 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1454718406 UXLLLSHQBAOIFH-LJQANCHMSA-N 433.530 2.038 30 10 IEEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OC 1455841253 SGJODDHPUZWMNG-BXWFABGCSA-N 438.546 2.112 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCc3nnc(N4CCCC4)cc3C2)cc1Br 1464106294 FVAFSQQZYSQXSX-UHFFFAOYSA-N 448.346 2.458 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1(CO)CC=CC1 1469590395 SKJIMHTYEWGPSF-NRFANRHFSA-N 445.585 2.428 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 1470274264 FQVWABPVRGYRHP-LJQANCHMSA-N 440.443 2.254 30 10 IEEE CCN(CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1501805618 CCHFEQADLDDCTF-FOIQADDNSA-N 433.557 2.442 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCn2ccnc2C)CCOC1 1502682106 UQHCFBUXMKQUSU-NHCUHLMSSA-N 431.516 2.358 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(-n2cncn2)c1 1504887311 BIMPTWIEDAFYQE-LJQANCHMSA-N 436.520 2.168 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1507593115 IGVPURJJSLHNST-UHFFFAOYSA-N 430.459 2.167 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1507692313 WKFZJQOHPZPQJN-QGZVFWFLSA-N 429.525 2.012 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cnccn2)nnc1[C@]1(OCC)CCOC1 1507812748 YWMZOVGUNWTMTB-LZNRXBQRSA-N 428.537 2.338 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507845295 YRKKLWDPTQDZTB-UXHICEINSA-N 433.597 2.454 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 1507876396 FLCXYCNZGPTQAB-SFHVURJKSA-N 431.924 2.433 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507889391 UUEAMOISJSJGKN-KRWDZBQOSA-N 449.552 2.434 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCC(F)F)C1 1508115559 BDBBSWWLLQKIAB-CYBMUJFWSA-N 425.436 2.069 30 10 IEEE Cc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1511023549 VREYLEYHUDYDQF-DYESRHJHSA-N 447.536 2.400 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)n1 1511676036 BXVIASOWMUXCPT-QHCPKHFHSA-N 435.532 2.453 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCN1CC(F)(F)F 1512403780 AFPDLPZTGQHGEB-OAHLLOKOSA-N 449.481 2.368 30 10 IEEE COc1cc(Br)c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC 1519190347 GFXWGZGIDYYNIT-GFCCVEGCSA-N 446.305 2.479 30 10 IEEE C[C@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1C(=O)c1cscn1 1524695106 WKEYMULUYXDIMS-GJZGRUSLSA-N 435.550 2.403 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1527788179 UUDWKMXMEIIPBS-UHFFFAOYSA-N 444.528 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1538982780 MLSREBDIAHBWHE-IAGOWNOFSA-N 427.567 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](Cc1ccccc1)OC 1539232906 ULVBBFDKZMHJHY-FQEVSTJZSA-N 428.496 2.256 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCOC[C@@H]1OC 1539417333 DFKIJPNTYPFAJU-UZLBHIALSA-N 434.487 2.285 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCC[C@H]2C)n1 1539423755 FMESXBCYHHZXOB-DVECYGJZSA-N 449.559 2.374 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539752224 GIXREEBRISFUOL-AZUAARDMSA-N 440.548 2.349 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539989208 PNXKDAVHSLDVST-HNNXBMFYSA-N 441.927 2.492 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1541658649 XHNWKWWFQJBAEL-UHFFFAOYSA-N 425.537 2.384 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOC2=O)c1 1542676268 CLCPOBDOGLQRCK-OAQYLSRUSA-N 428.468 2.450 30 10 IEEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1542971338 VJVZGDUAUBHWNN-INIZCTEOSA-N 448.597 2.004 30 10 IEEE CCCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1547253879 DMZOIFSVMGDIFH-UHFFFAOYSA-N 435.488 2.040 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1548322160 HOZAPVGGADNIBH-LJQANCHMSA-N 447.561 2.169 30 10 IEEE CCCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NCCOC 1548372671 SLFUUWZDCHHQFJ-QGZVFWFLSA-N 426.439 2.157 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C1 1554405105 BTNSLIAMNJKJQQ-GOTSBHOMSA-N 440.548 2.098 30 10 IEEE C#CC1(O)CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 1557604617 WCHZWAZNQJIZRY-HNNXBMFYSA-N 437.309 2.427 30 10 IEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1558464837 OYYLSFBOIYEXFA-SJLPKXTDSA-N 442.541 2.475 30 10 IEEE COC(=O)CN(CC#N)CC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 1559582074 YZZXKSVIFCCMCB-HXUWFJFHSA-N 434.496 2.423 30 10 IEEE C#C[C@@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)c1ccc(Br)cc1 1561601753 XLFOYUZGGSYNAB-MRXNPFEDSA-N 429.336 2.233 30 10 IEEE N#C[C@@]1(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCc2ccccc2C1 1567743842 OSJNXOAJHKNTPK-GOSISDBHSA-N 434.315 2.278 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 1583092427 LVOBONPJNKUYDT-SFHVURJKSA-N 435.546 2.250 30 10 IEEE CCN(C(=O)c1ccc(C#N)nc1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1584718597 WHPPLHXJDOPUNU-INIZCTEOSA-N 429.521 2.273 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1588069245 KCSRDHNZMAUTKD-GOSISDBHSA-N 440.525 2.434 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1588388081 XVJFFGPYLRBICJ-QGZVFWFLSA-N 432.546 2.095 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCCC2)CCOCC1 1588458716 IRKDYOFTYBFECS-PMACEKPBSA-N 431.581 2.107 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1occc1C 1588646204 HEOQBJKSJQOECN-UHFFFAOYSA-N 435.532 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1589506067 RDWQCNRHWDXXFD-AEFFLSMTSA-N 447.517 2.069 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)=O)CC1 1593722298 OPISKMIWUPJVSW-UHFFFAOYSA-N 427.505 2.371 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1594669385 XSOMRHSGOADEGN-PMACEKPBSA-N 431.629 2.377 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1594812461 GLCBZWAARLQPGD-IBGZPJMESA-N 430.553 2.383 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1594961308 AJTDRKDRAHJBPJ-SFHVURJKSA-N 437.541 2.005 30 10 IEEE C[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)N1Cc2ccccc2C1=O 1595349883 QPNYEHCHLBAGGW-MRXNPFEDSA-N 428.496 2.419 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC 1595501053 KSNROVMVSBVZKA-GFCCVEGCSA-N 439.347 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CCC)C(=O)C1 1595506517 CAGBAOULMVWFOF-UHFFFAOYSA-N 448.930 2.489 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1595798643 ROVMCVMGKPYIFI-CQSZACIVSA-N 444.479 2.437 30 10 IEEE O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCC#C[C@@H]1CCCCO1 1606801493 LQBGNPFUNYXBRZ-LBPRGKRZSA-N 438.855 2.326 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C2CCCCC2)CCOC1 1610902137 HBLDRZYWKDWXET-UEVCKROQSA-N 447.580 2.379 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCCN(C(N)=O)CC1 1610921389 HVQXFTIUCSRVGI-SFHVURJKSA-N 427.505 2.006 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1611293160 WGONDRGAGFOVLX-HDRCJFCASA-N 440.895 2.258 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2cn(C3COC3)nn2)c1 1611994186 WRKCIVTWXRPIPT-QGZVFWFLSA-N 436.520 2.423 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CCO1 1614441084 GQDNLORMRQGFAO-LJQANCHMSA-N 446.577 2.150 30 10 IEEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C1CCOCC1 1618322363 NGLNCYAMXXTUNS-LJQANCHMSA-N 434.558 2.418 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1618365175 IRWNYKUOKYTYNT-SGRLSNSRSA-N 428.537 2.152 30 10 IEEE COCCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1620038872 GCIPHJVSKDWWHD-OAQYLSRUSA-N 425.468 2.194 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1620357563 JBSZHRMCELWWKQ-AWEZNQCLSA-N 435.472 2.237 30 10 IEEE COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)N(C)CCC#N)cc1 1622506798 ABLUIWNWDIRHSW-GOSISDBHSA-N 438.550 2.379 30 10 IEEE CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1624104675 FQOQOIQWLDFPFG-UHFFFAOYSA-N 439.490 2.064 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1 1627181689 FNRIBCMDRDGBSN-FUHWJXTLSA-N 445.564 2.007 30 10 IEEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)N1c2ccccc2C[C@@H]1C 1627729482 LBTNDMWJPVGJDS-KBPBESRZSA-N 429.473 2.219 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 1632031201 GDHSXMWDEQCBFE-UHFFFAOYSA-N 440.479 2.474 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CC1 1632624085 NNSGONVPWFLXEV-UHFFFAOYSA-N 433.484 2.062 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1 1632960694 MAQULYWBESFNSF-UHFFFAOYSA-N 432.571 2.159 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOCC4(CCOCC4)C3)C2)C1 1633864843 RHFHBOUDBWNYTC-OTQYULQBSA-N 433.549 2.429 30 10 IEEE C#CCN(C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C1CCN(C)CC1 1635680786 ZNPYDQSQQSNAIS-LJQANCHMSA-N 444.580 2.410 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(OC(F)F)cc1F 1635769891 STDVSLZAWHQEOY-LLVKDONJSA-N 427.404 2.282 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)ns2)CC1 1635993898 UHXZPMAJYIFBGL-UHFFFAOYSA-N 447.358 2.080 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ncccc2C1 1638088008 XDHOGRARGIAFSU-QGZVFWFLSA-N 428.514 2.100 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN3c4ccccc4C[C@H]3C2)s1 1641931688 UGFUNTBTJMUGKQ-KRWDZBQOSA-N 431.583 2.419 30 10 IEEE Cn1ccn2c(COc3c(Br)cc(Br)cc3C#N)nnc2c1=O 1644269590 AUEYXQMWIDSKJD-UHFFFAOYSA-N 439.067 2.404 30 10 IEEE C=CC1(CC(=O)N2CCN(c3ccc(OCC)nn3)CC2)CN(C(=O)OC(C)(C)C)C1 1646283734 SZQKQDRNWDLYPF-UHFFFAOYSA-N 431.537 2.337 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)CCO2)cc1 1652919147 GFWDIGQDZCHINY-DFXYEROKSA-N 426.494 2.427 30 10 IEEE C=CCCSCCNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1662987041 CNRBCZABAWSOHQ-UHFFFAOYSA-N 434.381 2.227 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)C1CCOCC1 1667003941 JBWVSGCBRVVZDC-LAUBAEHRSA-N 433.574 2.335 30 10 IEEE CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)S(=O)(=O)Cc1cc(C#N)ccc1F 1671520681 BXLUDHRBAABQDZ-CYBMUJFWSA-N 431.415 2.375 30 10 IEEE N#CCC1(O)CN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)C1 1672969131 CIGOSCPHQVKTNT-UHFFFAOYSA-N 433.512 2.070 30 10 IEEE Cc1cc(NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c(C#N)cc1N(C)C 1678199205 CKCFGUBSORWDTC-UHFFFAOYSA-N 426.565 2.485 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br 1680908871 DKFKCYVUFFRHJN-PWSUYJOCSA-N 444.189 2.125 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)NCC#CCN(C)C)C[C@H]2NC(=O)OC(C)(C)C)cc1 1684871174 AWGINNBCZFHBFL-VQTJNVASSA-N 430.549 2.262 30 10 IEEE N#Cc1c(CCCNC(=O)NCCC[C@H]2CCOC2=O)nn(-c2ccc(F)cc2)c1N 1684980974 PPHYKCZGGSGYDE-AWEZNQCLSA-N 428.468 2.040 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1689851660 UDNHXXQRVIYMAA-FUHWJXTLSA-N 431.562 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cn2cccn2)cc1 1690052681 OSXKHAFPGIFLAS-UHFFFAOYSA-N 441.539 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2CCN(C(C)=O)CC2)CC1 1690136451 FNVGKMRHLXYYNW-QGZVFWFLSA-N 428.581 2.016 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690289489 CDLHDPOGWPIOIB-UHFFFAOYSA-N 427.459 2.310 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1690528001 WEBZLDDTTSSJPE-QGZVFWFLSA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690661589 AAZGUTCXYRNUHT-QGZVFWFLSA-N 444.967 2.059 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690742471 ROWSINSBRXFNHR-LBPRGKRZSA-N 441.483 2.384 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)OC 1693958121 IDTQQWGLNRYNTM-RRMPHLOHSA-N 439.499 2.424 30 10 IEEE CCOc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)ccc1OC 1696104659 AUECFAFFISWIOW-RDJZCZTQSA-N 447.561 2.232 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C[C@@H]1F 1698449790 VJMCGMGXQFQNLX-LMNJBCLMSA-N 442.539 2.370 30 10 IEEE C#CCN(c1nnc(C)n1CC1(c2ccccc2OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705561679 SEEXLDOAZOOFLZ-GOSISDBHSA-N 428.558 2.344 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOC2=O)cc1 1705588215 ZUCFJWIXBKWJMR-FPOVZHCZSA-N 449.511 2.080 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H]1COCCO1 1705622339 FVTPBKPXNCZFKP-IBGZPJMESA-N 436.516 2.227 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N(C)C1CC1 1705627172 XNEGDIOLPBULQZ-INIZCTEOSA-N 435.532 2.163 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCN(C)C1 1705677844 DWHNQKJTBNEOER-RPWUZVMVSA-N 439.560 2.315 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1705842697 UXZZULNLEINXLK-UHFFFAOYSA-N 437.548 2.451 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCN(C)C1 1705859634 CSNBZGKQZGIRDE-XMMPIXPASA-N 429.528 2.471 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)COC)CC3)nnc2C(C)(C)C)cc1 1705910858 PPOZLNNAMRCURN-UHFFFAOYSA-N 427.549 2.484 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(=O)NC)c2)C1 1705921865 ARSFPCZJKMYECN-IBGZPJMESA-N 433.516 2.119 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1706507004 CNADNOHKQIAHDV-UHFFFAOYSA-N 442.589 2.172 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1706749305 SEZDEKXYODBGNF-AWEZNQCLSA-N 427.509 2.193 30 10 IEEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1707895663 IPGQQWLNZBOOTB-LEWJYISDSA-N 442.589 2.199 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@]1(O)CCOC1 1710708305 JRRZGVLPRXLVSG-NZQKXSOJSA-N 425.533 2.297 30 10 IEEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722313479 WFGTYTXSJCRVKJ-UHFFFAOYSA-N 436.560 2.230 30 10 IEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 1722339188 XOFAMLCXHVPWIG-UHFFFAOYSA-N 432.322 2.359 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](F)COC 1722381796 UCLLMXNXUGTZBO-ROUUACIJSA-N 433.528 2.450 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC1 1722403653 ZEMWBMIEQPYJNG-UHFFFAOYSA-N 436.560 2.472 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722459087 CEUOSOZNALNFPG-AEFFLSMTSA-N 445.593 2.113 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1722472237 HIDZJZQLFNEFNX-OAQYLSRUSA-N 431.537 2.036 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722526052 PRPXQNXMRYTKED-QFIPXVFZSA-N 439.608 2.071 30 10 IEEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722601141 VLNWYUPZAWYCJK-UHFFFAOYSA-N 449.559 2.346 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722629850 ZASUODKQJXYLHR-UHFFFAOYSA-N 449.559 2.357 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCOC1 1722663434 XAWPAQJYSVBDRJ-MDKPJZGXSA-N 434.562 2.408 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1722671459 TYFYRXUZDJRXRN-NHCUHLMSSA-N 436.560 2.481 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1722720420 LCGNLMLIQOTACZ-HYBUGGRVSA-N 439.560 2.332 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1cc(OC)cc(OC)c1 1722736758 HEUXYMKOEAKWFJ-UHFFFAOYSA-N 432.506 2.040 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1723203826 PBTLNXNSIKLERX-SXLOBPIMSA-N 442.589 2.427 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1724009005 BAQDGARYBRTWOO-WIYYLYMNSA-N 434.610 2.422 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCOCC2)cs1 1725351432 MUPFFMQSNHUVAI-NRFANRHFSA-N 429.594 2.486 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1726712347 RQGLLLLKFYLLDZ-GFUWFAGDSA-N 442.545 2.070 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCCNS(C)(=O)=O 1727576966 OQZZMUQEAGYZOU-IBGZPJMESA-N 430.578 2.111 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740625155 OGEIUBZNLJBNCI-PZJWPPBQSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CCCC1 1740641828 PPDBOXUJAULMTK-UHFFFAOYSA-N 440.569 2.308 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccccc1OC(F)F 1740641859 OAQYOLGBNOCQLW-UHFFFAOYSA-N 427.455 2.317 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCN(CC)CC1 1740654103 CZDINYSFLKEEBV-JOCHJYFZSA-N 433.604 2.000 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCCN2CC)CC1 1740705732 LXMFPJALEHRFKM-RTWAWAEBSA-N 442.608 2.360 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740736582 MLOCENHCEOGXNS-AWEZNQCLSA-N 426.359 2.456 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740760546 QAGJPESSHJUCMX-APWZRJJASA-N 425.599 2.072 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)CC1 1740786540 HMKWCOJMCRBAFP-UHFFFAOYSA-N 427.553 2.296 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1740800964 XEQVPCVYHOWPKT-YDHSSHFGSA-N 425.533 2.417 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)COCCO1 1741190868 OBYRDWDFPIICBB-QFIPXVFZSA-N 426.521 2.207 30 10 IEEE CC(C)COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1741587950 PKGRWVHJJIGWKI-GOSISDBHSA-N 447.561 2.140 30 10 IEEE CCc1nnc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1744522339 XNHMJOQWBFITRV-RTBURBONSA-N 435.529 2.223 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1746148200 CKKIWNYQJDJOBQ-GBXCKJPGSA-N 437.592 2.051 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1749219628 NNAVCGYMTQBHKK-UHFFFAOYSA-N 444.536 2.016 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1749368810 QVGLKGKNUBKPRQ-ROUUACIJSA-N 440.610 2.413 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)C1 1749710640 ZJBCINQJCKQYPH-OALUTQOASA-N 425.533 2.286 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@](C)(O)c1ccco1 1750646973 BKCVFWMSMOOFQD-OPAMFIHVSA-N 436.520 2.279 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1751089354 FZPKTZNGDORZJH-JLHGSKIFSA-N 439.520 2.392 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1751092914 GACWCSBYEXOJCQ-HOCLYGCPSA-N 425.459 2.285 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1751157298 DKNOWGNKKGCIGA-VQIMIIECSA-N 425.493 2.314 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760133594 JFMOPQRLTXJKSP-DEOSSOPVSA-N 445.527 2.435 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1760232949 GPTJQDJBOCOOSV-NHCUHLMSSA-N 441.601 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760319856 QBYCJOLEUKDOKJ-SCTDSRPQSA-N 431.562 2.335 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760510092 FUYNYLSYFYNOEQ-GFCCVEGCSA-N 434.547 2.103 30 10 IEEE C=CCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513806 DRUBDXYBTJXVDB-CALCHBBNSA-N 442.568 2.295 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760523675 FJCDLVJFSJUTAB-OAHLLOKOSA-N 446.577 2.083 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NCC)c2)C1 1760544460 ALGIYZZKRAUDKI-HXUWFJFHSA-N 435.532 2.258 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CN2CCCC2)C1 1760549537 GRCPCKXLCFRVGB-IBGZPJMESA-N 430.597 2.304 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC2CC2)c1C 1761590554 HHRGGHVEOVZIDG-PKOBYXMFSA-N 438.532 2.290 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1C[C@H](C)O[C@@H](C)C1 1770177033 DJKNXOYKVAZTQT-DEPCRRQNSA-N 434.585 2.097 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1770447437 AIJXNCWJEDEJRW-HSZRJFAPSA-N 448.531 2.161 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)[C@@H]1c1cccs1 1850411603 NKYVPSUQXZRAJZ-YLJYHZDGSA-N 428.558 2.268 30 10 IEEE CCc1nc(N2CCN(C(=O)c3c(F)ccc(C#N)c3F)CC2)c2c(n1)c(C)nn2C 1851541833 XYSOQXCBZRRUIM-UHFFFAOYSA-N 425.443 2.346 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 1852495962 XGCKVWVQFVJSPL-LBPRGKRZSA-N 441.875 2.122 30 10 IEEE C=CCN(C(=O)[C@@H]1CN2CCN1CC2)c1nc(-c2cccc(C(F)(F)F)c2)nnc1C 1852703936 SKWBCKKLOVUTNL-KRWDZBQOSA-N 432.450 2.385 30 10 IEEE Cc1c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nnn1Cc1ccc(F)cc1 1853219452 YLVDDFLBZRTKII-UHFFFAOYSA-N 449.490 2.020 30 10 IEEE C=CCOC(=O)[C@@H](CC(=O)N[C@@H]1CCN(c2nccn3c(C)nnc23)C1)c1ccccc1 1853220533 NVNIQIFPOODPHG-MOPGFXCFSA-N 434.500 2.031 30 10 IEEE CCN(CCn1ccnn1)C[C@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1854592915 PDIIKOATQVCYNR-QGZVFWFLSA-N 428.924 2.398 30 10 IEEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855824217 KGBOICKCILITSS-QUCCMNQESA-N 437.606 2.139 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2=O)CC1 1857356868 PTUYVIQTIGNMMJ-APWZRJJASA-N 428.920 2.446 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C)nn2CCC 1864318691 CFUDNULJNAJQEX-LJQANCHMSA-N 426.517 2.360 30 10 IEEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CSc1nccn1C 1870298057 OTBRKTYNVILJNE-KRWDZBQOSA-N 432.546 2.076 30 10 IEEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870456791 LGPQXCFUQQGVQY-UHFFFAOYSA-N 447.963 2.255 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1Cc1ccncc1 1870670785 HSGKLHLDCUWHPG-UHFFFAOYSA-N 441.528 2.424 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873563141 JTNRWPHCORJBIC-UHFFFAOYSA-N 434.544 2.004 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874506241 TZNOOMIONHXYLG-SSDVNMTOSA-N 427.486 2.126 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)CC1 1889405331 FDOXXAFLTACJIQ-HSZRJFAPSA-N 439.600 2.275 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)CCc3ccccc3)CC2)CC1 1890511588 XHTIAWPLJJZZLH-UHFFFAOYSA-N 447.645 2.069 30 10 IEEE CCN[C@@H](C#N)CCn1c(C)nc(I)c1I 1936399974 QUBXUGXXOMLJMG-MRVPVSSYSA-N 444.058 2.293 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)C1 1991988204 SIBJDENMSSDVSB-HUUCEWRRSA-N 425.526 2.086 30 10 IEEE C=C(I)CN1CCOC[C@]2(COCCN2C(=O)OC(C)(C)C)C1 1992153656 QXPWBLWEGMJYEP-INIZCTEOSA-N 438.306 2.273 30 10 IEEE C=CCN(CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1993946083 PDVMBOVANJSJIC-UHFFFAOYSA-N 427.542 2.288 30 10 IEEE C=CCN(Cc1ccccc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2241756778 MACVNRSGACMRLW-FQEVSTJZSA-N 446.525 2.472 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831542 ADRBBJLHGPBKCB-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2255598868 ZIVCCKRILWFHSR-OAHLLOKOSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2256036547 ZIBKIBZFPDQTDK-INIZCTEOSA-N 433.358 2.298 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256885790 DKVCLIHVCQLLPQ-XJKSGUPXSA-N 438.305 2.438 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N(CCCC(=O)O)Cc2ccccc2)OC1(C)C 2256923252 LRYKFYMNAWKYHO-UHFFFAOYSA-N 425.294 2.283 30 10 IEEE CN(Cc1ccccc1)C1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1 2267016138 ZCYAMOXHIWCUPT-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267139683 JTWUWRSQORBKCF-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267139711 KATFBSOVFGVDSJ-OAHLLOKOSA-N 446.357 2.371 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2267163355 HCFYSMUETBBMIM-BGYRXZFFSA-N 434.349 2.265 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267272832 DPAKQOGJWVCTTD-IUODEOHRSA-N 441.259 2.052 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267506899 FUHADUUXKWHILK-GASCZTMLSA-N 448.373 2.061 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1 2267600561 IKUGBHXUVNIVPB-UHFFFAOYSA-N 445.369 2.263 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1 2267604451 GREFGODJZBMSDY-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268635682 URXVMCOXEHDTQO-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE C[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268646104 SNDHOSKNMJNNJT-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268649526 DMSWEDDXFKFSOT-UHFFFAOYSA-N 445.369 2.381 30 10 IEEE Cn1cc(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)c(=NC(=O)OC(C)(C)C)[nH]1 2268650404 IWRCSKPCNBYXLR-UHFFFAOYSA-N 443.313 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268655899 QWDLANLQDQTPOR-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE C#C[C@H](C)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 2300087408 JANAIHSFTUECIL-FQEVSTJZSA-N 428.577 2.179 30 10 IEEE COc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCC(N)=O)c1OC 2329727461 RINHAXKIXICDEY-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE CCCOC(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(OC)cc1OC 2331612899 TYFKGNDXRDSPLZ-UHFFFAOYSA-N 438.506 2.378 30 10 IEEE COc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 2332188442 ARNAEPOLIRGMOX-UHFFFAOYSA-N 428.408 2.025 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2334272835 YGOPZKRDMKAFPM-LESCRADOSA-N 443.353 2.366 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337198291 IDCLRCLCXOVMQI-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925069 SLCBFOBMCZLTOM-AWEZNQCLSA-N 434.468 2.170 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)cc1 20527290 NLDGYGIVYVNVLX-SRZZPIQSSA-N 427.490 2.273 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 27559656 OQGKXOMFYICEHJ-UHFFFAOYSA-N 430.936 2.136 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(C/C(O)=N/S(=O)(=O)c3ccc(C)cc3)C2=O)cc1C 96545782 WJIDIDQTGGDKSM-OAQYLSRUSA-N 445.497 2.424 30 10 IEEE CCOc1ccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178859 BZLKIOVCLKDQLJ-UHFFFAOYSA-N 432.528 2.430 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1O 442901744 ULBSHXMPQRMBNU-UHFFFAOYSA-N 439.415 2.429 30 10 IEEE COc1c(C)cnc(Cn2cnc(NC(=O)c3cc(C#N)c(SC)nc3O)n2)c1C 447700026 SHTBMXZRSRCPCY-UHFFFAOYSA-N 425.474 2.293 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccncc3)n2)cc1 490064291 HVPKRWCXKNEIJD-NRFANRHFSA-N 437.463 2.437 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3c3ncccn3)C2=O)cc1 490279750 QYGLEEGOKAZYDL-MBDNFAEBSA-N 444.539 2.403 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 504611660 HZJPHYKPMZUOBA-HIFRSBDPSA-N 436.925 2.237 30 10 IEEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 506783632 YCPYAPJSDJQDKJ-YCRPNKLZSA-N 435.525 2.073 30 10 IEEE CCCCN(C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 507833118 JZTQQQLOJYQVIG-IBGZPJMESA-N 433.574 2.217 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1 510477778 FVTBRZDGAHDTJP-ICSRJNTNSA-N 428.514 2.046 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)ccc1Cl 537183236 VVHQCDGEIFGRSW-UHFFFAOYSA-N 429.889 2.235 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 542728582 NGVLIEDUPAJKRA-QGZVFWFLSA-N 441.509 2.034 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 549534024 FDOUVWMWMUSYNK-JOCHJYFZSA-N 446.511 2.118 30 10 IEEE Cc1cc(C)cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c1 551924165 ZCPDUXCZSMWFGE-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)NCC2(CC#N)CC2)c1 558020592 DYVTVXOMFIGRHH-UHFFFAOYSA-N 429.340 2.029 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)cc1C 560426240 VYDAOJOTDKYFHH-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1 586863625 VGVPENSMPDYIRN-UHFFFAOYSA-N 442.878 2.342 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 590984923 ACXNUGZFYGGTHR-UHFFFAOYSA-N 448.500 2.111 30 10 IEEE CN(CC(=O)NCc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(Br)cc1 609229271 ZDSPDUTWRSLVIG-UHFFFAOYSA-N 440.294 2.397 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(F)c1 610418018 FHNLMPBTEQKBBL-UHFFFAOYSA-N 439.838 2.459 30 10 IEEE CCN1C(=O)c2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2S1(=O)=O 728834977 GSFZTDVZAOAHCF-UHFFFAOYSA-N 439.493 2.406 30 10 IEEE C#CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@H]1CCS(=O)(=O)C1 729332309 MQNPPTBCZYZVAS-INIZCTEOSA-N 425.432 2.462 30 10 IEEE CCCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729670511 UWFHCOFYANDLOH-UHFFFAOYSA-N 443.532 2.499 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccc(C)cc2)cn1 730144669 PZHZHLOMZVPCDZ-IBGZPJMESA-N 442.589 2.411 30 10 IEEE COc1ccc([C@@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N2CCCCC2)cc1 732438664 ANHCKOGKPSPTSQ-LURZSEBBSA-N 441.532 2.048 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cn(-c2ccccc2Br)nn1 734292635 CVTXVKWFFRGEJE-UHFFFAOYSA-N 446.286 2.329 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1)C(C)C 744428217 AFFKITFNUGYYID-ZWKOTPCHSA-N 438.569 2.496 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](OC)C(C)C)c1 744431169 FKFRXDHZVCZYLG-UXHICEINSA-N 444.601 2.338 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C3CC3)CC2)cn1 751687859 JJAIRKQYXPSSSU-KRWDZBQOSA-N 432.594 2.093 30 10 IEEE CCCCCCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 755058994 IOWBVVHFGPUFQL-UHFFFAOYSA-N 438.594 2.038 30 10 IEEE COc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758749771 CAKPNKZDCCDXKQ-WBVHZDCISA-N 447.511 2.425 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(Cl)cc2)C1 760299435 MAPOHMRTMGWPKK-HUUCEWRRSA-N 437.953 2.211 30 10 IEEE COC(=O)N1CCC[C@@H]([C@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 773059625 AGKGFQQPSMZHMD-WCQYABFASA-N 430.324 2.466 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780983766 PTJBUPDAXYMVOB-VQTJNVASSA-N 427.888 2.304 30 10 IEEE C=CC[C@@]1(C(=O)Nc2cnn(CCN3CCOCC3)c2)CCCN1C(=O)OC(C)(C)C 790582719 SKSIKBNPCQWLTQ-QFIPXVFZSA-N 433.553 2.500 30 10 IEEE N#C[C@@H]1CN(C(=O)NCCOc2ccc(I)cc2)CCN1C1CC1 801061021 CXVPYIARQWVVQF-OAHLLOKOSA-N 440.285 2.052 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1-c1ccccc1C#N 917797804 CSDMAIQWWUWFSF-UHFFFAOYSA-N 434.484 2.042 30 10 IEEE COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCn2cnc(C#N)n2)cc1OC 1117525050 QWHSMXCBNBKBIS-UHFFFAOYSA-N 443.467 2.450 30 10 IEEE COc1cc(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c(F)cc1C#N 1131493065 MPDSDTMWTNCGQX-AIADIJKESA-N 436.443 2.448 30 10 IEEE Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1133570732 PBMRQLZXDLBNMH-HNNXBMFYSA-N 448.405 2.103 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1136574963 IGKAJMPMGHLRJJ-GCJKJVERSA-N 433.553 2.225 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C(=O)OCC[C@@H]2C1 1137570257 RMKBLWLRIUWNDM-MJGOQNOKSA-N 440.500 2.446 30 10 IEEE C=CCN(C(=O)c1cc(S(C)(=O)=O)ccc1N)[C@@H](Cc1ccccc1)C(=O)OCC 1154300767 BBZMXYAVYIPURW-FQEVSTJZSA-N 430.526 2.475 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)CC3(C#N)CCOCC3)C2)nn1 1160839350 FUKJFSQUSVAVFP-QGZVFWFLSA-N 432.525 2.177 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2ncsc2C1 1162805278 CHARTLSHDYLQCV-XJKSGUPXSA-N 432.571 2.270 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 1167746351 VSSCTOIEJWDXJX-UHFFFAOYSA-N 444.495 2.184 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1286290582 TVLBAPNRAPKHAK-GJZGRUSLSA-N 440.529 2.019 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286322178 DEMSOXIFLXQJOC-ZWKOTPCHSA-N 444.557 2.260 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1286328014 LMTQWXYNXIJORH-UHFFFAOYSA-N 431.487 2.246 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCOCC1 1286496846 WVVIZVALEJGTIP-UHFFFAOYSA-N 433.965 2.455 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1288964810 HIVVGAQLWOSPQL-HZPDHXFCSA-N 444.511 2.448 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 1294015970 CZRXOVQHYJRDSH-CQSZACIVSA-N 443.591 2.223 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1295164746 CNHNAPNNTMCFNG-IBGZPJMESA-N 439.545 2.117 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)c1 1297952623 FIEWYAYOABHPDO-UHFFFAOYSA-N 449.559 2.394 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298787220 KYXKRDHGTQMKHL-DVSFIDLUSA-N 442.545 2.072 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300401750 YQGFFZYICKMUHL-LJQANCHMSA-N 437.592 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300596531 XLHLRMYRTNZZNA-JOCHJYFZSA-N 434.588 2.488 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300664390 ABNYMGKOSNRQKC-MBSDFSHPSA-N 426.517 2.378 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCSC)CC1 1300707237 BWJGQBDSCFRLLF-UHFFFAOYSA-N 432.619 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)COCC)CC1 1300726453 LMXZISADKFYNCW-UHFFFAOYSA-N 438.576 2.292 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2CCOCC2)CC1 1300729313 VHSIFGNFUWSISX-UHFFFAOYSA-N 427.574 2.323 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1CCOCC1 1300890657 VXDOCTHEHKNJQT-UGKGYDQZSA-N 426.565 2.014 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@]1(N2CCOCC2)CCSC1 1300922099 ZQQSFVXGNRYTGN-JOCHJYFZSA-N 448.637 2.011 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301012739 GZMRDPOGWQJQGT-UHFFFAOYSA-N 434.903 2.157 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1301297120 MCQPGXXGKCXJGE-MOPGFXCFSA-N 449.577 2.011 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301542107 JUNGASAENABHMP-XOMICKMZSA-N 438.488 2.154 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1301610988 BNOQKUXEUCNITO-IRXDYDNUSA-N 443.639 2.157 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(C)(=O)=O 1303896358 AYMKKHIWAUFTOH-LIRRHRJNSA-N 439.488 2.434 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(CC(=O)NCCOc4cccc(F)c4)CC3)n[nH]2)cc1 1307907631 FKOIXVXYSOMMEW-UHFFFAOYSA-N 448.502 2.405 30 10 IEEE CN(CCn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1)Cc1ccc(F)cc1 1314860115 GXNFPQVWLLNIMY-NRFANRHFSA-N 426.475 2.392 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(O)CCc2ccccc21 1316269907 PJZDSQSWONTHQQ-MRKDIWJRSA-N 425.533 2.432 30 10 IEEE COC(=O)[C@H](CC(F)(F)F)NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1323966619 FFKYUWWOCQXHRA-YFKPBYRVSA-N 427.248 2.056 30 10 IEEE CN1CCN(Cc2cccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)c2)CC1 1325526888 XXAVIWKZUUVVDV-UHFFFAOYSA-N 430.516 2.208 30 10 IEEE C=C1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 1355621257 ILKHCXJDFJGFDN-UHFFFAOYSA-N 449.573 2.229 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(COC)CCOCC1 1358877536 GNDRHNHEWPQYNB-KRWDZBQOSA-N 446.573 2.250 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(S(C)(=O)=O)CCC1 1358954127 VUVPOEOBYWWFNA-UHFFFAOYSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(Br)cc1 1358968708 VWXZTYOODIMQKI-UHFFFAOYSA-N 428.334 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC2CC2)c1 1358984497 YPUMKTSGPQBOES-UHFFFAOYSA-N 432.528 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1358986160 PCPMKQDUPJNQSH-ROUUACIJSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)CC 1358986395 VVYFVPBYEJMMCF-QGZVFWFLSA-N 432.521 2.455 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359201605 SZGSSBFYWQWEMZ-UHFFFAOYSA-N 438.580 2.226 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1359279747 RDPCQBSVBIKXEO-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1359458784 UVUJIRYIJHEZON-NRFANRHFSA-N 437.548 2.244 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC(C)(C)O1 1360821148 RWCZWAFNFKFMCA-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE N#Cc1ccc(OCC(=O)NCC(=O)N2CCc3ccccc3C2)cc1Br 1434995416 CHWBPDQBPGTSAK-UHFFFAOYSA-N 428.286 2.401 30 10 IEEE C#CCN(CC(=O)N1CCC(C(=O)NCCCN2CCCCC2)CC1)C(=O)OC(C)(C)C 1444969294 ICUJIQSQWFPSMH-UHFFFAOYSA-N 448.608 2.088 30 10 IEEE O=C(NCC[S@](=O)CC(F)(F)F)c1nnn(-c2ccccc2F)c1C(F)(F)F 1461517433 ZATFXCMITRFKCI-NDEPHWFRSA-N 432.321 2.466 30 10 IEEE CCN1CCN(c2ccc(Cn3c([C@@H]4CCOC4)nnc3N(C)[C@@H](C)CC#N)cn2)CC1 1502316879 UBAASKSVZXJUGX-AZUAARDMSA-N 438.580 2.106 30 10 IEEE COc1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1504244447 BXKVMKHSPVHMJR-FUHWJXTLSA-N 443.504 2.127 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N1CCOCC1 1507525032 XRFFRYSCNPWRBG-KRWDZBQOSA-N 441.532 2.058 30 10 IEEE C#CCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507599965 VSSDDRQRCBTBJK-PKTZIBPZSA-N 431.581 2.033 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1Cc1cn(C2COC2)nn1 1507655163 AADVQDISQHRUFO-UHFFFAOYSA-N 433.541 2.163 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Cl)nc2C1 1507741508 VQAGUYJCXIBKSJ-UHFFFAOYSA-N 430.965 2.492 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507752977 HCDUVHKHGBEIOW-RBUKOAKNSA-N 432.638 2.024 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)CC1 1507805480 JPHMZQCKNUFDLH-UYAOXDASSA-N 443.552 2.009 30 10 IEEE C=CCCOCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1507965161 CJVDXOSKDMFZEA-QGZVFWFLSA-N 425.599 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1Cc1cccs1 1508140741 JSHBFFDKFDXBKW-DOTOQJQBSA-N 449.602 2.103 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C2CCOCC2)C1 1508140983 KSOTVQXIJJXWGS-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508802819 PUJBHTVJSIZIFT-LJQANCHMSA-N 441.605 2.269 30 10 IEEE CC(C)C[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 1537436496 UPBQEWNVNKJHIL-MSOLQXFVSA-N 438.569 2.353 30 10 IEEE N#C[C@@]12CN(C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1538539780 MFSXGKJOBOMNQJ-HKDCCESQSA-N 435.590 2.029 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539119150 HMVICEHYZKZALQ-PMACEKPBSA-N 442.608 2.155 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1OC(F)F 1539230432 HODMGMCCWDUXSV-UHFFFAOYSA-N 427.455 2.431 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOCC1 1539346304 DEPJZTPHMZWYQQ-UHFFFAOYSA-N 435.370 2.228 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(CC(C)C)CCO1 1539378273 WFMTWSMIVUUCRR-GOSISDBHSA-N 444.605 2.086 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1539635207 GHOFLWOGZUWCEW-YWMUFLPLSA-N 430.578 2.317 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1539722640 QCSPTPZQUWCMBQ-HXUWFJFHSA-N 427.549 2.457 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1539729754 KVHAUVCXDVHNAU-HNNXBMFYSA-N 437.541 2.183 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N(C)C)CC1 1539823409 CEMLVOOZQNNDHJ-WMZOPIPTSA-N 425.961 2.449 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1539885196 YJRKRZCYQLXRBV-IBGZPJMESA-N 443.573 2.225 30 10 IEEE O=C(c1cccc(C#CCO)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1540487275 SSQUJAYBFQPRCX-UHFFFAOYSA-N 448.910 2.192 30 10 IEEE CC(C)[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1CCOCC1 1540549224 GLLRDUHFRGQKKU-SGIJDJSVSA-N 434.581 2.246 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N 1541802233 MNRSBIAFVRBMPS-BFYDXBDKSA-N 431.566 2.402 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CCOC1 1544077953 NWMLOTXRADOXTC-URFJDIBFSA-N 446.596 2.168 30 10 IEEE CCCCCCCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1544728269 LGKDIXQXEONMRM-MSOLQXFVSA-N 436.640 2.034 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1554250712 IMMIUSWKNWKIFD-UHFFFAOYSA-N 445.467 2.267 30 10 IEEE CCOC(=O)C(C)(C)ONC(=O)COc1c(Br)cc(C#N)cc1OCC 1557244908 KAPIBASUKDKYRG-UHFFFAOYSA-N 429.267 2.488 30 10 IEEE Cc1cc(F)c(C#N)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1583805874 ADFUSTMTBZEYSG-UHFFFAOYSA-N 446.504 2.345 30 10 IEEE CCN(C(=O)c1cccc(C#N)n1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1584717438 HRPQEGBODJWOQB-INIZCTEOSA-N 429.521 2.273 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(-c2ccsc2)nc1)[C@@H]1CCS(=O)(=O)C1 1588035874 YVAOVUXEPXYUMQ-GOSISDBHSA-N 427.555 2.385 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1588044924 CWCWGBLWOKGARG-INIZCTEOSA-N 427.555 2.385 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1589642223 ZKEQFDHJZNEVJE-HSZRJFAPSA-N 438.532 2.400 30 10 IEEE C=C(Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1593796593 XCKINNDJKWENOD-UHFFFAOYSA-N 438.576 2.462 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nnn(C)n2)CC1 1594134259 NZWDBLDJFVVIHX-HNNXBMFYSA-N 429.529 2.078 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1595142634 SYBDISWOTZHWGW-DLBZAZTESA-N 431.562 2.308 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1595561801 CGXDCIQTOUEWOO-HNNXBMFYSA-N 431.562 2.134 30 10 IEEE C=CCNC(=O)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1 1595595810 ZQUOPNZDKXBNFK-IBGZPJMESA-N 427.496 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccsc2)CC1 1595789476 TVBNINGMLQUFOC-QGZVFWFLSA-N 449.602 2.276 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1596832997 ZPPNLPVIKQVRRZ-AEFFLSMTSA-N 433.507 2.216 30 10 IEEE CS(=O)(=O)c1ccccc1CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1597473389 GHGOYZZVQKETNB-INIZCTEOSA-N 445.928 2.327 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cccn(CC(F)(F)F)c2=O)c(=O)c1C#N 1611231416 OWWNFQJTUWXIMJ-UHFFFAOYSA-N 445.195 2.207 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1611766885 DDQZGCFQWPQWRM-SPYBWZPUSA-N 439.486 2.243 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1614224937 UZYHZFHPOMMPKX-NZEUXEMISA-N 436.516 2.475 30 10 IEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)Cc3ccc(C#N)cc3)CC2)cn1C 1626447737 GFNJAACMPOPHOD-UHFFFAOYSA-N 443.573 2.138 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1627303842 VBFSFJNSUNUGOY-LSDHHAIUSA-N 427.933 2.434 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CSCc1ccc(C#N)cc1 1630900562 MWDHBFLGPLURKU-UHFFFAOYSA-N 448.526 2.137 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1n[nH]c(C)c1I 1633533988 PXGFPKJGDOVORY-UHFFFAOYSA-N 433.213 2.336 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)O1 1634175340 YZGFCNZQRFLFHM-PWRODBHTSA-N 439.516 2.063 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc[nH]n1 1635078894 LKZGYFCSFOJYNB-CQSZACIVSA-N 443.287 2.240 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1635743325 FPZVVASCQBZFHT-DKSSEZFCSA-N 447.557 2.474 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3csc(Cc4ccc(Cl)cc4)n3)C2)c(=O)nc1O 1637506325 VCSVJOQAOOZAIN-UHFFFAOYSA-N 427.873 2.218 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)C1 1638396898 AURYHIUACJYRFN-SFHVURJKSA-N 426.496 2.332 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC(N3CCN(CC)CC3)C2)nnc1-c1ccco1 1639295642 AYIITQIHTNBKIU-UHFFFAOYSA-N 430.578 2.055 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1639611752 KOLAJVPZKGBFCE-UHFFFAOYSA-N 435.527 2.108 30 10 IEEE Cc1c(C#N)cccc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1641368095 SESIHIRZEBXNPT-JFIYKMOQSA-N 433.530 2.475 30 10 IEEE C#C[C@@H](CO)NC(=O)c1cc(Br)c2c(c1)CN(C(=O)OC(C)(C)C)CCO2 1641574990 UXGXWJBPEFVKES-AWEZNQCLSA-N 439.306 2.303 30 10 IEEE CC[C@@H](CC#N)NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1643344096 FGZHKJSDMGJMAW-XGHPXPSOSA-N 446.554 2.015 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(N3CC[C@H](O)C3)CC2)n(Cc2ccco2)c1C 1643898339 XEKQXUMLLIZURB-IBGZPJMESA-N 425.533 2.087 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@H](CO)[C@@H](CCO)C2)c1 1648105275 QYBLDRCJMJKINX-ZWKOTPCHSA-N 439.537 2.352 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1648886484 UJRJAKZGUNRQFS-UHFFFAOYSA-N 432.528 2.073 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)C2)c(=O)nc1O 1653760382 VWVWKGFVTVDWFB-UHFFFAOYSA-N 449.854 2.423 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)n1 1672786860 BCMHSFDRVKUDHY-VAMGGRTRSA-N 428.537 2.068 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1678937517 LEAWVMAYLDXJSQ-CRAIPNDOSA-N 430.448 2.350 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689993861 MTSXONDMKRENPZ-HKUYNNGSSA-N 449.646 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCCCCC1 1690025561 WFOCZMKSMMAJQV-UHFFFAOYSA-N 425.558 2.428 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCO2)n1 1690109169 JAMBYDXBAGONJY-VQTJNVASSA-N 428.537 2.181 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCC(F)F)CC1 1690120408 UBGHFQPWGPPURD-UHFFFAOYSA-N 428.487 2.474 30 10 IEEE C=C(C)COCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1690320579 XKTTVQPAXJOPKY-HXUWFJFHSA-N 439.560 2.292 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1690671355 ULINGEJGQMJYPS-MOPGFXCFSA-N 425.533 2.477 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1692846471 NEOCJRKIBGFMKY-MBSDFSHPSA-N 435.532 2.182 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)C1 1692846925 SKCCSPNWAQBFKP-SFHVURJKSA-N 446.449 2.448 30 10 IEEE CCOCc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1696272338 GTTVQJNPNIBBPT-KRWDZBQOSA-N 425.537 2.223 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)C(C)C 1697197209 ZTLBIYOTZOZSNX-HXUWFJFHSA-N 438.532 2.211 30 10 IEEE CO[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1697686799 RXJOKDPSHJQLGZ-RHRUAYILSA-N 430.553 2.254 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1698057841 PKFZOSCTGJFEQF-UHFFFAOYSA-N 431.500 2.222 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1705517376 UTBACWCNZCBMRK-KRWDZBQOSA-N 437.591 2.112 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1705569498 DFQMUJZGKYSROM-XMSQKQJNSA-N 448.589 2.221 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC1(S(C)(=O)=O)CCC1 1705602402 TZCLOMRGHSGOJW-UHFFFAOYSA-N 444.532 2.426 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2nccs2)CC1 1705635163 SHQNQZXCJTVCFU-AVRDEDQJSA-N 444.605 2.334 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705665782 DFZVZYZEFFKELK-UHFFFAOYSA-N 441.557 2.043 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)C1 1705707359 JQAPSDNANMEWGK-ONCXSQPRSA-N 431.581 2.456 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705792382 RZZHDUSPQGNPRL-KRWDZBQOSA-N 449.621 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(CC)C1 1705930108 FPRQHQMBOTZBNR-HXUWFJFHSA-N 432.550 2.153 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1712134862 OBXCLKNPHXJNPA-IIBYNOLFSA-N 429.546 2.114 30 10 IEEE CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712811393 KQDCOYCOYHUOAK-UHFFFAOYSA-N 437.577 2.415 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1722276016 GWJZRDAKFDUFAQ-CHWSQXEVSA-N 434.547 2.111 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1722363406 SKMFFISEWCMOBP-QGZVFWFLSA-N 449.483 2.073 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722385194 CYTINGJHSCHREK-FQEVSTJZSA-N 445.489 2.399 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1722532331 JBTOHULUJATGTA-GOSISDBHSA-N 446.502 2.427 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722603439 IXVRMKCDSKHKSU-WOJBJXKFSA-N 430.597 2.271 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccccn1 1722680136 YKYQPQIDKYHXEW-UHFFFAOYSA-N 445.527 2.469 30 10 IEEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1723548655 GCTCHNOEJRKPND-LJQANCHMSA-N 442.589 2.172 30 10 IEEE CC1CCN(CCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1726631915 PHFILQLUENFCRA-REWPJTCUSA-N 446.596 2.169 30 10 IEEE CCOCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1729007965 BSJGUUNIAWNYDS-KRWDZBQOSA-N 428.512 2.428 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740620750 RGFCOMZLROZQET-IEBWSBKVSA-N 444.557 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccco1 1740648930 MDKMSHXFLHGSSS-XZOQPEGZSA-N 426.517 2.282 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1740693606 FAYVHANRUWOLFP-WOJBJXKFSA-N 440.567 2.339 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC2CCC(OC)CC2)CC1 1740707404 ATBJAEXDVNASFM-UHFFFAOYSA-N 431.581 2.376 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740719200 BKDXBRHDZBPXCD-LJQANCHMSA-N 425.558 2.461 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740749953 IRUHBSIDEMADES-NMLBUPMWSA-N 430.597 2.414 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740759502 JRLJCMPTDWILMK-PBVWOCPUSA-N 427.549 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740767069 MFLLCALJTDKZIL-XQQXVUDOSA-N 447.580 2.002 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@@H](C)C1 1740885070 WAGLZRQZCFMRPH-KRWDZBQOSA-N 448.593 2.446 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740961391 VEEUWZYXEVHLSX-GOSISDBHSA-N 437.523 2.428 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1741134471 BLYHBLVDPJJYNT-OAHLLOKOSA-N 435.525 2.417 30 10 IEEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1747457187 QEQKDMCUILPLML-PMERELPUSA-N 431.562 2.421 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NCC)CC1 1748744597 BIRVDPYZZHLODM-UHFFFAOYSA-N 432.532 2.396 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 1748978965 SCZDIQBJANJOBP-HTAPYJJXSA-N 444.605 2.254 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N(C)C)CC1 1749286382 JQSUNGXEIGJZGJ-JKSUJKDBSA-N 438.623 2.409 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1749488704 YUXOJILYXTWTCW-FQEVSTJZSA-N 425.581 2.380 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1749550998 ONXDUNRBFPJREG-LBKMDBTOSA-N 431.562 2.413 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 1760145453 PHBCYPFCNAWHOM-HNNXBMFYSA-N 436.607 2.451 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCOC[C@@H]2CCCO2)CC1 1760258154 QFASSDHDRXMBEL-FQEVSTJZSA-N 439.560 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760267068 TYKDONUOSLVTDC-PKOBYXMFSA-N 425.533 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2cnn(-c3ccccc3)c2)CC1 1760270768 ZBXJZYXITKLWHX-UHFFFAOYSA-N 431.544 2.235 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1760434008 XXPDMSAADABRKE-VJANTYMQSA-N 436.626 2.165 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1764124376 VUYTYBSFELIRKO-KRWDZBQOSA-N 429.569 2.241 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1770569314 YDIWTPBSSXUOLC-IBGZPJMESA-N 428.562 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1772516192 QOPDAFZLZIZJIA-UHFFFAOYSA-N 446.555 2.038 30 10 IEEE Cc1nn(CC(=O)N2CCCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)c1S(=O)(=O)N(C)C 1848499326 YVZKUTKWYPPMRY-WOJBJXKFSA-N 443.573 2.439 30 10 IEEE N#CC1(c2ccccc2)CCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)CC1 1848602220 FYZLPPZEZGHZKI-GOSISDBHSA-N 438.553 2.429 30 10 IEEE COc1cccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)CC2=O)c1 1849696157 VYYQQCNMTHGJMR-LJQANCHMSA-N 438.528 2.049 30 10 IEEE C=CCN(C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)[C@@H]1CCN(C)C1=O 1851169786 ZJDLOQIYCYFDHR-OAHLLOKOSA-N 434.345 2.005 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2F)C1)c1snc(N2CCOCC2)c1C#N 1852379423 WTJHQJHCYXQVIK-OAHLLOKOSA-N 443.504 2.002 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1853081095 QSFPLFYDJVEPEX-CQSZACIVSA-N 445.398 2.248 30 10 IEEE N#CCCn1nc2c(c1NC(=O)CN1CCn3cnc(-c4ccccc4)c3C1=O)CCC2 1853157294 CFBTZIKMXBQBPM-UHFFFAOYSA-N 429.484 2.243 30 10 IEEE CCOc1ccccc1CCC(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1855049434 YCZUSGINBAXDGK-GOSISDBHSA-N 430.482 2.437 30 10 IEEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856091930 GFUAQGGIRYUELV-NSHDSACASA-N 448.328 2.063 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)C3CCC3)CC2)nc1 1858448350 RVCVAFCCAJXVEK-UHFFFAOYSA-N 425.514 2.203 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCCOc2ccccc2)cc1 1859010612 YWWUVGAQDRZDPO-UHFFFAOYSA-N 444.509 2.253 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc(F)cc2F)CC1 1866867237 NQQJXZZAZOZGHW-QZTJIDSGSA-N 448.495 2.419 30 10 IEEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 1870112478 GNCJUYSZFKRVBQ-UHFFFAOYSA-N 447.842 2.087 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(OC)c2)cn1C[C@@H](C)O 1870652255 UFEAEJXBXBQPNB-GOSISDBHSA-N 441.528 2.429 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1[N+](=O)[O-] 1874295308 UUFFCOKJCNIPTA-KEBDBYFISA-N 441.429 2.145 30 10 IEEE Cc1ccsc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889508148 OPARNTJELGWORJ-UHFFFAOYSA-N 439.647 2.256 30 10 IEEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1891285697 JMIZETMMQQFRPF-UHFFFAOYSA-N 444.495 2.249 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2010397035 OZWSEELVKQPGPJ-RUXDESIVSA-N 426.319 2.184 30 10 IEEE C=C(CNC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2077056675 IOKUGCWGQMVVBO-MRXNPFEDSA-N 432.330 2.375 30 10 IEEE Cn1cc(I)c([C@H](O)[C@H](N)C#Cc2ccccc2Br)n1 2235726224 ORSFEHYTZLFVFR-TZMCWYRMSA-N 446.086 2.200 30 10 IEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2250119119 VTBNYEGJYHBLMR-HNNXBMFYSA-N 440.541 2.014 30 10 IEEE C=CCC1(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2250781156 HGXAREZZLLGKCR-UHFFFAOYSA-N 439.553 2.288 30 10 IEEE Cc1nc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255640970 NIVFUVGMKAVJGJ-LRTDBIEQSA-N 449.382 2.490 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2255698716 SAVSXKFYNREKFO-FPTDNZKUSA-N 431.342 2.064 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]2C1 2255838338 DQJPOJRWMSPIAU-MJBXVCDLSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267139880 LWUFAUPYMAERJW-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE Cc1nn(C)c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267147146 RSWCYFHWYHMHDC-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267163838 ZPALVNYZIUMMQG-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267177159 KEVHOZIZLAVYCP-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267197401 YFORCNKGUIEQEC-DZGCQCFKSA-N 448.373 2.378 30 10 IEEE Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527312 FQMNVOZGFLFDMA-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268650408 JABFULQCAUMQQW-QAPCUYQASA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268700947 MVMIJXQBOIAREX-HNNXBMFYSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2268711629 NMPWCSGKJWQTDQ-UHFFFAOYSA-N 447.341 2.081 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F)B1OC(C)(C)C(C)(C)O1 2303681291 ABAKNHPOKMVREQ-LSDHHAIUSA-N 448.366 2.393 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2319677249 MUTWDRUSQHCNQB-VBKZILBWSA-N 442.337 2.391 30 10 IEEE CCOc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 2327842473 GCXFGLOCJTYVPU-HNNXBMFYSA-N 444.561 2.251 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1Cl 2330749974 SQUDHTCMEWQRFY-UHFFFAOYSA-N 446.920 2.451 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2337033020 YNIUUWYPCURCMI-QHCPKHFHSA-N 447.385 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)(C(=O)O)C1 2339299843 NAQOICMUMHRUHD-UHFFFAOYSA-N 443.309 2.343 30 10 IEEE CC1(C)OB(c2cnc(OC[C@H]3C[C@H](S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2380937331 MXJLVCAATWSFIW-AULYBMBSSA-N 446.172 2.345 30 10 IEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 109638335 WCBKJTAHTMNAPA-GOBJLOIFSA-N 442.468 2.051 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1=O 196489497 WFHYIFIPCRXZNI-UHFFFAOYSA-N 434.496 2.143 30 10 IEEE CN(C(=O)c1cc(C#N)cn1C)[C@@H](CNC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1 434352681 HLISMEZVENQPFW-NRFANRHFSA-N 432.459 2.489 30 10 IEEE CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)C1 443330983 NTAKDFQCIWNBHV-NGICGMGXSA-N 439.560 2.237 30 10 IEEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 460693097 WDIKVVZBDGMULV-NRFANRHFSA-N 440.548 2.381 30 10 IEEE COc1cc(NC(=O)CN(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc(OC)c1 462073701 GCLMDXNBNMCCAI-UHFFFAOYSA-N 435.444 2.259 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 477694270 OKHXYUGKQRWALE-CYBMUJFWSA-N 427.461 2.403 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 506189288 HYUYEXHDVWRAIM-JOCHJYFZSA-N 448.951 2.366 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 508791413 AYPHCOVUKWMWCV-FXAWDEMLSA-N 449.563 2.364 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 517483594 YMHHTJBWWRTLPA-CQSZACIVSA-N 441.509 2.070 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccc(C)cc2)CC1 549217198 CLZOIHVTRGNYEK-FQEVSTJZSA-N 425.533 2.142 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1cc(N(C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])cc1C#N 561109111 YRLJXTALQBYDFE-UHFFFAOYSA-N 432.525 2.168 30 10 IEEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 570862166 PYRBKGPFVKKKTF-KRWDZBQOSA-N 439.907 2.833 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@@H]1CC 576971519 ZBQWQUSTKUNBBC-HOTGVXAUSA-N 437.591 2.372 30 10 IEEE Cc1cc(NCCNC(=O)c2ccccc2)c(C#N)c(NCCNC(=O)c2ccccc2)n1 589103283 MNBSGPFSNTVBEH-UHFFFAOYSA-N 442.523 2.946 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 609255423 AZMRWELCZFPYTQ-GJZGRUSLSA-N 438.459 2.202 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 670202437 NGEPPISAKNPJGY-RBUKOAKNSA-N 447.561 2.353 30 10 IEEE COCCOc1cc2c(cc1C=NNc1ncnc3c1c(Br)nn3C)OCO2 726739000 ACXBYSBHXZVDSK-UHFFFAOYSA-N 449.265 2.326 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cc1F 730139935 SQTNMUJCYGJLSP-WMZOPIPTSA-N 436.553 2.313 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2nnnn2-c2ccccc2)C1=O 730441255 CMZKNXYITSFQHO-KRWDZBQOSA-N 435.513 2.239 30 10 IEEE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732664532 QIEYRNNKLCGPSS-SFHVURJKSA-N 440.525 2.308 30 10 IEEE CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665090 XCTVBAIVLHYKEW-GHTZIAJQSA-N 437.569 2.285 30 10 IEEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2nccn2Cc2ccccc2)cc1 734095179 MAMILVXQSIKYEB-KHPPLWFESA-N 425.466 2.190 30 10 IEEE CC[S@](=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 741423337 DJUKKTXFBLDNMG-ZOOVNEQTSA-N 428.580 2.170 30 10 IEEE CCc1cnc(CCN2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)s1 742213651 LQSXNBPXUGBKOU-HNNXBMFYSA-N 445.570 2.115 30 10 IEEE COc1ccc(CNC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1C#N 747070242 KHGLGQYXMHHXBK-KSZLIROESA-N 429.542 2.480 30 10 IEEE CCc1c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)[nH]c(C)c1C(N)=O 748380887 BIJVJJHDGAZUNF-CQSZACIVSA-N 426.473 2.485 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2ccc3c(c2)OCCO3)c1 749505444 UOVMPMOSOZNOME-UHFFFAOYSA-N 434.492 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@@H](C#N)C1 749520966 KZGFCRWUOQDROM-ZWKOTPCHSA-N 428.489 2.389 30 10 IEEE COc1cc(Br)ccc1CCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 753188294 HMDBMFCXLCSQKH-VHEBQXMUSA-N 436.306 2.423 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2=CCCC2)cn1 753754731 YFQNENUWKPVMTO-GOSISDBHSA-N 432.594 2.403 30 10 IEEE C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 755058941 GYMMDPFVZAJXRQ-QZAQEVDKSA-N 439.285 2.345 30 10 IEEE C#CCCCCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 760256681 KOYMNHQNNMZXBZ-UHFFFAOYSA-N 434.558 2.345 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)c4ccc(Br)cc43)CC2)n1 760549619 CFNICDWEKQTNLB-UHFFFAOYSA-N 426.274 2.025 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@@](c4ccccc4)(C(F)(F)F)C3=O)CC2)n1 760550440 MTRMFBLWJWEKLD-HXUWFJFHSA-N 444.417 2.042 30 10 IEEE COc1cc(OC)cc(S(=O)(=O)NC(=O)CCCOc2ccc(C#N)cc2OC)c1 774406251 OCFCONQMIRZYAV-UHFFFAOYSA-N 434.470 2.248 30 10 IEEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1OC 787553446 PEOLOGWVTAMSCV-MELADBBJSA-N 429.473 2.406 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 788948543 CBLRQYNEUSOQQL-GOSISDBHSA-N 433.553 2.321 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCc2nccs2)C1=O 790748771 QBJJBQKOQRCBJS-CQSZACIVSA-N 437.616 2.447 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797426252 FAABXPVLEWHAJO-KSZLIROESA-N 432.594 2.091 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(CC(=O)NC)CC1 800778586 LKXUHJNEVBNTCA-UHFFFAOYSA-N 426.521 2.243 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@H]2COC3(CCOCC3)O2)c1 803196858 YJDLUQQJGHLBBC-SFHVURJKSA-N 437.525 2.481 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1 806748327 NJIOAZITXVIGQD-AWEZNQCLSA-N 442.447 2.327 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)OCc3ccccc3)n2C)c1 809864485 JMQHHKXGTPJAGE-UHFFFAOYSA-N 432.484 2.298 30 10 IEEE Cc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)c1 1083899317 JXMZHMSCUPQFSB-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE Cn1nc2c(c1C(=O)N1/C(=N\Cc3ccccc3)SCC1(C)C)CS(=O)(=O)CC2 1124062297 AKSYGQPKZNXMOE-XUTLUUPISA-N 432.571 2.415 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2nnn(C(C)(C)C)n2)c1 1125176190 QMVPYRKNKKIRFH-HKOYGPOVSA-N 447.565 2.202 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3nn4c(c3Br)CCC4)C2=O)cc1 1128016714 SEARXCHSTYGMDU-AWEZNQCLSA-N 428.290 2.389 30 10 IEEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 1131603799 FORXGSXOFNXNNA-MRXNPFEDSA-N 438.575 2.057 30 10 IEEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1151411668 GSPKNTQBFDDGRP-WOJBJXKFSA-N 434.418 2.097 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1 1154191648 YWCFWUQQMFEBSX-SFHVURJKSA-N 438.546 2.030 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C1 1163652608 VNRVBPPQUPBTKV-QGZVFWFLSA-N 430.505 2.299 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC(c2ccc(C#N)cn2)CC1 1196418894 IOTBBZZRIOZIPR-MRXNPFEDSA-N 441.557 2.410 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)ccc1Br 1197302844 FTYBAKMIGWXREE-UHFFFAOYSA-N 448.342 2.396 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1Br 1209566887 HVTKUJQVZZQDDK-GFCCVEGCSA-N 430.299 2.235 30 10 IEEE C#CC1(O)CCN(C(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1 1227763818 BNVXRBGRTDWHNQ-UHFFFAOYSA-N 443.525 2.166 30 10 IEEE CN1C[C@@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](c2ccccc2)C1 1233851665 HMYJZADFCUZEBF-YRPNKDGESA-N 427.549 2.390 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1ccc(N3CCCS3(=O)=O)c(F)c1)C2 1235136408 HHXJRSPMUDGAPE-SFHVURJKSA-N 428.489 2.204 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1286363233 LNQKGVRFERGTLN-ZJSXRUAMSA-N 439.560 2.073 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286612056 VDLWBMXGBAAKIX-PXNSSMCTSA-N 446.621 2.383 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286834971 OQVSZXCDYRSEQZ-GOSISDBHSA-N 448.637 2.009 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1291654060 GGLGEVKKYGFANM-JENIJYKNSA-N 425.537 2.189 30 10 IEEE CC/C=C\Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1293716451 BEEKAGYEHJWLTJ-RURPWVQCSA-N 446.563 2.483 30 10 IEEE CC/C=C\Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1293727139 UWNRAQPYYQXAND-IYZQMXKPSA-N 437.548 2.490 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1294976159 KNXAUQUSEVPVDX-IBGZPJMESA-N 445.564 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1300505523 CGOONZVEQGXFGS-QFIPXVFZSA-N 448.571 2.335 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(CCOC)c1 1300506177 OJDLAHYMTSCFNK-UHFFFAOYSA-N 445.527 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCCCC1=O 1300591095 LDEYWPVPMXHHCS-UHFFFAOYSA-N 435.576 2.395 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1300630555 DSFHINWYBQNWTB-FGTMMUONSA-N 433.553 2.471 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1300658162 BZTINDXJZLWWHF-VQIMIIECSA-N 427.505 2.410 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C(=O)NC)c1 1300665825 OQTLPUOUKNFMDN-FQEVSTJZSA-N 425.533 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1300719022 LMYSUJGHRWPICC-SIKLNZKXSA-N 446.555 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)N[C@@H](C)CC)CC1 1300725755 JOQWXQYXEPUXOE-KRWDZBQOSA-N 430.597 2.137 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1301109554 LBTJQGOUKOWWSA-HSZRJFAPSA-N 425.533 2.480 30 10 IEEE N#Cc1cn(CCNC(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)c(=O)nc1O 1301212804 FQYFAIKVFSORSR-UHFFFAOYSA-N 436.859 2.238 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)CC(F)(F)F 1301281740 XKCQAKWRSCUGGN-UHFFFAOYSA-N 435.458 2.427 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1301815343 RLDHCTURXVKSGA-OAHLLOKOSA-N 432.498 2.360 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@H](C)C1 1305792607 UEHFAGRZOOFKGB-ICSRJNTNSA-N 445.612 2.437 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(C)(C)C1 1313348585 MZGWXYFVLPNYFX-QGZVFWFLSA-N 428.537 2.430 30 10 IEEE CN(C)CCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C#N)CC1 1314669812 DZBSLAGWTNMXNZ-UHFFFAOYSA-N 434.548 2.449 30 10 IEEE CN(C)CCOCCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314673230 JROLFVVEAUIUDD-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1315055906 DQKCWGGZUKGHAU-SFHVURJKSA-N 436.564 2.010 30 10 IEEE C=CCO[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)C1 1320038079 NCXFWIHAOFECNY-YAJBTMAUSA-N 433.505 2.255 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCC(=O)NCc1ccccc1 1359073166 FRXHLMCJWWEBTA-XMMPIXPASA-N 434.544 2.099 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359130747 VANWFVIDUDVZPV-HXUWFJFHSA-N 426.565 2.481 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359136330 GQTYILUNDXHBDM-FXAWDEMLSA-N 441.532 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)C(C)(C)C1 1359326762 JBENKJROTFIZHL-INIZCTEOSA-N 446.577 2.399 30 10 IEEE CC(C)NC(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1360272314 OOCOZUPJHGIVEB-JOCHJYFZSA-N 432.569 2.363 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1360393825 ZURHZXWAWJGTMD-KRWDZBQOSA-N 426.521 2.211 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1360471154 CESNMWFFMUMZTN-QGZVFWFLSA-N 433.516 2.481 30 10 IEEE Cn1cc(I)c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)n1 1440678962 AKTKWZRVSHXOEA-HNNXBMFYSA-N 435.269 2.047 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1443888666 DIIPKHKQZUVXHW-CQSZACIVSA-N 435.269 2.173 30 10 IEEE C#Cc1cccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1451443726 WNWQVQNYPZSTFP-UHFFFAOYSA-N 428.510 2.204 30 10 IEEE CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)c1cc(C#N)ccn1 1459113155 RHFYXZURCYSDHF-IBGZPJMESA-N 442.273 2.146 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 1465553473 BNLDXSGYMAPVCC-NLZINVLXSA-N 434.464 2.419 30 10 IEEE C=CCc1cc(CNS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1474892429 AMZRMOIHVHDVSL-UHFFFAOYSA-N 426.535 2.471 30 10 IEEE C=CCCCCCCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1478774070 SSJQKYOJUGGKOG-OALUTQOASA-N 430.615 2.194 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)C1 1503677199 FQRPNRWGSYVZRF-IFXJQAMLSA-N 437.331 2.047 30 10 IEEE COC(OC)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1504010734 XZCQITTZZIAEFL-CRAIPNDOSA-N 447.561 2.258 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N 1505013913 ZWZIWXUSCQPRHH-WMZOPIPTSA-N 426.521 2.350 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1507575706 SSKGDKVHSOTBIW-MRXNPFEDSA-N 449.552 2.489 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507656040 FASKPCMLPZCMGN-KNQAVFIVSA-N 425.558 2.435 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1507693390 BAIQMOWJPUWZSN-GOSISDBHSA-N 430.503 2.441 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1507763554 CYNBVIBTERHMAG-IIBYNOLFSA-N 449.552 2.489 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507867427 NDLSLDNWJHWNRE-UZLBHIALSA-N 443.983 2.005 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1507942515 DIMWFFCOFKSOQZ-IIBYNOLFSA-N 431.562 2.490 30 10 IEEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)n1 1517385987 BTNKPKXMKSLFON-UHFFFAOYSA-N 432.532 2.275 30 10 IEEE Cn1nccc1[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)OC(C)(C)C 1531280973 KJJGETYRVXOVON-KXBFYZLASA-N 427.480 2.456 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(OC)cc4OC)CC3)cc2C1=O 1534278381 YDJMLNALXAGEQO-UHFFFAOYSA-N 435.480 2.448 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1534304262 SPOZULHNJKKMIJ-HOTGVXAUSA-N 440.541 2.276 30 10 IEEE C=CCN(C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)[C@@H]1CCS(=O)(=O)C1 1537473753 GRUUNXFRXZIIFZ-DXIQSLLYSA-N 432.542 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccn(CC)c1=O 1539010962 DAVUYXPYGSYPDH-SFHVURJKSA-N 446.559 2.140 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(O)cc2)CC1 1539140705 AYNFBTMXTNZJBL-RXVVDRJESA-N 425.533 2.448 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2F)CC1 1539460178 ZJFHTSWVDVEMCL-UHFFFAOYSA-N 438.532 2.212 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OCC)CCOC1 1539639969 DFSPKIZFIJQRPL-WCAVRKLYSA-N 449.596 2.262 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 1540043806 IMLVBYHVFJVONA-UHFFFAOYSA-N 442.907 2.393 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)OC)CC1 1540862563 FFMUGUIIXRTPOZ-OAHLLOKOSA-N 445.495 2.249 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1541687782 COCMHFBIOJFOIX-FQEVSTJZSA-N 448.531 2.043 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)CC(F)(F)F 1554290149 QCELQWJXOHIKNW-HXUWFJFHSA-N 447.465 2.027 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1554531977 VRMKUAKYBDEZCL-MOPGFXCFSA-N 425.489 2.012 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCc2ccco2)c1 1554783463 FETMJEHEYRKLHO-OAHLLOKOSA-N 438.488 2.468 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccccc3S(C)(=O)=O)C2)C1 1557038579 VEEICLKKIWZIBP-JQHMZKTJSA-N 447.557 2.493 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)c1 1557585691 CACQKJYBHVVHOK-UHFFFAOYSA-N 439.497 2.301 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1558403369 YBMBJFNXJLQTBC-LIRRHRJNSA-N 426.498 2.205 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)c1 1565246829 JWSYDEMXFZLCHY-XMSQKQJNSA-N 434.496 2.490 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2cccn(CC(F)(F)F)c2=O)cc(OC)c1OC 1584302874 SXESZHNCCVJCPM-ZDUSSCGKSA-N 425.363 2.431 30 10 IEEE C[C@H](CC(=O)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1584693210 VIVKFGYNXPPYHX-YJYMSZOUSA-N 441.488 2.272 30 10 IEEE CCOC(=O)Cn1nc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1585134591 FAPCAWFJXHFJEX-CQSZACIVSA-N 429.864 2.271 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccc(C#N)c1 1585726037 OAFNIYGXLRSOLI-DOTOQJQBSA-N 439.434 2.481 30 10 IEEE C=CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1587497676 DHNPXQCZMBKMSR-GJZGRUSLSA-N 430.954 2.460 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588035338 SDSOKUWJJLHOBL-HNNXBMFYSA-N 428.436 2.160 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)Br 1588186325 WAWBCNQABRAYRJ-INIZCTEOSA-N 431.281 2.381 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588791260 PUTNUVYLAWZQAO-SFHVURJKSA-N 426.952 2.268 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccsc2)CC1 1594097102 MAKZDWAVCCABDO-QGZVFWFLSA-N 437.591 2.072 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)C1 1595714125 KJFHIVVFYXISST-HOTGVXAUSA-N 448.474 2.098 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1595737961 JRMKECCSOQHTFD-SFHVURJKSA-N 443.523 2.071 30 10 IEEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595895483 KVOINHUNODYNIJ-SFHVURJKSA-N 442.589 2.205 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1596978674 PTJDTQDMRKMJCG-IAGOWNOFSA-N 435.546 2.261 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1612385808 GQBAMKSEGRWGEZ-OLZOCXBDSA-N 448.574 2.405 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CO)C(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2O 1614467822 DZPROHKVTKFBQP-HTOQASCOSA-N 448.560 2.244 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCSC 1616922662 IYCVTOHDJXZBSA-INIZCTEOSA-N 430.582 2.335 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)(F)F 1617384086 BNPRDLDAFBHOPF-UHFFFAOYSA-N 430.456 2.145 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1618172931 GWUSLBQCGYVEGP-UKAVVXHISA-N 436.574 2.031 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)C1 1619954325 DEXJKGXJELIGAZ-FUHIMQAGSA-N 440.548 2.219 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1=O 1624817348 QMXDILCNZRSTIX-VQTJNVASSA-N 440.544 2.366 30 10 IEEE COCCN(CCNC(=O)N1CCN(c2ccsc2C#N)CC1)C(=O)OC(C)(C)C 1633926431 HDHHZCNKPUYYSZ-UHFFFAOYSA-N 437.566 2.335 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC2=C(CCC(=O)N2)C1 1640387328 QEZPBNDMYHVLIS-UHFFFAOYSA-N 434.290 2.495 30 10 IEEE CN(C)CC#CCNC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 1643409454 IRFFVAALOPYZOC-UHFFFAOYSA-N 439.541 2.272 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)C2)nc1 1645085308 NQKXEXQONJAWKL-KRWDZBQOSA-N 432.484 2.122 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1 1645268353 LQSYTLPXWYIOQR-UHFFFAOYSA-N 427.526 2.369 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H]1C 1649539969 SVMYIVODVZUTEW-IRXDYDNUSA-N 443.621 2.489 30 10 IEEE CC#CC[C@@H](CO)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 1651273516 MXYRCBJZNOCBOC-HNNXBMFYSA-N 427.339 2.179 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1 1655813691 LISIALXVDMCCCU-LJQANCHMSA-N 445.541 2.229 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1689916142 AYAGZOOGKLXGGM-SFHVURJKSA-N 443.573 2.067 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690196755 WXTWOESYBKLQIY-PPEFQKSUSA-N 441.495 2.335 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690271297 KLSGPSMUNTYZFI-NRFANRHFSA-N 434.562 2.118 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690319216 GOBJJQSMXIMCFC-AZUAARDMSA-N 436.516 2.036 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nncn1C 1690561495 SBIMIIYFEFQBRW-FPOVZHCZSA-N 448.531 2.243 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC1 1696175530 HWCGAHWWTGAMDV-SFHVURJKSA-N 426.521 2.080 30 10 IEEE COCCCN(C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1697989383 YDYFHBQJYCHZFF-IBGZPJMESA-N 435.532 2.190 30 10 IEEE COCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698226927 UMHMCEPVFHYCAP-UHFFFAOYSA-N 427.553 2.123 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1705508388 NQXITXCXNTYEAY-UHFFFAOYSA-N 432.532 2.499 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccnc(OC2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 1705561119 NISNBVNYQCZSHL-IBGZPJMESA-N 443.573 2.368 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705571676 FLNNRKCUVGUSSA-UONOGXRCSA-N 434.484 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705702293 GRFPSTJSQXNUNS-GGPKGHCWSA-N 439.564 2.459 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)C1 1705732906 FYWTZHHFRJXOFT-UHFFFAOYSA-N 429.521 2.270 30 10 IEEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1705771143 JFEXRARHGCPUDX-UHFFFAOYSA-N 446.573 2.262 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(OC)CCOC1 1705882625 DPFSOTMCZMVHDV-QFIPXVFZSA-N 430.505 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1705929248 MJAPXIQXSYZQGY-QHAWAJNXSA-N 428.533 2.487 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)CC1 1712476977 GXMNTSSXSXSXTB-HXUWFJFHSA-N 437.592 2.317 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@H]2CCOC2)CCO1 1712884359 KLBWSYOVIKOTOZ-QUCCMNQESA-N 429.496 2.180 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1722358704 KYAJXPUMLHVPHF-QGZVFWFLSA-N 435.594 2.013 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722364051 DNTVPRUKCXBPJN-HXUWFJFHSA-N 439.516 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCOC1 1722392569 IHPFLLZUFRGWNI-HXUWFJFHSA-N 447.308 2.461 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722425339 VMLVCOQXWBENSS-UHFFFAOYSA-N 443.552 2.164 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722461797 GYXYZQBIGXYRSC-MJGOQNOKSA-N 431.631 2.454 30 10 IEEE C#CCSCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722464022 SFQDVKQLSIDFLL-QFIPXVFZSA-N 449.621 2.038 30 10 IEEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1722650008 JVDNEMAMZWLMOG-UHFFFAOYSA-N 448.618 2.182 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(O)CCOCC1 1722656393 ZYOYZOIRKNAGSN-UHFFFAOYSA-N 431.500 2.341 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1728802144 GJFMGSNZSPRAGH-DHIUTWEWSA-N 438.532 2.207 30 10 IEEE CCOCc1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1Cc1ccc(C#N)o1 1729074584 SGQUECYGAFMMMP-UHFFFAOYSA-N 425.493 2.255 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1730403065 FNOVCKBZIIYWRJ-UXHICEINSA-N 438.532 2.074 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC=CCC1 1731216788 ANFJUGNLNVJPIC-MRCUWXFGSA-N 438.463 2.289 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccnc1OCCOC 1740555364 HBZIRQJTHKIBOT-GOSISDBHSA-N 445.527 2.443 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1740668911 DWTWTYAWRPNKJZ-UHFFFAOYSA-N 445.531 2.194 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1740697632 ASZSSJKWKSJENU-UHFFFAOYSA-N 441.461 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1740750082 LKSNNTCLUFAHOC-MJGOQNOKSA-N 446.596 2.139 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740751716 NZLWBBZMJMYSRX-UEXGIBASSA-N 430.597 2.173 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](OC)C1 1740764458 XBVZKMXYHBTRMG-GJYPPUQNSA-N 431.562 2.476 30 10 IEEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740801902 HESNXWHAHNGQSU-CQSZACIVSA-N 436.988 2.484 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740862371 QLXGZPDWJYVVIY-SJORKVTESA-N 442.568 2.414 30 10 IEEE C=CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740997276 WSKJQXKYIFFDQV-UHFFFAOYSA-N 433.582 2.378 30 10 IEEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1741520127 HRJCRHMGYSYMTG-GOSISDBHSA-N 433.520 2.395 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1744756010 HGDYNIKAVGCNRG-KRWDZBQOSA-N 439.520 2.056 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1748657473 BONJVRBHYLXQBJ-MRXNPFEDSA-N 441.532 2.092 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)N(C)C 1748887913 IRAUITPJGPXTMB-RTBURBONSA-N 440.498 2.273 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1748929461 JQEKLHCOIXATDO-HXUWFJFHSA-N 445.589 2.093 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2)C1 1749043980 MSTVGRUEXZDFNQ-IBGZPJMESA-N 425.558 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749137285 XJTLWFORLNHNKM-SJBKTWHCSA-N 431.581 2.333 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749232100 CNKKTEWRYDVFAE-MOPGFXCFSA-N 425.533 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCCCCC1 1749666597 NKXRYDGWGVCTBF-UHFFFAOYSA-N 435.532 2.265 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCc3nccn3C2)C1 1749694503 SVHBBJISXYEIRW-MJGOQNOKSA-N 441.580 2.437 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 1749707876 GYYOPZQQETXHFD-HSALFYBXSA-N 442.539 2.453 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749754456 MZSMNOWKDVFXNB-SFHVURJKSA-N 440.573 2.310 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1750451344 GGUAFOLHMDVXLP-MOPGFXCFSA-N 438.532 2.470 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1 1760122388 KRTUVJHBYUCWRZ-HXUWFJFHSA-N 435.576 2.214 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)CN1CCOCC1 1760123834 LWMHJCKGFBMDNB-OALUTQOASA-N 427.549 2.292 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1760202587 HVZWCNFQMXUSBE-WOJBJXKFSA-N 439.585 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)c2ccc(C)cc2)CC1 1760265899 LPAQCSUYKQDNDB-UHFFFAOYSA-N 436.560 2.106 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCN1CCC(O)CC1 1760288094 QHSQVCMLJBEODP-HSZRJFAPSA-N 430.597 2.035 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)C1 1760315730 IIKSGCXVKKLHET-GUXCAODWSA-N 429.496 2.475 30 10 IEEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCNS(C)(=O)=O)CC1 1760391592 JFKOHIIKNVIFDY-UHFFFAOYSA-N 428.562 2.377 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)OC 1760479984 GYZZEOKFCKQBMX-VQIMIIECSA-N 429.546 2.279 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1760490923 NJNNGTVQTXMPIB-UHFFFAOYSA-N 431.562 2.289 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760695156 BMMSSKCDJSAVFV-IWKHNONTSA-N 437.479 2.130 30 10 IEEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1761409817 FPLIVIXSWVUGDW-IAGOWNOFSA-N 427.528 2.069 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)c1 1761670557 FWDHBVLIQNDCLQ-LJQANCHMSA-N 440.504 2.045 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761698588 ZZMPVPYUKQZDPE-QGZVFWFLSA-N 431.548 2.386 30 10 IEEE CCc1nnc(N2CCC(OCCC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764838554 NFAIBWSMBNXYKH-MRCUWXFGSA-N 430.553 2.398 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCN(C)C2)cc1OC 1765967695 CATXFLYAKKGSIG-KSFYIVLOSA-N 428.537 2.015 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCN2CCCCC2=O)cc1 1770732540 CHCVBUZGEDBBQC-IBGZPJMESA-N 449.559 2.311 30 10 IEEE COCC1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770929509 RYKRSTZUCSWNDR-VXPUYCOJSA-N 430.553 2.256 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1771267825 XZZJWSCAOQGPFB-PMACEKPBSA-N 438.532 2.117 30 10 IEEE Cc1c(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)nnn1-c1ccccc1 1852211739 LXHRPCIBSBWIRY-JOCHJYFZSA-N 447.495 2.384 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccccc4Cl)n3[nH]2)CC1=O 1852331919 WBEGCBMMALFFIG-KBPBESRZSA-N 440.891 2.313 30 10 IEEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCN(C)C1=O 1852784462 KNULSYNERJKKCE-HXUWFJFHSA-N 445.516 2.316 30 10 IEEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ccccc21 1853614655 LARBLYAMBJYYQN-APWZRJJASA-N 432.546 2.263 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C1=O 1854174278 CGRZWKADUBJWKE-QZTJIDSGSA-N 431.920 2.149 30 10 IEEE COc1ccc2sc(N3CC(C(=O)N4CCC[C@H](N(C)CCC#N)C4=O)C3)nc2c1 1854305151 BLAVJHICHVKIBF-KRWDZBQOSA-N 427.530 2.104 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cc(Cl)ccn2)CCN1S(=O)(=O)c1ccccc1C#N 1854458236 IROFQBBIRIPKTL-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCCOC 1870570421 CCUUQVHSTUXGQB-UHFFFAOYSA-N 447.561 2.236 30 10 IEEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(C(C)=O)CC3)C2=O)cc1 1871393094 MZUPHQGYNMOKSN-BKUYFWCQSA-N 436.464 2.459 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2052712964 SYFWDMZQNPPCOM-OALUTQOASA-N 432.370 2.446 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229114142 NFUXAGISKFCRDQ-GOEBONIOSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773509 KQZRTNQBBVPRDB-OLZOCXBDSA-N 437.371 2.333 30 10 IEEE CC(C)[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2248420682 ZCNXJZHJYVLEQV-GFCCVEGCSA-N 440.375 2.089 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254800238 MDDLMMROHICGJO-OAQYLSRUSA-N 437.321 2.304 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCC1 2255627402 SJYLOWDFXQYQDE-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CCC[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255646493 OTPVITWRYDPLSD-OAHLLOKOSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256615380 UFKLSXBEAIWNNT-BBRMVZONSA-N 433.314 2.002 30 10 IEEE Cc1nc(NC(=O)[C@H](F)CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256640701 QMJLOVSVSLKUTJ-CQSZACIVSA-N 438.309 2.276 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267155486 UUPQDFCPQWXPMG-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2267507187 JXOUJJDJXIZRGO-UHFFFAOYSA-N 449.357 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2267519571 IJHZEPYNRUCIOV-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268713657 ADRCCMMKVBXUGZ-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c(C)c1 2296463638 ZLUHDEVGSPPFHS-QHCPKHFHSA-N 442.537 2.157 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337197274 VDVOZTBAYNTVAT-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2337208919 PJGNQAOASVGYEJ-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C 2337282946 JRNMGABUUNNVQB-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE COc1[nH]c(=NCC2CCN(C(=O)C(F)(F)F)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2339787805 GHINGGZSTBIEEL-UHFFFAOYSA-N 443.275 2.024 30 10 IEEE C=CCNC(=O)N1CCN([C@H](C(=O)NCCc2ccc(OC)cc2)C2CCCC2)CC1 36310636 MPESIBVRECKKQL-QFIPXVFZSA-N 428.577 2.426 30 10 IEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CC(=O)O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102573264 AFTCQWMDAGOMEO-LYHOESIGSA-N 426.381 2.500 30 10 IEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1)c1ccc(O)cc1 254571408 VIHHKMARCIXCMW-UHFFFAOYSA-N 432.484 2.218 30 10 IEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1)c1ccccc1O 254815781 DTHJAPCJEOHPHH-UHFFFAOYSA-N 432.484 2.332 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1 427180023 UIYQQUZDMGTROE-FQEVSTJZSA-N 433.574 2.481 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1occc1COc1cccc(C#N)c1 439931062 ZCRKQXJEXPJXFM-MKXGPGLRSA-N 438.436 2.295 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCO2)CC1 461062256 VUYXBLKQTWSYFI-FPOVZHCZSA-N 438.532 2.133 30 10 IEEE COC(=O)CC1(NC(=O)c2cn(CCCC#N)c3ccccc23)CCS(=O)(=O)CC1 469814815 WXMGOPNWABUFCZ-UHFFFAOYSA-N 431.514 2.185 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 479909736 DIBKRJDDOVOTEY-KNQAVFIVSA-N 434.544 2.329 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 507746017 BYSCDBDLIWHDEC-UXHICEINSA-N 425.577 2.387 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C)cc1 523815188 YKTBFUBJUSBYAX-VWNXMTODSA-N 432.524 2.431 30 10 IEEE CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(C#N)c(SC)nc1O 533865993 KTLYJLDULAXNFP-UHFFFAOYSA-N 427.486 2.440 30 10 IEEE COc1ccc(Br)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546176615 GCFDUPNAOZUSLX-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 549692951 YKCKTSIKRJFYKU-UWJYYQICSA-N 436.560 2.320 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1sccc1C#N 566553013 FLRSASMDZOFOAM-UHFFFAOYSA-N 434.543 2.207 30 10 IEEE N#Cc1ccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C(F)(F)F)c1 572086844 TWLYCYOZCOYYEP-UHFFFAOYSA-N 426.420 2.605 30 10 IEEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccc([N+](=O)[O-])c1 583061343 KFXFUELDNFXBRU-HNNXBMFYSA-N 428.470 2.103 30 10 IEEE COc1cccc(-c2ccc(=O)n([C@H]3COC[C@H]3Nc3nc4c(cc3C#N)COCC4)n2)c1 585628730 CDBONDBMQAVJQM-YADHBBJMSA-N 445.479 2.310 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCO1 619853448 WQWMIAHCIIRFCR-YWZLYKJASA-N 447.540 2.168 30 10 IEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670196352 QLBFXRQDQDSUCI-QGZVFWFLSA-N 431.541 2.012 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)cs1 679755327 OXQHPAHMPWPOSO-MRXNPFEDSA-N 429.567 2.116 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccsc2)cn1 730144408 LECQTOORSRMFPI-MRXNPFEDSA-N 434.591 2.164 30 10 IEEE COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731862459 FYFCZZODJGYWHR-ATJXCDBQSA-N 434.452 2.204 30 10 IEEE N#C[C@@H]1CN(C(=O)CCCCCn2c(S)nc3ccccc3c2=O)CCN1C1CC1 732679233 VKQFFVBJCFJXGU-QGZVFWFLSA-N 425.558 2.444 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)CCN1C1CC1 732708849 VZRCHEUWPFDLMJ-OAQYLSRUSA-N 443.507 2.027 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 732946335 ZXRKKTLEEGDHHL-KRWDZBQOSA-N 429.489 2.342 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C#N)cc1 740212471 OJSFODFMCIFNBD-LIRRHRJNSA-N 441.371 2.416 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 740235522 HQJOXHWKFMCSEJ-BHDDXSALSA-N 448.475 2.080 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cccc2nccnc12 755641848 ZEXHGGQJEIVYBH-UHFFFAOYSA-N 443.419 2.167 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 758228469 ZVMGOLUWQKMUHJ-SJTPKYKMSA-N 434.537 2.493 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCN(c2ccccc2)C1=O 758751106 IHAHCRRCHMIFDP-CGTJXYLNSA-N 427.505 2.192 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)c1 772311647 OVKWUAOQPGKRPO-UHFFFAOYSA-N 427.283 2.044 30 10 IEEE C#CCN(C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 774338752 AWZNDZFELRNPQD-COXVUDFISA-N 443.363 2.357 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cnccn2)cc1 774581299 HATVMYJBKJVTFH-IBGZPJMESA-N 440.573 2.027 30 10 IEEE C[C@H](NCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1ccc(C#N)cc1 775164197 WJUKRCHFYMGJSZ-QMDZLVRISA-N 438.553 2.354 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(F)ccc2C)c1=O 777945652 OPNPLQVLCQWMGR-UHFFFAOYSA-N 432.476 2.385 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 779953673 JBZFUPTZBUJHMU-VPLQDYMCSA-N 439.493 2.218 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(NS(=O)(=O)CC)CC2)CCCN1C(=O)OC(C)(C)C 790317175 BGHDSRQQRXYZPB-FQEVSTJZSA-N 429.583 2.263 30 10 IEEE Cn1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccsc2)n1 790738346 REHYNSGVURMORZ-AWEZNQCLSA-N 427.515 2.432 30 10 IEEE C#CCC[C@@H](O)CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 799074108 ZRPQGVMIVMUXGF-MRXNPFEDSA-N 438.908 2.462 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(C)c3C)c2=O)cc2c1OCCO2 838892374 VRJRPXSJUYOFPI-UHFFFAOYSA-N 445.500 2.322 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1=O 906485902 ALYIKBJURKLIKP-RITMXGJUSA-N 449.552 2.189 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1 1084232518 BUZQZMBDDOLLHO-UHFFFAOYSA-N 439.501 2.380 30 10 IEEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 1084616193 NNSBRZUJPWCMIZ-UHFFFAOYSA-N 429.466 2.240 30 10 IEEE Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(N)=O)C=C1)=C(/S)NC[C@H]1CCOC1 1116351462 BGHIARPPFGPFDB-CQSZACIVSA-O 429.522 2.128 30 10 IEEE C#CCN(c1nnc(-c2oc3ccccc3c2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1122097551 QRNRHYAWSBXSBC-MRXNPFEDSA-N 428.514 2.273 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3CO[C@H](CCC(=O)OC(C)(C)C)C3)CC2)c1C#N 1129372491 JXSZTPQWIYQMKQ-HZPDHXFCSA-N 434.562 2.499 30 10 IEEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1ccccc1 1134862279 SMXONEMXMCCVLC-LJAQVGFWSA-N 448.522 2.331 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 1154722144 GHVSHUXHUPKPDH-UHFFFAOYSA-N 446.554 2.199 30 10 IEEE COc1ccc(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc1[N+](=O)[O-] 1183324821 NNYRINWDLNWMGW-UHFFFAOYSA-N 435.234 2.329 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(O)Cc1ccc(F)cc1 1184348779 UVNNQTLOECSGNA-GOSISDBHSA-N 438.477 2.273 30 10 IEEE C[C@@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1265982505 PFPZTCZXSNEJGN-SBUREZEXSA-N 428.533 2.485 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286324191 PQRGCJINHHFIFD-IBGZPJMESA-N 426.565 2.262 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1286348577 MFIYTHPRIJFIBC-IBGZPJMESA-N 447.543 2.193 30 10 IEEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCC(O)CC1 1286377208 RUVMHPIZTMNPDM-UHFFFAOYSA-N 430.556 2.338 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1286388008 KCJOULZELXGMFU-IBGZPJMESA-N 437.525 2.024 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(=O)Nc2c(C)cccc2C)CC1 1286482387 QRILPNWCHFRMLV-UHFFFAOYSA-N 443.555 2.275 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1286484100 HPBSBJHIZBWKNA-LJQANCHMSA-N 426.540 2.093 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(NC(C)=O)c2)CC1 1286493357 GJKKTUWNHOLTKT-UHFFFAOYSA-N 434.544 2.203 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286499413 RBBLNJYQQSWMLE-WIYYLYMNSA-N 436.585 2.340 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N(C)C)CC1 1286503811 JMVDRSPYAXWSOT-UHFFFAOYSA-N 447.008 2.175 30 10 IEEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCCOC)CC1 1286591768 DOBBPNJNEVUGGC-UHFFFAOYSA-N 432.956 2.059 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)COC(=O)N2 1286704491 VYAXHENNSPDFNP-UHFFFAOYSA-N 430.534 2.315 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C(C)(C)C)C1 1286810059 NIUQVGUHGBOFKZ-BBWFWOEESA-N 426.583 2.023 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286964641 JZZVYDUKGYLLCN-RYRKJORJSA-N 431.566 2.073 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCSCC2)CCCC1 1288099609 DVSZYQSEETUBAU-FQEVSTJZSA-N 449.600 2.220 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCCO1 1291279148 JERZFDJWLFOHKC-VGOFRKELSA-N 427.505 2.149 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1291388800 CUQVRUSPTHWRJG-KKSFZXQISA-N 433.578 2.485 30 10 IEEE CC(C)c1nc([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 1294301204 AHRLOARLEQWKFF-WMLDXEAASA-N 431.518 2.485 30 10 IEEE CN(C)C(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C(C)(C)C1 1295683554 NFTVIOBRYMIOLD-BNGSBABLSA-N 447.580 2.378 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1297761324 ZDXOPGXKQZKLKU-GOSISDBHSA-N 440.932 2.370 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1298209462 RLTZRXRZKNREIK-SSEXGKCCSA-N 428.562 2.079 30 10 IEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1300370787 CWRHKOOIPUJERI-UHFFFAOYSA-N 434.544 2.449 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300487252 IKSPXJBBJLUHFW-ZDUSSCGKSA-N 447.508 2.163 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300488373 RHRGYYGVRFTXNJ-KNQAVFIVSA-N 445.589 2.154 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(F)cn1 1300579500 WEWUHLZHVIFYQB-UHFFFAOYSA-N 444.518 2.497 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300740992 JPSVUJNJLVLFON-SFHVURJKSA-N 449.378 2.261 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300889700 DFPGQAUJGJKZNN-XQFWAAQXSA-N 444.624 2.249 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301309522 RYCBWKPXVITEJK-SFHVURJKSA-N 433.578 2.378 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301508336 IIOZWGRZVFRRHM-WBVHZDCISA-N 432.569 2.272 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301569560 ZDKDIFDFXAHDRC-IRXDYDNUSA-N 425.599 2.133 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301618687 VGIHZGJZWCYJJT-RXVVDRJESA-N 432.594 2.443 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCO2)C1 1302290890 WWVPTWXOUAZPIU-XMTFNYHQSA-N 446.552 2.347 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CC(=O)NCC2CC2)cc1 1302993182 ACFXNLTUUDJODH-UHFFFAOYSA-N 430.459 2.490 30 10 IEEE CC1(C)C[C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 1304235185 PGEBGHQTVQTRLY-HNNXBMFYSA-N 446.529 2.495 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1313589490 DQAGIZGXQAGLPU-GOSISDBHSA-N 440.529 2.483 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1316242419 UXOKLNFUQRHTSH-QPHCHLROSA-N 443.573 2.360 30 10 IEEE CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1343754866 YSAGGBCQGYYLRO-AWEZNQCLSA-N 447.900 2.420 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)c1 1350732734 ARRIBPMWXNTKCH-HIXSDJFHSA-N 446.573 2.477 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2([S@@](C)=O)CCC2)c1 1358903033 JFFSHAJWXMXFAM-WJOKGBTCSA-N 443.573 2.172 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1358919265 XZPYBNOQNPHAQJ-UHFFFAOYSA-N 443.573 2.272 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccc(OC)c1)N(C)C 1358940177 QCPCOAMRTIQEIF-NFBKMPQASA-N 427.549 2.311 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCCOC)CC1 1359037484 LDSGZCRWIUDWRI-UHFFFAOYSA-N 446.555 2.093 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359227538 DKYRLJNKVVSXMY-VQIMIIECSA-N 427.505 2.050 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359309760 DDCITYJJFFTUFF-INIZCTEOSA-N 442.545 2.218 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359331050 LWFDGRLYXVKKQY-ZDUSSCGKSA-N 430.456 2.115 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCCC1 1456117104 YBKYLAGYCHFPPF-HNAYVOBHSA-N 435.546 2.101 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)CC2=O)cn1 1456779102 DCOSUAISSURPLF-SFHVURJKSA-N 447.499 2.195 30 10 IEEE N#CC1(C[C@H](O)CN2CCC(c3n[nH]c(CNC(=O)OCc4ccccc4)n3)CC2)CC1 1460509907 DLEFUKANIFDWIH-IBGZPJMESA-N 438.532 2.465 30 10 IEEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1463592029 WOSLPBUDTKDFTF-UHFFFAOYSA-N 445.385 2.457 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1471753188 JFPXASJABLUQQO-UHFFFAOYSA-N 431.537 2.420 30 10 IEEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)oc2ccc(Br)cc12 1472370674 KRCFAFFDHDRSKW-UHFFFAOYSA-N 429.230 2.335 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cs1 1492687238 DLMRWBXCXMAFGS-SFHVURJKSA-N 442.570 2.448 30 10 IEEE COC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1503912587 TYNSAPOKSXRFHF-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C(C)C 1504404577 XMVCNIGWFKCXRF-QFIPXVFZSA-N 428.512 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1507523725 OWSSTIZRJCIZML-ROUUACIJSA-N 427.549 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC(=O)N1 1507709600 WCXZVGHPLRNBFF-CQSZACIVSA-N 432.322 2.072 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccs2)CC1 1507741513 VUVNXQAZTDEQEG-UHFFFAOYSA-N 444.630 2.264 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507810001 YBPAXYVXOLUOEK-QRVBRYPASA-N 440.610 2.413 30 10 IEEE C=C(Cl)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507875864 ZPWCYUFUZMDKOD-FQEVSTJZSA-N 425.961 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OCC)C1 1508079066 NCOAIOBVGWRYNZ-KRWDZBQOSA-N 427.505 2.024 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)C1 1508185226 GJBOCDSOCDQQPR-IBGZPJMESA-N 432.532 2.212 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1510118730 HDMLBJXCZDHFTG-ZACQAIPSSA-N 434.541 2.409 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1518647302 KCPGBCBOTBTMFM-WOIUINJBSA-N 433.553 2.110 30 10 IEEE C#CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCCC1 1524332394 ZDDVOTWVUFLUOE-UHFFFAOYSA-N 432.542 2.265 30 10 IEEE Cc1c(C#N)c(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)nn1C 1526701272 BHSGBFCONCYQFF-UHFFFAOYSA-N 429.278 2.072 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CCOC[C@@H]1OC 1534049520 CCGWHMKEXURLIA-BBRMVZONSA-N 427.295 2.266 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)CC2)cc1 1535242759 LMXQULOAFSGVGA-INIZCTEOSA-N 437.431 2.307 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)OCC 1535344666 FRUKMYHOOYMYIE-QGZVFWFLSA-N 428.938 2.278 30 10 IEEE CSc1ccc(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1C#N 1537956476 DJDFKUAHOJXIJT-UHFFFAOYSA-N 429.567 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCN1CCN(Cc2ccccc2)CC1 1539001685 HOPJIPWSNIWEJY-HXUWFJFHSA-N 430.560 2.011 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1539142839 WDBQNWIJTJGMCJ-SJORKVTESA-N 430.553 2.478 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1539361785 FDFPCAIHZRTBER-HNNXBMFYSA-N 436.438 2.268 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1539730005 NHSCQRYBPRJAKM-GFCCVEGCSA-N 438.381 2.380 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1539766855 YBKJQBMENSMVTJ-KRWDZBQOSA-N 426.521 2.407 30 10 IEEE COc1cccc(Cn2cccc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)c2=O)n1 1539897230 JNHPFMWNWHUILI-UHFFFAOYSA-N 433.468 2.461 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1539903554 ZWRDYQBDKOPFJL-IKGGRYGDSA-N 426.631 2.410 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 1540472643 VIBCZXPMGGYOBC-NEQMZLFVSA-N 436.487 2.416 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1540907938 NDCYPIRQDSDDCT-HNNXBMFYSA-N 439.549 2.315 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCOC2=O)CCOC1 1541728459 JQNIKNOKOUDTSA-FGZHOGPDSA-N 446.552 2.291 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1541957764 SBILRKIZBKHYNJ-MRUHUIDDSA-N 431.924 2.462 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1541999492 CDJYNIBRCJPZKA-LAUBAEHRSA-N 435.594 2.251 30 10 IEEE CN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1554193646 FJMUXVNIRMZVSL-HXUWFJFHSA-N 443.554 2.064 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1555560651 QWKIVJDHCBKYDP-NFBKMPQASA-N 441.532 2.254 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C 1557356092 DXRBQCGYCLEXBM-RDJZCZTQSA-N 435.546 2.338 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)O)cc2n1 1558514121 NEESTAVFLVFBMJ-QRWLVFNGSA-N 428.514 2.197 30 10 IEEE Cc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1cccc(C(F)(F)F)c1 1565629559 CFKNDGYEBONCHO-HTXNQAPBSA-N 433.390 2.456 30 10 IEEE CON(C)C(=O)[C@H](CCSC)NC(=O)c1cccc(CNc2ncccc2C#N)c1 1566695964 MWSIGKNOYSGOPF-SFHVURJKSA-N 427.530 2.437 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)[C@@H](C)O)c1 1586137849 HBJBGIPXXDQVKR-AUUYWEPGSA-N 438.933 2.193 30 10 IEEE COC(=O)[C@@]1(NC(=O)Cc2ccc(C#N)nc2)CCc2cc(Br)ccc2C1 1586572626 ZIYQJSAIEGIQGA-HXUWFJFHSA-N 428.286 2.475 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2cccnc2)c1 1587692398 DFCVKXZLFGRBJG-HXUWFJFHSA-N 430.512 2.476 30 10 IEEE C#CCCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1587793867 WFVCYEHQBRSRID-DEOSSOPVSA-N 449.559 2.327 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1587846984 ADUAOKWVIFLUPH-INIZCTEOSA-N 435.532 2.179 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN1CCCC1 1587970133 PHSDHRQXULEZNA-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588039941 GNQZCLWYEYPASA-VGOFRKELSA-N 446.573 2.414 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1cc(C)oc1C 1588090407 WMSWNSFUNRZPAH-DHIUTWEWSA-N 426.517 2.121 30 10 IEEE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2cnn(C)c2)C3)cc1S(=O)(=O)NCC#N 1588479847 BUVBAQYVONZCPF-OALUTQOASA-N 427.530 2.081 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CC1 1588790780 BSOOEKVRARXPSL-QFIPXVFZSA-N 434.544 2.158 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1588848424 FFNIFYORFFRLLQ-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(CCOCC)CC2)CC1 1588929936 JGCMWOJSBAGXMT-HXUWFJFHSA-N 443.592 2.345 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCNC(=O)c1cc[nH]n1 1589242483 BJOBEWRXMMLWNU-HSZRJFAPSA-N 433.516 2.311 30 10 IEEE CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1612835300 DWGHHHIZOHALID-SFHVURJKSA-N 428.562 2.335 30 10 IEEE COC[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619585737 NVESGFGEIMASIT-NBYUQASBSA-N 443.573 2.206 30 10 IEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC=CCC2)C1 1620171299 XTRMCXGRYDPMPI-MJGOQNOKSA-N 448.593 2.097 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1622469239 UECURQGWWSMFJJ-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1623528089 QXTLGBABLHWMDF-LJQANCHMSA-N 436.555 2.192 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(-n4cncn4)nc3)C2)C1 1625563907 OCCPYYFQHGQGTF-PSCUFVCCSA-N 437.504 2.065 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1628632511 NDJRUAJGYHLPAI-BIGNBACZSA-N 425.529 2.426 30 10 IEEE CCOC(Cn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1)OCC 1628900250 BMZGXLQPVMZHSW-HXUWFJFHSA-N 429.496 2.444 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(F)cccc1NS(C)(=O)=O 1631004683 YAZRSIUSUYOXAY-INIZCTEOSA-N 427.498 2.120 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 1632294745 VQCVJECZZRSBLL-AWEZNQCLSA-N 443.591 2.271 30 10 IEEE C#CCN1CCC(C(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)CC1 1635197771 WMZPSISPRKASMY-UHFFFAOYSA-N 442.361 2.319 30 10 IEEE C#C[C@H](CO)NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 1637744321 QSSPYJKARLLUTJ-CYBMUJFWSA-N 434.233 2.267 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 1639968297 FRQAJAXVLQTAAI-KRWDZBQOSA-N 449.529 2.250 30 10 IEEE C#CCn1cc(CNC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)cn1 1640013041 WMLKKRKMQGUCDZ-LJQANCHMSA-N 442.317 2.124 30 10 IEEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCCC1 1641356540 DOEXTKHVQPYYEM-UHFFFAOYSA-N 427.954 2.360 30 10 IEEE C=CCNc1ncc(C(=O)N2CCC[C@@H](n3nncc3I)C2)s1 1644374204 GUFVQCJQFZSKGQ-SNVBAGLBSA-N 444.302 2.414 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1648790489 KQBIUWNXZLMXFV-UHFFFAOYSA-N 427.420 2.490 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1649055650 CQVQTJFKOLXJGH-NRFANRHFSA-N 430.501 2.050 30 10 IEEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 1652489769 LLZFGARZYJDMQW-UHFFFAOYSA-N 431.299 2.282 30 10 IEEE CC(C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 1653072360 AQWAQWGEWWOONQ-XLWVJDPXSA-N 431.341 2.450 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(N3CCOCC3)n2CC(C)C)c1 1656140024 HDZBCJLDDHHLNT-UHFFFAOYSA-N 442.545 2.192 30 10 IEEE C[C@](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)(C1CC1)C(F)(F)F 1665030452 GCYXFJOFQVOHMI-KRWDZBQOSA-N 430.452 2.305 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)C1 1666632313 GYVQHEWLHGJYAP-GOSISDBHSA-N 436.578 2.335 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(C#N)cn1CC 1672409946 FGBSCXHEDRPNNV-QGZVFWFLSA-N 438.488 2.264 30 10 IEEE CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)c2)n1 1684862679 BULQVEWLUGHQKV-IBGZPJMESA-N 430.468 2.487 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C(C)C)CC1 1690154496 PGOXAPIMTSUIHV-UHFFFAOYSA-N 448.637 2.258 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCN(C)C)cc1 1690187936 AUYGJXQHNOSKLW-XMMPIXPASA-N 438.576 2.397 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1690497001 DWBQJRONQZFAOR-JOCHJYFZSA-N 431.512 2.246 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)(C)C)C1 1690687804 JKVOFYUAYLLEJA-JPYJTQIMSA-N 449.596 2.262 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1691001302 GSPZCSUKGRXWOA-CHWSQXEVSA-N 437.426 2.318 30 10 IEEE CC(C)C[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)N(C)C 1692055836 WXDRGEWVPGZHRL-WOIUINJBSA-N 434.585 2.024 30 10 IEEE CC(C)COCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1692446863 NRPMPNAYEXSPBZ-NRFANRHFSA-N 439.499 2.425 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1692577065 AHBMLCDHAUOLBL-VQIMIIECSA-N 425.480 2.483 30 10 IEEE Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1693042681 OHSFTTCABFGJIB-RMYFCYLKSA-N 428.518 2.315 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1697733148 VURWEDPRDLPXKT-MJGOQNOKSA-N 438.532 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Br)cn1 1705490721 PIHDSXOGYARGCZ-LBPRGKRZSA-N 446.309 2.123 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC2(O)CCC2)c1 1705505619 QUJILWQBEABCCS-UHFFFAOYSA-N 433.516 2.040 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCSCC2)CCCC1 1705546639 NKJQNJDOUOTMTK-QFIPXVFZSA-N 433.622 2.361 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1705560701 JMYHLGKDDWYDBZ-SFHVURJKSA-N 432.546 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1705596850 OTHURSQKHANFTI-IBGZPJMESA-N 447.539 2.441 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1NC(=O)CC1(C)C 1705600599 FRIJIKDLXJKPCR-OAQYLSRUSA-N 433.556 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2c(C)noc2C)CC1 1705647593 HNYFUJSYQSNULF-HXUWFJFHSA-N 440.548 2.333 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)C1CC1 1705935823 DPAZPQDCRLFKSQ-UHFFFAOYSA-N 445.593 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705937517 WQZFAOJZUQRDEC-IBGZPJMESA-N 449.621 2.203 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1705946810 RLTAYMNLJDYRHF-KOHRHEQBSA-N 441.623 2.052 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1706069971 FSAVMYLWCOJJBI-KRWDZBQOSA-N 433.516 2.338 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1710732400 FLJRGXGNNXUMNL-FPOVZHCZSA-N 440.548 2.064 30 10 IEEE COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1712231072 NTPSRZVDUMQICR-UHFFFAOYSA-N 435.488 2.091 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722362038 LXEBLXIUSGYONL-VAMGGRTRSA-N 442.585 2.431 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1722400809 ZXFSRHOYKCCDQT-NBGIEHNGSA-N 447.587 2.466 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1722419944 DSXCFAULCMWKLV-UHFFFAOYSA-N 434.525 2.394 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1722527601 OWWQUVWHHFLDSO-UHFFFAOYSA-N 431.459 2.000 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1722542819 ICIGBBVKSQEPOU-AWEZNQCLSA-N 445.014 2.025 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1722570006 RROYRAGSGPDNPH-INIZCTEOSA-N 440.504 2.010 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1OC 1722631932 ANBBQNYMXPZJHL-UHFFFAOYSA-N 443.529 2.431 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1722668831 BTPQTTJGGXWGIW-UHFFFAOYSA-N 448.618 2.206 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C[C@H]1N1CCOCC1 1727795484 ZSQMCFXZTAFZGP-CZTZKLFOSA-N 437.592 2.314 30 10 IEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1728160699 GDXFMAAZJWSICP-IBGZPJMESA-N 442.589 2.172 30 10 IEEE COc1ccc(OCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1730204180 DWHVNJJPNMXSRE-MRXNPFEDSA-N 434.504 2.051 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1730825219 MNKMKTRWOWUFQA-KRWDZBQOSA-N 438.532 2.256 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@H](C)O[C@H](C)C1 1740603680 ALZCJHNCROPMPG-HDICACEKSA-N 425.533 2.285 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1740685490 HAPMDWSNOHVUHP-KRWDZBQOSA-N 436.965 2.043 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1740691642 LCPQRFYGRRFJFM-WOJBJXKFSA-N 426.565 2.101 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740761332 MYWAYDFUKLXCJO-UHOSZYNNSA-N 437.610 2.292 30 10 IEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1740795423 UZRKPVXEDXPAOO-IBGZPJMESA-N 449.577 2.280 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1741199810 RNIRZMQSHHZFMP-AEFFLSMTSA-N 428.512 2.079 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1745013708 IUJSXJYOBYBURN-RMYFCYLKSA-N 427.534 2.131 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@@H](C)O1 1745056040 DTZSRXFQSLCJTD-AEFFLSMTSA-N 436.520 2.392 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@H](C)O1 1745056610 GXCJBXXYWJHDGQ-FUHWJXTLSA-N 426.521 2.257 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1746415362 BUODGOAWHIOVMW-HXUWFJFHSA-N 436.564 2.153 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1746985764 DRSJHWOGQWXNRQ-FQEVSTJZSA-N 436.520 2.416 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1OC 1748635240 PMOLCAHRGOJJNS-HNNXBMFYSA-N 427.505 2.046 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1748648171 ZRBUFWUQRDCAAP-CQSZACIVSA-N 432.322 2.024 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1748698290 SKXFUPBEGKFOAU-LJQANCHMSA-N 428.581 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1 1748835770 ICSSQEYFDACUDG-IBGZPJMESA-N 435.528 2.294 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2c(CC)nn(C)c2OC)CC1 1748994229 VGUWMEYVTUAYFV-UHFFFAOYSA-N 425.581 2.119 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C3CC3)c2)CC1 1749001106 IIHNFPWHPAELSS-UHFFFAOYSA-N 448.571 2.308 30 10 IEEE COc1ccccc1-c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1749025831 KHIDTPGZFOEXKR-PTJNZFQRSA-N 440.479 2.274 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749277530 FLMQMZKCWQOBSD-IFXJQAMLSA-N 437.953 2.406 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(C)c2)CC1 1749304086 UMXVYMNXEVTAQD-QGZVFWFLSA-N 437.591 2.186 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749658924 YLGHVVXCXKCJJA-MRXNPFEDSA-N 445.955 2.037 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1749672498 WBVVRXSVBQKRHO-UHFFFAOYSA-N 442.539 2.051 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)C1 1749710390 WSCLCINUHHWHLQ-IYWMVGAKSA-N 430.597 2.379 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOCC(F)F)C1 1750380513 SNQLSYDHWYJCLH-LJQANCHMSA-N 447.425 2.035 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CC1 1750385512 PUAKZWPUYMFVJB-QGZVFWFLSA-N 426.496 2.481 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1750386116 HIULOOKLHLSQPT-ZDUSSCGKSA-N 430.394 2.120 30 10 IEEE CC(F)(F)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1751180802 NRRHGHMZEHEMGL-QGZVFWFLSA-N 430.459 2.403 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCSC1 1760161082 WSCPNLDFUKPTNS-NRFANRHFSA-N 447.008 2.368 30 10 IEEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760416165 VUZSBJFPHRVDRP-LJQANCHMSA-N 438.532 2.282 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC(F)(F)CO1 1760457463 SXLHMZOQSVXGNV-OAHLLOKOSA-N 441.504 2.242 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(C)C)CC1 1760519739 NJOWEEXCDZGKHW-UHFFFAOYSA-N 442.564 2.043 30 10 IEEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1760775251 PTXNBURRSXBBKQ-KKSFZXQISA-N 434.516 2.481 30 10 IEEE CC1(C)SCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1761566963 IDKCAEZZZIODNG-LSDHHAIUSA-N 427.534 2.186 30 10 IEEE CC[C@H](C)c1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763656048 NHINQHFSNYPIFV-RJCBAWPRSA-N 428.537 2.325 30 10 IEEE CCN(CC1CCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766806690 MVJXIXNXHRROQG-UFVMTTLYSA-N 428.537 2.325 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1774180682 VRHDAXBFXABFAI-QGZVFWFLSA-N 426.517 2.054 30 10 IEEE N#Cc1ccc(CC(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)cc1 1852724710 OYIWVNWVQKUDSB-OAQYLSRUSA-N 440.521 2.250 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855723091 JFGNZRAMGZUFLV-CYBMUJFWSA-N 447.900 2.282 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cccc(=O)o1 1856994038 DPPIBUBJDKLASS-HNNXBMFYSA-N 428.466 2.099 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862479664 NFJFWTICNYDJNI-NRFANRHFSA-N 436.464 2.481 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc(OC)c(O)c(OC)c2)c1 1862708021 KNYTYTBCZGVZHG-LJQANCHMSA-N 443.452 2.379 30 10 IEEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CSc2nnnn2C)cc1=O 1870300794 VNBQBBXKXLBDRQ-KRWDZBQOSA-N 431.905 2.063 30 10 IEEE C#CCOc1cn(CCCN(C)C)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870561880 HGVNRPXCQSGETP-UHFFFAOYSA-N 438.572 2.143 30 10 IEEE COc1ccc(CN2C(=O)CCC[C@@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1892280489 UVACZYKOYQHLFI-OAQYLSRUSA-N 433.512 2.192 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)CC1 1892399976 PGTYICKLRFEBOD-UHFFFAOYSA-N 444.451 2.034 30 10 IEEE C=CCC1(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2009832399 ASOFBUVGROSGCB-CQSZACIVSA-N 441.525 2.284 30 10 IEEE COC(=O)[C@@H](CCNCc1occc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2039820476 CDUBTFBQHWQEPO-OAHLLOKOSA-N 438.330 2.125 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC=CC1 2060637709 NSPKARZEMNLJAX-UHFFFAOYSA-N 430.314 2.328 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H]1CCCO1 2141675720 SLSIQUMJGQARRB-NVXWUHKLSA-N 447.341 2.392 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229102304 VVKCYYJDVXGMMI-HOTGVXAUSA-N 425.323 2.385 30 10 IEEE C[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247777399 MLTAYZSISAJWKS-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NCC(=O)NCc3ccccc3)c(Cl)c2)OC1(C)C 2247826604 WZNLAXTXVPLLSW-UHFFFAOYSA-N 429.713 2.080 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628422 HXULPWAQAHMUPG-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267130120 KHDDRDDNMJQKKI-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CCC2)C1 2267139592 IOBHITNQWDFCEH-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C 2296228072 VQPHUCCDGCYPGZ-KZNAEPCWSA-N 439.350 2.385 30 10 IEEE COc1ccc(C(=O)C=C2Nc3ccc(C(=O)N4CCOCC4)cc3NC2=O)cc1OC 2297341522 DDPMREZNEOXFCE-UHFFFAOYSA-N 437.452 2.307 30 10 IEEE CC1(C)OB(c2cc(=NC[C@H]3CN(Cc4ccccc4)CCO3)[nH]cc2F)OC1(C)C 2322293915 MMQYLQUCEFBZMP-SFHVURJKSA-N 427.329 2.255 30 10 IEEE CC(C)Oc1ccc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1Br 2323028674 UEEOWMHZMRBXDX-UHFFFAOYSA-N 441.307 2.376 30 10 IEEE CCOc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)cc1 59886618 VYFMIDMRPCYWRL-KEBDBYFISA-N 444.521 2.223 30 10 IEEE CCOC(=O)[C@@](C)(NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 430278677 QXVWKDPEZRLGJN-QFIPXVFZSA-N 443.525 2.358 30 10 IEEE C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 437562485 XGJKOCPHZNTQSH-NQIIRXRSSA-N 440.569 2.277 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCN(CC)CC1 460390060 VNJAPXVAUCGURT-UHFFFAOYSA-N 444.605 2.448 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)ccc1F 481473720 OBDTVXGNNHJIDA-INIZCTEOSA-N 438.278 2.322 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 486491391 BPXGLOZYXLODIU-PMACEKPBSA-N 433.512 2.246 30 10 IEEE C[C@](C#N)(NC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)cc1)C1CC1 507421965 MUGVAHMKTAZUSO-ZRZAMGCNSA-N 425.508 2.245 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508944158 BPVCWZIESONIBP-NRFANRHFSA-N 446.577 2.199 30 10 IEEE CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522802414 PYLPRTKGCKGGJG-ICSRJNTNSA-N 448.589 2.415 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 539160337 GCFBEYWUTQISBR-UHFFFAOYSA-N 444.582 2.403 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccccc3)c2=O)c1 539597774 SBVHCCLTBSLNCN-UHFFFAOYSA-N 433.533 2.398 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 543860864 QAYUNBQKDFCRER-QWHCGFSZSA-N 447.538 2.177 30 10 IEEE C=C(C)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 558985834 FAJFWAMNQAAWAY-UHFFFAOYSA-N 432.506 2.151 30 10 IEEE C=CCOc1ccccc1CN(C(=O)Cn1nnn(C2CC2)c1=O)c1ccc2c(c1)OCO2 580500364 IGUUVIWJESWQRI-UHFFFAOYSA-N 449.467 2.302 30 10 IEEE C=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OCC 734024605 NNTNJAMIDMDFEE-AWEZNQCLSA-N 431.894 2.073 30 10 IEEE N#C[C@H](C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1nc(-c2c(F)cccc2F)cs1 744073266 CEJNQDVXJFGBDV-CRADANHASA-N 443.431 2.427 30 10 IEEE Cc1nc2ccc(C=NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2s1 754914191 QNJSWAQBMYQWQX-UHFFFAOYSA-N 430.559 2.382 30 10 IEEE C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(S(C)(=O)=O)cc1 758317457 ICIVKOJYEISZDQ-LXZKKBNFSA-N 436.534 2.209 30 10 IEEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 767699851 NXVKVCFKJRHWRX-HNNXBMFYSA-N 428.938 2.318 30 10 IEEE CCN(CC)CC#C[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCSCC1 770804377 OQRGNUSUGARTRH-OAHLLOKOSA-N 430.617 2.376 30 10 IEEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 774147876 XUTXRTSUODFQQF-TZIWHRDSSA-N 433.574 2.054 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774221446 ZNKGBEMQSGUSNV-NVXWUHKLSA-N 429.464 2.116 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 789322182 BPFJDZDRNRKHOF-OQOKOFKUSA-N 441.576 2.148 30 10 IEEE Cn1ncc(-c2csc(=NCC(F)(F)F)n2N=Cc2ccc(S(C)(=O)=O)cc2)n1 789992625 WXOKMFSCBSOHTE-UHFFFAOYSA-N 444.464 2.094 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@](C)(O)Cn2ccccc2=O)c1 790677968 JRTSHPORZKEZTN-FDDCHVKYSA-N 425.485 2.095 30 10 IEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 800787230 UUGWVPCDIXXQIH-QAPCUYQASA-N 429.956 2.168 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2)CCN1C1CC1 802245577 RPITYWKZGMFSFR-IBGZPJMESA-N 428.500 2.150 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 804865546 KGVXNZDMAQULOQ-OAQYLSRUSA-N 441.553 2.141 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 809894358 BLYQJNSARYODDZ-GOSISDBHSA-N 447.561 2.294 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 812177747 OLHGVMJBRGEMSD-YESZJQIVSA-N 437.541 2.013 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)s1 918728988 AFFWLVUQUFGZDN-CQSZACIVSA-N 431.583 2.362 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)cc1 1084366086 NLDGYGIVYVNVLX-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE CCOc1ccc(C=NNc2nc(SCC(=O)NCc3nnc(CC)o3)n[nH]2)cc1 1084494758 KLFYTPYJNUMHJM-UHFFFAOYSA-N 430.494 2.003 30 10 IEEE C=CCN(C(=O)CCc1nc(O)c2cnn(C)c2n1)[C@H](Cc1ccccc1)C(=O)OCC 1128112291 QSMXKFPHEGVNSH-GOSISDBHSA-N 437.500 2.191 30 10 IEEE CCN1CCN(CCNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1136660279 JLAYVDCUWMVRCZ-OAQYLSRUSA-N 441.576 2.146 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)CC1(C#N)CCOCC1 1140833892 SHKHNUPMJDCRCQ-CQSZACIVSA-N 425.323 2.435 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)n1 1143259342 ISTDAMJLWSCMIC-NXEZZACHSA-N 446.480 2.053 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)n1 1143259347 ISTDAMJLWSCMIC-VHSXEESVSA-N 446.480 2.053 30 10 IEEE C=C(CCN(C)C)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1149695360 SXYXERMMCOKVFN-UHFFFAOYSA-N 428.537 2.416 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCOC4(CC(C(=O)OC)C4)C3)ccc2c1=O 1161791724 RCBKEXFIJRDXGN-HVPFBLEYSA-N 443.525 2.102 30 10 IEEE COC(=O)[C@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1174680071 BLFPDHBDFLOZEV-QFIPXVFZSA-N 428.464 2.307 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1203384216 FJTHERGKCUBYFD-PBHICJAKSA-N 425.470 2.324 30 10 IEEE COc1ncc(NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)cc1C#N 1220041990 GZIWSDZXAITCNP-HNNXBMFYSA-N 430.262 2.429 30 10 IEEE N#Cc1c(CCCNC(=O)NCc2ncn(-c3ccccc3)n2)nn(-c2ccccc2)c1N 1251449163 LMAUODABUDSRLM-UHFFFAOYSA-N 441.499 2.339 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@]2(O)CCO[C@@H]2C)c1 1286308046 DZMCCKSYBLQUPP-QZMQVMSPSA-N 425.533 2.388 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1286314483 DLFKIWZHOQVPMW-OAQYLSRUSA-N 444.536 2.441 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286378565 QHVSXXSYMXZYTH-UHFFFAOYSA-N 430.555 2.482 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286406025 MVDAKAAKECGMMN-GOSISDBHSA-N 435.425 2.420 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1286490038 GJGCFNYCFYQWQW-INIZCTEOSA-N 444.580 2.282 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1286505412 ZCVUIWCSGJKLSZ-VQTJNVASSA-N 439.585 2.434 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1nc(CCOC)no1 1286564777 YUYLYPGOAFOYLN-JXFKEZNVSA-N 441.536 2.473 30 10 IEEE C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccc(C#CCO)c4)CC3)cc2NC1=O 1292805093 HRTWTABAOAVNNA-MRXNPFEDSA-N 432.476 2.485 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1299682471 CSUMMBDXTHUEDP-VQTJNVASSA-N 439.564 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1300324705 KPQZBGMTIGEZBN-CYBMUJFWSA-N 425.411 2.002 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300506388 RVSZGSKRKJAYJX-UYAOXDASSA-N 444.557 2.122 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCOC[C@H]2C)CC1 1300709677 AUCFNDYBFXLHBQ-UXHICEINSA-N 439.560 2.294 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301075928 UPJWTKAEZGKKGY-UHFFFAOYSA-N 437.953 2.090 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301609783 OGPHPKCWPJNSAP-KRWDZBQOSA-N 444.536 2.141 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C1CC1)N(C)C 1301967372 CENPWACOQOJGAD-YLJYHZDGSA-N 437.596 2.388 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COCCO1 1303063591 GSEBGHJNFAEKNU-QGZVFWFLSA-N 427.509 2.107 30 10 IEEE Cn1cc(Br)c(=O)c(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1310534934 CVCJUXHLOLWHGE-OAHLLOKOSA-N 444.289 2.337 30 10 IEEE CCc1ccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(CC)CC)cc1 1312786191 KWBABJBTQLGDFH-ONTIZHBOSA-N 432.590 2.212 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)CC(F)(F)F 1314861588 BHBOGUWHOZXSRN-SJORKVTESA-N 447.465 2.026 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1315771438 XRVPITVGQKQKMW-QHCPKHFHSA-N 441.532 2.397 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)Br)C1 1316526424 JYTOIQQKAKNCBW-AWEZNQCLSA-N 444.215 2.355 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 1319571628 JEERWBISNOSIKZ-ZBFHGGJFSA-N 444.528 2.355 30 10 IEEE CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1349932954 WKAPZVMKXAGUCD-CQSZACIVSA-N 432.864 2.412 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1358884253 MJAPHRBGPYQEQS-QGZVFWFLSA-N 426.546 2.142 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358965419 UYUDPRFYSAQNBJ-HXUWFJFHSA-N 427.574 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1358968265 FFMSREJVNNNOEW-UHFFFAOYSA-N 444.326 2.492 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CSC)cc2)CC1 1359028145 IKZDDDSDZLBWKB-UHFFFAOYSA-N 426.590 2.083 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(CC)s2)CC1 1359028839 GAIKWMQGCVPECF-UHFFFAOYSA-N 435.557 2.353 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@H]1C 1359293433 PTALOEFSBCOXHQ-GFCCVEGCSA-N 439.383 2.290 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1359297913 GSLJCVBNNJGMPF-UHFFFAOYSA-N 442.911 2.067 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2COCCO2)CCOC1 1360340755 FKZSSHCYYJZOTK-VLCRHTCISA-N 433.553 2.254 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1360471061 ZUTDAPZEKBJJRQ-IRXDYDNUSA-N 446.577 2.360 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(O)(CN(C)C)CC1 1454291363 BXEYUWHPUGOATM-UHFFFAOYSA-N 440.338 2.013 30 10 IEEE CCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1455335960 VTARJFBTLWALLL-AWEZNQCLSA-N 432.351 2.405 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)c1 1465273205 GPLBNXPBTQCBJE-UHFFFAOYSA-N 446.550 2.485 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)N3C(=O)OC(C)(C)C)CC2)c1C#N 1466920962 BRWCQGSSBYXJIQ-RBUKOAKNSA-N 442.564 2.427 30 10 IEEE N#C[C@@]1(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CCc2ccccc2C1 1466977998 BJTJSQFIVUJZIA-NFBKMPQASA-N 439.537 2.325 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 1469386495 DXAWIRDZPUVYQN-HOTGVXAUSA-N 431.961 2.412 30 10 IEEE C#C[C@H](NC(=O)N1C[C@@H](CO)C[C@@H](OCCOC)C1)c1ccc(Br)cc1 1470664387 ZFDPJMOKWSAIKZ-QGTPRVQTSA-N 425.323 2.179 30 10 IEEE C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1471245483 HTGKAXBRPDRYIR-CVEARBPZSA-N 429.583 2.407 30 10 IEEE CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1497353942 GTVWVRQNUFWIFZ-ROUUACIJSA-N 441.536 2.296 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1501406658 DFDAQTUFQLDNMI-QQMNAOGKSA-N 438.532 2.068 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1503116808 FZBODWYUKSJEFU-QZTJIDSGSA-N 426.521 2.078 30 10 IEEE CN(C)c1cccnc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1503391051 BUCTUDVVGXWGJH-UHFFFAOYSA-N 444.543 2.418 30 10 IEEE CN(C)CC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503399735 PPOLTAMKHDPMRJ-INIZCTEOSA-N 439.564 2.295 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc2cc(OC)ccc2n1C 1507515231 WCNOKLHTDRWUPY-HNNXBMFYSA-N 444.499 2.327 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1507538029 KESLLZQLIMQDML-IRXDYDNUSA-N 433.553 2.304 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@](C)(O)CCOC)c1 1507547121 JRXJEDYTICWZTI-HSZRJFAPSA-N 427.549 2.419 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507628768 IHEQAYPUQVEDRV-GOSISDBHSA-N 445.589 2.420 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507629849 XBAJTWVEXJPVAB-WMZOPIPTSA-N 433.578 2.204 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)F 1507700776 VHKQBSILGCMXGR-LBPRGKRZSA-N 433.431 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)N(C)C)CC1 1507742584 LWFASBRSFMULPE-KRWDZBQOSA-N 442.995 2.438 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)C(C)C)CC1 1507883963 BWZFUAHVKWFYCM-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(C(C)C)C2)CC1 1507896145 HNFRPMYJYWLVPC-MJGOQNOKSA-N 438.642 2.411 30 10 IEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507964736 FZACLDAXUJYARO-IBGZPJMESA-N 445.589 2.351 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508051356 UHBNXUWGOCKKEV-JOCHJYFZSA-N 440.592 2.371 30 10 IEEE CC(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508397298 CVSWUSLVCBXTGM-UHFFFAOYSA-N 445.527 2.124 30 10 IEEE CCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1514839370 NCWZMMXHKNZZQY-HTAPYJJXSA-N 440.552 2.105 30 10 IEEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1515366445 BUMJXVOMFKQWRZ-HXUWFJFHSA-N 439.564 2.128 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1515795740 DIPZIZPPMAVPOL-UHFFFAOYSA-N 449.563 2.023 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC(C)CC2)CCOC1 1516228892 OUHHUBOKYDOGEP-OFNKIYASSA-N 446.596 2.171 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1516836897 ZTHZFBOGFOFUID-INIZCTEOSA-N 446.577 2.150 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1517900327 KBHDRKKNVFFVCM-MZKRTTBSSA-N 441.532 2.274 30 10 IEEE CCOCCOC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1527154803 XRVMACDYMPPAQV-UHFFFAOYSA-N 449.573 2.003 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCC1 1538983737 WFNAVEAIVPZEQD-QGZVFWFLSA-N 445.589 2.349 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1539179797 RTUPSTRLMLDQRE-AQNXPRMDSA-N 428.558 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@H]1C 1539300784 HZQTUJOWZFRYIC-MGPUTAFESA-N 446.349 2.049 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1539342946 CGRFHPFJFSLQIC-ZDUSSCGKSA-N 425.942 2.058 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCOCC2)CC1 1539441811 VVXUZUPHFYXTQD-GOSISDBHSA-N 428.968 2.074 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1539454072 VVFKEVDZLYIXHV-UHFFFAOYSA-N 438.551 2.070 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCC=C)CC1 1539484359 MGFVSEDBFVKGJZ-UHFFFAOYSA-N 431.544 2.449 30 10 IEEE N#Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc2n1CCOC2 1539545402 HHECZOXVMBSKQJ-UHFFFAOYSA-N 429.502 2.102 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)CC1 1539603476 QTVRTVALVRBZMJ-UHFFFAOYSA-N 441.399 2.311 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539820380 MWTRAULPQDZFRO-MDKPJZGXSA-N 439.988 2.228 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC(C)C 1540063750 ABRNMVZBZNHUSA-UHFFFAOYSA-N 429.550 2.081 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1540901285 YSZFFKKHDAJGKG-GOSISDBHSA-N 445.589 2.229 30 10 IEEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1541087781 OURSLRYKSUBKKS-UHFFFAOYSA-N 446.559 2.383 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H](C)C#N)CC1 1547703800 JSJUOBWXXKGADZ-DLBZAZTESA-N 430.626 2.256 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1547764371 GGALXYGZIABSOD-UHFFFAOYSA-N 443.502 2.120 30 10 IEEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1557384260 LFBOBUAMTWLZEG-HXUWFJFHSA-N 431.514 2.279 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1565063229 KGAANKLERCCJAH-VQIMIIECSA-N 446.573 2.332 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1565332619 AUPSKLTVNFVRKL-UHFFFAOYSA-N 435.546 2.451 30 10 IEEE C[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)CC(=O)N(C)C)cc3)c(C#N)cc2C1 1586400800 IRCBKAHFONFKSQ-AWEZNQCLSA-N 440.525 2.192 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OCC 1587285225 BLOGYWAEUGITFW-QGZVFWFLSA-N 437.905 2.108 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1587580210 NQIHMSJLWCNEGQ-KJEZJMDVSA-N 432.546 2.340 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1587870230 XKUAZJVJEQYFOG-UHFFFAOYSA-N 440.573 2.334 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588045519 MDAHLNSRGYUUHL-QRVBRYPASA-N 443.573 2.172 30 10 IEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1588064814 PKLMJJJWGLPSRQ-SFHVURJKSA-N 441.557 2.013 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1588162118 JTNCRBBAXZZGDU-IBGZPJMESA-N 426.542 2.063 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2c(CC)nn(C)c2OC)CC1 1588884669 JIDKDZRNXLRCAJ-MRXNPFEDSA-N 441.580 2.110 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C)CCC2)CC1 1588891683 SBCKNGFXFUJLTC-XMMPIXPASA-N 443.592 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCSc2ccccc2)CC1 1588923589 FTPKTZHCEIZMSF-UHFFFAOYSA-N 447.568 2.493 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCC(F)(F)CC2)CC1 1588923687 JBLMEMWRHAIXGJ-UHFFFAOYSA-N 445.518 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[C@@H]2CCOC2)CC1 1588954535 IFKGUTGLWFXYQF-OAQYLSRUSA-N 435.572 2.456 30 10 IEEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1594752656 NVSTZUBTPKSKAL-UHFFFAOYSA-N 433.578 2.120 30 10 IEEE C=CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1594773802 GWWBZNPEMBDQBP-HXUWFJFHSA-N 426.583 2.298 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N2CCOCC2)C1 1595706464 LQFNTALJVTUFIL-RBUKOAKNSA-N 427.549 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccccc2OC)CC1 1595789628 YNWTVSIXVBSDNK-UHFFFAOYSA-N 431.562 2.092 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1596781783 DYTYLPYVJWBKET-QGZVFWFLSA-N 437.548 2.054 30 10 IEEE C[C@H](Sc1nc(CC(=O)Nc2ccc(Br)c(C#N)n2)cs1)C(N)=O 1610905690 FKCMSNUSZAFZAU-ZETCQYMHSA-N 426.321 2.319 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N(C)C 1611751520 FURKGQWJACEAPA-HUUCEWRRSA-N 438.529 2.187 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC(C)(C)O1 1612910675 HQNNDTSIMOYSBJ-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@]3(C#N)CCc4ccccc4C3)CC2)cc1 1616666393 WYHCQMDIUHKKNP-ZXAYODBVSA-N 444.535 2.467 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(N3CCOCC3)CC2)cc1 1626285112 CFDVPMXFSHXOAO-FCDQGJHFSA-N 434.562 2.083 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 1627412436 JWTASGSVNDJVTO-UHFFFAOYSA-N 431.448 2.402 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)Cc2nc(O)c3ccccc3n2)s1 1628911610 AVKKIRJMNOYBRJ-UHFFFAOYSA-N 446.554 2.452 30 10 IEEE CN(C)C(=O)NCCN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1630687813 GXJPIFUFODRCDL-SFHVURJKSA-N 429.521 2.122 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704498 MYZKSYSFIXVAFR-UHFFFAOYSA-N 446.598 2.191 30 10 IEEE COC(=O)[C@H](CC(F)(F)F)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1633566341 LEAUCCWTHNHDHT-LBPRGKRZSA-N 434.212 2.367 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCSCCCNC(=O)OC(C)(C)C 1636270873 QCTLOTYHVATPQE-MRXNPFEDSA-N 448.593 2.423 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 1639578634 QLODDKYYDNWUOR-QZTJIDSGSA-N 435.546 2.164 30 10 IEEE COC(=O)c1cnc(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)s1 1640737403 DVYRXCICPAFXFX-UHFFFAOYSA-N 447.538 2.122 30 10 IEEE N#CCc1ccccc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1643192813 RFACUSJRPUQPRR-UHFFFAOYSA-N 433.253 2.110 30 10 IEEE C=CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1652012996 LFPLSLUKTZMMQO-MRXNPFEDSA-N 425.503 2.026 30 10 IEEE N#Cc1cc2c(n(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])c1=O)CCN(Cc1ccccc1)C2 1652112029 FHEMJTKPAXCNTN-UHFFFAOYSA-N 443.463 2.334 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1657128770 KSBFBEWFLRCVHK-UHFFFAOYSA-N 442.541 2.061 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1687322545 KIJRLOWBQKAYRU-IRXDYDNUSA-N 441.594 2.244 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H](C)N1CCOCC1 1689864439 AFGRNGNHGKKTMO-RTBURBONSA-N 427.549 2.434 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1689906500 NIHCUXIMEDKJIE-HSZRJFAPSA-N 446.596 2.364 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)cc(F)c1 1690155742 NGEKBDRUEDDBEX-CYBMUJFWSA-N 443.545 2.169 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)c1ccccc1 1690325619 CLNGXWXKFSOQOF-GOSISDBHSA-N 436.520 2.060 30 10 IEEE CC(C)C[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)N(C)C 1692055837 WXDRGEWVPGZHRL-XQBPLPMBSA-N 434.585 2.024 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1692617128 QIXINUJHOQDRTC-UYAOXDASSA-N 438.532 2.259 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1698061839 WAJLMXHPBYEFEW-HXUWFJFHSA-N 440.548 2.289 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1O 1698442712 JWCPDVSHKGBZOU-UTKZUKDTSA-N 447.543 2.445 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1705495810 VVZKUZSDIYSXFD-BBTUJRGHSA-N 425.533 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC1(S(C)(=O)=O)CC1 1705587521 YLNKKIHPYOTGCJ-UHFFFAOYSA-N 426.542 2.070 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705598156 CIYQTJXILINPQT-YADHBBJMSA-N 427.593 2.382 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705754707 DOMNNBBEMFACIA-HJWJTTGWSA-N 444.001 2.378 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705906070 RANHDNQDSVPCLH-GOSISDBHSA-N 440.577 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CCOCC2)C1 1705920232 SZAGQAUKFWJIMB-YLJYHZDGSA-N 442.520 2.355 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCCC2)C1 1705922429 MWYPZFOYMSMPSE-IBGZPJMESA-N 427.553 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1Cc1ccccc1 1705934103 BEASJHMKBJDNAZ-RBUKOAKNSA-N 443.573 2.042 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCN(C)C1 1706068256 HFNVEFIZZXTXQD-IFXJQAMLSA-N 433.354 2.370 30 10 IEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)cc1 1706472946 BVBBMOQEQYTIKU-IBGZPJMESA-N 447.561 2.143 30 10 IEEE COc1ccccc1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1711989618 UTFMHGQJFHXNCU-AUSIDOKSSA-N 441.532 2.299 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1712510937 UKXJTAZZYZSFCO-APWZRJJASA-N 440.548 2.425 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CC2)c1 1722305798 MFCGVBCLTGMLIS-UHFFFAOYSA-N 443.573 2.209 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722320967 QANQRTRRYVISNS-MRXNPFEDSA-N 428.562 2.036 30 10 IEEE C#CCN(c1nnc(CC)n1CCCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722368809 WIIPDUDWYPKISQ-GOSISDBHSA-N 440.573 2.216 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C)C1CC1 1722645998 BUSINXLNCVMEFC-MRXNPFEDSA-N 444.605 2.474 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722693487 PQZNLEODEKDEGA-QGZVFWFLSA-N 449.515 2.027 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1722997151 VTHLWDCGNJCURS-MRXNPFEDSA-N 431.541 2.274 30 10 IEEE COc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1730132073 LNDDBPOSMIUQQN-HKUYNNGSSA-N 427.505 2.161 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730415407 RGLYBDNIQNZODV-KXBFYZLASA-N 426.521 2.063 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN2CCCO)C1 1731179456 CFHMXMJGCZFWTC-JXFKEZNVSA-N 433.919 2.282 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1740567795 PIXNSLCGMOSFLG-UHFFFAOYSA-N 448.369 2.311 30 10 IEEE C#CCCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740579126 PCSQGXQXWDGYBJ-XMMPIXPASA-N 445.608 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1740637002 LVQWPHAJQAWIPX-UHFFFAOYSA-N 443.555 2.008 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(OC)C2CC2)CC1 1740707247 VNBPDDVQTYUVNU-DEOSSOPVSA-N 436.560 2.045 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1740774620 WNZNGXSIAVUGII-MRXNPFEDSA-N 435.550 2.043 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(N)=O)cc2)CC1 1740839522 KRWXTNQDOGCIGX-KRWDZBQOSA-N 444.561 2.122 30 10 IEEE CCc1nnc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1744522338 XNHMJOQWBFITRV-RBUKOAKNSA-N 435.529 2.223 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746285660 YIBWFVOJIDMUBM-UFVMTTLYSA-N 428.537 2.467 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)C1 1748142958 BJFVALCVTXDXGC-QFIPXVFZSA-N 426.521 2.118 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1748690175 NPDVOUANRPLKOI-YMUULXQMSA-N 447.580 2.437 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(F)cc2)CC1 1748977993 HEUUBXXTUBSDSC-QHCPKHFHSA-N 427.524 2.067 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749032809 QNUTXURQKJFYCQ-UHFFFAOYSA-N 439.589 2.353 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN(C)S(=O)(=O)CC 1749061007 IFUISBKRVGGWOZ-JOCHJYFZSA-N 440.573 2.480 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749128046 RDBDZNJUKFQGKG-ICSRJNTNSA-N 441.580 2.355 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749255664 GQQCQKGTVSGIMN-GJZGRUSLSA-N 438.893 2.215 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749411664 CMEQKDULXNFJSG-QGZVFWFLSA-N 446.577 2.016 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749658504 LBWZSMRXUQQQGK-HNNXBMFYSA-N 445.545 2.253 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749671747 HRAXKRXCEADRAJ-GOSISDBHSA-N 444.967 2.320 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1749684246 ULEYXIRIWSJUKW-IBGZPJMESA-N 433.516 2.453 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1749792706 SEUQGQDESQPBKJ-KRWDZBQOSA-N 432.475 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCO2)C1 1750510460 RMTJDZOOPVHTKI-XMTFNYHQSA-N 444.536 2.123 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H](C)N2CCCCC2)CCOC1 1751027552 XGVXLCZCDVBNJM-SXWKCWPCSA-N 446.596 2.312 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1751100840 FUVYRLCSAKGXLC-GFCCVEGCSA-N 426.431 2.293 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)o1 1751505895 DSWSPHGDYXAHOE-UHFFFAOYSA-N 440.529 2.390 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1760129250 HRDUHSPQENQWRO-UHFFFAOYSA-N 437.548 2.030 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1=CCc2ccc(OC)cc21 1760175411 JEAZLVGIAAKTCC-SFHVURJKSA-N 426.542 2.288 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760260682 BRQOSGKAERFMSC-YKSBVNFPSA-N 425.577 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C/C=C\c2ccccc2)CC1 1760264980 JLBLUXZKJURBKJ-FLIBITNWSA-N 434.544 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2CCCC2)CC1 1760272092 YLPYWWOXRRSVQG-UHFFFAOYSA-N 426.609 2.463 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1760381422 LUHTZQHSNRAKDW-UHFFFAOYSA-N 429.546 2.144 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCOC1 1760557367 JEHAFFIKBFITEC-SFHVURJKSA-N 434.562 2.300 30 10 IEEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@H](C(F)(F)F)O1 1763044823 WJIXKEKMIQVUBX-SWLSCSKDSA-N 438.410 2.183 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CC)CC1 1766608945 NIINUSKJZDTCKQ-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C[C@H]1C 1767117043 DDIPHLAEUCHHLS-LJQANCHMSA-N 437.592 2.458 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](CC)N1CCCC1 1767931708 AALDGEXSOIUPRR-FQEVSTJZSA-N 438.580 2.282 30 10 IEEE COCc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769358138 MPNCSYHTQNJRRM-NZQKXSOJSA-N 441.532 2.242 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1769736489 YIFJIFYZMONHLY-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1770396257 AOWBEWQOBUWMHT-FQEVSTJZSA-N 433.509 2.220 30 10 IEEE COCC1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1770842239 FYYHEOFHNRVTSP-QGZVFWFLSA-N 445.495 2.168 30 10 IEEE COCC1=CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770867167 PTDDHSVLUHUSLJ-VXPUYCOJSA-N 428.537 2.176 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)n1 1771001375 OFHODMVWQAMALW-CRAIPNDOSA-N 437.504 2.450 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772791793 YYCGOKRHYLYLIU-MRXNPFEDSA-N 441.465 2.038 30 10 IEEE Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c12 1851824090 FTJQZYDIALUVNL-UHFFFAOYSA-N 445.527 2.400 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc(C#N)nc4)CC3)CC2=O)cc1 1851832957 MZFOGOYZSTYFCZ-HXUWFJFHSA-N 445.523 2.488 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(C)C)CC2)n1 1852827360 ARVBBUGZTNZSFQ-KRWDZBQOSA-N 437.466 2.438 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)OCCOC)cc21 1858707051 IWNFGABWLMLGQW-UHFFFAOYSA-N 441.440 2.450 30 10 IEEE CCN1CCN(C(=O)[C@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868784471 XLDIQGGATTVAIP-TZIWHRDSSA-N 445.633 2.330 30 10 IEEE CCCN1CCN(C(=O)[C@H](CC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868797020 ZYEQDSIQDYUFLG-PMACEKPBSA-N 445.633 2.474 30 10 IEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1870137176 FFLMQHAYPCBVRB-UHFFFAOYSA-N 439.428 2.434 30 10 IEEE C#CCOc1cn(CCCOC)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870559596 IPWBCKSZJWXNRY-UHFFFAOYSA-N 440.500 2.127 30 10 IEEE C=CCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCN(C(=O)OCC)CC2)n1 1871529295 QUIHYHMWEGCNIN-UHFFFAOYSA-N 427.509 2.312 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(O)c2)cc1 1874292676 KZYVUVOZGJYHQQ-LSHDLFTRSA-N 443.485 2.040 30 10 IEEE CCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cc1OCC 1874435011 IZSGYAVRBMGHAO-LPYMAVHISA-N 435.550 2.458 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc2c(c1)OCCO2 1874445277 UXKOLFMQNVTQKL-BFTVFPACSA-N 431.518 2.401 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)CC1 1889405713 XWTAYOZJSSGQNY-VWLOTQADSA-N 439.600 2.337 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1 1891396231 WIZXAIOWJJXUNC-INIZCTEOSA-N 432.477 2.111 30 10 IEEE C=CCC1(NC(=O)[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2020789411 HXSIQLDDHXNYOU-JOCHJYFZSA-N 439.553 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2060639140 FFKPIYNUIZABIU-ZIAGYGMSSA-N 432.330 2.264 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2067382625 GWGPAKQFZMSNQS-MSOLQXFVSA-N 432.370 2.446 30 10 IEEE Cc1nc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2116142613 OVODKHAASSVPSN-LEWJYISDSA-N 436.365 2.174 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2124535995 YNBWRGWPEJMZEO-UHFFFAOYSA-N 445.369 2.381 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2255632826 RZMUFHDTHMZDMM-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC=CCN1C(=O)OC(C)(C)C 2255633541 CRPYNZWBQLABMP-UHFFFAOYSA-N 432.330 2.192 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808820 OOJAEMFZYSHDOA-HUUCEWRRSA-N 431.342 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255811065 HSBUMEZWBHIGLN-GJZGRUSLSA-N 429.326 2.215 30 10 IEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)C1 2256617572 KJVAQEAAIYSESR-UHFFFAOYSA-N 436.358 2.396 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2256926546 BGKXGPLXWBGGSB-KDOFPFPSSA-N 428.294 2.102 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256928899 XEHWJDTVWZDAOR-CJNGLKHVSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267092947 PPCPPBUQEIFUMI-IMJJTQAJSA-N 446.357 2.227 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2267120234 HFPUJWSLEPARNQ-ZBFHGGJFSA-N 448.373 2.235 30 10 IEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267503417 CWAMOHCEIQWWBO-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE Cc1ccnc(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267512483 GSUWSBCMKYWMAG-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267526992 AFDCIDKQUJCFKI-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE CCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CN(C(=O)OC(C)(C)C)C1 2267547868 BSUGDFDREBDNAX-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cc1cnc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267572374 UZVBKKOOEJJRNA-HUUCEWRRSA-N 443.353 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](O)C#Cc1ccccc1Br 2313903884 NUKLFEKJSWWQRP-GJZGRUSLSA-N 432.336 2.099 30 10 IEEE COCCn1cc(C#C[C@@H](O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318096167 DWRKIFLVRHUULA-FGZHOGPDSA-N 442.560 2.267 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2334390269 SDHWXGRPIXSYET-FVQBIDKESA-N 444.341 2.278 30 10 IEEE C=CCC(O)(CC=C)CNCc1ccc(OC)c(OC[C@H](O)CN2CCCN(C)CC2)c1 20206080 XAHTWWJTCJJPQJ-JOCHJYFZSA-N 447.620 2.045 30 10 IEEE C=C1[C@H]2CC[C@@H]3[C@@]45CO[C@@](O)([C@H](OC(C)=O)[C@H]4C(C)(C)C=CC5=O)[C@@]3(C2)[C@H]1OC(C)=O 257565521 VIZWMBLJPXPZSQ-OOSCTGCRSA-N 430.497 2.322 30 10 IEEE biogenic N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 426527243 AOIIIZNMCBSSOA-LJQANCHMSA-N 446.573 2.456 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 438909303 CINBDZSRZGOBGB-UHFFFAOYSA-N 441.509 2.175 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 443084333 YCWHTMHHMVLQHY-ZDUSSCGKSA-N 429.395 2.339 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 460558120 OWBFRVHQYGVPKL-QGZVFWFLSA-N 427.534 2.358 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 460777002 YNNSKAXDEIELGZ-IBGZPJMESA-N 449.552 2.495 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccnn2C)c1=O 502053125 VJNJWMCTLZDRAZ-UHFFFAOYSA-N 426.501 2.327 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1 504529472 DXHXNXCDMBINDW-UHFFFAOYSA-N 429.473 2.389 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 540200033 ZPNIGUVSKPKZCK-SCPDWHHUSA-N 429.476 2.394 30 10 IEEE C=CCn1c(Cc2noc(-c3cc(OC)c(OC)cc3C)n2)nnc1N1CCOCC1 545640867 GRZZFMBXWNAWEC-UHFFFAOYSA-N 426.477 2.267 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCCC[C@H]2CCO)CC1 585754819 BVMVPQAHVARIOA-KRWDZBQOSA-N 427.505 2.082 30 10 IEEE C=CCOc1cc(NCC(=O)c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)ccc1-n1cnnn1 586270653 YZPBEXFRJMUXCT-AWEZNQCLSA-N 434.456 2.266 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3cc(Br)ccc32)cc1 589334676 PKYDJTHMLQLMJS-QGZVFWFLSA-N 434.315 2.403 30 10 IEEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 589467613 AQILJVYUBGXDSO-ICSRJNTNSA-N 432.933 2.052 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 655119969 JNMFEHKCDAHYRA-INIZCTEOSA-N 435.480 2.009 30 10 IEEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 670227472 AUXQUFPRMITAMA-UHFFFAOYSA-N 444.624 2.348 30 10 IEEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 728768711 KFBHAVWPNYNVHL-BLLLJJGKSA-N 432.452 2.392 30 10 IEEE CC(C)CNC(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Cl 732424196 GMDNWLXECWTVLB-ZPHPHTNESA-N 433.896 2.374 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cccc(-n3cncn3)c2)C1=O 735406945 AIFMRXWQBSIODQ-IBGZPJMESA-N 445.508 2.407 30 10 IEEE C[C@@H]1CCN(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccccc2S1 741340575 FKKXBINCAJDIFZ-YYZBOFOMSA-N 429.498 2.364 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 742819592 QYWDMQZOJFZOPM-QGZVFWFLSA-N 448.589 2.142 30 10 IEEE C[C@@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)Nc1cccc(C#N)c1 744894125 DEJZEOYDOOFYAQ-SNVBAGLBSA-N 427.360 2.431 30 10 IEEE COC(=O)c1cccc(Cc2cnc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)s2)c1 746191417 DKZGWWYHFYJSBD-VHEBQXMUSA-N 440.481 2.376 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc1Cl 750703614 VDPHMMFOFAUTLF-OAHLLOKOSA-N 427.935 2.108 30 10 IEEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 752161159 KBLCWJKBVHIFGB-GQBHPMLNSA-N 432.521 2.292 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCCO[C@@H]1CCOC1 757373243 WQJXUZDIBVEAQN-IEBWSBKVSA-N 442.541 2.354 30 10 IEEE C#CCN(CC#C)S(=O)(=O)c1c(Br)cc(C(=O)O)cc1Br 761310273 UJIZBZBPDIREPI-UHFFFAOYSA-N 435.093 2.167 30 10 IEEE C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=S 764865003 NAJJUJWHYZULJB-QGZVFWFLSA-N 428.562 2.190 30 10 IEEE Cn1c(=O)sc2cc(/C=C\C(=O)c3cccc(S(=O)(=O)NCCC(=O)O)c3)ccc21 773125151 MFLLUKLLPZOBIP-VURMDHGXSA-N 446.506 2.249 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(F)c2F)cc1 775032153 LTIKALWBRDCZFE-UHFFFAOYSA-N 428.438 2.161 30 10 IEEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 781648085 CWSVIQAKTCEKEF-ZDUSSCGKSA-N 426.336 2.055 30 10 IEEE COC(=O)C1=C(C(=O)C2CC2)[C@H](c2c(Br)cnn2C)NC(=O)N1CC1CC1 783939007 NYNQYMWEJAJTGR-CYBMUJFWSA-N 437.294 2.065 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)c1 784124915 FQOZXTGLPKDMCG-PKOBYXMFSA-N 432.590 2.421 30 10 IEEE CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cnn(C)n2)[n+]2cccc(O)c2)C=C1 789394336 QQQAHZOUGRCVLZ-UHFFFAOYSA-O 426.478 2.393 30 10 IEEE Cn1ncc(-c2csc(=NCC(F)(F)F)n2N=Cc2cnn(-c3ccccc3)n2)n1 789992671 XRPVQTULRRWTJM-UHFFFAOYSA-N 433.423 2.271 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)c2sccc2S(=O)(=O)NCc2ccco2)n1 790119180 POZMMRUGDKLAKS-UHFFFAOYSA-N 432.527 2.312 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCSC2)c1 794451552 YXGHGWMIDLXQCO-QZTJIDSGSA-N 430.599 2.173 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C[C@H]21 804158832 CAYWQMXKRVKFDU-YQVWRLOYSA-N 444.507 2.465 30 10 IEEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 812206054 SXNTYRFRNAZDGU-WRFKIARRSA-N 427.505 2.039 30 10 IEEE CC(=O)N[C@H](CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)c1ccccc1 816411238 WXQCCVCFWDVUQK-MRXNPFEDSA-N 431.290 2.437 30 10 IEEE C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccc(C#N)cc1 917094170 VYNKRTZITMOMSW-JXFKEZNVSA-N 443.525 2.465 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)cc(Br)c2)cc1 918382396 IZJZUACLLFVJCI-UHFFFAOYSA-N 425.279 2.430 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1 918545124 GSEFZYWGJJGIAO-CLCOLTQESA-N 449.577 2.414 30 10 IEEE Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(N)=O)C=C1)=C(/S)NC[C@@H]1CCOC1 1116351461 BGHIARPPFGPFDB-AWEZNQCLSA-O 429.522 2.128 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1 1125418464 HZKBJYDHTGKGGF-IBGZPJMESA-N 449.482 2.052 30 10 IEEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)NC(C)C 1132310112 AVKAWNQSHMKBQZ-UHFFFAOYSA-N 442.541 2.216 30 10 IEEE C#CCCN1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1136498819 AHXURWQXRPQKPB-OAQYLSRUSA-N 428.577 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)NCc3ccc(C(=O)NO)cc3)CCC2)CC1 1139232353 JAUPKQYWJROLGA-UHFFFAOYSA-N 447.532 2.354 30 10 IEEE N#CCCn1cc(C(=O)N2CCC[C@@H](N3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1158516801 HVZXUYZXSJVVSQ-LJQANCHMSA-N 438.488 2.309 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)c1 1170446574 ISSDRIOIGMXTNZ-INIZCTEOSA-N 435.908 2.399 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@](O)(c4ccc(Cl)cc4)C3)CC2)o1 1171706525 KQQWXTWWUIXLHF-JOCHJYFZSA-N 443.935 2.140 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)CC1 1193772815 LGXPWBGDBIHNRJ-NRFANRHFSA-N 444.551 2.197 30 10 IEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC[C@](C#N)(c2ccccn2)C1 1196789406 KMOUMOACICAWJD-HTAPYJJXSA-N 441.557 2.216 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1225937230 IIIADIZOLHGWLJ-RKTXRCNFSA-N 449.552 2.158 30 10 IEEE COc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 1265616450 FFRFECXXAAJLAD-ZIAGYGMSSA-N 431.518 2.219 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1286395992 UWAHSGJTOZXXEJ-GHTZIAJQSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCOC1=O 1286425475 ZNKSZNRXHNFZOY-UHFFFAOYSA-N 437.500 2.268 30 10 IEEE CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1286969935 SNVVPEMRBSWSJX-OALUTQOASA-N 436.626 2.288 30 10 IEEE N#Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(F)cc1F 1288003306 LVNLCGUGYAYIHJ-UHFFFAOYSA-N 427.454 2.100 30 10 IEEE C#C[C@H]1CCCCN1C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1289624504 KLWIBBHLMHQGAI-KRWDZBQOSA-N 426.542 2.170 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@H](O)C2)cc1C 1289742544 BRNDJPBZSNOHMK-YSIASYRMSA-N 438.532 2.427 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1291170510 SSIALVATQLHFCV-JZRSTAGNSA-N 435.532 2.273 30 10 IEEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@@](C)(C#N)C2)n1 1298905958 ISBXBFSWSQVXOG-SFHVURJKSA-N 442.325 2.409 30 10 IEEE COc1ccc(COCCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1300232171 NXGVNHBWIOUJON-ICSRJNTNSA-N 427.505 2.126 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1300430938 QTAVDJPDWDQNMX-YSIASYRMSA-N 445.589 2.434 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCn1cc(Br)cn1 1300587331 RZPQYTWRUXXEAQ-UHFFFAOYSA-N 438.333 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1300591869 XKBCNFHTOBPTKC-UHFFFAOYSA-N 433.512 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@](C)(O)c2cccs2)CC1 1300723028 OYMNUSYOFQAVTJ-QFIPXVFZSA-N 427.574 2.481 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301218048 JEWBKBWFYOBXGZ-UHFFFAOYSA-N 437.552 2.025 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 1301262830 ZXEXYTPHCVWBCY-MRXNPFEDSA-N 433.582 2.463 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)COCCO1 1301420584 GSMKPEUHTNDDHO-JOCHJYFZSA-N 430.505 2.161 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1301458339 FENHDWFUXOAVQR-JKSBSHDWSA-N 429.521 2.130 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301458551 VGIZQOATWOVZEF-GOSISDBHSA-N 430.459 2.100 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1301973425 FYKBYFFMGKRGKJ-KRWDZBQOSA-N 435.507 2.358 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1302027959 KDZPBHZZJRMNMU-BTYIYWSLSA-N 430.484 2.451 30 10 IEEE CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@](C)(C#N)C1 1304192902 JXNRELUSYPBAFI-MAUKXSAKSA-N 440.363 2.442 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1305532228 JQHQMTBXMMGHRD-KRWDZBQOSA-N 446.559 2.440 30 10 IEEE CCOC1CC(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1314240592 QDNQBHQVFVVIBN-SSPASSIJSA-N 446.596 2.038 30 10 IEEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1314670657 NAOGHCQXKLSAFH-JOCHJYFZSA-N 447.543 2.368 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C)c(C)s1 1315040207 DXZLEEWMQFFDNS-UHFFFAOYSA-N 439.545 2.423 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCOCC(F)(F)C(F)F)c1 1316529440 ONXOSCALTUNCRM-CQSZACIVSA-N 440.401 2.045 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1358918262 PFISDDITBFFULX-FDDCHVKYSA-N 429.565 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1CCCO 1358980163 LYIZYBBJBXZQMG-OAQYLSRUSA-N 425.964 2.442 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(C)c2C)CC1 1359039446 JLQHLFOMOFNNSU-WOJBJXKFSA-N 425.581 2.042 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2C[C@@H]2C)CC1 1359047661 OMZNFPWQJODBAW-PKOBYXMFSA-N 437.544 2.488 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(C)=O)CC1 1359052936 VUSWKQYXYSBWJT-UHFFFAOYSA-N 443.573 2.434 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359141237 AJVAXPFVVNGPMY-UHFFFAOYSA-N 447.971 2.473 30 10 IEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1359194674 ZORWLHHZIBYHGC-YTQUADARSA-N 433.578 2.473 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1359226738 LMSZTHOCYMSIEA-IBGZPJMESA-N 428.512 2.288 30 10 IEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1359346581 OVDWTMWVPPXXFX-GVDBMIGSSA-N 434.610 2.330 30 10 IEEE Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)ncc1C(N)=O 1443664065 HREYRZTTYJNVRF-GOSISDBHSA-N 442.317 2.274 30 10 IEEE Cc1ccc(C(=O)N(C)C[C@H](O)COCCOC(C)C)cc1B1OC(C)(C)C(C)(C)O1 1445410779 QGKYHVOHBYMRDY-IBGZPJMESA-N 435.370 2.169 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1461310310 UBHODTQWJSOTCG-KPZWWZAWSA-N 442.825 2.092 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](CO)Cc2ccc(O)cc2)CC1 1466350133 ITCUJYJENXQFIP-QGZVFWFLSA-N 436.468 2.448 30 10 IEEE Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc1S(=O)(=O)NCC#N 1468990621 YEDXODVFDUDLGP-GOSISDBHSA-N 426.542 2.143 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 1470296619 ITBAEKGUYGUIJS-BEFAXECRSA-N 435.509 2.214 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1470959223 KCSCEOYHLULNHJ-RPWUZVMVSA-N 448.567 2.410 30 10 IEEE C#CCC1(O)CCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC1 1471526371 JACUSJHIISHDCA-UHFFFAOYSA-N 426.517 2.438 30 10 IEEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1F 1474863743 GXLDTBVXKGVXAM-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE CCN(CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1501805620 CCHFEQADLDDCTF-QRWLVFNGSA-N 433.557 2.442 30 10 IEEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1501947288 GIIDXPMAMWZYLD-UHFFFAOYSA-N 446.559 2.205 30 10 IEEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1=O 1503681550 BPDVQRKKXSZGPG-LJQANCHMSA-N 435.557 2.460 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C(C)=O)CC1 1503792188 BBUFHCJJOVRDGM-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1507532144 BUWHQTADVHLOAK-GHTZIAJQSA-N 436.560 2.210 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1507547546 WPEUGVLFMZNEQL-MRXNPFEDSA-N 432.546 2.148 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1507564055 MBBNRVORGGUCAL-LJQANCHMSA-N 449.552 2.190 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCOCC1 1507685571 RJNPNLKALBNLOX-UHFFFAOYSA-N 438.561 2.293 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](OC)C2CC2)CC1 1507732887 UTIYXUNBDOZUAX-OAQYLSRUSA-N 425.533 2.046 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCSCC(C)C)CC1 1507738037 IHXJJFSWEAJVGK-UHFFFAOYSA-N 443.621 2.424 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507768453 QRDVHUWSPOWIQR-FUHIMQAGSA-N 441.498 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1507790655 BSGZUDQFTKGNON-AABGKKOBSA-N 430.597 2.462 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1507795381 DMLNMZFAPQTBHF-OTWHNJEPSA-N 438.594 2.024 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 1507806014 LWYMRUMZOXKNSQ-WIYYLYMNSA-N 447.580 2.217 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1508008703 QLCUVZFPUWIGSK-SFHVURJKSA-N 426.496 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1508134720 HIBSDMOUHIIHNB-RBUKOAKNSA-N 429.546 2.150 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508140715 PWXRYNOMSZLELS-GOSISDBHSA-N 429.590 2.467 30 10 IEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1NC(=O)CC1(C)C 1509605920 LQJTYQOELMMOCW-LJQANCHMSA-N 449.559 2.372 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1510118726 HDMLBJXCZDHFTG-IKGGRYGDSA-N 434.541 2.409 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)N(C)C 1510426180 HMAJHNWZQKDQAI-GJZGRUSLSA-N 432.598 2.235 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1514135822 CJIJYCZEUHZXNY-OALUTQOASA-N 429.546 2.399 30 10 IEEE COC(=O)c1nc(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)ccc1Cl 1531600838 WXUSKXAUNICUJS-UHFFFAOYSA-N 426.864 2.302 30 10 IEEE C[C@H](Sc1nc(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cs1)C(N)=O 1532791823 UOLZTDZAGSPBIM-LBPRGKRZSA-N 426.527 2.407 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 1534447413 CMEQBCVJPCDZHS-CQSZACIVSA-N 427.436 2.494 30 10 IEEE CN1C[C@H](C(=O)Nc2cccc(C#N)c2Br)N(C(=O)OC(C)(C)C)CC1=O 1536745607 PSHKUMOBILRQMH-CYBMUJFWSA-N 437.294 2.337 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1538352045 QEKXYBYQCJNAGY-JOCHJYFZSA-N 449.555 2.084 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539127793 PRTYJHTXCHJZBT-IBGZPJMESA-N 425.562 2.458 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1539132306 HWPOBOCEGFHVOY-KRWDZBQOSA-N 430.553 2.165 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N(C)C)CCSC1 1539333665 JQYHHHSCKJYTIW-QFIPXVFZSA-N 425.606 2.040 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539527147 VFOPNTMJKYICDN-GOSISDBHSA-N 434.587 2.155 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1540859352 VKCUKOALUGJFEV-LJQANCHMSA-N 430.578 2.281 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC=C)C1CC1 1540871594 PDYMRLSXJGHIMZ-QGZVFWFLSA-N 446.552 2.044 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)C1 1540937777 GLPLYEKPWAEDSF-SIKLNZKXSA-N 435.576 2.462 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Br)cnc2O)s1 1542346780 GQPOEJIYDDITQF-UHFFFAOYSA-N 432.321 2.257 30 10 IEEE COc1cc(COCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)ccn1 1543680477 VHRUWHABNOXDFM-UHFFFAOYSA-N 438.463 2.134 30 10 IEEE C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1544421784 UPBLVVFFYJMNJP-IALVOCICSA-N 439.578 2.245 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H](C)C2)CCOC1 1547919717 QQZCMOPBAHAWMD-MIZPHKNDSA-N 446.596 2.171 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1548246511 FJLLTKWZASANOA-UHFFFAOYSA-N 442.520 2.434 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C)nc2N2CCCC2)s1 1556148550 JFDQSLXGNGEZIE-UHFFFAOYSA-N 434.587 2.375 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ccncn2)CC1 1557006907 INWROOXEQBHNJK-UHFFFAOYSA-N 441.557 2.482 30 10 IEEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)nn1 1557103103 BPKKFPHSJXUMNY-UHFFFAOYSA-N 425.514 2.181 30 10 IEEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCc3ccc(CC#N)cc3)ccc21 1559001075 WQHMRCKCZXDVAQ-UHFFFAOYSA-N 434.500 2.339 30 10 IEEE CCN(C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)CC(F)(F)F 1566232351 QTQVGYRMSGJULN-ZDUSSCGKSA-N 435.443 2.469 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)c1 1566394981 CLGJXFXOKUUTJO-SFHVURJKSA-N 426.494 2.028 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 1585961794 CDWMBVCPIRDVLQ-KRWDZBQOSA-N 426.439 2.439 30 10 IEEE CC1(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)CCN(c2ccc(Cl)cc2C#N)CC1 1587162160 PYFZBLZJLJSVIH-ICSRJNTNSA-N 428.920 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587620915 MUAIHZANKMODHY-NSHGMRRFSA-N 442.589 2.311 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588432567 BRSRDZJVEFJJCH-LJQANCHMSA-N 448.579 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1588812240 QVJJUOBGQQDNRL-VQTJNVASSA-N 439.560 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCCC2)CC1 1588968644 OCOHXMONCVMBLB-PMACEKPBSA-N 429.565 2.158 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCC)CC1 1589528672 HVNKAYJXLYWAGH-ICSRJNTNSA-N 439.564 2.459 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C/C=C/c2ccccc2)C1 1595673418 HLCDBZRFLLFMCB-ZNOOQZCJSA-N 431.562 2.383 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)C1 1598208695 QEDQTIILZUAIPK-KSSFIOAISA-N 434.334 2.411 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1607572604 CYATXUYNLIKUSB-CVDCTZTESA-N 443.596 2.001 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC=CCC1 1608580188 ZAUGBMRBCIBMKM-ZWKOTPCHSA-N 449.563 2.149 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2ccnn2)c1C 1611828328 DSNXKDLBZZPYFD-RBUKOAKNSA-N 436.520 2.446 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)cs1 1612403292 QPWHZSBPNOWNDO-OAQYLSRUSA-N 439.520 2.417 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1613009539 CDASBWQNMQUQQF-MRXNPFEDSA-N 426.521 2.116 30 10 IEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NC(=O)c3cccs3)n2)c1 1616131114 DLIVVLNUFBBHMY-LFGUQSLTSA-N 433.493 2.453 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCCC[C@H]2C)CCOC1 1616264046 UHBSZSVMYUNCSX-ZRCGQRJVSA-N 446.596 2.314 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCN2CCN(Cc3ccccc3)CC2)c1 1617853894 JIOHUBIUWBWWLN-UHFFFAOYSA-N 433.556 2.066 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1619813943 MGFSTYFCAPTIHH-ICSRJNTNSA-N 438.532 2.260 30 10 IEEE CS(=O)(=O)CCCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1620162113 IDHWZQILBLSORO-IBGZPJMESA-N 429.546 2.430 30 10 IEEE C=CCC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OCC 1624303335 IHPOWOKMARYWSI-OAHLLOKOSA-N 432.336 2.378 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCOc1ccc(Cl)c(Cl)c1)c1cc[nH]n1 1625243231 CNKJFMWQVNJGOC-UHFFFAOYSA-N 429.260 2.196 30 10 IEEE COc1cc(NC(=O)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1 1629393075 RGSLMRUPMBSXPR-UHFFFAOYSA-N 445.516 2.409 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ncccn1 1629866661 JNWZRHUYAJDEDT-QGZVFWFLSA-N 427.530 2.439 30 10 IEEE C#C[C@@H](NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CCOCC1 1632226476 LLTCSAQUVBACBF-GOSISDBHSA-N 439.603 2.193 30 10 IEEE CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1633381656 BYVBHGFCQDQGNI-UONOGXRCSA-N 425.482 2.110 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)s1 1634732419 HLTVCCLWWKYLQB-LAUBAEHRSA-N 432.567 2.182 30 10 IEEE CCC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1649634632 DCRDVYYZLNNHMZ-SFHVURJKSA-N 433.520 2.143 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@H](O)CC2(C#N)CCC2)CC1 1652696829 LFEIOXCJQFVSSR-MRXNPFEDSA-N 427.954 2.100 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1)[C@H]1CCCO1 1655040444 IGGIVJAWZWWVIE-JKSUJKDBSA-N 430.320 2.393 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)N3CCN(c4cnccc4C#N)CC3)nc2C1 1672461206 DRAJTYJDIQGLTI-CYBMUJFWSA-N 426.502 2.042 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1681434466 OLVBBAZRJVTNGH-DLBZAZTESA-N 444.488 2.136 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1682432964 IPJZEDIILYANDI-CABCVRRESA-N 434.345 2.353 30 10 IEEE COc1ccc(N2C[C@@H](NC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)cc1 1682606203 DQDLQJRGVVJJCR-MSOLQXFVSA-N 434.500 2.353 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 1684641697 OHXQXFHRHGOJBV-UHFFFAOYSA-N 443.592 2.438 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2)CC1 1689888798 QYHMPNSUQBJVQK-OAQYLSRUSA-N 436.560 2.234 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1690100138 YLDNOVHRMGIWTD-QGZVFWFLSA-N 445.568 2.410 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1690202737 CRBYFFOQIRDNPO-NTKDMRAZSA-N 434.544 2.409 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1)C1CC1 1690535999 MSAJGNKPVHJNDC-UHFFFAOYSA-N 431.562 2.164 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNS(=O)(=O)CC)C1 1690687382 ALIUZTLSEZCXHH-QGZVFWFLSA-N 439.969 2.319 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)C1 1690809255 FSNKTOPMTAIBQV-RDJZCZTQSA-N 448.531 2.448 30 10 IEEE Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)s1 1693331875 HZAOMZSOEGHMFF-CYBMUJFWSA-N 437.595 2.140 30 10 IEEE CN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1696717044 DCDWDNBNJXXZQX-UHFFFAOYSA-N 430.559 2.454 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1697781047 FFAXLSHRVOWQOG-XHSDSOJGSA-N 440.520 2.309 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC[C@H]2C[C@H](F)C2)cc1 1698488991 NVVDEDRYNARQPS-QAQDUYKDSA-N 433.509 2.102 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[C@H]2CCOC2)c1 1705505515 PJEGTUYAQJCMNT-SFHVURJKSA-N 431.500 2.218 30 10 IEEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1705512945 UZGOPIGPPCQIHU-UHFFFAOYSA-N 432.546 2.391 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705560388 GLZJTSUTAHJFKL-CQSZACIVSA-N 428.436 2.143 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705564098 LFAQPLXWSLSZQC-KURKYZTESA-N 446.548 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1705590037 ZIGITFHXMBBXTE-KRWDZBQOSA-N 448.506 2.465 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(C)(F)F)c2)CC1 1705632219 JGGWSGIESGMOFT-UHFFFAOYSA-N 430.503 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1705649472 YUCZJOGIMRXXHN-RBUKOAKNSA-N 438.576 2.455 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705660301 ROKNJSBGVHNODY-KRWDZBQOSA-N 429.546 2.094 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705686664 HDBPLYCCBIGMCC-UHFFFAOYSA-N 436.358 2.282 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)[C@H](OC)C1 1705903824 VWMNTZJMDBNUTC-IYBDPMFKSA-N 440.331 2.404 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN2CCCC2)CCOC1 1706678787 GTKCNOHEVNLYFM-CVDCTZTESA-N 446.596 2.169 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C#N)o2)CC1 1708631105 FQRKAQCRWDRQLA-IRXDYDNUSA-N 427.553 2.341 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CCO1 1712287197 DESVACGZEIJZGE-MRXNPFEDSA-N 429.431 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1722282501 PYPMQIRYDQDTSA-YCRPNKLZSA-N 448.614 2.283 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1722370692 MKEWIPFXPFLKIK-HXUWFJFHSA-N 435.528 2.014 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](OC)C1CC1 1722380576 QJSRJYMDPPPIHU-HXUWFJFHSA-N 430.512 2.173 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC2(COC)CCC2)CC1 1722445813 XJSBWTKDJGAXCN-UHFFFAOYSA-N 438.576 2.456 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1722465724 AJBUNYPOTUMTBU-FDDCHVKYSA-N 435.532 2.176 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1722583266 NGHCNECXVQAGKG-ZLGUVYLKSA-N 437.610 2.498 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1722667556 FIGOKOTWEIXPKQ-UHFFFAOYSA-N 441.561 2.156 30 10 IEEE C[C@@H]1CCC[C@@](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)(N(C)C)C1 1726516537 BVGPEQVLGHVXBK-ZPMCFJSWSA-N 431.560 2.353 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)O1 1727298635 WDNZLFKEIHKVBK-OXFYSEKESA-N 438.598 2.366 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1728707556 PMFAEPSUSZQWKM-KURKYZTESA-N 434.541 2.062 30 10 IEEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(OCC(N)=O)c1 1729585061 DRECGCNSRJVCIB-UHFFFAOYSA-N 433.516 2.326 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1730798887 HEDUIXILJXYJLM-QHCPKHFHSA-N 440.548 2.066 30 10 IEEE CON(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1730962906 FSGWEHHHVURWJA-QZTJIDSGSA-N 430.534 2.019 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740619900 MLPUMZPBKBEHGH-HXUWFJFHSA-N 438.557 2.167 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740621672 YMYZHQFLLNZMSB-ICSRJNTNSA-N 429.590 2.302 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1740661891 LUXPASRDWNCGSX-SFHVURJKSA-N 445.589 2.096 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740678872 UROVTSPAVXJFRU-MRXNPFEDSA-N 431.503 2.315 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COC)CC1 1740761978 BCEJYHVQGLAKFI-WIYYLYMNSA-N 445.589 2.207 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740774349 QZANLGBKCJEEKH-CVEARBPZSA-N 441.598 2.496 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740788502 UJJMOHPHJHEKNA-DLBZAZTESA-N 443.614 2.265 30 10 IEEE C=CC[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)c1ccccc1 1740856928 YTHFQIJTHPJXBZ-MOPGFXCFSA-N 436.560 2.083 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1740890377 WMNJZYGCPNJELP-QGZVFWFLSA-N 439.568 2.388 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(=O)NCC)cc2)C1 1740976206 HNDVVPIMUAHVJY-IBGZPJMESA-N 433.516 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)c1ccccc1 1740986014 PNCUFIBBGHHBQV-GOSISDBHSA-N 445.589 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)Cc2nc(O)c3ccccc3n2)nnc1C(C)(C)C 1740993766 IHLJZPPLFKNMGS-UHFFFAOYSA-N 444.561 2.462 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1741128849 DOFQBTFWTHVQCI-GCJKJVERSA-N 448.575 2.279 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741397758 PFKKYZWSRNREHQ-ZREAOVPFSA-N 435.532 2.273 30 10 IEEE CCOCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1747334620 OYYLLPJFMVGUQA-BBWFWOEESA-N 434.541 2.204 30 10 IEEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1747581388 HEWRRZJCMYNTDD-FXAWDEMLSA-N 434.610 2.185 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1 1748282495 JRQSLZWPSBFQJY-UHFFFAOYSA-N 437.426 2.205 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1748686183 KGTJNBYXHIDXDJ-AWZKZOKMSA-N 448.527 2.404 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748814374 DWARMEZXGZSTFT-HXUWFJFHSA-N 428.558 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccs1)N(C)C 1748824683 HNQZLZFOEUUESG-KRWDZBQOSA-N 433.541 2.363 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1748852111 XBXLTQJNDSEBSB-JOCHJYFZSA-N 425.920 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(CCCCC2)O1 1748863645 BVHNKSUTXJARBC-RTBURBONSA-N 447.605 2.233 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 1749123883 JAEIIJUQFYSHKD-SJLPKXTDSA-N 445.955 2.436 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749219692 PMUOZPXNRUPLRY-UHFFFAOYSA-N 433.578 2.446 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749457966 SWVIJHOXZVKNEB-QFIPXVFZSA-N 431.487 2.456 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1Cc2cccc(Br)c2C1 1749650138 LDZMYKCAYZTGBM-UHFFFAOYSA-N 447.337 2.001 30 10 IEEE COCCCN(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1749686148 VWOPFELXMRAQHP-CZIZESTLSA-N 428.468 2.083 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1749690281 PONQGAWFFBUMBO-SFHVURJKSA-N 432.546 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2CCCC[C@H]2C1 1749725785 ZILSSNWTVJWJCB-IBGZPJMESA-N 445.589 2.229 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1752581101 BUNFOGPMMCBREK-LIRRHRJNSA-N 434.504 2.331 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1760189718 LGJIHDAMDJYGMS-LJQANCHMSA-N 445.589 2.096 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760215523 DFDZYQCPZAMWLE-UHFFFAOYSA-N 449.536 2.286 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760288364 AHCKQESPZLKIDZ-UEVCKROQSA-N 442.585 2.362 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1760325897 SQZDZBBVXBBBRC-ZJOUEHCJSA-N 441.580 2.083 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760442159 HUIOSLSFRZZWPH-OYRHEFFESA-N 443.640 2.362 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N(C)C 1760459380 RJFMIKTXOYFNNF-UHFFFAOYSA-N 428.356 2.221 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760465087 WQAWSACIVYVIIO-CVEARBPZSA-N 441.598 2.448 30 10 IEEE CC(C)N(C)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761169411 BHSJRSAXVLFEDN-UHFFFAOYSA-N 432.532 2.139 30 10 IEEE Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1761881980 OFQJQNQIDTUZLR-CQSZACIVSA-N 426.502 2.404 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1766188868 GYBXJCRHHVJUPM-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1c(CC)noc1C 1766408154 UTSYPYZDZSINPZ-UHFFFAOYSA-N 436.520 2.315 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(C(F)(F)F)n1 1767959275 FKNGTQCOVDCORI-CYBMUJFWSA-N 426.399 2.036 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1)C1CC1 1770331915 ADSIJFUOCOHFEQ-UHFFFAOYSA-N 427.530 2.177 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCc2nccc(C(F)(F)F)n2)C1 1771529635 RHRZFROUGFOUDC-QGZVFWFLSA-N 433.373 2.229 30 10 IEEE Cc1cc(F)ccc1N1C[C@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1850662845 NTXBLQCTCXQLHM-LJQANCHMSA-N 440.519 2.488 30 10 IEEE N#Cc1ccc(OCCCOCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1852371925 SNSDQXWSTNYDHC-UHFFFAOYSA-N 429.542 2.350 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854401686 SIMDHLOZGNNOEP-UHFFFAOYSA-N 439.921 2.189 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)OCc1ccc2c(c1)NC(=O)[C@H](C)O2 1860406411 ZQKCFPKXRKHUPF-ZDUSSCGKSA-N 446.481 2.447 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862565362 VUEDPNFESXZZGI-JOCHJYFZSA-N 448.523 2.366 30 10 IEEE N#CCCN(CCC#N)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1866303564 BSERJJDYEFWOAI-UHFFFAOYSA-N 430.420 2.481 30 10 IEEE CCCCCCCOc1cn(CCN2CCOCC2)c(CN2CCN(C)CC2)cc1=O 1870410802 GJMHTJCPAAGNOW-UHFFFAOYSA-N 434.625 2.277 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 1872912347 UHMYHVRPFXRGBZ-OAHLLOKOSA-N 434.334 2.343 30 10 IEEE C=CCn1c(C(=O)NCCCOCC)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873591042 BHITUUWWZSWRPF-UHFFFAOYSA-N 449.559 2.495 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2)cc1 1874292376 ABTUCCBPDZKKCI-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)CC1 1889405332 FDOXXAFLTACJIQ-QHCPKHFHSA-N 439.600 2.275 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)CC1 1890581791 WIOSLLGVZKJNCZ-UHFFFAOYSA-N 425.907 2.490 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)C1 1892051214 KYRJZUBNLKCDQP-FPOVZHCZSA-N 446.956 2.480 30 10 IEEE C[C@H](CCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900475053 OQMVCGSMENBJSI-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C=C(Br)CS(=O)(=O)N1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C 2006268042 VGVFZMNSSWWXFB-STQMWFEESA-N 427.361 2.229 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(N)c1 2162579907 DKSLUCWOTDFZET-MRXNPFEDSA-N 442.419 2.276 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)n1 2194178788 HHLOEUBLCNETSL-ZBEGNZNMSA-N 446.176 2.430 30 10 IEEE O=S1(=O)CCC2(CC1)CNC(=NC[C@H]1CC1(Br)Br)SC2 2233039539 LQMJCJKVGAKBTI-SECBINFHSA-N 446.230 2.380 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2247920633 AQYVWBQMCYDMBX-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CC1(C)OB(c2sccc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248566453 RZPXPRRNWSLNBF-INIZCTEOSA-N 431.319 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC12CCOCC2 2255598733 QRRNETFHLPZVFX-INIZCTEOSA-N 434.342 2.154 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267134816 VCHLYIIDGPCWMW-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)oc1B1OC(C)(C)C(C)(C)O1 2267137552 NZIITQIWBLWSBV-OAHLLOKOSA-N 445.325 2.472 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142484 VCRFPTNUWUOLRN-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267161863 IIKLABTYQFLXPD-INIZCTEOSA-N 446.357 2.295 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267181270 QDFWAFZXOZROAI-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267530756 GDPATEAUPRXOQL-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268721182 HVCBOHCUSVPSAO-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CO[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1F 2282835220 QTWVEDHNAPITJJ-QWRGUYRKSA-N 425.740 2.058 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2283069913 UAGPXRQKMNLVSK-WOJBJXKFSA-N 448.376 2.370 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315534419 PACLEYHYLDDWPW-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CN=c3cc(B4OC(C)(C)C(C)(C)O4)c(F)c[nH]3)[C@@H]2C1 2322296561 FDQMXWOOHOLIPS-GJZGRUSLSA-N 433.333 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2334270527 UDNLQDUQHKLGNF-DZKIICNBSA-N 446.357 2.084 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2C1=O 3567741 YWNWPQHZAPZHHD-CYBMUJFWSA-N 436.420 2.424 30 10 IEEE Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 10453660 SJVGTIPAHPUIJU-UHFFFAOYSA-N 443.573 2.103 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3)n2N)cc1OC 20291735 ITMXDLFEQQNMEX-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 20528007 CECKUMFRXBTIJD-UFWORHAWSA-N 432.535 2.332 30 10 IEEE COc1cc(/C=N/Nc2nnc(SCC(=O)OC3CCCC3)[nH]2)cc([N+](=O)[O-])c1O 21084180 OICVJJXUCBVMAB-QGMBQPNBSA-N 436.450 2.451 30 10 IEEE C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O 30691649 DEFOZIFYUBUHHU-IYQKUMFPSA-N 432.488 2.387 30 10 IEEE in-man COc1ccc(CNC(=O)COC(=O)/C=C\c2ccc(OCC#N)c(OC)c2)cc1OC 33659941 QAZCFKRYQLUJSW-TWGQIWQCSA-N 440.452 2.488 30 10 IEEE Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)o1 170402399 FPMJWGVLGJYJOL-SFHVURJKSA-N 439.449 2.413 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)ccc1OC(F)(F)F 443291512 SMDOKNSKARDVSI-UHFFFAOYSA-N 437.353 2.278 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1Cl 461386122 ZHEDQLSNCSRQPQ-HNNXBMFYSA-N 446.956 2.479 30 10 IEEE Cc1csc(NC2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 474799838 FDDSMQRVJDQHIY-CQSZACIVSA-N 433.559 2.093 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 481135796 HNAQGBVVQZRMAU-HNNXBMFYSA-N 432.933 2.227 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)ccc1Cl 481877743 ZDRMRTHGVASJSG-UHFFFAOYSA-N 426.907 2.192 30 10 IEEE CCCn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C1CC1 497765512 BFVHDPSUILKXHS-UHFFFAOYSA-N 427.530 2.189 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 506209455 KIIYEIXCYUFLTA-QFIPXVFZSA-N 449.573 2.465 30 10 IEEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 506863921 YNBYFVOBSCXKBD-RBUKOAKNSA-N 444.557 2.383 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ncc(Br)cc1Br 545424557 ZORAAMOKRQBHDG-UHFFFAOYSA-N 442.115 2.488 30 10 IEEE C#CCn1nc(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c2ccccc2c1=O 585170419 DJYGBQOBAUALFR-UHFFFAOYSA-N 437.521 2.071 30 10 IEEE CCN1C(=O)[C@H]2CN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CCN2C1=O 610714261 CWKSJEJOYARWLC-LJQANCHMSA-N 446.467 2.311 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)NC[C@H](CO)Cc3ccc(F)c(F)c3)CC2)nc1 616224415 HURKEMVIBITRSG-QGZVFWFLSA-N 429.471 2.351 30 10 IEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 619742021 TUSBDVFUKXGTSW-GCJKJVERSA-N 433.560 2.382 30 10 IEEE C#CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 729331055 IZBMWSTYLGMQHX-ZDUSSCGKSA-N 433.408 2.065 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O 730140637 GZOUTVIFFRJTAR-AQNXPRMDSA-N 443.617 2.313 30 10 IEEE C#Cc1ccc(C(=O)NCc2ccccc2N2CCN(C(=O)c3ccc(C#C)cn3)CC2)nc1 733981875 NRPGMIYPTPKDBP-UHFFFAOYSA-N 449.514 2.332 30 10 IEEE C=C(COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C)C(=O)OCC 734029086 RSBUWEVCISVHQQ-HNNXBMFYSA-N 448.335 2.415 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccc(OC)c(C#N)c2)C1=O 746523345 STJJGFDERGFDQP-HMWBEYIWSA-N 437.525 2.141 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 751832683 UMJDEYPJZLEYIM-UHFFFAOYSA-N 426.567 2.039 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 752613665 IPJZOYUVVQNUDV-AUUYWEPGSA-N 430.482 2.370 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 757869169 BJKODVAQPNLLPO-UHFFFAOYSA-N 442.969 2.433 30 10 IEEE Cc1c(C#N)c(NC(=O)CCN2CCN3C(=O)OCC[C@H]3C2)n(Cc2ccco2)c1C 764419736 QOTAPBYUBXTGKO-KRWDZBQOSA-N 425.489 2.473 30 10 IEEE COc1ccc(C#N)cc1COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 772258922 DJEZBWSIZPFGLX-INIZCTEOSA-N 433.486 2.316 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc[nH]n1 772313689 NCKPENFXEBVCGA-LBPRGKRZSA-N 427.244 2.250 30 10 IEEE COc1cc(C)c(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c(C)n1 781577225 WVUSDOYHPNZIQB-UHFFFAOYSA-N 449.489 2.082 30 10 IEEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 782807444 XMZXRKYWAVSXRM-AWEZNQCLSA-N 444.479 2.473 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1nnn(C)n1 782816492 UVUQJVYURSJJLZ-GOSISDBHSA-N 449.540 2.357 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N2CC[C@H]2CCOC2)cn1 783006885 OYXSJAGKNNXGJT-JSGCOSHPSA-N 447.483 2.330 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 783034607 DGELOBRSEDMGJL-UHFFFAOYSA-N 447.536 2.172 30 10 IEEE C=CCc1cc(CNC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(OC)c1OC 802066037 IDULIYCYHWMXTB-ZWKOTPCHSA-N 449.548 2.459 30 10 IEEE Cc1nn(C)c(C)c1CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 916695130 XYJIUMOXOAJTHS-CLCOLTQESA-N 432.550 2.214 30 10 IEEE C#C[C@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)c1ccc(Br)cc1 1129730436 HTJOWGCXWGDSPS-ZDUSSCGKSA-N 432.299 2.166 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@H]([C@H]2CCCO2)C1 1133978776 UAHKIQHTVGSAQX-LSTHTHJFSA-N 439.516 2.110 30 10 IEEE COCCOCC(=O)NC1CCC(C(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)CC1 1134922116 BXMZOAWNEPJYJK-MDCZIUGASA-N 428.533 2.355 30 10 IEEE CCOCn1nc(C)c(C[C@H](C)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 1156591246 CCNHDHLEDQRWQJ-AOMKIAJQSA-N 437.544 2.462 30 10 IEEE Cn1ccnc1[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCO1 1212131131 GIDYLNSYCFMHCI-KBPBESRZSA-N 425.308 2.253 30 10 IEEE COC(=O)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)Oc1ccc(Br)cc1 1215361045 AJCNNRWHRWAEDG-AWEZNQCLSA-N 436.266 2.301 30 10 IEEE C#CC[C@H](CO)NC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1222353476 WYJWZMQNXYXLHJ-GOSISDBHSA-N 426.483 2.291 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1286291387 VVAPGJPCRJNBBA-QGZVFWFLSA-N 433.603 2.090 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286390532 APWBUAAAASTIBF-AEFFLSMTSA-N 434.587 2.451 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286564353 XRLXBAWANPIEMB-LPHOPBHVSA-N 448.593 2.115 30 10 IEEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)C1 1286604210 PLGZVHUWTKBHKJ-UHFFFAOYSA-N 438.301 2.376 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286816992 JVPCGYHJGGMULO-OAHLLOKOSA-N 427.571 2.106 30 10 IEEE CC(C)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1287196307 IYWIZNCKZVKRIO-XUTLUUPISA-N 438.536 2.045 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCC(=O)N1 1287472359 ZHYHWJJALWPRHX-QGZVFWFLSA-N 425.512 2.093 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 1290261714 JDBCANQQOLCQDC-UHFFFAOYSA-N 443.500 2.292 30 10 IEEE CCc1nc(CCn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)no1 1292720268 FOQXUDGWXSGDNS-UHFFFAOYSA-N 435.536 2.357 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)cc1F 1296842713 TYIIPBICZPFLPD-UHFFFAOYSA-N 427.379 2.485 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)CC1 1297800566 CIDXLOOSDHWECX-UHFFFAOYSA-N 435.406 2.451 30 10 IEEE CN(Cc1ccon1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298473603 PNGUQJIBEVAFQE-FMQUCBEESA-N 425.493 2.162 30 10 IEEE COC(=O)N1CCC(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1299425552 FXUQFEGLHPEETL-HXUWFJFHSA-N 438.532 2.270 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC(NC(=O)N4CCOCC4)CC3)cc2)nc1 1299744428 RNMZZNIFLZXJAY-UHFFFAOYSA-N 435.484 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1300267760 JWAMLRYFWPJVTB-MSOLQXFVSA-N 442.589 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300314730 IQCAOSPWTMZDHO-CVDCTZTESA-N 430.556 2.337 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1300364673 LSAJXIMYUKXJRG-FQEVSTJZSA-N 442.608 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCn1cc(CO)nn1 1300441260 INBCCJYBERNYIH-OAHLLOKOSA-N 425.562 2.375 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300487868 MVCAPWHCYYLTOK-RDGPPVDQSA-N 445.589 2.114 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300863911 WGBYNQHZIRRQQE-QYZOEREBSA-N 447.580 2.172 30 10 IEEE COC[C@@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1301039045 HGFVAAJKNQNZGO-LRDDRELGSA-N 429.269 2.473 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2nc(C)cc2C)CC1 1301105321 HCUGCKCDOMRMNU-QGZVFWFLSA-N 435.598 2.194 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1301258155 MIIMLDSTXBSRDQ-MRXNPFEDSA-N 431.497 2.321 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1301294446 QCXOGKMYAWAKBX-YOEHRIQHSA-N 439.532 2.384 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC(C)(C)C 1301411583 ZRNOGFJLQHAEMZ-QGZVFWFLSA-N 428.537 2.362 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC2CCCCC2)C1 1301535599 MGZJDJIIMJXOQB-SFHVURJKSA-N 432.569 2.037 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1301542762 FNVFZWWUUWAJGA-VGSWGCGISA-N 445.568 2.106 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)c(COC)c1 1302097068 JJRCHVZWFPPWEC-CRAIPNDOSA-N 433.484 2.065 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CC1 1303000241 CPHIYUKSKAJSLW-NSHDSACASA-N 425.440 2.493 30 10 IEEE C#CCN(C(=O)Cc1cccc(NS(C)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656399 WGQJYAUEGAERGQ-UHFFFAOYSA-N 449.573 2.462 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1308162350 WMLZFFUPDQXUSG-IBGZPJMESA-N 433.574 2.218 30 10 IEEE CN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1314749744 SCXAOPWJHOIYCX-GHVJWSGMSA-N 443.511 2.427 30 10 IEEE N#Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnc1C(F)(F)F 1350399396 HCDFPODQCZKGDC-UHFFFAOYSA-N 440.403 2.245 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cc(C)on2)CC1 1358918928 LIHKXXMYJJAXRQ-UHFFFAOYSA-N 427.553 2.229 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCn2cc(Cl)cn2)CC1 1359042421 FTQYSWSGMHNPSW-UHFFFAOYSA-N 441.923 2.362 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1359270512 RQOXDTKCLHHWOS-UHFFFAOYSA-N 439.545 2.212 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359292110 IKTYNEACEJWKCQ-BXWFABGCSA-N 447.511 2.100 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)F)C1 1359323934 ZRXGHAFOKOWIFQ-CYBMUJFWSA-N 441.429 2.310 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncnn1C(C)(C)C 1359717077 HKMHPSRSIHBUEH-UHFFFAOYSA-N 434.552 2.390 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1360312745 AUTSAQFCAGMFTM-VQIMIIECSA-N 432.496 2.276 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)C(=O)OC(C)(C)C 1441713475 LRQWSXADORSTDB-UHFFFAOYSA-N 438.528 2.252 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1442925010 SAASDEOTHDOYSZ-UHFFFAOYSA-N 439.232 2.296 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)[C@H]1c1ccnn1C 1458506456 OTWIGOUNXPFLCE-VHSSKADRSA-N 436.299 2.396 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC([C@@H](F)C(N)=O)CC2)cc1 1460648572 ZSWIBQBAQURHRS-OAQYLSRUSA-N 441.507 2.448 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCS(=O)(=O)CC(F)(F)F 1461399628 VDUGUPDLMZMCOJ-LBPRGKRZSA-N 429.461 2.057 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1463303661 ONQWGKVEWXKSGL-UHFFFAOYSA-N 431.514 2.438 30 10 IEEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCNC(=O)c1ccc(Br)cn1 1470071072 ZYWDTAUEWCMRTD-INIZCTEOSA-N 428.290 2.432 30 10 IEEE C#CCN(C1CCCCC1)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1474905975 PYPGGQQJAQFUNX-UHFFFAOYSA-N 427.324 2.457 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCOC[C@@H]2CCOC2)n1 1492743249 NUZXIUJXXJZHIY-FQEVSTJZSA-N 427.553 2.323 30 10 IEEE CCn1cc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)cn1 1502229454 FTVNLAQABFOCOK-KRWDZBQOSA-N 434.552 2.455 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1507539236 STMUCLYKOVORSY-BJLQDIEVSA-N 445.589 2.181 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1507564239 NGHSGFRDSTUPJH-XLIONFOSSA-N 443.573 2.496 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(Cc2ccccc2)CC1 1507653955 XQYXDEHADCNPER-QFIPXVFZSA-N 430.556 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(F)ccc2F)CC1 1507741389 RGMQQWGMZPVCHU-LJQANCHMSA-N 429.471 2.422 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1507782332 AUKKPKPVMPBTBO-AWEZNQCLSA-N 435.326 2.418 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1507981842 KXWDXIWEGIXYMG-KRWDZBQOSA-N 447.586 2.496 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CCS(=O)(=O)N1CCSCC1 1507999699 NVKOIMPUOBKDFF-UHFFFAOYSA-N 446.602 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1508142336 STRCNKAUIVMBBT-INIZCTEOSA-N 437.591 2.489 30 10 IEEE C[C@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1510084375 DAHDHEIFYCKSRU-LVCYWYKZSA-N 434.610 2.042 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1514254247 MYPDQKHSAAFWFV-KBXCAEBGSA-N 437.342 2.326 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1517442382 ZJXKONLMKPFBDL-GOSISDBHSA-N 426.521 2.116 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518969042 WGKFAEKNUOZRFU-SELNLUPBSA-N 433.516 2.266 30 10 IEEE Cc1c(C(=O)Oc2ccc(C#N)cc2I)nnn1-c1cnn(C)c1 1519812843 OROZNDQMWPIMPV-UHFFFAOYSA-N 434.197 2.005 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1521155209 ROBLRNRZCFGWEG-UHFFFAOYSA-N 443.939 2.406 30 10 IEEE CCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](CC)C(=O)OCC 1522512405 GQTQELIWQOCCMJ-ZWKOTPCHSA-N 428.489 2.344 30 10 IEEE CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1527707691 CXHLVTDLJGZTRZ-KRWDZBQOSA-N 445.928 2.426 30 10 IEEE COC(=O)C(C)(C)n1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1529368021 HQEAUOMVEKBDIW-ZDUSSCGKSA-N 429.864 2.308 30 10 IEEE CC(C)(NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(C#N)c1 1532250355 BMIPZOARTPXVGZ-UHFFFAOYSA-N 433.555 2.235 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1534707745 ACNRXQCDZHHZGC-LJQANCHMSA-N 429.517 2.114 30 10 IEEE CCOC(=O)C1([C@@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CCOCC1 1538691980 QNBOTACSUFFZCG-MRXNPFEDSA-N 427.505 2.015 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1539222134 TVUUQCNWOCVAMR-SJORKVTESA-N 426.608 2.290 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1539669082 KVGCXSCJICYANN-HOTGVXAUSA-N 447.552 2.449 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)COC)CC1 1539743578 LHBBGNKWOLJWNF-UHFFFAOYSA-N 431.512 2.408 30 10 IEEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1540114233 JLULRTZYBMAAEU-QFIPXVFZSA-N 446.573 2.178 30 10 IEEE CCO[C@@H]1COCC[C@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540832517 PQQLKEOZVUOSCN-MGPUTAFESA-N 429.496 2.346 30 10 IEEE C=CCOc1ccc(Cn2c(N(C)CC(=O)N3CCOCC3)nnc2C(C)(C)C)cc1 1540879024 QDQRNTCFEDXIAN-UHFFFAOYSA-N 427.549 2.484 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)CC1 1545534676 OTCGDLTUISXJQC-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE CC[C@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1545708587 LYTNOCCNYSBTGE-QRFRQXIXSA-N 432.569 2.437 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)c1ccc(C)cc1 1546528214 HEUVBYARNORGNE-UHFFFAOYSA-N 444.543 2.172 30 10 IEEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)ccc1Cl 1554755922 TWXXAIDCCRAUSF-STQMWFEESA-N 440.957 2.337 30 10 IEEE CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1555936333 COMPDOZFJWDBDL-UHFFFAOYSA-N 439.589 2.352 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)OCC 1557935287 XKILZJXFNSHRDR-SFHVURJKSA-N 442.965 2.424 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 1570527843 HWXWIUATNJDLRF-DLBZAZTESA-N 435.546 2.020 30 10 IEEE C=CCN(C(=O)c1ccc(NS(C)(=O)=O)nc1)[C@H](Cc1ccccc1)C(=O)OCC 1585015750 MCKQKGXBYXRIKL-GOSISDBHSA-N 431.514 2.256 30 10 IEEE N#C[C@]12CN(C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1585660527 OBCSIUAUUZNCGB-APPDUMDISA-N 442.394 2.041 30 10 IEEE N#CCn1c(C(=O)NCCNC(=O)c2ccc(Br)cn2)cc2ccccc21 1586101104 RIZVMUQQQMUCRV-UHFFFAOYSA-N 426.274 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc(Br)cn1 1587549857 CVGHCMJAULCOFX-ZDUSSCGKSA-N 436.358 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1587639723 MSLQWVSEOYZRLI-SOUVJXGZSA-N 433.603 2.268 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587723960 WVQWSRJQRNHCKZ-UHFFFAOYSA-N 436.969 2.269 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCC#C)CC1 1587818314 UZLXQXIFHOMELP-UHFFFAOYSA-N 443.349 2.415 30 10 IEEE NS(=O)(=O)c1ccc(OCCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 1587850857 DWYZMKNHBWHIKQ-UHFFFAOYSA-N 426.416 2.290 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588039942 GNQZCLWYEYPASA-VGSWGCGISA-N 446.573 2.414 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1588053279 CCAFPGQMTFSKBG-FQEVSTJZSA-N 428.558 2.367 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1CCOCC1 1588084177 NJCSDMIDOXEAGH-IBGZPJMESA-N 425.508 2.352 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1SCCc2ccccc21 1588139764 RAYWEMOCEJZLOR-AZUAARDMSA-N 440.594 2.284 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1C 1588595492 VMYZXNIECJZRAU-UHFFFAOYSA-N 439.541 2.186 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N(C)C)CCOCC1 1588695849 IVIJJPFDDGAXCS-WOJBJXKFSA-N 447.624 2.394 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)C)CC1 1589007726 PLDLGTLIIAZHFW-UHFFFAOYSA-N 447.630 2.245 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1589664320 XWFWVDQUUSBOTM-IKGGRYGDSA-N 429.562 2.152 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595507174 YKUWZYYYMOBKRY-ZSDSOXJFSA-N 446.939 2.068 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595516843 KMXJTLFDOJLNSH-QFBILLFUSA-N 444.967 2.058 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1595699408 DDLKYCGSZMNMAH-GOSISDBHSA-N 427.530 2.175 30 10 IEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595900823 KCPDUSVTQPKLKZ-QGZVFWFLSA-N 446.552 2.471 30 10 IEEE CC(C)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1608078097 FVFQGTOEWYMVGZ-UXHICEINSA-N 448.637 2.431 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1619615238 YRTSNDAWHKKEEF-IBGZPJMESA-N 426.496 2.250 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CCO1 1619753310 AQPRHBGZUDBVOY-CUWPLCDZSA-N 441.532 2.395 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OCC 1622145249 KGEWXODBWLMOSY-GFCCVEGCSA-N 434.308 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC1CC(N2CCOCC2)C1 1627257399 UGSRGOILOUZYEJ-GZNCHQMQSA-N 440.544 2.372 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(Br)CC1 1637417420 VFGUVMWHHBCOGA-CYBMUJFWSA-N 428.352 2.328 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1640434433 WBQXRSBHTXAPFR-SQNIBIBYSA-N 433.530 2.130 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 1640487637 HQMOWTBMFLGYOV-IBGZPJMESA-N 432.565 2.433 30 10 IEEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC(Nc3cccc(C#N)c3)C2)cn1 1641584442 KLHVDCZBVZRKBX-UHFFFAOYSA-N 442.526 2.091 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1642528346 WPBFVHCOBCPDPI-UHFFFAOYSA-N 434.496 2.345 30 10 IEEE Cc1ccc(C(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)NCC#N 1642740092 XEEBBKFJPDXXBE-MRXNPFEDSA-N 441.431 2.279 30 10 IEEE N#Cc1cn(CCNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)c(=O)nc1O 1646148016 OLAAXCVDGDNFGE-UHFFFAOYSA-N 449.158 2.171 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br 1648264279 IILIRAYFXMGSAE-MRXNPFEDSA-N 427.364 2.409 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1654968566 NINFXEPAZWAHRS-UHFFFAOYSA-N 449.573 2.432 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2Br)CC1 1665159741 NORJDGABYNXYFE-UHFFFAOYSA-N 430.320 2.165 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682226214 FBPNPUXYEMBWBB-KZNAEPCWSA-N 427.505 2.014 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1 1682652979 MSMFVRLTTHDPNB-GDLZYMKVSA-N 430.452 2.229 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1689901893 RRZUTKBZPHLXMH-UHFFFAOYSA-N 439.564 2.131 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689916581 NYUDJKDTLUWWMY-UHFFFAOYSA-N 445.527 2.188 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1OC)N1CCCC1 1689972610 VJOYTXKMHCGSJJ-HXUWFJFHSA-N 436.560 2.316 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N(C)C 1690096108 MWPUHMRUZKUYSC-UHFFFAOYSA-N 434.338 2.272 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690203311 XVCFFTZTGLXOOS-ZMPRRUGASA-N 430.553 2.477 30 10 IEEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1690541342 XDXLKFKIUCBAIE-UHFFFAOYSA-N 429.956 2.312 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1)C1CC1 1690545651 VYOHPQWQYZWLQA-MSOLQXFVSA-N 449.552 2.157 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690670986 MWZSSMVLAQAYAA-MRXNPFEDSA-N 429.525 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2C)CC1 1690723693 YLSKLYLLLHOUPY-UHFFFAOYSA-N 429.590 2.387 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)c2cccc(O)c2)o1 1693112143 JYNSVEADYXWSJM-SFHVURJKSA-N 436.472 2.101 30 10 IEEE CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1693923744 UXTYPCOAXLNIKV-GCJKJVERSA-N 425.537 2.274 30 10 IEEE CCOCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1696437181 YAPGYDIUIGWJOY-QHCPKHFHSA-N 441.555 2.121 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2nnc(C(C)(C)C)s2)CC1 1705640786 GJHFWKHTMQTUCX-UHFFFAOYSA-N 436.589 2.216 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705699216 DMTBUVJEBYWETB-MJGOQNOKSA-N 437.610 2.387 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705735720 WIPWZPDMXNEIQG-FCHUYYIVSA-N 446.640 2.370 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705894423 YREPVMAHKTYMOT-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1705901162 CPLAQZDXLNAKFB-UHFFFAOYSA-N 443.596 2.449 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1706058008 UYJYFXFNYDAZLP-OAQYLSRUSA-N 447.547 2.393 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1706185310 IQZMNXCLHCZKSY-UHFFFAOYSA-N 426.521 2.246 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(F)(F)F 1706608560 NGLHZXDSMBVYHI-UHFFFAOYSA-N 437.426 2.294 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1706746773 DPDYTKRIUJQESL-RDJZCZTQSA-N 444.540 2.291 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 1708085752 ASJLNCCXKSJYSW-KRWDZBQOSA-N 430.578 2.029 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CCOC1(C)C 1708272411 COTYCSGPDZMZRM-KRWDZBQOSA-N 436.520 2.414 30 10 IEEE CC/C=C/Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C#N)C1 1709381730 FETXNZRSALECNE-DWTRPJMMSA-N 429.550 2.242 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](COC)C1 1710893730 QZPOAIDSCOXIBP-GOSISDBHSA-N 446.577 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722275236 CLZQPAYGTMPVQN-BDXSIMOUSA-N 438.642 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCC[C@@H]1C 1722401325 TWWVDAAUXDECSJ-HTAPYJJXSA-N 425.558 2.284 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCCC2(C)C)CC1 1722440044 ZLAWMQYGCHKNDN-JOCHJYFZSA-N 428.606 2.330 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722452343 FBBGJTUQFUPGOA-QGZVFWFLSA-N 449.621 2.337 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1722461107 CDFAOKQTLQUCRD-IBGZPJMESA-N 443.548 2.484 30 10 IEEE C=C(C)CN(CC)c1nnc(COCC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722516774 DLGMJWJVJODNOF-MSOLQXFVSA-N 425.599 2.421 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722554315 DDVMWSSQHASVDL-CABCVRRESA-N 427.933 2.264 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722620779 UNECSPNQZAFYGE-IBGZPJMESA-N 446.563 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722727575 PHMSZHQGKPCZPY-KSZLIROESA-N 425.599 2.039 30 10 IEEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCOCC1 1724042878 GRUSQFDULPPVSK-UHFFFAOYSA-N 438.532 2.247 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1726771148 AKQYBLIPWLPJLS-WCAVRKLYSA-N 441.532 2.131 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C(N)=O)CCCC1 1727002707 GUYYUYHRCCIAOU-KRWDZBQOSA-N 436.564 2.431 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1740557669 QKPOGIBHUOMFSY-RTBURBONSA-N 445.589 2.356 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(N(C)C)CCSC1 1740683214 YQIVLOWSDOXJHP-JOCHJYFZSA-N 429.590 2.477 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740714968 PIVBSOYONIXIDD-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740792657 KBKIEIXJVJMJBR-AWEZNQCLSA-N 441.458 2.211 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1740957307 JHKXYRNMTZUMQM-KRWDZBQOSA-N 441.561 2.228 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCc2cccs2)CC1 1740957823 BIBRTWQJHSARGC-IBGZPJMESA-N 444.605 2.248 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1741001879 DJGQKBIWHUPCHE-ZACQAIPSSA-N 443.639 2.013 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741392369 OMBKSUDXJZTONE-SFEXGQDGSA-N 428.537 2.323 30 10 IEEE CN(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1747547212 BICOEGQZNCCMNC-DOTOQJQBSA-N 448.369 2.115 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)C1 1748330144 HKJJQIPEPKOWDW-QRVBRYPASA-N 439.516 2.279 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1748822186 ZVBPYUNOBOVAJO-NRFANRHFSA-N 441.601 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCc1cnn(C)n1 1748875196 MRVJXQRXZYJWPQ-UHFFFAOYSA-N 444.543 2.371 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748889646 BVDNKSWBNVBYIB-WOJBJXKFSA-N 448.575 2.483 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749268635 DPCSDXMKFMMSGG-GDBMZVCRSA-N 428.002 2.243 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1749586152 NKJCEGQJKHEWSK-HXUWFJFHSA-N 425.533 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 1749737888 AHYYGLOTZCCGMT-QFIPXVFZSA-N 446.573 2.117 30 10 IEEE C=CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OC(C)C)CCOC1 1749763595 CWYFDCWXJGYBOK-FQEVSTJZSA-N 433.582 2.158 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cccn2)CCO1 1750386200 BTMIAGFQXMHIAJ-AWEZNQCLSA-N 431.298 2.051 30 10 IEEE CC(C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750981669 GTPLYOWRNSYVLD-UHFFFAOYSA-N 436.564 2.444 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCNC(=O)c2occc2C)n1 1751838833 LCJVPWVNYSCJIQ-HNNXBMFYSA-N 438.536 2.457 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)[C@H](C)CCC 1760173747 BFGHIMWUNGSLAG-GOSISDBHSA-N 438.580 2.074 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(F)cc2C)CC1 1760257413 VZBSEDNUONEJGF-XMMPIXPASA-N 441.551 2.376 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCn2cc(Cl)cn2)CC1 1760264452 OPQWFFUHISQOKT-UHFFFAOYSA-N 443.914 2.302 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCOC(C)C)CC1 1760269238 BZGNPSNCDFGHQE-FQEVSTJZSA-N 431.581 2.343 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC2CCOCC2)CC1 1760396354 BFZAOJLXKGAQFZ-INIZCTEOSA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760446615 XQUUHMHPMWRLFL-UHFFFAOYSA-N 442.564 2.184 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnccc1OC 1760461464 UZINZWOVENFECQ-UHFFFAOYSA-N 427.534 2.312 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1760464126 ADFYIYIKKJZUEP-IBGZPJMESA-N 445.589 2.333 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCCC1 1760504121 LIJZGHITNUSHID-UHFFFAOYSA-N 441.532 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1760517525 OZBXCUMYGBIYFA-QAPCUYQASA-N 429.546 2.030 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)C)CC1 1760517924 CEJWSHCFFPAZAK-UHFFFAOYSA-N 432.956 2.440 30 10 IEEE CC(C)(O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1760816610 YBLVCKQQUCKYAO-UHFFFAOYSA-N 432.532 2.018 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCN(C(=O)OC)CC1 1764077057 APMNENPYHYFWJE-OAHLLOKOSA-N 433.557 2.271 30 10 IEEE CCN(C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1764834615 PORLADUWMLPSFD-UHFFFAOYSA-N 434.566 2.339 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)C2)CC1 1765542416 AXQPKGFJPNSBHY-OAQYLSRUSA-N 437.592 2.194 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1766428597 HXMIXNZPCQQXLQ-KRWDZBQOSA-N 427.505 2.292 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1767689767 AOXCVRYDNREHSF-UHFFFAOYSA-N 436.545 2.182 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CC1 1767690235 GHWWNARSFCMSMZ-QHCPKHFHSA-N 434.500 2.280 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCCC1 1767863343 JGYBMSGWGOQPED-MRXNPFEDSA-N 425.537 2.081 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC(C)C 1767942693 KFWDLIKLNLPSFK-KRWDZBQOSA-N 428.541 2.006 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCCO)c1 1770309527 SDYBUPNRQNPMAD-FQEVSTJZSA-N 435.525 2.343 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCCCC2)CCO1 1771535899 CGRWWUTVZWFCDN-LJQANCHMSA-N 425.493 2.458 30 10 IEEE C=CCC[C@@H](C)C(=O)O[C@@H]1CON(C(=O)CN2CCN(c3cccc(Cl)n3)CC2)C1 1851401586 WKUXEWJRCFAGEK-SJORKVTESA-N 436.940 2.145 30 10 IEEE N#CCC(=O)O[C@@H](CN1CCCC1=O)CS(=O)(=O)Cc1cccc(C(F)(F)F)c1 1852208323 XNPZICBZCQJUSM-HNNXBMFYSA-N 432.420 2.068 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)OCCO[C@@H]3CCS(=O)(=O)C3)cc2)c1C(F)(F)F 1852636100 VXLXTLUREKVNCB-OAHLLOKOSA-N 443.403 2.123 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)Nc2cccc(OCC#N)c2)CC1 1852844801 YZMFPXXUXALRRG-ROUUACIJSA-N 428.489 2.243 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1854717198 PPFMKGNUGIFUBE-CYBMUJFWSA-N 449.891 2.341 30 10 IEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)Cc2ccccc2)cc1 1870143135 YSXGUDSFFRDHNZ-UHFFFAOYSA-N 445.527 2.392 30 10 IEEE CCc1nc(C2=C(N)N(CCc3ccc(OC)c(OC)c3)CC2=O)sc1C(=O)OC 1873528508 ATZXNGRHTOLCJW-UHFFFAOYSA-N 431.514 2.264 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccncc1 1874436276 TYUIUTVACXDHNH-ZIFAQYRBSA-N 437.529 2.161 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(-c4cccs4)on3)CC2)CC1 1890190107 UUNBQWKMLHBNBZ-UHFFFAOYSA-N 442.585 2.204 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891614368 RTVGNJPXAKKTEK-MRXNPFEDSA-N 446.467 2.204 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1908265466 QSBUGLXIJZLIQW-UFYCRDLUSA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)F 2060640104 PTDJWWOAXWBBFM-LJQANCHMSA-N 442.272 2.263 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4C(=O)C[C@]3(C)[C@]2(C(=O)CO)O1 2080358552 OHJDQDXOWURJBR-LPPYYIRWSA-N 432.488 2.483 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2214618903 KQQMIRCQCUYRNN-TWMKSMIVSA-N 439.553 2.142 30 10 IEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247937027 HSCJBFBHCPBJQC-SSEXGKCCSA-N 441.359 2.077 30 10 IEEE C/C=C/C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401402 IFALWJSDBPMBSE-VMPCVLLUSA-N 438.359 2.057 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617053 AVAAOSNXXUKDMY-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2255699755 RUHGHSUHTAJIQI-UHFFFAOYSA-N 431.342 2.017 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255838466 GWQXBODRXNYQKE-LLVKDONJSA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256625018 QUXRXSMDLKCWAI-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256635326 BPVAJXOOGOAGRC-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009826 OXZMEIAEVBQTPS-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098880 FFVXTRYRGMFECC-INIZCTEOSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]1C2 2267135407 CEIXCMLOSFPCRO-RRFJBIMHSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2267139077 ATQIUUOYSZIHFF-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267274330 YQJQOEFWXGWFAR-GOSISDBHSA-N 446.353 2.352 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267482999 MDLPQIOHMKFFPJ-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521581 SKDVFGMIAHCTJX-JOCHJYFZSA-N 446.357 2.325 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2312855107 YHFFIAMDDDCWHW-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)C1 2337324716 XVRUQSUAGNAMQI-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE C[C@@H](C#CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O)NC(=O)OC(C)(C)C 2366840682 AEVYRTNYNIHBBS-WFASDCNBSA-N 439.306 2.478 30 10 IEEE CCOC(=O)N1CCN(/C(=N\C(=S)NC2CCCC2)Nc2nc(C)cc(C)n2)CC1 14161512 HBTXHBZEQCUZCO-UHFFFAOYSA-N 433.582 2.453 30 10 IEEE CN1CCN(C(=O)CC2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)CC1 470215125 IREXDOGRTCAELQ-UHFFFAOYSA-N 445.995 2.463 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 481034021 KTTIZWGDZSVUPK-LBPRGKRZSA-N 446.451 2.437 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 503646346 XKXCWOGPLOIKEV-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1cnc(OC)nc1C 506959533 CSOBLVQPQDOYMB-QGZVFWFLSA-N 443.485 2.058 30 10 IEEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c1 520064882 MPLHRUTYVVKPDB-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)cc1[N+](=O)[O-] 521250547 ANPHPXCAYKPHOT-UHFFFAOYSA-N 427.482 2.280 30 10 IEEE CS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)c(Br)c1 549239207 RAJGWRQCQKQBIA-UHFFFAOYSA-N 435.365 2.461 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 563328752 BOJNUYVGAOCNAD-MRXNPFEDSA-N 444.517 2.138 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 573341399 APKJJZVYWPSCFC-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCN(c2ccccc2Cl)C1=O 586859315 ZBISFBAXJFTCJR-SFHVURJKSA-N 428.851 2.231 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C2CC2)C1 670215966 ZKLAMRFLSKOSAT-IBGZPJMESA-N 431.562 2.387 30 10 IEEE Cc1occc1C(=O)NC1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 727437086 MJPVBFXCNQPVKA-SFHVURJKSA-N 433.468 2.308 30 10 IEEE COc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1OC 727742671 DEOCUTOMSHJOPG-UHFFFAOYSA-N 433.486 2.170 30 10 IEEE CN(Cc1cc(Br)ccc1F)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465112 CLRNWFQHEWWJHK-NXVVXOECSA-N 425.258 2.256 30 10 IEEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)c1ccc(C#N)cc1 740204508 JNHUCYFJSVDWQY-XYELWLDHSA-N 428.466 2.296 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O)(c4cccc(C)c4C)CC3)CC2)o1 741808460 JVCXHKKVZNRVHM-UHFFFAOYSA-N 437.544 2.104 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 747971616 QEOQYXWJROSGFA-CAUNFOBBSA-N 434.440 2.030 30 10 IEEE COC[C@](C)(CCO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 758227775 NGNLYBKACHNPTL-IRJMIRDBSA-N 440.566 2.189 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 779350246 ABLKVLKBTHLDLG-PFFGMESJSA-N 438.315 2.398 30 10 IEEE CSCCCCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C)c2)c1=O 782251574 PJHWRSBWNDJSKD-UHFFFAOYSA-N 444.626 2.439 30 10 IEEE C[C@H]1NC(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)=NN(c2ccccc2)C1=O 783865225 BEGOZNYVBUHJRE-LSJNQWAISA-N 432.484 2.098 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)C2=O)cc1 784909253 SAZXCKKWWCPHFX-QFIPXVFZSA-N 433.424 2.371 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 786791744 HNKBGAAIZNEBMV-GFCCVEGCSA-N 437.522 2.248 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)ccc1F 788839933 ZRAORJQDUMBSAY-UHFFFAOYSA-N 435.477 2.428 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)n1 788860002 AZQYQPLFPRBPNI-QHCPKHFHSA-N 439.560 2.056 30 10 IEEE C=CCn1c(-c2ccccn2)nn(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1=S 802745494 AOFSQZKYVFWUGR-UHFFFAOYSA-N 434.591 2.119 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 811523521 DIUHRIRHCKHECK-KRWDZBQOSA-N 435.343 2.478 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)c1ccc(F)cc1 812527730 ZPGCANHAWXJBJI-INIZCTEOSA-N 430.548 2.022 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1nccs1)C(F)(F)F 818309636 BPIQRWNNHMWWPQ-ZDUSSCGKSA-N 432.449 2.382 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)ccc1F 914739581 YVEOAXDVTWXMPR-HZPDHXFCSA-N 428.551 2.417 30 10 IEEE COc1ccc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 1084188348 XJLRCWDSZFUJEC-UHFFFAOYSA-N 440.485 2.397 30 10 IEEE C=C(CCC(=O)OC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1142090015 GIKHKIOVFAVIEL-UHFFFAOYSA-N 427.480 2.068 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1148426402 FCEIAEOUCLESMC-GJZGRUSLSA-N 426.539 2.431 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 1148787316 KGEBYKZTFCAJDU-GOSISDBHSA-N 445.516 2.169 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)c1 1154093050 UXVDJHNTBDOZEW-OAHLLOKOSA-N 428.510 2.375 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)cc1 1191644129 YOHHTFDEZJFJQS-RBUKOAKNSA-N 430.530 2.083 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1 1286306561 WKDYGVCTWZMJNV-MOPGFXCFSA-N 428.556 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C2CC2)CC1 1286402578 YSVBBZJGSSKBKY-UHFFFAOYSA-N 437.569 2.458 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(N)=O)c1 1286450203 OEHQNSMFYXWACW-UHFFFAOYSA-N 436.541 2.071 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCCn1cnnn1 1286457794 DAWUBBIYTMNTGA-UHFFFAOYSA-N 431.479 2.120 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286546213 HIZCFNKNPVAAAM-QZTJIDSGSA-N 446.596 2.092 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1286557620 JPXJOQRPIBVIPN-VWPQPMDRSA-N 439.560 2.110 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1286773296 MVUBGVPTLGRTNG-LXPRWKDFSA-N 426.583 2.024 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1288983146 JVMYENHAXOKVFD-OAHLLOKOSA-N 444.517 2.418 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)n1 1290645559 BFWYXUZXKLQRPQ-XLIONFOSSA-N 440.596 2.379 30 10 IEEE C#Cc1cccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)c1 1299356704 UONNLKKVKOFTHX-QFIPXVFZSA-N 442.537 2.449 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1300268527 RQOQYADHOFQKHF-LJQANCHMSA-N 442.608 2.396 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300381345 CIERHOYZEFZZAL-IHPCNDPISA-N 428.537 2.117 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300482425 FPIYFYXRZZKEFB-KRWDZBQOSA-N 434.949 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc(C)s1 1300511910 QYHCGGIMZXXIOZ-UHFFFAOYSA-N 438.513 2.252 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300540870 FLVYKPUZBSZLHV-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1 1300578579 MTIAZRMLJNBTBL-LVIWNVNYSA-N 432.590 2.238 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 1300640934 PAIPTNKCVMDRIQ-SFHVURJKSA-N 435.546 2.467 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300912785 LRHIWKRZUHWTPT-HOTGVXAUSA-N 444.502 2.285 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1301166176 QRSZWQJSFYANEN-DVECYGJZSA-N 436.560 2.462 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C(=O)NC 1301220598 DKTBSSFLJKEFTO-QGZVFWFLSA-N 426.569 2.237 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCSC1 1301482828 CXVOZHZGDLWOJH-LBPRGKRZSA-N 425.356 2.280 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2CCOC2)CC1 1301506060 GITMQXJTNLUMQI-HXUWFJFHSA-N 439.560 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC2CCCCC2)C1 1301535597 MGZJDJIIMJXOQB-GOSISDBHSA-N 432.569 2.037 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccco2)N(C)C)C1 1301565673 FORBFHAVIJBDMS-ZWKOTPCHSA-N 428.537 2.078 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCC2)CC1=O 1301928188 SYVNXAVJAULPKP-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301935640 VGMDZWDYGYOPOH-IERDGZPVSA-N 438.532 2.259 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CCn2cncn2)C1 1302978287 AZILXSNQTVOGPY-KRWDZBQOSA-N 431.273 2.441 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1ccc(OC)c(C#N)c1)N2C(=O)OC(C)(C)C 1303060427 NIXZJJUSWNCKIB-PBWTXFEYSA-N 443.500 2.370 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C2 1304490128 FVJCCHTVILJRQC-UHFFFAOYSA-N 445.353 2.372 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1314633200 GCKBXHIDCKFPDZ-UHFFFAOYSA-N 444.543 2.319 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1315825011 NHZLKMOZVCUATA-RADWXHQJSA-N 445.495 2.097 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)cc1 1355745377 LLSSJSDSNAVLFD-PESPDQJRSA-N 432.546 2.134 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnc3n2CCOC3)cc1 1356319783 TZGFWUABJLHAIG-PTGBLXJZSA-N 431.518 2.259 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1358894374 NEXLARNOHBCUGW-ROUUACIJSA-N 434.544 2.303 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358966871 YLFHJBUVCXSGKL-HXUWFJFHSA-N 427.574 2.275 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359059064 ZTVCQYIHKZRAOB-SFHVURJKSA-N 426.590 2.323 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1359222964 XDGAIFUZHSUNPB-QGZVFWFLSA-N 425.541 2.149 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1359240606 SQRMCMYYPLJEFM-SFHVURJKSA-N 430.578 2.114 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1359261601 OPNBTCIBSXTMMY-QGZVFWFLSA-N 426.496 2.011 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1359303789 AXCATMGMYKLKQE-IBGZPJMESA-N 438.532 2.186 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](C(=O)OC)C1 1359304823 KTWLABWBRDCYMC-SFHVURJKSA-N 441.532 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccccc2[C@@H]1C 1359334470 HHPLULNJRKYDNC-KRWDZBQOSA-N 443.573 2.125 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359341874 JPIUBKNQMRXGGE-KRWDZBQOSA-N 443.639 2.299 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1360288810 HIKSUQZURBFGSP-UHFFFAOYSA-N 444.543 2.059 30 10 IEEE C=CCN(C(=O)c1ccc(OC)c(-n2cnnn2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1435899216 DIYNDKHHKLQUJJ-HXUWFJFHSA-N 435.484 2.474 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc21 1443893718 JXBLLJSKTWOFPK-HXUWFJFHSA-N 432.528 2.154 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)s1 1446512944 IAOLZSYREVLRKP-INIZCTEOSA-N 448.614 2.492 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 1459403417 ZFMIHIOFBDJKRH-SJORKVTESA-N 426.542 2.460 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCCN(C)C)c(OC)c2)c1 1464873360 QVWZHACPZKXVQL-UHFFFAOYSA-N 444.553 2.363 30 10 IEEE C#CCN(CC(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1)C(=O)OC(C)(C)C 1464944692 DMWQFFYUTKLVJJ-UHFFFAOYSA-N 445.545 2.313 30 10 IEEE N#Cc1cccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1Br 1465809801 NAVCXBYPMMLRJF-UHFFFAOYSA-N 440.241 2.365 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)[C@H](C)O)c1 1470646188 XDWTUZJEMAGNTN-IFXJQAMLSA-N 438.933 2.193 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1478351302 VQPQHHIKPHDXLV-MOPGFXCFSA-N 425.526 2.402 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1503274129 OSYPJQREGDTJDJ-HNNXBMFYSA-N 434.591 2.088 30 10 IEEE COc1ccc(OCCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1504312698 MMQYYCDVMUWHHH-JOCHJYFZSA-N 442.495 2.320 30 10 IEEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1504467639 BOSGWYQYLZDCMH-GUDVDZBRSA-N 429.546 2.255 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)OC 1504579245 HSEOVAMHKIISOL-IBGZPJMESA-N 440.548 2.173 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1504829473 JALFXINRZAUXSH-VQTJNVASSA-N 427.505 2.149 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)C1 1505123423 HELKXCJSXMQQTA-OAHLLOKOSA-N 425.461 2.069 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCSC2)c1 1507552722 RRQXQPMXORTLIB-GCJKJVERSA-N 441.557 2.054 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507569224 DGEJEXMPYGPSNN-UHFFFAOYSA-N 438.507 2.196 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1507667598 PHJKPGDSFMPUHU-QZTJIDSGSA-N 440.548 2.092 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1ccnc1C 1507693759 GVJKLPAOZLQIJW-UHFFFAOYSA-N 446.603 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2OCCC2(C)C)CC1 1507739955 MISAOUPEMJQHAY-FQEVSTJZSA-N 436.560 2.045 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1507782944 BKXOMIAFMKCABZ-HZPDHXFCSA-N 426.359 2.433 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1508164471 IUAJIYYJPMRXSJ-JOCHJYFZSA-N 428.606 2.484 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CCO1 1508374585 GYSQBJKZABPKQZ-OALUTQOASA-N 426.546 2.054 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1510721240 FJVSFZMRKJWEAV-IRXDYDNUSA-N 439.520 2.201 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(OC)CCC1 1516591601 COBSDRRUYNHRBR-UHFFFAOYSA-N 425.537 2.367 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1nccs1 1517306415 XGOYRHDIZRJXKO-UHFFFAOYSA-N 430.559 2.387 30 10 IEEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)c(OC)n1 1518253641 AAZMIKMNYWOITC-UHFFFAOYSA-N 439.520 2.105 30 10 IEEE COc1cccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1518350587 IRQXBKNHHNSECF-SLFFLAALSA-N 426.521 2.170 30 10 IEEE COC[C@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C#N 1518743450 CRAQYERWPKUELI-UKRRQHHQSA-N 437.545 2.127 30 10 IEEE CS(=O)(=O)CCCCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1519523601 JDTCKUBEIIEPIW-LJQANCHMSA-N 431.562 2.007 30 10 IEEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)no1 1527431194 PODWKDZXUMUCMO-XLNRJJMWSA-N 434.474 2.307 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)n2)cc1 1533174117 HBGBQHHXWLIIII-UHFFFAOYSA-N 435.918 2.466 30 10 IEEE CCOC(=O)C1([C@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CCOCC1 1538691977 QNBOTACSUFFZCG-INIZCTEOSA-N 427.505 2.015 30 10 IEEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(I)cc1 1539168215 SEWUXCXHWIRSCA-UHFFFAOYSA-N 430.253 2.457 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCN1CCOCC1 1539391202 AWLOKNMCBSUSOM-HXUWFJFHSA-N 427.524 2.283 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOC)CC1 1539446855 KLYGZHMGTUSPQE-LJQANCHMSA-N 446.596 2.184 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539454339 LVRQWPMTOXHGPL-RBBKRZOGSA-N 437.588 2.500 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCC)CC1 1539519932 LDMMCWCPRPCPAF-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1540084081 MSPMYPIDSPSJDK-GOSISDBHSA-N 433.578 2.118 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540864934 PIVIHUXOCGOKCD-CZUORRHYSA-N 439.438 2.412 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1540889755 SYDWYYWCIPDNHX-JKSUJKDBSA-N 437.470 2.401 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C1CCC1 1541112758 KDOPPUVFLKEBJZ-HNNXBMFYSA-N 448.531 2.496 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cnc4c(c3)NC(=O)CS4)c(C#N)c2N)cc1 1545163681 NLISSNXQVOXVHE-UHFFFAOYSA-N 447.524 2.436 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@@H]1C 1545535292 DNUDGZLDRADDNK-OALUTQOASA-N 438.580 2.106 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCn1cncn1 1555544343 BMQMSBYSQVBJEZ-UHFFFAOYSA-N 431.504 2.100 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCS2)c1 1555987104 IBEVVHPNHUWWNN-GOSISDBHSA-N 426.546 2.183 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(Br)n2)CCO1 1555996405 ZKDMMCCCTDIVHH-INIZCTEOSA-N 440.305 2.198 30 10 IEEE N#CCC1(O)CN(C(=O)c2c(I)ccc(Br)c2F)C1 1556250594 ZITZROSTSFXGCT-UHFFFAOYSA-N 439.022 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)CC1 1558026566 WNDHNODQAWMMMG-IBGZPJMESA-N 431.455 2.306 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)N(C(=O)OCc2ccccc2)C1 1583816799 MHBCPWSYPMGNOS-VSKRKVRLSA-N 437.496 2.476 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1585881560 CEOGIONPXQFWSF-QGZVFWFLSA-N 432.542 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C(C)C)C(C)C)CC1 1588929527 CCOXEUHKVTYZRZ-NRFANRHFSA-N 444.624 2.257 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1593872411 HFSROYLFBPIFMR-MRXNPFEDSA-N 449.342 2.484 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)OC)c2)C1 1595665622 YJRRLBHLXNBUHN-GOSISDBHSA-N 442.520 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1COc2ccccc2O1 1595784530 IDQKEHHXNMFTEZ-INIZCTEOSA-N 443.529 2.150 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC1 1596101796 DJAYEILCBCPADB-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1609928338 FEJIDLMOCSQBHZ-UHFFFAOYSA-N 428.447 2.417 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCc2cnn(C)n2)CCOC1 1610465262 PBZQEEIAKUZHGV-YADHBBJMSA-N 442.568 2.210 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1612495774 BYSHRWTVCRIGFG-WIYYLYMNSA-N 445.593 2.095 30 10 IEEE N#Cc1ccc(CCN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1615342518 BSGRYBBIHZKUND-UHFFFAOYSA-N 427.526 2.269 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(OC)C1 1617370458 WIBUQAFQTYHLGH-OAQYLSRUSA-N 446.577 2.151 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1619770240 BZWPDOUZPHSOOE-AWWSKVOZSA-N 425.533 2.465 30 10 IEEE Cn1ncc(Br)c1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1624379942 HORQHMDIMFUQLW-UHFFFAOYSA-N 446.284 2.324 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCCCCC1 1628386325 TYOYAKOTHDRAOV-VGVBMJIYSA-N 434.537 2.493 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1635514204 QCZPCFGCXYCLIS-UHFFFAOYSA-N 427.526 2.357 30 10 IEEE CN(C)C(=O)O[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1637027180 ATUKJWPVCGWKIH-QNOZYLDQSA-N 434.537 2.462 30 10 IEEE N#Cc1ccc(OCc2cccc(C(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)c2)cc1 1641530458 AJRZIWTZLPUENT-UHFFFAOYSA-N 430.468 2.305 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1C[C@H](CO)OC(C)(C)C1 1643159983 DVSXLXPZDUJAPE-MJGOQNOKSA-N 429.517 2.391 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C1 1647064691 BREMFYMHWOTCHG-QGZVFWFLSA-N 426.517 2.151 30 10 IEEE Cc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1C#N 1652209321 FPLDWQPBMUCLEO-UHFFFAOYSA-N 429.502 2.323 30 10 IEEE C#CCN(C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1652832427 IKTQUOHKKOHODD-RBUKOAKNSA-N 436.574 2.426 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C[C@H](O)COc4ccccc4[N+](=O)[O-])CC3)n[nH]2)cc1 1654990305 CSAJKGOFSIYEAS-IBGZPJMESA-N 448.483 2.418 30 10 IEEE C#CC1(O)CCN(Cc2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCCC)CC1 1659571424 VBKACJFTUSPDRK-UHFFFAOYSA-N 435.528 2.107 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1665154022 ITCCTUJMCVVDCH-QAQDUYKDSA-N 435.546 2.420 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OCC 1665221594 KVLATOIQLAGSQH-SNVBAGLBSA-N 440.337 2.473 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccnc(-c4ccccn4)n3)C2=O)cc1 1686084557 PDQXOXCUKJUEGH-FQEVSTJZSA-N 427.468 2.405 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1689930497 SKZQYPSLCWFECN-IEBWSBKVSA-N 431.562 2.222 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1690077740 VTVQKWNABODLAH-UYAOXDASSA-N 445.589 2.264 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690300791 KSKYLJOUHGNXMS-DLBZAZTESA-N 444.511 2.364 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1690305692 FTXHDDDQYOEUHO-MRXNPFEDSA-N 443.504 2.196 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NCCC)CC1 1690372401 LYNVSASBRYHXFU-UHFFFAOYSA-N 445.593 2.311 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)cc1 1690607577 QLONUMSGPBFBJM-LJQANCHMSA-N 434.500 2.205 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCCCO1 1690665416 CFULECLCOMYDEE-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690669025 QVUFASATBVKEQU-UHFFFAOYSA-N 443.515 2.168 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC)C1 1690697181 PXESTQRYLSTZIM-INIZCTEOSA-N 434.566 2.056 30 10 IEEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1695703436 FJBAKWYAXUCCKR-LJQANCHMSA-N 428.562 2.477 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1698302033 BRGSSQRGIJLCNZ-WIYYLYMNSA-N 447.536 2.207 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1705507621 ATIBWVIJSOYHHM-SFHVURJKSA-N 426.908 2.394 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705533631 PUJVIYWAOQNDRB-DLBZAZTESA-N 430.553 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705932953 PHAMJVFYRIAPBC-ZFWWWQNUSA-N 445.467 2.097 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1712836280 UGQMEGATWZIHGY-ATZDWAIDSA-N 429.546 2.113 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1722341061 QWGNBGRIPAGQDA-WMZHIEFXSA-N 431.581 2.033 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722468050 FUABKVNFSJHMPI-ISHFTEKXSA-N 433.597 2.494 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCn1cncn1 1727236836 MMDGFCJZGMKKLZ-QUCCMNQESA-N 447.547 2.232 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCCC1 1727658262 CTUMNOORXLXRGJ-IBGZPJMESA-N 438.532 2.403 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1729930131 YEEFRHITVVUSIP-DHIUTWEWSA-N 438.532 2.212 30 10 IEEE COCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730700417 JXKUQDRYLVYNPX-KRWDZBQOSA-N 448.531 2.367 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC[C@H]2COCCO2)CCO1 1731188024 BCQFSZIELJMTMJ-GJZGRUSLSA-N 448.321 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1740545120 NZJIMKZRPBVOIP-SFHVURJKSA-N 433.560 2.059 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1740647627 RYVDJJIUJPMRBL-HSZRJFAPSA-N 432.484 2.327 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1740669219 RLUOTXNGJLFVCJ-UHFFFAOYSA-N 430.516 2.225 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O 1740669832 IPLNYINJOACMCB-HSZRJFAPSA-N 444.580 2.330 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2cccs2)CC1 1740702821 YGWLENYYQDGHBQ-INIZCTEOSA-N 442.589 2.249 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740719819 ROBBEGIRGVEKNR-OAHLLOKOSA-N 431.512 2.325 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740746411 QTDSSGKNEDBGQI-IAGOWNOFSA-N 449.349 2.446 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1740893846 ZIPFMWJWNLZBDL-UHFFFAOYSA-N 438.488 2.135 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nncn1C 1740914646 JDUKMQQSSSKXOD-HSZRJFAPSA-N 448.531 2.171 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccccc1)CC1CCOCC1 1740957409 MQTCTEBQDGUIKO-UHFFFAOYSA-N 449.559 2.414 30 10 IEEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1741629374 FLFWGXGLLWHWDK-QFIPXVFZSA-N 437.592 2.194 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1747381938 GCMQEZYDWVIECZ-SIKLNZKXSA-N 443.573 2.317 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1747512380 STAMZQHJZXNLFM-UHFFFAOYSA-N 441.605 2.170 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2cc(C)nn2C)c1 1748698775 XVPSOKYUQCWBSX-HXUWFJFHSA-N 433.516 2.276 30 10 IEEE C#CCCCn1c(N2CCN(CC(=O)NCC)CC2)nnc1C1(c2ccccc2)CCC1 1748764839 XWRGMWLCGZOYIW-UHFFFAOYSA-N 434.588 2.420 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@@H](C)CC 1748788388 BNQPZDWLPUOMBL-ROUUACIJSA-N 434.585 2.386 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748825472 ZNLSWTSSJUEJQB-HXUWFJFHSA-N 430.574 2.301 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)CC1 1749135418 FCIKUTULMKJTCN-LAUBAEHRSA-N 446.573 2.416 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1sc(C)nc1C 1750154389 MYTIILJYGFGOSP-BQFCYCMXSA-N 432.550 2.047 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760198365 GXXXXKJXPAPGCI-VZCXRCSSSA-N 434.887 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2OC)C1 1760217872 PMMKPLYMLLWEHQ-PMACEKPBSA-N 446.555 2.227 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2C(F)(F)C23CCC3)CC1 1760252197 NGDUVSQWNHCQKF-QGZVFWFLSA-N 434.535 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(CC)(CC)OC)CC1 1760269359 GHHBMXCISZEFTL-LJQANCHMSA-N 431.581 2.343 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1760278791 HFQQNLGVWACQLE-UHFFFAOYSA-N 443.483 2.455 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1)S(C)(=O)=O 1760702313 RDBWCVUUXFCHDV-GJYPPUQNSA-N 429.546 2.420 30 10 IEEE CCCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1764574423 AURIMURCKYBFLZ-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1766192899 SRCJAUZOEGCUIH-IAGOWNOFSA-N 426.521 2.428 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)CC1 1768279370 DSAPRGVOKYWHNE-UHFFFAOYSA-N 444.561 2.047 30 10 IEEE COCc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769358139 MPNCSYHTQNJRRM-OFNKIYASSA-N 441.532 2.242 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(Cl)cc1 1771223429 WMOSQRLMBBGZON-CRAIPNDOSA-N 435.912 2.463 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1F 1852593085 YQNPAMQMSIDFST-AWEZNQCLSA-N 443.504 2.315 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1c(C)cnn1C 1854500529 ZOYZJJCKLYTOFK-UHFFFAOYSA-N 428.514 2.211 30 10 IEEE COc1ccc(SCC(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1 1854997644 CZZKRCCDBQWQEK-ZWKOTPCHSA-N 430.574 2.225 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)[C@H](C)C2=O)cc1C#N 1857098047 HPYAWSAWDWNPRI-CYBMUJFWSA-N 433.436 2.207 30 10 IEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1861510848 RQCXXWJBWCLNFR-NRFANRHFSA-N 447.491 2.398 30 10 IEEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513080 MFVZQKSVYMWEQI-HXUWFJFHSA-N 434.496 2.469 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1868820477 RUCSIQVEQSVUOF-QUCCMNQESA-N 436.549 2.269 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN(C)Cc1ccccc1 1870541984 LCZYDIJBLNDBJW-OAQYLSRUSA-N 425.529 2.340 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2cn(C)c3ccccc23)CC1=O 1874341940 WKTDBCRRAWCEMI-URMYYVDKSA-N 426.546 2.461 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2215652692 FFPNPVXVUDWJIC-GFCCVEGCSA-N 448.305 2.463 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435684 VGPCLOWGQLYCFN-OAHLLOKOSA-N 430.376 2.445 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2247834940 DFRAGWAIAMKKAK-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247860198 SZLVWFFXGHTHSI-MRXNPFEDSA-N 432.351 2.092 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630713 OBZAMEVSEJQKIK-ZDUSSCGKSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255694575 PUMCJTOOONUOOC-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255811805 DANHKBVBURQNGV-YPMHNXCESA-N 430.232 2.250 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255841917 KFQXTOLDHJZCNU-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)(CCO1)C2 2256627638 WVMVPPPGPALHHU-UHFFFAOYSA-N 434.342 2.201 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2267092157 UVDFNPQJOPPGIK-FOLVSLTJSA-N 448.373 2.330 30 10 IEEE Cn1cc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267128261 PHZRAZJBFPYPFT-HUUCEWRRSA-N 448.373 2.141 30 10 IEEE Cc1nn(C)c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267200309 VCNYCDAEEHJOSE-LJQANCHMSA-N 438.381 2.374 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC4(C3)OCCO4)s2)OC1(C)C 2267368757 NPMNJCLDMGVCHX-CYBMUJFWSA-N 429.369 2.011 30 10 IEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267510521 MEXDSQXLVZZNIP-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267550119 VEZPQDCUBYWYJO-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267610406 ZXIUIMUQXCBCDY-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE C=CC[C@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286025572 HDBKNVNSALILNY-PKOBYXMFSA-N 438.546 2.462 30 10 IEEE COCC[C@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)[nH]1)NC(=O)OC(C)(C)C 2315390875 VAHPHCVQFAIXBX-QGZVFWFLSA-N 435.374 2.453 30 10 IEEE C=CCOc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)N(CC)CC 2330718135 LTFJUYYZOCVGLA-UHFFFAOYSA-N 444.561 2.322 30 10 IEEE COCCc1nnc(SCC(N)=O)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331265865 JJQWCKOBFNKVJG-UHFFFAOYSA-N 439.497 2.146 30 10 IEEE COc1[nH]c(=NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339784949 KPGVPRAHRHERCK-HLLBOEOZSA-N 445.369 2.479 30 10 IEEE CC(C)n1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 20910351 KFWWHWRPFSIVHV-QPSGOUHRSA-N 442.505 2.165 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)c1 58994335 KABSDYXRFMXKJK-AWQFTUOYSA-N 444.473 2.410 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1C 461758651 WQESFMFEBRHCAR-UHFFFAOYSA-N 438.513 2.453 30 10 IEEE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 466528365 OACZBLJQZJQCCJ-IBGZPJMESA-N 448.928 2.417 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 473579177 VJCXEXUABQPFNY-OAHLLOKOSA-N 438.962 2.380 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CS(=O)(=O)c3ccc(C)cc3)cc2C1=O 479276106 HVACZLIVUPYIIC-HNNXBMFYSA-N 426.494 2.369 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)cc1 480990058 NZXRZXPLLXSOMD-UHFFFAOYSA-N 437.275 2.260 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(F)c1 481020194 ILYQDMXCEGRWJJ-UHFFFAOYSA-N 438.488 2.389 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C[C@@]2(CCOC2)O1 485094516 UBEUDMPTKOBUKI-OAQYLSRUSA-N 426.498 2.417 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 504869648 NVCNGAPOBKPULW-FUHWJXTLSA-N 447.561 2.109 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC1 520040478 FHKHPUPPHGOSRM-WERVVEIQSA-N 427.574 2.121 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 522386406 RDYNPPOVMVIQNK-QGZVFWFLSA-N 441.509 2.115 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cc1 522673383 MFZCIPAGXWSYES-LJQANCHMSA-N 438.549 2.360 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2occc2C)c1=O 525265768 IKRNHTIOHBISQG-UHFFFAOYSA-N 438.505 2.242 30 10 IEEE N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)CCN4C(=O)CNC4=O)cc3)cc2)CC1 540739387 WHZJUXNYACOYIY-UHFFFAOYSA-N 431.452 2.374 30 10 IEEE C[C@@]1(C2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)NC(=O)NC1=O 541107616 ZTIQVILBGPJDIO-FQEVSTJZSA-N 441.879 2.239 30 10 IEEE COc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2)c1=O 590898385 BEFMEXQOFYSHCN-UHFFFAOYSA-N 433.533 2.183 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 608474401 FGOULBDMEHPGAQ-MRXNPFEDSA-N 449.463 2.079 30 10 IEEE N#CC1(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCOCC1 609666389 CSGQNBAISYUVBA-UHFFFAOYSA-N 425.510 2.236 30 10 IEEE CCN[C@H](C#N)[C@@H](C)n1cnc(I)c1I 699290853 MJJDWDUHKANASR-RNFRBKRXSA-N 430.031 2.155 30 10 IEEE Cn1cc(/C=C/C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O 727750731 HIZCGXMZESSCBF-QYFOZDBKSA-N 430.464 2.057 30 10 IEEE COc1ncccc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730142204 NIRZZHBFAUEDRM-GOSISDBHSA-N 441.557 2.290 30 10 IEEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\Cc1cccc(C(F)(F)F)c1 730144116 HLAUJSSFVHWXQI-XZHXWOGCSA-N 440.491 2.207 30 10 IEEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1C#N 746767960 DLNYGYDSIBZZEC-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(OCC(=O)O)C1 757547952 BLGWGDQLFHSEIV-QFIPXVFZSA-N 448.475 2.229 30 10 IEEE C#CCCN(CC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 767151587 CLOOSPHBDKUHCB-LJQANCHMSA-N 425.407 2.185 30 10 IEEE C#CCN(C(=O)NCc1ccc(Oc2cccc(OC)c2)nc1)[C@@H]1CCS(=O)(=O)C1 774166534 PUQRTTKJYFDDSP-QGZVFWFLSA-N 429.498 2.214 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C#N)cn1CCOC 775766706 CGGNQBGHBCBQHE-OAHLLOKOSA-N 449.508 2.314 30 10 IEEE COc1ccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1-n1cnnn1 781779175 CZKLPPJFCIXQOO-FAGJFJLWSA-N 426.477 2.147 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccnc2C(N)=O)c1 787072783 SFOAGESPQPPKDZ-JJIBRWJFSA-N 429.502 2.026 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 787995084 LZTJSDCNALFANC-CVDCTZTESA-N 433.597 2.154 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N(C)C(C)C)nc1 789967109 BFZKAMQAGULHTR-OAHLLOKOSA-N 428.566 2.403 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccc(C#N)c(OC)c3)CC2)cc1 793275034 XPMJMTHNLRYJHL-KTKRTIGZSA-N 434.496 2.097 30 10 IEEE CCOC(=O)NCc1ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 796722966 LUHDBXVTAVFECQ-UHFFFAOYSA-N 445.472 2.480 30 10 IEEE Cc1ccc(CN(CCO)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)o1 797616640 WHCPFOBEVSXQPU-QOCHGBHMSA-N 434.518 2.427 30 10 IEEE N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 803921403 LVUJJPBBMJFVMM-LAUBAEHRSA-N 439.447 2.288 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cnn(C)n2)C1=O 807929331 UOCIKZCSTGNYEP-CYBMUJFWSA-N 440.501 2.398 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(CN3CCOCC3)cn2)C1=O 809960962 HVCNYTBKNGYSTR-JOCHJYFZSA-N 431.537 2.230 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 810738652 ZAJNNZOLBRUJIO-BDACHGGBSA-N 448.519 2.044 30 10 IEEE COc1cc(C)c(CN2CCN(C(=O)COC(=O)c3cscc3C#N)CC2)cc1OC 814613044 ZPUZZLRZRXSAOJ-UHFFFAOYSA-N 443.525 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 814665836 SRMZOLGMACJWHC-IBGZPJMESA-N 426.517 2.375 30 10 IEEE CO[C@H]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 815381965 WRBOOJOOFGPZJG-WBVHZDCISA-N 442.472 2.203 30 10 IEEE C[C@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN(Cc2ccccc2)C1 1130611165 YZOXPQVOKSWBLS-QFIPXVFZSA-N 426.542 2.273 30 10 IEEE N#Cc1c(CCCNC(=O)CCCOC2CCOCC2)nn(-c2ccc(F)cc2)c1N 1136199541 CSTZAQHVWIHTNK-UHFFFAOYSA-N 429.496 2.490 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc1 1139227204 JHZXLBARRBRMHH-GOSISDBHSA-N 442.541 2.374 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 1161325575 AAUHDSJEBIWHQB-KRWDZBQOSA-N 444.475 2.419 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1169299890 ILGPPAHZEFMMPZ-HNNXBMFYSA-N 447.469 2.172 30 10 IEEE COC(=O)c1cc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc(C(=O)OC)c1 1175210511 AEVRWTOYNZNVGV-QHCPKHFHSA-N 436.468 2.151 30 10 IEEE N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 1175930515 AGAGCEPIKQIKLK-NRFANRHFSA-N 438.528 2.257 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)c1C#N 1269303680 XTPSMOOETGWUFU-UHFFFAOYSA-N 427.306 2.126 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286338767 DYIYLCWVNVVTHH-GOSISDBHSA-N 443.573 2.115 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CCOCC1 1286358995 PWNUBXKJQIWTNT-UHFFFAOYSA-N 438.576 2.146 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1286385209 WCXMKVWZUDTMPO-GOSISDBHSA-N 429.502 2.446 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1286386053 SYVBGZCHLLYSEW-SFHVURJKSA-N 440.573 2.093 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388810 VPWMOYUGLFBKEO-SIKLNZKXSA-N 428.558 2.387 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC[C@H](C(F)F)N1CCOCC1 1286412852 NKZJYKABBQMBRK-GOSISDBHSA-N 433.528 2.359 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](COC)C1 1286543866 CDDFZEFNXVBWOX-AWEZNQCLSA-N 428.356 2.394 30 10 IEEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1286759754 GNOWNLICIOEJES-UHFFFAOYSA-N 446.573 2.284 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286787829 JZDOYQGLMHJRNU-MRXNPFEDSA-N 446.502 2.079 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)c2ccccc2)C1 1286799757 AAJOPFLMUVLFOD-HKUYNNGSSA-N 431.562 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(C)c2)CC1 1286820930 VZCZPSQWCKAUKM-LJQANCHMSA-N 445.589 2.018 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286834063 YSHJLIMXLSINFL-GOSISDBHSA-N 427.578 2.223 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1288614390 FFDQSZAIMYYWRD-SFHVURJKSA-N 441.543 2.360 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(I)cc2N)CC1 1290434850 WLWNDUJRRZLPIV-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE CCOC(=O)CON=C(C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc[nH]n1 1296380268 SXVLNWGMYLYEDL-HNNXBMFYSA-N 443.287 2.240 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1(C)C 1296930717 GUCXYCXDIIOARL-ZWKOTPCHSA-N 446.577 2.006 30 10 IEEE COc1cc(CNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1C#N 1297526253 VIJVOQRLCXMXHV-IBGZPJMESA-N 432.521 2.239 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@](F)(C#N)C1 1297761327 ZDXOPGXKQZKLKU-SFHVURJKSA-N 440.932 2.370 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1300466056 TYHIPEPXFLMVGZ-HKUYNNGSSA-N 444.580 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)SC 1300575552 YLZKWURKTNPVCA-MRXNPFEDSA-N 430.603 2.453 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC1CC1 1300647511 DDLDQMZCGASHEH-IBGZPJMESA-N 425.508 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1300805462 DMVNKPJNIBTROA-NZQKXSOJSA-N 441.601 2.304 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCNS(=O)(=O)CC 1300808527 WJVWKMDOOJUECO-JOCHJYFZSA-N 445.589 2.003 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300883740 FIYZCXHTGHDNMK-FHWLQOOXSA-N 446.596 2.393 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1300899798 IXEITXZYAOUOKZ-GOSISDBHSA-N 446.621 2.349 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1301060518 GYPKSHYJGXCCEB-NVXWUHKLSA-N 425.961 2.244 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1301298125 ZAZVPPPIPZDTAA-QGZVFWFLSA-N 439.969 2.129 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C[C@@H](C)O1 1301359359 GOPDSULKDVVDNS-DYVFJYSZSA-N 425.518 2.265 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301569559 ZDKDIFDFXAHDRC-IAGOWNOFSA-N 425.599 2.133 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@H]1C 1301606969 ZVCJPUABXXOOEQ-OAHLLOKOSA-N 436.607 2.383 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)cn1 1312442327 HOCGFAGEHNDWLG-LJQANCHMSA-N 442.882 2.383 30 10 IEEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1=O 1313916364 AONKVHQHNNGWRQ-KRWDZBQOSA-N 430.459 2.300 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1314443755 UHIUDMQXNCZHGZ-FPOVZHCZSA-N 441.532 2.397 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C[C@H]1OC 1316333712 FIKFFRHSDLMDRW-OYRHEFFESA-N 440.548 2.065 30 10 IEEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1348920756 TUSFQLMQXIERCW-UHFFFAOYSA-N 425.576 2.080 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358964992 LOPLUKZGLVJGEQ-GOSISDBHSA-N 434.537 2.060 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2C[C@H]2C)CC1 1359029042 MWOCTBMNCFNUAA-AEFFLSMTSA-N 426.952 2.273 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1359193707 IJJCTSYNMBXOHJ-RTWAWAEBSA-N 438.576 2.358 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1359215639 GMJMDGXWZHEUQC-HXUWFJFHSA-N 441.532 2.488 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@H]1CC 1359222821 TVGFULDYKCESKJ-OAHLLOKOSA-N 437.342 2.343 30 10 IEEE C=CCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1359290945 XFQPIYTUPGLRGV-QFIPXVFZSA-N 426.496 2.454 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1359307916 YDTRSIUNQUQJHW-MOPGFXCFSA-N 425.533 2.487 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359655127 PNCIZDBEYNGOAG-KGVIQGDOSA-N 441.488 2.250 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)N1CCOCC1 1360583459 DTKOKLHQBPGAAO-KRWDZBQOSA-N 428.562 2.003 30 10 IEEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCCC1(C)C 1448666445 DNFCLIOSJZFIAK-MRXNPFEDSA-N 427.954 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)Cn3cnc(C#N)n3)c3ccccc3O2)C1 1456875894 BPXPCNISXXDALU-AOMKIAJQSA-N 438.488 2.169 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)C(=O)OC 1467514934 CCZOYSGWCZNADA-ZWOKBUDYSA-N 432.517 2.329 30 10 IEEE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1468108707 JWCDAZRYNBNWTL-LBPRGKRZSA-N 437.333 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC[C@]1(O)CCCOC1 1469740279 IIAWYCOOZZVJOC-AUSIDOKSSA-N 429.517 2.440 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 1469872486 QCJUKAUHEMQYKQ-INIZCTEOSA-N 430.258 2.457 30 10 IEEE COCc1n[nH]c(CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1478931105 DYEXXRHHLVTRCH-BQBZGAKWSA-N 437.291 2.264 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)OC 1494974107 FQWQXQCKNRYMOW-XLIONFOSSA-N 440.548 2.173 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC1 1505350536 FHFJIEXYFIODPQ-ICFOKQHNSA-N 446.309 2.162 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1507547544 WPEUGVLFMZNEQL-INIZCTEOSA-N 432.546 2.148 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC1 1507718997 JOBJDMSJDUSFTN-INIZCTEOSA-N 440.939 2.004 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)CC1 1507846344 IRNKCJHGVMQCMD-UHFFFAOYSA-N 442.593 2.287 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1509943531 DNFLXEMTHWIQHU-MRXNPFEDSA-N 427.505 2.386 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCCOC1 1515186871 NVBRQUGSBSMMIZ-BRWVUGGUSA-N 425.526 2.438 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1516069018 QMKVWAOUEFCSLV-JKSUJKDBSA-N 428.493 2.400 30 10 IEEE CCOCc1nnc(N2CCO[C@H](Cn3nc(C)cc3C)C2)n1Cc1ccc(C#N)o1 1516629106 QCJHWJLPVWVTDC-IBGZPJMESA-N 425.493 2.046 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)c1 1517117945 USSQCPUNILVCPO-KRWDZBQOSA-N 427.254 2.267 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1CC1 1519320054 NWTDYMNZXBYANU-QGZVFWFLSA-N 442.568 2.042 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1519449917 OKDUSKPRDGVWCL-LPWQTFTOSA-N 445.495 2.337 30 10 IEEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)nn1 1529544169 PUHLCAUIDXCHKJ-INIZCTEOSA-N 425.514 2.434 30 10 IEEE COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1531658385 DVGPOTHJKNTCCU-WBVHZDCISA-N 433.892 2.135 30 10 IEEE CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(CC#N)CCC(=O)OC 1535780377 HISOIZPGXDQMRO-UHFFFAOYSA-N 449.463 2.410 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)CC)c1 1539043737 UJRHJUDTCURFQP-LJQANCHMSA-N 438.532 2.054 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1539225524 OKQALLCWYJNFRB-KRWDZBQOSA-N 436.628 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(COC)CCC1 1539266129 MHDKPVRFUWOSPH-UHFFFAOYSA-N 433.560 2.342 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCC[C@H]2C)n1 1539424435 PUPGLNBGDSNIAJ-XQFWAAQXSA-N 442.564 2.163 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)c(F)c2)CC1 1539481298 KRPMVQKZDWHCEF-QGZVFWFLSA-N 429.471 2.074 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539782876 FPXFOGGKEQPOGZ-KRWDZBQOSA-N 439.907 2.336 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CC 1540869876 ZLCOHJRRPDJCLG-MRXNPFEDSA-N 437.548 2.459 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540913737 ZVOUENKNVDUNMW-UHFFFAOYSA-N 436.607 2.120 30 10 IEEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCS(=O)(=O)N1)c1ccc2c(c1)OCCO2 1543114931 CZXAFODZQVHKJX-GOSISDBHSA-N 444.509 2.248 30 10 IEEE CCCOc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)cc1 1547278162 DITMDLORFRBLSD-REWPJTCUSA-N 441.532 2.496 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1547899868 FMAYWUOSEFDEIH-XZOQPEGZSA-N 440.548 2.290 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCc2ccco2)cc1OC 1554825403 VPPJJGJGBSYIHJ-OAHLLOKOSA-N 438.488 2.468 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCOc2ccc(Cl)cn2)c1 1555985825 AYWXXCCLPGIUIV-INIZCTEOSA-N 437.891 2.256 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2CN2CCC(O)CC2)c1 1556055108 CIRNLSIKPKTFFO-UHFFFAOYSA-N 431.489 2.332 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(C(=O)OCC)c2ccccc2)s1 1558422018 XYUVPZLLSOGCAZ-FQEVSTJZSA-N 436.555 2.350 30 10 IEEE CC(C)n1c(S)nnc1CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1564547525 QCPQSGXQUOUIFK-INIZCTEOSA-N 427.534 2.057 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCC1 1568507713 HBFVJVLWUGJEQI-MOPGFXCFSA-N 426.517 2.469 30 10 IEEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 1583526962 SBPXNVKSNPHHAP-QRWLVFNGSA-N 439.871 2.260 30 10 IEEE CC(C)[C@H](O)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1585603239 ZSKGZNVCQOVRKN-LPTQZCDUSA-N 429.542 2.378 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1587879615 XSWSHFTYWUQCNP-UHFFFAOYSA-N 440.592 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)COCC2 1588078271 DKHQETRISYPKOS-UHFFFAOYSA-N 426.480 2.119 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1588133321 DDQILBNLYXWXLP-HSZRJFAPSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1588143953 ORUYESFVFILKLY-CEXWTWQISA-N 443.548 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1588200218 HXNBWMXGAPNGTN-FQEVSTJZSA-N 426.542 2.384 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1589296372 RGGDWXLGKRCEIS-ILXRZTDVSA-N 433.347 2.151 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1593747158 RFXPVSLSJSLREE-HXUWFJFHSA-N 443.596 2.047 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1594608301 IXPAYMAZQCXHFL-GHTZIAJQSA-N 440.596 2.024 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1594819502 FUKGBYVTILZAFM-IBGZPJMESA-N 440.548 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1595497182 SKNAABFFXCXBDN-GOSISDBHSA-N 440.504 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(CC)C(=O)C1 1595773127 QZTZBSCBCGUAEY-UHFFFAOYSA-N 445.589 2.167 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CC=CCO1 1611847371 SQYUPAMYBBNGMV-DOTOQJQBSA-N 443.577 2.488 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1618679039 SQCUEDPQYDGPFU-UHFFFAOYSA-N 448.474 2.320 30 10 IEEE COc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1619346092 DTNIFNFHPZRVOX-HTXNQAPBSA-N 444.442 2.326 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1619462636 LKXWCWPGIQTOJU-VLIAUNLRSA-N 430.509 2.300 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1619590299 SSFZPDYAAOLDOC-IEBWSBKVSA-N 436.520 2.444 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccncc2)C2(CO)CCC2)CC1 1620452376 GQBNSIRPLFDNCH-UGKGYDQZSA-N 439.585 2.345 30 10 IEEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)c1ccccc1 1622280656 OGIZQKSGKPMWIE-PWRODBHTSA-N 428.510 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CCCS1(=O)=O 1624178255 IXRSGWFBVUJLMJ-AEFFLSMTSA-N 433.530 2.086 30 10 IEEE CN1CCC(N(C)CCN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1627131285 HNXQHCUPBIPVJZ-IQJRZOLZSA-N 447.624 2.258 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)Nc2ncccc2OCCCC#N)C1=O 1627663660 MTWVJYPDGXZNTQ-MRXNPFEDSA-N 445.520 2.466 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 1629205505 GADGVMHVHJLMHW-UHFFFAOYSA-N 428.533 2.076 30 10 IEEE C[C@H](CN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1nn[nH]n1 1633482302 AHMRDFPDYKPHSY-CXAGYDPISA-N 425.493 2.168 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)C2)c1 1634260008 NYCBPHPEIADIEG-UHFFFAOYSA-N 432.452 2.214 30 10 IEEE Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512290 ALIVUMZJFFTEGI-SCLBCKFNSA-N 436.331 2.109 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(COC(C)(C)C)on2)s1 1638982827 TZNRRECUZHFBNC-UHFFFAOYSA-N 427.548 2.374 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cnc(C3(C)OCCO3)s2)c(=O)c1C#N 1648749726 AMWLCJXACNXFJR-UHFFFAOYSA-N 439.291 2.159 30 10 IEEE C=CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1652012995 LFPLSLUKTZMMQO-INIZCTEOSA-N 425.503 2.026 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 1657875969 KOVLSCWGIMLIHX-KRWDZBQOSA-N 431.901 2.430 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)nn1 1661651288 UWTOBMRHKSUMGJ-UHFFFAOYSA-N 428.190 2.299 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C(COC)COC 1662171322 QYCFBZOAXHYZEQ-INIZCTEOSA-N 432.336 2.199 30 10 IEEE CN(C)c1cccc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1679214876 BRZASNLAASMGCQ-UHFFFAOYSA-N 430.516 2.441 30 10 IEEE COc1cc(CNC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)ccc1C#N 1682344339 GBJQGUOVSKIBEM-KRWDZBQOSA-N 430.505 2.089 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCc3cnc4c(Cl)cnn4c3)CC2)c(F)c1 1682619962 ZNAMPKDAYULUFA-UHFFFAOYSA-N 427.871 2.468 30 10 IEEE C=C[C@H](C)ONC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1686939129 FFMICOAGKRLZQU-GXTWGEPZSA-N 432.340 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N1CCN(CC)CC1 1690039898 WDUYGDAJLUJVBR-NRFANRHFSA-N 434.588 2.443 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CC(C)C)CC2)CC1 1690150405 GMQTZILHTWAPJX-UHFFFAOYSA-N 440.592 2.193 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690305843 JTLDKAYTFUOWJW-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1690313019 JNYRJULXCMMBQX-SFHVURJKSA-N 438.594 2.168 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690437395 BSMCOALORJCGKQ-IBGZPJMESA-N 430.597 2.304 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1690531997 FLBWXBLZVPRVJF-UHFFFAOYSA-N 445.570 2.366 30 10 IEEE Cc1ccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1693156218 DHJAFLKWCJPVMC-JXFKEZNVSA-N 433.509 2.010 30 10 IEEE Cc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1693334607 CNPRBRXTLYOYGW-BEFAXECRSA-N 434.591 2.432 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1696442645 HWKUEDZBEYWKHP-UHFFFAOYSA-N 434.548 2.180 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1697045351 NJLYXDNWGTVLRF-OALUTQOASA-N 425.489 2.012 30 10 IEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)CCOC1 1697225878 HRTIVZKCIMPFJF-OFNKIYASSA-N 441.532 2.252 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)C(C)C 1698248127 OOCUSZIIZOKNFK-SPEDKVCISA-N 432.569 2.294 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCOC[C@H]2CCOC2)cc1 1698489393 UENORKQHYNJKDT-LJQANCHMSA-N 427.505 2.009 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705511367 RQGFAFJCCOGUBV-WIYYLYMNSA-N 448.527 2.499 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705515270 YROVIQYVUULRSU-UHFFFAOYSA-N 430.578 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1705577510 ILMICEJYUSDUIV-OAQYLSRUSA-N 429.572 2.163 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705583160 RPHNKSBKKYZAEP-JTAQYXEDSA-N 449.555 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)NC(=O)OC(C)(C)C 1705595152 IGVQWYOTFVUIAK-UHFFFAOYSA-N 425.537 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705693059 BBWOMSMOPMMQKX-MLHJIOFPSA-N 430.553 2.246 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1705717828 SLBVUTOKPVUTAH-CYBMUJFWSA-N 426.493 2.359 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1705734336 LMKUNOJPDVBBFQ-QHCPKHFHSA-N 435.532 2.425 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705819415 KVFCAJDEOAMRGK-SFHVURJKSA-N 437.610 2.230 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1705916150 ZPJFBWDWOGSNOH-LJQANCHMSA-N 449.559 2.420 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2nnn(C)n2)C1 1705921515 TZDCMJDMSDYJTA-CYBMUJFWSA-N 445.325 2.061 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1Cc1ccccc1 1705934102 BEASJHMKBJDNAZ-OALUTQOASA-N 443.573 2.042 30 10 IEEE COCCN(CCC#N)c1nnc(C2CCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1712454489 HEUXVBPRBGITLU-MRXNPFEDSA-N 430.475 2.175 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722324058 ZJRJPHOSDIAKRT-IEBWSBKVSA-N 425.537 2.331 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1722368808 SXNILCNJYRTWRW-GOSISDBHSA-N 429.546 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCNC(=O)c1cccc(OC)c1 1722396543 ZAWAVSGLUCXOON-UHFFFAOYSA-N 428.496 2.242 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCS1 1722428091 BXLBMDHNZPFLGX-LJQANCHMSA-N 441.605 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1722469280 XWGLOBKZMBYJHN-DHIUTWEWSA-N 441.532 2.220 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1722493588 IXQZPDOVIQNNQP-HUUCEWRRSA-N 445.486 2.291 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1Cc1nnn(C)n1 1722656160 XNJLAKTYQPNCBS-UHFFFAOYSA-N 426.488 2.285 30 10 IEEE Cc1ccccc1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1724789963 FDXSMMNCOWWTTG-UTKZUKDTSA-N 446.577 2.406 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1730551861 DIKNEXKDHLNFTQ-CTNGQTDRSA-N 441.532 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1740531529 NVERVFBBGWZISC-SJORKVTESA-N 444.967 2.040 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1740590003 DXBNLLJMGOKMJA-IPMKNSEASA-N 449.621 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCn1cnc2ccccc21 1740644430 FYGPRVWWVPTKDI-UHFFFAOYSA-N 429.528 2.417 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(CC)(CC)OC)CC1 1740693272 WEDZOBSIUDBUMW-HSZRJFAPSA-N 433.597 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1740730594 CSABYHQJFPHIOK-XMSQKQJNSA-N 444.605 2.382 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)o1 1740751575 LYKHLRQRBYRIEH-JZXOWHBKSA-N 437.566 2.407 30 10 IEEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740797059 KDGSZNPIQTVNEB-LJQANCHMSA-N 445.589 2.423 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC(F)F)c2)CC1 1740818245 GKIMSMXBENKSOS-CYBMUJFWSA-N 442.492 2.089 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740951651 KFWXGEHVSBREAX-CYBMUJFWSA-N 437.426 2.006 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccc(OCCN(C)C)cc1 1742805726 DCRJLLBKWIPBRL-UHFFFAOYSA-N 447.543 2.305 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@H]2C)c1 1748578320 FOLFCLHGYRHHMB-JXXFODFXSA-N 427.505 2.364 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1748868857 KVFBFSPPNXYZSB-DLBZAZTESA-N 446.349 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1748890988 RLKNWXUGJFKUJY-VWLOTQADSA-N 447.539 2.436 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnccc1OC 1748965734 VMBXYOTZYBYUBH-NRFANRHFSA-N 435.484 2.329 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1749042725 CWRUQBFITJREKL-HNNXBMFYSA-N 441.442 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749655974 WAEGSZOAADMAFA-GOSISDBHSA-N 440.504 2.287 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H]21 1749656078 ZMVVAOHYIRSKGN-GOEBONIOSA-N 427.505 2.262 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OC 1749829343 YHOLHVQWJFLRQR-UHFFFAOYSA-N 438.488 2.429 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1749829879 ACFQHYAVUADEOT-LJQANCHMSA-N 436.520 2.290 30 10 IEEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cs1 1751425513 KNWLYQOELPJXID-OAHLLOKOSA-N 428.543 2.417 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1760097073 ZZVCNEWIQHMWLV-CRAIPNDOSA-N 431.924 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760122151 YIKHGQMSEVQBIP-AEFFLSMTSA-N 436.482 2.375 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1760130179 GGWVXZVXFKEDJK-QHCPKHFHSA-N 441.532 2.476 30 10 IEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1760135406 UYIKRZIVEFXICW-QGZVFWFLSA-N 447.543 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1conc1COC 1760219479 FTKVBHFCRHLEED-OAQYLSRUSA-N 433.468 2.436 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1760307199 OQGXYRHGJHJMJK-AWEZNQCLSA-N 439.358 2.075 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760518556 XBFUJJWBFAETSP-INIZCTEOSA-N 430.940 2.427 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)COC)C1 1760544691 FLNSNQVFYFSWLG-DLBZAZTESA-N 448.593 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1760554028 OYCNRMGYMDVSKO-HNNXBMFYSA-N 442.545 2.431 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1760695176 BUJFLASYIYOSMS-FUHWJXTLSA-N 436.582 2.097 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCNC(=O)OC(C)(C)C 1762572342 HYMRKVNWRMZAEI-UHFFFAOYSA-N 427.509 2.426 30 10 IEEE CCOCc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1766285791 XCLCMZWWUDTQNE-UHFFFAOYSA-N 434.500 2.351 30 10 IEEE COc1cc(C=NN=C2NC(=O)[C@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)ccc1O 1772727494 PNXBSOPWKYLXAZ-INIZCTEOSA-N 443.441 2.259 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c(Cl)c1 1851336774 VUUAHPZTCKQHBH-MRXNPFEDSA-N 436.965 2.064 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)n1 1851602861 AHJBFJUFYVEXEW-UHFFFAOYSA-N 442.405 2.219 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854037220 JLDGIXZUOYSIKH-AWEZNQCLSA-N 447.900 2.039 30 10 IEEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccnc(Cl)c2)CC1 1855857014 HDBMNRTYAXIQPC-UHFFFAOYSA-N 444.900 2.389 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)[C@@H](C)C2=O)cc1C#N 1857105708 FRNVSBVUDZPRKA-HNNXBMFYSA-N 429.473 2.209 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)N2CCCC2)cc1 1858998721 PZETYTVTEBYMCN-UHFFFAOYSA-N 441.513 2.417 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1C 1862406913 ZZIKJLQKWJBKDP-GOSISDBHSA-N 428.397 2.188 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)c(O)c1 1862503276 UOWQMRCMKAYSFR-IBGZPJMESA-N 428.416 2.260 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862627257 LEZOAADFLBMZCT-HXUWFJFHSA-N 438.436 2.138 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862629824 FRUQTYTXXMGWGU-VOJFVSQTSA-N 426.381 2.283 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(OC)c(OC)c2)cc1F 1862642462 FECIXINVCJYUHP-IBGZPJMESA-N 431.416 2.422 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 1862735378 JJFVCWRWSRQDFY-GOSISDBHSA-N 427.388 2.448 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862756805 RSZVDXMWDGUNTG-VOJFVSQTSA-N 428.397 2.268 30 10 IEEE C=CCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(OC)cc2OC)C1=O 1863419105 SDGPDXSLHPGXCT-UHFFFAOYSA-N 442.493 2.485 30 10 IEEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866026095 HAAOREUOTMHANQ-UHFFFAOYSA-N 434.343 2.026 30 10 IEEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(OC)c(OC)c(OC)c1 1869934655 OQBBDMVNKRZGIN-AWEZNQCLSA-N 433.486 2.168 30 10 IEEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2C[C@@H]2CCCO2)c(C#N)c(C)c1C 1870184970 IOUHSSCLOILLBC-KRWDZBQOSA-N 442.541 2.376 30 10 IEEE COc1ccc(CN2C(=O)CCC[C@H]2C(=O)N2CC(COc3cccnc3C#N)C2)cc1 1891240256 BKXUEOABALNIQS-NRFANRHFSA-N 434.496 2.380 30 10 IEEE C#CC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1 1891843502 XXITYISRHOZIEA-IBGZPJMESA-N 433.530 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1999432215 ZGPVYUYSRQWNMZ-ZWKOTPCHSA-N 438.569 2.439 30 10 IEEE C#CCC[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 2009949984 SRSIDCWOKAOPBO-JPYJTQIMSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060625666 MYHAZXSECAELEI-DLBZAZTESA-N 432.326 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC23CC(C#N)(CO2)C3)CCN(Cc2ccccc2)C1 2060820513 GGZXEALAEGXRBX-KXTRFFEISA-N 440.544 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)=C[C@@H]1O 2068906914 DGLMMGMZFBKTNR-IRXDYDNUSA-N 434.342 2.361 30 10 IEEE CO[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C1CN(C(=O)OC(C)(C)C)C1 2141672833 DVOHGFBOLBOPRO-QGZVFWFLSA-N 447.341 2.201 30 10 IEEE N#CC1(CS(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)CCCCC1 2174786102 GNRWSOITTREQFP-RBUKOAKNSA-N 435.546 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2223265227 ULILWIOWWLYINE-HNNXBMFYSA-N 439.362 2.230 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1CO 2224092694 IUKMQYCSYSGPAA-NVXWUHKLSA-N 433.358 2.093 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CO 2224102750 PMDBCNHDWUUXAB-DOTOQJQBSA-N 433.358 2.093 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)C1 2247565380 SFWGUPKKUNIEBK-OJLPUSQMSA-N 437.537 2.092 30 10 IEEE Cn1nc(C(=O)N2CC(OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247845038 LIZBUQNEHDVXCU-UHFFFAOYSA-N 431.729 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247902218 URHHNERRJUSDBP-OLZOCXBDSA-N 435.355 2.276 30 10 IEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CONC(=O)OC(C)(C)C 2248403890 IUXACNLIWQSLKN-LBPRGKRZSA-N 441.359 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2250290597 UMDKNRGEDXZVJN-OLZOCXBDSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255377686 QIAMGMNWHLTQIE-JKSUJKDBSA-N 431.342 2.205 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 2255542249 OWOUREAAJZTLBK-IAGOWNOFSA-N 432.326 2.390 30 10 IEEE Cc1c(C(=O)NCCCN(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255635138 WXRITLQHAOKVDT-UHFFFAOYSA-N 426.370 2.280 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2255654944 GDRPLWWQOWRUMY-UHFFFAOYSA-N 430.232 2.110 30 10 IEEE CC1(C)OB(c2cscc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255809251 UXVMHLAWXOEKLE-GOSISDBHSA-N 441.406 2.251 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255821061 DDNYMRLHDPXSAX-HUUCEWRRSA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255871672 NKQPPRTYLKJOOB-DLBZAZTESA-N 432.326 2.008 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CNc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2255995513 WGZNLNPRYBWCJB-CQSZACIVSA-N 437.302 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)[C@H](O)C(C)(C)C 2258957508 AJOLXZYARYBOIY-HOTGVXAUSA-N 438.374 2.428 30 10 IEEE C[C@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267010568 VSGBARFMHDCTSF-PKOBYXMFSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267090450 DBNPAUMDARKLGE-GOEBONIOSA-N 446.357 2.180 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267137705 OUVMFOWZUBSINA-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267139087 AZWDLQZDVKHGEH-ZIAGYGMSSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CCC[C@@H]12 2267145883 JIBAZCBYEAQOMD-IVZQSRNASA-N 446.357 2.371 30 10 IEEE CON(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267185943 CJYMPQSYJNUHRZ-OAHLLOKOSA-N 447.341 2.394 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267268087 POSPUBSYCWUFAQ-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N(CCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267882346 RFAGMTIRBGCIIK-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2269702390 GTLRLLDOBIYCKS-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE CCC(C)(C)N(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270535055 JTOQINVLPRWVIM-INIZCTEOSA-N 425.507 2.100 30 10 IEEE CC1([C@@H]2CCCCN2S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)OCCO1 2282336599 AGNGQYVHXPHMIV-HNNXBMFYSA-N 443.396 2.354 30 10 IEEE Cc1cc(CN(C)S(=O)(=O)C2CC3(C2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2295340333 VHLZHTBVIAVFJN-UHFFFAOYSA-N 443.396 2.023 30 10 IEEE C=CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 2314435744 HVRDDPBPVBRVQL-UHFFFAOYSA-N 443.598 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CC[C@@H](B4OC(C)(C)C(C)(C)O4)C3)C2)C1 2319735528 XUPRVBOUBKVNBR-MRXNPFEDSA-N 435.374 2.232 30 10 IEEE C=CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cccn1C 2326446239 JGVDVQZZCRGCRS-UHFFFAOYSA-N 426.502 2.220 30 10 IEEE COc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 2327901900 JZYQVRZURLRYAO-OAHLLOKOSA-N 447.561 2.376 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)C=Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 2328155776 QDENIOWDCBDRTK-GQWLDOHISA-N 449.482 2.187 30 10 IEEE COc1cc(C=Nn2c(CCCOc3ccccc3)nnc2SCC(N)=O)ccc1O 2328726878 WMANRCQLCYDSQQ-UHFFFAOYSA-N 441.513 2.464 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263093 IUTFQBRQLMVUPV-OFQRWUPVSA-N 446.357 2.227 30 10 IEEE COc1nc(N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339786098 GXSZJPYSDNDJSC-JSGCOSHPSA-N 443.275 2.425 30 10 IEEE CC(C)(C#CC1(OCCC(=O)O)CC(NC(=O)OCc2ccccc2)C1)S(C)(=O)=O 2365249159 WCIMXEHVKAMTCD-UHFFFAOYSA-N 437.514 2.132 30 10 IEEE COc1ccc(-c2nnc3ccc(OCCNC(=O)COc4ccc(C#N)cc4)nn23)cc1 13706122 LPMUNOWXZZBMEL-UHFFFAOYSA-N 444.451 2.246 30 10 IEEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 45605463 KIZLZPNUUPMNIY-UHFFFAOYSA-N 431.489 2.172 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)N3CCC[C@H](C)C3)n[nH]2)c([N+](=O)[O-])cc1O 59820596 GIIHYHCODBWGDS-NPLBWUPPSA-N 449.493 2.224 30 10 IEEE Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccncc4)n(C[C@H]4CCCO4)c3nc12 252666806 CIMGORAANATHHE-GOSISDBHSA-N 440.463 2.144 30 10 IEEE COC(=O)CC1(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCS(=O)(=O)CC1 439320265 JAVSVTFNZUVGFK-UHFFFAOYSA-N 433.408 2.209 30 10 IEEE N#Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 461141901 AJCATMBXQWVVPU-UHFFFAOYSA-N 425.466 2.439 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)N[C@H](C)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506892010 GCAONVZXWYRESO-WIYYLYMNSA-N 449.559 2.184 30 10 IEEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 507554549 XJEJBCLVUUFTAZ-UHFFFAOYSA-N 432.483 2.334 30 10 IEEE COc1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C)cc(OC)c1OC 508186337 XBESIVCKDUHDLE-UHFFFAOYSA-N 435.488 2.101 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 509207608 BPYNNDPSCGFYAE-DOTOQJQBSA-N 430.534 2.320 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@H]1CCCO1 522386084 CVMKNZDVEGZGME-MRXNPFEDSA-N 431.583 2.362 30 10 IEEE CCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543658259 XSGWEMRGXOACFD-UHFFFAOYSA-N 442.541 2.202 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 551486213 GOGFFPOOCDZVJN-MSOLQXFVSA-N 441.534 2.359 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 553119869 WSPYVWXZXTZROP-UHFFFAOYSA-N 438.525 2.407 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 580663190 VEDXPSZQEOCWRG-SFHVURJKSA-N 449.621 2.422 30 10 IEEE CN1CCO[C@H]([C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 586863837 BONATPVYZWJRTQ-PMACEKPBSA-N 444.894 2.155 30 10 IEEE CN1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 603987419 OWYNPRBUOXFHDA-UHFFFAOYSA-N 432.933 2.329 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H](OC(F)F)C2)CC1 611579471 KDIZKLOYTOBIRN-AWEZNQCLSA-N 435.431 2.158 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)c2)c1=O 654765600 OQVKSAUJJYELBQ-UHFFFAOYSA-N 432.501 2.499 30 10 IEEE C#C[C@H](C)NC(=O)c1cc(I)cc(I)c1O 700590117 VFSFVQNTDIEBBE-LURJTMIESA-N 441.006 2.353 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(Cc2cccc3ccccc23)CC1 732464979 BAGMBYVZKZDNBR-GHVJWSGMSA-N 433.512 2.193 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)CCN1C1CC1 732705741 GBDILHKXZZYJDH-JOCHJYFZSA-N 429.524 2.387 30 10 IEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1=O 734292514 RPGUPWBSPLXQSW-CQSZACIVSA-N 447.900 2.387 30 10 IEEE CO[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)NCC#CC(=O)O 757472693 ZPKMMQZZLLUTGW-MRXNPFEDSA-N 436.464 2.134 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@H](O)c1ccc(F)cc1)C1CC1 771645613 ULNUDBOXYYTFAW-IBGZPJMESA-N 445.516 2.369 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)ccc2c1=O 775919971 RLHOTTIZFOTXBK-UHFFFAOYSA-N 437.525 2.033 30 10 IEEE CCOC(=O)C1=C(COC(=O)[C@H](O)c2ccc(C#N)cc2)NC(=O)N[C@H]1c1ccccc1 780203419 AFNOLMLCVJSHAS-VQTJNVASSA-N 435.436 2.006 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(CCCOc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 780564929 GJJKTXMHPVINBY-JOCHJYFZSA-N 436.560 2.182 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1 783452634 GXNVGZLPTIDVHW-QZTJIDSGSA-N 448.523 2.317 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1C 786684097 VNNUIYMTXCLQEA-GOSISDBHSA-N 449.598 2.338 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 789148428 XTPGESUCDFOVTR-LJQANCHMSA-N 447.898 2.272 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1nc(Cl)cs1 789419972 XMAOLZLCQXBENC-UHFFFAOYSA-N 432.845 2.333 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 793003889 GTPJGVSWOSHBCZ-PVEMMZBWSA-N 446.813 2.218 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Nc2cc(-c3nccn3C)[nH]n2)c1 801617635 OPVXUHBSEZWQLV-KOEQRZSOSA-N 442.505 2.267 30 10 IEEE CN(C)C(=O)[C@H]1CC[C@H](Cn2c(-c3cnn(C)n3)csc2=Nc2ccccc2C#N)O1 803180367 HJZDMGMGDIAJDJ-DNVCBOLYSA-N 437.529 2.085 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 808319545 ZQNSMTKGSJLSNY-UHFFFAOYSA-N 443.406 2.289 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC2)n1 812410152 JADYKCRCTOTRSA-LJQANCHMSA-N 435.532 2.168 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1)C1CC1 814703156 ITGPRWMZWIIVRK-ZWKOTPCHSA-N 436.553 2.250 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)n1 856590253 YJFKNHQXFFOGKL-KRWDZBQOSA-N 444.435 2.281 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccncc3)n2)cc1OC 1084070877 RLNHXGKRHCWHMJ-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cn1 1084103111 INWLABOBKKIHPS-UHFFFAOYSA-N 427.494 2.156 30 10 IEEE COC(=O)c1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1129486004 FJLXWUGRCJZTSE-CQSZACIVSA-N 445.472 2.352 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 1136630115 HPRODABFGQPOCU-GOSISDBHSA-N 434.905 2.348 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1139658650 SQSIEASXGIIUEA-CABCVRRESA-N 435.974 2.049 30 10 IEEE C#CCN(C(=O)c1cc(S(N)(=O)=O)oc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1155367073 MBTFWFJDUMLUIR-UHFFFAOYSA-N 445.925 2.055 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2c(s1)COCC2 1156396343 TVYRDERKRNMWIM-UHFFFAOYSA-N 448.570 2.131 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC3(CCNC(=O)O3)CC2)C1 1157707755 JBWLYLGDVQZAFP-UHFFFAOYSA-N 433.306 2.248 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(Br)cc1 1159627525 OBJNSXUAMNYETN-GOSISDBHSA-N 449.326 2.421 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2c(O)cccc2C1 1170356501 BGSADVCYSMVTSC-GOSISDBHSA-N 427.526 2.430 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(Cl)nc2C(F)(F)F)c1=O 1189868950 KFCLGOKRFNPFPE-UHFFFAOYSA-N 444.797 2.339 30 10 IEEE C#CC1CCN(S(=O)(=O)c2cc(C)c(I)c(C(=O)OC)c2)CC1 1212286351 LDJTXSHBPMNFJT-UHFFFAOYSA-N 447.294 2.420 30 10 IEEE CC(C)OCCOC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1248376203 TWBKVBRFNJPSFU-OAQYLSRUSA-N 428.533 2.275 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1286389162 GRMIKOJTONJRGM-FXAWDEMLSA-N 434.587 2.142 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286395730 UIJZLOPWGGJXTK-IBGZPJMESA-N 448.564 2.307 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1286448519 WZUNMDMBBUOZEQ-ZWKOTPCHSA-N 433.553 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1286495317 YLZAGKNFSWLXPU-NHCUHLMSSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CC(N)=O)C1 1286505601 GIBVYXWOOKWQJT-KRWDZBQOSA-N 427.574 2.336 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286606324 MMHLNPGBDGTING-BEFAXECRSA-N 445.486 2.352 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(O)c2)CC1 1286705673 CGDUDSAVWPTSEO-UHFFFAOYSA-N 440.548 2.139 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)OC(C)(C)C)C1 1286802925 BAXQEJKEEJMVRA-KRWDZBQOSA-N 431.541 2.375 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)OC(C)(C)C)C1 1286811825 GGHAFNGLTMRXMA-QGZVFWFLSA-N 448.568 2.097 30 10 IEEE CC(=O)N1CCC(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1286857274 UQBVRJLVJKNLJI-QHCPKHFHSA-N 444.580 2.317 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1ccco1)N1CCCC1 1288099487 CQQDCBUYVQPUHX-KKSFZXQISA-N 429.500 2.288 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1294414811 DMTACEHFVCAKEP-LJQANCHMSA-N 438.532 2.356 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCC[C@@H]3CS(C)(=O)=O)C2)C1 1298178558 OJOOBFGBLKMLEO-JWRWLIQVSA-N 439.578 2.199 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N(C)C 1300294250 YOQOTXNKGFTZNP-CYBMUJFWSA-N 440.367 2.057 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300321318 KKOKHCJVDILOBM-LINNUKDLSA-N 448.527 2.458 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cc(F)ccc1N1CCOCC1 1300675677 GAAGXCSRTMCZIZ-OAQYLSRUSA-N 443.523 2.240 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nc(C)c(C)s2)CC1 1300685682 SAODYBZFFMFGHB-QFIPXVFZSA-N 444.605 2.001 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1300697800 KBLGVYMUHLCRTC-CTNGQTDRSA-N 449.603 2.114 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1300766250 XXCARFUZTBMVHA-UHFFFAOYSA-N 430.553 2.107 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 1300852775 CTXVQCYLGXHGLD-IBGZPJMESA-N 444.337 2.127 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1300980405 PEDUIAKARMKKEM-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1301222193 TVEUVDUZSQSUJW-GOSISDBHSA-N 425.537 2.418 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1302270012 DLPZQXOJMMEJPL-QIJZPMMNSA-N 446.596 2.241 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ccnc(-n4cncn4)c3)CC2)c1 1313143644 LINXJNQSWCSYJV-UHFFFAOYSA-N 430.472 2.094 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1314988425 LLAKENMXMHPIOA-FQEVSTJZSA-N 449.559 2.086 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1 1315112149 PRDJXCIDAUHSRH-AWEZNQCLSA-N 443.508 2.080 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1358916211 DHVXRNREHMPEFF-DLBZAZTESA-N 440.573 2.130 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNc1ccccn1 1358948495 DHCQKEFYOBCNEI-UHFFFAOYSA-N 431.548 2.419 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnc(C)s1 1358950063 VZUGTYDRQBPXLS-INIZCTEOSA-N 432.550 2.469 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358955334 KBCRHBDPXLNZGQ-OALUTQOASA-N 435.638 2.323 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccc(F)cc1 1358970057 DKBRRBAVJBESCD-DHIUTWEWSA-N 426.492 2.050 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359228772 NUYHKRRELAAZBA-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(=O)OC)CC2)cc1 1359307745 UFIUUMNHPSIVIH-LJQANCHMSA-N 439.516 2.232 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1359321041 ZCSYLKGMRWBZNK-UXHICEINSA-N 433.597 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359332102 PFOUBXKLXUHPBG-UHFFFAOYSA-N 443.573 2.109 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359472671 OILBCVSPEGHWAS-SJORKVTESA-N 443.552 2.370 30 10 IEEE Cc1ccsc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360953328 KTQCXIKZLSELQY-UHFFFAOYSA-N 437.529 2.370 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1438407990 DCBRLXQJLMSQDF-ZRCGQRJVSA-N 426.517 2.001 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC2)nc1 1443090429 PQLXDIZISFACCW-UHFFFAOYSA-N 433.299 2.170 30 10 IEEE C=CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C(=O)OCC 1449695306 LYYUWSWTHGFIEF-IRXDYDNUSA-N 431.489 2.468 30 10 IEEE N#Cc1cc(F)cc(Cl)c1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1459175229 ZRLUWKSTDOGSKD-UHFFFAOYSA-N 437.880 2.263 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 1464274434 VFOZTJKYKBNDNB-LNUHTHKGSA-N 426.498 2.313 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1475468076 GEFGUCSGTLOUMD-IAGOWNOFSA-N 428.562 2.293 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1503793358 UOBMUQFODSOUMT-WMZHIEFXSA-N 438.532 2.117 30 10 IEEE COCCOCc1ccc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc1 1505036545 CQXLVNWPQJAHDA-UHFFFAOYSA-N 447.543 2.391 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCOc1ccc2c(c1)OCO2 1505059398 OLUSMOFWNCYDPG-GUXCAODWSA-N 443.504 2.406 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1505313996 OMDUHFAGOJQKHP-WBVHZDCISA-N 430.459 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N1CCOCC1 1507520950 IOHYQYRXTYYCGO-HOTGVXAUSA-N 427.574 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1507740464 UFEJPRPLIKMTGC-RTWAWAEBSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C)CC1 1507754890 PUAFALDTBCUCJF-GOSISDBHSA-N 427.578 2.311 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CC1 1507763694 AJOIOFZQDGPNJT-LJQANCHMSA-N 429.502 2.423 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1C 1507764046 IWMULDAWJJPYKB-JOCHJYFZSA-N 437.504 2.140 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1507843627 PFQSNONAPFPBCP-PMACEKPBSA-N 447.580 2.376 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507848167 HEWSFVYZBPIZQE-RCCFBDPRSA-N 433.553 2.430 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507855523 WTWCXGSNGWOKMC-WMZOPIPTSA-N 439.004 2.496 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1507894869 ORRJEVOKKXOGOD-UHFFFAOYSA-N 430.940 2.400 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 1507918914 JZVAWHFDWAEOPB-UHFFFAOYSA-N 442.612 2.000 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507959461 CLMXZONGYLOYRL-UHFFFAOYSA-N 440.548 2.008 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1508018894 IPRTYIHAXBBSQP-IBGZPJMESA-N 444.557 2.452 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508042444 KRRGPYMUCLWQER-AWEZNQCLSA-N 432.912 2.324 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](OC)[C@H](OC)C1 1508073615 OMKKBJCNRRBWSS-BHYGNILZSA-N 445.589 2.284 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1508092498 ZHQWGLAGDPNLTN-GJZGRUSLSA-N 431.459 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccccc1 1508143413 YIQCXKCKHCOPQM-ZWKOTPCHSA-N 429.546 2.172 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1510105010 DIJGMFGCMPTCMD-DOTOQJQBSA-N 448.930 2.435 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)[C@@H]1C 1512584257 AFCIZKCCWCLZMK-CVEARBPZSA-N 438.561 2.321 30 10 IEEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1517031008 YLIXSAYBNQDCJB-LJQANCHMSA-N 444.561 2.062 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1518060402 ZTJFMGPKVUZWBF-XUTLUUPISA-N 438.488 2.089 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCOc3ccccc3)n2CCCCN2CCOCC2)C1 1521069345 IYAYQYBMNDEHGR-QHCPKHFHSA-N 442.539 2.454 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1539013552 NHMWBTJJPDKNNA-KRWDZBQOSA-N 444.543 2.057 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCNS(C)(=O)=O 1539245292 DIHRJLFVWQMFSB-INIZCTEOSA-N 445.614 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1539467226 PKQMRZPAEBUMTE-WMZHIEFXSA-N 429.565 2.096 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1539526124 JMRTWLXPEDOBIC-LJQANCHMSA-N 443.621 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)[C@H](C)C1 1539636951 NHNGHCMFLRZFMQ-NWSQWKLXSA-N 440.592 2.402 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1540134560 UWFDWPQYDMFMJD-OAHLLOKOSA-N 437.541 2.135 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(CC)n2)C1 1540892947 UOJPKMIPOMWNGX-GOEBONIOSA-N 437.591 2.029 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1541984919 FZCBZLVQWRHOJD-BBWFWOEESA-N 431.468 2.091 30 10 IEEE N#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 1542889202 RLWYBDGGGQMMQL-IBGZPJMESA-N 433.917 2.480 30 10 IEEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 1544079155 PRLLQPYDOYAQDW-UHFFFAOYSA-N 431.602 2.180 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2CCCO)C1 1555985789 ADXFYIYWMLTUDB-OFNKIYASSA-N 426.540 2.352 30 10 IEEE N#CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1555990719 RKXDPQUNRYLLAS-HXUWFJFHSA-N 447.518 2.487 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](Nc4ncccn4)C3)C2)C1 1557184727 LGWHFMQKRPIMDF-JBLFJGJOSA-N 426.521 2.276 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CS1(=O)=O 1557386665 BXKJCOGLYQLALT-DZGCQCFKSA-N 432.502 2.105 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)CC1 1559892466 ONLNOBAPUFCXKL-NRFANRHFSA-N 426.561 2.058 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 1563490606 MXFCNUATDSNKEQ-MRXNPFEDSA-N 429.517 2.392 30 10 IEEE C#C[C@H](NC(=O)N(C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C)C1CCOCC1 1565106345 RQADIQBDZSESFD-UNMCSNQZSA-N 431.533 2.233 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1565437411 FLGFHRZKDADRJM-NEWSRXKRSA-N 426.521 2.325 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(c2ncc[nH]2)CC1 1568378951 QLYCPYKRRMFZBK-IBGZPJMESA-N 436.516 2.464 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)s1 1584135114 UFQTVDOXDDTXCQ-UHFFFAOYSA-N 447.582 2.306 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1587969919 KJDDWWDKQUTUEK-SJLPKXTDSA-N 428.562 2.289 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1588045022 FOASAYWFPNMTKS-QGZVFWFLSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1588049835 LTIBWGXVINCIKR-HXUWFJFHSA-N 448.552 2.248 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CS(C)(=O)=O)c1 1588459087 LPETUURQNWSVDV-PMACEKPBSA-N 446.573 2.055 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1589089822 YSPMHOJKPLKILN-UHFFFAOYSA-N 431.525 2.165 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC(C)C 1589544389 GPOSAPISPDGYJO-QYZOEREBSA-N 440.610 2.270 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1594703442 KIWDNASBVMFNIS-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CCC 1595530289 ZQHSDCTZJNZZHP-HNNXBMFYSA-N 433.582 2.165 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595543991 DLUMQWLAHWKMSX-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1595805487 PQMZZGDYPZAUMT-UHFFFAOYSA-N 445.589 2.182 30 10 IEEE COc1cccc(/C=C(/C(=O)N2CCN(c3ccc(C#N)cc3)CC2)n2nnnc2C)c1 1596589795 NRLXETHGLASUSS-JCMHNJIXSA-N 429.484 2.209 30 10 IEEE C[C@H]1CN(c2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cn2)C[C@@H](C)O1 1611648654 DQALAVDUYGQUHD-IYBDPMFKSA-N 438.484 2.213 30 10 IEEE Cc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1612575149 RPFKWIXCNBWPJZ-XBVYNRJRSA-N 425.320 2.133 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1613122759 DTGAQIADQMXVJG-GAJHUEQPSA-N 440.548 2.194 30 10 IEEE C=CC[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccncc1 1617750033 OHYLTSDRTZBQQX-YDZRNGNQSA-N 449.573 2.485 30 10 IEEE C[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C[C@@H]1NC(=O)C(F)(F)F 1623740059 GHXZXCGSVRZGNC-JMSVASOKSA-N 446.451 2.293 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 1628969963 MGAHCLBICPSDCO-QGZVFWFLSA-N 437.525 2.128 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1629769839 IZSASRGPDMDHRY-GOSISDBHSA-N 432.542 2.337 30 10 IEEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)NCc1ccco1 1631816360 YCWBJPFVYDYGFH-GFCCVEGCSA-N 431.290 2.171 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 1633751053 YNIMIIRPLLHEFJ-BFYDXBDKSA-N 449.573 2.376 30 10 IEEE CCOC(=O)c1cc(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)on1 1637838596 TXWJFJDBKOLBOO-UHFFFAOYSA-N 425.445 2.283 30 10 IEEE C#CCO[C@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1641123209 FQWQXQYIJPZFBW-QZTJIDSGSA-N 445.564 2.211 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3cnccc3C#N)CC2)s1 1641699015 RTADPPAMROEUSI-UHFFFAOYSA-N 428.518 2.397 30 10 IEEE C[C@@H](CN(C)CCCN(C)C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1645255727 BZYYNAUYDRTOQT-KRWDZBQOSA-N 442.564 2.411 30 10 IEEE C#C[C@@H](NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@@H]1CCCO1 1645352015 PJSRRYPTVIMWBY-MJGOQNOKSA-N 439.965 2.224 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3ncc(Br)cn3)ccc2c1=O 1646419148 CHQGMIMJWPYFHB-UHFFFAOYSA-N 432.303 2.354 30 10 IEEE N#Cc1cnn2c(O)cc(CN(CC(N)=O)Cc3ccc(OCc4ccccc4)cc3)nc12 1653602082 DOKSUMCZZXJDKZ-UHFFFAOYSA-N 442.479 2.373 30 10 IEEE C#CC[C@H](NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1)C(=O)OC 1655602622 FWNJXLLQGMHPES-RJGXRXQPSA-N 440.565 2.447 30 10 IEEE N#Cc1cc(S(=O)(=O)NCC(=O)N2CCc3ccccc3C2)ccc1Br 1661289147 FYFUGLFFDGZYOL-UHFFFAOYSA-N 434.315 2.184 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)n1 1671562555 UHACKMIQBYDFRV-UHFFFAOYSA-N 431.500 2.147 30 10 IEEE C=C(C)COCCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1680167217 OFBWJDDNGMTGND-MRXNPFEDSA-N 425.526 2.211 30 10 IEEE C#C[C@@H](NC(=O)NCC1(N2CCOCC2)CCOCC1)c1ccc(Br)cc1 1683210310 LOCXZJBHEMGBJQ-GOSISDBHSA-N 436.350 2.304 30 10 IEEE C#CCC1(O)CCN(C(=O)NC[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)CC1 1683593594 DYNZVHYGSBAZFY-MRXNPFEDSA-N 425.451 2.170 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1689834964 COKNJBBALLUBHK-WMZOPIPTSA-N 432.546 2.002 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1689888377 HRBBPEZYBAXUCX-SFHVURJKSA-N 437.610 2.274 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)CCS(C)(=O)=O 1689915058 ONFUOYUDLWTODE-UHFFFAOYSA-N 442.383 2.330 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1689924823 VBLQZNJNTYAAJC-QGZVFWFLSA-N 437.552 2.482 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCCn1cc(Br)cn1 1690056429 RPGKWVCHCQUQSN-UHFFFAOYSA-N 448.369 2.413 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC(C)(C)C)CC1 1690133291 ALLNIBKJDUUMDH-UHFFFAOYSA-N 442.539 2.056 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690358471 BHJJKXDHUXWUEA-NRFANRHFSA-N 439.988 2.231 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1690442146 NKIYNQFOLYBUAX-AABGKKOBSA-N 436.560 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)NCCCC)CC2)nnc1C(C)(C)C 1690731510 KGVHJKKMXOPXTG-UHFFFAOYSA-N 439.626 2.309 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1690746644 FTMREQQPEVKGSY-KRWDZBQOSA-N 443.639 2.157 30 10 IEEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCSCCCO)CCO2 1693883886 MHNYQQHDYMEQPP-VGOFRKELSA-N 443.573 2.317 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1696496697 JCPBBGOBRIWEFO-MRXNPFEDSA-N 443.577 2.362 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1697096252 GYMDNAWVSYUKEZ-QFIPXVFZSA-N 440.504 2.185 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1705504752 CGLFAWJNVQFMFA-OKZBNKHCSA-N 447.580 2.438 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(Cl)cc1 1705627724 OGRUXNMTZSCTFF-MAUKXSAKSA-N 431.924 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1COCCO1 1705669243 HBISWOURZTWZMH-DNVCBOLYSA-N 434.338 2.454 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705735956 YRKKLWDPTQDZTB-VQTJNVASSA-N 433.597 2.454 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705772060 LXBGHRROQGZAAN-IXDOHACOSA-N 430.553 2.341 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)nnc1C(C)(C)C 1705908397 BCGKOUJUKUMFMN-MRXNPFEDSA-N 444.584 2.267 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(N)=O)CC1 1705910572 GKRADNLGCJMHCC-UHFFFAOYSA-N 440.548 2.121 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC)C1 1705925051 JYNLYHINLCCZTE-APWZRJJASA-N 448.545 2.007 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1705940009 SJSNOPAMMJPUKE-MRXNPFEDSA-N 443.639 2.205 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(C(N)=O)c1 1706302275 RPRDUFLJKCYZGW-UHFFFAOYSA-N 431.500 2.278 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1coc2ccccc12 1706870600 FPVVHPSWWZLYRO-ORAYPTAESA-N 432.481 2.125 30 10 IEEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1708241704 BMFXXWNHVOSGSM-KDURUIRLSA-N 443.596 2.143 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1710732401 FLJRGXGNNXUMNL-PZJWPPBQSA-N 440.548 2.064 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1712459694 RAFTZUGJJKRRAS-OFNKIYASSA-N 440.548 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCS1(=O)=O 1722282148 XFXCROFNWJTYQZ-KRWDZBQOSA-N 438.557 2.295 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722362435 NOGCTWAUQPTIBY-FQEVSTJZSA-N 427.574 2.058 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(C)(C)O)cc2)CC1 1722431339 NWCRHULTIZJKDK-LJQANCHMSA-N 441.576 2.033 30 10 IEEE C#CCSCCn1c(N2CCC(Cn3cccn3)CC2)nnc1[C@]1(OCC)CCOC1 1722464271 ZWFMDVICMZCJBV-QFIPXVFZSA-N 444.605 2.410 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1722477471 GUDDZYSEUNPBDH-ZDUSSCGKSA-N 446.357 2.465 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722598328 DDXJCNXLRIDMGD-UHFFFAOYSA-N 428.516 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CCC 1722697501 MMURGYOBFDFOCX-MRXNPFEDSA-N 437.548 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)C)CC1 1722732414 YVDLOXPJOCDZTL-UHFFFAOYSA-N 447.605 2.297 30 10 IEEE CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1728066626 CXXVYDKHZYFRJQ-JOCHJYFZSA-N 425.537 2.324 30 10 IEEE CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729140661 VEBLHKDKUABAJP-ZCNNSNEGSA-N 443.573 2.350 30 10 IEEE COCCOC1(Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CCOCC1 1730879953 BLPKEHZWUAYDGX-UHFFFAOYSA-N 441.536 2.077 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1740622624 FFNCCUMMDVHHTR-IAGOWNOFSA-N 441.557 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCC(C(F)(F)F)CC1 1740629879 CHJAXRFPKDVMSV-QQFBHYJXSA-N 445.511 2.330 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OC)c(OC)c1 1740653742 WYZFBBQAQDBPIT-KRWDZBQOSA-N 441.919 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1(C)CN(C2CC2)C1=O 1740659185 KWRGTLHBCQNRDC-VWLOTQADSA-N 447.539 2.340 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740730638 DVNRLBYCEZLMAS-SQGPQFPESA-N 441.498 2.427 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F)C1CC1 1740906890 SMLWUBSJTALERG-GOSISDBHSA-N 431.459 2.152 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCC[C@H](COC)C1 1740992130 BDZLAHSAWUIKSY-IBGZPJMESA-N 433.578 2.118 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1741196315 NJDAFWMDMRKNHP-IBGZPJMESA-N 427.597 2.350 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1748718636 RMEFFFIIVGJHJE-HTAPYJJXSA-N 446.548 2.221 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1748801657 DGOYZXVJVLMCRJ-LJQANCHMSA-N 433.622 2.077 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1748831119 HICCVRLQYJWNOI-PZJWPPBQSA-N 438.553 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(CC)C2CC2)CC1 1749010871 RKQFKEYFVGFHPL-UHFFFAOYSA-N 445.571 2.267 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749026065 CDCNPQADFWZDGE-MRXNPFEDSA-N 438.561 2.291 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1749488078 IKYWYSMYJBENKQ-GJZGRUSLSA-N 431.628 2.011 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1749574274 PYGRWBRUXDRNSP-HNNXBMFYSA-N 433.534 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC1CCOCC1 1749660933 WMAFODJIVPWUGP-UHFFFAOYSA-N 427.505 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749738664 UIRJHKYNPQLIPE-QZTJIDSGSA-N 448.589 2.286 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cc(F)cc(F)c1 1750155249 YEKDIZUSIAFOAX-SNRMKQJTSA-N 433.459 2.252 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1CC1 1751202410 BROJURRDCTVARN-OAHLLOKOSA-N 426.546 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1760095578 SIORLQMTLUTUBW-CQSZACIVSA-N 434.342 2.021 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1760099259 ZUJKNEQPZCPPSB-HOTGVXAUSA-N 442.545 2.358 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760115111 ZBHRSTAPMZMZMS-NBOOPKSLSA-N 430.553 2.361 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)COCC 1760173823 XURRNXPZFHXNPS-UHFFFAOYSA-N 433.578 2.328 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760183958 FNMNJHVNOGDNGU-IAGOWNOFSA-N 447.630 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1760219333 BIQLREYUJQHQSY-MOPGFXCFSA-N 438.553 2.209 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1c(F)cccc1N1CCCC1 1760242722 MKZINMUUXJGUTL-UHFFFAOYSA-N 442.539 2.290 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccccc2)CC1 1760269203 BJFHSXHMGYMOTA-UYAOXDASSA-N 437.544 2.215 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760450965 WOEFJOMXBRWCDP-GCJKJVERSA-N 430.553 2.250 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1760528181 UTKQNDTZCPAVHJ-CQSZACIVSA-N 448.980 2.193 30 10 IEEE CC(=O)Nc1ccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)cn1 1760630283 CWZGSQAGBDXRDU-AOMKIAJQSA-N 441.536 2.459 30 10 IEEE C[C@@H]1CCCN1CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1762935537 AHOIMQLZSHVLMB-IAGOWNOFSA-N 434.548 2.415 30 10 IEEE CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1763336234 MCMXOYUBNAIMCA-CQSZACIVSA-N 444.561 2.151 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1763422638 FIHPMKFMQQAQNT-YGKZAACZSA-N 440.548 2.193 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1765353278 QSUMFEHIFHFSBM-LJQANCHMSA-N 447.547 2.217 30 10 IEEE CN(C)C(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1766846405 KXKLODYBSNNIBI-QGZVFWFLSA-N 428.562 2.308 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNc1nccc(C(F)(F)F)n1 1767841350 GUHBTOHBMDZYCW-INIZCTEOSA-N 428.394 2.177 30 10 IEEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1)C(F)(F)F 1768066051 GBIQJYQGWLBDHA-KSSFIOAISA-N 428.459 2.498 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1)OC 1770761491 HLZFTJZTQKVGDV-QGZVFWFLSA-N 438.454 2.162 30 10 IEEE N#Cc1cc(C(=O)O[C@@H](COc2ccccc2)CN2CCN(c3ncccn3)CC2)ccn1 1852250388 HKXAORNPIILZPY-JOCHJYFZSA-N 444.495 2.170 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)c1 1853778149 DFOGADNLTDCCDA-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE N#Cc1ccc(CC(=O)N2CCCC[C@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)cc1 1854889828 CZNIKVHIWWHOBH-FQEVSTJZSA-N 425.920 2.490 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CCN(C(=O)C4CC4)CC3)C2=O)c1 1855847888 VAENUWMAZGUVRO-LJQANCHMSA-N 428.920 2.091 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)CCC#N)[C@@H](C)C2=O)cc1 1856292414 HRFXECPQNMNSBO-IRXDYDNUSA-N 434.562 2.082 30 10 IEEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCO[C@@H](C(F)(F)F)C3)ccc21 1857347661 UHFQIHRJOMGWNM-OAHLLOKOSA-N 432.420 2.020 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689129 SHDPTNSPRRNOOQ-KRWDZBQOSA-N 426.521 2.246 30 10 IEEE CCCOC(=O)c1cccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)c1 1873920376 JXKNQHMHGMJZMH-UHFFFAOYSA-N 428.514 2.437 30 10 IEEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1889639958 QSMWMVRMGNSMDA-HNNXBMFYSA-N 429.995 2.160 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1890812611 PGEOKHYMUSQTIQ-NRFANRHFSA-N 443.544 2.474 30 10 IEEE N#Cc1nccnc1OCC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 1892090160 HTQOMBIWIRXLOR-UHFFFAOYSA-N 437.865 2.390 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2060726472 SXIZKGKMHJRUMK-CTNGQTDRSA-N 441.576 2.164 30 10 IEEE Cc1c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc(C#CCN)c1Cl 2202934201 JBDFDOADSJOPBD-UHFFFAOYSA-N 445.928 2.387 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229100536 BVLYPZOFPQYPOJ-CVEARBPZSA-N 425.323 2.385 30 10 IEEE Cn1ncc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)c1I 2246843815 AEWMNJQMTRGXMV-UHFFFAOYSA-N 426.067 2.463 30 10 IEEE Cn1ncc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1I 2246847332 NDWJRFBRAXFRGJ-UHFFFAOYSA-N 426.067 2.463 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)s2)OC1(C)C 2247927330 HEFKYEFINSWAPA-KRWDZBQOSA-N 432.273 2.330 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2250289813 PXBZNKAJVJIORS-GXTWGEPZSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255666774 YTTXMAPBJRRWQG-ZIAGYGMSSA-N 434.346 2.132 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2255675977 JSPCLRHBIUMWRF-OAHLLOKOSA-N 435.330 2.088 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@H](C)CCO)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829586 RKDLHDKTPSEPRQ-MRXNPFEDSA-N 427.354 2.441 30 10 IEEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874454 VJOPULLYCGZFFS-GDBMZVCRSA-N 433.358 2.452 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256612163 CHIUVNGJDKSIBL-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256922264 DYCVDHPMPWLTON-MRXNPFEDSA-N 429.278 2.369 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2259927561 ZBZSOMMRWNWAIR-YEJXKQKISA-N 449.382 2.429 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2266992006 NTYBCHNTYYTHFR-FZMZJTMJSA-N 444.259 2.416 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267146289 JWQHTZYGKFVXSX-GJZGRUSLSA-N 448.373 2.378 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267147832 ULBMENIMMNKUOD-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267178542 DJYQNWKSFAECIG-OLZOCXBDSA-N 444.259 2.498 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267476994 GISGCRGGQGVPQB-SWLSCSKDSA-N 441.259 2.052 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC3(CN)CCN(Cc4ccccc4)CC3)co2)OC1(C)C 2267493956 AXUZCJOTRDNJGZ-UHFFFAOYSA-N 439.365 2.302 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267495389 ZVYYCNSNSJJNRJ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2267496421 AYXPZLPAJWYCEZ-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267542655 VEZPQDCUBYWYJO-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267875669 IFGPQHNLCFLDGU-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267883772 ITAZEZVFAVSDER-CABCVRRESA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2268369151 LJJFOIWZPXTQKV-HJWRWDBZSA-N 448.325 2.208 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2268717137 JDJACACTMZNJEY-QGZVFWFLSA-N 448.369 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2269761644 LUGBTRVNAJELAQ-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2271688068 FRUIJDFPUOSRLL-UHFFFAOYSA-N 446.353 2.040 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2cnc(N(C)C)nc2)cc1 2321744058 KKULGVBAGDIWTP-UHFFFAOYSA-N 426.506 2.064 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)C=Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 2328155779 QDENIOWDCBDRTK-NQERJWCQSA-N 449.482 2.187 30 10 IEEE COCc1nnc(SCC(N)=O)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331569142 CKMOULRFKAFCDH-UHFFFAOYSA-N 441.513 2.472 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472645 NLMIRAMAIUGPSL-LPHOPBHVSA-N 443.463 2.419 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCC)CCC(=O)O)C2=O)cc1 96573485 UQPJYFFOUJDCCT-QFIPXVFZSA-N 431.489 2.122 30 10 IEEE COc1ccc(C(=O)/C=C2/Nc3ccc(C(=O)N4CCOCC4)cc3NC2=O)cc1OC 104499936 DDPMREZNEOXFCE-QGOAFFKASA-N 437.452 2.307 30 10 IEEE N#C[C@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc(N)nc(=Nc2ccccc2)[nH]1 429352599 IUQLXZMCKNXZDO-CYBMUJFWSA-N 432.394 2.573 30 10 IEEE Cc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCO3)CC2)n1 460902722 NIIDVGOHXSHOOS-GOSISDBHSA-N 436.545 2.482 30 10 IEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CCOC)C(=O)C1 460956779 CMKSKIUSBJSSDN-LJQANCHMSA-N 427.505 2.052 30 10 IEEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(F)cc1 466554077 ZAMGWZBISCBXFV-LJQANCHMSA-N 446.504 2.101 30 10 IEEE COc1ccccc1N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481221296 VNQZHZVZJKUBFH-INIZCTEOSA-N 442.541 2.019 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 481474957 BVYYGNJGGFUYJR-LXGCGDOSSA-N 441.486 2.292 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(Cn4ccnc4)cc3)C2=O)cc1 487056544 CURZJFGYDOBTNE-QFIPXVFZSA-N 428.496 2.403 30 10 IEEE N#CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 487215027 AXIRLWKQMPNUTB-FXAWDEMLSA-N 440.525 2.238 30 10 IEEE CCCCCN(C(=O)CN1CCC(C)(C#N)CC1)c1c(O)nc(=O)n(CCCC)c1N 506030068 FTEXWEANAOBXEI-UHFFFAOYSA-N 432.569 2.480 30 10 IEEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(-c2cccs2)n1 506818548 DQYVCIGJBXADDE-UHFFFAOYSA-N 441.538 2.167 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N(C)C)CC1 508911576 IWNFZVOOJWFTIL-UHFFFAOYSA-N 430.940 2.352 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCCCOc2ccc(Br)cc2)CC1 519455542 LQFYXHLVLWTZKS-UHFFFAOYSA-N 438.366 2.445 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543659682 WQFFFSKPKJLYBE-UHFFFAOYSA-N 443.550 2.362 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 546214559 IDEQLNDBZKEPQQ-GOSISDBHSA-N 442.882 2.383 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 555249515 QHOLOWNVHJZLGS-UHFFFAOYSA-N 446.494 2.358 30 10 IEEE COc1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)ccc1C#N 564759872 IKLXZCRYIVOPDO-UHFFFAOYSA-N 441.506 2.335 30 10 IEEE COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)ccc1C#N 577992603 VPMXVVORGNIDIV-IYBDPMFKSA-N 443.525 2.295 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(O)nc2ccc(Br)cc12 609987874 LXCOIRXKIQRJNZ-UHFFFAOYSA-N 433.306 2.391 30 10 IEEE Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 735879877 ICHYDMPZNNVQER-FMQUCBEESA-N 428.514 2.039 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CCC(=O)N2C)cc1 744008175 YJNUFAJUZWXKLF-FPOVZHCZSA-N 441.509 2.123 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1 749201086 WKVHCVWOCXZDTE-QFACEVIFSA-N 429.473 2.002 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)c1C 758059313 JZCQBWIATXFWRE-IBGZPJMESA-N 442.589 2.237 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758555678 PONCPJZTWZWWDT-UHFFFAOYSA-N 436.581 2.433 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc(S(=O)(=O)N(C)C)c1C 760401532 XYQDHANGJOEBJT-UHFFFAOYSA-N 441.575 2.087 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)c1 770412548 VZRSGSMAFGOUQZ-UHFFFAOYSA-N 430.333 2.182 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 780198058 HIEXODGRGUQYJX-FUHWJXTLSA-N 438.484 2.399 30 10 IEEE CN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CCN(c2ccccc2F)C1=O 784803093 LWIHRRCGFUTRCO-KRWDZBQOSA-N 428.395 2.070 30 10 IEEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cn2)c1 797167128 LFQYHSURAPQZTP-UHFFFAOYSA-N 427.461 2.369 30 10 IEEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)CC1 798229173 DDPJHUGDKJHVIG-DEOSSOPVSA-N 430.512 2.206 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)OCC)cc1 799033509 ACJMGSRAEIKZIY-IBGZPJMESA-N 448.928 2.156 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)COc1ccsc1 800388374 ZPYOARHRGMJHHB-UHFFFAOYSA-N 427.438 2.050 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@@H](C)Oc1ccccc1C#N 804879155 BXKXSDNZPGBYKC-WBVHZDCISA-N 431.489 2.337 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 805588667 BYPYTBFHNHJXQR-CGTJXYLNSA-N 445.491 2.257 30 10 IEEE N#Cc1ccccc1/C=C/C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 916960233 GXSNIQLDAKGONY-VMPITWQZSA-N 443.437 2.106 30 10 IEEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)c1 1132540936 VNDPLTSPSXXLER-UHFFFAOYSA-N 447.900 2.166 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)ccc1F 1133295387 OJSLPHDPAWBFQG-AWEZNQCLSA-N 427.498 2.029 30 10 IEEE Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc(N(C)C)n2n1 1161668255 IKYNIVFUKLBKFL-UHFFFAOYSA-N 426.502 2.434 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CCCCC1 1167273873 SEUMWDFTGSKRMH-UHFFFAOYSA-N 443.613 2.276 30 10 IEEE COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1177476427 SAEUJGGFONGDNK-IBGZPJMESA-N 440.477 2.120 30 10 IEEE C[C@@H](NC(=O)[C@@H](C)N1CCc2c(CC#N)cccc2C1)c1ccc(S(N)(=O)=O)cc1 1196622941 MUTRMWYZYMLPMH-HZPDHXFCSA-N 426.542 2.024 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)C1 1233851843 ISOPCOPLQMLSMZ-XUWVNRHRSA-N 435.525 2.149 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1280419878 GGXXGMPKQVSOBS-KRWDZBQOSA-N 444.557 2.089 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1286345700 PUVRUGIZTSIKHC-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286387836 ISFDLUNBBPTPJO-KRWDZBQOSA-N 432.546 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCC(OC)CC1 1286408318 FCUNPSYOLXYJQO-UHFFFAOYSA-N 444.539 2.470 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCCC1=O 1286409327 KISZABXGGKVFIN-OAQYLSRUSA-N 433.512 2.266 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCc2ccn(C)n2)CC1 1286493128 FBGKSCVCQIWOBE-UHFFFAOYSA-N 445.571 2.005 30 10 IEEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1286738672 ZKKJZYVYPNNREV-KRWDZBQOSA-N 431.562 2.305 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286964640 JZZVYDUKGYLLCN-NUJGCVRESA-N 431.566 2.073 30 10 IEEE N#CCCn1ncc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c1-c1ccccc1 1287508054 QZZCKEROYHCUSH-NRFANRHFSA-N 430.512 2.490 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2ccco2)CCOC1 1288283795 YKVFMCXDEQAOHP-HRAATJIYSA-N 430.509 2.080 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ncnn2C(C)(C)C)CCOC1 1288299639 CQHBFIPEZMDBKN-QFIPXVFZSA-N 442.568 2.453 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1288976708 CKWDILAZQYBKAJ-UTKZUKDTSA-N 443.577 2.207 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCN3CCOCC3)[C@H]3CCSC3)n[nH]2)c1C 1298701015 WBFPSYPIEJSSSD-SFHVURJKSA-N 444.605 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1300269967 ABBCMQMCMYPUTN-HOTGVXAUSA-N 446.577 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C1CC1 1300283542 NMYFZIGZTHIUCU-DLBZAZTESA-N 444.605 2.136 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F 1300284659 URHGNYBOEGAPGX-CQSZACIVSA-N 426.489 2.478 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1300466660 ZOZHCYHBEFGGBS-QGZVFWFLSA-N 442.520 2.108 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1300497107 XMDQHQVBIYEAIR-SFTDATJTSA-N 442.585 2.410 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)N1CCOCC1 1300548537 JVDOYVRYJFUIPY-UHFFFAOYSA-N 437.544 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1Cc1ccc(C)n(C)c1=O 1300591164 MAOSWSWWFHRQFY-UHFFFAOYSA-N 429.524 2.418 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2ccccn2)CC1 1300705961 FPPIGAZVGVEOCM-UHFFFAOYSA-N 430.556 2.465 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301150637 YVZJNPRGSASYDY-CQSZACIVSA-N 437.566 2.477 30 10 IEEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1301984752 VLNATFLUHVNOMJ-MRXNPFEDSA-N 439.564 2.169 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1302989019 GBDYLQZOCCPHOM-INIZCTEOSA-N 447.465 2.027 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCO[C@H]2CCOC2)cc1 1302989943 WLJUAWVQQUYWLH-QUCCMNQESA-N 438.532 2.104 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CC(=O)N1C 1305204811 BSVLXPYMXBTWAN-INIZCTEOSA-N 426.521 2.211 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 1309141958 LGFMWGAXZFEERN-UHFFFAOYSA-N 449.598 2.224 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2COc3ccccc3[C@@H]2O)cc1Br 1309546386 GGINREZOSBBRRU-BBRMVZONSA-N 427.251 2.233 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 1310931381 HKSCGLBGTWEKDK-CQSZACIVSA-N 428.411 2.361 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1315566346 HDUKTIYNCPXPAL-BBTUJRGHSA-N 440.548 2.182 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358908057 KGTXDGKNIHHKJG-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1358930169 PPJMRHKMDQDMGM-LPHOPBHVSA-N 449.552 2.361 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358937037 GPFWAIRVHMZXAS-UHFFFAOYSA-N 427.472 2.137 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C2OCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1358955168 GAXSOERORDWSMY-LJQANCHMSA-N 444.557 2.122 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359173238 ZZMVGYJOZYBNEV-ROUUACIJSA-N 426.521 2.379 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(c2cccc(OC)c2)CC1 1359298169 PQGBNVXJSXPDLZ-UHFFFAOYSA-N 433.516 2.430 30 10 IEEE C#CCN(C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)[C@H]1CCCc2ccccc21 1439629781 YWNZYAXHHFZFPE-FQEVSTJZSA-N 430.508 2.348 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)ccc1F 1460080929 UIUJYMYBGLKEOS-UHFFFAOYSA-N 430.454 2.085 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 1460666789 PFBVDWZKMKSNGI-ACRUOGEOSA-N 447.624 2.400 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1464970857 RTEQHYXRYLUBHP-SFHVURJKSA-N 431.489 2.384 30 10 IEEE C[C@@H](CC(=O)NCCOc1ccc(F)c(Cl)c1)/N=C1/NS(=O)(=O)c2ccccc21 1468209735 UFIWPRHFYHFJIN-LBPRGKRZSA-N 439.896 2.491 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)s1 1471209007 NOKBDXHBWQIVKK-ZDUSSCGKSA-N 431.580 2.174 30 10 IEEE C#CC1(O)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)C1 1478952081 WFEKRNFUSKTYEC-WMZOPIPTSA-N 447.507 2.317 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1502468768 FHYXRLDAADCAIV-SJLPKXTDSA-N 446.602 2.088 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1507546498 REEHMKZPFHOJJT-IAGOWNOFSA-N 432.546 2.148 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507624659 CTMBIQIUVHJHGO-MJGOQNOKSA-N 444.557 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCOC1 1507645343 ZYIDHVNPZJFKJP-LJQANCHMSA-N 433.281 2.071 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](SC)C(C)(C)C 1507710210 CYBZGBXZYIUSGK-CVEARBPZSA-N 428.624 2.044 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CCC)C2)CC1 1507720574 LTNHSFMABJOZMO-IBGZPJMESA-N 437.548 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(C)CCCS2)CC1 1507735736 GBCJPSIFQHVMIP-VGSWGCGISA-N 449.621 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(N(C)C)CCCC2)CC1 1507737615 ARPYDKRWHGLEFN-HXUWFJFHSA-N 442.608 2.012 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)CC1 1507884069 CQJBWPBPINSSTL-QGZVFWFLSA-N 437.591 2.186 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1507982170 MVOUPEXGRQOWOC-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1508033006 JIRLXYQNZPZQGP-IEBWSBKVSA-N 432.546 2.353 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1508035987 IEPSGITTYMCNQD-MSOLQXFVSA-N 425.599 2.245 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)O1 1513544495 SYBZOYDEAMBWHM-GEQKSPFYSA-N 438.532 2.388 30 10 IEEE COC(=O)C1CCC(NC(=O)Cc2ccc(Br)cc2C#N)(C(=O)OC)CC1 1518219212 PDGDFOLKPNQKNZ-UHFFFAOYSA-N 437.290 2.254 30 10 IEEE COC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1518730551 FCQCTAOFKLVSPQ-QRWLVFNGSA-N 432.550 2.061 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1519301752 BMSRGLHFIDTREC-DPPKGPFUSA-N 446.552 2.299 30 10 IEEE CCn1c(O)nc2cc(C(=O)Nc3sc4c(c3C#N)CCN(C(C)=O)C4)ccc2c1=O 1533846929 CSGUSUZLGVOCLO-UHFFFAOYSA-N 437.481 2.212 30 10 IEEE CCc1c(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C 1536458010 BDHIIOIPDNGGKX-MRXNPFEDSA-N 445.401 2.100 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1539345619 WTNHEWKRERNAJR-QFIPXVFZSA-N 426.521 2.317 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nc(C)c(C)s2)CC1 1539428843 XGDUYCDLIJODNM-UHFFFAOYSA-N 429.594 2.073 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1539434855 VXBLYRDWEZEKFY-ICSRJNTNSA-N 439.560 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCC2)CC1 1539474231 MARJQKSIEBBKSO-UHFFFAOYSA-N 441.967 2.055 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539900474 NMTFOHKLCYQWAW-HSZRJFAPSA-N 430.597 2.417 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC 1540503990 FAPUPWALFRJKAR-ZDUSSCGKSA-N 433.914 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1540900634 BWWWBEGCLZWEIV-HNNXBMFYSA-N 448.442 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540902052 YWFFUKVRKFIYMS-IBGZPJMESA-N 438.594 2.311 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1546190942 HTOHTRWMJDWKQG-UTKZUKDTSA-N 446.552 2.231 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(SC)CCN(C)CC2)CCOC1 1547883105 DVAYCXYJVGNOIM-JOCHJYFZSA-N 448.637 2.498 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1548005827 UBJZTDNFSDZZMG-JKSUJKDBSA-N 449.458 2.409 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1554844593 JNOHWWAIYKJYTJ-JOCHJYFZSA-N 436.472 2.177 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCSC1 1555100930 BDEXDYNOZNCKGX-UXHICEINSA-N 433.509 2.176 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1556344553 DNDRSZOKDOJLES-SJORKVTESA-N 431.537 2.326 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1567507640 IOHIMVXUHOIQJC-BIGNBACZSA-N 432.480 2.051 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1583961170 QRLLYZZURIEQHA-ZJPYXAASSA-N 426.579 2.471 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1586346260 PZKWBCYPSQUKIZ-UHFFFAOYSA-N 440.529 2.225 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC2(C1)OCCO2 1587580157 NFHBJSGXICEIDP-DLBZAZTESA-N 444.557 2.350 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587872560 MEEGKZJSAOTUPL-HXUWFJFHSA-N 440.569 2.112 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1587894548 WFGHULFXQYJBBI-JPYJTQIMSA-N 429.565 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@@H](F)C1 1588124753 PYTHYZRTYULNAJ-IAGOWNOFSA-N 428.537 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(C)CN(C)C1=O 1588595267 QQYWSZNVLPWJSH-OAQYLSRUSA-N 433.459 2.111 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCOC(C)(C)C2)CC1 1588790768 AYBCSPILNYJZOU-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[S@](=O)CC)CC1 1588908686 VDDOGTPOHGNFGT-SSEXGKCCSA-N 447.992 2.333 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(CCC)C2)CC1 1588914061 UPTCGNLWVLMGTC-IBGZPJMESA-N 435.576 2.038 30 10 IEEE C#CCSCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1589125404 KINGDJMAYUJYEL-ICSRJNTNSA-N 446.665 2.321 30 10 IEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 1595343642 PJNSVLHPBABARW-UHFFFAOYSA-N 434.338 2.497 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(COC)cc2)C1 1595745005 PYCKJOCFVQIWTC-HXUWFJFHSA-N 425.533 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1ccccc1F 1595785153 ROXWEQBVQTXPFF-UHFFFAOYSA-N 432.525 2.445 30 10 IEEE Cc1csc(C[C@@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1596399431 BSVYWJGQHBOSBO-RDJZCZTQSA-N 432.571 2.471 30 10 IEEE Cn1cc(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c2cccnc21 1597278552 LRDONZOINNBIFN-LJQANCHMSA-N 430.468 2.009 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cs1 1612402129 COQWDUIYULUULM-OAQYLSRUSA-N 446.600 2.102 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2ccccc2F)CCOC1 1616260128 AVUWOJKDSWTIJT-XMSQKQJNSA-N 429.496 2.431 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@@H]1C 1616484789 AKOOCFLKUIIECB-RBUKOAKNSA-N 440.548 2.469 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1617969225 FOCYCBLQDMNYAS-UHFFFAOYSA-N 434.548 2.297 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(C#N)o1 1618310836 ZTGRPJOBNYLMIH-UHFFFAOYSA-N 440.485 2.190 30 10 IEEE COCC[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619800817 GZSMIUNOWIYSDQ-SLNYWTKHSA-N 436.516 2.334 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1c1cnn(C)c1 1619912260 WXNZSPJNRQPIOX-LJQANCHMSA-N 449.563 2.418 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1623730069 GWYJWQUBHCUSFS-UYAOXDASSA-N 437.393 2.157 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1 1626114718 NZZUTXDDGAHJMZ-UHFFFAOYSA-N 439.603 2.006 30 10 IEEE COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C[C@H]21 1628301938 RJARGOLFAGOZDR-YDZRNGNQSA-N 425.485 2.270 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1629838767 CBYVWZAFCURWEJ-OAHLLOKOSA-N 435.974 2.049 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)c1ccc(F)cc1 1629942927 NUXYJBORZTTXIG-KRWDZBQOSA-N 447.532 2.317 30 10 IEEE CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1632610638 CXSDGKPKEPKLGZ-VEGAHXMMSA-N 425.485 2.068 30 10 IEEE CS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1633186656 BGIRGTIBJGVALU-UHFFFAOYSA-N 430.505 2.274 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)CC1 1635159798 DKIYAPADSHSGSF-UHFFFAOYSA-N 443.525 2.029 30 10 IEEE C#Cc1ccc(CNC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 1635841397 UZNUAQUJQUINSJ-UHFFFAOYSA-N 436.537 2.367 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3C3CCOCC3)CC2)cc1 1637008579 MRCIBXJUAJWGBK-UHFFFAOYSA-N 443.529 2.146 30 10 IEEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1640992585 RWKOZQPLIRHVBG-UHFFFAOYSA-N 441.557 2.486 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)nnc1-c1ccco1 1642545388 OKBNMLOMOHOVQG-CABCVRRESA-N 436.559 2.384 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)C1(CO)CCC1 1643776774 BNLXHUFASGEFIV-OXJNMPFZSA-N 427.526 2.245 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)cc1 1643850568 UWIFFFJELAKICX-INIZCTEOSA-N 444.413 2.487 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1644234831 ZLBJZBBVIDYUCN-UHFFFAOYSA-N 438.509 2.283 30 10 IEEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1645674257 SQQWGROOSUHJOB-RUZDIDTESA-N 435.524 2.483 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC4(CC3)C[C@H](O)CNC4=O)c2C#N)C1 1648506868 YPDXTRIJIAOWEY-CABCVRRESA-N 430.574 2.036 30 10 IEEE N#Cc1cc(C(F)(F)F)cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 1649178822 HXNNMCCKHVOBKN-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE C#CCN1CCN(C(=O)CN2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)CC1 1656451135 OJKYZJOLSJOMCI-UHFFFAOYSA-N 440.588 2.284 30 10 IEEE C#CC[C@@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1670715527 AGJBZBWXPWJYDG-LJQANCHMSA-N 430.486 2.279 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)CC2)c1 1683703955 TWFANUQHCYIWDT-UHFFFAOYSA-N 449.515 2.358 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)CC1 1684880280 LLGHKPFIIAJEIF-UHFFFAOYSA-N 448.571 2.202 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)C1 1685267392 XOBIKDQDTWJTPR-QZTJIDSGSA-N 428.499 2.307 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1689966501 TYMKZXLJIRZJPZ-GOSISDBHSA-N 443.552 2.251 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689992046 GHMJPTXLRNKQSL-GOSISDBHSA-N 440.573 2.153 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1690048535 LBWAOQLSCVQQDF-JYAXBFRTSA-N 433.556 2.137 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCO[C@H]1C(C)C 1690092247 AYERDAJDYVUDQE-MJGOQNOKSA-N 426.521 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1690098257 BPACXGLCONKHMK-UHFFFAOYSA-N 428.556 2.196 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1691001303 GSPZCSUKGRXWOA-OLZOCXBDSA-N 437.426 2.318 30 10 IEEE C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1)N(C)C 1692728925 RTCRMDCUBNXGJR-FUHWJXTLSA-N 447.584 2.277 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nccnc2C)cc1OC 1696126267 GAVBIDGSEXHKOX-SFHVURJKSA-N 449.515 2.422 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1 1696458554 WUFUBKBCTFYIBD-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1697273160 HRUYAYUFHJEUFL-JTSKRJEESA-N 445.495 2.042 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1697335227 ZAFHBFOLLBMACI-AYAKEVCGSA-N 435.488 2.218 30 10 IEEE COCC(C)(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1697720479 HYXDBNKLHQWQLM-MRXNPFEDSA-N 446.577 2.451 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1Cl 1698172640 XIVCAWHOPVXYPY-JKSUJKDBSA-N 435.912 2.463 30 10 IEEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)CC1 1698490276 QHILJWFQXLNBJC-UHFFFAOYSA-N 427.818 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1705495616 SFLOJIWFNBCEJC-CEWLAPEOSA-N 441.601 2.303 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](OC)C(C)C)c1 1705505366 MSPHIRDHEDNMER-FQEVSTJZSA-N 433.516 2.462 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705533251 WLHHQLHCMJXUFT-MRXNPFEDSA-N 429.550 2.292 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705545055 NPCWJXSWCMOUKE-XMSQKQJNSA-N 444.557 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(NC(C)=O)cc1 1705572920 TUDZBTVJJMYRAC-UHFFFAOYSA-N 441.495 2.199 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](CC)OC)CC1 1705643581 LFWXLQFJQOSXBC-CEXWTWQISA-N 446.596 2.229 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)CC)CC1 1705646425 YDWYAAJFGUZVNB-HSZRJFAPSA-N 425.533 2.081 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@]2(CCOC2)C1 1705654271 BLGVSSCJGFRGSM-FQEVSTJZSA-N 429.502 2.215 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1705658856 CJJVAEUATKNKNP-UHFFFAOYSA-N 425.562 2.009 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1705878755 ZFTSYRONTKQMEX-TZIWHRDSSA-N 438.576 2.185 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1705910189 UPYBUMFFDZTTCO-KRWDZBQOSA-N 427.505 2.029 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1706748366 IJUQBJQMYUVUPV-BBRMVZONSA-N 434.504 2.247 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1706824095 BXIZETFFQSZVFM-SFHVURJKSA-N 442.589 2.250 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1711444953 YBJQMTDVDXJLJT-SFHVURJKSA-N 436.516 2.121 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N2CCNC2=O)CC1 1722324949 BFMCRULIWWRDAR-UHFFFAOYSA-N 446.353 2.443 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCO[C@H]1C 1722378355 ARVBXYUXQIJZSS-UGSOOPFHSA-N 435.347 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1722426910 HWYFYCHIJFXKTO-IBGZPJMESA-N 425.533 2.166 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722436878 MRASRIGYYPLGBF-MSOLQXFVSA-N 432.569 2.188 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C/C=C/c2ccccc2)CC1 1722440477 HQYFCJDTDSUGQS-DHZHZOJOSA-N 446.555 2.193 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CCOC 1722471072 QMNSFQDPHQAJRE-DHIUTWEWSA-N 426.517 2.496 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722486676 AVABNXNIOCOZKM-OAHLLOKOSA-N 446.415 2.247 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722508686 TXLHNGJUKHVRMK-OTWHNJEPSA-N 431.562 2.335 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722603704 LTIKQVBPDVLZOV-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722628666 YNAVJZIRXVTDTG-UHFFFAOYSA-N 439.564 2.349 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1722659833 DSTALKXGUWMFAW-GCJKJVERSA-N 429.496 2.366 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722683714 WXWWKDNNZYZAFF-QFIPXVFZSA-N 440.592 2.371 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722692998 APWUUNGLKGXYKG-RDTXWAMCSA-N 426.477 2.159 30 10 IEEE Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1725727054 AGYJIGDWNAYITB-UXHICEINSA-N 432.532 2.365 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1730917590 ADUYZDKTNMZATM-WZONZLPQSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCN(CC)S(C)(=O)=O 1740556941 GTKSBEBQPLXLPI-SFHVURJKSA-N 442.589 2.411 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740586425 APHCKCNYMXDPKU-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1740628281 OYXPNRGEBHMENN-FQEVSTJZSA-N 428.558 2.327 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](COC)OC)CC1 1740700398 RNFWLOXKFQTFHK-IBGZPJMESA-N 429.590 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2c(C)nn(C)c2C)CC1 1740703767 DMEQHIQYZCGDHY-UHFFFAOYSA-N 449.534 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2cnn(C)c2C)CC1 1740704285 MYSXFZQQAKFOIR-UHFFFAOYSA-N 431.544 2.310 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740804619 BWBFPBRBGKEWFU-IRXDYDNUSA-N 449.964 2.349 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCCc2ccccc2)CC1 1740817839 VXAOYIWXYGCLNG-UHFFFAOYSA-N 445.527 2.441 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1740942656 YFDOBJOBUDQISP-INIZCTEOSA-N 439.607 2.097 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1740966381 YBIPSFKSEPPZLH-FQEVSTJZSA-N 430.509 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC2(C)C)C1 1740972034 CAXJPPRCYIJKPX-GVDBMIGSSA-N 425.599 2.496 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(N(C)C)CCSC2)C1 1740981943 RIMWRBMLNSXTLU-UGKGYDQZSA-N 428.606 2.483 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1741799120 HMAJYVSCLSTPKX-HNNXBMFYSA-N 442.545 2.104 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1741994414 HBOVHTQEQMBRMQ-GCJKJVERSA-N 443.573 2.381 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1746464723 OHNBCIYDPFGQMC-NFBKMPQASA-N 429.613 2.330 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1748638221 LEZGONGWRPHVBZ-MRXNPFEDSA-N 431.500 2.133 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2OCC[C@H]2C)n1 1748970555 JNZBQIPYGAWBSW-WIYYLYMNSA-N 437.548 2.191 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(N(C)C)c2)CC1 1748995137 YJGDPUDGXQSWBZ-UHFFFAOYSA-N 432.576 2.009 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1749159749 XUHBZORDDGEBKU-SJORKVTESA-N 443.614 2.075 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1749574744 DIZGTWWMBBETLH-KRWDZBQOSA-N 437.591 2.208 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1749650192 MZNPLUJUBVYCCH-OAHLLOKOSA-N 446.939 2.030 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(OC)c(F)c1 1749678135 XAIAIRKFJJGQHD-UHFFFAOYSA-N 441.511 2.226 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(CC)[C@H](C)C1 1749680371 KGZBECAGPTXYTO-GOSISDBHSA-N 426.565 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2CCCC[C@H]2C1 1749736205 GMKVNFLCNDOICE-NRFANRHFSA-N 443.617 2.453 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)NC(=O)OC(C)(C)C 1750347128 IFZPTMPTDQLNHQ-OAHLLOKOSA-N 439.520 2.056 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1760211790 MJUDDJKSNSHJRQ-RUZDIDTESA-N 449.555 2.052 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCCN1CCOC1=O 1760223062 JEQHFYJITQVKKH-UHFFFAOYSA-N 425.464 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C/C=C/c2ccccc2)CC1 1760264979 JLBLUXZKJURBKJ-DHZHZOJOSA-N 434.544 2.096 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1760455875 BKPKSSHYTNEQEQ-HNNXBMFYSA-N 434.566 2.275 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1760528143 TUXYZJMVHDOECG-HOTGVXAUSA-N 431.562 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1760534209 STVHZDZQPBHVMX-CVEARBPZSA-N 444.502 2.082 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1C[C@H](F)C1 1761235758 KAKKPJVSOMBBCI-SAABIXHNSA-N 440.527 2.148 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCn2cc([C@H]3CCOC3)cn2)n1 1762415287 XIVIVGRPUBTMLV-APWZRJJASA-N 437.552 2.136 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1763656485 AKFTYFPFEFKGNY-FQEVSTJZSA-N 449.559 2.228 30 10 IEEE CCN1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1 1765412304 WQUQJTIYHZYOSR-ZBFHGGJFSA-N 448.369 2.117 30 10 IEEE CCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1765624554 FWSOHPLGTAYTJT-QHCPKHFHSA-N 437.548 2.344 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1768503742 KVCVTEVUMBDGGE-OAQYLSRUSA-N 447.561 2.145 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1768813864 LZEOABCHFGVRJB-CQSZACIVSA-N 426.502 2.255 30 10 IEEE CO[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1769094986 PIKWRTCXUUIRQN-LVOTYXHCSA-N 428.537 2.323 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1770157727 TVUAYXAKQUAVGO-UHFFFAOYSA-N 433.516 2.201 30 10 IEEE CN(C(=O)[C@H]1CCC(=O)N1Cc1ccccc1)c1snc(N2CCOCC2)c1C#N 1852016788 OWHZMMGHSOISOP-QGZVFWFLSA-N 425.514 2.005 30 10 IEEE Cc1ccccc1N1C[C@@H](C(=O)N(C)c2snc(N3CCOCC3)c2C#N)CC1=O 1852373459 JJNXZSXBAWAOQC-HNNXBMFYSA-N 425.514 2.176 30 10 IEEE COCCN1C[C@@H](C(=O)N(c2ccccc2F)c2nccc(N(C)C)c2C#N)CC1=O 1852670128 UMCXBJSPRWQECF-HNNXBMFYSA-N 425.464 2.318 30 10 IEEE Cn1nc(-c2ccncc2)cc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852765816 NKMQNQQATAWHRA-NRFANRHFSA-N 447.495 2.290 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CSc2ccc(OC)cc2)C1=O 1853790218 WLPFGHOWGIRSCG-RTBURBONSA-N 431.558 2.024 30 10 IEEE N#CC1CCN([C@@H]2CCCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1855605727 ZJUDICVGFPGJFL-GOSISDBHSA-N 437.949 2.257 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1 1859013533 AUHXTABCSTXFRQ-UHFFFAOYSA-N 425.466 2.189 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(Br)cc2)[nH]1 1871473302 PILNYQAYZFPFNB-UHFFFAOYSA-N 449.353 2.399 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCn3nc(C(F)(F)F)ccc3=O)n[nH]2)c1C 1889736820 YRCQOQXQVBDJCZ-UHFFFAOYSA-N 449.437 2.472 30 10 IEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 1891899472 VPOCERMCVILLQZ-MSOLQXFVSA-N 448.479 2.352 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2015901594 RTLQLWDWXYXBJS-YCRPNKLZSA-N 440.541 2.062 30 10 IEEE CO[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)C1CN(C(=O)OC(C)(C)C)C1 2060637058 GEDZOYUQJUFBBK-INMHGKMJSA-N 436.358 2.419 30 10 IEEE C[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2068019980 BHPIENPOIXSZJE-MXASKKJJSA-N 435.374 2.134 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1 2174560397 SXCBDSSLVBMRAN-HLAWJBBLSA-N 425.510 2.331 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2224073476 MQMPYKDXYXZBBL-DOTOQJQBSA-N 433.358 2.499 30 10 IEEE CC1(C)OB(c2csc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247822660 HMVPQEJSYKHSSE-KRWDZBQOSA-N 432.273 2.330 30 10 IEEE C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247834354 USMZUOGVDXHKIA-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2247903234 ZTCOZPCDAIGIAJ-JKSUJKDBSA-N 442.387 2.445 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)ns2)OC1(C)C 2247918635 LXMHYUUXIFOJII-MNZLEMJZSA-N 425.363 2.303 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)Cc1ccccc1 2247953814 VRZBAXAWVGOGQE-UHFFFAOYSA-N 431.363 2.477 30 10 IEEE COc1ccc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255544951 IUALNNVFVMANMF-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE CC(C)(C)OC(=O)NC1CCC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255594917 FYRXCPULCYYYIX-UHFFFAOYSA-N 434.346 2.275 30 10 IEEE Cc1cnc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255621247 JXWBYCGCMFNZAF-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808818 OOJAEMFZYSHDOA-CABCVRRESA-N 431.342 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)CC2)C1 2255866038 NKUKBTZRQSRJKC-IAGOWNOFSA-N 435.374 2.232 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]2C1 2256620849 NRZLQEMYZXLNBD-STQMWFEESA-N 449.382 2.171 30 10 IEEE Cc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998848 JDHKFUWLBAZSLA-LPHOPBHVSA-N 438.381 2.278 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267137950 QWKPDNVRFHFOED-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CCC1 2267177625 QJXGSLKPEYSYDR-UHFFFAOYSA-N 448.373 2.192 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267272257 YKMRVXUMBLZDTJ-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267504593 VBIRLXSOVVIAJN-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267519241 GIJJMTBWBJKEGZ-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523893 IFBZHEVPAJAOBQ-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267587105 SYDLIXXQLATDPE-CGTJXYLNSA-N 443.353 2.366 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268635119 NRCIPGQXGLDFMO-CABCVRRESA-N 447.341 2.344 30 10 IEEE Cc1c(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2271951054 DHNZXIRHNIXEHZ-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2278693249 RZLOLVMFIQONEC-QAPCUYQASA-N 448.369 2.185 30 10 IEEE C=CC[C@@]1(CN)CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2287789603 FATIOVNXCXSODG-SFTDATJTSA-N 437.537 2.100 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccccc1 2296079369 KQHUKPXKCHZRFF-FQEVSTJZSA-N 437.452 2.349 30 10 IEEE COc1ccccc1[C@@H]1C(=C(O)c2ccncc2)C(=O)C(=O)N1CCCN1CCOCC1 2296139139 VEYXOCNRPUAVSS-OAQYLSRUSA-N 437.496 2.234 30 10 IEEE C#CCCN(CC(=O)O)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2299770389 TWDKYCMFACQKDY-UHFFFAOYSA-N 430.501 2.377 30 10 IEEE COc1ccc(OC)c(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 2327902089 VBZFKULXKZDJMG-HNNXBMFYSA-N 447.561 2.376 30 10 IEEE CC(=O)NCc1nnc(SCCO)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330794458 XBPVPTCIWNGHKF-UHFFFAOYSA-N 439.497 2.100 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2334263220 SRHXSNUMDHJRJY-RBSFLKMASA-N 446.357 2.084 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2337193965 IEAIEDWXDYIDOG-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3)n2N)c(OC)c1 20291720 KKTLRKILULPOMW-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1C 103226332 HGZTWEKBLIAURB-ORKPOYISSA-N 429.473 2.385 30 10 IEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3oc(C)c(C(=O)OC)c3C#N)CC2=O)cc1 170521528 RHMPTVHZRFPUFV-AWEZNQCLSA-N 439.424 2.415 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 479178948 QVLFZEFBGIIEBO-FYYLOGMGSA-N 448.571 2.324 30 10 IEEE COc1cccc([C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)c1 487179631 IZWAKFCMLFPVLI-FGZHOGPDSA-N 434.496 2.451 30 10 IEEE CN1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 497468522 GIPHGNUOZPIJAP-FPOVZHCZSA-N 433.480 2.313 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 503133172 RUHHBOCFEZPCNQ-DVECYGJZSA-N 442.560 2.262 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 522388397 KDTADQUFJOCRLP-MRXNPFEDSA-N 441.509 2.115 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 523652698 GNGZRFFXFCUANL-UHFFFAOYSA-N 442.537 2.218 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cnn(CC)c3)c2=O)cs1 523859935 ODGOLMRHCPJIJP-UHFFFAOYSA-N 439.566 2.007 30 10 IEEE CN1CCC(N2CCC(CCN(C)CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 532827945 SZIODBCVSQTRDK-UHFFFAOYSA-N 432.634 2.460 30 10 IEEE CC(C)N(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCOCC1 533074426 GBZHTONNUYQJNE-UHFFFAOYSA-N 427.505 2.344 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)CC1 549160245 ALFAFABJAAQHLL-LJQANCHMSA-N 431.562 2.062 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553438105 SAIMJTFUSQDJQR-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 685552583 NWAGLGVPYDOKNP-LJQANCHMSA-N 428.606 2.444 30 10 IEEE C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1N)C(=O)Nc1sc2c(c1C#N)CCC2 750416577 MZJDVBVTWWMURO-SNVBAGLBSA-N 433.511 2.278 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(S(=O)(=O)N(C)C)o1 769720982 ZITSDZGDZOBPQM-UHFFFAOYSA-N 429.248 2.392 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)C1=O 770113469 WYEOMWLTLRMXSQ-LOSJGSFVSA-N 446.507 2.338 30 10 IEEE C[C@H](CC(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 771636480 FYMGXCVQZIIKAX-AUUYWEPGSA-N 445.516 2.367 30 10 IEEE C=CCOc1cccnc1C(=O)OCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 775112711 MUMMLUSONIDTOF-UHFFFAOYSA-N 439.516 2.374 30 10 IEEE Cc1cc(N2CCN(C(=O)COC(=O)c3ccc(F)c(C#N)c3)CC2)nc(C(C)C)n1 792305470 KSWUMRSEPLAXDG-UHFFFAOYSA-N 425.464 2.425 30 10 IEEE C=CCOCCCOC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 795317680 IJGIQQRSSIQMAD-UHFFFAOYSA-N 426.491 2.440 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1 797548255 VSJYMOXQFYYUGN-LJQANCHMSA-N 427.482 2.305 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 797703781 XQQQUHCDVNHXQW-FQEVSTJZSA-N 430.549 2.007 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 803525368 OCWVBPBGSDJTRP-HXUWFJFHSA-N 427.526 2.016 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(Br)ccc1O 804733380 PTAAHMGKLQWCQC-NSHDSACASA-N 438.303 2.010 30 10 IEEE CC(C)(C(=O)NS(=O)(=O)Cc1ccccc1C#N)S(=O)(=O)c1ccc(Cl)cc1 805843814 SEXJADJQOQABGA-UHFFFAOYSA-N 440.930 2.410 30 10 IEEE O=C(NCc1cccnc1N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1)[C@@H](F)C(F)(F)F 810382401 CZPHNKVOOMBRQQ-GHMZBOCLSA-N 448.314 2.147 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)c1 812918255 DSAJBYSTQSIXIP-BXDHAIISSA-N 432.468 2.465 30 10 IEEE N#CCCOCCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 815179312 SKMZDQPQQBIUOB-OAHLLOKOSA-N 431.308 2.076 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 815477312 FAYVSGWBGDVDRI-NWDGAFQWSA-N 427.379 2.319 30 10 IEEE C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)c1 1130902064 IGUSQNZBEUHGML-LSDHHAIUSA-N 425.407 2.056 30 10 IEEE C#CCN1CCCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 1136863083 OGBGXTLTITZACA-HNNXBMFYSA-N 427.364 2.026 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)C1 1139145594 KBOPBZXGGRQXLA-AUUYWEPGSA-N 448.361 2.441 30 10 IEEE COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N[C@H]2CCN(O)C2=O)cc1 1141377772 ALSMFNYICNKOIS-HNNXBMFYSA-N 448.273 2.430 30 10 IEEE Cn1cc([C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C2(CO)CCC2)cn1 1159196231 VYSRKXOPUVOMNL-SFHVURJKSA-N 433.306 2.453 30 10 IEEE C=CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 1190328446 KLDDTXTXIATQLJ-UHFFFAOYSA-N 428.576 2.265 30 10 IEEE C#Cc1cccc(N(C)Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)c1 1190865187 QOHIMYLHMGUXEA-UHFFFAOYSA-N 425.466 2.104 30 10 IEEE C=CCN(C(=O)Nc1nc2c(s1)CCC[C@@H]2C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1218790950 AATFUTMIEUESBU-STQMWFEESA-N 427.548 2.333 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)o1 1286338065 DQHGKGROTNBBPC-LBPRGKRZSA-N 444.355 2.294 30 10 IEEE C#CCCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286360125 PWMJBGMPLAMSOX-HDICACEKSA-N 430.553 2.131 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)[C@H](C)CC 1286409152 PBALFRZERCQKBO-MJGOQNOKSA-N 442.589 2.372 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)N(C)C)CC1 1286473935 WFBXJEKGYAJSCM-MRXNPFEDSA-N 431.382 2.413 30 10 IEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286496232 BNPAFUPFZFCLTK-UTKZUKDTSA-N 438.594 2.143 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCC=C)C1 1286501371 WBDROKWMISNBBD-IBGZPJMESA-N 436.545 2.069 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286562056 PTUYRWSJYOSKHF-MJGOQNOKSA-N 431.562 2.335 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COCCO1 1286762515 HWBGFRVNFOVXBC-GOSISDBHSA-N 438.488 2.169 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1nncn1C 1286780438 TWBHMVMLWKCFDV-MRXNPFEDSA-N 426.912 2.371 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nnc(C)s2)C1 1286814489 SVCIQUSAEJYGPS-BQFCYCMXSA-N 434.566 2.186 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1c(C)noc1C 1286821749 UFOGWCQJCMZPSV-UHFFFAOYSA-N 430.534 2.106 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1288735524 DXMYGSXSLQVFGF-GFCCVEGCSA-N 431.440 2.160 30 10 IEEE O=C(c1ccc(-n2cnnn2)cn1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1289424810 QADTYXFXSVWVLZ-DTORHVGOSA-N 442.270 2.300 30 10 IEEE Cc1coc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1290315054 JXFGVQOJTHSVIB-UHFFFAOYSA-N 441.513 2.222 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1290542078 AUSBSXMDIXENNQ-UHFFFAOYSA-N 442.474 2.185 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](c1ccc(F)cc1)N(C)C 1290864905 DJLIETZVDZQMFN-KKSFZXQISA-N 449.538 2.405 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC 1293845839 MCEVMJPHLXKNQE-MOPGFXCFSA-N 426.517 2.248 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnccc1OC 1295876397 ALYYVVIZIXKFBZ-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C#N)o2)C1 1299370120 DVVOSDAQVSVRAK-HNNXBMFYSA-N 437.456 2.475 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)coc2C)C[C@H]1O 1299412763 USRSAVOQNSOCEV-UYAOXDASSA-N 435.484 2.435 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 1299770743 UEVJBAACSKVMHH-MRXNPFEDSA-N 449.598 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCCC1=O 1300323298 YHFQGBQRGPNEMU-SFHVURJKSA-N 434.544 2.029 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300403387 ITZGLVOCDCHANE-QGZVFWFLSA-N 426.546 2.414 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccccc2C)C1 1300509304 JCYIEKSYNZIKIC-GUDVDZBRSA-N 425.558 2.388 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2CCC(OC)CC2)CC1 1300719588 HNYBZTRYXPGTEG-UHFFFAOYSA-N 438.576 2.455 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2ccnn2)CC1 1300996533 IAPYWBOROYDNRN-UHFFFAOYSA-N 439.568 2.241 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(OC)c2)CC1 1301120197 KLGWUYRYYQIKQV-IBGZPJMESA-N 438.532 2.070 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1301391905 ZOSVGEPSCUAHSG-DYESRHJHSA-N 434.562 2.476 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccccc2)CC1 1301510365 VOFWZGVJOIYPBA-UHFFFAOYSA-N 448.575 2.159 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCC2)C1 1301544483 XRMSVGLEUOVLBV-KRWDZBQOSA-N 432.546 2.045 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C)C2)CCOCC1 1302121148 QYPCZNRPSPHFFV-GOSISDBHSA-N 441.532 2.254 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2CCOCC(F)F)cc1 1302989293 KDFUHPMXSYRBDM-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCOC(C)(C)C 1303806842 GMJVWUJEDXKLDA-OAHLLOKOSA-N 434.566 2.211 30 10 IEEE Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)c1 1304332372 FWYCIKUCMFOMHG-OXJNMPFZSA-N 434.541 2.190 30 10 IEEE Cc1noc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1304891365 DHVJDBDZRBBBME-NRFANRHFSA-N 435.492 2.380 30 10 IEEE CCOC(=O)c1cnc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1C 1306839857 VMGSSXSDYQDJBT-UHFFFAOYSA-N 432.278 2.306 30 10 IEEE CCN(CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1309269194 GZAOFGHKGVGIED-INIZCTEOSA-N 430.368 2.442 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1312625802 KKURAKVCTVXDEA-JOCHJYFZSA-N 435.528 2.446 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1oc(CC)nc1C 1314387925 CLVLIKOWFKFNMR-UHFFFAOYSA-N 436.520 2.315 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)CCO1 1315011954 CPWTWSMTZXVSNW-QZTJIDSGSA-N 426.546 2.054 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)OC 1316298790 MPOANUUXOFYGCY-FIRPJDEBSA-N 441.532 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1358887240 SBWOGMGHRDRKFE-AWEZNQCLSA-N 429.484 2.107 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1358986159 PCPMKQDUPJNQSH-QZTJIDSGSA-N 444.532 2.455 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)s2)CC1 1359028800 DZOISMJYCVHJCJ-UHFFFAOYSA-N 441.948 2.444 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCn2cc(C)cn2)CC1 1359038160 MCJBMECSGPUKPJ-UHFFFAOYSA-N 433.560 2.434 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN2CC)CC1 1359038980 SDPUNPXIJHCEBX-HXUWFJFHSA-N 426.540 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 1359041249 QXTJVTGNDRLJBD-QHCPKHFHSA-N 434.588 2.389 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1359070597 PXYDLDGXJVDASH-BEVDRBHNSA-N 434.587 2.142 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359156384 DEOFNHHIDQZBJI-JXFKEZNVSA-N 426.945 2.457 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1359188322 LILIOTQALCKISQ-QGZVFWFLSA-N 437.610 2.087 30 10 IEEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N1CCOCC1 1359278877 KBBOQXPATSSVIZ-UHFFFAOYSA-N 439.560 2.246 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1359297323 MQDPXLHBXOBUDC-GOSISDBHSA-N 449.559 2.310 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1359304666 FQTOSDMHRDJZQM-HOTGVXAUSA-N 431.562 2.498 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359340841 BOKQDNCUMZZKJJ-UHFFFAOYSA-N 444.609 2.326 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1360799352 XXKHEBHCVXFVJY-QGZVFWFLSA-N 443.502 2.119 30 10 IEEE Cn1nc2c(c1NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCCC2 1438088464 BTSMVGBRIACEHG-UHFFFAOYSA-N 427.530 2.210 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2c(Br)nc3n2CCCC3)C1 1447476151 AMBFYIHMJHLRIF-NWDGAFQWSA-N 438.326 2.471 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)s1 1447805941 SPFNBDPUPWADBR-WBMJQRKESA-N 440.509 2.355 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCOCC1 1455475870 HOEJOHCYOASAJD-QGZVFWFLSA-N 443.548 2.312 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCc2c(sc(N)c2C#N)C1 1456738433 BKFGNLUDMLEVQL-KRWDZBQOSA-N 449.577 2.142 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1457140368 ZKMDWXKYIVMPNU-AVRDEDQJSA-N 447.557 2.379 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)CCO2)cc1 1460855134 BXFXSRFEMIEXER-OAQYLSRUSA-N 436.468 2.441 30 10 IEEE C=CCN(Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1461944922 XTVNYWXXCHOLLE-SJORKVTESA-N 439.582 2.025 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CN(C(=O)OCc3ccccc3)C2)[C@H](C#N)C1 1469727422 APKAULLDAFPXQG-SJLPKXTDSA-N 443.504 2.066 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC)C1CCOCC1 1470868387 YOWWTBABXFIXDM-KDOFPFPSSA-N 439.350 2.336 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1503203235 WTNWAPYMEJBLRL-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1503501627 WLAIBEZQVRYSPF-UHFFFAOYSA-N 432.532 2.493 30 10 IEEE CN(OC1CCCC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1503642827 WJAOCRPCQOYXOD-VGVBMJIYSA-N 430.509 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CC(F)(F)F 1507520579 DSUXQGFQRPGBGS-AWEZNQCLSA-N 443.495 2.301 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@@H]1C 1507521830 QQBKRNMFNJVIMX-PNLZDCPESA-N 445.589 2.204 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1507560136 CANAZDDKEIWDGD-GOSISDBHSA-N 437.548 2.153 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1507563572 HKZSHUDZXCVZJS-MOPGFXCFSA-N 435.594 2.207 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1507628875 IUOQAKTWVQANFM-IAGOWNOFSA-N 433.603 2.054 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507630428 YQSUOBZELRSESQ-QUCCMNQESA-N 428.558 2.305 30 10 IEEE C=C(Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507850101 BPLSOJYCXLFVTN-QHCPKHFHSA-N 425.533 2.311 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507857661 RAXBBFBBLWDZNN-INIZCTEOSA-N 434.928 2.112 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](OCC(C)C)C1 1508073684 OSJTVAFGZJYXME-SFHVURJKSA-N 428.493 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1508082313 RZMZCOMMXYBWCH-IBGZPJMESA-N 438.454 2.172 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(OC)OC)c2)C1 1508123239 LQTKBXABEAXIBO-OALUTQOASA-N 441.532 2.350 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1513198531 IVSVQCNDJQUTGU-QGZVFWFLSA-N 439.564 2.485 30 10 IEEE COCCN1C[C@@H](Cn2c(C)nnc2N2CCC[C@H](Cc3ccc(C#N)cc3)C2)CC1=O 1519193510 UIHWCCYECWYLCQ-YADHBBJMSA-N 436.560 2.412 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cn1 1521090749 FSOKLECKKMBKFV-UHFFFAOYSA-N 439.324 2.336 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1525356502 IZXANOWDBNRPNF-KUHUBIRLSA-N 439.329 2.400 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1539013720 JRKYXUPCXLTCJF-SJLPKXTDSA-N 443.552 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)OC(C)(C)C 1539299142 FQBZEKRITVVJBC-QHCPKHFHSA-N 445.564 2.306 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539513108 HWHYFOBDKRNFSN-QGZVFWFLSA-N 443.577 2.011 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H](C)C1CCC1 1539803158 FTFCBBIVOJUBFW-GDBMZVCRSA-N 431.990 2.378 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1540880653 MZTDXEQGWUFCCL-GOSISDBHSA-N 446.573 2.409 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H](C)C2)C1 1540883280 XAIJPTHJNIVTRM-MOPGFXCFSA-N 439.564 2.439 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1552680439 GUTRUAPQCVGNKP-MRXNPFEDSA-N 436.438 2.453 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CCCC1 1554722651 HTTJYEHTAXRSDY-QGZVFWFLSA-N 438.532 2.355 30 10 IEEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@H]1CC[C@H](C)C1 1555532034 DHWSUCMRAWTRQI-LPHOPBHVSA-N 446.577 2.007 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 1558073255 OTZOKVOSFLNNGO-HXUWFJFHSA-N 447.944 2.072 30 10 IEEE Cc1c(S(N)(=O)=O)sc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1Cl 1558463939 BIQNBPOYSJIOKL-LBPRGKRZSA-N 439.950 2.341 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)C(=O)OC 1568154448 JBYHBIXCTKTDHL-HOTGVXAUSA-N 428.432 2.391 30 10 IEEE N#Cc1cccc(C2(NC(=O)CNC(=O)c3ccc(Br)o3)CCOCC2)c1 1584871657 FCWXVHYKTWXGLD-UHFFFAOYSA-N 432.274 2.466 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1585804668 DXGBVACGEBYCLU-SFTDATJTSA-N 428.577 2.226 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)c(OC)c3)cc2C1=O 1586542225 NNGVXCXLZUVIGU-CYBMUJFWSA-N 442.493 2.372 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1587638645 GIJARVXLVBPVFW-YJBOKZPZSA-N 430.530 2.073 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1588459160 NHRCZZHGHDCKDA-DBHNTLKXSA-N 433.553 2.048 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)n1 1588724182 UYQRQISUUQQVII-HXUWFJFHSA-N 447.543 2.122 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1593735670 OZTUKGWOHBSYCL-UHFFFAOYSA-N 425.459 2.402 30 10 IEEE CCCN1CCN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2Cl)CC1 1597538878 OGJMPKDTUAIJCB-UHFFFAOYSA-N 444.923 2.035 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ncccc2F)CCOC1 1610449241 XJDRHAJKZHEDQR-LEWJYISDSA-N 448.474 2.374 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1611256986 SSYRSPSBWQAELS-MYDZZUQKSA-N 426.477 2.099 30 10 IEEE C[C@@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1612991832 FQYUDYFASJHLPM-JBYIUTFZSA-N 427.528 2.205 30 10 IEEE CC[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccccc2C#N)CC1 1613074058 LFFXJSQEIATYQP-JPYJTQIMSA-N 442.564 2.361 30 10 IEEE COCC[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619806066 YZTBACUBUNKCEE-VEGAHXMMSA-N 442.564 2.400 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1O 1620299944 NZDGWAWZKHSIRU-APWZRJJASA-N 443.573 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)CC1 1622351897 OTEYYXMPWRVALR-MRXNPFEDSA-N 438.471 2.471 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1625227815 DVNDQVNJIHDZDN-UHFFFAOYSA-N 445.541 2.131 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCc2ccc(C#N)s2)cc1 1626826984 TYLPGSJHQWVBJQ-HNAYVOBHSA-N 433.555 2.183 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1627067901 IOLRALQJCPZGRB-ZJSXRUAMSA-N 440.544 2.110 30 10 IEEE COc1cccc([C@@]2(C)CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1629415806 MCMYXOWTUOVARL-QFIPXVFZSA-N 427.526 2.314 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4c(cccc4C(N)=O)C3)C2)C1 1630375752 JSARLIKVYVLWDG-COYMHYPVSA-N 438.528 2.457 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)s1 1630428252 WABHDQHTVZIULQ-UHFFFAOYSA-N 428.576 2.383 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)C1 1634555395 XCCFOJNWZJHHSW-IBGZPJMESA-N 433.574 2.087 30 10 IEEE CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1638464071 DUGGOWIVENQEMD-MRXNPFEDSA-N 438.550 2.036 30 10 IEEE C=CCC1(O)CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 1638656498 OXKXBEHIMJSVFJ-UHFFFAOYSA-N 438.454 2.289 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1639974067 VGGCUGIIUMZYBD-SFHVURJKSA-N 431.452 2.077 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC 1640924729 SQULKIRLOCQLEF-SFHVURJKSA-N 446.500 2.038 30 10 IEEE CCOC(=O)[C@@](C)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CC(C)C 1646223362 LHWSKXKGPFSWNX-OAQYLSRUSA-N 437.562 2.237 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)[C@@H]2CC2CCCCC2)CC1 1653926961 CYMLMRLKIIGIDC-PMACEKPBSA-N 443.617 2.228 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC1 1654023239 WLEHNKPVYGOGKW-UHFFFAOYSA-N 429.329 2.234 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 1663403535 IVFYWOMWWHISQX-UHFFFAOYSA-N 436.555 2.208 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1689861290 SFYAIOZALGKCLP-KRWDZBQOSA-N 440.573 2.191 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1689955598 NOIOTDUYNKGJGK-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1690048882 RMXZNYKBFLTAQP-INIZCTEOSA-N 432.496 2.045 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1690113943 YNPTYQOEUIGYJA-SBUREZEXSA-N 442.564 2.094 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1690125441 HDPIPUWCPYHCMD-UHFFFAOYSA-N 432.576 2.478 30 10 IEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 1690428336 NBAVDFKEOMKIAI-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1690515674 REWIWGZLFVKNPQ-HUUCEWRRSA-N 444.602 2.156 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1690563364 OUVLIXHSIQKWGR-GOTSBHOMSA-N 428.533 2.274 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690673138 PFMFTVZMXQJUAO-GAJHUEQPSA-N 443.523 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(CC)nn(C)c2OC)C1 1690699677 HVMMVWDQYOADGJ-SJORKVTESA-N 430.553 2.306 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1696529205 XNSSHTIJYQZDMC-XYSIDCHVSA-N 431.562 2.279 30 10 IEEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)C(F)(F)F 1697140730 YQXMHYHOXWMRFE-OAHLLOKOSA-N 428.459 2.498 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1697748075 FSFCJAWPMLRZBA-SJLPKXTDSA-N 426.521 2.103 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705565138 GQHQRHQONOEBLT-SFHVURJKSA-N 444.557 2.238 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1705570318 OQBIVRKTPDLLPG-SFHVURJKSA-N 427.555 2.000 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1705605190 DIKFEZCNRFAFJB-HSZRJFAPSA-N 438.532 2.333 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](OC)C(C)(C)C)CC1 1705642294 OFSSQIXFMUIOPP-SFHVURJKSA-N 444.605 2.086 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1705677194 FRBGEPOAYGIPOV-JOCHJYFZSA-N 445.589 2.405 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705691341 VQBFSKPUHQVUDJ-GJZGRUSLSA-N 444.374 2.091 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1705869104 MDMMLHGGZKVEKP-HSALFYBXSA-N 430.597 2.495 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705902190 ITUXGADGLVAMLS-JOCHJYFZSA-N 444.967 2.202 30 10 IEEE Cc1c(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)cnn1C 1707021415 BSQZXDKESRTIDW-AWEZNQCLSA-N 427.534 2.177 30 10 IEEE C#CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1722340934 NAZWAWKTCINAPT-UHFFFAOYSA-N 434.588 2.372 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722363798 VPVAXGXDLVQPCG-CVEARBPZSA-N 434.587 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1722381344 ONRFSKCHZACVGC-YADHBBJMSA-N 430.556 2.213 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1722700885 XZWDTZVLMRJLED-IBGZPJMESA-N 427.549 2.431 30 10 IEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1723083666 YWSVPSXSTLSLER-SJORKVTESA-N 426.521 2.284 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1740563508 SXTXQXSKZPSCSZ-ORYDKMOMSA-N 435.594 2.418 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740589896 CEDJLUIKVHWVGC-GJZGRUSLSA-N 434.484 2.141 30 10 IEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740613314 CCKRVNZOIGHBCO-OAQYLSRUSA-N 438.576 2.178 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCN(CC)CC1 1740635446 OIULWJBVGJQUFT-SFHVURJKSA-N 425.968 2.092 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCC(F)F 1740652415 YDKIEXOWXCMRFV-UHFFFAOYSA-N 425.443 2.229 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)OCCO3)CC1 1740702704 VZVLNIQPIVFQMY-UHFFFAOYSA-N 437.544 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CSCCS2)CC1 1740704089 HLYPLVKSRDFNIE-GOSISDBHSA-N 442.614 2.155 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740792782 LUWQSVDEIOHLOM-UHFFFAOYSA-N 426.569 2.310 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1740913718 GZFMWFHKBIOFKC-HXUWFJFHSA-N 441.532 2.190 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740941762 RYYYJBHRSBTXPW-OPYAIIAOSA-N 438.594 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ncc(Cl)n1C 1740953290 AQISOIIBORRUPF-UHFFFAOYSA-N 429.912 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)(C#N)CC1 1740988992 WKXUQQBBDMPLLH-UHFFFAOYSA-N 443.529 2.405 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCOCCS(C)(=O)=O 1741127931 LKEVBKSXLJCMFR-ZDUSSCGKSA-N 443.932 2.395 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1743380850 PWNOIJMXLUKHKF-ORAYPTAESA-N 449.353 2.326 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1748717789 IPBCNCFVYMOWAJ-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nc(C)cs1 1748887145 VOYXNFYYQMDIFG-UHFFFAOYSA-N 443.536 2.468 30 10 IEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@@H]2C1 1749024150 HAGPLHZIMACGDN-KRWDZBQOSA-N 449.527 2.434 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1749429754 NYQQFYIQQYOXFE-INIZCTEOSA-N 425.493 2.430 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)Cc1ncc(Cl)n1C 1749676766 CUXOAIXYIUYSBX-UHFFFAOYSA-N 427.940 2.389 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](COC)C1 1749688953 APERODMHRJUOKH-GOSISDBHSA-N 425.533 2.486 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749690503 SQQNMKLDNHIICP-ZHALLVOQSA-N 446.573 2.407 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1750546297 HTMASMCUBUCXSP-UHFFFAOYSA-N 440.548 2.194 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760115112 ZBHRSTAPMZMZMS-OVWQWFNUSA-N 430.553 2.361 30 10 IEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1760135424 VMCNDUUQXKFOIW-UHFFFAOYSA-N 447.543 2.147 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)SC 1760250199 XGXDEBFGWNZYDW-KRWDZBQOSA-N 429.594 2.290 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760412735 QETXZNYCNNDGAR-MRXNPFEDSA-N 425.599 2.292 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1760528993 STLSSGCHIMTPKM-VQTJNVASSA-N 441.532 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@](F)(C#N)C1 1760558588 UFNHHHAQEHZKTG-NRFANRHFSA-N 447.536 2.462 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1760695253 DPDZJEVZCLPNIX-NEPJUHHUSA-N 425.502 2.072 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccsc2)n1CC(C)(C)O 1763044542 QKNNLTXEBFJGKI-HNNXBMFYSA-N 438.561 2.078 30 10 IEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N)c1ccc(F)cc1 1768112496 FRTHYXSNAJVYHF-QILLFSRXSA-N 435.525 2.445 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1769912448 NEPBSENYFCDJQJ-VGSWGCGISA-N 442.495 2.319 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCc2ccncc2)cc1 1770738211 GQSQJLHGFDHBKE-FQEVSTJZSA-N 445.527 2.458 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CC1 1770753074 ANHGITNGCNGRIR-QGZVFWFLSA-N 425.468 2.137 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCOC(F)(F)F)c1 1771530162 CEHLOWWQMKNKGC-JKSUJKDBSA-N 434.422 2.458 30 10 IEEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)C[C@H]1CSc2nccc(=O)n21 1849516821 QBJYVLGCRSBQLV-NSHDSACASA-N 432.303 2.289 30 10 IEEE C#CCN(CC(C)(C)C(=O)NCc1c(C(F)(F)F)nn(C)c1N1CCOCC1)C(C)C 1852234610 GIUYPESHCSZYKM-UHFFFAOYSA-N 443.514 2.262 30 10 IEEE Cc1ccccc1OCC(=O)N1C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c2ccccc21 1857049059 FKAJESHATGNRNO-MRXNPFEDSA-N 427.482 2.243 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc3scnc3c2)C1)[C@@H]1CCN(C)C1=O 1857055286 BPHZLKLKZQBGEO-MAUKXSAKSA-N 426.542 2.394 30 10 IEEE N#Cc1cccc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4CCCS4)C3)CC2)n1 1857116567 JXADQDKBIIBVRK-PKOBYXMFSA-N 428.558 2.315 30 10 IEEE N#CCC1CCN([C@@H]2CCCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1857197064 HTYHASFUBIIDPP-GOSISDBHSA-N 430.940 2.100 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@@H]1CCN(C)C1=O 1857225467 FIKGCQDNLSHILD-VQIMIIECSA-N 428.920 2.113 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(SC)cc2)C1)[C@@H]1CCN(C)C1=O 1857240349 NEZJPWQGNZEPGZ-UYAOXDASSA-N 429.586 2.435 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cn(CC)c(C(=O)O)cc3=O)cc21 1857888222 IOYFYUPVQBEKGI-ZDUSSCGKSA-N 426.425 2.128 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](C(=O)Nc3ccccc3C#N)C2)cc1S(=O)(=O)N(C)C 1858375323 XQLVSNMEDSZZTJ-SFHVURJKSA-N 440.525 2.218 30 10 IEEE CCOc1ccc(-n2nc(C(=O)Nc3oc(C)c(C(=O)OC)c3C#N)c(O)cc2=O)cc1 1859648065 XPVAISSEYCRVKL-UHFFFAOYSA-N 438.396 2.149 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1OC 1862633493 LNJXSTZPCOMNRC-LJQANCHMSA-N 427.409 2.003 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)cc2)cc1F 1862639374 WZRABBKGABVDTA-IBGZPJMESA-N 428.416 2.254 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCOCC2)=C(N)Oc2c1c(CCC)nn2C 1865223832 FZGAZWBRBFRNGN-IBGZPJMESA-N 438.528 2.491 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2)CC1=O 1872917433 BCXBIKUFXBCNRR-VQIMIIECSA-N 443.544 2.154 30 10 IEEE COc1cc(Br)cc(/C=N/Nc2cnn(C)c(=O)c2Br)c1O 1873529213 SHVZVDGUSOUVGG-FZSIALSZSA-N 432.072 2.466 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@H](C)CC 1873840971 KLKLYIKYHIZOMX-UZLBHIALSA-N 425.533 2.352 30 10 IEEE COCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874502460 IUCJDXUMSOPLJD-UBKPWBPPSA-N 445.295 2.049 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1889309829 GTCRQUCIUWJKRE-VXKWHMMOSA-N 426.586 2.413 30 10 IEEE Cn1ncc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1CNC(=O)OC(C)(C)C 2060826712 XCPHSTJHKYSHRR-GOSISDBHSA-N 438.532 2.295 30 10 IEEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1Br)C(=O)O)C(=O)OC(C)(C)C 2237397165 YRXJSXZDMMENEQ-HNNXBMFYSA-N 439.306 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@H]2C1 2255377684 QIAMGMNWHLTQIE-HOTGVXAUSA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255658462 DNLOOCMMGDQSTC-OKILXGFUSA-N 449.382 2.381 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255703376 RIFNASPJMKEXST-NWDGAFQWSA-N 430.232 2.108 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255820365 OXXCKXNPTYHVJI-CQSZACIVSA-N 436.362 2.095 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2256675245 PSLDEIQGLCEHRH-AWEZNQCLSA-N 436.362 2.380 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)o2)OC1(C)C 2256925007 QVVPXLIFUJKIML-INIZCTEOSA-N 429.278 2.369 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@H](O)C1(C)C 2258956478 FHZIAGXIHSCNHF-OYHNWAKOSA-N 436.358 2.182 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267010915 XMMYQLJBBCQRKS-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267179240 NHHTVKGFMNFHRE-XMMPIXPASA-N 440.349 2.288 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267179519 RCKMSAPOHLRJME-AWEZNQCLSA-N 448.373 2.187 30 10 IEEE CCn1cc(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267179769 UYDWBRIQPPJWMX-UHFFFAOYSA-N 448.373 2.235 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267482959 LHJMSMNDGJMIBJ-UONOGXRCSA-N 449.332 2.411 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)n1 2267502386 MUOSLIUHCRTBNC-DEOSSOPVSA-N 438.381 2.361 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267514536 APUNHMMRFHYTIB-HOTGVXAUSA-N 448.373 2.237 30 10 IEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267520093 KHFYUWZQBREDIN-GOEBONIOSA-N 448.373 2.474 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268672582 UDJSFUXZSJQOPO-SFHVURJKSA-N 446.353 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268721746 PPALGYBOXACKNP-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE Cc1sc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(C#N)c1C 2270513435 FWKMTIDPDGGMJF-OAHLLOKOSA-N 437.499 2.358 30 10 IEEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271383976 DCPRGKZEBFSNGY-CABCVRRESA-N 446.357 2.294 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H](Oc3ccccc3)C[C@H]2C(=O)N2CCCC2)cc1 2297645254 IZZNYGOXEBOMIS-CTNGQTDRSA-N 425.510 2.391 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2302952404 SELGVONIMBTQRK-PMACEKPBSA-N 449.617 2.310 30 10 IEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2303242849 UVWLXTIHVBUZGJ-HXUWFJFHSA-N 430.549 2.233 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2337269553 ALKOBOCQQBUERO-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE COc1[nH]c(=NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788438 PHRLLTJECMKHIU-CYBMUJFWSA-N 443.275 2.024 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 27560228 WNKHBRFGYQKAFP-MRXNPFEDSA-N 429.590 2.135 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccccc2F)cc1 102701560 RKSGQGZYWUZBMR-AGGMBTAESA-N 439.487 2.161 30 10 IEEE COc1ccc(S(=O)(=O)Oc2ccc(C=NNC(N)=S)cc2Br)cc1 254384895 ZNRRJRBJXVXONR-UHFFFAOYSA-N 444.332 2.393 30 10 IEEE CCOC(=O)c1csc(C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 429589233 IRCXCWDFKVPPDM-LJQANCHMSA-N 447.605 2.192 30 10 IEEE Cc1nn(C)c(C)c1[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 429595622 UYPBTMCRVZKDDC-QGZVFWFLSA-N 428.436 2.243 30 10 IEEE CCOC(=O)c1csc(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)n1 433368803 YBCQDBIHCPAMPH-UHFFFAOYSA-N 444.332 2.475 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1-c1ccccc1C 440381473 QJZOADPYRXJJOK-UHFFFAOYSA-N 445.544 2.159 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2C[C@H]2CCCO2)cc1 462427478 LXOATGSCMPMMKC-LJQANCHMSA-N 445.500 2.248 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2C[C@H]2CCCO2)cc1 462431559 WSUICNMBCDWQIQ-QGZVFWFLSA-N 437.546 2.240 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccnc(C#N)c2)c1 483058743 QHCKYAPXLQSMGN-UHFFFAOYSA-N 443.529 2.073 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 497636638 HWYLQHMLKVGNIA-HXUWFJFHSA-N 427.892 2.077 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 511427951 LSCUGWVCQCLQPI-UHFFFAOYSA-N 434.412 2.491 30 10 IEEE COc1cc(CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc(OC)c1 513786704 LXIGHZMVPFEYSK-UHFFFAOYSA-N 429.542 2.167 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 522109392 QSWLHXXTJNPWRO-UHFFFAOYSA-N 432.492 2.487 30 10 IEEE Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1-c1ccccc1 537096904 QPETZRJBUNPDRV-UHFFFAOYSA-N 435.509 2.105 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 553143509 MYVUALVROLZLHY-NSHDSACASA-N 445.335 2.180 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCCO2)CC1 559183991 XWNDZXZTEJQPPQ-HXUWFJFHSA-N 438.576 2.247 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 561078238 HKYOFRKIGNQZTO-ZWKOTPCHSA-N 439.482 2.246 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc1 564251648 QITMBKFMTUDZJQ-UHFFFAOYSA-N 442.585 2.088 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc2cccnc12 572146468 VLHYYIZUAPICOW-CQSZACIVSA-N 445.360 2.361 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(OCCOc3ccccc3)nc2)c(F)c1 585721748 LFLYZLQXEFLOCQ-UHFFFAOYSA-N 448.454 2.483 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc4c(cc3Cl)OCO4)N2N1 588225521 RVDQRRZEBHKUAH-SFHVURJKSA-N 426.885 2.131 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 603799574 SSVBVLRYUAHDPA-SFHVURJKSA-N 449.507 2.370 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 604301989 SWZNNMFDOCMSEB-HNNXBMFYSA-N 441.438 2.404 30 10 IEEE CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 619815337 YHNUVPWEZKETDI-UHFFFAOYSA-N 440.529 2.059 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(CC)c(=O)cc2C1 669817448 MDYCYFGCURPRJH-UHFFFAOYSA-N 433.516 2.473 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C#N 726578089 UQCDOCGVALOADL-CQSZACIVSA-N 445.548 2.239 30 10 IEEE COc1cccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)n1 730143167 RJRFXNMFNSKWMT-SFHVURJKSA-N 441.557 2.290 30 10 IEEE C#CCN(C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 732062492 RVCPPNBBAWEKMK-OAQYLSRUSA-N 445.585 2.291 30 10 IEEE COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCCCC1 732649911 CRYUKALACXWPJA-IBGZPJMESA-N 446.573 2.072 30 10 IEEE O=C(NC[C@@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1)Nc1cccc(F)c1 735855841 AGGPIVZZSLCWBD-ANNUQZOISA-N 443.479 2.102 30 10 IEEE COC(=O)[C@H](OC(=O)CSc1nnc(C2CCCCC2)n1N)c1ccc(C#N)cc1 740194002 NZPYBBHCFCAQMS-QGZVFWFLSA-N 429.502 2.461 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O)c1ccc(C#N)cc1 740211700 VMUPIOKWYAITDD-FPULEUEGSA-N 441.484 2.452 30 10 IEEE CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 749081916 FHLUHHHPMWWZCM-SPKFJCJXSA-N 439.560 2.365 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H]1COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757266509 BZKQRKAJOZTUIH-FGZHOGPDSA-N 448.475 2.087 30 10 IEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 777193154 HCBUIJUIVJJTBK-UHFFFAOYSA-N 429.521 2.018 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1c(C)nn(C)c1-n1cccn1 778474487 DNXFOELZZDAZTL-MRXNPFEDSA-N 436.472 2.415 30 10 IEEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(-c4cccc(C)c4)c3=O)n2)c1 781134667 DBRNLGWXIHBDBQ-UHFFFAOYSA-N 438.516 2.432 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 781599701 ZWUSKEJXXZTWSP-OAHLLOKOSA-N 447.463 2.123 30 10 IEEE Cc1c(O)cc(O)c(C=NNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O 782127057 BBJGQXMTCLNOMI-UHFFFAOYSA-N 427.486 2.230 30 10 IEEE CCOC(=O)C1=C(C(C)=O)[C@H](c2c(Br)cnn2C)NC(=O)N1CC1CC1 783925244 UCDXKGRYZSRYJO-CYBMUJFWSA-N 425.283 2.065 30 10 IEEE CO[C@H](CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 787463183 HPOHZCSEIWJBGU-DZGCQCFKSA-N 435.468 2.223 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790233770 ARAPUZKRRSSAAR-XMMPIXPASA-N 448.608 2.489 30 10 IEEE C=CC[C@]1(C(=O)NS(=O)(=O)c2cnn(CC(F)F)c2)CCCN1C(=O)OC(C)(C)C 791891069 WQKKXDZNYXBHHG-GOSISDBHSA-N 448.492 2.299 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCO2)cc1OC 802689279 MUVZYIGBQUZIFU-OALUTQOASA-N 438.532 2.318 30 10 IEEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCO[C@@H]3c3cnn(-c4ccccc4F)c3)nc12 803920479 CIGGFBITHHIMFI-OXJNMPFZSA-N 448.414 2.452 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 805783213 UPUNZSNXIHSCBY-QFIPXVFZSA-N 425.554 2.478 30 10 IEEE C#CC[C@@]1(C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)CCCN1C(=O)OC(C)(C)C 809671257 XGBWSYVTHNCHFT-RDPSFJRHSA-N 432.609 2.408 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 812179101 JHLPCQOBVZNBHC-DLBZAZTESA-N 437.541 2.014 30 10 IEEE COC(=O)c1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc2[nH]ccc12 813864915 IGXHOIAQOAPEGY-LBPRGKRZSA-N 440.481 2.410 30 10 IEEE CN1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H](c2cnn(C)c2)C1 849515633 FGDHGJKGOGGQQG-FCHUYYIVSA-N 434.544 2.204 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)c1 1084597056 CEWFHOLLLMKOHZ-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE C#C[C@H](NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)[C@H]1CCCO1 1138446319 IORSOKXUPHCNAJ-MELADBBJSA-N 439.463 2.308 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2cccc3cccnc23)c1 1143114097 STFKGUWNEMVXGB-UHFFFAOYSA-N 426.429 2.040 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)s1 1147534145 ABCOKIZVRYKWTM-UHFFFAOYSA-N 440.982 2.393 30 10 IEEE COc1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1OC 1178591339 MWATYIMZIMQREO-CYBMUJFWSA-N 431.514 2.146 30 10 IEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCc2c(CC#N)cccc2C1 1196624028 XTLQPLLRIZBKCS-INIZCTEOSA-N 426.542 2.388 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c(C#N)cn1CC 1206508215 AUQZIXDZRYSMEG-HNNXBMFYSA-N 431.880 2.428 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)nn1 1213353461 FFUITDAKJWMVIN-LJQANCHMSA-N 433.534 2.075 30 10 IEEE CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1253797795 KTXZQCHCHHEWRU-CSMHCCOUSA-N 427.292 2.207 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2cccnc2OCCOC)c1 1286308532 JIWQUUWNORGOCM-UHFFFAOYSA-N 434.500 2.111 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1286369587 TUUNMGAPGQNJHB-UHFFFAOYSA-N 435.532 2.051 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(C(C)=O)CC1 1286463003 DQYGZCYXIWBTNJ-UHFFFAOYSA-N 430.940 2.338 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C)C1CC1 1286734472 ABVSCGQDGNICBI-UHFFFAOYSA-N 431.562 2.372 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1286748405 UROPZEPYSHXRJF-OAHLLOKOSA-N 432.575 2.367 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 1286767566 ATCIELQPTBHPHV-NQIIRXRSSA-N 438.576 2.315 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1286833245 XSGKAZGWHXBPIU-IRXDYDNUSA-N 428.624 2.352 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)CCO1 1286943283 ZVIPMSNHZNLVDT-FQEVSTJZSA-N 436.541 2.462 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1288516665 CPILWIKXTGQJFA-BEFAXECRSA-N 434.548 2.271 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2c(I)n[nH]c2C)c1OC 1293084062 MCQGFINMCCOIGB-SNVBAGLBSA-N 426.214 2.335 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1294180446 JAPSSRCYZFEXTE-UHFFFAOYSA-N 432.473 2.235 30 10 IEEE CCN(CC1CCC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1295711316 HKFKYCPBGOFWBS-QURGRASLSA-N 435.532 2.417 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)C2=O)cc1 1296292154 CTRDLTSAEKRGDN-SFTDATJTSA-N 431.496 2.326 30 10 IEEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCCC1 1298041489 DAZZQEOUPBCYIZ-IBGZPJMESA-N 442.589 2.314 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 1300408533 AIPFPXLJLLIWSS-HOTGVXAUSA-N 437.591 2.283 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300497362 YKEDXXZJXJFNRH-FUHWJXTLSA-N 434.949 2.110 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1300532305 RCNUUHTXDUCEBQ-HSZRJFAPSA-N 447.568 2.104 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1300586704 JFWYRCIBLXXQAJ-QFIPXVFZSA-N 433.604 2.000 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCCc1cnn(C)n1 1300654944 LORIEVPOLGKALJ-UHFFFAOYSA-N 430.516 2.341 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1300990410 KKLFKPDJPIDENB-IRXDYDNUSA-N 428.624 2.495 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1301000709 XMFHRKNMKMGHAF-UHFFFAOYSA-N 432.500 2.050 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)C1 1301538709 KGKTYEVKQXCDEW-CHWSQXEVSA-N 439.504 2.258 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301606037 HXAQCDBTDVHOFC-KRWDZBQOSA-N 427.578 2.397 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1302419048 LOIFDCHMTNYHQY-SFHVURJKSA-N 437.924 2.131 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1303464488 JGYWDOHIFKWDHI-UHFFFAOYSA-N 425.581 2.362 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1305116637 FRMYJACITPQQPJ-KRWDZBQOSA-N 438.532 2.212 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2ccccc2C#N)CC1 1313123265 SVYBYUJSGAQVJR-UHFFFAOYSA-N 431.537 2.321 30 10 IEEE CCN1CCN(c2ccc(Cn3c([C@H]4CCCO4)nnc3N(C)C[C@@H](C)C#N)cn2)CC1 1313934412 QPSYDRXGXYWVGS-AZUAARDMSA-N 438.580 2.311 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1315813288 BTMKQXSGMQYASX-MSOLQXFVSA-N 426.496 2.296 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)C1 1315917081 FLLCUBQZZPNNHY-INIZCTEOSA-N 425.518 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1358870990 YBKJYUMFWHDVLB-INIZCTEOSA-N 445.483 2.388 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1358906483 JALASCHYJDZLKH-UHFFFAOYSA-N 443.573 2.244 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccs1)N1CCOCC1 1358954778 VZSPNSXUUYWSMG-NSHGMRRFSA-N 445.589 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358981061 USJWHJPLPDGQDS-HXUWFJFHSA-N 441.539 2.005 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCC)CC1 1359041858 KVPNZBRODCFEDI-XMMPIXPASA-N 434.544 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1359045181 ZABUJIXTCPRDPM-TZIWHRDSSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359054998 PKDZPNUHAILAQJ-UHFFFAOYSA-N 444.568 2.295 30 10 IEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1359194672 ZORWLHHZIBYHGC-NZSAHSFTSA-N 433.578 2.473 30 10 IEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359225182 PWEYTYYYAQUBDR-UHFFFAOYSA-N 433.578 2.318 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359297412 PKNVPPBSLWMRMD-QQMNAOGKSA-N 441.532 2.029 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359298177 PUOCGGWPUXMPQB-SFHVURJKSA-N 441.923 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccccc1 1359326690 HYOLHDFRXAWEJB-UHFFFAOYSA-N 431.562 2.141 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1n1cccn1 1436288422 IQGIIOHWUHTYPB-OTWHNJEPSA-N 445.545 2.002 30 10 IEEE CC[C@](C)(COc1ncccc1Cl)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1446501476 FBNVAQMQAULZRJ-LJQANCHMSA-N 436.921 2.249 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 1469419351 KTTOYFSAWZOSJR-UHFFFAOYSA-N 449.573 2.099 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CCCC2)cc1 1472491913 COAFIPCETGLJCI-UHFFFAOYSA-N 436.556 2.333 30 10 IEEE Cc1cscc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1492653777 GVVKUUFLFAIYNC-UHFFFAOYSA-N 430.559 2.220 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(F)(F)Br 1499146264 VBQVNDMCWBNUSL-UHFFFAOYSA-N 426.269 2.421 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H](OC)C(F)(F)F 1505071951 HQSAZJXQUGFIPD-AYMQEEERSA-N 435.422 2.411 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507594194 ZRCVYDCUCOKOHG-UHFFFAOYSA-N 436.541 2.418 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1507653505 QVZPSGRJIPCBKU-LJQANCHMSA-N 440.617 2.054 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCc1nc(C)no1 1507710683 JLHIJSGNQNCRDK-LJQANCHMSA-N 438.488 2.201 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507942645 RTFRVENARSNPDZ-HXUWFJFHSA-N 429.521 2.270 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1)C1CC1 1507994210 YEYFULNANUJURF-AWEZNQCLSA-N 433.509 2.113 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1508042093 YVMPNZFCRFSAKD-INIZCTEOSA-N 444.502 2.142 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1508087119 BDKFVSBAAXWKEP-WOJBJXKFSA-N 427.549 2.343 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1515078290 HLSUNFBWCBMZET-NRFANRHFSA-N 425.468 2.087 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@](C)(C#N)C1 1516836322 QXOIGWWTDIDJIW-OAQYLSRUSA-N 446.577 2.413 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1519516725 HRQGYQIULLJMAQ-XLIONFOSSA-N 433.509 2.164 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1521759087 GWMWMXAWVMUJDJ-MOPGFXCFSA-N 444.532 2.488 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccccc1 1526565218 KBQHAIJZHAVFHR-IRXDYDNUSA-N 430.482 2.100 30 10 IEEE COC(=O)[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[C@H](OC)C1 1527246645 JFZMWGZODKJVDH-LUKYLMHMSA-N 425.526 2.437 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCCOC1 1534008802 OYJJMOJMDNFQBA-SFHVURJKSA-N 425.279 2.176 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1538977932 YNVNDIDTHACBCT-SBUREZEXSA-N 439.516 2.393 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539211803 PFEJTUUKOXZBSA-MBOZVWFJSA-N 444.557 2.005 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539226461 YTHANIBXLZZTGQ-IBGZPJMESA-N 427.574 2.327 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1540121802 NTKOSDBWKGLOJM-GOSISDBHSA-N 435.532 2.066 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CCOC)C1 1540892576 OEXVCDYEZGSDJK-IRXDYDNUSA-N 426.583 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C 1540903292 CGMAPPXXNOSLFS-UHFFFAOYSA-N 446.552 2.287 30 10 IEEE CC(C)Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1541442641 YAFLASNHUOUPAK-UHFFFAOYSA-N 426.521 2.065 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCc2nnc3n2CCCCC3)n1 1543011309 FMEJRUHNSBKXGZ-INIZCTEOSA-N 436.568 2.296 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1552922404 NXYFDCYJEYLFFV-UFVMTTLYSA-N 449.540 2.285 30 10 IEEE C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1557243794 XZAIYYSNPDPOGJ-FFZOFVMBSA-N 430.549 2.459 30 10 IEEE COc1ccccc1-c1ccnc(C2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)n1 1564724237 RXNLVKOUJZPLFW-UHFFFAOYSA-N 432.488 2.205 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1568787662 MDHZGDJRERBIEW-HSALFYBXSA-N 446.569 2.319 30 10 IEEE COCCCn1cc(C)c(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1569279735 KNHRSDKEKSALAP-KRWDZBQOSA-N 447.561 2.320 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(Cc3ccccc3)CC2)s1 1587598955 BXKXCQGDCXOPJR-UHFFFAOYSA-N 433.599 2.489 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1587673459 OIUMMPYPAQLRIQ-DLBZAZTESA-N 445.951 2.463 30 10 IEEE CCOc1ccc(NC(=O)CN2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)cc1 1588047763 HJGQXFAMADUQBI-UHFFFAOYSA-N 427.892 2.402 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nccs2)CC1 1588923475 AOFHSVXWGZTQOG-UHFFFAOYSA-N 435.557 2.314 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1593740985 HXYBFNOVJBUNJR-SFHVURJKSA-N 444.511 2.404 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)N(C)C)CC1 1594083135 GPKSVZULJKCCLL-UHFFFAOYSA-N 435.532 2.310 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1595239527 LZKGXHUWENXYFC-JJCDCTGGSA-N 427.574 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595516221 BOHIQZZYTMNZAD-WZONZLPQSA-N 425.533 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595760927 VBQHBMRRLGXVJB-UHFFFAOYSA-N 437.610 2.231 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)N(C)[C@H]1C 1614400943 JDAYEHRXAGSBCP-HKYLEAMTSA-N 441.575 2.211 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC)CC1 1615047068 KANPROSBKDZULU-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1616005209 KQWDMXFIAMIPIF-LJQANCHMSA-N 440.552 2.341 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1616210807 YBDWRKZQAAOICO-IBGZPJMESA-N 449.596 2.120 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1617969271 GUBWUKQUJYDWJE-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1sc(C)nc1C 1619909695 GRKFFIFJDXFPMN-UHFFFAOYSA-N 440.533 2.414 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCc2cc(C(F)(F)F)ccn2)c1 1620348794 HFXDMKKPBYWBRS-UHFFFAOYSA-N 441.417 2.409 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1 1626234707 FDBUSZSLJAPYAS-KRWDZBQOSA-N 441.557 2.281 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H](c1ccc(F)cc1)c1ncc[nH]1 1628204237 OQAXZMJUPXPEGX-AUUYWEPGSA-N 441.488 2.335 30 10 IEEE N#Cc1ccc(C2(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CCCC2)cc1 1630391447 WJBBLHIHYVZORW-UHFFFAOYSA-N 430.508 2.258 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 1631231755 RIZKXNHEHSRHRL-FXAWDEMLSA-N 444.532 2.069 30 10 IEEE C=CCN(C(=O)c1cc(S(=O)(=O)CC)cnc1O)[C@H](Cc1ccccc1)C(=O)OCC 1632981319 ZXUZGUQFOUVBGY-LJQANCHMSA-N 446.525 2.383 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(C#N)c3Br)C2=O)cc1 1634860230 ITYNZLLNGYSAPB-IBGZPJMESA-N 443.257 2.441 30 10 IEEE CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)c3cccc(C#CCO)c3)ccc21 1636164153 DJQKNIDDQSLNGN-UHFFFAOYSA-N 428.391 2.284 30 10 IEEE C=CCc1cc(C(=O)N2[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]2C)cc(OC)c1OC 1638590191 DTNMWKQGQNSVQG-CZUORRHYSA-N 436.530 2.015 30 10 IEEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(C)(C)CN1CCOCC1 1638972973 DUMFIVFIJQKWSP-UHFFFAOYSA-N 435.366 2.326 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1648355738 XXQDXDMDFGJUAJ-JLZZUVOBSA-N 437.493 2.393 30 10 IEEE COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1660292043 BQMWARNNUDQASY-UHFFFAOYSA-N 430.368 2.488 30 10 IEEE C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CC1 1671706830 MSNSEAQNLZZASC-QGZVFWFLSA-N 446.548 2.157 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C1)C2 1683590620 RKEVUWMZLGNIMJ-VQTJNVASSA-N 442.516 2.317 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)cc1 1685244221 LYBNXVWKWLYDCN-UHFFFAOYSA-N 446.555 2.292 30 10 IEEE O=C(NCc1cccc(S(=O)(=O)C(F)(F)F)c1)NC[C@@H](O)C(F)(F)C(F)(F)F 1685750919 UMXUHLDNPWQQSQ-SECBINFHSA-N 444.300 2.338 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1689964279 JUKYYBBSPDNAIL-OKZBNKHCSA-N 433.553 2.002 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980221 OGNLUHBXBSHWEE-LJQANCHMSA-N 430.574 2.419 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689996175 DPDWQIYIIWZWLB-RBUKOAKNSA-N 428.558 2.171 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cnc2ccccc21 1690003429 NFVOLOANYPGKQB-XMMPIXPASA-N 432.528 2.441 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1oc2ccccc2c1OC 1690092663 QJSXTIUDAMWCNZ-UHFFFAOYSA-N 437.500 2.403 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N(C)C1CC1 1690098641 PORUJCGZCDHEJO-KRWDZBQOSA-N 425.533 2.285 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCS(=O)(=O)C1 1690108438 YWUPUWKQHIKZSZ-GOSISDBHSA-N 448.614 2.400 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1690252801 IZFKKBYYSTYXFR-QINHECLXSA-N 429.496 2.289 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1)c1ccccc1 1690322452 FZHUWWGQDQMBNR-SFTDATJTSA-N 438.576 2.490 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1690528245 YMNUKCHMFPHGFU-MJGOQNOKSA-N 433.578 2.427 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690622420 PFDHXSWUYQNTFR-HZPDHXFCSA-N 436.557 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1scnc1C 1690729183 IIBDVGLLXIFDRZ-UHFFFAOYSA-N 449.606 2.142 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(C(C)(C)O)c1 1694736536 WGDZLXUFVZEQFU-UHFFFAOYSA-N 448.575 2.356 30 10 IEEE CCOCc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C#N)o1 1696359385 XPTBTFZJEOGQGC-QKKBWIMNSA-N 428.493 2.431 30 10 IEEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)C(F)(F)F 1697140729 YQXMHYHOXWMRFE-HNNXBMFYSA-N 428.459 2.498 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705508599 YRELHWUSYBKGEA-UHFFFAOYSA-N 441.605 2.405 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705512819 PNSUFWMJAPVNIM-MRXNPFEDSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1705586801 XCTWCYOCPHPXDC-JOCHJYFZSA-N 433.556 2.403 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2CC(C)(C)C2)n1 1705631426 DOWYZLQGQYSOCQ-LJQANCHMSA-N 439.564 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCSC2)CC1 1705648949 FDWBANZXIBPQPP-KRWDZBQOSA-N 426.590 2.393 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705946262 CWBJCRLKHIQBLB-UHFFFAOYSA-N 429.594 2.216 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@H]1CCOC1 1706115663 WGRBKGONRHQKFP-IBGZPJMESA-N 439.564 2.364 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H](C3CC3)N(C)C)CC2)c1C#N 1707807598 GMLWNRGHVVFECJ-FQEVSTJZSA-N 439.612 2.057 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCSCC1 1712913005 QOCMPYHRPDCDLE-FBMGVBCBSA-N 445.936 2.073 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722301914 DOIKVHGPVXNJDE-IAGOWNOFSA-N 432.546 2.148 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCCSC)c1 1722309219 LIATVZLEGJRNCF-SFHVURJKSA-N 440.573 2.429 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722367482 WJTWTTMUSOTMNR-IEBWSBKVSA-N 446.548 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(CCC)C1 1722383343 OFJGNCCRUVZCHP-NRFANRHFSA-N 446.603 2.257 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1722399996 HOMYHLKQONWJDQ-IFMALSPDSA-N 447.587 2.466 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1722404862 DXFSMNSCHACSFQ-MRXNPFEDSA-N 431.924 2.390 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 1722696470 OXMJNLZFDRYPOT-UHFFFAOYSA-N 426.418 2.071 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)C1 1722719292 SKMVEIGLPGSMHL-GUDVDZBRSA-N 438.594 2.311 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1723792504 WZHJQJMYQJVNQT-NVXWUHKLSA-N 432.550 2.167 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1724004804 OFAWSKLCPUQQTK-RCCFBDPRSA-N 445.495 2.482 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC(C)C)CC1 1730480753 MOMMGGONKQRSRD-HXUWFJFHSA-N 430.528 2.348 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CCO1 1730585443 BCDUNVHUNKKJGN-CTNGQTDRSA-N 441.532 2.112 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3noc(C(C)C)n3)C2)nnc1[C@]1(OCC)CCOC1 1740597593 VZXYMBHNSKXHSW-JTSKRJEESA-N 444.536 2.428 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740623080 NQSHVBJURLYLGN-VQTJNVASSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740626259 WDIWERCEBGQEEB-SIKLNZKXSA-N 434.606 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(C2CC2)C1 1740657952 DGHGSAVKXNXSJM-SFHVURJKSA-N 436.585 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC1(CS(C)(=O)=O)CC1 1740659010 SPGOZZRSLGLIGF-UHFFFAOYSA-N 440.569 2.453 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(C)CN(C)C1=O 1740682056 IZFPIHDLTWMYDN-FQEVSTJZSA-N 446.349 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCSCCCO)CC1 1740704215 LYPDHHOUFUSERR-UHFFFAOYSA-N 427.574 2.027 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740714645 FTEFVOAIRVUWLJ-FQEVSTJZSA-N 437.573 2.425 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1741132936 LKWWECBXKNWHEY-MSVBSMQLSA-N 437.479 2.130 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1748698461 VYLMLMXLGWKOKG-UHFFFAOYSA-N 440.573 2.342 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1748992666 DSLFDESXDSTKNV-UHFFFAOYSA-N 433.535 2.273 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749210691 MRPQCYNPQMLEFO-HTAPYJJXSA-N 435.569 2.173 30 10 IEEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749390311 CIKWNPRUWABHMJ-UXHICEINSA-N 436.560 2.323 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@@](=O)C(C)(C)C)C1 1749721793 UFPBUERIBIOMMC-SMQZVNPMSA-N 440.610 2.331 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(Cl)nc1 1750028823 QKFUUMZHUAEFDR-MAUKXSAKSA-N 445.955 2.275 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCCCCO)CC2)nc1 1750383994 JMDPBKNSFZTNMT-LJQANCHMSA-N 425.537 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1760099419 GQEZQCNORUFZPB-AOMKIAJQSA-N 429.521 2.237 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760190272 VDJLCDUYXDKVCI-FXAWDEMLSA-N 438.557 2.109 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)cc1OC 1760212504 WIJJAZIJGNBPDJ-XMMPIXPASA-N 438.528 2.459 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1OCCN(C)C 1760217321 YFSFNBZKAJEMBR-UHFFFAOYSA-N 429.528 2.187 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1760260804 BUELUYDHQPMFKT-UHFFFAOYSA-N 427.549 2.306 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760355508 MVTLQSHIOAAJIH-OAHLLOKOSA-N 427.475 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 1760514814 GALVAECCGPLMQB-LJQANCHMSA-N 446.353 2.478 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760569417 OAORJPCBQGGDFJ-KBPBESRZSA-N 449.558 2.303 30 10 IEEE CCC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1763889774 SDJBADALQNBYMP-YQVWRLOYSA-N 440.552 2.321 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N 1767843335 FMYOXBAWMPEMPW-SNVBAGLBSA-N 447.384 2.057 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CC1 1771111946 BESQYXZWWYIPIZ-FZEVHQGJSA-N 445.545 2.068 30 10 IEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)CC1 1772793245 VQHIBWJOLICHLF-UHFFFAOYSA-N 428.466 2.475 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)[C@@H]1c1cccc(F)c1 1851837273 VNJNNQDWYCTBSD-DOMZBBRYSA-N 435.399 2.216 30 10 IEEE N#Cc1cccc(C(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)c1F 1852319050 SBSMWOPGAKVGIS-INIZCTEOSA-N 430.457 2.319 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC[C@H](Cn4nccn4)C3)C2=O)c1 1855216037 PDUXREZSOAHXJG-QFBILLFUSA-N 426.908 2.151 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CSCCO 1870209131 IHESWCISTYAUKR-UHFFFAOYSA-N 432.498 2.064 30 10 IEEE CCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCn1ccnc1 1870350454 HDHFJTAEHXMNSY-UHFFFAOYSA-N 435.528 2.400 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)cc1 1874292534 ISKRAGCFAAXSMB-LSHDLFTRSA-N 441.469 2.024 30 10 IEEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCN(CC)CC)ncnc21 1875229119 PKWFVQAUTOTSPF-UHFFFAOYSA-N 432.569 2.106 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)cc21 1891283672 BKJDAGUJXJLJGO-UHFFFAOYSA-N 426.429 2.483 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891327577 RNRYSCVCBRRWCN-CABCVRRESA-N 440.529 2.135 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)nc12 1891916530 HHDUKXGIMUJFCN-CQSZACIVSA-N 438.513 2.473 30 10 IEEE CC(C)(C#CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2082796098 PRISGYUZFWEOBP-UHFFFAOYSA-N 430.314 2.021 30 10 IEEE C=CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(Br)c1=O 2172905575 UXXFRBGIWIKRGF-JSGCOSHPSA-N 443.342 2.222 30 10 IEEE C#CCN(CC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O)C(=O)OC(C)(C)C 2237387971 HNXCJBAGODVLSA-OAHLLOKOSA-N 439.306 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@H]2C1 2254810141 TXGIDNBPVLKTKB-IRXDYDNUSA-N 431.342 2.205 30 10 IEEE CCn1cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255654076 RLXBHOBXYAEEDS-UHFFFAOYSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256928900 XEHWJDTVWZDAOR-CZUORRHYSA-N 438.305 2.438 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2257587134 JIZUMOSGTJPLBF-AWEZNQCLSA-N 439.337 2.232 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267015320 MLAIFKAPLSHULM-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267139581 IIGGKAYVLCZFRK-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@H]1NC(=O)OC(C)(C)C 2267142092 PIHVCVWLFJEPQZ-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267265187 BMNYUEDQRQDKEQ-ZWKOTPCHSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCOCC1 2267293977 YDBYEHYYNJUFJT-UHFFFAOYSA-N 449.357 2.118 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267507432 NYGATDWTAAZFAK-CABCVRRESA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267521411 RSDICWJTYHVSRJ-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2267524330 OKBCWPYPGNWVML-CQSZACIVSA-N 446.357 2.228 30 10 IEEE Cn1nc(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267538676 WHIYDFGSLHUTNC-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE Cc1ccnc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2269068301 FVYUGTRJUZTYHW-KRWDZBQOSA-N 440.305 2.089 30 10 IEEE Cc1ccc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2282114755 IEJVRMSSANXWRX-JOCHJYFZSA-N 449.404 2.498 30 10 IEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1 2296612504 VYVSYGUCFFQLNG-LJQANCHMSA-N 444.557 2.242 30 10 IEEE CCOC(=O)C1=C(C)NC(=Cc2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C1=O 2297340991 ZQHLKNPSWWRHIF-UHFFFAOYSA-N 430.482 2.417 30 10 IEEE N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4ccnc4)CC[C@]3(CO)C2)cc1C(F)(F)F 2297649228 SQXOYTVHJGSSGV-OXQOHEQNSA-N 433.434 2.121 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2301743991 VKHIAMRYVIDXFC-AWEZNQCLSA-N 425.310 2.472 30 10 IEEE CCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 2314426258 SISSNNUMBXDYJT-UHFFFAOYSA-N 445.614 2.411 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)C(=O)O 2317251754 NBLYMOKKBNMTNY-MRXNPFEDSA-N 432.282 2.214 30 10 IEEE Cc1nnc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C#N)c1C 24053159 GQBMUJCMRAPLJU-UHFFFAOYSA-N 425.436 2.495 30 10 IEEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)c2ccccc21 33268689 LLFRTZOLBXXCHW-LJQANCHMSA-N 432.524 2.395 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](/C=C/c2ccccc2)[C@H](C#N)C(=O)N3)CC1 72444741 MIMYDKOQUHYPRI-NUQYTELCSA-N 447.495 2.438 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1nc(C(=O)OCC)cs1 409826882 RBMLPCSWJVNGQN-RNODOKPDSA-N 434.518 2.340 30 10 IEEE Cn1cc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(C(F)(F)F)n1 447229582 GMHVNWCWWGTNNZ-UHFFFAOYSA-N 436.394 2.150 30 10 IEEE Cc1cc([C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCO2)ccc1F 486155328 VBVJYVRWHBUNRK-QRWLVFNGSA-N 431.489 2.273 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 489231029 KWXSFHYLZOLIHE-OAQYLSRUSA-N 433.468 2.006 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)CCO2)c1 513674891 LZWGOWXGYDKHBE-FPOVZHCZSA-N 440.525 2.104 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CSc3nnnn3CC(F)(F)F)CC2)cc1 525945996 WEFDLHUMAPUXHO-UHFFFAOYSA-N 426.424 2.269 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)n2)c(Cl)c1 543034927 YUSVBMSYXZKKPO-QGZVFWFLSA-N 448.870 2.258 30 10 IEEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CC2)n1 545392280 OJSOXIWUMLGZNC-UHFFFAOYSA-N 433.497 2.068 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)CC2)n1 546904490 UJXJQEGBLOCYHA-GOSISDBHSA-N 443.511 2.031 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1Br 549239383 ZIBPADYKIUMFJT-BBRMVZONSA-N 429.336 2.167 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 559010016 VBLKDKXWJDVLSA-APWZRJJASA-N 431.562 2.296 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2C[C@H]2CCCCO2)cc1 559172369 DGDCJCOMUQJAKX-HXUWFJFHSA-N 435.532 2.380 30 10 IEEE N#Cc1ccc(OC2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCOC3)CC2)cc1 559226795 ZOWXYWRNGRWMKN-WIYYLYMNSA-N 439.516 2.322 30 10 IEEE Cc1cccnc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCOC1 559231028 HUGHEGQBMQYPPW-GOSISDBHSA-N 430.516 2.278 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(CCc4ccco4)n3C[C@H]3CCCO3)CC2)nc1 619852919 MARSJMLDYVEGMC-HXUWFJFHSA-N 433.516 2.429 30 10 IEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(c3nnc4ccccn34)CC2)C1=O 725766795 YOFIFIIHKWRPEM-QHCPKHFHSA-N 429.484 2.205 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 727417866 RBFNWBKIDRQHAT-UHFFFAOYSA-N 438.896 2.046 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669750 AXDLNFQYYOOXBL-UHFFFAOYSA-N 438.553 2.102 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(COC3CCOCC3)c2)cc1 732178513 OYQMPEZIOMRYDI-UHFFFAOYSA-N 442.537 2.224 30 10 IEEE C[C@H](c1ccccc1Cl)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732466599 PPFLKOCWCLMMBG-FZFLATATSA-N 431.924 2.255 30 10 IEEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ncc(Cl)cc1Cl 741340774 HEEGVMXURMRRFY-NDRUXHAASA-N 427.244 2.175 30 10 IEEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1C#N 746988957 CFXSXQHKYMQOMN-GOSISDBHSA-N 430.482 2.381 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 747971622 QEOQYXWJROSGFA-VOMLJKFNSA-N 434.440 2.030 30 10 IEEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)cc1 751923735 UTMAPPAMICIMLG-OAHLLOKOSA-N 428.505 2.350 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCCC1 757180715 ROQGCXLZCNFCGQ-UHFFFAOYSA-N 432.542 2.263 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(C(C)C)s2)c1=O 758583358 DGUDCTCLJODXGZ-UHFFFAOYSA-N 431.583 2.398 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2c(F)cccc2Br)cc1 771855363 IVAZFXQLPWDBPT-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE C[C@H](NCCOc1ccc(C#N)cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 773022441 CKJQDVRZPKVIGD-HNNXBMFYSA-N 437.543 2.013 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 777320418 YXQDWCSVLAFULQ-MRXNPFEDSA-N 437.518 2.088 30 10 IEEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2ccc(C#N)c(Cl)c2)cc1 778692789 GAYCTJLHQYRHNL-UHFFFAOYSA-N 431.861 2.038 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c(C)c1 782621498 URXRRXSGRHSCFX-UHFFFAOYSA-N 440.326 2.039 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CC[C@@H](OC)C(F)(F)F)C1=O 786688139 NWZUIUAZLWCVHM-VXGBXAGGSA-N 434.440 2.125 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(I)ccc2O)n1 790103927 BCFSVQDDGCJLPJ-UHFFFAOYSA-N 439.253 2.115 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc23)n1 790106078 PPGQRWPCIPPDCV-IBGZPJMESA-N 438.557 2.473 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(OC)n3)c2=O)c1 790426537 VGLGGSRGBHPGKY-UHFFFAOYSA-N 441.512 2.156 30 10 IEEE COc1ccc(COC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1C#N 797515231 OPZWBRZOTHGRKX-NRFANRHFSA-N 430.482 2.065 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)n1 801785857 LBVKDRHFQCKKPQ-UHFFFAOYSA-N 425.489 2.080 30 10 IEEE C#CCC(CC#C)C(=O)NCc1ccccc1N1CCN(C(=O)C(CC#C)CC#C)CC1 806855339 HXWZKRNWBDNHCL-UHFFFAOYSA-N 427.548 2.277 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N1Cc1cnnn1C 807928781 CCWCSROIGZULMP-AWEZNQCLSA-N 440.451 2.324 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1C[C@H]1CCCS(=O)(=O)C1 807930446 SJNYWHDTQVHAOI-QAPCUYQASA-N 449.598 2.420 30 10 IEEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 812751974 QEMNGKOERDTLLE-GOSISDBHSA-N 432.473 2.146 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(C#N)cc1Cl)CCO2 814397682 LKPXIMOIXQEHGS-UHFFFAOYSA-N 427.910 2.222 30 10 IEEE COCCNS(=O)(=O)c1ccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 917273055 FSJHHDZBTPTPAA-UHFFFAOYSA-N 442.497 2.105 30 10 IEEE CC(C)(C)OC(=O)CC1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCOCC1 1141857967 UZJABTZDKMMWDJ-UHFFFAOYSA-N 440.493 2.134 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ccc(O)cc2C1 1148626784 CPNMOGFRKPFCJF-GOSISDBHSA-N 443.525 2.267 30 10 IEEE Cn1cc([C@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 1197809257 RHLUZPGPPIVUJT-GOSISDBHSA-N 435.937 2.136 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)c1 1221459176 GQSOMNDLWWDAED-QHCPKHFHSA-N 443.617 2.030 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nccn1C(F)F 1286463752 LQAZSZYQJLOAFK-UHFFFAOYSA-N 430.415 2.400 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(O)CCOCC1 1286741420 GXMYGGXGTBMHOX-UHFFFAOYSA-N 433.516 2.284 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286784201 AVEFLMDNPSLSGK-HSZRJFAPSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286785974 LEVLAMQUVHHLBQ-OAQYLSRUSA-N 438.576 2.094 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1286789556 HULQRVRJVHNSGD-PMACEKPBSA-N 439.560 2.237 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2)C1 1286810183 YWLYSSDDSSPYDS-MSOLQXFVSA-N 441.532 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H](C)C1 1286814347 QBVWAEXQIWCFRY-JKSUJKDBSA-N 432.550 2.009 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1291388799 CUQVRUSPTHWRJG-IIBYNOLFSA-N 433.578 2.485 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 1292236446 MRBXZZOJDNMVBN-UHFFFAOYSA-N 441.509 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(C)(=O)=O 1300290096 MBJBELKOFLLBAN-GFCCVEGCSA-N 441.351 2.219 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1300478873 DTWAMYNFZNUCAD-QGZVFWFLSA-N 435.594 2.013 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1300503389 CIWABLBUQNSHSZ-QZTJIDSGSA-N 444.557 2.008 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC12CCOCC2 1300652981 GSXGXKWNDVLGPP-AUSIDOKSSA-N 432.565 2.221 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300754583 SRXOQANMLROCNA-UHFFFAOYSA-N 427.578 2.290 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300997473 VZFAIXPEOHHBMS-HXUWFJFHSA-N 431.581 2.431 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@H]1C 1301399542 PRPJKKCXRLCDSG-CYFREDJKSA-N 439.560 2.289 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 1301520746 NMCPMJVPOLONOZ-UYAOXDASSA-N 433.597 2.488 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(COC)CCOCC2)C1 1301555473 AADRUYPOWZNTAG-HXUWFJFHSA-N 427.549 2.488 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1301607101 IYVGDOPVLXSGFX-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1301615363 MLHRESLIAUDFPV-UHFFFAOYSA-N 439.589 2.398 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312612699 PWEBZSYULQLKGL-ZACQAIPSSA-N 437.537 2.019 30 10 IEEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C#N)c1 1314556985 NXDHZRZHVBLAGB-UHFFFAOYSA-N 444.586 2.378 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1 1314860778 QLYFPTQOINPOHD-NRFANRHFSA-N 447.561 2.169 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1316096915 SPTFKEJOOXSSTH-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)c1c(C)noc1C 1316297267 JBGZINKMDPKDCQ-UHEFJODHSA-N 430.509 2.139 30 10 IEEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1316537569 DKBRZBQWSBNGSN-IBGZPJMESA-N 429.546 2.279 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359144769 SVFHQMVLPMUELM-UHFFFAOYSA-N 440.913 2.078 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359145031 CJMWHXQUUVLYMC-UHFFFAOYSA-N 425.880 2.090 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1359183589 OVCIZFWFWJSRLG-HNNXBMFYSA-N 443.614 2.326 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC)C1CC1 1359247471 CWFNLUJIQRMMKA-UHFFFAOYSA-N 443.371 2.130 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359304896 NAGXYVSPNPYGGH-MSOLQXFVSA-N 441.532 2.173 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)OC(C)(C)C)C1 1359312491 VWARURSUBUULQQ-MRXNPFEDSA-N 436.557 2.112 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1359554125 ACFKWJYVWLWTJQ-QVKFZJNVSA-N 447.515 2.071 30 10 IEEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cccc(C#N)c3Br)cn2)C[C@@H](C)O1 1435204670 HHDFAFMDDZTKML-CHWSQXEVSA-N 446.305 2.405 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CCN3CCO[C@H]2C3)n(-c2ccc(F)cc2)c1C 1460145694 RHSJJBNPHSNUCR-SFTDATJTSA-N 425.508 2.448 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1465076872 SPKLGYASOCOYBK-FUHWJXTLSA-N 433.530 2.280 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)cc1 1475974158 RZDNCFSYUHJWJK-HXUWFJFHSA-N 433.534 2.054 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3ccc(COc4ccc(F)cc4)cc3)C2)c(=O)nc1O 1478878895 VEBILHIGRLSPHR-UHFFFAOYSA-N 449.442 2.305 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507630986 KLFANFRCPPIAIE-PKOBYXMFSA-N 443.573 2.090 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2cc(C)ccc12)[C@H]1CCS(=O)(=O)C1 1507634511 NWQTUEXWGUHNAL-SFHVURJKSA-N 425.558 2.500 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cc1 1507671672 NZVIHFJUHDKNAP-QGZVFWFLSA-N 446.960 2.376 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507711463 CNJKKZHYFLLSKQ-NZQKXSOJSA-N 425.533 2.078 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC=C 1507763746 CVUIDPCBFQSJCK-HSZRJFAPSA-N 439.516 2.265 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1507764401 LZVKIWSVOMWDGO-HRAATJIYSA-N 431.562 2.327 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507953926 JQASYQKZZQGNSV-VXKWHMMOSA-N 446.640 2.370 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)on2)C1 1508131961 PUUCIRMPUSJTOK-INIZCTEOSA-N 428.518 2.396 30 10 IEEE CCOC1CC(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)(N2CCOCC2)C1 1516367182 HIEZBVJBUDVWCI-CQBQZOKZSA-N 446.596 2.180 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCSCC1 1521423167 KTBKBVWJGVKKSS-VXPUYCOJSA-N 442.520 2.088 30 10 IEEE CN1CC(=O)Nc2cc(C(=O)Nc3ccc(C#N)cc3I)cnc21 1538267782 OEEUQNXHEVQWFZ-UHFFFAOYSA-N 433.209 2.198 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1Cl 1539260601 QTXOCXMPHWEPFM-UHFFFAOYSA-N 438.875 2.206 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1539379314 OBWBHTONPFMZRN-HNNXBMFYSA-N 430.306 2.198 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539506078 QEGJRUPQHXFNHL-QGZVFWFLSA-N 433.603 2.138 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnc3n2CCCCC3)C1 1540091958 CYCKXYNLTYSPMX-UHFFFAOYSA-N 429.322 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1540904883 OZISCOWCOXJJEW-ICSRJNTNSA-N 445.589 2.464 30 10 IEEE CC(C)CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1541589038 KZCCNZZDHFILPT-PBHICJAKSA-N 432.591 2.110 30 10 IEEE CC(C)OCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1541752344 XAISTWSZMHMZFF-INIZCTEOSA-N 432.550 2.204 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1541803039 BPEFZQAMWUSIAZ-LVCYWYKZSA-N 434.610 2.466 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1542679262 VIDISFVGOADGBY-ZDUSSCGKSA-N 425.482 2.110 30 10 IEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)COC)CC2 1548377614 RQZUAIMSMLQFHZ-KRWDZBQOSA-N 438.450 2.014 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1555556422 FJBMVFSXITUNBQ-UHFFFAOYSA-N 429.488 2.336 30 10 IEEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1557059380 YCJRDDTWZZACNS-LBPRGKRZSA-N 441.904 2.493 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1569818524 RWJSOVIVCWASIL-INIZCTEOSA-N 426.477 2.005 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1 1570678215 VREMEGZGMDDIAT-BVSLBCMMSA-N 426.538 2.425 30 10 IEEE C#Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 1583841340 RIZBNLRNWPSDJH-SFHVURJKSA-N 427.482 2.293 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(C)=O)CC1 1587856303 JHTGLYXVUCRWHI-UHFFFAOYSA-N 444.580 2.475 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1587878959 LTRSKMORGJLZHH-NHCUHLMSSA-N 425.581 2.100 30 10 IEEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)COc1ccc(C#N)c(Br)c1 1588248581 OFLUHYFJEZSWQC-GOSISDBHSA-N 425.279 2.270 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595127788 YWLNTVFWDQSCIV-NRFANRHFSA-N 445.520 2.155 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@H]1C 1595234317 OTROKOGNRHEFOR-FDDCHVKYSA-N 427.549 2.191 30 10 IEEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595603147 YVEQPHALMMGPMB-XZOQPEGZSA-N 449.596 2.262 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1596978675 PTJDTQDMRKMJCG-IRXDYDNUSA-N 435.546 2.261 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc43)ccc2c1=O 1611369491 UPAXHMPMUBIMOU-AWEZNQCLSA-N 441.534 2.172 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1613035049 NGDLOTWQWLCXDU-JKSUJKDBSA-N 449.602 2.208 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C[C@@H]1C 1615857682 QBXBSTGXFNAXKO-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE N#C[C@]1(NC(=O)Cn2nc(Br)c(Br)n2)CCc2ccccc2C1 1616666102 RFMQHBJGYUQEMS-HNNXBMFYSA-N 439.111 2.371 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(F)(F)F 1617369801 PWYHMZZWBMHBIU-UHFFFAOYSA-N 430.456 2.145 30 10 IEEE N#Cc1cc(Cl)c(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c(Cl)c1 1617555385 BZKJXPITPOLABN-UHFFFAOYSA-N 425.301 2.113 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1622506673 VITKMMVKIDYUQE-INIZCTEOSA-N 433.571 2.050 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)C1CCOCC1 1624861524 FWYQLJLAQDBSPS-INIZCTEOSA-N 436.354 2.146 30 10 IEEE COCCN(CCC#N)C(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1628006319 QSKFEHQZXWPGBT-SFHVURJKSA-N 430.505 2.467 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 1629730370 WSPJDTSBXIRYOU-UXPWSPDFSA-N 439.537 2.266 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1Cc2nc(C)nc(O)c2C1 1630892013 AMSBUSRQTDAQAF-UHFFFAOYSA-N 433.262 2.445 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCN(Cc2ccccc2)c2ccccn2)c1 1634029471 VCHYBEXAUZEVLD-UHFFFAOYSA-N 448.548 2.430 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CCO2 1638368028 HJNUUFFHYHCOSG-KQVJYAISSA-N 428.533 2.132 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)n1 1639992322 VARNDYRKZFDSCI-IBGZPJMESA-N 438.297 2.301 30 10 IEEE CC1(C)OB(C2CCN(C(=O)CSc3nnnn3CC(F)(F)F)CC2)OC1(C)C 1643827279 DVDWHWBWCHDQLY-UHFFFAOYSA-N 435.281 2.412 30 10 IEEE COc1ccc(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 1644432699 QCIRCNCJUZBUMZ-HNNXBMFYSA-N 428.514 2.035 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2nc(C)cc(O)n2)C1 1645364028 ZCBSRKFESORLKU-KBPBESRZSA-N 425.917 2.221 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)Cc2ccccc21 1681225949 ACEWESHESTUCME-KBAYOESNSA-N 428.489 2.227 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1681994726 GTIPCHUAMUBNKE-WRSAYESZSA-N 443.356 2.152 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CO1 1684464054 JXGZOOBNLJGYPP-LJQANCHMSA-N 429.521 2.326 30 10 IEEE C#CCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941607 RRPFQRBEBOLTNB-NZQKXSOJSA-N 442.564 2.142 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCN1CCOC(C)(C)C1 1690095432 QAXQAZXVNFGULB-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1690150261 AUCZLHCWXLLMGW-PXNSSMCTSA-N 441.601 2.447 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690411192 HKSVHVJKGBXOLQ-GOSISDBHSA-N 431.562 2.075 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690510912 JISINZRHQFQKFK-FQEVSTJZSA-N 427.549 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1690723858 CDCLWFDUIDKAOK-HKUYNNGSSA-N 448.593 2.368 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCNC(=O)Cc1cccc(F)c1 1691005844 GKZIEFDDXPTKRM-KRWDZBQOSA-N 435.507 2.358 30 10 IEEE CC(C)Cc1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692157311 GHQBCFDFBMLOAM-QURGRASLSA-N 442.564 2.398 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1=O 1692423505 GAILWCBEFAZIPB-UHFFFAOYSA-N 432.532 2.098 30 10 IEEE CCN(CC)CCOCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695665289 RZACFKVUZLSSFW-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@H]1C 1695810547 PMSBIVGLTLXRHG-RTBURBONSA-N 425.581 2.314 30 10 IEEE COCCn1c(COc2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698070156 WMTHYQAIJWWHQM-UHFFFAOYSA-N 436.472 2.047 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1=O 1698074184 BSAHEVBJMHVICD-AYBZRNKSSA-N 426.496 2.106 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCOCC2)C1 1698482546 DDWBQEVLRWTDRD-OAQYLSRUSA-N 443.483 2.408 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705535252 GFTFAPMYYWFIGE-UHFFFAOYSA-N 433.553 2.187 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1705601732 UHMUBZJBGXECMB-IBGZPJMESA-N 426.542 2.063 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705613555 JNFXQZSZQNWGKI-LJQANCHMSA-N 425.533 2.147 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCCC1 1705624818 QCMKZANLWLNENR-SFHVURJKSA-N 425.533 2.492 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)CC1 1705640347 NZDIWKDIAIIVNX-QFIPXVFZSA-N 431.968 2.065 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCC[C@H](C)C2)CC1 1705642730 FUQQFCQWZWBUQC-FQEVSTJZSA-N 440.567 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2c(C)nn(C)c2C)CC1 1705647151 ACMIIXPIDIJVCY-UHFFFAOYSA-N 425.581 2.231 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1705709031 KDXTZYFBBVLIRI-DWLFOUALSA-N 434.500 2.439 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705725963 CCQSCCXKZQFXEX-CQSZACIVSA-N 442.474 2.255 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705748560 SJRYXTKXGRUTSH-KRWDZBQOSA-N 444.923 2.473 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1705826529 DQABDRLTPMMZMR-UHFFFAOYSA-N 444.536 2.016 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705831368 ORLAAUAFDWOXFU-ROUUACIJSA-N 430.578 2.474 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1)C1CC1 1705849625 RJMYCWQOEYMMGC-LJQANCHMSA-N 439.564 2.437 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1705866857 BODPCASOFGTDAZ-LJQANCHMSA-N 432.594 2.207 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC(C)(C)O1 1708175385 FBRSRUIXNLQKKK-NVXWUHKLSA-N 429.546 2.255 30 10 IEEE CCN1CCC(CCn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1710225109 OBVWFFVVSLXJCW-LJQANCHMSA-N 429.594 2.485 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(CC)ns2)CC1 1722338306 MXYQDCQMKHHHHH-UHFFFAOYSA-N 439.593 2.294 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC(C)C 1722349276 ZKORVEZYDKKSMM-UHFFFAOYSA-N 440.367 2.105 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1csc(C(C)C)n1 1722419255 VHEGMPBVDKHJNV-UHFFFAOYSA-N 430.578 2.423 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CCC)OC)CC1 1722449788 ZKIPONUZKNGCRL-LJQANCHMSA-N 444.605 2.415 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722463568 GPKRXMXUAYKAOX-UHFFFAOYSA-N 433.500 2.076 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722550697 NSFAXPPEZYHUFY-INIZCTEOSA-N 444.971 2.057 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722626576 GASBIJTWQDFQOC-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCOCC1 1722662293 HEVWYJKGANHOEI-UHFFFAOYSA-N 441.561 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722694734 GGEKBGZXEXYLMQ-DLBZAZTESA-N 442.564 2.183 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(O)cc1 1722702445 NYVLMJGCVNQYGZ-FQEVSTJZSA-N 435.532 2.489 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1722703228 XJDPWTGZKZEEFG-UHFFFAOYSA-N 449.559 2.096 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1722705464 DDNXCUWOBVBQLT-UHFFFAOYSA-N 448.527 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722729773 WXFDUQYINAMEET-KRWDZBQOSA-N 426.489 2.297 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722736735 GHQRQXIXFTUAMA-JKSUJKDBSA-N 432.550 2.085 30 10 IEEE Cc1ccccc1-c1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1724572450 QTMJOEFMWWKGCD-SLNYWTKHSA-N 436.516 2.395 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncnn2C(C)(C)C)cs1 1725345599 RKHGYZPXIOHTAP-LJQANCHMSA-N 429.529 2.471 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1727924585 AGLPPXPDJFCPDP-MJGOQNOKSA-N 440.548 2.159 30 10 IEEE CCOCc1nnc(N(C)[C@H]2CCc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1728975032 NKCPMTVXRBJLIU-ZREAOVPFSA-N 436.516 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1740533561 CJUXYHYERODHAR-HKUYNNGSSA-N 425.533 2.352 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1740556880 KCXXSOWZQVEAKV-HNNXBMFYSA-N 439.969 2.296 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740615978 PDTDNYSJYVCKFP-MRXNPFEDSA-N 434.537 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1740644244 YIBYUHVPPASSCI-HSZRJFAPSA-N 434.569 2.239 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1740674396 FJEXJTOSZWNEIL-UHFFFAOYSA-N 431.924 2.219 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2c(C)nn(Cc3ccccc3)c2C)CC1 1740700069 DVMATXLFQAWGOF-UHFFFAOYSA-N 447.587 2.480 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740719911 UIFRXFRYGCUJLG-NRFANRHFSA-N 429.521 2.405 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740875736 JATKSXIVDYVNCM-GOSISDBHSA-N 448.593 2.073 30 10 IEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1740902621 SSEMVLKXVOKOAR-UHFFFAOYSA-N 432.575 2.212 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 1740942256 IUQWIRCYXIJCHU-UHFFFAOYSA-N 439.607 2.097 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1741127419 BILIPEPETXCYJG-CQSZACIVSA-N 437.953 2.134 30 10 IEEE CC(C)(C)OCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1741239272 ZTEXXKIMJMZEFO-FQEVSTJZSA-N 449.556 2.495 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746285657 YIBWFVOJIDMUBM-DPPKGPFUSA-N 428.537 2.467 30 10 IEEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1747599051 HAWKXPBIIIUINX-QHCPKHFHSA-N 437.548 2.437 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1747767514 HEZBLDQAAHDJNG-UHFFFAOYSA-N 434.548 2.297 30 10 IEEE COc1ccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1748682937 IUSVRJKXGZLDBE-ZZEZOPTASA-N 440.529 2.033 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1748887693 FQBUFSQZIFODSS-UHFFFAOYSA-N 445.527 2.362 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1748940295 HGDNJTRVYAZXII-KDURUIRLSA-N 446.596 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccccc2C)CC1 1749020153 NAQDWXQVEMZPKC-OAQYLSRUSA-N 437.544 2.483 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749028682 GGYKWFOETIJQKW-FQEVSTJZSA-N 436.585 2.342 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CSC 1749103547 BDXRBYGAMUPFEI-CHWSQXEVSA-N 435.413 2.421 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749218498 PKWVZQPWTKSSRT-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE COCC(=O)NC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1749261185 IBMISMRITNCAJA-UHFFFAOYSA-N 448.527 2.308 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1749520108 ZFMBZRANTMWCFQ-KKSFZXQISA-N 434.562 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@@H](F)C1 1749734241 GYQQSMOSMKVMNB-RVKKMQEKSA-N 436.509 2.186 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOc2ccccc21 1749821674 DWNIHGAYTFDPIE-GOSISDBHSA-N 438.532 2.447 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1750009539 VJNFLMNIQXOLFN-XLIONFOSSA-N 428.537 2.040 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccc(O)cc1 1750026192 FVAVFXQCJMVSMT-PXNSSMCTSA-N 440.548 2.127 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](c4nccs4)C3)n2CCOCCCO)cc1 1750382859 LIMORKUTHRXZGL-GOSISDBHSA-N 440.529 2.250 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(C)CCCO1 1750971366 BKZUVRZESOVJIF-XXBNENTESA-N 438.532 2.435 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CCOC 1760171700 HBDIYWBAPPWYLP-UHFFFAOYSA-N 434.585 2.040 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1760318309 FMDIKFVBGSAFPU-PMACEKPBSA-N 435.532 2.259 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1)C1CC1 1760469251 AINPGCVIGUNXPV-UHFFFAOYSA-N 441.532 2.366 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1760516699 SZBBGGVGAQOZOZ-ZWKOTPCHSA-N 440.548 2.004 30 10 IEEE CC(C)OCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1761306395 DUZPJEVIXXZTNU-UHFFFAOYSA-N 449.563 2.477 30 10 IEEE Cc1ncsc1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1761614816 XBJCQNUCOIHUSZ-OXQOHEQNSA-N 432.550 2.055 30 10 IEEE Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1761761994 XIJOYWONUAECBI-LZICOFPGSA-N 440.504 2.377 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)CCO1 1770746616 IDSBNXVNHBNZBO-QGZVFWFLSA-N 435.937 2.152 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@H]1OC 1771110065 KTTYXJYSDGFZGH-DLBZAZTESA-N 434.928 2.411 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1772564305 RTWACGAHNUZQBW-OWSLCNJRSA-N 433.553 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)ON3C(=O)c4ccccc4C3=O)nn2)C1 1772789136 QCHFUVLZABTFLO-CYBMUJFWSA-N 441.444 2.218 30 10 IEEE Cc1ccccc1-n1cnnc1CN1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3C)CC1 1851683862 VLAXVEJCWGORBT-UHFFFAOYSA-N 440.511 2.292 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCCC3)cc1C 1856373533 AOPUFQPPUQMEDG-UHFFFAOYSA-N 433.530 2.370 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnn1CC 1857019587 ALLRETZSJDCAOQ-MRXNPFEDSA-N 428.514 2.362 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@@H]1CCCN(C)C1 1862005359 ZQVIJOSTHHRDNK-IFMALSPDSA-N 427.545 2.182 30 10 IEEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1863337042 VLIRNPUBHBLCJW-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE CCN1CCN(C(=O)[C@@](C)(CC)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868796814 XMYILJGSXPHAER-AUSIDOKSSA-N 445.633 2.474 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCC(N(C)C)CC1 1870502334 GKEYWNTVWNBSRZ-UHFFFAOYSA-N 431.562 2.034 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)Cc2ccccc2)cn1C[C@@H](C)O 1870508117 MBBYIFXUFVIAKL-HXUWFJFHSA-N 439.556 2.441 30 10 IEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683657 ZPKUHHGOLGOXOQ-UHFFFAOYSA-N 438.523 2.301 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891143747 OSQMZGLWBJDROE-IAGOWNOFSA-N 425.514 2.173 30 10 IEEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)cc12 1891653701 PISUGVLYWUTUKF-INIZCTEOSA-N 426.502 2.023 30 10 IEEE C#CC[C@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(=O)O 2010078259 UEAPBBCUJAOLSS-MBSDFSHPSA-N 430.501 2.423 30 10 IEEE N#CC1(CS(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CCCCC1 2174786039 FZSTVEKIFKNQPE-IBGZPJMESA-N 435.546 2.417 30 10 IEEE Cc1cnc(ON2C[C@H](NC(=O)OC(C)(C)C)CC2=O)c(B2OC(C)(C)C(C)(C)O2)c1 2224127524 KHOXTZVERNBGNF-CQSZACIVSA-N 433.314 2.109 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2CN(Cc3ccccc3)C2)OC1(C)C 2247953410 TXZHLWGTYVXWKN-UHFFFAOYSA-N 448.419 2.458 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255648505 CSIOPHSLHXNAGO-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1ccnc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828195 CGNVXFKJIBBSRZ-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255840018 HAAPDIQPSMBBQN-KBPBESRZSA-N 449.382 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2264618928 SHCNUGXQVLMSPU-HZPDHXFCSA-N 447.341 2.080 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267135551 DPSYLVAZXMZCIS-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267140701 SHZFQQWRCNIUMO-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 2267143920 PGIGCHKNFAHGAP-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2267234203 SBQSEZOFABRVSV-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267492760 VLVFMUHVLIWZDF-HOCLYGCPSA-N 448.373 2.143 30 10 IEEE CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267496189 WBCKZJSFUMAROO-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502485 OKCQKIOSXXKLHG-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267510480 LRUSLKGDSRIEAO-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267524551 RKCPWPOTOGALBJ-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE Cc1nc(NC(=O)[C@H]2C=C[C@H](NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268653780 RDRVUVGKZOJBRK-GJZGRUSLSA-N 444.341 2.492 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCOC1 2268708642 DJOOPYNZYBFHHI-RHSMWYFYSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)(C1)C2 2268802037 YXNZUGWASMCLFN-HZCBDIJESA-N 445.325 2.146 30 10 IEEE CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNS(=O)(=O)/C=C\c1ccccc1 33497065 KDTRMMAWEMVWCU-HJWRWDBZSA-N 449.510 2.012 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccn(CCC#N)n1 433233371 OOWMCSVWDXCHDI-GFCCVEGCSA-N 425.308 2.608 30 10 IEEE COc1ccc(-n2cc(CNC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)nn2)cc1 446262301 KVTYRYIEGPCECH-UHFFFAOYSA-N 439.497 2.283 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cn1 461287428 BOOAFBHCRSXMIR-IBGZPJMESA-N 436.497 2.321 30 10 IEEE Cc1nc(C2(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCCCCC2)no1 480673417 QPRMJDIHKFGSJU-CQSZACIVSA-N 431.518 2.282 30 10 IEEE N#Cc1ccc(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cn1 481602986 XBNUWEONCYPQHX-INIZCTEOSA-N 449.330 2.299 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 514492032 KUBKLTAKJROEOD-INIZCTEOSA-N 436.489 2.076 30 10 IEEE CSCC[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 546876710 ILMKCILXOWZQSF-IBGZPJMESA-N 449.536 2.020 30 10 IEEE COc1cc(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)ccc1C#N 555073061 PMKAORMTYKOJQC-UHFFFAOYSA-N 430.258 2.371 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)/C=C/c1ccccc1)N1C(=O)c2ccccc2C1=O 585831845 YXUJGHRPFQCCHL-IVCRTMBGSA-N 431.492 2.048 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c2C)nn1 603592553 YEHCLMOQVLIRGX-UHFFFAOYSA-N 448.487 2.069 30 10 IEEE N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CCN1C1CC1 732696563 JBQXBJPXPWHIDZ-SFHVURJKSA-N 444.561 2.141 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(c3nccc(OC)n3)CC2)ccc1OC 733655922 FIKGPQNVKFLWOY-KRWDZBQOSA-N 440.504 2.207 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 733894587 CYVHXQRXDCVQIR-AYAKEVCGSA-N 439.447 2.498 30 10 IEEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 743735543 IPJSTOOBTVGMCA-RTBURBONSA-N 448.589 2.264 30 10 IEEE N#CCc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749291573 HYVRDRSWCALJFC-INIZCTEOSA-N 433.511 2.149 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 749519536 QWXBOEGRYGDGJF-RDJZCZTQSA-N 449.573 2.474 30 10 IEEE C[C@@H](C#N)CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C1CC1 754175326 OQIUMUMJEQQGLF-BUXKBTBVSA-N 433.306 2.367 30 10 IEEE COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470400 HVSJCRUDLICUKA-NRFANRHFSA-N 436.464 2.134 30 10 IEEE O=C(O)C#CCNC(=O)CSCCNC(=O)OCC1c2ccccc2-c2ccccc21 757486820 RELVTFPDFYYCAQ-UHFFFAOYSA-N 438.505 2.463 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(=O)[nH]c21 757575815 IHCJKUBNTAKXOQ-KGVXHEBISA-N 440.504 2.194 30 10 IEEE CCOc1ccccc1N1C[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1=O 760402878 AAZBPEDDBKYPTA-INIZCTEOSA-N 433.530 2.358 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cncc(C(=O)OC)c1 769002848 CXRMVUDOTGNSCM-INIZCTEOSA-N 430.486 2.104 30 10 IEEE C#CCN(C(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 774057056 AIJAFAJGFRRFIO-SFHVURJKSA-N 448.520 2.454 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C)cc(Br)cc2Cl)CC1 778261359 FJKPZQBXHHARQU-UHFFFAOYSA-N 426.742 2.308 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1=O 785555307 QAVMSOSOUPFIMK-NTKDMRAZSA-N 432.480 2.446 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)n1 790106173 VCFPYMZBGLTHHM-UHFFFAOYSA-N 443.301 2.409 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2(C(=O)OCC)CCOCC2)nc1C 796277366 GMNGWUCECWEFSZ-UHFFFAOYSA-N 437.547 2.483 30 10 IEEE COc1cc(C#N)ccc1OCCOC(=O)c1cccnc1S(=O)(=O)C(F)(F)F 805430587 PGVISNXUKNSFPJ-UHFFFAOYSA-N 430.360 2.491 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 807743568 ONJVFHKTUSBJIA-HKUYNNGSSA-N 428.533 2.479 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)c1ccc(F)cc1 812526944 FYBINOPWHAWLPK-INIZCTEOSA-N 426.491 2.249 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3c[nH]nc3C)C(=O)[C@]12C 1075946434 GDBFEJRROKTPNE-UUFSLDAJSA-N 437.452 2.390 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@H]3CCCO3)C(=O)[C@]12C 1075950150 LUQKZWLXWNRWMZ-DRXIKNJRSA-N 427.453 2.337 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCc3nnc(C(C)(C)C)o3)n2N)cc1 1084413589 YRXBAIALWBQGQO-UHFFFAOYSA-N 430.494 2.197 30 10 IEEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1F 1084524520 DOIHHWTVDWZUQP-UHFFFAOYSA-N 448.415 2.355 30 10 IEEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 1124239809 AIFPSODWYWZDMQ-RAOBZKRQSA-N 432.498 2.285 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1134422429 HQHVVNPGGHCPRU-BZUAXINKSA-N 440.541 2.324 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)s1 1136589266 FIJLILRRMZVTQT-UHFFFAOYSA-N 439.534 2.369 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)c1cnn(CCC#N)c1C 1140828591 NSVOEFHKUAUEES-AWEZNQCLSA-N 435.322 2.457 30 10 IEEE CS(=O)(=O)CC1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1 1142295722 BRIMGANRZLADDW-UHFFFAOYSA-N 440.363 2.088 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1144422371 KBMYFXGZQJUAED-FQEVSTJZSA-N 427.545 2.453 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1154555412 ATNXONFPSGSKMC-IRXDYDNUSA-N 447.598 2.498 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(C(=O)OC)ccc2NC1=O 1157209508 USCMMTFYTQPEOB-ZWKOTPCHSA-N 443.500 2.149 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1167290914 FVAHISUFKWNBIZ-KRWDZBQOSA-N 435.590 2.385 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1190420214 HTPIVJIAUMTSRL-CHWSQXEVSA-N 436.347 2.055 30 10 IEEE C=CCOCCNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1231275173 NJFPKBFBHUBJIG-UHFFFAOYSA-N 426.558 2.126 30 10 IEEE Cn1nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(Br)c1C(F)(F)F 1264769128 HCCUJBSSMDKQJR-UHFFFAOYSA-N 443.227 2.430 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1286365945 NVFHIOOKXYPDII-IAGOWNOFSA-N 445.589 2.468 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccco1 1286413812 NORUFXOSAXXDQB-DEOSSOPVSA-N 445.527 2.026 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286672038 FQWDBQJBZHIEGU-MSOLQXFVSA-N 437.610 2.087 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286687127 LTSXTFVXEJIFSJ-VQTJNVASSA-N 429.613 2.190 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1286727666 WTKCELXVUDTRRD-IBGZPJMESA-N 449.552 2.298 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286792003 JRMKXHUHNOHIAE-PMACEKPBSA-N 436.516 2.179 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286792601 CQCSOKCJOCKCLH-PKOBYXMFSA-N 429.496 2.446 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286833474 FEDWYUQGICGTRN-LJQANCHMSA-N 425.562 2.495 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(-c4cccc(Br)c4)no3)C[C@H]1CS(=O)(=O)C2 1289208734 ZXUGSKQLGVYPPT-SJCJKPOMSA-N 436.287 2.114 30 10 IEEE Cc1cccc(NC(=O)CN2CCN(c3nnc(C)n3Cc3ccc(C#N)o3)CC2)c1C 1290041644 KFCWXLQAKZIECE-UHFFFAOYSA-N 433.516 2.477 30 10 IEEE CC[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297818383 QFZMILYBGVHKCD-MKTHODDLSA-N 448.543 2.092 30 10 IEEE Cc1cc(C#N)cc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1299291890 FJKSMUUIBXZORI-UHFFFAOYSA-N 440.525 2.119 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300413674 ZZZVHDNSJBVVNU-HXUWFJFHSA-N 425.508 2.249 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1300484591 QPHQPOGKOIRRSV-WMZOPIPTSA-N 426.546 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CC1 1300719015 LITIENZHWIARHY-UHFFFAOYSA-N 443.511 2.436 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300765748 JWYIWMFIAZUPPR-SFHVURJKSA-N 447.630 2.014 30 10 IEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1301270055 BUIHPMJGRQNDOQ-UHFFFAOYSA-N 432.319 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NCc2ccccc2)C1 1301557090 MKKDLUKKSHTGPJ-PMACEKPBSA-N 425.533 2.270 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)cc1 1303007725 WVAGGDMUJYLUMT-KRWDZBQOSA-N 441.285 2.120 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1305412934 RIEVRAZLCNFPNS-FIKGOQFSSA-N 439.564 2.293 30 10 IEEE CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1306482271 UWFDFVJBSMMSOB-WSGSOLELSA-N 440.573 2.345 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 1307989758 SAJKXRDYTUOHTM-QHCPKHFHSA-N 434.500 2.196 30 10 IEEE CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1313685217 BBLZLGDIWWJIAL-VZCXRCSSSA-N 438.488 2.089 30 10 IEEE CCN(CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1313819694 GGDJLFJMSSEZKZ-HXUWFJFHSA-N 426.521 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358992658 SAPMWKWTDAZKCC-UHFFFAOYSA-N 426.542 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1359040446 VFVRRTJBJUIFKF-YADARESESA-N 443.592 2.270 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C[C@@H]1CCOC1)C1CC1 1359048266 KGAUMSKJMVRUBB-INIZCTEOSA-N 426.546 2.297 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359187707 UVDPCGDHRGFIRB-GOSISDBHSA-N 427.553 2.450 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1360790684 HDUDZMAUUJVLGD-GOSISDBHSA-N 438.532 2.438 30 10 IEEE C#CC[C@H](CO)NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1450525493 LDHGFIDFGPGTKN-CQSZACIVSA-N 426.288 2.130 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1459403395 ZFMIHIOFBDJKRH-DLBZAZTESA-N 426.542 2.460 30 10 IEEE CN(CCc1cccc(C#N)c1)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1460663333 LFPDGADTKBISRZ-MOSHPQCFSA-N 449.536 2.280 30 10 IEEE C=C(C)C[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1462499857 BYWCGYCCQFMOPL-HNNXBMFYSA-N 437.290 2.449 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 1463129004 ANULGLDJCMMZAL-HXUWFJFHSA-N 429.498 2.015 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 1470021179 WFNFRIHTOHFDEJ-OAHLLOKOSA-N 435.571 2.159 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1471220448 YJDYPDXCSFOCBM-MRXNPFEDSA-N 449.573 2.364 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1492492563 CNSRJYJZFXIBDZ-UWJYYQICSA-N 447.536 2.318 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1499298733 BTNOXJBRXWCYSP-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1499961365 UAGWKKNXQJVYCN-CVDCTZTESA-N 439.564 2.316 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1503214106 QWTDUVKLDAFCJU-GOSISDBHSA-N 438.532 2.260 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2CCOCC2)cc1 1505317647 ASUANFRHCYDIHP-IBGZPJMESA-N 438.532 2.247 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507575773 WCPBWCMMPXXEQP-PGRDOPGGSA-N 433.553 2.399 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 1507681781 BFUHUSBEVXXQAB-UHFFFAOYSA-N 448.350 2.440 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C)COC2)CC1 1507722768 ICPNERCBMONPJT-UHFFFAOYSA-N 425.533 2.144 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507810304 YQPUVPHBSOCVNX-AABGKKOBSA-N 430.597 2.126 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507848029 UBWQCURQLUSKQP-HXUWFJFHSA-N 439.560 2.476 30 10 IEEE C=C(C)COCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507849193 UDMGFLGHVARQEE-FGTMMUONSA-N 446.552 2.370 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1507935659 SCYZWRMYYITTHL-NHCUHLMSSA-N 438.576 2.441 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507943175 WZOSSXZWLRUXTI-NRFANRHFSA-N 429.546 2.031 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1)C1CC1 1507992543 FSBQLNLRCRTGOO-MRXNPFEDSA-N 427.546 2.048 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508001249 NMSZYBVGRZCJIW-QFIPXVFZSA-N 439.541 2.082 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508084049 GBKNPFIQKHSBGB-QGZVFWFLSA-N 444.605 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C/C(C)=C/c1ccccc1 1508141583 VYVCRKZPKXSAKK-POWXATIXSA-N 443.573 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ncc(CC)s1 1508148254 QNEXUQAUBZLQNO-OAHLLOKOSA-N 425.580 2.386 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1508700543 RFXCFWADRBYMQV-KJEZJMDVSA-N 437.516 2.423 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1509439691 KNNORDSBRYAVDB-JTAQYXEDSA-N 448.612 2.414 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)C(C)C 1515442141 CBSBJOTWAVZLAO-GOSISDBHSA-N 446.577 2.387 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1517519307 TYBGMRLAPBIBEO-QGZVFWFLSA-N 430.459 2.203 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)c1 1518824331 CWXACHJUKDKVQF-JOCHJYFZSA-N 431.492 2.125 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCO1 1519150094 CYYAGUHXXVLDJY-VQTJNVASSA-N 438.532 2.323 30 10 IEEE COCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519412374 JJQPETUJLCIIIJ-XUVXKRRUSA-N 446.596 2.036 30 10 IEEE COC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 1531656259 TWEOAPDFPMJUMB-PMACEKPBSA-N 436.468 2.276 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539052783 SMIUHSYLKJUOBR-MJGOQNOKSA-N 446.573 2.392 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCCN1CCC(O)CC1 1539338342 YRUKZLQSFSDRDZ-UHFFFAOYSA-N 435.572 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccsc2)N(C)C)CC1 1539490659 YXFMHMSMEZETNJ-IBGZPJMESA-N 444.605 2.145 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539640526 IONMUARLIUFWQQ-NQIIRXRSSA-N 440.548 2.153 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539744182 DMTHFFHXOLZGBV-UHFFFAOYSA-N 427.553 2.128 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1540895543 UVBJWDYWNSSYIR-KNQAVFIVSA-N 441.557 2.378 30 10 IEEE C#CCN(CC(=O)NC[C@H](O)COc1ccccc1Br)C(=O)OC(C)(C)C 1545419880 XHCQIWCZWQCGMA-AWEZNQCLSA-N 441.322 2.175 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1547602835 DZAPAMMZTLMJSF-VQIMIIECSA-N 447.561 2.025 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1548267283 STXNHHOXTAQXSR-UHFFFAOYSA-N 436.520 2.257 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1554607152 BUOLUOPREYVFOK-LPHOPBHVSA-N 426.521 2.068 30 10 IEEE CS[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1555851740 DSWVTORXBVSHOG-LBTNJELSSA-N 429.587 2.400 30 10 IEEE CSCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555935688 XRFSPMIKRCWRGS-IRXDYDNUSA-N 442.593 2.302 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC34CCCC4)CC2)c1C#N 1556216946 KIRJFWQHGAIRFP-SFHVURJKSA-N 442.564 2.429 30 10 IEEE C=CCOC[C@@H](NC(=O)CSc1nc2ccccc2nc1N1CCCC1)C(=O)OC 1556375540 LWDNZYKLWLCPEO-QGZVFWFLSA-N 430.530 2.183 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1557978814 ZIYCODMVEPNZTM-HTAPYJJXSA-N 432.496 2.106 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1558546980 XLHWFRWJNOWMEA-LPADLIQXSA-N 425.485 2.440 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)n[nH]2)c1 1559046446 HQMZUVZPLGHVLW-SFHVURJKSA-N 432.440 2.319 30 10 IEEE C=CCn1c(S[C@@H](CC)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1559334154 WGBKJXABGBYCMA-INIZCTEOSA-N 438.575 2.015 30 10 IEEE Cn1cc([C@@H]2CSCCCN2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 1564531883 ZWJOUWQHLNAYBD-XIRDDKMYSA-N 434.566 2.369 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCNS(=O)(=O)c3ccc(C)s3)n[nH]2)c1C 1566637352 VWRAMWIUQXVGEL-UHFFFAOYSA-N 448.574 2.154 30 10 IEEE CN(C)c1ccc([S@@](C)(=O)=NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1587031240 FZFSQORLNCVZIC-GDLZYMKVSA-N 448.570 2.255 30 10 IEEE Cn1cc(I)c(CNC(=O)CSCc2ccc(C#N)cc2)n1 1587639212 HRZSSPGZOZJRQK-UHFFFAOYSA-N 426.283 2.446 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1588040795 QRTGSWCJIOXHIH-MJGOQNOKSA-N 446.598 2.476 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588266971 YVZVURCAXAPALL-DLBZAZTESA-N 449.552 2.298 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCC[C@H](O)C2)n1 1588724301 WYRQSTHGKXGAMO-KNQAVFIVSA-N 449.559 2.374 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 1588765979 OYQIBAAFUJMKMC-QZTJIDSGSA-N 448.585 2.352 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1589053950 XUSAOGDEQBCOAO-INIZCTEOSA-N 438.557 2.266 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCOCCS(C)(=O)=O 1589223525 NVVNWRWQOHRLLT-OAQYLSRUSA-N 434.537 2.061 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1593630264 IBADWYIAJGXOEJ-HXUWFJFHSA-N 445.589 2.400 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1595161520 CFMRYSDTZRBALP-INIZCTEOSA-N 432.575 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 1595760454 MXDCSSMKWBWTDO-IBGZPJMESA-N 434.562 2.287 30 10 IEEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1596682946 UVUNDNIJZVPCMR-UHFFFAOYSA-N 443.939 2.128 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1596984058 BBFUASFDZGJFQI-QZTJIDSGSA-N 430.553 2.201 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN(C)C3CCCCC3)CC2)c1C#N 1612469532 BJHDGIITYWYQSB-UHFFFAOYSA-N 425.585 2.091 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCc2cnn(C)c2)CCOC1 1616202541 IFKQPDDQYBOGPP-JOCHJYFZSA-N 427.553 2.427 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccccc2C)CCOC1 1616260789 FWAITRICRSXCDL-PGRDOPGGSA-N 427.505 2.046 30 10 IEEE COc1ccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)c(OC)n1 1619291549 WYBRYAIZGSQEME-ZHRRBRCNSA-N 444.536 2.375 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1626948926 CBFTZYYRLKZTMO-UHFFFAOYSA-N 428.514 2.160 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1627265019 SOIYVDPNTVMMHY-UHFFFAOYSA-N 431.493 2.374 30 10 IEEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628421646 MROHPBPPMYSTNX-GJZGRUSLSA-N 438.550 2.035 30 10 IEEE CC#CC[C@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1628508472 RRFVBNDMEQFHGC-MSOLQXFVSA-N 432.521 2.246 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OC 1628691681 FUWVMOZVGXPRTA-NVXWUHKLSA-N 426.535 2.307 30 10 IEEE C=CCN(C(=O)Cc1nc(C2CCOCC2)n[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC 1632981240 SQCRYUINZOWIIG-IBGZPJMESA-N 426.517 2.430 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCCOc2ncccc2C(F)(F)F)n1 1633364855 WVQRCANWSMFVQF-UHFFFAOYSA-N 425.411 2.167 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 1634082842 SBAJRDBEIIIKDX-UHFFFAOYSA-N 444.488 2.077 30 10 IEEE C#CCN(C(=O)Cc1ccccc1S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1634817690 GWRPDSHRCXQGJI-UHFFFAOYSA-N 434.558 2.494 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(-c4cccc(C#N)c4)no3)C2=O)cc1 1634860042 HNULXDJSYUXQNQ-JOCHJYFZSA-N 431.408 2.334 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N[C@@H]1Cc3cc(Br)cnc3NC1=O)C2 1637886285 QPTUPDOLAVBBDA-JKSUJKDBSA-N 426.274 2.046 30 10 IEEE N#C[C@]12CN(C(=O)c3cc4c(F)c(Br)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1639821307 CDAZQPWBBQMFIU-XXFAHNHDSA-N 426.267 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 1640853381 PTJNDZJUGSXFJJ-SVFBPWRDSA-N 440.544 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CC3CC3)[C@@H](C(N)=O)C3CC3)C2)C1 1642970121 NZBWRFDRYZZUCZ-POTGORPSSA-N 430.549 2.276 30 10 IEEE C#C[C@H]1COCCN1Cc1nc2c(c(O)nc(=O)n2Cc2ccccc2)n1CCC(C)C 1643379233 GDNRRRXJNUBHSG-IBGZPJMESA-N 435.528 2.227 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1643916355 VVOVKDSWCCOFLB-CALCHBBNSA-N 439.965 2.482 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3ccccc3)C3(CO)CC=CC3)CC2)o1 1653995480 UUEQDUSCAYXDJJ-QFIPXVFZSA-N 435.528 2.163 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 1662497100 DVJHKNRSDKZZII-GOSISDBHSA-N 446.548 2.124 30 10 IEEE C#CCN(C(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1668896254 RDBNFJJGMCYJKV-UHFFFAOYSA-N 436.534 2.201 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)c(OC)c1 1683589730 GXIGIHAVKQPHMY-LJQANCHMSA-N 434.496 2.210 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCc1nc(C)no1 1689949512 GYFZASHJERZRHQ-UHFFFAOYSA-N 426.477 2.365 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689980057 KXXYZHDXPBMANQ-NHCUHLMSSA-N 429.590 2.079 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689996172 DPDWQIYIIWZWLB-MOPGFXCFSA-N 428.558 2.171 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1690001307 JCADVDKLVJJRNE-INIZCTEOSA-N 434.479 2.075 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@@H](C)CC 1690063712 MXBOKLKBPBXQCT-INIZCTEOSA-N 431.562 2.113 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OCC2CC2)C1 1690673711 AZMKFUNIVXVFHP-SFHVURJKSA-N 430.578 2.331 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690720959 WAXSJPRFUDNVOY-SFHVURJKSA-N 441.561 2.287 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690742078 FVPUHZAHURENOI-AWEZNQCLSA-N 439.545 2.180 30 10 IEEE CC(C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1692471431 FYIUNVWTQYNCQV-UHFFFAOYSA-N 447.591 2.213 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@@H](C)N(C)C 1692712555 CQKDSAVCAJDULW-SJORKVTESA-N 425.585 2.194 30 10 IEEE CC[S@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1696529195 XNSSHTIJYQZDMC-SZUZZLPFSA-N 431.562 2.279 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccc(C)cc1 1698135514 PLWYSIIWFJSGAL-JTSKRJEESA-N 444.511 2.183 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](C(F)F)N1CCOCC1 1705548773 SYPWJDOZQWBTLO-INIZCTEOSA-N 433.459 2.099 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1705569205 DPCKXVNTURKKGI-FQEVSTJZSA-N 444.605 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCCN(CC)S(C)(=O)=O 1705575765 WLBOKDFKCRBBOP-UHFFFAOYSA-N 433.965 2.343 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705628743 OBEVVGLLYPQXAA-DLBZAZTESA-N 429.487 2.142 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705891893 CHWAIYGBUXJLRT-UHFFFAOYSA-N 443.621 2.391 30 10 IEEE C=CCNC(=O)Cn1c(N(CCOC)Cc2ccc3c(c2)OCO3)nnc1C(C)(C)C 1705908698 UFAISSFGJRJYBH-UHFFFAOYSA-N 429.521 2.260 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(Cl)c1 1706900905 RCIGXHXPUDFOIE-YWMUFLPLSA-N 431.924 2.462 30 10 IEEE Cc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1707674443 JNLALDHGVFGNJK-UHFFFAOYSA-N 444.543 2.366 30 10 IEEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c1 1711585353 JQPRJKXOJRYZCL-UHFFFAOYSA-N 438.532 2.480 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1712611419 BNDMCUPQNWIRNA-MBSDFSHPSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)(C)C 1722295508 WQRPCVCWBPBEKN-HNNXBMFYSA-N 445.593 2.001 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(C)CCCO2)c1 1722309017 IQARVUOIFKLGRF-QHCPKHFHSA-N 431.500 2.360 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1722340773 HYVUMUGHZXFCTB-OALUTQOASA-N 444.580 2.284 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722345514 GENSSHVBDUKOTN-QUCCMNQESA-N 443.573 2.227 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722362025 LWEXPTOQIXJFJU-INIZCTEOSA-N 443.504 2.364 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)c2ccccc2)CC1 1722436710 DFMNMYHMNRHBIG-PZJWPPBQSA-N 441.601 2.129 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722457716 LKQIBTQKANNDLF-GOSISDBHSA-N 449.584 2.460 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722458690 QFUKVQTYIPXFPO-LJQANCHMSA-N 441.605 2.326 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722493609 JBZXLLPQGGKOGK-SPUZQDLCSA-N 447.536 2.292 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)cc2)CC1 1722565893 FEUOYJFIEGUKMN-IBGZPJMESA-N 443.573 2.075 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1722740719 RSRCQMWMJPQLOV-HNNXBMFYSA-N 446.577 2.420 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1722866444 BEDYRDMYVICCIQ-ZHALLVOQSA-N 442.589 2.227 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1730730862 CZWBENVMLKJNCH-KRWDZBQOSA-N 438.454 2.162 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC1CCOCC1 1740610407 ZMPDJBHNRDLSHZ-UHFFFAOYSA-N 439.564 2.107 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1740660947 KEFMVPKPNQAKOK-UHFFFAOYSA-N 438.576 2.133 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1740712794 UGDDZKQXRICHHM-UHFFFAOYSA-N 434.363 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740761327 VUZNNSFZOJQOIL-REWPJTCUSA-N 444.624 2.202 30 10 IEEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740828660 SGEVRYJDNDKFDD-QFIPXVFZSA-N 430.574 2.159 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O 1740917667 ZZYTXSMICNVPDR-UHFFFAOYSA-N 440.529 2.163 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740961331 UGFWSJZORCXXAE-OAHLLOKOSA-N 441.486 2.177 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740995030 XYRQEQYRMRQHJZ-FPOVZHCZSA-N 443.617 2.337 30 10 IEEE CCO[C@@]1(c2nnc(N3CCCN(C(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1746724093 CVQBYKVCUMJFDK-QFIPXVFZSA-N 428.537 2.364 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC(=C)C 1748652014 VRUYUOSHGOGXSR-QGZVFWFLSA-N 431.562 2.246 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 1748723828 AEJURCHHCAATSL-KRWDZBQOSA-N 428.562 2.178 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748810253 VABFRBMDXWZDOZ-PZJWPPBQSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1748859150 QZQFVOHHMMXIDE-SFHVURJKSA-N 428.583 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1749003831 XGYKHEJJBGCBLN-UHFFFAOYSA-N 447.486 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCNc2ccccn2)CC1 1749008871 HTUPYEUWOQQFKE-UHFFFAOYSA-N 432.532 2.136 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1749103947 IBTOFCFEVVOKFG-OAHLLOKOSA-N 447.399 2.078 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749603032 KOSOSSVYPMOUBP-DZCCDHAISA-N 425.533 2.323 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1749995134 NPDZTCLDIAZKCL-GOSISDBHSA-N 436.520 2.005 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC#N)CC1 1750215301 USRLGLPUOLCOFJ-UHFFFAOYSA-N 437.957 2.063 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1751036907 GQFJQPWMZWPWBY-HXUWFJFHSA-N 440.548 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OCCN(C)C 1760096318 JNZICZZSQIZMAF-SFHVURJKSA-N 447.543 2.372 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1760187938 MERFYSHXKFDIEF-IBGZPJMESA-N 428.558 2.478 30 10 IEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(F)F)CC1 1760259393 LVDQVNFVKHWXFB-UHFFFAOYSA-N 444.534 2.253 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760273132 JJLBBJHRFPTQPI-QGZVFWFLSA-N 446.621 2.012 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760281996 UCQSRVPAQMQFGB-KRWDZBQOSA-N 434.610 2.169 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(CC)c1 1760325584 RMDYBPVXNXMGQX-WIYYLYMNSA-N 427.553 2.235 30 10 IEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1763233028 JKXFYEQASQXGIH-UWVAXJGDSA-N 428.512 2.244 30 10 IEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1764302593 FYPASKLAKBZIID-LJQANCHMSA-N 430.578 2.172 30 10 IEEE CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1764947329 BSZKWPKVPPWPES-VZCXRCSSSA-N 440.504 2.335 30 10 IEEE CCOCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1768073985 YZNLAGBBCPPECR-JOCHJYFZSA-N 439.495 2.451 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1769974100 SIYVGWDYXYANBM-DVSDUFGPSA-N 445.520 2.288 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1770126208 FUIBEEBFAIOILO-FQEVSTJZSA-N 448.483 2.483 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)N(C)C 1771216222 BKLZNSAYUAYDMM-OALUTQOASA-N 441.580 2.150 30 10 IEEE N#Cc1cnc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)c(Br)c1 1851185535 HISFTELPPOHPNB-UHFFFAOYSA-N 449.330 2.198 30 10 IEEE Cc1cc(C)cc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 1851522557 WPIDURVVIDXRIF-NRFANRHFSA-N 447.539 2.288 30 10 IEEE N#Cc1ccccc1OC[C@@H](CS(=O)(=O)c1ccccc1)OCC(=O)N1CCCC1 1852125743 OJCBJROZZNFFHE-IBGZPJMESA-N 428.510 2.419 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1858965636 VIFMXIZJOVSTQW-UHFFFAOYSA-N 433.442 2.434 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)cc1 1874277171 LPDKPISCRQQJRQ-YVJZOELXSA-N 431.518 2.245 30 10 IEEE COc1cc(Br)cc(/C=N/n2c(SCC(N)=O)nnc2C2CCC2)c1O 1874494483 OKKXUWBPOOJKQW-FBCYGCLPSA-N 440.323 2.482 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(Br)cc2C#N)[C@H](S(C)(=O)=O)C1 1877657522 CKPHYPPHIDFPOE-CHWSQXEVSA-N 445.339 2.160 30 10 IEEE COc1ccccc1OCC#CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 1890639931 VGUCBIGFKZLOPM-UHFFFAOYSA-N 437.427 2.201 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1993686745 GJSKYWHKYXPTFK-BZUAXINKSA-N 427.542 2.332 30 10 IEEE C[C@@H](OC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1)C(=O)NC(=O)NC1CCCCC1 2040425279 SIHKKEGGBDZRRY-CYBMUJFWSA-N 447.454 2.434 30 10 IEEE C#CCNC(=O)CCNC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2068343808 RLCWTOFADOWHCG-DEOSSOPVSA-N 443.544 2.086 30 10 IEEE C#CCCN1CC[C@@H](NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2083723879 SFQCBQWCVOWVIU-PXDATVDWSA-N 440.588 2.370 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243416710 IZXCSYCGHIBKGQ-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248404265 LLHPZXLCVJANSI-DGCLKSJQSA-N 441.359 2.309 30 10 IEEE C=C(CS(=O)(=O)N[C@@H](C(=O)O)[C@H](C)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2248575226 ZEYAWIFPEUWQDS-DOTOQJQBSA-N 439.339 2.152 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255648904 GEICTNWRWZDBBA-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)Cc1ccccc1 2255800035 BTQMWMSTESJCMJ-UHFFFAOYSA-N 447.362 2.178 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255838144 BCVKYPUGWYPMML-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256923380 IHPQVDWTUWMQQH-HNNXBMFYSA-N 446.334 2.232 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267139008 ABZMBCFEEZJKKE-DZGCQCFKSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CC[C@H]21 2267140870 UEKKEBASIZUMAM-OFQRWUPVSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267266418 CNXHXDLCJNVBPG-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267756791 DRAXXJZHQVJODL-ZDUSSCGKSA-N 448.325 2.136 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@]1(C)COC 2301111518 RJDKGGMLMHGZHL-WFASDCNBSA-N 427.361 2.229 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)C=Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2328155802 YXUJGHRPFQCCHL-TYCQWZJGSA-N 431.492 2.048 30 10 IEEE C=CCOc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)OCCC 2330796798 CCQFRHOQORQOSK-UHFFFAOYSA-N 431.518 2.407 30 10 IEEE CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H](/N=C\N3CCCCCC3)[C@@H]2SC1(C)C 100073274 NPGNOVNWUSPMDP-YALIICJISA-N 439.578 2.412 30 10 IEEE COC(=O)c1c(C)oc(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C#N 170493342 FMYPJAGBFJPJMR-UHFFFAOYSA-N 440.368 2.169 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 238931125 VCCOUUARLVKIAC-YOEHRIQHSA-N 425.876 2.425 30 10 IEEE CCOCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3ccccc3nc21 252672019 OYEAGUBZVWSTGQ-UHFFFAOYSA-N 428.452 2.084 30 10 IEEE C=CCn1c(=NC(=O)c2ccc(C(=O)OC)cc2)sc2cc(S(N)(=O)=O)ccc21 254451757 LTYJWRIBOIHXSS-UHFFFAOYSA-N 431.495 2.064 30 10 IEEE C[C@@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)n1cnc(C#N)n1 410009430 JTHBZZTWENPQEN-QPUJVOFHSA-N 432.200 2.342 30 10 IEEE COc1cccc(N2CC[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)c1 464948895 FZEPEDMJFYBEPJ-MSOLQXFVSA-N 435.532 2.103 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccon3)c2=O)cc1C 480941505 XSOOSXFMZCTSKM-UHFFFAOYSA-N 437.521 2.300 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C3CCCCC3)C2)CC1 482974509 ATNCYDAHNHHABO-LJQANCHMSA-N 430.574 2.046 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)C2)nc1 490967947 FKBBKJKKQONKHL-QGZVFWFLSA-N 442.907 2.402 30 10 IEEE CS(=O)(=O)c1csc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 502238734 XPBNJWQWXSDAKP-UHFFFAOYSA-N 432.483 2.234 30 10 IEEE C=CCCOCCCCC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506844953 PCCNKNKNNYQGHH-HXUWFJFHSA-N 431.581 2.131 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 510363599 MKIZUBDOOAZYFX-UHFFFAOYSA-N 428.514 2.470 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 533353077 JSGRRRUCWCALDH-MRXNPFEDSA-N 442.541 2.431 30 10 IEEE N#Cc1ccccc1-c1ccc(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 539116958 FTROPQRHTOPMFF-UHFFFAOYSA-N 427.507 2.351 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC2)CC1 550047835 UDORVKBSJVQTJN-IBGZPJMESA-N 429.528 2.499 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 572414187 KXNARJGHEQJWRO-UHFFFAOYSA-N 431.470 2.291 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccncc3OC)nnc12 580930951 NWQBTAYEWIOLTG-UHFFFAOYSA-N 436.497 2.042 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N(CCO)Cc1cc(Br)ccc1F 584379136 MZJQLFPQUSXXOG-INIZCTEOSA-N 441.301 2.453 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)cc1 590441969 XOMZQQWHOVHWAW-UHFFFAOYSA-N 425.417 2.008 30 10 IEEE CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)nc1 603958049 ZDXKNCKOACGJOR-UHFFFAOYSA-N 434.905 2.294 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 610005314 PYBHPHHOPOXDCU-QGZVFWFLSA-N 430.496 2.368 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](Cc3nccn3C)c3ccccc3)CC2)c1C#N 615989571 WBPOGEFZPQTUSY-FQEVSTJZSA-N 432.532 2.149 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)cc2C1=O 728087392 VBCDMXVHTCEGDK-LBPRGKRZSA-N 434.404 2.228 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@H](C)c1cc2ccccc2o1 741340780 HERSSTIKNYMGIH-UCJAOIKMSA-N 425.441 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 758490716 CZNXKMDCYRQLFD-RYQLBKOJSA-N 427.505 2.240 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758774728 USPMTEJRDUEQJS-MAUKXSAKSA-N 445.520 2.251 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 763937860 MFYQTLRICUWIGJ-ZVHAPPFCSA-N 447.561 2.022 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)C1=O 771584398 ZZZNANKNBBNVSV-MZNJEOGPSA-N 448.479 2.427 30 10 IEEE C#CCN(C(=O)Nc1cnn(CC(=O)NC)c1)[C@@H]1CCOc2ccc(Br)cc21 772463311 WTEGUTPMTRDHMS-MRXNPFEDSA-N 446.305 2.383 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)ccc2c1=O 779191536 QUSMBLGOLDZSFP-UHFFFAOYSA-N 436.541 2.434 30 10 IEEE CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 781019731 IPFNYWRHTMOMJJ-BBRMVZONSA-N 431.493 2.339 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOC 781654996 XMXAJUPQMCVHQI-UHFFFAOYSA-N 443.569 2.085 30 10 IEEE C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 803848719 VXPFRFLSOGCQBE-HNNXBMFYSA-N 442.497 2.312 30 10 IEEE C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 804372944 OLWXNAUNVTVGOB-CJNGLKHVSA-N 447.479 2.464 30 10 IEEE C#C[C@@H](N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1)C(C)(C)C 807941167 MGLPFBWZKWFGFG-DLBZAZTESA-N 445.589 2.138 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 809893330 MVIJOAHMKRLRQN-QGZVFWFLSA-N 429.525 2.241 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 809910317 QJPXSXAWDYMBNZ-KRWDZBQOSA-N 448.568 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 810980528 BBEDCQKMXPVQCI-ZWKOTPCHSA-N 430.480 2.375 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 813723197 BDMODUDGGRFFHV-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 916775201 KETGTPWIEFXDRB-UHFFFAOYSA-N 444.490 2.385 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccncc3)n2)cc(OC)c1 1084132582 RJCQJIIWLNTFLJ-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCOCC1 1131468779 MHLQTANFSVGLRH-LJQANCHMSA-N 442.940 2.424 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)CC1 1144025468 FQWQJFLCVLMZAH-UHFFFAOYSA-N 447.461 2.097 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)cc1 1144904378 ITHHFQBLEPYQKY-UHFFFAOYSA-N 435.546 2.023 30 10 IEEE Cc1sc2nc(CCC(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)nc(O)c2c1C 1151224277 GLOLBPJEPUNXEP-UHFFFAOYSA-N 427.490 2.016 30 10 IEEE C#CC[C@@]1(C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)CCCN1C(=O)OC(C)(C)C 1151878522 DCUOASJVSLXAMA-QFIPXVFZSA-N 449.573 2.046 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1154958111 AEBFMSUKKFFARN-GOSISDBHSA-N 445.516 2.463 30 10 IEEE CN(CC(C)(C)C#N)C(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1159301175 MDPPHHTXPZTXDC-NRFANRHFSA-N 425.526 2.342 30 10 IEEE Cc1ccc(C[C@@H](CO)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1160894885 GUJDSMNMRBMXLX-FPOVZHCZSA-N 434.496 2.100 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C(=O)OC 1161357104 KOEFUNTWZUQZSX-LJQANCHMSA-N 430.482 2.099 30 10 IEEE CCOC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCCC1 1164040638 WHZDVQVNFJQMEF-BEFAXECRSA-N 435.546 2.243 30 10 IEEE C#CCOc1ccc(Br)cc1CN[C@H]1CCCN(CCN2CCOCC2)C1 1179443564 QMAWJEJDQJAQAZ-FQEVSTJZSA-N 436.394 2.347 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@]12CCCN(CC1)C2 1213711832 QHHUULLXLRPQST-NRFANRHFSA-N 425.595 2.137 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1225939060 VLOHHLHHKGLIIP-KZNAEPCWSA-N 435.569 2.030 30 10 IEEE C#C[C@H](NC(=O)NCC1CCN(S(=O)(=O)CC)CC1)c1ccc(Br)cc1 1225979458 OPXMURXCDBVTKU-KRWDZBQOSA-N 442.379 2.484 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1235543891 IGHCZRLBHOTURQ-LJQANCHMSA-N 428.533 2.465 30 10 IEEE Cn1nccc1[C@@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1 1251142831 BXECLJAMUCYTCY-IERDGZPVSA-N 448.531 2.212 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)C1 1255362899 JASGYHXGXCJDQF-VQIMIIECSA-N 438.528 2.108 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1286279687 WOGNGZMLQMCXFM-KBPBESRZSA-N 425.942 2.079 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC(F)(F)F 1286369448 QHSTZBWGFGJYTM-UHFFFAOYSA-N 448.405 2.460 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NCCC)c1 1286380236 GIMCPUGDVCMDQM-PMACEKPBSA-N 425.533 2.260 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)c1 1286383340 WYBDOTMORQJHKQ-HDICACEKSA-N 427.553 2.485 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286397090 RJVFZEKKTMIWIT-TXPKVOOTSA-N 430.530 2.073 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1286437462 NUZDTFLXICLQOC-QHCPKHFHSA-N 433.597 2.279 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOc2ncccc2Cl)CC1 1286482441 RJJRICIXNGTQII-UHFFFAOYSA-N 437.935 2.147 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1286530023 DMGTWYGLWJDONX-HNNXBMFYSA-N 425.375 2.390 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286792986 OFSPJTBWMBBROX-FGTMMUONSA-N 441.532 2.029 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCOc1cccc(Cl)c1 1288772070 DFLRDGWNNNWWJC-KBPBESRZSA-N 440.957 2.359 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1289624505 KLWIBBHLMHQGAI-QGZVFWFLSA-N 426.542 2.170 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C(C)(C)[C@@H]3CCC[C@H](C(F)(F)F)N3)CC2)c1C#N 1296472340 PJAQTEQBVHLQBL-JKSUJKDBSA-N 426.487 2.348 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC(F)(F)C2(OC)CCOCC2)c1 1300331757 PVXWIIPHCSUNBU-UHFFFAOYSA-N 447.486 2.474 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488097 OOQGUFXUHMPJPY-RBUKOAKNSA-N 444.605 2.164 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1300699907 JLODLCWLJYWAPD-UHFFFAOYSA-N 443.617 2.215 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300755408 RVAMMJAIMSZDSG-INIZCTEOSA-N 445.593 2.491 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)OC 1301029273 DXGRVUJSCYDVNA-LPHOPBHVSA-N 429.521 2.394 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1301040170 DDHQKZBNBBLLQX-OAHLLOKOSA-N 438.937 2.340 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)CC1 1301066985 VIKMUXBWLIGWHO-QGZVFWFLSA-N 444.605 2.475 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1301226367 PAAHLMVBQNDWMT-KRWDZBQOSA-N 438.488 2.384 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1Br 1301474601 BWNUBNVNPOUCFJ-UHFFFAOYSA-N 449.353 2.117 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1302321396 NZNXGOCDWOQGNW-UGDMGKLASA-N 443.573 2.360 30 10 IEEE CC(C)CCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1303107075 FABWWVFOOMEPIY-INIZCTEOSA-N 430.509 2.187 30 10 IEEE C=C(C)C[C@H](NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)OCC 1303112640 YLCOKZWRNNVKQH-IBGZPJMESA-N 437.562 2.433 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1303674320 LSHAFDBNUSPNLJ-YESZJQIVSA-N 434.541 2.361 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCO[C@H]3C=C)nnc12 1306845693 GRYXDDGAJJZUSU-WBVHZDCISA-N 425.514 2.172 30 10 IEEE CN1C(=O)N[C@H](C2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)CC2)C1=O 1314894305 MSTCQMLNGRWAOT-GOSISDBHSA-N 439.520 2.146 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1315029253 SQVIVZCROBDGHN-SFHVURJKSA-N 432.532 2.238 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1315825429 PDDCDEXFQRIDGH-YQMJFVBQSA-N 429.496 2.310 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1316067846 CSBVVEHVHROILO-FQEVSTJZSA-N 434.548 2.122 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1358871568 HGAYMFIYDBQQBL-NLWGTHIKSA-N 444.605 2.183 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358959494 JWKSJBKAHYNZOS-IRXDYDNUSA-N 449.964 2.189 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1358967971 WSHWIOFLYSAJBL-LJQANCHMSA-N 448.614 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(OC)CCCCC2)CC1 1359044419 FTDWCZXSVAVESG-IBGZPJMESA-N 429.565 2.097 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1359098073 XBRGTUCNJBZVNS-BLIXFSHQSA-N 444.580 2.096 30 10 IEEE C=CCCOCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1359229798 VLZWGLWUSRIXCM-CRAIPNDOSA-N 434.459 2.290 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1359299123 VZQWGEUAIHACQR-INIZCTEOSA-N 448.531 2.276 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359639240 WLZADHVFFULLIY-LJQANCHMSA-N 432.532 2.316 30 10 IEEE CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H](C)CS(=O)(=O)CC 1360303446 DMCOGLPVSFTZJN-UKRRQHHQSA-N 425.938 2.236 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1360474008 FACYPWCQBDSXJF-QGZVFWFLSA-N 448.531 2.151 30 10 IEEE C#CC[C@]1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCN1C(=O)OC(C)(C)C 1436605377 JDASHBMBCJWCDR-JOCHJYFZSA-N 443.504 2.431 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C 1446144530 XPWRDSLCGYUJCH-HNNXBMFYSA-N 449.515 2.392 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)s1 1453899948 PQDBBEHNSHHGRA-NEPJUHHUSA-N 426.482 2.323 30 10 IEEE CC(=O)c1cccc(C#N)c1OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1459238647 LLXZBJUIMYWSOJ-MRXNPFEDSA-N 432.523 2.417 30 10 IEEE C=CCCSCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1461410736 UESYEIGPIQPRSB-UHFFFAOYSA-N 440.587 2.284 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(C3CCOCC3)ns2)ccc1F 1462175126 BCQPZFDMRHNUHQ-UHFFFAOYSA-N 426.495 2.288 30 10 IEEE C#CC1(NC(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)CCCC1 1478600716 GXGSLAHNYKWEFF-UHFFFAOYSA-N 428.352 2.281 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1503552264 XCTKHZXILITRSO-HLAWJBBLSA-N 441.532 2.131 30 10 IEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)CN(C)C2=O)cc(OC)c1OC 1504066459 NMTYKRZTSQWSPC-RCDICMHDSA-N 442.520 2.188 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ncn(C)n1 1507522020 AIFQRFGLGHSDGQ-GFCCVEGCSA-N 430.310 2.351 30 10 IEEE C#CCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598745 IEHNMIBXXKIQJD-WNRNVDISSA-N 442.564 2.177 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507667602 PHJKPGDSFMPUHU-ZWKOTPCHSA-N 440.548 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccnc(OC(F)F)c2)CC1 1507734546 ZGSNIKFZTBQWFD-UHFFFAOYSA-N 432.475 2.412 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNC(C)=O)CC1 1507734811 YZYBEVOBRRRVFI-UHFFFAOYSA-N 448.527 2.183 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1507841581 YAOMVHZXZUBQEG-UHFFFAOYSA-N 445.520 2.443 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N(C)CC(=O)N1CCOCC1 1507872118 FZFYTTJIXMWGBV-UHFFFAOYSA-N 449.939 2.303 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507960546 ZJSSZTPFIDONDB-WMZOPIPTSA-N 426.477 2.161 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOC2=O)C1 1508125789 IWYVUEHHRLFUEZ-KRWDZBQOSA-N 432.550 2.257 30 10 IEEE Cc1nc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1511564177 GSOBHDPVGIDNBW-GUYCJALGSA-N 442.911 2.470 30 10 IEEE CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1515323337 CYCJNMOPEJKFKJ-ZZEZOPTASA-N 437.504 2.130 30 10 IEEE CCn1cnnc1Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1515799578 VUWMSRALKZDUIH-OAGGEKHMSA-N 443.556 2.447 30 10 IEEE COCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1519048605 AXUCPLLQEPPPCF-UHFFFAOYSA-N 433.472 2.178 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)C2=O)cc1 1519457774 NJVWQZHTGKDFBQ-QFBILLFUSA-N 431.452 2.005 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 1527788143 TXCAXBILASEYFB-IBGZPJMESA-N 428.529 2.498 30 10 IEEE N#CCCN(C(=O)CCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1 1529839591 XFJUVXJSJKSDAW-GOSISDBHSA-N 441.509 2.065 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1538976665 OARISYVCKKQLDV-ZHRRBRCNSA-N 430.553 2.129 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(C)C2CC2)c1 1539042900 LAEPLQSVXFTFQK-IEBWSBKVSA-N 436.560 2.321 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1539072872 XRBRUXFCELXJPK-NRFANRHFSA-N 425.581 2.421 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539104503 JUNQPVIYPDATEC-INIZCTEOSA-N 441.967 2.196 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1539179802 RTUPSTRLMLDQRE-XUVXKRRUSA-N 428.558 2.418 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539212640 WRYSBVAEOOOJCF-FQEVSTJZSA-N 428.558 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C1CC1)N(C)C 1539232713 MZMKBYIFPHEKQT-FQEVSTJZSA-N 438.963 2.275 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1F 1539415197 AVAHNUNSCLYZNI-HNNXBMFYSA-N 440.928 2.107 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1539555981 HDPSZDJNBYNXBM-SIKLNZKXSA-N 443.573 2.402 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@@H]1C 1540126222 BYEDIRPFKNUHGC-IBGZPJMESA-N 426.565 2.330 30 10 IEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(OCC(N)=O)CC1 1540857904 VRARXZQOGYZYFJ-INIZCTEOSA-N 448.568 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1540902631 NIWPUIHTPWHNCW-MOPGFXCFSA-N 438.594 2.373 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C(C)(C)C)CCOC1 1541724771 XMSCXZGTXXRAGF-QFIPXVFZSA-N 432.569 2.221 30 10 IEEE Cc1csc([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)n1 1542849317 DOAHZVIRTISSFW-GUYCJALGSA-N 426.550 2.437 30 10 IEEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)c3ccccc3C#N)c2)CC1 1543689628 UCHIPKYQWLAFOL-UHFFFAOYSA-N 434.468 2.225 30 10 IEEE Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cnn1CCC#N 1544514991 YYKHWWAYLFNTJL-INIZCTEOSA-N 429.546 2.456 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1544727513 FTAFZBQQLPJMQW-NRFANRHFSA-N 435.590 2.335 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1555524591 HBWKBFYRFRRQBI-UHFFFAOYSA-N 436.564 2.382 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@](C)(C#N)C1 1555687820 OMWASVLNEXEOHP-XMSQKQJNSA-N 426.521 2.381 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1555845266 HGTXYLTXTNVNAA-RHSMWYFYSA-N 435.575 2.104 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C1 1555986600 OJFFFMSMFVDFQF-OAQYLSRUSA-N 442.426 2.348 30 10 IEEE CC(C)(C)c1n[nH]c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1556968751 QHIFBXCABHCONI-UHFFFAOYSA-N 432.550 2.018 30 10 IEEE C=C[C@](C)(O)C(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1557622667 YNNSLCHKAUEIJB-ZHRRBRCNSA-N 433.553 2.110 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C1(CO)CC=CC1 1583348607 HZOPBUYREOWNAF-UWJYYQICSA-N 439.537 2.411 30 10 IEEE COc1ccc([S@@](C)(=O)=NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1584722300 GIMODWZIXGRXMW-FZEVHQGJSA-N 440.481 2.455 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCN2CCCC2)c1 1587689979 VSORHNXQFCWMIG-UHFFFAOYSA-N 429.528 2.492 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OCC=C)C1 1587823496 SJTPATFZKLZMKF-LJQANCHMSA-N 443.573 2.390 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(C(N)=O)nc1 1588612671 JGHHMPAIUZBTMC-UHFFFAOYSA-N 441.495 2.122 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnn(C)c1 1595477493 VOSKGQFYEVKMKS-HNNXBMFYSA-N 427.484 2.229 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1595707716 ZLOLOFDYEDUKFA-UXHICEINSA-N 428.581 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCc2c(ccnc2O)C1 1595812703 ZKSCKIWVQUAOCC-UHFFFAOYSA-N 445.570 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1595831064 JYCJFCGGISKADI-OXQOHEQNSA-N 426.583 2.372 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1596752477 VIPKSJCTROQWIC-MRXNPFEDSA-N 426.521 2.259 30 10 IEEE CC(C)(C)c1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1597048456 UFVVTMOYMZVRHN-VHEBQXMUSA-N 430.553 2.091 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(OC)[C@H](C)CC(=O)OC 1607956702 LTRQUKLFILTGMJ-LLVKDONJSA-N 429.267 2.440 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCCN1CCOCC1 1608243289 KZDFSTSXRXJVEE-UHFFFAOYSA-N 439.564 2.037 30 10 IEEE CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1617602388 DBCGGTRUJJRLJL-OAQYLSRUSA-N 445.527 2.192 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1c1cnn(C)c1 1619912178 URIDBZMNDHJYTH-LJQANCHMSA-N 435.536 2.109 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCCS1 1620018786 HPFHUFJDAKMHBS-BHIYHBOVSA-N 434.610 2.464 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccncc2)c1 1620150117 DECCIARPPPSJPZ-OAQYLSRUSA-N 440.504 2.428 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCOC2)CCO1 1620354941 MZNFYTIXDFNWJJ-AEFFLSMTSA-N 444.923 2.017 30 10 IEEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 1622759828 AMLUNSDABYTPFB-RTBURBONSA-N 433.379 2.476 30 10 IEEE CC(C)(C)C1CCC(C#N)(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1625757190 KURKKLVATLOSEI-HRZDDSQGSA-N 430.524 2.343 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1)c1cc[nH]n1 1626876709 IUUPFQDSSQVQCW-KRWDZBQOSA-N 426.477 2.473 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1627067900 IOLRALQJCPZGRB-XUZZJYLKSA-N 440.544 2.110 30 10 IEEE N#CCCN1CCN(C(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 1633690787 DWNQIGRXKKGYRB-SFHVURJKSA-N 437.466 2.437 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCOc2cccc(C(F)(F)F)n2)c1 1637926676 VVMMFKFOWTYTRY-UHFFFAOYSA-N 431.367 2.346 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)C1 1638075804 VGFVAGJQIVIUMF-NRFANRHFSA-N 425.554 2.301 30 10 IEEE N#Cc1c(NC(=O)CCN2CCC(C(N)=O)(N3CCCCC3)CC2)sc2c1CCC2 1648176007 FOJUZSSNTDYGSL-UHFFFAOYSA-N 429.590 2.243 30 10 IEEE C#CC[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1657715627 NQBHZEFMAISWBN-KRWDZBQOSA-N 435.546 2.373 30 10 IEEE C=CCN(C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1)[C@H]1CCS(=O)(=O)C1 1662311609 ZQCBOLWMCQCAIB-INIZCTEOSA-N 444.513 2.441 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C(=O)OC 1664950632 CTHADFBABDVMAF-AWEZNQCLSA-N 446.312 2.325 30 10 IEEE C[C@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(C)(=O)=O)cc1 1668271338 FMIPKVHFTNGORP-MRXNPFEDSA-N 441.557 2.428 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)C1 1669205910 WKSBNICENXABSQ-IBGZPJMESA-N 437.510 2.354 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)NCC3(C#N)CCOCC3)C2)cn1 1676738278 RURNVQJPJYLNGR-IAGOWNOFSA-N 431.537 2.197 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1689999850 JUOUNDPVZHJNOZ-MAUKXSAKSA-N 449.964 2.002 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCC1 1690018172 WTCKOISCHSCPII-SFHVURJKSA-N 427.549 2.380 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccc(F)cc12 1690019837 SLNKRFANQYORTN-KRWDZBQOSA-N 439.516 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1690095189 HXAMOBOVEYMQJI-IBGZPJMESA-N 432.546 2.007 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1690253167 NJAHYMNWHFBACG-UEXGIBASSA-N 425.533 2.458 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCc2ccccc21 1690659361 QMAPNWLZHCCSAX-GOSISDBHSA-N 431.500 2.351 30 10 IEEE COC[C@H]1CCCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697844397 XZHVFAWXUZQEAL-XOMICKMZSA-N 428.537 2.325 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1698025165 SFRCAJUALPZJCX-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCn2cc(Br)cn2)C1 1698483481 DARINPIFFHHRNJ-SUMWQHHRSA-N 438.305 2.273 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCSCCCO)c1 1698484037 DMQNNDPWEQDKNJ-KRWDZBQOSA-N 428.562 2.024 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1698491781 NVCQVZKLEVENQM-ZWKOTPCHSA-N 438.523 2.268 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2ccccc2)nc1 1705551084 GDMCHDFRCXOADG-GOSISDBHSA-N 437.525 2.485 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCN2CC)CC1 1705634080 IXHKLYVVPWHTQK-OAQYLSRUSA-N 437.548 2.483 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705708616 FFNZOOLSFJKULG-HQRMLTQVSA-N 445.568 2.370 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705709797 DOJYJCRXIUBEOW-ZWOKBUDYSA-N 441.598 2.019 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-n3cncn3)nc2)CC1 1705776327 DIZBKDPCKZPABO-KRWDZBQOSA-N 438.536 2.429 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705799436 WTEQYXVDSOVXBM-PXNSSMCTSA-N 426.583 2.252 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1705898530 OQTATANSQNPREQ-APWZRJJASA-N 435.536 2.238 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1706076329 AYCOFIMVQKVIOS-INIZCTEOSA-N 430.940 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722280475 FMIJQSOJWZJYER-AEFFLSMTSA-N 443.983 2.394 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722335847 DMUGMSAAROEHEX-UHFFFAOYSA-N 435.981 2.407 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722464608 LPTAZHUHNAAGMP-UONOGXRCSA-N 431.484 2.001 30 10 IEEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1722488420 GNIPQOWZQUBLGQ-KDOFPFPSSA-N 443.342 2.228 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722494024 LFSDPUMQKAUCQV-VIPLHTEESA-N 430.505 2.188 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722533787 AUKUUWUWPKHSPU-LJQANCHMSA-N 433.578 2.260 30 10 IEEE C=CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722611212 UEWIVGYOESIKNC-XLIONFOSSA-N 426.583 2.298 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1722704835 XOOCTUJAQZJKEG-WMZHIEFXSA-N 425.533 2.226 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CC1(C(N)=O)CCOCC1 1727408372 AECONAAQIKGPFK-KRWDZBQOSA-N 440.548 2.297 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1727881206 RVEFQUHFROVLSI-HXUWFJFHSA-N 437.548 2.228 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)c(OC)c1 1730073732 RWGPCOBHAAAXMV-LEWJYISDSA-N 431.468 2.210 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cc(C)nn2C)cc1 1730195179 DIVAEDBTCXZEJU-NRFANRHFSA-N 425.468 2.398 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1730725479 BHMQUZGWYWEPGK-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1 1730909640 JHRTXILHEOWOBI-FPOVZHCZSA-N 441.532 2.397 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)CC1 1731190065 MYHABTKFGHNTQX-UHFFFAOYSA-N 443.939 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(CN2CCOCC2)CCCCC1 1740559213 YXHJGSKKFMKJEC-HXUWFJFHSA-N 442.608 2.141 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1740589999 DXBNLLJMGOKMJA-GBESFXJTSA-N 449.621 2.115 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1740594868 YQJBJMAEKUTECK-IBGZPJMESA-N 449.559 2.372 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1740609382 YFKCXNHSGRHKIZ-SJORKVTESA-N 430.553 2.478 30 10 IEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1740627728 JZSZWIYGLMPIHA-LJQANCHMSA-N 446.573 2.137 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOc2ccccc21 1740639630 DOLVKBYXJPCROC-OALUTQOASA-N 438.553 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C2CC2)CC1 1740647713 YXEWBQQIYJSNJR-XMMPIXPASA-N 425.577 2.268 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CC=CCO2)n1 1740689742 ZYPSMRZGVASQFR-NHCUHLMSSA-N 440.548 2.348 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O 1740729126 AJXLZLXNAWWQPD-JOCHJYFZSA-N 440.573 2.480 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740888862 JTHSNOHGKQPUCP-WNRNVDISSA-N 425.599 2.496 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740958337 NKAUUNCJXULJFJ-HNAYVOBHSA-N 445.486 2.352 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740961718 XGWQXFMLLYICOM-UHFFFAOYSA-N 443.511 2.015 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2c(C)cccc2C)C1 1740982191 ZJMHBNNBGBXBLI-ROUUACIJSA-N 438.532 2.266 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccn2)C1 1740982791 XCBYQZMZTCLBQB-ZWKOTPCHSA-N 445.589 2.334 30 10 IEEE C[C@@H]1CCCCN1CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1743060195 AUOSPHKOYBQMRQ-GCJKJVERSA-N 431.560 2.497 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)CCOC 1747193988 RTWCCRZLQZKNRR-UHFFFAOYSA-N 427.553 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCn1c(C)nc2ccccc21 1748888064 NENPFUYWUZBFOH-HXUWFJFHSA-N 429.528 2.441 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749037726 HLRLNDKARHORHN-KRWDZBQOSA-N 429.594 2.241 30 10 IEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1749038105 OTMBRPRKQYJWAA-GOSISDBHSA-N 449.602 2.054 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1749048604 RUSJQTAKDXEVCK-UHFFFAOYSA-N 429.594 2.493 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1749284194 HKAWETAEYGEMMC-NRFANRHFSA-N 447.971 2.416 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1749529332 CHUKJICDLTYHEY-LJQANCHMSA-N 449.577 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1749657898 FJRRHBJWSBTDEP-UHFFFAOYSA-N 436.560 2.356 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)nc2)C1 1749697933 ORHKJWUTYWXGEU-AUSIDOKSSA-N 442.564 2.221 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749713284 RHIPYRPARQXQIC-DVSFIDLUSA-N 428.537 2.174 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1750069326 GXQROJGJRBZAIF-RXVVDRJESA-N 446.559 2.336 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760187020 SMUHSYGVTSEDFZ-QAPCUYQASA-N 448.932 2.170 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)CCC)CC1 1760264845 XXRXOMQOKWKWDI-QHCPKHFHSA-N 427.549 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](C)C1 1760315694 HZANDIBBROEJPG-RZFLPCETSA-N 425.599 2.352 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760356678 UHOMBIOVLNXYDD-AEFFLSMTSA-N 444.511 2.404 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCCOC)CC1 1760380896 RMLQULXPRZLGCS-UHFFFAOYSA-N 426.521 2.139 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1760412242 ITKIPWXMPRZZNT-KRWDZBQOSA-N 440.610 2.414 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1760449788 VBXOJHNRFDVAMT-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)C 1760484967 OYPKEQDYDGTPBP-GOSISDBHSA-N 428.512 2.333 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C)(COC)CC1 1760525645 MFOKTEWYUIZDJH-UHFFFAOYSA-N 437.548 2.072 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760526807 UHBUYYAHIVMJNQ-INIZCTEOSA-N 439.438 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(C)on1 1760553120 LQNQYAKDIPGZAJ-UHFFFAOYSA-N 431.518 2.487 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1760566222 ORRABYMEWJUION-LPHOPBHVSA-N 443.639 2.157 30 10 IEEE CCc1ccc([C@@H]2CN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CCO2)cc1 1762616065 VYOQXGDJDGFIMC-RZRVEKSFSA-N 436.516 2.253 30 10 IEEE CCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1764398860 NWSIVLRVCLVEGS-QFIPXVFZSA-N 425.537 2.322 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@H](C)O1 1765307473 HZIPZZBIFDKLEK-MOKWFATOSA-N 441.532 2.272 30 10 IEEE CCN1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1767117383 GJYBFABKLLLKTR-NKWDDMGQSA-N 449.559 2.310 30 10 IEEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cn1 1767471290 BXIXJCPTLBFATN-LJQANCHMSA-N 439.545 2.002 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccsc2)CC1 1768463878 AQCRPGHVDWEGQF-UHFFFAOYSA-N 435.557 2.137 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1769699225 SVHIHLKBHAIWGB-QGZVFWFLSA-N 448.955 2.304 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CC2)CC1 1850444590 WAGBCMGGSZTKFF-QGZVFWFLSA-N 444.482 2.318 30 10 IEEE Cc1ccccc1-n1cnnc1CN1CCN(CC(=O)Nc2ccc(CC#N)cc2)CC1 1851272964 CTXUCLXVNBYLQV-UHFFFAOYSA-N 429.528 2.398 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3C#N)CC2)c1 1851288039 OTRIKTCAFSRZCM-JOCHJYFZSA-N 438.553 2.369 30 10 IEEE COc1ccccc1[C@H]1C[C@H]1C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855689138 ALQPHPYEVYIQCV-HZPDHXFCSA-N 425.466 2.032 30 10 IEEE Cc1noc(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858293275 SUMIFBGTUSZLBO-UHFFFAOYSA-N 433.471 2.160 30 10 IEEE Cc1nc2ccc(C(=O)Nc3nnc(CCC(=O)Nc4ccc(C#N)cc4)c(O)n3)cc2[nH]1 1860889424 LUAMLBXQYSMQAY-UHFFFAOYSA-N 442.439 2.457 30 10 IEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861504107 HCKGOSIABMNOTP-OAQYLSRUSA-N 431.492 2.432 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(O)c1 1862606822 ALTDWGXSOAGOAH-IBGZPJMESA-N 427.409 2.094 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1862630320 QYJSHIQPSXPYRH-GOSISDBHSA-N 426.381 2.284 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(CC)nn2C 1865226291 VSRYPACXZJXZOB-SFHVURJKSA-N 426.517 2.083 30 10 IEEE C#CCOc1cn(CCCN2CCOCC2)c(CN(CC)CCc2ccncc2)cc1=O 1870560425 VOMWBTDNMZJOOP-UHFFFAOYSA-N 438.572 2.042 30 10 IEEE COc1ccc(Cc2nnc(SCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874351802 YCKWNPLQCYZSMK-UDWIEESQSA-N 429.458 2.458 30 10 IEEE CN(CCN1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)CC1)C(=O)OC(C)(C)C 1888388490 OPBUEARHDSDZGD-UHFFFAOYSA-N 431.489 2.320 30 10 IEEE CC(C)N(CC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1)C(C)C 1889064764 YUQWSTCEAFDBAD-FGZHOGPDSA-N 428.602 2.468 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1 1892021581 SNHCZROTYVAWEO-UHFFFAOYSA-N 441.438 2.016 30 10 IEEE C=C(I)CN1CCN(c2ncc(Br)c(OC)n2)CC1 1894393460 GORCQEYBGWKYFE-UHFFFAOYSA-N 439.095 2.318 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 1902435472 LFQFRBGSZRGXOG-QXAKKESOSA-N 436.574 2.393 30 10 IEEE C=CCn1ncc(NCC2(OC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2105976200 NQUOVTVTZOUZGW-UHFFFAOYSA-N 429.315 2.240 30 10 IEEE C=CCC1(C(=O)N(C)Cc2c(Br)nnn2C)CN(C(=O)OC(C)(C)C)C1 2124495141 PLZVIXIYYURFMN-UHFFFAOYSA-N 428.331 2.349 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2174786444 JUYICMVOPKJWFF-OALUTQOASA-N 429.498 2.229 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194175785 RCWCDKWUVRLJMV-BDJLRTHQSA-N 446.176 2.430 30 10 IEEE CN1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2224138308 ZDKDFQBPWUZXTO-MRXNPFEDSA-N 432.374 2.026 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254761773 NNVXPCKDIFVSSB-UKRRQHHQSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626786 KOGLHUSXBIEBAM-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)n1 2255636583 WFJJRAIIPNMQQG-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]21 2255657697 SPGHASPSNQVWPP-WMLDXEAASA-N 431.342 2.395 30 10 IEEE CN(Cc1ccccc1)C1CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2255819600 CPTSDNUWHTVTLB-UHFFFAOYSA-N 444.772 2.329 30 10 IEEE CON(CCNC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255829015 IPNGHYANNAVPDN-UHFFFAOYSA-N 435.330 2.218 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2256932874 KULTYGUVDOGGLK-IBGZPJMESA-N 425.290 2.386 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267148327 YAKRJYPHYDPDLJ-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267272831 DPAKQOGJWVCTTD-DOMZBBRYSA-N 441.259 2.052 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267511145 XQIBHROOFZOBCE-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267616726 YFECZOXOEDVQPZ-JKSUJKDBSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N[C@H]3CCC=C3B3OC(C)(C)C(C)(C)O3)C2)C1 2268892302 GJZSXQLSJGFSQB-SFHVURJKSA-N 447.385 2.374 30 10 IEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccncc2)o1 2330750135 NLAKCDFNPIWSIY-UHFFFAOYSA-N 428.474 2.253 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1 2331349251 DJGSRPXYLNDIAP-FQEVSTJZSA-N 433.574 2.436 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335449618 BTDNUCSTRNEKEH-HOTGVXAUSA-N 445.379 2.327 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2337291917 LLURZZFCOHBSSM-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 19354486 OZBRVWNCCGYIQL-UHFFFAOYSA-N 442.378 2.440 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@H]2CCCO2)n1 461063345 VJXHQPYAIQMTND-QZTJIDSGSA-N 445.531 2.204 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(c3ncnc4ccsc34)CC2)cn1 462100094 ZZOOENBEMYRGOE-UHFFFAOYSA-N 431.485 2.498 30 10 IEEE COc1cc(CNC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)ccc1C#N 462473765 KYGLIWABTAZBPO-UHFFFAOYSA-N 427.549 2.091 30 10 IEEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 482504609 HVXKQKKCMZLPRP-SFHVURJKSA-N 447.561 2.205 30 10 IEEE CCC1(CC)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1OC 482725278 VHNSMSSQHDHOBL-RTBURBONSA-N 434.562 2.168 30 10 IEEE N#CCCN(C(=O)CCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1)c1ccccc1 495832098 MEIIRJWZEULDEC-OAQYLSRUSA-N 440.544 2.343 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2C1=O 504118728 IQGGYRNXVOPTMJ-FQEVSTJZSA-N 428.448 2.266 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 508914841 VBUNDRBSDKLWAZ-UHFFFAOYSA-N 430.940 2.147 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCc4c(F)cccc43)CC2)cc1 520053730 WBDQBRBPBUXVPG-HXUWFJFHSA-N 428.489 2.401 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2C(=O)CSc3ccccc32)c(C#N)cn1CCOC 538537784 PANIGFZNZJYNMN-UHFFFAOYSA-N 442.497 2.260 30 10 IEEE COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 561748126 FZTMNLPPIQKBJQ-UZLBHIALSA-N 448.479 2.354 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 563484824 AWDJQKSZVMYLFD-GOSISDBHSA-N 435.536 2.382 30 10 IEEE COc1cc(-n2cnnn2)ccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCC2 586268055 GZINHHOWOKVKPI-UHFFFAOYSA-N 438.469 2.278 30 10 IEEE CCn1c(O)nnc1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 590175843 HBGLRKPYFQZEEW-UHFFFAOYSA-N 429.424 2.462 30 10 IEEE COCCN1CCC[C@@H]1CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609045628 YXRBNRFALBCAAY-QGZVFWFLSA-N 427.505 2.250 30 10 IEEE CC/N=C(/NN)Nc1cc(I)cc(I)c1 690323629 XOZSZLKDPBYOLW-UHFFFAOYSA-N 430.031 2.147 30 10 IEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(NC(=O)C3CCCCC3)CC2)C1=O 725773276 UBVJGAZWYIWAQL-XMMPIXPASA-N 437.544 2.444 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 726575675 XRDQIULELFZCOU-WBVHZDCISA-N 442.585 2.159 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@H]3C)n(CCC)c2=O)cn1 735069618 XTBJBLQRZCGKPR-VQIMIIECSA-N 441.601 2.124 30 10 IEEE CCS(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 735764937 IYLNQRGJEQRYAN-UHFFFAOYSA-N 426.903 2.265 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)NC2CCC(C)CC2)CC1 739849533 BGWQLLKTYNSKKL-UHFFFAOYSA-N 435.576 2.395 30 10 IEEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 741448729 FCRMPZZZPBTPCM-SIIHOXLZSA-N 432.546 2.213 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)CC2)o1 745226839 AJXRQDQSMJCLIT-HOCLYGCPSA-N 430.411 2.128 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)OC)c1 749623028 VHNPYMJBVVDRMZ-QGZVFWFLSA-N 428.510 2.050 30 10 IEEE CCOC(=O)c1c(NC(=O)COC(=O)Cc2cccc(C#N)c2)sc(C(=O)NC)c1C 750430954 UGNAOQSBIPJAIP-UHFFFAOYSA-N 443.481 2.189 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(CO)C(=O)O 757439558 ZCVQNQNCGXECMI-RDPSFJRHSA-N 438.480 2.422 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757442860 BDDZTDODVHWVCW-BHIFYINESA-N 448.475 2.133 30 10 IEEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 765278628 KNXBMTVKGJXGTA-JKSUJKDBSA-N 440.525 2.229 30 10 IEEE C#CCN(C(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 774057051 AIJAFAJGFRRFIO-GOSISDBHSA-N 448.520 2.454 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 781650400 XZGZLAMCCIEGIQ-SFHVURJKSA-N 440.569 2.129 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1ccc(Cl)nc1 783958611 WTUZXKULWPFPTN-UHFFFAOYSA-N 436.909 2.221 30 10 IEEE C#CCC1(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CCCCC1 788244578 NAEKVFIPWZYUGW-FQEVSTJZSA-N 425.577 2.342 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 788948544 CBLRQYNEUSOQQL-SFHVURJKSA-N 433.553 2.321 30 10 IEEE COc1ccc(S(=O)(=O)N2C/C(=C/c3cocn3)C(=O)/C(=C/c3cocn3)C2)cc1 790219184 GLBYITWSFJUAIK-GEMWTQJRSA-N 427.438 2.412 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 794626662 VCNZCZRWMLQGTG-MRXNPFEDSA-N 440.546 2.306 30 10 IEEE N#Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccn1 795967952 UOFZRNNUKLMDBJ-UHFFFAOYSA-N 442.497 2.313 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800776762 CRDWMABEDVOQGE-UHFFFAOYSA-N 428.562 2.324 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccccc2C#N)CC1 806465609 XWSCRSHMGYHWLN-SFHVURJKSA-N 444.532 2.443 30 10 IEEE CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)[C@H](O)c3ccc(C#N)cc3)ccc21 817583365 YYBZIWYDLZDPLB-GOSISDBHSA-N 429.379 2.232 30 10 IEEE C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)N(C)CC(=O)NC1CC1 920636182 SNDWJXRZQADCBQ-INIZCTEOSA-N 435.480 2.420 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccccc2O)n1N 1084408096 QJXATJJHMMNLLV-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE Cc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084520610 TVWZULYRKLIMSL-UHFFFAOYSA-N 442.549 2.486 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 1124832532 ONWKYPBICQRNOL-UHFFFAOYSA-N 433.574 2.356 30 10 IEEE N#C[C@]12CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@H]1CS(=O)(=O)C2 1134428782 BBYBSGRXAKMOHZ-APPDUMDISA-N 425.297 2.189 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C3=CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1138262372 FKIRKRHPQSCAJX-UHFFFAOYSA-N 428.537 2.206 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)Nc2ccc(I)cc2C)CC1 1170324568 QJPIADPXLBLXLT-UHFFFAOYSA-N 441.269 2.317 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1 1170344764 AGXRDMCKXSLEMX-NVXWUHKLSA-N 435.546 2.116 30 10 IEEE CN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)[C@@H]1CCC[C@H]1C#N 1175250366 RWULRKVGUMZEOV-AZUAARDMSA-N 430.574 2.374 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1OC 1191951884 FRRAPUGOYLYWNA-UHFFFAOYSA-N 443.525 2.296 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1286305239 LAKQMHKHVILHGI-QGZVFWFLSA-N 444.499 2.348 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286335513 TYEAGJCIUMTWHZ-UHFFFAOYSA-N 449.552 2.318 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC1(CS(C)(=O)=O)CC1 1286414854 BKETXDRGRYVVGV-UHFFFAOYSA-N 426.542 2.063 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1286452725 KPIJWXUAEOGOFP-UHFFFAOYSA-N 428.556 2.482 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)cc2OC)CC1 1286480912 QYMYHRHCMZWPRO-HXUWFJFHSA-N 425.533 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2CC(C)(C)C2)CC1 1286488736 SDWYITLVXAVQIO-KRWDZBQOSA-N 431.581 2.404 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1286505072 UWKJYKKXPGCCPC-HZPDHXFCSA-N 438.557 2.172 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](C(N)=O)C1 1286510468 UAIOSVZVAWREQM-GOSISDBHSA-N 427.574 2.488 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1286762516 HWBGFRVNFOVXBC-SFHVURJKSA-N 438.488 2.169 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCOCC2)C1 1286782786 GKEXDQRFOGHCGB-UHFFFAOYSA-N 449.914 2.426 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H](C(F)(F)F)O1 1291217580 DVVXVFHQRKAIPE-SUMWQHHRSA-N 448.449 2.499 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)C1 1300020396 GZVBTZDIEONXKM-WOJBJXKFSA-N 440.544 2.176 30 10 IEEE COc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1300046666 DDJRLMFPKRSWIU-UHFFFAOYSA-N 441.513 2.480 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(CC)C2CC2)CC1 1300685679 RWIDPVSXZBPBHD-UHFFFAOYSA-N 446.397 2.275 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)N1CCOCC1 1300889949 DNTUKUIYTAWIKF-RXVVDRJESA-N 445.589 2.207 30 10 IEEE COC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1)OC 1301013955 YDCUSSCWMFCHAR-KBPBESRZSA-N 436.310 2.098 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCOCC2)CC1 1301064291 SVVDLVAOCJBFRG-UHFFFAOYSA-N 425.537 2.194 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1301399546 PRPJKKCXRLCDSG-YADARESESA-N 439.560 2.289 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1301422239 DCLWBAQFRZPACC-OAHLLOKOSA-N 425.459 2.258 30 10 IEEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1301594767 JKLXDRHNKUJVIT-MRXNPFEDSA-N 427.582 2.475 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CCc1nnc2n1CCCCC2 1303346805 BQOLSDKSQAFZLH-UHFFFAOYSA-N 439.568 2.107 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC 1303687768 RWBAPSYJWHXVJS-MAUKXSAKSA-N 426.510 2.241 30 10 IEEE O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252882 ROBVPIHYEASAKF-JEZHCXPESA-N 446.298 2.392 30 10 IEEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1304502176 DWQADNONGYQRQB-ROUUACIJSA-N 446.577 2.043 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCCC2)cs1 1304675379 HUSJHBCXAVKYTQ-SFHVURJKSA-N 443.577 2.155 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N 1309853725 GTQYLOIBJCQJTL-UHFFFAOYSA-N 448.501 2.490 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(Br)cc1 1312127276 GQFBYUJSCNPNPJ-JKSUJKDBSA-N 430.306 2.270 30 10 IEEE COc1ccc(CNC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)cc1C#N 1313212013 HHPDBBAJKOWCGH-UHFFFAOYSA-N 431.537 2.355 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@](C)(O)C1CC1 1316089219 BNYLRUPFQXINQB-CVDCTZTESA-N 425.533 2.468 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 1323975381 QXHICTNHJYVJHG-HOTGVXAUSA-N 431.566 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1358885088 CORTXJNNLQELEF-UONOGXRCSA-N 428.443 2.074 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1-c1cnn(C)c1 1358970858 ZHGGWNGWJZWBMP-RUZDIDTESA-N 444.539 2.452 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359067999 KJKAXZDMLMEBES-CNRFCZHISA-N 441.495 2.335 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359209871 BQXPGIQXLXLTOU-PKOBYXMFSA-N 443.573 2.372 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1359301573 CKQJFGLDKPYQRE-UHFFFAOYSA-N 437.523 2.428 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 1446930454 RXKRKFZQGOCVLB-BZSNNMDCSA-N 435.590 2.395 30 10 IEEE C#CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 1452174050 FTQCEQQHPVELLQ-FQEVSTJZSA-N 432.586 2.389 30 10 IEEE CN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nc2)CC1 1457539734 DOMCOJALQNUPQI-MRXNPFEDSA-N 438.919 2.350 30 10 IEEE COc1ccc(-n2cc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)nn2)cc1 1457670170 SUCTZUUPUXMAQD-SFHVURJKSA-N 428.493 2.479 30 10 IEEE Cn1cc(C2=NC[C@H](CN3CCN([C@H](C#N)c4ccc(Br)cc4)CC3)O2)cn1 1459895594 IZODPRRFJVZRHE-RTBURBONSA-N 443.349 2.210 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 1460666792 PFBVDWZKMKSNGI-NJYVYQBISA-N 447.624 2.400 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1462352605 AUSLNHYVLYJLQT-GOSISDBHSA-N 426.494 2.167 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)c1 1464256907 BYXWZQKXDJPCGJ-LNUHTHKGSA-N 430.534 2.242 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN(CC)C(=O)OC(C)(C)C)s1 1464787438 ARKLKHURDAXNDN-UHFFFAOYSA-N 431.580 2.128 30 10 IEEE CC(C)(c1nnc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)o1)S(C)(=O)=O 1465588265 SMZKGZULJIUTFZ-LLVKDONJSA-N 432.380 2.243 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 1467468959 FZYRNVCFJGVDFB-LJQANCHMSA-N 438.505 2.342 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cs1)C(N)=O 1471226085 DSVNQAUYNPEREH-LBPRGKRZSA-N 433.534 2.011 30 10 IEEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1471659745 DWYHISXEANHWNL-CYBMUJFWSA-N 434.543 2.113 30 10 IEEE CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1471990598 NJFGLGMURNPWNW-QGZVFWFLSA-N 448.589 2.191 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1501204255 MBRRAAMIHOKOMI-VQTJNVASSA-N 438.532 2.148 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C[C@H]1C 1502262802 DUGCBDZVGBMRHA-IAGOWNOFSA-N 449.563 2.317 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1505022005 ZVDXFOONGRHCTO-QPHCHLROSA-N 443.573 2.360 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNC(C)=O)CC1 1507578328 WNEWSXOUEGXKDA-UHFFFAOYSA-N 443.573 2.115 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1507591980 PHNUNTKKKDPOKP-FQEVSTJZSA-N 439.560 2.405 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1Cc1cccnc1N1CCOCC1 1507620794 VOHNOVSHGUTIPS-UHFFFAOYSA-N 432.528 2.227 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1507687237 LLKFUTYJPWAUAZ-UHFFFAOYSA-N 447.543 2.180 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@H](CO)O1 1507706451 MAIOLIHAROHOMH-ZWKOTPCHSA-N 449.349 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C)CCCC2)CC1 1507735787 GZRPVOYZUFBIBW-XMMPIXPASA-N 443.592 2.476 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507752374 WDQOOOFVYLOUGQ-UHFFFAOYSA-N 443.474 2.124 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1507801910 YXQLJUNNHKCYOI-PXNSSMCTSA-N 425.537 2.163 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnccn1 1507806775 JJWCQFPKSJCALG-BWPNAZKDSA-N 428.537 2.410 30 10 IEEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1507905473 AXGLKWHEAXXHBK-UHFFFAOYSA-N 428.562 2.388 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1516058453 CYIVNSKHWMSDLU-GOSISDBHSA-N 445.568 2.301 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COCCOC)C1 1517430063 IUTUBNRVMXJDJM-GOSISDBHSA-N 440.548 2.078 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CSC[C@@H]3C(=O)N3CCCC3)CC2=O)cc1Cl 1530202293 CTGYTPBNCBGQDO-RHSMWYFYSA-N 432.933 2.088 30 10 IEEE COc1cc2c(cc1OC)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCCC2 1536514971 GEJJOKBMJCFOCO-QGZVFWFLSA-N 443.525 2.326 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539059433 FSIHAJRKNONIEC-DENIHFKCSA-N 437.592 2.076 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1541089012 RMMGGCYNXYRUQY-UHFFFAOYSA-N 437.548 2.226 30 10 IEEE COc1ccc(C(=O)N2CCC(NC(=O)c3cnn(CCC#N)c3C)CC2)cc1OC 1543332984 FCIQBVTYZLTODB-UHFFFAOYSA-N 425.489 2.157 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(N)=O)CC2=O)cc1Cl 1544068200 BVXWTIUKTBGUNU-KSSFIOAISA-N 445.306 2.431 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)C1 1547222306 FQXAIGRKIIYZSQ-WOJBJXKFSA-N 440.548 2.221 30 10 IEEE COCCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1555595415 PUTYYZJSWGDACJ-HNNXBMFYSA-N 441.561 2.304 30 10 IEEE COCCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555717961 WLBRNOZJOFOOLS-HSALFYBXSA-N 438.532 2.026 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCCO)C1 1555985252 LOLFZGXNFKDMGZ-JOCHJYFZSA-N 442.543 2.447 30 10 IEEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 1562632885 LZYQERMYCXGZIK-QHCPKHFHSA-N 435.528 2.420 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1587677677 KKUDQBXBWMKMJV-WCJKSRRJSA-N 430.553 2.286 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)OCCc2sccc21 1588671985 AEDOALGQEZDFEU-JOCHJYFZSA-N 443.573 2.036 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589546144 PDIGGEUAWWZZGX-XLIONFOSSA-N 427.553 2.337 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1594023492 JVMKHGXTLUTCNZ-URXFXBBRSA-N 446.640 2.360 30 10 IEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1594626578 NAMWHFCTEKQOGP-WIYYLYMNSA-N 441.532 2.488 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@@H]1C 1595239541 MMWWAMFGCSVYHH-HFJQGTKSSA-N 425.533 2.004 30 10 IEEE COC(=O)[C@H]1CCCN(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)C1=O 1598304387 QIJBCBOXCABYPA-CJNGLKHVSA-N 425.407 2.358 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1615095274 BCSGRXMGJRPZAY-UHFFFAOYSA-N 433.516 2.343 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615884752 GDNSNAFVYQQRLO-CTNGQTDRSA-N 429.613 2.013 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cc(C)cc(C)c2)CCOC1 1616261622 HWQFKANCYVDDBM-REWPJTCUSA-N 441.532 2.355 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)C[C@H]1O 1618888145 FEYHTAISALZQII-ZHALLVOQSA-N 439.516 2.135 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1619817560 MSZUOURRJNMSBP-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1620024405 IDTDTRBMFGIUHF-APWZRJJASA-N 429.521 2.007 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CCO1 1620356329 WXKUTWFUSDHDDH-RBUKOAKNSA-N 431.924 2.447 30 10 IEEE C#CC[C@H](CO)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC 1625386403 BGVWKWGQLIYSPG-QGZVFWFLSA-N 437.521 2.046 30 10 IEEE CC(C)CCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1627321220 HBLAMLOPXCISPL-KURKYZTESA-N 441.594 2.445 30 10 IEEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)C(=O)OC 1629617825 ZWBUDVRSXCQQNR-HNAYVOBHSA-N 426.494 2.121 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CSc2nnnn2CC(F)(F)F)CC1 1630737609 SVGCWWWMHWOYDZ-UHFFFAOYSA-N 425.440 2.302 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1632944380 YMKVXZBLRSTDKG-HOTGVXAUSA-N 429.525 2.069 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3ccc4c(c3)OCCCO4)C2=O)cc1 1634918548 JHASRLBAYRXSNT-HXUWFJFHSA-N 434.496 2.362 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1)c1cc[nH]n1 1636426738 RPHKCXRDTMCNRX-GOSISDBHSA-N 444.488 2.201 30 10 IEEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)COc1ccc(C#N)cc1OC 1637096222 DVEGUGDPFIQSBB-KRWDZBQOSA-N 433.505 2.430 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](N4CCCC4=O)CC3)ccc2c1=O 1637985361 UIIFXVBERLACCY-INIZCTEOSA-N 426.542 2.488 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1cccc(F)c1 1641557086 BYCRFIQWXSDMPG-HKUYNNGSSA-N 447.532 2.143 30 10 IEEE C[C@@H](CC(=O)NCc1ccc2c(c1)OC(F)(F)O2)/N=C1/NS(=O)(=O)c2ccccc21 1643474947 AHRCRRLLVWTEOZ-NSHDSACASA-N 437.424 2.142 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1644462380 NJFDGKDJDNVKMR-QGZVFWFLSA-N 448.589 2.124 30 10 IEEE C=CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1651023853 TYRLZISRXUEYJU-IUODEOHRSA-N 436.452 2.386 30 10 IEEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F 1661583294 GGWRBMGLVMRQMB-UHFFFAOYSA-N 440.518 2.468 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(N4CCCOC4=O)CC3)C2=O)cc1 1681302063 UVMGPIWVUVGOMV-LJQANCHMSA-N 425.489 2.070 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)CC2)c1 1683533328 YZWAFQPBCMRCSF-UHFFFAOYSA-N 449.515 2.358 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)CC1 1684730994 CROPHZXPWXGQTR-UHFFFAOYSA-N 435.484 2.347 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690045298 IQMLWQQEKUJPKY-OAQYLSRUSA-N 440.569 2.228 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCC1 1690055162 OVMKZZYJGGCWAS-UHFFFAOYSA-N 444.532 2.426 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1690239515 XSIFYOOXVPEGIF-YVSFHVDLSA-N 443.639 2.201 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](COC(C)C)C1 1690244096 SWWWGMKCXTUBMT-HBFSDRIKSA-N 428.537 2.347 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)Cc1cccc(F)c1 1690532486 OTLDPYWSKOVVEY-UHFFFAOYSA-N 425.512 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OCC=C)C1 1690661986 NIEUCGQINPDDRU-OAHLLOKOSA-N 449.353 2.130 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2OC)CC1 1690663899 HWAXVDLQYWWYGF-UHFFFAOYSA-N 436.516 2.484 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690746894 MOIMCXGGEALFDX-LAUBAEHRSA-N 429.546 2.412 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1692561520 HMCJIBCBESPVCT-UHFFFAOYSA-N 432.532 2.459 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccco2)N(C)C)cs1 1693360990 JQDMKJPNZCEZMI-IAGOWNOFSA-N 427.534 2.259 30 10 IEEE Cc1nc(CCn2c(-c3noc4c3COCC4)nnc2N(CCC#N)CCC(C)C)n[nH]1 1693365224 NSJZVWYFLCGOOG-UHFFFAOYSA-N 439.524 2.441 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1694551282 JZJGPSFOIPQIMC-UHFFFAOYSA-N 441.513 2.167 30 10 IEEE CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696231282 UALQGDGBZNPRDU-HNNXBMFYSA-N 426.521 2.380 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1698023955 GQQWDSFFWVZEJV-UGKGYDQZSA-N 437.592 2.458 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705562393 BGFGUFVLWWXPAR-IMFGXOCKSA-N 444.557 2.005 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705568583 QPBAXOXNZAWJNK-RBUKOAKNSA-N 446.573 2.136 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(O)(CC)CC)CC1 1705640125 GDAZTJPJLNITKL-FQEVSTJZSA-N 425.533 2.097 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)c(COC)c2)CC1 1705640826 HQOGAFUCPUKCFO-UHFFFAOYSA-N 434.519 2.353 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705660302 ROKNJSBGVHNODY-QGZVFWFLSA-N 429.546 2.094 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705685484 AYKXFKKTYXPFGZ-RDBSUJKOSA-N 426.315 2.363 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1705869107 MDMMLHGGZKVEKP-XUVXKRRUSA-N 430.597 2.495 30 10 IEEE CCCNC(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1709831947 XLULXYNKOLYEBO-MOPGFXCFSA-N 430.516 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCS1(=O)=O 1722282152 XFXCROFNWJTYQZ-QGZVFWFLSA-N 438.557 2.295 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCCN1CCC(O)CC1 1722301802 NQRHLMNHMYMWSE-LJQANCHMSA-N 425.577 2.377 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1722455831 XAEIIEVJLBKPGF-QGZVFWFLSA-N 443.573 2.421 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(N)=O)CC1 1722530106 NOMCVFQZNIFFHF-UHFFFAOYSA-N 427.505 2.011 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722608083 TUGRVYVNKOCZGA-FQEVSTJZSA-N 429.613 2.085 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1722626797 PTBHXCVNHJOYFE-UHFFFAOYSA-N 426.565 2.481 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1722673316 OJKRATVZRXRHRR-LJQANCHMSA-N 433.578 2.256 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2noc(CC)n2)C1 1722720691 OIXVWNPWQMNMHY-KRWDZBQOSA-N 426.525 2.109 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1722742903 KJUCPCYYLUEKRS-UHFFFAOYSA-N 434.610 2.061 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1723885364 FXJJROGSHGVHIM-GFCCVEGCSA-N 434.909 2.376 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)CC1 1724016531 ZQILDNGHDJLXEU-UHFFFAOYSA-N 445.329 2.243 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)[C@@H]1C 1726626307 BRYDIZJQHUPMSZ-DLBZAZTESA-N 438.532 2.246 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1728172395 PNZVLHLKIYBVRO-DVECYGJZSA-N 449.559 2.038 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730696358 BIPXYNCTIFYJEM-UHFFFAOYSA-N 445.531 2.093 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1740558206 DIFXAHHKKHQEFO-QGZVFWFLSA-N 433.603 2.372 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1740626945 XCIZPGVSUJPQSO-CYBMUJFWSA-N 442.463 2.256 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccco1 1740648927 MDKMSHXFLHGSSS-DHIUTWEWSA-N 426.517 2.282 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(Cl)c1 1740657599 UDFWPUGDRTZOJR-QGZVFWFLSA-N 446.960 2.376 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1Cc1nnnn1CC1CC1 1740659661 YVTRHTLULGXKPM-UHFFFAOYSA-N 430.516 2.073 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740792658 KBKIEIXJVJMJBR-CQSZACIVSA-N 441.458 2.211 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1740864267 LKDJINLTQDWATB-GOSISDBHSA-N 437.610 2.279 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1740926853 LWILUIAFPCQVHP-VQTJNVASSA-N 430.597 2.149 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1740965442 PEQSFMUMSSUBDT-WZONZLPQSA-N 443.523 2.365 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741983665 DBZPZXOJLOFUDO-WOJBJXKFSA-N 449.964 2.278 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1748077766 GOVSIMLBXLOYCD-SFHVURJKSA-N 449.559 2.084 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1748730385 LBQZIOWOBUAMBQ-NFBKMPQASA-N 442.564 2.144 30 10 IEEE C#CCCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748731110 UPHBFBFZBSFJIM-HSZRJFAPSA-N 439.564 2.239 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1nc2c(s1)CCCC2 1748900313 DGHXDFGWZJRBGL-UHFFFAOYSA-N 436.585 2.441 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C(N)=O)nc1 1748915071 OTPOLCHEKNJCNC-UHFFFAOYSA-N 426.484 2.337 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCc1nc(C)no1 1748944631 APQDHTHFLUZGKZ-GOSISDBHSA-N 437.479 2.332 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1749078343 IRMGLLBYIUPKPF-NLSFWIRASA-N 426.517 2.398 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1749488925 PDVZCDSLQBPNNU-QGZVFWFLSA-N 447.586 2.496 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 1749671533 DKEDWLTXKDBJHA-UHFFFAOYSA-N 442.539 2.005 30 10 IEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1760187211 CBNWKQKHUAOBFY-KRWDZBQOSA-N 441.557 2.100 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CC)CC1 1760197136 QVAFOZCRGOPQNQ-UHFFFAOYSA-N 425.558 2.458 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@@H]1C 1760277728 RHYBJKMGUHHTDG-HNNXBMFYSA-N 426.575 2.229 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1ccco1 1760287742 DQLXAKKPFDCGAB-JOCHJYFZSA-N 426.521 2.212 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCC1 1760502581 DRVAOGIFKPLGEN-UHFFFAOYSA-N 448.593 2.182 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 1760542987 PGTJKJQOBFXVRL-PMACEKPBSA-N 425.533 2.222 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)cc1 1764492457 QXJGHQCTOMPZOW-OAQYLSRUSA-N 434.500 2.362 30 10 IEEE CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1764811544 JVNFKIURTCRRJL-OAHLLOKOSA-N 446.558 2.160 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1767426235 JUKFTIAMDVTTJU-UHFFFAOYSA-N 435.456 2.141 30 10 IEEE CN1CC[C@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C)(C#N)CC2)C1 1769064053 USHYUYPIJLDOEQ-JOCHJYFZSA-N 430.503 2.344 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1(C)C 1769113505 LMUKQHHYPRAWOD-XMSQKQJNSA-N 443.573 2.458 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1770986727 FENHDWFUXOAVQR-HOIFWPIMSA-N 429.521 2.130 30 10 IEEE N#CCCN(c1cccc(Br)c1)S(=O)(=O)CCN1C(=O)CCCC1=O 1848895321 APYKPXSFUHGCNP-UHFFFAOYSA-N 428.308 2.038 30 10 IEEE COC(=O)[C@H](NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccn(C)n1 1850370191 ZABKFOCOWURTSN-HXUWFJFHSA-N 432.484 2.087 30 10 IEEE Cc1cccc(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1C 1851203031 ANVLACWBAWUCEQ-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE CC(C)N1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851370745 WEDGNZVCMLIZKL-JOCHJYFZSA-N 440.569 2.000 30 10 IEEE C=C1CCC(C(=O)N2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(C)cc32)CC1 1851905323 YYFFDGJBEYRWFE-UHFFFAOYSA-N 431.514 2.034 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cc2ccc3c(c2)OCCO3)cc1 1853074322 YDUVPVXCXHMIMY-OAQYLSRUSA-N 438.480 2.195 30 10 IEEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H](F)CC(F)(F)F)CC1 1855862638 PDNUQXHFJMNJKX-AWEZNQCLSA-N 447.410 2.317 30 10 IEEE CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(NC(=O)c2cccc(C#N)c2)cn1 1858257618 PYOOYKSNAJPECD-UHFFFAOYSA-N 439.431 2.465 30 10 IEEE CCOC(=O)N1CCC(N[C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860608499 STKYPCQBLBLUMY-JOCHJYFZSA-N 445.560 2.472 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(=O)OC)cc1 1862630909 DNDPVGUWRDECCZ-LJQANCHMSA-N 439.420 2.427 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c1 1870139629 AYIXYIQYKNLTJA-UHFFFAOYSA-N 447.499 2.160 30 10 IEEE CNC(=O)COc1cn(CCOC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870303184 IVFBMLCBVILBRG-UHFFFAOYSA-N 430.530 2.104 30 10 IEEE CN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN1C(=O)CSC1=O 1870350414 FFVJABWWVCXZNW-UHFFFAOYSA-N 426.498 2.056 30 10 IEEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN1CCN(CC)CC1 1870413749 FOVRELPCOUGLMU-HXUWFJFHSA-N 438.572 2.428 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCC(O)CC1 1870739542 DTWDRBFWAUGBML-UHFFFAOYSA-N 427.501 2.017 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(NCCOCCO)ncnc2n1Cc1ccco1 1875236363 LEGCFNDUUUJAAY-UHFFFAOYSA-N 425.489 2.308 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)[C@@H]21 2060635894 QJJZXPGUFMPPAT-QROFKTNTSA-N 434.342 2.171 30 10 IEEE C=CCn1ncc(N[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2162349456 XFDVMSWMFLJBHI-QZKOUSHUSA-N 441.326 2.284 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2224101212 HJNQDWWZEIPYCV-IKGGRYGDSA-N 431.342 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)[C@@H](N)C#Cc2ccccc2Br)C1 2227476027 OAKMRDPKBCUUBT-BBWFWOEESA-N 425.323 2.125 30 10 IEEE Cc1c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255532734 OHUMETPCPQNDQG-INIZCTEOSA-N 426.370 2.278 30 10 IEEE CC[C@H](CN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255615188 PGOYADBTJLMKIA-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256621827 ZJMYEQCTFSBXFW-RHSMWYFYSA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)nn1 2259051530 NSHYVZYFCGEZJW-UHFFFAOYSA-N 435.334 2.045 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 2267150186 BKTSEFWAWHZMAV-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)n1 2267179316 OGVSBNNWHLKNKS-UHFFFAOYSA-N 438.381 2.361 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188573 OCDKVDOKPPPUFC-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2267235257 HTTKYCONMXHZET-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267274136 WCNRMTWBEXYKLW-YJBOKZPZSA-N 443.353 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H]2COC[C@H]21 2267561002 JYYZLGVMUQTBSS-LSDHHAIUSA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCOc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267817418 BHELZRJDYIXXES-UHFFFAOYSA-N 447.385 2.500 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268670749 XSWJXJDNANHEQS-CABCVRRESA-N 447.341 2.249 30 10 IEEE C[C@@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268710877 JNBMGOUHPMAAFF-QAPCUYQASA-N 448.369 2.439 30 10 IEEE O=c1c(Cl)c(NN=Cc2ccc(Br)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 2322614704 UVCOYDQJCYOYPP-GFCCVEGCSA-N 445.726 2.465 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337201955 BSVGPZFSHJSZLT-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CCC[C@@H]21 2341941262 YXACNQNSZHZHAI-CVEARBPZSA-N 446.357 2.323 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2366839572 YPZPLEVSWWJPDE-WFASDCNBSA-N 439.306 2.478 30 10 IEEE CC(C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccccc1 22134704 VITDJPHTPIVAOH-UHFFFAOYSA-N 440.569 2.302 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CCCN(c3ncccn3)C2)nn(-c2ccc(F)cc2)c1N 25165934 DBYUVNSDJFRGQA-INIZCTEOSA-N 448.506 2.221 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C(/C)c3cccnc3)n2)cc1 59310441 XUFQTKYEQHIWOP-OYKKKHCWSA-N 425.518 2.495 30 10 IEEE CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc4c(c2)OCCCO4)[C@H](C#N)C(=O)N3)CC1 72461134 PBZWAVFDQAVOCS-MAUKXSAKSA-N 435.484 2.391 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)O[C@@H](C)[C@H]3C)nnc12 438406393 ZDUUTEJDVSDNER-ZNMIVQPWSA-N 427.530 2.347 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 463271887 HREQDVFZYIPFFK-UHFFFAOYSA-N 427.480 2.287 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 465673909 YTVMYCYVABQTKG-UHFFFAOYSA-N 428.514 2.221 30 10 IEEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482517564 ZQZWEPDNCPCVQX-BPAFIMBUSA-N 447.557 2.195 30 10 IEEE C[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCN1C(=O)c1ccccc1 489183351 MPHOVTVJCNSJBA-PXDATVDWSA-N 430.508 2.470 30 10 IEEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 508467970 ZXVHRIHNJLXSJI-UHFFFAOYSA-N 440.548 2.281 30 10 IEEE COc1ccc(OC)c(CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513786222 BXIYIQMDNCJLOC-UHFFFAOYSA-N 429.542 2.167 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)n1 562024821 MHKLAJGHJBJSJW-UHFFFAOYSA-N 446.467 2.325 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CCC3CCCCC3)n2C[C@@H]2CCCO2)CC1 566691775 LOWKZGCMABBLCI-NRFANRHFSA-N 444.624 2.394 30 10 IEEE CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(C(=O)CC#N)CC4)cc3C2=O)cc1 578877042 WGSXYGATFDBJKY-UHFFFAOYSA-N 446.463 2.084 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 581028966 NCOPFZLECITQHQ-JOCHJYFZSA-N 440.507 2.038 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)CCO3)c1=O 603990594 CHLKXVADBLHANJ-UHFFFAOYSA-N 445.544 2.170 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3ccc(F)cc32)CC1 609296017 GCVCEWGXQNBFGN-LJQANCHMSA-N 428.489 2.401 30 10 IEEE CCn1nc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c(=O)c2ccccc21 609814732 FRHPZPJTVPJSKC-GOSISDBHSA-N 433.493 2.442 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCSC1 729426834 ZIOIYMBTWBMAEG-HOTGVXAUSA-N 437.587 2.018 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2ccccn2)cn1 730145050 VZZLAQYNHCGBSJ-MAUKXSAKSA-N 443.577 2.059 30 10 IEEE CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732703762 KHTGKUTXBSOINH-QGZVFWFLSA-N 448.365 2.179 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706653 MCPGWKOWHYYPQU-GOSISDBHSA-N 430.468 2.191 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)c1 733075606 RKKWEAFMIQBRBN-PGRDOPGGSA-N 432.590 2.421 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)c2)s1 740502221 DJKBQCUPLHXLPE-UHFFFAOYSA-N 434.477 2.406 30 10 IEEE COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1Cl 740787097 WTQGIPORLHCLTA-CYBMUJFWSA-N 446.356 2.226 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccnc(C#N)c3)n2N)c1 746599849 CVTMFDIIRVGYOD-UHFFFAOYSA-N 443.558 2.248 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 756753690 VZGRUTKULTXEBA-ZDUSSCGKSA-N 445.335 2.164 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CCCCC1 760402832 XWSIKTMYGFDHOO-UHFFFAOYSA-N 442.423 2.215 30 10 IEEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 760963396 RGWSNOVJOOVSCY-INIZCTEOSA-N 449.573 2.476 30 10 IEEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)C1=O 777176397 ANIPGULGIHYHRD-DEOSSOPVSA-N 446.463 2.287 30 10 IEEE C=CCOCCNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 780815323 ZGHSZZYOCAORAR-SFHVURJKSA-N 444.557 2.432 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 782534152 CXWUTIMURCXPTN-ICSRJNTNSA-N 436.478 2.410 30 10 IEEE NS(=O)(=O)c1ccccc1N1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 790949732 YYNQWZHEWJTGFI-UHFFFAOYSA-N 437.443 2.053 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccc2nc(O)oc2c1 794905200 SCQGGCYEVQBKSZ-UHFFFAOYSA-N 429.502 2.306 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCO2)cc1 802693555 XHZXJTZKFQSBPM-IRLDBZIGSA-N 436.560 2.427 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@](C)(CO)c2cccc(O)c2)c1 808820158 VVKIIYAAJAEDOX-QBHDBVHESA-N 446.529 2.234 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 809886317 XHXCZLIXFLEWQZ-ROUUACIJSA-N 432.569 2.447 30 10 IEEE CN(C)S(=O)(=O)n1ccnc1C=NNC(=S)Nc1ccc(SC(F)F)cc1 814727640 RAZJKAKIHKRTCY-UHFFFAOYSA-N 434.519 2.173 30 10 IEEE CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1125851494 DVCVNRPAOPYQGO-YOEHRIQHSA-N 434.949 2.238 30 10 IEEE CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1130962444 KUMUTQXMQFDFLP-LJQANCHMSA-N 429.498 2.063 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)c1 1144539170 CLJFVDDWDIDSJU-UHFFFAOYSA-N 431.562 2.487 30 10 IEEE CO[C@](C)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)COCc1ccccc1 1146719063 GOACUBHPEWGJEX-OAQYLSRUSA-N 434.489 2.475 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)cc1 1156735295 ZZFCAFIPURXAEO-UHFFFAOYSA-N 434.427 2.429 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(OCCOC)c(Br)c2)CCOCC1 1195013099 ILAMFRMBJBUNDY-UHFFFAOYSA-N 432.336 2.325 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1198555029 VXDMNAVABNOWBJ-XXBNENTESA-N 433.597 2.154 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H](c2ccncc2)C2(CO)CCC2)C1 1225936556 FFVGUDWMYVTIRS-RCCFBDPRSA-N 429.521 2.344 30 10 IEEE C#C[C@H](NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1ccc(Br)cc1 1230498434 DKHACWKAVDOANX-IBGZPJMESA-N 447.377 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N1CCOCC1 1286280988 GNNJEBKDVCZPAG-OAHLLOKOSA-N 446.349 2.333 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCCC)CC1 1286349819 PHIOMQBTJIKJED-IBGZPJMESA-N 449.621 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1286398246 HWMJJESUCZCCMO-QFIPXVFZSA-N 432.572 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC1(S(C)(=O)=O)CC1 1286460247 LXEADPVNIPLSGG-UHFFFAOYSA-N 428.514 2.355 30 10 IEEE C=C(C)Cn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1286598425 IYWHNAICGJCBDZ-AVRDEDQJSA-N 427.553 2.402 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1286727490 RKGLEMMKTKORFC-HKUYNNGSSA-N 433.578 2.345 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1)C1CC1 1286731136 AKSYOWPUSSUVJI-UHFFFAOYSA-N 431.562 2.164 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1286745388 VHTLXELNVWTSKI-UZUQRXQVSA-N 443.523 2.386 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1286793320 VVRTYCYHYUPDCJ-INIZCTEOSA-N 429.546 2.180 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1286805865 XIZHQBHVNRNRPV-SFTDATJTSA-N 426.565 2.478 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1287758957 FPZDLUQQEKFJQF-IBGZPJMESA-N 442.589 2.029 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1288530827 ICYOEZZZXZKPSX-CJNGLKHVSA-N 445.911 2.237 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(Cn3ccnc3)c2)s1 1290725072 FFKCSJAOSNSRTM-UHFFFAOYSA-N 430.555 2.316 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1291296405 LYOTUNPOGIEQGD-APWZRJJASA-N 431.562 2.360 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)cc1 1291831352 CEXYJLMQZCELOD-MANHQWRXSA-N 430.534 2.456 30 10 IEEE CCc1nc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)no1 1292703869 WLHCMUDIXBQDGI-LJQANCHMSA-N 426.412 2.483 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c1 1293599392 XIKPKGCTQISFQC-UHFFFAOYSA-N 434.521 2.322 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)OC 1293991125 GOVPDPKSVAWCLD-LPHOPBHVSA-N 426.521 2.211 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1300356977 GSGXGZHRRJJDLS-IBGZPJMESA-N 435.507 2.370 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300380805 IVSILCFWCNFWMD-HDICACEKSA-N 431.924 2.125 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1300386764 UZUJXSCOLTYBGF-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300491456 HRAWQKZSWHRAHW-MRXNPFEDSA-N 427.530 2.090 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C1CC1)N(C)C 1300602356 CKWOPOYMGAHOSI-SFHVURJKSA-N 443.621 2.346 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1300603719 XQCYKXSPBVYQSA-QHCPKHFHSA-N 443.523 2.267 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2(O)CCCC2)n1 1300680424 AYCQZOSJXFMOED-HXUWFJFHSA-N 442.564 2.308 30 10 IEEE COC[C@@H](F)Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301069431 RYZIPVCXIYGUJX-INIZCTEOSA-N 432.548 2.091 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccccn1 1301478402 KBDGUSZCUMFRJU-UHFFFAOYSA-N 433.516 2.481 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2cc(OC)c(C)cc2C1 1301506739 QNGBEVREUOTYPK-UHFFFAOYSA-N 432.528 2.446 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1301553654 QEUPUFKWLLFHIY-QZTJIDSGSA-N 443.523 2.360 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1302027961 KDZPBHZZJRMNMU-VFNWGFHPSA-N 430.484 2.451 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1303641382 BAJVUWGHQLFSIS-APWZRJJASA-N 442.545 2.434 30 10 IEEE C[C@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1305017098 CALPTUAPUAKXMF-PKOBYXMFSA-N 448.637 2.431 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 1312725757 KMVJMPHPMIBKLJ-UHFFFAOYSA-N 442.497 2.101 30 10 IEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1313666066 HHJCVQHQNQTNBR-MJGOQNOKSA-N 439.564 2.161 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313953139 BMRXSPNLBYAVTJ-SIKLNZKXSA-N 433.576 2.032 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1314036579 HMYFMDBRZASTLU-QGZVFWFLSA-N 435.488 2.492 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1315081537 VVBYCHLGNGRDMM-OPAMFIHVSA-N 443.504 2.221 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)cc1 1315426068 DQWBGCMQOJYORZ-QGZVFWFLSA-N 428.493 2.207 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1315909610 BDNHLXRXRMSJGV-HXUWFJFHSA-N 437.592 2.315 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC1 1316103378 HTLWVGWKYZZVQP-KURKYZTESA-N 448.568 2.452 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1319585359 DCWVPQFIQHHHPJ-IQVOZAENSA-N 444.532 2.204 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCN(C(C)C)CC1 1358882055 RYDQZUKFLIEMMK-QGZVFWFLSA-N 425.533 2.367 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358961169 SLXIKOWXLQWEAZ-QGZVFWFLSA-N 442.932 2.064 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961621 BYYCMXLXODPRPW-WIYYLYMNSA-N 441.601 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1cccc(OCC(N)=O)c1 1358995990 NOUVFSNCLJYIQS-UHFFFAOYSA-N 433.537 2.306 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1359009242 LFDVECOMERIEGB-INIZCTEOSA-N 428.541 2.029 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(COC)c2)CC1 1359028368 PQTSCTIAHGJIGT-UHFFFAOYSA-N 438.576 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1359040444 VFVRRTJBJUIFKF-DVECYGJZSA-N 443.592 2.270 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359197094 CPDANWHJBXTWKQ-LJQANCHMSA-N 439.564 2.440 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cnccc1OC 1359280675 ARKRCLGMHIEVBJ-UHFFFAOYSA-N 426.477 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCCO3)C1 1359312669 ZDJOQJOXVLFRBK-QGZVFWFLSA-N 427.505 2.017 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(C)C)CC1 1359331672 FWIIZFYYJXRUMC-GOSISDBHSA-N 425.599 2.041 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3n[nH]cc3I)CC2)c1 1452692616 LUXSPNFTTBPAQS-UHFFFAOYSA-N 435.269 2.280 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc3ccccc3)C1)C2 1456731370 FFRSKVPEPPBSEA-INIZCTEOSA-N 444.582 2.329 30 10 IEEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1466047442 LOTVBJYIGUWMSZ-LJQANCHMSA-N 431.338 2.477 30 10 IEEE CC(C)c1n[nH]c(CC2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1469723803 DJAZGJIDIAPWPR-UHFFFAOYSA-N 433.509 2.459 30 10 IEEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(SC)c(C#N)c1 1479313125 MELICNYWCANBSS-IBGZPJMESA-N 426.542 2.453 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1496474169 ADEJIWQHEBPKLS-DFQSSKMNSA-N 443.573 2.374 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(N(C)C)CCOCC1 1496847919 FJUVBSZOPOLHPP-UHFFFAOYSA-N 445.612 2.437 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1503272748 BUEZMYBHWIVRSW-ROUUACIJSA-N 428.562 2.381 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1504026910 FNCGVUSPIZTCHO-IMRHEYAYSA-N 441.532 2.274 30 10 IEEE COCC1(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CCOCC1 1504631654 HSVPNOIXNSSTKB-OAHLLOKOSA-N 430.509 2.187 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507528187 LVDTXKVDRQXKBN-MSOLQXFVSA-N 438.557 2.414 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)c1ccccc1 1507694192 JMUCARRUUWAAQX-UHFFFAOYSA-N 426.546 2.073 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1507710502 HJMGOZLTPYKHCW-QZTJIDSGSA-N 435.569 2.371 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507751530 PBQWNTGUVSUDDF-WOJBJXKFSA-N 433.622 2.087 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1507841567 XIVYRSIORHQXOZ-GOSISDBHSA-N 427.505 2.371 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507967501 KOLRDMLCBGQADY-NJYVYQBISA-N 433.597 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)S[C@@H](C)C1 1508130816 JAIACSYMADZFQO-GJZGRUSLSA-N 443.639 2.128 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1508138909 AKRMCMKEQCFMSZ-INIZCTEOSA-N 444.561 2.485 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCNC(C)=O 1519406636 KIHMUHVBPQIFCI-PMACEKPBSA-N 426.521 2.036 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1Cc3ccc(C#N)cc3C1)n2C 1526773368 LYXYZZQNXDVPGR-UHFFFAOYSA-N 437.525 2.170 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1528714278 IUAGFAMYJDIFFE-CQSZACIVSA-N 430.306 2.196 30 10 IEEE Cn1nccc1[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)OC(C)(C)C 1531280963 KJJGETYRVXOVON-BEFAXECRSA-N 427.480 2.456 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1)C1CCOCC1 1532935370 YYHGDOBPVMVSAR-HXUWFJFHSA-N 433.574 2.085 30 10 IEEE CCn1nc(C)c(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 1534799278 DJUZAJTZZJWVDG-UHFFFAOYSA-N 443.573 2.451 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCN(CC)CC1 1539307688 XHYOZGMICFOKFY-IBGZPJMESA-N 439.995 2.482 30 10 IEEE CC(C)(C)OC(=O)N1Cc2sc(C(=O)NCC(=O)NCC#N)c(Br)c2C1 1539455743 GJIPMMMTDMCBDJ-UHFFFAOYSA-N 443.323 2.131 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1539621454 ADZDISIFBVTMGT-UTKZUKDTSA-N 443.523 2.360 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1539621771 SKAPQRIYRSSNFB-IEBWSBKVSA-N 434.562 2.416 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1539656145 UKTAURVIRDLVRG-KKSFZXQISA-N 434.562 2.291 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1539779357 VJRLSUJUXPVYSN-IRXDYDNUSA-N 440.976 2.337 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539903231 UZEYPHWKCBXYIB-PMRDEQMMSA-N 425.599 2.088 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1540134015 NACGHBNGIBKPPT-UHFFFAOYSA-N 447.478 2.434 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1540870887 ZJDRUYZAZJVNQX-AWEZNQCLSA-N 441.458 2.211 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OCC)c2)C1 1540891672 XZMBEFJELLEYRX-MSOLQXFVSA-N 441.532 2.466 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C(=O)OC(C)(C)C)C1 1540894597 AZYBXUHILCREJO-QGZVFWFLSA-N 448.568 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540898258 DWJWMPNNFYDLNE-QGZVFWFLSA-N 449.964 2.010 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540916981 KZNBDCNAVSBMRK-QGZVFWFLSA-N 428.562 2.059 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1541073356 XUVHXXNYMLCLCU-UHFFFAOYSA-N 449.479 2.128 30 10 IEEE CCOCn1nc(C)c(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1C 1544463341 VWYWSCQJAFLXLM-GFMRDNFCSA-N 447.561 2.488 30 10 IEEE COC[C@@]12CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]1CN(S(=O)(=O)N(C)C)C2 1548366493 QIJRHZDXBGVFGP-QAPCUYQASA-N 446.495 2.158 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1NC(=O)CC1(C)C 1555558182 ODGMCCSPBDPAOO-GOSISDBHSA-N 428.512 2.289 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)C1CCCCC1 1555753198 KOOYDSJIJAKOFP-TYPHKJRUSA-N 446.596 2.385 30 10 IEEE C=CCC[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 1556642486 NMLOCOPXNJJSAZ-CQSZACIVSA-N 447.351 2.327 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)CCOC1 1557558301 DWEHYIVTPGFBOO-XMMPIXPASA-N 435.480 2.440 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CCO)c3ccc(Cl)c(F)c3)CC2)o1 1560067703 SWQGJODAHVFTIF-KRWDZBQOSA-N 435.887 2.009 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 1561680143 WPMRKFIPPDHIAG-KRWDZBQOSA-N 429.542 2.416 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C 1566409948 PODCFTWKIPJACZ-XLIONFOSSA-N 448.527 2.433 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)n1 1568521787 KFFXBZXMPOGIAY-UHFFFAOYSA-N 444.536 2.205 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CCC2)cc1 1570690199 OTROUELWVXIJBB-JOCHJYFZSA-N 426.538 2.402 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)CCc1ccc(S(=O)(=O)N3CCCC3)cc1)CC(=O)N2 1583197386 DBBQOWWUPUOHNC-UHFFFAOYSA-N 438.509 2.261 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)C2)cc1 1583811327 CJSZPJLCFUFCOO-IFMALSPDSA-N 441.553 2.459 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1cc(S(C)(=O)=O)ccc1F 1585913914 OOBWBACSBPZKPY-MRXNPFEDSA-N 427.498 2.433 30 10 IEEE CCOC(=O)[C@@H]1CSCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1586758750 VQWZUIZFXZCZQR-INIZCTEOSA-N 438.347 2.264 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1587286308 YMJAACVKSLNGIV-ZDUSSCGKSA-N 438.727 2.413 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO2)c1 1587697645 VXAPQYQSSIAIMU-NRFANRHFSA-N 430.512 2.499 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1587846985 ADUAOKWVIFLUPH-MRXNPFEDSA-N 435.532 2.179 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H]1SCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588060127 ZZYNGIXDXOSEOE-PKOBYXMFSA-N 430.599 2.498 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)coc1C 1588612937 NBGCRCMLIFJBIS-UHFFFAOYSA-N 432.488 2.265 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@H](C)OC)CC1 1588908117 KRLYYYIVYGRKSL-QGZVFWFLSA-N 432.528 2.494 30 10 IEEE C#CCSCCn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1589126264 YOFKQVUIDBNPFF-XMSQKQJNSA-N 444.605 2.099 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCC(=O)N1CCOCC1 1589243154 VDAKVRIMRDDBMV-XMMPIXPASA-N 437.544 2.407 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1593710969 BHGJKSXQMUNGCZ-SFHVURJKSA-N 449.533 2.459 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)CC)CC1 1594229805 UOZOSGUIOAKLQR-UHFFFAOYSA-N 445.593 2.119 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCO[C@H]1C 1595275946 TXMHYILJSHEJMZ-UGSOOPFHSA-N 440.342 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1595831051 JPJUJDNOKDRSJX-RXVVDRJESA-N 440.610 2.403 30 10 IEEE C#CCN(CC(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2)C(=O)OC(C)(C)C 1596101108 QSTRNMMRWXSGFM-UHFFFAOYSA-N 427.501 2.040 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1596428867 BBLGKRDZTLYSLW-RQZFFVEVSA-N 440.573 2.223 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1596806344 GCINSIKBAIVQEG-MRXNPFEDSA-N 441.561 2.178 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)OCC(F)(F)F)nnc12 1611614474 YKYCZPVERYQHQN-UHFFFAOYSA-N 427.408 2.275 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)N(CC)CC 1614069885 IATAKKAYVFYREM-LJQANCHMSA-N 437.548 2.180 30 10 IEEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1614276998 ODULBEVJDHDEGW-WHLIDYPQSA-N 431.504 2.315 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1619502586 BIWCGQBTSXBFPB-LJQANCHMSA-N 426.521 2.116 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1619666795 CEDOMQBQRUFYOT-UHFFFAOYSA-N 427.530 2.177 30 10 IEEE CS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1625740793 LRBMYYVMFXLCBN-UHFFFAOYSA-N 434.539 2.140 30 10 IEEE Cn1c(S)nnc1C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1627298128 BFBIFIYQRPKADZ-UHFFFAOYSA-N 433.578 2.460 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1627905634 LEGWTRFLURDILX-CVEARBPZSA-N 429.945 2.262 30 10 IEEE CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1cc(C#N)c(O)nc1=O 1629396794 CXBFDLSPMYJPSX-UHFFFAOYSA-N 438.271 2.005 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1629477180 DPBKEBPZHQNICJ-MRXNPFEDSA-N 445.969 2.425 30 10 IEEE CCOCn1nc(C)c(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1C 1630351089 DLLLJEVNJMRBSB-GFMRDNFCSA-N 447.561 2.488 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1636284272 KVBMEMLFDVTGOL-UHFFFAOYSA-N 428.470 2.151 30 10 IEEE C=CCO[C@H]1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1637184476 HGWZFEFYXYKZIH-AOMKIAJQSA-N 440.537 2.138 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1 1638392391 ATVBHVVNZTVAGT-IBGZPJMESA-N 442.951 2.315 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCN(Cc3cn[nH]c3)CC2)nnc1-c1ccco1 1638413474 CHYZYLDVUHUDIH-UHFFFAOYSA-N 427.534 2.274 30 10 IEEE C#CC1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)CC1 1641976847 XITGUTQXTNAELC-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCC#CCN(C)C)c1 1643409419 HVIKNBAKBCOCKK-UHFFFAOYSA-N 444.513 2.307 30 10 IEEE COC(=O)[C@@](C)(Cn1cccn1)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1655032520 TVPYOBWPWMQDNX-HSZRJFAPSA-N 434.500 2.322 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OCC 1669267187 MBQRERXJLLCFDL-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 1670259016 DEZCFEZVZXRDPJ-SFHVURJKSA-N 431.533 2.265 30 10 IEEE C#CCCCCNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1670480774 XQVWWLROJQUOCB-RTBURBONSA-N 447.580 2.367 30 10 IEEE C#CCN1CCC(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 1678402045 WAFZWCQJYXAPCZ-FQEVSTJZSA-N 438.494 2.476 30 10 IEEE CCCN1C[C@@H](CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1=O 1682136208 GPFBNWMYILKDCX-QGZVFWFLSA-N 437.548 2.125 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(c4ccc(Cl)cc4)CCO3)CC2)nc1 1683874696 HYIUXPVWCBOGFY-HXUWFJFHSA-N 440.935 2.344 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 1684083050 NZVKPFYRIDMHCU-OAHLLOKOSA-N 425.396 2.435 30 10 IEEE C[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(C)(=O)=O)cc1 1684673702 HHGLDNUHPIKLCF-CRAIPNDOSA-N 428.514 2.323 30 10 IEEE CCC1(N2CCOCC2)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1686056561 ZPXFUORQIJSATD-MSOLQXFVSA-N 435.569 2.032 30 10 IEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)Cc1cnn(C)c1 1689935976 ZNFOJXYSQCUODY-UHFFFAOYSA-N 446.603 2.426 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1689993869 MVDAFHZHKUAIGM-FQEVSTJZSA-N 427.574 2.389 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cscc1C(F)(F)F 1690019659 OHALNKFAAADYLN-CYBMUJFWSA-N 442.488 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1 1690102285 HJXHOSJNELERCL-UHFFFAOYSA-N 433.553 2.004 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1conc1COC 1690559597 HVULBWZGXZHKQZ-LJQANCHMSA-N 447.499 2.476 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1690597038 HUYIYRWYQBCABD-HNNXBMFYSA-N 437.953 2.486 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1690597559 XKICEROYNODATI-APWZRJJASA-N 441.623 2.075 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCCC1 1690714769 UOPDKLOMHYOVJQ-UHFFFAOYSA-N 432.550 2.153 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690749862 RSNZOCRCAXEILI-CSODHUTKSA-N 435.594 2.092 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1695695489 ILJZQPOXDWJERP-UHFFFAOYSA-N 444.499 2.486 30 10 IEEE CNC(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H](C)C#N 1697001138 HAMDSFRZVSXURP-GFCCVEGCSA-N 435.326 2.448 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC[C@H]1C 1697696134 VBNUVZLMWDPCKY-XLIONFOSSA-N 441.532 2.131 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCCOCC(F)F)c1 1698485541 HFWODMXWKCNYAK-GOSISDBHSA-N 432.475 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CC)C1 1705479743 OHNFGZMTOMJSFM-WMZOPIPTSA-N 443.621 2.346 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705512378 APAKVMAUQXBPLJ-IBGZPJMESA-N 443.515 2.152 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CCCCC1 1705581700 JFKVKBSMPWMPEH-NRFANRHFSA-N 425.577 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC)N1CCCC1 1705593157 HWBOBTATRLETKG-NRFANRHFSA-N 443.559 2.258 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2ccc(F)cn2)n1 1705631672 MCFXCQDDNCGDOJ-UHFFFAOYSA-N 434.479 2.338 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2SC)CC1 1705642476 VOBLVIOCEHECLA-UHFFFAOYSA-N 442.564 2.065 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1705649927 IXJAYAKJTOFHOS-QGZVFWFLSA-N 425.533 2.282 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1Cc1ccccc1 1705652329 VWILUYJGBMIDDF-IEBWSBKVSA-N 447.630 2.466 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705732618 GAMDLOGFGHQTLM-UHFFFAOYSA-N 438.576 2.282 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705891219 JTJRACRWZABQDV-AWEZNQCLSA-N 425.505 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705899094 HXRGGIJWIKUQAJ-KBPBESRZSA-N 439.969 2.159 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1CSC 1705901558 PBNBRDDOGFDXNS-AWEZNQCLSA-N 439.545 2.228 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705903796 UPLKRVYFUPOPLB-GOSISDBHSA-N 437.504 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)CC1CCOCC1 1705935415 QOYBWVITEFXBSS-UHFFFAOYSA-N 436.553 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H]1C 1705937887 HWBXFQCTYYBPHJ-CABCVRRESA-N 437.591 2.105 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1C(C)(C)C 1705939323 VRXGPXKFHXAXAA-UHFFFAOYSA-N 441.598 2.091 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C 1706749815 DSOMURWIWJWZFP-INIZCTEOSA-N 443.577 2.468 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC[C@](C)(CC)O1 1709136868 ALBNTGZZWQPPRI-JTSKRJEESA-N 426.569 2.428 30 10 IEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1709719936 GVZMHVCNQLUAGE-UHFFFAOYSA-N 439.564 2.129 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ncc(Cl)n2C)C1=O 1711270007 CLPHQJFVHBSQAF-NRFANRHFSA-N 438.923 2.318 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1712008340 DQEMECJDYHKVFW-DHIUTWEWSA-N 440.548 2.062 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1(C)C 1712089154 IZQKKEVBCAXDRP-XKDCRVNJSA-N 441.532 2.130 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn(C2COC2)nn1 1722281160 HRKXGAUKDYLMDZ-CYBMUJFWSA-N 427.896 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1722282224 XZHNNGUAFUCWCU-PGRDOPGGSA-N 446.573 2.003 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722360215 FIOYIQFGGGWPAS-OALUTQOASA-N 444.605 2.164 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)NCC)c1 1722429030 MKJVBURFSXJGSH-FQEVSTJZSA-N 425.533 2.056 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2=CCCCC2)CC1 1722444455 KAUUOTFEWBVUJF-GOSISDBHSA-N 429.565 2.468 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCNC(=O)C1 1722452447 UPQSKXDSIQPFLE-INIZCTEOSA-N 429.546 2.119 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](COC)OC)CC1 1722563153 GCETXBKAAQSOHS-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1 1722707775 YUEAUIZDBPQPPG-SFHVURJKSA-N 432.546 2.020 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1722866433 BEDYRDMYVICCIQ-AOIWGVFYSA-N 442.589 2.227 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CCC(=O)N1 1723601941 QDVXXBPXMKUJAI-WOJBJXKFSA-N 449.559 2.026 30 10 IEEE C[C@H](OCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1724008324 SRFUALSNUMKWTO-AZUAARDMSA-N 438.532 2.411 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1729213005 HHGKLALGTJXAQH-UHFFFAOYSA-N 443.533 2.113 30 10 IEEE CO[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1729874865 HSGASMLITZEKAU-FXAWDEMLSA-N 449.563 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(NC(C)=O)nc1 1740634152 HIDJYIUTWFFSQI-UHFFFAOYSA-N 442.479 2.191 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccnc(OC2CCOCC2)c1 1740642389 PIGYMLBNXLFNRO-UHFFFAOYSA-N 442.523 2.338 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccnc(C)n2)CC1 1740768743 XJDFBRBJZOSTSH-GHTZIAJQSA-N 427.553 2.221 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1740811985 JYVFMMBCKQPUNX-UHFFFAOYSA-N 432.956 2.386 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740880102 CVGQFYBABRWLDI-SFHVURJKSA-N 427.553 2.224 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1740890881 LMDBRVFJDLSRIZ-JTQLQIEISA-N 438.501 2.229 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1741713803 MMLCDPCTPIMDJT-AUSIDOKSSA-N 447.628 2.083 30 10 IEEE Cc1ccccc1CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742438700 XVBYYTRXLUNADO-ZBKJMMEJSA-N 436.516 2.253 30 10 IEEE CCOCc1nnc(N(C)Cc2cc(Cl)ccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747028005 KAJWNGPJODBGSS-HNENSFHCSA-N 445.911 2.026 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747878517 CKLGXZCNBQNAJY-ICFOKQHNSA-N 435.410 2.255 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1748776152 AUERMQUOMGRTJO-DNVCBOLYSA-N 430.505 2.092 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1C 1748847861 XUPKWYCHVVVSRG-RTBURBONSA-N 426.542 2.029 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCc2nccn2C1 1748860052 SEMXBGWOZKGIMC-IBGZPJMESA-N 430.512 2.398 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 1748999093 HZONEJOLFRXQHV-UHFFFAOYSA-N 425.924 2.048 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749137287 XJTLWFORLNHNKM-URVUXULASA-N 431.581 2.333 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749482212 DHDANKWLEXRVJW-QGZVFWFLSA-N 441.561 2.035 30 10 IEEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1749627197 GMGCCFGIQZTABJ-GOSISDBHSA-N 440.614 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1749666702 QBRFRXXNUBXOOW-UONOGXRCSA-N 439.545 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749721233 DGSXTRKTBKRRID-OKZBNKHCSA-N 435.594 2.130 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2CCCC[C@@H]2C1 1749725786 ZILSSNWTVJWJCB-LJQANCHMSA-N 445.589 2.229 30 10 IEEE COCCOCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1750097612 UIFIFVMYOJNWHN-WIYYLYMNSA-N 431.468 2.286 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1752227251 LGYSMSHUOSLVFE-UDJKBAMHSA-N 438.536 2.077 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1csc(C(C)(C)C)n1 1760248454 MOJFOMGNAKOMOU-INIZCTEOSA-N 430.578 2.312 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1760256923 LVYWBYYUWNTZBC-IMSXRSKXSA-N 443.592 2.055 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCc2nnc(C)s2)CC1 1760270372 WAYSKBVMUWTRCO-UHFFFAOYSA-N 427.578 2.304 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1)C1CC1 1760469297 CFYLUHJSBMLOHK-KRWDZBQOSA-N 445.589 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760518370 SAXMFRGKFYABRP-UZUQRXQVSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2CCOC2)CC1 1760526467 AKPSAEBBHFTPAF-FQEVSTJZSA-N 439.560 2.455 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)C1 1760542555 MRVZMJLPEFFCAG-ROUUACIJSA-N 438.594 2.168 30 10 IEEE CC(C)C(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1760847124 PCZZRGRYIDVZTE-XMSQKQJNSA-N 442.495 2.395 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c1C 1761591588 PFOYXKQJDGGDAK-PMACEKPBSA-N 442.564 2.342 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 1769488465 FDKDSEACQXELJD-LPHOPBHVSA-N 438.532 2.103 30 10 IEEE COCCOCc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1770128668 ONZRIZGPGOTJGS-FQEVSTJZSA-N 438.532 2.180 30 10 IEEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C#N)CC2)C1 1770342512 DFZMCVOSWOGCEU-HNNXBMFYSA-N 449.968 2.015 30 10 IEEE COCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1771026258 OEVWTSMCGSDCSQ-LJQANCHMSA-N 425.537 2.192 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)c1F 1852613978 TXCXHPMYMFSPQD-QGZVFWFLSA-N 425.439 2.185 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2c(F)cccc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855734628 UIDGCKISSVQSFI-CYBMUJFWSA-N 449.891 2.341 30 10 IEEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/N=c1ccc(-n2nc(C)cc2C)n[nH]1 1873793574 QPEKFRMGGPMAOG-FOKLQQMPSA-N 449.471 2.432 30 10 IEEE O=C(CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(O)cc1O)NCc1ccco1 1874446736 JPMGJHMZYDOKEN-MMXTWKRJSA-N 443.485 2.425 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3nccc4ncccc34)CC2)CC1 1889528101 HHRGTKCBKGYSJJ-UHFFFAOYSA-N 435.572 2.280 30 10 IEEE COc1cc(CC(=O)N2CCC(COc3nccnc3C#N)CC2)cc(OC)c1OC 1891500809 UPWHHALPTCQBMW-UHFFFAOYSA-N 426.473 2.234 30 10 IEEE CC[C@](C#N)(Cn1c(C)nc(I)c1I)NC 1995387349 WRXOFZUOQHHJGW-JTQLQIEISA-N 444.058 2.293 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)C1 2020880275 CKNGQTITNFLCLW-OAHLLOKOSA-N 437.537 2.183 30 10 IEEE CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060632805 GIQZVVXMVAPXLB-UHFFFAOYSA-N 432.330 2.408 30 10 IEEE N#Cc1cc(Br)cnc1-n1cnc2c(I)ncnc21 2121297438 OMCOCPRCASNOFF-UHFFFAOYSA-N 427.003 2.449 30 10 IEEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(Br)c1=O 2162337798 LSXRVAMOKSLKMW-OCCSQVGLSA-N 441.326 2.075 30 10 IEEE C=CCN(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2248416173 NOZQFHRBUPNOEM-UHFFFAOYSA-N 437.371 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248445723 QOUROXLEIVOLKC-UHFFFAOYSA-N 439.343 2.288 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255810745 MWRXNOBBKSWEJX-JQWIXIFHSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(F)(F)F 2255862381 HQVWTNGTIXBHBH-ZDUSSCGKSA-N 447.263 2.499 30 10 IEEE CC1(C)OB(c2cc(N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)ccc2N)OC1(C)C 2256019699 DSCUWUKCVIKALN-KBPBESRZSA-N 425.260 2.310 30 10 IEEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2256055629 CGQJHKFDQSUHPX-CYBMUJFWSA-N 434.346 2.197 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267498432 ULNATERRUXTDJV-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502950 VWOHTQSQQZQRAI-GOEBONIOSA-N 448.373 2.095 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267515516 PRJLGXOLLXMKPU-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267516440 DLVMWPUHRGBXCB-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267564056 RDYNFXPTFFSUTD-HOTGVXAUSA-N 449.357 2.068 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268647299 YHOSZVBNGOHONU-CVEARBPZSA-N 447.341 2.201 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268700023 IUMZFODUMKVGCB-QAPCUYQASA-N 448.369 2.439 30 10 IEEE Cc1c(C(=O)NCCc2cnn(Cc3ccccc3)c2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552698 MFFTUUWBAMYZFV-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE CCc1nn(C)c(C(=O)NCc2nccn2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282575092 YDUYOMVFEIKBHA-UHFFFAOYSA-N 449.364 2.457 30 10 IEEE CN(C)c1nc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc(N2CCOCC2)n1 2297710121 UPLNWVZPOZZCQZ-UHFFFAOYSA-N 438.448 2.388 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 2315391258 ZMANYSJXFXWDAM-IAGOWNOFSA-N 433.358 2.471 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2334264306 ZKGNAHZTNRIXCT-DJIMGWMZSA-N 443.353 2.427 30 10 IEEE Cc1ccc([C@H]2/C(=C(/O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1 103107431 MENAMCGIAKXJGD-HMNTXPNISA-N 431.514 2.415 30 10 IEEE C[C@@]12CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C[C@@H]1C2(F)F 428733729 QUQRFHZYYWEVIO-OXJNMPFZSA-N 431.443 2.432 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 441212112 SKOKDJCGWAQPPB-QZTJIDSGSA-N 439.516 2.203 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnnn2Cc2ccccc2)CC1 485287591 FNORPWAEVBAYBQ-HXUWFJFHSA-N 433.541 2.223 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)c1 509139827 PYNDTMCPMSUYKS-UHFFFAOYSA-N 432.546 2.133 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)c1 515663798 QFGYZDIXEGFJMX-UHFFFAOYSA-N 428.517 2.107 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 516696073 VVJDLNISIDNEST-UHFFFAOYSA-N 435.450 2.260 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2cccc(Br)c2)C(=O)O)ccc1F 527322171 BAVWIFAQMAHUGY-OAHLLOKOSA-N 427.251 2.434 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2C1=O 538909560 UOGBBGYVHXJVEM-CYBMUJFWSA-N 425.391 2.282 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ncn(C4CCCCC4)n3)CC2)cc1 542719415 VSUQBDCVDIRHOB-UHFFFAOYSA-N 443.533 2.193 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 549255479 HARGGHYREAOMNM-CZUORRHYSA-N 429.336 2.167 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccccc1 609350196 CAEGDKMJWJWWNN-UHFFFAOYSA-N 439.487 2.266 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 619228409 VBVLPDQHEYQLQF-UHFFFAOYSA-N 439.466 2.432 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1-c1ccc(F)c(Cl)c1 731287856 KDZDIQJNFUVCFI-UHFFFAOYSA-N 433.852 2.500 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741183756 ASYVPAVZHWPTIE-UHFFFAOYSA-N 432.477 2.189 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCO[C@H](C(=O)OCC)C2)c1=S 741242062 NPZUHXGGZJWLGO-ROUUACIJSA-N 446.529 2.334 30 10 IEEE COc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C#N 746774919 DSZKLRNKNAKDPW-UHFFFAOYSA-N 446.504 2.312 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(F)n2)C1=O 747776871 XFZVECWJCLALBV-QGZVFWFLSA-N 429.521 2.420 30 10 IEEE C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 749588214 JKKSSPPOXIKFOK-NSHDSACASA-N 441.918 2.186 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1 750032625 NQTIKNFRHFDJMM-LJQANCHMSA-N 445.472 2.252 30 10 IEEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=S)Nc1ccccc1C#N 758264940 JUFPTEMQBGYBAV-GOSISDBHSA-N 426.542 2.433 30 10 IEEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 781535438 YINSQNAEABFCJQ-UHFFFAOYSA-N 443.319 2.439 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 781662103 WDSSPYDBOIEUAU-UHFFFAOYSA-N 441.896 2.367 30 10 IEEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 782816796 XEIVRYNRKVLDIH-AWEZNQCLSA-N 430.452 2.131 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N2CC[C@@H]2CCOC2)cn1 783006887 OYXSJAGKNNXGJT-OCCSQVGLSA-N 447.483 2.330 30 10 IEEE C[C@]1(C2CC2)NC(=O)N(c2ccc(CNS(=O)(=O)CC3(C#N)CCCC3)cc2)C1=O 790350025 NPGXERCBLCIFFU-HXUWFJFHSA-N 430.530 2.415 30 10 IEEE C=CC[C@@]1(C(=O)OCC(=O)NC(=O)NCc2ccco2)CCCN1C(=O)OC(C)(C)C 791720373 PKUQODUPNKWQJK-NRFANRHFSA-N 435.477 2.494 30 10 IEEE Cn1cncc1CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N 809942033 OKZGFPDMDOQCLM-QGZVFWFLSA-N 446.496 2.242 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cnn(-c2ccccn2)c1N 815308580 CGNZEHMLYFYMAH-OAHLLOKOSA-N 434.456 2.350 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)OC)cc1 821992327 QBJFUEONYDVWJE-SFHVURJKSA-N 443.525 2.387 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 858077330 BKBFUSMOJHIIOV-HNAYVOBHSA-N 440.525 2.177 30 10 IEEE C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccc(C#N)cc1 917094177 VYNKRTZITMOMSW-UZLBHIALSA-N 443.525 2.465 30 10 IEEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc1 1084554366 XSDNJWIGEYQNAM-UHFFFAOYSA-N 425.518 2.163 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)c1cc[nH]n1 1144562559 RZMGRMNXVPZTPX-GUDVDZBRSA-N 426.473 2.215 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1149491180 DLXNQDYOKNSCFP-CYGODWOOSA-N 440.569 2.109 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1154266357 KVUQTXAPXJIDNZ-UHFFFAOYSA-N 442.394 2.250 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3cccc(OCC)c3)n2N)c1 1188925616 IXJMTOGQORKXAW-UHFFFAOYSA-N 436.497 2.479 30 10 IEEE N#Cc1ccsc1NC(=O)CN[C@H](CO)c1ccccc1I 1198541335 MBTPYRFWGNPUAV-CYBMUJFWSA-N 427.267 2.486 30 10 IEEE N#Cc1ccc(CNC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)nc1 1228389818 GRRLJMPVTJOGOF-UHFFFAOYSA-N 434.544 2.124 30 10 IEEE C#CCOc1ccc(CNC(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)cc1 1228795783 JOFWERNPZGBCGS-SFHVURJKSA-N 427.476 2.250 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1286277869 IMFMXAKEBQOBNH-KBPBESRZSA-N 438.623 2.343 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1286328028 LYKHNKUCIQJVGD-QGZVFWFLSA-N 431.487 2.292 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286390904 FRMCSVVLAKGWTE-FQEVSTJZSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC)c1OC(F)F 1286407862 UAZUHLIMAWNMMC-MRXNPFEDSA-N 443.454 2.350 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 1286435508 BIWMJDDPYIWYAW-UHFFFAOYSA-N 439.564 2.274 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@H]2CCOC2)cn1 1286449004 GVVVSRMOPQCBJQ-KRWDZBQOSA-N 425.562 2.494 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCO[C@H](C)C1 1286506217 GQNZBFBMXHLPIQ-GOSISDBHSA-N 441.605 2.434 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCC(=O)NC 1286556725 FCORNIYBRHOXPP-PGRDOPGGSA-N 427.549 2.431 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1290725194 HURNMGDEYOCUKH-FMIVXFBMSA-N 437.537 2.062 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 1293082610 OEDPOJQPBFFARP-INIZCTEOSA-N 430.977 2.035 30 10 IEEE C#CCN1CCCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1293715677 IVIKEANMKPMNFY-UHFFFAOYSA-N 427.364 2.171 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 1296878476 WVTWRRIAUGKOPQ-KRWDZBQOSA-N 443.500 2.086 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1(C)C 1296930715 GUCXYCXDIIOARL-QZTJIDSGSA-N 446.577 2.006 30 10 IEEE C=CCCn1cc(C(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)nn1 1297050602 JDSFPOQKCBGIOA-UHFFFAOYSA-N 442.321 2.455 30 10 IEEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1297860047 HESTUCIVMRZRQG-QZTJIDSGSA-N 448.618 2.476 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C(C)C)N1CCOCC1 1300289281 HOZHHSPNUMMLDH-IEBWSBKVSA-N 425.533 2.489 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300409802 UZYWJYFAOGPAAJ-OAQYLSRUSA-N 442.608 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@@H](C)C1 1300528118 PZDYUJQBXFYHIS-ROUUACIJSA-N 440.573 2.126 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)c1ccc(I)cc1-n1cnnn1 1300590053 ZPYSIJICNMZMAN-UHFFFAOYSA-N 439.333 2.268 30 10 IEEE C#CCN(C(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1)C1CSC1 1300607527 HLPUYJRWDUCFRO-CYBMUJFWSA-N 437.359 2.494 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300629012 KJYKWNRCCLUOOR-KRWDZBQOSA-N 435.981 2.263 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1300630941 JYMVBUSPVCDKQV-IBGZPJMESA-N 442.585 2.388 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)NCCC)CC1 1300695710 GXSKFQQAFVOBBA-UHFFFAOYSA-N 433.560 2.108 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2COc3ccccc3O2)CC1 1300727242 VNJMWQVMMSWADJ-IBGZPJMESA-N 437.544 2.282 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1300727309 WETNCWDDYRVDKG-KXBFYZLASA-N 440.548 2.156 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300843822 JXKRSIIOBONHRR-CVEARBPZSA-N 426.359 2.385 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1300897682 UCVJIVGUXGVWMY-BBWFWOEESA-N 442.568 2.089 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301282832 LUQUYULDVFCYKE-MRXNPFEDSA-N 426.546 2.397 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301508358 ITBUQYRBMLKLFD-LJQANCHMSA-N 427.549 2.235 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)C1 1301558474 WALJXHNLHBYUHV-IEBWSBKVSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1301578443 AUPQJJXGVRFILV-NRFANRHFSA-N 442.520 2.480 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301969213 VPEMHKMGNPAAKJ-CVEARBPZSA-N 434.541 2.062 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1314443756 UHIUDMQXNCZHGZ-PZJWPPBQSA-N 441.532 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(C)(=O)=O 1358877032 VWRZREUWCSBYKA-LLVKDONJSA-N 429.315 2.349 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358916711 UQMKKWVFOFNFIG-UHFFFAOYSA-N 442.539 2.010 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1358995005 BGKHTIBUZKUWBQ-VHXPQNKSSA-N 442.523 2.167 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)cc1 1359023963 BQDTYRFYYLYGEK-LJQANCHMSA-N 446.573 2.102 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1359070727 SWGYEFPFODSTPQ-XQBPLPMBSA-N 433.622 2.437 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359128214 NAAQFWQTVIDJBQ-NRFANRHFSA-N 442.476 2.477 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)noc1C 1359301464 ZDGPYNYXVZAQAM-IBGZPJMESA-N 438.488 2.334 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(N3CCCC3=O)CC2)C1 1443687061 KDDUDRYXVOHGJF-UHFFFAOYSA-N 431.334 2.370 30 10 IEEE C=CCC[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C(=O)OCC 1449725103 GSNIQWPONNHXAO-GAJHUEQPSA-N 427.501 2.390 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)ccc1F 1454597752 WEHZXYLGARZGSO-UHFFFAOYSA-N 448.520 2.356 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1=O 1459213442 XVCKVXYFSHGIML-TZMCWYRMSA-N 443.422 2.161 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)CC2)cc1 1462105813 QJRBYXJJYXJBSK-UHFFFAOYSA-N 433.424 2.082 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1464148376 SHYKUZWRSOSQIP-UHFFFAOYSA-N 435.296 2.335 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C(=O)OC 1464536579 SPISPWWFVCWMGP-HNNXBMFYSA-N 432.564 2.160 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)C2)nc1 1471983387 BWBFUHSHOXMLIJ-GOSISDBHSA-N 430.468 2.441 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@](C)(O)c1ccsc1 1499163913 CGXLZMMPLLXQLI-QVKFZJNVSA-N 438.561 2.186 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCc1nnc(C)s1 1499300769 UAZUQSNFKIZDSU-KRWDZBQOSA-N 436.545 2.324 30 10 IEEE CCCN1CC[C@@H](Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1500921292 HLEWYYTWRYQWSJ-LJQANCHMSA-N 439.612 2.374 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507567138 NWNIYRHNLJVINO-FQEVSTJZSA-N 444.605 2.175 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1507591982 PHNUNTKKKDPOKP-HXUWFJFHSA-N 439.560 2.405 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 1507667827 SGSRNZUZRSHLPC-UGKGYDQZSA-N 430.556 2.139 30 10 IEEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1507835265 SCKDQNWGPYJJEB-DNVFCKCGSA-N 449.596 2.262 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1507844697 NUEXYKBCUNBWGP-LJQANCHMSA-N 432.569 2.497 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1508035990 IEPSGITTYMCNQD-ZWKOTPCHSA-N 425.599 2.245 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1508161770 NGIVMLCQGVJTFO-SFHVURJKSA-N 449.602 2.224 30 10 IEEE C=CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1508162587 PCOXFNHKLMVEPB-RTBURBONSA-N 434.654 2.386 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1509949542 AIZQTVDXXIOEAY-LPHOPBHVSA-N 435.532 2.138 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCN2CCCO)n1 1511692547 CCZWKCHAYYOIFL-NRFANRHFSA-N 440.596 2.117 30 10 IEEE C[C@@H]1CN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1512522780 GOGQEIARZCCDNN-GCJKJVERSA-N 427.528 2.207 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCNC(=O)C1CCC1 1516964666 WTKPVKODQAKFDV-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE C=CCN(C(=O)c1nn(C)c(C(F)(F)F)c1Br)[C@H]1CCS(=O)(=O)C1 1528599666 BYTKZDJNOXJOSS-QMMMGPOBSA-N 430.246 2.017 30 10 IEEE C=CCCC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 1533727816 PFMCXYSXCASWLB-SFHVURJKSA-N 445.541 2.352 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccccc3OC)CC2)s1 1538725258 MSOOZDLBRKEQHX-UHFFFAOYSA-N 435.571 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1538977930 YNVNDIDTHACBCT-GAJHUEQPSA-N 439.516 2.393 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CC 1539179240 NYSOJDSIBIIQOM-ROUUACIJSA-N 432.569 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccnc1OCC(F)(F)F 1539258350 VVJLMBHTULCDPO-UHFFFAOYSA-N 427.390 2.192 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1539461910 MNCONJKBHVZLOP-WJOKGBTCSA-N 443.617 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(F)c2)CC1 1539481842 GVGGNPGUHFOHKF-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539500259 WEGSQEGGFXWUIB-IBGZPJMESA-N 437.529 2.396 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539520857 VATSGXUCHKPZHN-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1539636722 LXJCJCRFECQLHY-XLIONFOSSA-N 433.578 2.116 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccccc1C 1540902789 QGOQGCCESMQAIA-OALUTQOASA-N 443.573 2.480 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCOC1 1541716851 LOAPCPVYHSAAJZ-HSZRJFAPSA-N 440.548 2.305 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1541803345 GPBTTZBYTKUXDK-BPQIPLTHSA-N 428.512 2.394 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1545094314 RUBAMNZGRNIMTN-JZXOWHBKSA-N 445.955 2.222 30 10 IEEE CCCN1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1 1547177921 AYATXIKKCNTBJG-KKSFZXQISA-N 445.568 2.443 30 10 IEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1555868298 BHPJGAAERFAJPM-INIZCTEOSA-N 426.546 2.326 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCOc2ccc(F)cc2)CCO1 1555991994 CMXIUIWBSXJNDL-LJQANCHMSA-N 442.495 2.241 30 10 IEEE N#Cc1ccc(C(=O)N2CCC(n3nncc3I)CC2)c(F)c1 1557500602 VVNLKLQUSSEVEJ-UHFFFAOYSA-N 425.205 2.371 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)ccc1OC 1565725018 HVKPIBYNQSDOJT-INIZCTEOSA-N 436.472 2.192 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4ccccc4[C@@H]3C(N)=O)C2)C1 1565773559 PJFVUUVNLIBBNF-DKIKHRMOSA-N 438.528 2.385 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2CCCC[C@H]12 1583867054 RXPDLFVXWOLGIO-BVIKNXMNSA-N 447.557 2.084 30 10 IEEE CCc1ccc(C(=O)N2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1586092747 ACOJHWBZSMQYSV-UHFFFAOYSA-N 425.510 2.298 30 10 IEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1588050827 VQYVPUKNPXQLBW-IAGOWNOFSA-N 441.557 2.098 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCNS(=O)(=O)CC 1588189475 KSHLTIAMSULTRB-UHFFFAOYSA-N 433.965 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[C@H]2CCOC2)CC1 1588954531 IFKGUTGLWFXYQF-NRFANRHFSA-N 435.572 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1595812100 MZJRUXRQMNIBJT-FQEVSTJZSA-N 446.573 2.418 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@]3(CO)c3ccccc3)C2=O)cc1 1607673995 LNEIAPPBFWRPLR-YKSBVNFPSA-N 432.480 2.273 30 10 IEEE C#CCN(C(=O)c1nc(O)nc(O)c1OC)[C@H]1CCOc2ccc(Br)cc21 1617600106 INRWENVWKFNQIW-LBPRGKRZSA-N 434.246 2.258 30 10 IEEE COc1cccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1619377500 ZHXZTHKNRSIEPZ-DLBZAZTESA-N 447.561 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]2C[C@@H]21 1620638315 ACOACIAJYSJQJH-OKZBNKHCSA-N 445.589 2.151 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 1628174565 HDQGLCBSJOOLDR-UHFFFAOYSA-N 447.463 2.250 30 10 IEEE CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N(C)C)cc1 1634109342 ZHXAWOOEIYRBPT-RLLQIKCJSA-N 444.580 2.414 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)[C@H](O)c2ccc(C#N)cc2)cc1Br 1635741888 MBKFILOYWLXGLQ-HNAYVOBHSA-N 433.302 2.330 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCSCCCNC(=O)OC(C)(C)C 1636270872 QCTLOTYHVATPQE-INIZCTEOSA-N 448.593 2.423 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)c1 1638432916 AOUXUBCQWLYYKS-AWEZNQCLSA-N 432.523 2.470 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1644563402 FIDQOMJUTDRVMP-UHFFFAOYSA-N 432.546 2.417 30 10 IEEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1648848999 DXPCHBJRADMPAN-HXUWFJFHSA-N 442.512 2.469 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1651131798 AXKSRKZQHFTPSN-GOSISDBHSA-N 444.509 2.153 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC2(CCC2)S(=O)(=O)CC1 1655667895 GXWZWOHVVQJDCX-UHFFFAOYSA-N 433.349 2.053 30 10 IEEE N#Cc1csc(CNC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)n1 1682378126 RWXNMRPSNSIGCC-UHFFFAOYSA-N 440.573 2.185 30 10 IEEE C=CCOCCCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1682775270 XZBLKBADVGGTLH-VWKPWSFCSA-N 425.526 2.067 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccc(Cl)cc1 1683502359 LAUJSPALMGZQJL-GOSISDBHSA-N 427.954 2.096 30 10 IEEE C=C[C@@H](C)ONC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1683557035 YRJVUPIIEMRUDX-CQSZACIVSA-N 446.367 2.056 30 10 IEEE C#CCN1CCC(NC(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)CC1 1684833365 TYBAUTNTLARJNA-UHFFFAOYSA-N 442.541 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1689825631 ABJYTXOLRKLABP-KBPBESRZSA-N 441.504 2.304 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1689835887 UNIOVGZVNYRBHQ-SJLPKXTDSA-N 443.573 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1689861559 XARYNDZBGGUFCR-PNLZDCPESA-N 443.573 2.456 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1689922346 KFIXLORVBZJGFX-HXUWFJFHSA-N 438.557 2.234 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1689988415 OLZOGGSVQOPKRI-GOSISDBHSA-N 445.589 2.480 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1689996693 MFYPEFMBCYUSEA-IBGZPJMESA-N 432.594 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCCC1 1690047615 VIBWBVZRISXEBA-LJQANCHMSA-N 432.590 2.240 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1690072401 HENOEJWIEJYNPW-FQEVSTJZSA-N 433.560 2.475 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)C2CCCCC2)CC1 1690110349 IJMPSLUGWFQKAM-XMMPIXPASA-N 444.624 2.283 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(OC)nc2OC)CC1 1690119423 FDLSOIMBKSHTMY-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)N(C)C)C1 1690690284 VRXPVCAQWVPCNU-IBGZPJMESA-N 433.578 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1690715412 KUJQXSXSNFSZLB-UHFFFAOYSA-N 432.594 2.325 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCN(CC(F)(F)F)CC1 1690992949 CDLIBTQYQJRDKY-CQSZACIVSA-N 429.491 2.286 30 10 IEEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(=O)NC)C1 1705527501 ZQWNDNRQMYIGRY-DOTOQJQBSA-N 427.574 2.496 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1705531349 GRSOXTOSBVAMKI-DEOSSOPVSA-N 447.543 2.180 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1705579944 ZWHZJYZDVDHJTJ-JOCHJYFZSA-N 428.540 2.351 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1705609573 JEFAAEHCDZKZQW-INIZCTEOSA-N 430.530 2.001 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1Cc1cnn(CCOC)c1 1705624996 BZNIPKQVLLIMCQ-UHFFFAOYSA-N 448.506 2.349 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1705629140 YEGMHSIUDAYBLL-IRXDYDNUSA-N 426.517 2.248 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N(CC)CC)CC1 1705636363 GYMQKYNGRWAZCS-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](OC)C(C)C)CC1 1705643248 YAYBWIGXORQOJQ-OAQYLSRUSA-N 427.549 2.292 30 10 IEEE C=C(Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1705741894 CJTPFXHQQAXTAM-UHFFFAOYSA-N 431.544 2.312 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1705906032 PTBYZIIWPUORIZ-UHFFFAOYSA-N 434.548 2.167 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705906113 STGWUVSWNHVGHF-INIZCTEOSA-N 438.454 2.114 30 10 IEEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1712385401 HALQSEMYFPZZPP-GBESFXJTSA-N 447.536 2.377 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1cccs1 1712639242 CSVDQGQFGJUUCR-QTLCSOKXSA-N 435.525 2.413 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2F)nnc1N1CCSCC1 1712913215 XTHAOZCDOPTHKF-ZPHPHTNESA-N 428.493 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCOCC1 1722375289 ARNBBQOAUFDDHT-IBGZPJMESA-N 429.528 2.129 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(N(C)C)CCCC2)CC1 1722433623 CFIJUMPYKSXNLH-UHFFFAOYSA-N 437.548 2.483 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722462101 RMCZEBLNDYRXQE-HNNXBMFYSA-N 446.527 2.070 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722486747 CNEWIOAAKRCHCO-OAHLLOKOSA-N 446.309 2.442 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1722518030 SNEBYVCUEHZYDY-OAHLLOKOSA-N 431.628 2.155 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1722585039 OPJHHBASEKBXQS-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1722685569 GEMKNMQMMKMIHL-IAGOWNOFSA-N 431.541 2.161 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@H]1C 1722693374 LNBHZXOHJQYTDH-LLVKDONJSA-N 425.356 2.280 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722700180 ZDYXBMJWRHCTRJ-IBGZPJMESA-N 442.539 2.195 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1722718258 HUMBFVDKLYGBJA-UXHICEINSA-N 446.573 2.178 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1722723523 ZGJKZINPJQPYLA-HXUWFJFHSA-N 439.516 2.052 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1722869698 RCQVLJHFENFMBF-SJLPKXTDSA-N 430.578 2.085 30 10 IEEE C[C@H](COCc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1723883978 HCBDZJHPVNNXNO-ICSRJNTNSA-N 438.532 2.096 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1723967861 BVBKYOHOEQGWNI-GCJKJVERSA-N 443.573 2.218 30 10 IEEE Cc1ncsc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1724097654 ANAFNSHHVIBEIE-UHFFFAOYSA-N 428.543 2.059 30 10 IEEE Cc1cc(C)n(-c2ccc(Cn3c([C@@H]4CCC(=O)N4)nnc3N(C)[C@@H](C)CC#N)cn2)n1 1725865681 AKZCKXHMHAMSEG-YJBOKZPZSA-N 433.520 2.213 30 10 IEEE CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1(C)C 1729604162 UGHNUIIQGOFJMG-HXUWFJFHSA-N 429.613 2.328 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1740554017 VSYPGIPPRJSTRL-WMZOPIPTSA-N 443.573 2.403 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740590284 KPQWHAGDDNEFBU-ROUUACIJSA-N 427.553 2.414 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1740600834 OQOPIDTXGWURCG-MRXNPFEDSA-N 431.562 2.088 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1740630045 DTTLYKDZNOLKGY-GOSISDBHSA-N 438.557 2.006 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1740929652 BVTLBNARSBSDTB-UHFFFAOYSA-N 431.504 2.040 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCOCC2)C1 1740979622 BAMJDNBSYXTABS-IBGZPJMESA-N 443.523 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCSCC1 1740987510 VMTZPEXGSKIFTB-UHFFFAOYSA-N 444.586 2.489 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1741004398 ZRLWRAHGMPFYDK-IBGZPJMESA-N 425.562 2.285 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1741686485 GOJPAHLBJRNGKL-LJQANCHMSA-N 432.532 2.459 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCN1CC(F)(F)F 1743272113 SJZMNLOFVBMVMJ-CYBMUJFWSA-N 434.426 2.264 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1743902721 HYXBBGDDSIQVBR-QGZVFWFLSA-N 438.580 2.474 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1748784361 LCROIRDOSIGGBN-UHFFFAOYSA-N 430.516 2.396 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2csc(COC)n2)CC1 1748984934 WYSXIWXKWFSPDB-UHFFFAOYSA-N 438.557 2.360 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@H]2C)CC1 1749000386 UVEHAJIUBBOLRD-MOPGFXCFSA-N 427.524 2.424 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749023988 BMEXITVWOZKENT-APWZRJJASA-N 425.558 2.283 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1749355439 JBTZHKKBNNUKBA-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749606217 QRHYYAPORVKXKE-QFBILLFUSA-N 428.562 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCOCC2)CC1 1749664578 SDEKEHCIBVGTAP-UHFFFAOYSA-N 444.967 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1Nc1ccn(C)n1 1749738800 XYOUOOGNKCCFAJ-UHFFFAOYSA-N 425.518 2.359 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1751277826 OVXHGYZZXFPYPN-YCRPNKLZSA-N 431.541 2.274 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)c(=O)n1C 1751526246 HBZYQSWLXCDXAM-UHFFFAOYSA-N 430.472 2.261 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](OC)C(F)(F)F 1760170443 CQTOXAQRGNXFLD-OAHLLOKOSA-N 434.422 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCN(CC)CC1 1760198836 JUXMQGGSNDALPK-UHFFFAOYSA-N 448.571 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1snnc1C 1760247987 WYBYCWVGEOLCBQ-UHFFFAOYSA-N 434.529 2.425 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760361041 FFTOESVVDOBXJD-ZWKOTPCHSA-N 441.532 2.173 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760397038 WVUUNDCYVQEVDN-FQEVSTJZSA-N 443.640 2.190 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760520033 AJPQIHGCEDALTN-IBGZPJMESA-N 440.454 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1760522906 GGBFXVVEIPYFCY-OAQYLSRUSA-N 432.528 2.480 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1760523776 HNTQBWHAMFUKIT-UHFFFAOYSA-N 440.548 2.456 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCC(C)(C)C)CC1 1760526799 TZRPUKSAQBLZST-UHFFFAOYSA-N 442.612 2.000 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1761360189 HRTPOFHSRSGQNF-UKRRQHHQSA-N 449.357 2.407 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1762050660 HRJIUUAQTQPUCI-QRFRQXIXSA-N 438.532 2.401 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1762409769 YNADLKKOWVPDPK-UHFFFAOYSA-N 432.532 2.484 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1762698672 HEABXXCOESEXFX-KRWDZBQOSA-N 438.532 2.091 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763903945 AUYVJYKMBVYLLC-ICSRJNTNSA-N 438.580 2.106 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1764678770 JGULVLOARKAOJV-FQEVSTJZSA-N 444.540 2.429 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(C)nnc2N(CCOC)Cc2ccc(C#N)cc2)CC1 1767096593 BQFFNWVGWAUPSO-IBGZPJMESA-N 425.581 2.137 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1(C)C 1769113503 LMUKQHHYPRAWOD-PGRDOPGGSA-N 443.573 2.458 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(N4CCCNC4=O)CC3)n2CCCCCO)c1 1771531429 NXVNRXFXZFTGCT-UHFFFAOYSA-N 437.548 2.363 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(COC)CC1 1772886998 HRMYQCBBTQHCHI-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@@H]1CCN(C)C1=O 1848772122 SIZQHHQTILQRAX-OAQYLSRUSA-N 439.537 2.297 30 10 IEEE N#C[C@H]1CN(C(=O)CCSc2nc(C(F)(F)F)cc(=O)n2-c2ccccc2)CCO1 1851201253 WIZCIMBHQKKMTJ-AWEZNQCLSA-N 438.431 2.484 30 10 IEEE CC(C)(C)[C@H](C(=O)Nc1ccc(Br)cc1C#N)N1CCS(=O)(=O)CC1 1851571770 QALLAFLQSAHSBH-HNNXBMFYSA-N 428.352 2.404 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)CN1S(=O)(=O)c1cccs1)[C@@H]1CCc2ccccc21 1852878818 UIVJGGMFJJWQIG-RTBURBONSA-N 428.535 2.230 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cc(-n3ccnc3)ccn2)cc1 1853327398 CRQKRXUHSZKNLH-OAQYLSRUSA-N 433.468 2.076 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2cc(C)c(Cl)c(C)c2)C1=O 1854330568 MZMZCIXWVUBTLR-QZTJIDSGSA-N 433.936 2.182 30 10 IEEE N#CCCN1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C(=O)C12CCCC2 1856625901 JREFFXLOUBUPOH-INIZCTEOSA-N 432.908 2.414 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)c1 1860910202 DFKDGROYSZLKBV-UHFFFAOYSA-N 448.439 2.290 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002176 DVVFYILBQWBWKQ-MRXNPFEDSA-N 431.518 2.077 30 10 IEEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CCN(C)CC2)cc1=O 1870563623 JDCKUJHKGAQSFE-DEOSSOPVSA-N 434.584 2.445 30 10 IEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1870904522 UKUBRSVQVOLEDA-UHFFFAOYSA-N 443.500 2.482 30 10 IEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1873784882 FGBXXULGZVLUFQ-JOCHJYFZSA-N 438.480 2.141 30 10 IEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1 1874209557 DAWWPYGKWVUZMF-AMAFCZHPSA-N 434.525 2.254 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)F 2060638093 RXSRFPSEUGPYSN-ZDUSSCGKSA-N 438.309 2.356 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2064341248 FTQMTBCWADXVEO-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]2C[C@@H]21 2124541389 SBBBRXGVRJXTGF-QOAZOABKSA-N 444.341 2.408 30 10 IEEE C[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2243387383 STPDTMIQZWNMLZ-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435099 KOEOPNYSACDUNP-LSDHHAIUSA-N 430.376 2.491 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1NC(=O)OC(C)(C)C 2247920474 YZQCEWDZABLXBT-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412416 JTENOTWOGLJDJG-GFCCVEGCSA-N 440.375 2.281 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)C1 2255159641 NDOIIQSPZLMJDT-SBXOYVTCSA-N 449.548 2.090 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255870982 PVNMVQNNYSWEHO-IBGZPJMESA-N 425.338 2.435 30 10 IEEE CN(C)C[C@@H](COc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2256021819 BLZBCMIFLXYDNO-HNNXBMFYSA-N 435.374 2.402 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266999974 QYKAZTMUJCSWPF-HFTRVMKXSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267146422 NQROLYBDEWGPPD-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267159933 MSBYEBZAPFTANO-APWZRJJASA-N 438.381 2.421 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267185849 BCQJEMOBRKOZTI-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267270227 KDPBNWFBJYVPQW-IUODEOHRSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2267288496 CPDJGQUAKRKFKO-JKSUJKDBSA-N 448.325 2.039 30 10 IEEE CC1(C)OB(c2cccc(F)c2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2267448331 WXDPFSSNVHZUQN-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE C[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]1CNC(=O)OC(C)(C)C 2267519634 JOISZCPSIMPIRK-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267524868 WHVFBYAQYKAEFB-QFIPXVFZSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CC2 2267573040 DIQWFLHWVAHSCA-HNNXBMFYSA-N 444.341 2.048 30 10 IEEE COC(=O)[C@H](CCNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267841287 MXIMITBHMPBPJG-KRWDZBQOSA-N 449.357 2.436 30 10 IEEE CN(C)CCN(CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2268628991 PGMUZJWAHSRESS-UHFFFAOYSA-N 448.373 2.118 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268642046 QEDUIGDGZNELIV-UHFFFAOYSA-N 440.349 2.399 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2271429142 KSYQSCOMPFILGR-OAHLLOKOSA-N 446.357 2.180 30 10 IEEE COc1ccc(C=C2Oc3cc(OCC(=O)NCCC(=O)O)ccc3C2=O)c(OC)c1 2297473302 DQJQPFPIEZWYBC-UHFFFAOYSA-N 427.409 2.290 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2312856403 NQFHQYOEKWONKY-RRQGHBQHSA-N 429.326 2.118 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2334272576 YGOPZKRDMKAFPM-ZVZYQTTQSA-N 443.353 2.366 30 10 IEEE Cc1nc(NC(=O)[C@]23C[C@](NC(=O)OC(C)(C)C)(C2)C3)ncc1B1OC(C)(C)C(C)(C)O1 2344196960 MQYHBKASQHULBH-SZPZYZBQSA-N 444.341 2.470 30 10 IEEE C=C1COCCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 2379851889 ONFQBXDGUMESIU-UHFFFAOYSA-N 426.130 2.371 30 10 IEEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccc(F)cc2)NCCN2CCOCC2)n1 14158206 NOJUMSXMOPZNQA-UHFFFAOYSA-N 431.541 2.319 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(F)cc3)n[nH]2)cn1 59831890 LQSAVBGDHDETKE-LSHDLFTRSA-N 428.497 2.223 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc3c(c2)OCO3)/C1=C(/O)c1ccccc1 136499103 FKADFNFNTGLKDT-AGGMBTAESA-N 436.464 2.169 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 302889404 MUYRDDNESYWRTJ-UHFFFAOYSA-N 448.552 2.342 30 10 IEEE CC(C)N1C(=O)C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 409518591 NHENNDITELQRBQ-PUECVXPYSA-N 430.933 2.455 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC1 438616356 DPZHSQULCQABML-SCIDPPFXSA-N 443.573 2.485 30 10 IEEE COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3cnn(C)c3C#N)c2)cc1 476059613 HOWIRZDOIVCTFQ-UHFFFAOYSA-N 425.470 2.031 30 10 IEEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 489996508 LXKLMLFJEDUTNH-IEBWSBKVSA-N 432.546 2.052 30 10 IEEE CCOC(=O)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc(S(C)(=O)=O)c1 503407513 PVCKMMCTZCACIE-HXUWFJFHSA-N 438.502 2.467 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 510113102 CIFDSZQRBXIGSK-UHFFFAOYSA-N 434.474 2.477 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 513786703 LXHIBFXWNYGVPT-UHFFFAOYSA-N 429.517 2.248 30 10 IEEE Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 533645761 GXPZFRXPDKIHFK-UHFFFAOYSA-N 440.525 2.047 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCCO1 534602824 VRFWDCRBFOVQJD-KRWDZBQOSA-N 426.513 2.490 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)n(Cc2ccc(F)cc2)c1C 547315241 DZDFODASJPAQTD-AWEZNQCLSA-N 432.521 2.221 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccs2)CC1 559105739 JMSXVRSGOMQOQF-UHFFFAOYSA-N 426.546 2.381 30 10 IEEE COc1ccc(OC)c(CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C2CC2)c1 572767798 UUGCREMVAFZNLL-UHFFFAOYSA-N 429.498 2.045 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)n1 582194084 QORINPWOMMEMTP-NRFANRHFSA-N 432.528 2.019 30 10 IEEE Cc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(-n2cc(Cl)cn2)n1 586859907 MKJHCHQIHZLSKO-UHFFFAOYSA-N 426.839 2.173 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c(C)c1 603786361 KYXLICQEQJPCLW-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE Cc1nc(CN2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)n[nH]1 609849570 WDIOJYRQXQPBQN-CQSZACIVSA-N 427.578 2.318 30 10 IEEE C=C(C)CN(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCCO1 670314141 IHLMDDPBAKDJDX-NRFANRHFSA-N 438.576 2.427 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 726575671 XRDQIULELFZCOU-NVXWUHKLSA-N 442.585 2.159 30 10 IEEE COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)cc1 732663769 FWDVLJIZFZTGFT-LJQANCHMSA-N 440.525 2.308 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)CCN1C1CC1 732702601 YHLNYCUMAWTBTD-LJQANCHMSA-N 439.541 2.369 30 10 IEEE CN(CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(c2ccccc2F)C1=O 732801898 KPTGWKRGRZZCFL-HXUWFJFHSA-N 435.459 2.156 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)ccc1C 734292140 DAGSMTYWWAONME-UHFFFAOYSA-N 449.554 2.324 30 10 IEEE C=CCn1c(-c2ccccn2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747830043 FAPZRHXGUYSQTO-LUKYLMHMSA-N 443.529 2.045 30 10 IEEE C=CCn1c(-c2ccncc2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1=S 747831119 YTVYMUNAXCXAKN-QAETUUGQSA-N 443.529 2.045 30 10 IEEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2ccc(OC)nc2)CCCN1C(=O)OC(C)(C)C 759799815 ASEMRLGUDGMBBL-IBGZPJMESA-N 425.507 2.241 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(Cl)c2)C1 760299041 HVZXQSXBGSZDBF-GJZGRUSLSA-N 437.953 2.211 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)c4ccc(Br)cc4C3=O)CC2)n1 766089799 VVJWKDZSLIYDIE-UHFFFAOYSA-N 426.274 2.091 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 771638966 SAJDOBSBRNCGQP-JLTOFOAXSA-N 431.489 2.089 30 10 IEEE C=CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134711 RLRRYRBJBQDNCL-UHFFFAOYSA-N 447.564 2.412 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1cccc(F)c1F)C(F)(F)F 784139749 HOGMZYMCKAMHOQ-OAHLLOKOSA-N 433.358 2.423 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 917493025 LHBYEOGGFPTVDR-HXUWFJFHSA-N 446.532 2.342 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCc1ccccc1CN1CCCC1=O 919078374 WIVKBKURRKNHHZ-QGZVFWFLSA-N 435.480 2.308 30 10 IEEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccc(Br)cc3)n[nH]2)cn1 1084011182 UGYXRULNKNRWAP-UHFFFAOYSA-N 435.311 2.478 30 10 IEEE CO[C@](C)(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)OC(C)(C)C 1125202059 BDUJZCXSYPNOGQ-SUNMQZQPSA-N 439.534 2.185 30 10 IEEE N#Cc1ccc(C2(NC(=O)CSc3nnnn3CC(F)(F)F)CCOCC2)cc1 1132356689 OYVYYYRTGCIMSA-UHFFFAOYSA-N 426.424 2.021 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1135236234 QLUOXQUVVXQEJB-UHFFFAOYSA-N 426.538 2.301 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N(C)[C@H]1CCC[C@H]1C#N 1151299191 BIGDFJDBURQZBI-JXFKEZNVSA-N 429.546 2.220 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)CCC(C)C)nnc12 1161645797 DLJDXHOITGBCPQ-OAHLLOKOSA-N 429.546 2.236 30 10 IEEE C#Cc1cccc(N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)Cc2cccs2)c1 1191960080 FHIOSYSKDKYTNQ-UHFFFAOYSA-N 431.583 2.276 30 10 IEEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1194992320 BXAMPFGMMRCRMG-NHCUHLMSSA-N 432.609 2.265 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)C1 1255362890 JASGYHXGXCJDQF-QFBILLFUSA-N 438.528 2.108 30 10 IEEE C=CCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1269216628 YQFQEWPWBJIDMD-IBGZPJMESA-N 441.528 2.430 30 10 IEEE CN(C)C(=O)Nc1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1273009530 PDBSFXOMHITYEQ-SFHVURJKSA-N 434.456 2.495 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286358519 WUGCWTZNKMWZAN-JOCHJYFZSA-N 444.557 2.294 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCSCC2)CCCC1 1286358952 ONOMUVUOCKFSJX-UHFFFAOYSA-N 439.589 2.356 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN(C)C(C)C)CC1 1286474136 BXXNOMBRKAIKSL-UHFFFAOYSA-N 426.565 2.058 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCC)CC1 1286479600 NEPJBRRRNCOGFI-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286783910 PXLWGHCMUQSEOR-INIZCTEOSA-N 445.955 2.038 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1286834547 IIFJMSQHYPUCAT-UHFFFAOYSA-N 431.610 2.411 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cccc(C)n1 1297274866 GIZTYXJXSBEYCO-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE C=CCN(C)CCN(CC)C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1297378209 DZRBOAFNJRNIFK-UHFFFAOYSA-N 432.590 2.381 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1300040807 DDMOCFJUUDGKCD-KRWDZBQOSA-N 426.374 2.074 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@](C)(O)CCOC)c1 1300332459 GQKIJEYVGZKYSU-DEOSSOPVSA-N 448.527 2.184 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1300490645 AMEGGHOIIWYRNN-QGZVFWFLSA-N 431.562 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1300561969 WQGYTPYXFSBMCS-SFHVURJKSA-N 426.542 2.241 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1300728867 HWMHHEHJDXNWQO-UZUQRXQVSA-N 441.601 2.447 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300766581 GEZUUZCGYIXIEB-SFHVURJKSA-N 446.646 2.159 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1300767142 RYTJSVMXHVHALB-SFTDATJTSA-N 440.617 2.177 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CCN(C)C2=O)CC1 1300767362 VTYPVNMHNCHMES-UHFFFAOYSA-N 444.630 2.449 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2O)C1 1300823341 CXRKLGPGNALIPC-UHFFFAOYSA-N 433.310 2.086 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1301362580 GEBNZWDVHMBGJF-FUHWJXTLSA-N 430.578 2.204 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301491654 MRVWICHUYWTXGX-FQEVSTJZSA-N 449.559 2.274 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3OC)CC2)nnc1C(C)(C)C 1301520485 YHXXSHVARYLUDB-UHFFFAOYSA-N 426.565 2.209 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNS(C)(=O)=O)C1 1301542658 PXYICQXKJWLNNR-INIZCTEOSA-N 431.518 2.022 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301617306 CEFMMXCLFMHFRT-HXUWFJFHSA-N 431.566 2.090 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C#N)o2)CCO1 1301903006 JOXAIMVVOFIHAB-KRWDZBQOSA-N 440.891 2.453 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)cc1 1312624323 CAFYTNURSSAHGW-VXKWHMMOSA-N 434.496 2.451 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC=CCO1 1314895518 ORPZZHXDMKCOCG-GJZGRUSLSA-N 433.310 2.120 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1358937521 ZEFRCRLOPCMLJK-UHFFFAOYSA-N 431.544 2.493 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(OC)c1 1358952315 GHVVUOMPINGRHA-UHFFFAOYSA-N 425.514 2.405 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1359126238 JSKXTPSJDMYUFL-UHFFFAOYSA-N 426.521 2.018 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359203791 VZGIVLVSCHUKJE-ROUUACIJSA-N 438.594 2.311 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359205167 OHLYUBIBUUZLER-IEBWSBKVSA-N 438.532 2.233 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCC2 1359274582 SOHADJBFTZQZKL-UHFFFAOYSA-N 434.548 2.237 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1 1359281012 LUIWERBRHWCMGD-UHFFFAOYSA-N 433.314 2.033 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359303716 YQZNQAQLTLNPIL-PZJWPPBQSA-N 439.560 2.379 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCCOC(C)(C)C)CC2)s1 1455228559 RWOIGVBXLWJQSK-UHFFFAOYSA-N 443.635 2.104 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(Cl)c(F)c2)cc1 1460115474 YRYWCZBWNGSKQK-UHFFFAOYSA-N 425.869 2.480 30 10 IEEE N#C[C@@H](CO)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1468043696 PZNXHPIYVYZUPU-ZDUSSCGKSA-N 428.297 2.337 30 10 IEEE CCOC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1473784188 OLDPBULWSZBXNE-MSOLQXFVSA-N 426.435 2.264 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1503374055 LIQHDEZKIQTDRS-NRFANRHFSA-N 426.546 2.150 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1507514663 DDXWUTNVPHUHDZ-MSOLQXFVSA-N 442.539 2.179 30 10 IEEE C#CCCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507575769 WCKPPWIZTHGLHI-XMMPIXPASA-N 445.608 2.282 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507594327 CPZRGZLMNDABBW-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507691449 BPHDSEXVVKCCCF-IBGZPJMESA-N 431.548 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC(=O)NC1CCCCC1 1507707480 XPJWFPYXNWXPDZ-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1507713659 SCRFXRKHRMTULL-AUSIDOKSSA-N 428.533 2.100 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507726715 DFWJDBJHORLAHD-WOJBJXKFSA-N 442.633 2.185 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cccnc2OC)CC1 1507731957 GNWAPMGVZKRQRU-UHFFFAOYSA-N 448.527 2.073 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1507756757 QVGXVEFNIJEPBL-AVRDEDQJSA-N 427.574 2.405 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507782947 BKXOMIAFMKCABZ-JKSUJKDBSA-N 426.359 2.433 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1508097255 GZXCXCJEWLBIMB-KDOFPFPSSA-N 431.459 2.011 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1508118036 QIGYMOMDHLZWIR-YADHBBJMSA-N 436.560 2.445 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1509756020 IDRRYZQGSJYDHP-AZUAARDMSA-N 438.532 2.259 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1510118728 HDMLBJXCZDHFTG-IXDOHACOSA-N 434.541 2.409 30 10 IEEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)OC 1514329245 CTURUKSWIUCOKT-LJQANCHMSA-N 426.521 2.103 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)OC 1514337541 HFKKYCGMYQDXEP-DFQSSKMNSA-N 438.532 2.259 30 10 IEEE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 1515526485 HNMUUGIRVCMDBS-QGZVFWFLSA-N 446.563 2.253 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)C1 1516024257 NINNTYUJZOGMFA-IBGZPJMESA-N 446.577 2.150 30 10 IEEE COc1cc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)ccc1C 1517979634 ATEBHHUMEALLJJ-SJLPKXTDSA-N 431.562 2.478 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)CC1 1521143121 DOMYLJJFPHCEIW-UHFFFAOYSA-N 439.911 2.277 30 10 IEEE N#Cc1n[nH]cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1530152554 AALWRNCBPUVIDI-UHFFFAOYSA-N 427.408 2.340 30 10 IEEE C[C@@H]1Cc2cc(C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)ccc2N1S(C)(=O)=O 1531353723 CPMZRCFDRPFYGF-CQSZACIVSA-N 436.497 2.161 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1531579323 ILJZOZWNVJDGHT-GFCCVEGCSA-N 449.301 2.237 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(F)c(I)c1 1532113462 LIKKTKIECIDTFU-UHFFFAOYSA-N 441.204 2.114 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539059437 FSIHAJRKNONIEC-UGKGYDQZSA-N 437.592 2.076 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539526491 KXLCLHARBXXUJC-QFIPXVFZSA-N 441.557 2.091 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccs2)CC1 1539723131 YBQADGYQLJGAFD-UHFFFAOYSA-N 432.594 2.393 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C)C1 1539751495 OHLFSHHMDOWXJK-GOSISDBHSA-N 427.553 2.270 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)CC1 1539877902 JQIHGISUTAOKLX-UHFFFAOYSA-N 446.533 2.291 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CC 1540869875 ZLCOHJRRPDJCLG-INIZCTEOSA-N 437.548 2.459 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 1540870881 YZTWFMOSZBREMI-ZWKOTPCHSA-N 438.580 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccc(F)c1 1540902764 PRTFZJUUAZCMKR-MSOLQXFVSA-N 447.536 2.311 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)CCO1 1541074042 GTPIUZAUCDZDLW-UGKGYDQZSA-N 440.573 2.444 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CCOC1 1541104964 CSQCWUUYLIZGIH-KSCDAYEDSA-N 433.553 2.253 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1548308250 IZSRTUNFHOFSMU-INIZCTEOSA-N 439.488 2.112 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554157616 AXROLMFKVGKQTL-YGCDDZCOSA-N 440.479 2.084 30 10 IEEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N 1555720386 TXOYWUCSSUTJBK-ZDUSSCGKSA-N 425.331 2.447 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCOCC(F)F)c1 1555987472 LPEBFDMIVUOAAB-UHFFFAOYSA-N 446.502 2.399 30 10 IEEE CN(c1ccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1)S(C)(=O)=O 1585231278 ALMJECCXPQNTOH-UHFFFAOYSA-N 449.573 2.349 30 10 IEEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1587813335 MEQYLDFRVYHDKM-UHFFFAOYSA-N 438.557 2.297 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588045783 QLBAXIJPWDSMOS-JKSUJKDBSA-N 442.570 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCc2ccccc21 1588170540 IFRVUGUGVXIADF-UHFFFAOYSA-N 430.556 2.430 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1588258946 NVESPQCLVMDTIO-HXUWFJFHSA-N 437.544 2.498 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC 1589171888 TZVJFJRDRBIBOZ-JOCHJYFZSA-N 427.505 2.099 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1594807150 FYPMRXZRPKCLIX-AWEZNQCLSA-N 441.458 2.211 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1595466671 LGOSGOJRICTPCW-IBGZPJMESA-N 438.532 2.166 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1595538069 YGZBLJXBMZKFFE-UHFFFAOYSA-N 426.477 2.414 30 10 IEEE CC(=O)Nc1ccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1596355053 IYTMHTBKTPPVHC-OPAMFIHVSA-N 441.536 2.316 30 10 IEEE CC(C)(C)O[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1597649391 UHJUKEKZOSJDIG-QAPCUYQASA-N 447.561 2.477 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1611613054 LCGZNSCJLQYCRD-BVYCBKJFSA-N 434.560 2.493 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1611764998 CEMNSYMBZOYAPE-OAQYLSRUSA-N 425.541 2.039 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCCO)cc1C 1612108631 OSTJFEIOTGGLCT-IBGZPJMESA-N 426.521 2.429 30 10 IEEE COC[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C1 1619724074 KQBIEZCUVSLNCL-CQSZACIVSA-N 426.502 2.255 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1620351579 DXBDSPDSZIVDCI-HNNXBMFYSA-N 430.490 2.028 30 10 IEEE CC(C)N1CCC(O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1622868885 JCJNUTKAFCZVQU-DKTYTTGXSA-N 434.581 2.125 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)CC1 1623968856 CLNHHGUZJLZHGG-FGTMMUONSA-N 449.548 2.486 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cs1)C(N)=O 1624572399 BVXSUVQGWMQPMF-QZTJIDSGSA-N 443.598 2.451 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1627794737 YPEKUJVDDVMQDW-CVEARBPZSA-N 431.352 2.457 30 10 IEEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)c(Cl)c1 1628397144 XIBYMFYBZUWBLT-CVEARBPZSA-N 437.258 2.487 30 10 IEEE CCOC(=O)[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](O)c1ccncc1 1631259606 ZFMHGDHOIKPHAR-RTWAWAEBSA-N 440.475 2.090 30 10 IEEE C=C1CN(C(=O)CCCCCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 1632669666 CTGJULWCJGTVQN-UHFFFAOYSA-N 427.954 2.279 30 10 IEEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)C1 1634554481 BFXOHZXUCFBARM-NRFANRHFSA-N 431.602 2.226 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1636632019 RGEREUBXGRSWSW-GAJHUEQPSA-N 427.501 2.297 30 10 IEEE CS(=O)(=O)CC1(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1640387322 QCIUCKLHCZQNNG-UHFFFAOYSA-N 440.363 2.088 30 10 IEEE C=CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1641174249 QLFKJWYRJSKKFZ-LJQANCHMSA-N 433.574 2.033 30 10 IEEE C[C@H](C(=O)NCc1cc(Br)cc(Br)c1N)n1cnc(C#N)n1 1645902016 VRXOVQYWSMZCHK-SSDOTTSWSA-N 428.088 2.134 30 10 IEEE COC[C@@]1(C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 1659652808 XZHKOZWAQCHRMJ-GAJHUEQPSA-N 430.549 2.093 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(Br)cc1F 1666604267 PXNFGPMJKFNFON-LLVKDONJSA-N 426.329 2.260 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 1685133340 XBSXODXZHKVXBS-JXORXQGFSA-N 435.521 2.144 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCCN4CCSC[C@H]34)CC2)c1 1687597110 XNWAIKJACXAZTG-VQTJNVASSA-N 427.574 2.498 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccnc(OCC(F)(F)F)c1 1689960962 FXCWFXSJRUNMAL-UHFFFAOYSA-N 448.405 2.460 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689987920 FLGHJQOWLSAGLI-IAGOWNOFSA-N 440.573 2.003 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C(=O)OC)CC1 1690052807 QJAPTGDDUUGEFK-UHFFFAOYSA-N 437.548 2.081 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1690595476 XLNFSYIDWAQBNO-QHCPKHFHSA-N 436.564 2.109 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)C1 1690697555 XNQSAFOQGBVPCY-ZIAGYGMSSA-N 431.566 2.208 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@](C)=O)CCC1 1691870543 DYBYNHPGFACJAK-MKTHODDLSA-N 442.593 2.079 30 10 IEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)c(=O)n1C 1693087907 ASNADSMIZCRTMQ-UHFFFAOYSA-N 440.511 2.341 30 10 IEEE C[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1693705005 GWWJGFQIRPIQAS-RYRKJORJSA-N 428.562 2.333 30 10 IEEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCSCCCO 1694735095 MJTKXIMKDFVKTP-UHFFFAOYSA-N 431.566 2.020 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNC(=O)C(C)(C)C 1696346430 HAJPKOKTPIMAAB-LJQANCHMSA-N 440.548 2.426 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1698245139 AAXXBUSPCILKHZ-XWFZLUIHSA-N 448.543 2.235 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2Cc2cnnn2C)c1 1705506018 XPSCSFJDOLKJIO-UHFFFAOYSA-N 430.472 2.080 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)cc1 1705574522 GGNPNWZKKZYFMD-DEOSSOPVSA-N 435.528 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1705578546 WZVNOUGXUNFRCO-FQEVSTJZSA-N 435.528 2.103 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCn2ccnc2C)CC1 1705648791 YWIBMPFKJDUCAR-UHFFFAOYSA-N 425.581 2.428 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1705651894 KKHSPIYGYJTQOA-LJQANCHMSA-N 443.573 2.067 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705678042 MASAYVRODUARDJ-BBTUJRGHSA-N 435.594 2.011 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705679428 NMHBJRIIVIGJHF-QWHCGFSZSA-N 442.314 2.219 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1705830816 BEZIFWHFEKRLSW-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1705932572 HAGKMSCNEYDOCF-INIZCTEOSA-N 445.524 2.118 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1722276655 JHTXMZPKRANSLN-NEPJUHHUSA-N 445.467 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1722291099 CDKWCBJLOHXGMY-IAGOWNOFSA-N 432.569 2.329 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1722295907 WNLMHTFTUMSEKC-RTBURBONSA-N 448.612 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1722445895 DQAOUALVTIUEQN-SFTDATJTSA-N 436.560 2.367 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1722474989 RIOOLAZAQPEQMU-KNXBSLHKSA-N 446.548 2.219 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1722558891 BZAFITUZDUAIMV-UHFFFAOYSA-N 448.531 2.457 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2sccc2[C@@H]1CC 1722701809 FOMQQXJUDXWCSU-INIZCTEOSA-N 428.562 2.278 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](OC)C1 1722730179 KQQGZKXWDMCKJQ-GOSISDBHSA-N 429.546 2.107 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722737363 CQPUKFQDDAKSSI-UHFFFAOYSA-N 441.609 2.044 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1722739238 TWXJPLPYXUQADT-KRWDZBQOSA-N 427.640 2.020 30 10 IEEE Cc1ccc(OCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1724447535 CADWTFKXNDGGEJ-OFNKIYASSA-N 441.532 2.435 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1728202087 VMNLDJRKDCIBGV-HXUWFJFHSA-N 447.547 2.393 30 10 IEEE COc1cc(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1729986975 HEGJYRVMYWOXHA-LJQANCHMSA-N 441.532 2.168 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1746998482 TZTYHYZPSRYWNI-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)C1 1748191116 PALRYWXYPFDOPR-OAHLLOKOSA-N 438.463 2.472 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nccnc1C 1748671572 LACKHWFHEKNAGW-QGZVFWFLSA-N 431.548 2.251 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1748812216 SMMNROLYUWIWKD-KRWDZBQOSA-N 427.555 2.271 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCCN1CCN(c2ccncc2)CC1 1748948462 NZQHXJGRAFOAQQ-UHFFFAOYSA-N 439.608 2.269 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(F)c2)CC1 1748962510 KBPOVFGXBRAGIP-KRWDZBQOSA-N 446.548 2.137 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1749277327 ANMNJRDUMGSRPR-UHFFFAOYSA-N 443.943 2.017 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1749736089 ZIFKHPSZUSUSFM-INIZCTEOSA-N 441.598 2.181 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCCCCCO)cc1 1750382214 CCUJRRDDHHUIIQ-UHFFFAOYSA-N 437.548 2.363 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760115719 JVXWTFUZHBPQNI-CRAIPNDOSA-N 435.981 2.404 30 10 IEEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1760135673 DZNSPRNKGSEDLG-UHFFFAOYSA-N 447.587 2.498 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC1(C(N)=O)CCOCC1 1760169024 YHLRSHSAGITUIJ-UHFFFAOYSA-N 432.322 2.059 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1760229773 DYFPHJOAAITPIL-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1S(C)(=O)=O 1760239421 IETJBPDZKSTBLS-LJQANCHMSA-N 445.589 2.303 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1760440390 IRFKHWCLWOZUPI-SFHVURJKSA-N 445.589 2.482 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760519838 RGHRLKDQWVKWNO-GOSISDBHSA-N 447.543 2.291 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1760546941 ZMFCGPSJIWJAEO-VXKWHMMOSA-N 440.592 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1760546942 ZMFCGPSJIWJAEO-YADHBBJMSA-N 440.592 2.402 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1761873547 DVGKDLKQACASCF-RCCFBDPRSA-N 429.546 2.148 30 10 IEEE CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1764059355 APNKSVWCJMUDFR-DENIHFKCSA-N 442.543 2.314 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)C1 1764508126 CHKCWDPNWUKUKC-PMACEKPBSA-N 440.548 2.221 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1765009311 ICIZWSRQFUDVTJ-SFHVURJKSA-N 426.427 2.375 30 10 IEEE CC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765122502 HFUFZMVGNTWBEQ-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1767187431 CWVRDVNENCFDLT-UHFFFAOYSA-N 438.580 2.331 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768026930 JZGYYQKGMJKXLI-QQMHEVNUSA-N 440.504 2.236 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1768762265 GMAJYARMZNHWMT-QQMHEVNUSA-N 434.504 2.054 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C1 1770110460 SXWPRETZVMPZHX-IBGZPJMESA-N 440.548 2.221 30 10 IEEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)c1 1770333237 RROCTRTXVVOGMP-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1771020883 QQLYBSFJONOQSR-LJQANCHMSA-N 426.521 2.292 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)o1 1771533467 MKFJVGAPNMMURH-ZDUSSCGKSA-N 442.417 2.317 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CCCCN3C(=O)c3cccnc3)CC2)CC1 1852449016 QLGJFSFDLHLWME-OAQYLSRUSA-N 437.544 2.077 30 10 IEEE CN(C)c1cc(N(C2CC2)C2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)ncn1 1852655625 SVFDRAJJIFXVDY-UHFFFAOYSA-N 448.527 2.345 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccccc45)C3)CO2)nc1 1853303756 RPVCXUDWXJSZOD-MOPGFXCFSA-N 445.479 2.189 30 10 IEEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2CCN(c3ccnc(Cl)n3)CC2)cc1 1853457466 AHAUWJJMKFUOFL-UHFFFAOYSA-N 446.939 2.293 30 10 IEEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2CCc3nc4ccccn4c(=O)c3C2)cc1 1853458350 RDZDYIAEBVARCY-UHFFFAOYSA-N 449.511 2.094 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)Cc3ccc(Cl)s3)C2=O)C1 1854334998 AFGAFLWDYATHMR-MRXNPFEDSA-N 430.917 2.491 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H](N(C)CCC#N)C2=O)cc1 1856451847 NLANOCZROSWFRY-IBGZPJMESA-N 434.562 2.084 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)OCc1ccc2c(c1)NC(=O)[C@@H](C)O2 1860406410 ZQKCFPKXRKHUPF-CYBMUJFWSA-N 446.481 2.447 30 10 IEEE C=CCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O 1863512568 MOHFCTUKKRAWKT-UHFFFAOYSA-N 443.500 2.180 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1864328468 NVBRVVULRUSSTD-KRWDZBQOSA-N 428.489 2.234 30 10 IEEE Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866867707 QUCCYLASQJTJGM-RTBURBONSA-N 426.542 2.449 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(C)c1 1870095455 LJTPLMIFSWIVEF-UHFFFAOYSA-N 426.458 2.215 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)c1 1870143860 FTVWGWXOMJOLED-UHFFFAOYSA-N 430.424 2.081 30 10 IEEE N#Cc1ccc(COc2cn(CCCn3ccnc3)c(CN3CCOCC3)cc2=O)cc1 1870350524 JUMJCQYHCDGHGM-UHFFFAOYSA-N 433.512 2.418 30 10 IEEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCC(N(C)C)CC1 1870497405 HYYLFKNCCPXBCQ-UHFFFAOYSA-N 430.593 2.342 30 10 IEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871121146 ZVQMPKNJOAAPKG-UHFFFAOYSA-N 426.473 2.481 30 10 IEEE O=C(O)c1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)cc1 1874298242 QFBLGAKVVPNAKC-UDWIEESQSA-N 427.442 2.442 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NCCN3CCC(C#N)CC3)SCC(=O)N2C2CC2)cc1 1889814942 ZXEYPDOQICMDFL-VXKWHMMOSA-N 442.585 2.194 30 10 IEEE C#CCOC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 1891640655 JALPJHQRAOEDJT-CQSZACIVSA-N 430.979 2.443 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 1902432147 TXKUMCZISGMEHL-RBUKOAKNSA-N 437.558 2.428 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)C1 2020887522 YYBSIFYDDROVPI-HOTGVXAUSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1COC1 2128734356 LZABELRJHOYWII-GOSISDBHSA-N 446.353 2.142 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243416995 PHUXAVYEFCGHDK-LBPRGKRZSA-N 446.400 2.239 30 10 IEEE CN(OCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2243677040 QHGDJNYXBSBLMG-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248446071 VLBKSAGLUBDWDL-ZIAGYGMSSA-N 437.371 2.362 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 2255190415 TXUWIPYTGMTKKE-PPUIFIOYSA-N 449.548 2.044 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255650640 QJGMCXLPTKDOKX-CYBMUJFWSA-N 436.362 2.141 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255827504 XZMCNMCNFCKZIL-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)o2)OC1(C)C 2256929457 QVVPXLIFUJKIML-INIZCTEOSA-N 429.278 2.369 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)(CO1)C2 2258958533 WSXJFUKEIYSVTD-UHFFFAOYSA-N 434.342 2.201 30 10 IEEE CCC1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2267188731 QBGCZZJVMYVPJE-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879180 GAFWLQALPWYYGC-HUUCEWRRSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268717792 ZBKLILGDYAWICM-HUUCEWRRSA-N 447.341 2.392 30 10 IEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271390952 XOGSGPXTWRINTE-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@@H](O)C#Cc1ccc(Br)cc1 2278785685 IENYYKFFJRCQEI-JKSUJKDBSA-N 444.347 2.099 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@@H](N)C#Cc1cccc(Br)c1 2278790796 VAUUKBCTUGLIMJ-HOTGVXAUSA-N 445.379 2.456 30 10 IEEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1 2296576834 LMINHNQJGXSZNW-QFIPXVFZSA-N 449.507 2.400 30 10 IEEE COCCN(CCN=c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)[nH]1)C(=O)OC(C)(C)C 2315390695 SAIGBTKGBLDVDT-UHFFFAOYSA-N 435.374 2.407 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315695058 IHJQFNBIKDEQJQ-PWSUYJOCSA-N 447.288 2.114 30 10 IEEE CC1(C)OB(c2cc(N3CCC(CNC(=O)C(F)(F)F)CC3)ncc2F)OC1(C)C 2322299618 OCILIINFLQEDTL-UHFFFAOYSA-N 431.239 2.415 30 10 IEEE O=C(O)CCc1nnc(S)n(N=Cc2c(O)ccc3cc(Br)ccc23)c1=O 2323026660 QUUMYZBIRCEYHI-UHFFFAOYSA-N 449.286 2.448 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334270312 YCQLWBPAPHHJEQ-OIISXLGYSA-N 443.353 2.427 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)n1 2337020344 OLBIOZSGCIFIJE-WMZOPIPTSA-N 447.385 2.401 30 10 IEEE COc1ccc(-c2nnc3ccc(OCCNC(=O)c4cccc(C#N)c4)nn23)cc1OC 38500302 SFHLHINQVHUAEZ-UHFFFAOYSA-N 444.451 2.489 30 10 IEEE CCN1C(=O)[C@H]2CN(CC(C)C)C[C@H]2C12CCN(S(=O)(=O)c1cccc(C#N)c1)CC2 96143606 OVHRUIKKRRIEPF-LEWJYISDSA-N 444.601 2.148 30 10 IEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)c1 102757757 FJDLDDGPYCZDBQ-GOBJLOIFSA-N 442.516 2.037 30 10 IEEE N/C(=N/O)[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 236337104 DHBKMMLNKNZRGU-SNVBAGLBSA-N 438.063 2.405 30 10 IEEE CCCCN1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C1=O 248227683 JTNJGJCSZCKMEQ-UKDJSQQHSA-N 447.491 2.376 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 302892349 VOPDRGTXGQALSQ-UHFFFAOYSA-N 436.560 2.260 30 10 IEEE C[C@@H](C(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1)n1cnc(C#N)n1 409463660 GBBSAIYYFPJWPK-SFHVURJKSA-N 444.495 2.274 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 410066367 WNWNCYSMFDEQLN-KRWDZBQOSA-N 432.498 2.316 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCc2c1cccc2S(N)(=O)=O 443375850 UGVAMDTYHVFLLF-UHFFFAOYSA-N 445.444 2.366 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(F)cc2)cc1 462433011 WBCRHFNCLFYFLT-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CCO2)c1 463273182 YNZOPCVTVAFWTQ-FQEVSTJZSA-N 425.464 2.212 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4c(C#N)cnc5ccccc45)CC3)C2=O)n(C)n1 472487291 MSTYOZQORREURC-OAQYLSRUSA-N 429.528 2.466 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)CC3(C#N)CCC3)CC2)cc1 477522639 AYXWJVLEGNRHBZ-UHFFFAOYSA-N 425.576 2.062 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]2CCCO2)c1=O 480928193 BSIPZVYLOPSICQ-AWEZNQCLSA-N 432.567 2.277 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)C2=O)cc1 489276212 HILAWBCTKBTOLU-WMLDXEAASA-N 431.418 2.322 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(OC)c1 490774599 VQMVCZUNRMVXQB-UHFFFAOYSA-N 435.477 2.234 30 10 IEEE CCOc1ccccc1C(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513786844 OHZIVVKMFQUHHY-UHFFFAOYSA-N 427.526 2.189 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cc1 515665093 GDWPWZCONFTSGQ-UHFFFAOYSA-N 440.528 2.115 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 516899291 GGMVPGGFWUIGAJ-UHFFFAOYSA-N 446.454 2.016 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 526929508 CPBHNIYFYNTFQP-KGLIPLIRSA-N 446.495 2.004 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccccc3)c2=O)nc1 530315656 HPJATLHHSIPKBL-LJQANCHMSA-N 445.544 2.160 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 539106891 GLQNEITZAWRLMI-UHFFFAOYSA-N 449.554 2.041 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 539764443 ABGIUUJCAMIMAK-SFTDATJTSA-N 435.576 2.343 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](C(N)=O)c3ccccc32)CC1 540574742 FRKYNIQLNMVBRV-UNMCSNQZSA-N 435.503 2.014 30 10 IEEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(Cl)c1O 545886166 SSMSEEJRSMAQAD-UHFFFAOYSA-N 435.889 2.073 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)n1 546897306 ZPMVRSHUMJAJQB-HNNXBMFYSA-N 442.882 2.383 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1 585355776 NSZNETKZFXHXML-UHFFFAOYSA-N 431.474 2.195 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C1CC1 589559507 VMCBPNITJAWWSU-UHFFFAOYSA-N 446.454 2.163 30 10 IEEE COCCNC(=O)C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 611839310 LZRADQAMHUARQU-UHFFFAOYSA-N 430.896 2.404 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 731400987 IFIFUXYOJNIFCX-LJQANCHMSA-N 441.509 2.381 30 10 IEEE Cc1cc(NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1Br 741339666 HXRIAKINMPEMAC-ISLYRVAYSA-N 436.262 2.156 30 10 IEEE O=S(=O)(c1ccccc1NN=Cc1nccn1Cc1ccccc1)N1CCOCC1 745201808 VEYCZBIJAXQOBA-UHFFFAOYSA-N 425.514 2.398 30 10 IEEE C[C@H](OC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)Nc1sc2c(c1C#N)CCC2 756283035 AUFUAMFBBDORHI-JTQLQIEISA-N 437.499 2.136 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2cccc3ccccc23)CCN1C1CC1 756778563 DYXKEKAGOUTQNJ-FQEVSTJZSA-N 428.496 2.222 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)C1 760294856 BILGADXRADWJOU-FUHWJXTLSA-N 443.573 2.399 30 10 IEEE Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cs2)c1 760865143 DKZXEIFLZZEQCM-MRXNPFEDSA-N 425.514 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 775945204 GRJIEKPWEDQYSV-ZWKOTPCHSA-N 447.605 2.446 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCOC[C@H]2c2noc(COC)n2)ccc1OC 780826896 DSJUAJWWKQMWHB-CVEARBPZSA-N 445.476 2.189 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 789322296 DTJOLVFWQNRCSD-HXUWFJFHSA-N 439.537 2.059 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@@H]2CCN3CCC[C@H]3C2)C1=O 790748702 PLSLSSJPVJRWAS-KSZLIROESA-N 449.646 2.374 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC#Cc1ccccc1 791307052 ICRIDCMPHNLZJW-LJQANCHMSA-N 433.913 2.468 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(F)cc1Cl 795784119 LRRONWSXWCNWIP-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE CC(=NNC(=S)Nc1cccnc1)c1ccc(Br)c(S(N)(=O)=O)c1 797400395 ZXBUKSHQJYVDBD-UHFFFAOYSA-N 428.337 2.202 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1)c1ccc(Cl)cc1 810470206 FCUUAYSWGFUJHT-GOSISDBHSA-N 441.871 2.062 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812914604 ROABTGVINAVIJB-GOSISDBHSA-N 447.488 2.351 30 10 IEEE COc1cc(C=NOCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1OC 823708063 IEKPGDVOAWHOOZ-OAHLLOKOSA-N 446.953 2.379 30 10 IEEE O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)cc1 916102783 NIUQUBNVNKBFBW-UHFFFAOYSA-N 446.304 2.236 30 10 IEEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 1084301706 CMIXKMNNBFFCMT-UHFFFAOYSA-N 429.466 2.240 30 10 IEEE COCCn1c(NC(=O)c2csc(C#N)c2)c(NCc2ccccc2)c(O)nc1=O 1143448396 CPOLUEMAZZKHQF-UHFFFAOYSA-N 425.470 2.393 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C2)c1 1149469622 ZNCLTICUHFKSRI-UHFFFAOYSA-N 441.285 2.369 30 10 IEEE C#CCN1CCC(NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC1 1155873184 LJDLYHDJVYIASU-UHFFFAOYSA-N 425.533 2.275 30 10 IEEE C#CCONC(=O)c1cc(I)cc(I)c1 1166328381 PELXJEYBDXELFL-UHFFFAOYSA-N 426.979 2.190 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H](CO)C[C@H]1CCCO1 1177982265 VLEHVUOASLEFMV-QWFCFKBJSA-N 429.517 2.439 30 10 IEEE C=CCn1cc2ccc(NC(=O)CNS(=O)(=O)c3ccc(C(=O)OCC)cc3)cc2n1 1178765839 QLOJNFVENNBWEX-UHFFFAOYSA-N 442.497 2.316 30 10 IEEE CCCCn1c(N)c(N(CCOC)C(=O)CSc2c(C)cccc2C#N)c(O)nc1=O 1190003061 LZOMQDUFQIDHNM-UHFFFAOYSA-N 445.545 2.283 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)C1CSC1 1195976978 DADWFDLVIGXOEU-UHFFFAOYSA-N 443.594 2.496 30 10 IEEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccs1)c1ccc(Br)cc1 1224514570 WRHWOVKVRMPJQG-CQSZACIVSA-N 442.360 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(c2ccccc2OC)C1 1286415044 ISLIFORGKUSEEX-HXUWFJFHSA-N 448.571 2.414 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1n[nH]c(C)n1 1286459494 NKMYBJZCPCNHPU-UHFFFAOYSA-N 431.504 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](F)COC)CC1 1286491624 ZIVKUXNLLMISEP-HXUWFJFHSA-N 427.524 2.128 30 10 IEEE C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286585172 WTIRQHNKGFJZRV-BZUAXINKSA-N 439.582 2.104 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1287517401 QBBXLCYRGSJKES-XOMICKMZSA-N 438.536 2.077 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1288192992 DBLHYUBBXZZHEN-HXUWFJFHSA-N 449.559 2.323 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1296129594 AUVWHXNOZZZZBB-GCJKJVERSA-N 426.544 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCOCC1(C)C 1300522375 FDFRIOUMNRCGQR-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1300672124 WESAXFAWRQSQJU-OAQYLSRUSA-N 439.560 2.061 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(COCCOC)cc2)CC1 1300695446 BGVHSXFLZXMICS-UHFFFAOYSA-N 434.544 2.240 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1(C)C 1300838361 KSQJRIOUMYVQEB-JPYJTQIMSA-N 438.532 2.068 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(OC)c2)CC1 1301120198 KLGWUYRYYQIKQV-LJQANCHMSA-N 438.532 2.070 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1301373578 ZANUFRXGEJLLTR-ZDUSSCGKSA-N 433.563 2.120 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1301497642 ZOIDVTSJFOHCLG-IRXDYDNUSA-N 449.559 2.459 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](n2cncn2)C1 1301510184 UNAOTSRXVOUFKO-HXUWFJFHSA-N 434.548 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(CCOC2)C1 1301586886 KHZYHFFZCRSDDY-JOCHJYFZSA-N 430.574 2.395 30 10 IEEE C=CCSCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1301624565 VOGAMLUOPWSNDT-UHFFFAOYSA-N 429.594 2.315 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2ccccc2OC)CC1 1316211306 SKBHCNPOJIARDD-ROUUACIJSA-N 441.532 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1358885390 JHBCPPCWJBZQRG-AWEZNQCLSA-N 436.907 2.200 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1358890153 LSOBNNKBIQALQY-ZIAGYGMSSA-N 431.543 2.403 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1358908569 BHVMICQZQXTIDQ-UHFFFAOYSA-N 440.573 2.480 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1358912734 XPKBFQBGHADCRM-HTAPYJJXSA-N 446.548 2.221 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(F)(F)CO1 1358987486 IKBCBBFFDDBWFP-KRWDZBQOSA-N 448.495 2.236 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1COCCO1 1359022097 MXLKRMZUZWGSJB-HNNXBMFYSA-N 435.322 2.209 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1359055474 FIPROKXUHOJBPK-KRWDZBQOSA-N 428.537 2.061 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1359064510 USYDCFWRGBBXDP-VBKZILBWSA-N 435.525 2.076 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359122920 FTUVOVDOUWNUFE-MRXNPFEDSA-N 431.610 2.247 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H]1CCS(=O)(=O)C1 1359263168 RYNZYZBCBLCYBP-HNNXBMFYSA-N 430.559 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCSC2)C1 1359294348 QZOJLGQELSDEAA-FQEVSTJZSA-N 428.518 2.489 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1 1359302056 VSKKTYQWBFCNMV-UHFFFAOYSA-N 431.512 2.146 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCCOCC1 1359329632 PDHWOWBSQNYGAL-UHFFFAOYSA-N 427.530 2.321 30 10 IEEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1359549193 GCKFOQGDKPZAQP-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1360405769 BZOMCILGAYIWEU-PMACEKPBSA-N 438.532 2.401 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1438000398 SCAPJENJULIJRK-UHFFFAOYSA-N 443.363 2.346 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1438152764 JPOXKEQKQUZHEK-QWHCGFSZSA-N 427.452 2.166 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 1442714460 DYVDJLDSMLGYGP-MRXNPFEDSA-N 443.953 2.041 30 10 IEEE C#C[C@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccccc1 1477340373 XLNMVMCDBGIPBG-NRFANRHFSA-N 427.526 2.022 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1503075753 LYULWIDUCLPFAX-OAQYLSRUSA-N 443.552 2.199 30 10 IEEE COCCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1505015612 RYRQZZSKXKSXNK-HXUWFJFHSA-N 434.500 2.066 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1507542101 OXVPHWYBTAWHMZ-MRXNPFEDSA-N 437.573 2.372 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1507629572 UOUILADPQIRWBI-RTBURBONSA-N 441.582 2.339 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507711641 GLWDDXOVHSOKDL-UHFFFAOYSA-N 428.500 2.183 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CC1 1507722786 IVACXGFAPHWYLL-UHFFFAOYSA-N 426.528 2.469 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2ccccc2)CC1 1507734056 QANGKSBUSHJVOE-SFHVURJKSA-N 436.560 2.186 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1507781540 BLCWKJLUGVVPBI-UONOGXRCSA-N 434.342 2.255 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507840585 NBRVKYIJTAJCPI-GOSISDBHSA-N 433.578 2.303 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507929877 VKRKXPDVFSGSND-LJQANCHMSA-N 429.569 2.491 30 10 IEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1507934883 ITSPVNWQEZGQRN-UHFFFAOYSA-N 428.518 2.185 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1507935660 SCYZWRMYYITTHL-RTWAWAEBSA-N 438.576 2.441 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1507952346 QLOHFVAKEXXBFE-UHFFFAOYSA-N 437.552 2.231 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1507980385 GLUDFPVHDDGWDV-IBGZPJMESA-N 445.589 2.256 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1508020375 MKLWKQVIQMEHHP-UHFFFAOYSA-N 430.574 2.295 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1508057496 CLOFYUVRFSSDKF-ZFWWWQNUSA-N 429.912 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)C[C@@H]1CC 1508139625 HZNMBCYZKYAEKA-GJZGRUSLSA-N 435.550 2.231 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)C(C)(C)C 1517319399 DSPSEVXJKBHABZ-UHFFFAOYSA-N 441.561 2.363 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCC(=O)N1 1519164867 VLJHRQSMIGFGTC-QGZVFWFLSA-N 435.488 2.245 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1OC 1537844866 PAJVVIDFXZHSMP-KXBFYZLASA-N 436.468 2.396 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OCC)c1 1539180079 WISRCWVHYLARSJ-GOSISDBHSA-N 446.573 2.290 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)C)CC1 1539897712 JCHANRTUOCDLHT-UHFFFAOYSA-N 430.578 2.444 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1540039900 JHKBKJOXPPQWEK-UHFFFAOYSA-N 443.552 2.243 30 10 IEEE Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542758612 WENKPGMPJYNTFD-JKJUUDSJSA-N 438.507 2.498 30 10 IEEE Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978029 FLDQJGSBDZBLLH-QTIQAUKSSA-N 428.489 2.203 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1547486713 ZZHIZFZZJDBVPC-WXVFVKJXSA-N 441.580 2.240 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1555049497 LQBZTTGRXAGEAT-NRFANRHFSA-N 447.561 2.145 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1556160009 MYMKDFHJZVTHDE-MRXNPFEDSA-N 431.424 2.278 30 10 IEEE COC(=O)C1=NOC2(CCN(C(=O)COc3cccc(Br)c3C#N)CC2)C1 1556175931 FEXHDNOUNSEIHE-UHFFFAOYSA-N 436.262 2.010 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1565768943 LPGKDSLZTFXIOL-DAXSKMNVSA-N 436.427 2.223 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1587683273 GBBPZGMJMHNOLY-NRVIRDBHSA-N 433.553 2.312 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1588006888 SDGJNGUYLCZLOI-JOCHJYFZSA-N 425.577 2.498 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1588034568 IPLDPTHXJDJXCU-HKUYNNGSSA-N 446.598 2.476 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588064194 CNBRQBMNAQTVSG-MRXNPFEDSA-N 447.611 2.370 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1noc(CC)n1 1588233330 HKIVEUSLLNFTCO-LJQANCHMSA-N 432.484 2.442 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1589577537 CDZNYYZDGFYHJZ-GKAYAJSDSA-N 447.580 2.015 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 1593775719 CVABSPNGBJJXMQ-HXUWFJFHSA-N 438.576 2.288 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(C)=O)c2)CC1 1594097322 QVGVXPKNCCCDOS-SFHVURJKSA-N 429.546 2.343 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1594868500 ZIEHCJALTXUMPA-XMSQKQJNSA-N 429.569 2.343 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC 1595099852 JTBSSXDDJACXCU-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1595545379 WVKKNYNVWLNEJU-SFHVURJKSA-N 429.521 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCc2ccccc21 1595784344 DPXQQOCHHKZIQZ-IBGZPJMESA-N 426.546 2.403 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595871378 PHTBETNGDRPWHK-DYESRHJHSA-N 431.537 2.385 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595900732 HWXVUIRQTALLEZ-GHTZIAJQSA-N 432.594 2.443 30 10 IEEE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)NCC#C[C@H]1CCCCO1 1606801051 CDSFQMIFEXSYIY-HYBUGGRVSA-N 445.519 2.189 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1612968939 UQVFCHSILLARRF-ORIGZDJFSA-N 444.586 2.399 30 10 IEEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1615892699 CMHKUBBTWYICMB-NZQKXSOJSA-N 429.613 2.330 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C[C@@H]1C 1618905683 XCYDNFXYJYLFSR-FUHWJXTLSA-N 440.504 2.042 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)c1 1619137548 QRSYEBSOKZRMSX-UHFFFAOYSA-N 427.486 2.044 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1619671055 UXXLVHAAJLZBMS-UHFFFAOYSA-N 436.516 2.038 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1620044716 FQAAKHVRUQUXFV-KKIUXKEOSA-N 443.573 2.360 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1623745210 CPRYXMWZGACBTK-HSZRJFAPSA-N 433.512 2.038 30 10 IEEE N#CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 1628340868 XFIDGNFSIPDFCN-LJQANCHMSA-N 428.470 2.125 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCN(c2cnccc2C#N)CC1 1628787119 QCJUABUEMFLIFY-UHFFFAOYSA-N 439.520 2.315 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)c(F)c1 1629952576 QRKVXVKKVNVDSH-LJQANCHMSA-N 447.488 2.043 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 1630158924 ANFLKDRHSBZQBN-UHFFFAOYSA-N 427.482 2.354 30 10 IEEE N#Cc1cn(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c(=O)nc1O 1633549901 DKXYWULSQLNNDD-UHFFFAOYSA-N 440.463 2.162 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN([C@H](CC)c2ccc(F)cc2)CC1)c1cc[nH]n1 1637396876 HBEBQHHOIBCCRB-LJQANCHMSA-N 445.495 2.128 30 10 IEEE C#CCN1CCC(C(=O)N2CCN([C@](C)(CO)c3ccc(Br)cc3)CC2)CC1 1640037489 HVYGKOXYADFQQW-JOCHJYFZSA-N 448.405 2.146 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)cc1 1645250214 LLFUYTAUMMOSOK-KRWDZBQOSA-N 426.416 2.080 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1 1651805613 OVWOHHGTCYLNDP-ZBFHGGJFSA-N 427.364 2.073 30 10 IEEE N#CC[C@@H]1CCCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1654207754 CWVSPMCZJPFTCE-SFHVURJKSA-N 430.574 2.376 30 10 IEEE C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654689307 RZFRZUYQIXNQBS-VGSWGCGISA-N 449.573 2.432 30 10 IEEE CCC(=O)c1cccc(C#N)c1OCC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 1656805249 NBXOEAUWJUUCJP-QHCPKHFHSA-N 434.452 2.418 30 10 IEEE CCn1nc(C)c(CN(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1C 1659683647 BSAQLVPZLNALAE-QFIPXVFZSA-N 426.540 2.500 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1689873578 OEEZVZKLGRZCIM-UHFFFAOYSA-N 434.544 2.280 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cccnc1N1CCOCC1 1689949963 YDWVYDJXEOGRAX-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988814 WSIZMJNSZUCYBH-LJQANCHMSA-N 441.557 2.201 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(=O)Nc1ccc(F)cc1 1690104901 MGFNXFMILYYCSX-UHFFFAOYSA-N 442.520 2.498 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1690230821 RODVFOCIILKKPR-SNVBAGLBSA-N 427.372 2.361 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCOC)CC1 1690237328 XRUYFGLJHXVQRM-PKOBYXMFSA-N 435.569 2.029 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690347666 MHBSXTGBJYZMPJ-QGZVFWFLSA-N 428.924 2.403 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1691493134 AVNZAKDNOSIVQM-IBGZPJMESA-N 446.559 2.484 30 10 IEEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c(C)o1 1692958511 IFRHZGZBOZZYJO-GQWAEJPESA-N 435.550 2.036 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1705502941 LDWAISRMGPDXEY-ZDUSSCGKSA-N 441.351 2.122 30 10 IEEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705515796 MSHMZOLLRIARCR-UHFFFAOYSA-N 425.537 2.406 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1705565395 HIEVKCGFCAUFTN-LJQANCHMSA-N 444.605 2.022 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1705570823 RTTAHGGBXGLSTG-MSOLQXFVSA-N 434.606 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705589858 WSGQVOMDEJLTNV-GBESFXJTSA-N 449.621 2.193 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccncc1 1705595211 KOYIJNNLYXXPGH-UHFFFAOYSA-N 447.568 2.339 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COCC)C1 1705904292 LOENWMWCXFGTDV-YLJYHZDGSA-N 441.532 2.346 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1706659649 UHYCOJCBONIEMJ-LJQANCHMSA-N 446.577 2.008 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1708262668 HFGRZNSETSUOJO-JKSUJKDBSA-N 436.520 2.053 30 10 IEEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@]1(O)CCOC1 1710708304 JRRZGVLPRXLVSG-NFBKMPQASA-N 425.533 2.297 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CCO1 1711360236 DXUDBGSTQILSTR-VQTJNVASSA-N 438.532 2.117 30 10 IEEE COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712457124 CIKPAHLGDNKHHE-UHFFFAOYSA-N 447.499 2.329 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722318535 DZDPPEWGRBCYGE-IBGZPJMESA-N 439.564 2.409 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722324964 CDYPBPYGLSYWIZ-OALUTQOASA-N 441.557 2.009 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722361776 JRYMHCOHMQITDK-LJQANCHMSA-N 438.557 2.167 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1722382648 BOOZBVGYXFUZQW-IBGZPJMESA-N 443.548 2.086 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1722537819 RFKXQJOMRHTSBL-GOSISDBHSA-N 432.569 2.149 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](COC)OC)CC1 1722563152 GCETXBKAAQSOHS-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1722620072 IPZOJEPFIQAMED-ICSRJNTNSA-N 430.597 2.462 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1722654889 XYIGUQVJZASAHY-JOCHJYFZSA-N 443.573 2.189 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722671460 TYFYRXUZDJRXRN-RTWAWAEBSA-N 436.560 2.481 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C[C@@H](C)CC 1722698136 VEZDGYFVEICJBW-INIZCTEOSA-N 437.548 2.367 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2Cc2ccccc2)nnc1[C@@]1(OCC)CCOC1 1722704915 ZPJYSIGCIJEUFS-GBXCKJPGSA-N 439.560 2.444 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722735053 JGVLHNZIXQGRCH-SJLPKXTDSA-N 432.546 2.233 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cncn2)C1 1722744724 VYPURPVVELVBGJ-KSZLIROESA-N 433.582 2.354 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC(C)(C)C2)CCOC1 1723663766 LUTQTAVCKVWMOV-XMSQKQJNSA-N 434.585 2.168 30 10 IEEE CCN(CC)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1728412185 GJBWVFWWTUDAIE-OAQYLSRUSA-N 438.515 2.095 30 10 IEEE COc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCC(F)F 1730297009 AFLIEUFOEYMZMF-SFHVURJKSA-N 446.502 2.336 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1740536266 CDAZOKWALVXEOB-DLBZAZTESA-N 443.548 2.150 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)COC)c1 1740563925 XXDVRQHXPFHKHL-UHFFFAOYSA-N 440.548 2.145 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCN(CC)CC1 1740602481 VJIZOXBIICGNIX-INIZCTEOSA-N 448.413 2.142 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N(CC)CC)CC1 1740693017 SGPSXZKYZGYTDK-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1740724736 HXYQIIIQOZMIKO-WAOWUJCRSA-N 436.626 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCCOCC)C1 1740756213 FWKVWXQLOPVNCJ-BJLQDIEVSA-N 428.537 2.348 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740847403 HPDPSQOKGUPAHR-OALUTQOASA-N 430.597 2.380 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(C)=O)CC1 1740882185 CZGMMGRUFMTOGC-UHFFFAOYSA-N 427.505 2.325 30 10 IEEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740964373 BFFMDLGLSCMIOO-OAHLLOKOSA-N 444.540 2.172 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1740965998 OBOBHYODGNULCH-QGZVFWFLSA-N 433.578 2.486 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1740979386 DPKVZPXPYULGAS-PMACEKPBSA-N 446.573 2.156 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1742935391 BDOPPRWZGIPZKA-KGVIQGDOSA-N 431.560 2.324 30 10 IEEE CN(Cc1ccoc1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1747779597 BYCAPJPRGYFOCK-UHFFFAOYSA-N 429.502 2.107 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1Cc1ccc(C(N)=O)nc1 1748900643 IZNTWRKBGNAVQX-UHFFFAOYSA-N 428.496 2.171 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2OCCC2(C)C)n1 1748971702 ZCCDWHCPWYWIQW-UYAOXDASSA-N 442.564 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCCC2(C)C)CC1 1749011130 VUQDWBAZQHMIHV-XMMPIXPASA-N 438.576 2.191 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1749222155 AGOXZANXCCUUHP-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749293572 BUJLEEHQGZYAOV-IBGZPJMESA-N 440.928 2.444 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1749354340 NXWDMIFOLUGBKI-YQQAZPJKSA-N 425.599 2.494 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1749912752 VQSZHLYWPPTMLA-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1750008146 NMOSIZGOEDWUCJ-QFBILLFUSA-N 429.521 2.007 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760187394 VPIKFIINGRTIQZ-LJQANCHMSA-N 430.574 2.355 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760189314 HLADUWOHMRQQBV-FQEVSTJZSA-N 430.574 2.229 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCC2)CC1 1760263712 MHFHZOPLMFJKAA-UHFFFAOYSA-N 427.574 2.249 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1760366961 LXZXEWSUNGMYGE-INIZCTEOSA-N 431.928 2.348 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1760381197 CDUGRJVWMXQYMS-UHFFFAOYSA-N 429.521 2.001 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760431390 NVOWHYIJPNDIFL-RTBURBONSA-N 439.564 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C(N)=O)CC1 1760517713 WBHDAHBVQFQJHN-CQSZACIVSA-N 442.589 2.135 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760695390 GOFHKJOYRXFZAE-WIYYLYMNSA-N 438.576 2.383 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCOCC1 1761362410 ZBBSSVBNYYTXDS-IBGZPJMESA-N 436.564 2.367 30 10 IEEE C[C@@H]1CCc2sc(-c3nnc(N4CCO[C@@H](C#N)C4)n3CCOCCCO)cc2C1 1762812963 MFTQNCRGGAYVKC-WBVHZDCISA-N 431.562 2.259 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](OC)C2)CC1 1765559790 HZYGDQHYJPMZBT-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCC2)CCO1 1769260162 XNEGFQMYCNNZOV-QUCCMNQESA-N 436.516 2.036 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCN1CCCC1 1769818941 GDHXJHYSVLSZFF-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(Cl)cccc1OC 1771223354 VOADKIINNMAOEO-GJZGRUSLSA-N 435.912 2.441 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)CC1 1771539610 DSJGZDHMLWDQED-INIZCTEOSA-N 445.474 2.446 30 10 IEEE Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C#N 1851116369 FZXZIOTVIVCAKJ-UHFFFAOYSA-N 431.489 2.169 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)CC1 1851444027 OYIZWGAWVAMVFS-UHFFFAOYSA-N 446.467 2.051 30 10 IEEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)CC[C@@H]1CCCO1 1853047691 VWFSOMYSAABEFM-IBGZPJMESA-N 431.500 2.444 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@@H](N(C(C)C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1854108787 NXDJTMVYSLGILM-VQTJNVASSA-N 431.558 2.286 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)cc1C#N 1856471275 WFHAITQCYBCNCF-HXUWFJFHSA-N 429.542 2.040 30 10 IEEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)cc1C(=O)O 1857896961 WXCRNQRNKNZZKU-UHFFFAOYSA-N 431.470 2.022 30 10 IEEE COc1ccc(Cc2c(O)nc(=NCC(=O)Nc3ccc(C#N)cc3)[nH]c2C)cc1OC 1858534792 TZRCXLBMFHOREV-UHFFFAOYSA-N 433.468 2.443 30 10 IEEE NC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc(Br)ccc1O 1874444419 DLTXVNVWIFASHK-CIPPFVMLSA-N 426.296 2.057 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)CC1 1889528047 FFOHVBGBDZBNEQ-UHFFFAOYSA-N 435.572 2.134 30 10 IEEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010401648 GLTBJTQIBFUKAR-ZDUSSCGKSA-N 436.343 2.024 30 10 IEEE C=CCC1(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 2018273207 YUKLFPOAYJPBDT-FVUUGDKNSA-N 439.553 2.334 30 10 IEEE CN(C[C@H]1COCCCO1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172776097 LIIDKTPEAYNIIN-AWEZNQCLSA-N 427.148 2.385 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1 2174786652 LVPNKCOLHIIKMK-PMACEKPBSA-N 429.498 2.062 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C 2255633837 IMNLUKAHMAJWQB-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830207 BPEAEMCFYBNDTD-KBPBESRZSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870270 JPKRRAFFEBFZBY-CABCVRRESA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256661855 WLHHKZLFLABUDV-RHSMWYFYSA-N 432.326 2.464 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2258959354 QHGISQXIUBWSOP-IAGOWNOFSA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2267142207 QZEHHDLVFZVLTM-PEBXRYMYSA-N 446.357 2.038 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2267213481 CCPMDXCUZHGTFJ-LJQANCHMSA-N 432.333 2.231 30 10 IEEE CC1(C)OB(c2occc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2267287130 STRQPPVVDBJWNV-UHFFFAOYSA-N 439.365 2.126 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267485281 FZPMJMPOVURZNT-JOCHJYFZSA-N 449.332 2.460 30 10 IEEE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267523001 ZAIPZXSTXAZNDB-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267580376 FYOJGXRXJSHVQL-HSZRJFAPSA-N 446.353 2.399 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2300337793 NGYRNHNBWRXAKD-BTTYYORXSA-N 435.355 2.037 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C 2315613344 JEXCFGFUQIATIB-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1O 2329045114 DNGGQVVOABOMHA-HNNXBMFYSA-N 433.534 2.073 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)n1 2337020852 VYDVOQAAPWIOPF-WMZOPIPTSA-N 447.385 2.401 30 10 IEEE C=CCC1(C(=O)O)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364212747 ADWMPRILRWPPEE-UHFFFAOYSA-N 434.514 2.136 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc(Br)ccc2I)[C@H]2CCN1C2 2368602161 RTWVLAMZTRBRQK-QWRGUYRKSA-N 446.086 2.476 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1O 21316587 YWWBPFYKZZIJNK-ZVBGSRNCSA-N 431.453 2.022 30 10 IEEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 22628876 FWOWKBGVWWARJK-UHFFFAOYSA-N 426.420 2.364 30 10 IEEE Cc1cccc2c(=O)n(CC(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cnc12 109889192 IOOHODKJKNVDJX-GOSISDBHSA-N 433.493 2.117 30 10 IEEE CC(=NOCC(=O)OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 254291355 AYLVXTZHGSVXJI-UHFFFAOYSA-N 439.468 2.048 30 10 IEEE C[C@@H]1CCCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)C1 301263173 SSSJPEMAGSMCBY-QGZVFWFLSA-N 426.546 2.095 30 10 IEEE N#Cc1c(CCCNC(=O)Cn2ccc(=O)c3ccccc32)nn(-c2ccccc2)c1N 303068309 ZIYYQDUFSXNOCI-UHFFFAOYSA-N 426.480 2.390 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2cccc(N3CCOCC3)n2)ccc1C(F)(F)F 409513393 MEWSCFRCTAMYCZ-UHFFFAOYSA-N 426.420 2.287 30 10 IEEE CCc1ccc([C@H](COC)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 466060890 DFJDREAUSZTBFN-SFHVURJKSA-N 446.529 2.117 30 10 IEEE COc1ccc(Br)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 474068549 URSLFOAZPASLAS-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE COc1cc(OC2CC2)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478063074 SSWHJNZLLVTMLO-UHFFFAOYSA-N 441.509 2.255 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@@H]1CCCO1 480938546 VTSNMZSVJBGHOB-KRWDZBQOSA-N 444.553 2.337 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)cc1 481002500 SOSIJQIEJRVWSD-DAABDDCCSA-N 445.589 2.147 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2)c1=O 484539990 DBMFYLRIQPQDHH-UHFFFAOYSA-N 447.585 2.286 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1S(=O)(=O)NCC#N 497457306 BONOPAQFFKLRLE-ICSRJNTNSA-N 448.495 2.250 30 10 IEEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508476368 CQTOXOQHSYJVKU-HXUWFJFHSA-N 430.622 2.348 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 508794186 KILWUMVAWDYYQK-DLBZAZTESA-N 430.578 2.003 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 508881710 SKWSJBWKBKEZQG-IBGZPJMESA-N 431.562 2.391 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)CC2)nc1 516556404 CZIXDABMSCKYPI-UHFFFAOYSA-N 446.555 2.409 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 520461636 OBLABSLBYKMLDE-RHSMWYFYSA-N 435.550 2.433 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCC3)cc2C1=O 523339535 ZAEVYJPDCGGTFO-OAQYLSRUSA-N 431.492 2.432 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 533695339 ZNZTWOVSBIIZLG-HNNXBMFYSA-N 425.510 2.055 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cc2Cl)cc1 542598881 XCDZKJKGXKYYQV-KRWDZBQOSA-N 440.887 2.485 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CC(=O)OC)C1 549301744 AZSBWOYOMNDYEB-CQSZACIVSA-N 438.326 2.391 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 558455382 XSTSZZSAAWAREE-AEFFLSMTSA-N 448.593 2.428 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)N(C)C)CC1 567631061 WZBSFIMEKYCZHX-UHFFFAOYSA-N 445.593 2.119 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCn2cnc3cc(F)c(Br)cc3c2=O)nc1 569527809 RHCLDMQYTLYVMP-UHFFFAOYSA-N 437.250 2.039 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1 609234169 MVBPYYGACNIPIK-UHFFFAOYSA-N 425.507 2.206 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 610166262 JPMCBOHFEFMJMZ-KNQAVFIVSA-N 434.544 2.074 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@@H]2CCCO2)c1=O 612193637 XIPROXWPKWRUPL-IBGZPJMESA-N 446.528 2.483 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(F)(F)F)cc3)n(C)c2=O)cn1 732563387 WRUZYYBCUMTRMT-UHFFFAOYSA-N 432.427 2.068 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CCN1C1CC1 732664611 RSEKSIAFOGMMHB-MRXNPFEDSA-N 435.509 2.139 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C[C@@]2(C)CCOC2)C1=O 733075755 WPOWSCNQJXBILA-DYESRHJHSA-N 436.553 2.252 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1Oc1cccc(F)c1 737304737 AZOPVFXJPXDSFI-VXPUYCOJSA-N 438.415 2.199 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742213257 FYLIHYNCCISVTG-FCLJQHQZSA-N 431.562 2.173 30 10 IEEE C=CCSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 745115367 GCGGUYGYHJZEJK-UHFFFAOYSA-N 449.392 2.119 30 10 IEEE C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 745812917 GAZSPKUQJVAJPD-CVTQAYBASA-N 431.924 2.255 30 10 IEEE COc1ccc(C(=O)Nc2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)s2)cc1 758224495 CDEBRNFSUDPMJB-UZYVYHOESA-N 440.481 2.265 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 759172488 XTPYMASGMKNMKE-UHFFFAOYSA-N 435.387 2.418 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)c1 768758796 UVKLUTZMPBMSJE-AEXIOTRNSA-N 442.488 2.132 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1CCC 772278208 PWDIBFKMJBTOFJ-UHFFFAOYSA-N 448.386 2.420 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)[C@H]1CCCO1 773549088 PDZAYTUPENUSNH-SJLPKXTDSA-N 438.450 2.152 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774511577 PUALYAOLGABVSQ-UHFFFAOYSA-N 449.576 2.347 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CCO3)cc1 783381519 HHIHWSLCLDGEIR-LYBHJNIJSA-N 442.497 2.012 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c1 783461952 FTHAJGWMSAXOLY-UHFFFAOYSA-N 439.378 2.349 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)n1 788330984 KCXLWMVQXXLJPS-SFHVURJKSA-N 434.418 2.316 30 10 IEEE CCn1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)cn1 795176608 JAJACGYVYIUTCE-GOSISDBHSA-N 446.552 2.242 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C(C)(C)C)cn1 796419909 RYTRRLUFPWDJIH-IRFCIJBXSA-N 449.511 2.329 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CCN1C1CC1 796810925 FKZZPBQSCUCVLT-GFCCVEGCSA-N 432.349 2.444 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCc3cc(Cl)cc(S(N)(=O)=O)c3)cc2C1=O 798562418 KOMNLDZPCKOALA-UHFFFAOYSA-N 434.857 2.126 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnccn3)n2CCn2cc(C(=O)OC)nn2)c1 803196424 HATABOWHJMTTQQ-UHFFFAOYSA-N 431.481 2.299 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(C)(C)C 807884631 RPXGDVXOPOEXST-MRXNPFEDSA-N 443.363 2.248 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(Cn2cncn2)CC1 809893292 LYAMNIWPPPXDNM-UHFFFAOYSA-N 436.520 2.399 30 10 IEEE C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc(NS(C)(=O)=O)c1 813593343 QKRMBZSLHFDMCJ-KBXCAEBGSA-N 429.502 2.249 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc(OC)c(OC)c3)n2N)cc1 1084452357 XUXAPZVEPBXSBN-UHFFFAOYSA-N 442.501 2.439 30 10 IEEE Cc1nsc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1C#N 1129711322 MBVGFMITMXCAKE-UHFFFAOYSA-N 439.950 2.435 30 10 IEEE N#Cc1cccc2c1CN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)C2 1130604226 POEAOGQHJLWNRK-UHFFFAOYSA-N 431.901 2.389 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)C1=O 1132108506 YAZSIWQBAHNOSB-OCCSQVGLSA-N 434.290 2.130 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C 1153739706 GDDYZINQCBNLIQ-GOEBONIOSA-N 428.493 2.250 30 10 IEEE COc1cc(I)ccc1C(=O)NCc1ccc(C(=O)NO)cc1 1155852443 BSCUJVFXUXJOIW-UHFFFAOYSA-N 426.210 2.349 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)N[C@H]2CCCN(O)C2=O)CC1 1159641543 OCUJWFSCMGPHCK-KRWDZBQOSA-N 432.521 2.365 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 1195738814 SKGUWQRQOHAUNC-OAHLLOKOSA-N 429.336 2.461 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1286376589 MCLRTXNLDSDHFX-CRAIPNDOSA-N 435.981 2.206 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286387620 GYYCOKYMCXNMJK-HZUJVAHNSA-N 432.546 2.024 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286390284 ZYTWUHIOINKBEG-IBGZPJMESA-N 439.516 2.463 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC(C)C)c1ccccc1OC 1286407343 IIHISEGGZOAJEM-PZJWPPBQSA-N 435.528 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCc2cnn(C)n2)CC1 1286473461 SYEAODGDUBWRAG-QFIPXVFZSA-N 432.576 2.337 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286481217 SZKQXPPETMQEEF-NFBKMPQASA-N 427.524 2.322 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286549551 XXIXQEKMNZWUEQ-IHPCNDPISA-N 441.580 2.200 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC)C1 1286556088 NIRHADUZXYKJQN-BNDYYXHWSA-N 430.597 2.379 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1286562739 MKIPNERYLHZODM-KSPYYYPUSA-N 447.580 2.003 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1286637970 QNLQAHWYFYKPTP-OALUTQOASA-N 438.642 2.413 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(C)C)CC1 1286814595 DDDARPBNKVFRML-UHFFFAOYSA-N 447.605 2.475 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286833149 WCVMZLIZUAGOED-IRXDYDNUSA-N 448.593 2.206 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(CN2CCOCC2)CCCCC1 1286958806 BQBDOLMOKHFXIX-LJQANCHMSA-N 445.612 2.295 30 10 IEEE Cn1cc([C@H]2CCCN2c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1298819552 BIUILKULITWHJU-VRTBNJGNSA-N 438.536 2.177 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1300391059 DYRCGINRECFYKK-QFIPXVFZSA-N 427.505 2.086 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300495904 KQWJVRAJPPVSPC-WOJBJXKFSA-N 428.558 2.074 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCOCC1 1300571706 KDBZOXVZBGJOIR-UHFFFAOYSA-N 425.920 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccsc2)CC1 1300729036 LZDFDWWKMICMNY-UHFFFAOYSA-N 437.573 2.215 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC 1300922538 KTPANZHJZYEAIV-PMPSAXMXSA-N 426.510 2.189 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1 1301000527 SMWZWMUGYKWJHV-UHFFFAOYSA-N 441.502 2.417 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1301518072 DPAVKFHXMTWZJI-UHFFFAOYSA-N 425.512 2.215 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnnn2C)C1 1301545964 OJKLCMKHNFCFEB-SFHVURJKSA-N 439.520 2.311 30 10 IEEE Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1304805071 JFFNFVANRVKBMP-QBNCKDSPSA-N 442.545 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)C1 1308122962 ZCAPBXCUVMUUJQ-UHFFFAOYSA-N 428.533 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)C1 1312469329 KQFWPYNCLJRNNJ-KCXPTXFHSA-N 432.496 2.255 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC)C2)CC1 1314494761 APOHJWWTQLIQRT-OAQYLSRUSA-N 437.592 2.317 30 10 IEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)CC1=O 1314925438 CGTXHCRUNPPTLW-GOSISDBHSA-N 435.557 2.460 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCOC2)c(OC)c1 1352007852 GOONCGBEDFDTOQ-WMZOPIPTSA-N 438.532 2.175 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1358930338 SUFDFJPQLBPVTM-HXUWFJFHSA-N 433.622 2.296 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1358959626 MLZKTLNWSHFJIT-HNNXBMFYSA-N 443.554 2.085 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1358961512 AKERXDUAVPYTMA-IBGZPJMESA-N 426.542 2.395 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1359010104 GSGOHFPUSFKTQH-MRXNPFEDSA-N 426.546 2.149 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2nsnc2c1 1359027320 FCSWAUFBWWYPMT-LPHOPBHVSA-N 442.545 2.141 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1359240295 KTFIYQSAMFWKHY-IBGZPJMESA-N 433.578 2.038 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(CC(N)=O)CC2)cc1 1359307775 VAWDCOZDKZPQMU-UHFFFAOYSA-N 433.516 2.440 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@]2(CCCOC2)O1 1463608380 HZZJAYFCRLVARZ-ZBEGNZNMSA-N 433.299 2.418 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C2/SCC(=O)N2C)c1 1464287550 BMUPLKHDLDGIOE-FHCHWCQOSA-N 436.559 2.265 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1464616604 RMQNRNDCVRYAEJ-SJORKVTESA-N 439.534 2.019 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)NCCCc3nn(-c4ccc(C)cc4)c(N)c3C#N)C[C@@H]1C2 1471104540 ZWVCULBUTKOGPO-SYJLOODJSA-N 436.516 2.208 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)C1 1472246692 OTBOZCZMCGNKAI-NFBKMPQASA-N 434.492 2.395 30 10 IEEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 1472598503 AEADMRLZUITSHF-UHFFFAOYSA-N 444.513 2.500 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC(NC(=O)OCc3ccccc3)CC2)nc1 1473728634 FWRUGDUFVRDNJN-UHFFFAOYSA-N 428.514 2.118 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)CC1 1475697066 HUODIIWSOWZGCZ-UHFFFAOYSA-N 436.299 2.467 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 1475949048 OXHJIZXWWFQSOG-MRXNPFEDSA-N 431.514 2.416 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN1C(=O)OC(C)(C)C 1478402809 FVNTUFGXOZLDSO-FXUDXRNXSA-N 437.541 2.443 30 10 IEEE CN(C)CCOCCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503404091 DNLUAMOEMABTQD-UHFFFAOYSA-N 437.592 2.318 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1503942886 FUBRGKHTALRKJP-GBESFXJTSA-N 442.564 2.309 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1507561216 OPIYVXZIHOPVJH-HXUWFJFHSA-N 436.560 2.364 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 1507590384 BRAXEODXNMHBAH-UHFFFAOYSA-N 425.533 2.022 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2cc(C)ccc12)[C@@H]1CCS(=O)(=O)C1 1507634510 NWQTUEXWGUHNAL-GOSISDBHSA-N 425.558 2.500 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCN1CCCO 1507656519 JCOXNLVCYAUVRA-NRFANRHFSA-N 430.556 2.270 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1507661364 SYDSHFIWSOAVDZ-QPPBQGQZSA-N 441.576 2.040 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCc1nc(C)no1 1507710682 JLHIJSGNQNCRDK-IBGZPJMESA-N 438.488 2.201 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507718089 AZIIMEDEUXTHHS-DPLHUUCSSA-N 446.640 2.268 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1507721125 YUAXPWADMRLWNF-HFMPRLQTSA-N 445.608 2.279 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1508080175 LHGAKEQQAZAZLC-UHFFFAOYSA-N 449.559 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C)c(C)s2)C1 1508126765 SFZSLRGPPMAYNP-JKSUJKDBSA-N 437.591 2.083 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1508415267 BAJADOLABZVUPJ-CVEARBPZSA-N 430.509 2.045 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1510299085 CVKUPHVYNJXGQM-KRWDZBQOSA-N 443.502 2.119 30 10 IEEE CCc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513943095 PVQKOXQDJJYDSK-JRWGXLCNSA-N 436.516 2.119 30 10 IEEE CCOC1CC(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)(N2CCOCC2)C1 1516367184 HIEZBVJBUDVWCI-LFDKBHOUSA-N 446.596 2.180 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)c1 1516947892 CJBSXGKCNVSZGZ-XMMPIXPASA-N 449.559 2.394 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1518818036 MZOHAUIDKMUOHZ-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2nnc(C(F)F)o2)c1 1534106631 XHPXIISFLPKURK-QRVIBDJDSA-N 427.433 2.391 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Cl)c(OC)c2)CC1 1539443926 BKJLMNCIXLTOFW-UHFFFAOYSA-N 439.951 2.339 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1539514336 XYWWWSNCSTYTSN-UHFFFAOYSA-N 438.605 2.437 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1539514686 SZNPSUYJAVKHAM-QGZVFWFLSA-N 444.536 2.178 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539630156 ZBRXKVDUZTUATJ-AOIWGVFYSA-N 433.578 2.278 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1540137572 VAPVXAIVPSBQRR-SJLPKXTDSA-N 435.569 2.462 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCCCC2)C1 1540864469 AXESPRIDGUPMNR-IBGZPJMESA-N 439.520 2.220 30 10 IEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(=C)CC1 1540873944 PLCMEDXGSDYWHX-UHFFFAOYSA-N 449.603 2.101 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1540887619 AJIPFKWFDHVJBS-WOJBJXKFSA-N 426.565 2.478 30 10 IEEE C#CCN(CC(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1)C(=O)OC(C)(C)C 1540994169 LFQIOIOFIQNFSL-UHFFFAOYSA-N 431.489 2.161 30 10 IEEE Cc1c(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)cnn1CCC#N 1544921284 BNQXCUWAPVNHPM-UHFFFAOYSA-N 436.560 2.206 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C#N)o1 1548301012 IAFYNQWQFFVMHH-OAHLLOKOSA-N 428.518 2.421 30 10 IEEE Cn1ccc(C(=O)N2CC[C@@]3(CO)CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C2)n1 1548366679 DRPCGRRJJKFDEX-QRWLVFNGSA-N 433.434 2.272 30 10 IEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C(C)C 1548372459 HHZGFLADVISZSB-KRWDZBQOSA-N 426.439 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](F)C1 1558867810 IWPRFOIUBYLQBE-SJORKVTESA-N 428.468 2.403 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 1560009620 ZJHMIVGPROZXEN-VBKZILBWSA-N 436.350 2.447 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)C1 1562747960 ZVCZNFBNPXFQDK-LJQANCHMSA-N 427.530 2.243 30 10 IEEE C=CCOC[C@H](NC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1568155001 XHCMAQTVLAAMCL-FDDCHVKYSA-N 432.517 2.426 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1587765555 HZGAJMOIPABKEM-AEFFLSMTSA-N 435.550 2.205 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCS(=O)(=O)C1 1587974830 BSAVVGRDERWPGB-INIZCTEOSA-N 425.514 2.494 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588065328 WWNGPPIPMFVGRM-MISYRCLQSA-N 434.606 2.453 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1588872172 YDBDPSZCXZJLBK-GOSISDBHSA-N 434.585 2.073 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1589259225 ITWPVGGEHLRPNP-UVSNUMOOSA-N 445.608 2.494 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1594803560 XQTKEIVHCGLPET-UHFFFAOYSA-N 447.547 2.173 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1617346492 GRHOSAQLILRJCD-KRWDZBQOSA-N 446.577 2.104 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2cc(C#N)cs2)C1=O 1617857749 QKSZSZFTGFRWTL-NRFANRHFSA-N 426.498 2.362 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3[C@H]3CCCOC3)CC2)cc1 1618477140 CKJNFBDZLPHRKZ-SFHVURJKSA-N 443.529 2.146 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NCCCCn1cc(C(N)=O)nn1 1625542078 BVDCZCDHLDRZAY-UHFFFAOYSA-N 437.298 2.306 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(N)c1 1626475612 VUBUKDHKCACDBW-UHFFFAOYSA-N 426.498 2.035 30 10 IEEE C=CC1(CC(=O)NCc2ccc(N3CCN(C)CC3)nc2)CN(C(=O)OC(C)(C)C)C1 1629319837 MITIWPPIENYBMK-UHFFFAOYSA-N 429.565 2.263 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1 1630062668 DNNZTASZUSAVMG-FCEUIQTBSA-N 436.533 2.370 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1630300929 SZVIJGXUMJLJCU-DIBVOSKASA-N 446.500 2.182 30 10 IEEE N#Cc1ccc(C2(NC(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CCC2)cc1 1631228320 SNNYOSGNVWKPTK-UHFFFAOYSA-N 430.555 2.433 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1631230921 CITXMGCXYNVYIO-UHFFFAOYSA-N 445.570 2.093 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CC[C@@](CO)(C(F)(F)F)C1 1634206634 SBKUAZKTSCCSOH-GFCCVEGCSA-N 425.276 2.219 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)cc1 1635061390 RTNAWVDOWRKJRS-IBGZPJMESA-N 447.557 2.215 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1641843175 MJJVVWHJNAXMOX-KRWDZBQOSA-N 430.482 2.027 30 10 IEEE CC[C@](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)(C(=O)OC)c1ccccc1 1642548262 LWFNIUNIIFEVJQ-JOCHJYFZSA-N 443.525 2.048 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C1(CO)CCC1 1643776773 BNLXHUFASGEFIV-JXFKEZNVSA-N 427.526 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1649539156 KCIYEVHVIPOSIT-AWEZNQCLSA-N 446.349 2.448 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)C1CCOCC1 1663819174 FXMBPOBNGRYQGO-CYBMUJFWSA-N 427.320 2.329 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1666334816 DOVAXGJDURVOFN-UHFFFAOYSA-N 441.937 2.055 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCn2cc(C)nc21 1690108301 UDOOPZFDYQKPJK-AABGKKOBSA-N 442.564 2.171 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690720366 GUHDESJUIPRMQY-XMSQKQJNSA-N 446.573 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690723586 WIAAZCTVQJCBEH-QGZVFWFLSA-N 432.594 2.339 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(C)CC1)C1CCN(S(C)(=O)=O)CC1 1696630460 BIWPETUEIJGDOI-UHFFFAOYSA-N 428.562 2.477 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCN(C)CC1 1705490999 VOQXRHSIULGZAZ-OAHLLOKOSA-N 430.578 2.291 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560922 OLZUJBUAWGNESC-GOSISDBHSA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705570353 PEFALAPFFZGHPE-LJQANCHMSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCCC1 1705602259 OJDWVPMJVCKSSJ-UHFFFAOYSA-N 435.528 2.374 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1705612159 AVCHMHFIHYCXPW-HXUWFJFHSA-N 429.590 2.162 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(OC)CCOC1 1705618516 JZFCNPDGGSHEDN-HSZRJFAPSA-N 441.507 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(C)C)CC1 1705645660 ZREJSRXDYRDHSR-QHCPKHFHSA-N 431.581 2.331 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](c2ccccc2OC)C1 1705936338 OVTMMUNTWGNGSL-ROUUACIJSA-N 446.573 2.385 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705940271 ZTIQSYQDFCRYCQ-DLBZAZTESA-N 444.561 2.229 30 10 IEEE CC[C@H](C)c1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1708419645 RIJKBEPXUSSHQY-HOTGVXAUSA-N 435.550 2.335 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1 1709908598 BVQGUEXNKGGKBV-GOSISDBHSA-N 426.521 2.070 30 10 IEEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN/C(O)=C1/N=CC=CC1=O 1711940602 DLRFFEORIHPHDL-AYAKEVCGSA-N 435.488 2.218 30 10 IEEE COC1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1712038504 FRPAUYCPZFGKCA-OZODEMHJSA-N 433.553 2.253 30 10 IEEE COCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1712464194 YCLOKQRENNZGHA-HSZRJFAPSA-N 440.548 2.163 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)Cc1cnn(C)c1 1722330816 XPXZKAILOUKGOS-UHFFFAOYSA-N 440.577 2.412 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(C)cc2C1 1722332681 NWDBHFWXGXVZDK-GOSISDBHSA-N 428.558 2.473 30 10 IEEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1\N=CC=CC1=O 1722348918 BHPSYDIVFWJYDL-LSDHQDQOSA-N 427.468 2.089 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncc(CC)s1 1722350086 LLIBESPRCLQIEW-UHFFFAOYSA-N 429.575 2.375 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCOC 1722357421 COODEZHTGYHPJB-SFHVURJKSA-N 434.585 2.388 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCCCC2)nc1 1722373543 JKQMVLJBUQVCKA-VWLOTQADSA-N 448.571 2.437 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1722412761 DIQVAZLGQRWCPV-SFHVURJKSA-N 432.569 2.142 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(S(C)(=O)=O)cc1 1722420788 LPYARXHVUFDTFV-UHFFFAOYSA-N 428.514 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCc1cccc(C(=O)NC)c1 1722425097 MJUJEXKQVAQYIK-UHFFFAOYSA-N 432.528 2.337 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCN(CCC)C2)CC1 1722440636 CLZKLEUEGRLCTH-HXUWFJFHSA-N 440.567 2.483 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723107924 RQAGTKUWTFJPKW-CVDCTZTESA-N 439.564 2.172 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1723774774 VYZIPILIUFIBCH-AWEZNQCLSA-N 432.506 2.416 30 10 IEEE C[C@H](COCc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1723883975 HCBDZJHPVNNXNO-AZUAARDMSA-N 438.532 2.096 30 10 IEEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CC1 1729316168 DGYVWEJPLOTMIE-FQEVSTJZSA-N 442.589 2.170 30 10 IEEE COC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1729802251 SGDGIVSZXDMQGW-UHFFFAOYSA-N 427.490 2.035 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccccc3F)n1CCOCCCO)C2 1731180332 HGAZESLHHXAHIG-UHFFFAOYSA-N 438.463 2.018 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1740547929 CBOYFSNGVADAQQ-WMLDXEAASA-N 430.509 2.389 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN2CCC[C@@H]2C)c1 1740564645 SWVFDFSPIBJWIY-ICSRJNTNSA-N 436.560 2.323 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1740622627 FFNCCUMMDVHHTR-SJORKVTESA-N 441.557 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCC(C)C 1740639272 UQHAXOILWBNNFM-UHFFFAOYSA-N 432.528 2.328 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OC)c2OC)CC1 1740694197 BTYJRIMXHVRIQC-HXUWFJFHSA-N 425.533 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCC[C@@H](C)C2)CC1 1740705209 CPYJTZNRXLGTPQ-TZIWHRDSSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](CC)OC)CC1 1740707960 WWLWOKMYWRWZQB-LJQANCHMSA-N 443.523 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1740956526 UMRCEOQAGGLFRQ-UHFFFAOYSA-N 427.402 2.280 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)C1 1740985532 RNOLXOJWWYVENQ-HXOBKFHXSA-N 441.532 2.125 30 10 IEEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1741688016 CVYHCIZZZLMXPT-UHFFFAOYSA-N 449.515 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748638889 YPZSKYLRDFAFMS-UXHICEINSA-N 437.592 2.085 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1748812534 VSAKDWDRUAQIPH-HOCLYGCPSA-N 444.586 2.469 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2ccccc2s1 1748826635 WYQBIEGKJXKETK-OAHLLOKOSA-N 427.555 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)COCCO2)CC1 1748983015 GWEZOBDYRMUAML-OAQYLSRUSA-N 433.915 2.298 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[S@@](=O)C(C)(C)C)CC1 1749014779 NYBLPMQHSKAXBI-SSEXGKCCSA-N 435.638 2.380 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 1749216437 NENLKDDNINGWPQ-UHFFFAOYSA-N 442.545 2.368 30 10 IEEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1749844895 LUYMJHFQHBAWPP-QGZVFWFLSA-N 434.541 2.363 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1760160845 QCFOQGHNVZECKH-HNNXBMFYSA-N 427.509 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCO[C@H]1CCOC1 1760214690 YJMFZSHPLRAHQE-FQEVSTJZSA-N 436.512 2.375 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCN(C(C)C)CC1 1760230608 KVRHFJLGNRUWMJ-UHFFFAOYSA-N 425.533 2.369 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(COC)CCOCC2)CC1 1760255251 WVZHGRVSKWNLBQ-UHFFFAOYSA-N 439.560 2.152 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760347456 BIUIWTCDXLAOHL-UHFFFAOYSA-N 429.594 2.318 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760361129 SRLQQGMUPFJQFH-HXUWFJFHSA-N 441.532 2.390 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760516090 JGPKXTDIMRZJSA-SQNIBIBYSA-N 425.489 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC)CC1 1760554079 QSTZXPALGVSKBO-UHFFFAOYSA-N 435.550 2.233 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1770664217 FCFJNCHAALIHKV-WRWLIDTKSA-N 427.505 2.364 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1771110089 FJPYMCIRRKYXPB-UHFFFAOYSA-N 437.548 2.294 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CCO1 1771538290 AMUFJJYNVUBSKJ-LPHOPBHVSA-N 435.937 2.107 30 10 IEEE N#Cc1cnn2c(NC(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)c(-c3ccccc3)cnc12 1851814553 YROIFPJPCJVPGA-INIZCTEOSA-N 430.468 2.234 30 10 IEEE N#CCCN1CCN(C(=O)c2cn3ccc(Cl)c(I)c3n2)CC1 1852120219 GPKCYDNHOBCNRU-UHFFFAOYSA-N 443.676 2.264 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N=c3[nH]n(-c4ccccc4)cc3C#N)CC2=O)c(OC)c1 1852564512 UDRPBFHSFAZYJS-HNNXBMFYSA-N 431.452 2.175 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)CSC3CCCC3)C2)CC1 1855910437 GRRCUJAZJGYFCO-QGZVFWFLSA-N 427.574 2.126 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2C(=O)O)c1 1862701708 LOGMLYMANAHKRT-IBGZPJMESA-N 438.436 2.108 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1cccc(OC)c1OC 1864653189 TVHMGSCQXDFQIU-LBPRGKRZSA-N 438.406 2.453 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1cc(OC)c(O)c(OC)c1 1864961286 XGQWACDEBQEQHK-INIZCTEOSA-N 428.489 2.185 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868795352 KIHUPSGOEUTSQO-PMACEKPBSA-N 445.633 2.472 30 10 IEEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870387044 NGNLNPMXGFJTLQ-NRFANRHFSA-N 445.947 2.497 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1 1874303608 IQOBSDQYLJEFFS-SSDVNMTOSA-N 427.486 2.138 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)ccc21 1891850317 OYYNWDQPDVEZFR-GOSISDBHSA-N 440.525 2.342 30 10 IEEE CC1(C)OB(c2cncc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)c2)OC1(C)C 1951687400 HGJYNUAFVOICAG-GOSISDBHSA-N 426.278 2.303 30 10 IEEE C=CC1(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2(O)CCC2)CN(C(=O)OC(C)(C)C)C1 1993333610 HWWSZXUNSHEHPI-CQSZACIVSA-N 425.526 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678008 LEOHWJYZBCYITN-OYHNWAKOSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@H](CS)C(=O)O 2229115549 GTPGCIMOUQRFQP-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243371717 ICIPUWOVEDKHOB-LBPRGKRZSA-N 425.360 2.333 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2249036888 LFEANULDHXZYRT-CVEARBPZSA-N 442.557 2.308 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H]1O 2254803935 VKAGZJVOGYVVFC-USXIJHARSA-N 433.358 2.457 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 2255154068 RCSCLNDWBDRVHL-WDEWVQCLSA-N 441.572 2.389 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2255628299 GIVJVWLZBWNGDK-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256621262 RYYSENPBYJBVSU-AOMKIAJQSA-N 434.342 2.011 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256624953 QGOGSDNRMYRUTD-RHSMWYFYSA-N 434.342 2.049 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCCONC(=O)OC(C)(C)C 2257487718 POPPWALBMMVOEA-UHFFFAOYSA-N 435.330 2.265 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135537 DMJNECTWHOJVEW-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142962 AWPNRAPUORZHDK-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267279573 KMIRMYJGBQSTGN-JLVBRIDZSA-N 443.353 2.318 30 10 IEEE CC[C@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN(C(=O)OC(C)(C)C)C1 2267496815 DZBBQYWBHLQNMR-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267523703 GDOPQJHQBLSCPL-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267524740 UWOZFJFBFUBJBD-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2269057948 OSGNEBGLMZAKGQ-UHFFFAOYSA-N 441.289 2.322 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1 2269720111 WGGHOKMBMVRBDJ-INIZCTEOSA-N 447.341 2.360 30 10 IEEE COC(=O)c1ccc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SCC(N)=O)cc1 2329260343 IADSCGXGLWTKKM-UHFFFAOYSA-N 439.497 2.124 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2cc(Br)cc(C#N)c2)C1 2379812956 DUVCKYYLAVRGHI-INIZCTEOSA-N 435.322 2.492 30 10 IEEE Cc1nn(C)cc1/C=N/Nc1nc(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 20424334 OMYFNSUIULINLW-GIJQJNRQSA-N 429.466 2.322 30 10 IEEE CCOC(=O)C(=NNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(=O)OCC 59449575 XJLJXAQRLCSTGZ-UHFFFAOYSA-N 445.497 2.332 30 10 IEEE N#Cc1c(CCCNC(=O)CNC(=O)c2ccsc2)nn(-c2ccc(F)cc2)c1N 108827090 PYPGFSYQBCBLQF-UHFFFAOYSA-N 426.477 2.006 30 10 IEEE C[N+](C)(CCN1C(=O)[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O)CC(N)=O 250853075 NKQOYDGTAIUCLY-HIGZBPRKSA-O 432.544 2.287 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[C@@H]3CCCC[C@@H]3O)CC2)cc1 433264490 ZTPTYMZLGCZXKH-RXVVDRJESA-N 433.574 2.406 30 10 IEEE CCCCn1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 448293828 KHJGFBRBFDQTRM-UHFFFAOYSA-N 430.534 2.402 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N[C@@H](C)C(=O)OCC)cc3)cc2C1=O 464273964 FIBURIJIYCFNIY-AWEZNQCLSA-N 449.463 2.402 30 10 IEEE COc1cc(OC)c(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c(OC)c1 488228997 DJZNBXREOQZZJK-UHFFFAOYSA-N 429.458 2.274 30 10 IEEE CCc1cnc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)s1 538352117 RHWNPTGDCLFPPB-GOSISDBHSA-N 444.630 2.298 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3n[nH]c(C4CCC4)n3)nnc12 544812090 HHMGWGFBUDJDLV-UHFFFAOYSA-N 436.501 2.347 30 10 IEEE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)cc1S(=O)(=O)NCC#N 549202032 DTVOVSXDMSIXLX-ROUUACIJSA-N 427.530 2.081 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3Cc3ccccc3)CC2)c1C#N 549533556 ABORRHNAORDIKE-IBGZPJMESA-N 432.532 2.071 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCCC1 552901021 QNRMFTJFWJNAEN-GOSISDBHSA-N 436.516 2.026 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)n1 553164558 VPLUDVWVKKIWHT-OLMNPRSZSA-N 426.908 2.393 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cccc(Br)c1C#N 553533349 KGICZRMTUPDXQZ-GFCCVEGCSA-N 447.314 2.398 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 561803913 IANDBWFFIORSSJ-HXUWFJFHSA-N 427.530 2.302 30 10 IEEE CN(CC#CCN(C)Cc1nc(-c2cccnc2)no1)Cc1nc(-c2cccnc2)no1 562846385 XRWNLTCPEUUQFB-UHFFFAOYSA-N 430.472 2.144 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 575956904 HPYSMGCNBMEXOC-VQIMIIECSA-N 447.561 2.289 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1C#N 604002648 DRPZEYHAVNLHMV-UHFFFAOYSA-N 446.919 2.206 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 614902894 JREUVEATNFRZCN-MRXNPFEDSA-N 437.546 2.240 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1=O 728831855 XTAXSFXVGQFFFO-UHFFFAOYSA-N 432.480 2.125 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)cn1 735069556 VZNYEIUHNPPWBN-UHFFFAOYSA-N 449.580 2.089 30 10 IEEE COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1ccc(OC)c(C#N)c1 747007980 NYSMMMBEBWEOTE-DEOSSOPVSA-N 449.463 2.236 30 10 IEEE Cc1noc(C)c1CCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 753666820 QPNUVPUEHOHEBA-SFHVURJKSA-N 432.546 2.494 30 10 IEEE C#CCN(C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 754059678 UFXXRYZPZRUNBD-UNMCSNQZSA-N 446.594 2.137 30 10 IEEE COc1ccc(Cn2nc(C)c(C=c3sc(=C(C#N)C#N)n(CC(C)C)c3=O)c2C)cc1 766388778 QNHXJEOKWMGQBU-UHFFFAOYSA-N 447.564 2.463 30 10 IEEE COc1ccc(Cn2nc(C)c(C=c3sc(=C(C#N)C#N)n(C4CC4)c3=O)c2C)cc1 766393369 RAARTFUQBGJVGF-UHFFFAOYSA-N 431.521 2.142 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1CC 772276321 MNRYEROHPDNKCV-UHFFFAOYSA-N 434.359 2.030 30 10 IEEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)C1CCC(=O)CC1 773979317 ZRYRGIPGLLEHHD-IBGZPJMESA-N 431.514 2.268 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)/C=C\c1cccc(Br)c1 780749950 IQXWQHWMBQKWBJ-WTKPLQERSA-N 438.307 2.293 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)N(c3ccccc3)[C@H]3C=CS(=O)(=O)C3)CC2)cc1 781397209 DTJUEJLRYLMPBZ-FQEVSTJZSA-N 436.489 2.477 30 10 IEEE C=CC[C@]1(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790764609 ABABBAQCCWHEEB-NTKDMRAZSA-N 448.608 2.487 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCO1 790862628 KHMDTSIWEVHZTG-CXAGYDPISA-N 427.498 2.141 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1C 793469201 OZVJZSYYKOVOKX-UHFFFAOYSA-N 448.548 2.421 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796426227 WQFPRXLRUOXVGA-IDWSUWKASA-N 431.537 2.094 30 10 IEEE Cc1cc(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(C)n1C[C@H]1COc2ccccc2O1 798740767 BNRMNGXURGOJLN-IRXDYDNUSA-N 449.467 2.395 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 802564203 AMRXPWNEPNIUIJ-CVEARBPZSA-N 439.582 2.250 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCN(CCC)C(=O)C1 809915930 USQJDFPPMLURSH-UHFFFAOYSA-N 426.521 2.339 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1)c1ccc(Cl)cc1 810470209 FCUUAYSWGFUJHT-SFHVURJKSA-N 441.871 2.062 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)CC1(C#N)CC1 815896419 FUIXOUINQZPXGE-UHFFFAOYSA-N 439.559 2.139 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCN(C)CC2)C1 816643616 KPKZNHGUCFQREA-GOSISDBHSA-N 432.590 2.228 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)cc1 1125399058 QPBZEONNXTWALJ-UHFFFAOYSA-N 428.533 2.249 30 10 IEEE C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 1168910989 NEZCTFAAUSTHFV-INIZCTEOSA-N 425.514 2.036 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cc(Br)ccc2OC)C1 1179982068 BCFSCOLSSKTMOX-HNNXBMFYSA-N 439.306 2.230 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(n3ncc(C(=O)OCC)c3C)CC2)c1 1194232041 SFAYKKZVMBEIAB-UHFFFAOYSA-N 437.500 2.335 30 10 IEEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CCC[C@@H](C#N)C3)C2=O)cc1 1197621695 IKEWNDRCWIYLMT-DAQNXSASSA-N 442.541 2.473 30 10 IEEE N#CCCN1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1 1260562521 AUWLWIKABJJFDP-UHFFFAOYSA-N 437.157 2.432 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc(Cn3cncn3)c2)c1 1264634674 PADHOIVNYHDEKU-LKUDQCMESA-N 438.513 2.392 30 10 IEEE C#CCCCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286335339 POUHMZMLRSWUOC-XXBNENTESA-N 429.565 2.323 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286387480 RSXFBUIGAHZELB-HNNXBMFYSA-N 427.452 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC(F)F)CC1 1286492461 GCCBDYTWIQIGPL-INIZCTEOSA-N 425.480 2.115 30 10 IEEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC)C1CC1 1286737161 JZTRRNKWTCDRSV-UHFFFAOYSA-N 428.518 2.183 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1286776089 CFFOUIPPVIBKPR-NVXWUHKLSA-N 437.591 2.070 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)CC1 1288983052 JCSFYRCCWXTJOM-UHFFFAOYSA-N 433.419 2.365 30 10 IEEE CCNC(=O)c1ccc(Cn2c(CC)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1296272013 GWNYORJCRPOSHU-UHFFFAOYSA-N 431.500 2.173 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)cc2OC)CCOC1 1296663404 ICBYPGMAHKPRDT-GCJKJVERSA-N 427.505 2.024 30 10 IEEE CN(C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1298077251 CAVUXJXOLNFRPX-LJQANCHMSA-N 438.580 2.311 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cnnn1C 1298799103 VKSLKMZLXQAXMD-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1300481563 APEGMDFVJDMHKH-MISYRCLQSA-N 433.622 2.435 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300492930 PRENMOKBVFSLEE-RTBURBONSA-N 443.573 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1 1300578050 GFDOBZLSHJYXJF-IBGZPJMESA-N 426.542 2.109 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300990357 JRTSFVKNEIWPGL-FPOVZHCZSA-N 432.613 2.058 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1301356505 AIQCAFYRZPBAHW-OAHLLOKOSA-N 439.607 2.448 30 10 IEEE COCC[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301519314 XFUAYLDLAYGIFK-DVSFIDLUSA-N 430.553 2.256 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(C)C)C2)CC1 1301766326 FUMQUNONYWDYCQ-JOCHJYFZSA-N 435.576 2.463 30 10 IEEE CS[C@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302676443 CYHMGSFBBZNBIA-YGKKUGEXSA-N 446.577 2.378 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCc2cnn(C)c2)CCOC1 1303489934 PCTBOBGTZNOSSY-QFIPXVFZSA-N 427.553 2.425 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1303642201 VJQLPIQDNMJRKK-GDBMZVCRSA-N 434.541 2.172 30 10 IEEE Cc1cc(Br)c(F)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1309151583 GCHJQFSXAFDQNY-UHFFFAOYSA-N 434.331 2.133 30 10 IEEE CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1314185214 FCTHKPKOVBCKGY-IIBYNOLFSA-N 446.577 2.465 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)c1ccc(F)cc1 1315212415 CHPKWNOMLZYJAX-YXJHDRRASA-N 435.525 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1358980974 QUWZFDKSHGBJQG-UHFFFAOYSA-N 435.553 2.248 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOC2=O)cc1 1358991559 GBXPBJMQCIONJY-UHFFFAOYSA-N 427.468 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCO[C@@H](C)C1 1359026645 GLHRUDYLFXOTSW-DLBZAZTESA-N 431.562 2.171 30 10 IEEE C=C(Cn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1359139891 HUNUFFHIBSCVBF-TZIWHRDSSA-N 433.512 2.338 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@](=O)CC)C1 1359323444 OZPKEFPLDJTUDB-VPTFNQTCSA-N 428.562 2.067 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC(C)C)CCO1 1359447590 YGXGTZMLVOFACH-OAQYLSRUSA-N 440.548 2.363 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(Cl)c1 1360680450 BWUDAEHIHYLYAV-SJKOYZFVSA-N 426.905 2.032 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1442835710 DAOPAFBAQJBAEZ-QGZVFWFLSA-N 445.520 2.049 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1452859879 LQWSIPLZYWXPCB-WOJBJXKFSA-N 438.528 2.440 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1470630475 CDVAVKFIYIUNGP-UHFFFAOYSA-N 426.542 2.455 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC1 1477801995 LFUIEQSLBGXOKK-MSOLQXFVSA-N 446.514 2.285 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C 1479535210 JHOIAYPDJXBJOJ-KRWDZBQOSA-N 428.447 2.239 30 10 IEEE Cc1nccc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CC2)n1 1492703554 UZMVTUCCNHTUPW-UHFFFAOYSA-N 432.532 2.404 30 10 IEEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1503586481 PNBUAITXUVLZTD-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507623044 OHGKYVAOLKGZIF-WOJBJXKFSA-N 435.638 2.396 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCOCC1(C)C 1507644975 QRICLNWBFFVEPM-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCOC1 1507700545 SETWIWQZLDDFKR-SJLPKXTDSA-N 449.552 2.094 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@H]2C1 1507835886 OZQKCPRELXBQLA-SFHVURJKSA-N 425.537 2.193 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1507981406 INWDCVIIYFFGLM-UHFFFAOYSA-N 438.532 2.229 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1508071304 IFSPSLLTVXJTMX-IRXDYDNUSA-N 442.951 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1508072964 IFRWYQFSGVIPJT-OAHLLOKOSA-N 440.577 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)N(C)CC)C1 1508122702 GBAWXIDAZZIDAG-APWZRJJASA-N 427.505 2.050 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](COC)C1 1508140957 KPBORLKWLPPDKX-QZTJIDSGSA-N 426.583 2.026 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](COC)C1 1508150376 DGTDQNRIDCWAGP-INIZCTEOSA-N 426.550 2.313 30 10 IEEE C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)(N(C)C)C1 1512105268 HZCJIGJOQQFCME-IKVWTGGYSA-N 436.626 2.429 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1513355179 FUVDKYJCENZCGA-YWZLYKJASA-N 434.516 2.182 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(OC)c1OC 1513922411 APPXTWPAJHHLQF-INIZCTEOSA-N 448.531 2.283 30 10 IEEE CCOC1CC(O)(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)[C@H](C)CC#N)C1 1516393883 BDBZOMAOPLKGRT-LJHBPXGCSA-N 437.504 2.262 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1517105334 GADXAVMKYKXKFX-RTBURBONSA-N 429.546 2.115 30 10 IEEE COCC[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1518967733 CTYARGGGYBJKLA-UGKGYDQZSA-N 427.505 2.318 30 10 IEEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1519018603 FCCIKCDDOAPVCF-PMACEKPBSA-N 438.532 2.495 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)CC2=O)cc1 1522867724 GHIHCOMLSFKMMR-INIZCTEOSA-N 443.467 2.397 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1534973871 VWRTYYZKTZKAKV-UHFFFAOYSA-N 427.526 2.086 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)CC2)cc1 1535242763 LMXQULOAFSGVGA-MRXNPFEDSA-N 437.431 2.307 30 10 IEEE N#C[C@]12CN(C(=O)[C@H](c3c(F)cccc3Cl)N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1539118243 JSXWHAKXEGSTHI-ADLFWFRXSA-N 439.940 2.403 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCn1cc([C@@H]2CCOC2)cn1 1539196498 PLRMWDXINASFGW-GOSISDBHSA-N 436.516 2.336 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1539257138 PCHBSBJDJARUJI-IBGZPJMESA-N 444.539 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1539296079 KQODYAMXECCIMU-KRWDZBQOSA-N 449.490 2.173 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 1539328375 QTEMHUUYFWUIRI-QFIPXVFZSA-N 448.615 2.366 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H]2COCCO2)CC1 1539460188 ZNDDRXRYUJNFLK-OAQYLSRUSA-N 439.560 2.035 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1OC 1539567308 VGNNQCYSKCWGNK-DRSNIGMVSA-N 443.573 2.313 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1nncn1C 1539579185 IPNRKQMBFUIVAR-UONOGXRCSA-N 440.346 2.381 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539621594 RQMGEGMXDPUDPG-PGRDOPGGSA-N 442.539 2.468 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1539967870 VOVJJSPXWOUKEK-OAHLLOKOSA-N 433.525 2.203 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cs1 1540604441 UELXJVORXZIDMI-UHFFFAOYSA-N 442.545 2.326 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540868027 PHVZSYCQHDVGMO-HXUWFJFHSA-N 429.484 2.092 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1540875782 XWFMSMLPYFLBPU-VQIMIIECSA-N 429.521 2.029 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1540888944 BGXULBQCDZRORC-GEFUHLBYSA-N 440.573 2.387 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1541803152 DGHNOWFPOPFNIQ-OPYAIIAOSA-N 434.610 2.118 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)N1CCOCC1 1541866560 LNDDFPFLVYWFPM-UWVAXJGDSA-N 428.512 2.244 30 10 IEEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1545125893 TZCKTSYHCYXBNN-WIYYLYMNSA-N 440.548 2.065 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 1568181041 DIZDIWMYGWVRGH-UTKZUKDTSA-N 429.473 2.152 30 10 IEEE C#C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1586104612 XSFPNMIMCGNYES-LBPRGKRZSA-N 446.310 2.169 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1587561058 ALDKEALGKCEWEQ-CHWSQXEVSA-N 425.555 2.256 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CNC(C)=O)C1 1587783803 YJBCAQPUZIZLLM-GOSISDBHSA-N 442.589 2.426 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595506615 HGDAUUWNIAAKAV-GDBMZVCRSA-N 449.939 2.149 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1=O 1595863814 WUWONCXUABHJNL-IBGZPJMESA-N 437.500 2.322 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1595890252 NMQBBWJQGFAYRN-KRWDZBQOSA-N 427.534 2.452 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595890522 XMYSPNJSJPJINQ-GOSISDBHSA-N 442.589 2.353 30 10 IEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1603145282 GOZTZMDXMCRRAP-GJYPPUQNSA-N 444.561 2.059 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1611790566 HFSOWZARIAOPOD-IBGZPJMESA-N 438.532 2.103 30 10 IEEE COc1ccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C#N)o2)cc1 1619177396 UFMSQSSZUYMMES-UHFFFAOYSA-N 441.513 2.480 30 10 IEEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619799604 NCXUGQKAWBLMFN-YGCDDZCOSA-N 440.504 2.236 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@](C)(C(F)F)O1 1620435698 FFLYEJXQZWTBLG-LHSJRXKWSA-N 449.458 2.199 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)ccc1F 1623529212 ISAMYRKBGHQYSE-UHFFFAOYSA-N 431.445 2.196 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)OC 1623579112 BUDFXEAFJJFCBF-ZWKOTPCHSA-N 432.517 2.450 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)C1CCOCC1 1624861526 FWYQLJLAQDBSPS-MRXNPFEDSA-N 436.354 2.146 30 10 IEEE N#Cc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)ccn1 1626738051 QGFOLNMNKPGZQQ-UHFFFAOYSA-N 449.330 2.430 30 10 IEEE COc1ccc(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 1628465030 LOFLSYWBPWYDKY-OAHLLOKOSA-N 428.514 2.035 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCCNC(=O)c1ccc(Br)cn1 1629207647 FZJCBMDWEQVWJG-UHFFFAOYSA-N 447.337 2.050 30 10 IEEE CSc1nc(O)c(C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1C#N 1630621804 IARUJZWBLQYBOH-UHFFFAOYSA-N 440.529 2.027 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@@H]1CCCc2ccccc21 1635883958 GCZHVJZFPAADAK-HTAPYJJXSA-N 426.538 2.499 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1638151882 OFJYXRZPDJAOKU-DTWKUNHWSA-N 427.292 2.210 30 10 IEEE Cn1nccc1[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1639618605 AWPWAOXQTSSEOF-IBQBPIARSA-N 429.521 2.107 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)COc1cccc(Br)c1C#N 1646541650 VURNGMCIMLISRJ-ZDUSSCGKSA-N 433.262 2.334 30 10 IEEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)NCC2(C#N)CCOCC2)cc1 1653634036 FNSRROBPPWKGHT-UHFFFAOYSA-N 433.530 2.362 30 10 IEEE CC(C)(C)c1cc2n(n1)CCN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2 1654984553 IPJBPGBSIADJQI-SFHVURJKSA-N 426.590 2.467 30 10 IEEE CCC(=O)c1cccc(C#N)c1OCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 1656805141 HYBFOIQTDIERKJ-OAHLLOKOSA-N 430.486 2.033 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2(c3ncccn3)CCOCC2)cc1 1667321669 CKWONBNVSHBXGP-UHFFFAOYSA-N 431.518 2.111 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])n1 1674637759 UARZQIATKDFCKD-UHFFFAOYSA-N 425.493 2.230 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccnc2OCC(F)(F)F)n1 1676704298 NXRGJYACNZKMAD-UHFFFAOYSA-N 425.411 2.211 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C#N)C1 1679943987 FPPNSVDYEDWYBZ-YLJYHZDGSA-N 443.548 2.206 30 10 IEEE COc1ccc(N2C[C@H](NC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)cc1 1682606212 DQDLQJRGVVJJCR-QZTJIDSGSA-N 434.500 2.353 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1690011752 BXHLZFZBDLRFKH-UHFFFAOYSA-N 436.829 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(C)cn1 1690043903 RZKSFOADKJGSHO-UHFFFAOYSA-N 426.484 2.262 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sc(C)nc2C)CC1 1690113484 KXODZYFBSUHZRQ-JOCHJYFZSA-N 444.605 2.196 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690182506 AQGYUSPRBFABKH-FQEVSTJZSA-N 441.601 2.361 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690466969 HRHXRISTUDNMIB-IBGZPJMESA-N 427.553 2.167 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690480718 ODHBYSVKAWBGCD-UHFFFAOYSA-N 438.580 2.272 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1690573917 IGUCQAZKJMAWAQ-FGZHOGPDSA-N 447.605 2.251 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)C)C1 1690662197 UJLNZZUWZVVRGE-HNNXBMFYSA-N 437.342 2.199 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1691001305 GSPZCSUKGRXWOA-STQMWFEESA-N 437.426 2.318 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(C)C)CC1 1692538985 XTPQRUYPDREROY-UHFFFAOYSA-N 436.564 2.446 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1696051052 CFPXQSYRKVUSED-FCHUYYIVSA-N 448.543 2.021 30 10 IEEE C[S@@](=O)C1(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CCC1 1698338527 YKXFLDYOLPEVGL-SSEXGKCCSA-N 428.562 2.412 30 10 IEEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705549130 IRMKKOZOTUDADN-FHWLQOOXSA-N 438.532 2.434 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1705559706 FCQTVGHUEDHUCK-LLVKDONJSA-N 425.299 2.016 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1705604853 VIIVRQDSECCARC-OAHLLOKOSA-N 428.518 2.051 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705631231 XIWLUGQYSLYURN-OAHLLOKOSA-N 443.495 2.376 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(OC)c2)CC1 1705638875 AGLFUCLDNKGXFL-HXUWFJFHSA-N 425.533 2.340 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1705669668 SNZNYTKFLGBUTN-WOJBJXKFSA-N 447.381 2.105 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705895487 IIIVNJJLGDCTIF-HIFRSBDPSA-N 448.369 2.011 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1705938284 UCMBPEUWISSQQZ-INIZCTEOSA-N 449.552 2.338 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1709428931 BTQBJWRGDHRLOP-LJQANCHMSA-N 447.547 2.241 30 10 IEEE CCN(CCc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1710131294 ZLFVGVRONAWDSK-INIZCTEOSA-N 442.545 2.470 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1711180930 QYUTZVBTMYITKD-LJQANCHMSA-N 430.516 2.200 30 10 IEEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cc1F 1711811057 FUPYTQMJQGIXEW-UONOGXRCSA-N 438.529 2.017 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722334677 IAPKCCWFYVXVNH-UHFFFAOYSA-N 436.560 2.165 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(NC(=O)COC)CC1 1722338551 JXLKTGBGGWXSLC-UHFFFAOYSA-N 434.544 2.426 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722370535 CGDFZFIAPFCOKJ-NHCUHLMSSA-N 440.569 2.035 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722375532 NMGBBLYMPYMHFX-RTBURBONSA-N 441.557 2.124 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cnn(CCOC)c1 1722389893 MQLKOOXBAPVSEO-UHFFFAOYSA-N 433.472 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C 1722397800 UUCPMYHUDVPXDU-NHCUHLMSSA-N 445.633 2.154 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(NC(C)=O)cc2)CC1 1722436435 GGWUMOKKJTYZNI-QFIPXVFZSA-N 436.560 2.476 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722517425 ROFOTPSONWWDNA-LZJOCLMNSA-N 440.610 2.149 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1722537094 VBIDRPDZLLHRQW-IBGZPJMESA-N 440.548 2.226 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)[C@@H](C)C1 1722783552 WYJWHQNBBBKROI-LAUBAEHRSA-N 438.532 2.069 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN1CCCS1(=O)=O 1723346330 GMFDXBTVTIPPAD-UXHICEINSA-N 442.589 2.256 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C1 1723478150 YNYCFZMMJGHHGJ-RTBURBONSA-N 430.578 2.016 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCSCCCO 1724671576 FCJSXSHXNGIVDG-OAQYLSRUSA-N 440.617 2.470 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)cs1 1725343839 LAYFJRDDCGHYJG-WIYYLYMNSA-N 447.584 2.313 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 1727490935 YQAVOLVXGCIQNT-PBHICJAKSA-N 439.545 2.398 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1728120358 CDQZHXVEDKHRFF-UYAOXDASSA-N 442.589 2.172 30 10 IEEE CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCC(CC#N)CC2)c1=O 1728539649 LYEZYNMAPWVICZ-KRWDZBQOSA-N 428.537 2.362 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1729039516 BGKYGYTVGUOOAT-QFIPXVFZSA-N 428.512 2.443 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1729409769 UZJXOSGDLVPKNC-VQIMIIECSA-N 429.546 2.115 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)c(OC)c1 1730872717 DPCXSFRDZMUMEE-ZBFHGGJFSA-N 435.912 2.441 30 10 IEEE CS(=O)(=O)CCCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1731005294 OUDXXQIEFXKZBU-ZCNNSNEGSA-N 443.573 2.350 30 10 IEEE CSC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1731027460 RNGSOGVQBABMDX-UHFFFAOYSA-N 435.561 2.470 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740589034 NFLGGOPZDYUHGQ-LJQANCHMSA-N 426.565 2.262 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740623985 BQJUMPIKJCWCFC-DENIHFKCSA-N 446.548 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740636179 VADPSABWDVVKJI-NRFANRHFSA-N 432.528 2.331 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1F 1740708731 AJHWWUGIDIWAIV-CQSZACIVSA-N 425.555 2.030 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)C1 1740751725 OFAADLFARYXQHN-XRQWDYAESA-N 429.562 2.054 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740793283 QPRPHYYZWUKNKC-QGZVFWFLSA-N 437.504 2.107 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740955739 DWFBVDDFDXEASB-QGZVFWFLSA-N 437.504 2.332 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccsc2)CC1 1740958056 HRGTYHOYQUMOKQ-GOSISDBHSA-N 430.578 2.206 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1741124926 HFZLBDRUUTWLFD-WMZOPIPTSA-N 444.561 2.136 30 10 IEEE CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1741703329 BNSLFDBFIXBLPN-HNNXBMFYSA-N 434.953 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cccn2)CC1 1748977921 FEPPKTBJCPWGIO-UHFFFAOYSA-N 443.353 2.078 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)OC)CC1 1749017098 VZZMVLIMKLSALY-UHFFFAOYSA-N 427.524 2.399 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749199164 GUZUMNICKLLLCK-UHFFFAOYSA-N 438.532 2.435 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749666216 JIZXMCGNOQEXJJ-KGLIPLIRSA-N 431.566 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(COC)CC1 1749736636 MSOFGGFHNCSKRH-UHFFFAOYSA-N 436.553 2.472 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1750076457 NMXYNRPFJLBRBR-GXTWGEPZSA-N 441.479 2.436 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1 1751097128 DXUOWNQSMDVCJA-FQEVSTJZSA-N 447.591 2.163 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CSC)cc1 1760206301 WBTDYXLHKRVEJS-LJQANCHMSA-N 428.583 2.164 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760208647 HOAJJNBTBIFAPK-GBXCKJPGSA-N 441.576 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC(C)C)N(C)C 1760215121 PFERLZIWKODZBM-QFIPXVFZSA-N 445.575 2.360 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CC)OC 1760217261 VWYCXPOODYXQKE-QGZVFWFLSA-N 428.562 2.126 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN(C(C)=O)C1 1760220674 AAJJMVXJRRZOOH-NRFANRHFSA-N 443.555 2.238 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CCCO 1760224585 QAAGQAZAUNIGLD-NRFANRHFSA-N 438.576 2.454 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCOCCOC)CC1 1760258020 FDSOHMNBIYNYHK-UHFFFAOYSA-N 434.544 2.302 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C2CC2)N(C)Cc2ccccc2)CC1 1760265912 LSXSGRINQZMIAQ-HSZRJFAPSA-N 434.588 2.463 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760289145 IKRIDKWOBRILOY-PPEFQKSUSA-N 446.511 2.472 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCOC2)C1 1760550100 SACYUNGOCJKPFR-CVDCTZTESA-N 428.533 2.407 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)n1 1761984755 IDHXLXCALUKIJW-QGZVFWFLSA-N 433.516 2.375 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1768243197 HDSDNODTHLICQD-MOPGFXCFSA-N 429.546 2.257 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)C1 1769173347 WWPMAFHLZGOKND-NRFANRHFSA-N 428.562 2.444 30 10 IEEE COCCOC1(Cn2c(-c3ccccn3)nnc2N2CCC(C#N)CC2)CCOCC1 1770072017 GAYCBCLMERRFLY-UHFFFAOYSA-N 426.521 2.292 30 10 IEEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC(C(=O)N3CCC(C#N)CC3)CC1)C(=O)C2 1849070682 JRGANAYEAMFFLA-PGRDOPGGSA-N 435.590 2.186 30 10 IEEE CCCCN(C(=O)CCCN1CCS(=O)(=O)CC1)c1nc(C)c(C(C)=O)cc1C#N 1851240758 HFMGDUHHGVIOPV-UHFFFAOYSA-N 434.562 2.108 30 10 IEEE C[C@@H](Cn1cnc2ccccc21)C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851951890 FKZDDQNZWSKBDU-INIZCTEOSA-N 428.500 2.201 30 10 IEEE C#CCS(=O)(=O)CCNC(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O 1853243771 CNQLRGKITRHTDQ-FQEVSTJZSA-N 428.485 2.077 30 10 IEEE N#Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c(Br)c1 1853347531 MHKLTXKVBCMEMY-LLVKDONJSA-N 429.230 2.436 30 10 IEEE Cc1csc(C(=O)N2CC[C@H](N3CCC(C(=O)N4CCC(C#N)CC4)CC3)C2=O)c1 1853690121 BSWKTRRRRXTVFK-SFHVURJKSA-N 428.558 2.272 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)[C@@H]1C 1854296140 URNRESSLAVKNST-KBPBESRZSA-N 445.994 2.048 30 10 IEEE Cc1ncsc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1=O 1854354111 FIUGRGKDQPQUPA-KRWDZBQOSA-N 427.505 2.021 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1856548886 TXOPOUPPDUZQCN-IEBWSBKVSA-N 429.542 2.235 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cc[nH]c3c2)cc1 1859013234 RKRCKOUQJSTPAB-UHFFFAOYSA-N 425.466 2.189 30 10 IEEE COc1ccc(Cn2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1F 1870111194 CJRIHBBWASNNBY-UHFFFAOYSA-N 441.335 2.414 30 10 IEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccccc2)[nH]1 1871599241 FGXXPTAPDKZFBP-UHFFFAOYSA-N 427.597 2.346 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([C@@H]4CCCO4)cc3)CC2)CC1 1889383670 KMPGHXAGJDLFQX-DEOSSOPVSA-N 425.573 2.410 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1 1891364625 AFCYLQKLWJUQLJ-UPVQGACJSA-N 433.552 2.349 30 10 IEEE O=C(COc1ccc(-n2cnnn2)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 1891843188 LYHDDXAJGFSLLK-UHFFFAOYSA-N 431.374 2.259 30 10 IEEE C=CCN(CCC(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985013705 QLLYNFPICWARON-OAHLLOKOSA-N 427.542 2.286 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622172 WTTQTSKLUMTAGZ-JJTUDDRGSA-N 436.358 2.419 30 10 IEEE N#CC1(CS(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)CCCCC1 2174786101 GNRWSOITTREQFP-OALUTQOASA-N 435.546 2.464 30 10 IEEE CN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2243438208 INXBHMCEMSVQRT-UHFFFAOYSA-N 446.400 2.193 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)C1 2247565961 ZMLISTHNJVPCKD-TXCIGDHXSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247823744 QVJPCRXXUIENGV-UHFFFAOYSA-N 440.371 2.007 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2247836151 XLOXJKKIVHUUFM-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)s2)OC1(C)C 2247927008 AJRWWNVLIURSKZ-UHFFFAOYSA-N 428.363 2.024 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CN(Cc4ccccc4)C3)s2)OC1(C)C 2247951997 LIFQKPHEOVLFGB-UHFFFAOYSA-N 448.419 2.458 30 10 IEEE C[C@H](CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)CNC(=O)OC(C)(C)C 2248403525 DTEXJYHMTCWINA-GFCCVEGCSA-N 440.375 2.139 30 10 IEEE C[C@H](CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255543278 GCDPJIJGWWGYKF-CQSZACIVSA-N 436.362 2.095 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255544351 YELPIZXHAXKNRA-CYBMUJFWSA-N 436.362 2.141 30 10 IEEE C=CC1(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255701983 ZLEAVOVAOIOSGT-UHFFFAOYSA-N 429.326 2.286 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829369 NZOASIFIJUKWFO-GJZGRUSLSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256618742 SCXGYWSFWPDDEW-SNPRPXQTSA-N 449.382 2.314 30 10 IEEE Cc1cnc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267115126 GQHHABVJPKXCNB-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267164055 MOECFODGMVVBOZ-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267189271 YHEFAUFPLHRFMG-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267194056 MRTRNPKOMQIULE-CABCVRRESA-N 448.373 2.237 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263768 KDGRRCIEQAXJTR-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267274109 VTEQVTJLBHWPMW-ROUUACIJSA-N 446.353 2.086 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502583 PZZRQPILJOUNPW-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267524469 QLTKNNWXWVYCGM-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2267598558 BMDIRWXXJYSADH-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE Cc1cccc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267600598 JCENMGFPQXPRJV-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CCO 2267841290 MXINKQUBSIUYEO-QGZVFWFLSA-N 447.385 2.376 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267878867 CKYITVZYNMAACS-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267882041 NHZDZEBBMODTOY-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE CSC[C@](C)(O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282424570 DOMCUXQDJNYINT-OAHLLOKOSA-N 441.833 2.093 30 10 IEEE COc1nc(N(C)C[C@H](O)COCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2317502625 CXPLPWATNRVUJV-SFHVURJKSA-N 428.338 2.403 30 10 IEEE NC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(Br)ccc1O 2330939095 DLTXVNVWIFASHK-LBPRGKRZSA-N 426.296 2.057 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1C 2337397528 CZFOGFOOQKVKJZ-APWZRJJASA-N 438.381 2.278 30 10 IEEE CS(=O)(=O)C1(C#C[C@@H](NN)c2cc(Br)sc2Br)CC1 2342084100 ITFJZDQOMPDPIB-MRVPVSSYSA-N 428.171 2.358 30 10 IEEE Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4cccnc4)n(C[C@H]4CCCO4)c3nc12 2426691 IEZPKQRQIUHFHV-GOSISDBHSA-N 440.463 2.144 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 105279071 YVDQMDWBLTZZEZ-UHFFFAOYSA-N 442.317 2.184 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)/C(N)=N/O)cc1Br 155815672 MJFZNZUUMGRBFO-SSDOTTSWSA-N 429.134 2.181 30 10 IEEE CC(C)(C)OC(=O)N(CCc1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCNC1 394721882 DQXPETXOBXCDMU-MRXNPFEDSA-N 432.374 2.307 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1=O 410098442 JCMYVDUUJYWRIG-BBRMVZONSA-N 443.363 2.104 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 410322793 DLVBHHXSCPEQIO-IBGZPJMESA-N 426.542 2.412 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434853534 PNPUAFHSHPNAIZ-UHFFFAOYSA-N 425.489 2.376 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 460809317 MNUZFVOZWDTSBY-INIZCTEOSA-N 425.580 2.275 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 465625215 HNKFQOZFNRIHKT-UHFFFAOYSA-N 430.530 2.467 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3cnc(C#N)cn3)n2C)c1 475442898 IVWLVMZFJVHUGM-UHFFFAOYSA-N 429.531 2.325 30 10 IEEE CN(CC(=O)Nc1ccc(Br)cn1)S(=O)(=O)Cc1ccc(C#N)cc1F 481015895 ANBMXUOTEUJTJV-UHFFFAOYSA-N 441.282 2.255 30 10 IEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508718738 WVSVSRDYUULMRV-GOSISDBHSA-N 441.532 2.127 30 10 IEEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 520816020 JXYIZJWUXUWNNG-UHFFFAOYSA-N 447.538 2.001 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 521008407 KDJLHQNMMZKCKB-IBGZPJMESA-N 428.514 2.420 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)CC2)n1 544831890 MOZGYXYLQYVUBW-SFHVURJKSA-N 441.944 2.471 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 558996694 PFSMSCAOJVJSNA-LJQANCHMSA-N 442.545 2.236 30 10 IEEE N#CCCN(CCC#N)C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 574493910 PBBAUUWTVLTJPB-SOXBMFEASA-N 428.492 2.122 30 10 IEEE COc1ccc([C@@H](CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)NC(C)=O)cc1 603591597 VUMIOLCUTHFTFG-LJQANCHMSA-N 437.500 2.348 30 10 IEEE COc1ccc([C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)N(C)C)cc1OC 603745820 LSCHOMYSVOWVRV-LJQANCHMSA-N 438.532 2.105 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)cc1 604002424 UUCSPIPGIXUPEB-UHFFFAOYSA-N 442.544 2.354 30 10 IEEE COC(=O)CCN(Cc1ccccc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 609608853 VSCLUNGABQKNAJ-HXUWFJFHSA-N 448.479 2.355 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCOC1 676727931 ZTKLALWZVUAURO-OAHLLOKOSA-N 428.941 2.472 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn3ccccc23)c1=O 729671837 ZFKTWUGXZHNDDO-UHFFFAOYSA-N 432.480 2.493 30 10 IEEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730137119 DHJSVONNVVRAQK-IBGZPJMESA-N 432.590 2.211 30 10 IEEE C[C@H](CC(=O)NCc1nc(-c2ccncc2)cs1)/N=C1/NS(=O)(=O)c2ccccc21 742621418 MYCLJKJIUBKOGF-CYBMUJFWSA-N 441.538 2.339 30 10 IEEE C=CC[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccncc1 749725133 KMKGCZVPVKDCOB-UYAOXDASSA-N 443.525 2.406 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCCO2)CC1 752851188 PBVUYVJJGCOIBD-IBGZPJMESA-N 425.533 2.287 30 10 IEEE CCNc1ccc(C#N)cc1NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 753139447 UWIWHFAQGDUZAY-UHFFFAOYSA-N 446.511 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)C1 786558950 FFDJVFFGEKGKBI-INIZCTEOSA-N 437.443 2.316 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccnc(N3CCN(C)CC3)c2)C1=O 793988053 XCYUDALGVKXFAH-JOCHJYFZSA-N 430.553 2.149 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@]3(C(=O)OC)C[C@@H](OCC)C3(C)C)ccc2c1=O 797755328 CQSUPYLLEUOZLO-ZHRRBRCNSA-N 445.541 2.348 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@H]1CCCO1 799934216 QNOGJGCFYHFAGM-GOEBONIOSA-N 444.528 2.355 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC(c4ccc5c(c4)CCO5)=NO3)cc2C1=O 801345605 OCDGAYFMJIJOAY-QGZVFWFLSA-N 431.448 2.327 30 10 IEEE C=CCc1cc(CNC(=O)c2cn(CCO)nc2C2CCOCC2)cc(OC)c1OC 856620531 NGUWZQJJVOSEKT-UHFFFAOYSA-N 429.517 2.445 30 10 IEEE C=CCN/C(S)=C(/C(O)=c1cc2c(cc1F)=NC(=O)CC2)[n+]1ccc(CCC)cc1 917608214 YGWFGIYJPNSXRO-UHFFFAOYSA-O 426.537 2.356 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)CCN1C(=O)COc2cc(Br)ccc21 921296875 XJBCPBNGFAOGQS-UHFFFAOYSA-N 425.279 2.142 30 10 IEEE O=C(O)COc1cccc(C=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)c1 1081085424 IFMUMCVMJGQTKW-MRXNPFEDSA-N 426.454 2.100 30 10 IEEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 1083871244 ODVHZOXDXNFEGY-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(C)cc(C)c3)n[nH]2)cn1 1084439950 LGJFFWYPWPYXCQ-UHFFFAOYSA-N 428.522 2.441 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1cccc(CN2CCNC(=O)C2)c1 1129352398 MJRQOGIJSHAGAB-UHFFFAOYSA-N 427.302 2.434 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H]3CO[C@H](CCC(=O)OC(C)(C)C)C3)CC2)c1C#N 1129372492 JXSZTPQWIYQMKQ-JKSUJKDBSA-N 434.562 2.499 30 10 IEEE CS(=O)(=O)c1cccnc1C(=O)Nc1ccc(C#N)cc1I 1133967419 PHXPPXCFFRDZDJ-UHFFFAOYSA-N 427.223 2.214 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1135983072 PZVPZFPSNOVKQZ-HXUWFJFHSA-N 431.456 2.257 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1143719770 GHHDCSWOQJOYAC-PMACEKPBSA-N 427.549 2.146 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccncc3NC(=O)C(F)(F)F)C2=O)cc1 1154116596 GMKSMEZDIIJTAP-OAHLLOKOSA-N 431.374 2.379 30 10 IEEE C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc2N1S(C)(=O)=O 1156248053 XBYSYUPTSHVMLC-BEFAXECRSA-N 439.541 2.381 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1157759975 GIQFWTIIITZUFY-DLBZAZTESA-N 439.553 2.435 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC([C@@H](O)c4ccnn4C)CC3)ccc2c1=O 1161679529 WNOLWSIIMDFTRL-LJQANCHMSA-N 439.541 2.191 30 10 IEEE Cn1c(=O)c2nc(Br)n(Cc3ccc(C#N)cc3C(F)(F)F)c2n(C)c1=O 1165214909 WKFPYJZDDYJCFL-UHFFFAOYSA-N 442.195 2.135 30 10 IEEE C[S@@](=O)C1(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCN(C(=O)OC(C)(C)C)CC1 1175029659 JOEOBSAZATVOGB-VPTFNQTCSA-N 431.558 2.290 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2CC2CCOCC2)CC1 1176792710 HZXSNCFPUJPMPN-DHIUTWEWSA-N 444.551 2.052 30 10 IEEE N#Cc1cc(S(=O)(=O)NC2CCN(C(=O)c3ccco3)CC2)ccc1Br 1197331077 DXTUZQORNWPSRP-UHFFFAOYSA-N 438.303 2.497 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1213222835 JCJCLMHSXRTGGE-HDICACEKSA-N 442.603 2.014 30 10 IEEE C#C[C@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1218681946 PNACSEMIJXNVNN-CQSZACIVSA-N 433.486 2.010 30 10 IEEE C=CCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1269216629 YQFQEWPWBJIDMD-LJQANCHMSA-N 441.528 2.430 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1286291084 VOHHGPXMQMAOAD-INIZCTEOSA-N 442.527 2.159 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2OC)CC1 1286356232 MKHOKMGLLVWJEC-UHFFFAOYSA-N 436.560 2.145 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286386823 IBMHZJAWEZROPL-IEBWSBKVSA-N 444.605 2.020 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286390190 YKHPCUXYSUPSMN-IBGZPJMESA-N 438.557 2.236 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1NC(=O)CC1(C)C 1286464103 RHCIWPRUMRORBS-LJQANCHMSA-N 432.528 2.494 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCc2nc(C)no2)CC1 1286493645 OSXJXAOFYMCZFH-UHFFFAOYSA-N 427.553 2.157 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286509440 QLYIEVHCWHMLQZ-UHFFFAOYSA-N 433.622 2.308 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286548194 RVTHWDWSUUVILC-WLENULPWSA-N 446.596 2.140 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)C)c2)CC1 1286646487 RRBBZYXDPZXYNK-HXUWFJFHSA-N 429.590 2.447 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 1286773167 JEJQBOXBONYLOH-LJQANCHMSA-N 441.532 2.475 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286779508 UQHZBINBYKKJKF-LPHOPBHVSA-N 429.521 2.488 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H]2COCCO2)C1 1286807414 NSIUOPLVFLZOKS-VQTJNVASSA-N 428.533 2.464 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1286959339 FRIYSYWWPNZXAU-CVEARBPZSA-N 425.493 2.064 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(Cl)nc1 1293097402 JIBPDKVDYMBFFZ-UHFFFAOYSA-N 425.928 2.177 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOCC1(C)C 1293126873 DRWRNRGKKVVIFC-UHFFFAOYSA-N 437.592 2.145 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1293247913 SNTJSWGLDFBCGE-LJQANCHMSA-N 436.472 2.093 30 10 IEEE C#CCN(CC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[nH]2)c1)C(=O)OC(C)(C)C 1297260256 LBZMMABLJKSNMA-UHFFFAOYSA-N 441.488 2.135 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1300430935 QTAVDJPDWDQNMX-SXLOBPIMSA-N 445.589 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300450410 UBSQXMFTZACPDE-LPHOPBHVSA-N 431.537 2.358 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1300620309 AEWJFVOQTOSBCQ-UHFFFAOYSA-N 446.515 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1300728864 HWMHHEHJDXNWQO-GAJHUEQPSA-N 441.601 2.447 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1300756520 PDTUAXKZBVWOMZ-ZWKOTPCHSA-N 429.521 2.313 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300760375 ACAWTDYKSSUDMW-QGZVFWFLSA-N 431.541 2.142 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1300789783 YMCXNJNIJGIHPX-OLILMLBXSA-N 446.598 2.252 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 1301010118 HXRLRZFFAIVLST-LJQANCHMSA-N 438.576 2.317 30 10 IEEE C=CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301234663 OMIKXRZFLSARNW-XMSQKQJNSA-N 432.569 2.325 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1301410398 FAMMXQGWHUHMHH-ZQHDKMAOSA-N 431.562 2.359 30 10 IEEE COCCOc1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1302131983 ZOHSOXXPJFFKJT-QGZVFWFLSA-N 448.531 2.037 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1304722784 GRJXKBPFQLDHBW-SFHVURJKSA-N 432.532 2.307 30 10 IEEE CO[C@@H](Cc1ccccc1)CS(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1309395967 CYOUGDRVIRFTIF-SFTDATJTSA-N 427.526 2.231 30 10 IEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1 1314024837 YRBFPZFBKZCNSM-UHFFFAOYSA-N 428.493 2.044 30 10 IEEE CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1314208461 CHIGALPYZJCNON-JXFKEZNVSA-N 433.509 2.069 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1316025667 MNBIBEUUXJSPKE-SFHVURJKSA-N 447.561 2.026 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1316114146 CNDRKBOJEBTGDW-FQEVSTJZSA-N 447.543 2.287 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1349937996 GQJBFVNYVHNXCP-UHFFFAOYSA-N 432.590 2.489 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1352185641 DJTALQXTFZYTFJ-UHFFFAOYSA-N 441.394 2.254 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1358955953 XNMWAFXTGWKPLO-SFHVURJKSA-N 429.546 2.184 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961956 HOMFBKPLPUWJMR-PMACEKPBSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1358970060 DKBRRBAVJBESCD-XZOQPEGZSA-N 426.492 2.050 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCC(=O)NCc1ccccc1 1358995707 BYYFIUYJNFLBPI-UHFFFAOYSA-N 426.524 2.433 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2ccn(C)n2)CC1 1359032576 TWCMUCPQWXTCRB-UHFFFAOYSA-N 439.951 2.339 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359289807 MICAETZTFCDPKP-UHFFFAOYSA-N 425.468 2.307 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)(C)C 1359468183 GUYKQIRDQHDYTE-OAHLLOKOSA-N 446.577 2.107 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1359472955 UEXCMEUABUSEOM-CQSZACIVSA-N 427.509 2.051 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCCNC(=O)Cc1cccc(F)c1 1435002815 TXEQXSFXVNKHTE-UHFFFAOYSA-N 434.265 2.314 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1440437229 PHPGWNXXUFFSTA-UHFFFAOYSA-N 445.497 2.235 30 10 IEEE CCOC(=O)C1CCC(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1441005667 APIRRFFNXVNAPA-UHFFFAOYSA-N 447.557 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1450459635 DBFYVZRDPGMWIT-OALUTQOASA-N 437.500 2.464 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 1471937229 GSJRJZCBVLWRCD-HDICACEKSA-N 447.601 2.189 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1 1478094949 XXFOHHXPTJBJGE-ZUEVXXBESA-N 433.306 2.143 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)c(C#N)c2N)cc1 1478777374 XFPGERUBRYIJOA-FXAWDEMLSA-N 435.532 2.020 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)n1 1479498217 PGNJGSLNTFATPQ-QRVBRYPASA-N 431.537 2.215 30 10 IEEE CN(Cc1cc(Cl)ccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503458210 JEAMOWGZXLBOQI-FMQUCBEESA-N 441.923 2.442 30 10 IEEE COc1ncccc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1504456979 CMSBMXCMEOHFKO-IBGZPJMESA-N 447.499 2.328 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1505323701 ILNNYWDKVKMWAS-HZPDHXFCSA-N 428.459 2.133 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1507652189 YUFQTBGYDLBQSL-OAQYLSRUSA-N 431.519 2.483 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1507755801 ICFDALUZXMLGNL-MOPGFXCFSA-N 439.585 2.491 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1507768152 LZCAHODKAYZCQT-HNAYVOBHSA-N 426.487 2.496 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507907235 VHSLBTJVAUSYEZ-SFHVURJKSA-N 430.578 2.332 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1507966845 XVHXWVATKAGQKN-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(C#N)o1 1508710528 PEFVXELTTOVRQX-QZTJIDSGSA-N 426.521 2.411 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1516056507 COPVXNIKDWDLKK-GOSISDBHSA-N 449.519 2.191 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1525734229 BSSDOGFJFPLCBF-ZBFHGGJFSA-N 448.449 2.020 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)c(F)c1 1527690957 IFILZTZMUWYBPM-UHFFFAOYSA-N 437.397 2.334 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1535768096 FSWSGOUXKSCMLP-NTCAYCPXSA-N 435.502 2.332 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539025222 GNYZDAVFBMNCKV-IAGOWNOFSA-N 430.553 2.258 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1539369124 HGHNKMJIKMARMZ-SFHVURJKSA-N 433.553 2.268 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1539526470 KKZFUYLABYQUDO-OAQYLSRUSA-N 432.521 2.358 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539595182 TVQWBLFBSXKRDO-HUUCEWRRSA-N 449.357 2.188 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539793751 WVCYLEVKDBFTLA-KXBFYZLASA-N 429.956 2.081 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540036655 QPOPBZHDBJREAY-FCHUYYIVSA-N 446.640 2.370 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1540040440 TYNZIHCXQVOFAO-INIZCTEOSA-N 428.459 2.500 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C)C1CC1 1540103723 FXVSSTDPBFRLEU-UHFFFAOYSA-N 435.532 2.119 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1540874403 FTTJKYLICZSVHL-OXQOHEQNSA-N 436.516 2.035 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C)C2)cc1 1540877937 JUQWXLGLVFXOOM-AEFFLSMTSA-N 432.546 2.018 30 10 IEEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1541249759 WMQNKKPOXMVYHO-KRWDZBQOSA-N 448.568 2.487 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C(N)=O)cc2)CCOC1 1541714431 UVSLTYZTOLMIQM-AOMKIAJQSA-N 426.521 2.204 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1541969668 WKBIZMZTNWHSPN-VDGAXYAQSA-N 445.495 2.482 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2nc(N(C)C)no2)c1 1544608619 SKBMILVKEFUCIM-ULJHMMPZSA-N 448.549 2.300 30 10 IEEE CCn1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)N(C)C)cn1 1548375886 ZQBGBWJBDXUNCP-SFHVURJKSA-N 448.449 2.213 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H](C)NC(=O)OC(C)(C)C 1564530603 GAPKXJDPFGXPLD-ZQDZILKHSA-N 425.530 2.346 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1 1584681937 HGFNWOJYBNUAJH-SFHVURJKSA-N 428.562 2.270 30 10 IEEE N#CCN1CCC(CNC(=O)c2cnn(-c3ccccc3)c2I)CC1 1586041188 YMKMGFONXPEVRU-UHFFFAOYSA-N 449.296 2.442 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)COCC2)[C@@H]1CCS(=O)(=O)C1 1588030384 UCXQONIYOHBIPA-HXUWFJFHSA-N 428.558 2.149 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCCC1 1588078381 FCTDYKNLDFOHRK-UHFFFAOYSA-N 432.528 2.266 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1594070457 GKZICJLMTYAWIH-QGZVFWFLSA-N 431.562 2.392 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1594070485 HICYQHVALDZGOB-LSDHQDQOSA-N 429.484 2.500 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2C)CC1 1594097762 YDHCELDGJCPJJS-LJQANCHMSA-N 431.562 2.124 30 10 IEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1594121674 CFKMBBXSBWOYQJ-IBGZPJMESA-N 445.589 2.338 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1595561763 BCQUZMFBLWEBOA-OAQYLSRUSA-N 443.511 2.016 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1595800030 FWXPXFVDWXJHHV-HLLBOEOZSA-N 442.965 2.296 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)C1 1598208693 QEDQTIILZUAIPK-KBXCAEBGSA-N 434.334 2.411 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C2CCCCC2)CCOC1 1610902139 HBLDRZYWKDWXET-WWPVKYPJSA-N 447.580 2.379 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1613001655 KKLMYIYZVGVGNP-AWEZNQCLSA-N 427.486 2.087 30 10 IEEE CCCN(CC)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1614716066 BDWXCTNRTMODCX-MRXNPFEDSA-N 436.520 2.055 30 10 IEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NC(=O)c3ccccc3)n2)c1 1616132854 NVEDZPPSPQIZLA-YSFYHYPLSA-N 427.464 2.392 30 10 IEEE CCOc1cc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OC 1616319706 FDWUMEQYLVVGMS-INIZCTEOSA-N 448.531 2.419 30 10 IEEE CCOC1CC(O)(Cn2c([C@H](C)CC)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1616564352 POLUTRPWMIUUMT-QVJCIOKHSA-N 426.521 2.257 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)OC)C[C@H]3[C@@H]3CCCO3)cc2C1=O 1617305868 IERGGOBIVOPKRN-SNRMKQJTSA-N 426.469 2.041 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1619006926 KAKLEJNOBBZNJR-REWPJTCUSA-N 441.532 2.395 30 10 IEEE Cc1cccc(F)c1-n1nc(C(=O)N(CCC#N)CCN2CCOCC2)c2c1CCC2 1625975888 AHOHSYBGSCSVMU-UHFFFAOYSA-N 425.508 2.497 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCC(O)CC3)cc2)s1 1630429093 CLCGSXTXEBGJCT-UHFFFAOYSA-N 435.571 2.355 30 10 IEEE C[C@@H](CC(=O)NC1(CC(=O)OC(C)(C)C)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1631973376 HJYMABWJKZAOKO-AWEZNQCLSA-N 435.546 2.274 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 1634888757 HLBBHZYEVJGOTB-QGZVFWFLSA-N 442.324 2.383 30 10 IEEE C#CCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331507 WQGUXWUGFKMOLE-FPLPWBNLSA-N 426.517 2.316 30 10 IEEE CN1CC[C@H](CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1639645414 PPOHLWJXAFRRHC-JXFKEZNVSA-N 426.517 2.377 30 10 IEEE N#Cc1cnn(C(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)c1N 1641560222 LXEURMZAKPMPIB-IUODEOHRSA-N 437.319 2.033 30 10 IEEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(N2CCOCC2)cc1 1642530318 SUBWEQKLNGULOG-QGZVFWFLSA-N 442.541 2.115 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNc2c(C#N)nnc3ccccc23)C1 1643164161 UYNIBBCAJHZFOO-CQSZACIVSA-N 431.518 2.338 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C1 1643888244 JHEQUBICZGBXDU-HYBUGGRVSA-N 449.486 2.202 30 10 IEEE Cn1ncc2c1CC(C)(C)CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C2 1654380608 DPIXUDQFYXXHEK-QFIPXVFZSA-N 438.551 2.353 30 10 IEEE C=C[C@@H](C(=O)OC)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1655146613 HHIOZJQBXXTEKK-AEFFLSMTSA-N 433.553 2.374 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)c1 1664580014 NSNGBJMINGGJMD-UHFFFAOYSA-N 439.497 2.010 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1664998963 GFHFFCYJSJOMCT-UHFFFAOYSA-N 442.545 2.338 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1)c1ccccc1 1683507399 CKHBZQJMPUHDBK-MRXNPFEDSA-N 430.306 2.454 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 1684082511 CPQPWWAUBGRACW-KPRXVCGWSA-N 434.581 2.332 30 10 IEEE C#CCN(C(=O)NCc1nc(N(C)C)n[nH]1)[C@H]1CCOc2ccc(Br)cc21 1685041653 CWNGOTFCMHMKEG-AWEZNQCLSA-N 433.310 2.302 30 10 IEEE N#C[C@]12CN(C(=O)NCc3ccc(OCc4ccccc4F)cc3)C[C@H]1CS(=O)(=O)C2 1686022159 YARPCKLWQWTHDT-PGRDOPGGSA-N 443.500 2.484 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1689977661 AEFIJSIYCSUIKA-SFHVURJKSA-N 427.530 2.109 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1689980588 UWIHFSHPFZLNJZ-IBGZPJMESA-N 429.546 2.035 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cn(C)nc1-c1ccccc1 1690029698 HWJVRAYSCFYYHV-UHFFFAOYSA-N 429.528 2.328 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 1690111731 IPTZKIJXYNBZQO-KRWDZBQOSA-N 442.539 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCCn2ccnc2C)CC1 1690142191 JVMOGHGZINAUQM-UHFFFAOYSA-N 434.548 2.224 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1690142908 XRTZZEPGEXTLMC-HNNXBMFYSA-N 431.491 2.080 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)C1 1690222960 ACCRJZSTVJVEGE-UHFFFAOYSA-N 436.310 2.197 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1690310256 YMIKDLUBVZAYSP-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1690346663 YXXKABHNLMWWNE-GDBMZVCRSA-N 441.941 2.298 30 10 IEEE C=CCCCn1c(N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1690495677 FGJGSOWAWPLBCN-QGZVFWFLSA-N 427.615 2.419 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1690508571 LHNMHSJVHSJKIR-HXUWFJFHSA-N 430.574 2.378 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690646276 NZCHYUXPCNEROM-UHFFFAOYSA-N 437.592 2.363 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC(C)(C)C1 1698244614 SHRMIAFJIBNHTC-PMACEKPBSA-N 446.596 2.243 30 10 IEEE C#CCCCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705522236 YYQDSYDTNMVCRO-YZUZCNPQSA-N 445.608 2.281 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705535314 IVLBZFUMELXJHC-IBGZPJMESA-N 429.590 2.356 30 10 IEEE C#CCCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1705539733 ZVZNNEPGLAQSQE-NZQKXSOJSA-N 442.564 2.062 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCN(CC)CC1 1705594145 RMZFVHMCGNGHJK-OAQYLSRUSA-N 429.572 2.306 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705616736 MPWFDQQUUKKPSD-IBGZPJMESA-N 445.589 2.215 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705707633 OJDMFNUHDDBMPU-MDPIYQRISA-N 431.537 2.029 30 10 IEEE CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)o1 1708982091 CPXWXURAKKXBNP-MGPUTAFESA-N 432.550 2.217 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCCCCC2)CCO1 1712884964 WOWOCGCNCAWINV-SFHVURJKSA-N 428.562 2.452 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1722282769 RHRVOLXOBQHBSL-KRWDZBQOSA-N 425.537 2.337 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCSCC1 1722285669 YEDXRXSGZBGYJD-MRXNPFEDSA-N 447.008 2.368 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CSCCS1 1722292986 KULNGDGGIMKWHH-CABCVRRESA-N 440.598 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCN(CC)CC1 1722299124 MAQQIJBSGGCLRT-FQEVSTJZSA-N 426.613 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](CC)OC)CC1 1722443181 DPIVSNFZHQEVDF-IBGZPJMESA-N 440.504 2.244 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1722460513 XVBTYLBAOVOHRH-HZPDHXFCSA-N 428.649 2.269 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2sccc2[C@@H]1CC 1722728069 SZCLUUTZOOUMKP-CVEARBPZSA-N 449.602 2.405 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC(F)(F)F)cc1 1731184684 HJIAYLLTQYXSLX-ZBFHGGJFSA-N 434.422 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1740532897 MPBSNYKZFNZDEM-QWHCGFSZSA-N 445.467 2.293 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1740539363 OTSPYJPYTAZCDC-ZDUSSCGKSA-N 440.367 2.057 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1740565817 ITDJBZIPRUSNMG-KRWDZBQOSA-N 431.562 2.224 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCN(C(C)C)CC1 1740602064 PDAVSCQGDONVDX-UHFFFAOYSA-N 449.397 2.351 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C)n(C)c2=O)CC1 1740693677 HSQVNZXQTOJXGP-UHFFFAOYSA-N 436.947 2.409 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1740707785 POFJPJRVCOODOE-KRWDZBQOSA-N 443.523 2.387 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1740729701 LOUJYHOSBXDVBD-MHECFPHRSA-N 437.544 2.441 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740882749 WNMIEHMIVFZXPY-MRXNPFEDSA-N 431.928 2.142 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740956962 WWRPYMXAJIFQJY-UHFFFAOYSA-N 436.560 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCOC2)C1 1740983354 GSZACKJCBQMRFP-NFBKMPQASA-N 428.533 2.005 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)Br)CC1 1741045581 OJVFPPGVNUIYDI-UHFFFAOYSA-N 439.264 2.473 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1Cc2ccccc2O1 1741930117 DGHFIIDTPKESHK-XPIZARPCSA-N 444.561 2.022 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748806048 ZBMOSMCZAWLEDS-OAQYLSRUSA-N 429.590 2.103 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1748929460 JQEKLHCOIXATDO-FQEVSTJZSA-N 445.589 2.093 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCS(=O)(=O)NC 1748946718 PHDLALMMTXTOIX-UHFFFAOYSA-N 433.553 2.339 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1748998777 ZMNLSTZKFBHEQJ-QGZVFWFLSA-N 441.513 2.480 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)C)CC1 1749019667 CPSJRSTWIFISTO-UHFFFAOYSA-N 427.578 2.212 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1749114637 DRIPJZVRZQWUGS-RTBURBONSA-N 440.548 2.133 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC(N)=O 1749124962 RVMSMLACMSQSID-XPIZARPCSA-N 441.532 2.398 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1)C1CC1 1749519203 GJDFXYNMGQOVNH-SFHVURJKSA-N 443.573 2.133 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750442099 QAQVPIJZHWMMHW-LVWMNBHTSA-N 430.578 2.435 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1751095708 ZFGSEJLMQLNODM-OWCLPIDISA-N 430.475 2.174 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1C 1751190585 DGWNMHKYNCKDHL-TXPKVOOTSA-N 446.577 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1760109697 CLYOVQLNFLFCAB-QAPCUYQASA-N 429.594 2.036 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1 1760121230 AHPSYBIEHQDUFW-GOSISDBHSA-N 439.560 2.471 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1760125925 VXVOZEKWYMDBDC-HZPDHXFCSA-N 434.587 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1760207557 NYAGIHKZAGIUDJ-FQEVSTJZSA-N 425.496 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](F)COC)CC1 1760269010 VHCZVOKPXKYJIC-QGZVFWFLSA-N 438.507 2.377 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760285547 JNAUSZKHNOZAGC-GOSISDBHSA-N 425.558 2.343 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760449700 RLMMMRWNKMIYDE-WOJBJXKFSA-N 441.532 2.408 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1760743126 JXBMIOFROROEGS-QTIQAUKSSA-N 428.537 2.323 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCO1 1760745183 OXMJEOLWEKELHZ-FQEVSTJZSA-N 443.548 2.379 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCSC1 1760753592 XXSSDZZFQFFCNQ-OAQYLSRUSA-N 428.562 2.270 30 10 IEEE Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1761763402 PPULETVSADVKHH-STGLLQLASA-N 428.518 2.315 30 10 IEEE Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1761778572 BLQAFFAMQQHYGM-UHFFFAOYSA-N 446.515 2.111 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1763887616 MSLCVXXTUAEJIL-FQEVSTJZSA-N 438.532 2.355 30 10 IEEE CCC(CC)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1764062882 XLFDEMSVDYIPSY-FUHWJXTLSA-N 443.552 2.101 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1OC 1765012705 FQFMAUJHUYTNIB-SXLOBPIMSA-N 438.532 2.259 30 10 IEEE CCSc1cc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)ccn1 1766771860 ARPPKZHPSDCNMY-FQEVSTJZSA-N 429.525 2.398 30 10 IEEE COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1769246037 BQSAPMZDTNFOHB-NHCUHLMSSA-N 434.500 2.451 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)COC1 1769846826 IIEBSRVONDVWCI-CALCHBBNSA-N 448.568 2.452 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)OC)cc1Br 1770086674 HOWZRPDAFOAWOB-OCCSQVGLSA-N 436.310 2.480 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CCC1 1771224369 JMYDYKPHPDGTOW-FXAWDEMLSA-N 441.532 2.367 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1772516209 YTXCUMKUVOMAEJ-UHFFFAOYSA-N 446.555 2.302 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCOCC1 1772516369 CAXSVPXXTITBAG-IBGZPJMESA-N 425.508 2.180 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](c2cccc(C)c2)N2Cc3ccccc3C2=O)NC1=O 1851146380 FNAXBWCWDCOODY-HXUWFJFHSA-N 444.491 2.403 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CCC[C@@H]3Cn3ccnn3)C2=O)c1 1853694386 PVNIJFWAUOFEDM-APWZRJJASA-N 426.908 2.293 30 10 IEEE Cc1c(Cl)cncc1C(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854353442 ZXQLMFUQBRVPTB-SFHVURJKSA-N 425.876 2.205 30 10 IEEE C=CCCN(C)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 1854682884 MFJYGIRZRWQEPC-QGZVFWFLSA-N 439.603 2.174 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC(F)(F)F)C(=O)O3)CC2)cc1 1855845717 ZKLDJTCEUOSAEQ-HNNXBMFYSA-N 445.419 2.259 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCSc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857282903 AZFJGQPDLZOTMB-LPHOPBHVSA-N 433.549 2.402 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)ccc1O 1862634329 WKEGEQJIJHPCGN-HXUWFJFHSA-N 441.436 2.480 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C)nn2CCC 1864319595 YHHZIKHFALKWCZ-LIRRHRJNSA-N 426.517 2.358 30 10 IEEE CS(=O)(=O)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)cc1 1867019537 VASIGMBIZPJDGV-IBGZPJMESA-N 445.566 2.350 30 10 IEEE CCCCCCCCC(=O)Nc1nc(N2CCN(C)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869960585 YZXBSCYUZAGNSP-KRWDZBQOSA-N 440.614 2.079 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2OC)n([C@H]2CCS(=O)(=O)C2)n1 1870004895 PAFBJUXIPKFULM-HNNXBMFYSA-N 431.518 2.077 30 10 IEEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN(CCOC)CCOC 1870461075 RDKPQXPQHVMICZ-UHFFFAOYSA-N 437.581 2.157 30 10 IEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(CO)CC2)cc1=O 1870561250 FMLUTNWQRQSAEH-HSZRJFAPSA-N 439.556 2.073 30 10 IEEE C=CCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O 1873139881 HMRXUERFBIAGOM-UHFFFAOYSA-N 427.457 2.430 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)cc1 1874235648 SYGCCGJTHUBLNL-SSDVNMTOSA-N 427.486 2.421 30 10 IEEE C[C@H]1C[C@@]1(CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634348 YNGWDEXRLCWJNZ-ZSEKCTLFSA-N 432.330 2.265 30 10 IEEE CN1CCN(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C#N 2060790671 SNUHTHVDHCNOMJ-YKSBVNFPSA-N 442.560 2.497 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128731861 ZUZBTXDPOJXJIK-QGZVFWFLSA-N 448.369 2.266 30 10 IEEE Cn1cc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c(=NC(=O)OC(C)(C)C)[nH]1 2141669734 GXINTSUWJQCJIC-UHFFFAOYSA-N 443.313 2.136 30 10 IEEE C=CCN(CC=C)C(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195285691 IUNTUYQCXOLZSZ-PBYQXAPXSA-N 436.530 2.094 30 10 IEEE C=CC1(NC(=O)[C@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2242690731 GPOXGHSOAMUWRE-LSDHHAIUSA-N 425.526 2.039 30 10 IEEE CON(CC(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2248394909 DRJXMPDKYVHNGW-LBPRGKRZSA-N 441.359 2.418 30 10 IEEE CC1(C)OB(C#CC(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C(F)(F)F)OC1(C)C 2255595207 PGVFKWDJIAJHTQ-WDEREUQCSA-N 442.165 2.222 30 10 IEEE Cc1sc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2255600661 AXDZIABMRPILPV-UHFFFAOYSA-N 446.300 2.415 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1 2255873419 DMWDKFNCHALWSH-UHFFFAOYSA-N 433.358 2.499 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874505 WFYBWAUGBZOYNH-ZBFHGGJFSA-N 433.358 2.452 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2255880640 IZNMCLBEZJELDC-UHFFFAOYSA-N 432.326 2.009 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255953682 MOMXQSPOTCMGMW-BBRMVZONSA-N 432.326 2.334 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CN(CCO)C(=O)OC(C)(C)C 2256615925 YKURGZPKGMFDDM-UHFFFAOYSA-N 434.342 2.462 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CO1 2258961135 OZFXYXHXACZQTJ-DLBZAZTESA-N 436.358 2.447 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267127211 QAEROVXUZAVFSS-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE Cn1ncc(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267514061 TXNUCWLOYSQENM-UHFFFAOYSA-N 446.357 2.016 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267525734 IXBMPOMPNBHBDB-INIZCTEOSA-N 448.373 2.095 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267548799 VEZMZASFQLQZER-INIZCTEOSA-N 448.373 2.095 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268689131 YQVXCMMUHJLOPW-QGZVFWFLSA-N 446.353 2.415 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2282666026 DUHRDUFGBKWUST-SVFBPWRDSA-N 448.376 2.416 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C 2296228071 VQPHUCCDGCYPGZ-KURKYZTESA-N 439.350 2.385 30 10 IEEE CCCN1C(=O)[C@@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN(C)C)c2ccccc21 2297743684 OAXQWHICLPJRLM-DEOSSOPVSA-N 437.496 2.482 30 10 IEEE CCn1c(N2CCCC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 2314463233 ZOYLRUZSPCCHCV-UHFFFAOYSA-N 432.571 2.496 30 10 IEEE Cc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 9860534 XELXKGWYBRYUJB-PMACEKPBSA-N 443.594 2.386 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(F)ccc3F)n[nH]2)cn1 59886872 ILXLLPJFNJLWGL-IFRROFPPSA-N 436.448 2.103 30 10 IEEE COCCN1C[C@@H](C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(OC)c3n2)CC1=O 170509590 QPBRSPQWKQKEDJ-HNNXBMFYSA-N 448.483 2.043 30 10 IEEE N/C(=N/O)[C@H](NC(=O)c1cc(I)ccc1Br)C1CC1 236335387 MRNCBWHSVZVFMH-SNVBAGLBSA-N 438.063 2.309 30 10 IEEE C=CCn1c(=NC(=O)c2c(OC)cccc2OC)sc2cc(S(N)(=O)=O)ccc21 254759318 QKJUYJXLNFLAHV-UHFFFAOYSA-N 433.511 2.295 30 10 IEEE CC(=NOCC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 254839153 SAIANXCYLIEXMF-UHFFFAOYSA-N 438.396 2.388 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@]3(C)CCCN3Cc3ccccc3)CC2)c1C#N 472054195 TUCZWVDNDDLVCH-DEOSSOPVSA-N 435.576 2.487 30 10 IEEE C=CCc1ccc(OCC(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c(OC)c1 473714550 LYRVEJSCMCMLSW-AVRDEDQJSA-N 438.480 2.346 30 10 IEEE C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482695116 PTAINCJOCQMGRP-KRWDZBQOSA-N 430.512 2.356 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 504399259 OZCTZLJQGVTVKE-GOSISDBHSA-N 436.472 2.127 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)c(F)c1 506116481 YNSPKHZDZXCSLO-IBGZPJMESA-N 428.508 2.011 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 509921714 BEPNKCFHEFVNLD-OOHWJJMZSA-N 446.504 2.266 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)CC1 516247954 OMYLMNIODQQHCK-UHFFFAOYSA-N 435.450 2.260 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 521962568 IXYFHXHBQWYSGR-SFHVURJKSA-N 437.456 2.008 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 524552707 ZTMYQBITSNNUCE-UHFFFAOYSA-N 448.888 2.195 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCn2c(nnc2-c2cccnc2)C1 553542799 KXEYXYNGJDDFHG-UHFFFAOYSA-N 445.302 2.179 30 10 IEEE COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCOc1ccc(C#N)cc1 556376765 WCKSQYUZJBUDGN-UHFFFAOYSA-N 437.905 2.279 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 558767733 MPYLQRNYTQSNOK-MRXNPFEDSA-N 428.924 2.973 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C(C)(C)C1 568785846 PUWSQDBCPOXZLI-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)cc1 603800804 VPQVOCYGCIDXKG-UHFFFAOYSA-N 433.533 2.244 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)CC1 605411954 LKQMQCVTXYIGSO-UHFFFAOYSA-N 449.555 2.344 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)CCS(=O)(=O)c3cccc(C#N)c3)C2=O)c1 611090186 FXICZERCSIPCNN-OAQYLSRUSA-N 443.525 2.086 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 685534149 VLFBFMPHQQGVPM-OAQYLSRUSA-N 434.544 2.012 30 10 IEEE Cn1c([C@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nc2ccccc21 732496248 XFBKLZFCLLKRFL-DYESRHJHSA-N 427.464 2.225 30 10 IEEE CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665098 XCTVBAIVLHYKEW-WIYYLYMNSA-N 437.569 2.285 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1OC 733654382 QGJMETKCBXLGEN-RTBURBONSA-N 444.532 2.157 30 10 IEEE COC(=O)[C@H](OC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccc(C#N)cc1 740212288 LRPHUAKVMZFETC-LJQANCHMSA-N 428.466 2.318 30 10 IEEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCO1 741245012 CXHJKIAMYJAATG-NRFANRHFSA-N 436.512 2.430 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 744839157 HKLQGUPLCUXEJE-PXNSSMCTSA-N 437.500 2.032 30 10 IEEE N#CCCN(C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1 749291497 HLOHSDMANOSVMR-KRWDZBQOSA-N 447.538 2.391 30 10 IEEE C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1N)C(=O)N(CCC#N)c1ccc(F)cc1 750415704 JUGGJAASLIASFK-CYBMUJFWSA-N 433.461 2.304 30 10 IEEE Cc1sc2ncn(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(=O)c2c1C 754388477 ZKMXYFUDMPLZSV-HNNXBMFYSA-N 445.545 2.436 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 778378330 ALYKMQPJGRAYTL-LLVKDONJSA-N 429.376 2.167 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 779612272 BFXRAPIBSHLODR-VZOQVYJPSA-N 425.510 2.444 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 779953670 JBZFUPTZBUJHMU-LOJRPPCJSA-N 439.493 2.218 30 10 IEEE CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 781019733 IPFNYWRHTMOMJJ-CZUORRHYSA-N 431.493 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCO[C@H]2C1(C)C 782395462 GNQAQBFEILYMKY-LSQVQBOPSA-N 449.548 2.437 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 783010948 HWRMPRKXYCAFRZ-QGZVFWFLSA-N 445.545 2.152 30 10 IEEE COC(=O)N1CCC[C@@H]([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 788674147 CDTDWKYXXDQJFE-DGCLKSJQSA-N 430.324 2.466 30 10 IEEE C=CCN1CC[C@H](N(C)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)C1=O 799143310 IAZNGINBWPIRES-SQJMNOBHSA-N 432.524 2.353 30 10 IEEE Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2ccccc2C#N)CC1 800759890 UWCGHEGUTXQMOB-UHFFFAOYSA-N 431.500 2.440 30 10 IEEE O=C(C[C@H]1S/C(=N/CCc2ccccn2)N([C@H]2C[C@@H]2C(F)F)C1=O)Nc1cnccn1 807937022 VXGAVLZKGQXHDX-PKIUMLOUSA-N 446.483 2.397 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 809889922 PCAMFIGEUBCDDH-IKGGRYGDSA-N 437.541 2.013 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 1141464008 WIJLFUQMROYKEG-PSASIEDQSA-N 430.246 2.200 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)C2=O)cc1 1143719650 CQIFFBNMNVUKKU-PXDATVDWSA-N 445.523 2.371 30 10 IEEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807780 TZNQYJKSHPMCIO-GBIKHYSHSA-N 448.310 2.229 30 10 IEEE CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1165321990 YNZRZVBXRQLRLG-DEOSSOPVSA-N 431.448 2.152 30 10 IEEE C[C@H](CC(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1165488618 BVOQUGMJKLKBDD-IIAWOOMASA-N 435.546 2.225 30 10 IEEE Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)cn1 1171897636 IPKVYIIYGPIQRW-ROUUACIJSA-N 437.496 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCS(=O)(=O)C(C)(C)C3)C2)C1 1179552469 OZKHKITYOPZCQK-AQZMIJIOSA-N 439.578 2.245 30 10 IEEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1225051514 JXMWXTGROIGXIQ-FQEVSTJZSA-N 434.562 2.091 30 10 IEEE CN(C)S(=O)(=O)N[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)C1CCCC1 1252478254 BHJZNWKKKFJEHG-LJQANCHMSA-N 433.578 2.191 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1286282644 ODBATRGBRVTJNP-KZULUSFZSA-N 443.356 2.259 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1286303832 DVRQDDFENJVOLF-FSNCLGKMSA-N 435.569 2.294 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1286304913 YPMURQCZLLZHET-IAGOWNOFSA-N 432.569 2.408 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286319837 WUDGXTHTHCHKJN-UHFFFAOYSA-N 430.578 2.394 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286325713 YZWVAXIQEMFOPJ-HXUWFJFHSA-N 429.565 2.398 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286386733 GRPHPEZSSSNXRM-SFHVURJKSA-N 428.558 2.185 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397085 RJVFZEKKTMIWIT-FRQCXROJSA-N 430.530 2.073 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1286418530 LCQGSTSYCJHXGO-VWLOTQADSA-N 447.539 2.436 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1286449903 AGVYDENVZXVGFS-UYAOXDASSA-N 444.605 2.012 30 10 IEEE C=C(Br)Cn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286547567 IFSBSZYTMQCXMR-MAUKXSAKSA-N 428.375 2.369 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286639110 XUYZYLCHEKKILP-NZQKXSOJSA-N 432.613 2.113 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286706850 VFHCLYYKWINGSW-MSOLQXFVSA-N 427.553 2.437 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1286727059 LQKVYUWUCLQJCR-KRWDZBQOSA-N 426.546 2.251 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1286796611 OBDMEYHDYSFYOP-MSOLQXFVSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1286811442 BODTWBXTESWYGZ-OFNKIYASSA-N 439.516 2.316 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)C(C)(C)C 1289007755 ODCKJUXOAKGFGB-UHFFFAOYSA-N 448.326 2.415 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc2=O)n1 1290676726 ZJLKGVIKGAWYMV-HNNXBMFYSA-N 427.262 2.330 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291904028 VALROGLYKJUBKW-LQTLECTNSA-N 436.516 2.183 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 1292357662 DXRNUQDOQFPWCK-HXUWFJFHSA-N 443.500 2.086 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 1292488223 ZBXNUSPSAXKNQC-UHFFFAOYSA-N 429.473 2.289 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 1294647434 HCKYUVFKENWFQG-SFHVURJKSA-N 430.578 2.029 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300302669 DKWCEJHNIJWHQF-VJANTYMQSA-N 429.544 2.324 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1300309822 IXIYNVVZLUREAM-WMZOPIPTSA-N 443.552 2.135 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300481825 BVQXMFMPAVASLL-CORIIIEPSA-N 438.351 2.243 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301188900 PJQVCTWLKMFEMX-SFHVURJKSA-N 437.610 2.231 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1301502172 CEGGTGOHIFAKHN-UHFFFAOYSA-N 445.589 2.222 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1301555239 AEAUDXYWZBAWGQ-QZTJIDSGSA-N 432.546 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)C)CC1 1301578073 XMCCXASIPYNRGN-UHFFFAOYSA-N 438.985 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1301587739 RPEBBLHHGQQEPN-UHFFFAOYSA-N 446.499 2.498 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CC1 1303941823 HKTGEOXCOJWJFA-CYBMUJFWSA-N 448.453 2.411 30 10 IEEE O=C1C=COC2(CCN(C(=O)CS(=O)(=O)c3cccc(Br)c3)CC2)C1 1304201203 WWOGWMJSGJVBGM-UHFFFAOYSA-N 428.304 2.087 30 10 IEEE Cc1ccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1304362884 OCEUUIVWVKVZEE-HTAPYJJXSA-N 428.537 2.113 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1312829592 HBPALKIDJYSIMW-QZTJIDSGSA-N 444.536 2.175 30 10 IEEE CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1313688392 LLVOILZHKWIDEA-LDSGZGKSSA-N 438.488 2.163 30 10 IEEE COCCn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1316112606 PULRKQFBDGOUQK-NFBKMPQASA-N 441.532 2.415 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1358915514 FTOKYGBAOVNWBP-JTSKRJEESA-N 443.573 2.457 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(C(N)=O)c1 1358940923 RVZLRAYQGCKRLR-UHFFFAOYSA-N 441.333 2.457 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(=O)NC 1359102001 VKEBRROFNSSTJB-HTAPYJJXSA-N 437.548 2.070 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359152763 HUBTYZGKGOSOLU-UHFFFAOYSA-N 443.983 2.151 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359219074 GGHLEJWGAOTOEH-QZTJIDSGSA-N 444.605 2.393 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359303545 SLYOCOGFOWOAHA-HXUWFJFHSA-N 433.560 2.168 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 1453716402 SWGNZUIBWDFRPH-AWEZNQCLSA-N 431.334 2.228 30 10 IEEE C#CCN(CC(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1453812223 KPRYTRWVAYSDHW-QZTJIDSGSA-N 438.908 2.292 30 10 IEEE COC(=O)[C@@H](NC(=O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(C)C 1460875624 KVLUPACEYRYHNG-KKZNHRDASA-N 440.331 2.403 30 10 IEEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)COc1ccc(CC#N)cc1 1460911027 CNBWBDRFTMDTLK-PMACEKPBSA-N 433.549 2.450 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)n[nH]2)c1C 1464156451 CKEPEMIRJQLDHC-QFIPXVFZSA-N 433.472 2.383 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1466172466 LCMXJZNQESEDPX-LEOMRAHMSA-N 446.504 2.216 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H](CO)c1ccccc1I)C1CCOCC1 1470864974 LWAOCZSMVXDEJZ-CVEARBPZSA-N 428.270 2.052 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)C1CCOCC1 1470867929 ZKTYJZUZSLFIES-QZTJIDSGSA-N 449.548 2.047 30 10 IEEE N#Cc1cn(C2CN(C(=O)/C(F)=C\c3ccc(F)c(C(F)(F)F)c3)C2)c(=O)nc1O 1472370390 GWIADZDQJRKASZ-LNKIKWGQSA-N 426.301 2.372 30 10 IEEE C#CCN(C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CCN(C)CC1 1478541515 URKUADLDGWCPAF-UHFFFAOYSA-N 431.480 2.348 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1504530801 FDIRSSBVPCOFGN-PKOBYXMFSA-N 426.496 2.250 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633314 FVJNMLWFXPKIRM-MOPGFXCFSA-N 437.654 2.470 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507680969 MPXUKUNQCXWDHI-IBGZPJMESA-N 431.500 2.249 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1507786550 XWNWMOXHWTUNDB-ZBFHGGJFSA-N 437.342 2.392 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1507844010 AJSTZSPBAMCPCY-GOSISDBHSA-N 439.626 2.084 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1508078801 JGAONLMQEWSOKT-LJQANCHMSA-N 436.560 2.298 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1508115334 IVLQCWPXVHLHSZ-UZUQRXQVSA-N 441.532 2.222 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)C1 1508125339 QSFZISWHXAEPTR-UXHICEINSA-N 438.532 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccccc1 1508131433 MIKBTLKWIKCHJO-GOSISDBHSA-N 431.562 2.359 30 10 IEEE Cc1nccnc1CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1511625967 BXNSKWXEMXWWKZ-HNNXBMFYSA-N 443.515 2.129 30 10 IEEE CCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1514839382 NCWZMMXHKNZZQY-JTSKRJEESA-N 440.552 2.105 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)C(F)(F)F 1517786095 DUKXBNSPFDIZLD-OAHLLOKOSA-N 445.467 2.265 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1519078766 WCMXYHJEWWEWPK-HXUWFJFHSA-N 437.504 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@H](C#N)C(C)(C)C)(C(=O)OC(C)(C)C)C1 1520630154 VSJMCHUKHYUCIC-SPLOXXLWSA-N 425.526 2.389 30 10 IEEE CSc1nc(O)c(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1C#N 1524405105 MCVVOUVHVFKHDT-VGOFMYFVSA-N 441.494 2.242 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1539370333 VIBQAVXEKBQDIV-DENIHFKCSA-N 438.576 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCOC2CCOCC2)CC1 1539482293 LAFBGLCTPOWENL-UHFFFAOYSA-N 431.581 2.028 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCN1CCOCC1 1539634267 AGRFHBPEIDXKCW-UNMCSNQZSA-N 426.565 2.014 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 1540624341 XNAFWJNEHAUROM-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540876262 LRVWHWYMUJXTQV-YVWKXTFCSA-N 441.580 2.226 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1541030607 DQECWOBMESMPIK-AUSIDOKSSA-N 434.500 2.422 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1541999494 CDJYNIBRCJPZKA-UWJYYQICSA-N 435.594 2.251 30 10 IEEE CCc1nnc(N(CC)Cc2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1546435264 QMNKOTFJSGZWJL-QZQOTICOSA-N 438.488 2.122 30 10 IEEE CO[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1554645097 PUFOTELUFYJWJV-SFHVURJKSA-N 436.520 2.275 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1555269688 LFPACPOVZWOKST-SJORKVTESA-N 433.484 2.454 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccc(F)c(C)c2)s1 1556110081 IOMXTVVEBITMSX-SFHVURJKSA-N 440.518 2.233 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 1557397627 CRNUGQQPXMNGRS-AMGRQBIBSA-N 434.290 2.266 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 1561724834 FLMQASSMQUCRQK-UHFFFAOYSA-N 445.335 2.373 30 10 IEEE C#Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1563368663 YYWJXRIEABCDSS-UHFFFAOYSA-N 426.498 2.198 30 10 IEEE COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CC2=O)cc1 1565047223 CTWXJJXNKXPYDM-KRWDZBQOSA-N 437.475 2.343 30 10 IEEE COc1cc(C=NN=C(c2ccccc2)C23CN4CN(CN(C4)C2)C3)cc(OC)c1OC 1565521756 FHEXTPGXTIPROA-UHFFFAOYSA-N 435.528 2.341 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1ccnn1 1587621711 XTIDCOLXAVMFNV-KRWDZBQOSA-N 445.531 2.205 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccnc(F)c4)CC3)CC2=O)cc1Cl 1587685446 RYNBGELXPGZVKA-OAHLLOKOSA-N 427.867 2.447 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588029253 FHVJWYXWNRNSRB-HOCLYGCPSA-N 436.607 2.211 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588045580 MXTBNHQGDKBGRB-KRWDZBQOSA-N 425.489 2.154 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588053099 AZLGXJAIOHLPFF-FQEVSTJZSA-N 428.558 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1588117517 JUUNQKIJDJEWOU-OAQYLSRUSA-N 436.535 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCC(C)CC2)CC1 1588955195 QPDDOLNFBDBEGJ-UHFFFAOYSA-N 426.609 2.318 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1589116399 HKSQICXCSZGMAO-UHFFFAOYSA-N 433.509 2.251 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1589134782 PKYBTLFCLJJTGH-RTBURBONSA-N 430.578 2.215 30 10 IEEE C=CCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595453244 QABMDZGWTPCGPW-JOCHJYFZSA-N 432.569 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@](C)(CC)C1 1595517037 NGZBQCUMBURGIR-QFIPXVFZSA-N 427.505 2.024 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)N2CCOCC2)CCOC1 1610337313 QXIVZVZSSIJIKZ-AVRDEDQJSA-N 434.585 2.168 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccoc1 1613564778 BDDTZSSEBOZCRB-UHFFFAOYSA-N 435.488 2.373 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 1614222499 COOVKMCITOQAIS-MAUKXSAKSA-N 429.546 2.398 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1616640643 AGYRRFUTTARLPX-QHCPKHFHSA-N 440.548 2.493 30 10 IEEE Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCCCCO)cn1 1618396639 FQCYZUGEOTWTRI-UHFFFAOYSA-N 434.548 2.035 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)C1=O 1618559972 FWDABEGBFQMMOB-LJQANCHMSA-N 442.513 2.097 30 10 IEEE COCC[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619806067 YZTBACUBUNKCEE-ZREAOVPFSA-N 442.564 2.400 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1620355040 NPLQVXCUMDHTSJ-CVEARBPZSA-N 428.459 2.133 30 10 IEEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 1622759827 AMLUNSDABYTPFB-RBUKOAKNSA-N 433.379 2.476 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 1623647733 HNXYLRFYDYTJDI-UHFFFAOYSA-N 436.537 2.318 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 1623915011 YBGAHHNJVDJHBW-OAHLLOKOSA-N 440.440 2.216 30 10 IEEE Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc1B1OC(C)(C)C(C)(C)O1 1624463641 YELFBKZIQGMENB-FQEVSTJZSA-N 445.413 2.117 30 10 IEEE COc1ccccc1[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1noc(C)n1 1629432373 CEBFIULFDMQLDU-GOSISDBHSA-N 444.444 2.342 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3n[nH]cc3I)C2)c(F)c1 1629950970 IVSIITLZJJZNSU-JTQLQIEISA-N 425.205 2.490 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1630585162 HUSJSKRLCHBGTH-LSDHHAIUSA-N 434.928 2.421 30 10 IEEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1631795591 XCKXKZWATSTFJY-UHFFFAOYSA-N 437.500 2.090 30 10 IEEE COc1cc(N)c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1S(C)(=O)=O 1634240655 PWRMYQCUWWSARZ-UHFFFAOYSA-N 428.514 2.269 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccc(F)cc1C)C(=O)NC 1638951444 DDEVVNDAEAPJRV-IEBWSBKVSA-N 433.524 2.462 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCOC3(C)C)nnc12 1654743264 MCQTURORIUZOKH-AWEZNQCLSA-N 427.530 2.254 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)C[C@H](O)c3cccc(C#N)c3)CC2)C1 1654982316 ZQTFMZBORMMZFG-GCJKJVERSA-N 426.561 2.021 30 10 IEEE C#CCCCS(=O)(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1666127818 XGRUSHTZKXJIRQ-OALUTQOASA-N 425.595 2.278 30 10 IEEE COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(S(C)(=O)=O)c1 1671999267 DSUBFHQJFYBAOA-GOSISDBHSA-N 442.497 2.287 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3)CCCCCC2)CC1 1678472899 YUBBYIZKLAZXAU-UHFFFAOYSA-N 432.590 2.073 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc2)CC1 1684970411 MJRATHQURLYFQT-UHFFFAOYSA-N 436.535 2.481 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2Cc2ncn(C)n2)c1 1689873671 RLLCZWWKVKGYCW-UHFFFAOYSA-N 446.540 2.163 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1689921223 ZBYASHTWQSDKET-KRWDZBQOSA-N 438.532 2.416 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C 1690155846 PGSMKAHTFXXKNL-HNNXBMFYSA-N 433.965 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1690206080 GTBUZPDSSUSSIU-VGOFRKELSA-N 444.557 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(N)=O)c1 1690243651 NRFNFJRQIDWEAP-ICSRJNTNSA-N 435.532 2.395 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690264650 ZQFBDLNRTOSXTQ-RTWAWAEBSA-N 438.576 2.247 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690354009 BEDKGHSWRNKTRD-UHFFFAOYSA-N 448.886 2.269 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](COC)C1 1690724236 KRNUQUIZJKDHBE-ZWKOTPCHSA-N 426.583 2.373 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCC2)C1 1692844995 AZOFXKWPZQTHKE-HXUWFJFHSA-N 428.562 2.361 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1695537313 GNVSFUKSCCTADB-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE CO[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)C1CC1 1697148500 LJCABDBGFNZFSV-ZBFHGGJFSA-N 435.326 2.200 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1697778077 WLEISXRDPWDRGX-OALUTQOASA-N 425.468 2.113 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1698226741 ZIJBUGWWPRQZTL-UHFFFAOYSA-N 441.532 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705495509 RCUCHNLWRSAMDD-GOEBONIOSA-N 430.530 2.194 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705535919 CPFFOETXSDIDCF-HXUWFJFHSA-N 449.603 2.247 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705564280 BNXIGGCDEYOPMB-MOPGFXCFSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1705598712 PHYNXYWZOHOGEH-VQTJNVASSA-N 437.569 2.158 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCCn1cc(CO)nn1 1705620950 LVTBSHJMTORZCC-HXUWFJFHSA-N 439.495 2.083 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)NC)c2)CC1 1705636718 VHBANBWMNDRWQA-UHFFFAOYSA-N 449.946 2.157 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCSC2)CC1 1705642908 LYPYMXIJZKVVET-GOSISDBHSA-N 427.574 2.374 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 1705705164 DRVOVOFPAGMOQC-DENIHFKCSA-N 430.597 2.160 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705776174 ZOHCPSHBOSEBMN-UHFFFAOYSA-N 435.594 2.274 30 10 IEEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCS(C)(=O)=O)CC1 1705779961 ABJGFXMXNCBBSV-UHFFFAOYSA-N 442.545 2.431 30 10 IEEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705815212 OGSLBTRJUKSWBF-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705906037 PXCWTEMTCFMMLG-FQEVSTJZSA-N 445.571 2.277 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)CCS(C)(=O)=O)cc1 1705910095 REQZJCLUKCIXSR-UHFFFAOYSA-N 427.530 2.434 30 10 IEEE CC(C)=CCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706207337 AJRQBKIQOMOCSW-KRWDZBQOSA-N 430.520 2.468 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CCOC1 1706679993 NYRGRPLFERMXJW-ZPXGPAEQSA-N 433.553 2.251 30 10 IEEE CCCN(CC)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1709715518 FRCHQYUXDSKHKC-SFHVURJKSA-N 428.537 2.423 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1 1711312030 ABSRWAIVNIXYDK-AWEZNQCLSA-N 425.518 2.052 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1C[C@@H]1C 1712557507 SFENXTVWNHDTGZ-SCTDSRPQSA-N 425.537 2.251 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H]2CCS(=O)(=O)C2)c1 1722304817 INUASZVRIMPETJ-SJLPKXTDSA-N 443.573 2.283 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1722337051 UJPNCNRCWUPASI-OAQYLSRUSA-N 448.571 2.314 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722357997 BVKKDEGFBSFGPH-RTBURBONSA-N 435.638 2.467 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](COC)C1)c1ccccc1 1722539959 FNTKAWVTLQPWOA-ICSRJNTNSA-N 425.533 2.354 30 10 IEEE C=CCC(C)(C)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1722592849 ADJKJTUWLXSBSO-HYFFOGBASA-N 433.553 2.467 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722707990 FWWNFGATILRIGA-FQEVSTJZSA-N 438.532 2.220 30 10 IEEE CCC1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1727767380 SAODEOYFOAVTAK-QURGRASLSA-N 435.532 2.417 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1729163501 WNMMAAAGNLQTTM-UHFFFAOYSA-N 440.548 2.066 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1740575900 WMNKRUPIIFOMPW-RTBURBONSA-N 437.610 2.287 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740617865 YDCKIKBHXILMAY-RBSFLKMASA-N 436.500 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740620784 RKYOMCFRFTWREV-RBSBEOHCSA-N 448.614 2.119 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740627302 PFYDATHDUMXZKU-MOPGFXCFSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740636883 HHBLKYIDYUZBRK-HKUYNNGSSA-N 435.532 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(OC)CCOC1 1740646645 HFBNYQWRFPGTMG-FQEVSTJZSA-N 446.349 2.315 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCO2)n1 1740689582 YHNUNLBRMVGWMO-PZJWPPBQSA-N 442.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nccc(C(F)F)n2)CC1 1740697437 DVTJPNKXDNNAMK-UHFFFAOYSA-N 439.470 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)CN2CCCC2)CC1 1740710037 PESGPLDZJJRACW-HXUWFJFHSA-N 442.608 2.217 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740829554 YHGNDBVMVDYELD-QFIPXVFZSA-N 446.573 2.126 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740851322 SVCJFUJZLGIFMT-DLBZAZTESA-N 437.610 2.278 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(=O)N(C)C)C1 1740976949 ASUSVDMHFHAXJI-GOSISDBHSA-N 441.532 2.366 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1nnc(C)s1 1748104599 AJBFEWAMZZTEJH-AWEZNQCLSA-N 438.561 2.428 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1748842316 KPUZGINWEOMFIL-UHFFFAOYSA-N 441.499 2.062 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1748892300 NFQJEEGDAKIJLW-UHFFFAOYSA-N 427.593 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCO[C@H](C)C1 1748901274 VTKISSJRQIPVIT-JOCHJYFZSA-N 437.592 2.104 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1748912463 DMDPELCUDUYRAK-NRFANRHFSA-N 431.562 2.270 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749032554 LLLSCLQWERFQKO-UHFFFAOYSA-N 441.586 2.069 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1749038040 NEEVRONZCZQLSU-QFBILLFUSA-N 430.530 2.009 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749042854 AJHCRPYXZZLKTC-SFHVURJKSA-N 427.578 2.113 30 10 IEEE C#CCSCCn1c(N2CCN(c3cncc4nc(C)nn34)CC2)nnc1C(C)(C)C 1749049269 HGPJGZNRDDZUQB-UHFFFAOYSA-N 439.593 2.015 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749408387 IFKBORMYXRVNLK-UHFFFAOYSA-N 446.515 2.249 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749457333 JXLCPHNUZLBQLX-IFMALSPDSA-N 446.640 2.448 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750561662 YCORPPAEBBTTBZ-SFHVURJKSA-N 439.539 2.423 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1760160247 BXJSKKOUCRRIJV-QGZVFWFLSA-N 444.580 2.473 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H](C)N2CCCCC2)CC1 1760265081 NIQSARWXWCODBA-FKBYEOEOSA-N 444.624 2.022 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760281895 ZPCKNCBNOFLHIQ-UONOGXRCSA-N 431.484 2.143 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1760333611 BNDQAXJNCPTIFM-UHFFFAOYSA-N 433.582 2.119 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1)C1CC1 1760473711 CXHQXNCELZUFFN-RBSBEOHCSA-N 448.614 2.262 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760571539 NYDUQAURYVTJNT-SCTDSRPQSA-N 435.594 2.122 30 10 IEEE C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1761417926 XDDFBNJQLVUWOB-HNNXBMFYSA-N 435.507 2.493 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1761553037 BBHOWGXTQUHNGB-AVRDEDQJSA-N 443.573 2.381 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCC1 1761605757 GOPDRFYZOAMUTA-INIZCTEOSA-N 444.609 2.381 30 10 IEEE CCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1766295356 DFSGXEVPEYACDS-ROUUACIJSA-N 427.505 2.356 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CC(=O)NC(C)C 1769819397 KVYJLHIKIWLLDD-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cnccn3)n1CCCOC(F)(F)F)C2 1770735289 GYXZOFCNZMIZKS-UHFFFAOYSA-N 446.393 2.197 30 10 IEEE CO[C@]1(C(F)(F)C(=O)ON2C(=O)c3ccccc3C2=O)CCN(C(=O)OC(C)(C)C)C1 1772794349 IPTWHVGJBHBNRI-LJQANCHMSA-N 440.399 2.402 30 10 IEEE C[C@@H](C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1)n1nc(-c2ccccc2)ccc1=O 1849056536 JEAOFCCSMLPVOV-SFHVURJKSA-N 447.539 2.472 30 10 IEEE C=CCN(Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)c1cn(C[C@H]2CCOC2)nn1 1853577546 HRTXEZQYYPBIRW-GOSISDBHSA-N 432.546 2.325 30 10 IEEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CC(Cn4cc(Cl)cn4)C3)CCC2=O)cc1 1857339049 KYJLDHJXCNEJLY-GOSISDBHSA-N 425.920 2.348 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OCC)cc2)cc1 1859010079 OLCYYMYUVZYQHY-UHFFFAOYSA-N 444.509 2.035 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2[N+](=O)[O-])cc1OC 1862574477 KBIKHUFSKKAQSG-SFHVURJKSA-N 428.397 2.183 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2sc(C)nc2C)n([C@@H]2CCS(=O)(=O)C2)n1 1870005089 WTTYUSKGGZNCIH-CQSZACIVSA-N 436.563 2.142 30 10 IEEE CSc1ncccc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889317549 ZGVHFNZXPGOEEA-UHFFFAOYSA-N 430.618 2.454 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(CN(C)c3ncc(CC)cn3)CC2)cs1 1891300498 DXFVAVAYPJXVBX-UHFFFAOYSA-N 428.562 2.400 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 1902435474 LFQFRBGSZRGXOG-WDSOQIARSA-N 436.574 2.393 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988628588 YVMQXFPGZFSALZ-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CNC(=O)OC(C)(C)C)C(=O)O 1992724419 YUMDBKOWJRHORZ-INIZCTEOSA-N 425.526 2.299 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010225182 NDJCHCBEROYRLE-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 2023130743 YYJPNEIKLPRRDW-OAQYLSRUSA-N 439.553 2.478 30 10 IEEE COc1ccc(C=CC(=O)N[C@@H](C)C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 2042447133 UZQXPMJVDQXMCK-YOEHRIQHSA-N 427.482 2.398 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060639086 DUFCKIFCQCJUGU-HRCADAONSA-N 435.374 2.088 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640629 WXQIGMRRLUNARD-QEJZJMRPSA-N 432.330 2.264 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124538813 NPUUDJBVMZJFJA-YADHBBJMSA-N 444.341 2.361 30 10 IEEE Cn1cc([C@H](O)[C@@H](N)C#Cc2ccccc2Br)c(I)n1 2235735131 SPCMYPKBJCXVQR-STQMWFEESA-N 446.086 2.200 30 10 IEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CNC(=O)OC(C)(C)C 2243666289 ZSMQHKQRJLDYSX-GFCCVEGCSA-N 425.360 2.486 30 10 IEEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c2)OC1(C)C 2247918994 OBIKJBYBXBNIPV-UHFFFAOYSA-N 428.363 2.024 30 10 IEEE CN1CCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2248511052 UACIUTBNJFLOBA-LJQANCHMSA-N 428.533 2.106 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CO 2255378809 DQNBFDIXBNIHJN-CVEARBPZSA-N 433.358 2.093 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255601263 FRFAJIPNDSVQNV-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632671 PRIHEBHTYMYMQT-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE CCn1cc(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255651756 ZKNYMOQVGFOIFR-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2260111889 IYNOEHMGXMQCCU-QWHCGFSZSA-N 446.300 2.202 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267093069 ZVGAGPIBNCOTSW-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127867 UWZAAGJCMINASF-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267141393 JVZQIXLHXQJPFJ-ROUUACIJSA-N 436.365 2.349 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2267195350 KALYBFZEZVEZCX-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267200345 VTPOPVFGBPEOIB-SFHVURJKSA-N 438.381 2.456 30 10 IEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2267484394 ALGLEBYXDMBZCT-GOSISDBHSA-N 438.381 2.456 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267505308 GJHBPHKMRJWBKY-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4C[C@@H](CN(Cc5ccccc5)C4)C3)nc2)OC1(C)C 2282620664 IDHWHLGKYVSPTB-PMACEKPBSA-N 448.376 2.370 30 10 IEEE CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CN(c3ccnc(C#N)c3)CCO2)n1 2296584555 FORZFLSTASQJAW-HXUWFJFHSA-N 429.484 2.153 30 10 IEEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)N[C@@H](C)C(=O)O)ccc3C2=O)c1 2297473162 NFWKXZQCBKYKSC-LBPRGKRZSA-N 427.409 2.288 30 10 IEEE CCOc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1 2318584399 APNPSVMNDDYDSM-IFMALSPDSA-N 435.524 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(Nc1ccc(Br)c(C#N)c1)C(=O)O 2348630443 QGNNHQPRWWVVEQ-SUMWQHHRSA-N 426.267 2.480 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)Nc3ccccc3OC)CC2)cc1 14382864 XFHPIBGGYDIPHL-UHFFFAOYSA-N 447.513 2.500 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccc(C)cc3)cc21 19978089 DFBUBNZBWKOUHN-UHFFFAOYSA-N 442.493 2.143 30 10 IEEE Cc1[nH]c2ccc(F)cc2c1CCN/C(N)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 22625370 UGTFZNFCMHQCEF-UHFFFAOYSA-N 432.477 2.222 30 10 IEEE Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 41514130 QRWGWJXRLLEXON-JCMHNJIXSA-N 437.540 2.493 30 10 IEEE CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)Cn1nnn(-c2cccs2)c1=O 104824011 BLHINDYXYUDJMA-LVZFUZTISA-N 428.543 2.401 30 10 IEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc(O)c2)cc1 110956090 FQWWWTGZUZQDJN-LCPUNJGISA-N 427.453 2.222 30 10 IEEE CCN(CC)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 111088227 OAHWWQKPIZYOSY-QFIPXVFZSA-N 440.569 2.474 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 238931124 VCCOUUARLVKIAC-WMLDXEAASA-N 425.876 2.425 30 10 IEEE CCCN[C@](C)(C#N)Cn1cnc(I)c1I 304255467 AYTGTANRKJWXSW-SNVBAGLBSA-N 444.058 2.374 30 10 IEEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 438758956 SRIMONVSOCFSOE-UHFFFAOYSA-N 426.498 2.230 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1sc2c(c1C#N)CCCCC2 441220123 SERDJUHZSOTPKV-OHDICMOHSA-N 445.541 2.252 30 10 IEEE CCCc1c(NC(=O)C(=O)NCCOc2ncccc2F)cnn1-c1cccc(C#N)c1 443716221 ICXXWNBLOVHEJF-UHFFFAOYSA-N 436.447 2.364 30 10 IEEE N#Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 460273260 HVEUPLXDUUGUNL-UHFFFAOYSA-N 438.509 2.026 30 10 IEEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)c1 461276430 DHSKFLXXGRBVSP-SFHVURJKSA-N 429.440 2.291 30 10 IEEE CNC(=O)c1cccc(OCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 473575030 ZPYOZTYKXKKTRM-HXUWFJFHSA-N 426.904 2.487 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)cn1CCOC 481403970 SQIJEDLPSRYLPH-AWEZNQCLSA-N 434.493 2.378 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501548736 LSKYYEKIGJLYFR-LEWJYISDSA-N 432.524 2.431 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)CC1 508787813 ADUIWWXBGNYSJO-OAQYLSRUSA-N 428.496 2.388 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 508944471 FBUGZTJSPBHORZ-IBGZPJMESA-N 438.580 2.379 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 519481972 ADJQFSQXOOHKLU-OAQYLSRUSA-N 432.480 2.017 30 10 IEEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 531147445 BJDNAZMIZDEBKJ-UHFFFAOYSA-N 448.342 2.396 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)o1 531598183 RKTGUXSBKGPCPH-UHFFFAOYSA-N 447.516 2.026 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCO3)CC2)c1 549495786 DLLMZMJBGFYNMG-RTWAWAEBSA-N 439.516 2.464 30 10 IEEE Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 552482447 KNNJKEQRDRSBOX-MRXNPFEDSA-N 439.335 2.433 30 10 IEEE N#Cc1c(F)cc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1F 568317513 YWJXVEDDVVGDNA-LJQANCHMSA-N 439.422 2.002 30 10 IEEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccc([N+](=O)[O-])c1 583061344 KFXFUELDNFXBRU-OAHLLOKOSA-N 428.470 2.103 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@@H](C(=O)OC)c2ccccc2)nc1C 586303695 NHUBLUMLUBQXAZ-HYDGNGQDSA-N 436.511 2.396 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 609841773 ODMNUIIVQIEZBI-UHFFFAOYSA-N 448.508 2.259 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CC1 609845303 JYBQSOZPXBEJEO-HKBQPEDESA-N 440.569 2.446 30 10 IEEE N#Cc1ccc(OC2CCN([C@@H]3CC(=O)N(Cc4ccc(C(=O)O)cc4)C3=O)CC2)cc1 610259396 WUVOVZAQNMCXEK-OAQYLSRUSA-N 433.464 2.427 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 731020396 PXXKGWXQHSDUBG-KRWDZBQOSA-N 449.573 2.365 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732651180 YTFWKTOQKPNMNJ-FQEVSTJZSA-N 430.574 2.452 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)CC1 732752964 LZQYOCXOQDOHSI-UHFFFAOYSA-N 439.419 2.177 30 10 IEEE COc1ccc(C)cc1N1C[C@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1=O 734293272 PXYSYXMKFXAJBK-MRXNPFEDSA-N 427.482 2.042 30 10 IEEE C[C@H]1CCN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccccc2S1 741340574 FKKXBINCAJDIFZ-WBOBJJNYSA-N 429.498 2.364 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@@H]1C(=O)O 757273910 FTSAJNXBPCOTFI-FCHUYYIVSA-N 448.475 2.229 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 777760376 OCAOCFKMHDFQSP-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3c(C)ccc4cccnc34)cc2C1=O 785055076 MOFVIOZRUYJVEN-UHFFFAOYSA-N 435.461 2.444 30 10 IEEE N#Cc1cnn(C2CCOCC2)c1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 794044352 ZVNRPRIBLLKCOY-UHFFFAOYSA-N 443.407 2.408 30 10 IEEE N#Cc1ccc(COC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1F 795394704 TZENVMZDJMABJR-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 796469236 MKDWUDVBXYXZKY-RLLQIKCJSA-N 428.533 2.247 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 806732512 QZAQGQFKYXUKTO-QGZVFWFLSA-N 430.505 2.053 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CC1 812252324 VRUIMFRDGKRGCP-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE COCc1nc(Cl)cc(NN=C(C)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 814975447 HHNSEEPYIWQGLA-UHFFFAOYSA-N 439.925 2.133 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCSc3ccccc32)c1 857835964 CDEOAFJKGFUYFV-HNNXBMFYSA-N 444.534 2.282 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)cc1 1084484645 QZPLIYRHZOEZQT-UHFFFAOYSA-N 440.533 2.243 30 10 IEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccccc3F)n2N)cc(OC)c1 1084502003 SIYGMNFZNMZFRD-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc2ccc(Br)cc2c(=O)o1 1124650219 HSTSJSZPKDKRBC-UHFFFAOYSA-N 444.245 2.239 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CC1 1128333392 PMFPREYBRJLYDU-HXUWFJFHSA-N 443.544 2.119 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CCN4CCCC4)CC3)C2)C1 1135915429 LIIKJUGGLBLVOF-VIHQBZHPSA-N 445.608 2.013 30 10 IEEE C=C(CCN(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1151828189 PSIBPBKUBPHDHF-UHFFFAOYSA-N 438.594 2.222 30 10 IEEE CCOC(=O)CON=C(C(=O)N(CC)Cc1nc2c(s1)C[C@@H](C)CC2)c1cc[nH]n1 1159676736 KWKAYCOOBTZSQU-ZDUSSCGKSA-N 433.534 2.324 30 10 IEEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1162846645 VAWQXDHEMGNELP-FQEVSTJZSA-N 425.529 2.336 30 10 IEEE CN1C[C@@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](c2ccccc2)C1 1233851673 HMYJZADFCUZEBF-ZRNYENFQSA-N 427.549 2.390 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1286313919 HRPFNBLNKQXSLT-DLBZAZTESA-N 431.562 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C(C)C)N1CCOCC1 1286401718 QNVYVXUYWVVUTH-NRFANRHFSA-N 436.516 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1286493664 WSCQSTNYYZSZSL-YADARESESA-N 444.624 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCOCC 1286553513 FGUSCYWXMDBOTR-BZSNNMDCSA-N 426.583 2.024 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)Cc1ccccc1 1286722859 VFJPNRPGYIYRPB-UHFFFAOYSA-N 443.529 2.243 30 10 IEEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1286727625 VTTQHYUMHLWAAJ-GOSISDBHSA-N 435.550 2.084 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCn2cnnn2)cc1C 1289740966 WFFUNWPNAPXVFI-JOCHJYFZSA-N 448.535 2.354 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(-c4ccccc4)n3)CC2)cc1 1290636956 DAZVYBOWDCVPCU-UHFFFAOYSA-N 433.493 2.162 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1295174468 OWGGPTFPLKEOCA-LPHOPBHVSA-N 429.546 2.257 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1 1296129858 CBAWHXSTJVXSEY-FPOVZHCZSA-N 429.613 2.328 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)C[C@@H]1C 1299458328 ZKLVJPHGTYQMKG-QFBILLFUSA-N 440.504 2.185 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1300439943 NFOQCXRABUPWIV-MRXNPFEDSA-N 448.545 2.008 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1300805925 LJCWIHQPCSYWDG-YSZBQJHXSA-N 442.585 2.470 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C 1300896066 XRIBVFZOMRGGJR-ULQDDVLXSA-N 425.599 2.027 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)CCC)CC1 1301492815 OJZYHKOIPLLTMI-UHFFFAOYSA-N 445.955 2.181 30 10 IEEE COc1cccc2c1OCCC[C@@H]2NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1303168689 SCILBEWWBBTIBB-KRWDZBQOSA-N 429.498 2.449 30 10 IEEE C#CCOCCN(C)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1306014520 IFSJTKBNEKHSDP-UHFFFAOYSA-N 428.510 2.090 30 10 IEEE CO[C@@]1(Cn2c(N3CCC(CC#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1315280206 REFFZOMWQKWKQC-YADHBBJMSA-N 433.553 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC[C@]2(CCOC2)O1 1316269519 JVQLUOWYEGZRNN-GOYZHWMFSA-N 433.553 2.326 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC(=O)N2CCOCC2)cc1 1316529112 AVEBPTHKVRTARA-UHFFFAOYSA-N 448.449 2.454 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CCO1 1316540341 JPCQNLLGJOVVBY-ZWKOTPCHSA-N 433.896 2.045 30 10 IEEE C[C@H](NC(=O)[C@@H](C)OC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(S(N)(=O)=O)cc1 1319915065 DQAIGQOQQSLRJI-LSDHHAIUSA-N 441.509 2.046 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1358949430 BQKPDKHLAHFKFL-QFIPXVFZSA-N 447.555 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(OC)CCOC1 1358991281 UFEYFYANMGFXKH-XMMPIXPASA-N 430.512 2.399 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1359000492 WYVVRSOAFKEHAP-KLAILNCOSA-N 425.599 2.332 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1359024458 NLXZYIUCNXOAHV-ROUUACIJSA-N 435.569 2.417 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)CCOC)CC1 1359030795 GBSRDSLUTKDQKC-JOCHJYFZSA-N 449.502 2.089 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)NCC)c2)CC1 1359034861 FDICRUQWFDSGPQ-OAQYLSRUSA-N 436.560 2.073 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NCCOC)CC1 1359053697 VZRHFZNLBANINN-UHFFFAOYSA-N 445.564 2.430 30 10 IEEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359229194 BBGHTSSHHCOORV-FVJLSDCUSA-N 436.509 2.026 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1359259460 WSNIMIMSIVUTFA-JMQGSBJISA-N 436.603 2.141 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1359619764 DMRDNQPJJPKVRB-HXUWFJFHSA-N 447.547 2.240 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCC12CCOCC2 1454877847 JYSPWSIGAKAZPS-AEFFLSMTSA-N 433.574 2.463 30 10 IEEE C=CC[C@@]1(C(=O)NCCNc2cc(C)nc3ncnn23)CCCN1C(=O)OC(C)(C)C 1465585820 DZIPIJITIQEDQS-NRFANRHFSA-N 429.525 2.307 30 10 IEEE C=C[C@H](COC)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1469895614 QECCTAYYTWETAP-MRXNPFEDSA-N 426.558 2.125 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)N(CCO)C[C@H]2C)n(-c2cccc(F)c2)c1C 1473564722 OIJYETATGSZXCY-HZPDHXFCSA-N 427.524 2.430 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)CC1 1475835937 DZZLOJJZTVXEML-UHFFFAOYSA-N 435.594 2.002 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1476411660 FNBKFKKIFMXQBY-HRCADAONSA-N 426.498 2.185 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1479061642 VKCVKIQIVIQTBL-MSOLQXFVSA-N 438.569 2.010 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCC(C)(C)O 1494135762 GXGTWZZDOSEZJF-INIZCTEOSA-N 426.569 2.404 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1496286853 NDHBTSJOLSBDDT-UWVAXJGDSA-N 440.548 2.241 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)C#N)ncn1 1503832149 VEWJRJBDUHQHLW-IXDOHACOSA-N 425.541 2.226 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCCc1cnn(C)n1 1504434476 FDUXAUCKVJECQN-UHFFFAOYSA-N 436.520 2.367 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1507522618 XBEYVKUHLIJUOZ-AWEZNQCLSA-N 448.545 2.006 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNC(=O)C(C)C 1507637803 TZSMLLAPWUAFHE-UHFFFAOYSA-N 434.544 2.382 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1507651669 AUANRUVUIBGFOI-RBUKOAKNSA-N 441.532 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1507668351 BEFCFEXMXYTPCU-UHFFFAOYSA-N 438.495 2.109 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507790725 COUPASBYZBQWNK-IAGOWNOFSA-N 439.402 2.254 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1507835784 MBJOPLJVBBHWGW-UHFFFAOYSA-N 448.568 2.021 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507959764 OIARHXVTAIMNKA-FQEVSTJZSA-N 435.532 2.450 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1508095813 VVCXIZHRLQIVEY-QGZVFWFLSA-N 443.552 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(C)C)CC1 1508142666 FSNKBUJWMHIXJE-UHFFFAOYSA-N 431.606 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@](C)(c2ccccc2)C1 1508148558 JDDDNBLMZBHLNU-NRFANRHFSA-N 434.562 2.167 30 10 IEEE CN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1517310931 FMULLYLUSYCVBX-OAHLLOKOSA-N 439.398 2.076 30 10 IEEE N#Cc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nc1Cl 1525420214 GCILLVUXXDVRJC-MRXNPFEDSA-N 430.867 2.193 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccn2ncc(Br)c12 1525869009 BLYZQWWORGNZCZ-GFCCVEGCSA-N 426.278 2.109 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1533451510 MKGQPUQBYVABRN-UHFFFAOYSA-N 445.292 2.450 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1538976184 JMQIYHHCHBYYBQ-YKSBVNFPSA-N 445.608 2.422 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1539124432 GKLAZCBQJXGJAK-VQTJNVASSA-N 428.558 2.042 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1CCOC(C)(C)C1 1539132352 JFULOFOWIVRIPG-UHFFFAOYSA-N 444.605 2.230 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1539203543 RUEHGOPOABCJGT-WBVHZDCISA-N 430.530 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)C2CCC2)c1 1539231606 UJZOXNIORIQOAX-UHFFFAOYSA-N 444.539 2.374 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1539340119 FZMIKDXUCLFVCV-OAQYLSRUSA-N 438.576 2.258 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1539541780 LQLKOVJNIXJEJL-NHCUHLMSSA-N 438.594 2.136 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1540071600 GPLHMJOQAYJAQO-HUUCEWRRSA-N 433.525 2.059 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540092960 ULTFRHBZOGXNRF-CUWPLCDZSA-N 442.564 2.293 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nc4c(cc3C#N)C[C@H](C)CC4)C2=O)cc1 1540206358 ZSSZQZSWYWRCFM-JBEBIEQOSA-N 447.495 2.492 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1540550434 PUOIWJJCOFBELF-OALUTQOASA-N 434.512 2.464 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1541233549 MWMNXZIGYCNCCT-WKRVVKTRSA-N 440.573 2.080 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1)OC 1546009890 AXOLBPNLHNSUEL-VGSWGCGISA-N 426.521 2.116 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSCC)C1 1547779054 CLEGNBUQAICANM-GOSISDBHSA-N 448.618 2.478 30 10 IEEE Cc1nc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)ccc2n1[C@H](C)CO 1556604297 AUOJWYBUIOZDNJ-ZIAGYGMSSA-N 441.513 2.075 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnc(OCC(F)(F)F)c1 1556878470 HWBVWULZGBESTA-UHFFFAOYSA-N 442.419 2.480 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 1558101795 PKQQNNLPHPCTPM-LQANCAKYSA-N 444.435 2.066 30 10 IEEE CC(C)(CO)c1nc2ccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2[nH]1 1568507346 BJUJFTWSTORADJ-IBGZPJMESA-N 431.496 2.235 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 1583811817 MZXMJZDIPLVVEO-AABGKKOBSA-N 427.501 2.032 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccs2)c1 1587693620 USQUVFJOKYZKKU-GOSISDBHSA-N 434.525 2.395 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1587842983 YDMWQAZNAYWDJQ-FQEVSTJZSA-N 435.576 2.277 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(COC)cc2)CC1 1588733665 XWWJTEFAZQNGDT-UHFFFAOYSA-N 438.576 2.146 30 10 IEEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccccc1NS(=O)(=O)C(F)(F)F 1588775674 SIOLKJKXMIYTBZ-MRVPVSSYSA-N 430.273 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC(C)CC2)CC1 1588913346 HUHSHCADQBDOST-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1589088825 KBBXUEQEYVRVKJ-JOCHJYFZSA-N 427.574 2.405 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1589151407 YRFVXUPBNDJROK-OXQOHEQNSA-N 435.594 2.087 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589496561 YKCDIADKSSZICL-MLHJIOFPSA-N 425.599 2.291 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccn(CC)c1=O 1595190791 HDYBYGMEWVXSSS-UHFFFAOYSA-N 443.515 2.329 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c1 1596358790 KAPJLSXTJWNLEW-USMQXWLVSA-N 434.562 2.475 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1597052956 BQNCDXMWKBCBQQ-NVXWUHKLSA-N 428.485 2.440 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)c1 1598310854 MWGCTAJCVGQXTA-UHFFFAOYSA-N 425.466 2.259 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1611766887 DDQZGCFQWPQWRM-ZRGWGRIASA-N 439.486 2.243 30 10 IEEE C[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612767576 VUCRGUNDOQQVEV-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@H]2C)cc1 1619228217 FAKMPFMESQYQLX-RBUKOAKNSA-N 426.565 2.388 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C[C@H](C)O1 1619737822 UCUZFPPPYIXJAO-WMQCIHAUSA-N 441.532 2.252 30 10 IEEE C#CCN1CCN(C(=O)CN2[C@H]3CC[C@H]2CC(O)(Cc2nc(C(C)(C)C)cs2)C3)CC1 1620628543 PNJZGYDIRUXCSN-OALUTQOASA-N 444.645 2.118 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CCC4)S(=O)(=O)CC3)CC2=O)cc1Cl 1626602271 BFHXNSRQFQOESV-HNNXBMFYSA-N 435.933 2.134 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)s1 1628946928 MUMSJHNKPUNRQC-UHFFFAOYSA-N 437.543 2.104 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 1629068664 KWNYVTUDEWALTD-UHFFFAOYSA-N 429.274 2.449 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 1635737060 DNPSGNJFFMARSQ-UHFFFAOYSA-N 437.243 2.285 30 10 IEEE COC(=O)CCN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1C 1637475057 JROOJXCGLITQME-QGZVFWFLSA-N 430.354 2.004 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)cc(OC)c2)cc1 1637684570 FKHXCKLHHJIOKC-UHFFFAOYSA-N 437.315 2.299 30 10 IEEE COc1cccc([C@]2(C)CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1640533920 QBGCJQFKHKUHBV-KSFYIVLOSA-N 427.526 2.424 30 10 IEEE CSCC[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1642539444 BJOULSZEWHETFK-SLFFLAALSA-N 440.569 2.478 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)C1 1645229730 FBENQKRMZKCIAG-GFCCVEGCSA-N 449.392 2.203 30 10 IEEE COC(=O)c1cc(C(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(C)[nH]1 1654154264 BKHAYSPUYHTUIS-UHFFFAOYSA-N 432.484 2.376 30 10 IEEE Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C2CCCC2)n1 1661362091 HNNXQRFERQDJSQ-GOSISDBHSA-N 427.530 2.423 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)ccc1Br 1662783810 GGESGVNEPNGAQK-HUUCEWRRSA-N 433.349 2.051 30 10 IEEE C=CCC1(NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CCOCC1 1664934536 HALQTFDFPNJGLD-UHFFFAOYSA-N 444.351 2.043 30 10 IEEE Cn1cc(CNC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)c(-c2ccc(C#N)cc2)n1 1671561738 JZTXUPSLPMUIFZ-HXUWFJFHSA-N 435.509 2.428 30 10 IEEE C=CCN1CCC(NC(=O)N[C@@H](CO)c2ccccc2I)CC1 1677128895 YASGQPVNVLRMNT-INIZCTEOSA-N 429.302 2.274 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)C2=O)cc1 1682228005 XXTYBJLQZPNDLI-SFTDATJTSA-N 443.511 2.212 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1683173100 MBDBUHDFSMMPJE-LJQANCHMSA-N 432.521 2.352 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(C(C)=O)CC1 1689943726 AKLHOLLTBAVWSA-UHFFFAOYSA-N 442.951 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCN(C(C)C)CC1 1690020935 BDHYGAZTFWEVGF-UHFFFAOYSA-N 441.526 2.455 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 1690113978 ZHLRAVKLAQQRPU-XMMPIXPASA-N 439.560 2.051 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1690245303 GQQLKQNONHVASK-OTWHNJEPSA-N 432.569 2.352 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690302897 NSJQOHUJEKROLQ-NRFANRHFSA-N 426.477 2.162 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OC)c2)C1 1690684316 CWEOYHSIZCOSOG-KRWDZBQOSA-N 429.521 2.263 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1690747069 SBOPWGVVYGOITN-SJORKVTESA-N 443.639 2.157 30 10 IEEE Cc1cccc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1692957275 HSOXNYMKFGKFSP-JXXFODFXSA-N 434.541 2.442 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)(C#N)CC2)C1 1696877698 WEPWUDMMPACKII-NRFANRHFSA-N 425.493 2.050 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)c1ccccc1 1698230331 BUTPBKDLHYHOOI-AOIWGVFYSA-N 447.561 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN(CC)S(C)(=O)=O 1705593335 OGIMQEMKFMBZKQ-UHFFFAOYSA-N 448.980 2.128 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(CC)c1 1705695841 ZMIHVUJHENYGBE-RBUKOAKNSA-N 427.553 2.348 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1705724923 ZDJSGCFKBWIIPN-KRWDZBQOSA-N 441.532 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCNC(=O)[C@H]1CC 1705896735 WQAJFEPHJXHSSB-GDBMZVCRSA-N 442.589 2.148 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705913513 QFHQTMBQOVJBDG-RTBURBONSA-N 426.517 2.204 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1c(C)nn(C)c1C 1705933673 OQYWSOFRMWZENN-UHFFFAOYSA-N 432.550 2.434 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705934364 KASWLPOJCYMABG-UHFFFAOYSA-N 430.578 2.170 30 10 IEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705948347 QAGUSHOMLDPVKT-UHFFFAOYSA-N 446.602 2.370 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C 1711220407 DQKCOXQRIZMRLE-NRFANRHFSA-N 449.559 2.481 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1cccs1 1722373058 DJOQDESYNDFUPW-FGZHOGPDSA-N 428.558 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCn1cc(Br)cn1 1722394557 WTAFGCCTIYIOKR-UHFFFAOYSA-N 439.321 2.247 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722503914 DUYKMXOPXACIHM-ZVDOUQERSA-N 426.565 2.478 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722604302 XMTXBOXXHMMNHE-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722622986 XDBVEFGZBISKTC-DYXWJJEUSA-N 432.613 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1722693013 BERFVMMOXHLRRR-LJQANCHMSA-N 446.983 2.448 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722699151 RWNDXDUBLNWRGB-GOSISDBHSA-N 436.516 2.004 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722703029 UYHUUXYWJJEDLU-MSOLQXFVSA-N 429.569 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(C)(C)O)cc2)C1 1722709651 VCWHVEQQFJCBGT-IBGZPJMESA-N 427.549 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC1 1722725928 ULHSYDPLJJANNP-UHFFFAOYSA-N 437.953 2.063 30 10 IEEE CC(C)[C@H]1CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1723209506 LJUMJKCDGQIXTL-KHOFPDMRSA-N 435.532 2.415 30 10 IEEE CCCN1CC[C@H](Cn2c(COCC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1728133704 GDINYJOTJKXGJP-FQEVSTJZSA-N 438.580 2.140 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1729498556 PZDGSVSVIUJRCX-UHFFFAOYSA-N 448.474 2.102 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1729560318 MUAKKXSPQMHAIJ-OAQYLSRUSA-N 437.592 2.458 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740596876 GZHPMZJSGVAVJI-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740597404 NXDLUTQFYBBFLW-JOCHJYFZSA-N 444.557 2.294 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)on2)CC1 1740598169 GWCATVHKXJTLMP-ICSRJNTNSA-N 428.537 2.034 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740955805 HJUADRJRTPNZBB-UHFFFAOYSA-N 447.543 2.441 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1741209546 ZLGBKVDYVPBCFY-UHFFFAOYSA-N 447.547 2.171 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1743902716 HYXBBGDDSIQVBR-KRWDZBQOSA-N 438.580 2.474 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2ccc(C#N)o2)cc1 1744346058 NTMGUJRTDANKAU-UHFFFAOYSA-N 447.543 2.231 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1747420083 VWPJJPPHNWUMQZ-VQIMIIECSA-N 447.561 2.025 30 10 IEEE CN(CC1CCCCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1747837116 RYQCDILVXDKPAA-VZCXRCSSSA-N 438.536 2.222 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1C 1748656846 ZXBRLHUMZKENJB-GFCCVEGCSA-N 430.310 2.351 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1748732239 WTKRGRMQFBRKFG-ICSRJNTNSA-N 445.589 2.140 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)C)CC1 1748737140 XXLWGGWSMLBAPW-UHFFFAOYSA-N 443.621 2.490 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817319 ISRWRYQTWFOSDR-WTGAGXSVSA-N 426.542 2.122 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749019851 DRNIJADDXIDXSM-UHFFFAOYSA-N 441.483 2.018 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CSC 1749103550 BDXRBYGAMUPFEI-STQMWFEESA-N 435.413 2.421 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749193290 FRSBVKUYXRAGJW-SFHVURJKSA-N 449.577 2.369 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749427270 NYAROOVTUFGVPT-IBGZPJMESA-N 449.621 2.375 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1749448236 WEGAWSBQCFJIQR-QGZVFWFLSA-N 449.577 2.013 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749677648 GSHNTBBXQMWSOP-WOJBJXKFSA-N 438.576 2.449 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCOC)C1 1749697173 IEJOARZFIWJYGQ-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1749744402 JOIZUOZRTQESIH-DOTOQJQBSA-N 443.639 2.060 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1750005909 DHIUYBSBJBYLIA-JZJXAQOMSA-N 434.585 2.241 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1750197507 PUBLLXCYHSQCSF-UHFFFAOYSA-N 439.488 2.112 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)o1 1751493638 BHWDQCMXHZHVPR-FGTMMUONSA-N 428.537 2.463 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760187375 VNWIQYLFDAUKIC-WOJBJXKFSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(Cn2ccnc2)c1 1760208056 HBWGOKGXRSLRPO-GOTSBHOMSA-N 444.539 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H]1OC 1760214963 JXWXPCZMNSKNIZ-CTNGQTDRSA-N 430.516 2.199 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CSC)c1 1760249509 NBRGDPBXYBGDGE-LJQANCHMSA-N 448.614 2.178 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC=CCO2)CC1 1760268717 WEEHMZOIJQJKOV-IBGZPJMESA-N 435.528 2.265 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760318721 IAVZELCYXMNSBR-LNLFQRSKSA-N 433.578 2.278 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1760336360 XZNPZCCMLFEJNN-QUCCMNQESA-N 439.564 2.481 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1760451420 ISYQBWKIURURED-FQEVSTJZSA-N 441.532 2.346 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760556491 FRGHVKYLRPLRCG-AEFFLSMTSA-N 435.619 2.204 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1760874764 PAGSWQIXFOHVNW-GOTSBHOMSA-N 441.532 2.131 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1761362189 APVREKRGIKDHDD-NEPJUHHUSA-N 425.502 2.214 30 10 IEEE Cc1nnc(N(Cc2ccccc2)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1762529702 QHSJRBXESCCKBB-LURZSEBBSA-N 436.516 2.299 30 10 IEEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1767030488 FGFCCPOOMJPZHN-UHFFFAOYSA-N 436.520 2.364 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C)C(F)(F)F 1768057407 YNGZEVMDYHHPHU-CJNGLKHVSA-N 436.438 2.451 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCCn1cc(CO)nn1 1768659237 AKCSVTMOWAUJCF-UHFFFAOYSA-N 429.488 2.022 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770738988 OODSFSMVVORKEY-IEBWSBKVSA-N 425.537 2.048 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)OC 1770781336 RXFKTGNOBBTYKQ-NRSPTQNISA-N 441.532 2.395 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)C1 1771347226 CWONENZRMHPEJX-OALUTQOASA-N 429.546 2.399 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1771374330 DLRLEBJGQOVVPU-SFHVURJKSA-N 428.562 2.300 30 10 IEEE Cn1c(O)nc(N2CCN(Cc3c(F)c(F)c(F)c(F)c3C(F)(F)F)CC2)cc1=O 1849173113 QJCSXRPPWPCMRK-UHFFFAOYSA-N 440.319 2.383 30 10 IEEE Cc1nc(N(C)C)cc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 1849696983 GUPXLTSDQUKJOG-UHFFFAOYSA-N 425.562 2.034 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)CC(=O)Nc2cccc(Cl)c2)CC1 1851766419 CDXDPBLWTZPLBF-UHFFFAOYSA-N 427.892 2.301 30 10 IEEE N#CC1(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)CCOCC1 1852540353 OXONMQSJFCLEDK-VXKWHMMOSA-N 436.556 2.354 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3cccc4ccccc34)C(=O)O2)CC1 1856604658 XZBZLPIDEHRMNY-LJQANCHMSA-N 427.482 2.366 30 10 IEEE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)CC1=O 1857294337 QHTANYFGOABNBL-QFBILLFUSA-N 428.920 2.364 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862754121 DORVDZXJIJERCD-APPDUMDISA-N 427.369 2.462 30 10 IEEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870458914 AIAIRIRNTWXHHP-UHFFFAOYSA-N 441.528 2.165 30 10 IEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CCC)CCC)cc1=O 1870561221 DNNRBEUXSHKFAI-UHFFFAOYSA-N 445.585 2.372 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1896417178 NIQWZWZUEFHPSN-MCIONIFRSA-N 427.498 2.035 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1962801296 VWSSCVYSFWCKGA-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677680 IPTYIUKPPRIUBB-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE C[C@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164487827 QIWXYEFFCQPMAF-IFGKTQOSSA-N 437.493 2.044 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2224138648 CTRKDCCZLJHQRT-WBVHZDCISA-N 433.358 2.093 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835125 GQEUHGQEXZYEQT-OCCSQVGLSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NCC=CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2248416201 OEZAZZUCUMRNPK-UHFFFAOYSA-N 437.733 2.476 30 10 IEEE Cc1cnc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255865741 KUGRRTJMYZRBNC-HOCLYGCPSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255953703 MRGJBYWTZQOTOU-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256617709 LLLKJMQDCOJWBB-ZSEKCTLFSA-N 449.382 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2256676634 QLYKIOLRMSNDSV-YGHRGLEHSA-N 436.358 2.489 30 10 IEEE CC1(C)OB(c2sccc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256921758 AIYLQPFWUOXTSJ-UHFFFAOYSA-N 444.362 2.364 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267013084 FBCNUTNPBODTAB-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267266862 FXEZSTURKGMBQW-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268640960 KHMPZGHGOYBILN-GOSISDBHSA-N 448.369 2.184 30 10 IEEE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2278693248 RZLOLVMFIQONEC-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE Cc1ccc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282667698 UPUWSOVXGVTJJI-OAQYLSRUSA-N 449.404 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2312849614 JSGWSGHHLQFTQW-RRQGHBQHSA-N 429.326 2.118 30 10 IEEE N#CCNC(=O)C[S@@](=N)(=O)c1cc(I)ccc1Br 2316460446 JJAWFUJLBVJLRX-GOSISDBHSA-N 442.076 2.099 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(OC)c(OC)cc1OC 2330971169 ZHTLRDQMAYYNRX-ZDUSSCGKSA-N 436.490 2.303 30 10 IEEE Cc1cc(C)nc(NC(=NC(=S)NCCCN2CCOCC2)NC2CCCCC2)n1 14156502 SNTOYXZQVNRWSB-UHFFFAOYSA-N 433.626 2.380 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 20293000 JULWIRZPBUYKIH-KEBDBYFISA-N 442.461 2.086 30 10 IEEE COc1ccccc1CNC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(C)c2C)n1 59309878 HNUCNEIWQRZHKV-UFFVCSGVSA-N 428.522 2.018 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1=O 429081289 FEXOHDGZAKFPFX-IBGZPJMESA-N 431.500 2.118 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC3(CN4CCOCC4)CCCCC3)cc2C1=O 434148335 PEQAIZJQIHOSIG-UHFFFAOYSA-N 425.529 2.481 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 439250476 MEYUFAMLUOYSCU-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460808474 XQQNHCICKKVZNB-UHFFFAOYSA-N 445.589 2.480 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCCCC#N)C1=O 474393969 IZRBAIHPYWMCJV-ROUUACIJSA-N 435.546 2.284 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 480114492 NRPBNWWPSCRASK-YVEFUNNKSA-N 447.314 2.369 30 10 IEEE C=C(C)Cn1c(SCC(=O)NCCc2nnc3n2CCCC3)nnc1-c1ccco1 483432250 HHAYMCKJBCQPPX-UHFFFAOYSA-N 427.534 2.493 30 10 IEEE C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 486503308 BELROQGBYPFCMY-UZLBHIALSA-N 429.484 2.300 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 490861235 VATAYKVXVQETSB-GOSISDBHSA-N 442.882 2.383 30 10 IEEE C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)S(N)(=O)=O 496351739 XCLYNEOYWLNZDA-VIFPVBQESA-N 447.464 2.423 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 508962118 PFAKLLREUWQAEQ-MRXNPFEDSA-N 443.932 2.226 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccccc3)c2=O)o1 527277610 IZLOCYFCKDOOCD-GOSISDBHSA-N 434.517 2.358 30 10 IEEE COc1cc2c(cc1CN1CCN(S(=O)(=O)c3ccccc3C#N)CC1)O[C@@H](C)C2 534336127 HNBRWAAKMBCXSN-INIZCTEOSA-N 427.526 2.397 30 10 IEEE N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 550585125 OYSZKXZJQWHLDL-IBGZPJMESA-N 448.527 2.432 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H](Cc3cccnc3)NC(=O)c3ccccc3)C2)nc1 552902633 OMOMQDAFTIWMKQ-VXKWHMMOSA-N 441.491 2.369 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n([C@H](C)c2cccs2)c1=O 569512867 BZFUZDQGBKWFPR-CQSZACIVSA-N 438.578 2.495 30 10 IEEE N#CC1(CNc2nc3cc4c(cc3nc2NS(=O)(=O)c2ccccc2)OCCO4)CC1 574344101 LFJOIANAUMKRHF-UHFFFAOYSA-N 437.481 2.917 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 580130726 IQGYIMIZSPHRNM-RBUKOAKNSA-N 431.562 2.009 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](NC(=O)c3cccc(C#N)c3)C2)c1 586075274 YYTYGZHUKWYNOB-KRWDZBQOSA-N 429.498 2.159 30 10 IEEE N#Cc1cc(O)cc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 589157918 LVMACFLRHFKCHY-UHFFFAOYSA-N 439.415 2.429 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OCC)cc1 590980343 GCFZAUBFBSNBBW-UHFFFAOYSA-N 433.533 2.327 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 608826405 AXDAUAPVQOZYPI-YOEHRIQHSA-N 441.509 2.115 30 10 IEEE N#C[C@H](C(=O)c1cnn(CC(F)(F)F)c1)c1nnc(N2CCOCC2)n1-c1ccccc1 682497100 BBEKIRKSLANTTL-MRXNPFEDSA-N 445.405 2.353 30 10 IEEE C#CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 729333236 SNHYGGJXKJSUGK-AWEZNQCLSA-N 436.584 2.083 30 10 IEEE COC(=O)C1=C(C(=O)c2cc(F)ccc2F)[C@H](c2cnn3ccccc23)NC(=S)N1 729663158 PJBNSAYJDQCQHD-INIZCTEOSA-N 428.420 2.441 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(CCCc2ccccc2)cc1 737305292 GMKSKQPQGOJTFM-GHVJWSGMSA-N 446.507 2.443 30 10 IEEE C=CCOCC(=O)OC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 747118702 PCRAORCSXMJPEF-UHFFFAOYSA-N 446.363 2.433 30 10 IEEE C#CCN(C(=O)NCCCc1ccc(Br)cc1OC)[C@@H]1CCS(=O)(=O)C1 753382453 KSCOOFZSEGIMMM-MRXNPFEDSA-N 443.363 2.222 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 757989235 ZRMYOADOPMBVKA-IBGZPJMESA-N 435.509 2.361 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1)c1cc[nH]n1 772150235 SDWKLWUIXSWXFN-UHFFFAOYSA-N 426.473 2.123 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n([C@@H]3CCOc4ccccc43)c2=O)c1 776755436 APAOQAOHBKHFQS-LJQANCHMSA-N 430.489 2.020 30 10 IEEE CC1(C#N)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CC1 780779439 DRHHODSMHPBTJP-LJQANCHMSA-N 433.306 2.368 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(CO)CC2(CCC2)C1 790090808 PJYDPZXKYVTREZ-UHFFFAOYSA-N 433.574 2.345 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790248197 RYAPBOJFPMZTDE-JPYJTQIMSA-N 435.565 2.430 30 10 IEEE C=CC[C@]1(C(=O)NC2CCN(CC(=O)NCCC)CC2)CCCN1C(=O)OC(C)(C)C 790289897 IETBQAOHPWIQFG-HSZRJFAPSA-N 436.597 2.439 30 10 IEEE C=CC[C@@]1(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)CCCN1C(=O)OC(C)(C)C 791717715 LHFBLAMBHGWAHO-NRFANRHFSA-N 438.521 2.241 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 804455060 CIDAVJLBQOBUAD-NFBKMPQASA-N 426.538 2.192 30 10 IEEE Cc1ccoc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 813564300 YASJKWKIZLBHFO-IPQBESIJSA-N 443.573 2.094 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)cc1 1129735965 WTBFRPRXOOPVEI-UHFFFAOYSA-N 445.541 2.332 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1 1136334944 KMIKHGJJLMMWQB-SFHVURJKSA-N 444.532 2.304 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CCOCC2)c1 1147811571 VAVFWLLJJKQIAE-UHFFFAOYSA-N 432.480 2.446 30 10 IEEE Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)no1 1178460642 OHZACECNFPLNBE-GDBMZVCRSA-N 428.518 2.413 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1192468892 RPIGTCRMLGHWGP-PKOBYXMFSA-N 442.603 2.429 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 1211784380 HCIGMDGZOCDNSA-DLBZAZTESA-N 425.482 2.064 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)c1ccccc1 1230489470 QNLKDXXEZQSGAM-GOSISDBHSA-N 442.497 2.204 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286391259 DGRMAEKOMQGPGU-QZTJIDSGSA-N 448.976 2.305 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCCS(C)(=O)=O 1286520414 JFRILPJNXGRANS-OAQYLSRUSA-N 432.546 2.389 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1286560697 HVMCQNPOFOLXSV-UYAOXDASSA-N 441.580 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)(F)F)C1 1286804154 JKTYLIPGYSQZEY-CQSZACIVSA-N 439.438 2.414 30 10 IEEE Cc1cc(C)n(CCCn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)n1 1290666461 HPQJLVBKROIWLS-SFHVURJKSA-N 426.550 2.266 30 10 IEEE N#Cc1ccc(NCC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc1 1292605476 FHZOFXZXIKKTQN-UHFFFAOYSA-N 439.950 2.003 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1296968607 WICWDPIIQOXOLG-UWFXLKAESA-N 447.580 2.379 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1298019614 HOYGNVAKJPMOMM-HXUWFJFHSA-N 446.515 2.134 30 10 IEEE COC[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300977199 CALRDRYQFUEOHL-CYBMUJFWSA-N 439.545 2.451 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301134882 BQTVEBOAEJFOCE-UHFFFAOYSA-N 443.596 2.454 30 10 IEEE C=CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC)C1CC1 1301322180 FPAKQNLZEQLHIW-UHFFFAOYSA-N 435.532 2.356 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccc(C)s1 1301492437 INKZOKRXNWRQAB-UHFFFAOYSA-N 449.544 2.229 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCCC)C1 1301553048 CVLSKSGBLXMHDS-HXUWFJFHSA-N 435.532 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301577239 GIZZCLHDGWAPIW-GOSISDBHSA-N 430.578 2.006 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1303497329 RJIAYQHSAISVJP-FGZHOGPDSA-N 448.543 2.163 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1Cc1ccc(C#N)o1 1303805245 YKKPJKSVHHRYBM-KBPBESRZSA-N 444.517 2.304 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)c1 1309585711 VSOFBHNTZUOSHP-LEWJYISDSA-N 428.510 2.123 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N=C2NS(=O)(=O)c3ccccc32)CC1 1318203218 ZDWOEDGSRGYGGE-UHFFFAOYSA-N 440.525 2.216 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358898396 RLMRRMQZTLRPRG-QZTJIDSGSA-N 431.562 2.047 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1358966866 YKJOQDUWCNJERV-KRWDZBQOSA-N 433.603 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCOCC1 1358971227 MNCWVJJRDYQYBP-UHFFFAOYSA-N 445.365 2.221 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(=O)NCC)CCC1 1358979642 SVOLJNUPUGAGFE-FQEVSTJZSA-N 433.512 2.170 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc(COC)n1 1358985657 DJCKTSJADJQENH-JOCHJYFZSA-N 443.573 2.433 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1358991236 SGPJMGSANCRPOR-DEOSSOPVSA-N 440.551 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)c1ccccc1 1358993993 BGHDPUWKNYEKQT-IBGZPJMESA-N 426.542 2.109 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cn2ccsc2n1 1359019510 WYQSFXTWPCQEMX-NRFANRHFSA-N 444.561 2.162 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1359106267 ZMZICRVLKXMUDR-QMHWCDLVSA-N 449.596 2.261 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359192615 KCAPTSDJKDJASL-CVDCTZTESA-N 433.597 2.442 30 10 IEEE C=CCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290568 HXUBHJNVRHTGTL-JOCHJYFZSA-N 427.553 2.238 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1359299394 DFZXOMNVTPLQKD-RTBURBONSA-N 425.533 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359331596 DINNVPUNQIMIPY-LJQANCHMSA-N 448.593 2.331 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)s1 1445137413 ZCJIKIIFRHXNBK-UHFFFAOYSA-N 425.507 2.235 30 10 IEEE Cc1ccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1452732788 FXBRSQGQIUTEMH-JOCHJYFZSA-N 426.542 2.191 30 10 IEEE O=C(NCCS(=O)(=O)C(F)(F)F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 1453256479 WUNOWISJWXINKQ-UHFFFAOYSA-N 434.293 2.090 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1456064025 NZPQPYCFSSGXIM-QZTJIDSGSA-N 429.521 2.382 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(I)ccc1N1CCOCC1 1460071400 JFLYGTPHVRDBLN-ZBFHGGJFSA-N 428.270 2.201 30 10 IEEE C#CC1(O)CN(C(=O)CCN(c2ccc(OC)cc2)S(=O)(=O)c2cccc(Cl)c2)C1 1472246727 PYWHTIGWORMUEM-UHFFFAOYSA-N 448.928 2.141 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ncc3Br)CC2)nc1 1472501944 NIJTXAWZPBRXIR-UHFFFAOYSA-N 431.250 2.418 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN([C@@H](C)CC)CC3)nnc12 1472562336 BPNYSXZASBNREO-INIZCTEOSA-N 440.573 2.265 30 10 IEEE CC(C)(C)[C@@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1473828309 ZDTYWWHXSFVOMY-UZLBHIALSA-N 441.576 2.203 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1474956009 HEPGPWFRHQUNOZ-HNAYVOBHSA-N 436.553 2.007 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Br)cc1 1477567916 JVTGVVLCVKOMGL-UHFFFAOYSA-N 438.322 2.165 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1501406656 DFDAQTUFQLDNMI-HKARXFIJSA-N 438.532 2.068 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCn2cc(CO)nn2)c1 1504338920 CQBSPMFGHONFRD-JOCHJYFZSA-N 436.520 2.258 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1505041771 YQIFWJMYYSMNSX-XXBNENTESA-N 441.532 2.112 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc3ccccc3[nH]2)CC1 1507719798 QHRMEBBHJLZRAO-LJQANCHMSA-N 436.560 2.481 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507722142 PXTIXHUGMBVYMU-UHFFFAOYSA-N 426.540 2.208 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1508040848 CEENSMGJUSMDPG-WJOKGBTCSA-N 442.545 2.144 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1508080442 OQGAYASDKOGDKA-IBGZPJMESA-N 438.580 2.130 30 10 IEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1508447805 LBAIZLSYNRHKMO-HZPDHXFCSA-N 426.521 2.426 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1511538309 NDRRGBMMHQDQKN-FMQUCBEESA-N 441.561 2.397 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cc(F)cc(F)c2)n1 1511716764 GXQRKMRYHKQQSD-IBGZPJMESA-N 427.459 2.389 30 10 IEEE CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1517153067 GKFARIZWHKBBPC-UHFFFAOYSA-N 430.415 2.339 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1519356638 OMZYMHFHYGQZBT-OFNKIYASSA-N 441.532 2.254 30 10 IEEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1519743845 DUWJKPAADHNOHL-LSDHHAIUSA-N 434.591 2.038 30 10 IEEE C[C@@H](C(=O)NCCSCc1ccccc1C#N)N1CCN(C(=O)OC(C)(C)C)CC1=O 1525251295 QPOKKLSMPGBDJE-INIZCTEOSA-N 446.573 2.375 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1529107495 QJGICWAIXPKIFB-LJQANCHMSA-N 444.532 2.362 30 10 IEEE C=C(CO)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1538443633 ZPDGTKWKYXIHPB-UHFFFAOYSA-N 446.369 2.106 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1538719818 YKDPYZKGOHSVCM-UHFFFAOYSA-N 442.516 2.304 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCCS(=O)(=O)c1ccccc1 1539264306 ZIAUHCZDTMPUOI-FQEVSTJZSA-N 426.542 2.457 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2CC)CC1 1539466783 GVOXQUOGNAIVCD-UHFFFAOYSA-N 448.571 2.091 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539504740 NLLBARHIMGXKPF-IBGZPJMESA-N 447.630 2.392 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)C(C)(C)C 1539569900 LDCLGVZEZJSLII-XGHQBKJUSA-N 438.594 2.208 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1539627322 IXCFBHDLKPIHJQ-LNLFQRSKSA-N 433.553 2.046 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(N)=O)cc1 1540086864 FGPGXRIWFTZMMY-UHFFFAOYSA-N 425.518 2.431 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCS(C)(=O)=O)C1 1541989147 HDVPFHLVNPCBKY-FQEVSTJZSA-N 431.518 2.239 30 10 IEEE Cc1c(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@@H](C)C#N)cnn1C 1542110241 FBQNJDLHPSVBAA-INIZCTEOSA-N 434.552 2.138 30 10 IEEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542714612 GWKUXUIEPKFFII-LSGABVIPSA-N 435.463 2.222 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(N(C)C)c1 1548137413 DITZNEGZGNAOOK-UHFFFAOYSA-N 433.516 2.464 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1554607361 GRQOQHLEUIUKGT-AEFFLSMTSA-N 438.532 2.259 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](F)(C#N)C1 1555816697 ROEQDULHZLDSLS-IBGZPJMESA-N 432.481 2.073 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCN(c3nc[nH]n3)CC2)c1 1557256613 HNLKCTRGUYPPHR-UHFFFAOYSA-N 447.524 2.370 30 10 IEEE C#CC[C@H](CCOC)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1557770693 RPZBSUCOURPYCP-GOSISDBHSA-N 440.357 2.250 30 10 IEEE C=CCC1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CCOCC1 1558065976 LRYBQEFLXCFASP-KSZLIROESA-N 449.548 2.400 30 10 IEEE CN(C)c1ccc([S@](C)(=O)=NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1587031241 FZFSQORLNCVZIC-LJAQVGFWSA-N 448.570 2.255 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1587759485 VFXBITFKSRWPDQ-IBGZPJMESA-N 435.507 2.370 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1588039770 FBKOPHBTTRCVGZ-CQSZACIVSA-N 426.329 2.373 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSc1ccc(C)cc1 1588083301 DRWBMQMXNYXETJ-KRWDZBQOSA-N 431.587 2.062 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCC[C@@H]1C 1588109596 JOQWQGYTXUEVIY-FQEVSTJZSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C 1588229071 QMLSBSBMJCZKRQ-CRAIPNDOSA-N 429.546 2.052 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1589215886 HFVXJGLFAPGNMA-CDHQVMDDSA-N 434.587 2.142 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1589484642 UVXKIMNALNJTFS-PZJWPPBQSA-N 430.597 2.127 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1594202388 OBGUEMTXIYONBQ-UHFFFAOYSA-N 431.562 2.392 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1595497371 ZKMDQCXOFQIGTB-FOIQADDNSA-N 441.532 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CCC)C1 1595529603 AMDDRMMGSJXZCZ-HXUWFJFHSA-N 435.532 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595530005 PGMPPXJJLTYYFT-OAHLLOKOSA-N 429.525 2.069 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cccc(F)c1 1595760560 QATJXNGNZCPPSK-SFHVURJKSA-N 449.552 2.498 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)O1 1613679989 LMUAPVCHANLAKX-YCRNBWNJSA-N 438.532 2.116 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)CCS2(=O)=O 1618589890 QAXGJAHSQDGBAN-RCDNUKIMSA-N 443.443 2.072 30 10 IEEE CCOC(=O)C1=C(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)NC(=O)N[C@H]1c1ccco1 1620623711 FJVCIPNHTSEUKF-CTNGQTDRSA-N 436.468 2.396 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 1627061284 DWUFHEZERQJXMI-IAGOWNOFSA-N 435.546 2.020 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1632701024 ASBOUVDEECMPPI-UHFFFAOYSA-N 433.490 2.374 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](Cc2ccccc2)c2ccccc2)CC1 1632966183 KFTLXOWXUUBIPU-JOCHJYFZSA-N 425.554 2.015 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 1633615699 CIYLRMIEUFHNSG-ZFWWWQNUSA-N 447.479 2.320 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1640155791 NGZHPSZNKMNICC-INIZCTEOSA-N 445.321 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1 1642807683 NIZOKOAVBGLTIC-UHFFFAOYSA-N 440.544 2.479 30 10 IEEE CCOC(=O)c1nnn(C2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1C(F)F 1647985393 AVUYSXJQRHEYTQ-ZUOKHONESA-N 440.495 2.472 30 10 IEEE COC(=O)[C@@]1(O)CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1650951461 FGKZWPHYGXPCHP-JOCHJYFZSA-N 439.493 2.039 30 10 IEEE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 1653515158 DQWCXHQVHAXPAB-UHFFFAOYSA-N 436.541 2.326 30 10 IEEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCn2ncc(I)c2C1 1654886038 WQBAIZJQGMXRJO-UHFFFAOYSA-N 441.660 2.467 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 1657643056 CYEBGPSJEMAUKW-FQEVSTJZSA-N 432.402 2.325 30 10 IEEE Cc1nn(C)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 1662103991 AUMMRVPNDIZNTB-GHMZBOCLSA-N 427.303 2.372 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1670227149 BCLVFROIXMVETM-SCLBCKFNSA-N 430.461 2.438 30 10 IEEE C=C(C)COCCNC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1670367688 CICOVBIXEDERFD-QGZVFWFLSA-N 426.558 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1689850963 JYIQVQJLCBQHCH-BZSNNMDCSA-N 445.564 2.304 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1689988331 MXWHXPMRBABTSH-RXVVDRJESA-N 448.976 2.343 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1689993614 IGMXRJYOQQHLLQ-REWPJTCUSA-N 444.601 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1690048199 FSEXJMXIQGPGDE-MBSDFSHPSA-N 445.564 2.210 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1C 1690096709 YZMDWZLWIQBHMM-HKUYNNGSSA-N 446.573 2.107 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC[C@H]2C)n1 1690109374 PFRSDILXVBBKEY-MOPGFXCFSA-N 437.548 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc3nsnc3c2)CC1 1690146081 FJMPIXZFNOLZEV-UHFFFAOYSA-N 437.573 2.495 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690177573 ZLPLJJOLAGEESL-GOSISDBHSA-N 448.614 2.257 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C(=O)NC 1690305851 JWYXPABNZGPUIW-MRXNPFEDSA-N 429.521 2.127 30 10 IEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCOCC2)CC1 1690380416 NPMSDCKYICDBLH-UHFFFAOYSA-N 425.533 2.305 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C#N)C1 1690472610 RGURWIRMWFWJOZ-MRXNPFEDSA-N 429.550 2.242 30 10 IEEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690485596 XVFZZONSYJYPEG-GOSISDBHSA-N 439.626 2.464 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690506156 FGDHIYUUMBUYTH-UHFFFAOYSA-N 438.536 2.255 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccc(F)c(F)c1 1690993178 GPIBFTWHFVIVHJ-STQMWFEESA-N 426.493 2.005 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1692666245 WPNRHAYDJXWJNY-LPHOPBHVSA-N 442.589 2.349 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)OC 1694446347 FTVJDANQORMAGG-SFHVURJKSA-N 426.521 2.246 30 10 IEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCCCC1 1697809966 FQFCJYXASQRUFM-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1698023982 DTRRHHNQBDLHCD-SIKLNZKXSA-N 437.592 2.458 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)C1 1698299033 YBRVROHZCPXKFI-INIZCTEOSA-N 439.488 2.112 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCC2)nnc1N(CCO)Cc1ccccc1 1698520184 DPDLFNVFVDFUQE-LSDHQDQOSA-N 436.516 2.071 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1705570171 KTVLIUDREKVFCT-IBGZPJMESA-N 448.564 2.450 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCCC1=O 1705624261 VKSDKEBYEUSMGP-UHFFFAOYSA-N 430.940 2.482 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705666541 BDFLLTOACIIXPH-UHOSZYNNSA-N 430.578 2.444 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705719715 IRSYMZDJTAMRLZ-NRFANRHFSA-N 434.562 2.118 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC[C@H]2C)C1 1705919112 XMRDCXFWWMRLGE-RTBURBONSA-N 427.549 2.456 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2occc2C)C1 1705922093 FYGCWFNNGDYKTB-KRWDZBQOSA-N 437.504 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705931634 WIBZGPYBLOYQQW-PXNSSMCTSA-N 440.573 2.090 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1706746771 DPDYTKRIUJQESL-NVXWUHKLSA-N 444.540 2.291 30 10 IEEE CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1710142146 CBHJMERDJMQCSD-YLJYHZDGSA-N 438.598 2.321 30 10 IEEE CCNC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)c1 1710325766 BJWJXGLZFOCKCH-LJQANCHMSA-N 431.500 2.175 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCN2C 1712565777 HJPOJSWBPRGQRF-XLIONFOSSA-N 440.548 2.162 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1712641539 LLHVATOBPAQBQR-XWFZLUIHSA-N 442.520 2.042 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1722311552 XPUOSHADBIVNBV-UHFFFAOYSA-N 443.573 2.211 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](CCC)OC 1722376420 OCLNLWVEOUYCMM-GOSISDBHSA-N 442.589 2.435 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722381735 AZGLPKVLYWBRRB-PKTZIBPZSA-N 433.556 2.318 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[S@](=O)CC 1722383778 RLHWZKCYGVOVHI-WJOKGBTCSA-N 447.605 2.234 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncccc2C)CC1 1722435911 RCDLGPMBYZGTHO-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2F)CC1 1722446113 NEJCEUOXRQZGMY-UHFFFAOYSA-N 435.507 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CC=CCO2)CC1 1722449206 OCEHUNSFXJAWDI-OAQYLSRUSA-N 449.555 2.188 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722462703 RBHOZZOZFTZLOE-SFHVURJKSA-N 441.601 2.495 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722536021 BMBNYJMXTSJRRR-ZWKOTPCHSA-N 426.583 2.168 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1722659374 UNKIAXRJSOZLOQ-WOJBJXKFSA-N 446.573 2.178 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1722720183 HRSQEXREMAKJTP-IAGOWNOFSA-N 448.568 2.095 30 10 IEEE CC(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1723240792 SCXMDHMAQRGLMK-ALARNLJQSA-N 446.577 2.234 30 10 IEEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1723391772 CUNVVCDTPGRHBB-UHFFFAOYSA-N 437.548 2.437 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCCNS(C)(=O)=O 1729988732 NSOZVCSCGVLVIC-CYBMUJFWSA-N 440.957 2.142 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(F)c1F 1730759030 GIWXRVMPTSAZFN-UHFFFAOYSA-N 432.475 2.401 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1730875707 LYLSACSDYALQTL-DZGCQCFKSA-N 440.426 2.193 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O 1740549251 DQLVVDGDAUUJKB-HJPURHCSSA-N 444.580 2.329 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1740553024 QJEIKSXNPWCZNN-FUHWJXTLSA-N 440.573 2.387 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCC[C@H](C)C1 1740659437 YYHCQESYFHLMOC-IBGZPJMESA-N 438.601 2.464 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)C(C)(C)C1 1740719391 FFUVWCCWABRTGA-INIZCTEOSA-N 433.603 2.497 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740942055 ZYKVSDSSYZHXPF-UYAOXDASSA-N 442.564 2.089 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1741030508 HWIYVQDSSGYDDY-VXKWHMMOSA-N 436.560 2.441 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1741304410 CSNTYSFVMBOLIN-CVDCTZTESA-N 439.564 2.172 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCSC1 1743754897 XQYHBBBYGVUUCU-IIBYNOLFSA-N 427.578 2.253 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1748751567 IWCHVFFWGVIACF-VQTJNVASSA-N 439.541 2.043 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@@H](C)CC 1748788389 BNQPZDWLPUOMBL-ZWKOTPCHSA-N 434.585 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 1748875172 LTUFLDFLAZBKGC-UHFFFAOYSA-N 435.532 2.021 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)(F)F 1748913064 PCTKYWRSGMETDU-UHFFFAOYSA-N 433.232 2.174 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1749009925 XNQSXQOKIYADOK-LJQANCHMSA-N 437.592 2.359 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1749034275 YMPGUURQDXUQTM-RTBURBONSA-N 425.558 2.391 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1749566387 ZQQDPGMQFPPZCM-UHFFFAOYSA-N 447.547 2.358 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1749760229 GHTROSFIGODUCH-KRWDZBQOSA-N 429.594 2.437 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749761578 CCBDYFJHOJFQMY-UHFFFAOYSA-N 440.552 2.439 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccsc1 1750021517 BVXPEEAZJRWUEM-QFBILLFUSA-N 430.578 2.483 30 10 IEEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)c1 1751647015 DXHOLNIKPLXWHK-OAQYLSRUSA-N 446.577 2.235 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760157392 NTDVCJIJOHVZNM-UHFFFAOYSA-N 427.940 2.189 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1760188197 NHSJYIGIMUHSLE-QZTJIDSGSA-N 438.594 2.352 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760275001 XZBATPSRORGRAG-MRXNPFEDSA-N 435.557 2.369 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760428568 YVYGUSVVCRYCGP-CQSZACIVSA-N 436.500 2.430 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1760464813 PWSZNNSVQCAAON-IEBWSBKVSA-N 433.578 2.114 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1760523892 KHSCMOKSTBTXBD-VPTFNQTCSA-N 431.562 2.196 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1761359930 CMAUSYQUBFTKDK-NQIIRXRSSA-N 446.559 2.478 30 10 IEEE CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1762363745 KAOQNRAAAJGMDT-BRWVUGGUSA-N 434.541 2.204 30 10 IEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)CC1 1762541851 AIXZIRYLABAAPA-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)o1 1762729344 HAVFTWQZOIZKHT-UHFFFAOYSA-N 449.515 2.019 30 10 IEEE CN(Cc1ccsc1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1767159388 LVEMBBQKHKJZJK-MRCUWXFGSA-N 449.540 2.488 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(Cl)cccc1OC 1771223353 VOADKIINNMAOEO-CABCVRRESA-N 435.912 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)OC1(C)CC2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772794160 BKAVRZGIFJIKQO-UHFFFAOYSA-N 428.441 2.299 30 10 IEEE Cc1cc(C)n(C[C@H](C)C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1851497914 UHHXURDSQCESBQ-HTAPYJJXSA-N 426.517 2.331 30 10 IEEE C=CCN(C(=O)CCCN1CCS(=O)(=O)CC1)c1nc(-c2ccccc2)ncc1OC 1851585679 LVYBPLKWEZBVJW-UHFFFAOYSA-N 444.557 2.182 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)NCCn3ncc4c(N5CCCCC5)ncnc43)cnc21 1852294655 LLFWTJSRGHFWAM-UHFFFAOYSA-N 429.488 2.005 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 1852451428 DRUYFGFGIMJQDM-SFTDATJTSA-N 438.528 2.012 30 10 IEEE CN(C)C(=O)CO[C@@H](COc1ccc(C#N)cc1)CN1CCN(c2ccc(F)cc2)CC1 1852514867 BXSNPRQRCYZDGN-HSZRJFAPSA-N 440.519 2.372 30 10 IEEE CN1CCN(C(=O)c2ccccc2C(=O)Nc2ncc(Br)cc2C#N)CC1 1852934622 UKFKKPSGBZSOSM-UHFFFAOYSA-N 428.290 2.356 30 10 IEEE Cc1ccc(C)n1[C@H](CC(=O)N1CC[C@]2(C1)C(=O)N(C)C(=O)N2C)c1ccc(C#N)cc1 1853039916 FHVUHPLLUOYFMM-YKSBVNFPSA-N 433.512 2.451 30 10 IEEE CN(C)C=NC(=S)N(C(=O)c1ccc(N2CCOCC2)nn1)c1ccc(Cl)cc1 1853117378 NASKOKPMZXSLEQ-UHFFFAOYSA-N 432.937 2.488 30 10 IEEE CCCN1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C(=O)C1 1854523628 MEEIKKIEBBIQPF-SFTDATJTSA-N 428.558 2.033 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@H]1CCN(C)C1=O 1857225465 FIKGCQDNLSHILD-LPHOPBHVSA-N 428.920 2.113 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cn(CC)c(C(=O)O)cc3=O)cc21 1857888220 IOYFYUPVQBEKGI-CYBMUJFWSA-N 426.425 2.128 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccccc2)cc1 1858961665 KIYNGHQZEWOYRH-UHFFFAOYSA-N 430.482 2.210 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H]1CCCN(C)C1 1862005364 ZQVIJOSTHHRDNK-UNMCSNQZSA-N 427.545 2.182 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862594978 XNXHIEWSMJGXID-SFHVURJKSA-N 425.397 2.015 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 1866580263 URVHXVSLTUNSTJ-FXAWDEMLSA-N 443.500 2.188 30 10 IEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1870147010 SMKSQPIDERRHIM-UHFFFAOYSA-N 432.444 2.051 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCC(O)CC1 1870652068 QSQOLCSWOIKHFC-UHFFFAOYSA-N 427.501 2.017 30 10 IEEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCC[C@H](C)C3)ncnc21 1873596377 UELXOHCKXDSQKK-AWEZNQCLSA-N 442.545 2.279 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc(OC)cc3)CC2)CC1 1890219040 SQVINWBISZMYSV-UHFFFAOYSA-N 427.589 2.276 30 10 IEEE Cc1nc(I)c(I)n1C[C@@H](C#N)NC1CC1 1936399914 QBNIWORAAMLVLR-MRVPVSSYSA-N 442.042 2.045 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 1984912759 ITQHNMZUFFLQTF-DBWCEAHUSA-N 427.542 2.380 30 10 IEEE C#C[C@]1(Oc2ncnc(I)c2N)CCCN(C(=O)OC(C)(C)C)C1 2012584203 LBPYOLGRDZBKML-INIZCTEOSA-N 444.273 2.445 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C1 2020899655 KDHJUSHIXRSPBT-CQSZACIVSA-N 441.525 2.474 30 10 IEEE C#CCN(C(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2022865951 PLIYBNCVTXMTFP-RDJZCZTQSA-N 439.553 2.122 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060638398 WNMQSAJIICZOKS-SJORKVTESA-N 432.326 2.295 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2063134652 YKGNYYOHAHVMFA-LLVKDONJSA-N 434.312 2.114 30 10 IEEE C#CCn1ncc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c(Br)c1=O 2162383337 LMPBZDUPGGKBBI-CYBMUJFWSA-N 441.326 2.077 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H]3CCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2243428080 FZUZIZBTMHMXPL-GOSISDBHSA-N 439.321 2.455 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2243438354 JGFYGXHHZKVVLA-UHFFFAOYSA-N 446.400 2.159 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2247816881 HBFZMWVOTJNPKF-UHFFFAOYSA-N 437.371 2.347 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247883084 YZLFWYZGHYYDIC-AWEZNQCLSA-N 440.371 2.177 30 10 IEEE Cc1cc(S(=O)(=O)N(CCN)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2247950776 GCNUMIMFEAFFEW-UHFFFAOYSA-N 430.379 2.444 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]2COC[C@H]21 2255362668 HRPOZFHLLHCNDZ-JKSUJKDBSA-N 431.342 2.205 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256617096 GSNHFJDGBXHQPL-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2266715824 GKMDMARJPWZELS-UHFFFAOYSA-N 442.325 2.021 30 10 IEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267013217 GWOWGDNQPLMQRL-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267179768 UYDWBRIQPPJWMX-GASCZTMLSA-N 448.373 2.235 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267180239 YVNNVIBKVTXDIP-GASCZTMLSA-N 448.373 2.189 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525340 CPCMOILMAZIHNE-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267592899 HNCXRNAXMFBUNJ-GOSISDBHSA-N 446.353 2.352 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2267601115 QBEUCOVICSGMJU-QGZVFWFLSA-N 445.369 2.454 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267608531 GMNTYTJQDNBSSA-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)n1C 2315627162 KEYMHKSWXPWRRA-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319680987 VSHKHHGHDCAHGP-SPLOXXLWSA-N 439.362 2.230 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2319943806 KCKFAPHULOVJRS-HZMVEIRTSA-N 435.374 2.279 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)n1C 2337400515 VGABVPOHKVBMBT-LJQANCHMSA-N 438.381 2.422 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1CC2=NO 2381951781 LIJULQCZONNJGJ-ZRGWGRIASA-N 433.530 2.391 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCSc2ccc(Br)cc2)CC1 64699070 HQXZIYIDEBRXOI-UHFFFAOYSA-N 426.380 2.378 30 10 IEEE O=C(O)CN1C(=O)C(=O)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 103121899 QHXDWCUTRDCIPI-CFBLSMTOSA-N 427.325 2.009 30 10 IEEE Cn1c(=O)c2c(=O)c3c([nH]c2n(C)c1=O)NC1=C(C(=O)c2ccccc21)[C@H]3c1ccccc1 104764544 RPGOZUKSLIRVJH-OAHLLOKOSA-N 438.443 2.091 30 10 IEEE Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NCC(=O)NC(=O)NCC(F)(F)F 110177792 PCSYWWOBFZHLQY-UHFFFAOYSA-N 432.296 2.226 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCNc3ccc(-c4ccccc4)nn3)cc2C1=O 443849578 KQUYJRAPTIAELW-UHFFFAOYSA-N 427.464 2.768 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 460694483 WVIGUXQTTINNCX-WMZOPIPTSA-N 426.521 2.246 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 460932346 NRYJMDNKSUZCJY-FQEVSTJZSA-N 445.589 2.422 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C#N)o2)c1=O 478756061 PVBZQCJRZFIDGN-INIZCTEOSA-N 445.500 2.171 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 479914836 PISKHTILQDLPAM-AWEZNQCLSA-N 426.330 2.213 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 480217490 BHKYFNIMTHHAOR-CYBMUJFWSA-N 426.473 2.430 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 482221530 FERHQTYTKHINSV-WMZOPIPTSA-N 442.541 2.019 30 10 IEEE Cc1ncc(S(=O)(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)cc1C#N 489811978 LXMDBCQEVXVANR-UHFFFAOYSA-N 447.318 2.426 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2C1=O 508175922 OBCOGPWBMKENFQ-UHFFFAOYSA-N 432.480 2.109 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 508897676 YOXWRWVWVPPFFI-UHFFFAOYSA-N 433.472 2.321 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 508898287 PSXJUGNBPNZNOO-FQEVSTJZSA-N 434.968 2.437 30 10 IEEE COCCN(Cc1noc(-c2ccc(OC)cc2)n1)S(=O)(=O)c1ccc(C#N)cc1 518252334 WZBJTSDKRWZJDE-UHFFFAOYSA-N 428.470 2.454 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 518815980 FTKLIJMDPIZHEJ-HNNXBMFYSA-N 426.410 2.349 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1S(=O)(=O)NCC#N 521750659 BJURWMNNUVWSFB-UHFFFAOYSA-N 426.542 2.323 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 532622688 CVAVOKXWBJBALG-DOTOQJQBSA-N 435.546 2.195 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3ccc(-n4ccnc4C)cc3)CC2)o1 541954922 AQQGVFLCQGYARN-MRXNPFEDSA-N 433.516 2.348 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 545545237 GWLAMPSOZZIONS-GOSISDBHSA-N 439.493 2.373 30 10 IEEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546216771 HSMIYUZTJRXYEQ-MRXNPFEDSA-N 442.545 2.384 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 549248836 ZEZNTYXXXCFFRN-ZWKOTPCHSA-N 430.484 2.482 30 10 IEEE N#Cc1cc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)ccc1Cl 557849410 POPKNVNZRUONBY-LSDHHAIUSA-N 431.901 2.409 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(OC)c2OC2CCCC2)CC1 570423944 FYZUCNVDYUKVMC-UHFFFAOYSA-N 430.549 2.146 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1 574328665 WDTSBNPTYPCMQV-LJQANCHMSA-N 427.530 2.342 30 10 IEEE COc1ccc(-c2nnc(S(=O)(=O)Cc3ccnc(C#N)c3)n2C[C@H]2CCCO2)cc1 586752032 ZCEYVOWFKGSJGS-LJQANCHMSA-N 439.497 2.373 30 10 IEEE Cc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC[C@H]2CCCO2)c1 586860785 QNKOEOBABWWLLL-LJQANCHMSA-N 425.460 2.496 30 10 IEEE CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CC2)c1=O 604533092 FNRSQRMKGSPOQK-UHFFFAOYSA-N 439.493 2.424 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 608474400 FGOULBDMEHPGAQ-INIZCTEOSA-N 449.463 2.079 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H]4CCCC[C@@H]43)nnc12 613786632 FCGWLVSZPFKKGC-ROUUACIJSA-N 439.541 2.492 30 10 IEEE CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732696906 SABKFHFSGSQAKZ-KRWDZBQOSA-N 449.577 2.320 30 10 IEEE COC(=O)c1cc(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)o1 733830730 LSCJLWKUQURMOO-INIZCTEOSA-N 425.397 2.195 30 10 IEEE CCOC(=O)Cc1ccccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742676770 KDKVDRRSYCPOHN-AWEZNQCLSA-N 429.498 2.248 30 10 IEEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1C#N 746773724 YGCMUSLXXKLLMW-UHFFFAOYSA-N 442.541 2.400 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C3CC3)CCC2)cn1 751687479 HMPOJGWVXYOXHT-GOSISDBHSA-N 446.621 2.483 30 10 IEEE Cc1c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cccc1S(N)(=O)=O 754324023 DLPMDQQEFKDARQ-CQSZACIVSA-N 433.461 2.274 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2ccc(-n3cncn3)cc2)c1 754772296 AYOLMYRKGMVFGE-UHFFFAOYSA-N 432.259 2.020 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)ccc2OC(F)F)c1=O 758076891 XJGSHNAQJFTNHH-UHFFFAOYSA-N 428.460 2.325 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCCc2c(C)nn(C)c2C)C1=O 774583091 QCFMRWABCBRTIP-NWIBBQCFSA-N 442.589 2.043 30 10 IEEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)c1ccc(C3(C#N)CC3)cc1)CC2 777316819 HGBBQNIUHKQZBJ-UHFFFAOYSA-N 441.509 2.292 30 10 IEEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C(=O)C(C)C)n(C4CC4)c3=O)n2)c1 781137190 QNSMPDPHHIFYCR-UHFFFAOYSA-N 433.537 2.170 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O)NCC(F)(F)F 782885490 UKUFTOUBIYQECQ-ZDUSSCGKSA-N 446.426 2.104 30 10 IEEE CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784971431 CEIAZBAMKHUAPD-JJXNMMKVSA-N 432.546 2.253 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](OC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 786472652 JQVFXLYVFMSDCZ-DJIMGWMZSA-N 442.472 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C1 786567960 FYNPJZKQHRBEBN-AWEZNQCLSA-N 437.443 2.316 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)n1 788811567 ZCFWPUYMROTJNM-UHFFFAOYSA-N 444.442 2.296 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)N(CC#N)c3ccccc3)CC(=O)N2C(C)(C)C)cn1 796422712 FIFJKAYRNIMSRL-RXVVDRJESA-N 437.500 2.208 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1C#N 804081285 AFPMWGIGRIVPLS-UHFFFAOYSA-N 428.876 2.290 30 10 IEEE COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 805348617 PVTPTJFEVMXKSX-MRVPVSSYSA-N 434.392 2.470 30 10 IEEE C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CCO2 807247883 GMDLISBJELXXRT-QRQCRPRQSA-N 425.510 2.309 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 807707070 JEJYGEKTOISXQM-XEZPLFJOSA-N 447.479 2.069 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 811523050 AALYHCZUXQPQOI-QGZVFWFLSA-N 435.343 2.478 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812387336 KIPITIRRXFVQCY-AEFFLSMTSA-N 432.521 2.056 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 813848717 ASJKBRWJYVBUHG-MOXGXCLJSA-N 429.542 2.378 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)c1 1084029247 CEPRHJYEQIYUDN-UHFFFAOYSA-N 440.533 2.243 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)cc1 1084467458 SFVFLAMFADAUNI-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](COc3ccccc3)C2)s1 1138206192 GUROWDLJBAUXBR-QGZVFWFLSA-N 436.555 2.061 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC(NC(=O)N(C)C)CC2)nnc1-c1ccco1 1158868656 VBBHZZCHZSBMLU-UHFFFAOYSA-N 432.550 2.469 30 10 IEEE C#CCn1cc(CNS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 1192327825 NWJOCLQTZBNTJI-HXUWFJFHSA-N 430.530 2.127 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)nn1 1216746809 WPQDCRVFFAPZCE-UHFFFAOYSA-N 446.467 2.461 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCCC1 1253169143 JPHLVBOAKVRWMI-UHFFFAOYSA-N 430.534 2.053 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(c3ncc(I)cn3)CC2)CC1 1254934692 AHEYKYRDQAPWQN-CTYIDZIISA-N 439.301 2.105 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286350549 GNRSBNNPLSEDIY-UHFFFAOYSA-N 446.559 2.057 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1286402546 FYFGXFFKCGJIOL-UUOWRZLLSA-N 438.528 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286425832 YWLDKPVCIJUQHC-LJQANCHMSA-N 432.503 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)CN2CCCC2)CC1 1286489635 AIDZKICQYVQEHN-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286508390 LGYUCAKSZUFQFD-LJQANCHMSA-N 439.585 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1286549126 DOCSHZXSTAZIED-HKUYNNGSSA-N 432.546 2.170 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1286697735 DUQUOHOGWVRMIU-KRWDZBQOSA-N 445.593 2.309 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1286727075 LTTOQDHVHBHTTD-LJQANCHMSA-N 449.577 2.069 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](F)COC)C1 1286803401 HCGBPRMTYMVAOU-SJORKVTESA-N 438.525 2.114 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1286806420 VDDFQJODZUJDPV-YADHBBJMSA-N 436.560 2.445 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286823848 QSDVNECSTJQVPO-LSDHHAIUSA-N 431.628 2.059 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccccc2)C1 1288976689 CGEFFLLXIOHTHZ-OAQYLSRUSA-N 439.545 2.382 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)OC 1293990309 AKBXZVMXELNVOC-IEBWSBKVSA-N 440.504 2.185 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C(C)C 1300285159 XKMXYMMHMHMXRA-HRAATJIYSA-N 433.578 2.060 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1300309445 TVIDIJFMMBNWEU-IEZWGBDMSA-N 433.553 2.080 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300421847 SZSVRVCPEKHJLD-UHFFFAOYSA-N 436.516 2.100 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1OCC(F)F 1300430990 CACUAAVLBHBNDE-NRFANRHFSA-N 435.475 2.475 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1300603325 ZGQDOAZMFGZULO-ZDUSSCGKSA-N 429.468 2.415 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC2(O)CC2)CC1 1300690934 LQNDBTDABQLWNX-UHFFFAOYSA-N 439.560 2.413 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(CCOC)CC2)CC1 1300727030 UNOPHIXTYMAUCL-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1300805539 GVNOXJKSYUMTLO-KSFYIVLOSA-N 444.605 2.079 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1300830035 CHXGTEDLHZUKBI-RYUDHWBXSA-N 438.417 2.129 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300891957 PEXLAXFEDYGKGI-ZJOUEHCJSA-N 445.589 2.253 30 10 IEEE C=C(Cl)Cn1c(N(C)CCC(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301055491 LPEXUDDAAXRSQU-OKILXGFUSA-N 426.949 2.374 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301260005 RTFYAFMRAMCKGA-QGZVFWFLSA-N 439.607 2.240 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CCC)C1 1301492949 SBYJIXJXCOHEGW-QGZVFWFLSA-N 427.505 2.024 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCNS(C)(=O)=O 1301952209 IGYNDBUJFDLIAG-QGZVFWFLSA-N 430.578 2.283 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1304002330 PJSDERHKYWHRKC-OPOADAIRSA-N 439.578 2.247 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2n1 1304007166 RNPNHCBTIGHRGU-QRVBRYPASA-N 444.557 2.271 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)OC 1304139718 VGHCRRKQWDOSBU-UZUQRXQVSA-N 442.516 2.391 30 10 IEEE COc1cc(NC(=O)CNC(=O)Nc2ccc(Br)c(C#N)n2)cc(OC)c1 1311071487 DERVDENBSGGIET-UHFFFAOYSA-N 434.250 2.493 30 10 IEEE C=C(Br)CNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1311757209 NJLHZCAVZRJPOE-FHSNZYRGSA-N 446.342 2.383 30 10 IEEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1=O 1313916365 AONKVHQHNNGWRQ-QGZVFWFLSA-N 430.459 2.300 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccncc3)n1CCCCCCO)C2 1316530817 KLFGLNKXWKRPGX-UHFFFAOYSA-N 433.516 2.352 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961807 FLNCYCOQOGOPNL-WOJBJXKFSA-N 445.564 2.224 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358962462 QHSQVTOQYPBMHZ-FQEVSTJZSA-N 427.574 2.309 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359083168 CUWUCVAQWFWSHN-KBPBESRZSA-N 433.372 2.442 30 10 IEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359118432 IYYLBLGERXGIBN-QGZVFWFLSA-N 439.476 2.196 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C(=O)NC 1359133713 YDEKEJSYZVHRDA-LPHOPBHVSA-N 429.521 2.202 30 10 IEEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1359274033 XVCRODOMHORXGM-INIZCTEOSA-N 428.562 2.363 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@H]1C 1359292628 UHXJDHWDKLLCDT-IAGOWNOFSA-N 429.521 2.344 30 10 IEEE CN1CCN(CCCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1440645169 KXFIIJHKGVSGPA-NRFANRHFSA-N 441.576 2.146 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)s1 1447805939 SPFNBDPUPWADBR-MLGOLLRUSA-N 440.509 2.355 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1456064031 NZPQPYCFSSGXIM-ZWKOTPCHSA-N 429.521 2.382 30 10 IEEE C=CCN(C(=O)CCn1nnc2ccccc2c1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1458998520 MGJDCIDALJXMNH-NRFANRHFSA-N 434.496 2.371 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)s1 1465388411 KLQDQEPWFRQJIW-KRWDZBQOSA-N 447.582 2.176 30 10 IEEE C#CCN(CC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1469827899 DDTVPLAYMMHYPG-IAGOWNOFSA-N 439.553 2.245 30 10 IEEE COc1cc(CNC(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)ccc1C#N 1470081817 FHKDVERXPYYQRI-HXUWFJFHSA-N 429.498 2.253 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(NC(=O)NC3CCCCC3)CC2)c1 1473230938 WISNLOUKZZCFRN-UHFFFAOYSA-N 425.533 2.412 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@]2(CCOC2)O1 1494251873 DFBBIZPGULGTNL-HXOBKFHXSA-N 438.532 2.069 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1497446328 DYHMUHYUPRZDFU-HNNXBMFYSA-N 426.521 2.258 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1504787267 UJVQNWKSXOFTGM-AUSIDOKSSA-N 441.532 2.397 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2ccncc2Cl)cc1 1505319935 OZMRJZFMNCMIIV-UHFFFAOYSA-N 437.891 2.152 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccccc2)CC1 1507513925 LKNNMWMSWNYFOO-FQEVSTJZSA-N 437.592 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507656037 FASKPCMLPZCMGN-DENIHFKCSA-N 425.558 2.435 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2CC(F)(F)C2)n1 1507717178 QAASMRZVMUGHCS-UHFFFAOYSA-N 442.474 2.263 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2ccc(C)n(C)c2=O)n1 1507717676 XRXIFXVNJLWGRG-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCCCOC)c2)CC1 1507733232 QHXUBXWEDSXKGS-JOCHJYFZSA-N 439.560 2.348 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1 1507747772 YHKDOBMFVWICRQ-HNNXBMFYSA-N 425.624 2.437 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1507955391 XXIFEWKOXQFNSF-HRAATJIYSA-N 434.537 2.383 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1508001248 NMSZYBVGRZCJIW-JOCHJYFZSA-N 439.541 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2ccc(F)cc2)C1 1508110111 YCXMKVJMMJRJTG-SFHVURJKSA-N 442.495 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508135900 CHUCDTLUIAMQNT-KRWDZBQOSA-N 433.578 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1508148358 RUQQUCMZDVNOGN-VQTJNVASSA-N 446.573 2.178 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1520531123 RJUKLMAIFWURKF-HNNXBMFYSA-N 434.591 2.040 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)CCO1 1521120963 DOVBZZYBPDQKMH-SJLPKXTDSA-N 444.923 2.017 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1525734226 BSSDOGFJFPLCBF-GDBMZVCRSA-N 448.449 2.020 30 10 IEEE Cc1cc(C(=O)NCc2nn(C)cc2I)nn1-c1cccc(C#N)c1 1525972535 VDSFGVMEFZJXTO-UHFFFAOYSA-N 446.252 2.321 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C 1530251839 CAEXRIHPFALRLX-QFIPXVFZSA-N 442.541 2.110 30 10 IEEE CS(=O)(=O)c1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc([N+](=O)[O-])c1 1533085205 YCQJPWHJXZPZIZ-UHFFFAOYSA-N 429.454 2.306 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3cc(C#N)ccn3)CC2)cc1OC 1538826568 XCOYOQBXKNHDHN-UHFFFAOYSA-N 444.513 2.034 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCC(=O)N2)c1 1539046656 XRGRONVAACKSSR-LJQANCHMSA-N 448.552 2.265 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1539067899 MBEYLGWAENIXLM-HNNXBMFYSA-N 435.550 2.069 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)OC(C)(C)C 1539299140 FQBZEKRITVVJBC-HSZRJFAPSA-N 445.564 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539318277 OWXJXZOLVSGKTB-VQTJNVASSA-N 429.590 2.213 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)CC1 1539489335 LLEDDWGGNCSPIS-UHFFFAOYSA-N 430.622 2.335 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN2CCCO)CC1 1539898794 YRWCMQAMFSISGE-OAQYLSRUSA-N 427.597 2.389 30 10 IEEE C[C@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)C1 1539936071 ZJBFXSHPEWHSPT-JOCHJYFZSA-N 446.573 2.074 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540036496 OHWQGNNWAKIWIH-IBGZPJMESA-N 440.548 2.122 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 1540444294 KEALJWGFBUTGKK-SBUREZEXSA-N 442.516 2.268 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)CCOC1 1541733672 UGICDLMANNQQIA-MIZPHKNDSA-N 446.596 2.168 30 10 IEEE Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978030 FLDQJGSBDZBLLH-VGVBMJIYSA-N 428.489 2.203 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)nc(Br)c1 1544336863 IJJTYSQKCDNHCM-UHFFFAOYSA-N 446.143 2.295 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cccc(C)n1 1545928631 FUJZGDANGPLTLG-LJQANCHMSA-N 425.537 2.262 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1=O 1554353843 JCWNLZJWHSSQRQ-BEFAXECRSA-N 434.422 2.063 30 10 IEEE CNC(=O)NC1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1557021749 PJXNOXVQMARLEV-LJQANCHMSA-N 441.532 2.313 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)CC1 1558073582 VTEQDUFLKRLOLM-UHFFFAOYSA-N 432.354 2.434 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN[C@@H](CO)c1ccccc1I 1560211767 SHAOOYJIUGJLCR-PBHICJAKSA-N 438.265 2.226 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H](C#N)C2CCCC2)C1=O 1583395631 QKJBIMSZYGUQHA-BEFAXECRSA-N 433.306 2.415 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1583695741 NMQMARXRUPUEKX-HXUWFJFHSA-N 430.574 2.433 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1587567071 AUYSWYMZHFACBM-NTKDMRAZSA-N 439.560 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1COCCO1 1587667165 DDMKBEQXDDAJMX-YOEHRIQHSA-N 435.322 2.493 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CC)C2)c1 1587689574 LYWJIUITZJUWIX-IBGZPJMESA-N 446.559 2.077 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1588069482 OVIONCROUZMMRO-SFHVURJKSA-N 444.557 2.293 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCCC1 1588646232 IAODCVTYMRYVQB-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(COC)CC1 1595773123 QXPQEUGBWKLWJI-UHFFFAOYSA-N 439.969 2.457 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1615884754 GDNSNAFVYQQRLO-PZJWPPBQSA-N 429.613 2.013 30 10 IEEE C#CCN(C(=O)c1nc(O)nc(O)c1OC)[C@@H]1CCOc2ccc(Br)cc21 1617600105 INRWENVWKFNQIW-GFCCVEGCSA-N 434.246 2.258 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCCOC[C@H]2CCOC2)cc1 1620352101 LOJWABSNVYEKFY-HXUWFJFHSA-N 441.532 2.399 30 10 IEEE CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1622396098 SGJUAGDVLRPQNF-GOSISDBHSA-N 428.558 2.084 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1624249221 PPLPZCBDBIMVHF-SGXKBVARSA-N 445.541 2.026 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3COc4ccccc4[C@H]3O)C2)C1 1628990303 LCCLKAGOINTRFU-QNFKRNARSA-N 427.501 2.384 30 10 IEEE CN(C)CCSc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1 1629506390 JFGOXRKQURNGRM-OAHLLOKOSA-N 439.607 2.311 30 10 IEEE CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1630397148 DPCZISSRMXOYIB-PKOBYXMFSA-N 440.500 2.045 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC)CCNC(=O)OC(C)(C)C)ccc1F 1632991699 BMQBATDTRIAZFW-UHFFFAOYSA-N 429.514 2.277 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ccccc1-n1ncc(C#N)c1N 1635047146 BGHHCFDFZMJFRT-OAHLLOKOSA-N 426.477 2.291 30 10 IEEE O=C(CSCc1nc(O)c2c(-c3ccccc3)csc2n1)N[C@@H]1CCN(O)C1=O 1636352220 DUOHCTJUKHLZDG-CYBMUJFWSA-N 430.511 2.403 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CCOCC1 1636967344 DJSLGYFXWMNIQW-UHFFFAOYSA-N 443.548 2.464 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1641932710 CVVWVEBWPOAFLY-XMSQKQJNSA-N 425.554 2.500 30 10 IEEE CNCCCc1[nH]nc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)c1C#N 1648433034 RWDOQHKMNOQXMK-UHFFFAOYSA-N 429.546 2.467 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1OC 1651778333 KSZCAXOOWQQHKI-FUKPKEADSA-N 445.541 2.395 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1)[C@H]1CCCO1 1655040443 IGGIVJAWZWWVIE-HZPDHXFCSA-N 430.320 2.393 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C(C)(C)C(N)=O)CC1 1672209335 AWOUMEPDIRFPRH-UHFFFAOYSA-N 425.327 2.427 30 10 IEEE C#Cc1ccc(NC(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c(Cl)c1 1673381655 PVGVNGWYAPZLFC-LBPRGKRZSA-N 434.905 2.378 30 10 IEEE C#CCN(C)CCCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1685716090 UANHPXHNLTWXMU-UHFFFAOYSA-N 434.606 2.003 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1689850966 JYIQVQJLCBQHCH-RCCFBDPRSA-N 445.564 2.304 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1689884056 HHKHBMHZFQXDMN-SFHVURJKSA-N 428.562 2.148 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1689965723 BYWCBJVIMZQDMG-GOSISDBHSA-N 426.521 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1690015108 AOKWKJUIHCXFNM-YADHBBJMSA-N 446.555 2.148 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCCO2)n1 1690109408 QGIWQPWPCZSNBK-WOJBJXKFSA-N 428.537 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCOC)CC1 1690150617 ODUBNTCHYKEURX-UHFFFAOYSA-N 434.544 2.283 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690167598 LYNWRKGNBXHYHI-SFHVURJKSA-N 438.557 2.093 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccco2)CC1 1690252775 ISQRDNQURTYBRD-FXAWDEMLSA-N 429.521 2.351 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1690615787 RWHIRWWRGAPLJE-YLJYHZDGSA-N 438.536 2.111 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)nc32)C1 1690685007 TZYYOKCUSQXDHB-ZWKOTPCHSA-N 427.553 2.280 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1690686613 QSZHTGVQYZGGJR-HCLVMJGWSA-N 445.539 2.405 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CCCO)CC3)n2Cc2ccc(C#N)o2)CCOC1 1696047815 BBFXYBXKOQGOMN-JOCHJYFZSA-N 429.521 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1705503343 VAQWTIBJUBDFPI-MGPUTAFESA-N 448.365 2.144 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2(O)CCSC2)c1 1705504858 FHXCLUBJPYZHCE-HSZRJFAPSA-N 448.552 2.264 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1705539243 NADXPJQIUSWRHJ-QFIPXVFZSA-N 443.573 2.368 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCCCC3)nc2)CC1 1705649642 DCEPSKUCJBEMDK-UHFFFAOYSA-N 435.576 2.240 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1705669485 NUOJTAHEVPYEAL-HUVFLSCGSA-N 445.608 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705699625 JJSHEKFWIZFHGN-IKVWTGGYSA-N 444.580 2.096 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705729489 ZPAUXCYWRDWGLW-MRXNPFEDSA-N 444.502 2.180 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1705789200 BYYKIZINUNSLRM-OAHLLOKOSA-N 435.532 2.106 30 10 IEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCOC2)C1 1705831926 IAONURNYEVVLRV-NRFANRHFSA-N 431.562 2.479 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1706019746 DEWIFLCHSYHOHE-QZTJIDSGSA-N 430.459 2.346 30 10 IEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1706557849 VGXPZIAIKVCMSD-QHCPKHFHSA-N 440.548 2.065 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOCC2(C)C)CCOC1 1706660360 ICECZCHIWOYEGO-PGRDOPGGSA-N 434.585 2.168 30 10 IEEE Cc1occc1CN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1707016723 DOXNBQIBROMZOI-KDDVOAFDSA-N 426.477 2.194 30 10 IEEE CCN(CCn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(=O)OC(C)(C)C 1710146245 STGOTPMLGFGZAC-UHFFFAOYSA-N 427.509 2.379 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCSC1 1711045612 HTFXSPPHGYOYMJ-SJORKVTESA-N 447.586 2.105 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1722285461 WDQRLKBEQIYGQJ-IEZWGBDMSA-N 445.951 2.371 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722330013 PEJHGLYNOQAIGL-UHFFFAOYSA-N 440.573 2.480 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1722361738 OXBLTWJIZJBIAL-APWZRJJASA-N 439.541 2.002 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CCC)OC 1722393433 BPDCURNMZIUSFR-GOSISDBHSA-N 432.528 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722394441 XWNBAFGSXHYQBJ-QFIPXVFZSA-N 432.572 2.351 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cc(C)nc(N3CCCC3)c2)n1 1722426793 BXCAJJNJLZUWSE-UHFFFAOYSA-N 448.575 2.421 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1722435362 HEKPMQHZQJSKPZ-GOSISDBHSA-N 438.576 2.200 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722534538 QYAPUXZDLSTTFY-RBBKRZOGSA-N 440.592 2.404 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722538771 VXWZVLPHHLUIBV-GOSISDBHSA-N 443.508 2.352 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722579758 SQZFEQSEOUILOA-FQEVSTJZSA-N 430.597 2.160 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1722861935 FAQMCZJKQBXTGK-JTQLQIEISA-N 434.277 2.014 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1723777456 FLZUXVMRFZRXAW-HNNXBMFYSA-N 428.518 2.044 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1728631498 OSKKRLHGQVPVAQ-QFIPXVFZSA-N 426.544 2.200 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1729525965 BXGOLYRQORLWQD-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2CCOC2)c1 1730995294 VEMKIAJLCIACDL-QRWLVFNGSA-N 433.509 2.217 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCCN(c2nc(C)ns2)CC1 1740584068 CAAIXRGSJOUIGM-MRXNPFEDSA-N 433.582 2.292 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNc1ccccn1 1740608778 HUCHUNLFICFFHI-UHFFFAOYSA-N 428.500 2.159 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1740802219 JRYCUWOTYPNLMH-MRXNPFEDSA-N 438.985 2.276 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C)c2)CC1 1740840410 YEABCOFFRDCFDC-FQEVSTJZSA-N 445.589 2.370 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740970030 YTUUYWRLDQDSOZ-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)C(C)(C)C1 1740992349 FULVMCBILIUBNU-INIZCTEOSA-N 439.607 2.096 30 10 IEEE Cc1cccc(N(C)c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1742140657 JHRBYSIKXXXHNF-ZZEZOPTASA-N 437.504 2.019 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1748950120 FDZDZEABZNTVNP-NZQKXSOJSA-N 426.517 2.378 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2ccsc2)nc1 1748961223 YCCFLCPUKVOAGS-LJQANCHMSA-N 436.541 2.487 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCCCC2)CC1 1748999366 RRDVETXCPLAGGX-UHFFFAOYSA-N 427.524 2.447 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](COC)C1 1749039243 RDCXPARFWKCZPR-SFHVURJKSA-N 441.605 2.291 30 10 IEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOCC1 1749225634 HSPIVKXORBYJHT-UHFFFAOYSA-N 438.532 2.494 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)CC1 1749343110 WYOUJUFJAJYDNZ-KRWDZBQOSA-N 447.561 2.043 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749357434 QEXNYQODCBHFFI-INIZCTEOSA-N 435.536 2.190 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1751089402 HAMXBXMIBXKAFJ-INIZCTEOSA-N 448.535 2.224 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1C(F)(F)C12CCC2 1751206279 IFRSNWQVIAAITJ-HIFRSBDPSA-N 442.536 2.454 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@]2(CCOC2)O1 1752311391 ABECYQXNDSBNKK-UZUQRXQVSA-N 438.532 2.069 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@H](C(F)(F)F)O1 1752321345 NFSMZOQSCYZJQT-WMLDXEAASA-N 439.438 2.372 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1760096664 QFRPWGMELXDSMX-MRXNPFEDSA-N 427.472 2.012 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(CN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1760186635 PPNQZDOLWIHYMZ-NRFANRHFSA-N 443.617 2.357 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760218728 LXHSPFGTRYXGRB-OAQYLSRUSA-N 449.555 2.150 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccccc2)N(C)C)CC1 1760261906 XDGMXOJMAISQSZ-HSZRJFAPSA-N 446.603 2.198 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760282191 XLZVNEMBNXPQBE-FQEVSTJZSA-N 446.665 2.143 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1760282230 XYMMPGPWDHZDKC-CQSZACIVSA-N 425.509 2.032 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760445528 MVAKGWXWJMCHQU-SFHVURJKSA-N 440.548 2.407 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1760526958 KDKZADWYNIPBGG-UHFFFAOYSA-N 432.569 2.274 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760527239 PRYLWZSMKCOFSV-XLIONFOSSA-N 425.533 2.206 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1760832562 AGAALUPGSASEGT-UHFFFAOYSA-N 432.475 2.403 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1761282001 AKWBMUAAMDDGFM-GAJHUEQPSA-N 444.580 2.363 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1761362530 CVODQRKUDRMKCB-IAGOWNOFSA-N 441.561 2.359 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763957426 KNVWUWSJRCHCCB-HYHOCUEZSA-N 436.516 2.477 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1764449288 YEBAMCYNRQKFJB-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE CN(OC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1767442803 NHLVCKPKNOKPJA-UHFFFAOYSA-N 433.534 2.474 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCC#N)CC2CC2)C1=O 1767509113 XBSYSVYTQINKLZ-QHCPKHFHSA-N 433.516 2.337 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1768207129 BCTGCHJPWIKCOG-MRXNPFEDSA-N 447.561 2.167 30 10 IEEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768695970 HDUMUAKQRBEPAM-FQEVSTJZSA-N 443.554 2.064 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H](C)C#N)CC1=O 1769876613 BIIZKURHOMKEED-HUUCEWRRSA-N 431.928 2.084 30 10 IEEE COCc1nocc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1770885062 DSGGXBPCSZUAQS-JFIYKMOQSA-N 430.509 2.108 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1cnn(C)c1 1771100305 MQOKIQLQWIYGSD-OAQYLSRUSA-N 435.532 2.479 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1771188236 UTMYZOASNKUVLR-ZWCUEREDSA-N 433.553 2.470 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)c1 1849850232 HLXBQKWOLHWPST-OAQYLSRUSA-N 442.516 2.199 30 10 IEEE C=CCN(C(=O)c1nnn(-c2cc(F)cc(F)c2)c1-c1ccccn1)[C@H]1CCN(C)C1=O 1850862471 KDMLAVMQTDKYDX-SFHVURJKSA-N 438.438 2.466 30 10 IEEE CCc1ccc(CN2C[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851525448 KIWWHOVEJLTMRZ-HNNXBMFYSA-N 445.463 2.468 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1864947036 OVBRUKPGELDWMF-GOSISDBHSA-N 448.439 2.186 30 10 IEEE Cc1cc(C)c(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)c(C)c1 1870100172 VRLAHHJXAFLDQM-UHFFFAOYSA-N 427.468 2.472 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(I)cnn2C)C1 2020891019 OLKIIMGDMVYBIT-UHFFFAOYSA-N 446.289 2.254 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2c(N)cccc2Br)CCN1Cc1ccccc1 2101816276 BCYLTJXSZNVZIZ-HNNXBMFYSA-N 435.347 2.430 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2174787276 SAGHBPFXUZZRRH-OALUTQOASA-N 429.498 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CCO 2224096056 RRXLLDFZRRRUHK-QGZVFWFLSA-N 433.358 2.189 30 10 IEEE Cn1cc(I)c([C@@H](O)C(=O)C#Cc2ccccc2Br)n1 2235715368 ANIRURUAXCRPEO-AWEZNQCLSA-N 445.054 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247835698 PAAFRNRWFIRTKO-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247934745 FHDFZIYSXOWNOJ-FQEVSTJZSA-N 440.371 2.053 30 10 IEEE CN(OCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)C(=O)OC(C)(C)C 2248401813 OKEJEEWWKRUHGY-UHFFFAOYSA-N 441.721 2.193 30 10 IEEE C#CCN(CC(=O)N(C)C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2249711683 HZKUJCDVEZLJLE-XMMPIXPASA-N 429.561 2.342 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@H]32)C1 2255192442 KQTOCPJFLWZORV-DSUJRMEUSA-N 449.548 2.044 30 10 IEEE Cc1cnc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255608316 JXWBYCGCMFNZAF-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 2255698957 UIXDNOSEAOIGIJ-UHFFFAOYSA-N 433.358 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255705656 YLDQLDSPXPJLNL-IAOVAPTHSA-N 431.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255815757 SNVQVKKAZKSRJM-UHFFFAOYSA-N 432.286 2.001 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2255864701 YUXOHGJUJFASBI-CBBWQLFWSA-N 438.330 2.438 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2258961765 YAPTXPQHHVWGNF-VVBPWWLESA-N 434.342 2.200 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014120 UCPRDUAKPRBNHR-JSGCOSHPSA-N 444.259 2.498 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267129688 DYNLJVWIYMQULA-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267264801 WVJPJYUKTBBCSO-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2267520551 OALFTVOMOAVJIV-FPTDNZKUSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)O1 2268636376 CGJXHMCZKRINES-HUUCEWRRSA-N 447.341 2.392 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268641029 KZOJZBIKYZFLHE-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268644154 NRCIPGQXGLDFMO-GJZGRUSLSA-N 447.341 2.344 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269075412 MPEZCCUHOKACOE-KXBFYZLASA-N 440.305 2.169 30 10 IEEE CC1(C)OB(c2cccc(F)c2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2270601326 UPQLUQKQYUHAGX-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H](C)CN1C(=O)OC(C)(C)C 2337201978 BYSDTJHQQMYFME-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE Cn1nc(I)cc1[C@@H](O)[C@H](N)C#Cc1cccc(Br)c1 2360925478 IQSCZIHGFZLMLX-RISCZKNCSA-N 446.086 2.200 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3cccnc3)n2)c1OC 59310370 UZSMGUNBSYUCMB-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE COc1cc(OC)c([C@@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72445507 FMRGUWRFSQBZGW-DYVFJYSZSA-N 439.472 2.010 30 10 IEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1 110950619 HJVPSICUSZKHHW-HQMFNGAOSA-N 444.509 2.005 30 10 IEEE O=C(Cc1ccc(F)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 263625886 OHRGGHIRDVXVKE-CRAIPNDOSA-N 448.497 2.399 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1 462384152 NVXLVUATZIFREE-UHFFFAOYSA-N 428.923 2.484 30 10 IEEE CSc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2=O)cc1 465183606 JJIJAJOLYURYFT-HZPDHXFCSA-N 436.541 2.160 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3c4ccccc4C[C@@H]3O)nnc12 473271041 GHHLCHBJULDYJX-ICSRJNTNSA-N 447.520 2.097 30 10 IEEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)c2)cc1 476807005 PYWPEMIKTHIADJ-OAQYLSRUSA-N 448.479 2.185 30 10 IEEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)nnc1-c1ccco1 481889309 GQAJASPUXXBPEL-MRXNPFEDSA-N 445.545 2.102 30 10 IEEE CN1C(=O)C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H]1c1ccc(Cl)cc1 507963832 IDXMDZCSIHIPLN-KDOFPFPSSA-N 434.861 2.370 30 10 IEEE C=CCc1cc(CNC(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc(OC)c1OC 508545919 HAZNKKOBORHXFH-MRXNPFEDSA-N 432.477 2.245 30 10 IEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccn(C)c2=O)CC1 508746045 IYTOFLACIYGSTH-INIZCTEOSA-N 439.495 2.164 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1C#N 511083560 UFEUYCARZWCOHP-UHFFFAOYSA-N 448.935 2.452 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 532914381 AXUOYZATGQRPFA-GSVIPDFHSA-N 432.590 2.312 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)CC1 535908171 DBXMHRVLNYNXEK-INIZCTEOSA-N 432.527 2.013 30 10 IEEE C=CCn1c(Cc2noc([C@H](C)Oc3ccc(OC)cc3)n2)nnc1N1CCOCC1 547066890 VGIJPYLSVXJBLM-HNNXBMFYSA-N 426.477 2.423 30 10 IEEE N#Cc1cc(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cnc1C(F)(F)F 552346652 YRUFNKFPERFPIU-NSHDSACASA-N 444.460 2.474 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1C#N 559031320 SRVDYMWIGYNNPL-UHFFFAOYSA-N 438.431 2.427 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)cc1 561398632 ZYVLFVNUKKOAIJ-RBUKOAKNSA-N 431.562 2.447 30 10 IEEE CCc1nc([C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 609550534 FFPKWOVIIOTZEP-AWEZNQCLSA-N 433.559 2.354 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 619851676 ZECUCWMCSZQLAM-OYHNWAKOSA-N 437.479 2.296 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCN)cc1 703978925 VIKMSMLPZGAHKP-UHFFFAOYSA-N 425.510 2.061 30 10 IEEE Cc1cccc(NC(=O)[C@H]2CCCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)n1 726586365 WPPRBACDUFWWKX-FQEVSTJZSA-N 446.511 2.334 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H](C)c1cccs1 727417597 NRACCDXZVIGOAM-AWEZNQCLSA-N 427.551 2.449 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 727418144 NVMYKDFOOVDOPY-UHFFFAOYSA-N 431.517 2.106 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCC(=O)OCC)CC2)ccc1F 749081558 CCULSYYVHYVAKF-UHFFFAOYSA-N 426.510 2.486 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 770866846 ALWMBXWQLGTWDP-YKUKLWAGSA-N 445.466 2.308 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2OCC#N)C1=O 771424725 GGWLGGQFOLLRRT-QFIPXVFZSA-N 440.431 2.451 30 10 IEEE COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC(=O)c1ccc(C2(C#N)CC2)cc1 777339712 OBGZXFDUBRMOIV-UHFFFAOYSA-N 441.509 2.048 30 10 IEEE N#C[C@H](C(=O)/C=C/c1ccncn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 781450817 VGYYLNHHRVCTHD-IHHMQQGQSA-N 439.497 2.012 30 10 IEEE Cc1nc(-c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)s2)cs1 785568606 WNNHEDQWHLCCFJ-UHFFFAOYSA-N 426.527 2.291 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 802555980 HUFKGIWSLPCCIZ-SFHVURJKSA-N 440.504 2.011 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)CC1 809569334 XWFJCOALJCPZTE-VIHQBZHPSA-N 447.624 2.448 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(-c3ccc(F)cc3)c2=O)cn1 839204112 ZCLARZMFAZPIRU-UHFFFAOYSA-N 430.464 2.158 30 10 IEEE COc1ccccc1[C@@H](O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 916695150 YKIIWSBLBONYHW-FCFMXISVSA-N 446.529 2.363 30 10 IEEE Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 916897320 GYHYUNQDDCELFO-FQEVSTJZSA-N 441.509 2.286 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)C1=O 1132154439 BXDCQNQQKQJKNK-UHFFFAOYSA-N 440.268 2.427 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CCO2 1133450160 PMUNHTHVPJNKFC-XAXZJEFASA-N 445.903 2.182 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)c1 1136781982 FLFSHRIZVYAWHY-UHFFFAOYSA-N 447.314 2.447 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc(Br)cc1I 1141463833 USKYXYRATOVBPT-JTQLQIEISA-N 439.047 2.164 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)C(F)(F)F 1152760735 YZCCGNZOSRAZRZ-CQSZACIVSA-N 448.467 2.415 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccncc3NC(=O)C(F)(F)F)C2=O)cc1 1154116595 GMKSMEZDIIJTAP-HNNXBMFYSA-N 431.374 2.379 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2CCS(=O)(=O)c1ccc(C#N)cn1 1198186165 ROXAIHGCCHSDCQ-LAUBAEHRSA-N 434.562 2.496 30 10 IEEE COc1ncc(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)cc1C#N 1209050646 GSFMYGZJQASKDY-DLBZAZTESA-N 441.492 2.220 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC1 1248692506 XKHBYKFPMNFLDQ-UHFFFAOYSA-N 444.333 2.306 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C1=O 1270494116 VOBYVYQWRYTRKZ-RTBURBONSA-N 426.517 2.208 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1286391451 IORCGQUCJWXHKA-GUDVDZBRSA-N 431.537 2.029 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286409084 OLHSPRGQAUMXDP-IBGZPJMESA-N 430.487 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1N1CCOCC1 1286431850 ZFJQJWXKOSULTG-NRFANRHFSA-N 434.544 2.263 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncc(F)cn2)CC1 1286562617 AROBUOIKOOPBSM-LPHOPBHVSA-N 431.516 2.052 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCOC1 1286567850 WXEWYNYUTWQWJN-MDZRGWNJSA-N 431.562 2.476 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286570989 GMBWRVHYCCMHOY-MRXNPFEDSA-N 427.475 2.344 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1286722735 RLRQGGWVDLJIHQ-KRWDZBQOSA-N 438.532 2.257 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1288089893 XWZTYEYSUWYFIF-OAHLLOKOSA-N 433.557 2.460 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2ccc(C#N)o2)n1 1290650210 YTXIRALWIKJVLJ-MRXNPFEDSA-N 435.410 2.420 30 10 IEEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1292680133 FFXWKKDOMRNXAG-UHFFFAOYSA-N 449.515 2.195 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3nnc(S)n3C3CC3)CC2)c1 1292889496 CPGFTHUOBFIZPL-UHFFFAOYSA-N 449.533 2.358 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1295046348 DIYXHPLALLXLHM-IXDOHACOSA-N 428.537 2.469 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300361271 DBMLURCIRJLUQD-VQTJNVASSA-N 430.597 2.012 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H]1CCOC1 1300387102 ZADQXLSFPVGBJX-QGZVFWFLSA-N 430.578 2.433 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 1300665643 MNTHLZIOWQCXQI-FQEVSTJZSA-N 446.573 2.252 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1300789297 FWQZPSIPTDCICX-XMMPIXPASA-N 436.560 2.110 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CCOC)CC1 1301071919 ASVGSOMWURQDRA-OAQYLSRUSA-N 434.562 2.293 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301251744 HRAIFHNVECBSKS-KRWDZBQOSA-N 428.541 2.060 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1)C1CC1 1301331427 KBLBZUVWINGWHB-UHFFFAOYSA-N 449.602 2.249 30 10 IEEE C=CCn1c(N(C)CCCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301472574 FEHJTKIDLNLBMY-GASCZTMLSA-N 427.571 2.106 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301578356 YFHVNSLXPDZTIS-KRWDZBQOSA-N 449.552 2.038 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2C(=O)OC(C)(C)C)c1 1301727457 UIABMQSMAKOKKM-UHFFFAOYSA-N 428.510 2.483 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccc(OC)c3)CC2)c1 1301875911 GUBQOFQZNWFKMU-UHFFFAOYSA-N 429.542 2.118 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)c1ccccc1 1302097605 MUTOSIHPMOGTBS-NLWGTHIKSA-N 428.537 2.256 30 10 IEEE Cc1ccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1304362886 OCEUUIVWVKVZEE-VGOFRKELSA-N 428.537 2.113 30 10 IEEE C#C[C@@H](NC(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccc(Br)cc1 1310355544 MSVAEPGACGPKTC-GOSISDBHSA-N 432.322 2.474 30 10 IEEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1314458592 FFGYNOCHPDKECB-OAQYLSRUSA-N 429.546 2.258 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1314646912 GPPMSLZXHLBFPC-GCJKJVERSA-N 443.502 2.398 30 10 IEEE CN(CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1314866268 DTMOXFDPZIHFQC-MRXNPFEDSA-N 442.417 2.219 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1314963911 KCORWSOFIMPIRL-HNNXBMFYSA-N 438.488 2.197 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@@H]2CCOC2)c1 1316530546 WRFBGJNFJKNTFU-INIZCTEOSA-N 439.438 2.231 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 1325913517 ITJZCYSTYLFOHG-LBPRGKRZSA-N 426.844 2.441 30 10 IEEE Cc1ccc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC[C@@H]2CCCO2)c1 1338528435 KJGLEOBDFOBMIE-SFHVURJKSA-O 448.590 2.446 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@H]1C 1358972694 OZORJGYREJANOR-YWZLYKJASA-N 429.318 2.320 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccnc2OCC)CC1 1359037478 KUVJYHMEUZTMQO-UHFFFAOYSA-N 437.573 2.231 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1359275586 YCSRGOCGHHMAMP-FQEVSTJZSA-N 439.560 2.396 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359343053 LDBZNRXGPGIEII-IBGZPJMESA-N 445.637 2.374 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC3(n4cc(Br)cn4)CC3)cc2C1=O 1439131053 AVTVGVNKFCVXIU-UHFFFAOYSA-N 429.274 2.347 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1446434870 BNCCFTWFKWJMOR-MUKJZIRRSA-N 446.592 2.483 30 10 IEEE Cc1noc(Cc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)n1 1456564978 HQKJIWUBXLUWLG-UHFFFAOYSA-N 425.470 2.036 30 10 IEEE CN(CCCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(=O)c1ccncc1 1464062562 APRSPSCQOATPHX-UHFFFAOYSA-N 445.527 2.322 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2nc(O)[nH]c2c1 1464530379 JRRCCCHAOQWUCN-UHFFFAOYSA-N 434.518 2.292 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)CCc2c(C)[nH]c(-c3ccncc3)nc2=O)c1OC 1464942884 NUSGZOIWNQYVON-SFHVURJKSA-N 433.468 2.471 30 10 IEEE C#CCN1CCCN(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)CC1 1465278491 MHFPXGXAODFOJH-UHFFFAOYSA-N 436.541 2.241 30 10 IEEE N#Cc1ccc(F)c(C(=O)NC[C@@H](O)COc2ccc(I)cc2)c1 1465914021 ZPTCIYRRRCACEN-CYBMUJFWSA-N 440.212 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)nn2)CC1 1471132008 HSDRMHNSJJNZLP-QZTJIDSGSA-N 443.552 2.053 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3snc(C)c3C#N)CC1)CCS2 1471533358 UIZKIXSQIWOEKV-CHWWFWEZSA-N 449.602 2.372 30 10 IEEE C#CCN(CC(=O)N=[S@](C)(=O)N(C)C)[C@@H]1CCOc2ccc(Br)cc21 1473167794 KTIQVJFBFCCATQ-BZQUYTCOSA-N 428.352 2.309 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CCS1 1499680536 HXFLVRZFEDCVCZ-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccn(C)n2)cc1OC 1502816228 HWBTXWUTSWVQQN-GOSISDBHSA-N 437.504 2.057 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC[C@H]1C 1504517177 DBDXEXVKQXWQBM-HCLVMJGWSA-N 441.532 2.395 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1507564633 UDQAHHPQUHZAHB-GOSISDBHSA-N 444.557 2.391 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1507630245 VODPMFCMHFIVBF-SFHVURJKSA-N 439.516 2.349 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507630275 VZAMLIRKIRVVCV-KNQAVFIVSA-N 439.541 2.013 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1507648259 XUHHDVTZWDGDKC-QRWLVFNGSA-N 429.318 2.320 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc2c1OCO2 1507703566 BKBGNJOXJVHCNR-QHCPKHFHSA-N 442.516 2.182 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507749107 VYPMJCMQQUQUBF-UHFFFAOYSA-N 438.601 2.021 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1507897166 NLPVDMAJMRIDFI-DFGXFYAUSA-N 425.599 2.494 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1507970410 MJAVAVWIDLNOHW-XMSQKQJNSA-N 430.553 2.342 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cc1C 1511005380 CZCLNJPINAOAQS-IBGZPJMESA-N 426.521 2.071 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc4ncc(Br)cn4n3)C2=O)cc1 1515391381 GUYILCWVFKGNJS-OAHLLOKOSA-N 439.273 2.289 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H]1C 1515817076 BDEVCIJJZGOLSF-MSOLQXFVSA-N 439.564 2.174 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1C 1515903749 FFKHVHYDPDWBPN-FXAWDEMLSA-N 442.589 2.314 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(Cl)nc1 1516539786 QFYCCNVAGJSPCT-UHFFFAOYSA-N 425.880 2.446 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccnc2OCC(F)F)cn1 1517367096 BADOFSNKIIURSL-LJQANCHMSA-N 432.410 2.208 30 10 IEEE CO[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1517943658 CHCOXPWWASFKEE-RTWAWAEBSA-N 444.561 2.205 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCSCC1 1521423166 KTBKBVWJGVKKSS-FMQUCBEESA-N 442.520 2.088 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCc3cc(C#N)ccc32)cc1 1526485147 HCWDPMATANSRLR-UHFFFAOYSA-N 426.498 2.117 30 10 IEEE CCCN(C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)c1snc(C)c1C#N 1535531388 UKOAAYRWJVELFM-UHFFFAOYSA-N 425.514 2.405 30 10 IEEE C#CCN(C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C1CCN(C)CC1 1538303630 XVJWGNJPPKLRJS-IBGZPJMESA-N 428.602 2.494 30 10 IEEE Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538308763 SGGLSBLFZKYPCE-XOBRGWDASA-N 447.513 2.458 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539215400 BAIFBSSXHRNNPR-GOSISDBHSA-N 443.573 2.092 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](C(=O)NCC(F)(F)F)C3)CC2=O)cc1Cl 1539320740 HKYFEFHETYOYJR-QWHCGFSZSA-N 442.825 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1539467137 NLYMAVBOBHZUNO-UHFFFAOYSA-N 446.559 2.375 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539742532 FEDDIRRIVPTADR-OAQYLSRUSA-N 449.559 2.215 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539743256 ZSUONQUGJHARBL-FQEVSTJZSA-N 427.597 2.471 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1540047820 MZSUHAZOGKIDQR-HKUYNNGSSA-N 432.594 2.348 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(OC)C1 1540867230 PAMWAHWBYRCODE-JOCHJYFZSA-N 427.505 2.024 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1541111128 FSNOVYHKYNXNDJ-IBGZPJMESA-N 444.543 2.285 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)c1 1542741339 HDXVCHXFISKYFF-WOJBJXKFSA-N 431.602 2.114 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1545156132 DKVFIPLMDGLWMI-MMYRVIJDSA-N 439.545 2.197 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1547420787 OQKGTSKLZZQGFM-KRWDZBQOSA-N 441.536 2.269 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Br)n1 1554350322 SCVGBBMDQYDQFO-CQSZACIVSA-N 428.294 2.218 30 10 IEEE COc1ccc(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1554884764 GNYBOIDWDNCAGK-FUHWJXTLSA-N 449.515 2.360 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1555328276 JMBSMSWXDAGINH-UHFFFAOYSA-N 435.488 2.058 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCCCCO)CC2)c1 1555990998 OEOKZMLLXNXDOH-IBGZPJMESA-N 425.537 2.276 30 10 IEEE COC(=O)CN(CC#N)CC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 1559582073 YZZXKSVIFCCMCB-FQEVSTJZSA-N 434.496 2.423 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)COc1ccc(C#N)c(Br)c1 1584041372 FOPVARKJLILHMT-UHFFFAOYSA-N 442.269 2.454 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)cc1 1585166606 WHTCWYBXPPQIDR-UHFFFAOYSA-N 439.497 2.010 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1587645628 KUHLZMLALOZXRK-WBOBJJNYSA-N 440.454 2.131 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1587701379 AKVNTCZGTBQVHH-INIZCTEOSA-N 442.951 2.332 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2[nH]nc(OC)c2Br)ccc1F 1587938581 WCXQFDRSZLOYRV-UHFFFAOYSA-N 433.259 2.037 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588035193 PTBVYZZVAAJEBS-MRXNPFEDSA-N 426.464 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(C2CC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588128837 UCUPITQCOBLHPP-QYZOEREBSA-N 425.533 2.253 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1589515683 RBODICHAJCCTQE-NQIIRXRSSA-N 425.533 2.397 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1595545269 UKRHWXCMOVWDPZ-CTNGQTDRSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1595551853 WXIQTFXMBUWHBH-HHXXYDBFSA-N 429.496 2.190 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1595818698 XMABMAHRUROJIZ-CHWSQXEVSA-N 449.392 2.066 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1596984057 BBFUASFDZGJFQI-MSOLQXFVSA-N 430.553 2.201 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc4c(c3)C(=O)NCC4)C2)C1 1611288775 UPIMLEMEBYQVIK-RKDDFOCISA-N 438.528 2.376 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H](CC#N)c2ccccc2)C1 1611545390 BEDPVROYGXFASD-ROUUACIJSA-N 435.546 2.224 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)cc1 1612145315 VCMSDCRPYBQTFW-CTNGQTDRSA-N 441.532 2.338 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1619622631 QPLKFZZYGBMNJH-MOPGFXCFSA-N 428.512 2.355 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1 1622976767 FBMOAUARGOINRA-OAQYLSRUSA-N 438.549 2.447 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(C2CC2)s1 1626565346 BLMYXEVSFWDBCY-AWEZNQCLSA-N 433.559 2.329 30 10 IEEE CN(C)c1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1627361886 HGHQQHNQIVPYDL-UHFFFAOYSA-N 431.493 2.302 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1627507732 MNYOMVYHBCAUEC-GOSISDBHSA-N 432.542 2.263 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)CO2)C1 1629108347 BIWWYQXJQZJWDH-CYBMUJFWSA-N 426.395 2.480 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)c1 1630761866 DTBWLWHBZDXGLQ-UHFFFAOYSA-N 442.516 2.421 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1CSc2ccccc2O1 1630852054 KWZQUQHTTXQFGV-AWEZNQCLSA-N 431.539 2.175 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1638151884 OFJYXRZPDJAOKU-RKDXNWHRSA-N 427.292 2.210 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)C2=O)cc1 1638905778 BXLKXEKAHVQSKA-YADARESESA-N 446.511 2.132 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1639638005 LUORPEZAEOWNKG-OAQYLSRUSA-N 441.509 2.029 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-n1ncc(C#N)c1N 1640347339 IAQIBEQMSZTGSP-INIZCTEOSA-N 427.509 2.110 30 10 IEEE CCOC[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 1644093583 DDGGTOQBFJRTKY-ROUUACIJSA-N 430.549 2.093 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c(C2CCC2)cnn1C 1645216057 PHCSZIWOINQVCZ-GOSISDBHSA-N 443.573 2.457 30 10 IEEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OC 1648791391 RMDHNUPLHSWMLG-GFCCVEGCSA-N 442.843 2.261 30 10 IEEE C#CCCCCCCN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1652817805 BZLJUCNGDJIATM-UHFFFAOYSA-N 426.604 2.289 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 1654941402 ZOCJMJNTTRZDQN-LEWJYISDSA-N 445.995 2.227 30 10 IEEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1660925656 BPSYMCWORDGAEO-NRXISQOPSA-N 449.451 2.447 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnc(-c2ccccc2)s1 1662841441 HESZGNHHENBAGE-AWEZNQCLSA-N 426.527 2.371 30 10 IEEE CC(C)(CCC#N)CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1683082907 JZMZUEXXDOAWPX-OAHLLOKOSA-N 430.571 2.040 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3C)CC2)C1 1685177492 WDYYQUVTCCHALX-LEWJYISDSA-N 426.561 2.022 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1689892223 AVBUUAOLQDKBIP-QGZVFWFLSA-N 432.550 2.059 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC1CCCCC1 1689950988 IRWXOIYNFHKZGJ-UHFFFAOYSA-N 443.573 2.257 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCCCC1 1689972350 LYXKEIUCQCONEM-UHFFFAOYSA-N 436.604 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2nccnc2C)CC1 1690150444 HUHWCHVYLRGITO-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690196754 WXTWOESYBKLQIY-CNRFCZHISA-N 441.495 2.335 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690249284 WOFNRRYNDPUHOQ-JENIJYKNSA-N 439.626 2.318 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690414738 IRIMLLVAWUGDSP-RTBURBONSA-N 430.597 2.302 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1690484845 FTGBBPLTCFHQAB-HNNXBMFYSA-N 433.525 2.059 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1690597036 HUOKKGYDCMKKMF-UHFFFAOYSA-N 434.537 2.126 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1690742188 JMAGUDGBVHPFER-UHFFFAOYSA-N 439.545 2.215 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)[C@@H]1CC 1690749207 VPDDFPWPBNFSCE-KRWDZBQOSA-N 425.562 2.151 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1692658884 OMCYJFXOWRRYMQ-CVEARBPZSA-N 429.550 2.322 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1693489826 NMMBWYQFSXZVMC-CYBMUJFWSA-N 427.509 2.282 30 10 IEEE CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1694402094 HWADCIJKDJHEHY-FQEVSTJZSA-N 449.563 2.158 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCNS(C)(=O)=O 1705546044 YWUXJRFTADXLLL-UHFFFAOYSA-N 433.534 2.431 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1705563919 HVRSMJSMCVHVCN-IPJJNNNSSA-N 443.573 2.315 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705564291 ANNUTDIWGVHFLC-SJLPKXTDSA-N 444.557 2.258 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(OC)cc1 1705572714 LKZRISLPDXAXMB-UHFFFAOYSA-N 430.468 2.086 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705639136 HBTTVUIIMIBGJI-UTSGNWPNSA-N 439.560 2.343 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705662627 FMYVUNJITQDSCI-FQEVSTJZSA-N 437.573 2.041 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(N)=O)C1 1705698553 VZTWGTMHNFVPHG-WWGRRREGSA-N 449.353 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705703852 WVNRAXQZWWREBC-ICPLQIHGSA-N 444.580 2.272 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCNC(=O)C1 1705710577 YMWCFMMWPGQSFD-GCJKJVERSA-N 425.533 2.337 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705898254 GTHPVRVVPVEHDN-FUHWJXTLSA-N 436.516 2.036 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1708038071 TWYFCUOPZJGKDW-IIBYNOLFSA-N 431.562 2.239 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2nccc(C(F)F)n2)CCOC1 1710447426 GIRNATVDLZBUAB-FQEVSTJZSA-N 433.463 2.446 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1711287859 OHXBEJPSDRJSMS-GOSISDBHSA-N 432.532 2.316 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCNC(=O)C(C)C 1712637810 WNLNSLFBIRMTJO-OALUTQOASA-N 432.569 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@H]1C 1722369923 CQWIQYHVROFQNX-HXOBKFHXSA-N 439.947 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCC[C@@H]1C 1722401326 TWWVDAAUXDECSJ-JTSKRJEESA-N 425.558 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1722445889 DPGXRTXXRAFRDR-NRFANRHFSA-N 449.603 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(C)CCCO2)CC1 1722448669 FXKHSVUWSXTMAQ-QFIPXVFZSA-N 427.574 2.465 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722701032 CXTKNAWJHRMCBD-UHFFFAOYSA-N 443.621 2.400 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1726750469 VVMSNYSGJUHPMR-YLJYHZDGSA-N 427.505 2.149 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1728080016 LTIBPDUGFCVWBP-LJQANCHMSA-N 437.548 2.038 30 10 IEEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1730885589 BLXKUYYPBNEORP-JOCHJYFZSA-N 442.495 2.030 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CCCCCCO)cc1 1731184672 RHCRMJZZWIFZRF-NRFANRHFSA-N 435.532 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1740547737 AWJOSFQZYKGFIW-INIZCTEOSA-N 447.543 2.192 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1740592574 ZQLWCFQSOPGJNL-FHWLQOOXSA-N 435.594 2.183 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC1CC2(CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 1740628680 ZMQCMEUHZIFBNL-LJQANCHMSA-N 434.606 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1740644790 UNRGLCRYJLHGFI-UHFFFAOYSA-N 442.527 2.119 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(N(C)C)CCSC2)CC1 1740705091 AOKACHIAVCCJSC-QHCPKHFHSA-N 446.665 2.270 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1740724928 DZDUAUZSMAGHAL-HUVFLSCGSA-N 445.608 2.279 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCSC(CC)(CC)C1 1740951124 CNUVZBJZUIQWJD-UHFFFAOYSA-N 443.577 2.340 30 10 IEEE Cc1c(CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1742064475 DQTKECRPSVHKHR-FMQUCBEESA-N 440.552 2.071 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)n1 1742702607 DNGWMDAXCGUMNE-FQEVSTJZSA-N 445.593 2.095 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCn2ccnc21 1747997649 RDMHHNSZOUNQTF-SFHVURJKSA-N 439.545 2.072 30 10 IEEE CO[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1748389086 ZLRQAHAWBLZZCK-SIFCLUCFSA-N 438.504 2.063 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1748820388 AVNJTZUCIGWPFV-KRWDZBQOSA-N 431.587 2.023 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1748929993 VHYNNWDGLLXZQA-LJQANCHMSA-N 427.574 2.070 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCCNC(C)=O 1748956428 RPMZMEXQZANCHC-UHFFFAOYSA-N 434.338 2.320 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1748986620 DNOAZWZODZNECF-UHFFFAOYSA-N 431.544 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](Cc2ccccc2)OC)CC1 1749015691 JIOKFHYHZLLEQF-QFIPXVFZSA-N 435.572 2.454 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749122419 VUEROHITPOFZID-AABGKKOBSA-N 441.557 2.421 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(n2)CCCC3)CC1 1749287140 XMGGRXGBTWUYSF-MRXNPFEDSA-N 430.578 2.367 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1749951203 UPMRMEWNEKNAQF-PFUTUXKYSA-N 446.552 2.011 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(OC)CCCC1 1750030973 SXQPFZPLVRHNFH-MJGOQNOKSA-N 432.569 2.138 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(F)CCC2)CC1 1750210721 XDNNSFDUCAEIGE-UHFFFAOYSA-N 432.525 2.181 30 10 IEEE CC(C)CCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1750808741 FLWYIPWANDKTFN-OAQYLSRUSA-N 439.499 2.425 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCSCC1 1752727675 CVWHGCDESRQFRO-HNNXBMFYSA-N 427.578 2.375 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760188485 APLNGOFINGPIJX-OAHLLOKOSA-N 433.584 2.062 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1760230015 NMFFJDIWQIEICK-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)OC(C)(C)C)CC1 1760255758 HXHPVYSDYAAVMR-UHFFFAOYSA-N 445.955 2.273 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@@H]2C)CC1 1760264971 IYQJWVOSHFIWBF-HKUYNNGSSA-N 449.559 2.327 30 10 IEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1760274988 XIFOIQWPPAAFMC-INIZCTEOSA-N 443.529 2.066 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CCOC)C1 1760277263 FQAWJEIGVFWZHJ-KRWDZBQOSA-N 438.561 2.150 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1760324572 LBRCIWUXRAZEBR-NQIIRXRSSA-N 446.573 2.382 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCCCn1cc(Br)cn1 1760467574 NCJGVVWPVFINTF-UHFFFAOYSA-N 436.358 2.462 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1760529492 IANYHRLVBRMDFT-WZONZLPQSA-N 425.533 2.358 30 10 IEEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1761102728 ACYKWXHWEPBGMW-DQRAZIAOSA-N 449.515 2.347 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1761363454 GMYYBCPBDGDYIZ-NFFVOIMASA-N 433.516 2.328 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(C)=O)C2)CCC1 1765608808 FXQMESOOULOTST-FQEVSTJZSA-N 449.559 2.228 30 10 IEEE CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765802939 BATCQLDFPGPKHJ-ICSRJNTNSA-N 425.537 2.395 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCOc2ncccc2Cl)CCO1 1770751295 FMBIWRUWXNLYOJ-MRXNPFEDSA-N 425.880 2.120 30 10 IEEE COCCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771017016 CMQZYMUSFINYPD-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1 1772887570 IJTWYTBOHRFFJC-UHFFFAOYSA-N 441.561 2.496 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](OS(C)(=O)=O)CN(C(=O)OCc2ccccc2)C1 1848350703 PCJOPKRTWSFBOX-CVEARBPZSA-N 428.507 2.267 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)CC1 1849005284 ZBMGLKXHHGHEOY-FQEVSTJZSA-N 448.564 2.205 30 10 IEEE CN(C)C=NC(=S)N(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl 1851945813 REVANKXOIRJLHD-UHFFFAOYSA-N 430.983 2.219 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(CCc4ccc(Cl)cc4)C3)CO2)nc1 1852465119 OPIPWPJYGWVNKG-HKUYNNGSSA-N 440.887 2.361 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854130452 RVWAKRWIUHECKO-OAHLLOKOSA-N 445.928 2.343 30 10 IEEE CN([C@H]1CCCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 1855573326 XLBFHXUVPQEPFZ-QAPCUYQASA-N 437.949 2.046 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(=O)N(C)c2ccccc2C#N)cc1 1858019007 WKMHUZDYQPHBLC-UHFFFAOYSA-N 442.541 2.372 30 10 IEEE CN1CCN(C(=O)Nc2ncccc2OCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1858814320 XHUJANHWBYXUDJ-UHFFFAOYSA-N 440.529 2.300 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccccc3)cc2C1=O 1870141781 KBLPSXYOZWFFDJ-UHFFFAOYSA-N 430.424 2.024 30 10 IEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CSc2ncccn2)cc1=O 1870244357 LANRCGCHLBZLEZ-UHFFFAOYSA-N 444.538 2.191 30 10 IEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccn1 1874339429 VZZHBFXGNRQZQJ-URMYYVDKSA-N 430.534 2.325 30 10 IEEE NC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874370928 YSLXILNDFJBSJS-DJKKODMXSA-N 432.487 2.198 30 10 IEEE CN(C)CCN(CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2060636979 FLHWVCFLUBPMGL-ALXJQNPVSA-N 437.390 2.336 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085658089 BPFROAUIWLEYLR-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2224133869 BBHBBNKIXAVVPY-INIZCTEOSA-N 432.374 2.344 30 10 IEEE C=CC1(NS(=O)(=O)CC(=C)B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2243435569 SKAQKHSAESLKIG-UHFFFAOYSA-N 428.360 2.269 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247839138 SOZRDJFACLUHBJ-UHFFFAOYSA-N 430.257 2.469 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(COCc3ccccc3)C2)n1 2255648523 CZCINTRXIQNWCS-UHFFFAOYSA-N 425.338 2.445 30 10 IEEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)C(=O)OC(C)(C)C 2255648942 ORILGIHCLKAFNF-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CCC1(CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267005346 LRUXWOIILHODQO-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127246 QGKIQFDHRBZIPY-MRXNPFEDSA-N 448.373 2.143 30 10 IEEE COc1cc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267141164 IDWASHASBOTKTE-UHFFFAOYSA-N 448.325 2.275 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267176757 FBHBKTVSDHEJNQ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267186309 HWYUDRHEAFPJNL-CVEARBPZSA-N 448.325 2.039 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267507435 NYGATDWTAAZFAK-LSDHHAIUSA-N 448.373 2.155 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523185 YBHZWHJNLBPACU-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267569686 ZFXRGDBYVPSCCG-INIZCTEOSA-N 449.357 2.022 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267597089 SYYSHXBDYJWTSY-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2267608690 IKRMINDQWPIPGH-CVEARBPZSA-N 443.353 2.462 30 10 IEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268644698 MXMVTEFTBPAEMA-IIDMSEBBSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268662695 CVJLSSRDSHFANM-LSDHHAIUSA-N 447.341 2.249 30 10 IEEE COCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCCCC2)SC1=S 2314435861 YNSODWTZEDCBOD-UHFFFAOYSA-N 432.571 2.403 30 10 IEEE COc1cc(C=Nn2c(C)nnc2SCC(=O)Nc2nccs2)cc(OC)c1O 2321126164 ADSAXGPAEKQSSJ-UHFFFAOYSA-N 434.503 2.379 30 10 IEEE NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(O)c1 2327540907 AYLXEMZXSULSCT-UHFFFAOYSA-N 433.877 2.381 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cc1 20292979 PEICLRUMFZVQNF-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)N3CCCC[C@H]3C)n[nH]2)c([N+](=O)[O-])cc1O 59820589 WXVWUIDYKOWIOO-YXZFXQPTSA-N 449.493 2.366 30 10 IEEE COc1ccc(CNC(=O)[C@H](C)OC(=O)CON=C(C)c2ccc3c(c2)OCO3)cc1 254806548 ZFRCBDPHPIWDKL-HNNXBMFYSA-N 428.441 2.413 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CCC1 430986751 DUQIKWHATAWYPD-LLVKDONJSA-N 449.374 2.249 30 10 IEEE COc1ccc([C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c2nccn2C)cc1 465215406 LMYRHAIRYLAITP-OXQOHEQNSA-N 446.515 2.100 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N4CCOCC4)c(F)c3)cc2C1=O 490817930 APESHFPMMLMPEJ-UHFFFAOYSA-N 437.427 2.332 30 10 IEEE C=CCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508931499 PHZXKGNTBAFINW-UHFFFAOYSA-N 448.549 2.472 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 524022633 VJSDXSJILQQVRA-UHFFFAOYSA-N 431.418 2.487 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C[C@@H](C)C#N)C1CC1 533583619 LJIPRQNFAKQULQ-HNNXBMFYSA-N 425.576 2.482 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 537996952 AZSSDLBJAYZPEY-JOCHJYFZSA-N 432.524 2.022 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)n1 545461958 BKYIWWCCVGBSLF-UHFFFAOYSA-N 439.541 2.090 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 555244428 LGZGPWKRUFBTIR-IBGZPJMESA-N 431.562 2.439 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 566825239 KXIBGENFAVBSRJ-WDSOQIARSA-N 431.562 2.179 30 10 IEEE COc1cc(CNC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)ccc1C#N 577332555 UEWRQEOCANURFO-UHFFFAOYSA-N 428.514 2.085 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)CNc3ccc(OCC)c(-n4cnnn4)c3)cc21 586320558 FZDVRXVZCHPVHV-UHFFFAOYSA-N 434.456 2.267 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)c1 609254887 BCCJVGSSWNJHBY-UHFFFAOYSA-N 434.496 2.403 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1 610153401 PLJHZTZXVBVBGA-NHCUHLMSSA-N 436.537 2.299 30 10 IEEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 610166264 JPMCBOHFEFMJMZ-UGKGYDQZSA-N 434.544 2.074 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 610810860 RUDXTSXODGPPCG-RTBURBONSA-N 440.569 2.348 30 10 IEEE COc1ccc(CN2CCN(Cc3ccc(OC)c(C#N)c3)[C@H](C(=O)N(C)C)C2)cc1C#N 610995113 IQKLAJUUBVAPPG-QFIPXVFZSA-N 447.539 2.222 30 10 IEEE Cn1cc(C#N)c(NC(=O)N[C@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)n1 616096400 VVQAWPZKGSWGJS-IRXDYDNUSA-N 438.488 2.097 30 10 IEEE N#Cc1cccnc1N1CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)CC1 619516290 CYDRHGJKCAAFAA-UHFFFAOYSA-N 432.875 2.355 30 10 IEEE C=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OCC 734022920 NLZTWGSCWXJEDI-ZIAGYGMSSA-N 445.921 2.414 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742213875 PVAYIZSVLNYDIW-LQKDLAGFSA-N 429.590 2.076 30 10 IEEE Cc1noc(C2CCC(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 753308561 HNZWZVVFGWWURZ-LRVUVFPRSA-N 431.518 2.038 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 755310614 NDQOWLNOEIFBOD-XJKSGUPXSA-N 440.363 2.058 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 755327588 BIJWHOQEYLPPMA-IEBWSBKVSA-N 444.532 2.499 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)ccc2c1=O 757916252 ORAZVNQNQHVISX-IBGZPJMESA-N 436.537 2.301 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CC=CC2)C1=O 759698407 KLQACXYCOCHDAT-GOSISDBHSA-N 430.530 2.133 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 766930191 CEFRVYXMFBROFA-QKBUSNMPSA-N 426.517 2.293 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)OC)c(C3CC3)n2)ccc1F 779972953 PNWTVBHLUMMIQK-UHFFFAOYSA-N 447.488 2.279 30 10 IEEE N#Cc1ccc(COC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F 791301348 KWBSMQGQBLBKEH-UHFFFAOYSA-N 427.797 2.281 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 794111304 OAAHVRCTMCYYQF-UHFFFAOYSA-N 443.529 2.310 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)[C@@H]1c1cncn1C 796088825 ZVDYMLYYJFBGLX-SPYBWZPUSA-N 443.529 2.294 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)o1 796278868 GDNFEOUFUZPRGK-CQSZACIVSA-N 428.411 2.415 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 802009598 YJIKXXSCZAXRKR-YKSBVNFPSA-N 447.624 2.402 30 10 IEEE COCCn1c(CCOc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 802442101 VXNFVGFVIMYMEK-UHFFFAOYSA-N 433.516 2.139 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 806383237 GVRMTABKMMFPHM-MOPGFXCFSA-N 444.532 2.242 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 809885204 CJBADCQMVXXNFH-BZSNNMDCSA-N 449.552 2.157 30 10 IEEE C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 913173408 BKPJBOVWHVRSKL-JKSUJKDBSA-N 441.509 2.136 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(C2CCN(C(=O)C(C)C)CC2)C1=O 914549763 IGNNBINXZCMLSZ-SFHVURJKSA-N 446.573 2.410 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 914679029 QOSCTOAWCSWGEP-APWZRJJASA-N 440.477 2.213 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 915098209 LUTFFSUOMZMVEK-HUUCEWRRSA-N 427.486 2.445 30 10 IEEE CCn1c(CCC(=O)N(C)c2cc(C#N)ccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 1128080102 QUPADGWDQMCKIO-UHFFFAOYSA-N 440.529 2.169 30 10 IEEE C#CC[C@H](NC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1)C(=O)OC 1161364628 FPOPDHQJJFRPGO-HNNXBMFYSA-N 430.482 2.241 30 10 IEEE COC(=O)c1cn(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc12 1184273406 RKQFOEULYGVSPL-UHFFFAOYSA-N 435.436 2.332 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCO1 1196554706 XNJUICMFVXTFPB-JLCFBVMHSA-N 449.573 2.495 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1198692171 WRGIFWBKTWWOIA-BGYRXZFFSA-N 432.480 2.251 30 10 IEEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)CC2)c1 1212343592 HGKNCUXPXQQNNO-UHFFFAOYSA-N 440.525 2.458 30 10 IEEE CN(CCCC(=O)Nc1ncc2c(c1C#N)COCC2)S(=O)(=O)c1ccc(F)cc1 1276480944 GWUZXTVXVZXNGG-UHFFFAOYSA-N 432.477 2.204 30 10 IEEE C#CCCCn1c(N(C)CCCC(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359765 JHFQMFUVGVMMBA-CALCHBBNSA-N 432.569 2.425 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286359821 KPKROLONIRXTLH-QHCPKHFHSA-N 431.581 2.033 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C2CC2)C1=O 1286403448 JPQOTFKPADXYJH-FQEVSTJZSA-N 441.333 2.119 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCN2CC)CC1 1286485185 WZFRAMGLWGQDBN-JOCHJYFZSA-N 447.587 2.358 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1286714876 UVVVHHCFMPRHBZ-KRWDZBQOSA-N 429.521 2.298 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F)C1CC1 1286736185 BXDLRJORCBOROI-AWEZNQCLSA-N 437.488 2.108 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2COCCO2)C1 1286811602 CYBDGPGWFOUOST-UXHICEINSA-N 430.505 2.062 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1291189642 FKARAYKUFKBDER-QGZVFWFLSA-N 449.559 2.323 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H](C(F)(F)F)O1 1291217577 DVVXVFHQRKAIPE-CXAGYDPISA-N 448.449 2.499 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1291959451 RYHHKFFCRDVESV-UHFFFAOYSA-N 425.464 2.075 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300310671 YMHRYODPVNIIJN-ULQDDVLXSA-N 429.487 2.283 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300445995 BHEVIDNHYZOYFO-DLBZAZTESA-N 448.980 2.267 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)Oc1cccc(F)c1 1300538947 WDVNDFPHABRHAA-PKOBYXMFSA-N 444.532 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1300579728 YWXPQFGOABGRAX-PMACEKPBSA-N 439.585 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1300726817 RQQPBMRZEISJSS-MHECFPHRSA-N 438.576 2.027 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1300789142 ZVCBMNRTIJCJEP-RTBURBONSA-N 429.487 2.416 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1301272143 CDHNWYRELYVKBS-ACJLOTCBSA-N 425.580 2.060 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1301612446 YYLZUPYHSFMINB-UHFFFAOYSA-N 441.609 2.469 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301618688 VGIHZGJZWCYJJT-WIYYLYMNSA-N 432.594 2.443 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)C(C)C)CC1 1301889510 AKWRANYWNFGLFG-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cccs2)CCOC1 1301956199 GHQFRDIDBNVLBF-HRAATJIYSA-N 446.577 2.406 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OC 1302428382 IBEAWPOVOLNBBK-GDBMZVCRSA-N 444.937 2.035 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc([C@@H](O)C(F)(F)F)cc1 1302493371 IATNPKMLNGZCKD-MRXNPFEDSA-N 427.404 2.350 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)cs1 1304675378 HUSJHBCXAVKYTQ-GOSISDBHSA-N 443.577 2.155 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1 1306872392 OUAMOOUZGWLDHN-UHFFFAOYSA-N 433.486 2.201 30 10 IEEE CN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1314642025 ADUKDYMCOAUQSK-UHFFFAOYSA-N 427.528 2.292 30 10 IEEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1316438027 FLUKYPJECFFOAX-VFAFWLKOSA-N 446.577 2.030 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1ccccc1F 1358872131 OUVBSECOCIDKKV-XHSDSOJGSA-N 437.541 2.343 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1358905174 UFLCHVYTUVEIAU-XMSQKQJNSA-N 445.589 2.098 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1358961902 GWFXZGCAPVXNHO-DLBZAZTESA-N 449.602 2.236 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358966387 NTUASVDZLBNFFD-HXUWFJFHSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCC1 1358991787 OQCVQZFFHZSDIB-UHFFFAOYSA-N 440.573 2.006 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCCN1CCN(CC)CC1 1358993397 LRXLASXQGWQDAP-JOCHJYFZSA-N 426.609 2.400 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1359083069 BEPQSRGBESEJEW-CQSZACIVSA-N 441.351 2.431 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359224605 XDBZXJDPKJPZGA-JOCHJYFZSA-N 427.505 2.229 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1359226739 LMSZTHOCYMSIEA-LJQANCHMSA-N 428.512 2.288 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359228564 GYSLAJMZDYNLHU-VQTJNVASSA-N 430.553 2.117 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359303167 GIZYWMKOQVSPSP-CQSZACIVSA-N 442.511 2.305 30 10 IEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1359336158 GXNCRCZIVUWOEM-OAHLLOKOSA-N 448.980 2.092 30 10 IEEE C=CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359346424 KZLUVQCIWFSXRW-UTKZUKDTSA-N 437.610 2.295 30 10 IEEE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1359394031 KMYSFLTXEWKDAW-CYBMUJFWSA-N 425.518 2.204 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1359469445 DXMWVEBVAWOJNX-MRXNPFEDSA-N 427.505 2.244 30 10 IEEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C1CCOCC1 1437881185 ZEHHIQYFXXGAJZ-SFHVURJKSA-N 432.498 2.124 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1447486968 QKSKYAQXSAPADV-OLZOCXBDSA-N 434.497 2.256 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1c1cnn(C)c1 1457094406 XMLHPCWNEFOMHW-HYVNUMGLSA-N 432.525 2.007 30 10 IEEE N#C[C@H](CO)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1468043694 PZNXHPIYVYZUPU-CYBMUJFWSA-N 428.297 2.337 30 10 IEEE C[C@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1C(=O)c1cscn1 1468738390 MJFSIXPBENUSOJ-INIZCTEOSA-N 446.573 2.467 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cnn(C)c2I)C1 1469533223 AINGUDVHUIPPHG-AWEZNQCLSA-N 435.269 2.247 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1470544313 HSCXQCHDHZBFAS-BRWVUGGUSA-N 443.552 2.262 30 10 IEEE C#CC[C@H](COC)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 1470741464 ZBXMRXDVCHMGAY-YESZJQIVSA-N 428.558 2.490 30 10 IEEE N#C[C@@]12CN(C(=O)NCCOCc3ccc(Cl)cc3Cl)C[C@H]1CS(=O)(=O)C2 1478342051 VUFNGDIQBDWRIF-GUYCJALGSA-N 432.329 2.090 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCCC2)CCO1 1503784300 VAXBPEDJLHIGDW-FQEVSTJZSA-N 436.516 2.180 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCOCC(F)F)c1 1505318707 PFOVWFUXSQNDFB-IRXDYDNUSA-N 430.459 2.346 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1507603559 CAHCBCNHUXPZDL-XMMPIXPASA-N 437.544 2.170 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCC1 1507681460 YGAWSUZZQUFTOY-UHFFFAOYSA-N 445.589 2.350 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CC2)N(C)C)CC1 1507736879 UWIYZZAUUBTNAX-NRFANRHFSA-N 438.551 2.390 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)cc2C)CC1 1507738049 INKUOXSBHXOVSJ-OAQYLSRUSA-N 448.571 2.055 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SCC)C1 1507746206 MWHGXWSNDAYBKS-CVEARBPZSA-N 445.680 2.367 30 10 IEEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1508022644 XPQPFZPHADLPAW-SFHVURJKSA-N 427.530 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC1(C)C 1508087685 PFABBAKNWLRKSL-UHFFFAOYSA-N 435.532 2.356 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1508100755 OEOPEWXGBUZUKK-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)C[C@H]1CC 1508139627 HZNMBCYZKYAEKA-HUUCEWRRSA-N 435.550 2.231 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1516744557 MUACUZODNMFDIO-OAQYLSRUSA-N 440.548 2.066 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCOc3ccccc3)n2CCCCN2CCOCC2)C1 1521069344 IYAYQYBMNDEHGR-HSZRJFAPSA-N 442.539 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1521758570 AMFIPTCMBLVCFN-JPYJTQIMSA-N 442.516 2.196 30 10 IEEE CNC(=O)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)Cc1ccc(F)cc1C 1526604477 FQRGYXYXCVJLQU-RTBURBONSA-N 436.487 2.080 30 10 IEEE C=CCn1cc(CNC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)nn1 1529264617 FOMMSNCWXHUGEO-SFHVURJKSA-N 445.321 2.072 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1539053562 VEDKWAYKRMTKTB-MJGOQNOKSA-N 431.562 2.270 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539220559 SYVQOMMIOJZKKW-GOSISDBHSA-N 444.605 2.003 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OCC)c1 1539232561 IFAGALZGUZUUKJ-UHFFFAOYSA-N 444.495 2.454 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(COC)CCCCC2)CC1 1539460163 YVLTWENHTZSFII-UHFFFAOYSA-N 439.608 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1539477793 YWVRMOUZMNENLJ-MBSDFSHPSA-N 437.548 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540868632 MBGVIJWSLWNAFY-SFHVURJKSA-N 449.559 2.092 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC1 1540875693 VAVRHHULFBWFKE-UHFFFAOYSA-N 426.304 2.303 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@H](F)C1 1541673860 GEKXFPSWENLVLI-AEFFLSMTSA-N 440.527 2.148 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCC1 1548307677 DNPCDLWPKFETTO-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1555268599 AJLSGYPXKMZMPP-UZLBHIALSA-N 425.472 2.035 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1555929199 WVDROTCOUUJWCD-NRFANRHFSA-N 428.562 2.396 30 10 IEEE C=CCC[C@@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1556586611 YVGARPCCSBAIBF-KRWDZBQOSA-N 436.508 2.426 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)ccc1F 1557917150 NYQJPMSAJNHVTN-NRFANRHFSA-N 428.489 2.383 30 10 IEEE C#CCN(CC1CC1)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1561391060 ZWTJCILHFDPJME-UHFFFAOYSA-N 447.294 2.420 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc3c(c2)CCO3)c1 1567906484 LBRCARDQBDZFFU-HXUWFJFHSA-N 427.478 2.063 30 10 IEEE COc1cccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[nH]c12 1583691410 FABVUOOVFSZDRI-UHFFFAOYSA-N 439.497 2.483 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1 1584340608 JPNHNELYLDDJCF-UHFFFAOYSA-N 425.441 2.140 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CC1(C#N)CCOCC1 1586900906 NIEWYGZSOKBKNR-DZGCQCFKSA-N 447.454 2.077 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1587631745 FQGZICLDXWXWHQ-GMAHTHKFSA-N 436.604 2.448 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCC)CC1 1589528673 HVNKAYJXLYWAGH-QUCCMNQESA-N 439.564 2.459 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1594962350 KIBJHYYJIGSYMX-LJQANCHMSA-N 431.562 2.159 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)n[nH]2)c1C 1596023393 CUSNTMDFSWTKMQ-UHFFFAOYSA-N 442.545 2.256 30 10 IEEE Cc1nc(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)ccc1C#N 1596661200 LGUQHOLIMYEQAZ-MRXNPFEDSA-N 428.489 2.324 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccc(F)c(F)c1F 1596789006 FANUCOHYCKGNPX-RYUDHWBXSA-N 444.483 2.144 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC=CCC1 1608571465 GQQIEWHPILEFIL-GOSISDBHSA-N 434.548 2.366 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H](C(C)(C)O)C3)nnc12 1611640917 YBAZDKALBMADDZ-OAHLLOKOSA-N 441.557 2.332 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2ccnn2)c1C 1611828326 DSNXKDLBZZPYFD-MOPGFXCFSA-N 436.520 2.446 30 10 IEEE Cc1cc(C)n(CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)n1 1612513600 AORCKFKUOUGICU-NRFANRHFSA-N 425.516 2.485 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1614909271 BEVSPDNEDXCISZ-FQEVSTJZSA-N 449.559 2.086 30 10 IEEE CCCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCc2ncsc2C1 1616509391 URTIJLKSYOOTEF-AWEZNQCLSA-N 432.571 2.368 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1620171621 GGUJIDUKYBPMOJ-UHFFFAOYSA-N 444.492 2.115 30 10 IEEE CNS(=O)(=O)N1CCC(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)CC1 1627117167 CSMHADHTWOJEAA-CYBMUJFWSA-N 432.468 2.122 30 10 IEEE N#Cc1cc(NC(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)ccc1N1CCC(O)CC1 1631610412 KWIQEHWHKZGUTF-VWLOTQADSA-N 434.540 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)F 1632532504 CEBTZRCVSOPVRP-JHJVBQTASA-N 432.468 2.410 30 10 IEEE COc1cc(CNC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)ccc1C#N 1635039872 GYZAGLHYQBNIQY-UHFFFAOYSA-N 435.528 2.264 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ncc(Br)cc2C#N)CC1 1639206739 CTPCJSBBDAMCEL-UHFFFAOYSA-N 440.323 2.222 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(Br)cc(N)c3N)C2=O)cc1 1639973828 NQZAKCJQKHZSML-INIZCTEOSA-N 428.290 2.016 30 10 IEEE COC(=O)c1cc(C#N)c(=O)n(Cc2cc(OC)c(C(=O)OC)cc2Br)c1 1640830233 FTCBLYJDESJYCX-UHFFFAOYSA-N 435.230 2.113 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCc2ccccc2F)n1Cc1ccc(C#N)o1 1649548024 HIJIMXGWAGGQOC-AWEZNQCLSA-N 446.508 2.219 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNc2ncc(C#N)cc2[N+](=O)[O-])c1 1651826729 AAXOMJMALZOEON-UHFFFAOYSA-N 440.279 2.323 30 10 IEEE C=CCCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1652014203 VPPBONMASDRPOK-HNNXBMFYSA-N 426.535 2.400 30 10 IEEE CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1655341686 URHKWCSJFZZCCC-IAGOWNOFSA-N 439.516 2.383 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 1665578581 CQCXQDOZTCNEGM-SFHVURJKSA-N 448.589 2.357 30 10 IEEE CC(=O)Nc1cccc2c1CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1671494685 CXTWQNKOSHIPMG-QFBILLFUSA-N 427.505 2.472 30 10 IEEE C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 1681362502 BTOZQANHRDZKSA-AUUYWEPGSA-N 441.511 2.329 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCC/C=C/c3ccc(Br)cc3)C2)c(=O)nc1O 1683019197 LDEBBTHNXDVDDN-HNQUOIGGSA-N 444.289 2.253 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)s1 1686839516 JSFMIUPDGDLGLG-UHFFFAOYSA-N 430.555 2.325 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCn1cc(Br)cn1 1689827146 AOEFGJLWHINPFT-ZIAGYGMSSA-N 425.331 2.119 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)nc1 1690072925 ZIJBCGXCNGRJNU-UHFFFAOYSA-N 439.545 2.150 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1690126196 VLFZQUIUAFDDQA-GOSISDBHSA-N 426.540 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2scnc2C)CC1 1690146543 QDFRCPPELFPTOC-GOSISDBHSA-N 442.589 2.146 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690170777 QEWGEEUDFXDTGE-IBGZPJMESA-N 437.573 2.425 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690480158 AQFOEKCKNHUMCY-INIZCTEOSA-N 445.593 2.261 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1690663901 HWMPZAKSPBZCRI-FQEVSTJZSA-N 434.903 2.002 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1690681312 MWDLLTIPDGILGG-UHFFFAOYSA-N 438.576 2.054 30 10 IEEE CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1692446358 CYSDHCJJKPWLFC-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1692617126 QIXINUJHOQDRTC-ICSRJNTNSA-N 438.532 2.259 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1692659929 BAIWMFIRAURWAX-DLBZAZTESA-N 441.561 2.080 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CCN1CCOC 1694923966 IAJHTTKJPNHCLX-WOJBJXKFSA-N 430.528 2.348 30 10 IEEE CCCNC(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1695428809 PXJDBMIYDZWKNA-VXKWHMMOSA-N 432.569 2.365 30 10 IEEE CN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1696740118 FHTKDNMSKIZMTO-LJQANCHMSA-N 428.562 2.477 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(C)CN(C)C1=O 1698058170 BJYPMZWHOXGPPK-QHCPKHFHSA-N 448.531 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1705478215 YBIIQSJVFDAVCS-CVEARBPZSA-N 435.525 2.051 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1705493513 KCWPMFRZFWFUSZ-GOEBONIOSA-N 426.487 2.352 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2ccc(C(N)=O)nc2)c1 1705506949 MTLOOHVCOAOELI-UHFFFAOYSA-N 443.511 2.144 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C(=O)NC 1705516697 HKEZCSHRLUBSOL-SFHVURJKSA-N 438.580 2.074 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705566728 QTXMWKSOVALLSC-INIZCTEOSA-N 434.949 2.493 30 10 IEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705616248 ZUVIJOORSFIXQA-QGZVFWFLSA-N 440.573 2.091 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cc(C)nn2C)CC1 1705650787 ZHQKINZTSMFPFC-UHFFFAOYSA-N 449.534 2.064 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccccc2)C1 1705652141 QUXGWWUJTKCZOT-PKOBYXMFSA-N 447.630 2.324 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCOCC1 1705678758 OFTWOXLFDQNSII-CNNODRBYSA-N 432.565 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705701090 CGFZSQGZVXCMIZ-HLIPFELVSA-N 433.578 2.114 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705861301 BAEULELUAFRPTJ-MOPGFXCFSA-N 438.532 2.353 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1705883216 ABDACNBCSGDUNQ-UHFFFAOYSA-N 448.531 2.036 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)C1 1705925764 TZHKDVZJYMIZRU-YOEHRIQHSA-N 438.500 2.288 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705945326 IEPFIKVQIXMYQH-DLBZAZTESA-N 428.624 2.495 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1706069789 HPIKWMNPLKOWMP-HUUCEWRRSA-N 427.534 2.081 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNC(=O)C(C)C)CCOC1 1706668400 AIXJQFVTORVQRX-JOCHJYFZSA-N 432.569 2.221 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC(C)(C)O1 1708175384 FBRSRUIXNLQKKK-DOTOQJQBSA-N 429.546 2.255 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1708254492 HOLXSPGVFYWCBE-NUJGCVRESA-N 426.521 2.101 30 10 IEEE CC/C=C\Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1709381729 FETXNZRSALECNE-AWFCHZOYSA-N 429.550 2.242 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722341320 DNMCJEQYWWMVTN-KRWDZBQOSA-N 442.564 2.373 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722357107 ZVTIBDURGDCGLS-LEWJYISDSA-N 441.601 2.337 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C2CC2)CC1 1722576026 HNGDZOKAZZYTDD-UHFFFAOYSA-N 443.573 2.277 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722606233 IMDXJEUAZNDUSO-NRFANRHFSA-N 428.562 2.485 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C1CC1 1722661304 ZTQPGGUTFFTYLO-UHFFFAOYSA-N 428.562 2.294 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@](C)(CC)C1 1722692450 MMMNXTRWZHWZPB-HSZRJFAPSA-N 440.548 2.455 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCC2)CC1 1722706445 SBNVBGJCFSZYDJ-UHFFFAOYSA-N 438.576 2.396 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(COC)CCOCC2)C1 1722720461 CNGSZDQRQUJCTP-HXUWFJFHSA-N 427.549 2.488 30 10 IEEE CC(=O)N1CCC(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1722761242 AULYBQIFESBIEE-JOCHJYFZSA-N 436.560 2.441 30 10 IEEE Cc1c(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cnn1CC(C)C 1724148919 NHTBOOKPRWTLCO-OAQYLSRUSA-N 428.516 2.052 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](c3ccsc3)N(C)C)CC2)c1C#N 1725861155 FITHIQIHWRAPMI-LJQANCHMSA-N 439.593 2.191 30 10 IEEE CN(CCN1CCOCC1)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1729545053 OLQMHDHANHIBNS-UHFFFAOYSA-N 440.479 2.278 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740575260 RFUCZLXKPJQNRK-ZNMIVQPWSA-N 434.484 2.140 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740576279 TZQLNBWIMJBVRV-HZPDHXFCSA-N 427.471 2.480 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740618153 CXQTVCDQUXHERF-PKOBYXMFSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740619452 IUZCOURETFZENN-ICSRJNTNSA-N 427.574 2.056 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N(C)C 1740655668 FFMOAOAQTPVDHO-WOJBJXKFSA-N 433.622 2.010 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740668829 BIJRTAHUPIKFEZ-UHFFFAOYSA-N 435.532 2.363 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nncn1CC 1740681324 HBMYZSHPKINLRU-UHFFFAOYSA-N 429.912 2.353 30 10 IEEE C=C(Br)Cn1c(N2CCO[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740749640 AYQOWMWTEBHSRW-MAUKXSAKSA-N 445.358 2.079 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ncccc2Cl)C1 1740970254 IDGUHRUSGIYVAS-OAHLLOKOSA-N 434.928 2.325 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1741657855 HPQZWPKKBUDIBM-JOCHJYFZSA-N 439.495 2.033 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)cs1 1742562337 WZRMPVPWQNYGAN-INIZCTEOSA-N 430.626 2.398 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCCOC(F)F 1743229991 AVNVGOQGIPERLF-AWEZNQCLSA-N 432.479 2.237 30 10 IEEE CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1745034437 CMGCFJDCZVOERS-BSMWSGRKSA-N 430.553 2.397 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCn2cnnn2)c1 1748692257 FJMWCJJKETVQNZ-UHFFFAOYSA-N 433.520 2.069 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C(N)=O)cc1 1750448658 HZYYCTLHPGZSOL-UHFFFAOYSA-N 444.543 2.316 30 10 IEEE C#CCCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760159295 BPUAFMOMKQZHQY-CVDCTZTESA-N 431.581 2.425 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760277303 GRJLCLOCMQMIMY-GOSISDBHSA-N 434.587 2.334 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1760313971 ROEOORVTJRCWTK-OTWHNJEPSA-N 435.569 2.028 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc([C@H](C)OC)n2)CC1 1760381817 BCJMQBWOLKLXIK-KBPBESRZSA-N 440.595 2.257 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@@H]1C 1760502531 BXKGIIJHCLDROT-JPYJTQIMSA-N 438.532 2.310 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1760523856 JKTLMXBZVQDURE-FQEVSTJZSA-N 438.576 2.185 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OCC)C1 1765671547 BZKYVUSLGOIGHX-GOSISDBHSA-N 446.577 2.150 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)C1CCCC1 1766408029 TVSPCTOPAWXZDA-UHFFFAOYSA-N 438.580 2.282 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CC1 1766611058 UZHHUFSDLRQXKI-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE CN(C)C(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766864020 CBUGZEMXJSHGMN-UXHICEINSA-N 438.532 2.448 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)N(C)C 1767342143 RSLDZFPGZGABLP-LJQANCHMSA-N 430.578 2.028 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1769274668 RYRWUBZZNKOALO-KRWDZBQOSA-N 425.472 2.035 30 10 IEEE CO[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1769670229 FOYAZBCFBNMLFV-FQEVSTJZSA-N 433.516 2.470 30 10 IEEE COc1ccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1770002947 ZBGGNHZFCXFVDU-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1(C)C 1770657890 KUABVYOQUGUHCO-IBGZPJMESA-N 440.548 2.362 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@@H]2CCCN2c2ccccn2)cc1 1851514718 TVCPEZDCYGIXCO-VXKWHMMOSA-N 436.512 2.245 30 10 IEEE O=C([C@H]1CC(=O)N([C@@H]2CCc3ccccc32)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851944006 GOEKDEQVRMKQEP-DZGCQCFKSA-N 443.447 2.393 30 10 IEEE C[C@H](C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)c(C#N)cc1C#N)[C@@H]1CCOC1 1852908026 UIJJQFPWVOVRGX-DLBZAZTESA-N 431.500 2.158 30 10 IEEE C[C@]1(N(Cc2ccc(Br)cc2)C(=O)c2cnc(C#N)nc2)CCS(=O)(=O)C1 1853413045 HHKUPFJEKWAXSM-SFHVURJKSA-N 449.330 2.330 30 10 IEEE Cn1nncc1CN(C(=O)CC#N)[C@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1 1853550067 RIYQNLFICPGVLI-SFHVURJKSA-N 441.499 2.046 30 10 IEEE C=CCN(Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 1853561764 OVKXQCMWALQBOL-SFHVURJKSA-N 443.569 2.282 30 10 IEEE CCCc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854033002 ROSJYFJEPZNEPQ-UHFFFAOYSA-N 425.510 2.113 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CCc4ccccc43)C2)CC1 1857017750 CAXVKSSDAZJEDK-RBUKOAKNSA-N 429.542 2.047 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)[C@H](C)C2=O)cc1C#N 1857078170 YOWDHIXQKPQFEC-OAHLLOKOSA-N 429.473 2.209 30 10 IEEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCO[C@H](C(F)(F)F)C3)ccc21 1857347659 UHFQIHRJOMGWNM-HNNXBMFYSA-N 432.420 2.020 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(O)c1 1862627815 QRYXOHRODXEBFD-HXUWFJFHSA-N 440.452 2.357 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1866866240 GEUCMRZOMQJNAX-MOPGFXCFSA-N 437.525 2.012 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2cc(F)ccc2F)CC1 1866869337 ZVTHOWNJOYWYPC-QZTJIDSGSA-N 448.495 2.419 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868743394 JKVMSJOCNJQHPZ-HXUWFJFHSA-N 449.573 2.294 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1886243518 DAERAQPQDHCQDQ-CYBMUJFWSA-N 426.429 2.004 30 10 IEEE COc1cc(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1F 1890179949 OCZVIPHXTPBFFZ-UHFFFAOYSA-N 431.552 2.025 30 10 IEEE C=C(CS(=O)(=O)N[C@H](CCO)COCc1ccccc1)B1OC(C)(C)C(C)(C)O1 1902881492 RUVQPGUVWUYNBI-GOSISDBHSA-N 425.356 2.061 30 10 IEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060724333 WFVUOQJBSILVCO-QUCCMNQESA-N 438.532 2.222 30 10 IEEE COc1ccc(CNC(=NCC[C@H]2COCCO2)N2CCN(c3ccccn3)CC2)cc1 2087918177 RXYPWBZLTPXEDM-QFIPXVFZSA-N 439.560 2.164 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2248482144 TTWONAGHMAQFTC-RYUDHWBXSA-N 438.252 2.107 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255697376 HDCMJXZQYVFGJQ-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE Cc1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2256926515 BOUPWHLDDQMJRO-OAHLLOKOSA-N 446.334 2.151 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256930110 ZVJHUJXWWMLYOP-CZUORRHYSA-N 446.334 2.231 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258877356 ZIBYILWVAMSUNV-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2267120392 JVJNWBURGIWEFT-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2267170319 UNEFQQLARDKGML-MRXNPFEDSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267521412 RSDICWJTYHVSRJ-CQSZACIVSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267525807 JOPBORMCLVUDTR-PEBXRYMYSA-N 446.357 2.086 30 10 IEEE C[C@H]1COC[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N1C(=O)OC(C)(C)C 2268645546 FUZIGTWRVCLFDA-GJZGRUSLSA-N 447.341 2.344 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2CC3(C2)OCCO3)OC1(C)C 2282499800 FVXZZJABTTWXKY-UHFFFAOYSA-N 443.758 2.071 30 10 IEEE COc1ccccc1[C@@H]1C(=C(O)c2c(C)nn(C)c2C)C(=O)C(=O)N1CCCN(C)C 2296626445 VELKAUBCTFNVNE-HXUWFJFHSA-N 426.517 2.419 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2312856941 ZRDHBQOVYPJRDV-CWRNSKLLSA-N 429.326 2.118 30 10 IEEE Oc1c(Br)cc(Cl)cc1C=NNC(=S)NCCCN1CCOCC1 2330468185 BFUXSBHSESRSPL-UHFFFAOYSA-N 435.775 2.328 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2ccc(C#N)c(Br)c2)C1 2379813147 HFLIEOVETLOMKZ-INIZCTEOSA-N 435.322 2.492 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 60519506 KRYODUZZFPLVHH-UHFFFAOYSA-N 426.542 2.274 30 10 IEEE COc1ccc([C@@H]2c3c(nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1 72444806 HWGAJXJRRDRQLP-RGFKIIKPSA-N 437.500 2.493 30 10 IEEE O=C(O)CN1C(=O)C(=O)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 103100590 LUAZUANTMXRDIM-CFBLSMTOSA-N 427.325 2.009 30 10 IEEE C#CCSCCNS(=O)(=O)c1c(Br)cc(N)cc1Br 231932181 QYSTXRVOBVLUFD-UHFFFAOYSA-N 428.171 2.439 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccnn2C)c(=O)n1C1CC1 430975987 DMCGSJHRBPQIOR-UHFFFAOYSA-N 447.564 2.065 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C[C@H]3CCCO3)c2=O)nc1 446112590 QCIYYRXKRGIEAJ-LJQANCHMSA-N 449.507 2.317 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 463265118 ICXLQUDZHLALET-UHFFFAOYSA-N 440.523 2.202 30 10 IEEE COc1ccc([C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)N2CCOCC2)cc1 478131411 IDWYXEAYOBAZHJ-NRFANRHFSA-N 433.505 2.199 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 481916592 DQCWASPSFKEHCU-RIFZZMRRSA-N 446.598 2.486 30 10 IEEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508848430 NEBPWCKYRWSEJC-UHFFFAOYSA-N 444.499 2.206 30 10 IEEE N#C[C@@H](C(=O)c1cccc(-n2cncn2)c1)c1nnc(N2CCOCC2)n1-c1ccccc1 522480987 SJDHFYRCMCGBBU-FQEVSTJZSA-N 440.467 2.175 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 534105225 FKYNXJMFOTYWHL-MSOLQXFVSA-N 440.500 2.486 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC2 534450005 WNYAFPCNCSJOGH-UHFFFAOYSA-N 425.510 2.241 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(C(=O)CCc4ccccc4)C3)CC2)n1 544857559 SKWNPKSHXRGBLS-NRFANRHFSA-N 432.528 2.019 30 10 IEEE N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)CC2)n1 544871647 KBHTWHMAPVRANZ-QGZVFWFLSA-N 440.301 2.170 30 10 IEEE Cc1c(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cccc1C(=O)N1CCOCC1 544881506 LKXXCGQAVUOKQU-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE C=CCn1c(Cc2noc(-c3ccc4c(c3)NC(=O)C4(C)C)n2)nnc1N1CCOCC1 550982415 KUQDKUHGZACWGE-UHFFFAOYSA-N 435.488 2.171 30 10 IEEE COCCOc1cccc(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 603817755 RQJQIGSKGSCFOD-UHFFFAOYSA-N 425.489 2.481 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 619104122 NYSKSZRCGFJJGB-UHFFFAOYSA-N 439.541 2.090 30 10 IEEE NCC#Cc1cc(Cl)ccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703978554 BZFPQFMIUBAVJB-UHFFFAOYSA-N 431.901 2.078 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 735671191 BERQRDRVWICFGL-KRWDZBQOSA-N 447.582 2.338 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 744782212 YPGIDGQOUKQTTJ-KHYOSLBOSA-N 441.575 2.277 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccn(C)c2)C1=O 748095586 NZYZNEMAKSSYLY-LJQANCHMSA-N 438.557 2.096 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2c(C)cccc2C)C1 760290981 ALPLDVLWRCVZTB-JKSUJKDBSA-N 431.562 2.175 30 10 IEEE Cc1cc(NC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)nn1CCC#N 768089908 NIGGVSVQDFDNDT-KRWDZBQOSA-N 440.504 2.426 30 10 IEEE CNC(=O)COc1cccc(CC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 772351823 GVCZWGXJNBKISL-WCCYLALTSA-N 429.517 2.216 30 10 IEEE CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780954745 QYXUOOFREBIRQT-FQEVSTJZSA-N 437.477 2.499 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cscc2C)cn1 783007008 PASUKUQPPDIADV-QGZVFWFLSA-N 448.618 2.473 30 10 IEEE N#Cc1cc(F)c([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)C(F)(F)F)c(F)c1 783808041 IJXRZWIPTCOOHZ-PTRXPTGYSA-N 433.280 2.354 30 10 IEEE Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1C 792221229 JDWJDHBQBPKXSK-SFHVURJKSA-N 426.908 2.280 30 10 IEEE Cc1cnc2c(S(=O)(=O)NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cccc2c1 793118981 XFQZQVBNFDXXPE-UHFFFAOYSA-N 439.497 2.433 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2sc(S(N)(=O)=O)cc2C)C1=O 793985549 CVZSRJOMKWXHNU-QGZVFWFLSA-N 430.552 2.020 30 10 IEEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 798224210 BBOVYBWAJLMZJP-UHFFFAOYSA-N 434.562 2.015 30 10 IEEE C=CCN1CC[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 798562311 VEQKQXPSCVNNBK-QGZVFWFLSA-N 426.922 2.071 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 804462017 AXICNWHFCPYKSA-GOSISDBHSA-N 435.521 2.192 30 10 IEEE CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1 807933027 PUFUTKUDBKUHBH-KRWDZBQOSA-N 428.518 2.014 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](CC)OC)c1 809944452 WTSFUMHIARXKCI-MOPGFXCFSA-N 430.574 2.092 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1Br 813093799 GLXGACJEXQJEKK-LBPRGKRZSA-N 440.241 2.152 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2C1=O 918812612 QPZNLEHOMDFICH-HNAYVOBHSA-N 428.485 2.337 30 10 IEEE C[C@@H]1CCCN(C(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)C1 1084165565 VUAWMDNSJAUHML-LLVKDONJSA-N 448.465 2.418 30 10 IEEE C[C@H]1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCN1C(=O)c1cscn1 1129613341 PDWKLYYQQRKBKH-GOEBONIOSA-N 427.505 2.353 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)C1=O 1132108505 YAZSIWQBAHNOSB-JSGCOSHPSA-N 434.290 2.130 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)o1 1156247740 QMUWMYKEANFRPF-HNNXBMFYSA-N 431.518 2.340 30 10 IEEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1159132130 FBAFSEAJCKFDLC-BEFAXECRSA-N 428.920 2.328 30 10 IEEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(N2CCNC2=O)cc1 1162868663 YSAKPSVFXKRHIR-ZDUSSCGKSA-N 430.461 2.144 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 1166622346 CWSBYFHNERVMAM-SFHVURJKSA-N 440.573 2.299 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1198555026 VXDMNAVABNOWBJ-WMZHIEFXSA-N 433.597 2.154 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)cc2C1=O 1279840526 GMTKECAGYQWDEH-UHFFFAOYSA-N 431.489 2.082 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nncn2C)CC1 1286484073 HFLVZGFTNCZNPN-UHFFFAOYSA-N 442.980 2.156 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H]1C 1286798523 ISISGHLWAAUUPM-AEFFLSMTSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccccc2)C1 1286819094 ZWCRHSQSKAQVQX-SFHVURJKSA-N 426.546 2.273 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286832706 NKQBZKJHCJYKOA-WBVHZDCISA-N 436.607 2.174 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300421504 IPGAAUBNAVHSJA-UHFFFAOYSA-N 445.589 2.487 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300498439 KFLXOXSXLFRSBI-FQEVSTJZSA-N 439.516 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(N)=O)cc1 1300541181 MZMFKEPKQOZIFH-UHFFFAOYSA-N 438.495 2.128 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1300595034 FQNKWWBTDVOCFP-SFHVURJKSA-N 440.548 2.115 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1CC 1300618940 PGJXKRHSLFTKBA-UHFFFAOYSA-N 445.531 2.184 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1300630556 DSFHINWYBQNWTB-KZNAEPCWSA-N 433.553 2.471 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCC[C@H]2C)n1 1300681433 PEQNBBUQJKVHOU-DVECYGJZSA-N 449.559 2.374 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2CC(F)(F)C2)CC1 1300727346 XVJWNQXHZQGWFO-UHFFFAOYSA-N 428.487 2.275 30 10 IEEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1301043723 CCMFQNMKZDXJQL-MRXNPFEDSA-N 434.006 2.106 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1301244941 AJGOTMANPUEKTH-UHFFFAOYSA-N 445.520 2.443 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1301415664 ZBAVPKWKVVYSCL-INIZCTEOSA-N 449.533 2.317 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)C[C@H]1C 1301484752 MJDGQEXRSGTKHY-OAHLLOKOSA-N 442.589 2.245 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(C)O)c2)C1 1301567995 ZYBXFSIFINGKTO-HXUWFJFHSA-N 439.560 2.458 30 10 IEEE COCCCN(C)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1301607240 JNVQPCKJQZGBLD-IBGZPJMESA-N 449.559 2.499 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1301653865 UUZMJEPCLIQIMU-UHFFFAOYSA-N 440.548 2.066 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCOC[C@H](C4CCC4)C3)n2CCOCCCO)c1 1302989051 HDDOKGUPQBGHAO-OAQYLSRUSA-N 425.533 2.469 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1303307620 FGILRFIDMVPWOL-LNVKXUELSA-N 449.559 2.392 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1305630588 WXGLTRIXWSZQHW-BMGDILEWSA-N 438.488 2.236 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1313962968 BPKLHQGRQYVCDK-LJQANCHMSA-N 440.548 2.221 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2cccc(F)c2F)c1=O 1319671401 HWPGIVQMZQPFRG-UHFFFAOYSA-N 440.475 2.266 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2=O)cc1 1334175830 YINBGQSRILQVAY-SJLPKXTDSA-N 442.541 2.324 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)O)c(C(F)(F)F)c1 1348801248 ILTIVLWGUBNAGU-HNNXBMFYSA-N 426.372 2.483 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358884123 JAHGEQQMAWOCHX-RTBURBONSA-N 447.543 2.084 30 10 IEEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1358920199 UXIBQEYKKYTBOC-KRWDZBQOSA-N 428.581 2.145 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCc1cnn(C)n1 1358953392 VZJLPPDACQQCKA-UHFFFAOYSA-N 444.337 2.450 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN(C)C(=O)OC(C)(C)C 1358970407 NVPJLAPABXHXHA-QHCPKHFHSA-N 445.564 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1358986158 PCPMKQDUPJNQSH-MSOLQXFVSA-N 444.532 2.455 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359095636 QBPFBNBRWQNJOL-WOJBJXKFSA-N 445.589 2.398 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359099582 QGISXBFEPJAETE-IEBWSBKVSA-N 439.626 2.320 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1359231857 HPFADAUBIADWCS-HSZRJFAPSA-N 442.564 2.221 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1359239972 CACUWPYZKMEIPL-IBGZPJMESA-N 445.545 2.336 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OC(C)(C)C)CC1 1359298514 CFCXVTVYGPBAJA-UHFFFAOYSA-N 444.536 2.092 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(COC)c2)C1 1359319513 AJPWEVLYAPEDHD-PKOBYXMFSA-N 429.496 2.344 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)c1ccc(F)c(S(=O)(=O)N3CCCCC3)c1)CC(=O)N2 1436602904 BAWDPNVXSMJUSD-UHFFFAOYSA-N 442.472 2.471 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CSC[C@@H]3C(=O)N3CCCC3)C2)C1 1440744363 DAWXLRBKZFBXAO-QNOZYLDQSA-N 448.589 2.297 30 10 IEEE CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1443909659 AWQNKOCUCCHTNW-KDOFPFPSSA-N 435.546 2.332 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c1 1447653259 WPPJOSSEOBWRFC-QGZVFWFLSA-N 447.557 2.470 30 10 IEEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 1460911051 CNBWBDRFTMDTLK-WOJBJXKFSA-N 433.549 2.450 30 10 IEEE CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Cn1cc(C#N)c(O)nc1=O 1464470069 RMGBVOKEGFUOKZ-UHFFFAOYSA-N 438.463 2.221 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1 1466568400 BNNOBCFQCMLIOR-SMDDNHRTSA-N 426.470 2.110 30 10 IEEE C=C(CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccccc1 1468713392 IZNCFOGYPNJSCS-GUDVDZBRSA-N 434.558 2.486 30 10 IEEE Cc1cccc([C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(=O)OC(C)(C)C)c1 1472172628 DLYNIASUNSAHAM-FQEVSTJZSA-N 443.525 2.344 30 10 IEEE C#CCC1(NC(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CCC1 1477755359 GAMMBASDNIQJPZ-UHFFFAOYSA-N 426.561 2.017 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1501217634 AQIYTODMQWIGJV-UZLBHIALSA-N 438.532 2.259 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(NC(C)=O)cc1 1503067110 FXBHTLZTZRIQGS-UHFFFAOYSA-N 447.499 2.356 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C#N)o1 1503790425 ABGRAFWFBFEMRW-UHFFFAOYSA-N 438.488 2.438 30 10 IEEE COc1ccc(COCCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1504284578 GOFDEOLNUAPUKP-WOJBJXKFSA-N 427.505 2.474 30 10 IEEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1504820901 PJKUAGZKSPNVAK-UHFFFAOYSA-N 425.537 2.041 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1507628479 HSVHPBPWCIGGII-INIZCTEOSA-N 427.555 2.271 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1507634303 MHEOZHKOSQGBLX-LJQANCHMSA-N 445.589 2.335 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1507636592 BBRKFHCVNUEPIQ-SFHVURJKSA-N 436.965 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@@H]1C 1507653835 VTBNOFPEHFZUTP-IBGZPJMESA-N 443.555 2.232 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1507681762 AUZSOJHLHGPGDE-UHFFFAOYSA-N 446.349 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(CC)C1 1507704292 WNEKGLIPGRZFGU-MRXNPFEDSA-N 449.397 2.474 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1507718090 AZIIMEDEUXTHHS-HFMPRLQTSA-N 446.640 2.268 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1NC(=O)CC1(C)C 1507970020 CEIJVJKHMPEQDY-HNNXBMFYSA-N 445.593 2.084 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOCC2)C1 1508118504 RWFQLPCWHZHALK-HXUWFJFHSA-N 442.520 2.357 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1508155121 JBYGJUDRZPTLOA-CYBMUJFWSA-N 427.534 2.213 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCSCC1 1519423349 CVJJDBGXECEMMY-ROUUACIJSA-N 434.610 2.181 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCOCC(F)F)cc1 1521095566 MXEYUHHYYFFTCJ-MSOLQXFVSA-N 433.459 2.483 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)cn1 1528287220 OMKNEUFBHWRLSE-UHFFFAOYSA-N 436.497 2.250 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(CC#N)cc3)c2)C[C@H](C)O1 1529870005 GOTMEYVUNVGFRE-IRXDYDNUSA-N 427.526 2.481 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)CC2=O)cn1 1536467697 RDMFGTDIFFYFNM-QAPCUYQASA-N 435.406 2.174 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1536950273 CCQBOFPPPHWFSC-UHFFFAOYSA-N 433.350 2.196 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539124671 HEVBHNRLHYMZLI-LPHOPBHVSA-N 430.530 2.217 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1539172061 SSKKNTYYJKSYBB-UHFFFAOYSA-N 435.532 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOCC1(C)C 1539241723 IUPIRYJVZJTYJA-UHFFFAOYSA-N 445.365 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1ccco1 1539325793 NQWQTLJKIMLVRL-OAQYLSRUSA-N 445.479 2.277 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cc(C)cn2)CC1 1539428316 QFVWEXNDRYZHQK-UHFFFAOYSA-N 446.559 2.108 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)N(C)CC)CC1 1539462111 BSWFQTLBESZDNW-UHFFFAOYSA-N 447.008 2.457 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1539539681 XACKEGKSODBDSA-JLTOFOAXSA-N 437.516 2.401 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnccn2)CC1 1539752437 NQTLPXNFTNMVJP-UHFFFAOYSA-N 440.577 2.343 30 10 IEEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1539774730 DKOKUCYAQGRAFC-ZDUSSCGKSA-N 431.921 2.295 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)on1 1540126640 IUYYPXJOPPMUOH-INIZCTEOSA-N 430.534 2.426 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1540129506 WHCLIYHJQMHOQQ-IBGZPJMESA-N 441.557 2.159 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540858268 OQWURXQRQKZNHF-KTGAGVNESA-N 433.553 2.370 30 10 IEEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1541854222 REAXNIUUBHCMOX-ZACQAIPSSA-N 434.541 2.156 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1545000642 NOLHFWYRNKCHOJ-MVZUJROASA-N 442.545 2.072 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1552379528 HAUQARGVATUDLF-HUUCEWRRSA-N 434.591 2.086 30 10 IEEE CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1554174452 DQBZIBOMCPHMRX-XUTLUUPISA-N 433.472 2.142 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)c1ccccc1 1584688217 XCJHSGKELMIAKI-GOSISDBHSA-N 444.509 2.348 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N1CCO[C@@](C)(C#N)C1 1585431342 DDDDJIMBAOCUBG-MJGOQNOKSA-N 433.306 2.119 30 10 IEEE C#C[C@H](NC(=O)CCSCC(=O)Nc1ccc(C(=O)OCC)cc1)C1CCOCC1 1586730992 ZEFHRUKOOGTKGA-IBGZPJMESA-N 432.542 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC=C)c1 1587692935 MSISTTRUBGACMZ-GOSISDBHSA-N 441.557 2.203 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1587808598 UKMVLIXGIWSXTQ-MOPGFXCFSA-N 444.605 2.012 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(CCN(C)C)CC1 1587932427 SUZPMVRKJNFEDI-UHFFFAOYSA-N 425.537 2.196 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1588099793 ZDNIDUPKQGFMJR-DVECYGJZSA-N 436.512 2.373 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1588458600 HPGMHMWKOCUUEL-PNLZDCPESA-N 433.553 2.350 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)CN2CCOCC2)CC1 1588791198 OWWOUAXNNDNNIV-IBGZPJMESA-N 442.995 2.322 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(C)CCOCC2)CC1 1588955024 OBYUEVSJAOWSGE-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)C1 1595789730 ARISNJOMPZMVQV-SFHVURJKSA-N 441.509 2.044 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1595797837 JFNVLIWVUCNHGT-UHFFFAOYSA-N 426.583 2.372 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(N2CCNC2=O)CC1 1595889907 CBPQUVUKVJSIIN-UHFFFAOYSA-N 427.578 2.177 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1596421298 ICSXZUXTGHGZSA-IBGZPJMESA-N 438.923 2.472 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1611308672 RUPJNHBDLHVDLC-CRAIPNDOSA-N 445.545 2.012 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1614224118 HCEXLRCVNYWZEM-MBOBHEEDSA-N 436.516 2.395 30 10 IEEE COc1cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)Nc4ccccc4)[C@H]3S2)cc(OC)c1 1616175067 MJLNRAVRFYYLLZ-OMQSBVIBSA-N 443.525 2.145 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1619666433 NOLJEGYONHVVMP-SFHVURJKSA-N 427.530 2.034 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(S(C)(=O)=O)cc1 1620084819 LHCGXWABXMBPRN-AYBZRNKSSA-N 447.561 2.050 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nccs2)CCO1 1620354340 CAANCXVKPBTRQE-LBPRGKRZSA-N 434.323 2.464 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1620356249 VDVLGBYLSFISCA-DLBZAZTESA-N 442.486 2.175 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(C)cc1Br 1621673202 FHDWIRBMPANWOL-LLVKDONJSA-N 440.768 2.222 30 10 IEEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1624303047 DNRZVPZXUVJTGO-MAUKXSAKSA-N 426.510 2.241 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1630585161 HUSJSKRLCHBGTH-HUUCEWRRSA-N 434.928 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 1631151381 LXQBVLYKSLLWRT-SFHVURJKSA-N 430.505 2.264 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 1633522667 NMHVAHNQVUVOLJ-MRXNPFEDSA-N 429.583 2.408 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1638151881 OFJYXRZPDJAOKU-BDAKNGLRSA-N 427.292 2.210 30 10 IEEE C=CC(C)(C)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1638848750 YPHGXWFMBKECAF-UHFFFAOYSA-N 438.550 2.486 30 10 IEEE CC[C@H](CC#N)NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1643344094 FGZHKJSDMGJMAW-NGWPFTMJSA-N 446.554 2.015 30 10 IEEE CN(CCc1ccc2c(c1)OCO2)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1644528177 AZGIVXSWALCFFZ-SFHVURJKSA-N 426.542 2.360 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)OCC 1655358393 GAZCPABQQLDAOA-LBPRGKRZSA-N 434.308 2.397 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 1660441978 PPFIKTPNYORPCM-UHFFFAOYSA-N 449.573 2.432 30 10 IEEE C=CCN(CCOC)C(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1673469206 RUGGMSLDVUDQOX-UHFFFAOYSA-N 425.327 2.394 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1683250854 DYEYPSANAVXYNC-UHFFFAOYSA-N 445.564 2.317 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)C1 1684083095 OVPJLPFBQREHJV-OALUTQOASA-N 446.979 2.367 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C[C@H]1CS(=O)(=O)C2 1686643771 CSDJHYCPQYNMAU-DNUAJFIVSA-N 438.347 2.275 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689994272 VIZKSVZYIVBNLK-TZIWHRDSSA-N 447.649 2.369 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1690108439 YWUPUWKQHIKZSZ-SFHVURJKSA-N 448.614 2.400 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnn(C)c2)CC1 1690134709 CDZYZYNWACKBRW-UHFFFAOYSA-N 437.573 2.116 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CC1 1690259790 WWLRJZFOGSGAII-SSEXGKCCSA-N 426.550 2.234 30 10 IEEE C=C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1690373594 GLBXBFQSROFMQJ-UHFFFAOYSA-N 425.624 2.471 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CS(C)(=O)=O)CC2)CC1 1690415049 VIMSBPLEWFETHJ-UHFFFAOYSA-N 432.594 2.367 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC2(CCOCC2)C1 1690675190 RPPKWHODNFOONG-UHFFFAOYSA-N 425.533 2.209 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1705564467 OPMAQVUQVGCHFW-GOSISDBHSA-N 431.562 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C)C1=O 1705588848 GFRMBXNISQMVHS-DEOSSOPVSA-N 432.528 2.088 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1sc(C)nc1C 1705626830 KJMYOEIJPXEMTC-UHFFFAOYSA-N 428.518 2.213 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705664026 VHLFWFOWTQXQLU-ICSRJNTNSA-N 439.585 2.153 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCNC(=O)C1 1705710576 YMWCFMMWPGQSFD-AVRDEDQJSA-N 425.533 2.337 30 10 IEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC=C(C)CC1 1705907604 RJBMYOUWXWDKMC-UHFFFAOYSA-N 449.603 2.101 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1Cc1ccc(C#N)o1 1706882682 VRMOBMDSYMBOCW-BBRMVZONSA-N 430.490 2.336 30 10 IEEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1711007541 ALGZDWOXGSBIAP-UHFFFAOYSA-N 447.543 2.447 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1711799441 UCKSEBYIINWCLS-NNMXDRDESA-N 429.496 2.054 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)C1 1712693962 CXWWLXBLLHHIBI-LJQANCHMSA-N 441.513 2.036 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCCOCC(F)F)cc1 1712879578 FYIFXLPEFAZFQV-OAQYLSRUSA-N 430.459 2.347 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1722282112 LMNLCUGSUVZKHS-PXNSSMCTSA-N 433.564 2.499 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1722459569 NJKTZFNFRHXFAY-QGZVFWFLSA-N 442.545 2.383 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722527036 WGKXKRKGYMUYCU-UHFFFAOYSA-N 443.577 2.380 30 10 IEEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722602349 XWUQNYGXDKBHJD-IBGZPJMESA-N 429.521 2.270 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1722617906 NVKTXDZRGPERCQ-SFHVURJKSA-N 445.589 2.482 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(C)C)C1 1722736694 FKZFEUJSOCLYCH-FHWLQOOXSA-N 440.610 2.475 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1729669220 FITQVPRRKHMSFL-HSZRJFAPSA-N 434.500 2.280 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1730536621 BPIDFWCRTDTFNO-LJQANCHMSA-N 435.488 2.104 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1740619410 ILNOGBXDLRDAML-QGZVFWFLSA-N 430.530 2.143 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1c(C)cccc1C 1740678597 PFINOTKVBJGXGC-UHFFFAOYSA-N 425.533 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1740707214 UDYZLUIZUUMHFQ-JTHBVZDNSA-N 448.571 2.211 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1740856732 WCDSSXJFARLAGT-OALUTQOASA-N 437.548 2.051 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740959024 IQCLIHGPCAPULD-UHFFFAOYSA-N 434.548 2.372 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)NC)c2)C1 1740982707 YZMPCQZWZZNKNS-OAQYLSRUSA-N 432.528 2.453 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1748716848 VXZQPAYQZVZRNQ-HSZRJFAPSA-N 434.500 2.287 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1748736318 YAABDUYEVZIYCE-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCN1CCOCC1 1748824466 CJECHDXGIXWRIO-UHFFFAOYSA-N 448.571 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(C)c1 1748892717 VZYYIMYKRKDJPP-UXHICEINSA-N 440.569 2.419 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749403085 WKSJIUNECQVPNX-IBGZPJMESA-N 439.564 2.349 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749426412 BHDWKSIYNROHJZ-KRWDZBQOSA-N 425.599 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)nc2)C1 1749697936 ORHKJWUTYWXGEU-XXBNENTESA-N 442.564 2.221 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1749714789 MOOTZFDBXFOQAO-YADHBBJMSA-N 440.592 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1749718686 HHFJDGSOKYSTEE-FGTMMUONSA-N 441.523 2.267 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1750068315 AGYPWZKQVPCLSD-QGZVFWFLSA-N 444.609 2.320 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(F)cc1F 1751212201 HZOIFDKOWUMGCL-ZDUSSCGKSA-N 438.504 2.345 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCOCC1 1760198516 KALYZYCHIPETRC-KRWDZBQOSA-N 427.936 2.401 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H]1OC 1760227124 VSMIZVIGNNZNEX-QUCCMNQESA-N 445.589 2.470 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=C)Br)CC1 1760261282 JYHJDSHOWYKEHE-GOSISDBHSA-N 444.333 2.454 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1760523473 ZLYHSCGPWHSRJB-UHFFFAOYSA-N 435.532 2.211 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COC)C1 1760533964 XOKAKSNGVCYODR-HKUYNNGSSA-N 446.573 2.266 30 10 IEEE Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1761881979 OFQJQNQIDTUZLR-AWEZNQCLSA-N 426.502 2.404 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1762284416 ZFOSESBNNSVNCC-MSUUIHNZSA-N 449.487 2.006 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1763283531 RSYFRNUOPLIVHS-KUOYXJDGSA-N 441.561 2.140 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 1765552080 CGSJKNILEDYTRG-DENIHFKCSA-N 437.592 2.315 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2c(F)cccc2F)CCOC1 1767481727 DLGDOBLJNLGRFU-BTYIYWSLSA-N 433.459 2.180 30 10 IEEE COc1ccc(OC)c(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1768713343 FTTSFZSPCVKNEL-LJQANCHMSA-N 437.504 2.057 30 10 IEEE COc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 1770294973 WEUADCGNELKQSA-DLBZAZTESA-N 447.561 2.396 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1770327272 VKZBBMGREHIRPQ-MRXNPFEDSA-N 442.545 2.370 30 10 IEEE COCc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1770849617 BQMHOKILMXMIGD-REWPJTCUSA-N 441.532 2.242 30 10 IEEE COc1nc(C)c(I)c(C)c1C(=O)NCC1(C#N)CCOCC1 1850414745 DLTCMVPVENFTGK-UHFFFAOYSA-N 429.258 2.362 30 10 IEEE Cc1cnc(C(F)(F)F)c(C(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)c1 1855719603 DJKOFMQCPUZALC-UHFFFAOYSA-N 438.387 2.256 30 10 IEEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1)CC2 1857219905 LVHDZFJGPIGWOH-JKSUJKDBSA-N 449.960 2.114 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccncc3)cn2)CC1 1858452350 BXOZHXFLHZXNED-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE Cc1ccsc1/C=N/Nc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873527269 RTRUWUGWSZEWJJ-NPVNMOQSSA-N 431.337 2.181 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H](CCS)C(=O)O)CCN(Cc2ccccc2)C1 1984835832 NAJKUFCXTCEKQQ-IERDGZPVSA-N 437.562 2.045 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987542576 LRDZEJNZWWWVGH-PMPSAXMXSA-N 427.542 2.332 30 10 IEEE CN([C@@H](CC#N)C(F)(F)F)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2108366286 MZWYUOQNCLVLHF-AWEZNQCLSA-N 431.436 2.415 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)nc2)OC1(C)C 2129065325 WIJDOYVXRJRJIU-RTWAWAEBSA-N 436.365 2.256 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1cc(Br)c(C#N)cc1F 2225624412 ATYSFRDLDLGBQG-QLFBSQMISA-N 430.274 2.213 30 10 IEEE C[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247922661 LKBYDZBZHLGCBK-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE CCCCN(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248434014 UBEDDWWLJQLUHY-UHFFFAOYSA-N 440.375 2.235 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255626918 LYFNTIUBUFGDRB-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255676373 PUVVNOATEDUNCI-GDBMZVCRSA-N 433.358 2.450 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CCNC(=O)OC(C)(C)C)C1 2255692609 BYOFRKMWODKAFL-UHFFFAOYSA-N 433.358 2.311 30 10 IEEE CCn1cc(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815514 OTFVHAUJLDKLHR-CQSZACIVSA-N 436.362 2.187 30 10 IEEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874455 VJOPULLYCGZFFS-GOEBONIOSA-N 433.358 2.452 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2256929865 WYXDTGKGYHQJSD-QGZVFWFLSA-N 444.362 2.362 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258892978 ZIBYILWVAMSUNV-HIFRSBDPSA-N 434.346 2.227 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267016066 YDMMKCYAXWCUMT-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267089365 CSCLRTUQMUUUPC-ZBFHGGJFSA-N 448.373 2.426 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267095349 MIRQFMPYDIVHNT-MHECFPHRSA-N 436.365 2.351 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267140219 OQBMMAGRGSGKAH-RBSFLKMASA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267145709 IMMTZMGBZWFRJQ-QFIPXVFZSA-N 448.373 2.476 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267148953 GRPSHUGWBNOXKG-GASCZTMLSA-N 448.373 2.235 30 10 IEEE Cc1c(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493848 NWDVBIMDAVIDMH-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523031 WWUZWISGCJOQOG-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2271751848 APWWQFLWCVFDMW-SFHVURJKSA-N 447.385 2.211 30 10 IEEE C#C[C@@H](C)N1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 2315337861 ZQWLXULFAGHJJI-QUCCMNQESA-N 443.544 2.179 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(F)cc1 2330748060 ZDFGZCIGEHZPCH-UHFFFAOYSA-N 433.494 2.123 30 10 IEEE CCC1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337182512 ABJMPHIJQVFOFG-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1C 2337283368 NUHBZBAFDFRCEJ-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342578639 NMIIXRLYEWJZKM-OAHLLOKOSA-N 434.165 2.430 30 10 IEEE Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)c1 20527359 XHWPEVRCUXIEAV-AWQFTUOYSA-N 442.461 2.091 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)c1OC 59015871 WJYCJCYRNMVIGD-LSHDLFTRSA-N 427.490 2.071 30 10 IEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1)c1ccc2c(c1)OCO2 254747439 FJPKCEIJFJMZNH-APWZRJJASA-N 444.534 2.369 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1Br 432869144 YUGYCAJYWWZOFV-UHFFFAOYSA-N 426.336 2.344 30 10 IEEE CC(C)c1nnc2n1CCN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)[C@@H]2C 439285548 OUPXASJYGAEQEE-XLIONFOSSA-N 439.539 2.326 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1 440313196 KBFUSAKXAKCLMR-MRXNPFEDSA-N 445.541 2.227 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 474638766 ZZQIUSLQFNBRLP-QGZVFWFLSA-N 431.562 2.089 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC/C=C/c2ccccc2)CC1 477491054 CSDQHXNLTMCPBK-RMKNXTFCSA-N 425.510 2.121 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1 480955800 HZPKREVGFSBTEM-KDOFPFPSSA-N 427.486 2.084 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 488720986 BIUOXNBKFWPIRV-UHFFFAOYSA-N 425.507 2.206 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(CC)nc3onc(CC(C)(C)C)c23)CC1 501536749 ZWAXITZYMHOUOB-UHFFFAOYSA-N 427.549 2.434 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4ccc(F)cc4C#N)CC3)C2=O)n(C)n1 506381263 XQPGZRIQSACAGA-LJQANCHMSA-N 439.495 2.084 30 10 IEEE CCOC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506939782 OXHGUAYBPCNPIS-UHFFFAOYSA-N 442.497 2.273 30 10 IEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508847781 WHTVKNLNLOOAFD-FQEVSTJZSA-N 439.560 2.333 30 10 IEEE C=CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 508930061 DBSASBLDCWOKHK-UHFFFAOYSA-N 446.502 2.337 30 10 IEEE COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 513010001 DMZGXNGSRWUQBQ-UHFFFAOYSA-N 443.463 2.180 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1 533222862 BTIXXOXAZPDGRO-JQJXBVGUSA-N 439.604 2.240 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 537161227 BMISIDNWBZFABL-QESAQDPVSA-N 442.535 2.341 30 10 IEEE N#Cc1ccncc1N1CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 573633862 BEMHPEDCGQHCQJ-QGZVFWFLSA-N 429.402 2.426 30 10 IEEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 576151142 ZYZJPINAIOXYCT-UHFFFAOYSA-N 431.562 2.356 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 577921801 WHMDFXAJBDZPDG-UHFFFAOYSA-N 426.542 2.432 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCCO3)CC2)n1 579688552 OGUIJLDEJPGSMA-FQEVSTJZSA-N 430.516 2.036 30 10 IEEE CCOC(=O)c1cnn(C2CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)c1C 580897084 AHTZEXLNSFWDQZ-UHFFFAOYSA-N 426.473 2.491 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)F)nc2)CC1 582372595 GPLGGIYWGKMJGX-UHFFFAOYSA-N 437.428 2.093 30 10 IEEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 603786012 FBBIUPRILTXUGP-UHFFFAOYSA-N 445.475 2.451 30 10 IEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670211071 UWXCUCKUEIAPAL-FXAWDEMLSA-N 428.606 2.495 30 10 IEEE CN(C(=O)c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CCCCC1 732707064 UBPGXFHHDXPSDI-LJQANCHMSA-N 437.544 2.229 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3cccs3)c2=O)cn1 735068248 GMJLEJKTFCOLIO-UHFFFAOYSA-N 438.578 2.498 30 10 IEEE C[C@H](CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)n1cccc1 735137368 CVWRVXORGGOEHZ-MRXNPFEDSA-N 437.456 2.451 30 10 IEEE Cc1nc(=NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)n(-c2ccc(C#N)cc2)[nH]1 740691061 ODKITWKDQKJDOD-UHFFFAOYSA-N 431.431 2.126 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccc(OC)c(C#N)c2)C1=O 746523350 STJJGFDERGFDQP-JEOADQEBSA-N 437.525 2.141 30 10 IEEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(F)cc2)c1=O 748063967 HISILQFEYHEAHT-UHFFFAOYSA-N 436.512 2.261 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C[C@H]1CCCO1 763304028 YHVJHDSZDIDEKL-CYBMUJFWSA-N 434.290 2.017 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)cn1 763712070 KRHUOLHOYXQZIS-JOCHJYFZSA-N 432.440 2.163 30 10 IEEE C[C@H](/N=C1\S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1)c1cccs1 766425367 ZXENOKLTZNAWTD-TWICSSCFSA-N 446.602 2.167 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 770890192 QTCCQVKISBNIFY-AWEZNQCLSA-N 448.501 2.319 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC2CC(C)(C)C2)C1=O 780322889 OGMZIPVJULYBBI-KYVIQDPYSA-N 445.633 2.428 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2ncccc2F)C1=O 790756201 FADOMTAIBJYDBQ-MRXNPFEDSA-N 435.550 2.482 30 10 IEEE C=CC[C@@]1(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 802288772 WOHGWXOLAWDJHV-NRFANRHFSA-N 441.594 2.359 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc1OC 1084614650 AJESTEJFWKNTQM-UHFFFAOYSA-N 441.517 2.114 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1180001260 ZAYSUUPWOVSEAX-FVNWOWOISA-N 427.501 2.070 30 10 IEEE C=C(Br)CNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1225432817 OKYKTGVOSHYWOD-GFCCVEGCSA-N 426.315 2.482 30 10 IEEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286338917 HFVPBVMDVZKXHA-CQSZACIVSA-N 447.312 2.474 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1286447836 NRKZLCNZAUMNDQ-CQSZACIVSA-N 442.463 2.429 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286508321 QOXRTCLUSMLQSP-MSOLQXFVSA-N 433.603 2.384 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1286580741 BOICSJNAPDKNTJ-HNNXBMFYSA-N 437.591 2.074 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286602198 UXVAJUUIYWRXIO-KRWDZBQOSA-N 429.525 2.182 30 10 IEEE C=CCCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1286704929 KBQAZLGQMBYLKH-FCHUYYIVSA-N 430.553 2.382 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286712329 WNKKRILEEONREC-FQEVSTJZSA-N 437.548 2.358 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1286713554 BYBZGZMSRGINML-DEOSSOPVSA-N 439.560 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)C1 1286801359 XZNLIQLSVVXSSO-CVEARBPZSA-N 438.525 2.383 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccc(C#N)o1 1288130613 YQBZDEZRRRVDEI-HNNXBMFYSA-N 441.536 2.060 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1288517209 AOBHKNWNYMKUKM-ZACQAIPSSA-N 443.577 2.103 30 10 IEEE Cc1cscc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1290354521 CZPDXBJIWUYLFB-QGZVFWFLSA-N 443.554 2.496 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCOC1 1296534819 ABAZBHYOHUDVIG-XZOQPEGZSA-N 441.532 2.244 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCN(CC)CC1 1300314794 JPWMVMHIPUZALV-HXUWFJFHSA-N 434.592 2.002 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300487748 MFRKAVIJUCFNHL-XMSQKQJNSA-N 445.589 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H](C)C1 1300528117 PZDYUJQBXFYHIS-QZTJIDSGSA-N 440.573 2.126 30 10 IEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNC(=O)C(C)C)CC1 1300695916 PIKIKGLXZRQBJZ-UHFFFAOYSA-N 433.560 2.344 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300767968 IIPJDUBQNSYDRG-IBGZPJMESA-N 432.615 2.443 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1300988801 JSDKUJZUYKHDBD-NRFANRHFSA-N 439.560 2.266 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1301490897 HUMZHYWALIUHKL-UHFFFAOYSA-N 439.470 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1csc(Br)c1 1301497639 ZNQRPBAMUKMXOW-UHFFFAOYSA-N 448.350 2.498 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301498442 OEVBRWQAIVNKAF-IBGZPJMESA-N 427.553 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccccn1 1301575026 AOIIBHDYLDSURS-UHFFFAOYSA-N 442.501 2.486 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1301602047 LWMUZFKDYKBSHC-QGZVFWFLSA-N 445.589 2.402 30 10 IEEE CONC(=O)C1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1303329082 ZEQCIKTWRMRIQM-LJQANCHMSA-N 442.516 2.309 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ncnn2C(C)(C)C)CCOC1 1303478967 SCFOGOYTCZTLJX-IERDGZPVSA-N 430.557 2.452 30 10 IEEE C#CCN(C(=O)Cc1csc(N2CCOCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656370 VJZLMHUGBUHVLE-UHFFFAOYSA-N 448.589 2.384 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CCO2)cc1 1304193620 JODAJDUTTJTTHJ-HSZRJFAPSA-N 448.523 2.413 30 10 IEEE Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1304805069 JFFNFVANRVKBMP-JVMRMLDLSA-N 442.545 2.360 30 10 IEEE CCC1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1306378855 UFXQHYBLYPBISN-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1312731854 VFMMNBADQYGOKB-ZACQAIPSSA-N 437.537 2.352 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)n2)cc1 1315449299 FNMHIPBCVMZPJH-QFIPXVFZSA-N 438.511 2.275 30 10 IEEE COc1cccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2cccc(CO)c2)n1 1325952542 YORNEIGUTXTHFJ-UHFFFAOYSA-O 437.501 2.377 30 10 IEEE Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)ncc1C#N 1348621828 HDPJREVVMBKBQG-UHFFFAOYSA-N 444.513 2.322 30 10 IEEE COCCCN(C(=O)c1cc(C)c(C#N)c(C)c1)c1c(O)nc(=O)n(CC(C)C)c1N 1350048506 XITOGFHESHAIQP-UHFFFAOYSA-N 427.505 2.359 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358958866 XOZUWCRQKSVDTF-IBGZPJMESA-N 439.541 2.479 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(N(C)C)CCSC2)CC1 1359033726 NMYWXNMTGFANAQ-HSZRJFAPSA-N 440.617 2.146 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OCCOC)CC1 1359036707 GAUYIYRCVWDVKW-UHFFFAOYSA-N 446.555 2.093 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359059491 OSORKYPZEWOYRM-VQIMIIECSA-N 446.646 2.157 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1359130868 YTRCTMVURNVIBQ-UHFFFAOYSA-N 437.541 2.149 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359312663 ZCFQMNBMYNEQGK-QGZVFWFLSA-N 433.578 2.247 30 10 IEEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1360949268 AGXIAGMBXPNCBB-UHFFFAOYSA-N 425.518 2.218 30 10 IEEE C#CCN1CCN(C(=O)CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 1460221560 KSWYTNAKDLCRMQ-LOSJGSFVSA-N 434.559 2.161 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CC(=O)N(CC2CC2)C1 1462435946 JSJOTOVJFRRCFN-AWEZNQCLSA-N 436.306 2.225 30 10 IEEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1464288550 FHTXSKSFLQDEFF-UHFFFAOYSA-N 433.461 2.003 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1465832923 NSXUSCBENVOOBK-IAGOWNOFSA-N 442.988 2.177 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)c1cc[nH]n1 1468718975 WBKXQPFTJQHAAG-LJQANCHMSA-N 441.532 2.112 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](n3cncn3)C(F)(F)F)C2)C1 1471110990 MNQHMEPFKDWJOF-NTXUUIFSSA-N 442.442 2.285 30 10 IEEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)CCS(N)(=O)=O)c2C#N)C1 1473767519 GPMDQLYDCRMSCN-CYBMUJFWSA-N 426.608 2.320 30 10 IEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCOCC2)n[nH]1 1492691228 BTUANYCGVKJQDS-UHFFFAOYSA-N 436.520 2.261 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1503205086 ZRIZBCBWBBCWFR-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507635132 SMUHCSQUOPUHFF-VQTJNVASSA-N 430.574 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1CCCO 1507656833 KYJOBOMXXHHSEA-JOCHJYFZSA-N 430.556 2.201 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC 1507669631 ONISOILGIAAWGH-FQEVSTJZSA-N 440.569 2.399 30 10 IEEE C#CCSCCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C 1507758330 MCHNJMSKNMYEJC-UHFFFAOYSA-N 442.589 2.484 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507960544 ZJSSZTPFIDONDB-SJLPKXTDSA-N 426.477 2.161 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508105541 SAJYJINNJVCQQA-GOSISDBHSA-N 433.516 2.311 30 10 IEEE CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1509740060 DSLLMRBAMVCPAI-UHFFFAOYSA-N 447.543 2.204 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCc2cccnc21 1510171539 ACEUNOALZJNXIQ-QAPCUYQASA-N 443.577 2.143 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1513194831 BTZGGDAHGSLKLG-KRWDZBQOSA-N 427.553 2.026 30 10 IEEE CCOCc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1516594726 IVMGMEDQTOYJKT-UHFFFAOYSA-N 449.515 2.088 30 10 IEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1516988995 AKOJBNZUPCSXJV-PGRDOPGGSA-N 443.502 2.284 30 10 IEEE Cn1cc(CNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c(-c2ccc(C#N)cc2)n1 1522167659 LNRZRGCTEMMDBZ-LJQANCHMSA-N 427.464 2.094 30 10 IEEE C=CCN(C(=O)CCn1cnccc1=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531952855 NCGHHZAWJQERHP-UHFFFAOYSA-N 444.538 2.380 30 10 IEEE COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@H](C)CC#N)C2=O)cc(OC)c1OC 1532471605 DMVYWKREHKEATO-PILJQMSFSA-N 433.486 2.415 30 10 IEEE CC(C)(CC#N)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1535410556 HDDYVJAINIWURP-UHFFFAOYSA-N 444.351 2.140 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539045442 URVSRDPIEISZEB-IBGZPJMESA-N 448.531 2.139 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539154233 NEQYMLLISDIXBH-VGOFRKELSA-N 433.553 2.399 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCO[C@@H](C)C1 1539178624 JDSBFAQGEJMWII-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1OCCC1(C)C 1539179474 OSJYDMFDCFYYRZ-SJORKVTESA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539224162 CUGGANLUGISJGN-IBGZPJMESA-N 428.558 2.109 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1539361658 ABZYUHXLGKEHKA-UHFFFAOYSA-N 446.515 2.459 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCn2cc(Br)cn2)CC1 1539453996 FZOULFYRZYGTOA-UHFFFAOYSA-N 432.370 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1539475452 GNVAQLCHMCIOKH-TZIWHRDSSA-N 438.576 2.311 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1539714641 REXJPFBFFLJNTB-OAHLLOKOSA-N 428.562 2.341 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1540151509 ITZACRMBPKGZNG-VAMGGRTRSA-N 444.580 2.469 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CC2(S(C)(=O)=O)CC2)cs1 1542912693 VMESQOLMKLIWMY-UHFFFAOYSA-N 434.591 2.341 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@H](C)O1 1544712927 FJVWEOSLXYKKKN-HOTGVXAUSA-N 429.546 2.398 30 10 IEEE CCn1cccc(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)c1=O 1547627534 CWTXXPWCYKQWDE-OAQYLSRUSA-N 432.528 2.412 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1554356088 ZQCSVBNHNPXHLP-WOJBJXKFSA-N 432.887 2.431 30 10 IEEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1555719879 LCTFVZNONZQXGH-OAQYLSRUSA-N 447.561 2.142 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCN(C(=O)OC)CC1 1555726943 AJAPTQYAAJXFKJ-SZMVWBNQSA-N 434.541 2.076 30 10 IEEE CS[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555833321 QYRCZKNBCMWJIT-AHCXZYCDSA-N 448.618 2.383 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)CC2=O)cc1 1556063505 DGUQNZPRRIEPSV-QUCCMNQESA-N 446.507 2.394 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 1556769990 AMGXSKGYXRLOSL-OAHLLOKOSA-N 435.509 2.200 30 10 IEEE CCOC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1557304470 WFGZUKYERKBCCP-BEFAXECRSA-N 435.546 2.243 30 10 IEEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1559842949 LHTSKZVCQBKXFK-MJGOQNOKSA-N 437.562 2.132 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1=O 1567743707 KGMHUEYTLZTMTE-CYFREDJKSA-N 440.544 2.317 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CO)Cc2ccccc2F)s1 1586292398 PVVQQGCHQDBXNY-IBGZPJMESA-N 426.535 2.004 30 10 IEEE N#CCN1CCN(C(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)CC1 1586493685 BXGDDUXHNGEENP-GFCCVEGCSA-N 425.274 2.371 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1587632960 QGWNDJNYSMKWKU-IEBWSBKVSA-N 425.533 2.145 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1587749432 HRTIYOULHQGADZ-MRXNPFEDSA-N 439.545 2.383 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(CCO)Cc1ccccc1OC 1587847027 BJDSXEUWNLGWHM-UHFFFAOYSA-N 437.500 2.427 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1588065168 VNXGJHFWJHTRMY-SFHVURJKSA-N 432.521 2.053 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1588238070 JVIJRHRSVYPZCD-UHFFFAOYSA-N 437.935 2.159 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1NC(=O)CC1(C)C 1588253995 MGUTZHRLUQUXFM-HXUWFJFHSA-N 435.528 2.243 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1588974941 CYCSJAUXOGGYSN-GOSISDBHSA-N 447.527 2.312 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1589234837 ZKYLAJLKVDOZRR-XUZZJYLKSA-N 439.608 2.489 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)C 1589568745 MEIFMKGUXYSJIA-GHTZIAJQSA-N 429.569 2.082 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCCC1 1596591101 XMSJJOVDRYKNSS-UHFFFAOYSA-N 434.544 2.300 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1596821565 DBVHTGGKCHXZJU-WMZOPIPTSA-N 446.577 2.067 30 10 IEEE CCC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1614406407 QSEBBUJUCWSWSP-RBUKOAKNSA-N 425.537 2.190 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCCCCC2)cc1)c1cc[nH]n1 1626927231 FNLDYFAZTLRKAZ-UHFFFAOYSA-N 441.532 2.386 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)c1 1632243589 OXHGSHLRONCWHB-HNNXBMFYSA-N 438.431 2.384 30 10 IEEE Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1635415231 ADCAVONAXVBJOT-UXHICEINSA-N 434.479 2.274 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C1 1639270254 SCDAWYXWFBQMMQ-HNNXBMFYSA-N 430.306 2.398 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cn1nc(Br)c(Br)n1 1640459759 BPAJPGKSFNXZSL-UHFFFAOYSA-N 448.115 2.493 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)[C@@H](O)c1ccc(C#N)cc1 1640777137 YPNVPTJXDKHHQT-KUHUBIRLSA-N 433.302 2.330 30 10 IEEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 1642915550 CXKBKXUTQCYYPX-MJGOQNOKSA-N 448.589 2.224 30 10 IEEE C[C@H](CC(=O)N[C@H](C)c1cnn(CC2CCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1647776717 CGCMDPIUOGPBHY-HUUCEWRRSA-N 429.546 2.378 30 10 IEEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1672068246 AJTBTGNMJLPLDN-DYESRHJHSA-N 442.541 2.398 30 10 IEEE COc1ccnc(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1F 1682825285 LIWSXBDFKCONSI-UHFFFAOYSA-N 426.408 2.381 30 10 IEEE CO[C@]1(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCSC1 1685325947 YFSDYIXWPZDNJF-FQEVSTJZSA-N 432.525 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1689837726 LXALXJOEWFJQNA-ZDUSSCGKSA-N 440.367 2.105 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 1689930811 ZRNAICWHJGQMBS-SFHVURJKSA-N 435.550 2.032 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1689985797 BRNKLABUDSJNEC-QGZVFWFLSA-N 443.479 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN1CCOCC1 1690001591 NLUKBVJNOSUDHM-LJQANCHMSA-N 425.508 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1690046524 CWUJEHIGEOJQLE-MRXNPFEDSA-N 449.627 2.282 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC1 1690107939 IZXFPJMABMCXAZ-KURKYZTESA-N 433.553 2.171 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1690137703 HCCYMZXIBMWLSG-INIZCTEOSA-N 432.569 2.055 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690239484 XIISRCSYWFTFRR-NFBKMPQASA-N 444.624 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1690252640 HFVXCTXTFCCUIB-IERDGZPVSA-N 429.496 2.256 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690419428 RSKVSNWCKXTIQB-SJORKVTESA-N 437.548 2.490 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccccc2)C1 1690710521 SGYQTMBESOJAEY-CVDCTZTESA-N 425.533 2.090 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(N(C)C)CCOCC2)cs1 1693350535 CFUWJZQPOMROSV-IBGZPJMESA-N 433.557 2.187 30 10 IEEE CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1694830159 FZKFITRKLALAOQ-ILYIUGIZSA-N 435.532 2.415 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccn3C)nnc2N2CC[C@](F)(C#N)C2)CC1 1695896384 SPWXRKWLZIOSQR-QFIPXVFZSA-N 428.560 2.143 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCN(C)C2)cc1 1696136555 COVXEFIDAJXZEP-YZZKKUAISA-N 442.564 2.479 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1696904139 BATDOIFDEDXPHY-QGZVFWFLSA-N 437.548 2.038 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C 1698060778 GXYALSAEVORMNP-HRAATJIYSA-N 433.940 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705502671 IDIZAAFGFCCYGE-VQTJNVASSA-N 439.560 2.427 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1705503549 YGQBWHPIEHXDPQ-LINNUKDLSA-N 448.527 2.458 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705569718 JQXKFTXDJXMOPK-GHTZIAJQSA-N 441.601 2.382 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705652808 OBZZFFMUMMVRAA-ZIAGYGMSSA-N 431.484 2.037 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705665958 JKEWLLUYLYMODN-HKUYNNGSSA-N 425.558 2.247 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705680409 AJSJHASUKSKXOU-AWEZNQCLSA-N 427.391 2.347 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705704242 ZRTHQVJYUUTPJD-UGKGYDQZSA-N 432.613 2.202 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1705797590 YVQQKLZAUQMTJC-QYZOEREBSA-N 443.573 2.212 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705905359 SNBUGZUSZIXXCQ-SFHVURJKSA-N 442.539 2.051 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705912780 ULQXXUSHWUJYJM-GOSISDBHSA-N 435.532 2.254 30 10 IEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1707913517 GHTCSZOGSKXLTH-PMACEKPBSA-N 437.592 2.280 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1710984528 WSINPEFCUNJLQN-UHFFFAOYSA-N 448.531 2.110 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C[C@H]1C 1712478607 BWESPDBJYJOQDB-OAHLLOKOSA-N 438.561 2.182 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1722281251 ICDBRLRHFHDRRK-NVXWUHKLSA-N 432.546 2.388 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1722296785 VDRFNIGESQOAQO-QWRGUYRKSA-N 433.481 2.162 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722313032 OGXMWQLJKSTAMK-GOSISDBHSA-N 436.516 2.230 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722313329 UGGRTEOSMZOUKE-UHFFFAOYSA-N 431.500 2.141 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](COC)OC 1722375431 OOXSHSLFFSWGFD-INIZCTEOSA-N 447.333 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1722449564 UYRXFTGZELVVSI-RTWAWAEBSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1722452883 LSWYTPIDMQYOEK-UHFFFAOYSA-N 444.561 2.127 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1722533661 WQQDLLVRXHVCTI-QGZVFWFLSA-N 449.502 2.081 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc(Br)cn2)C1 1722719696 YQTAHRXGXQHJOQ-ZBFHGGJFSA-N 437.342 2.223 30 10 IEEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)s1 1726340526 BXZIDZSOIBQJTM-OLZOCXBDSA-N 445.574 2.283 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCCO1 1726723770 DPEAHDRUPWQMEB-IBGZPJMESA-N 440.548 2.066 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC4(CC3)CNC(=O)C4)n2CCSCCCO)c1 1731178917 KMEHTRZGSSTUEB-UHFFFAOYSA-N 440.573 2.039 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1740558435 FFIYJYWOYIUXSR-KGLIPLIRSA-N 440.495 2.189 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740595530 UEYUNOXWFHGEST-UHFFFAOYSA-N 426.569 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1740635138 LOENZPOMTDAAPB-NTKDMRAZSA-N 436.512 2.373 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1-n1cccn1 1740684275 MAJMGVHLJVBTIX-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740690613 YBMMGKYRUHZVAN-HXUWFJFHSA-N 443.640 2.072 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC)N2CCCC2)CC1 1740698404 UZTBEIFVDVNOAO-HXUWFJFHSA-N 427.622 2.263 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CC(N)=O 1740758024 YVPGYQBSNZAQBW-IIMJZQEZSA-N 427.505 2.355 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OCC)CCOC1 1740785809 DHROWJSOHOEYNW-HSZRJFAPSA-N 441.532 2.174 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1740856445 UCPHZBRBTSAJRO-OAQYLSRUSA-N 433.578 2.381 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740868686 QIGPUPRMNZNLQO-UWJYYQICSA-N 433.578 2.261 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1740884503 CPXFCFNSWPQOCF-UHFFFAOYSA-N 444.536 2.046 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC1(C)C 1741220002 YJFLGEYOUOUMFP-YESZJQIVSA-N 446.552 2.361 30 10 IEEE CC(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCS(=O)(=O)N(C)C 1741438449 ALQIQPNUDJPVEB-UHFFFAOYSA-N 430.578 2.409 30 10 IEEE CCCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1745539823 GBOCAJDKZGUBDX-UHFFFAOYSA-N 425.537 2.485 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1748751013 SPTPMIOVTRFLLF-HXUWFJFHSA-N 425.581 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCCCC1 1748855567 CQXPULAEQCKPLL-IBGZPJMESA-N 438.601 2.464 30 10 IEEE COc1cccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1748947723 WEMJFLGYZGZFGM-AWEZNQCLSA-N 444.517 2.046 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cnn(C)c2)CC1 1749006071 HMLIIZFDNQKNHL-UHFFFAOYSA-N 431.544 2.255 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1749019642 BXIFFCKOIGLDTN-QFIPXVFZSA-N 443.548 2.118 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749019860 DUVHDHIHRKAXDJ-CYBMUJFWSA-N 440.451 2.059 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1749054839 ZGTJUZVFTOXPFU-FXAWDEMLSA-N 436.626 2.145 30 10 IEEE C=C(Br)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1749113318 YFSCLPZGWBYYPS-ZDUSSCGKSA-N 439.358 2.251 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749122702 ZKHLHJWJWSVEME-VCOUNFBDSA-N 430.597 2.091 30 10 IEEE C=CCCOCCn1c(C2CCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749458145 ZBKFDCIXNGQRCI-WIYYLYMNSA-N 430.597 2.127 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1749685865 MRRQGDOOGJOFQT-MOPGFXCFSA-N 425.533 2.358 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)O)C1 1749705523 IQYZZDQBLUVOII-INIZCTEOSA-N 438.532 2.227 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2ccccc2CC1 1749732275 UTYDELIDYOFQRJ-HXUWFJFHSA-N 430.574 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccccc2C)CC1 1749739915 NGKXPZZNVIGGSO-UHFFFAOYSA-N 433.578 2.050 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)SC 1749965110 AOYBJVWOLLULIC-KBPBESRZSA-N 432.550 2.289 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCOCCS(C)(=O)=O 1760105542 FKKCJRVUQXEZEK-CQSZACIVSA-N 440.953 2.126 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC#C)CC#CC 1760132231 FSVDTSJLBIEAND-UHFFFAOYSA-N 437.569 2.462 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCc2nnc(C)s2)CC1 1760269138 ZIFYPRLXCJJLRG-UHFFFAOYSA-N 438.561 2.032 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1760331025 CFVRXPRMICYXMA-UHFFFAOYSA-N 448.545 2.016 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCCN(CC)C(=O)C2)cc1 1760529518 IIQXGLGPVYVSHO-UHFFFAOYSA-N 435.532 2.350 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1760532094 KWCRJSMLLFZBFO-UHFFFAOYSA-N 436.516 2.181 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)C[C@H]1CCCOC1 1760556430 DHDXOMHKPPTTCK-QGZVFWFLSA-N 436.553 2.472 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1760678165 UHCLMJFPGKVZNT-UHFFFAOYSA-N 426.521 2.178 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](COC)OC)c2ccccc2c1=O 1767159537 HXQOUIZDDLBVOR-JKSUJKDBSA-N 439.520 2.075 30 10 IEEE CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1768654554 VMIGTHSZUIHYKZ-MRXNPFEDSA-N 441.513 2.335 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768798822 MGZCWFAJXCSWDH-YGCDDZCOSA-N 428.537 2.325 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1OC 1770044281 VGFBAHZVJPVLJD-JTSKRJEESA-N 442.495 2.319 30 10 IEEE Cc1[nH]nc2c1[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2C(=O)Cn1ncccc1=O 1851395449 DSUSEMOOGGZMIU-OAQYLSRUSA-N 444.495 2.492 30 10 IEEE CN(C)C1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851612469 XGPSSANMSIMUKR-JOCHJYFZSA-N 440.569 2.000 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cccc(Cl)c4)n3[nH]2)CC1=O 1852330705 LKELFCZHVLMBKE-KGLIPLIRSA-N 440.891 2.313 30 10 IEEE N#Cc1cccc2c1CC[C@@H]2NC(=O)Cn1ncn(-c2ccc(Br)cc2)c1=O 1852588565 JPMPZUROJYOLIB-SFHVURJKSA-N 438.285 2.472 30 10 IEEE Cc1noc([C@H]2CN(C(=O)CCON=C(N)c3ccc(C)n3C)C[C@@H]2c2ccccc2)n1 1853407982 VQCXGMYVWHZPJM-MOPGFXCFSA-N 436.516 2.462 30 10 IEEE N#Cc1ccc(CN2CC(=O)N(C(=O)[C@@H]3CCS(=O)(=O)C3)c3ccccc32)c(F)c1 1853896797 WAIFKHACXQXZPV-MRXNPFEDSA-N 427.457 2.012 30 10 IEEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC[C@H](Oc4ccc(Cl)cn4)C3)CC2=O)ccn1 1857229118 KFCWUFKBUHZGNV-KDOFPFPSSA-N 425.876 2.144 30 10 IEEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(C)ccc1S(C)(=O)=O 1861002283 QCUJSLWHAXVKNK-IEBWSBKVSA-N 438.590 2.451 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862180664 SCAFPYNVXXYPHU-PKOBYXMFSA-N 441.528 2.312 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862693057 YEYUAEOOZHHHDL-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868794780 GIKSPNNFWVXGRN-RBUKOAKNSA-N 432.590 2.150 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCOc1ccc(OC)cc1 1869933627 KWIARMABKRIKBY-GOSISDBHSA-N 431.514 2.098 30 10 IEEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870508040 JCOYIWHRFYOFRM-UHFFFAOYSA-N 439.556 2.276 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1=O 1872918309 YJOJKMVZVPDPHE-AWEZNQCLSA-N 434.880 2.460 30 10 IEEE C=CCn1c(C(=O)NCCc2ccccc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873591499 NJMSGDTVUDMBFR-UHFFFAOYSA-N 432.528 2.258 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cncc(-n4cccc4)c3C)CC2)CC1 1890148047 DSHTZQXROUTGAN-UHFFFAOYSA-N 449.599 2.443 30 10 IEEE C#CCN(CC(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1962755819 YVNDWQKCXKZRSJ-INIZCTEOSA-N 439.553 2.123 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060637183 HYAKLUAEIROCRI-UHFFFAOYSA-N 432.330 2.360 30 10 IEEE Cc1nc(C(=O)N(OCc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)s1 2247900867 ATEHZPHAXRSYRE-UHFFFAOYSA-N 429.351 2.297 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CO1 2255527667 PNGMPQRFSUJRTR-CQSZACIVSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255879751 UOVDGMLDZNLNGZ-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CC1 2256620680 LFDRZBWMXWYMDG-QGZVFWFLSA-N 435.374 2.376 30 10 IEEE CO[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)OC(C)(C)C 2256896772 ZCHJTANWALYELP-JKSUJKDBSA-N 437.321 2.248 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267291656 TUVSIUXYFRVDJK-JMSVASOKSA-N 443.275 2.232 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1 2267492325 ADERFMIJQJOLIP-IBGZPJMESA-N 438.381 2.361 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267505163 DKKRBGAEOHDBHJ-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2267570335 AXFQVLNERDAIJX-HOTGVXAUSA-N 445.369 2.263 30 10 IEEE CCCN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267880527 UQUKUWNBJDKUCL-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268700589 VXOXJBKAMDGCOU-FUHWJXTLSA-N 446.353 2.142 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1C 2337270238 JDABBXJAIGEHFU-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2342638142 XRDZMFOXBRGBFO-UHFFFAOYSA-N 449.357 2.329 30 10 IEEE COc1ccccc1NC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCC(C(N)=O)CC1 14161074 FPWZFTPOVOQCSJ-UHFFFAOYSA-N 441.561 2.464 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 103936554 XHUYYIWPYCWDNP-BZBVZNBDSA-N 432.502 2.439 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(Cc2nccn2C(F)F)CC1 195723686 XAGIXUCKDLKYOP-UHFFFAOYSA-N 442.474 2.086 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 238811326 AJPFYSGOXTUGPU-SNVBAGLBSA-N 429.321 2.404 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)CC2=O)cc1 238959628 YHXFHUDOFRBVRA-BXWFABGCSA-N 435.484 2.216 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 434420828 IGRGMGYYKDZLGO-UHFFFAOYSA-N 425.489 2.390 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1cccnc1C#N 477080677 DZMPMSAHMAXELI-UHFFFAOYSA-N 430.486 2.154 30 10 IEEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)NCC(C)C)n(C4CC4)c3=O)cc2s1 491588532 JFJSHTABPOJGAD-UHFFFAOYSA-N 438.578 2.438 30 10 IEEE O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 494405033 LPYJXXWZLZXTCV-AWEZNQCLSA-N 434.264 2.354 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N[C@@](C)(C#N)C(C)C 495420867 LTKVMIJVUQQPPR-XZOTUCIWSA-N 446.640 2.270 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 503610031 GMIPWWWODDUODQ-QFIPXVFZSA-N 449.573 2.490 30 10 IEEE C[C@](C#N)(NC(=O)CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(F)c1)C1CC1 507396378 CGWNGMNZDKMZIR-DHIUTWEWSA-N 425.508 2.245 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 508826822 JXWCYHKDCWIQFW-IBGZPJMESA-N 444.492 2.186 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 509014541 XPNBEFJDUWJFFD-UNMCSNQZSA-N 438.576 2.310 30 10 IEEE CC(C)(C)[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1O 541617071 JVOVEKACLMNELM-WMZOPIPTSA-N 441.532 2.184 30 10 IEEE CN(C)CCCNS(=O)(=O)c1ccc(-c2noc(Cc3cccc(C#N)c3)n2)cc1 547060448 QJNHTBMBPRUPQA-UHFFFAOYSA-N 425.514 2.429 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3c3nnc(C4CCC4)o3)CC2)o1 553924701 ISDILKRFHLWZTA-SFHVURJKSA-N 439.520 2.381 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 588152504 WTJSZJCWDGMDKT-CRAIPNDOSA-N 426.538 2.216 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cc(Br)c(O)c(Br)c2)CC1 642338815 NPWZYUKTQAZEHB-UHFFFAOYSA-N 447.171 2.337 30 10 IEEE C=CCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(F)(F)Oc1ccccc1 669810651 PJFUQTXBYBCNHK-OAHLLOKOSA-N 432.431 2.065 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 729376521 JYQMTTLRXBPTNQ-UHFFFAOYSA-N 432.484 2.277 30 10 IEEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)c1 732706349 NDHBEBMAPMUTQA-NRFANRHFSA-N 429.480 2.275 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2F)c1 732707176 WQCNDMQVNRQYJK-HXUWFJFHSA-N 447.470 2.414 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc(CNC(C)=O)s2)cc1OC 743450344 ZVDFBMGGXLPRAU-INIZCTEOSA-N 429.498 2.083 30 10 IEEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cn2)c1 748974618 GPBLPBOMCWVHLW-FQEVSTJZSA-N 439.497 2.356 30 10 IEEE C#CC[C@H](NC(=O)[C@@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757426477 GIQFTNNGDUKGSW-FCHUYYIVSA-N 449.507 2.048 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 772899787 YPFLEBXEGCQASI-UHFFFAOYSA-N 430.533 2.206 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)s1 788015350 UVZMIVNJVLHMGY-SFHVURJKSA-N 448.570 2.218 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2N=Cc2cnn(CCOC)c2)c1 789991471 PUTPFDIUIGDPSA-UHFFFAOYSA-N 432.513 2.284 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@](C)(O)Cn1ccccc1=O 790682749 MVQHQEXIADJXBK-VFNWGFHPSA-N 429.498 2.033 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)cn3C)n2C)n1 809868508 MTSUAMZRHPTBJJ-UHFFFAOYSA-N 432.326 2.066 30 10 IEEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3cccs3)n2N)cc1 1084154713 CEZNVIAUUXBGLZ-UHFFFAOYSA-N 431.547 2.307 30 10 IEEE Cc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc([N+](=O)[O-])c2)n1N 1084271558 PMWBUUMSHVPBCQ-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE COc1cccc(C=NNc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)c1O 1084380568 LMNGMWLXQLMXAI-UHFFFAOYSA-N 426.502 2.416 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)n1 1143259822 SXTIVNNBUDRIPD-MJBXVCDLSA-N 432.575 2.434 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 1152128676 MQBYICMLZRSAKO-CHWWFWEZSA-N 425.551 2.471 30 10 IEEE CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807397 NWEPNLAGJSMPQS-CIUDSAMLSA-N 446.360 2.190 30 10 IEEE COc1nsc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1Br 1167495356 DVDJQJCUQAZQTG-UHFFFAOYSA-N 433.291 2.484 30 10 IEEE C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@@H](C)O1 1185029542 HJWVFIFPMYVUSL-BETUJISGSA-N 430.368 2.487 30 10 IEEE C=CCOCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1213135194 HOVRUMOBFYIYLT-IRXDYDNUSA-N 430.592 2.224 30 10 IEEE Cc1c(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cccc1S(=O)(=O)N(C)C 1219105991 BVRGJCAVQPRYQK-UHFFFAOYSA-N 427.530 2.471 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)[C@H](C#N)C1 1233850539 CGNVXOILXZBMRF-UHOFOFEASA-N 435.912 2.315 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c(=O)nc1O 1253910940 KACKEEFGOLFFLJ-MRXNPFEDSA-N 426.864 2.332 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc2c(c1)OCO2 1286307856 BNIKPWBLSVAQAG-GUXCAODWSA-N 428.489 2.268 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286347910 DIXAUSMNGBSTDX-ZWKOTPCHSA-N 442.589 2.214 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286356195 LHDVOJDGEHDMDL-UHFFFAOYSA-N 437.508 2.499 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@H]2COCCO2)CC1 1286484108 IBJNDWJFCYBHPX-FQEVSTJZSA-N 441.601 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1286516227 DXWFNTNARLJTQD-GHQDRPGLSA-N 437.610 2.476 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(C)=O)C1 1286804132 LUXDQFDTLPPSDZ-OAHLLOKOSA-N 437.342 2.343 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1288192991 DBLHYUBBXZZHEN-FQEVSTJZSA-N 449.559 2.323 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1C 1289348063 CDTCIFGKNYJDKC-NRFANRHFSA-N 427.526 2.396 30 10 IEEE CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1295189470 HIWIZQMWVOJYOP-XUTLUUPISA-N 438.536 2.364 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)Cc2ccc(O)cc2)C1 1295863666 SVGLJBAXTAUEQC-KRWDZBQOSA-N 430.302 2.182 30 10 IEEE CCN1CCN(CC(C)(C)NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1299467520 XYIRADGZGAKLHN-UHFFFAOYSA-N 429.414 2.440 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1300380422 AWMDQRHNSASLEG-MJGOQNOKSA-N 431.562 2.350 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1300430907 BMZVXNMNNYAWJC-HSZRJFAPSA-N 425.533 2.047 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(C)C 1300537175 ATZBBGDUKXWFSC-FQEVSTJZSA-N 440.569 2.336 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC1(S(C)(=O)=O)CC1 1300648793 PCWDJUSJANDIOO-QGZVFWFLSA-N 432.521 2.138 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1300648991 RPWZJKRGTHEFNG-PKOBYXMFSA-N 425.508 2.476 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCN2CCCO)CC1 1300690138 COWIVFPHYYWDNR-HSZRJFAPSA-N 436.604 2.110 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 1300876626 USVDGRMBPLFYAV-JJXSEGSLSA-N 447.552 2.351 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNC(C)=O)CC1 1301112460 WZHZOENNXMQSNV-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C#N)o2)CCO1 1301360618 SUPMSEYQHSNVEX-FQEVSTJZSA-N 439.472 2.327 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1301363728 ZFDBUSFUUGBLEN-MRXNPFEDSA-N 425.580 2.275 30 10 IEEE C=CCOc1cccnc1C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1301550337 IBHHTBRJKGZCGQ-UHFFFAOYSA-N 449.555 2.342 30 10 IEEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)cc1 1302130819 SGYFLWKAZFUIAI-QGZVFWFLSA-N 426.521 2.183 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)CCCN2C 1303804935 WFVLZFGHIJCFIN-HOTGVXAUSA-N 445.593 2.057 30 10 IEEE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cc1 1312625342 IYLRJVVFPBWKGQ-DENIHFKCSA-N 433.512 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 1312830149 QFFZJRUCHHGHJV-OALUTQOASA-N 430.505 2.277 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1316046141 ZWWIOUYFNISYBH-NRFANRHFSA-N 440.548 2.066 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCOCC(F)F)c1 1316530006 SHXLAGKNLIFTPH-KRWDZBQOSA-N 430.459 2.300 30 10 IEEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(OC)c(C#N)c2)c1 1332236283 DAQFMCSYAWJWTK-UHFFFAOYSA-N 438.303 2.167 30 10 IEEE CN(C)C(=O)C1CCC(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 1354741287 PVEIDAPXGXDWOO-FCDQGJHFSA-N 434.562 2.333 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1358946797 JEOOKMLVQDACMC-LJQANCHMSA-N 435.532 2.020 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc(OC)cc1 1358952717 VISHPSZVUMCDGQ-UHFFFAOYSA-N 425.514 2.427 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1358965109 NYQSHPWDNHWDRT-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N(CC)CC)CC1 1359031245 VOLHQXZLRRLLGM-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359056428 FKHLNFGLZRGDBN-SFHVURJKSA-N 434.610 2.122 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359218224 AVUXKUDDLRMDMV-MRXNPFEDSA-N 438.623 2.366 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1359476333 BRXADZUSHBXZNR-LPHOPBHVSA-N 442.545 2.292 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1438642837 MYRDLXALWUTXLK-RUCTVCJSSA-N 430.508 2.362 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 1455988263 ZTFULLGRFFJXTR-UHFFFAOYSA-N 429.274 2.107 30 10 IEEE COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnc1C 1463525606 XXFOKZGSXGIWCO-UHFFFAOYSA-N 442.497 2.088 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2(c3ncc(Br)cn3)CCC2)cc1 1472003559 GLEUSARGRXHVBX-UHFFFAOYSA-N 449.330 2.221 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1472145831 MTBRSDJQKCNRRK-LJQANCHMSA-N 449.573 2.347 30 10 IEEE Cc1cc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)cc1I 1473850227 KCBDOWMRHJIRJA-GOEBONIOSA-N 430.311 2.278 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493246124 PDRVOXUUXMIAGJ-FNJUQIQDSA-N 435.532 2.273 30 10 IEEE CCCCN1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1500543793 DRINAIHQEHNEOP-BQJUDKOJSA-N 446.596 2.385 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1503480826 AFLBBCOLHYLBQV-BWVDKLOVSA-N 440.479 2.432 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1507627641 KVCPKTHZHGRYHK-OAQYLSRUSA-N 446.536 2.081 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507630657 FAYDJTZKQLBBSO-SJORKVTESA-N 433.603 2.147 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)Oc1ccc(OC)cc1 1507637023 MQADEGGPWDCVSQ-GOSISDBHSA-N 444.495 2.474 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(F)c1 1507710111 JCXFEAVJTNTCTD-UHFFFAOYSA-N 441.463 2.288 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCOCC1 1507759177 CFNBLSVXJYNEMC-JOCHJYFZSA-N 430.597 2.299 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)F 1507761282 LNTJXESZQJKCBH-QGZVFWFLSA-N 441.280 2.409 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507805434 JKEVVPRHLKUWRY-YLJYHZDGSA-N 437.610 2.120 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1507962349 QZKHSFUSNIVUQX-UHFFFAOYSA-N 442.593 2.358 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)[C@@H]1C 1508072967 LKARBPDGTVILLZ-HNNXBMFYSA-N 442.589 2.245 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1508078413 AGJMHVNOIZMWCR-IRXDYDNUSA-N 442.564 2.183 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508083032 ZMCKASVXDYNRNC-KRWDZBQOSA-N 441.536 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc([C@@H](C)O)cc2)C1 1508107200 BDMCKWSNYIYLNV-YLJYHZDGSA-N 425.533 2.397 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508164474 IUAJIYYJPMRXSJ-QFIPXVFZSA-N 428.606 2.484 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCC(C)CC1 1513922540 BVRLDGPBWDECQP-IBGZPJMESA-N 437.596 2.339 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515061999 SXDURPDDTRBPBM-QGZVFWFLSA-N 442.955 2.086 30 10 IEEE Cn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)cn1 1517379449 GCCHOUYGXDJDAL-LBPRGKRZSA-N 434.323 2.280 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)C1 1517679579 CDUKSCVVGOOVII-VGSWGCGISA-N 425.489 2.297 30 10 IEEE CCOC(=O)C(F)(F)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1 1533955176 RJPAMFRFABSYJZ-MRXNPFEDSA-N 428.457 2.471 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2c(Br)cnn2C)cc1 1534146424 IBXAMLQKNSKAED-XSFVSMFZSA-N 440.323 2.248 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)COCCO1 1538983610 URSVJFQDWHTIOY-OYHNWAKOSA-N 430.505 2.234 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1539078689 DSUMCHZCQOUSSR-UHFFFAOYSA-N 428.562 2.132 30 10 IEEE C#CCCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539139324 DBISTTWJDQETGK-YESZJQIVSA-N 430.553 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(C(N)=O)CCOCC1 1539332070 FIZWQMAKEGPSFV-UHFFFAOYSA-N 444.539 2.095 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1539370082 STKQUFTUKWAIPV-IBGZPJMESA-N 428.558 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1539462026 AUPXSKCCDICWPR-FGZHOGPDSA-N 444.624 2.022 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539490854 ISEGKMOEYPFHNC-RBUKOAKNSA-N 432.638 2.291 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1539603668 UJAPHKSUSBLIIX-UHFFFAOYSA-N 440.371 2.004 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1540026386 FLHNBKTUTZXJHH-INIZCTEOSA-N 426.525 2.441 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540034021 TWSMYPUSJQDFCJ-GOSISDBHSA-N 448.568 2.127 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1540134499 ZJYXXEHSFHDFCZ-UHFFFAOYSA-N 425.533 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(C)c1 1540901455 DVMYWGFMGVEUQX-UHFFFAOYSA-N 444.561 2.233 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCCCC2)C1 1540901719 NBIOLIOPSQYCGB-IBGZPJMESA-N 444.605 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1C(C)(C)C 1540908132 CKJDHWMKWVSVOG-INIZCTEOSA-N 436.582 2.327 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)c2c(C)noc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367817 PPAULUUZDCXWKG-INIZCTEOSA-N 435.406 2.259 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1554437843 FQHJOYHMVRAQGN-UHFFFAOYSA-N 445.483 2.204 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C)c1I 1558510454 XTUQFKYIULYLGT-SNVBAGLBSA-N 432.262 2.270 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCn3c(CC4CC4)nnc3C2)cc1 1562197235 GWGQWXHOUOHGLE-UHFFFAOYSA-N 430.534 2.085 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 1565758062 MMJKJCXZHHBPOT-SJLPKXTDSA-N 433.530 2.086 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1587581205 XRJGITWQKLQONO-JKSUJKDBSA-N 432.546 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1587677113 CNTSPUOVLIGYTD-DVSDUFGPSA-N 433.553 2.348 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588064547 KEIKKRBTZUEOTP-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC#C)CC#CC 1589007763 QMIRYIBOTNMFNL-UHFFFAOYSA-N 426.567 2.178 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCNC(=O)c1cccs1 1589150821 LVMYROVAWOZHGN-IIBYNOLFSA-N 431.562 2.486 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1593690668 NATRLXBLODYRTE-JOCHJYFZSA-N 431.512 2.246 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1594167415 BWGAWCIOJOWCQN-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(NC(C)=O)c2)C1 1595665415 UVFCTWJXCXNWNH-HXUWFJFHSA-N 438.532 2.302 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595866457 LOBJYWNFWWKELF-PKOBYXMFSA-N 431.610 2.145 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2=O)cc1 1596367369 GRGAYNKZNSGSSW-OAHLLOKOSA-N 429.440 2.089 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1612459048 AFEFXCALQHPOKQ-HSZRJFAPSA-N 432.532 2.282 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(=O)(=O)CC 1613108011 FDORASLJVOOGNA-KKSFZXQISA-N 433.578 2.485 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1619615751 JOFYQMXJBUXPSL-HXUWFJFHSA-N 446.490 2.395 30 10 IEEE COCCOCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1620062843 IFZMMCQGWQTJOO-JOCHJYFZSA-N 444.511 2.070 30 10 IEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C#N)CO)c1 1624091012 NYXWGJNPFYSFMY-AWEZNQCLSA-N 449.916 2.344 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)C[C@H]1CS(=O)(=O)C2 1626655503 GDEWJJBETNLSHK-GTNSWQLSSA-N 425.297 2.189 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc2n(n1)CCCC2 1631528699 SLQAGRNLLPCPTB-SFHVURJKSA-N 429.546 2.133 30 10 IEEE Cn1cc(CNC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)c(-c2ccc(C#N)cc2)n1 1632720125 GAPKZAAKZHQGIJ-SFHVURJKSA-N 436.493 2.200 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)ccc1F 1637872014 UFVKLEQMZVHKEY-UWJYYQICSA-N 436.480 2.230 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1639840747 RXLLJGRJDZIMNW-QZMQVMSPSA-N 436.508 2.165 30 10 IEEE Cc1cc(C(F)(F)F)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 1641197755 AKEXQLIZTPVQEX-KRWDZBQOSA-N 437.397 2.119 30 10 IEEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1642213632 XLPZUJZLAFEYSB-YJBOKZPZSA-N 429.542 2.339 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C1 1647064690 BREMFYMHWOTCHG-KRWDZBQOSA-N 426.517 2.151 30 10 IEEE O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649035914 QDWLEHVMYFUTPD-ZDUSSCGKSA-N 443.406 2.222 30 10 IEEE N#CC[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(F)(F)F 1652244845 RTJJANOCYQNBPJ-PKOBYXMFSA-N 444.413 2.461 30 10 IEEE CC(C)(CC#N)CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1661556923 BZODNYYYYIMKPT-INIZCTEOSA-N 444.598 2.142 30 10 IEEE C#CC[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1670715526 AGJBZBWXPWJYDG-IBGZPJMESA-N 430.486 2.279 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CCS(=O)(=O)C1 1682343148 HRIBHAUWEONHBQ-XHDPSFHLSA-N 429.311 2.407 30 10 IEEE COc1cc(CCCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc(OC)c1O 1683061547 POMHEPBOMYSUQE-UHFFFAOYSA-N 425.489 2.140 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 1683482792 AQYDXNYHDQMDQW-CYBMUJFWSA-N 448.325 2.182 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1686056268 VBCSROZAISTTHU-OALUTQOASA-N 427.505 2.475 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1686085037 YZXDWHHFNRCTOX-HXUWFJFHSA-N 448.479 2.444 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1689985925 FKWYPEPRXMULPN-QGZVFWFLSA-N 435.619 2.444 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1690109448 RPRVWRRVMVXXMM-OAQYLSRUSA-N 435.576 2.104 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1690142910 XRTZZEPGEXTLMC-OAHLLOKOSA-N 431.491 2.080 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1 1690244250 VLYOTSLRAGFUOQ-FXAWDEMLSA-N 425.537 2.069 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690244456 XNLDTNKHBOHNEH-NVEXJGOOSA-N 444.507 2.426 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690342246 GRJJWLOOHYKLIN-HNNXBMFYSA-N 435.985 2.323 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](C)C1 1690506526 QINOAGYKEODYRW-CALCHBBNSA-N 448.593 2.445 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1690511796 ANUNAMJPFANOGY-VAMGGRTRSA-N 433.597 2.310 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1690611530 PLEHMLLBVSDSEQ-WNRNVDISSA-N 427.549 2.022 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690662980 IEKVPBTXHZSLGB-IRXDYDNUSA-N 426.477 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C)C1 1690728980 CIUFFHZONCSSGQ-SFHVURJKSA-N 434.562 2.300 30 10 IEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1690736165 UXYGLMJZJOBGNA-GFCCVEGCSA-N 439.383 2.277 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1691003200 DSCAEGIESVGJFL-HCXYKTFWSA-N 436.626 2.144 30 10 IEEE CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1695623184 AHFYKUOKOSHMKX-FQEVSTJZSA-N 437.548 2.024 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@](C)(C#N)C1 1696478017 QEXPJMGOLHBWPA-LJQANCHMSA-N 432.506 2.418 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705508927 YUWFSUNQGRKFIV-HDICACEKSA-N 429.908 2.227 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705565761 VXTHFLXQMOLVNO-GCJKJVERSA-N 428.558 2.041 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705570751 QOLMTXWJRWJLQV-JKSUJKDBSA-N 442.676 2.342 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1705602376 SFOAMHPQBCYDQK-UHFFFAOYSA-N 432.459 2.001 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1705604017 CXQVDVGNEDHHOT-QGZVFWFLSA-N 428.562 2.393 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(-n3cncn3)c2)CC1 1705644682 ZCAODJKPJKSMRC-GOSISDBHSA-N 446.559 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)[C@@H](C)CC)CC1 1705648740 XMPWWIYHEBAINZ-AZUAARDMSA-N 430.597 2.216 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1705799867 IFZJGTIAHSVTKK-KRWDZBQOSA-N 448.593 2.277 30 10 IEEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705807005 QXTRFVZUMFGRHS-DLBZAZTESA-N 428.541 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H]1C(C)C 1705934572 PYZXTARAZHXHCM-MRXNPFEDSA-N 435.550 2.231 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1706092257 FIJCOYUHCLFMCK-UHFFFAOYSA-N 449.559 2.086 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1COc2ccccc21 1706878795 GXZXFEUPHRNDIX-QYWGDWMGSA-N 444.561 2.195 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccoc3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1707583887 YSTVUWPTNIKCPV-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE CCOCCOCc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1710846361 IDXBFLDYPBSWAR-LEWJYISDSA-N 441.532 2.460 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1712168457 DISZKDWOLVGXGH-MOPGFXCFSA-N 426.496 2.392 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722619091 YPWRBTCGIBBVSY-ROUUACIJSA-N 437.610 2.279 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1723778993 FIZFJFMHSWIZGV-QUCCMNQESA-N 436.564 2.102 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1724870856 SUXKXRFUTHXIIB-UHFFFAOYSA-N 444.561 2.213 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)OC 1727955332 CKQRNWBJKORPDS-RTBURBONSA-N 447.561 2.167 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1729114607 CJHSKWHGDYHAFS-QUCCMNQESA-N 427.505 2.007 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1730883316 HMUUZADRVGLNJF-QFIPXVFZSA-N 444.511 2.240 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740624295 HVULXQKHTADBIK-QZTJIDSGSA-N 436.603 2.372 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1740692417 KIXGBEZRWRNKTI-DPLHUUCSSA-N 445.608 2.135 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1740694546 MTBOJFDWVCYAJP-UHFFFAOYSA-N 436.560 2.217 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1740695756 CHYBLQVNRYAWFF-INIZCTEOSA-N 434.466 2.194 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCO2)CC1 1740707251 VQFACEQKEHOTQK-KRWDZBQOSA-N 443.498 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(C)C)C1 1740953340 CICFWTSKLHPHFJ-HXUWFJFHSA-N 435.532 2.499 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1748731269 YOKJKVRRXYKXPW-UYAOXDASSA-N 431.581 2.295 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1748789182 XCJVAQLCQJVJCZ-QGZVFWFLSA-N 433.553 2.004 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748809586 NZVHBQPDTHLKBU-FUHWJXTLSA-N 446.598 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)on1 1748886585 IGRVSRHDABSONC-UHFFFAOYSA-N 437.529 2.046 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@H](C)CC 1748915571 YEUXXZOFHWRWPP-VGSWGCGISA-N 447.605 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1749017203 XAKRWQNZIYANMD-AZUAARDMSA-N 436.560 2.045 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749220683 NQVUSEGJHUNKJV-LJQANCHMSA-N 438.532 2.319 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749234830 JXZIQZPXWLQCRY-UHFFFAOYSA-N 439.626 2.464 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1749666701 QBRFRXXNUBXOOW-KGLIPLIRSA-N 439.545 2.226 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2ccn(C)n2)CCOC1 1751016976 BBFMAOKHVBSIFO-JOCHJYFZSA-N 427.553 2.425 30 10 IEEE Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1751874183 RDYGLPNRZMKPDO-IAFDLLIKSA-N 442.545 2.048 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1760127698 IVFPSFUCXKQOSK-UHFFFAOYSA-N 432.528 2.374 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1760184251 HXDUWGGOKOLWOI-OXJNMPFZSA-N 433.603 2.196 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760185457 XLEYJXSNDQDGIC-YLJYHZDGSA-N 427.574 2.055 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1760224277 DSKJSECPQZZGEC-UHFFFAOYSA-N 445.951 2.253 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCCS(C)(=O)=O 1760241908 OASXCOLLTWQQLL-GOSISDBHSA-N 434.537 2.386 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760278029 JIHNNYIJLCRJHP-UHFFFAOYSA-N 440.617 2.302 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOCC1 1760324311 JMLFCVLDNUNKBU-UNMCSNQZSA-N 426.565 2.014 30 10 IEEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1760363216 HLWSTYKUAGIWCP-GOSISDBHSA-N 431.562 2.013 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1760503910 RMCBMHFHISAPGW-UHFFFAOYSA-N 445.483 2.344 30 10 IEEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 1764406791 FDQLKCIFHFCKSU-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@H]1C 1767114014 DEEQMAUXGRZKFI-LJQANCHMSA-N 437.592 2.458 30 10 IEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1767387987 QEPUJFVWTHKKDG-UHFFFAOYSA-N 447.499 2.010 30 10 IEEE COc1cccc(OCCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1770382318 HYUONEYLKNDNMI-XLIONFOSSA-N 427.505 2.379 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)n1 1771001130 GDVIFYGLQZOUJW-UHFFFAOYSA-N 425.493 2.186 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1849747062 HHDPWMAOJKGVMY-UHFFFAOYSA-N 449.511 2.430 30 10 IEEE COc1ccc(Br)cc1CCC(=O)N(C)C1CN(c2nccnc2C#N)C1 1849782565 JTLUKVJTYLJXMY-UHFFFAOYSA-N 430.306 2.399 30 10 IEEE Cc1ccc(S(=O)(=O)C[C@@H](COc2ccccc2C#N)OCCN2CCOCC2)cc1 1851842834 CSWWGPAIWRXQKT-OAQYLSRUSA-N 444.553 2.437 30 10 IEEE CN(CC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)c1nc2ccccc2s1 1852265541 WYPQBZYVMOYOTI-UHFFFAOYSA-N 436.541 2.365 30 10 IEEE COCCN1C[C@@H](C(=O)N(Cc2ccccc2)c2c(C#N)c(C(F)(F)F)nn2C)CC1=O 1852452840 KQKLPHXJDKCSCY-HNNXBMFYSA-N 449.433 2.339 30 10 IEEE CN(C(=O)C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 1852784266 WACUUORZJIFSAG-FPOVZHCZSA-N 437.521 2.291 30 10 IEEE CCc1c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nnn1-c1ccc(C)cc1 1853016943 QIKIMTWONZUTTQ-UHFFFAOYSA-N 445.527 2.384 30 10 IEEE N#Cc1ccc(CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c2cnccn2)cc1 1853028025 VSQACMAKSQVPAD-LEWJYISDSA-N 431.496 2.323 30 10 IEEE C=CCN1CC[C@H](N2CCN(C(=O)CSCc3nc4ccccc4s3)C(=O)C2)C1 1853742194 VBWAVDRLHVEEGM-INIZCTEOSA-N 430.599 2.461 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)on2)C1=O 1853829707 YMLAWYAQMPXLHP-HOTGVXAUSA-N 428.514 2.253 30 10 IEEE C[C@@H]1C(=O)N(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCN1S(=O)(=O)CC#N 1854787590 QQOSCUOCQPPUNK-BEFAXECRSA-N 445.928 2.385 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC(F)(F)F)C2)CC1 1855452169 NFUNJJZKFYGTOG-HNNXBMFYSA-N 443.447 2.286 30 10 IEEE CN1CC2(CCN([C@@H]3CCN(C(=O)c4cc(CC#N)ccc4Cl)C3=O)CC2)CC1=O 1856468775 SOIAIKDGAFLBMM-GOSISDBHSA-N 428.920 2.091 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2cccc(F)c2)CC1 1866868524 UVQGYJLIJGRMDR-MSOLQXFVSA-N 430.505 2.280 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(CC)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870004588 FEQAABAQZRNMGH-SFHVURJKSA-N 429.546 2.053 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1870143402 KQKVWHFGQZMUEO-UHFFFAOYSA-N 426.458 2.161 30 10 IEEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 1872801020 OXYAPBXDSRTONZ-UHFFFAOYSA-N 436.512 2.457 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC(N(C)C)CC1)n2CCOC 1873558063 GZSMXBHQKBTDNC-UHFFFAOYSA-N 426.565 2.422 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCOCCO)n2Cc1ccccc1 1873585661 OMCYVLFNGCXPJP-UHFFFAOYSA-N 435.528 2.397 30 10 IEEE COC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874346929 NBYUJDLHQRHEMA-CIAFOILYSA-N 428.470 2.458 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1889617938 WSNRFYWIPZZPJR-UHFFFAOYSA-N 433.618 2.194 30 10 IEEE CCN(CC)CC#CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1891286090 DSRZMDBPFNJXMA-UHFFFAOYSA-N 431.533 2.379 30 10 IEEE C#CC[C@@H]1COCCN1C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009819403 KRRTWWGABHVXLL-YKSBVNFPSA-N 427.545 2.407 30 10 IEEE C=CCC1(NC(=O)C2=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022920472 OWBQZOVWORIKFH-HZPDHXFCSA-N 437.537 2.253 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)nn1 2060623205 JRVPLUIFZGEWOX-PIMMBPRGSA-N 435.334 2.122 30 10 IEEE C[C@@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634346 YNGWDEXRLCWJNZ-LRTDBIEQSA-N 432.330 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)[C@H]21 2068906987 FFFUXBSSURJWDB-GVDBMIGSSA-N 434.342 2.411 30 10 IEEE C=CCn1ncc(NC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)c(Br)c1=O 2162335310 PJIGKIJBDFBHMA-ZDUSSCGKSA-N 442.358 2.155 30 10 IEEE COC1(CCNS(=O)(=O)c2cccc(C#N)c2)CN(C(=O)OCc2ccccc2)C1 2174780578 WJLWKTZFKNWPQA-UHFFFAOYSA-N 429.498 2.264 30 10 IEEE C[C@H](c1cscc1C#CCN)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186591442 NHRUXUAQYFDLGU-OAHLLOKOSA-N 445.566 2.067 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2215652695 FFPNPVXVUDWJIC-LBPRGKRZSA-N 448.305 2.463 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2235733208 ZTKFGFRMQKMHEU-KSZLIROESA-N 439.350 2.385 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2247918960 SDEZEKXAESMZND-UHFFFAOYSA-N 432.273 2.106 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC[C@H]1CO 2255378074 VIQKTOAKOFUARJ-JKSUJKDBSA-N 433.358 2.093 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2255628298 GIVJVWLZBWNGDK-OKILXGFUSA-N 434.346 2.179 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255833305 ARGOBXOOBYKRII-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)n[nH]1 2255872118 SCBGJPXBEWNECI-ZDUSSCGKSA-N 431.302 2.450 30 10 IEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CC2)ncc1B1OC(C)(C)C(C)(C)O1 2256626767 NVJSZXCRVFJMRU-OAHLLOKOSA-N 432.330 2.326 30 10 IEEE Cc1cc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 2267128162 OJDOCVCLGQYPLA-IBGZPJMESA-N 439.365 2.091 30 10 IEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1NC(=O)OC(C)(C)C 2267267374 WAWFDPFPWCJTAK-MSOLQXFVSA-N 446.353 2.350 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267275670 QSEPNBNCQWSYNL-UHFFFAOYSA-N 446.357 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2267519622 JLNPZKKCCVLGFW-HUUCEWRRSA-N 446.357 2.038 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)n1 2267525766 JFUQLNPQEJHEQZ-HOYKHHGWSA-N 436.365 2.207 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 2267535258 UOEZZHSGHDSXLP-ROUUACIJSA-N 436.365 2.062 30 10 IEEE Cc1ccc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267598050 VXSVEWAKSGRHSW-ZWKOTPCHSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCOC1 2268717331 KLKSVUBJDDUPCS-RHSMWYFYSA-N 447.341 2.249 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2271429140 KSYQSCOMPFILGR-HNNXBMFYSA-N 446.357 2.180 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)c(Cl)c2)OC1(C)C 2282491246 NAQUNQCKYOHANX-OAHLLOKOSA-N 443.758 2.165 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCC3(C2)OCCO3)OC1(C)C 2282512876 WHQSLPFRMAAOIG-OAHLLOKOSA-N 443.396 2.152 30 10 IEEE C#CCOc1ccc(C=C2SC(=O)N(CC(=O)O)C2=O)cc1I 2297617406 VKOZXRMFJYYRDF-UHFFFAOYSA-N 443.218 2.424 30 10 IEEE C[C@@H](C#CC(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2302418855 SIZJSFAYWUIMSC-INIZCTEOSA-N 439.553 2.029 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1O 21316880 UZZDFJBXKJRYCB-ZVBGSRNCSA-N 431.453 2.022 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)c1 59309953 BUFYFOHNYJNDEY-AWQFTUOYSA-N 444.521 2.349 30 10 IEEE N#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C(=O)N2CCCC2)S3)c1 65021461 LTVVDDSJWPPZLL-SFHVURJKSA-N 442.522 2.394 30 10 IEEE COCCn1c(NN=C/C(Br)=C/c2ccccc2)nc2c1c(O)nc(=O)n2C 254451928 NHRFJJDNYDGSLH-RUCWUFRFSA-N 447.293 2.316 30 10 IEEE C=CCC[C@@H](CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 320135787 AOABBGIBOJDQMU-VIFPVBQESA-N 428.146 2.399 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 441192578 WNFAAXTZGFSDIZ-MYGYKHERSA-N 441.528 2.364 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 461203809 URLMKGZQPUAAPK-UHFFFAOYSA-N 426.502 2.202 30 10 IEEE CCO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C12CCCC2 466435076 WCXLNTXSMRPMNO-VQTJNVASSA-N 446.573 2.312 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)C2=O)cc1 485992870 VAESUWRJYQDKRT-SFTDATJTSA-N 432.480 2.207 30 10 IEEE CCSc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 489487715 XOBFRTKUTCRQHX-UHFFFAOYSA-N 445.570 2.281 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)CC2)o1 503143668 FNQBKIUDANPFBT-LJQANCHMSA-N 446.515 2.126 30 10 IEEE COCCOc1cccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 504710007 YXJUFSIAPXUGIT-HXUWFJFHSA-N 436.468 2.105 30 10 IEEE CCCN(C(=O)[C@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 507818506 MEGOTJSWNMFGEU-PKOBYXMFSA-N 433.574 2.216 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 523466826 ZMUSKQRDEBVZHL-SFHVURJKSA-N 426.513 2.409 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCOCC 530317926 PUHYWDQTPGATGT-UHFFFAOYSA-N 445.560 2.067 30 10 IEEE CN(C)C(=O)CCN1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542035916 ZKVDFYIQXSEGEZ-UHFFFAOYSA-N 429.912 2.025 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCC3)c2=O)ccc1[N+](=O)[O-] 555711504 JGGZJMAUMAFJKJ-UHFFFAOYSA-N 439.493 2.424 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)c1C#N 558642018 GTHOBYHXGFWEHG-UHFFFAOYSA-N 436.476 2.064 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)nc1 561783168 DYCLSYAOPSNLIL-CYBMUJFWSA-N 429.424 2.442 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 566825237 KXIBGENFAVBSRJ-QRQLOZEOSA-N 431.562 2.179 30 10 IEEE CSC[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 570360003 JYKMRAGPBDMOQO-VAMGGRTRSA-N 443.569 2.440 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2Cc2ccccc2)cc1 572500530 BUUCHKVZWKGSHT-UHFFFAOYSA-N 441.539 2.266 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)c3cccc(OC)c3)cc21 586362899 XLXLPJLCUSYSSC-PMERELPUSA-N 427.478 2.421 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 603799668 UORVMAXSAAFDAG-IBGZPJMESA-N 449.507 2.370 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cn1 609640538 ARKIVZPRILWNIY-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 611917497 GVMXBLDGNFGFAX-UHFFFAOYSA-N 430.533 2.206 30 10 IEEE O=C1Nc2ccccc2[C@@]12CCN(CC#CCN1CC[C@@]3(C1)C(=O)Nc1ccccc13)C2 671243436 GXRVVSBATFTORL-UIOOFZCWSA-N 426.520 2.181 30 10 IEEE C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732443869 FAZLQGJXPFYWTC-KTVWJZFRSA-N 425.533 2.387 30 10 IEEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 735839708 FJYHJEQHFTZQNH-DOTOQJQBSA-N 429.521 2.362 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1 739526537 PDQVUNOQMABDOC-MMLYNDMRSA-N 447.557 2.460 30 10 IEEE C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(S(N)(=O)=O)cc1 754903404 GAAQKUABBYXFRX-NWDGAFQWSA-N 435.889 2.282 30 10 IEEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(C)C)c1=O 755625993 XAQYINIQIFGJAG-UHFFFAOYSA-N 426.586 2.296 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(C)c2C)C1 760303073 XLCYDZKAVDGMQY-RDJZCZTQSA-N 431.562 2.175 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C)c(F)c2)C1 760305586 TYTNGXXAOKQLON-GDBMZVCRSA-N 435.525 2.006 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 763213323 RKMYTGMJAANGNJ-RTBURBONSA-N 436.597 2.106 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@H](S(C)(=O)=O)C2)cc1OC 764431987 HODNCBVAKGNUFH-KRWDZBQOSA-N 426.535 2.260 30 10 IEEE N#CC1(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CCN(Cc2ccccc2)CC1 779547038 QWDPEULMIIBFRY-UXHICEINSA-N 436.537 2.365 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccnc2C(N)=O)c1 787072784 SFOAGESPQPPKDZ-ULJHMMPZSA-N 429.502 2.026 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C#N)cn2)C1=O 788835944 YMXOOORSCKTIPY-VQTJNVASSA-N 449.511 2.436 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC 796456872 WLHKLIOMBLANHU-IBGZPJMESA-N 432.517 2.496 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)nc1C 800488966 WOKZOSVOPINVCX-XJBFLRJNSA-N 425.539 2.450 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 810738659 ZAJNNZOLBRUJIO-LFYCCGFASA-N 448.519 2.044 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 812185202 VHLLEEKGUALTLO-UHFFFAOYSA-N 426.521 2.339 30 10 IEEE N#Cc1cc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)ccc1C(F)(F)F 856531001 IQISSIMHYPGRHO-LSDHHAIUSA-N 438.431 2.116 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1O 1084167020 MCFWNTJCKZJQNR-ZDUSSCGKSA-N 441.517 2.122 30 10 IEEE CCc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1122502082 CVWQMALAQTXPPZ-MSOLQXFVSA-N 442.516 2.412 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnnn2-c2ccccc2)C1 1136427032 ZCUINCJSBRPYCC-UHFFFAOYSA-N 438.289 2.049 30 10 IEEE COc1ccnc(N2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)n1 1136509389 MMUGDFWMLFLDLT-UHFFFAOYSA-N 438.337 2.055 30 10 IEEE CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1155487257 RMEZCIXFECOOTL-VKJFTORMSA-N 448.545 2.209 30 10 IEEE CC(C)[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 1161688877 CFLGIXSHKWEAIE-VQTJNVASSA-N 435.933 2.364 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1167061700 DKVIDSWZGHKOGB-UHFFFAOYSA-N 443.507 2.184 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)n1 1271204244 GMSRMIATDKXXFX-MRXNPFEDSA-N 445.317 2.380 30 10 IEEE CCc1ccc(C(=O)N2CCc3cc(C#N)ccc32)cc1S(=O)(=O)N1CCOCC1 1275604579 HUZNXOGPHVXKCV-UHFFFAOYSA-N 425.510 2.344 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286392718 MWRNNXLEGLAZFY-FQEVSTJZSA-N 433.622 2.123 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(CC)CCS(C)(=O)=O 1286567740 WGHGBGGFYIBTEJ-AZUAARDMSA-N 433.578 2.116 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1286762832 NIFPNAORVFEBOJ-HXUWFJFHSA-N 440.573 2.381 30 10 IEEE C=CCNC(=O)Cn1c(N2CCSC3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286793769 LSRVNAZHPSTENZ-JOCHJYFZSA-N 449.621 2.489 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1287486070 CMRBLCHDXGDLIH-JOCHJYFZSA-N 438.576 2.210 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1288099395 AEYCASIMSNCSRY-VLIAUNLRSA-N 437.520 2.114 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2ccco2)CCOC1 1288283806 YKVFMCXDEQAOHP-KKSFZXQISA-N 430.509 2.080 30 10 IEEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 1291107292 HUYYLQKCBVDLCB-NXWNEQKCSA-N 448.637 2.431 30 10 IEEE CC/C=C/Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1293716450 BEEKAGYEHJWLTJ-OVKVCFKUSA-N 446.563 2.483 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2COCCO2)c1 1300331286 HMCQUDDBKUEIQK-LJQANCHMSA-N 435.484 2.318 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCn2cc(Br)cn2)c1 1300332200 ZXWHTNAVROPOEW-UHFFFAOYSA-N 442.321 2.302 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1Cc2ccccc2O1 1300544767 FFUFMKGYOZZFJE-GOSISDBHSA-N 431.521 2.346 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCC)CC1 1300691052 NLUFUBSFWGBBHE-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2csc(CC)n2)CC1 1300727373 YSOLNMWXXZICSI-UHFFFAOYSA-N 449.584 2.297 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1300897685 UCVJIVGUXGVWMY-ZACQAIPSSA-N 442.568 2.089 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1301043938 ACXJJHHRYSZRDV-UHFFFAOYSA-N 439.969 2.102 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1301272055 AWCBQFKFHCOKIM-CYBMUJFWSA-N 447.483 2.500 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1301439812 HIKWPQRMNDVZPQ-RTWAWAEBSA-N 433.484 2.192 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301482787 ZVTLEZYNXAJTME-FPOVZHCZSA-N 438.576 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cccn2)CC1 1301492611 LCQIHYODQOQYEA-UHFFFAOYSA-N 440.939 2.409 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CC1 1301964863 FBXSKYDGZGTOMB-INIZCTEOSA-N 439.545 2.304 30 10 IEEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1303457626 SSSJUSCKRIDLPA-GOSISDBHSA-N 444.440 2.383 30 10 IEEE COC(=O)c1ccc2cc(CCNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)oc2c1 1305084320 HZZOCTABHLBDDW-UHFFFAOYSA-N 440.477 2.365 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315827861 SRWCUFHADDRGRB-NXWXRZEISA-N 434.560 2.358 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(-n2cncn2)nc1 1358896000 VPTKGVYXRWZYJW-GOSISDBHSA-N 428.500 2.382 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358928342 AELOGKJGRHXFTN-IEBWSBKVSA-N 425.537 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(C)(C)O 1358976906 WTXGCKKEWYHQNE-UHFFFAOYSA-N 432.528 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1358994184 HBEZKYNRKKJGJT-HSZRJFAPSA-N 449.555 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2oc(CC)nc2C)CC1 1359045086 WQIDUKUEOUEFQJ-SFHVURJKSA-N 440.548 2.393 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359097188 LUELCTKPUFLFMT-LPHOPBHVSA-N 433.578 2.278 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359219256 KZNFSNBMUJMNFY-UHFFFAOYSA-N 440.523 2.355 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359271829 FFPIKAXYUBQICN-DBXWQHBBSA-N 436.578 2.087 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)nc2)C1 1359320762 VFWKDBINPUVKJL-RBUKOAKNSA-N 439.564 2.300 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)C1 1359322056 PBAZKEOFDQTBBU-VQTJNVASSA-N 446.573 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1359329827 WFNOLXKOBWVMSM-QFIPXVFZSA-N 441.557 2.424 30 10 IEEE Cn1nc(C2CCOCC2)cc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1438216741 LIPXMXKZKXINSL-QGZVFWFLSA-N 436.472 2.029 30 10 IEEE C#CCN(C(=O)c1ncnc(O)c1Br)C1CCN(C(=O)OC(C)(C)C)CC1 1455810126 IJEBGNBOZFEUFC-UHFFFAOYSA-N 439.310 2.420 30 10 IEEE Cc1noc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)n1 1458696947 WXWFMKXQLKAZKV-UHFFFAOYSA-N 425.470 2.167 30 10 IEEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1 1463090308 LZRVIVYAKMHHHB-OAQYLSRUSA-N 429.498 2.275 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CCc1c(C)nc3c(C#N)cnn3c1C)CCS2 1463272707 AXNBRDROLDAFRZ-WIVVBHTDSA-N 441.557 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 1466197884 RRYPRGNIBDZPNO-OAHLLOKOSA-N 431.455 2.306 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(S(=O)(=O)CC(C)C)CC3)n[nH]2)c1C 1466456044 PSKNSDLBLOSGHP-UHFFFAOYSA-N 448.593 2.256 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1474948654 RUAQJQXTAQCJKK-LJQANCHMSA-N 445.493 2.445 30 10 IEEE CCCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1501201233 CDPTXPXKXLGXHQ-UHFFFAOYSA-N 425.512 2.409 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H](O)C1 1503603442 OHGAMWIVTNFISP-PKOBYXMFSA-N 431.562 2.239 30 10 IEEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)n1 1503665095 GFJHFVJATBOIKD-GOSISDBHSA-N 436.520 2.053 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)cc1 1504215702 HBTCXKAKLSVUND-FUHWJXTLSA-N 431.562 2.102 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1507628238 VYLYLVWLHUHPCD-HXUWFJFHSA-N 442.585 2.411 30 10 IEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1507631305 NVZAAULJOBPPPJ-OAHLLOKOSA-N 447.561 2.069 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507633980 HMUCDTYVAZVBED-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCNC(=O)c2occc2C)CC1 1507720380 KGGYHJDPHBSTII-UHFFFAOYSA-N 436.516 2.323 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507726711 DFWJDBJHORLAHD-PMACEKPBSA-N 442.633 2.185 30 10 IEEE C=C(Br)Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1507792083 DMJSRRLKLLYITB-AWEZNQCLSA-N 446.415 2.489 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1507843629 PFQSNONAPFPBCP-VQTJNVASSA-N 447.580 2.376 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1508074996 ODFWNKXILYQBBX-RHSMWYFYSA-N 430.896 2.102 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1508076838 IACUCEBCFPQMNU-AWEZNQCLSA-N 426.443 2.222 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCC(O)CC2)C1 1508117374 MKRSGYNRHRUHIJ-FQEVSTJZSA-N 426.565 2.277 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCCC2=O)c1 1508426661 HNQBCWYPDGWHAS-QGZVFWFLSA-N 435.532 2.171 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1508434816 UOKHZVKBZCYKQZ-NRVIRDBHSA-N 448.568 2.450 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCO[C@H]2CCOC2)CCOC1 1509806173 TXIWAONSIQRKBX-UGKGYDQZSA-N 433.553 2.254 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1511165460 DLQXJRJHZURXNU-NRFANRHFSA-N 429.484 2.404 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513035651 DTNDSFMHTWCDFW-UFVMTTLYSA-N 429.569 2.096 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1515245981 CBILYQXDCAUXFT-UHFFFAOYSA-N 439.497 2.071 30 10 IEEE CCOCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516681207 QQJVCZDZVPIWEZ-LJQANCHMSA-N 425.537 2.192 30 10 IEEE CN(CC(=O)NC1(c2ccc(C#N)cc2)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1526785142 HYWVQAFYZPDECE-UHFFFAOYSA-N 428.470 2.283 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1538974055 QTGWUOOCHJTSPB-UONOGXRCSA-N 425.942 2.079 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(F)(F)F)cc1 1539272942 HMVGCCPDUGTPQX-UHFFFAOYSA-N 431.418 2.420 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1539566076 DQKPOBKTYHLWEI-OAQYLSRUSA-N 431.562 2.015 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC1CC1 1540134318 UYIHOEFOTUTACL-UHFFFAOYSA-N 440.523 2.372 30 10 IEEE CCO[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C1CCOCC1 1540747112 QPKFOZCLNXKQTN-FQEVSTJZSA-N 429.496 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1540868341 AYABAWNDWJDIDD-UHFFFAOYSA-N 441.561 2.348 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1540868388 CQXFGLRAUNTGCZ-LJQANCHMSA-N 431.544 2.353 30 10 IEEE CC(C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1Cc1ccc(C#N)o1 1541365287 OTINOEAGBXGPOU-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE COc1ncccc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1555128196 MOIGZNQILCMWHG-SFTDATJTSA-N 430.484 2.213 30 10 IEEE Cn1ccnc1CNc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1556457876 SBMKTTABZTUTNK-NRFANRHFSA-N 428.496 2.435 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)cc21 1558615595 XUSNJJULCFQNJC-UHFFFAOYSA-N 442.497 2.301 30 10 IEEE CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1561090720 CUMSCFSGCQEJTE-CQSZACIVSA-N 432.365 2.251 30 10 IEEE CC(C)(C)OC(=O)CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCC1 1583175028 PDXKKMAMGCMXIS-UHFFFAOYSA-N 435.546 2.228 30 10 IEEE COc1cccc([C@@]2(C)CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 1584630303 NWJYKQKYPVCBOL-AOMKIAJQSA-N 427.526 2.424 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)c1ccc(Br)cc1 1584709150 XZPRKWGGFUSKKX-QAPCUYQASA-N 445.317 2.136 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1587975192 RMDDCBPNXYESEE-HSZRJFAPSA-N 436.516 2.111 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCNS(=O)(=O)CC 1588099799 ZQEWOTJFRDKEOO-UHFFFAOYSA-N 425.514 2.094 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(C(N)=O)CCOCC1 1588250522 FYLYRBFHAIIOTC-UHFFFAOYSA-N 449.555 2.219 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1588968321 ICXUTPLUHCWXRR-NRFANRHFSA-N 444.624 2.291 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O 1589357733 GMVIDJVPJIQQCL-UHFFFAOYSA-N 448.774 2.493 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1593872489 HZOPTNVIQMEMEC-NWDGAFQWSA-N 429.930 2.016 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CCCN(CC(F)F)C2)nn(-c2ccc(F)cc2)c1N 1595533766 UNIHRTCWJRVFFX-AWEZNQCLSA-N 434.466 2.491 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595569148 AYFQDLMIHYNORK-FQEVSTJZSA-N 440.596 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCCC2=O)CC1 1595773036 NEZLHBCMCBMJKM-UHFFFAOYSA-N 447.561 2.039 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1597331516 VAQQYTGXOUOZCZ-HXUWFJFHSA-N 435.576 2.339 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1614410751 BFLYKOKFXVKCBZ-WMZHIEFXSA-N 438.532 2.260 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCSCCO)C[C@@H]1C)C2=O 1615246208 RXVPOSUKGVDNHH-YBTHPKLGSA-N 441.933 2.479 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCOCC)CC1 1615959047 LPCKVORYTSPWBK-UHFFFAOYSA-N 425.537 2.485 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1 1618025929 NLGDTVVRDJJNHZ-UHFFFAOYSA-N 425.403 2.346 30 10 IEEE CO[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1618962820 UDELTDAPUFGJMW-BHYGNILZSA-N 442.486 2.316 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619614286 GYQHILUXPLPCNJ-FQEVSTJZSA-N 446.490 2.395 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1620291169 QPHYNBFECLFERD-LJQANCHMSA-N 440.573 2.397 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccccc2F)CCO1 1620356481 ZOJGPEXQOJUIRT-RDJZCZTQSA-N 430.509 2.030 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCCC2)ccc1Br 1621615096 AWWUMOHBMUFDEE-CQSZACIVSA-N 430.349 2.007 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cc1OC 1623886691 ULJQITFAHZZTLH-WEVVVXLNSA-N 426.444 2.410 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)Cc1ccc(Br)cc1C#N 1627895794 NVVKGYUQXMYPOQ-HNNXBMFYSA-N 426.311 2.207 30 10 IEEE Cc1c(C(=O)NCc2ccc(C(=O)NO)cc2)nnn1-c1ccccc1Br 1634104785 LPUADQKVWDBFLC-UHFFFAOYSA-N 430.262 2.387 30 10 IEEE C#CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1638331219 NRCZDGKDJFSLCR-QGZVFWFLSA-N 439.553 2.123 30 10 IEEE CSCc1noc(CCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1 1638640345 GMPMBLBQZOBQHT-UHFFFAOYSA-N 426.296 2.048 30 10 IEEE O=C(Nc1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1)[C@@H]1CCCO1 1639049407 BLBYGNPPXPMSBV-IBGZPJMESA-N 437.452 2.322 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](CO)CC3CCOCC3)C2)C1 1639748205 ILKPEJJOSCCRDB-VITVIVDCSA-N 435.565 2.315 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)s1 1640916060 IWQNXMQFQZQHIW-ROUUACIJSA-N 433.555 2.273 30 10 IEEE Cc1c(Br)cc(C#N)c(=O)n1CCOCCN1C(=O)c2ccccc2C1=O 1641049010 DUQZWUWAILQQGR-UHFFFAOYSA-N 430.258 2.104 30 10 IEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1641926682 CGAYQCIJAYCNKM-UHFFFAOYSA-N 435.528 2.276 30 10 IEEE Cn1ncnc1C1(O)CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1643709518 XDAWARJUAHKURD-UHFFFAOYSA-N 426.292 2.448 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)cc1 1647769643 XWESORKDAAMZQD-UHFFFAOYSA-N 431.445 2.203 30 10 IEEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](c1cccc(C#N)c1)C(F)(F)F 1659904409 UCGILRGPCBMMLX-KRWDZBQOSA-N 442.419 2.046 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC1 1661651244 SUPXSYCGJMALSY-UHFFFAOYSA-N 428.230 2.419 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1662651650 NTKBZMZJMHXIOJ-SJORKVTESA-N 448.463 2.240 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OC 1665544645 QGIHMAPHBQDDRZ-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE CC#CC[C@H](CO)NC(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1678354913 JIZKNAYOSVUDOR-NHCUHLMSSA-N 443.569 2.397 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCc2nc(C3CCOCC3)n[nH]2)CC1 1680304687 WVBANGVODQMLOX-UHFFFAOYSA-N 425.493 2.155 30 10 IEEE C#C[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 1682344923 OSAVHZRLVNUVFF-SFHVURJKSA-N 434.449 2.028 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1689886731 FIBOJGGJRAZYDI-SFHVURJKSA-N 429.546 2.073 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cc(Br)cn1 1689957032 NQMTUYDYKSVXEU-UHFFFAOYSA-N 443.305 2.445 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690273378 UQJCWEHSIHSOIN-UHFFFAOYSA-N 437.464 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCCCC2)CC1 1690722180 AKBSUHFJIQTNIT-UHFFFAOYSA-N 444.605 2.396 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1nnc2n1CCCCC2 1692527717 FNDHAMZIPMFATE-QFIPXVFZSA-N 439.568 2.107 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN(C)C(C)C 1696333419 ZSMUKAZISTVIAF-UHFFFAOYSA-N 426.569 2.138 30 10 IEEE CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1696802093 AJDJFHDTTZAIBA-LAUBAEHRSA-N 446.552 2.149 30 10 IEEE COCc1nc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)cs1 1697834008 PZPXNDUXBRGSQB-YJBOKZPZSA-N 432.550 2.393 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C1 1698210984 XBZLFKZFPCGOTE-GOSISDBHSA-N 440.529 2.475 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OCC(N)=O)CC1 1705527713 IEAWNMSLUYVUOT-UHFFFAOYSA-N 431.924 2.491 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705543858 VLCPCGFDACGWCZ-JOCHJYFZSA-N 439.541 2.157 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1705669154 FAZLTNXAVBJQGC-GOSISDBHSA-N 429.326 2.215 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1705797276 STEWKBXBCFTVJZ-ZGXWSNOMSA-N 425.533 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705900884 SJNBDOMNWNYOEA-RTBURBONSA-N 438.580 2.128 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705902692 LLGARNUUSXLUOZ-CQSZACIVSA-N 439.969 2.160 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1708153676 ZJKMXAHJTPPBAH-APWZRJJASA-N 438.532 2.211 30 10 IEEE CCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1709858325 RJRGKEMLPJNTFK-UHFFFAOYSA-N 436.472 2.192 30 10 IEEE COC[C@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712181018 RWCMPZBMOKQJLM-UYAOXDASSA-N 442.539 2.233 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(N)=O)c1 1722344005 RUSVMYOVKFRRPZ-UHFFFAOYSA-N 427.306 2.263 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722359875 QIHRBQSHPRCOAM-OAQYLSRUSA-N 443.617 2.474 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1722367481 WJTWTTMUSOTMNR-HKUYNNGSSA-N 446.548 2.061 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)C(C)C)CC1 1722442978 KYUNUXPSPOBARF-JOCHJYFZSA-N 444.967 2.366 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722458403 IPCJIMSBOKMVGC-UHFFFAOYSA-N 444.649 2.483 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCSC)CC1 1722565935 GAFCYQDXJWZQFM-KRWDZBQOSA-N 443.639 2.301 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722672489 RTDVCGXQFGRMNI-JKSUJKDBSA-N 447.527 2.243 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1722738662 NEWKMGSNCODYHJ-VQIMIIECSA-N 426.608 2.106 30 10 IEEE Cc1ncsc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1724102792 DVARUVRZWSUKKD-INIZCTEOSA-N 434.591 2.318 30 10 IEEE COCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730678780 AHNSZRNIKPFLEP-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1740573314 AZJOTTWTQQMIEW-UYAOXDASSA-N 449.621 2.416 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740588053 GZRLVPRFSNJFRJ-UHFFFAOYSA-N 433.491 2.318 30 10 IEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 1740594825 CGJALTWRTSUQLB-AWEZNQCLSA-N 432.322 2.345 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1cccn1 1740644710 QFSGSWGHFHHDKT-UHFFFAOYSA-N 427.512 2.211 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCOC)CC1 1740689696 GVQZPYVHJWVGGM-UHFFFAOYSA-N 444.967 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CC(C)(C)C2)CC1 1740710563 ZIMHEYDZSUYHMR-PMACEKPBSA-N 443.592 2.404 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1740724751 IGLPAAWLLHFZSC-HRAATJIYSA-N 431.562 2.075 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CC#N 1741711752 QBVYEWXTCLOAAJ-ZDUSSCGKSA-N 425.946 2.060 30 10 IEEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C)(C#N)CC2)s1 1742730010 YAJNREXGDBUFTB-UHFFFAOYSA-N 428.566 2.437 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1744688840 FZKZFHYEZJEHPM-UZLBHIALSA-N 428.512 2.229 30 10 IEEE CCOc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1746856732 BWNXQRPMMKHXGL-GOSISDBHSA-N 429.546 2.367 30 10 IEEE CCOCc1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1Cc1ccc(C#N)o1 1747178452 ZXNQMKUQXSOGPA-UHFFFAOYSA-N 438.488 2.500 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(C)CN(C2CC2)C1=O 1748964304 IPEGBSJPOOZKNG-QHCPKHFHSA-N 425.508 2.105 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)CC1 1748999252 NGMRGEHPFVJKLE-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](OC)C2CC2)CC1 1749009641 DOTMQBUOHKLYRE-FQEVSTJZSA-N 425.508 2.475 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1749033257 CEHJGSLDYRLCCC-WBVHZDCISA-N 444.536 2.178 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](COC)OC)CC1 1749293220 FURXZURGXNXPMW-SFHVURJKSA-N 449.577 2.013 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749352740 UZEQBJKWSUKNCM-GOSISDBHSA-N 427.553 2.218 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1749670575 UEDHSSKLXXESQJ-QZTJIDSGSA-N 441.532 2.141 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1749676575 VLXHYMORGTZNOC-UHFFFAOYSA-N 448.527 2.146 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1749740343 CXDXFMJKTXWUEL-DENIHFKCSA-N 446.573 2.137 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1749741028 NLCKWNCOEHHBJR-GOSISDBHSA-N 447.517 2.201 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C(C)=O)CC1 1749827407 BLNJOZKSKVLKOB-UHFFFAOYSA-N 435.532 2.442 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1750076181 LLYSGCNIFYZELM-CVEARBPZSA-N 434.541 2.219 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1750212436 ILLGBPHXXBLDNI-RYQLBKOJSA-N 432.525 2.113 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1760182791 MDWUSPCZBMJJOA-GOSISDBHSA-N 435.638 2.324 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)CN1CCOCC1 1760207925 CDJRTOLPXNAMEO-NJDAHSKKSA-N 427.593 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCC 1760216542 RNJXDCFWCZLISF-UHFFFAOYSA-N 432.528 2.472 30 10 IEEE C#CCSCCn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1760286742 UDUFWHYSORHVAR-AJTFCVKESA-N 449.621 2.180 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1760489274 FAWHOYNUERRLID-AZUAARDMSA-N 438.580 2.186 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760520642 VKECKWODCYAJRY-IBGZPJMESA-N 442.470 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(F)(F)F)CC1 1760521475 UEMXSHDNUKNFON-UHFFFAOYSA-N 440.426 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1760557847 XOVFLCKWIXRQBW-KRWDZBQOSA-N 435.594 2.018 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H](O)C1 1760690220 BCKZIOMPFIQXPM-ZACQAIPSSA-N 445.593 2.385 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1NC(=O)NC1=O 1760690566 OOFSVBMTEQLKOX-NHYWBVRUSA-N 433.875 2.322 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1761370460 BPEPUERDBDBOKW-WAIKUNEKSA-N 440.548 2.370 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCCO1 1764994197 SKHMVJNRSAWSLH-UXHICEINSA-N 438.532 2.117 30 10 IEEE CCCCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1765726063 WGZVVRWLNGAQHR-DQRAZIAOSA-N 448.531 2.279 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1766741732 KYZADNALEUCPSN-ZBSNKRKSSA-N 438.351 2.205 30 10 IEEE CN1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)CC1(C)C 1767526426 AUYZBEGJNYDWBF-UHFFFAOYSA-N 449.563 2.232 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C#N)o1 1769119826 MNROGYUWZYUKEN-CQSZACIVSA-N 438.488 2.294 30 10 IEEE COCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771237641 NZNBANCSUQPHPC-UHFFFAOYSA-N 449.515 2.405 30 10 IEEE O=C(NCC#CCN1CCOCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1851728622 NMYYDPDHFZQWKZ-UHFFFAOYSA-N 444.885 2.422 30 10 IEEE Cc1cc(C)c(C#N)c(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)n1 1851972653 FWJITMNDWKXXPP-UHFFFAOYSA-N 430.512 2.306 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1852591773 OBERHHMCWQUUKL-GFCCVEGCSA-N 447.467 2.145 30 10 IEEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3nncn3C3CCCC3)CC2)cc1 1853415661 JWIFENNNYOMWER-UHFFFAOYSA-N 439.564 2.073 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)c3ccc(C(F)(F)F)nc3)CO2)cc1 1853893875 DCKOCYGJBQJWPF-ZDUSSCGKSA-N 427.360 2.134 30 10 IEEE C=CCC[C@H](C)C(=O)O[C@H]1CON(S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)CC3)C1 1855313295 IGNXOGDORVBZOF-HNAYVOBHSA-N 436.530 2.041 30 10 IEEE CCC[C@@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OC1=O 1856225875 VPYOZIRGKHIREL-SJORKVTESA-N 437.493 2.445 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862558162 URIHNWRIPZGROP-NRFANRHFSA-N 437.496 2.188 30 10 IEEE O=C(NCc1ccccn1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933866 QEZOPLCTCZNIKR-LJQANCHMSA-N 438.484 2.187 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccc(C)cc1 1870356490 OGSNKNRCOKVVGP-UHFFFAOYSA-N 439.556 2.256 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626626 YWDPRCFIVHMZMW-UHFFFAOYSA-N 427.516 2.260 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OCC)c(OCC)c3)C2)CC1 1872924755 AFJLUAHVHVDEFN-SFHVURJKSA-N 443.544 2.378 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N(CC)CC)ncnc21 1873593171 HYHTZGAYZCUTDL-UHFFFAOYSA-N 442.545 2.041 30 10 IEEE COc1cccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)c1O 1874298912 ZAJJWSWKZHUMKW-UDWIEESQSA-N 429.458 2.458 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(F)cc1F 1874336847 IVOGUYOFXCABRP-WAXRZFIUSA-N 437.472 2.428 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccnc1 1874431868 BUYIWXASSRSIAD-WYMPLXKRSA-N 437.529 2.485 30 10 IEEE C=CCC1(NC(=O)[C@@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1910958433 TVKREBVICPFPLH-CVEARBPZSA-N 439.553 2.429 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CO1 1964925506 STLUSNANXYWHRI-AABGKKOBSA-N 428.533 2.153 30 10 IEEE CC(=O)c1sc(C2=C(N)N(c3ccc(CN4CCN(C)CC4)cc3)CC2=O)nc1C 2084270767 QWCPUEBMBJYPIV-UHFFFAOYSA-N 425.558 2.118 30 10 IEEE Cc1ncnc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2116145218 KSUMJKIDJMZMQH-VQTJNVASSA-N 436.365 2.174 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)ccc1F 2174787918 ZGVHENHEVUJBRC-QGZVFWFLSA-N 433.461 2.013 30 10 IEEE CC(C)(C)OC(=O)NCCCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243685895 DGSCRGKREJXZBZ-UHFFFAOYSA-N 425.360 2.363 30 10 IEEE C#CC1CC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)(C(=O)O)C1 2247572756 ZZZBQELFADVKSV-RYZHXOGVSA-N 430.501 2.468 30 10 IEEE CN(CCOCCNC(=O)OC(C)(C)C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254793406 SHGVQBUFAYDZCN-UHFFFAOYSA-N 439.337 2.497 30 10 IEEE C[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)N(C)C(=O)OC(C)(C)C 2255615689 URUWAJFAGHUGDY-CQSZACIVSA-N 436.362 2.095 30 10 IEEE Cc1nc(NC(=O)[C@@]2(C)CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256636729 OZYDJEKMGAUOPD-OAQYLSRUSA-N 432.330 2.422 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2259922811 PUFKGTLGHYPRLQ-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE Cc1c(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267000303 WEMBMTHWKBGXFC-CQSZACIVSA-N 448.373 2.013 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267141060 VEPDGWBKHMBMDX-LSDHHAIUSA-N 448.373 2.426 30 10 IEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267456919 MBYBCDZPPKDNNG-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1ccc(NC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2268636902 IKGBGUYBBQUEFF-UHFFFAOYSA-N 445.369 2.442 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268654118 VQHIUBFSUIITRQ-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2268669978 FTWGFUQDEZDPGF-OAHLLOKOSA-N 448.373 2.447 30 10 IEEE COC[C@H](COc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1)NC(=O)OC(C)(C)C 2317544536 LVZUAQMCGJZQFN-CQSZACIVSA-N 438.330 2.308 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1OCCC 2330742776 RCGPREBAQWLCSJ-UHFFFAOYSA-N 432.550 2.204 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2336376697 XKKVIUQVDGRDGK-HNNXBMFYSA-N 448.373 2.426 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1C 2337397529 CZFOGFOOQKVKJZ-LPHOPBHVSA-N 438.381 2.278 30 10 IEEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 4464393 LGYLWMTVHRSFIN-DVCONVQISA-N 444.538 2.480 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NCc3ccccc3)cc2C1=O 16984467 GDBHDNWDROERRU-AWEZNQCLSA-N 435.436 2.040 30 10 IEEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 20907938 HHQRYJZZZVXXTD-ZVBGSRNCSA-N 435.469 2.174 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(=O)c4oc5ccccc5c4[nH]3)CC2)cc1 25173490 UQBRPKXCXIZYNO-UHFFFAOYSA-N 449.492 2.047 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 102542810 BMZAYSUMBLYOAK-SADKCHQCSA-N 437.496 2.234 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 109888656 MTMJOTWIVXHUAQ-QUCCMNQESA-N 434.521 2.447 30 10 IEEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F 254486387 WSTCUESNIBAYAD-NWDGAFQWSA-N 436.433 2.172 30 10 IEEE CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H](OS(C)(=O)=O)[C@@H](O)CO 256078333 DIGKQJJVWFSJQE-MUGJNUQGSA-N 426.616 2.497 30 10 IEEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3ccc(OC(C)C)c(C#N)c3)nn2)cc1 435842781 CWNAJRTYRULWJY-UHFFFAOYSA-N 434.456 2.190 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)O[C@H](C)[C@@H]3C)nnc12 438406390 ZDUUTEJDVSDNER-SOUVJXGZSA-N 427.530 2.347 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCn3c(O)nnc3C2)c1 438458092 HKDRMYFBFJIQGD-UHFFFAOYSA-N 434.481 2.242 30 10 IEEE Cc1onc(CC(=O)N[C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)c1C#N 476774663 GANXJCYWAGFZGP-YLJYHZDGSA-N 438.484 2.197 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)n1 483627202 ZPIAZOVFOWRLOO-LBPRGKRZSA-N 436.515 2.370 30 10 IEEE CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 484297175 SSZMWAFFGMZVGV-DHLKQENFSA-N 440.588 2.319 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 488974223 QMHHEKLARZZBQK-UHFFFAOYSA-N 425.507 2.205 30 10 IEEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 508880014 JNBGKIBRXMTYPJ-NRFANRHFSA-N 438.576 2.090 30 10 IEEE COC(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 511409778 FWFPOIIKBTXQGI-UHFFFAOYSA-N 436.468 2.493 30 10 IEEE CN1[C@H]2CC[C@H]1CC([C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(Cl)cc1)C2 548981803 LZXPTAXJFPKMEZ-LWYYNNOASA-N 438.981 2.313 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(F)c1 557849361 NPZSCTQVTMSMHM-UONOGXRCSA-N 433.436 2.034 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 563781030 XLESDYTXSWPDIY-RBUKOAKNSA-N 447.561 2.147 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1 577251884 DYPWYSRXYZGZOT-LJQANCHMSA-N 427.530 2.342 30 10 IEEE O=C(NCc1cccnc1)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673822 VAOZUZWZEQTYPK-XWOJAEQMSA-N 441.447 2.346 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(F)c1 610083510 KLAPTGICEXAOLY-UHFFFAOYSA-N 437.880 2.263 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccoc3)c2=O)cc1 727416120 GCJIWKHRMDIZHS-UHFFFAOYSA-N 449.532 2.453 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CCN1C1CC1 732650703 CCQCOIWIVQPEHP-FQEVSTJZSA-N 428.492 2.338 30 10 IEEE C[C@H](Cn1cncn1)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 732878175 KYDNWWBKIKHUHN-ZLNYZARCSA-N 433.538 2.081 30 10 IEEE C=CCn1c(-c2ccco2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1=S 747832857 PFQSHDFYHRKELJ-SDADXPQNSA-N 432.502 2.243 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)ccc1F 752508737 ZGZJVGJBNPKKOV-AWEZNQCLSA-N 426.267 2.491 30 10 IEEE N#C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCN1C1CC1 756697761 TVVJPZYUBJKJHP-ZWKOTPCHSA-N 431.334 2.139 30 10 IEEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC1(C#N)CCCC1 758975464 QBQSIKZYLQUMSQ-UHFFFAOYSA-N 434.562 2.197 30 10 IEEE N#C[C@H]1CN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)CCN1C1CC1 765456894 IBVYEKKOOIPBBS-INIZCTEOSA-N 438.513 2.470 30 10 IEEE N#CC1(c2ccc(C(=O)OCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 777177228 SXHICKJJWRXSBE-LJQANCHMSA-N 430.526 2.357 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 782758745 IBJROMMPPOPOPQ-BJZITVGISA-N 443.491 2.071 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C)CC2)c1C#N 788106557 NHYNTFQJZBGIPQ-MAUKXSAKSA-N 445.568 2.077 30 10 IEEE CN(C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C1(C#N)CCCCC1 796416715 MEKQFZDHAIWTNB-FXAWDEMLSA-N 443.548 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)c2ccc(C#N)nc2)C(F)(F)F)CC1 801086087 HMBUYJNXZKDSML-OAHLLOKOSA-N 427.427 2.167 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)ccc2c1=O 802243106 YEQCRBYJPQHSJU-YJBOKZPZSA-N 429.542 2.169 30 10 IEEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2CCS(=O)(=O)CC2CC2)n1 803181525 GZKKCNWYBUAEJP-UHFFFAOYSA-N 428.543 2.274 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 803627541 PLALNPUTGRGQAO-PKOBYXMFSA-N 428.533 2.479 30 10 IEEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)O[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)c2C1 803835994 AJOUCYSHPPWPRM-FNKIUMDLSA-N 443.548 2.058 30 10 IEEE C#CCC(CC#C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 807393021 SQRQXRRLEFTPHM-QGZVFWFLSA-N 437.359 2.381 30 10 IEEE C#CC[C@]1(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)CCCN1C(=O)OC(C)(C)C 808597817 WJRHXEYHIUFPTO-IEGUWTFLSA-N 434.533 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@H]1CCCO1 812263638 CHECLDNMIIPAOE-ZWKOTPCHSA-N 431.562 2.044 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)c1ccc(F)cc1 812937314 XICZHMFPKVSFKT-FQEVSTJZSA-N 430.505 2.403 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2cnn(C)c2)C1 849572664 CRMOENBYLVQNIZ-ZRBLBEILSA-N 448.571 2.417 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)CC1 915660023 SDUGUDDIPXYRCN-BVZFJXPGSA-N 445.523 2.231 30 10 IEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)ccc1O 1084235372 LCCAXYSBSGJVAX-UHFFFAOYSA-N 448.534 2.038 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1128456699 NRFYXQHHMCLBCT-MJGOQNOKSA-N 444.532 2.370 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1129591188 UEAXWXCNWCUWTM-UHFFFAOYSA-N 441.307 2.097 30 10 IEEE CON(C)C[C@H](O)Cn1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cn1 1137576828 ZWDWCHBFRXPKKI-NRFANRHFSA-N 435.484 2.440 30 10 IEEE C#CC[C@H](CO)NC(=O)CCCc1nnc(-c2ccccc2I)o1 1141593827 OKMBAMUBYLNCQM-GFCCVEGCSA-N 439.253 2.164 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1)C(=O)OC 1141994953 DIKZPTFEPGVYFG-PBHICJAKSA-N 435.318 2.291 30 10 IEEE CCNC(=O)c1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)s1 1149714990 UHOPWNLEKKRDGU-NSHDSACASA-N 434.543 2.262 30 10 IEEE CCO[C@@H]1C[C@](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)(C(=O)OC)C1(C)C 1154490737 GZJAUMDTEWCSAA-HXOBKFHXSA-N 436.549 2.500 30 10 IEEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OCC 1158280567 KLCGZKHJQSJDFO-BXWFABGCSA-N 438.546 2.112 30 10 IEEE CCOC(Cn1ncc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1N)OCC 1163651847 CTWKXVZKDWAYRB-GOSISDBHSA-N 426.521 2.087 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c1 1164382350 JISKRMQPAWGQJM-UHFFFAOYSA-N 449.573 2.365 30 10 IEEE COC(=O)[C@]1(C(F)(F)F)CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1190145351 HFHGOSYSHLDCSB-ZDUSSCGKSA-N 441.225 2.437 30 10 IEEE C#CC[C@@H](CO)NC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1222353477 WYJWZMQNXYXLHJ-SFHVURJKSA-N 426.483 2.291 30 10 IEEE N#Cc1ccc(OC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)c(I)c1 1270731117 VHFYLJAJCBIZTN-DTWKUNHWSA-N 438.143 2.383 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1-n1ccnc1 1286401084 NOPGCWNKUUBUCP-DEOSSOPVSA-N 430.512 2.237 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1286450238 BBBFMCQFTXPSMP-UHFFFAOYSA-N 446.360 2.173 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1286472245 FSYMNOQEIOWHRG-VWLOTQADSA-N 448.571 2.344 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN2CC=CCC2)CC1 1286490566 YEQACFNSOPQCBA-UHFFFAOYSA-N 448.571 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC2(COC)CCC2)CC1 1286492181 DLSJIBGQBSYUHB-FQEVSTJZSA-N 443.592 2.345 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286504348 LXSNOKXDSVADLZ-IBGZPJMESA-N 449.584 2.184 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286536499 PQXQIIDFFOGSLD-MPGHIAIKSA-N 445.358 2.295 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286564242 MMJPGASFIUGYGS-WIYYLYMNSA-N 445.589 2.259 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1286564249 FXRHEYQRWVQJCF-FUHWJXTLSA-N 439.626 2.417 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1286606568 URPFFGZFQKWTCS-AUSIDOKSSA-N 425.533 2.228 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286782813 HGOXWCXMGMAYBN-GDBMZVCRSA-N 447.879 2.023 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)c2ccccc2)C1 1286799759 AAJOPFLMUVLFOD-MJGOQNOKSA-N 431.562 2.383 30 10 IEEE C=CCSCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1286837506 YIVLHTXZIRIGFU-LVCYWYKZSA-N 438.594 2.234 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1288999270 LEMKQDFMESXVML-IRXDYDNUSA-N 428.924 2.166 30 10 IEEE CN(CC1(O)CCOCC1)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1296433795 VUKLFUVJICONSW-IBGZPJMESA-N 429.517 2.392 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300411449 JPSYNHOXVIFHNT-OAHLLOKOSA-N 437.516 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(C)C 1300579384 UNHDIMNTHKFPTB-RTBURBONSA-N 445.614 2.008 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)cc1 1300671267 GSYBHBHPZCTBRP-KRWDZBQOSA-N 436.965 2.162 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2c(cccc2OC)C1 1300768702 WHVJUGMRUAREAC-UHFFFAOYSA-N 425.558 2.338 30 10 IEEE COC1CCN(C(C)(C)Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1300781745 CJLXKGKZFHWGDF-UHFFFAOYSA-N 425.537 2.011 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOCC)CC1 1300885479 PTHOAKSLPDCYBQ-HKBOAZHASA-N 433.597 2.312 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(C4CCCCC4)C3)CC2)cc1 1301032085 AHCMOWNHGHBWON-FQEVSTJZSA-N 444.601 2.482 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1301091592 KMLGVMUHLGBCLO-UHFFFAOYSA-N 443.573 2.203 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301258314 PUUVCAMDFIWVRB-ZCNNSNEGSA-N 430.505 2.233 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1301478929 RCEFFPKHRSVIPH-UHFFFAOYSA-N 430.940 2.320 30 10 IEEE COCCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1301524867 FXPKQHCEHRSBMN-HXUWFJFHSA-N 425.472 2.179 30 10 IEEE COCCN(C)CCn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301727947 PBJQDYLNFDDOSP-UHFFFAOYSA-N 447.543 2.367 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC(F)F 1302954840 SIEZOCBFQARZDM-HNNXBMFYSA-N 434.495 2.483 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)CC1 1303941588 DFTPUUXNAONZCQ-ZWKOTPCHSA-N 448.593 2.097 30 10 IEEE Cc1cc(Br)cc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)oc12 1305590497 RKMYJMUJNXFNFU-UHFFFAOYSA-N 429.230 2.335 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)n[nH]2)c1 1306906638 CCHZHHCQZFAJCS-UHFFFAOYSA-N 445.483 2.236 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1307959015 JTGAZWORHZCNAB-HOTGVXAUSA-N 449.518 2.066 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C)nn(Cc3ccccc3)c2C)n1 1309464463 IAQCZCTXNWJPJL-UHFFFAOYSA-N 441.557 2.215 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)c1 1309585715 VSOFBHNTZUOSHP-NHCUHLMSSA-N 428.510 2.123 30 10 IEEE CN(C)CCOCCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314670640 MTYLDJXVWUBMRA-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE N#CCC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)CC1 1316536430 RDMLDIIJXZPILW-UHFFFAOYSA-N 425.472 2.203 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 1332222008 ANTOXIASPXPVCC-IKGGRYGDSA-N 428.537 2.469 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 1332222009 ANTOXIASPXPVCC-IXDOHACOSA-N 428.537 2.469 30 10 IEEE Cc1nc2sccc2c(=O)n1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1351511402 CPXYJZNXNXQPPP-LBPRGKRZSA-N 427.873 2.415 30 10 IEEE N#Cc1cc(C(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)cnc1C(F)(F)F 1353066093 GASPNXNAJOTVNL-UHFFFAOYSA-N 440.403 2.245 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOC(C)(C)C)c1 1358901946 AWXSXCCUFKCYHA-SFHVURJKSA-N 438.532 2.101 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCOC2(CCOCC2)C1 1359083666 OMSCBUZDEQAKKM-HNNXBMFYSA-N 427.343 2.467 30 10 IEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359224975 ISEFDDIQABWRMI-KRWDZBQOSA-N 426.521 2.102 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](OCC)C1 1359296437 JGYJRTDLIQMIQY-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1435127731 JHYXKIOMHMCIRO-IBGZPJMESA-N 426.542 2.096 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 1437905191 VSYZVMQWAGFPCQ-QFIPXVFZSA-N 446.573 2.074 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)Cc3csc(S[C@H](C)C(N)=O)n3)c2C#N)C1 1437997837 ALCNCLDKSRVJRR-SECBINFHSA-N 449.583 2.128 30 10 IEEE Cc1cnn(-c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(N)cc2F)c1 1447488251 UDALKXGIHYTRLF-GUYCJALGSA-N 428.468 2.391 30 10 IEEE C=CCC[C@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OCC 1449724477 FKMNPPDUXMFNAL-KRWDZBQOSA-N 445.520 2.424 30 10 IEEE C#CC1CCN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1452175242 ILWYEPUVUXVGFC-QGZVFWFLSA-N 440.569 2.416 30 10 IEEE N#Cc1cccc(C2(NC(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CCOCC2)c1 1453580773 DMVGBMSPOSBQRE-SFHVURJKSA-N 426.494 2.305 30 10 IEEE C=CC[C@@]1(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CCCN1C(=O)OC(C)(C)C 1463429535 NRUJFNBVHSUEJR-NRFANRHFSA-N 442.578 2.138 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OCC(F)(F)F)o3)CC2)cc1 1464034518 NJYBQDMVNXIQHX-UHFFFAOYSA-N 443.403 2.239 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC 1464514945 FQZOLBCRYOASOR-MSOLQXFVSA-N 442.578 2.383 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 1464617101 JTULUWQLSKMOAI-UHFFFAOYSA-N 433.574 2.147 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1464930527 NHRFQXDVOXTHKN-PKOBYXMFSA-N 449.596 2.165 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 1469757557 FCPFMBXRXZAXOS-QFIPXVFZSA-N 437.519 2.296 30 10 IEEE CN(CCOCCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C(=O)OC(C)(C)C 1470847751 AWPZPFLMNHJTHL-SFHVURJKSA-N 446.552 2.423 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)C1 1505126456 DKMLNZMVWMYWCZ-LNLFQRSKSA-N 447.536 2.490 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](F)COC)c1 1507549975 CWWCDQDJWQXWKC-SFHVURJKSA-N 436.491 2.305 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1507561491 QKVLDASTWHYMGX-JKSUJKDBSA-N 427.509 2.117 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507572353 HAGVWFXIEVZLBB-HXUWFJFHSA-N 441.580 2.329 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccs1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507635237 UTXOZVWBXMFYIY-ROUUACIJSA-N 447.630 2.366 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1507646716 XUOHGOZYRBPWHX-DENIHFKCSA-N 438.528 2.477 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1507680061 WQAKHYLMIJSOTN-LSDHHAIUSA-N 439.969 2.469 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1507743681 ATSLSBANTYEDGS-MRXNPFEDSA-N 443.573 2.421 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](C)C1 1507842125 DKVUHFLOMIQUMX-CALCHBBNSA-N 448.593 2.445 30 10 IEEE C=C(Cl)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507875865 ZPWCYUFUZMDKOD-HXUWFJFHSA-N 425.961 2.424 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1507982304 SCAXGTJALCBQLF-QGZVFWFLSA-N 431.541 2.414 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(F)cc(F)cc2C1 1508096144 BUYJHOMLJVPZNH-XOBRGWDASA-N 447.486 2.145 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)C1 1508128141 YURWGHSCKYVIAX-PWRODBHTSA-N 433.597 2.310 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1509947630 BMQXQOFWEKLVKU-WMZOPIPTSA-N 444.561 2.279 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CC1 1510295800 SJAJJTUNVGZQCN-UHFFFAOYSA-N 449.968 2.159 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br 1511975522 ZISMJRVJVKCJAS-LLVKDONJSA-N 439.264 2.471 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1516129397 HIYSIMRSSDJCHN-HTAPYJJXSA-N 432.569 2.175 30 10 IEEE O=C(CCN1CCCS1(=O)=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538726273 HCFSYBWFKBHXQW-RKDXNWHRSA-N 444.344 2.041 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1538976177 JMQIYHHCHBYYBQ-GBXCKJPGSA-N 445.608 2.422 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1539094376 OYCLHLIQJOUINI-FXAWDEMLSA-N 445.589 2.442 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539111480 WHWPZOPIJWLIMF-LJQANCHMSA-N 435.576 2.323 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(Cc2cccs2)CC1 1539260170 LPHOKSRCXPJEIF-HXUWFJFHSA-N 436.585 2.276 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1cccs1 1539300630 WFYQJNWQNPZGSL-VXKWHMMOSA-N 428.558 2.362 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)cc2)CC1 1539431561 VOBIXLLMCDDJON-DEOSSOPVSA-N 441.551 2.456 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nccs2)CC1 1539436063 HWUAIZAIWLBKKU-UHFFFAOYSA-N 438.557 2.417 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCOCC1 1539645604 RKECNJWIRPCVDQ-APWZRJJASA-N 431.562 2.478 30 10 IEEE N#Cc1ccc(OC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(I)c1 1540190469 UYBGAKLOGUYPJE-TXEJJXNPSA-N 436.205 2.019 30 10 IEEE CN(C(=O)[C@@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1CC1 1540575051 HEOIKZVUIVWSNM-GDRCOGEISA-N 448.589 2.296 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC)c2)C1 1540881957 YAMMKJIIEBSELT-GOSISDBHSA-N 441.532 2.361 30 10 IEEE CC(C)(C)C1=CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541143508 NQMSAMFBJLLANB-VZCXRCSSSA-N 448.531 2.444 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OCC)C[C@@H]2CCCN2CC)c1 1542260252 RPLCUBHCXISOPW-FQEVSTJZSA-N 448.585 2.363 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C1 1555711130 QCYWYNXYDHLTIA-LJQANCHMSA-N 435.532 2.282 30 10 IEEE CC(C)(c1nnc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)o1)S(C)(=O)=O 1556520419 SMYTZWDQSCKMAQ-UHFFFAOYSA-N 436.465 2.044 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 1556710816 SUUKAFWNHIKBIP-OPAMFIHVSA-N 441.553 2.337 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(F)nc2Br)s1 1558502838 JVFIAVWWAVCBLJ-UHFFFAOYSA-N 448.339 2.368 30 10 IEEE COC(=O)N1CC(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1564602629 HLQFOHRGNXVMED-OCAPTIKFSA-N 425.276 2.249 30 10 IEEE CCOC(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1566186425 GQJOUKHRKGZZSI-SFHVURJKSA-N 442.545 2.215 30 10 IEEE N#CCOc1cccc(OC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1584858155 KIZRQZFGLCVXJM-SFHVURJKSA-N 431.426 2.256 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cnnn1 1587579822 KHYQILLGPUOJOV-LBPRGKRZSA-N 433.289 2.381 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2cccnc2)c1 1587692397 DFCVKXZLFGRBJG-FQEVSTJZSA-N 430.512 2.476 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1587856406 KUNUVPPXDQBCTK-HKUYNNGSSA-N 432.546 2.372 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1588263260 SALVWVPKHCQHOX-GOSISDBHSA-N 431.924 2.127 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1588400061 VAZYBIFJXVCDGZ-MOPGFXCFSA-N 446.596 2.388 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1589151188 UDJVWPOSKAFWSQ-CKEIUWERSA-N 427.521 2.316 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1594732626 GLAHUOAMEAVLHE-HUUCEWRRSA-N 435.516 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1595789115 NDBSBZHBHZQPKD-WMLDXEAASA-N 447.536 2.093 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC(F)(F)CO1 1602851324 WRFALKRDXJGHSI-CABCVRRESA-N 432.479 2.202 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1612917715 OFVDJIJODDYSRW-UGKGYDQZSA-N 437.592 2.314 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1617697359 OQWGSEUFQLEPAY-KRWDZBQOSA-N 438.454 2.162 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3CCC(C#N)CC3)CS(=O)(=O)[C@H]2C1 1626056404 BJBZOHOFGZNPGF-ILEACXBISA-N 439.578 2.103 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3cnc(I)c(O)c3)CC2)nc1 1627843603 XXFGAPMHBLBINA-UHFFFAOYSA-N 449.252 2.057 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 1633141072 QJRBQBWWLBPEIW-FQEVSTJZSA-N 425.554 2.463 30 10 IEEE Cc1ccc(C(=O)NC2(Cc3ccccc3)CCOCC2)cc1S(=O)(=O)NCC#N 1636661327 RRCYROXUMURNSB-UHFFFAOYSA-N 427.526 2.319 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 1639023103 FJXCXVDXFCOTKC-CQSZACIVSA-N 446.495 2.100 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 1640916061 IWQNXMQFQZQHIW-ZWKOTPCHSA-N 433.555 2.273 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1643806837 CSWIPXHHWQRQKF-UHFFFAOYSA-N 445.539 2.289 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]3(c4cnn(C)c4)CCCO3)ccc2c1=O 1646419081 AHMNDBBJNDRGPP-OAQYLSRUSA-N 425.514 2.040 30 10 IEEE N#C[C@]12CN(C(=O)NCCc3cc(Cl)ccc3Br)C[C@H]1CS(=O)(=O)C2 1670753702 WSOJCXNWZUSZNX-BLLLJJGKSA-N 446.754 2.225 30 10 IEEE COC(=O)c1cc(OC)ccc1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1670758777 AIDLYKIVBISIQY-UHFFFAOYSA-N 429.498 2.301 30 10 IEEE CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)NCC2(C#N)CCOCC2)CC1 1685718898 AHSMRWZOVJAZQE-UHFFFAOYSA-N 448.589 2.368 30 10 IEEE C#CC[C@H](CCOC)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1686543833 ZXSBZNJGEGSINA-PKOBYXMFSA-N 435.590 2.343 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689994117 RGZCADCAGZWPHP-RLLQIKCJSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1690043138 QFOXURSESJXFHZ-UHFFFAOYSA-N 430.512 2.138 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC(C)(C)C1 1690085437 AFVFOBGFGKFWDU-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccoc1 1690088771 WQDJEXTUKONJGU-HNNXBMFYSA-N 431.493 2.309 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCOC2)CC1 1690110564 QUCVGJYEDBXKQH-HXUWFJFHSA-N 436.560 2.329 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)CC1 1690119347 BCWQCNNSQYHNBB-UHFFFAOYSA-N 436.585 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1690137704 HCCYMZXIBMWLSG-MRXNPFEDSA-N 432.569 2.055 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)[C@H](C)CC)CC1 1690148409 FYRSRECRWVPSJB-NQIIRXRSSA-N 438.576 2.291 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1690260713 UYABVKBCRVLETD-UHFFFAOYSA-N 435.550 2.404 30 10 IEEE C=C(Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1690325616 CIMLBYKGRGBJAZ-WZONZLPQSA-N 425.533 2.311 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690361253 MGUIICGRKLYPMD-KCYZZUKISA-N 426.945 2.309 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690470509 DHJXSKGRQKTNOI-AGIUHOORSA-N 425.477 2.011 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690490226 STDHXOLCZIYFJG-UHFFFAOYSA-N 441.536 2.062 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1690668635 CJROIVXFTDYDKC-UHFFFAOYSA-N 431.500 2.137 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690715961 YSFKEGMWMKFQCE-UWVAXJGDSA-N 426.583 2.167 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1692466903 BDCNJRDHUJPMKG-NRFANRHFSA-N 434.548 2.259 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1692660533 CSIJUEJJENPYBD-INIZCTEOSA-N 441.561 2.080 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694040376 DCCFSDUXMAAYEW-JTDSAVPOSA-N 438.536 2.045 30 10 IEEE CC[C@]1(C)CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1694453659 BECSVXISLKYQFC-QIEZACGCSA-N 430.553 2.398 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1695793963 GWFPPNFWNVAJKM-UHFFFAOYSA-N 449.563 2.023 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NCc1ccccc1 1705478507 COQMKIKYDFWGJV-NTKDMRAZSA-N 439.560 2.483 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1705889594 LSPASNXLCXOIAH-ZDUSSCGKSA-N 444.517 2.037 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705896342 JQTJINTYUGUQLH-CJNGLKHVSA-N 434.422 2.275 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 1705911821 QZPNGYICDYNPFM-GOSISDBHSA-N 438.576 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1705932298 RJOVXVZBDRVJBV-INIZCTEOSA-N 442.545 2.067 30 10 IEEE C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1708129500 CQOGHLPVTMHTJO-MCQGMECGSA-N 435.532 2.273 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C(N)=O)cc1 1708476814 ANEQCXACJJCZOX-CQSZACIVSA-N 431.500 2.474 30 10 IEEE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712464295 GGQUHYGYJYWVMH-ZCNNSNEGSA-N 427.505 2.098 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722324966 CDYPBPYGLSYWIZ-RTBURBONSA-N 441.557 2.009 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1722355324 UGZRLRXKLYWXPV-QGZVFWFLSA-N 426.477 2.169 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722363128 QSZZZZJWUKDEQU-SJORKVTESA-N 430.505 2.404 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722372044 OINDTNRZMNIBCY-FQEVSTJZSA-N 428.558 2.074 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722425900 PNNXZOLIJXQEAO-BGYRXZFFSA-N 440.592 2.238 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2sccc2C)CC1 1722430311 ALPPPCJKRGMNDI-QFIPXVFZSA-N 429.590 2.492 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722522199 DOCRKIAWQWOWEN-GOSISDBHSA-N 426.496 2.297 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC2CC2)CC1 1722568475 NZAXATKVNSBUTL-UHFFFAOYSA-N 449.602 2.251 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1722678722 WGWSVNCPCPMVRK-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CC)C1 1722710601 LJQQNFSGKFEAOO-QFBILLFUSA-N 433.578 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCSC2)C1 1722729657 STCAOOSWZXEEQZ-FQEVSTJZSA-N 433.603 2.198 30 10 IEEE C[C@H]1COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1726753255 NIKWWONWZGCBKQ-BTYIYWSLSA-N 434.466 2.310 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1728201224 BLOACGWFHFKSCX-FQEVSTJZSA-N 449.559 2.086 30 10 IEEE CC#CCCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)[C@H]2COC[C@H]21 1735798490 SPZAJLMBNOMUNC-FIQGOXITSA-N 426.557 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1740551429 UOJXABXOWYBKTK-UTKZUKDTSA-N 425.533 2.095 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740574568 MBSZXGQKZNVGPJ-QZTJIDSGSA-N 446.577 2.134 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1740626720 WAWSZYJAWNRFAG-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1740699895 XPFVTNFVSXMSTL-LJQANCHMSA-N 431.487 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCNC(=O)c2occc2C)CC1 1740701983 GRNYXMHYPRDYMD-UHFFFAOYSA-N 440.548 2.089 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740768574 MKQOOILNUBYJIB-PXNSSMCTSA-N 426.583 2.157 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740792886 BMGDNERDAIKEQX-UHFFFAOYSA-N 437.548 2.475 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740863523 AGAKORDILSJBQH-PKOBYXMFSA-N 448.593 2.331 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1740876547 UFZMTOQNMWRZIQ-ZWKOTPCHSA-N 437.610 2.279 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1)C1CC1 1740910387 NLYGKCVEQJAUDI-SFHVURJKSA-N 443.573 2.073 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740981586 PNXFTFVFPWMVSB-PKOBYXMFSA-N 434.537 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1740995037 YDPOSWYIBJUIHZ-ROUUACIJSA-N 435.594 2.160 30 10 IEEE CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1741315938 BGXLYNZZMDZLNW-NHCUHLMSSA-N 442.539 2.094 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1741992653 CBFWILHTOBKMCL-HZPDHXFCSA-N 446.458 2.190 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1743657761 SRCQFVOZSXUFDK-XLSPSMHOSA-N 438.573 2.438 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1748747286 FZCCYHZPHQIGGJ-IBGZPJMESA-N 441.580 2.243 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1748819762 TVFNWFVZMYZNBJ-IBGZPJMESA-N 428.558 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1748958603 CGWAYWNRHRKDMW-MRXNPFEDSA-N 434.500 2.201 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749028683 GGYKWFOETIJQKW-HXUWFJFHSA-N 436.585 2.342 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1749032440 HOQXTXNMLREEDB-MRXNPFEDSA-N 443.577 2.453 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749047502 XUZJZSUWNZHMJC-MRXNPFEDSA-N 431.537 2.454 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749458630 JFTXHOPVOWMRCH-QGZVFWFLSA-N 436.472 2.389 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1749464902 HSVMVLXUBGYFNZ-HNNXBMFYSA-N 449.581 2.089 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)no1 1749591831 ZTFLFXUAXBZPJW-MRXNPFEDSA-N 431.518 2.353 30 10 IEEE COCCCN(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1749686149 VWOPFELXMRAQHP-ZZEZOPTASA-N 428.468 2.083 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(C)(=O)=O)C1 1749710087 VSUSDHMEASRANV-QGZVFWFLSA-N 443.529 2.426 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@H]1C 1749741136 QNEYZQOZTYTSAU-BRWVUGGUSA-N 426.583 2.023 30 10 IEEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H](C(F)F)N1CCOCC1 1749753660 UNXMSDBEZKXNHC-GOSISDBHSA-N 434.491 2.255 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C[C@H]1OC 1750189889 BHPHSQIMLBDSFD-XQBPLPMBSA-N 427.505 2.148 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1751000691 FQUSBTKIINZKJE-GOSISDBHSA-N 442.589 2.218 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1760148271 UMBYMPMVGRKRPA-MRXNPFEDSA-N 427.505 2.099 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)cc1 1760200631 PQZJZPYEUQQYDQ-UHFFFAOYSA-N 436.516 2.498 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC2CC(OC(C)(C)C)C2)CC1 1760261935 XFKOCYVINZMAAU-UHFFFAOYSA-N 442.608 2.140 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1760272150 AGYKFCGWIVJOEX-PKOBYXMFSA-N 430.622 2.236 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760285892 ULXCJZYZGKCMTH-UHFFFAOYSA-N 427.574 2.452 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1760296245 ZPJNFMICYNEZDS-FOIQADDNSA-N 449.964 2.300 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760359027 BCBOIOLELTZLRP-PZJWPPBQSA-N 439.560 2.379 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1760367159 DSUUJRQRZZGCAD-CYBMUJFWSA-N 435.912 2.425 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCSCC1 1760501244 KMRXWHYUPNGXRD-SFHVURJKSA-N 430.578 2.106 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C)cc2)CC1 1760526260 IYOIHYUNSUYFJP-UHFFFAOYSA-N 448.575 2.077 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1761620957 YCBQBWVPMKRXSD-XUTLUUPISA-N 435.488 2.348 30 10 IEEE Cc1ccc(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)c(=O)n1C 1761789780 DHHOBEVCEMZGNN-AWEZNQCLSA-N 444.499 2.245 30 10 IEEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1765570032 QCBNPAJSADQDLA-OAQYLSRUSA-N 446.600 2.103 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1767575927 OJHSXSYODIXAMI-FUHWJXTLSA-N 432.532 2.094 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CCO1 1769522295 TWLLZRBCJSEUJY-LJQANCHMSA-N 427.436 2.361 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)CCOCC1 1770069453 ANMLZYWWWMYDMR-GOSISDBHSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1771297332 BGXNAZFXLYKXOD-MXBUBSDBSA-N 446.596 2.100 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)COc2cnc3ccccc3n2)cc1 1851491732 IAGJFFUHLNPVDV-HXUWFJFHSA-N 448.479 2.203 30 10 IEEE CC(C)Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cn1 1851987456 QQAPEXZTMKQGRR-VQTJNVASSA-N 432.532 2.171 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 1852080301 GFJADZAUNKPTKE-VQTJNVASSA-N 435.484 2.132 30 10 IEEE Cc1ccc(-n2nc(C)c(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)n2)cc1 1852502340 JPEHKQNSRXHNKJ-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE C=CCN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)CCCN1CCS(=O)(=O)CC1 1853572678 NQKKWGCWQYPXFP-UHFFFAOYSA-N 434.537 2.241 30 10 IEEE Cc1ccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1F 1857026675 OMMUNGLWQPSLGW-SFHVURJKSA-N 435.521 2.007 30 10 IEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862480036 WEACAHYJFXWFCV-NRFANRHFSA-N 436.464 2.481 30 10 IEEE CCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c(C#N)c1C 1865943815 WDALPEIGQFYFFL-UHFFFAOYSA-N 447.494 2.424 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866582277 RRSIONQENSXJLT-AZUAARDMSA-N 425.510 2.049 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1 1869041208 DCZWIZUFJKLPBJ-XJKSGUPXSA-N 447.337 2.190 30 10 IEEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870560111 HZFUHCMLHVLZAF-UHFFFAOYSA-N 447.539 2.157 30 10 IEEE COc1cc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)ccc1O 1874344248 DLUOBNAIGPQPOG-WSDLNYQXSA-N 427.486 2.073 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cnc2C#N)[C@@H](S(C)(=O)=O)C1 1877652715 JWKVOYZAPBOQAO-KBPBESRZSA-N 445.339 2.160 30 10 IEEE O=C(NCC#CCN1CCCCCC1)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889031339 XVMXELBCCTZHAR-VXKWHMMOSA-N 426.586 2.225 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(COc2ncccc2C#N)CC1 1891143585 FJTOVAVKBXKRFU-QGZVFWFLSA-N 425.514 2.173 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891327578 RNRYSCVCBRRWCN-GJZGRUSLSA-N 440.529 2.135 30 10 IEEE Cc1noc(CCCNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)n1 1892092869 PMBLJBZIMHRVJY-PMACEKPBSA-N 427.530 2.392 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@](CNC(=O)OC(C)(C)C)(COC)C(=O)O 1904337559 FYQAZMBUBRGVGM-HXUWFJFHSA-N 431.530 2.042 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2009972818 SCKJAFRNVRLNHJ-GJZGRUSLSA-N 441.525 2.378 30 10 IEEE C=CCC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2011919999 LJKHMHPRLAUJFD-JKSUJKDBSA-N 439.553 2.286 30 10 IEEE COC(=O)[C@H](CCNCc1occc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2039820475 CDUBTFBQHWQEPO-HNNXBMFYSA-N 438.330 2.125 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247880839 MIIDDKPDLWOJEH-CQSZACIVSA-N 440.371 2.177 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]12 2247917524 FRPDLQCSHLZMTP-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255597234 PDPYSIZNHLIGOK-ZDUSSCGKSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255619370 OPCWRCSFQHKSSA-ZDUSSCGKSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255631993 HCITZNIQTURTQC-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)n1 2255650401 ZHMFVWGVFYQKQN-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255821269 CCQAZHYGIQTZBT-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)co2)OC1(C)C 2267008830 JQAWRCVRELUABG-YUTCNCBUSA-N 442.243 2.250 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267090958 OKBANMWXVLKJPV-ZBFHGGJFSA-N 448.373 2.426 30 10 IEEE Cn1ncc(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267197889 PUWBJMSYWSKLAH-XMMPIXPASA-N 438.381 2.361 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267607586 AEEWQTVRYHZCCO-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268714607 BJDYDBOLBZVLOO-INIZCTEOSA-N 446.353 2.008 30 10 IEEE C=CC[C@]1(CN)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2287789601 FATIOVNXCXSODG-NHCUHLMSSA-N 437.537 2.100 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(F)cc2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296930531 PTWBOWCHRFVEOJ-GOSISDBHSA-N 430.388 2.165 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331571122 QKUBESFXDXUNMI-UHFFFAOYSA-N 433.475 2.402 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2336903431 QJIJMWLAXJDHQA-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCCC#N)c1 10405715 LUYGTMJBXXEHPM-UHFFFAOYSA-N 449.916 2.347 30 10 IEEE C=CCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCC)cc1Br 14669269 JSKSGXXZMORWPR-HNNXBMFYSA-N 439.306 2.298 30 10 IEEE C=CCN1C(=O)N[C@H](c2cccc(C)c2)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O 35965571 OHWNQUBWSJCGRS-HSZRJFAPSA-N 445.523 2.098 30 10 IEEE CCOc1ccccc1N1CC(=O)C(c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)=C1N 170178848 AQGPSIQZDUMWHU-UHFFFAOYSA-N 432.528 2.430 30 10 IEEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1c(C#N)cnn1C1CCOCC1 427794854 WDXUGYYYKZNIGG-UHFFFAOYSA-N 445.501 2.264 30 10 IEEE N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(F)c1 433514790 HMRXBSSCQOCYSG-UHFFFAOYSA-N 444.850 2.039 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCC(C#N)CC1 442983127 NGZUHQOUBSTOJK-JMLCCBQJSA-N 439.965 2.319 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460569322 BYUZWNDRDYDQHC-FQEVSTJZSA-N 426.540 2.327 30 10 IEEE COc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1OC 481056134 IOBBUPAMBQRISH-UHFFFAOYSA-N 447.488 2.002 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(F)cc1 515682733 BUFMJGGEGDDFRL-UHFFFAOYSA-N 436.464 2.495 30 10 IEEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 523305563 CZSHYFJDKAMMBA-SFHVURJKSA-N 438.549 2.360 30 10 IEEE C[C@](NCCS(=O)(=O)c1cccc(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 532827500 BPRANBIMJMPDCZ-GOSISDBHSA-N 425.432 2.341 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCNC(=O)C[C@H]2c2ccccc2)CC1 537161745 WSBVWPAVMJQAJJ-XZOQPEGZSA-N 449.530 2.098 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 543860639 CBQUDFSNBHWJEC-GFCCVEGCSA-N 447.538 2.177 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)n1 546177925 AGASHXLKORJFMB-FQEVSTJZSA-N 434.500 2.103 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CC(=O)OC)C1 549301743 AZSBWOYOMNDYEB-AWEZNQCLSA-N 438.326 2.391 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCCO2)CC1 559183990 XWNDZXZTEJQPPQ-FQEVSTJZSA-N 438.576 2.247 30 10 IEEE C[C@H](C(=O)Nc1ncc(Br)cc1I)n1cnc(C#N)n1 562017293 ADFGJOIQPPVYQH-ZCFIWIBFSA-N 447.034 2.112 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)ccc1C#N 567156966 HBSDPTMLMHNEMB-UHFFFAOYSA-N 437.500 2.041 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 572810044 NOQPAZFYQGYRPZ-QAPCUYQASA-N 449.552 2.450 30 10 IEEE C=CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603507609 RDRAHRMBCXDWHB-UHFFFAOYSA-N 431.470 2.306 30 10 IEEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1Cl 610877601 IYSNRNXABXYGDJ-UHFFFAOYSA-N 431.855 2.490 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 672197534 ICQNQTYMDWYKJD-SFYZADRCSA-N 439.303 2.465 30 10 IEEE N#C[C@H]1CNC[C@H]1c1cc(I)c(O)c(I)c1 687744782 LKLPYANBONMVFR-YUMQZZPRSA-N 440.022 2.428 30 10 IEEE C[C@@H](CN1CCN(C)CC1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 730143813 VUJRSPFORBDNEI-KXBFYZLASA-N 447.580 2.062 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccc2)cn1 730145041 VLTAVCMYLNDHHL-GOSISDBHSA-N 428.562 2.103 30 10 IEEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 733202469 RTSSYLBJPWLRFO-LRDDRELGSA-N 441.550 2.249 30 10 IEEE COc1ccc(C=O)c(OCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 734432955 AJLGWQULMNNGPG-SFHVURJKSA-N 425.466 2.298 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1 742810033 LUGTTXFPRKKRLE-UHFFFAOYSA-N 428.510 2.483 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 750961731 LTKSYNXSQNNTNS-BVZFJXPGSA-N 445.523 2.231 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)ncn1 756867006 DCAPGMFQTFOQBZ-IBGZPJMESA-N 440.573 2.293 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CC(F)(F)C2)C1=O 757916115 QQFKPAGDGZEVNM-INIZCTEOSA-N 435.500 2.355 30 10 IEEE COc1cc(OC)c(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(OC)c1 758382387 JCMYDOWXXZAUPY-XJKSGUPXSA-N 434.493 2.271 30 10 IEEE C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 767700841 UEFAJDZCAUXMNY-IAGOWNOFSA-N 438.546 2.488 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N 768418781 BMCKFQAXTXBUFH-IBGZPJMESA-N 428.497 2.335 30 10 IEEE CCOC(=O)CON=C(C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@H]21)c1cc[nH]n1 772588076 QFDDJRDMAAHXCH-OIISXLGYSA-N 448.520 2.195 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 780864236 YJIJNOYBMARZTP-FQEVSTJZSA-N 437.525 2.480 30 10 IEEE O=C(/C=C/c1cnnn1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 792865291 CTZQGONBKXRTCR-DHZHZOJOSA-N 438.509 2.243 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccc(C(=O)OC)cn1 793395539 KWWXROPREIORGI-KRWDZBQOSA-N 445.497 2.209 30 10 IEEE CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)c(S(N)(=O)=O)c1 797401330 CLAVNJAZWDJBBT-UHFFFAOYSA-N 446.348 2.336 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1 806748328 NJIOAZITXVIGQD-CQSZACIVSA-N 442.447 2.327 30 10 IEEE C#CCN(c1nnc(Cc2cccc3ccccc23)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812166932 OYIVVMLWDYWHTP-HXUWFJFHSA-N 438.553 2.295 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ncccc3C)n2C[C@H]2CCOC2)n1 812415532 HJBHHHHZQVMLEV-LJQANCHMSA-N 435.532 2.168 30 10 IEEE Cc1sc2ncn(N=Cc3nccn3S(=O)(=O)N(C)C)c(=O)c2c1-c1ccccc1 814735703 HGNUODBYFAMWLA-UHFFFAOYSA-N 442.526 2.167 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 877012478 UGCXYQISZVSSIM-LQZXRHCMSA-N 439.509 2.210 30 10 IEEE CC(=O)c1ccc(NC(=O)CCSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1083925435 VMJNMLSSOCRECQ-UHFFFAOYSA-N 439.501 2.467 30 10 IEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)ccc1O 1084057143 AGCPPRGBKXZYCJ-UHFFFAOYSA-N 445.480 2.412 30 10 IEEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)cc1 1084633137 HOBLTAMCLFHVBT-UHFFFAOYSA-N 438.561 2.221 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1132134884 YYOXPXNYRDJNMW-UHFFFAOYSA-N 438.509 2.186 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 1144429368 SRVMURMCRJKZQD-NXVVXOECSA-N 426.951 2.481 30 10 IEEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1149431783 FOITZGZKKVQGMA-UHFFFAOYSA-N 442.541 2.200 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 1161953498 PSRSTKCMPSOJTF-UHFFFAOYSA-N 435.546 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)CCCC(=O)Nc2ccccc2C#N)C1 1162108631 SKPCFPDJDVPYCM-UHFFFAOYSA-N 430.505 2.155 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1212343277 BRDUGAVCLRQTRR-FQEVSTJZSA-N 448.589 2.163 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1occc1C 1286287697 CGZGZPBGVLFXFJ-OAHLLOKOSA-N 438.488 2.185 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286350211 XIKRZPPFNBGJTP-FQEVSTJZSA-N 437.544 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1286427884 OJAXODVCCCVRJW-QZTJIDSGSA-N 449.527 2.034 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286714144 LSGYXLPZOBMPGB-QUCCMNQESA-N 436.516 2.036 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286748404 UROPZEPYSHXRJF-HNNXBMFYSA-N 432.575 2.367 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1COCCO1 1286765371 DKRNBNGNYKNIAM-HXUWFJFHSA-N 426.521 2.383 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286769634 GBDFODGFCUUXCH-QHCPKHFHSA-N 443.548 2.458 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286785900 TUFPRQMWRWBNCV-UHFFFAOYSA-N 441.486 2.191 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC 1286790397 DSJJDJLIALUIDA-MRXNPFEDSA-N 436.557 2.125 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1286962007 YZOBBROAKHTUMY-BRWVUGGUSA-N 446.577 2.441 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1287069548 URPXJPAMWVBXND-AWEZNQCLSA-N 448.474 2.401 30 10 IEEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)C(C)C 1287959976 CYYCFKZQPSEJMR-UHFFFAOYSA-N 432.594 2.416 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 1292305309 VKCYKZLDTSKGRL-NLZINVLXSA-N 447.507 2.288 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(COC)n2)CC1 1301124053 FQERZIUHONANNK-HNNXBMFYSA-N 437.591 2.234 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnccn1 1301481680 NWNBSXHKFCSITN-OAHLLOKOSA-N 425.468 2.286 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301491640 MGQKFFXITVTRSD-QHCPKHFHSA-N 425.533 2.330 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301542106 JUNGASAENABHMP-QQMHEVNUSA-N 438.488 2.154 30 10 IEEE N#Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1302991194 DKBITUGOFUNJRT-UHFFFAOYSA-N 431.422 2.461 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1303628492 XEIHKGZTBCKNOG-DOMZBBRYSA-N 447.446 2.273 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C(F)(F)F)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305136628 QEEAYBMTQIHYMR-OCWYSPMKSA-N 442.442 2.084 30 10 IEEE CN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)Cc1cc(C#N)cs1 1308112357 DVAWZNBNJLWKEZ-CAOOACKPSA-N 441.538 2.299 30 10 IEEE CCOc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1314208471 CHIGALPYZJCNON-UZLBHIALSA-N 433.509 2.069 30 10 IEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)CC1=O 1314925439 CGTXHCRUNPPTLW-SFHVURJKSA-N 435.557 2.460 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)C[C@@H]1C 1315132252 ZYUGEAKVAJSEQD-JKSUJKDBSA-N 428.493 2.041 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)C1 1316241952 ZSBHXKOIIBNNGW-HXUWFJFHSA-N 441.532 2.397 30 10 IEEE C=CCO[C@@H]1CCN(Cn2nc(C3CCN(C(=O)OC(C)(C)C)CC3)n(CC)c2=O)C1 1325206012 NAWUMGICSBKDMU-GOSISDBHSA-N 435.569 2.414 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358923828 CNICROLVDRXVEE-KRWDZBQOSA-N 448.980 2.411 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1358929813 IHULDXSISZSTFV-PKOBYXMFSA-N 447.561 2.267 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(S(C)(=O)=O)CC1 1358970251 JKJKEGVWNQIISN-INIZCTEOSA-N 430.505 2.207 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCO2 1359023335 HLLMDTTVCSMIRV-QGZVFWFLSA-N 439.516 2.022 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2OCC[C@H]2C)CC1 1359028227 LKXFBUPJWHRIAG-WIYYLYMNSA-N 436.560 2.327 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)N(C)C)CC1 1359030727 CYTOXMPWVYHBSF-SFHVURJKSA-N 446.397 2.131 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359057617 DUPNJILLJSLQBA-ICSRJNTNSA-N 446.665 2.222 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1359299594 IZQVGRJWFNKBMI-QUCCMNQESA-N 425.533 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359330368 PJORCSYZUUHOCG-KRWDZBQOSA-N 443.533 2.016 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359341927 KYBBBGCCMZFIJB-HNNXBMFYSA-N 449.650 2.152 30 10 IEEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1438174586 NAIMIESYIRODGA-KRWDZBQOSA-N 449.916 2.394 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1442635210 KVCAAPVXDZHVEV-UHFFFAOYSA-N 437.285 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1454281820 HUQWGQHISNOGFJ-BRWVUGGUSA-N 442.582 2.083 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC4(CCOCC4)CC[C@H]3CO)CC2=O)cc1Cl 1456059688 MLCCMECLCMTMQR-WMZOPIPTSA-N 431.920 2.345 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)s1 1465328694 SFVGVQXYEMFLPD-UHFFFAOYSA-N 428.967 2.381 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 1465367838 NHVZWNPCYSKHEN-GYGWLHPRSA-N 445.589 2.499 30 10 IEEE C[C@@](CO)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1469631336 KPDNIDSPRQAALI-QFIPXVFZSA-N 429.542 2.309 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(OCCO)CCC(F)(F)CC2)C1 1469729402 MABMOPMTIWMPLV-LSDHHAIUSA-N 446.495 2.002 30 10 IEEE COc1cc(OC)c(OC)cc1CNC(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O 1473077600 AXASSJMFTRUZGR-UHFFFAOYSA-N 425.363 2.081 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1504837036 KSRFQYBCEBWWNL-UHFFFAOYSA-N 436.520 2.015 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2cc(C)on2)n1 1507717491 UYWQOXANVMUJJU-UHFFFAOYSA-N 446.515 2.476 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)cs1 1511545829 LPPMBRFWZJLLNW-ROUUACIJSA-N 429.594 2.483 30 10 IEEE Cc1nccn1CCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1511607429 GTOAUMONIPSZMG-UGKGYDQZSA-N 443.552 2.033 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1515902948 SHNIBXDCKKCBSD-QTEQDKRBSA-N 447.628 2.158 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1516932490 LQZZLXASFFFLRD-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1516954209 RCXZZDGROKBCFL-IBGZPJMESA-N 432.532 2.413 30 10 IEEE COCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1518684938 QUBZXBKQWHAHRH-GOSISDBHSA-N 425.537 2.048 30 10 IEEE COC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1)OC 1518730550 FCQCTAOFKLVSPQ-MGPUTAFESA-N 432.550 2.061 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1530413118 QVQDNYWKPLZLBJ-FQEVSTJZSA-N 434.544 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCCC2=O)cc1 1539312771 YJUBPHKEVAPSDR-UHFFFAOYSA-N 441.539 2.312 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1539370085 STKQUFTUKWAIPV-LJQANCHMSA-N 428.558 2.477 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1539532907 FTXNUOSGHNFMCE-GOSISDBHSA-N 427.578 2.229 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1539630943 HMGXHOQEKKGSIL-NCYKPQTJSA-N 433.597 2.310 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCc2ccccc2)CC1 1539869783 YQHCQPMFYHMXGU-UHFFFAOYSA-N 436.560 2.275 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540913087 OAESTAAIAYOJKW-PXNSSMCTSA-N 443.621 2.181 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)C1 1540937776 GLPLYEKPWAEDSF-KNQAVFIVSA-N 435.576 2.462 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C1 1541053896 HYBMWUFNEOOSIT-IBGZPJMESA-N 432.532 2.260 30 10 IEEE CC(C)C1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541389543 KDMPCGRRBRGEPH-UFVMTTLYSA-N 428.537 2.181 30 10 IEEE Cc1ncc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1542958427 ADEOFDGLFFTQCB-VHEBQXMUSA-N 427.534 2.158 30 10 IEEE Cn1cnnc1[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1543706420 RLFJCVGVNFUIKM-IEEPAPPKSA-N 428.537 2.308 30 10 IEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1545708180 DNMCAIZKYDBADA-DODZYUBVSA-N 432.569 2.230 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(C(=O)OCC)c2ccccc2)s1 1558422019 XYUVPZLLSOGCAZ-HXUWFJFHSA-N 436.555 2.350 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3c4ccccc4OC[C@H]3CO)CC2=O)cc1Cl 1558747153 XMYWXICKTPFKNT-VTJXTGGHSA-N 425.872 2.423 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1559851078 ZOFKSZBIYHPXCG-MSOLQXFVSA-N 437.562 2.132 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1563578641 YYBPWZNBCPNQPT-UHFFFAOYSA-N 449.573 2.135 30 10 IEEE CS(=O)(=O)NCc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1 1565862263 FUHBIYJYJZFPQY-UHFFFAOYSA-N 438.303 2.387 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc(Br)ccc1OC 1588007287 ZZWNDEUCBNJEKI-UHFFFAOYSA-N 432.322 2.289 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1588219663 XYKWPPZKCGGJBT-HXUWFJFHSA-N 429.528 2.397 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1588263371 SNFPESHEPXHKRQ-UHFFFAOYSA-N 444.923 2.163 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1588314704 NZUIEPHLBCWNMN-UHFFFAOYSA-N 447.474 2.265 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1588384898 CZOZOJCRSPRPPK-MSOLQXFVSA-N 431.562 2.070 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CC(F)(F)C1 1588613371 YNVADYYPYXWHOR-UHFFFAOYSA-N 428.447 2.052 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cnn(C)c1 1589484450 TWNLGRQNPDBVER-RTBURBONSA-N 427.553 2.255 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589528951 JWVWIGMBHMWOBN-LNLFQRSKSA-N 433.578 2.499 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1595475770 FNJQXQWNQVCVGZ-MRXNPFEDSA-N 427.509 2.329 30 10 IEEE C=CC[C@H](CO)CNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1598058728 YIOGXNRDWOMTLF-XYJFISCASA-N 444.391 2.343 30 10 IEEE CC(C)N1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1608090130 VXRLUVUXXFQPNT-HNENSFHCSA-N 429.569 2.023 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC(F)(F)F)cs1 1612405292 DUQGRDYOXHYQQB-QGZVFWFLSA-N 441.483 2.442 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@@H]1C[C@H]1C 1613585346 CACIOWKOMAUIKP-RDTXWAMCSA-N 439.568 2.018 30 10 IEEE C#CCCN1CCC(NC(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1618545826 OOUZMOSBCYZZRZ-QPPBQGQZSA-N 427.545 2.407 30 10 IEEE CO[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1618941398 IJQQZNFBRYMROT-WBVHZDCISA-N 434.541 2.361 30 10 IEEE CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1620174207 YLCIHIHFPNHFND-ZWKOTPCHSA-N 432.525 2.113 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)cc1OC 1624608199 JECOUVIISYMNII-GOSISDBHSA-N 438.546 2.260 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCS(=O)(=O)c2ccccc2)C1 1626635309 HCNFZIIISYZDOB-UHFFFAOYSA-N 448.342 2.347 30 10 IEEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCc4c(sc(N)c4C#N)C3)cc12 1636719699 NDNOLJLDEQKKIP-JTQLQIEISA-N 428.543 2.162 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 1636959832 XVOJHRFDTGZUEM-HXUWFJFHSA-N 440.935 2.344 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2cc(C#N)ccc2O)cc1 1637620528 UFTWJLSGEBHTTA-VQIMIIECSA-N 429.498 2.150 30 10 IEEE C=CCCC[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C(=O)OC 1638401311 LFTRKHVKFUZRDL-SBUREZEXSA-N 427.501 2.390 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 1641643764 ZTNULJJNPQHQEX-AEFFLSMTSA-N 449.573 2.364 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](CC)OC[C@@H]3C)nnc12 1651132359 XOOPQJUOFHCJFZ-GJZGRUSLSA-N 427.530 2.348 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC)C1 1653284947 YLYXIMQQZZCMLJ-ZHRRBRCNSA-N 434.492 2.135 30 10 IEEE CCn1c(C)cc2[nH]nc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2c1=O 1654662956 XOXXKGJURSAHFG-UHFFFAOYSA-N 427.486 2.383 30 10 IEEE Cn1cc([C@@H]2CSCCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 1654917956 BLAMUJWACAXMIQ-MOPGFXCFSA-N 444.630 2.371 30 10 IEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)C1=O 1655137058 UZJMRECTCUQIKG-LJQANCHMSA-N 425.514 2.136 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCc3c(sc(N)c3C#N)C2)CC1 1655797221 OZUGDZPOCLOQAR-UHFFFAOYSA-N 437.569 2.290 30 10 IEEE COc1cc(CN2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)cc(OC)c1OC 1660553393 HKMVBSLRDPWFHP-UHFFFAOYSA-N 445.541 2.285 30 10 IEEE COc1ccc(-c2cc(CNC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)on2)cc1 1683904194 FTIBVYWLFOVYMN-UHFFFAOYSA-N 435.488 2.296 30 10 IEEE CN(C)CC#CCNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 1685831747 BGCYCVGSYIIOPE-MRXNPFEDSA-N 425.314 2.430 30 10 IEEE C#CCN(C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1687837982 BATZHCHDCKOCHX-MSOLQXFVSA-N 441.594 2.246 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1689848700 AAMNDGPPCRZTLI-ROUUACIJSA-N 430.622 2.439 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689996590 KJVHXMMRCCSWCO-GVDBMIGSSA-N 430.530 2.073 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1690019279 FCSBATCKTFSZBH-OAQYLSRUSA-N 425.577 2.138 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1690077916 ZNKFPAFPBPYUFX-QZTJIDSGSA-N 433.578 2.316 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)C)CC1 1690219364 BXRXQZDINKFEKT-HNNXBMFYSA-N 444.374 2.215 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1690592925 NFOHONCHUPYIEK-HSZRJFAPSA-N 436.516 2.176 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CCOCC2)C1 1690712112 NXWIIMHSGFBDON-FQEVSTJZSA-N 428.533 2.488 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690733514 GTBOEYSZAOJQEA-MRXNPFEDSA-N 433.582 2.486 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1693551943 HUZINROSEQJXQL-HNNXBMFYSA-N 439.520 2.008 30 10 IEEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1697145460 DALVPMPCSPYYIR-QAPCUYQASA-N 434.566 2.067 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCCOC4)C3)n2CC(=O)NCC(F)F)cc1 1698487277 GFVMKTYUDTYNLH-NRFANRHFSA-N 430.459 2.205 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1705500285 KHXQJBRNQQXWAG-LINNUKDLSA-N 432.528 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1705627488 HXORIZLOPPNUCH-QFIPXVFZSA-N 433.622 2.230 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1705631962 FISYGMVDSBHOIK-QZTJIDSGSA-N 430.597 2.155 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705658064 AYKWJLZEEASKEG-OAQYLSRUSA-N 436.585 2.495 30 10 IEEE C=CCn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1[C@]1(OCC)CCOC1 1705894108 YNDFZIRMIOTHBI-NRFANRHFSA-N 428.493 2.351 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705894424 YREPVMAHKTYMOT-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1705919020 VRABJBOPJPVQJX-PKOBYXMFSA-N 448.518 2.477 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CCC2)C1 1705929396 PTBZJMUPRAYYBH-YVGXBJCXSA-N 432.594 2.222 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1706517449 FOAZCLVQGTVECK-VXKWHMMOSA-N 438.576 2.149 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1706751741 SYNDSEYABDHOGN-XFQAVAEZSA-N 444.561 2.346 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1708338789 CJOXKCOIZDFSEK-OHEPNIRZSA-N 429.521 2.488 30 10 IEEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712362732 BCEKVACYICQTGK-UHFFFAOYSA-N 443.527 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCCN1CCC(O)CC1 1722301800 NQRHLMNHMYMWSE-IBGZPJMESA-N 425.577 2.377 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nc(C)ns2)CC1 1722314788 QZOQESSLKPTVNU-UHFFFAOYSA-N 425.566 2.359 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc2c[nH]nc2c1)[C@@H]1CCS(=O)(=O)C1 1722358239 FGRQPAVFBDZXCY-GOSISDBHSA-N 440.573 2.321 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1722378060 LONSLVQTJHOSDW-OAHLLOKOSA-N 447.358 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722396282 XDHQRVKPCAFKAX-UHFFFAOYSA-N 441.539 2.085 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722425253 SECVTKLYALGPPK-SFHVURJKSA-N 445.568 2.314 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722430329 AUHDGOPVOGVNTP-TZIWHRDSSA-N 441.601 2.010 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722456208 UVIAWBIPQUBRQC-QZTJIDSGSA-N 444.605 2.018 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722510197 RWDCWGLMYNWIFW-BDXSIMOUSA-N 438.594 2.165 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722564482 QTYLERNYEMSKOK-NZQKXSOJSA-N 433.597 2.443 30 10 IEEE C=CCCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1722609877 HTWUCMNJZDTGFA-LEWJYISDSA-N 438.594 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722716704 WUHQZXGQEQDTNQ-PKOBYXMFSA-N 431.562 2.008 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)C1 1722718802 NCWCKARIYICLMJ-ZWKOTPCHSA-N 438.594 2.168 30 10 IEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1722802915 BBNNJGABELIJGK-HXUWFJFHSA-N 447.499 2.296 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCCNC(=O)OC(C)(C)C 1722871662 ZWPNCBUVVOEDHU-INIZCTEOSA-N 433.557 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1740531363 KPSUENPGAATSBL-OAHLLOKOSA-N 427.509 2.250 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1740623991 BSUOXRIOFASCEQ-GHTZIAJQSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1740638701 LTJVQRFLDDDDAG-VXKWHMMOSA-N 430.556 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1cccc(Cl)c1 1740644481 HWVDNFLZMWUJRF-QFIPXVFZSA-N 427.936 2.440 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC(N)=O)c1 1740648411 KSYICYITNMEUAC-UHFFFAOYSA-N 448.914 2.369 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC 1740679261 RQTRZKCEEXWEFP-LJQANCHMSA-N 449.552 2.190 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cccs2)CC1 1740698401 UYDYXFIITGQRNP-UHFFFAOYSA-N 440.598 2.177 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1740712875 XBPQNFHVBVKBJY-UHFFFAOYSA-N 427.574 2.169 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1740868760 SCBBQTVROXCSQY-GOEBONIOSA-N 449.581 2.499 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2oncc2C1 1740951228 DFDSXWORXJENPS-CQSZACIVSA-N 426.452 2.410 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1741000928 YHLZRYFYCODBQK-INIZCTEOSA-N 436.607 2.197 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1741136287 MRONOLXXAWMXIQ-BZUAXINKSA-N 430.475 2.379 30 10 IEEE CC(C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1741369262 YNARJNFZDJUWIV-KRWDZBQOSA-N 425.537 2.047 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1coc2ccccc12 1741917688 HYPUBRYTRSQXIH-AWEZNQCLSA-N 428.518 2.423 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1743951343 GUMNPQMETZTCOG-RTBURBONSA-N 443.573 2.374 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C 1746445893 GNXHHWGHSDVMTK-PKOBYXMFSA-N 442.589 2.172 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCCCC1 1747193595 CTPCTESZYILYEY-UHFFFAOYSA-N 425.537 2.103 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCC(=O)N1CCOCC1 1748772042 MJUCCSIHNOLACJ-GOSISDBHSA-N 441.532 2.135 30 10 IEEE COc1cccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1748968031 JSECBWAWGXWHMJ-UTKZUKDTSA-N 428.468 2.149 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCSCC3)cc2)CC1 1749000221 PSFZCZCXVOVKMW-UHFFFAOYSA-N 440.617 2.171 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC)[C@@H](C)CC)CC1 1749010724 VTRJAEJEEYUZEH-SXLOBPIMSA-N 431.581 2.199 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749031868 LJECQFGINHRKIV-UHFFFAOYSA-N 439.589 2.434 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1749044368 QEHULYXAPSGTOZ-UHFFFAOYSA-N 427.574 2.325 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC[C@@H]21 1749656080 ZMVVAOHYIRSKGN-ZBFHGGJFSA-N 427.505 2.262 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1C(C)(C)C 1749682012 MXVDUJBXBJUCMO-UHFFFAOYSA-N 427.509 2.113 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1749690514 SSPAVTPBDPUHLJ-RTBURBONSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)CC1 1749731030 ZGKBNXFNPXITSI-UHFFFAOYSA-N 432.594 2.027 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1749736493 KGWFASZEENHPKG-HXUWFJFHSA-N 445.589 2.118 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)CCCO1 1749965553 DOHTWCXNQYCYHX-NYHFZMIOSA-N 442.520 2.106 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(Cl)c1 1750154584 QZBCYBVUNXMGOU-SNRMKQJTSA-N 447.923 2.463 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1750335097 RNUARZDFCDNXDJ-SFHVURJKSA-N 449.602 2.495 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750445188 RJTBGGVJXWURAW-NRTINQSCSA-N 441.580 2.167 30 10 IEEE C#CCCCn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1[C@@]1(OCC)CCOC1 1760159266 AWHXGGDLOCGNDS-OAQYLSRUSA-N 443.508 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCNC(=O)c1cc[nH]n1 1760214114 CDKQEYKOSUPECP-UHFFFAOYSA-N 438.495 2.109 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1=CCCOC1 1760247901 VAEMGBJWNKJMSD-UHFFFAOYSA-N 448.527 2.108 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1760252112 LVARWSWWMPQNTN-WOJBJXKFSA-N 442.608 2.111 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1760358524 VBSNVEMMEKFCMG-UHFFFAOYSA-N 447.605 2.242 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1760471493 XAUVJXAFOZEEJP-WIYYLYMNSA-N 438.594 2.441 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)C1 1760543549 SYXLUNZTQFXTQI-CABCVRRESA-N 436.438 2.473 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1763018825 QVJWAAXRIXJRSW-CYBMUJFWSA-N 427.509 2.289 30 10 IEEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1)C(F)(F)F 1768066050 GBIQJYQGWLBDHA-KDOFPFPSSA-N 428.459 2.498 30 10 IEEE COCCOCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1770148909 RQHOEKFEADZJNC-NRFANRHFSA-N 427.484 2.012 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1770339529 IUUWKIIWJVWKQM-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE COCc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1770849614 BQMHOKILMXMIGD-NFBKMPQASA-N 441.532 2.242 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2ccccn2)CCC1 1771222831 MVZPZPZJIMDMGV-ROUUACIJSA-N 426.521 2.248 30 10 IEEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1771237302 VZXQLTKYIGLSDT-QFIPXVFZSA-N 441.536 2.015 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC1(O)CCOCC1 1771298079 KKNCWXVCYJKKOT-BBTUJRGHSA-N 433.553 2.064 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1772887000 JCWWVMFGLZZMOH-UHFFFAOYSA-N 434.541 2.330 30 10 IEEE Cc1cc(F)ccc1N1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851512366 VOJMHGNEXIQKOV-NSHDSACASA-N 435.399 2.358 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)cc1 1853553075 WEYPCMVKEUIRFI-GOSISDBHSA-N 449.511 2.296 30 10 IEEE CN(CCC#N)[C@H]1CCCCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1856430823 LLLHUHKTVKEETO-GJZGRUSLSA-N 428.480 2.384 30 10 IEEE CCCCS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)nc1 1858442204 WUDZMPQUTNIKOJ-UHFFFAOYSA-N 427.530 2.457 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2c(C)cccc2C)cc1 1858643326 YFQQISJLMSFXIB-UHFFFAOYSA-N 431.514 2.173 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1C(=O)O 1862629150 PCBVYYHKODWJDR-VOJFVSQTSA-N 425.393 2.073 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862703155 CILBHWFZICIDBA-LJQANCHMSA-N 439.424 2.318 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)cc2OC)c(C)c1 1870098406 CFJSPYMUESNRPY-UHFFFAOYSA-N 429.458 2.274 30 10 IEEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1870150737 IASMEERFUKYHEY-GFCCVEGCSA-N 431.294 2.405 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCCN(C)C 1870538692 JAIDUXOJLNKSKR-UHFFFAOYSA-N 442.560 2.262 30 10 IEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(O)c1 1874434373 BMFIMDGZZVHNRP-WSDLNYQXSA-N 432.550 2.243 30 10 IEEE C=C(Br)CS(=O)(=O)N1CC(C)(C)OC[C@H]1CNC(=O)OC(C)(C)C 2018677718 QCGSAOFMXOFNND-GFCCVEGCSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CO1 2060638339 VUXQQBTXBOSFHM-CAOSSQGBSA-N 436.358 2.467 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CC#N)CCC(F)(F)F 2114159460 MDXMBKKMQWTRLT-INIZCTEOSA-N 435.399 2.119 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2124540430 HIVBMZPXVKDWDK-DDXWWSGPSA-N 448.369 2.421 30 10 IEEE CC(C)(C#CC(=O)O)NS(=O)(=O)c1cc(Br)sc1Br 2138036386 KYAUCEYGJQZQQX-UHFFFAOYSA-N 431.127 2.418 30 10 IEEE C[C@@H](CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1 2232259923 JPRVQCBVDCWPSW-KRWDZBQOSA-N 446.401 2.156 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243417958 UMGDXPAFQLSLDC-DZGCQCFKSA-N 430.376 2.349 30 10 IEEE C=C(CS(=O)(=O)NC1(CC)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435918 YWLXTXLFVPQPTC-UHFFFAOYSA-N 430.376 2.493 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247834146 ROLSHIOPDYMXIT-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248444781 DFGFAZLDEXWSOC-FZMZJTMJSA-N 443.350 2.310 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626899 LRVWSWYDIPKJKE-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2255633509 CDMPDCZLJWBDLD-QGZVFWFLSA-N 438.362 2.292 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255698714 RZRAMGQLCNBFDW-QRQCRPRQSA-N 429.326 2.120 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255836266 WDFMUISZGVBBTH-MNOVXSKESA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255878192 UQGBHPRRHOVWHY-UHFFFAOYSA-N 431.342 2.414 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)Nc3cnn(Cc4ccccc4)c3)c2)OC1(C)C 2255931784 QOVQYLYIBYZVAA-UHFFFAOYSA-N 440.334 2.426 30 10 IEEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256618414 QCKOHOKAXJLMEC-CJNGLKHVSA-N 435.330 2.248 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256676284 WMSKKIQVFKKEQQ-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE COCC[C@H](CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267001963 SCRQNRWAMHLZGT-OAHLLOKOSA-N 449.357 2.040 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2CC)C1 2267127880 UZOGDOMWDCJVEM-UHFFFAOYSA-N 448.373 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2267170879 BSYIFGRUGNYMRY-HNNXBMFYSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267186311 HWYUDRHEAFPJNL-HZPDHXFCSA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]21 2267188342 KWFGMMLRXPUSHI-FOLVSLTJSA-N 447.316 2.115 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501827 DHHFWAAVCIPDCI-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267537775 ROFDSFBEAMCPAW-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267596041 YOTNSOXKWGZFFA-ZWKOTPCHSA-N 446.353 2.350 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268632435 KGMHRJBGULRXCT-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268637216 KURHVZJDGPGCSY-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268644933 NRCIPGQXGLDFMO-LSDHHAIUSA-N 447.341 2.344 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)n1 2315390239 MGQNROMYFMQUBA-QGZVFWFLSA-N 435.374 2.353 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CCO)COCc1ccccc1 2320446727 TWYKBRKQVJEAOA-QGZVFWFLSA-N 446.378 2.448 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)cc1 2328566071 PCOXZJCBUKIYJD-UHFFFAOYSA-N 441.513 2.441 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccnc1 2330792479 NIKBRDKOBVXSPA-OAHLLOKOSA-N 437.529 2.161 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2337200815 NHAIGZGQGVNPPS-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE N#CCc1ccc(OC[C@H](O)CN2CCN(c3ccc(Br)cn3)CC2)cc1 30536518 DLJLNAGZBHNKCJ-GOSISDBHSA-N 431.334 2.472 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)/C=C\c2ccc(Oc3cccnc3)c(F)c2)CC1 210096429 GMQOZWCMKPWAFA-CLFYSBASSA-N 436.487 2.310 30 10 IEEE C=CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(-c2ccccc2)cc1 248261203 WELUVDLQDCNRRN-UGCAPWQASA-N 448.475 2.473 30 10 IEEE COc1ccc(-c2nc3c(s2)[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)CCC3)cc1 410125791 PSFBPEXMSJMAKX-NVXWUHKLSA-N 434.543 2.255 30 10 IEEE CN(C1CCN(c2cnccn2)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 433453352 ZACDPWCIQBXIKC-UHFFFAOYSA-N 436.335 2.400 30 10 IEEE N#C[C@]1(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCc2ccccc2C1 474652555 DNRZYJONQBHKHW-RDGATRHJSA-N 428.492 2.030 30 10 IEEE Cc1cc([C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCO2)ccc1F 486155326 VBVJYVRWHBUNRK-FOIQADDNSA-N 431.489 2.273 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 508845253 AYWJJSNYZZSZON-HRAATJIYSA-N 446.577 2.199 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@H]1CCCO1 514647776 CKWQIAZAIAXKDO-LJQANCHMSA-N 439.581 2.125 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 521741839 GVASPLKMPANUEK-OAHLLOKOSA-N 431.539 2.467 30 10 IEEE C[C@@H]1CN(c2ccccc2NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C[C@@H](C)O1 556326425 HCGHYEVGCUFQRO-ZHALLVOQSA-N 449.511 2.185 30 10 IEEE Cc1nc2ccccn2c(=O)c1CCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 565354430 XLMWENMEEUZLQZ-UHFFFAOYSA-N 430.468 2.487 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1 588225151 VSEUYKXLQKNXPP-KRWDZBQOSA-N 427.873 2.310 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 610810858 RUDXTSXODGPPCG-OALUTQOASA-N 440.569 2.348 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 669806166 MQKSTGBPXAIXFL-UHFFFAOYSA-N 426.521 2.486 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1oc2ccccc2c1CS(C)(=O)=O 734291739 PREWPOVXBKZPTH-UHFFFAOYSA-N 432.479 2.276 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1)c1ccc(C#N)cc1 740250715 PYHBADBJRFCTHO-LIRRHRJNSA-N 431.466 2.434 30 10 IEEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 744897865 DZWYMMQEUNHABW-HNNXBMFYSA-N 444.513 2.149 30 10 IEEE COc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C#N 746709627 CSLLLHDSDHOGJE-UHFFFAOYSA-N 428.514 2.351 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)C1 758490715 CZNXKMDCYRQLFD-JQHSSLGASA-N 427.505 2.240 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1OC 768155912 HVFSWYUOGMLKND-LBPRGKRZSA-N 429.376 2.387 30 10 IEEE CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C1 774239727 GFOTWPOGRPRNCZ-UHFFFAOYSA-N 443.481 2.405 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(O)(CN3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 790847476 VURUOIUGVNSNLI-QHCPKHFHSA-N 437.581 2.018 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 792659397 PYVONUUAXXWNTO-RTBURBONSA-N 426.517 2.422 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2nc3ccc(Br)cc3[nH]2)c1 795324648 SAOABMHYRSOOIP-UHFFFAOYSA-N 449.286 2.219 30 10 IEEE Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 799833941 DEKHVCYXOJUFMW-QURGRASLSA-N 448.479 2.155 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 804766476 IMRAKIFLQZOZBA-LJQANCHMSA-N 426.542 2.314 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 809896919 UDNKIQXCBCAHOQ-HZPDHXFCSA-N 435.525 2.162 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3O)n2)cc1 1084103751 RUEJUCMBRRNIME-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCc1nc2ccc([N+](=O)[O-])cc2[nH]1 1084192832 WXTSJDOMHKFHEA-UHFFFAOYSA-N 425.434 2.220 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CCCS2(=O)=O)cc1 1125307743 RAMKIVOXFPQSOU-JUJXNAJKSA-N 441.575 2.185 30 10 IEEE COc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1S(=O)(=O)N(C)C 1132134915 ZXTKXLAAMQOCGS-UHFFFAOYSA-N 443.525 2.253 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1132729896 YFRPAUAKSZUIEC-UHFFFAOYSA-N 431.489 2.033 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(-c4ccc(Br)cc4)no3)C[C@H]1CS(=O)(=O)C2 1134056597 SDLRCCQXSRRPRK-SJCJKPOMSA-N 436.287 2.114 30 10 IEEE N#Cc1ccc(F)c(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 1206054772 DDYQHZKPJYLHRD-MRXNPFEDSA-N 425.468 2.114 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C3CCCCCC3)cs2)CC1 1208322590 CPFHQBSCBSZLOG-UHFFFAOYSA-N 425.580 2.198 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286395700 TWCLQPWUVZZBAY-FQEVSTJZSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C)COC1 1286426356 SQKRHCGJFVWZEH-UHFFFAOYSA-N 430.512 2.174 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286704849 HMSGRGQVKNDSKC-HLAWJBBLSA-N 430.597 2.475 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1288519973 QVDOGBUNLRYICQ-CQSZACIVSA-N 427.509 2.051 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1288974416 DYTARZSWLHENIC-QRWLVFNGSA-N 444.517 2.418 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1 1300547930 DVFAPDPWPDYSTL-UHFFFAOYSA-N 449.555 2.086 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300642771 DOODQNUHCYLCKJ-KRWDZBQOSA-N 426.546 2.327 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CO2)C1 1300656568 JRYUOVXUXOZITJ-SJORKVTESA-N 444.507 2.418 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCCC2)CC1 1300689218 SWVTUZIYWQYWPC-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2Cl)CC1 1300719811 QSDIFTDDBKLQAZ-UHFFFAOYSA-N 435.919 2.403 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1300776525 LQVJEBNERALCSM-UHFFFAOYSA-N 445.520 2.441 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1300907371 HIADXFULLAHAEQ-UHFFFAOYSA-N 427.505 2.325 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C[C@@H](C)O1 1301359358 GOPDSULKDVVDNS-CXAGYDPISA-N 425.518 2.265 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1cnc(C(C)C)nc1 1301578380 YYHLFHPXLUACSS-UHFFFAOYSA-N 441.561 2.491 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C[C@@H]1C 1301889828 DOUYZOLDSVLEEP-IBGZPJMESA-N 434.548 2.260 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCO2)C1 1302290892 WWVPTWXOUAZPIU-XWTMOSNGSA-N 446.552 2.347 30 10 IEEE CC(C)COCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1303239924 MMMIIKLROKUZEE-MRXNPFEDSA-N 432.550 2.061 30 10 IEEE C#CCN1CCC(NC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CC1 1311332773 CMIHPEJTFKRDQT-INIZCTEOSA-N 428.537 2.420 30 10 IEEE CCOc1ccc([C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc2)cc1 1311476509 GQDODVRLNBGJBG-HXUWFJFHSA-N 433.468 2.308 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)C2 1313191337 SSGJYKJKIVHGHM-GOSISDBHSA-N 446.479 2.020 30 10 IEEE CNC(=O)c1cccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)c1 1314982788 WMRWOENDMCDQST-GAJHUEQPSA-N 440.548 2.322 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC[C@@H]2CCCO2)cc1 1316531976 YDNLEWSNYJKACX-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1c[nH]nc1C 1358885985 VKWJPSOJIJDLHM-OAHLLOKOSA-N 440.577 2.360 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCn2ccnc2C)c1 1358904237 ZVJLBNADZMXFDE-HXUWFJFHSA-N 433.516 2.391 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1358960878 NIZVAUBPGFGFFK-GOSISDBHSA-N 431.562 2.030 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358964777 HGQQHYKKDONXGE-OAHLLOKOSA-N 442.463 2.067 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1358986185 PICCKVBUPAXGET-ZTCOLXNVSA-N 442.560 2.121 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1359001855 FYEDVLOMUFJZRT-YDHSSHFGSA-N 433.597 2.278 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1359009284 LYSZUJSETBCHDK-RBUKOAKNSA-N 445.589 2.460 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359049124 ILEXYTBXOZWWFR-QWFCFKBJSA-N 432.638 2.147 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(CCOC)no1 1359106055 XEZZKYDXNLBBHL-GPMSIDNRSA-N 432.525 2.319 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1359345345 CULHBOBONIHCRU-IBGZPJMESA-N 440.573 2.169 30 10 IEEE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1359394032 KMYSFLTXEWKDAW-ZDUSSCGKSA-N 425.518 2.204 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1360150052 ODXFZLRVDRZYCR-XDOYNYLZSA-N 435.532 2.002 30 10 IEEE N#Cc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1437623159 WRQISFIKHNXMOB-GOSISDBHSA-N 442.497 2.226 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)OCC 1438405811 YGOBALBIPYOIJI-RDJZCZTQSA-N 428.938 2.278 30 10 IEEE CN(CC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C1=NS(=O)(=O)c2ccccc21 1438755240 LNACZTYGIDUDCG-KRWDZBQOSA-N 436.415 2.359 30 10 IEEE COc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nc1Br 1458002042 KHHWZEYXKXMJLS-UHFFFAOYSA-N 434.246 2.370 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1 1464160473 ANWUJMJNAANJKI-UHFFFAOYSA-N 429.429 2.419 30 10 IEEE C=CCCC[C@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)c1ccccc1 1468027828 BTFTUGJXZDRSSV-SFHVURJKSA-N 427.592 2.243 30 10 IEEE Cc1ccc(-c2nc(C)c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)s2)c(F)c1 1472370373 GMHPBEWVGQYJJK-UHFFFAOYSA-N 425.445 2.397 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1479087455 XTJILTCPXAYFRH-UHFFFAOYSA-N 449.527 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1507526202 LKCPMQBRTYFHIQ-DOTOQJQBSA-N 430.530 2.142 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SCC)C1 1507746208 MWHGXWSNDAYBKS-HZPDHXFCSA-N 445.680 2.367 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1507750513 XHIQROJNIARCJW-UHFFFAOYSA-N 443.577 2.406 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507843843 WANRGKQFOATPRE-JOCHJYFZSA-N 430.553 2.343 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1508006213 MKVOMWADJSVNEW-UHFFFAOYSA-N 449.602 2.345 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1508018564 GETCTTKLQJVTQN-LJQANCHMSA-N 431.562 2.146 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1508086311 YRVWVTKTDFZISJ-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1509952179 ILJVUJQCBZIUAI-AWEZNQCLSA-N 428.456 2.443 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1509963434 GOCODBCZFFQTCS-ZBFHGGJFSA-N 449.481 2.401 30 10 IEEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)n1 1511917202 FRZUTNAVHKARIY-DLBZAZTESA-N 449.563 2.342 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513165596 HTYPVEWAFFQHOS-HNAYVOBHSA-N 425.537 2.395 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cn1 1515921692 QZNUDUSXCSAFLH-UHFFFAOYSA-N 442.317 2.041 30 10 IEEE CCNC(=O)C1(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1515980416 VZBUIJHEOFUBLB-FQEVSTJZSA-N 431.541 2.382 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C#N)CC2)C1=O 1517403002 WQEGYGIWIAZKMR-SFHVURJKSA-N 432.326 2.254 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)CC1 1518657578 AAMPTPLDOUYXDZ-UHFFFAOYSA-N 428.562 2.301 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)C1=O 1519602405 DAVBOTAPWSATTH-SELNLUPBSA-N 429.517 2.048 30 10 IEEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1529441366 QLFVNWYHMMTQIS-DOTOQJQBSA-N 435.546 2.461 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2c(Br)cnn2c1 1535349752 NAGCSKBZPREXMB-LBPRGKRZSA-N 426.278 2.109 30 10 IEEE CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537006399 TWMRVNKQFPDTTI-VBKZILBWSA-N 446.529 2.323 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cnc(C)s2)CC1 1539484610 WOWGMCRQQMUFEQ-UHFFFAOYSA-N 435.557 2.043 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539918001 IWJBMHWFJZPDJE-GOSISDBHSA-N 434.548 2.425 30 10 IEEE C=CCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540021907 WHJTYWLLDWKNHT-SIKLNZKXSA-N 430.553 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@]1(OCC)CCOC1 1540909062 WKNOJRVGICDPDN-BEFAXECRSA-N 448.536 2.013 30 10 IEEE Cc1cc(C)cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1542154507 CARVSGKUVNWYFP-UZLBHIALSA-N 434.541 2.190 30 10 IEEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)n1 1542646955 GYKZIBDGZNTVGI-LJQANCHMSA-N 445.527 2.377 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C(=O)OC(C)(C)C 1543928280 KPEAHTFKUSYYBJ-UHFFFAOYSA-N 449.573 2.348 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1555904214 JKLBMWQRAIJOFN-YOEHRIQHSA-N 441.561 2.383 30 10 IEEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cccc1N1C(=O)N[C@@H](C)C1=O 1556871322 DKCCNKZPOIVVGE-LBPRGKRZSA-N 444.444 2.128 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1 1556981690 NUWDJNBRSCWUQO-NRFANRHFSA-N 449.479 2.087 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1564772512 HVVXFLUZHLGMKH-MOPGFXCFSA-N 442.520 2.435 30 10 IEEE COCCCNC(=O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1565790055 FITFMCQLUHSISO-UHFFFAOYSA-N 435.565 2.028 30 10 IEEE Cn1nc(I)cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1587496067 DFUVKFOORPUTOW-OAHLLOKOSA-N 435.269 2.047 30 10 IEEE C#CCCCn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587893247 ABVUMGLMKFUZRY-HSZRJFAPSA-N 433.597 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)C(C)(C)C 1588124388 KJOQATDTIBPPTG-GOSISDBHSA-N 442.589 2.372 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)OC 1588140402 WLWMNDLCEYYEAG-ROUUACIJSA-N 431.537 2.084 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1588276749 XQNOJNDVJUUFPV-UHFFFAOYSA-N 432.322 2.026 30 10 IEEE C=C(C)Cn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OCC)CCOC1 1593683675 NXUCPOARMGYSID-JTSKRJEESA-N 445.568 2.335 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC=CCO1 1595142186 OHSGASWMLLCTJX-JKSUJKDBSA-N 437.591 2.488 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F 1595303316 QKTCORJTAYYQKZ-HNNXBMFYSA-N 426.489 2.146 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595569126 AEQMMLAPAGCMDR-HXUWFJFHSA-N 433.560 2.483 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC1CCCCC1 1611677005 HICLRQVVPXISQF-MRXNPFEDSA-N 438.598 2.368 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1618181125 JTIFELYMPWLMQO-UHFFFAOYSA-N 446.559 2.398 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)N=[S@@](C)(=O)N(C)C 1621740401 IYDAONCTHPHYAH-JOCHJYFZSA-N 428.349 2.395 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)cc1 1624399024 KRJSTOSMBOPHNX-RNJTYBCJSA-N 434.414 2.300 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1628192358 UWOVSVGVKWHSTF-ZDUSSCGKSA-N 425.482 2.252 30 10 IEEE C#CC[C@@H](NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)NC)cc1)C(=O)OC 1629616913 AYFXFPVYJWQFNS-QGZVFWFLSA-N 432.523 2.041 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 1637374574 HPKNVTPJKWRDAE-HNNXBMFYSA-N 435.546 2.490 30 10 IEEE CN(Cc1ncnn1CC(F)F)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639953561 DCUOJVWPDIDEHM-UHFFFAOYSA-N 439.264 2.272 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)CC2)cc1OC 1642537243 SKFQEKSQVBGTMA-AEFFLSMTSA-N 435.546 2.255 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 1643005325 PRKDWKIVTDVNOT-UHFFFAOYSA-N 448.476 2.320 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccc(CC#N)cc3)CS(=O)(=O)[C@H]2C1 1643632151 MRZLAMAMJSUKCV-QRVBRYPASA-N 447.557 2.039 30 10 IEEE COC(=O)c1ccccc1NC(=O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1643732033 FMHJEYFXCSEPLM-UHFFFAOYSA-N 444.495 2.496 30 10 IEEE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1644174702 FKGGOOLRHGHXLU-IRXDYDNUSA-N 428.489 2.342 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1649582740 IUJQKLWLKNZTHC-ZWKOTPCHSA-N 441.488 2.394 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2S(=O)(=O)c2cc(Br)ccc2C#N)O1 1669190228 ANFYMLDJWMBYNT-QZKOUSHUSA-N 443.319 2.193 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCOCC1 1674436734 NLQCIKWTYDHDNU-UHFFFAOYSA-N 430.505 2.405 30 10 IEEE C#C[C@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)C1CCOCC1 1680674780 DPFNPKWBNWDWMX-QFIPXVFZSA-N 447.601 2.476 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCC#C[C@@H]2CCCCO2)CC1 1682725759 PRZIJJWVBMPGFT-RXVVDRJESA-N 447.601 2.487 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1684175546 OKFLXEFKVHTWAG-JOCHJYFZSA-N 435.528 2.135 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1689826179 JINFXJONCWVNFW-INIZCTEOSA-N 427.472 2.012 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1689947952 OZQOUYBFLBPYND-SMSORMJASA-N 430.574 2.315 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(C)CC2)CC1 1690137711 HFIQRKZENJRSCI-XMMPIXPASA-N 443.592 2.475 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690237757 AHVMGVLDLWZBOL-GCJKJVERSA-N 443.523 2.434 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690327066 IWPUKDBOUDZEIR-IAGOWNOFSA-N 445.955 2.225 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690352429 CYHQELLKUFMZGE-UHFFFAOYSA-N 439.969 2.390 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cn[nH]c2)C1 1690711758 HXIOBYNLEFNGCU-INIZCTEOSA-N 427.534 2.017 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCOC2)C1 1690712065 MVCZZOKBJMHQAK-XXBNENTESA-N 428.533 2.407 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1690746895 MOIMCXGGEALFDX-UTKZUKDTSA-N 429.546 2.412 30 10 IEEE Cc1ccc(-c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCNS(C)(=O)=O)o1 1693071434 RVPRZUDUCALMQL-MSOLQXFVSA-N 440.529 2.139 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1698484565 SINMJWSDYKJUHA-DRSNIGMVSA-N 444.486 2.097 30 10 IEEE N#C[C@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCSCCCO)CCO1 1698492364 FJNJQXPMHVKLSK-SFHVURJKSA-N 426.546 2.125 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705476773 FCGORGPZDJFRSL-ULQDDVLXSA-N 449.552 2.297 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1705734202 HDJLOAWAQNCHBI-UHFFFAOYSA-N 425.537 2.317 30 10 IEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705893172 PHBDCNVJUQUZDI-OAQYLSRUSA-N 432.546 2.457 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC)C1 1705925054 JYNLYHINLCCZTE-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](COCC)C1 1705936510 SATZYJGJWGSCII-MSOLQXFVSA-N 426.583 2.373 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)cc(OC)c1 1705938545 BOXNDTLHUXUORS-UHFFFAOYSA-N 432.506 2.040 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCn2cc(C)nc21 1708758017 VADWGQPDNKXRKE-WMZOPIPTSA-N 440.552 2.008 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1710839243 SNOKIXUUTWQSKQ-UHFFFAOYSA-N 438.561 2.184 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1710873029 DJNQRYBHNRFZMN-IBGZPJMESA-N 439.545 2.326 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 1712887171 WIXWIYOLQFAENF-LJQANCHMSA-N 444.561 2.238 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722329712 MWVAVIGPNRBMPI-UHFFFAOYSA-N 426.546 2.090 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722351160 ITFMBNGHKXDLBT-HXUWFJFHSA-N 426.540 2.020 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 1722364711 MKCJLGQTCHIKHH-GOEBONIOSA-N 444.586 2.471 30 10 IEEE C=CCCCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1722622940 PILKNLLHNHTPNG-UHFFFAOYSA-N 435.598 2.095 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)C1 1722709039 IOYIIGXXJNCXGI-PMACEKPBSA-N 430.597 2.416 30 10 IEEE CC(C)CSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1723507654 PIDIUQDCWFHYRR-SFHVURJKSA-N 425.562 2.420 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1723780187 OCIGLIBDBDHBIY-AEFFLSMTSA-N 433.507 2.358 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1727013822 HBHOAAWUCBRFNW-QGZVFWFLSA-N 430.578 2.030 30 10 IEEE CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1729316787 AYORLVZMVQDQLD-QFBILLFUSA-N 440.939 2.364 30 10 IEEE CN(CCOc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1729552538 DGWKEWMSPBQEER-MRXNPFEDSA-N 441.513 2.208 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCNC(=O)OC(C)(C)C)cn1 1729569094 JVLPVXILBNYUBX-HXUWFJFHSA-N 432.504 2.425 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1740625673 HJUGAWJFKZRAEI-GOSISDBHSA-N 434.537 2.299 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(-c2ccccc2)c1 1740633191 YUOAGIMOCBBIAL-DEOSSOPVSA-N 430.512 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCN(CC)CC1 1740650751 LWXLSSFYCRRGQO-UHFFFAOYSA-N 434.588 2.444 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1740766279 FJRKVNWKGRNBRU-OAHLLOKOSA-N 431.628 2.203 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCCN(C(C)C)CC1 1740994042 HOAHNFUEKFKWAF-UHFFFAOYSA-N 437.635 2.452 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1741033673 DPXYAAXLJWVTBI-UHFFFAOYSA-N 432.532 2.242 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCOCC1 1744050120 AGEAWHCJOCNZFT-OAQYLSRUSA-N 436.532 2.224 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748812577 XBOVDBGYFHVJGB-KURKYZTESA-N 431.562 2.105 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl 1748888617 ZXDJLQDAPKDGOU-AVRDEDQJSA-N 425.920 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)(F)F 1748894860 ICOWGNJWRWJYMK-UHFFFAOYSA-N 439.388 2.289 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(CC)(CC)C1 1749023452 SDZLLYDWLHWRMY-HNNXBMFYSA-N 445.680 2.367 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1749114903 JNAXMYOAQIJUSB-HBFSDRIKSA-N 440.548 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749122421 VUEROHITPOFZID-UFYCRDLUSA-N 441.557 2.421 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1749127651 NNTBVUMCYFAMMU-MJGOQNOKSA-N 425.537 2.091 30 10 IEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749210143 CSPOPQINRGUTNO-ROUUACIJSA-N 425.599 2.389 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1749493400 DKEVZFHRQQACEQ-QRWLVFNGSA-N 439.582 2.077 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1749650025 HFWHJEBEJWQWGB-SFHVURJKSA-N 426.521 2.069 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749676419 PTJBXPMDAZRBNQ-FQEVSTJZSA-N 434.548 2.221 30 10 IEEE COCCOC1(Cn2c(-c3ccccc3C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1750027708 FXBBYZVJAGVVIL-LJQANCHMSA-N 441.532 2.195 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cn(C)nc1-c1ccccc1 1760196895 SXHJZHYUVXEFEI-VWLOTQADSA-N 444.539 2.452 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1oc(CC)nc1C 1760197508 ZAISRPPAIWLOEC-UHFFFAOYSA-N 437.525 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOCC2CC2)CC1 1760269982 QZUJKYHVIFQXMQ-FQEVSTJZSA-N 429.565 2.302 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCc2cccs2)CC1 1760272442 KEAMQIHCROAFQI-UHFFFAOYSA-N 446.646 2.209 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC)CC1 1760275609 BXSKQZFLSFTIHP-UHFFFAOYSA-N 430.490 2.108 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760319853 QBYCJOLEUKDOKJ-AOIWGVFYSA-N 431.562 2.335 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN(C)C 1760457440 RZMVVVGVSYTCSD-UHFFFAOYSA-N 434.610 2.405 30 10 IEEE CC(C)(C)OCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760801112 DSFDXIMMRFILJN-GOSISDBHSA-N 425.537 2.190 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)O1 1762426304 LPVYALURDIMZGW-VWKPWSFCSA-N 425.493 2.002 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1769148534 KOFLKFXBBZCXIX-AWEZNQCLSA-N 426.452 2.327 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1770202364 PQCFTKCSPGJHBW-PNLZDCPESA-N 448.543 2.093 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)c1 1770745930 GHKPZPOUJLFSDU-OFNKIYASSA-N 437.523 2.496 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1771237693 PQOOXHSSWWZFEL-HXUWFJFHSA-N 445.483 2.014 30 10 IEEE N#CC1(c2ccccc2)CCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)CC1 1848602223 FYZLPPZEZGHZKI-SFHVURJKSA-N 438.553 2.429 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)c1cc2n(n1)CCC[C@@H]2N1CCOCC1 1851342088 UGKVXSABJYCILS-HNNXBMFYSA-N 431.294 2.332 30 10 IEEE N#Cc1ccc2[nH][nH]c(=NC(=O)c3cc(Br)cnc3N3CCOCC3)c2c1 1852139708 UDGVDSQUQHHKMN-UHFFFAOYSA-N 427.262 2.103 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)OCCCN3CCCS3(=O)=O)cc2)c1C(F)(F)F 1853085639 DEVGCJUJAYBDTH-UHFFFAOYSA-N 442.419 2.345 30 10 IEEE Cc1cccc(CCCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857020977 YPYGIILOQXMQAG-FQEVSTJZSA-N 431.558 2.258 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759401 QVVAYBXOMYNHKH-BMLIUANNSA-N 443.368 2.168 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccc(F)cc1 1870354899 DRIZZYSNVIVSFY-UHFFFAOYSA-N 443.519 2.087 30 10 IEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871025706 YBNDWFOIKFCXOW-UHFFFAOYSA-N 426.502 2.448 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cccc(OC)c1O 1874289601 MOLPOHLSNLNFEX-LSHDLFTRSA-N 443.485 2.040 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccccc3C)ncnc21 1875229719 CLFBBIWWWHTFED-UHFFFAOYSA-N 434.544 2.288 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCN2CCC(C#N)CC2)[C@H]1c1ccc(C#N)cc1 1889775667 ZLHRFRYVPNGFSM-FGZHOGPDSA-N 439.585 2.304 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccc4ccccc4c3)CC2)CC1 1890157288 BFNOXBXIHYRZIO-UHFFFAOYSA-N 435.568 2.477 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H]2CSc3nccc(=O)n3C2)c1 1890766958 KWPMYROUVQJABT-QGZVFWFLSA-N 426.542 2.010 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1963875220 CGEJWQCSJLCXON-GJZGRUSLSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1999432212 ZGPVYUYSRQWNMZ-MSOLQXFVSA-N 438.569 2.439 30 10 IEEE C#CCN(CC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2009846517 HJICOKUYKAFVSE-UHFFFAOYSA-N 429.517 2.092 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2010230911 FUSDNBYCYJISFQ-MRXNPFEDSA-N 439.553 2.171 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060637218 INZFBCWGZVFRCA-YVSFHVDLSA-N 437.390 2.382 30 10 IEEE N#C[C@]1(NS(=O)(=O)c2c(N)cc(Br)cc2Br)CCSC1 2191766114 RWWHKJFWDBWXCB-LLVKDONJSA-N 441.170 2.471 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247922869 OPJSMSQLRPRUFO-OLZOCXBDSA-N 435.355 2.276 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631368 XPLFBBGXDYXERV-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2255808636 MJOYQNLOMVEEOA-UHFFFAOYSA-N 429.326 2.074 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255820167 LTZDVPDPKUPLQM-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)OC2(CCC2)C1 2255858178 OIRBSGZBPMIAAM-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2255866256 PEDNUGWQSYLLBE-SJORKVTESA-N 437.390 2.480 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2256635589 KCCZVNIAEPEPCG-CQSZACIVSA-N 436.362 2.380 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267188953 TVGBTWYOFLLNDC-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267265999 MRRDAYVQLVYEHP-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE Cn1ncc(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513362 NPRHJBKDHWTKMP-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519454 HLEKQYOEWMQDBX-CABCVRRESA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267530815 GRADFNRAOSTCHE-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267542815 XOFWGILJSZIVDA-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267564792 VSYYSJBSNJYBSS-HOTGVXAUSA-N 449.357 2.116 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881477 HLIVYZXSPJWHGF-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268705374 HVCBOHCUSVPSAO-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268709668 LROBORDFFHSBPX-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268715997 BUEHUYNIGYKIRH-GOEBONIOSA-N 447.341 2.249 30 10 IEEE CN(CC(C)(C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2273276040 GIVPCVJXVWZTDA-UHFFFAOYSA-N 448.373 2.493 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300340679 CEPBGDXKYPDOSR-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2327387473 XNMDCUCSNWMABE-UHFFFAOYSA-N 432.286 2.001 30 10 IEEE COCc1nnc(SCC(=O)OC)n1N=Cc1cc(Br)cc(OC)c1O 2331591027 GXHRCASZNLVRGR-UHFFFAOYSA-N 445.295 2.049 30 10 IEEE CC1(C)OB(c2ccc(Cn3cc(Br)c(O)nc3=O)c(F)c2)OC1(C)C 2368987572 XMRMARRKOYAWJE-UHFFFAOYSA-N 425.063 2.198 30 10 IEEE COc1cc(OC)cc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)c1 170178714 XTXWTBVLCQQSKW-UHFFFAOYSA-N 448.527 2.049 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)C1 238951293 WZCSZXNRBRCZJZ-KRWDZBQOSA-N 440.891 2.314 30 10 IEEE CCOc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C(/C)Cl)cc1 254480074 RHMFVQDGCBRQCY-XHEWTLSVSA-N 430.896 2.421 30 10 IEEE CC(C)N[C@H](C#N)CCn1cnc(I)c1I 304450910 VSBYEJBQZQVXAL-QMMMGPOBSA-N 444.058 2.373 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 428414876 WVWZFXFQYMDZJI-MRXNPFEDSA-N 427.404 2.425 30 10 IEEE Cc1cc(NC(=O)[C@H](C)SCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)no1 438616885 DGIXVCAZLYVDBL-OOHWJJMZSA-N 443.529 2.816 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)ccc1F 443322937 AJCNINOHUICHHK-UHFFFAOYSA-N 438.525 2.287 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460376361 SVJWWXVTYGLBAX-XMSQKQJNSA-N 430.574 2.287 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(S(=O)(=O)CC3(C#N)CCC3)C2)cc1 477520606 OULIHDCWPJNRIW-QGZVFWFLSA-N 425.576 2.009 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@H]2COc3ccccc3O2)c(C#N)cn1CCOC 479832650 VWJZSMVURFMOIX-HNNXBMFYSA-N 428.445 2.144 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 482777537 DSZFUQNEIYUXCI-NQIIRXRSSA-N 430.545 2.265 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1 483560280 IWRRATSCSUZGQI-AWEZNQCLSA-N 447.492 2.065 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 504451089 OUEYJTFPXGQLJK-KKSFZXQISA-N 444.495 2.151 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)s1 532417438 BZNOEQXYHMAAEU-CYBMUJFWSA-N 432.567 2.277 30 10 IEEE CC(=O)c1ccc(C#N)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 541591693 UNWZAIXWQHYFPF-UHFFFAOYSA-N 427.482 2.043 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCOC1 550092609 CKGXPCVXTHUENS-GOEBONIOSA-N 431.566 2.179 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCc1ccc2ccccc2n1 557240508 RGVTYXRRPGPDJA-UHFFFAOYSA-N 429.524 2.356 30 10 IEEE CCO[C@H](C)c1noc(CN2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)n1 563276136 ZCWJWCKUCMTFKF-OAHLLOKOSA-N 428.493 2.075 30 10 IEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](O)(C(F)(F)F)C1 565375651 PYLOMYSFGKCCCZ-IBGZPJMESA-N 434.422 2.272 30 10 IEEE COc1cc(CNC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)ccc1C#N 568339745 FFJJBIMHYPDSME-SFHVURJKSA-N 446.504 2.358 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1CC 573295488 ZLOAQMYJNXHTQW-UHFFFAOYSA-N 448.470 2.240 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2sccc2Cl)c(=O)n1Cc1ccccc1 578306685 NQLJIPATERRSNI-UHFFFAOYSA-N 441.965 2.455 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 580349525 ICHCUNCARZMBOC-UHFFFAOYSA-N 437.525 2.200 30 10 IEEE C[C@H]1CN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)C[C@@H](C)O1 585673933 ZMBMHWWDEXGUJZ-MAJYOPCHSA-N 448.479 2.271 30 10 IEEE O=C(NCC#CCNC(=O)c1cccc2ccc(O)nc12)c1cccc2ccc(O)nc12 685463029 CWVOAEITHCMYER-UHFFFAOYSA-N 426.432 2.357 30 10 IEEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 733618037 RKUJVHWOHBMOQS-UHFFFAOYSA-N 434.562 2.233 30 10 IEEE C[C@]1(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CCCN(C(=O)c2ccccc2)C1 744007311 FPIYYXPOPWKCOS-QFIPXVFZSA-N 425.510 2.447 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CCCS2 746037360 JRZLKSAIETZGMJ-ZDUSSCGKSA-N 448.570 2.100 30 10 IEEE O=C(O)C[C@@H]1COCCN1C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757474250 IBEBTOJLCDPKSQ-QGZVFWFLSA-N 448.475 2.231 30 10 IEEE CNC(=O)c1cccc(OCC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 758834982 DYUSUFIPUVOWFF-LBPRGKRZSA-N 427.482 2.417 30 10 IEEE Cc1ccn(-c2ccccc2CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 768310111 LHMKIKBJKWPKFT-MRXNPFEDSA-N 437.525 2.314 30 10 IEEE COc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2F)c(NS(=O)(=O)C(F)F)c1 769666853 JZCIPAPKPUKWLT-UHFFFAOYSA-N 436.389 2.438 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 783136264 JVDNUZBNJNZWJV-KRWDZBQOSA-N 425.445 2.114 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 783308019 FEIJXGRDZUCTIQ-IRXDYDNUSA-N 429.583 2.408 30 10 IEEE C#CCn1ccc(CN(CCOC)CCS(=O)(=O)c2ccc(Br)cc2)n1 789324325 IZSLELLISQRPDZ-UHFFFAOYSA-N 440.363 2.201 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1CCC(C#N)CC1 799736187 XXHYCQWVDRJAME-FAFZWHIHSA-N 435.546 2.162 30 10 IEEE C#CCCn1c(-c2ccc(S(C)(=O)=O)nc2)csc1=Nc1ccc(C(N)=O)cc1 803194600 REDGXORVDJITMX-UHFFFAOYSA-N 426.523 2.370 30 10 IEEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 804022676 BAFPBFJUKMWDQM-WMLDXEAASA-N 432.496 2.465 30 10 IEEE C#CCC(CC#C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 807092609 DIHXTPXPVJKQMY-UHFFFAOYSA-N 443.388 2.396 30 10 IEEE C#CCN(c1nnc(Cc2ccc3ccccc3c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812154399 RQARZWWEIXTAJO-OAQYLSRUSA-N 438.553 2.295 30 10 IEEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 920113988 WIEQYAHVZWYAKQ-IFXJQAMLSA-N 427.407 2.352 30 10 IEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCCC(=O)Nc2ccccn2)n1N 1083892702 UWSULHJKTJTREA-UHFFFAOYSA-N 442.553 2.348 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2CC=C)C1 1116935453 BPVDZGXEKZMXEL-SFHVURJKSA-N 431.562 2.375 30 10 IEEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c2cnn(C)c2n1 1125203040 RODMUAFQDGUFSR-MOHJPFBDSA-N 426.502 2.342 30 10 IEEE C#CCN1CCCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 1136863084 OGBGXTLTITZACA-OAHLLOKOSA-N 427.364 2.026 30 10 IEEE C[C@H](C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1137430645 YAOPSJMRKVXVLT-KBXCAEBGSA-N 427.505 2.428 30 10 IEEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1137976583 HFFPWBUUFXYZJU-UHFFFAOYSA-N 427.482 2.152 30 10 IEEE O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)N1CCN(CC(F)(F)C(F)F)CC1 1146887896 MZUAQPCVFSYLEQ-UHFFFAOYSA-N 432.340 2.019 30 10 IEEE CCc1nn(C)c(OC)c1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1152664514 SIARXZPWMSWSIV-HEOKHYPTSA-N 431.537 2.394 30 10 IEEE N#CCCn1cc(C(=O)N2CCC[C@H](N3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1158516800 HVZXUYZXSJVVSQ-IBGZPJMESA-N 438.488 2.309 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3C[C@H](N4CCOCC4)C3(C)C)C2)C1 1164314470 SYRAOTFIBVGXFG-QQHZZGFGSA-N 446.592 2.389 30 10 IEEE COc1ccc(C(=O)NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1171805164 PERGHVGEOPWDLW-UHFFFAOYSA-N 444.495 2.036 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=C)Br)CC1 1286491621 ZHFVYMYBOMZSNQ-UHFFFAOYSA-N 443.349 2.138 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286503212 BRLSDQXLTLAUFB-UHFFFAOYSA-N 429.594 2.128 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1286512265 UHIJYUPWUSQDCT-IAGOWNOFSA-N 445.614 2.499 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1OC 1286569446 PYJQGWKCVJYSRA-UYAOXDASSA-N 438.536 2.375 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286688463 XJFUXNQKGGQRSX-MAUKXSAKSA-N 446.577 2.430 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)COCCO1 1286742026 GLXDINSZKYKYMR-QHCPKHFHSA-N 438.532 2.286 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1290542065 AMYIHNVLFDSMAE-UHFFFAOYSA-N 430.520 2.485 30 10 IEEE CS(=O)(=O)c1cccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1 1297921952 QZBOPJVQYJWXPX-UHFFFAOYSA-N 448.342 2.477 30 10 IEEE CN(C)C(=O)NC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1298234279 NNJZKVIFKKHKOD-UHFFFAOYSA-N 434.338 2.019 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300349230 RQPCXCSNPVHKSR-UHFFFAOYSA-N 448.487 2.244 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CCC1 1300439651 FZTJXYRFKJRITR-PMERELPUSA-N 432.546 2.342 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1300481874 CDHJJRQWPIUVDZ-DLBZAZTESA-N 446.621 2.325 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488673 GBBITUMOHZAGOP-YSIASYRMSA-N 428.558 2.244 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN(C)C(=O)OC(C)(C)C 1300675143 LZCLCGPRUWDDDH-UHFFFAOYSA-N 445.568 2.093 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1300676018 YKABMOCRRSQMRR-IBGZPJMESA-N 446.573 2.076 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(C)cc2)CC1 1300681517 SGBMLSZMXMZDPJ-UHFFFAOYSA-N 436.560 2.047 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(CO)c2)CC1 1300718226 GQQXBLCFTNSYSV-UHFFFAOYSA-N 433.512 2.353 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1301524952 FEOUABWWSPUQOV-SJLPKXTDSA-N 429.546 2.389 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCCn2cc(CO)nn2)C1 1301553413 LUQDZJKAWYBPEQ-KRWDZBQOSA-N 427.484 2.040 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1301802491 HBABEOZRDIZENX-UHFFFAOYSA-N 447.547 2.370 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(Cl)ccc1OC 1302098800 QQGCGHKIWGCHCS-RHSMWYFYSA-N 435.912 2.441 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CCO2)cc1 1304193398 HSERCCWMFQSHNR-GOSISDBHSA-N 433.917 2.480 30 10 IEEE Cc1cccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1304205475 POKAYOPBSSTZSW-LSDHQDQOSA-N 446.515 2.150 30 10 IEEE CC/C=C\Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1306483906 JDJKVEXZBSBHGW-NEAHNDPRSA-N 435.576 2.338 30 10 IEEE N#Cc1cn(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc1I 1307363164 YJTFJIWOZFZXQK-UHFFFAOYSA-N 439.169 2.266 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(N3CCCOCC3)CC2)c1 1309568647 HGHRHYJPTFGZKL-UHFFFAOYSA-N 428.352 2.196 30 10 IEEE CCN1CCN(CCCn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313960222 FYVHESBFEVCDKV-NRFANRHFSA-N 431.585 2.400 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)C)CC1 1313995844 HCTSFHYOWBXVJR-IBGZPJMESA-N 425.537 2.339 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1OC 1316333443 CALUMCKWTBJHCM-AGKXRFJRSA-N 441.532 2.394 30 10 IEEE CN1CCC(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC1 1355382089 FDFUTCJMTPCAAV-ATJXCDBQSA-N 436.578 2.329 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccccc2)CC1 1358978888 XHODLGXAGONXJZ-HSZRJFAPSA-N 446.599 2.457 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359099584 QGISXBFEPJAETE-PKOBYXMFSA-N 439.626 2.320 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359159558 YMQBGYBGXWIRDG-QRVBRYPASA-N 438.642 2.413 30 10 IEEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1359222963 XDGAIFUZHSUNPB-KRWDZBQOSA-N 425.541 2.149 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359313349 KNGBJMZSWIHTOU-FUHWJXTLSA-N 433.578 2.463 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1360474880 XHRBUCQNVNCEJX-VLIAUNLRSA-N 431.566 2.181 30 10 IEEE COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1438911350 SMSVOSVCNNBESY-YJBOKZPZSA-N 433.892 2.039 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cccnc3N3CCCC3)C2=O)cc1 1453206904 WUPFKINJTRHNJK-LJQANCHMSA-N 432.484 2.075 30 10 IEEE N#Cc1ccc([C@@H](C(N)=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)cc1 1460599724 QKTGQYGKWDQFKC-IBGZPJMESA-N 427.302 2.192 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Br)cn2)ccc1F 1462259643 UYHFLCFUXXXBGV-UHFFFAOYSA-N 428.283 2.378 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCc2ncc(Br)n2C1 1463353815 BPLGZUVDRVBPII-CQSZACIVSA-N 442.321 2.241 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1464643641 XTWPZSGHJKKQCQ-QFIPXVFZSA-N 426.473 2.144 30 10 IEEE CC(C)(C)c1cc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)n(-c2ccc(C#N)cc2)n1 1466520024 IAXCUZNUHYEMRU-QGZVFWFLSA-N 445.545 2.055 30 10 IEEE C=CC1(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CN(C(=O)OC(C)(C)C)C1 1466922313 XOQRFNSBLCOWJR-UHFFFAOYSA-N 428.537 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCC2(C#N)CCCC2)CC1 1478912801 SDRLSRNATWGIPE-KRWDZBQOSA-N 433.553 2.324 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1499942726 GGIWFUALQPQINY-OAQYLSRUSA-N 431.562 2.381 30 10 IEEE CS[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1505174219 ZIDCTVNULAOUHS-NVXWUHKLSA-N 444.609 2.164 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNC(=O)C(C)C 1507622873 NXWIJBSGIPBHFX-CALCHBBNSA-N 432.569 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCO[C@@H]1CCOC1 1507643815 SIVMROHIQGRORA-MRXNPFEDSA-N 432.322 2.304 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507833049 UNHGEGULUYQEOG-UHFFFAOYSA-N 443.621 2.344 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1507925168 ZZXZPEXQASLSES-YPAWHYETSA-N 439.560 2.483 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(OC)OC)c2)C1 1508123246 LQTKBXABEAXIBO-RTBURBONSA-N 441.532 2.350 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccnn1C)C1CC1 1508140503 IQDPVDQSFAJFIT-SFHVURJKSA-N 434.566 2.023 30 10 IEEE CC(C)NC1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1509777168 LCWIKLXSTSXYNU-QZQOTICOSA-N 443.596 2.360 30 10 IEEE C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1510084358 DAHDHEIFYCKSRU-DBXWQHBBSA-N 434.610 2.042 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1510111302 HEIDCGDFJLFAFF-QGZVFWFLSA-N 430.578 2.172 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@@H](C)C1 1512069011 ZVGHEMBRJGANER-QZTJIDSGSA-N 436.564 2.446 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCO[C@H]2CCOC2)CCOC1 1516170947 POPVDOVEJKMCCC-PGRDOPGGSA-N 433.553 2.256 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1516918729 JVFIIJDIVLJFRR-NOBJBPSSSA-N 429.546 2.348 30 10 IEEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)C2(C#N)CCSCC2)CC1 1536912526 CPECUEPQFLHZPU-UHFFFAOYSA-N 436.622 2.417 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539218674 BYTPBSLFSKTPBK-ZWKOTPCHSA-N 447.605 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC(=O)Nc1ccc(F)cc1 1539292058 ZIBAJJSNJNHPIT-UHFFFAOYSA-N 438.507 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539312802 ZYIPTDJBOCKXCO-GOSISDBHSA-N 429.532 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CC1 1539338377 ZLUCGXDLFIKNGH-UHFFFAOYSA-N 430.505 2.036 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2=CCCOC2)CC1 1539434858 VYQWHXUVUSGXSO-UHFFFAOYSA-N 445.365 2.148 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1539527131 UXANHFSZLAICJQ-MRXNPFEDSA-N 429.521 2.174 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCOCC2)CC1 1539836434 SZYOPJMSMOLBDX-UHFFFAOYSA-N 445.589 2.227 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1540826322 XALIZWPQJNGQKM-NRFANRHFSA-N 426.900 2.356 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1540885634 MVWYFESTMBBDTF-APWZRJJASA-N 432.546 2.170 30 10 IEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1540917991 HZULTWLDJUHJHF-UHFFFAOYSA-N 435.619 2.178 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC)C1 1540919407 AHLYDIXJCOUJHX-HNNXBMFYSA-N 448.618 2.151 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1=CCCOC1 1542054768 SPPCTHCBMHIOTD-OAHLLOKOSA-N 443.577 2.489 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1546394598 HDKVXBJYMKKRNZ-QRWLVFNGSA-N 435.532 2.377 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)C1 1555798612 ICCKUTKQODYGKX-OAHLLOKOSA-N 425.461 2.069 30 10 IEEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CCO1 1555994006 DQIBUQYLPFNLMD-HOTGVXAUSA-N 435.937 2.368 30 10 IEEE Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1558465106 WZIJYCQIKOSRFD-GTBBCORBSA-N 432.463 2.489 30 10 IEEE C#CCN(C(=O)CNC(=O)c1cc(Cl)ccn1)C1CCN(C(=O)OC(C)(C)C)CC1 1559032050 HPDKMIYPUHHJTG-UHFFFAOYSA-N 434.924 2.326 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)c1 1565246828 JWSYDEMXFZLCHY-PGRDOPGGSA-N 434.496 2.490 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ncccc1F 1587581123 WBFHTKHEEASWDU-OAHLLOKOSA-N 443.504 2.420 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1587898069 FSZFHOMJTBBSMJ-AZUAARDMSA-N 428.581 2.112 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCn2ccnc2C1 1587905089 UJDBMLJQPPPBHU-QGZVFWFLSA-N 437.935 2.390 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccsc1)N(C)C 1588089186 GLCDBBWIPDHXPP-SIKLNZKXSA-N 427.574 2.367 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1588800755 NZKGYKYIYMUFJI-FQEVSTJZSA-N 439.564 2.256 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1 1589042732 MBVMRXOGILXPNW-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1589151326 XJMLUFUAOUIIFJ-AUUYWEPGSA-N 436.607 2.142 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1594492106 SJAJRNXZDPPAKP-UHFFFAOYSA-N 444.536 2.079 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](F)COC 1595133667 KJPWDZKNOHGUJO-DLBZAZTESA-N 440.516 2.496 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1595170400 BQBWRUPHVHZCEK-HSALFYBXSA-N 430.597 2.148 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1595219200 RXAYAFBZBWGUNI-AWEZNQCLSA-N 437.488 2.132 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595501514 WQLYMDWHENTOEP-NRFANRHFSA-N 449.559 2.220 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C(C)=O)CC4)cc3)cc2C1=O 1595936206 XQEKSVAYPQSZLE-UHFFFAOYSA-N 432.480 2.389 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(n3cc(Cl)cn3)CC2)s1 1597531191 LBFNRPHGJNTIIJ-UHFFFAOYSA-N 428.967 2.469 30 10 IEEE Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1NS(C)(=O)=O 1597666401 OSGWFNALYSHTSW-UHFFFAOYSA-N 425.463 2.055 30 10 IEEE CCc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1613796808 FFRMLAWZAMEQFG-MRXNPFEDSA-N 430.578 2.433 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1615093304 GMBVVOQTDVZNAC-UHFFFAOYSA-N 444.543 2.319 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 1616218961 YZBSYRQFKZXVFL-FQEVSTJZSA-N 448.608 2.134 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1617915405 AMYXWTFGBWTBCM-MOPGFXCFSA-N 427.501 2.038 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1618021756 LVEXITYNPROXDH-NZSAHSFTSA-N 440.500 2.349 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C(=O)OC)cc1 1622563391 PXIDAPYSKUTODY-UHFFFAOYSA-N 436.530 2.497 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2Cn2cccn2)s1 1624706625 GYGIGOPZPJHUPI-UHFFFAOYSA-N 430.555 2.316 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)OC)c(C#N)cn1CC 1625718004 HZJXGHDYVKEUAW-INIZCTEOSA-N 446.435 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)N2CCN(C(=O)CC#N)CC2)C1 1635737430 NMXJGBQXQPPSPD-UHFFFAOYSA-N 428.489 2.014 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCN(CC(F)F)C3)C2)C1 1636570099 HBMSUDWREHIAAE-XAHBDIOTSA-N 426.508 2.476 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1C 1642539819 JSUBNFATEYYXBJ-UHFFFAOYSA-N 426.542 2.393 30 10 IEEE COC[C@@H](C)Oc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1663785194 FCBDLLXOQYOFBG-GOSISDBHSA-N 429.542 2.478 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)C1 1681228382 YBWGMFHIPULPBW-FHWLQOOXSA-N 441.532 2.349 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682021117 AFNOBSNZJDIYMW-MBSDFSHPSA-N 441.532 2.358 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)c1ccccc1 1686919849 NCGJPCCLECCDRF-MRXNPFEDSA-N 447.280 2.287 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1689910784 QCEGVUDZUXLOBX-UHFFFAOYSA-N 437.548 2.422 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)[C@@H](C)CC 1690006641 VYLZBYYJQYXSPB-JTSKRJEESA-N 428.558 2.219 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCS(=O)(=O)Cc1ccccc1 1690012010 MDFRDZDRHKUEBT-UHFFFAOYSA-N 433.537 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1690047680 WVYQFYYCHLVQJS-QHCPKHFHSA-N 433.556 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCC)CC1 1690144329 UYZNOMFSLMBZJK-UHFFFAOYSA-N 445.527 2.148 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690219768 KRYWIZCZCMBKSJ-HOCLYGCPSA-N 439.358 2.087 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H](O)C1 1690615784 RWHIRWWRGAPLJE-FXAWDEMLSA-N 438.536 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1690717573 JWVJVFQXBPLKNN-YJBOKZPZSA-N 449.533 2.458 30 10 IEEE C[C@H]1CN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CCCO1 1691001670 MBJGXBGPCXSLBP-IRXDYDNUSA-N 443.552 2.103 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)C1 1692844980 SZRRBPWAGOSXJO-QFIPXVFZSA-N 430.553 2.230 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)sc1C 1692900136 GZFBRWAPZKSTRO-UHFFFAOYSA-N 442.570 2.368 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@@H]1C 1693708301 ARHPSXXMNBRHKP-IRXDYDNUSA-N 428.562 2.335 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F 1698061226 MZVFYXPEAVDOLP-CQSZACIVSA-N 440.401 2.200 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(COC)CCCC1 1698253700 BVXFSDQJNAWDQT-FHWLQOOXSA-N 433.553 2.328 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN2CCSCC2)c1 1705507456 BVRWIWXPOWKKTO-UHFFFAOYSA-N 438.601 2.336 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(C)=O)CC1 1705538344 KSWKBOQGVMURJD-UHFFFAOYSA-N 428.562 2.130 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705563645 BNTUAVYYRBFGOJ-ROUUACIJSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567490 XAJHHAQVUNIFJG-SFTDATJTSA-N 442.585 2.432 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1c2ccccc2C[C@@H]1C 1705574340 BESYGECJYYKLNI-NBGIEHNGSA-N 433.556 2.454 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)c2nc(C)cs2)CC1 1705642377 ROJTZFHTICXIRK-INIZCTEOSA-N 438.605 2.464 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705662765 KPJYHSXBSONFTA-IBGZPJMESA-N 426.590 2.371 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1705672697 FVMLJQVFWNFBRB-DNVCBOLYSA-N 437.491 2.052 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)cc2OC)CC1 1705762985 MTHIFXIPTXBMTA-MRXNPFEDSA-N 449.577 2.305 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1705836507 VSFVOIKYJMTXCO-UHFFFAOYSA-N 447.381 2.494 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1705877801 DQAMGSFGILGEOS-XXBNENTESA-N 425.533 2.270 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1711108063 NRRNTTGTKCVKIR-UHFFFAOYSA-N 449.496 2.288 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C[C@@H](C)O1 1712287011 AHBVFYJELIZLSJ-DYVFJYSZSA-N 425.518 2.265 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722357805 AMAHEROPJAOGJC-HXUWFJFHSA-N 443.573 2.229 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCCN(CC)S(C)(=O)=O 1722393821 LKDGSXTVSHBQLI-UHFFFAOYSA-N 427.574 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)COC 1722393999 LWABJMDTDRMSDM-SFHVURJKSA-N 432.528 2.420 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722500647 MMRVWAGGKZNJAG-AOIWGVFYSA-N 426.583 2.199 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722599341 GTTNJHXIVNQTTG-SJORKVTESA-N 425.599 2.376 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1722629922 PWCOHAJDFJOSQK-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1722663154 UFQCFHDXTGZYIK-UHFFFAOYSA-N 447.586 2.467 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1722693697 XUKMIRNRRNBVFK-CRAIPNDOSA-N 431.562 2.276 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](OCCOC)C1 1722694922 MFEKWACGYUPNLA-GOSISDBHSA-N 436.516 2.037 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(NC(C)C)CC1 1722700261 COZAXNUQOWFZQF-UHFFFAOYSA-N 426.565 2.147 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCCn1cnnn1 1722864233 ZZPGVZQDLWZRRY-CYBMUJFWSA-N 430.314 2.380 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C1 1723478149 YNYCFZMMJGHHGJ-RBUKOAKNSA-N 430.578 2.016 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1723817588 FRDISYANJXQVAU-GOSISDBHSA-N 441.543 2.360 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCCN2CCC(O)CC2)cs1 1725299096 MXQCTJPMAGNHHB-UHFFFAOYSA-N 429.594 2.221 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1729482386 GOOXMUKBZLNYHG-HXUWFJFHSA-N 437.592 2.315 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)cc1OC 1730072041 DHVPQMPKEQEIGR-NRFANRHFSA-N 446.552 2.453 30 10 IEEE COc1ccccc1Cc1nnc(N(C)CC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1730283044 FNXHAXKHDMEJFA-DQRAZIAOSA-N 438.532 2.496 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)OC 1730876815 VDVVEBWBHKTLIC-QKLQHJQFSA-N 429.521 2.487 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1740567534 SRTRPMSQWQVXOH-MRXNPFEDSA-N 447.561 2.099 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccccc1Cl 1740641861 OGTRYGDIAFOEBE-JOCHJYFZSA-N 425.920 2.034 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N(C)C 1740675833 JGDWLTTZNHVAAD-UHFFFAOYSA-N 449.490 2.183 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccc(C)cc2)CC1 1740691691 LVLYQHSNYXZODZ-UHFFFAOYSA-N 432.528 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(CN(C)C)c2)CC1 1740708209 GTFGELIJORMNBY-UHFFFAOYSA-N 434.588 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)C1 1740767232 NJAUKQNXHQTRLJ-JTSKRJEESA-N 441.532 2.173 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1740900174 VPPJKLGKEZTZOU-HXUWFJFHSA-N 425.581 2.402 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 1740918667 OLXZXLVQWCAKRZ-GOSISDBHSA-N 434.500 2.445 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1740970130 FHOSBNDWDNYBNM-QGZVFWFLSA-N 433.578 2.313 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1740991877 HJWVZAFTWSLWGV-UHFFFAOYSA-N 432.590 2.324 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC1CCCCC1 1741132524 ZPGAJUVWTZAQKH-HNNXBMFYSA-N 441.536 2.441 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1741624766 FIFSJOUOOWJCQF-UHFFFAOYSA-N 431.491 2.119 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1COCCO1 1743749218 LALCDGVMSPEYDZ-HKUYNNGSSA-N 425.537 2.190 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1746460163 HTDZFBFPHAHUIZ-TZIWHRDSSA-N 437.592 2.256 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1747816967 HJLKQQFMUIRGND-AOCRQIFASA-N 447.536 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1748637499 AWLGBECMESCIJP-SNVBAGLBSA-N 431.850 2.328 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1CN(CC)CC)[C@H]1CCS(=O)(=O)C1 1748806046 ZBMOSMCZAWLEDS-NRFANRHFSA-N 429.590 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1748876427 FTBSCAQXQINTMM-IRLDBZIGSA-N 444.543 2.445 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1749019641 BXIFFCKOIGLDTN-JOCHJYFZSA-N 443.548 2.118 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)S(C)(=O)=O 1749058380 GSGJOKOYTMJPHB-JOCHJYFZSA-N 440.573 2.480 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)C(C)C)C1 1749699977 FXBLNAJTHTYCOD-KNQAVFIVSA-N 438.536 2.109 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)C1 1749713376 SNCKGTOEILFTQP-RTBURBONSA-N 439.626 2.080 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(c2nc(C)no2)CC1 1749730021 XEJPBZJAJMKJGO-UHFFFAOYSA-N 443.533 2.016 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(=O)NCC)CCC1 1760166051 OWGSOBNGNDLBKE-UHFFFAOYSA-N 441.532 2.347 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760345632 KXQQIJQEYGMCBF-TYPHKJRUSA-N 430.597 2.475 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(OC)CCOC2)CC1 1760384039 HXWAVKHWNZCCAM-OAQYLSRUSA-N 432.546 2.311 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760423554 DFCPMBWGXUCNFH-SFHVURJKSA-N 427.505 2.371 30 10 IEEE CC(C)c1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)n1 1760688141 BLPNKXUEDHBCKA-QWHCGFSZSA-N 425.584 2.112 30 10 IEEE CC(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1761094613 ARMMEEZAPOCDOV-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)CCOC 1761880440 CSCMXNXNPUFFKQ-VGSWGCGISA-N 427.553 2.172 30 10 IEEE C[C@@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCC(C)(C)O)CCO2 1763278440 DDDGHRUGYZBWFR-SBUREZEXSA-N 441.532 2.274 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(CS(C)(=O)=O)CC1 1763654433 HNGYSHNKZGKSJY-AWEZNQCLSA-N 444.561 2.151 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1769084471 PZUOXNMQYFFFRY-SEUSBTRISA-N 440.504 2.234 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1769845003 FVVLNTLXMZYBFS-LJQANCHMSA-N 436.520 2.086 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN(C(C)=O)C1 1769846797 HKBJOYMGDBNYFP-SFHVURJKSA-N 445.593 2.259 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)C[C@H]1OC 1770303896 FHWKKPPXCDBZHR-JYAXBFRTSA-N 441.532 2.130 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)cc1 1852159122 BUBOMRQTPXZJCN-UHFFFAOYSA-N 443.916 2.225 30 10 IEEE C#Cc1cnc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1852180032 SJZNMUNTPZZETK-UHFFFAOYSA-N 449.916 2.388 30 10 IEEE Cc1nnc2c(N3CC[C@H](NC(=O)c4ccc(Cl)cc4N=CN(C)C)C3)nccn12 1853203368 UFANVZQIAJRHJO-HNNXBMFYSA-N 426.912 2.316 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc3nc(CC)sc3c2)C1=O 1854179235 OBFUNZPWMWVXJA-DLBZAZTESA-N 426.542 2.319 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2=O)CC1 1857387073 BMONKOKUOFSIMM-QFBILLFUSA-N 428.920 2.446 30 10 IEEE C=C(I)C[S@@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1881442044 JEAGRHOYZWKLQJ-VERVWZFWSA-N 437.255 2.063 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)CNC(=O)OC(C)(C)C 2006263147 MESOVBCJGLGIBS-WFASDCNBSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2015901592 RTLQLWDWXYXBJS-VFNWGFHPSA-N 440.541 2.062 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCC2)O1 2054380744 JBFXUFXCLFLBHY-ZDUSSCGKSA-N 439.372 2.373 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)C1 2247557839 KAAOQTWABZETHW-UHFFFAOYSA-N 439.553 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247778884 JRKODOIXHPIIOJ-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247880550 HIOMPZIIRNGDCD-UHFFFAOYSA-N 440.371 2.131 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2247905083 FLTVONYWPHPYNZ-UHFFFAOYSA-N 429.351 2.139 30 10 IEEE C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248403811 GQMGKEPEVPTSAZ-ODXCJYRJSA-N 437.371 2.362 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631813 FEQCAYKZAGHGDW-OKILXGFUSA-N 434.346 2.179 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255827769 MPSOXHBTQXIGNA-CQSZACIVSA-N 434.346 2.038 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n1 2255831699 ZWWTYIKMBFHZPQ-ZIAGYGMSSA-N 436.362 2.234 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2255838290 CYVJQUZSGVUDHS-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267138785 XCOPYVOYBQEALQ-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE Cc1nn(C)c(C(=O)N2CCCN(Cc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2267139998 NFUMBIBFVQCOPA-UHFFFAOYSA-N 438.381 2.376 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2267142879 ADAQNSTUYQBULM-GJZGRUSLSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267214313 OOUIEBIZOKMYNG-RDJZCZTQSA-N 443.353 2.462 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2267528297 QRKSIHPZDCYYNV-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267579484 UBRIMRVYCIXSAW-MAUKXSAKSA-N 446.353 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267614346 MKOKVXVHEZLXLH-JOCHJYFZSA-N 449.332 2.460 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2282146769 DMIMZMKPZKDCON-QFIPXVFZSA-N 449.404 2.498 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)O 2319266931 NFYQUPNBPPFDFQ-HNNXBMFYSA-N 427.310 2.318 30 10 IEEE O=C(C1=CCS(=O)(=O)CC1)[C@@H](O)c1sc(Cl)cc1I 2341098828 PNNOVWIXQVNGKB-SNVBAGLBSA-N 432.688 2.354 30 10 IEEE Cc1cnc(C(=O)N[C@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2343500681 UAUAHJPNYALCRT-LJQANCHMSA-N 440.349 2.387 30 10 IEEE Cn1nc(I)cc1[C@H](O)[C@H](N)C#Cc1ccc(Br)cc1 2360934405 QYQARQQKNPGOTN-BXUZGUMPSA-N 446.086 2.200 30 10 IEEE CC1(C)OB(c2ccc(CN3CCCS(=O)(=O)CC3)cc2Br)OC1(C)C 2377444163 KTZGVAOXCWOANJ-UHFFFAOYSA-N 444.200 2.369 30 10 IEEE Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3sc4c(c3C#N)CCCC4)c(=O)c12 19989276 KRXZYZWOJYSRME-UHFFFAOYSA-N 427.511 2.316 30 10 IEEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)c1O 20527560 JDJXMINBLYNVAD-AWQFTUOYSA-N 430.519 2.059 30 10 IEEE C=CCc1cccc(/C=N/Nc2nc(SCC(=O)NCc3nnc(CC)o3)n[nH]2)c1O 59878778 WNBRSPZVEROLBF-ZVBGSRNCSA-N 442.505 2.039 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1C 103092290 GKYVWSTVHQVPLG-UGDGIKRESA-N 429.473 2.385 30 10 IEEE N=C(N)N/N=C1/C(=O)N(C2CCCCCCC2)C(=O)[C@H]1C(=O)NC1CCCCCCC1 108794580 SAGABTFLQRFBNN-SJOXAGSUSA-N 432.569 2.152 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1c(Cl)cccc1Br 326396629 LSQRGEMAYGECSR-UHFFFAOYSA-N 436.759 2.339 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)cc2Cl)c1 441292886 UQCUVRMVZPUYDQ-UHFFFAOYSA-N 436.859 2.404 30 10 IEEE COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC(F)F 480780631 OQTJCRIHKPCRBK-GFCCVEGCSA-N 439.440 2.151 30 10 IEEE N#CC1(NC(=O)CNC(=O)N2CCc3ccccc3C2)CCN(Cc2ccccc2)CC1 482611609 YOEVZFYNLBNTMY-UHFFFAOYSA-N 431.540 2.429 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 503133173 RUHHBOCFEZPCNQ-NTKDMRAZSA-N 442.560 2.262 30 10 IEEE COC[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(F)cc1 513190239 RNKQCWCKSFKIJZ-QGZVFWFLSA-N 425.395 2.465 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC[C@@H]2COc3ccccc3O2)n1 513279336 NDVKVMBOFKESKQ-CQSZACIVSA-N 435.415 2.168 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)cc1 524337461 LQFQKHJTBDNBAK-UHFFFAOYSA-N 445.544 2.428 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 549286244 YRAPSCAZJSKQIU-KRWDZBQOSA-N 430.452 2.428 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(F)c1 584547497 CNPYRABWZOUEJL-DLBZAZTESA-N 429.473 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=S)NCCNC(=O)c2cccc(C#N)c2)CC1 586414273 GTXJDPTYIIYJPR-UHFFFAOYSA-N 431.562 2.105 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)ccc1Cl 603975393 XYLAILGLVJSILX-UHFFFAOYSA-N 446.916 2.350 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 609168847 LBUFVFFGBXKMCC-KRWDZBQOSA-N 439.888 2.341 30 10 IEEE C[C@@H]1[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC(=O)N1Cc1ccccc1 619602184 FTZZPILBZDKBCB-VQIMIIECSA-N 448.527 2.445 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C)c(F)c1 727416149 HMGVHWVNEXICRK-UHFFFAOYSA-N 425.485 2.359 30 10 IEEE COc1cccc(Cc2cnc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)s2)c1 732233633 IJOMVYCHFDZPOX-ZCXUNETKSA-N 427.486 2.390 30 10 IEEE CSCC[C@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734290943 BVDNYTKVMQTVRS-KRWDZBQOSA-N 431.539 2.223 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ncc(CC)s3)CC2)ccc1F 742128573 ISRNKTMVPDDBFU-UHFFFAOYSA-N 438.550 2.271 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c1 746639812 GYBVZCQISNMKMR-LJQANCHMSA-N 425.554 2.335 30 10 IEEE COc1ccc(COC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C#N 746990720 RMPMFMPQLMBKSG-UHFFFAOYSA-N 446.481 2.140 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)Cc2cccc(C#N)c2)cc1 750431576 XUMMSDRSSUOQCH-HNNXBMFYSA-N 429.498 2.358 30 10 IEEE C#CCN(CC#C)C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 752150415 WMWJQLPBMOTSCV-UHFFFAOYSA-N 428.432 2.081 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@]2(C)CCCO2)C1=O 756079001 RCJJTVWEDAUDSE-AVRDEDQJSA-N 443.573 2.127 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1 758315536 DHLUNPMFSIEPHK-HKUYNNGSSA-N 441.532 2.349 30 10 IEEE COc1ccc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c(NS(=O)(=O)C(F)F)c1 761522231 CFKXDGOZQQMHMO-UHFFFAOYSA-N 445.469 2.352 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 778110487 JJTCVEDYFIDDLD-UHFFFAOYSA-N 442.541 2.157 30 10 IEEE N#Cc1cccc(NC(=O)COC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 782401025 COYINAFHUWDTES-UHFFFAOYSA-N 430.214 2.447 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc(C2CCC2)n1C 783109330 XYNJGPBARBEVMX-MRXNPFEDSA-N 445.545 2.423 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCC3(C#N)CCOCC3)CC2)c1 783431361 NONWNMNYZZQJDB-UHFFFAOYSA-N 434.514 2.153 30 10 IEEE Cn1cc([C@@H](O)C[C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 788657372 IHILSMCPWNZXKF-YOEHRIQHSA-N 439.335 2.331 30 10 IEEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 803697680 OFKNWUIMSOKLLU-UHFFFAOYSA-N 430.526 2.396 30 10 IEEE COC(=O)N1CCC[C@@H]([C@@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)C1 805066914 DACIBZFYUSOGOZ-VXGBXAGGSA-N 430.324 2.466 30 10 IEEE CC(C)N1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](c2cnn(C)c2)C1 849481904 OMKXOVFLLNNVNX-ZEQRLZLVSA-N 434.588 2.450 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 916775429 SRBGQAUJKJSSCZ-QGZVFWFLSA-N 431.901 2.206 30 10 IEEE Cn1cc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(=O)n(C)c1=O 918630450 RSWWQSAPTWDADU-ZHACJKMWSA-N 432.455 2.337 30 10 IEEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n[nH]1 1084397775 BHGJFBZXDZLINP-UHFFFAOYSA-N 441.546 2.445 30 10 IEEE C#CCN(C(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 1125884398 UDZQXYMCLRGDOS-CQSZACIVSA-N 435.908 2.416 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)C2=O)cc1 1130260552 RYDBYQURIHMXTD-MISYRCLQSA-N 433.468 2.195 30 10 IEEE C=CC[S@@](=O)(=NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)c1ccccc1 1134654448 GSLRFYNVHUWDCD-PMERELPUSA-N 426.498 2.048 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1ccc(OCC#N)cc1 1135413857 YKDGLKBPIHMPNJ-BMGDILEWSA-N 449.529 2.198 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 1137354179 WAZSQEZXUBVQSD-GUYCJALGSA-N 427.448 2.408 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(CC4CCCC4)c3)CC2)cc1 1141411814 NMXMQNMVSHYUJF-UHFFFAOYSA-N 427.530 2.092 30 10 IEEE COC[C@@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCCCN1C(=O)OC(C)(C)C 1141568773 MXKRPXCJDRIWCY-HSZRJFAPSA-N 443.548 2.408 30 10 IEEE C[C@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1F 1144795356 WXUSQBDWJYVSED-BTYIYWSLSA-N 445.516 2.336 30 10 IEEE CCOC(=O)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)CNc1ccc(C#N)cc1 1154771596 IJOUAXJSYCFSDK-SFHVURJKSA-N 430.505 2.275 30 10 IEEE Cn1cc(-c2ccnc(C3CCN(CCS(=O)(=O)c4ccc(C#N)cc4)CC3)n2)cn1 1174957637 YPQDDMATRTZWKO-UHFFFAOYSA-N 436.541 2.402 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCN1C(=O)S/C(=C\c3cccnc3)C1=O)C2 1254481248 LOOAQOCRLUSESV-LMDZTEHRSA-N 433.493 2.456 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1286415985 KQPXQLVEVBXOKQ-JOCHJYFZSA-N 439.535 2.426 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCOCC1 1286469911 MUEWRLIUGQOUQQ-XUVXKRRUSA-N 433.597 2.003 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ccn(C)n2)CC1 1286474305 HBRUZFIJAGMGRS-UHFFFAOYSA-N 449.559 2.280 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nnc(C)s2)CC1 1286484868 YUJMNTGBUGCISU-UHFFFAOYSA-N 437.573 2.323 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(O)cc2)CC1 1286490316 KMEFSQMRTFDZOC-UHFFFAOYSA-N 430.512 2.368 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286506881 PFSRUUQCNAUNBF-QGZVFWFLSA-N 439.651 2.410 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1286566136 MDFZBJBJPZRPNE-ZJBJCVSYSA-N 438.532 2.410 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286712074 SBAIRUPCSKGKHF-FUHWJXTLSA-N 448.593 2.020 30 10 IEEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286835403 SASYVOJDZUKSGL-SFHVURJKSA-N 431.562 2.036 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCc1ccccc1 1288826743 UWFCCMRIBMVGJO-UZLBHIALSA-N 434.541 2.353 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)c1C 1289092385 GYHQXEYSXSZRBB-VQIMIIECSA-N 440.548 2.490 30 10 IEEE CCC[C@@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1293844905 ZEWMDCSJYNTENU-DVSDUFGPSA-N 448.568 2.329 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)s1 1295938182 ZMVUOUNYMZWZIQ-SFHVURJKSA-N 431.539 2.227 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1300497073 XEFIDNDVMAEQHF-RTWAWAEBSA-N 440.569 2.294 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300505333 ZVCLESCREIRIKO-NZSAHSFTSA-N 439.541 2.011 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1c(CC)nn(C)c1OC 1300547968 FFWOXXXMOKPWKX-UHFFFAOYSA-N 443.511 2.154 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCOCC1 1300554561 FFFCUJUXOCCZES-UHFFFAOYSA-N 435.528 2.152 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1300584619 YFNLFRTXODHJCF-UHFFFAOYSA-N 428.533 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@@H](C)[C@H]1C 1301568621 VFKFLRVHSXHSQK-CABCVRRESA-N 443.639 2.128 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1302409297 NFKSFCMZFNITMA-NTKDMRAZSA-N 449.559 2.036 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCCOC(F)F)cc1 1302993796 GOCVHZXOVYXDQJ-HOTGVXAUSA-N 449.414 2.472 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CC1=O 1303185399 BKSSGHGGIQPNHD-UHFFFAOYSA-N 449.559 2.167 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)c1 1304284652 BIXIAVZEWBGDCD-UHFFFAOYSA-N 446.577 2.153 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 1309655432 VTOQHNHWAWWGDR-UHFFFAOYSA-N 442.603 2.419 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C12CCC2 1314254705 KKEPEDVZZXUVQJ-NNGLLJABSA-N 428.537 2.151 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1316233048 GVLSTESCAGURCI-REWPJTCUSA-N 441.532 2.254 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(C(=O)C(F)(F)F)CC3)C2=O)cc1 1320526867 IBUOOSSINBJPRU-HNNXBMFYSA-N 436.390 2.133 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCCN1C(=O)c2ccccc2C1=O 1357623724 XDVMWXZLBZUUEG-UHFFFAOYSA-N 428.242 2.112 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCNS(C)(=O)=O 1358874430 XFFRPIRKPYDQHE-CABCVRRESA-N 439.969 2.469 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)N1CCOCC1 1358921953 OQJVSFVICJCGMY-UHFFFAOYSA-N 433.516 2.044 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(C)cc1 1358984737 FRHUQAAAHPNRBY-RTBURBONSA-N 443.573 2.127 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccco1)N1CCCC1 1358997506 VQRMVECHNPDDDC-FQEVSTJZSA-N 434.544 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)C1CCCCC1 1359026750 JPTLANPSWVDBJG-UHFFFAOYSA-N 441.580 2.017 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCS(C)(=O)=O 1359051866 MAHMENKTWDBQAQ-UHFFFAOYSA-N 442.994 2.454 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)C(C)C 1359264451 GDPNDOMYEHAXEC-WOJBJXKFSA-N 443.596 2.052 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1359299025 RWMQFGVXPMVULV-MRXNPFEDSA-N 449.559 2.367 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1359466537 CXYRKPOFUKGLLM-KFWWJZLASA-N 438.529 2.091 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCCNS(=O)(=O)c1cccs1 1435614865 GSPRVIDDWODUPL-UHFFFAOYSA-N 428.333 2.019 30 10 IEEE C[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1436558927 DIQZXUALFZXMII-QGZVFWFLSA-N 444.532 2.001 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 1452424781 YBTPAWVGIIROGF-PKOBYXMFSA-N 440.500 2.492 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)C1 1455706319 RQHSRCRZESWYLH-IBGZPJMESA-N 443.594 2.323 30 10 IEEE C[C@H](CC(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1455868421 AIOKSDVSZHLVSS-RDTXWAMCSA-N 440.525 2.484 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cs1)C(N)=O 1462107250 XDTNEAJHKZZSMM-QGZVFWFLSA-N 429.571 2.262 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)[C@H]2CCN(c3ccccc3)C2=O)s1 1464957161 PWYTWGQPSSVDTP-SFHVURJKSA-N 447.582 2.409 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CC2)[C@H](C)C(=O)OC(C)(C)C)s1 1469099121 QUPXYDMFLJRKQI-CYBMUJFWSA-N 428.576 2.476 30 10 IEEE C[C@]1([C@H]2CCCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)COC(=O)N1 1470672741 WWCPEMMMLZAWBK-WMZHIEFXSA-N 425.533 2.443 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](c2cnccn2)C1 1472051851 SKFPVTVDVIQIGU-MRXNPFEDSA-N 427.530 2.092 30 10 IEEE C#C[C@@H]1CCCCN1CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1473868893 YQMYWZDWWNOCDA-LJQANCHMSA-N 437.544 2.056 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1494642447 GDLMRUBMXDKOKP-XIKOKIGWSA-N 435.326 2.316 30 10 IEEE CN(C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1503401472 AICWQVBZHKKERG-UHFFFAOYSA-N 436.358 2.354 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCCO 1507533048 PCHGUXKVTOADOR-KRWDZBQOSA-N 435.569 2.250 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2nnc(C)s2)c1 1507551023 UESPIPBXZLVHNY-INIZCTEOSA-N 437.529 2.046 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1507560627 MAFIROULRMNGSC-UHFFFAOYSA-N 433.516 2.360 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507910640 YDBBWZZHSKWWHR-UHFFFAOYSA-N 439.564 2.376 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1508080083 JWPZJSORSAIINZ-UHFFFAOYSA-N 449.490 2.276 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508150440 MENFEIUHEHGWSK-GOSISDBHSA-N 446.533 2.114 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)CN2CCOCC2)CCOC1 1516178101 BSIBYAAYVGMTJI-AUSIDOKSSA-N 446.596 2.029 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1516730967 CLSPKFYCBOPNGZ-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1517242650 COPORBMPJLSVDZ-UHFFFAOYSA-N 447.561 2.087 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1517628600 RNEIHLXQYDZZPC-UTKZUKDTSA-N 444.561 2.047 30 10 IEEE COc1ncccc1Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1518548109 FWFJXJAOEXLUMJ-MRXNPFEDSA-N 447.547 2.404 30 10 IEEE CCOC(=O)c1c(NC(=O)Cn2ncc(Br)c2C)c(C#N)cn1CCOC 1525335993 SZDQMHIJNQRWDK-UHFFFAOYSA-N 438.282 2.089 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1532373065 XFGQWFIDIRAGOM-UHFFFAOYSA-N 429.546 2.159 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1532460961 DIIABQPRYLNXQZ-QFIPXVFZSA-N 431.489 2.277 30 10 IEEE Cn1c(CCC(=O)N2CC[C@@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1533108299 LMLVNYKLFRZHLJ-QFIPXVFZSA-N 443.573 2.443 30 10 IEEE Cc1nc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)sc1SCC#N 1534069723 HUZOWQGJLKMEBF-GFCCVEGCSA-N 439.563 2.474 30 10 IEEE COc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2=O)cc1 1538674150 SBDQSHZPFPNNFI-QGZVFWFLSA-N 441.509 2.308 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1539089101 HSIYXCWYDIIWIX-UHFFFAOYSA-N 439.520 2.253 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1539093793 FGXVBLPODKCORN-JENIJYKNSA-N 431.562 2.268 30 10 IEEE CC(C)Oc1cc(Br)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539119338 VOUSFEAPTIQZOS-YVEFUNNKSA-N 427.320 2.247 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539231614 WEVYMSMTQZURLR-HMXCVIKNSA-N 442.585 2.115 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1csc(COC)n1 1539377131 FLYFWEQIIWGZMS-UHFFFAOYSA-N 430.559 2.380 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCC[C@@H]2C)n1 1539424425 PUPGLNBGDSNIAJ-JXHRLWIKSA-N 442.564 2.163 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 1539437452 AOKRIOUGYJJFCI-NRFANRHFSA-N 434.544 2.015 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540510727 HKXLGKGCHDQVFO-WBVHZDCISA-N 445.520 2.002 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1)c1cc[nH]n1 1540817109 GRSUFPJJGNDPLO-UHFFFAOYSA-N 449.895 2.468 30 10 IEEE Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1543196291 ZCRWCHUFHYJOFF-PLRJNAJWSA-N 445.545 2.196 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)s1 1545827745 ZVFGENSSILGXBZ-UHFFFAOYSA-N 431.580 2.080 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(Br)n2)CCO1 1555995301 OVXWUUFQVPTLSC-INIZCTEOSA-N 440.305 2.198 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1OC 1556619977 XVRSCQPKVYXZPW-YLJYHZDGSA-N 438.546 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1556905143 NSXULCCJPATICR-NRFANRHFSA-N 442.451 2.053 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1558110255 DUXGTPLPGOETHX-QZTJIDSGSA-N 444.557 2.166 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C(=O)OCC 1558130741 AAEXPNHOKAOEAD-INIZCTEOSA-N 428.489 2.412 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)Nc3n[nH]c(-c4cccc(C#N)c4)n3)CC(=O)N2C(C)(C)C)cn1 1559046754 RUDGZNAAAFNVFM-WMZOPIPTSA-N 432.488 2.404 30 10 IEEE C#CCN(Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)[C@@H]1CCS(=O)(=O)C1 1560681023 CHZOUUWKPVORJO-QZTJIDSGSA-N 436.574 2.460 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1=O 1567743708 KGMHUEYTLZTMTE-DVECYGJZSA-N 440.544 2.317 30 10 IEEE Cc1[nH]nc(I)c1C(=O)Nc1ccccc1-n1ncc(C#N)c1N 1568797960 MGUYWOADWNHPAX-UHFFFAOYSA-N 433.213 2.215 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3cc(F)cc(C#N)c3)CS(=O)(=O)[C@H]2C1 1587331146 YYAKZRBABUFUIX-XKQJLSEDSA-N 437.493 2.306 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1587620487 GGETYSGIVNZZFL-MRXNPFEDSA-N 430.516 2.109 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1588083714 ITVIEQGYBOKKLX-KRWDZBQOSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(C(=O)N(C)C)CCCC1 1588174236 UIDARVZFYFTOJB-UHFFFAOYSA-N 440.592 2.308 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1588930123 NXSVENWTSWHGJF-SFTDATJTSA-N 437.544 2.136 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2F)CC1 1589109735 JGGCNJJCZFVYBI-UHFFFAOYSA-N 442.564 2.233 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1589116937 PRIFROJJFNNICA-UHFFFAOYSA-N 431.562 2.353 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1589427636 TUDPHVDSUQJQHZ-YJBOKZPZSA-N 447.381 2.329 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1593722236 MPAVUYSNLDNIJO-INIZCTEOSA-N 427.505 2.324 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1594733813 YRLRZZWNWZWJNH-INIZCTEOSA-N 426.521 2.290 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1)C1CC1 1595020210 APMGQEJMJASNSB-OAHLLOKOSA-N 433.578 2.319 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2F)CC1 1595500801 FSIAQPKBBINFDZ-UHFFFAOYSA-N 425.468 2.009 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncccc2N(C)C)C1 1595680083 FZTRCIZYPFQXFT-MBSDFSHPSA-N 442.564 2.221 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595905015 AKBJGGTWUBJAPU-DWRORGKVSA-N 435.594 2.169 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1613895997 JUJIFXUQXKACMS-INIZCTEOSA-N 440.577 2.269 30 10 IEEE CC/C=C/Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614288281 FXWROFXAMQIDIJ-AATRIKPKSA-N 431.548 2.470 30 10 IEEE COCCOCCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 1619407839 YBYZMAQFPIDHBK-KRWDZBQOSA-N 434.606 2.354 30 10 IEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1619576239 HUZFWFPCZJWJNL-QGZVFWFLSA-N 437.548 2.483 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1620038536 UWTIWLADDPMTEH-VGOFRKELSA-N 442.495 2.053 30 10 IEEE C=CCCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1622728883 KHOMUZGYMHWBSJ-INIZCTEOSA-N 443.591 2.266 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CCNC(=O)CO)c1ccc2c(c1)OCCO2 1627420971 FFAPTODLURBTET-UHFFFAOYSA-N 426.469 2.054 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 1634555440 XZPCDGJSKGIJQA-NRFANRHFSA-N 431.602 2.398 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCc2nnnn2CC1)[C@@H]1CCOc2ccc(Br)cc21 1636270989 DOLUREHAIWVURG-GDBMZVCRSA-N 445.321 2.309 30 10 IEEE C[C@@]1(C#N)CN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 1639633178 ARSAEQWDBLUNLU-OAHLLOKOSA-N 439.843 2.168 30 10 IEEE C#CC1(F)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1643705845 FGIYIJGPLZVDRY-ZDUSSCGKSA-N 429.311 2.034 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)cn1 1644099398 POCTXXUSBBNWOC-HNNXBMFYSA-N 426.546 2.065 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N[C@@H]2Cc3cnccc3NC2=O)cc1OC 1644732270 POSGVOAJMPIZOC-GOSISDBHSA-N 426.473 2.299 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C)cc1 1645856040 WCMYKGCNYTUOMN-UHFFFAOYSA-N 437.562 2.316 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 1647980859 NHEAGUOBYIRZSH-HSZRJFAPSA-N 435.484 2.448 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 1648462280 QQVGGAUHYAQXLN-IIBYNOLFSA-N 433.461 2.406 30 10 IEEE CCOC(=O)CN(C)C(=O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648496647 PFNOXGBHGCOZCU-RKDXNWHRSA-N 426.304 2.111 30 10 IEEE N#Cc1cc(C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cnc1C(F)(F)F 1653357139 GBUZMEUAIVNVCF-LLVKDONJSA-N 440.179 2.423 30 10 IEEE CN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C[C@H](O)c1cccc(C#N)c1 1659321661 DISJQMQHGJGSCJ-NRFANRHFSA-N 438.553 2.351 30 10 IEEE CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1663159497 BTVNIDZWSBQCMS-UHFFFAOYSA-N 444.326 2.481 30 10 IEEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C1CCOCC1 1667052367 SVIUTTKIUHLKCX-LJQANCHMSA-N 432.546 2.487 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2cccc(C)c2)CC1 1674094851 NNWJDDCXUZNUBE-UHFFFAOYSA-N 428.577 2.494 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCc3cnc4c(Cl)cnn4c3)C2=O)cc1 1680025174 VRLPMCIGSRGTQS-SFHVURJKSA-N 437.891 2.292 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3CCN(C4CCOCC4)CC3)C2=O)cc1 1681516090 OWTBXQWZXMHDSH-QFIPXVFZSA-N 439.560 2.244 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)C2)nc1 1681563296 RRVFGLNGGKSWFL-QGZVFWFLSA-N 432.488 2.436 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 1683230479 UCVAGLUXVHLUBM-ZWKOTPCHSA-N 433.553 2.368 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C1CC1 1690060998 OGKZKZURYFTLMW-INIZCTEOSA-N 443.621 2.489 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(c2cccc(F)c2)CC1 1690092664 QMJJIFODTHGROE-UHFFFAOYSA-N 425.508 2.471 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(OC)CCOC1 1690100053 VUHJCJGGOXHNMG-QHCPKHFHSA-N 436.516 2.022 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OCC)CCCC2)CC1 1690113570 NJRJJLHOUVNCBJ-HSZRJFAPSA-N 431.581 2.035 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1690120575 ZKDQDZPVFCXCIW-UHFFFAOYSA-N 432.532 2.111 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690126032 SDQXJFIOKRREEP-TZIWHRDSSA-N 443.979 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1690136211 BIGZVHPWOHJAEE-QHCPKHFHSA-N 427.524 2.414 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCCOC)CC1 1690228135 OCOYUOFUCVQBBB-OAHLLOKOSA-N 442.358 2.160 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690247698 DPJRYEZPZLUXLT-XLIONFOSSA-N 439.626 2.318 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOCCOC)CC1 1690372228 FPVBQKSKGZEKBD-UHFFFAOYSA-N 448.593 2.448 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN(C)CC(F)(F)F)C1 1690696359 ASZQUCSKACVTDK-HNNXBMFYSA-N 425.459 2.401 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 1695900092 IUUPUPAYWOEOIC-PMACEKPBSA-N 437.592 2.458 30 10 IEEE CO[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)C1CC1 1697148496 LJCABDBGFNZFSV-GDBMZVCRSA-N 435.326 2.200 30 10 IEEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1697733455 FKCNHLAVAMFKAX-QFBILLFUSA-N 426.521 2.148 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)N(C)C 1705474141 CWMJDUXFRUVWAL-OAHLLOKOSA-N 430.940 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1705480509 VZMYGIJZOUAUNJ-SBUREZEXSA-N 425.533 2.186 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705517060 NUAFCRUWLDJTFV-APWZRJJASA-N 432.546 2.463 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)C1CC1 1705628491 IKARLVKNABFCOE-SFTDATJTSA-N 442.585 2.460 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1CSC 1705697040 JKTMOYLRAVJJRD-HZMVEIRTSA-N 443.639 2.201 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705704236 RKZLPIRYHSUQLX-RCLSDMTESA-N 441.580 2.262 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705876263 SSHQTRQWZRSXMB-HXUWFJFHSA-N 436.965 2.250 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1705903079 PKYLEHBZQYPRLM-NSHDSACASA-N 441.376 2.405 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)cc1C 1707532149 DASUGUQJYVXYGD-OAHLLOKOSA-N 436.520 2.223 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1711799440 UCKSEBYIINWCLS-JQVVWYNYSA-N 429.496 2.054 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1722304301 YCJVXDWBBIBZPU-MSOLQXFVSA-N 434.585 2.386 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722365605 NBGQVJGSEPFCHN-LJQANCHMSA-N 441.582 2.309 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722367741 NWXIOBWHFOHCFO-HXUWFJFHSA-N 443.573 2.110 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1722381341 ONRFSKCHZACVGC-FCHUYYIVSA-N 430.556 2.213 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCOC[C@@H]2OC)n1 1722426781 BOIYAHKZDSNMIC-ICSRJNTNSA-N 444.580 2.110 30 10 IEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722454155 JAXMQTSCZPMKCS-QGZVFWFLSA-N 441.582 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1722475967 KAWCWLUEUAWIIS-XMMPIXPASA-N 434.544 2.443 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722589103 KQSLEYIHCPZQOH-KRWDZBQOSA-N 437.610 2.406 30 10 IEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1722604807 LENKYCYTTCMEFV-SJORKVTESA-N 448.568 2.254 30 10 IEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722621226 PBFRMTCWOGJPPS-KRWDZBQOSA-N 449.577 2.302 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722701862 GUZWUJCATURFFJ-OAHLLOKOSA-N 425.459 2.221 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CO)CC2)cc1 1722704526 JPQYVMCIHVCWKK-LJQANCHMSA-N 446.573 2.002 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1722868550 LEBMGTOFJNPSEO-WDEREUQCSA-N 445.442 2.381 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CC(=O)N1C 1726672746 UCBFUISLIGALNL-QGZVFWFLSA-N 430.516 2.381 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1729750777 SDCJDNKJUQHRCM-GOSISDBHSA-N 429.546 2.322 30 10 IEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1740576317 UOCHYFVPPJIIDY-SFHVURJKSA-N 444.580 2.475 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 1740599847 FGGPUXDTPVBJAI-LJQANCHMSA-N 439.438 2.384 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS1 1740629932 BMYRZEIJZVPCGS-SFHVURJKSA-N 443.598 2.164 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1740672399 FLJZKUKISGVPRJ-UHFFFAOYSA-N 444.587 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1740705869 NLRNIVFAUDUQRQ-SFHVURJKSA-N 426.590 2.486 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1740744921 IDAFOENAPHRYPE-GFCCVEGCSA-N 446.396 2.490 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CN(C)C1=O 1740914513 GHLFGLCIYVAMPD-HSZRJFAPSA-N 430.516 2.221 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CO)CC2)cc1 1740967832 ROVOXXUOMDLOMJ-UHFFFAOYSA-N 425.533 2.222 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCN(C)CC2)C1 1740983125 BOPNGOFNGOPBJW-SFHVURJKSA-N 448.637 2.009 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1741002279 KPOZCLZCJCRQJG-UHFFFAOYSA-N 433.553 2.222 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)CCO1 1741109324 OBHFQARAYCMOSG-OAQYLSRUSA-N 434.500 2.032 30 10 IEEE CC(=O)NCCCn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1741121265 TZZSVVHWPCAHOV-HSZRJFAPSA-N 440.548 2.353 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC1CCCCC1 1741132525 ZPGAJUVWTZAQKH-OAHLLOKOSA-N 441.536 2.441 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1746433519 DTZIOQQPPVBYMU-LJQANCHMSA-N 437.592 2.051 30 10 IEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1748731301 ZVZCNEZYDCQKCV-SJORKVTESA-N 430.553 2.465 30 10 IEEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1748793693 NGTIFTDHDHYSDD-HSZRJFAPSA-N 430.556 2.338 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)C1CCC1 1748896885 NNKLFDDKMLXCBY-UHFFFAOYSA-N 443.555 2.286 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1748907678 YTWLUZROUSJEDB-UHFFFAOYSA-N 442.608 2.397 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN2CCC)CC1 1749016356 BSONJXSVFGCBCE-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749044744 TUIDXKNHUNKPIV-HKUYNNGSSA-N 440.573 2.123 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749268636 DPCSDXMKFMMSGG-GOEBONIOSA-N 428.002 2.243 30 10 IEEE C=CCCOCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1749460913 JAHGUSODQYODPJ-PWHSHALESA-N 447.580 2.159 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1Cc1nncn1C 1749805874 AZYCBQGLNATVRQ-UHFFFAOYSA-N 443.515 2.350 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1750216312 PEBQXOJSPNDAOA-IEBWSBKVSA-N 444.561 2.047 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752726055 HQVYWKVQOGORBV-FMZSFSCUSA-N 428.537 2.325 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760142552 GKHNCNGSESPQPF-NZQKXSOJSA-N 431.581 2.475 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1760145369 NSSICNCALNXVMI-CRAIPNDOSA-N 435.525 2.019 30 10 IEEE C#CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159921 SOEMCTCVVUGOGD-DEOSSOPVSA-N 449.559 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cccs1 1760198835 JUVHPXVLDZHKAI-UHFFFAOYSA-N 433.493 2.238 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1760235530 PPXYLNMXSWRANI-VGOFRKELSA-N 435.569 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCC(C)CC2)CC1 1760267993 JFPTXZWNJODQLV-UHFFFAOYSA-N 435.576 2.038 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)n(C)c2=O)CC1 1760407840 RCZPEZGLVNGNNJ-PMACEKPBSA-N 427.549 2.460 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1760441976 BAQKPKREPLGEKM-OAQYLSRUSA-N 438.576 2.222 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760445266 FGMYVRHWLLQLPX-IBGZPJMESA-N 427.553 2.453 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1760450135 FALARCHJOCBZIW-DLBZAZTESA-N 428.624 2.351 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCCn1cnnn1 1760479518 RXASRXIMHNIKAH-UHFFFAOYSA-N 428.504 2.425 30 10 IEEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1761316401 DXSIOUQRMLPALA-HXUWFJFHSA-N 438.532 2.389 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1761322388 OPOXVPACYIINIR-QFIPXVFZSA-N 427.505 2.149 30 10 IEEE CC[C@H](C)c1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761843308 MWHHJWAZTWHVJU-UFVMTTLYSA-N 429.569 2.239 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCCSC2)cc1 1770737985 ASHBOBPWDZOSCZ-SJORKVTESA-N 426.546 2.184 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3cccc(C#N)c3)CC2)c1 1848723627 AZXIKZOJKSAFNZ-QFIPXVFZSA-N 438.553 2.369 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCC(C#N)CC4)CC3)CC2=O)c(OC)c1 1850718774 UIRDBANRWFFCEX-SFHVURJKSA-N 440.544 2.283 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1ccccc1 1852817563 DOIGBNHTBAQXAI-MOPGFXCFSA-N 428.558 2.336 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)C(=O)C2 1852961397 NDAHKAGRCBARNJ-UHFFFAOYSA-N 427.457 2.214 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1855266375 VXNXGSTXHMMGBB-CQSZACIVSA-N 439.921 2.038 30 10 IEEE C=CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)C1 1855562504 BRZFWVBPNFXVOY-AWEZNQCLSA-N 445.994 2.192 30 10 IEEE CC(C)N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C(=O)C1 1856308482 OHOZZOWLHJPYTL-RTWAWAEBSA-N 428.558 2.031 30 10 IEEE C=CCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1858033323 MPUCBXAKOXEFJA-UHFFFAOYSA-N 431.514 2.009 30 10 IEEE Cc1ccc(S(C)(=O)=O)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 1860835949 LIDUQOUOXQKRCJ-QGZVFWFLSA-N 429.523 2.424 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862609878 XCAPEPWTJCHXCO-FKIZINRSSA-N 441.436 2.131 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CCC)nn2CC 1865222043 BEQJMCTYIUBWEB-LJQANCHMSA-N 438.528 2.318 30 10 IEEE COc1ccc(CCN2C(=O)c3ccc(C(=O)N=C4CCN(C)C(=O)N4)cc3C2=O)cc1 1865884514 JMVOIXJPPULJRC-UHFFFAOYSA-N 434.452 2.118 30 10 IEEE Cc1ccccc1Cn1nnc2c(=O)n(CC(=O)Nc3sc4c(c3C#N)CCC4)cnc21 1870103417 DYSHEHXRMPCNRY-UHFFFAOYSA-N 445.508 2.405 30 10 IEEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870143977 JMPIGXPFZLXKLM-UHFFFAOYSA-N 440.341 2.392 30 10 IEEE CC(=O)NCCNC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1873850132 HKOPMQQCFUNJDS-JJFYIABZSA-N 433.464 2.426 30 10 IEEE O=[N+]([O-])c1cc(/C=N/n2c(CCOc3ccccc3)nnc2SCCO)ccc1O 1874348270 FTLHVHYSIUEYDB-DEDYPNTBSA-N 429.458 2.480 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)CC1 1889405400 IIXPGMQISQWJKX-UHFFFAOYSA-N 439.478 2.457 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3csc(-c4ccncc4)n3)CC2)CC1 1889441024 DHQHWIJPLPRIAJ-UHFFFAOYSA-N 439.585 2.077 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OCC(C)C)nc3)CC2)CC1 1890143991 LNOMYYUFPDLXOY-UHFFFAOYSA-N 442.604 2.379 30 10 IEEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC#CCN(C(C)C)C(C)C)n2)cc1OC 1890937511 FDTDNGBFXMSHIQ-UHFFFAOYSA-N 440.544 2.166 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)C1 1891416495 YMZYFTQMWCNVOX-GOSISDBHSA-N 428.514 2.113 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1993339568 OLHKJDIJDZQEFL-HZPDHXFCSA-N 425.526 2.158 30 10 IEEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)C1CCN(C(=O)OC(C)(C)C)CC1 2022880522 QORLAYBDZCKMPS-DOTOQJQBSA-N 439.553 2.122 30 10 IEEE C[C@@H](C#N)N1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2060821657 LNOAGFLCGOSNIB-CYFREDJKSA-N 441.576 2.212 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@]3(C)[C@]2(C(=O)CO)O1 2080358553 OHJDQDXOWURJBR-SANKJAEJSA-N 432.488 2.483 30 10 IEEE CNc1nc[nH]c(=NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1C#N 2084720832 BYONUBVXPOHIIA-GOSISDBHSA-N 437.548 2.345 30 10 IEEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2255594904 FWQAEOPXNQBCNU-ZWKOTPCHSA-N 427.354 2.105 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)oc1B1OC(C)(C)C(C)(C)O1 2255622946 HJMDIJZOFOMLAP-FOLVSLTJSA-N 432.326 2.482 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2255628719 LVPNTMCPHQBWTI-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632673 PRIHEBHTYMYMQT-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255648722 FDDYRYKVZHTFLV-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255945089 QDJLEONZWMGIGY-CVEARBPZSA-N 432.326 2.477 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929193 NWDRQQARDKFDCO-HIFRSBDPSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2259920262 ICVDJOMTVYAGKH-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014119 UCPRDUAKPRBNHR-GXTWGEPZSA-N 444.259 2.498 30 10 IEEE CCc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267147261 QDVVAESTZPGGJO-CQSZACIVSA-N 448.373 2.021 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2267149371 LMCORQJSSVMTON-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)co2)OC1(C)C 2267490458 ONOXKZHZMFQTIZ-UHFFFAOYSA-N 439.365 2.126 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267499537 VHILXMZLVZSSJK-LJQANCHMSA-N 438.381 2.313 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](C)CN1Cc1ccccc1 2267503081 XOZFILQEVBJSNZ-ROUUACIJSA-N 438.381 2.454 30 10 IEEE Cc1ccnc(C(=O)N(C)C[C@H](O)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267511053 WIKRDEQKMVJALQ-IBGZPJMESA-N 440.349 2.339 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268664581 WHPRDZJWGRVMAM-UHFFFAOYSA-N 443.313 2.136 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1F 2296623258 XSPBPGBDYAWMLU-FQEVSTJZSA-N 442.491 2.310 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1cc(Br)cc(F)c1C#N 2333599639 JHULKHODMYLXIN-KFWWJZLASA-N 430.274 2.213 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(F)cc3)n2N)cn1 20921727 JFGALEIIHQGJQS-ZVBGSRNCSA-N 431.501 2.475 30 10 IEEE C=CCN1CCN(c2ccc3nnc(CCc4nc(-c5ccc(F)cc5)no4)n3n2)CC1 33279887 NKXIHAKTULETIB-UHFFFAOYSA-N 434.479 2.407 30 10 IEEE C=CCN1CCN(Cc2nc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)no2)CC1 65235813 RLFRJCNVMDYKPE-UHFFFAOYSA-N 445.527 2.206 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 434945268 BNBNFYITBIFORO-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE CN(CCN1CCN(c2ccccc2)CC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 462090689 WQBPCKLPOZOPKW-UHFFFAOYSA-N 430.516 2.425 30 10 IEEE CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 499484264 IDMUOQULTYJGFN-OAQYLSRUSA-N 446.529 2.019 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1OC 503001444 QTCMJLUXGVANMO-QHCPKHFHSA-N 445.516 2.250 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(C(=O)OC)c(C3CC3)n2)c1 503785294 GFBYLIFYTJAHTB-UHFFFAOYSA-N 429.498 2.140 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 505800508 CNGKOADPWQXUNW-UHFFFAOYSA-N 425.445 2.291 30 10 IEEE Cn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508047913 PIFMZPOAFPUVFH-UHFFFAOYSA-N 426.477 2.004 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(CCNC(=O)c2ccccc2F)CC1 508920295 JHHYNCQMOSCREK-UHFFFAOYSA-N 449.534 2.141 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 522308094 XQOOTADKHVAUHQ-UHFFFAOYSA-N 427.480 2.142 30 10 IEEE Cn1ccnc1CN1CCC(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 530641129 MVIZBYROELALFT-UHFFFAOYSA-N 446.559 2.021 30 10 IEEE C=CCOc1ccccc1CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 544927377 FALCDODGAUJFPK-INIZCTEOSA-N 430.482 2.167 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 552815234 IOMFVJRRQWECAB-UHFFFAOYSA-N 427.530 2.104 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)cc1F 561496823 ZSXQTAIVABZWMI-UHFFFAOYSA-N 433.508 2.187 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 609576224 LZVHYEYCPVLXBQ-SFHVURJKSA-N 432.433 2.075 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c1 615228930 ZGLRQLJWIOKLKI-CALCHBBNSA-N 444.557 2.090 30 10 IEEE CSCC[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 619104056 GHEKRPGHDIHWMC-IBGZPJMESA-N 449.536 2.020 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CC[C@H](C)[C@H](F)C1 669804802 FQXXOURIEZIJAB-QFBILLFUSA-N 449.552 2.336 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4ncccc4C3)nnc12 676827798 NHOMIXNSAUEVTE-UHFFFAOYSA-N 432.509 2.302 30 10 IEEE COc1cc(Br)c(S(=O)(=O)NCB2OC(C)(C)C(C)(C)O2)cc1OC 702459780 KCQWHXAPDIJIEF-UHFFFAOYSA-N 436.133 2.376 30 10 IEEE Cc1c(Br)c2ccccc2n1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 731862739 KXNYAJYIDXHZJC-VHEBQXMUSA-N 431.290 2.355 30 10 IEEE C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732152786 ARPBDLPTDSNTHF-JHGXHUTESA-N 426.517 2.196 30 10 IEEE Cc1cc(N2C[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)ccc1Br 732650709 CKAZPKGVNVCZRP-PBHICJAKSA-N 431.334 2.309 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CSc1nnc(-c2cccs2)n1C 734293487 XJFSWCLNSRYDAU-UHFFFAOYSA-N 433.540 2.321 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(C#N)cc1 740216970 ZZYPEFASDIITDZ-UYAOXDASSA-N 442.493 2.416 30 10 IEEE C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 741656460 CHUWJYOLCXYALS-ZDUSSCGKSA-N 432.429 2.076 30 10 IEEE COc1ccc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1C#N 747432140 NOBNGVDGQJDPEM-UHFFFAOYSA-N 429.458 2.204 30 10 IEEE CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2)c1=O 748785458 LCCZRTNPEDGLAX-UHFFFAOYSA-N 436.424 2.372 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCO)C(=O)O 757335600 ZXCKLEPWXSTUKC-SFTDATJTSA-N 438.480 2.422 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCN(c2ccccc2)C1=O 758751109 IHAHCRRCHMIFDP-NXHRZFHOSA-N 427.505 2.192 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)cn1 769665400 BGHJDFQXUPLEDA-UHFFFAOYSA-N 427.232 2.279 30 10 IEEE C=CCOC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 773995866 HBFIWEWCPNANPT-UHFFFAOYSA-N 444.937 2.081 30 10 IEEE CC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Br 775685938 AOHBUVWBOFEVRX-UHFFFAOYSA-N 449.330 2.429 30 10 IEEE Cn1ncc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)n1 789401662 KEJWQRYHYBYRHG-UHFFFAOYSA-O 435.533 2.488 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 812182186 DMIPOVROJYYUTE-WMZOPIPTSA-N 426.521 2.371 30 10 IEEE C[C@@H]1CN(c2ccc(C/N=C3/NC[C@@H]4CN(C(=O)OC(C)(C)C)CCN34)cn2)C[C@@H](C)O1 849087240 PLWWZNJHQPZWEN-ZHALLVOQSA-N 444.580 2.076 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)C(C)C 925932882 QVFBKNHWDAHPPI-DYESRHJHSA-N 447.513 2.125 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 1084464327 CZBQXZWRPZJTRU-UHFFFAOYSA-N 448.940 2.441 30 10 IEEE N#CC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCCCC1 1131110893 MEJYLRHOUIFRQO-INIZCTEOSA-N 431.514 2.214 30 10 IEEE COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3ccc(Br)cc3C#N)C2=O)c1 1139685449 ZXLKTEKHSGELIX-LJQANCHMSA-N 443.257 2.441 30 10 IEEE CS(=O)(=O)C1CCC(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 1141570021 XVYZJAVLNISOSH-UHFFFAOYSA-N 447.536 2.117 30 10 IEEE Cc1[nH]nc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1C#N 1147690473 ACXNXIQPVVAMRN-LJQANCHMSA-N 439.472 2.483 30 10 IEEE CCN(CCS(C)(=O)=O)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1151238325 ZBFFQOPLLPSDLI-SFHVURJKSA-N 435.546 2.286 30 10 IEEE COc1ncc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C#N 1177480913 YPPJGUPCABFYMV-UHFFFAOYSA-N 427.486 2.199 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CCO2)cc1 1179404142 AFSINXBALFHURO-LJQANCHMSA-N 435.452 2.105 30 10 IEEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1230534146 BYXUTBMHCWXOGH-HXUWFJFHSA-N 437.466 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1286297238 VBTNHFUDBYDDLP-ZWKOTPCHSA-N 443.552 2.331 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286396956 ZBNBHXLGMIHJRS-GCJKJVERSA-N 446.548 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)on1 1286409934 UIXTZZCGIXKNEI-UHFFFAOYSA-N 427.468 2.092 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCC[C@H]2C)CC1 1286473716 RPASAMFXSBDKEU-MRXNPFEDSA-N 446.397 2.275 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(N)=O)CC1 1286498602 AJPDIUYCZBKDOU-UHFFFAOYSA-N 441.557 2.175 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1286512266 UHIJYUPWUSQDCT-IRXDYDNUSA-N 445.614 2.499 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286537489 DFJONEQFJLGQQL-KGLIPLIRSA-N 439.358 2.023 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1286644308 RFATWOWWMISARQ-UHFFFAOYSA-N 426.546 2.428 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O)c1ccccc1 1286678797 DXESWLFEOMCCHN-QRQLOZEOSA-N 445.589 2.240 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)C1 1286814064 JGTNJHIYCNZDJO-IRXDYDNUSA-N 448.568 2.220 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286819370 IJZBZKSMDAQRDX-UHFFFAOYSA-N 449.621 2.375 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)cc1 1289827391 GYPIRDKBXWOHNI-DENIHFKCSA-N 442.589 2.332 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1291540401 QPNFIGCCQVJJGU-HZPDHXFCSA-N 432.550 2.309 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C(=O)OC)c2ccc(C)cc2)s1 1293153445 HBSZFMNCWYFKMM-QGZVFWFLSA-N 436.555 2.136 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1293718916 BCXLPASOGDBADD-OSJSJHBBSA-N 444.561 2.165 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298309476 NCZCVHSFTGZIPL-HNNXBMFYSA-N 429.477 2.469 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)OC)c1 1300330486 AXYLUQCIHQJXDE-UZUQRXQVSA-N 441.532 2.021 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC=CCC2)n1 1300681303 MCBHAZJPWZWNGG-QUCCMNQESA-N 437.548 2.068 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN(C)CCOC)CC1 1300690105 BHKSQHWMIZDSSV-UHFFFAOYSA-N 434.947 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCc2c[nH]nc2C)CC1 1300725618 IRHJDLLIAXFGEF-UHFFFAOYSA-N 425.581 2.497 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)N(C)C)CC1 1301071118 XMZQDEKWZZSRBQ-UHFFFAOYSA-N 443.371 2.084 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCOCC1)C1CC1 1301312594 ILPWFTQOVIOTSO-KRWDZBQOSA-N 425.537 2.049 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC=C)C1 1301543112 VVJVWTZYVCPDRY-LJQANCHMSA-N 427.530 2.199 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1302446746 SAULGZBCYACFOJ-QGZVFWFLSA-N 435.532 2.328 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(Cl)s1 1303835586 BWAQEJUTOGYFHZ-ZBEGNZNMSA-N 446.961 2.288 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C[C@H](C)O1 1306403142 DFYKMMMFCFFENI-QFBILLFUSA-N 446.577 2.148 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)cc1 1315426065 DQWBGCMQOJYORZ-KRWDZBQOSA-N 428.493 2.207 30 10 IEEE COCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316018968 MJCYQMACYLDAPG-GOSISDBHSA-N 447.547 2.067 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCC(=O)N1 1316213700 DWXAHFNGLYOIQF-AFYVEPGGSA-N 438.532 2.024 30 10 IEEE CCOC(=O)C1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCCC1 1354808404 QMPAJXJSYDHKRO-KRWDZBQOSA-N 426.473 2.145 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1358966024 GLKCFJYRXRGFGP-NRFANRHFSA-N 440.569 2.037 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCNc1ccc(C(F)(F)F)cn1 1358968572 QUJNNOXDLJZLKA-UHFFFAOYSA-N 447.465 2.405 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCC1 1359025188 GGMRGZHKQBHDOZ-HXUWFJFHSA-N 425.533 2.361 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359054478 XCTOAFFFOLITFL-UHFFFAOYSA-N 435.557 2.065 30 10 IEEE C=C(Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1359139909 HZMSQEHLHMBVSF-UHFFFAOYSA-N 436.560 2.117 30 10 IEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1359151652 YGJFQILGHDURRL-UONOGXRCSA-N 442.948 2.039 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2cc(CO)nn2)CC1 1359162573 VXWQPXDGULPPNT-UHFFFAOYSA-N 439.520 2.293 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359188951 XNBCIDOGVKPGBK-MOPGFXCFSA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C)s1 1359304092 LAAWHYYALMKWSU-UHFFFAOYSA-N 437.529 2.432 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H]2COCCO2)CCOC1 1360340753 FKZSSHCYYJZOTK-STZQEDGTSA-N 433.553 2.254 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](C(=O)OC)(c3ccccc3)C2)s1 1450284734 TUHNQUJSRQWGPT-NRFANRHFSA-N 448.566 2.098 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(COCCO)cc1 1451931468 ZJQSZTIEWSIABX-IBGZPJMESA-N 445.541 2.432 30 10 IEEE O=C(NCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccn1 1458025563 LVVZCJVQQKYQDI-IUCAKERBSA-N 431.283 2.441 30 10 IEEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3ccc(C)s3)nc3ccccc23)CC1 1472863537 RMMGEDDLYZFKGH-UHFFFAOYSA-N 427.555 2.256 30 10 IEEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Br)cc(Br)c1 1475127475 AXTYXKMECWEEOO-UHFFFAOYSA-N 447.170 2.091 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1476412682 GELSPXKGGPKCNA-STQMWFEESA-N 446.451 2.295 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1494571374 QQBDCCXZRNIWJA-LPHOPBHVSA-N 446.502 2.398 30 10 IEEE CCc1nc(C)c(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)o1 1498263126 SACUZPVUOGQWGD-FUHWJXTLSA-N 443.552 2.086 30 10 IEEE CCOC1CC(O)(Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](F)(C#N)C2)C1 1502963359 FDAOSGNSBMEFLQ-LPBNZCGVSA-N 429.496 2.249 30 10 IEEE COc1ccc(COCCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504284577 GOFDEOLNUAPUKP-VQTJNVASSA-N 427.505 2.474 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)o1 1505318067 ZBKHDKNZNBUPCK-GFCCVEGCSA-N 433.394 2.291 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)CN1CCOCC1 1507522718 XRSGRXNCGQRQTD-MSOLQXFVSA-N 427.549 2.389 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1507577002 YIINSBAKQPNKJO-AZUAARDMSA-N 444.605 2.407 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507599605 RPIQWWZGVWSJFX-UWJYYQICSA-N 430.509 2.001 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1507672943 JRULNHCUUZYABB-JOCHJYFZSA-N 432.572 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1nnc2n1CCCCC2 1507709549 YLSODWPMCPDUJY-UHFFFAOYSA-N 435.532 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(N(C)C)CCCC2)CC1 1507737613 ARPYDKRWHGLEFN-FQEVSTJZSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507752865 ALUIUPGSFOGRTG-UHFFFAOYSA-N 430.622 2.047 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1507764388 LSPXSCHRQQCTSU-LAUBAEHRSA-N 436.626 2.145 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1507962318 QDQJDBKJVLVSTG-QGZVFWFLSA-N 437.504 2.107 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1508003795 DSCJLDIOGVQVLM-DENIHFKCSA-N 446.573 2.178 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCO2)C1 1508114380 ABQAIXVJQKVIRB-MSOLQXFVSA-N 432.546 2.309 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CCC1 1509004887 TWTXFFDJIWKCAX-PMERELPUSA-N 427.578 2.296 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1509939946 PCQIHGPIMAYNRP-XIKOKIGWSA-N 434.342 2.263 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1510283043 AZYDLGBATVFIOC-FDDCHVKYSA-N 435.532 2.066 30 10 IEEE Cc1nccnc1CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1511625968 BXNSKWXEMXWWKZ-OAHLLOKOSA-N 443.515 2.129 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1514278022 TZVXKAOWIUQVMB-XMSQKQJNSA-N 425.537 2.274 30 10 IEEE C=CCOc1ccc(COC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1 1515008122 WOZWTHFZDJCRQB-UHFFFAOYSA-N 438.523 2.427 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](F)COC)c2ccccc2c1=O 1515949662 RWQWTTWBWXASIT-LHSJRXKWSA-N 443.458 2.101 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccnc2OCC(F)F)cn1 1517367095 BADOFSNKIIURSL-IBGZPJMESA-N 432.410 2.208 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3cnn(CCC#N)c3C)CC2)cc1 1530288163 RXSMOIBZGVEXTB-UHFFFAOYSA-N 429.546 2.298 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1535243644 YBZSSPONDHXPLX-MZNJEOGPSA-N 437.544 2.344 30 10 IEEE CN(C)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(C(F)(F)F)c1 1538290905 WJWVFEORBMNCIZ-UHFFFAOYSA-N 426.420 2.449 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1539072873 XRBRUXFCELXJPK-OAQYLSRUSA-N 425.581 2.421 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@]2(O)CCC[C@H]2C)n1 1539423756 FMESXBCYHHZXOB-NTKDMRAZSA-N 449.559 2.374 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)CCC)CC1 1539474202 LIJZMUZHKHHRJN-DEOSSOPVSA-N 439.560 2.471 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539526115 JMRTWLXPEDOBIC-IBGZPJMESA-N 443.621 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 1540736918 AIGFROCZCMDRLY-UHFFFAOYSA-N 443.504 2.289 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1540867598 ATXPHFMMZUTGSN-MRXNPFEDSA-N 437.479 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](C2CCOCC2)C1 1540901081 RXNOGSGBXCVTJN-GOSISDBHSA-N 433.578 2.137 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1540907789 IOLOZRHUQDDCPF-UHFFFAOYSA-N 442.589 2.298 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)c2ccccc2)C1 1541989219 ICMRIILWARRLPI-NRFANRHFSA-N 437.529 2.339 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2nc(N(C)C)no2)cc1 1542161910 VUCVTHNUMFDQDN-ULJHMMPZSA-N 448.549 2.300 30 10 IEEE COCC1(C)CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555285725 FNDRXKPPMZDORD-CZIZESTLSA-N 439.520 2.053 30 10 IEEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C#N)CC2)C1 1555808594 COYDUZXASFRFHR-KRWDZBQOSA-N 446.552 2.029 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 1558401103 PQULJYFCSJYTRZ-AUUYWEPGSA-N 426.498 2.205 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 1586755018 WCLSLPUMTMNDOC-INIZCTEOSA-N 433.553 2.318 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1587620660 JBFWPZYKFPGSGP-INIZCTEOSA-N 435.532 2.163 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OC 1587620931 NBVIUCIQKOSBGU-OAHLLOKOSA-N 429.484 2.102 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1587904203 BEVASMKGTDEADR-HNNXBMFYSA-N 427.509 2.156 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589078524 QVTSDLUDCQIFLJ-UHFFFAOYSA-N 447.630 2.062 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@H]2C1 1589317267 MABJVYRAAARQRD-MRXNPFEDSA-N 449.309 2.283 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)CC1 1589558512 LFQYXOLHUYVYEX-RBBKRZOGSA-N 426.565 2.014 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1594720209 FUYHCHNJRZEBLD-UHFFFAOYSA-N 435.532 2.250 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnn(C)c1C 1595490121 NDXRCLGDKHQAGM-UHFFFAOYSA-N 445.531 2.316 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1595715054 RKHOFZSJBGRVRN-IBGZPJMESA-N 433.516 2.267 30 10 IEEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1603038889 KIESFPBJTQGEAX-QKVFXAPYSA-N 429.546 2.223 30 10 IEEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)CC1 1608059848 GJVASRYFSPJCMZ-UHFFFAOYSA-N 438.576 2.261 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)CCO2)cc1 1611504501 NKYVTCHGRASBJW-OAQYLSRUSA-N 440.521 2.481 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1614301136 CCRFQNXDJCMEFW-FQEVSTJZSA-N 447.547 2.384 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCCCN1CCOCC1 1617868959 MGILLMFYWPVVBY-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(C)(C)S(=O)(=O)CC3)C2)C1 1618760210 ZIFVBXHLOIHHSL-ZGOJQLDESA-N 439.578 2.199 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1618866292 GZONUKRJLBSCJI-UXHICEINSA-N 439.516 2.258 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 1621739129 LGCGUTUUQUTFSY-UHFFFAOYSA-N 444.987 2.468 30 10 IEEE CN1CCCC[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1627459280 RTJXJFFVUBWPAJ-ZWKOTPCHSA-N 433.350 2.416 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 1630569363 IWFQECHPINQYBO-MRXNPFEDSA-N 437.338 2.492 30 10 IEEE C=CCN(C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)[C@H](C)COC 1632751529 DAVJVPXFJVLYDC-OAHLLOKOSA-N 434.562 2.119 30 10 IEEE CCOC(=O)N1CCC([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1633621914 PLRCAZSDUJLXCG-ZDUSSCGKSA-N 425.482 2.110 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)cc1 1636584293 YTWXZODQYZPWPE-AWEZNQCLSA-N 426.498 2.062 30 10 IEEE C#C[C@H]1COCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1637715100 FDAMUIMLZIOABQ-DGGJZMOXSA-N 434.492 2.135 30 10 IEEE C#CCC1(O)CCN(C(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 1638237969 NWINHSFCGIMDNB-UHFFFAOYSA-N 436.597 2.269 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c1C 1643808237 UGJMKWNRBXPAKL-NVXWUHKLSA-N 431.480 2.457 30 10 IEEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1647997949 HILFVJXJXIIMPU-FQEVSTJZSA-N 442.497 2.102 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)c1 1651014301 AUEGCUNNDCJHQC-OAQYLSRUSA-N 434.489 2.194 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)[C@H]2CC2CCCCC2)CC1 1653926962 CYMLMRLKIIGIDC-UXHICEINSA-N 443.617 2.228 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCC(N3CCCS3(=O)=O)CC2)ccc1Cl 1654716453 FYPWYJZUMHDNCU-UHFFFAOYSA-N 438.981 2.395 30 10 IEEE Cc1ccnc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 1670320334 GTIYYGHGJKUHCF-UHFFFAOYSA-N 441.282 2.423 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1680778555 GXGCSJLCADXLQM-MBSDFSHPSA-N 426.517 2.422 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 1683469249 RHTONCKJHSEKOS-UHFFFAOYSA-N 427.549 2.454 30 10 IEEE CS(C)(=O)=NC(=O)CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1684406790 XQJLWONRGRDFLM-BQBZGAKWSA-N 445.332 2.053 30 10 IEEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1686055648 LXXCUYJOBPGIFR-REWJHTLYSA-N 448.442 2.128 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)C2)nc1 1686257480 QUCVOOHMYIPSSD-WOJBJXKFSA-N 448.527 2.219 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1)C1CCOCC1 1687125935 CIADZEGCLDFNDT-CRAIPNDOSA-N 439.350 2.336 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1689992443 KYJUXVYNIIUBCQ-IBGZPJMESA-N 427.574 2.493 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1689996903 QVNXPQGTMVVALD-QILLFSRXSA-N 436.484 2.153 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cnn(-c2ccccc2)c1 1690052544 KMSJDUWMGUIMKJ-UHFFFAOYSA-N 427.512 2.097 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690102635 QTGUJIBZSJZURH-UHFFFAOYSA-N 433.553 2.315 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2F)C1 1690171276 YUDTXSWXLYVHOD-ROUUACIJSA-N 429.521 2.313 30 10 IEEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690539598 FWJGUZAMXACHOA-HNNXBMFYSA-N 446.533 2.290 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1690742422 QDRGKEAGLISVPY-ZDUSSCGKSA-N 445.574 2.495 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690971746 ZYTFGFJJRMXNSJ-LJQANCHMSA-N 448.531 2.494 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(C)CC(F)(F)F 1705545207 SNZPPXWEEAAXID-UHFFFAOYSA-N 443.495 2.302 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)ccc1OC(F)F 1705582945 NINSRMVPZWUOEL-MRXNPFEDSA-N 448.495 2.211 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@H]2CCOC2)CC1 1705643135 SZPCNIDFOJEDOM-FQEVSTJZSA-N 439.560 2.438 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 1705655637 OQRBFQSIDVZTPT-UHFFFAOYSA-N 444.586 2.085 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1705665062 JHIXFEAYWXADMZ-GHTZIAJQSA-N 432.546 2.468 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705667456 LZZOZUHDPUNVJX-OAHLLOKOSA-N 445.511 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1705698355 SKDODKSOMOCQHE-QRFRQXIXSA-N 445.568 2.370 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1 1705729496 ZXWLWMZRZQQNBZ-INIZCTEOSA-N 432.550 2.141 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1705735666 CNBTVJVIDIYJKA-UHFFFAOYSA-N 426.550 2.419 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705737482 SHEFBJLHIYLSSJ-INIZCTEOSA-N 431.497 2.321 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705754858 HBRHOGAQXIOVTR-ULQDDVLXSA-N 444.001 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705898532 OQTATANSQNPREQ-QFBILLFUSA-N 435.536 2.238 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705909414 WWPQRRWGCTVNSR-LNLFQRSKSA-N 435.569 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1705929749 WXNFEYWMPDRMHW-PCCBWWKXSA-N 439.516 2.050 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCCO1 1706073837 RGKVPYVGPPDPEY-HZPDHXFCSA-N 430.509 2.187 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1706081973 IMPISQWMRIMHFQ-ZWKOTPCHSA-N 442.589 2.336 30 10 IEEE CC(C)NC(=O)Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1706648646 PMMZWMLNBHJZFG-HRCADAONSA-N 433.557 2.312 30 10 IEEE CN(C)CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1711013944 HHEWTLVGSQETDZ-RTWAWAEBSA-N 440.548 2.237 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1712510955 USTCOFQOMZHHGQ-HRAATJIYSA-N 431.562 2.378 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(SC)CCOCC1 1712530066 GJOUDSNXVBMDSU-YJBOKZPZSA-N 427.546 2.356 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1722335184 CENCLSZVWRPSHE-QGZVFWFLSA-N 425.489 2.024 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(CC)S(C)(=O)=O 1722348128 RWAOAQIKVRUCJZ-UHFFFAOYSA-N 427.933 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722401556 CJINLCLSVJMCEM-OAQYLSRUSA-N 435.528 2.443 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1722677321 ZXABVPWBQFKQKO-SFHVURJKSA-N 444.561 2.213 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1722700423 JEHWLYBRDWRLMM-HSZRJFAPSA-N 425.533 2.187 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)O[C@@H](C)C2)cc1 1722704083 BRZFIOJFUGFKAY-JENIJYKNSA-N 446.573 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(C)ccc1F 1722727895 PDLYVBHRAJIHRC-UHFFFAOYSA-N 432.525 2.363 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCOCC1 1723167620 KZOQGWGYOHUJPD-UHFFFAOYSA-N 425.537 2.047 30 10 IEEE CN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1729529657 UMDNYZDRLWRMCS-LJQANCHMSA-N 425.493 2.456 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCN(C)C)cc1 1740609600 QEOAUHDYMVFEHB-UHFFFAOYSA-N 436.516 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cn(C2COC2)nn1 1740649461 VAAMKLNTMPZKAX-QFIPXVFZSA-N 429.528 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740658332 KGYQMNKOIWUCBX-LJQANCHMSA-N 447.509 2.487 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](CC(C)C)N(C)C)CC1 1740692727 LSPGJTIINLZLMR-FQEVSTJZSA-N 438.576 2.405 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2Cc2csc(COC)n2)CC1 1740694044 WKQIYOPMVOQTKJ-UHFFFAOYSA-N 426.521 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2cnn(C)c2)CC1 1740708057 AMMNGUMXJYDQJA-UHFFFAOYSA-N 445.571 2.201 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)NC(C)C)CC1 1740840904 NFXWSTTZNRSSTR-UHFFFAOYSA-N 438.623 2.364 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740868163 FTPFXTMFAZZHCN-KGLIPLIRSA-N 439.504 2.402 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2CC)C1 1740975575 WLPPEBRQTGYNEZ-AWEZNQCLSA-N 447.341 2.477 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCOCC(F)F 1741685439 SXUXKZMURSTLPU-SJORKVTESA-N 432.475 2.442 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748719095 SIHGRHNAEKOIDK-LJQANCHMSA-N 441.543 2.444 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1748937722 PWQZHMNJHDDNFD-UHFFFAOYSA-N 444.499 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCSC2)CC1 1749016751 NCADIBISVMJDCY-IBGZPJMESA-N 438.601 2.373 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1749354341 NXWDMIFOLUGBKI-ZOBUZTSGSA-N 425.599 2.494 30 10 IEEE C=CCCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1749407897 AKSDLMXEZWVRKL-JTAQYXEDSA-N 433.597 2.443 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1749427477 QTMZMPDMGGMFKM-HXUWFJFHSA-N 445.589 2.448 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(OC)C1 1749456306 AVXMFHKWVJTXNM-UHFFFAOYSA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749659143 VVYASQNNVYXZFC-SFHVURJKSA-N 445.589 2.168 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1749698522 BQSNQANKCMSQGD-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1750069327 GXQROJGJRBZAIF-WIYYLYMNSA-N 446.559 2.336 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCn2cncn2)c1 1750380921 CDVUAXMKINLYIU-UHFFFAOYSA-N 444.421 2.456 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760155934 OYXNSBQIDFPAJP-QFIPXVFZSA-N 428.558 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1760206905 QOJAEGYIAUCULO-UHFFFAOYSA-N 437.548 2.079 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)CCC)CC1 1760258042 FIUTWRKFRLISCV-HSZRJFAPSA-N 425.533 2.023 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(CC)c1 1760325581 RMDYBPVXNXMGQX-GHTZIAJQSA-N 427.553 2.235 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760334069 PDBCACFCBAWHAV-MJGOQNOKSA-N 445.593 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC)C1 1760558259 KOLDYOGDRIYKJZ-GOSISDBHSA-N 438.525 2.212 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1762063034 BTVDSSUCWWDNAK-HGHGUNKESA-N 431.562 2.108 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1762975854 BMPTYLSVIYQSIR-UDJKBAMHSA-N 436.520 2.134 30 10 IEEE CCc1nnc(N2CCC(OCCC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764838555 NFAIBWSMBNXYKH-QZQOTICOSA-N 430.553 2.398 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1766497116 BSGICZOXNYLMCW-CVDCTZTESA-N 441.532 2.397 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1768879732 JGGXGSSTSXYWNJ-SFHVURJKSA-N 431.562 2.240 30 10 IEEE COCCOCc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1770127164 BJWLEDDEKZEWCD-JOCHJYFZSA-N 437.479 2.388 30 10 IEEE CC(C)CN1C(=O)COC[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 1848885243 XPNCIAJENXGBRK-MAUKXSAKSA-N 430.574 2.252 30 10 IEEE N#Cc1ccc(-c2cccc(C(=O)NCCN3CCN(S(=O)(=O)C4CC4)CC3)c2)cc1 1852894333 JUTYAWQYHVFMEO-UHFFFAOYSA-N 438.553 2.065 30 10 IEEE COc1ccccc1-n1nnc(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)c1C 1853182167 UDHYBAHQEDBHQJ-UHFFFAOYSA-N 431.396 2.068 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CCC(=O)N3Cc3ccccc3Cl)CO2)nc1 1853303962 VGUWQOSZCXADNZ-FUHWJXTLSA-N 426.860 2.461 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C1=O 1854174279 CGRZWKADUBJWKE-ROUUACIJSA-N 431.920 2.149 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)C[C@H]3CCc4ccccc43)C(=O)O2)CC1 1856611132 AMVXXTCXUYUYAU-IEBWSBKVSA-N 431.514 2.019 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F 1862606385 PZTBCRLJELIFKN-HXUWFJFHSA-N 440.427 2.311 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc(Br)cc(OC)c1O 1864425898 WPUHUNLVHPLOOE-AWEZNQCLSA-N 449.305 2.202 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)sc2c1 1865922062 IZOPPWNOLRJDEZ-LBPRGKRZSA-N 436.559 2.346 30 10 IEEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN(CCOC)CCOC 1870505474 ZMRZMTKNMXXIAT-UHFFFAOYSA-N 449.592 2.299 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC3(CC2)C[C@@H]3C#N)cc1 1891765322 UCZRVHHXFVDDRB-XLIONFOSSA-N 444.557 2.340 30 10 IEEE CC#CC[C@@H](CO)NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2010123554 FVSDSCBKCSEWGI-FQEVSTJZSA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2124535733 NSYHFNXDQIYMQA-NUEKZKHPSA-N 444.341 2.217 30 10 IEEE C#CCn1ncc(NC[C@]2(N(C)Cc3ccccc3)CCOC2)c(Br)c1=O 2155166614 JLLWNJXTEVPSOB-HXUWFJFHSA-N 431.334 2.342 30 10 IEEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2162579769 BUPVGCSUBASVNB-INIZCTEOSA-N 442.419 2.276 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2174787696 XATIMYIRFGFEGE-MSOLQXFVSA-N 433.461 2.060 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212229911 FHGATFHGUPFILJ-PDSXEYIOSA-N 427.542 2.190 30 10 IEEE C#CCN(CCO)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229100827 HRTNJMRODJPAJC-INIZCTEOSA-N 425.323 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CC(Oc3ncccc3B3OC(C)(C)C(C)(C)O3)C2)C1 2232303735 LCMMUODPPKGCON-MRXNPFEDSA-N 445.369 2.453 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H](CCOC)NC(=O)OC(C)(C)C)C1 2247544291 DRHGJRPOALQKCO-BXFSZVDSSA-N 439.553 2.339 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247782043 SXWCQOUFHFJGBC-UHFFFAOYSA-N 440.371 2.318 30 10 IEEE C=C(CS(=O)(=O)NC[C@]1(F)C[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247904126 MJJJSHMYQABNCH-DHFPXDALSA-N 448.366 2.489 30 10 IEEE C=CCN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2247951842 LUFOQMUIIUJSAM-UHFFFAOYSA-N 431.367 2.405 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412385 JJMVNCRRGPGFKJ-GFCCVEGCSA-N 438.359 2.057 30 10 IEEE C[C@H](NC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248416454 SFSXVYWXQHUEKU-NWDGAFQWSA-N 441.359 2.464 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255651525 XPSXYOZBFCEKAF-ZDUSSCGKSA-N 437.321 2.411 30 10 IEEE Cc1c(C(=O)NCCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834186 LHLNYRTYBSROEX-UHFFFAOYSA-N 436.362 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NC3CC(B4OC(C)(C)C(C)(C)O4)C3)C2)C1 2256882676 NAQGHFSFTLIVLO-UHFFFAOYSA-N 435.374 2.279 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)[C@H](O)C(C)(C)C 2258957504 AJOLXZYARYBOIY-CVEARBPZSA-N 438.374 2.428 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267180143 CEWWRVJVNYNUGZ-LJQANCHMSA-N 438.381 2.313 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)OC1(C)C 2267527991 ADQRYYXSQJWMNF-OTWHNJEPSA-N 436.365 2.492 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267610093 XSSWSJQVNYFLHW-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267883303 CQHCKNPVZSAJFT-GASCZTMLSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268636321 BTRXFCKYPHKCKO-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269075637 XLHXANLIGXSZPV-FQEVSTJZSA-N 438.333 2.301 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2298375945 SPYLQQPMDGAPIG-FPMFFAJLSA-N 435.355 2.180 30 10 IEEE CCCNC(=O)CSc1nncn1N=Cc1cc(Br)cc(OC)c1O 2321260710 GMQTZJPATHBMBU-UHFFFAOYSA-N 428.312 2.255 30 10 IEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccs1 2325917563 GWSOBMGGLPHMEU-HNNXBMFYSA-N 440.554 2.315 30 10 IEEE O=C(O)CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F 16741177 WSTCUESNIBAYAD-ZTCBQOELSA-N 436.433 2.172 30 10 IEEE COc1ccccc1NC(=O)CCSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20921275 OJDFPKCCDFBLRO-UFFVCSGVSA-N 443.537 2.345 30 10 IEEE CCCOc1ccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1Br 169883618 GVUFXEWPNRGARI-NVMNQCDNSA-N 441.307 2.378 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 238931123 VCCOUUARLVKIAC-RHSMWYFYSA-N 425.876 2.425 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 440998752 JWBFDSVSAXKKLJ-UHFFFAOYSA-N 449.533 2.249 30 10 IEEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)CC1 445556635 HZGNDLOVUIAULB-UHFFFAOYSA-N 449.460 2.224 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@](C)(O)Cc3ccc(OC)c(OC)c3)cc2C1=O 461242602 OLMUTPWRBRUAOZ-DEOSSOPVSA-N 438.480 2.209 30 10 IEEE N#Cc1cscc1C(=O)NC[C@@H](O)COc1ccc(I)cc1 476287335 OCHXOHFRHGPVKW-GFCCVEGCSA-N 428.251 2.394 30 10 IEEE N#CC1(NC(=O)CCn2nc(O)c3ccccc3c2=O)CCN(Cc2ccccc2)CC1 479306589 BYOYYOLAIBKXHR-UHFFFAOYSA-N 431.496 2.167 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2cn(C)nc2C(F)(F)F)c(C#N)cn1CCOC 481435462 MJWKCBHISJFUER-UHFFFAOYSA-N 442.398 2.257 30 10 IEEE COC(=O)c1ccc([C@H](NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C(F)(F)F)cc1 481440631 TYEGHAJLUPDYOQ-MJGOQNOKSA-N 440.466 2.359 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCn3c(nnc3-c3cccnc3)C2)cc1Br 481498146 WNIFSJSPTOBQFP-UHFFFAOYSA-N 445.302 2.179 30 10 IEEE C=CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1nc(C(=O)OCC)cs1 501952196 WCRILBDLHHPDNY-UHFFFAOYSA-N 439.471 2.464 30 10 IEEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 508955786 JVJSNRYVFJEMMN-UHFFFAOYSA-N 425.493 2.398 30 10 IEEE Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCN(c2ncccc2C#N)CC1 515207491 JMBIIZGFHUUXSL-UHFFFAOYSA-N 449.540 2.058 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)cc1 521607067 OAFWHQNVVUFMQH-YOEHRIQHSA-N 425.576 2.379 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 522319154 KUQAOMFXORGWIB-INIZCTEOSA-N 428.512 2.010 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cn2cc(Br)c(O)nc2=O)n1 543933464 UCDPEBOLHVHZLU-UHFFFAOYSA-N 449.652 2.061 30 10 IEEE C=CCn1c(Cc2noc(-c3ccnc(N4CC[C@H](C)C4)c3)n2)nnc1N1CCOCC1 545639962 MBYAAJZAPDUKFS-INIZCTEOSA-N 436.520 2.183 30 10 IEEE C=CCc1cc(CNC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc(OC)c1OC 548509302 VIMGGKRQFBUBKY-UHFFFAOYSA-N 437.562 2.188 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCOC2)cc1 550092575 BGJCLYJPNLIXRY-ZWKOTPCHSA-N 446.577 2.040 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)n1 553166177 NRAVHBQOOOAMFE-JQHSSLGASA-N 426.908 2.393 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=C)C)CC1 555246190 ZLILJRHYMMGTNJ-UHFFFAOYSA-N 433.560 2.437 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 573579802 VAOATUQLRGNNOO-IBGZPJMESA-N 441.532 2.366 30 10 IEEE CCOC(=O)[C@@](C)(NCc1cccc(C(=O)OC)c1C#N)c1ccc(S(C)(=O)=O)cc1 582582789 IZGXFCOQKMHTBK-QFIPXVFZSA-N 444.509 2.316 30 10 IEEE COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(S(=O)(=O)c1cnc(C)c(C#N)c1)CC2 584506022 OKNVGOBTZUQWQC-QGZVFWFLSA-N 431.470 2.042 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 586301414 ZSUZTCJVOQFUAZ-GDLZYMKVSA-N 427.507 2.092 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)[C@@H](C(=O)OC)c3ccccc3)cc21 586314721 RQDKSCCAAPOFOO-IIMAJNMQSA-N 427.478 2.444 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 744947814 GTGTWZPFRLXDDX-POAQFYNOSA-N 427.501 2.260 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 780206926 WEFYWJKFRPXPPZ-QFIPXVFZSA-N 436.464 2.492 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC[C@H](OC)C(F)(F)F)cn1 786686872 CKYDSRSLWDWPLR-KGLIPLIRSA-N 447.483 2.471 30 10 IEEE C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCCN(C)C)S/C1=N/CCc1ccccn1 795185650 YHUROPXWVRNIPZ-DNPIASIESA-N 431.606 2.181 30 10 IEEE C[C@H](C(=O)OCc1cc(Br)cc2c(=O)c(C=O)coc12)n1cnc(C#N)n1 798742603 QKECCGIQDXLXTG-SECBINFHSA-N 431.202 2.136 30 10 IEEE N#Cc1ccc(CC(=O)NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cc1 810730184 CERVJCGQESRREO-UHFFFAOYSA-N 442.222 2.416 30 10 IEEE C[C@H](OC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 854172682 DMLZYSDJHFNJMU-LBPRGKRZSA-N 444.513 2.233 30 10 IEEE Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)nc1 858040057 BTSDCZRCIUWHPP-VXKWHMMOSA-N 437.519 2.391 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1124724027 WPCAFLXQDQFYQW-UHFFFAOYSA-N 426.477 2.395 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C#N)nc3)CC2)cc1OC 1130660515 GRYNDBYUTCZFTJ-UHFFFAOYSA-N 444.513 2.034 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1133376272 GAIJKBQXLLEXPK-UHFFFAOYSA-N 430.530 2.224 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1OC 1134282023 CNZUASXZRDCNDC-OAQYLSRUSA-N 444.509 2.339 30 10 IEEE Cc1ccc(C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1B1OC(C)(C)C(C)(C)O1 1136408348 LHHXRQYYFAOWPI-UHFFFAOYSA-N 434.301 2.320 30 10 IEEE C=CCCn1cc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc3oc(O)nc3c2)nn1 1136618802 AQYSPEPZXIHIFC-ZDUSSCGKSA-N 430.490 2.191 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2cncc(C#N)c2)cc1 1178373094 DEZXTDOOKIFWIZ-FQEVSTJZSA-N 426.498 2.015 30 10 IEEE COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)c1cc(C#N)c(SC)nc1O 1179193573 ISWSFBYGQLQZJK-HXUWFJFHSA-N 425.470 2.092 30 10 IEEE COC(=O)c1cccc2c1CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1225935935 BNWPLSLTUVAMMI-MAUKXSAKSA-N 428.489 2.300 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286390476 BBMWBXHDFBZJGM-REWPJTCUSA-N 444.601 2.097 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCS(=O)(=O)CC1 1286405071 XZOAGNDYRJSRLX-UHFFFAOYSA-N 448.552 2.233 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)OC(C)(C)C 1286424067 XYMIXEDBGQMFQV-HSZRJFAPSA-N 445.564 2.308 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cccc3[nH]ccc23)CC1 1286472001 POHZJLFRJKDAKK-LJQANCHMSA-N 436.560 2.481 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)CC1 1286474538 HCVIKTUXUKSVAT-OAQYLSRUSA-N 442.995 2.201 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286505271 ZJQOOAFMGDPKGJ-AZUAARDMSA-N 426.590 2.254 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@@H]1C 1286548949 VNCRPJNOSLDLCJ-ICUGJSFKSA-N 425.599 2.494 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1286734837 XDJWPAHECOMMQM-XMMPIXPASA-N 446.640 2.500 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1286745449 WDKULEFFNJCCMK-PKTZIBPZSA-N 446.523 2.413 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1286755259 RGVSXBQPIHTKDP-NRFANRHFSA-N 429.594 2.065 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286820364 KDYNHAWEUFCPBJ-IPMKNSEASA-N 438.594 2.026 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1286833028 TXEMXAPYOMOJAD-OAHLLOKOSA-N 436.607 2.002 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1286964870 FDCAKRMCFCQSNG-OCCSQVGLSA-N 437.426 2.209 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1287423003 DEYQDJRNRPIMKY-QWHCGFSZSA-N 449.392 2.208 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)CC1 1288982959 GHZNGLZARIOQDN-UHFFFAOYSA-N 441.927 2.298 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1288985749 BOTDOFISXHOWBW-KRWDZBQOSA-N 443.577 2.207 30 10 IEEE Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1289193711 FXCSCHGYFIVUSD-UHFFFAOYSA-N 447.528 2.371 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CCN2CCOC[C@H]2C)cs1 1290405000 NLZGJFHOEIWEGC-MRXNPFEDSA-N 429.594 2.485 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3nn[nH]c3n2)cc1 1291832110 KGUKIINYOXICAG-ULJHMMPZSA-N 427.490 2.198 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300364999 PMZLGCUFONOQKZ-OAQYLSRUSA-N 442.608 2.110 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300484937 VBCUDCQWKSAUTL-KZNAEPCWSA-N 432.546 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2[nH]ccc2c1 1300579724 YVIROGAIUGHHJW-HXUWFJFHSA-N 435.553 2.367 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCC1 1300635885 ZVGPHEMDQOSDJW-UHFFFAOYSA-N 428.562 2.132 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(Br)n2)CC1 1300695773 JCZWLSRMXVUJQM-UHFFFAOYSA-N 438.333 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(C)(C)O)CC1 1300718344 KUMWSXCALGMFMF-UHFFFAOYSA-N 430.940 2.120 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300766273 YOKPVCYKROXGOA-QFIPXVFZSA-N 425.558 2.103 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1301577540 PYWQMNCWGPDREK-IBGZPJMESA-N 446.573 2.498 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CC1 1303791099 UMMBDJYTEUOFAF-UHFFFAOYSA-N 427.545 2.304 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1conc1COC 1305988777 NOCHAHBIDODOFD-GOSISDBHSA-N 438.488 2.331 30 10 IEEE C#CC1(O)CCN(C(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1311987415 RBUDLNHHCHVTDH-UHFFFAOYSA-N 443.363 2.171 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1314881411 ZFJIGJJEYTUFQF-QGZVFWFLSA-N 426.521 2.259 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1358911287 PQEQFRNAHBVMND-UHFFFAOYSA-N 426.521 2.114 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1358911409 SZUYKRUHSFRRQQ-MJGOQNOKSA-N 428.581 2.410 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1358922087 SSRFMWGDXYHCNK-CQSZACIVSA-N 440.367 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1358960253 AGEXRIFDPNCIOE-QGZVFWFLSA-N 427.505 2.396 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358963625 LEMUTOBNFQBUFG-QRVBRYPASA-N 435.638 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CCOCC1 1358997873 IGHJPJXXBJHNET-FQEVSTJZSA-N 439.535 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCc2ccccc21 1358999465 RVBSKPHUQJKQLL-XTJBDQBJSA-N 434.540 2.299 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCC[C@H]2C)CC1 1359039727 SYYRKGDQXOHJRY-NJDAHSKKSA-N 428.625 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359044943 SBBRRCOMEXGAJQ-KDURUIRLSA-N 426.609 2.489 30 10 IEEE C=C(C)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359124709 ADMPQJAYKXJRPF-SXWKCWPCSA-N 433.597 2.442 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1359132875 HJULNPOPVUGZDV-OALUTQOASA-N 438.594 2.026 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359187708 UVDPCGDHRGFIRB-SFHVURJKSA-N 427.553 2.450 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1359230488 VOTDQFSFKXWZIW-HXUWFJFHSA-N 447.543 2.449 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359291430 PUSVANWXMANJIZ-RDJZCZTQSA-N 433.582 2.319 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CCOCC1 1359298348 WNVFXURNJFOGHH-UHFFFAOYSA-N 435.532 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](OC)C1 1359327604 GFQXWHCEGBDIFH-MRXNPFEDSA-N 442.488 2.372 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1443147965 WDEOQIMWMWOWNJ-ZWKOTPCHSA-N 436.553 2.204 30 10 IEEE N#C[C@H]1CN(C(=O)c2c(Br)nc3n2CCOC3)CCN1Cc1ccccc1 1443893168 IUUSOMKNKZPDOJ-HNNXBMFYSA-N 430.306 2.026 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 1447478540 CILQANIGLZJPDN-GDZNZVCISA-N 434.443 2.193 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)c1 1454737333 JNQUBHSUDRZOPY-QGZVFWFLSA-N 426.416 2.080 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(Br)c(F)cc2OC)c1 1462866958 DTDMXEFLVHINTF-UHFFFAOYSA-N 441.278 2.495 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)nnc12 1472609377 IMWDTGVJEOGPIH-COJSNBRMSA-N 427.530 2.250 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)OCC 1475629737 WFMDPKUQSIHFAF-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE COc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NC(C)C 1504383068 FOZOSVQKKBNAIM-UHFFFAOYSA-N 447.499 2.013 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507596825 PSBHPXLOFGLGIU-HSALFYBXSA-N 443.592 2.438 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CCCC 1507603606 CMFOZTFKUPRQNE-UHFFFAOYSA-N 431.610 2.348 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCC2)CC1 1507722289 SRXHFDBBSZQRLZ-LJQANCHMSA-N 439.560 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1507736854 TZSGNGUORGBZMQ-TZIWHRDSSA-N 436.560 2.231 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507774875 DPUGWXGZXTWSJW-AWEZNQCLSA-N 441.374 2.018 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1507793656 FHLDCQUWKLJKBP-HKUYNNGSSA-N 433.578 2.220 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507801342 ULPODOIJGZNDSQ-ICSRJNTNSA-N 433.516 2.452 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1507965587 TYLLGQDTHZPOPX-OAHLLOKOSA-N 433.459 2.381 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)C 1507970174 FHZBPWHHBVABQT-UHFFFAOYSA-N 433.582 2.084 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1507983785 RWOIZDJEIBWNTC-LJQANCHMSA-N 426.546 2.096 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)NC)c2)C1 1508121957 HCMOYDJOUPRONC-PMACEKPBSA-N 425.533 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)S[C@H](C)C1 1508130809 JAIACSYMADZFQO-GASCZTMLSA-N 443.639 2.128 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1508156185 VMGIVCVTINWJAH-SFHVURJKSA-N 428.566 2.392 30 10 IEEE CC(C)=CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1508758837 VTOMGDWDOVZGFZ-UHFFFAOYSA-N 434.548 2.350 30 10 IEEE C[C@]1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1510357331 SXRGVKHRGHUCMX-PXNSSMCTSA-N 433.896 2.045 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCCN1CCC[C@H]1CO 1511884631 CFJAJKQFUOQVHR-FQEVSTJZSA-N 441.555 2.161 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1 1517123492 CVEMILOFXSUMIT-ZWKOTPCHSA-N 431.587 2.441 30 10 IEEE CN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1517154201 DMVNRKJROKAZID-QZQOTICOSA-N 449.540 2.488 30 10 IEEE Cn1nnc(Br)c1COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1526903028 DXUPKHSGLXVGAT-JTQLQIEISA-N 438.669 2.199 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 1527211466 LNYQUJVPZJTMQG-OMELWMDRSA-N 432.546 2.133 30 10 IEEE C=CCOc1ccc(CC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1 1529158326 ZCSRSVDKMJGPAA-UHFFFAOYSA-N 443.569 2.046 30 10 IEEE Cn1nccc1[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)OC(C)(C)C 1531280969 KJJGETYRVXOVON-DNVCBOLYSA-N 427.480 2.456 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1539362271 VMKDCPGBNNCNHN-IAGOWNOFSA-N 442.564 2.353 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cn2cccn2)cc1 1539409013 LNAKCMXIZCBBFG-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1539519401 FVNUOVVPERGKCC-QFIPXVFZSA-N 427.574 2.405 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1540021605 WLZUDMLUYDWNIL-LBPRGKRZSA-N 438.381 2.380 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1540873261 SHNULXKFGZKFNP-QGZVFWFLSA-N 430.578 2.067 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540922157 FTKVXBQIRRAEMX-OAQYLSRUSA-N 435.594 2.049 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1541175043 CXTHFYZFYRGKHY-FQEVSTJZSA-N 434.541 2.287 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C 1541413442 ICSICWKSQULZDR-UXHICEINSA-N 444.605 2.416 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnc3n2CCOC3)CC1 1543137402 KGXPKKWFPLFHDD-MRXNPFEDSA-N 430.306 2.198 30 10 IEEE CCSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552595909 XAEUDGYWFPVMRW-KRWDZBQOSA-N 440.577 2.245 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1554433292 GFONZWQMACZFLD-UHFFFAOYSA-N 431.500 2.231 30 10 IEEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1560092661 ZHICHVFLDMKSSF-SFHVURJKSA-N 430.553 2.050 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@]2(c3ccc(Br)cc3)C[C@H](O)C2)CC1 1560125006 MDVVLXPTSKFGGT-SBHAEUEKSA-N 449.393 2.081 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1561745046 HCUIRGMGDCASRM-LPHOPBHVSA-N 428.576 2.121 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 1563368097 DZYQMYDKGRHHML-UHFFFAOYSA-N 428.470 2.423 30 10 IEEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2)cc1 1565227608 IFFLRFCFNHYDJW-YADHBBJMSA-N 435.528 2.325 30 10 IEEE N#Cc1cn(CCNC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)c(=O)nc1O 1585295132 BAUSHPKCJFAGAR-UHFFFAOYSA-N 437.681 2.084 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N=c2cc[nH]cc2)cc1 1585995969 PJUJZVYIOJHZCN-UHFFFAOYSA-N 449.536 2.382 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1587585554 BGTMDXZCDPWXKJ-OAHLLOKOSA-N 446.349 2.414 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1587621125 OYCWNEPFCPSONZ-MRXNPFEDSA-N 447.543 2.220 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1587898787 XNXJJMCXSGYLQC-HOTGVXAUSA-N 447.477 2.438 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1588143954 ORUYESFVFILKLY-GUDVDZBRSA-N 443.548 2.084 30 10 IEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(S(C)(=O)=O)CC1 1588581356 OFGFSMFEOUGLBB-UHFFFAOYSA-N 442.585 2.411 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1588811429 IYBMKZASWOPPTN-FDFHNCONSA-N 428.625 2.295 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1594192520 KCORXBKQBTXLER-XYJFISCASA-N 425.599 2.496 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](O)c2cc(OC)ccc2OC)cc1 1595032397 VREAVNOIOSFCNB-JLTOFOAXSA-N 434.514 2.020 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595570003 UHYQZVXUIIXQSA-NTKDMRAZSA-N 439.560 2.140 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595745866 XXLAIDMKSDREAU-WOJBJXKFSA-N 430.574 2.279 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccn(Cc2ccccc2)n1 1596783316 OYKYPBSZVDMECP-SFHVURJKSA-N 432.532 2.403 30 10 IEEE N#C[C@]12CN(C(=O)CCCOc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1616328145 FHSYVAYWJVDPGR-SUMWQHHRSA-N 427.320 2.005 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS2)CC1 1619548050 DJIUHVVZVIDDLK-SFHVURJKSA-N 426.546 2.007 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)CCO1 1619753924 GSYSTXGNBIGEEQ-OFNKIYASSA-N 441.532 2.395 30 10 IEEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1619828374 BMINRXXGIHEHFQ-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OCC 1622449974 GLADPKSRDJEZAD-LBPRGKRZSA-N 449.856 2.333 30 10 IEEE N#Cc1ccc(OCC(=O)NCc2cnc(N3CCOCC3)s2)cc1Br 1626423293 CJZBLZQFDLNILH-UHFFFAOYSA-N 437.319 2.309 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](Cc3ccccc3O)C(=O)OC)ccc2c1=O 1629957959 VMZJTRYZIPTVDS-QGZVFWFLSA-N 439.493 2.091 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1633171195 GFHWKOADBDZRHZ-INIZCTEOSA-N 443.525 2.056 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)C1=O 1634109395 AADIBORKNWXASW-FUHWJXTLSA-N 446.552 2.099 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2O)ccc1F 1636734206 JHGNZARRWRLXHE-UHFFFAOYSA-N 438.433 2.043 30 10 IEEE C#CCOCCN(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1640914531 WDDFQBDOACVKKJ-UHFFFAOYSA-N 426.844 2.135 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OCC)CC1 1641040459 IJNWIKRANSBURQ-UHFFFAOYSA-N 432.476 2.482 30 10 IEEE Cc1cccc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1Br 1644133692 HRVJRQGTBOEKRP-UHFFFAOYSA-N 434.290 2.343 30 10 IEEE C#CCN(C(=O)c1nnn(Cc2cc(C)on2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1644790256 STFQPBLCUFKMRG-UHFFFAOYSA-N 442.520 2.406 30 10 IEEE C[C@@H]1CN(CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 1645219655 WUYXFPIWLNYDQI-HZPDHXFCSA-N 426.477 2.211 30 10 IEEE Cn1ncc2c1CC(C)(C)CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1647899863 BZJUUQWMNRVARS-SFHVURJKSA-N 434.500 2.108 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C(=O)OCC 1663905126 JMNAYGGQLXNJGV-INIZCTEOSA-N 436.527 2.152 30 10 IEEE C=CCOc1c(Cl)cc(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1OC 1664955275 VNQQERIJMUUZGZ-UHFFFAOYSA-N 426.926 2.143 30 10 IEEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1683467065 MTCKALOBSRRRQI-QGZVFWFLSA-N 436.331 2.401 30 10 IEEE COC(=O)c1nc(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)ccc1Cl 1687007046 VNMZDCFAQZUXTM-UHFFFAOYSA-N 434.909 2.190 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1cccn1 1689830666 BKBZMMCEIHWPKX-MRXNPFEDSA-N 440.577 2.291 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCc1ccco1 1690024082 RBAXROYLRPDLDT-UHFFFAOYSA-N 426.480 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1cn2ccccc2n1 1690025600 XIESVNIFKKPOGO-UHFFFAOYSA-N 443.536 2.233 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N1CCOCC1 1690064011 XCXIHUPKJITYSE-INIZCTEOSA-N 427.574 2.450 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCOCC2)CC1 1690110352 IMLQDNFMKAEXDY-UHFFFAOYSA-N 436.560 2.329 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690172504 HLMCIGPIWACAKO-UHFFFAOYSA-N 430.622 2.047 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690174997 NVOUWBXSBNURQE-HNNXBMFYSA-N 431.522 2.095 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690219769 KRYWIZCZCMBKSJ-ZBFHGGJFSA-N 439.358 2.087 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1690257240 BPCXZOPCEFDQEA-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690480249 DZQIKCGAJUQOSD-IAGOWNOFSA-N 438.532 2.398 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1)C1CC1 1690537302 MGBQPXLTTBQDRE-HNNXBMFYSA-N 447.561 2.137 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1690565744 RSPQPSRIRBROGY-IBGZPJMESA-N 440.573 2.463 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1690581577 USENTYJHTPZECK-SLFFLAALSA-N 430.597 2.148 30 10 IEEE Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1692914449 ASRKYYYOKLWGFH-KSSFIOAISA-N 437.595 2.026 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)s1 1693445946 QONAUMJHEJZFND-UHFFFAOYSA-N 427.559 2.178 30 10 IEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCCN2CCOCC2)CCO1 1698493738 XBMOCCFZOIIHOW-QFIPXVFZSA-N 438.576 2.295 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(C2CC2)C1 1705481140 AKPCQZRIZLHNFH-SJORKVTESA-N 427.574 2.291 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1705560719 MVNJASJCLXAOPB-KGLIPLIRSA-N 426.493 2.058 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1705568820 VPGYEUAXDUNTHB-LJQANCHMSA-N 444.605 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCN1C1CC1 1705588783 DVWYTUSAZJXVHO-FQEVSTJZSA-N 431.544 2.405 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1\N=CC=CC1=O 1705608965 KZHSYPNLTMRHQH-XTQSDGFTSA-N 441.495 2.479 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705616741 MPWFDQQUUKKPSD-LJQANCHMSA-N 445.589 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)O)CC1 1705645034 JIDXMRYWDSHUAW-MRXNPFEDSA-N 443.523 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705694586 CWUGAMGCQPZAPN-BJLQDIEVSA-N 429.521 2.169 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1705789829 YNSFKSNVAUUYMJ-UHFFFAOYSA-N 437.566 2.479 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@H]2C1 1705825585 XMAHVMJVQUTONR-SFHVURJKSA-N 425.537 2.193 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1706230908 HTOBEWJLPYEKMR-UHFFFAOYSA-N 434.548 2.419 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)[C@@H](C)C1=O 1706507165 HWMNMSATFAUIEO-KRWDZBQOSA-N 432.532 2.292 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)N1CCOCC1 1708939811 FBGMPXDTSCTXFO-GOSISDBHSA-N 440.548 2.264 30 10 IEEE CC[S@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1710923302 CLGNFZJZIXLKDL-SZUZZLPFSA-N 431.562 2.279 30 10 IEEE CN(Cc1ccoc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1711110648 BTNPTBSJGHYOKG-LJQANCHMSA-N 440.529 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@]2(O)CCOC2)c1 1722307106 JFTLWFIDIHYWOD-XMMPIXPASA-N 437.544 2.218 30 10 IEEE C#CCCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722338798 MSAPDXJDDVWERE-QHCPKHFHSA-N 431.581 2.473 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1722365588 NBGQVJGSEPFCHN-IBGZPJMESA-N 441.582 2.309 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722365693 DYKJAKKKIAIRPV-LJQANCHMSA-N 428.558 2.342 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722534284 LZMMHABCJVQCJH-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cccn2)CC1 1722559626 CQGCJKGSPKDPPV-QGZVFWFLSA-N 441.561 2.279 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722599619 YYPASPRPNHFZDT-UHFFFAOYSA-N 431.585 2.454 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722644731 MMGKBKYZOQKQNR-QKLQHJQFSA-N 442.568 2.125 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722739434 DQHUJDOUPRXZOX-UHFFFAOYSA-N 429.594 2.455 30 10 IEEE C=CCSCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1722740666 YMSZYNCGLODSGF-HKUYNNGSSA-N 434.654 2.484 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722743797 JFLCIIQSHAXOAL-QGZVFWFLSA-N 433.582 2.453 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1723780189 OCIGLIBDBDHBIY-SJLPKXTDSA-N 433.507 2.358 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)cc1OC 1730072080 FFTHXAMUNYLDOA-HXUWFJFHSA-N 426.456 2.074 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N(C)C 1730759697 GQHUETFDYHSQKB-AWEZNQCLSA-N 438.374 2.363 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCOCC(F)F)c1 1731180778 LHHBSEGGMMIOGD-ZWKOTPCHSA-N 433.459 2.483 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1740544824 KPVJJLYXNSMKRO-ZWKOTPCHSA-N 434.544 2.390 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2snnc2C)c1 1740564292 IHNDBKHLXHMNFF-MRXNPFEDSA-N 437.529 2.046 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1740575898 WMNKRUPIIFOMPW-OALUTQOASA-N 437.610 2.287 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1740631452 SMADPOZMJCPMLH-KRWDZBQOSA-N 438.557 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCNC(C)=O 1740641537 KIHPIUPNHIEKMV-UHFFFAOYSA-N 444.333 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC=CCO1 1740678301 ITMMTGSQQHLRET-IBGZPJMESA-N 443.935 2.293 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1Cc2ccccc2O1 1740680112 RNSVUCOOSJUXRB-RDPSFJRHSA-N 440.544 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=C)Br)CC1 1740706591 XEHUTRKSXNFDKS-MRXNPFEDSA-N 436.354 2.047 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1740786535 HFCUDOSNVDPBGJ-SFHVURJKSA-N 441.532 2.383 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740829553 YHGNDBVMVDYELD-JOCHJYFZSA-N 446.573 2.126 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1741006226 DFEXDCZOHQKCSN-YSIASYRMSA-N 448.637 2.038 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1741030507 HWIYVQDSSGYDDY-FGZHOGPDSA-N 436.560 2.441 30 10 IEEE CC(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741117232 GPZAMCNAKJMONT-UHFFFAOYSA-N 445.527 2.239 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1748690537 UOIBWKNKVXUSPB-LOKZHVLNSA-N 433.553 2.047 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1748808040 GVSPYOFWPLUSRD-SFHVURJKSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1748816325 YZJSJWRUVRLOJS-IBGZPJMESA-N 428.558 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1 1748825321 UZLKGPHWSMBCCC-JOCHJYFZSA-N 425.920 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748903328 XDONSWWDYSFYHW-XMMPIXPASA-N 435.503 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1748950119 FDZDZEABZNTVNP-NFBKMPQASA-N 426.517 2.378 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CCO1 1749575950 DEBUDNWWVNHMME-QUCCMNQESA-N 427.505 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCSCC1 1749730504 GOJGCWSJJSOMRG-UHFFFAOYSA-N 444.586 2.285 30 10 IEEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1749753661 UNXMSDBEZKXNHC-SFHVURJKSA-N 434.491 2.255 30 10 IEEE CC(C)(O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1750529122 RLTHYPJQWTWNCQ-JOCHJYFZSA-N 426.496 2.232 30 10 IEEE Cc1ccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1751547270 AHPYKMUOBVRFSW-LSDHQDQOSA-N 449.515 2.065 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2cnn(C)c2)c1 1760127522 BUBLNRLWMVGZHG-UHFFFAOYSA-N 440.511 2.102 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1760130077 DLUKKRXBMGEJGU-QGZVFWFLSA-N 448.568 2.158 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1760190704 UNNWGPYCMVZEKJ-MOPGFXCFSA-N 445.614 2.176 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760373476 TUHZHMSQWXSNNN-KRWDZBQOSA-N 449.964 2.424 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2OC)CC1 1760381901 DGQGRSNZNPAGJG-HNNXBMFYSA-N 435.550 2.110 30 10 IEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(N3CCOCC3)n2)CC1 1760383761 YIBYZBDHUFJWSN-IBGZPJMESA-N 442.564 2.438 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)nn1C 1760467624 OQBGBFNGLGWOOE-UHFFFAOYSA-N 434.592 2.355 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1760523801 IBNLBYHTSBAXBS-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)C1 1760537267 MKWKKWSSTSHGLR-PGRDOPGGSA-N 430.553 2.110 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC(C)CC2)C1 1760549492 FSMDYZHKQAIGAM-WOJBJXKFSA-N 430.597 2.302 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)CC1 1760776061 QVMXCLAFUCQOGT-GOSISDBHSA-N 448.568 2.284 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1761074548 AEYLSMSXOFNZRC-JOCHJYFZSA-N 438.536 2.170 30 10 IEEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)ccc1Cl 1769854836 DDVZZODLCZKXGG-HIFRSBDPSA-N 437.953 2.486 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)CC1 1771539210 QEUWGGAUGUWNTA-UHFFFAOYSA-N 430.553 2.230 30 10 IEEE N#Cc1cnc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)c(Br)c1 1851191900 DITPDYXDOGYLDL-UHFFFAOYSA-N 433.237 2.331 30 10 IEEE CS(=O)(=O)[C@@H]1CCN([C@@H]2CCCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1854016444 FLNNGVDUPIYYME-CRAIPNDOSA-N 437.949 2.046 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(O)c1 1862736068 UPLNGSANAQYWRF-GOSISDBHSA-N 425.397 2.015 30 10 IEEE C=CCN1C(=O)C(NCCN2CCOCC2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863707047 XQARXLJIIARTIU-UHFFFAOYSA-N 447.535 2.453 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1873710436 DVXCQYCFSFXPPX-VMPITWQZSA-N 428.470 2.389 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(Cl)cc1 1874433738 VXEXXMQCZRIQGN-NUGSKGIGSA-N 446.920 2.451 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc(F)c1 1874434012 IYDYOUNMLKPWGA-FOKLQQMPSA-N 432.525 2.477 30 10 IEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(OC)c1 1890261921 UNOMTJRICLZWIW-UHFFFAOYSA-N 443.588 2.354 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC2)CC1 1890409621 OUSIPZYGXPZUQF-UHFFFAOYSA-N 444.576 2.358 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 1918926897 JQPNYYGAQCKMDA-HSZRJFAPSA-N 432.370 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060635537 MVJMMOZWXYPYAO-HIFRSBDPSA-N 430.314 2.184 30 10 IEEE C#CCN(CC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)O)C(=O)OC(C)(C)C 2180119931 OXXNDIVQCLURFA-OAHLLOKOSA-N 439.306 2.431 30 10 IEEE C#CCn1ncc(NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Br)c1=O 2181150404 JEMFSWDBLJVFOP-CYBMUJFWSA-N 441.326 2.077 30 10 IEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224095579 DNUXRZIHDQPGQM-KRWDZBQOSA-N 433.358 2.453 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247833614 JETWBJQCTSHLCF-CHWSQXEVSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CO1 2255526361 SFPUQELDEWQXGH-CYBMUJFWSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544740 DXSGMQJMLYAAOD-UHFFFAOYSA-N 438.330 2.240 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544841 GRDIJPAFDOQGPZ-AAEUAGOBSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620826 ZTMUMMJRFXFJPU-CABCVRRESA-N 434.346 2.275 30 10 IEEE CCn1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255650959 SQUKMJKYRJSLJK-QGZVFWFLSA-N 426.370 2.453 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255827102 GXKHHYZPODIPBF-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCN(CCC#N)CC2)C1 2256775526 DQBBTJGKKDIREN-UHFFFAOYSA-N 442.560 2.498 30 10 IEEE CC1(C)OB(c2cnc(NC[C@H]3CNCCN3Cc3ccccc3)c(F)c2)OC1(C)C 2256897437 VNWFPPHWGNFKFT-LJQANCHMSA-N 426.345 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2258960095 AKVWGESOGULQOY-UHFFFAOYSA-N 435.374 2.070 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267197989 RPMPSVPQKIEMNH-ZMSDIMECSA-N 443.353 2.427 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267273624 PEEQOCIQVTZUSC-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE CCn1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267495631 OHMSGOQBWDZISB-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267588504 MPGVCZKPFUZSIH-ZOBUZTSGSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267802799 XSAGGTHGZMFYJR-FATZIPQQSA-N 444.337 2.431 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872579 JRBNSSVCPXJIHJ-HUUCEWRRSA-N 446.357 2.199 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC3(CC2)OCCO3)OC1(C)C 2282496851 IKRFDRRHEIBJBJ-UHFFFAOYSA-N 443.758 2.167 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)OC1(C)C 2283054915 AQRJRXIHCPIVMG-XUVXKRRUSA-N 448.376 2.416 30 10 IEEE Cc1c(Br)ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1N 2286940452 MLPKVAQHEGMGMY-UHFFFAOYSA-N 439.144 2.165 30 10 IEEE N#Cc1ccc(N2C[C@@H]3CN(C(=O)Cn4ccnc4)CC[C@@]3(CO)C2)cc1C(F)(F)F 2297649226 SQXOYTVHJGSSGV-JXFKEZNVSA-N 433.434 2.121 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2300340668 UROCIMORAROZLN-FKIZINRSSA-N 435.355 2.182 30 10 IEEE COc1nc(NC2(CNC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2317503824 RXSPHTMQGFIKAH-UHFFFAOYSA-N 435.330 2.095 30 10 IEEE COc1cc(Br)cc(C=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O 2323400582 ZCZRNIJKODVQIC-UHFFFAOYSA-N 430.236 2.384 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2327901969 DJDLMQZGKGJHOY-CQSZACIVSA-N 432.506 2.267 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2329045176 UUOXHDUJKIRMNB-HNNXBMFYSA-N 432.506 2.267 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337194346 LDAZDKHAWKZIHM-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339457246 XLQXMGSIWAYKOT-MSOLQXFVSA-N 443.353 2.322 30 10 IEEE CCn1c(=O)/c(=C\c2ccc(N(C)C)cc2)s/c1=C(/C#N)C(=O)Nc1ccc(C)cc1 6180388 SNSXJZSFCVMENQ-XVXXCEHASA-N 432.549 2.446 30 10 IEEE COc1cccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 18662101 VGUFHENVPRUPTM-UHFFFAOYSA-N 442.493 2.394 30 10 IEEE COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)ccc1O 39843349 PNXBSOPWKYLXAZ-OVEPSTSESA-N 443.441 2.259 30 10 IEEE CC(C)Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)nc(O)n2C 253531499 BJJBVQPBSKSDES-UHFFFAOYSA-N 435.282 2.406 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1Br 433879465 WGCKEMDDEQJACI-MRXNPFEDSA-N 435.303 2.190 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 463677772 JBDNCMRBBYVFGX-UHFFFAOYSA-N 449.916 2.132 30 10 IEEE COC(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 464729764 AIVOXFVXBGUQRH-IRXDYDNUSA-N 428.533 2.241 30 10 IEEE CC1(C)COc2c(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cccc21 468246349 WVAVETDEZWGART-UHFFFAOYSA-N 425.510 2.375 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 471326665 INPYVLYBXARYKD-UHFFFAOYSA-N 428.470 2.358 30 10 IEEE Cc1ccsc1-c1nc(=NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s[nH]1 472290400 GZMFJVWJPZOMMF-UHFFFAOYSA-N 433.540 2.441 30 10 IEEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 485766099 MNEWAOMJYMUAOE-FQEVSTJZSA-N 437.569 2.082 30 10 IEEE COc1ccc([C@H](CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)NC(C)=O)cc1 486022259 YWDPQCWDWZIJHG-VXKWHMMOSA-N 434.496 2.051 30 10 IEEE CN1CCCC[C@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 501141768 PDNSUUAAHMWZKD-FQEVSTJZSA-N 432.590 2.006 30 10 IEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508957393 ZIADDXOBOGJAMF-UHFFFAOYSA-N 426.565 2.260 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 525173591 FMKZNCJBLPCQNK-UHFFFAOYSA-N 446.956 2.481 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1Cl 535899534 FCOKNFGKAZTWRJ-UHFFFAOYSA-N 436.896 2.296 30 10 IEEE CC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCN1CC(F)F 537288324 SPUBTUJQOPHXNT-DLBZAZTESA-N 425.549 2.118 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@H](CC)C1 555289956 MMASKEPKYYMHMF-QGZVFWFLSA-N 432.594 2.393 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 562037012 ULEBWPXWNBCOIC-LPHOPBHVSA-N 443.515 2.293 30 10 IEEE Cc1cc(N2CC[C@H](NS(=O)(=O)CC3(C#N)CCC3)C2=O)ccc1Br 575164820 NQTQLJYGKRKZGJ-HNNXBMFYSA-N 426.336 2.476 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)c1 584026398 IRFASOJUTOFDRD-UHFFFAOYSA-N 438.484 2.252 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 611672510 AESVXFWDZWMHTR-FQEVSTJZSA-N 433.555 2.238 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2cnn(C)c2)c1=O 728899343 YCXKPXRIIIHAOC-UHFFFAOYSA-N 432.427 2.068 30 10 IEEE CC1CCN(c2nn(CN3CCN(C4CC4)[C@@H](C#N)C3)c(=S)n2C[C@@H]2CCCO2)CC1 732673178 XERSACUABQRBGH-PMACEKPBSA-N 445.637 2.459 30 10 IEEE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 746200969 FUWSYXALMDCNGM-KJXVGZKYSA-N 439.516 2.037 30 10 IEEE COc1ccc(COC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)cc1C#N 747095031 HNEHCSCCIRVVSD-QHCPKHFHSA-N 437.452 2.394 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)s1 752194264 MUNOQIDPIKBJLA-UHFFFAOYSA-N 442.541 2.085 30 10 IEEE CCc1ccc([C@]2(CC)NC(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760553120 WEAWTCVEBMGOHU-DEOSSOPVSA-N 432.528 2.452 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 760990755 BJSIPBNHNVKDHA-UHFFFAOYSA-N 428.537 2.432 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 772276382 CSZGVLGVHFHIGI-HNNXBMFYSA-N 441.509 2.070 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)/C=C\c1ccc(C)nc1 774025828 WOHAJJYSEJEKSB-YFHOEESVSA-N 432.436 2.326 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](OC)C[C@H]3CC(=O)OCC)ccc2c1=O 775975750 QYGQJINVAMRQAU-LSDHHAIUSA-N 431.514 2.054 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@@H]1CCCO1 782589551 TVWGMOBDWPGORE-HNNXBMFYSA-N 441.578 2.295 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC[C@@H]1CCOC1 784119433 UXISWFKMBIBTRP-MJGOQNOKSA-N 432.590 2.421 30 10 IEEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCC1CS(=O)(=O)C1 786682203 DZHKHCKYXKWOBT-QGZVFWFLSA-N 449.598 2.338 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC#Cc2ccccc2)o1 791321709 NSSFHIWDQFWNFU-KRWDZBQOSA-N 431.466 2.204 30 10 IEEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 802565195 WGJOCODOWOWDOU-MRXNPFEDSA-N 447.463 2.318 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 809922679 VEWCVWGIFVYMLO-GOSISDBHSA-N 448.568 2.125 30 10 IEEE COCC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 810166655 MCSFBRSHYJOWPK-XKAFOEQXSA-N 440.566 2.453 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)C1 916898363 AKGRQEKBNAVBPN-NVXWUHKLSA-N 430.486 2.040 30 10 IEEE Cc1cc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc(S(N)(=O)=O)c1C 924578879 DHSXSKZDHUQOLU-PCIUKOCSSA-N 435.546 2.427 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)c1 1084031268 GLIWVBWMZYPKFC-UHFFFAOYSA-N 442.501 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1125790434 MUQXNWFDPKGYKU-QFIPXVFZSA-N 429.521 2.064 30 10 IEEE N#Cc1c(NC(=O)c2nc(Br)ccc2Br)nc2n1CCOC2 1135005852 KPTPXMAIWCRHFJ-UHFFFAOYSA-N 427.056 2.457 30 10 IEEE C=CCOC[C@H](NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)C(=O)OC 1139175362 CBKGZVMLJVGXCS-WZHMAMEKSA-N 442.578 2.416 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3nnc4n3CCCCC4)C2)C1 1141336945 QLHLKEPXNIBIAB-WCCYLALTSA-N 442.564 2.450 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1Cc1nncn1C 1286451914 DWCYNFIFWITFRN-UHFFFAOYSA-N 438.511 2.152 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccco2)C1 1286496739 VDTUOEAHKYTKMO-QGZVFWFLSA-N 438.513 2.463 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1286562738 MKIPNERYLHZODM-KQZHTCIUSA-N 447.580 2.003 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)CC1 1286645362 BRRFKPINCKBGIW-KRWDZBQOSA-N 425.599 2.450 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286671906 BIXFGKGDQOMFIH-SJORKVTESA-N 449.621 2.278 30 10 IEEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1286725087 XTGQLIBHXWXNEL-FMQUCBEESA-N 428.443 2.296 30 10 IEEE C=CCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286778338 ZYUUBBIGLYXJPG-RDTXWAMCSA-N 431.459 2.010 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286784837 VKFIHMYENANPLX-WJONJSRFSA-N 429.496 2.159 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286789221 QNVJONLFLBXGBT-UHFFFAOYSA-N 432.528 2.446 30 10 IEEE CC(C)(O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1287096153 BBGPEPNBUMTHCJ-GOSISDBHSA-N 443.573 2.382 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1296189421 FVLVFIOKCNXOBK-HNNXBMFYSA-N 437.990 2.200 30 10 IEEE C=CCN(C(=O)c1cc(S(N)(=O)=O)oc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1296420604 MBYZCUAKBGSXLV-OAHLLOKOSA-N 440.905 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1300157382 OAACBQKAYJCYKG-UHFFFAOYSA-N 428.533 2.011 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300413339 UDRNDECURAKVTN-LJQANCHMSA-N 432.532 2.123 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCOCC 1300538786 VIOUCCRRJANGPP-LJQANCHMSA-N 445.564 2.476 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301150983 FTBPDGUXQWJUII-HMXCVIKNSA-N 444.624 2.373 30 10 IEEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 1301219990 TXJPPEFXDROTCR-UHFFFAOYSA-N 444.475 2.093 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCC(F)(F)CC1 1301291542 QNICGHADWWJNEP-OAHLLOKOSA-N 443.516 2.196 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC[C@@H]2C)C1 1301545938 OAWVNGBYOKUWOB-FUHWJXTLSA-N 432.956 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)N(C)C)C1 1301565667 FORBFHAVIJBDMS-MSOLQXFVSA-N 428.537 2.078 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301959777 RVRLZXWELWVVKS-AOIWGVFYSA-N 443.577 2.140 30 10 IEEE COCCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302129594 DBCAJZVVTYXBNO-PMACEKPBSA-N 427.505 2.322 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1302207617 IWPBAPTYMBUNRF-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1302225558 UXOQMUBIFZXEDF-BSRJHKFKSA-N 441.532 2.252 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCN3CCCC[C@H]3C)CC2)c1C#N 1304730510 GJYYUKAFUNHMIF-GOSISDBHSA-N 439.612 2.481 30 10 IEEE COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1Cc1cc(Cl)cc(C#N)c1 1307301031 CTRKAKQCIGDGKA-UHFFFAOYSA-N 429.845 2.079 30 10 IEEE COC(=O)C1CC2(C1)CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]2C(=O)OC(C)(C)C 1308064949 KNAJZQIKYKFPII-BTTHDCKSSA-N 435.565 2.272 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)c1 1309696264 IMNQSMOXRNPMTO-IBGZPJMESA-N 429.542 2.164 30 10 IEEE CCn1cc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)cn1 1313834694 BSUSPTPXPWGKHW-UHFFFAOYSA-N 431.460 2.291 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1315607902 DTHHZQRPMQOLLH-ZWKOTPCHSA-N 427.505 2.126 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC(F)(F)F)CCN1C1CC1 1316540290 JDXIIFNLYGVMMB-QGZVFWFLSA-N 435.454 2.367 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(c2ccc(F)cc2)CCOCC1 1358952835 ZQLLFDWYNISQPJ-UHFFFAOYSA-N 425.508 2.357 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358959467 JIAAQMQCXKYSMG-ZWCUEREDSA-N 428.558 2.123 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC(C)(C)C 1358971548 ZPLQIRIBYRYTKB-UHFFFAOYSA-N 445.365 2.424 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1359022440 ZYXHIHIZCCLBJX-IBGZPJMESA-N 432.528 2.423 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)CC1 1359033264 VVEAPMCQTSNAEF-UHFFFAOYSA-N 439.470 2.485 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C 1359066073 MOCBNCJPFCMZEB-VGOFRKELSA-N 444.605 2.138 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359091206 KMOCQSJVDYFDGF-MERXZDIISA-N 447.580 2.231 30 10 IEEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359143615 HYMUCYDLKGXXQJ-CRAIPNDOSA-N 442.907 2.448 30 10 IEEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359212576 QCNNSOPXLGQYEU-MRXNPFEDSA-N 436.520 2.452 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCCCC1 1359293280 LVCNASPMXIDJQC-UHFFFAOYSA-N 445.593 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359329480 KIFQPZMOUAJSET-RBUKOAKNSA-N 446.573 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1359334899 UIRJHKYNPQLIPE-HDICACEKSA-N 448.589 2.286 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359647747 GNEZXOYXOJGPQG-QHCPKHFHSA-N 437.548 2.218 30 10 IEEE Cc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)N2CCOCC2)o1 1361138742 CDGSOKOOWCUSAI-QFBILLFUSA-N 438.536 2.249 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(I)cn3)C2=O)cc1 1448852734 XHPFUTRTJQCWHB-MRXNPFEDSA-N 446.248 2.089 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1449814214 FXFVJTXAZOIRAZ-QGZVFWFLSA-N 430.505 2.395 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1454357957 LEKYXZAGIVZICW-QGZVFWFLSA-N 444.509 2.417 30 10 IEEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)cc1=O 1456431349 ICNOVQFISIJVEE-IBGZPJMESA-N 430.468 2.110 30 10 IEEE N#C[C@]12CN(C(=O)[C@H](Oc3ccc(F)c(F)c3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1463165703 YFOSQGWNLHWKLO-NYSBEXSLSA-N 432.448 2.482 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN3CCOCC3)cc2)s1 1463707849 SDASZKIRUVMFFE-UHFFFAOYSA-N 435.571 2.226 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1464615392 CTMQRIQKGLADCD-UHFFFAOYSA-N 445.507 2.016 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC[C@@H](C4CC4)N3C(=O)OC(C)(C)C)CC2)c1C#N 1466920961 BRWCQGSSBYXJIQ-OALUTQOASA-N 442.564 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C 1469245506 CZTFXXSELNGGOX-IAGOWNOFSA-N 435.546 2.281 30 10 IEEE C#CC[C@H](COC)NC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1477272781 RPHUFDNYIMKFTL-HXUWFJFHSA-N 425.508 2.385 30 10 IEEE COCCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1504742303 WQBOFAONPAJOLM-RTBURBONSA-N 441.532 2.240 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)CNC(=O)C2 1507749812 XWNJDTUUHSVXLS-UHFFFAOYSA-N 430.965 2.466 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507782942 BKXOMIAFMKCABZ-HOTGVXAUSA-N 426.359 2.433 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCOC1 1507805671 NFKDCGTURUFLTL-AOIWGVFYSA-N 426.521 2.379 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507836400 JSUJRIBUVZZZRZ-NRFANRHFSA-N 431.516 2.151 30 10 IEEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(S(C)(=O)=O)CC1 1507839219 PVDSAEIXHITHSW-UHFFFAOYSA-N 445.545 2.366 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1508080236 MKZIHNBHINJMFK-HOTGVXAUSA-N 443.552 2.315 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CC[C@H](CO)O1 1513916722 UOWARHFPHDKKOP-DLBZAZTESA-N 430.940 2.232 30 10 IEEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCO1 1538844484 QGHWXQCWKJRJEA-SFHVURJKSA-N 429.901 2.021 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539154231 NEQYMLLISDIXBH-JTSKRJEESA-N 433.553 2.399 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CC(C)C)N(C)C 1539168451 XTLYOHYEELVRBG-QGZVFWFLSA-N 431.610 2.284 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539215494 DFZLLBWOWCIAGX-NLWGTHIKSA-N 443.573 2.090 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539221096 NPEDGJSPPJTAEP-RTBURBONSA-N 445.589 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOC(C)(C)C 1539257411 JEWHXTIDJZQRPL-UHFFFAOYSA-N 428.562 2.126 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1C 1539415744 GLYOFAVVOZTPJL-OALUTQOASA-N 446.573 2.042 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCS(=O)(=O)CC)CC1 1539463215 XNEHPAFJEOPJEF-UHFFFAOYSA-N 447.630 2.069 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCOCc2ccc(OC)cc2)CC1 1539468819 IYONMZFOHPAREJ-UHFFFAOYSA-N 425.533 2.168 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539520573 UOLFOWAZWUMMHN-UHFFFAOYSA-N 427.574 2.107 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539722818 UAEPEYJJRLUUKD-UHFFFAOYSA-N 444.580 2.088 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1539832213 RHIMBXVRZDZAAI-QHCPKHFHSA-N 425.533 2.428 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1540189281 OILQMRYOVRVWAM-MBSDFSHPSA-N 443.548 2.326 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccccc2C)CC1 1540872945 GWGOZZKPTCSPAN-UHFFFAOYSA-N 445.571 2.197 30 10 IEEE Cc1nc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)sc1C 1542049736 WBTOADOTDIKTTJ-UTKZUKDTSA-N 446.577 2.364 30 10 IEEE C[C@@H]([C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)S(C)(=O)=O 1542096707 UZXMOLCQOJRMHG-VRUVUOAKSA-N 443.591 2.287 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N1CCc2c(CC(N)=O)cccc2C1 1544223396 TYCRZHSKRNTQDZ-UHFFFAOYSA-N 428.286 2.312 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1545929389 XRGFQCIIHBEECV-IBGZPJMESA-N 438.532 2.299 30 10 IEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NC(C)C)cc(OC)c1OC 1554732836 CSJQUZPWQRSFNP-AWEZNQCLSA-N 430.509 2.234 30 10 IEEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nn1 1560670281 ZYIOMYCYCVZHII-UHFFFAOYSA-N 446.396 2.185 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)n1 1561531542 KMORLENNNPEWNW-FQEVSTJZSA-N 444.557 2.327 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H](c2ccccc2)c2nc[nH]n2)ccc1F 1570180916 YSJYAGFCSCCARC-GOSISDBHSA-N 429.477 2.270 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)nc1 1585231122 GZCXWNUZHDAHSQ-UHFFFAOYSA-N 445.570 2.039 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 1585593936 QNGQXHSZPOTUEU-UHFFFAOYSA-N 426.510 2.030 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1587557189 AQLAUCOKDNZCRK-JXFKEZNVSA-N 427.567 2.391 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 1587585213 DWMRHSYDPKLAQB-UHFFFAOYSA-N 434.543 2.424 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C1CC1)N(C)C 1587662987 SITJXLOTDGRDLU-ZJSXRUAMSA-N 449.647 2.441 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCc2ccccc2C1 1587904587 KKWLXERMYVQARH-SFHVURJKSA-N 429.528 2.442 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(OC(F)F)c1 1588011806 KUCCNXCCVOLCQJ-UHFFFAOYSA-N 432.456 2.384 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588051020 ZKBGMJYRPXUOAS-WOJBJXKFSA-N 445.589 2.418 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588053100 AZLGXJAIOHLPFF-HXUWFJFHSA-N 428.558 2.389 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1588272229 WILHWJCXFJKQHN-QFIPXVFZSA-N 446.573 2.252 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588309892 HHGCCQQENMIWOY-OAQYLSRUSA-N 431.544 2.200 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1593741862 ZDEOMARSKSZJJS-GOSISDBHSA-N 430.578 2.206 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594667958 BMOOTMUUWJPHMD-FQEVSTJZSA-N 440.548 2.455 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595476815 NNPAGKZKSPPCDJ-CABCVRRESA-N 446.939 2.041 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595889984 FOFDXBXPOUHGDD-QGZVFWFLSA-N 446.602 2.059 30 10 IEEE C=CCCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1596233337 IXIHNHSIMMMQMZ-WFASDCNBSA-N 436.452 2.386 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@H](CS(C)(=O)=O)c2ccccc2)cc(OC)c1OC 1598244733 AIFAMPXQILZQFJ-IAGOWNOFSA-N 432.498 2.222 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3cccc(SCC#N)c3)CC2=O)C1 1603252959 GVFBNQHRDIAMTF-HNNXBMFYSA-N 430.530 2.252 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1611780030 FLURFDUEYXTJCY-BBRMVZONSA-N 432.887 2.381 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1 1617213470 DRMIUZAPGVGJGS-UHFFFAOYSA-N 434.548 2.240 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1620284123 WYXDJEKSZQLPPL-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE CN1CCC(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)(c2ccccc2)CC1 1623548298 RYQQWFGLWJHWCK-UHFFFAOYSA-N 440.569 2.272 30 10 IEEE C=CCC[C@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1624303739 LXYMONJMRIURKZ-PEGYKEAPSA-N 430.567 2.149 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 1629069735 YIPJHUWEQIOCJQ-UHFFFAOYSA-N 439.520 2.315 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC(=O)C3CCC(F)(F)CC3)C2=O)cc1 1630535313 BHVIVTVGFDPHAT-INIZCTEOSA-N 432.427 2.274 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCCC4)C2)c1 1630761891 FTCXWRUNEJKURW-UHFFFAOYSA-N 438.553 2.428 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1636699154 DBAQLLFDVUEHOH-GDBMZVCRSA-N 445.379 2.293 30 10 IEEE N#CC1(CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCOCC1 1637326640 HQRGOHYDRWMJKG-UHFFFAOYSA-N 439.843 2.074 30 10 IEEE CCOC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCCOC1 1638315963 OPKLUFXQGPHQDT-YZDJDCJYSA-N 449.548 2.248 30 10 IEEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@](C)(O)c1ccccc1 1639714910 RWICGQLPOVQYDL-HXOBKFHXSA-N 441.553 2.371 30 10 IEEE CN(C)CCN(C)CCCN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1642073552 VHPWDJHGOCODMY-KPRXVCGWSA-N 435.613 2.115 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1643153941 CASXGDOKVLVLLP-IAGOWNOFSA-N 434.537 2.148 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 1643850071 KHLDXWAQOREMTH-XKGZKEIXSA-N 433.574 2.461 30 10 IEEE COCC(COC)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 1646157773 DISCTMZWUSNFJN-INIZCTEOSA-N 434.606 2.352 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCN(c3ccncc3)CC2)CC1 1646433962 IFGULLSXWUSAKW-QHCPKHFHSA-N 436.535 2.142 30 10 IEEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1647933087 ROOGIEJWDAYPRL-UHFFFAOYSA-N 427.530 2.008 30 10 IEEE COC(=O)[C@@]1(C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@@H]1C 1648010101 GAARXMQMEIUFNF-SRGWNRLKSA-N 442.560 2.487 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1649582732 IUJQKLWLKNZTHC-MSOLQXFVSA-N 441.488 2.394 30 10 IEEE CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)Cc1cc(C#N)cs1 1656279605 NYVITSKBXZVBLZ-NRFANRHFSA-N 425.514 2.026 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3cc(Cl)ccn3)CC2)CC1 1660237187 BKKISNNJXPOMLR-SFHVURJKSA-N 444.992 2.328 30 10 IEEE C#C[C@@H](NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccc(Br)cc1 1683681560 QVKCPVMDMBUGMF-KBXCAEBGSA-N 433.350 2.118 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCCOC)c1 1689851643 TXADZVFJZIXLHC-MJGOQNOKSA-N 446.573 2.102 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)(C)C)n1 1690019501 KHDXBDDCLUDFMH-INIZCTEOSA-N 445.614 2.250 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690177272 PJISTXFOAFXTPS-JOCHJYFZSA-N 441.557 2.275 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)C 1690194770 ABQMKUZWFBLHID-JOCHJYFZSA-N 427.505 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H](C)C#N 1690726916 QIZAQIUEUSEYRL-QGZVFWFLSA-N 426.546 2.478 30 10 IEEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690734220 YUCBPSYCEAJGQQ-YJBOKZPZSA-N 449.552 2.428 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1692540092 MXXYLSLHVJHIEN-ZDUSSCGKSA-N 439.442 2.002 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1692660747 FMDXLGYYHZMCPZ-AEFFLSMTSA-N 428.512 2.408 30 10 IEEE Cc1cccc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1692957267 HSOXNYMKFGKFSP-GQIGUUNPSA-N 434.541 2.442 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697870264 ZSNOBLNRZNYPED-XGIGFIBQSA-N 436.516 2.253 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)cc1C 1698060535 BWKKFSDUHAYQQQ-HXUWFJFHSA-N 445.589 2.406 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1698403420 GZNAZWHIBVNUMR-HMWBCQRISA-N 429.550 2.377 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3CCCCCO)CC2)c1 1698488699 KPYARZIRJCWZKF-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)CCO1 1698494177 SSLHKHMSCSBOLS-AAEUAGOBSA-N 426.424 2.087 30 10 IEEE C#CCN(c1nnc(CC)n1CCCc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705570361 MLHHDKXVWFKCRP-GOSISDBHSA-N 446.573 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)C1CC1 1705595482 UXJRMOLIQLDYLH-IBGZPJMESA-N 440.573 2.126 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCNC(=O)Cc1cccc(F)c1 1705597159 XSABADZWZHWKJF-OAQYLSRUSA-N 437.519 2.481 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1705611072 OOAZVGWMDXKYSU-IBGZPJMESA-N 431.544 2.464 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCC(C)CC1 1705622042 VZUMSEVULNWODG-IBGZPJMESA-N 439.564 2.132 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@H]2C)CC1 1705648188 RIFGYSYWCNIVDT-XLIONFOSSA-N 436.560 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC)CC1 1705651299 QZHJPGBKFZDXKJ-UHFFFAOYSA-N 428.562 2.036 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705707631 OJDMFNUHDDBMPU-GHDARCQNSA-N 431.537 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1705935153 IRBJVCOLGUPYDA-IBGZPJMESA-N 439.463 2.190 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705941539 MXNCGKBBOZDMJJ-INIZCTEOSA-N 444.561 2.095 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC(CC#N)CC1 1710974333 STLNUWLBTMSWPR-VQTJNVASSA-N 443.596 2.202 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C[C@H]1O 1711461011 YPAXPTIXMYTXCV-IAGOWNOFSA-N 431.443 2.222 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1712455432 XEGGTKSGHYHUOJ-DENIHFKCSA-N 426.521 2.435 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1712509493 XNDPLPFCEGITMK-CVEARBPZSA-N 426.521 2.075 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722371432 JAVWPWQCYDVTHF-FQEVSTJZSA-N 434.606 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(OC)nc1OC 1722376218 YQIDBMNVLSEWQD-UHFFFAOYSA-N 447.495 2.496 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C 1722398335 ZUWICRIFRKMGBW-SFTDATJTSA-N 439.585 2.478 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C(C)C)N1CCOCC1 1722408864 VSJYMZDPSOQQRG-IBGZPJMESA-N 425.533 2.490 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722454638 FRAWELYJGPFSLT-UHFFFAOYSA-N 429.594 2.280 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722487303 LZLJTZYDGPDMQG-OAHLLOKOSA-N 438.370 2.441 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722534482 PUZUGYARNGEMBX-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1722593954 CYVZRXBVZIPIGO-SFHLNBCPSA-N 448.527 2.455 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722603206 RAGMXFKMCYHDEP-QGZVFWFLSA-N 431.566 2.096 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1722691370 UGUJYRWDCOTVRK-INIZCTEOSA-N 433.557 2.388 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722707980 FPFUCWVIIZAVHS-JOCHJYFZSA-N 446.573 2.112 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1722770021 GBYMGIXQZKLROR-UHFFFAOYSA-N 438.923 2.425 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1722864079 OFTXNZINKKVUGF-ZDUSSCGKSA-N 446.357 2.403 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccnc1-n1cccn1 1723600207 DKIXEZAMUJTHDU-QFIPXVFZSA-N 433.520 2.175 30 10 IEEE CCSCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729289095 VVGNNKCACBWUNR-UHFFFAOYSA-N 441.561 2.079 30 10 IEEE CO[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1729905840 MIRNQNVUYSTPTG-MIZPHKNDSA-N 441.532 2.435 30 10 IEEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1731055322 CASKVJYUIXBPDM-PBHICJAKSA-N 426.612 2.304 30 10 IEEE C#CCN(c1nnc(CC)n1CC[C@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740623930 AEFWPXUMFHCFPN-ROUUACIJSA-N 428.558 2.424 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1741002095 FYFKRXOFJYZROR-QZTJIDSGSA-N 439.651 2.164 30 10 IEEE CC[S@@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1747452131 TUKCSJCQKGUZNR-AKJBCIBTSA-N 443.346 2.257 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1F 1748640474 VQGVNUAPFFLBPE-CABCVRRESA-N 439.582 2.419 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1748717811 IYALAFRXEWJHQM-HZPDHXFCSA-N 435.575 2.018 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)N(C)C 1748824684 HNQZLZFOEUUESG-QGZVFWFLSA-N 433.541 2.363 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1748989213 IMEPNAOKHWGCHF-ZDUSSCGKSA-N 426.468 2.061 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CN2CCCCC2)CC1 1748995004 VUXZPGWQSCLWIE-FQEVSTJZSA-N 438.624 2.017 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749134458 YYCXWCHGKWDWFU-IERDGZPVSA-N 440.548 2.363 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(CN2CCOCC2)CC1 1749141433 ZBMDXZWBFMICSB-UNMCSNQZSA-N 433.597 2.344 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1749457922 WNXJUIWICJEXCA-LJQANCHMSA-N 427.553 2.243 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)[C@@H](C)C1 1749849818 QKXGVIPIRUWKQS-KSSFIOAISA-N 430.459 2.298 30 10 IEEE C#CCCCCn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1760143648 MXGRGLUOIVNBTG-UHFFFAOYSA-N 427.534 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1760204130 DPEQHFUJSYXMOA-UHFFFAOYSA-N 426.459 2.105 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C1CCCCC1 1760250676 KGIVBPROPDYEIK-OAQYLSRUSA-N 442.608 2.284 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1760298655 PRPBOETVXFJQGG-FDDCHVKYSA-N 436.516 2.146 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760345313 STIINUWMJGPCNM-IRXDYDNUSA-N 427.484 2.345 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1760445668 RPPDLVODNWSHKF-IRXDYDNUSA-N 449.577 2.269 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760524760 IRDRAZYRBMPYEN-LJQANCHMSA-N 438.576 2.173 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1760777922 DFJZYAGOXMYSLY-IRXDYDNUSA-N 443.552 2.369 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCOC2)C1 1760793579 HKNUNOZTWVCFRI-FGTMMUONSA-N 444.536 2.124 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1761561261 PQNJAGDTCMTEOT-IBGZPJMESA-N 438.532 2.246 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCN(C(=O)OC)CC1 1764077056 APMNENPYHYFWJE-HNNXBMFYSA-N 433.557 2.271 30 10 IEEE CCOCc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1Cc1ccc(C#N)o1 1766408443 BRFODFVZGXNQPU-UHFFFAOYSA-N 429.550 2.331 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1767010533 BIFOMQMAODCHIF-QFIPXVFZSA-N 440.573 2.397 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)C1 1769215340 BXQVEXZTLYGPSU-LJQANCHMSA-N 445.527 2.443 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1770178191 QXPAJSAVPSLLQF-BURNTYAHSA-N 441.532 2.050 30 10 IEEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1771020882 QQLYBSFJONOQSR-IBGZPJMESA-N 426.521 2.292 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1771251646 UTUXUQXIXJZPHV-HSZRJFAPSA-N 441.532 2.254 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C1 1771527781 FJHUHDJJKPQYNL-JOCHJYFZSA-N 448.462 2.396 30 10 IEEE CCc1cccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)cn4)CC3)nn2)c1 1851600283 DGTKIYKQESHFNW-UHFFFAOYSA-N 429.484 2.131 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1851877327 DIGZHWJUECXFCX-UHFFFAOYSA-N 449.330 2.198 30 10 IEEE Cc1cc(C)c(C#N)c(NC(=O)[C@H]2C[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1852582121 ZEIFDJWQPBFVHJ-HOTGVXAUSA-N 427.505 2.224 30 10 IEEE C=CCN(C(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1)[C@H]1CCN(C)C1=O 1852784522 LUFBITCQWYULHF-QFIPXVFZSA-N 433.556 2.263 30 10 IEEE N#Cc1ccc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)c(Br)n1 1853313498 OXLJSOFQVZDPPX-UHFFFAOYSA-N 433.237 2.331 30 10 IEEE CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)CC#N)[C@@H](C)C2=O)c2cc(F)ccc2n1 1854815907 YFUCOJRACCVHKF-ZDUSSCGKSA-N 432.477 2.024 30 10 IEEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1)CC2 1857219903 LVHDZFJGPIGWOH-HOTGVXAUSA-N 449.960 2.114 30 10 IEEE COCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)cc1C(=O)O 1857881872 JIOTURLITDYQDA-UHFFFAOYSA-N 445.497 2.412 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1OC 1862634372 XGRNELQVOWQUJN-ODXCJYRJSA-N 441.436 2.392 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(C#N)cc3)CC2=O)cc1 1870110731 GJEDQHNVONEMJT-KRWDZBQOSA-N 441.451 2.070 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC4(CC3)OCCO4)ncnc2n1CCOC 1873557235 NJEWIMDXOPTJQJ-UHFFFAOYSA-N 441.532 2.235 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccccn1 1874239187 UJMPWLHLKSMVGM-WSDLNYQXSA-N 427.486 2.428 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C3CC4(CCOCC4)C3)CC2)CC1 1889313946 RRWPLVROEYAWLJ-UHFFFAOYSA-N 431.621 2.230 30 10 IEEE CC1(C)OB([C@H]2CCCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1933578798 UDAGYMMYYNWGMW-HNNXBMFYSA-N 448.350 2.171 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1990493630 DAHJRWAARJJDGR-BRWVUGGUSA-N 425.574 2.309 30 10 IEEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2SC)c(Br)c1=O 2140648320 FAYRHGHYAHATQF-QWHCGFSZSA-N 443.367 2.402 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@@H](N4CCN(Cc5ccccc5)CC4)C3)nc2)OC1(C)C 2172714488 YXRGPWSUWUAQJU-JOCHJYFZSA-N 449.408 2.172 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2224095607 DPOVQBNZIKKZOV-INIZCTEOSA-N 433.358 2.453 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CS)C(=O)O 2229103107 TZVWCDUERBDLCX-STQMWFEESA-N 447.351 2.384 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 2247556175 MVOFOEWCIVGNGM-BXFSZVDSSA-N 437.537 2.045 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247921428 OUGGSLQIGPLVML-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247923129 SSDCZQRWIPUXFB-CHWSQXEVSA-N 437.371 2.333 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255544399 ZAUSCLOHVBCCAT-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cn1nc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2255624667 GRHFFTZTYHKQTN-IBGZPJMESA-N 425.338 2.133 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626945 MBOCHHUDGVUFGO-UONOGXRCSA-N 434.346 2.179 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCCNC(=O)OC(C)(C)C 2255651457 WOFBPTHCJFTZAY-UHFFFAOYSA-N 436.362 2.144 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255697098 DEWPWGTXFAHFOH-INIZCTEOSA-N 431.342 2.414 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2255699551 QCYXLKZJGGXKDE-IYBDPMFKSA-N 431.342 2.158 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C1CCCC1 2255745504 RHNHGUVLHTVSJU-UHFFFAOYSA-N 446.382 2.248 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 2255868620 QQCSFWPCOGVBRP-INIZCTEOSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](O)C1 2256887085 PBSMOUMLISIPSV-HZPDHXFCSA-N 437.321 2.302 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)ns2)OC1(C)C 2256922573 DTBUYBCJDWJYQZ-HNNXBMFYSA-N 446.334 2.232 30 10 IEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)c1 2258958003 DMAIFJSNCSNERJ-UHFFFAOYSA-N 432.330 2.163 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267090951 OIRCWHLHSUYULS-GJZGRUSLSA-N 446.357 2.369 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267137707 OUVMFOWZUBSINA-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CCC2 2267139857 LSALUGTWBIXVOA-LSDHHAIUSA-N 446.357 2.275 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267140334 BMGGTWCHFUJXTG-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 2267185123 QTQDQQQZGBUARB-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2)OC1(C)C 2267269626 GMFSROJFBJUJSW-NRFANRHFSA-N 432.333 2.231 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267502685 RIJBLGPSYWYCMU-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2267522859 ZBPASPNCTCGQNG-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267551308 KTRWGGSNLDYZGA-HOCLYGCPSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267603006 VWTVTADLLBILAX-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1CO 2267822807 ZYSHOQOFWKGAAA-KXBFYZLASA-N 447.385 2.280 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300298466 AFBDYNYXGISTKR-UHFFFAOYSA-N 447.313 2.332 30 10 IEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 2314457432 JKYKPHUMNIZFKX-LLVKDONJSA-N 446.554 2.088 30 10 IEEE CCOc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1OC 2322614650 LAXLRLZNUDFJFX-CYBMUJFWSA-N 440.909 2.110 30 10 IEEE Nn1c(N/N=C/c2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20528165 SAFFNZDBVPBZMS-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3C(=O)OC)n[nH]2)cn1 59832058 PSZPIRWRDPWQML-AWQFTUOYSA-N 440.489 2.151 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 102758849 CECOLDDMQOYYJH-LCPUNJGISA-N 442.516 2.417 30 10 IEEE CCN1C(=O)[C@]2(/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 103119901 GGPFWLNFKLUGBE-UPCAWOEVSA-N 437.496 2.482 30 10 IEEE COc1cc(C=NNc2nncn2N=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O 254702643 XRWPQCHNTNBOIR-UHFFFAOYSA-N 442.432 2.052 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCC1(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 446593731 BOGMSHQGEIVNCM-DLBZAZTESA-N 432.480 2.430 30 10 IEEE CN(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)c1ccc(Br)o1 461275056 CGHILHJDVPCVEQ-UHFFFAOYSA-N 429.234 2.205 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CC1 517939791 QOSPEFPLOYCRDZ-QHCPKHFHSA-N 448.567 2.303 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3OC)cc2C1=O 519874231 OMJMHDICEBSJJR-UHFFFAOYSA-N 449.463 2.202 30 10 IEEE CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 556451125 CLYVSHQCSCOJJP-INIZCTEOSA-N 427.530 2.340 30 10 IEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 619740925 IQRYJPIBHSFILI-XMSQKQJNSA-N 433.560 2.382 30 10 IEEE C=CCn1c(Cc2noc([C@H]3CCCN3C(=O)c3ccccc3)n2)nnc1N1CCOCC1 685260614 LKYHCKVEJSEBNM-GOSISDBHSA-N 449.515 2.252 30 10 IEEE C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 725828178 ACSYJPJDTQZUQP-UHFFFAOYSA-N 440.387 2.266 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 730827853 NSLNIDSOEXTTQU-ZAAXVRCTSA-N 425.529 2.436 30 10 IEEE N#CCOc1ccc(CC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 732365902 HLSQVEYKGNGYMR-UHFFFAOYSA-N 435.480 2.096 30 10 IEEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732650076 ZOICJPRPPCRWCQ-GOSISDBHSA-N 444.491 2.304 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 749789231 UNPSLQCFTTZTKL-QZTJIDSGSA-N 436.553 2.250 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCCCC2=O)cc1 756925800 WVFYMRYFSVLTEY-KRWDZBQOSA-N 433.516 2.285 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)CC(=O)O 757377717 FATSEVVQGRVMHK-BTYIYWSLSA-N 438.480 2.422 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)c3cccc(NS(C)(=O)=O)c3)CC2)o1 788642349 OKSSFGMUKVSRGD-CYBMUJFWSA-N 431.518 2.320 30 10 IEEE COc1nc(Br)ccc1NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 789380946 HDBZIFHYDCZPME-NSHDSACASA-N 432.282 2.257 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)c1 1084091200 AOXYOGLEALATEA-UHFFFAOYSA-N 439.501 2.380 30 10 IEEE Cc1nc(SCC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c(C#N)c(C)c1C 1130215859 OYPVBOMQPFRTQJ-OAHLLOKOSA-N 431.539 2.322 30 10 IEEE N#CC1(NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 1136819790 DQHWNYBAEIRRMB-OAQYLSRUSA-N 435.480 2.075 30 10 IEEE C#CC[C@]1(C(=O)N(C)C[C@H](O)COCCOC(C)C)CCCN1C(=O)OC(C)(C)C 1137238492 OGSSPJSALFWQPU-PGRDOPGGSA-N 426.554 2.040 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1177592004 HGQVNSTVWOQHPN-HNENSFHCSA-N 438.406 2.387 30 10 IEEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 1190993789 CTSGZUCJDYQQGJ-CTNGQTDRSA-N 429.561 2.232 30 10 IEEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Br)ccc1OCCC 1211185437 GFDOLNJCLSEAFV-UHFFFAOYSA-N 426.354 2.117 30 10 IEEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1230534145 BYXUTBMHCWXOGH-FQEVSTJZSA-N 437.466 2.375 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCOCC1 1286363696 XDVKXKPLALVKER-HNNXBMFYSA-N 435.370 2.084 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286365918 NCCHHIYOEBXAJY-AZUAARDMSA-N 443.573 2.246 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(F)c1)N(C)C 1286459896 WDMDJTSTAZCZJC-FQEVSTJZSA-N 425.512 2.207 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC2(O)CCC2)n1 1286472497 YORFCNKAZFZXSF-UHFFFAOYSA-N 435.532 2.046 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286683631 WLAARHQXHXFDPD-HOCLYGCPSA-N 437.570 2.320 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286706853 VFHCLYYKWINGSW-ZWKOTPCHSA-N 427.553 2.437 30 10 IEEE CC(C)(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1287045584 LDIPKLKHZWCYDC-MRXNPFEDSA-N 446.577 2.004 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccncc1Cl 1288803325 RYDGGQJVQKPVNM-ZDUSSCGKSA-N 437.957 2.115 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1294896938 BZGCSTFAGIWWPL-VQTJNVASSA-N 438.532 2.495 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2Cc3ccc(C#N)cc3C2)cc1 1299941585 VXOFRCCWCSBOQI-IFMALSPDSA-N 439.537 2.348 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1300336418 HTUAYANWBVOSFD-IBGZPJMESA-N 429.565 2.340 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1300383821 IBPLDRLZYASTGX-LJQANCHMSA-N 425.533 2.378 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300468046 ROFKHFUWDIJGIX-UHFFFAOYSA-N 445.570 2.186 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2nsnc2c1 1300675067 JNBKRHVIYFYANW-UHFFFAOYSA-N 436.545 2.279 30 10 IEEE COc1ccncc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1300702509 RPMULUFJZJRCGI-RTWAWAEBSA-N 430.484 2.213 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300742553 NBRRFSURBNGDDU-KRWDZBQOSA-N 442.589 2.002 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1300767445 YIVGXXCWZURWHX-QGZVFWFLSA-N 430.603 2.201 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1300805426 CMYWEOLWSUPULW-GHTZIAJQSA-N 430.578 2.158 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C 1300895928 CFJGIGVGUGJJES-AABGKKOBSA-N 444.624 2.300 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1301071086 WRFQAOOKGVLQSF-OFNKIYASSA-N 433.597 2.322 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1301112722 ZKBCQFIVCBFSEE-UHFFFAOYSA-N 449.577 2.256 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNC(=O)C(C)C)C1 1301546795 UZJXKMHOLJGPOX-GOSISDBHSA-N 441.532 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CCC)nc2C)C1 1301556745 JBHDRNDLWBFSBM-IRXDYDNUSA-N 449.577 2.259 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1301951526 AOXMFKAUYRUKFW-MRXNPFEDSA-N 442.487 2.150 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1302459268 DFBIDCSWPQHFTF-PXNSSMCTSA-N 443.573 2.381 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](O)Cc3cccc(Cl)c3)C2=O)cc1 1303285858 GGRWRDRUAKMRFY-RTBURBONSA-N 440.887 2.136 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC(C)C 1304885794 CFPLQWPCGOYBQG-UHFFFAOYSA-N 437.504 2.495 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1314936827 CYQADLIAPZWWEW-UHFFFAOYSA-N 444.543 2.311 30 10 IEEE CO[C@@H](CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1315186279 VEYZGQMBGMFMCB-MSOLQXFVSA-N 449.481 2.408 30 10 IEEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1316032435 BKOATOSCRROWEP-ATZDWAIDSA-N 429.546 2.428 30 10 IEEE COCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1316063482 MSVZCQDWMLKKMM-FMQUCBEESA-N 444.923 2.131 30 10 IEEE COCCN1C[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1=O 1316121380 GHDRIEMXBUSBPQ-ZWKOTPCHSA-N 449.559 2.441 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1349830535 JZYJRKLURUUGKL-UHFFFAOYSA-N 443.481 2.144 30 10 IEEE C#CCCCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358916919 AQAQNYYCBCAKRA-YESZJQIVSA-N 430.553 2.164 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(F)(F)F)c1 1358949078 SFARRXNGIBYXDZ-OAHLLOKOSA-N 442.463 2.239 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C(C)C)N1CCOCC1 1358979455 NIHPTOBNFOVMCX-NZQKXSOJSA-N 449.555 2.220 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(N(C)C)CCSC1 1359021068 ANVBMCCJPHLLOO-QFIPXVFZSA-N 443.573 2.197 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ncccc2N(C)C)CC1 1359039661 QNUXEGSMINEIIJ-UHFFFAOYSA-N 449.534 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)COC)CC1 1359047805 UHFXQMGCYGQZAP-MISYRCLQSA-N 445.608 2.445 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359056971 PBQWNTGUVSUDDF-PMACEKPBSA-N 433.622 2.087 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1359272576 WSWANCRCYFUYDH-QGZVFWFLSA-N 437.591 2.208 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1359335224 DZKJUMDFKZUAMC-IYBDPMFKSA-N 438.525 2.211 30 10 IEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1359335904 YDTWAIFTAWOTMA-QGZVFWFLSA-N 447.586 2.208 30 10 IEEE COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1438911340 SMSVOSVCNNBESY-QAPCUYQASA-N 433.892 2.039 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 1443539534 WRXUVWJJSUOOST-XUTLUUPISA-N 443.866 2.410 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)s1 1444851693 NWNYJZUUGLXRTG-WMLDXEAASA-N 433.555 2.065 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(F)c(F)cc3C(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1456611232 FPLAIRWHMPZESD-LHSJRXKWSA-N 430.432 2.206 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1470474525 WHJAUANBEAHLTO-OAHLLOKOSA-N 429.514 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1471145618 VHDYRPVBCBEIOL-NHCUHLMSSA-N 439.560 2.362 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)CC2)cn1 1471717722 CHGSLOXJSNLDFE-KRWDZBQOSA-N 440.301 2.490 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@](C)(O)c1ccsc1 1499163915 CGXLZMMPLLXQLI-YCRPNKLZSA-N 438.561 2.186 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCN2C 1504888685 YHACCVBCJJAEDB-LJQANCHMSA-N 437.548 2.026 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)[C@@H](C)CC)CC1 1507723681 QKVWGEPSXXQCFK-XDHUDOTRSA-N 449.559 2.146 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507845023 VMVZINCUUJXENP-HZPDHXFCSA-N 445.486 2.270 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)CC 1508037682 ODAFLOKUDFGLHX-UHFFFAOYSA-N 439.358 2.163 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@H](C)c1nccs1 1508142740 VAZRTEJGHLHJFI-GJZGRUSLSA-N 425.580 2.079 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@](C)(O)C1CC1 1512365437 HPCUYSIKQFPJPC-MWTRTKDXSA-N 438.580 2.404 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(CCC#N)CC2CC2)c1 1517623683 OPJOPMKUIQSLJK-LJQANCHMSA-N 444.561 2.216 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccsc2)CCO1 1521137560 PMRPGWFHIVZJDH-HNNXBMFYSA-N 428.543 2.303 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539224428 GWTJHYCGKFXGQV-ICSRJNTNSA-N 447.649 2.368 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccn(CC)c1=O 1539399682 PIHLFKBUAFKZOK-UHFFFAOYSA-N 436.472 2.169 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)CN2CCCC2)CC1 1539454457 OQGNZABJXSNPFG-QFIPXVFZSA-N 436.604 2.387 30 10 IEEE C=C(Cl)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539819493 FPNSEETVHHPIDY-FQEVSTJZSA-N 438.960 2.065 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1540019148 CDPIHGIZJBHLSL-WMZOPIPTSA-N 426.583 2.372 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1540021237 ONLOVGJLCJCTTK-QFIPXVFZSA-N 432.569 2.234 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1)C1CC1 1540109500 QVQGHZMVDRINOS-HXUWFJFHSA-N 443.573 2.479 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1540872856 COGGIZAOKBYCJY-GOSISDBHSA-N 449.534 2.420 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)CCOC)C1 1540888191 LQZWVXCBVMCYRQ-VGSWGCGISA-N 430.505 2.243 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1541161932 VDBYJGHKIAGDRW-KRWDZBQOSA-N 428.512 2.328 30 10 IEEE CC1(C)[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)C[C@H]21 1541997502 GLSVEMIROZFMGQ-HZPDHXFCSA-N 448.449 2.499 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(N)=O)c1cccc(Br)c1 1544540636 JUDVLWMLUJNZMC-GJZGRUSLSA-N 438.322 2.398 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 1544785379 CNPBBBBGVHVDGY-AWEZNQCLSA-N 441.937 2.289 30 10 IEEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1544879831 SOIXSCZGMIUNNP-YLEKHRKWSA-N 444.536 2.050 30 10 IEEE CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1Cc1ccc(C#N)o1 1546536586 RSOLKIGNGAVJBR-UHFFFAOYSA-N 439.564 2.170 30 10 IEEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(F)(F)F)CCOC1 1547897243 RXGOKGGQUKZNHF-GOSISDBHSA-N 438.410 2.027 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(F)cc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1548084875 JTJNQFUSVWJVGK-VXPUYCOJSA-N 446.458 2.256 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1554150068 GGKDMEMCMPGEFG-GOSISDBHSA-N 439.545 2.011 30 10 IEEE COc1cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)ccc1C 1554748209 CCKSCWOBJOPKIR-HZPDHXFCSA-N 434.566 2.186 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)CC1 1555596893 CKYJYPWXYANRPD-KRWDZBQOSA-N 430.578 2.249 30 10 IEEE N#C[C@]1(C(=O)N2CCN(c3ncc(I)cn3)CC2)CC12CCCC2 1557851944 PJQQCAGFQJHKPG-KRWDZBQOSA-N 437.285 2.204 30 10 IEEE C=CCn1c(Sc2[nH]c(=O)n(C)c(=O)c2C#N)nnc1-c1ccc(Br)cc1 1559059647 YPUBVTNZWMMDQU-UHFFFAOYSA-N 445.302 2.303 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1587561364 DGFCNOQAORVNBY-HZPDHXFCSA-N 443.577 2.095 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCC 1588280975 VHUKQZRYJYMOEC-NRFANRHFSA-N 433.578 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)CCC(C)C)CC1 1588930396 VEHLSNNCFYAMLJ-GBXCKJPGSA-N 445.608 2.325 30 10 IEEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594739533 YNQDZTXOVRLPNU-UHFFFAOYSA-N 438.576 2.317 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595555867 JVIMKYYKWUQYPW-YADARESESA-N 439.560 2.254 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595838714 YLVCBDJCRAAKMZ-WBVHZDCISA-N 434.610 2.078 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(S(C)(=O)=O)c1 1624754575 GGJDCWCQXQVOJM-UHFFFAOYSA-N 429.502 2.490 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C#C)c2ccc(Br)cc2)c1 1625078361 WNIICKYQAMUJFI-GOSISDBHSA-N 431.311 2.465 30 10 IEEE N#CC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 1626359544 OTZGBPAJYHEDNS-KBPBESRZSA-N 434.396 2.099 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1632218994 QERRRTFPIXYJJY-QGZVFWFLSA-N 442.269 2.109 30 10 IEEE C=CC1(CC(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)CN(C(=O)OC(C)(C)C)C1 1632428961 FFRUADUOLVCGLI-AWEZNQCLSA-N 431.497 2.481 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)C1 1632528004 HYVPBHLBLZBORK-QAPCUYQASA-N 425.489 2.163 30 10 IEEE COC(=O)[C@@H](Cc1cncs1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1633892219 MAYNVVMDFCBKJT-QGZVFWFLSA-N 430.335 2.265 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC1 1635881833 GWDCRIGTZWOHLL-KPFFTGBYSA-N 431.537 2.072 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)[nH]2)c1 1635917343 ZLMJKFWNEGODIM-AZUAARDMSA-N 430.386 2.376 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1638018883 MOSXATNRICPWKS-UHFFFAOYSA-N 430.482 2.022 30 10 IEEE CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1638906646 ZEIJEEGIZKJUER-IBGZPJMESA-N 427.530 2.109 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2ccccc2)[C@H](CO)C1 1640324317 IOUGWRXMZOBRNV-RBUKOAKNSA-N 441.553 2.130 30 10 IEEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1NC(=O)c1cccs1 1640636410 FKTMFYFGIUPKOA-UHFFFAOYSA-N 435.465 2.140 30 10 IEEE C=CC1(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1643029124 NYNGFGXSAFVCAR-HOTGVXAUSA-N 439.553 2.286 30 10 IEEE C#CC1(F)CN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(OCC)cc3)cc2)C1 1644615723 IWMWAKZBGVDLHS-UHFFFAOYSA-N 446.500 2.473 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)c1 1651177861 FNGDSISIFCSGPB-NRFANRHFSA-N 438.484 2.248 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)c(Cl)cc21 1661210262 AYHROKPHCHVQHB-UHFFFAOYSA-N 445.932 2.027 30 10 IEEE C#CCN(C(=O)Nc1ccc(OCC(N)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1672423944 WYSPYBNLNYAZED-UHFFFAOYSA-N 430.505 2.417 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O)c1ccc(Br)cc1 1686919674 KCFCGKYUDYTWMZ-DOXZYTNZSA-N 433.306 2.286 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1689844769 IUEVNWYGDIVJRA-LJQANCHMSA-N 431.544 2.090 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1689875331 PVAMFDHGYJUNMY-INIZCTEOSA-N 425.599 2.476 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nn(C)c(=O)cc2C1 1689915002 MYQNOXAWQZXRHT-UHFFFAOYSA-N 442.321 2.106 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1689927953 FHUMETDRJWRQKM-FQEVSTJZSA-N 438.532 2.475 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1689947951 OZQOUYBFLBPYND-RCRUUEGKSA-N 430.574 2.315 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncc(CC)s1 1690039585 LGMFWJDVHUAPLJ-UHFFFAOYSA-N 443.540 2.451 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690102167 DYGLDUMTJXLNEE-HXUWFJFHSA-N 446.573 2.199 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1690206102 HQJZJFKWNSRMEI-MIZPHKNDSA-N 442.585 2.430 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690474134 SPNBUFXZRQQOFB-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690676206 SPQJIXOQBCUWDD-FXAWDEMLSA-N 441.532 2.173 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CC)C2)cc1 1690679991 FROOPQVDLMJGBJ-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)C1 1690812171 HTLBVOFLIYEELG-DOTOQJQBSA-N 443.577 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N1CCOCC1 1705576071 FBLMGZQSSFXKPL-QGZVFWFLSA-N 437.569 2.063 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1705604016 CXQVDVGNEDHHOT-KRWDZBQOSA-N 428.562 2.393 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc2cc(OC)ccc2n1C 1705618741 SIKVFRBYVKXAAA-KKSFZXQISA-N 438.532 2.405 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1705875719 DAPMLQVPIYCSON-LJQANCHMSA-N 449.552 2.171 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1 1705937440 TYINPJUNJOWQIQ-OAHLLOKOSA-N 425.505 2.346 30 10 IEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1707913518 GHTCSZOGSKXLTH-WOJBJXKFSA-N 437.592 2.280 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C 1711085450 HXTIREYJZYATFN-UXHICEINSA-N 442.589 2.028 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1711486354 GYYICBJLWJYMFN-QGZVFWFLSA-N 446.577 2.007 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722337776 APQIUCCAWYQACK-HXUWFJFHSA-N 434.544 2.340 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722363666 BCFMNZVKYLSHKY-WOJBJXKFSA-N 425.558 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 1722447750 NBKAKBYQXWGQLB-FQEVSTJZSA-N 437.544 2.113 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F 1722451288 IGZGVJCKADVXTB-OAHLLOKOSA-N 439.582 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)C1 1722492972 HQIAFIPVPUCJAM-LPHOPBHVSA-N 426.477 2.113 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722737255 YIGFJTBZYYNIMN-FQEVSTJZSA-N 436.582 2.147 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)[C@H](C)C1 1722783545 WYJWHQNBBBKROI-DYESRHJHSA-N 438.532 2.069 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCCO1 1726723771 DPEAHDRUPWQMEB-LJQANCHMSA-N 440.548 2.066 30 10 IEEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1727713103 BOZROGCBUXFLQH-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCCOC)cc1 1740532155 XWDJVFUKCAUAQC-SFHVURJKSA-N 425.533 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC1CC1 1740542864 CVLKROSSKGKCPX-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)COCCO1 1740609065 HORGJCXROPRSLO-JOCHJYFZSA-N 433.553 2.268 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1740663485 KGOOUCAENABOEA-QHCPKHFHSA-N 425.533 2.120 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCc1cnn(C)c1 1740685332 FANMKLFMXHXSEH-NRFANRHFSA-N 436.516 2.243 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(OC)C2CC2)CC1 1740700037 DBAPMYDZVHBHAP-DEOSSOPVSA-N 439.560 2.436 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740751717 NZLWBBZMJMYSRX-WFXMLNOXSA-N 430.597 2.173 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1740873321 PQSZWXRBUVRQFB-LJQANCHMSA-N 447.609 2.476 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](OCCOC)C1 1740954913 JDQHMRSCDYSJGV-GOSISDBHSA-N 436.516 2.037 30 10 IEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCS(=O)(=O)CC2)cc1 1740967475 HPZYBQHBQNDXJI-UHFFFAOYSA-N 439.541 2.112 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1741610113 OVFDPRZGGIREJT-FQEVSTJZSA-N 438.580 2.453 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741988309 NQTUAWSPRQGKRG-DMEQXSTQSA-N 439.520 2.176 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C(F)(F)F)O1 1743243784 DICZWZAZEVKTQC-WQVCFCJDSA-N 434.422 2.251 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@@H]1CC 1747372223 JOLQTOYRTFICNR-NRFANRHFSA-N 449.563 2.046 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1748714339 HMUFNNFHFUSYDN-SFHVURJKSA-N 425.537 2.101 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1748823808 BSPWSELWRLBWBM-LJQANCHMSA-N 446.555 2.164 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([S@@](C)=O)CC2)CC1 1748978124 NIPNTEQPUUMAFZ-NMEJYPJZSA-N 445.564 2.224 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](COC)C1 1749039242 RDCXPARFWKCZPR-GOSISDBHSA-N 441.605 2.291 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1749142205 SQWAHKWWAWXWKQ-GOSISDBHSA-N 442.539 2.400 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccsc1 1750021511 BVXPEEAZJRWUEM-APWZRJJASA-N 430.578 2.483 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2=O)cc1 1751097147 FLDICFLHAKEAIB-SFHVURJKSA-N 449.559 2.310 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)cc1C 1751538511 WISABORCNLCBSW-MRXNPFEDSA-N 447.499 2.327 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1760100689 XSGBLCXFCBECQT-SBUREZEXSA-N 425.533 2.138 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760140049 YPKNQLFGCNNVDP-UHFFFAOYSA-N 443.621 2.084 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760192862 YVIQKZLBMKZGCZ-QUCCMNQESA-N 430.574 2.115 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCSCC2)CCCC1 1760247818 QHUGZKSCVHLHBB-UHFFFAOYSA-N 443.621 2.126 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(C(=O)NC)C1 1760299588 AMMCZRXMBCNTMZ-SFHVURJKSA-N 441.374 2.068 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760322791 XOHMCOXTSJRCDL-HLIPFELVSA-N 427.553 2.219 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1760336358 XZNPZCCMLFEJNN-AZUAARDMSA-N 439.564 2.481 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760356681 UHOMBIOVLNXYDD-WMZOPIPTSA-N 444.511 2.404 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760356712 VMDXWBRGXUNZHT-IBGZPJMESA-N 427.553 2.422 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760360289 XRLGZMBALAMPRA-KRWDZBQOSA-N 425.599 2.074 30 10 IEEE C=C(Cl)Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760388339 QYSSWHJOFUKHGA-OKILXGFUSA-N 447.989 2.282 30 10 IEEE C=C(Cl)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760388390 SGNRVRPXNODLQM-FXAWDEMLSA-N 425.961 2.376 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1760526832 UXZOKMBCLURCCC-QHCPKHFHSA-N 425.533 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CCCOC1 1760552336 KPUWVRJSWKENLP-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760553323 APRIKJGCEMTTLO-QZTJIDSGSA-N 432.594 2.168 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H](C)C#N 1760690047 JNOMJAVIUGDJRK-IRXDYDNUSA-N 427.509 2.417 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1766823171 OPYBFHNHRYWYDS-BJFAEBDGSA-N 444.536 2.051 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1770335806 JGMUSEJOPPCVHT-MRXNPFEDSA-N 442.314 2.194 30 10 IEEE Cc1cc(C)c(C#N)c(C(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)n1 1851885816 QCBBLNBUPLPQOQ-UHFFFAOYSA-N 428.290 2.326 30 10 IEEE Cc1cc(C)c(C#N)c(NC(=O)[C@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1852582126 ZEIFDJWQPBFVHJ-JKSUJKDBSA-N 427.505 2.224 30 10 IEEE N#Cc1ccc(CC(=O)N2CCCC[C@@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)cc1 1854889829 CZNIKVHIWWHOBH-HXUWFJFHSA-N 425.920 2.490 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2cccc(OC)c2)cc1 1858965505 UVSFLUUUVVNKMB-FMIVXFBMSA-N 428.466 2.073 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2ccccc2F)c1=O 1861309134 ABPYOSAVCOFVIX-QFIPXVFZSA-N 449.482 2.385 30 10 IEEE C[C@@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)n1nc(-c2ccccc2)ccc1=O 1891416511 ZDCWJQLCKTWDMI-WMZOPIPTSA-N 430.468 2.203 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)C1 1891694745 SSZFIAFUCFRCQT-CZUORRHYSA-N 431.341 2.397 30 10 IEEE CN1C[C@H](C(=O)Nc2ccc(Br)cc2C#N)N(C(=O)OC(C)(C)C)CC1=O 2181148818 WUEDLYQJCQYMPU-CQSZACIVSA-N 437.294 2.337 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](O)[C@@H](N)C#Cc1ccccc1Br 2227477434 QOIGMIYMPPDMGW-BBWFWOEESA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243381696 LWTITMNPJCUNIB-IZPCHGGPSA-N 426.344 2.255 30 10 IEEE CC(C)(C)OC(=O)NCCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243386445 AHJXFZKZYGUWJO-UHFFFAOYSA-N 425.360 2.477 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243417540 UJTYFYROFFUBNM-HNNXBMFYSA-N 430.376 2.445 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247904768 CTUPXBNIIHDBFY-UHFFFAOYSA-N 429.351 2.173 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247906177 MCTYAULYMFUDLK-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE C#C[C@@]1(O)CCCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1 2248462969 KSJPWNRDANSOTE-XMMPIXPASA-N 428.529 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2255598311 OAJVXQCQNDYZBQ-OPAMFIHVSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2255627970 AXFASTKZOIBRHN-ZDUSSCGKSA-N 434.346 2.227 30 10 IEEE CCn1cc(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255648629 NGLQDYADIFETEZ-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696094 PESNTOWMSNEYTH-CQSZACIVSA-N 434.346 2.103 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)s2)OC1(C)C 2255704799 MQBMDWUZEJQIKF-HSZRJFAPSA-N 442.390 2.414 30 10 IEEE CC(C)(CO)N(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255951047 YIWRQSKEPATEPA-UHFFFAOYSA-N 446.378 2.343 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255953684 MOMXQSPOTCMGMW-CZUORRHYSA-N 432.326 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N[C@H]3CCC=C3B3OC(C)(C)C(C)(C)O3)[C@H]21 2256665480 MBFADVLFPXDFPN-YLFCFFPRSA-N 434.342 2.457 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267090391 CKOVRUCQFJOIGN-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267137917 UOXUDOBSIBHAAI-LPHOPBHVSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267147358 UHMQVDCBUZYXDX-CAJLXGCNSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267268321 SQCSKTILIBDWQO-GJZGRUSLSA-N 446.357 2.199 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267504659 VURUYIQYHAJXSC-UHFFFAOYSA-N 443.353 2.025 30 10 IEEE Cc1nn(C)c(C(=O)NCc2nccn2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267519223 GCVWKJPYOKNQQE-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267552990 WTIOFJQXRIKMBF-JKSUJKDBSA-N 446.357 2.342 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2268644129 KUDSIJDCIAYYBW-GOSISDBHSA-N 448.369 2.220 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2310283734 QDSFNIICTCHYOW-AKGYKNTHSA-N 436.358 2.203 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2328368996 NWTXQACCUOHOGP-UHFFFAOYSA-N 442.457 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(Nc1cc(Br)ccc1C#N)C(=O)O 2347978015 LKBZGWAEHJZRRI-GUYCJALGSA-N 426.267 2.480 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 27903288 OXBXPAZNFMXTTN-GOSISDBHSA-N 442.560 2.365 30 10 IEEE C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C\C(=O)O)ccc23)CC1 102765592 XPOFJEIXRRHOAE-RMUOZIPVSA-N 426.473 2.067 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1C 103089386 NDJKSXUAQBCRIF-AGGMBTAESA-N 437.496 2.153 30 10 IEEE O=C(O)CN1C(=O)C(=O)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 103121903 QHXDWCUTRDCIPI-SCDSTIRESA-N 427.325 2.009 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)c1 257183885 SOVWOQSCELFYNV-QGZVFWFLSA-N 445.483 2.314 30 10 IEEE C=CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 410066663 BNQQSDSUXTWPJN-AWEZNQCLSA-N 436.452 2.039 30 10 IEEE C=CC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 410074563 MFSFFYYZIADQOT-NWDGAFQWSA-N 437.381 2.107 30 10 IEEE Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)c1 433100019 CHZFGFTXSORIAH-UHFFFAOYSA-N 436.512 2.487 30 10 IEEE C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 441858974 BSXXQTPAKIYQAX-LJQANCHMSA-N 446.525 2.428 30 10 IEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460368973 JQODAQBYVMVYED-UHFFFAOYSA-N 426.546 2.397 30 10 IEEE COC(=O)c1ccccc1CC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 463234087 RSKKYRQKXNKROG-UHFFFAOYSA-N 427.526 2.468 30 10 IEEE CCOc1ccccc1[C@](N)(C(=O)N1CCN(c2cccc(C#N)n2)CC1)C(F)(F)F 471286535 FPRFFLBLPSLFHA-FQEVSTJZSA-N 433.434 2.417 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cncc(OCC3CCCC3)n2)CC1 475437675 CZTHBTDSAARNPD-UHFFFAOYSA-N 427.530 2.428 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 491975142 HNOVJCNTIFIZFF-ZDUSSCGKSA-N 427.461 2.071 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 525973684 LGWKUMMTOPXQIB-UHFFFAOYSA-N 428.514 2.001 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 534454139 FGSUHAILFHHHRI-OAHLLOKOSA-N 425.510 2.055 30 10 IEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 549638955 DXLZWBHHCXVOAU-UHFFFAOYSA-N 426.565 2.342 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@H]1CC 576971518 ZBQWQUSTKUNBBC-CVEARBPZSA-N 437.591 2.372 30 10 IEEE CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 726582816 SQYJFKCPCMWCSU-UHFFFAOYSA-N 448.548 2.292 30 10 IEEE CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Br)c1 730139210 PXXUZEWNMIYHHB-AWEZNQCLSA-N 427.368 2.468 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C)c(F)c3)c2=O)cn1 732562942 OZFVATFJBBUVNY-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@@H](C#N)C1)C2=O 732648188 AFNBFCLTRHPXTF-HRZDDSQGSA-N 429.565 2.102 30 10 IEEE C[C@H](CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1)/N=C1/NS(=O)(=O)c2ccccc21 742638740 PIUHQCGBZFEJDL-OAGGEKHMSA-N 437.587 2.017 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1C#N 746775646 MFXONBUMPIKNJZ-PXNSSMCTSA-N 427.549 2.089 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N4CCCCC4)cc3)CC2)o1 747003042 VNLHENYIWOIQTR-UHFFFAOYSA-N 437.500 2.351 30 10 IEEE C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1N)C(=O)N(CCC#N)c1ccc(F)cc1 750415714 JUGGJAASLIASFK-ZDUSSCGKSA-N 433.461 2.304 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCn2ccnn2)cc1 752530146 XMFPFYNTQWNEET-PTGBLXJZSA-N 433.538 2.083 30 10 IEEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(CC(C)(C)CN(C)C)c3=O)cc2s1 755048536 NLORJRWFTJLIIX-UHFFFAOYSA-N 437.594 2.442 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1COC[C@@H]1C(=O)O 757265851 BVLFVNJAONKNAX-FKBYEOEOSA-N 448.475 2.133 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 758577168 LJNVILOSAUVUTM-SJLPKXTDSA-N 443.548 2.265 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1nnnn1CC1CC1 769735122 JAHDCTJPXDZGNB-KRWDZBQOSA-N 439.545 2.192 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)[C@@H](O)c3ccc(C#N)cc3)cc2)C1 780895101 WKKMFNSOGKAUTG-IERDGZPVSA-N 427.526 2.329 30 10 IEEE N#C[C@@H](C(=O)/C=C/c1ccncn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 781450821 VGYYLNHHRVCTHD-UCFODXPJSA-N 439.497 2.012 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnc(OCC3CC3)cn2)cc1Br 793304073 OPTWBJAUIAVIEV-UHFFFAOYSA-N 437.275 2.018 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCc2cc(Cl)ccc2OCC#N)c1 795385052 IOPUZLTXIABMIW-UHFFFAOYSA-N 436.873 2.467 30 10 IEEE Cc1ccc(N(C(=O)COC(=O)c2cc(C#N)ccn2)[C@@H]2C=CS(=O)(=O)C2)cc1C 803846127 VEYAECAJRCCALW-GOSISDBHSA-N 425.466 2.071 30 10 IEEE CC(C)(C)OC(=O)NCC1(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1 807974896 XXTVEKVUMWYLFO-UHFFFAOYSA-N 438.550 2.410 30 10 IEEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(C#N)cc3C(F)(F)F)c2=O)cn1 811726723 GXBWLALAPQZJPP-UHFFFAOYSA-N 440.410 2.033 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(Cl)cc1 811960619 DSFOWIOJRDEMRF-QGZVFWFLSA-N 436.921 2.335 30 10 IEEE N#Cc1ccccc1NC(=S)NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1 915999589 IMICFAOOCFTYTF-UHFFFAOYSA-N 425.499 2.463 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)c1 1084381704 BFTZTOTZPJYUFA-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(C3CCOCC3)nn2C)cc1 1125203502 XTBPDPDBZADFEK-GFMRDNFCSA-N 445.545 2.379 30 10 IEEE COc1cc(N)c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Br 1137537862 YPAMHMKEPJUHQV-NSHDSACASA-N 431.294 2.052 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811047 CDKMHGCMFDASQC-INIZCTEOSA-N 438.488 2.170 30 10 IEEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1139865262 CGHLIMKRJPTAPQ-UHFFFAOYSA-N 428.986 2.102 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1153313371 KHMWOWIXGVJBBL-ZDUSSCGKSA-N 433.368 2.440 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)CC1 1155873132 KFZIQGOLDLKOFJ-PXNSSMCTSA-N 447.601 2.380 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1162634113 BMASMEGRXMZFIE-UHFFFAOYSA-N 444.553 2.420 30 10 IEEE CC(C)(CO)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1 1163443519 ZCPVGXNBVRQJRA-UYAOXDASSA-N 435.484 2.034 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 1168332555 ZJHCFEXBSYMONJ-SFHVURJKSA-N 428.897 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1168652588 FFJJXOFUUVDEJG-GAJHUEQPSA-N 426.517 2.455 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2c2ncc(Br)cn2)CC1 1176357017 XDZZQWJQNFULSD-DLBZAZTESA-N 435.370 2.068 30 10 IEEE Cn1cnnc1CC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1178381948 IYOQXKGLLCBWMO-OTQYULQBSA-N 442.564 2.383 30 10 IEEE O=C1C=COC2(CCN(C(=O)c3cccn4c(I)cnc34)CC2)C1 1179424071 ZFMFZUOGBPNMKR-UHFFFAOYSA-N 437.237 2.417 30 10 IEEE C#CCN(C(=O)NCCC1(CS(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1230883912 IPUMQDCWFYFLIZ-UHFFFAOYSA-N 441.594 2.246 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc(C)c1C#N 1264202382 VZJFUBXGARAENN-UHFFFAOYSA-N 428.470 2.230 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCS(C)(=O)=O 1286321639 STAMXMDACXCASA-UHFFFAOYSA-N 426.546 2.415 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286322377 BRSSFQAOWHBKTR-OALUTQOASA-N 434.548 2.352 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286323618 KIEVAJUOGFDIEM-IBGZPJMESA-N 435.576 2.241 30 10 IEEE C#CCCCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286336650 ZFVCUOMKNYNKES-HSZRJFAPSA-N 429.565 2.229 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1286384290 HIEJVQDZDPYEPW-PKOBYXMFSA-N 440.573 2.309 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286387264 PKYDHZAFNDTSSD-FOIQADDNSA-N 436.965 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1286431686 XMZORCHSHAYWJR-NQIIRXRSSA-N 446.555 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@@H](F)C2)CC1 1286492377 JJFADAOMZKJVBG-UYAOXDASSA-N 441.555 2.244 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)CC1 1286565541 PMAJDFKDNBZIDY-UYAOXDASSA-N 426.521 2.134 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286601236 JNKPNKRHEWMIMQ-UHFFFAOYSA-N 446.577 2.033 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC1 1288276230 HUDIZUFAGJMRRE-UHFFFAOYSA-N 432.550 2.045 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2([S@](C)=O)CC2)CCOC1 1288313249 RTSQIVQDVHFTEA-DTJDQUDZSA-N 435.594 2.360 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1291415719 OSGZTHTUTMDCAT-XLIONFOSSA-N 447.547 2.389 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1297361327 HLOVAHHHDYLOSA-SFHVURJKSA-N 446.577 2.009 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300752262 YBPWPTBBNAQBQQ-INIZCTEOSA-N 443.573 2.386 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1(C)C 1300807945 IDLNXALHEUKKKP-QGZVFWFLSA-N 429.546 2.255 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300863970 WXNLAMTWIKJSDW-XUXIUFHCSA-N 443.298 2.025 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1300897684 UCVJIVGUXGVWMY-ULQDDVLXSA-N 442.568 2.089 30 10 IEEE COC[C@H](F)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301084847 YHHAVFYECVPTNP-SJLPKXTDSA-N 444.511 2.027 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301491050 CNTCYACFJRBTFC-INIZCTEOSA-N 428.512 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1302785707 QRYWGDVQNGUEIW-RTBURBONSA-N 426.517 2.047 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1303939276 BYMCCHAPMFNMPR-RXVVDRJESA-N 428.562 2.219 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1CC(F)(F)C1 1305116123 BEOFDJSGTLSPSJ-CQSZACIVSA-N 430.459 2.441 30 10 IEEE C=CCOc1c(Cl)cc(CN(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 1308659360 QQUSQAISFPFLFZ-HNNXBMFYSA-N 430.954 2.039 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1309773529 FBSKMNVPGIYNIY-UHFFFAOYSA-N 437.370 2.200 30 10 IEEE CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312470141 NJIPCZIYZFRKRG-KBAYOESNSA-N 443.504 2.412 30 10 IEEE COC[C@H]1CCCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315877069 BWTHTLXBUBVKQK-XOMICKMZSA-N 439.520 2.053 30 10 IEEE COc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 1351755310 FFQPJMHIFIKPPC-MRXNPFEDSA-N 443.525 2.405 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@](C)(O)CCOC)c1 1358902462 OUSJARYRPBQWTE-QHCPKHFHSA-N 425.533 2.389 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1358932530 NUZNODOZUKDOTI-UHFFFAOYSA-N 427.574 2.296 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1358946469 WEKMPNIELZUOJT-MSOLQXFVSA-N 433.560 2.382 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ncccc1N(C)C 1358979635 SOFZWGRTKIBBLL-QFIPXVFZSA-N 428.496 2.373 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(N(C)C)CCSC1 1358979675 UFRXIVMEYXYCRA-NFBKMPQASA-N 437.569 2.301 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCS(C)(=O)=O 1359007467 KYPIKNORMXSHBB-UHFFFAOYSA-N 442.545 2.268 30 10 IEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC 1359058342 ZRYNJGHMLKOVKX-INIZCTEOSA-N 439.582 2.036 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1359058530 HJYDSFLIBAAZBO-UHFFFAOYSA-N 425.558 2.055 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359090003 SPFWNENEOHSNDG-OAGGEKHMSA-N 443.470 2.263 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359131235 MHEQDCQVTMTNBS-UHFFFAOYSA-N 446.559 2.465 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359132601 AXSGAASDDGQCMJ-SFHVURJKSA-N 431.516 2.368 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1359227745 KUDROEOBVMATQZ-LPHOPBHVSA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1359332685 DNSXSEMBPWOIRT-MOPGFXCFSA-N 448.593 2.038 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCNC2=O)CC1 1359345179 WHZRXMFWMDXOEV-UHFFFAOYSA-N 427.578 2.177 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)C1 1360038662 GUISOJVVJMDXCO-HXUWFJFHSA-N 426.569 2.165 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1cnc2c(Cl)cnn2c1 1360161855 HHINZCJQXYMJMA-CYBMUJFWSA-N 429.916 2.093 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC(C)(C)C1 1360480551 BQNJUPRZROSDFV-INIZCTEOSA-N 445.593 2.119 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 1458118553 HIQUDPIWHALHDL-LBPRGKRZSA-N 434.212 2.369 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1460323605 XOMDOXSNHCSEQP-ZHRRBRCNSA-N 432.542 2.467 30 10 IEEE COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1464432609 BKGGBOLTESOTGQ-UHFFFAOYSA-N 434.905 2.213 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1464619947 ULYSHAPFKMCBHR-HXUWFJFHSA-N 433.574 2.004 30 10 IEEE CN(C)CCN1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1=O 1469771557 JOLQRLNQILWFHW-UHFFFAOYSA-N 431.968 2.051 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(O)Cc2ccc(F)cc2)o1 1472623060 VJIDLTPWXKDPFT-OAHLLOKOSA-N 440.449 2.167 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]2C[C@@H]21 1478420525 YJTWYVSBWMKHLO-QRVBRYPASA-N 439.516 2.457 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1S(C)(=O)=O 1479274846 ALMBYNPLVALOPB-UHFFFAOYSA-N 428.558 2.278 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)CCS2(=O)=O 1479527322 SVXYKTGMYAEYGJ-LVIWNVNYSA-N 447.557 2.377 30 10 IEEE C[C@@H]1COCCN1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N 1494589436 DFRHNAFBEWWJFF-IAGOWNOFSA-N 426.521 2.175 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1500569399 RKQVTRIPGFTIJI-IAGOWNOFSA-N 426.521 2.428 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1503792268 CZZUDQIJTSQFQL-UHFFFAOYSA-N 446.515 2.181 30 10 IEEE C#CCCCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1507576628 YUPMEHLATQNLQA-HSZRJFAPSA-N 431.581 2.428 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507593739 UYODVACZVZVCIB-UHFFFAOYSA-N 443.939 2.305 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1occc1C 1507677620 DBWWTJJTYWAFAQ-UHFFFAOYSA-N 435.488 2.106 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Cl)cn1 1507686597 CWNVQIJRSUHHLB-UHFFFAOYSA-N 446.968 2.248 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(F)c2)CC1 1507718584 FFSXEBAXTCIBBU-XMMPIXPASA-N 441.551 2.456 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCCC)nc2)CC1 1507723981 BXMHYAGBMGTJST-UHFFFAOYSA-N 431.544 2.251 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(F)c(COC)c2)CC1 1507740837 GAXNGIXHFYBITM-UHFFFAOYSA-N 443.523 2.114 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1508076517 UQHARZUZDAONMP-UHFFFAOYSA-N 438.576 2.375 30 10 IEEE CCc1nnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513860926 LQMJRPXRNWMWFO-VCGVYRDQSA-N 449.559 2.078 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCc1ccccc1 1513925813 XXTZYYJMJNOGNL-GOSISDBHSA-N 432.532 2.434 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1518201711 AWWAVDOQYHTDJJ-VXKWHMMOSA-N 429.496 2.319 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1518941238 IUOTUECLBYVEJQ-HRAATJIYSA-N 448.483 2.482 30 10 IEEE CCCCc1ccc(N2C[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1525459224 HMBDNNFDGFFOPD-QGZVFWFLSA-N 436.516 2.452 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)c1ccccc1 1526564563 BENNZSDUDWDEIK-OAQYLSRUSA-N 441.553 2.126 30 10 IEEE CN(C)C(=O)[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(F)(F)F 1528148649 DZRMTRZCLFCYKB-DIFFPNOSSA-N 430.814 2.090 30 10 IEEE CCOC(=O)C(F)(F)[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1 1533955170 RJPAMFRFABSYJZ-INIZCTEOSA-N 428.457 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1cc(F)ccc1N1CCOCC1 1538972229 JUSPNJXVWKQPBN-ZWKOTPCHSA-N 445.539 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1538974008 QPXVDJUHFAZQSE-CHWSQXEVSA-N 425.555 2.256 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC(C)C)c1ccccc1OC 1539178844 KOCULTNQOGQGPX-YLJYHZDGSA-N 446.573 2.425 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1539206635 SSZBWWOKUXKTSP-NRFANRHFSA-N 429.590 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCOCC1 1539307438 SHAMZMPNPIVLLL-UHFFFAOYSA-N 443.910 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539325871 OZXRJENNSSVVKB-HXUWFJFHSA-N 426.609 2.272 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1539333394 CIVURORVUCIWJK-URXFXBBRSA-N 436.560 2.331 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539417929 ZRFOMUKNZOOQFV-NRFANRHFSA-N 444.539 2.403 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCCS2)n1 1539424949 ZHVVKVSKCYMYGY-SFHVURJKSA-N 438.561 2.113 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1540862834 KBEXUDIKOIALLH-INIZCTEOSA-N 428.512 2.195 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)CCOC1 1541877531 KUAFLDIQYYGSHD-QTEQDKRBSA-N 446.596 2.169 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)CCOC1 1541877534 KUAFLDIQYYGSHD-ZRCGQRJVSA-N 446.596 2.169 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)cc(OC)c1OC 1542479233 DNBLMLAXVGFDIG-LSDHHAIUSA-N 437.493 2.323 30 10 IEEE Cc1csc([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)n1 1542849318 DOAHZVIRTISSFW-SUMWQHHRSA-N 426.550 2.437 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)n1 1543692656 RGGOEPNZGWZPGH-UHFFFAOYSA-N 432.908 2.411 30 10 IEEE Cc1cccc([C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)N2CCOCC2)c1 1543821825 PXISTRDAWCIOEK-NRFANRHFSA-N 445.516 2.235 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn2)CC1 1544117912 FWGDITINRNUBJK-IBGZPJMESA-N 444.580 2.427 30 10 IEEE CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1545947733 CRFCDEFVJDGOMC-IERDGZPVSA-N 426.500 2.242 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCCS1(=O)=O 1546528797 CGDRITNRCQEKCE-QGZVFWFLSA-N 446.552 2.145 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1547833104 WEPMODSKBCXUSP-UHFFFAOYSA-N 438.532 2.355 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cccs2)CCOC1 1547883017 CMSAYPXNZBKQAF-NRFANRHFSA-N 444.561 2.162 30 10 IEEE CC[S@](=O)CCn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552442145 PYSZODYVLGZDTD-PMERELPUSA-N 442.570 2.234 30 10 IEEE CN(CCc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1554261235 VITNRJRXVFENPV-AWEZNQCLSA-N 431.543 2.434 30 10 IEEE Cn1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1554367092 HGNBDUQDKMDGQN-QGZVFWFLSA-N 433.904 2.238 30 10 IEEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1555488234 PTYFNHAMKHTDMO-IBGZPJMESA-N 429.546 2.257 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1555560652 QWKIVJDHCBKYDP-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CCO)c1ccc(Cl)c(F)c1 1557942312 UKROUTREENLUMX-MRXNPFEDSA-N 439.896 2.148 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)nc1 1558464829 OTSISDVJMAQPLG-QGZVFWFLSA-N 436.472 2.415 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1561551035 SIQUKYAPFBIFQY-JOCHJYFZSA-N 442.537 2.489 30 10 IEEE CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)nn1 1561775867 GXHNQIQCGNKGIX-UHFFFAOYSA-N 441.435 2.277 30 10 IEEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)CC3(C#N)CCCCC3)CCO2)cc1 1561780958 DJUHISDYBUOMQE-SFHVURJKSA-N 426.560 2.267 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1585625041 LPVGDPQCCNFAOI-KHORDMKYSA-N 435.402 2.108 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588029519 IQGOYADBNRMBSH-IBGZPJMESA-N 429.590 2.339 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588058926 FPCZCUSIAAUXEL-PMACEKPBSA-N 435.638 2.224 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1594733815 YRLRZZWNWZWJNH-MRXNPFEDSA-N 426.521 2.290 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1594799024 YCJBUFJAXPILLX-KRWDZBQOSA-N 441.532 2.366 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1594812657 IGTNPGGLRRGQJD-SJORKVTESA-N 432.525 2.459 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1594824957 STYODZMLIIKYOM-IBGZPJMESA-N 427.578 2.403 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1595501038 KBVWUDUJNQMNIA-UHFFFAOYSA-N 431.924 2.287 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)cc1 1598395492 XBLXHUGRUXMLQS-INIZCTEOSA-N 433.452 2.447 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1612144523 KBOJOVNJJWWJCX-WOJBJXKFSA-N 427.505 2.090 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCSc1ccc(S(=O)(=O)N2CCCC2)cn1 1613388704 GFKNHFOQDYJKJH-UHFFFAOYSA-N 441.534 2.258 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCCO[C@@H]1CCOC1 1617868518 DINDGSSSFWHJFO-HXUWFJFHSA-N 438.532 2.218 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COc2ccccc2O1 1619989566 HEPFSOUEGIVPFX-ZOCZFRKYSA-N 431.468 2.284 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cc2C1 1622593209 XOBGOSOADRNFPP-KRWDZBQOSA-N 445.570 2.185 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1624940627 UHZJHZZOUYNZBR-QGZVFWFLSA-N 443.552 2.262 30 10 IEEE CN(C)CCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1627068644 KMJZCZRONLWZLV-UHFFFAOYSA-N 433.505 2.383 30 10 IEEE CCOC(=O)C1([C@@H](C)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCOCC1 1627074790 QSBNQUJFJJNCKC-CVEARBPZSA-N 425.526 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1630720154 RCOYFFOPLFTITG-XJKSGUPXSA-N 446.508 2.173 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 1631546805 KDTQEICLMSDMSN-RDJZCZTQSA-N 435.546 2.116 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1632630121 ROWRXCXPZHLDIM-UHFFFAOYSA-N 442.541 2.072 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)s1 1639469053 PEIXOMMPALXOQF-ZWKOTPCHSA-N 448.566 2.170 30 10 IEEE C=CC1(CC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1643652287 OVVLFWRFKLCAAH-UHFFFAOYSA-N 429.583 2.166 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1OC 1651778336 KSZCAXOOWQQHKI-XSBJJCPUSA-N 445.541 2.395 30 10 IEEE COC(=O)c1ccc([C@H]2CCCCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1C 1655885504 BBUCZHROLPLCSB-TZIWHRDSSA-N 429.565 2.031 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCNc2ncccc2C(F)(F)F)c1 1661461600 IXEMSYQZTDWDHH-UHFFFAOYSA-N 428.436 2.407 30 10 IEEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)C1 1667266630 VTKYOTYDKIMPQH-UHFFFAOYSA-N 435.424 2.052 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccnn2Cc2ccc(OC)c(OC)c2OC)CC1 1671057732 RDVRKIWWLDWCBQ-UHFFFAOYSA-N 428.489 2.339 30 10 IEEE C#C[C@H](CCC)NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1674030616 HZHLCVRGEAYYII-HUUCEWRRSA-N 425.270 2.276 30 10 IEEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1674676507 QYRBIIMMAHQNFG-ZVZYQTTQSA-N 440.363 2.350 30 10 IEEE COc1ccc([C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)N(C)C)cc1OC 1675307923 CXWCJQFKBAZUFC-HXUWFJFHSA-N 438.532 2.105 30 10 IEEE CN(c1cccc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1)S(C)(=O)=O 1676677506 UGJDEEJUIZVIQC-NRFANRHFSA-N 441.557 2.002 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCC#C[C@@H]2CCCCO2)CC1 1682725758 PRZIJJWVBMPGFT-NQIIRXRSSA-N 447.601 2.487 30 10 IEEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1686181310 GIDZJTOKXMKGJO-JFIBYHEFSA-N 439.438 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCCSC)CC1 1690141720 BAXKFMSMDLWBPB-UHFFFAOYSA-N 429.594 2.178 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690175109 PYXTWLRYLDSDOC-CQSZACIVSA-N 435.491 2.171 30 10 IEEE C#CCSCCn1c(N(C)CC2COC(C)(C)OC2)nnc1[C@]1(OCC)CCOC1 1690185981 JFOTZRZPZVHARZ-NRFANRHFSA-N 438.594 2.132 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690676074 OZWUFOONRGDVHN-ICSRJNTNSA-N 425.533 2.473 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1690711672 GERMBNNKGQXLQL-NRFANRHFSA-N 433.516 2.486 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1690746645 FTMREQQPEVKGSY-QGZVFWFLSA-N 443.639 2.157 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCC(F)(F)C(F)F 1692527486 FARYJJWAWREXHB-KRWDZBQOSA-N 434.438 2.463 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCc2cccc(C(N)=O)c2)CCOC1 1692585783 MLHWQFNKFSMQCX-GAJHUEQPSA-N 440.548 2.399 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1696478045 RIDOXBPAUHCBAB-OAQYLSRUSA-N 429.546 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1705503546 YGQBWHPIEHXDPQ-CCWVLBSLSA-N 448.527 2.458 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705536309 MXPUPNLNFAQDRO-HXUWFJFHSA-N 449.603 2.247 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1705612655 LQKXSJIQZHOLAD-KRWDZBQOSA-N 432.546 2.117 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1705627487 HXORIZLOPPNUCH-JOCHJYFZSA-N 433.622 2.230 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705738797 KTBHDYHKUHJQSA-UHFFFAOYSA-N 437.548 2.475 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705739209 YJUCTXRWJOKJHX-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1705906639 LBWRVUDOLBZSTD-UHFFFAOYSA-N 437.548 2.454 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1705936337 OVTMMUNTWGNGSL-QZTJIDSGSA-N 446.573 2.385 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705942411 QZNDZWWBHPUEKQ-UHFFFAOYSA-N 432.594 2.412 30 10 IEEE C[C@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCOCC(F)F)C2 1706964501 KWTXRGGKEAFGBB-FQEVSTJZSA-N 432.431 2.129 30 10 IEEE C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1708038072 TWYFCUOPZJGKDW-KKSFZXQISA-N 431.562 2.239 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1cccc(OC)c1 1709136961 DPBAFSNXZBEHEW-UHFFFAOYSA-N 434.548 2.332 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1712254308 HZFZINFJTCEQAR-AZUAARDMSA-N 427.505 2.007 30 10 IEEE COCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1712395506 SXYGDICVMZHTBM-MGPUTAFESA-N 438.504 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1722297394 ZSVAACTYWNDALP-SESVDKBCSA-N 441.601 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H](C(C)C)N1CCOCC1 1722386458 YZRVPOMVFOSQSV-NRFANRHFSA-N 439.535 2.426 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722429027 MGIDICCNURVBNB-QGZVFWFLSA-N 433.553 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)CN2CCOCC2)CC1 1722432813 FSYYMZYSHXHJSZ-LJQANCHMSA-N 442.995 2.322 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1 1722452316 DTIZLPOSFRFPFT-UHFFFAOYSA-N 426.590 2.418 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1722629924 PWCOHAJDFJOSQK-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(NC(C)=O)CC2)cc1 1722706350 RSBPSLNPLKQGFP-UHFFFAOYSA-N 435.532 2.397 30 10 IEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1722775486 KVJLDBIEGAJLTE-UTKZUKDTSA-N 439.564 2.293 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1723678522 RTVCHZUAZGXPKB-FGZHOGPDSA-N 433.553 2.254 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1723778803 FIZFJFMHSWIZGV-AZUAARDMSA-N 436.564 2.102 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1731183322 YUVGGPWDDKXDMN-IFXJQAMLSA-N 431.859 2.029 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740582168 KYXIQUSPAPOZEF-XLIONFOSSA-N 445.589 2.470 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1740613011 QHUIQWGYXCAYKL-UHFFFAOYSA-N 432.484 2.364 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740718363 MYJNFBYVBNTFMW-HOTGVXAUSA-N 432.550 2.233 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740719738 QXTQBMCNDNKGFZ-KBXCAEBGSA-N 431.512 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1740734519 HIZQMFHVGUYNFL-JOCHJYFZSA-N 437.479 2.141 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 1740739257 QDJKRBFQIBWQLB-WDEREUQCSA-N 442.330 2.278 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740804621 BWBFPBRBGKEWFU-SJORKVTESA-N 449.964 2.349 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1 1740941311 HTOFLAILMCLERK-AWEZNQCLSA-N 426.443 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740990183 LCNAVLKHBGGZEB-UZLBHIALSA-N 443.573 2.245 30 10 IEEE CCOCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1747313823 AGNCELKOHWEVCV-HXUWFJFHSA-N 449.556 2.497 30 10 IEEE CN(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1747557977 DQPPNQMVJAGALX-RTWAWAEBSA-N 435.507 2.435 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1 1748686783 WTLVMOCFWZKREZ-OALUTQOASA-N 428.556 2.480 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@@H]1OC 1748776151 AUERMQUOMGRTJO-BEFAXECRSA-N 430.505 2.092 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817318 ISRWRYQTWFOSDR-WOPDUGCTSA-N 426.542 2.122 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748818097 VOSRBEHCUQYWHR-UXHICEINSA-N 435.638 2.368 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCSC2)CC1 1748994552 KACLVCANMCHNCP-QHCPKHFHSA-N 425.602 2.077 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@H]1C 1749149017 ODYMSRCSWQFGOG-GOSISDBHSA-N 437.552 2.044 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749235379 QEUTWAACSFIFDI-HSZRJFAPSA-N 443.596 2.033 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@]3(CCSC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750735233 CGBIDXPTRYYGRG-XDSRXIPYSA-N 430.578 2.336 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)cc1C 1751537430 BIVGDMDOCCHCEU-WMLDXEAASA-N 444.561 2.178 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760095313 LMEHKHLECHGWPS-CTNGQTDRSA-N 436.560 2.046 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760162358 RIGIFNMMYWPCFC-BVSLBCMMSA-N 442.608 2.312 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1CCOCC1 1760323970 HXUZCPDBAMRYJC-WIYYLYMNSA-N 446.621 2.383 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760522084 LRDTVOYTIXKODL-ZWKOTPCHSA-N 441.507 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNS(C)(=O)=O)C1 1760539316 MHZFJGGCZNFJQP-QGZVFWFLSA-N 439.969 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760555777 NFBNKDQBMAVKQU-SFHVURJKSA-N 437.610 2.422 30 10 IEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1760710254 JUWAMADMTWFWCR-RBUKOAKNSA-N 449.559 2.226 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCC2)C1 1760793815 PKBGGMMAWYAALA-IXDOHACOSA-N 446.552 2.083 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCCCCC1 1771112459 PHPXWRXVVIFYRM-IBGZPJMESA-N 432.569 2.331 30 10 IEEE N#Cc1cc2c(cc1CC(=O)OC[C@@H]1CCCN(S(=O)(=O)c3ccccc3)C1)OCO2 1852029025 ACQWIYDEBPTGEZ-MRXNPFEDSA-N 442.493 2.474 30 10 IEEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3cc(OCC(F)(F)F)ncn3)C2)CC1 1856151182 WPYJCGMUBSWJRU-CQSZACIVSA-N 425.411 2.032 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCn1ccnc1 1857033901 HMCWHTUEZSXPPP-KRWDZBQOSA-N 428.514 2.118 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCN1C(=O)c2ccccc2C1=O 1861528235 DELDVJNQIMNQJZ-XLIONFOSSA-N 443.544 2.111 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(C(=O)OC)cc1 1864727914 NZJOAPALFDUNRJ-IBGZPJMESA-N 445.479 2.359 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1CN(C)CCO 1870703113 QSIFPXPOPRWWNO-UHFFFAOYSA-N 435.908 2.138 30 10 IEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873594507 UVNJCCLEJJNXIM-QZTJIDSGSA-N 426.565 2.162 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2c[nH]c3ccccc23)CC1=O 1874273328 FILGWVFAKYLAPL-OKYTWDAHSA-N 439.545 2.333 30 10 IEEE O=S(=O)(NCC#CCN1CCOCC1)c1cc(Br)cc(C(F)(F)F)c1 1890237153 JDPJMOYAWKDTCO-UHFFFAOYSA-N 441.269 2.082 30 10 IEEE C[C@H](CCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900467016 OQMVCGSMENBJSI-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1993278734 WFDKBONJSXRGRO-HOTGVXAUSA-N 427.542 2.192 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2060623734 QDSFNIICTCHYOW-ABNIXYTCSA-N 436.358 2.203 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224132274 VZLSBJMFMHRJRA-KRWDZBQOSA-N 433.358 2.311 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@H](N)C#Cc1ccccc1Br 2227493777 RIQRDUHYWAJRQW-CVEARBPZSA-N 445.379 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917352 BLFQVGWQQMPXGA-ZLDLUXBVSA-N 435.355 2.180 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)OC(C)(C)C)C1 2255545378 PCMUEOGKNBUHPI-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630179 GSXSKPKKTSXHRC-UONOGXRCSA-N 434.346 2.179 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)n1 2255655176 IRTPBNRRVLRXTK-IBGZPJMESA-N 425.338 2.133 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 2267162119 LGBQLQPDISXNIJ-LJQANCHMSA-N 438.381 2.454 30 10 IEEE CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267183770 PYSJJIIFVOMLOC-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267216762 XJIOSNCMXZGGCX-MJGOQNOKSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267499127 ZPVWIPMLIVFKAQ-HOTGVXAUSA-N 448.325 2.039 30 10 IEEE COC(=O)[C@@H](CCNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267841288 MXIMITBHMPBPJG-QGZVFWFLSA-N 449.357 2.436 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268631044 SCIBULIKRNKLJY-LSDHHAIUSA-N 447.341 2.201 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268636031 YHKGXZOUPHCWBF-KDOFPFPSSA-N 446.353 2.102 30 10 IEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268639259 MXMVTEFTBPAEMA-IIDMSEBBSA-N 448.369 2.437 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2326878663 UJQMLWMUYYEDTO-UHFFFAOYSA-N 428.470 2.389 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2337033019 YNIUUWYPCURCMI-HSZRJFAPSA-N 447.385 2.285 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12618108 GBMUAJXIHCEXEC-UHFFFAOYSA-N 448.508 2.278 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)S(=O)(=O)CC(=O)Nc3ccccc3)cc21 19978422 PESZAIJNYAZFKQ-HNNXBMFYSA-N 442.493 2.223 30 10 IEEE COc1cc(C=Nn2c(S)nnc(C)c2=O)ccc1OCC(=O)Nc1ccc(C)cc1 254808828 ZWAMKDBMPAIRED-UHFFFAOYSA-N 439.497 2.452 30 10 IEEE CCN1CC[C@H](NS(=O)(=O)N(CCC#N)CCOC)[C@H]1c1ccc(Cl)c(F)c1 409481808 BTXCAKRNOQMHMI-ZWKOTPCHSA-N 432.949 2.311 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 438827599 CNYZTHVQXUCCLF-KRWDZBQOSA-N 435.297 2.417 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1csc(-c2ccccc2)n1 460619254 LFJJMNPDNSEFGV-UHFFFAOYSA-N 443.492 2.826 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2COCCO2)n1C[C@H]1CCCCO1 461871509 PPQXIZSNRCWDNW-RTWAWAEBSA-N 441.532 2.460 30 10 IEEE COc1cc(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)ccc1F 469331267 NCUSKQXFMZIDHX-UHFFFAOYSA-N 429.477 2.385 30 10 IEEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)cc2)c1 476791486 IPMMHZFGYBTFHP-NRFANRHFSA-N 448.479 2.185 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 477287433 PDVGDIHKSCCNOB-AOMKIAJQSA-N 425.510 2.273 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)ccc1Cl 500042538 XEQWPZLADBBRRB-UHFFFAOYSA-N 438.981 2.214 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 505799914 XNEVPYQCLHTUAT-QHCPKHFHSA-N 446.523 2.242 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508818152 QYEGSXUKFZLEQY-WDSOQIARSA-N 431.562 2.179 30 10 IEEE CC(C)(C)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 530519842 NSAYGNAKDZJFHH-UHFFFAOYSA-N 432.590 2.149 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCNC(=O)C[C@H]2c2ccccc2)CC1 537161743 WSBVWPAVMJQAJJ-GOTSBHOMSA-N 449.530 2.098 30 10 IEEE Cc1cccc([C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)N2CCOCC2)c1 544840157 PJHFDHKFTJMHSA-JOCHJYFZSA-N 434.544 2.167 30 10 IEEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 566592328 NFXJRMBZDVBWBV-AZUAARDMSA-N 432.933 2.052 30 10 IEEE COCCOc1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1OC 585721398 CLGIXTJRAIRQPR-MRXNPFEDSA-N 425.485 2.428 30 10 IEEE CC1(C(=O)NCCCN2CCCS2(=O)=O)CCN(c2ccc(Cl)cc2C#N)CC1 587073478 KPPFVSLANIXMMG-UHFFFAOYSA-N 438.981 2.360 30 10 IEEE C[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)N1C(=O)c2ccccc2C1=O 604533906 IANQHORNCUAXCU-HNNXBMFYSA-N 430.464 2.420 30 10 IEEE N#Cc1cccnc1NCCOC(=O)c1sccc1S(=O)(=O)NCc1ccco1 727776516 WZAKSHNRVKZHKT-UHFFFAOYSA-N 432.483 2.355 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(C)C)cc2)c1=O 730253128 RPQTYBDTNLSCOR-UHFFFAOYSA-N 440.565 2.463 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 747262889 KHLUZTOLMKQWAC-WEVVVXLNSA-N 426.498 2.087 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 758574687 BPTJPBYPDVGDIJ-LZWOXQAQSA-N 434.928 2.372 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cccnn2)C1=O 766418936 IELIZHDOTFPUNP-KRWDZBQOSA-N 446.964 2.330 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 768545843 FDPBDRLZVGNHTE-FCQUAONHSA-N 434.500 2.450 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCO[C@@H]2C1(C)C 782395466 GNQAQBFEILYMKY-MPTJYUOQSA-N 449.548 2.437 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1nnc(C2CCC2)n1C 783117451 MGGUMDRBCACHGN-HSZRJFAPSA-N 435.484 2.291 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 787995086 LZTJSDCNALFANC-WMZHIEFXSA-N 433.597 2.154 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)n1 789793312 IDRDXAKDRFUXSL-UHFFFAOYSA-N 447.289 2.053 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CCCC2 798746609 XDOQEUOUYVENPO-NEPJUHHUSA-N 445.501 2.398 30 10 IEEE COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798961173 RWHUUPQIWJLPGM-MRXNPFEDSA-N 432.484 2.355 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ncsc2Br)c1 808318889 CTYHTDKKSNQNCA-UHFFFAOYSA-N 434.315 2.393 30 10 IEEE C#CCN(c1nnc(-c2ncccc2C)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 812363253 VZSORFSSHMEIOI-INIZCTEOSA-N 427.555 2.385 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1COc2ccccc2O1 900863167 NLTPRPIYSFBMKS-RDJZCZTQSA-N 443.525 2.096 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccccc3F)n2N)c1 1084477451 SBBKBFJQBKOEDG-UHFFFAOYSA-N 442.480 2.266 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)CC1 1136107120 CMRBPGFXWPVTFC-UHFFFAOYSA-N 426.480 2.492 30 10 IEEE NS(=O)(=O)c1ccc(NCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c(F)c1 1137247182 VWWLQAHWFXMLAO-UHFFFAOYSA-N 429.395 2.072 30 10 IEEE N#Cc1ccc(C2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC(N)=O)CCCC2)cc1 1137272873 LUJQACFTGWRFQN-NRFANRHFSA-N 432.524 2.089 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 1156402207 HNDAZLOPAIAVQH-HZPDHXFCSA-N 435.546 2.086 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)nnc1-c1ccco1 1158084981 RMKHLJOZNZVNAB-GOEBONIOSA-N 436.559 2.384 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 1166616931 CJERPJSTJDFJAS-UHFFFAOYSA-N 434.518 2.162 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@](O)(c4ccccc4)C3)C2=O)cc1 1166873553 AVDFEYWFPXCKTA-RDPSFJRHSA-N 432.480 2.273 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)cc1 1168731973 VMXPVWXUNDXCQE-LJQANCHMSA-N 432.933 2.319 30 10 IEEE Cc1cc(F)c(C#N)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1177036727 ULLQAAZLFOZGLF-UHFFFAOYSA-N 433.461 2.474 30 10 IEEE N#Cc1cnc(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 1185188449 KPYDRBHIMNUTEO-UHFFFAOYSA-N 427.895 2.477 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNS(=O)(=O)CC(C)(C)CC#N 1211862460 DVNGABYVAVSURP-ZDUSSCGKSA-N 433.368 2.468 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286352143 WZHCSXGUPIYDEF-UHFFFAOYSA-N 434.588 2.335 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1286387008 MDTUHVUCMJRHCS-IRXDYDNUSA-N 431.587 2.253 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1-n1cccn1 1286469699 XAKBUORTMBERCT-UHFFFAOYSA-N 444.543 2.460 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(c2ccc(F)cc2)CC1 1286469717 XMEVOSKQMPVXQT-UHFFFAOYSA-N 425.508 2.357 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1286566891 KAISYPREGRYURX-QRWLVFNGSA-N 439.582 2.408 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2COCCO2)C1 1286811606 CYBDGPGWFOUOST-WOJBJXKFSA-N 430.505 2.062 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1286833161 WHRJOZQMVSGWNJ-QZTJIDSGSA-N 440.635 2.495 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCOC1 1296534816 ABAZBHYOHUDVIG-DHIUTWEWSA-N 441.532 2.244 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1297970318 FOQRSBZOHGYPAX-UHFFFAOYSA-N 431.500 2.348 30 10 IEEE C[C@H](CC(=O)N(C)CCOCc1ccc(C#N)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1298756887 SSVWCMJPBFKPKL-MRXNPFEDSA-N 440.525 2.051 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 1299999717 SKSMGEFKTXWABX-KSFYIVLOSA-N 428.489 2.329 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 1300017986 AKYBAOOZIJQPMW-HYBUGGRVSA-N 431.496 2.063 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1300267212 GDHDTROYQVJIKC-PZJWPPBQSA-N 438.576 2.256 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1300394656 VAOFTLOYMDGRAV-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300432276 UVEYQGPXBYSNRP-SFHVURJKSA-N 427.574 2.099 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCC 1300648055 DJHBTXRGCXAYNA-UHFFFAOYSA-N 437.523 2.445 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCC=CO2)n1 1300681480 RARVGKYUIWFWLR-WOJBJXKFSA-N 426.521 2.305 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@]2(CCOC2)C1 1300974673 KTNVDOHOVDYRAK-OAQYLSRUSA-N 429.477 2.442 30 10 IEEE COc1ccnc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1F 1300976230 JILTTXIHIWYUNK-UHFFFAOYSA-N 434.493 2.145 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301046850 FGZMAJQPVWFUPD-PXNSSMCTSA-N 442.539 2.491 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1301383380 HGHZJVQNILIOIN-HSZRJFAPSA-N 436.516 2.005 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1301499902 GPCFBJSPNKTPDW-ICSRJNTNSA-N 447.580 2.029 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(OC)c(C)c1 1301510518 YOOVTYXEZBDSFU-UHFFFAOYSA-N 437.548 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccon1 1301576806 ZVUBHRGISKJGOT-UHFFFAOYSA-N 432.462 2.079 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)CC(F)(F)F)cs1 1304675972 PQMWICYTMVCLPQ-HNNXBMFYSA-N 443.499 2.247 30 10 IEEE C[C@@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1304967531 DACUKBQZAPDCKZ-SSMANRBRSA-N 435.532 2.415 30 10 IEEE COc1ccc(COCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1315509149 UJJKNMDBCXFKAF-GCJKJVERSA-N 442.495 2.287 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358920525 APMUXAZARHNKTN-WMZOPIPTSA-N 429.496 2.312 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358964629 CLJQTHNVZXIAJW-YLJYHZDGSA-N 436.603 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H]1CCOC1 1358976775 QCHWXILCHJJHLE-GOSISDBHSA-N 430.512 2.174 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1359003154 AFZFTCQCSOTFCD-XMSQKQJNSA-N 444.557 2.146 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCn2ccnc21 1359019395 UJBAUOBZZAIYEW-WMZHIEFXSA-N 442.564 2.179 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)CCOC 1359073213 HCTIHHYLRVRJND-RTWAWAEBSA-N 431.562 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359294836 GQPITYLRLKRBBK-HXUWFJFHSA-N 449.559 2.252 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1359306726 OVQUONMHOKYTOZ-GOSISDBHSA-N 440.548 2.121 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1359426367 FIXGKDRGQMPSNT-UHFFFAOYSA-N 449.559 2.228 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1441944084 HCYPNZOCCJOOEF-UHFFFAOYSA-N 448.264 2.398 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454873988 CFNVSBYVNLRHLA-QGZVFWFLSA-N 448.495 2.192 30 10 IEEE CNC(=O)COc1cccc(CC(=O)Nc2ccc(C#N)cc2I)c1 1462865979 VUOKQKRPMJSOKM-UHFFFAOYSA-N 449.248 2.469 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1465029752 ATFPNVUTTXVFEI-ZCNNSNEGSA-N 448.608 2.132 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CCS1 1499696656 JPWMUHGCTBBRLQ-GOSISDBHSA-N 448.618 2.478 30 10 IEEE COCC1(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1504623687 GKGKORXZMHYQEA-OXQOHEQNSA-N 439.557 2.219 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H](C)O1 1505280685 GPAVWOODLKIDIN-IYBDPMFKSA-N 429.546 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1507651759 TUVMABSRNSGVSM-DEOSSOPVSA-N 440.551 2.410 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1OC 1507982873 PPFVMALNKSSJOF-UHFFFAOYSA-N 429.550 2.245 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508078593 ZZGVWOGIHCTHHL-PMACEKPBSA-N 425.533 2.194 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCOCC2)C1 1508111747 IGMRKXKNUSOZMO-LJQANCHMSA-N 427.549 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1508134471 FBRSWXBTDRUBFA-UHFFFAOYSA-N 444.460 2.154 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NC2CCCCC2)CCOC1 1509810867 ZRKAGHHDNNCVHG-FGZHOGPDSA-N 448.543 2.210 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N(C)C 1511262304 ATLVYUXLAIGQRK-UHFFFAOYSA-N 444.543 2.325 30 10 IEEE COCCCN(C)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519051770 WLZRLXQIAFWCQK-UHFFFAOYSA-N 441.580 2.370 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCn2cc(Cl)cn2)cc1 1521101325 BBDCNXOHPICAMS-UHFFFAOYSA-N 441.923 2.488 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)nc(Br)c2)CC1 1524477928 REZGZVXTYGJPRV-UHFFFAOYSA-N 429.112 2.208 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539140339 SXCQCPNIPIHNGS-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C[C@@H]1N(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1545139399 PAYIANXAFMPIAK-ZJYNUGOYSA-N 428.537 2.466 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)C[C@@H](C)C#N)C1 1547169935 GBOCDFZFYMHAIT-ROUUACIJSA-N 434.552 2.249 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOCC2(C)C)CCOC1 1547888116 FQBMNMMTDWXFPG-QHCPKHFHSA-N 446.596 2.171 30 10 IEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NC(C)C)cc(OC)c1OC 1554732837 CSJQUZPWQRSFNP-CQSZACIVSA-N 430.509 2.234 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CC#N)CC1=O 1555575065 JLEAIIKTWJUOIG-HUUCEWRRSA-N 431.928 2.227 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 1558417124 VEXVDJLIABPYAU-YADHBBJMSA-N 437.565 2.192 30 10 IEEE N#Cc1c(F)cc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1F 1559226129 DYLOMOONPLQYDC-UHFFFAOYSA-N 438.412 2.378 30 10 IEEE Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1560139210 YJYJWRGXZOTLAP-NGRWLJPCSA-N 446.473 2.421 30 10 IEEE CCN1CCN(C[C@H](C)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1565609399 OBXOGUJBHNNHMD-MRXNPFEDSA-N 448.409 2.147 30 10 IEEE COCCN(CC#N)C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1570083563 YWFDOPPJBVEXEH-UHFFFAOYSA-N 433.442 2.283 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1585105068 QFEWNWPWDUHISR-NHFXJNLRSA-N 425.485 2.371 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCC[C@@H]1CO 1587652053 UAEULDCUPFNCKQ-PZJWPPBQSA-N 435.576 2.211 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(O)CCC2)c1 1587692464 FDIIZCLELGGQSM-UHFFFAOYSA-N 430.512 2.235 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1587766243 RGGZLIPDDMUGTE-OALUTQOASA-N 430.578 2.330 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587777866 UAAVWHFSEBKLOM-QGZVFWFLSA-N 426.546 2.207 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587847007 AMKCJPRBTKKIMO-AVRDEDQJSA-N 435.576 2.051 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(C#N)s4)C3)[C@@H]2C1 1588148484 KSXDKRZATCUOCX-YUELXQCFSA-N 432.502 2.274 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1588250597 GUBLVBCWNHMJMH-FQEVSTJZSA-N 440.569 2.372 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1-n1cccn1 1588445103 GRAHNIPCNNJKQI-UHFFFAOYSA-N 446.540 2.358 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1snnc1C 1588559425 GOXPOXYDGFZAAG-UHFFFAOYSA-N 439.520 2.388 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@](C)(O)CCOC)CC1 1588750267 CCLUUIDPSJLEGZ-WZONZLPQSA-N 445.539 2.100 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1589171519 IKKIPSVZCNFNBI-ZGNKEGEESA-N 426.517 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1589506232 TXBGGKGHNZGTBW-QRFRQXIXSA-N 433.520 2.498 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1589662660 ADMILGLNTCCHAB-MRXNPFEDSA-N 446.556 2.166 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 1596547673 NWMJTXPSPDZXPG-OAQYLSRUSA-N 429.498 2.087 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1596822052 HEIHVFVZVNBPPY-LPHOPBHVSA-N 431.562 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1597039652 UNQAAYMQEMSJRX-FHWLQOOXSA-N 435.565 2.286 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1598129055 GUSNTXZUYXKDQG-UHFFFAOYSA-N 449.481 2.273 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1616735642 ZSRMNLUJLILBOU-MRXNPFEDSA-N 438.521 2.030 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1618755291 AKEFCURLGMBWHJ-UHFFFAOYSA-N 432.282 2.121 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1619873093 FVBDBVMQTVSRSV-MRXNPFEDSA-N 436.919 2.435 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1619985012 JGCNLALISRHJET-CVEARBPZSA-N 425.493 2.242 30 10 IEEE CSCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1620271405 DXGWYXUKCIQYKY-UHFFFAOYSA-N 448.618 2.432 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)(F)F)cc2)CCO1 1620354845 DGJWTCZMFQKQDT-HNNXBMFYSA-N 431.378 2.411 30 10 IEEE COC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]([C@@H]2CCCO2)C1 1620605224 CTSIYGLAKNEBKL-AHRSYUTCSA-N 437.500 2.115 30 10 IEEE CON=Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1624006045 SUOSBFOHIRPNID-SJORKVTESA-N 427.423 2.355 30 10 IEEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1628819890 DCQPQHKNNQNQEA-INIZCTEOSA-N 438.546 2.153 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCn3ncnc32)c1 1630497810 BWEHGOQFCPXWMY-QYODFIHFSA-N 430.534 2.387 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)n[nH]2)c1C 1632501159 NRLUZPXPBJVUBI-CRAIPNDOSA-N 444.536 2.176 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 1634888754 HLBBHZYEVJGOTB-KRWDZBQOSA-N 442.324 2.383 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)cc2n1 1635708643 WFOQTIMKOSYORY-SFHVURJKSA-N 425.876 2.488 30 10 IEEE Cc1cc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)nn1-c1cccc(C#N)c1 1636004276 TXXNZACFHAWFAT-UHFFFAOYSA-N 428.452 2.034 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(c3nc(-c4ccccc4)no3)C2)s1 1639080976 MXTRQSFDNNMPJI-UHFFFAOYSA-N 444.538 2.431 30 10 IEEE C=CCN(C)CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1640015679 GCUIUMVDOQSJHE-UHFFFAOYSA-N 432.384 2.036 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)Cc2ccccc21 1640695806 JPAYOTCPQICQOE-MODMUFLJSA-N 440.500 2.386 30 10 IEEE CCOC(=O)[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCOCC1 1645216522 CVNBCFZOARSUTM-LJQANCHMSA-N 426.435 2.121 30 10 IEEE CCn1c(CN(C)[C@@H]2CCC[C@@H]2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1647993261 JXMZCRSGKZKLAA-VQIMIIECSA-N 431.562 2.201 30 10 IEEE CCCCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1651226861 APOTVQWHKJAHNL-UHFFFAOYSA-N 425.551 2.098 30 10 IEEE Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1654154767 HRGHZQIFZRYTFO-QGZVFWFLSA-N 432.532 2.448 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3C(=O)N[C@@](C)(c4ccc(C#N)cc4)C3=O)O2)C1 1655973544 OMFHPXOAOMLGRQ-JTSKRJEESA-N 440.500 2.494 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1662049371 OBGQKRYKMKIDRE-LEWJYISDSA-N 445.493 2.443 30 10 IEEE C=CCOCCCNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1674464635 OSXPKUQHOWPXED-UHFFFAOYSA-N 439.354 2.308 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC3(CC2)CO[C@@H](CNC(=O)OC(C)(C)C)C3)nn1 1682167027 LKHXJNIVEZLXHP-QGZVFWFLSA-N 434.541 2.070 30 10 IEEE COc1cc(CNC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)ccc1C#N 1682344340 GBJQGUOVSKIBEM-QGZVFWFLSA-N 430.505 2.089 30 10 IEEE O=C(NCC#CCO)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1683603251 WTWUAFTWXCBJHK-RAXLEYEMSA-N 428.297 2.325 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1689916420 JKEPISAQXQBYMM-HSZRJFAPSA-N 442.516 2.380 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1689935889 WYMUPQNDCJVFIA-UHFFFAOYSA-N 433.560 2.022 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689983474 CDSAHUPDLVJGDI-ICSRJNTNSA-N 442.541 2.273 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1689993304 AMEOSOMYKPNDOD-SFHVURJKSA-N 445.614 2.176 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC1=CCc2ccc(OC)cc21 1690102514 NBBAAEPRJOGVTN-NRFANRHFSA-N 435.528 2.354 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cc(C)nn2C)CC1 1690117885 ZCJPEFHJTMPAPM-UHFFFAOYSA-N 439.951 2.453 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)CCCC)CC1 1690124224 HPOUZGGAYFBDRX-JOCHJYFZSA-N 438.576 2.278 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690319077 CBSISRGSVPDAOG-IBGZPJMESA-N 441.580 2.227 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690437492 FSGZEGKASHJTBN-GOSISDBHSA-N 426.569 2.298 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690749989 WFFMNPUVCDUXLD-IBGZPJMESA-N 426.594 2.236 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1 1695764587 DHVGYNAYTBYQJK-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE CCOc1cc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1696105543 HGHPXNJMPNCOOO-IBGZPJMESA-N 434.500 2.448 30 10 IEEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)cc1OC(F)F 1697451553 ZJIJYPJJKFPVAV-GXTWGEPZSA-N 434.447 2.483 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698386088 XKUCVKXQLGMKEK-XSAFGROZSA-N 446.577 2.030 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705528833 UYUKOBUOENECIV-INIZCTEOSA-N 425.489 2.407 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1705552520 BYASSDWWHNKDMS-KRWDZBQOSA-N 435.532 2.164 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705611260 VYRBKFUGPWWSJY-FQEVSTJZSA-N 430.560 2.405 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(=O)Nc2c(C)cccc2C)n1 1705631138 UODYDLHSKUVDIQ-UHFFFAOYSA-N 435.532 2.325 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705639490 PFHUOZOCMRBMED-RTBURBONSA-N 446.596 2.087 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC2(COC)CCC2)CC1 1705653130 ZRDBLJUDVIEMAZ-LJQANCHMSA-N 429.565 2.302 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1705669486 NUOJTAHEVPYEAL-TUACAJSNSA-N 445.608 2.279 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](OC)[C@H](OC)C1 1705732782 BXHDTRFTBSBUTG-BGYRXZFFSA-N 430.505 2.159 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC1CC1 1705857969 ODBLVSQJJYQEQX-UHFFFAOYSA-N 447.543 2.105 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1=CCCOC1 1706160439 YBNJNANPVBNNEN-MSOLQXFVSA-N 444.536 2.426 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1707575101 IFQBRSRIQKONJO-JOCHJYFZSA-N 439.495 2.212 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nncn1-c1ccccc1 1712529594 AVXTTWZCWNUSCO-IERDGZPVSA-N 440.483 2.073 30 10 IEEE N#CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC(F)F)CC1 1712881800 JGEYCPAYWSLSHE-UHFFFAOYSA-N 429.435 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCc2ccccc2C1 1722394794 GOUIJNLQEVYXJR-SANMLTNESA-N 447.583 2.451 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC(=O)NCCc1ccccc1 1722399793 SVTVHVXKGDAFSZ-UHFFFAOYSA-N 446.580 2.456 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(C)cn1 1722414865 IIQGPGWXXRAAHN-UHFFFAOYSA-N 446.603 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1 1722444497 YXOGYCVLICHOIA-UHFFFAOYSA-N 442.527 2.047 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCSCC(F)(F)F)CC1 1722448486 YIHXEADFBZBFSW-OAHLLOKOSA-N 445.511 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)OC(C)(C)C)CC1 1722448850 ZRMQFWCIWVEGCU-UHFFFAOYSA-N 444.580 2.426 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722465227 GMTWIWZAGJYFBJ-GOSISDBHSA-N 427.574 2.494 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1722588139 LGDYBWZYYUKFML-SFHVURJKSA-N 447.609 2.291 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCOC(C)(C)C 1722695301 YXEVEQOCIIQTGF-UHFFFAOYSA-N 429.521 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C(N)=O)CCOCC2)C1 1722716456 VHSPLVBFEQOESG-LJQANCHMSA-N 441.532 2.017 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)C1 1722722140 MVGCABFOBSMLHW-GEQKSPFYSA-N 428.533 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCOC[C@H]1C 1722727113 IQHZYLYGYWYHCW-MRXNPFEDSA-N 429.546 2.263 30 10 IEEE C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1723837364 DZWLKAOQUKILLL-UGKGYDQZSA-N 437.592 2.316 30 10 IEEE CC1(C)COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1724032448 RBGUXMOEXPBYJD-OAQYLSRUSA-N 443.483 2.406 30 10 IEEE Cc1nccnc1CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1725770847 FGJGWUZHBSHMGC-INIZCTEOSA-N 446.563 2.294 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1729634010 WOIXEOAYAZOOKW-INIZCTEOSA-N 428.537 2.362 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1730196660 UVQKNKXGCUDVOR-UHFFFAOYSA-N 436.472 2.080 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740572076 ZNHMNNQTFSHVAZ-JOCHJYFZSA-N 431.544 2.394 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740578533 CBPWDIBKDUYQBC-GOSISDBHSA-N 444.532 2.426 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1740615279 YXALVVOZNLLBEG-UHFFFAOYSA-N 439.994 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC1(S(C)(=O)=O)CC1 1740658237 INTCSOZXBMWWLH-UHFFFAOYSA-N 426.542 2.206 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](Cc2ccccc2)OC)CC1 1740698628 ZBMJORYXZVRSSV-QHCPKHFHSA-N 430.556 2.277 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN(C)C(C)C)CC1 1740708422 OWLPQPUUIIPYFL-UHFFFAOYSA-N 428.606 2.236 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740794510 CBOMVUWAUSAGOE-OAHLLOKOSA-N 435.466 2.397 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1741003449 VEHJBUPIGIPJLS-MOPGFXCFSA-N 432.594 2.420 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CC=CCC2)c1 1748692300 GBKXWKHZWOKVMI-OAQYLSRUSA-N 448.571 2.490 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748770549 BIXGXASTNWHLBJ-VWLOTQADSA-N 437.588 2.487 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1(=O)=O 1748882417 RGMSEKULGMEQDV-IBGZPJMESA-N 441.513 2.284 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1748906480 VINMGDSQQGCAMC-AZUAARDMSA-N 444.605 2.185 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2noc(CC)n2)CC1 1748992829 HMGLDAAOUOEREY-UHFFFAOYSA-N 441.486 2.090 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cnccc2OC)CC1 1748999987 JDJCVENGEQLYCC-UHFFFAOYSA-N 436.491 2.203 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749293955 JKCBQBQUUVOFRZ-OAHLLOKOSA-N 436.969 2.431 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(CC)s2)C1 1749717901 QKHBYIKDDFUWAV-INIZCTEOSA-N 428.566 2.383 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1749929752 NEKBIINYZZNQMW-ZHRRBRCNSA-N 445.520 2.289 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1760165761 DJCPXJJWOGJMJV-ZDUSSCGKSA-N 426.340 2.072 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1760186659 PWHXPNONDGTZES-GFCCVEGCSA-N 439.326 2.091 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1C1OCCO1 1760249769 SLGAKJHDABHAAS-IBGZPJMESA-N 426.517 2.352 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(=O)N(CC)CC)CC1 1760262133 IJFWRWLQQXLXBT-UHFFFAOYSA-N 440.567 2.412 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760303156 DTSKDDYZNJNOCS-GOSISDBHSA-N 447.293 2.478 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760321403 GFUWGOYFVINWNF-WMZHIEFXSA-N 444.624 2.393 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CCOC)C(=O)C1 1760325480 QAABDAZJZWXEAW-WIYYLYMNSA-N 445.589 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccccc2OCC)CC1 1760554424 DIZINMFDQPEYFW-UHFFFAOYSA-N 433.578 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3nccs3)C2)nnc1C(C)(C)C 1760558567 SIYGNFYBPUPBJM-AWEZNQCLSA-N 425.580 2.211 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760558842 BYUIFOYLMYGPHD-MHORFTMASA-N 426.583 2.085 30 10 IEEE CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1760585983 GUUSGNMVEPMDTF-UHFFFAOYSA-N 437.548 2.183 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)s1 1762484756 IHQURVGBJYPZOZ-UHFFFAOYSA-N 436.545 2.311 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1762715058 NLVFHOGJCREXBT-IAGOWNOFSA-N 431.562 2.360 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)C1 1766157615 DVYJRKGQNSONCS-GYOSKGTISA-N 441.532 2.272 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@](C)=O)CC2)cc1 1768577784 ICOFZYNOBITXMB-WRGVRERRSA-N 431.537 2.425 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1770427903 BWXSRRBPJNUIPD-INIZCTEOSA-N 431.562 2.441 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)CCn4cncn4)cc3)CC2)cc1 1851692233 NSPYHGYNRQFEJQ-UHFFFAOYSA-N 429.484 2.141 30 10 IEEE C=CCN(C(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)[C@@H]1CCN(C)C1=O 1852008473 IIRPTGGNYQYGKS-HXUWFJFHSA-N 436.560 2.070 30 10 IEEE CCc1ccc(-c2ccc(=O)n(CCC(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)n2)cc1 1852435167 NPVSLOOCLOUBST-FQEVSTJZSA-N 445.479 2.493 30 10 IEEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)ccc21 1857294844 BUPMHWFHERRFRB-UHFFFAOYSA-N 429.420 2.369 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862565335 VKWHTBNGRFLWDE-SFHVURJKSA-N 428.441 2.216 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(=O)OC)cc1 1862630908 DNDPVGUWRDECCZ-IBGZPJMESA-N 439.420 2.427 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(=O)O)cc1 1862739609 CCQQVWPJIQVVNN-DIFFPNOSSA-N 426.381 2.252 30 10 IEEE C=CCN1C(=O)c2cccc(OCC(=O)Nc3nc(C)c(C(=O)OCC)s3)c2C1=O 1865828368 WIQOOILXHCJRLV-UHFFFAOYSA-N 429.454 2.428 30 10 IEEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870156471 OVSOMKIJBWYAFI-UHFFFAOYSA-N 426.795 2.296 30 10 IEEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCC(N(C)C)CC2)cc1=O 1870562778 VYQJLNZZDSPLDL-UHFFFAOYSA-N 439.556 2.474 30 10 IEEE Cc1sc([C@@H](C#N)C(=O)CN(CCO)CCO)nc1-c1ccc(Br)cc1 1872799625 JJZGBVRYLQUVDB-HNNXBMFYSA-N 438.347 2.344 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(OC)c2)cc1 1874306782 OVVBOCZNPKKJRU-FSJBWODESA-N 441.513 2.246 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1F 1874433303 JQPQPNBRJKPRSX-ODCIPOBUSA-N 433.494 2.123 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cc(C)ccc1O 1874433856 AVDYEEJMMQZHOT-FOKLQQMPSA-N 444.561 2.351 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(F)c(F)cc3F)CC2)CC1 1890669693 HOKSTZOWWGQHHK-UHFFFAOYSA-N 437.506 2.295 30 10 IEEE Cc1ccc(=NCCNC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)[nH]n1 1891147371 HAFHFENCJABELC-UHFFFAOYSA-N 437.529 2.240 30 10 IEEE C=CCC1(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2009832398 ASOFBUVGROSGCB-AWEZNQCLSA-N 441.525 2.284 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CO1 2060638341 VUXQQBTXBOSFHM-MTSZKFMLSA-N 436.358 2.467 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1 2080358556 OMZOJSAQNPOYTG-LKKJXKEOSA-N 448.487 2.367 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124537282 XBUQEKWXMDOAEX-SFHVURJKSA-N 447.385 2.057 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128731577 WFSUTWBBUYGFQX-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE C#CCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O 2159131618 GFNFKGMPKURJCZ-SNVBAGLBSA-N 425.098 2.357 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC(OCCNC(=O)OC(C)(C)C)CC1 2247707067 DWAFSDBHFMMQRI-UHFFFAOYSA-N 427.361 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247934746 FHDFZIYSXOWNOJ-HXUWFJFHSA-N 440.371 2.053 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]23CO[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)C1 2255189528 JMVMPRZJIVIALL-XZNRZDIASA-N 449.548 2.234 30 10 IEEE Cc1ccnc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255636088 PMWRBVOCYVHEEM-UHFFFAOYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)n1 2256624209 LFIVAZFZUSPMPX-UHFFFAOYSA-N 447.326 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267093937 ZJNQDTXPSYIMFO-HUUCEWRRSA-N 446.357 2.038 30 10 IEEE Cn1nc(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267137111 KOWIBICJLSBXBG-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 2267154739 KSFGHMJONOYKDS-HUUCEWRRSA-N 448.373 2.330 30 10 IEEE CC1(C)CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267164954 YOOMIMVGNNBFNX-IBGZPJMESA-N 436.365 2.416 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 2267184249 TYUXHISLAFVPEU-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@@H]2CCO[C@H]2C1(C)C 2268649117 ATGUKKMAQCEETE-LNPFQXMTSA-N 448.369 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306823 OVUXYYOXYKPFJM-JKSUJKDBSA-N 437.321 2.302 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339448313 PDTMPFUEEKNEEC-INIZCTEOSA-N 443.309 2.277 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(F)cc3F)n[nH]2)cn1 59886636 PKSWQTRTYVCFPL-IFRROFPPSA-N 436.448 2.103 30 10 IEEE CC(C)(C)NC(=O)CN1CCC(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 431893051 ZUHOSDMXIDROPB-UHFFFAOYSA-N 426.970 2.117 30 10 IEEE C=C(C)C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 464546810 GWDHZPILZZLKJF-CYBMUJFWSA-N 441.937 2.106 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 466611239 TYDURYZDADHSAZ-KRWDZBQOSA-N 428.537 2.361 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1 472949559 HDJNWNSAALSZFY-DOMZBBRYSA-N 433.452 2.231 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 494238519 RLAVDGYUQVTUCW-CNNODRBYSA-N 449.958 2.033 30 10 IEEE N#CCCN(C(=O)CCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1)c1ccccc1 495832095 MEIIRJWZEULDEC-NRFANRHFSA-N 440.544 2.343 30 10 IEEE COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 499749951 MNNYCKGDUGHDHO-UHFFFAOYSA-N 426.242 2.466 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(c2cccnn2)CC1 506466845 DGEJHIPJKBXNTF-UHFFFAOYSA-N 446.305 2.237 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 508504671 AFTFVYDXRJZSMN-QGZVFWFLSA-N 441.561 2.174 30 10 IEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508869166 ZAVGHARWAGSBLD-KRWDZBQOSA-N 430.528 2.344 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 513772344 XQOOMNWLVXDORX-OAHLLOKOSA-N 436.534 2.262 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)o2)c1=O 523477916 MBWSRCFUJKUFQH-UHFFFAOYSA-N 438.505 2.242 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 578340519 MHLBAKYJHFHTQE-LJQANCHMSA-N 434.496 2.463 30 10 IEEE Cc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC[C@@H]2CCCO2)c1 586860784 QNKOEOBABWWLLL-IBGZPJMESA-N 425.460 2.496 30 10 IEEE CCOc1ccccc1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609043457 SHRKYHREHPBDIX-UHFFFAOYSA-N 442.541 2.216 30 10 IEEE C=CCNC(=O)CN1CCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)CC1 613388325 QIYCVHCVHYFHAQ-UHFFFAOYSA-N 436.343 2.272 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 669809352 RLPVWBIBXBUFAR-UHFFFAOYSA-N 449.559 2.463 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCC[C@H]1[C@H](O)C(F)(F)F 677833699 CUOMMXVGBDCXSS-WKEGUHRASA-N 425.276 2.360 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@H]1CCCO1 736587143 KWXCNFBKROWHEW-IUODEOHRSA-N 431.583 2.280 30 10 IEEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C#N)cc1 740177502 ZUUHXMFOMUVAGN-HXUWFJFHSA-N 430.482 2.301 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2CCCCC2)cc1 741341061 HNGRVFPXGDNYIX-QURGRASLSA-N 426.473 2.075 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)CC1 753899816 VURGCPZPLOGMFS-UHFFFAOYSA-N 443.548 2.436 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2ccoc2)c1=O 772305123 XRFKPQGWDJXBLU-UHFFFAOYSA-N 430.432 2.203 30 10 IEEE C#CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774236783 YRNBIYAYPUKYCV-QZTJIDSGSA-N 435.546 2.084 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)n1 789322481 JZKXZSAZRVDERI-BGYRXZFFSA-N 439.560 2.217 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCCc2cnn(C)c2)C1=O 790758144 AZEBYJSUUHPKBL-QGZVFWFLSA-N 448.618 2.114 30 10 IEEE C=CC[C@]1(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790772643 OSBODHTVTJVIHS-WMZHIEFXSA-N 437.581 2.282 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790841669 JJYXGFVYAKNNHU-NSHDSACASA-N 434.271 2.465 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(Br)cc([N+](=O)[O-])c1 791278942 NXKYRIJEALNXBU-UHFFFAOYSA-N 439.247 2.035 30 10 IEEE N#C[C@@H](C(=O)C[C@H]1CCCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 796628717 DEFALGDARMUWRQ-APWZRJJASA-N 433.530 2.325 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCO2)CCN1C1CC1 802683113 RUPSEUITDAWJFO-CVEARBPZSA-N 446.353 2.391 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCC(=O)N2 918358507 ZWUMGGJWTRCVFP-UHFFFAOYSA-N 442.497 2.255 30 10 IEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)cc1 1083965260 JUQVFJMWRBKGBC-UHFFFAOYSA-N 438.513 2.488 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1Cc3ccc(Br)cc3C(=O)O1)CC(=O)N2 1129604369 CKNXVEBWNFNFEN-MRXNPFEDSA-N 426.226 2.388 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)ccc1F 1134041855 NPRIQOBMVANBBA-UHFFFAOYSA-N 425.388 2.167 30 10 IEEE COC(=O)c1cnn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1134404253 GKYGHDHGXRJSHT-DTORHVGOSA-N 435.271 2.299 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCc4ccc(C#N)cc43)CS(=O)(=O)[C@@H]2C1 1138025972 ZPPWEMWUHLDBNS-ZHALLVOQSA-N 445.541 2.118 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1142127278 UNJATLHJBIFKKW-BSMWSGRKSA-N 436.434 2.049 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](c2ncccn2)C1 1155609119 BINKTENBLQFALK-AEFFLSMTSA-N 441.557 2.336 30 10 IEEE C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1175861583 NWQSDXUEWYREOL-SBUREZEXSA-N 428.533 2.275 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H]3CCCN(C)C3)nnc12 1183670015 MNDOCBXUKQLGQL-MRXNPFEDSA-N 440.573 2.170 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnnn1-c1ccccc1 1213712160 XUJGPQJYCNCMRD-UHFFFAOYSA-N 445.545 2.291 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 1254598892 JWEQQVNAFAIWDK-HOTGVXAUSA-N 428.938 2.214 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)c1occc1C 1286308288 HFVNHQRXQGNPBM-AOIWGVFYSA-N 429.521 2.182 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286386176 VZYUKYPFTYVWMX-RBUKOAKNSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1286388624 SLLFZXOXIQKNEL-SFHVURJKSA-N 441.582 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1286549009 VXIOUJUDOQFNCJ-QUCCMNQESA-N 446.596 2.092 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286603443 SSFJSUAYBIUSHK-KRWDZBQOSA-N 428.449 2.087 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CCCO)CC1 1286783845 NOIWBBSUTNYCDB-UHFFFAOYSA-N 441.532 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286821349 IARNRLBOXUSVLB-FXAWDEMLSA-N 447.580 2.282 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1286824217 XKDUARDEODHJBJ-JOCHJYFZSA-N 446.573 2.383 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)NC1CC1 1286964904 FUUVRMABGJZBBF-AWEZNQCLSA-N 434.504 2.249 30 10 IEEE N#Cc1cc(CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)ccn1 1297367544 YJSFAPFNPWMZQW-UHFFFAOYSA-N 430.205 2.329 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1300381283 AIVPDTJPDPTSKK-UHFFFAOYSA-N 428.512 2.304 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCCC1 1300456315 YXXRBMHEENCQGD-GOSISDBHSA-N 433.560 2.383 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300498106 GVKRALUVMSGEMH-LJQANCHMSA-N 447.630 2.280 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1300654317 WGIDAURPAHGHMU-SZVBFZGTSA-N 449.552 2.232 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCNc2nccc(C(F)(F)F)n2)CC1 1300682144 FGGQPAHHTVXCGD-OAHLLOKOSA-N 436.486 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1300726866 SGFRYWMBISDCQF-INIZCTEOSA-N 437.544 2.187 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)C1 1300870041 PEOSGLMLVIDSOA-MAUKXSAKSA-N 433.459 2.464 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301000236 NUBVTFYLLXOFOC-SFHVURJKSA-N 427.505 2.399 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1301252416 MZHAULMKGMZGPF-IAGOWNOFSA-N 448.568 2.173 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(O)CCC(F)(F)CC3)CC2)cc1 1301290551 CQZFDQWUQUKCGR-UHFFFAOYSA-N 441.500 2.016 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1301401935 HPNPXOCUXHISAF-ICSRJNTNSA-N 431.606 2.365 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCC(=O)NC1CC1 1302292729 CAMUZJDONFHWFT-BPXKWBHBSA-N 430.553 2.191 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCN1CCN(Cc2ccccc2)CC1 1307761537 TUIQARRYKONVII-UHFFFAOYSA-N 430.552 2.036 30 10 IEEE COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1308127522 CQZWILPECMRVKU-KGVIQGDOSA-N 449.573 2.174 30 10 IEEE COc1ccc(OC)c(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)c1 1315516546 DODDHIOIYLXVIO-MAUKXSAKSA-N 426.521 2.475 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(-n2cncn2)c1 1316272832 MKOKBWORMCFMNP-QRFRQXIXSA-N 436.520 2.369 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)c1 1356026626 QELJEYWBBVBBER-UHFFFAOYSA-N 439.537 2.238 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1cc(CO)nn1 1358880970 WOVUJEZVGUEXOK-AWEZNQCLSA-N 429.912 2.239 30 10 IEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)Cc1cnccn1 1358933043 GBTBNSDMFBRHIR-UHFFFAOYSA-N 444.587 2.483 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1358940180 QCPCOAMRTIQEIF-REWPJTCUSA-N 427.549 2.311 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1358995066 DELDTABSIJTIEC-IBGZPJMESA-N 428.533 2.296 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2C[C@H]2C)CC1 1359029044 MWOCTBMNCFNUAA-SJLPKXTDSA-N 426.952 2.273 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2ccc(C)cc2)CC1 1359047759 RZZKOYCCNSWTMJ-UHFFFAOYSA-N 425.533 2.168 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1359067738 ZOXSSGQCKFLLLO-PKTZIBPZSA-N 425.533 2.021 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1359097391 OIGLQXRADNMNNG-HOJAQTOUSA-N 430.553 2.290 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)(C)C 1359104343 AHTCEJOGDNCAHL-XEYPJELSSA-N 449.596 2.334 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1359189324 HGVGSNUWCFFBKZ-ULQDDVLXSA-N 437.610 2.448 30 10 IEEE C=CCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290886 UZWOSDPMXGNFML-MWDXBVQZSA-N 430.553 2.292 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)C1 1359322890 DRDJMSGZLYFWMQ-NRFANRHFSA-N 439.608 2.071 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4[C@@](C(F)(F)F)(CCCS4(=O)=O)C3)n2)c1 1439989712 CYGQXLFOUUGZBJ-SJLPKXTDSA-N 438.431 2.326 30 10 IEEE C#CCN1CCC(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1450027742 GRMGDGOYEAHOSJ-SFHVURJKSA-N 431.602 2.077 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nnc(C3CCOCC3)s2)s1 1450420487 YXQGSUOALYAATL-UHFFFAOYSA-N 428.561 2.139 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1457997096 QXXPVMNXSOXXRY-VXKWHMMOSA-N 437.537 2.486 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2cncc(Br)c2)c1 1458023904 FFNBMVMMJLWMCI-QGZVFWFLSA-N 449.330 2.358 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 1462839621 LHFVGJWOEBGHIK-HNNXBMFYSA-N 444.513 2.182 30 10 IEEE COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1F 1467410828 GYLQIRRXMWGALB-CYBMUJFWSA-N 449.435 2.194 30 10 IEEE COC(=O)[C@H]1CCc2sc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)nc2C1 1469190178 ZVGIVJMNHOFJJD-JTQLQIEISA-N 437.474 2.110 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)cc1 1470293394 LKMGKVPQIJPKEH-LJQANCHMSA-N 449.573 2.316 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1474960547 CIHKWYOOVHXDSY-FQEVSTJZSA-N 443.525 2.018 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1478504660 PBVNUONUOZPMDS-CWRNSKLLSA-N 428.352 2.141 30 10 IEEE C#C[C@H](NC(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1)C1CCOCC1 1479007691 MOAGOVJPSLZYEX-PMACEKPBSA-N 433.936 2.310 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCOC)CC1 1502311822 ZWAVSMVOMMYZNK-LJQANCHMSA-N 425.581 2.315 30 10 IEEE COc1ncccc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1504456985 CMSBMXCMEOHFKO-LJQANCHMSA-N 447.499 2.328 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NC(C)C 1507531343 DEXIGMJVZLRNLW-MRXNPFEDSA-N 432.569 2.375 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2Cc2ccc(C(N)=O)nc2)c1 1507548719 VKLIVNYTAOINDT-INIZCTEOSA-N 445.527 2.390 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507631577 FMZOXADJVKFODO-NHCUHLMSSA-N 442.585 2.464 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1COc2ccccc2O1 1507661068 LWRJOVQHJHZTIW-CYFREDJKSA-N 436.512 2.233 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCOc2ccc(OC)cc2)CC1 1507732360 UTBFUHYAWLGZBB-IBGZPJMESA-N 425.533 2.015 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1507800470 VRBVUVWITHAHMQ-OTWHNJEPSA-N 433.553 2.432 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1507876419 GISULRRWRDTEPQ-IBGZPJMESA-N 439.564 2.439 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(=O)NC)c2)C1 1508121959 HCMOYDJOUPRONC-UXHICEINSA-N 425.533 2.166 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1508124009 NVXOUIUWZCODQE-WMZOPIPTSA-N 428.512 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2)CC1 1508137943 UERYFBDZDQKSGU-UHFFFAOYSA-N 426.546 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(CC)[C@H](C)C1 1508144683 RTSRQZSFTNRDCK-QGZVFWFLSA-N 435.569 2.139 30 10 IEEE CC(C)NC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509756595 IUHLTSBQNWVWTP-UHFFFAOYSA-N 449.490 2.068 30 10 IEEE Cc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1511023571 VREYLEYHUDYDQF-UWJYYQICSA-N 447.536 2.400 30 10 IEEE CCc1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513890485 QISVOMMWAZGNPF-VEGAHXMMSA-N 435.532 2.448 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1515972487 JRFBJOAWUNRSSV-QFIPXVFZSA-N 432.569 2.221 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccccc2)CCOC1 1516229077 PGDOIEWMGCVNED-UGKGYDQZSA-N 427.505 2.128 30 10 IEEE CN(C)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1516986457 DCXBPBGHRMZSGD-HXUWFJFHSA-N 443.483 2.406 30 10 IEEE COc1cc(C)nc(N2CCN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)CC2)n1 1517960210 XVXHRPWCYQOLFH-UHFFFAOYSA-N 436.520 2.423 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1519515749 UKSWSVKTIMYGML-YJBOKZPZSA-N 433.534 2.089 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3nn(C)cc3I)CC2)o1 1532444538 VUQFYVLCCOAGAO-UHFFFAOYSA-N 440.245 2.048 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1539014701 MXIKDMSTNCIWDK-IAGOWNOFSA-N 428.558 2.379 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1539028799 DAGTZRMQVNOTBU-HOTGVXAUSA-N 429.546 2.271 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCOCCN(C)C 1539246612 NWLIIQHWRGKCNQ-UHFFFAOYSA-N 430.350 2.359 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1539261149 ZFBZQHMQSKTYAA-SFHVURJKSA-N 429.528 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC1(F)F 1539295629 DHWDQTCQPIGNDO-CVEARBPZSA-N 427.521 2.177 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1539384111 WUKSWBPEMXHCIT-RSYVUFJRSA-N 440.548 2.183 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(CC)C(C)C)CC1 1539435969 FLYVUFRFCQSTOP-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1539462921 PUMATQLZDUCRLV-MLNNCEHLSA-N 445.608 2.209 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(N)=O)c1 1539533795 HMTFMUQVWHFXSX-HSZRJFAPSA-N 429.484 2.065 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1539538673 LJIWPKRYXJHDHU-OPAMFIHVSA-N 445.589 2.156 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1539558153 BUPRQJJXSRGVLU-XMMPIXPASA-N 430.512 2.412 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1540869903 ACPLUNREIRHEEM-NHCUHLMSSA-N 444.624 2.423 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1540877837 HIZFAYYLYLVJBE-VQTJNVASSA-N 425.533 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540894439 XUWHWXRFDOYIJL-ICSRJNTNSA-N 430.574 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1540908894 QORZYLOAPZGTEA-RDJZCZTQSA-N 440.591 2.443 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1541888462 BIZSRUZJMUWYDN-CQSZACIVSA-N 428.493 2.268 30 10 IEEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCC1 1542020424 TWGDFSBEEBZLQZ-UHFFFAOYSA-N 438.532 2.390 30 10 IEEE COc1cccc(C(F)(F)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1543121231 HCVIHMNYTQCYDR-UHFFFAOYSA-N 435.452 2.192 30 10 IEEE Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543174690 CSZROSJBYJELHE-FMQUCBEESA-N 437.460 2.190 30 10 IEEE CNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)c1 1554413008 IFDGBEDEWGBZEW-UHFFFAOYSA-N 435.532 2.052 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(CCOc2ccccc2)nnc1N1CC=CCC1 1556022687 LILYXUKMCBNIBH-QURGRASLSA-N 434.500 2.192 30 10 IEEE Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1558465105 WZIJYCQIKOSRFD-ATASCALFSA-N 432.463 2.489 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2Cc3ccccc3OC3(CCOCC3)C2)CC1 1560136389 RLQVBFDIZHBJIT-OAQYLSRUSA-N 426.561 2.123 30 10 IEEE Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)CC2 1584693628 IFWUAJRJLJPSEM-FXAWDEMLSA-N 436.516 2.424 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 1585593489 HHQCEGREJPHCCJ-UHFFFAOYSA-N 426.510 2.273 30 10 IEEE COc1ccc(C(=O)NCC#CCN(C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 1587079271 YZSZCKVKIFLCGY-UHFFFAOYSA-N 449.960 2.122 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1587567474 GJQMWFLBPYPYIO-MWTRTKDXSA-N 444.532 2.462 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCC(N)=O)CC1 1587822713 BFLPGRILNUQLGC-UHFFFAOYSA-N 443.573 2.244 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)C1=O 1587823277 FQIMRPNOAGJYGU-OAHLLOKOSA-N 434.290 2.310 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588034660 JZPAOUPRYAFGEV-AZUAARDMSA-N 444.557 2.150 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1588049360 FLBCTPURGCMWOE-KRWDZBQOSA-N 434.949 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc2c(c1)OCO2 1588251895 ZPZWTPFLLOOCNW-UHFFFAOYSA-N 446.511 2.410 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1588459250 PUSXIWOLDKDYGT-DPFRCYKMSA-N 447.580 2.438 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1588550163 JLWTVVAXLMRBCV-RTBURBONSA-N 446.548 2.386 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1589069024 HPIRPAVNIKQWKB-MOPGFXCFSA-N 446.598 2.125 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC1(S(C)(=O)=O)CC1 1595100596 RLZVXFTYGUDTKQ-IBGZPJMESA-N 441.557 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)Nc2ccccc2)C1 1595665386 SZOAAAVQUDZFDC-LJQANCHMSA-N 438.532 2.324 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1596485405 ZGYQKSIVQFMJLY-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1611294233 JSERWWMSIPZQFX-AWEZNQCLSA-N 441.916 2.264 30 10 IEEE CC1=C(C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1611835435 RGEPCYYDVQYVGI-DPPKGPFUSA-N 426.521 2.245 30 10 IEEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1612624001 AEJGIKNBQIYIMQ-SFHVURJKSA-N 440.529 2.288 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1614299789 DGAQJWAIZHPQPQ-WOJBJXKFSA-N 438.532 2.117 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1619251037 RDRNMPGXDCQNCH-QZTJIDSGSA-N 427.505 2.161 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCOC2)CCO1 1620354739 KNWVSQXBTMBEIJ-NVXWUHKLSA-N 432.912 2.165 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(CCN2CCOCC2)CC1 1622141182 GKQXVYKYJOBTKY-UHFFFAOYSA-N 442.379 2.444 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)CCC1 1622789287 INEMXENJIKHMEF-MRXNPFEDSA-N 433.530 2.328 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1624078175 WLQFLTUVJZXPMZ-GOSISDBHSA-N 430.530 2.411 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)CC1 1631963659 BWQQPSRYLHHQRW-HSZRJFAPSA-N 427.549 2.454 30 10 IEEE C=CC[C@]1(C(=O)NCCS(=O)(=O)C2CCOCC2)CCCN1C(=O)OC(C)(C)C 1635924073 HCEMUFLOMMMBKB-HXUWFJFHSA-N 430.567 2.042 30 10 IEEE O=C(N[C@H]1CCN(O)C1=O)c1cc(I)ccc1N1CCCCC1 1641378593 ALIWSPGDZQJODU-ZDUSSCGKSA-N 429.258 2.001 30 10 IEEE N#CCCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CC1 1642915662 HCRPUELEGOKFOE-UHFFFAOYSA-N 438.553 2.500 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C(=O)OC 1643610957 TXQNGBQMHHEOBK-SFHVURJKSA-N 432.498 2.108 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(-c4nncnn4)cc3)ccc2c1=O 1648898141 WJKSBMHXAHCECD-UHFFFAOYSA-N 431.481 2.048 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1649141999 ORSQNOOQECKCJM-CSMYWGQOSA-N 438.468 2.216 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1649538273 QCUSERZXZSUZGW-JTAQYXEDSA-N 433.597 2.278 30 10 IEEE N#Cc1ccc(C2(NCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CCOCC2)cc1 1659750708 IWXUORDKBQNBKE-UHFFFAOYSA-N 428.439 2.187 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 1667322056 MBUYZUCZQSFZIR-QGZVFWFLSA-N 447.517 2.359 30 10 IEEE C=CCc1cc(CNC(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)cc(OC)c1OC 1673118637 UNSDXLGKZQOSCI-UHFFFAOYSA-N 438.484 2.305 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 1681325670 IALXTFYLEYKEAG-UHFFFAOYSA-N 448.589 2.035 30 10 IEEE C[C@H]1CN([C@@H](C)CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C[C@@H](C)O1 1682312829 WBNGBDCDIVQITJ-GBESFXJTSA-N 436.560 2.436 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCOCC1 1684717776 BAICCUUDTCDSGE-UHFFFAOYSA-N 442.541 2.176 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1689826043 HGLURDXFFZKFCF-CHWSQXEVSA-N 440.367 2.157 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1C 1690033435 XIHCBAJPMHGVHK-QGZVFWFLSA-N 431.537 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(OCC(N)=O)c1 1690042872 GUUSKNMFJDWIFD-UHFFFAOYSA-N 428.496 2.024 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1690077252 LKWZEFPRWQRNRR-GOSISDBHSA-N 443.552 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690135062 PCSPPJUGPQAYMH-JSXRDJHFSA-N 445.608 2.003 30 10 IEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690738399 LICKCNRPDAVAPP-UHFFFAOYSA-N 442.589 2.038 30 10 IEEE CC(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1692618065 BWJMCPBPLPUBAD-AQNXPRMDSA-N 443.573 2.349 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1695356154 FHLBLEIURPRPOM-AZUAARDMSA-N 442.589 2.172 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1695429955 DZIUGMXEISGSHU-UHFFFAOYSA-N 449.559 2.228 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1698294387 HOIJWNORXSTQBJ-QGZVFWFLSA-N 426.502 2.257 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@@H]1OC 1705548140 XHGFOKZEAOHVNY-SJORKVTESA-N 430.578 2.431 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705575300 FXJOQWWOHTUSEL-UZLBHIALSA-N 444.333 2.447 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1705674968 CFAZERPFDIRYIV-JOCHJYFZSA-N 427.936 2.373 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1705880533 IKHNGMCPMAQNDC-AZUAARDMSA-N 440.548 2.316 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC(=O)N2)C1 1705917247 SHSYOUNPAJZWDX-IAGOWNOFSA-N 427.505 2.022 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1705935374 PEGGBLSGHLLZGR-UHFFFAOYSA-N 439.626 2.209 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 1705937408 SNQZFMCRHCDBDB-QFIPXVFZSA-N 430.574 2.281 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1706068497 LQONFNPXFDPGNM-AEFFLSMTSA-N 447.561 2.140 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1706220075 OSUONLZARQXEGY-HXUWFJFHSA-N 449.559 2.084 30 10 IEEE CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C#N)CC2)COC1 1706962458 OZRYZAVKDIKMJX-KRWDZBQOSA-N 446.552 2.363 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCOC2)cc1OC 1710521787 VELPUAKSPCGNKN-SFHVURJKSA-N 425.489 2.428 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)COC)CCO1 1711360286 FMYKVVHUWUUKMU-IBGZPJMESA-N 440.548 2.221 30 10 IEEE N#Cc1c(F)cccc1N1CCN(c2nnc(-c3ccc[nH]3)n2CCOCCCO)CC1 1712877445 LLQYWXOTKGMYPP-UHFFFAOYSA-N 439.495 2.010 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1Cl 1722396462 IQHLFBMAJIESHQ-QGZVFWFLSA-N 446.960 2.376 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1722413001 GZSQHRNGOQETDP-QGZVFWFLSA-N 433.553 2.351 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1722629100 FKZINGFULYIBIB-IBGZPJMESA-N 430.574 2.377 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1722668246 NKOVXAXDHSCUCT-GOSISDBHSA-N 445.589 2.248 30 10 IEEE C=CCn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@]1(OCC)CCOC1 1722689433 QVNSLQHYPPFXHU-ZHRRBRCNSA-N 430.505 2.187 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCC2)C1 1722730673 ZKXYMMLGUHHQGJ-UHFFFAOYSA-N 449.602 2.251 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC#N)CC1 1724053846 DBRMGGSNZRZAIU-UHFFFAOYSA-N 441.536 2.268 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@H](C)C1 1729066359 BOTDYHZBLRSCSS-IBGZPJMESA-N 438.580 2.140 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCSC1 1729369121 DODSWAFZLWPIMZ-YTQUADARSA-N 429.546 2.210 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)C1=O 1729593204 CYLOWXGWIGXKSL-FDDCHVKYSA-N 438.532 2.070 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)c(OC)c1 1730872716 DPCXSFRDZMUMEE-HOCLYGCPSA-N 435.912 2.441 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1740613886 XEPXJEDRZVVOFR-LJQANCHMSA-N 444.486 2.154 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1740636779 CROKMBJJLUCZTJ-GOSISDBHSA-N 435.553 2.477 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc2c(c1)OCO2 1740678698 PXCAAMQJTVCTJS-UHFFFAOYSA-N 441.532 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1740705128 BJWWJAJIDJPHGP-HNNXBMFYSA-N 426.590 2.436 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740817378 ZDLDXRIQZMJLKA-HXUWFJFHSA-N 425.961 2.376 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cccs1 1740951235 DHGBHLTUEZAGOU-CQSZACIVSA-N 425.518 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740956750 ZSWGMFCWPBXAOM-AWEZNQCLSA-N 440.445 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOC2(CCC2)C1 1740992817 OFPOVEHIAIFYBJ-UHFFFAOYSA-N 446.573 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C)CC2)nnc1[C@]1(OCC)CCOC1 1740993453 BDMJHVCUUNDMMQ-PXNSSMCTSA-N 426.583 2.157 30 10 IEEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1745782839 LGKWTTQJZGNZJI-NRFANRHFSA-N 427.509 2.052 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1748132895 DXHFTBMTVZFKCR-UKPGIYTDSA-N 440.573 2.080 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1748789181 XCJVAQLCQJVJCZ-KRWDZBQOSA-N 433.553 2.004 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1748818023 UQPWLOGALCDBGA-QGZVFWFLSA-N 433.603 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)COC)CC1 1749015535 YCAABKIPZYYDFD-QGZVFWFLSA-N 427.524 2.256 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccc(F)cc1 1749590184 RNXSWVQGEJFOAI-JOCHJYFZSA-N 431.512 2.200 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749762163 RGZLCLXNXXIAKT-IBGZPJMESA-N 425.562 2.495 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(N)=O)cc1 1749831072 VIBJGHOVIRXNGD-QGZVFWFLSA-N 427.509 2.077 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1750379679 WOIZZFGJIXATOG-CRAIPNDOSA-N 430.450 2.326 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc2[nH]ccc2c1 1751216322 CDOYOFFZGDDDAM-VBKZILBWSA-N 445.524 2.054 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760126703 GWHIDFVBYYCADB-KNJMJIDISA-N 433.597 2.348 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760218870 OUHVFYLVBHVREV-INIZCTEOSA-N 437.491 2.405 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1760446870 GBMZNYCTQCOTBX-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760520036 AJPQIHGCEDALTN-LJQANCHMSA-N 440.454 2.498 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 1760522785 YSGWAMZPWFWVFK-UHFFFAOYSA-N 426.565 2.110 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 1760554380 BPZQACOIXGJRPH-OAHLLOKOSA-N 425.580 2.112 30 10 IEEE CC(C)(C)NC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1760772650 ABOYUBIEEZJXEH-QFIPXVFZSA-N 438.511 2.263 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCCCC1 1768237018 BZKZELYTKGATJE-UHFFFAOYSA-N 438.532 2.404 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1768659493 DHMFAGSHGKGZPC-MOPGFXCFSA-N 427.530 2.033 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1769094327 DTJCWEVAGNZLRG-UHFFFAOYSA-N 448.531 2.212 30 10 IEEE COCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1770153996 YERGDTWQVBGQPN-RBUKOAKNSA-N 429.521 2.427 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1770309595 HUQKJCSXQOKIFS-GOSISDBHSA-N 429.546 2.311 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)cc1 1771534507 DGVCDFDWVGNQGQ-FQEVSTJZSA-N 435.532 2.068 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1772660093 IFYSKZKNQJPAGF-UHFFFAOYSA-N 429.502 2.015 30 10 IEEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1 1851474023 LOQMHZIQYPYYOX-MRXNPFEDSA-N 436.516 2.024 30 10 IEEE Cc1ccc(S(=O)(=O)C[C@@H](COc2ccc(C#N)cc2)OCCN2CCOCC2)cc1 1851844093 BHDYNZZGLNTUAO-JOCHJYFZSA-N 444.553 2.437 30 10 IEEE CCCN(C(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852514487 YHRXFIUOIONMDU-QGZVFWFLSA-N 436.516 2.218 30 10 IEEE Cc1[nH]nc2c1[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2C(=O)[C@H]1CN2CCN1CC2 1852809603 XZVSSOUWZIXRMW-NQIIRXRSSA-N 446.555 2.235 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(OC)c2)cc1 1862692590 PDQRVMOGDDJJRJ-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE C=CCN1C(=O)C(NC[C@@H]2COc3ccccc3O2)=C(c2ccc(OC)cc2OC)C1=O 1863753419 ADOBDEALTFWSNS-MRXNPFEDSA-N 436.464 2.399 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc3[nH]ncc3c2)c([N+](=O)[O-])cc1OC 1870156739 BQSCSYBLRKJTMQ-UHFFFAOYSA-N 434.372 2.193 30 10 IEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)COCc3ccccc3)cc2)CC1 1870158433 WRFHCIUWKRLRJB-UHFFFAOYSA-N 431.500 2.046 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CSCCO 1870194488 UJDWHBQTYUDKNB-UHFFFAOYSA-N 449.485 2.194 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871690900 RNYBAUZKTCOPHH-UHFFFAOYSA-N 428.537 2.229 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(NC(C)=O)cc2)cc2c(NCCNC(C)=O)ncnc21 1873633938 MCDWNYVJWCAZCF-UHFFFAOYSA-N 435.488 2.376 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231132 BBEISHBZFGYSAF-HXUWFJFHSA-N 438.532 2.102 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)c1 1890113091 KDHLUSAWIBRKES-AZUAARDMSA-N 440.525 2.095 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2023133573 SWNLDTGIBPHAJE-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124542694 IGWSFORJDOXRQB-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C#CBr)C1 2174694323 XWDQLKOZHKMABV-GJZGRUSLSA-N 442.354 2.097 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212241053 WCPXXHITHMZFIO-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2227474869 SUZSZSIFPXGFJU-JTDSTZFVSA-N 425.323 2.043 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247903146 FELIGLHSBZGXCN-HRCADAONSA-N 442.387 2.349 30 10 IEEE CC(C)(C)OC(=O)N1CC(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248398863 WYPMLTNBYFOXJE-UHFFFAOYSA-N 437.371 2.316 30 10 IEEE C=C(CS(=O)(=O)N[C@@H](C(=O)O)[C@H](C)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2248583777 ZEYAWIFPEUWQDS-DOTOQJQBSA-N 439.339 2.152 30 10 IEEE CC(C)(C)OC(=O)N1CC(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(=O)O)C1 2254804773 HGBYUKICEJASFD-UHFFFAOYSA-N 437.277 2.006 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)n1 2255633692 FUCMKHXBFQIHHK-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255887391 ZBOOOCJMSCJBTM-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE CN(C)C[C@@H](CNC(=O)OC(C)(C)C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256927894 HJISTDHKVDRFCH-OAHLLOKOSA-N 439.337 2.354 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267139010 ABZMBCFEEZJKKE-UKRRQHHQSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267162090 KXNBNFOQCZHIHI-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164556 TUDVNAOODMCRLB-INIZCTEOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267181586 ULAHYBZYTIQOIQ-OAHLLOKOSA-N 447.316 2.425 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267500065 CUFPEQZBFOUURM-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268630048 FPUBFWQMGAUQDI-JKSUJKDBSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268640897 ZSFPTUUVRCSYGD-SFHVURJKSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@H](O)C#Cc1ccc(Br)cc1 2278792865 FUEYGHDQDXWIEG-HZPDHXFCSA-N 446.363 2.490 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322299395 NMDHWRMASROZHF-NWDGAFQWSA-N 431.239 2.413 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@H]32)n1 2337025148 IFHWGVGMNXZDMO-FGTMMUONSA-N 445.369 2.418 30 10 IEEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339536322 LBENZRKOPUZWAZ-UHFFFAOYSA-N 444.341 2.295 30 10 IEEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1 20527646 AQJOCAYCBNQTIB-SSDVNMTOSA-N 428.497 2.374 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)cc1 20905782 JUQVFJMWRBKGBC-YDZHTSKRSA-N 438.513 2.488 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2c(F)cccc2F)n1N 21319811 JNVGOQPDBABRPB-LSFURLLWSA-N 433.444 2.456 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2ccccc2)n[nH]1 59888081 WDVKXPFRTNQOHI-UDWIEESQSA-N 428.522 2.177 30 10 IEEE C[C@H]1CCCN(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)C1 253576396 VUAWMDNSJAUHML-SXUYUPPPSA-N 448.465 2.418 30 10 IEEE CSCC[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)c2ccccc2C1=O 461304119 UWZBYKUURZPJQP-SFHVURJKSA-N 446.492 2.495 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc1C 465004302 VSYAHJAKZHGZFX-CQSZACIVSA-N 428.518 2.488 30 10 IEEE COc1ccccc1N1CC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 465276006 LAPJOQZZYHRKKX-IEBWSBKVSA-N 447.495 2.167 30 10 IEEE N#Cc1ccc(OCCN=c2cc(NCCOc3ccc(C#N)cc3)n3[nH]cnc3n2)cc1 480061758 QGOBUFPLLFVCEA-UHFFFAOYSA-N 440.467 2.271 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 499695787 GYYURRXKVVOHPI-OXJNMPFZSA-N 447.513 2.146 30 10 IEEE COc1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccc1S(=O)(=O)N(C)C 503637298 ZDSJQNGHWUWDAH-IBGZPJMESA-N 425.507 2.146 30 10 IEEE CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505792365 FUKQWJAIVXMVLR-QHCPKHFHSA-N 436.597 2.191 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 506485889 JIEYQWXRDDVCQH-QHCPKHFHSA-N 434.581 2.089 30 10 IEEE COc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)NCc1ccccn1 507840010 FJGJNMKTUMIPKS-UHFFFAOYSA-N 428.514 2.335 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)c(OC)c1OC 522674078 QECFWZIZWKMZLO-UHFFFAOYSA-N 440.521 2.143 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)CC1 532740270 HYVOZKRSMMRNII-JOCHJYFZSA-N 428.577 2.059 30 10 IEEE CSc1nnc(CCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)n1CC(C)C 546220333 UXXQFKOFLWIBJI-UHFFFAOYSA-N 442.593 2.387 30 10 IEEE CCOC(=O)c1cc(NC(=O)NCc2ccc(C#N)c(OC)c2)cc(S(C)(=O)=O)c1 583964737 ZNEHNRIKCHCHPB-UHFFFAOYSA-N 431.470 2.469 30 10 IEEE N#Cc1cc2c(nc1NC[C@H]1CCCCN1CCn1nc3c(cc1=O)COCC3)CCCC2 585627730 VSOQQBVXCKTQJH-OAQYLSRUSA-N 448.571 2.428 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)/C=C/c1ccccc1)N1C(=O)c2ccccc2C1=O 585831846 YXUJGHRPFQCCHL-JBPXFVITSA-N 431.492 2.048 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 588132114 DSSWMIOMRSMKTF-PCTKPUDWSA-N 435.343 2.108 30 10 IEEE CCN1CCN(c2ccc(C(=O)N=c3nc(C)[nH]n3-c3ccc(C#N)cc3)cc2F)CC1 610232807 MANZIFDXOQZUTQ-UHFFFAOYSA-N 433.491 2.403 30 10 IEEE CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)N2CCOc3ccccc32)cc1 731767792 KVBLJISLQWQWCV-SFHVURJKSA-N 448.479 2.242 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccc(OC)cc3)c2=O)cn1 732560891 BHLPOFXLKXYSSY-UHFFFAOYSA-N 448.548 2.055 30 10 IEEE CN(CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCN(c2ccccc2F)C1=O 732800114 XWCDAMVLPDVMSO-CVDCTZTESA-N 435.459 2.159 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](C)C(C)C)cn1 739401856 MJQVNJSHVDTRTB-DOTOQJQBSA-N 435.594 2.382 30 10 IEEE C=CCn1c(-c2cccnc2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747829246 ROSMTTDPYPZXBK-LUKYLMHMSA-N 443.529 2.045 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](O)C(=O)O 757279923 XZXZTYSDGKATFO-LEWJYISDSA-N 438.480 2.422 30 10 IEEE C#CC[C@@H](NC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1)C(=O)O 757304184 DUTYPHPVOWOORH-PXDATVDWSA-N 448.475 2.277 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 772899155 SWJXKEUSKGAUBT-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCc1cc(Cl)ccc1OCC#N 775912599 VBJFFENLQZFGTG-UHFFFAOYSA-N 440.861 2.264 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2Cl)N(CCCn2ccnn2)C1=O 784127632 YQOITWHVPDGDHZ-HNNXBMFYSA-N 436.925 2.098 30 10 IEEE C=CCn1nnn(CN2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1=S 787235054 HKTSAGFHCFALKR-UHFFFAOYSA-N 443.360 2.483 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)n1 788997391 OHBBYZRYEYLFNV-SFHVURJKSA-N 429.908 2.133 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 789148427 XTPGESUCDFOVTR-IBGZPJMESA-N 447.898 2.272 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 791123365 KTISMHHXTZDNKI-UHFFFAOYSA-N 430.549 2.413 30 10 IEEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(C(C)(C)C#N)cc3)ncnc1-2 793442525 VXPVXFVPPRYAPU-UHFFFAOYSA-N 442.321 2.142 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccnc(C#N)c2)ccc1C 795977131 ROQUVBRVAIVXJI-UHFFFAOYSA-N 430.486 2.088 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N(CC#N)c2ccccc2)[C@@H]1c1cncn1C 796087228 DIQIYZAACKIYEX-XMSQKQJNSA-N 437.500 2.210 30 10 IEEE CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802002638 WNAYMEUKOAXEPP-QHCPKHFHSA-N 448.619 2.101 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)n1 807576017 NMQMYXAAIIDNLU-MRXNPFEDSA-N 443.470 2.008 30 10 IEEE CC(C)N1CC[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H](c2cnn(C)c2)C1 849518956 UAXXMMNWGGTZGR-FGZHOGPDSA-N 435.576 2.286 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)CC1 915660022 SDUGUDDIPXYRCN-AVRWGWEMSA-N 445.523 2.231 30 10 IEEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2c(O)nc3ccccc3c2=O)cc1Cl 916941234 QTFZSQSEWPDCMB-ZDUSSCGKSA-N 426.816 2.112 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)s1 917771839 XALMCYVQFIBKPC-UHFFFAOYSA-N 436.562 2.098 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)ccc1F 1115985528 PALFIGISSFBPHH-UHFFFAOYSA-N 427.457 2.394 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)OC(C)(C)C 1127138661 UNFDZZKLQFQSNS-AKKLJKOSSA-N 440.548 2.325 30 10 IEEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nn1C 1130388709 WJTUFIDDJADXCQ-UHFFFAOYSA-N 427.530 2.128 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OCC 1132934236 BUYQYJJGMYDYFO-HOTGVXAUSA-N 428.576 2.471 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)C(=O)OC(C)(C)C 1136720876 GCSZSDVMZHQVIV-CQSZACIVSA-N 439.509 2.452 30 10 IEEE N#CC1(CC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCOCC1 1143217400 LFXPHTNGHRDJAD-UHFFFAOYSA-N 431.967 2.335 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4ccc(C(N)=O)c(Cl)n4)CC3)n[nH]2)cc1 1146299786 VRWXSIXYUXYDFL-UHFFFAOYSA-N 435.875 2.058 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CC1 1215390092 VWUMEVXZPNVZRU-UHFFFAOYSA-N 441.528 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286273392 DUVZYYKEPGQQPL-AOMKIAJQSA-N 428.489 2.196 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1CCCO 1286442114 MGMOSIYCZFNREB-JOCHJYFZSA-N 433.560 2.437 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CCOC)CCCC2)CC1 1286474005 ZPQHUMQMIUDBNL-XMMPIXPASA-N 445.608 2.282 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1286516940 NUSPRHWJKJKTKQ-WAOWUJCRSA-N 436.626 2.001 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCNS(=O)(=O)CC 1286527758 QVAFEWOVOLBRPP-JOCHJYFZSA-N 445.589 2.405 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)C)CC1 1286566684 SQWFHWTXQOGGEO-AVRDEDQJSA-N 430.597 2.349 30 10 IEEE CN(C(=O)[C@H]1CSCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 1290389799 SHTFPBPEOHZWTP-QGZVFWFLSA-N 449.374 2.279 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCc1cccc(OCC#N)c1 1293360666 BKEVIIJSGZYPHD-ZCPGHIKRSA-N 435.402 2.191 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1300292417 YNHIDWHETXCRBY-MJGOQNOKSA-N 425.533 2.489 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300501392 LKRDBWOCDJFPEN-IBGZPJMESA-N 433.622 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OC)c1OC 1300554398 BVUZYKTVVNYOEX-UHFFFAOYSA-N 444.495 2.454 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1300602253 BQAVFKXVOKXIDT-DEOSSOPVSA-N 439.560 2.275 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1CCCCO1 1300656789 CNNAFNLKSZVWSV-LJQANCHMSA-N 446.573 2.394 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)CCOC)CC1 1300709020 ZXCJBCPZXARALE-DEOSSOPVSA-N 441.576 2.017 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 1301132326 IRJYDKJZNRWOOQ-DNQXCXABSA-N 448.519 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)(c3nc(C)no3)CC2)nnc1C(C)(C)C 1301596276 KDYLBLROEBMBAH-UHFFFAOYSA-N 436.582 2.426 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1301969232 VVORJNLGZIMKJV-QRVBRYPASA-N 436.626 2.288 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1302442070 KNOIVCIQSWJDDX-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE Cc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)on1 1304901481 LFKRSVUXSMKZHW-UXLLHSPISA-N 443.508 2.122 30 10 IEEE N#Cc1ccc(N2CCN(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)CC2)cc1 1308010994 HYQDKKNVWIQEJE-UHFFFAOYSA-N 437.588 2.321 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CCO1 1316540340 JPCQNLLGJOVVBY-ROUUACIJSA-N 433.896 2.045 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC)c1 1358902742 XULOKFQHWKSVHT-GOSISDBHSA-N 443.573 2.427 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCOC2)c1 1358903078 KPZNBBUGZMGFKQ-HXUWFJFHSA-N 430.512 2.357 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCN(C(C)C)CC1 1358951906 QDQMPQFCDWZQMS-UHFFFAOYSA-N 425.577 2.377 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1358961105 RQBJEAIEWJWERW-SFHVURJKSA-N 445.589 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CC 1358993622 SHXQAMWQKFPDKV-JOCHJYFZSA-N 446.603 2.399 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1359009140 JCYWFLDMFGVEGR-HKUYNNGSSA-N 433.553 2.082 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCSC1 1359022853 OSYWEVSXIANBAF-MRXNPFEDSA-N 448.618 2.077 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccn2)CC1 1359052322 AVGMWYONQGVGSE-UHFFFAOYSA-N 440.964 2.477 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)C)C1 1359059831 BNWNASQJNAAXMC-INIZCTEOSA-N 433.603 2.497 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCOC)cc2)CC1 1359159110 NLPSKSXIKFANHE-QGZVFWFLSA-N 449.577 2.118 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359188254 JXGHUNXARLOUCP-QGZVFWFLSA-N 449.621 2.278 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)NC(C)(C)C 1359853912 PDFUJAGNTUAKDJ-UHFFFAOYSA-N 438.580 2.375 30 10 IEEE C#CC[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)OC 1451177341 DHYOWPHUFBXASM-IAGOWNOFSA-N 446.504 2.036 30 10 IEEE CCOC(=O)[C@]1(F)CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC12CCC2 1453286647 XUWSODNOFFEDDL-JOCHJYFZSA-N 427.480 2.434 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1455477588 WILWOPUUVHOUHJ-KSFYIVLOSA-N 429.521 2.064 30 10 IEEE COC(=O)[C@H]1CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1456290986 KZILNNRMZSZECT-PYUISTEWSA-N 446.475 2.277 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)C1 1464879491 HPEDWSDJIJLOPR-PSCUFVCCSA-N 437.504 2.270 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)C1 1475667528 MSDCCAJYEDPKCQ-GFCCVEGCSA-N 446.323 2.050 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)C2=O)cc1 1478420348 SUPUEMAGNZKNSY-WOJBJXKFSA-N 435.459 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccccc2)CC1 1507513928 LKNNMWMSWNYFOO-HXUWFJFHSA-N 437.592 2.087 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)c1cc(C)oc1C 1507659229 OIKFQDONNIBUIO-GREBRCKQSA-N 426.517 2.192 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCOCC)CC1 1507723804 VETNZQFBARTDNN-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C(C)C)C(C)C)CC1 1507738836 FSHUQRXFZZUBMP-OAQYLSRUSA-N 444.624 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1507742459 IIPDCICBNVYGOG-UHFFFAOYSA-N 446.596 2.453 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC(OCC(N)=O)CC1 1507788162 KIWIIIYYKNNYMB-UHFFFAOYSA-N 440.367 2.310 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](COC)C1 1507839911 HXAUEKVRUGIAED-GOSISDBHSA-N 430.505 2.161 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507848270 OLMYXWGNZCPNPT-SFHVURJKSA-N 438.532 2.378 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1508090887 PXTQIMDRNZEJCL-LJQANCHMSA-N 427.553 2.422 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)cc1 1508096277 DZMNZAZEZTUIBP-UHFFFAOYSA-N 438.576 2.334 30 10 IEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCCC1 1508851561 HKIDQIRRHXQFMS-HXUWFJFHSA-N 442.589 2.172 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCCN1CCCO 1513917111 HSIGQAYWUWKZNM-SFHVURJKSA-N 441.555 2.025 30 10 IEEE CCN(CCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1515726670 CFQKHNUNPHTKRD-UHFFFAOYSA-N 446.563 2.059 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2OC)n1Cc1ccc(C#N)o1 1515770050 DBBWBKPNZSXIOX-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1526638223 BMOGJTXLEQSZQP-IERDGZPVSA-N 435.590 2.203 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)CC2(C#N)CCOCC2)CC1 1526638358 DKBRIJGFFCKJIA-QGZVFWFLSA-N 433.574 2.442 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1538352046 QEKXYBYQCJNAGY-QFIPXVFZSA-N 449.555 2.084 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539068467 VPOIRXHYMQOFKW-OAHLLOKOSA-N 442.545 2.267 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCNC(C)=O 1539300342 AFWBCMNUSPZOOU-UHFFFAOYSA-N 431.338 2.035 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCN(C)C1 1539300655 FLYNIRFNCHHQSK-NRFANRHFSA-N 442.361 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1539306910 MKEWGXUBUFHXBA-SSEXGKCCSA-N 426.542 2.336 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](COC)OC)CC1 1539438362 VYXYPQQSEZLZMM-SFHVURJKSA-N 448.365 2.124 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)CC1 1539452086 KOOIIOXJJHUUJI-UHFFFAOYSA-N 439.514 2.498 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOCc2ccc(OC)cc2)CC1 1539453120 CSPVMJXIAUHODN-UHFFFAOYSA-N 446.555 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)cc2F)CC1 1539480684 DHPKJWNESAFYLW-LJQANCHMSA-N 425.508 2.244 30 10 IEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539717567 HMUCXDOGPOUMFF-NRFANRHFSA-N 432.546 2.457 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1539742916 OILIPDJFJVDTHF-UHFFFAOYSA-N 427.553 2.411 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1539966247 HXZDIOBNAOXHLM-KRWDZBQOSA-N 427.571 2.278 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCOC2)C1 1540882735 NQFCMKIRAOUJLP-XXBNENTESA-N 441.532 2.080 30 10 IEEE CC(C)(C)OCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1541229535 VJNDSTRMVRPYDR-UHFFFAOYSA-N 433.520 2.143 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1542422322 JLEIGNISOXPJDI-VQTJNVASSA-N 438.532 2.427 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 1542837478 SWLUKHXZARBDJK-IFXJQAMLSA-N 427.501 2.298 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(Cl)s3)C2)nc1 1544774700 GRMFELAKBVKXDQ-ZDUSSCGKSA-N 425.919 2.263 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1)OC 1546009887 AXOLBPNLHNSUEL-HTAPYJJXSA-N 426.521 2.116 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1546857688 VSFKIBVFEPQZRV-OSPHWJPCSA-N 449.559 2.228 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1)C(=O)OC 1556375186 CLBNYZXQURQGID-VSZNYVQBSA-N 440.537 2.042 30 10 IEEE C=CCCC[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(=O)OC 1558380053 ADVUKHADLJFCGH-CQSZACIVSA-N 447.351 2.327 30 10 IEEE CCOC(=O)[C@@]1(F)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC12CCC2 1584293582 XVALJJCUAUSPDD-IBGZPJMESA-N 426.441 2.020 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1S(C)(=O)=O 1587662503 NWYPTHIVSUWHSY-IEBWSBKVSA-N 440.573 2.163 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2c(C)nn(C)c2C)c1 1587697526 RPLXCMFPPXSGRF-UHFFFAOYSA-N 435.532 2.269 30 10 IEEE C#CCCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587894528 VSPKHSCCQVGIFK-HDICACEKSA-N 444.580 2.425 30 10 IEEE C#CCN(c1nnc(C)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1588034423 FTPMSZZQWHKXKV-LBPRGKRZSA-N 429.365 2.086 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1588064251 DUBKMHGUGJWART-IBGZPJMESA-N 441.582 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnn(CCOC)c1 1588233776 QLATXWAUXLRPJH-QFIPXVFZSA-N 446.511 2.145 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1588871965 TXBUWXFHDSYTKO-YADARESESA-N 441.576 2.418 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCOC1 1588985445 TXBOOPRNPAVSJI-INIZCTEOSA-N 448.618 2.138 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1589060207 OOEBHBZPAZRGOO-RXVVDRJESA-N 430.578 2.372 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1589544028 DWYVNQOUQPSDFI-QYZOEREBSA-N 433.578 2.291 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 1593747033 QAPCYVDMYYLEFH-GOSISDBHSA-N 434.562 2.418 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1594692717 DMDASLSMJNGILF-QGZVFWFLSA-N 429.546 2.126 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1F 1594943056 JYBOOHCIMKXUBW-UHFFFAOYSA-N 445.524 2.474 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2c(cccc2OC)C1 1595784590 JFTBEISXGOZCQX-UHFFFAOYSA-N 427.530 2.445 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1611287589 XKEZTYBJIWMTKS-LBPRGKRZSA-N 443.371 2.219 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc[nH]n1 1625853334 WCEDUVXAAJJKDP-OAHLLOKOSA-N 436.415 2.489 30 10 IEEE C#CCn1cc(CNC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)cn1 1626744402 FFVUWUDJVYDABU-IBGZPJMESA-N 437.500 2.224 30 10 IEEE C#C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]1CCCO1 1633398423 WSXDOQCESNRZSJ-CVEARBPZSA-N 425.526 2.045 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1 1633771549 ODRPNNKTXOFASK-AEFFLSMTSA-N 430.505 2.061 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc([S@](C)(=O)=NC)c2)s1 1635477064 QRUAOCNHNGFWDH-SANMLTNESA-N 427.573 2.480 30 10 IEEE C#C[C@@](C)(CC)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1636941931 WNZWIKOQXPEWGP-AOMKIAJQSA-N 428.558 2.463 30 10 IEEE Cc1ccc(C(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)cc1S(=O)(=O)NCC#N 1640542601 XZPADUOVBIZAAR-SFHVURJKSA-N 435.452 2.289 30 10 IEEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1653435450 QVYFLYWBHRXJBY-CQSZACIVSA-N 443.349 2.398 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1653540420 NUCUYBYBXHZLOP-AWEZNQCLSA-N 441.347 2.192 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@]1(OC(C)C)CCOC1 1656936480 OEYQETOYTVDMNU-NRFANRHFSA-N 444.594 2.235 30 10 IEEE N#Cc1ccc(C2(NCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CCOCC2)cc1 1659750794 LISRTQAJOQVCSF-UHFFFAOYSA-N 449.511 2.411 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1660072078 GRFMGWAXWUJFAC-CALCHBBNSA-N 434.562 2.488 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C(=O)OC 1665501366 SUAGSZBNZPUDMV-CYBMUJFWSA-N 436.324 2.260 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)C1 1671458642 DGRWCMGJEIGQEL-CQSZACIVSA-N 443.363 2.310 30 10 IEEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)NCc1c(F)cc(F)c(F)c1F 1680790666 AYBGUZWVGBVMBS-UHFFFAOYSA-N 428.264 2.067 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1689826044 HGLURDXFFZKFCF-OLZOCXBDSA-N 440.367 2.157 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1689865450 UZYPXMSWKHAWGB-MHORFTMASA-N 433.553 2.297 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1689989323 DGSHMMAKSGSBHV-AZUAARDMSA-N 444.557 2.095 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1690113967 YZXIJDLSXXITNQ-XUZZJYLKSA-N 439.560 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@@H]2C)CC1 1690137662 GFLRKVDNJBZFLF-WXVUKLJWSA-N 443.592 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(OC)C2CC2)CC1 1690144360 WFFWSLUERHNJSB-CVDCTZTESA-N 429.565 2.301 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCCCS(C)(=O)=O 1690216600 QVTNNRRCKHITQF-BBTUJRGHSA-N 438.594 2.209 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690334052 CIHGGRQGWUZLJS-UHFFFAOYSA-N 445.911 2.006 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690686068 IURYXDLFRLZUTI-OALUTQOASA-N 432.613 2.300 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1690982594 HOZOSCJHNUAOHM-HXUWFJFHSA-N 426.521 2.260 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1=CCCOC1 1692531734 MWGFYUYMIAHOQC-UHFFFAOYSA-N 449.559 2.351 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOC1CCCC1 1692787979 RWHZCVUIVCDEER-INIZCTEOSA-N 438.598 2.368 30 10 IEEE Cc1nnc(N2Cc3cccc(Br)c3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693482164 AITVJKGXVAZCJS-ISLYRVAYSA-N 443.305 2.396 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1696842222 FUTFIDXRFSPPMS-MOPGFXCFSA-N 429.546 2.399 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)C1 1696926776 FOHBFDAZWODKSP-DEOSSOPVSA-N 445.527 2.443 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)CC1 1698107365 OZQYUKISUJCQCB-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CC 1705482457 ZWPXEOCRCVGPPH-MJGOQNOKSA-N 444.605 2.138 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1705570221 LSVVYKSGFSPHTB-OKZBNKHCSA-N 432.521 2.035 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN(CC)C(C)C)CC1 1705636652 SHETUUPHFHTMAA-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1705715971 VBSOGXWAXYAGOW-SFHVURJKSA-N 431.562 2.247 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705832042 LOGXPTOOYGUSQT-DENIHFKCSA-N 430.553 2.117 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1C 1705846343 BDFSCNDHLJXDMP-UHFFFAOYSA-N 434.592 2.355 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cscn1 1705904247 JWWGSYCMYVGBJB-KRWDZBQOSA-N 426.502 2.186 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1705910989 UYKCAQUOUCQXFE-LJQANCHMSA-N 434.562 2.441 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3cccn3)c2)C1 1705914122 HFEAHWLKONPRGL-OAQYLSRUSA-N 449.559 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H]1C(C)C 1705934571 PYZXTARAZHXHCM-INIZCTEOSA-N 435.550 2.231 30 10 IEEE Cc1nnc(N(C)CCCOc2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1707865898 VAXJYFLOEJFWSJ-UHFFFAOYSA-N 429.502 2.408 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)c1 1711329612 YPGFWQPAWRNSSL-OPAMFIHVSA-N 444.511 2.046 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1NC(=O)CC1(C)C 1712454484 OEXUPCFFYDAFNS-SFHVURJKSA-N 446.502 2.428 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2)CCO1 1712885984 FCKXSSOGEYOJLW-GJZGRUSLSA-N 432.575 2.284 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722307233 SCAWVSJRFFWOCG-GOSISDBHSA-N 437.548 2.472 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1722488752 CUHRSZBGJPGDRN-MRXNPFEDSA-N 429.278 2.366 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722499034 GWEQXOKWKQNIFB-DENIHFKCSA-N 437.548 2.389 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1722509898 PCTCNJHAUGMVEK-YLJYHZDGSA-N 434.537 2.224 30 10 IEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722628274 VQRCMGUERCGFJU-LEWJYISDSA-N 432.613 2.329 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCC2(O)CCOCC2)CCOC1 1723681144 ZWLAIQXTQQMORI-QHCPKHFHSA-N 447.580 2.380 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1723780230 PXEGOGYJWQFQTJ-RDHHWEPZSA-N 438.598 2.347 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCSC1 1723928546 HNNVEFIUPUBTMN-ZBFHGGJFSA-N 426.612 2.162 30 10 IEEE CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1Cc1ccc(C#N)o1 1727598840 PXYRTLHXKPFSNL-UHFFFAOYSA-N 438.463 2.220 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC[C@@H]1OC 1729070735 NUBMBMLPZBYHOG-MOPGFXCFSA-N 425.537 2.223 30 10 IEEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1729313523 YSRKNQOGEYVPEE-GOSISDBHSA-N 443.939 2.069 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1729474314 RDXUSFCQEJFWHV-VERZRFAGSA-N 444.536 2.051 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1740628815 URMJWKHSJGCTEP-VOFKWLDRSA-N 439.541 2.322 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCOC[C@H]1OC 1740636854 GIRBMJXPQXJWNV-DENIHFKCSA-N 430.512 2.255 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)(F)F 1740662419 LCDMRJGCOQDQRD-UHFFFAOYSA-N 425.411 2.100 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 1740688460 QJPNQWPBOTXKHX-MSOLQXFVSA-N 433.553 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1OCCC1(C)C 1740689056 YJGTWALAUKRYAC-QGZVFWFLSA-N 431.562 2.171 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1740952869 PUBVOHFSCISXKV-CVEARBPZSA-N 445.495 2.249 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740962249 WXJSIGWPOZAQHM-QUCCMNQESA-N 425.533 2.185 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1741610114 OVFDPRZGGIREJT-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1742645872 STXCCUOFTXBEJW-UHFFFAOYSA-N 441.561 2.283 30 10 IEEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1743345932 IJELLTWJEBETCR-RHSMWYFYSA-N 447.465 2.168 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](COC)C1 1745800608 ACWMPLQXJXTFOX-SFHVURJKSA-N 426.521 2.118 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)c1 1748571246 DTWBEEKITFUIQC-QHCPKHFHSA-N 440.548 2.159 30 10 IEEE C#CCCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1748731250 YEVVWUWYOBMJAL-QHCPKHFHSA-N 436.516 2.269 30 10 IEEE C#CCN(c1nnc(C)n1Cc1c(F)cccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748806117 ZNRULTDDBBCMSY-KRWDZBQOSA-N 431.537 2.001 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748820105 ZEKUUXBJKXJQFE-NHCUHLMSSA-N 440.569 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC(=O)NC1CC1 1748892833 XFJAHGIXVUDKJA-NRFANRHFSA-N 433.512 2.312 30 10 IEEE COc1cccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1748947724 WEMJFLGYZGZFGM-CQSZACIVSA-N 444.517 2.046 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1749398419 GRKPLIMXLSSALO-INIZCTEOSA-N 435.532 2.215 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749671875 MCEVSYGOJWLFCV-HZPDHXFCSA-N 431.487 2.312 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNC(C)=O)C1 1749707329 VHUPGZXBOMHTPZ-NRFANRHFSA-N 435.532 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCC[C@@H]21 1749738763 WYFKXBMMAWUSPH-HOTGVXAUSA-N 449.602 2.249 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(F)(F)CO1 1749833007 ZGNCTBRDIZEMJP-HNNXBMFYSA-N 426.493 2.425 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750445189 RJTBGGVJXWURAW-SKQREZPOSA-N 441.580 2.167 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1751003474 FWQRWIDFKMUZHW-GOSISDBHSA-N 440.932 2.368 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1cccc2[nH]ccc12 1751193590 CDIIIJPWRALCQF-GJZGRUSLSA-N 429.550 2.351 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1752557886 NOIFMOHZKWSSIK-GAJHUEQPSA-N 447.547 2.125 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760138357 WXHWFOFOEVBKQO-LEWJYISDSA-N 442.608 2.109 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760186758 GHIMMDSZEDLHJK-FQEVSTJZSA-N 433.622 2.294 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)no1 1760239927 AVFHORVYZREVFI-OAHLLOKOSA-N 446.508 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2nnc(C)s2)CC1 1760266769 LSEUXBLRPMOQGC-UHFFFAOYSA-N 425.518 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(CC)CCOCC2)CC1 1760269630 NGWYSOFSPYZPEQ-FQEVSTJZSA-N 443.592 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)SC)CC1 1760271585 CWDBQYDPGRYHMC-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760321402 GFUWGOYFVINWNF-CVDCTZTESA-N 444.624 2.393 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1760431895 CYDKXEBAHSLOQX-CQSZACIVSA-N 433.582 2.213 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ncc(Cl)n1C 1760517729 WEPCLVGFVYKPRK-UHFFFAOYSA-N 444.883 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760555581 IJLHHVAFLCGRMA-GOSISDBHSA-N 445.593 2.042 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCOCCS(C)(=O)=O)C1 1761545489 VSMRMVGWWCXNSZ-NRFANRHFSA-N 449.552 2.199 30 10 IEEE CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1761597509 LJNHOMCNYNEJKI-IBGZPJMESA-N 449.515 2.263 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1761831890 BLEIHQGWHUXCOE-OAQYLSRUSA-N 446.577 2.187 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1764584124 JHYXDIIBPQLRAT-HXUWFJFHSA-N 437.548 2.244 30 10 IEEE CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1764982289 IPMHFMSNNDLRRQ-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1767492671 YOJLLESZSXIDIN-MGPUTAFESA-N 437.470 2.082 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1767599443 SKWQNDUCPAWZOK-AWEZNQCLSA-N 426.452 2.327 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CC=CCC1 1767930399 CXSMIFACHXMVNX-UHFFFAOYSA-N 439.539 2.414 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNc1ccccn1 1767933434 YPFPNUSXWHGEPO-UHFFFAOYSA-N 447.547 2.305 30 10 IEEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1770606458 LAKSXTRVCKHGQN-QZTJIDSGSA-N 426.546 2.432 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC[C@@H]2CCCO2)CCO1 1770750962 BCAKVWVIQNQSIC-PMACEKPBSA-N 445.495 2.311 30 10 IEEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1771383413 CPVPKVPHNAVJDI-CQSZACIVSA-N 439.545 2.089 30 10 IEEE Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1852582120 ZEIFDJWQPBFVHJ-CVEARBPZSA-N 427.505 2.224 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4c(C#N)cnn4C)CC3)CC2=O)cc1 1853279487 SKORMCRQBWNSHD-GOSISDBHSA-N 448.527 2.084 30 10 IEEE CON(C)C(=O)[C@H]1CC=CCN1C(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 1853361727 ZUKGNPMFWJFBSA-OAQYLSRUSA-N 433.512 2.500 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(F)c(Cl)c2)C(=O)C1 1853953028 OHDXUYKDOLQOLY-UHFFFAOYSA-N 449.891 2.343 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(Cl)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855740086 NUQSJBPGIUAYMS-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1 1856872014 JLUAPACBYPNQIN-QGZVFWFLSA-N 425.510 2.080 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1 1858646911 NBCOVDVZIKGCSJ-UHFFFAOYSA-N 427.404 2.208 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2C(=O)O)cc1 1862691920 YRXNXFGMPIOFKG-IBGZPJMESA-N 438.436 2.108 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCN(C)C)=C(N)Oc2c1c(C)nn2C 1864316798 OYTAAFJRPDZCEN-IBGZPJMESA-N 425.533 2.056 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2)cn1CCO 1870739352 ALWWESKIEUUTJY-UHFFFAOYSA-N 427.501 2.041 30 10 IEEE C=CCn1nc(C)c(I)c1C(=O)N1CCC[C@H](C(=O)OCC)C1 1871336363 MGMYOTZMIZHBIR-LBPRGKRZSA-N 431.274 2.397 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCCO)n3/N=C/c3ccc[nH]3)CC2=O)cc1 1874198206 RZOYMNYECNGZHS-LUILSVGHSA-N 440.529 2.492 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccco1 1874335667 VKTWDEILLMWGAB-FPQGOQEYSA-N 432.550 2.438 30 10 IEEE Cc1ccc2ncc(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)n2c1 1889404359 VGTQIMDTQYXKKX-UHFFFAOYSA-N 437.588 2.293 30 10 IEEE C#CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1965072394 FUWZDLCBQDSACT-KRWDZBQOSA-N 439.553 2.123 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022914988 TVKREBVICPFPLH-JKSUJKDBSA-N 439.553 2.429 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(C)(C)C#N)CC1 2060824912 CQFIVIVQJZGEEU-HXUWFJFHSA-N 443.592 2.458 30 10 IEEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2195275455 XDVDQFVRHQMDFQ-OEMYIYORSA-N 439.530 2.277 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255368375 IQRUAHLVPBRPRE-JKSUJKDBSA-N 433.358 2.411 30 10 IEEE CC(C)(CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255881628 AHVZCGKIJWAXIS-UHFFFAOYSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267099882 OIRCWHLHSUYULS-QKDCVEJESA-N 446.357 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267274331 YQJQOEFWXGWFAR-SFHVURJKSA-N 446.353 2.352 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267492438 SFFLYZARFFDOSS-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267493107 GPZAHVDGKZIAMN-CVEARBPZSA-N 448.373 2.237 30 10 IEEE CC(=NO)c1ccc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)nc1 2283597256 YVMGODURGLLNOO-IBGZPJMESA-N 434.449 2.046 30 10 IEEE COCCn1cc(C#C[C@H](O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318096169 DWRKIFLVRHUULA-YADHBBJMSA-N 442.560 2.267 30 10 IEEE C[C@@H](C#CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2318677423 MYGGFBSGYVZXLJ-ZDUSSCGKSA-N 433.289 2.375 30 10 IEEE CC1(C)OB(c2cc(=NCC3CCN(C(=O)C(F)(F)F)CC3)[nH]cc2F)OC1(C)C 2322300495 RTFRVLASRUCPTF-UHFFFAOYSA-N 431.239 2.155 30 10 IEEE CC1(C)OB(c2cc(=NC[C@H]3COCCN3Cc3ccccc3)[nH]cc2F)OC1(C)C 2322310771 JWCFKVNSYOMDNR-SFHVURJKSA-N 427.329 2.255 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccc(C(=O)O)cc1 2328681759 NCHHFPSZQMSJHN-UHFFFAOYSA-N 439.497 2.230 30 10 IEEE CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)S1 33927910 XTFIOBGGPAVNCX-MHWRWJLKSA-N 447.450 2.469 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)cc1 96567130 DNACFMRZSFVUPT-DEOSSOPVSA-N 437.496 2.473 30 10 IEEE N/C(=N/O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 96708473 FCHKXQBHGNRSQR-SECBINFHSA-N 427.118 2.111 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3[C@@H]2CC=CCC2)C1 256033224 MOVZCVQOLZMIGM-KLHDSHLOSA-N 425.489 2.493 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccsc2)CC1 435817069 HFEZTMGXLWUXDB-UHFFFAOYSA-N 427.511 2.157 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccccc1C#N 440385933 YKNJKGODTQBKPI-UHFFFAOYSA-N 432.505 2.091 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](CO)Cc3cc(F)c(F)c(F)c3)cc2C1=O 444438758 IKMNIZSLXVFVIN-CYBMUJFWSA-N 432.398 2.467 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)cn1 461325642 VPILKYJEUXEMLO-UHFFFAOYSA-N 436.233 2.129 30 10 IEEE COc1ccccc1N1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472106080 NCFNSNYURLQLKT-UHFFFAOYSA-N 437.548 2.109 30 10 IEEE Cc1c(C#N)c(NC(=O)CCN(C)C[C@@H]2CCS(=O)(=O)C2)n(Cc2ccco2)c1C 472238058 FTBLXAIUPOORLR-KRWDZBQOSA-N 432.546 2.313 30 10 IEEE CC(C)[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475155021 IOENBJAEFKOCEN-UXHICEINSA-N 432.590 2.196 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 479179303 QVLFZEFBGIIEBO-JTHBVZDNSA-N 448.571 2.324 30 10 IEEE C=CCN(C(=O)N[C@@H](c1ccc(C(=O)OC)cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 482437108 OQZLWYGPAUCFOH-CABCVRRESA-N 434.436 2.461 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)c1 487179633 IZWAKFCMLFPVLI-YADHBBJMSA-N 434.496 2.451 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c1 487342599 GCJXETHESMCPLS-LRDQTLBRSA-N 435.343 2.108 30 10 IEEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cn1 504774610 FRUZSQCTMCBAPQ-UHFFFAOYSA-N 435.484 2.307 30 10 IEEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 507377651 XXECDZFYEYANJU-UHFFFAOYSA-N 441.469 2.057 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 512397600 GOAZCYXYSCECNV-NRFANRHFSA-N 447.539 2.460 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 516374581 JAEBXIYZFAQGKQ-UHFFFAOYSA-N 425.554 2.136 30 10 IEEE Cn1c(=O)n(CCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c2ccccc21 523673773 IMKUEMHZJWKPQC-LJQANCHMSA-N 435.509 2.142 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(O)ccc2C(F)(F)F)CC1 527519404 FATGSKBYKXAAAB-UHFFFAOYSA-N 439.415 2.429 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2cccc(Br)c2)c1 537784856 RPNPNRXBXVKMFX-QGZVFWFLSA-N 439.331 2.377 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 577987864 ZMSHACJYMRNXPJ-UHFFFAOYSA-N 425.576 2.140 30 10 IEEE Cc1csc([C@H](C#N)C(=O)CSc2nnc(CCc3c(C)nc(O)nc3O)o2)n1 585190962 BDCFYRNAKDLYHX-LLVKDONJSA-N 432.487 2.098 30 10 IEEE C[C@@H]1CO[C@H](C(F)(F)F)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 586777415 OJEYQCXOHQBGQT-OLMNPRSZSA-N 428.430 2.186 30 10 IEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 619833213 NAQSAOSJMJFPRF-XMSQKQJNSA-N 433.560 2.382 30 10 IEEE COc1ccc(CN2C(=O)C(=O)N(CN3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cc1 728903753 XMJPMUFXRZOHAZ-UHFFFAOYSA-N 448.479 2.359 30 10 IEEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730717990 DRQPCBMGKNQTAB-GOSISDBHSA-N 429.546 2.437 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCOC[C@H]2CCOC2)C1=O)NC1CC1 731559138 BUYKMQJVFGMUSE-KSSFIOAISA-N 435.521 2.479 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@H]2CCCO2)c1=O 743728912 RHEMVSIUWWNKBD-MRXNPFEDSA-N 437.546 2.240 30 10 IEEE N#Cc1cccc(CC(=O)OCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1 750429641 DTCAPLSQTRFTHQ-UHFFFAOYSA-N 433.508 2.384 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)sc2nc3n(c(=O)c12)CCC3 760405509 GVBGDRMHXJYTBS-UHFFFAOYSA-N 434.543 2.246 30 10 IEEE C=CCn1c(Cc2noc(-c3ccc(NC(=O)OC)cc3)n2)nnc1N1CCOCC1 761777413 UZFDHZDBROKMCT-UHFFFAOYSA-N 425.449 2.120 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774512285 XHMUASIRJUEOQD-UHFFFAOYSA-N 435.549 2.101 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 782197774 YSLXUIBAZHCZDW-AWEZNQCLSA-N 427.251 2.434 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCC2CS(=O)(=O)C2)C1=O 786686921 JBZWTEQVCYXKLV-SFHVURJKSA-N 445.566 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 792319883 KJYWEENAARPUET-UHFFFAOYSA-N 425.493 2.020 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)n1 802345374 RTLXVADETKOEFV-SFHVURJKSA-N 443.479 2.015 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 803522324 AOCMKRCPNPPQQX-HXUWFJFHSA-N 429.542 2.443 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccc4sccc34)CC2)c1 809187015 KKMWTQVQRNECNJ-UHFFFAOYSA-N 440.550 2.170 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)c(Cl)c1 856682114 UXFJIPZOILALLH-UHFFFAOYSA-N 443.935 2.257 30 10 IEEE C[C@@H](OC(=O)Cn1c(=O)nc(O)c2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 857842786 FBDJHNXEXHMDHN-LLVKDONJSA-N 438.465 2.094 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)ccc1O 1084216824 QFYUJHUZRXQRAM-UHFFFAOYSA-N 442.457 2.424 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ncc1C#N 1124368458 VYCSOSBMPSNRME-UHFFFAOYSA-N 449.330 2.171 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCCCn2cnc3c(N)ncnc32)CC1 1135982680 MDFJVDQTTAJLMT-GOSISDBHSA-N 436.495 2.127 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1153739708 GDDYZINQCBNLIQ-ZBFHGGJFSA-N 428.493 2.250 30 10 IEEE COc1cc(C(=O)NCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1OC(F)F 1157530686 MNXJJNNXTDSOGZ-IBGZPJMESA-N 445.422 2.498 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 1161393778 UNLUNFLWZXGFQR-BRWVUGGUSA-N 426.542 2.196 30 10 IEEE CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1C(C)(C)C 1163923371 CZNBKVJOFZTVDG-HXUWFJFHSA-N 432.590 2.148 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)COc2nsnc2N2CCOCC2)C(F)(F)F)c1 1175355037 UUBHHMSVQHIXCT-CQSZACIVSA-N 427.408 2.045 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)OC 1213735317 QSTOCLWTOYPUDF-AWEZNQCLSA-N 434.308 2.412 30 10 IEEE N#Cc1csc(CNC(=O)NCCOc2ccc(I)cc2)n1 1227067529 KORLWZQWDBJEDL-UHFFFAOYSA-N 428.255 2.498 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1C 1286278806 GLXGGPBGODUAOT-QGZVFWFLSA-N 438.557 2.405 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnnn1CC1CC1 1286463030 FVSNYQDLCPOWNY-UHFFFAOYSA-N 444.902 2.268 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1286480861 PQJIFEXOJDSFLK-OALUTQOASA-N 425.533 2.013 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286601954 QLDZENSOCHSBHN-SFHVURJKSA-N 440.548 2.442 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286833162 WHRJOZQMVSGWNJ-ROUUACIJSA-N 440.635 2.495 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)OC 1293991126 GOVPDPKSVAWCLD-QFBILLFUSA-N 426.521 2.211 30 10 IEEE CCn1cnnc1Cn1c([C@H]2CCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1295976655 IANHZEPYZBHLGP-LJQANCHMSA-N 436.520 2.314 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)s1 1296838059 SRZVHDZFPUYKLJ-MRXNPFEDSA-N 449.598 2.433 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)CC1 1297747904 UFPPRRQMANMGSG-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1)C(=O)OC 1299179490 RFDGNSRMCXPRRZ-GOSISDBHSA-N 435.505 2.223 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(CCN(C)C)CC2)CC1 1300692673 LDEQSUODZFBDSO-UHFFFAOYSA-N 449.647 2.282 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2ccccc2)CC1 1300720019 ZFSCSPXLEMYFOP-UHFFFAOYSA-N 447.543 2.114 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1CCOCC1 1300890653 VXDOCTHEHKNJQT-KNQAVFIVSA-N 426.565 2.014 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3[C@H](C(=O)OC)C2)s1 1302007418 JKCMTVXEGMYFHH-QGZVFWFLSA-N 434.539 2.054 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(Cl)ccc1OC 1302098801 QQGCGHKIWGCHCS-WMLDXEAASA-N 435.912 2.441 30 10 IEEE CSc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 1303626210 WFGPBEMCNOUPSH-IEBWSBKVSA-N 427.501 2.240 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCCCO 1303932406 SOMPBBIXKAWULQ-HZPDHXFCSA-N 435.525 2.402 30 10 IEEE C[C@H]1N(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1305243552 WRENDNAWOBVJMX-QQMHEVNUSA-N 436.516 2.475 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1305638378 CRRXJFBCULZBON-GOSISDBHSA-N 438.580 2.375 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1307497270 DNKGDMHLKJVARM-INIZCTEOSA-N 435.446 2.409 30 10 IEEE CC(C)(NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(C#N)c1 1307923687 LUDMXYWQEFOPHI-UHFFFAOYSA-N 442.541 2.043 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn2ccccc12 1314852704 LCTOKUUOYLGMIA-UHFFFAOYSA-N 449.540 2.384 30 10 IEEE CC[C@@H](C)N/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cccc(CO)c1 1318305492 FSFGBIDVPQGOJF-CQSZACIVSA-O 436.579 2.249 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1321312082 QIZIZYGYFDRGMB-BYICEURKSA-N 430.578 2.412 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2Cl)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1345026090 ULUNJIJTNUEOFT-FUHWJXTLSA-N 448.976 2.186 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358887651 AGOKLZVXDBPXDZ-IAGOWNOFSA-N 428.537 2.232 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1358918678 CPFMIQYXMHBHLY-INIZCTEOSA-N 431.562 2.431 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358960767 LMZBIKCZTZJUPR-QGZVFWFLSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1358989622 JWPWSVMIGVIWGL-DEOSSOPVSA-N 438.528 2.357 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(C(C)=O)CC2)CC1 1359038401 VGFGSGCGANQUNF-UHFFFAOYSA-N 434.588 2.077 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCC[C@H]2C)CC1 1359039321 DMLDFGWVMPVCAN-LJQANCHMSA-N 426.540 2.236 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359053443 NLASFEAUMHVTEP-LJQANCHMSA-N 440.617 2.348 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359227009 QZZYQMCDOUHJRN-GOSISDBHSA-N 426.477 2.293 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359290827 QWSRNOWYGMXBFA-SJLPKXTDSA-N 439.564 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)c2ccccn2)CC1 1442349137 YDODBEVLVMRAMG-SFHVURJKSA-N 429.521 2.343 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1449101445 GJZFOQFOLUNCEZ-QWHCGFSZSA-N 429.867 2.402 30 10 IEEE Cc1cc(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)ncc1C#N 1455960194 ZJBPEKUUJVBLKP-MRXNPFEDSA-N 428.489 2.324 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1464702929 RIUFHMAANOTQHL-ZHRRBRCNSA-N 432.496 2.106 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1465527675 ARKLRLMWGIVFHW-QWHCGFSZSA-N 432.930 2.217 30 10 IEEE C=CCSCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1469762031 ZNJICVCUSHTXEV-CQSZACIVSA-N 445.326 2.393 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1476177800 MSQAQKUOGFVYIF-UHFFFAOYSA-N 449.451 2.336 30 10 IEEE C[C@@]1(Cc2ccc(I)cc2)CCCN1C(=O)NCC(=O)NCC#N 1478602953 RKBCQJDFLPAFRZ-KRWDZBQOSA-N 440.285 2.038 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1492492374 ASCYBRKVHOMEOD-MAUKXSAKSA-N 431.562 2.472 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)CC(F)(F)F 1503608123 SFMCNVMDZUEAEE-FQEVSTJZSA-N 447.465 2.027 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1504944508 VTAKCWJYWYJQMB-HTAPYJJXSA-N 429.521 2.316 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOc2ncccc2F)CCO1 1505321093 GOMGWTXPCSMORH-INIZCTEOSA-N 439.407 2.195 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC(F)F)CCO1 1505324055 ZQFCLNDNMSTHOM-QGZVFWFLSA-N 429.431 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507631220 MWZJPZYEYUVHTJ-HNNXBMFYSA-N 430.559 2.022 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CCCO)CC1 1507752000 RFVWVRRHSNNMLU-UHFFFAOYSA-N 431.562 2.361 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C 1507958857 ZNGSBHZYXQOGNZ-CYBMUJFWSA-N 437.342 2.295 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507960322 RKGJLAVTRWRGHP-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1N1CCOCC1 1507981331 GNKBVBGFSFSGMM-UHFFFAOYSA-N 428.512 2.047 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1 1508106993 WORQMCXJZYAUFM-ULQDDVLXSA-N 449.577 2.115 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508132329 WZXFBDYUEFPWLK-MSOLQXFVSA-N 439.626 2.082 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCCC2)CC1 1508135990 DEKMRKMGHGLFRG-UHFFFAOYSA-N 430.578 2.006 30 10 IEEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511113956 XQPKLIXIEXLFDE-YBQMXPOVSA-N 446.515 2.305 30 10 IEEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCNS(=O)(=O)CC 1513830949 CTLAUOUXRQVFKL-UHFFFAOYSA-N 428.562 2.335 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1520529804 IOJNZSPMFOPODQ-UHFFFAOYSA-N 436.545 2.157 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCCCO)CC2)c(F)c1 1521102391 VTQCMZGSYOVTNN-GOSISDBHSA-N 428.512 2.282 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCC2)CC1 1521136676 HEZNPXMKMRFULX-UHFFFAOYSA-N 427.553 2.047 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2ccn(CC(F)(F)F)n2)cc1 1525819625 SDOUTRPRSFVCAL-JLPGSUDCSA-N 443.451 2.439 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccn2ncc(Br)c12 1525869036 BLYZQWWORGNZCZ-LBPRGKRZSA-N 426.278 2.109 30 10 IEEE CC(C)(C)OC(=O)Cn1cnc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)n1 1526731123 LLWGTWKQTXECRC-UHFFFAOYSA-N 426.477 2.285 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1534418717 ORNYYXLIRACRSN-IRLDBZIGSA-N 426.538 2.265 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCS(=O)(=O)CC)c1 1539037317 DRNNHNSRJXUYFZ-MRXNPFEDSA-N 431.562 2.283 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCO[C@H]1C 1539301946 XLQSOBNDYTWWDR-MHECFPHRSA-N 430.512 2.338 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCS1(=O)=O 1539307555 VSBLFEGVEYLINP-KRWDZBQOSA-N 431.949 2.424 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1COCCO1 1539654860 GMTDQXDOVOHGNK-SFHVURJKSA-N 449.577 2.013 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539662339 SBQBUZBRLLSOEJ-IEBWSBKVSA-N 447.609 2.285 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1539722125 LBXIYJMFJMLQCH-OAHLLOKOSA-N 432.491 2.082 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1540869545 PPGNUYAEWDIIJK-UHFFFAOYSA-N 449.534 2.412 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540872410 OYEIGPOJCLMMPU-ROUUACIJSA-N 426.565 2.099 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1540919987 KQRRVMCBFOCUOM-KRWDZBQOSA-N 429.594 2.122 30 10 IEEE C#CCN1CCCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC1 1544083964 BBKMHKLUSLDHGQ-UHFFFAOYSA-N 425.533 2.229 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1556782282 BRITUUANKJLFKS-IBGZPJMESA-N 443.935 2.167 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)C1 1565346640 USSKBEGITOVKFH-NSHDSACASA-N 426.336 2.420 30 10 IEEE C[C@@]1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCCS1(=O)=O 1565661516 FNOGLUVDWXGVMA-WMZOPIPTSA-N 440.363 2.125 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1c(Br)nc2n1CCOC2 1567332747 RMACDMAJKAGLQI-UHFFFAOYSA-N 428.250 2.189 30 10 IEEE C#C[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC 1569721174 BDXBUEBZCSNNSP-SWLSCSKDSA-N 427.295 2.134 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1584286189 ACGMBSQGMSGZEG-UHFFFAOYSA-N 431.901 2.435 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)CC1(C#N)CCOCC1)CC2 1585694253 VQVNKJJVYFRHQK-UHFFFAOYSA-N 429.517 2.195 30 10 IEEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H](C)CS(=O)(=O)CC 1586205376 VZPHRVKAASMBDE-CLIJALBYSA-N 441.594 2.445 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN[C@H](c2cnn(C)c2)C1 1586675144 BOSZVFUDQALNFF-INIZCTEOSA-N 448.321 2.005 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1587822944 GYSOEXAKOWTMSI-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C=C)cc1 1588646718 MBDKUUODWLGZMX-HXUWFJFHSA-N 428.558 2.152 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)C(C)C)CC1 1588763136 SAXBAWNJYJHMQV-DEOSSOPVSA-N 433.560 2.497 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1593722210 LZCUEIFMXGHUSJ-GOSISDBHSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595543947 CEUVPWWLGWUJFP-SJORKVTESA-N 448.568 2.315 30 10 IEEE C#CCN(CC)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1597334815 XASNQTNIZCMCKA-UHFFFAOYSA-N 426.311 2.231 30 10 IEEE C=CCn1cc2ccc(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2n1 1597381271 PYCGAZYEWQKMFF-UHFFFAOYSA-N 442.497 2.301 30 10 IEEE Cc1cn2c(n1)[C@H](Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)[C@@H](C)CC#N)CCC2 1612347089 QIRHZFYXOJMRJO-YESZJQIVSA-N 431.566 2.001 30 10 IEEE C[C@@H]1CCCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1612808265 DTNOAPKDKUJWPA-YLJYHZDGSA-N 428.512 2.457 30 10 IEEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1613341860 CNVHBXGIWKRIQL-VQIMIIECSA-N 426.521 2.036 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1619614586 MCCFHSPZJHECLC-MSOLQXFVSA-N 426.496 2.296 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1622126264 UUKILUUOOFMXKM-UHFFFAOYSA-N 438.322 2.041 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCNc2ncccc2C(F)(F)F)c1 1624975473 GGCYYWPTOFLUCX-UHFFFAOYSA-N 428.436 2.407 30 10 IEEE CN1CCN(c2ccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn2)CC1 1629315329 NPJZKZPYSUTSPS-SFHVURJKSA-N 430.553 2.037 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1631821895 YYBAGIFJNGBVIM-UHFFFAOYSA-N 430.501 2.247 30 10 IEEE Cn1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c(I)n1 1632424733 AISMKLZDJHRKLG-UHFFFAOYSA-N 435.269 2.249 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCC3(c4ccc(F)cc4F)CCCC3)C2)c(=O)nc1O 1634465640 FRAUVCYTUWPBFW-UHFFFAOYSA-N 429.427 2.177 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC12CCCN(CCC1)C2 1634626441 NSGPMIDKRAOMMJ-GOSISDBHSA-N 432.590 2.132 30 10 IEEE C#C[C@H](NC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O)c1ccc(Cl)cc1F 1635191968 SNCIURMMDRQPIP-JMPLFQLZSA-N 430.910 2.059 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)NCc3nc(C#N)cs3)C2)cc1 1638699835 PRIHHJKLNYDACE-OAHLLOKOSA-N 433.559 2.223 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1638841679 QOPWXTGCXGNCMP-DFGXFYAUSA-N 441.536 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC2(CC1)CNC(=O)O2 1639733907 FKMIRCHMKZMTPA-GOSISDBHSA-N 440.500 2.494 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C)c1cc[nH]n1 1645789482 UALMRCMRBYGVKQ-ORAYPTAESA-N 434.880 2.336 30 10 IEEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 1646157313 MLSQHFVZGHGGOA-UHFFFAOYSA-N 445.368 2.381 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 1648411667 WSYXFQKQTNGKTG-ZCXUNETKSA-N 437.418 2.044 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1 1652173188 NSGGUVZNWKRNPW-UHFFFAOYSA-N 433.574 2.087 30 10 IEEE CC1(C)C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1652997371 DFZHFEXWVFZHJJ-HNNXBMFYSA-N 440.363 2.229 30 10 IEEE C#CCOCCN(C)C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 1654000781 VIDDWKHVBJIQIC-UHFFFAOYSA-N 431.470 2.426 30 10 IEEE COc1ccc2cc(CN(C)C(=O)[C@H](C)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc2c1 1660310173 UEWFRIMTQNSPSE-GRWTVWFQSA-N 441.553 2.065 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)cc1 1669190757 PGYRJEGCURKLBP-SFHVURJKSA-N 430.530 2.384 30 10 IEEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)C1 1672437737 IUSZHJFUCUDRPD-UHFFFAOYSA-N 434.562 2.492 30 10 IEEE C#CCN(C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1686620783 SSACQMVBHGHCCC-HNNXBMFYSA-N 432.329 2.154 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1689827507 GIPXKNUXCGIOIB-DAYGRLMNSA-N 433.603 2.377 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1conc1COC 1689851527 SBAWLIQEAPAZHU-INIZCTEOSA-N 436.520 2.093 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1689972737 ZMXMUEBSEICHOA-IRXDYDNUSA-N 430.553 2.144 30 10 IEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1c1cnn(C)c1 1690025551 VUOIRWZJOGWJJH-OAQYLSRUSA-N 443.555 2.375 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1690144401 XYFKTWXZAZDZBD-UHFFFAOYSA-N 438.507 2.289 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C)n2)CC1 1690145877 ACAHMFPAHRJTPW-HXUWFJFHSA-N 436.560 2.084 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(OCC(N)=O)c2)CC1 1690361587 ZRUZIXBVAQHYMP-UHFFFAOYSA-N 440.548 2.265 30 10 IEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1690444881 NMTKWONKSKKWES-UYAOXDASSA-N 433.516 2.046 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690510986 LUEJWQMLHIXENU-APWZRJJASA-N 429.496 2.304 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1695009505 DGAQJWAIZHPQPQ-UXHICEINSA-N 438.532 2.117 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCOC1 1696647421 QPLUSQILNFHGPA-KRWDZBQOSA-N 447.561 2.167 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1698491778 NVCQVZKLEVENQM-MSOLQXFVSA-N 438.523 2.268 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1705506177 SCSIYZUQXGZQKX-CVEARBPZSA-N 428.541 2.468 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1705529468 KFBLYAGOXFPSMA-UHFFFAOYSA-N 441.532 2.107 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705587881 MWQKETYYTYHTHF-CZYKHXBRSA-N 427.593 2.443 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)CC1 1705642892 KRDJRJLUHOFZIW-UHFFFAOYSA-N 439.951 2.356 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1705709032 KDXTZYFBBVLIRI-UZKOGDIHSA-N 434.500 2.439 30 10 IEEE C=C(C)Cn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728184 BDESIQRIBAQRTJ-REWPJTCUSA-N 433.597 2.443 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCOC1)c1ccccc1 1705740953 BXIVONKXRXCZFW-ZWKOTPCHSA-N 433.578 2.465 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC)CC1 1705769648 YVZLWWHCGMQVFJ-INIZCTEOSA-N 432.546 2.402 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C1CC1 1705858067 PDMFPOZUKKXFJE-UHFFFAOYSA-N 447.543 2.105 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(F)c2[C@H]1C 1705894359 WKTCEMBQKCUEPK-OAHLLOKOSA-N 426.496 2.079 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCO[C@@H](C)C2)C1 1705924493 DFWKITGBBUZOHT-PWRODBHTSA-N 433.597 2.454 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1705924840 GLCXEZCEVDNNIL-RTBURBONSA-N 443.523 2.441 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOCC1 1708477796 LQRCSMUXLYJZLK-MRXNPFEDSA-N 425.537 2.049 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1709413789 FHULIHUAHSZJIK-IBGZPJMESA-N 437.548 2.180 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC(NC(C)=O)CC2)n1Cc1ccc(C#N)o1 1711976984 IPVBNYLJMYFPJL-UHFFFAOYSA-N 434.500 2.495 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722335329 ATJDVUOHBRLVQJ-SFHVURJKSA-N 438.551 2.211 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1722361197 FOVWVZOYGQUWOV-LJQANCHMSA-N 438.557 2.085 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722366278 HEQSKZVVYCNRMB-FUHWJXTLSA-N 449.964 2.243 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1722381923 WDGHULGTNZOBNS-RTWAWAEBSA-N 446.555 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)C(=O)C1 1722491765 BXPGYWVAJKECAF-XLIONFOSSA-N 429.521 2.123 30 10 IEEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722602134 QOXDUGHHQMCIGL-UHFFFAOYSA-N 442.564 2.184 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1722680776 ZGFDYISSNLRSJY-INIZCTEOSA-N 436.557 2.077 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)F)CC1 1722694903 LWXJGBJOOLAQNJ-UHFFFAOYSA-N 441.486 2.183 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1722862761 FDJYDZUXWCLYBG-CVEARBPZSA-N 430.484 2.012 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 1722879187 AKEUUJPGABNZML-FRQCXROJSA-N 447.561 2.166 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1724650781 DCDFTVIJERZQIK-OAQYLSRUSA-N 430.578 2.247 30 10 IEEE CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1727159851 DGYWAWWKJOMNEB-XLIONFOSSA-N 426.569 2.468 30 10 IEEE CCc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727621632 HPRJBIMBIMPSSL-MKSIGINJSA-N 440.479 2.084 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1728590123 HZFKXLKSTMUIOV-WIYYLYMNSA-N 440.548 2.469 30 10 IEEE CN(C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1729341090 NFIOQAAQOZKIMR-QHCPKHFHSA-N 436.564 2.225 30 10 IEEE CN(CCCc1ccccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1729513623 WCICPBFTGQVSKH-XDOYNYLZSA-N 446.515 2.264 30 10 IEEE CSC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1731028577 BKONNOFBNXNEMU-KRWDZBQOSA-N 442.593 2.322 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740615464 FIKQFHNLQDZPAT-SFHVURJKSA-N 443.573 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740634947 QWWFAHIUIBBRKL-PMACEKPBSA-N 449.555 2.288 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC(F)(F)F 1740637577 FOKNOYLOWSPVFV-UHFFFAOYSA-N 447.465 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1740641816 NUUQELDTBUDGKZ-JOCHJYFZSA-N 434.588 2.264 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)C(C)C 1740652564 FCOYOOCDVIVXKY-UHFFFAOYSA-N 429.528 2.366 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740714108 RJQAESSVYTWMQJ-SFHVURJKSA-N 435.513 2.453 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740739614 WQNOUBVWAHWZIS-RWMBFGLXSA-N 431.287 2.025 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740804872 GSLQFOHIXPUCAP-IBGZPJMESA-N 437.953 2.064 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1740938024 VOPUZTJMSVICDD-LMMKCTJWSA-N 449.577 2.095 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740990356 ROSDUOBWOBGQAS-BEFAXECRSA-N 429.546 2.234 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1741302193 WZFJJEBQICYFNP-HSZRJFAPSA-N 432.532 2.340 30 10 IEEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCO1 1742950863 FKBAOJAQUVEMHP-SZVBFZGTSA-N 429.546 2.255 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1747731782 YYROXUKNCVAMLL-OALUTQOASA-N 429.546 2.115 30 10 IEEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)C(=O)OC(C)(C)C 1747931151 CNPVKRNHPUHHGZ-UHFFFAOYSA-N 445.568 2.397 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C 1748864269 ULZWEVIDDPZLJH-QGZVFWFLSA-N 426.952 2.275 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCO[C@H]1C 1748955979 DUJXBIOHBWUEMR-MGPUTAFESA-N 449.349 2.334 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1748999503 YUXFYTXUHYIFTI-DENIHFKCSA-N 439.560 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1749054941 ARGNKZDLBGOQLX-FGZHOGPDSA-N 429.521 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](COCCOC)C1 1749128357 UYGYOSPMMDPGAW-HBFSDRIKSA-N 430.553 2.149 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749230257 VYMFBVUXTMZFLC-LJQANCHMSA-N 441.532 2.043 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1749956058 GAOPFRXAUPRZRJ-WJOKGBTCSA-N 442.589 2.469 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760186903 RWLVIDVVOLGTMC-OAQYLSRUSA-N 443.617 2.412 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1760189779 WSGMRAUKVHBUOJ-DLBZAZTESA-N 426.608 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1760205424 AYSTUPQZUOMVGL-NFBKMPQASA-N 433.556 2.124 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1760212511 WMVQEWBXCITKNO-GOTSBHOMSA-N 445.633 2.219 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(C)[C@@H](C)CC)CC1 1760255680 GLHGWDKNVYRLEE-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760263040 LNSSBWOSPQPSRW-UHFFFAOYSA-N 426.609 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C)CCOCC2)CC1 1760269514 KKFQHCNRENWDBW-IBGZPJMESA-N 429.565 2.302 30 10 IEEE C=CCSCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1760568800 SWKFAPSLTZTXSJ-YYWHXJBOSA-N 438.594 2.234 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)cc1 1761074798 FKJPLUKPGJHEDQ-UHFFFAOYSA-N 437.548 2.427 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1 1761269939 GPZNXLDUJKEXGU-LJQANCHMSA-N 428.562 2.381 30 10 IEEE CC[C@@H]1CCCCN1CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1763321779 BDFIVZIJFOJRHU-LJQANCHMSA-N 425.585 2.091 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769520743 AKQYJOGDJFMRDQ-QGZVFWFLSA-N 447.547 2.450 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1769536107 WEWMTZSBLVJSOY-PKOBYXMFSA-N 438.532 2.211 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1769844706 CAVDKBOVPYRBRT-MRXNPFEDSA-N 436.557 2.452 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ncccc1F 1770202093 MXMKPKJCXYTETF-DKICVRJWSA-N 434.447 2.057 30 10 IEEE COCCOCc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1771259709 LXISKIZLUHOBHX-JOCHJYFZSA-N 448.527 2.204 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)CC1=O 1848635266 LGXIMHQSQOBYPQ-AWEZNQCLSA-N 437.466 2.490 30 10 IEEE COc1ccc(C#CCOCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1852160840 PNZKEHAJRKRXGT-UHFFFAOYSA-N 444.553 2.078 30 10 IEEE COc1cccc(C#N)c1OCC(=O)Nc1nc(N2CCN(c3ccccc3)CC2)n[nH]1 1852448707 KQUOZUHLYVBUTM-UHFFFAOYSA-N 433.472 2.029 30 10 IEEE COc1ccc(CCC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c(OC)c1 1852701439 UXKJGFBDSQCDQW-UHFFFAOYSA-N 434.500 2.165 30 10 IEEE C=CCN1C[C@H](C(=O)OCC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1=O 1853011837 VSQZWSNHAIBVOM-MRXNPFEDSA-N 440.949 2.318 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)CCc2cc(Br)ccc2OC(F)F)NC1=O 1853344970 LDQXSCLDVJOFSD-UHFFFAOYSA-N 444.232 2.304 30 10 IEEE COc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 1853360298 DPHNVBHOUSYXQJ-SJORKVTESA-N 428.489 2.221 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1=O 1854355326 WXQRDUWCLIJYQQ-IBGZPJMESA-N 429.542 2.255 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)c3cccc(Cl)n3)C2=O)C1 1854880956 LWDNXAPOAPDCEM-QGZVFWFLSA-N 425.876 2.286 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@H](CSc3cccc4cccnc34)OCC2=O)CC1=O 1854935026 LFNJKJLIFUHZTQ-DLBZAZTESA-N 425.510 2.115 30 10 IEEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1855161118 DESMMOBRFJVXRT-QZTJIDSGSA-N 430.574 2.396 30 10 IEEE CC(C)CS(=O)(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C12CCCC2 1856439723 GBFPRAGFCGLWBJ-UHFFFAOYSA-N 431.558 2.460 30 10 IEEE N#CCCN1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C(=O)C12CCCCC2 1856637885 ZISMTTAEURILNE-UHFFFAOYSA-N 437.949 2.401 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1 1858965197 OUUXTPWWBRRITO-UHFFFAOYSA-N 437.477 2.455 30 10 IEEE C#CCOc1cn(Cc2ccc(C)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870562611 OHZLZGLUBCZDMP-UHFFFAOYSA-N 429.524 2.329 30 10 IEEE CCOc1c(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cccc1OC 1873528905 JXJTVKDKPFJDTN-PCQWDSEFSA-N 440.909 2.110 30 10 IEEE Cc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1C 1874320420 QGCZROFJQIZIRD-LSFURLLWSA-N 427.486 2.345 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc(C)c1 1874433753 WPGYYZSSAZIZGC-ZVBGSRNCSA-N 429.531 2.292 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CC=C(c2cncc(C#N)c2)CC1 1891891553 QZEOYUXDVDCFNT-LJQANCHMSA-N 441.513 2.027 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)CNC(=O)OC(C)(C)C 2006263146 MESOVBCJGLGIBS-SWLSCSKDSA-N 427.361 2.229 30 10 IEEE C#CC[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(=O)O 2009955791 WYSIPVALKOEZMQ-GOSISDBHSA-N 429.517 2.139 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626703 ZZUBRJRYADIQIS-PBHICJAKSA-N 434.342 2.223 30 10 IEEE C[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CC(NC(=O)OC(C)(C)C)C1 2068019982 BHPIENPOIXSZJE-SIXLDLHFSA-N 435.374 2.134 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2124540431 HIVBMZPXVKDWDK-PPERFZGRSA-N 448.369 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](CS)C(=O)O 2229099973 SYKBGAOBLZZFPS-CHWSQXEVSA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243394871 NZORMEMIKMLXNY-LJAQVGFWSA-N 426.344 2.113 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247922760 MYFWTDICPXNPRI-OLZOCXBDSA-N 435.355 2.276 30 10 IEEE C=C(CS(=O)(=O)N[C@@]1(CF)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247961637 HOJPHTYZJLWOPU-LJQANCHMSA-N 448.366 2.443 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C 2255635494 HMLYROTUEJZWGG-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256677248 CDVZTEDSDGRNDM-BBRMVZONSA-N 435.330 2.248 30 10 IEEE Cn1ncc(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267011577 HVTZTLVRSHWCGO-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2267091450 IVVXKFWOACUSTF-PEBXRYMYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]1C1CC1 2267142221 REBMFKPAMTYRIJ-WMLDXEAASA-N 446.357 2.227 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1 2267148696 CHKUZVLVZMTJFC-HOTGVXAUSA-N 446.357 2.036 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2267182473 GYRKSFPHZSCDCZ-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267191889 JJAYZPSCNZPBGW-FXAWDEMLSA-N 436.365 2.416 30 10 IEEE CCn1cc(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267496855 FLMJXRNQMUMOKD-UHFFFAOYSA-N 446.357 2.038 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@H](C)CN1Cc1ccccc1 2267503082 XOZFILQEVBJSNZ-ZWKOTPCHSA-N 438.381 2.454 30 10 IEEE Cc1c(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505103 CSYNQEMABPVASN-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)CC2)n1 2267506388 XGYRORJAWMBUOC-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE COC(=O)[C@H](CC(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2268622962 MGSLGFHAPPEZPC-INIZCTEOSA-N 448.325 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H]2COCC[C@@H]21 2268648318 XXPMNTBUPRELKC-SQNIBIBYSA-N 448.369 2.400 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1(O)CCC1 2268701423 PRENTXRHHBZBQW-MRXNPFEDSA-N 447.341 2.128 30 10 IEEE Cc1ccnc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2268989199 FVYUGTRJUZTYHW-QGZVFWFLSA-N 440.305 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@@H](O)C#Cc1cccc(Br)c1 2278733049 PNOBDSMDZCRXQU-JKSUJKDBSA-N 444.347 2.099 30 10 IEEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)s1 2297056958 BSPXXXKSHPIBSD-SFHVURJKSA-N 442.541 2.299 30 10 IEEE COc1[nH]c(=N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317504260 XDXJBMDSUCVFSI-CQSZACIVSA-N 433.358 2.479 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2327379369 CNNVBUZKXAPSBE-CQSZACIVSA-N 434.346 2.227 30 10 IEEE COc1[nH]c(=NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339786795 RLEFCEFKMMYXHA-BFYDXBDKSA-N 445.369 2.479 30 10 IEEE COc1cc(NC(=O)c2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc(OC)c1 9530010 BBSIOWPKQSSQSS-QZTJIDSGSA-N 447.538 2.446 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)cc1 20527340 NYSWMWYLZUWDQV-UFFVCSGVSA-N 425.474 2.077 30 10 IEEE Cc1ccc(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1 20527421 NIWRSGCUEDKQQF-AWQFTUOYSA-N 427.446 2.335 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)cn1 20920671 GABPDFJFXAXTCI-GZIVZEMBSA-N 447.956 2.277 30 10 IEEE O=C(NCC#CCOc1cccnc1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 90733929 WPADBPNNRZNOKG-HNNXBMFYSA-N 428.286 2.396 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(F)cc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103101950 PTWBOWCHRFVEOJ-LYHOESIGSA-N 430.388 2.165 30 10 IEEE CNC(=O)[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(F)c(F)c1 106056943 VMBCKKQKBSEWRV-LJQANCHMSA-N 426.427 2.032 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 409492412 QCAQPPASBANOMY-RBUKOAKNSA-N 430.521 2.185 30 10 IEEE C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)n1nnc(-c2ccccc2)n1 463642303 DMNPRWLSWPZBFF-KSSFIOAISA-N 433.497 2.313 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 467277666 GUCUBHFEGSUXAQ-UHFFFAOYSA-N 445.492 2.415 30 10 IEEE CC(C)n1ncc2c1C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 481134681 BPEYHRKDSPAEKZ-PKOBYXMFSA-N 434.500 2.214 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 505495983 PVQMUFPGNMOBSB-JOCHJYFZSA-N 432.496 2.170 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C5(C#N)CC5)cc4)CC3)C2=O)n(C)n1 506841886 SGOJCKAOIMADGS-NRFANRHFSA-N 446.555 2.237 30 10 IEEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1 506908575 AELZXLKXVRSQSI-UHFFFAOYSA-N 425.470 2.134 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 508825192 DDNOISDHRDHFIF-INIZCTEOSA-N 425.942 2.087 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 516817762 KTRYGRMBAGBGES-OAHLLOKOSA-N 431.460 2.416 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2cc(Cl)cc3c2OCC3)CC1 542509235 QLTDLTHQOAKVAW-UHFFFAOYSA-N 445.928 2.222 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1ccccc1 549646445 OFYAEVALWPGSDB-MJGOQNOKSA-N 433.578 2.427 30 10 IEEE Cn1cc2c(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 549718670 WVHIKAFCKSUCMZ-GOSISDBHSA-N 434.500 2.135 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3c3ccccc3)CC2)c1C#N 556987348 XVZXYIHYNLUZRY-FPOVZHCZSA-N 434.544 2.091 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc(F)cc2F)CC1 570235865 JKLLEDDOOZEBKO-UHFFFAOYSA-N 434.468 2.095 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1-c1ccccc1C#N 609220027 ADTLJEQVZLKOAD-UHFFFAOYSA-N 446.507 2.247 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)cc1 609562083 CFCCHJJNLYVRQL-SFHVURJKSA-N 433.512 2.489 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 610809825 PIVSSURQHABUAW-OXQOHEQNSA-N 437.525 2.059 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCOC1 676727339 QOUUZSXQTVYPNV-ZDUSSCGKSA-N 430.476 2.097 30 10 IEEE COc1cccc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 726107090 YKRCFNPKFPLVPN-LWVPEANGSA-N 439.541 2.197 30 10 IEEE CC(C)CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 744405743 VPKOAISHTAFFBN-VCHYOVAHSA-N 432.590 2.393 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)N2CCN3CCOC[C@@H]3C2)c(C(=O)OCC)c1C 757757764 JIOZKVLBMGDGJL-AWEZNQCLSA-N 437.518 2.124 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 765278624 KNXBMTVKGJXGTA-HZPDHXFCSA-N 440.525 2.229 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1OC 768155906 HVFSWYUOGMLKND-GFCCVEGCSA-N 429.376 2.387 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 774211016 UOFBZXJYYQXQCV-NOCIGQNYSA-N 432.542 2.097 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)OC)C3)ccc2c1=O 775376259 ZOAYBMAZQHGYNX-ZFWWWQNUSA-N 430.530 2.468 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780983764 PTJBUPDAXYMVOB-PMACEKPBSA-N 427.888 2.304 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1 789154306 DYGUCXONCAFPJA-FPOVZHCZSA-N 443.935 2.300 30 10 IEEE N#C[C@@H](C(=O)CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1nc(O)c2ccccc2n1 796145707 NONVMCDUTGLIKV-HIFRSBDPSA-N 449.433 2.292 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(Br)c2F)n1 798456472 WCIFNXQZCMKHDV-UHFFFAOYSA-N 430.299 2.255 30 10 IEEE Cn1nccc1C1=CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 804199886 KWKBCWVZCDSSAP-UHFFFAOYSA-N 441.557 2.335 30 10 IEEE C#C[C@H](N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1)C(C)(C)C 807941169 MGLPFBWZKWFGFG-IRXDYDNUSA-N 445.589 2.138 30 10 IEEE C#C[C@H](NC(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1)[C@H]1CCCO1 812902980 NQUOCHKPOOWHED-GHBBCFCZSA-N 434.581 2.330 30 10 IEEE CC(C)c1ccc(OCc2nnc(S)n2N=Cc2nccn2S(=O)(=O)N(C)C)cc1 814776221 OKASPGCCMBSVED-UHFFFAOYSA-N 449.562 2.002 30 10 IEEE N#CC1(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CCCC1 917128663 NFWRUVULQBRJLG-UHFFFAOYSA-N 427.482 2.460 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 917925819 PGQMSGDYHPTYOJ-GOSISDBHSA-N 425.572 2.457 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3C(=O)OC)n[nH]2)cn1 1084373203 PSZPIRWRDPWQML-UHFFFAOYSA-N 440.489 2.151 30 10 IEEE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1nc(SCC(N)=O)n[nH]1 1084447783 JHUBZSCBMJYRJV-UHFFFAOYSA-N 439.549 2.313 30 10 IEEE COc1ccc2c(C)c(CCC(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c(=O)oc2c1 1124723376 KAEQLYHEHNSQBX-UHFFFAOYSA-N 437.456 2.113 30 10 IEEE C=CCN(C(=O)C[C@H]1C(=O)Nc2c(Br)cccc21)[C@@H]1CCS(=O)(=O)C1 1125953877 LCNDYSQBOCJCCZ-DGCLKSJQSA-N 427.320 2.077 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)COCCc1ccc(Br)cc1 1127138203 DYFITMHNRJRYLO-OAHLLOKOSA-N 444.333 2.407 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1134996689 QCRPIWODUPBFJV-NUJGCVRESA-N 425.432 2.209 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2cc(C=O)c(-c3ccc(OC)cc3)n2)c1 1136310317 FNSNXEBGDOCVNC-UHFFFAOYSA-N 430.464 2.450 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1 1152967213 AJEIVTBPLIHCHQ-UHFFFAOYSA-N 433.917 2.358 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1154057951 ALKNEXXQKPVMKP-UHFFFAOYSA-N 437.525 2.252 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NCC1(C#N)CCOCC1 1159206960 DYKVZSPAMHSPMS-GOSISDBHSA-N 447.333 2.414 30 10 IEEE CCCC[C@@H]1NC(=O)N(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1=O 1189416686 WYWQMNQBBJXFKU-QAPCUYQASA-N 441.532 2.467 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1221992974 NSKUZBANOSDUGF-SJLPKXTDSA-N 430.448 2.350 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3ccccc3SC(F)(F)F)C2)c(=O)nc1O 1251513034 CGKJBIVZHUYNSB-UHFFFAOYSA-N 425.392 2.199 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1286297181 AROVSELODXJLTI-KSZLIROESA-N 431.562 2.068 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2Cc2cnnn2C)c1 1286312617 WWCCNQPATCGAEN-UHFFFAOYSA-N 432.532 2.244 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286314398 CFJARNKRYDADBM-UHFFFAOYSA-N 436.560 2.158 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(I)cc1 1286358086 HGYXZBYXYGMAAV-UHFFFAOYSA-N 437.285 2.139 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)CCCN2C 1286402323 YMRJYKRRWDGJOJ-RUZDIDTESA-N 433.556 2.434 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1NC(=O)CC1(C)C 1286468750 ILLWGXVIPGODRY-HXUWFJFHSA-N 439.560 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cccs2)C1 1286811904 JSDQGIQHGAKRRP-HRAATJIYSA-N 431.562 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC[C@@H]1C 1286817340 LYXOMIVZWBFSEU-JKSUJKDBSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)c1nccs1 1286820440 LPCJQOSEVXGILZ-HZPDHXFCSA-N 439.607 2.469 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)nn1 1289349752 RBKPCIRNLMMQKQ-LJQANCHMSA-N 440.504 2.278 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1296619501 CIENUSCPDMVVAG-GOTSBHOMSA-N 444.580 2.463 30 10 IEEE CC[S@@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297818384 QFZMILYBGVHKCD-RKXCMPKHSA-N 448.543 2.092 30 10 IEEE CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1300154987 CQLBNYCCYQWMHJ-UHFFFAOYSA-N 426.542 2.251 30 10 IEEE COc1ccc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1O 1300167562 WJVAMCJWLZMPQO-VZCXRCSSSA-N 438.488 2.033 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1300299178 MADNYFKZZMFAQJ-MRXNPFEDSA-N 435.532 2.172 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1300305124 XBNJIBHVLOYRSB-LHKABPNQSA-N 431.581 2.248 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300428537 HLHRNEUWGKDQSC-TZIWHRDSSA-N 444.624 2.257 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1300485830 ZIOXMMMCXYRIQF-UWJYYQICSA-N 434.562 2.146 30 10 IEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300504427 NNGSNRMBQMGTFA-HKUYNNGSSA-N 446.573 2.081 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)c1ccc(C)s1 1300520584 HBZOMNWSQCHPGL-UHFFFAOYSA-N 443.554 2.268 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1300545708 VYSLIMAEQAKWTJ-LJQANCHMSA-N 440.498 2.054 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)CC 1300555380 YAEDDPBJPRUUJC-JOCHJYFZSA-N 427.936 2.485 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCCC1 1300663563 FESOLKZOJJADKD-RTWAWAEBSA-N 436.560 2.152 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cccnc1-n1cccn1 1300673798 ZQCUURWTMXDAQO-UHFFFAOYSA-N 448.556 2.349 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(F)F)CC1 1300689302 UAIMDAMSIKEURL-UHFFFAOYSA-N 437.516 2.149 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1300805365 AUUIWBGZKNVINW-PGRDOPGGSA-N 428.558 2.424 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)CC1 1301106232 RTYBMTOWKDSSIB-CQSZACIVSA-N 434.566 2.206 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301225502 GCEMOKFUFKCVNA-HXUWFJFHSA-N 437.592 2.363 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(Nc2cccnn2)CC1 1301507018 TWMACEYBNZCFMR-UHFFFAOYSA-N 446.559 2.350 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301577238 GIPYPEKMVKPZKA-SFHVURJKSA-N 445.589 2.239 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CCO1 1303004546 QXIJYGXTSWUDCX-SFHVURJKSA-N 440.891 2.160 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1303804937 WFVLZFGHIJCFIN-JKSUJKDBSA-N 445.593 2.057 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1305326586 GXRHBYLTSCWMSG-WCAVRKLYSA-N 439.564 2.172 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(OC)c(Br)cc1OC 1309889611 ZRHMGSDUKRUOCH-UHFFFAOYSA-N 431.352 2.184 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(S(N)(=O)=O)sc2C)c1C 1324631862 OUUAOHTWRZLSFE-UHFFFAOYSA-N 435.527 2.424 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1358908992 QMWBQUTXECZURB-IBGZPJMESA-N 440.573 2.386 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961619 BYYCMXLXODPRPW-NQIIRXRSSA-N 441.601 2.303 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCCC1 1358977068 BQMCDOQXHGJFHX-JOCHJYFZSA-N 430.556 2.336 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNc1ncc(Cl)cc1Cl 1358981228 BHKJDEYLQURLMQ-UHFFFAOYSA-N 446.342 2.287 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1359007766 VALGCTYLWABGME-GOSISDBHSA-N 449.559 2.410 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCC[C@H]1C 1359025721 XCBAYLMOECKFRX-MONBJTKQSA-N 426.517 2.428 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2c[nH]nc2C)CC1 1359031944 VJGVOAGLRMJCGZ-UHFFFAOYSA-N 449.559 2.382 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)COCc2ccccc2)CC1 1359034170 GJEDGMSZVAZCPA-HXUWFJFHSA-N 433.560 2.287 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359134929 LVQZTFHNIAMVPG-SFHVURJKSA-N 427.505 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359332335 VFYLJVKKGCXBDS-KRWDZBQOSA-N 437.610 2.230 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1440430037 BWAGHRRFVHJXTO-KHPPLWFESA-N 443.481 2.175 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 1452790935 NGFVTAUSACHKRL-BTYIYWSLSA-N 447.944 2.389 30 10 IEEE CS(=O)(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)F)cc2C(F)F)C[C@H]1C(F)(F)F 1461539287 OVYUCVNVPQAHOD-HZGVNTEJSA-N 425.326 2.192 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 1469506913 CYPIXIMLDMYIOQ-OAHLLOKOSA-N 442.887 2.418 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4sccc4CC#N)C3)[C@@H]2C1 1471432817 BBOLWDFLMJNHDX-OAGGEKHMSA-N 446.529 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1472148831 KPXGHAYFANAARX-HXUWFJFHSA-N 428.533 2.401 30 10 IEEE C#CCOc1ccc(CNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1 1477841410 FWGKDHPYOAIOBK-JOCHJYFZSA-N 434.540 2.395 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1503386024 GAVLJLUBBCRRIW-YZGWKJHDSA-N 428.512 2.343 30 10 IEEE CN(C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(C#N)C1 1503405348 VBIAOAXYNFPMFI-NFBKMPQASA-N 440.548 2.499 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1505074469 TYYAHHWVEHVSDN-SFYKDHMMSA-N 446.596 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC=CO1 1507521666 PBTINOUBJJEPSZ-WMZOPIPTSA-N 429.546 2.346 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C(F)(F)F 1507654368 ZUHCBGJQAGXOPX-INIZCTEOSA-N 436.459 2.320 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)c1ccccc1 1507670131 YAGYTZQWYDSZCG-FQEVSTJZSA-N 426.542 2.457 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)CC1 1507723779 UHJOWYBRSVLPIQ-UHFFFAOYSA-N 446.555 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](OC)[C@H](C)CC)CC1 1507739252 CYFYTGHLPOLIIK-WIYYLYMNSA-N 438.576 2.291 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1507748461 OINJSXIOUPUFRC-UHFFFAOYSA-N 447.008 2.223 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1507793665 FHLDCQUWKLJKBP-PKOBYXMFSA-N 433.578 2.220 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508093003 ABSQRUJJZFSGBK-UHFFFAOYSA-N 449.534 2.226 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1 1509436623 SIZJWWGVQDRROQ-MSOLQXFVSA-N 445.955 2.079 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1509941091 TYPRACOQJOUEDE-CYBMUJFWSA-N 436.442 2.304 30 10 IEEE CC1(C)SCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1510341396 GPTIRGTUJORAMQ-INIZCTEOSA-N 426.546 2.197 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1518642964 GOZVRWIVEATKLA-HKUYNNGSSA-N 426.496 2.250 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1518763323 BMSCIIJRMNOGSN-RTBURBONSA-N 444.511 2.018 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1519392316 MAIUFIAQINYBDU-UHFFFAOYSA-N 427.505 2.259 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1519521041 CUVAJERFOLMOSE-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE CSc1nn(-c2ccccc2)c(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1C#N 1531278391 NZSDFFOZQIONOA-UHFFFAOYSA-N 443.529 2.500 30 10 IEEE Cc1ccc(CN2CCO[C@@H](CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)cc1 1532337312 ITCVSDQLRQLIRG-GGAORHGYSA-N 432.524 2.237 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CC2)cc1 1535243219 SUEIWKITNYXMTD-UHFFFAOYSA-N 444.582 2.296 30 10 IEEE CCOC(=O)Cn1cccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1=O 1537574162 HEUFUAADWSATIQ-OAHLLOKOSA-N 434.493 2.327 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539231007 RYXIAIYTHJYQFA-SFHVURJKSA-N 446.573 2.217 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)N1CCOCC1 1539377553 KDCYQHJCHSPJAE-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)cc2F)CC1 1539480681 DHPKJWNESAFYLW-IBGZPJMESA-N 425.508 2.244 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C(C)C 1539616380 QJZHBDFSFBFASM-BDXSIMOUSA-N 425.599 2.494 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@@H]2C1 1539778768 HGUCFPNNGLHWNO-AWEZNQCLSA-N 441.761 2.319 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539802509 ZRNHYXMWVXNRRV-HNNXBMFYSA-N 431.990 2.175 30 10 IEEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 1539913295 CFFZXPKVJXOEHI-CQSZACIVSA-N 440.443 2.146 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539974657 SKPWIACSZSQTHL-HZPDHXFCSA-N 428.562 2.341 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1540861649 AOLPMCLTQBIXMP-GASCZTMLSA-N 430.940 2.256 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1542167824 ZONIQWFYKSUERD-SVMVAKDDSA-N 429.496 2.456 30 10 IEEE Cc1ccc(C(=O)N2CCc3c(CC#N)cccc3C2)cc1S(=O)(=O)N1CCOCC1 1543571983 CYEMQABUHMHKTR-UHFFFAOYSA-N 439.537 2.281 30 10 IEEE CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1547018633 CWVMRZLSDRTFLA-YJBOKZPZSA-N 432.550 2.138 30 10 IEEE CN(C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1)C1CCCCC1 1552639120 FAZMSRDHHSGWCD-UHFFFAOYSA-N 441.580 2.435 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1555987599 JPSXRQNNBOUHPM-SFHVURJKSA-N 432.475 2.009 30 10 IEEE COc1cc(C#N)ccc1C(=O)Nc1cccc(S(=O)(=O)NCCCCN(C)C)c1 1568968246 HQOKWLZZBGIWHP-UHFFFAOYSA-N 430.530 2.439 30 10 IEEE Cc1ccc(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)cc1S(=O)(=O)NCC#N 1583252759 MKQYKBUMEBRCFU-UHFFFAOYSA-N 437.424 2.091 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Br)c(C#N)n3)C2=O)cc1 1584525527 FPYPSSOMRNGKKU-LJQANCHMSA-N 442.273 2.430 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1587856595 NPKPZKSOJVDGLE-QGZVFWFLSA-N 431.518 2.181 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CCN1CCN(C)C(C)(C)C1 1588020795 XNXYFVOCBPSQDI-UHFFFAOYSA-N 440.592 2.351 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1589059237 CSHFMTNRYSAFTH-GOSISDBHSA-N 446.621 2.071 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)OC)CC1 1589294823 AYUQLZQLQDOWOV-CYBMUJFWSA-N 431.331 2.300 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1593729822 OAEFANBTGPJVDH-UHFFFAOYSA-N 440.548 2.008 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1594668249 GOUCQHRNFNLJJM-SFHVURJKSA-N 425.537 2.050 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1596951720 NTZWIOAYVPTWQI-IRXDYDNUSA-N 438.488 2.093 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ncccc2F)CCOC1 1610449243 XJDRHAJKZHEDQR-RTWAWAEBSA-N 448.474 2.374 30 10 IEEE Cc1csc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CCO2)n1 1612360785 WDMLJBCXWLXIPA-INIZCTEOSA-N 441.517 2.272 30 10 IEEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 1618337106 WWFSBELWZISZTK-KKSFZXQISA-N 445.516 2.142 30 10 IEEE C=CC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1618573362 MYQYYFDYAWBWSD-QZTJIDSGSA-N 433.574 2.495 30 10 IEEE CN(CCC#N)C(=O)CCN1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1620642812 KXKZAZGHAMWUPS-FQEVSTJZSA-N 437.382 2.036 30 10 IEEE C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1627729484 LBTNDMWJPVGJDS-UONOGXRCSA-N 429.473 2.219 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)ccc1F 1629627028 JGFJSDPEAAAYOK-WBVHZDCISA-N 440.518 2.355 30 10 IEEE CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N(C)C)cc1 1634109343 ZHXAWOOEIYRBPT-SXLOBPIMSA-N 444.580 2.414 30 10 IEEE C#CCC1(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CCOCC1 1635115326 CDFOEIUJGAFXDY-UHFFFAOYSA-N 428.510 2.173 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2)C1 1635200701 LEFZMEOIPMNXOX-IYBDPMFKSA-N 445.541 2.402 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCOCC1 1638275025 RJYDJNCYUFLWCY-UHFFFAOYSA-N 439.564 2.119 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 1641800770 NFKOSPNXXXUUHN-IAGOWNOFSA-N 441.525 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(CC(=O)N(CCC#N)CCC#N)CC1 1654478378 BIRXUQOWDCUOLB-QUCCMNQESA-N 433.553 2.037 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1654742316 AFTYLPREPLHZII-LPHOPBHVSA-N 428.489 2.257 30 10 IEEE CO[C@@H]1[C@@H](C)[C@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1(C)C 1658697894 DPWGJLVWGAOQPX-ZOCIIQOWSA-N 427.505 2.104 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)CC1 1676560945 IQTFNBYSMMCPFL-OAQYLSRUSA-N 434.606 2.377 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)c(OC)c1 1682389717 PCXSRIYWIGDSAH-TZIWHRDSSA-N 434.496 2.143 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)CCO2 1684057661 HWNXNGWGCNZXET-YHHIVYBXSA-N 427.505 2.040 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1689892262 BGZRLVVCXJMMNZ-SFHVURJKSA-N 443.573 2.367 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1689979986 JZPOOSSIYDUICH-GDBMZVCRSA-N 437.591 2.070 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCOC1 1690043897 RTYHNBDMCNOBTP-SFHVURJKSA-N 430.512 2.082 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1690101429 ZYBCVEAOAHZVLJ-IAGOWNOFSA-N 436.516 2.353 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690131051 SNNPKFHDGCMUIS-QHCPKHFHSA-N 434.588 2.077 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690245182 DYXRDRKORKWFNK-LZWOXQAQSA-N 443.470 2.104 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1690717534 IYRPOAJJONAJFM-SFHVURJKSA-N 429.546 2.279 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ncn(C)n1 1691865300 CYCFPALNESCQOL-UHFFFAOYSA-N 425.928 2.430 30 10 IEEE CCc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694751434 HAVDAMLPYAKCMB-MKSIGINJSA-N 440.479 2.084 30 10 IEEE CCOCCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1696394368 CVXCBPQYGVKTMU-INIZCTEOSA-N 444.561 2.205 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1696462695 SKQJVOLXTVSXID-GOSISDBHSA-N 442.589 2.338 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C)cc1Br 1697381182 GYBCJZYOFXQEEG-ZFWWWQNUSA-N 449.353 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1705491593 FQZABAZLUQQJTR-LSDHHAIUSA-N 428.514 2.441 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1705583342 WCFHCXXJUSILPM-OFNKIYASSA-N 449.555 2.100 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(N(C)C)CCSC2)CC1 1705636855 AAWNINQJODJHAX-QFIPXVFZSA-N 428.581 2.277 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)C2CCCCC2)CC1 1705642360 QNPDWBIOYGJUAN-DEOSSOPVSA-N 439.608 2.226 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1705827444 FXVLTKRSFHFGMU-SFHVURJKSA-N 427.505 2.371 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705833270 ZVILNYAWXVEVPF-UHFFFAOYSA-N 428.484 2.296 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@H]1C2 1705912957 ZOVDXDJDRRSYEC-RYRKJORJSA-N 431.562 2.490 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706342987 WHLKNXVJOTVYGJ-KTVWJZFRSA-N 435.532 2.273 30 10 IEEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1706840336 APXJGXWXTJJJLL-UHFFFAOYSA-N 425.461 2.009 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCn2cc([C@H]3CCOC3)cn2)CCOC1 1710416897 NUNMZVMMFZEQTO-KGVIQGDOSA-N 443.552 2.069 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1712543058 KOUVDVUGXGGIKQ-HXOBKFHXSA-N 440.548 2.474 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 1712583401 YXCSZFDPAHSMBS-UHFFFAOYSA-N 434.504 2.334 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@H](C)C1 1712648292 SFDOSKMRAKOKLG-TUFLPTIASA-N 446.596 2.243 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C2CCC2)CCO1 1712884059 FUAADVVAQRARGD-GOSISDBHSA-N 426.496 2.043 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)nc1 1722296442 PYNMPTVWVZSWRL-GOSISDBHSA-N 445.575 2.419 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1722305722 KZJVNXNBCCSEDW-DLURIOCPSA-N 440.548 2.181 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1722331934 AYXHCCZSCYKFGT-LPHOPBHVSA-N 449.552 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@@H]1OC 1722376533 RMMYDPXFRWMBND-YOEHRIQHSA-N 432.322 2.160 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1722421510 NPZBKZRWRYRCBT-XDOYNYLZSA-N 434.475 2.461 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722558467 ORJYPTNVWAXCLV-LJQANCHMSA-N 444.967 2.321 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722582365 HSZRXSZVXCCBDF-UHFFFAOYSA-N 448.531 2.184 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722609009 PURYWDFSIFFYLC-GOSISDBHSA-N 436.520 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722693938 GCSCCQDTVWGYLO-KDURUIRLSA-N 427.549 2.395 30 10 IEEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCO1 1726476836 DJUUVOAIJMHUTG-SZVBFZGTSA-N 429.546 2.255 30 10 IEEE CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1728293560 QOSPVZXZJZACIQ-MRXNPFEDSA-N 441.513 2.480 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1729374697 AYFUIIZPDPNTEA-DEOSSOPVSA-N 449.559 2.179 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1740537538 FGJWCUREOGIUAZ-SBUREZEXSA-N 443.523 2.346 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1740620250 COBKQIUCALYMGO-IBGZPJMESA-N 431.562 2.030 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(COC)CCOCC1 1740681522 OFRNVPBNCKFJIN-UHFFFAOYSA-N 442.516 2.203 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl 1740940350 BXAOHMSSDRVFDY-DYESRHJHSA-N 433.940 2.429 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1740985985 WIZFUEOSYFXVEW-PGRDOPGGSA-N 429.496 2.256 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1746435146 DTHYBRNHHRUZDQ-PMACEKPBSA-N 429.613 2.328 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)C1=O 1748046866 GELQYAUCHXSUOO-XXBNENTESA-N 438.532 2.212 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(F)(F)F 1748404955 KDVVDMXNESNBFG-HNAYVOBHSA-N 436.438 2.486 30 10 IEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1748719386 ZRIHFDJISCRTQY-UHFFFAOYSA-N 434.544 2.449 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)F 1748766115 FYGKBBJXDZNXAF-UHFFFAOYSA-N 427.415 2.082 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1748978970 SCZDIQBJANJOBP-VGSWGCGISA-N 444.605 2.254 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1749034297 YYYBULKUEJNMLP-UHFFFAOYSA-N 445.614 2.174 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749126911 HTPZSJFDODFJJE-QFBILLFUSA-N 448.593 2.115 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749428840 CHEKCPBEQXMSQT-CQSZACIVSA-N 428.459 2.090 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)[C@H](C)CC 1760102102 FEOZKOXNUFEWEY-MSOLQXFVSA-N 446.621 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCCC1 1760215146 PZXNKCLRBDPITA-UHFFFAOYSA-N 430.516 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccccn1 1760216495 PWFMFGZJNCUUIV-UHFFFAOYSA-N 447.568 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760327552 IPGNQVSTNUSWJF-ONTIZHBOSA-N 433.597 2.344 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1760336361 XZNPZCCMLFEJNN-UYAOXDASSA-N 439.564 2.481 30 10 IEEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760378914 BNNPPHBATIOHMI-SFHVURJKSA-N 428.924 2.375 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C 1760412880 UACUSXRKGMKPNO-BBWFWOEESA-N 425.599 2.448 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1760505083 KEXFBORMEDGHRE-QGZVFWFLSA-N 436.553 2.472 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760518924 MAUPLCRSHUXJOR-XMMPIXPASA-N 438.576 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1760522742 CYMSJFKSJSVCCD-UHFFFAOYSA-N 443.502 2.126 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558552 SDOIAIJPJQLXFT-BBTUJRGHSA-N 440.610 2.402 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1760744712 KYZNAGWLYNCIPA-MJGOQNOKSA-N 438.532 2.259 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1765470391 AGAYSCNHKCGZLP-APWZRJJASA-N 426.521 2.235 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1766192901 SRCJAUZOEGCUIH-IRXDYDNUSA-N 426.521 2.428 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1=CCCOC1 1767634619 LXGICKJQFZHIEL-SFHVURJKSA-N 425.489 2.331 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(C#N)o1 1768973337 UGSQCXMEOCIQOE-UHFFFAOYSA-N 436.472 2.080 30 10 IEEE COC[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1769222614 IJMVWPSCPIYAPQ-QGZVFWFLSA-N 449.563 2.016 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nnc(C)s2)CCO1 1769490769 ZALASSBCSZDFDT-SFHVURJKSA-N 439.545 2.461 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)F)CC1 1770741069 VHYVSGQEJCUEOG-QGZVFWFLSA-N 447.490 2.047 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1770785512 AXDAIJNZJROKCP-MOPGFXCFSA-N 426.496 2.392 30 10 IEEE COCCCOc1cc(C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1771059166 BRKHICSPPZHICI-PMACEKPBSA-N 441.532 2.283 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1771530371 JHMCTSCDAFARRV-VKJFTORMSA-N 446.449 2.225 30 10 IEEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)CC2 1849457901 PISBRAQCTRXWEB-GOSISDBHSA-N 433.921 2.063 30 10 IEEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CSc4c(cccc4OC)C3)C(=O)C2)C1 1856837117 ICBGPNSAWPHXNA-OALUTQOASA-N 429.586 2.281 30 10 IEEE COc1ccc(OC)c(/C=C/C(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 1860636362 YFEPARYABPOFBC-GQCTYLIASA-N 438.480 2.359 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(OC)c(OC)c1 1861062315 OVOBAMRWWFOJOD-LJQANCHMSA-N 426.469 2.272 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(CC(C)C)c1=O 1861286912 JTQVJUGIWOMOLH-OAQYLSRUSA-N 439.512 2.073 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1862738002 PULNADDCHUKLSI-KRWDZBQOSA-N 427.369 2.464 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3F)CC2=O)cc1 1870110769 HWJGYFOSMRYHDY-HNNXBMFYSA-N 434.431 2.337 30 10 IEEE CCCCCCCCN=c1nc(N(C)CCO)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712208 VOWAKHWHYVQAPK-UHFFFAOYSA-N 430.553 2.431 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2CCCC 1873554148 ISRPNUWHYXHUMG-UHFFFAOYSA-N 426.565 2.160 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H](C)CC 1873841163 OGVMBLCSOJUNOZ-XLIONFOSSA-N 435.590 2.229 30 10 IEEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCC(N)=O)cc1OC 1874383583 SJPZCPQXYXCZPG-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 1889626937 CBFBWXLPFIVDBY-UHFFFAOYSA-N 433.618 2.114 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@]1(COC)CCCN(C(=O)OC(C)(C)C)C1 2006233365 HWWCPIOPJGDGQO-OAHLLOKOSA-N 427.361 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1cnc(C#N)cn1 2010470110 HGRKGAZJZJBHPV-INIZCTEOSA-N 425.445 2.314 30 10 IEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060824454 XGIGQHLXPZIADC-NJDAHSKKSA-N 442.560 2.495 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N[C@@H](CS)C(=O)O 2229110915 GTPGCIMOUQRFQP-OLZOCXBDSA-N 447.351 2.384 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2235733210 ZTKFGFRMQKMHEU-KZNAEPCWSA-N 439.350 2.385 30 10 IEEE C[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2243685690 ZYCQERAPGYHIQP-GFCCVEGCSA-N 425.360 2.486 30 10 IEEE CCN(CCCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255622711 DFQQEIZPVMCZIY-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CCC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2255625821 XOOHZUASCDOKQF-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638242 MEKAYRFASDOCLH-VNHYZAJKSA-N 449.382 2.428 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255679565 HPLBFTVXIQLNHC-QHCPKHFHSA-N 442.390 2.414 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2255696185 QCYXLKZJGGXKDE-IYBDPMFKSA-N 431.342 2.158 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C1 2266992008 NTYBCHNTYYTHFR-SMDDNHRTSA-N 444.259 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267217825 MPNDILNMKUCVKZ-ROUUACIJSA-N 446.353 2.086 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2267288080 ZWFLKOFQPGOXNG-NHCUHLMSSA-N 437.349 2.039 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCCN1C(=O)OC(C)(C)C 2267497058 INFOWBJNBZDOED-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CO[C@@](C)(CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267508057 ZBDLHKFZQJQVSP-QHCPKHFHSA-N 443.353 2.071 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268629153 SAGYFHJWIAUTJI-CVEARBPZSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCOCC1 2268630315 IZCFSGPLSLLLCA-UHFFFAOYSA-N 447.341 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]12 2312974222 HYSLBAUUVKGOLF-RRMDADRESA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2326103122 JYWZLJIQBNLYDR-ZSTWQFLISA-N 440.544 2.407 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2)cc1OC 2326735858 JHZHVRKJTBOGEE-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2326878786 DVXCQYCFSFXPPX-UHFFFAOYSA-N 428.470 2.389 30 10 IEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 2329045196 ZPHBUUCSEMYRSX-HNNXBMFYSA-N 433.534 2.073 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2334264782 NACPJMZVXWUXII-INMHGKMJSA-N 443.353 2.366 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1C 2337190604 PRJFKUJBEBNFBO-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)c2ccc(C#N)cc2)c1 18962243 QKEUPRPCTURNBJ-UHFFFAOYSA-N 441.509 2.448 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc1OC 20292711 CXKGYQBYPMQPGM-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)NC2C3CC4CC(C3)CC2C4)n[nH]1 20423947 LQCANYHWPYXVSB-ODCIPOBUSA-N 428.566 2.326 30 10 IEEE N#Cc1ccc(CSc2nc(CC(=O)N3CCN(c4ccccn4)CC3)cc(=O)[nH]2)cc1 23243361 XJCCPCZODGTVJA-UHFFFAOYSA-N 446.536 2.220 30 10 IEEE C[C@@H]1CN(c2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cc2C(F)(F)F)C[C@@H](C)O1 301160988 PENXHLVWIXWNDO-VXGBXAGGSA-N 437.422 2.332 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccc(Br)cc2)sc(=Cc2ccccn2)c1=O 433027818 XCAPWWFUCQWHTD-UHFFFAOYSA-N 440.322 2.473 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCC#Cc1cccc(C(F)(F)F)c1 440082917 VKQSSKXELLEMGE-QBPKDAKJSA-N 438.402 2.192 30 10 IEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCc2ccnc(O)c2C1 460554594 JJCFWTNUTPLSDM-UHFFFAOYSA-N 429.484 2.431 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 508845256 AYWJJSNYZZSZON-IERDGZPVSA-N 446.577 2.199 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 508854792 DUWFSIICZFTNMU-HNNXBMFYSA-N 442.486 2.327 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 509009932 GDBDWWIQYQZUEZ-YADHBBJMSA-N 444.539 2.489 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CNc2ccn(-c3cccc(F)c3C#N)n2)c1 510123548 DWHOFNSGKDXGIP-UHFFFAOYSA-N 431.424 2.476 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2OC)c1=O 514489918 CQDLASNZKXNHGM-UHFFFAOYSA-N 432.501 2.499 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCOC3)CC2)c1 555449006 FKBFZSZYMSSMMP-WIYYLYMNSA-N 439.516 2.322 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCOC3)CC2)cc1 573306311 FAUVPGFMHNZDJR-QFIPXVFZSA-N 443.555 2.494 30 10 IEEE C=CC1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 599687744 VOLVQQCCCQKLJU-UHFFFAOYSA-N 429.336 2.227 30 10 IEEE CC[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1OCC(=O)NC 604127872 JMSNGRSHJFNFMK-IBGZPJMESA-N 436.516 2.061 30 10 IEEE N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611670646 GBPDKFBJQHDWOC-UNMCSNQZSA-N 429.542 2.399 30 10 IEEE C#CCOCCN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br 688041379 CQRKTSWPDYKWTB-UHFFFAOYSA-N 426.130 2.064 30 10 IEEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730137691 HHHKKYSXGWBCIJ-INIZCTEOSA-N 426.970 2.376 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)cc1 730143509 UGHANYNJTANTJO-SFHVURJKSA-N 429.546 2.491 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c(C)c1 730143778 VHTSBDOEGHZGFP-HKUYNNGSSA-N 432.590 2.482 30 10 IEEE N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cn1 734601408 DTUWURGNDZENTP-UHFFFAOYSA-N 442.497 2.313 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 735866165 JXVKEEHSEHFYMF-UHFFFAOYSA-N 443.548 2.436 30 10 IEEE Cc1nc(=NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)n(-c2ccc(C#N)cc2)[nH]1 740691067 OFBDVRYJZVLEGX-UHFFFAOYSA-N 435.387 2.415 30 10 IEEE COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1C#N 746857531 HYDYHFQTCAAFSI-INIZCTEOSA-N 431.489 2.423 30 10 IEEE C#CCN(CC#C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 752150803 QGHFUPISAASYLT-CYBMUJFWSA-N 429.361 2.006 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)cc1 752845759 PPNXHGKEGYFGCI-TZIWHRDSSA-N 436.560 2.285 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCC2CCS(=O)(=O)CC2)C1=O 768421150 KIUIHKDYMPCESF-QGZVFWFLSA-N 437.587 2.278 30 10 IEEE C[C@H]1CCCN1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 769867240 ZQJRHGIAYYAXFB-ZJYNUGOYSA-N 428.580 2.421 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 771587669 ZVFNFWLDTCWMKB-ZDUSSCGKSA-N 434.440 2.260 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 790843014 MWMHLZNGJCPVBR-OAHLLOKOSA-N 428.532 2.231 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 798080683 JJNVTWHUZBEDOU-CVEARBPZSA-N 435.546 2.134 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CCC(C#N)CC1 799736188 XXHYCQWVDRJAME-TVPLGVNVSA-N 435.546 2.162 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)ccc1F 805265808 SNAFOSCGGVRXLH-BBRMVZONSA-N 441.525 2.418 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCc2c(cccc2N2CCOC2=O)C1 812178965 NKHXFKHFHIISTO-LJQANCHMSA-N 425.489 2.461 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cccc(C)c1 916779239 PSVQIWMMEDBNOZ-KRWDZBQOSA-N 449.554 2.097 30 10 IEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccccc3)n2)cc1 1084533747 XSHZMXPOIMEQGH-UHFFFAOYSA-N 445.530 2.019 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)ccc1F 1134695429 BDHFKFHHVYGYIE-IBGZPJMESA-N 448.472 2.039 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 1160340137 VXBKGOBMILWFCP-UHFFFAOYSA-N 430.549 2.476 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2COc3ccccc3[C@H]2O)C1 1160373863 CCTLKSNBZCXPTI-QFBILLFUSA-N 428.286 2.368 30 10 IEEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C(=O)OC 1161357680 SYLWEUPZQVAEDN-OAHLLOKOSA-N 447.340 2.075 30 10 IEEE C#CC1(O)CN(C(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)C1 1256172721 SFHXGXZSBZWPLX-UZUQRXQVSA-N 427.501 2.279 30 10 IEEE COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2sccc2CC#N)c(O)nc1=O 1264066037 WISIOGORXZZFMS-UHFFFAOYSA-N 439.497 2.152 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1264080985 BMIWWUAGCFJXQV-RBUKOAKNSA-N 441.509 2.330 30 10 IEEE C#CCN(C(=O)c1cc(C)n(-c2ccccc2Br)n1)[C@@H]1CCS(=O)(=O)C1 1264995693 PMNZUJJAEFWYCY-CQSZACIVSA-N 436.331 2.206 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(C(N)=O)CCOCC1 1286400103 WDTFTCWEIUCZRB-HXUWFJFHSA-N 449.555 2.390 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCS(=O)(=O)C1 1286416945 ZWALPLUQHOSTAC-IBGZPJMESA-N 435.553 2.179 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1286490389 SSPNPBUPQFGLJF-GOSISDBHSA-N 444.539 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(OC)CCCC2)CC1 1286494972 WWKGOVFITJORKG-LJQANCHMSA-N 429.565 2.445 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286538159 MLFXIHYIFWAQHU-OAHLLOKOSA-N 447.399 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCOC1 1286567843 WXEWYNYUTWQWJN-BXWFABGCSA-N 431.562 2.476 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286594499 UROXOFFVSWQROY-SIKLNZKXSA-N 437.592 2.219 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286785162 GOJLVNHTIZKNOI-KRWDZBQOSA-N 439.564 2.019 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286816061 HVEJASLYDRWDAQ-HOCLYGCPSA-N 439.969 2.456 30 10 IEEE CC1=C(C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1289129009 RPMCLTSCIJCQLA-DQRAZIAOSA-N 433.516 2.337 30 10 IEEE C[C@@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCO1 1289339289 NQMVHOSRNKQIRD-JOCHJYFZSA-N 425.510 2.188 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1295083373 FKQBSTVQXFRGNK-GOSISDBHSA-N 426.521 2.068 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 1299164666 FYHXUPFJLYOMEA-INIZCTEOSA-N 445.463 2.044 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCNS(C)(=O)=O 1300323333 YUAVVGWBXXZCJH-KRWDZBQOSA-N 433.578 2.296 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCS(=O)(=O)CC)c1 1300331282 HHZSAUYUVKPUCO-UHFFFAOYSA-N 431.562 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1300488732 VJATYAQTQPQNAF-KRWDZBQOSA-N 432.546 2.005 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)(C)C 1300618290 DDALVAZBZIRKOO-UHFFFAOYSA-N 445.593 2.003 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300755226 OSSOZYUAELVZSR-KRWDZBQOSA-N 435.557 2.164 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC 1300922537 KTPANZHJZYEAIV-OWCLPIDISA-N 426.510 2.189 30 10 IEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300971694 FHLTVMCXAFILJW-KRWDZBQOSA-N 427.553 2.205 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300999895 JEGAXVBUECEXMY-KRWDZBQOSA-N 429.521 2.125 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1301295797 AHMUVNJTKFAHGT-QGZVFWFLSA-N 437.591 2.026 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1301298059 YCFJOUYJEMMCIM-ZDUSSCGKSA-N 434.953 2.391 30 10 IEEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1301452155 JKKWBYSMDFKQMY-PZJWPPBQSA-N 427.549 2.268 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCC(C)CC3)CC2)nnc1C(C)(C)C 1301518120 FZASXWBIVPCGRM-UHFFFAOYSA-N 430.597 2.353 30 10 IEEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1302805012 GDAIFHLGDUYDDX-QYZOEREBSA-N 435.594 2.371 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1 1302921499 HPOLTBLVLBSFDB-UHFFFAOYSA-N 447.944 2.144 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCCCCC1 1304002590 UMTJQXBAAKCELY-FVJLSDCUSA-N 439.578 2.247 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC[C@H]2C)cc1OC 1315378394 GZCULVWGAFQWPH-DLBZAZTESA-N 428.537 2.421 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC=CCC1 1316568869 ZQJQTZZKHCNBAC-ZPHPHTNESA-N 425.880 2.286 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1358924919 NJVWHJSGDWPIJP-KRWDZBQOSA-N 430.530 2.143 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCC)CC1 1359038239 ONBBXUOGZJYVRW-UHFFFAOYSA-N 433.560 2.342 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359083225 FBNBZKHMXRCOFQ-HUUCEWRRSA-N 439.358 2.469 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1359458785 UVUJIRYIJHEZON-OAQYLSRUSA-N 437.548 2.244 30 10 IEEE Cc1cc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C)c1 1361010600 CBVZPMHCJYPGSC-UZLBHIALSA-N 434.541 2.304 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 1436252487 ZGMBWEYEUGZYAP-XLIONFOSSA-N 448.589 2.479 30 10 IEEE N#Cc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C(F)(F)F)c1 1438754459 IPQYSHLIOGCZEA-INIZCTEOSA-N 443.403 2.206 30 10 IEEE CCCNC(=O)c1ccc(Cl)cc1NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1441726366 XVZUFRKYVKSKHB-UHFFFAOYSA-N 435.868 2.125 30 10 IEEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)sc2nc(C(F)(F)F)ccc12 1457200570 WHVGWKFYECWLDB-UHFFFAOYSA-N 435.387 2.455 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1 1465259605 ZGLZAVABADIJTN-GOSISDBHSA-N 428.514 2.202 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)ccc2OCc2ccccc2)CC1 1466313967 MIJHCKYJQTXSDN-UHFFFAOYSA-N 442.541 2.191 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 1469913319 TUYCIGHEAFLKNX-DNVCBOLYSA-N 429.498 2.198 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c(=O)n1C 1473069029 AXGMEPKMEDZJEY-HXUWFJFHSA-N 441.491 2.157 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)CCC1 1502399317 DOJSPUYEFXGRSQ-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE CCSCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503349595 ILPLEEXNIHMGDR-IBGZPJMESA-N 428.610 2.460 30 10 IEEE Cn1ccc(CCn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1503660649 CXTHFWKHTVQNLP-HNNXBMFYSA-N 442.321 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1507515845 ITBBDKOBKIXXCC-NJINODPHSA-N 425.599 2.330 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Cl)cn1 1507522463 WAPSRZOIHWYKME-AWEZNQCLSA-N 432.937 2.357 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507582192 DHPWOEMONXBWBA-UHFFFAOYSA-N 426.521 2.114 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507590348 BFJVCJNTQVSCFM-HSZRJFAPSA-N 438.507 2.236 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC(C)C)NC(=O)OCC 1507611984 QQLHKPGQFPTQHM-OAHLLOKOSA-N 430.509 2.236 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507629215 RMZSIYFNODPNIO-IAGOWNOFSA-N 449.964 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCCC 1507651528 BYYZQUNAHYLHRA-UHFFFAOYSA-N 432.484 2.311 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cc3ccccc3[nH]2)CC1 1507719795 QHRMEBBHJLZRAO-IBGZPJMESA-N 436.560 2.481 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1507753641 NDOCBORTZRIPKQ-HXUWFJFHSA-N 438.601 2.134 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1507771736 HWLNEXUZAOFKCZ-YZZKKUAISA-N 426.517 2.398 30 10 IEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)N(C)C 1509105442 AVUBIJQTUAKZIV-WOJBJXKFSA-N 437.548 2.434 30 10 IEEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOCC1CCOCC1 1509216023 KIISANCTZQSXJS-NRFANRHFSA-N 430.597 2.486 30 10 IEEE CC(C)OCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1509848987 ZSUHYJHCBWAPJO-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCCO2)C1 1510289938 GAPKFYIOCUJTHZ-AVRDEDQJSA-N 430.553 2.116 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@](C)(O)C(C)C)cs1 1511547930 OYURUWOMCSODFU-GHTZIAJQSA-N 429.594 2.217 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCOC(C)(C)C 1512368185 OQNKTMHBUUNIIW-QGZVFWFLSA-N 449.563 2.475 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1518832659 HWETVMZGZQAFQT-SFHVURJKSA-N 449.515 2.304 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCC[C@@H]2CCCCO2)cc1 1521094417 DLZWLAZULHUPQQ-IBGZPJMESA-N 429.546 2.401 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(F)F)CCO1 1521122072 SGKNXGGRWUZHOI-NSHDSACASA-N 431.241 2.394 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNc2ccccn2)CCO1 1521122549 WREZIGQVNPRXCM-GOSISDBHSA-N 434.460 2.479 30 10 IEEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1523647134 PNPJLDBVYVQZTR-SFHVURJKSA-N 449.573 2.065 30 10 IEEE COc1cc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3C[C@@H]3C#N)C2=O)cc(OC)c1OC 1532471942 IBRGYNYCKUEGGL-DKMDKWEQSA-N 431.470 2.025 30 10 IEEE N#Cc1ccc2c(c1)CCN2C(=O)c1cc(I)ccc1-n1cnnn1 1535597127 GXSJAWWHIBOTPC-UHFFFAOYSA-N 442.220 2.341 30 10 IEEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCO1 1538844483 QGHWXQCWKJRJEA-GOSISDBHSA-N 429.901 2.021 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1539216230 PNUNGGKUTFGJJX-KRWDZBQOSA-N 433.603 2.418 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(OC)CCOC1 1539403224 ORMSIJMQEZUACT-OAQYLSRUSA-N 434.924 2.499 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539506510 JUNGSGLXJKUTKF-MRXNPFEDSA-N 443.573 2.386 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1539676145 KHTBASLRJUFCKK-SFHVURJKSA-N 427.553 2.204 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NC(C)C)C1 1540893206 YPUGPCPMGFPPBL-QFBILLFUSA-N 427.505 2.097 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1541064246 IFMMSSOURRGDDU-JOCHJYFZSA-N 440.573 2.037 30 10 IEEE Cc1nc(CCn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1542938033 NFXNFNUGDFZKCO-ZDUSSCGKSA-N 443.309 2.106 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1548045806 FUQBSOFYYVCCHL-YGCDDZCOSA-N 440.504 2.378 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1555558057 KNBWGWPMULAIKV-NRFANRHFSA-N 430.940 2.367 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(Br)n2)CCO1 1555996406 ZKDMMCCCTDIVHH-MRXNPFEDSA-N 440.305 2.198 30 10 IEEE COC(=O)c1c(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc2n1CCC2 1557688495 IEMOOLZGSFXOFP-ABTIHDLSSA-N 443.504 2.341 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)Nc1ccc2c(c1)B(O)OCC2 1586561656 MBIIHTYXMSRKPD-NRFANRHFSA-N 447.300 2.291 30 10 IEEE CC1(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)CCN(c2ccc(Cl)cc2C#N)CC1 1587162159 PYFZBLZJLJSVIH-AZUAARDMSA-N 428.920 2.424 30 10 IEEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1587621641 BQXNORAMXIPGAH-RBUKOAKNSA-N 427.482 2.407 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1587738987 NDTDYVBIQIDASC-SFHVURJKSA-N 438.532 2.322 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1587883477 BUWTVWVYDKBKOM-NRFANRHFSA-N 431.500 2.454 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588045781 QLBAXIJPWDSMOS-HOTGVXAUSA-N 442.570 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCC(F)(F)CC1 1588180810 LCOLLUIEEUWODW-HNNXBMFYSA-N 427.521 2.177 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)CC1 1588741359 BPVZFPKLVLXEQF-GOSISDBHSA-N 437.523 2.403 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](N2CCCC2=O)C1 1589305480 RLDYEIFVJRTCBN-GJZGRUSLSA-N 442.358 2.112 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1589530533 WJIZSGPOINKBQI-YLJYHZDGSA-N 427.553 2.109 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1595475146 AXOWIJBSHVOPBV-HNNXBMFYSA-N 430.578 2.426 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C(N)=O)CC2)cc1 1595614357 SJJOVIJQUQHPGG-LJQANCHMSA-N 425.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](OC)C1 1595822039 GDOJPCHTKYRBQH-LJQANCHMSA-N 434.562 2.300 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CCCO1 1612977444 DEZNZBJAOFIZAZ-GOSISDBHSA-N 442.589 2.393 30 10 IEEE COc1cccc([C@@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1619333476 DBTZNLRRSMPUFS-FCHUYYIVSA-N 447.543 2.304 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1 1632967253 LHDZHXYPVHVLIO-IBGZPJMESA-N 449.960 2.440 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(c4ccc(C#N)cn4)CC3)C2=O)cc1 1633493044 ICQAVXGEBSTNGC-DEOSSOPVSA-N 447.495 2.135 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 1635079118 OCADFZYMDOTVSS-ILXRZTDVSA-N 437.990 2.247 30 10 IEEE CC(C)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1637018982 KJUAWLDVNRRGAA-HXUWFJFHSA-N 426.517 2.472 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 1640916202 MWZRMAFKDTXDLV-CVEARBPZSA-N 428.470 2.325 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2ccnc(-c3ccccn3)n2)c(=O)c1C#N 1641513835 TUDZURZEDCBAPH-UHFFFAOYSA-N 425.246 2.335 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)C2)c1 1641580025 GTYZUJFJBMMOBA-UHFFFAOYSA-N 439.269 2.240 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1 1645700092 GIDWBCFTRUVFKE-ZDUSSCGKSA-N 430.486 2.214 30 10 IEEE Cc1ccc(Br)c2[nH]c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc12 1648028795 OJJGWMXGFMSRFU-UHFFFAOYSA-N 428.246 2.070 30 10 IEEE CCN(CCC#N)S(=O)(=O)N(C)[C@@H](C(=O)OC)c1cc(OC)ccc1Br 1664041766 FHMVXIIWWQIJLM-OAHLLOKOSA-N 448.339 2.084 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)n1 1665135300 RDCTWEKTMVOHSU-UHFFFAOYSA-N 439.516 2.122 30 10 IEEE C=CCCCS(=O)(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1670404318 PNPZLXONLGVHGZ-KRWDZBQOSA-N 431.599 2.462 30 10 IEEE C#CCN(C(=O)NCc1ccc(CC(N)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1683046898 NCMUVENJJPJJAX-UHFFFAOYSA-N 428.533 2.259 30 10 IEEE C=CCN(Cc1cccs1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685668619 AAJYJLRYKKAWRW-HVEKOLDVSA-N 426.560 2.345 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1Cc1nncn1C 1690092487 KRGXCFOEXVSANG-UHFFFAOYSA-N 433.495 2.095 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1690110189 BEFJDISBLTWXRW-UHFFFAOYSA-N 427.549 2.405 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690469402 NWSNMQRIVDDACK-MRXNPFEDSA-N 436.557 2.112 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCOCC1 1690665462 DWJRORSRFJOACN-UHFFFAOYSA-N 429.521 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1690722404 IAKDVFWQSPUPBN-UHFFFAOYSA-N 449.540 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690723532 VARLFNNETMNTAJ-UHFFFAOYSA-N 435.594 2.128 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694040374 DCCFSDUXMAAYEW-IAORGOLBSA-N 438.536 2.045 30 10 IEEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1697636380 CZIUQBQPWWHHSK-UHFFFAOYSA-N 434.500 2.389 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Br)n2)C1 1698482750 INHBGQWDIKGEPZ-SFHVURJKSA-N 448.300 2.162 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Cl)cn1 1705553604 ZNCSLKHOHYFQLP-UHFFFAOYSA-N 425.928 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCCCC1 1705598070 AQXIEIUPPGWWOH-IBGZPJMESA-N 432.590 2.383 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCO[C@H]1C 1705627193 YIQHITJTFKZGRN-GAJHUEQPSA-N 437.500 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705645216 OEAMLLKMQYEKEF-SFHVURJKSA-N 432.569 2.102 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1705797587 YVQQKLZAUQMTJC-CEXWTWQISA-N 443.573 2.212 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(F)F 1705900611 JPAOKQCEKZNHDL-UHFFFAOYSA-N 445.474 2.069 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)C1 1705914619 COPMYWBUTFZJSV-SJORKVTESA-N 448.593 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CCc2ccccc2)CC1 1705929964 BSDMIIYEBFMQCL-UHFFFAOYSA-N 431.606 2.367 30 10 IEEE C=CCSCCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705939877 OXBPVYVLIXRZEX-UHFFFAOYSA-N 448.637 2.261 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1706745164 VIWCVODEDGBJMX-LAUBAEHRSA-N 443.573 2.036 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)[C@@H]1C 1708283316 FIEYWXWLAGLAPY-HZPDHXFCSA-N 446.602 2.182 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOC(C)(C)C 1710734746 NBPLLHLFMYQLAZ-INIZCTEOSA-N 428.541 2.006 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722358886 GNJSCWBQXVHEKV-MJGOQNOKSA-N 445.589 2.205 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1722369823 HIVLMMYNGGKIIX-HXUWFJFHSA-N 430.574 2.246 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1CN(C(=O)OC(C)(C)C)C1 1722371037 RMQSTUPDYWHSDT-UHFFFAOYSA-N 442.564 2.136 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSC(F)(F)F)CC1 1722433339 RFDLZFIUMDZHTF-SFHVURJKSA-N 447.527 2.327 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCc1nnc2n1CCCCC2 1722515987 SBTPMZXDGABXHR-UHFFFAOYSA-N 426.569 2.364 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1722527844 SHEGDIKFOMYLKT-KRWDZBQOSA-N 425.541 2.147 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722547284 DLXINSIUOUFDQT-INIZCTEOSA-N 439.951 2.358 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722558768 XRZSJONKVOBMKT-ZYSHUDEJSA-N 436.988 2.261 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OC)C1 1722710528 KJMIWMNVGHOXBB-XMSQKQJNSA-N 429.521 2.163 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)COCCO2)C1 1722723204 WRHYVVKUFHWDGE-NZQKXSOJSA-N 444.532 2.453 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1722869301 HYEXUZGNIMYABN-LJQANCHMSA-N 425.581 2.010 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1727924586 AGLPPXPDJFCPDP-PKOBYXMFSA-N 440.548 2.159 30 10 IEEE CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1728005370 QWAJVRJASKDOEP-KRWDZBQOSA-N 437.552 2.081 30 10 IEEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1730679679 GVUXPPSOXVBHDH-HXUWFJFHSA-N 438.532 2.277 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(C)CN(C)C1=O 1730763665 XSBMXOFJRMCGJD-QHCPKHFHSA-N 449.515 2.445 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1nnc2n1CCCCC2 1730828264 YPXISOXJGYYJCG-INIZCTEOSA-N 428.541 2.108 30 10 IEEE CS(=O)(=O)CCOCCn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1731008447 PDDQOTYQECGLAQ-UHFFFAOYSA-N 437.591 2.122 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740566194 DATKGRAGOBFUMO-IBGZPJMESA-N 449.559 2.472 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1740608282 NKNVGQHVJCVCDL-VGSWGCGISA-N 433.553 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(=O)NCC 1740654507 KRGATLKGAMIONE-UHFFFAOYSA-N 431.544 2.142 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1740661603 GHLHLYJFLFYLOA-QAPCUYQASA-N 433.603 2.378 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740902468 MUFIDPPVRYVVCN-UHFFFAOYSA-N 432.576 2.471 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1740952920 QTTKYYZTHUFGQY-CQSZACIVSA-N 448.321 2.009 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740992070 MFBHTXCAOAGGGK-XGHQBKJUSA-N 440.610 2.240 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OC)C1 1740995640 SIGPTWPRQNVILF-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCn3ccnc3C2)CCOC1 1741127315 ZMORKCOPHJOEQB-HMFYCAOWSA-N 427.553 2.374 30 10 IEEE CC(C)(C)c1nnc(N(CCO)Cc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1741161422 XCJITKCJJNPKND-VXPUYCOJSA-N 438.532 2.101 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)O1 1744218681 LNNLAOATENREPX-VWKPWSFCSA-N 444.561 2.346 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)C(=O)NC 1748649591 QEWVPBUFORHFAB-CQSZACIVSA-N 429.521 2.201 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1748724344 ALYSVLSOHIIMBG-UHFFFAOYSA-N 443.573 2.244 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](Cc2ccccc2)OC)CC1 1748994483 IXCQPIPCDBIECV-QHCPKHFHSA-N 447.587 2.153 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCn2cc(C)cn2)CC1 1749000289 QSSOOGOYQWYMAB-UHFFFAOYSA-N 449.559 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1 1749010590 NMDBLTBSCSCORF-UHFFFAOYSA-N 439.523 2.420 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749106125 YHNGALATIRLSBH-SFHVURJKSA-N 433.310 2.203 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749122700 ZKHLHJWJWSVEME-DWLFOUALSA-N 430.597 2.091 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749128048 RDBDZNJUKFQGKG-UYAOXDASSA-N 441.580 2.355 30 10 IEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1749211056 RHSTVUJUXGFIFG-KRWDZBQOSA-N 439.568 2.457 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@H](CO)O1 1750645470 SDSWTPJSACEYPG-ZWKOTPCHSA-N 428.512 2.279 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1760233193 KGBMDXYMDFNZBF-GOSISDBHSA-N 432.594 2.383 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760313402 NSZAKMKBSHTOBP-SQNIBIBYSA-N 430.553 2.149 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1761363628 HVUHNAVBVHOKKN-HNNXBMFYSA-N 430.484 2.017 30 10 IEEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@H](C(F)(F)F)O1 1763044822 WJIXKEKMIQVUBX-IUODEOHRSA-N 438.410 2.183 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1765650692 AFDFMLYHMKQKFZ-UHFFFAOYSA-N 447.547 2.333 30 10 IEEE CN(C)[C@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCSC1 1766908196 XPNRRPSFTWSDNF-VFNWGFHPSA-N 448.543 2.313 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CC1=O 1767525986 DEKFZWHXNIORBR-NRFANRHFSA-N 426.546 2.293 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1769034207 CIJCCBGYYCOEDS-NRFANRHFSA-N 425.443 2.295 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1769273928 YGBFLMZPHUWSLW-SJORKVTESA-N 427.440 2.071 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nnc(C)s2)CCO1 1769490766 ZALASSBCSZDFDT-GOSISDBHSA-N 439.545 2.461 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1770803636 YKIZOYKEWUIIEZ-GOEBONIOSA-N 443.401 2.481 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1772566606 VRWUYYAMVGJZKB-SFHVURJKSA-N 437.548 2.406 30 10 IEEE C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1851053872 LPTGOJFEFLKGPO-OAQYLSRUSA-N 431.602 2.305 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)OC[C@@H]2CCNC(=O)CO2)N2Cc3ccccc3C2=O)cc1 1851119230 GPAMRHDPIQAVGP-PZJWPPBQSA-N 433.464 2.094 30 10 IEEE Cc1ccccc1-n1nncc1CN1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3C)CC1 1851264123 IFZQHOBAALEFCJ-UHFFFAOYSA-N 440.511 2.292 30 10 IEEE CCc1ccc(-n2nnc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)c2COC)cc1 1851402995 IALNWZKNYFWKSR-SFHVURJKSA-N 434.456 2.220 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(CCn4cccn4)CC3)cc2)c1C(F)(F)F 1852228575 BOEIECFHJBYHBO-UHFFFAOYSA-N 443.433 2.417 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(Cl)s3)C2)CC1 1855873497 VVIPMLAQSCLUBK-CQSZACIVSA-N 429.933 2.479 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 1862735356 ITMDTTDMJFRWOO-GOSISDBHSA-N 427.388 2.448 30 10 IEEE COc1cc(C(=O)N[C@H](C)C(=O)N[C@@H](C#N)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867794146 GUJVXTPQHLZTAU-CJNGLKHVSA-N 426.429 2.420 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCOC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706692 AKKNJJZTQBLHJV-UHFFFAOYSA-N 429.481 2.003 30 10 IEEE O=C1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)cc2)CN1Cc1ccccc1 1874208706 MMKBEYUTBPHWPF-XNQWGTPPSA-N 437.525 2.466 30 10 IEEE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1990493290 ADUVKUKXQJFATR-JKSUJKDBSA-N 425.574 2.309 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@H]4COCC[C@@H]43)c(Br)c2)OC1(C)C 2172780741 UWTJSLTVYLMYMH-GJZGRUSLSA-N 425.132 2.137 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCF)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248406259 WIHJEIGXSACPRT-CYBMUJFWSA-N 443.350 2.311 30 10 IEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254744840 UQPOMOYIUHBLNA-BBRMVZONSA-N 436.314 2.214 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545214 MLCCEWQCUYNIEH-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255657642 RZIPODFTUCMGSB-CQSZACIVSA-N 436.362 2.047 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256028798 HSTNLPJPPAEZNN-HZPDHXFCSA-N 433.358 2.032 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256623042 OWROIUFVMJCEMW-CQSZACIVSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)[C@@H]2C1 2266064626 CVWSNIOVMROHKC-CVEARBPZSA-N 449.332 2.344 30 10 IEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999758 OSDPXEQZICYCOP-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]21 2267145103 DRHBZSTYYPHYSO-COXVUDFISA-N 446.357 2.227 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267514565 BAYQZIWOMSVYJF-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267564794 VSYYSJBSNJYBSS-HZPDHXFCSA-N 449.357 2.116 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2267596653 PPDKQWRVHNLQHC-LJQANCHMSA-N 437.349 2.012 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267802000 MQWQQAQRWFNAQR-CYBMUJFWSA-N 448.325 2.136 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 2282600078 SFOPKIYAKHATTL-LJQANCHMSA-N 449.364 2.052 30 10 IEEE Cc1cc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2282684498 RFAPPKGOZODGPB-QFIPXVFZSA-N 449.404 2.498 30 10 IEEE COc1[nH]c(=N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2317503206 KKPODSQCWDMCGI-FRFSOERESA-N 431.342 2.231 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337210438 ZTJKHUZDDKWYLQ-CABCVRRESA-N 448.373 2.237 30 10 IEEE N#C/C(c1nnc2n1CCCCC2)=c1\s/c(=C\c2ccccn2)c(=O)n1-c1ccccc1 9090871 YHFLIAIYQFPUDX-MAIQYKLKSA-N 440.532 2.163 30 10 IEEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)N1C(=O)C(=O)c2cc(Br)cc(C)c21 16893865 DWGWUDUJHJJWNQ-CYBMUJFWSA-N 430.262 2.309 30 10 IEEE C[C@@]1(c2cccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c2)NC(=O)NC1=O 426326892 NJJYZIJQBCALSC-BEFAXECRSA-N 427.258 2.498 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN(c3cnccc3C)CC2)c(C#N)cn1CCOC 439373489 PJXTZEXDEQVEGI-UHFFFAOYSA-N 440.504 2.240 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1SC[C@@H](C)C#N 441237117 REWUSJYRJOXVAS-FQCQXKDLSA-N 445.541 2.302 30 10 IEEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3cccc(OCCCC#N)c3)nn2)cc1 447202396 LBSFLVYMOVRWDP-UHFFFAOYSA-N 434.456 2.213 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(COC)o2)c1=O 481588234 NYZVFPRQKYPPMK-UHFFFAOYSA-N 438.505 2.454 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccco1 486041406 FQXYTIBJSDPLDC-SFHVURJKSA-N 428.514 2.361 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1C#N 489044489 QFCAIIMBKGTUSR-UHFFFAOYSA-N 448.570 2.080 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CN(C)Cc3nnc(C)n3C)c2)c1 492268106 IVLMWWXWTCPUCN-UHFFFAOYSA-N 431.496 2.380 30 10 IEEE C[C@H]1CCc2c(sc3nc(CCC(=O)N4CCN(C(=O)CC#N)CC4)nc(O)c23)C1 503608062 GFWCZEPFPSDZTI-ZDUSSCGKSA-N 427.530 2.039 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCCN(C(=O)CCc3ccccc3)CC2)c1 513786800 NRNGCMPKEWWIEN-UHFFFAOYSA-N 425.554 2.499 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CCC1 516350663 NGUFKBFUVFFRBB-UHFFFAOYSA-N 447.948 2.032 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)n1 520553691 LWBFKQFQUKZIES-XWIAVFTESA-N 428.443 2.018 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-] 523952244 WEGHHHWZPNKNJK-FQEVSTJZSA-N 448.483 2.123 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 532622689 CVAVOKXWBJBALG-NVXWUHKLSA-N 435.546 2.195 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1=O 542123683 QDVMDIDGRFKNDT-KRWDZBQOSA-N 433.434 2.281 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3csc(-c4ccccc4)n3)CC2)n1 551251998 HGUHGOYCDVZRSC-UHFFFAOYSA-N 432.509 2.042 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)Cn2cc(Br)cc(C#N)c2=O)CC1 581338904 YMTPBCCZMHZSHV-OAHLLOKOSA-N 429.318 2.388 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC3(C#N)CCCC3)CC2=O)cc1 585705385 YXMHRCCTUBANQP-MRXNPFEDSA-N 432.546 2.023 30 10 IEEE COc1ccc([N+](=O)[O-])c(C(=O)OCCN2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 586398315 VWPGJUBFVARVGI-UHFFFAOYSA-N 438.440 2.090 30 10 IEEE COc1cc(CNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)ccc1C#N 589615125 SZVUPUHZYNKAQQ-UHFFFAOYSA-N 432.477 2.245 30 10 IEEE N#C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(Br)cc1 733254633 ZPRWOWIVZVBPLK-DLBZAZTESA-N 426.274 2.250 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 734293711 IXYYVPVPEDKTCO-FQEVSTJZSA-N 448.504 2.108 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)c1 735276330 XKEDTXSDIGYPCV-GOSISDBHSA-N 427.526 2.006 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCOCC2CCOCC2)C1=O 740617587 XEMDHJVHECBUAJ-LJQANCHMSA-N 444.557 2.459 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCO2)C1=O 741449682 OZOKOOCFYASSGC-MJGOQNOKSA-N 443.573 2.127 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1C#N 746775647 MFXONBUMPIKNJZ-XLIONFOSSA-N 427.549 2.089 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)n1 747966375 SLMXHMIWUGPKSL-SNVBAGLBSA-N 433.389 2.173 30 10 IEEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 750044803 ARVQMHNSIQTMDY-UHFFFAOYSA-N 430.505 2.346 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766611623 DAJBBBNTQVNYLS-CQSZACIVSA-N 435.864 2.350 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1OC 768153397 WANBSMSXZIHYDW-ZWKOTPCHSA-N 429.498 2.238 30 10 IEEE N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 770502822 DNPNFTSGMFGVGE-FYQHACEVSA-N 434.823 2.252 30 10 IEEE C#CCN(C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCS(=O)(=O)C1 774187543 QIGDAZWXDUTERB-OAQYLSRUSA-N 449.536 2.266 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Br)cc2OC)cc1 777825674 MZZKYHCGIXBHBD-UHFFFAOYSA-N 437.315 2.299 30 10 IEEE COC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2ncc(C(F)(F)F)s2)NC(=S)N1 788474769 AZBULEFMXQDRMV-JTQLQIEISA-N 428.417 2.386 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)/C=C\c2ccc(I)o2)n1 788818902 SAVRWQUFPUTNFZ-ALCCZGGFSA-N 439.253 2.402 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)CCN1C1CC1 792220758 DVLILXBCIFUNAO-KRWDZBQOSA-N 438.919 2.152 30 10 IEEE C[C@@H](C#N)OCCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 801817415 YESFDMVJGNBTSH-SWLSCSKDSA-N 431.308 2.074 30 10 IEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC)[C@@H]1CCS(=O)(=O)C1 812044788 NXVBLQXKCSXMHP-IAGOWNOFSA-N 432.546 2.463 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249173 JGDLKSAQSKBWGE-UHFFFAOYSA-N 442.491 2.397 30 10 IEEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 814730508 BPAWGHSLABSBRW-UHFFFAOYSA-N 446.345 2.274 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=S)Nc2ccccc2C#N)CC1 915995250 NHXZWGAPHCTBDQ-UHFFFAOYSA-N 445.526 2.478 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)S(=O)(=O)c3ccc(C(C)=O)cc3)cc2C1=O 916982594 JWHCHOCFBWGKOS-UHFFFAOYSA-N 426.450 2.132 30 10 IEEE C#CCCN1CCC(NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1136962504 ODEKSMKEVIHMPK-LJQANCHMSA-N 444.580 2.458 30 10 IEEE C#CC[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1)C(=O)OC 1141994946 DBOYBDZQJHNNFM-JKSUJKDBSA-N 439.281 2.264 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](N3CCOCC3)CC2)C1 1157589527 ZTZBDLWMGNWBHW-IBGZPJMESA-N 447.377 2.470 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)cn1C 1189220435 DXVAMVWRNPSNTR-GOSISDBHSA-N 434.514 2.163 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1208011726 CRRIYAIEKFJJTL-GDBMZVCRSA-N 425.938 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1286298766 OWGGKRWQJSOFOD-YSTOQKLRSA-N 435.638 2.396 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286495615 BAMRDCSOHUOUGB-KDURUIRLSA-N 443.573 2.364 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286509039 LXETZBWYXYNQQN-NVXWUHKLSA-N 444.557 2.219 30 10 IEEE C=C(C)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286599126 LIEKHDSTIPIQDO-YADHBBJMSA-N 430.553 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286784053 VHQHTRCGDIORCO-YWZLYKJASA-N 441.532 2.268 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)[C@@H](C#N)C2(SC)CC2)C1=O 1288177276 CDCSARWJEJFJQR-OXJNMPFZSA-N 430.530 2.017 30 10 IEEE Cc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)c(C)n1-c1ccccc1 1289361504 XWKXHZFFNATHFM-IBGZPJMESA-N 433.516 2.170 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2[nH]c3ccccc3c2C#N)CC1 1290915225 GZEXLKAIIAZENF-UHFFFAOYSA-N 425.489 2.287 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)c2ccccc2)CCOC1 1296662606 DYLVLSXXRVWPRT-KKLQWCBXSA-N 440.548 2.184 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(C#N)CC1 1298096919 ITGOYBYSHIWTDY-GOSISDBHSA-N 444.561 2.168 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300390866 BKGGEWOVCFQUEZ-MRXNPFEDSA-N 448.545 2.008 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300491228 FHZZHFSFCREJQW-WSTZPKSXSA-N 433.622 2.150 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCS(=O)(=O)c1ccccc1 1300536647 ZNXQBWAJWDBYQK-IBGZPJMESA-N 426.542 2.109 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCCC1 1300663561 FESOLKZOJJADKD-LEWJYISDSA-N 436.560 2.152 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1300692571 JMRPRYLMDSQSRN-FQEVSTJZSA-N 444.530 2.056 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C2CC2)CC1 1300716633 OGHKFHQMBRZKLG-UHFFFAOYSA-N 431.338 2.347 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1303186113 XMTYKMNTZFYJPF-IBGZPJMESA-N 449.559 2.036 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1303641313 AOVPGTOXQJIYDH-MRXNPFEDSA-N 433.472 2.377 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCOC2)C1 1303937802 UOYUKSADRJZGHW-XMSQKQJNSA-N 430.553 2.087 30 10 IEEE CCc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1305919151 UUMCSHCDZFAGLV-LQTLECTNSA-N 436.516 2.259 30 10 IEEE C[C@@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1312479636 LQTIIQIZBMICAP-IIBYNOLFSA-N 442.541 2.246 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C12CCC2 1314254703 KKEPEDVZZXUVQJ-BPNFLLTHSA-N 428.537 2.151 30 10 IEEE COc1cccc(O[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1315585080 GMSCOYOSQMWLDT-UWJYYQICSA-N 434.500 2.469 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)NC(=O)NC1=O 1318315363 LLPSULMCGKHXTH-DEOSSOPVSA-N 447.495 2.366 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1358917000 CYSNSEPMXUJGEH-UHFFFAOYSA-N 426.521 2.131 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC=CCO1 1359015496 VVQOMMJGPFBDJT-LPHOPBHVSA-N 447.536 2.012 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CCOCC1 1359060249 PAQGIDJGYQRLFT-UHFFFAOYSA-N 433.603 2.499 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359072516 GVQZHLOPEBYLQC-RUZDIDTESA-N 448.571 2.266 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359219331 NPPKDFNSSMPVAO-OAQYLSRUSA-N 426.613 2.322 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1 1359282014 PADJLLVJGUMQLR-GOEBONIOSA-N 439.607 2.388 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N(C)C)C1 1359311567 DCOOKCFSZLSRQH-SFHVURJKSA-N 426.521 2.017 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1359335496 MYUPOJGTDLDITP-QGZVFWFLSA-N 448.545 2.486 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1361255764 PFJDFJSKSOBJKL-YGCDDZCOSA-N 440.504 2.236 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)s1 1448239894 ATFYBRBIEWRTOR-INIZCTEOSA-N 449.554 2.073 30 10 IEEE Cc1nc(=NC(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 1456838950 SVQYJKVJMAQWOS-SJLPKXTDSA-N 425.489 2.335 30 10 IEEE O=C1C=COC2(CCN(C(=O)CN3C(=O)COc4cc(Br)ccc43)CC2)C1 1463087384 MZYHHPPLMURCIZ-UHFFFAOYSA-N 435.274 2.039 30 10 IEEE CSCC[C@H](NC(=O)c1ccco1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618465 VAWLUDBXLFFYBS-INIZCTEOSA-N 445.497 2.035 30 10 IEEE COC(=O)c1ncnc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1OC 1472739468 BMPWZAUGJWWTGH-OAHLLOKOSA-N 446.305 2.421 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](NC(=O)N(C)C)C2)n(Cc2ccco2)c1C 1473540820 BRXHRQQKTQLUHJ-KRWDZBQOSA-N 426.521 2.292 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3CC(=O)OC(C)(C)C)CC2)o1 1473610563 GZHMWGGGAWSKLZ-QGZVFWFLSA-N 431.537 2.090 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)F)C1 1503406080 COGASHCRXHBGLJ-MRXNPFEDSA-N 438.504 2.190 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1504814630 AITUKADEYUEOSS-HXUWFJFHSA-N 449.563 2.255 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1507613011 WSAUYRZQXJZOHG-UHFFFAOYSA-N 447.543 2.364 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507750957 IUJGJHMOSAZCSP-RTBURBONSA-N 431.606 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC2(CCCC2)C1 1508145244 YNSONOSURWGGTG-UHFFFAOYSA-N 431.562 2.014 30 10 IEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508160820 XBUCWXQXNLIZHY-UHFFFAOYSA-N 446.621 2.126 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1512543609 AGZNSJMABDZUCI-SFHVURJKSA-N 440.548 2.065 30 10 IEEE CCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1514839386 NCWZMMXHKNZZQY-VGOFRKELSA-N 440.552 2.105 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)C1 1517504278 AIBXDIGKYIMWAP-SFHVURJKSA-N 447.547 2.174 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(n1)CCCC2 1519329680 PTJKNRGXTMBLTP-VQIMIIECSA-N 426.521 2.053 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cncc(N3CCCC3)n2)cc1 1534147398 YFNGTZSTCHBNRQ-HKOYGPOVSA-N 428.518 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)c1ccccc1 1539332600 WTOGSHCHQZHZRO-UHFFFAOYSA-N 433.537 2.201 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(c2ccccc2F)C1 1539409098 OCCCOGVZYIHHFO-SFHVURJKSA-N 437.523 2.430 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1539441449 PHJYINQAHNGACU-OAQYLSRUSA-N 447.587 2.073 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1539642188 IAXVRLSEXMTAFH-UGKGYDQZSA-N 441.580 2.226 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1539643440 WBOQZMVEKLCRTN-VGSWGCGISA-N 441.532 2.173 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539780379 OVPVDWQUXSNYRH-INIZCTEOSA-N 430.896 2.179 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539823389 BMKLLJGAACWEGC-JYJNAYRXSA-N 427.933 2.470 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](C)C2)CC1 1539890248 LBOZBBBBGSSKRT-UHOSZYNNSA-N 437.610 2.450 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C 1540134090 NTLQWSLFPNMJJZ-UHFFFAOYSA-N 437.479 2.345 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540912016 JUWJGXDBERHYAS-LJQANCHMSA-N 426.546 2.077 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1555240502 GYJOJDDNLMOUNB-MRXNPFEDSA-N 426.521 2.103 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1557386199 QOGLTBPHSNKBDK-GCJKJVERSA-N 428.489 2.206 30 10 IEEE N#Cc1cncc(CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)c1 1558451228 ICHXXECEAYKNHN-UHFFFAOYSA-N 426.274 2.103 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccccc3OC)s2)c1 1569435203 BDISPBYCEYRNKY-UHFFFAOYSA-N 428.495 2.378 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)[C@H](C)O)c1 1586137850 HBJBGIPXXDQVKR-IFXJQAMLSA-N 438.933 2.193 30 10 IEEE Cc1c(C(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)cnn1CCC#N 1587163474 MWTROWFPTRWFCL-UHFFFAOYSA-N 445.321 2.398 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1587567850 KYHHISDCXWUJBQ-HXOBKFHXSA-N 426.517 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1conc1COC 1587621269 QISZTRDHTHICMC-HNNXBMFYSA-N 447.499 2.316 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1588054783 PSJJAYBXGKDZIM-UXHICEINSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1CCCO 1588094221 VDRBPNCFLUJFDR-OAQYLSRUSA-N 443.555 2.255 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1588301756 ALQSVQHLHGKAHE-UHFFFAOYSA-N 430.560 2.407 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(CC)s1 1588387231 SETQOINSFNYOAH-UHFFFAOYSA-N 437.577 2.374 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1594533692 FFANWUZQYCURLG-RTBURBONSA-N 445.589 2.400 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594727529 REROQXMOUBOXDC-GOSISDBHSA-N 445.593 2.042 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1594752213 BPWAPLHPYSFNCS-UHFFFAOYSA-N 438.532 2.035 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1595244111 RTGAAPAWZUKTEJ-KRWDZBQOSA-N 428.537 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1595707320 VMVCQOCMWDEXEC-WOJBJXKFSA-N 425.581 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cccc(O)c2)CC1 1595760157 KYLJSLKPUIIOQR-KRWDZBQOSA-N 433.578 2.425 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)Cc1ccc(Br)cc1C#N 1606621986 SKACVOXHBJIUPW-UHFFFAOYSA-N 441.322 2.354 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1611253373 UXFOXIRQHIEEDO-SFHVURJKSA-N 445.568 2.156 30 10 IEEE CCN(CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1615656283 FGQVBLYUEFQCSE-GOSISDBHSA-N 441.536 2.250 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)c(OC)c1 1619208134 CFYIOPKGMWKONG-SFHVURJKSA-N 440.548 2.301 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1619909628 FBVDQYXMPQRIQG-IRXDYDNUSA-N 441.536 2.495 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1624033903 ZVPPWUHSYHTAMQ-KKUMJFAQSA-N 431.455 2.162 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc3nc(CO)[nH]c23)cc1 1626003758 GTHCUYKSBSOFGM-MOHJPFBDSA-N 427.486 2.120 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@@H]([C@@H]2CCCO2)C1 1626557024 JKRVNUXOAATUQN-QRQLOZEOSA-N 430.505 2.030 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)Nc2ncccc2OCCCC#N)C1=O 1627663659 MTWVJYPDGXZNTQ-INIZCTEOSA-N 445.520 2.466 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2cc(F)ccc2F)s1 1627679741 FYIKPWNPIVTUEZ-KRWDZBQOSA-N 444.481 2.064 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)CC1 1630809599 VNYHLKKSPQNZAH-NRFANRHFSA-N 432.590 2.493 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1639817235 PJDYEZJNQQIGQM-LAUBAEHRSA-N 440.481 2.217 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1643808990 ZWIQPVAQFPADNW-QFIPXVFZSA-N 432.496 2.372 30 10 IEEE C[C@H]1C(=O)Nc2ccccc2CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1659383826 JHIICQOIMIEYMJ-JTSKRJEESA-N 435.503 2.377 30 10 IEEE C=CCOC[C@H](NCc1cc2cccnc2n1S(=O)(=O)c1ccccc1)C(=O)OC 1664471272 YNAFQICYYVJVES-IBGZPJMESA-N 429.498 2.107 30 10 IEEE C#CCN(C(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1)C1CCN(C)CC1 1668249379 ZJVDRUGPOZGOHO-UHFFFAOYSA-N 442.604 2.415 30 10 IEEE C#CCN(C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)[C@@H]1CCCc2ccccc21 1670384878 FXIMQUAHAIMDMP-HXUWFJFHSA-N 427.526 2.438 30 10 IEEE C=CCn1cc2ccc(NC(=O)NCC(=O)NCC(=O)N(C)Cc3ccccc3)cc2n1 1675017990 PPZKNHPNUIVTRI-UHFFFAOYSA-N 434.500 2.119 30 10 IEEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1683927885 QPQQSIGXHMHIIU-UHFFFAOYSA-N 435.468 2.314 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)c1C#N 1684615783 DHCFHPBQTOLBRF-WIYYLYMNSA-N 435.576 2.200 30 10 IEEE CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(C)C)cc1 1686693860 DPDQEFZHNYBFCJ-ONTIZHBOSA-N 432.590 2.068 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689950917 GHTLCZZBUNOVED-INIZCTEOSA-N 438.410 2.186 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689986434 PYEOHHROSQITST-INIZCTEOSA-N 445.495 2.421 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1690101428 ZYBCVEAOAHZVLJ-DLBZAZTESA-N 436.516 2.353 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(=O)OC)c2)CC1 1690129513 ZMQKHKQBKXAWOC-UHFFFAOYSA-N 445.527 2.246 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1690184671 MUSSXWJOMVORFT-UHFFFAOYSA-N 433.509 2.251 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690503119 QPTUMTIIHXSWNS-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc2c1OCCCO2 1690609323 KSBWKFOBOVQQSO-UHFFFAOYSA-N 441.532 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCC(=O)NC 1690660517 JACNYTCVLYNGJA-UHFFFAOYSA-N 449.559 2.227 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1696597581 HVZOCVZPUSYSNX-GCJKJVERSA-N 431.560 2.467 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1705516431 BFKUQNVDQIDMSU-KRWDZBQOSA-N 443.529 2.455 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN(CC)CCC(F)(F)F)CC1 1705640758 DWVNITXPZRVVKO-UHFFFAOYSA-N 449.525 2.293 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705673268 VBXAUEUZASAJBY-YOSAUDMPSA-N 442.608 2.455 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705695473 XJRVSHAFAWRHDH-BVZALQNUSA-N 444.580 2.037 30 10 IEEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1705797235 RZSPDBWXDFFELM-IBGZPJMESA-N 436.560 2.128 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1705875609 AERHXHDUCMPKOX-QGZVFWFLSA-N 448.568 2.243 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCOCC2)n1 1705885991 JNAFBIYOOGWRJM-LJQANCHMSA-N 428.537 2.048 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)=C(C)C1 1705902607 IDNLPPNOZBHZQV-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705949107 OKFACBRJEWQDIY-MRXNPFEDSA-N 445.545 2.426 30 10 IEEE CC(C)[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1706345908 QUHCPCWSJMXXAF-WEACTYFJSA-N 436.516 2.333 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1711267202 HTKXBNRHZKYHIL-HNNXBMFYSA-N 447.421 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1722294636 QESKVWSJMCQXDT-HKARXFIJSA-N 444.580 2.329 30 10 IEEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1722311815 KTANVTYZRDBDIJ-UHFFFAOYSA-N 438.557 2.378 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1722362827 OXZAGRMSUWQLIP-ZWKOTPCHSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCCC1(C)C 1722374942 HXEWWXCSDKGYJU-LJQANCHMSA-N 426.542 2.237 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ncn(C)n1 1722408064 YHZCKXSQWHKXTC-UHFFFAOYSA-N 430.310 2.353 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCSCC2)cc1 1722425111 NAYURKGYPFYDHY-UHFFFAOYSA-N 449.584 2.423 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1722449274 PAKDAQFDRHXZTD-UUOWRZLLSA-N 438.576 2.027 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)NC)CC1 1722465259 HUEWWQOBKMPIKC-UHFFFAOYSA-N 442.589 2.247 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1722469030 SBAXPRUQIZYXCO-AGILITTLSA-N 445.608 2.279 30 10 IEEE C=C(C)Cn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OCC)CCOC1 1722525984 NESKMYLAZNYNHZ-QHCPKHFHSA-N 443.596 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C)c2ccccc2C1 1722737259 YJTHMMYVZIZUFC-LJQANCHMSA-N 431.562 2.187 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740544193 ACHGMFUWCXFWRM-IAGOWNOFSA-N 438.557 2.233 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1740577846 QWMOOMGODLZZRX-UHFFFAOYSA-N 437.527 2.199 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740589033 NFLGGOPZDYUHGQ-IBGZPJMESA-N 426.565 2.262 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1740664393 ORNXJFFNAHUQQL-QGZVFWFLSA-N 431.562 2.082 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC)CC1 1740691970 PKNMEGBIPQHOKU-UHFFFAOYSA-N 427.512 2.414 30 10 IEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)OC)CC1 1740696623 ZCQOOVXPSKNXES-GOSISDBHSA-N 446.596 2.183 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740716513 ZBEQMCHOVAUHEW-UHFFFAOYSA-N 445.490 2.067 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1coc2ccccc12 1741917689 HYPUBRYTRSQXIH-CQSZACIVSA-N 428.518 2.423 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1744258318 WYHHHOBQLLVASB-XZOQPEGZSA-N 438.532 2.212 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C[S@@](C)=O)cc1 1744644624 CMGFFFPBBLBPHA-WJOKGBTCSA-N 436.541 2.302 30 10 IEEE CCOCCCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1747335620 UQSUIUXWBIVELS-UHFFFAOYSA-N 426.521 2.428 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)cc1 1748962165 BITOPGNPHQCIIJ-OAQYLSRUSA-N 439.560 2.143 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1748962210 CGIASXHOIVAVRV-HNNXBMFYSA-N 428.924 2.456 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OC)c2)CC1 1749016312 AANBYZKXVLPFEN-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1749445259 KTTUUDLUSDNLNY-ZDUSSCGKSA-N 437.488 2.180 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749454070 AHLFGHMVXDHTJL-GOSISDBHSA-N 427.553 2.017 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1749465628 GUUKLUGIBNLEHX-HSZRJFAPSA-N 442.564 2.221 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCO2 1749589898 LITQBGAIJXHLGH-UHFFFAOYSA-N 436.472 2.341 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1749625917 DCQKZYLSZANMQD-KRWDZBQOSA-N 428.924 2.421 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1749708846 MEKPKEUWLGKKHO-HXUWFJFHSA-N 425.533 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1749717934 RGVQKYXWRIVBTH-KKLQWCBXSA-N 428.533 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](OCC(C)C)C1 1749731517 GEISWPNLCLDFCA-ZWKOTPCHSA-N 426.583 2.372 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749761491 AGAWQZCZEPAEAI-IBGZPJMESA-N 425.562 2.285 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1749777236 FCWSMLUROZMSBZ-OAQYLSRUSA-N 438.532 2.069 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1750089957 NGQLGRQVHQFIRW-ZIAGYGMSSA-N 441.504 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760125485 ZMPHBWHYSLLWAX-PMACEKPBSA-N 439.560 2.427 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760148001 KTLFFDLISPMWIU-QGZVFWFLSA-N 439.516 2.195 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1760286204 FGOHUAOUPZSIKB-UHFFFAOYSA-N 430.534 2.416 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1760347484 CXZUAPLJEURDPW-UHFFFAOYSA-N 428.512 2.451 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1760565730 DCWBUBPERVXXLJ-ROUUACIJSA-N 440.635 2.352 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1760853736 WPWMZYSREXGKRP-IBGZPJMESA-N 433.520 2.022 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C)O1 1765309912 OBQUSSNKLVJDID-UQNRQAKVSA-N 438.532 2.211 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1767558250 FYIOEIIRHVFBOR-UHFFFAOYSA-N 440.548 2.364 30 10 IEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncn(C)n2)ccc1OC(C)C 1768269344 DQCCYGTWTMOJRG-OAQYLSRUSA-N 440.483 2.360 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1768759438 JQHDULSKWSXNSW-HTAPYJJXSA-N 442.495 2.053 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccc(C)n2)C[C@H]1O 1769451390 DJFSSYMVAFLEHE-TZIWHRDSSA-N 446.511 2.123 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1769706764 CRQNIIYQYAWBIW-QHCPKHFHSA-N 438.532 2.071 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCSC(C)C 1770216047 YMTZPQLYOVMRHL-UHOSZYNNSA-N 434.610 2.320 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1771251991 DYZHQBCZSFHHRX-HSZRJFAPSA-N 441.532 2.254 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC1OCCO1)C(=O)ON1C(=O)c2ccccc2C1=O 1772788997 LJVYWVHZXFXBKT-HNNXBMFYSA-N 434.445 2.177 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccccc45)C3)CO2)nc1 1853303757 RPVCXUDWXJSZOD-OALUTQOASA-N 445.479 2.189 30 10 IEEE C=C[C@H]1CCCCN1[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 1854558076 DHGSKKCHHZMOQR-AZUAARDMSA-N 433.574 2.499 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 1869934115 ZDWVXDTYIOSILN-DLBZAZTESA-N 435.933 2.397 30 10 IEEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870109513 XDPQWOIFBBEVEF-HNNXBMFYSA-N 448.414 2.027 30 10 IEEE COc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870160483 ULVCJLVDXPDAHY-UHFFFAOYSA-N 431.500 2.081 30 10 IEEE C=CCN([C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(C)C)S(=O)(=O)C1CC1 1872272039 FCDVZCDNJDXGOH-OAQYLSRUSA-N 434.606 2.382 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060637962 QIZIJTWCCDWQRJ-UHFFFAOYSA-N 433.358 2.381 30 10 IEEE COCC[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCO1 2172782185 NVBFELOJRIZLNS-AWEZNQCLSA-N 427.148 2.385 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2214618902 KQQMIRCQCUYRNN-QZWWFDLISA-N 439.553 2.142 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)C1 2247565383 SFWGUPKKUNIEBK-YZEMWESSSA-N 437.537 2.092 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 2255190413 TXUWIPYTGMTKKE-LEHQLXPHSA-N 449.548 2.044 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2255523008 BBNNCLPAAXZPPA-AWEZNQCLSA-N 436.289 2.406 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)c1B1OC(C)(C)C(C)(C)O1 2255632084 IFBFLSLFDBBTKL-INIZCTEOSA-N 427.354 2.441 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255696147 PSIYJFKANXMQTN-HOCLYGCPSA-N 431.342 2.366 30 10 IEEE Cc1c(C(=O)NCCCCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823750 XJLXXSLKOFNPPD-UHFFFAOYSA-N 436.362 2.062 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267003462 PKRKLWDPMLPPDY-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267096367 JGQVGNUREHINBJ-FPTDNZKUSA-N 446.357 2.086 30 10 IEEE CN1CCC(N(Cc2ccccc2)C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2267124923 AYCAUZRNVZWWTL-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267146288 JWQHTZYGKFVXSX-CABCVRRESA-N 448.373 2.378 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267497195 KBPPFXDWHPTNJT-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267519232 GGNXSCJAZVOSTG-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE Cc1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)oc1B1OC(C)(C)C(C)(C)O1 2267525523 FSHVUSXXFWCZCR-DEOSSOPVSA-N 440.349 2.254 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267550515 ANQYSYYKIVECAO-CHWSQXEVSA-N 444.259 2.498 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267570196 UKWSPKRYQHLVGO-JOCHJYFZSA-N 449.357 2.070 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCC1 2267574546 XKGZWYAIRXTOLD-UHFFFAOYSA-N 446.357 2.201 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)c1 2268643456 KMMORHZPJCCTCH-UHFFFAOYSA-N 446.353 2.462 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268705746 GYKFWWLHDBFMOR-SFHVURJKSA-N 446.353 2.104 30 10 IEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1C 2296927103 RKNKUMHUEZQFGF-IBGZPJMESA-N 440.500 2.187 30 10 IEEE CC[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2315536053 BJKXZDCYCOMYMG-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1cc(C)nc(N/C(=N\C(=S)NC[C@@H]2CCCO2)NCCc2ccc(O)cc2)n1 14158950 HJMWFTIBWHYUGO-SFHVURJKSA-N 428.562 2.453 30 10 IEEE CCOC(=O)C1=C(C)N/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)C1=O 33414481 UWZUDVHDMVROKW-WOJGMQOQSA-N 437.452 2.193 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2sccc2C)[C@H](C#N)C(=O)N3)CC1 101442565 VLZHNXGRACATEU-KBPBESRZSA-N 441.513 2.143 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)CC1 105264216 DWPLVWQUDIYRML-UHFFFAOYSA-N 431.540 2.405 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@]2(CCO[C@H](C)C2)O1 430281206 YZRAKQCSFPUMIA-OMXLDXBASA-N 444.551 2.193 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2CCCc3c2cccc3S(N)(=O)=O)c(OC)c1 440382028 RQQRMCCUIPVZNB-KRWDZBQOSA-N 432.542 2.264 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)c1 441926370 ZSAAWORYEUSJMW-UHFFFAOYSA-N 434.468 2.001 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 460386883 MAJLWJRDRNVYAY-WZONZLPQSA-N 436.516 2.345 30 10 IEEE CCN1CCN(Cc2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)CC1 481049144 NFUFHDLDOWGKRJ-UHFFFAOYSA-N 430.549 2.454 30 10 IEEE C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(S(=O)(=O)N(C)C)cc1 481059245 NIRRGWYMXVLGTJ-CYBMUJFWSA-N 425.507 2.128 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 482223631 OLTWZSFHUYDKHX-WMZOPIPTSA-N 442.541 2.019 30 10 IEEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)c1 484456934 OVQQVMCKBBPNHW-INIZCTEOSA-N 431.395 2.405 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CC1 506033006 PRAWIRLVMBHFBH-UHFFFAOYSA-N 446.555 2.409 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 518035121 URKGCMWZFSTWND-UHFFFAOYSA-N 442.516 2.444 30 10 IEEE Cc1nc(SCC(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)c(C#N)c(C)c1C 524771812 YZCSDXXTTJHECV-UHFFFAOYSA-N 425.562 2.175 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC(C)C)CN(C)C)nnc12 531007891 AVFARKJUWKLDSQ-INIZCTEOSA-N 442.589 2.415 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CC1 533665384 OKEHMDMFPMUOSD-UHFFFAOYSA-N 435.528 2.068 30 10 IEEE CN1C(=O)C[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 535120946 MFBLMGSSXNBXLF-FXAWDEMLSA-N 428.851 2.169 30 10 IEEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 536393466 ZKTNBQJLNXDPGG-UHFFFAOYSA-N 440.525 2.426 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)c1 542243366 QSAYUFSXNAQURN-MRXNPFEDSA-N 435.303 2.190 30 10 IEEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 555285734 MUYXXSMTHSJQTQ-SFHVURJKSA-N 449.577 2.362 30 10 IEEE N#Cc1cc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)ccc1Cl 557849408 POPKNVNZRUONBY-GJZGRUSLSA-N 431.901 2.409 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=C)C)CC1 575753853 XOGCZJYITLIZJR-UHFFFAOYSA-N 438.576 2.474 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(C2)Oc2ccccc2O3)CC1 580120589 DVWLVAYQBCPWFL-FQEVSTJZSA-N 436.487 2.408 30 10 IEEE Cc1nsc(N2CCN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CC2)c1C#N 581519810 QRQJZPKGBWIOIN-UHFFFAOYSA-N 429.571 2.342 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 584484902 DAVMEXXHRNTCLL-UHFFFAOYSA-N 428.920 2.427 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2C)nn1 608968163 NUQYKWTWJHVNFH-UHFFFAOYSA-N 432.488 2.035 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 609788930 OWAGQNVMTRDNRW-QGZVFWFLSA-N 427.526 2.436 30 10 IEEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(-c2ccccc2C#N)c1=O 726179699 SZKWMVQIHNITDC-UHFFFAOYSA-N 445.548 2.239 30 10 IEEE Cc1nccn1-c1ncccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733776074 GQEZXWGIOLKHJL-GOSISDBHSA-N 429.440 2.291 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccc(C)c(C)c1 735068424 ARFILTXHUMBXPS-UHFFFAOYSA-N 449.580 2.152 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 746193228 FTQXNFBYPXVOEF-RLBWVDARSA-N 439.447 2.498 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 757305493 PUQLDHZDKVZAJP-GWCFXTLKSA-N 449.476 2.330 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CCCCC1 760403036 ZTEDDOQIYDMYGS-LJQANCHMSA-N 431.558 2.388 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 763595925 RHPGTGGKUWLOSM-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771535936 AETYUZRMPXCNDP-OAHLLOKOSA-N 447.952 2.015 30 10 IEEE C=CCOCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 780045952 GPSYZIVQEDTRKF-QZTJIDSGSA-N 438.569 2.126 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1 782418706 WFYPEOIOWXBNQS-CQSZACIVSA-N 435.502 2.294 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 788906955 QZBDBKRNSIGNMG-LSDHHAIUSA-N 430.357 2.404 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccsc1 790748078 UYMUBGQSBHYKNP-OAHLLOKOSA-N 441.542 2.475 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cc(Cl)ccc2OC)N(CCCn2ccnn2)C1=O 792771440 HTOUCAVTUGPYMN-OAHLLOKOSA-N 436.925 2.098 30 10 IEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 800787228 UUGWVPCDIXXQIH-CRAIPNDOSA-N 429.956 2.168 30 10 IEEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cnccn3)csc2=Nc2ccccc2C#N)C1 803182441 VYNRIFAEIBLOQF-OAHLLOKOSA-N 440.554 2.392 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)ON=C1CCOc2ccccc21 915214557 DNMNMKZIPPAJQB-CQSZACIVSA-N 447.513 2.476 30 10 IEEE COc1cc(/C=C/C(=O)c2cccc(S(=O)(=O)NCCC(=O)O)c2)cc2c1OCCO2 916154554 KUEUDLKODONARN-AATRIKPKSA-N 447.465 2.116 30 10 IEEE C[C@H](CN1CCCC1=O)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700705 RSTOPYWXJRELQV-KDOFPFPSSA-N 439.541 2.169 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(C)C 925932884 QVFBKNHWDAHPPI-UTKZUKDTSA-N 447.513 2.125 30 10 IEEE CCCN(C)C(=O)[C@@H]1CSCN1C(=O)COc1cccc(Br)c1C#N 1125917170 CFDIHTHUEZZYIP-AWEZNQCLSA-N 426.336 2.469 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(F)(F)c1ncccc1Br 1127138316 JCSNAQRMBWLWKO-LLVKDONJSA-N 437.248 2.335 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CCO2)cc1 1134283541 SZAXZIPTXUPDLV-FCHUYYIVSA-N 435.480 2.496 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1135345837 IAPCFOQDGZAXDQ-UHFFFAOYSA-N 437.319 2.104 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1136671696 PEYYYADPGTVSIS-MXLIYFDZSA-N 434.537 2.493 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)s1 1141361807 AQHHOPFXPVLHME-IRXDYDNUSA-N 431.583 2.350 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)c1 1181745286 CFHDCVBAFGNDBP-UGKGYDQZSA-N 426.494 2.011 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1286281725 IJEIRLRQZUBEGC-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286354354 LPQGUNOTUMDTRO-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1286359449 WKCRIBMSZRSLLK-UHFFFAOYSA-N 429.546 2.041 30 10 IEEE C#CCCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286360289 RYARQYGIFZKTHA-CALCHBBNSA-N 442.564 2.273 30 10 IEEE C#CCCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286360568 UTMPXKJBVSYJQL-QHCPKHFHSA-N 431.581 2.427 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1286389480 KWKATEYUWIDSBD-GOSISDBHSA-N 444.557 2.238 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(SCC)c2)CC1 1286480383 MYAUGUIRIILZQJ-LJQANCHMSA-N 426.590 2.483 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCOCc2ccc(OC)cc2)CC1 1286485747 XEBMRNHFCUSZFV-OAQYLSRUSA-N 425.533 2.110 30 10 IEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286542567 BPTJYMZXRDNJLT-UHFFFAOYSA-N 439.402 2.130 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286711034 HLZHVDFIWAQRGO-GOSISDBHSA-N 432.569 2.226 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OC)C1 1286793910 PPQFNIGVDULSOQ-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCC2)C1 1286812217 KOMJWDSGRQKHST-MRXNPFEDSA-N 431.562 2.356 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(CN2CCOCC2)CCCCC1 1286958803 BQBDOLMOKHFXIX-IBGZPJMESA-N 445.612 2.295 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)c1 1289319686 BYGDNLNLPLOBKY-GOSISDBHSA-N 446.577 2.105 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3nc4ncc(CCO)cn4n3)c2)c1 1290504852 NGJHXHXNYCUPRD-UHFFFAOYSA-N 441.447 2.098 30 10 IEEE CCc1nc(CCn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)no1 1292710654 FNOCDMPCECOXHT-UHFFFAOYSA-N 435.536 2.258 30 10 IEEE CN(Cc1ccccn1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298372638 DVJGBLBIQYZDAB-LDSGZGKSSA-N 437.504 2.078 30 10 IEEE Cc1ccc(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)cc1B1OC(C)(C)C(C)(C)O1 1299216166 KORWFWXJKYBTIC-LJQANCHMSA-N 445.365 2.440 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N(C)C 1300510028 CUAAVZJPHGCPJA-SFHVURJKSA-N 446.559 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1cccnc1N1CCOCC1 1300538603 VLRYJGZWDUNJGT-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOCc2ccc(OC)cc2)CC1 1300696130 UIPUXBFXGJKHJG-UHFFFAOYSA-N 449.559 2.049 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[C@](C)(O)c2ccccc2)CC1 1300703648 NQGVRZCORICENB-VWLOTQADSA-N 430.556 2.317 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CC1(C(N)=O)CCOCC1 1300813878 TXCZYLPLIREYKQ-HSZRJFAPSA-N 437.544 2.174 30 10 IEEE CC(C)NC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1303443850 FPIABEUNDBYFSL-CQSZACIVSA-N 431.928 2.124 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C1 1303949093 ADFPEKHUDUMFTC-UWJYYQICSA-N 426.546 2.326 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCNC(=O)[C@@H]1c1ccccc1Br 1307653369 FQYVMBGEQOLBLN-BEFAXECRSA-N 430.302 2.234 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1 1310008383 IIUWIHGBMFFGPC-UHFFFAOYSA-N 429.498 2.470 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1315164689 GPJRBRMWWWACSM-FDDCHVKYSA-N 440.548 2.065 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cccc2cccnc12 1339173212 JOJUMQMLGNNPEY-UHFFFAOYSA-N 434.481 2.204 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1c(F)cccc1I 1357282336 GYPDLRYVLWRGAD-UHFFFAOYSA-N 441.204 2.114 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCSC1 1359017532 IMNKZXUGRLBADN-JOCHJYFZSA-N 443.548 2.047 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1359137352 NBPGMRJKNHDYGZ-OALUTQOASA-N 447.580 2.044 30 10 IEEE C[C@@]1(C#N)CN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CCO1 1439710178 PVGYJOJRPSWQHY-OAQYLSRUSA-N 440.481 2.296 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 1443047519 FSJUZAZAMVWLKJ-HFMPRLQTSA-N 442.560 2.495 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1OC 1449169046 FDDOWOBXPGAMGK-UHFFFAOYSA-N 445.438 2.458 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1472241195 JDQAPJQWJYAENA-KURKYZTESA-N 439.516 2.413 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OCC 1475305604 NDAZRQBPIZFJJY-CQSZACIVSA-N 432.926 2.227 30 10 IEEE C=CCCSCCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1478936407 XWJFPWYDYJUALL-MRXNPFEDSA-N 428.599 2.358 30 10 IEEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1493777698 GFIANZHQQXSZKP-QGZVFWFLSA-N 446.577 2.294 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C)(C#N)CC1 1498517573 BVGTWXTWIAHPMQ-MRXNPFEDSA-N 445.568 2.485 30 10 IEEE CCCN1CC[C@H](Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1500961977 SBXGCTJHNMXCOC-YUXAGFNASA-N 434.560 2.493 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1504409632 DUNVECZQEGHOBB-AZUAARDMSA-N 441.532 2.049 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507552958 BCVQHBQQPRWTDY-UHFFFAOYSA-N 437.548 2.424 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)ccc1N1CCOCC1 1507623350 VTWCGLKDJRWYQN-UWJYYQICSA-N 443.523 2.096 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1507692480 ZBDOTTJDOVFPRB-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1507774323 BDNBKJJBXCCSMD-HNNXBMFYSA-N 425.375 2.390 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507784123 IBQGJUIBWXZCHR-ZDUSSCGKSA-N 428.356 2.206 30 10 IEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 1507850872 CKAJIVLAOZWDON-IBGZPJMESA-N 444.557 2.283 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1507968608 VZDBRVYRUQOMOP-MOPGFXCFSA-N 448.593 2.119 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1507978502 NVLGDKPJLNYACG-XDOYNYLZSA-N 444.499 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1 1508142861 BSEZZHIPPYVGMB-MRXNPFEDSA-N 425.505 2.346 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CC=CCC1 1509958315 YYWPNMGRUVFYCB-LJQANCHMSA-N 435.580 2.452 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(C#N)ccc2F)c1 1519087547 IDDLWLHICIYBPV-UHFFFAOYSA-N 432.477 2.037 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1530734523 HWGXDOHQCGPQAP-ZDUSSCGKSA-N 431.352 2.294 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 1531582023 XSZALHGRJOQNJN-UHFFFAOYSA-N 428.529 2.498 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(F)F)c1 1539239978 UMJXHWSNEKIJOA-OAHLLOKOSA-N 435.500 2.121 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1N1CCOCC1 1539257046 DJCCMFLEIQVBJV-UHFFFAOYSA-N 427.512 2.001 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1cccnc1N1CCOCC1 1539285569 KXHLTVPTLSMGLH-UHFFFAOYSA-N 432.553 2.283 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCCN1CCC(O)CC1 1539338003 TZQQBAFXDFXHMO-UHFFFAOYSA-N 439.535 2.306 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1539343633 NYIAXFDOJLRURY-ZWKOTPCHSA-N 448.593 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC1 1539436369 PVTNIKNISUTSOL-FQEVSTJZSA-N 436.343 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539630158 ZBRXKVDUZTUATJ-LMMKCTJWSA-N 433.578 2.278 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539821125 WBFRGQIQKCUOHF-MOPGFXCFSA-N 444.985 2.086 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1540048366 UTXOWTUUZTYBKI-CVEARBPZSA-N 436.557 2.176 30 10 IEEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1540155037 JKRSGYLSFOHRJI-GHTZIAJQSA-N 438.594 2.322 30 10 IEEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3nc4c(cc3C#N)C[C@@H](C)CC4)ccc21 1540205506 FSIMAGWEMRIWSU-AWEZNQCLSA-N 431.496 2.356 30 10 IEEE C=CCn1c(N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1540860784 LMMRVRIOBFJUES-YYDVJCTNSA-N 433.597 2.442 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](COC)OC)C1 1540883789 FFAGSCSAGIRSJN-LSDHHAIUSA-N 440.342 2.478 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)on1 1543437498 FUAMJYYHUQFWBH-GJZGRUSLSA-N 428.518 2.419 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CCCO1 1544747307 HFTKGUOTZLCNHF-INIZCTEOSA-N 429.546 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC2(CC1)COC(=O)N2 1546084856 YMGJZQHNBUPJIF-GOSISDBHSA-N 440.500 2.494 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1546528809 CVODXKPNYMJLSC-QHCPKHFHSA-N 435.507 2.481 30 10 IEEE CC[C@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1546678555 SAYQDKKSYLBHOK-UNEBPCJRSA-N 438.536 2.045 30 10 IEEE CCCc1nc(C)c(Cn2c(CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)o1 1546939584 FBXOZJHYYLBQTR-UHFFFAOYSA-N 437.552 2.378 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)c2cncc(C)c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367920 WQJZOBPIWNHTLM-SFHVURJKSA-N 431.418 2.358 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1555375121 GQINYLYJPUCVGP-SFHVURJKSA-N 426.521 2.116 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC(C#N)CC2)CC1=O 1555573543 CAHWIFRQSQVFAL-KRWDZBQOSA-N 426.496 2.319 30 10 IEEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 1556642927 AWPXHDIHHSOELP-MGPUTAFESA-N 439.871 2.260 30 10 IEEE CCOc1ccc(C(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1OCC 1557384570 ROJRRZIRLRQVKP-LJQANCHMSA-N 425.485 2.277 30 10 IEEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1557602441 GFVHUGOKOFVISY-UHFFFAOYSA-N 444.475 2.093 30 10 IEEE C=CCC1(CNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 1561562612 FEDRNIKNZVWELR-UHFFFAOYSA-N 442.603 2.431 30 10 IEEE CN1CCN(c2ccc(Br)cc2NC(=O)Nc2ccn(CCC#N)n2)CC1=O 1563052614 GPFYHXRYMFSDAQ-UHFFFAOYSA-N 446.309 2.482 30 10 IEEE CC(C)(Cc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585137955 CZWLOLCFTDFXJH-KSSFIOAISA-N 425.348 2.415 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@H](C)CC 1587579567 IEFWBROILYEMOL-CVEARBPZSA-N 431.562 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN(C)C 1587614236 GPWUFMKGABVHPR-INIZCTEOSA-N 431.610 2.284 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1587765606 IRHPLTHKLYNFLW-ZWKOTPCHSA-N 437.610 2.287 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1587766725 YAKBGDMXNHUAKF-LJQANCHMSA-N 449.552 2.190 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCNC(C)=O 1588581108 GVLNUTVJTLNYMX-UHFFFAOYSA-N 434.338 2.320 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1594732608 GGOZUYLCUREDMM-GOSISDBHSA-N 438.580 2.475 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1594963585 VDECCXNXSOWHQN-GOSISDBHSA-N 447.630 2.404 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CC2)C1 1595688850 PTTLTTUDUNRFGV-INIZCTEOSA-N 430.505 2.277 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1596626411 AUJJBTGRPXXDLS-HNNXBMFYSA-N 425.391 2.174 30 10 IEEE C=CC[C@H](CO)CNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1598058723 YIOGXNRDWOMTLF-JZXOWHBKSA-N 444.391 2.343 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1[C@@H]1C[C@H]1CF 1613586351 WJBCBYSGSDITSM-FUHWJXTLSA-N 440.527 2.320 30 10 IEEE N#C[C@]12CN(C(=O)CCCOc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1618171509 AEDXUXOSGXCRAU-SUMWQHHRSA-N 427.320 2.005 30 10 IEEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(Cl)c1Cl 1627242227 CYMDJWGHKNQXTH-LSDHHAIUSA-N 437.258 2.487 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1 1629911166 SKPOGSSFUGZKDK-UHFFFAOYSA-N 425.445 2.037 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 1632624760 YWZHMPDKQNCCQM-UHFFFAOYSA-N 430.705 2.139 30 10 IEEE CC1=NNC(=O)[C@H]1CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1632758881 XIUJFHPMZRXABY-WMZOPIPTSA-N 425.489 2.021 30 10 IEEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1640280904 FSYXOFGLCJGHSB-UHFFFAOYSA-N 435.452 2.476 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1641662791 WMIPRCPMSHBQLS-IBGZPJMESA-N 428.533 2.231 30 10 IEEE N#Cc1cccc(C2(NCC(=O)Nc3cc(-n4cnnn4)ccc3Cl)CCOCC2)c1 1643868652 JWNRPXZOYGDTBP-UHFFFAOYSA-N 437.891 2.421 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2ccc(OC)cc2)s1 1644248626 LDPKTOIVEFQKBJ-GOSISDBHSA-N 436.555 2.364 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)C3CCCCC3)C2)nc1 1652331757 GUGVFEITUFDZIB-FPOVZHCZSA-N 449.559 2.387 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C[C@@H]1C(=O)OC 1653676032 NFHCOQSBQWGYNY-HDICACEKSA-N 438.484 2.115 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br)[C@@H]1CCCO1 1655041565 WLERTEPFXCFIHD-KGLIPLIRSA-N 430.320 2.393 30 10 IEEE C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)S1 1667526227 DYJVGQHZVMDASY-LLVKDONJSA-N 429.365 2.118 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1671583076 XQIKDMMSCVMXTG-NHCUHLMSSA-N 439.560 2.338 30 10 IEEE Cc1nc(CN2CCC(CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)CC2)oc1C 1677035664 DZDNNBVYCRPGQX-UHFFFAOYSA-N 437.548 2.302 30 10 IEEE C=CCn1cc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)nn1 1679526487 SXWAGOXWYSFZFH-FQEVSTJZSA-N 425.514 2.456 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCC#C[C@H]2CCCCO2)CC1 1682725757 PRZIJJWVBMPGFT-GHTZIAJQSA-N 447.601 2.487 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690018105 UMSLOWYWQYLBPM-OAQYLSRUSA-N 435.528 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690021523 YTSXYYNAKDBQRT-IBGZPJMESA-N 449.452 2.344 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690510820 GCFIMKYCLNMHEE-UYAOXDASSA-N 425.533 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1690724747 VYQHPGHVHQOUNH-GUDVDZBRSA-N 434.537 2.325 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690971745 ZYTFGFJJRMXNSJ-IBGZPJMESA-N 448.531 2.494 30 10 IEEE CC1(C)[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C[C@H]21 1692850486 ABWZQTZHAQEOEL-HZPDHXFCSA-N 430.459 2.202 30 10 IEEE CCOc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)ccc1OC 1696104661 AUECFAFFISWIOW-WBVHZDCISA-N 447.561 2.232 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCn1cncn1 1698176413 CCNKHQCCAPCWJK-RLLQIKCJSA-N 436.520 2.037 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705524617 PTAXYZRUKIAQRC-QAPCUYQASA-N 431.924 2.436 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705544337 MRCIWKHGFQPVOK-HXOBKFHXSA-N 442.516 2.378 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCC[C@@H](C)C2)CC1 1705641940 ZPCHZQPNHOHHBH-JOCHJYFZSA-N 436.604 2.387 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)C1 1705707358 JQAPSDNANMEWGK-KVPLUYHFSA-N 431.581 2.456 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@@H]1C 1705714136 GGSFCMNYGUMMCA-IERDGZPVSA-N 448.593 2.181 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCNS(C)(=O)=O)CC1 1705765902 GLFRXDHFOCKYEV-UHFFFAOYSA-N 449.577 2.448 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1705772337 NECFZKJWIMBJLG-UHFFFAOYSA-N 442.539 2.317 30 10 IEEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705824857 BVAGZPVOYVSKKH-WMZOPIPTSA-N 444.511 2.364 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OC(F)F)c2)C1 1705915422 ULIVMESZJGNCIY-MRXNPFEDSA-N 448.474 2.340 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1705932708 YQPUWMSNMGHIOA-QGZVFWFLSA-N 444.536 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(C)C)C1 1705934148 CIQPWASJHIGACD-MRXNPFEDSA-N 449.577 2.479 30 10 IEEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707875212 QYNZPHZUNTXQSM-QURGRASLSA-N 429.484 2.278 30 10 IEEE CCC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1709471203 CMCQQAKDZSDPIV-HRAATJIYSA-N 431.562 2.239 30 10 IEEE COC[C@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712181017 RWCMPZBMOKQJLM-QUCCMNQESA-N 442.539 2.233 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1712372029 GDCBJWBWWAUKET-UHFFFAOYSA-N 440.504 2.234 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722307274 SUZQKSLAQMABLN-INIZCTEOSA-N 429.525 2.304 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722334438 XKWPYZJVAZVRFF-UYAOXDASSA-N 449.621 2.416 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCC1 1722380394 LRKUMIQLVKWMPJ-UHFFFAOYSA-N 430.512 2.082 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(CC)C1CC1 1722390937 XQEAPZHVZRMERS-UHFFFAOYSA-N 439.585 2.296 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(OCCO)c(OC)c1 1722393976 NMPXFADROWMPAU-UHFFFAOYSA-N 431.496 2.231 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1722413921 SRQBYNHRLYCMMQ-LPHOPBHVSA-N 449.552 2.013 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722526344 VKFJHZGWKTZXQW-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1722588491 UJNJFJZJSDBZPZ-CYBMUJFWSA-N 439.504 2.212 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729095158 LHLCOONOERGJQW-RUNIHZNKSA-N 430.553 2.355 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCC=CO1 1729567059 RYQFOLBKOYIDIT-GJZGRUSLSA-N 433.310 2.468 30 10 IEEE CO[C@]1(Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1729955420 YJCUTVSCMATIHX-VXKWHMMOSA-N 433.553 2.254 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730494299 DJHYOCMHLFQLFN-FUHWJXTLSA-N 444.511 2.027 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 1740594029 YXSWICIPEOOQRV-UHFFFAOYSA-N 427.578 2.431 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1740649301 QVZSEFDMEDXNOZ-MRXNPFEDSA-N 449.964 2.084 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(Cc2cscn2)CC1 1740714891 NZCHTUHPTDAPAO-UHFFFAOYSA-N 425.587 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](C)C1 1740992124 BCOXOECIIXUXQD-GJZGRUSLSA-N 440.516 2.362 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1741975866 HYBUWHRKLRTCSJ-IWMITWMQSA-N 432.475 2.066 30 10 IEEE CCOc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)c1 1746862449 FGWUHVSZAJFHRI-SXLOBPIMSA-N 427.505 2.178 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1748122741 MCBMSDACXNUKBP-HNNXBMFYSA-N 433.472 2.060 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N1CCOCC1 1748842135 DKZLVDFAPRLOFB-IBGZPJMESA-N 430.512 2.394 30 10 IEEE CO[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1749217331 UEWMPVRABZVYAF-JETITXFFSA-N 442.564 2.398 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1749744404 JOIZUOZRTQESIH-RDJZCZTQSA-N 443.639 2.060 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749755758 LISLAPREBPNDMH-GOSISDBHSA-N 429.594 2.435 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1 1750989711 IFSKJJZXSLRHAX-JOCHJYFZSA-N 426.521 2.259 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1751690464 GNBKAZQFWRLZGA-FGZHOGPDSA-N 438.576 2.143 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760133190 XEGJOKNXENZEPR-YLJYHZDGSA-N 442.516 2.126 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1760242641 KIPFLAICAOBVIH-IAGOWNOFSA-N 425.533 2.435 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCC2)CC1 1760255696 NSTHYYFNSWFYJY-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)cc2C)CC1 1760261970 FNAGGNCMJIUVIZ-UHFFFAOYSA-N 429.572 2.442 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760355968 BRISDCZAPITIPQ-IBGZPJMESA-N 427.553 2.243 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cc3ccccc3[nH]2)nnc1[C@]1(OCC)CCOC1 1760528126 SOGGLTKHVOHOTR-QHCPKHFHSA-N 438.532 2.350 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760555854 PEZJRYWWKOUBEV-GOSISDBHSA-N 433.582 2.196 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC 1763439231 DYXCYRQLHPEPTA-OXJNMPFZSA-N 440.548 2.349 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1765656086 HJSOTKGQNOLTCL-KRWDZBQOSA-N 445.474 2.092 30 10 IEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCCNC(=O)c2cccc(O)c2)cn1 1767454280 YHZXNAUCUJATGD-UHFFFAOYSA-N 448.531 2.334 30 10 IEEE Cn1cnnc1[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1767502200 MHVSPMDWCZYDGX-GOSISDBHSA-N 438.561 2.402 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1768456006 CVEOYHFEUWLWDG-UHFFFAOYSA-N 434.422 2.253 30 10 IEEE Cc1nn2c(C)c(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cnc2c1C#N 1851390071 ROZNLWOPBKLKDT-UHFFFAOYSA-N 435.507 2.299 30 10 IEEE CN1CCC[C@@H](OC(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)C1 1851975974 HEJBUJYXDAPTBF-CTNGQTDRSA-N 427.526 2.085 30 10 IEEE COCCN1C[C@H](C(=O)Nc2nncc(-c3ccc(Br)cc3)c2C#N)CC1=O 1852542835 PNYORNIGXKXOPC-CYBMUJFWSA-N 444.289 2.211 30 10 IEEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCC#N)CC1 1852649274 FXQYFMQMZDAWAN-GOSISDBHSA-N 426.970 2.091 30 10 IEEE Cc1nn(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)c1C#N 1852834742 ONUWOSQJXXUBFH-HNNXBMFYSA-N 425.873 2.185 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N=C1NN(c2ccc(Cl)cn2)C[C@H]1C 1853236384 VIOVVTYSAWNPGZ-NEPJUHHUSA-N 439.900 2.127 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CC(=O)N1CCCCCC1 1854528282 GQOQQWWGDHOAQM-MRXNPFEDSA-N 430.936 2.482 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1854538159 VNCZDEXSWOQMHN-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1cnnn1-c1ccc(OC)cc1 1868814514 OUPHGVBFEWTTLK-SFHVURJKSA-N 429.546 2.328 30 10 IEEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN(CCO)CCO)cc1=O 1870416966 XGNHJPUHSJNQLA-UHFFFAOYSA-N 434.581 2.271 30 10 IEEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870876558 LLRMZGYLDUZWPR-UHFFFAOYSA-N 439.468 2.204 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc[nH]1 1874274776 PGIKXAQWCIRXOZ-YTRQYYDFSA-N 431.566 2.221 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(C)ccc1O 1874338413 VUDLKLJOUSRCOE-MNPVBQOISA-N 431.518 2.164 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874340804 UUOXHDUJKIRMNB-BBJIBYMTSA-N 432.506 2.267 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)c1 1874377620 FWFLQNNYXDFSLY-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE CCc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1 1874433646 QHYIPIQIKJPBGW-BHGWPJFGSA-N 440.529 2.360 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccc4)nn3C)CC2)CC1 1889547373 IJJZCTWOMDWLRW-UHFFFAOYSA-N 449.599 2.349 30 10 IEEE C[C@@H](C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1)N(c1ccccc1)S(C)(=O)=O 1892167396 QTCIHTCAWSKZBA-PKOBYXMFSA-N 442.541 2.425 30 10 IEEE C#CCOCC[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892238663 XMXUUHIWZCYXTH-ROTAYESASA-N 441.505 2.377 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2062947455 ZJDRWSYOGWTRCF-DZGCQCFKSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2067678962 NDFZJBDFOWEKKI-LFRCEIEQSA-N 436.358 2.467 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(OCC#N)c1 2164487101 JJUFCCJKVCZAGJ-FQEVSTJZSA-N 431.445 2.355 30 10 IEEE C[C@H](CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2232264767 ZNFQEABWZCWAPK-MWTRTKDXSA-N 447.385 2.223 30 10 IEEE Cc1nc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247904392 AKVSTDUGOFKHQG-STQMWFEESA-N 437.371 2.394 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)co2)OC1(C)C 2255544467 ZXMBSBNZCCXWCZ-LJQANCHMSA-N 426.322 2.210 30 10 IEEE C[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255656479 AZLNMTBXNPOAHO-PBHICJAKSA-N 431.342 2.366 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1(CO)CCC1 2255818251 INLFYEMIZZBKRV-UHFFFAOYSA-N 425.338 2.277 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C 2255831671 ZLYVCTDNWAVXFF-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255879462 PMNVQPSWSOUMIA-IBGZPJMESA-N 426.322 2.031 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2257490653 FSPNGGYHYQIEPZ-GOEBONIOSA-N 431.342 2.332 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2266994330 SVVMRUAFLXLWKZ-VQFNDLOPSA-N 443.353 2.318 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129479 BMXFCRJKXKCFFG-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2267497164 JSGJZNMETQDRPQ-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c2)OC1(C)C 2267597441 VMNMTTOXQGQARU-HOTGVXAUSA-N 438.255 2.364 30 10 IEEE Cc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2268634055 WDCGOSADBHXZCH-INIZCTEOSA-N 447.341 2.001 30 10 IEEE Cn1cc([C@H](O)[C@H](N)C#Cc2cccc(Br)c2)c(I)n1 2296228734 BRIQPIUZCWXHEX-OLZOCXBDSA-N 446.086 2.200 30 10 IEEE CCCn1c(N2CCN(CC)CC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314461153 ICIXEPDEFOZFJA-UHFFFAOYSA-N 445.614 2.411 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2315683703 IXSLJHRTPKSPQD-HNNXBMFYSA-N 446.334 2.232 30 10 IEEE COc1nc(N2CC[C@](C)(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501372 HZOHHDPEULYVMW-SFHVURJKSA-N 429.248 2.037 30 10 IEEE COCCn1cc(C#C[C@H](N)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318058260 ZSRQSIRYWHPWBP-VXKWHMMOSA-N 441.576 2.234 30 10 IEEE CN(C)CC1(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2320690109 VDVSPVNPKUTXGN-UHFFFAOYSA-N 433.358 2.311 30 10 IEEE CCCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329012571 IQSDYPRILYOLOX-MRXNPFEDSA-N 444.561 2.251 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)OC 2352140346 LGMJRQFIHQWSPD-IKGGRYGDSA-N 427.339 2.289 30 10 IEEE Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33812495 FOTCGEBNRNKXML-OQLLNIDSSA-N 446.554 2.232 30 10 IEEE CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc4c(c2)OCCCO4)[C@@H](C#N)C(=O)N3)CC1 72461133 PBZWAVFDQAVOCS-CRAIPNDOSA-N 435.484 2.391 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2/C(N)=N/O)cc1Br 155816409 PWUQLCUZHWFSDZ-SNVBAGLBSA-N 441.145 2.420 30 10 IEEE COC(=O)COc1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 445719818 BSCQMRZOGQSHNC-UHFFFAOYSA-N 445.497 2.174 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 497459179 HAIFFHAQNAYQGO-UHFFFAOYSA-N 429.590 2.035 30 10 IEEE C=CCOc1ccc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 505868411 HNCUGVMRBCTGSQ-OAQYLSRUSA-N 437.544 2.247 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCOc2ccc(Cl)cc2)CC1 508823462 DECLKCXPZJWKKN-IBGZPJMESA-N 433.940 2.406 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(F)c(C)c3)c2=O)cn1 557155450 NXFMNWMRPQIVBT-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 557459924 QGERPAKFFVIFNC-YJBOKZPZSA-N 429.498 2.110 30 10 IEEE C=CCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1C(F)(F)Oc1ccccc1 573489238 NMACQVAIDSCJEJ-OAHLLOKOSA-N 427.477 2.110 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 583097195 WZCLCAHIPNBINS-INIZCTEOSA-N 425.493 2.452 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cnc21 609028060 MWTVUEATSJCRFV-FQEVSTJZSA-N 428.452 2.090 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 609458917 LEUXDQGDLCZHOH-QGZVFWFLSA-N 449.349 2.257 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668205 AUQBKKGLHWZGSM-UHFFFAOYSA-N 428.517 2.334 30 10 IEEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1 730718641 MTPDJTNRURPKAH-SFHVURJKSA-N 429.546 2.437 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccnc1Oc1cccc(F)c1 732445684 BARIUWLLUBMAGB-VHEBQXMUSA-N 425.420 2.339 30 10 IEEE CCOc1ccccc1N1C[C@@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1=O 734292498 RGCLGHYIDFGWMG-INIZCTEOSA-N 427.482 2.123 30 10 IEEE CCOc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccoc3)c2=O)c1 743733114 BTWOVRUZJFWOIT-UHFFFAOYSA-N 437.521 2.166 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](C#N)C1 754309063 CFBOQIQSVFJQGJ-CRAIPNDOSA-N 440.500 2.328 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2F)CC1 756891504 NJADMWLLTKSCOW-HKUYNNGSSA-N 445.539 2.456 30 10 IEEE CN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1COC[C@H]1C(=O)O 757486766 QXHIQJFNPXMCGV-YADHBBJMSA-N 448.475 2.087 30 10 IEEE CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757528321 IIVNQJWANZFVAF-QRQCRPRQSA-N 436.464 2.133 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2c(C)cccc2C)C1 760290979 ALPLDVLWRCVZTB-HZPDHXFCSA-N 431.562 2.175 30 10 IEEE CCOc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)ccc1OCC(=O)OC 760401429 UTPSJHICSSRQPY-UHFFFAOYSA-N 438.502 2.171 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 761058409 XUTHVJBWHTVLQK-UXHICEINSA-N 431.945 2.427 30 10 IEEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCCOc1cccc(Cl)c1 765593495 GARICIPYPDWJFE-UHFFFAOYSA-N 430.848 2.132 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cncc3ccccc23)c1=O 772903669 AUEKOQLIAGMEST-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE CCOC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2c(F)cc(C#N)cc2F)NC(=S)N1 783811354 VBHAWGWRVCNXGZ-MRXNPFEDSA-N 428.420 2.450 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 788696185 JYUMGOOEOUCPRN-UHFFFAOYSA-N 427.280 2.398 30 10 IEEE COc1cc(OC)c2c(c1)C(=O)N(CCC(=O)Nc1ccc(C#N)c(Cl)c1)S2(=O)=O 790027004 PGCKWEZZNGPKLW-UHFFFAOYSA-N 449.872 2.402 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2ncccc2F)C1=O 790756200 FADOMTAIBJYDBQ-INIZCTEOSA-N 435.550 2.482 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)c1cnc(OCC2CC2)cn1 793303394 KPSAQHDLEKXRJN-UHFFFAOYSA-N 426.376 2.275 30 10 IEEE CC(=NNC(=S)NCc1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 797400240 SWCUSMCSUJPZHG-UHFFFAOYSA-N 441.376 2.485 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1 800747819 RFWSRXBGJRWONC-UHFFFAOYSA-N 433.560 2.314 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOC)CC1 802424367 LAQNIAVRQKXEBD-UHFFFAOYSA-N 440.592 2.313 30 10 IEEE C#CCN(CC#C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 810717584 YFQAPDOIJNBDOV-KOSHJBKYSA-N 428.488 2.466 30 10 IEEE CC(C)N(C)Cc1cc(O[C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)ccn1 856605021 VJRULBLCDHUUBD-OAQYLSRUSA-N 443.573 2.115 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc(Cl)c1OC 917795751 VMQLXSHWTQLBLE-UHFFFAOYSA-N 448.891 2.468 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1O 1084107919 FNQZVFSEYDOGFJ-UHFFFAOYSA-N 449.443 2.161 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1132668106 BSMIDKUPNZRFCN-UHFFFAOYSA-N 443.525 2.156 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1156254922 RVIXQGLFZSDQLO-VGSWGCGISA-N 429.521 2.382 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCC3(CC1)CC(=O)C=CO3)CC2 1157544965 PCPNPFZUXAFBGP-UHFFFAOYSA-N 442.512 2.233 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)s1 1159188005 KCAFFMFDCMEJMS-WGMWDUQUSA-N 431.583 2.002 30 10 IEEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1170165661 YIVVPIIQPDZKDW-DLBZAZTESA-N 427.482 2.030 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1188568981 GNUCYSPXGFZYGB-QGZVFWFLSA-N 429.539 2.021 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1265541088 QGXZWLLQALXUNK-OAQYLSRUSA-N 426.477 2.163 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 1286268932 BYLSXEYQXZQGNY-QGZVFWFLSA-N 439.564 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1286297234 VBTNHFUDBYDDLP-QZTJIDSGSA-N 443.552 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H](O)C1 1286397641 ONWJVJDWRCSZNN-AZUAARDMSA-N 439.947 2.485 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)nc1 1286408810 KDIQYOAOSICJHR-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCS(=O)(=O)C1 1286452086 BFIQCFQHDTWIEU-KRWDZBQOSA-N 432.546 2.150 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1286712382 XQFQHOOKZFWMGI-KRWDZBQOSA-N 426.583 2.026 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)nc1 1286773990 WTYAONJRRRIFMQ-HXUWFJFHSA-N 442.564 2.438 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1286788548 YLWCCXZHJAVIHI-KRWDZBQOSA-N 429.521 2.128 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286790352 MZKZRHYYNZUTCW-NTKDMRAZSA-N 439.560 2.140 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286825584 SVQXMNSVMLIQNU-IKGGRYGDSA-N 426.583 2.370 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nccn2C(F)F)CCOC1 1288304915 IQKOGHJSBZVGRP-RTBURBONSA-N 439.442 2.401 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1288357061 QETOXPJZWNOZLJ-HNNXBMFYSA-N 444.598 2.330 30 10 IEEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291071468 BIICJUWWAFBKFI-JUQVVLDHSA-N 438.536 2.220 30 10 IEEE CCOCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCS(=O)(=O)C1 1297086320 BEULNZNKOJKCAW-SFHVURJKSA-N 429.546 2.290 30 10 IEEE CN(c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1298117807 NEJNJJBYRFEKDH-MXLIYFDZSA-N 442.907 2.350 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1298559395 FIKJOEVEVFOFQY-IBGZPJMESA-N 441.532 2.133 30 10 IEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1300019580 ZQGKUNLTTJYZRM-OAQYLSRUSA-N 449.555 2.212 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1300305277 TXDWDSRTWXGEJH-IWAYBZMOSA-N 438.557 2.044 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1300373416 YMCOOYRKTZFAJH-GOSISDBHSA-N 429.496 2.141 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC(=O)N1 1300657140 UACYBJGLVBOHDZ-GFCCVEGCSA-N 438.351 2.134 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1300700465 QIPQOESXHAYRTL-RBUKOAKNSA-N 428.606 2.292 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1300972831 QOYJQSLGUPKHGT-AOMKIAJQSA-N 448.568 2.112 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301222700 DIIJQHGTLLLLQW-IBGZPJMESA-N 449.621 2.375 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301545883 MVVKRKVNNGDLAV-HOCLYGCPSA-N 437.953 2.210 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1301981871 NKAYNPJYNCVWLD-NVXWUHKLSA-N 432.550 2.024 30 10 IEEE CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1302190927 JPZIIIADXYSZTI-SFHVURJKSA-N 425.537 2.300 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2cc[nH]n2)C1 1303939513 HFKFZYVKJOYJKH-QHCPKHFHSA-N 432.532 2.346 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n(-c2cccc(F)c2)c1C 1308058940 XZUMLXCIPXODAW-IAGOWNOFSA-N 444.532 2.410 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2 1308131946 NMPFHGONEMEVEK-MRXNPFEDSA-N 426.571 2.031 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1313241249 AUPMBCULLSMBOR-PSASIEDQSA-N 448.332 2.309 30 10 IEEE CCOC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCCC1 1314152176 QRPUMKBZKLMROF-GCJKJVERSA-N 433.553 2.397 30 10 IEEE CCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 1351834072 HQZXQDUEBSTYLE-NVXWUHKLSA-N 437.949 2.380 30 10 IEEE C=CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CCS(=O)(=O)C1 1352904990 MWSGQAQWYXABNR-ZDUSSCGKSA-N 426.288 2.371 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)cc1 1358976837 SXDAGUBTLPBXNL-UHFFFAOYSA-N 430.468 2.085 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1359009185 KCBHNMFHKODOQV-KRWDZBQOSA-N 432.569 2.378 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359058905 UMJZTXAFGJZWDZ-GOSISDBHSA-N 427.574 2.405 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359183272 HLWRROTZXXBIHR-JOCHJYFZSA-N 425.537 2.490 30 10 IEEE C=CCCOCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1C(C)(C)C 1359229612 OLOMFXJZMDXXIB-UHFFFAOYSA-N 432.613 2.303 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359330533 VIPNQCBCNDAHLS-KRWDZBQOSA-N 447.561 2.131 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)c1C#N 1435914686 ZDIPHMKUIAFWPC-GOSISDBHSA-N 443.552 2.226 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2=O)cc1Cl 1443474943 BOUMIVYFIUSDOC-VQIMIIECSA-N 430.936 2.324 30 10 IEEE CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(C(N)=O)c1 1458087716 GGVVUGJDQWNFAK-CYBMUJFWSA-N 425.876 2.368 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCCC(=O)Nc2cccnc2)cc1Br 1463008286 IBPABFCUFYNJBR-UHFFFAOYSA-N 427.255 2.162 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OCC 1464381104 IQERMKDVODRIAF-AWEZNQCLSA-N 448.335 2.341 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1)C(C)C 1465138445 CBTQQKAQXUZPNV-SFHVURJKSA-N 436.578 2.333 30 10 IEEE O=C(N[C@@H]1CCCS(=O)(=O)C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1469575902 GLPKJMFQTLYURQ-VGMNWLOBSA-N 444.344 2.376 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1499419637 HYZDZOQJWHSHQC-YLIUKNOZSA-N 435.532 2.415 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)[C@@H](C)C1CCC1 1501551017 UOZGDJPMBZCQIN-KSFYIVLOSA-N 443.573 2.381 30 10 IEEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504022903 QCLBJGZTMLDIIH-PRGIXHJTSA-N 444.536 2.051 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1507516557 LHNHVSQONPPQRQ-DLBZAZTESA-N 445.589 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507537417 LHSWAJUDTFASTH-FQEVSTJZSA-N 443.555 2.071 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1507593881 AEKYGCCKBZZLPP-UHFFFAOYSA-N 434.544 2.443 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1507845235 BYCPJRZSJZEBSF-LJQANCHMSA-N 427.505 2.085 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1507964507 AYHPHBWILZINEW-MRXNPFEDSA-N 444.502 2.066 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1508005541 YABBOBPDDXCCEM-IBGZPJMESA-N 425.533 2.353 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1508062411 HURKOCTUTVIFDS-QGZVFWFLSA-N 438.536 2.253 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2)C1 1508119043 ZHANKDKFYUNMOI-MJGOQNOKSA-N 433.578 2.221 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNC(=O)c1ccco1 1513913204 FKFRUUOEMHVERY-UHFFFAOYSA-N 437.479 2.201 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCCO3)n2CCSCCCO)CC1 1521111322 WDGZXKVKEJIKSO-HXUWFJFHSA-N 442.589 2.443 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1530272747 CUOBJTLYGNCYAZ-UHFFFAOYSA-N 435.450 2.437 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCS(C)(=O)=O)c1 1539037575 HIIPWEDARPPPRI-UHFFFAOYSA-N 431.562 2.067 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CC 1539179243 NYSOJDSIBIIQOM-ZWKOTPCHSA-N 432.569 2.140 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)C2CC2)CC1 1539520801 UNANQUATZZDUIT-UHFFFAOYSA-N 444.630 2.495 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539750913 DPABPDCSPPQACI-INIZCTEOSA-N 431.497 2.321 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1540044367 UJQBPCOULYMVKL-UHFFFAOYSA-N 426.565 2.044 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@H]1C 1540189279 OILQMRYOVRVWAM-FDDCHVKYSA-N 443.548 2.326 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1 1540694867 JIWRVZYFVKYFHH-GOSISDBHSA-N 429.494 2.190 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1540871301 IMCFGJINFDDDKJ-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540885636 MVWYFESTMBBDTF-QFBILLFUSA-N 432.546 2.170 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CCO1 1541744152 HPHZLLNHQJCZJX-SIKLNZKXSA-N 443.573 2.315 30 10 IEEE Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543200945 ZNFCHMDANOTSEZ-CZIZESTLSA-N 440.529 2.274 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)c1 1544608879 XTFLQOYSPPXQRU-SVTVQYSDSA-N 437.566 2.301 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1547628540 GHZAGWUVJHHKRU-IBGZPJMESA-N 436.520 2.108 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1547944579 KQSBADOVKGNJON-OYHNWAKOSA-N 426.521 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC1CCN(CC#N)CC1 1558929699 PHYVXURLLXYJHZ-IBGZPJMESA-N 444.532 2.117 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 1570563832 XQNHAIJUBHOPKR-KRWDZBQOSA-N 429.542 2.416 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3CCN(c4ccncc4)CC3)n[nH]2)c1C 1583808272 SYLFYTPXUUYIOD-UHFFFAOYSA-N 448.575 2.413 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)c1cc[nH]n1 1584763662 KTZXFAOPIFWCQC-LJQANCHMSA-N 427.505 2.037 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1587626204 IQEXTFUDPZESCM-MSOLQXFVSA-N 449.559 2.289 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)s1 1588177371 QGEVPKOKYABMFY-UHFFFAOYSA-N 435.571 2.469 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](OC)C2CC2)CC1 1588780701 VTFYQATULPTTHF-OAQYLSRUSA-N 425.533 2.143 30 10 IEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCOC)CC1 1588813310 XDUXYLNHOYMJSX-UHFFFAOYSA-N 446.596 2.184 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1594669272 UHATUCYIXBHCFQ-UHFFFAOYSA-N 431.629 2.377 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1595877834 BJAABIZVQLBJPF-HNNXBMFYSA-N 448.622 2.025 30 10 IEEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OC 1596235084 VMQQKIQNYRNFMP-GOSISDBHSA-N 444.500 2.380 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CCO1 1596632846 GGWYUQMRKDAMBE-DFQSSKMNSA-N 426.496 2.296 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1597813214 RHOPZNRUMFCPQQ-KRWDZBQOSA-N 432.571 2.094 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1611541460 JFSGMVCIYSHTBX-JOCHJYFZSA-N 449.479 2.498 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1615956196 DPDJSLXPQVHHLA-HKUYNNGSSA-N 437.548 2.483 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OCCN(C)C)cc2)c1 1616878534 NGRDNBYGYAZSME-UHFFFAOYSA-N 428.554 2.397 30 10 IEEE CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1618196941 DYJVRSHVUWILLO-LJQANCHMSA-N 428.562 2.477 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccccc1)N(C)C 1620111039 IOOLQLUIVIZULR-BURNTYAHSA-N 440.548 2.034 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 1622325418 UQERUJRVHUTCCJ-HNNXBMFYSA-N 427.494 2.207 30 10 IEEE CNS(=O)(=O)Cc1ccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1623529512 GAJOPERHBYNQBK-UHFFFAOYSA-N 449.573 2.003 30 10 IEEE N#C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCc2ccccc2C1 1625437039 WNMRBQJIUDDHQW-LJQANCHMSA-N 448.342 2.295 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(C2CCOCC2)n1 1629583304 GADCCRBJSWKENZ-KRWDZBQOSA-N 445.545 2.471 30 10 IEEE N#CC1(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCSCC1 1632642620 OWYDRWCALBBQRM-HXUWFJFHSA-N 426.586 2.359 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1633141421 ZQPBHOIVSQAMSJ-UHFFFAOYSA-N 428.533 2.129 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c1 1634716629 BYYAAPAFTFRQCB-OAHLLOKOSA-N 446.378 2.485 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1636303028 ZOVGBJQYNKVIQK-GJZGRUSLSA-N 437.990 2.152 30 10 IEEE CCOC(=O)[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1636913783 HXZFMXFVQAAOPO-RTBURBONSA-N 443.500 2.183 30 10 IEEE C=C(CC)CNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1638020869 ZELUPDDCQQMIGJ-UHFFFAOYSA-N 435.315 2.305 30 10 IEEE COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c2ncccc2c1 1647728888 KSPKUXNFHGBIDZ-UHFFFAOYSA-N 438.465 2.384 30 10 IEEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@@](C#N)(c2ccccn2)C1 1647980831 MPERSOFKJYPIFG-LVXARBLLSA-N 447.583 2.476 30 10 IEEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1648293704 QGNLFJSXUGWGTB-CZUORRHYSA-N 447.605 2.312 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](OC)C(C)(C)C)nnc12 1648595164 BPGPEZKZMXUFQO-INIZCTEOSA-N 429.546 2.500 30 10 IEEE N#CCc1cccc(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)n1 1650946375 UIEWALLXZQKZGX-UHFFFAOYSA-N 429.683 2.463 30 10 IEEE C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654689305 RZFRZUYQIXNQBS-JTSKRJEESA-N 449.573 2.432 30 10 IEEE CN(CCc1cccc(C#N)c1)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 1655381268 LVWXWYIJLJMMOL-XMMPIXPASA-N 433.512 2.007 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n(-c2ccc(F)cc2)c1C 1655521014 CJJXZLCQQWLFLM-SJORKVTESA-N 444.532 2.410 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C)C1CCOCC1 1667021865 XFLGQBYFZDFRRW-GOSISDBHSA-N 436.578 2.333 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)C[C@H]1CS(=O)(=O)C2 1681975669 WHUBCJHGOMFNAW-VGWHQZGPSA-N 442.310 2.024 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 1683051326 JDMVMOBKTDOXKY-GBESFXJTSA-N 432.565 2.193 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C2)nc1 1686724704 ACYUBDPXSXSFAO-QGZVFWFLSA-N 443.454 2.431 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689941608 RRPFQRBEBOLTNB-OFNKIYASSA-N 442.564 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)cc1 1690031851 ZLUAZPIYSXWLTF-UHFFFAOYSA-N 441.495 2.395 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 1690041921 NUIBLPMGUKWKAI-NRFANRHFSA-N 434.588 2.443 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690092222 AMMWBAVTIXOXMI-MOPGFXCFSA-N 439.564 2.132 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCOC1 1690169970 VDKPTJJHCINRMQ-MRXNPFEDSA-N 448.618 2.077 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)CN1CCOCC1 1690667050 OTRDQJXKNDFGOT-UHFFFAOYSA-N 444.555 2.181 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)nc2)C1 1690697513 WVYXMNJXWZENFU-QZTJIDSGSA-N 426.521 2.241 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS(=O)(=O)C1 1694081888 PZDUXQHXLWZRJI-GJZGRUSLSA-N 444.561 2.151 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)N(C)C2CCCCC2)CCOC1 1696046349 HZAVWZDPTWXZJO-HSZRJFAPSA-N 444.580 2.461 30 10 IEEE COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698070360 CHYNVRAHAWJDLE-UYAOXDASSA-N 439.564 2.436 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2cccs2)CC1 1705532042 DXZDGBXVRAOBER-SFHVURJKSA-N 447.630 2.020 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC(C)C)CC1 1705700530 UZFKNAGCTVFTDN-PZJWPPBQSA-N 441.580 2.263 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705709793 DOJYJCRXIUBEOW-ABSDTBQOSA-N 441.598 2.019 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705746517 UZCOITVCTDETBL-INIZCTEOSA-N 449.939 2.423 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1705902813 JXYZAQQUJAYXGT-AUUYWEPGSA-N 445.486 2.004 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)C1 1705925098 LDPXBBIMYQWLGH-UXHICEINSA-N 446.573 2.178 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]2CCC[C@H]21 1705930453 NSJLGRJRUSBUSU-IAGOWNOFSA-N 444.561 2.295 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCCO1 1707951739 NOORIOZMFZBKLZ-PXNSSMCTSA-N 438.532 2.069 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708607643 ZMTWFLCLSQSSHX-DLBZAZTESA-N 439.564 2.437 30 10 IEEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1709284655 SEUCVRPIIGMGGP-AEFFLSMTSA-N 437.504 2.096 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1711009133 LHGZRCGOQKNHAJ-UHFFFAOYSA-N 434.548 2.406 30 10 IEEE CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1711416768 CBVJDMUVGRJDOU-LJQANCHMSA-N 430.578 2.281 30 10 IEEE COC1(C(F)(F)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOCC2)CCOCC1 1711586168 OHPWYHJKYQIQMG-UHFFFAOYSA-N 433.459 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccn(CC)c1=O 1722279608 HTGBNTLCWGYBRN-INIZCTEOSA-N 439.541 2.036 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722325324 JAZUISZSXWDQOL-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1722335517 OANNUXWILAXSSF-UHFFFAOYSA-N 434.544 2.495 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722361191 XRENWHJIIRKVSF-SFHVURJKSA-N 433.578 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)CCC 1722371010 QIMFRMLRFWYHKQ-QFIPXVFZSA-N 427.936 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1C 1722396855 LQTUJZQMTZAOHN-UXHICEINSA-N 440.569 2.419 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1722431015 DSQLGVQEFZKLBK-QFIPXVFZSA-N 436.604 2.404 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1722458384 HVFXSPRDVKPNGR-HOTGVXAUSA-N 443.577 2.486 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1722528759 KVWKXBKORMHRAW-KRWDZBQOSA-N 433.578 2.352 30 10 IEEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1722541574 OTFXAMCKKNUQHJ-LJQANCHMSA-N 431.562 2.315 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1722628651 ADTOEWDVZZSEFY-UXHICEINSA-N 446.573 2.351 30 10 IEEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722651974 XTNSCHNTTVVVBL-HNNXBMFYSA-N 436.607 2.070 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1724011072 NREZXROOOMJARI-XLIONFOSSA-N 448.618 2.342 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1728095733 AOEPFKCSRPJLHV-KRWDZBQOSA-N 445.518 2.366 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1(C)C 1730409125 XDESPRUPOJQRPS-LJQANCHMSA-N 440.548 2.458 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](OC)C(C)(C)C 1730868700 KNJAIGYSHXEZIU-BHIYHBOVSA-N 434.585 2.240 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1730914960 ICCURCIVKGHYSX-QHCPKHFHSA-N 438.532 2.119 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1740560786 PQHUKSKIHIGBCO-MJGOQNOKSA-N 430.574 2.355 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740586841 OXACITBXZSFVMM-SFHVURJKSA-N 436.560 2.156 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)Cc1ccccc1 1740612414 RFFBYQNDZNDAHP-UHFFFAOYSA-N 429.571 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1740653028 WRCVHAHXKHGZND-FQEVSTJZSA-N 442.514 2.467 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CC(OC(C)(C)C)C2)CC1 1740695194 IQBJENKGQHGFQR-UHFFFAOYSA-N 425.581 2.418 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCn2ccnc2C)CC1 1740700345 PGMGFNLWIIJMQQ-UHFFFAOYSA-N 449.559 2.216 30 10 IEEE C=CCCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1740866861 QETRJHLUDACSCB-QFIPXVFZSA-N 429.569 2.347 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740885510 IMZNNGHBHLTYJN-FQEVSTJZSA-N 441.580 2.498 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1740938072 XIDUHWVABRLEJJ-KRWDZBQOSA-N 428.537 2.220 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(C(C)=O)C2)C1 1740983137 BTFNEORGCJFGFF-SFTDATJTSA-N 441.580 2.180 30 10 IEEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1742482646 JRAQGALCPLIUEL-XDOYNYLZSA-N 429.484 2.500 30 10 IEEE CN(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1747557978 DQPPNQMVJAGALX-SFTDATJTSA-N 435.507 2.435 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1748745765 WVQRHTKPSADPMF-GOSISDBHSA-N 432.532 2.460 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnc(C)s1 1748948472 OGUBBYQIFNHJFO-UHFFFAOYSA-N 439.545 2.441 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1748978826 PMZAPCWWYVBJOP-DNQXCXABSA-N 445.608 2.017 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccccc2C(C)C)CC1 1748990361 HHPWCJYOARANRB-HXUWFJFHSA-N 436.560 2.187 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749363346 BAYOGDLFPOYQEV-HTAPYJJXSA-N 427.553 2.317 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1749484826 KEWOIQZYJGPOOD-HSZRJFAPSA-N 438.532 2.493 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(N)=O)cc1 1749831071 VIBJGHOVIRXNGD-KRWDZBQOSA-N 427.509 2.077 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CC2(O)CC2)cc1 1750382220 CGYBMGAVOUOIBR-UHFFFAOYSA-N 448.449 2.237 30 10 IEEE C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1751140204 HQVYQEQSFIQOKP-MWTRTKDXSA-N 434.548 2.272 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1752747302 LXCDPONMBQZFPQ-JKSUJKDBSA-N 434.566 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCS(C)(=O)=O 1760114117 GRVRUUFLKHVYMU-HNNXBMFYSA-N 442.545 2.267 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCN(C)C1 1760212188 ULVUCSAHIHIPMR-JOCHJYFZSA-N 429.471 2.076 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1ccco1 1760219987 AAFFRYGEWASIPP-UHFFFAOYSA-N 431.496 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)c(O)c2)CC1 1760268687 VTNYWOPFZKHZMN-UHFFFAOYSA-N 434.500 2.002 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760277106 AJESBEMXPURRLX-UHFFFAOYSA-N 425.558 2.427 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1760380476 DGGYYARMUWLTSR-WMZOPIPTSA-N 425.961 2.056 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760523361 VPCWPHQYWOXXMU-UHFFFAOYSA-N 444.543 2.159 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2ccc(OCC)cc2C1 1760523694 FWSAFIMVPZTGMX-SFHVURJKSA-N 425.533 2.436 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1763448858 ALRBHMAAWFUXHX-XLIONFOSSA-N 449.563 2.333 30 10 IEEE Cn1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)n1 1767480619 HAYZZSQKNIZLSV-KRWDZBQOSA-N 433.289 2.454 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@H](C)C2)CC1=O 1769876675 CJDRWTOHSGDGJQ-AEFFLSMTSA-N 440.573 2.253 30 10 IEEE COCCO[C@H](C)c1nnc(N2C3CCC2(C)CC3)n1CCN/C(O)=C1/N=CC=CC1=O 1769966281 MAQSXAPZKRLASY-SDQKNVBSSA-N 444.536 2.050 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851109084 MDDSDEAZAIXKNL-NRFANRHFSA-N 449.536 2.024 30 10 IEEE Cc1nn2c(C)c(C(=O)OCCNC(=O)c3ccc(N4CCCC4)cc3)cnc2c1C#N 1851433655 PJHXWURPLLHYIP-UHFFFAOYSA-N 432.484 2.405 30 10 IEEE N#Cc1ccc(F)c(C(=O)O[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c1F 1852528660 RJLMSKYXLDQRPU-RDJZCZTQSA-N 425.391 2.005 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F 1853114858 WUCHPIBYWPFEHA-VXGBXAGGSA-N 439.900 2.127 30 10 IEEE CN(CC(=O)N1CCN(CCC#N)CC1=O)c1nc2ccc(OC(F)(F)F)cc2s1 1856052530 BWXTXAJAPRBEQD-UHFFFAOYSA-N 441.435 2.216 30 10 IEEE N#Cc1ccnc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4CCCS4)C3)CC2)c1 1856954149 LOMXQOURZBMLMV-OALUTQOASA-N 428.558 2.315 30 10 IEEE C[C@@H]1Cc2ncn(CCC(=O)N3CCN(Cc4ccc(C#N)s4)CC3=O)c2C[C@H]1C 1857508461 WNKDHNBZCQEAFL-HZPDHXFCSA-N 425.558 2.448 30 10 IEEE CCOc1ccc(C(=O)N=c2nnc(CCC(=O)Nc3ccccc3C#N)c(O)[nH]2)cc1 1860829443 XMIAJEHXDWCNPO-UHFFFAOYSA-N 432.440 2.093 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862609671 SAODUOCMSOHYHC-HXPMCKFVSA-N 440.408 2.325 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004600 FNRRNOCGBAADLJ-SFHVURJKSA-N 429.546 2.306 30 10 IEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccs1 1874209804 GWSOBMGGLPHMEU-WPZNHYQYSA-N 440.554 2.315 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 1889511446 STGUTVZCJAUGDM-UHFFFAOYSA-N 446.038 2.212 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1 1982282331 WUKVPDARRBPADP-RKFFSXRUSA-N 431.374 2.237 30 10 IEEE C=CCN(CCC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985018253 RWAAVVDRRHOKQF-OAQYLSRUSA-N 427.542 2.288 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625115 HBPAZTGDTMYERW-HIFRSBDPSA-N 432.330 2.217 30 10 IEEE C=CCC1(C(=O)Nc2nc(O)nc(O)c2Br)CN(C(=O)OC(C)(C)C)C1 2125882774 SZMBIEOFSVPJSC-UHFFFAOYSA-N 429.271 2.402 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1 2224123520 HLUNHYSFDJYVPA-INIZCTEOSA-N 433.358 2.107 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2247774043 RWDBWDYUWQCQQJ-UHFFFAOYSA-N 425.363 2.400 30 10 IEEE CON(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2247831703 CGPQIAHPDMJWPH-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255698758 SIKASMWCPVXBPP-KRWDZBQOSA-N 431.342 2.462 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C=CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256657120 BIXVPTLDINYOAS-HNNXBMFYSA-N 430.314 2.198 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266063136 WXXSWVQIALTGFE-UHFFFAOYSA-N 446.401 2.370 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2267092209 MPNLBUZIMUHRCP-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2267099756 NLIOOPQCAQVJRA-CWRNSKLLSA-N 446.357 2.227 30 10 IEEE CO[C@@](C)(CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)COCc1ccccc1 2267197820 OWQYLHGGEHLZEF-QHCPKHFHSA-N 443.353 2.071 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2267536554 CTTAISWLQAAEGE-LSDHHAIUSA-N 448.373 2.093 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267579301 QASOMWFPNSZZAL-QHCPKHFHSA-N 446.353 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267609704 UUUPOCLQLQLFRD-WBVHZDCISA-N 443.353 2.462 30 10 IEEE Cc1nc(NC(=O)[C@]23C[C@H](NC(=O)OC(C)(C)C)[C@H]2C3)ncc1B1OC(C)(C)C(C)(C)O1 2268650454 PDZROKBPCPKMFW-QOAZOABKSA-N 444.341 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@H](O)C#Cc1ccc(Br)cc1 2278785682 IENYYKFFJRCQEI-CVEARBPZSA-N 444.347 2.099 30 10 IEEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)Nc3nnns3)c(Cl)c2)OC1(C)C 2282413855 KJYUNHYXHKVQQK-UHFFFAOYSA-N 437.139 2.340 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 2282835732 ATXYQVIDBIWZRJ-AWEZNQCLSA-N 443.396 2.129 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303598646 GPUMITLEILRTRC-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE CC1(C)OB(c2cc(=NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)[nH]cc2F)OC1(C)C 2322300559 SETZWYOYKAELHH-LBPRGKRZSA-N 431.239 2.155 30 10 IEEE COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@H](O)C(=O)O4)[C@H]13 2333242413 TVCONGKEWSYBKD-IXHIYZQOSA-N 430.497 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2337323268 GKNMWGVFZNBAPK-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H]2COC[C@@H]12 2345742206 XPBGJURKENRMLO-XKQJLSEDSA-N 449.332 2.248 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2366839564 YPZPLEVSWWJPDE-SWLSCSKDSA-N 439.306 2.478 30 10 IEEE COC(=O)c1c(C)oc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1C#N 170493339 DFFSEVBWEDEEPH-UHFFFAOYSA-N 446.213 2.244 30 10 IEEE Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1-c1ccccc1 435615052 HVXBMTGAXZYVOB-UHFFFAOYSA-N 449.536 2.263 30 10 IEEE O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCN(CC#Cc2ccccc2Cl)CC1 441138814 GPGKMDXDAQYQEB-UHFFFAOYSA-N 430.917 2.280 30 10 IEEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465378639 FILFBQFWYQULPL-ICSRJNTNSA-N 447.557 2.463 30 10 IEEE COc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1NS(=O)(=O)c1ccc(F)cc1 466949072 MMNYYLSFLIOTTN-GFCCVEGCSA-N 444.448 2.298 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3cc(C#N)c(SC)nc3O)C2=O)c1 477603477 RTKVTIRYDBCZQH-QGZVFWFLSA-N 442.497 2.275 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 506865504 NFRZLVVMZXXUHR-UHFFFAOYSA-N 444.488 2.369 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)C(C)(C)C1 508890134 VYQIPRRIGZBSIG-UHFFFAOYSA-N 428.356 2.246 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(CCCOCC(F)(F)F)CC2)ccc1Cl 512036799 MBZRVMXDIGBWDP-UHFFFAOYSA-N 425.860 2.487 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541654644 FLKUFJCKWIIXJJ-IBGZPJMESA-N 431.470 2.460 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(CC)s2)CC1 555252545 NPPNDGWYEFMTAS-OAHLLOKOSA-N 436.607 2.102 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 679530110 BSOCUIRPUBZGBT-OAHLLOKOSA-N 429.395 2.080 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC2(O)Cc3ccccc3C2)c1 738905967 OCNBIGAJLGDZLF-QQTULTPQSA-N 442.541 2.151 30 10 IEEE COc1ccc(COC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1C#N 747039132 GSZIBKOSOVOGJO-UHFFFAOYSA-N 443.525 2.071 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)Cc2cccc(C#N)c2)c1 750433021 SWMJUKXSBJFTKG-UHFFFAOYSA-N 429.498 2.313 30 10 IEEE Cc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1ccc(Br)cc1 751017198 FQJAGVXIKIFWEO-HTXNQAPBSA-N 444.289 2.199 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2c(C)cccc2C)C1 760290978 ALPLDVLWRCVZTB-HOTGVXAUSA-N 431.562 2.175 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 767798440 ZYRVTJSREKCLRG-IRXDYDNUSA-N 448.545 2.328 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 771643863 PBYVIROZJFDVIF-VLIAUNLRSA-N 431.489 2.089 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC(C)C)cc3)cc2C1=O 773929595 KAUZUAAQEBAMHH-UHFFFAOYSA-N 428.466 2.375 30 10 IEEE COc1cc(-c2noc(COC(=O)[C@@H](O)c3ccc(C#N)cc3)n2)cc(OC)c1OC 780214598 MSJJNTNGEGURRO-SFHVURJKSA-N 425.397 2.411 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccc(Br)cc2)n1 788695159 GKSQXBNSFJJDFF-UHFFFAOYSA-N 426.336 2.257 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 788912336 CSAKXNSNEAOKNT-IBGZPJMESA-N 433.553 2.464 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@@H]1CCCO1 799934217 QNOGJGCFYHFAGM-HOCLYGCPSA-N 444.528 2.355 30 10 IEEE CCN(CC)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)CC1 802456794 ZQVHIVUMKDHNPM-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@@H]1CCCS(=O)(=O)C1 807930445 SJNYWHDTQVHAOI-MAUKXSAKSA-N 449.598 2.420 30 10 IEEE C#CCN(c1nnc(CCCOc2ccc(Cl)cc2C)n1C)[C@H]1CCS(=O)(=O)C1 809807384 NNTBGITWGOTEJY-KRWDZBQOSA-N 436.965 2.415 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3cccnc3)n2)c1OC 1084631287 UZSMGUNBSYUCMB-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 1124276666 RCXIIDHQVAHNPD-KGLIPLIRSA-N 434.283 2.377 30 10 IEEE C[C@@]1(c2cccc(NC(=O)COc3ccc(C#N)c(Br)c3)c2)NC(=O)NC1=O 1125244446 MXHMBAPWHQMPGU-IBGZPJMESA-N 443.257 2.393 30 10 IEEE Cc1cncc(N(Cc2ncc[nH]2)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1128796231 QEVCMPRCEQHUIX-LJQANCHMSA-N 443.467 2.423 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 1135762265 DUKCVPRSZMKSGR-FQEVSTJZSA-N 426.473 2.146 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCc4nc(N)sc4C3)C2)C1 1140528465 FQDYVJDCAZLUKL-LZPWWVKNSA-N 431.562 2.486 30 10 IEEE CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1141380299 LDMFGDIALGUEBA-KRWDZBQOSA-N 437.905 2.275 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccnc3c2CC(=O)N3)CC1 1144762874 FEQMJLVODMCNSB-KRWDZBQOSA-N 440.301 2.361 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CN(C)CCN3Cc3ccccc3)CC2)o1 1149072640 PQCIPDCYYWHCFL-NRFANRHFSA-N 436.560 2.004 30 10 IEEE CCn1c(=O)nc(O)c2c(C(=O)NCc3cc(F)c(C#N)c(F)c3)cc(C3CC3)nc21 1155203696 DENMEAHBYCURIR-UHFFFAOYSA-N 425.395 2.474 30 10 IEEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C(=O)OC 1161357677 SYLWEUPZQVAEDN-HNNXBMFYSA-N 447.340 2.075 30 10 IEEE C#CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)CC(=O)OC(C)(C)C 1171791289 GCXVIIFPPOIHCO-HDICACEKSA-N 447.551 2.332 30 10 IEEE C=CCN(CC(=O)OCC)S(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1186095151 JBZYHVMSORPQAW-LJQANCHMSA-N 438.546 2.416 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286333838 OIKPYKNNSJEJGY-UHFFFAOYSA-N 426.546 2.255 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1286450172 DOLKQSQTNOEEPH-CQSZACIVSA-N 437.516 2.358 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 1286470262 WAXKAOOMZFDKGE-MSOLQXFVSA-N 436.560 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286546966 LXVTUXPIDRUULP-IUKKYPGJSA-N 447.580 2.172 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)CC1 1286565534 PMAJDFKDNBZIDY-AZUAARDMSA-N 426.521 2.134 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286612115 SQHRXQNBOIWKMK-QGZVFWFLSA-N 431.516 2.021 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1286972093 NKSRELBWCAYGCU-ZACQAIPSSA-N 443.556 2.326 30 10 IEEE CSCC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nnc2ccccn12 1290359466 SYGFJUKQBXPYGE-INIZCTEOSA-N 447.517 2.390 30 10 IEEE CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1291443515 AUDJWQWABMVMOG-INIZCTEOSA-N 431.562 2.239 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1296516956 CWJYPCPNXXPUNT-VFNWGFHPSA-N 427.509 2.070 30 10 IEEE Cc1c(Br)cnc(O)c1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1297334028 HSNVHKSRWGCTLL-OAHLLOKOSA-N 429.274 2.261 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)(c2cccc3ccccc23)C1 1300128351 HLZKDXKIBZMRLI-INIZCTEOSA-N 435.505 2.108 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300298642 FNIJTXPETAJXRX-WOJBJXKFSA-N 430.560 2.404 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2CC)c1 1300334211 IJLXKOHQGMYNAR-TZIWHRDSSA-N 436.560 2.323 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300470317 LMJYHIZVXXPVDP-UHFFFAOYSA-N 426.546 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCO[C@@H](C)C1 1300527101 BMFHEBIHVFNZCX-RBUKOAKNSA-N 444.539 2.470 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1300629921 JBLKOJLQNPUWHR-UHFFFAOYSA-N 444.587 2.331 30 10 IEEE COCCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1301524849 FXPKQHCEHRSBMN-FQEVSTJZSA-N 425.472 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccco2)C1 1301579528 URTKDAAKASFWLP-SFHVURJKSA-N 431.518 2.055 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301606499 RDKLQJSLDFKNIV-UHFFFAOYSA-N 438.561 2.013 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)c2ccccc2)C1 1302977988 FJODFUNHXQAENE-HXUWFJFHSA-N 426.477 2.256 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cc(C(C)(C)C)no1 1303827463 HHMQQPCBGGZILC-AWEZNQCLSA-N 449.581 2.352 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)C1 1303933274 HZHAIOLJLNWFMQ-XLIONFOSSA-N 435.594 2.396 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C 1309856520 YBMZLFXMCHZOQM-MHZLTWQESA-N 435.612 2.462 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1 1314556951 CIIIJRBCJDVHSS-UHFFFAOYSA-N 442.570 2.380 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1314876370 PFJSQNXHHFCNOB-UHFFFAOYSA-N 434.566 2.007 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1314977763 NSEDZMSOMUCGTR-ZDWFVDTJSA-N 438.532 2.116 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1316047799 DAFCBXGCLPGNJQ-UHFFFAOYSA-N 428.537 2.458 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961959 HOMFBKPLPUWJMR-WOJBJXKFSA-N 433.622 2.293 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1359024457 NLXZYIUCNXOAHV-QZTJIDSGSA-N 435.569 2.417 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359070059 DNFUICVBOFUGQA-YOSAUDMPSA-N 442.608 2.107 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359208977 YEMFWVLMLYTTLG-PKOBYXMFSA-N 433.578 2.302 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359305381 BPRLSZBJYBGDDC-IBGZPJMESA-N 445.486 2.400 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)cc2C1=O 1440003106 FRKZMKIGDWMDCC-UHFFFAOYSA-N 439.493 2.303 30 10 IEEE C=C(C)CONC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1452773492 HIVPDSYPNFZUCP-GUYCJALGSA-N 445.969 2.359 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1452941023 FQKBIOAEYWAMQA-RTBURBONSA-N 429.517 2.466 30 10 IEEE N#Cc1cn(C2CN(C(=O)CCSc3ccccc3Br)C2)c(=O)nc1O 1457196040 MTUBDKVEEYLNSC-UHFFFAOYSA-N 435.303 2.149 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1ccc(Br)cc1C#N 1460447253 HXULBZKNKVOBLI-LJQANCHMSA-N 440.338 2.409 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C[C@@H](O)COc3ccccc3C#N)C2)cn1 1460652389 QFAVRQKIOISLIZ-SFHLNBCPSA-N 440.544 2.479 30 10 IEEE CC(C)(C)OCCCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1460694847 KADFAHPLELIUCU-FQEVSTJZSA-N 447.649 2.280 30 10 IEEE Cc1cc(N(C)C)cc(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464031948 KISVHROHWIVVOE-UHFFFAOYSA-N 440.569 2.317 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1nnn(C(C)(C)C)n1 1469637790 YNBQIDGUGDOQKV-GOSISDBHSA-N 439.520 2.450 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1469863874 IOLAFFGYXXZYKM-PDTIQJOESA-N 432.546 2.298 30 10 IEEE CC1(N2CCCC2)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1473695605 UNFSIQMRMUSJNQ-QFIPXVFZSA-N 427.568 2.485 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(C(=O)OC)nc1 1475196254 XKKRZNBJPGYPLN-IBGZPJMESA-N 432.498 2.219 30 10 IEEE Cc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1492781720 JAQMOAXYGQNFPD-ZCXUNETKSA-N 432.431 2.351 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1494914507 SREBDIFOTDYVEY-DFFLPILJSA-N 426.521 2.114 30 10 IEEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2CC2CCN(C(C)=O)CC2)CCOC1 1502659798 DPPSOTDNNFJKED-QHCPKHFHSA-N 444.580 2.319 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1504379607 RAURBDDJMGRMCE-INIZCTEOSA-N 437.504 2.072 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507595347 OKVUGYOIIMAFEL-QFIPXVFZSA-N 425.489 2.310 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507624656 CTMBIQIUVHJHGO-HKUYNNGSSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507627548 DOJUTBQXIYDWLJ-OAQYLSRUSA-N 441.601 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)SC 1507654310 YRUSWPVBZAEFRS-DLBZAZTESA-N 433.578 2.411 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1507690695 VHGNXKDKXBUBMI-ZWKOTPCHSA-N 446.573 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1507739405 HHVSKHVZOUGMJS-IBGZPJMESA-N 426.609 2.317 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1507970404 MJAVAVWIDLNOHW-AVRDEDQJSA-N 430.553 2.342 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1508075001 ODFWNKXILYQBBX-WMLDXEAASA-N 430.896 2.102 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1509945998 FHTPVZNEMDPUIX-SZNDQCEHSA-N 441.561 2.019 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1517106850 AKRXBZHNHHVXSE-WEACTYFJSA-N 447.499 2.164 30 10 IEEE COc1ccc(CCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1518195448 AIMBIBXRRXVXLC-WMZOPIPTSA-N 431.562 2.245 30 10 IEEE COCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518963689 FFPKNVDLERPWTB-UGTOYMOASA-N 425.533 2.313 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCSCCCO)CCO1 1521138125 ZACIWRBDAYGHBG-QGZVFWFLSA-N 437.953 2.355 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CSC[C@@H]3C(=O)N3CCCC3)CC2=O)cc1Cl 1530202295 CTGYTPBNCBGQDO-WMLDXEAASA-N 432.933 2.088 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(-n2cncn2)nc1 1539284054 FXFHTUZRQCRTLK-TZIWHRDSSA-N 444.543 2.294 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539362270 VMKDCPGBNNCNHN-CALCHBBNSA-N 442.564 2.353 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1539408822 DPJLELXGJIASLO-UHFFFAOYSA-N 441.557 2.480 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@@H]1C(C)C 1539409295 VTBBSQUKTXJIRK-OXQOHEQNSA-N 429.521 2.153 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@](C)(O)c2cc(C)oc2C)n1 1539424909 YDYFETZEYWHVPP-JOCHJYFZSA-N 426.521 2.187 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1539538992 NTQYSMVPCNKHNQ-IIBYNOLFSA-N 446.577 2.111 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539722331 DVPJZEZDBFFTIO-BRWVUGGUSA-N 425.599 2.291 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1541292572 GQRYHVFWOHNMLC-NRFANRHFSA-N 431.562 2.237 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1543118994 PEMMXLQQHXSINX-FPOVZHCZSA-N 435.446 2.259 30 10 IEEE N#Cc1ccc(NCCNC(=O)c2cc(F)cc(I)c2N)nc1 1543450694 ZCYDWYGTOBAYTQ-UHFFFAOYSA-N 425.205 2.121 30 10 IEEE COc1nc(N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)ncc1Br 1545186781 MMSJXTVPISLWGC-DAXSKMNVSA-N 449.280 2.318 30 10 IEEE CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1547457327 WQXWCWNFMIMVNW-VZCXRCSSSA-N 440.504 2.335 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC[C@@H]1C 1555188486 RTCYIIYRJFPSJD-FXAWDEMLSA-N 436.520 2.272 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC1(O)CCOCC1 1555546510 YDLMSDOUKZMQCC-HXUWFJFHSA-N 441.532 2.196 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1555700627 SLXRMHOIQFWRGK-JOCHJYFZSA-N 443.573 2.317 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O 1556564526 QWVRETPGWBAOIP-YJBOKZPZSA-N 440.591 2.158 30 10 IEEE C#CCN(C(=O)CN1CCN(c2ccccn2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370879 USDZMSMHOPTYLX-UHFFFAOYSA-N 441.576 2.065 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1559843490 FTTBDOXATOYFHZ-QYSRSOONSA-N 425.938 2.315 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N(CC)CC)CC1)c1ccc(Br)cc1 1565000360 WTLLERLOHKOPJE-GOSISDBHSA-N 435.366 2.319 30 10 IEEE C#CCC1(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 1565335403 XBJWKNOJWYGMDL-QGZVFWFLSA-N 441.594 2.436 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@@](C)(C#N)C1)n2C 1586807619 DNDZFRWAACQSNZ-NRFANRHFSA-N 431.562 2.299 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1587989737 OAHSGPCBCSPGCW-VQTJNVASSA-N 427.574 2.087 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1588050817 VJBQNVMTNDWIMY-OAQYLSRUSA-N 441.601 2.282 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593770350 ZMAFYWGDJDXVKP-XMSQKQJNSA-N 436.553 2.301 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1594961307 AJTDRKDRAHJBPJ-GOSISDBHSA-N 437.541 2.005 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595411302 DSESWQMYUMQYPI-KKSFZXQISA-N 444.530 2.322 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CCC1CCOCC1 1595797388 FKNVORCCEQPKAN-SFHVURJKSA-N 426.583 2.026 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCC2(CCOCC2)C1 1595811902 GKHVXXFKCZCHMC-UHFFFAOYSA-N 445.589 2.262 30 10 IEEE Cc1nc(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)ccc1C#N 1596661199 LGUQHOLIMYEQAZ-INIZCTEOSA-N 428.489 2.324 30 10 IEEE C#Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)c(Cl)c1 1598568579 WFCBZTPJQFGIHW-LJQANCHMSA-N 447.944 2.489 30 10 IEEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCNS(C)(=O)=O)c2ccccc2n1 1611933740 NHJJAUCYHXNNAB-OAHLLOKOSA-N 441.561 2.337 30 10 IEEE COc1ccc(OCCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1619325344 ZKVOBNHYSUJSKD-NRFANRHFSA-N 434.500 2.470 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ncccc2F)CCO1 1620355508 UYBJMAFEQXJFCF-CQSZACIVSA-N 429.843 2.335 30 10 IEEE NC(=O)[C@](O)(CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1620633716 YVMPQVYTEQRIOG-LOWVWBTDSA-N 432.311 2.462 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)cc1 1622151761 GRXFANMOUKARRL-UHFFFAOYSA-N 440.518 2.468 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1623745211 CPRYXMWZGACBTK-QHCPKHFHSA-N 433.512 2.038 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c1 1625734456 BUWRIEZDGGPYNH-UHFFFAOYSA-N 436.436 2.479 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1630276654 OQLIOKFALXUKLV-BTYIYWSLSA-N 425.526 2.342 30 10 IEEE C#CCN(CC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 1631325199 CJBYTPHLTXYNNO-HNNXBMFYSA-N 430.423 2.432 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1633175320 AGZLFMQMEIJVOK-KBAYOESNSA-N 444.391 2.486 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)O)cc1 1638247957 AYGSTCWZACHOQD-LPTQZCDUSA-N 427.526 2.088 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 1638380564 PDENLXZKEBUZJD-WOJBJXKFSA-N 430.549 2.457 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1639813904 AZNCFDWHUJWRNB-MRXNPFEDSA-N 444.557 2.107 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 1644568487 GNEBQQZIVDQPGP-KDOFPFPSSA-N 429.546 2.084 30 10 IEEE C[C@@]1(C2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)COC(=O)N1 1644859461 ABJJSOAZHMFLRD-FQEVSTJZSA-N 447.333 2.494 30 10 IEEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1646221751 IYINVCIDABUNFC-BNGSBABLSA-N 437.521 2.166 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)(C(F)(F)F)CC2)c1 1657225480 FIJLXLOSDZRTAO-UHFFFAOYSA-N 448.463 2.499 30 10 IEEE Cc1nsc(N2CCN(S(=O)(=O)c3ccnn3CCc3ccccc3)CC2)c1C#N 1662265398 CDMRNRXPMFDRAM-UHFFFAOYSA-N 442.570 2.273 30 10 IEEE N#Cc1cn(CCNC(=O)Nc2nc3c(Br)cccc3s2)c(=O)nc1O 1671130410 GYOQRIMSUUDPQZ-UHFFFAOYSA-N 435.263 2.014 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](CCC)OC 1689835980 WRDAALGOUFQLME-WMZOPIPTSA-N 433.578 2.468 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@@](C)=O)cc1 1689868329 CUCGGDBVWKKEFO-KKSXIIDLSA-N 430.574 2.387 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689904181 NOWITMDFCDLNIT-IBGZPJMESA-N 432.546 2.293 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1689979493 CHRSKXLVPDPIIQ-ZWKOTPCHSA-N 444.605 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1690054545 BDDUAHASAQAQLG-UHFFFAOYSA-N 426.937 2.259 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCCOC)C1 1690225462 AADSTGJOUWTWMK-OAHLLOKOSA-N 425.331 2.219 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O 1690525675 NHOZZVXNZXWVRH-QFIPXVFZSA-N 432.569 2.493 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1)C1CC1 1690544795 BDLLPTAMTPZFOX-IBGZPJMESA-N 429.590 2.467 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690663902 HWMPZAKSPBZCRI-HXUWFJFHSA-N 434.903 2.002 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1690672530 VKBNXMYTIJTSFK-KRWDZBQOSA-N 444.584 2.168 30 10 IEEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1691530282 OQWFNROOCDGJIA-UXHICEINSA-N 438.532 2.351 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1698274060 NMRSHJOEVRYXBK-MOPGFXCFSA-N 446.502 2.398 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 1698313261 GBNBCGATNWBPLP-SAABIXHNSA-N 446.552 2.473 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCCO2)CCO1 1698493610 NGLRMZDGAGKBCT-SJORKVTESA-N 432.912 2.308 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CN(C2CC2)C1=O 1705578179 JBFVUHQPXZAUMM-XMMPIXPASA-N 433.512 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1705595687 BVVXDPQAIFGEEL-LJQANCHMSA-N 443.555 2.139 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1705640977 LYQXCPPDOJPPRZ-UHFFFAOYSA-N 444.587 2.309 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1705675490 QGNVCUZZXKEWDL-HSZRJFAPSA-N 433.516 2.023 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705676448 BQNUAXUSEBNBPE-OXQOHEQNSA-N 438.498 2.277 30 10 IEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705732260 UDHMGHIELOSKNL-NRFANRHFSA-N 427.549 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1705895736 QMPCGWZUBDVTNO-GOSISDBHSA-N 447.543 2.209 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705906745 NNWUOHSZUWSBCX-XUVXKRRUSA-N 439.560 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CCC2)C1 1705929393 PTBZJMUPRAYYBH-JJCDCTGGSA-N 432.594 2.222 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1706074697 CMQXSYJFOQZGCU-DBXWQHBBSA-N 434.610 2.323 30 10 IEEE Cc1nc(Cc2nnc(N(C)CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1707744929 HYKZBXWZRHPZKI-HNENSFHCSA-N 429.550 2.252 30 10 IEEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1711192944 XRCJPXNCABSQCS-IBGZPJMESA-N 431.562 2.383 30 10 IEEE COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1712424824 QXRVFDQKYALQFO-VSKRKVRLSA-N 438.576 2.494 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722374593 YANLKMMWQMMBSY-FDDCHVKYSA-N 445.564 2.258 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722419277 VTLBRYUUSNDEPT-XXBNENTESA-N 430.597 2.111 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(=C)C)CC1 1722445052 KAYHGAHTUUUBRT-UHFFFAOYSA-N 432.528 2.375 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN2CCC)CC1 1722446171 PWRDZSAIKBPNMJ-FQEVSTJZSA-N 437.592 2.124 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1722695899 TZHMADWOZLRGSN-UHFFFAOYSA-N 446.914 2.146 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1722738661 NEWKMGSNCODYHJ-QFBILLFUSA-N 426.608 2.106 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)cs1 1725300037 NZRVWTCTEGFAOI-UHFFFAOYSA-N 427.456 2.052 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CCO1 1727835075 IALVKJCZDQTSTA-QKNQBKEWSA-N 441.532 2.395 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)cc1OC 1730072079 FFTHXAMUNYLDOA-FQEVSTJZSA-N 426.456 2.074 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1740534611 INHASDZUJDOGNN-WZONZLPQSA-N 435.532 2.406 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1740622380 CBNSXCOKNHWUKR-LJQANCHMSA-N 444.605 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@](C)(O)CCOC 1740644640 NUIGGGVPMJZDII-DEOSSOPVSA-N 437.544 2.398 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1740665577 IKPOOLCSUHFYPP-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSc2ccccc2)CC1 1740692298 IIAMHCRGECKYBN-HSZRJFAPSA-N 441.601 2.478 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)NC)CC1 1740715586 KPEHOSSEQXMXFQ-UHFFFAOYSA-N 449.584 2.460 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2oncc2C1 1740953209 YPTMHDBTRSUJBQ-AWEZNQCLSA-N 426.452 2.410 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)(C)C 1740989032 YBNFCVDNXPBWRT-UHFFFAOYSA-N 444.565 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCSC2)C1 1740993337 YDBZYKASXWFLQR-FQEVSTJZSA-N 433.603 2.198 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1741134458 BCLFFHVSGCBQIL-AWEZNQCLSA-N 437.529 2.013 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCN(C)C)cc1 1748638635 SOWTZCZICYXKLC-SFHVURJKSA-N 447.543 2.372 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1748817661 NTVGMSPLYBWSDK-QZTJIDSGSA-N 448.976 2.419 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1748821300 OMOWYEJBZFCDIH-FQEVSTJZSA-N 444.605 2.302 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1748902593 PODCLOWUORQQRK-MOPGFXCFSA-N 443.548 2.228 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749047992 GARIEZSCPLOCCX-OAQYLSRUSA-N 429.521 2.222 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749048851 WOHMITNBRWSSFG-SJORKVTESA-N 432.477 2.477 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1749159746 XUHBZORDDGEBKU-DLBZAZTESA-N 443.614 2.075 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C)C1 1749449456 OZDNEAYNGMDFPW-INIZCTEOSA-N 426.550 2.455 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1749471560 QJEHUCQTROOINH-UHFFFAOYSA-N 427.477 2.204 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCO1 1749650133 KXAYPMCRUOOSAU-GOSISDBHSA-N 426.521 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)[C@@H](C)CC 1760197107 QFXRPPQARMZTIW-SFHVURJKSA-N 427.574 2.152 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760257029 ZAPGLSNEHCHWEN-UYAOXDASSA-N 439.560 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)cc2F)CC1 1760271749 KDWNMGCTXUPGJX-UHFFFAOYSA-N 425.508 2.392 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760285174 ZDJISPAGOXKHQW-IBGZPJMESA-N 447.630 2.062 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1760297564 ZTXZGLOHEKDIBY-JOCHJYFZSA-N 440.573 2.165 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1ccnc1C 1760461444 TXUYJMWUWKDARU-UHFFFAOYSA-N 428.566 2.456 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Cn2cccn2)C1 1760533045 APAVSDWZGABHPI-OAQYLSRUSA-N 449.559 2.491 30 10 IEEE CC(C)NC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1761260643 DYFUVTJIKSXSAH-NRFANRHFSA-N 445.527 2.238 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1763272485 ADOBQQZAWKVLGN-DGGJZMOXSA-N 441.532 2.272 30 10 IEEE CC[C@H](C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)OC 1763436647 HBJBZLYLTJSLLD-UXLLHSPISA-N 426.587 2.079 30 10 IEEE CCc1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)s1 1764585008 BZNKZZLSVOCBQD-OAHLLOKOSA-N 434.591 2.377 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1767185394 CRUMYHXNZZQTHH-UHFFFAOYSA-N 440.548 2.100 30 10 IEEE COCc1nocc1Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1769393074 BGJISPMMKTZRPT-UHFFFAOYSA-N 436.520 2.352 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCC(S(=O)(=O)Cc4ccccc4)CC3)cnc2c1C#N 1852902300 HJCUNBYQQIUAEA-UHFFFAOYSA-N 437.525 2.437 30 10 IEEE C=CCN([C@H]1CCN(C(=O)c2ccc3nc(CC)sc3c2)C1=O)[C@@H]1CCN(C)C1=O 1854179238 OBFUNZPWMWVXJA-SJORKVTESA-N 426.542 2.319 30 10 IEEE C[C@@H]1C(=O)N(C(=O)C2CC3(C2)CC(F)(F)C3)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635941 PZAKHOIRAUHPQK-CYBMUJFWSA-N 437.468 2.132 30 10 IEEE COc1ccc2nc(N3CC(C(=O)N4CCN(CCC#N)C(C)(C)C4=O)C3)sc2c1 1855896814 UWUVQFXXTLRNOY-UHFFFAOYSA-N 427.530 2.104 30 10 IEEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN([C@H](C)CCC#N)[C@H](C)C2=O)cc1 1856281507 BFAHHPPDUAYSAI-IAGOWNOFSA-N 435.546 2.001 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C(=O)O2)CC1 1856611577 GMSVGEFVMWLXIB-OAHLLOKOSA-N 445.419 2.232 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)C3(CCCC3)C2=O)cc1 1856646697 XDTZTCUQTGRPHT-UHFFFAOYSA-N 443.447 2.438 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1890180461 MKKJYUINJRWGII-GOSISDBHSA-N 438.557 2.237 30 10 IEEE CCn1cc(C(=O)N2CCC(COc3nccnc3C#N)CC2)c(=O)c2ccc(C)nc21 1891799205 QYTRWETZXQHXHE-UHFFFAOYSA-N 432.484 2.318 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060638395 WNMQSAJIICZOKS-DLBZAZTESA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2247776806 DTKBAVQZNUSEQO-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCN1C(=O)OC(C)(C)C 2255696950 BFMJEBSHSBPYPB-ZBFHGGJFSA-N 433.358 2.452 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256914157 VHHOZDVXLQKSDB-CZUORRHYSA-N 446.334 2.231 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258225880 LRGSQWDBLHQHDG-NSHDSACASA-N 447.288 2.116 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2267092211 MPNLBUZIMUHRCP-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267093935 ZJNQDTXPSYIMFO-CABCVRRESA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CCC[C@@H]12 2267096944 MDVWJXNRYLEEHB-IVZQSRNASA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CCC[C@@H]12 2267096947 MDVWJXNRYLEEHB-QRQCRPRQSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)(C2)C1 2267142783 ZAHPMYKQNQVQAJ-RCDICMHDSA-N 446.357 2.228 30 10 IEEE Cc1ccnc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267155856 ZRVMMKGEKJKMBV-HUUCEWRRSA-N 443.353 2.284 30 10 IEEE CCn1cc(C(=O)N(C)CC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185259 SJWREWGEQKTRPC-UHFFFAOYSA-N 448.373 2.141 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267188938 SUSPPKGKELPZCC-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE Cc1ccc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267228264 HTWWAPVUOVXOQC-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)nc1B1OC(C)(C)C(C)(C)O1 2267499859 ZVQCOFBVXXLSJS-HNNXBMFYSA-N 448.373 2.143 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)n1 2267525769 JFUQLNPQEJHEQZ-UUOWRZLLSA-N 436.365 2.207 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267551846 OSHMWFQVLZCYMJ-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE COC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCN(C(=O)OC(C)(C)C)C1 2267566322 XXUGGULTGMANCP-JOCHJYFZSA-N 449.357 2.070 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 2267605826 XYPBPTZGPMGHFD-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@H]12 2267696804 HPBCBGOXJMJIQO-HOTGVXAUSA-N 444.337 2.287 30 10 IEEE C[C@@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268631885 DMKITVUPWCRWDY-MRXNPFEDSA-N 448.369 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268725178 SIFAMPSFQTUFHW-HNNXBMFYSA-N 447.341 2.203 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1C[C@@H]2CCC[C@H](C1)C2=NO 2285896562 HCSKVNFOEDPYNM-XYPWUTKMSA-N 433.530 2.391 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339997 MKZWICACDQJZOU-QWHCGFSZSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2301388974 CYRJHRAMRPQPDZ-UHFFFAOYSA-N 439.749 2.428 30 10 IEEE C/C(=N\OCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N(C)C)cc1 9170506 RHPNOULXRZBPEF-HZHRSRAPSA-N 447.513 2.478 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 24379525 OZPYKPYXDNXELE-HNAYVOBHSA-N 448.495 2.041 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 39915184 VUSFRXWUJWSQAP-AWEZNQCLSA-N 428.557 2.349 30 10 IEEE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1ccc(C#N)cc1 248227676 JTNJGJCSZCKMEQ-PDFGSZSQSA-N 447.491 2.376 30 10 IEEE COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C)c2)cc1 254881106 DLWUGPQSWPMFJT-UHFFFAOYSA-N 432.484 2.245 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)ccc1F 303824702 GEBBANAIDGKSIZ-UHFFFAOYSA-N 430.505 2.105 30 10 IEEE COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 433766060 NJKHSPPBAYZJSZ-UHFFFAOYSA-N 448.892 2.025 30 10 IEEE COc1cc(N2C[C@@H](C(=O)NCCOc3ccc(C#N)cc3)CC2=O)cc(OC)c1OC 460275552 GYZKMJPEZVROPS-INIZCTEOSA-N 439.468 2.132 30 10 IEEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1Nc1c(C)n[nH]c1C 460936207 LUBBWRXPPXGMMP-UHFFFAOYSA-N 434.548 2.896 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cn1 461754924 JOTLNEBCDMKUPA-UHFFFAOYSA-N 436.497 2.151 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)cc1S(=O)(=O)NCC#N 477991866 MLRPPTULZWPQHQ-VQTJNVASSA-N 435.509 2.269 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 479911454 AAHSSPHBPZGFDK-INIZCTEOSA-N 434.475 2.328 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 481521127 SGTJBLNBTZOLMR-KDOFPFPSSA-N 427.482 2.317 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccnc(C#N)c1 483116096 DZXARPPWMBFECG-UHFFFAOYSA-N 430.486 2.014 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 502630550 AYXIKYUHDFPBIN-JOCHJYFZSA-N 430.505 2.157 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@]34[C@@H]5[C@H]6C(=O)[C@H]3[C@@H]3[C@@H]6C[C@@H]5[C@@H]34)c(C#N)c2N)cc1 503018263 NIDCUVPZCDNBCR-JYAUDTRFSA-N 427.508 2.010 30 10 IEEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508824332 HJJHYAJHFZSSLK-UHFFFAOYSA-N 429.496 2.474 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H](OC)C1 508848296 YDPFKUGDNVRQPX-FPOVZHCZSA-N 438.576 2.283 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 509207610 BPYNNDPSCGFYAE-RDJZCZTQSA-N 430.534 2.320 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2)c1=O 523745114 NOVHMHSEVURCCQ-UHFFFAOYSA-N 434.517 2.341 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccccc3)c2=O)n1 531909478 AHJVMYIAPPGAHV-UHFFFAOYSA-N 433.533 2.480 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN([C@@H](C#N)c3ccccc3)CC1)CC2 552799957 JFUYUTHLKATTEH-QFIPXVFZSA-N 434.540 2.471 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 553682408 GDSYZUJRAYCUMX-IRXDYDNUSA-N 434.496 2.244 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 575611324 DEDDFOCFURXACC-UHFFFAOYSA-N 431.562 2.068 30 10 IEEE CCCOCCOC(=O)C[S@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 586297922 AMCVLAVHOXALRK-CFJPQMKISA-N 426.560 2.402 30 10 IEEE CCOc1ccccc1CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H](C)C1 586862484 YHTBIKQATAUFFU-QGZVFWFLSA-N 438.503 2.445 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(C[C@@H]3CCCO3)c2=O)cs1 588152305 NMOAICPBNVKWQM-HIFRSBDPSA-N 431.583 2.226 30 10 IEEE CC[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1OCC(=O)NC 604127873 JMSNGRSHJFNFMK-LJQANCHMSA-N 436.516 2.061 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 612894877 VFGPCBJAYQADQV-SFHVURJKSA-N 438.509 2.393 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccccc2-n2cccn2)cn1 726111257 JNGNHYXBECTVPX-SFHVURJKSA-N 437.529 2.357 30 10 IEEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730708440 FTNRNVYQUWZUIM-GDBMZVCRSA-N 440.529 2.270 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 731888896 KZBRNCDWJNEOIU-XXHUCKDWSA-N 436.512 2.103 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1C1CC1 772300775 SDXRAWFHMOBFQA-UHFFFAOYSA-N 444.354 2.121 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CC(C)C 772898694 PUVAIXVRRQIOKY-UHFFFAOYSA-N 432.615 2.250 30 10 IEEE Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n21 780176125 GHNZIHLNLWYXOV-QFIPXVFZSA-N 439.472 2.195 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)cc1 780892513 HRUSLESFJHGFLQ-OAQYLSRUSA-N 426.448 2.030 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780917572 JZJWQHSKQDDZJY-NRFANRHFSA-N 427.526 2.170 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(Cc3ccccc3)c2=O)cn1 781655466 QQUGBNBXJAXXML-UHFFFAOYSA-N 432.549 2.437 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 783011380 ODGFXAXTTNNOER-KRWDZBQOSA-N 425.938 2.398 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2sc(S(N)(=O)=O)cc2C)C1=O 793985548 CVZSRJOMKWXHNU-KRWDZBQOSA-N 430.552 2.020 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2(C(F)(F)F)CC2)C1=O 795181936 DGZUCQUXIWUCJA-LBPRGKRZSA-N 428.436 2.196 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(Br)ccc1O 804733375 PTAAHMGKLQWCQC-LLVKDONJSA-N 438.303 2.010 30 10 IEEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccsc2)n1 807940647 XDRCSENMYHFTNQ-LLVKDONJSA-N 432.453 2.077 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@H](OCC)[C@H]3n3cccn3)ccc2c1=O 819391430 JMSSGAVFQAUEMQ-SQNIBIBYSA-N 425.514 2.216 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 916723335 YNLAKWZMLOFHOF-VGLIXDPASA-N 436.534 2.306 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)c(C)c1 1084066127 ZCEYNOITYRSQCA-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(O)cc2)n1 1084166297 NIIXGAZBAGNCKN-UHFFFAOYSA-N 426.458 2.474 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)cc1 1084601363 ZZXIKCXHXYZDPG-UHFFFAOYSA-N 442.501 2.122 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 1136768901 SLSJWZQRLQCMAK-GFCCVEGCSA-N 440.363 2.181 30 10 IEEE C[C@@]1(c2ccc(NC(=O)COc3cccc(Br)c3C#N)cc2)NC(=O)NC1=O 1141628291 QUZGKTOIXYLUNP-IBGZPJMESA-N 443.257 2.393 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1 1171919532 AGELCCLQHAQBSL-UHFFFAOYSA-N 445.497 2.475 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)ccc2c1=O 1184167064 MITCSIZIGJPCET-GOSISDBHSA-N 440.447 2.154 30 10 IEEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 1190993790 CTSGZUCJDYQQGJ-FPOVZHCZSA-N 429.561 2.232 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)C1=O 1270492998 CQFIMWBPWVWQLQ-RBUKOAKNSA-N 431.533 2.376 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1286381542 NBYBOKLKEQCIAC-LJQANCHMSA-N 441.557 2.184 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286508627 JQTOUEBNBLBAGA-QGZVFWFLSA-N 432.619 2.236 30 10 IEEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286713233 VYMSSOHWBMXAAM-SFHVURJKSA-N 433.940 2.066 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1288526278 ULAZTHMZBFZHPU-NXHRZFHOSA-N 428.562 2.434 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(CC(C)C)C2)n1 1290645893 DISJJEKDQQXGPQ-NHCUHLMSSA-N 440.596 2.237 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)N2CCOCC2)c1 1299935840 HQBNAVWPPBYHQT-QGZVFWFLSA-N 440.548 2.423 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1300276179 ITAZWWYPWBMBST-GFCCVEGCSA-N 440.367 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)N1CCOCC1 1300324142 AHVVSFSMMPKILH-GOSISDBHSA-N 427.549 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C(C)C)N1CCOCC1 1300439998 OLESUCJTMMEOGI-OAQYLSRUSA-N 427.549 2.389 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 1300483934 NEYRMNXZPMRZOY-OXJNMPFZSA-N 428.558 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300547173 HZGUNDITJNDUFA-CYFREDJKSA-N 436.512 2.277 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1300619331 WEOUBPMWPRVQDI-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300666247 YSVQIRKZLFQIIO-GOSISDBHSA-N 437.466 2.294 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(OC)CCCCC2)CC1 1300685235 JVCOBEWLSIXBLN-DEOSSOPVSA-N 445.608 2.423 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1300732542 BRWCWWOXTWEFOE-AWEZNQCLSA-N 439.632 2.269 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300888385 JJCQGXWUYFDHIF-KPFFTGBYSA-N 433.578 2.114 30 10 IEEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1301080413 SQZVKSFJVOPHKT-UHFFFAOYSA-N 447.421 2.429 30 10 IEEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301227428 RNUBGWWJUJSGAX-UHFFFAOYSA-N 430.578 2.471 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1 1301240930 IHUVJAQQAMDWMA-SFHVURJKSA-N 437.342 2.330 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1301515682 XTJWUIXYMNTZGZ-HZPDHXFCSA-N 431.562 2.498 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301609764 NVJIPJDNDUMPBX-INIZCTEOSA-N 436.607 2.038 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC(F)F 1301956627 LNILBMKSOPUQIM-CYBMUJFWSA-N 427.477 2.226 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)C2)c(=O)nc1O 1312674135 CEWAZHSXODGFNB-MRXNPFEDSA-N 449.389 2.437 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)CC1=O 1316114230 CXRASKMSYIAUNH-FQEVSTJZSA-N 447.543 2.442 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC(F)(F)F)CCN1C1CC1 1316541393 XYZFPGQJZGNXBN-QGZVFWFLSA-N 435.454 2.367 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1 1352683460 XFFBYYMIGBQPJQ-NPBUNYCVSA-N 431.477 2.488 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1358932257 DYHFNIPNMRPBST-SJLPKXTDSA-N 444.605 2.415 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCCC)nc2)CC1 1359038282 QCKDOHJELCSGCL-UHFFFAOYSA-N 448.575 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC)CC1 1359043201 LIAJQUAKGWQFRK-UHFFFAOYSA-N 445.527 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(F)CCC2)CC1 1359048606 WNDPSWRNVCQSOU-OALUTQOASA-N 447.555 2.250 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCOCC(F)(F)C(F)F 1359073388 NTSGHMFTCHORNV-GOSISDBHSA-N 431.434 2.310 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1359144348 FVHMSAPXFQJRBH-AWEZNQCLSA-N 425.942 2.173 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1359298363 XDXXOYYHPFMGRE-UHFFFAOYSA-N 436.476 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359330841 FDHLHPHURUMOCT-NRFANRHFSA-N 445.520 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1359331946 LBNRWYFPDHJJQU-OALUTQOASA-N 437.610 2.185 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1359469716 JUBBLTHHFUMKID-INIZCTEOSA-N 426.521 2.474 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1454680804 CHSZIBGUUWKUHH-UHFFFAOYSA-N 425.510 2.458 30 10 IEEE CC1(C)OB(C2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)OC1(C)C 1455327536 ODIFOTGRLFYOPZ-STQMWFEESA-N 425.278 2.294 30 10 IEEE C[C@@]1(NC(=O)C(F)(F)F)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1460667297 RBHRPIIBOYLXIC-QGZVFWFLSA-N 435.368 2.316 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 1462102132 BGXSUQNMOAEODG-IFMALSPDSA-N 434.544 2.329 30 10 IEEE CC#CC[C@H](CO)NS(=O)(=O)c1c(Br)cc(F)cc1Br 1464016497 QNSGUWUXAOKQRT-SECBINFHSA-N 429.105 2.403 30 10 IEEE CC(C)(C#N)CNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1466791836 ANNLHEGOBICPCR-UHFFFAOYSA-N 441.326 2.415 30 10 IEEE CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 1468539797 VVHXENVYMHMYIJ-UHFFFAOYSA-N 428.836 2.436 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1468558506 UJAAMQMSFNYMOH-ZENTWMBTSA-N 448.519 2.261 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1470446095 KVXNFVVEUIOLOV-UHFFFAOYSA-N 432.528 2.428 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)CC1 1471051704 UQEKCACJVOQLHX-AEFFLSMTSA-N 434.518 2.455 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 1476010850 FPRZRNFEBKLIDV-FPOCJBQTSA-N 445.589 2.499 30 10 IEEE CN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503499492 MKWQWFOXTBJNJG-LZICOFPGSA-N 442.545 2.396 30 10 IEEE COc1ccccc1N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1504424878 XKXVYZDZNXSSJA-UHFFFAOYSA-N 449.515 2.264 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1504848870 CRGGLVSSWVVRNJ-UHFFFAOYSA-N 444.499 2.440 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC2CCOCC2)c1 1505313942 MIBNMPDXXJETSI-UHFFFAOYSA-N 438.532 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CN(CC(C)C)CCO1 1507537698 NKYNPYFDOOIVSH-CTNGQTDRSA-N 435.576 2.331 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCC#C)CC1 1507563538 XNICYQVNVZTLSS-UHFFFAOYSA-N 433.512 2.443 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC=CO1 1507654091 VNQQASBMEYOPQM-RBUKOAKNSA-N 441.532 2.352 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCOCC1 1507713746 WANVALRQCKNCCQ-UHFFFAOYSA-N 431.562 2.172 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)[C@@H](C)CC)CC1 1507732970 VZOGGNOSDRUARV-FQEVSTJZSA-N 435.576 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2CC)CC1 1507738069 JDQBAIDGGLDVDG-UHFFFAOYSA-N 429.528 2.312 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1507739008 KOPWGKRMUSVAFH-DNVFCKCGSA-N 429.565 2.096 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507903258 KEVKAPSMJXPLJY-SFHVURJKSA-N 431.562 2.141 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507965182 KGPNGBQZYHATKO-QGZVFWFLSA-N 448.568 2.097 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)C)CC1 1508093500 VFBRIYCCOIWJJO-UHFFFAOYSA-N 426.565 2.307 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1509787534 BHFHWWCJNZBTIS-MBOZVWFJSA-N 439.582 2.024 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1509787536 BHFHWWCJNZBTIS-SQGPQFPESA-N 439.582 2.024 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C(N)=O)nc1 1509944587 AJJDXXRHZVNFEW-CYBMUJFWSA-N 425.443 2.428 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CC2(S(C)(=O)=O)CCC2)n1 1511692217 BQKYWNLVKSLIHM-UHFFFAOYSA-N 445.593 2.237 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCS1 1512495858 CAWMVJCBQPNRLZ-INIZCTEOSA-N 429.546 2.212 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CCS1 1514139159 LHMPGWOXWUEQTJ-GOSISDBHSA-N 448.618 2.478 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCOC(F)F)CC2)nc1 1521102412 WREOLEZJOHPNFR-KRWDZBQOSA-N 447.490 2.395 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ncc4c(c3C#N)COCC4)C2)cc1 1525912476 AKERGRBJOMCJKE-QGZVFWFLSA-N 440.525 2.374 30 10 IEEE N#CCc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 1529869678 BRAZIEXRUFKRFD-UHFFFAOYSA-N 433.917 2.357 30 10 IEEE Cn1nccc1[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)OC(C)(C)C 1531282278 USBUTJPXRLNWHQ-GOSISDBHSA-N 446.529 2.310 30 10 IEEE N#C[C@@]12CN(C(=O)COc3ccc4cc(Br)ccc4c3)C[C@H]1CS(=O)(=O)C2 1536179367 HYROBMBZSUXNSY-KXBFYZLASA-N 449.326 2.378 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1539210107 ASTRERSEDSSBDE-IBGZPJMESA-N 441.557 2.116 30 10 IEEE COc1ccc(C(=O)Oc2c(C)nn(CCC#N)c2C)cc1S(=O)(=O)N1CCCC1 1539274199 WMLIIHSIXGDUID-UHFFFAOYSA-N 432.502 2.426 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccn(C)n2)CC1 1539434727 UQSNBGWZCBPCOR-UHFFFAOYSA-N 441.486 2.278 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1539454317 LIXBGOVZGFSEIL-UHFFFAOYSA-N 425.533 2.060 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1540874414 GDGBBQPHLKHVOU-JOCHJYFZSA-N 429.569 2.083 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541478287 ZQUQPBPHYKGYON-NRTINQSCSA-N 430.553 2.254 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1541969666 WKBIZMZTNWHSPN-FFZOFVMBSA-N 445.495 2.482 30 10 IEEE N#C[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1ccc(OC(F)(F)F)cc1 1545142707 XLGUUXQHYCBZPX-HNNXBMFYSA-N 446.382 2.165 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)C[C@H](C)C#N)C1 1547169933 GBOCDFZFYMHAIT-MSOLQXFVSA-N 434.552 2.249 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](F)(C#N)C1 1555816652 QBTHLFYAINQZSS-QGZVFWFLSA-N 444.895 2.119 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1555917166 GIPRRWJYKSVUMZ-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1555943371 KOBYYPFQGOZSSQ-IVMMDQJWSA-N 435.326 2.200 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 1561155067 TWBSMENADFSVSV-IAGOWNOFSA-N 448.404 2.311 30 10 IEEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)ccc1Cl 1561510303 HBQXUZSATALVDC-UHFFFAOYSA-N 439.946 2.385 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)ccc1C(=O)OC 1561725447 XVQGWUGQNBWWDU-UHFFFAOYSA-N 446.319 2.201 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 1562929459 VBBXTGOJDUQMRF-QWRGUYRKSA-N 428.283 2.202 30 10 IEEE COc1cc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c(Br)cc1O 1565024741 JREVBIFQMWBJRJ-UHFFFAOYSA-N 446.305 2.462 30 10 IEEE N#Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)[nH]c2ccccc12 1567229267 GCYWXAKTXROFKA-UHFFFAOYSA-N 426.454 2.018 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)nc1 1587574147 CETDNZYUUOQNDS-LLVKDONJSA-N 428.294 2.036 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(=O)NC)C1 1587712198 PFDNMXLTKHYXIB-FQEVSTJZSA-N 433.516 2.090 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588049174 BGZOBJRTUTXTBD-MOPGFXCFSA-N 444.605 2.020 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1589060202 OKJRJIIMRADMPX-SFHVURJKSA-N 440.573 2.347 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1589636901 LIHXGSTVSNWTKR-QFIPXVFZSA-N 443.573 2.389 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCCNC2=O)CC1 1594820202 XDTAZIIXFTWVHG-UHFFFAOYSA-N 439.564 2.241 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O)C1CC1 1595020205 ALEMBEMOOYUONU-UHFFFAOYSA-N 437.953 2.061 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595506639 HSHJUEDZPJWBOI-SZNDQCEHSA-N 449.914 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(c2ccnn2C)CC1 1595523551 YIWZFYDZQQUUMY-UHFFFAOYSA-N 435.532 2.373 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H](C#N)c3cccc(Br)c3)cc2=O)n1 1596286171 KEMSQSXHQUFAGT-HNNXBMFYSA-N 427.262 2.330 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CC1 1615888542 DKUJUVYEMMRREO-UHFFFAOYSA-N 447.591 2.177 30 10 IEEE N#CCCN(Cc1ccccn1)C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1616428041 CKGXCYCXENRSIA-UHFFFAOYSA-N 426.420 2.321 30 10 IEEE CN(C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 1617555454 DBMXZYIISAVKMQ-HSZRJFAPSA-N 441.580 2.322 30 10 IEEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 1618337093 WWFSBELWZISZTK-IERDGZPVSA-N 445.516 2.142 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CC1 1618665194 FUGBUTDARQKQLE-UHFFFAOYSA-N 431.500 2.231 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 1623494152 BLTPABCODMRUTI-HXUWFJFHSA-N 444.463 2.285 30 10 IEEE C=CC1(CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CN(C(=O)OC(C)(C)C)C1 1624674285 KMSDTWGFQZNZPH-UHFFFAOYSA-N 425.507 2.094 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1632077509 CCWJWFABOOKLIF-HUUCEWRRSA-N 425.298 2.331 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC[C@H]1c1cccc(Br)c1 1632953833 SVBXFTLHNGNUAW-IJYGLTAASA-N 434.290 2.266 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)COC2CN(C(=O)OC(C)(C)C)C2)C1=O 1634477940 WWBOXBFUPYWMLU-NRFANRHFSA-N 440.541 2.325 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)nnc1-c1ccco1 1635139011 YTEUUZVQYMYVBH-ZDUSSCGKSA-N 429.506 2.436 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)cnn1CCC#N 1635291490 OEKCFTGQNVFFGR-UHFFFAOYSA-N 430.306 2.352 30 10 IEEE N#Cc1cccc(ONC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)c1 1635511198 VRUFRTRYBNZHOI-OAHLLOKOSA-N 435.527 2.269 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc(CC(N)=O)cc2)C1 1638222886 NVHPYGOXNDQTPE-UHFFFAOYSA-N 427.302 2.101 30 10 IEEE COc1cccc([C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2nccn2C)c1 1641561107 ZQPVXUBTSLLMMG-IBGZPJMESA-N 442.472 2.384 30 10 IEEE CNS(=O)(=O)N1CCC(C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)CC1 1644358005 DMBJNYKLNFEYAS-UHFFFAOYSA-N 429.502 2.169 30 10 IEEE C[C@@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C#N)CC1 1649570538 SZRNJYAZZDRANH-MRXNPFEDSA-N 425.493 2.314 30 10 IEEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)C1 1653407085 CXAFHFLGQFBALR-KRWDZBQOSA-N 430.553 2.263 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 1654363276 QQMLYYDSEWXNFR-QHCPKHFHSA-N 436.597 2.335 30 10 IEEE C=C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1658481041 YLNDMMPUDYQICB-OAQYLSRUSA-N 431.602 2.439 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 1667713489 DVSUIMAFYUGFKM-UHFFFAOYSA-N 444.598 2.349 30 10 IEEE C=CCc1cc(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(OC)c1OC 1676274483 BOSJQNHVASGADZ-UHFFFAOYSA-N 444.576 2.448 30 10 IEEE C#C[C@@H]1CCCN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1684482643 STLBCHWDMOZMLM-QGZVFWFLSA-N 449.573 2.159 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1687266022 SMDDWSPPXYIJTF-FQEVSTJZSA-N 445.564 2.337 30 10 IEEE C#CCN(c1nnc(C)n1CCC1=CCc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 1689981992 FPXUTXXAGXHSFH-LJQANCHMSA-N 426.542 2.252 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccsc1 1690101131 PCOQRQYQTLEDNR-OAQYLSRUSA-N 443.529 2.061 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1690301340 STTTVVJKJWZISU-KRWDZBQOSA-N 433.578 2.086 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@@]1(OCC)CCOC1 1690676693 ATRLVOONSGPNRC-JOCHJYFZSA-N 445.951 2.449 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOCC2(C)C)C1 1690709137 CKBAKGCLWWXEEK-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)C1 1690712052 MHIUYJSXNMASGZ-RXVVDRJESA-N 445.539 2.498 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691545669 FNVHSRNCUOWOPW-SIKLNZKXSA-N 439.520 2.437 30 10 IEEE CCCN(CC)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695319657 MUYFNRHVAXZOBB-QGZVFWFLSA-N 439.564 2.439 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)C(C)C 1697197208 ZTLBIYOTZOZSNX-FQEVSTJZSA-N 438.532 2.211 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705498695 ZKHDXKGDCXWSNR-SFHVURJKSA-N 432.528 2.237 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705629637 PCUWMLREKRGENB-HXUWFJFHSA-N 444.539 2.403 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705652934 SLKXKTLYMBIOSL-CQSZACIVSA-N 433.500 2.330 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705693057 BBWOMSMOPMMQKX-BDXSIMOUSA-N 430.553 2.246 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)COC)CC1 1705700041 OBVTVDDOTNMFOQ-DSKINZAPSA-N 447.580 2.232 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705729043 JDONLMKUDCRHPV-MSOLQXFVSA-N 426.521 2.381 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705734071 BZXDCJYHBYVQHA-SFHVURJKSA-N 445.531 2.310 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705734708 YIYLQQDEVKFJNR-SFHVURJKSA-N 427.553 2.448 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705834736 QQRMWZNWDQOJHV-CVEARBPZSA-N 437.541 2.461 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1705844107 WCQDHFCLJUGEHH-VQTJNVASSA-N 429.590 2.467 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN2CCOCC2)C1 1705926309 BDQMYBCPXACVLE-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@H](C(F)(F)F)O1 1708180652 AOLVVDIFSSPTLS-MLGOLLRUSA-N 432.410 2.150 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS1 1711236536 BDOWVBKESOEZCP-QGZVFWFLSA-N 435.575 2.105 30 10 IEEE COCCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1712377311 OTXLJXFUTKCODN-XDOYNYLZSA-N 449.515 2.426 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nncn1-c1ccccc1 1712529595 AVXTTWZCWNUSCO-IIBYNOLFSA-N 440.483 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)c(OC)c2)CC1 1722450740 PPQGIVNPXLMFDO-HXUWFJFHSA-N 437.544 2.461 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722452262 OILYYAZSBMLDLG-GFCCVEGCSA-N 437.367 2.069 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1722499804 FDVSNCIRFBPNSA-QFIPXVFZSA-N 435.569 2.003 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1722509257 MMHBREQPCVSGLI-NQIIRXRSSA-N 439.564 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)CC[C@H]1C 1722737076 SIEVGFQWERZQGR-BDXSIMOUSA-N 426.583 2.228 30 10 IEEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722742802 HOMNRKMDNPHJCQ-KRWDZBQOSA-N 428.562 2.299 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)OC 1727281842 QPBLQILKZHURDL-GCJKJVERSA-N 427.505 2.149 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2(C)C)CCO1 1729681706 LKDSVOAGQROQHR-ZWKOTPCHSA-N 440.573 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1740538527 HSQSTKZJEMZOFN-KRWDZBQOSA-N 443.573 2.209 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740623880 CFBLSGWQNXLUOT-ICSRJNTNSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1740646823 DFNOSFLTXXRKBL-XMSQKQJNSA-N 438.528 2.477 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2ccnn2C)CC1 1740954665 DJUKOWVYLIZZAK-UHFFFAOYSA-N 435.532 2.373 30 10 IEEE COc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC(F)F 1748810563 GMHKBACLNCDFPE-GJZGRUSLSA-N 435.431 2.169 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1749054329 RUCFQMSQIIXIHG-CKJXQJPGSA-N 449.552 2.487 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1749413417 UPPURHNATLCVNV-SFHVURJKSA-N 432.594 2.490 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C[C@H]1C 1749877998 CPFSDQRFWRENFV-HXUWFJFHSA-N 435.576 2.236 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1750377936 CNSCODOTZIDAQM-QKLQHJQFSA-N 435.887 2.492 30 10 IEEE CC(C)Cc1nnc(N2CC[C@]3(CCSC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750735232 CGBIDXPTRYYGRG-KCQYIYACSA-N 430.578 2.336 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC[C@H](F)C1 1750954772 YDJPWTCNXOBONL-BBRMVZONSA-N 427.484 2.089 30 10 IEEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(N3CCOCC3)CCSC2)n1 1751601935 HNIAYUHJPAGJDC-VGOFRKELSA-N 441.605 2.452 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760147629 CKOUQYBQWXDTDA-AWEZNQCLSA-N 433.310 2.100 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760155984 QGRNTBFWKZLLTO-UHFFFAOYSA-N 429.528 2.103 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)c(F)c1 1760161275 ZQEKWAUNIFZCIO-UHFFFAOYSA-N 442.539 2.290 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1760192474 JIIHHDGWWLQTOB-QZTJIDSGSA-N 438.594 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(SC)CCC2)CC1 1760269571 LTEYBFPNCDKTRI-GOSISDBHSA-N 431.606 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC=C(C(C)(C)C)CC1 1760521628 ZDVMZEVWKGWLIR-UHFFFAOYSA-N 426.521 2.491 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](COC)C1 1760528194 VGYILFZNRGZSAV-QGZVFWFLSA-N 431.562 2.033 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCN(CC)CC2)C1 1760545548 WIUKFYRXUOWZNE-OAQYLSRUSA-N 439.608 2.457 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760564292 UVEQCYLPSIBPSQ-LJQANCHMSA-N 442.637 2.259 30 10 IEEE CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1761260268 RTQVZZLFIDXADR-WOJBJXKFSA-N 449.559 2.085 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)N2CCOCC2)cs1 1762279795 RNVAOFXWTVUDIK-INIZCTEOSA-N 429.594 2.485 30 10 IEEE Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CCO2)o1 1762477786 CLUHBIHUTFKDSW-INIZCTEOSA-N 445.430 2.368 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763735661 IEPDMPINTJVINJ-WMZHIEFXSA-N 439.564 2.316 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)(C)C 1768118061 ZIWCBJDHBLVTLA-OALUTQOASA-N 439.564 2.436 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1770678888 HUOMFYBVDAGJSQ-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE CSc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)ccn1 1771420185 COYZFEWYXVSIHH-KRWDZBQOSA-N 446.602 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC(C)(C)[C@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772793354 NEDMOLUODOGJFD-MCMMXHMISA-N 430.457 2.403 30 10 IEEE Cn1cnnc1S(=O)(=O)C1CN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 1852253335 JKGVXEGRWKCDRS-UHFFFAOYSA-N 437.525 2.281 30 10 IEEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)C2CCN(C(=O)c3ccccc3)CC2)CC1 1853545035 BDEWPQBCYPHZTJ-UHFFFAOYSA-N 443.573 2.360 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)C4CCCC4)C(=O)O3)CC2)cc1 1855828586 QEVBPUUYISGXPB-IBGZPJMESA-N 431.514 2.497 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1(C)C 1856109602 KLDKKDVSBWXKIZ-INIZCTEOSA-N 439.603 2.174 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC3CCCC3)cc2)c1 1858651384 QBIMJZIAYISJDP-UHFFFAOYSA-N 426.498 2.419 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(CCC)nn2C 1864320763 ZLYWQZDLAYRUIV-LJQANCHMSA-N 439.560 2.310 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866730419 VORSCSQEAQEQOB-PMACEKPBSA-N 435.480 2.329 30 10 IEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616179 ADAQJBZOYXJZTG-UHFFFAOYSA-N 445.612 2.088 30 10 IEEE CCc1nc(C2=C(N)N(c3ccc(C(=O)OCCOC)cc3)CC2=O)sc1C(=O)OC 1872724919 YNEUZZBYBFRCGK-UHFFFAOYSA-N 445.497 2.012 30 10 IEEE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)n1 1890307011 AFBKPDFTBBGXOE-UHFFFAOYSA-N 432.528 2.139 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1895864097 GOAWGUFYZAZWFE-XHSDSOJGSA-N 427.542 2.190 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2010152142 UYDSNJARQSJPLS-ZACQAIPSSA-N 439.553 2.027 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)C1 2020888860 PKEAZXBAUWEVLN-CVEARBPZSA-N 439.553 2.334 30 10 IEEE CC[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2085392792 CHVYYSSYXVFGFX-LRTDBIEQSA-N 432.330 2.408 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2174786446 JUYICMVOPKJWFF-RTBURBONSA-N 429.498 2.229 30 10 IEEE C[C@H](c1cc(C#CCCO)cs1)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2186577306 FNAXAXAQRUYJSO-OAHLLOKOSA-N 446.550 2.101 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243423312 WWDWJNUYAFBDIO-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1)B1OC(C)(C)C(C)(C)O1 2247901425 KJSJHUVLEKATCX-OAHLLOKOSA-N 442.387 2.493 30 10 IEEE COC(=O)C1(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CN(C(=O)OC(C)(C)C)C1 2255540439 MZYWTAIOAYTWNK-UHFFFAOYSA-N 438.330 2.282 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630989 RWNLPTJAWSDQID-OKILXGFUSA-N 434.346 2.179 30 10 IEEE Cc1c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255632632 PFRIQVGVCJUSIF-QWHCGFSZSA-N 436.362 2.059 30 10 IEEE Cc1nc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2255812104 MNZAPVUVTBKIFI-LRTDBIEQSA-N 449.382 2.490 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 2255830622 ITYDNRVYWPIMBV-QWHCGFSZSA-N 436.362 2.059 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n1 2255831698 ZWWTYIKMBFHZPQ-UONOGXRCSA-N 436.362 2.234 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2255874046 QPSNSVDENYPBQV-LXZKKBNFSA-N 431.342 2.062 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256619263 XMDVBUVSTLTXDH-LRTDBIEQSA-N 449.382 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090277 CIWNCNADIMWZQM-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267090956 OKBANMWXVLKJPV-GOEBONIOSA-N 448.373 2.426 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267141731 MFPYTNNDKXJXJU-HNNXBMFYSA-N 448.373 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267265718 JRRRQSADULIFIT-ZOBUZTSGSA-N 443.353 2.366 30 10 IEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267550111 VBQMVGKIOJBSLS-MRXNPFEDSA-N 446.357 2.151 30 10 IEEE CN(Cc1cnsn1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282425634 RYOQBFVXTPHIIV-UHFFFAOYSA-N 435.789 2.373 30 10 IEEE O=[N+]([O-])c1cc2c(cc1C=Nn1c(SCCCO)nnc1[C@@H]1CCCO1)OCCO2 2330992506 SCIUDOKVACNSLR-AWEZNQCLSA-N 435.462 2.166 30 10 IEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2342648521 ZQOMWKCAOHQQRV-UHFFFAOYSA-N 449.357 2.329 30 10 IEEE Cc1ccc(S(=O)(=O)N=C2NCN(C3CCN(Cc4ccccc4)CC3)CN2)cc1 780200 VIDKBODSYYBQMG-UHFFFAOYSA-N 427.574 2.114 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])nc43)c2C#N)C1 96552256 QFKJGXZRQPTBOH-SNVBAGLBSA-N 427.442 2.412 30 10 IEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCCCO)[nH]1 253577208 WUBCCDIOIKJAAQ-KGENOOAVSA-N 442.549 2.056 30 10 IEEE CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 435684830 NAVSDDHCVIBOBZ-IPMKNSEASA-N 447.557 2.394 30 10 IEEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 438740389 NSPNXDMZLVNGDV-UHFFFAOYSA-N 440.525 2.154 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1n[nH]c2ccc(Br)cc12 465188038 SJMRYJZSYGCKSP-NSHDSACASA-N 426.278 2.338 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC(C(=O)N(CC)CC)CC2)c(C#N)cn1CCOC 481468164 WFSFCJONRDFRQT-UHFFFAOYSA-N 447.536 2.295 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1Cl 504061904 RESLIPLOORFQLA-INIZCTEOSA-N 445.972 2.078 30 10 IEEE C=CCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1C(F)(F)Oc1ccccc1 508905893 BSGHNPJSCDBABI-KRWDZBQOSA-N 433.459 2.420 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2nc(C)no2)CC1 508912061 JZPKZNCSNPEPTR-UHFFFAOYSA-N 436.520 2.347 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)CC2)c1 510924456 FHDYXJCNZDFZFH-UHFFFAOYSA-N 441.923 2.071 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)cc1F 597172001 GGYZOCNACHCQDA-UHFFFAOYSA-N 439.556 2.496 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 610153402 PLJHZTZXVBVBGA-RTWAWAEBSA-N 436.537 2.299 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1S(C)(=O)=O 611163158 PIOSVBJCWPTLHQ-UHFFFAOYSA-N 429.502 2.490 30 10 IEEE C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 670208851 ZVNIFVWSDDDHQW-UHFFFAOYSA-N 434.491 2.193 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCN1C1CC1 732664936 RDPLXPSNOWDZSX-IBGZPJMESA-N 428.489 2.439 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 746124923 DJFIAIXGVLJEPE-QZQOTICOSA-N 440.481 2.342 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(C#N)cc2)C1=O 748317190 DRLFWJSEIZEZGR-QHCPKHFHSA-N 435.436 2.068 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1ccc2c(n1)CCCC2 750569944 LIMNIHHYFHXEBB-UHFFFAOYSA-N 446.463 2.497 30 10 IEEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H](O)c1c(Cl)cccc1Cl 752964540 HLOULTJGXZRRQC-UGVXHBKPSA-N 427.288 2.241 30 10 IEEE CS(=O)(=O)c1ccc(OCCCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760401667 YPJNXQIPRCWNPH-UHFFFAOYSA-N 442.559 2.169 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 763597165 VVGISSGRHQCYMP-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE COCCOc1ccc(Br)cc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 778492932 JEUUSWJKZJZIPA-ISLYRVAYSA-N 438.278 2.329 30 10 IEEE C=CC[C@]1(C(=O)OCc2nc(CS(C)(=O)=O)no2)CCCN1C(=O)OC(C)(C)C 791715650 HNFKXWMISWVUHC-GOSISDBHSA-N 429.495 2.003 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1F 797587233 SCGUPKMBRVMNPT-SIFCLUCFSA-N 426.510 2.089 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 800772393 BPSMAFCYWYSZAJ-RBUKOAKNSA-N 427.505 2.275 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@](C)(CO)c2ccc(O)cc2)cc1 808819877 RLCNEFUJKSKQEQ-QBHDBVHESA-N 446.529 2.234 30 10 IEEE N#Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)nc1 913193944 GQOXJZOXCXPILZ-JYRVWZFOSA-N 428.539 2.190 30 10 IEEE COC(=O)/C=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(OC)c1 916881143 RFAPZDKNHMZCNU-WZUFQYTHSA-N 444.465 2.293 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 919077804 QFDKTEABBIXWRM-QGZVFWFLSA-N 435.480 2.290 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc1 1083988395 RPBFHRRNYLFPSO-UHFFFAOYSA-N 439.501 2.264 30 10 IEEE CCOC(=O)c1c(NC(=O)CC2(C#N)CCOCC2)sc2c1CCS(=O)(=O)C2 1124721622 DEDDNODGTPFIMV-UHFFFAOYSA-N 426.516 2.045 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ccc(OCC(=O)OCC)cc3)cc2C1=O 1126505221 LSEHJWAKZXKXEF-UHFFFAOYSA-N 436.464 2.383 30 10 IEEE Cc1cncc(N(Cc2ncc[nH]2)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1128796230 QEVCMPRCEQHUIX-IBGZPJMESA-N 443.467 2.423 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C#N)C3CCCC3)CC2)o1 1132850400 SWRSNERURSUVSB-MRXNPFEDSA-N 437.518 2.056 30 10 IEEE Cn1ncc(I)c1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1132899309 JCESSHCATIEBCF-UHFFFAOYSA-N 435.147 2.240 30 10 IEEE O=C1C=COC2(CCN(C(=O)Cn3cnc4ccc(Br)cc4c3=O)CC2)C1 1134301563 NUXIASUTYVDMKL-UHFFFAOYSA-N 432.274 2.023 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 1136861757 KEZSRZUEVJDNMA-UHFFFAOYSA-N 433.574 2.041 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 1140993117 DOCBIGMKRYSDIQ-PMERELPUSA-N 436.530 2.029 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)CC1 1151290375 OAWCVYNSRBLIHX-AEFFLSMTSA-N 433.530 2.025 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)nn1 1151411698 HLEQURITCXUVRW-QFIPXVFZSA-N 439.520 2.285 30 10 IEEE C#CCN(CC(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC(C)(C)C 1160316147 WLUVSRFGLPIQSP-QFIPXVFZSA-N 437.537 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)C1 1233851840 ISOPCOPLQMLSMZ-FZKCQIBNSA-N 435.525 2.149 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1286392944 IEWFRCMVRMOCAC-SFHVURJKSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286396597 GKKPBLKYYKQSEM-PMACEKPBSA-N 433.560 2.366 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOC2=O)cc1 1286411522 XIQMPVCLQIRVFW-UHFFFAOYSA-N 426.480 2.342 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cnc(C)s2)n1 1286472380 XJUNCOWHEQISPF-KRWDZBQOSA-N 441.561 2.078 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN(C)C(C)C)CC1 1286472778 FJIICSNVXWISOO-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286538882 SUQCTIGNCHGLIB-GUYCJALGSA-N 426.315 2.459 30 10 IEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1286687918 NQMZPQFTCNUATM-KRWDZBQOSA-N 448.568 2.269 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286705247 VSEKXARZKISFCH-HUUCEWRRSA-N 431.459 2.263 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCNS(C)(=O)=O 1286747741 PXRWQFRXRYDXPW-KRWDZBQOSA-N 437.541 2.053 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1286751716 KOHNXKWMJPVKTC-UHFFFAOYSA-N 429.546 2.166 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C2CC2)C1 1286803679 ITRQSLYMKJRAFO-HNNXBMFYSA-N 449.353 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1286819414 JTBXSLGJNJQFBN-WDSOQIARSA-N 443.573 2.212 30 10 IEEE C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1291641619 QGHKWPLEMGJDNV-XLIONFOSSA-N 432.565 2.312 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1295959344 DKEJXLXFOSSEHI-IBGZPJMESA-N 447.547 2.217 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1297525065 FVWCLGJBAOAWEF-QGZVFWFLSA-N 432.521 2.432 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1299332665 ABCUOBHHGHWYTG-NOVUIFNWSA-N 427.530 2.117 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCn1cc(Br)cn1 1300479995 WOCQRFOHXUPMKP-HOCLYGCPSA-N 437.342 2.121 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCCCC1 1300647815 AQUNWUWFSJYDPR-UHFFFAOYSA-N 439.564 2.276 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCSCC1 1300673585 QQUOPFFUPKEWMD-UHFFFAOYSA-N 435.544 2.282 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1300703621 MWARXJVTBUNFFC-NTKDMRAZSA-N 435.576 2.069 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](F)COC)CC1 1300731042 LBINPTPGXLBUEM-IBGZPJMESA-N 443.523 2.116 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)C1 1300892833 VRIMFNXGXABMMO-PGRDOPGGSA-N 425.533 2.391 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1301040601 GSRYROVZQGLSOP-KRWDZBQOSA-N 425.961 2.294 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1301374905 GSLGVTWERZOTOR-FQEVSTJZSA-N 434.587 2.395 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC2(C1)OCCO2 1301426728 VXNJWOYWUIADFF-IBGZPJMESA-N 430.553 2.322 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCC2)C1 1301579156 OPEDRMBDEUZRDR-IBGZPJMESA-N 430.578 2.006 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(Br)n2)CCO1 1303004105 MRGHMCNUOPTSOW-CABCVRRESA-N 433.310 2.454 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)CCS2(=O)=O 1304738699 WXPRWOGIJZCCMA-BJCXPLBRSA-N 445.324 2.494 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCN(C)C)cc1 1305944367 JZJGVJCUHQKWLB-JOCHJYFZSA-N 437.592 2.262 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1314520210 AUSOKVQBEJBJLI-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE CNC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1 1315053009 DPPQDJIWHGIWAZ-QGZVFWFLSA-N 426.521 2.154 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cn(-c3ccc(Br)cc3)nn2)n1 1321156174 GICGPVHSIZWMGB-UHFFFAOYSA-N 443.305 2.148 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1355325570 ARZSFUMQISVJLM-KRWDZBQOSA-N 443.548 2.312 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCNS(C)(=O)=O 1358874431 XFFRPIRKPYDQHE-GJZGRUSLSA-N 439.969 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1358887856 CXKPVBBEJOGPOF-AKHDSKFASA-N 447.580 2.390 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1358909416 FXKRHQIORVAONL-UHFFFAOYSA-N 448.531 2.201 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1358925094 SOIJDMCLZKOELT-IBGZPJMESA-N 438.576 2.404 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1358933967 KSIBSLJYLMHMNM-NRFANRHFSA-N 431.500 2.244 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nc(C)cs1 1358939764 FFHJBEVRMZDHQK-UHFFFAOYSA-N 429.575 2.429 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(C(F)(F)F)c1 1358970476 PGONPGQYZNQTCY-FQEVSTJZSA-N 433.434 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)Nc1ccccc1 1358992573 PRUFDGASWGJKNE-UHFFFAOYSA-N 444.495 2.498 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359018379 NVBCIZXBCLQITQ-WOJBJXKFSA-N 444.624 2.357 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCOCC1 1359279252 YRBNVMWQXVNCJD-UHFFFAOYSA-N 440.342 2.216 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCSC[C@@H]1C 1359305218 WRPOEVBSFXFKAA-INIZCTEOSA-N 431.562 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359327037 QDJNLJQMCZDDIC-UHFFFAOYSA-N 445.589 2.355 30 10 IEEE CC(C)(C)[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1359494967 JNYDKKIOXCFTQQ-OAQYLSRUSA-N 446.577 2.007 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)C1 1452492217 VFCLSIGAQFMXER-DYXWJJEUSA-N 433.430 2.406 30 10 IEEE COC(=O)[C@](C)(Cn1cccn1)NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1460915735 ONJRSXXJSHLUQY-SZNDQCEHSA-N 429.546 2.491 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4nc(C#N)ccc43)c2)C[C@@H](C)O1 1461272909 CVMCIILUNZNJIT-HZPDHXFCSA-N 440.525 2.344 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1468556774 ABEDIIWKIVODQJ-ROUUACIJSA-N 426.521 2.325 30 10 IEEE COc1cc(Br)ccc1[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478447095 CNPMFAYDTUZLTD-BWACUDIHSA-N 442.335 2.098 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2)c1 1478902774 ZUMHAIRLMZVLGP-FQEVSTJZSA-N 437.519 2.305 30 10 IEEE CCCN1CC[C@H](Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1500961975 SBXGCTJHNMXCOC-NYVOZVTQSA-N 434.560 2.493 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C 1502322847 GIINXOOWMIEJTL-IBGZPJMESA-N 437.592 2.458 30 10 IEEE Cn1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)n1 1503660670 DYVKDCIJYNJFCQ-GOSISDBHSA-N 447.316 2.464 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)F)CC1 1505319618 DCFZNSSSNZBYHV-QGZVFWFLSA-N 432.475 2.262 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCO[C@@H]1CCOC1 1507643917 WEWDHCZVYQNNDM-QGZVFWFLSA-N 446.349 2.315 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1507818213 VLXACNGEGUPZAU-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507845022 VMVZINCUUJXENP-HOTGVXAUSA-N 445.486 2.270 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507870024 BKYVIZDXBXDMJQ-CYBMUJFWSA-N 445.998 2.282 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC)C1 1508091299 MQOOBDZKCMIBAB-SJORKVTESA-N 448.568 2.125 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508690593 SZUYLUCXOXJKCN-QHCPKHFHSA-N 438.532 2.403 30 10 IEEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)c(OC)c1 1518228733 GDHVRFGCDUOUTG-INIZCTEOSA-N 426.521 2.399 30 10 IEEE COCCC1(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1518973686 CPPSSAVJROVTJP-UHFFFAOYSA-N 426.569 2.458 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CCOCC(F)F)c1 1521075348 MOQJSWDNJXFVGJ-SFHVURJKSA-N 446.502 2.257 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1c(C)cc(C#N)cc1C 1524981866 CVVZNRYPPUZPNT-UHFFFAOYSA-N 442.541 2.372 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nnn1-c1ccc(F)c(F)c1 1525126686 DIJWJJVRSYGWDF-AWEZNQCLSA-N 432.431 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N3CCO[C@@](C)(C#N)C3)c2C(F)F)C1 1536619264 NENONJKYDHCQGL-BLVKFPJESA-N 440.451 2.152 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)CCCN1C(=O)OC(C)(C)C 1537879562 CIQMTYHUDFHCFN-NTPNBAIZSA-N 434.533 2.396 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539216465 SGLUKRLNHVUVLZ-WBVHZDCISA-N 448.618 2.140 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(c2ccccc2OC)C1 1539416634 QRINNVQRYCBSNB-VQTJNVASSA-N 439.560 2.403 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCCCC1 1539421723 WIVHBCFPXBAUGI-UHFFFAOYSA-N 427.597 2.490 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nnn(C)n1 1539548863 YKWGVFJPIDOQDT-JOCHJYFZSA-N 436.520 2.305 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539709538 BAYNHQJBYOMDSH-UHFFFAOYSA-N 438.561 2.030 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539874412 FPPWPVVKCZWXGL-RXVVDRJESA-N 438.594 2.157 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N(C)C 1541512898 AACDIIXVFCAXLR-UHFFFAOYSA-N 429.525 2.250 30 10 IEEE C[C@H]1COCCN1c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1Cl 1543483022 QUHTVYUHLLHBDZ-ZDUSSCGKSA-N 448.932 2.242 30 10 IEEE CC[C@H](C)N(C)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1545676376 BWPWHSULDPCWPT-ZWKOTPCHSA-N 437.596 2.338 30 10 IEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1(C)CC1 1548371098 RTDYEJUIFXUAKB-KRWDZBQOSA-N 438.450 2.157 30 10 IEEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N 1555685361 QRPFHPKYUNNFPU-QGZVFWFLSA-N 426.521 2.183 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1555719500 GUYUMZKYUHWSGY-QHCPKHFHSA-N 441.532 2.254 30 10 IEEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1557113001 SDHDPWMJGZOODL-MUUNZHRXSA-N 436.511 2.071 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NCCC#C[Si](C)(C)C 1557435890 YDVLHUSNSJXBBA-UHFFFAOYSA-N 446.649 2.456 30 10 IEEE C#CC[C@H](CCOC)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1557770418 LEOBQONDMVAOKV-GFCCVEGCSA-N 426.844 2.182 30 10 IEEE CC(C)COC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1561205627 CJGLNGNAQWXPQI-UHFFFAOYSA-N 430.324 2.420 30 10 IEEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)CC3(C#N)CCCCC3)CCO2)cc1 1561780957 DJUHISDYBUOMQE-GOSISDBHSA-N 426.560 2.267 30 10 IEEE CCOC(=O)c1ccc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)o1 1587384684 SJRZVQUCOKTKQY-UHFFFAOYSA-N 447.513 2.372 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCN2CCOC2=O)c1 1587692217 AGTNYWVHGXCVSU-UHFFFAOYSA-N 436.516 2.444 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 1587703073 IYWQGXWKEQSVGD-HXUWFJFHSA-N 442.560 2.248 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1588055817 ZWFFDUVUVPBWSL-NHCUHLMSSA-N 442.585 2.430 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588074819 SPZBFVZFAUFQOG-QZTJIDSGSA-N 436.578 2.106 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1588451752 HOFXYJIPAHKLJI-UHFFFAOYSA-N 425.411 2.004 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(OC)nc2)CC1 1588857281 LRMSQTWJYQEWKO-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1594819460 DELQXEJQOYTJJK-UHFFFAOYSA-N 433.578 2.253 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1594992926 VUNBQHHZSJOPRS-OAQYLSRUSA-N 438.576 2.314 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1595094760 YIKNHTAHHWOGMN-UXHICEINSA-N 436.516 2.099 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1595239529 LZKGXHUWENXYFC-VPTFNQTCSA-N 427.574 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1595798458 PNTQWNQBAIKYNX-ZWKOTPCHSA-N 436.534 2.291 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](CN3CCN(c4ccc(C#N)cn4)CC3)C2)C1 1615233580 KDNRGLTVJYWXNB-CVDCTZTESA-N 427.549 2.491 30 10 IEEE Cn1cccc1-c1nnc(N2CCC(F)(F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1618440699 BHDWLTQCORQAGU-VLGSPTGOSA-N 431.447 2.046 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccsc2)c1 1620150333 JSVQBZOIBQAFSQ-KRWDZBQOSA-N 443.554 2.382 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1620351229 YJGIBIMDJRVBQO-RDJZCZTQSA-N 430.459 2.333 30 10 IEEE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 1621617990 GAGKJUBGHOSVAF-UHFFFAOYSA-N 436.541 2.326 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3ccc(F)c(C#N)c3)CS(=O)(=O)[C@H]2C1 1627830530 SNFPFHQFIRNFLK-LXZKKBNFSA-N 437.493 2.306 30 10 IEEE C#CC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)CC1 1630039485 VKYGIAXDEXKZIW-INIZCTEOSA-N 439.375 2.287 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2)C1 1635200700 LEFZMEOIPMNXOX-HZPDHXFCSA-N 445.541 2.402 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1637990403 RKYDSSPTMBVQPJ-UYAOXDASSA-N 429.314 2.350 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)c1 1641770585 SNDCADBNKXEUIO-IBGZPJMESA-N 448.523 2.236 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1scnc1C(=O)OC 1661408232 QKIJDIXPNHUOQX-OAHLLOKOSA-N 438.527 2.281 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@@H](O)COCc3ccccc3)C2=O)cc1 1671576152 DLHDJIKSVZDFIT-FGZHOGPDSA-N 436.512 2.321 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)cc1 1672952197 QPUKHQXIJZQDID-QGZVFWFLSA-N 427.505 2.207 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)[C@H]1CCOc2ccc(Br)cc21 1675094188 KSPMEBAWBYYGPF-WQVCFCJDSA-N 441.347 2.493 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)c(OC)c1OC 1683570107 JOGVZQIKCLFNIP-UHFFFAOYSA-N 430.505 2.264 30 10 IEEE C#C[C@@H]1COCCN1C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1684507772 WTSRTWOZXVUVIN-CQSZACIVSA-N 429.336 2.045 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ncccc2Cl)CC1 1690124069 DUDNOXPQIXWPHZ-SFHVURJKSA-N 430.940 2.402 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1690344303 PFRJPIFZMHJNEG-QGZVFWFLSA-N 425.961 2.294 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690661311 ZFSKNXZHTQTQTK-FUHWJXTLSA-N 440.548 2.004 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)C1 1690700603 VHPSNMIXVJCSGT-GVDBMIGSSA-N 426.608 2.105 30 10 IEEE C=CCSCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1690752847 SQZNHKJSOYMLCI-WIYYLYMNSA-N 448.593 2.161 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1691009409 YMISKPWBJWKWAC-BFQBXFRASA-N 433.516 2.186 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1697007785 YUHKJKLUNCEAJZ-CZUORRHYSA-N 436.438 2.499 30 10 IEEE CO[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1697686797 RXJOKDPSHJQLGZ-LPYRORPOSA-N 430.553 2.254 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1705477981 UXVSXHWENVMXCX-GHMZBOCLSA-N 446.396 2.219 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1705480508 VZMYGIJZOUAUNJ-HXOBKFHXSA-N 425.533 2.186 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705884433 OUIJEAGRZKISRN-IRXDYDNUSA-N 447.502 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705937379 RVMCGBBIPYMWDD-UHFFFAOYSA-N 446.573 2.411 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1705939895 PLFWTMDZSAVOFX-INIZCTEOSA-N 435.619 2.413 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705945135 CJRBXTUDNMUMSP-IBGZPJMESA-N 448.637 2.183 30 10 IEEE CC(C)=CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1706211509 AXQRYJPKKQSBPN-UHFFFAOYSA-N 438.532 2.380 30 10 IEEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1708266955 QJACUPSTDFIGFX-APFMSCDFSA-N 449.540 2.285 30 10 IEEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1711263453 IGSZBWMTXHATLD-QGZVFWFLSA-N 433.507 2.380 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)c1nccs1 1712561044 GJYKGIMGIJDTSN-JFIYKMOQSA-N 445.593 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CN(C(=O)OC(C)(C)C)C1 1722305402 HBVJHAXDHZBXIS-SZMVWBNQSA-N 433.553 2.327 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722329279 GUQQGKKPHLOHJW-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722361400 MRFOAEONIDABHN-INIZCTEOSA-N 442.545 2.197 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccco1)N(C)C 1722372803 AVRXDLBFYXECRS-XXBNENTESA-N 425.533 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)CCC(C)C 1722466948 IVBXSOMDWDEENA-DBVUQKKJSA-N 425.599 2.068 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1722511205 XSMXMDMKPWBNHM-FXAWDEMLSA-N 436.553 2.470 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1722614341 JZGLQCWJJHAVEZ-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1722680073 VYWGYYODDUCPAQ-CQSZACIVSA-N 435.326 2.074 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1722699698 MOROBPAFXYHJAN-UHFFFAOYSA-N 440.592 2.027 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1722750144 KPMYXWLVFAHPNC-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1723784197 CIYMFXZUBLCMKR-MRXNPFEDSA-N 426.521 2.124 30 10 IEEE CNC(=O)c1cccc(CCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)c1 1729652558 SICBMERZXJSPLQ-OAHLLOKOSA-N 449.515 2.346 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCC2)CCO1 1731191038 XQUYWXPVYSSHDP-INIZCTEOSA-N 429.912 2.125 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(F)(F)F)CC1 1740693122 UINSQYWQJRBZNN-UHFFFAOYSA-N 445.453 2.019 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740760549 QAGJPESSHJUCMX-VQIMIIECSA-N 425.599 2.072 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740762651 VHRBIWVTIYKKBD-WIYYLYMNSA-N 432.613 2.058 30 10 IEEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1740912629 MEDJOGLRNVCHCE-QGZVFWFLSA-N 436.607 2.213 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1741002097 FYFKRXOFJYZROR-ZWKOTPCHSA-N 439.651 2.164 30 10 IEEE CCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1745676129 DJCLGFDCERTWJG-JOCHJYFZSA-N 425.537 2.322 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)ncn1 1748289015 GUAPIIZGWFCJDH-DLBZAZTESA-N 439.568 2.096 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2n[nH]c(C)n2)CC1 1748983076 IBFRXFAWNGWSDZ-UHFFFAOYSA-N 440.939 2.032 30 10 IEEE C=C(Br)Cn1c(N2CC[C@H](OCCOC)C2)nnc1[C@@]1(OCC)CCOC1 1749113237 WGQZBLXABRBPGI-MAUKXSAKSA-N 445.358 2.081 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749277531 FLMQMZKCWQOBSD-KUHUBIRLSA-N 437.953 2.406 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C)C1 1749651233 QEDKGOICXBPIJD-IAGOWNOFSA-N 429.521 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccccc1 1749738188 IKOCXUBRBPDKFO-LJQANCHMSA-N 443.573 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1749741250 VFVTWOFYJFVYDK-RCCFBDPRSA-N 440.610 2.270 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1750980377 MGEGRVWVMGJDQU-LJQANCHMSA-N 433.520 2.164 30 10 IEEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760132358 LQKARKRJMDCLGT-UHFFFAOYSA-N 426.521 2.224 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1760137656 LUYVQCALSJNXJA-IBGZPJMESA-N 449.552 2.190 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760143856 UYGPJWKGYHWMEC-UHFFFAOYSA-N 430.553 2.421 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)cc1OC 1760212503 WIJJAZIJGNBPDJ-DEOSSOPVSA-N 438.528 2.459 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccco1 1760223467 GCFYFKBLMLKJJK-QFIPXVFZSA-N 437.525 2.233 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2Cc2cnn(C)c2C)n1 1760251427 ABXLIAVQVBUZSH-UHFFFAOYSA-N 438.580 2.440 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(C)Cc2ccccc2)CC1 1760271747 KBSHOHFFCSENPS-UHFFFAOYSA-N 434.588 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)C(C)C)CC1 1760271994 UXTXIVAKWBXASA-JOCHJYFZSA-N 444.605 2.007 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760407500 FPSOUPXIJHYMBA-RBUKOAKNSA-N 430.597 2.273 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCN(C(C)C)CC1 1760457486 URMZZLGCXTYVOW-UHFFFAOYSA-N 447.605 2.206 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1760495455 OGXZTUPIRRXTNQ-FQEVSTJZSA-N 445.589 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCCO1 1760558478 PXTHBUBLHDGWQT-KGLIPLIRSA-N 428.465 2.251 30 10 IEEE COc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(C#N)o2)cc1 1768721679 XFQULKKFXBBOQW-UHFFFAOYSA-N 438.488 2.339 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCC2)CCO1 1769260158 XNEGFQMYCNNZOV-AZUAARDMSA-N 436.516 2.036 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)C1 1770110445 SNHFIRJXXAJQLV-NJYVYQBISA-N 441.532 2.110 30 10 IEEE CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1770454930 DTYNFWZHZSLSKB-HNNXBMFYSA-N 429.550 2.433 30 10 IEEE COCCOCCn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771276852 NNLMTPAUJKMCKZ-UHFFFAOYSA-N 448.527 2.261 30 10 IEEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2c(F)ccc(C#N)c2F)CC1 1851384542 BGDDPCCNMXPIBY-UHFFFAOYSA-N 438.438 2.384 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)c1cccc2c1OCCO2 1852042706 DVZCWKUWJDXDDE-UHFFFAOYSA-N 434.905 2.418 30 10 IEEE Cn1nc(-c2ccc(F)cc2)cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852780874 OTWMZVUNPSOMMP-UHFFFAOYSA-N 434.475 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)Nc2cccc(OCC#N)c2)CC1 1852844799 YZMFPXXUXALRRG-MSOLQXFVSA-N 428.489 2.243 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCSc2ccc(OC)cc2)C1=O 1854219889 UNLIOXKMDDJOBR-OALUTQOASA-N 431.558 2.024 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(F)cc(Cl)c2)C(=O)C12CCCCC2 1854488139 RBSXIOHQIOPIQF-UHFFFAOYSA-N 427.885 2.320 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncn1C 1854527377 LIJIMTSQJFKHOM-INIZCTEOSA-N 428.514 2.269 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)CSC3CCCC3)C2=O)CC1 1856175640 TVVKAKHNYDMQPZ-LJQANCHMSA-N 427.574 2.269 30 10 IEEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)CCCS(=O)(=O)c3ccccc3)C2)CC1 1857216308 GSEIVWXSFODKLV-LJQANCHMSA-N 431.558 2.241 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858336564 UFNQZVHQJBFQNK-GOSISDBHSA-N 433.555 2.423 30 10 IEEE CC(C)c1cc(O)nc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4n3C)CC2)n1 1859428334 VQESCMGBXXBUAK-INIZCTEOSA-N 433.516 2.191 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c(=O)cc1CN(C)CCO 1870388513 AHAZTCURUZHLGD-UHFFFAOYSA-N 449.935 2.446 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c(=O)cc1CN1CC(O)C1 1870389078 ZKKJLQZCLZTTLZ-UHFFFAOYSA-N 447.919 2.199 30 10 IEEE COc1ccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 1874340323 HWDDMJFNYQFPMA-LTNVFZTJSA-N 447.561 2.376 30 10 IEEE CCOc1cc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)ccc1O 1874345638 YWOUGDSBMYCYQU-YDZHTSKRSA-N 441.513 2.464 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc(OC)c1O 1874470382 BXLMHNKUNYTQGX-KEBDBYFISA-N 448.530 2.251 30 10 IEEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1891158749 OZWKBVKUCHIQRF-UHFFFAOYSA-N 442.541 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1999430175 KNYKKBHXFPGIKR-KSZLIROESA-N 438.569 2.439 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)[C@@H]1CCOC1 2060642575 YZNAAOULCHVBJP-NRKLIOEPSA-N 436.358 2.467 30 10 IEEE C=C[C@@]1(O)CCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 2195065265 SQPUEGAARYYION-GFCCVEGCSA-N 426.130 2.105 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212229913 FHGATFHGUPFILJ-VTJXTGGHSA-N 427.542 2.190 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243412940 WJXMSXJPKQTROS-LBPRGKRZSA-N 446.400 2.239 30 10 IEEE Cc1c(C(=O)NCCCN(C)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255533744 XNKSFINPCSCVGX-UHFFFAOYSA-N 426.370 2.280 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631776 DOROKYIZIZJNEA-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2sccc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255797351 FMEULEXXFNUZSL-RYUDHWBXSA-N 444.284 2.425 30 10 IEEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256061348 KGGLCDSDALEEEM-CQSZACIVSA-N 434.346 2.055 30 10 IEEE Cc1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267109350 OLDYRKINIBSKFH-KRWDZBQOSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267137325 PQOWLYFCOODQFK-CQSZACIVSA-N 446.357 2.371 30 10 IEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267145950 JYKVWKJFUANVED-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267168823 VAICHUXZRUJRMQ-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267176081 VCQXOJKQGXAVBA-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267185680 YVMKRFJJCPQEAO-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267222083 WFSQRWWQKJIQBB-SQWLQELKSA-N 446.357 2.227 30 10 IEEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CC1(C)OCCO1 2267366407 FYZDWJSDEHRVTC-CYBMUJFWSA-N 431.385 2.115 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C(=O)OC(C)(C)C 2267515180 KPBNMFNAPGMSNP-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)NCC1CC2(CCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267515796 UHMQVDCBUZYXDX-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C 2267529519 MNDFGHLZDSRVFB-XLIONFOSSA-N 438.381 2.453 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268635940 XJNSUACZGRYLMF-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268784603 HCTCAARSTCXNLN-CABCVRRESA-N 447.341 2.080 30 10 IEEE Cn1nccc1C(=O)N1CC[C@]2(CO)CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1 2297648419 DIKICXYOSDIGSK-FOIQADDNSA-N 433.434 2.272 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300342626 WVZYXQXPOFYGCA-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](O)C#CC2(S(C)(=O)=O)CC2)C1 2302955013 JXTRQSIDXVANGH-LJQANCHMSA-N 449.569 2.382 30 10 IEEE CC1(C)CN(Cc2ccccc2)CCN1CCNC(=O)C#CB1OC(C)(C)C(C)(C)O1 2316233450 MEIAHBBHIXUTAP-UHFFFAOYSA-N 425.382 2.334 30 10 IEEE Cc1nc(C(=O)N[C@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2320450578 YNRUZTKWGZRILN-QGZVFWFLSA-N 446.378 2.448 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C 2337200656 LDYPSSYAQFUICP-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE COC1(C#N)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364298917 WPHVLXZEFSIDHB-UHFFFAOYSA-N 433.530 2.177 30 10 IEEE CN(C)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 20756142 MTRVRAFWUXHXKF-XSFVSMFZSA-N 433.490 2.128 30 10 IEEE O=S(=O)(c1ccc(N2CCCC2)c(/N=C(\O)CNCc2ccco2)c1)N1CCOCC1 82055866 UIHMIENFNCUFRY-UHFFFAOYSA-N 448.545 2.279 30 10 IEEE COc1ccc(Br)cc1/C=N/NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 169907662 KGVBTUNXPHWNGZ-CAOOACKPSA-N 426.248 2.205 30 10 IEEE C=CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CO)(C(=O)O)N[C@H]2c1cc(Cl)cc(Cl)c1Cl 248246301 QMJUUBCTQRFYRC-JPVZDGGYSA-N 447.702 2.284 30 10 IEEE CC1(C)CCC[C@@](O)(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 438490052 HVMFAVFLGJXYEF-QFIPXVFZSA-N 433.574 2.406 30 10 IEEE COc1ccc2occ(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2c1 440453442 NOAJCLOJORNZNK-UHFFFAOYSA-N 425.466 2.460 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508481093 NEAMNDKEFXZQRT-KRWDZBQOSA-N 426.477 2.115 30 10 IEEE CN1CCCC[C@H]1CN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 517507111 AYELKGBUTXWKJD-QFIPXVFZSA-N 425.577 2.342 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)o1 527261003 AUFAUXWLVBPEPT-GOSISDBHSA-N 425.464 2.128 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)s2)c1=O 530653674 RJZZGWADTHMONK-UHFFFAOYSA-N 429.592 2.468 30 10 IEEE Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)ccc21 542981909 FPJGUYGVPAZYKA-UHFFFAOYSA-N 442.888 2.389 30 10 IEEE COc1cc(OC)cc([C@H](NCCS(=O)(=O)c2cccc(C#N)c2)c2nccn2C)c1 549110880 BQERPHNDAYANDQ-NRFANRHFSA-N 440.525 2.462 30 10 IEEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(F)cccc2OC(F)(F)F)c1=O 556334202 WCFIRGDHLFLNGA-UHFFFAOYSA-N 426.391 2.357 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 558307890 SGXCWRWZKSZXQK-SFHVURJKSA-N 433.555 2.448 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(c2c(C#N)cnc3c(Br)cccc23)CC1 571848466 ZSHYOYGQJIJGJI-UHFFFAOYSA-N 438.351 2.187 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 611107968 BYRVLBJEYQEWLP-UHFFFAOYSA-N 433.555 2.271 30 10 IEEE CN1C(=O)N(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C(=O)C12CCCCC2 612623822 IOAYLMRNPFUIIX-IBGZPJMESA-N 441.507 2.131 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)c(OC)c1OC 619474180 HUNVFCNFVMJHOC-UHFFFAOYSA-N 445.541 2.285 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 727409977 DJTIIUNEHJASLX-WEVVVXLNSA-N 425.514 2.123 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)c(Cl)c1 727416497 SIOJPHITMJIXSM-UHFFFAOYSA-N 431.876 2.312 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C#N)c(Cl)c1 729672614 XXIAOBLBLIAKNS-UHFFFAOYSA-N 428.864 2.098 30 10 IEEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cc1 730139517 QSOSJGWHCNTOBQ-OALUTQOASA-N 448.589 2.264 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 732465442 FGWZSLBDHLNNAI-JVMRMLDLSA-N 449.914 2.269 30 10 IEEE CC(C)CN(C(=O)CON=CC(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 742362318 GWJUPWUCMMEFSN-CQSZACIVSA-N 447.916 2.092 30 10 IEEE COc1ccc(-c2nnc(SCCS(=O)(=O)c3cccc(C#N)c3)n2N)cc1OC 753967580 FFYOQHZTPRXIPY-UHFFFAOYSA-N 445.526 2.114 30 10 IEEE C=CCn1c(Cc2noc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)nnc1N1CCOCC1 761775067 AVQREYVRIYOTFZ-KRWDZBQOSA-N 449.515 2.103 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)c1 772310655 HYOYOLUMKQYWNO-CYBMUJFWSA-N 430.327 2.044 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)cc1 778679523 ANEZPHCZSURGTJ-FQQSSWHASA-N 446.492 2.469 30 10 IEEE C#C[C@H](N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1)C(C)(C)C 807935185 CGDSBDKZBWZUAA-KQDLCYBISA-N 443.617 2.040 30 10 IEEE C#CCN(c1nnc(CCCc2cccs2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812385189 SCQCEAZGPAXQPZ-MSOLQXFVSA-N 448.614 2.178 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)c1ccc(F)cc1 812755033 JNCAAGIMXBRSDP-MRXNPFEDSA-N 425.279 2.357 30 10 IEEE CC(=O)N1CCC(N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)CC1 914551521 FUDOVTCANDSBIB-SFHVURJKSA-N 432.521 2.437 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)cc1OC 1084472680 KDQUQNXRJBTLPJ-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE C#Cc1cncc(C(=O)N2CCC(N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CC2)c1 1131373376 OTXYETDLIHXSRQ-MOPGFXCFSA-N 440.500 2.108 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 1133157201 IASPJQNUNSRSHF-CQSZACIVSA-N 447.351 2.327 30 10 IEEE Cc1cc(Br)ccc1SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134052856 PZWDEURJKRDHOO-LRDDRELGSA-N 429.361 2.246 30 10 IEEE C=CCOC[C@@H](NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)C(=O)OC 1139175360 CBKGZVMLJVGXCS-FMPZLKCCSA-N 442.578 2.416 30 10 IEEE C#Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1141043341 VRQIENMIUXLVIE-IFMALSPDSA-N 426.538 2.232 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)C(=O)OC 1141998859 WGGCRAUMHDJRIP-MRXNPFEDSA-N 436.873 2.141 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccccc3OC)no2)cc1 1148937490 OKGXYRBUOGKFEL-UHFFFAOYSA-N 425.466 2.192 30 10 IEEE C=CCC1(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CCCCC1 1157375358 NIGJIMBXLYGQIF-IBGZPJMESA-N 427.593 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1171843648 VDHYTGOKNAHYJQ-UHFFFAOYSA-N 446.523 2.498 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccncc1Br 1177028323 GEJJXPMXYBDAOM-RYUDHWBXSA-N 437.319 2.260 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Oc2cccc(C)c2)CC1 1197359383 KKNRXDWYDYTYPO-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE C#CCN1CCC(NS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1213773262 MWHQGGDUEVEOCF-HXUWFJFHSA-N 433.574 2.052 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286269374 DUXMBSJQLGCVFN-IRXDYDNUSA-N 430.553 2.372 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286295676 JDRGFOWYPRVASO-MOPGFXCFSA-N 431.544 2.390 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1286412203 CSZBRCWJUWHILB-HSZRJFAPSA-N 427.618 2.292 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCC[C@@H](C)C1 1286462183 GBPCNUMGBSLTHQ-QZTJIDSGSA-N 442.564 2.212 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(OC)CCOC2)CC1 1286473684 QQXLJJSQMZIGOK-JOCHJYFZSA-N 447.486 2.107 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1286622648 JKDKTLDUMUROOO-HOTGVXAUSA-N 437.953 2.316 30 10 IEEE C#CCCN1CCC(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1293932201 HHXIGIJIJGJEPE-UHFFFAOYSA-N 427.364 2.217 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)s1 1300021545 ZNBCAZFQKAWRAX-GOSISDBHSA-N 444.582 2.364 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300404015 SUMAHHBTTOVASL-HNNXBMFYSA-N 440.529 2.021 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1300501856 NWQJJTFILNJUMO-NTPDMAOXSA-N 428.558 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300556235 FVNCAWFVLIHBAP-JTAQYXEDSA-N 430.549 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCC[C@@H]1C 1300654590 ADFDQZCXNDYGTR-SBUREZEXSA-N 426.517 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](OC)C(C)C)CC1 1300729196 QCJIKDKQBKOQTC-LJQANCHMSA-N 444.605 2.271 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300927485 GTXXWSLKEASAIN-WBVHZDCISA-N 428.924 2.152 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)ccc2OC)CC1 1301066049 NBHUXYNBWMIBJX-OAHLLOKOSA-N 435.550 2.110 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1301142269 ZQJKTKHRFGQYIC-IBGZPJMESA-N 441.532 2.270 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 1301223522 XFGDEQLQGNFHAW-LJQANCHMSA-N 449.577 2.222 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1301553653 QEUPUFKWLLFHIY-MSOLQXFVSA-N 443.523 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1302225939 WWAUHSKYXKHJTI-KZNAEPCWSA-N 446.552 2.300 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1[C@H]1CC[C@H](COC)O1 1303955572 NIYGNBSGXLPIOU-YYIAUSFCSA-N 432.945 2.444 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c1 1306848734 AJBYHODVHWRJIW-UHFFFAOYSA-N 447.520 2.433 30 10 IEEE CCCOc1ccc(C(F)(F)F)cc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1310029895 AEWPNXZFHQCHGL-UHFFFAOYSA-N 425.367 2.450 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@H]1C 1313941373 BWXPSBWNSIXSPD-NQIIRXRSSA-N 440.548 2.065 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C[C@H]1OC 1316332858 GVAIELSQCODJIV-AQNXPRMDSA-N 425.489 2.271 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358944022 DYVATLCWYKBTRF-IBGZPJMESA-N 427.516 2.387 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1358948660 HUWDKKUKUITUSD-SFHVURJKSA-N 447.630 2.223 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359048514 SVKDBNHXFXDEAH-KRWDZBQOSA-N 443.577 2.031 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1 1359100147 XZBVZIJXWRQDTR-PMPSAXMXSA-N 430.521 2.397 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359201329 KDALAKCPVGDFAR-UHFFFAOYSA-N 432.536 2.332 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359310310 SHQLYIISDPTXTI-LJQANCHMSA-N 433.516 2.453 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1359321042 ZCSYLKGMRWBZNK-VQTJNVASSA-N 433.597 2.189 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CSc4ccccc4O3)C2=O)cc1 1437099418 WEZZFVBKYCYEFY-DLBZAZTESA-N 436.493 2.433 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 1441092736 VTNROLXTVURZRR-QFIPXVFZSA-N 426.538 2.287 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNC(=O)c2ccccc2F)C1 1445868016 VYFSCCGGDCKFIU-UHFFFAOYSA-N 445.292 2.442 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnn(C)n2)c1 1457754826 LUSDFFJQYYKOEF-UHFFFAOYSA-N 432.893 2.497 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(Br)ccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1463162863 HWRVTXFSOFACBX-BJOHPYRUSA-N 435.246 2.061 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)CC1 1465872436 NJPLQYDXCHSCFC-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOc1ccc(Cl)c(F)c1 1468101344 QFJIDOXALSFXCM-GFCCVEGCSA-N 425.869 2.213 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC2CCC(C#N)CC2)C1 1469915971 PEZKITPTKDTTFG-JCYILVPMSA-N 442.582 2.040 30 10 IEEE N#CCc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1474812676 GGEFYRGDLUAGRP-UHFFFAOYSA-N 439.946 2.101 30 10 IEEE CCc1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1Cc1ccc(C#N)o1 1499173299 STNNPGOFGXRQRS-UHFFFAOYSA-N 437.479 2.253 30 10 IEEE CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1503614228 AQKVKPCBDGIHQZ-ARFHVFGLSA-N 444.502 2.420 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1503874643 QZILJQYDAPDNGI-HNNXBMFYSA-N 435.431 2.010 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CCO1 1504723602 XWBJCFLZHDUVEA-PZJWPPBQSA-N 441.532 2.112 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507629807 WNGKEJPMJVOTOC-QGZVFWFLSA-N 444.557 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507631344 ORHOBOKUOAOKKE-GOSISDBHSA-N 431.562 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCC1 1507652353 HWNDFWFMERJTGI-UHFFFAOYSA-N 443.511 2.069 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507711922 LZOZVVRIQQWREG-UHFFFAOYSA-N 447.543 2.492 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)NC(C)C 1507769409 FKSZBWJSJWBPDK-JOCHJYFZSA-N 445.589 2.485 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507983905 YNAUBNGKHJDVCM-KRWDZBQOSA-N 441.502 2.415 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@](C)(CC)O1 1508040401 WQDDKGFFYQZFPZ-HLIPFELVSA-N 426.583 2.167 30 10 IEEE CC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cn1 1508281942 GMLCRIPCGKEQHQ-UHFFFAOYSA-N 432.488 2.338 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1510105727 BZYNIEXZXGNLEQ-JKSUJKDBSA-N 429.525 2.173 30 10 IEEE CCCN(CC)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1514699518 VSHNURHINATOSE-HXUWFJFHSA-N 438.580 2.107 30 10 IEEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC=C(Br)C2)n1 1517402525 MPPSWPXRCGXGJB-UHFFFAOYSA-N 425.294 2.482 30 10 IEEE COCCN(C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1519108694 HTHSBLWUTSSFLY-NRFANRHFSA-N 430.484 2.084 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1CC1 1519320053 NWTDYMNZXBYANU-KRWDZBQOSA-N 442.568 2.042 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1539094272 NFZWCTQLQACLFY-AWEZNQCLSA-N 427.521 2.317 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)CN1CCOCC1 1539359530 JJEQXUAEIPNBGS-SFHVURJKSA-N 427.549 2.390 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1539491262 NVZMFAVZRHNCQT-QFIPXVFZSA-N 440.573 2.215 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCn2nc(C)nc2C1 1539497883 QFINSYBAYVJJIR-UHFFFAOYSA-N 447.366 2.322 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1539570351 SZXUVRLKOQAXSC-PMAPCBKXSA-N 443.592 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1539631521 LSURCNNDMVPJFU-MHORFTMASA-N 438.594 2.165 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2OC)CC1 1539875268 VKSHOHMXNLLZLP-CQSZACIVSA-N 437.541 2.487 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1540094644 ITEJFPYLFHWTAK-QFIPXVFZSA-N 426.521 2.016 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CSC[C@@H]3C(=O)NCC3CC3)C2)C1 1540577678 CPOOWKAIHFERLD-QOQLHOOGSA-N 448.589 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](COC)C1 1540863655 AAROMSCSIZDOIL-CQSZACIVSA-N 434.338 2.483 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOC2=O)c1 1542676267 CLCPOBDOGLQRCK-NRFANRHFSA-N 428.468 2.450 30 10 IEEE COc1cc([C@H](C#N)NC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1544487506 ZTEBIAWNIGCZPB-OYHNWAKOSA-N 449.504 2.155 30 10 IEEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cs1 1546382359 NTQUSYKAFFWHCA-SCLBCKFNSA-N 437.595 2.086 30 10 IEEE CN(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1552889315 CKQXPNGFIKSWSC-HXUWFJFHSA-N 434.541 2.029 30 10 IEEE C[C@@H]1CN=C(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)S1 1565741437 DQIBFQDSLITRHR-PYCORMQUSA-N 447.605 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1587666920 AWWQMRUWSYXYMD-INIZCTEOSA-N 427.530 2.154 30 10 IEEE C#CCCCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587793392 LPNCZYFYUFJLHG-QHCPKHFHSA-N 431.581 2.427 30 10 IEEE CCNS(=O)(=O)c1ccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1588014252 AULXUGQWJRASAY-KRWDZBQOSA-N 438.550 2.188 30 10 IEEE CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1588014254 AULXUGQWJRASAY-QGZVFWFLSA-N 438.550 2.188 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588054789 PSJJAYBXGKDZIM-WOJBJXKFSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1588060036 YEPBIIDQDUTPQZ-CBQOVEMMSA-N 434.606 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nccc(C(F)F)n1 1588088888 BJZJUQQTAGVFRG-NRFANRHFSA-N 430.459 2.167 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(COCC(F)(F)F)c1 1588128498 MPJANBYAORGHRM-SFHVURJKSA-N 445.445 2.429 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588672196 BTDMMWULIYMMCN-DENIHFKCSA-N 445.589 2.448 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1588800964 SWGACZGLWXFTHS-GOSISDBHSA-N 439.564 2.351 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1589296193 PPCYOLBRGHALTF-KKUMJFAQSA-N 442.358 2.158 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1593746841 OINBBLJNQQBMHQ-OALUTQOASA-N 448.593 2.119 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1593895678 TYRWPHIFQAPBID-IRXDYDNUSA-N 432.956 2.384 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595543946 CEUVPWWLGWUJFP-IRXDYDNUSA-N 448.568 2.315 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2C)C1 1595674072 MDMQSBSAISQEPZ-MJGOQNOKSA-N 433.578 2.335 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1595706499 MBWOEQWQRAIQLM-ZBKJMMEJSA-N 434.500 2.253 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCCCC2)C1 1595745955 ZGZQFJOOVVTDGA-FQEVSTJZSA-N 441.580 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595773204 UJFCJKUIDJJECO-FQEVSTJZSA-N 449.964 2.058 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccccc3F)CC1)C2 1595972259 JFAKDDBOROHYSN-IBGZPJMESA-N 427.501 2.382 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1596832537 WHSBDFCBJXKJMZ-IRXDYDNUSA-N 448.568 2.487 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCc2nccc(C(F)(F)F)n2)s1 1603634884 OXIQHFQYHRPBMX-UHFFFAOYSA-N 448.492 2.265 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1618008378 VBFHFHWFPZMQLR-CVDCTZTESA-N 441.484 2.238 30 10 IEEE C#CCN(CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)CC(=O)OC(C)(C)C 1619905501 WLPBYPQRJUPGFL-UHFFFAOYSA-N 449.573 2.077 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)s1 1624386027 FNXPWHGMDRQXOO-UHFFFAOYSA-N 449.598 2.350 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)s1 1625159585 GSCPKYHGNMOHAL-UHFFFAOYSA-N 447.582 2.306 30 10 IEEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 1625871004 FICOFCBYXRXGJQ-UHFFFAOYSA-N 444.257 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CC4(C#N)CC4)CC[C@H]32)CC1 1626479031 LDYCKMPFWDIIRH-IAGOWNOFSA-N 431.537 2.074 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1632038878 XUVXTWBGAUNPRZ-QGZVFWFLSA-N 449.573 2.302 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2[nH]c3ccccc3c2C#N)C1 1634269365 HEEYSJPTHJOEHL-CQSZACIVSA-N 446.529 2.194 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1638134860 MROLKXLAHQMNSU-IYARVYRRSA-N 447.557 2.056 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CCO)C1CCN(C)CC1 1640275990 FBHASRMWYDSURD-UHFFFAOYSA-N 440.338 2.013 30 10 IEEE CC(C)(C)OC(=O)NC1CC2(CC(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)C1 1640835871 CGQRWSKKTFVPCF-UHFFFAOYSA-N 447.557 2.425 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)C1 1643888236 JGQLPYOPDONWGG-ZLNRFVROSA-N 448.523 2.367 30 10 IEEE O=C([C@@H](c1ccccc1F)N1CCOCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221308 VTHNCSYRAQQNFC-HXUWFJFHSA-N 441.459 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(CC#Cc3ccc(F)cc3)CC2)CC1 1655121441 OUXSYBYICSNKRP-UHFFFAOYSA-N 430.524 2.468 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 1656638533 YEDGXPDFRMKNCN-ZWKOTPCHSA-N 442.459 2.415 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)CC1 1667291294 VBGIFYYQZUCVCY-UHFFFAOYSA-N 435.546 2.252 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1c(Br)cncc1Br 1670882310 KCYQYTXKUNPHAA-UHFFFAOYSA-N 441.145 2.007 30 10 IEEE C=CCC(C)(C)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1673085211 LRQBHAPABLXWEC-UHFFFAOYSA-N 438.594 2.049 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1682697647 KDJWBPROBVECNR-UXHICEINSA-N 444.557 2.374 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1684561614 PCZLDBUGLSZSRG-MRXNPFEDSA-N 426.452 2.047 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1689861311 SQQGQRXMEAWAIB-OAHLLOKOSA-N 438.561 2.094 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689986501 REUWYPDUCIODSL-SQNIBIBYSA-N 446.548 2.384 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1690060954 MXWOKCLORYKSSM-SFHVURJKSA-N 437.342 2.049 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690228497 YKLPYDUZSQSQPE-KBPBESRZSA-N 433.372 2.094 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1690296636 BXMVFRHXAIOVGU-KSSFIOAISA-N 431.459 2.011 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690305069 WKLFKMRQBFGBHQ-UHFFFAOYSA-N 442.564 2.184 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC)C1CC1 1690545847 ZTPDAACSFKETHA-KRWDZBQOSA-N 448.568 2.268 30 10 IEEE C=CCn1c(N2CCC(NC(=O)c3ccoc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1690653520 VMFACNQVGFWMNC-JOCHJYFZSA-N 429.521 2.416 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CC[C@H]2COCCO2)n1 1693410579 MRTVRJPTHGWUAK-NRFANRHFSA-N 435.532 2.453 30 10 IEEE CN(CCC(F)(F)F)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1696775960 YTPZDGPTBPLDIW-ISLYRVAYSA-N 449.437 2.179 30 10 IEEE C#CCCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705522252 ZCMNVSDTFNTOAK-XXBNENTESA-N 444.580 2.163 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)c2ccccn2)CC1 1705635315 WAZLKPIUKYHHER-XMMPIXPASA-N 438.576 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](COCC)C1 1705936512 SATZYJGJWGSCII-ROUUACIJSA-N 426.583 2.373 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1706745111 UBFYZGLTJFJZJV-FHLIZLRMSA-N 446.939 2.140 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1708650663 JDZYLALITRRKCL-PNLZDCPESA-N 439.495 2.250 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCN(C(C)C)CC2)n1Cc1ccc(C#N)o1 1712646562 WETALVQQVGAIEN-PXNSSMCTSA-N 428.537 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1722297251 YRSJWIRIRSZTKX-WBVHZDCISA-N 432.546 2.094 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCNS(=O)(=O)CC 1722344652 AEQKNEOPZQHLSX-UHFFFAOYSA-N 446.396 2.168 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCC2)c1 1722449320 UFENGLOZROSUJB-IBGZPJMESA-N 438.532 2.080 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722551154 YBQNGOLUGQFPTB-INIZCTEOSA-N 429.912 2.168 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1722566645 WEWUFAIGFSXVJP-VQTJNVASSA-N 430.597 2.271 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1722583256 NGHCNECXVQAGKG-HBGVWJBISA-N 437.610 2.498 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1722629410 QIZLOQKYYFIUKD-QHCPKHFHSA-N 443.523 2.230 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1722711731 HXBRQTDESDFDFU-FQEVSTJZSA-N 447.543 2.461 30 10 IEEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1722892262 HYUYIUZCNHVZON-OAHLLOKOSA-N 436.545 2.326 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1-n1cccn1 1723785155 GWTBKNCMKNMEEE-INIZCTEOSA-N 441.499 2.146 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)CN2CCOCC2)CCOC1 1723878916 ITXBWSONIIEBAH-AUSIDOKSSA-N 446.596 2.027 30 10 IEEE C[C@@H]1COCCN1CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1 1726752008 HBYXOLBVJLMMLS-LJQANCHMSA-N 431.544 2.493 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1N(C)CCCC1(C)C 1727606998 HLNMTSZPFBWFIP-MJGOQNOKSA-N 437.596 2.338 30 10 IEEE Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC(F)F)c2ccccc2c1=O 1729603825 MTKXUYTWEOCCRQ-HXUWFJFHSA-N 447.421 2.263 30 10 IEEE COCCOC1(Cn2c(-c3cnccn3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1730881302 QHIACVCYZFLESO-UHFFFAOYSA-N 441.536 2.077 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCCO)C1 1731178121 GHTCXXYJNCPBDY-FQEVSTJZSA-N 434.903 2.466 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CC(=O)NCC(F)F)c1 1731182026 JYXAEURBKJZLDQ-QGZVFWFLSA-N 444.486 2.329 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1740538529 HSQSTKZJEMZOFN-QGZVFWFLSA-N 443.573 2.209 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740565722 ZZTJANXHJTYPQV-SFTDATJTSA-N 443.640 2.215 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1740592577 ZQLWCFQSOPGJNL-QYZOEREBSA-N 435.594 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCN(C)C1 1740644149 VFIHONGHUCFXLF-VWLOTQADSA-N 435.572 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740769028 YVTVSMMNCJRPFY-GKAYAJSDSA-N 448.564 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740955999 KGGUGDIJIWSQBA-INIZCTEOSA-N 437.504 2.331 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC[S@@](=O)C(C)(C)C)CCOC1 1741127147 YAWRIOPLQFFJTB-FLMDJSIISA-N 425.599 2.462 30 10 IEEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1741374468 CQKHXQNNRPDUBE-XMTFNYHQSA-N 446.552 2.155 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CC1 1748649309 MWBFFEQQEDQOQO-QGZVFWFLSA-N 425.533 2.285 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1748809893 QFOKMIYJCCECMI-GOSISDBHSA-N 439.541 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1749054629 WQSUJZUSQVOAJY-MAODMQOUSA-N 437.610 2.212 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1749508495 SEGSLDUGMINRBJ-UTKZUKDTSA-N 438.594 2.298 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC(C)(C)C1 1750140844 PFCSPFZJTQDTLD-OALUTQOASA-N 446.596 2.243 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCNc2ccccn2)cc1 1750383667 ZZKOHKYSTVAZJW-UHFFFAOYSA-N 430.516 2.416 30 10 IEEE Cc1nccnc1CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1751814874 DCJKIRBPNITFFP-RTWAWAEBSA-N 429.500 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1760125504 ZROIQQHUKOSJLY-IRXDYDNUSA-N 432.546 2.291 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760138413 XYBFWVKMIYEBLG-ZWKOTPCHSA-N 427.553 2.414 30 10 IEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1760178066 YDPOZIDWFABKET-QHCPKHFHSA-N 441.601 2.443 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189460 JAVYLEFECPQAJH-LMMKCTJWSA-N 448.614 2.372 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)CC 1760241799 KABWGDDAWOWABH-GOSISDBHSA-N 434.537 2.386 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(CC)noc2C)CC1 1760264142 CRZUJSNQXLEJDX-UHFFFAOYSA-N 445.527 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@H]2CC)CC1 1760265112 OCOMFBGVTZXNCF-IEBWSBKVSA-N 428.581 2.208 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1760277477 LXALETMKDITNQD-NRFANRHFSA-N 429.546 2.030 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nc(C)no2)CC1 1760348600 DLGSTQRFBZYOEM-UHFFFAOYSA-N 429.525 2.182 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnccn2)CC1 1760378361 HXUQJSZZOUDQPK-UHFFFAOYSA-N 444.952 2.139 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCOCC2(CCC2)C1 1760526274 JOZVYSKPRVYZLU-UHFFFAOYSA-N 425.533 2.475 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CC(OCC)C2)C1 1760546401 NUTXSLYLLWIBFR-MPQSDHOMSA-N 433.578 2.345 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1760848911 RVFVKPASQXZYJH-QGZVFWFLSA-N 432.475 2.449 30 10 IEEE Cc1ccc([C@@]2(O)CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C2)cc1 1761731570 MHUPZGUMFCPGLD-HSZRJFAPSA-N 434.500 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1772659861 JFHHMMAPYHRDRH-KRWDZBQOSA-N 449.964 2.010 30 10 IEEE CCS(=O)(=O)N1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)(c2ccccc2)CC1 1772791687 XBWYYLPFZGSXKD-UHFFFAOYSA-N 442.493 2.124 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOCC2(C)C)CCOC1 1772844861 GGJVPBCMSSNLNS-HSZRJFAPSA-N 446.596 2.169 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)n1 1851566354 OKMUDSFDKMIREI-JOCHJYFZSA-N 438.491 2.394 30 10 IEEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@@H](C)NC3CCN(c4nc(C)cc(O)n4)CC3)C2)CC1 1853571877 FYURJPHNRPOTIH-MSOLQXFVSA-N 449.621 2.198 30 10 IEEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855080757 HMIPEEYPNUTJKA-ROUUACIJSA-N 430.574 2.081 30 10 IEEE C[C@H]1C(=O)N(C(=O)C[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855807477 XNIBMFPSGKNFMY-KBPBESRZSA-N 425.457 2.132 30 10 IEEE C[C@@H]1C(=O)N(C(=O)C[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855807480 XNIBMFPSGKNFMY-ZIAGYGMSSA-N 425.457 2.132 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(OC)c(O)c2)c1 1862704776 ITTVVAPEJTVALV-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE COC(=O)CSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(O)cc1O 1874291165 LDZHQODUERJODG-UFFVCSGVSA-N 444.469 2.424 30 10 IEEE NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874421370 JMJHGKBBQQZTIP-UFWORHAWSA-N 446.470 2.146 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2/N=C/c2ccccn2)cc1 1874431534 PPJFAOOCXMRHIV-WYMPLXKRSA-N 437.529 2.485 30 10 IEEE COc1cc(N2C[C@H](CNC(=O)c3ccc(C#N)cc3F)OC2=O)cc(OC)c1OC 1890871772 MKQRZKJQOGQOQZ-AWEZNQCLSA-N 429.404 2.478 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2N)CCN1Cc1ccccc1 1914859313 CBTYLEMYBBACPH-INIZCTEOSA-N 435.347 2.430 30 10 IEEE C#CCCN(C1CCOCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1964018663 ZOXRSVTYPUDNSX-UHFFFAOYSA-N 432.542 2.143 30 10 IEEE C=C(Br)CS(=O)(=O)NCC12CCC(NC(=O)OC(C)(C)C)(CC1)CO2 2054343702 TZAJAAVWVMMOQY-UHFFFAOYSA-N 439.372 2.421 30 10 IEEE CC1(C)OB(c2ccc(S(N)(=O)=O)c(NC(=O)OCc3ccccc3)c2)OC1(C)C 2081128373 FCCVVVHYJMRAMP-UHFFFAOYSA-N 432.307 2.382 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(C#N)cc1Br 2141243915 KOEUXROAJVHIHO-ZDUSSCGKSA-N 425.283 2.418 30 10 IEEE Cc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c(C#CCO)c1 2145937712 JUQPDJXGSZJCDR-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE CC1(C)OB(c2cnc(N3CCC[C@@H](S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2172773518 CIYOEXNUNMUNKA-CYBMUJFWSA-N 445.188 2.157 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 2237395852 UOXJVFGGAPPKTK-GJZGRUSLSA-N 439.306 2.478 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435077 KDQIGRBENMASHX-HNNXBMFYSA-N 430.376 2.350 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248420718 ZOZDBOSBDIZURN-UHFFFAOYSA-N 437.371 2.466 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248432981 DCNADHYYDGPYIA-GFCCVEGCSA-N 439.343 2.017 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255695172 YCHRRIQRBMJSGC-UHFFFAOYSA-N 441.284 2.271 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2265106421 BDRPBDGFNHQIFS-KKUMJFAQSA-N 431.327 2.313 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267009542 OSSRSRQEADTWIF-UYAOXDASSA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267099881 OIRCWHLHSUYULS-QDMKHBRRSA-N 446.357 2.369 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267101606 JVVMWNMIIOJPKB-MRXNPFEDSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C2COC2)C1 2267482346 BWGNVIZNVNWNJF-UHFFFAOYSA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267485282 FZPMJMPOVURZNT-QFIPXVFZSA-N 449.332 2.460 30 10 IEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267503794 JJMBOXCADXEOQN-GOEBONIOSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267513311 MYCTWRUTVHCUFX-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267529129 XGWTYPUFEVIBLO-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2267536551 CTTAISWLQAAEGE-HUUCEWRRSA-N 448.373 2.093 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267547560 MAFQWSSMXSAHEM-AWEZNQCLSA-N 446.357 2.151 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879440 HLCXNAUCCUZHFQ-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](COCc2ccccc2)C1 2315538233 GOUILRMORVQYTG-GOSISDBHSA-N 425.338 2.398 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)cc1 2328565522 GFCAWEIOJYTASJ-UHFFFAOYSA-N 439.497 2.425 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2328619364 YUIVLKVIGKDITI-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2329260450 VZRJMDXKBSEMLC-UHFFFAOYSA-N 426.458 2.245 30 10 IEEE Cc1ccc(CNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 9860508 JDOGCIILKKZCCF-RBUKOAKNSA-N 429.567 2.343 30 10 IEEE Cc1nn(C)c(NC(=O)Cn2cc([N+](=O)[O-])c(-c3cnn(-c4ccccc4)c3)n2)c1C#N 20294243 UNNTYFUAIODUNJ-UHFFFAOYSA-N 431.416 2.196 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)c1O 21318832 YVWUJGWHKZZFHG-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 27901438 PTCCWZXVKDGGHQ-VWLOTQADSA-N 438.547 2.293 30 10 IEEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F 254847252 WSTCUESNIBAYAD-VXGBXAGGSA-N 436.433 2.172 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)ccc1Cl 437410494 TYVZQSCCVGVALO-ZDUSSCGKSA-N 440.934 2.446 30 10 IEEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440378135 JTFHAVCOCCCHRS-INIZCTEOSA-N 425.510 2.062 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 460293717 OICWHZQVXARBPP-CALCHBBNSA-N 443.525 2.165 30 10 IEEE COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460619060 OBMLVADOTDDETM-IBGZPJMESA-N 444.495 2.628 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 460809318 MNUZFVOZWDTSBY-MRXNPFEDSA-N 425.580 2.275 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cn1 461288206 BQHZRLWGTNPZFC-UHFFFAOYSA-N 430.468 2.395 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cn3)cc2C1=O 462631699 OVKCAYMJUGIADQ-UHFFFAOYSA-N 442.497 2.193 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCc3csc(CC(=O)NC)n3)nnc12 468068646 LTONXZVUPKTNFI-UHFFFAOYSA-N 426.527 2.268 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 471801315 WIWBCVMDFSIJFA-UHFFFAOYSA-N 428.470 2.184 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)c1 481016790 BDZLUMRLTZTGFZ-FQEVSTJZSA-N 447.488 2.282 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 492437835 WUNSGVDHFZXHMP-UHFFFAOYSA-N 435.450 2.260 30 10 IEEE N#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)C1CC1 505976631 MYBKKTAVOKUPHW-QFIPXVFZSA-N 438.553 2.225 30 10 IEEE CCc1c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 514006686 PIADMEYBDHCTCM-PKOBYXMFSA-N 431.496 2.107 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1C 554726432 KNANRXOGLVWFDQ-UHFFFAOYSA-N 429.542 2.471 30 10 IEEE COc1ccc(OC)c([C@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 556736314 FNHLFBACJYZEJS-LJQANCHMSA-N 429.498 2.217 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 558980726 JYHIKAJHUVBVLP-QGZVFWFLSA-N 441.561 2.256 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 568037522 ARDBBHVRNOUJFX-UHFFFAOYSA-N 440.504 2.059 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(I)cc2C)CC1 609843449 GQOMLVJOFASTRO-UHFFFAOYSA-N 442.301 2.051 30 10 IEEE COc1cc2c(cc1OC)CCN(CN1C(=O)N[C@@](C)(c3cccc(C#N)c3)C1=O)CC2 725768335 AMAWQKUHMAIWDG-DEOSSOPVSA-N 434.496 2.401 30 10 IEEE C#CCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 729330690 CWKLLZIHNXXPLC-SFHVURJKSA-N 427.482 2.469 30 10 IEEE Cn1cnnc1Sc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1Cl 733893649 GDOLFBPVAIAFED-WUKNDPDISA-N 432.893 2.475 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734292368 KVYAVMQXXFSPJY-GOSISDBHSA-N 441.509 2.375 30 10 IEEE COc1ccc(CNS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)cc1C#N 746680281 JADMHHCYGHMRLK-UHFFFAOYSA-N 437.543 2.342 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 747583037 VJLBIDGJISXNHH-JHHGQVAESA-N 438.406 2.315 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)cc1 755484484 DHVRWBVQAKOXBB-GOSISDBHSA-N 442.537 2.252 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)O 757361038 NYSMHEOTWDCSIB-GBXCKJPGSA-N 438.480 2.422 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(c3nnc4ccccn34)CC2)C1 758750494 FXANFYBTZDCFLV-IRXDYDNUSA-N 439.520 2.377 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)CNC(=O)c2cccnc2)n(-c2ccccc2)c1C 767614488 VIKFPRYELOSNES-UHFFFAOYSA-N 431.452 2.273 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)C1=O 771583785 WCEDWPXECQNOHV-MWTRTKDXSA-N 434.452 2.118 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 783527095 WJGZXELMKWHIFW-LJQANCHMSA-N 428.533 2.421 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)n1 788368952 CNXJGCRCGMHKIE-NRFANRHFSA-N 429.908 2.043 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 788578046 UFZRHUCPVMXWOS-PESPDQJRSA-N 447.561 2.024 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)n(C)n1 790012642 UQMSBILKCURKPA-SFHVURJKSA-N 446.552 2.067 30 10 IEEE N#C[C@H](C(=O)CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1nc(O)c2ccccc2n1 796145706 NONVMCDUTGLIKV-DZGCQCFKSA-N 449.433 2.292 30 10 IEEE C[C@H](C(=O)OCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)n1cnc(C#N)n1 798743574 ITCPYOUOKHVJMF-SPLOXXLWSA-N 443.891 2.404 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)C1 808758078 XGWHAGZNOZMNNH-OAQYLSRUSA-N 434.562 2.450 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 823913749 BVTLTUBJTYFSJI-HNNXBMFYSA-N 435.436 2.170 30 10 IEEE COc1ccc(-c2cnc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)o2)cc1 920888811 GFLAKPILUHEUSP-UHFFFAOYSA-N 427.438 2.244 30 10 IEEE C[C@@H](NC(=O)CSc1nnc(NN=Cc2cccc([N+](=O)[O-])c2)n1N)c1ccccc1 1083894755 BRKHKHQVENYDBW-CYBMUJFWSA-N 440.489 2.316 30 10 IEEE COc1cc(OC)nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)n1 1125239120 WOMBIIJHUBEXRX-JLPGSUDCSA-N 447.517 2.339 30 10 IEEE CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1138775042 IQKUYEAFGUXGMV-UHFFFAOYSA-N 437.518 2.271 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 1142397953 BURMCXAIOXIEND-PKOBYXMFSA-N 447.557 2.070 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-n2ccccc2=O)cc1F 1147098435 WMIHWZMRQGUAEN-CQSZACIVSA-N 440.456 2.154 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C 1150140077 GFZMPYVBOZDUAI-NPPFBWRTSA-N 440.569 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](N2CCOC2=O)C1 1165507634 GMGHLFUMKFSLHP-IEBWSBKVSA-N 440.500 2.446 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)c1 1191669587 FWIFJJLJZBQZQZ-OAHLLOKOSA-N 428.514 2.172 30 10 IEEE C#CCN(C(=O)NCCc1nnc(S)n1CC)C1CCN(C(=O)OC(C)(C)C)CC1 1251760077 WXDXTDCWKGXHGU-UHFFFAOYSA-N 436.582 2.174 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2sccc2CC#N)c1 1266378984 WOKHGWIPSAFQCR-UHFFFAOYSA-N 434.543 2.153 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1286275817 UVUKILCOMKSYON-AWEZNQCLSA-N 425.924 2.410 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCC1 1286365951 NZXSOLUFRKKCIS-UHFFFAOYSA-N 431.562 2.082 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1286386815 HYBKWQWVXRZLQS-IAGOWNOFSA-N 431.587 2.110 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC2CCCC2)CC1 1286492905 KWLAOZOVMCDNFZ-HXUWFJFHSA-N 443.592 2.487 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC(C)C 1286524779 OUZDWMGWPFBMSQ-JOCHJYFZSA-N 429.590 2.497 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286544493 IMQDYWDYOOGFAH-KRWDZBQOSA-N 437.367 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)C)CC1 1286550454 CRNALYGJGWPNMI-UFYCRDLUSA-N 449.596 2.288 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1286767068 FEDYTJJMQOUWID-UHFFFAOYSA-N 429.546 2.423 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286775314 BSTAWFIWNGLADP-UHFFFAOYSA-N 438.557 2.269 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(F)F)CC1 1286791864 FSCKHVQIODSGBV-UHFFFAOYSA-N 448.518 2.163 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1293097310 GHHJJIWBONNFPC-UHFFFAOYSA-N 435.507 2.233 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC[C@@H]1COCCO1 1293100023 FNPGNELJPMFPDB-QGZVFWFLSA-N 430.940 2.498 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1299187117 QZCCFYJLRNVOAS-GOSISDBHSA-N 432.532 2.238 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1300268970 XPMILUCMRHIRRS-INIZCTEOSA-N 441.499 2.321 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1300304974 REDISOWNJKKIAU-MRXNPFEDSA-N 435.532 2.048 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300411773 XCUUFZGZLASCNG-RTWAWAEBSA-N 442.608 2.109 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCCCC1 1300521480 XVUOUWVDLVDBGY-FQEVSTJZSA-N 443.559 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCCC 1300579847 XXMDRMIBODZILO-UHFFFAOYSA-N 445.571 2.387 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1300602183 AAHXZQBPIAWJDH-NFBKMPQASA-N 433.597 2.135 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300907106 CDRKDBZBRGSVHP-MRXNPFEDSA-N 447.561 2.358 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1301032941 BZOMPVKXDYNHDL-QZTJIDSGSA-N 433.004 2.426 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301268077 GNVRSPDMUMXSMN-KRWDZBQOSA-N 446.577 2.051 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CC)C1 1301477531 BPWOYVMANITWOH-GOSISDBHSA-N 426.521 2.065 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CCC(C)(C)C)CC1 1301508411 KIKCWPAOVWAWIX-UHFFFAOYSA-N 425.581 2.124 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)cc2OC)C1 1301534931 GEGUPOIIPQIIPA-SFHVURJKSA-N 429.521 2.263 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2ccnc2)C1 1301536189 SAMCPBCJAKTMAY-LJQANCHMSA-N 435.532 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1csc(CC)n1 1301589628 UZKJLJAGGTUUJE-AWEZNQCLSA-N 425.580 2.038 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1301612398 LVLLYEZVSSKTKG-QGZVFWFLSA-N 440.635 2.495 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1301651296 AVZUCYYFQJNMLU-UHFFFAOYSA-N 436.520 2.273 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)C[C@@H]1C 1301886781 BBDMIJKNTSQBPM-SFHVURJKSA-N 447.543 2.426 30 10 IEEE CSc1ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1C#N 1303626172 VDJTZHZAAIPNEZ-MRXNPFEDSA-N 430.917 2.224 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1304903027 DJDJKWFAMRWZBD-QRQCRPRQSA-N 436.541 2.453 30 10 IEEE COC(=O)C1(C2(O)CCN(C(=O)CCCOc3ccc(C#N)cc3OC)CC2)CCC1 1305355504 QWNZDGWCMRITJV-UHFFFAOYSA-N 430.501 2.423 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1305643050 GPQZPPXLGHUVKK-GOSISDBHSA-N 447.543 2.495 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(=O)NC)c1 1305754071 COGXIRLRVDWCJG-JOCHJYFZSA-N 441.511 2.046 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)OC 1305783093 HNDRHTQIJZQUAA-QGZVFWFLSA-N 439.564 2.430 30 10 IEEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1305802521 DBAXCTZKSGEHBB-FQEVSTJZSA-N 439.564 2.035 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1310862881 ZEWUVHNLMAQSBF-KRWDZBQOSA-N 445.335 2.435 30 10 IEEE CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1313496337 GEIWKJDUUQPRDJ-UHFFFAOYSA-N 425.512 2.094 30 10 IEEE CCn1cccc(Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C#N)cc2)c1=O 1313847137 AOPOPQOZPWINCO-UHFFFAOYSA-N 426.484 2.473 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCSC1(C)C 1314874269 YAGPATNYGOAZOL-KRWDZBQOSA-N 448.618 2.334 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCC(F)F 1314895549 PJOXYNFYLODMMN-LBPRGKRZSA-N 445.268 2.057 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(NC(N)=O)cc1 1316271839 HVPOBNQSQCYVQB-HFTRVMKXSA-N 427.509 2.279 30 10 IEEE COc1ccc(C#N)cc1NC(=O)c1ccc(I)cc1-n1cnnn1 1357186744 XJOFMERUAANBTG-UHFFFAOYSA-N 446.208 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1358871567 HGAYMFIYDBQQBL-CMKODMSKSA-N 444.605 2.183 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1358873517 KJQBRPZHTGABAO-MWTRTKDXSA-N 444.532 2.462 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961806 FLNCYCOQOGOPNL-VQTJNVASSA-N 445.564 2.224 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358966876 YRKHWNXRSLCEPX-FQEVSTJZSA-N 444.601 2.241 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[C@@H]2CCCCO2)CC1 1359029178 QUTFVYNXMLAKKJ-IBGZPJMESA-N 437.548 2.030 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCC2 1359254866 GNQDLSNUGBURAF-UHFFFAOYSA-N 445.531 2.067 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccs1 1359332136 QAUPPPVWXRTGIR-CABCVRRESA-N 435.575 2.233 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nc2c(s1)CCCC2 1360247893 HQQZCIJZSHZAQY-OAHLLOKOSA-N 443.577 2.113 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(N3CCCC3=O)c2)s1 1441398826 WNFMMHQNDLCSQP-UHFFFAOYSA-N 433.555 2.198 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1452490229 RSLBBDJYRKVQAQ-PMACEKPBSA-N 429.565 2.440 30 10 IEEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CC1 1453842246 URINRZPRXPDYLV-UHFFFAOYSA-N 430.551 2.095 30 10 IEEE CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1462995907 AYNJLQUHQDYWAY-SRUXOGRHSA-N 429.586 2.177 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCC2)cc1 1464344107 XRYHQTRNWNXQOA-PTGBLXJZSA-N 435.550 2.024 30 10 IEEE CC[C@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 1468647834 CGXZAXVFKMFONP-IBGZPJMESA-N 445.520 2.328 30 10 IEEE O=C(NCCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 1472618574 ZBWPEMGAZUCBSC-UHFFFAOYSA-N 427.432 2.240 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1504610683 DKQADSOWKNUCIX-IRXDYDNUSA-N 431.468 2.103 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1504958310 FNTVHECSHIQVDE-MRXNPFEDSA-N 439.582 2.099 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1505075343 XWBSUXYQCSYLIJ-UTAOTPEMSA-N 430.553 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CC 1507530325 XKWTYDHQQBQESD-IRXDYDNUSA-N 429.594 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nnn(C)n1 1507540042 COQMIAJBWCJCQQ-OAHLLOKOSA-N 428.928 2.281 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507570058 LYWNYPOKFWDQEP-IBGZPJMESA-N 429.565 2.226 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1507630104 STWPQYVLYVGKEI-QGZVFWFLSA-N 428.514 2.267 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccnc1OCC 1507655886 DKMMWWHCTNMATN-UHFFFAOYSA-N 425.496 2.431 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507797561 DMYDEJTYMYTDAV-LNLFQRSKSA-N 431.562 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)[C@@H](C)C1 1508081273 IRAOGSBKMBLOFW-INIZCTEOSA-N 432.956 2.058 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@@H](C)C2)cc1 1508095965 AEHCOCMFWBGXPU-IRXDYDNUSA-N 449.577 2.117 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1508100185 GFRJSARSPIXYFJ-HKUYNNGSSA-N 425.533 2.452 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C1CC1 1510018181 HOOOOGHNBBONSW-OXJNMPFZSA-N 442.589 2.313 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)c1 1518043354 KPCMBOKTJDBRGN-UHFFFAOYSA-N 428.537 2.280 30 10 IEEE COCCn1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)cn1 1519187248 MBQZWFMFYBMCER-OAQYLSRUSA-N 445.449 2.480 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@@H]2CCCO2)CCO1 1521122810 ZYIDOGBZEOTPMJ-OALUTQOASA-N 442.476 2.168 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1525698932 YTFJDOKKHUAVGY-JPYJTQIMSA-N 425.485 2.341 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1536465942 BMDGEODEKRDRDR-RVKKMQEKSA-N 437.587 2.344 30 10 IEEE COc1ncc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C#N 1538154779 GOSLPUBYOAZNGK-IBGZPJMESA-N 442.497 2.346 30 10 IEEE Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1538719694 TTWNFRGSSHUELU-UHFFFAOYSA-N 427.486 2.024 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCC(=O)N1CCOCC1 1539035427 PBTISKMFUGSGQY-QGZVFWFLSA-N 443.573 2.286 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1539306435 XYHGPIOHFCDUFA-UHFFFAOYSA-N 446.960 2.001 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cnnn1C 1539399794 SWTBFZTVHYTCON-UHFFFAOYSA-N 448.300 2.110 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539430035 GOMTZPAMZXAJQC-ZWKOTPCHSA-N 442.530 2.200 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539758561 OMTFLFFTKKKUDE-QGZVFWFLSA-N 448.568 2.097 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCN(C)C 1546517208 HSOLBZKLJBVZSA-UHFFFAOYSA-N 425.581 2.003 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547680133 CKZVOKPNVJLEOB-HMXCVIKNSA-N 445.612 2.053 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCCC[C@@H]1C 1555753012 JWAWDDNKMGKLDJ-BURNTYAHSA-N 446.596 2.385 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1556564523 QWVRETPGWBAOIP-CRAIPNDOSA-N 440.591 2.158 30 10 IEEE C#CCOCCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1558866867 WEWBRZDRYOEIKC-UHFFFAOYSA-N 444.509 2.371 30 10 IEEE C#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)c1 1562073864 FOJFNDAYDHNARB-UHFFFAOYSA-N 445.497 2.203 30 10 IEEE Cc1cc2c(cc1NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)sc(=O)n2C 1584153385 HRBOXLAUFUKKRJ-UHFFFAOYSA-N 444.538 2.366 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1587620212 BLWHCAKDXCZKQE-IRXDYDNUSA-N 436.516 2.109 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCO2)n1 1588723044 JAMBYDXBAGONJY-UXHICEINSA-N 428.537 2.181 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)CCCC)CC1 1588848981 TYJFGRLJGTUSSZ-UHFFFAOYSA-N 434.592 2.004 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1588969237 YRHSKUFGBHZFGS-UHFFFAOYSA-N 429.546 2.231 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1589060206 OOEBHBZPAZRGOO-NQIIRXRSSA-N 430.578 2.372 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1594963390 SEVQFJIHDWFEFG-ZWKOTPCHSA-N 445.589 2.338 30 10 IEEE CCOCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616841010 WPUFLQSZWBMBPE-CMTMBAJVSA-N 442.442 2.120 30 10 IEEE Cc1cc(CN(C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)cc(S(N)(=O)=O)c1C 1619638735 GESHAVOVFVMVAE-NRFANRHFSA-N 443.569 2.421 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1623969470 LOAXQRPFSPIJIU-JQHSSLGASA-N 444.391 2.486 30 10 IEEE COC(=O)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1625226759 JAESLNMCBJUPPL-GOSISDBHSA-N 428.489 2.303 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCC[C@H](C)C1)c1cc[nH]n1 1629974141 OWSHRNPFPXOZJJ-KRWDZBQOSA-N 441.532 2.242 30 10 IEEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)c1ccccc1 1630915125 ZWSOEJAASNXVBF-OALUTQOASA-N 432.929 2.364 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)C1 1633382113 NACBVQHDHRLGOA-AZUAARDMSA-N 444.329 2.358 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)nn1 1636330555 HVIJHCHQYPIVCU-QGZVFWFLSA-N 434.541 2.070 30 10 IEEE O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N[C@@H]1CCN(O)C1=O 1637458016 FGOIYBRNWSMUST-MRXNPFEDSA-N 427.461 2.272 30 10 IEEE C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641404621 MHECMFPGZGUOPU-OPAMFIHVSA-N 444.557 2.171 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 1642484197 LBAIYPLAPCORGK-RXVVDRJESA-N 425.554 2.096 30 10 IEEE Cc1ccc(NCCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1646255901 ODBCCBMGYMLVEV-KRWDZBQOSA-N 429.546 2.072 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C2(CC2)C1 1648022622 FSHHWZGLVDIGBZ-MRXNPFEDSA-N 437.493 2.252 30 10 IEEE COC(=O)c1cc(F)ccc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1655845860 HQKKMTUUGGGZLH-UHFFFAOYSA-N 431.489 2.427 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 1658188046 OCJFTWAGQSWOOW-UHFFFAOYSA-N 434.562 2.089 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 1666390443 FYIUTTOYOLSMQV-UHFFFAOYSA-N 439.497 2.112 30 10 IEEE CN1CCOC[C@@H]1CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1684582378 QYSMTEMZFORJOO-IVZWLZJFSA-N 425.320 2.129 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1687205625 CESYKRZXESBYKO-KRWDZBQOSA-N 443.935 2.146 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1689873672 RPSGIQLNYBXIGU-UHFFFAOYSA-N 429.594 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCS(=O)(=O)C1 1690006690 XGLRWQNCTUSUGC-OAHLLOKOSA-N 447.358 2.215 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)COC1 1690108028 MTEXOMXRSLKXDI-CALCHBBNSA-N 433.553 2.171 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN2CC)CC1 1690117514 KAQJSENXVOYNSI-HXUWFJFHSA-N 438.576 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1690251791 ZICQPCWNLXMRCQ-RXVVDRJESA-N 443.596 2.472 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1690253168 NJAHYMNWHFBACG-WFXMLNOXSA-N 425.533 2.458 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690474183 VAKQNNXERHHGAC-VQIMIIECSA-N 430.505 2.289 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690659349 QDYLPJUDHMFTBD-APWZRJJASA-N 440.548 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2cccs2)CC1 1690726682 IRDCSIWYNIYXEI-UHFFFAOYSA-N 435.619 2.215 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1692446491 CMKUTTRSMMAQNZ-KRWDZBQOSA-N 432.475 2.449 30 10 IEEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)CC1 1692848120 BGRPVMDXPPVQKW-UHFFFAOYSA-N 446.449 2.448 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2c(C)cccc2C)CCOC1 1696084965 CIICTSVHPCLNTE-CVDCTZTESA-N 441.532 2.355 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696613085 GRYVCBUIVFCORM-UHFFFAOYSA-N 447.591 2.465 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705517019 NMOSCUZSZURMTH-MSOLQXFVSA-N 430.578 2.101 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1705628538 KCLKUBDFGKHPIL-RTBURBONSA-N 445.589 2.003 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(C)CN(C)C1=O 1705630401 RXIHJMPHBLFWNX-QHCPKHFHSA-N 425.533 2.038 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705895171 WFFNNJPBEZKTLS-PKOBYXMFSA-N 440.548 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705935693 ANOBJDYWADOXLI-HDICACEKSA-N 439.626 2.082 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)cc1OC 1712648574 XKGZQMFSVHYUBL-BJLQDIEVSA-N 427.505 2.096 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1722339502 VGAHYCDOGJCFGY-UHFFFAOYSA-N 425.533 2.476 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722373017 CYZKNFGDIISCPC-TZIWHRDSSA-N 439.585 2.174 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)C(=O)NC 1722418801 DFNXSRZXNTXWAS-UHFFFAOYSA-N 440.548 2.005 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1722527928 CHEKDFPDBBYOAN-SJORKVTESA-N 449.577 2.269 30 10 IEEE C=C(C)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553135 DSQDKTMSIVWOKM-DMPWYTOCSA-N 430.553 2.341 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1722566654 WIZWXMILMHYSCX-SFHVURJKSA-N 431.562 2.237 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722705179 BTXSBEZSGWETTI-LJQANCHMSA-N 443.548 2.419 30 10 IEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)N(C)C 1723244568 AXALMXFHHYCAND-UXHICEINSA-N 436.564 2.007 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)[C@@H](C)C1CCC1 1728298050 YXBMMCVEBXMENV-AOMKIAJQSA-N 443.573 2.381 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C)CC1 1730871681 VTSBOIDVMYMDBD-DLBZAZTESA-N 440.552 2.179 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCO[C@@H]1CCOC1 1730950105 ZQDMTRLAVJNMGC-WEMPKCCASA-N 433.553 2.328 30 10 IEEE C#CCCCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1740580112 YXJXBSIPVSEPAA-WMZHIEFXSA-N 431.581 2.427 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1740591344 OMFYCMAPRCBFEE-FQEVSTJZSA-N 442.585 2.470 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cnnn1C 1740665632 KVMPTJCUXLDFHW-UHFFFAOYSA-N 430.310 2.353 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCO[C@H](C)C1 1740684665 YEDILOBIXJWMLN-IAGOWNOFSA-N 436.516 2.495 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(F)c(F)c2)CC1 1740698331 RLRRPNAFGIGAQU-UHFFFAOYSA-N 438.482 2.376 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC[C@H]2CCCCO2)CC1 1740706308 VQRSZQKSSZVITH-VQTJNVASSA-N 429.565 2.097 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740722303 GLXNGLRZULEENG-DENIHFKCSA-N 433.622 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740750106 LTUBGZNHBNMNFL-HBFSDRIKSA-N 446.596 2.283 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1740897633 OZLQAHWECTYVGR-UHFFFAOYSA-N 437.548 2.019 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)C1 1740952500 GPIQRFNUDYUYQS-HXUWFJFHSA-N 438.576 2.427 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncnn2C(C)(C)C)C1 1740971581 ZPBVVWQWXIPBTQ-KRWDZBQOSA-N 444.584 2.373 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](OC)C(F)(F)F)C1 1740984320 ZTPHFLNGYLAXJL-CABCVRRESA-N 431.459 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740991436 WNXKZOQFORXRNB-HNNXBMFYSA-N 436.607 2.096 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1741795901 CCAHGZMDVGFNSW-OAHLLOKOSA-N 445.549 2.021 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CCN1CC(F)(F)F 1743253594 BXTDIUFMCBQMKB-AWEZNQCLSA-N 445.453 2.066 30 10 IEEE CC[C@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1744804268 JDCNLQOHFWGNMQ-LPHOPBHVSA-N 446.577 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCn1cc([C@@H]2CCOC2)cn1 1748839018 MDLUJOKKYVEMOC-LJQANCHMSA-N 430.512 2.427 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748948879 ZRTREJBNWPBKRP-KRWDZBQOSA-N 426.569 2.162 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc(C)cn2)CC1 1749000596 YNNNDEMTQVJOKQ-WOJBJXKFSA-N 425.581 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C)COC2)CC1 1749014431 JQVDIUPQAPLIDT-UHFFFAOYSA-N 443.498 2.149 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749115699 UVMJFINSXDNYIK-QYZOEREBSA-N 446.596 2.139 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]1CSC 1749671174 ZKWPTLIMEJQJQA-QAPCUYQASA-N 429.546 2.425 30 10 IEEE COCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1749702594 PEBAZXHXZNJBPL-QFIPXVFZSA-N 443.552 2.104 30 10 IEEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1749726549 WBIWPXARZWGNDM-QGZVFWFLSA-N 443.939 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(Nc3cccnn3)CC2)nnc1C(C)(C)C 1749739898 MOFKKUBFKQGREV-UHFFFAOYSA-N 433.582 2.047 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1750052982 KQPUBNDKYLVFCS-LJQANCHMSA-N 439.520 2.285 30 10 IEEE CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1 1750058454 CVZOULPVJHEPBR-KRWDZBQOSA-N 440.529 2.499 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)F 1750075961 KCPIUOHVWKATDJ-HNNXBMFYSA-N 434.495 2.330 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)C1CCC1 1750645018 DJCQQPMGTXHGNY-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCOCC1 1760100960 GDHSOTJXHUSZKO-OAHLLOKOSA-N 430.578 2.431 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760138381 XJRIIJKGKOXEBI-KRWDZBQOSA-N 426.521 2.281 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(CC)C(=O)OC(C)(C)C 1760160654 IRNVRGHIYJGEJT-UHFFFAOYSA-N 427.509 2.252 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760177819 OXZXSIVKTVGSQF-UHFFFAOYSA-N 447.587 2.466 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(OC)nc2OC)CC1 1760258782 RXUJILBDFHZXDT-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1760326304 VRSNAFROHVFTNX-WIYYLYMNSA-N 446.573 2.116 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1760400776 NGLZPKGKGCCYNP-LJQANCHMSA-N 443.573 2.278 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760445986 BYRODOCQYDYKQB-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760450964 WOEFJOMXBRWCDP-AVRDEDQJSA-N 430.553 2.250 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)nc1 1760498864 HKDVUIQAVLBFON-UHFFFAOYSA-N 442.527 2.456 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760515499 VTFFKNOPFNJVRF-QFIPXVFZSA-N 434.585 2.140 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760516017 VGQNUYTVCMKRIV-KBPBESRZSA-N 439.969 2.159 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760518705 DAIGESBTVULVSR-LJQANCHMSA-N 429.484 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760551019 QUVUWDVCOYIEAX-NVXWUHKLSA-N 441.598 2.317 30 10 IEEE CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cn1 1764938057 CINFLZOPYPMOQS-AEFFLSMTSA-N 445.593 2.066 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC2(C)C)C1 1765671817 GUWGUPNPTNXWPV-MSOLQXFVSA-N 428.562 2.381 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCCC1(C)C 1771109108 DOPWREJBTJPTDN-JOCHJYFZSA-N 441.536 2.233 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 1771533894 CZELJVVBKCHSAO-UHFFFAOYSA-N 443.502 2.200 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CCC#N)Cc3cccnc3)C2)cc1 1851696296 YRGZJLGGVMDITM-LJQANCHMSA-N 442.541 2.433 30 10 IEEE CCc1cccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)nc4)CC3)nn2)c1 1851950628 JEVVNUHTZYUYRJ-UHFFFAOYSA-N 429.484 2.131 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCCO2 1862630870 CUOOMZVLEWLWCV-ODXCJYRJSA-N 439.420 2.146 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1866581173 ZUMLUIZYTBZOPR-OXQOHEQNSA-N 443.500 2.188 30 10 IEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCCCCC2)cc1=O 1870385346 SWNMJJORWPYNMR-UHFFFAOYSA-N 431.558 2.485 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc(F)c2)[nH]1 1871542646 CVWDPKRCRCRJBG-UHFFFAOYSA-N 425.512 2.201 30 10 IEEE N#Cc1ccc(NC(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 1891164056 NZUUNRSKZPKINF-UHFFFAOYSA-N 439.483 2.495 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1986020557 UASMIHSTGVJERF-HUUCEWRRSA-N 427.542 2.332 30 10 IEEE C[C@H](OC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1)C(=O)Nc1sccc1C(N)=O 2040482848 APKNJPUMAGYLGC-JTQLQIEISA-N 447.435 2.074 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2214618896 KQQMIRCQCUYRNN-LTIDMASMSA-N 439.553 2.142 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#CC(=O)O 2229119717 FWJMVOQQAOHZEG-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247772946 BYFPGAIMRGQAMK-GJZGRUSLSA-N 438.355 2.069 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2249674096 CBDLVHWTAXFISJ-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255537467 XBQXNSYABZYCFE-ZSOGYDGISA-N 449.382 2.285 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)oc1B1OC(C)(C)C(C)(C)O1 2255622949 HJMDIJZOFOMLAP-ZIAGYGMSSA-N 432.326 2.482 30 10 IEEE Cn1cc(C(=O)NC2CC(COCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255821546 ZVHYKEPLHYISMR-UHFFFAOYSA-N 425.338 2.445 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825595 CBTVTYPQNMWCHT-KGLIPLIRSA-N 434.346 2.132 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255826637 CEUFXVDDTQSYRC-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255838512 HJQMMWZGAUDGQU-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267195471 WRMOZGCUDVBOPG-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2267498483 UYHOPAGNKHHCLV-CABCVRRESA-N 448.373 2.141 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501829 DHHFWAAVCIPDCI-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267516070 XYJCBFVBHFFWNN-GOSISDBHSA-N 438.381 2.313 30 10 IEEE CO[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2267594130 PWBPVRJXRKNTRJ-ZWKOTPCHSA-N 446.353 2.350 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1 2267596400 JLWZJRNICPSOCF-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272636479 LSCQJYRXIAGPPB-IQMFZBJNSA-N 443.353 2.368 30 10 IEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c(C)n1 2296612005 SWMZPPRDSQFSDB-NRFANRHFSA-N 436.512 2.237 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337195315 XDYISKKUFAQART-LJQANCHMSA-N 438.381 2.313 30 10 IEEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc1 20291873 WAOQEOMLJZKGNB-SSDVNMTOSA-N 440.489 2.063 30 10 IEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCCC(=O)NCc2ccco2)n1N 20911991 UDOGANNXYUGQBG-SSDVNMTOSA-N 445.553 2.224 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NC[C@H]3CCCO3)nc(O)c2[C@@H]1c1ccc2c(c1)OCCCO2 256031940 OYASRYXDVRAZBN-JKIFEVAISA-N 437.456 2.158 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(CCO)[C@H](C)C2)nnc1-c1ccc(Cl)cc1 428533766 DUONVESJPFPDLI-OAHLLOKOSA-N 435.981 2.402 30 10 IEEE CCOC(=O)CC1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCCC1 434613299 CDMZDGVNAAQGSC-HXUWFJFHSA-N 430.524 2.390 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C 460941158 WGKFZULRDVNCNM-PXNSSMCTSA-N 441.532 2.444 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 465005784 FCMLNTGRVVFKFN-NRFANRHFSA-N 432.528 2.019 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)n(C)n1 470205451 DOZWVHDSSFZZTN-SFHVURJKSA-N 429.546 2.205 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCCc3ccc(OCC(F)(F)F)nc3)CC2)n1 477448800 DURDPKBVKMNONT-UHFFFAOYSA-N 434.422 2.364 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1Cc1ccon1 480948267 AXPCFHMPIFFRLE-UHFFFAOYSA-N 447.472 2.242 30 10 IEEE CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 484297178 SSZMWAFFGMZVGV-WIOPSUGQSA-N 440.588 2.319 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1F 489119175 WDYJWJYUFJFCPO-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 492352823 DWYZVVZZBWVUPA-UHFFFAOYSA-N 427.526 2.246 30 10 IEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508462163 SVPUWJOTVDYAFJ-INIZCTEOSA-N 439.495 2.164 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(C(F)(F)Oc3ccccc3)n2CC=C)CC1 508907408 MOZFPUMLQUBZPU-UHFFFAOYSA-N 432.475 2.017 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 514522427 SBHASJACKKROJZ-GOSISDBHSA-N 446.528 2.483 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 555171135 UMWXGGUALKTLOT-GDBMZVCRSA-N 441.509 2.115 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3nc(C(F)(F)F)cs3)CC2)c(F)c1 556513039 PDZDTLZQQSTFEC-UHFFFAOYSA-N 427.383 2.460 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(Cl)c1 557852121 MGOYATHEPHZJET-HUUCEWRRSA-N 431.901 2.409 30 10 IEEE C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 559041985 ZMJCUBGZIPPFEI-IBGZPJMESA-N 437.496 2.376 30 10 IEEE COc1cc(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)ccc1C#N 583351275 RPXIXLBOAXJCLC-UHFFFAOYSA-N 428.919 2.243 30 10 IEEE Cc1nc(CN2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)n[nH]1 609849569 WDIOJYRQXQPBQN-AWEZNQCLSA-N 427.578 2.318 30 10 IEEE COC[C@H](C)N=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1cnn(C)c1 727972353 RHWJQOXTRBVGQC-KBPBESRZSA-N 440.529 2.487 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c(C)c1 730714391 XQMSXMFJRUKRQF-SFHVURJKSA-N 429.546 2.491 30 10 IEEE Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)n1 750421680 NCHMTXWEJAVKHN-NSHDSACASA-N 447.274 2.223 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757447772 KMBFBYXXBUZSDM-HXUWFJFHSA-N 436.464 2.128 30 10 IEEE C#CCN(C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 774191367 XZFDMWSHQQLMEF-GHTZIAJQSA-N 436.537 2.495 30 10 IEEE C[C@@H](COc1cccc(C#N)c1)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 777319881 VWTZTVGHMXANQD-MAUKXSAKSA-N 431.489 2.384 30 10 IEEE N#C[C@@H](C(=O)CCC(=O)N1CCOc2ccccc21)C(=O)NCc1ccc(F)cc1F 786558456 CQVIWBYEHVWDOM-INIZCTEOSA-N 427.407 2.496 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCCNc2ncc(Cl)cc2Cl)n1 788868238 UYKQKTYPRUKXCZ-UHFFFAOYSA-N 425.320 2.488 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 792750032 WSTXVIMLNJQUAJ-HNAYVOBHSA-N 446.573 2.115 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)cc1F 794602382 AJMQGIJGNFDOTF-MRXNPFEDSA-N 438.480 2.438 30 10 IEEE CN(C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C1(C#N)CCCCC1 796416717 MEKQFZDHAIWTNB-XLIONFOSSA-N 443.548 2.336 30 10 IEEE Cc1ccc(CN(CCO)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)o1 797616898 ZVKBWCHJBAOKEM-ZBJSNUHESA-N 434.518 2.427 30 10 IEEE CSC[C@@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1 799626165 YJCWFDONJORKOQ-OAHLLOKOSA-N 429.608 2.144 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](CC(N)=O)C1 802551601 WCPOZDNIEAFDFB-GOSISDBHSA-N 426.521 2.372 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2csc(COC)n2)C1=O 809941487 AEEXYFVZZXYZTK-OAHLLOKOSA-N 429.527 2.429 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 916178592 CSZLICKXHMQNHD-UHFFFAOYSA-N 440.506 2.456 30 10 IEEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)COc1ccc(C#N)c(Br)c1 1132922220 ZIJBEWURJMHBRY-MRXNPFEDSA-N 425.279 2.174 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC(=O)N2CCc3ccccc3C2)CC1 1136560406 MCOBOGXNLUOBLK-UHFFFAOYSA-N 425.529 2.338 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1)c1cc[nH]n1 1137619090 VQKJPKHZVWGWTA-UHFFFAOYSA-N 438.488 2.321 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CCOC)C(=O)OC(C)(C)C 1138001876 SIHALZGCCPOJOJ-INIZCTEOSA-N 427.542 2.293 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)ccc2c1=O 1141493591 GHRQKVOMOIWWBP-CNRGFGOASA-N 443.447 2.445 30 10 IEEE C=CCCONC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1149445634 QRDLDAORYBEBCF-GFCCVEGCSA-N 433.324 2.144 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1 1163431436 NEOPNIXXCKIAEX-FGZHOGPDSA-N 426.538 2.458 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCN3CCN(c4ccccn4)CC3)CC2)c1 1164154870 BUQYGGGXVXCQNH-UHFFFAOYSA-N 432.572 2.246 30 10 IEEE N#Cc1ccc(C2(NCC(=O)Nc3cc(-n4cnnn4)ccc3Cl)CCOCC2)cc1 1175277187 QSIBOPOSZPDJMJ-UHFFFAOYSA-N 437.891 2.421 30 10 IEEE C#CCSCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1222088262 MLKKIQAGLWZXQG-QGZVFWFLSA-N 440.610 2.242 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 1254330392 CJMYAIOEDWPUCF-NRFANRHFSA-N 441.576 2.212 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN(CC)C2CC2)c1 1286310259 RTHTZBOOADJCPU-UHFFFAOYSA-N 446.559 2.219 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286335600 DCMSAXZLJIVAFC-UHFFFAOYSA-N 426.565 2.185 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1SC 1286396122 CXCWEBMZHNRBPJ-INIZCTEOSA-N 431.587 2.040 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC(F)F)CC1 1286469837 MZWMPZHYCRCHLD-UHFFFAOYSA-N 446.502 2.184 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286507925 GZFOQAPRBDWMHM-QHCPKHFHSA-N 439.585 2.297 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCn2nc(C)nc2C1 1286544993 QKHXFWWADNVVPB-UHFFFAOYSA-N 435.355 2.463 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286547405 OOIUYMOJMVISJS-XYLMYFKBSA-N 447.580 2.170 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286611353 JWKSJYGIOJMUIR-UHFFFAOYSA-N 443.552 2.195 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@H]2C1)c1ccccc1 1286678466 XNCRGPCTBUJSKD-NHCUHLMSSA-N 438.576 2.297 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286758794 VDUFKMMIEZWFHA-CADBVGFASA-N 435.594 2.226 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(COc2ccccc2)CC1 1286786950 MSYQTKUHNBUYRY-UHFFFAOYSA-N 435.532 2.276 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)C1CCC2(CC1)OCCO2 1286789374 FTUGSAUFAMPRCQ-UHFFFAOYSA-N 431.562 2.355 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1286811440 BODTWBXTESWYGZ-NFBKMPQASA-N 439.516 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)(C)CC1 1286813836 DCAHTXGYLMILCN-UHFFFAOYSA-N 425.599 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](OC)[C@H](OC)C1 1286815792 ACGBVLJFPXUAMG-CALCHBBNSA-N 440.953 2.049 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1290067238 AJHLAJGFXMIFBS-BAQGIRSFSA-N 436.436 2.207 30 10 IEEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1297528320 MVBDSATWGGIWOR-AWEZNQCLSA-N 425.482 2.254 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCOC1 1298799269 ZPSJVIVJZKDFSX-IBGZPJMESA-N 449.353 2.328 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1300305270 TWHNUFVSBRDQLO-MRXNPFEDSA-N 447.543 2.179 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCC(=O)N(C)C)c1 1300333121 WJEGZYMSONRXBF-UHFFFAOYSA-N 445.527 2.265 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1300488989 YIYCWLPMNRJPNU-WBVHZDCISA-N 442.570 2.227 30 10 IEEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1300619375 WUHRKJXLKJGWGW-MRXNPFEDSA-N 426.546 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC(F)(F)F)CC1 1300729247 SAAIRUOWBPUNHY-UHFFFAOYSA-N 435.450 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1301578513 COUAFRAPERHTLA-OAHLLOKOSA-N 443.529 2.027 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccco1 1301584752 DBBQYYQETSLTPR-AWEZNQCLSA-N 447.517 2.397 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1 1301946553 VWAITKNDORUECN-RDJZCZTQSA-N 426.521 2.426 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1302192478 BZXZRGSLUSTFTO-UGKGYDQZSA-N 429.496 2.435 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)C[C@@H]1O 1302839609 RUTCUWANKRKNDO-LMNJBCLMSA-N 425.533 2.467 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCn2cc(CO)nn2)cc1 1302989950 XAFPDYJWJLKBGK-KRWDZBQOSA-N 442.474 2.472 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OC(C)(C)C[C@@H]2O 1304257297 ZHPQNMYLIMNUBF-UGSOOPFHSA-N 429.498 2.458 30 10 IEEE C#CC1(O)CN(C(=O)Nc2ccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)C1 1310234355 WSJMLBWNASTVHJ-SFHVURJKSA-N 443.500 2.455 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314284012 HIAZMCAINSUNLC-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C(F)(F)F 1315172715 CBLIJKYVZAHQCL-CVEARBPZSA-N 436.438 2.486 30 10 IEEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 1320239240 HDIVABYBHKZCSW-MRXNPFEDSA-N 439.501 2.071 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2coc3c2C(=O)NCCC3)cc1 1355744225 JINCWIBTMBTYBH-HAVVHWLPSA-N 430.486 2.021 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(CC)CC 1358948975 PUXATLGOLVGWHJ-ROUUACIJSA-N 435.619 2.394 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(F)F)c1 1358978064 CFHHKXJJJSGWKW-QGZVFWFLSA-N 432.496 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H](C)CN1CCN(CC)CC1 1358992955 AZLNEBUOSGCHJF-FGZHOGPDSA-N 426.609 2.256 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC=CCO1 1359015497 VVQOMMJGPFBDJT-QFBILLFUSA-N 447.536 2.012 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC[S@](=O)C(C)(C)C)CC1 1359036824 KGUSWIPWBOKQRG-PMERELPUSA-N 427.618 2.480 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(F)cn2)CC1 1359039672 QWPFBRBIZNEHEP-UHFFFAOYSA-N 436.491 2.203 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)n(C)c1=O 1359109782 OHOPCKYBJIHQMQ-UHFFFAOYSA-N 445.531 2.379 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359124555 NASQABDSXXSTOY-IBGZPJMESA-N 442.495 2.339 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359207805 YCIRUUKXEFYQMT-OAHLLOKOSA-N 434.566 2.227 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@@H]1C 1359263424 BCEOCBVWGRKCPP-XIRDDKMYSA-N 437.591 2.446 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)cc1 1359308524 QIZFANFRULJXKU-QUCCMNQESA-N 425.533 2.390 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359312662 ZCFQMNBMYNEQGK-KRWDZBQOSA-N 433.578 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1359332111 POIWZDSEDRZLMW-UHFFFAOYSA-N 445.589 2.482 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 1359426988 CNOUPNISQCVQSV-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1359468263 INWWQGRAGRZOHN-ZDUSSCGKSA-N 444.446 2.353 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1435870451 MDIJBBRGDMEQJR-MRXNPFEDSA-N 431.489 2.102 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCCc4c(C#N)cccc43)CC2)c1 1437392209 MVNMDJAGYXXTOR-UHFFFAOYSA-N 438.553 2.298 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 1440714973 RJESNJCPZRUKOE-KRWDZBQOSA-N 437.525 2.128 30 10 IEEE C=CC[C@@H](CO)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1448632863 VPWBFAPITHURHX-ICSRJNTNSA-N 428.533 2.420 30 10 IEEE C=CCn1cc(CNC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)nn1 1461048550 OSACCFQNMTUVDY-UHFFFAOYSA-N 437.953 2.415 30 10 IEEE CN1CCN(CC2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1464873744 VZVQTZQLXOQNSI-FQEVSTJZSA-N 435.613 2.450 30 10 IEEE Cn1ccc(NC(=O)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 1467635278 YDKDLLWSZFXYOH-UHFFFAOYSA-N 448.508 2.391 30 10 IEEE C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1467990932 GKKQNGNHCBNLNA-ZBFHGGJFSA-N 445.379 2.293 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(CO)c1 1469641513 TYENULFBYBOIJA-NSHDSACASA-N 438.303 2.119 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2c3c(cc(C#N)c2=O)CCC3)ccc1C 1473092849 BJLQFRVXIXPXBL-UHFFFAOYSA-N 442.541 2.186 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(CC)CC 1507521497 NRIPMSMZLOXMEQ-QGZVFWFLSA-N 445.589 2.455 30 10 IEEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507579837 JNEYBJIMUFCVLQ-SFHVURJKSA-N 438.532 2.370 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)noc1C 1507604895 OHGOCGRGORDTIK-UHFFFAOYSA-N 427.534 2.269 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1507609567 ATIFXXAGCBAFBD-UHFFFAOYSA-N 437.504 2.023 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)CN(C)C1=O 1507644005 ZEMAYAAFVHPYNU-HXUWFJFHSA-N 426.318 2.259 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1507692482 ZBDOTTJDOVFPRB-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507750837 GAKWIKXZWMFCKG-IXDOHACOSA-N 440.635 2.186 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507968985 YNSKSQCTRXDUGI-LEWJYISDSA-N 444.580 2.484 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1507984654 ZLMKLUVEFQIWDC-HKUYNNGSSA-N 449.577 2.009 30 10 IEEE C=CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066723 DREOKQUPAUZSAT-QRVBRYPASA-N 446.596 2.393 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(NC(C)=O)CC1 1508089145 VWOLLHHEMUIKHX-UHFFFAOYSA-N 449.515 2.007 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(C)=O)cc2)C1 1508110342 ZPFXILJDUCIYRV-LJQANCHMSA-N 426.521 2.204 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1508424614 UCXPQQHETVCTJJ-MRXNPFEDSA-N 436.520 2.191 30 10 IEEE CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1515618671 FYHCYJUVTUCGNI-LSDHQDQOSA-N 446.515 2.232 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H](C#N)C1 1515681277 RQXHWRKQKRSJMT-OAHLLOKOSA-N 426.433 2.366 30 10 IEEE CS[C@@H]1CCCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1520153653 NRHBVDHWBRWBRU-DVSFIDLUSA-N 430.578 2.479 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)c1 1526859657 ARQZCIRJAQPTOL-QFIPXVFZSA-N 445.519 2.022 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)CCS(=O)(=O)c2cccc(Br)c2)n1 1531363799 LGUPMUIHKYPEOA-UHFFFAOYSA-N 438.347 2.491 30 10 IEEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1534236819 NWTOFEZWIJOVRD-MRXNPFEDSA-N 449.916 2.394 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1ccnn1C 1535588652 CNKPVBLFPQWPFB-YADHBBJMSA-N 446.467 2.406 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539323784 LJPSFSBKEINRTJ-RBBKRZOGSA-N 448.571 2.303 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1539642174 IAXVRLSEXMTAFH-DENIHFKCSA-N 441.580 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(CC)s2)C1 1540883012 RZUCNXWERJVVBA-CABCVRRESA-N 439.607 2.342 30 10 IEEE CC(C)COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1541584729 KZKSJKMNJPDYOY-INIZCTEOSA-N 426.587 2.081 30 10 IEEE CC(C)N(C)CC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541598981 RNDABDAVAZVEFL-LSDHQDQOSA-N 441.580 2.239 30 10 IEEE CC(C)OCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541754521 POJFEYTWLTUPFN-UHFFFAOYSA-N 435.536 2.087 30 10 IEEE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cn1 1545829252 SEOVKUCUJFCRQG-OAQYLSRUSA-N 435.484 2.440 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCCOC)CCOC1 1547921617 NYEZNXSREGVKHM-NFBKMPQASA-N 441.532 2.416 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1554515939 ZHFUKNCAOLHZPZ-MOPGFXCFSA-N 425.489 2.012 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1554690219 KGGNGLRGIHSFHD-QRWLVFNGSA-N 433.534 2.089 30 10 IEEE C#CC1(O)CN(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)C1 1562528633 RMWANEHMZLOYDT-UHFFFAOYSA-N 425.510 2.408 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1583476860 YQHMVEQGPOCSRB-UHFFFAOYSA-N 431.544 2.219 30 10 IEEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2=O 1585090488 GBDDUOKRHZQYAT-OSPHWJPCSA-N 437.544 2.140 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1588045732 PPIMOBONZPMCJA-INIZCTEOSA-N 436.965 2.388 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O 1588574388 GRKJLSVCAFNBAL-OPAMFIHVSA-N 429.496 2.122 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1593877937 ABUOHFDNSRRTIN-HNNXBMFYSA-N 437.932 2.124 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1595196117 MDOZGZSQMHKPBS-QGZVFWFLSA-N 445.545 2.276 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 1595550588 FYXPTWGOCYNLHC-QGZVFWFLSA-N 448.568 2.125 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)cc1 1595614736 ZAUPZUNUCBSGSC-IBGZPJMESA-N 425.533 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N2CCOCC2)C1 1595706462 LQFNTALJVTUFIL-OALUTQOASA-N 427.549 2.456 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 1598093818 IHZUGQMCXVQZNX-ARFHVFGLSA-N 425.526 2.044 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1598266708 LFBWDRKLMSFFGY-MRXNPFEDSA-N 425.482 2.156 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCO)C1 1611766984 FLQITTPOBSSZLU-JOCHJYFZSA-N 437.504 2.123 30 10 IEEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1615893201 RTJZUOUSXMMRBF-HXUWFJFHSA-N 429.613 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@@H](OCCO)C1 1616318070 ZZVRTVFZCNDFQH-QUCCMNQESA-N 429.517 2.392 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCC4(CCC4)CO3)CC2)cc1 1616429047 DUBHOBUOCKIOSX-IBGZPJMESA-N 431.558 2.424 30 10 IEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)C1)S(C)(=O)=O 1618102369 LHKTWDTXOBCHPH-NZSAHSFTSA-N 446.552 2.455 30 10 IEEE COCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1619841915 CGBLXRQLXIQCMX-LJQANCHMSA-N 435.529 2.025 30 10 IEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC=CCC2)C1 1620171298 XTRMCXGRYDPMPI-IEBWSBKVSA-N 448.593 2.097 30 10 IEEE C=CC[C@@H]1CCCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1620214218 HIAJWVIZBINLPT-QGZVFWFLSA-N 425.533 2.220 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1O 1622382617 MWQFBUDXKOVQHM-IBGZPJMESA-N 446.544 2.319 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cccn(CC(F)(F)F)c2=O)CC1 1624144594 WZWHPFFJPZDLJC-UHFFFAOYSA-N 447.373 2.493 30 10 IEEE C=CCOCCCNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1626232483 BIYJKVAJLQPNSJ-UHFFFAOYSA-N 425.327 2.442 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1628999001 LQGAUCZMPHHZHR-MRXNPFEDSA-N 437.594 2.383 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c(OC)c1OC 1629366090 PWOMEQRAFMQZGI-PBPSECFOSA-N 427.501 2.327 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CO1 1633661982 BTMDFGHYAPWTPG-HZMVEIRTSA-N 437.537 2.389 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCn4ncc(Br)c4C3)C2=O)cc1 1634187766 GLFDLCSBGWJFEG-MRXNPFEDSA-N 443.305 2.238 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 1640914534 WDDICNFQLBUHQV-VQPPSCEASA-N 441.509 2.024 30 10 IEEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1642903262 GDPFDLDXIZMZOY-QHCPKHFHSA-N 441.507 2.237 30 10 IEEE C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654889033 OHWCXEQTXRIEPK-UHYGZKCKSA-N 434.518 2.146 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2cc(Br)c3ccccc3c2)c(=O)nc1O 1675971869 MWGJWZORLDKFMS-UHFFFAOYSA-N 442.273 2.236 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 1681165505 FMRCYFMTSFXCBI-ZDUSSCGKSA-N 430.452 2.119 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689900688 NOBWKUCGHOMVRC-UHFFFAOYSA-N 429.590 2.339 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCOC)CC1 1689919494 PRNBYNBJJXISNF-UHFFFAOYSA-N 430.940 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN1CCOCC1 1690001590 NLUKBVJNOSUDHM-IBGZPJMESA-N 425.508 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC 1690044089 YWMIFEKVVSJBQW-UHFFFAOYSA-N 432.484 2.311 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=C)c2ccccc2)CC1 1690110384 KDEGVHHUGYTDAL-UHFFFAOYSA-N 427.512 2.394 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1690216809 UPDHKMPRJBEEFH-ZMPRRUGASA-N 430.553 2.177 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690675778 FARHTDSBBCVQLT-IRXDYDNUSA-N 429.496 2.161 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690750933 ROFHGYBEIZPEMB-NRFANRHFSA-N 426.546 2.350 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1693954726 BAIFBZKRYGWAIQ-NDXORKPFSA-N 440.548 2.219 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1705628535 KCLKUBDFGKHPIL-MOPGFXCFSA-N 445.589 2.003 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](OC)C2CC2)CC1 1705649784 FCYCYSWZJKMCFX-IBGZPJMESA-N 427.574 2.321 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1CSC 1705697043 JKTMOYLRAVJJRD-YVSFHVDLSA-N 443.639 2.201 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1705764095 NSDMWHQXXAFZLR-SFHVURJKSA-N 431.459 2.154 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC)C2)C1 1705917175 RAZROMYRBPEWOO-MIZPHKNDSA-N 433.597 2.442 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1705921828 AAJJRADPUQXVFC-SFHVURJKSA-N 443.552 2.327 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706658182 IFMTYRMIUDWIQG-UXHICEINSA-N 442.589 2.302 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708607644 ZMTWFLCLSQSSHX-IAGOWNOFSA-N 439.564 2.437 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1709938736 UBEKWZJSXQYQIR-HXUWFJFHSA-N 440.573 2.092 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722289666 RQAQSGKUXVKUGD-YTQUADARSA-N 428.562 2.002 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(CO)c1 1722296353 PCJZHUWZEKZEOI-SFHVURJKSA-N 431.544 2.451 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722318834 SKYZCIYOBLHJDZ-NRFANRHFSA-N 425.581 2.244 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(C)C)c2)CC1 1722436967 NXENOEAMPXVMMP-NRFANRHFSA-N 436.560 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(C)(C)N2CCc3ccccc3C2)CC1 1722444746 NOFQFQFPZMDJHB-UHFFFAOYSA-N 434.588 2.389 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCC2)c1 1722449321 UFENGLOZROSUJB-LJQANCHMSA-N 438.532 2.080 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnn(C)c1 1722695710 NECALLXFPVQBQX-UHFFFAOYSA-N 429.912 2.279 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)C1 1722722244 MQLCVEDRZUPYOL-KSFYIVLOSA-N 429.496 2.256 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC(C)(C)C2)CCOC1 1722864743 WMIXBRBDOKSCNG-GCJKJVERSA-N 434.585 2.025 30 10 IEEE CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1723036930 DTQBXDRBJDMILZ-GOSISDBHSA-N 447.499 2.146 30 10 IEEE CC[C@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1726858889 BZMIMHFAWHLUSY-VXCLMFOKSA-N 446.596 2.240 30 10 IEEE CS(=O)(=O)CCCCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1731002843 GUZFVWMRDOUWIB-LJQANCHMSA-N 434.610 2.327 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(C)CCOC 1740608952 VFKMKZYJEJSKIV-LJQANCHMSA-N 448.612 2.430 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 1740690244 HUYMPPXKNNNDOP-FDDCHVKYSA-N 443.523 2.118 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccccc2OC(F)F)CC1 1740695293 LYAIPRFLQPCQRQ-UHFFFAOYSA-N 439.470 2.334 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)CN(C)C)CC1 1740700076 DYZCNCZNCCGZOQ-UHFFFAOYSA-N 440.592 2.209 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)C1 1740754694 VJTQULQAASYZQI-CXAGYDPISA-N 449.353 2.295 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740804725 GLLCLWLWUVWPRU-UHFFFAOYSA-N 448.918 2.390 30 10 IEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCN(CC)CC2)CC1 1740827733 IXNHKHHLCFZIDX-UHFFFAOYSA-N 426.613 2.324 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1740856818 XMEJMQNDDHDUDK-RTWAWAEBSA-N 439.560 2.437 30 10 IEEE C=CCCCn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740876974 QAVHMFXRSANKHE-SFHVURJKSA-N 425.599 2.074 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1741247513 LDTMKXKORMFUKO-QKPAOTATSA-N 425.480 2.350 30 10 IEEE CNC(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748279653 IWXHEAGXRBQUIY-CALCHBBNSA-N 445.568 2.315 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1748740197 NJDHTXKLPVJTCF-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(CC)n1CCCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748817133 FUTUVMJLUQEHQJ-SFHVURJKSA-N 434.537 2.466 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1748986478 AOEIORZWUNYQPH-UHFFFAOYSA-N 444.543 2.277 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1748999505 YUXFYTXUHYIFTI-SIKLNZKXSA-N 439.560 2.436 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1749031594 BVTXXMKZKUHEDP-UHFFFAOYSA-N 438.561 2.155 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](n2cncn2)C1 1749087997 YZHKWNYBUCEZBF-LSDHHAIUSA-N 440.346 2.344 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749457965 SWVIJHOXZVKNEB-JOCHJYFZSA-N 431.487 2.456 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1750199682 XOZOJNQGIIHQKG-HXUWFJFHSA-N 430.509 2.474 30 10 IEEE CC(C)N(CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(C)C 1751207271 AUGBLOSNCZAOSL-QGZVFWFLSA-N 439.630 2.137 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760183351 AVNNXSBAXHRRTD-HZPDHXFCSA-N 435.981 2.175 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1760282274 YXUGPVIOWHZPKC-IBGZPJMESA-N 441.557 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1760520500 PNVQFEPLFDFYJG-UHFFFAOYSA-N 439.470 2.247 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1760560139 YVXHLOWYKYYZET-INIZCTEOSA-N 444.609 2.257 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760569419 OAORJPCBQGGDFJ-UONOGXRCSA-N 449.558 2.303 30 10 IEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)c(=O)n1C 1761781883 DUYMUKOXDJMYMP-UHFFFAOYSA-N 431.544 2.403 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC(C)(C)O1 1763089082 FBERXEZUIHVNOJ-NVXWUHKLSA-N 429.546 2.255 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766249406 FVUBHQPMMOMYIU-UHFFFAOYSA-N 447.499 2.015 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1766311365 FPYURQTUFIBKFU-DENIHFKCSA-N 428.512 2.158 30 10 IEEE CCc1c(C(=O)N2CCN(c3ccccc3C#N)CC2)nnn1-c1ccc2c(c1)OCO2 1851406795 QRISIDRAULTUQD-UHFFFAOYSA-N 430.468 2.392 30 10 IEEE N#CCc1ccc(NC(=O)CN2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 1851916332 NOAIZKNAKXUOFL-UHFFFAOYSA-N 429.528 2.435 30 10 IEEE CC(C)Cn1nccc1[C@H]1C[C@@H]1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851986504 BXRDJEZTXSRKPV-OALUTQOASA-N 432.532 2.171 30 10 IEEE CN1CC(=O)N(C(=O)Cc2cc3c(cc2C#N)OCO3)[C@H](c2ccccc2Cl)C1=O 1853393758 JVOHTAZOPNMCNF-HXUWFJFHSA-N 425.828 2.051 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2=O)cc1 1853621874 BGSKEVUDJKAEAQ-UHFFFAOYSA-N 431.901 2.204 30 10 IEEE CCOCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)c3ccc(CC#N)cc3)ccc21 1856088636 RWTIWUHUYNFPIJ-UHFFFAOYSA-N 427.482 2.030 30 10 IEEE N#CCCCN1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C(=O)C12CCCC2 1856524425 DIGURCQYWKTXLR-UHFFFAOYSA-N 437.949 2.401 30 10 IEEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873596378 UELXOHCKXDSQKK-CQSZACIVSA-N 442.545 2.279 30 10 IEEE N#Cc1ccc(CC(=O)N2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)cc1 1890344142 XNSQOVGEMXCCQG-UHFFFAOYSA-N 438.495 2.339 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC(C)(C)S(C)(=O)=O 1901324131 RUKXZSFUCUKCPE-RBUKOAKNSA-N 438.590 2.199 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1985010189 ZBRROQDIZYGVLT-OWCLPIDISA-N 427.542 2.190 30 10 IEEE C#CCn1ncc(NCC2(F)CC(NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2105982892 GYUVEGITZTTWFR-UHFFFAOYSA-N 429.290 2.446 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C#N)c(Br)c1 2141250883 PWOTZEUCHLIAHQ-CYBMUJFWSA-N 425.283 2.418 30 10 IEEE Cc1ncc(S(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)cc1C#N 2207114465 QAUKCXDEGZUNFR-MOMVYJMYSA-N 426.498 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2224099371 GDBGCQUDEJBIQJ-ORQFMDKSSA-N 431.342 2.473 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NCC3CN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2243393468 SLYXOTKZERKUAM-UHFFFAOYSA-N 439.321 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254790070 HLFOGNKUIAAEGI-NVXWUHKLSA-N 433.358 2.411 30 10 IEEE COc1ccc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255599147 WDDJCIWFUDJYLW-SJORKVTESA-N 432.326 2.390 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255670306 XBORLSRZLKESKE-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267089363 CSCLRTUQMUUUPC-GOEBONIOSA-N 448.373 2.426 30 10 IEEE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090907 NZKQWSBUMUCQGJ-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267145698 IHNNMMBPSHQJBM-JOCHJYFZSA-N 446.357 2.325 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CNC(=O)OC(C)(C)C 2267167229 CRORREPCXKHMPK-GJZGRUSLSA-N 446.357 2.009 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267483628 WBELCKXGQZSBEC-XMMPIXPASA-N 440.349 2.336 30 10 IEEE CCn1cc(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267488536 UKDUCCLZWKQGGB-OAHLLOKOSA-N 446.357 2.108 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 2267524613 SIOQQSZKMLASIR-CABCVRRESA-N 448.373 2.330 30 10 IEEE C[C@@H](O)CN(CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267587666 AMPXNJJCOJZTTF-MRXNPFEDSA-N 448.369 2.334 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)nn1 2268639395 OKZSIFJDXYEHBP-ZBFHGGJFSA-N 447.345 2.217 30 10 IEEE Cc1cc(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)sc1B1OC(C)(C)C(C)(C)O1 2282316849 ITGIBTINXPAOLR-CQSZACIVSA-N 443.396 2.129 30 10 IEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2302961333 WVHHEJRCYUFXQQ-FQEVSTJZSA-N 449.617 2.311 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1(CO)CCC1 2315611522 PDLJUCNUKHANFH-UHFFFAOYSA-N 425.338 2.277 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2337201790 ZIVDFBYMQLVCIJ-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C=C[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 4172323 JGSKXHVNDZFORI-PVTFLPKTSA-N 432.488 2.195 30 10 IEEE biogenic,in-man C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 10092910 MKBXPBFASNKRNM-INIZCTEOSA-N 449.598 2.346 30 10 IEEE N#Cc1cccc(NC(=O)c2cc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc2Cl)c1 12031954 HXHKLPFZVYJRLH-OAHLLOKOSA-N 438.914 2.425 30 10 IEEE O=C(/C(=C(\S)NCCN1CCOCC1)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 22694746 PNEOZNMEKMPYEJ-UHFFFAOYSA-O 426.562 2.029 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)C1=O 59407364 ATDAIEKMAUTKKS-UHFFFAOYSA-N 436.255 2.154 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 409492410 QCAQPPASBANOMY-MOPGFXCFSA-N 430.521 2.185 30 10 IEEE C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CCN1CCO 428530349 WRNMVYQFKWXTMP-QGZVFWFLSA-N 438.553 2.428 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCOC3)c2=O)cc1C 441935153 OVMCMOVPORLGCR-KRWDZBQOSA-N 440.565 2.300 30 10 IEEE Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)o1 442147340 CYOGABHPKHBCPZ-DNVCBOLYSA-N 432.484 3.038 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC(=O)N2C)cc1 461305194 XHSAQJJGSMMWNH-GHTZIAJQSA-N 430.468 2.614 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(C#N)ccn1)n2C 477425126 QYQUIMCISBXAAP-UHFFFAOYSA-N 440.529 2.442 30 10 IEEE COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)cc1 522073746 JFSJECSWYNENNB-UHFFFAOYSA-N 440.565 2.463 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Cl)cc2)c1=O 523652765 PJALXHDSASVJTA-UHFFFAOYSA-N 444.940 2.389 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cccc(C#N)c1 530674834 MCBKBDGEDRASLO-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE COc1cc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)sc2cc1OC 532611538 AVCAVJFQHAYHRN-NSHDSACASA-N 446.510 2.491 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N(C[C@H](C)C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 532819277 IAKKUSIUCVYHGX-OAHLLOKOSA-N 441.557 2.307 30 10 IEEE COC(=O)c1csc(S(=O)(=O)N2CCN(c3cc(C#N)ccc3C(C)=O)CC2)c1 544409965 VYJOMOPBXHHRFL-UHFFFAOYSA-N 433.511 2.120 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 553277142 AZNMIHCXAZCQDQ-AZUAARDMSA-N 430.524 2.198 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C#N)C1CCCCC1 583344897 HDRIHPOAMDTKOZ-HXUWFJFHSA-N 448.589 2.224 30 10 IEEE COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C(=O)NCc1ccc(C#N)cc1F 586862086 JOAKAOORFHOXFO-UHFFFAOYSA-N 446.866 2.429 30 10 IEEE Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(C#N)cc2)c(C)c1NS(C)(=O)=O 610266134 AETDBAAHBQVJOU-UHFFFAOYSA-N 437.543 2.212 30 10 IEEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(C2CC2)CC1 670219902 BWXOGAGYNGCTQJ-UHFFFAOYSA-N 444.605 2.268 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(OC)n2)cn1 726887973 LHEOYRFFYPPMIL-INIZCTEOSA-N 441.513 2.294 30 10 IEEE N#Cc1ccc(NCCNC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)nc1 729814868 XLUZLPQSQJLNHH-UHFFFAOYSA-N 441.293 2.412 30 10 IEEE C[C@H]1CCCCN1Cc1ccccc1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732443871 FAZLQGJXPFYWTC-SIUCFOQUSA-N 425.533 2.387 30 10 IEEE C[C@@H](CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)n1cccc1 735137367 CVWRVXORGGOEHZ-INIZCTEOSA-N 437.456 2.451 30 10 IEEE Cc1ccc(COc2cccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2)cc1 737305299 GMYUUNIQMWSPTF-QURGRASLSA-N 448.479 2.155 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 742175488 VLMMZTIWXXKALH-UHFFFAOYSA-N 432.374 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@@H](C#N)C1 754379041 KPEIIGRJUJZQIU-INIZCTEOSA-N 428.489 2.164 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@]2(C)CCCO2)C1=O 756079003 RCJJTVWEDAUDSE-GCJKJVERSA-N 443.573 2.127 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760668511 JVNGOTOZZCUDCW-QGZVFWFLSA-N 428.537 2.432 30 10 IEEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766418531 HFSRKSANGJZKCA-LJQANCHMSA-N 440.573 2.293 30 10 IEEE Cc1ccc(C(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)cc1S(=O)(=O)NCC#N 771640198 ASVJYKJWSVFIEW-IBGZPJMESA-N 431.489 2.274 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cncc3ccccc23)c1=O 772901326 REBKTTUKGXBTFS-UHFFFAOYSA-N 441.512 2.490 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2ccc(I)cc2)cc1 780217208 HWPVQZSRDJJKJK-MRXNPFEDSA-N 436.205 2.378 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)ccc2c1=O 787691748 LDEIOWVTLSBFGN-CCYBSCMUSA-N 435.549 2.110 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2ccc(Br)cn2)n1 789966144 DXHPFQLJWHTWHH-CQSZACIVSA-N 448.350 2.465 30 10 IEEE Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 803551123 QYWQZQOYXFMURF-MSOLQXFVSA-N 425.489 2.146 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)NS(=O)(=O)c3cccc(-c4nnco4)c3)C2)c(F)c1 805900858 WTQKCFLVJLNVEY-HNNXBMFYSA-N 441.444 2.079 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 809926019 HADSUSHXLJQCMX-IRXDYDNUSA-N 437.541 2.014 30 10 IEEE COC(=O)c1ccc(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1 1125189299 ROCZMBHXHRIVTN-NMWGTECJSA-N 429.498 2.467 30 10 IEEE CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1125790744 FZRNVPHHKKCBAW-PBHICJAKSA-N 434.949 2.334 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1133282797 CJPUBBDUYDQLCN-RTBURBONSA-N 438.532 2.380 30 10 IEEE N#C[C@]12CN(C(=O)C3(c4cc(F)cc(Br)c4)CC3)C[C@H]1CS(=O)(=O)C2 1134429029 LRLDFBYSDSVYOB-BLLLJJGKSA-N 427.295 2.017 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2nnc3c2CCCC3)c1 1136303648 CFLMQJSVDUETMW-GFMRDNFCSA-N 444.561 2.389 30 10 IEEE CNS(=O)(=O)c1ccc(CCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 1151879781 ZIHFBLSYNQTWRE-UHFFFAOYSA-N 437.525 2.344 30 10 IEEE C#CCn1cc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cn1 1156661623 ARDYMPRIIGQSIE-HSZRJFAPSA-N 448.548 2.257 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOCc1ccc(C#N)cc1 1160339812 MIJOCUDBZZSKCG-GOSISDBHSA-N 433.505 2.380 30 10 IEEE O=C(C1CC2(C1)CS(=O)(=O)C2)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605649 WGGRPLLVMKMOGG-IUCAKERBSA-N 441.340 2.441 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1occc1C 1286364120 ZLIFFUQMDUVSIF-QFIPXVFZSA-N 429.521 2.110 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1286516026 BFPKUWWABKNCAQ-HRAATJIYSA-N 431.562 2.132 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CC)c1 1286718406 ILCBIGFUXJTCQN-UHFFFAOYSA-N 429.550 2.082 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)F 1288519932 QIVOIEIEKJYQII-HNNXBMFYSA-N 434.495 2.472 30 10 IEEE CCCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1294426930 HXGLUDSYVBQLSA-XUTLUUPISA-N 440.504 2.335 30 10 IEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1295569515 CVEIYADDSMHAAS-IEBWSBKVSA-N 440.548 2.458 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3OC)s2)cc1 1298288238 IEKJQWJRSVGGLQ-UHFFFAOYSA-N 428.495 2.378 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC(F)(F)CO1 1300511162 GEJXZACZPRKHCY-INIZCTEOSA-N 446.454 2.468 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](C)N1CCCCC1 1300521363 VXYKLIXGQFGCBL-FQEVSTJZSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1CCN(c2ccncc2)CC1 1300553410 HNXRHBKLNJBIAT-UHFFFAOYSA-N 433.560 2.191 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1300780452 QKQGKGSSTZDDKR-BBTUJRGHSA-N 436.626 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOCC)CC1 1300885482 PTHOAKSLPDCYBQ-NJYVYQBISA-N 433.597 2.312 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1301107971 KCAVCVQIOZEEBF-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1nncn1CC 1301340534 HNHUCNOMGNKETK-UHFFFAOYSA-N 433.520 2.140 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1301348417 AGUCZUPTMCOKES-GOSISDBHSA-N 445.589 2.145 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1306503034 BZWKVDKIABWLEH-SFHVURJKSA-N 440.548 2.385 30 10 IEEE COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1309269579 AAROZZIQXSOHGP-GFCCVEGCSA-N 443.909 2.260 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C)c(C(=O)OC)o1 1309854252 NUBCWIXZSFPMPV-UHFFFAOYSA-N 440.518 2.398 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)n1 1313114163 RIAUUWJNQYZPBK-ROUUACIJSA-N 433.553 2.462 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCOc2ncccc2F)CCO1 1316539859 GQYKSYSOAQXETJ-QGZVFWFLSA-N 442.426 2.338 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)c1 1354285438 IYYFEOGYHBGHEC-AXVPLRHPSA-N 432.546 2.134 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1358916384 JXGUYPJDAGRPSP-UHFFFAOYSA-N 429.496 2.095 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OC(F)F)c1 1358984231 NFLNXYJRONPDLV-WMZOPIPTSA-N 431.443 2.120 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1N(C)CCCC1(C)C 1359027616 PBIPDSPTABCHKP-ZCNNSNEGSA-N 433.597 2.209 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2ccccc2)CC1 1359028310 NWOUJFPJICALBP-IBGZPJMESA-N 429.528 2.484 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1359299124 VZQWGEUAIHACQR-MRXNPFEDSA-N 448.531 2.276 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(N(C)C)CCOCC2)C1 1359322741 BGDXASMSWXPRRG-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1359332115 PRBCGNVGHZPNJC-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)CC1 1455943648 LXUVEPWOHXCETA-UHFFFAOYSA-N 441.553 2.348 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ncc2c(n1)CCOC2 1461355151 HRGLDYFKHLIUHC-UHFFFAOYSA-N 447.289 2.277 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2[nH]c3ccccc3c2C#N)cc1 1465995187 USQLXDUXZHQZQI-UHFFFAOYSA-N 425.466 2.057 30 10 IEEE COC[C@@]1(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CN(C(=O)OC(C)(C)C)CCO1 1466609283 MOUOZPKELMKPNL-WMZHIEFXSA-N 445.516 2.111 30 10 IEEE C=C(CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccccc1 1468713395 IZNCFOGYPNJSCS-QRVBRYPASA-N 434.558 2.486 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 1470097847 ABWONQOGCGKLKS-UHFFFAOYSA-N 433.331 2.461 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CCS2(=O)=O 1471537850 DYRWOPGNNACZHG-QHPYWPBHSA-N 433.530 2.160 30 10 IEEE C#CCN1CCC(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1471938295 IOKCBJQZMWCPHG-OAQYLSRUSA-N 428.577 2.226 30 10 IEEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)c1N 1475377992 AJCCBDLQMKMBAL-UHFFFAOYSA-N 437.909 2.193 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 1503605414 LZIUFXZRACPCKZ-IBGZPJMESA-N 447.561 2.169 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC=C(C)C)CC1=O 1504927736 ZCVZHHLYMXXUON-UHFFFAOYSA-N 438.532 2.380 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507562601 LSUXWVDNIHWBQR-UHFFFAOYSA-N 436.516 2.278 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1507630979 AKGNMMGXCZRNAM-PMACEKPBSA-N 449.621 2.021 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1507632728 AHDIBNUCYUYRLS-QZTJIDSGSA-N 444.605 2.268 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1nccc(C(F)F)n1 1507656324 GOFONBIYKZZHIV-UHFFFAOYSA-N 432.438 2.365 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O 1507796840 QWXQHYXTXBOYFS-NVXWUHKLSA-N 439.969 2.456 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1507798144 RSOOFFAYWAKPDD-SXLOBPIMSA-N 437.610 2.399 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1507803827 JBLUWAZNWXSGEA-DYESRHJHSA-N 445.589 2.259 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507958999 KTAFYURAOZGOCU-QFIPXVFZSA-N 441.557 2.424 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507967484 KFFBQNMXBQHWKH-UHFFFAOYSA-N 439.564 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](COC)C1 1508080845 ROSZBGLAUONCSI-SFHVURJKSA-N 435.532 2.296 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)[C@H]1CC 1508103185 FREVCYYUSDQMIQ-RTBURBONSA-N 425.533 2.500 30 10 IEEE C=CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1516157018 UDOMRFAIOSXWPT-YADHBBJMSA-N 448.523 2.296 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1516877349 DKVZYFRPEBCGES-JJCDCTGGSA-N 431.562 2.359 30 10 IEEE COc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(C#N)o1 1518429963 VXIXPIGPDSITCD-UHFFFAOYSA-N 441.513 2.480 30 10 IEEE COCCN1C[C@H](Cn2c(C)nnc2N2CCC[C@H](Cc3ccc(C#N)cc3)C2)CC1=O 1519193501 UIHWCCYECWYLCQ-FGZHOGPDSA-N 436.560 2.412 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCOCC(F)F)CC2)c1 1521111325 WEFVSTOZURGOSR-QGZVFWFLSA-N 447.490 2.047 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)C1=O 1530726637 KUZWZAPQGCHCHN-UHFFFAOYSA-N 435.362 2.115 30 10 IEEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)COc1cccc(Br)c1C#N 1536980370 YVXQSYMCEPGGIK-OAHLLOKOSA-N 425.279 2.174 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1537809967 MQOVCYKZBBRTOT-UHFFFAOYSA-N 442.541 2.135 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1539146090 XFZBTABHHOUNEE-KRWDZBQOSA-N 430.553 2.231 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1539225431 OBYDULZCGLHMOD-IBGZPJMESA-N 434.606 2.454 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCCCC2)CC1 1539453606 ARWNCHSQWRTMJN-UHFFFAOYSA-N 436.604 2.313 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)N2CCCCC2)CC1 1539459819 OVEJSBNJHOREMK-NRFANRHFSA-N 438.624 2.159 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539526748 UJPBOEYNZAITFX-SFHVURJKSA-N 443.598 2.271 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(O)CCN(C(C)C)CC1 1539539447 UUQPBUHDBKNKQZ-DENIHFKCSA-N 433.597 2.230 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539752227 GIXREEBRISFUOL-UYAOXDASSA-N 440.548 2.349 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1 1540822786 LGRANLQPKRCSEK-UHFFFAOYSA-N 444.532 2.065 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1544580779 IYEXNNIWDRVTKV-UHFFFAOYSA-N 441.329 2.328 30 10 IEEE CO[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1554648190 HQLKAXURGFKIAX-VGOFRKELSA-N 439.495 2.305 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cc1 1554852391 RVBHVXAGDXKRAQ-GOSISDBHSA-N 427.486 2.090 30 10 IEEE COc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c1 1555023490 DREVPJLPCVIDNL-OAHLLOKOSA-N 432.550 2.075 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555273964 FBMCPJHQLHGLED-IAGOWNOFSA-N 432.475 2.104 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(Cl)c1 1555753246 LRRQRDQBFSVQKW-FCEWJHQRSA-N 447.923 2.441 30 10 IEEE Cc1nc(SCC(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c(C#N)c(C)c1C 1558322379 JLMIPBYUROXOSK-SFHVURJKSA-N 447.586 2.093 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN(CC#N)C1 1558940313 PFMSIVFBQYBVKT-SFTDATJTSA-N 443.592 2.363 30 10 IEEE CNC(=O)Cc1nc(Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)cs1 1559442358 CRKPBRBNEKTVCC-UHFFFAOYSA-N 433.537 2.072 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1559939184 JPKNAIMEYHLSHI-MRXNPFEDSA-N 439.965 2.035 30 10 IEEE CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1561114007 DIYFHVSTYKOIRP-UHFFFAOYSA-N 445.541 2.496 30 10 IEEE CC(=O)c1ccc(Br)c(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1563205654 XWOSOTXJCRCBFB-LRDDRELGSA-N 426.292 2.054 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 1566358749 LPYXOYCJOUBLRJ-GMAHTHKFSA-N 440.565 2.096 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc[nH]cc1I 1566402443 MTKHWOPCAHUIER-ZDUSSCGKSA-N 429.258 2.353 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 1583069245 WFBCFHKLJARONV-QRQCRPRQSA-N 437.537 2.087 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CCN1Cc1ccccc1 1585916635 JEYDGMZGNMZMBF-SVFBPWRDSA-N 433.430 2.034 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1587562410 OUJPGEFCBYAPMI-HOTGVXAUSA-N 429.496 2.297 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1587990654 ZUNIKVMJWNLCTP-OAQYLSRUSA-N 441.601 2.162 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1588045283 IWQJCCUVQSDYSG-AVRDEDQJSA-N 430.574 2.431 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1589060205 OOEBHBZPAZRGOO-GHTZIAJQSA-N 430.578 2.372 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1594644986 IWQBOTQKROEMCK-IBGZPJMESA-N 443.596 2.339 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)noc1C 1595290395 FFBRETRVQYZLFT-UHFFFAOYSA-N 449.515 2.484 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2=O)cc1 1596367365 GRGAYNKZNSGSSW-HNNXBMFYSA-N 429.440 2.089 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1597975974 FQSPPAZQQWVIGC-YADARESESA-N 449.559 2.036 30 10 IEEE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)NCC#C[C@H]1CCCCO1 1606801053 CDSFQMIFEXSYIY-YKSBVNFPSA-N 445.519 2.189 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1611319067 BGLHHKUNCGTWJD-ZDUSSCGKSA-N 432.326 2.345 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1623848338 SNBAHPIFRLSLMH-IBGZPJMESA-N 429.496 2.182 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1625082689 QFDAVMCGLQRYGB-INIZCTEOSA-N 449.916 2.201 30 10 IEEE N#CCCCOc1cccc(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1626144378 RGXLHMXOWYZKMQ-SFHVURJKSA-N 437.905 2.300 30 10 IEEE C[C@H](C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)NC(=O)OC(C)(C)C 1627424789 GPRWYUBCZIUFSX-HUUCEWRRSA-N 438.550 2.300 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2c(Br)cccc21 1630429951 QMKZTDHCRWNBRJ-UHFFFAOYSA-N 434.315 2.467 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1N 1635047139 AWDQMPGOPQCOQM-UHFFFAOYSA-N 436.497 2.363 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 1639775654 OMPLQBSJZGOABR-GOSISDBHSA-N 428.411 2.464 30 10 IEEE COc1ccc(C(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)c2ccccc12 1641524611 KKIZYSOJQJOFDA-IBGZPJMESA-N 425.485 2.197 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 1643855948 YTZMCTPJRIVURI-UHFFFAOYSA-N 433.461 2.464 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CCC3)n[nH]2)c1C 1645282927 LTMPVTDBNAABDD-UHFFFAOYSA-N 448.593 2.446 30 10 IEEE C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)OC(C)(C)C 1645451635 FHNZDFHSADJJHN-VQIMIIECSA-N 449.573 2.482 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)CCOC1 1645842021 QYCGEJSKSQWXHO-DEOSSOPVSA-N 436.512 2.056 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1647763592 OXJXOAHKEGYMIY-OKILXGFUSA-N 437.493 2.347 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CCCN1C(=O)OC(C)(C)C 1647893348 WMTZQNSHXGYBTP-BJKOFHAPSA-N 448.560 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1654987080 YQQJQLCWOGXIGJ-SJORKVTESA-N 425.938 2.430 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccsc2Br)n1 1655207410 MBSYZSKMBLVBLQ-UHFFFAOYSA-N 432.365 2.319 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OCC 1663976515 YCQYQBQFTRGPQX-GOSISDBHSA-N 444.575 2.037 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)CC1 1672984687 ZWHLMCMMGZJDHM-MAUKXSAKSA-N 430.480 2.366 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1689826710 SXBZTJLGCLPXMA-OAHLLOKOSA-N 444.923 2.162 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1689930408 QXKPBNUGQYJIIA-NRFANRHFSA-N 441.601 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)CC1CC1 1690056216 KEGLKEDTLLRONZ-WOJBJXKFSA-N 446.617 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)c1cccs1 1690056403 RDFYNADEMOLZCT-JLMWRMLUSA-N 428.558 2.434 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1690060861 KXUIEFLIMGVMNA-QFIPXVFZSA-N 427.553 2.144 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1690063550 HIQPLYSFSLIXDA-UHFFFAOYSA-N 432.322 2.026 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690080423 SYQSMOBRZLPUJR-SFHVURJKSA-N 436.482 2.377 30 10 IEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC(=O)N[C@@H](C)CC)CC1 1690120392 SZRBWRAGXXRVLW-SFHVURJKSA-N 433.560 2.486 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690156185 TWBJDIHAVWHNBZ-SFHVURJKSA-N 432.638 2.337 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690663665 CVYJMMGMJRLTLV-MRXNPFEDSA-N 428.518 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2cc(F)cc(C)c2C1 1690722783 VMADRCOEVCNMNW-UHFFFAOYSA-N 442.520 2.346 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1697911920 LMACALQRIBIKLH-ZWKOTPCHSA-N 449.458 2.005 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C[C@H]1OC 1698289348 GKSZQXNPRSFPAE-XQBPLPMBSA-N 442.589 2.104 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705507462 BZLSRGGSDUTHCO-MRXNPFEDSA-N 426.487 2.390 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1705547272 AWHSOCBTIVJTKH-QFIPXVFZSA-N 427.574 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](CC)OC)CC1 1705650980 FNKSSWIKYKIAIY-SFHVURJKSA-N 443.523 2.387 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705737650 WYLDLKBFIVWJFA-IAGOWNOFSA-N 432.525 2.459 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1705834943 WQCHCDSLTSGGLI-CABCVRRESA-N 444.602 2.014 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705905984 NLWXRMOJFNMKOH-SFHVURJKSA-N 430.578 2.331 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1705911585 LMWCHINYUMQKSJ-MJGOQNOKSA-N 425.533 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705932825 LDHWPSHTFFORSC-QXAKKESOSA-N 446.573 2.273 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1710122954 IETDVYRIVBKIMY-MONBJTKQSA-N 441.532 2.274 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1710324319 JVPSNLDTNDWSFV-PGRDOPGGSA-N 426.496 2.412 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1711409345 DDARLFJMGHBSQN-IZZQQSIFSA-N 437.548 2.482 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1712699681 DUKDDDKTPDNBFJ-IBGZPJMESA-N 441.513 2.422 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722359882 QOLLFFSPHNDMAP-IBGZPJMESA-N 428.558 2.049 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1722424141 CDHMNMAYZIVVFZ-UHFFFAOYSA-N 432.463 2.194 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@](=O)C(C)(C)C 1722426292 FZZDJCUXZIFOQO-RQZFFVEVSA-N 446.573 2.424 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722482024 DNSFRCYUQBDRAQ-ZIAGYGMSSA-N 435.388 2.340 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1724016128 WAIVZRUWJNDDFX-QFIPXVFZSA-N 445.568 2.445 30 10 IEEE Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1725009175 SOLYDOSQMGXLPM-UHFFFAOYSA-N 448.531 2.268 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@H](C)O1 1726672989 WFCPRAYHHUFHCS-HOTGVXAUSA-N 429.546 2.398 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1727650829 AOEATTDEXIVBDL-INIZCTEOSA-N 438.442 2.307 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1731147994 QHHCAEKCWGUGJA-CRAIPNDOSA-N 437.504 2.459 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnnn1CC1CC1 1740536321 DBCBBDBBWWJAEC-ZDUSSCGKSA-N 428.447 2.449 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)nc1 1740547481 VSRDTGHAEROZRV-OAHLLOKOSA-N 439.545 2.148 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740619884 MCJRCLXIULXUET-SELNLUPBSA-N 442.585 2.431 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CCCO1 1740632125 GYSIUYGOPIRKIW-JOCHJYFZSA-N 440.573 2.189 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(COCC(F)(F)F)cc1 1740638975 OQXUZYLCAQZMNQ-SFHVURJKSA-N 445.445 2.429 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1740696489 VQXBFVPDXHEKHT-NRFANRHFSA-N 440.592 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCc2ccn(C)n2)CC1 1740707155 QVNTWFTZWGTDCV-UHFFFAOYSA-N 445.571 2.119 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1740730715 GXIQPAKDOVUQSZ-MTNREXPMSA-N 446.573 2.290 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC2CCOCC2)CC1 1740768765 XMRURZQOMSHKQB-IRLDBZIGSA-N 433.597 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC(=O)N2)C1 1740977650 IVMHTJIORLNKPF-IAGOWNOFSA-N 427.505 2.022 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](COCC)C1 1740992599 RKUWLMCFMPMAEQ-MSOLQXFVSA-N 426.583 2.026 30 10 IEEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1742642911 RJFMOASJLDHTDU-UHFFFAOYSA-N 439.545 2.029 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1747596758 MVQOUFPLDBAUFN-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1748664241 FGYDZBJVHTYABA-AVRDEDQJSA-N 426.590 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1748682594 YTWSMRHEYNNRFB-KRWDZBQOSA-N 439.541 2.204 30 10 IEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1748731300 ZVZCNEZYDCQKCV-IRXDYDNUSA-N 430.553 2.465 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1748785009 WYQKGKQLAKCUKA-SFHVURJKSA-N 449.559 2.026 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748809585 NZVHBQPDTHLKBU-AEFFLSMTSA-N 446.598 2.334 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1ccco1 1748956856 LWSNVFYVDMANEZ-UHFFFAOYSA-N 428.880 2.103 30 10 IEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1749264619 AVDRUWXLEISFLA-UHFFFAOYSA-N 436.925 2.217 30 10 IEEE C=CCCOCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1749460914 JAHGUSODQYODPJ-SELNLUPBSA-N 447.580 2.159 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1 1749650819 HSTRUWYSCJCYMF-CQSZACIVSA-N 446.939 2.075 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@H]1CC 1749689429 IYIQGOLHXMFDHX-HXUWFJFHSA-N 449.559 2.468 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc(C)cn2)C1 1749697601 LLKTYKLCKZSXQB-DENIHFKCSA-N 430.553 2.305 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C#N)C1 1749725140 QSVINBYKAHMUNC-INIZCTEOSA-N 427.486 2.021 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3C2)nnc1[C@]1(OCC)CCOC1 1749739537 FPWONCSVPNVYCG-NRFANRHFSA-N 432.546 2.051 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CC=CCC1 1749830568 NJYJSDNUVMDWBP-UHFFFAOYSA-N 448.531 2.222 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1750532180 CUUPWVSMBIRCDA-UHFFFAOYSA-N 448.531 2.006 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1COc2ccccc21 1751209537 ABNXDOBOVJKBDP-WBVHZDCISA-N 444.561 2.195 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)CCC)c1 1760128873 VHIKAJOTZWWFGV-MBSDFSHPSA-N 425.533 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760183511 PSXZONKPDJXOQZ-OALUTQOASA-N 445.589 2.348 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1760185086 PHAABBRSZJVNSN-HDMKZQKVSA-N 448.520 2.120 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](C)N(CC)CC)CC1 1760260184 NMTYDKAQJSRYGS-SFHVURJKSA-N 448.575 2.079 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)CC1 1760263494 DADUSSJEMZYRAT-OALUTQOASA-N 444.580 2.142 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nccnc2C)CC1 1760263534 FTUCFUPHBGNBGW-TZIWHRDSSA-N 437.592 2.293 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1760495728 VQYSYBGLJUNMJY-IAGOWNOFSA-N 446.552 2.044 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1760505888 QDXFULOFEOPFFV-IAGOWNOFSA-N 440.610 2.413 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1C(F)(F)F 1760514747 MITHUYVCVZWDNF-UHFFFAOYSA-N 438.454 2.374 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@H]2CC)C1 1760549744 LQQFBWIALPHFER-WOJBJXKFSA-N 430.597 2.446 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760568195 BMANBURANWEFQT-DLBZAZTESA-N 441.623 2.053 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760728060 GCLLYJKUBSUASI-QINHECLXSA-N 438.573 2.222 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOCC1(C)C 1769841293 BBQJCMZEUUZZRW-UHFFFAOYSA-N 447.971 2.471 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1770097244 HFMVSCWOGAXOMU-HQRMLTQVSA-N 445.520 2.147 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1770331540 UHPQRQWFZKYCGS-NRFANRHFSA-N 429.546 2.258 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCCCCC1 1771112460 PHPXWRXVVIFYRM-LJQANCHMSA-N 432.569 2.331 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1772566808 WVABQHAOZAIZSJ-LJQANCHMSA-N 429.521 2.476 30 10 IEEE CO[C@H](O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 1848436924 HNSMUJBSWKHCGZ-VEIKWSFBSA-N 446.540 2.299 30 10 IEEE N#CC1CCN(C2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)CC1 1851314606 CHZZNEQXSVNJGU-UHFFFAOYSA-N 430.574 2.311 30 10 IEEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]2)c1F 1852687726 CBLXKKZFFNQJKY-UHFFFAOYSA-N 449.446 2.119 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 1853082217 RZAFBLBNUJNWFI-ZDUSSCGKSA-N 445.398 2.248 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3csc(C4CCCC4)n3)[C@@H](C)C2=O)CC1=O 1855153200 UMTHNALYNWYYCX-RDJZCZTQSA-N 430.574 2.395 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CC(F)(F)C2)C(=O)C12CCCC2 1856267866 DKJFUGVZNYAKSV-UHFFFAOYSA-N 437.468 2.276 30 10 IEEE N#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)CC(F)(F)F)CC2 1857220327 PKHHHRYJFUMDIF-ZDUSSCGKSA-N 441.431 2.369 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC(N4CCCC4=O)CC3)C2=O)c1 1857331484 RWIZMHZBKNAWTJ-IBGZPJMESA-N 428.920 2.234 30 10 IEEE CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858421850 GHRGCKUOHMRVFM-MRXNPFEDSA-N 427.482 2.384 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1cc(OC)ccc1OC 1864337603 FICFWJTXQZHJPA-ZDUSSCGKSA-N 438.406 2.453 30 10 IEEE Cc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 1870150945 JWKYPMCBOMGZBB-HNNXBMFYSA-N 430.424 2.137 30 10 IEEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCOC 1870348941 SQDDWBFZVNVUIQ-UHFFFAOYSA-N 429.517 2.040 30 10 IEEE O=C(CCc1cc(Br)ccc1OC(F)F)NCC#CCN1CCOCC1 1889325989 GFCZEJHBTLHYEO-UHFFFAOYSA-N 431.277 2.435 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)ccc21 1889950608 DOMKVQFHEHJKIW-GOSISDBHSA-N 426.498 2.094 30 10 IEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](N)C#CC(C)(C)S(C)(=O)=O 1901325992 OPAAHRQVKDHZIQ-IBGZPJMESA-N 437.606 2.167 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)C1 1991983503 IUKPJXKFQMDNSX-HUUCEWRRSA-N 425.526 2.086 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1993686970 QNGNRZXHOBHTDX-ARFHVFGLSA-N 427.542 2.190 30 10 IEEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2[C@@H]2COC(C)(C)O2)cc1 2033814109 LJKLYLHSOLIBMV-DZGCQCFKSA-N 431.470 2.499 30 10 IEEE COc1cc2c(cc1OC)C(=N[C@H]1CNC[C@H]1C(C)(C)O)NC(=C1C=C(F)C=CC1=O)N2 2060397648 IXTQNANZDPZION-WBVHZDCISA-N 442.491 2.028 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124521531 HYRGZRSWCIKHDA-SFHVURJKSA-N 448.369 2.268 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2232300073 POKGSTKFKHVKRP-HZPDHXFCSA-N 447.341 2.328 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2247860315 VFBNOVKFBVLQBY-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247941003 CJKYVRAYIPUYJE-SSEXGKCCSA-N 442.343 2.342 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@H]2C1 2254802522 OKWMUXMOAISSRM-IKGGRYGDSA-N 431.342 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629880 BXJQMBHSEKXNCH-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N[C@@H]3CCC=C3B3OC(C)(C)C(C)(C)O3)[C@H]21 2256665477 MBFADVLFPXDFPN-QBPKDAKJSA-N 434.342 2.457 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2256884129 DZXLMICUSCXSPF-BBRMVZONSA-N 437.321 2.160 30 10 IEEE CC1(C)OB(c2cc(C(=O)N(CC(=O)O)Cc3ccccc3)c(O)cc2O)OC1(C)C 2256938781 XZMVJJHVERWFFM-UHFFFAOYSA-N 427.262 2.124 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258890137 BMIKDNNBWUHWGB-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090278 CIWNCNADIMWZQM-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267136612 LRVALHDVRYOYMM-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267137681 SIYUZOVFVBZFMT-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267142541 WBFCXNVAUCGPMC-CQSZACIVSA-N 448.373 2.474 30 10 IEEE Cc1ccnc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267145140 BHIFQVIKCFTTHT-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267197719 NVMFIZIZGTUMJF-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267524594 SBUSBTCDCYNOFJ-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(C)(NC(=O)OC(C)(C)C)C1 2267525653 HYOKFHVDOCOKES-UHFFFAOYSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCC1 2267882802 XIGLYOKHKYBUBA-UHFFFAOYSA-N 446.357 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268647117 XJTSYJWKDIPKLW-OAHLLOKOSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268715999 BUEHUYNIGYKIRH-ZBFHGGJFSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268791907 AUEXHVDSXBFYSE-CVEARBPZSA-N 447.341 2.392 30 10 IEEE O=C1C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H](c2cccnc2)C1=C(O)c1ccc(Cl)cc1 2296549786 ZJQUMZQFHQLJBN-DOTOQJQBSA-N 432.885 2.344 30 10 IEEE COc1[nH]c(=N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2317502278 YRHUBMZIUQHYSS-HALDLXJZSA-N 431.342 2.089 30 10 IEEE C[C@H](Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)C1(O)CN(C(=O)OC(C)(C)C)C1 2322300267 FWPUBAPYOIWIDV-ZDUSSCGKSA-N 437.321 2.302 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306493 KLIKUVMKPYQAIM-HOTGVXAUSA-N 437.321 2.106 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccnc1 2327826644 HUWPOGUQLXDMIH-INIZCTEOSA-N 443.577 2.288 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2342613845 DJSDWSFGCQHBOY-UHFFFAOYSA-N 448.369 2.222 30 10 IEEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccccc2C)NCCN2CCOCC2)n1 14158260 CMMPGUITZUFTRU-UHFFFAOYSA-N 427.578 2.489 30 10 IEEE CCOC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N/C(N)=N\c3cccc(C)c3)N=C2O)cc1 40376039 UZHSFNVNGORGGC-KRWDZBQOSA-N 436.472 2.431 30 10 IEEE CCOc1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(CC)s3)n[nH]2)ccc1O 59039873 NWTBRYHGBSYBJZ-QGMBQPNBSA-N 448.534 2.500 30 10 IEEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@]23C(=O)N(C)c2ccccc23)cc1F 138092628 JABJKFMIRUMWPP-UPCAWOEVSA-N 437.471 2.248 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 204863632 RDSVBYKCBAUJJF-ZDUSSCGKSA-N 432.330 2.184 30 10 IEEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1 254747132 UQDOSLIPIAOGKX-UHFFFAOYSA-N 429.505 2.361 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)ccc1F 303495143 QOTZKEAWCRZGGE-OAHLLOKOSA-N 433.509 2.236 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c(C#N)cn1CCOC 446188730 MOCRFXLCXGLYPF-HNNXBMFYSA-N 442.398 2.341 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccco2)n1C[C@H]1CCCO1 461136166 UMRYWGDOQYGLGQ-IEBWSBKVSA-N 448.531 2.212 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCCN2C(=O)COc3ccccc32)CC1 466064447 BLPBUHKNBQZXIN-UHFFFAOYSA-N 437.475 2.345 30 10 IEEE CCNS(=O)(=O)c1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 482657422 LBDNCGSTPJBFRQ-UHFFFAOYSA-N 426.542 2.273 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 488373724 OIWUJIBLJLDWBB-GGTVJXIESA-N 443.569 2.124 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCc2nnc3ccccn23)cc1 489017246 UZEPVNMTOISQRL-UHFFFAOYSA-N 428.518 2.290 30 10 IEEE N#C[C@H](C(=O)c1cccc(-n2cncn2)c1)c1nnc(N2CCOCC2)n1-c1ccccc1 522480988 SJDHFYRCMCGBBU-HXUWFJFHSA-N 440.467 2.175 30 10 IEEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 525167713 XKILXAIMJWYVKM-UHFFFAOYSA-N 427.404 2.051 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(CC(=O)N2CCN(C)CC2)CC1 532703425 NXCJLHITVBBKLO-INIZCTEOSA-N 443.617 2.312 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 561214651 BIZCREZEKXFCJT-UHFFFAOYSA-N 448.541 2.320 30 10 IEEE COC(=O)[C@@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13 605695138 DDHQRXOAZNEFKY-OLUASRAKSA-N 430.497 2.095 30 10 IEEE COc1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)NCc1ccccn1 611101547 FTBDDBKMTYDZFL-OAHLLOKOSA-N 428.514 2.333 30 10 IEEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 685552582 NWAGLGVPYDOKNP-IBGZPJMESA-N 428.606 2.444 30 10 IEEE COc1ccc(C[C@@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 730227208 XTWANORXOFDJHR-OAHLLOKOSA-N 445.541 2.270 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O 741456569 QKCGPXZYQQFELC-KRWDZBQOSA-N 433.509 2.403 30 10 IEEE NC(=NOCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCC(O)CC2)cc1 744443069 QWGHHIUBYGISCR-UHFFFAOYSA-N 426.561 2.370 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 754941360 LRBPHUHMEUIPTR-QGZVFWFLSA-N 430.505 2.057 30 10 IEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 762213024 HPZAAUQIJJKXRY-QHCPKHFHSA-N 447.539 2.350 30 10 IEEE C#CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774236789 YRNBIYAYPUKYCV-ZWKOTPCHSA-N 435.546 2.084 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)c1 777814090 RUTQQQYWJGCVCF-LJQANCHMSA-N 449.536 2.403 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)n1 788533276 BSQJJTORTQWSOQ-IAGOWNOFSA-N 446.577 2.263 30 10 IEEE CC1(C)CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 789066490 MTBJGNGSTSUXFL-SFHVURJKSA-N 447.557 2.151 30 10 IEEE CS(=O)(=O)CC[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 789472046 JDDKBJZZPJILFA-KRWDZBQOSA-N 426.560 2.125 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 792662044 QRNVLLNFSHETBK-CLUXPMKYSA-N 434.495 2.359 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 800780026 HSSYFWFLPLYFLM-HTAPYJJXSA-N 427.505 2.275 30 10 IEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CC)[C@@H]1CCS(=O)(=O)C1 812037250 MGXKVKGQRLJQJS-CYBMUJFWSA-N 441.326 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 813650058 YJEJFHCRNPMYBV-QIEZACGCSA-N 432.521 2.153 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813745391 IIOWQNGYGATHFA-UXPWSPDFSA-N 434.562 2.492 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(C)(F)F 814707603 YLCKIHIOMMLMDC-HNNXBMFYSA-N 428.505 2.350 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1 916899952 UGYAHKGYYVYYTO-LJQANCHMSA-N 429.498 2.443 30 10 IEEE C/C=C(\C)C(=O)O[C@]12C[C@H](C)[C@]3(O)[C@H](C=C(CO)C[C@@]4(O)C(=O)C(C)=C[C@@H]43)[C@H]1C2(C)C 1073362413 GFAGCYRBGVCTPP-JZVWUJNQSA-N 430.541 2.476 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccccc2F)n1)Nc1ccc2c(c1)C(=O)NC2=O 1083902029 OWLDMFRETBHMAR-UHFFFAOYSA-N 439.432 2.004 30 10 IEEE COCCn1cc(C=NNc2nc(SCCCCOC(=O)C(F)(F)F)n[nH]2)cn1 1084365486 QUCAWFUFUNKMRQ-UHFFFAOYSA-N 435.432 2.071 30 10 IEEE COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1S(C)(=O)=O 1125645108 AUYCENGIWBOZFP-UHFFFAOYSA-N 441.509 2.461 30 10 IEEE Cc1cc(C(C)(C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1134280238 VFNQWCWWTVMDRF-KSSFIOAISA-N 425.348 2.432 30 10 IEEE N#C[C@]12CN(C(=O)COc3ccc4cc(Br)ccc4c3)C[C@H]1CS(=O)(=O)C2 1134645370 HYROBMBZSUXNSY-HNAYVOBHSA-N 449.326 2.378 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1141805122 ZKBABNQHFJLUEH-WMZOPIPTSA-N 449.573 2.221 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(CNc2ncccc2C#N)c1 1143293808 PEMYYBOGOGKYTI-NRFANRHFSA-N 434.544 2.238 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)COc1cccc(C#N)c1)OC2=O 1155923862 SKHWKTMCJVRONU-GOSISDBHSA-N 443.500 2.386 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1 1163431440 NEOPNIXXCKIAEX-YADHBBJMSA-N 426.538 2.458 30 10 IEEE CCN(C)Cc1cc(O[C@@H]2CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)ccn1 1174845155 KIJOCBCCSUGBFS-OAQYLSRUSA-N 432.524 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1176586652 DSCSVZHZJOLQTK-HXUWFJFHSA-N 428.533 2.401 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286304024 UBYPEEIUDIMBHN-ICSRJNTNSA-N 437.544 2.383 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286387481 RSXFBUIGAHZELB-OAHLLOKOSA-N 427.452 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1286429656 DRIYAQZFONXDCD-LJQANCHMSA-N 426.542 2.008 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1286444389 WJNJBBDCBLGKRL-SJORKVTESA-N 430.553 2.336 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@@H]2C[C@H]2CCC)CC1 1286473116 IQHWJABXIBWREV-YLJYHZDGSA-N 427.574 2.465 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286481307 CQYSNFNMSKXGDN-XMMPIXPASA-N 434.519 2.066 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286504904 SKJINSOSAVYODK-HZPDHXFCSA-N 448.593 2.041 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286608865 UVLLRVMJXWVFEC-XLIONFOSSA-N 441.532 2.346 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286710369 VLQAFHGSVZSCJU-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286835126 QXMOQLZKIAQKKQ-OAHLLOKOSA-N 446.543 2.393 30 10 IEEE Cn1cc(I)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)n1 1287525001 LHKIROKJTGKBMS-UHFFFAOYSA-N 435.269 2.295 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)OCC 1287776036 HTNLOQIVBDQSOM-ZWKOTPCHSA-N 442.965 2.419 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)n1 1290617004 FVAKACBUNZOUNT-PMACEKPBSA-N 440.596 2.379 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291499144 CPJAZYRMOVFZFG-QQMHEVNUSA-N 430.553 2.307 30 10 IEEE Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1298911564 MFRBRLLNIZOJKL-HNNXBMFYSA-N 428.447 2.387 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCC(=O)NCCC)c1 1300332318 CAKLPZVTSQYQAS-UHFFFAOYSA-N 445.527 2.313 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1300688658 HVERTTZBTDDWHF-RBUKOAKNSA-N 439.560 2.390 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1300698177 OXSOVAOSAVMVPS-ROTAYESASA-N 441.601 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCN2CC)CC1 1300726528 NQWMBVPIAMHFAQ-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1300806029 OUCSCJUHSJELQF-WZONZLPQSA-N 442.585 2.448 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300884900 MQEHODAYXKJZIT-MOPGFXCFSA-N 437.610 2.389 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1300949079 PJQAAHZMGVTIIS-SFHVURJKSA-N 428.512 2.275 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1301294444 QCXOGKMYAWAKBX-WMLDXEAASA-N 439.532 2.384 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1301492020 VHADDCXSXXEVLM-UHFFFAOYSA-N 433.516 2.334 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CC2)C1 1301539576 TZQCGFQMUCFFFK-PKOBYXMFSA-N 445.589 2.401 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1301612981 SLNGWETZLLKJMU-UXHICEINSA-N 434.654 2.308 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCOCC(F)(F)C(F)F)cc1 1302989667 OOEDIIAOZOSXII-AWEZNQCLSA-N 440.401 2.045 30 10 IEEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)[C@H](C)COC 1310961671 WZBRKLQAAZEZJG-MRXNPFEDSA-N 425.551 2.325 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC=CCO1 1314226821 WWVCLPQPMRHDCZ-ROUUACIJSA-N 425.489 2.330 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)n1 1359027710 TXINDYMSSBDNPF-UHFFFAOYSA-N 442.483 2.336 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1359260839 PMNYADPXEGUWPN-WMZOPIPTSA-N 442.495 2.102 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(CC(C)C)c2C)C1 1359312193 PDJPXCJJMVLQTM-LJQANCHMSA-N 429.569 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@](C)(CC)O2)C1 1359322357 UHYFYXLAJDLAON-WIRSXHRWSA-N 438.594 2.309 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCOCC2)C1 1359325613 JEWGKCGSQKDAFS-OALUTQOASA-N 445.539 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359329641 PRIQKDOPVKRUEJ-PGRDOPGGSA-N 446.573 2.320 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1360818541 GUPXIDBEUCDPCX-PKOBYXMFSA-N 438.532 2.246 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCCCCO 1360907476 HHWBTQWYLKBAPR-OAHLLOKOSA-N 433.582 2.448 30 10 IEEE C=CCCSCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1437474846 VPRFLDATULMBTA-OAHLLOKOSA-N 427.548 2.421 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1 1442641872 YYIAQEIHUHSFFS-OAHLLOKOSA-N 431.942 2.117 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1449501674 ATCOBITYHUDTCK-QZTJIDSGSA-N 446.552 2.118 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H](O)c4cccc([N+](=O)[O-])c4)CC3)n[nH]2)cc1 1452960034 OCAVGPOXXRQMCE-OAQYLSRUSA-N 432.440 2.239 30 10 IEEE COC(=O)c1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccn1 1454216778 AUPJELOUZPTOBR-JXORXQGFSA-N 428.489 2.271 30 10 IEEE C=CCC(F)(F)C(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2OC)cc1 1458001285 VHYUHVXSAROXNW-UHFFFAOYSA-N 428.417 2.445 30 10 IEEE C#CC(C)(C)N(C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1459941230 RMTIUGIWSKQBQV-AQTBWJFISA-N 445.541 2.200 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1461310313 UBHODTQWJSOTCG-SGTLLEGYSA-N 442.825 2.092 30 10 IEEE CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1472178945 GXQWHNGTQUZTOH-NRFANRHFSA-N 435.546 2.197 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1474349849 AGHMTMCVIBXFPB-XMSQKQJNSA-N 446.573 2.122 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1476730185 YJDAEEISBLVULL-LBPRGKRZSA-N 432.340 2.417 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1479285664 YCVLCIKERTVDQY-NRFANRHFSA-N 442.541 2.233 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)OC 1504994629 PNQZIWYLYRHIOO-KRWDZBQOSA-N 443.552 2.020 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCOC3)n1CCCOC(F)F)C2 1505317948 QYRYNNAGDGMGAW-CYBMUJFWSA-N 434.447 2.336 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCSC2)c1 1507552723 RRQXQPMXORTLIB-XMSQKQJNSA-N 441.557 2.054 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1507563503 WUJWXYDTMRKBIW-LJQANCHMSA-N 447.547 2.077 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507629547 NPJHMXJAXGWNOR-SFHVURJKSA-N 441.532 2.292 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1507803537 HRJBOHHGKZNEDK-PZJWPPBQSA-N 439.564 2.097 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507857662 RAXBBFBBLWDZNN-MRXNPFEDSA-N 434.928 2.112 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1507962087 MWNMVJOPBPYCAE-FQEVSTJZSA-N 442.539 2.283 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1507986814 IKAKMUGIEYDLJN-INIZCTEOSA-N 444.540 2.125 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508092415 BULGGUUBPFCEKF-DLBZAZTESA-N 429.496 2.161 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508106163 WHUTWRLVIDERNG-UHFFFAOYSA-N 438.576 2.369 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)CC1 1508237873 SVMBVPYDSFKMHG-UHFFFAOYSA-N 439.264 2.473 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2Cc2ccc(C#N)o2)o1 1510819683 PVAUEIQPLHMTSY-UHFFFAOYSA-N 437.504 2.006 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 1525459037 AKWJLNYPYRQHMP-UHFFFAOYSA-N 438.366 2.481 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cncc(N3CCCC3=O)c2)c1 1534106060 NRRAVKIFWYBKOU-CLCOLTQESA-N 441.513 2.274 30 10 IEEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 1538537583 DUCBIKWPKHAZLA-JOCHJYFZSA-N 443.525 2.271 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1539117399 XOXAWUBEEMJNOR-KRWDZBQOSA-N 447.543 2.180 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539210419 DXEVMLGCTJZUBI-SJORKVTESA-N 432.521 2.138 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1539295611 DFHQQNLHAYAGCI-INIZCTEOSA-N 449.964 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1539304701 DYULGGJTWJRMDE-HXUWFJFHSA-N 429.318 2.322 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCNC(=O)C(C)(C)C)CC1 1539454695 YEYQVKNWHSHZER-UHFFFAOYSA-N 436.604 2.371 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539505416 JYKOHGJWUJELBZ-NRFANRHFSA-N 446.598 2.335 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539505687 LKVNMFNEUYEPQT-UHFFFAOYSA-N 447.630 2.480 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540862275 XBBQIRHFAIDEMW-FJIDUMEYSA-N 433.553 2.491 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2C#N)C1 1540918757 UNUBDDFTVCDAGB-TUKIKUTGSA-N 428.514 2.027 30 10 IEEE CC1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCO)CCOCC(F)(F)F)COC1 1542015933 AKGQWIJZWIPCLY-UHFFFAOYSA-N 439.438 2.231 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1547307696 FEYCXORBVRNUKU-ZACQAIPSSA-N 434.541 2.156 30 10 IEEE COc1cc(C#N)ccc1OCCN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1559835234 DZOKJILUMAXBOJ-APWZRJJASA-N 441.450 2.494 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)c1 1565662664 QKMIFNKQILEFFI-UHFFFAOYSA-N 435.480 2.312 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1586376933 CCTFBYPWDGUGDJ-HNNXBMFYSA-N 432.498 2.360 30 10 IEEE COc1cc(N)c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1S(C)(=O)=O 1587757597 QMTZWLIRHCPVST-UHFFFAOYSA-N 426.416 2.481 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1587759161 PMEWAGBZOVSJIW-OAHLLOKOSA-N 433.438 2.404 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1587860839 CCXJYYWKUXMFJC-CTNGQTDRSA-N 441.601 2.304 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1587864765 AEAFHNNTAIOXFL-NRFANRHFSA-N 437.544 2.119 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1588113664 OZJVPRTYFDNSID-GOSISDBHSA-N 433.537 2.391 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCN(CC)CC1 1588420890 SXDSSXUTELZJMR-FQEVSTJZSA-N 434.592 2.002 30 10 IEEE CC(C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1Cc1ccc(C#N)o1 1598589684 MLABUKKJWOZLCJ-UHFFFAOYSA-N 436.520 2.294 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@H]1C 1613530421 DAQRBTGAFIOQFE-HJPURHCSSA-N 440.548 2.244 30 10 IEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1618188420 LKOIFHLEIFFGND-NRFANRHFSA-N 449.515 2.003 30 10 IEEE C=C(C)C[C@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1624255930 CHUWAESHRRHJRI-HNNXBMFYSA-N 437.290 2.449 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H](O)CN1CCCCC1 1627098589 GPOGXUGPYXELFI-TZIWHRDSSA-N 442.560 2.356 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCC(=O)N2Cc3ccccc3C2)c1 1628112820 HTNXFOVVMPOXFG-UHFFFAOYSA-N 429.473 2.175 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](CC(F)(F)F)C3)CC2)cc1 1630093953 GLCSLKTZHLFJHC-INIZCTEOSA-N 445.463 2.139 30 10 IEEE C#CCN(C(=O)c1ccc(OCC(N)=O)c(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1634813957 HMSXVBYBXVVBOA-UHFFFAOYSA-N 445.516 2.034 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)C2)C1 1635125557 FOJOUEBBUWXMOQ-WHOQDXFPSA-N 447.576 2.457 30 10 IEEE C#CCN(C(=O)NCCc1ccc(Br)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1635717793 DBEMYQSOXFHLSM-CQSZACIVSA-N 433.755 2.477 30 10 IEEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1645292108 JBQGBELAODXLCN-FEGOQTCUSA-N 435.565 2.456 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)s1 1647735194 YTINIQIDVYGUJC-QWHCGFSZSA-N 433.983 2.404 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)CC1 1647826020 RQYVKMPZNWNATL-IBGZPJMESA-N 440.523 2.141 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 1647847949 PPSXQWOBPQTTBB-BNGSBABLSA-N 429.540 2.366 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2 1648291585 LKGJGVBCNNUUDI-ZDUSSCGKSA-N 448.545 2.327 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[C@@](C)(C#N)C1 1655141413 NJZJAQSPQLICMW-NRFANRHFSA-N 434.562 2.434 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1669960308 YZSZMEISYRUTHR-IBGZPJMESA-N 449.511 2.488 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1680777785 REYYLFPOVQGFHJ-SOLBZPMBSA-N 441.347 2.159 30 10 IEEE O=C(NCCC1CS(=O)(=O)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1681664163 ZOGMKHXLNUFUPO-DTORHVGOSA-N 444.344 2.234 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)C1CCOCC1 1683593710 GYPSBACFLBHVKY-AEFFLSMTSA-N 425.451 2.338 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CN(Cc4ccccc4)C[C@@H]3C)CC2)c1C#N 1684615782 DHCFHPBQTOLBRF-RXVVDRJESA-N 435.576 2.200 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1689922345 KFIXLORVBZJGFX-FQEVSTJZSA-N 438.557 2.234 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1689940725 BJBCGMQSQQJPDP-IRXDYDNUSA-N 430.553 2.430 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1690095830 DZVPCDWEZSQBRM-MRXNPFEDSA-N 432.322 2.072 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2csc([C@H](C)OC)n2)CC1 1690120008 BLIQETBTZYIWLM-INIZCTEOSA-N 425.562 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690124773 TZMLNWZCETZKMS-RBUKOAKNSA-N 446.596 2.088 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCOC)CC1 1690237326 XRUYFGLJHXVQRM-IEBWSBKVSA-N 435.569 2.029 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1690245114 CVPWQMCXPRRGMU-KURKYZTESA-N 426.583 2.024 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOCC1 1690306302 SDSLTWYRKHETQO-UHFFFAOYSA-N 443.548 2.077 30 10 IEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1690503992 VDMZAWCVQZUPEA-UHFFFAOYSA-N 436.516 2.203 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1)C1CC1 1690543875 SATKTFPALJYFJV-OAHLLOKOSA-N 434.342 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C1Cc2ccccc2C1 1690725393 OLYFQLLEYHCAMQ-UHFFFAOYSA-N 437.569 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OCC)C1 1690726462 AYZXZHQVVQJPOX-QGZVFWFLSA-N 439.607 2.240 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H](OC)C(F)(F)F 1694740733 ZYFILUZVCPZEHX-DZGCQCFKSA-N 438.458 2.185 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695053127 VIKKHVUSDXLZMC-NYHFZMIOSA-N 426.521 2.258 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NC(C)C)cc(OC)c1OC 1697245999 HAORMCVLKMTVRI-AWEZNQCLSA-N 430.509 2.091 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705535781 XVPGPGQRRVDYFE-UHFFFAOYSA-N 438.551 2.166 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1705563917 HVRSMJSMCVHVCN-CNNODRBYSA-N 443.573 2.315 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705657334 AYUDDOHDPWQCNS-UHFFFAOYSA-N 440.602 2.447 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705830975 ZJQTVCFURQWPDM-UXHICEINSA-N 433.597 2.454 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1705862936 ZBDAKBUBLDKPQC-FXAWDEMLSA-N 442.539 2.282 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1705866136 ILMJSDUUJSQLCT-MRXNPFEDSA-N 449.602 2.308 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)nnc1C(C)(C)C 1705908396 BCGKOUJUKUMFMN-INIZCTEOSA-N 444.584 2.267 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCOC2)C1 1705919993 OCZDSDCLJAKDMH-SJLPKXTDSA-N 432.546 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOC(C)(C)C1 1705938432 YKNLCTLZRHGMPD-UHFFFAOYSA-N 438.525 2.212 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1706063603 XVVAHUHZFZIKCN-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CC#N 1709010771 AKPOOVHICGLBDL-CQSZACIVSA-N 437.508 2.017 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)s1 1709022017 FYZLYGIRGMLPIT-HNNXBMFYSA-N 425.518 2.416 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)cs1 1711417797 CUADRVDCKSVDBX-UHFFFAOYSA-N 430.559 2.372 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722309911 FPXFDJUETQAXBI-AWEZNQCLSA-N 440.367 2.463 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1722316542 JYBNQQPVKMVRAV-KRWDZBQOSA-N 448.618 2.157 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1722349785 AUSIOPHJNSHVOV-UHFFFAOYSA-N 429.484 2.103 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1722411416 GADDMIGHNYSXBT-SFHVURJKSA-N 435.569 2.251 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCn1cc(Br)cn1 1722426093 YEHGIXNXZDLAEY-UHFFFAOYSA-N 444.337 2.009 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCCCO2)CC1 1722433545 ZOPWTNYTVMNKTH-NZQKXSOJSA-N 431.581 2.033 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[S@@](=O)CC)CC1 1722443630 XXPBNNQGXPQFCC-HKBQPEDESA-N 441.601 2.242 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1722542002 SGCGLKMTPMWSHD-IBGZPJMESA-N 445.589 2.404 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CSCCS2)CC1 1722574221 HYYOYJGHNZUJSB-DZGCQCFKSA-N 431.653 2.139 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722694594 ATVXYTUMYHADED-HNNXBMFYSA-N 447.465 2.192 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)cc(OC)c2)C1 1722719805 ACVSGGHSCAXOEA-GOSISDBHSA-N 429.496 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(N(CC)CC)CC1 1722728449 WGKLSFZGNHNFNV-LJQANCHMSA-N 439.626 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCSC[C@H]1C 1722729339 JHWMWEGNHLPHBO-MRXNPFEDSA-N 446.602 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1722732251 WVOMRWBVDYZLTK-PXNSSMCTSA-N 426.583 2.157 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)SC)CCN2C1=O 1728528208 YZHFSCJMQQUOBH-RHSMWYFYSA-N 439.545 2.041 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)CC)cc1 1728875219 DMNIWZMELQYSAW-LPHOPBHVSA-N 442.520 2.024 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OC(C)(C)O2 1730762323 DBEINECQLWJINI-MRXNPFEDSA-N 440.504 2.151 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)COC)CC1 1730805716 UMVKYUPCJKCYKQ-QGZVFWFLSA-N 440.548 2.078 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C)CC1 1730871682 VTSBOIDVMYMDBD-IAGOWNOFSA-N 440.552 2.179 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1740618392 GYAZJHODLFGINC-GOSISDBHSA-N 436.965 2.388 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740718922 XEJSZAHUOQJQJX-HNNXBMFYSA-N 445.511 2.043 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1cnn(C)c1 1740763441 LILKXXFCGBYPOW-NQIIRXRSSA-N 427.553 2.142 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740818341 HOXQJMXGWVSJQI-JOCHJYFZSA-N 442.951 2.496 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1740847428 IMPKHRNVMOTIHA-UHFFFAOYSA-N 430.553 2.377 30 10 IEEE C=CCCCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1740881322 DFUXUAYRQLCHGR-HTAPYJJXSA-N 445.568 2.471 30 10 IEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740948876 OALQLGSOYDWYAU-HXUWFJFHSA-N 438.532 2.372 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1740958447 PFWGMACLMQUWPR-IBGZPJMESA-N 428.512 2.288 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740959039 YYJGIZAHBGIOCA-UHFFFAOYSA-N 425.493 2.083 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 1740980070 HNEDUCUXEKBZKI-DLBZAZTESA-N 449.602 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2)C1 1740982651 VPJVFFWBRSKKHV-IEBWSBKVSA-N 434.537 2.343 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CS(C)(=O)=O)CC1 1741800864 XWFHTDCSGVMDHU-AWEZNQCLSA-N 432.506 2.416 30 10 IEEE CC1(C)CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1741998321 GDDSFXZXGRFMHF-JOCHJYFZSA-N 440.527 2.489 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCN(C(C)=O)CC1 1748831287 JMXSVGDLUATDOK-UHFFFAOYSA-N 435.528 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC(F)(F)CO1 1748956731 HXWOQGUPMQZFAN-INIZCTEOSA-N 436.459 2.473 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749033192 AGSMCJVSAIDIQD-GOSISDBHSA-N 427.578 2.196 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1nc2cc(OC)ccc2n1C 1749051773 NBHKDVSEXIMEHM-HSZRJFAPSA-N 435.532 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 1749123881 JAEIIJUQFYSHKD-AEFFLSMTSA-N 445.955 2.436 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1749155620 HWJUZMUYLVQLRS-GOSISDBHSA-N 428.512 2.130 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1749234997 LKQBWIFXLVNQHD-UHFFFAOYSA-N 429.569 2.037 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1749671910 NNUZCFSYOMTHLB-QGZVFWFLSA-N 440.939 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749713286 RHIPYRPARQXQIC-QBNCKDSPSA-N 428.537 2.174 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749760083 BHXZQKPAVRJEMQ-SFHVURJKSA-N 444.609 2.099 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)[C@@H](C)C1 1749852923 WWDQPBQNTZTMGO-UWJYYQICSA-N 438.532 2.069 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C#N)CC2)CC1=O 1749860792 AMGCTJNQCFDKIV-IBGZPJMESA-N 433.516 2.052 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H](C)C1 1760101758 AQNNWAMRNAFPIE-OKZBNKHCSA-N 445.589 2.468 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760146580 QAYNAJUEKVAELX-IRXDYDNUSA-N 449.552 2.441 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(C)CN(C)C1=O 1760168088 NODDLGBSHYKVRN-LJQANCHMSA-N 432.322 2.264 30 10 IEEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCN(CC)S(C)(=O)=O 1760176897 VJZKKJNBQBANKO-UHFFFAOYSA-N 428.562 2.022 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1760189379 UDGQSMPIOJTTFH-IEBWSBKVSA-N 432.546 2.405 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCCCO1 1760214854 DQGLXHLKIPNPEX-OAQYLSRUSA-N 430.516 2.343 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1760224877 BNMQMVVZGZPYKY-XMSQKQJNSA-N 446.573 2.044 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(F)cn1 1760245338 ZVERFXNTRKGYHP-UHFFFAOYSA-N 443.504 2.017 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN(C)Cc2ccc(F)cc2)CC1 1760258285 SJBTUYSKQRXQFS-UHFFFAOYSA-N 435.551 2.310 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760368942 BXGLPOTZTKHPOA-MRXNPFEDSA-N 437.895 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760553688 YMODTWTWDOHANX-JXFKEZNVSA-N 441.557 2.421 30 10 IEEE CCN(CC(C)C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1766541103 XJVWPMQIHQZHPQ-MRCUWXFGSA-N 440.552 2.148 30 10 IEEE CN(c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1766952065 QMEDGCNKSLUTBF-ICFOKQHNSA-N 446.309 2.161 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1769261660 BEBFRARZDWRCBP-WJOKGBTCSA-N 440.573 2.080 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@@H](C)O1 1769489251 PJCYVNHDUKZLLD-OLMNPRSZSA-N 433.459 2.481 30 10 IEEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)ccc1Cl 1769854837 DDVZZODLCZKXGG-UKRRQHHQSA-N 437.953 2.486 30 10 IEEE CCOC(=O)[C@H]1CN(Cc2ccccc2)CC12CN(S(=O)(=O)c1ccccc1C#N)C2 1848662758 JJERZAVIQXKNOJ-HXUWFJFHSA-N 439.537 2.244 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)[C@H]1c1cccs1 1850411601 NKYVPSUQXZRAJZ-PXNSSMCTSA-N 428.558 2.268 30 10 IEEE COc1cccc(-c2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)n[nH]2)c1 1851795899 PNNCCSSCLDSALX-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE N#CCC1CCN(C(=O)CN2C(=O)C(=O)N(Cc3c(Cl)cccc3Cl)C2=O)CC1 1851834714 SVKRVDKVDMYLDY-UHFFFAOYSA-N 437.283 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OCc2ccc(C#N)c(F)c2)CC1 1852543957 XFROUMPGAHWWEA-SJORKVTESA-N 431.464 2.456 30 10 IEEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N(C(=S)N=CN(C)C)c1ccc(Cl)cc1 1852833579 BQYYXVVYDQYHCJ-HNNXBMFYSA-N 430.983 2.362 30 10 IEEE Cc1ccc(C(N)=NOCCC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)n1C 1853605371 FGLXFMDLOGKBJI-UHFFFAOYSA-N 427.553 2.085 30 10 IEEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccccc1N1CCOCC1 1858111905 XJNWEZCCESXRNH-INIZCTEOSA-N 428.514 2.411 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1 1858966268 AFSNDIFSHGAGQJ-UHFFFAOYSA-N 430.482 2.452 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(CO)CC2)=C(N)Oc2c1c(C)nn2C 1865228113 XAIJLMIHMXFAPX-HXUWFJFHSA-N 438.528 2.219 30 10 IEEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866023824 JCQHDXLVOUDXPY-UHFFFAOYSA-N 448.370 2.416 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2Cl)cn1CCO 1870656497 XAZYSKZTMCDFCG-UHFFFAOYSA-N 445.947 2.363 30 10 IEEE COc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)c1OC 1874377649 HCARALIGCNNZHM-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3SCC(=O)N(C4CC4)[C@@H]3c3cccnc3)C2)c1 1889540733 MYJZJWLUUZOOMN-STZQEDGTSA-N 449.536 2.176 30 10 IEEE CN(C)CC#CC1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1889664926 PFZDPKDHBBYKKM-FGZHOGPDSA-N 426.586 2.033 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cccn(Cc3ccccc3F)c2=O)C1 1891382560 SUDWMYCRESUMSN-QGZVFWFLSA-N 433.443 2.381 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1908210800 ZVMREWYZVGFVEL-YLFCFFPRSA-N 439.553 2.074 30 10 IEEE C=C(Br)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1929637198 JWFKCYXFRFNHEA-UHFFFAOYSA-N 429.336 2.479 30 10 IEEE CN[C@](C#N)(Cn1cnc(I)c1I)C(C)C 1995379834 HDDCNPVDIXQPRT-SNVBAGLBSA-N 444.058 2.230 30 10 IEEE CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 2053511447 UFLBLSHMDVNUDM-RYUDHWBXSA-N 432.571 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060633698 QLHOUCHEDFBHGH-DFFLPILJSA-N 436.358 2.157 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060633801 RPMRRLICBQAWTH-YHUYYLMFSA-N 436.358 2.419 30 10 IEEE Cn1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cnc1CNC(=O)OC(C)(C)C 2060818701 SHROWNVDTMRONB-SFHVURJKSA-N 438.532 2.295 30 10 IEEE NCC#Cc1cc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ccc1Cl 2145991255 HVXAPBOCGSTDSR-UHFFFAOYSA-N 445.928 2.468 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)C1 2247549300 LZSBHBJXGGJEBL-UHFFFAOYSA-N 439.553 2.293 30 10 IEEE C[C@@H](CCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248401258 GZCSSHXVPLYNIM-LBPRGKRZSA-N 440.375 2.281 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626812 KVSWCRKOPOBASW-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255803294 MDOPHAOFKIHEQO-GZBFAFLISA-N 449.382 2.428 30 10 IEEE C[C@H](Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2256034959 LHIYYRJETFCLII-AWEZNQCLSA-N 433.358 2.350 30 10 IEEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256622740 LFARUGBMGDUPPR-NRFANRHFSA-N 435.330 2.249 30 10 IEEE Cc1c(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998571 ZUVZNTYKIQGDSV-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CC2 2267099062 GXJONBAPWAGPRF-CQSZACIVSA-N 446.357 2.228 30 10 IEEE Cc1nn(C)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267145511 HHWUCTZGRCOKIM-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267147699 TXJKRJDKHRCLOC-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267227147 YZPZOFLXFNGRHB-CABCVRRESA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2267288495 CPDJGQUAKRKFKO-HZPDHXFCSA-N 448.325 2.039 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510645 OLXNVJIWDMCZJY-GOSISDBHSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267551576 NEPQQZOZLKRTST-UHFFFAOYSA-N 446.357 2.342 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871683 CSGLOXAAHVMOLE-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CC2 2267882940 YQJMPPZKKPKXLI-AWEZNQCLSA-N 444.341 2.048 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268631684 BFNFBADLMRRZRU-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H]2COC[C@@H]12 2268994676 XKDIFBQZRRDMSA-UAGQMJEPSA-N 449.332 2.248 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2270598500 LBHXBYFVVGSSEV-OAHLLOKOSA-N 441.259 2.054 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2315514997 GCPQUNVIZCQRPE-CQSZACIVSA-N 436.362 2.061 30 10 IEEE Cc1nnc(SCC(=O)NC2CCCCC2)n(N=Cc2cnc3ccccc3n2)c1=O 2321653558 MDSQTNDCMWNVCB-UHFFFAOYSA-N 437.529 2.313 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO[C@@H]1C2 2334270319 ZZGXXLXGMNDUKF-HLFMIMNKSA-N 448.325 2.133 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cc1 29759402 GNKPHBAZRSZMMA-QGZVFWFLSA-N 441.509 2.061 30 10 IEEE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467282 SISSNNUMBXDYJT-ATVHPVEESA-N 445.614 2.411 30 10 IEEE CCOC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N/C(N)=N/c3ccccc3C)N=C2O)cc1 40376269 WGJRXSMZXLHBAC-KRWDZBQOSA-N 436.472 2.431 30 10 IEEE COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1N=C(N/C(N)=N/c2cccc(C)c2)N=C1O 40376566 UJCNCHAPKIKCDN-HNNXBMFYSA-N 439.432 2.171 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)cc1OC 58996871 BSYZUWUDUQORLU-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE Cc1csc(NC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)n1 58997434 HJVDGJASCABKGR-FZSIALSZSA-N 434.463 2.360 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(F)cc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103101948 PTWBOWCHRFVEOJ-VZCCSQPZSA-N 430.388 2.165 30 10 IEEE CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@]45O[C@H]5C[C@]3(C)[C@]2(C(=O)CO)O1 135864850 BYWOITQBHUGMQO-MAKOIILSSA-N 432.488 2.435 30 10 IEEE O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2)c1ccccc1 137149023 RXCMKUGVRHFVTE-BSJFBBQISA-N 430.507 2.326 30 10 IEEE COc1ccc(CN2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254397197 AKMAJOSUUWJUBO-RBUKOAKNSA-N 446.550 2.371 30 10 IEEE COc1ccc(F)c(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 447259311 UYFKOTMJZCKWJK-UHFFFAOYSA-N 436.447 2.161 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccncc1 460693620 XSRNTQCWAJMUEU-NRFANRHFSA-N 437.463 2.687 30 10 IEEE C=CCc1ccc(OCC(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c(OC)c1 473714551 LYRVEJSCMCMLSW-GCJKJVERSA-N 438.480 2.346 30 10 IEEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 480344726 CGQRTEXRRXCOCL-AWEZNQCLSA-N 436.925 2.285 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 481916596 DQCWASPSFKEHCU-XAUMDUMWSA-N 446.598 2.486 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 482223629 OLTWZSFHUYDKHX-FUHWJXTLSA-N 442.541 2.019 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 495821629 ZSXGBFCPTFBVAH-LJQANCHMSA-N 447.557 2.008 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(F)cc1 514332045 IOERVVJCUDXHRT-UHFFFAOYSA-N 427.526 2.375 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2)c1=O 523306492 PEPKQWXMBLTWAU-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)CCCC#N 536087207 AASYTSQNGGWJAL-AWEZNQCLSA-N 428.308 2.238 30 10 IEEE CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542962763 WDGIOSVGKRKQKF-SWLSCSKDSA-N 436.925 2.237 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 583840806 PIPZPYKQELIOTR-PBHICJAKSA-N 435.525 2.060 30 10 IEEE C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1cccc(C#N)c1 610386801 MLAYCMUJNORELV-HNAYVOBHSA-N 441.509 2.327 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 610893621 JBZINWQCFBYZQW-OAQYLSRUSA-N 445.458 2.176 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc3c2OCO3)c1=O 614899112 MIKQUEPLPFISAW-UHFFFAOYSA-N 448.500 2.443 30 10 IEEE COc1ccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)cn1 730140799 HRNBWELYHXLWHY-SFHVURJKSA-N 441.557 2.290 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3F)c2=O)cc1[N+](=O)[O-] 730250852 CEBUONIVWGVRBM-UHFFFAOYSA-N 440.387 2.121 30 10 IEEE CCOc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCCC1 732696516 HTVUCQNCCPHZSP-GOSISDBHSA-N 447.561 2.074 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 746311267 CMHUKXUZJCCRPN-ZBBYCGENSA-N 428.489 2.285 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1COC[C@H]1C(=O)O 757265864 BVLFVNJAONKNAX-FSSWDIPSSA-N 448.475 2.133 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](OC)C(=O)O 757276636 QMMWYDCZZWGSKQ-SFTDATJTSA-N 436.464 2.133 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C(=O)O)CCOC1 757303414 CKLKXQBAVAIDQG-PXDATVDWSA-N 448.475 2.277 30 10 IEEE COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)N2CCCC2)cc1 774808244 DPAKJSPKZFTMNE-OAQYLSRUSA-N 436.512 2.145 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)n1 788860000 AZQYQPLFPRBPNI-HSZRJFAPSA-N 439.560 2.056 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc2c(c1)CCC(=O)N2C 789969321 ZLKSEQUMQHMRSU-UHFFFAOYSA-N 439.545 2.074 30 10 IEEE Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 797724198 FJJBWICKYWCTKU-VGVBMJIYSA-N 428.489 2.203 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CCc2nc(-c3ccncc3)no2)c(=O)c1C#N 816411059 RMKLLXJYZSYNRA-UHFFFAOYSA-N 443.261 2.247 30 10 IEEE C[C@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 857995390 HRXWGCDGHSVFHX-PVBRJXJSSA-N 427.482 2.028 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)NCc3ccccc3)n2N)cn1 1084649707 PZDQBOICKGTUTK-UHFFFAOYSA-N 427.538 2.014 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)o2)cc1 1125135634 IUQKKNSSAJTJRY-ATJXCDBQSA-N 446.529 2.177 30 10 IEEE CC(C)N(CCS(C)(=O)=O)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1137591178 ZDVODTUKFOATCY-NGEICVOHSA-N 427.567 2.055 30 10 IEEE CCOC1CC(O)(CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1155886134 OWACHWNMAIQGKW-ZUZNIGHFSA-N 429.517 2.439 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1180001264 ZAYSUUPWOVSEAX-OAGJVSPASA-N 427.501 2.070 30 10 IEEE C=CCc1cc(CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc(OC)c1OC 1221553504 INEWFGDMUWLTJZ-NRFANRHFSA-N 446.592 2.028 30 10 IEEE C=CCn1cc(CNC(=O)N2CCn3c(C(F)(F)F)nc(Br)c3C2)nn1 1230271622 IYIWSLKRUCAURV-UHFFFAOYSA-N 434.220 2.167 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)[C@H]1c1nccn1C 1265418678 WSZFOOSYFIXBAL-SFTDATJTSA-N 446.467 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCOC1=O 1286279855 QVNUKSKFIPHURP-HNNXBMFYSA-N 443.504 2.271 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286317499 RJKCNGAVFFIOLY-LJQANCHMSA-N 443.515 2.152 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286394642 PESGTGKXGDHQKR-FPOVZHCZSA-N 442.585 2.231 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1286399260 CLLVBABWFNQVGJ-KRWDZBQOSA-N 444.532 2.455 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2ccn(C)n2)CC1 1286483962 BHKAOKJLELINQZ-UHFFFAOYSA-N 433.560 2.205 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(F)(F)CO1 1286767710 DRKBXSXPFOHLPI-ZDUSSCGKSA-N 425.436 2.069 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1286788684 BYNYQLJZKPHHAE-QFIPXVFZSA-N 445.571 2.277 30 10 IEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(C(=O)NC)CC2)cc1 1286795564 CNCISTOTOACCMV-UHFFFAOYSA-N 447.543 2.338 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(F)CCC2)CCO1 1286941050 GQZFBILMKONWNK-LJQANCHMSA-N 426.496 2.440 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1288519941 QLQZTXCYCJDKFF-SJORKVTESA-N 447.561 2.393 30 10 IEEE CCNC(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CCC1 1296253765 CLXLPEONVYJWSV-UHFFFAOYSA-N 449.559 2.329 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCSC2)C1=O 1298878961 QQVZDYGFXGHOHH-IIBYNOLFSA-N 426.546 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300319763 DWCHUDXLJWMSMJ-MOPGFXCFSA-N 445.589 2.213 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1ccc2c(c1)OCO2 1300381478 SUTFCWKPGLURTN-HNNXBMFYSA-N 433.534 2.057 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1nccs1 1300438280 KBVQGVWKXYYQOE-UHFFFAOYSA-N 429.575 2.315 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNS(=O)(=O)CC 1300472718 HCDNCNVFLBXDNH-UHFFFAOYSA-N 433.578 2.163 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCOCC1 1300554588 FUTFHRGJNTYUEF-OAQYLSRUSA-N 448.571 2.331 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2(C)CCCC2)n1 1300681039 KFXNKNCXRGCEMS-LJQANCHMSA-N 439.564 2.292 30 10 IEEE C=CC(C)(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1301363971 BZRWKPQFGWJVJZ-UHFFFAOYSA-N 439.553 2.157 30 10 IEEE COCCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302129600 DBCAJZVVTYXBNO-VQTJNVASSA-N 427.505 2.322 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C1CC1 1303858616 DOTFWYZCMWVTDX-CYBMUJFWSA-N 449.968 2.075 30 10 IEEE N#Cc1ccc(Cl)cc1NC(=O)Cn1nnn(-c2ccc(Br)cc2)c1=O 1307399073 HFHOQRUOXHZQAV-UHFFFAOYSA-N 433.653 2.355 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1=O 1314929973 IDINWGITUKVLLM-MRXNPFEDSA-N 430.459 2.443 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 1316147853 GEVKQBCTTXDPMA-FUHWJXTLSA-N 438.532 2.431 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CSCCS2)CCO1 1316539796 QIXXMUOPHATJMW-CVEARBPZSA-N 432.531 2.431 30 10 IEEE Cc1c(Br)cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1[N+](=O)[O-] 1349463838 LKQVEYCQOWBDTM-UHFFFAOYSA-N 435.238 2.349 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCC 1349930305 DBUWUIOYRCCPCA-XLIONFOSSA-N 437.562 2.449 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)CC2)nc1 1357209008 AJFLPPJCKFXUEB-KRWDZBQOSA-N 441.285 2.146 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1358885821 RHZRKACIKOXWFS-MRXNPFEDSA-N 443.511 2.492 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1358886388 CSMXAIGBTHHDBC-KRWDZBQOSA-N 449.559 2.287 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1358927019 KECBPTYEPHNECO-UHFFFAOYSA-N 429.532 2.302 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1csc(C)n1 1358941444 KJCKWCGIQVMWHH-UHFFFAOYSA-N 444.586 2.272 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359048757 AYZLOYCTAURMMU-IAGOWNOFSA-N 425.624 2.162 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1359193706 IJJCTSYNMBXOHJ-NHCUHLMSSA-N 438.576 2.358 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@]2(N3CCOCC3)CCSC2)C1 1359321758 LGFJHKAWDANCCM-DENIHFKCSA-N 435.638 2.466 30 10 IEEE Cn1ccn2c(CCNC(=O)c3ccc(Sc4ccccc4C#N)cc3)nnc2c1=O 1439315636 WWJNLFXKCHUOAH-UHFFFAOYSA-N 430.493 2.423 30 10 IEEE COC(=O)c1ccc2c(n1)CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CC2 1440053325 MWOOCIHXHHGMDS-UHFFFAOYSA-N 427.482 2.144 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 1458714346 FXUGUBABYUOXNX-UHFFFAOYSA-N 449.280 2.387 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 1462435949 JSJOTOVJFRRCFN-CQSZACIVSA-N 436.306 2.225 30 10 IEEE COc1ccc(Br)c([C@H](CO)N(C)S(=O)(=O)c2cncc(C#N)c2)c1 1463732620 APSJKXWCXLVCGU-INIZCTEOSA-N 426.292 2.078 30 10 IEEE C[C@@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1463875817 YWPQSQNCVIVYRZ-BEFAXECRSA-N 434.512 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCCN(C(=O)NCCC#N)C3)[nH]n2)CC1 1469994981 KXMMYRLIVFZCFY-INIZCTEOSA-N 431.541 2.269 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 1475416903 UUKISZXVUIFAIP-IRLDBZIGSA-N 425.554 2.497 30 10 IEEE CCN(c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1501641941 NBEQLNSNGOYTTR-QURGRASLSA-N 448.531 2.278 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccccc1Cl 1505000060 PDJOPVPGQUKKRJ-ZOCZFRKYSA-N 449.939 2.292 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1CCN(CCN(C)C)CC1 1507671389 IBHXLMVLLKJFSY-UHFFFAOYSA-N 433.604 2.000 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(OCCC)c2)CC1 1507716107 MGNKEJASAPXPQT-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507787606 FVJATQFEQFZKQF-ZIAGYGMSSA-N 441.351 2.199 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 1507850742 ADWOYUWPTQHQQF-QKLQHJQFSA-N 445.589 2.417 30 10 IEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1508434147 ARVLBHJHBKPRFS-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE CC1(C#N)CCN(c2nnc(COc3ccccc3F)n2CCCn2cnnn2)CC1 1510296794 GXHCRIWJOHRFCA-UHFFFAOYSA-N 425.472 2.203 30 10 IEEE CCN(CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N)C(=O)OC(C)(C)C 1515711695 ICVHFLPBSDTQDU-INIZCTEOSA-N 433.557 2.367 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCO[C@@H]2CCOC2)CCOC1 1516170945 POPVDOVEJKMCCC-GCJKJVERSA-N 433.553 2.256 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C1 1517679562 CDUKSCVVGOOVII-HTAPYJJXSA-N 425.489 2.297 30 10 IEEE C=CCN(C(=O)CN1CCCC2(CC2)S1(=O)=O)[C@@H](Cc1ccccc1)C(=O)OCC 1522958069 AXRMQAWJYMWONE-IBGZPJMESA-N 434.558 2.134 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)CC2=O)cn1 1536467695 RDMFGTDIFFYFNM-CRAIPNDOSA-N 435.406 2.174 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@@H]1COCCO1 1539176298 LNAVFJYLSVBYEG-GOSISDBHSA-N 433.553 2.268 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN(CC)CC 1539177677 ATSSQJIRNRRNKP-FQEVSTJZSA-N 429.590 2.140 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539217035 ZUZZIYIDJXDXOL-SFHVURJKSA-N 439.541 2.151 30 10 IEEE C#CCN(CC#CC)c1nnc(CC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539325421 IKGBFGQSQJFSAD-GBESFXJTSA-N 427.549 2.328 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1539430638 KINFWIHWYQEIAX-GGAORHGYSA-N 436.604 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cnn(CC(C)C)c2C)CC1 1539475419 FTJSUFKPLZUVBP-UHFFFAOYSA-N 448.575 2.448 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539532685 CSRHRRIJURCGCB-LNLFQRSKSA-N 430.578 2.096 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOC(C)(C)C2)C1 1540893960 NUPXVDGDRDMFER-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540908571 YTFGOANUPBKEKI-AWEZNQCLSA-N 434.532 2.408 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1541710187 FMMPICDXUWRATR-HDICACEKSA-N 428.562 2.237 30 10 IEEE CO[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1554648191 HQLKAXURGFKIAX-VGSWGCGISA-N 439.495 2.305 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(-n2cncn2)c1 1555728409 RCECCIJIGGPORQ-KPFFTGBYSA-N 436.520 2.227 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)[C@H](C)O)cc2n1 1558514123 NEESTAVFLVFBMJ-YWZLYKJASA-N 428.514 2.197 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1 1562197868 VWWLVXRKMDARRX-UHFFFAOYSA-N 434.440 2.079 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCC1 1568507716 HBFVJVLWUGJEQI-RTBURBONSA-N 426.517 2.469 30 10 IEEE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1570514424 ADJNASHCFWDVKR-UHFFFAOYSA-N 435.484 2.448 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)CC1CCOCC1)c1cc[nH]n1 1585927317 XLGDIDFKMHWLEZ-UHFFFAOYSA-N 428.489 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587650691 FUTJHFGDJNCZDJ-MOPGFXCFSA-N 431.544 2.390 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)CCC)c1 1587689973 VOEYVOZPWSTDBG-HSZRJFAPSA-N 435.532 2.286 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1587697410 PSXYKJBDURXGAT-FQEVSTJZSA-N 438.580 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCN1CCOCC1(C)C 1588237465 BHXPYGHDRZHYBH-UHFFFAOYSA-N 435.572 2.451 30 10 IEEE C=CC1(CC(=O)N[C@H]2CCCc3nc(O)c(C(N)=O)cc32)CN(C(=O)OC(C)(C)C)C1 1588295594 SWUUUGKGWFOMKP-HNNXBMFYSA-N 430.505 2.193 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(CN3CCOCC3)c2)CC1 1588742533 SBXHQKBDQUAFKH-NRFANRHFSA-N 436.604 2.427 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCOC)C(=O)C1 1593865186 CLCNFWQAGKGPFY-UHFFFAOYSA-N 441.923 2.178 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1594193664 SMGBZNUXJMTAMH-CVDCTZTESA-N 433.597 2.442 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCc3ccccc32)nnc1[C@@]1(OCC)CCOC1 1595595703 YDUJQLMVXIOMJD-WMZHIEFXSA-N 425.533 2.356 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1595871067 FBBACSUFJOKJGQ-INIZCTEOSA-N 439.545 2.434 30 10 IEEE C#CCC1(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CCOCC1 1596539858 VQYQOPZJHMYFIZ-UHFFFAOYSA-N 435.727 2.052 30 10 IEEE CC[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1596763280 HNXFOQBSEUCTRF-QGZVFWFLSA-N 449.573 2.443 30 10 IEEE Cc1cc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c(C#N)cc1[N+](=O)[O-] 1611849389 KYMRJDWWTRALOK-UHFFFAOYSA-N 426.458 2.162 30 10 IEEE Cc1ccc(O[C@H](C)C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c(C)c1 1615577598 JBPIQDRYROXVET-RTWAWAEBSA-N 429.561 2.286 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(NC(=O)COc2ccc(C#N)c(Br)c2)CCOC1 1616777944 WCMIBXVLIGFYRQ-GOSISDBHSA-N 425.279 2.317 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1617570016 CHTNMDBKHGUOCC-MBSDFSHPSA-N 435.532 2.109 30 10 IEEE C#CCN1CCCN(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)CC1 1618029799 HETIXZOUUVOFPI-UHFFFAOYSA-N 436.541 2.241 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CCCCCCO)c1 1620349129 LSGUAMMXCBFCQO-HXUWFJFHSA-N 437.548 2.410 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNc2ccccn2)cc1 1620351702 DUSAGHJBNUTETR-FQEVSTJZSA-N 444.499 2.355 30 10 IEEE N#CCCN(CC1CC1)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1620359353 XOEYQEKVZWSXRC-UHFFFAOYSA-N 434.591 2.096 30 10 IEEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2sc3ccccc3c2Cl)CC1 1621835310 KOXSMTAQMVYWLU-UHFFFAOYSA-N 425.963 2.001 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1627392313 AGVAQTFUXUQCTB-ZTBDEIDFSA-N 435.528 2.146 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1628334691 CWHTURIDVQZHFU-UHFFFAOYSA-N 440.466 2.395 30 10 IEEE Cc1ccc(CN2CC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1632588380 XWIGHRDWFBQBHO-LJQANCHMSA-N 440.569 2.204 30 10 IEEE C#CC[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccccc1 1633350489 FXBYDLCSQQTNGS-NRFANRHFSA-N 426.542 2.113 30 10 IEEE C=CCNc1ncc(C(=O)N[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)s1 1634151902 VLQMWCURXWRILG-IBGZPJMESA-N 437.543 2.353 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1634240400 KCDFARSZSZTQSP-GOSISDBHSA-N 430.505 2.418 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1634589300 YXIOPCYZIDBJGV-ACBHZAAOSA-N 426.517 2.469 30 10 IEEE CCCN(C)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)cc1 1635162163 ASPXMMISKGETGK-HQRMLTQVSA-N 438.981 2.303 30 10 IEEE Cn1c(C(F)(F)F)nc2cncc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c21 1635702140 ZZNDQBQJUATTPM-HNNXBMFYSA-N 442.401 2.390 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)c1 1636394280 XIYRGPKHFWRLSJ-GUDVDZBRSA-N 445.338 2.429 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H](C)O)ccc1Cl 1648842594 RQXXXFSVFXVLRB-RDTXWAMCSA-N 438.933 2.193 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOC)c1 1655832613 NVBJPWLBJXVOGT-LJQANCHMSA-N 444.532 2.274 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)CC1 1659881386 NUZOAGAJGQOAJI-TUFLPTIASA-N 447.624 2.304 30 10 IEEE C#CC1(NC(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCCC1 1669357312 XQKQRINFOVSUPI-UHFFFAOYSA-N 435.546 2.102 30 10 IEEE C#CCN(C(=O)NCc1nc(COC)n[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1686976883 ZXLFMIOJELBAIL-CQSZACIVSA-N 434.294 2.382 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1689941629 SIXJKJOYWABXOH-WZONZLPQSA-N 431.581 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690056138 HBRJYXOKYODJHV-XZOQPEGZSA-N 433.556 2.494 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)COC)CC1 1690133457 HPXMOLWVOWWKNF-UHFFFAOYSA-N 427.549 2.294 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690312995 IOGCSFRZHZCKPO-LJQANCHMSA-N 430.553 2.302 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1692341284 FOPDSYXVOLVGHS-IBGZPJMESA-N 431.585 2.001 30 10 IEEE COCCN(C)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698028483 GCHHQEYWOYMWGW-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@H](C)C1 1698060275 ASVMJJYHJCQAEU-ROUUACIJSA-N 431.585 2.106 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCOCC)c1 1705504538 ZMEGNXYALOADPL-UHFFFAOYSA-N 447.499 2.018 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1705524840 SVVKCADJQLRXKL-MRXNPFEDSA-N 429.496 2.441 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1Cl 1705629188 ZBGNSNYWIVZSHL-AWEZNQCLSA-N 440.928 2.107 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1705641460 GZOYAHGNDQRTOJ-RUZDIDTESA-N 449.555 2.328 30 10 IEEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705758048 IHSDHYCWKXMEPQ-UHFFFAOYSA-N 444.923 2.173 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1705876085 OQTBJHRDXUASFH-HXUWFJFHSA-N 445.589 2.341 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705895707 PONYRYMGKQONIG-MRXNPFEDSA-N 430.940 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1705900092 QAXVGYVMOUXWFV-UHFFFAOYSA-N 442.527 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705932453 DRUQINMWKUYYHI-DLBZAZTESA-N 433.553 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705934081 ANPVYBQYRXVFLK-UHFFFAOYSA-N 431.562 2.448 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1705943510 CPKWXXIPUBQGCV-INIZCTEOSA-N 448.593 2.082 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706342988 WHLKNXVJOTVYGJ-NFFVOIMASA-N 435.532 2.273 30 10 IEEE CC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709266152 ODISDCFNFGTGES-WFJJUKAGSA-N 428.537 2.325 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1712254205 FMRBXERRZNNACP-GCJKJVERSA-N 443.573 2.460 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCCNS(=O)(=O)CC 1722348591 HNQIVTRWCDAYBB-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722534562 RMCIMNIWEFRCGN-SFHVURJKSA-N 434.562 2.094 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1722607017 YFBSCWLTKVLPQS-UHFFFAOYSA-N 427.553 2.375 30 10 IEEE CC(C)c1nnc(N2CCC(N3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723163327 QCBSCLYZGTZZBL-LSDHQDQOSA-N 441.580 2.383 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCn2ccnn2)CCOC1 1723676358 IRXNMEIKPPGRMP-OAQYLSRUSA-N 428.541 2.131 30 10 IEEE Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C#N)c(N2CCOCC2)c1 1724354259 DHXSAVKTSINATD-GOSISDBHSA-N 434.548 2.468 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729119448 YDPBOKYOKJNFNO-QQMHEVNUSA-N 428.537 2.325 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1729152675 FSWUCGDJQSEPKM-IBGZPJMESA-N 448.531 2.251 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1730900127 AHHKRCNIZAYPJT-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740570161 BREZKYNAXKUYPH-UHFFFAOYSA-N 430.578 2.360 30 10 IEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740621698 OENHQOJYPPJIPA-KRWDZBQOSA-N 441.557 2.100 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccccc2F)n1 1740689457 WZPZHONLNXQDHF-IBGZPJMESA-N 438.507 2.452 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)C(=O)NC)CC1 1740699275 AFANWFCOASXCAA-UHFFFAOYSA-N 438.576 2.001 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1740704248 MLDUUSTXJVAMOV-GCJKJVERSA-N 446.555 2.455 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1740792790 MGEYXGPRZOLROJ-VQIMIIECSA-N 427.505 2.050 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740837688 QNNBBAWGSRPBHO-UHFFFAOYSA-N 443.552 2.375 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc3ccccc23)C1 1740972053 CELZMKNEZIQGCT-RDJZCZTQSA-N 445.545 2.464 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCO[C@@H](C)C1 1740998158 ICHSOWIDNWVAQD-INIZCTEOSA-N 426.550 2.455 30 10 IEEE CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1741420090 IZELXVSSQMDFFX-VFNWGFHPSA-N 431.516 2.424 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCCCO 1741962604 JEXUPNUWHGJCQT-QAPCUYQASA-N 435.525 2.402 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1747433025 QNZDXOVHNOJRNC-NRFANRHFSA-N 446.577 2.413 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747868892 BYFWUDNNCVOYMR-QBEKEKFNSA-N 428.537 2.010 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1748713182 PFTVCOURAAYKPW-UHFFFAOYSA-N 429.484 2.271 30 10 IEEE C#CCN(c1nnc(C)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805165 PDHWYUNRXWRITC-XLIONFOSSA-N 429.590 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(C)c1 1748892718 VZYYIMYKRKDJPP-VQTJNVASSA-N 440.569 2.419 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1748906826 YUEBCHMPLNKZQR-AEFFLSMTSA-N 445.589 2.477 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1748956234 NSIKUHWBFYCIEJ-HSZRJFAPSA-N 441.601 2.239 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2cccc(F)c2)n1 1748970993 ZKMWMWUAKJNCIR-UHFFFAOYSA-N 448.506 2.349 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NCc2ccco2)CC1 1748983272 LWJMCSOKCVLVNH-UHFFFAOYSA-N 432.528 2.172 30 10 IEEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCOC)C(=O)C1 1749275516 DXWIRYJYGCJGCC-UHFFFAOYSA-N 428.924 2.329 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1749427473 QTMZMPDMGGMFKM-FQEVSTJZSA-N 445.589 2.448 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1)C1CC1 1749508779 ZRTCGPVJFHFRCL-UGSOOPFHSA-N 425.580 2.012 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCOC1 1749590101 OTKCAJYLXOZAIN-QFIPXVFZSA-N 426.521 2.119 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCS(C)(=O)=O 1749627768 YFNXOOKDVDBPOC-UHFFFAOYSA-N 441.598 2.450 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1749676448 QMXSBODPZJOLPZ-XMMPIXPASA-N 432.528 2.318 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCSCC1 1749727094 MVYGQNLBHQYDBB-UHFFFAOYSA-N 438.575 2.116 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)C1 1750550084 FEBMZRRROJQNAL-IBGZPJMESA-N 432.532 2.340 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1760148746 KYHJUBRIFRLSIY-UHFFFAOYSA-N 444.967 2.231 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N(C)C)CCSC1 1760237373 HOYPJMPNPMMHQC-FQEVSTJZSA-N 432.619 2.166 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccs2)CC1 1760396350 BAUKOFTXBRMYQV-KUHUBIRLSA-N 439.607 2.260 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]2CCC[C@H]21 1760526399 NAROUNRZDNMBKP-HZPDHXFCSA-N 428.562 2.341 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760565445 XLHDNRZOXAWGLT-QGZVFWFLSA-N 431.566 2.026 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1cc(C(C)(C)C)no1 1761474328 ZTIVRYZILFVZFZ-AWEZNQCLSA-N 449.581 2.352 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCc2ccccc21 1769845566 OBEAEVOEAIOYCU-XXBNENTESA-N 425.533 2.373 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ncn(-c2ccccc2)n1 1770177712 RPMASTRLZWCWAP-ZWOKBUDYSA-N 436.520 2.227 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC[C@H]1C 1770657138 DVHLFURGMCRFTK-OXQOHEQNSA-N 438.532 2.116 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1771535410 MEQHITPIWPUMEZ-LJQANCHMSA-N 445.518 2.360 30 10 IEEE C=CCC1(S(=O)(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)CC1 1848491579 ZUBGAPKMGOZCHT-UHFFFAOYSA-N 433.509 2.039 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)CC1 1849729246 SCHPHFKCSLXTDW-FQEVSTJZSA-N 444.601 2.314 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc(-n3cccn3)nc2)cc1 1851950772 MIRXPGTYVWRAOX-NRFANRHFSA-N 433.468 2.076 30 10 IEEE Cn1c(=O)ccn([C@@H]2CCCN(C(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)C2)c1=O 1852939386 IMLYYQAOYBWPSW-MOPGFXCFSA-N 429.480 2.075 30 10 IEEE N#CCC(=O)N(CCn1nnc2ccccc2c1=O)[C@@H]1CCCN(Cc2ccccc2)C1 1853587646 MTDJPKASIJDXEK-HXUWFJFHSA-N 430.512 2.198 30 10 IEEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)c4sccc4F)C3=O)CC2)CC1 1853742580 AOZZJSKOKXOFRJ-KRWDZBQOSA-N 432.521 2.102 30 10 IEEE C[C@@H](CCC#N)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccccc3S(C)(=O)=O)C2)CC1 1853943967 SYTRTTPKQSSYTR-FUHWJXTLSA-N 431.558 2.483 30 10 IEEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)C1(C)C 1856106626 KJAQCBOFTUEOIR-HNNXBMFYSA-N 430.574 2.185 30 10 IEEE CCN(C[C@@H](O)CNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(C)c1 1858025627 KQGWXTKZTHAASD-KRWDZBQOSA-N 435.933 2.322 30 10 IEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870904160 JGTKEUMFCIGWMZ-UHFFFAOYSA-N 432.473 2.232 30 10 IEEE C=CCn1ncc(NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c(Br)c1=O 2106092754 GTXMQYBQSNGAOD-QGZVFWFLSA-N 429.315 2.288 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2215641439 FFPNPVXVUDWJIC-GFCCVEGCSA-N 448.305 2.463 30 10 IEEE CN(CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2243435953 ZNWAXNORBDQUFL-UHFFFAOYSA-N 436.408 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2248437969 SAFXDOCTMHHAEQ-LJQANCHMSA-N 439.343 2.065 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255602250 OZSLCGYAYZGFAI-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)CC1 2255627006 MSKPINKGUHCUFK-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE Cc1c(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255632630 PFRIQVGVCJUSIF-CHWSQXEVSA-N 436.362 2.059 30 10 IEEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255854918 IQBVUPSIAYZHJZ-JOCQHMNTSA-N 435.334 2.073 30 10 IEEE CON(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)OC(C)(C)C 2255935040 BBGZHJREBHQNDL-UHFFFAOYSA-N 436.314 2.220 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256679439 LLTNFTWTZOKRIS-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267002214 WJWXIQBAUOZDNC-LSDHHAIUSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267093795 YCSKYSZNHWXKSB-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267137704 OUVMFOWZUBSINA-CABCVRRESA-N 448.373 2.189 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)n1 2267147856 UQHYMBDDLIDVJQ-UHFFFAOYSA-N 448.373 2.330 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)[nH]n2)OC1(C)C 2267148176 ZQSVHARZLVBJJO-GUDVDZBRSA-N 436.365 2.349 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267152753 ORDNCGNOWCPDCN-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)n1 2267153663 SFHZKDJKWRLCCK-GOEBONIOSA-N 448.373 2.235 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267179649 SSSGGCDQMMMWHP-HUUCEWRRSA-N 448.373 2.330 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267183797 IHLFTTRAJUQRIA-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)COCc1ccccc1 2267227137 RAPOYURUJCLEHA-HXUWFJFHSA-N 442.365 2.457 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267505355 HCERQTYMYUGXQJ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267518349 DMXLJIRQDVSIID-CYBMUJFWSA-N 444.259 2.418 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC3(CN)CCN(Cc4ccccc4)CC3)o2)OC1(C)C 2267559136 LUJMZRWSMOUFJG-UHFFFAOYSA-N 439.365 2.302 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2272649776 FFVBUIXAOBNQAQ-WNSKOXEYSA-N 443.353 2.368 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2319266153 JEXBDAAJWUUBSR-OAHLLOKOSA-N 427.310 2.143 30 10 IEEE Cc1nnc2ccc(=NN=Cc3cc(Br)c(O)c(Br)c3O)[nH]n12 2328809202 BYXCVKDENQFEDP-UHFFFAOYSA-N 442.071 2.237 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204623 NIJGXKWXQATMLX-CQSZACIVSA-N 448.373 2.095 30 10 IEEE Cc1cc(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343650049 SAQLYALSYHKVGC-GOSISDBHSA-N 448.369 2.186 30 10 IEEE C=CCN(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)S(=O)(=O)c1ccc(OC)cc1 36014690 UCQQNRUDDWEFQD-UHFFFAOYSA-N 434.514 2.497 30 10 IEEE Cc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 58451541 IQAPXHRRXFAEAS-UHFFFAOYSA-N 429.458 2.313 30 10 IEEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 59309819 CMIXKMNNBFFCMT-QGMBQPNBSA-N 429.466 2.240 30 10 IEEE O=C(COC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)Nc1ccc2c(c1)OCO2 96482195 LEVRGISUQIJTOX-YVMONPNESA-N 428.363 2.254 30 10 IEEE C=CCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)[C@@H]1CCS(=O)(=O)C1 108704630 PKUZFBIWRZKJOO-MRXNPFEDSA-N 440.568 2.364 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 238811325 AJPFYSGOXTUGPU-JTQLQIEISA-N 429.321 2.404 30 10 IEEE COc1ccc2ccccc2c1-c1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)on1 409483012 HFKRGXILODINAB-MRXNPFEDSA-N 428.470 2.062 30 10 IEEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409552911 LUUCWOQCBVYTQK-SNVBAGLBSA-N 445.444 2.364 30 10 IEEE CN(C)c1nc(N)nc(COc2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2)n1 436408495 MNRVPDMSGAUODA-UHFFFAOYSA-N 429.484 2.641 30 10 IEEE CC[C@@H](CO)N1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 444037497 VTLSVAPGWNOROS-INIZCTEOSA-N 432.575 2.622 30 10 IEEE CCc1cnc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)s1 487518085 LDDFORUKCPGKGU-LJQANCHMSA-N 438.557 2.210 30 10 IEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CCC(=O)N(C)C)CC1 508502934 CWSVVDVCAWIPNO-UHFFFAOYSA-N 426.565 2.260 30 10 IEEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508897962 ZWRPORVSCDATOP-NRFANRHFSA-N 442.583 2.425 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 523499416 NFPKTKWEUYHOIT-IBGZPJMESA-N 427.530 2.084 30 10 IEEE COCc1nc([C@@H]2COCCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)no1 544641218 SJSVGDOLWBQTQP-HNNXBMFYSA-N 427.396 2.018 30 10 IEEE CC(C)(C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1O 544658569 GWHDXSLEEAPILS-UXHICEINSA-N 433.574 2.214 30 10 IEEE CSCC[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1nnc2ccccn12 544888535 LXPYBUOOQRLZLB-QGZVFWFLSA-N 436.545 2.322 30 10 IEEE C[C@H](c1ccccc1Cl)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 558473187 WTDJICQXODGTIB-MRXNPFEDSA-N 446.960 2.395 30 10 IEEE CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)[C@H]1n1cccn1 575434632 KLHJBJFGOTVRKK-SQWLQELKSA-N 425.308 2.214 30 10 IEEE N#Cc1cccc(C(=O)N2CCC(N3C(=O)[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3=O)CC2)c1 581814236 LZKCRZZSNBCTMU-ZRZAMGCNSA-N 442.519 2.280 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)CC1 589865048 KXMVWIFTWBZREQ-UHFFFAOYSA-N 428.496 2.195 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1F 611277658 YRCXMICQFBRZBR-UHFFFAOYSA-N 429.470 2.467 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 672197533 ICQNQTYMDWYKJD-JGVFFNPUSA-N 439.303 2.465 30 10 IEEE C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)N(C)CC(=O)NC1CC1 728109813 UKXJEWVWKBXVHR-AWEZNQCLSA-N 425.441 2.013 30 10 IEEE C#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 729332130 UDJAYHFXCWDHDY-CQSZACIVSA-N 425.919 2.131 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(C)C)c2=O)cn1 732560941 CXHLOKREJYWFBI-UHFFFAOYSA-N 436.537 2.177 30 10 IEEE C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)Cc1ccc(F)cc1 744211226 DOWBVDVWWFFBSU-UHFFFAOYSA-N 448.498 2.118 30 10 IEEE COc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)cc1C#N 746925237 FPRZVJKOFSYFRC-UHFFFAOYSA-N 437.568 2.296 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CCC2=O)cc1C 760541839 JFHYBEDGFKZQJP-RBUKOAKNSA-N 432.528 2.445 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 771257860 UAJUXPJQRSKYSK-QYODFIHFSA-N 437.566 2.316 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 777363694 JOGRFEFFWHQLCW-UHFFFAOYSA-N 426.517 2.393 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)[C@@H]1[C@@H]3CCCO[C@H]31)CCCC2 780123522 URTMWFBUIBAJBI-XYAWUURFSA-N 427.501 2.324 30 10 IEEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1 781513585 DIFGGYXPFQEOKK-UHFFFAOYSA-N 431.857 2.079 30 10 IEEE CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784973824 FHYURLDHEBZCFD-CULCSUMMSA-N 432.546 2.253 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCO2)c(OC)c1 802687813 YQFPNQJMSLXVQJ-MJGOQNOKSA-N 438.532 2.318 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 807171320 QQJMIDUSSZSCPO-MSOLQXFVSA-N 431.489 2.305 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1cccc(OC)n1 811045592 GIWBUYMTHFBIEQ-MRXNPFEDSA-N 445.497 2.114 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 813730365 NZYDEHLVZGSQKV-HNNXBMFYSA-N 434.905 2.150 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)[C@@H]1CCS(=O)(=O)C1 813797981 XRRYQAZOJSRYNF-IAGOWNOFSA-N 439.578 2.141 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@@H](OCC)[C@H]3n3cccn3)ccc2c1=O 819391428 JMSSGAVFQAUEMQ-KURKYZTESA-N 425.514 2.216 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)c(F)c1 856684322 BLDNLCRKCARRDS-UHFFFAOYSA-N 442.491 2.464 30 10 IEEE CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](CO)[C@@H]1O 1083524775 GQESMUJMZIWSMJ-VOFPXKNKSA-N 431.570 2.174 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 1084352314 CETUOYOZGSGUON-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE COc1ccc(C=NNc2nc(SCCC(=O)N(C)C)n[nH]2)cc1OCn1cccn1 1084366725 IMQBFJCUGUPUOR-UHFFFAOYSA-N 444.521 2.063 30 10 IEEE COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)COc1ccc(C#N)c(Br)c1 1132353472 XQWPMYLWJYZPQB-MLGOLLRUSA-N 425.279 2.174 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(-c4ccc(Br)cc4)no3)C[C@H]1CS(=O)(=O)C2 1134649948 SDLRCCQXSRRPRK-YVEFUNNKSA-N 436.287 2.114 30 10 IEEE CN(CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)C1=NS(=O)(=O)c2ccccc21 1153814906 CFNDMTUXCNNUGR-UHFFFAOYSA-N 447.366 2.152 30 10 IEEE Cc1nc(SCC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(C#N)c(C)c1C 1162107549 JBERSBYXNRQXMQ-UHFFFAOYSA-N 434.562 2.459 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)ccc1F 1167924758 GCOYTBVRMWHZAA-IBGZPJMESA-N 433.505 2.319 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC12CCOCC2 1286376049 DPXIVULKKGIIMD-ROUUACIJSA-N 445.564 2.473 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286391962 GCKUDLDHBVJMKO-RTWAWAEBSA-N 449.665 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286423061 IJZATSJSNLSMTN-HXUWFJFHSA-N 436.560 2.252 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1286429726 JDBQJKNGEMZIIS-HXUWFJFHSA-N 427.512 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1286433199 AXBKAAJHGMXDLR-UHFFFAOYSA-N 432.484 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@H](O)C1 1286434374 YFXLGELSGQRBRY-ROUUACIJSA-N 425.558 2.284 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@@H]1CO 1286440277 SLKRCLNABUWAMT-LJQANCHMSA-N 425.533 2.370 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1286668470 RNANEWFPQHDWEF-INIZCTEOSA-N 431.562 2.263 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC2(CC1)OCCO2 1286714725 UWPWZNZLPKIFII-UHFFFAOYSA-N 433.553 2.115 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOCC2(CCC2)C1 1286780689 YMQQVMIHIQBRQM-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286792041 KVFLOKIEYBTGNW-WOJBJXKFSA-N 438.576 2.449 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCC(=O)N2CCOCC2)cs1 1290410235 BBSJUCCUALDDKW-UHFFFAOYSA-N 443.577 2.013 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1292276389 BAURFUIJFQFIFP-UHFFFAOYSA-N 437.552 2.065 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CCO1 1293636868 FAIUTOYGUGGOHO-XMSQKQJNSA-N 429.521 2.131 30 10 IEEE Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1294016809 GUTQKJBUGILOKL-UHFFFAOYSA-N 425.463 2.055 30 10 IEEE CCOC(=O)CON=C(C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc[nH]n1 1296380274 SXVLNWGMYLYEDL-OAHLLOKOSA-N 443.287 2.240 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCc2ncnc(O)c2C1 1296619675 BIGMYGIQFGEDLR-IBGZPJMESA-N 435.484 2.473 30 10 IEEE CCOCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1297429643 QSBUEGACIOCZGT-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1300308590 CRMHIRPCYUJZSA-FXAWDEMLSA-N 425.533 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC(OCC)C1 1300590731 DTPMQFUKJMLODR-UHFFFAOYSA-N 433.512 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(COCC)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1300675961 XJZNPJVBQANXSF-UHFFFAOYSA-N 434.850 2.355 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1300695817 KQWUDFPZIDADEE-UHFFFAOYSA-N 433.413 2.039 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccoc2)CC1 1300731329 OKWKOKROVQPWHC-UHFFFAOYSA-N 449.511 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 1300879697 FASFNCLOUMVGJS-WBVHZDCISA-N 437.470 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300889694 DFPGQAUJGJKZNN-LEDOBFOHSA-N 444.624 2.249 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301150636 YVZJNPRGSASYDY-AWEZNQCLSA-N 437.566 2.477 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC1CCOCC1 1301499967 HUXHJHDITJXCDH-FQEVSTJZSA-N 441.532 2.346 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NCc2ccccc2)C1 1301557091 MKKDLUKKSHTGPJ-UXHICEINSA-N 425.533 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)C1 1301568656 VZPBPJNMNSGYJX-VQTJNVASSA-N 425.533 2.270 30 10 IEEE Cc1cccc(-c2nnc(N(C)CC(F)(F)F)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1304454446 KKWKKRFGKKNKPZ-BMRADRMJSA-N 435.410 2.173 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1305238028 HXKPKKZTHVWTCK-WBVHZDCISA-N 447.586 2.105 30 10 IEEE CN(CCOCCN(C)C(=O)OC(C)(C)C)CCS(=O)(=O)c1cccc(C#N)c1 1307940717 LQYMTJYGUKLPEE-UHFFFAOYSA-N 425.551 2.147 30 10 IEEE CCOCCn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OCC)CCOC1 1314494044 YJQAPEBEEGDUTR-OFNKIYASSA-N 441.532 2.416 30 10 IEEE Cc1nn(-c2cccnc2)nc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1355746395 UMPJTJLYPGKFPR-BWAHOGKJSA-N 439.501 2.036 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncn(C)n1 1358888233 JAWSHLMXUAYNOX-OAHLLOKOSA-N 428.541 2.027 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1358925095 SOIJDMCLZKOELT-LJQANCHMSA-N 438.576 2.404 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1358936938 CGEWKWKOQMGVJX-QGZVFWFLSA-N 430.553 2.231 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(CC)CC)CC1 1359037637 QYPJNYFHCNRURT-UHFFFAOYSA-N 434.592 2.004 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359150976 JXPPIJCEQLHDGT-CVEARBPZSA-N 428.928 2.301 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1)C1CC1 1359247118 SUDWIEIBHYVQCL-HNNXBMFYSA-N 447.561 2.137 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359292331 NBRQCCQPHMAOSD-LSDHHAIUSA-N 446.939 2.041 30 10 IEEE C[C@H](Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C 1360587791 POXOTNQNVNLPKF-YUWJWYLASA-N 435.548 2.441 30 10 IEEE Cc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C#N)N2CCOCC2)o1 1361138734 CDGSOKOOWCUSAI-APWZRJJASA-N 438.536 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 1435828097 YLRGAFAAFCBLFH-QGZVFWFLSA-N 435.500 2.261 30 10 IEEE N#Cc1cc(NC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)ccc1N1CCC(O)CC1 1446025197 POZBUBCBBBREJF-IAGOWNOFSA-N 427.423 2.442 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CCCN3CCOCC3)CC2)c1 1446719923 ZJKMOUZISAKMFB-UHFFFAOYSA-N 437.537 2.088 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCNc2ncc(C)cc21 1454466002 HDQCUNUWYOCZIF-INIZCTEOSA-N 427.530 2.446 30 10 IEEE Cc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1-n1c(C)cc(C=O)c1C 1457196255 DJBMYLNJERXJHK-UHFFFAOYSA-N 431.452 2.046 30 10 IEEE O=C1C[C@@H](c2ccccc2)N(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)N1 1457456642 WDOYKTPJZIIELO-SFHVURJKSA-N 440.525 2.290 30 10 IEEE C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1460887496 WARRKHKBUBDZRA-GOSISDBHSA-N 437.562 2.085 30 10 IEEE CC(C)(C)n1cc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(O)nc1=O 1471311967 JFBYMPCDZMQPQH-UHFFFAOYSA-N 425.489 2.329 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1c(Br)cc(F)cc1Br)C(=O)OC 1475378389 NXGJVVRFAKFZIN-JTQLQIEISA-N 443.088 2.194 30 10 IEEE C#CCN(C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)[C@@H]1CCS(=O)(=O)C1 1477092535 OCRLQXZPYHZFTG-QGZVFWFLSA-N 427.482 2.232 30 10 IEEE Cc1cccc(-n2c(C)cc(CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2C)c1 1479100577 VRBYSYREIOAEQA-UHFFFAOYSA-N 432.484 2.303 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)C(C)C 1496933507 QRRSRMQAOMGNBC-QFIPXVFZSA-N 431.585 2.489 30 10 IEEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CCO1 1497614413 LHZYSTLWWIEZCL-OAQYLSRUSA-N 446.577 2.151 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1501092825 GHYXJSFIGIGKSC-NTKDMRAZSA-N 449.559 2.038 30 10 IEEE CCOc1ccc(-c2nnc(N(C)CCC(=O)NC)n2Cc2ccc(C#N)o2)cc1OC 1502792420 CROUKPXSSJOCFH-UHFFFAOYSA-N 438.488 2.438 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn2ccc(C)cc2n1 1503800734 GYGOMIJKPKKRLN-UHFFFAOYSA-N 428.500 2.394 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOC1=O 1504109338 IBCNCENZOUDMDP-OAHLLOKOSA-N 446.895 2.178 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2nsnc2c1 1504965966 QHXWUFKFSPHEOH-YJYMSZOUSA-N 431.497 2.497 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1507516091 ARMDSKLPAKBIKR-VGSWGCGISA-N 433.553 2.255 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1507632100 WTVFBJOOAMQCAI-GOSISDBHSA-N 431.562 2.092 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1507714739 UUKBZFNDCQRXGJ-IBGZPJMESA-N 425.533 2.166 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1507858594 GROVWTFATDOTQF-HNNXBMFYSA-N 437.953 2.064 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)[C@H](C)C1 1508081274 IRAOGSBKMBLOFW-MRXNPFEDSA-N 432.956 2.058 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1509950887 XPPPBHKORNMCBF-DFBDCSAJSA-N 448.568 2.327 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccsc1 1516978526 ARPJRFHOTJLEPB-MJGOQNOKSA-N 435.557 2.493 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1517910241 FNGQVLLXGGAZBN-UHFFFAOYSA-N 440.548 2.066 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2cc(=O)n(C)cc2Br)cc(OC)c1OC 1521186483 YYQXIBZSMBHBGD-CYBMUJFWSA-N 436.262 2.168 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)c1nccs1 1533903381 ASKKMVOAMGLDAL-UHFFFAOYSA-N 448.526 2.427 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)cc1 1538972009 JBFUVSJVOVRXAH-DLBZAZTESA-N 432.594 2.241 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccco2)c1 1539043080 NCIUSZNVZUFDKF-HOYKHHGWSA-N 449.511 2.339 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(OC)cc1 1539290301 DPCSROJAIHJIKX-UHFFFAOYSA-N 444.495 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCc2nc(C)no2)CC1 1539474520 SABJOQJHYKPXOT-UHFFFAOYSA-N 433.516 2.235 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1539940610 SZTWQGRXLUYISS-NHCUHLMSSA-N 438.576 2.358 30 10 IEEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1540020362 IVOJKIPHMUZTFM-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE C=CCNc1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)s1 1540674146 FTYVWPMRWABDBX-UHFFFAOYSA-N 435.575 2.320 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1(=O)=O 1541106895 CGZDMYXGVBSTOC-PBHICJAKSA-N 432.506 2.416 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1542468719 HNORCAUYNCROOZ-SFHVURJKSA-N 440.401 2.286 30 10 IEEE CCc1nnc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)s1 1546403403 BUTIYMGQFZDQOR-CYBMUJFWSA-N 429.481 2.187 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1547259105 AYXDSIZDYMINQF-MRXNPFEDSA-N 426.521 2.259 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)C(C)C 1554666684 FJPGBABPZMBELW-HXUWFJFHSA-N 440.548 2.492 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H]3CSC[C@H]3O)C[C@@H]1C)C2=O 1565538621 FPYUQGZUQAFNTJ-NRNKJORWSA-N 439.917 2.230 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1566308228 OAVHWBOFLHNKET-RTBURBONSA-N 425.570 2.186 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1587758934 KFXBHIJXRSXXBP-GOSISDBHSA-N 425.537 2.448 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1587793929 XTAJKHUDYFBUKL-XUZZJYLKSA-N 445.608 2.423 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1587860805 BLHPUIVQVDQXDQ-QGZVFWFLSA-N 449.602 2.039 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1=CCCOC1 1588171036 RTVAWJAUQWIKRN-KDURUIRLSA-N 425.533 2.468 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1)c1ccccc1 1593789075 GYIOTFYMOOFJDN-KRWDZBQOSA-N 437.504 2.151 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1594783879 KXZDPHHTHLDKME-QGZVFWFLSA-N 439.568 2.457 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)CC=C)C1 1595699632 GDGYHUATNVDNJI-KRWDZBQOSA-N 446.529 2.056 30 10 IEEE C=CCN(C(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1597171034 SNZWVBWVOSQALL-HUUCEWRRSA-N 438.550 2.058 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C1 1607572704 GVIMMCUHSAEYIX-FQEVSTJZSA-N 443.596 2.001 30 10 IEEE Cc1cccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1612250066 DRHWYJVTIVGCLI-LAUBAEHRSA-N 446.577 2.406 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)CC1 1615885562 GORBWVGTKWSDSD-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1615918854 RBKIVHZDWVDVCR-PNLZDCPESA-N 432.569 2.294 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1617370153 FJOZGTHAGBXLBE-NRFANRHFSA-N 446.577 2.413 30 10 IEEE COc1cc(C)cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1619066741 MVNAIEHTGLFLDC-OFNKIYASSA-N 441.532 2.413 30 10 IEEE COc1ccc(COCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1619296270 YFMAVICHNCYOLR-OAQYLSRUSA-N 434.500 2.218 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1620054210 FYLBADIMXAFLGO-ZWKOTPCHSA-N 433.459 2.483 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCOc1ncccc1F 1620094790 GARGWAXABFYLPE-WMZOPIPTSA-N 430.484 2.355 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCSC2)CCO1 1620354281 BAOLSOIHBDVKFX-HNAYVOBHSA-N 437.472 2.143 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 1625988819 DEQQMPCIMSLGEU-ZDUSSCGKSA-N 436.459 2.330 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1627109455 YVKFUKULKGQSQJ-HRDYMLBCSA-N 444.344 2.040 30 10 IEEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(=O)n(-c2ccccc2)n1C 1628444885 WHDAAWDQCXDQAH-UHFFFAOYSA-N 428.445 2.173 30 10 IEEE CN1CCC(N2CC[C@H](N(C)C(=O)COc3cccc(Br)c3C#N)C2)CC1 1628813680 GKCUPEABUWWFIN-INIZCTEOSA-N 435.366 2.326 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)sc2ccc(C#N)cc12 1636695936 DYABVFZGLDLXTP-LQZXRHCMSA-N 431.539 2.023 30 10 IEEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1637525065 JCJZJOOFGLFMGB-GJZGRUSLSA-N 438.550 2.035 30 10 IEEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2)c1 1637748576 GZSJOXRFHQZBMC-FGZHOGPDSA-N 435.528 2.325 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1638841678 QOPWXTGCXGNCMP-CBZIJGRNSA-N 441.536 2.109 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1n[nH]cc1I 1640976024 FWAAQWZKCARGOZ-UHFFFAOYSA-N 435.229 2.117 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)s1 1642169005 UMUILDPLTQCYAD-UHFFFAOYSA-N 444.582 2.412 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)c1 1643383916 KLHQRKJNOCKGSK-JOCHJYFZSA-N 435.542 2.304 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NCCN=[S@@](=O)(c2ccccc2)C(F)(F)F)cc1 1643428928 RPFSOMJGBOFMCD-SSEXGKCCSA-N 438.431 2.451 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1scc(Br)c1Br)C(=O)OC 1664368351 UFYKPYFCALVTER-SSDOTTSWSA-N 431.127 2.116 30 10 IEEE N#Cc1csc(CNC(=O)N2CCC(O)(c3scnc3Br)CC2)n1 1676393171 PRZCKRHRQRMAQX-UHFFFAOYSA-N 428.337 2.427 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(N)=O)cc1 1689860557 CLASBMCGIWDBBZ-CQSZACIVSA-N 437.529 2.266 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccs1 1689930567 VCBKFQXQOGHUME-DLBZAZTESA-N 449.602 2.427 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 1690075613 PJGZOUPVKWEDON-QFIPXVFZSA-N 433.553 2.004 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OCC(F)(F)F)c1 1690100061 WCYGYLNIBIUDOE-UHFFFAOYSA-N 449.437 2.149 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)OC)CC1 1690148565 LCEZQFQBBDXQRZ-OAHLLOKOSA-N 431.487 2.148 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1690177241 OPNRNIJKQPHMAA-SFHVURJKSA-N 446.573 2.001 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690180534 HHCMLYGVNHDTPC-SFHVURJKSA-N 430.622 2.078 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1690592554 BCCZARZJJKQCPS-PMERELPUSA-N 426.546 2.139 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCOC2)C1 1690712064 MVCZZOKBJMHQAK-WMZHIEFXSA-N 428.533 2.407 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccccc3F)nnc2N(CCC#N)CC2CC2)CC1 1690867655 BYDJLAHQNSFUNA-UHFFFAOYSA-N 439.539 2.378 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1691008055 DOEONYYGNWHLHF-HNNXBMFYSA-N 431.504 2.099 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCC2)C1 1692844994 AZOFXKWPZQTHKE-FQEVSTJZSA-N 428.562 2.361 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1695407829 BVVONYCUNVHOPB-LJQANCHMSA-N 437.548 2.084 30 10 IEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCCC1 1696606638 FAXUELZEIIRIKV-UHFFFAOYSA-N 442.589 2.172 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1698024693 RROLXHAOIMNSJO-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705566146 ZANOBEDCWTVRBA-QGZVFWFLSA-N 429.571 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H]1COCCO1 1705622340 FVTPBKPXNCZFKP-LJQANCHMSA-N 436.516 2.227 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1705778335 SFGFIEBJPDFFDW-UHFFFAOYSA-N 446.573 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C 1705938170 PFNPHDNOJIMREQ-HNNXBMFYSA-N 440.953 2.336 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCOC(F)F)CC2)c1 1712881701 FMNLLHSFMXCTBE-INIZCTEOSA-N 433.463 2.005 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1722296569 RTLQNZJRBHLITL-MAUKXSAKSA-N 443.552 2.135 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722372078 OSUBMCLXUCFWDG-MOPGFXCFSA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCCCC2)nc1 1722373541 JKQMVLJBUQVCKA-RUZDIDTESA-N 448.571 2.437 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2(F)CCC2)CC1 1722441164 MNQCFSHYNYQFFH-UHFFFAOYSA-N 446.571 2.445 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OCC=C)CC1 1722446899 BATGYGOAIJWAHD-OAQYLSRUSA-N 449.555 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)nc2)CC1 1722449845 QYGMTOHHLLMEQG-UHFFFAOYSA-N 436.560 2.429 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722457550 GEGMSZXRLGDHJR-CQSZACIVSA-N 427.500 2.118 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722472739 RZRHQGJHNNZHCU-SQJMNOBHSA-N 449.603 2.199 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722547376 MZAPSBRSCBKJBE-ZDUSSCGKSA-N 431.349 2.264 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722592248 WPBOOMSGLBNEIB-KGLIPLIRSA-N 442.486 2.336 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1722627956 UVRGLUPFWLDDGS-UHFFFAOYSA-N 438.532 2.380 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1722664533 BWQVOMHEHAKNCZ-AZUAARDMSA-N 440.596 2.044 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCSC2(CCOCC2)C1 1722726604 AHQHDQZNMQEKIT-UHFFFAOYSA-N 428.624 2.180 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1728802196 HABPJIWZXHRIFV-ATZDWAIDSA-N 425.480 2.484 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740579329 MWELXSOBPZTZCT-UHFFFAOYSA-N 430.553 2.232 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740583139 VSBFRSPWUGXAFL-WMZOPIPTSA-N 432.546 2.002 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740592572 ZPCYAGJRJVGVCB-RDGPPVDQSA-N 435.594 2.039 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1740651381 BXYQMNMODSJQHT-KRWDZBQOSA-N 425.537 2.397 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(OCCOC)CCOCC1 1740666386 NWUYNYXEWLMZCT-UHFFFAOYSA-N 442.516 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCn2cnc3ccccc32)CC1 1740706103 RFMQKKJDUJYDOE-UHFFFAOYSA-N 433.560 2.492 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1740738242 FEDOPXGANHKOKV-YHQUGGNUSA-N 430.372 2.032 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1740861995 HFSNMXLESHDQDL-QHCPKHFHSA-N 435.532 2.250 30 10 IEEE CC1(C)C[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1741990251 GMRYPWGCHJFKBS-KRWDZBQOSA-N 428.562 2.381 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1748641411 GQQBIIUOSQCKJW-GJZGRUSLSA-N 425.468 2.168 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809876 PZSPNBCLVNPXLP-PZJWPPBQSA-N 441.601 2.220 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc(F)c(F)c2)CC1 1748978428 OKKMXIPAWPMLCB-KRWDZBQOSA-N 433.503 2.278 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC(C)CC2)CC1 1748990850 MQWAPGWBKRPBPV-QFIPXVFZSA-N 428.625 2.439 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCNC(C)=O)CC1 1749010559 NDBXHFNSGVUPLX-UHFFFAOYSA-N 442.951 2.091 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(CC)c2)CC1 1749020425 SJAUGGSQKYCVQX-UHFFFAOYSA-N 429.594 2.383 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749356021 VYPASLYGNUVJHZ-KRWDZBQOSA-N 428.493 2.407 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1749532845 YUWVPWSSRFUTAW-AVRDEDQJSA-N 438.557 2.161 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1749666034 DUKHFYNMUMYIRM-SFHVURJKSA-N 439.564 2.083 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1749819139 IVUTXAQXWFJNAG-SFHVURJKSA-N 429.546 2.114 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N(CCC#N)CC2CC2)CC1 1749888345 HTBZVTHQMUIGPM-UHFFFAOYSA-N 441.605 2.225 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1760185722 BXYHDEJKPZYBJY-GOSISDBHSA-N 432.594 2.158 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCn1cc([C@H]2CCOC2)cn1 1760204340 MLRBZEVINYFEQD-FQEVSTJZSA-N 432.503 2.481 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cccn2)cc1 1760208523 VAZOZFXUUWJQNK-UHFFFAOYSA-N 427.512 2.211 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCO1 1760243126 VNLSLUQMZBOECY-GOSISDBHSA-N 431.924 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1760247581 HEXLQNHIMQSNEQ-SFHVURJKSA-N 443.552 2.164 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760519993 XADKSOCPHFXPGO-RTBURBONSA-N 441.532 2.412 30 10 IEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1760562958 AZPHNMDUZLENIB-UHFFFAOYSA-N 432.569 2.214 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1760685279 QUKKRUSWTQYXRY-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NC 1762094528 LMBJCXWPVZEWST-IBGZPJMESA-N 445.527 2.491 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)C1 1763108548 ZEUHTGBJBSJHHO-ZJYNUGOYSA-N 438.536 2.077 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCS1 1765249557 TXEWVAMVFHBLJG-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CC#N 1768265333 NKJSRUJTSXPAQG-CQSZACIVSA-N 439.973 2.403 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1769964278 ZUKSWHOEYQYXHP-HRAATJIYSA-N 431.562 2.378 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CC1 1771111945 BESQYXZWWYIPIZ-DRKIFQHWSA-N 445.545 2.068 30 10 IEEE N#Cc1ncccc1OC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 1848823899 HVGFVSKMQMDDKU-UHFFFAOYSA-N 440.525 2.421 30 10 IEEE Cc1nn(-c2ccccc2)c(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)c1C#N 1852569621 MKOOFEJPLCSDBN-UHFFFAOYSA-N 429.436 2.492 30 10 IEEE N#CCCN1CC[C@H](N2CCN(C(=O)COc3ccc(Cl)cc3Cl)C(=O)C2)C1 1855099031 XOUINYLIFGMRIZ-HNNXBMFYSA-N 425.316 2.031 30 10 IEEE CN1CCC(N(C)C(=O)C(C)(C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868774873 TVELRFBKUBUFMF-LJQANCHMSA-N 445.633 2.472 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1Cl 1870144213 SJHHSRBFQHWRIO-UHFFFAOYSA-N 436.815 2.036 30 10 IEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(C)CC2)cc1=O 1870385376 UPWMWCRFBXIMAM-UHFFFAOYSA-N 431.558 2.341 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCc1cnc[nH]1 1870528490 OGCOUORBWXVVBX-SFHVURJKSA-N 427.549 2.282 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579911 FKWXDRKWHONZKR-UHFFFAOYSA-N 441.555 2.219 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(NCCN3CCOCC3)ncnc21 1873616046 AHUUAHPXYXDUFA-UHFFFAOYSA-N 446.515 2.490 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc[nH]1 1874431018 BJDWBAWCMYBUES-AUEPDCJTSA-N 425.518 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Nc2ncc(Br)cc2C#N)[C@@H](S(C)(=O)=O)C1 1877657525 CKPHYPPHIDFPOE-STQMWFEESA-N 445.339 2.160 30 10 IEEE Cc1ccccc1OCC(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890175709 UONYKOWQNCRPEV-UHFFFAOYSA-N 427.589 2.411 30 10 IEEE CC(C)C[C@@](N)(C#N)Cn1cnc(I)c1I 1995365920 OGMDQTLNRIJTFN-SNVBAGLBSA-N 444.058 2.359 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)ccc1F 2174785733 BYEJAHKDPSMUCB-RBUKOAKNSA-N 433.461 2.060 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(C#N)cc2Cl)s[nH]1 2187515884 QEITZLHRMRZXFQ-UHFFFAOYSA-N 429.911 2.311 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCC#CC(=O)O 2229101395 OPQZCEPSMOESJQ-CQSZACIVSA-N 425.279 2.089 30 10 IEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247881538 ZWOQSBQTSFNITF-UHFFFAOYSA-N 440.371 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248405927 UVCRHKBJMLIRNG-UHFFFAOYSA-N 437.371 2.316 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254790436 KFLAXEHVLVEQDX-AWEZNQCLSA-N 437.321 2.250 30 10 IEEE CO[C@@](C)(CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2255631699 CRTRTVXLRZAYQG-QFIPXVFZSA-N 429.326 2.061 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255645050 FBBPNKWCIVAVKH-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256621264 RYYSENPBYJBVSU-OPAMFIHVSA-N 434.342 2.011 30 10 IEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)F)ncc1B1OC(C)(C)C(C)(C)O1 2256679641 MFUICLASZGLPRC-SMDDNHRTSA-N 438.309 2.274 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)n1 2267172054 SAKNMUWKZDLPIB-HUUCEWRRSA-N 443.353 2.284 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)nc2)OC1(C)C 2267173147 HOEJTHYUECUTQZ-QUCCMNQESA-N 434.349 2.122 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267178791 HFTHONNFDVWQAB-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2267187162 UDTVSFQMRBLCPY-HOTGVXAUSA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)CC1 2267560247 AHURBDQGIRPQHE-UHFFFAOYSA-N 447.385 2.165 30 10 IEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267595563 WTFJRPQVPPTRKW-INIZCTEOSA-N 446.357 2.151 30 10 IEEE CCc1nn(C)c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268371064 ICNOIPAEVZFTMZ-QXMHVHEDSA-N 448.373 2.092 30 10 IEEE C[C@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268637585 DMKITVUPWCRWDY-INIZCTEOSA-N 448.369 2.392 30 10 IEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)cc1 2296612020 ZULSJJIJRIHOCA-LJQANCHMSA-N 440.500 2.187 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2302952407 SELGVONIMBTQRK-WOJBJXKFSA-N 449.617 2.310 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315610179 XWJLFBUZLLZXCK-CQSZACIVSA-N 436.362 2.095 30 10 IEEE COc1ccc(CN2CCN(C(=O)COc3ccc(C#N)cc3)CC2)c(OC)c1OC 24133768 VCGJODVIFBOZJI-UHFFFAOYSA-N 425.485 2.307 30 10 IEEE N#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(F)cc1F 111029525 IVDGLBNNFDXWEP-AWEZNQCLSA-N 430.230 2.369 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)n(C2CCCCC2)c1C 434794203 DDQPXPGPMPHNBI-JOCHJYFZSA-N 426.521 2.094 30 10 IEEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1C#N 438234427 AWPQJZPGVCIAQN-UHFFFAOYSA-N 427.889 2.262 30 10 IEEE COC(=O)[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC)cc1OC 472616484 MHOFDVVEQKSIJV-INIZCTEOSA-N 426.397 2.046 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN(c3ccc(F)cn3)CC2)c(C#N)cn1CCOC 481454744 TVWMTBUYBAXAEN-UHFFFAOYSA-N 444.467 2.071 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481493992 QAZGEZDACKFQKG-OAHLLOKOSA-N 428.470 2.348 30 10 IEEE CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 502470350 WJZQVXMSMKEJDK-GOSISDBHSA-N 444.538 2.010 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 506182917 NKEJOBHXHRZGNQ-QFIPXVFZSA-N 448.951 2.366 30 10 IEEE CCOc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 506286306 RSYGYLNNZPAMQR-UHFFFAOYSA-N 436.534 2.264 30 10 IEEE CCCN(C(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 507818504 MEGOTJSWNMFGEU-MJGOQNOKSA-N 433.574 2.216 30 10 IEEE C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1C(F)(F)Oc1ccccc1 508816112 GEYOTNSDVJCLAF-INIZCTEOSA-N 446.502 2.382 30 10 IEEE CCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 523178938 QZVNYUDEABGQIM-UHFFFAOYSA-N 442.537 2.218 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537247468 FJNAVTPSCAVQEO-AZUAARDMSA-N 445.633 2.330 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2)n1 546219376 CJBPOEYEKYSSPC-IBGZPJMESA-N 446.490 2.197 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1OC 734452647 JROUFXCALZIXSR-NRFANRHFSA-N 446.592 2.463 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 755693529 ZUBAPBFAIXLOSN-KHUIZHDGSA-N 446.507 2.477 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C1=O 764520048 CCLNGXBDDFMKIK-DOTOQJQBSA-N 425.466 2.279 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1Br 767951931 DPRHKOCRGZAGKG-OAHLLOKOSA-N 430.327 2.186 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)ccc1F 771299818 QDUGUOVMWIJEFX-HNNXBMFYSA-N 428.551 2.465 30 10 IEEE Cc1cccn2c(=O)c(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)cnc12 773257640 ZTYJABSKVCDVFW-HKOYGPOVSA-N 439.497 2.068 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCN1C1CC1 777945700 PTUPAWGVQQTNQJ-PBHICJAKSA-N 425.938 2.116 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)c1 782665590 XELUWPLLAWCFEO-UHFFFAOYSA-N 437.500 2.395 30 10 IEEE CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1ccc(S(N)(=O)=O)cc1C#N 785760133 BHROQYLVTLIDRO-ZDUSSCGKSA-N 429.420 2.101 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCO2)cc1OC 802689286 MUVZYIGBQUZIFU-RTBURBONSA-N 438.532 2.318 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 805783018 SEWWVVGMBWCXFR-HXUWFJFHSA-N 440.569 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CC(C)C 812216719 DHEAYYANGHGZCJ-UHFFFAOYSA-N 425.558 2.458 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)CC2)c(F)c1 856613654 HRDQTLVTSSQRLS-VQTJNVASSA-N 435.503 2.291 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1125858309 YEUZUQAZDXDVHB-OAHLLOKOSA-N 440.388 2.340 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)cc1 1136331855 OCEMMNWEYGTIOR-FLVDCRJSSA-N 437.566 2.301 30 10 IEEE C=CCC[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OCC 1158288450 MRNNATILPWZONN-QUSNUVHPSA-N 438.521 2.188 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Nc1cc(C(=O)OCC)ccc1I 1208377607 CJCJQOFPMVZTDV-LBPRGKRZSA-N 430.242 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1286297150 AOZQZFFCPZHYAJ-HKUYNNGSSA-N 438.557 2.067 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286373531 OXETUTNQQAXTRP-QGZVFWFLSA-N 443.420 2.480 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cnc2c(Cl)cnn2c1 1286381064 LDSXQOKMGXFWAJ-RDJZCZTQSA-N 429.912 2.010 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286385553 OAABHAABLLFAJN-HXUWFJFHSA-N 443.617 2.312 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1286387009 MDTUHVUCMJRHCS-SJORKVTESA-N 431.587 2.253 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1286400390 FDUPALIONGKOST-DEOSSOPVSA-N 445.527 2.021 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)s2)CC1 1286473411 SBQBJABXQVNXKZ-JOCHJYFZSA-N 429.590 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)s2)CC1 1286490219 NZIFJXCSEGHLSD-UHFFFAOYSA-N 441.948 2.464 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286499342 LGWNZNDPAPEKNT-NRFANRHFSA-N 436.585 2.484 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286538157 MLFXIHYIFWAQHU-HNNXBMFYSA-N 447.399 2.484 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1286749138 LGXDIBNTOAHMIR-INIZCTEOSA-N 430.534 2.326 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1286825892 ZDKWPOHECCJMQW-OAHLLOKOSA-N 441.598 2.280 30 10 IEEE CN(C)CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1298084402 GNFCFMCJQDGKKL-JOCHJYFZSA-N 438.511 2.109 30 10 IEEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@](C)(C#N)C2)n1 1298905944 ISBXBFSWSQVXOG-GOSISDBHSA-N 442.325 2.409 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(C)cn1 1300317732 UGDQBHKDZZMIOY-JOCHJYFZSA-N 446.603 2.306 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1300457389 CPYPYEYZYYOOLT-HZPDHXFCSA-N 428.537 2.088 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn(-c2ccccc2)c1 1300553285 BQZJPYFNZFYUEY-UNMCSNQZSA-N 430.512 2.309 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300649840 PKFIQTQOLSTVMN-HXUWFJFHSA-N 445.564 2.434 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(C)(C)O)CC1 1300719378 YONHEOHKEDPKRK-UHFFFAOYSA-N 425.533 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCSC(C)C)CC1 1300726006 HGGXUORSLLOMFD-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1300762143 OJUCZXQZCYXXEQ-INIZCTEOSA-N 445.549 2.485 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C 1300896065 XRIBVFZOMRGGJR-GVDBMIGSSA-N 425.599 2.027 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300956943 LDPATQSPPZHMRN-UHFFFAOYSA-N 426.550 2.335 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300997471 VZFAIXPEOHHBMS-FQEVSTJZSA-N 431.581 2.431 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301033319 CNGFWTSQPQPAQE-FQEVSTJZSA-N 445.999 2.324 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1301341144 IXYASGNDKBDDNS-RBUKOAKNSA-N 449.515 2.182 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC=C(COC)CC1 1301577698 SMZAXCFOIVYSCJ-UHFFFAOYSA-N 432.546 2.337 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301959779 RVRLZXWELWVVKS-ZHALLVOQSA-N 443.577 2.140 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)N1CCCCCC1 1302243632 QMHPQVXSDKHQTO-HBFSDRIKSA-N 432.569 2.391 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1302746759 VTAXANSLNMXPDI-VEGAHXMMSA-N 435.532 2.415 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(F)c2)CCOC1 1303505049 JGAOQCKIDQQRCO-UGKGYDQZSA-N 429.496 2.429 30 10 IEEE Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C 1304233649 XHELBRAMGKWNIR-KRWDZBQOSA-N 446.939 2.069 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2c3cc(F)ccc3OC[C@@H]2CCO)CC1 1307892326 HVXVPLYTZXUFRS-PKOBYXMFSA-N 444.532 2.246 30 10 IEEE CCn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312468124 DXAVCEZADBMPAL-ILXRZTDVSA-N 449.581 2.235 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1313254899 DSIJHXSSEOFZFQ-FQEVSTJZSA-N 435.613 2.106 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)C(C)C 1315229758 VVTPVGXAFIOALN-YZGWKJHDSA-N 438.532 2.115 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@](C)(O)C1CC1 1316089220 BNYLRUPFQXINQB-WMZHIEFXSA-N 425.533 2.468 30 10 IEEE COCCN(CCC#N)c1nnc([C@H](C)NS(C)(=O)=O)n1C1CC(C(C)(C)C)C1 1316099830 MKRMWGNRNXFARK-FHERZECASA-N 426.587 2.252 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(O)CC2)C1 1316527724 OYDYTQZCMNGLRK-NRFANRHFSA-N 443.483 2.142 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1coc(C#N)c1 1349704223 NSYPGKHGEYCLEB-UHFFFAOYSA-N 432.502 2.271 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1\N=CC=CC1=O 1358881579 IZLZSPGDTRNDPV-YFUCQSNDSA-N 441.495 2.478 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358950813 ZGNNKADYWYRYDD-QUCCMNQESA-N 445.564 2.282 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358966203 JTXIILCJZUQHBS-ZWCUEREDSA-N 434.606 2.189 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1358979688 UQTCLKLOBPXBPG-IBGZPJMESA-N 441.532 2.006 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@@H]2C)n1 1359028001 CVNIAMHDTHYDGM-NSHGMRRFSA-N 439.564 2.148 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)N[C@@H](C)CC)CC1 1359034623 XYUHLATVFGENCD-IBGZPJMESA-N 447.587 2.497 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359083224 FBNBZKHMXRCOFQ-GJZGRUSLSA-N 439.358 2.469 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 1359230495 VRHZLIUKUAOJQT-UHFFFAOYSA-N 427.553 2.437 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1OC)C1CC1 1359252924 LRUSPDGRYQQOJZ-DOTOQJQBSA-N 431.562 2.476 30 10 IEEE C[C@]1(N2CCOCC2)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1360847808 ZNGHRCJCELKXGZ-QFIPXVFZSA-N 446.502 2.399 30 10 IEEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccnc1 1436787415 BIGLNZMVOIHWHI-UHFFFAOYSA-N 426.542 2.448 30 10 IEEE C=C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 1440639752 LBNAVXOQQDBZNF-HXUWFJFHSA-N 427.526 2.481 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 1443840390 RGGWMTOPASNDIV-KRWDZBQOSA-N 435.546 2.133 30 10 IEEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](C)CS(C)(=O)=O 1444057677 FDOYWFWSTCLVOX-OXJONJSCSA-N 427.567 2.055 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cc4c(nc3O)CCOC4)c(C#N)c2N)cc1 1445158855 PWNWNMUNBFUIPA-UHFFFAOYSA-N 432.484 2.171 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@]1(O)CCc2ccccc21 1460281469 FUCPDZWNUOPCEA-UKILVPOCSA-N 436.531 2.300 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1468197052 XGZVAIXVONRBNA-IBGZPJMESA-N 440.523 2.170 30 10 IEEE Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1469485562 JWUSYNUYQROTAZ-FQEVSTJZSA-N 427.526 2.431 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)C1CCOCC1 1475853506 UKGKUGQSHMQXMX-SFHVURJKSA-N 435.546 2.420 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1479061644 VKCVKIQIVIQTBL-ROUUACIJSA-N 438.569 2.010 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1ccn(C)n1 1504884998 HNRFMWCBEIPUHF-UHFFFAOYSA-N 437.504 2.059 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCSCCCO)cc1 1505316387 IEBRMKPVCFRZTP-UXHICEINSA-N 443.573 2.317 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1507511458 AQWYSHISUGERIF-MRXNPFEDSA-N 445.951 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1507516558 LHNHVSQONPPQRQ-IAGOWNOFSA-N 445.589 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1507538483 MQQABJMSLLMTBH-WDSOQIARSA-N 446.596 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC[C@@H](C(F)F)N1CCOCC1 1507672317 ZXOHBODERYTRNA-FQEVSTJZSA-N 442.514 2.083 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1507733463 ZMMFEWASVOSRMM-OALUTQOASA-N 446.596 2.215 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507749071 VSSHIFKGFZFMGO-UHFFFAOYSA-N 447.568 2.132 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1)C1CC1 1507992532 FKYWZPRRHLOVAK-INIZCTEOSA-N 432.546 2.401 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1508011555 HIGBRUGOPFESFK-UHFFFAOYSA-N 429.956 2.336 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)OC)C1 1508077723 ZVZSUOSLILUPQD-CABCVRRESA-N 447.923 2.373 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCCCCC2)C1 1508141471 VROMOCACZRXVQA-UHFFFAOYSA-N 448.593 2.209 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 1512417823 AUGSBDHRMDILHN-KDURUIRLSA-N 437.592 2.456 30 10 IEEE CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1515323308 CYCJNMOPEJKFKJ-CZIZESTLSA-N 437.504 2.130 30 10 IEEE COc1ccc(-c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)c(OC)c1 1518175520 ZFBBDGSVSQUGLB-UHFFFAOYSA-N 427.486 2.044 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCOCC3)c1)C2 1530025057 RHNAHNVJDHUPQU-UHFFFAOYSA-N 431.901 2.389 30 10 IEEE C=CCCC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1531441989 UMQNQEAOCOFJMZ-UHFFFAOYSA-N 439.553 2.401 30 10 IEEE COC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 1531656262 TWEOAPDFPMJUMB-UXHICEINSA-N 436.468 2.276 30 10 IEEE COc1cc2ncn(CCCC(=O)N(C)[C@H](C#N)C3(SC)CC3)c(=O)c2cc1OC 1535948112 VOBHODDTCBWQLZ-GOSISDBHSA-N 430.530 2.440 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCCCC1 1539167801 MQDQHJDDIFQQRT-SFHVURJKSA-N 443.621 2.430 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539318278 OWXJXZOLVSGKTB-WOJBJXKFSA-N 429.590 2.213 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1539368711 BEMZORQBEFYXJS-NHCUHLMSSA-N 441.601 2.304 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1539446532 FJQMZPHJSCIPOD-UHFFFAOYSA-N 441.601 2.306 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1539518447 ZTBGBMOTKSHNLL-GOSISDBHSA-N 429.571 2.055 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539520997 ZSZQHXDIPOSXHH-IBGZPJMESA-N 446.573 2.001 30 10 IEEE C=CCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540021909 WHJTYWLLDWKNHT-UGKGYDQZSA-N 430.553 2.387 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1540127386 RKSPHUSDVWOSEE-ZEQRLZLVSA-N 441.576 2.189 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1540136950 NUIWWNHVRPKHFX-KRWDZBQOSA-N 439.495 2.267 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCOCC1 1540197978 AVIWBBDZUMZITH-UHFFFAOYSA-N 438.532 2.257 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1540864995 REJWRRRCZRZBHA-GOEBONIOSA-N 426.546 2.162 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@](C)(OC)C1 1540875486 NNKDEZAPCSKJAQ-JOCHJYFZSA-N 429.521 2.173 30 10 IEEE CC(C)N(Cc1ccco1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541612315 FIHZKAXIMSZSGO-XOMICKMZSA-N 440.504 2.316 30 10 IEEE CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1542045457 OBAADGSJPNSNKV-UHFFFAOYSA-N 444.561 2.167 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)c1 1542277377 CLZPGPZPDHTEJA-HXUWFJFHSA-N 447.536 2.493 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1542578858 XNWAOEYBIGLPCP-SJORKVTESA-N 448.463 2.446 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CCC(N3CCOCC3)CC2)c1 1543096846 OBQWDIZXQLPPGI-DARPEHSRSA-N 448.589 2.329 30 10 IEEE CCOCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(C#N)o1 1548191515 RKCRAKQUDSDKCU-QGZVFWFLSA-N 446.508 2.057 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)NC)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548396220 DGAUDBLRNZEWTD-DLBZAZTESA-N 437.466 2.427 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1555631335 DPSPBIFWBUHMEN-AOMKIAJQSA-N 430.553 2.143 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1557882081 NPEJCQZFTFBZPL-UHFFFAOYSA-N 427.423 2.081 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1588045281 ITNGVDYOQPHTDO-ROUUACIJSA-N 448.639 2.420 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588045573 MUGIWSDBQPMBMC-XMSQKQJNSA-N 447.605 2.098 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2ccc(C)cc2)CC1 1588923821 NAFMTXFNHVTCRO-GHTZIAJQSA-N 448.571 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1588923822 NAFMTXFNHVTCRO-NQIIRXRSSA-N 448.571 2.307 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 1593747034 QAPCYVDMYYLEFH-SFHVURJKSA-N 434.562 2.418 30 10 IEEE C=C(C)COCCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C 1593769105 LHHRQJHUVLARQL-UHFFFAOYSA-N 445.568 2.225 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1595561914 GZJXJOQXGHJQFY-GOSISDBHSA-N 440.577 2.282 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1613408376 FVBTUWHOTKBXPZ-SFHVURJKSA-N 446.563 2.059 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cc(C)nn1C 1616936673 GRJOVAGTCBUCKM-UHFFFAOYSA-N 434.548 2.099 30 10 IEEE CO[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1618966671 LTYKSCNKAHARGQ-BZUAXINKSA-N 428.459 2.274 30 10 IEEE COc1ccccc1CN(CCO)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1619433441 YOONKORLFKTDKH-UHFFFAOYSA-N 433.472 2.199 30 10 IEEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)CC1 1622130333 ABSRVIXBAIHWBN-UHFFFAOYSA-N 435.271 2.064 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC(O)C1 1623602368 LMHJEHYBYROBSP-UHFFFAOYSA-N 442.560 2.258 30 10 IEEE CN1CCC(N(C)CCN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1627131286 HNXQHCUPBIPVJZ-SZTYLXMGSA-N 447.624 2.258 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1cccc(OCC#N)c1)N2C(=O)OC(C)(C)C 1628997211 YLLFTENVMIINEP-CADBVGFASA-N 443.500 2.392 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)cc1 1636899405 SFGAANKGVSVZNN-UHFFFAOYSA-N 431.414 2.429 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1637389943 NXEGEBVUXROQJH-HXUWFJFHSA-N 429.542 2.284 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1638512557 GLVDKLPREKYPOA-MAUKXSAKSA-N 435.546 2.379 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1646431818 QOMKEAKQRHHBBA-UHFFFAOYSA-N 429.542 2.042 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)c1 1653351902 ZRCYVHJANCGIBI-UHFFFAOYSA-N 439.468 2.200 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1665497538 RDHNASYOENYDLV-MRXNPFEDSA-N 430.910 2.001 30 10 IEEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)Nc1ccc(Br)c(C#N)n1 1679661225 GXTNKLKPZWNPQO-CQSZACIVSA-N 444.337 2.443 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1682007884 BJEULQBZVXLZMI-SFHVURJKSA-N 434.468 2.492 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C2)nc1 1686257478 QUCVOOHMYIPSSD-UXHICEINSA-N 448.527 2.219 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689993469 FEFNLKPHFRRWRR-APWZRJJASA-N 446.548 2.464 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1689996068 DIJWLUBPGSHENZ-GOSISDBHSA-N 432.594 2.203 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1690003526 PUWRYCFOMKJXBW-XMMPIXPASA-N 445.527 2.021 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690169673 KHWCUEYKWOVRHE-OAHLLOKOSA-N 429.571 2.416 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690172299 BKSMLJDLAMVWHO-WOJBJXKFSA-N 433.622 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690188806 PRMXLUNOFAGOOT-IEGUWTFLSA-N 430.597 2.296 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H](C)N1CCN(CC)CC1 1690192689 CGZUANHQAJTQCM-ZRCGQRJVSA-N 432.613 2.020 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690349188 OVEAMAYXPLJGKD-MRXNPFEDSA-N 436.969 2.214 30 10 IEEE Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)cc1 1693133148 LQDQEWHHZZOCMA-UHFFFAOYSA-N 436.516 2.447 30 10 IEEE CC[C@@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1693923745 UXTYPCOAXLNIKV-PGRDOPGGSA-N 425.537 2.274 30 10 IEEE CC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1694022017 YOLDFXFIEYSQGK-KSFYIVLOSA-N 430.503 2.485 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nncn1C 1696848918 LHRUXSYAZWEKTD-GOSISDBHSA-N 444.341 2.353 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1Cc1ccncc1Cl 1698061100 PSHMLHYCUIZJNR-UHFFFAOYSA-N 443.895 2.469 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1705500284 KHXQJBRNQQXWAG-KYAFNBKBSA-N 432.528 2.438 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC#C)CC1 1705517147 PJUUWHJDNKPIGF-UHFFFAOYSA-N 432.576 2.011 30 10 IEEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705549131 IRMKKOZOTUDADN-GBESFXJTSA-N 438.532 2.434 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCOCCS(C)(=O)=O 1705608445 RNXUOAMQRTVRIY-UHFFFAOYSA-N 428.917 2.258 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(O)(CC)CC)CC1 1705636253 CUVUJGHXAKRKCC-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705738300 RYMBFMUIZYWPNE-UHFFFAOYSA-N 439.607 2.041 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1705761232 FHTPKNBWOVHHGM-QGZVFWFLSA-N 428.924 2.297 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705804310 WSGQYSXAWQJBHW-SFHVURJKSA-N 437.552 2.433 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCOCC1)C1CC1 1705854253 PSSXWYWKBRDSIM-UHFFFAOYSA-N 425.533 2.314 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1705947031 YEUWSVUHIKDPLT-IRXDYDNUSA-N 443.639 2.013 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1712405356 ZMKADWXECJZOGJ-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1722276268 HUUJBKDLDXBCCR-LSDHHAIUSA-N 425.468 2.168 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722297232 FMPFVWOZYNJDJV-KRWDZBQOSA-N 438.557 2.020 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1722323370 DLEDNAOJUURCQL-INIZCTEOSA-N 426.546 2.342 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1722362683 VUXCSZRXRHVVDB-KRWDZBQOSA-N 427.505 2.098 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722363126 QSZZZZJWUKDEQU-IRXDYDNUSA-N 430.505 2.404 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[S@@](=O)CC)CC1 1722442193 UQPOPLHGXKOYRM-PMERELPUSA-N 447.630 2.103 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1722446948 DUKROBFIALWCPI-NHCUHLMSSA-N 442.608 2.012 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1722450157 YVTUCNUWGBJNIW-URVUXULASA-N 437.544 2.483 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722460959 KNDKQFXTFJOJGO-UHFFFAOYSA-N 447.609 2.085 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722482609 BZXRLNIIOSIVHW-RHSMWYFYSA-N 433.354 2.406 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1722487341 OGFPYPNJVYVMGM-LLVKDONJSA-N 425.356 2.209 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722672488 RTDVCGXQFGRMNI-HZPDHXFCSA-N 447.527 2.243 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCc1ccccc1F 1722702726 QIZIVNZZLIHRBN-UHFFFAOYSA-N 425.512 2.260 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1722734414 YVPOFTBQXKWAAW-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1722739602 XBFKMECRQPVYOU-KRWDZBQOSA-N 438.575 2.191 30 10 IEEE COC1(C(F)(F)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1729907096 DXOJEPYQPOAWOD-HNNXBMFYSA-N 427.496 2.426 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OC(C)(C)O2 1730762322 DBEINECQLWJINI-INIZCTEOSA-N 440.504 2.151 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1740586552 FHGSOMAMWUGTLP-LJQANCHMSA-N 425.533 2.287 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOCC)CC1 1740586785 NENPRFZYWLEFHB-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 1740609298 IRUDWLUCMSXJIS-UHFFFAOYSA-N 440.552 2.048 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)OC(C)(C)C 1740613253 ZFAHBPJPSMSBCS-UHFFFAOYSA-N 432.550 2.254 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740714448 YUAFRANFJBFDGZ-JOCHJYFZSA-N 441.557 2.045 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1 1740765483 YKFUJQDUFZYFOR-FQEVSTJZSA-N 431.629 2.190 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1740798399 IETJXSNXRFHGSR-VQTJNVASSA-N 445.589 2.404 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740851323 SVCJFUJZLGIFMT-IAGOWNOFSA-N 437.610 2.278 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC 1740921323 QNIPYZRJSNDQRT-UHFFFAOYSA-N 440.479 2.474 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 1740965652 DPZPEGCARBCMJM-LJQANCHMSA-N 433.578 2.307 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1740980732 IZFSYYYZBNHROO-IEBWSBKVSA-N 446.573 2.094 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F 1748638176 KDOPFWGFDBCFDX-GFCCVEGCSA-N 428.390 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1N1CCOCC1 1748638411 OWBNQAGXIHRMIH-SFHVURJKSA-N 445.527 2.268 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1748707877 MRGCEHJINXFPGP-FQEVSTJZSA-N 435.576 2.277 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CN2CCOCC2)CCCCC1 1748802275 ATURJSASOJVXRU-SFTDATJTSA-N 445.608 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1749010947 SSVREFFSAATXLR-JOCHJYFZSA-N 445.571 2.123 30 10 IEEE C#CCSCCn1c(N2CCN(CC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749049690 OLSANUNKUZLKMU-JOCHJYFZSA-N 433.622 2.217 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749751579 ZQLYTFGZDNRQOS-UHFFFAOYSA-N 449.588 2.500 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1749953495 KWCUOHHHMSHIPC-AOMKIAJQSA-N 444.511 2.194 30 10 IEEE CC[C@H](C)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1752645552 XXGDMNWCROEXPK-NVHPEQRVSA-N 428.537 2.323 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H](C)N2CCOCC2)c1 1760127588 FEJLJBNQMIREAK-SFHVURJKSA-N 436.560 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1760215911 SGDYOLDHFIXHOF-GOSISDBHSA-N 426.542 2.241 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@@H](C)CC 1760231900 KUHLRPZQNIXQAC-INIZCTEOSA-N 445.593 2.003 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CSC)cc2)CC1 1760252349 PMIBVRBPJWVNPQ-UHFFFAOYSA-N 438.601 2.181 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCOC2CCCC2)CC1 1760257287 SUWQILSLUGUTHB-XMMPIXPASA-N 445.608 2.423 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)C 1760298383 FWCMNCKOICVCNO-OAQYLSRUSA-N 428.562 2.034 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCOC)CC1 1760314141 SZCIABNTXPAPQY-AZUAARDMSA-N 447.580 2.127 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNS(C)(=O)=O)CC1 1760399781 WLTPXAPHRWQZDW-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1760464314 FERWDZXQNCBLFM-GOSISDBHSA-N 430.578 2.236 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1760520303 JOZQBUPSBIYJQI-QGZVFWFLSA-N 434.500 2.309 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760566409 SRJFKONVQLZXBK-CRAIPNDOSA-N 429.546 2.377 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCNC(=O)C1CCC1 1764108549 LVAFOGSLIYGYLV-UHFFFAOYSA-N 429.569 2.243 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1770054685 ZZNDNGGFEKZLRV-LPHOPBHVSA-N 427.505 2.104 30 10 IEEE CS(=O)(=O)N1C[C@H](C(=O)N(CCC#N)Cc2cccnc2)Oc2ccc(Cl)cc21 1851557791 WMFOOLXMLRPZFK-GOSISDBHSA-N 434.905 2.204 30 10 IEEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@@H](C)NCCn3ccc4ccn(C)c4c3=O)C2)CC1 1853445508 WVFGHWKTECMOAE-IEBWSBKVSA-N 432.590 2.079 30 10 IEEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)CC3CCCC3)C3(CCCC3)C2=O)ccn1 1853928017 NGKLNJPAEJZPFC-UHFFFAOYSA-N 430.530 2.070 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@H](N3CC[C@@H](Oc4ccc(Cl)cn4)C3)C2=O)ccn1 1855102892 MMPXLURQZUCWER-MSOLQXFVSA-N 425.876 2.286 30 10 IEEE CN1CCCc2cc([C@H]3C(C(=O)c4cccc(O)c4)=C(O)C(=O)N3CCCNC=O)ccc21 1862600147 JXISUFMIKLELRV-QFIPXVFZSA-N 449.507 2.489 30 10 IEEE CSCC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1cccc(C#N)c1 1867236410 DQTHHQSCNLRSKH-GOSISDBHSA-N 446.554 2.004 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)/C=C/c1cc(OC)ccc1OC 1873710906 YVDGAVSKAKETIL-VMPITWQZSA-N 443.525 2.498 30 10 IEEE C#CC[C@@H]1COCCN1C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009819401 KRRTWWGABHVXLL-HYBUGGRVSA-N 427.545 2.407 30 10 IEEE COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 2042447131 UZQXPMJVDQXMCK-RHSMWYFYSA-N 427.482 2.398 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2054341227 LOTBGIWTQQECNB-INIZCTEOSA-N 439.372 2.327 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060790326 OIDLTGZQGGJFEH-CGXNFDGLSA-N 440.544 2.105 30 10 IEEE CC(C)(C)OC(=O)NCCCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243418842 MBXCEPKGSYMFQC-UHFFFAOYSA-N 425.360 2.477 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2243676031 DRNAEJDUTOHOBW-UHFFFAOYSA-N 427.694 2.429 30 10 IEEE CC[C@H](C#N)S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2244762666 NRHKIMLQHJASNZ-OAHLLOKOSA-N 446.570 2.064 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)(C1)C2 2247287026 QHVXGFKVRBNRDV-NWLLBJEDSA-N 426.517 2.049 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2247903232 ZTCOZPCDAIGIAJ-HOTGVXAUSA-N 442.387 2.445 30 10 IEEE CC1(C)OB(C#CCCNC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)OC1(C)C 2250002293 JIDAZIKZVGMLRT-CQSZACIVSA-N 430.154 2.127 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CO1 2255524671 TWSAQGKGRDZIKG-CQSZACIVSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620829 ZTMUMMJRFXFJPU-HUUCEWRRSA-N 434.346 2.275 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626990 MNDDQBHUBNCPBL-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255700222 ZRDHBQOVYPJRDV-KBMXLJTQSA-N 429.326 2.118 30 10 IEEE C[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2256063401 OSTVGRDACUCAEC-CQSZACIVSA-N 434.346 2.009 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2256882315 ISGUCBPTCSIZNH-KRWDZBQOSA-N 429.278 2.287 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938932 ZVJHUJXWWMLYOP-CJNGLKHVSA-N 446.334 2.231 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267013816 PKRKLWDPMLPPDY-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267138245 WGBMNWDGYGQSLW-HUUCEWRRSA-N 448.373 2.426 30 10 IEEE CC(C)[C@@H]1[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267526791 XUURSPIKUAQRPX-NVXWUHKLSA-N 448.373 2.473 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)C1 2278802908 YZCUDQAROYJBKA-YESZJQIVSA-N 425.323 2.125 30 10 IEEE C=CCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296542791 RNAKHKDGHLTHOA-UHFFFAOYSA-N 441.582 2.142 30 10 IEEE COc1cc(C=NN[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccc(C)cc1C 2320842367 DWQZZPNFJGAFBX-GOSISDBHSA-N 445.541 2.440 30 10 IEEE CCOc1cc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)ccc1OC 2325631610 JLUCIEFTBRQRKT-UHFFFAOYSA-N 446.481 2.140 30 10 IEEE Cc1nc(NC(=O)[C@@]23C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C3)ncc1B1OC(C)(C)C(C)(C)O1 2334387689 PDZROKBPCPKMFW-XUHFEKCNSA-N 444.341 2.326 30 10 IEEE COCC1(CN=c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)[nH]2)CN(C(=O)OC(C)(C)C)C1 2337019443 CGOKTOGLTHUNPQ-UHFFFAOYSA-N 447.385 2.407 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2337197011 RHELMHXMIOVFNI-CQSZACIVSA-N 448.373 2.237 30 10 IEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339445984 HMWAFSQLPHMQON-UHFFFAOYSA-N 443.353 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)[C@@H]2C1 2345713883 OXNWOEYOVJMENV-SJORKVTESA-N 449.332 2.344 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1(C)C 2352398010 MGISNERYQINHCQ-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE CC(C)c1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 12293575 QVXIAZIZKQUEDW-BUANBSPESA-N 442.537 2.355 30 10 IEEE Nn1c(N/N=C/c2c[nH]c3ccccc23)nnc1SCC(=O)NCc1ccc(F)cc1 20527858 JAMFUGWOARVMJW-OPEKNORGSA-N 438.492 2.467 30 10 IEEE CCOc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1 20914580 KADLDNAMWDNDJL-SRZZPIQSSA-N 427.490 2.273 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 103936550 XHUYYIWPYCWDNP-UZIIPTHMSA-N 432.502 2.439 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 110269158 SYQPAMRVLLZTSO-RXVVDRJESA-N 429.517 2.222 30 10 IEEE C#CCN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)[C@H]1CCS(=O)(=O)C1 250644638 JBTVVBHCPRMZOQ-RDJZCZTQSA-N 431.539 2.141 30 10 IEEE COC[C@@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@@H]2CC[C@H](O)[C@@]2(C)C[C@H]1OC(C)=O 256452970 XLJORQYAOTYVQS-RKJRADRSSA-N 430.453 2.328 30 10 IEEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(C)C 431216261 BNFSATPXHJECKG-UHFFFAOYSA-N 447.626 2.190 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 443547776 DGCRJPPICKWKRH-UHFFFAOYSA-N 448.523 2.325 30 10 IEEE COC(=O)c1nccc2c(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)cccc12 460757897 LCRKWRXJNGWCIG-UHFFFAOYSA-N 434.437 2.275 30 10 IEEE COC(=O)CN1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)CC1 484274674 ISMPDZZFCZIIRQ-UHFFFAOYSA-N 435.480 2.196 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 499042926 HPDZORZBXPULMY-IRFCIJBXSA-N 429.590 2.174 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 503427023 IWLINWLZHSZTHD-JOCHJYFZSA-N 431.489 2.124 30 10 IEEE C[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCN(C(=O)CC#N)CC4)nc(O)c23)C1 503608061 GFWCZEPFPSDZTI-CYBMUJFWSA-N 427.530 2.039 30 10 IEEE Cc1cc(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)nn1CCC#N 504085894 HTCOPSGLBGURTR-UHFFFAOYSA-N 430.262 2.493 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 505139540 ODPIYLLEUDXIKJ-SJLPKXTDSA-N 441.557 2.164 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC)CC1 509029515 FFYPKLUNMWPSRO-HXUWFJFHSA-N 436.000 2.352 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 511465856 YGKCSVWOMKUZJP-UHFFFAOYSA-N 440.884 2.007 30 10 IEEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513785486 NGDSRSPKJZRTSM-QGZVFWFLSA-N 444.532 2.116 30 10 IEEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)Cc2cccc(C#N)c2)CC1 530918871 POQXZPLNRWPAFK-UHFFFAOYSA-N 426.561 2.494 30 10 IEEE COc1ccc(NC(=O)CN(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCCCC1 532820639 VSWNERIRVDLRLQ-MRXNPFEDSA-N 434.562 2.432 30 10 IEEE CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccc(C#N)c(Cl)c1 553050012 VVUPGDMLHQXVAT-UHFFFAOYSA-N 428.861 2.290 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 555253909 VCJNCAFDQHQMMQ-LJQANCHMSA-N 445.951 2.487 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 565115129 UPZVGJICULPEDK-CQSZACIVSA-N 435.468 2.271 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C 576537939 XHNNPNPOXYKQMQ-XJKSGUPXSA-N 443.338 2.372 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1C[C@H]1CCCO1 603798012 HWRQXVUXNZLUSK-LJQANCHMSA-N 447.560 2.270 30 10 IEEE C[C@H](C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1)n1cccn1 609256692 CSSXYZVWFCYGFM-CQSZACIVSA-N 434.431 2.348 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCc1ccc(C#N)cc1F 610772176 RSOQRDBNFAQVRZ-UHFFFAOYSA-N 432.521 2.166 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669815569 FOWBYBIQCXIGIU-HNNXBMFYSA-N 430.896 2.266 30 10 IEEE Cc1csc([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 727949408 RHFCFARBDQOLFF-SXNXEAAASA-N 449.558 2.080 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H]3CCCC[C@H]3C)n(C3CC3)c2=O)cn1 735067957 BRCIFAHJBFFRFV-BEFAXECRSA-N 439.585 2.049 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSC 751824815 INJAQOYKCQLZHU-AWEZNQCLSA-N 426.567 2.039 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c(=O)[nH]c21 760399740 BWJFMNXUEHJWIO-VOTSOKGWSA-N 431.518 2.239 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761981086 FVJVZOUMUDGEQY-JHBCHSCWSA-N 432.908 2.043 30 10 IEEE Cc1ccccc1Cc1nc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 767678670 GLDPHLBJIQXELY-OAHLLOKOSA-N 440.481 2.251 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CCOC 772899919 JCDUTWLNMUBKHD-AWEZNQCLSA-N 433.599 2.329 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774218139 HFTBQPDNJPJWQB-ZWKOTPCHSA-N 443.491 2.112 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccncc4)cc3)CC2)cn1 786911997 KYHCAUBDTDDDLP-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(-c2ccc(C#N)cc2)n1 792988128 TWADEINMDRMIKO-IBGZPJMESA-N 445.527 2.179 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 812188113 KIBSMZWCPMUUPJ-HXUWFJFHSA-N 447.543 2.357 30 10 IEEE Cc1nnsc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 813564668 HPXWMJYOGCNPMO-ZDUSSCGKSA-N 438.604 2.108 30 10 IEEE COc1ccc(F)c(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 814687144 AFNRQNBBAFNZTD-UHFFFAOYSA-N 438.437 2.209 30 10 IEEE COc1ccc(NC(=O)COC(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCCCC1 815412135 RABPCXUPHWBQJO-UHFFFAOYSA-N 435.502 2.045 30 10 IEEE N#CCCN(C(=O)c1cn(CCO)nc1C1CCOCC1)c1ccc2c(c1)OCCO2 856622303 KGFQSDUXSXLROM-UHFFFAOYSA-N 426.473 2.101 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)cc1Br 1132863757 IAWUFZDOITUTCG-UHFFFAOYSA-N 445.273 2.206 30 10 IEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C#N)c(F)cc3C)cc2)CC1 1133130995 AMJMIULWEILBHD-UHFFFAOYSA-N 444.488 2.111 30 10 IEEE C=CC1(CC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CN(C(=O)OC(C)(C)C)C1 1136557178 VUHGDMZJUUWRJT-JOCHJYFZSA-N 442.516 2.171 30 10 IEEE C=CC1(CC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CN(C(=O)OC(C)(C)C)C1 1136726699 INXJGZXORMFJCV-INIZCTEOSA-N 428.533 2.294 30 10 IEEE C#C[C@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccc(Cl)cc1F 1140478059 LZUPYLYBCMADBP-KRWDZBQOSA-N 443.866 2.004 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1142127279 UNJATLHJBIFKKW-HCKAZOGZSA-N 436.434 2.049 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1150569175 ZSTIBUJDDRDOPF-ROUUACIJSA-N 438.956 2.435 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1155784382 OGVUESHZCKUCDT-MLGOLLRUSA-N 425.482 2.108 30 10 IEEE C#CCN(CC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)C(=O)OC(C)(C)C 1166752837 WEMLBZVAAGSGGQ-GOSISDBHSA-N 435.546 2.290 30 10 IEEE CC(C)(C)OC(=O)C(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1170989719 BSBUVDOZAKVRGM-UHFFFAOYSA-N 446.573 2.313 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(F)(F)CO)CC1 1171647822 KCBJQHQSTCSQCL-AWEZNQCLSA-N 426.533 2.461 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1 1196790323 SSRYWYINNDOFJU-RDGATRHJSA-N 446.530 2.487 30 10 IEEE COC(=O)[C@H](Cc1cncs1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1197542670 MSXZWXDHIXNXBE-INIZCTEOSA-N 425.432 2.004 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3c4ccccc4OC[C@H]3F)CC2)cc1 1248656643 MAELZZJEBCYIEX-QUCCMNQESA-N 444.488 2.046 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1253778692 AIXAHCDJPFXFJM-MRXNPFEDSA-N 440.541 2.439 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2nc(C)c(C)s2)CC1 1286490460 VYMPYYSXQIGUKN-UHFFFAOYSA-N 435.557 2.428 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286633735 ZXIGYOVOGQPCNK-UHFFFAOYSA-N 426.912 2.142 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1286726939 KWLZPNATCWEHQA-OAHLLOKOSA-N 427.571 2.107 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286764768 ZJMDBGBHHDSURG-ZWKOTPCHSA-N 449.577 2.034 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCN2CCN(C(C)=O)CC2)C1 1286804877 MNGYHEKYUNONCI-NRFANRHFSA-N 438.576 2.199 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2COCCO2)C1 1286811600 CYBDGPGWFOUOST-PMACEKPBSA-N 430.505 2.062 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC 1286820757 QZWGULPKGQPNLU-MRXNPFEDSA-N 441.598 2.450 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCc1ccccc1 1288826741 UWFCCMRIBMVGJO-OXJNMPFZSA-N 434.541 2.353 30 10 IEEE Cc1cccc(-c2nnc(N(C)OC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1289931894 RZDFFIDSLYBMAF-VZCXRCSSSA-N 437.504 2.485 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 1290405403 RSKWISZNDUGISF-FQEVSTJZSA-N 449.479 2.065 30 10 IEEE CCC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1293878237 WCKPYDHPGFQPCU-IERDGZPVSA-N 431.562 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1297537931 SDSNRXMNVCEGMB-MRXNPFEDSA-N 433.471 2.016 30 10 IEEE CN(c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1298117809 NEJNJJBYRFEKDH-RJCBAWPRSA-N 442.907 2.350 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1300268488 QTKDUHKWOMFASY-HNNXBMFYSA-N 426.487 2.246 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1300495122 DAFBVXNRIAVOMF-NSHGMRRFSA-N 434.606 2.475 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300535303 JPFIJXXEFGKDTR-HSZRJFAPSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCS1(=O)=O 1300548557 KMXIZVIJXNKAMJ-HXUWFJFHSA-N 426.542 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)NC2CCCCC2)CC1 1300723041 PBMSKBMNXUZGDA-UHFFFAOYSA-N 440.592 2.350 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccccc1CC 1300757007 YXRCHRKPJKSEOV-GOSISDBHSA-N 440.573 2.233 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC[C@H]1C 1300840775 WUSAPRWPBBVFHI-RCOXNQKVSA-N 441.532 2.130 30 10 IEEE COC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1301022950 HVXMUPKXCDPNDW-FQEVSTJZSA-N 439.564 2.265 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301507918 BCSAFWRGLMYCHJ-IBGZPJMESA-N 439.560 2.140 30 10 IEEE C=CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301621012 OSAYRIBMNDIQTD-UHFFFAOYSA-N 431.562 2.402 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOCC2)cs1 1304666808 XDGOHBYNGIFMAK-UHFFFAOYSA-N 429.594 2.486 30 10 IEEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1314754520 FGFNOUZMBXKYEX-LEWJYISDSA-N 434.500 2.300 30 10 IEEE COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1315876033 SMLKCCHHHWKQBS-UHFFFAOYSA-N 435.488 2.091 30 10 IEEE CCOC(=O)c1sc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c(C#N)c1C 1349991526 PSERTHJOTTXWOU-CVEARBPZSA-N 428.470 2.037 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1 1358019404 ZACNJTZOVFHQBA-NHCUHLMSSA-N 435.480 2.149 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1358903710 HAWDOFMWBBEDBL-UHFFFAOYSA-N 433.560 2.414 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn2ccccc12 1358971844 KUFPXYILXCMVMW-UHFFFAOYSA-N 444.520 2.117 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(F)c(COC)c2)CC1 1359043704 FEMXHJGWGHYFON-UHFFFAOYSA-N 425.508 2.455 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359188177 IBNWCXIRHIZUEZ-KRWDZBQOSA-N 425.599 2.150 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1359208391 LIKVNAXYVFYWJM-HNNXBMFYSA-N 435.550 2.262 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCSC1 1359282151 RSGWIZZTRKQLLQ-WIYYLYMNSA-N 432.546 2.297 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359454966 AZNMUIWTEKXVJT-SBUREZEXSA-N 438.532 2.117 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1440746169 YMYKPAPDZKRWAM-UXHICEINSA-N 428.533 2.275 30 10 IEEE N#C[C@]1(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCc2ccccc2C1 1447863894 GLFUGWKTWCSJGQ-QHCPKHFHSA-N 439.537 2.013 30 10 IEEE N#Cc1cccc(C2(NC(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CCOCC2)c1 1461653064 RTHQPTZGBZAPQH-INIZCTEOSA-N 445.566 2.281 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)nc1C 1464904936 BXBHBPNHXKECQN-CNDDSTCGSA-N 439.588 2.479 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1 1466568399 BNNOBCFQCMLIOR-RISCZKNCSA-N 426.470 2.110 30 10 IEEE C[C@H]1CN(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCCO1 1466842464 WOMDSPSVVNQLHT-HNNXBMFYSA-N 435.366 2.374 30 10 IEEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1471247135 VJJNNHABKOWBKS-UHFFFAOYSA-N 434.562 2.190 30 10 IEEE C=CC[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)c1ccncc1 1474981911 ATRHCCKTNSPOIY-ZDUSSCGKSA-N 438.307 2.491 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1476412679 GELSPXKGGPKCNA-CHWSQXEVSA-N 446.451 2.295 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1499986192 CIFXVJRPARWCSW-XLIONFOSSA-N 440.548 2.221 30 10 IEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](F)COC 1503096917 XOEVAEGYXQUVCD-FQEVSTJZSA-N 430.528 2.383 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCc1cnn(C)c1 1507671178 FHVTWZBMHAUNJY-UHFFFAOYSA-N 426.528 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507805427 JKEVVPRHLKUWRY-PXNSSMCTSA-N 437.610 2.120 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507869950 BQPAYLORODDHRK-ZDUSSCGKSA-N 449.924 2.291 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1508009921 FOUMECPJPQIBQJ-INIZCTEOSA-N 431.562 2.440 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1508080940 GKIYLRWWYCNFOF-OAQYLSRUSA-N 448.527 2.446 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1508090925 QCBYYBPZAVTKBN-NRFANRHFSA-N 438.576 2.453 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)N(C)C 1509105391 AVUBIJQTUAKZIV-PMACEKPBSA-N 437.548 2.434 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1509712238 HKSBSKHTFMDELC-UHFFFAOYSA-N 444.543 2.453 30 10 IEEE CC(C)Oc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cn1 1509825201 FHNHWDWAWHNULA-NRFANRHFSA-N 427.484 2.073 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1516835287 RKGRBHOITYVJNE-QZTJIDSGSA-N 428.562 2.238 30 10 IEEE COc1ccccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1518419000 CNANATBJXYMIGI-CQSZACIVSA-N 427.486 2.090 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCO[C@@H]1CCCC[C@@H]1C 1519450630 QXYAUNCGUUEWJE-OMZCGLGVSA-N 433.553 2.326 30 10 IEEE Cc1cc(C(=O)NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)ncc1C#N 1538128982 KNXIJHFLVHHONA-MRXNPFEDSA-N 441.454 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N(CC)CC 1539266883 UQHZCYCPCACOST-FQEVSTJZSA-N 434.592 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1539311205 DFPGWVIQHIRPLR-UHFFFAOYSA-N 448.571 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@H]1OC 1539399674 PEWYELHKUIEHGO-QUCCMNQESA-N 446.573 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@@H]2C[C@H]2C(C)C)CC1 1539468995 LSAKDRORBTXFIP-YYDVJCTNSA-N 429.565 2.113 30 10 IEEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1539804277 UNDPULOEBFKTIE-KRWDZBQOSA-N 441.020 2.282 30 10 IEEE C=C(Cl)Cn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@]1(OC(C)C)CCOC1 1539819487 FOIWDYCGTTVWGX-SFHVURJKSA-N 432.974 2.085 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1540877333 RDIQTPBBXDKBNZ-LJQANCHMSA-N 445.483 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1540902079 ZWJIAIDRMOSICF-INIZCTEOSA-N 437.610 2.133 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCC2)CC1 1540902743 PDVOUOYQGGBRGJ-IBGZPJMESA-N 437.610 2.185 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)on1 1543437501 FUAMJYYHUQFWBH-HUUCEWRRSA-N 428.518 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@](C)(C#N)C2CCCCC2)C1 1543863393 CRUQDSUSOHZTAT-OXQOHEQNSA-N 427.567 2.389 30 10 IEEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1546337518 QYPDGIUYXHHBNP-PBHICJAKSA-N 438.550 2.359 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1555929200 WVDROTCOUUJWCD-OAQYLSRUSA-N 428.562 2.396 30 10 IEEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1556441907 LUWPRUCFIZHAJI-WGGUYMNQSA-N 437.566 2.122 30 10 IEEE C#C[C@@H](NC(=O)CCSCC(=O)Nc1ccc(C(=O)OCC)cc1)C1CCOCC1 1586730994 ZEFHRUKOOGTKGA-LJQANCHMSA-N 432.542 2.470 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1587702172 PILJBQULEGSPOC-HSZRJFAPSA-N 441.580 2.486 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1587818425 WIBDKSMOMFINKP-INIZCTEOSA-N 441.532 2.441 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCCN1CCN(c2ccncc2)CC1 1589252057 XXRZNEOOWNPRIZ-XMMPIXPASA-N 437.592 2.414 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H](C)C1 1589495541 RXYZRJKFLXLPMK-SFFUCWETSA-N 425.599 2.352 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1593741013 IEHSRVIHMNWJHS-RTWAWAEBSA-N 433.597 2.313 30 10 IEEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOCCS(C)(=O)=O)CC1 1594121875 HOHCTCNYRNIXQU-UHFFFAOYSA-N 443.573 2.499 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1594454173 CPXYIRPEOHPZJI-MRXNPFEDSA-N 425.599 2.498 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1594961551 CCQJLBFKQZGBTJ-HUUCEWRRSA-N 432.546 2.183 30 10 IEEE COC(C)(C)c1nsc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1596399180 RJKOHIDXRBCDOQ-ZDUSSCGKSA-N 428.474 2.135 30 10 IEEE CN(C(=O)c1cccs1)c1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567595 MJMHDRJXYCWHME-VBKZILBWSA-N 429.523 2.035 30 10 IEEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1612456005 UYYDMGJMJDRAFN-UHFFFAOYSA-N 432.532 2.404 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C 1613530424 DAQRBTGAFIOQFE-WAIKUNEKSA-N 440.548 2.244 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)s1 1618332339 WUEMCOMWRQZEFV-CYBMUJFWSA-N 446.558 2.121 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)C[C@H]1C 1619938694 COTJOZGAUNGMRZ-GOSISDBHSA-N 434.548 2.179 30 10 IEEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)n1 1620624010 MKCTUFFMFIDVGF-FQEVSTJZSA-N 431.500 2.471 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)CC1 1622494274 XUUCVLPFXLAWPF-UHFFFAOYSA-N 429.336 2.255 30 10 IEEE N#C[C@@]1(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CCCOC1 1625244266 GIHLEWORPXVAJN-NRFANRHFSA-N 431.489 2.241 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)c1 1630351128 FFKOKZDTVZNOEV-VUSLFOADSA-N 426.498 2.313 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OCC 1633296544 FTJRUEGSRMZVGP-HXUWFJFHSA-N 447.557 2.428 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O 1635949187 SXAMJFYWUARRSU-UHFFFAOYSA-N 441.440 2.191 30 10 IEEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CN(C)NC1=O 1637280399 BKQZNATXQFTIHM-FGZHOGPDSA-N 448.523 2.321 30 10 IEEE CCOC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCCOC1 1638315961 OPKLUFXQGPHQDT-LSJXTUFPSA-N 449.548 2.248 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2csc(-c3cnn(C)c3)n2)c(=O)c1C#N 1638640295 CYSCXOIVXJAHMR-UHFFFAOYSA-N 433.291 2.340 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1640675003 JZHOKHKQDBUQJC-MSOLQXFVSA-N 433.553 2.391 30 10 IEEE COC(=O)c1ccc(N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c(C#N)n1 1642182587 DXJIIUQAZMOXKS-INIZCTEOSA-N 428.514 2.243 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 1643889193 SHFFQWQVZKFNTG-WIYYLYMNSA-N 448.445 2.227 30 10 IEEE N#Cc1cn(CCNC(=O)Nc2cc(Br)ccc2N2CCCC2)c(=O)nc1O 1659760796 CZNPMTAKGCTDSW-UHFFFAOYSA-N 447.293 2.005 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1670227148 BCLVFROIXMVETM-FZKQIMNGSA-N 430.461 2.438 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1689878401 HAUCAKVIZIABQH-HXUWFJFHSA-N 447.543 2.480 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1689942654 BHWCUTLWLXUCTF-ACRUOGEOSA-N 442.564 2.134 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2([S@](C)=O)CC2)CC1 1690113462 KAVDTGHMWJNVCZ-WRGVRERRSA-N 425.602 2.486 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690179239 RRQJEHLNTULTOH-SPEDKVCISA-N 427.574 2.403 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC)C(=O)C1 1690482926 DGUQJLQNNJCGRN-UHFFFAOYSA-N 438.580 2.477 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1690595238 RQMNRYOSUBPZFK-LLVKDONJSA-N 425.299 2.346 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1690699202 BDIGVQCLRZZEHW-BRWVUGGUSA-N 429.487 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCCC)CC1 1690722563 NQKWQTXTUJNJDL-GOSISDBHSA-N 436.582 2.065 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1690729577 RIWHZRVSBNEACZ-QZTJIDSGSA-N 434.562 2.380 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1690999441 IPAYAYUOAMBSLA-MRXNPFEDSA-N 442.545 2.150 30 10 IEEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1691389587 JMIHKEKDSAPHPI-KRWDZBQOSA-N 436.582 2.097 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)N2CCOCC2)CCOC1 1692584271 UXIYHVWOSOKZHB-WMZHIEFXSA-N 446.596 2.169 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1695180431 NGFRBFPHYZUPBS-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C)cc1Br 1697381180 GYBCJZYOFXQEEG-HIFRSBDPSA-N 449.353 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1705479405 LJCXWEWJTZZQPY-IERDGZPVSA-N 431.562 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)nc1OC 1705500610 QJZWMAZSJNMREF-AWEZNQCLSA-N 440.529 2.188 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1705641195 WGKWGFFIWPBYBO-RXVVDRJESA-N 426.590 2.370 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(CCOC)CCC2)CC1 1705649267 QZOUKOCSFSTPLW-UHFFFAOYSA-N 438.576 2.456 30 10 IEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)C#C 1705663943 SKFRJLRRVICJPV-OAQYLSRUSA-N 436.629 2.467 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705666572 BVKRYAMYJXPRGZ-ZWKOTPCHSA-N 432.594 2.078 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](COC)C1 1705706047 OUPXBDPUYMBVMB-QRFRQXIXSA-N 433.578 2.467 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1705728977 GOHCPNPJXDTYDA-UHFFFAOYSA-N 427.553 2.033 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705783417 HEMXIHZEYPAKII-DQRAZIAOSA-N 433.516 2.193 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN2CCOCC2)C1 1705926308 BDQMYBCPXACVLE-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCO1 1705936346 PDPUYYRXQCVOGY-APWZRJJASA-N 448.545 2.007 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1706189399 DIJZYGQZALEDRX-WJOKGBTCSA-N 445.589 2.485 30 10 IEEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1706198209 HZJDRGSWFFSOQQ-UHFFFAOYSA-N 436.495 2.233 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1706745312 YPPHZCVQODMLQH-JTDSTZFVSA-N 446.577 2.359 30 10 IEEE Cc1nc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)sc1C 1706994974 FEHWNESXESWCSB-UZLBHIALSA-N 432.550 2.169 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711948743 IVAPYXXOHBRJBN-LSDHQDQOSA-N 447.499 2.220 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1722363526 AETIBORDKJDYRQ-MOPGFXCFSA-N 445.614 2.034 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCn2c(O)nc3ccccc32)CC1 1722444713 MWZXZWBZOSZYHO-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1722445893 DQAOUALVTIUEQN-NHCUHLMSSA-N 436.560 2.367 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722456774 FNJULAZZVGMZPL-NRFANRHFSA-N 441.582 2.198 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1722629891 PBQCQEBXINZWHU-HXUWFJFHSA-N 427.505 2.052 30 10 IEEE C=CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1722649183 LIYVULUBLCZBOS-UHFFFAOYSA-N 425.624 2.469 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)C)CC1 1722706076 MKEWKCLQTAWTHP-UHFFFAOYSA-N 426.565 2.307 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1722716057 SGCGDQZVJWHTOH-IRXDYDNUSA-N 432.546 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C)CC1 1722726122 WHHCWBMCNUYQMB-UHFFFAOYSA-N 432.550 2.153 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1722729039 WDEIUMZIVOUZJM-UHFFFAOYSA-N 436.553 2.154 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1723895235 WCUFMJGBXHOMIA-BRWVUGGUSA-N 434.541 2.062 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1727293602 GBGKMOBREXGCRG-GOSISDBHSA-N 440.548 2.242 30 10 IEEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1727770305 AEVFUBRODODNAL-INIZCTEOSA-N 434.504 2.118 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)Br 1730764554 ZUHXXDHTIIQHNW-UHFFFAOYSA-N 446.300 2.494 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1c1cnn(C)c1 1730831154 IRDJFXJGJXYLBK-IEBWSBKVSA-N 442.568 2.145 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1740637147 ROWVVMKQTPFELZ-SFHVURJKSA-N 435.553 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)CC 1740653130 BAFOABYJUGMBHR-UHFFFAOYSA-N 437.525 2.498 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1740670319 ONCLLHMTIMWUCV-OAQYLSRUSA-N 437.592 2.239 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)CNC(=O)C2 1740720939 RWKCGMUECSDYIR-UHFFFAOYSA-N 430.603 2.107 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 1740752762 AJBYRMNCBOVTOK-QFBILLFUSA-N 426.477 2.161 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740874223 PNGBSHGYDPHFHX-SFHVURJKSA-N 426.496 2.297 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740953581 LECSNEYCSPQWBL-KBPBESRZSA-N 449.353 2.201 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1740961199 OKACGCRCAPZHRM-UHFFFAOYSA-N 432.598 2.046 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOC(C)C)C1 1740981968 YKPJPGQQAFZYFI-QGZVFWFLSA-N 438.532 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1740991053 NBSIQBSHKSXXTG-UHFFFAOYSA-N 437.516 2.361 30 10 IEEE CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1745943820 JIPLTTKXRKPTER-CZIZESTLSA-N 437.460 2.368 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)C1 1746536704 HMJTYGZBSRDKNI-MRXNPFEDSA-N 438.504 2.380 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1748648107 YDFBAXBHBZYCNI-UZUQRXQVSA-N 426.517 2.482 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1748730716 QBUVNAPJFUIUKD-UHFFFAOYSA-N 439.520 2.396 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)N(C)C)CC1 1748979714 JNOPQWUALTZAKG-QGZVFWFLSA-N 440.617 2.365 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1748986737 IZVNSSVFCYZQNR-JGCGQSQUSA-N 448.596 2.331 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1749038956 ZVNVUCGJOKDQKK-NRFANRHFSA-N 433.528 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749129430 DEHOBKFMHUOGLU-CGXNFDGLSA-N 433.597 2.310 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1749218502 PLPNJLFLIIZQQM-SFHVURJKSA-N 449.939 2.151 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCCCC2)CC1 1749329798 RTSFKOHNCWMYLE-ZWKOTPCHSA-N 438.642 2.413 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CCOCC1 1749600414 XWZIOAJKYIVORL-QGZVFWFLSA-N 426.583 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749664425 NGHUSCIZSWFHKG-KDURUIRLSA-N 426.565 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCOC2(CCCC2)C1 1749730914 VKIBGYHUYASDQR-UHFFFAOYSA-N 431.562 2.399 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1749748861 BOYHFZGSGDEJDB-HNNXBMFYSA-N 429.546 2.302 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1749858377 GZEPPONAACHWQS-YADARESESA-N 447.543 2.442 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1O 1750339382 MOFJUBSEUGXDFF-JLSDUUJJSA-N 433.459 2.360 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1760329574 DSQXHUCCFRPISX-UHFFFAOYSA-N 433.582 2.085 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1760464127 ADFYIYIKKJZUEP-LJQANCHMSA-N 445.589 2.333 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@](C)(CC)O2)C1 1760535931 ZUMXWWMGPWQYGQ-CLWJZODNSA-N 441.598 2.017 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@H]1C 1760696625 RXRANFJQBFRDFA-GUDVDZBRSA-N 436.626 2.431 30 10 IEEE C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)N(C)C 1761425937 DSMOVMXZNITZOL-ZACQAIPSSA-N 433.557 2.029 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccncc2Cl)CC1 1769346252 SNLPNHAEVZLVAV-UHFFFAOYSA-N 436.907 2.375 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1770801520 FGDPWOYABBGJGV-SJLPKXTDSA-N 440.483 2.183 30 10 IEEE COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1771096185 DBBUSPYVXRZMBJ-UHFFFAOYSA-N 436.520 2.137 30 10 IEEE C[S@](=O)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1771371820 GZXLETOXNSMHLT-KEEVHDRGSA-N 425.493 2.104 30 10 IEEE CN(CC(=O)N1CCN(c2ncccc2C#N)CC1)c1ncc2c(n1)-c1ccccc1OC2 1851850946 KORFQQPGZFGEMD-UHFFFAOYSA-N 441.495 2.088 30 10 IEEE N#Cc1c(NC(=O)[C@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)nc2n1CCCC2 1851879806 ZNKMFXNMFMIBTK-KRWDZBQOSA-N 433.578 2.099 30 10 IEEE Cn1ccsc1=NC(=O)[C@@H]1C[C@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1852773657 PYFNOSASUNTVIJ-VXGBXAGGSA-N 446.330 2.159 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1(C)C 1856372092 GXUWQQOFMPRSRX-KRWDZBQOSA-N 439.965 2.129 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCc3ccccn3)cc2)c1 1858651592 ZLUWLONZHKYISE-UHFFFAOYSA-N 449.492 2.071 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862609256 ILSHPYPIHIRHLO-BLVKFPJESA-N 440.408 2.325 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1870095666 SPFAKYOHXBCFCS-UHFFFAOYSA-N 426.458 2.297 30 10 IEEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870561460 NSIZPXJIIADIQQ-UHFFFAOYSA-N 431.540 2.469 30 10 IEEE CN(C(=O)c1ccnc(C#N)c1)C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1 1890366219 YLILRROOSOCQGV-UHFFFAOYSA-N 428.431 2.158 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CC1 1891418204 HBHYRUUOWLZHMZ-INIZCTEOSA-N 443.891 2.496 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060633826 RVMNASSUUCIYAK-AWEZNQCLSA-N 438.305 2.339 30 10 IEEE CN(Cc1c(Br)nnn1C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2124445335 QOCHZJSKRMGJCF-LLVKDONJSA-N 429.319 2.123 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387464 UVPBWSDNJDFSLE-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248401988 QKPYMBSCECIGEY-LSDHHAIUSA-N 426.319 2.294 30 10 IEEE COCC1(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2255593876 FSRDJHSMCGXJGG-UHFFFAOYSA-N 436.358 2.401 30 10 IEEE CC(C)N(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2255653080 DPHZSGYUXABHOH-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2255657698 SPGHASPSNQVWPP-YOEHRIQHSA-N 431.342 2.395 30 10 IEEE Cc1nc(NC(=O)[C@H]2C[C@H](C)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256597199 DJSCYFMVMCWSGA-SWLSCSKDSA-N 432.330 2.421 30 10 IEEE COC[C@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2256668495 BCFCYVXYUFQREP-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267009079 JMZDJBSLYTWYNI-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2267092555 WZOJZFPXSFWYPE-DLBZAZTESA-N 446.307 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CCC2 2267144468 WYVZWYCUGBHIRW-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183024 CTCCWFATOUODRF-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267186158 FYRMMSHPAJPAQN-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267186481 KMBKGGOSJNGXIU-SFHVURJKSA-N 438.381 2.456 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267502512 OWRXMTWZFQRQAT-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1 2267517016 MJJUOJSWZUADBA-UHFFFAOYSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267552988 WTIOFJQXRIKMBF-HOTGVXAUSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267592483 MTGGJXPQAGRJCL-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 2267599683 TXMLCVGLSWLUTK-SFHVURJKSA-N 448.369 2.252 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCC1 2267614123 JSDHSFLJTLJNAH-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268641304 MXMVTEFTBPAEMA-RVKKMQEKSA-N 448.369 2.437 30 10 IEEE C=CCn1ncc(N[C@@]23CO[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c(Br)c1=O 2281272238 IWOSGXHHUWJVOW-RRUGBERISA-N 441.326 2.428 30 10 IEEE Cc1cc(CN2CC(O)(CNC(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2320588955 TYDKCNJFVVLVDQ-UHFFFAOYSA-N 432.370 2.366 30 10 IEEE CN(C)C[C@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322261536 GRXZKUPSGDYUJJ-AWEZNQCLSA-N 439.337 2.354 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(Nc1cc(Br)ccc1C#N)C(=O)O 2347978014 LKBZGWAEHJZRRI-DYVFJYSZSA-N 426.267 2.480 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)[C@H]2CCN1C2 2368599679 SSVWRRGOWGBELV-WDEREUQCSA-N 446.086 2.476 30 10 IEEE C=C1OC(=O)O[C@@]1(C)ON1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1 596990 ZBDVTPRXALZLIJ-NRFANRHFSA-N 447.419 2.309 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2C1=O 16115647 KDJJDDXXSJRRNB-UHFFFAOYSA-N 435.392 2.123 30 10 IEEE COc1cccc(/C=C2/Oc3cc(OCC(=O)N4CCN(C)CC4)ccc3C2=O)c1OC 33589173 ORHBMYCMYCZPJW-FYJGNVAPSA-N 438.480 2.473 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 57861054 WOAUOIILNDBQCN-UHFFFAOYSA-N 440.529 2.114 30 10 IEEE C#CCN(C(=O)c1ccc(Br)cc1Br)[C@@H]1CCS(=O)(=O)C1 218835499 VVNDUHAGBBFNJY-LLVKDONJSA-N 435.137 2.474 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1 437818270 DGAYLSVZWASBFD-UHFFFAOYSA-N 436.438 2.343 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)cc1 444848425 NPWBHWKYRXOFFR-SFHVURJKSA-N 446.577 2.326 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c(Br)c1 462418063 XHQYHWIFVMCLSB-UHFFFAOYSA-N 439.287 2.465 30 10 IEEE N#CC1(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CCSCC1 464401785 FXMUSGMOWAIJIO-BUAHTRFOSA-N 447.560 2.371 30 10 IEEE Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 477970872 YTQLYRUUABOYKH-FQEVSTJZSA-N 440.525 2.325 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481495538 TXNGSZXMIONWTG-HNNXBMFYSA-N 428.470 2.348 30 10 IEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(O)nc2ccccc12 486629164 RGTSCMRSYJOSLK-UHFFFAOYSA-N 436.493 2.267 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)CCOC)cc3)cc2C1=O 499516327 ADJKJJZOUFZOCQ-UHFFFAOYSA-N 428.466 2.141 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 502465648 FTSXWSAUKCKSIA-UHFFFAOYSA-N 444.512 2.189 30 10 IEEE CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1 506405011 HBFYDQGEKSNPFK-UHFFFAOYSA-N 429.498 2.169 30 10 IEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(Cc2nc(C)no2)CC1 559010064 VTISQJCXATXFAL-LJQANCHMSA-N 437.504 2.380 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1Cl 573610533 PFKODRJKBFQJDJ-UHFFFAOYSA-N 440.934 2.274 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H]1c1ccc(Cl)cc1 581702398 GRFSIOYXIUHEBO-NQIIRXRSSA-N 438.919 2.410 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 593279062 JOOCPRWHJWGLNX-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc3ccccc3n2)CC1 609640009 LNUNALOFPLLGGZ-UHFFFAOYSA-N 435.509 2.323 30 10 IEEE CCc1cnc(N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)s1 610349990 IMCUHELEZRFVMQ-UHFFFAOYSA-N 425.562 2.473 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](OC(F)F)C3)CC2)cc1 611586414 ODMCRSAWTRRSQX-MRXNPFEDSA-N 427.473 2.189 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729669042 YFNGHGCETXWREI-UHFFFAOYSA-N 426.501 2.419 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 729671359 HRAUDTHYVDLSPD-UHFFFAOYSA-N 438.549 2.142 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c(C)c1 730143780 VHTSBDOEGHZGFP-MJGOQNOKSA-N 432.590 2.482 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1C 731846263 DIBXHJWEYWMIAK-UHFFFAOYSA-N 439.604 2.426 30 10 IEEE COc1ccc(CNC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1C#N 746784961 JLWFHOXQSMCGAQ-NRFANRHFSA-N 433.512 2.200 30 10 IEEE CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 752097911 CMZUPBGAFWDSTM-INIZCTEOSA-N 435.322 2.374 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 752613669 IPJZOYUVVQNUDV-KUHUBIRLSA-N 430.482 2.370 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 764774691 YIBRBCYEOMGRGZ-UHFFFAOYSA-N 426.281 2.408 30 10 IEEE C#CCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774193031 PHBAJZADBFNYMB-KRWDZBQOSA-N 441.500 2.089 30 10 IEEE C#CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 785436466 RZHIJAGKSUBUST-UHFFFAOYSA-N 427.887 2.334 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@](C)(O)Cn1ccccc1=O 790683298 CXKQHSCVDBIOEZ-QVKFZJNVSA-N 429.498 2.175 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](C(F)F)C2)cc1[N+](=O)[O-] 801009897 CCOMTEFLKJZYJZ-MRXNPFEDSA-N 435.387 2.487 30 10 IEEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccccc2F)n1 807928630 BTFBUTZZQPSIOM-ZDUSSCGKSA-N 444.414 2.155 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 809886585 JQWDQIMBPXRAIC-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)OC)c2ccc(F)cc2)ccc1F 813317663 BTJSWPNLHRROFF-HXUWFJFHSA-N 438.452 2.247 30 10 IEEE C[C@H](F)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 814710256 ONVCKSVPJRRGLA-SUMWQHHRSA-N 438.525 2.163 30 10 IEEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704663 WQTNVKPDXINNCC-KRWDZBQOSA-N 439.472 2.404 30 10 IEEE CC[C@@H](CO)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1137644300 OHYNPJUVJYPZFR-FPOVZHCZSA-N 442.560 2.308 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)cc1S(=O)(=O)NCC#N 1140286155 UZPWLUZRTUANJY-SFHVURJKSA-N 448.545 2.024 30 10 IEEE C[C@H](CC(=O)NC1CCC2(CC1)CCN(C)CC2)/N=C1/NS(=O)(=O)c2ccccc21 1141427490 SKVGVUJKYYXFCE-MRXNPFEDSA-N 432.590 2.275 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)OC)s1 1149304551 NEABLKOHZUEASW-IFXJQAMLSA-N 436.555 2.422 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]cc2C(=O)OC(C)(C)C)s1 1163330759 ZXPHCDXGQOYRNA-UHFFFAOYSA-N 426.520 2.072 30 10 IEEE CC(C)(CO)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cccnc1 1194674358 GCJOQGCWIKKBAA-GMAHTHKFSA-N 439.535 2.279 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(CCC(=O)Nc4ccc(C(N)=O)cc4)CC3)n[nH]2)cc1 1195891714 CLJZGWXOXNBTFV-UHFFFAOYSA-N 443.511 2.198 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)c(F)c1 1230738296 RUCUJADBMBHZFM-UHFFFAOYSA-N 437.415 2.227 30 10 IEEE N#Cc1ccc(C2=CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)cc1 1251127940 PGFUOSXCDXRPRS-UHFFFAOYSA-N 433.390 2.382 30 10 IEEE COc1ccccc1-c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(O)n1 1266190604 CZHFMQINWPTMAT-OAHLLOKOSA-N 430.468 2.475 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1286387498 RWAHFFGFMFWYHX-SFHVURJKSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1286430988 LOTSXPMPTZHJLD-HXUWFJFHSA-N 437.519 2.133 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCCOC1 1286454964 PQRXXHWBJLMBEU-INIZCTEOSA-N 447.536 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC[C@@H](F)C2)CC1 1286492374 JJFADAOMZKJVBG-AZUAARDMSA-N 441.555 2.244 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286510389 QYKHHQVRTHKBRZ-SFHVURJKSA-N 448.614 2.409 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286512191 JQBSBWODGLFNGY-MAUKXSAKSA-N 448.511 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](COC)OC 1286525017 HRRQJEDDUGKQMN-AUSIDOKSSA-N 439.564 2.106 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1286605247 TVJNGMRQOVERFF-IBGZPJMESA-N 429.521 2.270 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 1286605540 ZQCVPFAOGSCRLP-UHFFFAOYSA-N 444.561 2.311 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CC)C1 1286606396 OKIQNJFWHPWIKG-KRWDZBQOSA-N 448.593 2.446 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(CC2CCOCC2)CC1 1286711998 WDMJZVLADLBMGP-UHFFFAOYSA-N 428.581 2.425 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1286792552 BNFPNIMRNQVLMZ-HNNXBMFYSA-N 432.937 2.255 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCCC3=O)cc2)s1 1290669516 QJMAUXJXYVVEJH-UHFFFAOYSA-N 433.555 2.198 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1300307507 FWCOUCYVNFRGMR-SJLPKXTDSA-N 432.594 2.382 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1300490657 AQSQLYAODFSYRS-IAGOWNOFSA-N 431.587 2.028 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300499554 UQIDBGSIWDDBFN-MJGOQNOKSA-N 445.614 2.034 30 10 IEEE COc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1300632075 BROMIUTUJCPIFQ-HNNXBMFYSA-N 436.472 2.046 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1300752193 WYFJVJNAQMAVJI-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1300756177 HQXFJZRIYHAVDR-UHFFFAOYSA-N 445.614 2.423 30 10 IEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1301159817 GSXPCMCKRMPRPO-UHFFFAOYSA-N 437.591 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(C)C)CC1 1301568312 QXBLGIVNONUCJD-UHFFFAOYSA-N 446.577 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1301578077 RLURJFKIMWWLJF-INIZCTEOSA-N 429.546 2.421 30 10 IEEE CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1302945862 KVWONWULNHIEOP-SFHVURJKSA-N 439.564 2.122 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc(F)ccc2Br)c1=O 1307378509 HXPOHHARNWLAAV-UHFFFAOYSA-N 438.253 2.173 30 10 IEEE CC(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1309461464 FINAHCZWUKULHO-HXUWFJFHSA-N 440.525 2.232 30 10 IEEE C[C@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1312479602 LQTIIQIZBMICAP-HRAATJIYSA-N 442.541 2.246 30 10 IEEE CCN(C)C(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1313557176 DGJDEIHPQJKQID-FQEVSTJZSA-N 432.525 2.499 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(F)(F)Br 1316176011 FSUMYRWYUCQAIC-ZWNOBZJWSA-N 426.237 2.432 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCCC1 1358880839 UKUGTLLXANJUTJ-NQIIRXRSSA-N 433.564 2.499 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1358915930 UMWAIDCVWXMVGR-CABCVRRESA-N 429.502 2.187 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1358946470 WEKMPNIELZUOJT-QZTJIDSGSA-N 433.560 2.382 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCC1 1358987417 FYCPIFZXBAMCIM-UHFFFAOYSA-N 426.542 2.117 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)OC)C1 1359059509 PNNBCPANVPTLPK-KRWDZBQOSA-N 438.557 2.272 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 1359102326 AALCPFAPDDDRHR-UGKGYDQZSA-N 441.580 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cccs1 1359326694 HZWYEFADUUMGHX-OAHLLOKOSA-N 437.591 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1359333602 CVRAEYGIIQUJBS-LJQANCHMSA-N 446.573 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccccn1 1359335767 UNTMSUNUOCWANY-OAHLLOKOSA-N 435.460 2.461 30 10 IEEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359603420 QFRMWEXYNZBEKR-UHFFFAOYSA-N 448.487 2.217 30 10 IEEE CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H](C)CS(=O)(=O)CC 1360303447 DMCOGLPVSFTZJN-ZFWWWQNUSA-N 425.938 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1464922198 FNBCFDOBULRVND-XUTLUUPISA-N 440.500 2.236 30 10 IEEE C#CCOc1ccccc1CNC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C 1465188612 KBHHLWLSIHDXJM-MOIQIXESSA-N 434.414 2.300 30 10 IEEE CC1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1494075333 YQUJGHZZXSFHIM-IBGZPJMESA-N 425.493 2.314 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1505136073 ACYSYSRBXGXSOO-SJLPKXTDSA-N 432.525 2.037 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1507521245 WIICTYIHYNIGSP-GFCCVEGCSA-N 440.367 2.081 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1507626802 PCUDNCVLVFXOOY-PGRDOPGGSA-N 446.573 2.132 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCO[C@@H]1C 1507714830 XTGPXTIKNOMWDH-XXBNENTESA-N 428.533 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCc2ccc(OC)cc2)CC1 1507731217 DCRHPHIOBSFUBL-OAQYLSRUSA-N 439.560 2.153 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C)CC2)CC1 1507740026 ILZNBVUBECWZHM-UHFFFAOYSA-N 440.573 2.036 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 1507837662 CTSFXXCPQPEBNO-UHFFFAOYSA-N 426.340 2.298 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1516069016 QMKVWAOUEFCSLV-HOTGVXAUSA-N 428.493 2.400 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1516667827 UTXJLWOJKMDOEI-WZONZLPQSA-N 438.532 2.070 30 10 IEEE COc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc1 1518334799 MMTRFTLZDLZNDU-LJQANCHMSA-N 436.472 2.266 30 10 IEEE CC(C)C[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 1537436500 UPBQEWNVNKJHIL-ROUUACIJSA-N 438.569 2.353 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOc4cc(F)c(F)cc43)C2=O)cc1 1537920753 TTWIRKGKUFYLAC-MRXNPFEDSA-N 426.379 2.467 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1539065829 LCGJYRMWTQWLBB-AWEZNQCLSA-N 430.450 2.055 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCOC[C@@H]1C 1539336787 GIPVOPBNFKKVHR-IBGZPJMESA-N 425.508 2.180 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540872110 CXHSFPNRNSWUBV-UHFFFAOYSA-N 438.576 2.174 30 10 IEEE CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1540950974 LZPAEBTXTLKMFY-UHFFFAOYSA-N 437.548 2.270 30 10 IEEE Cc1nccn1CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1542981237 BVOYFAPVTOGEJE-KRWDZBQOSA-N 434.552 2.059 30 10 IEEE N#CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)(F)F)CC1 1555989826 GTLXQMWGOXKIAR-UHFFFAOYSA-N 436.394 2.092 30 10 IEEE Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(=O)n(C2CCCCC2)n1C 1557323673 XNYFLYZYODFOLD-CQSZACIVSA-N 445.545 2.178 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)C1=O 1563131851 ZSYSMMPDOAYKNQ-ZDUSSCGKSA-N 442.335 2.030 30 10 IEEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1587509188 ZLNFVQSSQQUCLC-OAQYLSRUSA-N 445.516 2.235 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587650694 FUTJHFGDJNCZDJ-RTBURBONSA-N 431.544 2.390 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588050107 PBISDMOYMWKXEG-MRXNPFEDSA-N 427.530 2.090 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3c(F)cccc3F)CC2)cc1 1588157698 GDFVTLHIMQDDER-UHFFFAOYSA-N 447.463 2.332 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1588377810 BIXUBXPVGTZNGO-LJQANCHMSA-N 432.546 2.462 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1588858101 XRVPVVFOHCGTFM-GOSISDBHSA-N 430.597 2.489 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1589006355 DRNMOZURECZLJX-HXUWFJFHSA-N 428.518 2.182 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589544051 DYQXISSLOHTHIH-KNQAVFIVSA-N 446.640 2.495 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1593752627 NWRVPVAPELWYOB-PMACEKPBSA-N 432.613 2.060 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1593884114 BXLOZWHKYQWLQF-INIZCTEOSA-N 443.932 2.139 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1594448522 HUXHVOPTCWTRSX-HXUWFJFHSA-N 443.640 2.333 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1594567143 NBPRMSSCLRDAGP-GOSISDBHSA-N 449.563 2.247 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1)C1CC1 1595020209 APMGQEJMJASNSB-HNNXBMFYSA-N 433.578 2.319 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595500708 CGXRCISSBKALGE-SFHVURJKSA-N 425.924 2.077 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1596513795 FFHUYYWGPSJXDC-UHFFFAOYSA-N 448.531 2.039 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CCO1 1596632849 GGWYUQMRKDAMBE-YZGWKJHDSA-N 426.496 2.296 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C 1606951785 JZBFLKCTCHWEOK-KRWDZBQOSA-N 429.569 2.195 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1608225731 AFCJKLOPSQNVPY-SSEXGKCCSA-N 430.578 2.472 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1619407905 UDVVEOFOGJIXTL-DQRAZIAOSA-N 436.516 2.393 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCCN2CCC(O)CC2)C1 1620347819 DEDVUSDECQCPBB-HSZRJFAPSA-N 426.540 2.352 30 10 IEEE N#Cc1c(CCCNC(=O)C2CCC(N3CCOCC3)CC2)nn(-c2ccccc2)c1N 1624277401 JWZDNATWZIIHME-UHFFFAOYSA-N 436.560 2.266 30 10 IEEE C=CCN(C)CCN(CC)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1635757746 KNFMNKOODCIQJY-UHFFFAOYSA-N 430.553 2.376 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 1637874221 UOXODRRFEYJING-CMDGGOBGSA-N 430.482 2.099 30 10 IEEE C#CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)cc1 1640394873 JFDXOWNKTLSKTF-IBGZPJMESA-N 428.510 2.486 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H](CCC)NC(=O)NCc2ccc(Br)cc2)CC1 1641976416 IFBLGDWOFGGACV-QGZVFWFLSA-N 436.350 2.404 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC)cc2C(=O)OCC)c1 1644863982 NRYZORYGVOLJBJ-UHFFFAOYSA-N 430.482 2.426 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OCC)c(Br)cc2F)C1 1666053535 RUKLKIFXQLZGBX-LBPRGKRZSA-N 447.326 2.141 30 10 IEEE C=CC[C@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccncc1 1679027292 WJPLETNLHLCSLO-FQEVSTJZSA-N 429.546 2.139 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NCc3ccccc3S(=O)(=O)N(C)CCO)cc21 1680802009 AEINTNMSCDQKPA-UHFFFAOYSA-N 443.529 2.157 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Br)cc1 1683681216 MNWQBSYMBUVXPN-LJQANCHMSA-N 447.377 2.463 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1689863060 MAUXZOFFPGBBJX-QGZVFWFLSA-N 439.483 2.211 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689986073 IANRBJGKDBQZKI-ZWOKBUDYSA-N 443.573 2.170 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690046503 CIQOZOGLFMFRCD-XUVXKRRUSA-N 446.617 2.484 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC(C)CC2)CC1 1690170605 NXARUWOZKFWSSA-ACBHZAAOSA-N 430.622 2.296 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690243135 HLQBYVRIRMAKTJ-QYZOEREBSA-N 431.562 2.335 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690374598 WSJJGGMRCJZYCZ-GOSISDBHSA-N 431.562 2.219 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1690572223 WXZVADYTBJKZSS-IERDGZPVSA-N 431.562 2.308 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1690596905 DDNKOWOKYHMTIN-GOSISDBHSA-N 444.557 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690662173 SZTCVYVDXVOTKM-IUODEOHRSA-N 437.342 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](C)C1 1690662951 GYCSHNYBHVYFRF-INIZCTEOSA-N 431.562 2.277 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690733937 QVMNZLGINLXTOJ-QGZVFWFLSA-N 443.577 2.149 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CC1 1690840064 DBSPELYIOXWEJK-UHFFFAOYSA-N 430.516 2.382 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CCCO2)C1 1691285125 WQUBQLTXZRMQPY-MPWIWIEXSA-N 446.552 2.347 30 10 IEEE CCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1696434947 YUGNFUJZHBDYGF-QGZVFWFLSA-N 434.541 2.363 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1696437255 ALYFFKWVHWJBIW-UHFFFAOYSA-N 436.520 2.273 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1696731917 XQLLFGJFFSXLEK-HTXNQAPBSA-N 445.474 2.292 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1705475804 VNXRKFHOLIEEPH-CQSZACIVSA-N 449.906 2.322 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CCOC)C(=O)C1 1705531703 SYIPZZUOZYOPGY-UHFFFAOYSA-N 434.500 2.309 30 10 IEEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705549129 IRMKKOZOTUDADN-CEXWTWQISA-N 438.532 2.434 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705558082 JRLHDIZBFFDVHI-HSALFYBXSA-N 444.624 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705580658 NTDXXOBYDHMTJD-OAQYLSRUSA-N 440.555 2.019 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705683159 ANUJDJFEKHYPJS-CYBMUJFWSA-N 441.351 2.486 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705725206 OBMVEIMWSDQXOP-KRWDZBQOSA-N 449.552 2.398 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705761006 XXIDFBLBZYFZBV-KXBFYZLASA-N 438.916 2.341 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1705819139 DVNUMKROZDGAMO-DLBZAZTESA-N 432.546 2.423 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)CC1COC(C)(C)OC1 1705907536 PQVDEMCLJNHAMC-UHFFFAOYSA-N 427.549 2.201 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1705914256 KDTDMPAOFQBATA-UXHICEINSA-N 430.597 2.416 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1706603038 HJIWFCJCYVKAOQ-HXUWFJFHSA-N 437.520 2.162 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1706912919 AZUIOGQVHFLZLY-GQYSXLKBSA-N 433.509 2.197 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccc(C#N)o1 1712636691 YRMUURLGNXRZLG-LPHOPBHVSA-N 445.520 2.350 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1712645874 OZHIJTMSEWOSEC-LPHOPBHVSA-N 428.537 2.436 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccn1C(F)F 1722375837 SFVACSNBCKGHAY-UHFFFAOYSA-N 444.467 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(OC)nc1OC 1722378170 MWSXGXPBXURQJQ-UHFFFAOYSA-N 431.452 2.207 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1722436518 IJWHKDONUKFHOY-UXHICEINSA-N 446.596 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1722446947 DUKROBFIALWCPI-LEWJYISDSA-N 442.608 2.012 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1722574219 HYCGEBRVNBKWQG-NKMKZGIRSA-N 437.610 2.232 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722688822 MGQHNYIALZMRJU-SUNYJGFJSA-N 446.379 2.324 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1722698221 WICJSLPWZUSOOE-OALUTQOASA-N 440.596 2.072 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@@H](C)C1 1722706840 ZMOKRDSGLUHFAU-IRXDYDNUSA-N 429.521 2.172 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCn3ccnc3C2)C1 1722708978 HLGPDWNIUGCSOR-IEBWSBKVSA-N 441.580 2.437 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCOC1 1722735565 PJRRVIRACILKLM-MRXNPFEDSA-N 426.550 2.313 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)CC1 1724010016 LOIDCEOMGPMOQX-MRXNPFEDSA-N 446.552 2.241 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1728297528 MHEMASKPNZPFGS-QGZVFWFLSA-N 436.497 2.343 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1729637092 FPLAJMREPGAENY-OXQOHEQNSA-N 430.459 2.203 30 10 IEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1731091364 AHYDWHHQXDBXRY-XMSQKQJNSA-N 442.589 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(C)noc1C 1740684718 ZQDUSIHVTZHQDV-UHFFFAOYSA-N 433.472 2.333 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[S@@](=O)CC)CC1 1740689899 DXKOFSQMUXHZBA-ZOKDDAQRSA-N 433.553 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)CC1 1740704626 VEUCCCNOVSEKKZ-UHFFFAOYSA-N 443.486 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@@H]2CCCCO2)CC1 1740709198 CSCSXMCJZYVHRW-VQTJNVASSA-N 429.565 2.445 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740719822 RSQRCTJRMRXNBK-NRFANRHFSA-N 448.589 2.389 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(F)F)CC1 1740954737 FNXFDTWGUVGDCN-UHFFFAOYSA-N 441.486 2.183 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCN(C)C1 1741127724 HHMGCAOWMDFNNJ-AUUYWEPGSA-N 433.354 2.370 30 10 IEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1743878641 DHWNAFFQLOQNEM-APWZRJJASA-N 446.515 2.040 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1745579312 FGTXVLIDOAPWMS-YADARESESA-N 435.576 2.463 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747868895 BYFWUDNNCVOYMR-UNEBPCJRSA-N 428.537 2.010 30 10 IEEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1748718366 QFQSQFPXROIWFA-UHFFFAOYSA-N 448.593 2.310 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1748765966 AZOPTULAIVTCPX-UHFFFAOYSA-N 439.520 2.394 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)[C@@H](C)CC 1748776312 DSAUHIVEKAEIAX-QFBILLFUSA-N 433.578 2.326 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748812606 XVJMNPXAUXHCPH-GOSISDBHSA-N 445.589 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cccc(Cl)c1 1748824929 UDIGMACSCFEEBZ-JOCHJYFZSA-N 425.920 2.148 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCOC[C@@H]1C 1748842021 CZVHGAWCTYMLAH-IBGZPJMESA-N 430.512 2.394 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCCCC2)CC1 1748994460 IJUBWPUNESWDKN-UHFFFAOYSA-N 438.624 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1749136615 PTTMNTJDYQGXFC-UGKGYDQZSA-N 430.597 2.302 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749204609 ODZKXZVPHVDLFX-UHFFFAOYSA-N 442.539 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C(C)C 1749730811 RLHONJYTCIKNMN-UHFFFAOYSA-N 430.534 2.429 30 10 IEEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749754939 SXNCDNLESBQBGY-UHFFFAOYSA-N 427.578 2.285 30 10 IEEE COCCOCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1750097611 UIFIFVMYOJNWHN-RXVVDRJESA-N 431.468 2.286 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)CN2CCCC2)CC1 1760268305 PTTDPIJSALDZHX-UHFFFAOYSA-N 437.592 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(N)=O)C1 1760324327 JTDIRUOGWOTNKS-FIKGOQFSSA-N 441.532 2.159 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760494943 APMQWQBRSKNJFY-FQEVSTJZSA-N 436.560 2.309 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1760529491 IANYHRLVBRMDFT-MBSDFSHPSA-N 425.533 2.358 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1760533829 MYKMICHEQBYQMD-UHFFFAOYSA-N 449.559 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@@](=O)CC)C1 1760544854 IIBHPPYHZBIIRI-QLCIJSRNSA-N 442.545 2.144 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1(C(N)=O)CCOCC1 1767087712 FVXLNQYHGGRFRS-UHFFFAOYSA-N 445.527 2.054 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1767822447 CJQQPMSOZNVPFH-QHCPKHFHSA-N 437.548 2.219 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1770501195 GPWDULQWDIZYDB-HSZRJFAPSA-N 438.532 2.474 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC[C@@H]1C 1770657136 DVHLFURGMCRFTK-JXFKEZNVSA-N 438.532 2.116 30 10 IEEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1770918572 DIJOALNVEYOFMW-UHFFFAOYSA-N 446.577 2.007 30 10 IEEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)CC1 1850853745 YZTPTRMDJXCONX-LJQANCHMSA-N 435.576 2.176 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3c(F)ccc(C#N)c3F)CC2)cc1 1852444617 UIIUDNCSXZRRAX-UHFFFAOYSA-N 449.479 2.308 30 10 IEEE Cc1cc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)ccc1C(C)C 1853231930 KCKAJCRABVBBKR-SFHVURJKSA-N 432.528 2.482 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)C1 1855279153 UTTBZUGSULJOCB-HNNXBMFYSA-N 446.356 2.003 30 10 IEEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCC3)C2=O)C1 1855622969 MXSFGRGLTRERRX-MRXNPFEDSA-N 428.558 2.362 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC3CCC(F)(F)CC3)C2)CC1 1857043166 LMYNDBXHIBMIJG-INIZCTEOSA-N 431.505 2.142 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc4ccccc4c3)C2)CC1 1857055571 GFYWJDCFYVBSCP-FQEVSTJZSA-N 425.510 2.394 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1862569583 QAYOQTYTFLRZQE-NSPYISDASA-N 429.425 2.074 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862634154 UXLBBQUMCKVHBZ-ODXCJYRJSA-N 441.436 2.479 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 1862749418 XVXAEDXWVQNPMH-GOSISDBHSA-N 427.388 2.448 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862754508 MRRWQAKAFQCFAF-DIFFPNOSSA-N 427.369 2.462 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645802 SUBLSSNFFRMRRH-UHFFFAOYSA-N 427.509 2.429 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)cc1 1874219740 BMEKWEZTMKARDX-YDZHTSKRSA-N 441.513 2.464 30 10 IEEE CCOc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cc1 1890218694 FZRLLKRSPFKRFD-UHFFFAOYSA-N 427.589 2.276 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)ccc21 1890857835 JMDQKWOSHFIMRF-QGZVFWFLSA-N 435.546 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1962837246 KMIATITZPDAZLE-UXHICEINSA-N 428.533 2.249 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2124531326 CQHYCSKGHVOJOO-UHFFFAOYSA-N 447.345 2.244 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124533065 NTGJFBXCWHURFF-UHFFFAOYSA-N 445.369 2.381 30 10 IEEE C[C@@H]1COC[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N1C(=O)OC(C)(C)C 2141666138 UOQMDZPUCRIVLA-ZBFHGGJFSA-N 447.341 2.344 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C1 2141674583 NBLQYPVFALXKMB-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE C[C@H](CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2232264769 ZNFQEABWZCWAPK-WAIKUNEKSA-N 447.385 2.223 30 10 IEEE CC1(C)OB(c2occc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2255849639 BUOZEWPJFSAHLZ-UHFFFAOYSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267098475 ZLRKNEWESGJOKH-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127865 UUYNIWBOWJAKBA-LJQANCHMSA-N 438.381 2.313 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267192079 LWNHIHWJWMOFDN-RCDICMHDSA-N 446.357 2.086 30 10 IEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267510893 SUIMYFNNBATAGU-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268631969 FFMUYUSHTHQJTF-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2282696308 AYBTXKXZZDFBHQ-OAQYLSRUSA-N 449.404 2.498 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300341454 ZIVWVDAFJSTTSX-GXTWGEPZSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@](C(=O)O)(C1CC1)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2305243813 HMCPTXOTNQQTNZ-WMZHIEFXSA-N 428.533 2.454 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccn(Cc3ccccc3)n2)n1C 2337277006 OAASOKHMIQUNLQ-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CS(=O)(=O)C1(C#CC(=O)[C@H](O)c2scc(Br)c2Br)CC1 2367847497 NVYFXOKFBSZHHS-JTQLQIEISA-N 442.150 2.456 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)cc1 20292884 SFVFLAMFADAUNI-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)c1=O 101350943 GGAQDKSOFPWGJB-UHFFFAOYSA-N 441.513 2.352 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 409547241 CNFKSVURRZKOQS-IUODEOHRSA-N 432.340 2.369 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCC#Cc1cccc(C(F)(F)F)c1 440082916 VKQSSKXELLEMGE-NCOADZHNSA-N 438.402 2.192 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 478467102 GEMYQVPGRAENNN-UHFFFAOYSA-N 436.530 2.196 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c(OC)c1 497602503 GUROUCQUWYKRQB-YJBOKZPZSA-N 432.542 2.262 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 503133174 RUHHBOCFEZPCNQ-YADARESESA-N 442.560 2.262 30 10 IEEE Cc1ccc(CNC(=O)c2nnc(CN3CCN(c4ncccc4C#N)CC3)s2)cc1 506914475 BVDXKRKHNJGUON-UHFFFAOYSA-N 433.541 2.365 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)c1 510830232 YIHQMVUTNQWYNS-UHFFFAOYSA-N 436.487 2.430 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c(C(F)(F)F)c1 520555539 ATYXGQCJTBSHCF-ZDUSSCGKSA-N 429.395 2.339 30 10 IEEE N#CC1(NC(=O)CN2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCC1 530340279 JXBIQNIWFQARQI-UHFFFAOYSA-N 425.316 2.079 30 10 IEEE N#Cc1cccc(OC2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)c1 532556809 KCGDNUNEBLIVOQ-UHFFFAOYSA-N 438.553 2.448 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)NCCNS(=O)(=O)c2cccnc2)cc1 536977764 HSQWNWOPSGDLIQ-UHFFFAOYSA-N 435.509 2.398 30 10 IEEE C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546196428 UEEXXWZIBHGGMH-LBPRGKRZSA-N 448.346 2.244 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCN(c3ccccc3F)CC2)cc1 565733095 YCUQVBKCERPWFI-UHFFFAOYSA-N 430.505 2.370 30 10 IEEE COc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)ccc1C#N 575033976 OOBLFEYTPOZCNO-UHFFFAOYSA-N 429.498 2.290 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1C[C@@H]1CCCO1 603798156 JFSFAQNJMZAGIF-IBGZPJMESA-N 439.581 2.071 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccccc3F)sc(=Cc3ccoc3)c2=O)cn1 727417819 JXCAZQWOGZDQOT-UHFFFAOYSA-N 434.452 2.233 30 10 IEEE Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)NCC#N 731184461 FBHDAFYFALAHEB-INIZCTEOSA-N 440.525 2.415 30 10 IEEE CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc(C(C)C)nc21 732664112 DHRYTDCZAKWGRC-INIZCTEOSA-N 438.532 2.089 30 10 IEEE Cc1cc(NC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n(CCC#N)n1 746421955 KBHNNGCEZDITQE-KRWDZBQOSA-N 440.504 2.426 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(OCc2ccccn2)c(F)c1 746741014 CFDLYWCXTGEFDT-VXPUYCOJSA-N 425.420 2.448 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2ccc(Cl)cc2)CCOCC1 751144327 MUVVXCKSYANVNA-UHFFFAOYSA-N 433.917 2.201 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C[C@H]1CCCCO1 758117805 UFMZJQVZFRGDFF-CQSZACIVSA-N 448.317 2.407 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 766281914 QEWBIVSMFCYCML-UHFFFAOYSA-N 430.486 2.405 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCC(C)(C)C2)cn1 768417141 LGGSEHDMJQKRFB-IRXDYDNUSA-N 434.610 2.481 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 775404706 HJKFKYMWMWHFAF-XIRDDKMYSA-N 447.557 2.227 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)c12 778064361 VODWUOBDKSISMR-UHFFFAOYSA-N 426.498 2.341 30 10 IEEE COC(=O)CN1CCN(c2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 779916600 VHOIZGJMINTWRU-QHCPKHFHSA-N 444.532 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 780031384 KUQMWJAPQUTKKG-LJQANCHMSA-N 442.516 2.196 30 10 IEEE C[C@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCn1ccnn1)c1cccs1 784126034 NJUYTZJLLIRQET-AGBCCWJASA-N 432.575 2.460 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 784482466 PSNJTRQVBLCVLP-IPELMVKDSA-N 425.514 2.132 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cn2ccccc2n1 788409386 WBCFZQYUHFCGER-UHFFFAOYSA-N 444.473 2.100 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)n1 789246529 YDMMJNYXADFXFQ-JOCHJYFZSA-N 441.601 2.292 30 10 IEEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 790703581 YZSACBVLSOAUSK-LPHOPBHVSA-N 430.574 2.497 30 10 IEEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N/CCc2ccccn2)n1 807934797 ALQQEOPYPIQNQK-RSTPCFTMSA-N 449.540 2.282 30 10 IEEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1cccc(COc2ccccc2C#N)c1 811137326 ZDQJPKXPMGJQJQ-UHFFFAOYSA-N 430.482 2.396 30 10 IEEE C#CCN(c1nnc(CC23CC4CC(CC(C4)C2)C3)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812121103 PIQLFSPGKCTJBG-LIPMQLJGSA-N 446.617 2.310 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCc2cccnc2C#N)cc1 813165196 XSTBIULLTNQMEI-FQEVSTJZSA-N 427.482 2.442 30 10 IEEE CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 857679789 FHHJSNAPMBENOY-LLVKDONJSA-N 433.511 2.201 30 10 IEEE C[C@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 857995388 HRXWGCDGHSVFHX-NZETUCKYSA-N 427.482 2.028 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 858073238 HBOMSCCOTKBIOQ-LJQANCHMSA-N 440.525 2.179 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 918894746 RTZVFWAHMHSGCC-SNVBAGLBSA-N 430.408 2.321 30 10 IEEE CN(CC(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)nn1 919114670 KNHAPSJDDRTISL-UHFFFAOYSA-N 440.809 2.296 30 10 IEEE C=CC1(CC(=O)NC2(C(=O)OC)CCC(C(=O)OC)CC2)CN(C(=O)OC(C)(C)C)C1 1137558792 NVHYDCNJYBHPSQ-UHFFFAOYSA-N 438.521 2.191 30 10 IEEE CN1C[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1139926067 CHSSQHJVGIPCEC-LJQANCHMSA-N 442.516 2.006 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)NCCNc3ccc(C#N)cn3)CCC2)CC1 1141486719 AEUABGHSRWFUJF-UHFFFAOYSA-N 443.548 2.414 30 10 IEEE CNC(=O)c1cc(O[C@H]2CCCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)ccn1 1195686027 CRTWMHZBNOAEJM-FUHWJXTLSA-N 425.514 2.023 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CC1 1224096611 JYRXFNWCIMQZCV-QFIPXVFZSA-N 440.569 2.155 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1225937234 IILCADZREZQFDL-KSZLIROESA-N 439.520 2.298 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(Cc2ccccc2)CC1 1286398976 VMHHJGBZOJBPHZ-UHFFFAOYSA-N 444.583 2.499 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286549555 XXIXQEKMNZWUEQ-SXLOBPIMSA-N 441.580 2.200 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)C(=O)NCC2 1286769428 WDEDZPJCSVJJEB-UHFFFAOYSA-N 449.559 2.113 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1Cc2ccoc2CC(C)(C)C1 1286779531 JDPACJKQQUQIRL-MRXNPFEDSA-N 431.537 2.486 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSC(C)(C)C1 1286785848 KMJAQRNOGCOZCE-UHFFFAOYSA-N 439.545 2.228 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(CCOC)CC2)cc1 1286794348 DMGDCMPMJSZWOD-UHFFFAOYSA-N 435.532 2.117 30 10 IEEE C#C[C@H](C)N(C)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1297186318 IAFPAOZVUPRNJC-LBPRGKRZSA-N 426.311 2.229 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1COCCO1 1300657329 XDJMMOFXXGVMKT-KRWDZBQOSA-N 435.322 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCSC2)CC1 1300725064 FPRDZZCNZJFNNV-MJGOQNOKSA-N 431.606 2.281 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301248929 MIIRLTUHWMGCFT-UHFFFAOYSA-N 435.536 2.106 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302676442 CYHMGSFBBZNBIA-SAZZCXPWSA-N 446.577 2.378 30 10 IEEE O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252780 PPLXTARNZMVWQG-BKFJMODKSA-N 434.287 2.217 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCC[C@H](C)C2)CCOC1 1314137963 HJIFEAPKHLGRSP-YCRNBWNJSA-N 446.596 2.169 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(C#N)o2)CC1 1315058794 GAQWEXXVHBUQJN-UHFFFAOYSA-N 449.515 2.448 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)NCCN4CCCC4)cc3)CC2=O)cc1 1318420751 JPWXUCUHFXZEEX-HXUWFJFHSA-N 445.523 2.375 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CN(CC(C)C)CCO1 1358979611 RTUAEEUZLXQOQG-OFNKIYASSA-N 449.555 2.220 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1359010382 NWBPYSOBOCITNO-SFHVURJKSA-N 431.537 2.393 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCSC1 1359026953 PWOQXJFOMHMEJI-JOCHJYFZSA-N 430.574 2.428 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2OCCOC)CC1 1359037371 HBBPJIYLWIKBIL-UHFFFAOYSA-N 446.555 2.093 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 1359054515 YAXMUOXLKWPMNG-UHFFFAOYSA-N 426.590 2.255 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1359070848 WMPFHCXEBPTJAU-VQQMMKBISA-N 433.622 2.293 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cnn(C)n2)CC1 1359175038 XMAZRJVGRHIKDF-JOCHJYFZSA-N 429.569 2.482 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1359214458 DNXFHONJZDQPHQ-QGZVFWFLSA-N 440.552 2.465 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359222111 YBQQNICAKJFETH-UHFFFAOYSA-N 444.580 2.088 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1C 1359234015 ZRDMGLZIWMSVBZ-FUHWJXTLSA-N 433.578 2.490 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)C1 1359321759 LGFJHKAWDANCCM-KNQAVFIVSA-N 435.638 2.466 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCOCC2)C1 1359325612 JEWGKCGSQKDAFS-MOPGFXCFSA-N 445.539 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359331027 KSPCMVOZMSZHQO-ROUUACIJSA-N 431.562 2.112 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359461925 NLCUBUMZPODHCB-UXHICEINSA-N 438.532 2.118 30 10 IEEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1360398643 HKRADWMJVOYLGG-FQEVSTJZSA-N 438.532 2.069 30 10 IEEE N#CC1CCC(CNC(=O)c2ccc(I)cc2-n2cnnn2)CC1 1436034704 QXAUABIDNKKXCB-UHFFFAOYSA-N 436.257 2.327 30 10 IEEE CCc1ccc(C(=O)N(C)Cc2cc(C#N)cs2)cc1S(=O)(=O)N1CCOCC1 1439699952 ATBTYKNBARMZOS-UHFFFAOYSA-N 433.555 2.475 30 10 IEEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)cc2)[nH]1 1447871104 YLRHSVWGPMBOKX-XMMPIXPASA-N 430.464 2.062 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C#N)n3)c2)CC1 1461140567 BEJIQQLSENCWAP-UHFFFAOYSA-N 433.921 2.185 30 10 IEEE C#C[C@H](NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1ccc(Cl)cc1F 1467935452 SSLFKMVZSYBBRX-VBNZEHGJSA-N 428.855 2.239 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C1 1505017154 HXSFWPPVRHEYEW-OAQYLSRUSA-N 435.532 2.425 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1507535570 ZJRIPLRXXSBVKL-INIZCTEOSA-N 447.543 2.049 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1507589901 ABHUWRSSZZHGDT-SJORKVTESA-N 430.553 2.118 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507596052 AGQCHTRLEHJERE-UHFFFAOYSA-N 428.537 2.151 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCN(C(C)C)CC1 1507646178 QTQMJKQQXQFVRR-UHFFFAOYSA-N 449.555 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCN(CC)CC1 1507671121 CTFPMPRHKPUDHC-UHFFFAOYSA-N 439.633 2.124 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C(C)C)N1CCOCC1 1507704861 LHUZEWOKVRPZCU-LJQANCHMSA-N 446.983 2.436 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cnnn2)CC1 1507722101 ZFIXPQSBSJANAC-UHFFFAOYSA-N 446.346 2.084 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507942687 TXYKKUZUTLBEDG-MRXNPFEDSA-N 431.562 2.372 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507971564 OFTDVUOWXZTBLD-GOSISDBHSA-N 426.565 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508072363 JJUJAHQJVNSRLC-KRWDZBQOSA-N 435.532 2.058 30 10 IEEE CC(C)CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1509298947 RGPMQQKZKZIFJU-VZCXRCSSSA-N 438.536 2.220 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1514135823 CJIJYCZEUHZXNY-RBUKOAKNSA-N 429.546 2.399 30 10 IEEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1525870906 MNVXXVRZMDGSQA-MRXNPFEDSA-N 447.495 2.442 30 10 IEEE CCn1c(CCC(=O)N(C)c2ccc(C#N)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 1530621047 BQMZVXJBHFKQJX-UHFFFAOYSA-N 440.529 2.169 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1532558063 JPVIGZUEKJIOPU-BDXSIMOUSA-N 435.521 2.009 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1539312243 MCFUKVLYHJAWJJ-UHFFFAOYSA-N 440.511 2.053 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N(C)C 1539399430 LFXBYKGTVSWAPA-UHFFFAOYSA-N 440.367 2.333 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)CN2CCCC2)CC1 1539454456 OQGNZABJXSNPFG-JOCHJYFZSA-N 436.604 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)noc2C)CC1 1539476326 VXDWBNWFXUPKHM-UHFFFAOYSA-N 435.532 2.157 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@]1(OC(C)C)CCOC1 1539530680 LTQTVAKHEFMRPP-UTKZUKDTSA-N 445.593 2.155 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539612935 RVFGUTWERHWXFL-OLZOCXBDSA-N 425.287 2.308 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCC2 1540140013 NRCBQSNHKBHGPZ-UHFFFAOYSA-N 426.550 2.256 30 10 IEEE CS(=O)(=O)C[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 1545718994 YOKJNELTRDZTJK-HXUWFJFHSA-N 427.526 2.286 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2nnc(C)s2)CCOC1 1547894020 PFEIRMGCUATXGB-RTBURBONSA-N 435.529 2.165 30 10 IEEE Cn1nccc1C(=O)N1CC[C@@]2(CO)CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1 1548366678 DIKICXYOSDIGSK-QRWLVFNGSA-N 433.434 2.272 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[C@@H]2COCCO2)cc(OC)c1OC 1554733318 PZIODOXUOHXLOX-NVXWUHKLSA-N 445.520 2.372 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1555629228 OZJMCMOKXHEZPJ-PKOBYXMFSA-N 432.569 2.391 30 10 IEEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1557886705 VGGPYNXTIXGNTG-IBGZPJMESA-N 427.482 2.104 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCNC(=O)c3ccc(F)cc3)C2)C1 1565615220 QWCVOQMWKBVPJW-BNGSBABLSA-N 444.507 2.459 30 10 IEEE NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1566687374 ZZFRLWZQHFJJOR-CHIDQSDUSA-N 429.879 2.432 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cc1 1585214707 GCEKGEMYVPODRE-UHFFFAOYSA-N 427.482 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587652350 XQPACMMOQDGIPC-MJGOQNOKSA-N 431.548 2.223 30 10 IEEE CCc1noc(-c2ccc(C)c(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)n1 1587751842 FZHHMMCJQMKNNU-UHFFFAOYSA-N 425.470 2.396 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1588029027 CEEKMDJWLSORRP-GPUAKUCWSA-N 434.606 2.360 30 10 IEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1588034179 BLGOWBHZUKKRES-MSOLQXFVSA-N 438.594 2.209 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588049844 MDNCHZLREZGHCB-AEFFLSMTSA-N 444.557 2.258 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1588058821 CYYZVASCDHYASA-WOJBJXKFSA-N 448.564 2.450 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588064806 PIHLFKXPTZEASZ-SFTDATJTSA-N 441.601 2.160 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1SCCc2ccccc21 1588139765 RAYWEMOCEJZLOR-ICSRJNTNSA-N 440.594 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588258949 OBUAVISPOKPASK-MSOLQXFVSA-N 439.482 2.246 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCOc1ccc2c(c1)OCO2 1588637890 LETJDYFVTAJMBT-IBGZPJMESA-N 428.489 2.413 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(NC(C)=O)cc2)CC1 1588947194 MGTBPDCLHNRTJO-UHFFFAOYSA-N 436.560 2.449 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1593728709 BPHYVWHYDOBTOL-GOSISDBHSA-N 429.569 2.260 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1593757541 HQTILEUGKYXTJS-SFHVURJKSA-N 437.548 2.072 30 10 IEEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c2ccccc21 1596984883 OYNMOGJJNJISKT-AVRWGWEMSA-N 447.539 2.432 30 10 IEEE CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1613626658 GLLDKSYQKRMFFS-SJORKVTESA-N 435.536 2.085 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCCS1 1620018793 HPFHUFJDAKMHBS-NZSAHSFTSA-N 434.610 2.464 30 10 IEEE COC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]([C@H]2CCCO2)C1 1620605225 CTSIYGLAKNEBKL-LSTHTHJFSA-N 437.500 2.115 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)cc1 1622440824 KSMJACXVTFJAGX-UHFFFAOYSA-N 433.327 2.464 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1=O 1624822597 OYGHCWDUZRTJKK-LJQANCHMSA-N 437.500 2.197 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F)C(=O)OC 1629617116 GYZXOHRQEURDOK-KUHUBIRLSA-N 444.484 2.260 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)CC1 1630039548 YFOUWGILDHSHRZ-FUHWJXTLSA-N 434.558 2.153 30 10 IEEE CC(C)(NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 1632736435 VSDFQVRULOKWDC-UHFFFAOYSA-N 443.525 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CC[C@@](F)(C#N)C3)c2C(F)F)C1 1638649339 FTTKXXMUANGFBN-BBATYDOGSA-N 428.415 2.475 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 1639146422 KDOCTZXWGQRBQP-HSQYWUDLSA-N 441.553 2.210 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1640995416 MGUWJDODHODWEP-UHFFFAOYSA-N 446.554 2.389 30 10 IEEE C=CCCC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C(=O)OC 1644819264 FSPJEUMJTIFHON-HNNXBMFYSA-N 428.489 2.412 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2nc(C(F)(F)F)cc2C)s1 1645494631 AHPDDNRLWJBBSM-UHFFFAOYSA-N 436.481 2.095 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 1648057467 LMKNEHAPLMXRIT-JOCHJYFZSA-N 427.457 2.413 30 10 IEEE CN(CC(=O)NCCC1=CCCCC1)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1648416381 ZABZDDJOJSNFAM-HXUWFJFHSA-N 443.617 2.395 30 10 IEEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1648850568 VZBNCHLDILCSNN-HXUWFJFHSA-N 442.493 2.210 30 10 IEEE COc1ccc(Br)cc1[C@H]1NC(=O)N(CC(=O)N[C@](C)(C#N)C(C)C)C1=O 1651830823 DQGCKWWNIBNCAF-CRAIPNDOSA-N 437.294 2.105 30 10 IEEE C#CC[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1666954715 ZOSIFMDMHVFOIU-QGZVFWFLSA-N 436.578 2.477 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689982166 IYOGVBVJVJYGCQ-VGSWGCGISA-N 442.541 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690021524 YTSXYYNAKDBQRT-LJQANCHMSA-N 449.452 2.344 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCO 1690091005 GSJLLVXUPQEJHH-GOSISDBHSA-N 434.537 2.122 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)C(C)C)CC1 1690133760 SGBIZHGZYLDJQB-QHCPKHFHSA-N 427.549 2.028 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1690375330 HNXXHJZCQONCMI-CVEARBPZSA-N 439.582 2.250 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690510817 GCFIMKYCLNMHEE-AZUAARDMSA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690662978 IEKVPBTXHZSLGB-DLBZAZTESA-N 426.477 2.018 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1692665611 WHBQUBPXXUBBSZ-MRXNPFEDSA-N 449.515 2.451 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)CC1 1692848541 SFJHQWAELHJBKP-UHFFFAOYSA-N 427.463 2.354 30 10 IEEE CCN(CCCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1695741760 HNLKNHJKZMZLNS-UHFFFAOYSA-N 448.568 2.420 30 10 IEEE COCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1698017771 PZYZEXKOHVXLFZ-LSDHQDQOSA-N 449.515 2.046 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1c(C)noc1C 1705490101 BZTHEXIEBOJBRN-CQSZACIVSA-N 431.500 2.497 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705555195 CEHQXBSHCORHOO-UHFFFAOYSA-N 449.584 2.052 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1705570974 TWKMHWJHHQQQNI-AEFFLSMTSA-N 448.614 2.256 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1705806104 XCBBKSPOEZKPIY-SFHVURJKSA-N 436.582 2.097 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1705815052 JOGIWICXKGONFA-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1705856997 MZULOFOVEAXWHW-UZUQRXQVSA-N 438.532 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C)C1 1705934324 IQUPNVWNSQMEGH-MRXNPFEDSA-N 443.529 2.426 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1706820258 CBDVIDKPUAAAOT-QRWLVFNGSA-N 433.919 2.404 30 10 IEEE Cc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707907241 DAFFDQXCZNGFFR-CVTQAYBASA-N 441.561 2.058 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1709008901 ALBULUCHGAJQLI-XMMPIXPASA-N 446.559 2.425 30 10 IEEE COCc1nocc1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1712229177 CKIKZFJJWFUGHZ-UHFFFAOYSA-N 436.520 2.253 30 10 IEEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1712774333 GACUOICRQSWSRP-LJQANCHMSA-N 440.573 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1722276671 JHTXMZPKRANSLN-NWDGAFQWSA-N 445.467 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCS(=O)(=O)C1 1722292457 NOJSGZDJEAHLLQ-CVEARBPZSA-N 425.514 2.493 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(C)CCCO2)c1 1722309011 IQARVUOIFKLGRF-HSZRJFAPSA-N 431.500 2.360 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722322243 QDYIINKCQGCLNP-UHFFFAOYSA-N 428.562 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722375527 NMGBBLYMPYMHFX-MOPGFXCFSA-N 441.557 2.124 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1722467532 TXTMHCWQCZTWCM-VBKZILBWSA-N 434.566 2.214 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1722530151 OEMOKELKXTXFKH-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722697514 KEJRODAMNJKIAW-UHFFFAOYSA-N 449.359 2.358 30 10 IEEE CCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1729163071 RQAOSEKXPYTITI-INIZCTEOSA-N 436.310 2.385 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C[C@H](C)O1 1730607983 BOGRJKSLFPFZOC-JXFKEZNVSA-N 438.488 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740545404 AELLFELTHBWYIY-INIZCTEOSA-N 449.559 2.466 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1740590001 DXBNLLJMGOKMJA-GUDVDZBRSA-N 449.621 2.115 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740627923 UBWPOHIXIBNVNN-VGSWGCGISA-N 436.622 2.435 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1740628711 ZSAMDYRMPHVWBT-PKOBYXMFSA-N 448.976 2.305 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)C 1740640645 RSDHWLKYGFAARF-GOSISDBHSA-N 431.537 2.084 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCC(=O)N(C)C 1740676305 ZDPRTVIUHCTPOD-UHFFFAOYSA-N 428.512 2.064 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1740699706 QFJXVLLNVRPCJB-WJOKGBTCSA-N 441.601 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740702196 JMAKRXPGKUUNKC-PZJWPPBQSA-N 444.624 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(F)c2)CC1 1740705134 BMQRGICGWWSNAM-LJQANCHMSA-N 425.508 2.130 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC)C1 1740982978 ZDJTXSBCHKWVAI-ROUUACIJSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)CC1 1740990230 MVAGCMDPHKIYLR-UHFFFAOYSA-N 432.472 2.058 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1741139154 AXUXKEHDPMFWSA-KBPBESRZSA-N 441.504 2.356 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1743903178 LQXFFMKEQCLGOH-ORYQWCPZSA-N 436.532 2.065 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747596757 MTIBIYKIGWPPHS-HXUWFJFHSA-N 443.983 2.353 30 10 IEEE CNC(=O)CCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1748245406 TVAMPVXMQMWWIV-IBGZPJMESA-N 436.472 2.266 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1748816966 BOEGBGOKVWAQRK-HZPDHXFCSA-N 449.602 2.037 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1748823827 CAYNJWFAQGQKJS-RBUKOAKNSA-N 446.573 2.075 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748847341 SGHYENLMCOXFLR-PZJWPPBQSA-N 433.512 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCCC 1748892914 XXGFUAMPQJWLBQ-SFTDATJTSA-N 445.633 2.298 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1748902404 FFZDFSICAVJICS-WJOKGBTCSA-N 435.553 2.493 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1cccc(C)c1 1748962153 BCGICHFXLQYKQI-ICSRJNTNSA-N 430.574 2.378 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749390134 AVWFASIIXYLHNY-DLBZAZTESA-N 441.598 2.019 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750578766 CSLUZVRHAOZUDT-HSZRJFAPSA-N 432.532 2.340 30 10 IEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1750873284 HLEDRXKXLAIQDE-UHFFFAOYSA-N 447.547 2.192 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760141641 CMSCMPAKOGIRQP-UHFFFAOYSA-N 431.562 2.051 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@H]1CO 1760168778 PGEHLWADCVIOGR-IBGZPJMESA-N 425.533 2.023 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1760232474 GSICXDUXKOAMPW-HKBQPEDESA-N 438.557 2.046 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760236002 DTIUCZXINAJQLY-UHFFFAOYSA-N 426.521 2.017 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760293116 OIBTVZGFLMTFKI-OAQYLSRUSA-N 439.520 2.021 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760381008 VRJIFFGKHJBJNY-HKUYNNGSSA-N 443.939 2.348 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760412734 QETXZNYCNNDGAR-INIZCTEOSA-N 425.599 2.292 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCCCCC1 1761493415 HWELTTULEILSBC-QFBILLFUSA-N 438.598 2.104 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1761545088 PWEFSGDIQUVNSI-YZZKKUAISA-N 440.523 2.395 30 10 IEEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCCOC(F)F)C2 1761576909 VAKXCLSYAGLMQF-HXUWFJFHSA-N 432.431 2.477 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CCO1 1765634974 ZLUXJYHAMKZUGY-IBGZPJMESA-N 446.577 2.151 30 10 IEEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2)CC1 1853846395 BYMKSJSLHYTADO-QZTJIDSGSA-N 430.574 2.170 30 10 IEEE C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 1860595113 DCWOUZABEHLNIN-HNNXBMFYSA-N 430.464 2.420 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1862758857 FWCUSSFJUFFDJS-KRWDZBQOSA-N 443.368 2.169 30 10 IEEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870098075 LSQJGYYQMAHEPC-UHFFFAOYSA-N 439.457 2.448 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(OC)c2)cn1CCO 1870652609 AQDZCQZFWSTWCR-UHFFFAOYSA-N 427.501 2.041 30 10 IEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873561598 RMVRSWXWZRJZLQ-IRXDYDNUSA-N 426.565 2.397 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874344285 GEWMRBVLPCVKNW-CIAFOILYSA-N 426.458 2.267 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1OCCC 1874432674 RCGPREBAQWLCSJ-FSJBWODESA-N 432.550 2.204 30 10 IEEE Cc1nc(I)c(I)n1CC[C@@](C)(N)C#N 1928096931 CNUWZXAXUUCWBG-SECBINFHSA-N 430.031 2.032 30 10 IEEE C#CCOCCOCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2015733198 VZJLHTQQANNXKQ-QUCCMNQESA-N 434.533 2.268 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624633 ZZUBRJRYADIQIS-RHSMWYFYSA-N 434.342 2.223 30 10 IEEE COC(=O)c1sc(C2=C(N)N(c3ccc(CC(=O)OC(C)C)cc3)CC2=O)nc1C 2084270790 YUQKXPQHJXLPLK-UHFFFAOYSA-N 429.498 2.449 30 10 IEEE Cc1ncc(S(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)cc1C#N 2174785793 CMMFYWWSIOAFKJ-UHFFFAOYSA-N 426.498 2.341 30 10 IEEE Cc1c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc(C#CCO)c1Cl 2202928247 WDSXZWNPRLYSLO-UHFFFAOYSA-N 446.912 2.420 30 10 IEEE C#CC1CC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)(C(=O)O)C1 2247572754 ZZZBQELFADVKSV-CSPXAMEDSA-N 430.501 2.468 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248404602 NMAOWUIDORRMIE-AWEZNQCLSA-N 440.371 2.203 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254806378 QBWKYMZMJXFKRX-JOCHJYFZSA-N 433.358 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1O 2255365161 AGFAAIZOHQITMJ-ARFHVFGLSA-N 433.358 2.457 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H](C(=O)O)C1 2255596774 NMYLNARSHPEBBG-NRXISQOPSA-N 438.330 2.391 30 10 IEEE CN(CC(C)(C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255605821 SDMVNYNNTQBARW-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE Cc1nn(C)c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255633102 WKLIQRDVTURQOF-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)C2COC2)c1B1OC(C)(C)C(C)(C)O1 2255821388 DWVIXXUHXZEOPH-UHFFFAOYSA-N 425.338 2.323 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129326 ZRMLBGZEGTZRGR-IEBWSBKVSA-N 438.381 2.217 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267137083 KHTSMPUGMDZHMW-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)C[C@H]1C 2267156507 KPSMLLVNRZVRRV-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267265622 IIOJYKVOPABSDC-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267527378 GPPJVOXMKWEZDZ-RZLSGREXSA-N 446.357 2.131 30 10 IEEE Cn1nc(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267545219 GEBRUZZAHUAOML-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)CC1(C)OCCO1 2282869047 WLKFPMYZSXECMC-ZDUSSCGKSA-N 445.412 2.423 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 2331675389 MDOALYOTUMODSM-SFHVURJKSA-N 427.530 2.468 30 10 IEEE Cn1cc(C#C[C@H](NN)c2ccc(Br)cc2I)cn1 2340451209 VELIKEXXOMZQSV-ZDUSSCGKSA-N 431.075 2.343 30 10 IEEE C[C@@H](C#N)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 70135778 LLUQXKVMXGRPKP-JTQLQIEISA-N 437.157 2.430 30 10 IEEE COc1nc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc(N2CCOCC2)n1 254844733 PIQGWKMAZBGVPA-UHFFFAOYSA-N 425.405 2.331 30 10 IEEE Cc1cc(C#N)nc(-n2cnc(I)c2I)n1 304428936 QQAQOYHTLNPMRA-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 428373800 MWWLSOMLVOVGDH-OAHLLOKOSA-N 427.404 2.425 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)cc1 437458638 GKWSRHPWYXFGFW-UHFFFAOYSA-N 426.429 2.123 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 439754098 GTYZDZSGZXWQBO-MSOLQXFVSA-N 439.903 2.777 30 10 IEEE N#CC1CCC(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 441000854 OBYKEVLTZPIEPL-TVPLGVNVSA-N 434.562 2.273 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(CCn4cnc5ccccc5c4=O)no3)cc2C1=O 460523577 WMFQRKJWLVNTLI-UHFFFAOYSA-N 427.420 2.471 30 10 IEEE C=C(C)Cn1c(CCCC)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 460558958 KYCVWXGOQSAQIM-UHFFFAOYSA-N 432.594 2.432 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3Cc4ccccc4CN3C(=O)CC(C)C)CC2)c1C#N 472277290 ORHUCLFINCMZNZ-JOCHJYFZSA-N 448.571 2.248 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccccc3C)c2=O)nc1 478752829 APZXYDFQSDXYFI-SFHVURJKSA-N 445.544 2.410 30 10 IEEE COC(=O)CNC(=O)c1ccc(N2CCC(Oc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 505563937 KAPJMOMDUMXKIB-UHFFFAOYSA-N 438.440 2.417 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508883917 DJKDNUSPCQWPEW-ROUUACIJSA-N 436.516 2.230 30 10 IEEE CCc1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cnc2c1c(=O)n(C)c(=O)n2C 513778573 PQUKITYITQHBLU-HNNXBMFYSA-N 445.401 2.208 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)cs1 522109675 LPMLJKUJBTYDJL-UHFFFAOYSA-N 432.530 2.408 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 534861183 VZLDFWJKGOLHGV-KPOBHBOGSA-N 446.960 2.440 30 10 IEEE Cc1cnc([C@@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 541626072 ROVFQWFZMGOZIY-AWEZNQCLSA-N 433.559 2.143 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545504892 HWVOCRXQASBQLQ-UHFFFAOYSA-N 442.545 2.384 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@@H]2CCCCO2)cc1 550004300 WFVKFMNZGJDTOY-WMZHIEFXSA-N 436.516 2.014 30 10 IEEE COc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(OC)n3)c2=O)c1 564783086 DUOFMGYSEQDOQY-UHFFFAOYSA-N 447.516 2.183 30 10 IEEE CN1C(=O)COc2cc(N(CCCC#N)S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 586231763 PJBCYDOQLZVZTB-UHFFFAOYSA-N 430.442 2.449 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C#N)c(Cl)c3)c2=O)cn1 726576928 FAHOJPFOMJIAQN-UHFFFAOYSA-N 449.923 2.030 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@]2(C)CCOC2)C1=O 733075693 UVSDZVVMYFOLAV-DYESRHJHSA-N 436.553 2.252 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2ccco2)C1=O 735224230 PTVZKWLJKQEAFA-SFHVURJKSA-N 444.513 2.208 30 10 IEEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](c2ccc(F)cc2)O1 741733551 WMWZNGLYQRYATM-RDTXWAMCSA-N 431.489 2.243 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)CCC3=O)cc2C1=O 744459152 XFBCHJGONCRXPW-KRWDZBQOSA-N 428.441 2.204 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 746189846 BIHPWCRNHOENJU-NXDJFEHLSA-N 434.290 2.266 30 10 IEEE COc1c(F)cc(CC(=O)OCc2ccc(C#N)cc2OC(F)F)cc1S(N)(=O)=O 752541485 QATAEDIAAMRPPT-UHFFFAOYSA-N 444.387 2.241 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@H](C#N)C1 754383255 GIPZKQKOMCCDKK-HUUCEWRRSA-N 434.443 2.289 30 10 IEEE COC[C@](C)(NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470624 KKFAGZDQNFVYEC-DEOSSOPVSA-N 436.464 2.134 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 764965311 WAEVFDCICGDMLO-UHFFFAOYSA-N 444.532 2.253 30 10 IEEE COc1ccc(-c2ccncc2)cc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 774520932 MLTMQSNLDYFAMI-HXUWFJFHSA-N 444.516 2.186 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 780632405 ZBKNABMFCVCFFD-LJQANCHMSA-N 429.498 2.169 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@H]2CCOC2)C1=O)NC1CC1 784127081 UIARLVXOHDQYDF-UGSOOPFHSA-N 431.514 2.442 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1ncc(Br)s1 788881280 IJVQLZSACRHMHD-UHFFFAOYSA-N 444.332 2.468 30 10 IEEE Cc1nnc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)s1 790756184 DMRGKSCOEBMSHK-ZDUSSCGKSA-N 438.604 2.108 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 795043088 OHQJXQJXMFOPKU-DBVUQKKJSA-N 428.533 2.414 30 10 IEEE C[C@@H]1[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC(=O)N1Cc1ccccc1 798455053 AYRIQBINTVZKPW-QXCFHYIPSA-N 441.532 2.234 30 10 IEEE O=C(CN1C(=O)c2c(F)cccc2S1(=O)=O)NCC#Cc1cccc(C(F)(F)F)c1 799314983 WDUSOYPISQIXHW-UHFFFAOYSA-N 440.374 2.157 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 802563930 NHFVDEVXTSJCMB-UHFFFAOYSA-N 428.493 2.169 30 10 IEEE Cc1nn(-c2ccccn2)c(C)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2)c1=O 802722241 KUCVYOAZEXMZAP-UHFFFAOYSA-N 442.479 2.262 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(Cl)cc1 811962888 BVEXYOQURYATCX-LJQANCHMSA-N 432.933 2.194 30 10 IEEE NC(=O)c1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CCCCF)cc1 812221214 HWGBBIPKCMUWRR-HNNXBMFYSA-N 444.492 2.286 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2=O 888803922 ORXXFNKCGBGFCS-CWUYBBBNSA-N 446.548 2.350 30 10 IEEE C=CC(C)(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1128973473 DIQCJPUDEUMAQQ-UHFFFAOYSA-N 435.590 2.245 30 10 IEEE COc1ccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 1135752652 OEVPTZXDHBZUPM-YWEYNIOJSA-N 448.472 2.076 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cc3cc(F)ccc3[nH]c2=O)c(=O)c1C#N 1183325409 UUSDZONHMPVZEU-UHFFFAOYSA-N 431.221 2.464 30 10 IEEE COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1195384712 CDRPXLAWJJPGTC-XUVXKRRUSA-N 439.516 2.499 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)ccc1Br 1210085526 HZWQHXMGCJPYEX-HNNXBMFYSA-N 449.286 2.383 30 10 IEEE COCCCNC(=O)C1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1253867157 JBUMOORKPYMTMT-UHFFFAOYSA-N 427.549 2.101 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286358618 YOQIWMRRFSZDCP-FQEVSTJZSA-N 439.560 2.438 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1CCN(C(C)=O)CC1 1286362691 GRCNWKSIARCSLT-UHFFFAOYSA-N 433.354 2.374 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1286409999 VFQRNICFRGCVID-JOCHJYFZSA-N 425.540 2.373 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1286447112 JDXLAGCFEMGTMZ-ICSRJNTNSA-N 445.589 2.264 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCOC1 1286461831 YIAPWCKDNPTTPT-HSZRJFAPSA-N 438.507 2.070 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)COc2ccccc2OC)CC1 1286476666 CUHJIZATYOEDLX-LJQANCHMSA-N 447.543 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(N(C)C)CCSC2)CC1 1286490911 WTKKAAAUDYRFQR-HSZRJFAPSA-N 444.649 2.339 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286505276 ZJQOOAFMGDPKGJ-QUCCMNQESA-N 426.590 2.254 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CC(OCC)C2)CC1 1286653039 PZZNHKVCGDMIIS-UHFFFAOYSA-N 426.521 2.258 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(C)=O)CC1 1286709585 YLCPYHIJOZBYFM-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1286710176 ORQXLARJUJRVQI-UHFFFAOYSA-N 438.532 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286784819 USHOCVIMXBPMRM-IXFSTUDKSA-N 425.533 2.328 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1286805196 QTEXSBDHFUBLED-SJLPKXTDSA-N 436.507 2.411 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1286969601 QNZCOMSTGLIXTH-MJGOQNOKSA-N 425.537 2.048 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](c1ccc(F)cc1)N(C)C 1290864904 DJLIETZVDZQMFN-IIBYNOLFSA-N 449.538 2.405 30 10 IEEE CCCN(CC)CCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294505167 HTFRAYVQDIUXDI-UHFFFAOYSA-N 427.601 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1300695580 DMQZFJGSWCXWDJ-LJQANCHMSA-N 433.560 2.321 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1300711599 DQZUEHXVEDAZOW-AABGKKOBSA-N 444.624 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=C)c2ccccc2)CC1 1300719905 VABOIRKVSQSMLW-UHFFFAOYSA-N 429.528 2.358 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300996927 JYLJZRDNZRTYLS-UHFFFAOYSA-N 443.596 2.427 30 10 IEEE C=CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1301237937 YISXMPYLLNXKNE-SFHVURJKSA-N 449.581 2.317 30 10 IEEE COCCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1301539484 IOWWULIPUUHLTJ-IBGZPJMESA-N 425.537 2.192 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 1308007234 DSRNWMJWRFUUMS-UHFFFAOYSA-N 441.532 2.497 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1313963085 GHMZGDINFPLVKF-IBGZPJMESA-N 449.559 2.180 30 10 IEEE N#Cc1ccc(COC(=O)C2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@@H]23)nc1 1327648658 RUTGHXWWJWCDQF-VXAPCQRLSA-N 439.471 2.476 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2C[C@H]2CCOC2)CCN1C1CC1 1329603935 SINZZMMFZBBKMN-WIYYLYMNSA-N 431.544 2.494 30 10 IEEE C#CCCCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1358918113 LBNLHFLUQUUJMA-HSZRJFAPSA-N 439.564 2.159 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358956528 HDVMYWMYSUMWHG-ROUUACIJSA-N 449.621 2.067 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1358968919 CCCQTZZADLOYNZ-GLDPYIMESA-N 438.528 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(S(C)(=O)=O)CC1 1358971204 LTVJKERNUXSPMV-UHFFFAOYSA-N 433.537 2.452 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358993689 UWKQUCAKDBIVNQ-HSZRJFAPSA-N 447.583 2.250 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CC 1359027392 HUQRWZAIQZSMEF-HYFFOGBASA-N 435.569 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCSC(C)C)CC1 1359046036 BKUBWPSSBVQADK-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)N(C)C)CC1 1359182273 ZWKIJWLXPACXNN-UHFFFAOYSA-N 437.541 2.290 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1359254463 SGQWKDRNTSIVNQ-GCJKJVERSA-N 443.573 2.298 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)cc1 1359280656 ZTNUAFFDYFFJCJ-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE CC(C)=CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C#N)C1 1359608929 PRDZIVBUKPXTBK-INIZCTEOSA-N 429.550 2.323 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1438152889 KDHAANFJEBJWJO-CQSZACIVSA-N 443.363 2.392 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1452859875 LQWSIPLZYWXPCB-VQTJNVASSA-N 438.528 2.440 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC(C)(C)c3cccc(C#N)c3)CC2)c1 1461514580 MHGVBRCMHBTLRG-UHFFFAOYSA-N 440.569 2.370 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1462002484 WWHBGLRKASJSIF-PMACEKPBSA-N 445.564 2.376 30 10 IEEE Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1C#N 1462689006 VUCULXYEIGNNMQ-KRWDZBQOSA-N 442.497 2.492 30 10 IEEE C=CCC[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OCC 1463725163 FPTNNYDEIRZMRO-ZDUSSCGKSA-N 434.308 2.495 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1464488290 MWBPQDAAUSHJRQ-JYJNAYRXSA-N 431.961 2.412 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@H]3CSc4ccccc4O3)CC2)c1C#N 1478868240 WRHXNXIRYRLDHJ-INIZCTEOSA-N 426.546 2.375 30 10 IEEE CCN(CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501951832 HMIQEFSEAQYHLG-UHFFFAOYSA-N 448.579 2.004 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2nnc(C)s2)cc1 1504202193 DUINIJUPJXQTDX-QGZVFWFLSA-N 425.518 2.475 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)c1 1504323064 ULNAUGZBXVRTGT-WMZOPIPTSA-N 426.521 2.349 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCSC1 1507606302 HGXXBUNCGXHOEM-INIZCTEOSA-N 433.603 2.408 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1507651667 AUANRUVUIBGFOI-MOPGFXCFSA-N 441.532 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1507661367 SYDSHFIWSOAVDZ-ZJSXRUAMSA-N 441.576 2.040 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@]2(C)COCCO2)n1 1507717017 PTMOCAPJUIJXEE-QHCPKHFHSA-N 442.564 2.224 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCOCC1 1507844463 KJCTVZLFVJVPQY-UHFFFAOYSA-N 427.553 2.272 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507937076 OZDWSSCIQNXWSW-OAHLLOKOSA-N 430.940 2.495 30 10 IEEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507951765 WMDNYKTWIXEASP-UHFFFAOYSA-N 442.539 2.147 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1508086307 YRVWVTKTDFZISJ-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1518763322 BMSCIIJRMNOGSN-RBUKOAKNSA-N 444.511 2.018 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2=O)cc1Cl 1533681302 FAOOCOCFUZRCHV-DLBZAZTESA-N 428.920 2.472 30 10 IEEE C=C(C)Cn1c(SCC(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)nnc1-c1ccco1 1536785798 QPJLFDQRNCGOGX-GOOCMWNKSA-N 436.559 2.431 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1539147558 CEXAXNXMOJCXTE-CYBMUJFWSA-N 445.467 2.099 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539211225 JGULULLFRGGJLF-RTBURBONSA-N 445.589 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1539324071 PDBXXHUERLMATF-HXUWFJFHSA-N 435.528 2.161 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCNC(=O)c1occc1C 1539332644 YQECOEMSBNSREP-UHFFFAOYSA-N 430.512 2.448 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCC(OC)CC1 1539414816 ZAKIOTBQCWUTKF-HXUWFJFHSA-N 433.597 2.495 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539524890 PPOKITQUZWBICY-GOSISDBHSA-N 444.649 2.166 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539662358 SDVNAZNUMJAAQM-LJQANCHMSA-N 428.585 2.024 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1540179913 DBILNMYGFHAYSZ-XUZZJYLKSA-N 425.577 2.474 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1540185215 NVIAMPKWCYUHLT-IBGZPJMESA-N 444.561 2.474 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CCC2)C1 1540882568 KOKHZEQGFVIMKL-AZYRPFHASA-N 444.561 2.008 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccccc1 1540906931 GZZGHIJCMVGYIM-QGZVFWFLSA-N 431.562 2.199 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@H]1C 1545535293 DNUDGZLDRADDNK-RBUKOAKNSA-N 438.580 2.106 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1547743838 AHBASKRLWNWNPI-RBUKOAKNSA-N 449.559 2.036 30 10 IEEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C 1547836439 DPCCEOPTZRNABI-UXHICEINSA-N 440.548 2.219 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1cnn(CCOC)c1 1548197337 GTCPBVCFMQKUEZ-RTWAWAEBSA-N 435.532 2.449 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCc2cc(F)c(C#N)c(F)c2)C1 1556318468 NNXKGGVMYPFZGJ-HXUWFJFHSA-N 425.407 2.428 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)CC1 1556346679 HASLHQJORSJPPP-AQNXPRMDSA-N 447.576 2.169 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc(SCCN3CCCCC3)cc2)c(=O)nc1O 1557147130 BHXLBDXQDFQGPI-UHFFFAOYSA-N 427.530 2.427 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCc2ccc(CC#N)cc2)cc1 1557191190 MYQBXAAMXQIAQZ-RBBKRZOGSA-N 441.553 2.316 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)CC1 1557603084 JMOAGMFBDOFXNJ-UHFFFAOYSA-N 443.363 2.126 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 1557674814 FICQMQWVCDBOFA-IRXDYDNUSA-N 435.546 2.375 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1558299019 NDBOTEWPMYLFKR-CQSZACIVSA-N 433.509 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1588109405 DHRIZODWARSUPN-OALUTQOASA-N 430.516 2.199 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2CC2)c1 1588181410 SYVFYPXPJXEZLS-QGZVFWFLSA-N 425.558 2.277 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccncc2Cl)CC1 1588857361 MTAYPFYSRZPVNZ-UHFFFAOYSA-N 427.965 2.486 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1588974808 BUYHAQSGDGNHSY-LJQANCHMSA-N 449.621 2.337 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2CC)CC1 1594236949 KQSFRNKPZZSUNK-QGZVFWFLSA-N 446.621 2.489 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595477743 YTTBDWDKFCKRAU-AQNXPRMDSA-N 436.560 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCOCC2)C1 1595496931 LKSSMRALZGACJR-UHFFFAOYSA-N 426.477 2.162 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1596742016 UEODPNKNQRFJLM-CABCVRRESA-N 437.990 2.343 30 10 IEEE Cc1nc(=NC(=O)c2cccnc2I)n(-c2ccc(C#N)cc2)[nH]1 1610925238 SCULCEODPJIAOK-UHFFFAOYSA-N 430.209 2.121 30 10 IEEE N#Cc1cccc2c1CN(C(=O)c1cc(I)ccc1-n1cnnn1)C2 1611562158 KXLPKGJUEQJZDG-UHFFFAOYSA-N 442.220 2.295 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(F)(F)F)n1 1612501159 DIBSQKQOIRKZHW-UHFFFAOYSA-N 445.453 2.295 30 10 IEEE C#C[C@H]1CCCCN1C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1616929530 NXSHJYGQSWDYKC-HNNXBMFYSA-N 441.347 2.098 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1Br 1629580556 BZLGHGUBYKIDRC-UHFFFAOYSA-N 430.184 2.352 30 10 IEEE Cc1onc(CC(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1630517696 AIRBFGHAUAXXFF-UHFFFAOYSA-N 447.536 2.152 30 10 IEEE C#CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@H]1CCCc2ccccc21 1635884705 MUEPEBHMKFAMSX-VXKWHMMOSA-N 435.499 2.268 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)CCOc2cccc(I)c2)CC1 1636469328 LRJQFCXQKZOZSV-UHFFFAOYSA-N 442.253 2.365 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)CC1 1636475764 WKEMOFZGABMTFE-IRXDYDNUSA-N 446.598 2.182 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 1642202219 ATVUWZVPNJJSCT-UHFFFAOYSA-N 425.436 2.207 30 10 IEEE C=CCn1c(SCC(=O)NCC(=O)N=S(C)(C)=O)nnc1-c1ccc(Cl)cc1 1643304099 OMELMFRXJVVEEG-UHFFFAOYSA-N 441.966 2.247 30 10 IEEE N#Cc1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1F 1651280635 IVAJQCOCQAFSBF-UHFFFAOYSA-N 426.376 2.395 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3c3nn[nH]c3C(=O)OCC)n[nH]2)c1C 1651689029 UPCSANMHKNUHEN-INIZCTEOSA-N 438.492 2.348 30 10 IEEE CN(Cc1cnn(C)c1)C(=O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655767378 NIPCGYRDOKVWTJ-GHMZBOCLSA-N 434.331 2.481 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C(=O)OCC 1656680115 RBQACNPBRKJXMN-CQSZACIVSA-N 434.308 2.412 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3OCC(=O)N3CCOCC3)CC2)cc1 1669033532 BQARUJKHBHJMSX-UHFFFAOYSA-N 449.511 2.150 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1684360235 DBJGDUIXJZBVFH-XZOQPEGZSA-N 447.587 2.355 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1689851779 VILFQKIRMLBELY-MOPGFXCFSA-N 448.612 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCc2ccccc21 1690052439 IOHPCSWZDGONPF-RUZDIDTESA-N 428.540 2.437 30 10 IEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 1690120096 GHQVUEXJJUAECY-UHFFFAOYSA-N 433.560 2.344 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OCCOC)CCOCC2)CC1 1690395063 WSKVALKRXMVECV-UHFFFAOYSA-N 435.569 2.031 30 10 IEEE C=CCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1690496805 ZCCQAWXFTCBTAZ-OAQYLSRUSA-N 431.516 2.152 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1690577818 NQVYDRDFKRMMKG-IRXDYDNUSA-N 449.602 2.451 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1693187214 VMUWSFAEVUNERG-HUUCEWRRSA-N 428.518 2.419 30 10 IEEE C[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1693845528 BIKAEHXJXGYRNW-UHOSZYNNSA-N 438.532 2.103 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1696513082 UWXTTZIXMGNIAA-KKIUXKEOSA-N 442.589 2.326 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1697045352 NJLYXDNWGTVLRF-RBUKOAKNSA-N 425.489 2.012 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1698006265 QASYTIWZWSRYHO-VGSWGCGISA-N 427.505 2.149 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1698062806 HZYNHKKNNXOHSX-GUDVDZBRSA-N 434.585 2.384 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1705491591 FQZABAZLUQQJTR-GJZGRUSLSA-N 428.514 2.441 30 10 IEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705563045 POFNFCHDIFOJSS-SJLPKXTDSA-N 439.541 2.155 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705569742 GMOLZDBKTDUWFO-QGZVFWFLSA-N 433.578 2.401 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1705606918 KIPWFPULRVWCLY-UHFFFAOYSA-N 438.557 2.317 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2F)CC1 1705631723 OKHAHMRKEKWEAG-UHFFFAOYSA-N 430.915 2.110 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)SC)CC1 1705632296 LTYILWHRAJPIGI-INIZCTEOSA-N 447.008 2.368 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](OC)C(C)C)CC1 1705638345 HMTRLQSGJQNOFQ-IBGZPJMESA-N 435.532 2.020 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705663583 MRDGSDAKTIWTIC-UHFFFAOYSA-N 434.569 2.086 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1705710715 QDNXZHYIHFUODC-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCC(=O)N(C)C 1705864488 CVTBANCVOCBXDB-UHFFFAOYSA-N 428.512 2.211 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705902821 KDXKQGKTPDVHIS-BEFAXECRSA-N 447.486 2.330 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705903819 VRDSMNJRFKJHKX-ROUUACIJSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705908586 DUOLUTKLSLAVBN-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1705946952 VQLCQYADTVEJRM-IRXDYDNUSA-N 443.639 2.157 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nc2c(s1)CCCC2 1706603077 IFALZNTZOZXWRQ-FQEVSTJZSA-N 431.541 2.436 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1708331510 DVMFROFFPSPRHC-AVRDEDQJSA-N 436.520 2.323 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1708531297 BHRIJMFYIUFMQT-UNMCSNQZSA-N 442.656 2.386 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1Cc1ccc(C#N)o1 1708631103 FQRKAQCRWDRQLA-DLBZAZTESA-N 427.553 2.341 30 10 IEEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1711226623 GOMOPMCTLVQNPY-VGVBMJIYSA-N 446.552 2.297 30 10 IEEE COC(=O)N1CCC(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1711465355 BZEFVGOXEDLEDQ-QGZVFWFLSA-N 430.534 2.138 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1712167265 HRCOIHMNJLKFNG-IBGZPJMESA-N 441.511 2.139 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1712509496 XNDPLPFCEGITMK-JKSUJKDBSA-N 426.521 2.075 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1712510958 USTCOFQOMZHHGQ-KKSFZXQISA-N 431.562 2.378 30 10 IEEE C#CCCCCn1c(N(C)CCC(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722322205 KJFKPNCMPFYNJL-CALCHBBNSA-N 432.569 2.425 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722336290 KLYPXHYKNBOKJQ-IBGZPJMESA-N 426.565 2.262 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722363959 DDGSAVCWQMSKCO-MRXNPFEDSA-N 441.479 2.233 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1722370883 FQPHXXJVRWRHOP-HNNXBMFYSA-N 448.618 2.055 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1722422165 WTHHHORXEZOJQL-NRFANRHFSA-N 445.527 2.303 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1722437176 RDRMYFDHRHNPIM-LJQANCHMSA-N 446.596 2.184 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1722453485 UVPIXTOZAJPTHQ-GOSISDBHSA-N 427.578 2.227 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 1722454934 ONNCENHZKPRHRO-UHFFFAOYSA-N 434.363 2.400 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1722490558 APYCIJXJIQEQKF-YADHBBJMSA-N 444.624 2.386 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722536096 RBWSEUIQAPTJPP-IBGZPJMESA-N 440.548 2.048 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1722700193 ZOQCMTXGMQMFOS-UHFFFAOYSA-N 429.500 2.072 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1728519842 UNIDZCFYSRZRPZ-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1729727802 AWSYDDQHJBAWBR-VQTJNVASSA-N 437.548 2.339 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)CCC(C)C)CC1 1740704979 ZSPMWQFDUUCDPN-XMMPIXPASA-N 438.576 2.493 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740719511 GNMPNWHQAQBMCT-QFIPXVFZSA-N 425.558 2.461 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(C)C)N1CCOCC1 1740734332 YYZOJWWTCAUYMM-XUZZJYLKSA-N 439.608 2.489 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1740762052 BNXAQFAUHYHJJE-OFNKIYASSA-N 444.624 2.250 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740795060 MYJHJTYOOQESIL-OAQYLSRUSA-N 446.640 2.370 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1740932326 LSQDIYSGVXAJDL-LJQANCHMSA-N 445.545 2.005 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1741001167 MKPBNVQDKKMSRS-ZWKOTPCHSA-N 444.609 2.273 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1741113461 DGXZIXGYOVSALC-HXUWFJFHSA-N 437.548 2.084 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1741975874 HYBUWHRKLRTCSJ-RVHYNSKXSA-N 432.475 2.066 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)N(C)C)o1 1742202822 GUBSVSLSXDPDHO-UHFFFAOYSA-N 433.516 2.129 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1747706344 BXIJZPSROUUUEM-LJQANCHMSA-N 443.573 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1748652279 YUMGNNTVBPLRIB-AWEZNQCLSA-N 446.349 2.448 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1748751826 MZVQGLNMUMNZAA-VQTJNVASSA-N 428.558 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cccn(CC)c1=O 1748891976 XBDZGZWJASFWGI-UHFFFAOYSA-N 443.507 2.409 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2C)CC1 1748972829 RSQOCUVPJHPNJL-UHFFFAOYSA-N 429.528 2.346 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)C1 1749125806 YGEFFMUZRAUICM-IIBYNOLFSA-N 441.532 2.222 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749232101 CNKKTEWRYDVFAE-OALUTQOASA-N 425.533 2.185 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749282319 XKCXJKBUSQXIMQ-NQIIRXRSSA-N 439.988 2.230 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)CC1 1749286096 FGLVVIPLLCGAEH-ZDUSSCGKSA-N 439.611 2.242 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749434402 RHECNBHAKQDJMR-INIZCTEOSA-N 429.525 2.451 30 10 IEEE C=CCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1749439566 CIDPSZLRXUIYNB-DNVCBOLYSA-N 445.486 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(c2nccs2)CC1 1749738243 JYRBGNQUEJHLQZ-UHFFFAOYSA-N 436.607 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749738878 ZVDFQZOGHLYTPS-QUCCMNQESA-N 448.589 2.282 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1750071077 XMAIHWQQUOAGLX-CQSZACIVSA-N 428.456 2.301 30 10 IEEE CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1750572424 HELFEEJRVGZABE-UHFFFAOYSA-N 449.559 2.213 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC[C@@H](F)C1 1750954774 YDJPWTCNXOBONL-CZUORRHYSA-N 427.484 2.089 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCCN(C)C)cc1 1760095324 LPHQTRZMFMBHPU-IBGZPJMESA-N 438.576 2.351 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1760117658 RVQPKCDXCFLLSM-TXPKVOOTSA-N 430.530 2.216 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1760157108 DVGLUBXKZULNJE-UHFFFAOYSA-N 438.532 2.114 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(NC(C)=O)nc1 1760245242 WTDIILQKFQPTIR-UHFFFAOYSA-N 449.471 2.341 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)N1CCOCC1 1760247857 SENBUKAIVOBEMJ-NRFANRHFSA-N 426.565 2.091 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(C)=O)C1 1760275561 ADOSZOWQFTZUNZ-KRWDZBQOSA-N 428.518 2.325 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1760424198 ZRZSDKROTCYELS-QGZVFWFLSA-N 435.536 2.369 30 10 IEEE C=CCSCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760568491 KOPBAXNAKRQDSY-HXUWFJFHSA-N 439.582 2.126 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(C)C1CCCC1 1766400392 BPIQYEPDEWIFPF-UHFFFAOYSA-N 438.580 2.282 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1767511412 DIBZCVCZPFTANT-PKOBYXMFSA-N 429.521 2.486 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2c[nH]nc2C)cc1OC 1770086061 BCEGQFCDQDUPHG-SFHVURJKSA-N 437.504 2.355 30 10 IEEE COCCOCc1ccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1770129543 ZKXFXDYBOHVCDY-UHFFFAOYSA-N 434.500 2.333 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCC(O)CC1 1770427934 CMWFPOVQHGTYGM-SFHVURJKSA-N 426.565 2.320 30 10 IEEE N#Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@H](C(N)=O)C2)o1 1770740055 HUQOIQRDWXMIAC-ZDUSSCGKSA-N 428.399 2.371 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCCCCO)CC2)c1 1771534267 TYWYDOYVNSJKIX-LJQANCHMSA-N 425.537 2.276 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCCN2CCOCC2)CCO1 1771536360 QHYGZYKZBVYEFF-IBGZPJMESA-N 430.940 2.440 30 10 IEEE COc1ccc(CN2C[C@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1850896856 RCFODXNNUPJENF-OAQYLSRUSA-N 447.539 2.343 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CC2=O)cc1OC 1851305297 SVVDNAFZNKJKEK-GOSISDBHSA-N 434.496 2.277 30 10 IEEE N#Cc1ccc(C(=O)O[C@@H](COc2ccccc2)CN2CCN(c3ncccn3)CC2)nc1 1851596228 LKQLNOKRVSSQIZ-OAQYLSRUSA-N 444.495 2.170 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cccc(O)c2)cc1OC 1862571271 IPGXKIMKSJNCQU-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862757899 RXAODVSWPBXITI-GTNSWQLSSA-N 426.381 2.252 30 10 IEEE CCN1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868774437 HMOZURFFBDTHQP-GOSISDBHSA-N 431.606 2.084 30 10 IEEE N#Cc1c(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3)c2=O)sc2c1CCC2 1870103756 JQGCIRWPVQGGCY-UHFFFAOYSA-N 431.481 2.097 30 10 IEEE C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)CC1=O 1870149670 NGDHOWGFBZMTNI-GDBMZVCRSA-N 444.451 2.416 30 10 IEEE COc1cc(-n2nnc(C#N)c2NC(=O)c2ccc(OC(C)=O)cc2)cc(OC)c1OC 1870154395 WVPIGXQPMVNLSV-UHFFFAOYSA-N 437.412 2.342 30 10 IEEE Cc1ccc(-c2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n(C)n2)cc1 1889517138 YIEQEGYAOCIABP-UHFFFAOYSA-N 449.599 2.268 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C4CC4)[C@H]3c3cccnc3)CC2)c1 1892118043 OKLIOXPJXDPMTC-XZOQPEGZSA-N 447.564 2.450 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 1984912760 ITQHNMZUFFLQTF-FAGJFJLWSA-N 427.542 2.380 30 10 IEEE C=CCC1(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1993261562 HVLRTPWIISVHTC-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)c1I 2045315824 XSYXFZNRDFXIIK-ZSBIGDGJSA-N 443.094 2.189 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)CO2 2054336775 HWPHSXIYRXSALS-ZDUSSCGKSA-N 439.372 2.373 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2C(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2247836779 IENSWANRDYPHIN-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE CN(CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2247954190 ZAIQOFAFPBTMIV-UHFFFAOYSA-N 440.371 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248412449 KAFPSIJRYUMQSW-CYBMUJFWSA-N 437.371 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256018114 XCLNQHJTZMRDOQ-CVEARBPZSA-N 432.326 2.477 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256018115 XCLNQHJTZMRDOQ-HOTGVXAUSA-N 432.326 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256676508 PJLWIFZNHCABIQ-OAHLLOKOSA-N 440.321 2.096 30 10 IEEE C[C@H]1OC2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CC1(NC(=O)OC(C)(C)C)C2 2258961168 PGAOHFDOKURFJU-IYJORBIASA-N 434.342 2.342 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267016065 YDMMKCYAXWCUMT-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267090013 BEBVPSRSXGKXHC-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267137691 OQYZGSCAKIRGQW-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1NC(=O)OC(C)(C)C 2267138408 VBXWBNRARVISRN-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143883 ORKTUPIUDHPSQU-GASCZTMLSA-N 448.373 2.061 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267179643 SRIYGMULHRGNCV-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)n1 2267191186 YYHDIVYPEPAIIY-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)cc2)OC1(C)C 2267270197 JYJKAPUKMRFCLB-VWLOTQADSA-N 436.361 2.353 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267520958 PLJLTHZRDBYWNS-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE Cc1cccc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267600885 NIIUSHFYPLNEIQ-UONOGXRCSA-N 438.255 2.282 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2273783566 HFEXFIGFODLXJM-GOSISDBHSA-N 448.369 2.450 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)cc1 26250170 VHDGNMAQYBCPSU-UHFFFAOYSA-N 431.584 2.410 30 10 IEEE COc1ccccc1N1C(=NC(=O)c2ccc3c(c2)OCO3)S[C@@H]2CS(=O)(=O)C[C@H]21 254532197 VKCVQDZGGGLNHL-RDTXWAMCSA-N 446.506 2.339 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cn1 462079292 DVENDIPFFQTXPC-UHFFFAOYSA-N 444.543 2.468 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C 466785727 BGIZHNGVZTVDAV-DYESRHJHSA-N 430.512 2.456 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 472289319 BBZWCYCKPDZXQS-KNQAVFIVSA-N 442.541 2.260 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CN2CCCCCC2)C1 481436577 TUBUDQNJVWODQY-AZUAARDMSA-N 432.590 2.340 30 10 IEEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481979712 IQRGEHPFYKNANZ-KRWDZBQOSA-N 447.541 2.408 30 10 IEEE N#Cc1ccc(OCc2ccc(C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)o2)cc1 501838493 BKPAMCKMHHWQHW-UHFFFAOYSA-N 432.436 2.429 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)OC)c(C3CC3)n2)cc1 503532387 LUMPKYUVQLNVQA-UHFFFAOYSA-N 429.498 2.140 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 508885162 MYECAWJQTRUXFL-KRWDZBQOSA-N 441.561 2.109 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 509731289 WDXJVJMSENGHAZ-OAQYLSRUSA-N 427.549 2.054 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCN(c2ccccc2)C1=O 540467598 CPZNDMMYSJUULX-GOTSBHOMSA-N 449.530 2.272 30 10 IEEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C)c1=O 542842918 FLIZNQUVDFBBKP-UHFFFAOYSA-N 433.327 2.090 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 549914319 HHDNZZXHEAJQCD-TZIWHRDSSA-N 434.606 2.231 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(C)c3)c2=O)cn1 588891429 BYLXZVXKVOZBHN-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE COCCN1CCC[C@H]1CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609045627 YXRBNRFALBCAAY-KRWDZBQOSA-N 427.505 2.250 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 612193461 LKRGUYYHAXUJKO-CQSZACIVSA-N 432.492 2.485 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H](C)OC)c1 730144181 HUKHJOZZNJEZHU-QFBILLFUSA-N 430.574 2.092 30 10 IEEE COc1ccc(-c2nc(C)c(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)s2)cc1OC 731862528 GRIJATDWCVNJOO-HTXNQAPBSA-N 442.497 2.392 30 10 IEEE CN(CCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 733858432 XQBOJXIKQRRWLI-INIZCTEOSA-N 430.461 2.173 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)s1 736583315 NTIUWJZIWVNDPI-UHFFFAOYSA-N 436.562 2.062 30 10 IEEE COc1cccc(CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C2CCC(O)CC2)c1 737048794 GCXFDPLBYDSYSQ-DQRAZIAOSA-N 442.516 2.037 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 739153279 AETKCPINOSWWLJ-MRXNPFEDSA-N 447.495 2.027 30 10 IEEE C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746102538 AZFUUSFWVYVKCS-MSVBSMQLSA-N 439.541 2.418 30 10 IEEE COc1ccc(CNC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1C#N 747276045 UVEQEOBLEXHAGQ-UHFFFAOYSA-N 434.500 2.342 30 10 IEEE Cc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1S(=O)(=O)NCC#N 750049488 ACNIWIPABWNHBX-UHFFFAOYSA-N 437.525 2.067 30 10 IEEE N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 760361588 ZYGHZNLSNNAPDG-UHFFFAOYSA-N 439.490 2.313 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760773865 BCAOKLKJGQIUPI-UHFFFAOYSA-N 445.520 2.084 30 10 IEEE C=C(C)C[C@H](C)C(=O)OCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 767695740 MTGFHNFSRIHHPT-HNNXBMFYSA-N 428.489 2.078 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767744962 HXXMRNDCXQGLEH-HINCZHHPSA-N 435.521 2.046 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC(C)(C)O)C1=O 774275949 XPMPSTKDLBKFRY-QGZVFWFLSA-N 438.569 2.376 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@H]3CCCO[C@H]3C2(C)C)CC1 783592715 MFLFTMGEIYEOEY-HOOSLVGPSA-N 447.576 2.073 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(C#N)cc1 785407368 IYUMYEMGIUOIQY-IBGZPJMESA-N 444.465 2.119 30 10 IEEE C#CCN(C(=O)c1cc(I)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 793154039 OMFLYVXSVSNOBY-CYBMUJFWSA-N 431.295 2.171 30 10 IEEE COC[C@H](C)N=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1c(C)cnn1C 794838100 VLJPNLLGGZZVQM-HNNXBMFYSA-N 447.586 2.480 30 10 IEEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cn2)c1 797168283 UXHBJNOSLWTYBZ-UHFFFAOYSA-N 425.445 2.123 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 797685088 RKBNBHSPJHFJMH-LBPRGKRZSA-N 430.280 2.320 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1C#N 805275564 FDCPUFSARKBZQS-MRXNPFEDSA-N 444.438 2.180 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 805794836 ZAKPSZQOAXQMRX-HYBUGGRVSA-N 447.624 2.402 30 10 IEEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 812102801 WZNMJFMKIYQISG-HRAATJIYSA-N 434.541 2.363 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 849187577 ABCOIVOEDHQDOP-OWBHPGMISA-N 443.481 2.268 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 916415124 VEWZNGYZSKRMIL-UHFFFAOYSA-N 444.455 2.419 30 10 IEEE CCCCn1c(N)c(N(CCOC)C(=O)Cc2c(C)cc(C#N)cc2C)c(O)nc1=O 1124301271 SLYLPSIYZFBOIJ-UHFFFAOYSA-N 427.505 2.042 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1124738336 FUYBFBNUAWYLAG-XISXUPMFSA-N 444.513 2.496 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(I)c(F)cc2F)CC1 1128861142 DTYCUVJHAJZOQP-UHFFFAOYSA-N 434.180 2.488 30 10 IEEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2ncc3c(c2C#N)COCC3)c1 1129873892 GUAWZDYUWQGGMP-UHFFFAOYSA-N 428.514 2.496 30 10 IEEE Cn1ncc(I)c1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 1132690612 KHARFVGDUZMBKR-UHFFFAOYSA-N 433.209 2.481 30 10 IEEE C=C(C)C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OCC 1132934248 CBDKGJAXSBDDAX-ZDUSSCGKSA-N 425.279 2.189 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2I)cn1 1133744289 HTCUQORSZPAQFI-UHFFFAOYSA-N 442.238 2.182 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2C(=O)N(C)C)s1 1138077275 LTWNMSNSTWAEHR-UHFFFAOYSA-N 425.507 2.235 30 10 IEEE C#CCN(CC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1160170693 SHVOIXUATCAIHH-UHFFFAOYSA-N 428.938 2.490 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 1171724004 KDYJFFYVRYKTRH-XZOQPEGZSA-N 432.524 2.291 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1175917758 QCDOIDLZPRALDH-CHWSQXEVSA-N 429.468 2.455 30 10 IEEE C=CCC1(O)CCN(CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)CC1 1197928955 BAMDLDMUPICOFD-UHFFFAOYSA-N 435.590 2.345 30 10 IEEE N#CCc1ccccc1S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1208534102 GYURTDQJOZXICI-UHFFFAOYSA-N 433.555 2.406 30 10 IEEE C#CCSCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1222088261 MLKKIQAGLWZXQG-KRWDZBQOSA-N 440.610 2.242 30 10 IEEE C#C[C@@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 1226633738 XAHJOVWHTVSWBD-GOSISDBHSA-N 435.366 2.365 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1)C1CCOCC1 1253348735 TUVRCYLGJPLQFQ-GCJKJVERSA-N 427.545 2.299 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(S(C)(=O)=O)cc1 1286271332 RYUJVQHONUHATH-OAHLLOKOSA-N 431.562 2.106 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286325733 ZLIQDOFMYUODNO-LJQANCHMSA-N 438.532 2.205 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286387056 NGFOLEPIVZMUOJ-XLIONFOSSA-N 446.573 2.251 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1286399399 GDRDCIMVTUZACA-IRXDYDNUSA-N 430.505 2.065 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc(COC)n1 1286401667 TUCMKSVADQXIQU-OAQYLSRUSA-N 429.546 2.043 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(C)cc1 1286467412 PINCLQCJRRLJFO-UYAOXDASSA-N 430.574 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2ccncc2)CC1 1286473518 OIUIOWKNELBCPE-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286613065 PFVBAAXPTPXHIU-QHCPKHFHSA-N 438.532 2.284 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286690308 HHBMIJLSTBCEPS-UHFFFAOYSA-N 431.585 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COCC)C1 1286814767 GGNRREUKVWMVJM-GOSISDBHSA-N 429.546 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(CO)CC1 1286822213 AILAXVZGPDBWHF-UHFFFAOYSA-N 448.589 2.283 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286823926 RTEWZIGCRAXVEC-UHFFFAOYSA-N 448.553 2.282 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1286964705 DBGZETVZEQMXNU-ZDUSSCGKSA-N 441.508 2.116 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1291334293 WNKRYUPNSOHQCY-FRQCXROJSA-N 429.546 2.474 30 10 IEEE COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1293589577 KEDWQSXDQCHCLD-SFHVURJKSA-N 431.338 2.479 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 1300483932 NEYRMNXZPMRZOY-JXFKEZNVSA-N 428.558 2.497 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1300487187 HPHCSFAPDNNZAH-IBGZPJMESA-N 428.558 2.473 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1300601797 KULKPQGGESDBNR-INIZCTEOSA-N 428.562 2.380 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1300700019 KQFDONGRMLXENF-RBUKOAKNSA-N 446.596 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cnc(C)s2)CC1 1300721761 AFRIVXAQOQTSOS-GOSISDBHSA-N 428.562 2.299 30 10 IEEE C=C(Br)Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@]1(OC(C)C)CCOC1 1300861757 MKPJUMLBKSWQGB-SFHVURJKSA-N 444.374 2.188 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1301107970 KCAVCVQIOZEEBF-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301188787 NKHSDQLMYXLKOU-ROUUACIJSA-N 435.594 2.128 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)N[C@H](C)CC)CC2)cc1 1301518395 IVKSEZGZDCZKKG-GOSISDBHSA-N 426.565 2.236 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC2)C1 1302469618 LGCJOLFLOYYKEI-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cc1Br 1303936168 NWLRPKUJMHBORA-ZDUSSCGKSA-N 427.320 2.316 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H](C)O1 1306448485 FNGFPAUOJBIYDH-FRTACKCFSA-N 441.532 2.272 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)n1 1313135806 IIDRXYAIWKMOSB-SFHVURJKSA-N 447.898 2.272 30 10 IEEE CCN1CCN(CCCn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1313956120 AIYKWVDDSMJMQX-QFIPXVFZSA-N 437.592 2.318 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1314706741 HHIRBXRKBCQAQG-LJQANCHMSA-N 440.548 2.363 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1315869413 ITKVTLNACDIALC-OAQYLSRUSA-N 439.516 2.317 30 10 IEEE N#CCOc1cccc(NC(=O)c2ccc(I)cc2-n2cnnn2)c1 1350607684 XKCLNVMJDVAPRD-UHFFFAOYSA-N 446.208 2.422 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)c1 1358187148 VEOQTIITHVMNEF-GOSISDBHSA-N 441.281 2.291 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1358929884 KKJUUHKQSJTPRC-MSOLQXFVSA-N 444.557 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCc1ccco1 1358990066 ZUTYKOPCVDNQRF-UHFFFAOYSA-N 447.495 2.335 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1359013749 KMEBMECPMUGUNB-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1359028754 CVUPVAXIIJBBSD-FQEVSTJZSA-N 426.565 2.132 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359037211 ZRZDZNKCYBJNHA-MSOLQXFVSA-N 429.515 2.453 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1359039628 PHNNIYWINVTSHK-UHFFFAOYSA-N 425.581 2.290 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359051567 BHJWHMWLNYANAL-SFHVURJKSA-N 433.965 2.306 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359058712 NLKGOFYKIVVCKW-UHFFFAOYSA-N 448.600 2.364 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)CC(N)=O)nnc1[C@]1(OC(C)C)CCOC1 1359105151 KQQYTWXJWUEBJU-JXOCDABTSA-N 435.569 2.000 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1359129506 DKIZMVWZVYRQKF-KRWDZBQOSA-N 441.532 2.401 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C(=O)NC 1359133715 YDEKEJSYZVHRDA-VQIMIIECSA-N 429.521 2.202 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359301542 BEYWODQVRJTADG-GOSISDBHSA-N 442.951 2.026 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1359304118 MQMSMSGXOBHJOR-UHFFFAOYSA-N 443.548 2.303 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CC)C1 1359336556 UPKVMNCBCWKYQX-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE CC(C)(C)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359549627 VYICJMWAPKMKIO-LSDHQDQOSA-N 449.559 2.392 30 10 IEEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1436658972 FWWWTDBLRFWQOE-AWEZNQCLSA-N 431.341 2.255 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)CNS(=O)(=O)c3ccc(F)cc3)ccc21 1447791370 JBQCDMQVJXPPEG-UHFFFAOYSA-N 444.488 2.326 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1451179304 ODDBIHYBFBFXDD-UHFFFAOYSA-N 441.307 2.097 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC(O)(CC)CC)nnc12 1457974496 OERJOWYQKLSMDR-UHFFFAOYSA-N 429.546 2.332 30 10 IEEE C=CCn1cc(C(=O)N[C@H](CC(=O)OC)c2cccc(I)c2)nn1 1462260404 YGRSZJLJYUMNPK-CYBMUJFWSA-N 440.241 2.103 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)cc1 1470214616 OYMFULXZKSTNKA-UHFFFAOYSA-N 437.543 2.189 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)cn1 1470449338 PFJQECXZGLXTQN-UHFFFAOYSA-N 442.470 2.100 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1 1471822282 GJBSITNVPFVOJP-UHFFFAOYSA-N 431.470 2.467 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)C2)nc1 1471983715 GLVVKYVTMCIJRE-SFHVURJKSA-N 425.514 2.111 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)CC3(CC#N)CC3)CC2)cc1 1474883684 BVQWCJMMZOFQQZ-UHFFFAOYSA-N 425.576 2.062 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1478284984 SEMJJIZTYVCYCB-AWEZNQCLSA-N 448.385 2.355 30 10 IEEE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cn1 1501833611 ARCBIIICPPAUDY-UHFFFAOYSA-N 431.548 2.469 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507573792 JDQSPAIDNZNOJW-XMSQKQJNSA-N 444.536 2.392 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(-n2ccnc2C)nc1 1507711940 MSUPBZJGKQNSED-UHFFFAOYSA-N 442.527 2.287 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOC2CCCCCC2)CC1 1507719183 LLZWRDVZWPTTPW-XMMPIXPASA-N 445.608 2.425 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(CC)C2)CC1 1507722634 CJRIGHYILHTYHS-IBGZPJMESA-N 438.576 2.059 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1508090759 JUGYLINBTGXNMA-PRULCUDISA-N 431.562 2.019 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(OC)ccc2OC)C1 1508129860 FQOOZXXNUKSPFP-LJQANCHMSA-N 441.532 2.247 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1510105016 DIJGMFGCMPTCMD-RDJZCZTQSA-N 448.930 2.435 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cc2ccccc2o1 1510189104 FTSGWRUDHNENKI-JLTOFOAXSA-N 446.508 2.319 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 1517944754 GGNUSTXTERTLDV-CQSZACIVSA-N 442.907 2.305 30 10 IEEE C=CCN(C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1)[C@H](Cc1ccccc1)C(=O)OCC 1522959927 RAGOXYWWYSJGOV-UXHICEINSA-N 430.545 2.449 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)cc1 1526380275 QYBDGNZNJNXJDR-KRWDZBQOSA-N 438.480 2.394 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539139690 MHFFLGWXKYOPKQ-OAQYLSRUSA-N 432.521 2.425 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539206884 WLYYOAZDHJBHAA-QFIPXVFZSA-N 441.601 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCN(C(C)C)CC1 1539399414 KNUUVCYIGZOMPM-UHFFFAOYSA-N 441.576 2.275 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(OC)C2CC2)CC1 1539483266 UXRHUKVVBXOFHU-DEOSSOPVSA-N 436.560 2.045 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1540523173 XIYJFYDOUFZIIW-SFHVURJKSA-N 441.532 2.018 30 10 IEEE CN(C(=O)[C@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1CC1 1540575052 HEOIKZVUIVWSNM-MMZUESARSA-N 448.589 2.296 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)(C)C)C1 1540883601 CBDNHEUFILBHJO-JPYJTQIMSA-N 449.596 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[C@@H](F)C1 1540899894 DIQXPAOVKJFEGQ-ZBFHGGJFSA-N 436.509 2.111 30 10 IEEE CC(C)NC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1541703810 ZPQAAUONEFJTQU-LRAJWGHMSA-N 449.531 2.015 30 10 IEEE CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556289497 YVNJMVHVCCUZDT-IBGZPJMESA-N 432.473 2.369 30 10 IEEE Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 1556782814 SWNLIYHZDSJXPZ-XJKSGUPXSA-N 438.322 2.106 30 10 IEEE C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1557243796 XZAIYYSNPDPOGJ-VDGAXYAQSA-N 430.549 2.459 30 10 IEEE N#Cc1cccc([C@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C(F)(F)F)c1 1558062563 NFXPWCZXJKNQTB-IBGZPJMESA-N 446.433 2.197 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3cc(C(F)(F)F)ccc3Br)C2)c(=O)nc1O 1558806433 OZYYOTNXJKLKMT-UHFFFAOYSA-N 443.179 2.299 30 10 IEEE COCCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1570083524 YBPZWSHHHDHYCX-UHFFFAOYSA-N 427.832 2.026 30 10 IEEE C[C@H]1C(=O)N(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C(=O)N1C 1585139162 ZWRGWUCULNXIOF-ZDUSSCGKSA-N 437.481 2.216 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NCCC)CC1 1587879064 NTDQBPIUPMOQMP-UHFFFAOYSA-N 442.589 2.426 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1588020107 DZLYFCFKBAJQMN-OALUTQOASA-N 446.596 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588155091 NUHZAKQDHZCJLO-QGZVFWFLSA-N 437.491 2.266 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1589559779 UQACYCBHXHOQPZ-UTKZUKDTSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1593770347 ZMAFYWGDJDXVKP-AVRDEDQJSA-N 436.553 2.301 30 10 IEEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1595038175 RPFQYHXRHZUTEQ-LJQANCHMSA-N 426.546 2.396 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1611307405 CBCZVKLLOMFDIQ-DOTOQJQBSA-N 434.541 2.170 30 10 IEEE COc1ccc(-c2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n(CCO)n2)cc1 1611392411 ACCRGJDBDJQLSX-SFHVURJKSA-N 445.479 2.414 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)N(C)C)c2ccccc2c1=O 1615897831 DABFHIOYMOPMQQ-OYHNWAKOSA-N 438.511 2.067 30 10 IEEE CCN(CC)CC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1617487886 RRWTWBUFZXFCNQ-LJQANCHMSA-N 428.558 2.315 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)C[C@@H]1C 1618905598 UDULHFUQJBPAHW-INIZCTEOSA-N 440.504 2.042 30 10 IEEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1620039689 HJAFQCJFZCFHFT-IBGZPJMESA-N 438.532 2.433 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H](C)O1 1620318687 TZZFGMIMLGMUON-JTDSTZFVSA-N 438.532 2.257 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)CNc1ccc(C#N)cn1 1624198501 FEAANRBQBLOMEU-CQSZACIVSA-N 433.306 2.104 30 10 IEEE N#Cc1cn(CC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c(=O)nc1O 1625865607 ALQJAEZCGJCALR-GOSISDBHSA-N 439.269 2.489 30 10 IEEE COc1ccnc(N2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n1 1626269145 FKGSDZAHLOLSJB-INIZCTEOSA-N 432.525 2.111 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCS(=O)(=O)CC1CC1 1629901565 WUIJVXWIRQHJIR-IBGZPJMESA-N 447.557 2.334 30 10 IEEE N#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Br)c1 1630699460 YLDZICAKCTZDIR-QGZVFWFLSA-N 437.315 2.139 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)s1 1632605917 KLDQTLCCOOUHHH-GOSISDBHSA-N 448.566 2.489 30 10 IEEE C[C@H]1CN=C(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)S1 1633587458 QCHIYGPJARURKA-ZDUSSCGKSA-N 448.390 2.392 30 10 IEEE Cn1c(C(=O)NCCn2cnc(C#N)n2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 1634936107 XMGOLOVGVWWLKP-MRXNPFEDSA-N 427.509 2.380 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 1646046460 DQYXNCFDJGICJK-NVXWUHKLSA-N 437.562 2.384 30 10 IEEE CSCC[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1646250575 HGVWUSCJCLNXME-IJEWVQPXSA-N 446.598 2.384 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)c1 1647941110 ACXFSYORJONPTK-JOCHJYFZSA-N 425.510 2.014 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCC[C@](C#N)(c4ccccn4)C3)OC2=O)C1 1647980489 AHAGRIXUDBYAFS-HTAPYJJXSA-N 426.517 2.491 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 1648154378 YQNHZDIFRMOAIA-PKTISDMASA-N 448.317 2.176 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[C@H]1C(F)(F)F 1648351703 NSQKFNIMKJYJLU-HUUCEWRRSA-N 431.459 2.420 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](N2CCC(C(=O)NCCCN3CCCCC3)CC2)C1=O 1649399376 PRFTUDZJQXKSKD-HXUWFJFHSA-N 443.617 2.429 30 10 IEEE Cc1ccc(C(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)cc1S(=O)(=O)NCC#N 1652076510 ZMTWTFNIQLESCG-GOSISDBHSA-N 426.498 2.390 30 10 IEEE N#C[C@@]12CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1655884673 WXDIKVOFEXEFMI-UFBFGSQYSA-N 426.323 2.018 30 10 IEEE C#C[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(I)c(C(=O)OC)c2)C1 1670015598 QDUCXZUKOWCFRA-GFCCVEGCSA-N 447.294 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)C2 1671268155 HYPKUUYCOQROSH-MRXNPFEDSA-N 427.567 2.406 30 10 IEEE COc1ncc(NC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C#N 1672970865 DTZXDAZFYISDNS-UHFFFAOYSA-N 429.502 2.458 30 10 IEEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1675700641 DWKVHCYCWMKGOI-INIZCTEOSA-N 441.557 2.496 30 10 IEEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)N1CC[C@]2(C1)CC(F)(F)C2(F)F 1676177755 BTXVYZMTTZIGBD-GFCCVEGCSA-N 432.296 2.087 30 10 IEEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCC1(C#N)CCCCC1 1682791348 MWYWBMLJZVPXPN-LJQANCHMSA-N 430.549 2.348 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1684315774 FSSSNTNEDPGHAL-DLBZAZTESA-N 428.537 2.478 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2Cl)C1 1686054722 CGNVXOILXZBMRF-MAZHCROVSA-N 435.912 2.315 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1689829254 WTEBRXPLQKVXCI-ZJBJCVSYSA-N 446.573 2.042 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NCc1ccccc1 1689947218 BWVLFMDYLDAPMA-HSZRJFAPSA-N 425.533 2.095 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1689947639 JTPKHHTUPKWAFZ-DSGGYQJVSA-N 438.463 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1C1OCCO1 1689998084 BEANXUFWWARACO-UHFFFAOYSA-N 435.528 2.363 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)nc1 1690018111 UOKWNUYJTVSRLZ-UHFFFAOYSA-N 426.528 2.277 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1690482061 YAKKTMLVRWTADS-UHFFFAOYSA-N 437.504 2.047 30 10 IEEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690488737 SPAHCHODNUTUMC-UHFFFAOYSA-N 442.589 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1690669068 SJMRYGONLIOYIW-LJQANCHMSA-N 432.532 2.143 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 1690671888 BHWFNFSLRPQOGI-DLBZAZTESA-N 448.568 2.125 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690676075 OZWUFOONRGDVHN-QUCCMNQESA-N 425.533 2.473 30 10 IEEE CN(c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1696648420 MFUUCSDSXCZSKA-FMQUCBEESA-N 426.452 2.121 30 10 IEEE CN(Cc1ccco1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1696705296 ALENPSHMOAYVMW-KDDVOAFDSA-N 426.477 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1705480507 VZMYGIJZOUAUNJ-GAJHUEQPSA-N 425.533 2.186 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@H]1CCCO1 1705544677 ABWGMJQEEQLKAE-GOSISDBHSA-N 432.546 2.004 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1705611988 VRJKSFRRBJEKFW-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 1705632492 RSIKKSUTRHQYLZ-UHFFFAOYSA-N 433.560 2.318 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1705641196 WGKWGFFIWPBYBO-WIYYLYMNSA-N 426.590 2.370 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705709754 SBOJUCBGODKIBU-CNNODRBYSA-N 433.597 2.485 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705902824 KDXKQGKTPDVHIS-KXBFYZLASA-N 447.486 2.330 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)[C@@H](C)C1 1705988433 VGAMXHNKYVAPQN-KRWDZBQOSA-N 449.559 2.180 30 10 IEEE CC(C)NC(=O)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1706648647 PMMZWMLNBHJZFG-OAGGEKHMSA-N 433.557 2.312 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNc2nccc(C(F)(F)F)n2)o1 1707384535 AOSBHMXSTUVVBS-CYBMUJFWSA-N 448.409 2.496 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCN2CCOCC2)n1 1707827677 AHBNDYWQRJKVKP-HSZRJFAPSA-N 440.596 2.382 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC(=O)N(C)C 1708531221 ADGLQBJFCOSAID-IAGOWNOFSA-N 439.568 2.037 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1711180929 QYUTZVBTMYITKD-IBGZPJMESA-N 430.516 2.200 30 10 IEEE Cn1cc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CCO2)cn1 1711253567 UAPQRXNKHVSFOH-GOSISDBHSA-N 443.458 2.410 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1712794375 URRHFVOGOYQFCI-PBHICJAKSA-N 441.561 2.383 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2noc(CC)n2)c1 1722308971 IGMXQDCBSFKSEV-KRWDZBQOSA-N 449.515 2.026 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722361805 PJFOJGHNPJOSLG-LJQANCHMSA-N 441.532 2.292 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccccn2)CC1 1722446372 UJCRCUQNIDFQGW-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCOCC2)CC1 1722568470 NSYIFMCUKXTEPJ-UHFFFAOYSA-N 431.562 2.358 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722609091 RYZDMJRXHXCFOG-QGZVFWFLSA-N 444.923 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722732271 XFISUGRDSBQBRR-SFHVURJKSA-N 448.536 2.155 30 10 IEEE CC(C)OCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1723714910 YZHJPQDBBOGCNH-SFHVURJKSA-N 449.563 2.475 30 10 IEEE Cc1ccc(OCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1724447531 CADWTFKXNDGGEJ-NFBKMPQASA-N 441.532 2.435 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)cs2)CC1 1728675374 CPXZHZKZMZCDDI-UHFFFAOYSA-N 436.545 2.482 30 10 IEEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CC1 1731019716 CEHZMWMYIBSTAM-HKBQPEDESA-N 440.573 2.210 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCSC2)C1 1731179477 CHOHVHQNPYRYJP-JKSUJKDBSA-N 441.330 2.346 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740578338 HRGHJOXXKNSDDX-QFIPXVFZSA-N 433.553 2.401 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC)[C@H]1CCS(=O)(=O)C1 1740619408 ILNOGBXDLRDAML-KRWDZBQOSA-N 430.530 2.143 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740691781 DCHNKGIYQSZAAJ-HOYKHHGWSA-N 439.560 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)COc2ccccc2OC)CC1 1740703368 PPHYSDFKAHDEBK-QGZVFWFLSA-N 425.533 2.276 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)CC1 1740759443 IUKKOLRIAOHEOL-QVKFZJNVSA-N 431.487 2.455 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1740769444 LLWLKPVGXALUFH-UHFFFAOYSA-N 443.577 2.380 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 1740889782 QWBHLXJQHKJWHJ-ZDUSSCGKSA-N 437.342 2.330 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1740958269 MLDFVJNXHGHXPL-UHFFFAOYSA-N 440.552 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2ccco2)C1 1740984191 XTAFLZLKUBSTSI-QGZVFWFLSA-N 442.545 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740990776 FQDSHKYHANTJJT-UHFFFAOYSA-N 449.621 2.375 30 10 IEEE Cc1c(CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1742064480 DQTKECRPSVHKHR-VXPUYCOJSA-N 440.552 2.071 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C 1743196593 DHGFXZNFBBKDFX-APWZRJJASA-N 433.516 2.380 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1743418151 COJBRUHXKYBPEG-QGZVFWFLSA-N 436.520 2.148 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CC=CCC1 1747205090 GLDDRRIBCMUJRZ-UHFFFAOYSA-N 435.576 2.270 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCOCC(=C)C)c1 1748692995 UZWNXAXQEOTSGI-UHFFFAOYSA-N 433.516 2.328 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(C)(C)O)c2)CC1 1748993981 SQDRTDHGRQDVQX-UHFFFAOYSA-N 430.556 2.295 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1749038320 JWQXTQONEQBHCB-ZDUSSCGKSA-N 445.408 2.036 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN1CCOC(C)(C)C1 1749073295 KLERLNJJYPSJDK-HSZRJFAPSA-N 425.581 2.243 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749115697 UVMJFINSXDNYIK-QRVBRYPASA-N 446.596 2.139 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1749664208 YSVRHRFIVKNLHI-UHFFFAOYSA-N 425.581 2.287 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1750204429 BOWGCHUFEZDREN-LJQANCHMSA-N 429.546 2.114 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(C)C)nc1 1750986121 AMAHLGKHGJRVOW-UHFFFAOYSA-N 432.532 2.287 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1760103558 HUKHLRVUUZLOHZ-CQSZACIVSA-N 432.322 2.024 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1760158334 JGXSJDXHSSNQDR-UHFFFAOYSA-N 426.496 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nncn1C 1760252632 HTCDNWWJRCARNX-UHFFFAOYSA-N 431.953 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)C(C)(C)C)CC1 1760272010 VMHVAEVGWRMYNI-HXUWFJFHSA-N 438.576 2.291 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760528219 WCVQUSDQFQFDLS-QZTJIDSGSA-N 445.589 2.421 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1765452943 FXZVTHBLVBTURL-UXHICEINSA-N 442.589 2.314 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)C1 1766159602 FRQYTOXRYBWRTA-UHFFFAOYSA-N 439.564 2.099 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCc1nnc2n1CCCCC2 1769976572 AXDWPSZDYSDPNV-QGZVFWFLSA-N 442.568 2.303 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(=O)NC(C)C 1770178518 CADLWNJZHLDSAK-FPOVZHCZSA-N 440.548 2.425 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1770932799 AGGCHMSXULJLSR-AVRDEDQJSA-N 427.505 2.007 30 10 IEEE COCCOc1ccccc1Cn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1771235443 LIGOBUWSDOHQTM-UHFFFAOYSA-N 433.516 2.253 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCSCCCO)c1 1771530222 FCILEDVRPSEVBW-MOPGFXCFSA-N 440.573 2.180 30 10 IEEE CN1CCN(C(=O)CCC(=O)Nc2c(C#N)cnn2-c2cccc(C(F)(F)F)c2)CC1 1851177928 LFQRLOFPEGSIPG-UHFFFAOYSA-N 434.422 2.255 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(F)c1C#N 1851281218 MBMUXSZWWBDURH-UHFFFAOYSA-N 433.461 2.369 30 10 IEEE C#CCN(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)[C@@H]1CCc2ccccc21 1851654585 ZURFKRVYZSKFCT-RPWUZVMVSA-N 436.577 2.477 30 10 IEEE C[C@@H]1CC(=NC(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)NN1c1ccc(Cl)cn1 1851876234 ZSKONMYXYDQAPV-CQSZACIVSA-N 447.948 2.312 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)C1 1852148485 RPOQWDDWLJUIKH-TZIWHRDSSA-N 437.521 2.291 30 10 IEEE CC(=O)N1[C@@H](C(=O)NCc2ccc(C#N)c(F)c2)CSC12CCC1(CC2)OCCO1 1852279925 FCDRQGFXTPXUEL-GOSISDBHSA-N 433.505 2.291 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Cl 1852300057 GWVLIHVHSJQESM-CYBMUJFWSA-N 430.983 2.219 30 10 IEEE N#Cc1cc(Cl)c2nc(C(=O)N3CCC(n4cnc5ncccc5c4=O)CC3)cn2c1 1852341119 UDZLLLYFONGVTF-UHFFFAOYSA-N 433.859 2.442 30 10 IEEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)c1C 1852539387 AYBULBSDQJFPBD-KRWDZBQOSA-N 431.500 2.310 30 10 IEEE COc1cc(CCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)ccc1F 1856258663 DGEMUTUEFJKBSB-INIZCTEOSA-N 434.445 2.186 30 10 IEEE COc1ccccc1/C=N/n1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(N)=O 1874238000 MKSUFTCVKVEUAA-FSJBWODESA-N 441.513 2.354 30 10 IEEE COc1ccccc1OCc1nnc(SCCO)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874291652 PANFUUNPFJJXJO-RGVLZGJSSA-N 445.457 2.446 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)CC1 1891114734 KAHQKBMDIAHFEG-UHFFFAOYSA-N 434.525 2.366 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)c2cnn3ccc(C(F)(F)F)nc23)CC1 1891415528 LPQNZFDIKQXYHX-UHFFFAOYSA-N 431.378 2.341 30 10 IEEE Cc1nc(I)c(NC(=O)[C@H](C)C#N)c(I)n1 1984094246 LTLBOAKMYDHEEG-SCSAIBSYSA-N 441.998 2.092 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2067678968 NDFZJBDFOWEKKI-UJHHCITNSA-N 436.358 2.467 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)nn1 2124521025 BBHFTJROYLVBFK-MRXNPFEDSA-N 447.345 2.171 30 10 IEEE CC(C)(C)OC(=O)N1C[C@]2(C)C[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124538810 NPUUDJBVMZJFJA-FCHUYYIVSA-N 444.341 2.361 30 10 IEEE C=CCn1ncc(N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(Br)c1=O 2178146519 JDSLDVFAXJUEPQ-YUTCNCBUSA-N 441.326 2.238 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1CO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2218680393 ITKGYSRSBLSPPE-CJNGLKHVSA-N 439.372 2.373 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 2247566312 DTJAWQZFHVBEEL-IMBKEICKSA-N 427.545 2.046 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2248403433 GHLBLVPGWJPWLA-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254803996 FHYZSRCXFDGEEB-CABCVRRESA-N 437.321 2.302 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626465 GLRXYCXRPSQOBK-KGLIPLIRSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255696900 ATAGYSYGBKIKKE-SHTZXODSSA-N 431.342 2.414 30 10 IEEE Cc1c(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832596 OJICWSFBQBHUQJ-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255854607 DPJSIZRNFAENEN-HZPDHXFCSA-N 432.326 2.422 30 10 IEEE Cc1ccc(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2256675406 QMXUHLCHTZFKKY-HNNXBMFYSA-N 434.342 2.366 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929192 NWDRQQARDKFDCO-DZGCQCFKSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2259344992 AWMXCNLMMZKUPH-WMLDXEAASA-N 431.342 2.414 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267132571 RFXSVQUMXNNTJM-HKUYNNGSSA-N 438.381 2.217 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267477750 PDRFWKBMIRTSKX-HZPDHXFCSA-N 443.353 2.320 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN(Cc2ccccc2)C1 2267489072 WMAPVORXIVVWFH-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267549753 PHUAYIJKLRLRMW-UHFFFAOYSA-N 446.357 2.201 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550688 CPIVYKHRCADFTM-GJZGRUSLSA-N 446.357 2.009 30 10 IEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267564055 RDYNFXPTFFSUTD-CVEARBPZSA-N 449.357 2.068 30 10 IEEE Cc1cnc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2267572721 ZJZWMPDUYWRBLC-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268631718 BPYVWUZKHWWCLF-MSOLQXFVSA-N 446.353 2.284 30 10 IEEE C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268721316 JNBMGOUHPMAAFF-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@](C)(O)[C@H](N)C#Cc1ccc(Br)cc1 2278796062 CNXYTNHZQUYQNG-APWZRJJASA-N 427.339 2.420 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@H](N)C#Cc1ccc(Br)cc1 2278814704 VSLXZAMLFKBDMA-HZPDHXFCSA-N 443.363 2.066 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2312855531 YUXOHGJUJFASBI-LJISPDSOSA-N 438.330 2.438 30 10 IEEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1 2318584402 APNPSVMNDDYDSM-UNMCSNQZSA-N 435.524 2.334 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)C=Cc2ccc3c(c2)OCCO3)cc(C(=O)OC)c1 2325701666 LKUUYFXTLRALFO-UHFFFAOYSA-N 425.393 2.252 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2337193673 WRAQWVRDUOALKE-OALUTQOASA-N 436.365 2.066 30 10 IEEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1OC(F)F 31742535 GSDJAYMJLWJQCZ-UHFFFAOYSA-N 439.440 2.419 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1)NCCO 59819317 XPELNPNGDSGHPF-WSDLNYQXSA-N 426.502 2.030 30 10 IEEE CCOc1ccccc1NC(=O)/C(=N\NC(N)=S)[C@@H]1C(=O)N(c2ccccc2)N=C1C 106007889 AGVXSDWUHWGQFL-KJCFGCQTSA-N 438.513 2.252 30 10 IEEE Clc1ccccc1/C=C/C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252632207 VQNDYQDYUOUASP-XKWSUUECSA-N 429.912 2.309 30 10 IEEE CCO[C@H]1C[C@@](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)(C(=O)OC)C1(C)C 444768504 UDNMTJMYFRLCKU-HTAPYJJXSA-N 425.489 2.019 30 10 IEEE CCS(=O)(=O)c1cccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 461018030 UXMSWMYWNXAMJJ-IBGZPJMESA-N 443.550 2.435 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H](NC(N)=O)c2cccs2)cc1 502442522 QDKDJPJFFOCYSU-CABCVRRESA-N 429.527 2.259 30 10 IEEE N#Cc1ccc(OC2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)cc1 507787875 VTYNXGWYXQUDNP-UHFFFAOYSA-N 438.553 2.448 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 508901395 FWTUDSMDJAETIO-UHFFFAOYSA-N 449.559 2.466 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(-c2ccccc2C#N)c1=O 512725004 JDPJJIDQDZALOP-UHFFFAOYSA-N 445.548 2.495 30 10 IEEE CCOc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 513907960 SIXCYCPYXACKSX-OAHLLOKOSA-N 436.534 2.262 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 523348186 IZHIJTNSOXIWEF-HXUWFJFHSA-N 445.504 2.317 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1-c1ccc(F)cc1 531842527 FVMBCAMGALYSDI-UHFFFAOYSA-N 431.851 2.080 30 10 IEEE COc1cccc([C@@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C2CC2)c1 537356982 MSGZNIOGHFFNBK-JTHBVZDNSA-N 445.523 2.363 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](c3nncn3C3CC3)C2)CC1 539452156 RPXDWLZAKWZVGF-IEBWSBKVSA-N 439.589 2.263 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)n1 545490314 IVECAYCPRXEHIG-QFIPXVFZSA-N 440.507 2.038 30 10 IEEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 549321156 HXNCROIMDNHXIA-GOSISDBHSA-N 425.599 2.074 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)CC1 571210702 LHZHFFXVUQHBMV-UHFFFAOYSA-N 432.575 2.449 30 10 IEEE COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 572037049 REOMHCYCUZPVKW-UHFFFAOYSA-N 449.920 2.085 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 609161593 QNJKPSDMMSSJLD-IBGZPJMESA-N 425.855 2.477 30 10 IEEE Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1C#N 611644833 UFKWSJVZKIDPSE-QGZVFWFLSA-N 426.498 2.238 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 614904136 XZUFGQPPXKXCMQ-QGZVFWFLSA-N 438.549 2.142 30 10 IEEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 685533802 BJVWIXKYDVUTKH-HXUWFJFHSA-N 431.544 2.422 30 10 IEEE Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1C#CCCO 703981527 QZWJTZXJWVUHKN-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1 729832027 FZISHOLFAUDDPH-UHFFFAOYSA-N 427.438 2.449 30 10 IEEE CC(C)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224080 LIOUXPFZWKBMBV-GOSISDBHSA-N 434.562 2.461 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC2CCC2)C1=O 735224930 XOAOMEQKKJICTN-GOSISDBHSA-N 432.546 2.215 30 10 IEEE C=CCn1c(-c2ccccc2F)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 744441792 XBTZVVRPWGDFRW-UHFFFAOYSA-N 441.536 2.280 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1 750266526 TZYHCUOKTOSAGC-FHMUSPLKSA-N 432.546 2.087 30 10 IEEE C=CC[C@H](NC(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757468893 JQPNKSQQWCRXOH-BTYIYWSLSA-N 438.480 2.422 30 10 IEEE CC(C)[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1nnc2ccccn12 758448153 GGUMKXVXYQUJIN-UXLLHSPISA-N 427.509 2.485 30 10 IEEE Cc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 759226988 MMIUDOZDPMGXTD-MRXNPFEDSA-N 430.327 2.186 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 763769749 KMRMPXJDWLJYLX-HKUYNNGSSA-N 432.498 2.322 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CC(C)(C)CCC#N)CC1 768901906 BKLVFIJVRWYELK-UHFFFAOYSA-N 427.592 2.035 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 776968114 JZJUZUVYSNJBAU-QHCPKHFHSA-N 437.475 2.353 30 10 IEEE N#Cc1ccc(N2CC[C@@H](OC(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)C2=O)cc1 780255057 NXVSBMCXZWYWAZ-HYBUGGRVSA-N 449.463 2.292 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)n1 789246532 YDMMJNYXADFXFQ-QFIPXVFZSA-N 441.601 2.292 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C2CCN(C3CC3)CC2)C1=O 790747558 FFWKHEKKHNSRBP-GOSISDBHSA-N 449.646 2.374 30 10 IEEE C=CC[C@]1(C(=O)OCc2nnc(S(C)(=O)=O)s2)CCCN1C(=O)OC(C)(C)C 803463607 YUWRAKCQSGAEOH-QGZVFWFLSA-N 431.536 2.331 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(OC)c(OC)c1C 807914042 BPBNERGBZWVUNI-UHFFFAOYSA-N 430.534 2.490 30 10 IEEE C[C@H](c1ccccc1Cl)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 913029742 QXGIKTSOZWEQQN-OAHLLOKOSA-N 446.960 2.284 30 10 IEEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 1083936762 HDRQWUWEQRKWPE-UHFFFAOYSA-N 442.549 2.286 30 10 IEEE CO[C@@](C)(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)OC(C)(C)C 1125202055 BDUJZCXSYPNOGQ-OFXNXBLFSA-N 439.534 2.185 30 10 IEEE CN1C(=O)CO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1cccnc1 1127386245 UPWNWUBKWVCUKQ-UXHICEINSA-N 436.859 2.329 30 10 IEEE COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1136810174 SBSFUUBFXGQHGD-MUUNZHRXSA-N 438.502 2.270 30 10 IEEE C#CCN(CC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)C(=O)OC(C)(C)C 1149180284 YPVOPPBHJVHNQS-SSEXGKCCSA-N 436.534 2.210 30 10 IEEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1154225462 QKRMKENHAKSEIJ-GOSISDBHSA-N 441.329 2.230 30 10 IEEE CSc1nc(O)cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1163578294 QEAXMDJWRROUDZ-DAIAYTDJSA-N 433.534 2.307 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1196057617 RPBXEHXRLZZUGJ-ICSRJNTNSA-N 435.590 2.048 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CNS(=O)(=O)c1cncc(C#N)c1)C2 1213579428 BDPQQISOOWGSPB-INIZCTEOSA-N 436.534 2.038 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1 1264809504 IYZIVDKIHWELAC-UHFFFAOYSA-N 431.492 2.403 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286342410 CAXUSEJXJPCPLV-OAHLLOKOSA-N 436.969 2.173 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1286388455 PHBWYJWCGRBBPW-YJBOKZPZSA-N 429.571 2.195 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1286484083 HIVYCMJKXOYJBP-HSZRJFAPSA-N 439.491 2.252 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1286496816 WABYXOPNLGXZPN-QGZVFWFLSA-N 440.573 2.215 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CC)CCS(C)(=O)=O 1286556146 ODHSRWBUWWRHME-KURKYZTESA-N 426.583 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C 1286563690 QROOFRFMWLERSC-FPOVZHCZSA-N 444.624 2.301 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1COCCO1 1286569701 BPCXZOPCEFDQEA-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCC[C@@H]2CO)CC1 1286639073 XADUGXUVGBOUJI-OFNKIYASSA-N 433.597 2.324 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286709427 TXXYQFSPJCHDPZ-SFHVURJKSA-N 436.520 2.070 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCC[C@H]1C 1286964459 BBWFXUZPPQAENK-ZMSDIMECSA-N 431.566 2.259 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1286972819 WRLLHQUCKLLQPO-OIISXLGYSA-N 428.541 2.426 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1288530551 GOIYURSNMZJWRI-CABCVRRESA-N 440.570 2.133 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@H]1N1CCOCC1 1291225354 PNHSKUKVYDGVMO-VQIMIIECSA-N 446.502 2.255 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1297156610 FDPUFSPJBMLTNB-GCJKJVERSA-N 442.495 2.422 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(C(N)=O)CCCC1 1297327763 DZMPVIKBOKBMSL-IBGZPJMESA-N 438.532 2.310 30 10 IEEE CC(=O)N(C)c1ccc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1299659469 CXRDUAJUPFWFDB-QGZVFWFLSA-N 443.529 2.156 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c(OC)c1 1300041878 VZCBCXWAARBPQJ-JTSKRJEESA-N 442.495 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1300305331 UKZOYSUVDKOGKL-UZLBHIALSA-N 433.560 2.473 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300368583 YKURUNUOXHOPPQ-FQEVSTJZSA-N 425.533 2.022 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300395167 YFRMYGBCWCRQIR-UHFFFAOYSA-N 440.511 2.051 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1300411746 WMQZWQFDAYYZPG-KRWDZBQOSA-N 432.546 2.247 30 10 IEEE C#CCCCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1300425884 ZNBLBISNYVOPCV-QFIPXVFZSA-N 428.512 2.204 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1300457390 CPYPYEYZYYOOLT-JKSUJKDBSA-N 428.537 2.088 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1300510914 DFINKFYWLLAWRN-VWLOTQADSA-N 449.555 2.142 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1300991866 WRZHRLIVMVQCBH-UTKZUKDTSA-N 440.610 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C 1301489915 GSBHMLZSARAMHD-GFCCVEGCSA-N 437.331 2.221 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301499139 YLTHBTIQSOIINX-IRXDYDNUSA-N 448.568 2.173 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)NC)CC2)cc1 1301519553 UTWWYDKKGAWLFK-UHFFFAOYSA-N 435.532 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1301568480 SXJSSXZBPXTFHM-UHFFFAOYSA-N 445.589 2.026 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1301981011 HSRZJXGCBPJZJT-ZACQAIPSSA-N 434.541 2.361 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1302861348 ZFRMOCUOHGPZIX-XDLPEBSCSA-N 430.509 2.251 30 10 IEEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1303257130 SAPCRUDASDJGAT-UHFFFAOYSA-N 448.579 2.450 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1303497328 RJIAYQHSAISVJP-FCHUYYIVSA-N 448.543 2.163 30 10 IEEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 1306848741 AMDDILDMFBXERU-CQSZACIVSA-N 427.461 2.039 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC([C@H](C)CO)CC3)nnc12 1306872271 NUVBWJLLZVSIDU-OAHLLOKOSA-N 441.557 2.189 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(c3ccccc3C)=NO2)c1 1357766277 CBEUAYAJYUUTQT-HSZRJFAPSA-N 431.492 2.361 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1358871734 JNXHOKIGSCPOPC-CHWSQXEVSA-N 443.932 2.218 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1358894056 HPAWTXBKNXUDNF-AWEZNQCLSA-N 444.586 2.048 30 10 IEEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1358920499 ADDLDUDTXVTBSE-UHFFFAOYSA-N 445.571 2.425 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1358947599 GDNGTNMTZAEDSZ-QGZVFWFLSA-N 432.569 2.330 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358965891 DCILESJVZGRWEL-KDOFPFPSSA-N 431.562 2.266 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1COCCO1 1359018079 CRBCGUPGIGOOKE-JBACZVJFSA-N 444.507 2.196 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(CC)noc2C)CC1 1359037778 XGFTTWGSOFXHRI-UHFFFAOYSA-N 425.562 2.296 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1359098913 HMAMWICPCRHMCZ-WIRSXHRWSA-N 438.594 2.167 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(C#N)C1 1360316022 LXHSAZXMBXHKBM-LJQANCHMSA-N 436.607 2.388 30 10 IEEE N#Cc1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)cc1F 1438610568 GHJMJFSDDQPMEF-UHFFFAOYSA-N 435.452 2.429 30 10 IEEE C#CCN1CCC(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1450027735 GRMGDGOYEAHOSJ-GOSISDBHSA-N 431.602 2.077 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 1455208776 BQFVFXRAOXJBPI-ROUUACIJSA-N 442.459 2.415 30 10 IEEE CN(CCc1cccc(C#N)c1)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1460663329 LFPDGADTKBISRZ-DEDYPNTBSA-N 449.536 2.280 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(I)cc3O)CC2)nc1 1464403237 AWYRPUKUWYXZDL-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1466047441 LOTVBJYIGUWMSZ-IBGZPJMESA-N 431.338 2.477 30 10 IEEE N#C[C@]12CN(C(=O)N[C@H]3CCc4c3ccc(F)c4Br)C[C@H]1CS(=O)(=O)C2 1470161568 COIMNHOSRKAGGM-RMLVOYDJSA-N 442.310 2.155 30 10 IEEE C=CCn1cc(CNC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)nn1 1470584236 NBXKMNVMHFYIFC-OCCSQVGLSA-N 432.447 2.309 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(OC)c(OC)c3)C2)c1 1472379453 KJYORKHBGIDSLY-NRFANRHFSA-N 446.525 2.382 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c1 1477127748 HIHFZOQGAVIAFS-UHFFFAOYSA-N 438.488 2.375 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 1492765425 GPBSSDYTRLAWHW-CQSZACIVSA-N 436.545 2.276 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493244663 LXECQHFEEKDZMX-MEFWESNSSA-N 428.537 2.181 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@]2(CCOC2)O1 1494251874 DFBBIZPGULGTNL-SBUREZEXSA-N 438.532 2.069 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1501805932 HDDJVKXLVNJJRO-ROUUACIJSA-N 428.537 2.325 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC[C@@H]2CCCO2)CCOC1 1502668048 AEFRLPAZWOTISH-UGKGYDQZSA-N 433.553 2.256 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCC1 1503644342 BFHKJMLYKBZVFF-CQSZACIVSA-N 435.326 2.080 30 10 IEEE COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)cc1O 1504279019 FLFBGYYYANLYNV-INIZCTEOSA-N 426.502 2.125 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CC(F)(F)F)cc1 1505316020 VLFQMJCJVPEPEZ-QGZVFWFLSA-N 425.436 2.394 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CN(CC(C)C)CCO1 1507537702 NKYNPYFDOOIVSH-TZIWHRDSSA-N 435.576 2.331 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1507560284 GLWBLJUJYKZIEJ-UHFFFAOYSA-N 443.555 2.234 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507614916 IUWZAAFLWCJBKI-FQEVSTJZSA-N 426.540 2.020 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633816 ILHWRYJHTNKVPC-AUSIDOKSSA-N 444.601 2.401 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507840238 KJXWRVPUIRYWMN-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 1512357298 AUTJEOKLEVGLJH-KRWDZBQOSA-N 430.516 2.381 30 10 IEEE Cn1c(C#N)ccc1C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1526259568 GFYRSQVYLCYOJY-UHFFFAOYSA-N 448.264 2.100 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)/C=C\c2ccccc2C#N)C1 1534590720 UUZNJWXDJMTLOK-GIFJBRJJSA-N 433.530 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1cn(C2COC2)nn1 1538971981 GJKPPTAZFKGSPB-ZDUSSCGKSA-N 442.321 2.377 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539078345 ZBNKMPLTGAJDHR-HXUWFJFHSA-N 446.559 2.399 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCCC1 1539167798 MQDQHJDDIFQQRT-GOSISDBHSA-N 443.621 2.430 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1539213132 WDVHTPXMFCPUEH-KRWDZBQOSA-N 434.587 2.334 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539215974 MGDCTEJEXKKXJE-PKOBYXMFSA-N 433.622 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2cccn2)CC1 1539470778 ZFDOPGVNKJMWHH-UHFFFAOYSA-N 447.543 2.206 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540867022 IAFYWWVLOGZXDY-IBGZPJMESA-N 446.559 2.451 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCCCC2)CCOC1 1541733011 KGIHIFQZEJCBEK-CVDCTZTESA-N 446.596 2.312 30 10 IEEE C#CCN(CC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 1542437227 SOSGVFHWFNAFIM-UHFFFAOYSA-N 449.573 2.074 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CCO1 1555406088 OOOHXTUOWVKILP-HXUWFJFHSA-N 434.456 2.093 30 10 IEEE C=C[C@@](C)(O)C(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1557622657 YNNSLCHKAUEIJB-KSFYIVLOSA-N 433.553 2.110 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](O)COc2ccccc2)C1 1566332690 NMCGZULWNLSOQZ-KRWDZBQOSA-N 430.302 2.313 30 10 IEEE C#CC[C@]1(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)CCCN1C(=O)OC(C)(C)C 1583621357 NLDYXNGXJXAPPC-HTAPYJJXSA-N 436.549 2.311 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(n1)CCCC2)[C@H]1CCS(=O)(=O)C1 1588058888 FAVJJDPTSNKIQX-FQEVSTJZSA-N 441.601 2.425 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1594679998 MGKCGNZCLNLNNI-JKSUJKDBSA-N 435.550 2.131 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594813096 ODAVVDWFADQSJX-MJGOQNOKSA-N 445.568 2.339 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1595500820 GDGJBTSZMWPJCD-ZIAGYGMSSA-N 439.969 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1595723608 YRHOGADRFJEEMT-RBUKOAKNSA-N 426.521 2.355 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1=O 1595863817 WUWONCXUABHJNL-LJQANCHMSA-N 437.500 2.322 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN(C3CCOCC3)C2)c1 1596612104 TULVZMDENVMUPF-FLFQWRMESA-N 448.589 2.329 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1597053569 PJSSOIAXWMRCLS-MRXNPFEDSA-N 430.438 2.145 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597077525 KCBORSWVMXUVSI-WLBHNISZSA-N 428.537 2.109 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1610053820 BCOICEXEOQGOAK-HXUWFJFHSA-N 433.516 2.258 30 10 IEEE C[C@H](C(=O)N(C)CCC#N)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@@H]2[C@H]1O 1616134279 LASZHOMWXMJRPL-WZGCNLPQSA-N 441.576 2.406 30 10 IEEE CS(=O)(=O)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCCC1 1617878605 FFFRBUDUMKTBRK-HNNXBMFYSA-N 437.949 2.428 30 10 IEEE COc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1619333424 BPEYKVBHWNYNEO-NRSPTQNISA-N 440.548 2.212 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNc2ccccn2)cc1 1620351703 DUSAGHJBNUTETR-HXUWFJFHSA-N 444.499 2.355 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)s1 1623447452 ZVEJZRJTXACGSW-RYUDHWBXSA-N 432.951 2.259 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C\CN2CCOCC2)c1 1625037184 VCRGVAGDQXOHDX-DFLDZPCCSA-N 434.562 2.107 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)ccc1F 1635415626 LWFGWHNJUQGVIP-QGZVFWFLSA-N 443.504 2.273 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)s1 1636384615 BIFUHQMQVAPFCU-GASCZTMLSA-N 441.619 2.249 30 10 IEEE C=CC[S@](=O)(=NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 1640208613 RHWXOJUKDOIRFJ-SSEXGKCCSA-N 427.530 2.145 30 10 IEEE C[C@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1642320479 FDJSRXAWUULJND-KKSFZXQISA-N 427.526 2.197 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(Cc3nc(C4CCC4)no3)CC2)CC1 1644135715 QZMOQNVRSDBBCR-HXUWFJFHSA-N 428.581 2.284 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 1644464958 BGWUZLBVYVUVFC-SFHVURJKSA-N 426.469 2.225 30 10 IEEE CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1644614472 GLJNRMOXQGVRME-LJQANCHMSA-N 436.516 2.465 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1645090474 BUZPQRGTERPREH-FWKXQSBZSA-N 435.521 2.000 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1650698664 PRHVEDGBOATXNO-YCRPNKLZSA-N 426.510 2.143 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](OC)C[C@]2(C)CO)cc1 1659750953 PULIWEIRCKJLDN-WMZHIEFXSA-N 426.517 2.385 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC 1664903859 LMOYCHICHCEPQG-UHFFFAOYSA-N 431.894 2.101 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)C2)nc1 1684600947 RMCUDLDCZWFJIY-HXUWFJFHSA-N 433.516 2.265 30 10 IEEE CCOC(=O)c1nnn(C2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)c1C(F)F 1684721740 CZMVCCKGVQSWGH-UHFFFAOYSA-N 440.451 2.059 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689988988 ZWEHEIKPTPHYOS-QGZVFWFLSA-N 438.619 2.085 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1689991827 DCEVTVFLSBZHNI-NZQKXSOJSA-N 442.585 2.373 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689996702 MLROIXJKMJAFOP-UXHICEINSA-N 442.589 2.123 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCOCC1 1689999765 HVHZZKQSCRKQAE-UHFFFAOYSA-N 425.920 2.361 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc(Cl)cn1 1690003300 JZYKSEYWOQBNPN-NRFANRHFSA-N 429.908 2.130 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cn2ccc(C)cc2n1 1690003694 UZEWHTIJFWJLSL-DEOSSOPVSA-N 432.528 2.396 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCOCC1 1690095525 SWZXCOLJOUFNBJ-IBGZPJMESA-N 449.559 2.142 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690243919 RHSMNDAMTUQRTF-GGPKGHCWSA-N 439.564 2.409 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690414737 IRIMLLVAWUGDSP-OALUTQOASA-N 430.597 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1690668286 ZAHAGQMBTDTPOQ-MSOLQXFVSA-N 439.564 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1690717572 JWVJVFQXBPLKNN-QAPCUYQASA-N 449.533 2.458 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1695000964 CDDUJRGTJHUNDH-PLNGDYQASA-N 431.500 2.351 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1705495314 OFBXWUINOFPMRH-BZSNNMDCSA-N 433.553 2.471 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705536794 WQGYBYXOZKIVPI-UHFFFAOYSA-N 443.555 2.438 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1705563836 GNNVOLDLGYZTMU-QGZVFWFLSA-N 432.521 2.304 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705603622 RUPHRYZEZJKJLO-KRWDZBQOSA-N 430.553 2.373 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCOC2)CC1 1705636453 KROHEWIDCNTRPG-SFHVURJKSA-N 444.967 2.192 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C 1705687389 CUTJQGPZXSWETD-FRRDWIJNSA-N 435.413 2.419 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705731796 CSIYZOYBGBJOQS-GOSISDBHSA-N 426.477 2.257 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)CC1 1705780278 CSQGAQIEOLIJAC-UHFFFAOYSA-N 425.537 2.050 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1705819529 NULAJSJXFWLKNB-MRXNPFEDSA-N 426.608 2.249 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705932027 IJOCPXDJVGPFTB-MRXNPFEDSA-N 448.593 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705933238 YUEAUAGMNUKKKG-MSOLQXFVSA-N 434.562 2.094 30 10 IEEE CC(C)(C)C(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1706095417 HDJYPTLQGJOLKL-HTAPYJJXSA-N 442.495 2.395 30 10 IEEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1708266956 QJACUPSTDFIGFX-AYAKEVCGSA-N 449.540 2.285 30 10 IEEE CC[C@H](Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1)OC 1708773276 HBXRKBRALHNHIJ-FOIQADDNSA-N 449.556 2.414 30 10 IEEE CCCCN(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709606075 GUGZDZYFUBVIBP-UHFFFAOYSA-N 446.563 2.060 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1709829161 HNLHYVRZHVOYND-HXOBKFHXSA-N 438.532 2.117 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1709938326 MVCFOOOIWZQEOS-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE COc1ccc(CCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)cc1 1711796058 KSVSERVYBSCUAK-INIZCTEOSA-N 434.500 2.252 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N1CCC(CC#N)CC1 1712581986 CVXBSJANCRPKOH-UHFFFAOYSA-N 434.504 2.334 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CC)CCOCC1 1722347146 ZYSXMWBQFCUJSZ-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1C(C)(C)C 1722498704 CSVAIHHUBASUTM-RDJZCZTQSA-N 425.599 2.075 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722511285 ZMMLTJDPUUSOIY-RDGPPVDQSA-N 433.553 2.430 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722527676 QPJFVZRAIJOKOD-HSZRJFAPSA-N 427.549 2.415 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722624493 DOWDPYQMAIDYPM-UHFFFAOYSA-N 444.609 2.275 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722690764 CWNOTZJFGSYAAY-UHFFFAOYSA-N 437.479 2.003 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722697248 YBADIDBLNCZHKS-UHFFFAOYSA-N 438.561 2.042 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)C1 1722713861 JWHBULCWJXXWJH-NHCUHLMSSA-N 439.560 2.312 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1ccc(C#N)o1 1723600841 LNCMDBCQZQVYOD-AWEZNQCLSA-N 440.426 2.477 30 10 IEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1723729508 GAWLYMFGDMVHJR-UHFFFAOYSA-N 434.548 2.146 30 10 IEEE Cn1cc(C[C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C2)cn1 1729577937 PKWGXGQGMKLFAC-IBGZPJMESA-N 435.532 2.018 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1729999885 MUBCWPBYHSDSPQ-MGPUTAFESA-N 433.896 2.141 30 10 IEEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1730169295 DCGXZIHHISCZQY-HXUWFJFHSA-N 441.492 2.163 30 10 IEEE COc1cccc(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)[C@@H](C)CC#N)CC2)c1 1730214487 FEXUJRMMEGLCDO-HOTGVXAUSA-N 446.577 2.367 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1730403066 FNOVCKBZIIYWRJ-VQTJNVASSA-N 438.532 2.074 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740618151 CXQTVCDQUXHERF-IEBWSBKVSA-N 444.557 2.007 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1OC 1740674135 VSZVWIHJICXIPY-UHFFFAOYSA-N 441.561 2.082 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1740902086 XDQAKPHLLZBABU-UHFFFAOYSA-N 425.942 2.265 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740955026 VWJJQDJQWCMKHQ-QZTJIDSGSA-N 426.477 2.303 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc3ccccc23)C1 1740972052 CELZMKNEZIQGCT-NVXWUHKLSA-N 445.545 2.464 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(OC)CCOC2)C1 1740973631 ATXPOUNPRTYEID-WIYYLYMNSA-N 429.477 2.440 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1741091727 BAMVPOFXXDSDGP-LJQANCHMSA-N 442.589 2.285 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCN(C)C1 1741127727 HHMGCAOWMDFNNJ-LIRRHRJNSA-N 433.354 2.370 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1COCCO1 1743749225 LALCDGVMSPEYDZ-IEBWSBKVSA-N 425.537 2.190 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1745519872 KYPAVOINBBYEJH-UHFFFAOYSA-N 447.547 2.126 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1747356790 XCBAJNNCROCAPS-PXNSSMCTSA-N 440.548 2.221 30 10 IEEE CN(C)CCOCCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1747601294 STENOGSHYPQDDG-UHFFFAOYSA-N 443.571 2.491 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1748743890 ONLWDOCBHIAARN-UHFFFAOYSA-N 431.562 2.227 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748819439 ORGNVAWEIGLUJI-NVXWUHKLSA-N 433.603 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCCC1 1748882245 MEIWFFYRCOOGTN-UHFFFAOYSA-N 435.528 2.471 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1NC(=O)CC1(C)C 1748951423 ZOVMYNXEGUPYAW-OAHLLOKOSA-N 449.353 2.036 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(SC)CCN(C)CC2)CC1 1748991181 RVOJQWPRDATXHZ-IBGZPJMESA-N 432.638 2.102 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCSC2)CC1 1748999527 ZMZPWRRTMRGTHA-QHCPKHFHSA-N 441.601 2.097 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1749067834 YHPYJYSPRMRSLD-CSODHUTKSA-N 431.562 2.068 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nccs2)CC1 1749223679 XEEUPBDHLWPYIQ-UHFFFAOYSA-N 428.566 2.445 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749238885 CPFINUBUYQUZFL-WMZOPIPTSA-N 429.496 2.304 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCCOCC)C1 1749257919 GBOKYIIFDPXBJF-SFHVURJKSA-N 444.927 2.305 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1749617298 GSKALKCUYOKVNF-VGSWGCGISA-N 429.521 2.131 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nncn2C)C1 1749693139 GSHUFPPBBJBTBF-SFHVURJKSA-N 436.520 2.105 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)C1 1749716932 FBSVAKCXMHKISE-GOSISDBHSA-N 429.496 2.378 30 10 IEEE CC(C)(C)c1nnc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)s1 1750131396 AWMDHUXNSSPJSS-UHFFFAOYSA-N 428.566 2.451 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1751096977 BCTGAQCETBMPBV-LBPRGKRZSA-N 428.390 2.413 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)c1 1751399877 CZTQRJOSHGNYAB-QFIPXVFZSA-N 426.496 2.442 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1760190069 NXNATYIZWQZCOR-SFHVURJKSA-N 442.566 2.311 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccc(F)c1)N(C)C 1760193301 CUGOWWWWJQTBMT-HXUWFJFHSA-N 445.502 2.440 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)CCOC 1760211277 CLJGMPIDKGRWOS-UHFFFAOYSA-N 433.354 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCC 1760217174 RWDOERDFJMLWGT-JOCHJYFZSA-N 442.589 2.252 30 10 IEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C(=O)NCC)CC1 1760261721 VRHMKKCYCFCYLE-UHFFFAOYSA-N 447.587 2.199 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1760318245 DXMZDUWIWQBBNY-RXVVDRJESA-N 440.548 2.053 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)CC1 1760318854 PYDQQKADKGIFCR-IIBYNOLFSA-N 441.532 2.270 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760416851 OUSKSPJHZKOXDA-IAGOWNOFSA-N 425.599 2.498 30 10 IEEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1760474594 ZXEVPDTULDMMGA-ICSRJNTNSA-N 430.597 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760528998 SWEVDLZEDHHGNE-PNYFIKQUSA-N 430.597 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2ccccc2C)C1 1760558089 GBZRUMJFTYTYPP-IBGZPJMESA-N 434.562 2.302 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1761359935 CMDICFCIBLNOQG-INIZCTEOSA-N 436.495 2.497 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)o1 1761760247 DCGVNUDEQMOVBA-SJLPKXTDSA-N 438.463 2.059 30 10 IEEE CCOCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)CCC1 1768065328 YXUCFIYCESAXJX-GCJKJVERSA-N 433.553 2.256 30 10 IEEE CSCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1770572507 YPYRSGVXJLQRSX-QGZVFWFLSA-N 444.609 2.165 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)o1 1770739809 AQUCWUSDCCVFHH-LBPRGKRZSA-N 443.451 2.472 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCCOCC(F)F)cc1 1770740036 HDDMNQQKISZLPA-INIZCTEOSA-N 432.431 2.129 30 10 IEEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2C#N)CC1 1771058579 PLSPYYGSXOVRLB-FPOVZHCZSA-N 440.548 2.237 30 10 IEEE COCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1771071133 JZSYFWMLERZJQN-QGZVFWFLSA-N 446.508 2.182 30 10 IEEE N#C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1848650234 BRCMBOPAKOONRV-QMTHXVAHSA-N 449.838 2.411 30 10 IEEE N#Cc1ncc(C(=O)Nc2ncc(CCN3CCOCC3)c(-c3ccc(F)cc3)n2)cn1 1852521377 LYXQAHRZJRTHJW-UHFFFAOYSA-N 433.447 2.071 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc3nc(CC)sc3c2)C1=O 1854179237 OBFUNZPWMWVXJA-IRXDYDNUSA-N 426.542 2.319 30 10 IEEE COc1cc(CCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)ccc1F 1856335617 YWPOKHMAEQVMDU-INIZCTEOSA-N 434.445 2.186 30 10 IEEE CC(C)CS(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C12CCCCC2 1856436300 JMDRXEOTIHUKMJ-UHFFFAOYSA-N 431.558 2.460 30 10 IEEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CSc4c(cccc4OC)C3)C(=O)C2)C1 1856837119 ICBGPNSAWPHXNA-RTBURBONSA-N 429.586 2.281 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862757898 RXAODVSWPBXITI-DIFFPNOSSA-N 426.381 2.252 30 10 IEEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870386979 LBMMGFGHXXBVED-UHFFFAOYSA-N 428.508 2.011 30 10 IEEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870528744 FLTSYBXUORFNRF-UHFFFAOYSA-N 428.508 2.011 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874280582 VLQGABFROHNJBS-FPQGOQEYSA-N 431.518 2.057 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CS)C(=O)O)cc1Br 1882729042 IBTHGQUGTWGIKT-QMMMGPOBSA-N 433.143 2.181 30 10 IEEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(COc3cc(C#N)ccn3)CC1)CS2 1891143755 PMCYJEKCERLYGE-KRWDZBQOSA-N 425.514 2.173 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC(CC#N)CC2)cc1 1892325201 KYDDSGHLCCIPBG-HXUWFJFHSA-N 432.546 2.340 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247837464 SJMJLUXKQDAXLC-ITGUQSILSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255643982 DUVJYDAIYGIOCT-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2255695207 YLWWKULUKWKDME-UHFFFAOYSA-N 431.342 2.416 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256068299 ZRGLVGPEWBYWRZ-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)F)ncc1B1OC(C)(C)C(C)(C)O1 2256669198 MFUICLASZGLPRC-RISCZKNCSA-N 438.309 2.274 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267144284 ULPADMPJIJXTDU-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267272794 DEEMFYCGNMBLRU-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]1CO2 2267287451 WMBBXLIHNZGAIF-FPTDNZKUSA-N 448.325 2.087 30 10 IEEE Cc1c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527250 DODUQFVQGJNVDC-UHFFFAOYSA-N 448.373 2.062 30 10 IEEE COCC[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2267616710 XYECUOFBMLSZRB-MRXNPFEDSA-N 449.357 2.040 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267808995 GEOUAJUAKYSLTF-IUODEOHRSA-N 448.325 2.040 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879819 LXIBNKDHPBAUOK-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268632635 MJUAAANUBAPNGH-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@@H](O)C#Cc1ccc(Br)cc1 2278785683 IENYYKFFJRCQEI-HOTGVXAUSA-N 444.347 2.099 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)C1 2278804408 XVQKGPSRHZXVPX-HOTGVXAUSA-N 444.347 2.196 30 10 IEEE C[C@H]1CC[C@@H](C2OCCO2)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282858593 ZKIGGFUIYNMNSB-ZFWWWQNUSA-N 443.396 2.209 30 10 IEEE COCc1nnc(SCCCO)n1N=Cc1cc(Br)c(O)c(OC)c1 2331597554 OONKBXCCGCSQEM-UHFFFAOYSA-N 431.312 2.258 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(Br)cc1C#N 2335427868 MCSLEGGZRXQNFA-CYBMUJFWSA-N 446.323 2.197 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(N4CCCC4)CC3)CC2)cc1 111094250 DUYFEEGEFAUGOW-UHFFFAOYSA-N 430.574 2.046 30 10 IEEE Cc1ccc(Cn2c(NN=Cc3cccc([N+](=O)[O-])c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254647219 WFAMSKOXXAFASQ-UHFFFAOYSA-N 447.455 2.145 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3)on2)CC1 443911027 WIPXEWNMGNVKOQ-UHFFFAOYSA-N 437.481 2.752 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C1CC1 460808885 KEPLMZHKXKTEAA-KRWDZBQOSA-N 437.591 2.418 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]2CCCO2)c1=O 478745462 KMTXQUKKOXETNR-QGZVFWFLSA-N 442.585 2.375 30 10 IEEE C[C@H](OCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)c1nccn1C 480886710 VSQNXOGWXBXDFP-AWEZNQCLSA-N 425.468 2.025 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 505155879 AHXDPEDLJLGUHK-AEFFLSMTSA-N 441.557 2.164 30 10 IEEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N(C)Cc1ccnn1C 508949240 GWXUFYWMMPDBIW-UHFFFAOYSA-N 434.592 2.460 30 10 IEEE CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1 514354147 RFAYRQSQIFSCDC-UHFFFAOYSA-N 444.538 2.268 30 10 IEEE CCCN([C@@H](Cn1cnc2ccccc21)C(=O)O)S(=O)(=O)c1cnc(C)c(C#N)c1 515161156 TUMNESGCVFXPRS-IBGZPJMESA-N 427.486 2.166 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccccc2C#N)c1=O 515661113 GSTLGJOAGYWBOH-UHFFFAOYSA-N 448.573 2.416 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@@H]2CCCO2)cc1 516162869 HLCJUFNXBOVMBY-FQEVSTJZSA-N 446.515 2.024 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 522109662 KWPVCRNPWVECGR-UHFFFAOYSA-N 443.550 2.443 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccs2)CC1 555376768 SUHJAPZIXWPNPA-UHFFFAOYSA-N 442.614 2.464 30 10 IEEE COc1cc(C#N)cc(Br)c1OC[C@@H](O)CN1C(=O)c2ccccc2C1=O 555565160 VENBJAQKLGZYTO-LBPRGKRZSA-N 431.242 2.365 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 581678921 UXBUIPDSQZWGJC-UHFFFAOYSA-N 436.562 2.430 30 10 IEEE COc1ccc(C2(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)CCOCC2)cc1 585778934 CMRCHANSNFBUPF-UHFFFAOYSA-N 425.460 2.187 30 10 IEEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccccc2C#N)c1=O 603999956 IDYBAANVABHVQK-UHFFFAOYSA-N 442.544 2.354 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 604182259 BNIMGFHTUIUMKL-OAHLLOKOSA-N 428.455 2.318 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c(F)c1 609253080 RLIGDDQSHKJBKM-UHFFFAOYSA-N 434.468 2.489 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 609600431 FWCZZCNSZDATAS-GOSISDBHSA-N 425.420 2.397 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 610036029 FYNKKYGERUFUIP-HXUWFJFHSA-N 441.557 2.474 30 10 IEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670221446 CYOXSXIXISIQRC-IBGZPJMESA-N 438.532 2.121 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)CC(=O)N2C)cc1 734921635 RAXISZGPBDPFAF-JTDSTZFVSA-N 427.482 2.399 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1[C@H]1CCOc2ccccc21 742144695 SWUOFMOPIMQJMZ-IBGZPJMESA-N 447.516 2.000 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@H](CO)c2ccccc2)c1 750591374 ZEZXHXWMXPECCJ-OCLJWFPGSA-N 430.530 2.397 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1=O 751326842 RDVKEQXPOZLCIR-QFIPXVFZSA-N 427.505 2.178 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnn(CCO[C@H]2CCCCO2)c1C 759356392 YDUSFGBQMZHFNF-IBGZPJMESA-N 432.502 2.034 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@H]3CCCO3)c2=O)c1 763436970 WVNDAPSUZUUGKD-GOSISDBHSA-N 425.554 2.080 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 765342511 GQHKSKIWOBIAAJ-ZACQAIPSSA-N 442.541 2.477 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(-c3ccccc3C#N)c2=O)cn1 772304536 VKCATAGCWZEPRE-HNNXBMFYSA-N 429.505 2.186 30 10 IEEE CN(C)c1nccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)n1 775658533 PNPOGWIREUFHOU-SFHVURJKSA-N 449.540 2.215 30 10 IEEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1ccccc1Oc1ccccc1C#N 778312352 XPOLNMHTZJTHRJ-KRWDZBQOSA-N 443.481 2.353 30 10 IEEE Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 779908920 AOEDAIKYCRTELC-LBPRGKRZSA-N 436.881 2.118 30 10 IEEE CC(C)N1CCN(c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2)CC1 781444945 OUJGOJFIWOECSU-UHFFFAOYSA-N 426.542 2.348 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ncccc2S(C)(=O)=O)C1=O 782830920 AASUPGJEJYWNIM-MRXNPFEDSA-N 446.554 2.061 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 787995081 LZTJSDCNALFANC-AUSIDOKSSA-N 433.597 2.154 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccnc(OC(F)F)c2)C1=O 790016403 KKGSAHYQINKZNH-KERFUJQDSA-N 449.483 2.257 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790515067 XZKMMGOHMUXWBQ-FQEVSTJZSA-N 429.583 2.215 30 10 IEEE C[C@@H](CC(=O)NCc1ccn(Cc2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 791302701 NJIIADPIHMSTRT-INIZCTEOSA-N 437.525 2.065 30 10 IEEE N#Cc1cnn(CCOC(=O)c2ccc3cc(I)ccc3n2)c1N 796689125 NMMHFTCCILZSNC-UHFFFAOYSA-N 433.209 2.347 30 10 IEEE C#C[C@@H](C)Oc1ccc(COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 802807741 ATZJKWMAVVSPRO-OAHLLOKOSA-N 432.454 2.407 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 804453812 JYULLVKSVMQUIG-QFIPXVFZSA-N 439.581 2.052 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)cc1 807934446 LETNBHVKYSHZNF-IBGZPJMESA-N 430.574 2.341 30 10 IEEE Cc1nn(C)c(Cl)c1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 816389763 QCEXTVVAGPMMCX-UHFFFAOYSA-N 449.964 2.313 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NCc1ccc(F)cc1 1084073750 GPIDEXZIUBRFNV-UHFFFAOYSA-N 445.436 2.412 30 10 IEEE COc1ccc(NC(=O)COc2cccc(Br)c2C#N)cc1-n1cnnn1 1126588706 HSNMLQTWOQQPHQ-UHFFFAOYSA-N 429.234 2.323 30 10 IEEE C#CCCN(CCOC)C(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1148757057 DHRKADXOLOFDRR-UHFFFAOYSA-N 448.519 2.481 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1179366576 MTZYBXFEIQBOFO-HNNXBMFYSA-N 427.548 2.002 30 10 IEEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1252550072 PQRIZIXLFMMMQT-OAHLLOKOSA-N 427.523 2.006 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc1Cl 1264367576 CNWJDFCGDBFQMQ-UHFFFAOYSA-N 430.917 2.242 30 10 IEEE N#C[C@]1(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCCOC1 1269385137 IFPQHOILGOYPBP-LJQANCHMSA-N 426.300 2.363 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286319285 YZMNUQDFTFAEPF-AZUAARDMSA-N 445.589 2.140 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286350635 IFTLKFMTSSPTBE-NRFANRHFSA-N 438.551 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CS(C)(=O)=O)CC1 1286408441 HVGVECPIZANZSF-UHFFFAOYSA-N 449.536 2.498 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCS1(=O)=O 1286430618 NLKQAWUDRIUAQM-SFHVURJKSA-N 431.587 2.064 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286464704 FFPZMAXDSFPHJP-SLFFLAALSA-N 433.597 2.146 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](OCC)C2CCCC2)CC1 1286470011 QDEAKXUIVCSVKN-HXUWFJFHSA-N 430.597 2.157 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1286516844 LYDPVFXVOQENJN-JOCHJYFZSA-N 443.935 2.458 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286712742 JHZYTOXEJKVBPT-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286756852 YBFLVQZQKDGYDX-HKUYNNGSSA-N 437.548 2.076 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286778516 BPJQABSYWFWUFU-WOJBJXKFSA-N 436.560 2.323 30 10 IEEE CC(C)CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287855426 ZQMCOUCXJJUCEQ-ZWKOTPCHSA-N 431.610 2.185 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)C1=O 1288936033 QHNYWFJZMIWJFG-UHFFFAOYSA-N 446.872 2.083 30 10 IEEE Cc1nnc(N(C)Cc2ccc(OC(F)F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1290720926 PUORWXLMCOEFEW-ZCXUNETKSA-N 432.431 2.351 30 10 IEEE Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290809206 OJVNKDAXPUPJEQ-DQRAZIAOSA-N 436.516 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1300310050 KHYMAWPJBSQVOD-JQVVWYNYSA-N 439.560 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC 1300575089 QWZBOHZIZVCJGN-UHFFFAOYSA-N 436.541 2.028 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1300643836 NUQKJFIDGQFHIY-QGZVFWFLSA-N 432.546 2.150 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCc2ccco2)CC1 1300683393 NNYCNWBTPCBFAC-QFIPXVFZSA-N 446.555 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2csc(C)n2)CC1 1300731158 DANCRNPCABKOHU-GOSISDBHSA-N 428.562 2.103 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC)C1 1301221068 HGPJOFALFVXPDH-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301611508 DAJNKTHPCBOLKJ-JKSUJKDBSA-N 428.624 2.351 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CCO1 1303004545 QXIJYGXTSWUDCX-GOSISDBHSA-N 440.891 2.160 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nc(C(F)(F)F)cs1 1303366984 GCIPHUAMQZNWEM-HNNXBMFYSA-N 431.419 2.382 30 10 IEEE C[C@@H]1N(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1305245385 SWGLQRDCDLCYSI-YGKKUGEXSA-N 444.536 2.050 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCO[C@@H]2CCOC2)c1 1316528494 FBWKZPJUTHIVIG-AZUAARDMSA-N 438.532 2.104 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1316532817 WGVDAIKPAXAUMB-DJJJIMSYSA-N 439.463 2.024 30 10 IEEE N#CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 1350336460 BGHLOVIBFNMBJQ-KRWDZBQOSA-N 428.470 2.125 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CN2CCOCC2)c1 1358978447 MYHNOCMONYSXAH-QHCPKHFHSA-N 433.556 2.125 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1359013998 TWALJABYXOEIEJ-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@H]2C1 1359086183 NKHREAFUBYHBSI-OAHLLOKOSA-N 439.383 2.063 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359294056 IYTATCSNBDOSNV-AEFFLSMTSA-N 426.477 2.161 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CCC)C1 1359294496 VGIROMGSFNGRRB-CQSZACIVSA-N 437.342 2.343 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359300587 GGOQODDXEKXEDO-UWVAXJGDSA-N 440.548 2.012 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H]3[C@@H](C2)C3(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305339 AOMSUEBEQNMBFI-WNKDZCFJSA-N 444.580 2.443 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1360340461 CSRJQMOVRPOYPN-VXKWHMMOSA-N 432.569 2.221 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1434999239 SFWYISXPXKNXNF-UHFFFAOYSA-N 445.321 2.496 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)cc1 1440092199 NBHZDZHWPZFGRI-UHFFFAOYSA-N 447.557 2.056 30 10 IEEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1=CCOCC1 1440143000 SVJZYQHEMCWDED-UHFFFAOYSA-N 431.558 2.448 30 10 IEEE CC(C)(C)n1ncc(C(=O)NCCNc2ccc(C#N)cn2)c1I 1441103092 QASUJGXGNFPFAU-UHFFFAOYSA-N 438.273 2.351 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(c3nc(CC)ns3)CC2)c1 1444737059 NYCGPBCUZKTMII-UHFFFAOYSA-N 432.571 2.250 30 10 IEEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1461964148 JWOQTQCHOVUVCK-OAHLLOKOSA-N 449.916 2.394 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c1 1464684737 ONQYBTCPTOPHBQ-UHFFFAOYSA-N 435.521 2.378 30 10 IEEE C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1473830088 MRCFEXDEILMCDI-GOSISDBHSA-N 433.553 2.133 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCCN1CCC[C@@H]1CO 1492900890 CLZKCJKAAAUGTI-LJQANCHMSA-N 441.555 2.161 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)C[C@@H]1C 1503889200 KSZYCMIQLHYIDY-JXFKEZNVSA-N 437.548 2.434 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507576427 MAOMSCKDMDYMOD-UHFFFAOYSA-N 431.562 2.133 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507635234 UTXOZVWBXMFYIY-MSOLQXFVSA-N 447.630 2.366 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(C)=O)c1 1507636672 IRLHGWASWLAIHO-UHFFFAOYSA-N 427.468 2.005 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC(F)F)c1 1507652624 JZQRNSXTNNFXCU-MRXNPFEDSA-N 443.454 2.155 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCn1ccnc1C 1507703771 ZAWVRPDAWIXFMC-UHFFFAOYSA-N 435.507 2.385 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1nncn1CC 1507705820 HGQUNNYPUIXPRQ-UHFFFAOYSA-N 444.337 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OC)c2)CC1 1507739083 MHORUINPUJGKSR-FQEVSTJZSA-N 437.544 2.195 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)CC1 1507805450 JPHMZQCKNUFDLH-AZUAARDMSA-N 443.552 2.009 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1507915961 HVVYFGHFYZIAST-KRWDZBQOSA-N 449.621 2.374 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1508076375 ZPGNAMDVMXFJHQ-HZPDHXFCSA-N 449.353 2.486 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1508079102 OBVDXWWPSVEWSE-HZPDHXFCSA-N 429.521 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 1508111243 DRLPBRVYAOFBOH-PZJWPPBQSA-N 426.565 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)S[C@H](C)C1 1508130823 JAIACSYMADZFQO-HUUCEWRRSA-N 443.639 2.128 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508163464 CYOJFPCJQJUVDW-SFHVURJKSA-N 432.638 2.283 30 10 IEEE CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1515393482 KDGFPEIWYSCFFQ-VZCXRCSSSA-N 438.488 2.435 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCNC(=O)C2CCC2)C1=O 1517400921 BTDLIERVJOKEQE-DEOSSOPVSA-N 449.559 2.038 30 10 IEEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@](C)(C#N)C2)n1 1517401065 ADYNRYWEKATWLT-SFHVURJKSA-N 444.341 2.353 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1518706682 QDKMRKOASIPBLD-MJGOQNOKSA-N 425.537 2.395 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1518749500 QPKBRIMTFSPGSL-SFHVURJKSA-N 426.496 2.392 30 10 IEEE C=CCn1cc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2n1 1536230097 SFWICJOJBIHHEI-UHFFFAOYSA-N 426.498 2.496 30 10 IEEE Cc1cccc(-n2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C(F)(F)F)c1 1538760744 FIHQPCJXTMFLDJ-SCLBCKFNSA-N 438.431 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1 1538983725 VZYNLNGQZKGEJX-YQVWRLOYSA-N 445.589 2.204 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539076715 VAYCOSZZQLJGOJ-REWPJTCUSA-N 449.603 2.056 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539224895 JXHQCINUNYFYDR-GOSISDBHSA-N 448.614 2.374 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1csc([C@@H](C)OC)n1 1539237382 CNGZORZVQPMZFU-IIBYNOLFSA-N 429.546 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(SC)CC1 1539246150 PGEYMUBWLHBTPJ-UHFFFAOYSA-N 443.598 2.164 30 10 IEEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1540113799 DFILQQKRSTUOSC-QFIPXVFZSA-N 446.573 2.178 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1540897969 WSTZQVMUSYOOEP-UHFFFAOYSA-N 448.593 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C#N)CC1 1540898719 SFFBINOOIYICTA-UHFFFAOYSA-N 430.490 2.194 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1548241436 OIHXJPRHNZYYPN-GOSISDBHSA-N 440.504 2.186 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 1556453519 CIEXZVVTXRWVJM-QGZVFWFLSA-N 433.921 2.129 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1557619508 CLVIPRNJTPRGCM-KDURUIRLSA-N 431.558 2.009 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCC2(O)CCN(c3ccccc3)CC2)c1 1557889851 QXHMBMBFHUOLBU-UHFFFAOYSA-N 443.569 2.302 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)c1 1566143647 YWZIQNZFAQSFGG-UHFFFAOYSA-N 426.542 2.289 30 10 IEEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2ccc(C#N)cc2I)C1 1584667362 RQKOSFPNSABTKO-NWDGAFQWSA-N 428.226 2.460 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1586553430 JHTRTVBIDAREJJ-UHFFFAOYSA-N 428.510 2.414 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)N1CCOCC1 1587621814 ZQVROXZEQUNOBY-QGZVFWFLSA-N 434.500 2.307 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CC(F)(F)F)CC1 1587905160 VNNLHDOVLUJYGI-UHFFFAOYSA-N 435.454 2.269 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 1588030348 SWJRZYZDJDRQSU-OAHLLOKOSA-N 444.586 2.255 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588041562 XWYGFVZJBAHKKQ-MSOLQXFVSA-N 432.546 2.432 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588064674 MTSXONDMKRENPZ-MJGOQNOKSA-N 449.646 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC(C)(C)C1 1588205461 MJKPAGYWMDIRSP-UHFFFAOYSA-N 435.528 2.248 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588420517 DLFKQFJDHBJJPK-IBGZPJMESA-N 443.621 2.036 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCOCC1(C)C 1588593741 CYDCCTAWWOQBQB-UHFFFAOYSA-N 442.520 2.050 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCOC1 1588594762 KFNYIZHBBZKWTM-OPAMFIHVSA-N 430.574 2.369 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1589089299 PDSJUGKMPPCXIR-SFHVURJKSA-N 428.562 2.345 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CCCO)CC1 1595550977 KIXDPCBJSWJESK-HXUWFJFHSA-N 441.532 2.082 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1=O 1595988619 RBHUQFJZNAZSHZ-CQSZACIVSA-N 440.422 2.425 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1597740280 VLEDRRXSEVNVDT-GUDVDZBRSA-N 444.580 2.232 30 10 IEEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1612442930 RILVDBZHCYIWDU-SFHVURJKSA-N 445.593 2.296 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1612459051 AFEFXCALQHPOKQ-QHCPKHFHSA-N 432.532 2.282 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1617331811 CVGKMQFJRAJELP-QZTJIDSGSA-N 429.546 2.256 30 10 IEEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O 1617654328 PBSHOROZYREVDK-OALUTQOASA-N 432.952 2.465 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C1OCCO1 1619911977 NBILTCKGGGGJIU-UHFFFAOYSA-N 437.504 2.139 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCOC2)CCO1 1620354963 MZNFYTIXDFNWJJ-WMZOPIPTSA-N 444.923 2.017 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(c3ccsc3C#N)CC2)c1 1620416829 AGWHZQXCXLRLAX-UHFFFAOYSA-N 438.962 2.437 30 10 IEEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(C)(C)C 1620594926 GJFFHHJBNKXAFY-UHFFFAOYSA-N 427.954 2.033 30 10 IEEE CN(CC(=O)N1CCC2(CC1)CC(=O)C=CO2)C(=O)c1ccc(Br)s1 1626982907 AZHZAONQGADBDR-UHFFFAOYSA-N 427.320 2.447 30 10 IEEE COC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1cccnc1 1627971335 AXWXGVNOAPXURJ-QOQLHOOGSA-N 428.489 2.199 30 10 IEEE COc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1631438096 JPNRKTGQGOLSPG-VKJFTORMSA-N 449.529 2.176 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1631843955 KGSUTDJIRVNAMU-INIZCTEOSA-N 427.258 2.252 30 10 IEEE N#CC[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C(F)(F)F 1638790859 NJONUIBHXGCION-LBPRGKRZSA-N 440.241 2.464 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1641910567 NFCYINYPDJHQPP-XIKOKIGWSA-N 437.294 2.085 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1646525363 AUDKCCAKGMCOIM-HNNXBMFYSA-N 444.289 2.045 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CCO2)cc1 1647997912 GPJUCTGOLXAYNF-FSSWDIPSSA-N 435.480 2.230 30 10 IEEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCO[C@H](c2ccc(C#N)cc2)C1 1648466864 QOEVPZXJQVIDTF-BTYIYWSLSA-N 436.468 2.440 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1652332241 RZTZWKCBEWISBC-INIZCTEOSA-N 445.520 2.496 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)c2c[nH]c3ncc(Br)cc23)c(=O)n1C1CC1 1653013582 DRCQTBRVBXEGNU-UHFFFAOYSA-N 428.246 2.047 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](OC)C[C@]2(C)CO)cc1 1659750951 PULIWEIRCKJLDN-AUSIDOKSSA-N 426.517 2.385 30 10 IEEE CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1660335533 FRQYKAYTKPTBKM-MNOVXSKESA-N 439.328 2.094 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 1683350776 ZCBSLFSFLIKJRM-KRWDZBQOSA-N 447.511 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NCc1ccccc1 1689830879 DFYYVXPYHPYHMH-MBSDFSHPSA-N 425.533 2.095 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC(=O)NCC=C)c1 1689873703 SVFMHQHWLHKBOF-UHFFFAOYSA-N 434.544 2.369 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1689904335 SAHMGNDFUDTUKD-GOSISDBHSA-N 438.532 2.225 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992007 FVWUMLVYTHVIQN-KNQAVFIVSA-N 430.574 2.011 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1689993803 LUCJOSVSYFQWGI-INIZCTEOSA-N 447.611 2.370 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1690104850 KPCVXTYUYCRKFJ-REWPJTCUSA-N 425.533 2.078 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690462760 OPSYAFVEWOTYSO-LJQANCHMSA-N 432.569 2.103 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690663579 ARBKWTQZJZVOCT-UHFFFAOYSA-N 432.488 2.366 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1690669872 QZJUUHGLKUXOJN-UHFFFAOYSA-N 428.562 2.308 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1 1693551412 FLDQUQJYTHYUNP-IVZQSRNASA-N 436.541 2.453 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1696763119 GJZLGQCULWCZAI-KRWDZBQOSA-N 429.546 2.114 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@H]1C 1705598391 IOSRELSOIHRDCI-NHCUHLMSSA-N 445.633 2.298 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705661990 MWFDOHUAXNGLOU-IRXDYDNUSA-N 432.619 2.488 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705723132 BCVGQACVTLWMMM-MRXNPFEDSA-N 429.912 2.336 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705725862 VRKLKVMGCJVVKN-SFHVURJKSA-N 448.564 2.469 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705804446 AYIWYOJBISWCJT-UHFFFAOYSA-N 440.596 2.169 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705821311 RJPXMGQRCMZHEE-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1705863869 JBWBWESDSKDUAD-GOSISDBHSA-N 444.605 2.489 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1705894358 WKTCEMBQKCUEPK-HNNXBMFYSA-N 426.496 2.079 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)C1 1705910617 HPLWXMFONBZEMO-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1F)C1CC1 1705934801 YAVBAKVOAHRISL-SFHVURJKSA-N 447.536 2.138 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705944195 XOETXDCWQRVDSS-SJORKVTESA-N 434.610 2.137 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)C1 1706934500 ATKLJXUFYGVLJN-XMSQKQJNSA-N 430.553 2.193 30 10 IEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C[C@@H](C)O1 1708248832 HWAHBQOCHKKCSP-KDURUIRLSA-N 440.548 2.065 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1cccs1 1712639240 CSVDQGQFGJUUCR-JKTDJZPLSA-N 435.525 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCS(=O)(=O)C1 1722292460 NOJSGZDJEAHLLQ-JKSUJKDBSA-N 425.514 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCOCC1(C)C 1722303766 SFTHPIMETBWCMO-SFHVURJKSA-N 427.549 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722348914 BBEOZCUQYZBXFZ-UHFFFAOYSA-N 436.516 2.278 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722358802 GFEYQSPRTNQNHT-QGZVFWFLSA-N 425.514 2.225 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc(OC)cc2)CC1 1722429358 KMTWZNAVTCPQHZ-UHFFFAOYSA-N 438.576 2.158 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCCCCC2)CC1 1722437189 RIASGNPEUBQGTF-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1722665105 KJHVTDIPTDDKNQ-HSALFYBXSA-N 430.597 2.495 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCS(C)(=O)=O 1722685489 DYWCOSFNWSLSFQ-UHFFFAOYSA-N 427.571 2.059 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1723792503 WZHJQJMYQJVNQT-DOTOQJQBSA-N 432.550 2.167 30 10 IEEE C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1723853352 UVEJDRWIIYHVDG-KRWDZBQOSA-N 436.589 2.474 30 10 IEEE CCN1CCC[C@H]1Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1728582433 DZUICIOPEVMTGU-SFHVURJKSA-N 439.612 2.300 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOCC2)CC1 1731186743 XKRNRXAMARCBNR-UHFFFAOYSA-N 425.493 2.316 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1740591343 OKRGZUAQEAUYGS-MRXNPFEDSA-N 449.527 2.198 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740592570 ZPCYAGJRJVGVCB-MANSERQUSA-N 435.594 2.039 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)cc1 1740640856 XVVQQRVNIWCPLY-LJQANCHMSA-N 426.542 2.089 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2CN(C)C(C)C)CC1 1740695262 KYDHEMZRNFRMGN-UHFFFAOYSA-N 444.587 2.379 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2ccnc2C)CC1 1740701032 RWQZVNSGBAYBIS-WOJBJXKFSA-N 425.581 2.157 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1740714141 WRFHMZUSIOAQLC-AWEZNQCLSA-N 434.928 2.318 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740778399 BCTPQXIIDVLVLG-HNNXBMFYSA-N 433.534 2.202 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1740795202 PMKCIDLRKSVIEE-QZTJIDSGSA-N 426.583 2.024 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740857048 BDGPYSMWXIJIEG-FQEVSTJZSA-N 431.629 2.377 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740873148 IZRYGPQMBWMDCB-UHFFFAOYSA-N 425.581 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740988965 VJVMRCCOTCLLPT-VQIMIIECSA-N 429.546 2.421 30 10 IEEE Cc1ccccc1CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742438699 XVBYYTRXLUNADO-LQTLECTNSA-N 436.516 2.253 30 10 IEEE CCCCOCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745539740 DZDJANPLFRUIIK-UHFFFAOYSA-N 449.563 2.479 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS2)C[C@H]1O 1748334155 XSYOMYBCWXWZOV-KZNAEPCWSA-N 427.530 2.073 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748638888 YPZSKYLRDFAFMS-PMACEKPBSA-N 437.592 2.085 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1748761447 YNGMDKMZNSBDCX-GOSISDBHSA-N 438.532 2.319 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1748817379 JTXAELXKXYGBNY-CQSZACIVSA-N 426.464 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCOC)CC1 1749003768 VFISSBYGLYAKQO-UHFFFAOYSA-N 425.533 2.346 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCOC1=O 1749467635 WBAUVPIFQIWSMT-UHFFFAOYSA-N 447.565 2.011 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1749559874 AOHHDYIWUYPCRA-IAGOWNOFSA-N 433.582 2.149 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2cc(Cl)cn2)C1 1749716790 BQUOPLDCSDWNSJ-SFHVURJKSA-N 430.944 2.471 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccccc2)CC1 1760111051 VZNYPCWWPAMDOP-HXUWFJFHSA-N 432.576 2.349 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOCC1(C)C 1760210622 RQVUWNBDCRYVNU-UHFFFAOYSA-N 437.544 2.049 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CCC3(C2)OCCO3)n1 1760253038 UXHZPXFOUYOJJV-LJQANCHMSA-N 442.564 2.427 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2csc(COC)n2)CC1 1760263300 VWYFXRHEAGFVGZ-UHFFFAOYSA-N 443.602 2.040 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)CC1 1760263493 DADUSSJEMZYRAT-MOPGFXCFSA-N 444.580 2.142 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(=O)NC 1760317651 INPAPXVMVPJQLW-QFBILLFUSA-N 428.493 2.407 30 10 IEEE CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1762379281 ASQXZFGHQXHGKY-HXUWFJFHSA-N 432.532 2.282 30 10 IEEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1F 1766911852 METFERFFDDXRHF-QGZVFWFLSA-N 446.552 2.174 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1767916408 GCGSYLXEZUADTG-IAGOWNOFSA-N 427.530 2.481 30 10 IEEE COc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)c1 1768773823 FQQNDLBJVXIJQV-OAHLLOKOSA-N 427.486 2.090 30 10 IEEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-n2cncn2)nc1 1769686455 KCJGEKZIAZLAML-UHFFFAOYSA-N 429.488 2.313 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1770178484 ATBRDOKFDGCTMA-JTAQYXEDSA-N 441.532 2.316 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCOC[C@H]1OC 1771110067 KTTYXJYSDGFZGH-IAGOWNOFSA-N 434.928 2.411 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772788765 GHSQROPCOSCYNG-YGBSJELFSA-N 444.443 2.364 30 10 IEEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1857034104 LPRVIVJSZBWDCC-DLBZAZTESA-N 426.542 2.387 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C)nn2CC(C)C 1864318650 BOMOOJWRBXPZAV-IBGZPJMESA-N 426.517 2.215 30 10 IEEE CCCCN(CCO)C(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869929234 CPHCOXWBUJJDQA-LJQANCHMSA-N 447.532 2.097 30 10 IEEE COc1ccccc1N1CCN(CC(=O)[C@@H](C#N)c2nc(C)c(C(=O)N(C)C)s2)CC1 1872797295 GQICYVOEUIEARR-MRXNPFEDSA-N 441.557 2.160 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccco3)CC2=O)cc1 1874198189 REZJDQPAUNEHGM-STCDJXRXSA-N 427.486 2.367 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874377743 LFSOEQRCXVDVQH-FOKLQQMPSA-N 427.461 2.239 30 10 IEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1OCC 1874435486 JOKMBUVEOXKOSY-SSDVNMTOSA-N 449.533 2.249 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC(Oc3ncccc3C#N)CC1)CS2 1891109138 JAMLDTPDDWORIO-MRXNPFEDSA-N 425.514 2.234 30 10 IEEE Cc1ccc(Cn2nc(C(=O)N3CCC(COc4nccnc4C#N)CC3)ccc2=O)cc1 1891450194 XFUVECZFNWPCAL-UHFFFAOYSA-N 444.495 2.193 30 10 IEEE C=C(I)C[S@](=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1895212085 MVLNKGQBFLJGFY-FPVGNUTFSA-N 431.292 2.440 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CO1 2060638342 VUXQQBTXBOSFHM-SMLCLMEVSA-N 436.358 2.467 30 10 IEEE CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2073248435 PXRMUJDNXGMKFS-KRWDZBQOSA-N 434.342 2.224 30 10 IEEE C=C(CS(=O)(=O)N[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247901358 JLPCJEHNUHTGHD-FOIQADDNSA-N 442.387 2.493 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254797558 ZDWMAOOESROMTH-HIFRSBDPSA-N 437.321 2.160 30 10 IEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255616650 PWGZBLDCCUULAZ-CQSZACIVSA-N 436.362 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255695673 IZJOWTORZBCCCJ-CABCVRRESA-N 431.342 2.271 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255814179 YNVRXQLALCDPPS-MGPQQGTHSA-N 449.382 2.428 30 10 IEEE Cc1nc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256640749 USRNWGOPLNCKOE-OAHLLOKOSA-N 432.330 2.422 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258955532 SBZVOYMEDJTVOS-DLBZAZTESA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)C1 2267014083 SZGHAGPMFAJHJA-UHFFFAOYSA-N 447.341 2.403 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267138246 WGBMNWDGYGQSLW-LSDHHAIUSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CCC[C@H]21 2267141329 JEBGFYPBYLELTE-CWRNSKLLSA-N 446.357 2.227 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267164935 YIHPLUJSXQULTC-GOEBONIOSA-N 446.357 2.151 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)n1 2267499308 RHVCTWJREYZRKP-IBGZPJMESA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267522941 YJYTXHWCCWHAPM-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE C[C@@H](NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268634135 GMBHPCWTLJHRBI-IIDMSEBBSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCCO1 2268716813 PWKWYHJLJOLFGT-RHSMWYFYSA-N 447.341 2.392 30 10 IEEE C[C@@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268721966 SNDHOSKNMJNNJT-QAPCUYQASA-N 448.369 2.439 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269075411 MPEZCCUHOKACOE-HNAYVOBHSA-N 440.305 2.169 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccn1 2327827023 MNOKWDTWIXBTDI-HNNXBMFYSA-N 443.577 2.288 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccccc1C(=O)O 2328684045 SQAXHYDXUFPGCT-UHFFFAOYSA-N 439.497 2.230 30 10 IEEE CCOC(=O)CNC(=O)CSc1nnc(/N=C(\O)c2ccc(C)c([N+](=O)[O-])c2)s1 8822053 QVASJXJBOLNYOR-UHFFFAOYSA-N 439.475 2.162 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC(/C(O)=N/C[C@@H]2COc3ccccc3O2)CC1 20181918 PVLQTASBXLBAKM-MRXNPFEDSA-N 435.502 2.489 30 10 IEEE O=C(C[C@H]1S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39843403 XRNAWZNRINQYBC-GDXCHIGESA-N 442.413 2.453 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F)[C@H]1CCCO1 254291038 CFVLYUWEGWPWNV-BFHYXJOUSA-N 434.461 2.486 30 10 IEEE CS(=O)(=O)N1CCCN(Cc2cccc(C#N)c2)CCNC(=O)C[C@H]1c1ccccc1 257181084 FEFJUVWPLUPADH-QFIPXVFZSA-N 440.569 2.273 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1O 442926568 WQEAWODPMIFEAX-JTQLQIEISA-N 429.376 2.468 30 10 IEEE COc1ccc(C(=O)NCCNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 446504610 HSDUCGYWFHVMAO-UHFFFAOYSA-N 437.500 2.381 30 10 IEEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)c1 484456940 OVQQVMCKBBPNHW-MRXNPFEDSA-N 431.395 2.405 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 532478712 FOTCMMRKCFAQRD-QFIPXVFZSA-N 440.931 2.360 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 534861182 VZLDFWJKGOLHGV-GKCIPKSASA-N 446.960 2.440 30 10 IEEE CC(=O)N(CCc1ccccc1)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 536417782 ZTUKYOBQWHMYOZ-OAQYLSRUSA-N 436.537 2.489 30 10 IEEE CC[C@H](C)[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 544832449 GBUCRFRNYLFUQG-HRAATJIYSA-N 431.496 2.313 30 10 IEEE COc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c([N+](=O)[O-])cc1OC(F)F 546878100 DVIBCVVXIWNNPT-UHFFFAOYSA-N 433.371 2.434 30 10 IEEE CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(c2ncccc2C#N)CC1 549439314 ANOGRXIGSIJXJR-UHFFFAOYSA-N 444.547 2.065 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCCO1 550824704 QRJMFZBZVIWZBI-GOSISDBHSA-N 426.513 2.490 30 10 IEEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNS(=O)(=O)CC3(C#N)CCCC3)c2)C1=O 556391250 ALKFRKQKOGTAIF-FQEVSTJZSA-N 430.530 2.415 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@]2(CCOC2)C1 559004792 QZJYXYUAEZPWCH-JOCHJYFZSA-N 425.537 2.024 30 10 IEEE CC(C)(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cc(F)cc(C#N)c1 575010581 XSOCHKGJKYYODT-UHFFFAOYSA-N 447.488 2.340 30 10 IEEE COc1cc(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)ccc1C#N 582997849 JACRJWRHFNBIHB-UHFFFAOYSA-N 436.921 2.388 30 10 IEEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-c4ccncc4)ccc3=O)CC1)CCCC2 585587137 LYQGJPQNHBHOSN-UHFFFAOYSA-N 441.539 2.273 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)CC2)nc1 604195425 DZGSHHKTQLQCEJ-FQEVSTJZSA-N 435.503 2.222 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1CCSc1ccccc1 727416576 UMALCYWQEQFBHH-UHFFFAOYSA-N 437.546 2.077 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cscn2)cn1 730724691 RQXRMEXUUBSHKW-CQSZACIVSA-N 442.530 2.310 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)CC(=O)N2C)cc1 734925179 YCZGNNOOXDJYAI-UZLBHIALSA-N 425.441 2.478 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOc1ccc(C#N)cc1 742103706 CTWJWCFRCPCONG-LJQANCHMSA-N 440.525 2.351 30 10 IEEE COc1ccc(/C=C(\C)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1F 755049809 NUAKRKLIMOLRNC-GXDHUFHOSA-N 442.447 2.298 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H](COC)NC(=O)OCC1c2ccccc2-c2ccccc21 757265006 LZJQOHXHJMTZLY-NRFANRHFSA-N 436.464 2.087 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 758072715 YDOLFBDYBIYBNO-UHFFFAOYSA-N 442.924 2.086 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(-c2ccc(F)cc2)n1 768068441 KTMWVUYCOAAZQP-SFHVURJKSA-N 438.507 2.446 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1-c1ccccc1 772901287 FFQGBRPYUVDVJL-UHFFFAOYSA-N 438.512 2.229 30 10 IEEE N#CCOc1cc(F)ccc1NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 779619064 HBQPVRSUVGNMEF-UHFFFAOYSA-N 430.461 2.337 30 10 IEEE N#C[C@H](C(=O)CSc1ccc2c(c1)OCCO2)C(=O)NCc1ccc([N+](=O)[O-])cc1 787052918 OQHUBFRLCAXJHJ-MRXNPFEDSA-N 427.438 2.483 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCCCC(F)(F)F 794650092 HNIYRXNEDYURGH-UHFFFAOYSA-N 444.442 2.250 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2(CC#N)CC2)C1=O 797425889 OENKCTJYGQNVSP-GOSISDBHSA-N 438.557 2.252 30 10 IEEE C[C@H](C#N)OCCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 801817413 YESFDMVJGNBTSH-IUODEOHRSA-N 431.308 2.074 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccc(Cl)cc1 810184918 FZAGUUODPAGKLJ-GOSISDBHSA-N 447.948 2.313 30 10 IEEE C=CCn1cc(C=NNc2nc(SCCC(=O)NCc3ccc(OC)cc3)n[nH]2)cn1 1084229897 IBPCMWWRTJUFNZ-UHFFFAOYSA-N 440.533 2.440 30 10 IEEE CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N[C@@H]1CC[C@H](C#N)C1)n2CC(C)C 1129979632 HHCPPZLZMXKLOQ-JKSUJKDBSA-N 428.537 2.496 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1141970445 MQGKMFQPWCDYIB-MAUKXSAKSA-N 437.562 2.421 30 10 IEEE C=CC[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OCC 1154004122 HFARLFMSAQSQTA-RBBKRZOGSA-N 449.507 2.124 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)NCc3ccco3)cc1)C2 1158216523 XFJPPPATBBABDA-UHFFFAOYSA-N 442.522 2.472 30 10 IEEE CC(C)(C)OC(=O)C1(C)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1162974012 GHCIJDUUQPGJLT-UHFFFAOYSA-N 435.546 2.086 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccnn2Cc2ccc(OC)c(OC)c2OC)CC1 1216823969 SJJMPPOMBFBZHX-UHFFFAOYSA-N 427.505 2.176 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ncc(Br)s2)[C@H](C#N)C1 1233852513 LHJGNCJECVEQQL-NXEZZACHSA-N 430.328 2.464 30 10 IEEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2nn(C)c(C)c2C#N)cc1 1277347171 NSIINDXKNYWFLJ-UHFFFAOYSA-N 429.502 2.477 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCOCC1 1286399417 GPUIJJRCBYYHKI-IBGZPJMESA-N 438.528 2.431 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286482753 YBIQOVWRHJWVFP-XMMPIXPASA-N 434.519 2.066 30 10 IEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC#C)CC1 1286496599 GUPNLERDIMRVFI-UHFFFAOYSA-N 447.406 2.168 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286777846 NGTLUMOHNPEXTN-GJZGRUSLSA-N 425.555 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286807135 KJXXKZGWQWIISW-FUHWJXTLSA-N 434.537 2.224 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCC2)C1 1286811722 HGOKKBJSRUAEMC-GOSISDBHSA-N 431.562 2.013 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccccc2)C1 1288976688 CGEFFLLXIOHTHZ-NRFANRHFSA-N 439.545 2.382 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1289343040 JVIBRRQHCUFHBA-AZUAARDMSA-N 427.505 2.008 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1295315473 WFVGJSQTYFVZQK-UXHICEINSA-N 449.559 2.180 30 10 IEEE C[C@@H]1CCCN(c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2Cl)C1 1297010113 MVEOCZCVBNVKRL-CQSZACIVSA-N 429.908 2.417 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1299235922 HKXUCUKDBQMMFM-UHFFFAOYSA-N 426.546 2.055 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(OC)C1CC1 1300284229 QQBFCPXOZCJZLP-AOMKIAJQSA-N 445.589 2.468 30 10 IEEE C#CCCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300425764 WZXWXLGQCSXVRY-IXDOHACOSA-N 430.553 2.177 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccco1)N(C)C 1300459404 RWSKECHOIHFPKK-LJQANCHMSA-N 434.548 2.417 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCOCC1 1300574626 DRNFVYVSRVRWNP-OAQYLSRUSA-N 443.555 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1300578418 CLAILJLQMOBGKC-OAQYLSRUSA-N 448.596 2.294 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300844766 SIRAOBAIHLQPAQ-KBPBESRZSA-N 439.314 2.350 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1301425222 DIHHCFRKUHLRJY-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1301527579 YVDSNPDPIGGBMJ-QUCCMNQESA-N 446.573 2.409 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1302947637 NPFKSUSFIKCSNQ-KRWDZBQOSA-N 431.491 2.494 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCO[C@](C)(C#N)C2)cc1 1308115444 YFBBQURALJWPMS-JOCHJYFZSA-N 442.541 2.060 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)c1C#N 1312912653 YEHWBGCXHWMSBR-UHFFFAOYSA-N 449.577 2.293 30 10 IEEE CN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1314747383 AAZGERJXPZLVLB-VZCXRCSSSA-N 448.462 2.037 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCCO)c1 1315342444 ISQOVRXHRMRIHK-UHFFFAOYSA-N 429.521 2.491 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1315666604 TWLFXERTAMAPCX-SJORKVTESA-N 445.545 2.113 30 10 IEEE COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1315824509 ZMVXHCGCILIUOQ-QFIPXVFZSA-N 449.534 2.442 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(N)=O)cc1 1316283755 YYQCRPGJXWOVGK-HKUYNNGSSA-N 439.520 2.281 30 10 IEEE C[C@H](OC(=O)C1(c2cccc(C#N)c2)CC1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 1319915053 DQAIGQOQQSLRJI-CABCVRRESA-N 441.509 2.046 30 10 IEEE COc1c(C)cc(C)cc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1344612142 UJMKXHUUMZCKBO-INIZCTEOSA-N 427.482 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1358887894 DIFIUQHMAXUMIE-FUHWJXTLSA-N 433.553 2.266 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC[C@H]2COCCO2)c1 1358901202 CNCNQLWHWMLVJO-FQEVSTJZSA-N 446.511 2.202 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1358926262 IXWGJVIAMDZBKF-UHFFFAOYSA-N 435.576 2.278 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1358952857 AKEXOYAXRRSAAM-UHFFFAOYSA-N 427.530 2.156 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)c(OC)c1 1358985788 HKKLVLVMZCAPOA-DEOSSOPVSA-N 438.528 2.459 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc(-c2ccco2)n1 1359023809 XJNSDTLZRZDZQQ-HNNXBMFYSA-N 426.502 2.080 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)(C)C 1359104341 AHTCEJOGDNCAHL-BWPNAZKDSA-N 449.596 2.334 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359188663 SCWVVBVOAZOSIG-INIZCTEOSA-N 425.599 2.292 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCN(CCC)C(=O)C1 1359303015 BCDYCEFWWWKBBW-UHFFFAOYSA-N 449.559 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](OC)C1 1359331093 NCMRIHIXMFFSCN-KRWDZBQOSA-N 443.529 2.426 30 10 IEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1359340195 FHRSDXPWWIKDGB-UHFFFAOYSA-N 431.562 2.168 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)CCCN1C(=O)OC(C)(C)C 1437074667 SNKYEXNOVQORSX-FDDCHVKYSA-N 435.565 2.169 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCCN1Cc2ccccc2OCC1=O 1439211020 WSIXQJHDXJNISW-UHFFFAOYSA-N 428.286 2.401 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 1442919339 JGRZJFWDCARCKZ-UHFFFAOYSA-N 425.485 2.457 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1449501677 ATCOBITYHUDTCK-ROUUACIJSA-N 446.552 2.118 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 1451449648 AMTHYMHNEBVQFU-GHTZIAJQSA-N 445.516 2.261 30 10 IEEE Cc1nc2c(CCNC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cccc2o1 1455538070 DKALBDSUIDJXPF-CYBMUJFWSA-N 426.498 2.312 30 10 IEEE COc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)c1 1456138084 APLSJHROHJQHHX-MRXNPFEDSA-N 439.903 2.317 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(C#N)ccc1F 1460793620 XPDDWWLSGKTQGA-UHFFFAOYSA-N 446.504 2.284 30 10 IEEE CN(C)CCSc1nc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1 1466735859 FONWWVRTIFSRHL-DZGCQCFKSA-N 439.607 2.215 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(C(=O)OC)c1 1475677350 QMJMNDOXRKAJIF-UHFFFAOYSA-N 436.530 2.497 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccn(C)n1 1504434294 BTILEGPUKKJGCO-NRFANRHFSA-N 425.468 2.284 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCOC1 1504873873 MCCRDMQDWMDYNY-PMACEKPBSA-N 438.532 2.180 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1504971137 BEXJZGVSQWWTRF-OPAMFIHVSA-N 426.521 2.279 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1505075341 XWBSUXYQCSYLIJ-LYNVYRENSA-N 430.553 2.047 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507603615 CPPXDDIPHKIKQH-JOCHJYFZSA-N 426.521 2.141 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCOCC1 1507652850 OREXRUYHQPSISU-UHFFFAOYSA-N 427.499 2.331 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1507749439 VRCYRLXXNCHBND-IBGZPJMESA-N 433.534 2.157 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1507756549 ZTYXQPKDGNLWGH-XMSQKQJNSA-N 425.558 2.348 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1507821378 ZUEGLLGLLIOJBC-KURKYZTESA-N 425.599 2.450 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507867115 HEXRSQHNRASPNY-MRXNPFEDSA-N 439.969 2.148 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)N(C)C)CC1 1507902048 HRIVXHDIZPOCKW-IBGZPJMESA-N 447.561 2.084 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1508018559 GETCTTKLQJVTQN-IBGZPJMESA-N 431.562 2.146 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508075198 WIROALJDTSTAAW-QFBILLFUSA-N 444.967 2.058 30 10 IEEE CC(C)C(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508801948 JWQOWZWZGNHKFU-FQEVSTJZSA-N 427.597 2.350 30 10 IEEE C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1510034794 QBGJLLHEHPJFTG-FOIQADDNSA-N 429.456 2.016 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCc3nccs3)CC2)c1C#N 1511660948 BEGVTYOIXGXTSJ-UHFFFAOYSA-N 439.593 2.416 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)C[C@@H](C)O1 1518912410 ASOPYCDZJWFSCR-UTKZUKDTSA-N 435.532 2.423 30 10 IEEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1519058577 CWOJOIKXCZLDCZ-UHFFFAOYSA-N 441.555 2.461 30 10 IEEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1526174567 CCZFMTGNSOYNEW-LBPRGKRZSA-N 440.447 2.464 30 10 IEEE COc1ccc(CNC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1526799690 FLEPOUBWILRLOM-MRXNPFEDSA-N 440.887 2.006 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 1537529997 WSOBLILXARUNAY-SFHVURJKSA-N 447.557 2.130 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539206942 XVFXCDVERLNTBV-WOJBJXKFSA-N 442.585 2.483 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1NC(=O)CC1(C)C 1539242575 XLXGYNYCJDIIML-FQEVSTJZSA-N 427.512 2.323 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539621957 DDFSARXZVCCSPN-XCJLJZCSSA-N 426.517 2.287 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1539733989 XVLKCTFOHJYHBB-KXBFYZLASA-N 445.486 2.400 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1539779355 VJRLSUJUXPVYSN-DLBZAZTESA-N 440.976 2.337 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCCC)CC1 1539828439 KETLQKBZWQWUBV-MRXNPFEDSA-N 434.566 2.277 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540874572 LHDIPIGSYORIGQ-RTBURBONSA-N 425.533 2.331 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1540875560 PPNZSKRBYRDPJX-AWEZNQCLSA-N 448.980 2.228 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1540913918 XSGYTLCABMYUKA-OAHLLOKOSA-N 426.546 2.336 30 10 IEEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1546785694 CFZVTCQOAHBHHT-ONEGZZNKSA-N 435.532 2.357 30 10 IEEE CCCNC(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1547245837 DOTGIXKOKJEFIL-IBGZPJMESA-N 426.521 2.180 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547748995 IBVNYAUXQYRJKR-GOSISDBHSA-N 441.605 2.269 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1555266880 MRBSKAMQTACWEN-IBGZPJMESA-N 428.512 2.496 30 10 IEEE CS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555806892 MOQPMXIWIRZSGE-QUCCMNQESA-N 436.541 2.052 30 10 IEEE Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 1556782813 SWNLIYHZDSJXPZ-CZUORRHYSA-N 438.322 2.106 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1557978505 VKMKLOIBMDGCGN-UHFFFAOYSA-N 426.408 2.076 30 10 IEEE C[C@@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 1558686395 QUWSSCXQQBMEIN-WOJBJXKFSA-N 436.350 2.121 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1 1559012703 AWFUTISZOPANNE-INIZCTEOSA-N 432.933 2.133 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)cc1 1561578352 MFYZKODLOROXGF-UHFFFAOYSA-N 440.518 2.468 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3nnn(C)c3C(F)(F)F)c(C#N)c2N)cc1 1566186900 UGYHRMROZFZWAR-UHFFFAOYSA-N 432.410 2.145 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)COC)CC1 1587739223 RTEVMOSGAWNMOI-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1588967990 DJMVSAKWNXPTOI-FQEVSTJZSA-N 440.617 2.493 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1589662653 ADMILGLNTCCHAB-INIZCTEOSA-N 446.556 2.166 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2C2CC2)CC1 1594193479 QQACXUZKKOUBPF-VQIMIIECSA-N 436.626 2.308 30 10 IEEE C#CCN(C(=O)CNC(=O)c1ccccc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1596142090 OBGRPHMYDHHSDZ-UHFFFAOYSA-N 429.517 2.286 30 10 IEEE C=CC1(CC(=O)NC2CCN(S(=O)(=O)CCC)CC2)CN(C(=O)OC(C)(C)C)C1 1596907478 YYTBOHMEAGNUBU-UHFFFAOYSA-N 429.583 2.120 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCCN(c2ccccc2C#N)CC1 1611469051 JTFYZWNOJJINPH-JPYJTQIMSA-N 428.533 2.357 30 10 IEEE Cc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612568885 RGQFTQGRIRLNQX-DQRAZIAOSA-N 435.532 2.218 30 10 IEEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1617190400 JZYVGNQKAFFYJA-FQEVSTJZSA-N 441.557 2.382 30 10 IEEE CNS(=O)(=O)c1cccc(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 1625386552 YDILGTHBFHGHDE-QGZVFWFLSA-N 438.550 2.188 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1626233563 QBDLDMAGHTVJRB-AWEZNQCLSA-N 425.327 2.176 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)ccc1F 1627024502 BWHWRCWCGGZXBV-UHFFFAOYSA-N 446.460 2.065 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)Cc3ccccc3)n[nH]2)c1C 1630950018 UWQWJRUKFDEKOH-UHFFFAOYSA-N 427.530 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C2)C1 1633151716 ZARPHSGZHSMDSS-LZUBYRBGSA-N 441.397 2.448 30 10 IEEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1634983848 KGSISKBUJKKVMU-JEBQAFNWSA-N 441.509 2.419 30 10 IEEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CN(C)NC1=O 1637280398 BKQZNATXQFTIHM-FCHUYYIVSA-N 448.523 2.321 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3cccc(F)c3)no2)s1 1639675967 NWBYCGFMYPMBSO-UHFFFAOYSA-N 436.490 2.260 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCCCCC1 1639822165 UMTJQXBAAKCELY-XGHQBKJUSA-N 439.578 2.247 30 10 IEEE COc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc(Cl)c1OCCC(C)C 1646146822 CAADJKNLABEUBA-UHFFFAOYSA-N 434.880 2.337 30 10 IEEE C=C(Cl)C[C@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1648779043 FDFYCHARLSGGOQ-VJIACCKLSA-N 449.935 2.091 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1649538090 MQPQTYCMXBRZIN-GBXCKJPGSA-N 445.608 2.423 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1668878438 CPGAUZHXUKFTOH-UHFFFAOYSA-N 442.545 2.384 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1676294086 YTWRYLJYFKBVTL-FUHWJXTLSA-N 428.537 2.478 30 10 IEEE C#C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccc(Br)cc1 1683681562 QVKCPVMDMBUGMF-KSSFIOAISA-N 433.350 2.118 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)CC2)c1C#N 1685438038 OEJCYUAKCNGUFL-QGZVFWFLSA-N 445.568 2.077 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCCC1 1689949146 RQWOFCMLMQQKSD-UHFFFAOYSA-N 440.367 2.463 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1689955542 LTCUQTOOJAKPLR-XDOYNYLZSA-N 427.468 2.089 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCCCC1 1690009261 ZPOUNWHLHOPNRO-UHFFFAOYSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1690031657 SRXJMAGOPQRQGS-UHFFFAOYSA-N 427.574 2.337 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2OC)CC1 1690116009 ZFEZEJBJDXWXML-UHFFFAOYSA-N 443.511 2.032 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOCC(=C)C)CC1 1690117389 FTPAGLIEWHZQGZ-UHFFFAOYSA-N 425.533 2.310 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 1690125254 DJMKHNRJJVYZOV-OAHLLOKOSA-N 437.441 2.327 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)CC1 1690411254 ISEFOPBGTDVMBW-GOSISDBHSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1690497522 SCWKRAVZGZFPPS-UHFFFAOYSA-N 449.625 2.012 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C)[C@@H]1C 1690674328 XDNJIVUXIMLHSD-JKSUJKDBSA-N 425.562 2.149 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1690918071 OKOFPMWUVFPSII-PZJWPPBQSA-N 436.516 2.179 30 10 IEEE CCn1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC#N)CC2)c1=O 1695793128 GYYKYOZDUONBIQ-UHFFFAOYSA-N 434.548 2.500 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)c1 1697299336 NVLPDSFOFJPJDM-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccc(C)cc1 1698135516 PLWYSIIWFJSGAL-VGOFRKELSA-N 444.511 2.183 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CCC1 1705607344 ZQBXTEVOQAQBBB-NDEPHWFRSA-N 434.587 2.109 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCC(=O)NC(C)C 1705619196 KBUPMIXABSJVLZ-UHFFFAOYSA-N 428.512 2.110 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1cc(C)oc1C 1705630335 PFLZEGMPAYPRNG-HSZRJFAPSA-N 440.548 2.343 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1705662154 ROYLHIPYXORZAQ-LJQANCHMSA-N 430.599 2.152 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)C1 1705709388 OKOPNXVYEDYQPF-IIBYNOLFSA-N 443.573 2.496 30 10 IEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705831004 ZRAXLBWQYPKZBE-HXUWFJFHSA-N 447.580 2.188 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1705890897 OPQREJGSGJRDCN-HNNXBMFYSA-N 445.536 2.203 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705902805 JTLUMBJCKYXMHZ-MOPGFXCFSA-N 427.553 2.129 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705943832 LMTMLLCIRWFKCS-INIZCTEOSA-N 436.607 2.086 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOCC2(C)C)CCOC1 1706069282 ZTAMGWBZBZGVGR-XMSQKQJNSA-N 434.585 2.025 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1709829160 HNLHYVRZHVOYND-GAJHUEQPSA-N 438.532 2.117 30 10 IEEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@@]1(O)CCOC1 1710708306 JRRZGVLPRXLVSG-OFNKIYASSA-N 425.533 2.297 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC[C@@](F)(C#N)C2)C1 1711273921 KADWIYZOOFAMBC-RTBURBONSA-N 449.328 2.216 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722376853 FNUONCXXBVTXNA-IBGZPJMESA-N 447.461 2.290 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1722438157 ZIQXPVVDNMETMD-IMSXRSKXSA-N 428.625 2.438 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(CCOCC)CC1 1722489121 PNPXEIPQANURST-UHFFFAOYSA-N 435.370 2.331 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722507930 QNBOBTDEFVHDAW-MJGOQNOKSA-N 437.610 2.435 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1722537582 OLSRMXXKPPZZAK-SFHVURJKSA-N 434.537 2.475 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cccn3)cc2)CC1 1722559688 FIUUJBGJOZCDSS-KRWDZBQOSA-N 441.561 2.279 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722590734 IOQOZMDBZGYZBU-IRXDYDNUSA-N 425.599 2.150 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722618691 UOXFMZLZTGKAEN-IRXDYDNUSA-N 434.566 2.297 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(=O)NC 1722675913 VDIGDONXMTZOOQ-UHFFFAOYSA-N 428.537 2.114 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@@H]1OC 1722676964 PWVABLJWOVYAEG-NEWSRXKRSA-N 429.521 2.109 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@@H]1C 1722693909 FAGJUMQWCGYMNV-NSHDSACASA-N 426.340 2.296 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1726739854 FAAYUMCNWLDNBH-ZHALLVOQSA-N 438.532 2.068 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1728468476 CONWFXWZNSSMCP-IBGZPJMESA-N 431.500 2.364 30 10 IEEE COc1cccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1730252924 BCQGJLHELBKPBQ-UWJYYQICSA-N 434.500 2.469 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740598264 KGLDYMSYLXVMAS-SJORKVTESA-N 430.553 2.229 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740615883 MZXMLCDQOMPKGQ-KRWDZBQOSA-N 446.573 2.290 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740616192 VOJNLKTZTOVBKN-XMSQKQJNSA-N 448.564 2.249 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740623318 RFKUVPDYCGTDOA-OALUTQOASA-N 444.605 2.006 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-n1nc(C)cc1C 1740684468 SAHLDRODRNTXGP-HXUWFJFHSA-N 447.543 2.166 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1740728771 NAQRSJNDTAEHJV-JOCHJYFZSA-N 436.541 2.222 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1740758800 BZFGUAWPGADMSL-QFBILLFUSA-N 445.593 2.076 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)CC1 1740764757 YMEOERWGWLKZOA-GHTZIAJQSA-N 430.574 2.450 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@H](C)C1 1740790317 QWNRUZLYLYBEIP-GOSISDBHSA-N 443.548 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2cc(F)cc(F)c2C1 1740993190 ZCBBMMIWQKBRRD-OAHLLOKOSA-N 438.500 2.224 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1748785067 LPSSYQLNBVTOJE-AWEZNQCLSA-N 430.509 2.331 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748804768 KUCAFSAVMXYODY-SQNIBIBYSA-N 433.578 2.314 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748811359 FIONWFDNRCBOPI-GOSISDBHSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN1CCC(O)CC1 1748830117 OWDFXOSCGXLKPA-LJQANCHMSA-N 439.535 2.477 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCS1(=O)=O 1748917749 KTJHHKNTHZTYLM-UHFFFAOYSA-N 425.917 2.233 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1748993772 LEXWCJGIAOIDOJ-UHFFFAOYSA-N 435.557 2.225 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(CCO)Cc1ccccc1 1749136555 PFRLMKXDRVJXDV-REWPJTCUSA-N 439.560 2.381 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1749634868 LQHQKXODUSDBGE-FPOVZHCZSA-N 437.592 2.267 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1749740185 AIHWDVMVUJPOOL-HNNXBMFYSA-N 449.581 2.420 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760100074 QLFDMHWTFSJATF-LVBDUCALSA-N 433.597 2.276 30 10 IEEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760176402 JUGKGKXEEHTTNJ-QFIPXVFZSA-N 447.587 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)Nc1ccccc1 1760211457 HXNBIBFZLYQYLL-DEOSSOPVSA-N 435.528 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](F)COC)CC1 1760267681 WIJQNILNGXKVEI-HXUWFJFHSA-N 427.524 2.458 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1760288833 KNJCPUCHALFKAQ-JLTOFOAXSA-N 437.516 2.401 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760291320 KIBGEVLWORFBIY-KSFYIVLOSA-N 442.951 2.481 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1760756257 FKMNXMBURMLZFS-MRXNPFEDSA-N 446.577 2.384 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1761258047 FZVOGBHCZGFCJO-SFHVURJKSA-N 432.532 2.144 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1764565869 RYBHJPPADWKTOD-OAHLLOKOSA-N 447.337 2.271 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1OCCC1(C)C 1767943649 ZMFLPFKTJAJPQV-SJLPKXTDSA-N 440.552 2.006 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC[C@@H]1C 1769113928 MCZBCQSJFPSZEZ-DBVUQKKJSA-N 427.505 2.005 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1C 1769896179 HETWIXDERAZCSH-QFBILLFUSA-N 446.502 2.398 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC2)c1 1769921585 HCYVIAOOHJICGO-HXUWFJFHSA-N 426.521 2.177 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1769996677 ZLQRZRHONOAPKS-GQWLDOHISA-N 435.475 2.491 30 10 IEEE COCC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770980556 AJVDAZBULGMAHR-QFIPXVFZSA-N 428.512 2.280 30 10 IEEE COc1ccc(SCC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1OC 1851376766 MGYHUFZGRMRBLK-UHFFFAOYSA-N 442.541 2.428 30 10 IEEE N#Cc1cccc(C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)c1F 1852318253 AOHRGWKKPDLQFX-GOSISDBHSA-N 444.484 2.460 30 10 IEEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855080755 HMIPEEYPNUTJKA-MSOLQXFVSA-N 430.574 2.081 30 10 IEEE C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(Cc3ccccc3)c(O)n2)CC1 1859430016 RLOLMRSMWMMSOR-KRWDZBQOSA-N 443.511 2.189 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2C(=O)O)c1 1862701366 CJSXZAHHKUUGJK-IBGZPJMESA-N 438.436 2.108 30 10 IEEE Cc1cc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)ccc1Br 1870151048 KQRVYNORWMEMOP-GFCCVEGCSA-N 431.294 2.405 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CSc1nnnn1C 1870210571 LNIOYGJYDHVNRV-UHFFFAOYSA-N 440.529 2.484 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccccc1 1870586142 WXSQPPQGEPXEQW-UHFFFAOYSA-N 437.540 2.308 30 10 IEEE COc1ccc(-c2cn3c(CCC(=O)NCC#CCN4CCOCC4)csc3n2)cc1 1889752766 GKRAMAVTOMBMMT-UHFFFAOYSA-N 438.553 2.456 30 10 IEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)C1CC1 1936399070 GYBDBSMWVDGKNS-JTQLQIEISA-N 442.042 2.032 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751765 IGUXPLPJKWTYEM-CPBBTPEFSA-N 436.358 2.442 30 10 IEEE CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124524434 RTMLNZFRMCAWKR-SFHVURJKSA-N 446.353 2.488 30 10 IEEE C=CC[C@@H](CO)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 2202058461 VDMCPCLUVPTKQB-MRVPVSSYSA-N 428.146 2.257 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2224094342 RMRHXCDRPBQZIY-UAGQMJEPSA-N 431.342 2.109 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2247963275 WDCYRKIDWAHRIB-ARFHVFGLSA-N 442.387 2.349 30 10 IEEE COC(=O)[C@H](CCNc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255367400 CMUQEMKRNPEUDJ-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 2255833352 BJHIROOEJUKETN-QGZVFWFLSA-N 426.370 2.453 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(=O)OC)Cc1ccccc1 2255835829 QWBVOGAQJFDJQQ-UHFFFAOYSA-N 427.310 2.018 30 10 IEEE CCN(CCCOCc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255844465 XEJURAMGOSRHCJ-UHFFFAOYSA-N 428.342 2.183 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256914158 VHHOZDVXLQKSDB-XJKSGUPXSA-N 446.334 2.231 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267183673 HSWJEJINBMHQCZ-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2267227548 BUGZEEGSBUAHTO-ZWKOTPCHSA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267266245 OACDVHHEAHQKCM-FUHWJXTLSA-N 446.353 2.255 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267270217 KENTUXBVMPRWHI-NJAFHUGGSA-N 443.353 2.366 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCCC23OCCO3)OC1(C)C 2267468117 ICKVXNZICGZNKP-OAHLLOKOSA-N 429.369 2.011 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)n1 2267498479 UWYAPOPGIKHFQV-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267503409 CUFPEQZBFOUURM-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267503693 HUWRLPZMMYCBLG-IBGZPJMESA-N 438.381 2.422 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267510010 DYOSHMMSXXOXBL-LJQANCHMSA-N 438.381 2.422 30 10 IEEE Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267510415 KYSUNTPYNWHZPU-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876495 NDXCXGTUDVDYRL-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646133 XJNSUACZGRYLMF-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCCO1 2268662875 FGZFJOXVZYCNMR-QFIPXVFZSA-N 447.341 2.393 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268714848 MVMIJXQBOIAREX-OAHLLOKOSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2271458381 CKOASYUVIRLYOO-UHFFFAOYSA-N 449.401 2.364 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278809679 PCDMABIJKGBIHI-YJBOKZPZSA-N 443.363 2.210 30 10 IEEE Nn1c(SCC(=O)NCc2ccc(F)cc2)n[nH]c1=NN=CC=Cc1ccccc1 2313701649 PIGGCIGBIODUCJ-UHFFFAOYSA-N 425.493 2.073 30 10 IEEE COc1cc(C=NN[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccc(C)cc1C 2320842368 DWQZZPNFJGAFBX-SFHVURJKSA-N 445.541 2.440 30 10 IEEE COc1nc(N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786562 NEZUAJFEGQMNBN-GXTWGEPZSA-N 443.275 2.283 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 11242500 HDYZYIDDTUBCRM-IIBYNOLFSA-N 435.546 2.073 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCCOc2ccc(C#N)cc2)C1 16164152 YTLSILXOLNZBNI-QGZVFWFLSA-N 433.486 2.186 30 10 IEEE O=C(/C(=C(\S)NCCN1CCOCC1)[n+]1cccc(O)c1)c1ccc(Cl)s1 22694394 IXCLZKJELJKLOC-UHFFFAOYSA-O 426.971 2.255 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)CC1 32275131 LNGVIJUDINNZCK-UHFFFAOYSA-N 436.516 2.332 30 10 IEEE C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](c1cc([N+](=O)[O-])ccc1F)[C@@H](C#N)C(=O)N2 72444534 XCKWHVJEBFUNIZ-YVLXSGLVSA-N 426.408 2.420 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 107561811 SHNPOGMTDIKILG-CALCHBBNSA-N 444.557 2.090 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 409472094 VNWVUQVKCQRIOO-HSZRJFAPSA-N 446.507 2.009 30 10 IEEE COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(-c2ccccc2)cc1 409568805 ZESVBUCWRNQCNY-VQTJNVASSA-N 429.498 2.017 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1 429574116 PASFFPUDTCWIBG-KRWDZBQOSA-N 439.497 2.086 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(C#N)cc3)C2)cc1 460276821 PFHCOXRPUJNWNS-IBGZPJMESA-N 427.526 2.463 30 10 IEEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 466687341 WGSHFLJEJVCANS-UHFFFAOYSA-N 425.836 2.125 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@]3(C)CCCN3Cc3ccccc3)CC2)c1C#N 472054196 TUCZWVDNDDLVCH-XMMPIXPASA-N 435.576 2.487 30 10 IEEE N#CC1(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 479250973 SOGHCDFBZPTMPN-UHFFFAOYSA-N 431.456 2.464 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 483499379 AMWLTFGVTCSTOJ-RBBKRZOGSA-N 443.931 2.483 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 504897879 NCAANCRZNZADFL-MRXNPFEDSA-N 426.904 2.444 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)c1OC 522673292 DDXFDCQOWKHYDX-UHFFFAOYSA-N 426.538 2.455 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C)cc1 523815186 YKTBFUBJUSBYAX-LADGPHEKSA-N 432.524 2.431 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCCNS(=O)(=O)CC1(C#N)CCCC1)CC2 544714779 SGBQFFHZCIBKMA-UHFFFAOYSA-N 449.573 2.372 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(C(=O)O)c(Br)c2)cc1 544943876 XHJCBXZGCFJMPU-UHFFFAOYSA-N 425.260 2.376 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)CC2)n1 546168438 KZOLUNOEHQWUQW-HXUWFJFHSA-N 447.539 2.310 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3Cc3cccs3)CC2)nc1 549866541 FBFKCBKRGIQDJC-GOSISDBHSA-N 437.529 2.069 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 555255904 PGFNGQSOVGRNBS-UHFFFAOYSA-N 449.577 2.399 30 10 IEEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)Cc1cnccn1 555256556 YDKXQIQJFDWNCJ-UHFFFAOYSA-N 446.559 2.239 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCc3ccc4ccccc4n3)CC2)cc1 555957807 QDFJVYQMWJASOX-UHFFFAOYSA-N 427.508 2.457 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 608866422 ODJFMUIFRYMBQO-KRWDZBQOSA-N 429.546 2.164 30 10 IEEE N#C[C@@H]1CN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CCN1C1CC1 732650621 ZWUHZTNFWFDUND-GOSISDBHSA-N 434.537 2.006 30 10 IEEE N#C[C@H]1CN(C(=O)CSCC(=O)Nc2cccc(Br)c2)CCN1C1CC1 732679134 RLMSJGGKXGPSFZ-INIZCTEOSA-N 437.363 2.320 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 735348816 IXRLSWXGSSBQTI-UHFFFAOYSA-N 436.873 2.294 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CS(=O)(=O)c3ccccc32)C1=O 747785813 BQKPGKGWQIAWMV-CVEARBPZSA-N 447.513 2.422 30 10 IEEE Cc1cc(C#N)ccc1C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 748835363 XRYYDNZMAOZTBN-UHFFFAOYSA-N 431.426 2.015 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 752832938 GLBCBFGWTLNQGY-KRWDZBQOSA-N 447.561 2.025 30 10 IEEE C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(NS(C)(=O)=O)c1 753910466 KONRSFHYMQLBKG-HNNXBMFYSA-N 438.513 2.405 30 10 IEEE C=CCn1c(-c2cnccn2)nn(CN2CCN(C[C@@H]3CCCCN3C)CC2)c1=S 765010404 MWSVDOAHZYBMNW-SFHVURJKSA-N 428.610 2.116 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnc(CC(C)C)s2)c1=O 772896563 CSZORXQFMIDUQW-UHFFFAOYSA-N 430.599 2.170 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)n1 790108751 DQJWWGHTRAWEQM-UHFFFAOYSA-N 432.406 2.405 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 791029594 HLDKPQVNLGBQRZ-UHFFFAOYSA-N 445.520 2.085 30 10 IEEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(Cl)ccc1OC 792785785 ZFMPZJRAHJZMFH-QGZVFWFLSA-N 436.965 2.371 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)Cc1cccc(OCC#N)c1)c1ccc(S(C)(=O)=O)cc1 797583091 PQUFHJZUMYYYEN-JOCHJYFZSA-N 444.509 2.130 30 10 IEEE N#CC1(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCN(Cc2ccccc2)CC1 798337554 TZSCBGGJZMJFPU-UHFFFAOYSA-N 432.933 2.276 30 10 IEEE COCCNC(=O)c1c(NC(=O)COC(=O)c2cc(C#N)ccn2)sc2c1CCCC2 803849390 DTUUMBHJEUCZHE-UHFFFAOYSA-N 442.497 2.065 30 10 IEEE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 805584422 CZCXLMZNUMVHBX-WMLDXEAASA-N 438.459 2.454 30 10 IEEE C=CCN(C(=O)CCc1nc(O)c2cnn(C)c2n1)[C@@H](Cc1ccccc1)C(=O)OCC 1128112294 QSMXKFPHEGVNSH-SFHVURJKSA-N 437.500 2.191 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H](c2cncn2C)N(C)C)cc1 1141966554 FUSGLUNTKCWRMA-QUOHCSHWSA-N 446.577 2.255 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cc21 1156253118 AVOKLDJUQMXIQZ-GOSISDBHSA-N 433.516 2.287 30 10 IEEE C[C@@H](CC(=O)NCc1ccc(C2(C)OCCO2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1170799649 NBKPMDDDXBWJKO-HNNXBMFYSA-N 443.525 2.040 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CCC1 1255362409 DUSGYEOSNCODAN-QGZVFWFLSA-N 448.593 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286273395 DUVZYYKEPGQQPL-ZHRRBRCNSA-N 428.489 2.196 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1286386650 FJKIVTSJMJDFPW-IBGZPJMESA-N 443.573 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388809 VPWMOYUGLFBKEO-KNQAVFIVSA-N 428.558 2.387 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccccc1OC 1286462354 IFUUTQWEUHRHJF-UHFFFAOYSA-N 437.500 2.343 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)NC(C)C 1286463409 FXOLTTQJKLQDRE-UHFFFAOYSA-N 434.338 2.318 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)N(C)C)CC1 1286492544 LQWHAYURAZPUMY-LJQANCHMSA-N 438.576 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2csc(CC)n2)CC1 1286493260 MUVXKOHUOUPXFY-QGZVFWFLSA-N 442.589 2.205 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1286518170 ZRUONUAZSZSEQZ-JLTOFOAXSA-N 435.525 2.076 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(=O)N2)CC1 1286656448 WJLOBFPGRVXOSW-QGZVFWFLSA-N 429.546 2.030 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(N)=O)c2)C1 1286812414 OVRCWOCKAZJSHV-OAQYLSRUSA-N 432.528 2.387 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286826881 WKEDLHGNJBIUBF-OAHLLOKOSA-N 442.549 2.298 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1292592462 CNULKISZUNKEHE-UHFFFAOYSA-N 448.531 2.313 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 1296946449 GPXLMVVBJIHERJ-UHFFFAOYSA-N 431.539 2.151 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1300302485 AIYHLGAPLKZQFJ-HNNXBMFYSA-N 445.531 2.192 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1300382402 SCYUZMAJQCYVGO-UHFFFAOYSA-N 435.507 2.265 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1300494270 ZQVUGOLQNPLGOW-KRWDZBQOSA-N 433.603 2.488 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc2c1OCCCO2 1300506020 LPZNJOWRUNUMAI-UHFFFAOYSA-N 435.528 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1NC(=O)CC1(C)C 1300569215 GLPDQYRWPHNMNP-HXUWFJFHSA-N 433.512 2.094 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1301012438 CJGITJQDOZFSMQ-UHFFFAOYSA-N 428.345 2.183 30 10 IEEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)Cc1ccon1 1301278277 KDUWZQGXBHAOQB-UHFFFAOYSA-N 442.501 2.421 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC 1301287815 ZLWZKHZUQRSVBH-UHFFFAOYSA-N 433.582 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301490653 XJPGCINBXZWGBO-MRXNPFEDSA-N 430.940 2.205 30 10 IEEE COCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1301551457 LYRZHDBRGGVWHE-KRWDZBQOSA-N 432.912 2.017 30 10 IEEE COCCN1C[C@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1301861977 BSWPLYZUXICZQF-XXBNENTESA-N 440.523 2.000 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1302148191 MDGSWEQVWHRKAM-HXUWFJFHSA-N 440.548 2.317 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1313644908 XAFGNXRYZVMXFT-UHFFFAOYSA-N 441.536 2.394 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1316201302 MKLBZAMVCWXUQG-MRXNPFEDSA-N 444.536 2.210 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1316309121 AAXQSFMPHBLVOH-QGZVFWFLSA-N 449.515 2.395 30 10 IEEE CSC1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1316412051 WDWKDKLSLHWUTN-KRWDZBQOSA-N 432.619 2.487 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCCCO)CCN1C1CC1 1316538310 JLXOXHKJBAJWRG-LJQANCHMSA-N 430.940 2.174 30 10 IEEE C=CS(=O)(=O)CCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1338368988 NASVVBNUYAANDP-JZJYNLBNSA-N 427.548 2.167 30 10 IEEE CCOc1ccc(NC(=O)c2ccc(C#N)c(OC)c2)cc1S(=O)(=O)N1CCOCC1 1349317641 PFRXBSGRHDKGNJ-UHFFFAOYSA-N 445.497 2.239 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1358891838 NKRHQDKKNQHECU-RBUKOAKNSA-N 444.580 2.306 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358962621 TWQAKGMIPOFNCY-LZNRXBQRSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC(=O)N(C)Cc1ccccc1 1358980628 DABAJRQJPCLPAY-UHFFFAOYSA-N 432.553 2.365 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc(C(F)(F)F)cs1 1358992176 CMULHCBGMJRYTB-ZDUSSCGKSA-N 436.463 2.410 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359060565 ZSQQVTNHOHRXSO-UHFFFAOYSA-N 443.621 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](OCC)C1 1359296438 JGYJRTDLIQMIQY-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359346015 YECSERDENGCBQZ-INIZCTEOSA-N 431.562 2.452 30 10 IEEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1359457278 COWVSWHSOVKJQP-UHFFFAOYSA-N 434.504 2.250 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=CS(=O)(=O)CCC2)cc1 1441887831 HHEQUEQONZPVPB-UZYVYHOESA-N 439.559 2.311 30 10 IEEE Cc1cnn(-c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(N)cc2F)c1 1447488247 UDALKXGIHYTRLF-DYVFJYSZSA-N 428.468 2.391 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C)C(=O)OC 1451176305 AZXFELJVNIQONM-ZBFHGGJFSA-N 432.473 2.051 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)Cn3cnc(C#N)n3)c3ccccc3O2)C1 1456875895 BPXPCNISXXDALU-KSFYIVLOSA-N 438.488 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ncn(Cc3c(C#N)cccc3[N+](=O)[O-])c(=O)c2CC1 1459039182 NRBOVZIIZJOMRF-UHFFFAOYSA-N 425.445 2.407 30 10 IEEE N#Cc1ccc(CN2CCCN(S(=O)(=O)C[C@H]3COc4ccccc4O3)CC2)cc1 1462757771 IFEPHBZEPKPMRD-HXUWFJFHSA-N 427.526 2.236 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 1468557659 IGDMIAMNYFKVQZ-HNNXBMFYSA-N 431.470 2.126 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)nc2C1 1469190179 ZVGIVJMNHOFJJD-SNVBAGLBSA-N 437.474 2.110 30 10 IEEE C#CCN(C(=O)Cn1cnc2sccc2c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1471882899 WFZQXFZNXXTWHH-UHFFFAOYSA-N 430.530 2.319 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)cc1 1479151592 GCGVERVYWSYPIP-UHFFFAOYSA-N 447.495 2.363 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCN3CCC[C@H](C)C3)CC2)c1C#N 1492727730 FFSZBRDCMZVRSY-SFHVURJKSA-N 439.612 2.339 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1494878608 HBUFQPPOKHCFIP-IWMITWMQSA-N 439.499 2.160 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)C1CCC1 1503461430 AVHOHBZMCGYHRM-UHFFFAOYSA-N 432.532 2.493 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCC[C@@H](O)C1 1504886255 BMCKCIIHOLVUSV-AZUAARDMSA-N 437.548 2.434 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCC[C@H](O)C1 1504886261 BMCKCIIHOLVUSV-QUCCMNQESA-N 437.548 2.434 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1507581423 VLJHPEPCCRPIPO-RHSMWYFYSA-N 446.437 2.490 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(C)cc1 1507653104 LLVCZTJSJDIMJJ-MOPGFXCFSA-N 426.542 2.029 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCc1nc2c(s1)CCCC2 1507655976 AWAMLXDGNOJALK-UHFFFAOYSA-N 436.585 2.441 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)NC 1507707373 VXESXTRUFMOETB-UHFFFAOYSA-N 438.301 2.069 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1507752298 XXRLWAHOLMDMPB-FQEVSTJZSA-N 439.585 2.419 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1507773521 RYRMGSIJOQIYSH-YHYVQYDKSA-N 428.558 2.080 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cnccn2)nnc1[C@@]1(OCC)CCOC1 1507812751 YWMZOVGUNWTMTB-ZWCUEREDSA-N 428.537 2.338 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507942644 RTFRVENARSNPDZ-FQEVSTJZSA-N 429.521 2.270 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1509735566 DTJKUEIBBDEWLE-CVDCTZTESA-N 438.532 2.116 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCn2ccnc21 1509967651 BGENFNUVKHGSCX-FUHWJXTLSA-N 448.531 2.203 30 10 IEEE CN(C)C1(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CCOCC1 1517001008 ZHEUIXGDYJGGKC-UHFFFAOYSA-N 439.564 2.221 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1OC 1521186276 WBZLNHKGNMLXTH-RVKKMQEKSA-N 449.504 2.323 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C#N)c(C)c3ccccn23)cc1 1532937911 KKKIROZISBLZKW-UHFFFAOYSA-N 439.497 2.337 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539212298 UIQYPVDPNDOLJZ-GOSISDBHSA-N 445.564 2.197 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1539221892 SEHJWSKGQQMWQA-QGZVFWFLSA-N 447.536 2.176 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1539223179 ZKCMMNRVSHSYSD-GJZGRUSLSA-N 443.367 2.055 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1539430031 GOMTZPAMZXAJQC-ROUUACIJSA-N 442.530 2.200 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1539534442 RJIKDGTVMCJUHG-YADHBBJMSA-N 439.589 2.355 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1539557463 UQQGMPRPGYCTCT-RYLXDESZSA-N 435.594 2.039 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539595184 TVQWBLFBSXKRDO-LSDHHAIUSA-N 449.357 2.188 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539997949 XJSNYRQDMMGBIR-IBGZPJMESA-N 440.596 2.168 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540875794 YCJQAQCIUFHWNU-SFHVURJKSA-N 443.523 2.430 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1541888522 DBRAYZOZIXFKCM-XJKSGUPXSA-N 439.488 2.110 30 10 IEEE CN1CCN(c2ncccc2CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1544454041 GEBIRGZPEOGDNV-UHFFFAOYSA-N 441.576 2.100 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC1CN(c2ccncn2)C1 1558014970 BPBMYNUPYSYFJS-HXUWFJFHSA-N 434.500 2.188 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c1 1558995330 HZBVAGMLHJNKFO-OAQYLSRUSA-N 425.510 2.217 30 10 IEEE CCN1CCN(C[C@@H](C)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1565609398 OBXOGUJBHNNHMD-INIZCTEOSA-N 448.409 2.147 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1587664202 PPKDQSSSKQVVIB-UHFFFAOYSA-N 427.258 2.303 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1587718849 OBBGBPWJBYEWOS-UHFFFAOYSA-N 443.573 2.211 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1587915144 DISFBZFWHBHNHC-SJORKVTESA-N 432.546 2.321 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1589096896 HZYYYUMPBQAJSY-QGZVFWFLSA-N 427.574 2.105 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1589150891 NJAKNWUMXZWMCO-DYESRHJHSA-N 442.589 2.397 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1conc1COC 1589243040 SRWSVFJMLMOMHQ-OAQYLSRUSA-N 440.529 2.444 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1589636900 LIHXGSTVSNWTKR-JOCHJYFZSA-N 443.573 2.389 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1593740940 HFGZJZVEMQKXJT-QGZVFWFLSA-N 446.502 2.427 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1594963385 SEVQFJIHDWFEFG-QZTJIDSGSA-N 445.589 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1595788908 KJDSBQOSMXKFCZ-PKOBYXMFSA-N 431.562 2.255 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1597583998 CTHMOCJUIYBEAT-UHFFFAOYSA-N 431.541 2.169 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1611320311 UOSLJXOBOFZNTH-OIISXLGYSA-N 445.568 2.313 30 10 IEEE CCn1cccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1615732424 NVIWDRHGZYSKTI-VGOFRKELSA-N 428.537 2.144 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC2CCCCC2)CCOC1 1616205189 GFUOEKDUQSSRCF-FCHUYYIVSA-N 448.543 2.211 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)nnc1-c1ccco1 1618374457 IXLWQSOJRNEWSD-IFXJQAMLSA-N 436.559 2.099 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1618543494 CNKXHJRYVWIWEO-HNNXBMFYSA-N 446.515 2.037 30 10 IEEE COC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1)OC 1619593296 HRLNSFSDFQTLRJ-OLMNPRSZSA-N 435.912 2.462 30 10 IEEE C=CC1(CC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 1624811557 SIYRCRAWEBGUJM-FQEVSTJZSA-N 442.560 2.170 30 10 IEEE COCCN(C)CCCC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1630908338 XHGHDVBKECGEJQ-UHFFFAOYSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)[C@H](C#N)C1 1632528002 HYVPBHLBLZBORK-CRAIPNDOSA-N 425.489 2.163 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 1633651067 JVERTTRTQIVPNZ-CWFSZBLJSA-N 443.525 2.234 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H](C#N)C3CCCCC3)CS(=O)(=O)[C@@H]2C1 1634685577 HTGYPQUEXRKIAL-ZJPYXAASSA-N 439.578 2.245 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1c(Cl)cccc1Cl 1640164206 HUSRNTKMNMTJBO-UHFFFAOYSA-N 426.281 2.031 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C(=O)OC 1642410700 KSZRIHQXJSWISU-SFHVURJKSA-N 434.901 2.460 30 10 IEEE CCC(=O)N1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1 1643222480 HTQRLPCMICDUJF-UHFFFAOYSA-N 426.433 2.032 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1644863447 LXINCOPWEVJMQC-UHFFFAOYSA-N 436.560 2.364 30 10 IEEE O=C(CCCn1c(O)nnc1O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645939064 ZGMGIJZWMKCESK-KNVOCYPGSA-N 438.275 2.099 30 10 IEEE C=CC[C@H]1CCCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1648907988 RGPFDUCRIBTTDT-INIZCTEOSA-N 445.541 2.390 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1)c1cc[nH]n1 1650760616 YIVJGFULNCRZBG-LJQANCHMSA-N 441.532 2.207 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)C1 1651805500 LMZLCDTUAGLQOL-UNMCSNQZSA-N 427.570 2.357 30 10 IEEE N#Cc1ccc(NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1Br 1655087316 ZGKILEFEFPJBBO-UHFFFAOYSA-N 433.285 2.401 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCOC3(CCS(=O)(=O)CC3)C2)ccc1Cl 1655894172 DQTMLCMMJGNDNQ-UHFFFAOYSA-N 439.965 2.175 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CN(C)C2CCCCC2)CC1 1665386198 VSSPGEFVPQRYNM-UHFFFAOYSA-N 447.605 2.068 30 10 IEEE C#CCC1(NC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCOCC1 1685962330 JMLAWGYNCCBDRW-UHFFFAOYSA-N 437.537 2.241 30 10 IEEE C=CCC[C@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1686255439 LSOQOBJJKIOVHR-HUUCEWRRSA-N 438.491 2.096 30 10 IEEE COc1cc2c(cc1OC)[C@@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CCCC2 1687439718 JFZGMRUXRPOELQ-HZUJVAHNSA-N 433.530 2.051 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1ccc(OC)cc1 1689826473 OJMFQVOKVZDNJY-IKGGRYGDSA-N 433.578 2.234 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@H](CO)O1 1690007786 JDKMKYIUOFPHGO-UONOGXRCSA-N 435.347 2.382 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCCC1 1690034253 BOWRBQVMKKZRBO-DEOSSOPVSA-N 441.576 2.186 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2csc(C)n2)CC1 1690113286 FMUOBLFZUUKBIE-QFIPXVFZSA-N 444.605 2.082 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1690263462 CAFUXUCXAQHJKY-HNNXBMFYSA-N 442.545 2.431 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)F)c1 1690993630 OGPMNNYICWVHNR-QWHCGFSZSA-N 426.493 2.470 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N[C@H](C)CC 1694552569 FRZKKUATGBZCSU-IEBWSBKVSA-N 440.548 2.453 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC[C@@H]2CCOC2)CCO1 1698494461 VYETZKJDLAJZPM-PKOBYXMFSA-N 429.496 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705491381 BYRAODVJNFTVCV-FPOVZHCZSA-N 437.592 2.215 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705516375 ZSJPKRFLSHKYQW-VAMGGRTRSA-N 431.581 2.343 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccccc1CC 1705532410 NGYQRNIDSNEJGL-SFHVURJKSA-N 443.573 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(F)c1 1705589702 VBLASHFWJXLWSB-QGZVFWFLSA-N 445.564 2.468 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705626442 WZJNRRJAAOUMEB-JOCHJYFZSA-N 448.571 2.271 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(C)(C)C2CC2)CC1 1705644544 UJXZVYDWBFHYPW-UHFFFAOYSA-N 428.581 2.208 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](OCCOC)C1 1705657029 QLJHISCHLYOONL-GOSISDBHSA-N 444.557 2.324 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCCC 1705666267 AHVFKZNCZUGLBJ-JOCHJYFZSA-N 442.951 2.380 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705731797 CSIYZOYBGBJOQS-SFHVURJKSA-N 426.477 2.257 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1Cc1ccccc1 1705894807 LZTSROWVTAWMEE-LJQANCHMSA-N 445.527 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCc2cccs2)CC1 1705900337 ZERYQWBMJHRCQS-UHFFFAOYSA-N 439.589 2.012 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1706187836 GXCPSDCLGZPHGN-PMERELPUSA-N 428.562 2.066 30 10 IEEE CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706237443 MNNHMDWTCFVFMX-UXHICEINSA-N 449.559 2.030 30 10 IEEE CC(C)CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1706477643 FALOKGOEZNUMKZ-LPHOPBHVSA-N 427.546 2.075 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712665526 JVLWAOXNZGDMAG-OSCRUYLVSA-N 442.907 2.350 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)[C@@H](C)CCC 1722384996 XERBVQIEZJFAHV-GHTZIAJQSA-N 435.528 2.416 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)CC1 1722450957 UXFSUKJAFXVDFO-CYBMUJFWSA-N 446.296 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1722476453 WECJFYCDKXJOOA-OAQYLSRUSA-N 428.443 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](C(=O)OC)C1 1722752172 XRMBENPYAYZPJD-INIZCTEOSA-N 444.513 2.291 30 10 IEEE Cc1cccnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1724809647 DPLBOCMEVSPGDB-IBGZPJMESA-N 436.541 2.440 30 10 IEEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)(C)C)CC2=O)cn1 1729575901 ROHOXKDJWAJSKP-UHFFFAOYSA-N 448.531 2.219 30 10 IEEE COCCCOc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c1 1730710733 HFIYPTUGTJGYHS-QFIPXVFZSA-N 448.527 2.456 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC(F)(F)C1 1740631029 NXUZQWQGKDPFBD-HOTGVXAUSA-N 427.521 2.177 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1Cc1nnnn1CC1CC1 1740659203 WFTAYYZDUATYDN-UHFFFAOYSA-N 430.516 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(OC)CCCC1 1740681014 VVVYGFZAULLGOJ-UHFFFAOYSA-N 446.573 2.394 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2cccc(C)c2)CC1 1740695935 HQNQQJVRHFHQBX-FPOVZHCZSA-N 441.601 2.048 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CC2)C1 1741213301 AMNUIHFVIFQGRB-YWZLYKJASA-N 434.516 2.359 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1745579311 FGTXVLIDOAPWMS-NTKDMRAZSA-N 435.576 2.463 30 10 IEEE CN(C)c1nccc2c1CCN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)C2 1747578884 RFPCJZXJSFWZNE-UHFFFAOYSA-N 447.543 2.239 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@H]1OC 1748847191 PFGBOXIVMLTYGS-NHCUHLMSSA-N 433.560 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCc2ccccc21 1748864209 SVNTUSBVXQUOHH-ICSRJNTNSA-N 439.585 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCCC2)CC1 1749010270 KDHSGMULLUPAEQ-UHFFFAOYSA-N 435.576 2.182 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749038278 PSBRYJJELODVLK-QLFBSQMISA-N 432.562 2.274 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749218608 QDYQVSVABHAWGA-LJQANCHMSA-N 429.521 2.267 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1)C1CC1 1749508776 ZRTCGPVJFHFRCL-ACJLOTCBSA-N 425.580 2.012 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749603036 KOSOSSVYPMOUBP-VAWZGJIGSA-N 425.533 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1749711764 CBULGRPWLABQPD-RNIPGJKVSA-N 438.594 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@](C)(CC)C1 1749724809 NFPORLFFFCDAGI-HXUWFJFHSA-N 449.533 2.459 30 10 IEEE COCCOC1(Cn2c(C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CCOCC1 1750037673 UYUOYRREEWCZRI-NRFANRHFSA-N 441.532 2.248 30 10 IEEE CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1750842074 MSHBLKFXXNYLAF-QGZVFWFLSA-N 433.516 2.470 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc2[nH]ccc2c1 1751216326 CDOYOFFZGDDDAM-XOBRGWDASA-N 445.524 2.054 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1760115668 BIYJXNSCVQIFPK-NSHGMRRFSA-N 429.590 2.159 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760140907 CZPFYXJEKLQGDU-UHFFFAOYSA-N 429.590 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1760217873 PMMKPLYMLLWEHQ-UXHICEINSA-N 446.555 2.227 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760282351 AUNJPVWIOJUFCG-HXUWFJFHSA-N 440.548 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N(C)C 1760298674 QUKGTPDYDUCDDT-JOCHJYFZSA-N 445.589 2.357 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760357185 GGWLPRBCXKHHOB-SFHVURJKSA-N 432.594 2.462 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc2ccccc2s1 1760514291 AJQRTHHZLKOBMT-UHFFFAOYSA-N 439.545 2.062 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1760522998 JBJXBOCLHUODJP-UHFFFAOYSA-N 435.532 2.337 30 10 IEEE Cc1cccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1761702387 HKGBFZCBKNHEDG-IAGOWNOFSA-N 446.577 2.404 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1764568352 FMQBBNSQHOYZNH-GAJHUEQPSA-N 438.532 2.117 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1766817306 LPWVHYPTSILSNR-ZBKJMMEJSA-N 436.516 2.477 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)CC1 1767149911 HUXOJGJIIWBHCE-OALUTQOASA-N 441.628 2.009 30 10 IEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncn(C)n2)ccc1OC(C)C 1768269343 DQCCYGTWTMOJRG-NRFANRHFSA-N 440.483 2.360 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1769707379 HSCWGKCXXVDRLU-HSZRJFAPSA-N 431.500 2.364 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CCCCCCO)c1 1771532080 OOCMZUBTCUTWNO-NRFANRHFSA-N 435.532 2.471 30 10 IEEE C=CCN(C(=O)c1cn(-c2cc(-c3nc(C(C)C)no3)ccn2)cn1)[C@@H]1CCN(C)C1=O 1850410091 LHQIXOMIYXEQNO-QGZVFWFLSA-N 435.488 2.300 30 10 IEEE CC(=O)N1CCN(CC(=O)N(C(=S)N=CN(C)C)c2ccc(Cl)c(Cl)c2)CC1 1852534475 VDNPUBCAVBMCIW-UHFFFAOYSA-N 444.388 2.365 30 10 IEEE N#Cc1ccc([C@H](CC(=O)N2CCN(C3COC3)CC2)N2Cc3ccccc3C2=O)cc1 1852570679 RKVPONIKQFWHCI-QHCPKHFHSA-N 430.508 2.188 30 10 IEEE CN(C)C=NC(=S)N(C(=O)c1nccc(N2CCOCC2)n1)c1ccc(Cl)cc1 1852585504 WSQAQNDFQVYZGN-UHFFFAOYSA-N 432.937 2.488 30 10 IEEE C[C@@H]1C(=O)N(C(=O)COc2ccccc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854656672 OVEMWQOFEYGMDK-CQSZACIVSA-N 447.900 2.039 30 10 IEEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)C2CN(c3nc4c(F)cccc4s3)C2)C1 1855474045 OSYFDJPYSWYEKX-CQSZACIVSA-N 429.521 2.482 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cc[nH]c3c2)cc1 1858977089 JKFHJMJFEURAEK-UHFFFAOYSA-N 426.498 2.314 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(OC)c(O)c2)c1 1862704777 ITTVVAPEJTVALV-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE COc1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F 1870097821 YOGIJODRHRRNOJ-UHFFFAOYSA-N 432.393 2.055 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(N)=O)cn1CCc1ccc(OC)c(OC)c1 1870666891 HSWWWWVDSDRFEV-UHFFFAOYSA-N 441.528 2.146 30 10 IEEE N#Cc1ccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873317683 KMXLHLHSSWDCQA-UHFFFAOYSA-N 438.434 2.361 30 10 IEEE COc1cc2c(/C=N/N=c3ccc(-n4nc(C)cc4C)n[nH]3)c(C(=O)O)n(C)c2cc1OC 1873793610 SKCIYRHIOBKARR-FOKLQQMPSA-N 449.471 2.354 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1OC 1874338068 RTPADOHTTGRSJY-LKKXKRCMSA-N 431.518 2.158 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1890807995 MMBZDSAEKKHXKF-GOSISDBHSA-N 446.500 2.186 30 10 IEEE C#CCOC1CN(C(=O)[C@H]2OCC(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)C1 1891707893 YBYGGYOKRVRCLJ-PKTZIBPZSA-N 426.513 2.157 30 10 IEEE C=CCN(CC(=C)Br)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1916875708 LNJZFLSXVYLSON-UHFFFAOYSA-N 427.320 2.399 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1986020555 UASMIHSTGVJERF-CABCVRRESA-N 427.542 2.332 30 10 IEEE CC#CC[C@@H](COc1ncnc(O)c1I)NC(=O)OC(C)(C)C 1992438524 AGTNVTGGDJMMRJ-JTQLQIEISA-N 433.246 2.472 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2010034423 WFYQQXAKOGBKML-WZONZLPQSA-N 429.517 2.139 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2010397033 OZWSEELVKQPGPJ-JXQTWKCFSA-N 426.319 2.184 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2094083980 IUBNFRFWAUVAAS-UHFFFAOYSA-N 432.149 2.135 30 10 IEEE N#CC1(CS(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CCCCC1 2174786040 FZSTVEKIFKNQPE-LJQANCHMSA-N 435.546 2.417 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243419272 VNDURZXECSMNKO-GFCCVEGCSA-N 425.360 2.333 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243684877 IMDKYWDRHQQYGY-UHFFFAOYSA-N 425.360 2.362 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247908154 OIUJSESNKFHIKE-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 2255635590 IQOFDTKMQZFRSW-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2255881033 PBOLJSCNTXUOHL-UHFFFAOYSA-N 431.342 2.183 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CC1 2267129812 GNZBTRGKWVZCKF-UHFFFAOYSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(CC2CC2)C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267135333 BJSGGHNPBOXJBL-UHFFFAOYSA-N 446.357 2.180 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2267150383 UFQGQUISOLOCFD-LJQANCHMSA-N 438.381 2.374 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)n1 2267154196 VSLUBEUFHJHWQT-ROUUACIJSA-N 436.365 2.062 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267182971 KMCMNYJLISKHOJ-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267520095 KHFYUWZQBREDIN-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2267606820 DICBMAAPUORUOQ-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268629510 XIBSEAPMIBGTGS-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2271950791 AOYFZPFZYNMTHQ-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE Cc1ccc(S(=O)(=O)N=C2NC(=O)C(=C3C(=O)Nc4ccc([N+](=O)[O-])cc43)S2)cc1 2297322804 KFIWCQPCFGKYBT-UHFFFAOYSA-N 444.450 2.174 30 10 IEEE CN1C(=O)C(=C2C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1cccc(C(=O)O)c1 2314547397 GRAJFCVPNODDNB-UHFFFAOYSA-N 437.433 2.420 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2325423461 QXBMVDRIQUSAEB-UHFFFAOYSA-N 444.469 2.098 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334469359 NLJCPZNDRJPVLG-KYJSFNMBSA-N 443.353 2.427 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]1C2 2338375528 OUANMDWQLMWJFR-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE COc1nc(N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339785589 YPOZLIYTSXKEDF-CHWSQXEVSA-N 443.275 2.425 30 10 IEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2365212103 QJTKCYQWKIPQEQ-NNMXDRDESA-N 436.574 2.217 30 10 IEEE CCOC(=O)CNC(=O)CSc1nnc(/N=C(\O)c2cccc([N+](=O)[O-])c2C)s1 8822009 MHENTMGSVXUULA-UHFFFAOYSA-N 439.475 2.162 30 10 IEEE COc1cc(NC(=NC(=O)c2ccc(F)cc2)NCCN2CCOCC2)cc(OC)c1 46135006 ZLZTYAVYLPJKFY-UHFFFAOYSA-N 430.480 2.373 30 10 IEEE CCNC(=O)CCSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253567343 JYQWGCHMNDBIRC-LPYMAVHISA-N 441.565 2.429 30 10 IEEE C[C@]12CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C[C@H]1C2(F)F 428733733 QUQRFHZYYWEVIO-UZLBHIALSA-N 431.443 2.432 30 10 IEEE C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 460807728 FTSFOJTZNMNQAN-HXUWFJFHSA-N 436.560 2.422 30 10 IEEE COC(=O)[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)Cc1ccccc1OC 462086187 WOXDZSNNIAIBDH-QGZVFWFLSA-N 434.456 2.301 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 481474955 BVYYGNJGGFUYJR-HEFCMCLBSA-N 441.486 2.292 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(OC)c1 493917722 UIHSYOJSKLKUFA-KRWDZBQOSA-N 445.497 2.058 30 10 IEEE CN1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 497486949 UYIDBPUQANSDAP-UXHICEINSA-N 448.495 2.332 30 10 IEEE N#Cc1ccnc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c1 501183294 QNCLOOMVXXVLQN-UHFFFAOYSA-N 428.290 2.112 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 523863464 VBZAJEJERMAHAR-UHFFFAOYSA-N 431.521 2.013 30 10 IEEE N#Cc1ccc(NCC(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)nc1 557880686 FSOBDIVFRSTKNB-SIKLNZKXSA-N 432.455 3.072 30 10 IEEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 574309654 GXXZXBZMLIVDOY-JOCHJYFZSA-N 434.477 2.347 30 10 IEEE N#Cc1ccc(Cl)cc1NC(=O)CN1CC(S(=O)(=O)N2CCc3ccccc32)C1 613785040 RGVCYKWMZVVZLK-UHFFFAOYSA-N 430.917 2.227 30 10 IEEE COC(=O)C(C)(C)[C@@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 615989424 USPROMMBLWIJIA-IBGZPJMESA-N 438.532 2.372 30 10 IEEE CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1=O 619843287 RZMFURVXNXDUDU-GOSISDBHSA-N 440.887 2.466 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1 730339328 HIYLJKBLPUZVBI-TZQQIIETSA-N 435.546 2.463 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)s1 752194339 NVFNTVKWJOPOKC-CQSZACIVSA-N 431.583 2.226 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)/C=C/c1ccncn1)CCCC2 754919320 FPQYMDWFKZOACN-OZSKJFCKSA-N 435.484 2.403 30 10 IEEE CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 759892184 WDIIPNKZWZTEJL-UHFFFAOYSA-N 426.542 2.184 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCc3cc(C(=O)OC)cc(C(=O)OC)c3)cc2C1=O 766864563 VHTLDSFQWSZSGV-UHFFFAOYSA-N 437.404 2.399 30 10 IEEE C[C@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)NCC(F)(F)F 768045262 JDODBAXIEXZBHM-YFKPBYRVSA-N 427.248 2.056 30 10 IEEE C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(C)(=O)=O 780181237 XFAMPZWFJZFHCP-XCLFUZPHSA-N 438.502 2.222 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)n1 788650098 NKSXUOSWMOYWDK-UHFFFAOYSA-N 438.488 2.175 30 10 IEEE CC(=O)c1ccc(Br)c(S(=O)(=O)NC(=O)COc2ccc(C#N)cc2)c1 797574091 PKABBZSCVRAUMN-UHFFFAOYSA-N 437.271 2.407 30 10 IEEE N#CCCN(Cc1ccccn1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 798228351 IZPPVRJECYUKHW-UHFFFAOYSA-N 433.433 2.480 30 10 IEEE C=CCN1CC[C@H](OC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1=O 798632786 DLJCHLPSNYOAKE-DOMZBBRYSA-N 430.320 2.189 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 804735130 MDCOPKMNJOOTBN-UHFFFAOYSA-N 438.303 2.277 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2C[C@@H]2C(F)F)c1 807937733 LKEIXWNLIDNNHN-YESZJQIVSA-N 434.512 2.321 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1)c1ccc(Cl)cc1 810472086 CGXKJZYIZOCOJJ-INIZCTEOSA-N 426.889 2.467 30 10 IEEE C#C[C@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 812938228 KTSFZZAKXWGXCX-INIZCTEOSA-N 434.449 2.223 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3Cl)n[nH]2)cn1 1084164251 ZZALYOJGALHBQA-UHFFFAOYSA-N 434.913 2.478 30 10 IEEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)co1 1124203922 RABLADXETFGWTK-UHFFFAOYSA-N 444.513 2.415 30 10 IEEE N#Cc1ncn(-c2ccccc2NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)n1 1129477859 SZMHHQNLYNCAQR-UHFFFAOYSA-N 436.497 2.250 30 10 IEEE Cc1ccc(Cn2nc(C)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2Cl)cc1 1134276381 VKOCNZJEGDGGPG-JXFKEZNVSA-N 432.933 2.212 30 10 IEEE Cn1ncc(Br)c1CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1141515354 ZFBKHEHHBPGGNP-UHFFFAOYSA-N 442.321 2.114 30 10 IEEE CC(C)(C)C#CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1151803975 PAPVIELRGUJRFR-KRWDZBQOSA-N 449.573 2.286 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1155815430 FOVNJDIMDRKKGN-JOCHJYFZSA-N 443.525 2.100 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)s1 1158632402 DKNCJGAMQUNNBJ-HDJSIYSDSA-N 443.591 2.174 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 1165944479 NKUJKPJROYOHEM-WCJKSRRJSA-N 437.537 2.390 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1 1170344765 AGXRDMCKXSLEMX-RDJZCZTQSA-N 435.546 2.116 30 10 IEEE C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1175861584 NWQSDXUEWYREOL-UZUQRXQVSA-N 428.533 2.275 30 10 IEEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1Br 1177028322 GEJJXPMXYBDAOM-NWDGAFQWSA-N 437.319 2.260 30 10 IEEE CC(C)(CO)[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cccnc1 1194674356 GCJOQGCWIKKBAA-FYYLOGMGSA-N 439.535 2.279 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1195261453 RCGSAYYXUWKDHU-UHFFFAOYSA-N 443.363 2.344 30 10 IEEE C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H]1CCO)c1ccc(-c2cccc(C#N)c2)cc1 1233981002 BJPDEIMFCCXCGC-IIBYNOLFSA-N 427.526 2.477 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(N4CCC(O)CC4)cc3)C2=O)cc1 1248375843 PZSNXRUCEVMKFG-HSZRJFAPSA-N 447.539 2.120 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)Cc3cccc(F)c3)CC2=O)cc1Cl 1264914184 BETOUNPMBQFLCD-INIZCTEOSA-N 442.878 2.179 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(OCCOC)CCOCC1 1286299764 IGBIMUDVOGQKLY-INIZCTEOSA-N 433.578 2.304 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1286375999 BZHLRGXBXVSBAJ-RTWAWAEBSA-N 441.601 2.395 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1286396957 ZBNBHXLGMIHJRS-PGRDOPGGSA-N 446.548 2.204 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1NC(=O)CC1(C)C 1286464102 RHCIWPRUMRORBS-IBGZPJMESA-N 432.528 2.494 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)c2nc(C)cs2)CC1 1286470844 DKHIZHGVJCQVRE-WMZOPIPTSA-N 432.594 2.326 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@](C)(O)CCOC)CC1 1286472244 FSYMNOQEIOWHRG-RUZDIDTESA-N 448.571 2.344 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1286794146 YCLZQTJHNBJHQH-QZTJIDSGSA-N 433.459 2.288 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCC[C@H]2C)C1 1286797922 DYXHFFAUFDZPFO-YVHKJVDXSA-N 426.521 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cnn(C)c1C 1286814546 BNWQPGZEQCPXHM-UHFFFAOYSA-N 444.561 2.233 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCNC(=O)[C@@H]1CC 1286815147 MVQRRXVCNLLAGR-INIZCTEOSA-N 443.529 2.007 30 10 IEEE CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1287091188 RJKRJLQIVZEODL-OAQYLSRUSA-N 443.483 2.406 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cs1 1290418233 SJUSSBDFHLFISP-YJBOKZPZSA-N 438.554 2.043 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1290445476 PHWAEUGFMRCTHO-KRWDZBQOSA-N 449.552 2.315 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)s1 1295095545 UHYCXFJNCYCDIE-FXAWDEMLSA-N 437.562 2.456 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCNc1ccc(C(F)(F)F)cn1 1300471524 FKJCEDXRMSESMN-UHFFFAOYSA-N 435.454 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1300483715 MZVAQPDOAOOAKP-GOSISDBHSA-N 442.545 2.138 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1300485827 ZIOXMMMCXYRIQF-DYESRHJHSA-N 434.562 2.146 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1300900981 VGXOCXXVSBFZLR-QRWLVFNGSA-N 439.557 2.338 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(C4CCCCC4)C3)CC2)cc1 1301032090 AHCMOWNHGHBWON-HXUWFJFHSA-N 444.601 2.482 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1301514082 DRLKABRZBUZJHZ-QUCCMNQESA-N 436.516 2.036 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1c[nH]c2ccc(F)cc12 1301806844 VHSYAVSLUFQGSP-IBGZPJMESA-N 439.495 2.459 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)OC(C)(C)C 1302031079 UZESDJHCHXBWFH-QRWLVFNGSA-N 440.520 2.359 30 10 IEEE COCCOCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302211747 LZYMROJXMNMNCV-SFHVURJKSA-N 445.955 2.223 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)N(C)C 1302984665 DJLXOBMNSIBCGF-MOPGFXCFSA-N 430.578 2.112 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCCOCC(F)F)c1 1302987091 KZJSWUBRZZQUHM-INIZCTEOSA-N 432.431 2.129 30 10 IEEE COc1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc(NS(C)(=O)=O)c1OC 1304193970 NGPMMISWNKDNIB-IBGZPJMESA-N 445.497 2.161 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C(C)C 1310074652 HHKJESHJWJOPEV-LJQANCHMSA-N 448.589 2.477 30 10 IEEE CN(OC1CCCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314893588 PCIDSTRHGKKVNS-MEUCICPISA-N 430.509 2.009 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1358886855 LUDOXSPUMCJGRM-YPMHNXCESA-N 433.415 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1358991237 SGPJMGSANCRPOR-XMMPIXPASA-N 440.551 2.418 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1359003823 YXCFIPNFDCPPEL-UHFFFAOYSA-N 428.514 2.091 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CCCC1 1359025035 AZNYLIGWBRULHZ-UHFFFAOYSA-N 448.564 2.451 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1359067278 HPAUQZRUNNKXKB-PKTZIBPZSA-N 426.517 2.496 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1 1359094262 YXGJNGIIZWZNRZ-FUHWJXTLSA-N 431.518 2.403 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1359129845 PDNKDQLDHHCGJY-UHFFFAOYSA-N 438.532 2.141 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359214731 KSUMAROIBSBRSR-GOSISDBHSA-N 426.521 2.496 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCN2C 1359282441 AVVFWNICBRDYEI-UHFFFAOYSA-N 438.576 2.470 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359287350 YHHBXZRHPGDYOL-IBGZPJMESA-N 431.562 2.358 30 10 IEEE Cc1nc(=NC(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1361055752 QEUBKYJWBXXWKC-NHCUHLMSSA-N 432.532 2.055 30 10 IEEE C#C[C@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)c1ccc(Br)cc1 1436651796 SEOMHBZHGGKGFB-UHOSZYNNSA-N 428.286 2.233 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCCN(c3ccccc3C#N)CC2)cs1)C(N)=O 1443204743 KQTARIKLDHMWJL-AWEZNQCLSA-N 429.571 2.262 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CC4(CCOCC4)CC[C@@H]3CO)CC2=O)cc1Cl 1456059686 MLCCMECLCMTMQR-SJLPKXTDSA-N 431.920 2.345 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cs1)C(N)=O 1462107249 XDTNEAJHKZZSMM-KRWDZBQOSA-N 429.571 2.262 30 10 IEEE CCCOc1nc2ccccc2cc1/C=C/C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1462989532 QLIJCQFVTGEZRP-RPTXYRIKSA-N 425.510 2.434 30 10 IEEE CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1463331089 AHAYONBMODGDMU-UHFFFAOYSA-N 437.481 2.362 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Br)ccc3N)CC2)cc1 1464042263 ZSKVFYKUDVSYFF-UHFFFAOYSA-N 449.330 2.050 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4c(Br)cnn4c3)C2=O)cc1 1467706898 KVCNSYIUHJONPP-QGZVFWFLSA-N 438.285 2.499 30 10 IEEE C#CC[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1475917658 NYMFNAJWDOTDMG-SFHVURJKSA-N 448.589 2.431 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)cc1 1476012374 FIYNJUHHAWLIRB-JOCHJYFZSA-N 433.505 2.193 30 10 IEEE CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503375341 PEDTZUALBXZFSW-UHFFFAOYSA-N 449.584 2.212 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1 1505134894 MHMPGQOUJZWMJV-UHFFFAOYSA-N 443.529 2.492 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1507610033 DEUKBOWBFSMSJP-KRWDZBQOSA-N 432.569 2.377 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507631053 BBFTTZDIDIYCDS-MJGOQNOKSA-N 432.521 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507646363 NQBJDIGXPAMABH-GOSISDBHSA-N 432.450 2.066 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507712392 FXAGDNBZZCKAFZ-ZCNNSNEGSA-N 433.597 2.494 30 10 IEEE Cc1nnc(N2CCC[C@@H](CN3CCCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511860162 BJEWFKNSKYBWFN-XJUMHSELSA-N 441.580 2.205 30 10 IEEE CC[C@H](C)c1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1512839997 JILBCZVSEUIBSF-AYAKEVCGSA-N 438.536 2.221 30 10 IEEE CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1514169359 RFSMCFBERFUCOQ-DVSFIDLUSA-N 442.545 2.072 30 10 IEEE COCCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1519018019 ABAYOMQKIKRYLM-QFIPXVFZSA-N 439.495 2.451 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 1534257974 QEVAJVDTVXWPHM-SFTDATJTSA-N 431.558 2.423 30 10 IEEE N#Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)c(I)c1 1535358408 XWOTZVCOVPFOSG-UHFFFAOYSA-N 435.225 2.042 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1537013209 JWJGMZIZXKFBRV-INIZCTEOSA-N 444.598 2.282 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cnn(C)c2)c1 1539043873 VOFPVHSUUIBEGL-IBGZPJMESA-N 433.516 2.010 30 10 IEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539225126 LZTVJPRDUQXUEH-WMZOPIPTSA-N 441.557 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCn2ccnn2)CC1 1539470023 IHHUZLCTFMUWCV-UHFFFAOYSA-N 446.559 2.155 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1539742364 BZWUZRHNTJYQRX-HNNXBMFYSA-N 425.459 2.401 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1540151510 ITZACRMBPKGZNG-XUVXKRRUSA-N 444.580 2.469 30 10 IEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(N)=O)C1 1540910989 QVHWGLJDKGQABW-NSHDSACASA-N 425.356 2.267 30 10 IEEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C 1547838536 DMNGXRAXDXBMNT-PMACEKPBSA-N 440.548 2.219 30 10 IEEE CNC(=O)c1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)cc1 1554410771 DVGQLUIRJDTEFE-UHFFFAOYSA-N 430.472 2.188 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1555269374 MUAQHEZOLGBFPN-UGKGYDQZSA-N 439.495 2.287 30 10 IEEE N#Cc1ccc(OCC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1Br 1583873523 XOEYRPNRYQNJHA-PHTAMDTFSA-N 427.320 2.172 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1585178068 VQGLVRFGYNARMO-SQEWALACSA-N 429.480 2.036 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)cc1 1587057577 NMZBVHICNCBQRO-LBPRGKRZSA-N 430.848 2.167 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cc4c(nc3O)CCCC4)C2=O)cc1 1587748205 LWLDWKCLFUUMSG-LJQANCHMSA-N 433.468 2.059 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1588059818 VPLKXSHEKZNNPH-FQEVSTJZSA-N 444.601 2.379 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1588233152 BPPHBKLQUUOJJI-UHFFFAOYSA-N 427.574 2.286 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1C1CCCCC1 1588574649 OYBVLSYNPSKNLD-HXUWFJFHSA-N 430.597 2.299 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2oc(CCC)nc2C)CC1 1588732618 FARHLAMGWAUSHF-UHFFFAOYSA-N 441.580 2.249 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)C2CCCC2)CC1 1588768927 MPQFOXSEYZASKS-UHFFFAOYSA-N 437.548 2.483 30 10 IEEE C#CCSCCn1c(N2C[C@@H](N3CCCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1589125407 KINGDJMAYUJYEL-UYAOXDASSA-N 446.665 2.321 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1589150307 DSRPXPLCUQWXEB-MZNJEOGPSA-N 437.544 2.328 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1593690020 HGWZNHPGJWAAPV-FKBYEOEOSA-N 441.576 2.434 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1594829787 QCZRTIQHWVEWTC-UHFFFAOYSA-N 428.512 2.160 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@](C)(OC)C1 1595593408 CTWOXQLPPRQJGC-QFIPXVFZSA-N 429.521 2.173 30 10 IEEE CN1CCCC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1=O 1596924542 DDSYQMYOXUSLOB-KYLWWAFNSA-N 434.562 2.477 30 10 IEEE CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1598520715 HBUZOUVJRCXIHY-SNVBAGLBSA-N 425.322 2.111 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)cc1C 1612108204 BOYJVKILFSXUTB-HXUWFJFHSA-N 437.548 2.362 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1615100271 HQGJLEXXRKUKGQ-HXUWFJFHSA-N 440.548 2.175 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1620110970 HDMLMRTXJOTQMU-QOKNQOGYSA-N 449.458 2.088 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@@H](Cc2ccncc2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1627293842 SYCSEORCTARQSV-JPYJTQIMSA-N 429.517 2.323 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(Br)c(F)cc1OC)c1cc[nH]n1 1630257801 INVURQSARIYGGK-UHFFFAOYSA-N 443.229 2.242 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 1630737653 VBDOMHRNCRKMJR-UHFFFAOYSA-N 429.480 2.233 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCN(C[C@@H]4CCCO4)CC3)C2)C1 1631216928 OIJMEAZKOQWBAM-PGPPMQCXSA-N 446.592 2.487 30 10 IEEE Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cnn1-c1ccc(F)cc1 1631984066 WWQXCLKRPGXHPS-ZDUSSCGKSA-N 427.461 2.497 30 10 IEEE CCCOc1ccccc1C(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1632333585 OXJUSOYVDHFZFR-OAHLLOKOSA-N 429.498 2.013 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)c(OC)c1 1634459850 OKTIHJLVIUTJDZ-HSZRJFAPSA-N 435.517 2.388 30 10 IEEE C=CCC1(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCOCC1 1640062882 ZXBVNXJWYDIAMQ-UHFFFAOYSA-N 431.352 2.359 30 10 IEEE C#CCO[C@@H](C)C(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1641123210 FQWQXQYIJPZFBW-ROUUACIJSA-N 445.564 2.211 30 10 IEEE CCN(CC)[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(C(F)(F)F)c1 1648028995 UYFIMPPHNUBOIP-KRWDZBQOSA-N 449.433 2.306 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)c1 1655716461 ZVSXNEWOBSUXPU-QGZVFWFLSA-N 441.550 2.362 30 10 IEEE C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 1662182553 XJHIWMMNCZPNCY-GFCCVEGCSA-N 448.282 2.368 30 10 IEEE CNC(=O)[C@@H](CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)Cc1ccc(F)cc1C 1673920124 NBAONEWUVHFIPD-TZIWHRDSSA-N 426.492 2.286 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1675287105 PBOWBCPMXAVCSE-FQEVSTJZSA-N 446.960 2.224 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)CC2)c(Cl)c1 1684248054 SRABHXPSCAYMJJ-QGZVFWFLSA-N 430.940 2.333 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C(C)(C)C1 1685516645 CJUFUEJDFKDLDE-SFHVURJKSA-N 428.537 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC(C)(C)c3cccc(C#N)c3)CC2=O)C1 1685637243 FDYPBPBSPAMUTK-QGZVFWFLSA-N 441.532 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)NCc3nc(C#N)cs3)c3nccn32)C1 1687729921 WVJAKHOJKLMWOG-ZDUSSCGKSA-N 429.506 2.101 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCSCC)c1 1689870340 KTXPFOWKRFSQMX-SFHVURJKSA-N 440.573 2.429 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988853 XLHGRNCKGDSIPK-FXAWDEMLSA-N 427.574 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1690048548 LBWAOQLSCVQQDF-QIJZPMMNSA-N 433.556 2.137 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690106173 MZUAEMOGFFFXBV-GHTZIAJQSA-N 431.581 2.328 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690165595 CYYKAKBOEFHNEF-INIZCTEOSA-N 443.573 2.386 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)OC)CC1 1690183312 TVIBEJJBODYYTA-UHFFFAOYSA-N 447.586 2.025 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690507784 WSMHTKXEHIVDES-HXUWFJFHSA-N 440.548 2.157 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1690609061 BAZUNRMKVFCRCP-IBGZPJMESA-N 445.589 2.270 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(=O)N1CCOCC1 1705483884 DVPGCZNHPLLQNW-SFHVURJKSA-N 449.511 2.434 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C(C)C)N1CCOCC1 1705501469 ZQPROWOMXOTARB-ROUUACIJSA-N 444.605 2.084 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705569508 DIQMGVJZSVFOBQ-HXUWFJFHSA-N 430.574 2.320 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705658250 JSVQGWZQCMKZHY-KRWDZBQOSA-N 427.578 2.222 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@@H]1C 1705877961 GCRALFDZCILWIP-IHPCNDPISA-N 445.589 2.427 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1705911586 LMWCHINYUMQKSJ-PKOBYXMFSA-N 425.533 2.452 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCOc1cccc(Cl)c1 1706069707 GJRCZPVUWCIPKZ-KBPBESRZSA-N 440.957 2.217 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1708820340 DZVICUDIHHYWFP-KRWDZBQOSA-N 447.547 2.268 30 10 IEEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cc1F 1711811056 FUPYTQMJQGIXEW-KGLIPLIRSA-N 438.529 2.017 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C#N)o2)CC1 1712108369 KGKMCYDFHLPFRO-UHFFFAOYSA-N 434.500 2.498 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722344751 BFKJYQONYXXJFW-UXHICEINSA-N 438.557 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)CCCO2)CC1 1722448668 FXKHSVUWSXTMAQ-JOCHJYFZSA-N 427.574 2.465 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722494205 BQHDQDJOKQAOIF-SXLOBPIMSA-N 445.589 2.396 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722530654 AYKJUTHTJUYACZ-GOSISDBHSA-N 442.495 2.150 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(N)=O)CC1 1722614174 FDKJKVNNTBAQAE-UHFFFAOYSA-N 445.593 2.296 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCC)C1 1722699649 WSSRHRDHPNBAFP-APWZRJJASA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@](C)(CC)C2)nnc1[C@@]1(OCC)CCOC1 1722731496 MHWCWDDANQIBQI-VQTJNVASSA-N 426.583 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C)C1 1722737037 QPXBWKYOVOISCG-BRWVUGGUSA-N 426.583 2.023 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1Cc1ccc(C#N)o1 1723933854 QBNDPENFOMVSIT-WBVHZDCISA-N 440.529 2.395 30 10 IEEE Cc1cccc(N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1724233110 GQQWESYAGQTKIU-XUTLUUPISA-N 432.488 2.281 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1740531465 LXXMGJBJAREHOL-TZIWHRDSSA-N 438.576 2.165 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740573935 UPXULHVYHWTWPY-IBGZPJMESA-N 428.533 2.438 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740575259 RFUCZLXKPJQNRK-RRFJBIMHSA-N 434.484 2.140 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740592571 ZPCYAGJRJVGVCB-OKYOBFRVSA-N 435.594 2.039 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cn2cncn2)CC1 1740594978 HFXGBODBHZNWIF-UHFFFAOYSA-N 438.561 2.191 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1740640912 ZCIHVMHSYATVIF-OALUTQOASA-N 443.548 2.086 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCNc1nccc(C(F)(F)F)n1 1740642851 XGQZOCQHAVIMKP-UHFFFAOYSA-N 440.433 2.258 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1740691083 UFFBPLGIXJFVEW-GOSISDBHSA-N 444.555 2.011 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2)CC1 1740692290 IFXAFULKLQBYLQ-HSZRJFAPSA-N 427.524 2.261 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740761323 VUZNNSFZOJQOIL-NZQKXSOJSA-N 444.624 2.202 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNS(C)(=O)=O)CC1 1740837053 FUGQXCQHSBGHPX-UHFFFAOYSA-N 441.561 2.082 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](OC)C2)cc1 1740967243 AKCQUMDHQCOJSM-MJGOQNOKSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)C1 1740979323 CXCPJNHNPNVUPB-JWHDQAAXSA-N 438.594 2.167 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1742166343 SSNRRZKPVXPTMP-UHFFFAOYSA-N 443.529 2.468 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCN1CCOC 1745342807 MWJBHRKNXNUNCN-QGZVFWFLSA-N 436.520 2.185 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1745510469 ZRAVOBVMZBMRCC-MRXNPFEDSA-N 441.536 2.062 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1748724763 ZTKSTYKAHJVNIA-LJQANCHMSA-N 444.532 2.426 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1748923198 YCZDEMVCEHVNGE-UHFFFAOYSA-N 430.516 2.477 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2OCCC2(C)C)n1 1748971700 ZCCDWHCPWYWIQW-ICSRJNTNSA-N 442.564 2.080 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1 1749037524 GDIZLDLUQUZUJI-KRWDZBQOSA-N 430.553 2.399 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749101444 BWKZMEHILBZVNU-ZDUSSCGKSA-N 433.372 2.094 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749175106 HMGAQBCDRBDKIM-MBOBHEEDSA-N 436.516 2.395 30 10 IEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1749222587 KEANUIYCCJKZEF-UHFFFAOYSA-N 438.532 2.314 30 10 IEEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749276319 VRQNEKRIZKNXBA-QGZVFWFLSA-N 444.923 2.125 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1749373735 SKYXVRBZFIBPDG-UHFFFAOYSA-N 438.580 2.428 30 10 IEEE COCCN(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1749769539 KLXVSJDVHCQEFJ-UHFFFAOYSA-N 443.552 2.104 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 1752320660 BGRGEGQMGQIXNO-SWLSCSKDSA-N 443.451 2.017 30 10 IEEE C[C@@H]1SCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1752464616 PQIMSWDRCLUCCA-IHCANNCPSA-N 446.577 2.029 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760122153 YIKHGQMSEVQBIP-SJLPKXTDSA-N 436.482 2.375 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NC1CCCCC1 1760205502 CIKHRKDELYSEQR-OAQYLSRUSA-N 433.512 2.312 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1760234107 TYJOELIVUXHITP-SJORKVTESA-N 432.546 2.116 30 10 IEEE CC(C)c1nnc(N2CCOC3(CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760940281 LADBREZDSUWECQ-CZIZESTLSA-N 428.537 2.467 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)COCCO1 1763740625 FJHMVRPWJPJEHH-JTSKRJEESA-N 425.537 2.190 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1767540529 GQPWYBPIKDRELP-IBGZPJMESA-N 449.559 2.180 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1767675104 UETXGRWYPYMCDK-MRXNPFEDSA-N 448.474 2.320 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1770504699 DZRUPKOMZVCIHX-VGOFRKELSA-N 444.511 2.028 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C)(C#N)CC1 1771238727 NBLQEFVJXOWOOZ-UHFFFAOYSA-N 436.520 2.277 30 10 IEEE COCCn1c(C)cc(C(=O)COCCN2CCN(c3ncccc3C#N)CC2)c1C 1851158277 QQHNDFRAJRRXCQ-UHFFFAOYSA-N 425.533 2.040 30 10 IEEE Cc1cccc(C)c1N(C(=O)c1nccc(N2CCOCC2)n1)C(=S)N=CN(C)C 1851201584 HQLQWNQMGDDOHY-UHFFFAOYSA-N 426.546 2.452 30 10 IEEE CC(C)[C@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)N1Cc2ccccc2C1=O 1851596859 RXQRYKSNUUSTBK-JOCHJYFZSA-N 447.539 2.299 30 10 IEEE C#CCOc1ccccc1C(=O)N1CCN(Cc2cnnn2-c2ccccc2OC)CC1 1851731337 KPALEQDRQFPSDM-UHFFFAOYSA-N 431.496 2.246 30 10 IEEE CCC[C@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1=O 1855825305 IEPYLHYTAZJBDO-ROUUACIJSA-N 437.493 2.445 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 1862416877 KUAHRWVCTNUSKG-SFHVURJKSA-N 432.379 2.090 30 10 IEEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)c1 1862605294 QHEOEZSTZUNMFU-NRFANRHFSA-N 436.464 2.481 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc(OC)c(O)c(OC)c2)c1 1862708037 KWPGIRMQPQJGNT-HXPMCKFVSA-N 443.452 2.377 30 10 IEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccncc1 1874341916 VZBWGYNGQFDQAP-CNPYVQQSSA-N 430.534 2.325 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCCCC3)SCC(=O)N2C2CC2)cc1 1889326787 XVMVERQYOWGTHC-PKTZIBPZSA-N 441.597 2.448 30 10 IEEE Cc1nc(I)c(I)n1-c1cncc(C#N)n1 1936398155 WEURZEDNTOUTAZ-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 1985011635 PUSJZVVDMNXMPR-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE CN(C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124538912 OUBZAXPRKIHIQT-UHFFFAOYSA-N 446.353 2.321 30 10 IEEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@@H]1CS(=O)(=O)C1(C)C 2172772455 NXKHQRVIZCSYLS-CYBMUJFWSA-N 445.188 2.155 30 10 IEEE CC1(C)OB(c2cccnc2NCCn2cnc(I)c2)OC1(C)C 2224097844 OWYBPFBRNAFZLU-UHFFFAOYSA-N 440.094 2.294 30 10 IEEE Cc1cnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224116563 CUXDEQORHRUTEX-NVXWUHKLSA-N 433.358 2.329 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2[C@@H]1CO 2232307300 RRPVNCSLHABIGV-SZMVWBNQSA-N 445.369 2.045 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)C1 2247565982 ZQDSYUHRAHZRDU-QWHDWNGZSA-N 431.455 2.351 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406446 YMCCAAHSYMJRJK-LBPRGKRZSA-N 440.375 2.139 30 10 IEEE CCN(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2255623845 TUDFWKDCXMRRFH-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CCC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255629343 UOFULOIPUHGPLA-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1 2255820948 BULWAEKXAFVCRU-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE Cn1ncc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255828762 GUBBGYWSVIXVSZ-SFHVURJKSA-N 425.338 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)cc2C1 2266748476 PJMMMLXUTBKGIG-UHFFFAOYSA-N 441.341 2.494 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2267090413 CQBIOYMILSWSAG-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE Cc1cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267109351 OLDYRKINIBSKFH-QGZVFWFLSA-N 448.369 2.218 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2267261257 SUKAKFUCIXRJAD-NPMXOYFQSA-N 445.369 2.454 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2267278534 DDTQJQSEWXJYGH-VQTJNVASSA-N 438.333 2.485 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2267516749 IJGYWOWDHSUPIQ-VQIMIIECSA-N 438.381 2.421 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267549957 SHULUKHQEWEWIG-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881560 IMUKFYFWQPCPGJ-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2283067036 ANZASDJCBJNHCW-VQTJNVASSA-N 448.376 2.370 30 10 IEEE C=CC(C)(C)[C@@]12C=C(O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@@]31N(OC)c1ccccc12 2294829658 JTJJJLSLKZFEPJ-XZOQPEGZSA-N 433.468 2.350 30 10 IEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2303242848 UVWLXTIHVBUZGJ-FQEVSTJZSA-N 430.549 2.233 30 10 IEEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccc([N+](=O)[O-])c1)n2Cc1ccc(F)cc1 2318581808 YXYCVAVTMYOWAF-UHFFFAOYSA-N 437.391 2.377 30 10 IEEE COc1cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)ccc1OCc1ccccc1 2323022873 VGICYMXYFRRNFV-UHFFFAOYSA-N 440.481 2.414 30 10 IEEE O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 2323211495 IEZCRKDZOJYSMN-UHFFFAOYSA-N 445.819 2.483 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2cc(Br)cc(OC)c2O)c1 2323374598 MPVYKNGBCOYPHE-UHFFFAOYSA-N 445.291 2.493 30 10 IEEE COC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331142556 RPQAMZRYYMMZNA-UHFFFAOYSA-N 447.351 2.124 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)c(OC)c1 2331571114 POTQJTXLMYYCDN-UHFFFAOYSA-N 431.474 2.022 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1(CNC(=O)OC(C)(C)C)CCC1 2337288843 BWDRYSZDNUEHBV-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC(C)(C#C[C@H](N)[C@@H](O)c1sc(Cl)cc1I)S(C)(=O)=O 2366653992 QQIQQFUEKHLXBU-WCBMZHEXSA-N 447.747 2.193 30 10 IEEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 96351166 NGCXTGSKQRHUSX-UHFFFAOYSA-N 429.436 2.117 30 10 IEEE O=C(O)CN1C(=O)C(=O)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 103100596 LUAZUANTMXRDIM-SCDSTIRESA-N 427.325 2.009 30 10 IEEE Cc1ccc([C@@H]2/C(=C(/O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1 103107428 MENAMCGIAKXJGD-FXBHHXAOSA-N 431.514 2.415 30 10 IEEE CCOc1c(OC)cc(/C=N/NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 169905946 HPHMFANBTIESBB-YBFXNURJSA-N 439.446 2.332 30 10 IEEE N#CCC(=O)NCC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1 219529178 MIKBKJRFPWVHJK-UHFFFAOYSA-N 436.512 2.497 30 10 IEEE C=C1[C@H]2C[C@]3(COC(C)=O)CC[C@](O)(C(C)C)[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@H](C)[C@@H]2C[C@H]1O 257377893 AMBIXBPMZZPLEH-NFCKYMJISA-N 438.561 2.219 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1nc(C(=O)OCC)cs1 409826885 RBMLPCSWJVNGQN-XCLFUZPHSA-N 434.518 2.340 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 427984170 OEZKPPLLEQBEGA-JPYJTQIMSA-N 440.569 2.396 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCc2c(Cl)cccc2C1 443548283 CMLUCHFUQBXHPY-MRXNPFEDSA-N 439.951 2.280 30 10 IEEE C[S@@](=O)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 446194136 ADHUIVWAIQUJJU-GWLCNVAXSA-N 426.498 2.136 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 460932356 NTAXFPCRLGJZLB-IAGOWNOFSA-N 443.639 2.299 30 10 IEEE COc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)N2CCOCC2)cc1OC 473907594 BKLLYWOSZMHLRM-IBGZPJMESA-N 449.504 2.066 30 10 IEEE Cc1ncc(S(=O)(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc1C#N 489841525 UVVLOCYEAAVWRL-UHFFFAOYSA-N 436.493 2.269 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491597014 QGBKEEBXIUSWNP-UHFFFAOYSA-N 426.567 2.266 30 10 IEEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 502494919 BSTKTEVTDKEDFM-XOBRGWDASA-N 439.534 2.200 30 10 IEEE COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 507026027 LKEFEQYJARXWMP-SNVBAGLBSA-N 439.852 2.443 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1c1ccc(Cl)cc1 509149330 FKJRDRKHASKXSG-RXVVDRJESA-N 438.919 2.410 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CCN1Cc1ccccc1 512673015 NZUXLPIAMBBHJV-DEOSSOPVSA-N 433.556 2.438 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)NCCS(=O)(=O)c3ccccc3)CC2)cc1 517866224 HBMTVEKOHVGWNR-UHFFFAOYSA-N 426.542 2.249 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](C(N)=O)c3ccccc32)CC1 540574740 FRKYNIQLNMVBRV-IRLDBZIGSA-N 435.503 2.014 30 10 IEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 549637009 IWAPBTKMJKLORZ-IBGZPJMESA-N 431.585 2.251 30 10 IEEE CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)[C@H]1n1cccn1 575434630 KLHJBJFGOTVRKK-IIAWOOMASA-N 425.308 2.214 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(C[C@@H]3CCCO3)c2=O)cs1 588152307 NMOAICPBNVKWQM-ZFWWWQNUSA-N 431.583 2.226 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 588156311 VSYQMYDXYQSBRU-UHFFFAOYSA-N 449.557 2.240 30 10 IEEE COc1cc2nc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)sc2cc1OC 590659661 SJULTAKLLVLQGT-UHFFFAOYSA-N 432.483 2.102 30 10 IEEE COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 619569775 NNPDJWJTBNBTLM-GOSISDBHSA-N 439.903 2.378 30 10 IEEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 679493904 IRBNRNFMKOTEQT-UHFFFAOYSA-N 436.452 2.305 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cc(C)on1 730138285 KMALLEBVHFIGLH-SFHVURJKSA-N 445.545 2.191 30 10 IEEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cc1 730139514 QSOSJGWHCNTOBQ-MOPGFXCFSA-N 448.589 2.264 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(C#N)cn2C)ccc1C 751727995 DLSLTKQUZYQKAT-UHFFFAOYSA-N 432.502 2.031 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)O[C@H](C)C(=O)N(C)CCC#N 756744034 AMXOKDLZSUISHX-CHWSQXEVSA-N 445.335 2.163 30 10 IEEE C=CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 772715250 GVEPDHRAGOBCPM-UHFFFAOYSA-N 442.946 2.406 30 10 IEEE C[C@@H](NCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1cccc(C#N)c1 775338005 NQVCQBCDHYWFDV-DQXUBXGMSA-N 438.553 2.354 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NS(=O)(=O)c1cccc(C#N)c1 778287848 DYHWCPVWTHXMJF-HXUWFJFHSA-N 425.510 2.363 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)n1 788814334 NOQRFWBULADBHG-GOSISDBHSA-N 436.578 2.234 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCCOc2ncc(Cl)cc2Cl)n1 789107462 SZTMJTWOMKQLKN-UHFFFAOYSA-N 426.304 2.455 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCCC2)nc1 789968659 ZHLDPMASHKVUSY-OAHLLOKOSA-N 426.550 2.158 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(N4CCCC4=O)c3)cc2C1=O 800717485 UZIAMGGQCXBBLB-UHFFFAOYSA-N 447.447 2.391 30 10 IEEE CC(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802671279 RULUMXHSFJAKNN-GOSISDBHSA-N 428.562 2.181 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 803519399 FDHFDFHJEYASAJ-IBGZPJMESA-N 442.537 2.267 30 10 IEEE C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H]1CNC(=O)OC(C)(C)C 804158739 AARCJIVWHOLQGD-RDTXWAMCSA-N 432.496 2.465 30 10 IEEE C#CCC(CC#C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 807168103 COSJOSUFQMKVOU-UYAOXDASSA-N 429.561 2.404 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 812754848 DLCIOAFGFQDJBS-INIZCTEOSA-N 425.279 2.357 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 920082566 MDJOBFIYCPOKNO-GHRIWEEISA-N 444.516 2.270 30 10 IEEE CSC(=C=[N+]([O-])O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1088689428 DHCIVKLGJOWZRL-UHFFFAOYSA-N 437.356 2.417 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1134246552 AOBZBDHCWJEUGR-QGZVFWFLSA-N 434.499 2.340 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1134701692 JIAPUILIISBFIH-GJZGRUSLSA-N 446.529 2.431 30 10 IEEE C[S@](=O)C1(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCN(C(=O)OC(C)(C)C)CC1 1175029657 JOEOBSAZATVOGB-JJCDCTGGSA-N 431.558 2.290 30 10 IEEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1179650569 GQNWOOUTZZNDHP-PZTGFMGMSA-N 439.578 2.056 30 10 IEEE CS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1197319783 ANLVKOODWTYTNQ-UHFFFAOYSA-N 429.317 2.203 30 10 IEEE CC(C)O[C@@]1(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCOC1 1209025180 DQUIRCUIRYSKBM-NRFANRHFSA-N 435.546 2.123 30 10 IEEE C#C[C@@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 1212072158 LDAQHYOPWVPVPQ-LJQANCHMSA-N 446.912 2.247 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)CC1 1214197181 VYKCLTLIXQHFAF-UHFFFAOYSA-N 436.578 2.165 30 10 IEEE CC(C)(C[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O 1226109925 DBITWFSZJATWRC-MJGOQNOKSA-N 425.533 2.377 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1233852047 JMTLHTRDJPLPHY-DOTOQJQBSA-N 444.488 2.136 30 10 IEEE C=CCn1cc(CNC(=O)c2c(C)cnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1276652550 WMUPNDYUFHNJAZ-KRWDZBQOSA-N 429.525 2.471 30 10 IEEE C#CCCCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1286334017 CUSOHVQAZFACGJ-HYBUGGRVSA-N 445.608 2.423 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286340089 VYYCBCRQAOQAJG-HXUWFJFHSA-N 429.502 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(=O)N(C)C)c1 1286414978 FUYVAMIPSNKWGE-UHFFFAOYSA-N 443.555 2.157 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1286463882 VQICCMWOPDEZMX-LJQANCHMSA-N 432.546 2.007 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1286472349 GZJFJTLWIUAGLF-QHCPKHFHSA-N 442.564 2.019 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286474347 DEPYBNNGPADQSO-UHFFFAOYSA-N 440.548 2.469 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1286480871 PXGTYPNFPRSQSQ-LJQANCHMSA-N 427.524 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCCS2)CC1 1286488001 JSBONWLHZWKOED-PKOBYXMFSA-N 449.621 2.254 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286566950 KPNQYJDECNZISK-HUUCEWRRSA-N 444.602 2.204 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N2CCCC2)CC1 1286638056 SWTDXUGTNCRHBC-ZWKOTPCHSA-N 448.593 2.475 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(F)(F)CO1 1286767709 DRKBXSXPFOHLPI-CYBMUJFWSA-N 425.436 2.069 30 10 IEEE CC(C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1287517400 QBBXLCYRGSJKES-QQMHEVNUSA-N 438.536 2.077 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 1290694023 AAETVBPAPOGYRQ-LJQANCHMSA-N 429.517 2.286 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)s1 1292797590 DWNSPMOKZFDUFT-UHFFFAOYSA-N 425.518 2.416 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298535470 FNPHADHCUXCJIB-HYHOCUEZSA-N 436.516 2.477 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O)C(F)(F)F 1299601347 KWSABPDMBOBXMO-HNNXBMFYSA-N 445.467 2.265 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@]2(O)CCSC2)c1 1300333894 DZWAPUOFJWBJHM-QFIPXVFZSA-N 425.558 2.155 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncnn1CC(F)F 1300357761 XASHVUXDZHVZGW-UHFFFAOYSA-N 446.462 2.302 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300574860 NLGXRDWEQSZNCN-NRFANRHFSA-N 447.543 2.116 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1300751649 NMQVFMIZSUPSSI-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301229030 FBKYURAKTIZTDO-UHFFFAOYSA-N 426.569 2.444 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301585595 DBSAWDJRZGECTG-UHFFFAOYSA-N 449.621 2.060 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C[C@H]1OC 1302419328 NUGKTZAHEFIJHW-YSIASYRMSA-N 427.505 2.005 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 1312830150 QFFZJRUCHHGHJV-RBUKOAKNSA-N 430.505 2.277 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)C1 1314011705 ZEPLTIRPWAZZBF-MRXNPFEDSA-N 444.492 2.115 30 10 IEEE CCO[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1314058260 CQEOIPVVVONKNB-RTBURBONSA-N 430.553 2.228 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1358905171 UFLCHVYTUVEIAU-AVRDEDQJSA-N 445.589 2.098 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1358924713 GEMXQNQPJUASSR-WMZHIEFXSA-N 445.571 2.219 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(NC(C)=O)c1 1358970033 CVCQIBBOWLRIJT-XMMPIXPASA-N 435.528 2.398 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cccn1 1359020194 UTGJMGOEHDITPM-UHFFFAOYSA-N 432.326 2.409 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(CC)CC)CC1 1359038777 KKXORJNQBPCYTF-HXUWFJFHSA-N 435.576 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)=C(C)C1 1359330847 FFUYXNGFGSBQGM-UHFFFAOYSA-N 433.534 2.153 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 1435523105 CFMSJUZZJFEKIX-UHFFFAOYSA-N 446.550 2.196 30 10 IEEE Cn1cc(C(=O)Nc2ccc(Br)c(C#N)n2)c(I)n1 1437011328 YGDIVPGFRFCCAI-UHFFFAOYSA-N 432.019 2.306 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)OCC 1438405272 XJFNTJMVQDYOBN-VQZRKKFQSA-N 427.929 2.314 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@@H](NC(N)=O)c4ccccc4)CC3)n[nH]2)cc1 1452949825 CRIBNNYJGQIYKQ-HXUWFJFHSA-N 443.511 2.397 30 10 IEEE C=CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[C@H](C)COC 1461524629 VTEMTSDXWWYXHK-CYBMUJFWSA-N 426.443 2.409 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 1469884475 WLVLGRMOOUKXAJ-AWEZNQCLSA-N 439.419 2.009 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCc2nc[nH]c2[C@]12CCN(C(=O)OC(C)(C)C)C2 1470340875 NEAQMIIVQXUGLB-JOCHJYFZSA-N 438.488 2.225 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NOc2cccc(C#N)c2)C1=O 1471085982 PFDQHCQLHPRWBN-LJQANCHMSA-N 443.257 2.198 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21 1472162302 GNGBYMUCOGNQMI-UHFFFAOYSA-N 429.458 2.438 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CCO1 1473683755 WUFGWGXAZJFPIS-MBSDFSHPSA-N 431.533 2.381 30 10 IEEE C=CCOc1ccccc1CNS(=O)(=O)c1cnn(C)c1I 1474974275 YUUYUXVNZXBDBO-UHFFFAOYSA-N 433.271 2.068 30 10 IEEE CCOCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1503168897 LIMHQPQBXMQWHO-GOSISDBHSA-N 446.939 2.407 30 10 IEEE COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)cc1O 1504279020 FLFBGYYYANLYNV-MRXNPFEDSA-N 426.502 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(F)(F)C1(OC)CCOCC1 1507512753 GPTZPWIAQNXVSI-OAHLLOKOSA-N 441.523 2.485 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507627547 DOJUTBQXIYDWLJ-NRFANRHFSA-N 441.601 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)oc2ccccc12 1507642352 JCSIYUWGNQPVMK-OAHLLOKOSA-N 425.514 2.064 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC(F)F)c1 1507652621 JZQRNSXTNNFXCU-INIZCTEOSA-N 443.454 2.155 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(C)ccc12 1507652934 KJFMRKHDOHMQFV-IBGZPJMESA-N 435.553 2.285 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC(O)CC1 1507653282 VSZWXZVUKACCKM-UHFFFAOYSA-N 427.499 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1507655170 AGJKTKXMLBTLJD-UHFFFAOYSA-N 442.458 2.093 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507750955 IUJGJHMOSAZCSP-OALUTQOASA-N 431.606 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508071979 AINKOZXRHVBKDE-UHFFFAOYSA-N 449.902 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)S[C@H](C)C1 1508078969 LZCDCCSGLJIRMA-GASCZTMLSA-N 429.546 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1cccc(Cl)c1 1508079876 GAQNUBXGMGCHQA-UHFFFAOYSA-N 429.912 2.149 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCS(=O)(=O)C1 1516334299 DYNRYLVEQPZJGH-IRXDYDNUSA-N 447.561 2.286 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2[C@@H]2C[C@H]2CF)c1 1517017199 BUEOAINPGLZJNY-GMBSWORKSA-N 436.488 2.168 30 10 IEEE CC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ccccc1 1525819433 OJDXVVPUNIAUCP-BSYVCWPDSA-N 428.514 2.491 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1529728121 YLZSZDRVZGQJQK-WMZOPIPTSA-N 444.532 2.452 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccsc1 1538992787 YJZLNAAHOHVRSI-QVKFZJNVSA-N 434.529 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C1CC1)N(C)C 1539232714 MZMKBYIFPHEKQT-HXUWFJFHSA-N 438.963 2.275 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSCC(C)C)CC1 1539430351 JDPDGELQFVXYPJ-QFIPXVFZSA-N 435.638 2.463 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCSC2)CC1 1539434301 HLPFSFKQMCTBJU-NRFANRHFSA-N 449.527 2.170 30 10 IEEE CC(=O)N1CCCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1539532378 SUBRGQFGQXNCKD-HXUWFJFHSA-N 426.517 2.473 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1539599264 BXEYKLQYUDZACA-ZIAGYGMSSA-N 433.372 2.094 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1539649752 CROWXPSVOADRRW-QZTJIDSGSA-N 426.631 2.411 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)c2ccccc2F)cc1 1539692176 BDMKXFZTONWCTD-UHFFFAOYSA-N 431.489 2.453 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1539750957 XXTRZXIYJCWDPC-HXUWFJFHSA-N 441.532 2.346 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(=O)NC)CC1 1539849655 ZRINJRNOQCNRDE-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539966201 GKOMZTJNNHMHKH-KRWDZBQOSA-N 425.599 2.389 30 10 IEEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n(C)n1 1542998333 OPSZJYOONYPKQX-QUCCMNQESA-N 432.532 2.250 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1552680437 GUTRUAPQCVGNKP-INIZCTEOSA-N 436.438 2.453 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1552919827 GEKNSPYBVBJCEY-OALUTQOASA-N 429.546 2.399 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cc3ccc(C(=O)OC)cc3o2)c1 1558757588 KSGGPAFQMOHBLU-UHFFFAOYSA-N 440.477 2.103 30 10 IEEE N#CC1(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCOCC1 1558775657 ACKAKWLKFBHCHW-UHFFFAOYSA-N 439.537 2.484 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 1583263190 LHIZFESEXAITNX-IBGZPJMESA-N 445.472 2.170 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1587527422 WCPUZYQYDZVART-ICSRJNTNSA-N 437.393 2.157 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1587765969 NGPSRWAUIIZWSZ-SJORKVTESA-N 432.550 2.059 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC)C1 1588194180 QGORRAMHPXGEFZ-LJQANCHMSA-N 439.585 2.153 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1588310082 OREPIEQZCFSURX-QHCPKHFHSA-N 432.484 2.152 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(c2cccc(OC)c2)CC1 1588559459 HVFMBMHQQKZXDH-UHFFFAOYSA-N 437.544 2.341 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@@H]1C 1588612740 JWKMRTMCKKYGLF-PKOBYXMFSA-N 426.517 2.475 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593932952 SHFJYBHMWAPEMA-FUHIMQAGSA-N 426.945 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C)C1 1595784546 IRJFPGZJIKQGOC-MRXNPFEDSA-N 429.546 2.263 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)C2)c(=O)nc1O 1607497628 KLZJULWGYHRXJJ-UHFFFAOYSA-N 436.374 2.027 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1612495772 BYSHRWTVCRIGFG-NQIIRXRSSA-N 445.593 2.095 30 10 IEEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1612787230 CRROWIWAEKRYPG-SJLPKXTDSA-N 428.562 2.335 30 10 IEEE CCOCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(O)(CC)CC 1616910617 HSQYYIGEAZBINO-UHFFFAOYSA-N 443.552 2.429 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C[C@@H](C)O1 1620420083 SNRGTCVQASEBPE-VLIAUNLRSA-N 440.500 2.175 30 10 IEEE C#CCN(CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)C(=O)OC(C)(C)C 1624392688 NNIKLIZUEIGUNT-NRFANRHFSA-N 428.577 2.352 30 10 IEEE C[C@]1(C#N)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 1626948349 NMCUTIGSXHVLJN-KDOFPFPSSA-N 425.272 2.339 30 10 IEEE COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@]2(C#N)CCCOC2)c1 1632566081 HSIBHHJANQZRDO-HXUWFJFHSA-N 431.470 2.460 30 10 IEEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1636546317 OKOPTSLXYHLOGT-FZKQIMNGSA-N 447.488 2.076 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](c2nncn2C)C1 1643830244 GYMPOQSSSRCESP-ZDUSSCGKSA-N 434.294 2.243 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1644466414 PBOXSWIEGXIHLF-GFCCVEGCSA-N 431.352 2.030 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1647780173 DQFAGDWNBZAVQJ-YADHBBJMSA-N 435.547 2.456 30 10 IEEE COc1ccc([C@H]2CCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1653575263 BCEJBOXBLPRLKX-GOSISDBHSA-N 428.514 2.273 30 10 IEEE C=CC[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1654348733 UMHDXHCIYAJNHY-OAHLLOKOSA-N 427.954 2.197 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 1675729833 LOWFHYARGISRNH-UHFFFAOYSA-N 440.569 2.003 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](NC(=O)c4ccccc4)C3)C2=O)cc1 1680779456 XXCYKGRIDYYYDH-YADHBBJMSA-N 445.523 2.263 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1683911886 KETBOYQVABRQCK-AVRDEDQJSA-N 432.521 2.259 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(N2CCCS2(=O)=O)CC1)c1ccc(Br)cc1 1686919597 IVZDWEQZAKGDED-QGZVFWFLSA-N 440.363 2.333 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN1c2ccccc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689979779 GZTHXWHEEZVCHC-UYAOXDASSA-N 441.601 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)COCCO1 1690031329 HEYGHCJIOZAEHA-DEOSSOPVSA-N 435.528 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(C)CC1 1690100877 GDMCACVYNCAEGU-UHFFFAOYSA-N 442.564 2.214 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](CC)C1 1690239514 XSIFYOOXVPEGIF-VQHPVUNQSA-N 443.639 2.201 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690245081 COYONFBVJYAKGR-SBHAEUEKSA-N 431.581 2.458 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690502803 HCKDRRABHDBDKB-FQEVSTJZSA-N 435.532 2.450 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1690526681 BUHADQZEQMVIOB-HOTGVXAUSA-N 441.598 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)c1cc(OC)cc(OC)c1 1690722789 VPHYAHOJSPIGCS-UHFFFAOYSA-N 446.533 2.065 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690748872 JVNGKRYRJCRNAS-KRWDZBQOSA-N 427.534 2.452 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1C 1693151525 XOISSSRVCGVWAQ-SIKLNZKXSA-N 427.505 2.008 30 10 IEEE CCN(CC)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cn1 1695623096 AGLHWBXMCWWUSM-FQEVSTJZSA-N 432.532 2.282 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H](OC)C(F)(F)F 1696298095 ACVMWQIBEWBQQX-HNNXBMFYSA-N 440.426 2.317 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)NC(=O)OC(C)(C)C 1698450694 NAZCOEORSZOGHY-OAHLLOKOSA-N 444.561 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)N(C)C 1705474140 CWMJDUXFRUVWAL-HNNXBMFYSA-N 430.940 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1705503178 QMQHECGZTWMBBJ-AWEZNQCLSA-N 442.570 2.219 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705522433 FPRZNADZMWBRSG-CEMLEFRQSA-N 442.608 2.312 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1705524874 UKBKUNXFTWUDBV-SFHVURJKSA-N 442.539 2.229 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705560387 GLZJTSUTAHJFKL-AWEZNQCLSA-N 428.436 2.143 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C 1705629745 UBGDMXSJVRGCBG-UHFFFAOYSA-N 436.553 2.307 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOc2ccc(C)cc2)CC1 1705638683 TWOOWRKAKMTYAU-OAQYLSRUSA-N 436.560 2.152 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[S@@](=O)C(C)(C)C)CC1 1705647690 IEOWZUQEUIHNAD-FZEVHQGJSA-N 449.621 2.033 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1705829310 NCYKSEQUNDQIRH-LJQANCHMSA-N 435.532 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 1705937684 BGTXOOQZYHFPSN-OAHLLOKOSA-N 440.953 2.336 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1706074699 CMQXSYJFOQZGCU-LVCYWYKZSA-N 434.610 2.323 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1706746971 GUFDFEZMFKRAQD-HKUYNNGSSA-N 425.537 2.190 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1706854152 XXGNSOIHDQVCSB-QAPCUYQASA-N 446.577 2.211 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1706940437 FHQXJRKMZQHJOR-JOCHJYFZSA-N 435.463 2.013 30 10 IEEE COc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)c1 1711911012 PFLSKXMLGYNOTQ-UHFFFAOYSA-N 441.513 2.480 30 10 IEEE COCCn1cc(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)cn1 1712467379 CCEYYKONKWXSSO-NRFANRHFSA-N 443.458 2.329 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCC1=O 1722292193 MMIANQTWSVXLSH-MRXNPFEDSA-N 433.516 2.454 30 10 IEEE C#CCCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722340484 ADNIKEWESCIEKW-QHCPKHFHSA-N 429.565 2.181 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(OC)cc2)CCC1 1722351134 HFYDOLDIBKWDCA-QGZVFWFLSA-N 428.558 2.380 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1722357866 RXZKXMGXDQDMLK-KRWDZBQOSA-N 433.553 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1722390399 CGPXOEQGSWEQPD-OFNKIYASSA-N 442.560 2.325 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1Cl 1722396460 IQHLFBMAJIESHQ-KRWDZBQOSA-N 446.960 2.376 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ncnn2C(C)(C)C)CC1 1722433621 CDKVXCXDEJPXMH-UHFFFAOYSA-N 449.519 2.003 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1722443650 LUQQSJAOBSGTSX-DEOSSOPVSA-N 432.528 2.352 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccco2)C1 1722720193 HXGHGIBPNTVFGZ-AVRDEDQJSA-N 426.521 2.422 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722740264 MTZUJJSEEORAME-INIZCTEOSA-N 436.582 2.063 30 10 IEEE CCOCCOCc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1729175690 HQFMDMUZROQPPB-SFTDATJTSA-N 441.532 2.112 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)C1 1731001112 UUBHZLZQSKUJKZ-IBGZPJMESA-N 436.497 2.343 30 10 IEEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CC1 1731019717 CEHZMWMYIBSTAM-WJOKGBTCSA-N 440.573 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Cl)cn1 1740546361 HJJNZKHBHUCMJW-AWEZNQCLSA-N 446.968 2.246 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1740560784 PQHUKSKIHIGBCO-HKUYNNGSSA-N 430.574 2.355 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740585316 QFINUCIIVAUKMG-ROUUACIJSA-N 438.532 2.444 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740594702 AKHYMSZXWHQHHF-GSHUGGBRSA-N 443.573 2.456 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1740616069 RMWDJWYUYZAIJT-VDVULAQNSA-N 434.606 2.144 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1740624012 CCHGMRNFRGXMDA-LJQANCHMSA-N 430.574 2.229 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740627307 PFYDATHDUMXZKU-RBUKOAKNSA-N 435.638 2.368 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCC(=O)NCc2ccccc2)CC1 1740699035 SVCNHHMCDWGCBT-UHFFFAOYSA-N 434.588 2.473 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1740710286 VJVZBDPKSADNGH-LJQANCHMSA-N 440.617 2.493 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740724278 ZYJLAPXATRQYBU-QGZVFWFLSA-N 443.577 2.011 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](OCCOC)C1 1740750192 NVTLGSMMBJXRDE-JYJNAYRXSA-N 445.358 2.152 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740755252 JHBDZVVVWHTYDF-RBUKOAKNSA-N 431.562 2.008 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740786746 MZYIAHKZHZOIEQ-SFHVURJKSA-N 440.548 2.407 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1)c1ccccc1 1740796834 FSIWHDLYAIFFIH-IHPCNDPISA-N 445.589 2.465 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740884965 RXKUBUSMXMCJBN-QGZVFWFLSA-N 427.553 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CCC(N)=O)CC1 1740955003 VCXRTXGIPOFLAH-UHFFFAOYSA-N 436.516 2.475 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748820023 XKYCHWWMUBRHEV-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOC)CCCC2)CC1 1748994983 VDWQDLQBFGMPKV-UHFFFAOYSA-N 439.608 2.492 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749097904 KKCIBRVDUVCXDW-AWEZNQCLSA-N 437.342 2.221 30 10 IEEE C=C(C)Cn1c(N2C[C@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749207333 IYRIBPFNDDFNPA-NCOADZHNSA-N 430.553 2.340 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749228890 FCJTXODXURZJOW-HXUWFJFHSA-N 446.596 2.493 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1749689269 GJFIGESGOLMVAJ-MBSDFSHPSA-N 443.548 2.413 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)C1 1750378789 MKQJGHRLDQGDQR-SJKOYZFVSA-N 440.451 2.136 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)n1 1751614146 HRJKZYKWJSXRNS-UWJYYQICSA-N 449.481 2.447 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1760111912 WMLKDFFXPXPRSY-SJORKVTESA-N 438.532 2.184 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)OC(C)(C)C 1760114088 FYQWHPOUVCJJPX-CQSZACIVSA-N 430.509 2.379 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nnc(C)s1 1760233276 TYSATVVTFFWVIK-UHFFFAOYSA-N 448.556 2.444 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N(C)C)CCSC1 1760237374 HOYPJMPNPMMHQC-HXUWFJFHSA-N 432.619 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@H]2C)CC1 1760264972 IYQJWVOSHFIWBF-IEBWSBKVSA-N 449.559 2.327 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1CCCO[C@@H](C)C1 1760289676 QQQJMKGLPJZJRX-SXWKCWPCSA-N 433.597 2.495 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](COCCOC)C1 1760305563 JYYTYAUGGLMARS-AWEZNQCLSA-N 425.331 2.077 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)C)CC1 1760314810 ZIFMVVRNAMJMJE-AZUAARDMSA-N 430.597 2.462 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760356399 MPNGIEFVRPILOK-DLBZAZTESA-N 445.593 2.162 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1760488969 LQZRQWSPLOLNSM-MRXNPFEDSA-N 447.561 2.276 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1760514476 GWTLERRNSGGBKL-KRWDZBQOSA-N 440.548 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCO[C@H](C)C1 1760558645 WAMWMOVJVYBGET-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760867544 YIUPEIGGBIMIHT-AVRDEDQJSA-N 426.521 2.462 30 10 IEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1761256638 BNHJGMSDRNNRLE-UHFFFAOYSA-N 435.488 2.194 30 10 IEEE Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1762203648 MZWYWNUDKDMOKC-UHFFFAOYSA-N 435.488 2.209 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@H](C)O1 1763089149 GPAVWOODLKIDIN-HOTGVXAUSA-N 429.546 2.255 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1764130619 HOOCAOVQECSXIS-UHFFFAOYSA-N 446.577 2.389 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)C1 1764508129 CHKCWDPNWUKUKC-WOJBJXKFSA-N 440.548 2.221 30 10 IEEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cs1 1767997002 GGDVREFBETYSOH-AWEZNQCLSA-N 437.529 2.307 30 10 IEEE COc1ccc(OCC(=O)N2CCCc3nc(C#N)cc(Br)c32)c(OC)n1 1848734535 ZSHUHARWDHFVNJ-UHFFFAOYSA-N 433.262 2.486 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCC#N)CC1 1850851907 KNBQPQHPRCKGTB-QGZVFWFLSA-N 446.495 2.066 30 10 IEEE CN1CCN(C(=O)CCC(=O)N(c2ccccc2F)c2nccc(N(C)C)c2C#N)CC1 1851250164 NGCCNLXRRYCZKV-UHFFFAOYSA-N 438.507 2.377 30 10 IEEE C=CCC1C(=O)NC(=NC(=O)c2c(C)nn(-c3ccccc3Br)c2C)NC1=O 1851490139 MKHHZRPUVSVMHC-UHFFFAOYSA-N 444.289 2.186 30 10 IEEE N#Cc1ncc(C(=O)N(CCCN2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cn1 1851490484 DOFRBSAKQLZZOT-UHFFFAOYSA-N 433.921 2.319 30 10 IEEE Cn1cc(C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)c(C(F)(F)F)n1 1851714814 GPNZBXJEHYSEJJ-UHFFFAOYSA-N 448.858 2.399 30 10 IEEE COc1cnc(C(F)(F)F)nc1N1CCN(CCNC(=O)Nc2ccc(C#N)cc2)CC1 1852325873 QKYPQTKAYXAXKS-UHFFFAOYSA-N 449.437 2.319 30 10 IEEE Cc1nc(C(=O)N2CCC(NS(=O)(=O)C3CC3)CC2)c(C#N)c(C)c1Br 1853357234 CPRZSSVIIGVQQP-UHFFFAOYSA-N 441.351 2.019 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@@H]2C)ccc1F 1857487899 GNRFCOIKJDGTRK-HNNXBMFYSA-N 429.473 2.376 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cccc(OC)c2)cc1 1858975279 UOHQNGOMKSIWIZ-FMIVXFBMSA-N 443.525 2.241 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCCO)cn1C[C@@H](c1ccc(O)cc1)N(C)C 1870370253 OQIISBDWSKTPIW-QFIPXVFZSA-N 427.545 2.402 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1ccccc1 1870522238 ZCFOIAWIOPKRJL-UHFFFAOYSA-N 425.529 2.212 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CC)CC)cn1CCc1cnc[nH]1 1870630379 QOCODAUAQNAYOG-UHFFFAOYSA-N 427.549 2.235 30 10 IEEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540843 GDBQZGSJPLUTMR-UHFFFAOYSA-N 436.520 2.032 30 10 IEEE CN(CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Cc1ccccc1 1891466577 FNPLDPMMPAUESO-QHCPKHFHSA-N 439.581 2.481 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)C#CC(C)(C)S(C)(=O)=O)Cc1ccccc1 1901325799 MLWRFRNVYKOSMQ-UHFFFAOYSA-N 436.574 2.409 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010541637 WTGUETALBDZUNY-HSALFYBXSA-N 428.533 2.105 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068910815 GEDXETHICHNJPV-UHFFFAOYSA-N 435.374 2.233 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085660856 NKJFLBKYAMZZLM-QLPKVWCKSA-N 429.326 2.432 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@@]21C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124523234 CTIBMHJRRJCSCR-ZIACGZRISA-N 444.341 2.408 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243417375 OCKIVQDBMWXKEM-OAHLLOKOSA-N 430.376 2.493 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255650007 XPSXYOZBFCEKAF-CYBMUJFWSA-N 437.321 2.411 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255653648 LTZDVPDPKUPLQM-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808819 OOJAEMFZYSHDOA-GJZGRUSLSA-N 431.342 2.271 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255814176 YNVRXQLALCDPPS-BFHYXJOUSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826003 JCIZQTMSKWHYOW-DZGCQCFKSA-N 434.346 2.132 30 10 IEEE CON(CCNC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255860319 AUBOBWVENBVQFO-UHFFFAOYSA-N 435.330 2.218 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258227455 UNKDDHCUSQDODN-LLVKDONJSA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCN=c2cc(B3OC(C)(C)C(C)(C)O3)cc[nH]2)CC1 2266058921 GKVVCYUQDQOJES-UHFFFAOYSA-N 446.401 2.157 30 10 IEEE Cn1ncc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267003319 NDRUQRNXPBVUQQ-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267190716 SODCULZDJYETRD-OAHLLOKOSA-N 447.316 2.425 30 10 IEEE CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267877041 QTYFAGZMVPQZEL-QFIPXVFZSA-N 446.357 2.199 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 2297747303 OUJQAAQCMDNVCP-FQEVSTJZSA-N 442.468 2.051 30 10 IEEE C[C@H](C#CC(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302413875 AMDKFCCJLHRMOC-XCGNWRKASA-N 439.553 2.027 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2315694637 BTBYXWKJDSTTDN-KRWDZBQOSA-N 438.362 2.292 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2cccn2C)cc1 2326251932 DLZXJRRWPUZOEK-UHFFFAOYSA-N 428.518 2.096 30 10 IEEE Cc1ccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2327809560 HDISGFYMEJGPSQ-CQSZACIVSA-N 438.305 2.257 30 10 IEEE COc1cccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1OC 2327904364 DMDARLBAGBVTET-OAHLLOKOSA-N 447.561 2.376 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)cc1 2331311279 LQJOOWLFNMEUNJ-UHFFFAOYSA-N 425.514 2.463 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337196775 OWTOPLYFUTXEQB-PKOBYXMFSA-N 438.381 2.217 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2337198972 PSNOQZFDVWMXNT-CQSZACIVSA-N 448.373 2.095 30 10 IEEE COc1ccc(NC(=O)c2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)c(OC)c1 20618086 AFGJIWNPBVDDEM-AEFFLSMTSA-N 447.538 2.446 30 10 IEEE Cc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccccc2)cc1 254484387 NADUHCVWMAAGLE-KRWDZBQOSA-N 448.483 2.030 30 10 IEEE CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 409497684 CBHSHOYRTWAXHF-QGZVFWFLSA-N 430.534 2.322 30 10 IEEE C=CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 410075498 RVXHFISNHNWHJA-LJQANCHMSA-N 447.532 2.003 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCC(=O)Nc1ccccc1C#N 432528383 VLYOKMSIZLHXLF-UHFFFAOYSA-N 426.498 2.164 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3CC(=O)c3ccc(F)cc3)CC2)o1 441394185 JVBIJAHDTCWMEB-IBGZPJMESA-N 439.491 2.380 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1 464749876 KEAKLXRPPPANMB-UHFFFAOYSA-N 431.399 2.315 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 481912947 KHQUCGFQMJFYSD-UHFFFAOYSA-N 438.916 2.449 30 10 IEEE CO[C@@H](C)c1nc(CN2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cs1 489581076 DZVCUTZBHHPQFU-HNNXBMFYSA-N 435.575 2.322 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O[N+](=O)[O-])CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504231798 LURMPNRKWFDKMB-ZOIYQOIBSA-N 449.500 2.114 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1OC 505149121 QHECWLHHARAMFD-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 515570918 OWGOTOMIKYRZEI-APWZRJJASA-N 443.525 2.099 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1=O 544031428 GUYLTYVMFBBWPX-IBGZPJMESA-N 433.468 2.385 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 552860450 UYVPIEQPVFFXFF-UHFFFAOYSA-N 426.889 2.242 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(n2cc(C(=O)OC)nn2)CC1 555244341 HIZUDUCZQYEDFV-UHFFFAOYSA-N 425.493 2.452 30 10 IEEE N#Cc1c(F)cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 555599344 GALMOUKOXYVNSE-UHFFFAOYSA-N 449.479 2.106 30 10 IEEE Cc1ncc(S(=O)(=O)N2[C@H](c3ccc(F)cc3F)SC[C@H]2C(=O)O)cc1C#N 569418260 JSECSXSVAIQQBT-HOTGVXAUSA-N 425.438 2.429 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 575756317 HEWRCAWDYDKDSM-CRAIPNDOSA-N 437.541 2.490 30 10 IEEE N#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 602024805 WNDHXPMHYSPGMQ-QGZVFWFLSA-N 433.461 2.036 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 610893620 JBZINWQCFBYZQW-NRFANRHFSA-N 445.458 2.176 30 10 IEEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 618797888 WSYQWOBXVVAVDG-SFHVURJKSA-N 446.554 2.127 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)cc1 729557773 CJNSIQBLXMAHOQ-FCFMXISVSA-N 430.530 2.225 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)cc1 729557775 CJNSIQBLXMAHOQ-XFBWPPDYSA-N 430.530 2.225 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O 730141793 PCXOJWRXEYMBTD-SFHVURJKSA-N 429.521 2.420 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2ccccn2)cn1 730145054 VZZLAQYNHCGBSJ-YJBOKZPZSA-N 443.577 2.059 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3cc(C)cc(C)c3)c2=O)cc1[N+](=O)[O-] 730251494 GGKTVBJFVFHRQY-UHFFFAOYSA-N 432.461 2.459 30 10 IEEE N#C[C@H]1CN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCN1C1CC1 732663999 APNHVSUIQZOSDU-FQEVSTJZSA-N 442.516 2.368 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(C(F)(F)F)c1 741341106 ICQCXCHRIIPIQB-QHKYSRAXSA-N 425.363 2.492 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O)c1ccc(C#N)cc1 757836694 USBLTUYZTNTFIR-SUNYJGFJSA-N 427.457 2.062 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cnn1CCO[C@@H]1CCCCO1 760400671 DLRQJSYHKXCEFT-GOSISDBHSA-N 438.550 2.268 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 767829558 ILSFTTYZIGELKW-UHFFFAOYSA-N 431.308 2.080 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 777695323 FVDSUPAWSUVLSM-BRWVUGGUSA-N 443.552 2.356 30 10 IEEE Cc1nc([C@H]2CCCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 779699443 HOAQZXJZEGMODQ-MRXNPFEDSA-N 431.518 2.341 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)c2ccnc(C#N)c2)ccc1C 795966673 DCRBTFGYCFOPLV-HNNXBMFYSA-N 444.513 2.476 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808295395 CDKRTKISQFRFFT-ZYSHUDEJSA-N 441.532 2.356 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@](O)(Cc3nc(CC)no3)C2)cc1 856670797 NOGVJBCIYUPJKD-HSZRJFAPSA-N 441.532 2.347 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C2CCN(C(=O)C3CC3)CC2)C1=O 914541010 ISGHYYZOECUCEM-SFHVURJKSA-N 428.558 2.464 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 1142674625 LAXHXFPEVVJFPU-QFIPXVFZSA-N 438.549 2.447 30 10 IEEE C=CCC[C@@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1158289425 VJTRRCPOEOMXFR-MRXNPFEDSA-N 435.525 2.478 30 10 IEEE COCC[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1160703743 VFHDIWXEDBIBRB-QZTJIDSGSA-N 431.489 2.087 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1 1163532990 YJYIMWDBZOZKKK-OTWHNJEPSA-N 430.501 2.414 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 1176872313 XUKYZNYLIHEGQL-UHFFFAOYSA-N 431.452 2.364 30 10 IEEE CN(C)[C@@H](CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1177342028 GCROBKVNOSTARL-INIZCTEOSA-N 448.511 2.284 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)c([N+](=O)[O-])c1 1253169053 IRXZRGURNBQIOC-UHFFFAOYSA-N 449.533 2.304 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)n1 1271205178 ZLSPSNDXCWPSPP-UHFFFAOYSA-N 448.564 2.155 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@@H](C)CC 1286286421 XYTIMXIPEQRUHN-IRXDYDNUSA-N 431.610 2.426 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1286392135 GDLUDHLESZZQFR-FUHWJXTLSA-N 448.589 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286428851 XDHONFKITUZPJL-WOJBJXKFSA-N 431.606 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cccn2)CC1 1286491560 XQFPHZXPCDGIFA-UHFFFAOYSA-N 449.534 2.261 30 10 IEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1286504048 IAILWVXWLCXTAZ-UHFFFAOYSA-N 437.573 2.491 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1286619459 SCLCTLOPTFEWGF-AABGKKOBSA-N 425.533 2.417 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)CC1 1286660653 OTSSYOWEYVPZLR-HNNXBMFYSA-N 434.342 2.291 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)F 1286741773 JWEJHHUQELRWKW-UHFFFAOYSA-N 440.458 2.124 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@H](CC)C1 1286791127 NLJFLBIOKKBEOY-CRAIPNDOSA-N 429.546 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)C1 1286809889 LVBXEGMGPKPKRU-VQIMIIECSA-N 441.532 2.344 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1 1288117506 UHVYSDIRWWHLEO-MRXNPFEDSA-N 441.561 2.237 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1293764769 FWWRKFSNKFMHLA-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1300305279 TXDWDSRTWXGEJH-LHEBDHONSA-N 438.557 2.044 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300489393 NFXNRNPUEVQQMK-LZNRXBQRSA-N 430.574 2.369 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1300650378 UPGSDBUNSWTLMV-SFHVURJKSA-N 426.496 2.244 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2 1300843984 IPOYRLFFONYKPG-CQSZACIVSA-N 440.342 2.260 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1300876255 RSGVTDPCMXQLMQ-FXAWDEMLSA-N 446.596 2.283 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)N1CCOCC1 1300889948 DNTUKUIYTAWIKF-NQIIRXRSSA-N 445.589 2.207 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301054560 SBCHFFJXTBZLDI-SFHVURJKSA-N 426.496 2.296 30 10 IEEE Cc1cc(CC(C)(C)C(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1Br 1301212068 ASMXVOFZQKHCIJ-UHFFFAOYSA-N 433.306 2.277 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1301305155 QGCVZJRYJXZEAX-OAQYLSRUSA-N 438.576 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1Cc1ccccc1 1301578412 ABJUPMLJMSKEFS-HXUWFJFHSA-N 440.573 2.491 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301617305 CEFMMXCLFMHFRT-FQEVSTJZSA-N 431.566 2.090 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1=O 1313920106 BKCOHDHQPBKTJP-LJQANCHMSA-N 438.532 2.214 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCOC2)CC1 1313923956 BKQHHELACOIQBP-PZJWPPBQSA-N 437.592 2.315 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C1CC1 1314894942 IYFSRBHZXVRNRU-UHFFFAOYSA-N 446.353 2.312 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCc2ccccc21 1316269905 PJZDSQSWONTHQQ-DMKCZBPRSA-N 425.533 2.432 30 10 IEEE COc1ccc(CNC(=S)NN=Cc2c(Br)cc(C(=O)O)n2C)cc1 1318551217 BXYCRJXAQVFYOO-UHFFFAOYSA-N 425.308 2.493 30 10 IEEE Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c2ncccc12 1355743265 DXGATIYUXJNOFZ-HKOYGPOVSA-N 426.502 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358879086 KMIPJGVGWFMAJJ-AOMKIAJQSA-N 430.574 2.250 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1358910955 GSQHCXFAGVZWFU-HUUCEWRRSA-N 435.550 2.067 30 10 IEEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1358914817 IHMCLQLITPNTHQ-UHFFFAOYSA-N 448.618 2.310 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1358930636 ZHWZFNNCZBTJKK-GOSISDBHSA-N 435.594 2.185 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@H]1CCS(=O)(=O)C1 1358956440 FZTAEPQDZJDAKM-BJLQDIEVSA-N 447.630 2.358 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358957921 CTCBWUZGOFIJQZ-RBUKOAKNSA-N 445.589 2.348 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959396 IETFPJGBFMGYRR-QWFCFKBJSA-N 428.558 2.305 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1358963076 BJPKPQHPFJXLFY-INIZCTEOSA-N 449.552 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC[C@@H]1COCCO1 1358983493 KIQZDSCUIRTIBO-GOSISDBHSA-N 426.542 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCNC(=O)C(C)C 1358994120 FTBUJKJOVCGJNI-OAQYLSRUSA-N 435.528 2.416 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC 1359070308 KFGQCSNTQSAURX-JPZYQRIQSA-N 441.605 2.213 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)CC1 1359159517 YBFLXNPYFIMCFT-MRXNPFEDSA-N 431.562 2.222 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359164232 JDZQJCSCCRFANU-SFHVURJKSA-N 426.496 2.263 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1359214615 HRZBAVKBCHGYII-SFHVURJKSA-N 425.493 2.430 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1359240427 NZIDDZPWHVMLCB-OAHLLOKOSA-N 433.525 2.059 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@@H]1C 1359292627 UHXJDHWDKLLCDT-DLBZAZTESA-N 429.521 2.344 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359303312 JTKNVFRBAIXRJE-UXHICEINSA-N 425.533 2.350 30 10 IEEE Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1360985942 PHPKYXMFSDIZDG-GOSISDBHSA-N 447.499 2.434 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)CC#CCN3C(=O)c4ccccc4C3=O)C2=O)c1 1459732433 DIMOXCMSYSUWJX-JOCHJYFZSA-N 447.491 2.041 30 10 IEEE CCc1ccc(C(=O)Oc2cccc(OCC#N)c2)cc1S(=O)(=O)N1CCOCC1 1460839614 DFBZCFQKSQLWTR-UHFFFAOYSA-N 430.482 2.391 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CCCOc2ccc(I)cc2)CC1 1465872718 WHJMYRVOPNYFFE-UHFFFAOYSA-N 441.269 2.035 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCCO1 1467293760 OFBCRDVTFHRBLW-QYZOEREBSA-N 430.501 2.310 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1468145968 UTZWJPIGEGOLRS-MSOLQXFVSA-N 430.482 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1469821056 IZAFBBYPRLMWIQ-QXAKKESOSA-N 440.500 2.349 30 10 IEEE CCN1CCN(CCCn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1502357852 DNOLVIXVOLQUOJ-DEOSSOPVSA-N 436.608 2.422 30 10 IEEE Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1503688706 CYEOYWXEUZRSHC-UHFFFAOYSA-N 449.563 2.216 30 10 IEEE COCc1nocc1Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1504662880 WYRZFPNATDOOQL-OAQYLSRUSA-N 442.451 2.490 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCO[C@@H]1CCOC1 1505070039 RIMVMWKJPUJPJL-OTWHNJEPSA-N 433.553 2.328 30 10 IEEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507569471 FROMKUFPLBRQSB-UHFFFAOYSA-N 429.590 2.339 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507580295 ZENITAXCPGMABM-INIZCTEOSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CS(C)(=O)=O)CC1 1507610555 FMQPCMMWSGWITR-UHFFFAOYSA-N 425.514 2.494 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1507611452 NSWRLXAKSPGOMW-MRXNPFEDSA-N 428.541 2.131 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507634825 PYKHOJXYWGNTFD-LEWJYISDSA-N 440.569 2.149 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507849464 XCTFBXASYNYKFX-UGKGYDQZSA-N 435.569 2.016 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2C)CC1 1507885269 WBUOFDZNUWKQDB-HXUWFJFHSA-N 445.589 2.319 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C(C)C)C(C)C)CC1 1507896137 HLTWONUGUDYHCH-KRWDZBQOSA-N 426.631 2.410 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCc3ccccc32)C1 1508109383 QYKNFQKVYOCLHG-JPYJTQIMSA-N 425.533 2.032 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508167470 KRFHAFRLNTZCEP-FXAWDEMLSA-N 445.637 2.216 30 10 IEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1514389937 RSXYJWDENUDSTI-XXBNENTESA-N 438.532 2.212 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1515581765 ZMLZNJCFUMFSGC-NTKDMRAZSA-N 435.576 2.463 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cccs2)CC1 1517589858 HDMYTHUHEZZOGH-UHFFFAOYSA-N 435.557 2.337 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1530737109 ZJURCCBHLMDSQO-RDJZCZTQSA-N 430.364 2.197 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC(C)(C)N2CCOCC2)c1 1539039657 DWSULIPDSNPTIM-UHFFFAOYSA-N 436.560 2.323 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539045461 UZZDGPUUDXLOEX-UHFFFAOYSA-N 428.497 2.166 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1Cc1cccc(N2CCOCC2)n1 1539252738 FHJRDGPINQTZIO-UHFFFAOYSA-N 430.487 2.437 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(=O)NC 1539607280 BEKRUWINCSRXKT-UHFFFAOYSA-N 433.310 2.210 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1539750705 CACJOSVCXQXDCW-IBGZPJMESA-N 446.596 2.491 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(-c3ccccc3)c2)CC1 1539828349 IKFJIXQPLPHPSC-KRWDZBQOSA-N 441.561 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1540902598 MULAIVSGPIWQHF-IRXDYDNUSA-N 426.583 2.372 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540915158 HPBGUBSSNJJBCD-KRWDZBQOSA-N 447.634 2.236 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1542180158 AYYRTTZWWIRMEK-UYAOXDASSA-N 442.560 2.311 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@H](C)O1 1544713096 HTLMUYRSTNBKQT-HOTGVXAUSA-N 429.546 2.255 30 10 IEEE COc1ncccc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1555128193 MOIGZNQILCMWHG-LEWJYISDSA-N 430.484 2.213 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC3(CC2)CO[C@@H](CNC(=O)OC(C)(C)C)C3)C1 1565345976 DFUCNZGQYKBNMM-RTBURBONSA-N 434.581 2.189 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1568991959 BKGPVBYBAKWSCG-INIZCTEOSA-N 432.521 2.351 30 10 IEEE COC(=O)C[C@](C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cccc(OC)c1 1569922991 XDYOPXWGXMLCKA-NRFANRHFSA-N 448.472 2.340 30 10 IEEE C=C1CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCC)C1 1584283310 QWAPLERSMYLUKI-UHFFFAOYSA-N 446.573 2.188 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1586804374 HKEBFGWKCZQQGD-SPLOXXLWSA-N 433.892 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1587561363 DGFCNOQAORVNBY-HOTGVXAUSA-N 443.577 2.095 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)cs1 1587932404 SEJSVQFAGKGTRD-UHFFFAOYSA-N 430.559 2.078 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCCNS(C)(=O)=O 1588482928 YNQDPIRSJBLZMU-UHFFFAOYSA-N 444.536 2.002 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCC2)C1 1589068497 CFQDWRJVHDEEEL-QGZVFWFLSA-N 438.619 2.086 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1589162205 CBXHRTWKMPLYRK-DHIUTWEWSA-N 441.532 2.334 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1594624936 CNYFYZIXPZCYLZ-LXGFNABISA-N 438.594 2.309 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1594807051 CHIXTTKLOHBNSC-IBGZPJMESA-N 427.553 2.422 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CC1(S(C)(=O)=O)CC1 1595100605 RLZVXFTYGUDTKQ-LJQANCHMSA-N 441.557 2.423 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1595115181 GDUJBMNEPQBHTE-WOJBJXKFSA-N 445.589 2.399 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595223441 UPNRKYJICINAAF-INIZCTEOSA-N 436.607 2.094 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595850762 SHAKYLQXODJIMQ-WBVHZDCISA-N 428.518 2.487 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1595855057 WUZREKAVIJPJBP-UHFFFAOYSA-N 436.969 2.208 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1596428860 BBLGKRDZTLYSLW-FZYZMVIOSA-N 440.573 2.223 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1611319105 BNWXFAONQVQZPQ-UYAOXDASSA-N 437.548 2.217 30 10 IEEE C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1612796659 HAFXJTCLKGYYQV-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)OC 1613623458 AXGLJJKOPLQDNE-IBGZPJMESA-N 446.577 2.102 30 10 IEEE C=CCN(C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@@H]1CCS(=O)(=O)C1 1615932019 PBDIATNPHBYJQC-QZTJIDSGSA-N 428.595 2.468 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)N(C)[C@@H]1C 1616142960 RUVOUOGARYZJOK-RFXALINTSA-N 432.951 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@H](OCCO)C1 1616318069 ZZVRTVFZCNDFQH-ICSRJNTNSA-N 429.517 2.392 30 10 IEEE CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1617613685 HSSQYYAALCTNSJ-IBGZPJMESA-N 430.516 2.154 30 10 IEEE CCOC(=O)C1=C(CN2CCO[C@H](c3ccc(C#N)cc3)C2)NC(=O)N[C@@H]1c1ccco1 1620623713 FJVCIPNHTSEUKF-PZJWPPBQSA-N 436.468 2.396 30 10 IEEE COc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)c(F)cc1C#N 1623344278 BPQSATFFOSBXIY-JOCHJYFZSA-N 440.431 2.429 30 10 IEEE C=CCC1(O)CN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 1644589492 TWXBKTGECAKVMI-UHFFFAOYSA-N 427.482 2.304 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)c1 1648105274 QYBLDRCJMJKINX-ROUUACIJSA-N 439.537 2.352 30 10 IEEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)CCOCC1 1665097989 MHURAEWURLZQDY-UHFFFAOYSA-N 436.578 2.477 30 10 IEEE COC(=O)c1cccc2c1CN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1672352850 KLRDRDKQHBQKPQ-NRFANRHFSA-N 432.480 2.214 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C2CC2)C2(CO)CCOCC2)cc1 1673397863 CFMBQTPNLLQPSS-LJQANCHMSA-N 437.562 2.182 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1673741381 JDCSMDVHNLCKKQ-GFMRDNFCSA-N 433.578 2.356 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(Br)cc1 1674715770 GSTDGARHUHAUKA-MRXNPFEDSA-N 446.305 2.000 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CCN1Cc1ccccc1 1675398138 NHHQFWVFHOBTHK-KCZVDYSFSA-N 438.553 2.411 30 10 IEEE COc1cc(I)c(Cl)cc1CNC(=O)NCC#CCN(C)C 1682070710 UGBYLCPFOKABFO-UHFFFAOYSA-N 435.693 2.317 30 10 IEEE N#CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 1683592198 DXJMCPGCSKCJDX-UHFFFAOYSA-N 438.553 2.457 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3C)CC2)C1 1685177495 WDYYQUVTCCHALX-SFTDATJTSA-N 426.561 2.022 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1689825634 ABJYTXOLRKLABP-ZIAGYGMSSA-N 441.504 2.304 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986770 WWDXGEYYLUFABY-MOPGFXCFSA-N 444.605 2.022 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689991053 VCICQUSZHZCTST-SQNIBIBYSA-N 438.594 2.208 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CS(C)(=O)=O)c1 1690082580 GOUZVSALDQZBKO-UHFFFAOYSA-N 440.573 2.192 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1690122362 OSFDZWSXWHCNOD-RTBURBONSA-N 442.951 2.026 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cccnc2OC)CC1 1690150496 KJENCTBLFZPBJD-UHFFFAOYSA-N 436.560 2.429 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1CC(=O)N1CCOCC1 1690271385 NNMLQZAMFWRYQR-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1690518508 MKLZWCJAYQZQCE-UHFFFAOYSA-N 428.356 2.221 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690662647 CAUTXIPLNAGBQQ-INIZCTEOSA-N 447.605 2.414 30 10 IEEE Cc1c(Cl)cccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1692950525 WVVOZSMZUZYQEJ-FZKQIMNGSA-N 440.932 2.340 30 10 IEEE C[C@H]1CCCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1693681797 BFYAYNPOCQUCNR-AZUAARDMSA-N 448.637 2.432 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1698023953 GQQWDSFFWVZEJV-KNQAVFIVSA-N 437.592 2.458 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NCC)CC1 1705525842 WLEWKDYTLZLUCB-UHFFFAOYSA-N 448.369 2.311 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CC)C1 1705526740 PDVHZTGZEDPEAM-SFHVURJKSA-N 431.562 2.224 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1705605191 DIKFEZCNRFAFJB-QHCPKHFHSA-N 438.532 2.333 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1705612882 RGMOKSQWOJECFN-KRWDZBQOSA-N 428.558 2.380 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1705841203 RLCKWPFDHHARQY-UHFFFAOYSA-N 438.532 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705898164 CPHDNUCUBXPCOF-GOSISDBHSA-N 435.532 2.373 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1708612252 CSLVQJSVQFYILD-UYAOXDASSA-N 438.580 2.453 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1710872801 AGICVNVFGFWUFX-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)NCCC)c1 1722310113 SQZBCAVWCBCUSP-LJQANCHMSA-N 438.532 2.102 30 10 IEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722318521 PPWHMHQGYUPYMB-IBGZPJMESA-N 445.589 2.173 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)[C@H](C)CCC 1722384999 XERBVQIEZJFAHV-WIYYLYMNSA-N 435.528 2.416 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1722438145 ZGKYNDWJHWAMPB-FCHUYYIVSA-N 428.625 2.438 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)C(=O)NC 1722457497 DVTQJGBNHFBAEM-KRWDZBQOSA-N 437.573 2.316 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1722509136 WNMIQVJHXXVFFJ-AZUAARDMSA-N 442.564 2.233 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722533292 NRQJPRZZECUGGT-UHFFFAOYSA-N 431.512 2.300 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722555233 YSYCIMHEPYGGSO-WMZOPIPTSA-N 449.987 2.260 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1723209509 LJUMJKCDGQIXTL-ZREAOVPFSA-N 435.532 2.415 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCCOC[C@@H]2CCOC2)cc1 1731180101 AJXBQVHHUSPAEV-FQEVSTJZSA-N 425.533 2.469 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(F)(F)F)n1 1740629112 ASRDCBSPVGIVSC-UHFFFAOYSA-N 439.401 2.460 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNC(=O)c1occc1C 1740634481 LVBQXVXNXHLWSJ-UHFFFAOYSA-N 445.479 2.468 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[S@@](=O)CC)CC1 1740699849 WHCROVABBQOJKQ-LJAQVGFWSA-N 435.981 2.034 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740723200 PIUWJZRPHZWHGI-UHFFFAOYSA-N 427.574 2.205 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740788512 UJJMOHPHJHEKNA-SJORKVTESA-N 443.614 2.265 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740867524 MORQDRQLSNSSCO-INIZCTEOSA-N 428.541 2.055 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740889998 PXVFDQHDSLCTNG-YESZJQIVSA-N 448.568 2.063 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1740951438 FZYMLOOBZDVKCI-DLBZAZTESA-N 430.528 2.390 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1740983840 QURIDBUUTDPBBH-VAMGGRTRSA-N 430.597 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1740986406 ZXSUMHOUKQCSRE-WGGBDISSSA-N 439.516 2.050 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1741005834 STLIBWMSUBOOQI-KRWDZBQOSA-N 432.594 2.403 30 10 IEEE CCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1745563473 YZXQBMBZDDHJFK-VZCXRCSSSA-N 440.504 2.335 30 10 IEEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1747526516 CETHLMUKOWNARW-UHFFFAOYSA-N 447.547 2.193 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1748752660 ZRYLBIBVJOHUBC-ROUUACIJSA-N 445.564 2.448 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CSCCS1 1748830959 BMRPADUQVJHLPW-QGZVFWFLSA-N 446.623 2.270 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1NC(=O)CC1(C)C 1748841003 PEGPDNZJDCHTTR-HXUWFJFHSA-N 427.512 2.118 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1748979942 TXVYROFIUBDXDL-SSEXGKCCSA-N 427.574 2.010 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1748987469 XUHYASYQAXCUSL-UHFFFAOYSA-N 436.516 2.103 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1748993934 QYKFFRQTEUMOEB-UHFFFAOYSA-N 428.625 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)NC)CC1 1749116019 YOCAOJCJSOPTIF-MJGOQNOKSA-N 446.596 2.140 30 10 IEEE C=C(C)COCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1749240990 BHEMSDNMHLWWFJ-CRAIPNDOSA-N 434.459 2.290 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(=O)C(C)C)CC1 1749264954 KHVSTVYVZTUQKP-UHFFFAOYSA-N 434.928 2.453 30 10 IEEE C=CCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749440281 WKHAXKIBAVZOMP-NZQKXSOJSA-N 433.597 2.443 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1749671485 CAUHRKRHUFUPPI-UHFFFAOYSA-N 439.495 2.386 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1749754296 JLAJNTVXUUCNDM-OAHLLOKOSA-N 433.607 2.322 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 1749881149 AXLHBSJELRYQGM-UHFFFAOYSA-N 439.539 2.378 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750680633 IOYOHDMOZQBGSF-NRTINQSCSA-N 430.553 2.254 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCCC1 1760106608 FGGBRDIEGAEGKS-OAHLLOKOSA-N 430.530 2.489 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1conc1COC 1760160833 PVKQYFFXRGPRFV-UHFFFAOYSA-N 428.880 2.114 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1760166833 ROKPEJKHBXYJGS-ZPHPHTNESA-N 428.855 2.333 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(CS(C)(=O)=O)c1 1760177242 NJLNMSRKEBAOLN-UHFFFAOYSA-N 448.552 2.179 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187785 GPOHXSBLOCQZMI-XYJFISCASA-N 431.562 2.104 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(CC)CC)nc1 1760193576 JCDINEHYLHHTQL-UHFFFAOYSA-N 442.527 2.288 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1C1CCCCC1 1760250675 KGIVBPROPDYEIK-NRFANRHFSA-N 442.608 2.284 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760364925 GWOSXIRKGKTZON-ROUUACIJSA-N 438.020 2.164 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760431389 NVOWHYIJPNDIFL-RBUKOAKNSA-N 439.564 2.439 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1760655484 HYJROPGVNLJZKI-LJQANCHMSA-N 449.559 2.215 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1761271540 NTIZIMHSWBQULI-LJQANCHMSA-N 446.577 2.008 30 10 IEEE CC(C)NC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1761272487 ZWHJXOOVPUXZFY-VQTJNVASSA-N 438.532 2.146 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1768855237 FFXYYTQTQLPOOA-UHFFFAOYSA-N 432.532 2.448 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCN2CCCCC2=O)cc1 1770732543 CHCVBUZGEDBBQC-LJQANCHMSA-N 449.559 2.311 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCCCO)CCN1C1CC1 1771538373 BKLZUELWEYZXHX-SFHVURJKSA-N 428.512 2.335 30 10 IEEE COc1cc2c(cc1OC)[C@H](NC(=O)COc1c(OC)cc(C#N)cc1OC)CC2=O 1851888256 YNUQXFOKECEHEO-OAHLLOKOSA-N 426.425 2.415 30 10 IEEE N#Cc1n[nH]c2c1CN(C(=O)C1CCN(c3nccn4nc5c(c34)CCCC5)CC1)CC2 1853292570 CBABNGLNTGXVQH-UHFFFAOYSA-N 430.516 2.004 30 10 IEEE C[C@@H]1C(=O)N(C(=O)C2CCC(F)(F)CC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854657149 XYIZYFMSSYJTGD-CYBMUJFWSA-N 425.457 2.132 30 10 IEEE Cc1cccc(CCCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856611344 COUHGAQTSZBAHX-LJQANCHMSA-N 433.530 2.231 30 10 IEEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccccc1N1CCOCC1 1858111906 XJNWEZCCESXRNH-MRXNPFEDSA-N 428.514 2.411 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 1858323809 QLIQEMQEYIKIRR-LBPRGKRZSA-N 431.948 2.015 30 10 IEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862483815 IXHYDZKOJVAGKA-LJQANCHMSA-N 440.408 2.245 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1cc(OC)c(OC)cc1OC 1864873490 YUKZHICFGDAJBQ-GOSISDBHSA-N 442.516 2.488 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN1CCC(O)CC1 1870647047 NZDPYBXJZKZUMO-UHFFFAOYSA-N 439.512 2.211 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1ccc(C(=O)O)cc1 1874313289 NCHHFPSZQMSJHN-FSJBWODESA-N 439.497 2.230 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1 1874432169 QYQNIIIHDFIPCT-AUEPDCJTSA-N 442.476 2.372 30 10 IEEE COc1cccc(N2C[C@@H](C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)CC2=O)c1 1890265972 YEXRVPYAKFCLLB-SFHVURJKSA-N 433.512 2.442 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCN3CCC(C#N)CC3)cc2)C1 1890476939 DUXSKDVVGKTZBI-ROUUACIJSA-N 432.590 2.319 30 10 IEEE C=CCC1(NC(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1910969922 OWBQZOVWORIKFH-CVEARBPZSA-N 437.537 2.253 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N[C@H](CS)C(=O)O)C1 1984899147 JAEDZXLWLSLNEM-IIBYNOLFSA-N 438.546 2.330 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1cc(I)cc(C(=O)O)c1 2009898667 YMQPUNOJNUDPDZ-UHFFFAOYSA-N 444.225 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CC1 2124535495 MNSVMXWAPQUMHN-IAGOWNOFSA-N 449.401 2.480 30 10 IEEE C#CCn1ncc(NCC2(NC(=O)OC(C)(C)C)CCOCC2)c(Br)c1=O 2162401022 ASCQJEGWDJJBSC-UHFFFAOYSA-N 441.326 2.125 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(c3ncc(Br)cc3C#N)CCN2C1=O 2174819901 RDNGUFHLVQREHO-KBPBESRZSA-N 436.310 2.030 30 10 IEEE C=C(C)CN(CC)C(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195284908 GKFBDHUUKQBAHF-JJCDCTGGSA-N 438.546 2.318 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)C1 2247549686 MYOQZWLHLNGGIA-JXORXQGFSA-N 437.537 2.045 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@]34C[C@@H]3CN(Cc3ccccc3)C4)ns2)OC1(C)C 2247920176 XCBRFDMQEKBSMR-OPAMFIHVSA-N 425.363 2.447 30 10 IEEE CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412417 JTENOTWOGLJDJG-LBPRGKRZSA-N 440.375 2.281 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](COC)C[C@H]1CNC(=O)OC(C)(C)C 2251327013 UAFBFCSXSOTUFF-OLZOCXBDSA-N 427.361 2.086 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@H]32)C1 2255157363 YPKZASNWZOJWPW-YOPALGQTSA-N 449.548 2.140 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255370665 VUWNHJQRJYMWEM-INIZCTEOSA-N 433.358 2.453 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCONC(=O)OC(C)(C)C)c1 2255541913 JWKGSFIWHCVYSN-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255615090 JDWREDPFTILQCI-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC(NC(=O)OC(C)(C)C)C1 2255629765 AOPZOLJFVAEJGR-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255630177 GSXSKPKKTSXHRC-KBPBESRZSA-N 434.346 2.179 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255633218 XRZHZIFEIZXHPF-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255649865 MNUCOCMPXDVURB-NWDGAFQWSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255877760 MQHKCXNUGQVVAU-LSDHHAIUSA-N 431.342 2.271 30 10 IEEE CC[C@H](CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256059469 LCASNQHFPZCFKR-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2256935352 KULTYGUVDOGGLK-IBGZPJMESA-N 425.290 2.386 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1NC(=O)OC(C)(C)C 2267092158 UVDFNPQJOPPGIK-KBPBESRZSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2267142208 QZEHHDLVFZVLTM-RCDICMHDSA-N 446.357 2.038 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267192741 VNNMAMQCKVGFBV-CQSZACIVSA-N 448.373 2.095 30 10 IEEE Cn1ncc(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2267508324 CUNVUOPMMPLKTI-OALUTQOASA-N 436.365 2.066 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513582 PJIJZRNNBMZZSE-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE Cn1cc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267525937 LCMPGGFXXRXODR-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267548060 PJTSYCGUZQTCHI-UHFFFAOYSA-N 433.321 2.293 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267877865 YGRPSTJMJRJFDO-MJGOQNOKSA-N 436.365 2.416 30 10 IEEE C=C(CN(C)C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)B1OC(C)(C)C(C)(C)O1 2268641870 DABDGBXCBRLRDY-UHFFFAOYSA-N 447.345 2.330 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268645696 VQHIUBFSUIITRQ-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE N#Cc1ccc(Cl)c(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270536391 AXNBEAVRGOLPFT-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE COc1cc(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2273864577 KURRGZWWDBMMMB-UHFFFAOYSA-N 446.353 2.478 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@H](C3OCCO3)C2)OC1(C)C 2282492116 PRTZGYIMAMRSPG-ZDUSSCGKSA-N 443.758 2.023 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1 2296605712 VSMIDZVEFSJVQX-OAQYLSRUSA-N 438.480 2.450 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)c(C)c1 102516324 MRJQOCWLROBFSI-AGGMBTAESA-N 437.496 2.153 30 10 IEEE C=CCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CCN(c3ncccn3)CC2)C1=O 170088932 DKOJFGRIMZBQPM-UHFFFAOYSA-N 433.512 2.354 30 10 IEEE N#Cc1ccc(C(F)(F)F)nc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 301300367 QUWCDZYUTMRVOI-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE CN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CCN(c2cnccn2)CC1 435245846 OADLZPMRDPYMTI-UHFFFAOYSA-N 430.415 2.016 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 442005161 WZDPAPXDQKATTB-UHFFFAOYSA-N 444.532 2.247 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@H]2CCCO2)o1 461145598 BGYGSUAJDRLMRY-DOTOQJQBSA-N 434.504 2.402 30 10 IEEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 465390130 SMSQPWRXAQTXHI-PMACEKPBSA-N 432.542 2.443 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)nc1 474354232 JJPWPHYPNYOMED-KRWDZBQOSA-N 425.554 2.301 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)n(C)c1 484864031 OXCCNQKXHOCOAO-AWEZNQCLSA-N 425.308 2.033 30 10 IEEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 504712391 PAUWTBBLRYYXHZ-UHFFFAOYSA-N 446.511 2.319 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 508801422 LPIAICBASAOBRH-IBGZPJMESA-N 437.552 2.044 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)CC1 512709922 JAOZGWSTTQLYFC-UHFFFAOYSA-N 447.539 2.282 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1 516846440 ZIHLIKJDUMFXNH-UHFFFAOYSA-N 436.512 2.008 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(C)c2=O)cc1[N+](=O)[O-] 517352818 CHHVIFRESVJWSX-UHFFFAOYSA-N 441.490 2.120 30 10 IEEE COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2ncccc2OCCCC#N)c1OC 552466580 LRFMMZKLNIPGOH-UHFFFAOYSA-N 435.458 2.369 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 561078237 HKYOFRKIGNQZTO-ROUUACIJSA-N 439.482 2.246 30 10 IEEE Cc1nc(CN2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2)n[nH]1 609849515 RMSHTGIJSXFUEY-UHFFFAOYSA-N 432.532 2.149 30 10 IEEE Cc1c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cccc1S(=O)(=O)NC(C)(C)C 610103518 YIBYCAUKHWRGBI-UHFFFAOYSA-N 446.504 2.338 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 727415639 XEXXLQJBPKQLMQ-INIZCTEOSA-N 436.489 2.076 30 10 IEEE COc1c(O)cccc1/C=C/C(=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729823954 UZRSKBIOACQFIY-ZHACJKMWSA-N 425.484 2.023 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O 730140706 HFGDSXYOAXGYTQ-SFHVURJKSA-N 429.521 2.420 30 10 IEEE N#C[C@H]1CN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CCN1C1CC1 732650622 ZWUHZTNFWFDUND-SFHVURJKSA-N 434.537 2.006 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)CCN1C1CC1 732669910 IDBBLXMYAYTSCY-OAHLLOKOSA-N 435.443 2.464 30 10 IEEE CCOc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCC1 732696517 HTVUCQNCCPHZSP-SFHVURJKSA-N 447.561 2.074 30 10 IEEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)c1 732706350 NDHBEBMAPMUTQA-OAQYLSRUSA-N 429.480 2.275 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 733785358 XCOQIWQZUBDKNG-MBSDFSHPSA-N 446.507 2.459 30 10 IEEE COC(=O)CCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCO2 735225919 PBVPIRZMMFJELW-QGZVFWFLSA-N 447.513 2.359 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](C(=O)OC)c1ccc(C#N)cc1)C2=O 740209989 HHIIIUHGINITCQ-PYGWLIJMSA-N 427.457 2.206 30 10 IEEE NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC#Cc2ccccc2Cl)c1 746978083 WSZOFLQQGHYHPN-UHFFFAOYSA-N 434.901 2.033 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccn(C)c2)C1=O 748095584 NZYZNEMAKSSYLY-IBGZPJMESA-N 438.557 2.096 30 10 IEEE CO[C@@H](C)c1nc(CN2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cs1 753119804 VJUZXSWDGXYKCU-AWEZNQCLSA-N 435.575 2.082 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758775451 WYXXWRDONHJWKZ-YPMHNXCESA-N 430.431 2.339 30 10 IEEE C=CCC(CC=C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 759006212 DAQGMCSGLGAYBV-ATVHPVEESA-N 432.542 2.443 30 10 IEEE C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 767689927 KPGXOSJYDQZLCG-CQSZACIVSA-N 444.937 2.445 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cc2cc(Br)ccc2[nH]1 768336211 GUGIMQCDYSXRDR-MSUUIHNZSA-N 432.278 2.256 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(Br)cc1C)c1cc[nH]n1 772656660 LPPIQODTKXJLIH-UHFFFAOYSA-N 437.294 2.423 30 10 IEEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774530278 NOHAVWWIIOAXIR-UHFFFAOYSA-N 449.576 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(Cc3cnc4ccc(C#N)cn34)C2)C(=O)C1 777219535 ANVZJJAVXPHMNT-SFHVURJKSA-N 438.532 2.250 30 10 IEEE C#CCCN1CCN(S(=O)(=O)c2cc(Br)ccc2OCCOCC)CC1 779614065 SQJKFWGTBKPQMG-UHFFFAOYSA-N 445.379 2.194 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(N)cccc1I 780278674 UOPAWXTYANPMOQ-HWPZZCPQSA-N 429.258 2.473 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)/C=C/c2ccc(I)o2)n1 788818904 SAVRWQUFPUTNFZ-FNORWQNLSA-N 439.253 2.402 30 10 IEEE COc1ccc(C2=NN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)[C@H](c3ccco3)C2)cc1 798740265 OTPBCSUGWHCZBT-KSSFIOAISA-N 448.439 2.233 30 10 IEEE CN(C)C(=O)[C@@H]1CC[C@H](Cn2c(-c3cnn(C)n3)csc2=Nc2ccccc2C#N)O1 803180366 HJZDMGMGDIAJDJ-BEFAXECRSA-N 437.529 2.085 30 10 IEEE C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(N2CCCCC2=O)cc1 812038084 GKCKEQBYNYHOLK-WGLILOHCSA-N 425.489 2.090 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)C2)nc1 814138641 YQAPYSLMXKEFKY-CVDCTZTESA-N 436.468 2.018 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)OC)CC4)nc3)cc2C1=O 818897139 AKEFQOHUBLMXDI-UHFFFAOYSA-N 449.467 2.004 30 10 IEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)c1 1084281901 ZKZULHZABKLTOP-UHFFFAOYSA-N 426.502 2.416 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC2)CCN1C1CC1 1118981028 BRLWDURNODVPOS-CZUORRHYSA-N 446.353 2.249 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1=O 1126112156 DRVBTXGOTQLYOW-LJQANCHMSA-N 436.512 2.040 30 10 IEEE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1130841711 BDKXKCGFJQVAPJ-IFXJQAMLSA-N 431.452 2.133 30 10 IEEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 1130952070 CIAQXMFUNSFVGK-OAHLLOKOSA-N 438.513 2.191 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4nc(CC)ns4)CC3)n[nH]2)c1C 1148427779 MDKNVKBADKBHGO-UHFFFAOYSA-N 426.550 2.452 30 10 IEEE C#CC[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1167951682 BEYNHJAJOKGKSC-PXNSSMCTSA-N 432.586 2.389 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1171490418 NVHFEKWOUWBCAJ-FQEVSTJZSA-N 443.613 2.134 30 10 IEEE C=CC1(CC(=O)NCCN2Cc3ccccc3OCC2=O)CN(C(=O)OC(C)(C)C)C1 1177583892 FIHRSGKQPNQKEP-UHFFFAOYSA-N 429.517 2.337 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)C(=O)OC 1211664518 MKJDCXLYACAJPF-CYBMUJFWSA-N 426.716 2.266 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cc1 1252459595 TYUOAGHFPOVCOO-HZPDHXFCSA-N 440.305 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1286272026 YJUWHBJFSADCIQ-RKXCMPKHSA-N 436.541 2.310 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1-c1ccccc1 1286301348 BZVMJVRAEKMQJX-INIZCTEOSA-N 446.540 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1 1286396272 CZHCJIGQKXOOBF-LJQANCHMSA-N 438.963 2.276 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1286401567 RYXAVALBDLICHK-DEOSSOPVSA-N 445.527 2.021 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C2CCCC2)CC1 1286508065 ICCGDTFZLMMEPY-UHFFFAOYSA-N 430.622 2.222 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1286511710 NZHJMKIVMWGPAE-UHFFFAOYSA-N 445.637 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)C)CC1 1286549536 XWTINJARYWUAMP-ICSRJNTNSA-N 439.564 2.437 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1286564271 UOKWWVNNHPCAAK-KRWDZBQOSA-N 440.539 2.273 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1286566892 KAISYPREGRYURX-YWZLYKJASA-N 439.582 2.408 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1286603770 KOWSITWGBJQZAP-GOSISDBHSA-N 443.548 2.076 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(CC)S(C)(=O)=O)CC1 1286648019 GLVGLKKHYWGAIT-UHFFFAOYSA-N 438.623 2.462 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCN(C)C1 1286766537 SYKWUXOHNLZTTJ-OAQYLSRUSA-N 435.956 2.313 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1286773873 UWQHMBXBFNEGQQ-FQEVSTJZSA-N 433.597 2.456 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286785163 GOJLVNHTIZKNOI-QGZVFWFLSA-N 439.564 2.019 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1288268698 PQAYNHFTTUNJDN-ROUUACIJSA-N 428.562 2.379 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2nccs2)CCOC1 1288320706 CCALNORQGMEIBV-OXJNMPFZSA-N 432.550 2.137 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1297638741 HDIWYPASWABUJH-KRWDZBQOSA-N 435.525 2.205 30 10 IEEE CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)CCSC1 1298042185 HDUOWEHLBCWCCF-OAQYLSRUSA-N 440.577 2.103 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCn1ccnn1 1300303396 IMNRWTXZAPOFGT-KRWDZBQOSA-N 445.531 2.376 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1300310062 KLAOUVCMLPYUID-JIGPKXGUSA-N 433.553 2.205 30 10 IEEE C#CCN(C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C1CSC1 1300607528 HLPUYJRWDUCFRO-ZDUSSCGKSA-N 437.359 2.494 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnc(C)s1 1301501530 YXQGCPNNRAYHIJ-GOSISDBHSA-N 440.529 2.494 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCC(NC(=O)COC)CC1 1301529055 HPYKWKPKXKWNAX-UHFFFAOYSA-N 425.533 2.500 30 10 IEEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1302124393 RHDUHMCSVLDERN-UHFFFAOYSA-N 443.552 2.021 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C[C@H]1OC 1302419316 NUGKTZAHEFIJHW-RLLQIKCJSA-N 427.505 2.005 30 10 IEEE Cc1cc(C)n(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)n1 1304771376 LSBDQLMILRGDAW-IBGZPJMESA-N 436.476 2.486 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1 1315449700 HUQJELGYHUPOPV-JPYJTQIMSA-N 442.539 2.235 30 10 IEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cnn1CCC#N 1350199516 HVOCSHZCBADTPU-UHFFFAOYSA-N 437.525 2.405 30 10 IEEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1358909722 POOSMRUVFINYQQ-UHFFFAOYSA-N 447.587 2.451 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1358914091 ILRMZFWRQNZRCP-UHFFFAOYSA-N 426.540 2.070 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COc2ccccc2)C1 1358920364 XSUDWLQBYJMJEY-QZTJIDSGSA-N 431.562 2.207 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359188664 SCWVVBVOAZOSIG-MRXNPFEDSA-N 425.599 2.292 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359198209 LAFKJISNMGFNCX-FUHIMQAGSA-N 441.598 2.019 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(C)(C)C)nc1 1359281232 STBDOCFHVTUIPS-QGZVFWFLSA-N 428.537 2.489 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)CC1 1359294719 CBOFUNPHRITSAD-UHFFFAOYSA-N 440.592 2.313 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1359302797 USFPWRXHSUDMGP-UHFFFAOYSA-N 438.557 2.229 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 1359321637 JRBVZZKTPHNXLN-WJFTUGDTSA-N 438.594 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359329481 KIFQPZMOUAJSET-RTBURBONSA-N 446.573 2.417 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1359336173 HJGPRXNPEJIUTI-INIZCTEOSA-N 428.562 2.378 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1359554127 ACFKWJYVWLWTJQ-YCRPNKLZSA-N 447.515 2.071 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 1453285417 RPOJRGGVQCSMMN-PZJWPPBQSA-N 427.526 2.117 30 10 IEEE C#C[C@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1470662123 BYRUETYRWSDYRL-CVEARBPZSA-N 428.352 2.237 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1478806020 GQKGTWZCNRTGQS-NRFANRHFSA-N 426.561 2.319 30 10 IEEE COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1504866855 GATHVDUKHZJTSC-SFHVURJKSA-N 431.562 2.360 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507623962 ZTJDGKVTCANEFI-GOSISDBHSA-N 435.594 2.013 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1507627525 KBFZJOABASEPOK-PGRDOPGGSA-N 446.573 2.132 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507637248 IZFGNCHXZROYNQ-LPHOPBHVSA-N 434.537 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507677187 VKSBHMTXZXPCPU-RTBURBONSA-N 434.548 2.093 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](COC)C1 1507750070 HLIVUFWRGKYSIB-FQEVSTJZSA-N 438.557 2.349 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808935 VSEGYHWJLMSIQF-NUJGCVRESA-N 425.599 2.291 30 10 IEEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1507835266 SCKDQNWGPYJJEB-PWHSHALESA-N 449.596 2.262 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1507842830 CWYLJFFKNFDCAM-QFIPXVFZSA-N 437.479 2.227 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cncn2)C1 1507848006 GDCOMFKYILHFPS-FHWLQOOXSA-N 431.541 2.028 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(OC)c1 1516591633 DAOIMWVJCQRNQK-QGZVFWFLSA-N 448.531 2.248 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)cn1 1517386871 BMDICCKYAQGEJS-UHFFFAOYSA-N 436.520 2.317 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2cc(C)c(C(F)(F)F)n2)c1 1518825204 HPQYULRAVHTVBQ-UHFFFAOYSA-N 434.418 2.084 30 10 IEEE COCCN(C)CCn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1519121405 DAFLHXHPDLZMEN-UHFFFAOYSA-N 439.608 2.348 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1521154488 BUOPJGPTXGOIRS-SFHVURJKSA-N 435.594 2.396 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)cn(C3CC3)c2=O)n1 1524968219 MBNKYMURVSRLOU-UHFFFAOYSA-N 433.306 2.064 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1539219927 OPJIDWOTWIRJJI-NRFANRHFSA-N 442.585 2.397 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539226006 SCMICGQQLWLOPG-QZTJIDSGSA-N 449.527 2.326 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1539240083 WOPZNYFFODEVBJ-MRXNPFEDSA-N 432.459 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2ccc(OC)c(OC)c2)CC1 1539477713 WJKSFSFYKTXRIT-UHFFFAOYSA-N 437.544 2.381 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2CCCCCC2=O)CC1 1539482358 SWRXSBJCHMSUSX-UHFFFAOYSA-N 440.592 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(F)c2)CC1 1539490189 SHEYFYADNYQOSR-HXUWFJFHSA-N 441.507 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOCCCO 1539534664 WBOMDAOKXQHPNL-JOCHJYFZSA-N 445.951 2.253 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC(C)C)CC1 1539626658 FYIAQIGINUKORR-FPOVZHCZSA-N 443.596 2.207 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@@H](C)CC 1540052130 YEYAOENLHYTJLO-HNNXBMFYSA-N 447.609 2.474 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@@H]1OC 1540193620 AAXBRRWBVOMHSR-RXVVDRJESA-N 444.532 2.407 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1540862897 LRJHOBFQZBPEME-AEFFLSMTSA-N 440.548 2.004 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1540874563 LCXXQPAOJZCCOJ-HSZRJFAPSA-N 425.533 2.393 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOCC2)C1 1540894284 UMOJDTFNLDMBQP-IBGZPJMESA-N 432.594 2.137 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CCO1 1541074666 OKPWIGGAWCPIKJ-LJQANCHMSA-N 440.891 2.453 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)C1 1554405134 BYVXHSCYVCBSPV-XMMPIXPASA-N 445.527 2.443 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(Cc4ccccn4)n3CCOCCCO)CCO2)c1 1555987557 JEJPOESWSRLAPY-JOCHJYFZSA-N 448.527 2.112 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1=O 1557595513 CXVPOUHKVKIRFR-SFHVURJKSA-N 426.517 2.240 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2C(=O)OC)OCCCO3)cc1 1557947500 OFQZWXRDOIDZCL-UHFFFAOYSA-N 446.481 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CCCN(C(N)=O)C1 1570021750 XYDITWSYQPYDJH-LPHOPBHVSA-N 441.532 2.299 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1587817914 KURKBQIVGHQXSB-UHFFFAOYSA-N 427.505 2.086 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587865876 ZIPHFJXFANXEDN-HNNXBMFYSA-N 437.516 2.031 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1588015989 HYVYWVBHICHKES-QFIPXVFZSA-N 445.564 2.274 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588029103 DHCOMQMAJVGBMN-HXUWFJFHSA-N 429.590 2.160 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1588041582 YCKWTHTWNWTFOE-MRXNPFEDSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588044708 BEHBKPDREJEZHO-LJQANCHMSA-N 443.617 2.468 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1588314433 DZLVLMVKTGWEEM-HXUWFJFHSA-N 434.544 2.363 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1588378918 TWTRHYCFZUUXQE-QGZVFWFLSA-N 430.553 2.154 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1588975190 FBMZQFFAMMMJQX-QAPCUYQASA-N 447.992 2.435 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C 1589581222 QMJDXEHBDPEBMA-VQIMIIECSA-N 427.553 2.144 30 10 IEEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC(C)C)CC1 1594115889 XSOWVZGVVZZDPH-UHFFFAOYSA-N 443.577 2.001 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1594894916 BRZWHWXYMGJOOB-UHFFFAOYSA-N 443.577 2.184 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCN1CCCS1(=O)=O 1595283126 MOGBYNHKRORDRK-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2[C@H]1C 1595467336 RVHZMGFSGQWEIJ-MRXNPFEDSA-N 431.500 2.351 30 10 IEEE CC/C=C/Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1614274329 PXLJWYRDDXJWKR-VZSQWMKGSA-N 440.573 2.491 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1614351639 AYRXLNPJESKNKI-QFBILLFUSA-N 437.548 2.290 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1618045175 DPBPNEUTDCKRJW-LRYGQEGESA-N 446.552 2.283 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCn1cc([C@H]2CCOC2)cn1 1619980082 BWVQLRZYAYQQEM-HKUYNNGSSA-N 443.552 2.143 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(CC#N)CCOC)c1 1625826183 IPTLVJLVSCYISM-UHFFFAOYSA-N 432.340 2.092 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2C(=O)N(C)OC)s1 1627052894 XFUXQODDBJOIFS-UHFFFAOYSA-N 441.506 2.166 30 10 IEEE C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 1628622446 JYYZIKMWLUCFAX-BEFAXECRSA-N 442.541 2.461 30 10 IEEE Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1635415233 ADCAVONAXVBJOT-WOJBJXKFSA-N 434.479 2.274 30 10 IEEE C[C@H](CC(=O)N1CCC(=O)C[C@@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1637599353 IOCKMNRLRFPFRE-DNVCBOLYSA-N 425.510 2.437 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1637726927 LRLHVEURKQSQDQ-MRXNPFEDSA-N 439.306 2.428 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NN3Cc4ccc(Br)cc4C3=O)cc2)c1N 1640748247 MXKBHYPUEPRGNE-UHFFFAOYSA-N 437.257 2.389 30 10 IEEE COC(=O)c1cnc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)s1 1644843570 HUVQOGZYBQVEET-DAIAYTDJSA-N 434.518 2.333 30 10 IEEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 1647787244 BWHDNPPOIOBYJZ-QFBILLFUSA-N 444.532 2.457 30 10 IEEE C#CCOCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1648260203 BFKZMSWRBZQUCC-UHFFFAOYSA-N 431.470 2.426 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(F)F)CC1 1648600415 OLHGMMYWEGBLGY-GJZGRUSLSA-N 429.489 2.167 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1654566700 ALHWELWUEFQYEI-GOSISDBHSA-N 443.573 2.037 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nn1 1664907390 VMWGSQNBZYXOIX-UHFFFAOYSA-N 430.284 2.312 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)NCc2ccccc2CN2CCOCC2)CC1 1675057554 ATEHNJBHTIKVTR-UHFFFAOYSA-N 425.558 2.484 30 10 IEEE COC[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCOCC1 1683970680 MKZWMVZHCZIDKR-QGZVFWFLSA-N 429.477 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1occc1C 1689826711 SXIRCUBEFXGCSV-INIZCTEOSA-N 435.488 2.105 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCS(C)(=O)=O 1690007714 HSOYKEGNPSUAJC-UHFFFAOYSA-N 438.509 2.235 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690236596 OVSAJONLSGRGPI-LMMKCTJWSA-N 427.553 2.125 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 1690236775 QZUAANXQYRKXEF-QUCCMNQESA-N 430.597 2.462 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1690477019 XFXQRXKFIZWHHT-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCCS(C)(=O)=O 1690567629 KHNKHKUUAILPIU-UHFFFAOYSA-N 449.552 2.281 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1Cc1ccc(C#N)o1 1692771952 AFGXDWXVMPESSR-DFEHZGFQSA-N 432.550 2.416 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(N)=O)CCCC1 1694342993 FYDPEZLGEXXHHA-OAQYLSRUSA-N 429.569 2.372 30 10 IEEE COC[C@@H]1[C@H]2CCN(c3nnc(CC(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@H]21 1698258825 AIZFTJPLGDGAJI-QHCVXRDESA-N 442.564 2.112 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1698294839 DFWUYAWVXXGZPK-IBGZPJMESA-N 440.529 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1705476559 BKOYDEYPEJCAQV-HZPDHXFCSA-N 431.562 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1705478217 YBIIQSJVFDAVCS-HZPDHXFCSA-N 435.525 2.051 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1705608546 WDVNKKGCOKZOCM-HNNXBMFYSA-N 430.896 2.055 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1705612446 GYTRFRPXTVABLV-SFHVURJKSA-N 446.573 2.485 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1705636087 XNEFRYXHCYPTDZ-UHFFFAOYSA-N 431.475 2.185 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705831372 OUWFOERRSYFKDS-LJQANCHMSA-N 433.578 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1705895290 ASMQSFJAOMVTOK-UHFFFAOYSA-N 449.559 2.312 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 1705911822 QZPNGYICDYNPFM-SFHVURJKSA-N 438.576 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1705936236 MIHLNWFVTAPENF-UHFFFAOYSA-N 439.626 2.210 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)n1 1707732068 DBDZJRUTRVENGJ-MRXNPFEDSA-N 437.529 2.244 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1710122952 IETDVYRIVBKIMY-DHJUGAMNSA-N 441.532 2.274 30 10 IEEE CCOCCC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CCC1 1710791492 ZRPDIKHCHSNKON-IBGZPJMESA-N 427.553 2.465 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1711350893 CWVHXTRRNXXTJB-UHFFFAOYSA-N 449.490 2.392 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1712796764 INWUUBGRTCGHNC-ZJYNUGOYSA-N 441.561 2.444 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722289661 RQAQSGKUXVKUGD-UHOSZYNNSA-N 428.562 2.002 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722338204 FZWDPYYNCXYOPZ-UHFFFAOYSA-N 441.605 2.155 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1722402240 JSJKZZYVDBHQKG-LBPRGKRZSA-N 445.467 2.137 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1coc(-c2cccs2)n1 1722419129 OZBVBHLHOFDLJE-UHFFFAOYSA-N 428.518 2.267 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCc2nccnc2C)CC1 1722441649 MOPDUNZTHQKEEC-UHFFFAOYSA-N 435.507 2.093 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1722503906 DUYKMXOPXACIHM-DYXWJJEUSA-N 426.565 2.478 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722626578 GASBIJTWQDFQOC-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722693625 VGVSITZXCQYTKS-IRXDYDNUSA-N 442.564 2.183 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(C)ccc1F 1722696695 CPFLGHKFPCFDJN-UHFFFAOYSA-N 440.479 2.392 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722729547 OIVKEQKSUYVIKG-OALUTQOASA-N 431.562 2.013 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC 1722738754 ORFIXGPNRYYORH-ZACQAIPSSA-N 443.639 2.155 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCSCCCO)CCO1 1731190945 WCORHVGVYOPVRM-QGZVFWFLSA-N 440.529 2.444 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)CC 1740554490 ZVSXRZXZIOYXAE-MRXNPFEDSA-N 432.569 2.329 30 10 IEEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCOC1 1740643690 QQLVHAOGIJRIBT-QHCPKHFHSA-N 442.947 2.476 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CN(CC(C)C)CCO1 1740681275 FPECVLMMOOKVBI-LJQANCHMSA-N 446.983 2.436 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1740723067 ONTMIGRZUHNWSG-MRXNPFEDSA-N 431.537 2.420 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1740876094 OBLSYODTKKREOL-SFHVURJKSA-N 437.541 2.353 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1)C1CC1 1740910745 RRXAQRHZAALXRD-QGZVFWFLSA-N 437.591 2.070 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1740960904 FPYJKKKQRIIHLW-UHFFFAOYSA-N 444.967 2.129 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(COC)CCCC2)CCOC1 1746732605 AANZORKFFRITPT-PGRDOPGGSA-N 433.553 2.256 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1748743528 FJTQODFCSFSLFW-UHFFFAOYSA-N 426.540 2.488 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748809588 NZVHBQPDTHLKBU-WMZOPIPTSA-N 446.598 2.334 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749040022 JKKSWIFZTZJLCQ-KRWDZBQOSA-N 436.578 2.388 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749231279 LECDAJSEZRLNCD-KRWDZBQOSA-N 427.615 2.225 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1749450231 ZAPCYFJSYQORKI-UHFFFAOYSA-N 438.532 2.426 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1749717935 RGVQKYXWRIVBTH-NOXFTYBFSA-N 428.533 2.221 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1751193389 BBBPEWJWKWADGX-JKSUJKDBSA-N 444.565 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1760098941 XTNWUUGMHXXKKA-JKSUJKDBSA-N 435.525 2.051 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1760127228 UFFWOOYGNWCHTI-ZACQAIPSSA-N 433.553 2.048 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1760149139 XYCHUXPBWYWUDE-UHFFFAOYSA-N 425.489 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@H]1OC 1760214097 BQIGGLXOERCNOK-SIKLNZKXSA-N 436.512 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccco1 1760223465 GCFYFKBLMLKJJK-JOCHJYFZSA-N 437.525 2.233 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(C)cc2)CC1 1760268811 PPDAWKASAXGCPF-UHFFFAOYSA-N 447.543 2.032 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760322095 NZDZMXBUWSXVJR-AVRDEDQJSA-N 444.624 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC2CC2)CC1 1760518019 GADVUKCUNLYGNE-UHFFFAOYSA-N 444.967 2.441 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1cc(C(C)(C)C)no1 1761474329 ZTIVRYZILFVZFZ-CQSZACIVSA-N 449.581 2.352 30 10 IEEE COCc1nocc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1769392817 QEKNJDZJKZPQIK-SFHVURJKSA-N 438.488 2.385 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)cc1 1770080334 FBCAVTXMDOQQJS-QGZVFWFLSA-N 432.475 2.412 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC[C@@H]1C 1770657137 DVHLFURGMCRFTK-OXJNMPFZSA-N 438.532 2.116 30 10 IEEE COCCCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771050217 YBTOSWHGTMOIGJ-QGZVFWFLSA-N 448.531 2.367 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nc2c(s1)CCCC2 1771223773 YANCIXDXIUEYFZ-CVEARBPZSA-N 446.577 2.309 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCC2)c1 1771343760 KGTGLEDEPIVKPY-SJLPKXTDSA-N 427.530 2.434 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1771352025 GSMNETAJVUBWQO-AEFFLSMTSA-N 447.586 2.105 30 10 IEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)CC1 1771533933 GJBULLIDQROZHB-UHFFFAOYSA-N 436.520 2.068 30 10 IEEE Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772791158 MWZHUXPHRSKXPP-UHFFFAOYSA-N 440.433 2.435 30 10 IEEE Cn1cc2c(n1)CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772794335 HXLFUVVCXWQGKZ-INIZCTEOSA-N 426.429 2.009 30 10 IEEE CN(C)C(=O)CO[C@@H](COc1ccc(C#N)cc1)CN1CCN(c2ccccc2F)CC1 1852614443 OCMZTZWQIZPYJU-OAQYLSRUSA-N 440.519 2.372 30 10 IEEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855463990 XUEGAOZVMHZNAQ-HKUYNNGSSA-N 433.574 2.356 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(Cl)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855740085 NUQSJBPGIUAYMS-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856891489 CKINTUNJRKTXCV-CQSZACIVSA-N 431.445 2.216 30 10 IEEE N#Cc1c(NC(=O)COc2cn(C[C@@H]3CCCO3)c(C(=O)O)cc2=O)sc2c1CCC2 1857893234 LIPWQHGBYZTQJF-LBPRGKRZSA-N 443.481 2.165 30 10 IEEE C=CCNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1)c1ccccc1 1861609357 NKPKMHAXFXGEBY-SIKLNZKXSA-N 449.507 2.376 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 1862748418 ALNOJWQVBWNDEO-GOSISDBHSA-N 427.388 2.448 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866730 JXDYFMBEKNVLHV-RBUKOAKNSA-N 437.525 2.012 30 10 IEEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870144185 RIOHNCBNGKLFAG-UHFFFAOYSA-N 425.408 2.245 30 10 IEEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871487262 ZXZGQNZXBNVKJU-UHFFFAOYSA-N 436.347 2.492 30 10 IEEE CCCCCCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707191 QOYYQEUHIGVGLN-UHFFFAOYSA-N 445.524 2.329 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)CC2=O)cc1OC 1889648542 HTLXUWAXYQRZPX-AEFFLSMTSA-N 436.468 2.003 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(n4cc(CCO)nn4)CC3)n[nH]2)c1C 1891387356 LHZQKSUHWLLKEP-UHFFFAOYSA-N 438.536 2.070 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1993686747 GJSKYWHKYXPTFK-OWCLPIDISA-N 427.542 2.332 30 10 IEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)N4CC(OCc5ccccc5)C4)C[C@@H]32)OC1(C)C 1999983363 LRZAXFMTLHKOGZ-BWTSREIZSA-N 434.367 2.156 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2010152361 WGNMZVPVHUOHRU-IXDOHACOSA-N 439.553 2.027 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 2023958439 ORILZOWLSKKFOR-MRXNPFEDSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C#CBr)C1 2174694324 XWDQLKOZHKMABV-HUUCEWRRSA-N 442.354 2.097 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2174786445 JUYICMVOPKJWFF-RBUKOAKNSA-N 429.498 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2224122659 ZZEZHOVGWQUAMV-MRXNPFEDSA-N 433.358 2.098 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c2Cl)OC1(C)C 2247783005 ZRNKZCCUENJSLY-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE CON(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247832343 NSBCXTRIMPXNIV-UHFFFAOYSA-N 439.343 2.065 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2247836049 VWFFZEPFMFSTKP-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255676376 PUVVNOATEDUNCI-ZBFHGGJFSA-N 433.358 2.450 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256604071 AAYKJPIYFIUPKP-IAGOWNOFSA-N 436.358 2.394 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267139034 AGYINJKVCXECAY-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2267182794 JHPQZKQRWAXRGA-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267187209 UTCFMEKFZGJXQM-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267280243 NWKFEGSJMLVIFR-WAIKUNEKSA-N 443.353 2.368 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267502665 RCGVGKVDHVVPAK-GASCZTMLSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267549096 JVDAHOSFUNNAJY-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccc(F)c2)C1=C(O)c1ccncc1 2296936535 ZWTSGWGUBRXJQX-HXUWFJFHSA-N 425.460 2.365 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2300342257 RNKNXWHIBTWEDA-CQSZACIVSA-N 437.371 2.475 30 10 IEEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)C=Cc2ccc(Br)cc2F)cc1 2325720384 IAXUECAKJRBDJX-UHFFFAOYSA-N 441.278 2.134 30 10 IEEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(CC=Cc2ccccc2)CC1 2326823589 JBCLBSPKUNKJHZ-UHFFFAOYSA-N 437.540 2.417 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345736244 NUYQMZRAGBHWSC-UHFFFAOYSA-N 449.332 2.346 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1)Nc1ccccc1[N+](=O)[O-] 58994117 MQVWRHOFVQKLRX-QGMBQPNBSA-N 429.418 2.301 30 10 IEEE COc1ccc(OC)c([C@@H]2c3c(nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72444812 MMFOTZLHKTXSIL-RGFKIIKPSA-N 437.500 2.493 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC1 106068635 OXLMQZJTASPTCZ-UHFFFAOYSA-N 431.540 2.473 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 108507506 WDZXNWNDGFWAIX-OAQYLSRUSA-N 431.500 2.286 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)CC1 441212111 SKOKDJCGWAQPPB-MSOLQXFVSA-N 439.516 2.203 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(N2CCCCC2)CCN(C)CC1 460493144 VQNJBKKNVWKXBU-UHFFFAOYSA-N 437.592 2.217 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC3CCN(c4ccccc4)CC3)n2)cc1 472812055 QJHOEXIKKHLNOE-UHFFFAOYSA-N 443.511 2.169 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cc1 483460231 PKWGFQWCFKVAGC-FPMQUWSNSA-N 427.526 2.003 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 508940328 CPRGLIKAPCPWBZ-IBGZPJMESA-N 446.490 2.197 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 509001124 VTKPLAPSWTZBNB-AUSIDOKSSA-N 439.564 2.412 30 10 IEEE CCCN([C@H](Cn1cnc2ccccc21)C(=O)O)S(=O)(=O)c1cnc(C)c(C#N)c1 515161157 TUMNESGCVFXPRS-LJQANCHMSA-N 427.486 2.166 30 10 IEEE Cn1c(=O)nc(O)c2c(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc(C3CC3)nc21 525945801 MRDRXUDLXNQNAA-UHFFFAOYSA-N 445.479 2.467 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)o1 531852048 GBZGROBSGBUAAR-UHFFFAOYSA-N 433.533 2.239 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 538512731 CELRZEZZTJJKEZ-UHFFFAOYSA-N 429.348 2.139 30 10 IEEE N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2Cc2ccccc2)CCO1 555142100 GLBINMQZHAIJBX-HXUWFJFHSA-N 430.516 2.229 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2nnc(C(F)(F)F)s2)CC1 565129322 WLWHAGXHTCKCJS-GFCCVEGCSA-N 445.471 2.139 30 10 IEEE Cc1noc(-c2ccccc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 610221117 ARMCIVDAYYXQMU-UHFFFAOYSA-N 437.481 2.063 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3CN3CCOCC3)ccc2c1=O 747992349 PXSSUVGUOSBLLW-KRWDZBQOSA-N 428.558 2.198 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 749507216 KLGUPCZEBNQLSF-FQEVSTJZSA-N 435.499 2.367 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 754994589 OIHGRIREYCKAKQ-LJQANCHMSA-N 444.532 2.049 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@]1(C)CCCO1 756078871 OHOXFGBILRJJOZ-AVRDEDQJSA-N 448.589 2.264 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CC(F)(F)C2)C1=O 757916118 QQFKPAGDGZEVNM-MRXNPFEDSA-N 435.500 2.355 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)C1 758770851 MNSMIRZVYPFLOM-RCCFBDPRSA-N 427.505 2.018 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4nnc(O)n4CC)CC3)ccc2c1=O 762595154 VVJUOTNDGLDHOI-UHFFFAOYSA-N 440.529 2.208 30 10 IEEE CS(=O)(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1C(F)(F)F 774712578 OWTWZHUFVYVVLV-UHFFFAOYSA-N 433.433 2.240 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)cc1 780892512 HRUSLESFJHGFLQ-NRFANRHFSA-N 426.448 2.030 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)C1 790486054 GAPIUWGJDMQWTP-MPGHIAIKSA-N 438.475 2.174 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2ccc(Br)c(F)c2)c1 795328547 RILLBTFIAAHXLD-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)o1 796278867 GDNFEOUFUZPRGK-AWEZNQCLSA-N 428.411 2.415 30 10 IEEE COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2)c1=O 797412612 TULBBGAEMRFSLO-UHFFFAOYSA-N 443.463 2.259 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161478 HYHVLVMXNJFCKK-WMLDXEAASA-N 432.496 2.465 30 10 IEEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(F)cc1 812750722 CZVCSHNZILLIPP-HKUYNNGSSA-N 442.468 2.254 30 10 IEEE C#CCO[C@@H](C)C(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1124259953 LWNYDOVLLZBRTP-KRWDZBQOSA-N 432.480 2.151 30 10 IEEE COc1cc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)ccc1C#N 1128641423 GCDHPEOGNHWLBB-IBGZPJMESA-N 425.460 2.153 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)COc2ccc(C#N)c(Br)c2)O1 1133996327 JNUYMZWBLBJQDQ-CGTJXYLNSA-N 439.306 2.121 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)n[nH]2)c1C 1136085699 PDLWXUQIWCJKQO-UHFFFAOYSA-N 425.537 2.440 30 10 IEEE CC(C)(C)n1ncc(C(=O)NCC2CCN(CC#N)CC2)c1I 1136779479 UFEPUSMSPZOFIU-UHFFFAOYSA-N 429.306 2.208 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCOCC1 1136820421 UPQLQOIWANDVNQ-ZHRRBRCNSA-N 449.507 2.463 30 10 IEEE C#CCN(CC(=O)N[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1144044257 ROCJYJPOGBZYIY-XMMPIXPASA-N 443.544 2.181 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)nn1 1148313814 DPKBAVHQQONHEJ-UHFFFAOYSA-N 439.520 2.479 30 10 IEEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1162141830 VCZHLUBNBCNHEK-NVXWUHKLSA-N 435.546 2.318 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C[C@@H](O)c1ccc(C#N)cc1)C2 1176121818 LJASOHWVUOQDTM-ISJRUSPKSA-N 429.517 2.370 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1192214805 LUEPQFTZFZAFCN-UHFFFAOYSA-N 431.283 2.425 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CC[C@H](CN(C)CC3CC3)C2)c(C#N)cn1CCOC 1203101446 BXLARZGDKWYEIU-QGZVFWFLSA-N 431.537 2.378 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1286274455 NYNYSLFBCLHQLN-IAGOWNOFSA-N 445.589 2.477 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)nc1 1286376176 GZBIVAYRYYHFOA-GOSISDBHSA-N 426.521 2.408 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(Oc2ccccc2)nc1)[C@@H]1CCS(=O)(=O)C1 1286384006 OVEBMZQUWHHLOB-LJQANCHMSA-N 437.525 2.449 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1286389166 GRMIKOJTONJRGM-XLIONFOSSA-N 434.587 2.142 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1286449922 AOZBNHLWURCORA-SFHVURJKSA-N 441.532 2.135 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1286462938 BPSTWEZYQCDKJO-VFNWGFHPSA-N 434.924 2.233 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1286479561 VGIOIAYCKMJGMY-UHFFFAOYSA-N 433.535 2.273 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC[C@H](C)C2)CC1 1286481635 ICMHFWGOABEPCD-SFHVURJKSA-N 427.622 2.121 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cncn2)C1 1286631936 BJXUOKHWUHWDOH-CQSZACIVSA-N 432.941 2.455 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286690560 SEZRFIIXAAGVQT-GOSISDBHSA-N 429.569 2.063 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286709416 STTGTSJHAITJHL-UHFFFAOYSA-N 438.536 2.337 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286766637 UABQQCJPJWQESZ-MRXNPFEDSA-N 436.557 2.066 30 10 IEEE Cn1cnnc1C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1290747232 BSEDSJHYNZFKIQ-JQHMZKTJSA-N 428.537 2.308 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCO[C@H](C)C1 1297274821 DSSGYJVUGNTEGW-IEBWSBKVSA-N 425.537 2.223 30 10 IEEE CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1299532271 HCBLSVGLPWZOFR-GOSISDBHSA-N 439.564 2.035 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccccc2)CC1 1300319831 DIWOGZZFWIRCFL-OAQYLSRUSA-N 449.603 2.071 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1300603288 YIUSVADUIFGNJK-SFHVURJKSA-N 442.539 2.181 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[C@@](C)(O)c2ccccc2)CC1 1300703647 NQGVRZCORICENB-RUZDIDTESA-N 430.556 2.317 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nccnc2C)C1 1301544463 XPWHXZFUOUUSMZ-AVRDEDQJSA-N 428.537 2.053 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301615160 GWGBEBUVNLYTGQ-JOCHJYFZSA-N 439.589 2.398 30 10 IEEE COCCOCc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1302192472 BZXZRGSLUSTFTO-DENIHFKCSA-N 429.496 2.435 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)cn1 1303333160 GNUMWOXUXFAXNZ-UHFFFAOYSA-N 426.274 2.315 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)cc1 1304440134 FRJRDHGLONQMFB-IBGZPJMESA-N 442.589 2.330 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1305535261 ZRKKJRKMTKYOFW-ICSRJNTNSA-N 446.596 2.180 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1314422714 NGPQYKFQOLLARV-BSBNDGSWSA-N 428.537 2.325 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C2CCC1(C)CC2 1314563556 QCTSBGNOYZWMMD-UHFFFAOYSA-N 444.561 2.189 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1316171908 XYHUMIHWGUARBS-GBESFXJTSA-N 434.585 2.241 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1316385418 AEGZXHSTVDDECD-HOCLYGCPSA-N 435.575 2.104 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCOC(F)F)CC2)nc1 1316534247 UHVIAAMPVHOKPP-MRXNPFEDSA-N 433.463 2.352 30 10 IEEE COc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 1351755309 FFQPJMHIFIKPPC-INIZCTEOSA-N 443.525 2.405 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1358896439 DAXLUQAKDUBCDG-WOJBJXKFSA-N 439.560 2.427 30 10 IEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(=O)NC)C1 1358923219 GLFONRNFAUOPEL-LBPRGKRZSA-N 438.351 2.134 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1358952893 BRPGRWUWMQIZBE-IBGZPJMESA-N 425.533 2.038 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359057441 ZJDYHYBTIZLPTN-FQEVSTJZSA-N 439.585 2.040 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1 1359074363 AIJRBRBDRWRISD-SXWKCWPCSA-N 445.608 2.230 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359099581 QGISXBFEPJAETE-HKUYNNGSSA-N 439.626 2.320 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1359109811 PJSPBBOWDVTMCY-UHFFFAOYSA-N 447.561 2.154 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCSC1 1359281198 RUZMOWYHYUTRNE-OAQYLSRUSA-N 442.545 2.101 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359300123 UNMKRNQEZPGOQP-QGZVFWFLSA-N 441.532 2.309 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1359332686 DNSXSEMBPWOIRT-OALUTQOASA-N 448.593 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(F)cc(F)c1 1359333351 VFOXHLJWHHIAFY-HNNXBMFYSA-N 426.489 2.297 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359454964 AZNMUIWTEKXVJT-GAJHUEQPSA-N 438.532 2.117 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)C1 1360034210 CQWSGBCITUVEBR-ROUUACIJSA-N 440.552 2.021 30 10 IEEE CC(C)NC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1360290733 ZBFXFFHMYMVOMS-UHFFFAOYSA-N 435.488 2.038 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 1442377409 KREBARDYTDHROR-UHFFFAOYSA-N 436.484 2.033 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1449354864 ZXMYXUPVJXQMPN-KRWDZBQOSA-N 434.562 2.342 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)c1 1453870144 KDKYQKNWXGKEPF-OAQYLSRUSA-N 442.537 2.224 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCc4c(sc(N)c4C#N)C3)n(C)c2)C1 1456737392 XPHUUEDLIQHFDB-ZDUSSCGKSA-N 447.586 2.160 30 10 IEEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)COc2cccc(Br)c2C#N)n1 1457231922 XGJBEMXRKYVJGX-JKSUJKDBSA-N 446.305 2.184 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)C1 1464478978 FMOGHJGNOGOOKI-JQHMZKTJSA-N 447.557 2.493 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CC2)[C@@H](C)C(=O)OC(C)(C)C)s1 1469099122 QUPXYDMFLJRKQI-ZDUSSCGKSA-N 428.576 2.476 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Nc3nc4cc(Br)ccn4n3)CC2)cn1 1476615835 DWXQBNAEBFQRES-UHFFFAOYSA-N 427.266 2.113 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCSCCCO 1495772419 FNYBCPFYAJMWCI-DLBZAZTESA-N 444.609 2.284 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCC2)C[C@H]1O 1503883139 NYYDOTIHHLDWSK-IEBWSBKVSA-N 439.516 2.279 30 10 IEEE C#CCCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1507597331 YTZXJTUCPBXUJI-VGSWGCGISA-N 433.553 2.447 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1507684306 AEDJEBJVHQVZCT-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)c(O)c1 1507713813 XXPUPZYCJUIZGS-UHFFFAOYSA-N 446.511 2.365 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507865129 LFGUKLDKXCIBFU-CVEARBPZSA-N 432.974 2.302 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(F)(F)F)C1 1507961892 IMUMQZVZBBSEKX-HNNXBMFYSA-N 443.426 2.366 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(CC)C1 1508075853 ZXDISEZWILLZIB-NRFANRHFSA-N 431.562 2.277 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCNC(=O)C1 1508077798 QXFJLNXOFSLTGC-UHFFFAOYSA-N 440.504 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC2(CCCCC2)C1 1508143071 DHFVGCSPLSXCOQ-UHFFFAOYSA-N 445.589 2.404 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1508463181 AHQNWVRJFMXFKC-INIZCTEOSA-N 448.474 2.438 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1508660870 CCHYRGIBXXHPMF-UHFFFAOYSA-N 444.561 2.300 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1510040429 DBSKJXDNJQLXKH-XOKHGSTOSA-N 430.896 2.079 30 10 IEEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1515791765 KPLKKQVTJLIXGN-GFCCVEGCSA-N 432.330 2.444 30 10 IEEE CN1CCC(OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 1516678249 LOMDNFOUCISUNB-ATJXCDBQSA-N 436.578 2.329 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1516963830 CKGZBSMVNYNOKI-IBGZPJMESA-N 440.548 2.362 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)COC)CC1 1519242545 MXYMWQLTSNCQKH-QGZVFWFLSA-N 440.548 2.078 30 10 IEEE CS(=O)(=O)CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1523332496 FZWNKKWMJRJING-OGVSOVDVSA-N 437.949 2.284 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 1531627493 ASAYLWWXNZTUNY-UHFFFAOYSA-N 425.416 2.279 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@@H](C(F)F)N1CCOCC1 1539178209 FOJGQVGUGXRIJF-LPHOPBHVSA-N 447.486 2.216 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCC[C@@H]2C)n1 1539424432 PUPGLNBGDSNIAJ-NOXFTYBFSA-N 442.564 2.163 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(F)c(F)c2)CC1 1539828633 MWWDTVXVUPPYKG-CQSZACIVSA-N 441.504 2.402 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)C1 1540895191 MSOGIBQLMVAEMC-SFHVURJKSA-N 442.589 2.313 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)N1CCOCC1 1541959782 FSAZFBOZIUJQTG-HZPDHXFCSA-N 430.484 2.154 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2nc(N(C)C)no2)cc1 1542161909 VUCVTHNUMFDQDN-JJIBRWJFSA-N 448.549 2.300 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)C[C@@H](C)S1 1545061432 SYHZHFAAAOHJDW-IAGOWNOFSA-N 431.562 2.458 30 10 IEEE CCO[C@H](CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1547843066 FVQCARBYXJWLQF-DOTOQJQBSA-N 430.509 2.186 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)CCCC1 1552654921 AGFQUVSOKQQMBK-IBGZPJMESA-N 449.559 2.167 30 10 IEEE C=CCOC[C@H](NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)OC 1556375134 AOXIYRCVAOROLW-KRWDZBQOSA-N 445.541 2.050 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1(S(C)(=O)=O)CCC1 1556472339 JCMFCAAMJZIPLH-SFHVURJKSA-N 447.557 2.476 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2Cc3ccccc3OC3(CCOCC3)C2)CC1 1560136388 RLQVBFDIZHBJIT-NRFANRHFSA-N 426.561 2.123 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)CC1 1560193737 JMVIEKOURQASOF-AQNXPRMDSA-N 435.613 2.161 30 10 IEEE C#C[C@@H](NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 1564999301 IXSIEOLKZYIJKT-ZWKOTPCHSA-N 427.501 2.412 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 1565373704 YNBBWSAAIGUSTM-QZTJIDSGSA-N 433.553 2.177 30 10 IEEE C#C[C@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC 1569721173 BDXBUEBZCSNNSP-IUODEOHRSA-N 427.295 2.134 30 10 IEEE CN(C)S(=O)(=O)C[C@H](OC(=O)c1cccc(C#N)c1Br)C(F)(F)F 1584115594 KPQOSKMKSAIXKP-JTQLQIEISA-N 429.214 2.300 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC(C)C 1587575318 SQSPZXAYWPRSQB-MRXNPFEDSA-N 441.561 2.121 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@H](C)CC 1587579569 IEFWBROILYEMOL-HZPDHXFCSA-N 431.562 2.111 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588040554 OJRRZKSMTXUNKS-OALUTQOASA-N 445.589 2.348 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCOC[C@@H]1C 1588083336 FDEIONRBZOUVNR-RBUKOAKNSA-N 425.508 2.351 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](OC)C2CC2)CC1 1588762022 DSIRYYOXLFFGOT-KRWDZBQOSA-N 433.354 2.216 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595507172 YKUWZYYYMOBKRY-PDSXEYIOSA-N 446.939 2.068 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1595536976 KFDHIQXTJRNVRF-KRWDZBQOSA-N 449.559 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1595544454 IKANKDNACXEUHB-GOSISDBHSA-N 425.533 2.354 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)C1 1595743868 HDKQZVHPGSKXIF-RXVVDRJESA-N 445.539 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC 1595798170 MVOONGUSLTZUEK-UHFFFAOYSA-N 441.598 2.450 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1611297705 JXWXBRUDCZNNAI-YOEHRIQHSA-N 434.504 2.163 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccco1 1613259979 CGJWIQYBYRMJLD-AWEZNQCLSA-N 435.488 2.350 30 10 IEEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)CCO1 1613718122 GTNGXOMEWWVQSB-UGKGYDQZSA-N 429.521 2.395 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1617376917 QNCDOKQNNZESMQ-NRFANRHFSA-N 448.568 2.467 30 10 IEEE COCCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1619915724 DHFYHGPXUVLUSV-HXUWFJFHSA-N 439.472 2.403 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1620175513 QPBKDKLBGSPTTE-UHFFFAOYSA-N 439.545 2.253 30 10 IEEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1632885108 PZISZOKIEFPCFA-PXAZEXFGSA-N 441.431 2.359 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)CC1 1633326985 FUUMZLUBQWEFBL-QGZVFWFLSA-N 444.532 2.349 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3nccc(Br)c3O)C2=O)cc1 1634616540 QBRYCGXMZPYQKV-ZDUSSCGKSA-N 444.245 2.265 30 10 IEEE O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)N[C@@H]1CCN(O)C1=O 1636353106 QTRAWAVVCDEROE-MRXNPFEDSA-N 432.274 2.350 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)Cc2ccc(C#N)cc2)C1 1638850720 OSTYFQJLRLUNKV-IBGZPJMESA-N 443.573 2.436 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)Cc2ccccc21 1641293675 CMHWJIXWLRCZJB-UAFUQJIBSA-N 425.485 2.371 30 10 IEEE N#Cc1cc(Br)cc(Br)c1OCC(=O)NCC(=O)N1CCCC1 1641454899 HTWKCAAORQXUBC-UHFFFAOYSA-N 445.111 2.201 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N3CCc4sc(S(N)(=O)=O)cc4C3)CC2)c(F)c1 1641800902 UDHNRZILAMPHOD-UHFFFAOYSA-N 448.545 2.208 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)n[nH]2)c1C 1642142504 VMBGZIDCRXBEPP-IBGZPJMESA-N 435.532 2.102 30 10 IEEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1644084005 PQJVZNYUBLNUNB-YSSFQJQWSA-N 426.561 2.367 30 10 IEEE C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1645716358 PKAGSBMAMNGYLQ-LJQANCHMSA-N 431.290 2.207 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1650974519 ICRIHUBAOJRJFH-AWEZNQCLSA-N 430.286 2.185 30 10 IEEE Cc1nc(=NC(=O)c2cc([N+](=O)[O-])ncc2Br)n(-c2ccc(C#N)cc2)[nH]1 1654343748 FJLSEOCXAABXPO-UHFFFAOYSA-N 428.206 2.187 30 10 IEEE COc1cc(OC)c(CNC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)c(OC)c1 1660382335 QCEYKXAZWWASOQ-JOCHJYFZSA-N 425.485 2.274 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1665720876 BDXRSRULJLPUJA-OAQYLSRUSA-N 433.574 2.147 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@@H]3CC3CCOCC3)C2=O)cc1 1681515147 GHWFTNSWXPZOLE-SFTDATJTSA-N 426.517 2.281 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1OC 1683589714 GOXAQOJDRQPICQ-HXUWFJFHSA-N 434.496 2.210 30 10 IEEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689888703 PKWVIOMGNFBZDU-UHFFFAOYSA-N 446.577 2.379 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1689888784 QOXVQCCFPWQMIN-SFHVURJKSA-N 443.552 2.175 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnccc1OC 1689948831 HSTWBYCAWXVZKJ-UHFFFAOYSA-N 439.545 2.068 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCS(=O)(=O)c2ccccc2)CC1 1690125103 BFYUEIJHHZRYHG-UHFFFAOYSA-N 443.617 2.486 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690220199 UBGQEXQDRIHKRQ-ZBFHGGJFSA-N 444.374 2.263 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690310049 RNBJVMOHKGCFSG-ROUUACIJSA-N 446.596 2.201 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690595218 QYXCBDLTEXWBSK-GUDVDZBRSA-N 435.594 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OC)C1 1690662665 CFOBDDZPOMPMDB-LLVKDONJSA-N 426.340 2.296 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690742470 ROWSINSBRXFNHR-GFCCVEGCSA-N 441.483 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC2)CC1 1691220462 LDALTELBDAFFIA-FUHWJXTLSA-N 446.552 2.158 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1694219758 FUUNYCAKOZMLSY-VGSWGCGISA-N 432.569 2.363 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCN(C)C2)cc1 1696136553 COVXEFIDAJXZEP-PNCHPQGNSA-N 442.564 2.479 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1697335226 ZAFHBFOLLBMACI-APFMSCDFSA-N 435.488 2.218 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1697969222 XUBWRGDSGGPONZ-UHFFFAOYSA-N 436.520 2.466 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705530072 SDGJOIZVRAOVOS-OAQYLSRUSA-N 431.544 2.046 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(OC)CCOC1 1705557219 ZQMPZISBWTUKHD-LJQANCHMSA-N 435.322 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1705646706 NZHNDGXMFZOCLA-UHFFFAOYSA-N 433.560 2.123 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705655068 CBVCEMUGFUGUIX-JOCHJYFZSA-N 435.557 2.403 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705659515 YWGRYMYMDMKSQF-QGZVFWFLSA-N 430.622 2.091 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705701186 DKVCXZNRGRUKLY-FXAWDEMLSA-N 427.553 2.255 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705733738 XQROCWQPVNVWJL-OAHLLOKOSA-N 438.454 2.438 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1705819537 OAOLQBFTYRWTGM-LJQANCHMSA-N 449.552 2.279 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1705867134 IFUWENBJSRTZBE-WCIQWLHISA-N 430.597 2.135 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705943234 RVOTXCPQNPTVLM-UHFFFAOYSA-N 442.593 2.382 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(C)cc1 1712647551 CFAKFDPEBVJRDO-IHPCNDPISA-N 427.505 2.118 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC(C)(C)C1 1722357527 HDNPHRJDGJWFLE-HDICACEKSA-N 446.596 2.229 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1722359748 AMZOYORZJBPRKR-LJQANCHMSA-N 439.516 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1722363822 VXMIKRIREBYIDY-INIZCTEOSA-N 426.498 2.222 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C)n2)CC1 1722433457 VYQGJABJXLUMOL-DEOSSOPVSA-N 438.576 2.020 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722459360 INBVROOOQGJMDM-QGZVFWFLSA-N 448.618 2.096 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722536018 BMBNYJMXTSJRRR-MSOLQXFVSA-N 426.583 2.168 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722536097 RBWSEUIQAPTJPP-LJQANCHMSA-N 440.548 2.048 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F 1722696557 BQQUBXBPENYJIC-HNNXBMFYSA-N 436.438 2.187 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3ncnc4sccc34)CC2)nnc1C(C)(C)C 1722704206 QHBZWXXROZARJL-UHFFFAOYSA-N 440.577 2.209 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1722869702 RCSCEEJTKNIUBP-AWEZNQCLSA-N 432.475 2.025 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1728945416 HQOAAVRUWIKBEA-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE CNC(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC#N 1729721142 HNWSJECVTTWARE-OAHLLOKOSA-N 433.557 2.267 30 10 IEEE COc1ccc(CCc2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1730119293 SXRZCCPNBHVKID-DQRAZIAOSA-N 436.516 2.199 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CCOCC1 1731059791 AQGGLNGQPCZELB-MRXNPFEDSA-N 440.573 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)C)C1 1740542479 WFEWWJMSWAZPKO-OALUTQOASA-N 433.564 2.499 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1740547927 CBOYFSNGVADAQQ-PBHICJAKSA-N 430.509 2.389 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740591495 SWRARLVCGFTSTP-HXUWFJFHSA-N 425.581 2.258 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCN(CC)CC1 1740602483 VJIZOXBIICGNIX-MRXNPFEDSA-N 448.413 2.142 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCC[C@@H](C)C2)CC1 1740696897 KBRFNXUWWMAFMO-OAQYLSRUSA-N 436.604 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](C(N)=O)C1 1740954166 DIBKDCHEDXDLSU-CABCVRRESA-N 442.589 2.135 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740954915 TZBOFBLYFLLSNV-UHFFFAOYSA-N 440.548 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc3ccccc23)C1 1740972051 CELZMKNEZIQGCT-DOTOQJQBSA-N 445.545 2.464 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)c2ccccc2)CCOC1 1741731686 KNTZPUDVODEHKC-NZQKXSOJSA-N 440.548 2.184 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(F)F)c1 1741927881 WSQMTEFXHJKSQC-SGTLLEGYSA-N 442.467 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1748648106 YDFBAXBHBZYCNI-SBUREZEXSA-N 426.517 2.482 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1748710489 RIDTZXDONFMTBG-INIZCTEOSA-N 433.516 2.360 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748824780 SXHZSMWCLDUMEF-RTBURBONSA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NC(C)C 1748856209 UQBJCHVITWECEA-UHFFFAOYSA-N 444.333 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccco2)N(C)C)CC1 1749009582 SZTFXBSTHSNXHL-HXUWFJFHSA-N 447.543 2.202 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749193289 FRSBVKUYXRAGJW-GOSISDBHSA-N 449.577 2.369 30 10 IEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749442120 NFTHJYFOLRAVEE-GOSISDBHSA-N 438.532 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCSC(CC)(CC)C1 1749734143 FJCNQRCSYSWYEI-INIZCTEOSA-N 428.624 2.495 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCOC1 1750070342 SIONNUITJVADSN-HZPDHXFCSA-N 431.566 2.261 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCO[C@@H]1C(C)C 1750153867 ALAJNXFXMKWYLC-IVDHNXQLSA-N 433.553 2.182 30 10 IEEE CC[C@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1752530803 GNWKEHJBHKYNJN-QYWGDWMGSA-N 436.557 2.343 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1760159748 ONTXZJQRZNJVHS-PGRDOPGGSA-N 428.537 2.494 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760188942 RNXRRDUVRTYFPA-QUCCMNQESA-N 446.548 2.181 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1760236735 IQGALNVFTAGBKH-UHFFFAOYSA-N 444.586 2.072 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760361039 FFTOESVVDOBXJD-QZTJIDSGSA-N 441.532 2.173 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(N(C)C)CCSC2)C1 1760549451 DZHPCYKDZDLFPX-SIKLNZKXSA-N 445.637 2.358 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(c2cccc(F)c2)CC1 1761462976 CTPOHOFFTGVCCT-GJZGRUSLSA-N 434.541 2.498 30 10 IEEE Cc1ccc(OCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1761844641 KZAKNRFCBQWDRQ-IBGZPJMESA-N 447.499 2.432 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCC[C@@H](C)C2)CCOC1 1762922074 WCQGGBSBWLXDMZ-BVYCBKJFSA-N 434.560 2.493 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)OC1CCCC1 1766714606 IKTYQOMDAMKZGH-UHFFFAOYSA-N 432.550 2.457 30 10 IEEE CO[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768034724 NFQZHACUXXIMGV-INIZCTEOSA-N 434.500 2.469 30 10 IEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CCOC1 1768213016 HHTWUSLXTDNIDX-QHCPKHFHSA-N 438.532 2.104 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1771352029 GSMNETAJVUBWQO-SJLPKXTDSA-N 447.586 2.105 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1O 1771492334 ZLEFEMJKCOZZST-APWZRJJASA-N 440.548 2.241 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1772564306 RTWACGAHNUZQBW-VSZNYVQBSA-N 433.553 2.429 30 10 IEEE Cn1ccnc1S(=O)(=O)C1CCN(CC(C)(C)C(=O)Nc2ccc(CC#N)cc2)CC1 1852151384 GIKOFDIOONXHQC-UHFFFAOYSA-N 443.573 2.389 30 10 IEEE CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C#N)cnn2-c2cccc(C(F)(F)F)c2)C1 1852761577 VOAJBHODVDXPPG-GFCCVEGCSA-N 441.435 2.373 30 10 IEEE Cc1cc(C)n(-c2ccc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)nn2)n1 1852793276 FCSNKDXRIMQAAW-UHFFFAOYSA-N 430.412 2.153 30 10 IEEE COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)[C@H]3C)c2)cc1 1857117136 CUMVFPWDCYEUIQ-OAHLLOKOSA-N 427.482 2.024 30 10 IEEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCCN(C4CCSCC4)CC3)CC2=O)c1 1857274676 QNJYLJRLCKEDLB-IBGZPJMESA-N 426.586 2.450 30 10 IEEE CCCCS(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1858630491 IYCUWOBGJNBVBQ-OAHLLOKOSA-N 438.619 2.431 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874341611 OCPAJMQXOZYEJD-UGVMZYNRSA-N 431.518 2.057 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NCCN3CCC(C#N)CC3)SCC(=O)N2C2CC2)cc1 1889814943 ZXEYPDOQICMDFL-YADHBBJMSA-N 442.585 2.194 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCC(COc3nccnc3C#N)CC2)c(Cl)c1 1891351538 HXMHEAOINKOORX-UHFFFAOYSA-N 434.905 2.336 30 10 IEEE CN(C(=O)c1nccnc1-c1nc2ccccc2s1)C1CN(c2nccnc2C#N)C1 1891598194 KFTAFZVRAUVPPB-UHFFFAOYSA-N 428.481 2.376 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2010123314 AWTZLKMDIMPDTP-BZUAXINKSA-N 440.541 2.060 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)C1 2020889360 VOLQXVSGDWXCJT-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE C#CCCN1CC[C@@H](NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2083723877 SFQCBQWCVOWVIU-BWKNWUBXSA-N 440.588 2.370 30 10 IEEE CN(CC(=NO)C(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230332 YBPOZGQXDUVFER-IBGZPJMESA-N 427.498 2.149 30 10 IEEE CCn1cc(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815012 HHFRBKRMVNOQSG-CQSZACIVSA-N 436.362 2.093 30 10 IEEE COCC[C@@H](CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255815538 PDMHYVZSBGYCSK-HNNXBMFYSA-N 438.330 2.238 30 10 IEEE Cc1cc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)oc1B1OC(C)(C)C(C)(C)O1 2255826620 CBQSDPUQKZBUHK-KBPBESRZSA-N 432.326 2.482 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)n1 2255831697 ZWWTYIKMBFHZPQ-KGLIPLIRSA-N 436.362 2.234 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]2C1 2255863158 LOUSKEJBDPXWBW-GJZGRUSLSA-N 431.342 2.253 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2256235457 UYWPCBRYKOYIHE-QTCYRWPVSA-N 430.314 2.018 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256626913 PKUMEWZNERRKRM-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2259927560 ZBZSOMMRWNWAIR-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)n1 2267119245 TUDKTGIZVQNSNO-IAGOWNOFSA-N 440.353 2.228 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267130563 PKKCLVDDLMQGOK-CABCVRRESA-N 448.373 2.143 30 10 IEEE CCc1nn(C)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267145371 GBHMQZQSRYNNIN-HUUCEWRRSA-N 448.373 2.067 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1 2267171158 FYMXGEGPGNVVHI-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267181269 QDFWAFZXOZROAI-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267282022 ZGPFHHAGTPGROE-FXAWDEMLSA-N 436.365 2.416 30 10 IEEE CCn1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)nc1B1OC(C)(C)C(C)(C)O1 2267497664 NXKOXDRIPAGTOU-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1 2267527138 CBYNIYILEJGNLD-MRXNPFEDSA-N 448.373 2.235 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268613258 QSDQSZDDSAHINX-GOSISDBHSA-N 448.369 2.184 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268637625 NRCIPGQXGLDFMO-HUUCEWRRSA-N 447.341 2.344 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1C 2296558711 NSOTXTOELDMVAY-OAQYLSRUSA-N 437.496 2.153 30 10 IEEE COc1nc(O[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317545092 NHHPDDNNLPBOPJ-HUUCEWRRSA-N 436.314 2.060 30 10 IEEE C#CC1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)c(OC)n2)CN(C(=O)OC(C)(C)C)C1 2317550909 WHAULYNAHNRGAK-UHFFFAOYSA-N 430.310 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2334262969 ATPGLQLRTKKZMX-QLFBSQMISA-N 446.357 2.227 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2337295046 URFAXEHTTXKXRP-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE Cc1ccc(C)c(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)c1 20292399 HYGJEBZGWMVLLB-ZVBGSRNCSA-N 427.490 2.197 30 10 IEEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 22628879 RTTMADXGOMRXPG-UHFFFAOYSA-N 426.420 2.364 30 10 IEEE C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OC 46016786 XHCLXUYGLJNXQC-OAHLLOKOSA-N 429.440 2.113 30 10 IEEE CCOc1ccc(C(=O)/N=C(/NCCN2CCOCC2)Nc2ccc3c(c2)OCO3)cc1 46140699 CVMQMZMZOYWXEX-UHFFFAOYSA-N 440.500 2.344 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2cccc(C)c2C)CC1 58585804 XIFXOVRHZUDVSM-UHFFFAOYSA-N 427.574 2.028 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(N/N=C(\C)c2ccccc2O)n1N 59829668 XXAOVXPAJXTRLT-WSDLNYQXSA-N 427.490 2.273 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(CC)cc2)[C@H](C#N)C(=O)N3)CC1 72444724 SXJWVDRZPSTRAX-ROUUACIJSA-N 449.511 2.336 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](/C=C/c2ccccc2)[C@H](C#N)C(=O)N3)CC1 72444739 MIMYDKOQUHYPRI-XDIYQJDNSA-N 447.495 2.438 30 10 IEEE COc1cc([N+](=O)[O-])c(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1O 169902561 SXVBWLSPQAHTQH-LZYBPNLTSA-N 430.236 2.384 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 438904957 WUJZUIWEIHJQAY-UHFFFAOYSA-N 428.470 2.141 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](c2ccccc2)c2nc[nH]n2)CC1 439459796 WIFWOZKUDWNTJY-UNMCSNQZSA-N 433.491 2.032 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 462400023 FKCBJMBEMZKDSG-UHFFFAOYSA-N 449.554 2.090 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCCC[C@H]1CC(N)=O)CCCC2 494813655 XVCCAKJLSYJMST-IRXDYDNUSA-N 427.549 2.086 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508828300 PHKYIPRQRLBIIX-LJQANCHMSA-N 439.516 2.036 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 515570921 OWGOTOMIKYRZEI-VQIMIIECSA-N 443.525 2.099 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 522109309 GRKSMIFKOKGTAR-CQSZACIVSA-N 436.533 2.300 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)CC1 522307088 GNVODRXMCZRTGF-FQEVSTJZSA-N 427.593 2.190 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCc2nc(-c3ccncc3)no2)cc1 522896341 QSUYLSVJGVSRMS-QGZVFWFLSA-N 434.481 2.476 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CCN(C4CC4)C3)nnc12 531893938 SRZVUEQKZHZVHW-MRXNPFEDSA-N 438.557 2.017 30 10 IEEE Cc1cc(C)c2c(NC(=O)[C@@H](C)n3cnc(C#N)n3)c(C(=O)N3CCOCC3)sc2n1 537307231 NRJXWDKGSHTWMN-CYBMUJFWSA-N 439.501 2.048 30 10 IEEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)CC3)CC1 580966216 YFHYGZOBFMSLRH-CTNGQTDRSA-N 448.571 2.037 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(F)cc1 603786015 FDSDFASEYOIBJT-UHFFFAOYSA-N 425.460 2.205 30 10 IEEE COc1cc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1OCC(=O)N(C)C 603956269 NPXHMFYFKILGAG-UHFFFAOYSA-N 437.905 2.166 30 10 IEEE C=CCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1C(F)(F)Oc1ccccc1 669810633 GXQFDEVRNOVSTD-UHFFFAOYSA-N 427.477 2.110 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cc1F 730139932 SQTNMUJCYGJLSP-SJLPKXTDSA-N 436.553 2.313 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1)c1ccc(C#N)cc1 752582226 OCEXPRDXXWACHB-IIBYNOLFSA-N 438.436 2.386 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCCc2c(C)noc2C)C1=O 754017384 LTOYKUVZJUHGPF-MRXNPFEDSA-N 431.518 2.395 30 10 IEEE O=C(NCC#CC(=O)N1C[C@H]2C[C@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470516 HWJFXGRIGZAYPQ-CPJLOUKISA-N 430.460 2.462 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 777349212 BITDCZAGJOWGJS-UHFFFAOYSA-N 436.449 2.224 30 10 IEEE CN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCN(c2ccccc2F)C1=O 784803094 LWIHRRCGFUTRCO-QGZVFWFLSA-N 428.395 2.070 30 10 IEEE CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 796470726 VPFPMBNKSJPACT-UFYCRDLUSA-N 428.533 2.247 30 10 IEEE CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1 803923905 DDQKIDFBUNWFPS-UHFFFAOYSA-N 443.500 2.499 30 10 IEEE COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)NC1(C#N)CCC1 805829847 SAYQVQWVGYVHSP-YJBOKZPZSA-N 438.450 2.442 30 10 IEEE COC(OC)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1130352172 BOPRAABJXRLFNZ-ICSRJNTNSA-N 436.468 2.240 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1130689490 CVWRFQDVVYZOKZ-HIFRSBDPSA-N 436.306 2.225 30 10 IEEE COc1cc(NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c(F)cc1C#N 1131493066 MPDSDTMWTNCGQX-MBNRZODZSA-N 436.443 2.448 30 10 IEEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)OC(C)(C)C 1136281987 VQEDNRUSOFGSPB-NKFKGCMQSA-N 448.545 2.308 30 10 IEEE COCCCN(C)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1137090294 AKYANUIDRLHXRP-FQEVSTJZSA-N 430.549 2.477 30 10 IEEE N#Cc1cccnc1NCc1cccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)c1 1146350464 BJRDWUXKRYFDLM-UHFFFAOYSA-N 426.420 2.272 30 10 IEEE COc1cc(C(=O)NCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1OC(F)F 1157530691 MNXJJNNXTDSOGZ-LJQANCHMSA-N 445.422 2.498 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)ccc1F 1158017359 HUBPGCAILJYZHA-HZPDHXFCSA-N 439.509 2.124 30 10 IEEE Cc1c(Br)cccc1Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1166614887 NUZVFVDEBFANFG-UHFFFAOYSA-N 434.290 2.343 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1CC(CCO)C2 1175312208 LXCBGJFKYMMOSL-LNLFQRSKSA-N 433.574 2.292 30 10 IEEE O=C1NCCN(C(=O)C#Cc2cccs2)[C@H]1c1ccc(I)cc1 1179733929 MPTGBPAWARFNCO-INIZCTEOSA-N 436.274 2.404 30 10 IEEE CCCC[C@H]1NC(=O)N(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1=O 1189416685 WYWQMNQBBJXFKU-MAUKXSAKSA-N 441.532 2.467 30 10 IEEE Cc1cccc(C#N)c1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1190003052 LMXJYQGZQSKITP-UHFFFAOYSA-N 440.550 2.364 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1264578085 KKTMEYBGTAGYCT-UHFFFAOYSA-N 435.450 2.437 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286389421 JVPBUIWINOESAA-UXHICEINSA-N 428.558 2.040 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1286408711 KJNVKKQETCLWNB-OALUTQOASA-N 444.539 2.420 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286501224 PRQJMOCIBMLCMA-NVXWUHKLSA-N 434.949 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286556076 NFLYQJJKVSZXRB-AABGKKOBSA-N 446.596 2.347 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286646475 RRNWLTHRGPHBCP-IIBYNOLFSA-N 434.537 2.383 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1286700758 QLFAYPZMKMNWBC-SJORKVTESA-N 443.639 2.299 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C)C1)C(C)C 1286750468 AZCGDNOREWOIDW-WOJBJXKFSA-N 430.597 2.438 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1288517578 DOTXWMIPAWXMKZ-GUDVDZBRSA-N 431.585 2.201 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNC(=O)C(C)C)n1 1290633664 RENVOOBNIOTHKU-JOCHJYFZSA-N 426.569 2.432 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1292268009 NGFGGJZFXGDRCN-FQEVSTJZSA-N 443.544 2.215 30 10 IEEE CCc1nnc(N(CC)C[C@H](O)c2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1292873486 BWEZOKLTUYSNRU-XQDODVJUSA-N 438.532 2.235 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CCCCC1 1300329745 SBQPYGLUIKPQJW-ACRUOGEOSA-N 445.608 2.495 30 10 IEEE C#CCCCn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1300424417 GKPOMXDZIVSDKG-QFIPXVFZSA-N 444.605 2.431 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1300456164 WHDDEPYIAUWCKC-CQSZACIVSA-N 430.509 2.379 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([S@](C)=O)CC1 1300649541 MZQRTXGYDLYSLC-HKBQPEDESA-N 443.573 2.144 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300761377 CAQLTLXRSRMHFA-CEXWTWQISA-N 430.530 2.007 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1301339282 LFTQKOCKOIALJX-LJQANCHMSA-N 435.532 2.162 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1301410753 LDXNUXBVNXAEHZ-GOSISDBHSA-N 433.578 2.104 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1301509212 CHDUGTZAFXSCGB-WOJBJXKFSA-N 441.580 2.085 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301611506 DAJNKTHPCBOLKJ-HOTGVXAUSA-N 428.624 2.351 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2cncc2-c2ccccc2)s1 1301784229 LCDDJVLNKAMSDO-UHFFFAOYSA-N 430.555 2.435 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H](C)CC#N)CC1=O 1301861432 UZMMEHKYVKHOJL-CVEARBPZSA-N 441.492 2.087 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1302208248 FGARWXKJJBMEQV-UHFFFAOYSA-N 441.532 2.256 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1302469541 BVFYXAZAHFXBSG-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 1312938160 XMVVUDAZDBDJKL-UXHICEINSA-N 449.393 2.219 30 10 IEEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1312995315 VJYIABFUUCVXOH-SFHVURJKSA-N 428.581 2.190 30 10 IEEE CO[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315728084 YYQZWYNVMAWFCG-KDDVOAFDSA-N 428.537 2.323 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1CC1 1316203424 GTXHQPZFPPRJKX-KRWDZBQOSA-N 425.537 2.395 30 10 IEEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)c1ccc(C)c(C)c1 1355773284 DLJXVYSWFRTJRZ-FQEVSTJZSA-N 442.537 2.315 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1358972693 OZORJGYREJANOR-QRWLVFNGSA-N 429.318 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC2(C1)OCCO2 1358983046 SZWSQIUPUMUCLA-LJQANCHMSA-N 436.512 2.482 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1359014702 TTYGQXRSTVHDOD-QWFCFKBJSA-N 431.581 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCCCC2 1359021601 UOXIXCSHWVECJG-UHFFFAOYSA-N 430.516 2.269 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCCC2)nc1 1359026440 YALGJGHQECPIPD-UHFFFAOYSA-N 431.544 2.393 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359059489 OSORKYPZEWOYRM-LPHOPBHVSA-N 446.646 2.157 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359219075 GGHLEJWGAOTOEH-ROUUACIJSA-N 444.605 2.393 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1359294289 PNCDFSRCPWCIJQ-HOTGVXAUSA-N 431.562 2.276 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1359300496 DAWPVUTZZOWQBC-MRXNPFEDSA-N 429.521 2.046 30 10 IEEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1360377573 NPTXDKNVITYDGF-UHFFFAOYSA-N 428.533 2.445 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 1459849590 WLQZDJGJFOFLDP-MRXNPFEDSA-N 434.496 2.324 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCn3c(Cc4cccc(F)c4F)nnc3C2)c1 1460562020 WUUWFQVAHCUFFO-UHFFFAOYSA-N 443.479 2.308 30 10 IEEE C[C@@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1(Br)Br 1463911813 BCOHNRXUSUCIEN-AWEZNQCLSA-N 428.128 2.498 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 1464616305 GPSMAAKHGHOGJY-INIZCTEOSA-N 426.966 2.473 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1469674050 GSOIEQONGYFGRQ-NRFANRHFSA-N 441.576 2.190 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)cc1 1471994754 QPSCYVKMJAAASW-MRXNPFEDSA-N 449.330 2.128 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3CCOC34CCOCC4)c(C#N)c2N)cc1 1479538342 KEUULYCHZLXDLB-FQEVSTJZSA-N 438.532 2.205 30 10 IEEE Cc1nccn1CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1492705591 LFEKEJQASXPWMU-NRFANRHFSA-N 437.483 2.353 30 10 IEEE CC[C@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1496299110 ABNRTCRLLZFYKL-YZVAWVHESA-N 432.569 2.437 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1503357203 RQESJXURIZKQMM-XMSQKQJNSA-N 426.496 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@H]1C 1507521828 QQBKRNMFNJVIMX-HYFFOGBASA-N 445.589 2.204 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CC=CCC2)c1 1507549665 KGFFOCKMYPNFGC-UHFFFAOYSA-N 442.527 2.053 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCO[C@H]1C 1507606708 VEAKMHUMWUAAHV-ORAYPTAESA-N 435.322 2.326 30 10 IEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507637922 NPHUFTFGUYGQDJ-INIZCTEOSA-N 436.603 2.481 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)cc1 1507669551 NQOXDKMRJZQQHI-FQEVSTJZSA-N 440.569 2.285 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507817024 MHDBWFKHHUAXOC-INIZCTEOSA-N 425.459 2.401 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507968098 QBQNQHVEQYECDZ-HOTGVXAUSA-N 445.486 2.270 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1508161226 YQSMNXKJSBVNEM-INIZCTEOSA-N 431.541 2.009 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCCO 1509210747 HPZSDXKEQAJESS-UHFFFAOYSA-N 430.528 2.213 30 10 IEEE CN(CCc1cccs1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517270260 RLCJMXBGSHGKGF-LZICOFPGSA-N 442.545 2.049 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1517563131 QPPNMEBZHBKAJC-SFHVURJKSA-N 432.532 2.238 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1517581259 FLWPBAFCAGAREK-KRWDZBQOSA-N 446.602 2.150 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)cc1OC 1518163867 BDXPFYHHGAVZDM-SFHVURJKSA-N 437.504 2.057 30 10 IEEE C=CCOc1ccc(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1521038240 FIOBYVFNRDJQIO-FQEVSTJZSA-N 437.544 2.206 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1521115265 MURMJTGPZRGAPW-SFHVURJKSA-N 433.553 2.446 30 10 IEEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)cc1 1521873402 HSRDBTFCCGPFIM-DEOSSOPVSA-N 435.480 2.099 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3coc(C#N)c3)CC2)cc1OCC 1536282412 WIXKUVQPWZUBKP-UHFFFAOYSA-N 433.486 2.095 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1539147175 CUNAVCXHXWGUEL-JKSUJKDBSA-N 435.525 2.051 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@H](C(F)F)N1CCOCC1 1539178214 FOJGQVGUGXRIJF-VQIMIIECSA-N 447.486 2.216 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539212162 NELBQFWLHHACPL-GHTZIAJQSA-N 448.976 2.386 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1539225852 QQQGPLXEEQFBTK-LJQANCHMSA-N 439.541 2.149 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(Br)n1 1539416721 SNCNSEIGGQMMMR-OAHLLOKOSA-N 434.338 2.464 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(=O)NCC)C1 1540895758 ZCHGQPWXMFVNPD-GOSISDBHSA-N 429.569 2.083 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)c1 1541079943 AOMDTLCSFCTGIW-LHLOQNFPSA-N 438.513 2.461 30 10 IEEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C)(C#N)CC2)c1=O 1547627441 VSUZKMADGIVQJS-OALUTQOASA-N 440.548 2.362 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1558561160 HYBXPLUZOBPLPZ-QFIPXVFZSA-N 433.505 2.214 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@H](CC#N)C3)cc2)C[C@@H](C)O1 1559991783 GXIJUNCQFSIJAF-FGTMMUONSA-N 434.562 2.049 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1C1CCCC1 1560145475 LESNXZXHMIQPTG-CVDCTZTESA-N 427.568 2.483 30 10 IEEE N#Cc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)ccc1OC(F)(F)F 1568119388 COXQJYCNNSREKZ-AWEZNQCLSA-N 438.337 2.208 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@H]1c1ccc(O)cc1 1570796731 GXIJVHMAABXFFK-LEWJYISDSA-N 447.495 2.271 30 10 IEEE Cc1c(NC(=O)CSCC(=O)NCC2(C#N)CCCC2)c(=O)n(-c2ccccc2)n1C 1583464020 XCKDBTPWUFAHPF-UHFFFAOYSA-N 441.557 2.356 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 1584296423 HRKRBPKVSPOWFG-UHFFFAOYSA-N 428.533 2.359 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCN2C(=O)C(C)=C(C)C2=O)nc1C 1585262070 VLDZYBYPUKHQOS-UHFFFAOYSA-N 432.531 2.219 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1 1586476625 IBXYIVZLFSJYMC-GCJKJVERSA-N 425.554 2.239 30 10 IEEE C#CCN1CCCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)CC1 1586497377 SZLYBNLXZURHBY-UHFFFAOYSA-N 425.514 2.439 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ccc(N4CCN(C)CC4)cc3)cc2C1=O 1586666240 AVVDHGKUBGJYDO-UHFFFAOYSA-N 432.524 2.193 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1587855800 BLRDIHCRFMQGHA-GOSISDBHSA-N 425.537 2.019 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588060110 ZSTRFRKFCZPCHG-NFBKMPQASA-N 444.601 2.401 30 10 IEEE C#CCN(c1nnc(CN2CCCC2=O)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588069692 SLWYQQKTEZFGCD-LXPRWKDFSA-N 447.605 2.024 30 10 IEEE Cc1c(C(=O)NCCNc2ccc(C#N)cn2)nnn1-c1ccccc1Br 1594797049 DTZIQMSUNHGPLD-UHFFFAOYSA-N 426.278 2.447 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595890303 OTGCHIZQLPGXQP-OAQYLSRUSA-N 441.649 2.399 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1597929382 DXOZXTCUXWNEQD-KRWDZBQOSA-N 426.521 2.380 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618182093 WCJVJVSIXORRDR-UHFFFAOYSA-N 435.269 2.152 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1618866286 GZONUKRJLBSCJI-PMACEKPBSA-N 439.516 2.258 30 10 IEEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1619390808 HYUCGHJYUHVWNR-HTAPYJJXSA-N 428.512 2.364 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CCO1 1619736525 DJFVITFXGULXKB-SFHVURJKSA-N 438.463 2.281 30 10 IEEE C=C(Cl)CNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1621813904 PUPFZAOLOFFFCM-UHFFFAOYSA-N 429.663 2.417 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2c[nH]c3cccc(C#N)c23)CC1 1624572893 HCWUHUXCFCGKHN-UHFFFAOYSA-N 425.489 2.287 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NC)s1 1625096697 CEOWIGJJTYIYDT-GFCCVEGCSA-N 437.971 2.308 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC(CN3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1628224936 BMTWMIYEMVNLGB-DEOSSOPVSA-N 432.609 2.265 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1629349600 HZXSDONETURNLK-MRXNPFEDSA-N 429.945 2.120 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1629547243 HHHJIHWDQJMZNR-IHSWXRNOSA-N 449.548 2.342 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)s1 1631674651 OCARMBLXGUQWBF-KGLIPLIRSA-N 443.591 2.269 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)n1 1635720969 AONWXGBKAIJZCB-UHFFFAOYSA-N 443.979 2.357 30 10 IEEE C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)O2)CO1 1638514451 VRLAZVRPCJPWNH-UQNRQAKVSA-N 438.532 2.285 30 10 IEEE COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c(OC)c1 1643035963 QMOOBWODOCRGJC-UHFFFAOYSA-N 447.488 2.103 30 10 IEEE C#CCN1CCC(NC(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 1644948777 ULPXRIIORAUYSG-UHFFFAOYSA-N 431.558 2.139 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1654221712 HAYRILBXKVUWGI-UHFFFAOYSA-N 446.548 2.457 30 10 IEEE C[C@@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(C)(=O)=O)cc1 1668271337 FMIPKVHFTNGORP-INIZCTEOSA-N 441.557 2.428 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)NCC3CCN(C4CCOCC4)CC3)CC2)cc1 1674310622 BNINJDLYLFYXSY-UHFFFAOYSA-N 425.577 2.276 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1680777786 REYYLFPOVQGFHJ-XYJFISCASA-N 441.347 2.159 30 10 IEEE C#C[C@@H](NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccc(Br)cc1 1683681563 QVKCPVMDMBUGMF-RDTXWAMCSA-N 433.350 2.118 30 10 IEEE COC[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CCCOC1 1685323637 BQMMMJCBUSHZJM-TZIWHRDSSA-N 438.532 2.222 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1689947638 JTPKHHTUPKWAFZ-AYAKEVCGSA-N 438.463 2.153 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1689985747 ASQLKHZZIUVOIR-SFHVURJKSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1689993526 GEDYUTGERQOPLS-HXUWFJFHSA-N 430.574 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1690025262 KARYBHNLTMJLOP-QFIPXVFZSA-N 432.572 2.339 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(S(=O)(=O)NC)c1 1690067234 VZVRYKQNYXBMAJ-UHFFFAOYSA-N 444.948 2.409 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1690077896 YYKCJKLHKOMXIY-OAQYLSRUSA-N 438.576 2.276 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1690206322 NLBSFNREEAJZLU-JKIFEVAISA-N 434.484 2.140 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(OC)cc2)CC1 1690375548 NPIVHBHRMWNPDL-KRWDZBQOSA-N 432.546 2.424 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1690442031 LGCBCKOFXKIYFV-BHIYHBOVSA-N 433.578 2.473 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCN2C 1690609330 KWOAFALYVCWILH-UHFFFAOYSA-N 426.565 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCc2oncc2C1 1690725278 KYLTWTDUBCAWBE-UHFFFAOYSA-N 431.493 2.160 30 10 IEEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690973989 DNKNVGYGTZLHNC-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691561189 UCBOFMISMTUTMP-IVZQSRNASA-N 426.521 2.114 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1698493017 IDTCJARNUJKFLS-INIZCTEOSA-N 429.406 2.455 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1705524782 SCCAMEJSIREQPX-VGSWGCGISA-N 443.573 2.328 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705527032 QKCJNPSOZXBGKP-GOSISDBHSA-N 446.349 2.462 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705560990 PIVFGBLEZUYIHF-UXHICEINSA-N 429.590 2.331 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1705565061 SAMNWRBVIBWYQT-OXJNMPFZSA-N 431.587 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)CC1CCOCC1 1705932969 PWXUFVXFSXKEMI-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnccn2)CC1 1705948009 FZUVVBAKBUPWBB-UHFFFAOYSA-N 439.593 2.176 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(N(C)C)c2)CCOC1 1706678102 BSVMEHAVQJBKIV-NFBKMPQASA-N 440.548 2.162 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1722336531 MYAVWDVLNLBCKO-QGZVFWFLSA-N 429.471 2.409 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722361448 NISSIKQECROMIW-UHOSZYNNSA-N 431.562 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722385792 OWYWULMPVUCBTB-GOSISDBHSA-N 442.564 2.023 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccnc(-n3cccn3)c2)CC1 1722444684 MQIYWKNKBPREAA-GOSISDBHSA-N 446.559 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1722446189 AGOXHIQWUPDWQN-QMHKHESXSA-N 436.516 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](OC)C2CC2)CC1 1722449401 RFUYEWOOOHATQK-IBGZPJMESA-N 442.589 2.025 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1722465822 TULGFHVAZRIELH-SFHVURJKSA-N 427.574 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1722492893 FOJKZPNKRNKEFR-OTWHNJEPSA-N 435.569 2.029 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1722504697 OPFQJBOBFDJYNE-QINHECLXSA-N 429.496 2.289 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722599339 GTTNJHXIVNQTTG-IRXDYDNUSA-N 425.599 2.376 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1722659372 UNKIAXRJSOZLOQ-VQTJNVASSA-N 446.573 2.178 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1722712292 PGOBESHNSZTEGZ-KKIUXKEOSA-N 438.557 2.443 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1724625445 LGLKNHBVGGSGHX-SFHVURJKSA-N 435.532 2.296 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1724870811 RQSXUWIBOBCXFF-GOSISDBHSA-N 427.530 2.320 30 10 IEEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)Oc1cccc(F)c1 1727258060 DSFFSXKWGYAJBC-IEBWSBKVSA-N 425.468 2.404 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)c(OC)c1 1730872715 DPCXSFRDZMUMEE-GOEBONIOSA-N 435.912 2.441 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1731190738 XCJXFPJMGJZAHH-HXUWFJFHSA-N 427.505 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC1(O)CCN(C(C)C)CC1 1740641026 BTPHFPQUPOTWRS-UHFFFAOYSA-N 435.572 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(-n2cccn2)cc1 1740653508 OPADDEOKHMPWTD-NRFANRHFSA-N 427.512 2.121 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740699431 GUNDKTOTUXOPGC-JOCHJYFZSA-N 449.603 2.460 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([S@](C)=O)CCC2)CC1 1740699705 QFJXVLLNVRPCJB-HKBQPEDESA-N 441.601 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740758360 WWORAYTZGKUSQF-HBFSDRIKSA-N 425.537 2.021 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N2CCOCC2)CC1 1740819035 BEFVANDVHVTQBL-UHFFFAOYSA-N 449.353 2.061 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CC(F)(F)F 1740894396 RXLYORDQEAANJN-UHFFFAOYSA-N 431.484 2.465 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](CCc2ccccc2)C1 1740957736 YXBVVHVRIDAKLL-HXUWFJFHSA-N 434.544 2.424 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740958062 HVCYRQKXWOTKME-OAQYLSRUSA-N 449.559 2.410 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccccn2)CC1 1740961216 OZYWZBNZUZFQPC-UHFFFAOYSA-N 435.507 2.032 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOC(C)(C)C2)C1 1740981320 NQQUGEWZAOMZKD-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740984251 YRBLEASLNAMBOY-UGNPLGLKSA-N 440.548 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740991022 MJAMUDJXYSIAPF-DYESRHJHSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2F)CC1 1740995124 AJGMDUNCKHFEIX-LJQANCHMSA-N 449.552 2.196 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(N(C)C)nc2)CCOC1 1741723310 KJFFRDUOPNCZPS-YADHBBJMSA-N 443.527 2.270 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCS(=O)(=O)CC2)c1 1748564333 GMTSLUCXFGAQFJ-HNNXBMFYSA-N 447.561 2.383 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1748747071 CABGVILQRCKMCA-HKUYNNGSSA-N 426.565 2.118 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 1748891578 ARQLAKLSNIZROV-FQEVSTJZSA-N 433.512 2.299 30 10 IEEE COc1cccc(Cl)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1748958862 DAMWEIPAGISCJO-KBPBESRZSA-N 437.953 2.486 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)CCCO2)CC1 1748999058 GXHRZTIIEIKCQU-HSZRJFAPSA-N 425.533 2.190 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749204865 UPLCSMFOUBHHIY-UHFFFAOYSA-N 428.468 2.093 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749434093 HRDTXUOHCXGGIN-GOSISDBHSA-N 444.605 2.394 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](C(N)=O)C1 1749657863 DIBKDCHEDXDLSU-LSDHHAIUSA-N 442.589 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749738734 WBUZDQUPCBHDHO-QUCCMNQESA-N 432.590 2.261 30 10 IEEE N#CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 1750386803 NQTHCUQMWMHAFV-UHFFFAOYSA-N 427.900 2.327 30 10 IEEE CC(C)c1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750638930 LTTYPXLGQFBFFA-ZZEZOPTASA-N 428.537 2.325 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1750986138 BJYVVUNWVUZVAO-UHFFFAOYSA-N 425.537 2.082 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@H]2CCCCO2)CCOC1 1751026745 QMMNVHBPSDOOJM-WOIUINJBSA-N 433.553 2.397 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H](C)N2CCCCC2)CCOC1 1751027554 XGVXLCZCDVBNJM-ZRCGQRJVSA-N 446.596 2.312 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1751095678 ZBDPJYKXDZCHKT-IXDOHACOSA-N 426.512 2.266 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cs1 1762285371 CKFVMQWRXHDRRO-KRWDZBQOSA-N 446.558 2.160 30 10 IEEE CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1764257501 ZPQLATIGTCOLSN-MOPGFXCFSA-N 425.537 2.190 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1OCCC1(C)C 1766408172 VKNYZFZVFYTTFS-SFHVURJKSA-N 425.537 2.223 30 10 IEEE CN(c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1766982301 VNKUITVWFVWNMT-HNNXBMFYSA-N 429.477 2.144 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1767248894 OXWQZUFWDYZAHX-GCJKJVERSA-N 427.505 2.007 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1770803260 RNUWIQLEMOAXAF-ZWKOTPCHSA-N 440.483 2.146 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCc1nnc2n1CCCCC2 1771281400 GUQXPNDMPQJDLS-ZWOKBUDYSA-N 442.568 2.159 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NCc2ccco2)C1 1771530389 JSULKRVYNQGWFM-QFIPXVFZSA-N 438.463 2.251 30 10 IEEE Cc1nn(CC(=O)N2C[C@@H](C#N)[C@@H](c3ccccc3Cl)C2)c(C)c1S(=O)(=O)N(C)C 1851001856 TYXKZTLYKPRJKT-WBVHZDCISA-N 449.964 2.169 30 10 IEEE N#Cc1ccc(NC(=O)c2ccccc2N2CCS(=O)(=O)CC2)c(Br)n1 1852290383 SUFDWYCYDLTECO-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE COc1ccc(CN2CCn3nc(C(=O)NCc4ccc(C#N)c(F)c4)cc3C2=O)cc1 1852433328 ZIFMDFYQGATVFY-UHFFFAOYSA-N 433.443 2.488 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N[C@H]1CCCN(C(=O)COc2cccc(C)c2)C1 1853219298 UFMZFJXQMGDQMF-IBGZPJMESA-N 437.496 2.440 30 10 IEEE C=CCN(Cc1ccc(F)nc1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1853408489 FOVNMXCRWLIVDU-UHFFFAOYSA-N 436.509 2.441 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1 1854755991 PGVSQBKUOOKMFI-UHFFFAOYSA-N 429.473 2.078 30 10 IEEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 1855725147 SIHNJRHCONMRKZ-OAHLLOKOSA-N 425.938 2.114 30 10 IEEE CC(C)c1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856679237 BMBHWBVUDQIIQJ-IBGZPJMESA-N 433.530 2.265 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN(C)C)ccc1O 1862738028 QMEDRIIOZMJHRN-IBGZPJMESA-N 441.440 2.449 30 10 IEEE COc1ccccc1-c1nc(CC(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)c(C)o1 1866671612 NYJFQKHIMGRQIT-LJQANCHMSA-N 434.452 2.189 30 10 IEEE COc1ccc([C@@H](C(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OC 1866993326 YLZBKORARWWZIU-NQIIRXRSSA-N 425.485 2.431 30 10 IEEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCC(CO)CC2)cc1=O 1870559771 QLJHDNQIDMJDKW-UHFFFAOYSA-N 440.540 2.325 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874280040 IMUIUDIFCHKKSR-HXJASHHUSA-N 432.506 2.267 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1889438814 ITLBMKQIVFPXTB-UHFFFAOYSA-N 441.572 2.108 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)C3CC(OCc4ccccc4)C3)nc2)OC1(C)C 2043135976 ZVVDENZDQVWLSK-UHFFFAOYSA-N 445.350 2.265 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626704 ZZUBRJRYADIQIS-WMLDXEAASA-N 434.342 2.223 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1cccc(Br)c1C#N 2118202208 XIKCDZQBPBHLOH-SFHVURJKSA-N 426.311 2.413 30 10 IEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(c2cc(Br)cnc2C#N)CC1 2174710671 BKFNHRYPQSCFQT-UHFFFAOYSA-N 438.326 2.279 30 10 IEEE N#CC1(CS(=O)(=O)N[C@H]2COC3(CCN(C(=O)OCc4ccccc4)CC3)C2)CC1 2174787011 PLLPQWOSDLVGBU-GOSISDBHSA-N 433.530 2.170 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1CO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2218680396 ITKGYSRSBLSPPE-CZUORRHYSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2224120756 MZTGMRQMPHGPNC-UAGQMJEPSA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@H](CS)C(=O)O 2229107183 GTPGCIMOUQRFQP-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247832401 OPTUANJIJSNSAC-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247833616 JETWBJQCTSHLCF-QWHCGFSZSA-N 437.371 2.333 30 10 IEEE CN1CCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2248511051 UACIUTBNJFLOBA-IBGZPJMESA-N 428.533 2.106 30 10 IEEE CC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2255627831 ZAAVYSDGHIVCJJ-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@H]1NC(=O)OC(C)(C)C 2255633088 WDARJYXDJVRUIQ-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1 2255635181 FHNAKXKYSHDADC-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE Cc1cc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2255658362 CBQSDPUQKZBUHK-MIFYACCESA-N 432.326 2.482 30 10 IEEE CN(OCC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256677627 GBLBRSMBXDHFAF-UHFFFAOYSA-N 434.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266996945 ANTGCKWBWFGOFA-QGZVFWFLSA-N 449.332 2.316 30 10 IEEE C[C@H]1[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267014447 YWBCGDHBFFUIAO-GOEBONIOSA-N 448.373 2.237 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267137690 OQYZGSCAKIRGQW-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C1CN(C(=O)OC(C)(C)C)C1 2267145838 IWKFYDCIWIYODP-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2267572722 ZJZWMPDUYWRBLC-SCAQPMJSSA-N 443.353 2.284 30 10 IEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267608532 GMNTYTJQDNBSSA-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE Cc1ccc(S(=O)(=O)N=C2C(=O)c3ccccc3C(O)=C2N2CCN(C)CC2)cc1 2297747456 ALCNBCPGLYHWEN-UHFFFAOYSA-N 425.510 2.495 30 10 IEEE CC1(C)OB(c2cc(O)c(C(=O)N(Cc3ccccc3)C3CNC3)cc2F)OC1(C)C 2317253490 LZALOSOZCUWXGY-UHFFFAOYSA-N 426.297 2.445 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccnc1 2325926930 ICAHZLUZEDVFLY-UHFFFAOYSA-N 431.319 2.486 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2329035006 VHPQZXBEKPBHHO-AWEZNQCLSA-N 446.489 2.058 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(OC)cc1 2331273337 HZQOWWMKPUYCRZ-UHFFFAOYSA-N 429.502 2.359 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc([N+](=O)[O-])c1 2331273531 MYCBWMUREOLQOT-UHFFFAOYSA-N 444.473 2.259 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]1C2 2338375722 PUKVFNRHYBPXMD-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343639806 YFBGTEJNVQEGNA-HZPDHXFCSA-N 449.332 2.410 30 10 IEEE COc1ccc(CCNC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)cc1 20917412 QXHWCYCUDOAVQU-ZMOGYAJESA-N 439.545 2.206 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 429547168 KRMFPWLXZXKDLJ-NSHDSACASA-N 440.813 2.930 30 10 IEEE C=C(C)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(F)(F)Oc1ccccc1 460946734 OVVPXVIBJYXDRG-UHFFFAOYSA-N 441.504 2.454 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 481521129 SGTJBLNBTZOLMR-KSSFIOAISA-N 427.482 2.317 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1F 485356425 UXMIQHHPYLFVIK-UHFFFAOYSA-N 449.938 2.107 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 503615899 TYEZYWYPRNPJBZ-HNNXBMFYSA-N 437.327 2.430 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)ccc1Cl 504061905 RESLIPLOORFQLA-MRXNPFEDSA-N 445.972 2.078 30 10 IEEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 505730127 UJCSYQUTLNIDON-CMJOXMDJSA-N 442.516 2.470 30 10 IEEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cn2)C[C@@H](C)O1 513484636 LVAHAPNNWWRRQP-GASCZTMLSA-N 425.464 2.200 30 10 IEEE CN1CCC(C#N)(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 521860249 GBBYWILVUYCUQJ-UHFFFAOYSA-N 438.553 2.151 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1 523395596 ZLKXQFRKKPYRLP-UHFFFAOYSA-N 441.553 2.433 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 532826013 NPUQDGYFJQUIKC-UHFFFAOYSA-N 443.960 2.451 30 10 IEEE C[C@H]1CN(Cc2csc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)C[C@@H](C)O1 546916607 GZKJWSZTYGGNBG-IYBDPMFKSA-N 441.561 2.373 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)N(C)C)CC1 558991367 IQAMDLITOJEAHI-UHFFFAOYSA-N 436.358 2.426 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(CCc4ccco4)n3C[C@H]3CCOC3)CC2)n1 559215299 YLGVRKCKUUDQFK-GOSISDBHSA-N 433.516 2.286 30 10 IEEE COc1cc(CNC(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)ccc1C#N 570561391 ODJAFWWBEXEZCF-UHFFFAOYSA-N 432.484 2.243 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CC1 576381488 XRYMDSNLTJAZGC-UHFFFAOYSA-N 447.524 2.153 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 578920610 NFJZLAJRSVKFHR-OALUTQOASA-N 431.562 2.181 30 10 IEEE CCOc1ccccc1CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1 586862483 YHTBIKQATAUFFU-KRWDZBQOSA-N 438.503 2.445 30 10 IEEE CCCCN(CCCC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604022536 IDTOPQWOHVHHLE-UHFFFAOYSA-N 442.607 2.012 30 10 IEEE N#Cc1ccc(OCc2ccc(C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)o2)cc1 619821117 NKOZRWXKHZTNPQ-UHFFFAOYSA-N 429.498 2.370 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 655119985 JNMFEHKCDAHYRA-MRXNPFEDSA-N 435.480 2.009 30 10 IEEE C=CCOCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 679495515 IDZRFSNXLSEVDE-UHFFFAOYSA-N 447.532 2.269 30 10 IEEE COCCCN=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1cnn(C)c1 727972464 UVRGIHSUEVJBKT-CQSZACIVSA-N 440.529 2.489 30 10 IEEE CNC(=O)c1cncc(/C=C\C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)c1 732057060 DANQKUQQTXGXCD-YFHOEESVSA-N 443.511 2.151 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)C(C)C 744430405 YPHJVWBIBSMGHD-RBUKOAKNSA-N 445.589 2.229 30 10 IEEE Cn1ccnc(N2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)c1=O 745835170 WEMVXEJGPMNEOY-UHFFFAOYSA-N 434.525 2.412 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2ccc(OC)c(C#N)c2)C1=O 746529288 NQGDVSNGKMCWLG-QGZVFWFLSA-N 439.497 2.238 30 10 IEEE C#CCN(CC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C)[C@H]1CCS(=O)(=O)C1 754643995 GVZPAJQSIOMRJK-FQEVSTJZSA-N 442.537 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 759395389 NHJSUKLGVTZBDD-HNNXBMFYSA-N 443.472 2.397 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 763769755 KMRMPXJDWLJYLX-MJGOQNOKSA-N 432.498 2.322 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCCOc2cccc(C#N)c2)[C@H](C)O)cc1C 763844001 WRBYJQWPWUIXII-LAUBAEHRSA-N 446.525 2.215 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)/C=C/c1cncc(C)c1 772563876 VRRHAIMDXGSAKJ-VMPITWQZSA-N 432.436 2.326 30 10 IEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=Nn2c(S)nc3ccccc3c2=O)C1 794487969 GZDNEZRUBOSCOU-AWEZNQCLSA-N 445.545 2.282 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 917925838 RGKZTVGKTQSHRL-FQEVSTJZSA-N 446.550 2.123 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NCc1ccco1 1084053370 ZWWGSAIYBLGRFX-UHFFFAOYSA-N 446.405 2.069 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)c1OC 1084649714 URANROSXGFAEBZ-UHFFFAOYSA-N 427.490 2.071 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1130904068 FWRGQYJKOMIJHM-WIYYLYMNSA-N 433.574 2.404 30 10 IEEE COc1cccc(C[C@@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)n2nnnc2C)c1 1134277585 CJJSJHAVONUCCG-FCHUYYIVSA-N 432.484 2.246 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)NCCNc3ncccc3C#N)cc21 1136423917 BVFMVXFGJYMTHI-HNNXBMFYSA-N 425.493 2.351 30 10 IEEE N#C[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1144003286 IHWMKDKMJYHATH-HOTGVXAUSA-N 428.297 2.014 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)CCc1ccccc1 1162121550 MJTMGCRWACCTLF-KRWDZBQOSA-N 430.486 2.104 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1c1ccccc1 1163204566 STRWXARZQVOBDJ-ALQZDLGESA-N 439.512 2.487 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)cc1S(=O)(=O)NCC#N 1178321028 RVQZEZBSIWDPCQ-UHFFFAOYSA-N 426.498 2.422 30 10 IEEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3c(C)c(C#N)nn3-c3ccccc3)ccc21 1274175920 FIPSFRWOVIFFSY-UHFFFAOYSA-N 442.479 2.330 30 10 IEEE Cc1nc(SCC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c(C#N)c(C)c1C 1279033545 YFJVMNVVUZJUPR-ZIAGYGMSSA-N 435.493 2.405 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCOCC1 1286422039 UJSKBVNTEIGNNS-UHFFFAOYSA-N 436.516 2.427 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)N(C)CC)CC1 1286473761 SUGMVFCMAFEAHQ-QGZVFWFLSA-N 440.617 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCCO[C@H](C)C2)CC1 1286486501 NGACNNDTBJQMHA-WOJBJXKFSA-N 444.624 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2CCCCC2=O)CC1 1286489470 UPEZXTPDRHPSGC-UHFFFAOYSA-N 448.571 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCSC(F)(F)F)CC1 1286493294 NBNNCDZSIQZDQG-CQSZACIVSA-N 431.484 2.001 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286601727 TUJXLQJVWGIXLL-OAQYLSRUSA-N 427.530 2.320 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286712125 ZFTOTZOAYJPTRK-HNNXBMFYSA-N 427.475 2.344 30 10 IEEE C=CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1286732877 HAGOWIJIHRFBDL-UHFFFAOYSA-N 433.603 2.479 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1286756587 OPAIETJAWSJULW-SFHVURJKSA-N 429.546 2.001 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(C)CN(C)C1=O 1286765331 OTEKMSGPFXCLHN-HSZRJFAPSA-N 435.532 2.452 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1297769114 PMCVTVWXQCHLPM-NRFANRHFSA-N 448.568 2.467 30 10 IEEE C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)n1cnc(C#N)n1 1300154747 UGRWZVJBWQQKSP-VQHPVUNQSA-N 432.525 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)N1CCOCC1 1300522617 KGGRBWGKTSKARB-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(OCC2CC2)c1 1300545530 RJLJMEHBPONAAQ-UHFFFAOYSA-N 429.528 2.445 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1300556428 BXEUKESIWAZNJH-SFHVURJKSA-N 441.513 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCOCC1 1300590699 DZRGBOFSMSRYNT-OAQYLSRUSA-N 430.556 2.465 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1300980513 JOROAUICDOXAGN-QGZVFWFLSA-N 427.505 2.229 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1301216457 KVKSVAJCSGNSJQ-FBBABVLZSA-N 440.596 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301585987 OWAGCPNPLJLIFP-SFHVURJKSA-N 437.610 2.278 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301600536 CBLDFIBLGMKPJC-INIZCTEOSA-N 437.547 2.396 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)C2)nc1 1312679238 YVCLHYCUCFHMGS-MOPGFXCFSA-N 425.537 2.219 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2)C[C@H]1O 1315109298 PHTCGRIRKAYDQY-GUDVDZBRSA-N 441.557 2.463 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCNc2ccccn2)c1 1316530793 YGGSBBAXGWUHSW-IBGZPJMESA-N 430.516 2.416 30 10 IEEE CN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccc(F)cc1 1323005347 TVWYZFYREKCNBW-JAXLGGSGSA-N 449.486 2.464 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358955226 HXZQSSDMHOTSIM-ZDUSSCGKSA-N 438.541 2.498 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1CCN(CCN(C)C)CC1 1358975237 IMXHXBYZYFFOFE-UHFFFAOYSA-N 434.588 2.300 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCOC[C@@H]1C 1358989976 WEYQTCGEBKIVNB-IBGZPJMESA-N 437.544 2.146 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359023033 WJOMIDMIVYDKSZ-WMZHIEFXSA-N 425.533 2.463 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCC2)CC1 1359041605 CCBPUVJLSAEEEC-UHFFFAOYSA-N 427.936 2.479 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359213137 KSKSUZDNQSNBKT-UHFFFAOYSA-N 448.575 2.083 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CCOCC2)C1 1359294604 YORWUOXEPSYPQH-SFHVURJKSA-N 440.504 2.408 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](COC)OC)C1 1359321201 BVRRVKZBHORQSH-HLIPFELVSA-N 430.505 2.233 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)N1CCOCC1 1360583460 DTKOKLHQBPGAAO-QGZVFWFLSA-N 428.562 2.003 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cnc(Br)c(Br)c2)CC1 1436029443 OCFZXXICGKIPRX-UHFFFAOYSA-N 429.112 2.208 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@H](C)COC 1437608763 XMPZUILTRRPVQW-CVEARBPZSA-N 425.507 2.045 30 10 IEEE N#Cc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 1437616203 HSKMYZDCLXERDM-UHFFFAOYSA-N 433.917 2.205 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1443737924 AAMQXVIITXGYSV-IBGZPJMESA-N 427.398 2.193 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cc(F)c(C#N)c(F)c1 1448190609 XRNYAAQJGREZRF-UHFFFAOYSA-N 435.452 2.096 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)c2cnn(CCC#N)c2C)cc1Br 1449762640 OUGKGXMCYVCYIA-OAHLLOKOSA-N 435.322 2.457 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1 1454728307 HSFGRUMBBGQJNS-MRXNPFEDSA-N 437.525 2.055 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)C1 1455705252 OVJFVAIKGJTJGW-GGPKGHCWSA-N 447.601 2.189 30 10 IEEE C=CCn1c(SCC(=O)N=[S@@](C)(=O)N(C)C)nnc1[C@@H]1COc2ccccc2O1 1458824442 DVMBZCNNMGMVOA-PEGYKEAPSA-N 437.547 2.170 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COCCO1 1504447643 FBZKHCLEGPGKQU-QRWLVFNGSA-N 433.509 2.436 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1504599969 VKCPCMWLJBBNQM-SFHVURJKSA-N 441.511 2.185 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CC=CCO2)cc1 1505320485 ZWGAVJMIDRSFIX-LJQANCHMSA-N 444.486 2.461 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C(C)C)N1CCOCC1 1507538172 QPBMDZRDSVQFRY-PZJWPPBQSA-N 435.576 2.331 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1NC(=O)CC1(C)C 1507701202 ZMUOVBRNBMGEHD-IBGZPJMESA-N 433.491 2.429 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507709988 AQDMLDQPTYSHRA-LJQANCHMSA-N 440.548 2.400 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(COC)CC1 1507839368 CXBNHSXPMRJUDF-UHFFFAOYSA-N 438.536 2.376 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1508013012 LMMLFJVBVCVMFK-UHFFFAOYSA-N 439.564 2.339 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1508132365 UCSXCPUVPQQYOV-AUSIDOKSSA-N 443.523 2.229 30 10 IEEE CCCN(CCC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1514760162 BUWRNHIGXIRKFS-PXNSSMCTSA-N 440.589 2.134 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@H]4CCC[C@@H]43)n2CC(=O)NCC(F)(F)F)cc1 1521101441 BUOCLCHNXNNEST-ZBFHGGJFSA-N 434.422 2.396 30 10 IEEE Cc1cnnn1-c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1526593827 YCKNNTDVPQBFQR-LJQANCHMSA-N 429.440 2.291 30 10 IEEE Cc1cnc2c(cnn2CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 1534147114 TTXUJOGTJMBBMN-HKOYGPOVSA-N 426.502 2.191 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539134572 XBECPBRTAZHTRF-UHFFFAOYSA-N 434.588 2.221 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1539171157 HGHUDYUCBFLQGX-MRXNPFEDSA-N 435.532 2.049 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1539225103 LUCLHOLTFVMTKJ-IBGZPJMESA-N 443.573 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ccc(C)cc1 1539296625 RYDAWTGDZNYQEB-OALUTQOASA-N 427.574 2.463 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1539343885 RBCJATXEXDYXMC-AWEZNQCLSA-N 425.942 2.080 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NCC)CC1 1539452410 SBRQNHHGSAIAEW-UHFFFAOYSA-N 442.995 2.440 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC(F)(F)F)CC1 1539459905 RPMTVEDMRCJLSC-UHFFFAOYSA-N 440.495 2.367 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1539499722 OKMDXWRINWQPAL-HZPDHXFCSA-N 434.587 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)CC1 1539643240 LPZODGBZSZXSCD-AVRDEDQJSA-N 425.533 2.473 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539710074 LOHSLWVESUWCOD-UHFFFAOYSA-N 430.578 2.285 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1539744193 DVUKQHCNSREGSS-NRFANRHFSA-N 438.576 2.453 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nnn(C)n1 1540191089 BUWPCSQWUSHUSH-UHFFFAOYSA-N 428.566 2.486 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2ccsc2)CC1 1540874172 XIPUDCIERIQYMK-UHFFFAOYSA-N 428.562 2.148 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(CCOC2)C1 1540874564 LCXXQPAOJZCCOJ-QHCPKHFHSA-N 425.533 2.393 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCn1cc(Cl)cn1 1541637935 FQHIVSMFABQULC-UHFFFAOYSA-N 426.912 2.474 30 10 IEEE Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1542974255 OBCMYWQLUFTOFQ-OAQYLSRUSA-N 446.515 2.443 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545576593 ASJORPWFWVLLBI-NSERTSAKSA-N 442.442 2.086 30 10 IEEE CCOC(=O)c1cnc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1C 1558976989 XDPWFPRMPKGWFF-YZGUTLMUSA-N 431.493 2.322 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 1563390051 POGDALBZBONXGS-CQSZACIVSA-N 439.538 2.271 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC3(CC2)CO[C@@H](CNC(=O)OC(C)(C)C)C3)C1 1565345975 DFUCNZGQYKBNMM-RBUKOAKNSA-N 434.581 2.189 30 10 IEEE COC(=O)CC1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOCC1 1568978140 AEHUPDDOBOQQFF-BNGSBABLSA-N 449.548 2.249 30 10 IEEE C#CC[C@@H](NC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1)C(=O)OC 1570221775 VVFLBVVEACGJAB-MWLCHTKSSA-N 427.242 2.385 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1585881797 JKLQKOMTIPDFGB-RTBURBONSA-N 445.585 2.332 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1585976590 KNXPNKQSKNASQE-OAHLLOKOSA-N 435.488 2.066 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588030499 WOBNQCWQBGVGNH-JXFKEZNVSA-N 436.603 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2nccn2C1 1588251142 MCQCMFJVTHZPHH-SFHVURJKSA-N 447.568 2.192 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)C 1589568747 MEIFMKGUXYSJIA-RXVVDRJESA-N 429.569 2.082 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1594114559 DQAWRUZULBMRKM-INIZCTEOSA-N 436.607 2.072 30 10 IEEE C=CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594775665 VYDIKHYHASOXQE-LEWJYISDSA-N 438.594 2.300 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1595170403 BQBWRUPHVHZCEK-XUVXKRRUSA-N 430.597 2.148 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1596243564 HZAASYODEOZLKA-IAQYHMDHSA-N 437.290 2.448 30 10 IEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(=O)OC 1596794685 FVVWMGDWLMANMS-FQEVSTJZSA-N 434.558 2.200 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@H](c3nccc(O)n3)CC2)s1 1603635466 WELAYSUGFQHLKB-HDJSIYSDSA-N 436.559 2.093 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(C(C)(C)C)C3)nnc12 1611590725 YHLSGMOQIKFMJH-OAHLLOKOSA-N 440.573 2.311 30 10 IEEE O=C(c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)N(O)Cc1ccc(F)cc1 1611666819 CEXXOLOYRRYKBW-INIZCTEOSA-N 434.445 2.181 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1615100270 HQGJLEXXRKUKGQ-FQEVSTJZSA-N 440.548 2.175 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC[C@@H]1COCCO1 1619899709 FXLVLYLUXQCHET-NHCUHLMSSA-N 441.532 2.460 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccs2)CC1 1620169642 ARQSNVJSUFGMCV-UHFFFAOYSA-N 442.570 2.203 30 10 IEEE COc1cccc([S@](=O)CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 1625970007 ONZCJEXHKNZXQS-XJFOAMIZSA-N 449.554 2.254 30 10 IEEE N#Cc1cnc(C(=O)N2CCC(n3nncc3I)CC2)c(Cl)c1 1632923283 DUWZLFMULWPZPR-UHFFFAOYSA-N 442.648 2.280 30 10 IEEE CC(C)CSc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@](C)(C#N)C2)cc1[N+](=O)[O-] 1642034452 APPXMYIYTKTRJS-SFHVURJKSA-N 440.547 2.383 30 10 IEEE COc1ccc([C@@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1644249292 YPQGHLSJLLUZCL-IBGZPJMESA-N 429.498 2.019 30 10 IEEE C[C@@]1(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)COC(=O)N1 1652065850 GSEIAZZKCLRLJW-SZNDQCEHSA-N 430.892 2.302 30 10 IEEE C#CCN(C)CCCNS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1 1664193322 RDYFTFUDVBWADA-UHFFFAOYSA-N 431.352 2.168 30 10 IEEE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 1665417703 BHLBREQNXQTSKG-UHFFFAOYSA-N 445.488 2.219 30 10 IEEE CS(=O)(=O)c1ccccc1CCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1675916700 CCGKWKPCYILDQS-GOSISDBHSA-N 427.530 2.185 30 10 IEEE N#Cc1ncn(CCNC(=O)N2Cc3cc(Br)ccc3OC3(CCC3)C2)n1 1682388320 CJUGQWFCFITGJY-UHFFFAOYSA-N 431.294 2.439 30 10 IEEE CCCOC(=O)C[C@@H](CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)CC(C)C 1682513510 SEHBQGOYZAFTRM-SFHVURJKSA-N 432.569 2.437 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1)c1ccccc1 1683507398 CKHBZQJMPUHDBK-INIZCTEOSA-N 430.306 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCc3c(nnn3-c3ccccc3)C2)C1 1686055014 GDAGEOBCKUUXBF-RDJZCZTQSA-N 437.504 2.094 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCO[C@@H]1C(C)C 1690092246 AYERDAJDYVUDQE-IEBWSBKVSA-N 426.521 2.073 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1690117493 JIYDNPQFSWQJSS-IBGZPJMESA-N 438.576 2.059 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(OCCN2CCCC2)CC1 1690175336 VAARANLGUQCDLI-IBGZPJMESA-N 433.622 2.230 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1)C1CC1 1690545611 VIVZEEFTAYFLIK-FQEVSTJZSA-N 445.589 2.317 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690673171 QHSXLLHLWVKERV-HXUWFJFHSA-N 426.540 2.375 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCN(C)C2)C1 1690711807 IOLZGXMZEUOSOC-ZJSXRUAMSA-N 441.576 2.322 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOC2(CCCCC2)C1 1690722621 PROQGTBRPQFLGU-UHFFFAOYSA-N 433.578 2.424 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1691002220 YHDXTABODGEGBS-INIZCTEOSA-N 436.495 2.355 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCCCS(C)(=O)=O)n1 1693421796 OUZRQGHQMPRZQB-UHFFFAOYSA-N 447.609 2.485 30 10 IEEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1698307390 FRLFYTMKGXNZGE-UXHICEINSA-N 443.573 2.157 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1698484367 QMYVZGBHOIJSPP-OAQYLSRUSA-N 441.417 2.131 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705531397 IGCSOJKIJZWJGG-LSDHHAIUSA-N 442.545 2.265 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705536539 RDEUARBOYUFFMP-SJORKVTESA-N 428.562 2.188 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1705556024 IKPXTRUBXQBMCX-UHFFFAOYSA-N 435.576 2.072 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705663608 NPGWROSUMWTBMC-OAQYLSRUSA-N 425.602 2.453 30 10 IEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705690322 RFJAHJNGFWXVJX-IAGOWNOFSA-N 449.349 2.332 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@H](C)CC 1705841895 FYVAASKTAPIMIU-QGZVFWFLSA-N 426.569 2.379 30 10 IEEE Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)s1 1707709581 APAFRCMXPFIOSE-ZFWWWQNUSA-N 438.517 2.223 30 10 IEEE CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1708778991 PZIOWVREPFJGQC-PKOBYXMFSA-N 425.493 2.456 30 10 IEEE CN(CC1CC(F)C1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1711129642 GNRDEDVDNQJXEM-OOZHFNPCSA-N 432.500 2.230 30 10 IEEE COc1ccccc1CN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1711989820 FYTCJFNIBNVCHD-XDOYNYLZSA-N 447.499 2.445 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc(-c3cnccn3)n2CCCCCO)CC1 1712881937 OVNCXEJFKZQDMQ-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCCC2=O)cc1 1722274758 YLZLUAABRCGQNY-GOSISDBHSA-N 434.544 2.143 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)cc1 1722277080 KIAFDHNBIQISAD-OALUTQOASA-N 427.549 2.345 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722315675 ZPLXKUNALINNDQ-IBGZPJMESA-N 440.573 2.386 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722340137 OFCURCMTZQTMER-FQEVSTJZSA-N 445.589 2.405 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722511286 ZMMLTJDPUUSOIY-VJANTYMQSA-N 433.553 2.430 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722684957 FQHLLFAUSFXYMO-INIZCTEOSA-N 432.887 2.170 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@H]2C)C1 1722715366 OWXUJUUCCKMPCE-YLJYHZDGSA-N 442.520 2.355 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)cc1C 1724410488 AGTRMGCRBDJTDC-KRWDZBQOSA-N 436.520 2.365 30 10 IEEE CCOCCOCc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1729175688 HQFMDMUZROQPPB-NHCUHLMSSA-N 441.532 2.112 30 10 IEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1729505008 HSBJQZLVVCDRAX-UHFFFAOYSA-N 443.515 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@@](C)=O)cc1 1740548157 DOQVYTXNZQGQHO-PBNKOMEISA-N 439.541 2.391 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740583138 VSBFRSPWUGXAFL-SJLPKXTDSA-N 432.546 2.002 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1740756026 DYFNSRXRYCZPLQ-QUCCMNQESA-N 441.580 2.263 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC(C)C 1740915882 WLJQHPKVGXBNGT-UHFFFAOYSA-N 440.548 2.240 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC(=O)N1 1740922921 XDTCNXPFALWXQK-IERDGZPVSA-N 431.562 2.463 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740964384 OCSOFINLVOSIME-RTBURBONSA-N 426.565 2.387 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@]1(OCC)CCOC1 1740964678 GKNDTNCJEXJFJO-QFIPXVFZSA-N 445.951 2.449 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccccc1)N(C)C 1744096226 AZNOYEPAXPPOFV-UXHICEINSA-N 439.564 2.228 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1746068459 HLTRCYVPFLBAHX-UYAOXDASSA-N 438.580 2.106 30 10 IEEE CNC(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748280147 QLLQTZFYSUYHIS-IYBDPMFKSA-N 445.568 2.315 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1748784844 IFZYTXFJQWJYQO-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818226 XTWZZDBCPSFVDP-LEWJYISDSA-N 441.601 2.132 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1749474196 YSUAVVHTUZPGRE-UHFFFAOYSA-N 440.367 2.365 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(C)C)C1 1749677318 VSZONHFDWCOAQU-FQEVSTJZSA-N 427.549 2.235 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)C1 1749713372 SNCKGTOEILFTQP-OALUTQOASA-N 439.626 2.080 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1749718687 HHFJDGSOKYSTEE-KZNAEPCWSA-N 441.523 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2C)C1 1749732324 VOQYWHWQVUKZQA-IEBWSBKVSA-N 443.573 2.132 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)C1 1751277917 QJKSIHKQVWAFHX-GHTZIAJQSA-N 448.593 2.241 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760184067 VAULDYHBFIYMMJ-MJGOQNOKSA-N 449.621 2.257 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760186760 GHIMMDSZEDLHJK-HXUWFJFHSA-N 433.622 2.294 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1760186811 GKPCFOOZUIKIBN-HZPDHXFCSA-N 428.505 2.192 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2sccc2c1 1760194014 BBQDDEGHMOPHDE-HNNXBMFYSA-N 427.555 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1760246482 RIYIOHFPCWFXRR-UHFFFAOYSA-N 439.541 2.072 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760347125 FGQHEPKAORYIJX-GOSISDBHSA-N 428.581 2.452 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760377993 UZPRDWNRYSLIMS-AWEZNQCLSA-N 432.941 2.215 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1760427519 CDGHXIDEIMOZNU-IBGZPJMESA-N 431.562 2.488 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C)CC1 1760452661 QFOMFQBVDCPHBX-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCOC(C)(C)C 1760522598 XHSXJKCDTOOPQR-GOSISDBHSA-N 429.521 2.344 30 10 IEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1760530981 YZQWXWFOZHEFCZ-UHFFFAOYSA-N 426.565 2.273 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCSC1 1760753591 XXSSDZZFQFFCNQ-NRFANRHFSA-N 428.562 2.270 30 10 IEEE CC1(C)C[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1761551355 BGBHACAJQVJLRK-QGZVFWFLSA-N 428.562 2.381 30 10 IEEE CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1763576552 BYMAJIPNFNNGRU-INIZCTEOSA-N 426.521 2.380 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](CC)N1CCCC1 1767931710 AALDGEXSOIUPRR-HXUWFJFHSA-N 438.580 2.282 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1769261658 BEBFRARZDWRCBP-HKBQPEDESA-N 440.573 2.080 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)cc(OC)c1OC 1769803771 QFUZGILFPOXDGM-HYVNUMGLSA-N 445.520 2.107 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1769841682 GZKRGDMWKVMISI-HSZRJFAPSA-N 433.516 2.338 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CC1 1771111947 BESQYXZWWYIPIZ-OKXSDPAFSA-N 445.545 2.068 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1771187921 JXJWQXPBZPUXQY-VLIAUNLRSA-N 434.447 2.222 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1F 1850511409 IBYRAEABRBJGFU-UHFFFAOYSA-N 434.475 2.174 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc(N3CCCC3)nc2)cc1 1851999620 LFKRMVAXIYIXFS-JOCHJYFZSA-N 436.512 2.490 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)[C@H]1C 1854296141 URNRESSLAVKNST-KGLIPLIRSA-N 445.994 2.048 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccn(C)n1 1854527625 QPQCEYVCOGSBJK-INIZCTEOSA-N 428.514 2.269 30 10 IEEE CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)CC#N)[C@H](C)C2=O)c2cc(F)ccc2n1 1854815906 YFUCOJRACCVHKF-CYBMUJFWSA-N 432.477 2.024 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CC[C@H](Oc4ccc(Cl)cn4)C3)C2=O)ccn1 1855102895 MMPXLURQZUCWER-ZWKOTPCHSA-N 425.876 2.286 30 10 IEEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cncc(Cl)c2)CC1 1855853711 IVNIFFIDHQFMLK-UHFFFAOYSA-N 444.900 2.389 30 10 IEEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(Br)cc2)C1=O 1863560258 PKJIAONVTYRRJI-UHFFFAOYSA-N 434.334 2.027 30 10 IEEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCc2ccc(O)cc2)sc2c1CCC2 1872707196 HHXHSTLWUXDOGH-UHFFFAOYSA-N 439.453 2.145 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874338399 VHPQZXBEKPBHHO-IEEVUCOHSA-N 446.489 2.058 30 10 IEEE COCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(O)c(O)c1 1874470610 DHCYLLVCTWAMRZ-KEBDBYFISA-N 432.458 2.432 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(OC)c1OC 1874501035 MOTJTEFIGAMDJV-LSHDLFTRSA-N 445.501 2.325 30 10 IEEE COc1ccccc1OCC#CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 1890607921 LAOFZVWXDZMTBC-UHFFFAOYSA-N 428.510 2.355 30 10 IEEE COCC#CC[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892236783 CYLNXMFHQCVAKM-ROTAYESASA-N 441.505 2.377 30 10 IEEE N#C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)CCN1Cc1ccccc1 1914763472 KSIZKRPTHAOSRO-ZRBLBEILSA-N 432.524 2.341 30 10 IEEE COc1ccc(CNC(=NCC[C@@H]2COCCO2)N2CCN(c3ccccn3)CC2)cc1 2087918176 RXYPWBZLTPXEDM-JOCHJYFZSA-N 439.560 2.164 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237380347 JWHXIILAUPOJKF-UZLBHIALSA-N 437.334 2.482 30 10 IEEE Cc1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2247852808 ZXOBCZBDSQQKTO-UHFFFAOYSA-N 432.273 2.106 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247923301 WFBVWHVKQIONLF-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248433403 KHTUXSHAMGGZTL-BETUJISGSA-N 437.371 2.362 30 10 IEEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255630399 JVDZLSAXDFAKRQ-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255630787 ORANPQKYANYNNF-HDJSIYSDSA-N 434.346 2.132 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCN1C(=O)OC(C)(C)C 2255696947 BFMJEBSHSBPYPB-GDBMZVCRSA-N 433.358 2.452 30 10 IEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255933251 MEYFGGZKBWINAN-UHFFFAOYSA-N 445.346 2.350 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256619264 XMDVBUVSTLTXDH-YEJXKQKISA-N 449.382 2.316 30 10 IEEE COC1(CNC(=O)OC(C)(C)C)CC(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258960854 LSGMJLDFDQCVOH-UHFFFAOYSA-N 436.358 2.447 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259927153 UWDKJMHLMURSEI-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE Cc1c(C(=O)N2CCCN(Cc3ccccc3)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266996572 ITOPRHURMTYWHS-UHFFFAOYSA-N 438.381 2.376 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098520 ABYVEZDBDFHRPY-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267127497 JKQDAUCBLBUMNB-CABCVRRESA-N 448.373 2.189 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267145092 DMPOETDVUXQVIQ-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267492801 DHPOXLQBBTYGBG-XMMPIXPASA-N 438.381 2.361 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267499536 VHILXMZLVZSSJK-IBGZPJMESA-N 438.381 2.313 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 2267525432 DETHOBMIMMJIAX-LJQANCHMSA-N 438.381 2.280 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267549345 LNQLRCCIBLQBNK-UHFFFAOYSA-N 446.357 2.105 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881052 XBNVETFMXDNNQT-LSDHHAIUSA-N 446.357 2.009 30 10 IEEE C[C@@H](C#CC(=O)N(C)C[C@@]1(O)CCCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 2302424333 VCEUPLCTVIXAIY-CYFREDJKSA-N 429.561 2.389 30 10 IEEE COc1[nH]c(=N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317502184 XDXJBMDSUCVFSI-AWEZNQCLSA-N 433.358 2.479 30 10 IEEE COc1ccc(Cc2nnc(S)n2N=Cc2cc([N+](=O)[O-])c(O)cc2O)cc1OC 2322193017 CAQGJGGZOKAXEZ-UHFFFAOYSA-N 431.430 2.376 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cc(C)ccc1O 2328261585 GBIAKRBFXBJBNH-UHFFFAOYSA-N 427.486 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](O)C#Cc2cccc(Br)c2)(S(C)(=O)=O)C1 2351777747 QTRXYJRBJLIUPD-OAHLLOKOSA-N 444.347 2.196 30 10 IEEE Cn1ncc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2352396057 JZKNWQRGJYDLTQ-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367793784 DPJOIFCHSCPSLB-ZVDOUQERSA-N 435.542 2.134 30 10 IEEE COCCn1c(=O)/c(=C\c2ccc(OC(F)F)cc2)s/c1=C(/C#N)C(=O)C(C)(C)C 9439871 SCVIDBXASKWPRI-SRDSUALGSA-N 436.480 2.276 30 10 IEEE COc1cccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)c1O 59016817 MRHSHUVCXQUPDI-DNTJNYDQSA-N 442.457 2.424 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)s1 59016874 MRAKBRMSLRYEQW-REZTVBANSA-N 434.507 2.110 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 109888652 MTMJOTWIVXHUAQ-AZUAARDMSA-N 434.521 2.447 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(I)cc1Cl 410421327 VFJNXQIACJQLHK-SECBINFHSA-N 427.695 2.370 30 10 IEEE CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)nc1 432808993 VEOJVZTUMKAMJN-UHFFFAOYSA-N 429.502 2.279 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 460547675 NFABJCJQLXGKJC-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1 462108208 KPKIBEJKJOZWBI-TZIWHRDSSA-N 431.500 2.143 30 10 IEEE COc1ccc(Br)cc1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465183815 AQMUPZJXJLSFSX-ZDUSSCGKSA-N 430.306 2.399 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 469240691 HCQLTRORZARGIV-UHFFFAOYSA-N 443.529 2.064 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 478163665 DJWCRMDDJNBJOQ-UHFFFAOYSA-N 439.534 2.347 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC(=O)N2C(C)(C)C)cn1 480248393 DBJKVPIVCOEBLA-QUCCMNQESA-N 446.515 2.258 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCOC4(CCSCC4)C3)C2=O)cc1 487414341 PZPUSMNXOCFZOV-RBUKOAKNSA-N 428.558 2.403 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)CC1 512717750 CKTOCBATUYFMLH-UHFFFAOYSA-N 443.979 2.440 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 515661169 JSPRUBRYFJHFLJ-UHFFFAOYSA-N 444.491 2.035 30 10 IEEE CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1F 517999041 XZQWMOUGEDOVIN-UHFFFAOYSA-N 446.504 2.312 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3OC)CC2)c1 523733052 LZPZEKYAXBNPFK-UHFFFAOYSA-N 433.505 2.261 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(c3ccnc(N(C)C)n3)CC2)cc1 533530971 WAYSEJURVSZKTG-UHFFFAOYSA-N 437.548 2.010 30 10 IEEE C=CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 537628721 ZFYCAKIWYSSHHK-UHFFFAOYSA-N 443.525 2.089 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3F)c2=O)c1 538496323 CHVKJPZUDCQHLR-UHFFFAOYSA-N 437.496 2.478 30 10 IEEE CC[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 544857608 WNGCCCXNVBPQBT-PKTZIBPZSA-N 448.571 2.464 30 10 IEEE Cc1nccc(N2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)CC2)n1 546109707 OEVNACFOJBQEDA-UHFFFAOYSA-N 446.471 2.433 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4)[C@H]3C)CC2)c1C#N 558609848 JTSWZTDTRVRHFR-QFBILLFUSA-N 438.557 2.344 30 10 IEEE N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 559142124 YQMSCVRXAUEUIW-LJQANCHMSA-N 426.542 2.160 30 10 IEEE COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(S(=O)(=O)c1ccc(F)c(C#N)c1)CC2 560330010 YYSVXGVBUXBKLT-QGZVFWFLSA-N 434.445 2.477 30 10 IEEE COc1cccc([C@@H]2[C@H](NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)CCN2C2CC2)c1 563757656 UGLVUEOAWCLQJM-NHCUHLMSSA-N 437.548 2.424 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)Nc3cc(C(=O)O)ccc32)cc1Br 570578939 OOCRQXAALVJYOP-UHFFFAOYSA-N 436.243 2.166 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)OCCc3ccccc3)cc21 586312887 IFTCFPMVWGQJNQ-WJOKGBTCSA-N 441.505 2.315 30 10 IEEE COCCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 603934597 NZCYOKJWTVDMJI-OAQYLSRUSA-N 427.526 2.389 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 605407413 PUPOVBLCQZPOFI-UHFFFAOYSA-N 436.438 2.343 30 10 IEEE CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)C1 610178315 WXRLOYZBVKDFSQ-UWJYYQICSA-N 432.590 2.148 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)s1 726182026 JCUHUILUCHOEAB-UHFFFAOYSA-N 436.562 2.185 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](OC)C(=O)O 757276632 QMMWYDCZZWGSKQ-RTWAWAEBSA-N 436.464 2.133 30 10 IEEE Cc1cccc(C2(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 765659824 FHGHCVJETQSRTQ-GOSISDBHSA-N 441.553 2.352 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 774030903 SMAFJBYFYGOSKG-IBGZPJMESA-N 427.482 2.163 30 10 IEEE CC1(C)CC[C@@H](CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)O1 777466631 BRAJOUHMCQOUQG-IRXDYDNUSA-N 444.557 2.343 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2CC(C)(C)C2)cn1 780321712 FAXUXUXWWJRTCZ-QGZVFWFLSA-N 434.610 2.339 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)n1 788814556 ZXHUMZHQBJRZFJ-UHFFFAOYSA-N 446.573 2.023 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(F)cc1C 795772860 IRZRDYUDJNMRGG-UHFFFAOYSA-N 432.477 2.088 30 10 IEEE N#C[C@H](C(=O)CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1nc(O)c2ccccc2n1 796145708 NONVMCDUTGLIKV-UKRRQHHQSA-N 449.433 2.292 30 10 IEEE CS(=O)(=O)N1CC[C@@H](CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)C1 801524545 JZUPWRURRNQSQT-KRWDZBQOSA-N 425.514 2.428 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCOC1 802763882 KERXSDCABSSDQF-MJGOQNOKSA-N 438.532 2.079 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 812195611 CYJWSNYDAZBNGC-VGWMRTNUSA-N 437.541 2.443 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)OC)Cc3ccccc32)ccc1F 1134367926 QWDRXAJBQHKRPP-MRXNPFEDSA-N 432.473 2.282 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H]1C1CC1 1144174411 GRWOMYNBSNELFN-DLBZAZTESA-N 432.318 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1162223060 BUKBWVWXKODVBE-MODMUFLJSA-N 440.500 2.386 30 10 IEEE COc1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1NC(C)=O 1191951743 DGKZTSILQLSYCK-UHFFFAOYSA-N 442.541 2.468 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCn3cnc(C(F)(F)F)c3C2)C1 1225938668 RONOCSQPYRXIBT-RYUDHWBXSA-N 428.415 2.186 30 10 IEEE CSc1ccc(CNC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1C#N 1248682644 ZJUNGQYJLJSEBE-UHFFFAOYSA-N 428.518 2.043 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CCS2(=O)=O 1251481387 HUWCJOSGJLOMOP-DKTYTTGXSA-N 445.541 2.131 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1286303575 ZRUCQTLBEQAOTH-LJQANCHMSA-N 435.576 2.213 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1286390483 AJBBJCMCEBXICX-RBUKOAKNSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCCn1cnnn1 1286423266 IEIYFTSQKBUSCT-UHFFFAOYSA-N 439.321 2.247 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)CC1 1286478531 GAACSZCIDCAQKY-UHFFFAOYSA-N 438.551 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=C)Cl)CC1 1286489459 UAJCZNIZXFRZET-UHFFFAOYSA-N 441.919 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccnc(OC(F)F)c2)CC1 1286493622 OLPMYVVQVWUQBV-UHFFFAOYSA-N 446.502 2.487 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)cc1 1286495988 KKOMTCGUHIIJPT-CQSZACIVSA-N 425.555 2.030 30 10 IEEE C=C(Br)Cn1c(CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286539755 CFEALNPSXGHTIS-UHFFFAOYSA-N 435.326 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCS(=O)(=O)CC 1286566656 SLTXLUZXQONNGE-AZUAARDMSA-N 433.578 2.116 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286671181 SVIDXYVHYFPERN-INIZCTEOSA-N 433.582 2.103 30 10 IEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286709882 HRYBGFQXGSZFFE-GOSISDBHSA-N 443.552 2.238 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286787327 RQBPLWARDOIQNV-FQEVSTJZSA-N 442.527 2.368 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286816524 FXWQCKMXQSDVNL-IAGOWNOFSA-N 426.583 2.167 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 1290342059 BVZCGJVNTFMHQT-WMZHIEFXSA-N 428.533 2.421 30 10 IEEE CC(C)C[C@@]1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCNC1=O 1290813065 VKDYAPORTFEUKG-JOCHJYFZSA-N 426.496 2.066 30 10 IEEE C#CCN(C(=O)[C@H](CCC)S(N)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1293513170 BQJPWGFQMFMRGM-HOCLYGCPSA-N 429.336 2.192 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 1299999716 SKSMGEFKTXWABX-AOMKIAJQSA-N 428.489 2.329 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1300412193 YTZGEMRSTVYYQD-IBGZPJMESA-N 427.574 2.310 30 10 IEEE C#CCCCn1c(N(C)CC(=O)Nc2cccc(C#C)c2)nnc1[C@]1(OCC)CCOC1 1300423206 KDZFKIJUZCYLSB-DEOSSOPVSA-N 435.528 2.400 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300768580 UJLSHVVGTODIEH-JOCHJYFZSA-N 441.557 2.297 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301082419 HXANNSGYHRIXFD-MOPGFXCFSA-N 444.511 2.066 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc([C@@H](C)OC)n2)C1 1301565976 IFBMYHXWJSYCOR-NVXWUHKLSA-N 446.577 2.394 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCCC1 1303627258 HCAJFCSTBXGBQX-KRWDZBQOSA-N 438.536 2.456 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1305326585 GXRHBYLTSCWMSG-LTMIRXACSA-N 439.564 2.172 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1305547520 FTVWMSQPPCFNTJ-ULQDDVLXSA-N 425.541 2.021 30 10 IEEE CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 1310303013 DRPWLSMDYVTJRZ-HNNXBMFYSA-N 425.580 2.473 30 10 IEEE C#CCN(C(=O)NCCCCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1312542085 FPNGLJNAYPPFPW-UHFFFAOYSA-N 429.583 2.246 30 10 IEEE CSCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1316471952 IIYOSPRKEZLONW-SFHVURJKSA-N 437.570 2.433 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCn2cc(Br)cn2)CCO1 1316538049 GOPQBJYJGCMZPT-AWEZNQCLSA-N 446.284 2.472 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)CC2=O)cc1 1318383942 ZBUSSUXFMBVQQK-OAHLLOKOSA-N 442.472 2.229 30 10 IEEE N#CCc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 1323464601 CRYBFAFVANCBQY-UHFFFAOYSA-N 433.917 2.318 30 10 IEEE Cc1nc(SCC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C#N)c(C)c1C 1338210419 ADDGGQZCDIFTIO-JOCHJYFZSA-N 437.525 2.342 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1358926881 FXGKWEKNJADXET-UHFFFAOYSA-N 449.490 2.015 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1358931926 SQIRHQYCNHDQDY-UHFFFAOYSA-N 445.527 2.219 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CCN1CCOC(C)(C)C1 1358954165 XMKCCOJGPXJIML-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1358963077 BJPKPQHPFJXLFY-MRXNPFEDSA-N 449.552 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H](c1cccs1)N1CCOCC1 1358975200 HEKZBQIFPABMNA-FQEVSTJZSA-N 434.569 2.491 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CCCO1 1358987570 LHLQIUWZKMQKGL-JOCHJYFZSA-N 426.542 2.381 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1359001615 YSURYHYCKQNONN-AUSIDOKSSA-N 441.580 2.181 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC[C@@H]1CCCCO1 1359023463 LIMCXWLTOUXUSN-KRWDZBQOSA-N 429.521 2.441 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359062511 JZSUNOABDHSRRQ-OAHLLOKOSA-N 445.511 2.391 30 10 IEEE C=CCc1ccc(OCC(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)c(OC)c1 1447604234 KWWYHPIJYVBGTR-UHFFFAOYSA-N 425.485 2.379 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCCN4CCSC[C@@H]34)C2)C1 1455784560 CMTUBKFWZFPOBV-PZLQNSFZSA-N 434.606 2.469 30 10 IEEE C#C[C@@H](NC(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N)C(C)(C)C 1460803092 SNKINGCQABACKJ-MRXNPFEDSA-N 447.580 2.265 30 10 IEEE CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1465065268 JGLMIWQJZGHQHM-IEBWSBKVSA-N 426.517 2.377 30 10 IEEE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@H](O)C(F)(F)C(F)(F)F 1478786465 PWAIFDMMGHUSFD-LBPRGKRZSA-N 433.324 2.159 30 10 IEEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)OC 1496591377 FIXFMJQCWVZWDR-UHFFFAOYSA-N 426.521 2.260 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1503175919 VHHIXDXMMNXZCF-HXUWFJFHSA-N 440.548 2.066 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1504098929 NYYBMJVXQFCHRO-WFASDCNBSA-N 445.911 2.334 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1507629707 OSCBJMSWMYKBAL-GOSISDBHSA-N 429.571 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](CC)N1CCCC1 1507654289 YFFYQPXPOJQSJT-QFIPXVFZSA-N 446.603 2.399 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1507764449 MJANNLRKZIBKTN-IFXJQAMLSA-N 436.607 2.196 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(Cc2cc(C)no2)CC1 1507791870 BCCHRKSMCDFPQE-UHFFFAOYSA-N 425.331 2.342 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507968986 YNSKSQCTRXDUGI-NHCUHLMSSA-N 444.580 2.484 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCn1cc(Br)cn1 1509655178 AXUOLFFFUFUEGP-GOSISDBHSA-N 449.357 2.206 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)cs1 1511545835 LPPMBRFWZJLLNW-ZWKOTPCHSA-N 429.594 2.483 30 10 IEEE CCCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514552297 ATYZADDCBNJPAE-FQEVSTJZSA-N 426.569 2.133 30 10 IEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CCC1 1515979253 OZGPZUXPZGYUMO-GOSISDBHSA-N 438.532 2.260 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1517016751 BONPORKYEWELJN-GPMSIDNRSA-N 430.940 2.467 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1517514020 LDCLBSRMUYIACN-YVWKXTFCSA-N 438.532 2.116 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1519274678 DIAOYSVTKFLZDH-SGTLLEGYSA-N 425.415 2.220 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1529449563 YCVPVEBKFDEUIV-HSZRJFAPSA-N 440.500 2.470 30 10 IEEE N#C[C@@]12CN(C(=O)[C@H](c3c(F)cccc3Cl)N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1536179475 JSXWHAKXEGSTHI-DCPHZVHLSA-N 439.940 2.403 30 10 IEEE C#CCCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1539140123 MADBXSSDEDUVAR-QHCPKHFHSA-N 441.507 2.336 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1539221453 OMIUYUINMXKEJU-SJORKVTESA-N 434.587 2.217 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(OC)CCOC2)CC1 1539452621 WEHBKPUHNDYZSA-JOCHJYFZSA-N 429.952 2.083 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)N(C)C)CC1 1539873847 FKBHMWTYIRZUTC-AEFFLSMTSA-N 426.631 2.267 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@@H]1CC)c1ccccc1 1539948602 QJYOEDSPIWUTOC-UXHICEINSA-N 436.560 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](COC)C1 1540865866 VDPAVIQKXJBUKA-AWEZNQCLSA-N 434.338 2.483 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1541798144 CIIZADYWDKTUBU-YCRPNKLZSA-N 446.939 2.405 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2n[nH]c(C)n2)cc(OC)c1OC 1554732459 BCCGGXDDWFLLOX-ZDUSSCGKSA-N 440.508 2.236 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1555269373 MUAQHEZOLGBFPN-SIKLNZKXSA-N 439.495 2.287 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(I)cc3N)C2)nc1 1556824596 MATMYHXEPWZJJX-ZDUSSCGKSA-N 434.237 2.434 30 10 IEEE C=CCC1(O)CN(C(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)C1 1558317668 RYEUKSNFXDIZQY-LBPRGKRZSA-N 427.452 2.161 30 10 IEEE C#C[C@H](NC(=O)N1CCC(O)(c2scnc2Br)CC1)C1CCOCC1 1565105450 IDLBMPZJGGBHEO-ZDUSSCGKSA-N 428.352 2.327 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 1566162908 CPFFXIPUYFRJQG-QGZVFWFLSA-N 435.546 2.181 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc(C)n(C)c2C(=O)NCCO)s1 1568664606 QNBXPFQQQUFZQD-UHFFFAOYSA-N 443.982 2.241 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1570148087 DNEAJROPFUGINN-SJORKVTESA-N 439.553 2.435 30 10 IEEE CCN(Cc1c(CO)cnc(C)c1O)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1570322684 PQEPJFZKBPBXSE-UHFFFAOYSA-N 431.514 2.328 30 10 IEEE CN1C(=O)CC[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1=O 1570520306 WMGQIRBHFBHQQX-QGZVFWFLSA-N 436.493 2.166 30 10 IEEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1585789512 HCHGGYQARRAAOT-QGZVFWFLSA-N 448.589 2.049 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1587620391 CUDNKCAIMORGOB-QZTJIDSGSA-N 433.560 2.382 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1587697602 UUOGIJFAWHXQJQ-UHFFFAOYSA-N 425.512 2.178 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1587754948 PHHUCFXWMSNCJQ-UHFFFAOYSA-N 444.543 2.273 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C(C)C 1588139056 KNVYIYPONPQXSC-RBUKOAKNSA-N 445.564 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)C)C1 1588627889 ASDKMSINNRMWLU-GOSISDBHSA-N 442.564 2.212 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1589089736 XTEIRPSPDJREDS-GOSISDBHSA-N 427.574 2.405 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589295390 FVRWDJIJSUGKCL-HNNXBMFYSA-N 427.391 2.347 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCN(C(C)C)CC2)CC1 1594009428 KJNRKJXUYDZVEU-UHFFFAOYSA-N 439.564 2.317 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1594868499 ZIEHCJALTXUMPA-GCJKJVERSA-N 429.569 2.343 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1594963888 ZEFIZBPLCMIRBO-QFBILLFUSA-N 445.589 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1595777454 MYLRYOJGYQYWER-ZWKOTPCHSA-N 442.589 2.336 30 10 IEEE N#CCCN(C(=O)CCC(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1)c1ccccc1 1606641002 IAVPAYHYBZNQSR-HNNXBMFYSA-N 442.907 2.258 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1615338412 YZLMUTVWNJGQCM-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1619615896 MANCKTRUOQUOJV-NRFANRHFSA-N 442.539 2.350 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1623552948 UYMUYIXIGNDPGS-MOPGFXCFSA-N 427.505 2.499 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)cc1 1624399022 KRJSTOSMBOPHNX-BVPBIZIASA-N 434.414 2.300 30 10 IEEE C#CCN(CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC)cc1)C(=O)OC(C)(C)C 1627899168 WGZBSAHNRWYJKU-KRWDZBQOSA-N 433.530 2.406 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)cc2=O)n1 1630436249 LZBQZSWQDPRYBN-OAHLLOKOSA-N 432.362 2.466 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1631334942 FRARJNQIDLFLQL-QUCCMNQESA-N 447.944 2.037 30 10 IEEE COCCc1noc(CN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1631769534 WTKORCLQZSRMCL-FAGJFJLWSA-N 433.509 2.004 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(CC)CC)CC1 1634980038 OYRKNRLJWGUJLO-KRWDZBQOSA-N 445.004 2.471 30 10 IEEE CCOC(=O)c1cn(C)nc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1637972275 QSSUYQGNNKATGG-GJGORFQUSA-N 431.493 2.322 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(C)CCN(C)CC2)n(-c2cccc(F)c2)c1C 1644647078 IDYOZOUOHGHLKU-UHFFFAOYSA-N 426.540 2.223 30 10 IEEE CCOC(=O)[C@](C)(CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)CC(C)C 1645158199 FXYPLBSAGVJHSK-BTYIYWSLSA-N 437.562 2.235 30 10 IEEE C#CCN(C(=O)c1cc(S(N)(=O)=O)sc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1649385278 PMCSRBPBXAIVPS-UHFFFAOYSA-N 441.575 2.179 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1650672060 FOLOPDGQIXFUGY-NFTFIMACSA-N 431.414 2.127 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(CO)(C(F)(F)F)CC2)CC1 1656350981 CNEMHZBTLXOUMY-HNNXBMFYSA-N 430.496 2.094 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)C1 1657626730 OWXISANWWAWNHD-KRWDZBQOSA-N 435.594 2.002 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)n(Cc2ccccc2)c1C 1660498869 DDGDRYKFZMYLDL-WMZHIEFXSA-N 440.569 2.330 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3([C@H]4CCCCO4)CCC3)CC2)cc1 1674842141 YZKWOLHAOQCHPH-HXUWFJFHSA-N 446.573 2.314 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1678592812 OVNZWYGBPGHDRL-QGZVFWFLSA-N 433.530 2.118 30 10 IEEE CC1(C)Cc2c(Br)cccc2[C@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1686608834 AYNDMPOAYWVFDB-OAHLLOKOSA-N 446.305 2.206 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCC1 1689948958 LLQWEMORZDRDPZ-UHFFFAOYSA-N 429.594 2.100 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ncc(CC)s2)CC1 1690110735 XUOVNYJIXCPTGX-UHFFFAOYSA-N 443.621 2.213 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690170578 MZSBWKHFBJBNGE-UHFFFAOYSA-N 427.578 2.427 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCCOC)CC1 1690228134 OCOYUOFUCVQBBB-HNNXBMFYSA-N 442.358 2.160 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)COCCO1 1690603550 DGPCPUFSXVAICC-JOCHJYFZSA-N 429.521 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1690668022 PSPCHMYZOZGRNJ-UHFFFAOYSA-N 435.532 2.278 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 1690705470 DCEDGLTZMNJDQN-IBGZPJMESA-N 445.589 2.403 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)C1 1690706540 JGUKINQQMWUWGY-OAHLLOKOSA-N 430.463 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690722794 VSDYNQCUTLCUHC-OKILXGFUSA-N 428.509 2.007 30 10 IEEE C=CCSCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1690750795 PYPIPRUWOYSOOF-QFIPXVFZSA-N 449.621 2.441 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690753105 ZWBPGFTVXVZWAH-FUHWJXTLSA-N 445.593 2.446 30 10 IEEE Cc1occc1CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692927617 OSGSEOXRILTFML-RWNPKEDZSA-N 440.504 2.236 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1694247444 APKQIQVISUMKAC-CVEARBPZSA-N 436.438 2.227 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)OC(C)(C)C 1694738922 GTELIHKVBNHFSL-UHFFFAOYSA-N 440.552 2.349 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1695143223 FOKKGWNDLIGTGZ-IBGZPJMESA-N 438.532 2.104 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2nccnc2C)cc1OC 1696126261 GAVBIDGSEXHKOX-GOSISDBHSA-N 449.515 2.422 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@](C)(O)C1CC1 1696331441 FSAHBNJGWNANKI-QFIPXVFZSA-N 428.512 2.313 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1696885706 OOEYDVUOOOVONM-PMACEKPBSA-N 434.422 2.467 30 10 IEEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1)OC 1697761571 SBDLQVDEHLOCRA-KRWDZBQOSA-N 438.488 2.175 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OCC)CC1 1705511736 FGMDSQRVGOXNNY-UHFFFAOYSA-N 449.519 2.003 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)CC=C 1705600782 MARSWCGCRJFLTG-UHFFFAOYSA-N 435.553 2.345 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1705626750 HXPBJXOXIIYRHW-CQSZACIVSA-N 444.442 2.104 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(Cl)cc2OC)CC1 1705635254 VBUIKVRDZOHUPH-QGZVFWFLSA-N 447.967 2.468 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN(C)Cc2ccc(F)cc2)CC1 1705638023 VDRVPDISVFHNTH-UHFFFAOYSA-N 433.535 2.366 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1705840862 FLKMQIHCBZJFRM-WAIKUNEKSA-N 438.532 2.227 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1)C1CC1 1705856098 FVCCASWRYNFAIO-IYBDPMFKSA-N 443.556 2.280 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705896343 JQTJINTYUGUQLH-CZUORRHYSA-N 434.422 2.275 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cn3cccn3)cc2)C1 1705914244 JXIKAJSVZPZPED-NRFANRHFSA-N 449.559 2.491 30 10 IEEE CC(C)c1ccccc1OCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1706266662 AOZVGQCTZAMHOP-GOSISDBHSA-N 438.532 2.332 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C 1710204833 HBZDNHBRACCPIW-LNLFQRSKSA-N 442.589 2.170 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1(C)C 1712070009 AZDDCZQIAWTXLX-QGZVFWFLSA-N 429.546 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722280488 FMIJQSOJWZJYER-WMZOPIPTSA-N 443.983 2.394 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1722316374 BKAUNKRYMQAXQU-UHFFFAOYSA-N 445.589 2.153 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1722317070 QDEPYIIJQARXMU-NMLBUPMWSA-N 449.621 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)CC1 1722448922 DCQFKCMYFWHNBE-UHFFFAOYSA-N 432.528 2.495 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OCC)C1 1722455439 TYFUDSDMTKEBBB-IBGZPJMESA-N 438.561 2.293 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722462102 RMCZEBLNDYRXQE-OAHLLOKOSA-N 446.527 2.070 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722494073 MEJMFCJVHQKSBM-KURKYZTESA-N 443.552 2.473 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1722497380 VFLMCUULXGOGIJ-RBUKOAKNSA-N 427.530 2.033 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCOC)CC1 1722562966 AKRRRWXGRMRGPL-UHFFFAOYSA-N 434.566 2.058 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nnn(C)n2)CC1 1722566550 UHNMTPIXKFMHPK-MRXNPFEDSA-N 443.556 2.121 30 10 IEEE C=CCC(C)(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1722593157 JGDXMXWYEOZWDV-QHCPKHFHSA-N 449.596 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722726740 BSBBKMCNOAKTTA-UHFFFAOYSA-N 436.500 2.425 30 10 IEEE CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727290673 AVKVICHZYUPIES-UHFFFAOYSA-N 433.516 2.350 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CCO1 1727835077 IALVKJCZDQTSTA-SFHLNBCPSA-N 441.532 2.395 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(C#N)c1 1729221046 RLPSQDWIXAWDAK-IBGZPJMESA-N 446.577 2.357 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1729415154 HSOFHZHYABLJJW-LJQANCHMSA-N 435.532 2.018 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1731141840 VFYMLORYBROSFC-DNVCBOLYSA-N 429.546 2.255 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)C)C1 1740542478 WFEWWJMSWAZPKO-MOPGFXCFSA-N 433.564 2.499 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1740621148 UFAIPWWNNAUPFD-YESZJQIVSA-N 448.520 2.120 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1740669266 UEPMWNSAJZCUQM-UHFFFAOYSA-N 435.532 2.174 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740696869 JCLANRVPZKBPIU-HXOBKFHXSA-N 429.515 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2(C)CC2)CC1 1740700468 AONHZSNXJDVDJS-UHFFFAOYSA-N 428.581 2.353 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1740917002 DGHZMOSNPLBFBP-AWEZNQCLSA-N 447.590 2.289 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(CC(=O)NC)CC1 1740954856 HKKUKHFKFNDVLK-UHFFFAOYSA-N 447.543 2.148 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1747858886 FSFDPNMVHACSCZ-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1748739583 CVPPTKLDAVZEBP-JOCHJYFZSA-N 444.557 2.391 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1748751618 ZQOSHOBVGWLMMZ-ZWKOTPCHSA-N 433.553 2.315 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(OC)c(OC)c1OC 1748841272 WTGNRXPFQACDAD-UHFFFAOYSA-N 434.500 2.020 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCN1CCN(C(C)=O)CC1 1748946967 VRUHCCUAEJKSJJ-UHFFFAOYSA-N 440.567 2.420 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749103881 GHUOATZCFUMZEB-HNNXBMFYSA-N 439.402 2.174 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1749235029 MLEXWPFVYLOURJ-XMMPIXPASA-N 439.560 2.400 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1749255515 ADYUFYLFEJQCGE-CYBMUJFWSA-N 435.912 2.390 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2ccco2)CC1 1749312539 MUMAKXDGZRRINJ-UHFFFAOYSA-N 440.529 2.449 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1749454411 FGMQEGGVVMHPRY-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749457559 RXJHDFLNKUTPRF-MSOLQXFVSA-N 446.596 2.201 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC[C@@H](F)C1 1750966116 CNDCMRCYUXSCAR-FUHWJXTLSA-N 440.527 2.148 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1751929383 IPBRZNIVVHSHKJ-MRXNPFEDSA-N 440.552 2.341 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760181644 YZVKJKOVIDPDHC-AZUAARDMSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccco1)N1CCCCC1 1760192584 KKGUAXTXCZUARQ-FQEVSTJZSA-N 434.544 2.407 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCn1c(C)nc2ccccc21 1760209123 VPOMTLRNUZUVKJ-UHFFFAOYSA-N 429.528 2.335 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCCN(C)S(=O)(=O)CC 1760215458 BEHSAGSYKPDPQP-UHFFFAOYSA-N 431.537 2.219 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1760234106 TYJOELIVUXHITP-IRXDYDNUSA-N 432.546 2.116 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2=CCCCC2)n1 1760253252 XCUJZGRGXNLMEV-HXUWFJFHSA-N 437.548 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)CC)CC1 1760270269 NNPPQSDAFKVJMF-DEOSSOPVSA-N 439.560 2.004 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1760361978 XWOWUMVRNUJCOV-AUSIDOKSSA-N 447.580 2.114 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 1760503381 HLKPRIJSSFBCLG-HXUWFJFHSA-N 435.532 2.317 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCO[C@H](c2ccccc2)C1 1760523997 MQZOZKGGHRECIS-PMACEKPBSA-N 425.533 2.442 30 10 IEEE CC(C)(C)OCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760801113 DSFDXIMMRFILJN-SFHVURJKSA-N 425.537 2.190 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763736509 DYHSHKMRDAPHEQ-MXLIYFDZSA-N 429.569 2.239 30 10 IEEE CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1764547818 AVKOEQBFDRXLQO-HXUWFJFHSA-N 447.543 2.311 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)C[C@H]1O 1767920871 ZMBFYTJRWRLIAZ-QZTJIDSGSA-N 429.546 2.319 30 10 IEEE COc1cccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1768848201 DRXKSFLEQNYDMT-GVDBMIGSSA-N 447.561 2.252 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)N2CCOCC2)cc1OC 1770023021 GEXPDDLJGQLCEY-QGZVFWFLSA-N 440.548 2.423 30 10 IEEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC=C(Br)C2)o1 1770740124 JVZOVPFKBCKHLQ-UHFFFAOYSA-N 431.294 2.402 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CC=CCC2)cc1 1770740489 HJLUMQMQELTTFC-GOSISDBHSA-N 427.530 2.320 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1 1771111916 ANTKSRFBHQRIHB-MRXNPFEDSA-N 437.953 2.248 30 10 IEEE CC[C@H](C)[C@@H](CC(=O)N1CCN(c2nccc(C#N)n2)CC1)N1Cc2ccccc2C1=O 1851176741 XORGSMVPUYEKAJ-LAUBAEHRSA-N 432.528 2.458 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](c2ccccc2C)N2Cc3ccccc3C2=O)NC1=O 1851981026 GLCAVUWZBOURHA-FQEVSTJZSA-N 444.491 2.403 30 10 IEEE Cn1nc(-c2ccccn2)cc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852765769 MMFBLZVKBZQTBF-HXUWFJFHSA-N 447.495 2.290 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1854543987 KLGBKWVOEXNWAP-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CC(Cn4cncn4)C3)CCC2=O)c1 1854955273 NICGAEKISINUDN-MRXNPFEDSA-N 426.908 2.008 30 10 IEEE CCCCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(=O)n(CCC)c1 1861241038 ISNAMUJVWIRKEA-LJQANCHMSA-N 434.581 2.489 30 10 IEEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870386453 PYUUXENQLJGOGP-UHFFFAOYSA-N 438.572 2.068 30 10 IEEE Cc1cc(C)n2[nH]c(=NC(=O)COc3ccc4c(c3)O/C(=C\c3ccco3)C4=O)nc2n1 1871430762 AWOLQSQEQLCZOM-ZDLGFXPLSA-N 431.408 2.390 30 10 IEEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(N3CCOCC3)ncnc21 1873561142 GZQYMUIUYYXEKT-UHFFFAOYSA-N 432.528 2.416 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccn1C 1874332317 FADOEANUVLQOTP-LTNVFZTJSA-N 445.593 2.184 30 10 IEEE C=CC1(NC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993270023 ORHPQYCHLJAXHY-OAQYLSRUSA-N 425.526 2.040 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2010230206 XEDSYVOGGXPHMD-ZACQAIPSSA-N 439.553 2.027 30 10 IEEE CN(C)CCN(CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)C(=O)OC(C)(C)C 2060636982 FLHWVCFLUBPMGL-VQFNDLOPSA-N 437.390 2.336 30 10 IEEE Cc1cnc(N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224118999 CXZRBYRUDIYFBD-INIZCTEOSA-N 435.374 2.353 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CS)C(=O)O 2229106341 TZVWCDUERBDLCX-STQMWFEESA-N 447.351 2.384 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2237386369 JAVJGURIKDLYDZ-NSHDSACASA-N 427.114 2.273 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255654761 CMKOFZCYBWZLHR-LJQANCHMSA-N 427.354 2.379 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255657298 NEJFQXBOQLIJHD-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267132526 QUYODKJTNGTEFS-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 2267146467 KRVXJHIDPZMQDF-GOEBONIOSA-N 448.373 2.187 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267282657 FNMLRPMWLJZBCQ-RDJZCZTQSA-N 449.357 2.068 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267493970 BACFHSKGBYGOMD-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876818 PRXXYTRLQYSEQB-LSDHHAIUSA-N 446.357 2.199 30 10 IEEE O=c1c(Br)c(NN=Cc2ccc(Cl)cc2)cnn1[C@H]1CCS(=O)(=O)C1 2322659793 MGMRJYWDIFAQKZ-LBPRGKRZSA-N 445.726 2.465 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@@H](C)CN1C(=O)OC(C)(C)C 2337201977 BYSDTJHQQMYFME-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343639807 YFBGTEJNVQEGNA-JKSUJKDBSA-N 449.332 2.410 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2366837176 POMIYLBZQABUFF-SWLSCSKDSA-N 439.306 2.478 30 10 IEEE COc1ccc([C@@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@H]2C#N)c(OC)c1OC 72445501 JJOHYEJPJFELPV-ZFWWWQNUSA-N 439.472 2.010 30 10 IEEE C=CCCN1C(=O)[C@@H]2[C@H](c3cc(Cl)cc(Cl)c3Cl)N[C@](CO)(C(=O)O)[C@@H]2C1=O 248246306 QMJUUBCTQRFYRC-XBPIAWKYSA-N 447.702 2.284 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 261406275 XNQPIMPFJPBKPH-UHFFFAOYSA-N 436.516 2.428 30 10 IEEE N#C[C@]1(N)CCC[C@@H](n2cnc(I)c2I)C1 404004748 MSQPMZZHOVTODB-XCBNKYQSSA-N 442.042 2.428 30 10 IEEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1OCCc2sccc21 429911470 SDTHVONMWMNKDN-YWZLYKJASA-N 445.566 2.403 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@H]1CCCO1 461348946 VPHHSMMBRXMBJQ-RHSMWYFYSA-N 444.528 2.355 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 464425635 ICRZDBXPIKTJTM-AWEZNQCLSA-N 433.452 2.378 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 477287435 PDVGDIHKSCCNOB-OPAMFIHVSA-N 425.510 2.273 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCN(c2ccccc2C#N)CC1 478976596 OXYQEDPHXYOXPN-INIZCTEOSA-N 430.505 2.103 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 479040981 HQMQCKMTDSWBBX-QFIPXVFZSA-N 435.503 2.326 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CN2CCCCCC2)C1 481436579 TUBUDQNJVWODQY-ICSRJNTNSA-N 432.590 2.340 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCn2c(nnc2-c2cccnc2)C1 481489577 GJODBHDXRUOQLO-UHFFFAOYSA-N 434.403 2.435 30 10 IEEE CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(c2ccccc2)C1=O 488291240 WAIZLJQKHPBXFU-RTWAWAEBSA-N 431.496 2.106 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CN4CCCc5ccccc54)n3C)CC2)c1C#N 508563794 QQAJMMGSPJJEJR-UHFFFAOYSA-N 431.548 2.008 30 10 IEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508845977 DVCALFKBXAAFFV-JOCHJYFZSA-N 435.576 2.234 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 508887773 KIUXPSRYOCPJFT-AEFFLSMTSA-N 448.593 2.428 30 10 IEEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCN(C2CC2)CC1 508955236 DVKSMGXAANEMTI-UHFFFAOYSA-N 442.589 2.200 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 508958568 BARLUJFHNRLMSR-QFIPXVFZSA-N 443.555 2.377 30 10 IEEE CC1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 509402952 AXNOFBRBNCLCRO-INIZCTEOSA-N 425.938 2.025 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)c1 532756264 NFVBXIJABPIGMJ-KRWDZBQOSA-N 438.549 2.217 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CC1 537161744 WSBVWPAVMJQAJJ-PKTZIBPZSA-N 449.530 2.098 30 10 IEEE Cc1nc(CN2CCC(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)oc1C 544837929 JMLVDIOHRGIZEW-UHFFFAOYSA-N 437.548 2.302 30 10 IEEE C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 544851444 CKMCXVIGEQEHKM-SIKLNZKXSA-N 434.544 2.074 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H](CCCO)c2ccccc2)CC1 610146690 QNWVXEQWRJUYPD-HXUWFJFHSA-N 442.541 2.088 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C2=O 610926963 OVBGDUJXMQWKHV-DWVUQKNYSA-N 441.507 2.035 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cc1C#N 611029937 KHUMJJIWNYUCBD-UHFFFAOYSA-N 439.562 2.025 30 10 IEEE N#CCN1CCC(N2C(=O)N[C@@H](Cc3c[nH]c4cccc(Br)c34)C2=O)CC1 617679622 TWBLVVOZESQHTK-INIZCTEOSA-N 430.306 2.381 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCCO2)C1 619850024 IGWOOEQVRBFYDA-UTKZUKDTSA-N 426.500 2.073 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3OC)c2=O)cn1 735069277 RMLGZSAPZLBWOX-UHFFFAOYSA-N 436.537 2.242 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)/C=C/c1cnccn1)CCCC2 740965675 LXFYQAZVTHESMQ-IWAYRVGRSA-N 435.484 2.403 30 10 IEEE CN(CCOc1cccc(CNc2ccc(S(N)(=O)=O)cc2C#N)c1)C1CCOCC1 742401129 NFENEXIGNBCRAU-UHFFFAOYSA-N 444.557 2.307 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 744947810 GTGTWZPFRLXDDX-HQRMLTQVSA-N 427.501 2.260 30 10 IEEE Cc1cc(C)cc(OC[C@@H]2CN(CN3CCN(c4nccnc4C#N)C[C@@H]3C)C(=O)O2)c1 758350785 GOINRQIGXPLJLG-ICSRJNTNSA-N 436.516 2.333 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](Cc3ccccn3)C(=O)OCC)ccc2c1=O 760630446 YWNNQZASOFBSQK-GOSISDBHSA-N 438.509 2.170 30 10 IEEE COc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2OC)c(NS(=O)(=O)C(F)F)c1 761524791 KJCJFRSLQXESLW-UHFFFAOYSA-N 448.425 2.307 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccnn2)C1=O 766420510 SGRPVJPRNHGREU-KRWDZBQOSA-N 446.964 2.330 30 10 IEEE CCOC(=O)CON=C(C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21)c1cc[nH]n1 772588079 QFDDJRDMAAHXCH-PVAVHDDUSA-N 448.520 2.195 30 10 IEEE COC(=O)N1CCC[C@H]([C@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 773059617 AGKGFQQPSMZHMD-AAEUAGOBSA-N 430.324 2.466 30 10 IEEE C#CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774236786 YRNBIYAYPUKYCV-ROUUACIJSA-N 435.546 2.084 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](OC(F)F)C1 781416558 VZOIMFKJMNEWIH-HIFRSBDPSA-N 429.489 2.370 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(OC(F)(F)F)c3)c2=O)cn1 783960355 ZLFQWRYLXBSXHP-UHFFFAOYSA-N 445.426 2.431 30 10 IEEE Cc1nc(-c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)s2)cs1 785568709 XMKCYMAZSZSSPB-UHFFFAOYSA-N 426.527 2.291 30 10 IEEE C=CCn1c(CCN2CCCCC2)nn(CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1=S 794682095 DMIBAHLXZQQOIQ-PGRDOPGGSA-N 449.621 2.097 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cnn(CC)c2)C1 797815303 OZUZHQWKYUZDCU-COXVUDFISA-N 447.561 2.235 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 798799135 REPUVVDONIRYSO-UHFFFAOYSA-N 442.428 2.082 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)NS(=O)(=O)c3cncc(Br)c3)n2)c1 798820590 KKNKCLVWZUXSOU-UHFFFAOYSA-N 432.259 2.020 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1)c1ccc(Cl)cc1 810473465 CIPCNTAWGSCFFA-QGZVFWFLSA-N 435.871 2.362 30 10 IEEE Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 916896391 GBBBXPYMKXZNFD-FUHWJXTLSA-N 444.513 2.348 30 10 IEEE COC(=O)N[C@@H](CC(C)C)C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 920345013 YZYNTUDWFLNMQZ-IBGZPJMESA-N 426.521 2.454 30 10 IEEE CN(CC(=O)Nc1cc(Cl)ccc1C#N)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921191547 BAWNJOGOXZOVPF-UHFFFAOYSA-N 449.939 2.161 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)c(OC)c3)n2)cc1 1084083903 UBFUQRTZPQBOBE-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)cc2C1=O 1142328683 YPOGWLQPJBYBPA-UHFFFAOYSA-N 433.508 2.226 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C1CCN(C)CC1 1156646398 GJBYNNPPZMGACU-UHFFFAOYSA-N 431.583 2.396 30 10 IEEE Cc1ccc(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1157185802 PLZVTJWVHAHMDK-UHFFFAOYSA-N 426.244 2.141 30 10 IEEE CN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)[C@@H]1CCC[C@@H]1C#N 1175250369 RWULRKVGUMZEOV-UYAOXDASSA-N 430.574 2.374 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCN3C3CCOCC3)C2)C1 1178942674 XUJAXRFGSSMCHS-WTWLLKEWSA-N 432.565 2.143 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)NCc1c(Br)cncc1Br 1190510167 GTDJMVIQEARJPN-MRVPVSSYSA-N 426.134 2.175 30 10 IEEE CCn1c(CN2CCO[C@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1198211506 XMLRMGVZXAFLLQ-OAQYLSRUSA-N 431.562 2.345 30 10 IEEE CC(C)(CC#N)CNC(=O)NC[C@H](O)COc1ccc(I)cc1 1251776827 KNDQYXFOVQKCEK-ZDUSSCGKSA-N 431.274 2.270 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2c[nH]nc2C#N)c1 1280488663 DFBHQJHRVOQFCE-UHFFFAOYSA-N 426.296 2.327 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1286277562 ZWJJKKKIJBORFZ-UUOWRZLLSA-N 439.560 2.379 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1286350270 YFRGXYWZXOZCEN-SFHVURJKSA-N 428.558 2.082 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286471255 IEPDDDIAHDHSID-SFHVURJKSA-N 429.590 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cc(OC)ccc2OC)CC1 1286486797 PLFGLCWRLYAQOQ-UHFFFAOYSA-N 425.533 2.433 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1286508618 NQOGXKFAEYIMJH-UHFFFAOYSA-N 426.590 2.281 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)OC)C1 1286536069 NAZOUABKJMSYRW-UONOGXRCSA-N 431.331 2.300 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1286638055 SWTDXUGTNCRHBC-ROUUACIJSA-N 448.593 2.475 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCC1CCOCC1 1288815785 AFKNYSHRICLCAM-MRXNPFEDSA-N 438.598 2.225 30 10 IEEE CCn1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)c1=O 1295954816 FXVODOLMDKUFIG-GUDVDZBRSA-N 440.548 2.155 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1298326896 DKOUFJWGEMVOHQ-QGZVFWFLSA-N 442.570 2.387 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@](C)(O)CC)c1 1300334272 JYUFPDULWNDCMN-DEOSSOPVSA-N 432.528 2.481 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)SC)c1 1300336297 CICPOLVCFNDXSS-MRXNPFEDSA-N 440.573 2.208 30 10 IEEE C#CCCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424855 NNKIVIXEIORJRL-CVDCTZTESA-N 431.581 2.473 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300443824 OCWXBHQYZGCRAJ-LJQANCHMSA-N 427.516 2.387 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300481826 BVQXMFMPAVASLL-NJZAAPMLSA-N 438.351 2.243 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1300497071 XEFIDNDVMAEQHF-NHCUHLMSSA-N 440.569 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCOC(F)(F)F 1300544961 IYJGHVGKCQVBIV-UHFFFAOYSA-N 425.436 2.269 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1300609036 IBZPNPKPCOZTKS-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1301330350 LAZAJPNHGLMAAP-FQEVSTJZSA-N 436.965 2.227 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1301519733 XNKPCEZRSHQBAY-FQEVSTJZSA-N 435.532 2.397 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)O)C1 1301534823 FCHUHXFVZDKLEG-QGZVFWFLSA-N 433.940 2.414 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(Cl)c1 1302095089 CIZUCINSWUMZMT-QAPCUYQASA-N 435.912 2.463 30 10 IEEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)s1 1304640428 HVSJPRVRQRQJSK-UHFFFAOYSA-N 430.559 2.419 30 10 IEEE CN(C(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1314618788 ACOCGHYQRMKWAC-JOCHJYFZSA-N 425.512 2.497 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315877066 BWTHTLXBUBVKQK-QQMHEVNUSA-N 439.520 2.053 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1316144228 UFRCDPDLDCVSPC-UHFFFAOYSA-N 434.500 2.437 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1316264947 PBNQRALRTRZMEQ-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(C)C)C1 1359092328 ZMZUTVOSQROASD-MLHJIOFPSA-N 425.599 2.352 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1359123328 ZFYJAFOLSXCDBF-QFIPXVFZSA-N 448.571 2.402 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@H](F)C2)CC1 1359178903 GEVOIPFJYBGOFD-BZSNNMDCSA-N 441.573 2.152 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC1CCOCC1 1359295936 RPSBXCMZIJKTTH-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1359312642 YNSXAKDTEVGHTD-VGOFRKELSA-N 431.537 2.315 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N2CCOCC2)C1 1359316160 JHFQEPNDFFDSJH-GHTZIAJQSA-N 427.549 2.456 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1359318666 JMVCEZSYVULUBP-RTWAWAEBSA-N 426.565 2.478 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1359319719 DYQCKMQZKREAOC-IEBWSBKVSA-N 426.521 2.492 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1359570514 FRBZVUFCHPSJGF-MRXNPFEDSA-N 427.509 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)CSCc3ccc(C#N)cc3)nn2)C1 1439148834 STAGQLXGJRRHGR-UHFFFAOYSA-N 442.545 2.491 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 1440580613 AKEGPOUQGIISKB-QGZVFWFLSA-N 448.545 2.402 30 10 IEEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1443618744 KJKYBHVOFXLFDZ-NHCUHLMSSA-N 432.480 2.187 30 10 IEEE C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1446653090 YVKIFFPJULMPIA-HUUCEWRRSA-N 437.518 2.340 30 10 IEEE C#CC[C@@]1(C(=O)OCCCn2nc3ccccn3c2=O)CCCN1C(=O)OC(C)(C)C 1456727834 NXARLZREGNMMMJ-QFIPXVFZSA-N 428.489 2.222 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)c1 1457022260 CFJHRPGQDGCUMU-RYQLBKOJSA-N 447.557 2.116 30 10 IEEE N#CC1(C[C@@H](O)CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCOCC1 1459433925 MLUPMYADXOTDJF-OAHLLOKOSA-N 448.010 2.169 30 10 IEEE Cc1ccc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1S(=O)(=O)N(C)C 1460600559 ATCDTRRJVVEVFU-JOCHJYFZSA-N 441.557 2.136 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N(CC#N)c2ccccn2)C1=O 1461245321 GFMXIZQZDIRBRB-IBGZPJMESA-N 442.273 2.168 30 10 IEEE C[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1463875834 YWPQSQNCVIVYRZ-HNAYVOBHSA-N 434.512 2.210 30 10 IEEE CC(C)(C#N)c1ccc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1469868268 BWDQRJDZXOELSM-UHFFFAOYSA-N 426.542 2.280 30 10 IEEE C#CC1(O)CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 1470366139 LMRGCTJZGJPJCL-GOSISDBHSA-N 444.532 2.342 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)CC1 1476456587 FPXHAAQOKFJGAS-UHFFFAOYSA-N 440.953 2.279 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C1)C2 1479157551 DDMDULFOWKIMCK-JZXOWHBKSA-N 427.448 2.177 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1505082820 MVGCVOMDGJWJLP-RCBQFDQVSA-N 441.410 2.283 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507571734 LIXVYJUJQDOXAR-AABGKKOBSA-N 431.581 2.499 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507573790 JDQSPAIDNZNOJW-GCJKJVERSA-N 444.536 2.392 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507631440 PPIIPCVPKCWTCB-HXUWFJFHSA-N 444.605 2.086 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)CC1 1507724428 PARCWGDCOKXHOX-UHFFFAOYSA-N 448.575 2.028 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1507807377 VKNAEWAMNVMQDX-RXVVDRJESA-N 442.539 2.451 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1507832251 VZSGNQKOZYUBEB-SFHVURJKSA-N 437.541 2.353 30 10 IEEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507926215 CHSGSAQLYUJBDJ-UHFFFAOYSA-N 440.548 2.474 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1507992295 AVTNXCZACNXXGK-HUUCEWRRSA-N 447.527 2.219 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1508035989 IEPSGITTYMCNQD-ROUUACIJSA-N 425.599 2.245 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1508093259 BOTNDTBZZCIBKQ-HXUWFJFHSA-N 449.559 2.449 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508162300 MWMIUMUTSLIODX-UYAOXDASSA-N 428.606 2.340 30 10 IEEE CC(C)C(=O)NCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1508803700 AXHOISWPZYLTCU-UHFFFAOYSA-N 438.580 2.331 30 10 IEEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@H](C(F)(F)F)O1 1512498643 HJMBITYMEWRZNR-SWLSCSKDSA-N 438.410 2.069 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCc1ccccc1 1513925823 XXTZYYJMJNOGNL-SFHVURJKSA-N 432.532 2.434 30 10 IEEE CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514819114 QBBPBHNPHLPAKI-QZTJIDSGSA-N 445.568 2.173 30 10 IEEE CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1520669318 CGTYBDLKMCQJGF-MRXNPFEDSA-N 428.920 2.424 30 10 IEEE O=C1C=COC2(CCN(C(=O)[C@@H]3CC(=O)N(CCOc4ccccc4Cl)C3)CC2)C1 1538582618 HTJYRGPZBVCOTR-MRXNPFEDSA-N 432.904 2.432 30 10 IEEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1539126551 YBHLMPZUVMWDMW-SFHVURJKSA-N 439.626 2.157 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1539230942 MTXPBUDWMBBWLO-UHFFFAOYSA-N 447.543 2.165 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC1(F)F 1539295635 DHWDQTCQPIGNDO-JKSUJKDBSA-N 427.521 2.177 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(O)cc1 1539416200 LTNFCXBOPVMZFK-UHFFFAOYSA-N 447.543 2.292 30 10 IEEE Cn1nc(I)cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1540582114 DKQNCVBAIIQTHK-UHFFFAOYSA-N 449.296 2.244 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1541280545 HJEQXSMOBRIFPD-XMMPIXPASA-N 449.559 2.036 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541803201 DRHKFGKCPZABRU-SJLPKXTDSA-N 446.577 2.209 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1544785383 CNPBBBBGVHVDGY-CQSZACIVSA-N 441.937 2.289 30 10 IEEE CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1547018631 CWVMRZLSDRTFLA-MAUKXSAKSA-N 432.550 2.138 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccccc3OC)nnc2N2CC[C@](F)(C#N)C2)C1 1548042659 HLLAAAIXAYCZMY-QJVIICBYSA-N 445.495 2.238 30 10 IEEE COC1(C(F)(F)Cn2c(C(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1554675371 BRRQVOPJMFERCH-KRWDZBQOSA-N 438.523 2.409 30 10 IEEE COC(=O)C(C)(C)c1csc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1556740115 KQQZRMOFECCXNJ-UHFFFAOYSA-N 425.463 2.282 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(n3cc(C(=O)OCC)cn3)CC2)c1 1561580519 KBNCFJJRQKBBIT-UHFFFAOYSA-N 446.529 2.001 30 10 IEEE CCOC(=O)c1c(NC(=O)NCCc2ccccc2C(=O)OC)c(C#N)cn1CCOC 1562590948 DLMAVPWLPWASAQ-UHFFFAOYSA-N 442.472 2.334 30 10 IEEE C=CC(C)(C)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1569012955 VKAIKVVWEGXXLO-OAHLLOKOSA-N 445.379 2.311 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)c3ccccn3)CC2)cc1 1585099910 QVXQCRJHMOTMOC-UHFFFAOYSA-N 428.514 2.438 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1585100713 HYMDQKVLGJETLV-SJLPKXTDSA-N 432.569 2.434 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1588012055 UAMQIMMGRQEOKH-HXUWFJFHSA-N 435.576 2.072 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1589162206 CBXHRTWKMPLYRK-PKTZIBPZSA-N 441.532 2.334 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1594820205 XIFSFFIYFDURFW-KRWDZBQOSA-N 433.503 2.261 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@@](C)=O)CC1 1595283597 UUOZGUIQUYBGSE-SSEXGKCCSA-N 432.546 2.266 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1596806096 CPYDMQKIRSTLMJ-HNNXBMFYSA-N 445.545 2.137 30 10 IEEE COC(=O)C1(CCCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1603228774 MWBNRYJLYHRXGM-UHFFFAOYSA-N 435.546 2.135 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612863877 XTXSJTGAXLRBGQ-MSVBSMQLSA-N 440.479 2.369 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCS1 1614261349 AQHWJSGYVCVJGY-RBUKOAKNSA-N 429.546 2.476 30 10 IEEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c1 1617071371 CDXXNJPJEXEXIZ-UHFFFAOYSA-N 438.513 2.479 30 10 IEEE Cn1cccc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1618443473 JHLKTMJCWSDXDR-SHUBJWRZSA-N 445.474 2.292 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)n[nH]2)c1C 1624437598 JXDFHXJXYLNKEN-OAHLLOKOSA-N 432.525 2.034 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@]3(N4CCOCC4)CCSC3)n[nH]2)c1C 1625586558 LMDQZVZVVJGLSM-OAQYLSRUSA-N 430.578 2.014 30 10 IEEE CNc1ccc(C#N)cc1NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1626028925 FSDWQAVZNHYOIL-UHFFFAOYSA-N 434.543 2.307 30 10 IEEE CC[C@H](C#N)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1629364817 NEJJDHNCMRZAML-YDRQLGOLSA-N 433.486 2.415 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1ccccc1C(F)(F)F 1635672078 CABKEOKYMHTQBV-YVEFUNNKSA-N 441.431 2.094 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)C1 1638075590 SOMDBEYDVSNXIW-GOSISDBHSA-N 436.541 2.287 30 10 IEEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1638698967 HIGQCEXRPGNIPE-OAHLLOKOSA-N 427.530 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)CC1 1639450203 ZYRFJLKXXJPLMX-UHFFFAOYSA-N 444.463 2.471 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2cncnc2[C@@H](C)C1 1643405342 SOJUMODFTSGYSI-YOEHRIQHSA-N 427.530 2.076 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)C2=O 1645084945 GNOMBYFJLLWRND-BISSLNBESA-N 438.532 2.247 30 10 IEEE C#C[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C1CCOCC1 1645988364 ZSGIIJHEQPEZIU-ROUUACIJSA-N 431.537 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1647977033 GQNWVRQJQYQSET-UHFFFAOYSA-N 437.493 2.206 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)C1 1653714141 IBQNCXVHQJEUSZ-UHFFFAOYSA-N 428.508 2.492 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)(C)CN3CCCC3)nnc12 1654630642 GLNUASSIQHHRSE-UHFFFAOYSA-N 440.573 2.313 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@](O)(CN(C)C)C2)cc1 1654872086 IUYBCTRUTMKYCK-DEOSSOPVSA-N 439.560 2.301 30 10 IEEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1658966037 DPHLQAITCJKIDB-WOJBJXKFSA-N 429.498 2.379 30 10 IEEE C#CCN(C(=O)NCCCc1nnnn1C)[C@H]1CCOc2ccc(Br)cc21 1676722096 AYAVEKWLIMUDLW-HNNXBMFYSA-N 433.310 2.074 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCC1 1689835756 RXJJLBUHKFQXQN-SFHVURJKSA-N 444.605 2.139 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689910643 MRWZVBCMPRETCS-SFHVURJKSA-N 429.546 2.184 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1690060595 BXSWGSCKUHJDNO-JTAQYXEDSA-N 433.597 2.278 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC(O)CC1 1690071338 SBHRSSATSHLOGA-UHFFFAOYSA-N 433.560 2.437 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1690604117 PKPLJLXFXDGVMD-HXUWFJFHSA-N 445.527 2.007 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1690681465 QSKWCAJUIFXEEN-XMMPIXPASA-N 449.559 2.455 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1691006815 QKDDXEVQNZWXHL-QZTJIDSGSA-N 447.584 2.278 30 10 IEEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1692425275 CXPPZVDYFGKXRW-NRFANRHFSA-N 429.546 2.400 30 10 IEEE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 1696589152 RNKPMUAQJLNYAX-GOSISDBHSA-N 434.342 2.264 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)cn1 1696863832 XISMHUDKGYZKNL-KNQAVFIVSA-N 426.569 2.046 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1696898377 LFFOWHTWWUPENV-JOCHJYFZSA-N 432.569 2.221 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1698023980 DTRRHHNQBDLHCD-DENIHFKCSA-N 437.592 2.458 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1698484570 SINMJWSDYKJUHA-HYFFOGBASA-N 444.486 2.097 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2CCOCC2)c1 1705505834 UQKRYUMEEHCSRZ-UHFFFAOYSA-N 433.516 2.161 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1705520961 LZTWPUWQJHERMD-IBGZPJMESA-N 425.533 2.190 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705538158 DKLBIXDUIYUHJJ-UHFFFAOYSA-N 442.589 2.378 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(OC)CCOC1 1705618517 JZFCNPDGGSHEDN-QHCPKHFHSA-N 441.507 2.099 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)C1CC1 1705622659 OWFPHPAULQCFNQ-IBGZPJMESA-N 436.354 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(C)coc2C)CC1 1705648319 QXORQAGZTOFWEC-LJQANCHMSA-N 425.533 2.396 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1705655954 SGNBNUSEFDPNBQ-UHFFFAOYSA-N 434.587 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1705899812 HOWJQJMTYFCJBP-LJQANCHMSA-N 440.454 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C1 1705901074 ZSMLSEGZRBYDJZ-INIZCTEOSA-N 435.532 2.384 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)C)CC1 1705904470 QCMCTTHSAYCTEM-FQEVSTJZSA-N 441.532 2.487 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1705905127 KKFXSJZTHYEPNF-HXOBKFHXSA-N 443.523 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705939228 VBSZDOKQPIIFTG-GASCZTMLSA-N 439.582 2.248 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1722293141 KUSQIHBXZDWFIP-ZYSBOAIWSA-N 440.573 2.462 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722334526 GXWICYHGFQVZOV-QFIPXVFZSA-N 434.588 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1CCCO 1722376748 BPHCWWPFRYXNIM-OAQYLSRUSA-N 428.540 2.413 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN(C)C(=O)OC(C)(C)C 1722387340 UCXZFLTYFBBLLX-UHFFFAOYSA-N 425.537 2.079 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](CO)O1 1722527019 VNAKCUOIBXSWOA-DLBZAZTESA-N 448.593 2.181 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722691363 UDLPRISYMLYYRP-OYNPSCLESA-N 444.624 2.372 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1722699272 FFAQYHGICHMWMD-UHFFFAOYSA-N 425.512 2.297 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1722703083 VQGFUHCPKGRYJU-HNNXBMFYSA-N 445.593 2.227 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@](C)(CC)C2)nnc1[C@]1(OCC)CCOC1 1722731494 MHWCWDDANQIBQI-PMACEKPBSA-N 426.583 2.157 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccccc1COC 1727602663 GBLALXNIRHJPFS-UHFFFAOYSA-N 434.548 2.275 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1729999206 DYLLBDTUHPDYTI-HZPDHXFCSA-N 433.896 2.141 30 10 IEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)cn1 1730770929 FGNRCXFZRKGJLA-UHFFFAOYSA-N 431.504 2.041 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC)c(O)c1 1730945377 DWHUCLGJEJBYOI-XERREHJYSA-N 431.468 2.207 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)nc2)c1 1740564721 VSKIXODTDMSEIJ-IBGZPJMESA-N 446.511 2.290 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740577758 OLOQGKUHHMWQGV-MRXNPFEDSA-N 449.602 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740636884 HHBLKYIDYUZBRK-IEBWSBKVSA-N 435.532 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740637260 WBLLMPDPTCUGFG-QHCPKHFHSA-N 443.555 2.133 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1740669245 STDKVDDCCXNVBG-SFHVURJKSA-N 433.560 2.476 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1740671748 NQFOKBJVEYNGDP-WOJBJXKFSA-N 429.590 2.251 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(C)(C)C)nc1 1740688380 PNCPZFJDRPASPH-UHFFFAOYSA-N 440.548 2.107 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[S@](=O)CC)CC1 1740689898 DXKOFSQMUXHZBA-NOVUIFNWSA-N 433.553 2.081 30 10 IEEE C=C(C)Cn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740785974 KWMNNCUJDLWRAG-HTAPYJJXSA-N 445.568 2.469 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1740900000 KVNSTLWJVIVLHY-IRXDYDNUSA-N 437.541 2.014 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740964383 OCSOFINLVOSIME-RBUKOAKNSA-N 426.565 2.387 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCN(C)CC2)C1 1740970188 GRTKZFJNAIBRNC-SFHVURJKSA-N 448.637 2.123 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741806071 KPTXATGKCJGFGH-HBLJDGLJSA-N 448.568 2.327 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C 1743196595 DHGFXZNFBBKDFX-QFBILLFUSA-N 433.516 2.380 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCO1 1747425486 JEHZHAMTTPIUTN-LJQANCHMSA-N 446.577 2.104 30 10 IEEE CN(CC1CCCCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747837186 UDAMSGFLFDGQHH-XUTLUUPISA-N 436.520 2.278 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1nnc(C)s1 1748830455 WPTCALXNCFYXFY-OAQYLSRUSA-N 428.562 2.184 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CCOC)CC1 1748886222 AVISFQOBXVNVRT-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N(C)C)CCCCC2)CC1 1748971400 NXCCJPDBPDZZQE-UHFFFAOYSA-N 443.640 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N2CCC(C)CC2)CC1 1749009924 XNQSXQOKIYADOK-IBGZPJMESA-N 437.592 2.359 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749049721 PLTDGGYYNSXQJE-RADWXHQJSA-N 431.606 2.280 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1749072547 RHMSIEDHFRTONO-RUZDIDTESA-N 436.604 2.406 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1749211431 YIWZQMRVLLWOBJ-SFHVURJKSA-N 426.521 2.160 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1CCCO 1760101783 BFLFVFNPPHYGSO-HKUYNNGSSA-N 427.549 2.267 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1760138587 BVYPNEBDWVISNQ-UHFFFAOYSA-N 437.516 2.032 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760140613 SPVROCUQBVQQCI-HXUWFJFHSA-N 446.559 2.465 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)CC(F)(F)F 1760229815 GYUOCCWPQCHONX-UHFFFAOYSA-N 447.469 2.265 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2cccc(C)c2)CC1 1760269260 CIIDNZQOOLCGBR-HXUWFJFHSA-N 437.544 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ncnn2-c2ccccc2)CC1 1760270625 SVRHEVONICXYFW-UHFFFAOYSA-N 446.559 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccncc2Cl)CC1 1760272023 WGZWGWUJPSXGPH-UHFFFAOYSA-N 449.946 2.326 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1760386666 FUKQGTRITLREMN-NRFANRHFSA-N 443.939 2.276 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760448520 FWCJXCNHHLCIRC-UHFFFAOYSA-N 436.564 2.379 30 10 IEEE C=CCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513374 WCXIHJLZHSSXDJ-KKSFZXQISA-N 431.541 2.079 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](OC)C(C)(C)C1 1760527784 IOMOZJNVKNTEKF-SFHVURJKSA-N 429.521 2.029 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1760532140 LYJAITJAOXRGLX-SFHVURJKSA-N 441.532 2.419 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 1760535602 UHWZZZIBBGMWSA-QGZVFWFLSA-N 430.553 2.438 30 10 IEEE CC(C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760819972 HQLLKFHDSAGHRE-UHFFFAOYSA-N 435.507 2.372 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCS1 1763089015 CTWYJMCTHJSAHQ-RDJZCZTQSA-N 446.602 2.040 30 10 IEEE CO[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769563337 WQOFXFZNRNORNJ-BBRMVZONSA-N 448.369 2.258 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1770138493 ORPBXGZBGMHKSE-UHFFFAOYSA-N 442.520 2.148 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1Cl 1850576894 YNMSVFIHUKSDDJ-INIZCTEOSA-N 439.903 2.317 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(Cl)cc1 1852592942 WPLZWVRUWITPCA-CYBMUJFWSA-N 432.937 2.334 30 10 IEEE N#Cc1cc2c(cc1CC(=O)OCCN(Cc1ccccc1)C(=O)c1cnc[nH]1)OCO2 1852863127 WBOCZHPIGVTKJG-UHFFFAOYSA-N 432.436 2.438 30 10 IEEE Cc1nc(C(=O)N2CCC3(CC2)CCS(=O)(=O)C3)c(C#N)c(C)c1Br 1852985318 OGXTZMURWHYPDS-UHFFFAOYSA-N 426.336 2.374 30 10 IEEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 1854558079 DHGSKKCHHZMOQR-UYAOXDASSA-N 433.574 2.499 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2(C)C)cc1 1854600029 YLXNWXNLXBAKNO-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC(F)(F)F)C3)CC2)cc1 1855633731 LYYJAXRSYALDKJ-HNNXBMFYSA-N 443.447 2.286 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CN(C(=O)C3CCCC3)C(=O)O2)CC1 1856388157 PWWVBWUBXSFXIM-SFHVURJKSA-N 431.514 2.497 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(=O)O)cc1 1862414963 MGLPEKSRNYPFAL-SFHVURJKSA-N 444.390 2.377 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862609528 PAMGUPJFSNBKTP-BLVKFPJESA-N 440.408 2.325 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862629910 HUHVMMWIHCAAFL-IBGZPJMESA-N 439.424 2.463 30 10 IEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1870156252 CVRDQWBHIDZUIU-UHFFFAOYSA-N 436.344 2.166 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc[nH]1 1874433719 UUNXRSWSLPDGOK-AUEPDCJTSA-N 425.518 2.472 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1963795277 MEVGHTHEFFIRFN-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1988055348 NIQWZWZUEFHPSN-BFHYXJOUSA-N 427.498 2.035 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)C2(C#N)CCOCC2)C1 2006307581 HPBWSZYWICCPIO-UHFFFAOYSA-N 429.517 2.317 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2010126186 XONYADGWACKJJQ-YCRPNKLZSA-N 440.541 2.062 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2010228488 ZVMREWYZVGFVEL-YVSFHVDLSA-N 439.553 2.074 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060633898 STEMOJABSFJJLO-KGLIPLIRSA-N 436.293 2.062 30 10 IEEE COC1(CCNS(=O)(=O)c2ccc(C#N)s2)CN(C(=O)OCc2ccccc2)C1 2118162660 LAGYBPISKCHGDS-UHFFFAOYSA-N 435.527 2.326 30 10 IEEE COC(=O)C1(Nc2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2232309741 MOSROKXSMSWIGF-UHFFFAOYSA-N 447.341 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(c3ncccc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2232325169 GDIYZCTXOCGUCX-UHFFFAOYSA-N 444.385 2.122 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831876 GCFABHUYDRHPJM-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N(O)CCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2248406073 YLABSMGEFHLGIO-UHFFFAOYSA-N 441.721 2.411 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@@H]2CCOC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255540930 UMASHJIIRQWVOQ-GOSISDBHSA-N 425.338 2.459 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627939 ARGOBXOOBYKRII-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628397 HQGGGLANSBZCRX-KGLIPLIRSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255701577 SYYMDUXBOLFGOW-LSDHHAIUSA-N 437.321 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255874190 KIPBQWPHRLDPLJ-UHFFFAOYSA-N 435.305 2.070 30 10 IEEE CN(C[C@@H](O)CN(C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2256022506 LUMQTABPHLQPID-INIZCTEOSA-N 435.374 2.232 30 10 IEEE Cn1nc(C(=O)N(CCC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2256917266 RXMLTZFMXQUENC-UHFFFAOYSA-N 447.728 2.490 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258229001 GVKKBXFKOKEQME-GFCCVEGCSA-N 430.232 2.252 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267136693 HQXYSHXMEKPPPS-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267171411 JQXSVNJVSVRMTO-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267185713 ZLCZZKJQPHIPNM-SHTZXODSSA-N 448.373 2.285 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2267187416 YGWJMDPGOUXFDF-MRXNPFEDSA-N 435.337 2.455 30 10 IEEE Cn1nc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267548340 FTJAUTYNEQGJKD-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267592831 PCTDQAOLUKDLAP-MSOLQXFVSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267607838 BOJNUGHUMMMUMY-GJZGRUSLSA-N 446.357 2.197 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873323 XSKXVOGCGFHLDC-GASCZTMLSA-N 446.357 2.246 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268656299 VQHIUBFSUIITRQ-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)co2)OC1(C)C 2269022933 SNKILRHPKFEFTB-UHFFFAOYSA-N 441.289 2.322 30 10 IEEE CN(Cc1c(Br)nnn1C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280789964 BIWGNDUTKGLEDA-UHFFFAOYSA-N 426.099 2.047 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2296271039 CEZORBYPPLVXHL-FGTMMUONSA-N 439.350 2.385 30 10 IEEE COC(=O)[C@@H](CCNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2298379293 VJQNPEJLJMDHOS-MGPQQGTHSA-N 426.319 2.041 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315539109 RUDQKGZOPDWSOT-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C(\C)c2ccccn2)n1N 21324838 FLONPYHKOYESCQ-YDZHTSKRSA-N 426.506 2.353 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CC)CCC(=O)OCC)C2=O)cc1 96573478 FJRXWBQGVFZXEU-HSZRJFAPSA-N 445.516 2.210 30 10 IEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2CCOCCO)c1 102556912 SBUHKBBVMCMBFF-LYHOESIGSA-N 433.482 2.196 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)c(OC)c1 103113016 HFXPEODAEOJKGG-LYHOESIGSA-N 428.397 2.026 30 10 IEEE CN(CC/C(N)=N/O)C(=O)c1cc(Br)ccc1I 234303634 NHLGUTSRNFACSM-UHFFFAOYSA-N 426.052 2.262 30 10 IEEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 435158598 LMRPWAOXWSFPMU-JTQLQIEISA-N 445.444 2.364 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3cnn4cc(Br)cnc34)CC2)c1C#N 461186122 BGWFDOOONSAORX-UHFFFAOYSA-N 432.307 2.091 30 10 IEEE CSc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2=O)cc1 465183604 JJIJAJOLYURYFT-CVEARBPZSA-N 436.541 2.160 30 10 IEEE Cn1cc(C#N)cc1C(=O)NCCCCN(CC(F)(F)F)C(=O)c1cc(C#N)cn1C 468127121 QVJCCWWEWDDWRD-UHFFFAOYSA-N 434.422 2.322 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC(C)(C#N)CC1 506042831 ZAEOEMNDEBYJQQ-UHFFFAOYSA-N 434.562 2.434 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@H]1c1ccc(Cl)cc1 509138623 MBKSUMBAOLOKCR-AZUAARDMSA-N 438.919 2.410 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CC1 520083969 GOUVHKVMGAJROZ-UHFFFAOYSA-N 433.424 2.028 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)cs1 524337293 AVTGNFHUHZMMIQ-UHFFFAOYSA-N 436.562 2.185 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 524349930 MIYCKJVYBJUQMD-UHFFFAOYSA-N 444.582 2.048 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 549685389 KBKQJNGBZFXLRZ-SFHVURJKSA-N 439.516 2.325 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCOC1 550092611 CKGXPCVXTHUENS-ZBFHGGJFSA-N 431.566 2.179 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)CC1 610163160 AMSKZEUYNZSYRC-UHFFFAOYSA-N 436.497 2.282 30 10 IEEE C=CCc1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc(OC)c1OC 682388722 XQTWXOYJFFEDSR-UHFFFAOYSA-N 445.541 2.042 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669444 PNOPIMDDLIJMNH-UHFFFAOYSA-N 430.464 2.417 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCN1C1CC1 732668870 BBAHSEWZKVLPCC-IBGZPJMESA-N 428.489 2.439 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 748488089 STGCOXDBSADTIV-UHFFFAOYSA-N 434.495 2.085 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC=CC2)c1 759695681 ARGGKRZQKRLSQM-IBGZPJMESA-N 443.573 2.363 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C)c(C)c2)C1 760296933 SFOMDXVZTCNXQK-DLBZAZTESA-N 431.562 2.175 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)CNC(=O)c2cccnc2)n(Cc2ccccc2)c1C 767616165 UQBBAKNXPMTQIO-UHFFFAOYSA-N 445.479 2.332 30 10 IEEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 780180516 RSTVNIXVIWNWQI-PXAQALGRSA-N 446.500 2.478 30 10 IEEE CN(C(=O)COC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C1(C#N)CCCCC1 780255727 MRRAVMYKLHOCNF-QHCPKHFHSA-N 443.500 2.300 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780856885 ZSTYEIXTPWBHMS-OAQYLSRUSA-N 427.526 2.248 30 10 IEEE CCc1cnccc1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 781264473 LMDSCWKCTOTCJL-UHFFFAOYSA-N 435.440 2.269 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCOC(F)(F)F)C1=O 788795806 QWXVWXYJCZAFBJ-CQSZACIVSA-N 432.468 2.222 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 789253017 TWNAQXDBERXHPQ-ROUUACIJSA-N 433.553 2.462 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 800780027 HSSYFWFLPLYFLM-JTSKRJEESA-N 427.505 2.275 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 802474999 XKNURDXDTUWKAS-SFHVURJKSA-N 426.521 2.116 30 10 IEEE COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 802506974 RFOSKQJFZXVXGE-UHFFFAOYSA-N 449.515 2.202 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CCOCc3ccc(C#N)cc3)C2=O)cc1 808465304 WPDLRNNKYKTKMD-DEOSSOPVSA-N 434.496 2.309 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 812754446 QVLSANAFCMDXQT-QGZVFWFLSA-N 448.476 2.323 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)CCCN1C(=O)OC(C)(C)C 856711604 ZVEPBHIXGLBQBN-PKTZIBPZSA-N 446.548 2.321 30 10 IEEE CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256519 LGMJVTKPIHBPRP-UHFFFAOYSA-N 449.939 2.161 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)cn1 1084507553 GABPDFJFXAXTCI-UHFFFAOYSA-N 447.956 2.277 30 10 IEEE CN(CCN1CCOC(C)(C)C1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1139732764 RJZWCUQEQCBNFG-OTQYULQBSA-N 434.581 2.342 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCN(c3cnccc3C#N)CC2)cs1 1160051434 LCDTUPUKOLZYQU-UHFFFAOYSA-N 442.545 2.326 30 10 IEEE C#CCN1CCC(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1178207053 GAFVTKFCFGYRIN-UHFFFAOYSA-N 442.497 2.223 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1178460357 HYEHVOXHYSHEDN-SFHVURJKSA-N 428.514 2.090 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2nnc(S)n2C2CC2)C1 1182687947 HMCMXASIBHIMLF-UHFFFAOYSA-N 447.362 2.331 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1286335890 TZQRJDNCQIJMKQ-QHCPKHFHSA-N 431.581 2.428 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286390029 VKOFVXUICRRPBR-CMKODMSKSA-N 433.622 2.293 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@@H]2C1)c1ccccc1 1286678468 XNCRGPCTBUJSKD-SFTDATJTSA-N 438.576 2.297 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C)c(C)s2)C1 1286812783 OQGPJNGZXUOXSH-KRWDZBQOSA-N 430.578 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCOCC2)C1 1286813356 ZLDZYDFQHIMZAK-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4n(c3C#N)CCOC4)c2)C1 1289683458 LJCDWMRAXKAXAZ-GASCZTMLSA-N 443.529 2.204 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccnc(-n3cccn3)c2)n1 1290592894 CLUFZKGAGUVBFK-MRXNPFEDSA-N 430.520 2.365 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@@H]1N1CCOCC1 1291225352 PNHSKUKVYDGVMO-LPHOPBHVSA-N 446.502 2.255 30 10 IEEE CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)COc1ccc(C#N)c(Br)c1 1291775161 FEJPQZRRMZRFDD-AWEZNQCLSA-N 444.351 2.020 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1cc[nH]n1 1294378118 PUNUZOKDPREJMW-UHFFFAOYSA-N 432.330 2.412 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)c4ccc(O)cc4)CC3)n[nH]2)c1C 1294673403 HDRKEZCCXYLQRN-UHFFFAOYSA-N 434.500 2.380 30 10 IEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)c1ccco1 1298036455 ALBBWYUNDLTHRE-SFHVURJKSA-N 425.537 2.426 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(C#N)o1 1298776483 OXNNCXSOYZGDHR-UHFFFAOYSA-N 438.513 2.431 30 10 IEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1299633821 FJSUMYDZRDOQQH-YRISNDGFSA-N 446.577 2.406 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2 1300396092 JODSRSPAXGXCJN-OAHLLOKOSA-N 432.521 2.439 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300489982 WVIMUTHLKDPLKQ-AZUAARDMSA-N 441.601 2.363 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300506220 PQHQCSOBCRMOLF-HSALFYBXSA-N 449.621 2.021 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(OC)nc2)CC1 1300691318 UXYMMZSNFXOESQ-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C=C(C)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300969950 FJHURGLRHMPUSN-PXNSSMCTSA-N 426.583 2.298 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1300972710 PHZRLTSLDOPTOE-OAHLLOKOSA-N 437.541 2.183 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301000686 WTPXTBHUKFYUDO-HXUWFJFHSA-N 443.548 2.018 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)CC1 1301120687 ZCBVVMCLTBAODP-UHFFFAOYSA-N 449.559 2.463 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301609813 OXSGWANJTYGAPF-SFHVURJKSA-N 446.621 2.377 30 10 IEEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1301924655 IQTUVIVFMYZQLR-UHFFFAOYSA-N 432.532 2.388 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1302055297 WMLYJMSGJGRZAF-LZNRXBQRSA-N 432.569 2.391 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1304346523 SJCTUIQRQCWCKZ-UDJKBAMHSA-N 442.545 2.315 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CCN1CCOC 1306409450 JTIZDRGGIGVJRZ-PMACEKPBSA-N 430.528 2.348 30 10 IEEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1307028268 SNDGWDULAYIABL-UHFFFAOYSA-N 434.504 2.264 30 10 IEEE CS(=O)(=O)CCNC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl 1320502001 ZTUHLBZNTBABSP-UHFFFAOYSA-O 438.938 2.050 30 10 IEEE CC(C)CCN(C(=O)Cc1ccc(C#N)nc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1354187295 FJGJPQOSMPCKTB-UHFFFAOYSA-N 446.511 2.468 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(N2CCOCC2)CC1 1358899608 QOPKVKQPYIURPF-GOSISDBHSA-N 425.533 2.188 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358917809 BQZRPWBPGRVKQO-NZQKXSOJSA-N 442.564 2.434 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358962798 XKLXKEIGTMABLC-HNNXBMFYSA-N 439.463 2.244 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(NC(=O)N(C)C)cc1 1358968687 VEJNQACEBOQEQE-UHFFFAOYSA-N 449.559 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(C)cc1 1358984734 FRHUQAAAHPNRBY-MOPGFXCFSA-N 443.573 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1coc(-c2ccccc2)n1 1359026756 JXPVAXIUJSSNQG-UHFFFAOYSA-N 434.500 2.190 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC(C)(C)O)CC1 1359039700 SBNLEDMTZGFSQI-UHFFFAOYSA-N 427.549 2.172 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1359070856 WTHMELDRLZHPNU-YLJYHZDGSA-N 449.602 2.021 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1359255974 PZLLIIYBHUYDMZ-WTPASJBYSA-N 438.557 2.205 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1359339516 IEUPPGCMYJVFLA-UHFFFAOYSA-N 438.575 2.116 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359343684 YLLBOCMGXVXEKV-UYAOXDASSA-N 434.654 2.385 30 10 IEEE CN1CCn2nc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2S1(=O)=O 1360597905 UBCBVRCWKYBYOG-UHFFFAOYSA-N 427.511 2.047 30 10 IEEE C[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1436558925 DIQZXUALFZXMII-KRWDZBQOSA-N 444.532 2.001 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OC 1464542472 OFLXOAQMICCKNM-ZDUSSCGKSA-N 434.308 2.495 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)c1 1471145672 WBZQAXIYDXWSSC-HXUWFJFHSA-N 434.496 2.210 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)s1 1471759358 ZAGCHDGIARRQRU-DGCLKSJQSA-N 426.482 2.371 30 10 IEEE O=S(=O)(NCC(F)(F)F)NC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1 1473401431 WEIAJELIAJWDNK-UHFFFAOYSA-N 441.344 2.333 30 10 IEEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1 1473620378 HHLWFDWBEWEXBB-YADARESESA-N 436.556 2.061 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCS1 1494466740 GIHIZOZODBKFCM-ROUUACIJSA-N 442.589 2.391 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1NC(=O)CC1(C)C 1503123638 NQYUNOPLFOLKFX-MOPGFXCFSA-N 438.532 2.179 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1503264278 ARORDTBSZJXRNT-HKUYNNGSSA-N 428.562 2.477 30 10 IEEE COCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1504855361 IDYYOEZQTUOVAM-CTNGQTDRSA-N 434.548 2.000 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1507517456 QLSYRSODDBHAJN-KBPBESRZSA-N 425.942 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)CN1CCOCC1 1507522722 XRSGRXNCGQRQTD-ROUUACIJSA-N 427.549 2.389 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccccc2)CC1 1507529215 QPPUHLMUDXFVLE-FQEVSTJZSA-N 430.560 2.405 30 10 IEEE C#CCCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507574351 OIPXCPYXZUCFMW-VXKWHMMOSA-N 431.537 2.153 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1507578145 VBQFCAUMTSGHGT-SFHVURJKSA-N 444.605 2.139 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507623655 VFMNNZUSVXZXPR-MAUKXSAKSA-N 447.536 2.196 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCS(C)(=O)=O 1507686047 ZXYIWXLWQKMBBD-UHFFFAOYSA-N 432.546 2.391 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](OC)[C@@H](C)CC)CC1 1507723693 QUASDUNBKMRUOW-PXNSSMCTSA-N 449.559 2.410 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCC)nc2)CC1 1507724807 XFUWYAIKKPIPQG-UHFFFAOYSA-N 431.544 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C2CCCCC2)CC1 1507733319 UBVXGMYAMQUHJB-ZCVJKFOLSA-N 445.608 2.089 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507968100 QBQNQHVEQYECDZ-HZPDHXFCSA-N 445.486 2.270 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1508018216 AXCFNXJKBSJMFK-GOSISDBHSA-N 435.594 2.151 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508072888 LETXCTVTGPXEGN-OAQYLSRUSA-N 448.575 2.182 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(OC)C1 1508136865 VYDAMECYWVRJRO-OAQYLSRUSA-N 429.546 2.423 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508157819 BNQWFQLQYFZHJB-IAGOWNOFSA-N 442.593 2.044 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508821141 GOZZGAADQUELIQ-HXUWFJFHSA-N 433.516 2.495 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCSC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1509706469 UPINSHVQUDAJOO-UHFFFAOYSA-N 430.534 2.032 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1514507331 VTQIRDCUGDCCPY-HXUWFJFHSA-N 449.559 2.228 30 10 IEEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1518757940 DHKGFJBBISNRLG-MRXNPFEDSA-N 439.495 2.307 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1nn(C)cc1I 1521353280 OPFBGKYDNBMUIN-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] 1527040409 KFNDXZIPNXVBRG-UHFFFAOYSA-N 442.497 2.264 30 10 IEEE C[C@@H](Sc1nc(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cs1)C(N)=O 1527044447 YPFXGUBRPHVQAQ-CQSZACIVSA-N 443.598 2.304 30 10 IEEE CC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538539250 AWLIKIASFDKWDV-VKJFTORMSA-N 425.348 2.415 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1538974575 UEJDJJDVQCBROC-NEPJUHHUSA-N 429.468 2.006 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 1539204045 YEXCTAUEYIDYIK-IBGZPJMESA-N 428.558 2.281 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539216946 YBWCUMUERWUOIN-IRXDYDNUSA-N 441.557 2.336 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1539263271 CRFCCTZUNHYXGS-PKTZIBPZSA-N 446.599 2.456 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@](C)(O)C2CC2)CC1 1539462704 XLVQQFKJTNQCBT-XMMPIXPASA-N 439.560 2.172 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CC(F)(F)F)CC3)C2)C1 1539724065 WQWOQHBIBCQSJH-HVEKOLDVSA-N 430.471 2.480 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539900887 WGXQTTIIMVKGMZ-OAHLLOKOSA-N 434.566 2.397 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1540007238 ZRGGBZSWJRPGKF-DLBZAZTESA-N 437.610 2.278 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1540033459 JBLNRCAZYQLGCT-UHFFFAOYSA-N 438.532 2.493 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1540171068 VHCHLNYIYKYDIM-ROUUACIJSA-N 449.552 2.180 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1540880613 MASJFCDKUQYRRU-IBGZPJMESA-N 440.548 2.247 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1540889170 GKIYWPFZUCQBFN-RDJZCZTQSA-N 440.470 2.318 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541276217 UPTSJMNUQJUPBB-OAQYLSRUSA-N 446.559 2.156 30 10 IEEE Cc1ccoc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1542097173 HIQNTBSDOLDOFS-OAHLLOKOSA-N 428.518 2.346 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCNC2=O)c1 1542580694 ZWBXONPMCWMLCR-KRWDZBQOSA-N 433.917 2.340 30 10 IEEE COCCOc1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1543018505 XCTROYSOWACMJS-UHFFFAOYSA-N 445.317 2.494 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NC(C)C 1548000692 FFGPYKOKMBOJDS-OAQYLSRUSA-N 430.484 2.222 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1555633547 PLUXWNDLPQTUPW-IAGOWNOFSA-N 439.520 2.318 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCO[C@H](c4ccnn4C)C3)ccc2c1=O 1556636452 FNSPUAIPMRHACC-KDOFPFPSSA-N 425.514 2.255 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1 1561578205 GCMZPVYSHOTNCX-UHFFFAOYSA-N 426.416 2.469 30 10 IEEE N#C[C@@]12CN(C(=O)NCC(F)(F)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1565109273 CUFOBMVRDQJTJK-WFASDCNBSA-N 448.289 2.121 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCC(=O)NC(C)C)C[C@@H]1C)C2=O 1565538767 SBIPVEHPOCEBNW-WIUDPPPLSA-N 436.892 2.278 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](c3nnc(S)n3C3CC3)C2)c1 1586181898 SNRDGWPKJOJGSA-GFCCVEGCSA-N 449.533 2.358 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1587300559 XLMBFQAZLJZRAN-PGRDOPGGSA-N 443.500 2.108 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CCC)C1 1587615448 VECLQBMFDXTDJP-ROUUACIJSA-N 443.621 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1587667550 KCRQKECAFSABSW-MRUHUIDDSA-N 429.546 2.066 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2=CCCOC2)c1 1587689725 PNMSDBJSWUMREX-UHFFFAOYSA-N 431.500 2.082 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 1587703072 IYWQGXWKEQSVGD-FQEVSTJZSA-N 442.560 2.248 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1588205567 PDOSZPUFAYJSHD-KOSHJBKYSA-N 438.528 2.355 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1588811428 IYBMKZASWOPPTN-BHIFYINESA-N 428.625 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C/C=C\CC)CC1 1588891009 KSBMGPLKOPGPOF-YLNCNTMDSA-N 429.565 2.251 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2CCN(C(C)=O)CC2)CC1 1588930456 WNSMTTNJNKRXIA-UHFFFAOYSA-N 442.608 2.091 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cnn(C)c1 1589484443 TWNLGRQNPDBVER-MOPGFXCFSA-N 427.553 2.255 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1593695269 COLRPRKBKOQFDC-OAHLLOKOSA-N 439.607 2.495 30 10 IEEE C=CCn1cc2ccc(NC(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)cc2n1 1611669278 RJZXXKAERHKNAF-UHFFFAOYSA-N 433.472 2.165 30 10 IEEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1612441777 NGXXZMOJGWGOKC-QGZVFWFLSA-N 432.532 2.469 30 10 IEEE CCn1cccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1615732425 NVIWDRHGZYSKTI-VGSWGCGISA-N 428.537 2.144 30 10 IEEE COC[C@H](F)Cn1c(-c2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619617921 XKYMHVUEZAOSIB-MRXNPFEDSA-N 438.463 2.473 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1620000981 DWQPSBZWRGGBBI-NPFVIJTESA-N 430.553 2.143 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620130421 JLAROLKAVVNCDH-NXHAUGRDSA-N 442.907 2.350 30 10 IEEE COc1cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1S(=O)(=O)N(C)C 1623257356 FQJZHRRGCSLEOZ-UHFFFAOYSA-N 443.529 2.171 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C 1628461143 VLYVHYGFYHYQJG-UHFFFAOYSA-N 435.546 2.492 30 10 IEEE COc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(C(=O)NC2CC2)c1 1633177048 CYSFZHKOERZSRB-UHFFFAOYSA-N 431.445 2.276 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1Br 1636003362 GXKJMIFXAWPJPW-UHFFFAOYSA-N 427.258 2.303 30 10 IEEE COC(=O)[C@H](CNC(=O)c1cnn(CCC#N)c1C)Oc1ccc(Br)cc1 1636265335 WMVHKIZEFSHXGL-INIZCTEOSA-N 435.278 2.218 30 10 IEEE C=CCN(CCc1ccco1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1637373311 PSZQELQEQVHSJC-KRWDZBQOSA-N 426.535 2.261 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc2nsnc12 1644655437 CQKWTWWBYRNSTN-INIZCTEOSA-N 443.554 2.461 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1 1653058732 SFJBSQZRGRUVLX-SJLPKXTDSA-N 449.573 2.221 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)c1cccc(C#N)c1 1654984799 SZZAWKXFTVJJDQ-XZOQPEGZSA-N 435.503 2.072 30 10 IEEE C#CC1(O)CCN(C(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CC1 1668662279 LLXMXCYXLKMOCE-UHFFFAOYSA-N 438.528 2.111 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2cc(S(C)(=O)=O)ccc2F)c(C#N)cn1CC 1672409957 FJWNLOUTPTYTRZ-UHFFFAOYSA-N 436.465 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCc3ccc(C#N)c(Cl)c3)CC2=O)C1 1680522431 RQIVHHQSDPLECC-OAHLLOKOSA-N 447.923 2.231 30 10 IEEE C=C[C@H](C)ONC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1683557048 ZARJOCWMHGPPKW-USXIJHARSA-N 437.541 2.070 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)O1 1683703713 RMHSLDQSFUDVRE-RJGXRXQPSA-N 442.560 2.127 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCOC34CCCCC4)CC2)cc1 1685592655 WCHALTDCDPOWGQ-LJQANCHMSA-N 432.546 2.066 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689923108 LDKMUDNEEDQRSJ-UGKGYDQZSA-N 437.592 2.076 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1689979491 CHRSKXLVPDPIIQ-QZTJIDSGSA-N 444.605 2.285 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCO[C@H](C)C2)n1 1690109098 GVYMNRJICJLLAW-SFHLNBCPSA-N 442.564 2.427 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1C 1690174198 AHKQEKFUWOWPIZ-GOSISDBHSA-N 448.614 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1690241140 PAELTYCRUSGYCV-QINHECLXSA-N 441.532 2.255 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1690319043 AYZXRFVJBMLIIL-LJQANCHMSA-N 425.541 2.165 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1690597278 OTKOWEPCZNBTCS-QFBILLFUSA-N 430.530 2.404 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1690604495 VPMDOIRIKYVLAB-HXUWFJFHSA-N 445.589 2.256 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)COC)C1 1690689687 JVLJTTLLROSYDB-FUHWJXTLSA-N 434.562 2.412 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1697781046 FFAXLSHRVOWQOG-OAGGEKHMSA-N 440.520 2.309 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1 1697922559 BVJOPWFZVTYOJJ-UZUQRXQVSA-N 436.516 2.318 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@@H](C)C1 1698060274 ASVMJJYHJCQAEU-QZTJIDSGSA-N 431.585 2.106 30 10 IEEE COCCOCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1698219463 ILKNTOWRVCTWQS-UHFFFAOYSA-N 427.553 2.222 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1705479022 IHBJKTUQHLBVQE-WZONZLPQSA-N 425.533 2.127 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705533645 PUJVIYWAOQNDRB-IRXDYDNUSA-N 430.553 2.336 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnnn1CC1CC1 1705544178 GSIZXJDBCQUMCH-UHFFFAOYSA-N 445.300 2.361 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C2CC2)CC1 1705630332 PCAFBHCCGFKGBQ-UHFFFAOYSA-N 425.581 2.100 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1705638088 XLVNNJSRQOEZPZ-SFHVURJKSA-N 439.564 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCC(=O)N(CC)CC)CC1 1705648652 VPADTZAPSBRIGJ-UHFFFAOYSA-N 444.624 2.481 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705662711 IEBQITUJOSIIFS-UHFFFAOYSA-N 438.601 2.469 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCn1cc(CO)nn1 1705676966 WEPTYHNTJRFAJK-HSZRJFAPSA-N 435.532 2.066 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCCS2(=O)=O)CC1 1705772315 MKECDLZHCDYLRN-UHFFFAOYSA-N 431.562 2.357 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1705907527 PGULZRZMSRGDSR-OALUTQOASA-N 441.580 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705936997 FCVAQVLITFBOAA-RHSMWYFYSA-N 439.607 2.238 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)[C@H](C)C1 1705996989 AIMMYYNODTXDBJ-QGZVFWFLSA-N 436.516 2.132 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(N(C)C)CCSC1 1706302059 KRFMHDNFDRRVJV-OAQYLSRUSA-N 427.578 2.374 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1707754046 FJEYIDVUCSMZHR-AFWOLEEOSA-N 441.561 2.395 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 1710296607 FWBZLJHFMUKSRR-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOC2=O)C1 1712876554 QISYLMRMSZWSRQ-FQEVSTJZSA-N 434.422 2.431 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1722296581 RZIWJOOLLPNNOL-KGLIPLIRSA-N 431.543 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1722305147 DOWPCAJPBNVVJI-HRCADAONSA-N 428.541 2.166 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722335746 PEOKDEDSDGGLOJ-WOJBJXKFSA-N 426.609 2.271 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722363783 CEUJFOSMVLTERR-KNQAVFIVSA-N 448.564 2.186 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722364439 ZVXBFNNPOKYPHG-MRXNPFEDSA-N 442.570 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC1CC1 1722376030 IXRZPUZOPFJONI-UHFFFAOYSA-N 426.318 2.307 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)cc1 1722424427 MJAATGWRDRBPPZ-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N(C)C2CC2)CC1 1722435363 HEKPMQHZQJSKPZ-SFHVURJKSA-N 438.576 2.200 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)[C@H](C)CC)CC1 1722449198 OAWOYBFBPIPRPX-NQIIRXRSSA-N 438.576 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1722468986 RIOFECZFVBZJSJ-PMOQBDJRSA-N 429.565 2.181 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1C(C)(C)C 1722502209 RSEDMAYJRYKUSZ-ZACQAIPSSA-N 425.599 2.075 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1722509255 MMHBREQPCVSGLI-GHTZIAJQSA-N 439.564 2.097 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722551911 HBGGRTLVTVRERB-OXQOHEQNSA-N 443.983 2.005 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1722601602 YGZXYTMWVLTWIE-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722606827 IIDWKGUBCXJAJT-SFHVURJKSA-N 447.605 2.472 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCCS(C)(=O)=O 1722655287 ASEIOGPTZBSYDB-UHFFFAOYSA-N 431.562 2.141 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722700596 NGWKJPLGYBDFHY-INIZCTEOSA-N 438.454 2.114 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1729565556 VXOMFWHECBDCDA-QGZVFWFLSA-N 444.561 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccco1)N(C)C 1740542630 XXUZQYLVOQNGBT-LPHOPBHVSA-N 431.504 2.275 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1740590327 GTHLBAQAQGZDQW-LJQANCHMSA-N 437.610 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC[C@@H]2CCCCO2)CC1 1740706306 VQRSZQKSSZVITH-UXHICEINSA-N 429.565 2.097 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1740729511 GLZKBPHLIHQXDA-OPAMFIHVSA-N 430.553 2.478 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740760548 QAGJPESSHJUCMX-QFBILLFUSA-N 425.599 2.072 30 10 IEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740784652 YHIFIXGSOHRREW-GOSISDBHSA-N 428.562 2.496 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CC1 1740825721 SLKAYUKTMRVPHU-HNNXBMFYSA-N 439.488 2.381 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1741131446 FSDFIQLZDFFYBJ-NVXWUHKLSA-N 446.577 2.397 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1745888152 BMGFBQOXNRODFE-UXHICEINSA-N 438.532 2.448 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1747453183 PFKVOVNVHXQQDW-PMERELPUSA-N 431.562 2.421 30 10 IEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)CCOC1 1748504697 ACWNZFWMBANEGL-WMZHIEFXSA-N 441.532 2.397 30 10 IEEE C#CCCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1748698727 JGBFNRAHOBEMMM-UHFFFAOYSA-N 436.607 2.481 30 10 IEEE C#CCCCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1748763964 DYNKEHHESNTLDK-NRFANRHFSA-N 445.593 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC 1748891657 CPPCLKNWIJJVJN-IBGZPJMESA-N 426.542 2.090 30 10 IEEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1749749043 FIGHOIAKWRIQKK-IBGZPJMESA-N 438.557 2.364 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1750075241 BYEOTNYIKNIPBJ-AEFFLSMTSA-N 428.512 2.266 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)(F)F)C1 1750378000 DNYWBMUANLQBLP-LJQANCHMSA-N 449.412 2.402 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccccn3)n2CCOCC(F)F)CC1 1750384699 KKZYDDIFIMMNEY-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)s1 1751868379 VBGYSHAHCRSNHK-UHFFFAOYSA-N 445.574 2.090 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1760113872 YODBXLHXNVGZSZ-QGZVFWFLSA-N 438.580 2.215 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1760116080 FGYWNPQRJQWFLH-CNNODRBYSA-N 438.576 2.275 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)COCCO1 1760211681 JXKILEBXHSXFQA-LJQANCHMSA-N 432.322 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)CC1 1760267735 XVSPHUVLMHGQDO-UHFFFAOYSA-N 445.552 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2cccc(C)c2)CC1 1760269259 CIIDNZQOOLCGBR-FQEVSTJZSA-N 437.544 2.135 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760280250 IFAKGFYFADGLLC-SFHVURJKSA-N 437.635 2.353 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760280293 JJNJBWDWZVAYHR-UHFFFAOYSA-N 425.624 2.162 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760521030 HTHKYGGYVDAOBH-SFHVURJKSA-N 439.564 2.083 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1760565650 BRWDEZSYWQOVQC-IRXDYDNUSA-N 428.624 2.352 30 10 IEEE CC(C)[C@H]1CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760949970 BEJCVXQFAWEICX-UGNPLGLKSA-N 435.532 2.415 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1761283970 SYRDBSWFAVNITO-XXBNENTESA-N 446.596 2.169 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1763448856 ALRBHMAAWFUXHX-FXAWDEMLSA-N 449.563 2.333 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C 1764122845 FSNHBDCIHCJSLK-QGZVFWFLSA-N 431.585 2.047 30 10 IEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)(C)C 1768083953 HHVANOIERMDAKB-OALUTQOASA-N 437.548 2.434 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC[C@@H]1C 1769112229 IEMAMZIJSAGBNK-DZFGPLHGSA-N 441.532 2.395 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1769912445 NEPBSENYFCDJQJ-HTAPYJJXSA-N 442.495 2.319 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCCO[C@@H]2CCOC2)cc1 1770741171 ZANGAMWRYBXIJX-LJQANCHMSA-N 429.546 2.478 30 10 IEEE N#Cc1ccc([C@H](CC(=O)OC[C@@H]2CCNC(=O)CO2)N2Cc3ccccc3C2=O)cc1 1851119227 GPAMRHDPIQAVGP-FPOVZHCZSA-N 433.464 2.094 30 10 IEEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3cccnc3)CC2)cc1 1853471561 NJDNYFULRIAUEO-UHFFFAOYSA-N 425.533 2.240 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCN(CC(F)(F)F)CC3)C2=O)c1 1856572300 PKSBXODVGKLCOR-INIZCTEOSA-N 428.842 2.327 30 10 IEEE C=CCNC1=C(c2ccc(OC)cc2OC)C(=O)N(C2CCC3(CC2)OCCO3)C1=O 1863755724 FZUOYKGIJQMTCN-UHFFFAOYSA-N 428.485 2.245 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccccc2F)CC1 1866866382 GRTXSNFSJLMSTH-ROUUACIJSA-N 430.505 2.280 30 10 IEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870149550 LHFLZOUIICOPRY-MRXNPFEDSA-N 446.467 2.143 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671690 CCSWBUWHQIZWEK-UHFFFAOYSA-N 437.592 2.388 30 10 IEEE C=CCn1c(C(=O)NCCCOCCCC)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873594723 ZLULOWRUTNZXEP-UHFFFAOYSA-N 442.564 2.256 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060632663 DNGJRKRSIYVTBV-IAGOWNOFSA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224119963 GXGQHJTVOCFXIV-UHFFFAOYSA-N 434.298 2.270 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2244733015 PRZITRBBUUTCQY-CABCVRRESA-N 430.376 2.397 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247861714 OYPGAWNQFVHLAQ-FQEVSTJZSA-N 440.371 2.053 30 10 IEEE CN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)Cc1ccccc1 2247880484 GEINGXSWAVAEBP-UHFFFAOYSA-N 430.379 2.396 30 10 IEEE CON(CC(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2248394908 DRJXMPDKYVHNGW-GFCCVEGCSA-N 441.359 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2251295501 TTWONAGHMAQFTC-DGTDAXKGSA-N 438.252 2.107 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCN(C)C)Cc2ccccc2)n1 2255636422 UJOIBGYHKITODD-UHFFFAOYSA-N 426.370 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255657846 VDIJJYOCQYWZBJ-HNNXBMFYSA-N 429.326 2.286 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1C=CCN1C(=O)OC(C)(C)C 2255694229 MHGLILREFLVGKQ-INIZCTEOSA-N 431.342 2.230 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2267007767 AZPBGDVZNDBNLX-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267107899 RHSYKOBECYXNBN-ROUUACIJSA-N 446.353 2.086 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267130988 VUDFOMSVOXIUHM-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167300 DKQYFNAQKUWQPK-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267196221 CNUZFDADMZHCIE-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)cc2)OC1(C)C 2267268248 RQZUKHIJBALIJK-QFIPXVFZSA-N 435.377 2.190 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267270228 KDPBNWFBJYVPQW-SWLSCSKDSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267279976 MHTNCRMPUNSIGK-AWEZNQCLSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C2COC2)C1 2267490937 VTGRVMUUBIOOJK-UHFFFAOYSA-N 448.325 2.039 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2267504033 MIRUBZFBZHBFKQ-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267511066 WPTDEEQMHIQONM-CABCVRRESA-N 448.373 2.203 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267550945 GIWABDDVXMYANB-DEOSSOPVSA-N 440.349 2.336 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879183 GAFWLQALPWYYGC-LSDHHAIUSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2COCC[C@H]21 2268648317 XXPMNTBUPRELKC-KZNAEPCWSA-N 448.369 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268651464 WIEYJRPAXKXWIG-GOSISDBHSA-N 446.353 2.238 30 10 IEEE C[C@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268722930 KVOITHWXSMJZRY-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2271952903 UICHLUBZWAFHJN-GOEBONIOSA-N 448.373 2.235 30 10 IEEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1N=C1NS(=O)(=O)c2ccccc21 2293897171 UILBDULJGLLNTA-UHFFFAOYSA-N 446.491 2.450 30 10 IEEE CC#CCN(CC(=O)NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300542389 LOURCCLTPBYCIT-BRWVUGGUSA-N 439.553 2.027 30 10 IEEE C=CCn1c(SCC(=O)OCC)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1=O 9474200 PKWNVAABZVSTFI-HNNXBMFYSA-N 431.514 2.147 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)c1 20806939 JTOMMLBJGQRUEM-SSDVNMTOSA-N 438.517 2.436 30 10 IEEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 20807136 HUBQNDRGLTWNSG-KEBDBYFISA-N 426.462 2.385 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 24379522 OZPYKPYXDNXELE-KXBFYZLASA-N 448.495 2.041 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 29780256 YZXGWMIYBVNYOU-INIZCTEOSA-N 431.489 2.388 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@@H](Cn2ccnc2[N+](=O)[O-])O[C@H]2CCCCO2)cc1 35827278 ADKHTOXGXAAZSE-WBVHZDCISA-N 425.463 2.417 30 10 IEEE O=C(COC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)Nc1ccc2c(c1)OCCO2 96482186 SXLNNUXNHNOHMD-YVMONPNESA-N 442.390 2.297 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 438616601 CIDPUMIDHLIPEL-UHFFFAOYSA-N 442.541 2.437 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@](C)(O)Cn3ccccc3=O)c2)c1 468258324 BGAJMNIXJLPHMY-VWLOTQADSA-N 430.460 2.424 30 10 IEEE CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470744055 JYMLDWNVZSTXCS-UHFFFAOYSA-N 444.469 2.012 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@@H]1CCCO1 480929380 GXOREYMPUVNMSO-KBPBESRZSA-N 432.567 2.277 30 10 IEEE N#C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 485636234 HISLSLSAMOMHTL-ZDUSSCGKSA-N 443.213 2.334 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1C#N 489352161 BHPSHLZFGYZHIT-UHFFFAOYSA-N 433.291 2.288 30 10 IEEE C=CCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508492394 JIZHDTFWKJONRA-HNNXBMFYSA-N 434.522 2.397 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CN1CCC(=O)NC1=O)c1ccc2c(c1)OCO2 521952459 RTGDMHMSVSDUGW-UHFFFAOYSA-N 437.452 2.455 30 10 IEEE Cc1ccc2c(c1)C(=O)N(CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)C2=O 523358403 CJWRRBNVPCJLFU-GOSISDBHSA-N 434.477 2.003 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 526929510 CPBHNIYFYNTFQP-ZIAGYGMSSA-N 446.495 2.004 30 10 IEEE C=CCc1cc(CNC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc(OC)c1OC 543047026 YAGGXSORFAYNQW-GOSISDBHSA-N 441.532 2.156 30 10 IEEE C=CCn1c(Cc2noc(CCc3cc4ccccc4nc3O)n2)nnc1N1CCOCC1 547059446 ZVENAGRWSYDYOO-UHFFFAOYSA-N 447.499 2.314 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 549255840 DWUVDSLNQHOUFP-OAQYLSRUSA-N 441.561 2.331 30 10 IEEE Cc1nsc(N2CCN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)CC2)c1C#N 558617031 HHIUGDSKHFDALA-UHFFFAOYSA-N 438.557 2.460 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(CCc4ccco4)n3C[C@@H]3CCCO3)CC2)nc1 619852918 MARSJMLDYVEGMC-FQEVSTJZSA-N 433.516 2.429 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC 730086767 QZNXJAJRDCZUOB-VQTJNVASSA-N 433.549 2.282 30 10 IEEE Cc1cccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 732494824 OFAKAWFOVRCHIX-CTNGQTDRSA-N 430.464 2.118 30 10 IEEE C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735230388 KJLJVSFMGUUGOF-FQEVSTJZSA-N 437.847 2.185 30 10 IEEE COC(=O)[C@@H](NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(C#N)cc1 739989486 JPKRYKUHOBNYBF-CTNGQTDRSA-N 443.525 2.019 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1ccc(C#N)cc1 740212955 VVYRZISMEZPFMY-ZJSXRUAMSA-N 447.447 2.315 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 741912722 SGIVKSKQHFHHEO-FCHUYYIVSA-N 446.503 2.435 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)c1 744628121 IXMYFZREJDUXSM-ICSRJNTNSA-N 432.542 2.182 30 10 IEEE COC(=O)c1c(F)ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1C 753009581 QVBAZZOFPLRWHG-UHFFFAOYSA-N 433.461 2.378 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cccc(NS(=O)(=O)C(F)(F)F)c3)CC2)n1 760779213 VXBYBJLIVIQHDE-UHFFFAOYSA-N 439.419 2.177 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cn(-c4ccccc4Br)nn3)CC2)n1 760794834 WGMYQCJFMNRMFP-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCn2cc([N+](=O)[O-])cn2)C1=O)NC1CC1 768487432 WPJHBTJPPOIOJT-INIZCTEOSA-N 446.464 2.231 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(Cc4ccc(N(C)CCC#N)cc4)CC3)C2=O)n(C)n1 780789518 DTXBOXANRZVHLN-HSZRJFAPSA-N 449.603 2.392 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CSc2nnc(-c3cccs3)n2C)n1 788818849 AKILOHRVKRXAOO-UHFFFAOYSA-N 430.559 2.141 30 10 IEEE CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 789919210 FRSSNGFQUMMHMM-KBPBESRZSA-N 428.436 2.101 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CCCN1C(=O)OC(C)(C)C 790671161 GLXLGDQAGYLLCP-KSFYIVLOSA-N 431.537 2.378 30 10 IEEE Cn1nncc1-c1csc(=NC[C@H]2CCCO2)n1N=Cc1ccnn1-c1ccccc1 794844635 TZERFOZIWSHWOZ-GOSISDBHSA-N 434.529 2.493 30 10 IEEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@H]1COCCN1CC(F)(F)F 797164080 RBDHUSSBSMOZCE-HXUWFJFHSA-N 440.462 2.067 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H]2CCCO2)CCN1C1CC1 802681250 AQTHTQGACKZPCM-LVCYWYKZSA-N 436.516 2.146 30 10 IEEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2)c1=O 814250734 YGCRZFZVRADGLW-UHFFFAOYSA-N 427.464 2.465 30 10 IEEE N#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(F)(F)F 1134050792 PFCGZJMGGHQNNY-AWEZNQCLSA-N 425.379 2.326 30 10 IEEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134429165 QITVSWRXEOUBDR-OHUAYANFSA-N 447.738 2.267 30 10 IEEE C=CCOC[C@@H](NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)C(=O)OC 1139175361 CBKGZVMLJVGXCS-KXSVDRQTSA-N 442.578 2.416 30 10 IEEE CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1141414141 UEFJZFMBCPLAPC-UHFFFAOYSA-N 446.510 2.335 30 10 IEEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1noc(C(F)F)n1 1141933785 QLYGEZRDDXDHSZ-NSHDSACASA-N 441.460 2.484 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CC(N)=O)CCCCC1 1148828425 GQRFOSDLYYOBLY-KRWDZBQOSA-N 448.589 2.226 30 10 IEEE C=CCn1c(SCC(=O)NCCn2cnccc2=O)nnc1-c1ccc(Cl)cc1 1162889875 CXIPIOMRDYQRAC-UHFFFAOYSA-N 430.921 2.250 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](C(F)(F)F)CC2)CC1 1175875452 XCANWFRFKYKBSV-ROUUACIJSA-N 428.430 2.188 30 10 IEEE CC(C)Oc1ccc(-c2nc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)cc1 1180990628 XUUBHSVOWYMHFH-UHFFFAOYSA-N 437.481 2.428 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cs1)C(N)=O 1265116211 VKFYFYKJPOXQPQ-ZWKOTPCHSA-N 443.598 2.278 30 10 IEEE CC(C)(C)OC(=O)Cn1cnc(NC(=O)COc2ccc(C#N)c(Br)c2)n1 1277373653 FPMGKEGXRMMCLK-UHFFFAOYSA-N 436.266 2.271 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286325551 YZKZLRXZXOSWQL-RTWAWAEBSA-N 442.608 2.109 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286354542 OXKOCUHLQPOLNY-SFHVURJKSA-N 428.606 2.381 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1286383716 DRZZBGGOPSXDFD-XLIONFOSSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C)n(C)c1=O 1286425124 UUGSTJSNEVKAGE-UHFFFAOYSA-N 445.523 2.481 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCSCCCO)CC1 1286485243 GNCIAIZKLITGMA-RTBURBONSA-N 435.638 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(C)C2CCCCC2)CC1 1286494888 VFRNEDNONNZGIF-UHFFFAOYSA-N 426.609 2.461 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1286728515 BNSMMFTVICKBQW-IAGOWNOFSA-N 427.615 2.491 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@H](C)C#N)C1 1286858983 GPGXBMZXSZSWJB-IEBWSBKVSA-N 434.548 2.371 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 1288481019 XOTAJLNYOQSAHP-JCNLHEQBSA-N 436.530 2.165 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1291497311 VYXVAHIDBFJCOY-CXAGYDPISA-N 425.493 2.071 30 10 IEEE C#C[C@H](NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2)[C@@H]1CCCO1 1296701127 LKRDYHIXGWMZOQ-WDSOQIARSA-N 427.501 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1300303826 KSFSLRRJOYIEQK-CEWLAPEOSA-N 436.560 2.069 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C12CCCC2 1300339814 GPRUQCKHWHWNJN-VRTBNJGNSA-N 432.521 2.341 30 10 IEEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1300358222 NCEHNSVASZPHQI-UHFFFAOYSA-N 433.560 2.488 30 10 IEEE C#CCCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300424814 MFIGRSUBRMISLP-YESZJQIVSA-N 430.553 2.129 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300487740 MFRKAVIJUCFNHL-AVRDEDQJSA-N 445.589 2.231 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300497364 YKEDXXZJXJFNRH-WMZOPIPTSA-N 434.949 2.110 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300501499 LOWDOFFJTUSOIM-CZUORRHYSA-N 439.632 2.012 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1C 1300512704 LRWQYBUFILFPHF-UHFFFAOYSA-N 426.322 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCC[C@@H](C)C1 1300544702 CJCCRZQFOHFQQT-MOPGFXCFSA-N 438.601 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1300579323 SYIPLDUWDMHQRG-NZQKXSOJSA-N 449.555 2.100 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300983396 YKHYTPCNFGKHNF-UHFFFAOYSA-N 440.548 2.112 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1300989547 PLINNDRHWWPECT-FGTMMUONSA-N 440.610 2.413 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)c1 1301081302 WFPKBSPAGSWHOE-LJQANCHMSA-N 440.443 2.254 30 10 IEEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1301087857 WQGLOBZTYFCLBF-NRFANRHFSA-N 437.592 2.363 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOCC1 1301363413 RFNANRYJBJTBHN-SFHVURJKSA-N 430.578 2.206 30 10 IEEE C=CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1301621061 PSULAWOGKURZGX-LZJOCLMNSA-N 435.594 2.097 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1303331259 JVOINSLWBUFABC-CVDCTZTESA-N 438.532 2.262 30 10 IEEE Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)cs1 1304213454 LHFRBSMURCHGBY-KRWDZBQOSA-N 443.554 2.496 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NC(C)C 1304557918 VWOJIRKFSLGKNB-UHFFFAOYSA-N 445.527 2.237 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCOCC1 1305466996 NKHCZWUVUITQCK-IRXDYDNUSA-N 439.564 2.295 30 10 IEEE C#C[C@H]1COCCN1C(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1312119689 ZVVSSXVGHSGKSD-RXVVDRJESA-N 428.510 2.232 30 10 IEEE CN(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314670163 IDRJREITXSEGMN-SFHVURJKSA-N 443.983 2.353 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)CC1 1315000489 CABNNSPHKJBNNJ-UHFFFAOYSA-N 431.500 2.231 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)CCO1 1315011953 CPWTWSMTZXVSNW-MSOLQXFVSA-N 426.546 2.054 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(Cn3ccnn3)c2)c1 1350734796 NQYBRJQYSVHIHZ-GFMRDNFCSA-N 438.513 2.392 30 10 IEEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1358916120 APWXHPJEZLGHLZ-FQEVSTJZSA-N 425.533 2.229 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1358937070 HITSTSCQPQFLFM-LJQANCHMSA-N 442.564 2.241 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCCC1=O 1358978715 SMJRUKXQNPGDKC-JOCHJYFZSA-N 431.540 2.416 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@@H]2CCOC2)cn1 1358980559 AQHIOBIMUDXBLT-GOSISDBHSA-N 435.557 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1358982000 GBMGATNDFPHOEJ-QGZVFWFLSA-N 439.564 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)C2CC2)CC1 1359046045 BUMQRYSOEYYRAL-JOCHJYFZSA-N 427.574 2.057 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1359187723 VGANTXJEOXKEQP-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1359215780 JGMDMQVLIDWNRA-MRXNPFEDSA-N 436.607 2.320 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359292218 KMAVPSRXKBRYOK-IXDOHACOSA-N 447.511 2.100 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CC(C)C)C1 1359303887 DKTHYHQFPKIXEZ-MRXNPFEDSA-N 430.578 2.444 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(C)(=O)=O)C1 1359318905 ORJUHDVYLAHWAL-MRXNPFEDSA-N 429.546 2.263 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCS(C)(=O)=O)C1 1359325776 MOXVOZJCIFCGDA-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359509819 HAPKXKVTNRSABB-FTHOYRMOSA-N 442.564 2.497 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1360407780 APUHOQBDSRAGOB-UHFFFAOYSA-N 439.537 2.106 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCc2ccccc21 1360680701 HJFUJMJAKPDPEU-NBQZKYEYSA-N 432.525 2.060 30 10 IEEE CC(=O)c1ccc(Br)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1439427957 FECGKMAYCZMQCR-UHFFFAOYSA-N 436.287 2.329 30 10 IEEE CSc1nc(C2CC2)cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C#N 1455228891 FGIOKYJOLMGROQ-UHFFFAOYSA-N 427.574 2.499 30 10 IEEE COc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc(Cl)c1OCC(N)=O 1456065459 RIIYAVZVVOCJCP-OAHLLOKOSA-N 443.891 2.196 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 1457945445 BDSOGWGPXJORAP-HNNXBMFYSA-N 425.514 2.025 30 10 IEEE C[C@@](O)(CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1Cl 1460824726 RBOCYOSWMCDORW-XZJROXQQSA-N 433.755 2.180 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)C(=O)OC 1467515056 CNRGTYYRGDKVAL-ZBFHGGJFSA-N 428.432 2.391 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3noc(C(F)(F)F)n3)C2)C1 1467594468 JYHJGTRRMQYUFS-VVHFOWEKSA-N 429.399 2.491 30 10 IEEE C=CCOc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1OC 1472250020 RXHHWALSAMJEMC-INIZCTEOSA-N 445.516 2.210 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)cc1 1475973161 FIIOWIAQVHFBNP-LBPRGKRZSA-N 431.383 2.173 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478902186 QBWFVVDQHPPFMC-HXUWFJFHSA-N 437.466 2.233 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1500927762 DHAHPHSISYRTAX-ICSRJNTNSA-N 442.589 2.172 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2ccco2)C1 1505145021 YXHBNYDYGXJQRB-GOSISDBHSA-N 440.529 2.343 30 10 IEEE C#CCCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1507597329 YTZXJTUCPBXUJI-VGOFRKELSA-N 433.553 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OCC 1507666638 FMIJZOOJJBUUGZ-UHFFFAOYSA-N 432.528 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1OC 1507707446 WRQQBGGCUOYUMZ-UHFFFAOYSA-N 432.484 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2nc(C)cc2C)CC1 1507736978 WZDJEVLBHWNHGF-UHFFFAOYSA-N 434.548 2.143 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)OC)C1 1508077724 ZVZSUOSLILUPQD-GJZGRUSLSA-N 447.923 2.373 30 10 IEEE CCOCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516700114 AWOQTOMUNQSAPL-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1517472845 CVURLGHJVFBTCX-JPZYQRIQSA-N 442.589 2.326 30 10 IEEE COc1ncccc1Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1518548072 FWFJXJAOEXLUMJ-INIZCTEOSA-N 447.547 2.404 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccoc1 1519322340 SBFPPCWAUUQVIQ-KRWDZBQOSA-N 437.504 2.237 30 10 IEEE C#CCN1CCC(C(=O)N(C)[C@H](C(=O)OC)c2cc(OC)ccc2Br)CC1 1528717360 STPGJPRCBGICHU-SFHVURJKSA-N 437.334 2.475 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)c3ccc(C#N)cc3)cc2)CC1 1531447252 OVUKGXNJCORUBK-UHFFFAOYSA-N 426.542 2.411 30 10 IEEE C#CCC1(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CCC1 1535863279 ZZLMKZYHNHISRQ-KRWDZBQOSA-N 431.558 2.132 30 10 IEEE COc1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc(Cl)c1OCC(N)=O 1538862913 VZFCZKOMEZWNJW-GOSISDBHSA-N 429.860 2.298 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539237509 FTUZCSCXSNHBJZ-NLFFAJNJSA-N 447.539 2.056 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1539459362 FREWXEHKKSGRGN-OAQYLSRUSA-N 434.544 2.443 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC1 1539462814 ZXFXKAAAMQOZQA-PMERELPUSA-N 447.992 2.177 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1539576788 BCNGEJLCSXWSSD-UHFFFAOYSA-N 441.374 2.020 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1539742365 BZWUZRHNTJYQRX-OAHLLOKOSA-N 425.459 2.401 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539887707 GIACMJUYNUSCPD-IAGOWNOFSA-N 429.487 2.448 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 1540625856 LYCXJTALUQMKDT-QGZVFWFLSA-N 443.500 2.006 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1541089038 SANSFALLNPOGRN-UHFFFAOYSA-N 444.543 2.367 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1541803150 DGHNOWFPOPFNIQ-LQWHRVPQSA-N 434.610 2.118 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1546099370 COPXXDWNRMZESG-JOCHJYFZSA-N 426.521 2.260 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1547259259 FHVNUXOYSOISDA-UYAOXDASSA-N 438.532 2.260 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1547526271 GROIOGABXQMEQT-QFIPXVFZSA-N 448.575 2.424 30 10 IEEE CCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1548275335 XFRMQIAVCYDLTK-UHFFFAOYSA-N 448.575 2.370 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1555795149 MZMKKIFQEUIXJT-RBUKOAKNSA-N 427.530 2.175 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)C1 1555986700 RUYUCDWOLQTXGH-DYESRHJHSA-N 430.459 2.070 30 10 IEEE CCO/C=C\[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(F)(F)F 1556794291 GTHDJQVRHHRIDI-FPISAVPCSA-N 434.436 2.337 30 10 IEEE N#Cc1cc(CN2CCOCC2)cn(Cc2noc(-c3c(F)cccc3Cl)n2)c1=O 1559415082 DMQRLZVNWASPHH-UHFFFAOYSA-N 429.839 2.443 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](N2CCOCC2)CC1 1561694881 BRQWYNDUDQIDDI-CQSZACIVSA-N 428.352 2.196 30 10 IEEE CCOC(=O)CC1CCN(C(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CC1 1562590878 ASXUXVTWNOXDNF-UHFFFAOYSA-N 434.493 2.380 30 10 IEEE Cn1cnn(-c2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2)c1=O 1583587786 CBBCSIYSDSNTJZ-UHFFFAOYSA-N 428.246 2.223 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccccc3S(=O)(=O)C(F)F)C2=O)cc1 1584786673 CLVWREXLRZUHOD-KRWDZBQOSA-N 447.463 2.409 30 10 IEEE CN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(C#N)nc1 1586484572 CZTLNAQVZQUIOB-UHFFFAOYSA-N 430.394 2.289 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1587561980 JOOJCRUHUZYVDT-JKSUJKDBSA-N 428.562 2.379 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1587888905 PAWQQZYKNDSAFY-PMACEKPBSA-N 439.560 2.436 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1588041212 VUZKRGMTWQIYMZ-RTBURBONSA-N 445.589 2.205 30 10 IEEE C=C(C)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593677878 RKTXFPCGALQMRG-OWCLPIDISA-N 439.582 2.248 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1595561793 BZXLNEGXHRHLCG-UHFFFAOYSA-N 449.559 2.101 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)C1 1595673807 JQVWQQHQGDGFPM-YOEHRIQHSA-N 439.969 2.371 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@H]2C)C1 1595729840 PYCSTHNAJDBUCD-WJONJSRFSA-N 434.487 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC=C(Br)C1 1595798044 LWQSPTHCXLEYNR-AWEZNQCLSA-N 445.383 2.262 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595850759 SHAKYLQXODJIMQ-DOTOQJQBSA-N 428.518 2.487 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1595889954 DPPOPCVFVXUWRB-UHFFFAOYSA-N 433.553 2.222 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2c([nH]1)CCCC2 1597578621 AYJRDBCKHVJSGY-KRWDZBQOSA-N 429.546 2.058 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@H]2C)cc1OC 1619210743 HWZFSXUZXAMUFN-BPQIPLTHSA-N 427.505 2.364 30 10 IEEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1occc1COc1cccc(C#N)c1 1629657149 ANNZZUUYNKBJAJ-HSZRJFAPSA-N 425.485 2.076 30 10 IEEE COC(=O)C[C@@H](NC(=O)COc1ccc(C#N)cc1OC)c1ccc(OC)cc1OC 1630629853 GEXNEXOWGPZPJD-QGZVFWFLSA-N 428.441 2.383 30 10 IEEE C=CCOC[C@H](NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)C(=O)OC 1635159237 VYTKDTZSCFFOBO-HNNXBMFYSA-N 426.395 2.128 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)C1 1637885071 CRNZFIRHDZCAII-XXBNENTESA-N 426.517 2.447 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1640219149 PVYDXUNYPCEIHB-SELNLUPBSA-N 428.533 2.356 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1640585334 PJTAHTQTOWJOAP-CYBMUJFWSA-N 431.352 2.291 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCN(C4CCOCC4)CC3)CC2=O)cc1Cl 1641171903 CGOPWIRLWFIEPO-MRXNPFEDSA-N 430.936 2.324 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1641932706 CVVWVEBWPOAFLY-AVRDEDQJSA-N 425.554 2.500 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1643543217 KZZZGHCATMWWFE-KRWDZBQOSA-N 432.498 2.316 30 10 IEEE C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1643892265 JPKGOINEEHMHAP-NRFANRHFSA-N 449.960 2.269 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)c(F)c1 1643900554 HLNTWSOYUHPUTP-UHFFFAOYSA-N 449.486 2.282 30 10 IEEE COC(=O)c1cnc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)s1 1644843564 HUVQOGZYBQVEET-BTTAGBNVSA-N 434.518 2.333 30 10 IEEE Cc1ccc(-n2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c(C(C)(C)C)n2)cc1 1648029122 YGNKGOREGMUOQI-UHFFFAOYSA-N 432.484 2.309 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1649542528 NFTGKLSVUTWKPS-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)cc(C#N)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1652294293 HEGOFBOPJUISCE-KGLIPLIRSA-N 446.451 2.195 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1654851209 VKNKYQUSFPVEIC-VBKZILBWSA-N 437.587 2.105 30 10 IEEE CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1685722756 PXZICXYTCROAGG-GDIGMMSISA-N 425.512 2.037 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCS(C)(=O)=O 1689973788 PVLFYYSJTMLRGV-UHFFFAOYSA-N 441.351 2.124 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(C)CN(C)C1=O 1690035582 DFTSDUNKDFIXIX-DEOSSOPVSA-N 427.512 2.276 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCO1 1690173010 UAIVPIRKYTYDFT-LJQANCHMSA-N 441.605 2.434 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 1690181426 XXKYWTZWWDJFOF-UHFFFAOYSA-N 427.574 2.325 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1 1690671140 PNAMANVUUQFPAI-OALUTQOASA-N 443.573 2.132 30 10 IEEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1691389703 MCOXXHZRXUFLGS-SFHVURJKSA-N 436.582 2.097 30 10 IEEE CCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 1695838051 YNFAQIIYHHFSDE-HKUYNNGSSA-N 437.548 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1705491592 FQZABAZLUQQJTR-HUUCEWRRSA-N 428.514 2.441 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)NCc2ccco2)c1 1705507530 FINZFCDGDWLSOH-UHFFFAOYSA-N 446.511 2.196 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1705517169 QAADCLXHNKDZRX-MSOLQXFVSA-N 437.610 2.287 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705560677 MRWSZYOHFQNNJS-QGZVFWFLSA-N 434.537 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCC1 1705598178 CTLQYIRAEFYUTH-UHFFFAOYSA-N 446.603 2.399 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705602890 IOIKGBJYOTYRPO-UHFFFAOYSA-N 428.484 2.036 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1705641340 BGXPNRDALGCWDD-UHFFFAOYSA-N 443.555 2.220 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 1705666070 NGOJNJZNERAQMK-UHFFFAOYSA-N 431.537 2.454 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1705879678 IDBQUODNKJAQPK-SFHVURJKSA-N 444.561 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1705902053 FAYVMQDCVFFPAZ-QGZVFWFLSA-N 428.537 2.281 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705950352 YJYZFLSCLAUIKN-WIYYLYMNSA-N 437.610 2.343 30 10 IEEE CC(C)NC(=O)Cn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706648708 IWJSQDXDLCTVAH-UHFFFAOYSA-N 445.527 2.123 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@@H](C(F)(F)F)O1 1708180653 AOLVVDIFSSPTLS-WBMJQRKESA-N 432.410 2.150 30 10 IEEE CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1709150408 GPQVXBBXEUCBFE-UHFFFAOYSA-N 440.529 2.005 30 10 IEEE CCCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1709607570 NPKKDAZMBQYJGX-FQEVSTJZSA-N 438.580 2.107 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)F 1710561251 AKFROMGCHBOMDC-UHFFFAOYSA-N 448.474 2.377 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)C[C@@H]1C 1711471640 CUTBVDGQUDTPOD-INIZCTEOSA-N 434.504 2.184 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1712453777 ZWXTVJWSURVTGH-XMSQKQJNSA-N 426.521 2.435 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722315811 SOGAUFANRKHNQX-LJQANCHMSA-N 426.565 2.262 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1722337080 UQPNWBJBOMYFTB-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(N(C)C)CCSC1 1722421872 VAYVBALPCVMUHJ-QFIPXVFZSA-N 429.590 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC[C@@H]2CCCCO2)CC1 1722433486 WXXYIOZWJXOVHU-REWPJTCUSA-N 431.581 2.035 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1722437499 UMPCGKNZAMXVOB-FDDCHVKYSA-N 443.979 2.488 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722461092 MBFPVJVKNDIQTB-JXFKEZNVSA-N 441.557 2.214 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722563992 FFCITEJCNOLGCG-WIYYLYMNSA-N 438.594 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCc1cnccn1 1722695915 VCDYZJCVMKCNQB-UHFFFAOYSA-N 441.923 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)C1 1722710856 PDFGNSRZLUKDAK-SOUVJXGZSA-N 433.525 2.105 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1723018958 GOUQPUZNNHCECF-BJLXPSRBSA-N 428.562 2.066 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723645599 BRNBLUWOZOFLSG-UHFFFAOYSA-N 446.559 2.002 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1740534610 INHASDZUJDOGNN-MBSDFSHPSA-N 435.532 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1740548215 GPABHTJGSBBELB-QZTJIDSGSA-N 432.569 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCCC1 1740631428 TXMJXBHSECLZJS-IBGZPJMESA-N 439.585 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC(F)(F)F)nc1 1740637232 VFXJDMPJKBURDM-UHFFFAOYSA-N 429.406 2.136 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2cccc(C)n2)CC1 1740700983 PRFMWBBDDZEDMK-UNMCSNQZSA-N 438.576 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1740704588 UBIZPQWSBQTXOZ-FPOVZHCZSA-N 434.544 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nc(C(C)C)cs2)CC1 1740707950 WITDSARJFSBBOW-UHFFFAOYSA-N 430.578 2.409 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ncc(CC)s2)CC1 1740709250 DHHWMAVEGPXTTH-QGZVFWFLSA-N 428.562 2.163 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740837585 OSFVZHDJBUUWSW-UHFFFAOYSA-N 441.536 2.431 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCO[C@H]1C 1740915236 YXZXYBHZXFHWIF-SBUREZEXSA-N 431.500 2.339 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)C1 1740983356 GSZACKJCBQMRFP-OFNKIYASSA-N 428.533 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C)CC2)nnc1[C@]1(OCC)CCOC1 1740993454 BDMJHVCUUNDMMQ-XLIONFOSSA-N 426.583 2.157 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(Br)c1 1748785531 ZPCLPSRLNPOADU-OAHLLOKOSA-N 432.322 2.312 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1748817965 UCZBMWNWEARIMZ-SFTDATJTSA-N 442.585 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(=O)NC)c1 1748900872 MPHPYQOQUHXQAD-UHFFFAOYSA-N 443.555 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(=O)Nc1c(C)cccc1C 1748901291 WDKOXASAZFKIFC-UHFFFAOYSA-N 432.528 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](OC)C(F)(F)F 1748907546 WNWIVWLSEABYBO-BBWFWOEESA-N 428.455 2.432 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1749066255 IXIOZIZVIZPGKX-DYESRHJHSA-N 429.546 2.014 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749367579 MVWUSAHETNNUEO-ZWKOTPCHSA-N 446.502 2.494 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760137743 XGZXDLJECPOMSU-AWEZNQCLSA-N 425.518 2.379 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760142388 AZVGFMFLFUMUTN-CVDCTZTESA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760185088 PILBJSOQRZLBDO-GOSISDBHSA-N 428.558 2.185 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760186683 FJLCXRXQXSRUJV-IBGZPJMESA-N 447.605 2.011 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C(C)C 1760232131 UGACMYMVYCWPNV-UHFFFAOYSA-N 431.610 2.428 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2ccn(C)n2)CC1 1760264704 WHHROXVFCCULDU-UHFFFAOYSA-N 439.951 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(N(C)C)CCCC2)CC1 1760269843 PXVLWURNRGBZCR-FQEVSTJZSA-N 442.608 2.360 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1760348562 CKLCUIXGLJBLCR-UHFFFAOYSA-N 449.559 2.305 30 10 IEEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(=O)(=O)NC)CC1 1760388312 LQINZHYBXGJPAB-UHFFFAOYSA-N 428.518 2.306 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C)C1=O 1760499441 YNZSQBPQYHCYQS-XMMPIXPASA-N 436.560 2.114 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760532047 JKWCPAIAWHUSIE-UHFFFAOYSA-N 426.565 2.190 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1Cc2ccccc2O[C@H](C)C1 1760555479 GNORBOZIRAXGQV-SJLPKXTDSA-N 432.546 2.170 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCC2CCOCC2)CCOC1 1761291780 ONJYVZFGZCUGBR-DENIHFKCSA-N 433.553 2.254 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cc(F)ccc1F 1761492538 DIXMDEVBQWENNR-YJYMSZOUSA-N 438.504 2.345 30 10 IEEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCn1cc(Br)cn1 1764920602 LPXZGWNVOUHNOZ-KRWDZBQOSA-N 447.385 2.456 30 10 IEEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766864433 ALAAYRYCWAFNKM-NRFANRHFSA-N 445.527 2.192 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1767958793 BQRANYNCKQXXCX-RBUKOAKNSA-N 427.505 2.068 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1770501196 GPWDULQWDIZYDB-QHCPKHFHSA-N 438.532 2.474 30 10 IEEE CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1[C@H]1O[C@@H]1[C@@H](O)CCc1ccccc1 1848436419 AUZRKBBJJLRSGR-QVAJLHNWSA-N 431.573 2.358 30 10 IEEE CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1 1852500076 GWMZUKMHORMPDF-MSOLQXFVSA-N 440.500 2.415 30 10 IEEE CCCN(C(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852514486 YHRXFIUOIONMDU-KRWDZBQOSA-N 436.516 2.218 30 10 IEEE COc1ccc(S(=O)(=O)N(CC(=O)N2CCC3(CC2)C[C@H]3C#N)c2ccccn2)cc1 1852925534 MOMXPANZGQKUKW-KRWDZBQOSA-N 440.525 2.438 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C1=O 1857146522 ORUYCXRGNVKAGL-KRWDZBQOSA-N 445.310 2.217 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccccc2F)n([C@@H]2CCS(=O)(=O)C2)n1 1870005180 ZUIFNTNRJPRRQF-MRXNPFEDSA-N 433.509 2.136 30 10 IEEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCOCC1 1870590247 STAKROBANRUALS-UHFFFAOYSA-N 443.456 2.220 30 10 IEEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N(CCO)CCCC)ncnc21 1873595635 LERIWMHVHKEFLH-UHFFFAOYSA-N 425.537 2.233 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874313187 IHJLPAXRAANHHA-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1OC 1874338071 RTPADOHTTGRSJY-SBUZPKSBSA-N 431.518 2.158 30 10 IEEE C=CC1(NC[C@H](CC2OCCO2)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1883432618 FJYYTVXEKAJELX-HNNXBMFYSA-N 427.542 2.408 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3c(Br)cnc4nccnc34)C2)c1 1889758774 ORUITSBSLFHNDV-LBPRGKRZSA-N 425.246 2.347 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1890082974 ZHBCCZFADAREHP-UHFFFAOYSA-N 426.536 2.348 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)CC1 1890194499 XLLLNJURBVVZTF-UHFFFAOYSA-N 427.589 2.331 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cn3cnc4ncccc4c3=O)cc21 1891331230 DJIRVOKAWYSJCF-UHFFFAOYSA-N 433.468 2.368 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 1892006214 SXVHQUYHJKQVMZ-LBPRGKRZSA-N 441.282 2.482 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCOC1 1964925956 VRNSDSOILZPCCA-HKBOAZHASA-N 442.560 2.400 30 10 IEEE C=CCC1(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CN(C(=O)OC(C)(C)C)C1 1993309428 OYRIPBICMRATDN-CQSZACIVSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2060825969 OLRPLJMFMSFHPY-LEWJYISDSA-N 441.576 2.212 30 10 IEEE CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124536353 QSLNHZVYZRDORZ-MSOLQXFVSA-N 446.353 2.319 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2COC[C@H]21 2224130572 FIVMAWKMJPTCTA-BBWFWOEESA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917974 GRFMAKLCMQKZOW-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE COCCN(c1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C1CN(C(=O)OC(C)(C)C)C1 2254805688 MLPJTGSABFTZRI-UHFFFAOYSA-N 433.358 2.453 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255541310 ZRHWXSTVJMSWMN-RHSMWYFYSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255635945 NQUYMLYPNVZRTM-UHFFFAOYSA-N 449.382 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255841832 IWSQQDPKJKMWBV-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2256925052 YUBVOAXXZICVIX-KDOFPFPSSA-N 429.278 2.367 30 10 IEEE COc1ccc(CNC(=O)CN(C)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264096203 OQMFEGRQKARRND-UHFFFAOYSA-N 434.342 2.478 30 10 IEEE CC1(C)OB(c2ccc(F)c(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c2)OC1(C)C 2266984744 NIZCRMPGWCCMQE-QWHCGFSZSA-N 442.218 2.113 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CN(C(=O)OC(C)(C)C)C1 2267137795 PLWLNCWPBBBZIF-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 2267145021 BDCMZEAFWHXOOR-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267183568 OKMLLIJWTJQHCC-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1c(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267195547 ADCOZKXDCHFTTF-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267236790 FVTKMGSUQMCRLT-ROUUACIJSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2267495699 PBZDQZBQBMKRJY-DMZKTXOQSA-N 447.316 2.259 30 10 IEEE CN(CC1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2267520935 PHPISVFJGQKWQE-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](C)N1C(=O)OC(C)(C)C 2267549710 OXAOAXRBQIYJKR-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268631868 DJCDESCKSYTSCA-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c2F)OC1(C)C 2270601101 UOUJKFVXBGJXRZ-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE Cc1nnsc1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282830472 UWDOFAICKOZXIP-UHFFFAOYSA-N 435.789 2.339 30 10 IEEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2296228133 VZKVWBXYLUJUBA-HLIPFELVSA-N 439.350 2.433 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](COCc2ccccc2)C1 2315538234 GOUILRMORVQYTG-SFHVURJKSA-N 425.338 2.398 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CC(NC(=O)OC(C)(C)C)C1 2337204962 RZCGKWXLHMYBMC-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(Nc1ccc(C#N)cc1Br)C(=O)O 2350234844 XPZSSVBEPKSLTR-GUYCJALGSA-N 426.267 2.480 30 10 IEEE C=CCN1C(=O)[C@@H](C)Oc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc21 12232282 TWFAIESTZDGDEH-CQSZACIVSA-N 429.498 2.489 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccccc3F)n2N)c1 20528177 HEMLXXLQJFSIDX-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 21655824 HDTNYBSLCMPFMK-UHFFFAOYSA-N 443.529 2.299 30 10 IEEE C[C@H](/C(N)=N/O)N(C)C(=O)c1cc(Br)ccc1I 235156976 PMGXFKMTCVWYRH-ZCFIWIBFSA-N 426.052 2.261 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3(C(=O)Nc4ccccc4)CC3)C2=O)cc1 426405005 PIXOCZYLRVZXSS-SFHVURJKSA-N 431.452 2.051 30 10 IEEE CCC1(CC)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 464349036 XAGGJLYNOGEHQK-GOSISDBHSA-N 432.546 2.052 30 10 IEEE Cc1nnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)o1 468215304 LCBVOOIDMYUMBL-UHFFFAOYSA-N 437.481 2.063 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)cc2F)c1 473676145 LWABROMYPPSWDA-LJQANCHMSA-N 426.448 2.381 30 10 IEEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481252227 GXDOKUIWLGUWCU-IRXDYDNUSA-N 443.525 2.063 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 481916591 DQCWASPSFKEHCU-KNBMTAEXSA-N 446.598 2.486 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 482777532 DSZFUQNEIYUXCI-GHTZIAJQSA-N 430.545 2.265 30 10 IEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508474866 WCBWRFZMOOECJI-LSDHHAIUSA-N 440.483 2.275 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508630866 OPMMKLPWUWNRHD-LEWJYISDSA-N 433.512 2.052 30 10 IEEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 560678591 JGGJNQZZLSVLNT-UHFFFAOYSA-N 436.553 2.240 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N(C)C3CCCCC3)cc21 586358380 QXPIBBBATADJME-PMERELPUSA-N 432.542 2.321 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 589247455 NLOQTKNWYOMFET-UHFFFAOYSA-N 434.504 2.319 30 10 IEEE CN(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 604458952 REGVMRQQDVZTLD-UHFFFAOYSA-N 432.590 2.340 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2ccccc2S(N)(=O)=O)CC1 682370278 XAPRSEZWJOHDFP-QGZVFWFLSA-N 448.614 2.121 30 10 IEEE Cc1cccc(NC(=O)[C@H]2CCCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C2)n1 725766644 FGEXXMYWKGFDJL-MHECFPHRSA-N 446.511 2.337 30 10 IEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c1C 728557348 KDKBDXYBVYSZAE-GOSISDBHSA-N 427.570 2.255 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(Cl)nc1 743728651 URETXGMIMHJMCT-UHFFFAOYSA-N 436.880 2.284 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCc4ccccc43)n2C[C@@H]2CCOC2)CCN1C1CC1 752849318 UBQSVQCWORBHMP-UGKGYDQZSA-N 447.587 2.444 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CN(C)C)C(=O)O 757427000 BCJAMDBBDWLUEO-VXKWHMMOSA-N 449.507 2.048 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)CC[C@H]2C)cc1OC 762508917 OUZGUZQMRNQCHM-MRXNPFEDSA-N 426.535 2.260 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 763607983 VIQWEQJYUNDKGD-ZACQAIPSSA-N 443.552 2.214 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cc1C 766406363 PTNMPNAKVOLLMU-IBGZPJMESA-N 440.573 2.293 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCCNc1ccc(C#N)cn1 767242171 BBNXLNLPXFYFRX-UHFFFAOYSA-N 437.319 2.270 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCC(C)(C)O)C1=O 774287919 XUTLFQWTAMUVME-MRXNPFEDSA-N 442.532 2.125 30 10 IEEE Cc1cc(C)cc(OC[C@H]2CN(CN3CCN(c4c(C#N)c(C)nn4C)CC3)C(=O)O2)c1 788044254 LPTADGKSHNZIBS-HXUWFJFHSA-N 438.532 2.196 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(C)=O)c3ccccc23)n1 788695105 DOVFLGOWYMJJPJ-UHFFFAOYSA-N 440.525 2.465 30 10 IEEE C[C@@H]1CC[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 795184722 WRZXNNHHHGOAKP-DDUZABMNSA-N 432.546 2.213 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CO[C@H]3CCCc4ccccc43)CC2)o1 797491486 CTOKNOOSHSTFDJ-FQEVSTJZSA-N 438.484 2.141 30 10 IEEE Cc1cc(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(C)n1Cc1ccc2c(c1)OCO2 798743572 BJLXDTOZROZQNP-HNNXBMFYSA-N 435.440 2.332 30 10 IEEE CC(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802671284 RULUMXHSFJAKNN-SFHVURJKSA-N 428.562 2.181 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)[C@H]1CCS(=O)(=O)C1 813797982 XRRYQAZOJSRYNF-IRXDYDNUSA-N 439.578 2.141 30 10 IEEE CC(C)N1CC[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](c2cnn(C)c2)C1 849518957 UAXXMMNWGGTZGR-VXKWHMMOSA-N 435.576 2.286 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 914679031 QOSCTOAWCSWGEP-QFBILLFUSA-N 440.477 2.213 30 10 IEEE CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775342 RIIDZRAPQSEFAZ-GOSISDBHSA-N 431.539 2.056 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCC(=O)N2 918659707 RYLMFSFCUPKIQB-INIZCTEOSA-N 442.497 2.109 30 10 IEEE COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(OC)c1 1131247945 DOEFWZOYLFWRMZ-IBGZPJMESA-N 430.482 2.417 30 10 IEEE C[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1131774880 LGEMTDUINDKLCP-MRXNPFEDSA-N 426.517 2.105 30 10 IEEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CC(C)(C#N)C3)C2=O)cc1 1169871933 DRWXZSUKNNCBRD-LICLKQGHSA-N 428.514 2.083 30 10 IEEE C#CCOc1cccc(Cl)c1CNc1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1 1179559843 YCKIKHWZGGGKPO-UHFFFAOYSA-N 432.893 2.288 30 10 IEEE C#CCN(C(C)C)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1213811608 SOLKIOIRZFCSRF-UHFFFAOYSA-N 435.283 2.419 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1221808210 QLNPSLAJVLXHAD-STQMWFEESA-N 436.358 2.345 30 10 IEEE C=C(C)COCCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1223738224 FVVNHDVVFQSFMS-VWKPWSFCSA-N 425.526 2.067 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1286364585 FJYUHHRCDYLOEQ-QFIPXVFZSA-N 427.574 2.231 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1286389270 HAZKINAFDBGOQI-KZNAEPCWSA-N 431.537 2.413 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cc(C)nn2C)CC1 1286472258 RLILJNGIUQJQPN-GOSISDBHSA-N 437.523 2.403 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1286648345 OEDYHNXSLZSOJG-UHFFFAOYSA-N 440.523 2.434 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1286706022 JCBIAJLHHASCMR-UHFFFAOYSA-N 427.553 2.033 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCN2CCC)C1 1286812757 SOVPYOAPKVGCHL-UXHICEINSA-N 430.597 2.446 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)CC1 1288983524 UUUJOROCDCXCHZ-UHFFFAOYSA-N 443.939 2.372 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(C(=O)N(C)C)c2)n1 1289987796 CYPKKDBGXVMXLI-FQEVSTJZSA-N 445.527 2.322 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1Br 1290434853 WMBLQVUNGZFTRY-UHFFFAOYSA-N 426.274 2.315 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccnc(OC2CCC(C)CC2)c1)c1cc[nH]n1 1293546068 ISPRFWYBODWZDM-UHFFFAOYSA-N 443.504 2.362 30 10 IEEE O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc(C#CCO)c1 1293973199 BJKSWYLQXPHDAY-UHFFFAOYSA-N 432.567 2.239 30 10 IEEE CCCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c(C)n1 1294157912 ZXZHZUQIDZZXAA-LAUBAEHRSA-N 428.516 2.415 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1297206883 GIIMPLSTQBPYBV-QFIPXVFZSA-N 425.537 2.225 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCOC1 1298133048 KKSQCHRJMDQDPQ-MOPGFXCFSA-N 446.502 2.398 30 10 IEEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C(=O)OC 1299178603 HIJBPHJSLLYJKJ-IBGZPJMESA-N 434.558 2.002 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](c2ccccc2)C2(CO)CC=CC2)cc1 1300188128 CQYLJZCUMFPNPB-OAQYLSRUSA-N 425.510 2.023 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(CC)CC 1300466601 YPZBWMJHDKJUOK-QZTJIDSGSA-N 434.585 2.386 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1300503558 DOWOQDVIFJQJNV-KRWDZBQOSA-N 445.932 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300544705 CJCCRZQFOHFQQT-RTBURBONSA-N 438.601 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2csc([C@H](C)OC)n2)CC1 1300697612 FKKZLDPYAYTLKD-FUHWJXTLSA-N 430.578 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN2CCC)CC1 1300724967 DTVFGFSNZGBOBS-SFTDATJTSA-N 442.608 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F 1300779611 ZCKDJNJVKZRXLM-GOSISDBHSA-N 431.434 2.423 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301174685 SUNJUBPAPAYIAJ-BOSXTWCSSA-N 441.598 2.017 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301193994 DMJQCSZPDWGSSA-HXUWFJFHSA-N 430.597 2.305 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1301363485 USNYSYNZNCTWIZ-YVORESIASA-N 442.632 2.203 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)C1 1303947357 OUPRZPOKXHOHGU-AUSIDOKSSA-N 438.532 2.104 30 10 IEEE Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C)c1 1304332371 FWYCIKUCMFOMHG-JXFKEZNVSA-N 434.541 2.190 30 10 IEEE C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1308052278 PEQQBKQPUCARNK-UZUQRXQVSA-N 428.533 2.275 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1313895617 JUJDOIWXFOHDOY-IBGZPJMESA-N 430.578 2.172 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4cccc(C#N)c4)nnc3N(C)OC)cn2)CC1 1313933476 LGBMBPRUPMUZQC-UHFFFAOYSA-N 432.532 2.400 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1 1320187407 PSTNYJSOARUJAQ-MRXNPFEDSA-N 434.562 2.043 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc3c2NC(=O)CO3)cc1 1357544833 SXRZYCVLLCFEFL-HAVVHWLPSA-N 428.470 2.083 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1358879930 ATOFEDWEWLMWAT-INIZCTEOSA-N 444.967 2.229 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1358886654 IMBMXVMGBFAKAG-UKRRQHHQSA-N 436.438 2.266 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)N(C)C 1358941405 JADNBXIAIIGQDG-GOSISDBHSA-N 427.530 2.314 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1358962007 ILUPQZSQDADLNR-UZLBHIALSA-N 434.587 2.142 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCN(c2ccccc2OC)C1 1359022510 CKLAIXDXWAWTNS-IBGZPJMESA-N 447.543 2.356 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCCn3cc(C)nc32)n1 1359028175 JPXWNKXIABOBCD-IBGZPJMESA-N 436.564 2.406 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1359113944 UGQBDYGCJICHLD-QGZVFWFLSA-N 425.599 2.450 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359122397 PZHOXJDEVBQJHM-CQSZACIVSA-N 425.505 2.241 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125942 ZXQFVQHGTUTSIT-IXDOHACOSA-N 445.568 2.181 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359228802 OSFCLVWGTIXKHY-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1N1CCOCC1 1359280081 CWZRIQDWSUPOFZ-UHFFFAOYSA-N 437.548 2.202 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCc1nccs1 1359300363 AFHTVZCPPKNPGF-QGZVFWFLSA-N 440.529 2.228 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359331572 CVCITFGHYOGAGL-QGZVFWFLSA-N 437.610 2.135 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3cccs3)CC2)n1Cc1ccc(C#N)o1 1360244527 ROMBZFNJUVBBQX-UHFFFAOYSA-N 439.545 2.313 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1360476942 SULIYHBVNGNSJV-BEFAXECRSA-N 436.472 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3csc(C#N)c3)CC2)CC1 1437852737 GQCWAWXGUSWBHE-UHFFFAOYSA-N 433.534 2.050 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc2cccc(Br)c2[nH]1 1455584638 FBVYSMTWQQEORM-UHFFFAOYSA-N 448.302 2.393 30 10 IEEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1Br 1458023509 WOGAAMKCNFMDSX-SFHVURJKSA-N 443.345 2.340 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)OC)c2ccc(F)cc2)s1 1464433728 BBAMKBPDEXLWGK-MRXNPFEDSA-N 440.518 2.315 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)C2)C(=O)C1 1467268001 YHFICSAEOIPGNT-VOLVWJTLSA-N 430.549 2.387 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCc3c(sc(N)c3C#N)C2)CCCC1 1472225099 WMHYXRWYAPKNKW-UHFFFAOYSA-N 426.546 2.180 30 10 IEEE C#CCOc1ccccc1NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1476431015 NHXUKNPPIAPZQU-UHFFFAOYSA-N 426.477 2.404 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cs1 1492676501 HHXUGOBQWFAKTL-HXUWFJFHSA-N 443.577 2.046 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1497089386 WKMSKVNRZPBFRU-OAHLLOKOSA-N 440.426 2.477 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507591014 ISVXSYNZNLFURR-MRXNPFEDSA-N 432.496 2.187 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCO[C@H]1CCOC1 1507643916 WEWDHCZVYQNNDM-KRWDZBQOSA-N 446.349 2.315 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCn1cc(Br)cn1 1507711610 FLNXRQGQKQIFSR-UHFFFAOYSA-N 444.337 2.009 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)[C@H](C)CC)CC1 1507723680 QKVWGEPSXXQCFK-OSPHWJPCSA-N 449.559 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2cc(C)cn2)CC1 1507734382 LATWZPUDIALDRC-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1507778571 FMZTXXFNQHPVPL-GOSISDBHSA-N 445.365 2.423 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1507889667 XXBMYQDFNJWTBM-UHFFFAOYSA-N 438.576 2.486 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1507988153 PZOLXJZQCYLLRV-OAQYLSRUSA-N 438.594 2.441 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1508062598 KYMPTCWYSPZABI-UHFFFAOYSA-N 426.546 2.173 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)cc1 1508103906 HOFQAEWHKFNRDO-OAQYLSRUSA-N 433.516 2.482 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1508137660 PHLYVXCHKSNDAA-MRXNPFEDSA-N 429.546 2.263 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1508166506 AHAVYYKGHXSGIT-KRWDZBQOSA-N 438.623 2.072 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCOC[C@H]3C)CC2)c1C#N 1511661201 CSEUMCVCYOEJLD-MJGOQNOKSA-N 440.596 2.389 30 10 IEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CCC1 1515979255 OZGPZUXPZGYUMO-SFHVURJKSA-N 438.532 2.260 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1519506327 GTMALWVXSPIWMG-FXAWDEMLSA-N 433.509 2.413 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC(=O)N2CCCCC2)c1 1521074793 CVMVHEOAGWRPMK-LJQANCHMSA-N 449.559 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)[C@H](C#N)C1 1532607804 QSDWICPDPDRNID-LLVKDONJSA-N 430.383 2.043 30 10 IEEE COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1F 1532961708 ADVODXQCUHTCKG-ZDUSSCGKSA-N 449.460 2.210 30 10 IEEE C#CCCN(CCOC)C(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1533858930 GWZAXVSLWMBXRB-LJQANCHMSA-N 434.334 2.476 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1534101708 WAFVENUMLKNJAH-YOEHRIQHSA-N 449.898 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1539259866 JGWPOGINAZMRHI-OALUTQOASA-N 444.539 2.299 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 1539266897 VCQIJHXKBYYZDU-DLBZAZTESA-N 446.960 2.374 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC(C)C 1539361890 IEAFDZSURSIGHR-UHFFFAOYSA-N 442.545 2.387 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539505418 JYKOHGJWUJELBZ-OAQYLSRUSA-N 446.598 2.335 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1539506652 VQWAOGSGJXIBPX-UHFFFAOYSA-N 425.558 2.427 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540752995 SPVFCPAKCSFBQO-ZWKOTPCHSA-N 437.585 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1540868706 ODYCGPVROWGDOJ-UHFFFAOYSA-N 437.504 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540903065 XTYVRMMOGBCDSJ-RBUKOAKNSA-N 448.593 2.467 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1540916898 JHMWRRXKYNJPJU-MRXNPFEDSA-N 426.608 2.106 30 10 IEEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1541244527 HLUFXRJYESIBPN-UHFFFAOYSA-N 445.527 2.335 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1546397411 HHHIFVNGKNMQDD-KRWDZBQOSA-N 439.495 2.090 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1547899536 CZNGIVXZLRMRBV-UEVCKROQSA-N 444.580 2.319 30 10 IEEE CCOC1CC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1548014030 DSAYREOBJAQSMD-ZLPCBKJTSA-N 438.598 2.224 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)c2c(C)noc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367818 PPAULUUZDCXWKG-MRXNPFEDSA-N 435.406 2.259 30 10 IEEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1557384259 LFBOBUAMTWLZEG-FQEVSTJZSA-N 431.514 2.279 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1558464489 HAEHSWKCYNXJMT-SFHVURJKSA-N 425.514 2.134 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1561829026 HIOXFFXFLNXJDH-IBGZPJMESA-N 438.546 2.462 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cccc3c2NC(=O)CO3)n1 1584411961 IKIHPYFRMSSZSV-UHFFFAOYSA-N 428.499 2.383 30 10 IEEE CC(C)OC(=O)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1584952508 UUEVHVYUGSOHDE-ROUUACIJSA-N 428.489 2.246 30 10 IEEE C#CCCN1CCC(NC(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1586803045 VMOPTBOOFZAKIU-UHFFFAOYSA-N 430.553 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1587561978 JOOJCRUHUZYVDT-HOTGVXAUSA-N 428.562 2.379 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H](COC)OC)c1 1587689152 CFBRLVXZMMJLAT-HXUWFJFHSA-N 434.500 2.058 30 10 IEEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1)C(=O)OC(C)(C)C 1587978126 URMGSDHXVCOSNT-UHFFFAOYSA-N 443.591 2.265 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1593752736 PSLAFBXONVTIKM-QHCPKHFHSA-N 425.533 2.187 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1594825387 YUULGFVWMLNNGJ-UHFFFAOYSA-N 438.511 2.112 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595184743 AHIONBHJDLJKGL-INIZCTEOSA-N 446.533 2.313 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1595516925 LWGZUEBNICTBKY-XJKSGUPXSA-N 434.422 2.275 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3CCCCCO)CC2)c1C#N 1612472292 NSNOYKIVXAUGGJ-UHFFFAOYSA-N 440.596 2.414 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1614327891 ABYYNUUEDNXNMI-NQIIRXRSSA-N 431.562 2.381 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1614410749 BFLYKOKFXVKCBZ-CVDCTZTESA-N 438.532 2.260 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3cc(OC)c(OC)c(OC)c3CC2)c1 1616216691 ZGDUJJRUAJNCKG-UHFFFAOYSA-N 437.496 2.443 30 10 IEEE CCOCc1nnc(N2CCC[C@H]2c2ccco2)n1CCN/C(O)=C1\N=CC=CC1=O 1616869804 JLJDDWXWBBUIJD-CVTQAYBASA-N 426.477 2.276 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 1622251705 CFLWSINVCWIFHH-OAQYLSRUSA-N 425.510 2.387 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1cc[nH]n1 1625666597 GHWAUZLVLHIZOV-ZWKOTPCHSA-N 428.489 2.194 30 10 IEEE COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)CO 1627548517 LBRBEPXGEHTFBI-SMDDNHRTSA-N 428.283 2.024 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 1628896607 FDMBQPPMTMVOTO-HXUWFJFHSA-N 448.608 2.134 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1c2ccccc2C[C@H]1CO 1632535605 QUVCZWHFYDQEJT-KRWDZBQOSA-N 427.526 2.236 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(c3ccncc3)CC2)s1 1632697207 IAACSSROZSEGCE-UHFFFAOYSA-N 434.587 2.183 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1 1636915634 JWORCZGVPAMJFB-IBGZPJMESA-N 429.517 2.078 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCN(O)C1=O)c1ccccc1Br 1637465647 ZRRFJAPODZTUTB-STQMWFEESA-N 428.283 2.121 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1639607973 DOTPBXQLGFQFMR-HYNUJMTDSA-N 440.500 2.210 30 10 IEEE CSCC[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1642539445 BJOULSZEWHETFK-VAMGGRTRSA-N 440.569 2.478 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 1643888416 KNVWZCFMXXGJTD-NRFANRHFSA-N 426.542 2.001 30 10 IEEE CCCN(C(=O)[C@H](C)N1CCC(Nc2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1644004446 RVABDILAYNBXLX-FXAWDEMLSA-N 432.590 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(Cc4cncc(C#N)c4)CC[C@H]32)CC1 1646178345 NOVIUOZKKBVFHJ-WOJBJXKFSA-N 440.548 2.321 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2 1648291584 LKGJGVBCNNUUDI-CYBMUJFWSA-N 448.545 2.327 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc21 1664929062 HOQCEIGRIXGFGX-UHFFFAOYSA-N 442.520 2.423 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)sc(C)c1Br 1666604303 QOMFDMZYZPBBCD-NSHDSACASA-N 428.395 2.491 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)n1 1671957099 PQOUIHPTFYKPRU-UHFFFAOYSA-N 444.536 2.470 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1686056270 VBCSROZAISTTHU-RTBURBONSA-N 427.505 2.475 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](Cc3ccccc3)c3nccn3C)CC2)c1C#N 1686945491 WAFBUOJGZNZSNX-FQEVSTJZSA-N 432.532 2.149 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN1c2ccccc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689979777 GZTHXWHEEZVCHC-ICSRJNTNSA-N 441.601 2.479 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1689982602 QMXVMICXPXBITL-SFHVURJKSA-N 446.598 2.500 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCc2ccccc21 1690003705 VDCOTAJWLXLGOQ-NLFFAJNJSA-N 433.556 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CSC)cc1 1690032889 LOKJUPIHHDMMPJ-KRWDZBQOSA-N 445.614 2.263 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690156184 TWBJDIHAVWHNBZ-GOSISDBHSA-N 432.638 2.337 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690319235 GXEZIQZYTZSSNU-KRWDZBQOSA-N 429.521 2.125 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1690604116 PKPLJLXFXDGVMD-FQEVSTJZSA-N 445.527 2.007 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1690670918 LWHZSITUZAQNDT-GOSISDBHSA-N 448.568 2.127 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1695034641 SMBKXDLIMAURRD-QHCPKHFHSA-N 432.532 2.484 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1696441081 RDZVKPUYCCZDCV-UHFFFAOYSA-N 434.548 2.066 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1696995868 GEMZYJGORIPSPX-PGRDOPGGSA-N 440.548 2.362 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1697833566 UJSPTGVKLAXUSA-UHFFFAOYSA-N 449.515 2.481 30 10 IEEE CS[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1698348415 DUMFTFQYRZOPLV-RHSMWYFYSA-N 430.582 2.121 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705555915 FFYPNPCFRQCPEM-UHFFFAOYSA-N 444.561 2.206 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705565869 JSAQFJGFWFPBPW-MOPGFXCFSA-N 445.589 2.458 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1705568014 FOMAEUKPQIWXEF-HXUWFJFHSA-N 442.585 2.464 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1705569495 DFQMUJZGKYSROM-AVRDEDQJSA-N 448.589 2.221 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CN(CC(C)C)CCO1 1705578547 WZVNOUGXUNFRCO-HXUWFJFHSA-N 435.528 2.103 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1705612953 SZVXYQIQUBGHJD-GOSISDBHSA-N 443.573 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1N(C)CCCC1(C)C 1705630474 UUDNFZWQNZZIBX-FQEVSTJZSA-N 427.597 2.346 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1705652010 NJJINSBOTYDJLU-UHFFFAOYSA-N 442.589 2.118 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705751229 DRDNDYKJHBLBPD-QGZVFWFLSA-N 429.956 2.226 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCS(C)(=O)=O 1705860285 FPLZKYOHRFGBBC-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705900387 AXSQGUXEJQPVKM-HSZRJFAPSA-N 436.491 2.188 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H]1CC 1705900589 JDAYUIYTZCZHPY-DOTOQJQBSA-N 445.593 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705931649 WPXWRIZECARLQI-QZTJIDSGSA-N 442.589 2.336 30 10 IEEE CC(C)c1ccccc1OCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1706266663 AOZVGQCTZAMHOP-SFHVURJKSA-N 438.532 2.332 30 10 IEEE CC(C)OCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1706699277 GWZXQBLKEPEYLD-UHFFFAOYSA-N 433.520 2.143 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1722366581 IVYVWHTUBFORCF-ROUUACIJSA-N 440.635 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCNc2ccccn2)CC1 1722445731 BGAPSZFNJGLCOY-UHFFFAOYSA-N 444.543 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@](C)(O)C2CC2)CC1 1722448911 CMQPQIYGCLVKOR-VWLOTQADSA-N 435.572 2.190 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1722474993 RIOOLAZAQPEQMU-USCONSEESA-N 446.548 2.219 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1722689999 CLPDONMIHIWVLV-IBGZPJMESA-N 445.527 2.297 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(C)(C)OC[C@@H]1C 1722706284 QDDJHTLQMAWQOU-INIZCTEOSA-N 429.521 2.172 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1Cc1ccc(C#N)o1 1723933853 QBNDPENFOMVSIT-RDJZCZTQSA-N 440.529 2.395 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1728207051 FSXPFOKKKVVOCI-FQEVSTJZSA-N 437.548 2.244 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)Br)CCN1C1CC1 1731188267 DCEPUDWZICQNBJ-OCCSQVGLSA-N 445.312 2.336 30 10 IEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)CC1 1731188993 IASWRZFJJOBNFO-KRWDZBQOSA-N 444.561 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 1740656482 KGBQLKBJPODZAT-AZUAARDMSA-N 444.532 2.170 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2c(C)noc2C)n1 1740688424 FUJZDCJYUYRTRE-UHFFFAOYSA-N 446.515 2.476 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C)cc(OC)c2)CC1 1740688577 GVPOWAPIXHOSGA-UHFFFAOYSA-N 438.576 2.317 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)N(C)C)CC1 1740701717 BKMNQDBAMLBMOH-SFHVURJKSA-N 426.565 2.437 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740722731 IRFJEIBQGTWUFI-RXVVDRJESA-N 445.593 2.118 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740761665 PDXGGBANXQKUOP-LAUBAEHRSA-N 441.580 2.435 30 10 IEEE C=CCCCCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1740866910 RFRBFYLDQXSOBV-UHFFFAOYSA-N 449.625 2.485 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCOCC1 1740894561 YRDOAKVPOXAGKO-UHFFFAOYSA-N 433.578 2.083 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1740897317 BYEQWWTYIYMBOX-KRWDZBQOSA-N 435.532 2.212 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1748761448 YNGMDKMZNSBDCX-SFHVURJKSA-N 438.532 2.319 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1748794423 WITJBFXUTONWEH-UHFFFAOYSA-N 430.556 2.338 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1748811760 KSJYVZQEOYLYIM-IBGZPJMESA-N 443.573 2.174 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2ccccc21 1748826062 LMMZIDZYEXTMHA-IEBWSBKVSA-N 425.558 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl 1748888618 ZXDJLQDAPKDGOU-GCJKJVERSA-N 425.920 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1 1748892319 NNMSDFYUIRQVIU-INIZCTEOSA-N 431.587 2.271 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749047272 SSBIIIREGSVDCN-OAQYLSRUSA-N 445.520 2.394 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1749583838 ACKPBDPRHHUGCC-JOCHJYFZSA-N 432.590 2.261 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCSC1 1749593878 BILDSADBEHNVAW-NRFANRHFSA-N 432.546 2.223 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)C1 1749664694 XBXXYOHIOCOFST-UHFFFAOYSA-N 430.940 2.205 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749721231 DGSXTRKTBKRRID-BZSNNMDCSA-N 435.594 2.130 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1750327430 OOISVAHQPGUILC-IBGZPJMESA-N 440.573 2.397 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)C1 1751277920 QJKSIHKQVWAFHX-WIYYLYMNSA-N 448.593 2.241 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1751296611 LBSUAAYNAJVPCH-VLGSPTGOSA-N 427.534 2.131 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnnn1C 1760102733 PIXCMXPKJFBIFA-GFCCVEGCSA-N 430.310 2.351 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1760110254 CEWOXTQITRCFBT-DLBZAZTESA-N 449.559 2.438 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCCC 1760168077 NBSRLNAOGICECY-UHFFFAOYSA-N 429.488 2.222 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186505 CWSXYBMIAGEWHP-OAQYLSRUSA-N 441.601 2.304 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)CCC(C)C)CC1 1760263401 ZRGAZCCAFRPNPH-VWLOTQADSA-N 449.603 2.459 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)CC1 1760318856 PYDQQKADKGIFCR-KKSFZXQISA-N 441.532 2.270 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760356679 UHOMBIOVLNXYDD-FUHWJXTLSA-N 444.511 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)CC(N)=O 1760514625 BSGLSUCHPJKCTR-INIZCTEOSA-N 449.559 2.355 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@@](=O)C(C)(C)C)C1 1760549422 DMCCXUNKMCTHFX-YVGXBJCXSA-N 434.610 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1760557507 NONQAEJYPOGKRR-MJGOQNOKSA-N 427.530 2.318 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760566412 SRJFKONVQLZXBK-YJBOKZPZSA-N 429.546 2.377 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1ccc(F)cc1 1760687197 GVUGSDUILWFGFA-AWEZNQCLSA-N 436.451 2.299 30 10 IEEE CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1760880884 KWNBHGMWGHPYSR-YESZJQIVSA-N 434.541 2.408 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1761580798 HWOSEHAYCPDIOQ-JOCHJYFZSA-N 437.479 2.427 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1764917302 CVEIYADDSMHAAS-HKUYNNGSSA-N 440.548 2.458 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1769273926 YGBFLMZPHUWSLW-IAGOWNOFSA-N 427.440 2.071 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CN(CC(C)C)CCO1 1770172870 MVOYRPNNBDWTSR-MUGJNUQGSA-N 434.585 2.097 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)OC 1770781333 RXFKTGNOBBTYKQ-GIVPXCGWSA-N 441.532 2.395 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)n1 1849650141 QPVVGYBKKDCMGD-KRWDZBQOSA-N 448.479 2.352 30 10 IEEE C=CCC1C(=O)NC(=NC(=O)c2c(C)nn(-c3cccc(Br)c3)c2C)NC1=O 1851490787 UUNXNIMJAGHEEJ-UHFFFAOYSA-N 444.289 2.186 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(CCC#N)Cc3cccnc3)C2)cc1 1851696295 YRGZJLGGVMDITM-IBGZPJMESA-N 442.541 2.433 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2=O)c1 1853925132 WTMPXMSLTLMNBY-UHFFFAOYSA-N 449.891 2.360 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccnc(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1854458295 LWXGFLAZXBVVNL-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1854562751 OZCJRXQJEZOSHX-UHFFFAOYSA-N 429.473 2.290 30 10 IEEE N#CC1CCN([C@H]2CCCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1855605728 ZJUDICVGFPGJFL-SFHVURJKSA-N 437.949 2.257 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CCN(C(=O)C4CC4)CC3)C2=O)c1 1855847887 VAENUWMAZGUVRO-IBGZPJMESA-N 428.920 2.091 30 10 IEEE N#CCCN1CCN(C(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)C(=O)C1 1856063237 CHCYQVVWRINGTK-UHFFFAOYSA-N 433.295 2.401 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1861776243 QEOKTQSMTWXTIH-HXUWFJFHSA-N 437.471 2.232 30 10 IEEE Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4sc5c(c4C#N)CCC5)cnc32)cc1 1870103710 HEVTZVLKJLNYMY-UHFFFAOYSA-N 445.508 2.405 30 10 IEEE C=CCOc1ccc(-c2nonc2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1873439321 VXCFUFJUCYXSMI-UHFFFAOYSA-N 449.379 2.444 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c(O)c1 1874241268 XYCOHZKJLKAXNE-LSHDLFTRSA-N 443.485 2.127 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1962801297 VWSSCVYSFWCKGA-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(I)cn1 1988515254 JDEUTXJFQMTSTO-NSHDSACASA-N 430.246 2.326 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010149448 CAMNDWVLPDYGJG-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2014241920 QWTDISUOLIKPGB-CVEARBPZSA-N 439.553 2.334 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)C1 2020886562 MVMJQQSISCNPQC-XHSDSOJGSA-N 439.553 2.380 30 10 IEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2023913524 YHSUCRKYOCOTFO-XMMPIXPASA-N 429.561 2.389 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060628681 ZZUBRJRYADIQIS-YOEHRIQHSA-N 434.342 2.223 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060636301 WNMQSAJIICZOKS-IAGOWNOFSA-N 432.326 2.295 30 10 IEEE CC1(C)OB(c2cccnc2N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2224137916 UVPUJAWHLJACHV-QEJZJMRPSA-N 425.260 2.417 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2244995333 LXYUYDDRJFPVNX-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2250703557 RSRUHHSKAUKHJB-QRWLVFNGSA-N 442.387 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)cc2C1 2255618412 ZGPAYKDGOODVLC-HUUCEWRRSA-N 432.330 2.477 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627974 AZVYBGOKFIWERR-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255803295 MDOPHAOFKIHEQO-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267142406 TUGIETWDWWODRY-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267177132 JVRAJNCPBRPNCP-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267279194 IEBVMAXDGPGXQF-BJWYYQGGSA-N 445.369 2.167 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267285241 IGWJRDNBGPHCMK-UXHICEINSA-N 438.333 2.304 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267491405 CPLZMUWDIFZJPM-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE Cn1ncc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2267507453 OLTFUGDDYWRTQD-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCCO1 2268701853 RZEFSLQSWOLMIN-DOTOQJQBSA-N 447.341 2.392 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C 2296281675 NKUCVTUEAGJOAS-MBOZVWFJSA-N 439.350 2.433 30 10 IEEE COC[C@@]12CCN(S(=O)(=O)N(C)C)C[C@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 2297648485 FRRXMHKDROKOFE-QAPCUYQASA-N 446.495 2.158 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cccc(O)c2)cc1 2326655794 SYGCCGJTHUBLNL-UHFFFAOYSA-N 427.486 2.421 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccncc1 2328988590 ICBIVGLWIOXVCW-QGZVFWFLSA-N 443.577 2.240 30 10 IEEE COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331400062 FJQLJVOGSYDZGK-UHFFFAOYSA-N 435.462 2.402 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc([N+](=O)[O-])c2)n1N 20291817 DGLZWGIRHXPOMG-KEBDBYFISA-N 442.461 2.086 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cc1O 21316577 DFZUZONBFASOHC-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE CCC1(CC)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCS1(=O)=O 425968262 SDKCDMAOCCARRW-UHFFFAOYSA-N 430.492 2.462 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)CC1 428778751 DCMPHDUUDYHLAG-UHFFFAOYSA-N 442.541 2.290 30 10 IEEE N#C[C@@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc(N)nc(=Nc2ccccc2)[nH]1 429352600 IUQLXZMCKNXZDO-ZDUSSCGKSA-N 432.394 2.573 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ncc(Br)cn1 432994380 GNSPANYTNGFFAM-DZGCQCFKSA-N 449.378 2.360 30 10 IEEE N#CCCCOc1cccc(NC(=O)C(=O)NCCCN2C(=O)COc3ccccc32)c1 442159614 GHQSYKIAFWYFKK-UHFFFAOYSA-N 436.468 2.240 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 477652534 VCOTWDKPNONENJ-CQSZACIVSA-N 429.502 2.029 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2c(F)c(F)cc(F)c2F)CC1 480548700 CEHWMYWZTIAVML-UHFFFAOYSA-N 427.379 2.261 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)o1 480934237 KHFORWVSYLIFPW-INIZCTEOSA-N 444.553 2.337 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)c1 503646324 XFKFHAJYLWYNJA-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE N#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)C1CC1 505937261 FJZFZEHMWLVRGZ-RYUDHWBXSA-N 432.365 2.330 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1cnc(OC)nc1C 506959532 CSOBLVQPQDOYMB-KRWDZBQOSA-N 443.485 2.058 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cs1 511189020 VXCKPUMAWITRLG-UHFFFAOYSA-N 434.518 2.027 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCC(=O)OC)c2=O)s1 518199552 DHCOJKPPJAMWDG-UHFFFAOYSA-N 444.578 2.359 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C[C@@H](C)C#N)C3CC3)CC2)cc1OC 532821724 XMMSTLATZGZGTF-HNNXBMFYSA-N 435.546 2.255 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCOC2)c1=O 538670938 RVSMSHZWWMZOKJ-OAHLLOKOSA-N 426.513 2.266 30 10 IEEE COc1nn(C)c2nc(C)c(CCC(=O)N3CCN(c4cccc(C#N)n4)CC3)c(C)c12 544833999 RHVYQWLZEUOCGQ-UHFFFAOYSA-N 433.516 2.142 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 570367133 MSRINYYRMXJRJO-XMMPIXPASA-N 449.559 2.231 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CCc1cccs1 571191310 SZLIMEXZGRNTQY-KRWDZBQOSA-N 439.607 2.318 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1 589627453 WRYUUMUHGRYTKB-UHFFFAOYSA-N 431.514 2.087 30 10 IEEE CN1CCC[C@@H]1[C@H]1COCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 590400373 FWRIXSRQTSSYKX-RTBURBONSA-N 439.516 2.344 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 612206219 YLSQWQGNPHCFCT-LJQANCHMSA-N 429.498 2.375 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 728831242 SUNALWAKDJGDRW-UHFFFAOYSA-N 429.498 2.424 30 10 IEEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@H]1CCCO1)c1cccs1 730144384 KJHNCPHLUJCDHU-UEIGNCFHSA-N 438.619 2.356 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2F)c1 732707174 WQCNDMQVNRQYJK-FQEVSTJZSA-N 447.470 2.414 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC23CCC(CC2)C3)cn1 756872509 ZBKZVWUAKKHTLO-OJCRERRGSA-N 446.621 2.483 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757898237 NNLVCKJNOIRLRQ-OJXHRBAXSA-N 435.502 2.006 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC(F)F)sc(=Cc2ccoc2)c1=O 775664383 NAQUMFRVEVQKTJ-UHFFFAOYSA-N 426.400 2.123 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2c(F)cccc2Br)c1 795326978 AFLWNJPPZUINHQ-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 796097243 REOSQMNSNPAVHR-INIZCTEOSA-N 429.454 2.464 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)c1 799770508 AIJWMNCSXXVDRJ-LJQANCHMSA-N 437.521 2.163 30 10 IEEE C#CCN(C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCOc2ccc(Br)cc21 801516782 DMHKJXBSLQTRBZ-RHSMWYFYSA-N 427.364 2.489 30 10 IEEE C[C@H](CC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)/N=C1/NS(=O)(=O)c2ccccc21 802321542 AUPADTNWPXPQPG-PVAVHDDUSA-N 441.557 2.174 30 10 IEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC[C@H]3CC[C@@H](C#N)CC3)cc2)CC1 809088999 LPSBUFLNXCBUHF-HDICACEKSA-N 433.530 2.026 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 825435999 DKMHPNQNRNCZND-LFIXQJEJSA-N 425.466 2.292 30 10 IEEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2cnn(C(C)C)c2)n1 1084565326 HOWZDBSMPBTVTB-UHFFFAOYSA-N 428.522 2.445 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1124734823 IYPPVBVSMVJWRE-ZNBBLSJYSA-N 445.497 2.039 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1131371050 YIDZKHUTXMHLPN-UHFFFAOYSA-N 438.509 2.186 30 10 IEEE N#Cc1cccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(F)(F)F)c1 1132899637 NLMWOGRAENYYCB-KRWDZBQOSA-N 430.394 2.027 30 10 IEEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)c1ccccc1 1135775863 PIZPGAVUHRFLDE-KRWDZBQOSA-N 434.539 2.337 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)COB2O)[C@@H]1CCOc2ccc(Br)cc21 1136804637 HQSJCAPIHBUDBL-GOSISDBHSA-N 426.075 2.266 30 10 IEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1146221551 SLWUZLUKVLWURN-UYAOXDASSA-N 446.548 2.106 30 10 IEEE C=C[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1148559721 XDNKKEVGWSMVIG-RYUVBPIJSA-N 436.508 2.424 30 10 IEEE Cc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCN(C)C 1161285112 RAQBIPRGMIXAQO-UHFFFAOYSA-N 444.557 2.393 30 10 IEEE C#CCn1ccc(CN(CCOC)C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)n1 1169917234 FFSRTKDGJPTBOJ-NZQKXSOJSA-N 432.565 2.381 30 10 IEEE C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)c1ccc(-c2cccc(C#N)c2)cc1 1233981001 BJPDEIMFCCXCGC-IERDGZPVSA-N 427.526 2.477 30 10 IEEE CCN(CC)C(=O)[C@H]1CSCN1C(=O)COc1cccc(Br)c1C#N 1264947372 CKJCZNGMIHWFKW-CQSZACIVSA-N 426.336 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1286293152 MJGYXTQVXHJTJN-CVEARBPZSA-N 428.541 2.027 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC)CC1 1286472525 JFBDWMJVWXYSJX-UHFFFAOYSA-N 429.594 2.102 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286721848 JRWNVZHRYWZILU-NJAFHUGGSA-N 443.552 2.325 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1 1286784182 XZOMQRUTBYMLCW-UHFFFAOYSA-N 426.908 2.295 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286786677 WQVFDZMESNLQPI-UHFFFAOYSA-N 440.596 2.035 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1286790680 JDIQDAOEQPINPT-MRXNPFEDSA-N 433.578 2.380 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H](C)C#N)CC1 1286888759 DOZJQCGLZYTHJG-MRXNPFEDSA-N 429.956 2.358 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC2CC2)CC(=O)N1C 1291279527 PVCNVMKPCKKHNC-QGZVFWFLSA-N 438.532 2.212 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1295144051 GUKWDGPENZHPJV-FDDCHVKYSA-N 436.516 2.303 30 10 IEEE C=CCOc1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1 1297642146 VYUCRBRYTHJMDD-KRWDZBQOSA-N 426.535 2.196 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2nc(CC)cs2)CC1)c1cc[nH]n1 1300134846 FDPNFRQPGUBLMV-UHFFFAOYSA-N 433.534 2.194 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300569905 DFAJEEBHDACPHJ-LJQANCHMSA-N 448.493 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@](C)(O)CCOC)CC1 1300719212 RSJXHLGMNJFIJR-XMMPIXPASA-N 439.560 2.007 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCC[C@@H]1NC(=O)NC1=O 1301346581 FVMANDBXIFMKSJ-SFHVURJKSA-N 433.516 2.464 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1301508700 RDAKNJAROGCDQL-UHFFFAOYSA-N 449.559 2.005 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1301583885 FDJOZWWDSAXUBV-HZPDHXFCSA-N 425.464 2.440 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1301651110 GVWTWTZRJFIKEZ-QUCCMNQESA-N 449.559 2.036 30 10 IEEE CN(OC1CCCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314893587 PCIDSTRHGKKVNS-LZICOFPGSA-N 430.509 2.009 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C1 1316239834 BMVIRLHKGBNFRE-KRWDZBQOSA-N 425.518 2.267 30 10 IEEE COC(=O)c1coc(C(=O)/C(=C(/S)NC[C@H]2CCCCO2)[n+]2cc(O)ccc2C)c1 1341213060 SMXMJIOOKVOPBF-MRXNPFEDSA-O 433.506 2.465 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1358905201 UYXDBZBCMNGTNE-IBGZPJMESA-N 444.605 2.327 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccccc1 1358943894 ZSYDHOJNPKATIE-UHFFFAOYSA-N 430.921 2.041 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1358947598 GDNGTNMTZAEDSZ-KRWDZBQOSA-N 432.569 2.330 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358959397 IETFPJGBFMGYRR-WSTZPKSXSA-N 428.558 2.305 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1359069713 VQXOGHBKDNYYHL-QFHABUONSA-N 431.500 2.167 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1c(C)nn(C)c1C 1359280974 KLUBLRFWEXYJQE-UHFFFAOYSA-N 427.509 2.043 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359299383 DDKPRFAZFVSMSU-DLBZAZTESA-N 448.568 2.268 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(C)CC2)CC1 1360159472 QWCJEBMRZSRIOL-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)n2)c(Cl)c1 1435651074 CIZIDFICBQHURO-INIZCTEOSA-N 434.843 2.477 30 10 IEEE COc1cc(/C=C(/C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc2)ccc1O 1457205605 ZKGOPYAIGPVGFR-DJKKODMXSA-N 444.447 2.159 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(Cc4cncs4)CC3)CC2=O)cc1Cl 1470814982 DVHDKULVVIUXNE-OAHLLOKOSA-N 429.933 2.365 30 10 IEEE CS(=O)(=O)c1ccnc(N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1472891409 FPWPHMFKSZMTGX-KNVOCYPGSA-N 425.301 2.487 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)c(Br)cc1C 1474863387 STGJRZVGXWASCV-NSHDSACASA-N 426.329 2.260 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)cc2C1 1475653968 FIMQTLLRLJIYIY-LJQANCHMSA-N 444.582 2.424 30 10 IEEE C=CC[C@H](CO)NC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1479293252 HAQCPGIACBBIPH-HXUWFJFHSA-N 432.565 2.476 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1499928639 XDAINMQZIJEESJ-UYAOXDASSA-N 449.559 2.228 30 10 IEEE CCOCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503209021 CCGISZNCQYIZEU-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-n2cncn2)nc1 1503591513 YDUNCKMWVSOZKT-UHFFFAOYSA-N 443.515 2.440 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1503793360 UOBMUQFODSOUMT-XXBNENTESA-N 438.532 2.117 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2Cl)CCO1 1505321051 FCTLYZKNOJFAEU-INIZCTEOSA-N 432.887 2.278 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507555905 XCKXKLPARRZFMC-AWEZNQCLSA-N 432.326 2.053 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1507659404 USJVUCGLNKJGDR-BHDDXSALSA-N 440.636 2.296 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCCN1C1CC1 1507660896 GXZYEGAMTMSQBA-XUZZJYLKSA-N 425.577 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1507670085 CAEMKLHVXWUKTP-UHFFFAOYSA-N 445.976 2.021 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCC(C)(C)O)CC1 1507733477 ZXADTWZDYIIPRS-UHFFFAOYSA-N 429.590 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)OC)CC1 1507739387 AXOICASITPKQAC-UHFFFAOYSA-N 443.523 2.387 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808932 VSEGYHWJLMSIQF-JZXOWHBKSA-N 425.599 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507810309 YQPUVPHBSOCVNX-UFYCRDLUSA-N 430.597 2.126 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507856784 CPWVNBQAZGELNW-KRWDZBQOSA-N 437.976 2.200 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1507962712 WJAVWNQZOWJLAW-UHFFFAOYSA-N 425.459 2.402 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1507966371 QQFIGXJLMIGKSZ-JOCHJYFZSA-N 429.496 2.448 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CCOC)C1 1508070934 GPEBBOALKNQJJA-SFHVURJKSA-N 440.548 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCOC1 1508129821 CWWZSFMJHXZCRI-HOTGVXAUSA-N 438.525 2.383 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCn1ccnc1C 1513016387 GEHMUCSWFLGFCT-MRXNPFEDSA-N 436.568 2.237 30 10 IEEE COCCN(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1519109434 BXWGZJDDPDZEPC-SJLPKXTDSA-N 444.605 2.438 30 10 IEEE COCCN(C)CCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1519111949 LQSWPGUZPHDCSZ-UHFFFAOYSA-N 427.553 2.079 30 10 IEEE C=CCn1cc(CNC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)nn1 1536910325 MHHAPIVDOAOWOF-UHFFFAOYSA-N 431.562 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1539003598 DHDWWPBZNHFXMZ-YESZJQIVSA-N 430.553 2.334 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1539013717 JRKYXUPCXLTCJF-FUHWJXTLSA-N 443.552 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC1 1539333369 BPUUEDQVYUYYJG-UHFFFAOYSA-N 444.539 2.056 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NCC 1539551833 BCCGKOIXKMVWKB-JOCHJYFZSA-N 426.521 2.160 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1539731278 ZKAGCDCASPKGKE-HOCLYGCPSA-N 447.552 2.353 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1540020115 GXKSJHLYANKXJZ-HZSPNIEDSA-N 439.504 2.116 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540026869 LBVNTKTURAELEG-UHFFFAOYSA-N 449.563 2.117 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1540047822 MZSUHAZOGKIDQR-MJGOQNOKSA-N 432.594 2.348 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1540094876 SPAZFIKVBVYMJA-UHFFFAOYSA-N 432.550 2.294 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1540152157 QIYIOBZPJOOEQD-RBBKRZOGSA-N 439.608 2.493 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1540185009 JTBPDXJGJDNTKA-UHFFFAOYSA-N 445.545 2.041 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1540863193 QZJIZSDGOCAWQW-AABGKKOBSA-N 431.629 2.089 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOc1ccccc1 1541921963 ZVSCRRGLRLXKJB-INIZCTEOSA-N 432.550 2.097 30 10 IEEE Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542758611 WENKPGMPJYNTFD-AXPGXWKTSA-N 438.507 2.498 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1542828265 KQJGRIRYTXJULY-TZIWHRDSSA-N 433.430 2.408 30 10 IEEE Cc1nnc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543213788 GRWAIFIBJMRQBI-KGNHYALCSA-N 449.559 2.214 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCSCCCO 1544582428 MHYMSVFXZVNSTQ-MRXNPFEDSA-N 442.593 2.038 30 10 IEEE COc1nsc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 1545290087 WMKOIAHVLKRRET-SECBINFHSA-N 431.312 2.499 30 10 IEEE CN(C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1552877184 MUXMPRAYJFTQBK-HXUWFJFHSA-N 426.521 2.109 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1552910218 BAHVGAYHQIEQEA-HNNXBMFYSA-N 443.451 2.367 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC(C)(F)F)cn1 1554333643 QKCVJCGWKHBXKQ-UHFFFAOYSA-N 427.463 2.317 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1555250348 WWSYDWUFNNYSAX-LJQANCHMSA-N 445.483 2.013 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CCO1 1555404288 FGLCZLRPELOXRE-HXUWFJFHSA-N 438.463 2.163 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1555626939 VEWXJGLJVVQNLP-QUCCMNQESA-N 434.585 2.099 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)c3cnc(I)c(O)c3)CCO2)c1 1556071820 VENAIWPRZNQABX-HNNXBMFYSA-N 435.221 2.477 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1556973636 PUWSFRPVKPPJPW-QZTJIDSGSA-N 430.505 2.216 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 1557615668 IGDZIPDPLSHXEQ-QGZVFWFLSA-N 427.309 2.368 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)cc1 1557977501 FSVWNRPVIBQPCI-UHFFFAOYSA-N 440.447 2.341 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCN2CCN(C(C)C)CC2)n1 1584419432 VFAXTEJKHDYRSV-UHFFFAOYSA-N 435.623 2.155 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1 1584503871 GDTQNVGJUWGSIL-UHFFFAOYSA-N 428.510 2.420 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1586184301 ANCRGFKHUYRKPT-AWEZNQCLSA-N 429.458 2.074 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=C)Cl)c1 1587683156 CRRDQPVLVFRYNP-UHFFFAOYSA-N 426.908 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1588074353 MAJVYOYYQOERED-QHCPKHFHSA-N 444.583 2.498 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C(C)C)N1CCOCC1 1588205423 LAISGTQWDXZZSY-NRFANRHFSA-N 449.555 2.494 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCOC1 1588605139 ZVOPGSDBAJGQHY-IBGZPJMESA-N 425.316 2.489 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OCCOC)CC1 1588837360 QVHBJBLAJKULGG-UHFFFAOYSA-N 426.565 2.090 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1589216850 YTOSVUHPYUPVTR-KSFYIVLOSA-N 433.553 2.350 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1593770320 YUFSGQSKONVCOC-GOSISDBHSA-N 444.511 2.145 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1593887162 XFGAKUHQXZKONN-IAGOWNOFSA-N 436.988 2.104 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1594732621 GLAHUOAMEAVLHE-CABCVRRESA-N 435.516 2.219 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1594867763 PQNGJBSQHKLNME-OAQYLSRUSA-N 434.562 2.393 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)O 1595100144 NFFFLEFOGSKPTA-GOSISDBHSA-N 429.546 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(F)(F)C1 1595806045 ZTVRIQDZGBNWGA-INIZCTEOSA-N 440.472 2.237 30 10 IEEE CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603400011 CTYTYNMOFRUPRQ-MSBDTBHYSA-N 428.537 2.007 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCc2cccnc21 1611659257 OTDJNVNHEWRTBU-ZOBUZTSGSA-N 431.566 2.142 30 10 IEEE CCc1nnc(N2CCC[C@@H]2c2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1614013923 LXNULCAXNVHBBW-AMGRQBIBSA-N 427.534 2.473 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCCC[C@@H]2C)CCOC1 1616264044 UHBSZSVMYUNCSX-SXWKCWPCSA-N 446.596 2.314 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(C#N)cc1 1616344098 DLIOMXCMQOAGKD-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1617346493 GRHOSAQLILRJCD-QGZVFWFLSA-N 446.577 2.104 30 10 IEEE O=C(Cn1nc2n(c1=O)CCCC2)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618130837 DBLQFIMMGNPDQF-IUCAKERBSA-N 448.314 2.011 30 10 IEEE N#C[C@]12CN(C(=O)c3cc4c(Br)cncc4s3)C[C@H]1CS(=O)(=O)C2 1618171977 VKYOYXZXVHJPLF-BJOHPYRUSA-N 426.317 2.069 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccncc2)C2(CO)CCC2)CC1 1620452374 GQBNSIRPLFDNCH-KNQAVFIVSA-N 439.585 2.345 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC(=O)c3c(F)cccc3F)C2=O)cc1 1627054661 CCRVPQQOVQQTBL-MRXNPFEDSA-N 426.379 2.041 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2n[nH]c(C)c2I)c1OC 1632985002 MQTDOTPUDKPNIN-SNVBAGLBSA-N 426.214 2.335 30 10 IEEE Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1643949046 CZLZKYKDROKWOI-FQEVSTJZSA-N 438.484 2.113 30 10 IEEE C[C@H](CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1644287847 AWESLFLEFFXSKG-UZUQRXQVSA-N 440.569 2.285 30 10 IEEE CC1(C)CCC(O)(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1646421476 HMNJRFPFJDKXDY-UHFFFAOYSA-N 433.574 2.406 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC2(CCS(=O)(=O)CC2)C1 1648631633 OVEXPITWTMSBBB-INIZCTEOSA-N 437.587 2.299 30 10 IEEE COC(=O)[C@@H](c1ccc(Br)s1)N(C)CC(=O)N(CCC#N)CCC#N 1655373651 PSDCQNDSPPTOHB-OAHLLOKOSA-N 427.324 2.312 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(Oc4cccc(F)c4)CC3)CC2)o1 1659543971 DLZUMWXKXAZFAD-UHFFFAOYSA-N 427.480 2.186 30 10 IEEE Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C2CCCC2)n1 1661362092 HNNXQRFERQDJSQ-SFHVURJKSA-N 427.530 2.423 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2ccccc2C#N)CC1 1685211824 ULADVJRNXUREEQ-UHFFFAOYSA-N 426.542 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1689860756 GZZPMICMEKSPKH-LLVKDONJSA-N 443.861 2.312 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1689993169 XBLAKUCHOQAELP-INIZCTEOSA-N 435.619 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@](C)(O)C(C)C 1690004681 BPJUEHPWYKOVBH-HSZRJFAPSA-N 426.517 2.451 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCCCC1 1690020053 XURNJCPGFBPYAE-OAQYLSRUSA-N 433.512 2.266 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1ccn(C)n1 1690100003 UEYQYWLDHJYXCH-UHFFFAOYSA-N 430.516 2.193 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2COc3ccccc3O2)n1 1690109591 XGQUZWNZYMUPBF-IBGZPJMESA-N 436.516 2.163 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690167164 CRNSLCHXAMBFBJ-IBGZPJMESA-N 443.548 2.278 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)F 1690198228 HSMSATOTAKWERU-OAQYLSRUSA-N 433.459 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCOC)CC1 1690237325 XRUYFGLJHXVQRM-HKUYNNGSSA-N 435.569 2.029 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1690264744 BVXOAIRCOLTOJC-LJQANCHMSA-N 445.589 2.321 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690664487 VKJMRIXOUOOLRE-MRXNPFEDSA-N 443.914 2.216 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2occc2C)C1 1690694640 SFWCJIHVCCETQR-SFHVURJKSA-N 439.520 2.181 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOC1CCCC1 1692787980 RWHZCVUIVCDEER-MRXNPFEDSA-N 438.598 2.368 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1705613507 IJNLRBJBSNRUOK-IBGZPJMESA-N 448.612 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCOCC)CC1 1705650673 WQKZWGMBOAJWOX-UHFFFAOYSA-N 430.578 2.026 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1Cc1ccccc1 1705652328 VWILUYJGBMIDDF-HKUYNNGSSA-N 447.630 2.466 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705820910 DCJYQVIBLDBYNU-UGKGYDQZSA-N 437.592 2.219 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccn2C(F)F)C1 1705914045 FIFTYWFLJYYKPL-CQSZACIVSA-N 444.446 2.347 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1707333757 YCDLFXDOXUGWIX-YADHBBJMSA-N 426.496 2.394 30 10 IEEE CCOCCC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CCC1 1710791493 ZRPDIKHCHSNKON-LJQANCHMSA-N 427.553 2.465 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C 1711085452 HXTIREYJZYATFN-WOJBJXKFSA-N 442.589 2.028 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1711157605 APKULQOZOLQHGB-FQEVSTJZSA-N 437.592 2.315 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC(O)CC1 1722290523 XPVSFPFQMPKAMF-LJQANCHMSA-N 433.560 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(N)=O)c1 1722299614 RAYXITCRZHRABA-OAHLLOKOSA-N 436.541 2.069 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722357990 BVKKDEGFBSFGPH-MOPGFXCFSA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722363124 QSZZZZJWUKDEQU-IAGOWNOFSA-N 430.505 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1722401508 ANOZUMVBWFIDIT-SFHVURJKSA-N 438.536 2.105 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722412078 URBGDUGCWBPKQC-CEXWTWQISA-N 435.638 2.396 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1722425758 LKQCOBNSVNFFOK-UHFFFAOYSA-N 442.527 2.287 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722461795 GYXYZQBIGXYRSC-HKUYNNGSSA-N 431.631 2.454 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722503896 DUWOMFPWKJTBLL-NEWSRXKRSA-N 437.610 2.245 30 10 IEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1722538671 ZSSQEZCVXBLFPV-IBGZPJMESA-N 449.577 2.280 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722553741 AECBKYKTXWMTKF-UHFFFAOYSA-N 434.888 2.099 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn3ccc(C)cc3n2)CC1 1722574918 TUXDKFIYXXANIL-MRXNPFEDSA-N 443.577 2.295 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1728641018 BNJRYUZGWORKLL-OALUTQOASA-N 449.559 2.226 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1729636805 GLNZKUCMEIXAKM-APWZRJJASA-N 440.548 2.362 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCCS2(=O)=O)cc1 1730187688 AEEOPUKUZIIUOL-VQIMIIECSA-N 447.561 2.429 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1740580401 XCKSGTAQAUCFCV-LJQANCHMSA-N 425.533 2.190 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC[S@@](=O)CC 1740613297 BGCQTZIOELMQHP-VWLOTQADSA-N 425.352 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1N1CCOCC1 1740629624 UGCGHOSRCQNDPO-UHFFFAOYSA-N 448.571 2.154 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCO1 1740680430 BIXZGJPWNJVFOE-GOSISDBHSA-N 432.546 2.004 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1740834448 XJIJXFQHQNMDLR-KRWDZBQOSA-N 444.561 2.153 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1740938025 VOPUZTJMSVICDD-LNLFQRSKSA-N 449.577 2.095 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 1740960490 SVWISEBVQXNAAT-LJQANCHMSA-N 440.548 2.013 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1740979149 HKJVAFCTQQLMDH-RTBURBONSA-N 446.573 2.405 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1741006712 PHSDCHBAIRTGPX-NTLWEQJWSA-N 438.594 2.306 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1741408768 UIBOZOVCWGBQRN-NHCUHLMSSA-N 441.532 2.395 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1741658182 QGJZJTWIZDFBHG-FQEVSTJZSA-N 437.520 2.163 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)C1 1743420345 OHVHQJAFOVTOFO-SFHVURJKSA-N 426.521 2.260 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1747883009 RZAQPPVFNDTYBK-MBUFOBGISA-N 442.442 2.435 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)c1 1748162814 DIPZIYMQQOHWGR-MNEFBYGVSA-N 426.521 2.006 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1748656444 REKDNAJFPDJCCN-KRWDZBQOSA-N 427.549 2.267 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)C(C)C)CC1 1748747405 HJSJHNAAMWIXHE-UHFFFAOYSA-N 426.521 2.160 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1748855537 BSIKDFRDWGXOFW-QPPBQGQZSA-N 431.496 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)c(Cl)c2)CC1 1749018663 CIPOANBMOAXORL-UHFFFAOYSA-N 445.951 2.491 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1749049201 YYWTUHRYPMFAPA-OAHLLOKOSA-N 431.493 2.003 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1749368508 KYDBNJKXPDSPIO-HZPDHXFCSA-N 443.639 2.155 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1749663579 JVRFXOLHGMJJHH-INIZCTEOSA-N 443.552 2.317 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1749691147 ZLUNUFDIZNREMH-LJQANCHMSA-N 446.573 2.002 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](C(=O)OC)C1 1749725609 SSPFFSNHVUVXKP-MOPGFXCFSA-N 446.573 2.420 30 10 IEEE COCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1750042120 WCBUWCVMULWWTI-OAQYLSRUSA-N 434.500 2.066 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCCCCCO)cc1 1750384955 WJNBYFZRSKZJNI-QHCPKHFHSA-N 441.532 2.277 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1752557889 NOIFMOHZKWSSIK-UZUQRXQVSA-N 447.547 2.125 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1760176270 FDXGAJZFEAYDSL-JTHBVZDNSA-N 436.604 2.263 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1=CCCOC1 1760206584 FGVCWSQUPQTCSY-UHFFFAOYSA-N 444.583 2.062 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(C(=O)OC)CC2)CC1 1760263234 SXTBRCYOBRHNBD-UHFFFAOYSA-N 442.589 2.164 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@](C)(O)C(C)C)CC1 1760264342 JIGXGMQUTMJBBH-DEOSSOPVSA-N 441.576 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](CC)OC)CC1 1760267344 ZRGHRVVTRJZGQJ-IBGZPJMESA-N 425.533 2.345 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1)C1CC1 1760470328 NLUXXJBJWSDUDA-MRXNPFEDSA-N 445.593 2.087 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760512799 LIEBRQDVIYIOBP-UHFFFAOYSA-N 442.539 2.317 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760564819 IHHYQKAFHKIVEU-MRXNPFEDSA-N 436.582 2.206 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1762915731 KTMXBBHKVYYYQR-VQIMIIECSA-N 425.493 2.314 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C[C@@]2(CCOC2)O1 1763177741 LGNOAMLXUYDRHA-FDDCHVKYSA-N 441.532 2.276 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cc(C)no1 1766400399 BXXFNVMAXUOBBN-UHFFFAOYSA-N 425.468 2.497 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C 1769844691 BUSVPBMBSXZBNC-LJQANCHMSA-N 425.537 2.018 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1772516276 ZSGUENVNRAUXBW-OAQYLSRUSA-N 446.555 2.160 30 10 IEEE CCCn1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1849873195 QJHHIQNDEURMRN-UHFFFAOYSA-N 433.512 2.146 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3F)C2)CC1 1850898764 ONOQZNFFOXFNBU-FQEVSTJZSA-N 435.503 2.474 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 1850910009 AAPHWIHDRQPGDD-IBGZPJMESA-N 449.902 2.432 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)CCc3nc(-c4ccccc4)no3)CC2)nc1 1851907774 HNDDXTPPKZLLQJ-UHFFFAOYSA-N 432.484 2.301 30 10 IEEE N#Cc1cccnc1N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1 1851945459 UXUIXHGUTYLXCN-UHFFFAOYSA-N 426.498 2.173 30 10 IEEE N#Cc1cnc(C(=O)N2C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc32)c(Cl)c1 1852018319 PPKNBZNBKNCENS-OAHLLOKOSA-N 430.873 2.337 30 10 IEEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)c1C 1852539388 AYBULBSDQJFPBD-QGZVFWFLSA-N 431.500 2.310 30 10 IEEE CCc1c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nnn1-c1cccc(F)c1 1853020441 OBFHBTAZEPOBPO-UHFFFAOYSA-N 449.490 2.214 30 10 IEEE C=CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)C1 1855562505 BRZFWVBPNFXVOY-CQSZACIVSA-N 445.994 2.192 30 10 IEEE C=CCN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 1858033342 NGIOEPXIISXLOO-UHFFFAOYSA-N 431.514 2.072 30 10 IEEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868781846 BFWFGOFHWFCLRF-VQIMIIECSA-N 431.606 2.082 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCCC)cn1CCOCCO 1870421201 BKOSBDCZKFCDTN-UHFFFAOYSA-N 436.549 2.143 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597290 SYTOQSBJSAHXCW-INIZCTEOSA-N 428.537 2.228 30 10 IEEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCN3CCOCC3)C2=O)c1 1873217889 QYIALQCOZKFYBQ-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(C)n(-c4ccccc4)n3)CC2)CC1 1889547200 APQZZAZIZUEHAL-UHFFFAOYSA-N 449.599 2.443 30 10 IEEE CN(OCC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2060634409 ZFUSJVRZRAGVOO-UHFFFAOYSA-N 434.342 2.443 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C)C1 2247565981 ZQDSYUHRAHZRDU-PNBPBRNGSA-N 431.455 2.351 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247836187 YCDXUZRKEHNDPI-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403149 BJTSSAOZIWSJOI-GFCCVEGCSA-N 440.375 2.139 30 10 IEEE CC1(C)OB(c2nc(=NC(=O)C3CCN(Cc4ccccc4)CC3)s[nH]2)OC1(C)C 2249067991 KDOIVQJHIUPMMQ-UHFFFAOYSA-N 428.367 2.110 30 10 IEEE CON(CCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255808508 KKNFBBALHWCVQP-UHFFFAOYSA-N 435.330 2.299 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830552 HXZLPOYFRHFCEC-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255878495 ZOMIKJGNYUUWKA-GOEBONIOSA-N 431.342 2.414 30 10 IEEE Cn1ncc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267012691 YJGHXKRDDJPXBI-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267135552 DPSYLVAZXMZCIS-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267173778 PGRJVQZODHEPHL-CVEARBPZSA-N 446.357 2.294 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2267189013 UNUSSCNIUYFPTE-HUUCEWRRSA-N 448.373 2.141 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267493011 XPCUHDSLSFUCFG-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501423 XXQSWFUZALCGJT-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267603007 VWTVTADLLBILAX-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267879850 MBNDMBQAVBGBJC-GASCZTMLSA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268648047 VHEWYEXWIMILQI-JKSUJKDBSA-N 447.341 2.080 30 10 IEEE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)COC1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268712054 PPEGYNJXZMINPF-OAHLLOKOSA-N 446.353 2.457 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2268716741 PNLCKQJXKDLFSZ-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c1C 2297469728 BKIKDJROLDTUGR-IBGZPJMESA-N 440.500 2.187 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2312855530 YUXOHGJUJFASBI-KBXIAJHMSA-N 438.330 2.438 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1 2326655761 HJKGDYBRVBFVSX-UHFFFAOYSA-N 443.485 2.127 30 10 IEEE COc1cccc(N2C[C@H](C(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)CC2=O)c1 238903982 RSGBEMKYAUXKNA-JFIYKMOQSA-N 435.484 2.216 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1=O 410098449 JCMYVDUUJYWRIG-XJKSGUPXSA-N 443.363 2.104 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)n1 477444888 QKLFLMSTFAGGSR-KRWDZBQOSA-N 441.553 2.001 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(-c2ccc(F)cc2)c1=O 478744707 IIWYNTXOSLTUEK-OAHLLOKOSA-N 438.480 2.438 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)o1 480934253 KHFORWVSYLIFPW-MRXNPFEDSA-N 444.553 2.337 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@H](COc4ccccc4)C3)C2=O)cc1 481536395 SSVFWACIXKUDGE-SFTDATJTSA-N 448.479 2.070 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4cc(C#N)ccc4C)CC3)C2=O)n(C)n1 506417654 FTQADMMDTFGNLG-FQEVSTJZSA-N 435.532 2.254 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 507082507 FWTDTQOWPVYULN-OAQYLSRUSA-N 437.562 2.499 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508999514 HAUOIVHNJRKEFH-GOSISDBHSA-N 435.532 2.483 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 523667511 AVKVXSRKHZCLPN-UHFFFAOYSA-N 428.496 2.368 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccccc1 526035911 TXVCDTRFOMXQAO-HXUWFJFHSA-N 430.529 2.457 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 532448145 PUVXDPUHKVYYNJ-AWEZNQCLSA-N 430.551 2.031 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C[C@H](C)C#N)C2CC2)CC1 532821370 MPIMWPLTVDUBLU-OAHLLOKOSA-N 433.530 2.025 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 549255480 HARGGHYREAOMNM-XJKSGUPXSA-N 429.336 2.167 30 10 IEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 549645091 LXHVRHHIEVCTIR-UHFFFAOYSA-N 440.592 2.248 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4COCCO4)n3Cc3ccccc3)CC2)c1 558903633 FGOOHVBHMMQXDB-FQEVSTJZSA-N 431.500 2.008 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc4ccccc4n3)C2=O)cc1 559648056 KAZJEKDXKHEIAF-NRFANRHFSA-N 427.464 2.034 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1 580373458 YQLHLKCUHRHWPH-UHFFFAOYSA-N 425.461 2.026 30 10 IEEE N#Cc1nccnc1N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 585227209 RLQBXNZPSJXODT-UHFFFAOYSA-N 441.435 2.442 30 10 IEEE C[C@H]1CN(Cc2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 585709855 NEYAKSLLDIVSQK-IRXDYDNUSA-N 438.503 2.239 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COC)cc2)c1=O 607947489 FZCOGHRPQGHKDI-UHFFFAOYSA-N 440.565 2.355 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 611672530 AESVXFWDZWMHTR-HXUWFJFHSA-N 433.555 2.238 30 10 IEEE CNC(=O)CCOC1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 615858674 FOQAXTFGYZVQIX-UHFFFAOYSA-N 441.532 2.419 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726592573 PFENKDBVMWVLLT-KRWDZBQOSA-N 425.533 2.153 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Br)cc1Cl 732454925 FOFNZAIJZDBOJJ-PFONDFGASA-N 427.686 2.428 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1cc(C)cc(C)c1 735069282 RTKXNDSKQIFXJH-UHFFFAOYSA-N 449.580 2.152 30 10 IEEE COc1c(O)cccc1/C=C1\CN(S(C)(=O)=O)C/C(=C\c2cccc(O)c2OC)C1=O 747439938 KZKMTKNHAOQLHN-OTYYAQKOSA-N 445.493 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)[C@@H](C#N)C1 754380966 XZNYEZVDOURYAM-JEZWAEDTSA-N 434.518 2.043 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 763567317 HIMZQFUANCYFOY-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1)c1cccs1 765547195 JWQFACMCALEACJ-SJRJCAKTSA-N 448.618 2.111 30 10 IEEE C[C@@H]1COCC[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 774056730 YEQZXOYWTFTDQD-AYOQOUSVSA-N 433.530 2.181 30 10 IEEE C#CCN(C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774249598 JFLFOEYDFKTVAT-SFHVURJKSA-N 435.546 2.408 30 10 IEEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)C1=O 777176407 ANIPGULGIHYHRD-XMMPIXPASA-N 446.463 2.287 30 10 IEEE COCCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CCNC(=O)OC)s1 788065392 CYUWXEAITUYKRJ-UHFFFAOYSA-N 439.515 2.344 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 806861007 ZTEVMCRHZOMDCK-RBUKOAKNSA-N 444.532 2.069 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Oc1ccc(C#N)c(C)c1 808779414 DWCOIDUNILKCJF-UHFFFAOYSA-N 443.525 2.421 30 10 IEEE N#Cc1ccnc(SCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 915795871 VAUDVQBYUQISIU-QPEQYQDCSA-N 428.539 2.190 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCCC(=O)OC)C1=O 920986219 FKAZEFCUUUVGKX-INIZCTEOSA-N 434.518 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCOC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1122643720 MCIUTQVSNWFEMA-MJGOQNOKSA-N 443.500 2.480 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1149979813 WROISOUNOWUZGA-KRWDZBQOSA-N 430.482 2.027 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cc(OC)ns1 1157174590 VBJAYIVYBMFURY-HNNXBMFYSA-N 436.559 2.408 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2nn(C)c(C)c2Br)c(=O)c1C#N 1161250254 DZJDYHXZFSVERX-UHFFFAOYSA-N 443.099 2.288 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 1171079010 HREFLEKMSDILRF-SJORKVTESA-N 443.485 2.164 30 10 IEEE COc1ccc(C[C@](C)(CO)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1OC 1176596865 CEOFYRAKQXEKKT-XMMPIXPASA-N 449.511 2.283 30 10 IEEE C#C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)c1ccc(F)cc1 1190595632 RDWQUFCCEPPGQO-HBMCJLEFSA-N 446.500 2.455 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1 1191563713 IZBCQEORMGAZSQ-SJORKVTESA-N 435.546 2.375 30 10 IEEE C#CCCCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OC(C)C)CCOC1 1286336291 WRRGGGYJYWXWCK-QHCPKHFHSA-N 429.565 2.229 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1286339413 LJVWQULQYNSTNH-UHFFFAOYSA-N 441.532 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388490 PWDCHLKFXARBSE-GOSISDBHSA-N 433.578 2.204 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286605281 UQBAPOKKZQDBKH-KRWDZBQOSA-N 449.577 2.017 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286611734 NYMLEMJTFMXIJE-NRFANRHFSA-N 444.624 2.346 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1286747402 LSIQAWOAPXWIDT-YLJYHZDGSA-N 442.539 2.282 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1286764052 DIUBXUYQAJJTRQ-GOSISDBHSA-N 434.562 2.435 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286827833 CPKINXQXYXMGJS-UHFFFAOYSA-N 439.593 2.100 30 10 IEEE C[C@H]1CN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)C[C@@H](C)O1 1286965785 NTUFTHAQMZJEHT-YESZJQIVSA-N 443.552 2.101 30 10 IEEE Cc1cc(CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)no1 1289373291 QPNAJALLGUWDGJ-ZZEZOPTASA-N 425.493 2.395 30 10 IEEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CCCOC1 1290669366 XZBRKLMQMOOICP-QGZVFWFLSA-N 432.329 2.147 30 10 IEEE C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1291250075 NNTDVOOGDGRSCV-IHCANNCPSA-N 446.577 2.029 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 1296900531 KYHVBKYVJIVIPL-OAHLLOKOSA-N 430.461 2.159 30 10 IEEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1297860046 HESTUCIVMRZRQG-MSOLQXFVSA-N 448.618 2.476 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1299740829 MLPFTXWZLMBYNO-UHFFFAOYSA-N 425.554 2.264 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](c2ccccc2)C2(CO)CC=CC2)cc1 1300188126 CQYLJZCUMFPNPB-NRFANRHFSA-N 425.510 2.023 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1300487414 JDNOREWWZRDJBK-LJQANCHMSA-N 443.573 2.174 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1300501853 NWQJJTFILNJUMO-FVXMCEBTSA-N 428.558 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)cc2c1 1300578138 HYORHICJDDAGFO-IBGZPJMESA-N 435.553 2.481 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1300732882 QNPPGAXQSQUXDZ-GOSISDBHSA-N 446.621 2.154 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1300745114 FQBGZRYUJRTOEG-UHFFFAOYSA-N 434.587 2.334 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300832415 LMFDXVQUGXOMHX-UHFFFAOYSA-N 449.309 2.276 30 10 IEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCOC[C@H]2C1 1300834540 SYVQUNRERONXFW-CQSZACIVSA-N 439.745 2.423 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1300881143 MNQPRVKSGIYQLU-UTKZUKDTSA-N 440.548 2.053 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1300904982 JHBPJVDGEZLNSW-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(c4ccc(C#N)cn4)CC3)C2=O)cc1 1301180750 FDBXWIDTTDAXPX-XMMPIXPASA-N 431.496 2.435 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1301401936 HPNPXOCUXHISAF-QUCCMNQESA-N 431.606 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1301568284 QJPLPHACHOEAHX-PKOBYXMFSA-N 445.589 2.400 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1301972053 USAQZAQSXWURNI-HXUWFJFHSA-N 427.526 2.330 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1303943876 FYBHCAHRAPOTRP-UHFFFAOYSA-N 449.602 2.000 30 10 IEEE CC(C)c1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccccc1Cl 1305589515 IUUWHNFJFLJXQW-UHFFFAOYSA-N 438.875 2.480 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1306533422 GWGWKZXNVXVUFT-ZHRRBRCNSA-N 435.536 2.201 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1306618637 GSYSZUJBJVSWIZ-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1312731818 QHEAHBXIYXLTSG-CVEARBPZSA-N 443.953 2.098 30 10 IEEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1314774058 HFHUTKAYQBKCRS-HNNXBMFYSA-N 428.543 2.344 30 10 IEEE COC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1315801426 BLYPTDGRUGMAPW-FQEVSTJZSA-N 439.564 2.265 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3cccc4cccnc34)CC2)o1 1321697859 VXYLRGLRWALGRB-UHFFFAOYSA-N 425.470 2.124 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358898397 RLMRRMQZTLRPRG-ZWKOTPCHSA-N 431.562 2.047 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCn2ccnc2C)CC1 1359039701 SBUANZJFINRDHP-UHFFFAOYSA-N 437.523 2.347 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CC=CCC2)CC1 1359040884 IRNQBZWCLGCSGK-RTBURBONSA-N 429.565 2.324 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359202995 GKPHSJKJQMKIBJ-NRSPTQNISA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1359302446 HQMCIAAHZWVLOH-CQSZACIVSA-N 434.476 2.456 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359345461 GXEGIVFAMSGOQD-KGLIPLIRSA-N 433.500 2.476 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1360144099 AIQVMFLQQYXJPF-UHFFFAOYSA-N 431.491 2.119 30 10 IEEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c(=O)n1C 1361285967 JSVDSRAWRIGHOZ-UHFFFAOYSA-N 433.516 2.067 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)ccc2c1=O 1452949950 CMBWYQPGXILKFL-ZDUSSCGKSA-N 429.420 2.485 30 10 IEEE N#C[C@@]12CN(CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1460835581 QBRPBBVTZGDQBA-NYVOZVTQSA-N 443.956 2.416 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1463792841 GAPXQLLTFUFHTN-IBGZPJMESA-N 440.435 2.264 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(C(=O)OC)c2ccccc2)s1 1466947738 TWMGFJLILBOSKV-FQEVSTJZSA-N 436.555 2.002 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1467992959 WHBQYRMWLQSVRZ-CYBMUJFWSA-N 433.368 2.440 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)cc1 1471995795 ZCEVFTCWKBSFHJ-MRXNPFEDSA-N 449.330 2.389 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478566919 BATUMNLLYGLZMP-ATZDWAIDSA-N 441.532 2.214 30 10 IEEE CN(C)C(=O)C1(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1503358628 DAEUVZSLLHNNJB-HXUWFJFHSA-N 436.560 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1507515849 ITBBDKOBKIXXCC-XNIRIUNOSA-N 425.599 2.330 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2cc(C)on2)n1 1507716339 JVVIETBLSOZDPI-FQEVSTJZSA-N 439.520 2.347 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1508074397 RZGOFECSEKFGIW-UHFFFAOYSA-N 447.543 2.066 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1508090928 QCBYYBPZAVTKBN-OAQYLSRUSA-N 438.576 2.453 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(C)=O)cc2)C1 1508110340 ZPFXILJDUCIYRV-IBGZPJMESA-N 426.521 2.204 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3ccnc3)c2)C1 1508111429 YEBXXESXQLANOP-NRFANRHFSA-N 449.559 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](COC)C1 1508138133 WVBQMBONNCGMSZ-HNNXBMFYSA-N 440.953 2.051 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508167472 KRFHAFRLNTZCEP-XLIONFOSSA-N 445.637 2.216 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(CO)c2)CCOC1 1509807454 QKSJSXRHYHDSAI-YADHBBJMSA-N 429.496 2.301 30 10 IEEE CCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513852601 CZMYDVFJTNWVMG-YWBAYFEHSA-N 436.516 2.369 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1519393141 RDJSOSMTPFCLLK-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1521063707 USXXWCUYSFTTAQ-QHCPKHFHSA-N 449.490 2.232 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1538971113 GQPYQFQKSBZFCZ-CVEARBPZSA-N 428.562 2.379 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC)C1 1539002204 QZKQKQLIFSOLMF-IAGOWNOFSA-N 429.594 2.038 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](C(=O)NCC(F)(F)F)C3)CC2=O)cc1Cl 1539320741 HKYFEFHETYOYJR-STQMWFEESA-N 442.825 2.092 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1nc2n(c1C#N)CCOC2 1539553527 NCEJDXNUFPWTHG-HNNXBMFYSA-N 443.529 2.409 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539997723 SLAKHMMZJGXCCU-LJQANCHMSA-N 438.580 2.224 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1540134559 UWFDWPQYDMFMJD-HNNXBMFYSA-N 437.541 2.135 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1540136951 NUIWWNHVRPKHFX-QGZVFWFLSA-N 439.495 2.267 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1540865894 VUABTPDKDKZEMG-UHFFFAOYSA-N 448.527 2.040 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(COC)cc2)C1 1540892770 RFJDOOKKQUDLHB-PMACEKPBSA-N 446.573 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1540902797 QMLPMQJZYNNXCW-FGTMMUONSA-N 440.610 2.413 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541478288 ZQUQPBPHYKGYON-SKQREZPOSA-N 430.553 2.254 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1541969665 WKBIZMZTNWHSPN-DBVUQKKJSA-N 445.495 2.482 30 10 IEEE C[C@@H]1c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2CCN1C(=O)OC(C)(C)C 1542978265 LOQBNUOUHFKMOH-NXHAUGRDSA-N 443.504 2.056 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN(C)C(=O)OC(C)(C)C 1543315985 SLZCBUQJVILQQD-UHFFFAOYSA-N 440.552 2.437 30 10 IEEE CC(C)n1c(S)nnc1CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543513680 VBUJLYSBUBOZID-ZDUSSCGKSA-N 432.937 2.385 30 10 IEEE COc1ccc(OC)c(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c1 1554968812 PNQLEUZVUBXTJA-GOSISDBHSA-N 440.529 2.428 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H]1C(F)(F)F 1555946372 ZWEDEINBSHWEIN-IUODEOHRSA-N 427.452 2.496 30 10 IEEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)c1ccc(Br)cc1 1556781951 SHRPZGRUPMGJEM-HNNXBMFYSA-N 437.315 2.470 30 10 IEEE C#C[C@H]1COCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1556973637 PUWSFRPVKPPJPW-ROUUACIJSA-N 430.505 2.216 30 10 IEEE Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(=O)n(C2CCCCC2)n1C 1557323672 XNYFLYZYODFOLD-AWEZNQCLSA-N 445.545 2.178 30 10 IEEE C#CCN1CCCN(C(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)CC1 1565815940 YLOLXGHQTAUIPZ-IBGZPJMESA-N 447.377 2.291 30 10 IEEE CN(C)C(=O)O[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1569299329 YBZBISISWIDCKW-MRXNPFEDSA-N 435.322 2.446 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1O 1570043869 GZRCRDNRSCDGGC-ZDUSSCGKSA-N 433.914 2.275 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1)C(=O)OC 1570221856 YORIAVQRIPTEFK-OAHLLOKOSA-N 437.374 2.363 30 10 IEEE CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ncc(I)cn1 1585265786 PNZJXNSJEWHEQW-UHFFFAOYSA-N 430.209 2.415 30 10 IEEE C#CCN(CC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)C(=O)OC(C)(C)C 1587760282 RSVNNRITQOQKQH-UHFFFAOYSA-N 428.533 2.076 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN(C(C)=O)C1 1588205161 FKRDQTNDSGVFGR-HXUWFJFHSA-N 447.539 2.438 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC=C 1588482483 SGCDCFUXBNFADN-UHFFFAOYSA-N 442.520 2.058 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1588974949 CYCSJAUXOGGYSN-SFHVURJKSA-N 447.527 2.312 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1593878308 HDOOENQRMMEQCW-ROUUACIJSA-N 436.988 2.405 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1594544916 OLFDZFRPHKSJJH-OALUTQOASA-N 438.532 2.478 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594651061 FQZBNBUGCBNUDN-HNNXBMFYSA-N 437.591 2.249 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595442552 SEIKTMXCSLUQNS-LAUBAEHRSA-N 442.539 2.171 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(COC)cc2)C1 1595745003 PYCKJOCFVQIWTC-FQEVSTJZSA-N 425.533 2.377 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1596954824 YLBXLXLVQKQEKQ-UHFFFAOYSA-N 443.525 2.000 30 10 IEEE Cc1cccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1612250068 DRHWYJVTIVGCLI-UWJYYQICSA-N 446.577 2.406 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCCS(C)(=O)=O)n1 1612496309 JNAHTYKMLPPXHP-NRFANRHFSA-N 447.609 2.485 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1612919168 PPJLLIOMYBPVKH-BSBNDGSWSA-N 436.516 2.475 30 10 IEEE C=CC[C@]1(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1617424125 IUFZFSGTKRVREE-JOCHJYFZSA-N 439.553 2.430 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1617946918 ISXRZMNLURVTTR-UHFFFAOYSA-N 447.557 2.015 30 10 IEEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCN(C)C2)cc1 1619233979 DYQYRCOAXQYQRJ-XMMPIXPASA-N 438.576 2.269 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1619990025 MOTDQZJVZNELJV-QVKFZJNVSA-N 448.474 2.013 30 10 IEEE CCC1(N2CCOCC2)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1634188197 OVCDGIDBZLRKNO-NRFANRHFSA-N 439.560 2.340 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnn(Cc3ccc(F)cc3)c2CC)c1 1638422784 GEWXVZZSNOXGSQ-UHFFFAOYSA-N 441.488 2.192 30 10 IEEE COC(=O)[C@@H](C)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1638960984 ZKNUXUVHPCRRFY-AWEZNQCLSA-N 429.498 2.421 30 10 IEEE CN(C)CC#CCNC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1639129348 BUTYMGYJHVMODD-UHFFFAOYSA-N 434.540 2.298 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](Cn3ccnn3)C2)n(-c2ccc(F)cc2)c1C 1643892407 JUQMUPVUSSKDFE-IBGZPJMESA-N 437.479 2.036 30 10 IEEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1cncc(C#N)c1 1652271496 OAKISEQYVOFCRA-QIBOZCLASA-N 430.555 2.281 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)c1 1654489864 VATJVVRRYMNIAE-UHFFFAOYSA-N 442.541 2.043 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](c4cncn4C(C)(C)C)C3)CC2)o1 1655127918 SJRKDYWUPQIZSV-SFHVURJKSA-N 439.564 2.334 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C(=O)CCc4ccccc4)C3)CC2)cn1 1679016118 ABRKNXCUDURQMQ-OAQYLSRUSA-N 432.528 2.019 30 10 IEEE C=CCC[C@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1679140082 FDFDUUXAJZOHKW-CQSZACIVSA-N 425.327 2.176 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NC1CCC(Oc3ncccc3C#N)CC1)CCO2 1680304582 SYUMIKYEKZHHOO-HAWOHGENSA-N 442.516 2.443 30 10 IEEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1681994710 GTIPCHUAMUBNKE-WPKBUWHJSA-N 443.356 2.152 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)c(OC)c1 1682389715 PCXSRIYWIGDSAH-FPOVZHCZSA-N 434.496 2.143 30 10 IEEE Cc1ccc(CNC(=O)N(C[C@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)cc1C#N 1683990160 FAGFBZVVYQTJEW-NRFANRHFSA-N 438.528 2.254 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)CCO2 1684057660 HWNXNGWGCNZXET-RKQJOMJXSA-N 427.505 2.040 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)CC1 1684564439 YKEGLVTXKOFKMD-YSHGAJCASA-N 432.565 2.334 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689992084 GXDDNGIRLKDMJA-RDJZCZTQSA-N 436.578 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2[C@@H]2C[C@H]2CF)CC1 1690115284 ZUQQBLRZVCZVDH-DLBZAZTESA-N 429.496 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1690152362 IRBGADHKOZPWGQ-PZJWPPBQSA-N 431.581 2.232 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1690527676 QZLOUVGSBWHLFT-FQEVSTJZSA-N 429.590 2.251 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)C1 1690700644 VQEJSIFFGWMWMP-QUCCMNQESA-N 445.589 2.076 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1690745051 WWIKLDNHNDBSTQ-HNNXBMFYSA-N 428.624 2.493 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOCC(F)F 1693552776 UUEPKDIDVKWIBY-HNNXBMFYSA-N 448.474 2.067 30 10 IEEE COCCCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1698003937 IHSSRYKKDFOVGW-LJQANCHMSA-N 446.559 2.477 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1705557495 VXBAUHCRAKJEJW-OAQYLSRUSA-N 436.560 2.316 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC1(CS(C)(=O)=O)CC1 1705578564 XNONWXMVFSPQNG-UHFFFAOYSA-N 433.537 2.391 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCn1c(O)nc2ccccc21 1705629492 KLDMTPREZYEERM-UHFFFAOYSA-N 431.500 2.105 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)nc2)CC1 1705648256 UIQFRQOSTJSRSC-UHFFFAOYSA-N 429.528 2.366 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1705665106 JXVUNXKNJBEAHK-PGRDOPGGSA-N 449.621 2.038 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705831371 OUWFOERRSYFKDS-IBGZPJMESA-N 433.578 2.260 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O 1705878040 IBZHPRJFLNJYGE-QHCPKHFHSA-N 449.515 2.232 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705903639 ZEFNQDVKTZORMG-JKSUJKDBSA-N 430.578 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(S(C)(=O)=O)CC2)C1 1705920050 PAZWCCKATZWOKL-QGZVFWFLSA-N 447.517 2.212 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1706060739 BZWGLRXPCPZSKU-RTWAWAEBSA-N 438.532 2.148 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1706249782 QJVBEWFZDBWOQD-HSZRJFAPSA-N 434.548 2.284 30 10 IEEE C[C@@](O)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1Cl 1706901690 HOAAXQLRKHLKMO-RTWAWAEBSA-N 446.914 2.404 30 10 IEEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1708229667 ZYOHZJFSWKSKOU-MVZUJROASA-N 430.578 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1COCCO1 1722395235 VPPOBINUNKJLBA-INIZCTEOSA-N 432.322 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@@](C)=O)CC2)CC1 1722433508 XPPJMMWIPUAUST-WJOKGBTCSA-N 449.527 2.213 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2CCCCO2)CC1 1722433546 ZOPWTNYTVMNKTH-OFNKIYASSA-N 431.581 2.033 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)cc2F)CC1 1722447048 CEYLTYVURPTIAL-GOSISDBHSA-N 443.498 2.464 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1722469021 RVZDKIDDBZUKEH-PKTZIBPZSA-N 438.532 2.461 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](COC)C1 1722586094 SGWLLVAPTFDXOB-IBGZPJMESA-N 438.536 2.375 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722592668 XPYIAPPZXOYBLA-QZTJIDSGSA-N 437.610 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OCC)CCCC2)C1 1722717556 BWSDOLBDNLSCMJ-ZWKOTPCHSA-N 438.594 2.311 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCO[C@H](C)C1 1727187146 CQACPMJGASTBCV-GOSISDBHSA-N 445.612 2.437 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)SC 1727204762 FEZCPNANLILBIO-CYBMUJFWSA-N 443.577 2.483 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(F)cc1 1730762406 FZOGZMUAYPELKB-FUHWJXTLSA-N 449.552 2.489 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(c2ccccc2OC)C1 1740637163 SBBXTWKCERGLJG-IBGZPJMESA-N 429.528 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCN1CCCS1(=O)=O 1740649049 MWRVMRPDDWCYSJ-OAQYLSRUSA-N 439.585 2.318 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@H]2COCCO2)CC1 1740689642 CCMXYHIGDIZTRK-MOPGFXCFSA-N 443.523 2.118 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(C(C)=O)CC1 1740722908 MLTZIDIZDHFIPV-UHFFFAOYSA-N 427.574 2.454 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCN(CC)S(C)(=O)=O)CC1 1740841344 VZSHDCITGPXHED-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740929667 CMYPCFASYVCIKI-QFIPXVFZSA-N 433.560 2.472 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(OC)CCOC2)C1 1740973629 ATXPOUNPRTYEID-NQIIRXRSSA-N 429.477 2.440 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1747512394 TXNFLNSIWJHBKN-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1749014602 KZVZHMLMBUITFI-FQEVSTJZSA-N 426.540 2.248 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1749033223 BDMOYLBMJNSTPQ-ROUUACIJSA-N 447.511 2.452 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC(N)=O 1749124961 RVMSMLACMSQSID-WJPUGNRLSA-N 441.532 2.398 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749140852 UAWSRMRUAJZNNF-DYXWJJEUSA-N 430.553 2.206 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC=CCO1 1749599558 GWIGRTTZRIDYML-FQEVSTJZSA-N 439.564 2.436 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1749651586 YJXDUTOMGGORFC-IAGOWNOFSA-N 442.951 2.256 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1749708886 MRFSMUXTQWVFOR-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccco1 1760112349 FPBFVKGBBITZAL-GAJHUEQPSA-N 435.532 2.411 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760140418 MPRPTSWAGLLXND-UHFFFAOYSA-N 444.605 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1nc(C)no1 1760217496 DLQVATQYHNBOOF-UHFFFAOYSA-N 442.483 2.381 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760316564 UILCINRMMNDBAP-UKAVVXHISA-N 444.580 2.160 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760354068 NMQYCVUBFPJPDU-MRXNPFEDSA-N 446.939 2.414 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760383047 FVNNBIMDFUBZFY-QFIPXVFZSA-N 426.521 2.488 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1760456817 XXKONKBANPIHCA-QGZVFWFLSA-N 447.609 2.334 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)C1 1760543449 PEFYBACJGYQKSQ-HKUYNNGSSA-N 432.546 2.018 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760562318 FQVPULNPRGCRJB-GOSISDBHSA-N 428.562 2.087 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1761356201 BMZPXPDXCZEJEH-KRWDZBQOSA-N 446.515 2.023 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCSC1 1763758582 CKDHBQVZNHPOEZ-QYWGDWMGSA-N 442.593 2.036 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1764998695 WULDIQNDBSKOGC-YADARESESA-N 435.576 2.463 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1765380332 BCBJWUANLZRQQB-IBGZPJMESA-N 437.548 2.226 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(C)COCCO1 1769822637 KAOOHPNKXPABNG-OFNKIYASSA-N 441.532 2.460 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCN2CCCO)CCO1 1771535991 FZOCGSAMXQDIQT-MOPGFXCFSA-N 430.940 2.174 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1772566882 DQVKAJZOYUWXLF-DLBZAZTESA-N 448.568 2.268 30 10 IEEE CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ncn2)CC1 1849519856 ZSCDSEZPOUDJIL-UHFFFAOYSA-N 426.546 2.095 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c(C)c1 1851523100 SOVJZVHXCPVUSV-NRFANRHFSA-N 447.539 2.288 30 10 IEEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CO1 1854138196 NNQVQVQUTBHYRZ-LLVKDONJSA-N 432.298 2.350 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)C(=O)C12CCCCC2 1854396527 UWCZQUVYWDVGFY-UHFFFAOYSA-N 427.885 2.320 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](OC(=O)Cc2ccc(C#N)cc2)CO1 1854401987 WDRMKAJCZWCTQF-MRXNPFEDSA-N 436.873 2.311 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccccc2Br)cc1 1860733337 YVWYXVNNTBLYDG-JXMROGBWSA-N 437.315 2.038 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862563340 AUSXWACALURZSZ-FQEVSTJZSA-N 439.468 2.000 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(=O)O)cc1 1862740943 YDIYSCKREAFMSV-SFHVURJKSA-N 439.424 2.433 30 10 IEEE C=CCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2cc(OC)ccc2OC)C1=O 1863717737 YBJDJNAGXKPGMR-UHFFFAOYSA-N 443.500 2.180 30 10 IEEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1866303585 CSPIBEILLYCDAK-ZDUSSCGKSA-N 449.419 2.040 30 10 IEEE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](CO)C(=O)Nc1ccc(C#N)cc1 1867217404 MFMXYQMKDYPECP-HXUWFJFHSA-N 430.464 2.055 30 10 IEEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1870109366 SCDNJXBLXCVHEU-KRWDZBQOSA-N 445.439 2.093 30 10 IEEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 1870151534 YUDOEQFIECONCP-INIZCTEOSA-N 444.451 2.446 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 2054340581 CISPQMVHYXQKQG-CJNGLKHVSA-N 439.372 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060624475 YKKGOBXYADYRRK-XLFHKSQUSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2063393077 LSLCJDMXZNVRCU-JOCHJYFZSA-N 432.326 2.296 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)nn1 2124523045 ASPZAQQKHIPPGH-UHFFFAOYSA-N 447.345 2.093 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCc1cccc(C#N)c1 2184143425 OAWNUICODGVQPJ-OAQYLSRUSA-N 429.473 2.045 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2224128527 VQYCRCKDOUJJCA-WBVHZDCISA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3ncccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2224133579 XVFDJSHSRUUAHP-XIRDDKMYSA-N 431.342 2.427 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21)B1OC(C)(C)C(C)(C)O1 2247962924 RUTDGLCFKNTSHQ-XHSDSOJGSA-N 442.387 2.491 30 10 IEEE CC1(C)OB(c2ccnc(N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2F)OC1(C)C 2254789358 BGUQUSZNOSQHMR-GFCCVEGCSA-N 431.239 2.415 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)co2)OC1(C)C 2255544466 ZXMBSBNZCCXWCZ-IBGZPJMESA-N 426.322 2.210 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256681864 RHLZWEHAMIJDCJ-MRXNPFEDSA-N 436.314 2.396 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267130564 PKKCLVDDLMQGOK-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267135400 CCKFVCKYCWAWPM-CABCVRRESA-N 448.373 2.474 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2267234933 CNCOTGFSLULMNC-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267479595 NRQCFIKYGORQQJ-QAPCUYQASA-N 443.353 2.462 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2267507662 RZDAJPNPYHCKIF-STQMWFEESA-N 442.243 2.265 30 10 IEEE Cc1cc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267522285 WCRLHCSDPWKVCQ-OLZOCXBDSA-N 444.259 2.416 30 10 IEEE Cc1cccc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267602191 IKJDLHICBDZJLM-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2271676529 AKIHQIXGFFYYRZ-UHFFFAOYSA-N 446.353 2.040 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2341159869 XZZRCIJHOQMTIW-BHYGNILZSA-N 445.369 2.452 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1 20292992 BUZQZMBDDOLLHO-SSDVNMTOSA-N 439.501 2.380 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1 21560414 ZRLKLKCSLAODGV-UHFFFAOYSA-N 431.495 2.477 30 10 IEEE CC(=O)O[C@H]1CC[C@]2(C=O)[C@@H]3CC[C@@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 254316560 JLZAERUVCODZQO-JMYMQZGJSA-N 446.540 2.469 30 10 IEEE COCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccc(O)c(OC)c1 254506644 WLYNDWSUGKBCEV-UHFFFAOYSA-N 442.497 2.165 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 427984174 OEZKPPLLEQBEGA-WZONZLPQSA-N 440.569 2.396 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N(CCO)CCOCC(F)(F)F)CC1 446630087 DRIYMUYHNINXAV-UHFFFAOYSA-N 430.427 2.226 30 10 IEEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)nn2)cc1 447214353 WEJNYRBCXCXKGZ-UHFFFAOYSA-N 434.456 2.190 30 10 IEEE COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)CC1(C#N)CC1 463869843 SPYIWSHSKZTBMM-AWEZNQCLSA-N 440.319 2.238 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CCOCC2)C1=O 475586828 MODMQECXCTWCJX-QZTJIDSGSA-N 427.501 2.107 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 504022339 OVIWNALHDYGYEN-SFHVURJKSA-N 437.496 2.185 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1nc([C@@H](C)OC)no1 508471796 HUTNUIYMCRBOPT-CYBMUJFWSA-N 432.506 2.261 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508827010 KRWHMJLVHYPKAF-HXUWFJFHSA-N 430.516 2.381 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 531591253 LHQMKRQQKYINII-OAHLLOKOSA-N 446.495 2.020 30 10 IEEE C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(C#N)n2)CC1 546916674 KVVGMZNVMGUNBA-RNXZQOMOSA-N 436.560 2.258 30 10 IEEE C=CCNS(=O)(=O)c1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 547118159 MDNKMZHXFICMCX-UHFFFAOYSA-N 427.486 2.100 30 10 IEEE CN1C(=O)NC2(CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)CC2)C1=O 549124358 AFRTVPVYTLAHFX-UHFFFAOYSA-N 441.495 2.386 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 549657421 CQRDDVWZKCRWSN-NVXWUHKLSA-N 429.550 2.266 30 10 IEEE C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 551581573 IHWOOKHCUVUBKY-LJQANCHMSA-N 438.509 2.118 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc3c(c2)CCC3)c1=O 552006799 GGUMDWISUSXKGG-UHFFFAOYSA-N 444.560 2.302 30 10 IEEE COc1cccc([C@@H]2[C@@H](NCCS(=O)(=O)c3ccc(C#N)cn3)CCN2C2CC2)c1 554742397 PJXDPMBOBJYNBV-RBBKRZOGSA-N 426.542 2.303 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4COCCO4)n3CCc3ccccc3)CC2)n1 558945398 DBMTVVSQDQZPMB-NRFANRHFSA-N 445.527 2.202 30 10 IEEE CC1(C)OB(c2cccc(I)c2S(=O)(=O)NC2CC2)OC1(C)C 725385124 OJTLSOOGLQSVIM-UHFFFAOYSA-N 449.119 2.031 30 10 IEEE C#CCN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 729332117 KBCHEGQYUKUSMH-SFHVURJKSA-N 437.521 2.264 30 10 IEEE COCCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730708360 DCLOWYVWQBXROP-KRWDZBQOSA-N 443.529 2.408 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732650543 WFMRSEUWKRKHFW-MJGOQNOKSA-N 430.574 2.371 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)CCN1C1CC1 732707308 XPJDLQICJPTTRU-SFHVURJKSA-N 441.507 2.482 30 10 IEEE COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 737197219 AWGUEBNDWYXPNZ-GFCCVEGCSA-N 441.713 2.248 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCO[C@@H](C(=O)OCC)C2)c1=S 741242061 NPZUHXGGZJWLGO-QZTJIDSGSA-N 446.529 2.334 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 743998927 KDXQGFYTESHCEA-UHFFFAOYSA-N 432.521 2.228 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@H](CO)c2ccccc2)cc1 750590969 MMYLJNQXRAADAK-BJUXRVGASA-N 430.530 2.397 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCc4ccccc43)n2C[C@H]2CCOC2)CCN1C1CC1 752849315 UBQSVQCWORBHMP-DENIHFKCSA-N 447.587 2.444 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757473960 GAGRRZVOWRHZID-ZHRRBRCNSA-N 448.475 2.229 30 10 IEEE CO[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757528320 IIVNQJWANZFVAF-OYHNWAKOSA-N 436.464 2.133 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)ccc1NC(=O)C1=S=CC=C1 759298755 PCFCHDLNXGCWDF-UHFFFAOYSA-N 439.518 2.343 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1Cc1ccccc1 761833785 BVNLLKIBDTZVRU-UHFFFAOYSA-N 448.573 2.097 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)cc1C#N 776049864 CRFWPTJCYOLQRR-UHFFFAOYSA-N 440.353 2.496 30 10 IEEE COc1cc(OC)c(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 779504447 BHJBBUVOMNSJOD-NXVVXOECSA-N 439.266 2.114 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@H]2CCCN2c2nccs2)c1 783109228 AYKATPBXESRPAH-CYBMUJFWSA-N 441.332 2.251 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)c1nnn(Cc2noc(C)n2)c1C 784231312 PWZMGIRLVYYRGW-UHFFFAOYSA-N 433.222 2.188 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(C)c1 789966686 JXQWTQXEBWALTB-CQSZACIVSA-N 433.559 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cnc(NC(=O)COc3ccc(C#N)cc3)cn2)CC1 791018983 XGIOPIWJKNUGFW-UHFFFAOYSA-N 438.488 2.423 30 10 IEEE CC(C)Nc1ccc(S(=O)(=O)NCC(=O)OCC#Cc2ccccc2)cc1[N+](=O)[O-] 791253538 OSYOLAPVIFBBOW-UHFFFAOYSA-N 431.470 2.288 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 792092944 UCYUYJLVGOLNRC-CQSZACIVSA-N 437.518 2.171 30 10 IEEE N#C[C@@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1cnc2ccccc2n1 792111577 VGWUXUPJKSDZBO-VGOFRKELSA-N 425.448 2.282 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 794580127 IKSBSQPQTCYOKQ-HNNXBMFYSA-N 445.610 2.474 30 10 IEEE C[C@@H]1COCC[C@@H]1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 795174643 BUQQHTQAVGXHGT-ZHALLVOQSA-N 432.590 2.359 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(c3ccccc3C#N)CC2)CC1 795890448 UJIREERBZZIVNL-UHFFFAOYSA-N 427.549 2.150 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2(SC)CCN(C)CC2)C1=O 809941631 FCDNVSFELHHZAE-KRWDZBQOSA-N 445.614 2.453 30 10 IEEE COCCn1cc(C=Nn2c(-c3cccc(OC)n3)csc2=N[C@@H](C)COC)cn1 811626145 CLAKTSRZRBOSQT-HNNXBMFYSA-N 430.534 2.281 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)c1 1084306548 HIWAUAPUMBJUHV-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@]23COCCN2C(=O)COC3)c1 1132583047 IIRIKPKMWIQCLJ-JOCHJYFZSA-N 441.871 2.362 30 10 IEEE N#C[C@@]12CN(C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]1CS(=O)(=O)C2 1134055533 AKSZRTFQGVUHAA-LIRRHRJNSA-N 434.905 2.109 30 10 IEEE N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1136245498 PGHHYGSJORJHID-KRWDZBQOSA-N 433.468 2.278 30 10 IEEE CCCCn1c(N)c(N(CC)C(=O)CNC(C)(C)c2cccc(C#N)c2)c(O)nc1=O 1171911399 LPYLDOVAJMKOBZ-UHFFFAOYSA-N 426.521 2.081 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 1214594754 LAMPAWLMMBYOGS-UHFFFAOYSA-N 435.546 2.252 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1286377631 ZZQCCUXIPNFFOC-AWEZNQCLSA-N 442.463 2.325 30 10 IEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1286393631 FOLNFCKODJVGDM-LJQANCHMSA-N 428.558 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1286433882 OGFZVFDVJZHBJM-UHFFFAOYSA-N 446.555 2.302 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)COC2)CC1 1286641234 UCCXATJLNFZEQP-UHFFFAOYSA-N 431.562 2.388 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 1286645647 GTBBXRHRJDNMFV-IAGOWNOFSA-N 446.552 2.022 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCOCC2)CC1 1286652398 DUOZNTKJWGYPQF-KRWDZBQOSA-N 425.537 2.049 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1286726601 GGQKQILOWUPKOO-IBGZPJMESA-N 433.578 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)c[nH]1 1286825716 VQRYYEOGRAWRHG-UHFFFAOYSA-N 440.327 2.114 30 10 IEEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1F 1287090458 HQKVRCCTYQHMGP-MRXNPFEDSA-N 426.496 2.360 30 10 IEEE CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1295455629 CEDDHLUHEYAPOT-QZQOTICOSA-N 435.488 2.101 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](CC)(C(=O)OC)c2ccccc2)s1 1297713563 VKZOEDDBSJSTNA-HXUWFJFHSA-N 436.555 2.350 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)CCO1 1299133023 CPDNBRNCZBMTQA-KRWDZBQOSA-N 426.546 2.054 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1300311331 SBEQKONJBFEOAF-UYAOXDASSA-N 445.589 2.092 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300400745 KNKASYCWYVCCKL-DENIHFKCSA-N 435.576 2.132 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300495844 KBLBKVAKPTZCHY-HSALFYBXSA-N 435.638 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCSCC1 1300562028 YXKCEROWPWDQOG-UHFFFAOYSA-N 439.585 2.474 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1300602595 HFKSGPBNVXHMFM-QHCPKHFHSA-N 425.533 2.186 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCCC1 1300635690 SZQMTWKKFUUPFE-UHFFFAOYSA-N 436.604 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccc(CN2CCOCC2)c1 1300663586 BHRHZSXRTSCTDG-UHFFFAOYSA-N 446.555 2.307 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C2CC2)CC1 1300731088 BHHIFUWQUDXKHS-UHFFFAOYSA-N 446.621 2.012 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)OC 1301029272 DXGRVUJSCYDVNA-APWZRJJASA-N 429.521 2.394 30 10 IEEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301928939 IAWQMQPYBOCOLE-UHFFFAOYSA-N 425.512 2.094 30 10 IEEE CC(C)OCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1303539279 PYNHHOGQCXPTSP-INIZCTEOSA-N 426.587 2.224 30 10 IEEE CCCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)cc1OC 1306748485 HCVHRKFQKQRFGQ-QGZVFWFLSA-N 427.505 2.386 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2c3cc(F)ccc3OC[C@H]2CCO)CC1 1307892324 HVXVPLYTZXUFRS-MJGOQNOKSA-N 444.532 2.246 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1320063752 QYZWHNNCGKHJCE-SFHVURJKSA-N 444.509 2.311 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1320192695 RRNUQIHQMACFHE-WMZHIEFXSA-N 433.508 2.303 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1358872741 YJDGJEUXBVKKJP-STQMWFEESA-N 429.468 2.413 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1358933555 XHEGPFXAYFZSKI-UHFFFAOYSA-N 429.590 2.242 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358936737 WLCKVROSFPWXAM-UWJYYQICSA-N 430.509 2.001 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@](C)=O)cc1 1358952367 INTGOWXJRTYZNS-PMERELPUSA-N 441.582 2.266 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)OC)CC1 1359029267 SMCOQXXMJVSPLS-UHFFFAOYSA-N 444.967 2.042 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359036271 RUMCWWFDKIQTKM-QHAWAJNXSA-N 428.625 2.294 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)CC1 1359037125 WQDLCJODUVGMDT-UHFFFAOYSA-N 438.576 2.457 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359053442 NLASFEAUMHVTEP-IBGZPJMESA-N 440.617 2.348 30 10 IEEE C=C(C)Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359125051 NTJLDGAQTRLJAE-QFIPXVFZSA-N 445.568 2.299 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359329639 PRIQKDOPVKRUEJ-AVRDEDQJSA-N 446.573 2.320 30 10 IEEE CC(C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCC#N)CC1CC1 1359603143 GZWJJUXAILCBML-UHFFFAOYSA-N 431.566 2.139 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CSc4ccccc4O3)C2=O)cc1 1437099422 WEZZFVBKYCYEFY-IRXDYDNUSA-N 436.493 2.433 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)ccc1F 1439115365 ATNPSTKEQQETQI-QGZVFWFLSA-N 447.488 2.387 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 1449149180 MCCNQNAONTUMFM-UHFFFAOYSA-N 433.480 2.439 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)[C@H](C#N)C1 1457746697 XGFUXNZDTWYPGQ-BXKDBHETSA-N 440.254 2.241 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C#N)c(OC)c1)C2 1462764029 NHQXUDWYSPZBQD-SAHWJRBASA-N 443.500 2.485 30 10 IEEE Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)nc1 1464299082 NXQZOHJJIHFUBF-OAHLLOKOSA-N 444.488 2.317 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1 1469876999 KKNGQFGOTKPIBO-UHFFFAOYSA-N 435.525 2.000 30 10 IEEE CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)N(C)C)cc1 1470032237 GJCDUJZBPDYKEC-GOTSBHOMSA-N 448.571 2.327 30 10 IEEE C#CC1(O)CN(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)C1 1473860957 KOHYMIPBTVJJFV-IBGZPJMESA-N 428.414 2.467 30 10 IEEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1475918281 VRENDNQWFBKMJA-UHFFFAOYSA-N 426.539 2.183 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(F)cc(F)c(F)c2F)n1 1492754259 VGFLHMBFFCGWPM-ZDUSSCGKSA-N 449.412 2.473 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1496695583 HUOFKZBYVGHFPW-SJLPKXTDSA-N 441.584 2.337 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1499879102 LCTSTORGYFQVPG-CYFREDJKSA-N 449.559 2.180 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1504338471 GNFLQYBAJMXBBY-FXAWDEMLSA-N 433.509 2.363 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C 1504888048 HTEVOWHASUAJMH-IBGZPJMESA-N 431.562 2.098 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1504974064 LUQPIYXOCMKQSI-XXBNENTESA-N 447.628 2.158 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)C(=O)NCC 1507602336 AEEYBYMVYGHIQG-UHFFFAOYSA-N 429.521 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCO2 1507666966 IOIDOVKNGUTJSZ-GOSISDBHSA-N 433.512 2.399 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(CC)CCC)CC1 1507720362 KBNVBZZUKBFGKK-UHFFFAOYSA-N 425.537 2.340 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1507810659 XPGKHRNBAJEZTO-KNQAVFIVSA-N 431.581 2.287 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21)C1CC1 1507988753 VKXZOANRHZODFD-SJORKVTESA-N 444.605 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1508084287 LHTXPRCHCZOYHH-TZMCWYRMSA-N 429.468 2.389 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)C)CC1 1508400105 HKYMVPXVBPWZHM-UHFFFAOYSA-N 439.564 2.222 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1515078294 HLSUNFBWCBMZET-OAQYLSRUSA-N 425.468 2.087 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1517560166 BXQYBLXPLODFQP-UHFFFAOYSA-N 441.536 2.304 30 10 IEEE C[C@@H](C(=O)Nc1ccnn1-c1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1521813710 UHJNECXGLIEGGN-HNNXBMFYSA-N 438.488 2.150 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C#N)c3C)CC2=O)cn1 1536981414 PHVDSSXFJLELQA-ZDUSSCGKSA-N 446.305 2.464 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 1538380906 ZNUILOHIBWFSNR-QGZVFWFLSA-N 430.526 2.208 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539062530 BXZQYTOFDTWUER-HXUWFJFHSA-N 437.592 2.220 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1539210109 ASTRERSEDSSBDE-LJQANCHMSA-N 441.557 2.116 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539220824 LZXZRHPGWOMFNW-OAHLLOKOSA-N 434.484 2.489 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOC(C)C)CC1 1539427391 DEZKGJVGVKGURT-UHFFFAOYSA-N 444.967 2.042 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(F)(F)C1 1539511370 WFCVOQCWJHHCEK-UHFFFAOYSA-N 440.545 2.450 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1539902179 APPUHHVJQWIYMK-MRXNPFEDSA-N 426.631 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccccn2)CC1 1540902556 MBHNJXWDPJUNNK-UHFFFAOYSA-N 430.578 2.258 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1541221602 NIIDIJNCOKFFPQ-LSDHHAIUSA-N 428.493 2.398 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 1541626046 KMVOQBSOVQMZBL-ZHACJKMWSA-N 434.452 2.253 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCOCC1(C)C 1541637982 HDRDLANRHFMRLU-UHFFFAOYSA-N 439.564 2.035 30 10 IEEE C[C@](O)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1541958025 XUHXPZKSGPFCFF-QKKBWIMNSA-N 429.427 2.377 30 10 IEEE Cc1nc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CCO2)no1 1542890214 RGXMVMZVJCUITL-INIZCTEOSA-N 445.430 2.368 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)s1 1543832157 XQIFTBYUNLXIEB-OAHLLOKOSA-N 445.570 2.204 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccnc1OCC 1548171204 IBNKPXZLWHOUGH-UHFFFAOYSA-N 448.531 2.250 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1555267042 PARCYZOBCHUDPR-LJQANCHMSA-N 449.490 2.159 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)cc1 1555989224 CUQOCYPAYREGCZ-KRWDZBQOSA-N 433.497 2.037 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCO[C@](C)(C#N)C3)cc2)cc1 1558602229 JLWYXGUGWLOZHR-OAQYLSRUSA-N 427.482 2.445 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)C(=O)OC 1568154357 HEXWDDBBTSUYDW-AVRDEDQJSA-N 434.492 2.471 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1587818054 OXWAFKCQXWMXLG-MRXNPFEDSA-N 441.532 2.347 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2ncn(C)n2)CC1 1588790980 JFGIXEBFNPTNHV-UHFFFAOYSA-N 448.575 2.302 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(C)=O)cc2)CC1 1588848729 MUWLLQHSICHVER-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCOCC2)CC1 1588907841 HMONMWPALPGZAJ-UHFFFAOYSA-N 442.951 2.386 30 10 IEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589036967 SAWZGAYBDPJDBA-QGZVFWFLSA-N 441.582 2.483 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)CC1 1589559576 SUWOFPMTJVBLLD-WIYYLYMNSA-N 430.574 2.427 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1594497650 LEEZLKIGUSPCHV-ZACQAIPSSA-N 435.594 2.030 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595516584 HQHSPYYKSDNLMG-SFHVURJKSA-N 447.543 2.148 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2ccc(F)cc2)C1 1595715462 WXLRWEQUXDPVIC-GOSISDBHSA-N 425.468 2.238 30 10 IEEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1613341857 CNVHBXGIWKRIQL-APWZRJJASA-N 426.521 2.036 30 10 IEEE Nn1c(COc2ccc(F)cc2)nnc1SCC#CCN1C(=O)c2ccccc2C1=O 1613400677 RRQNEZOXALHBAL-UHFFFAOYSA-N 437.456 2.102 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 1615333140 WMQNXAKHUILCKE-INIZCTEOSA-N 431.493 2.319 30 10 IEEE COC(=O)Cn1ncc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c1C 1616946302 PHGQYICOFCYUJG-DBWCEAHUSA-N 431.493 2.090 30 10 IEEE Cn1nncc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1618494820 ASQQVHLZOPJQHW-KRWDZBQOSA-N 430.314 2.343 30 10 IEEE CNS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1C1(c2ccccc2)CCC1 1618847675 BFBUWKYISNTHKO-UHFFFAOYSA-N 428.562 2.037 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cn1 1635453646 SYMKATRHZDGWHU-LJQANCHMSA-N 438.507 2.068 30 10 IEEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OC 1638400942 CHZVYLUPXAZVGZ-CQSZACIVSA-N 447.351 2.327 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)=NO1 1638911472 TUTHIRHUMHMVPY-JKSUJKDBSA-N 428.493 2.026 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1639888473 FESBAKPPLLVTIH-CABCVRRESA-N 435.546 2.132 30 10 IEEE C=CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 1644943458 ZTTYOUFUKZHUEI-UHFFFAOYSA-N 431.352 2.047 30 10 IEEE COC(=O)CN(C)C(=O)CCN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1654967624 AFCRSHJOSSLTFU-DTORHVGOSA-N 426.304 2.111 30 10 IEEE C#CC1(O)CN(CC(=O)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)C1 1660507168 GDWMFNJXSAQHOI-UHFFFAOYSA-N 444.509 2.227 30 10 IEEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3ccc4c(c3)C(=O)CCO4)CC2)c1 1662836216 IFWKOPCRGSIFKB-UHFFFAOYSA-N 425.510 2.466 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1682701856 NUUOGQZCDJMRRP-KGLIPLIRSA-N 427.452 2.473 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)C1 1684083518 WBFSTTXAALYYHF-VQTJNVASSA-N 427.549 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(O)(CC)CC)CC1 1690139367 KAWRBXJEVYYOKV-UHFFFAOYSA-N 439.560 2.471 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1690299488 UBYWRESZGSZNHE-IBGZPJMESA-N 440.548 2.455 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1690319662 UVMXTOQGWLUUBR-UHFFFAOYSA-N 429.569 2.037 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690326633 ADIDARYSLWWGRB-UHFFFAOYSA-N 434.928 2.341 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690428293 LOCFEBJPLXXJGC-SFHVURJKSA-N 442.612 2.318 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1690453841 KZJIQMYGKMCIHU-MRXNPFEDSA-N 431.562 2.372 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@]2(CC=CCC2)C1 1690723632 XFTYFBNDCSJBHZ-LAUBAEHRSA-N 433.578 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690726750 KHKPVIBHTINJPW-ROUUACIJSA-N 436.603 2.394 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705527000 PGWMTWGCCWAGQN-PMACEKPBSA-N 444.557 2.146 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705569719 JQXKFTXDJXMOPK-NQIIRXRSSA-N 441.601 2.382 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705610922 JYSVGXLEVTXWRP-UHFFFAOYSA-N 438.557 2.407 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1CCN1CCN(C(C)=O)CC1 1705618033 RCSFQSOZYGYNBQ-UHFFFAOYSA-N 438.576 2.043 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705628744 OBEVVGLLYPQXAA-IAGOWNOFSA-N 429.487 2.142 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CC=CCC2)CC1 1705643487 HXFLFLRTDGPMMN-NHCUHLMSSA-N 426.609 2.214 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1705901686 TXILAEHZJDDPNN-UHFFFAOYSA-N 440.548 2.192 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1710499152 GNLCUKRFKHTSII-JKSUJKDBSA-N 434.566 2.382 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1722411748 ONFJNXOYEIPZGZ-PNCHPQGNSA-N 447.580 2.392 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCC[C@@H]2C)CC1 1722435347 GWUOQFFOUDENGE-IBGZPJMESA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCN(CCC)C2)CC1 1722440635 CLZKLEUEGRLCTH-FQEVSTJZSA-N 440.567 2.483 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722483733 DINKTCJHQMHEES-HOTGVXAUSA-N 427.306 2.440 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722530472 UKJSJOQQOMXJPQ-KRWDZBQOSA-N 449.577 2.017 30 10 IEEE C=C(Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1722539063 FJHJLQAAAYKORM-QGZVFWFLSA-N 436.560 2.432 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722634474 PGEMHNGUJVFCRF-KUHUBIRLSA-N 440.953 2.243 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722738716 OBEGGXMQCJYWJN-UAGQMJEPSA-N 426.608 2.103 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1723714561 CDJQTUFCEYMYLG-GOSISDBHSA-N 447.561 2.167 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1724011166 WZGOWZVXLMTNOH-QGZVFWFLSA-N 448.618 2.342 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)[C@H](C)C1CCC1 1728298053 YXBMMCVEBXMENV-ZHRRBRCNSA-N 443.573 2.381 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1729636809 GLNZKUCMEIXAKM-VQIMIIECSA-N 440.548 2.362 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4cccnc4)n3CCCCCCO)CC2)nc1 1731181444 BQBXAFHFKAMHMJ-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1740557668 QKPOGIBHUOMFSY-RBUKOAKNSA-N 445.589 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1740564050 ZOMWXUADLJNTHM-MSOLQXFVSA-N 434.585 2.386 30 10 IEEE C#CCCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740578677 LOROACLOKPEWEL-PWHSHALESA-N 429.565 2.370 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1740671867 QDMNSAGFYPMRLL-SIKLNZKXSA-N 439.560 2.487 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740691644 LDMSHWIWSXGWHA-IBGZPJMESA-N 447.992 2.321 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1740698699 LDPDCEOBJMIEGV-KNQAVFIVSA-N 438.624 2.015 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(O)(CC)CC)CC1 1740700684 ZGALKSMHPVYDCE-UHFFFAOYSA-N 427.549 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)s2)CC1 1740700906 MXDHJCOYGTYGBW-UHFFFAOYSA-N 448.980 2.145 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740713038 CMQNUHWUOBSRTI-PKOBYXMFSA-N 425.558 2.377 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740930389 SVFLQUXFCYFCON-JOCHJYFZSA-N 441.557 2.165 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(F)cc(F)c1 1740965475 JMOJQRVOYVUFTB-KXBFYZLASA-N 435.475 2.219 30 10 IEEE CC(C)CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1741532660 DQWMSRLJWFDVNH-QFBILLFUSA-N 426.587 2.081 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1741647206 KDLRWYCECMEYET-FZMZJTMJSA-N 426.399 2.085 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1748655795 GDKUHYPFAYCDQF-QGZVFWFLSA-N 425.533 2.285 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1748703699 XEEDKSXHLUMCNB-UHFFFAOYSA-N 431.562 2.226 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817168 GDIQCPRXMXBCED-RTWAWAEBSA-N 443.617 2.333 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1748955981 DUJXBIOHBWUEMR-YWZLYKJASA-N 449.349 2.334 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1748999794 FZQOSQABJAKLPM-OAQYLSRUSA-N 439.560 2.094 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749027647 QSOBUFCQJNKJIE-SFHVURJKSA-N 429.546 2.041 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1749033256 CEHJGSLDYRLCCC-RDJZCZTQSA-N 444.536 2.178 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1749033934 RSJFMGCOLHIOJK-SQNIBIBYSA-N 446.621 2.117 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749657591 BQFODPDHQXJMNC-LPHOPBHVSA-N 444.967 2.058 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1749666495 MKSYEMKMLHSBPI-UHFFFAOYSA-N 447.499 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](CC)C1 1749730378 BMNQTOCEFODOBY-OAHLLOKOSA-N 442.545 2.431 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1749956057 GAOPFRXAUPRZRJ-HKBQPEDESA-N 442.589 2.469 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccccn1 1749965104 AOISROBOQSDZRB-INIZCTEOSA-N 449.515 2.175 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1750099209 KRAZZSGXRNIRDQ-GJZGRUSLSA-N 428.518 2.035 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CC(=O)NCC(F)F)cc1 1750382644 XAKTXNRUKQDAGN-KRWDZBQOSA-N 444.486 2.329 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1760111910 WMLKDFFXPXPRSY-IAGOWNOFSA-N 438.532 2.184 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1N1CCOCC1 1760127269 UVZFYHKHFJYSSO-VCOUNFBDSA-N 439.560 2.345 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1760170629 JVAJKJXVCSUIQY-WJOKGBTCSA-N 440.573 2.292 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccccc1 1760206765 LMIGOOKVYWZNGO-QHCPKHFHSA-N 433.537 2.250 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN(C)CCOC)CC1 1760256629 QNIQTRPFHUVBFF-UHFFFAOYSA-N 430.984 2.322 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCN(CCc3ccccc3)C2)CC1 1760263641 JOPMHKHSGXCMSM-QHCPKHFHSA-N 436.604 2.134 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1760275243 SQUISZDMFLVHJF-CVEARBPZSA-N 444.536 2.137 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760455032 GJFNFOANLBKVNM-ZJSXRUAMSA-N 441.576 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1Cc2ccc(Br)cc2C1 1760523156 NXLZQXQSPLIUQD-UHFFFAOYSA-N 442.321 2.264 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1760582675 NZPAMXNBBWEVTB-AZUAARDMSA-N 449.559 2.036 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1761439586 FCSRBCRLFFQWMI-HZPDHXFCSA-N 427.509 2.230 30 10 IEEE CCc1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1Cc1ccc(C#N)o1 1763081495 BJIXQYJHOHDWAA-UHFFFAOYSA-N 434.500 2.253 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1cccc(C)n1 1763220948 ACGGHVGDNBMBLA-NRFANRHFSA-N 445.527 2.390 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C#N)CC1 1768280460 AECWOGDBKZXJBS-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)c1 1770346398 FCFIHNSXBQMHLR-QGZVFWFLSA-N 428.493 2.207 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCc2ccccc21 1771222517 JCDANZJFVDPETI-NSHGMRRFSA-N 440.548 2.182 30 10 IEEE CS(=O)(=O)C1(Cn2c(Cc3ccncc3)nnc2N2CCC(CC#N)CC2)CCC1 1771342805 BJFMQQMHKYYGSS-UHFFFAOYSA-N 428.562 2.361 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)C1 1771345122 BCZDUMBVDLKBEM-LJQANCHMSA-N 427.530 2.177 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)CCCn3c(O)nc4ccccc43)CC2)nc1 1852440416 YGLKQHCNENUBMB-UHFFFAOYSA-N 434.500 2.154 30 10 IEEE N#Cc1cccc(OCC2CCN([C@H]3CCCN(C(=O)[C@H]4CCCS4)C3=O)CC2)n1 1854439922 RRFMOZXGWZSTFL-RBUKOAKNSA-N 428.558 2.457 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)C(C)(C)C2=O)cc1F 1854461614 IBQSUIMNWQMPTE-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE CN(C)C(=O)[C@]1(F)CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1855019880 YYSVILFQVKPTPG-UTKZUKDTSA-N 434.899 2.039 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H](N(C)CCC#N)C2=O)cc1 1856451848 NLANOCZROSWFRY-LJQANCHMSA-N 434.562 2.084 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccccc2Cl)C1)[C@@H]1CCN(C)C1=O 1857096262 JPUHWLWSEBCOFO-FUHWJXTLSA-N 433.936 2.203 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869933713 MWYVZGQGSMGRCX-RTBURBONSA-N 444.557 2.019 30 10 IEEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870348024 FGGDICVLJCKWOF-UHFFFAOYSA-N 438.572 2.455 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCCOC 1870499121 AUQDZIQXKSYRBI-UHFFFAOYSA-N 426.517 2.471 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCC(CO)CC1 1870747937 RRAWURQDSVZNKG-UHFFFAOYSA-N 441.528 2.265 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874345279 GMQFCYXQQGTNQT-WSDLNYQXSA-N 425.470 2.057 30 10 IEEE O=C(NCC#CCN1CCCC1)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1890458307 MXYVGCJDLUIHAJ-UHFFFAOYSA-N 429.517 2.133 30 10 IEEE COc1ccc(OCC(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)c(OC)n1 1891323883 HOWYSHFWNVPKPJ-UHFFFAOYSA-N 425.489 2.119 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCO[C@H](C(=O)N4CCCCC4)C3)n[nH]2)c1C 1891543809 IPNPLOOOQBQMJY-FQEVSTJZSA-N 440.548 2.320 30 10 IEEE C#CCCN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2059533549 NIPVTUWPNGWDNC-VWLOTQADSA-N 440.588 2.323 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2174787697 XATIMYIRFGFEGE-QZTJIDSGSA-N 433.461 2.060 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243416587 LRVHCSTTWHKATR-SHTZXODSSA-N 430.376 2.397 30 10 IEEE CC1(C)OB(c2c(Cl)cccc2C(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2248080069 BPQRYLHIPRKZMO-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@](O)(CNC(=O)OC(C)(C)C)C2)C1 2249676373 NPTBKTCHPGAIFB-NRFANRHFSA-N 439.553 2.478 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256894303 HLTDQFIMYVGPIG-CJNGLKHVSA-N 437.321 2.472 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2266994866 ZXZUQQVIMSMOQF-ZDUSSCGKSA-N 444.259 2.418 30 10 IEEE Cn1cc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130528 PAILSWTUDNWNKS-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267494483 SOEQZYMTZFLMPU-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2267548689 HOPGNJMKKPPXND-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268708856 HJXUSFOQWZKJQL-GOSISDBHSA-N 446.353 2.104 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268717089 QSTXODBHIVBGIJ-HOTGVXAUSA-N 447.341 2.201 30 10 IEEE C=CC[C@]1(CN)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2287690473 KMYUCKBGAZGBGF-JOCHJYFZSA-N 433.574 2.400 30 10 IEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2315647086 XVMGUYAMSZRMGJ-FICVDOATSA-N 449.382 2.380 30 10 IEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NC2CCCCC2)n1N 20912093 CLSNYNTUOZUCHT-UFFVCSGVSA-N 433.586 2.373 30 10 IEEE CC(C)c1ccc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(CO)c2)cc1 22694685 GAGNGJHRGKJLRY-UHFFFAOYSA-O 442.605 2.450 30 10 IEEE C=CCOc1ccc(-c2nnc(CCC(=O)N3CCN(C(=O)OCC)CC3)c(O)n2)cc1 34762810 SAMPPZYHHILPJX-UHFFFAOYSA-N 441.488 2.042 30 10 IEEE Cn1c(=O)c2c(nc(NN=Cc3ccc4ccccc4n3)n2Cc2ccccc2)n(C)c1=O 254442404 UBKIBCGANIYONT-UHFFFAOYSA-N 439.479 2.476 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 437560305 QIXKBRKZTDXXSX-QGZVFWFLSA-N 426.542 2.261 30 10 IEEE CCOC(=O)c1cc(NC(=O)NCCOc2ccc(C#N)cc2)cc(S(C)(=O)=O)c1 440308781 XEWBBCVWFLSFPU-UHFFFAOYSA-N 431.470 2.339 30 10 IEEE N#Cc1cccc(OCc2ccoc2C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 477901159 FBDNQNBYNZMHIG-UHFFFAOYSA-N 436.512 2.404 30 10 IEEE COCCN1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 478558053 IVOSSFAKQOMSIO-UHFFFAOYSA-N 426.477 2.166 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 481482036 WBOCMSZBLUJPKS-UHFFFAOYSA-N 430.306 2.056 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 482239433 FDQIFGUFCBITRQ-MRXNPFEDSA-N 438.509 2.292 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCCC(=O)NC)CC1 508953039 SWQCMCZSYGMXGG-UHFFFAOYSA-N 429.521 2.270 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1Br 514869574 NCFVVBWKGVROLV-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccccc1 519490700 NQUQKGDPFCKSBZ-UHFFFAOYSA-N 429.545 2.380 30 10 IEEE CCCCN1CCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 524570589 NXYSJYNELPZXMP-HXUWFJFHSA-N 447.605 2.229 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 532781101 ZPXQXADMUHKYSJ-UHFFFAOYSA-N 429.523 2.053 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c1 538521270 QOPDMWMBJRNMJB-UHFFFAOYSA-N 437.521 2.243 30 10 IEEE COc1ccc([C@H]2CCCN2C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 545504839 FDUHXZLBULNFJE-OAQYLSRUSA-N 435.528 2.456 30 10 IEEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)NC[C@H]1CN(CC(C)C)CCO1 549197973 AHDBGWJIWFUQGG-KRWDZBQOSA-N 430.936 2.308 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 555259716 ILCJULJHNBTXFA-GOSISDBHSA-N 436.520 2.220 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 580380020 VEHJUQMPDWZNDN-CXAGYDPISA-N 441.504 2.273 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)ccc1C 584330515 PMWWWBIRPMROJJ-UHFFFAOYSA-N 428.579 2.462 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 741448493 AQQJBEPTNQTQMC-IBGZPJMESA-N 443.573 2.058 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1(c2cccc(Br)c2)CCOCC1 742247356 AGPRMAMEVDJHED-VHEBQXMUSA-N 448.317 2.488 30 10 IEEE C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746102536 AZFUUSFWVYVKCS-ANNUQZOISA-N 439.541 2.418 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)s1 749529752 HMWRLVLOAULKHO-UHFFFAOYSA-N 432.571 2.110 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C3CC3)CC2)cn1 751687860 JJAIRKQYXPSSSU-QGZVFWFLSA-N 432.594 2.093 30 10 IEEE CC(C)(C)[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 755378302 ZLIBNBZTYXRTMP-HNNXBMFYSA-N 444.351 2.138 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)cn1 764430189 GJKJRJDAEAWFPJ-UHFFFAOYSA-N 445.483 2.032 30 10 IEEE Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767675689 KXFWVAQQXSOPHV-AWEZNQCLSA-N 425.466 2.441 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccn(C3CCCC3)n2)cn1 769850008 DKGPSWIDDBACME-KRWDZBQOSA-N 429.550 2.482 30 10 IEEE C#CCN(C(=O)Nc1ccc(I)cc1C)[C@H]1CCS(=O)(=O)C1 774015181 KYIWGEFLHXUMOF-ZDUSSCGKSA-N 432.283 2.254 30 10 IEEE N#CCN(C(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 782403282 YYIVOQKWRUROHK-UHFFFAOYSA-N 444.241 2.494 30 10 IEEE C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cccc3cnccc23)c1=O 782923944 ACIRASFTONECQD-UHFFFAOYSA-N 436.496 2.233 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 790586756 MWPOFHBPKKVMLD-HSZRJFAPSA-N 436.597 2.345 30 10 IEEE C[C@H]1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCN1C(=O)OC(C)(C)C 793641689 ZRTYUDJPEDUCBQ-BBWFWOEESA-N 428.537 2.421 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812053768 YTKUNYULSWTFQS-OAQYLSRUSA-N 431.521 2.492 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 812175211 LGYQREXWTZBGER-IBGZPJMESA-N 431.562 2.058 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 853722770 OWAKKVIBBIGZMJ-QGZVFWFLSA-N 443.525 2.205 30 10 IEEE N#CC1(c2ccc(CNc3ccc(S(=O)(=O)N[C@H]4CCS(=O)(=O)C4)cc3)cc2)CC1 863993077 KWTIZIFGAMRWJZ-IBGZPJMESA-N 445.566 2.319 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1=O 906485901 ALYIKBJURKLIKP-DKXYKWQCSA-N 449.552 2.189 30 10 IEEE O=C1C(=Nn2c(O)nnc2O)c2cc(Br)ccc2N1CCc1ccccc1 1084270237 BSFHVAQSTKWTKN-UHFFFAOYSA-N 428.246 2.294 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)c1 1125256234 FNCCKCMPTQUYJS-HSZRJFAPSA-N 429.517 2.386 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)COc2ccc(C#N)c(Br)c2)O1 1133996329 JNUYMZWBLBJQDQ-RYQLBKOJSA-N 439.306 2.121 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 1136415393 CFSOWBXMALFBJI-IBGZPJMESA-N 429.473 2.216 30 10 IEEE C#CC[C@@]1(C(=O)N(C)C[C@H](O)COCCOC(C)C)CCCN1C(=O)OC(C)(C)C 1137238488 OGSSPJSALFWQPU-AVRDEDQJSA-N 426.554 2.040 30 10 IEEE CC[C@H](CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O)Oc1ccc(Cl)c(Cl)c1 1138228558 DESVPSLOBIXQNH-GFCCVEGCSA-N 425.272 2.443 30 10 IEEE N#C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1144003288 IHWMKDKMJYHATH-JKSUJKDBSA-N 428.297 2.014 30 10 IEEE C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc2N1S(C)(=O)=O 1156248054 XBYSYUPTSHVMLC-DNVCBOLYSA-N 439.541 2.381 30 10 IEEE N#Cc1ccsc1NC(=O)CN[C@@H](CO)c1ccccc1I 1198541342 MBTPYRFWGNPUAV-ZDUSSCGKSA-N 427.267 2.486 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1286389853 RSYSBVBFCGILBJ-HXUWFJFHSA-N 428.558 2.367 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1286397270 YQBYRKBROFXPCD-QZTJIDSGSA-N 438.594 2.209 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1286450171 DOLKQSQTNOEEPH-AWEZNQCLSA-N 437.516 2.358 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)CCOC)CC1 1286474881 SUVCRRSOJYOXBH-JOCHJYFZSA-N 447.967 2.150 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(=O)Nc2c(C)cccc2C)CC1 1286481619 HPONFARXLDUXOI-UHFFFAOYSA-N 443.555 2.275 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOc2ncccc2Cl)CC1 1286482033 MADCBCISTAYIQB-UHFFFAOYSA-N 437.935 2.147 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCC=C)CC1 1286487386 WDVHLJZUGVORDT-UHFFFAOYSA-N 435.532 2.248 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCS(=O)(=O)C1 1286717949 QZTNINJDQIYKAR-CYBMUJFWSA-N 442.383 2.493 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@H]2COCCO2)C1 1286807412 NSIUOPLVFLZOKS-PMACEKPBSA-N 428.533 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(=C)CC1 1286823778 QYRIRGNDVYPJAL-UHFFFAOYSA-N 435.575 2.027 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 1290006175 JYNCULXXJXLKSV-SFHVURJKSA-N 433.350 2.080 30 10 IEEE CCc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1292883325 IEGDKVTZEWDYKH-QBEKEKFNSA-N 440.504 2.146 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1295653805 QGJXYTSRWFRIIJ-LSDHQDQOSA-N 446.515 2.232 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCOC1 1298799271 ZPSJVIVJZKDFSX-LJQANCHMSA-N 449.353 2.328 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 1300130179 COMNWBWOXRLSDR-LLVKDONJSA-N 444.307 2.437 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 1300484590 QPHQPOGKOIRRSV-SJLPKXTDSA-N 426.546 2.114 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCn1cnnn1 1300656280 CFRFUNNDGRFMGJ-MRXNPFEDSA-N 440.577 2.294 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1300733190 SYSGPLISGWPGPT-UHFFFAOYSA-N 428.562 2.166 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1301258378 QZRVCDHHQLZFSH-IBGZPJMESA-N 427.505 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCc2sccc2C1 1301568719 WZFFRDVOFOTKAS-UHFFFAOYSA-N 449.602 2.129 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCOC1 1301606548 RZQPYCYBXIOHLG-HNNXBMFYSA-N 436.607 2.383 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSCCCO)C1 1302977999 FMJSDMCELPIYNK-FQEVSTJZSA-N 443.508 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)C1 1303452144 IJACDBGRNVDGNH-INIZCTEOSA-N 446.529 2.194 30 10 IEEE CN(C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H](c1ccccc1)c1ccc(F)cc1 1308101054 VBDUCXKPGIOJPL-PMOQBDJRSA-N 441.528 2.244 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)nc1 1309086779 GGSRMIDOVHHJOY-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCn2cc(CO)nn2)c1 1316529884 RFRKIVMVUCNFHB-QGZVFWFLSA-N 442.474 2.472 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1358919574 FQEFDYVNBIKIDR-INIZCTEOSA-N 431.562 2.181 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC(=O)NC 1359021032 ZJIUHZRZBLLHTG-UHFFFAOYSA-N 434.338 2.238 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@](=O)C(C)(C)C)CC1 1359039262 BFNJEPUAOFPBAI-SAFKIGCLSA-N 449.665 2.499 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1359039780 VNTKRNQOJRVWGP-QHAWAJNXSA-N 428.625 2.292 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359186424 GDLGFOLADKVGQX-UHFFFAOYSA-N 437.552 2.406 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCS(=O)(=O)C[C@@H]3c3ccccc3)CC2=O)cc1 1439693777 OBCFTHWYMDMESC-TZIWHRDSSA-N 437.521 2.300 30 10 IEEE CCCOc1ccnc(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 1441631725 PAZYHPIRQUWCGC-MOHJPFBDSA-N 431.518 2.259 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)s1 1447302839 LJMRZNWJIOUXOS-SRGMZFCMSA-N 426.585 2.370 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)s1 1448002346 DHOVZYUZEAFFHI-HUUCEWRRSA-N 443.591 2.128 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1451966819 CEZPWHOOXHGMCD-GFCCVEGCSA-N 441.435 2.090 30 10 IEEE N#Cc1c[nH]nc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1452028820 BQUXGTLGNNDEJD-NSHDSACASA-N 438.307 2.083 30 10 IEEE CCOc1cc(C(=O)OC)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455894363 COBDDZODMNJQII-CYBMUJFWSA-N 431.470 2.049 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1460874752 HAOXLNPGZBDZDZ-CVDCTZTESA-N 428.533 2.405 30 10 IEEE CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1464668274 UXYPEHLNEKCKAF-MRCUWXFGSA-N 442.516 2.287 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1471118475 ODLZGGXKQXZPDA-BFUOFWGJSA-N 434.892 2.153 30 10 IEEE C=CCCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(=O)OC 1471894048 UCKOLLIDWXSNSQ-INIZCTEOSA-N 428.576 2.479 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2cnn(C(C)C)c2I)c1C#N 1472482990 ZSOYWGNIXNNJNZ-UHFFFAOYSA-N 441.277 2.068 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)C1 1473794406 MLXCFAKJSCPTII-HRAATJIYSA-N 432.546 2.437 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCSCCCO 1495772427 FNYBCPFYAJMWCI-SJORKVTESA-N 444.609 2.284 30 10 IEEE CCOCc1nnc(N2CCc3ccccc3[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1503073948 ZPQDDVJDKSAIQM-YWBAYFEHSA-N 436.516 2.465 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(C)COC1 1504993992 KJJFOMYZFOSJJI-GOSISDBHSA-N 440.548 2.237 30 10 IEEE N#CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1505325496 IDEPTSOROOETMK-LEWJYISDSA-N 436.516 2.399 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507595623 SEVHCJDGBAWRJH-IBGZPJMESA-N 427.530 2.156 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1507635153 PVENPHFNFATSCO-IBGZPJMESA-N 443.573 2.089 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCN(C)CC1 1507677804 KKHKOKOBALPSRH-UHFFFAOYSA-N 427.578 2.212 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C2OCCO2)c1 1507711267 SCXJZHQQCRZNHL-FQEVSTJZSA-N 426.517 2.352 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1507723796 UYUYEVMPXOHCKD-RXVVDRJESA-N 436.560 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(C)CCCS2)CC1 1507735734 GBCJPSIFQHVMIP-JTSKRJEESA-N 449.621 2.254 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCCOC2)C1 1508085808 JKRURWVWZTUGEF-JOCHJYFZSA-N 431.487 2.456 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1508159946 CDPCWRGOPIMUCP-HNNXBMFYSA-N 431.628 2.013 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508163460 CYOJFPCJQJUVDW-GOSISDBHSA-N 432.638 2.283 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1517105331 GADXAVMKYKXKFX-MOPGFXCFSA-N 429.546 2.115 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1521128588 FASKGUXMZYQXHE-WMZOPIPTSA-N 449.964 2.076 30 10 IEEE Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c(C#N)cc1N(C)C 1524356939 NWFAMKZLOUYDLB-HNNXBMFYSA-N 429.521 2.339 30 10 IEEE CC(C)CNC(=O)[C@@H]1CSCN1C(=O)COc1ccc(C#N)c(Br)c1 1537390796 AFPUUJBPRAUZRZ-HNNXBMFYSA-N 426.336 2.373 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1539128112 UWDVQRXYVGDFGU-UHFFFAOYSA-N 430.512 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1539475850 DQKZPRCMQXEJHG-BBRMVZONSA-N 431.352 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCN2CC)CC1 1539480479 AALFEJLUVGNCPQ-NHCUHLMSSA-N 442.608 2.012 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539848185 MRHKEEVQKAOKRE-MRXNPFEDSA-N 439.582 2.204 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 1543702164 DBMPWHCXLOORAD-HXUWFJFHSA-N 436.508 2.423 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1554515940 ZHFUKNCAOLHZPZ-OALUTQOASA-N 425.489 2.012 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1555633549 PLUXWNDLPQTUPW-IRXDYDNUSA-N 439.520 2.318 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC2(CCNC2=O)CC1 1558211946 CEVAYPFUYPLHPA-UHFFFAOYSA-N 436.306 2.227 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561699952 GRJWXIWBVPQINK-GFCCVEGCSA-N 449.220 2.020 30 10 IEEE CC(=O)SCCCCCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1567854492 AHTNQCMMKLADQN-AWEZNQCLSA-N 425.576 2.460 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN1CC(F)F 1584640556 OKBMAHCDTCFEBU-HNNXBMFYSA-N 442.532 2.131 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1587621397 TVJGBPIWKGQDCM-INIZCTEOSA-N 447.543 2.220 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1 1588224034 NHMVOCBLAYWYMR-KRWDZBQOSA-N 430.434 2.349 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1CCOC1 1588228643 IVGRAHCXZZRYAZ-HXUWFJFHSA-N 433.560 2.342 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1589171516 IKKIPSVZCNFNBI-AVIJNYRZSA-N 426.517 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1589177535 KJUIURICHHRTMI-UXHICEINSA-N 434.949 2.140 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 1594218495 HXHNVMUELPQDAX-UHFFFAOYSA-N 429.546 2.280 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1595275653 KBRMJAJFVDKLOJ-UHFFFAOYSA-N 441.499 2.480 30 10 IEEE C=CCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453523 YWLCPEAKSLSYRJ-CALCHBBNSA-N 440.552 2.351 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)(COC)CC1 1595496681 DBTPQNOFDREPHX-UHFFFAOYSA-N 428.493 2.408 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)s1 1596047373 NIZVLYRGTYMKCW-OAHLLOKOSA-N 435.571 2.111 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1596282119 CUAJJPHCWUGQAQ-DEOSSOPVSA-N 446.559 2.111 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCCO 1603669553 PLHAQWMJOXGYNA-UHFFFAOYSA-N 430.528 2.213 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)cc1 1612145316 VCMSDCRPYBQTFW-FPOVZHCZSA-N 441.532 2.338 30 10 IEEE CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1613077540 UBPZJLPTZMKKLC-QHCPKHFHSA-N 448.531 2.103 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1619770241 BZWPDOUZPHSOOE-VLVHOKLOSA-N 425.533 2.465 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1cccc(Br)n1 1619912103 QSSOQVCJUHFTLI-UHFFFAOYSA-N 443.309 2.307 30 10 IEEE C#CCCCS(=O)(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1622666484 BNQUEEHSJRIJBO-SFHVURJKSA-N 429.380 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1626695082 OHWLVOIJMYBKKZ-OTWHNJEPSA-N 444.507 2.370 30 10 IEEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1631611158 SEIOZZURSYCHSG-UHFFFAOYSA-N 425.489 2.460 30 10 IEEE C=C(Cl)C[C@H](NC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC 1632067112 JWQHCSQYYMCVFR-DJJJIMSYSA-N 429.901 2.333 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1633298448 UDNASWIQBBNXOD-AWEZNQCLSA-N 434.436 2.231 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)C1 1634555459 YHLJAAUGZITGIT-OAHLLOKOSA-N 427.364 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3cncc(C#N)c3)nn2)CC1 1635328657 DVCHXTJTQNCTJR-KRWDZBQOSA-N 425.493 2.437 30 10 IEEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c(C)c12 1638863092 CIQYZYKNTXHRJM-UHFFFAOYSA-N 446.555 2.464 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)cc1 1643850569 UWIFFFJELAKICX-MRXNPFEDSA-N 444.413 2.487 30 10 IEEE NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)co1 1645936948 HTJBJBACYANHLI-KNVOCYPGSA-N 442.284 2.170 30 10 IEEE C=CC[C@@H]1CCN1CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1648553800 NVXNNRHIURZFAL-CLXYIWAZSA-N 445.566 2.383 30 10 IEEE N#Cc1ccc(N2CC[C@@H](N3C[C@@H]4[C@@](C(F)(F)F)(CCCS4(=O)=O)C3)C2=O)cc1 1648566278 YUXSUMLADJHLSG-JFIYKMOQSA-N 427.448 2.105 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](CO)c3ccc(OC)cc3)ccc2c1=O 1651068944 BKFPVDITPBZNAV-INIZCTEOSA-N 425.510 2.386 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@](O)(CN(C)C)C2)n(Cc2ccc(F)cc2)c1C 1659181589 RLRMXWOVTWZKBK-DEOSSOPVSA-N 441.551 2.491 30 10 IEEE C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1669073110 NOCIHYYZNSCLMC-UHFFFAOYSA-N 444.557 2.113 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2cccc(COCc3ccccc3)c2)c(=O)nc1O 1675807995 HSPXVMLOQFXUER-UHFFFAOYSA-N 433.468 2.037 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1689849336 KLCMICKVAJHWOK-GOEBONIOSA-N 437.591 2.326 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1689850964 JYIQVQJLCBQHCH-KSZLIROESA-N 445.564 2.304 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)c1ccccc1 1690102980 ZDLVWNRGYLYNLP-LJQANCHMSA-N 432.546 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(F)(F)CC2)CC1 1690144181 OJZZUOCPQCUKHS-QGZVFWFLSA-N 448.518 2.021 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1690224088 ATFXOAXPEXBQMJ-UHFFFAOYSA-N 433.354 2.112 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)c2ccco2)CC1 1690417436 RJSPVHGCKQTFRX-HKUYNNGSSA-N 429.521 2.428 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1690592926 NFOHONCHUPYIEK-QHCPKHFHSA-N 436.516 2.176 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC 1690602486 QMKPJRHLXBVOFP-UHFFFAOYSA-N 436.516 2.377 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)nc(N2CCCC2)c1 1690622047 GTHVBGDHPPZPIF-LJQANCHMSA-N 439.564 2.220 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1690666755 FPZMTEJMSKYQPG-UHFFFAOYSA-N 425.468 2.462 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690749236 WGKRQIQWJMVJPE-QGZVFWFLSA-N 430.553 2.483 30 10 IEEE CC(C)CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692383758 NFPWQYFBFBRKGM-HXUWFJFHSA-N 443.596 2.143 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1692856467 CLMRBYOJOVSBFT-NHCUHLMSSA-N 427.484 2.309 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696588229 BBTIDRJIFGRBDO-UHFFFAOYSA-N 437.891 2.222 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC(=O)NCc1ccco1 1696688257 JRHPUPFGKYRJRX-UHFFFAOYSA-N 428.456 2.153 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1 1696808991 ISBJJOLHWALPPE-UHFFFAOYSA-N 431.493 2.392 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H]1COCCO1 1697611733 DXKOYLHREQJADL-KKSFZXQISA-N 431.468 2.113 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1697859447 HWUACOUYMVYSGE-IBGZPJMESA-N 426.521 2.118 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(CCOC)c1 1705480359 QUOLFOMOIZNUTD-CQSZACIVSA-N 446.353 2.395 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCCC2)c1 1705506667 DSYDMHINVSFZOW-HXUWFJFHSA-N 436.560 2.324 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1705533357 LTWIEZJKZAALME-AZUAARDMSA-N 434.544 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@H](C)C1 1705582525 CQELOHONVWZNEF-NRFANRHFSA-N 446.603 2.257 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1705605960 IBUOKMZCHRCBBF-LJQANCHMSA-N 436.329 2.373 30 10 IEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCC(=O)NC 1705681828 HQNYKZOCDBBXGM-UHFFFAOYSA-N 438.326 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1705898243 GHXNHQSEOIZYCQ-UHFFFAOYSA-N 448.531 2.127 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705905894 KZLZSISVOPKVGC-INIZCTEOSA-N 431.562 2.007 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOCC 1705908788 HNRFQZGPLZPPGB-INIZCTEOSA-N 436.557 2.125 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)c2ccccc2)C1 1705925458 PPNAAPBURUPDID-ICSRJNTNSA-N 445.589 2.098 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705945830 SRQSXVOYVUHNBZ-UONOGXRCSA-N 433.500 2.206 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1706058079 XOLJPHATNLEEFF-HXUWFJFHSA-N 431.500 2.396 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1)S(C)(=O)=O 1706081970 IMPISQWMRIMHFQ-MSOLQXFVSA-N 442.589 2.336 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1706345906 QUHCPCWSJMXXAF-MMDUXOIOSA-N 436.516 2.333 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCCO1 1707951740 NOORIOZMFZBKLZ-XLIONFOSSA-N 438.532 2.069 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1712796763 INWUUBGRTCGHNC-UDJKBAMHSA-N 441.561 2.444 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](COC)OC 1722402311 UHEKAVPQRJHUFC-OTWHNJEPSA-N 445.564 2.173 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722452264 OILYYAZSBMLDLG-LBPRGKRZSA-N 437.367 2.069 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(CCO)Cc1ccccc1 1722486775 DHAUOEIITUGXOB-UHFFFAOYSA-N 434.338 2.308 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CO)CC1 1722501573 GFISHXAMLBSFDR-PXNSSMCTSA-N 445.589 2.460 30 10 IEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722683941 FZZJCFLJVZGLRC-UHFFFAOYSA-N 440.367 2.284 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722737818 SDSDMTUHYRBZOT-UHFFFAOYSA-N 442.593 2.381 30 10 IEEE CC(C)(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1722908465 SQLGGYJPZXNFEH-ZCXUNETKSA-N 429.569 2.023 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1723119508 REYYVMNEZHDXCE-VXKWHMMOSA-N 443.573 2.239 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCCCCC1 1729066333 AOCDKHKDWJKASD-UHFFFAOYSA-N 439.564 2.493 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC(=O)NCC(F)F)c1 1740562735 NCNLYNCTPXOKPA-UHFFFAOYSA-N 444.486 2.373 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740566630 IQNYXBDQJNRCNY-DLBZAZTESA-N 425.599 2.476 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCc2ccccc2)c1 1740613193 XGPPZEMMMVZFAA-UHFFFAOYSA-N 430.512 2.492 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 1740658705 PPGVIHFPBQBRGI-UHFFFAOYSA-N 448.615 2.389 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740672620 NESURKMMJFCNPO-UHFFFAOYSA-N 446.577 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1740704250 MLDUUSTXJVAMOV-PGRDOPGGSA-N 446.555 2.455 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740794785 IEDACMRQYGSRGW-LJQANCHMSA-N 427.553 2.190 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)CC1 1740842186 QLKFEJTXAIBSTN-QHCPKHFHSA-N 427.549 2.335 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1740891291 XSDZJWIQIIZNNW-SFHVURJKSA-N 446.621 2.423 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCSC2(CCOCC2)C1 1740962470 FCFFLIAXWHWJJQ-UHFFFAOYSA-N 433.603 2.335 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2c(CC)nn(C)c2OC)C1 1740981114 MDCDTEDAHXFFTC-GOSISDBHSA-N 437.548 2.398 30 10 IEEE C=CCSCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1741004776 MAMVERDPLXIMFU-GCJKJVERSA-N 449.621 2.439 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCc1ccco1 1741170713 ODFKZFFVGIWMOM-UHFFFAOYSA-N 448.531 2.078 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1747827593 NUBDTNGFZOTNRW-GOSISDBHSA-N 444.561 2.070 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1748713647 CXAZSVOCFGSUOJ-AEFFLSMTSA-N 431.562 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1748831056 FLDMMSKKIZQEFM-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CC=CCO2)CC1 1749003649 QSFFDNDHHQQOKW-OAQYLSRUSA-N 435.528 2.265 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1749373236 IOJCJEGMJFZBHO-UHFFFAOYSA-N 429.569 2.037 30 10 IEEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749431201 ZUKYBYDCQSAKQM-GOSISDBHSA-N 425.537 2.306 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1749665774 CAUNJWSDJRFXTJ-HZPDHXFCSA-N 435.532 2.119 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749690588 UKPIMLLOIJNNAC-RTBURBONSA-N 446.573 2.409 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCC1 1751093017 HSRAJYZZYZRWPD-OAHLLOKOSA-N 431.566 2.282 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)[C@@H](C)CC 1760110717 RRZAPXGLRNCXSN-CKJXQJPGSA-N 432.594 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760125493 ZMPHBWHYSLLWAX-UXHICEINSA-N 439.560 2.427 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN2CCOC[C@@H]2C)c1 1760127322 WHOZFSOIWSZKGA-SFHVURJKSA-N 438.576 2.353 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C 1760146995 CZDRZRLCMSGLTF-SFHVURJKSA-N 439.545 2.232 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760364906 GGIJETBNPPLKKG-HXUWFJFHSA-N 435.960 2.435 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc([C@H](C)O)cc2)CC1 1760396568 FYOXQBHJJVWVHG-CVEARBPZSA-N 433.578 2.392 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCS(C)(=O)=O 1760501768 BKCXZTBWNFDKBI-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(c2ccccc2CO)CC1 1760520639 VJMHMIACTYTOAR-UHFFFAOYSA-N 434.544 2.462 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1760847121 PCZZRGRYIDVZTE-AVRDEDQJSA-N 442.495 2.395 30 10 IEEE CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1768249438 GTFCCHUHYDMFCA-IBGZPJMESA-N 429.546 2.430 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1(C)C 1769110922 BEFHEKFNZWGMQM-LJQANCHMSA-N 438.532 2.116 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)ON2C(=O)c3ccccc3C2=O)ccc1OC 1772789881 GMPGTIBCIMRWQI-UHFFFAOYSA-N 432.454 2.094 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 1851196261 QVOGHQGCDYNEHG-AWEZNQCLSA-N 445.435 2.473 30 10 IEEE CN1C[C@@H](CO[C@@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)CC1=O 1851325663 PVPXPDGFPGIIPN-HKUYNNGSSA-N 428.510 2.274 30 10 IEEE Cc1c(C#N)cncc1NC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1 1853022260 XVMSQLQJKYDEAI-OAHLLOKOSA-N 427.505 2.448 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@H]1C 1857184130 XGKUQKNSELSPHR-CYBMUJFWSA-N 447.900 2.282 30 10 IEEE Cn1cccc(C(=O)N2CCN(c3ccc(C(=O)Nc4ccccc4C#N)cc3)CC2)c1=O 1860842562 CZCWEXBUGDBLGZ-UHFFFAOYSA-N 441.491 2.472 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572900 OTSBFLNQQYOQEM-IBGZPJMESA-N 441.436 2.363 30 10 IEEE CCOC(=O)c1sc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(C#N)c1C 1866239363 LPUUBWFINYRKPI-GFCCVEGCSA-N 438.506 2.202 30 10 IEEE CCOC(=O)CN(C)C(=O)[C@](C)(CC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868796096 QIUZVFOKAHRMLN-VGSWGCGISA-N 448.589 2.331 30 10 IEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 1870151294 RHBCLUZSBBMVNW-HNNXBMFYSA-N 430.424 2.137 30 10 IEEE O=c1c(Br)c(N/N=C/c2ccc(Cl)cc2)cnn1[C@H]1CCS(=O)(=O)C1 1873527117 MGMRJYWDIFAQKZ-KXKLRXOYSA-N 445.726 2.465 30 10 IEEE C=CCOc1ccccc1OCc1nnc2sc(CCNC(=O)[C@@H]3CCCO3)nn12 1874787794 XGGVZHQAVCCTOO-INIZCTEOSA-N 429.502 2.167 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)C1 1891282013 GVECDYYKANLVTF-FCHUYYIVSA-N 449.536 2.033 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1 1891369772 CTVVEORZCJUBQL-UHFFFAOYSA-N 439.466 2.431 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 1984781001 PGHMRBLFRZSZQH-RNODOKPDSA-N 427.498 2.036 30 10 IEEE CCC[C@](C#N)(Cn1cnc(I)c1I)NC 1995387563 YNFCETIMUHVYFX-JTQLQIEISA-N 444.058 2.374 30 10 IEEE N#CC1CN(S(=O)(=O)Nc2ccc(I)c(Br)c2)C1 2046104779 VHJUZZNQVVNGND-UHFFFAOYSA-N 442.076 2.166 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2054380562 GTDJZORFYDPCRC-SFYZADRCSA-N 447.195 2.299 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060628394 WZJZYUIMSXIQPN-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC(O)C1 2067743646 SFPGEODTMICZDD-LRECYKSDSA-N 436.358 2.203 30 10 IEEE C=C(CS(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)B1OC(C)(C)C(C)(C)O1 2243416494 KFDVCNZMNNWGJZ-OAHLLOKOSA-N 430.376 2.397 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244603315 ODUCGNBXWOQZBW-HNNXBMFYSA-N 427.542 2.286 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2247961626 HJQPPVCBAVFLLX-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255636824 ABYRYJGWPATWNG-GOSISDBHSA-N 427.354 2.441 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2255826934 FLCFMGIUTIQKOD-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256617098 GSNHFJDGBXHQPL-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)OC1(C)C 2267096842 LSCVGLUVSHJJAK-XMMPIXPASA-N 436.365 2.447 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)n1 2267189368 ZKBMHRHIRJOVIW-GASCZTMLSA-N 448.373 2.285 30 10 IEEE Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267236652 DLCVFQCKKPUGMG-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267519956 LAJDVNBUEXICMY-UHFFFAOYSA-N 448.373 2.048 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)n1 2267525596 GVFZMNUFVKWJLM-UHFFFAOYSA-N 446.357 2.038 30 10 IEEE Cc1nc(NC(=O)[C@@H](ONC(=O)OC(C)(C)C)C2CC2)ncc1B1OC(C)(C)C(C)(C)O1 2268643598 KZFASELHNNCVJO-HNNXBMFYSA-N 448.329 2.258 30 10 IEEE Cc1nc(NC(=O)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)ncc1B1OC(C)(C)C(C)(C)O1 2268651125 UKZATUJSIBTTGI-ZIAGYGMSSA-N 444.341 2.136 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268677534 URKFBULRVOCQGJ-CVEARBPZSA-N 447.341 2.249 30 10 IEEE C[C@@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268705819 JNBMGOUHPMAAFF-QAPCUYQASA-N 448.369 2.439 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2269719387 SCCIXVIQMHENPR-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1C 2297741633 NGSUQVYOVGDNHG-NRFANRHFSA-N 437.496 2.153 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[nH]1 2315393013 XVNKPGQDBYXCSA-KRWDZBQOSA-N 433.358 2.159 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)n1C 2315524015 QREQANHHTVFJDX-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CCCOc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329012559 DXJQAOVDMWLDHU-MRXNPFEDSA-N 444.561 2.251 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(OC)c(O)c1 2331273778 PAFPZFLVDOPQQJ-UHFFFAOYSA-N 448.530 2.251 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263157 OGULWNCOAYYKKB-OFQRWUPVSA-N 446.357 2.227 30 10 IEEE CC(C)[C@@H]1C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OCc1ccccc1 2370889521 VMTGJBKJFNRKPG-PGRDOPGGSA-N 435.542 2.180 30 10 IEEE C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925079 JWFMNFGUHCRCAO-CQSZACIVSA-N 434.468 2.170 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCc3nnc(-c4ccccc4)o3)n[nH]2)cn1 59887530 YIZJLTPPUFAOIS-DJKKODMXSA-N 425.478 2.436 30 10 IEEE COc1ccccc1[C@H]1/C(=C(/O)c2c(C)nn(C)c2C)C(=O)C(=O)N1CCCN(C)C 102758491 VELKAUBCTFNVNE-LCPUNJGISA-N 426.517 2.419 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)c(OC)c1 103113019 HFXPEODAEOJKGG-VZCCSQPZSA-N 428.397 2.026 30 10 IEEE CSC1(/C(N)=N/O)CCN(C(=O)c2csc(I)c2)CC1 124461482 NDJAVEUZXMWKDE-UHFFFAOYSA-N 425.317 2.437 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 437581338 OZHAHCGTTROJTE-UHFFFAOYSA-N 439.516 2.449 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)CC(=O)Nc1cc(OC)cc(OC)c1 460790795 FPSAUMSZONXFMS-GOSISDBHSA-N 431.493 2.034 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@@H]1CCCO1 461369737 FEPKYIAXGFJQOY-APWZRJJASA-N 440.565 2.353 30 10 IEEE COCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1=O 461873736 XFINLFGQNUFNFS-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE CC(C)n1ncc2c1C[C@H](NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 481134679 BPEYHRKDSPAEKZ-IEBWSBKVSA-N 434.500 2.214 30 10 IEEE C=CCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 508834540 VFBXTDZYZTZNPQ-UHFFFAOYSA-N 446.502 2.337 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511965225 QTHQHOZPIVIBNE-LBPRGKRZSA-N 425.869 2.213 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(COC)c2)c1=O 524749300 QNLNJGDWSMYCRC-UHFFFAOYSA-N 440.565 2.355 30 10 IEEE N#Cc1c(CCCNC(=O)NCCc2cnc(C3CC3)nc2)nn(-c2ccccc2)c1N 533735634 WEEPJRLIYWYENL-UHFFFAOYSA-N 430.516 2.468 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(OC)cc(C)n2)c1=O 539596944 IEBXIUVZBGZADI-UHFFFAOYSA-N 447.516 2.202 30 10 IEEE N#Cc1cc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1OC(F)(F)F 571347437 VDLFXIPUQQHMRP-UHFFFAOYSA-N 432.424 2.489 30 10 IEEE COc1cc(CNC(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)ccc1C#N 574564120 VVEDTTKUZGLVQO-MRXNPFEDSA-N 439.468 2.262 30 10 IEEE COc1ccc([C@H](CNC(=S)NCCNC(=O)c2cccc(C#N)c2)N(C)C)cc1 586408660 OKPYLDXNVNYKJW-FQEVSTJZSA-N 425.558 2.064 30 10 IEEE COC(=O)C(C)(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 610824729 LEBRMBMGYDCBJN-BEFAXECRSA-N 443.525 2.282 30 10 IEEE C=CCC1(O)CN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 720901056 LVFGUDVDAAJSES-UHFFFAOYSA-N 426.130 2.105 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CCC(=O)N2C)cc1 744007175 CDPYSPGLEPASRC-PZJWPPBQSA-N 441.509 2.123 30 10 IEEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 744897866 DZWYMMQEUNHABW-OAHLLOKOSA-N 444.513 2.149 30 10 IEEE C[C@@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 745044863 KSVIZSBYNBUUHM-LLVKDONJSA-N 432.502 2.089 30 10 IEEE C[C@H](Cn1cncn1)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 749212104 CTGXVOZMNLADPY-LIDWSNAKSA-N 433.538 2.081 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757321904 MIMHKJKAMXLTDK-VFNWGFHPSA-N 449.463 2.119 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@H](C(=O)O)C1 757348516 HJCSLCYCPGMLCY-VXKWHMMOSA-N 448.475 2.229 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1 762214825 XSOKPTHSZVBRLQ-UHFFFAOYSA-N 434.464 2.312 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1C 765545643 RYRXEAJBFNBNIJ-LJQANCHMSA-N 442.589 2.237 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2cscn2)C1=O 767866377 SDAIPDPYMYVBKV-KRWDZBQOSA-N 431.587 2.385 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)cc(Br)c2)c1=O 772277230 NQIHTALUOOGDLA-UHFFFAOYSA-N 446.370 2.172 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)cc1 778679526 ANEZPHCZSURGTJ-QULHZPMSSA-N 446.492 2.469 30 10 IEEE C#CC[C@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccccc1 780842417 CQIQWNWVQXMRFD-VXKWHMMOSA-N 448.571 2.316 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 782554948 GTKMNKYSECHQBI-OAHLLOKOSA-N 449.504 2.419 30 10 IEEE CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)c1cnc(C#N)cn1 785844429 CUCHXOQVIUGEDP-UHFFFAOYSA-N 425.308 2.171 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 790537645 VITKRCPYZLAWDV-QHCPKHFHSA-N 443.548 2.175 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OCC)cc1 792747166 IHOJIITUBYVFIK-HKUYNNGSSA-N 430.574 2.497 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CC#N)CC2)c1 797538321 GEVMQOMPNGDGPC-XIEYBQDHSA-N 445.545 2.028 30 10 IEEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 798364070 IKLSUCAQQKNUSO-QFBILLFUSA-N 444.557 2.073 30 10 IEEE COc1ccc(Cl)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807939188 LPFOOGDLUHIIMK-INIZCTEOSA-N 448.936 2.278 30 10 IEEE C=CCC1(S(=O)(=O)NC(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)CC1 810985815 HZPNFVPDCCOVQL-GOOCMWNKSA-N 426.535 2.003 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 812174908 DVZXCHXEUYGBHY-GOSISDBHSA-N 447.561 2.294 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813711880 QZUORMMJKQCHKG-VQTJNVASSA-N 449.573 2.324 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3cn(CCO)nc3C3CCOCC3)CC2)c1 856689982 KQRKNDBFXYGLCI-UHFFFAOYSA-N 437.544 2.035 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@H]2COc3ccccc3O2)c1 916694041 QCQMOHIULLKCLM-GFDWPABASA-N 444.513 2.461 30 10 IEEE Cc1cc(C(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)ncc1C#N 1124256219 QLLAXPYHZVEPKC-UHFFFAOYSA-N 432.484 2.457 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc(C(F)(F)F)no2)C1 1138143798 YESMQURQWYEVEW-UHFFFAOYSA-N 430.184 2.475 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])C1 1154959827 YYRPMFKPTLUNOG-CQSZACIVSA-N 430.486 2.466 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)C1(CO)CC=CC1 1164312547 CTPHBDKRDGKNJV-DYESRHJHSA-N 439.537 2.411 30 10 IEEE COc1ccc(C(=O)N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c(OC)c1OC 1167590558 VUUWNKSBCINRQZ-UHFFFAOYSA-N 440.456 2.450 30 10 IEEE C=CCOc1c(Br)cc(CNCc2nnc3c(=O)n(C)ccn23)cc1OCC 1179473011 ISHZNVCLEAITKG-UHFFFAOYSA-N 448.321 2.444 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCn3ncc(I)c3C2)cc1 1228796842 VOVWDLNVCBLERT-UHFFFAOYSA-N 436.253 2.225 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1286369287 KMSGTKKWOCLGIA-SFHVURJKSA-N 433.560 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CC(=O)N(CCOC)C1 1286399413 GMRGINPEGSRRSZ-NRFANRHFSA-N 445.567 2.316 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(CC)C1 1286449912 KMSFPXOBGHJFNA-QHCPKHFHSA-N 449.647 2.444 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 1286507804 CGJUVTUAODFRFB-NVXWUHKLSA-N 434.587 2.450 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1286521998 HANWHOUEFGIXAA-XMMPIXPASA-N 447.543 2.053 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@](=O)CC)CC1 1286644663 FJCKLOHSRYOHKS-GDLZYMKVSA-N 436.607 2.163 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286763890 XTLCIWOBHQNFKF-JOCHJYFZSA-N 442.541 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCC(=O)N(C)C)C1 1286806761 XUUNKJGAMGSEQN-QGZVFWFLSA-N 427.505 2.324 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286833148 WCVMZLIZUAGOED-IAGOWNOFSA-N 448.593 2.206 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1290978444 GYRGDWRSUQIRSV-HNNXBMFYSA-N 439.520 2.008 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 1294007491 FURJIDHZNMSWRV-JKSUJKDBSA-N 438.550 2.105 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1295793465 UZXKQZXICDFZEY-KBPBESRZSA-N 439.509 2.498 30 10 IEEE COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)Oc1ccc(F)cc1 1295877044 GAYXPODQCIMHON-IBGZPJMESA-N 448.472 2.254 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(C(F)(F)F)c1 1300553654 NRJUSXWRKJAZIH-UHFFFAOYSA-N 430.434 2.439 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1300578910 KEDUFZBBKXHLCX-VWLOTQADSA-N 444.539 2.299 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCS1(=O)=O 1300655272 UUTNKAOQALXYTF-MRXNPFEDSA-N 437.953 2.047 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@H]2CC(F)(F)CO2)n1 1300680979 IJWRZWDPWJVJPO-SFHVURJKSA-N 434.491 2.453 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301240584 CXTRWJNSYGSXRT-KRWDZBQOSA-N 449.577 2.017 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(F)ccc2C1 1301588786 JLDUDMMKJXYXJR-GOSISDBHSA-N 434.537 2.475 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC2(CC1)OCCO2 1301617821 JEYZBSCIRJTZEV-UHFFFAOYSA-N 435.594 2.442 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1301955834 ADMUPVMGJUXAPU-VHDGCEQUSA-N 437.342 2.182 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1302090273 YHIRKKUENCREMF-UHFFFAOYSA-N 444.543 2.316 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1302204908 QWWOUNUDIANDES-MJGOQNOKSA-N 449.559 2.084 30 10 IEEE CON(C)c1nnc(CSc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1302359579 GLUNCFCIKVGBIC-VHEBQXMUSA-N 428.518 2.403 30 10 IEEE Cc1cc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c(C)n1-c1ccc(C#N)cc1 1303050573 UJMXHNULEACBMA-JOCHJYFZSA-N 435.572 2.492 30 10 IEEE C[C@@H]1SCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1305250793 CJXPYPZPJFYLRT-OTHKZKBOSA-N 446.577 2.376 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)cc1 1310132031 YACAPZMJMPQXGA-INIZCTEOSA-N 447.517 2.133 30 10 IEEE C#CC[C@H](COC)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1313088229 PYUYEXHPUJFELN-QGZVFWFLSA-N 442.520 2.130 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1 1316102513 XJVHNLPZCZMZTC-CQSZACIVSA-N 439.442 2.200 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1316476565 ZFFJKATZAMBSHA-UHFFFAOYSA-N 448.618 2.430 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 1349660996 OTHOSANZIJFTPG-IBGZPJMESA-N 442.497 2.434 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1358958191 JKIWJJLIRIYTPQ-MRXNPFEDSA-N 443.529 2.380 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1359013286 RRMXCDLQZWMPBU-UHFFFAOYSA-N 435.507 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCO[C@@H]1C 1359019886 KWMLIHWPHVIYKY-VFNWGFHPSA-N 436.459 2.172 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2[nH]1 1359049266 LLHHPAIHJJLBKE-OAHLLOKOSA-N 446.602 2.372 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1359057971 OMFUVVZZNJOADX-FXAWDEMLSA-N 441.557 2.262 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1359240408 NOMIJMYWQBLZAD-SFHVURJKSA-N 449.552 2.104 30 10 IEEE C=CCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1359290944 XFQPIYTUPGLRGV-JOCHJYFZSA-N 426.496 2.454 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@@H](O)C2)C1 1359312675 ZGNCWINUYIGQQU-KZNAEPCWSA-N 426.521 2.258 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC(C)CC2)C1 1359313173 HXAOUOOVYWCOJS-NZQKXSOJSA-N 433.597 2.443 30 10 IEEE C=CCN(C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1435898994 ANAXYRAKIUTKOZ-SFTDATJTSA-N 449.507 2.316 30 10 IEEE Cc1cc(S(=O)(=O)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)ccc1C#N 1464462150 ALYHETRWPFSCRO-UHFFFAOYSA-N 428.514 2.196 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)c1 1469675316 SKAVCQRSQDPCPT-UHFFFAOYSA-N 447.470 2.140 30 10 IEEE CC(C)(C)[C@@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1473828306 ZDTYWWHXSFVOMY-JXFKEZNVSA-N 441.576 2.203 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)nn1 1476221299 VHQTWNMTEJQNMN-UHFFFAOYSA-N 426.502 2.264 30 10 IEEE C#C[C@H](NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1)C1CCOCC1 1479009921 WAYOEQAEBBHAMC-HNNXBMFYSA-N 439.463 2.167 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1492911607 MBJWGFVYYHFOIY-ATZDWAIDSA-N 429.569 2.409 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)OC 1497386051 SQMRBOMTLUTHHA-BPQIPLTHSA-N 427.461 2.268 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1504599968 VKCPCMWLJBBNQM-GOSISDBHSA-N 441.511 2.185 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCCC2=O)CCO1 1505321892 FZNLULNGQDULNH-IBGZPJMESA-N 426.496 2.139 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1507515233 WFTWZTMRGCKJNC-HNNXBMFYSA-N 448.474 2.214 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1507571997 UHOPRRNCPCKHPW-UHFFFAOYSA-N 438.507 2.029 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 1507623954 ZSPOCPIVVMFEIG-GOSISDBHSA-N 447.630 2.148 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1507663404 ZFOBLLVQFBFLJE-NRFANRHFSA-N 434.588 2.443 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@](C)(CC)O1 1507702676 MPWQKMKBSMUKMU-VGSWGCGISA-N 426.521 2.359 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1507721123 YUAXPWADMRLWNF-DPLHUUCSSA-N 445.608 2.279 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507784986 NRFXJFASCDQSHN-HIFRSBDPSA-N 439.358 2.121 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CC)CCS(C)(=O)=O 1507802470 ATBJRCYVOBPIQY-UYAOXDASSA-N 433.578 2.116 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1508018044 ZZWBVWIFZYOSRZ-LEWJYISDSA-N 436.560 2.309 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1508221031 PAQCXDUPNFNRAP-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)CCOC1 1509816464 NFJNHSRIXUADNR-SFYKDHMMSA-N 446.596 2.168 30 10 IEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)cs1 1510636634 BOMSTINOOIGZFW-UHFFFAOYSA-N 430.559 2.220 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC1([S@@](C)=O)CCC1 1517106914 BCMXYIQHMHZZDG-WJOKGBTCSA-N 440.573 2.210 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1517561619 CTUMSUZEKDXDRI-LJQANCHMSA-N 437.548 2.038 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 1527788144 TXCAXBILASEYFB-LJQANCHMSA-N 428.529 2.498 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1534507960 CWYPCXKJDLSRIL-UHFFFAOYSA-N 449.429 2.433 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(Br)c2ccccn12 1535349484 DGZBMOURBQKMGV-LBPRGKRZSA-N 426.278 2.109 30 10 IEEE COc1ncc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1C#N 1535490703 HOHDUYAMBRSFRE-GFCCVEGCSA-N 426.907 2.469 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539140341 SXCQCPNIPIHNGS-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCN1CCN(Cc2ccccc2)CC1 1539187011 YPTYKDLRJDYQDC-UHFFFAOYSA-N 429.572 2.151 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCS1(=O)=O 1539307556 VSBLFEGVEYLINP-QGZVFWFLSA-N 431.949 2.424 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1539350665 UKMKIESNSYNHOA-INIZCTEOSA-N 432.546 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCc1cccc(C)n1 1539413956 PLLJYHBYNKFUTK-UHFFFAOYSA-N 436.516 2.428 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C(C)(C)C 1539416418 NVABHGKJBYRAMP-IBGZPJMESA-N 441.532 2.039 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1539666913 BXVMCQYVUJOJRN-INIZCTEOSA-N 445.572 2.367 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O 1539816250 STSJOELLFPYSFO-IRXDYDNUSA-N 444.598 2.094 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCOCC1 1540181866 BFGWXVMKCJYUBC-UHFFFAOYSA-N 443.548 2.274 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCO[C@@H](c2ccccc2)C1 1540909060 WEVXOIPVOBNPNP-LJQANCHMSA-N 434.562 2.383 30 10 IEEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1541894905 GGGGYCRKRHMMTG-UHFFFAOYSA-N 443.502 2.263 30 10 IEEE Cc1nnc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)s1 1543124564 IDPCKTKRVGBDDB-QGZVFWFLSA-N 425.518 2.411 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1)c1cc[nH]n1 1543783423 FOXZLYQWDSZLDB-HNNXBMFYSA-N 430.461 2.198 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 1543784502 RAPPHJDBKNNCMO-UWJYYQICSA-N 440.610 2.288 30 10 IEEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 1544078101 BAHPZOUHWYEUKG-UHFFFAOYSA-N 445.629 2.488 30 10 IEEE CCCCN(C)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547004678 ICXSDUNXUIUDNC-UHFFFAOYSA-N 433.520 2.002 30 10 IEEE Cc1ccn(CC(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(CO)C2)n1 1548366379 GALYJXFWSPCUHJ-UTKZUKDTSA-N 447.461 2.429 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1554121805 COTMRHXIBSSAGV-KZNAEPCWSA-N 447.536 2.490 30 10 IEEE CS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc([N+](=O)[O-])c1 1585090414 BUGUSLWIWJOKJO-UHFFFAOYSA-N 442.497 2.264 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064288 FLFSWFVTWMSYRP-LJQANCHMSA-N 434.606 2.454 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C(C)C)N1CCOCC1 1588445466 MNEITNHQPOERGR-GOSISDBHSA-N 444.605 2.086 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588647846 ZGHOXNVSIFLOFF-LJQANCHMSA-N 445.564 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2nncn2-c2ccccc2)CC1 1588891319 NPOVUPUSOPCIHJ-SFHVURJKSA-N 446.559 2.386 30 10 IEEE C=C(Cl)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1593933084 VPBQEKBGZVJFSQ-IBGZPJMESA-N 425.917 2.150 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1595543890 AYTIBXDCGNRYBF-KRWDZBQOSA-N 428.493 2.061 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1595551573 RXQNSYNQYMITEJ-KBPBESRZSA-N 437.953 2.377 30 10 IEEE CC(=O)NCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1596695798 HBODPDBLOFOLMI-PBHICJAKSA-N 428.562 2.386 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)CC1 1596947808 JBHWRBPPOVLUTP-WGSAOQKQSA-N 447.601 2.476 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 1611118481 VOUQUTKKKHEZDH-OPAMFIHVSA-N 438.488 2.269 30 10 IEEE O=C(c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)N(O)Cc1ccc(F)cc1 1611666820 CEXXOLOYRRYKBW-MRXNPFEDSA-N 434.445 2.181 30 10 IEEE Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCS(C)(=O)=O)cs1 1612392273 QZIJBZUZFHNDFZ-UHFFFAOYSA-N 430.559 2.187 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)N(C)[C@H]1C 1616142958 RUVOUOGARYZJOK-JIALETBLSA-N 432.951 2.385 30 10 IEEE C#CCCN1CCC(NC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1618544880 DGBFHAYHFPPFER-UHFFFAOYSA-N 440.548 2.014 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1618636831 XDKXECDGDDNGBU-HXUWFJFHSA-N 449.559 2.086 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1620353626 PLSGVIAMVIENRW-DQRAZIAOSA-N 449.490 2.274 30 10 IEEE CN1CCN(c2cc(CNC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CC1 1624697838 ZQHSQMMGOPNESA-UHFFFAOYSA-N 441.576 2.100 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nn(CCCOC)cc1C 1627920134 MAPAKGLCXYRFBT-KRWDZBQOSA-N 447.561 2.464 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1628895435 WFQVGOZCAFJPTQ-LJQANCHMSA-N 438.532 2.467 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704054 CALGBWSNDVKZCX-RDPSFJRHSA-N 442.560 2.399 30 10 IEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NOCC(N)=O)ccc1Cl 1631793188 JAIMRESWKXSJSP-UHFFFAOYSA-N 441.868 2.007 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnccc1C(F)(F)F 1633532700 SJHQCQWXVIXARI-UHFFFAOYSA-N 426.420 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1633870406 PIDCQHJZEHMSTM-SJLPKXTDSA-N 433.530 2.038 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)CCCN1C(=O)OC(C)(C)C 1634794960 IXTVWGAYPLOKMV-QHCPKHFHSA-N 426.322 2.457 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1638898214 SFVSSQOGQZTRGJ-BQIYRTECSA-N 438.521 2.422 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)c2cnc(I)c(O)c2)CC1 1639504139 RELNEJDOCWKNQK-UHFFFAOYSA-N 434.237 2.484 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 1641316428 WCGXSDQVRYLGIQ-CJNGLKHVSA-N 430.448 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[C@H]1F 1641801002 ZEPXMURVHBPBSZ-IAGOWNOFSA-N 428.468 2.403 30 10 IEEE N#Cc1cccc(ONC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1 1643518003 OVGGODCIRDXPRF-INIZCTEOSA-N 435.889 2.393 30 10 IEEE COc1ccc(CCC(=O)N2CCCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 1644492206 JTOOWBUGSPDEPF-OAQYLSRUSA-N 429.561 2.233 30 10 IEEE C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1649065738 MDQRCIQCPDXVAB-HXUWFJFHSA-N 435.933 2.255 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 1655557659 GNJFJMVMXRCCOH-DLBZAZTESA-N 427.567 2.404 30 10 IEEE COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N1CCN(C(=O)CC#N)CC1 1658692921 HZXYEXFKMVLEPX-AWEZNQCLSA-N 442.438 2.115 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c(F)c1 1664447892 HSDVCBUJTPENSQ-UHFFFAOYSA-N 448.495 2.012 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2CC(F)(F)C2)c1 1689870108 BUZAMIUTICLUIC-KRWDZBQOSA-N 442.470 2.331 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1689881051 DPHKYHJDFACZDH-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1690039367 CLZYQOMWELUAMZ-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690163904 VLIFALOJNBAIKA-INIZCTEOSA-N 445.980 2.400 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F 1690175197 ROBUDKPPMNEZPW-OAHLLOKOSA-N 440.541 2.461 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCNS(C)(=O)=O 1690212301 HBJLHIZWDYKNGJ-JOCHJYFZSA-N 445.589 2.405 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690753106 ZWBPGFTVXVZWAH-SJLPKXTDSA-N 445.593 2.446 30 10 IEEE Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1693042679 OHSFTTCABFGJIB-HMWBCQRISA-N 428.518 2.315 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)O 1698165118 OIEPRZCXXPHNDD-INIZCTEOSA-N 446.527 2.110 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1698492319 DWAANCAHKZUDJV-HUUCEWRRSA-N 438.410 2.243 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705565675 JLSIUXDMKSSSAY-UYAOXDASSA-N 444.557 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1705592156 QTPMPZBDAFYCPE-UHFFFAOYSA-N 446.960 2.001 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705734729 ANEIAYAGBRJDRJ-IBGZPJMESA-N 444.580 2.051 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705737525 TZZODCBKNXYMCV-UWJYYQICSA-N 441.532 2.440 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1705737541 UIURGXBMVQLLKL-QFBILLFUSA-N 426.608 2.106 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(=O)(=O)CC)CC1 1705772185 MXBSRSLNZXNANM-IAGOWNOFSA-N 425.599 2.292 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705819709 SHMMEEMVYJZSIT-QFBILLFUSA-N 447.561 2.275 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2COCCO2)C1 1705915390 UFJFLXDXFVNLBG-UXHICEINSA-N 441.532 2.344 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1705977126 LRFKLXAQEYWJON-NRFANRHFSA-N 438.532 2.071 30 10 IEEE CC(C)(O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1706200360 YCQACGRQUJOECM-UHFFFAOYSA-N 432.532 2.018 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1706259698 KKBVECJTCUQIBL-HSZRJFAPSA-N 442.564 2.487 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1710009302 HICNDCXVAXVJOD-KRWDZBQOSA-N 425.537 2.435 30 10 IEEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1712385402 HALQSEMYFPZZPP-IPMKNSEASA-N 447.536 2.377 30 10 IEEE CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712808900 HIBMXUVPVUNVDI-QGZVFWFLSA-N 440.577 2.245 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccn2)nnc1N1CCC(F)(F)CC1 1712913101 UIVCUBOAVWPKCP-FBMGVBCBSA-N 429.431 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722280484 FMIJQSOJWZJYER-FUHWJXTLSA-N 443.983 2.394 30 10 IEEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722309608 XUXCOGHAODNHRA-LJQANCHMSA-N 432.569 2.143 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1722370800 QPOAYRVWXCADQX-CYBMUJFWSA-N 428.967 2.205 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1722380709 VVOKYFYSYOHORJ-GOSISDBHSA-N 429.528 2.399 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722534220 JAAGFNABTNBGLK-GOSISDBHSA-N 425.537 2.070 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1722595328 VZVBQSAFZLHMGS-RBUKOAKNSA-N 445.589 2.400 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722644732 MMGKBKYZOQKQNR-ZWOKBUDYSA-N 442.568 2.125 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722684172 YYTVMNHIFUOBFR-UHFFFAOYSA-N 434.903 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(COC)CC1 1722693447 OCPCZFJUVNDXDJ-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE COC1(C(F)(F)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1729908252 SCJISGXQNJHRGY-RHSMWYFYSA-N 429.443 2.055 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OCCOC 1740530977 CHMOCGAHHAITEV-QGZVFWFLSA-N 434.500 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1=CCCOC1 1740560750 PANDHXAZKUVXNQ-NRFANRHFSA-N 434.588 2.447 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1740566977 LWJVRWLACKKPCB-RTBURBONSA-N 436.626 2.004 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1740695686 AYKMRJLGYIMVCG-HSZRJFAPSA-N 449.647 2.443 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CC)C(=O)C1 1740752636 YSTVODMSDPMQSY-FXAWDEMLSA-N 446.596 2.236 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1740965264 MZJCHDHJXKPMCF-ULQDDVLXSA-N 446.552 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCCOC1 1740992146 BKLUPRBAGDMOIC-SFHVURJKSA-N 436.553 2.472 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1741004808 MSNYIRONXZGLHC-MRXNPFEDSA-N 427.640 2.499 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1744199287 ILUWBQRVULUWPV-QFIPXVFZSA-N 438.532 2.139 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1747356791 XCBAJNNCROCAPS-XLIONFOSSA-N 440.548 2.221 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)CC(F)(F)F 1747948923 IABOWEJSNRESAO-DLBZAZTESA-N 447.465 2.026 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1748656268 PFSADYPKPKGBKM-VLIAUNLRSA-N 448.365 2.241 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1748808925 IZRUENOMKCFUBH-OAQYLSRUSA-N 446.536 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCN1CCN(C(C)=O)CC1 1748872846 HKFJHFMPDOUEFZ-UHFFFAOYSA-N 444.539 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1748889735 DUFWOSGINYBPNY-OAQYLSRUSA-N 440.569 2.228 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1749317344 RVQYEOVXKQNIOA-HKBOAZHASA-N 432.613 2.185 30 10 IEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1749383483 YCAVYEJVJGIAIG-GOSISDBHSA-N 426.546 2.273 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1749625919 DCQKZYLSZANMQD-QGZVFWFLSA-N 428.924 2.421 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749671039 YCVYTTPBWQULOX-GPJFCIFZSA-N 430.597 2.175 30 10 IEEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1750036383 RLJPRUIBIVRKIW-UHFFFAOYSA-N 430.516 2.370 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760143987 ZCOBUVLPVCWNRS-UHFFFAOYSA-N 438.532 2.100 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760155576 BSHNLHFEBYWKEY-QGZVFWFLSA-N 428.562 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ncn(C)n1 1760199241 WJNQXJMZIYVGRR-UHFFFAOYSA-N 428.269 2.096 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CSC)c2)CC1 1760252179 NCBLBAJAFZACOQ-UHFFFAOYSA-N 426.590 2.083 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCOCC2)CC1 1760254738 IYDWFLSQMACZQF-UHFFFAOYSA-N 433.354 2.218 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760277214 DFMIIIUCLJZUME-SJLPKXTDSA-N 444.513 2.443 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1760295932 WULDINBYHQELOO-XQBPLPMBSA-N 433.622 2.293 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)N1CCOCC1 1760310888 GXSAEMLRAQMZHS-UHFFFAOYSA-N 440.367 2.134 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1760353530 VHHGASXRPLAPDW-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=C(C)COCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760361395 KCSXKZJNMVVKNB-QHCPKHFHSA-N 449.596 2.359 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC(=O)N1C 1763179331 URDSTWFBVACOCN-LPHOPBHVSA-N 438.532 2.211 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1767183726 CYHIOXJSHZCAII-FQEVSTJZSA-N 426.502 2.221 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1c(O)nc2ccccc21 1769996522 YMPNTOCVERCUSL-QVKFZJNVSA-N 443.483 2.200 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CCC(n4nccn4)CC3)C2=O)c1 1854956093 WYFAAMDCSYMWJH-IBGZPJMESA-N 426.908 2.466 30 10 IEEE C=CCN1C(=O)C(NC[C@@H]2COc3ccccc3O2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545674 IUMHJEYGNNAIRJ-GOSISDBHSA-N 433.464 2.341 30 10 IEEE CCCCCCCOc1cn(CCCN(C)C)c(CN2CCN(CCO)CC2)cc1=O 1870411593 GMGIECAFDSJCLC-UHFFFAOYSA-N 436.641 2.259 30 10 IEEE COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3cccc(C#N)c3)C2=O)cc1OC 1873866350 CZJBFWQRRAFVAW-GOSISDBHSA-N 436.468 2.457 30 10 IEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccn1C 1874339423 VWLWCAUNFXAORD-FPQGOQEYSA-N 432.550 2.268 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cc3cccnc3Cl)CC2)CC1 1891060293 TVVCLRPDFQGFAV-UHFFFAOYSA-N 432.996 2.315 30 10 IEEE COc1ncc(Br)cc1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891289275 CXBKYGVRQDRITD-UHFFFAOYSA-N 432.278 2.446 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2cc(N)ccc2Br)CCN1Cc1ccccc1 1914859691 DZDGDGNMAHAMNV-INIZCTEOSA-N 435.347 2.430 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2010228069 XEDSYVOGGXPHMD-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060622028 UTBGSMODGXJIOG-ZHCJQAHYSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1COC1 2060626304 VVNPQEHOILZTJD-QGZVFWFLSA-N 432.326 2.464 30 10 IEEE COC[C@]1(C)COCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172784441 ONDVSZTZPOZJEO-GOSISDBHSA-N 427.148 2.385 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390139 PHFAWPUNGBGANC-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247922223 DQSUKKJJKMOVFD-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2266748013 NOSCOPFMRMIYBM-HUUCEWRRSA-N 447.341 2.328 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267127055 FYHLXTGUPCHEBA-GOSISDBHSA-N 438.381 2.313 30 10 IEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2267228973 RCUCWEVAULTKBV-QZTJIDSGSA-N 446.353 2.004 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267291659 TUVSIUXYFRVDJK-XUJVJEKNSA-N 443.275 2.232 30 10 IEEE Cc1c(C(=O)NCc2cnn(Cc3ccccc3)c2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493560 KENAYYQDKKSONP-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267498433 ULNATERRUXTDJV-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CCN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267523876 IBTOFVUJGFQTDM-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268699584 GYKFWWLHDBFMOR-SFHVURJKSA-N 446.353 2.104 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269072656 AKZGMRSDHDTTGD-FQEVSTJZSA-N 438.333 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@H](N)C#Cc2cccc(Br)c2)C1 2278791139 WYXQVVVWBRWCQR-HZPDHXFCSA-N 443.363 2.162 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@]2(Cl)CC2(F)F)OC1(C)C 2282841219 SXSQINHLQPPTRI-AWEZNQCLSA-N 427.731 2.483 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2317674703 IRRMUAOSDPZQCA-QGZVFWFLSA-N 434.342 2.255 30 10 IEEE COc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)cc1OC 2329175609 OBSFDBVCXZRGQB-UHFFFAOYSA-N 441.513 2.376 30 10 IEEE COCCc1nnc(SCCCO)n1N=Cc1cc(Br)cc(OC)c1O 2331305503 LWVPTHUWBKBIOZ-UHFFFAOYSA-N 445.339 2.300 30 10 IEEE CN(CCC#N)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1 6296593 DIJINQOLOLKGCJ-UHFFFAOYSA-N 438.509 2.035 30 10 IEEE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 33390448 AYAHMIUUEATELJ-WJDWOHSUSA-N 432.571 2.403 30 10 IEEE C=CCn1cnc2oc(C)c(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)c2c1=O 222760299 JVRNKGHRKSDKIT-UHFFFAOYSA-N 427.549 2.164 30 10 IEEE C[C@@H](C/C(N)=N/O)NC(=O)c1cc(Br)ccc1I 235103082 XDJAFJLRULAUQO-LURJTMIESA-N 426.052 2.309 30 10 IEEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1OCCc2sccc21 429911469 SDTHVONMWMNKDN-QRWLVFNGSA-N 445.566 2.403 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)CC2)c(OC)c1OC 443944119 HDUFNVLYXIHNPU-UHFFFAOYSA-N 445.541 2.399 30 10 IEEE Cc1ccccc1O[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466170170 ILNVPEXLVANVIE-SFHVURJKSA-N 442.541 2.350 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 478847565 GQBWXUQIWZTTSP-MRXNPFEDSA-N 447.541 2.331 30 10 IEEE COc1cccc(N2CC[C@H](CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)c1 486502330 YNYRMIWOBWXNJC-NFBKMPQASA-N 447.539 2.493 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CCN(C)CC1 488495527 QTDLMHMEVLULGA-AVRDEDQJSA-N 432.524 2.448 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CN4CCCC4)CC3)CC2)cc1 498523815 MGMRZRCKJBKPKX-UHFFFAOYSA-N 444.601 2.293 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(n2cc(C(=O)OC)nn2)CC1 508931327 HHRUELIJMUQXQJ-UHFFFAOYSA-N 437.504 2.305 30 10 IEEE CN(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccc(Cl)c1 518443673 MKZWOZCFORJIPO-FQEVSTJZSA-N 446.960 2.347 30 10 IEEE Cc1cnc(CCN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 535099919 KLIRVXQWZZKDMD-UHFFFAOYSA-N 432.571 2.425 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)c1 537395266 SSLOOOHXJATLAP-UHFFFAOYSA-N 443.594 2.247 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCOC2)CC1 549694078 RZBGOCUERYEPDQ-KRWDZBQOSA-N 444.967 2.059 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2Cc2ccccc2)cc1 558928265 XJCAERUCZDEUFP-OAQYLSRUSA-N 430.512 2.298 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)OC(=O)c3cccc(-n4cnnn4)c3)cc21 586322793 CIGSURJJVXJPTP-CQSZACIVSA-N 433.424 2.002 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccccc2-n2cccn2)cn1 726111251 JNGNHYXBECTVPX-GOSISDBHSA-N 437.529 2.357 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OC 730086768 QZNXJAJRDCZUOB-WOJBJXKFSA-N 433.549 2.282 30 10 IEEE Cc1ccc(NC(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1Cl 733888852 HVZSWOJSIOXJST-VXPUYCOJSA-N 445.907 2.241 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 734923771 UDBAGPUYGMQZLB-KCZVDYSFSA-N 433.464 2.435 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(OC(F)F)c(Cl)c1 741339844 BUNSOHROFDMWLZ-WUKNDPDISA-N 443.790 2.340 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)c1 752834943 IGFFGMFHELLPKH-VQIMIIECSA-N 438.532 2.175 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCOC2)cc1 752845756 PPNXHGKEGYFGCI-CTNGQTDRSA-N 436.560 2.285 30 10 IEEE Cc1cnn(Cc2cc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)no2)c1 755554026 XOSKEXQEZMKPDC-LYBHJNIJSA-N 442.501 2.293 30 10 IEEE C#CC[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 757006793 YZEKLZDPAFKCJV-GOSISDBHSA-N 433.555 2.333 30 10 IEEE COC[C@](C)(CCO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 758227777 NGNLYBKACHNPTL-KNOQIOAQSA-N 440.566 2.189 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c1 760401897 PKUVZPFUFUVQRF-UHFFFAOYSA-N 441.575 2.251 30 10 IEEE C[C@@H](COc1cccc(C#N)c1)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 777319883 VWTZTVGHMXANQD-YJBOKZPZSA-N 431.489 2.384 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 779495184 YEYPGZWBXHJBFS-UHFFFAOYSA-N 431.537 2.163 30 10 IEEE Cc1nnc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)s1 779746421 ZWQDFEJOWAXSKS-HNNXBMFYSA-N 432.575 2.046 30 10 IEEE N#Cc1cccc(OCc2ccoc2C(=O)NS(=O)(=O)c2cnn(CC3CC3)c2)c1 781718470 GRTIQWVIEFVXFC-UHFFFAOYSA-N 426.454 2.455 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(CCC2CS(=O)(=O)C2)C1=O 786686767 HDRUUZMWMNBJQU-QGZVFWFLSA-N 437.587 2.312 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)n1 788819998 PXSNIZNYEBAEAX-UHFFFAOYSA-N 429.484 2.242 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)n1 790105546 PIYJUVQZTIUIHQ-UHFFFAOYSA-N 440.525 2.152 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C2CCN(C3CC3)CC2)C1=O 790747562 FFWKHEKKHNSRBP-SFHVURJKSA-N 449.646 2.374 30 10 IEEE C=CC[C@@]1(C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)CCCN1C(=O)OC(C)(C)C 800371188 SKRMKCIGJBMKCY-QHCPKHFHSA-N 444.532 2.447 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 806412532 AZBCHIADUAUKEU-HXUWFJFHSA-N 447.495 2.323 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@](C)(CO)c2ccc(O)cc2)cc1 808819875 RLCNEFUJKSKQEQ-AZJLSSPBSA-N 446.529 2.234 30 10 IEEE COc1cc(CNC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 811890249 MRDZBWHXBJCEKW-UHFFFAOYSA-N 431.537 2.309 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3OC)n2N)cc1 1084351750 OADLYTXMQNWAKC-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE CC1(C)CC(NC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)CC(C)(C)N1 1084453937 LQCSLDINCZYCCJ-UHFFFAOYSA-N 431.566 2.474 30 10 IEEE Cn1cc(I)c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)n1 1132134278 HLZDJVYQLPAIJY-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE CCOC(=O)CC(C)(C)CC(=O)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1140198542 HVGSULCXUIAPCN-ZHACJKMWSA-N 444.528 2.408 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)cc1S(=O)(=O)NCC#N 1140286153 UZPWLUZRTUANJY-GOSISDBHSA-N 448.545 2.024 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 1142404338 ATXGCCLBDPEGPM-GJZGRUSLSA-N 438.974 2.075 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1144923823 XCRUBHFXARWCLV-KBMIEXCESA-N 431.492 2.056 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)[C@H](O)C(C)C)nnc12 1161466996 BEVRPFLTTNXJJW-MAUKXSAKSA-N 429.546 2.234 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2ccc(C)c(I)c2)nn1 1193475760 KCEIGJHHCVKFQC-UHFFFAOYSA-N 432.287 2.246 30 10 IEEE CNC(=O)c1cc(O[C@H]2CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)ccn1 1195686029 CRTWMHZBNOAEJM-WMZOPIPTSA-N 425.514 2.023 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCn3c(Cc4ccccc4F)nnc3C2)c1 1195826017 XCFRDJGLNRNABX-UHFFFAOYSA-N 432.459 2.153 30 10 IEEE COC(=O)C1=NO[C@@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)C1 1197086886 OXJNCLVBIRYINP-ASSNKEHSSA-N 430.530 2.467 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1 1233850575 CHCVFGANYQWDRA-NILFDRSVSA-N 428.411 2.196 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCN1C(=O)S/C(=C/c3cccnc3)C1=O)C2 1254481247 LOOAQOCRLUSESV-KDCXGNEQSA-N 433.493 2.456 30 10 IEEE CSc1nc(O)c(C(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1C#N 1262729083 CBCNYOXPHNGLIW-UHFFFAOYSA-N 444.538 2.368 30 10 IEEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)C1 1280468380 SNBVEXIWYTZVAH-IBGZPJMESA-N 445.585 2.183 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286390084 WPVJKILIZLJQCE-INIZCTEOSA-N 441.557 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC(F)F)c1 1286398870 RTFVKMRWERGUCY-UHFFFAOYSA-N 443.454 2.245 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286700300 ZCXNSKGMQHLCNS-HMXCVIKNSA-N 430.597 2.127 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(CC(C)C)CCO1 1286729426 SRIYOMDKONALIP-QGZVFWFLSA-N 432.594 2.249 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1286788111 QHZJQHROUOQVGI-GHTZIAJQSA-N 443.523 2.173 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)C1 1286858985 GPGXBMZXSZSWJB-PKOBYXMFSA-N 434.548 2.371 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O 1286962582 CAIDBWYOULGNOS-AWEZNQCLSA-N 425.942 2.256 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287012838 UZQLTZAINHTZBT-JLMFCZBYSA-N 440.504 2.273 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCNC(=O)OC(C)(C)C 1288098312 QBQBNDJSGMRUPO-UHFFFAOYSA-N 433.557 2.461 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1291640499 FRYZPWVUAIUPRI-UHFFFAOYSA-N 437.285 2.398 30 10 IEEE Cc1ccc(COc2ccc(C[C@H](C)NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)cc1 1292749753 DBIAOOGYLURMEU-KRWDZBQOSA-N 432.480 2.455 30 10 IEEE CCOCc1nnc(N2CCCc3sccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297242981 PQJNBLXGRDGQAW-VXPUYCOJSA-N 442.545 2.355 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1300332757 NBDPMYFATILQQC-IBGZPJMESA-N 434.544 2.470 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1300337114 TVBGKKUKAPWWLR-HXUWFJFHSA-N 439.564 2.036 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C)C(C)(C)C1 1300549148 ZANIVAUJISUAJW-UHFFFAOYSA-N 434.588 2.264 30 10 IEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)CC1 1300751717 OZKOLDAPFBPXAJ-UHFFFAOYSA-N 434.363 2.400 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1300900207 ADCWTCFJUOXVLM-QFIPXVFZSA-N 438.536 2.357 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)c1 1301031697 HBZCYPIGUHQVHV-FQEVSTJZSA-N 426.538 2.497 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301500357 LPJBGSQDWVHIQL-QAPCUYQASA-N 427.505 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)C1 1301554354 FIGFHIJFOICIIB-RTBURBONSA-N 425.533 2.286 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)C1 1301566085 JYVZNCJHACJTKI-QGZVFWFLSA-N 446.939 2.309 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301610299 UWSSBFNXUDPNEV-UWJYYQICSA-N 431.537 2.385 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1301921974 YXDURCLZXMIFTO-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1303627648 MPORNSBMSKGDDP-NSHDSACASA-N 425.371 2.270 30 10 IEEE CC1=CCCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1304590027 BNYXAXQCXSOROT-FMQUCBEESA-N 439.545 2.317 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)OCC 1309760292 CXEIALBRPYKLAA-CYBMUJFWSA-N 442.843 2.331 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1316387658 NKUDYYAETRKMCD-QVKFZJNVSA-N 426.546 2.197 30 10 IEEE CSc1nc(O)c(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C#N 1318900105 MMKXYXOYNPGAKS-GFCCVEGCSA-N 433.515 2.067 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 1356065810 RDHRNDQYADLPAG-UHFFFAOYSA-N 442.541 2.372 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H]1C 1358885334 HXWWPHWLKVGBIW-IRXDYDNUSA-N 429.594 2.180 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358960287 AWTGHHBQVWCFFP-SFHVURJKSA-N 427.505 2.282 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359013134 MGMQNVJEJVKFRT-FCQUAONHSA-N 448.527 2.460 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N(C)C)C1 1359311566 DCOOKCFSZLSRQH-GOSISDBHSA-N 426.521 2.017 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)C1 1359321456 GKTHLASISOETGF-HZPDHXFCSA-N 437.591 2.083 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1359486303 XLMHOBFNNILPLB-GJZGRUSLSA-N 428.518 2.035 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CCCc3ccccc3)n2CC(=O)N2CCOCC2)C1 1360787941 HOIHGWBGXLUYBR-DEOSSOPVSA-N 436.560 2.442 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)C1 1455705249 OVJFVAIKGJTJGW-BJLQDIEVSA-N 447.601 2.189 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 1462532781 JHDOFVYYELQSIM-RMKNXTFCSA-N 425.554 2.364 30 10 IEEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1464042455 NJYSTJVQCHTYJE-UHFFFAOYSA-N 433.368 2.293 30 10 IEEE COC(=O)[C@H](NC(=O)CCCOc1ccc(C#N)cc1OC)c1ccc(OC)c(O)c1 1467265154 NPWWNXQBAAVNFM-OAQYLSRUSA-N 428.441 2.471 30 10 IEEE C#CC[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1469448470 PARKQHZFFYPZSE-MOPGFXCFSA-N 449.573 2.474 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(c3ncc(Br)cc3C#N)C2)nn1 1472861436 FJVGCRAMHWLLKF-UHFFFAOYSA-N 434.298 2.393 30 10 IEEE Cn1cc([C@H]2C[C@@H](NS(=O)(=O)c3cccc(Br)c3C#N)CCO2)cn1 1475446328 HYIHYBKEJXGVTN-SWLSCSKDSA-N 425.308 2.253 30 10 IEEE Cc1nccn1CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1492710894 FQAASZGFVJBQJX-QGZVFWFLSA-N 434.552 2.253 30 10 IEEE CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1503407099 DJSULTLYANZIBW-UHFFFAOYSA-N 428.562 2.478 30 10 IEEE CNC(=O)CCn1c(-c2ccc(Br)s2)nnc1N(CCC#N)CCOC 1503807904 AIOAFCHXZGMGAL-UHFFFAOYSA-N 441.355 2.272 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccs1 1504992927 BGMDGOFIGJDOMB-SJLPKXTDSA-N 430.578 2.483 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@H]4CCCO4)n3CCOCCCO)CC2)c1 1505317760 PRIPEKSGZQMGIU-OAQYLSRUSA-N 441.532 2.448 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507622340 HRQKIEUSBQCWJN-UONOGXRCSA-N 438.504 2.194 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1CCCO 1507658928 IRWAWTPAXCUQAS-NJDAHSKKSA-N 427.593 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1NC(=O)CC1(C)C 1507704298 WQCAHIADMGXCNS-HXUWFJFHSA-N 447.543 2.336 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507894642 IQIIKDWHSXTKPD-UHFFFAOYSA-N 445.589 2.434 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1508089308 JGXUCNLSAFDTQM-UHFFFAOYSA-N 425.493 2.083 30 10 IEEE C[C@@H]1CCCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512150919 VOVDGNYLYZAIAM-WFJJUKAGSA-N 428.537 2.325 30 10 IEEE CCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1516744030 IWBOPWXUCVANQE-MGPUTAFESA-N 438.504 2.065 30 10 IEEE CO[C@H](CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1517794598 JRZJPGKKOBNYLO-NVXWUHKLSA-N 435.454 2.484 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1519521638 INRVLUGDLIXTLL-UHFFFAOYSA-N 442.932 2.472 30 10 IEEE CSCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1520426076 HCSVHOZCOZOCDC-DLBZAZTESA-N 442.593 2.302 30 10 IEEE CCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](CC)C(=O)OCC 1522512404 GQTQELIWQOCCMJ-ROUUACIJSA-N 428.489 2.344 30 10 IEEE CC(=O)N[C@@H](C(=O)N1CC(=O)Nc2ccc(C#N)cc21)c1cccc(Br)c1 1535158773 AANHGRKXBABJIA-GOSISDBHSA-N 427.258 2.483 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(N(C)C)CCC2)c1 1539042019 BMISTFGQVIHLIY-LJQANCHMSA-N 436.560 2.323 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCc2nccnc2C)c1 1539046158 OABOVUMLIYBFAM-UHFFFAOYSA-N 433.516 2.212 30 10 IEEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1539053038 YHGVXIGITAUVPH-KRWDZBQOSA-N 446.349 2.462 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539211708 KFZMQROXTIPLEU-SFHVURJKSA-N 446.573 2.132 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(Cc3ccccn3)n2CC(F)(F)F)n1 1539424472 QJECEKQQMWLFSL-UHFFFAOYSA-N 433.438 2.309 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1539459327 DMZCTTBYALBINM-CTNGQTDRSA-N 434.544 2.157 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ncn(C)n2)CC1 1539462430 HDRDOECQGOTZKV-UHFFFAOYSA-N 442.980 2.156 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539516717 AWCBMBJPSQXIMY-UWJYYQICSA-N 430.578 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1539643258 LUDYMONJYGSJMF-ICSRJNTNSA-N 437.610 2.074 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCOCC2)CC1 1539836033 MBNGITYFYDGMQQ-UHFFFAOYSA-N 432.546 2.047 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539892329 YQZHBIVTLYYYFZ-JOCHJYFZSA-N 430.574 2.129 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@H](C)C1 1540028570 PLDBOEOBIQNNHV-GOSISDBHSA-N 437.552 2.044 30 10 IEEE CN(C)[C@@H]1CC[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@H]2C1 1540160121 GCNQKLXELPJHFQ-PCCBWWKXSA-N 444.601 2.148 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1555503037 MDPAVYHQKGWMPX-QGZVFWFLSA-N 440.548 2.221 30 10 IEEE C[C@@H](C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1556163116 PZSQFZPJWGJDOL-BEFAXECRSA-N 441.532 2.439 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1C 1557241316 RLSOZJAPYRQRIM-HXUWFJFHSA-N 426.542 2.191 30 10 IEEE COC(=O)CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)OC(C)(C)C 1557308820 ABBFNPBHPVZWQQ-KRWDZBQOSA-N 426.473 2.446 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](OC)C[C@@]1(C)CO 1557919789 XUNYDDCYHYIWHH-UGSOOPFHSA-N 427.295 2.097 30 10 IEEE CN1CCC(N2CC[C@@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)CC1 1565684663 YZHDUAMWLSQEGP-AAXCNWCCSA-N 445.608 2.058 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(OC(F)F)c(Br)c2)C1=O 1583393394 PSRMKNMEFBEOGT-UHFFFAOYSA-N 447.188 2.071 30 10 IEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 1584674261 HJEJQEFWCCQFEW-UHFFFAOYSA-N 435.477 2.233 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(Br)cc(CC)c32)C1=O 1585580419 XGZDWHUHNBZRSS-UHFFFAOYSA-N 434.290 2.268 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1588064186 CJXFBWSHZMZDCU-SFHVURJKSA-N 431.537 2.173 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)OC(C)(C)C 1588139549 OXBNLEKXJYOSRR-LJQANCHMSA-N 437.500 2.388 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1588752053 PMBVZFIZYOLLNW-ZEQRLZLVSA-N 445.608 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCOC[C@H]2C)CC1 1588898922 HSQPBAMYQNLNGB-VQIMIIECSA-N 425.533 2.485 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1589151190 UDJVWPOSKAFWSQ-JJRVBVJISA-N 427.521 2.316 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1589427887 YXNJZZYLQKDFCD-SFHVURJKSA-N 433.310 2.203 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1593625047 GQFFKACCPAAWFF-FQEVSTJZSA-N 436.560 2.477 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1593763449 KRURKVDQOMJUPD-SIKLNZKXSA-N 430.553 2.117 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cc[nH]n2)CC1 1594247363 KHXCWJYSSYAZHZ-UHFFFAOYSA-N 426.550 2.189 30 10 IEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1594533704 FKWRUAUXNYUSKM-UMGGQSCQSA-N 447.605 2.455 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1594857161 JJILYOKNFFVWKI-HUUCEWRRSA-N 444.602 2.060 30 10 IEEE Cn1c(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nnc1C1CCC1 1597476726 GBFJLWFNJDLEPX-BXFSZVDSSA-N 428.537 2.486 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3c(cnc3C(F)(F)F)C2)s1 1598601336 RCWHCHFETAOSGB-UHFFFAOYSA-N 434.465 2.013 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)CC1 1608166820 DYZADKAOVYPXRE-LJQANCHMSA-N 449.559 2.036 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnn(C)c1 1616472803 BYLRATWXYDJJKO-OAQYLSRUSA-N 425.468 2.480 30 10 IEEE C=CC[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccncc1 1617750034 OHYLTSDRTZBQQX-YRXWBPOGSA-N 449.573 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1618172927 GWUSLBQCGYVEGP-JYRKZWEQSA-N 436.574 2.031 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC)C1 1618526286 FJPKTHAHLPMZQJ-SFHVURJKSA-N 426.521 2.116 30 10 IEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC=C(COC)CC2)cn1 1619924451 XXYZPXFLCHVSTC-UHFFFAOYSA-N 433.516 2.491 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cc1OC 1623886690 ULJQITFAHZZTLH-UITAMQMPSA-N 426.444 2.410 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC 1624924418 YGMYSMJOARFCSU-UHFFFAOYSA-N 437.518 2.440 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)cc1 1626004412 PHRJKRUMEICBPA-SPJFCROGSA-N 434.562 2.475 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)c1ccccc1 1630915129 ZWSOEJAASNXVBF-RTBURBONSA-N 432.929 2.364 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O 1632252293 WATLWBCVXHLCDW-HNNXBMFYSA-N 437.518 2.177 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H](O)COCC1CC1 1635847773 ULIAEWCAFRRDGL-ICSRJNTNSA-N 429.517 2.296 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)C1 1638203362 NTQKJSWZSRBQMZ-FIDHJVLJSA-N 434.537 2.365 30 10 IEEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1639822194 VUQUTMVNSPPEDW-OQYZPLRDSA-N 447.557 2.285 30 10 IEEE Cn1cc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)n1 1641458341 FHKYJUBPSHUBKO-LEWJYISDSA-N 433.512 2.016 30 10 IEEE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1643241744 PAEOGEGSPLULFE-CRAIPNDOSA-N 425.514 2.051 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1643300673 PULJNMACLFLZTK-KHPPLWFESA-N 426.538 2.281 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1643499116 MVIGGNMRVBVLOP-FQEVSTJZSA-N 446.554 2.195 30 10 IEEE N#Cc1cnccc1CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1653398683 DUJHKVIISVWCEZ-UHFFFAOYSA-N 449.374 2.307 30 10 IEEE CN1CCN(C2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)CC1 1680367290 GARWXPOYAHXHAK-UHFFFAOYSA-N 426.565 2.065 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1689888895 TWCCEHHOCLGHNB-SFHVURJKSA-N 437.610 2.226 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1689930078 KHZRXQCJFUMHJK-QFBILLFUSA-N 429.546 2.106 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1689930079 KHZRXQCJFUMHJK-VQIMIIECSA-N 429.546 2.106 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(F)c(COC)c1 1690003225 HQWJWCJXGWSHKT-HSZRJFAPSA-N 426.492 2.337 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1690184418 HYUMMQBTFQTFCU-QFIPXVFZSA-N 444.557 2.228 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1690242789 CNDUAWSKDBXNJW-PXNSSMCTSA-N 427.553 2.107 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)on1 1690619791 DCKRGGZEADBOLA-UHFFFAOYSA-N 435.488 2.176 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1695046153 CDWVYXBSNVNEFQ-JTSKRJEESA-N 429.569 2.197 30 10 IEEE CCCCN(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1695195913 KXIBVANBSNTWKI-VHEBQXMUSA-N 429.550 2.397 30 10 IEEE COC[C@@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1697780803 BGAZYQAOLPKUHD-SFHVURJKSA-N 428.516 2.177 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1698004471 BEFWGZAEGOUFND-SFHVURJKSA-N 440.548 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NC)c1 1705497421 AHXCEEJJRJIPNU-QGZVFWFLSA-N 427.512 2.382 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705514343 RXEVJNPWAJIVOM-QFIPXVFZSA-N 433.560 2.338 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1705517390 UXLVMZNUQZXTTN-IBGZPJMESA-N 431.562 2.491 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccccc1)N1CCOCC1 1705557406 UDEHEWAWBHZXGK-QFIPXVFZSA-N 433.560 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCC(=O)N(C)C)CC1 1705645873 HUGAJBXFCRIOET-UHFFFAOYSA-N 436.560 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCOC)CC1 1705646107 RFPZJVFFZKHRNL-UHFFFAOYSA-N 439.516 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)C2CCCC2)CC1 1705649550 AUNPXZLZGVWJEN-UHFFFAOYSA-N 449.603 2.104 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1cccc(C)c1 1705662208 SRLSOKVLIHGSPY-GOSISDBHSA-N 448.614 2.370 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705809763 BKJMWYCQJZOEEY-UHFFFAOYSA-N 440.508 2.110 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1705819142 DVNUMKROZDGAMO-SJORKVTESA-N 432.546 2.423 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1705924837 GLCXEZCEVDNNIL-MOPGFXCFSA-N 443.523 2.441 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)s1 1709022018 FYZLYGIRGMLPIT-OAHLLOKOSA-N 425.518 2.416 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1711192328 AOZIYVFFMGAFKW-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1711397212 HHONLDJRUUOBHF-UHFFFAOYSA-N 432.532 2.374 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1712611418 BNDMCUPQNWIRNA-JPYJTQIMSA-N 441.532 2.254 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCC2)nnc1N1CCC(CCCO)CC1 1712912962 OYDNYYPVPABDRH-XUTLUUPISA-N 428.537 2.061 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722359849 WNDWLWLMIBZLMI-QGZVFWFLSA-N 434.537 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCOC1 1722390044 AFRKMKCTCZOGMA-YADARESESA-N 438.528 2.431 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1722461650 TYVNIZRVWQLPFI-UHFFFAOYSA-N 439.614 2.409 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1722469109 ULRGEYMITOGGBR-PKTZIBPZSA-N 431.581 2.033 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722482958 FCSUZSILWDFSEE-AWEZNQCLSA-N 430.372 2.068 30 10 IEEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722567900 QDSMPBYKVPJKCI-SFHVURJKSA-N 433.553 2.446 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722602674 BCSFBYCXYZNGES-GOSISDBHSA-N 437.610 2.231 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1(=O)=O 1722679008 KSNWULBJQJAOHM-SFHVURJKSA-N 449.533 2.459 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1722681926 BKQAXIFKKGHYIJ-DEOSSOPVSA-N 438.576 2.474 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1722695411 BRSARUHLFNMGSW-UHFFFAOYSA-N 436.560 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722727100 FWLVVORVHKRBQA-QGZVFWFLSA-N 440.610 2.242 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1723769608 LRBBYYFTLALCBP-ROUUACIJSA-N 435.532 2.306 30 10 IEEE Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1724346595 FRBLGLBDEUQHCT-QURGRASLSA-N 447.499 2.328 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC=CCO1 1729067550 XXTTVENGYATXKY-SFHVURJKSA-N 426.496 2.497 30 10 IEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)c2ccccc2)cn1 1729568564 DSZKVGMTFMYRNJ-UHFFFAOYSA-N 439.545 2.283 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740567079 NTMLEBWAEPXFAO-APWZRJJASA-N 449.552 2.409 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740581568 ATZJLXSNUBGDDT-WBVHZDCISA-N 439.516 2.099 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740617875 YJIVVFIWRLIQKL-LPHOPBHVSA-N 432.594 2.322 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(C)(C)O)c1 1740639513 VTKNHDUYJRUWCI-UHFFFAOYSA-N 431.496 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCC2)CC1 1740704838 ZBYVWTQDQKZMLK-UHFFFAOYSA-N 427.936 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCC=C(C)C)CC1 1740706624 YHISEHQIYAWBJK-UHFFFAOYSA-N 438.532 2.328 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1740965432 OZEGEMWKYLXHBR-QFIPXVFZSA-N 435.569 2.016 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1740971120 JKJOKRKCHOTKKI-FQEVSTJZSA-N 433.516 2.482 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1740992487 QTLNGSUMYICQMA-UHFFFAOYSA-N 447.605 2.500 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(C)CN(C)C1=O 1741369836 GDTXTOJOQFKSPB-JOCHJYFZSA-N 425.512 2.217 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)CC(=O)N1C 1743243582 CCFXQRVWXPSLNB-LLVKDONJSA-N 439.264 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN(C)S(=O)(=O)CC 1748674298 RGDUAXJTCSERNQ-HNNXBMFYSA-N 439.532 2.277 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1748829728 IGHDOCHVMSIHOX-WZONZLPQSA-N 445.564 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCn2ccnc2C1 1748964518 DVZKMPUGYXUXGX-KRWDZBQOSA-N 425.562 2.179 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOC(C)C)CC1 1748990460 XGKLYMCLUZVCHU-NRFANRHFSA-N 425.533 2.361 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749047030 MVJUHXGMZZGAEN-JOCHJYFZSA-N 425.558 2.391 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)CC1 1749277286 ABFJJBAIFZURFK-UHFFFAOYSA-N 446.968 2.082 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1749291497 GJMDYYZOPXEXDP-FQEVSTJZSA-N 426.583 2.300 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1749488080 IKYWYSMYJBENKQ-LSDHHAIUSA-N 431.628 2.011 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1749651056 MSXJCKJIYISRIE-UHFFFAOYSA-N 430.528 2.174 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CC2)N(C)C)C1 1749694438 RWFPMOZUCCPQLE-ZWKOTPCHSA-N 425.537 2.047 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)C(C)C)C1 1749699975 FXBLNAJTHTYCOD-DENIHFKCSA-N 438.536 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)CCC)CC1 1749727489 VTJLAIWZXPTOJK-UHFFFAOYSA-N 445.589 2.431 30 10 IEEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1)C(F)(F)F 1751184932 DZRJFXUDKMIXGD-CQSZACIVSA-N 445.453 2.066 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CCCO1 1760202174 VJVSYUKYUBTGIT-XMMPIXPASA-N 430.512 2.317 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1760202747 MISPDOBLOLNGOQ-JOCHJYFZSA-N 431.540 2.416 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCC1 1760242001 QPNKZVDBCBENHE-GOSISDBHSA-N 446.548 2.264 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccccc2)CC1 1760261299 KBDBAKZHOLOCRC-FPOVZHCZSA-N 441.601 2.129 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N(C)C(C)=O)CC1 1760302113 TVNSTGKTDOIHEH-CQSZACIVSA-N 444.374 2.358 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760364763 BNJSLKCGDRPFFZ-AWEZNQCLSA-N 435.916 2.351 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1760456423 OOHJTZKGRJRTTQ-SJLPKXTDSA-N 449.577 2.035 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1760477492 BTFQHYHOFALXMY-OAQYLSRUSA-N 434.562 2.152 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)C1 1760542427 HEKOBMMCGJRAKC-FQEVSTJZSA-N 425.581 2.207 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1763761933 AXAPQNDIACHZGA-IAGOWNOFSA-N 437.548 2.036 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC[C@H]1COCCO1 1767907962 KGRKCAQGYBBPHB-FQEVSTJZSA-N 440.548 2.208 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccco1 1770044204 YLUGVPNUPNDKJM-KRWDZBQOSA-N 437.504 2.237 30 10 IEEE O=C(C[C@H]1SC(=NN=Cc2ccc([N+](=O)[O-])cc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 1772727638 XRNAWZNRINQYBC-OAHLLOKOSA-N 442.413 2.453 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N(CCC#N)Cc1cccnc1 1851512602 XFNXNRPVWMFQNP-LJQANCHMSA-N 429.546 2.130 30 10 IEEE Cc1cc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)nn1-c1ccccc1 1851871937 WSBDGGWWOWQIAI-UHFFFAOYSA-N 426.484 2.323 30 10 IEEE Cc1ccc(C)c(N(C(=O)C2CN(S(C)(=O)=O)C2)c2nccc(N(C)C)c2C#N)c1 1852598337 QQLUSZFZUARBHH-UHFFFAOYSA-N 427.530 2.192 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cncc(N3CCCC3)c2)cc1 1852771173 GPMTZXJWEHXRAR-QHCPKHFHSA-N 436.512 2.490 30 10 IEEE Cc1csc2nc(CO[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)cc(=O)n12 1852820200 ABCQHARTVFGLHE-HXUWFJFHSA-N 440.525 2.233 30 10 IEEE N#CC1CCN([C@@H]2CCCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1855604257 HHIBRQXLOWORQW-HXUWFJFHSA-N 431.558 2.384 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(Cc3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1856101610 YBEBUWMUAVWOJF-UHFFFAOYSA-N 425.510 2.194 30 10 IEEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C1=O)CC2 1856518777 OMOAADPQGJBUEJ-UKRRQHHQSA-N 437.468 2.050 30 10 IEEE COc1ccc(-n2nc(C(=O)Nc3c(C#N)cnn3-c3ccccc3F)c(O)cc2=O)cc1 1866270012 MLGQDTFUQZKYJU-UHFFFAOYSA-N 446.398 2.395 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CSCCO 1870247190 ALJGEONPHKLKSE-UHFFFAOYSA-N 434.514 2.295 30 10 IEEE CC(=O)NCc1nnc(SCCCO)n1/N=C/c1cc(Br)ccc1F 1874434919 DUHXVHPISWWUOS-UFWORHAWSA-N 430.303 2.173 30 10 IEEE C=CCC1(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2023456960 PELLXSADWQGQBP-UHFFFAOYSA-N 439.553 2.145 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 2054335070 QAPGNOHIKJUUFO-UHFFFAOYSA-N 439.372 2.327 30 10 IEEE Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 2116137720 BYOZTOFVRPUELX-NHCUHLMSSA-N 436.365 2.174 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@@H](N)C#Cc1ccccc1Br 2227491756 WPPIXYPKKACVGT-HOTGVXAUSA-N 443.363 2.066 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243412094 GHROKJZXEACDEY-LBPRGKRZSA-N 446.400 2.239 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2244733016 PRZITRBBUUTCQY-GJZGRUSLSA-N 430.376 2.397 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2247837768 XPRCDRUVHFBCOV-FVQHAEBGSA-N 425.363 2.303 30 10 IEEE C[C@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC[C@H]1NC(=O)C(F)(F)F 2254801209 IRJORMBXKYPKTI-WCQYABFASA-N 431.239 2.413 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C 2255611052 RCQWYEFIIXHIMS-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255627263 QFWXUECITRDHQK-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255826178 LZOSGUIWRWKCKZ-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826945 TZUJPFHBTCTVQD-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2256023689 SOGZJKLZVNEIFI-UHFFFAOYSA-N 434.298 2.021 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]12 2256620528 JSJBMFCAHXAMSG-LKBUQDJMSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@@H]2C1 2256665062 IXWMMCUWLNFVFB-XOIINTDNSA-N 429.326 2.432 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2257492050 IFIHLGDXFGLVSV-MRXNPFEDSA-N 431.342 2.428 30 10 IEEE CC1(C)OB(c2ccc(F)cc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2266978442 RWWPLSUDIVBDSB-IBGZPJMESA-N 444.234 2.408 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267099254 JHMICHBBXFAVKL-CWRNSKLLSA-N 446.357 2.084 30 10 IEEE Cn1cc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127987 VCEQZDUFUFNIKE-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE C[C@H]1CC[C@H](C2OCCO2)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282502334 JTCBJTJWYXUGQW-DZGCQCFKSA-N 443.396 2.209 30 10 IEEE COc1ccc(Cc2nnc(SCCO)n2N=Cc2ccc(O)cc2O)cc1OC 2326789505 MUTWCNVJNCSZPK-UHFFFAOYSA-N 430.486 2.264 30 10 IEEE COc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1O 2327902087 VAQGUAXPGUDTLY-AWEZNQCLSA-N 433.534 2.073 30 10 IEEE COC(=O)CSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(O)c(O)c1 2328289003 CSZPFDBKCCNJIQ-UHFFFAOYSA-N 444.469 2.424 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc(F)c1 2330748045 VZBSLGRMSMQCLD-UHFFFAOYSA-N 433.494 2.123 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)cc(F)c1C#N 2333603668 JHULKHODMYLXIN-ZNMIVQPWSA-N 430.274 2.213 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2337199759 YXTSCHCYOALKJE-CABCVRRESA-N 448.373 2.143 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)c2C)nn1 23572864 ZDACIQDKKQHVLJ-SFHVURJKSA-N 432.440 2.203 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 481521131 SGTJBLNBTZOLMR-RDTXWAMCSA-N 427.482 2.317 30 10 IEEE N#C[C@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(Br)cc1 499422209 ORYJVWINRQRLNA-INIZCTEOSA-N 427.258 2.496 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 503854588 BGTTYUJFOVLPDQ-GOSISDBHSA-N 427.482 2.127 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508810275 CDIKWGCCWMBYJC-INIZCTEOSA-N 431.562 2.482 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508947228 WKRWOLHAPPNIKM-QGZVFWFLSA-N 435.594 2.032 30 10 IEEE CN(C)CCCCNS(=O)(=O)c1cccc(NCc2cnc3ccc(C#N)cn23)c1 512653014 SXARKHAJSFDXKI-UHFFFAOYSA-N 426.546 2.438 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 549692250 GNZXYUXXERPYEM-QGZVFWFLSA-N 444.517 2.194 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(c2ccccc2F)CC1 557723583 HBHKUHPVJIILIZ-MRXNPFEDSA-N 430.505 2.103 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(c2nc(N)n[nH]2)CC1 590552173 INQDGWKGHZWZHR-UHFFFAOYSA-N 449.309 2.205 30 10 IEEE C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccoc2)c1=O 727417627 NZAAZGQRRREKEZ-AWEZNQCLSA-N 425.535 2.299 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C 731731590 JPQWXJHYYSUCOX-ZDUSSCGKSA-N 427.548 2.280 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1OC 752624306 VGSFGKXODQMVCN-KDOFPFPSSA-N 431.514 2.439 30 10 IEEE N#Cc1c(F)cccc1OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 755251635 GHXZWXNXIDFUSH-ZROIWOOFSA-N 429.473 2.221 30 10 IEEE COc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)nc1I 763722537 DVSGPIURMNSBLV-UHFFFAOYSA-N 446.208 2.399 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cc(F)ccc2OC)C1=O 777468882 YWKBQCXLXYFVDG-IQWWUADYSA-N 430.505 2.408 30 10 IEEE C[C@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C(=O)NC1(C#N)CCC1 787743563 GACRWSHQIGXYRA-QMMMGPOBSA-N 442.316 2.021 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(Cn3ccccc3=O)cc2)n1 788905937 LDHQIVOKOLACSE-UHFFFAOYSA-N 433.512 2.085 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3NC(=O)OC(C)(C)C)CC1 794879266 VYDKFXJAYZUIJL-FUUYNRHESA-N 448.608 2.152 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 798010445 NLXUDDOBZOQWII-KSGLDPLVSA-N 436.534 2.353 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)c1 799015000 OCLBORKBUXIBBY-UHFFFAOYSA-N 447.944 2.018 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)CCC1 802768479 HLVTXRAANDEDAV-MAUKXSAKSA-N 432.477 2.229 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)c2cc(C#N)ccn2)ccc1C 803848874 YZFJKTPFJBKLMP-OAHLLOKOSA-N 444.513 2.476 30 10 IEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812064532 CCPDMVJXSWIRAF-QGZVFWFLSA-N 439.541 2.075 30 10 IEEE CN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(CC(F)F)c1 814186903 ULFCUEYLEJCVFU-UHFFFAOYSA-N 425.486 2.494 30 10 IEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCCC(=O)NCc2ccco2)n1N 1084330847 UDOGANNXYUGQBG-UHFFFAOYSA-N 445.553 2.224 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)c1OC 1084387040 WJYCJCYRNMVIGD-UHFFFAOYSA-N 427.490 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1143166261 BMBQQNFVDCHYJT-JOCHJYFZSA-N 432.496 2.108 30 10 IEEE CCOC(Cn1ncc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1N)OCC 1156040143 NZRDAEVAXNDBBA-UHFFFAOYSA-N 446.939 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)O2)C1 1165615959 UMSWSIJFPOMJJE-HTAPYJJXSA-N 440.500 2.494 30 10 IEEE N#Cc1ccc(C2(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCC2)cc1 1277437282 GQDCYOAYGRJAEQ-UHFFFAOYSA-N 425.510 2.388 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286269367 DUXMBSJQLGCVFN-DLBZAZTESA-N 430.553 2.372 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)o1 1286338064 DQHGKGROTNBBPC-GFCCVEGCSA-N 444.355 2.294 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1286386610 DUOJBTJTMNOXGD-INIZCTEOSA-N 442.570 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cnn(Cc2ccccc2)c1 1286432710 UVMILRJLDBJJJV-UHFFFAOYSA-N 441.539 2.157 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1286444384 WJNJBBDCBLGKRL-IAGOWNOFSA-N 430.553 2.336 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(C)c(OC)c2)CC1 1286495069 RDMJOYKVLSPFFR-UHFFFAOYSA-N 439.560 2.340 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCCC2)C1 1286495854 GWMVUBJFNRVUSQ-SFHVURJKSA-N 439.589 2.356 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286504890 RWOZQSGZNCWCMU-MSOLQXFVSA-N 427.578 2.250 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286622392 GMTVFJPORSDCDS-OAHLLOKOSA-N 438.937 2.491 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286706523 PDXBYSVVDQOGSN-IBGZPJMESA-N 442.568 2.157 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC1CCOCC1 1286790113 NWEKYLSAORQPBB-UHFFFAOYSA-N 437.548 2.072 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCC(C)(C)C)CC1 1286790429 RQNUZUWSOQNYJM-UHFFFAOYSA-N 445.637 2.494 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)OC(C)(C)C)C1 1286802928 BAXQEJKEEJMVRA-QGZVFWFLSA-N 431.541 2.375 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1286808765 NLEWFWIMAJOCRD-RADWXHQJSA-N 429.521 2.128 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N2CCOCC2)C1 1286812946 UYOPABMGCGOJOA-OAQYLSRUSA-N 439.560 2.094 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1286823932 RWUKEPNQUYUVDS-DOTOQJQBSA-N 443.639 2.060 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1287129894 IQIWQMZNDGFLIF-GOSISDBHSA-N 435.532 2.241 30 10 IEEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccccc1 1288601576 DZCZXJZPTPTIDJ-CBGDNZLLSA-N 446.577 2.486 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3N)CC2)cc1 1290637077 IYLYRIPJQCFORL-UHFFFAOYSA-N 438.431 2.306 30 10 IEEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OCC 1298020816 LOMQCFXGZOHIKN-RDJZCZTQSA-N 425.551 2.073 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1300299632 AWRNJSBAFKGTSQ-JTQLQIEISA-N 426.292 2.184 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1300309448 TVIDIJFMMBNWEU-VDZJLULYSA-N 433.553 2.080 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CCCCC2)c1 1300332797 OLVBGYCYXJERDV-UHFFFAOYSA-N 444.543 2.277 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300501584 MHFJDMJBLQOPRO-WOJBJXKFSA-N 428.558 2.245 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCCO[C@@H](C)C2)CC1 1300690653 PGSQUFNXXQDFDA-FQEVSTJZSA-N 426.565 2.103 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1300701608 XGDMEEBPJCLGKO-QHCPKHFHSA-N 436.604 2.305 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1301405642 UXTDMCWBCUAUJB-SFHVURJKSA-N 435.594 2.370 30 10 IEEE CC(C)CNC1(CO)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1301533945 AUOPZISFXFJRDJ-UHFFFAOYSA-N 449.393 2.356 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC[C@@H]2C)C1 1301545940 OAWVNGBYOKUWOB-WMZOPIPTSA-N 432.956 2.496 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCCCCO 1304057716 AESLPZNXRVUGNP-HNNXBMFYSA-N 433.582 2.305 30 10 IEEE CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1305307931 VPXVDPCQSNAPKE-QHCPKHFHSA-N 432.532 2.018 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccccc3OCC)CC2)c1 1307418657 KAKIPAIJECBYLJ-UHFFFAOYSA-N 434.496 2.173 30 10 IEEE CCO[C@H](CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C 1314070960 GMZDDSWYNQGQSN-KNKQGSTJSA-N 435.569 2.499 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCOCC(F)F)CC2)c1 1316533439 PWHBZLSOYXZUOH-KRWDZBQOSA-N 447.490 2.395 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCCOC)C1 1359097405 OONBCDHURVIZFK-RLLQIKCJSA-N 430.553 2.292 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359129356 ZTDXDRAFEVNARB-GOSISDBHSA-N 442.564 2.228 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1359130864 YNLDFTZNPPPOLZ-UHFFFAOYSA-N 425.537 2.495 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1359149705 GQIPQFMVKBXBQF-MRXNPFEDSA-N 434.903 2.456 30 10 IEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359207081 YKQODAGAWOEUQW-SESVDKBCSA-N 430.597 2.475 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359207304 GUCYCZKNIKNTEF-UHFFFAOYSA-N 432.550 2.295 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1359229858 XDIIAMUKQRTHGD-IBGZPJMESA-N 431.512 2.110 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)C1 1360781239 UOKPRFLCCKXWTC-KUHUBIRLSA-N 431.447 2.480 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1360798811 PSXNSFSPXHPIIA-SJORKVTESA-N 444.923 2.154 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C(=O)OC)n(C)c3ncccc23)ccc1F 1438606989 XNXOGDMOGAJCOI-UHFFFAOYSA-N 446.460 2.216 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 1443356641 JNYCJJNSIACMIE-UHFFFAOYSA-N 445.317 2.001 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)C1 1444167041 JPQZEYUFWXTCKX-LJQANCHMSA-N 439.313 2.368 30 10 IEEE C#CCN1CCCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1444337065 HXGSBFCPIMCTDS-UHFFFAOYSA-N 427.364 2.169 30 10 IEEE C#CC[C@@H](NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)C(=O)OC 1451177811 GOMKYPYDOAJPEX-MRXNPFEDSA-N 426.922 2.002 30 10 IEEE C#Cc1ccc(CNC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1460268686 WWMUEPLRVCRWRA-UHFFFAOYSA-N 448.548 2.454 30 10 IEEE N#CCc1ccccc1C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1464588614 HJIXJIJRHBVOOW-UHFFFAOYSA-N 441.509 2.061 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)s1 1466485328 SXDKSUQOUOPFHK-CQSZACIVSA-N 428.576 2.193 30 10 IEEE CCC(C)(C)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1469657725 HBAVJDQHJCTKAP-GOSISDBHSA-N 434.606 2.473 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1470474522 WHJAUANBEAHLTO-HNNXBMFYSA-N 429.514 2.339 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1475368742 HSTUGDPWIVNHKX-MRXNPFEDSA-N 427.498 2.310 30 10 IEEE C#CC[C@@H](COC)NC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1477272780 RPHUFDNYIMKFTL-FQEVSTJZSA-N 425.508 2.385 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1501550090 FVZTVRLVWGYNEZ-QGZVFWFLSA-N 436.497 2.343 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1507539113 RFBQLGHRPBQKLR-UYAOXDASSA-N 435.638 2.396 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507581226 PGSVLQDGWXFWKA-UHFFFAOYSA-N 431.500 2.295 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCN/C(O)=C1/N=CC=CC1=O 1507644646 KZZHRPPFQVGPHL-LNVKXUELSA-N 440.463 2.291 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCCC2=O)c1 1507659456 XCHBOUMESRHVGR-REWPJTCUSA-N 447.539 2.250 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(C)cc2)CC1 1507717047 YCWTVHWMHJGKRR-UHFFFAOYSA-N 445.527 2.068 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1507820938 QEIRNRZGRDOIDV-IBGZPJMESA-N 433.578 2.370 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1507836890 CHWJBSXAZPXUKR-MRXNPFEDSA-N 449.577 2.052 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1507931199 XCJYWEFKHKOBFT-INIZCTEOSA-N 435.532 2.215 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccon1 1508104161 IRWCXMXOWXLHCE-QGZVFWFLSA-N 443.529 2.418 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1510673526 MOSROENUVDRPKX-FUHWJXTLSA-N 430.578 2.341 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCOC[C@@H]3C)CC2)c1C#N 1511661199 CSEUMCVCYOEJLD-HKUYNNGSSA-N 440.596 2.389 30 10 IEEE CN(CCOc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1517343861 CGXXMILLGIMFPH-XDOYNYLZSA-N 447.499 2.315 30 10 IEEE CCn1c(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)nc2cc(C#N)ccc21 1520826187 GBZQVPDBDSPTKG-CQSZACIVSA-N 440.504 2.334 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 1525683556 IMISPTBOODXEGG-CVEARBPZSA-N 439.468 2.272 30 10 IEEE CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1529574423 SYFFSEYVWYSUQI-WZONZLPQSA-N 440.500 2.344 30 10 IEEE N#C[C@@]12CN(C(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1536179829 MNGSXVLBKDKTCT-NHYWBVRUSA-N 449.432 2.102 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539210668 FNQXYLSPMQFULP-SFHVURJKSA-N 445.564 2.195 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC=CO2)n1 1539424926 YNJGUEFAVRBTTA-PZJWPPBQSA-N 440.548 2.348 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)COC)CC1 1539476495 YUTXSCDYZQCPCZ-KRWDZBQOSA-N 425.533 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCN2CC)CC1 1539480480 AALFEJLUVGNCPQ-RTWAWAEBSA-N 442.608 2.012 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1539729886 MFNZZDXILFUHFM-DLBZAZTESA-N 425.599 2.498 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1539832212 RHIMBXVRZDZAAI-HSZRJFAPSA-N 425.533 2.428 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCCO)CC1 1539849010 SQVCZEFQMTZQMC-UHFFFAOYSA-N 427.553 2.008 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1539918157 KBZJUPBEBREUFV-IBGZPJMESA-N 430.597 2.380 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1539947581 PBEGWDMGRMSYHN-UHFFFAOYSA-N 429.569 2.255 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1540863322 UDSOZDKGBOLKBX-GAJHUEQPSA-N 440.548 2.039 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1540878246 SAWZSZWQVQTAPK-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE N#Cc1cn(CCC(=O)Nc2cccc(COCCOc3ccccc3)c2)c(=O)nc1O 1542071931 DHTXSPCWYJIORN-UHFFFAOYSA-N 434.452 2.445 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)N3CCc4ccccc43)C2)C1 1542658902 MLXCDQRLJAPQTE-RKDDFOCISA-N 438.528 2.479 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC(C)(C)O1 1545059153 IOMWUVWOKOLXIU-MWTRTKDXSA-N 438.532 2.211 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1547552669 KDXDOEDKQKQUCH-JVMRMLDLSA-N 430.553 2.398 30 10 IEEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 1556642929 AWPXHDIHHSOELP-YWZLYKJASA-N 439.871 2.260 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)C1=O 1557291468 LOBAYWFQLMGESR-UHFFFAOYSA-N 438.278 2.368 30 10 IEEE C=CCOc1c(Br)cc(CN[C@H]2CS(=O)(=O)C[C@H]2OC)cc1OCC 1560527894 AOKSUMFWAWFCRY-GOEBONIOSA-N 434.352 2.314 30 10 IEEE N#C[C@]12CN(C(=O)NCCc3c(C(F)(F)F)[nH]c4ccccc34)C[C@H]1CS(=O)(=O)C2 1565199721 OIAXTEVTKUGKAR-KPZWWZAWSA-N 440.447 2.309 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 1585961795 CDWMBVCPIRDVLQ-QGZVFWFLSA-N 426.439 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1587638904 HWVHRWCGHUIGPN-WBVHZDCISA-N 425.514 2.341 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1588045001 FFCTZJFYLCBDLJ-GOSISDBHSA-N 443.573 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCOC[C@H]1OC 1588093165 DGEUCIXXFRVNOQ-SIKLNZKXSA-N 430.512 2.460 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588155090 NUHZAKQDHZCJLO-KRWDZBQOSA-N 437.491 2.266 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1588267017 ZTXOEDOQHCJURJ-PKOBYXMFSA-N 436.626 2.145 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nnc(CC)s2)CC1 1588768205 BQYCNVHTQJESGF-UHFFFAOYSA-N 438.517 2.071 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1588811430 IYBMKZASWOPPTN-YPAWHYETSA-N 428.625 2.295 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1589303992 CAKOKOAEKDSYBF-LSDHHAIUSA-N 444.374 2.406 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1589577538 CDZNYYZDGFYHJZ-XQQXVUDOSA-N 447.580 2.015 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1595076173 WEFKUPYUVDRLLI-WMZHIEFXSA-N 441.532 2.236 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1595143000 WMLAEYROXHNVCM-UHFFFAOYSA-N 431.562 2.310 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)SC)C1 1595699625 FZJVITZNDYXIPL-MAUKXSAKSA-N 426.550 2.454 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595778040 UWHLCTBNDHCLOA-XLIONFOSSA-N 440.573 2.090 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1595784880 MDGNXEXGCJSLTJ-KRWDZBQOSA-N 433.553 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(c2ccc(O)cc2)CC1 1595797852 JUVHQSPEIVIZJX-LJQANCHMSA-N 446.573 2.472 30 10 IEEE Cc1ccc(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)cc1B1OC(C)(C)C(C)(C)O1 1596906917 MVOHMZWNZCNZJM-UHFFFAOYSA-N 449.316 2.097 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)COCc2nccn2C)cc1 1596926218 ZELUOUQSJNVXLU-NKFKGCMQSA-N 433.534 2.168 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccco1 1597083379 MFGPOZDPYTUHSJ-UHFFFAOYSA-N 435.488 2.134 30 10 IEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1608152747 XEEHZYZXASXBQS-OAQYLSRUSA-N 440.548 2.065 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1C[C@@H]1C 1611716714 CALDPWUUQSHBOW-OBQKDBCYSA-N 428.562 2.288 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1613030679 GPZPLISVUQMIBJ-BVUYIUPRSA-N 429.496 2.453 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1613529462 HFEIYGGEMLOBPZ-HJPURHCSSA-N 440.548 2.244 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 1615836873 ABHNORDAHMMPIM-AABGKKOBSA-N 437.592 2.456 30 10 IEEE CCN1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1615869522 GNQJXTVLODVBMQ-BFQBXFRASA-N 441.580 2.068 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1618120711 VIFYJWMYGMUXKG-XXBNENTESA-N 441.532 2.397 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC2CC2)CC1 1618815213 FSSFSKMQUDBSAU-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(OC)C2CC2)cc1 1619321978 CDMQASNCYUADGF-UGKGYDQZSA-N 427.505 2.410 30 10 IEEE COC[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](F)(C#N)C1)OC 1619595173 DFXBPSBXEVOOAU-IERDGZPVSA-N 425.468 2.439 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1619989961 LPPOBLMNOYDECJ-JTSKRJEESA-N 444.511 2.103 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c1N 1623696575 DBIDPWCLZBLDKN-VQIMIIECSA-N 431.374 2.076 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)NCc3ccc(C(=O)NO)cc3)cc21 1626243029 ZFWWEFKZIIPWRB-OAHLLOKOSA-N 429.477 2.292 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 1628767401 NSAJLSCSHYZOMV-XXBNENTESA-N 430.549 2.327 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(N4CCOC4=O)CC3)C2)C1 1630334991 BEWYOJCBLYUODM-BXFSZVDSSA-N 432.521 2.216 30 10 IEEE CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919368 ZBOHEWYDHOTWRY-RTWAWAEBSA-N 447.495 2.326 30 10 IEEE C=CCN(CCOC)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1637097562 VENUGARSHZOPLN-UHFFFAOYSA-N 440.585 2.469 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1638849334 ZQBJPYQZPPRLRI-MRXNPFEDSA-N 448.928 2.172 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 1640487638 HQMOWTBMFLGYOV-LJQANCHMSA-N 432.565 2.433 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(c3ccc(C(=O)OCC)cn3)CC2)c1 1642226817 LIAMEDJTWUDFST-UHFFFAOYSA-N 449.511 2.100 30 10 IEEE C#CC[C@@]1(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1644234234 MNNHHAVTHMFCRQ-QFIPXVFZSA-N 447.557 2.012 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)Nc1cccc(C#N)c1)C[C@H]2C(=O)OC(C)(C)C 1644462158 URAQQMAKGUHYJC-HRZDDSQGSA-N 427.501 2.340 30 10 IEEE Cc1cc(OCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)ccc1[N+](=O)[O-] 1654531413 VYFGZNIVPPKUTJ-UHFFFAOYSA-N 435.234 2.465 30 10 IEEE CC(C)(C)OC(=O)NC1CCC2(CC1)CN(CC(=O)N(CCC#N)CCC#N)CCO2 1655701248 DAIHBBCDCIICHW-UHFFFAOYSA-N 433.553 2.181 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)C1 1664135017 GICMTBKIKZFUPQ-NSHDSACASA-N 449.754 2.265 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3ccnc(Oc4ccccc4F)c3)C[C@H]1CS(=O)(=O)C2 1680801521 SMEOBCOKLJXSLC-YWZLYKJASA-N 430.461 2.093 30 10 IEEE CN(C)c1noc(CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1682469401 NQXWGLXQTGRNIK-RNFRBKRXSA-N 437.291 2.448 30 10 IEEE C#C[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1)C(C)C 1686675220 GZDMRVKEVIXENN-GJZGRUSLSA-N 425.270 2.132 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(Cl)c1 1689966357 PSVIYKLGYQGSOP-CYBMUJFWSA-N 426.901 2.121 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1690018142 VJVCJAZNPUHAKG-XZOQPEGZSA-N 433.556 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N1CCOCC1 1690035622 FAJPJSCDTVTAFP-IBGZPJMESA-N 437.544 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccccc2)N(C)C)CC1 1690152549 PEGXCEHHAGNJMZ-NRFANRHFSA-N 438.576 2.083 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1)C1CC1 1690544801 BFTNEQPSQLYAJV-KRWDZBQOSA-N 437.591 2.184 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1690625896 CXNYXMNWGVHPFB-DLBZAZTESA-N 430.553 2.440 30 10 IEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1690750409 ISYZQVWPPJZDNL-UHFFFAOYSA-N 434.541 2.377 30 10 IEEE CCc1noc(C)c1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1694779353 UHPCWDAPNVGLOX-WMZOPIPTSA-N 443.552 2.086 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](OC)[C@@H](C)CC 1696328609 DOEBTYOTPCMHPW-PKOBYXMFSA-N 427.553 2.469 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C#N)c1 1697021928 AGYZPPRCMWRQLR-UHFFFAOYSA-N 445.936 2.051 30 10 IEEE COCCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1698007886 ASTTTWJMGXPALC-JOCHJYFZSA-N 448.527 2.456 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCC(OC)CC1 1705555861 CFMMBZSGVGXODX-UHFFFAOYSA-N 444.605 2.228 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN(C(C)=O)C1 1705575390 JDPKHCHDCLGPAF-MRXNPFEDSA-N 443.349 2.367 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1705590038 ZIGITFHXMBBXTE-QGZVFWFLSA-N 448.506 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCCCCC3)nc2)CC1 1705645633 YVFVRDRHYXPHDD-UHFFFAOYSA-N 435.576 2.376 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN2CC=CCC2)CC1 1705650163 NGFAIQOQOJKJGA-UHFFFAOYSA-N 446.599 2.405 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705703068 LBOYSMWUTDFOED-BJLQDIEVSA-N 427.553 2.012 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705735099 JHHULEFHTVWEPG-IEBWSBKVSA-N 445.568 2.339 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705737524 TZZODCBKNXYMCV-UTKZUKDTSA-N 441.532 2.440 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1705755990 MHHILYSGSSYDHW-UHFFFAOYSA-N 425.867 2.195 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705822096 STJZGBGUWZUZRW-IBGZPJMESA-N 447.609 2.110 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705822950 WMKDGFHRSIPKGX-UHFFFAOYSA-N 449.515 2.216 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1cccc(Cl)c1 1706900903 RCIGXHXPUDFOIE-KLHJMIIUSA-N 431.924 2.462 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1708521632 PLUGSKKEHDXLSU-CVEARBPZSA-N 425.537 2.094 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCCOCC(F)F)cc1 1712879975 SQDCVGRUEPJCQK-QGZVFWFLSA-N 430.459 2.300 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CC=CCO2)cc1 1712880368 GVBBKXJCQMAGSW-UYAOXDASSA-N 436.516 2.166 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 1722332286 HRPRFSWWGYPXEI-WOJBJXKFSA-N 443.573 2.366 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722339507 WGSZPYGMOMFMNS-UHFFFAOYSA-N 440.592 2.433 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722362070 MIHLGBOVJGGNSG-MRXNPFEDSA-N 432.521 2.016 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722459359 INBVROOOQGJMDM-KRWDZBQOSA-N 448.618 2.096 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722608622 IQBAXWKXVYYKNO-LPHOPBHVSA-N 444.561 2.304 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1722678319 YBDLKZHKPCHULX-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CC#N 1722726646 DNASJWFEYDYLOQ-QGZVFWFLSA-N 439.545 2.470 30 10 IEEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1723720034 XMJIUKXHOQQVQK-UXHICEINSA-N 438.532 2.494 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1724650779 DCDFTVIJERZQIK-NRFANRHFSA-N 430.578 2.247 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C)C2)CC1 1728635568 YDYRXPWOLQYRDW-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc2c(c1)OCCO2 1730844664 SSVPXVHKYCOTRQ-AOMKIAJQSA-N 445.495 2.458 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCOCC(F)F)CC2)nc1 1731181500 CAVBJXLLGPJQDS-KRWDZBQOSA-N 447.490 2.047 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1740545118 NZJIMKZRPBVOIP-GOSISDBHSA-N 433.560 2.059 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740621326 LSMYEYVMQTVQHX-INIZCTEOSA-N 434.537 2.262 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740621682 YUHHAHRZBXVRCX-IXDOHACOSA-N 444.557 2.245 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740638097 DJYDYCIUKXXCPH-WOJBJXKFSA-N 429.590 2.213 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1740654957 UQQAJVVUNVZZAM-FQEVSTJZSA-N 442.514 2.083 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCSCC1 1740687134 RYMMXIXQOFZOJU-UHFFFAOYSA-N 438.601 2.485 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCO2)n1 1740689581 YHNUNLBRMVGWMO-FPOVZHCZSA-N 442.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([S@](C)=O)CC2)CC1 1740692413 VOLILZZAWTUPCL-LJAQVGFWSA-N 435.956 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCCC[C@@H]2C)CC1 1740708112 CCORRUNPVKIQJA-IBGZPJMESA-N 426.609 2.461 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1740968423 IPVCOVOLFOJTKD-MRXNPFEDSA-N 444.561 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748643042 SZTRNIDAMUETED-IPMKNSEASA-N 442.564 2.128 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1748698720 WRFRUQPBACROQA-QGZVFWFLSA-N 441.536 2.402 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748818668 DDIADIBDHHHDET-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1748843077 ZSVPALUMZUHSCU-IBGZPJMESA-N 443.555 2.090 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1749023675 UITKAYPAUFDFFH-QAPCUYQASA-N 449.602 2.302 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749373554 NVLGRNCCVOVKJR-LJQANCHMSA-N 441.580 2.413 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCN(C)C2)C1 1749717075 GMVYDQHNPUFHAJ-RDPSFJRHSA-N 441.576 2.322 30 10 IEEE COCCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)cn1 1749852083 OALNDMSXINRCGA-FQEVSTJZSA-N 440.439 2.186 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1CCCO 1750061845 ADWAKAPQGOKPGE-VQIMIIECSA-N 427.509 2.296 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1750485037 HWLXMRYAQPVFLX-DLBZAZTESA-N 438.488 2.236 30 10 IEEE Cc1nc(C[C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)C2)no1 1751783802 DIJRNETUJFIKHR-QGZVFWFLSA-N 434.504 2.056 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1760096000 DHAMYSMFXIGKBE-ZWKOTPCHSA-N 443.573 2.430 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1760098169 PMCUIPXMCFEIBH-CVEARBPZSA-N 433.578 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1CCCO 1760105784 VBIFPNKJLHOVGA-HKUYNNGSSA-N 427.549 2.267 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760112548 IXULHQBUDOATOB-IAGOWNOFSA-N 432.546 2.113 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1760190707 UNNWGPYCMVZEKJ-RTBURBONSA-N 445.614 2.176 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1760259882 QZTFWPNBLXIMSZ-QGZVFWFLSA-N 431.487 2.285 30 10 IEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCC)CC1 1760260468 TXNBNFLBWDIFJD-UHFFFAOYSA-N 429.594 2.184 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760378265 DORDGMBSPXVPKV-AEFFLSMTSA-N 426.908 2.444 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1760383586 USZLKKOIIKYEDD-LJQANCHMSA-N 442.564 2.438 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC3(CCOCC3)C2)CC1 1760396352 BCTKVXSUALVLIH-INIZCTEOSA-N 437.610 2.498 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@H](C)[C@@H]1C 1760528145 TUXYZJMVHDOECG-JKSUJKDBSA-N 431.562 2.498 30 10 IEEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760559639 JJADRCZZUHZRCS-YJBOKZPZSA-N 449.552 2.428 30 10 IEEE Cc1ccccc1-c1nnc(N(C)Cc2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1762047628 OMNKXCDXPAFLJG-XDOYNYLZSA-N 444.499 2.206 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)n1 1762415187 BDBJXDUCUWTNJP-UHFFFAOYSA-N 434.548 2.420 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)s1 1762486505 WPDKEVAADZUGJH-UHFFFAOYSA-N 427.559 2.178 30 10 IEEE C[C@H]1CCc2sc(-c3nnc(N4CCO[C@@H](C#N)C4)n3CCOCCCO)cc2C1 1762812960 MFTQNCRGGAYVKC-RDJZCZTQSA-N 431.562 2.259 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(F)(F)CO1 1767062452 UBZFHDKTFWJAFY-KRWDZBQOSA-N 430.459 2.446 30 10 IEEE COC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1769229818 AFOSNOOBAHERPU-DYESRHJHSA-N 430.484 2.251 30 10 IEEE COc1ccc2c(c1)CN(c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)CC2 1770300292 REHTUPFCUIWHBS-LSDHQDQOSA-N 436.516 2.499 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1770326798 NIKUSXHNQDXBBG-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)c1 1770735312 IBXMKZSJJJWMLD-HXUWFJFHSA-N 433.516 2.338 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1771543679 DDNQOMZPABEOKD-GOSISDBHSA-N 427.553 2.152 30 10 IEEE COc1cc(OC)cc(C(=O)N[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C(C)C)c1 1772790776 UKEYSJCYSDUUQG-SFHVURJKSA-N 426.425 2.213 30 10 IEEE C=CCN(C(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1)[C@@H]1CCN(C)C1=O 1850409502 BIXKWTXYGFCVNX-QGZVFWFLSA-N 449.515 2.474 30 10 IEEE N#CCc1ccc(NC(=O)CN2CCN(C(=O)c3cncc(Br)c3)CC2)cc1 1851595040 HZSZZHCXPCJNOT-UHFFFAOYSA-N 442.317 2.307 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)nc1C 1851715294 NDAFKVSAXDCDCF-GOSISDBHSA-N 444.488 2.420 30 10 IEEE Cc1ccc(-n2c(C)nn([C@@H](C)C(=O)N3CCC(N4CCC(C#N)CC4)CC3)c2=O)cc1 1852799303 CELQNHAPFULSAF-SFHVURJKSA-N 436.560 2.438 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)c3n[nH]c4c3CCc3ccccc3-4)CC2)nc1 1852995532 JFZCPGRLKLXUBE-UHFFFAOYSA-N 428.496 2.421 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)COc2ccc(Cl)cc2)C1=O 1854059792 RNWYZSQLCBIUGK-OALUTQOASA-N 433.936 2.345 30 10 IEEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4)n3)C(=O)C2)C1 1856831463 AJXRWTYDUILKBI-IBGZPJMESA-N 427.936 2.461 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 1861587289 XXXRNMDRHGRAEK-XJABCFGWSA-N 435.524 2.331 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 1862738577 DUGRGGSDZXWHLB-QGZVFWFLSA-N 426.381 2.254 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(OC)c(OC)c1 1869934137 ZSHFNQCTFJLJLV-KRWDZBQOSA-N 445.541 2.270 30 10 IEEE COc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1 1870149478 UMSCPXJSZOOIRY-UHFFFAOYSA-N 439.428 2.191 30 10 IEEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CC)CCO 1870349595 UDJLDHKVYLRFMZ-UHFFFAOYSA-N 426.561 2.455 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1Cc1ccncc1 1870476211 HQEBAJABFWGYHC-UHFFFAOYSA-N 427.501 2.034 30 10 IEEE O=C(NCC#CCN1CCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1889639959 QSMWMVRMGNSMDA-OAHLLOKOSA-N 429.995 2.160 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060624472 YKKGOBXYADYRRK-KXMBVRIMSA-N 436.358 2.467 30 10 IEEE Cn1c(Br)nnc1CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2124453529 IZUDUBJMDHGBPQ-LLVKDONJSA-N 429.319 2.171 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)C1 2244278593 RVWDMSYEUBWRPE-HXUWFJFHSA-N 427.542 2.239 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C(=O)O)[C@H](C)OCc2ccccc2)C1 2247542155 KBZIDKYUHCEEFE-TZJZSNPFSA-N 430.501 2.468 30 10 IEEE CC1(C)OB(c2ccnc(N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c2F)OC1(C)C 2254789603 DBEIQWKHGHXZRH-RYUDHWBXSA-N 429.223 2.262 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254801924 LMDZRCSWYMXAOQ-KRWDZBQOSA-N 433.358 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]2C1 2255637493 HINKBIWERUAFTN-ZIAGYGMSSA-N 449.382 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255698713 RZRAMGQLCNBFDW-OYHNWAKOSA-N 429.326 2.120 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)o2)OC1(C)C 2255705652 YHPWCBODSSPVST-GOSISDBHSA-N 426.322 2.210 30 10 IEEE CCn1cc(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815347 MNEJQWMLTWSZTA-UHFFFAOYSA-N 432.330 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255871467 VFRLPVCALBBWTG-SHTZXODSSA-N 431.342 2.414 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)co2)OC1(C)C 2267007162 UIHJZJUZAUJYHU-DEOSSOPVSA-N 440.349 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267192962 YDCPKTVXFZAYSC-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE Cc1sc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(C#N)c1C 2270525360 FWKMTIDPDGGMJF-HNNXBMFYSA-N 437.499 2.358 30 10 IEEE Cc1sc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(C#N)c1C 2270539442 FWKMTIDPDGGMJF-HNNXBMFYSA-N 437.499 2.358 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2282017658 MYJSCAUDTIFVIM-VQTJNVASSA-N 448.376 2.370 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2282676897 QLHMQPRMCIQWRX-LEWJYISDSA-N 449.360 2.106 30 10 IEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CC(=O)O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296185167 AFTCQWMDAGOMEO-SFHVURJKSA-N 426.381 2.500 30 10 IEEE COc1cc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCO)cc(Br)c1O 2296550400 ONTJHRYHQTWMMD-CQSZACIVSA-N 438.230 2.170 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2300342670 XGMHJANSMYBHTF-STQMWFEESA-N 435.355 2.037 30 10 IEEE C=CCN1C(=O)C(=C2C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1nnc(C)s1 2314547751 LPQPOHIPQHGXDO-UHFFFAOYSA-N 441.494 2.438 30 10 IEEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2315525284 FVRBCDVKXMEECS-CQSZACIVSA-N 436.362 2.061 30 10 IEEE COc1[nH]c(=NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339786798 RLEFCEFKMMYXHA-YQQAZPJKSA-N 445.369 2.479 30 10 IEEE N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OCN1C(=O)c2ccccc2C1=O 10498171 KMXPLRGLDSBDPK-UHFFFAOYSA-N 437.355 2.154 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 27559937 PSHYXIBKUBKAEL-AWEZNQCLSA-N 449.527 2.335 30 10 IEEE CC[C@@](C)(NS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 40377374 OTVVNTQZBYINQT-LLVKDONJSA-N 429.134 2.405 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)c1OC 102741989 PQQLECRLQSVGDN-LAFOYAEKSA-N 442.516 2.417 30 10 IEEE C#CCn1ncc(NCC[C@@H]2CN(Cc3ccccc3)CCO2)c(Br)c1=O 312321336 BWOIIZHIZQCGEG-QGZVFWFLSA-N 431.334 2.342 30 10 IEEE C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1NS(=O)(=O)c1cccs1 409854266 JAVCODGTEUEAMB-CHWSQXEVSA-N 430.515 2.450 30 10 IEEE C[C@H](C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 467066763 XWDUHHCBWHCGTI-MRXNPFEDSA-N 449.481 2.448 30 10 IEEE COc1cccc(N2CC[C@H](CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)c1 486502332 YNYRMIWOBWXNJC-OFNKIYASSA-N 447.539 2.493 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 508909204 YCWCFSUUNNYTSG-KRWDZBQOSA-N 435.887 2.307 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1Cl 511119241 DLPZRKYJEJFESK-QGZVFWFLSA-N 426.970 2.251 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 523305975 AHIRNHOXLLZEQY-UHFFFAOYSA-N 442.537 2.218 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2ccccc2)c1=O 523744396 HMMUSRNXMJKZOO-PXNSSMCTSA-N 439.581 2.144 30 10 IEEE CCOc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 530670130 YFPDLGKFVWMCDR-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE COc1cc(-c2nnc(CN3CCN(c4cccc(C#N)n4)CC3)o2)cc(OC)c1OC 546212652 BXBNVXYUVKUCSJ-UHFFFAOYSA-N 436.472 2.351 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 555261364 RLTXJISKUBVSFC-GOSISDBHSA-N 437.541 2.271 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 555261365 RLTXJISKUBVSFC-SFHVURJKSA-N 437.541 2.271 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCc3ccc4ccccc4n3)CC2)cc1 557238306 FFGCJAVZSWWMJG-UHFFFAOYSA-N 441.535 2.500 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cn2)CC1 561056401 HTPLQFYSIPUJMJ-FQEVSTJZSA-N 436.535 2.377 30 10 IEEE COC(=O)C1=C(C(=O)c2c(F)cccc2F)[C@H](c2cnn3ccccc23)NC(=S)N1 729663592 VDVKIUTYNATUSN-INIZCTEOSA-N 428.420 2.441 30 10 IEEE N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 731257499 YANRUXQVEKOSHZ-VQTJNVASSA-N 427.501 2.427 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795704 UPTNUGMHUXYHIH-GOSISDBHSA-N 442.585 2.375 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(NC(C)=O)c1 733200601 GPOBRTFTSZIENI-KRWDZBQOSA-N 436.497 2.419 30 10 IEEE COCCOc1cn(-c2ccccc2)nc1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734293033 DPZAIQGFEZJTSN-UHFFFAOYSA-N 440.481 2.196 30 10 IEEE COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C#N 746962096 HBOXCOCPVRJOMJ-UHFFFAOYSA-N 430.482 2.253 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749428551 CUNDFRFJFQBSTJ-SQFISAMPSA-N 443.641 2.267 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCc2cc(OC)ccc2OC)cc1C#N 752399157 GTCCEZYOLKLHAT-UHFFFAOYSA-N 440.456 2.441 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1 753993435 FVLLHUBBCKSOTR-QFIPXVFZSA-N 445.523 2.404 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 758756293 XRXUIAVCKSBGIW-MSOLQXFVSA-N 433.553 2.180 30 10 IEEE COc1ccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)nc1 766417907 CIPIZCXCSXWTNH-IBGZPJMESA-N 441.557 2.290 30 10 IEEE C#CCN(C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774162927 BPBFZQLUFIGGDB-CRAIPNDOSA-N 441.956 2.448 30 10 IEEE C#CCN(C(=O)NCCCc1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1 774218007 CRWQIBPAGOKEIU-HNNXBMFYSA-N 431.327 2.353 30 10 IEEE C[C@H](OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)NC1(C#N)CCCCC1 780255558 QNHWQXMASSBBRZ-SBUREZEXSA-N 443.500 2.346 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2=O)cc1 780257686 USPMGJMKAPQLAL-IBGZPJMESA-N 432.480 2.376 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)Nc2nc(CN3CCN(c4nccs4)CC3)cs2)cc1 780985205 BYPNUJLVYDKUGF-KRWDZBQOSA-N 440.554 2.466 30 10 IEEE CC1(C)CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 789066489 MTBJGNGSTSUXFL-GOSISDBHSA-N 447.557 2.151 30 10 IEEE C=CC[C@]1(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790632765 CLDRDAKOJUXAIN-XMMPIXPASA-N 448.608 2.489 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 794609764 FPOIXOLXCIMRAM-LJQANCHMSA-N 446.528 2.479 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)Nc2sccc2C#N)[C@@H]1c1cncn1C 796084562 AYDXDZICCJPDIN-RDTXWAMCSA-N 429.502 2.225 30 10 IEEE N#C[C@H](C(=O)C[C@@H]1CCCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 796628727 DEFALGDARMUWRQ-QFBILLFUSA-N 433.530 2.325 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(Br)cccn23)c1 808206141 CKRHARCGZPQFSV-UHFFFAOYSA-N 433.287 2.261 30 10 IEEE N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)Cc1cscc1Br 816127929 OBHBEARQQLWFKL-UHFFFAOYSA-N 430.261 2.338 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 858073237 HBOMSCCOTKBIOQ-IBGZPJMESA-N 440.525 2.179 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 917065640 DDFGNADHWJWKQB-UHFFFAOYSA-N 448.571 2.109 30 10 IEEE CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](CO)[C@@H]1O 1083524764 GQESMUJMZIWSMJ-ICGSVKGVSA-N 431.570 2.174 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N 1084438794 BAVJVXZWJUQHDA-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 1137354178 WAZSQEZXUBVQSD-DYVFJYSZSA-N 427.448 2.408 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811438 MMIGLSHGIFPXJG-INIZCTEOSA-N 438.488 2.170 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2COCCN2CC(F)(F)F)nc1C 1144387931 YURMWHGPMIHMQO-SNVBAGLBSA-N 448.496 2.386 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)CC1 1171491480 UWIPQSHNZMDSQZ-HQRMLTQVSA-N 442.457 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(CC(C)C)C1 1286397120 LKOCEMZRTXYPLG-HXUWFJFHSA-N 433.560 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(F)cc1 1286430923 LEVSLTAXOUWLBH-ZWKOTPCHSA-N 444.532 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1286495471 WVTMHQFUGOHIOG-QWFCFKBJSA-N 429.565 2.301 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286564238 MMJPGASFIUGYGS-RXVVDRJESA-N 445.589 2.259 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286686433 GFCPOUMJDLFOLL-KBPBESRZSA-N 428.459 2.090 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286703185 DNOZQNVEDOBIRS-UHFFFAOYSA-N 448.579 2.346 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286769878 YWGSALZVYIHOCK-LJQANCHMSA-N 449.577 2.017 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1286791654 YDMPEKWMSIBISN-LJQANCHMSA-N 438.576 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)CC(F)(F)F)C1 1286804533 MGQSHLZJEINFOU-MRXNPFEDSA-N 427.475 2.344 30 10 IEEE CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287149358 CAYQQEIEQRZRCG-XMMPIXPASA-N 446.559 2.264 30 10 IEEE CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1287988658 GYGFBEKUOLDTMM-UHFFFAOYSA-N 426.454 2.022 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1291050995 YUYBLJMZIFTWNK-MCQGMECGSA-N 435.532 2.415 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)C2=O)cc1 1297510827 LWKGJSADLKHBLF-SFHVURJKSA-N 433.346 2.093 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCOCC(F)(F)C(F)F 1300304488 OUTCVAOWODMLDR-NSHDSACASA-N 431.390 2.381 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300314731 IQCAOSPWTMZDHO-WMZHIEFXSA-N 430.556 2.337 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)OC)c1 1300330484 AXYLUQCIHQJXDE-HXOBKFHXSA-N 441.532 2.021 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1300357072 IOTNBOFQFOFVKT-FQEVSTJZSA-N 434.544 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1300579320 SYIPLDUWDMHQRG-NFBKMPQASA-N 449.555 2.100 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCOCC1 1300676582 QEOGPMHLVLKPMQ-WOJBJXKFSA-N 447.624 2.394 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(O)(CC)CC)CC1 1300710134 SXZLKRMOQMWVSM-UHFFFAOYSA-N 427.549 2.172 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1301222194 TVEUVDUZSQSUJW-SFHVURJKSA-N 425.537 2.418 30 10 IEEE COC[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301278321 PPCJKDLKISOURO-ZREAOVPFSA-N 442.564 2.400 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)NCCC)CC1 1301507077 VYNSTKCCZRLVBF-UHFFFAOYSA-N 438.576 2.222 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(Cl)ccn1 1301509884 PBTUSQVEZBFFDV-UHFFFAOYSA-N 428.928 2.127 30 10 IEEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)cn1 1303543489 KMJHCIYYBVKPAX-KRWDZBQOSA-N 425.432 2.179 30 10 IEEE CCn1c(=O)c(C(=O)CN(C)[C@H](C)c2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 1307858583 ANJBEIAFQODLQJ-QGZVFWFLSA-N 445.523 2.408 30 10 IEEE CN1CC[C@@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N(CCC#N)CC2CC2)C1 1314929606 YIMLCQAOQVIXHM-QFIPXVFZSA-N 430.503 2.344 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1315607900 DTHHZQRPMQOLLH-ROUUACIJSA-N 427.505 2.126 30 10 IEEE Cc1ccnc(C2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n1 1334418474 DXOMCFINVHCPQW-LJQANCHMSA-N 432.484 2.268 30 10 IEEE COc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(OCCOC(C)C)c1 1352234658 LSAYGHKROCWRJD-UHFFFAOYSA-N 429.477 2.183 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1358940039 MJTKCQXPIIAJIR-JOCHJYFZSA-N 425.489 2.005 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1358967399 JQTMIVVHTCZZPC-MJRGOJFPSA-N 444.557 2.459 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C)c(C)s2)CC1 1359044965 SQOYPFVKHSCHCA-SFHVURJKSA-N 442.589 2.260 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1359126030 CGCAYWMDKCGLRM-UHFFFAOYSA-N 444.536 2.353 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C)CC1 1359221718 LJGLHELDJVOOTD-OALUTQOASA-N 427.553 2.393 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1359232790 FIDURRXOOGOJMA-UHFFFAOYSA-N 445.593 2.215 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1 1360316559 UBCYMYZBTYEUIQ-UHFFFAOYSA-N 436.607 2.388 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)C(F)F)c2)[C@@H](C#N)C1 1435453740 CCYXLYHEWPHOFE-ZDUSSCGKSA-N 429.445 2.268 30 10 IEEE C[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1446028304 ZHRSVSRPQNFHOF-MGPUTAFESA-N 446.548 2.322 30 10 IEEE Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1OCCN(C)C 1451143058 AOCMZOMVIMOJAO-UHFFFAOYSA-N 430.530 2.380 30 10 IEEE COc1cc(C(N)=O)ccc1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1451355862 PPBFFBMYSYGHMI-UHFFFAOYSA-N 444.513 2.032 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1467944596 SHFHJIOADUHSQT-QGZVFWFLSA-N 434.562 2.342 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)c2cccc(C#CCO)c2)cc1Br 1468138645 KJZWTRPNFSMCAP-QGZVFWFLSA-N 432.314 2.383 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(I)c(Br)c1)C(=O)OC 1468876060 UHRLKNRJLFRLFS-LLVKDONJSA-N 436.043 2.348 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)nc1 1471983896 KPNVAXLOVPDZCZ-VQTJNVASSA-N 432.528 2.372 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)C1CCOCC1 1475853504 UKGKUGQSHMQXMX-GOSISDBHSA-N 435.546 2.420 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCC(=O)N1 1495736989 XDXIOGQZIGLCFG-DOTOQJQBSA-N 425.512 2.408 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1502180097 BWTQGKVEHQYQSP-UHFFFAOYSA-N 441.561 2.228 30 10 IEEE COc1ccc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1F 1504252139 UDLWWOCLKBCUCP-XUTLUUPISA-N 440.479 2.466 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)C1 1505123404 HELKXCJSXMQQTA-HNNXBMFYSA-N 425.461 2.069 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1507618954 VWOMWNWMXBENNR-UHFFFAOYSA-N 443.511 2.078 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507623964 ZUVUXAYESHTWQP-GTCCEBARSA-N 448.564 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1nccc(C(F)F)n1 1507658146 DIOKNAGBANDEGZ-UHFFFAOYSA-N 429.475 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1507665008 XNYNEUCFESIJNK-UHFFFAOYSA-N 431.949 2.097 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(CCCC)nc1C 1507763541 CRWLODDREKGLAT-DYESRHJHSA-N 447.609 2.234 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@](C)(CC)C1 1508137282 YORDTGPSXYIHOD-OAQYLSRUSA-N 448.545 2.280 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1509866282 ZWPAJUMRFQZLJH-JOCHJYFZSA-N 426.521 2.246 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1517201454 PARURSFUMSVAOM-UHFFFAOYSA-N 439.488 2.255 30 10 IEEE CSCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1520546882 NKAYQQULOZSDOZ-INIZCTEOSA-N 435.561 2.470 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]2CCCC[C@@H]12 1527872912 UDEYURDLBJVIRE-IPMKNSEASA-N 433.530 2.072 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](OC)[C@H]1CCOC1 1528300335 FZNDNDMLMULLLJ-BBRMVZONSA-N 427.295 2.266 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539226007 SCMICGQQLWLOPG-ROUUACIJSA-N 449.527 2.326 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1539230603 IUGHANXOOSBNLY-KKMIYCERSA-N 444.557 2.459 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 1539269461 QUGMWLOZEACEMW-FPOVZHCZSA-N 431.558 2.280 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1539363037 IWRUCIAARAERCR-UHFFFAOYSA-N 435.532 2.174 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1539444869 WOVRARFOOADICH-UHFFFAOYSA-N 445.571 2.084 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539735110 FRTDVXMGQNXKCQ-UHFFFAOYSA-N 436.516 2.203 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCc2ccco2)CC1 1539832051 PGAMXWJQPXOTAO-QFIPXVFZSA-N 429.521 2.385 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)cc1 1540594397 NEDOBUHOBLFTDV-UHFFFAOYSA-N 429.481 2.363 30 10 IEEE C=CCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861067 AHGAIRAATASXDO-HTAPYJJXSA-N 445.568 2.333 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540866670 WCWHVODXHVOWFP-GJZGRUSLSA-N 435.843 2.154 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](CC)O[C@H](C)C1 1540875597 QTQUVAXWSIUFDQ-SJORKVTESA-N 429.521 2.172 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(N)=O)c2)C1 1540894981 INGOFEJYBXBCCF-HXUWFJFHSA-N 435.532 2.068 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1540919952 JNKPEJXMKZEPOX-UHFFFAOYSA-N 448.618 2.247 30 10 IEEE COc1cc2c(cc1OC)CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1543737865 SUWXXXKEZKFROG-UHFFFAOYSA-N 432.473 2.381 30 10 IEEE CCCN1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1547192887 FGRLIZFWWPMMRZ-OALUTQOASA-N 434.610 2.185 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)c1 1547762277 WKBVQVXRYYCJMJ-ZHRRBRCNSA-N 444.511 2.242 30 10 IEEE COCCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548380397 YNWGFJKBYZWDAV-QGZVFWFLSA-N 438.450 2.286 30 10 IEEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 1566250170 LDWJLPVYRBDUIH-CQSZACIVSA-N 440.443 2.146 30 10 IEEE C[C@@H](CN(C)CCCN(C)C)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1584248760 UZYNSHHWFRNFHI-QTSFNNJRSA-N 435.613 2.161 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)c1cc[nH]n1 1587593545 MBRZMRVBOXETRN-CYBMUJFWSA-N 427.896 2.218 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587793927 XTAJKHUDYFBUKL-QPPBQGQZSA-N 445.608 2.423 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588029249 FHVJWYXWNRNSRB-GOEBONIOSA-N 436.607 2.211 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588039709 CMGHJBBFRQAVGT-PGRDOPGGSA-N 444.557 2.150 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1588051015 ZINBGCYWTWYIIO-QGZVFWFLSA-N 427.555 2.271 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1595516254 COWKTBORZTYGAR-OAQYLSRUSA-N 428.468 2.097 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(C)C)CC1 1595516815 JRBMDGGRMUMFSK-UHFFFAOYSA-N 430.940 2.205 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1595784531 IDQKEHHXNMFTEZ-MRXNPFEDSA-N 443.529 2.150 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC2CC2)[C@@](C)(CC)C(=O)OC)ccc1F 1598218352 REKAOOSBEAXIKO-FQEVSTJZSA-N 426.510 2.484 30 10 IEEE Cc1cc(C)cc(N=C2N[C@H]3[C@@H](S2)[C@H](C(=O)NCc2ccccc2)C[C@@H](O)[C@H]3O)c1 1614963310 XNDLTVPCAXEIAF-ONUIULTDSA-N 425.554 2.423 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1615213106 GFECBPFKWYLLHS-IBGZPJMESA-N 431.562 2.383 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN(CC(F)(F)CO)CC3)c2C#N)C1 1619270090 HVMZNBYHNJFDAS-CQSZACIVSA-N 426.533 2.318 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)s1 1625269021 FQKSKMNOPCXDGL-KRWDZBQOSA-N 439.603 2.195 30 10 IEEE Cc1cnn(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(N)cc2F)c1 1629507314 WUBIHLIWJQLXAS-CQSZACIVSA-N 428.468 2.487 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2nnn(Cc3cc(C)on3)c2C)C1=O 1634476291 BJRUJZOMIOAFQR-HXUWFJFHSA-N 431.497 2.247 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)c1nccn1C 1639720849 QWPJCSUTBGPASB-UZLBHIALSA-N 437.525 2.059 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Cc1cc(Br)cc(I)c1 1639840823 UATGSFMFBARLSX-ZDUSSCGKSA-N 436.087 2.487 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cc(C#N)cs4)C3)[C@@H]2C1 1643334721 DSJFLWYZCAKCDA-KFWWJZLASA-N 432.502 2.274 30 10 IEEE COc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1S(=O)(=O)NCc1ccccn1 1648969067 VCGCMVOBFCSVRA-WMZOPIPTSA-N 428.514 2.333 30 10 IEEE Cc1c(Br)cc(C#N)c(=O)n1Cc1c(I)cnn1C 1651914915 UDRVSCPIXIRRMJ-UHFFFAOYSA-N 433.047 2.177 30 10 IEEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1653212662 NWKUUZVWPIHURM-QGZVFWFLSA-N 428.514 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC2CCN(C[C@H](O)COc3ccccc3C#N)CC2)C1 1654968730 RPSWKRNHDOWKST-SFHVURJKSA-N 431.533 2.398 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)C2)nc1 1686257479 QUCVOOHMYIPSSD-VQTJNVASSA-N 448.527 2.219 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N2CCOCC2)CCSC1 1690068046 VQBURMYDWQIJPG-HSZRJFAPSA-N 436.585 2.484 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1690077618 SIHFZTCZXNHINJ-LLVKDONJSA-N 430.427 2.244 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cc(C)nn1C 1690100041 VGNRASWUHNLAIG-UHFFFAOYSA-N 430.516 2.307 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCS2)n1 1690109208 KGZBLYBODKTOPP-IEBWSBKVSA-N 430.578 2.160 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1690190516 XLUVJEOUEPWYQP-BBTUJRGHSA-N 436.626 2.145 30 10 IEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1690474158 UJVXOPNMUYWBQK-UHFFFAOYSA-N 433.578 2.370 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1690561603 VYSJNKRQVNTMQD-UHFFFAOYSA-N 425.533 2.248 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC[C@H]2C)C1 1690688040 NARGJLFBABBFLP-NQIIRXRSSA-N 427.549 2.456 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)CCn3cccn3)n2Cc2ccc(C#N)o2)CCOC1 1692576689 CTIXFUTZGKCXJC-OAQYLSRUSA-N 425.493 2.165 30 10 IEEE Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)cs1 1693382057 QQOIEEPMMFEVKF-QFIPXVFZSA-N 437.573 2.209 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1694409704 CCXQXNVWAATSFW-UHFFFAOYSA-N 432.532 2.484 30 10 IEEE COc1ccc(CCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1F 1697416497 FLXJCGXSWSIGFJ-OAHLLOKOSA-N 436.495 2.354 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCO[C@H](C)C1 1698238900 OIBBJYTURWUSQC-GIVPXCGWSA-N 446.596 2.243 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCCN2c2cnn(C)c2)c1 1705506799 IQNZYYDDOLIJOR-HXUWFJFHSA-N 446.559 2.299 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCOC2CCOCC2)c1 1705507150 SVBREBTWHNCKLM-UHFFFAOYSA-N 425.533 2.482 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](C)C1 1705534395 HHXYWMJEGGWJME-NQIIRXRSSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)CC)CC1 1705649215 PJFFKBZXCDFTCG-QHCPKHFHSA-N 425.533 2.081 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705705862 MDFVEWDNJSDKKE-GREBRCKQSA-N 441.580 2.083 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)C1 1705709389 OKOPNXVYEDYQPF-KKSFZXQISA-N 443.573 2.496 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)CC1 1705736505 VBVWNDJOXMNGJQ-UHFFFAOYSA-N 430.553 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705938117 NGACTKZYJHFPTD-PBHICJAKSA-N 426.489 2.391 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1706057053 FUXMNMNNPRPUBW-CXAGYDPISA-N 436.438 2.499 30 10 IEEE CC1(C)CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1706955429 RGHYCOXSRGKGGF-HNENSFHCSA-N 442.545 2.072 30 10 IEEE COC[C@@H](F)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1712181571 BZXZJILVVKDNJB-UJKGCTCZSA-N 440.495 2.475 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1712877596 PSOADOGQZASZBM-XPIZARPCSA-N 430.459 2.055 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)nc2)c1 1722310694 ZGCYHTIWOYWZCC-FQEVSTJZSA-N 443.511 2.037 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722365581 FREMSTFLYMFYQE-MRXNPFEDSA-N 438.500 2.425 30 10 IEEE C#CCN(c1nnc(COCC)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1722369730 FLOPVXHBMLFEMJ-LJQANCHMSA-N 446.573 2.137 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722371537 JZBVJXHFMBKFFG-NFBKMPQASA-N 444.601 2.241 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722381733 AZGLPKVLYWBRRB-GOTSBHOMSA-N 433.556 2.318 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1722445894 DQAOUALVTIUEQN-RTWAWAEBSA-N 436.560 2.367 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)C(=O)C1 1722491766 BXPGYWVAJKECAF-YLJYHZDGSA-N 429.521 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722493607 JBZXLLPQGGKOGK-DDBAPUKQSA-N 447.536 2.292 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)NC(C)C)CC1 1722566965 GAOULMVXKPFABA-UHFFFAOYSA-N 433.578 2.362 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1722678111 LOWOOSSDQODWGV-UHFFFAOYSA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1722728999 VIUGBFMADVYTRQ-CQSZACIVSA-N 446.499 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C)C1 1722729561 OWGCAKSDYFMWBX-KRWDZBQOSA-N 428.562 2.354 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)OC(C)(C)C)n1 1724505404 WYSCAYGUSDOLCX-MRXNPFEDSA-N 427.509 2.292 30 10 IEEE Cc1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1724809648 DPLBOCMEVSPGDB-LJQANCHMSA-N 436.541 2.440 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cs1 1725345710 SPDLDTXCWFZAQZ-GHTZIAJQSA-N 447.584 2.433 30 10 IEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1728590121 HZFKXLKSTMUIOV-RXVVDRJESA-N 440.548 2.469 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740576278 TZQLNBWIMJBVRV-HOTGVXAUSA-N 427.471 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCCC1 1740631431 TXMJXBHSECLZJS-LJQANCHMSA-N 439.585 2.153 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740714335 ZWBQZSKFWOZPBK-QFIPXVFZSA-N 441.557 2.188 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1740774497 UAPFOCDKORRUSO-IBGZPJMESA-N 447.561 2.229 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1740782067 AMMZWSPAAYOOEA-INIZCTEOSA-N 425.580 2.193 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1740795368 TVNNGINHWSOKGF-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1740921843 LFFGDJWGQFKUEX-UHFFFAOYSA-N 449.558 2.305 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1740979833 LPBOMXNIRZNXMQ-HOTGVXAUSA-N 448.568 2.314 30 10 IEEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1741253193 AQVCDHPGBXEMGF-UHFFFAOYSA-N 445.527 2.335 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@@H](C)O1 1745056609 GXCJBXXYWJHDGQ-AEFFLSMTSA-N 426.521 2.257 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809873 PZSPNBCLVNPXLP-FPOVZHCZSA-N 441.601 2.220 30 10 IEEE C#CCSCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749049100 XKKVSHHIUGGSQH-JOCHJYFZSA-N 449.621 2.132 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCCc1cnn(C)n1 1749550974 NMXPOPRNBDOPAA-QGZVFWFLSA-N 426.550 2.245 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1749704001 UCIWOGQXBCMLOA-FQEVSTJZSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749729128 BPHMCPJOJXGPJB-MRXNPFEDSA-N 449.552 2.180 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CC(=O)NCc2ccco2)cc1 1750384195 QJROGFDOXJEVDY-UHFFFAOYSA-N 442.426 2.484 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1751097264 HELYPSTZEOCAOT-INIZCTEOSA-N 437.548 2.013 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC)[C@@H]1CCS(=O)(=O)C1 1760180233 APUSNPKPGNCXCJ-CQSZACIVSA-N 440.367 2.083 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760183631 CIKHURHZBJAQIG-IIBYNOLFSA-N 434.537 2.118 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1760186901 RWLVIDVVOLGTMC-NRFANRHFSA-N 443.617 2.412 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760281833 YAJPBQLOYOZGPT-MOPGFXCFSA-N 441.557 2.182 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760282702 NCZBUVCFUOJZNC-KRWDZBQOSA-N 430.965 2.103 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760351094 BZHCWRXUPRIWIF-JTSKRJEESA-N 435.569 2.173 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1760440284 GHRHFGPLFLPVGD-FQEVSTJZSA-N 445.589 2.182 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(C)(=O)=O 1760457428 RNVJGTCXQDAUTJ-UHFFFAOYSA-N 429.340 2.383 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1762050642 HLLVTTUZFBPVLP-QGZVFWFLSA-N 426.521 2.260 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(OC(C)C)nc1 1763112005 CAQOFEDHHMTQPY-QGZVFWFLSA-N 447.547 2.448 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N(CCO)CCOCC(F)(F)F)o1 1771533536 ONJNQPMWGPQVMJ-OAHLLOKOSA-N 429.399 2.020 30 10 IEEE O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851678158 XRRMANDAQYSUHG-UHFFFAOYSA-N 439.847 2.217 30 10 IEEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)cn1 1851950127 SJBKICZOIBWIDC-UHFFFAOYSA-N 435.875 2.222 30 10 IEEE CS(=O)(=O)c1ccccc1OCC(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1852545044 KWHSGBRLNKTSED-UHFFFAOYSA-N 429.498 2.053 30 10 IEEE N#Cc1ccc([C@H](CC(=O)N[C@@H]2CCc3nncn3C2)N2Cc3ccccc3C2=O)cc1 1852618776 ASRMDXZXXWWSMX-CTNGQTDRSA-N 426.480 2.368 30 10 IEEE N#CC1CCN([C@H]2CCCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1855606654 WPHYFMBAOXBXJC-IBGZPJMESA-N 435.521 2.133 30 10 IEEE COc1cc(OC)cc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)OCCO4)n2)c1 1857807629 SUVBFERVRFEISZ-KSEXSDGBSA-N 439.497 2.495 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862180661 SCAFPYNVXXYPHU-HKUYNNGSSA-N 441.528 2.312 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc2c(c1)OCCO2)c1c(F)cc(F)cc1F 1862461333 CHWINHQUYYZSAL-SFHVURJKSA-N 435.354 2.446 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)c1 1862558336 WNOXEABFDSQHCI-NRFANRHFSA-N 437.496 2.188 30 10 IEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870561440 MUISJVHLHASSCT-SFYKDHMMSA-N 439.556 2.478 30 10 IEEE C#C[C@@H](C)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883391446 VACYDAQYBJXTEJ-VLIAUNLRSA-N 427.478 2.415 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060623737 QDSFNIICTCHYOW-NAETUIJBSA-N 436.358 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)[C@@H]1CCOC1 2060642577 YZNAAOULCHVBJP-UHDSXZAQSA-N 436.358 2.467 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)C1 2247549715 NFWTVAKYMQERKK-GWMLXNDSSA-N 431.455 2.351 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C 2250120822 JYKJBXZESFSBJP-LKBUQDJMSA-N 439.509 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2255596718 YJDDGFSZKQDYQJ-UHFFFAOYSA-N 434.342 2.248 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255654807 DJXPFKDNFLJJDF-UHFFFAOYSA-N 439.293 2.048 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255704976 OKGXPPVDXDRPOI-HUUCEWRRSA-N 437.321 2.391 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)co2)OC1(C)C 2255813539 PHRBOZVFZJBMDQ-UHFFFAOYSA-N 430.232 2.110 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067053 KMVWMDDDLLACEG-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256596950 BPVAJXOOGOAGRC-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2256618036 NKXFKVVCZQPKOU-OAQYLSRUSA-N 433.314 2.003 30 10 IEEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256618409 QCKOHOKAXJLMEC-BBRMVZONSA-N 435.330 2.248 30 10 IEEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267124313 JLORPBOESXYHET-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2267138696 ZISPHIVXMQZDGX-OALUTQOASA-N 436.365 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267142405 TUGIETWDWWODRY-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267148326 YAKRJYPHYDPDLJ-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267158257 BDAIDJAAULYHBA-UHFFFAOYSA-N 438.381 2.422 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267167704 KBJMRKPOMQAACQ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267190337 MWMUMRZCTQYTHI-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267269449 FCYBEODZGUQRNK-GOSISDBHSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267280236 NWKFEGSJMLVIFR-HJPURHCSSA-N 443.353 2.368 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267512383 GHYFZRXMTAEOSL-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267517019 MKRQMNOACQLZBL-HUUCEWRRSA-N 446.357 2.038 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548737 UNFXKLQQXVRRRD-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304831 PHGANOKRVFKVMX-FKIZINRSSA-N 435.355 2.182 30 10 IEEE C=CC1(N[C@@]2(C(=O)O)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2306199520 NJDSDVRLXPGFCD-YEZVWNJWSA-N 437.537 2.462 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315682768 AEAVUSSWNAMADU-MNOVXSKESA-N 447.288 2.114 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc([N+](=O)[O-])cc1 2328261371 CKFSBQCMYLBCTL-UHFFFAOYSA-N 442.457 2.234 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccccc1C(=O)O 2328261390 NJLPTJUUPJZOMX-UHFFFAOYSA-N 441.469 2.024 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204169 HOFCBJNFWWNGPC-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)c1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)C2=O)cc1 219963964 RHMDSFIIRAWYGS-LJQANCHMSA-N 434.500 2.394 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C)nnc12 438406385 ZDUUTEJDVSDNER-KKUMJFAQSA-N 427.530 2.347 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCCN(c4cccnn4)CC3)n2C[C@@H]2CCOC2)c1 461518160 CRWXDKMOPXPIIZ-IBGZPJMESA-N 430.516 2.360 30 10 IEEE COc1cccc2c1nc(NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)n2C 472095211 OUDYWACHUICDDN-HNNXBMFYSA-N 432.440 2.297 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(c4cc(OC)cc(OC)c4)C3)cc2C1=O 480381646 HIVBPDDVZCZCOP-MRXNPFEDSA-N 435.480 2.495 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 482599972 BQJHKIQFULLUND-UHFFFAOYSA-N 438.553 2.439 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 508887777 KIUXPSRYOCPJFT-SJLPKXTDSA-N 448.593 2.428 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCO1 517592242 VDNRFIGDVNXEOG-KRWDZBQOSA-N 443.577 2.466 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)s1 518200439 QICNGULOTHJRFX-UHFFFAOYSA-N 448.573 2.422 30 10 IEEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)c1 531971736 XWJNSHHFPBYIME-UHFFFAOYSA-N 428.514 2.091 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 539166156 CNHKAYCCLADAOG-UHFFFAOYSA-N 439.497 2.132 30 10 IEEE CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546196489 HZMIVKDCQWTHLJ-UHFFFAOYSA-N 435.484 2.196 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N(C)CC1CC1 579932116 PFYFVSLVEBLEBJ-UHFFFAOYSA-N 431.562 2.388 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)/C=C/c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 585831187 QDENIOWDCBDRTK-GGLZQPHWSA-N 449.482 2.187 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N[C@H](C)c3ccccc3)cc21 586314113 OVYREYJJDTYSBT-RKXCMPKHSA-N 440.521 2.407 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CN3CCN(C)CC3)c3ccccc3)cc2C1=O 589921759 RGZISUANHFWBSL-QFIPXVFZSA-N 432.524 2.187 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1C[C@H]1CCCO1 590913975 FIKFHZFSMKOUQP-LJQANCHMSA-N 439.581 2.241 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 609499414 PNXSCTHECDCCPE-KRWDZBQOSA-N 426.429 2.339 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)cc2)nc1 609679713 AGJPPPJWGVHJFB-UHFFFAOYSA-N 426.429 2.462 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1Cc1ccccc1 610487848 SMLNROVWQFNBEQ-VQIMIIECSA-N 445.544 2.480 30 10 IEEE COC(=O)C(C)(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 610824731 LEBRMBMGYDCBJN-DNVCBOLYSA-N 443.525 2.282 30 10 IEEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CCCC1 612681264 UTENTUZGFCIQCY-HNNXBMFYSA-N 426.336 2.336 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 619569748 FTFHKGFDHBZVRV-KRWDZBQOSA-N 429.402 2.426 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1 619665912 RUTZXCDZAIBFRU-FQEVSTJZSA-N 437.521 2.424 30 10 IEEE CCCCCCCCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(=N)O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 725391359 GEMIIFLGMHAMLT-GJAXGBRVSA-N 447.532 2.181 30 10 IEEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730712874 JGEUSWSWZXSZAO-SFHVURJKSA-N 429.546 2.491 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)n(C2CCCC2)c1C 731732373 SWLBZRZNNIMNNB-UHFFFAOYSA-N 438.550 2.291 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccs3)c2=O)cn1 732565102 WNGASWAXFFJKSX-UHFFFAOYSA-N 438.578 2.303 30 10 IEEE COCCNC(=O)c1c(NC(=O)COC(=O)c2ccc(C#N)nc2)sc2c1CCCC2 734602054 VGVBCMACYONVAV-UHFFFAOYSA-N 442.497 2.065 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 735849229 YRNKOWLEXXBHLC-HNENSFHCSA-N 437.422 2.102 30 10 IEEE CCc1nc([C@H]2CCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 737880776 AEHBPSRTOXNELG-OAHLLOKOSA-N 431.518 2.205 30 10 IEEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=S)Nc1ccccc1C#N 758264943 JUFPTEMQBGYBAV-SFHVURJKSA-N 426.542 2.433 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1 758315552 DHLUNPMFSIEPHK-PKOBYXMFSA-N 441.532 2.349 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(-n2cncn2)cc1 758319484 UUJQQTQGGGLWMA-YXJHDRRASA-N 425.493 2.387 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(CCc2nnnn2C)C1=O 771550966 ZTQAPXQHXBFHQF-SFHVURJKSA-N 449.540 2.187 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)C[C@@H]2CCCC[C@H]21 779256431 LIBWQQWBJJQRMS-JQHSSLGASA-N 447.557 2.464 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)c(F)cc2F)n1 788694599 QZNSTHNDMOFKBD-UHFFFAOYSA-N 448.289 2.394 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 788818418 LXMLDAUGODFNID-HXUWFJFHSA-N 440.519 2.112 30 10 IEEE CC(Cn1cc(Br)ccc1=O)=NNc1ccc(S(=O)(=O)N(C)C)cc1 812231475 RVDSLBSLJBIIDF-UHFFFAOYSA-N 427.324 2.349 30 10 IEEE C#C[C@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(F)cc1 812865082 LOOUQUCYXNEFPZ-NRFANRHFSA-N 445.516 2.161 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 914679107 XEKJINLIALHFDH-QFBILLFUSA-N 448.541 2.217 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 916178614 GDTZQAAXSSPABF-KHPPLWFESA-N 437.521 2.456 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 916723333 YNLAKWZMLOFHOF-JOJWKMGHSA-N 436.534 2.306 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)Cn3ccc(Br)cc3=O)CC2)nc1 1127248248 HYYIKKJGENULEC-UHFFFAOYSA-N 431.290 2.384 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(OC(F)F)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1134280301 WWJRNDOBHFHUDV-BONVTDFDSA-N 435.246 2.061 30 10 IEEE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 1141313291 YDNLAYLYEKRGGD-UHFFFAOYSA-N 431.456 2.377 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21 1141593301 FOSBDNTXRVCDNX-HXOBKFHXSA-N 436.508 2.431 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)c(OC)c1 1142094388 BJCBKAUHOLTZFQ-BJMVGYQFSA-N 426.444 2.410 30 10 IEEE CCOC(=O)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 1142417261 OROXNMGPUCWFLY-HXUWFJFHSA-N 428.510 2.011 30 10 IEEE C#C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 1143126329 ALSKYRLDVWBNEP-IBGZPJMESA-N 428.510 2.397 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC2)cn1 1177114195 OSKLPJJWERYGBD-UHFFFAOYSA-N 431.250 2.169 30 10 IEEE C#Cc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 1208401479 VQZSMXRWGKQYAI-UHFFFAOYSA-N 427.526 2.154 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)NCCC#N)CCN(C(=O)OC(C)(C)C)CC1 1246661073 FQUDDQOUFIJCCW-UHFFFAOYSA-N 425.530 2.399 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(-c4nncnn4)cc3)CC2=O)cc1Cl 1277986789 SPLKSOUQYJKBMA-MRXNPFEDSA-N 433.859 2.128 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@@H]1C 1286272215 AADFMRUBWIDTCM-GJZGRUSLSA-N 435.370 2.225 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286391011 BHXDZNLDBVVILA-MRXNPFEDSA-N 435.619 2.365 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1286430985 LOTSXPMPTZHJLD-FQEVSTJZSA-N 437.519 2.133 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)COC)CC1 1286480422 WFGOGZORZKSYDT-UHFFFAOYSA-N 435.532 2.022 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOc2ncccc2Cl)CC1 1286482737 XTBYZACPCKIKNT-UHFFFAOYSA-N 437.935 2.147 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(F)ccc2OC)CC1 1286485133 VTTWPTHQYPXIKP-UHFFFAOYSA-N 437.523 2.091 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286610851 CATAIXFPKUNMOX-QGZVFWFLSA-N 439.607 2.240 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1286713881 JSVDOJALOXSPCC-GFCCVEGCSA-N 448.471 2.003 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286831118 UNWNJLMRNUMDKB-OAHLLOKOSA-N 436.582 2.206 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1286962275 YJDFKDQPDGWDCZ-UZLBHIALSA-N 441.598 2.128 30 10 IEEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H](C)C[C@H]1C 1289762485 PAYUYOGFLYBPFB-OAFZBRQQSA-N 435.546 2.317 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 1294975625 AJDCHSIGBXZPAP-UHFFFAOYSA-N 442.472 2.208 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1300302675 CFGZFCNJVOTEBL-MRXNPFEDSA-N 449.559 2.438 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(F)c1 1300509822 WETPIVSLEAFCAS-MRXNPFEDSA-N 431.537 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1300587582 QQXLWMIVQVSZIP-UHFFFAOYSA-N 435.553 2.390 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@]2(C)CCCO2)n1 1300681276 LTAUIZHMXQJBOD-QHCPKHFHSA-N 437.548 2.335 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1300710746 JZAOHVWXGPLQGR-IHFIDZABSA-N 431.581 2.105 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCS2)CC1 1301086699 NISJRDNFHPLFLS-APWZRJJASA-N 441.623 2.053 30 10 IEEE C=CCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1301237401 RILAIWOMEZLHAC-HSZRJFAPSA-N 437.548 2.490 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1301294160 NUOVGFDHMSNNRZ-UHFFFAOYSA-N 445.593 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1301575484 HEPOGDJOSDSCKU-UHFFFAOYSA-N 429.546 2.280 30 10 IEEE CSCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1302800560 GXMBIMQZEZJOJV-INIZCTEOSA-N 434.953 2.343 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCOC2)nnc1N1CCCCCCC1 1303096364 RNTKXYTZFGMFNL-JLUOLNIDSA-N 428.537 2.469 30 10 IEEE CC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CCO1 1306452010 ULVFFLYKQOLLAC-AWEZNQCLSA-N 426.502 2.398 30 10 IEEE N#Cc1cnn2c(O)cc(CN3C[C@H](CCNC(=O)C(F)(F)F)c4ccccc43)nc12 1308012009 JNVKAQIGFXRNEK-LBPRGKRZSA-N 430.390 2.479 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)N2CCOCC2)cc1 1315449699 HUQJELGYHUPOPV-FDDCHVKYSA-N 442.539 2.235 30 10 IEEE CO[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315728086 YYQZWYNVMAWFCG-QTIQAUKSSA-N 428.537 2.323 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCOCCS(C)(=O)=O 1359072412 BTKZIGVOQNVDKJ-JOCHJYFZSA-N 430.574 2.117 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125256 VQGOSWFKKCXGMK-CALCHBBNSA-N 447.584 2.476 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359219076 GGHLEJWGAOTOEH-ZWKOTPCHSA-N 444.605 2.393 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359228563 GYSLAJMZDYNLHU-UXHICEINSA-N 430.553 2.117 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCSC1 1359259105 MHCZYGZYAWJASU-JOCHJYFZSA-N 427.574 2.461 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359293811 ADXZXCWLAFOMLR-AWEZNQCLSA-N 432.912 2.178 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 1359299450 FUZVSCHAZMJLDR-NRFANRHFSA-N 438.576 2.105 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)OCCCn3nc4ccccn4c3=O)CC2=O)cc1Cl 1435232560 PSYOWDNOPISRMI-HNNXBMFYSA-N 439.859 2.007 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(Cl)c(I)cc1OC 1438600735 FZPYOIDMRQZWBB-UHFFFAOYSA-N 436.633 2.482 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1439744921 PUXLDNYFJLIVAP-YKSBVNFPSA-N 432.480 2.234 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)CC2)c1 1440874627 HLXSTXAMYHILOE-MRXNPFEDSA-N 440.301 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C[C@@H](O)CC2(C#N)CC2)C1 1459778829 JBFXMWIQGLOKKZ-CEXWTWQISA-N 434.581 2.269 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)=NO2)C1 1463870364 FDNKAZNTUXPYJM-UHFFFAOYSA-N 443.479 2.112 30 10 IEEE COC[C@@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCCN1C(=O)OC(C)(C)C 1463915009 PIRAQLBVCXGXCS-HSZRJFAPSA-N 443.548 2.408 30 10 IEEE C[C@@H]1CN(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCCO1 1466842465 WOMDSPSVVNQLHT-OAHLLOKOSA-N 435.366 2.374 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C)C(=O)OC 1467516653 UWDMIGHVYCKYDP-OALUTQOASA-N 445.516 2.464 30 10 IEEE C=CCOCC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1470405762 GSOHBNUFUDXYEU-KRWDZBQOSA-N 433.553 2.375 30 10 IEEE C#C[C@H](CCC)NC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470666473 YEBUSCAWPUQUCO-NEWSRXKRSA-N 447.580 2.366 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1503793354 UOBMUQFODSOUMT-AUSIDOKSSA-N 438.532 2.117 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1504012223 URSGEIGPDRZZGC-YJBOKZPZSA-N 443.470 2.445 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C(C)C)N1CCOCC1 1507538169 QPBMDZRDSVQFRY-CTNGQTDRSA-N 435.576 2.331 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507580624 CMYLIMVODZZZQN-KRWDZBQOSA-N 428.537 2.427 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1507623565 UGRRFCJHXBKMPH-KRWDZBQOSA-N 432.546 2.094 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507632433 LBGBAXNAIRNHHK-WOJBJXKFSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCn2ccnc2C1 1507645593 HCDIAULMLYCCHS-SFHVURJKSA-N 430.512 2.494 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@]2(C)COCCO2)n1 1507717014 PTMOCAPJUIJXEE-HSZRJFAPSA-N 442.564 2.224 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507745101 TYBFSIYFQVYKDC-NVXWUHKLSA-N 434.949 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1507804523 KFUIJSDDZREFII-KKUMJFAQSA-N 433.525 2.105 30 10 IEEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1507821421 BEQPNGVNQVOEII-UHFFFAOYSA-N 427.549 2.333 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1507882047 CZPZDVXVSAJSFM-QHCPKHFHSA-N 438.532 2.136 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2cccs2)cs1 1511544582 AKVLKPZCRWIYLO-KXBFYZLASA-N 430.559 2.332 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCO1 1514179619 HEFBXMUBAALYTG-XMSQKQJNSA-N 427.505 2.149 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@@H]2CCOC2)C1 1515455980 VNBUPGAQAZABDK-WMZOPIPTSA-N 432.546 2.166 30 10 IEEE Cc1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc(C)c1C#N 1521416236 WFMKLTRDHNPXJU-UHFFFAOYSA-N 426.542 2.041 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOC2=O)cc1 1539038880 VVZNERAXATXKTF-QRFRQXIXSA-N 439.516 2.465 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)nc2)c1 1539040408 SOOSKAPYLLCROS-UHFFFAOYSA-N 440.511 2.487 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 1539301300 CDUNOYFEOKZHQK-UHFFFAOYSA-N 449.598 2.250 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 1539517483 OQPXIZJVSMICIW-INIZCTEOSA-N 440.635 2.331 30 10 IEEE CN(CC(=O)Nc1nc2n(c1C#N)CCOC2)c1cc(Br)ccc1[N+](=O)[O-] 1539554430 XLVGXSKSJXWWIV-UHFFFAOYSA-N 435.238 2.031 30 10 IEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1539586278 HTTIBSHZFPZTLX-LBPRGKRZSA-N 438.717 2.116 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1539751278 JZODWVCSCFMCRM-MOPGFXCFSA-N 438.594 2.168 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1540044272 RHDMWCDCEVDZMI-UHFFFAOYSA-N 437.592 2.349 30 10 IEEE Cc1oc(C(=O)NCCNc2ccc(C#N)cn2)cc1CN1C(=O)c2ccccc2C1=O 1540778447 GJGRGKRMGFRQGJ-UHFFFAOYSA-N 429.436 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)c1ccco1 1540864862 NJRJMVLDCJKHFT-OAHLLOKOSA-N 443.529 2.441 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1540871274 HXHLPUGYFLHHSR-UHFFFAOYSA-N 445.656 2.164 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(OC)cc1 1540873134 NVCHHRDQZPZFRZ-UHFFFAOYSA-N 445.527 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1C1CCC1 1540897960 WPFUQLQGIHRADX-KRWDZBQOSA-N 444.561 2.295 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540912452 YYYFYZPYNXNTAR-OAHLLOKOSA-N 444.561 2.095 30 10 IEEE C=C(C)C[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(=O)OC 1544352408 UYRBMUWAJVMJOO-OAHLLOKOSA-N 436.306 2.144 30 10 IEEE CCN(CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547492828 PSWWYTBSIGLJPP-MRXNPFEDSA-N 425.537 2.049 30 10 IEEE CCOCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1548277880 VYJUMRUUPIUMMG-QHCPKHFHSA-N 440.548 2.165 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)ccc1F 1556691458 LHYGCUAPUZTFPF-AWEZNQCLSA-N 429.514 2.323 30 10 IEEE COc1c(O)nc(O)nc1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558634152 VNUSCHGAJPSWPU-RFZPGFLSSA-N 437.243 2.139 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc4c(c3C#N)COCC4)CC2)cc1 1585440475 HCAVOFAEHQVPFO-UHFFFAOYSA-N 440.525 2.374 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(CN2CCOCC2)CCCCC1 1588433216 NDQBPTLBGPHYNJ-UHFFFAOYSA-N 442.608 2.143 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCOCC1 1588697608 UHTOJVSLNBGDGV-WOJBJXKFSA-N 433.597 2.005 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1588800449 HKDDKEIRJGPPHL-GOSISDBHSA-N 439.564 2.399 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1589069959 PDNJOLOQYPERDN-GOSISDBHSA-N 441.605 2.388 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@](C)=O)CC1 1595283596 UUOZGUIQUYBGSE-PMERELPUSA-N 432.546 2.266 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1595614200 PQSMEWFDBGMCQH-LAUBAEHRSA-N 445.520 2.235 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1595892647 KSQQPTJTXJICQF-UHFFFAOYSA-N 443.500 2.466 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1596821563 DBVHTGGKCHXZJU-FUHWJXTLSA-N 446.577 2.067 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1596839985 ANJSJOUUXWISNP-INIZCTEOSA-N 430.578 2.497 30 10 IEEE C[C@H](CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)NS(=O)(=O)c1cccnc1Cl 1598184689 BLYRIUZGFJONDF-RHSMWYFYSA-N 448.932 2.264 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCC2CCN(C3CCN(C)CC3)CC2)c1 1615773156 NQRHXQPNSQECEM-UHFFFAOYSA-N 439.604 2.444 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620347786 COXZWWSVCFEAEN-BDIWWCJBSA-N 449.490 2.032 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCCOC4)C3)n2CC(=O)NCC(F)F)c1 1620349012 LAERDEAWHMLQBB-NRFANRHFSA-N 430.459 2.205 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1624940623 UHZJHZZOUYNZBR-KRWDZBQOSA-N 443.552 2.262 30 10 IEEE C#CCN(C(=O)NCCOCC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 1635381961 ZUCYWNGUFYYLEY-MRXNPFEDSA-N 439.306 2.497 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 1636072928 UVECOVJWJXNQKR-VAWYXSNFSA-N 429.494 2.138 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)s1 1637306636 LXUKKPKVPLPPBE-ZDUSSCGKSA-N 428.482 2.153 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 1639344876 HBCXRNQNWBKPKB-NRFANRHFSA-N 440.525 2.379 30 10 IEEE C=CCOc1cccnc1C(=O)N1CCC(n2nncc2I)CC1 1641463070 PSUAEKAVPUNOFY-UHFFFAOYSA-N 439.257 2.320 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O 1641749546 LTFRPVGCKQNHQT-OPAMFIHVSA-N 436.508 2.165 30 10 IEEE C[C@H]1Oc2ccc(C(=O)C3CCN(C[C@@H](O)CC4(C#N)CCOCC4)CC3)cc2NC1=O 1644837617 NGFUSGSTCXMPKY-APWZRJJASA-N 441.528 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3ccsc3C#N)CC2)C1 1645390696 BIEBHJJWEJOIEE-YCRPNKLZSA-N 432.546 2.294 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1662577696 YFIWAAAIMKSWSB-BETUJISGSA-N 441.278 2.440 30 10 IEEE Cn1nccc1[C@H](O)C1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1664614994 ADTXKSROTZDSOO-QGZVFWFLSA-N 439.335 2.189 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](NC3CCOCC3)C2)cc1Br 1672271835 GJSAAERRVHAAIJ-AWEZNQCLSA-N 446.342 2.382 30 10 IEEE C#CCN(C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1676685046 QEIUYOFMOCYNNZ-GOEBONIOSA-N 426.922 2.410 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3noc4ccc(F)cc34)CC2)cc1 1683525748 XRZDCWZXCYTFIX-UHFFFAOYSA-N 443.460 2.055 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1686112587 NOGVSBLKUMSTSD-CYBMUJFWSA-N 428.327 2.204 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689983727 GATFHQQWBGAFRN-WJPUGNRLSA-N 434.562 2.270 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1689986849 XZFCASLIONDXNV-SJORKVTESA-N 430.505 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(OC)C1CC1 1690013306 JUJAKYPZUMDCMW-DEOSSOPVSA-N 430.512 2.080 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cnnn1 1690062677 YXZPBKQDHONHKI-UHFFFAOYSA-N 433.289 2.383 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)C1(OC)CCOCC1 1690087433 XGZLECMYKSYGLQ-IRXDYDNUSA-N 442.507 2.293 30 10 IEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)CC1 1690184096 DFQIAKKVTRANRC-UHFFFAOYSA-N 431.587 2.272 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690309906 NLZNOVAZTYBQQG-IBGZPJMESA-N 436.520 2.039 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690464476 CCHJXQGKAGXIOC-DYESRHJHSA-N 438.594 2.311 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1690480859 QAEUCOPYYPSANT-HXUWFJFHSA-N 432.532 2.050 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1690523667 JQGPVVOTBYFAMK-UHFFFAOYSA-N 428.518 2.183 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)C1 1690697553 XNQSAFOQGBVPCY-KGLIPLIRSA-N 431.566 2.208 30 10 IEEE CC(C)C(=O)NCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1691519287 RHJHUMROGNKAQZ-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)N2CCOCC2)CCOC1 1692584268 UXIYHVWOSOKZHB-CVDCTZTESA-N 446.596 2.169 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1695289736 BNLCSZWQDUSVFU-HYBUGGRVSA-N 437.592 2.051 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C3CC3)C2=O)cc1 1697480551 YPCCFBCROBCULW-WAIKUNEKSA-N 438.532 2.472 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1705491893 JAVORTRYLTZDOL-LNLFQRSKSA-N 427.574 2.089 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705517022 NMOSCUZSZURMTH-ZWKOTPCHSA-N 430.578 2.101 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCC1 1705605315 HSHMUXKDUVDMLT-UHFFFAOYSA-N 443.621 2.492 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1705613560 JRDRGHBIPCRYNZ-SFHVURJKSA-N 447.580 2.394 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1705846716 PWKVXWFTCKUIDF-OAQYLSRUSA-N 438.576 2.405 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1705867136 IFUWENBJSRTZBE-ZRNYENFQSA-N 430.597 2.135 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(OC)CCOC1 1705882624 DPFSOTMCZMVHDV-JOCHJYFZSA-N 430.505 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2ccnc2C)C1 1705928907 IZNGRPMYJGQJFZ-QGZVFWFLSA-N 441.561 2.256 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC)C1 1705929124 JXIMAYYNGVQNHG-SFHVURJKSA-N 426.521 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C 1705938171 PFNPHDNOJIMREQ-OAHLLOKOSA-N 440.953 2.336 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1706516343 BCQZOPBLYILPED-QIJUGHKUSA-N 438.576 2.381 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)NC(C)(C)C 1712641840 SBLKTUZZUANZSS-ZJBJCVSYSA-N 432.569 2.437 30 10 IEEE CS[C@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712779542 TZUTXWUAKABGIV-YOEHRIQHSA-N 435.575 2.415 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1722465571 OEJLTZLDEWGONO-UHFFFAOYSA-N 446.552 2.214 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1722488680 BLVXLFVJTZBAKR-ZDUSSCGKSA-N 433.310 2.337 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1723020619 WYGRHKXKNKTFPJ-VCJKXJKGSA-N 443.529 2.478 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1726516404 CPBGQOMZZFECSV-ZBFHGGJFSA-N 428.562 2.385 30 10 IEEE CCc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cs1 1727474735 AKPBNNNJLZRMBG-CQSZACIVSA-N 443.558 2.066 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cn[nH]c1 1729564265 DDMUQMINJQJEPY-QGZVFWFLSA-N 433.289 2.454 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(SC)CCN(C)CC1 1730837798 AGRQOIKPFUQTHL-VQIMIIECSA-N 440.589 2.271 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1740532895 MPBSNYKZFNZDEM-CHWSQXEVSA-N 445.467 2.293 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H]1OC 1740602497 NLFUMHOWFWDNGC-MJGOQNOKSA-N 431.562 2.080 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740625311 NDLFEOWQZBEHEE-LJQANCHMSA-N 446.548 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCCC 1740635152 LUDILILXOAPPFY-UHFFFAOYSA-N 444.333 2.315 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC=CCO2)n1 1740689741 ZYPSMRZGVASQFR-LEWJYISDSA-N 440.548 2.348 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(OCC)c2)CC1 1740698187 QIYGHAJYRMHPOQ-UHFFFAOYSA-N 446.555 2.475 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740715734 FCPGXFJYNZPFMI-UHFFFAOYSA-N 427.578 2.346 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740795111 OGNCDBSPLHJPIO-SFHVURJKSA-N 441.532 2.043 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740845771 BAKPYKITNPIILO-UHFFFAOYSA-N 425.537 2.407 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(OC)CCOC1 1740932902 YRUWLQINCJDVGY-QHCPKHFHSA-N 439.564 2.436 30 10 IEEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748741024 XWVDXCCIMHNPOG-KRWDZBQOSA-N 438.557 2.377 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCCN1CCC(O)CC1 1748780584 CPWARQFCXPPIJF-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1nccnc1C 1748951273 WPHMTVCPTGUNRW-UHFFFAOYSA-N 444.337 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(OC)cc2)CC1 1748991112 QPVCGEWUJJVCEZ-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCc2c(C)noc2C)CC1 1748993430 XFJCHOWGUHMZSR-UHFFFAOYSA-N 434.544 2.480 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1748994294 XWNXUNBCDDAQSI-UHFFFAOYSA-N 433.535 2.273 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749048509 OPBAUKZGQUYKBS-UHFFFAOYSA-N 431.537 2.283 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749277397 BIEPKOBINQNCPQ-AWEZNQCLSA-N 445.877 2.397 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749280635 NQPIBIJOMAGBFE-OAHLLOKOSA-N 448.886 2.221 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749414518 FTGTWFPSAKPTSG-KRWDZBQOSA-N 434.522 2.338 30 10 IEEE C=CCCOCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1749461354 PPUKTRBTBXLFCP-HSZRJFAPSA-N 449.596 2.218 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(N)=O)C1 1749689204 FMSXKIKIGBBREL-IBGZPJMESA-N 435.532 2.064 30 10 IEEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1749844894 LUYMJHFQHBAWPP-KRWDZBQOSA-N 434.541 2.363 30 10 IEEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1750388634 QPVTWEQXHMHQET-YADHBBJMSA-N 438.576 2.029 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC[C@H](F)C1 1750966118 CNDCMRCYUXSCAR-WMZOPIPTSA-N 440.527 2.148 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1760111466 NAPKAOURWGNWHQ-MAUKXSAKSA-N 447.543 2.048 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC(F)(F)F)c1 1760120042 GZCQTMVQBPRXGM-CQSZACIVSA-N 436.438 2.243 30 10 IEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1760179750 YMNVBHTZVYNGQE-CGZBRXJRSA-N 435.594 2.040 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1760190271 VCMGQEITBUCMJO-MRXNPFEDSA-N 436.484 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCOCC1 1760216116 ASUHQWMTQIXEMI-UHFFFAOYSA-N 430.512 2.082 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1760466861 LINVGPSYJJAVFL-UHFFFAOYSA-N 429.340 2.286 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1760477530 CLUBAKMWAOXXKJ-WMZHIEFXSA-N 441.532 2.236 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC)C1 1760542997 PLCACWBXGYTZCZ-MSOLQXFVSA-N 427.505 2.076 30 10 IEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760560986 MGYXGDNEEYEAKY-IBGZPJMESA-N 431.562 2.214 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760677790 NBJSHYHRGVOYOK-QHCPKHFHSA-N 438.532 2.117 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCOCC1 1761880657 GTAHBYSNSSRKHZ-GOSISDBHSA-N 439.564 2.316 30 10 IEEE Cc1nc(Cc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1762279658 SRCIQHMIQIHUOE-JSDXIQQBSA-N 441.561 2.252 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCCO1 1762694531 UMERTVKYTCEJFG-FXAWDEMLSA-N 438.532 2.069 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1766648504 YHSCKEFCXHGMCC-VQIMIIECSA-N 429.546 2.421 30 10 IEEE CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CC#N 1766680064 HMOIVHBLWWMGIV-INIZCTEOSA-N 432.550 2.320 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccccc3C)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1769878942 DOLMRMUYRGIHDU-HTAPYJJXSA-N 426.496 2.190 30 10 IEEE COc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)(C)O)c1 1770345494 UKIXAXLRUOCYBE-UHFFFAOYSA-N 433.516 2.318 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)CC2)CC1 1848954361 FNVMCPMWYVBAON-UHFFFAOYSA-N 449.548 2.380 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c(C#N)c(C)nn1Cc1ccccc1 1851696619 APNSQKUSXJTGFR-UHFFFAOYSA-N 447.499 2.137 30 10 IEEE COc1cc(C#N)ccc1NC(=O)[C@H]1C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1852343695 OAWGUPUAGSLJJS-JKSUJKDBSA-N 428.489 2.221 30 10 IEEE C#CC(C)(C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 1852510376 UQOKVVGCRGDAGH-FQEVSTJZSA-N 435.528 2.238 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2=O)cc1 1853865045 NNZBFMSCACXMHY-UHFFFAOYSA-N 445.928 2.345 30 10 IEEE N#Cc1ccnc(OCC2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCCS4)C3=O)CC2)c1 1854419520 HWKRKOUEWNLCLS-MOPGFXCFSA-N 428.558 2.457 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3cc(F)cc(Cl)c3)C2)C1 1856433425 NMZSSTWOSJPQRK-ZDUSSCGKSA-N 428.851 2.498 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C(=O)O2)CC1 1856635833 VASUHKHWZXVMMR-OAHLLOKOSA-N 445.419 2.232 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CCc4ccccc43)C2)CC1 1857017751 CAXVKSSDAZJEDK-RTBURBONSA-N 429.542 2.047 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862678937 YEAPWMSCZSMAJB-LJQANCHMSA-N 428.416 2.254 30 10 IEEE Cc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874533071 QLALURQJFOHUNI-UFWORHAWSA-N 435.462 2.439 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226631 OEKSEUBRMQNJPM-IRXDYDNUSA-N 440.548 2.291 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 1889619647 YECVPWUSACCFEK-UHFFFAOYSA-N 440.009 2.151 30 10 IEEE COc1ccc(CN2C(=O)CCC[C@@H]2C(=O)N2CC(COc3cccnc3C#N)C2)cc1 1891240257 BKXUEOABALNIQS-OAQYLSRUSA-N 434.496 2.380 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 1891896059 WQQLKIJOLCPLFF-FQEVSTJZSA-N 440.525 2.034 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2010034758 ZVVYLJOXSBFFLZ-HUUCEWRRSA-N 441.525 2.167 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060768865 BXVIBHRAZXARJD-RTBURBONSA-N 432.370 2.446 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124535296 LTUYPCZPIOWXCL-SFHVURJKSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128723827 FAYYABXZGURMSR-SFHVURJKSA-N 446.353 2.238 30 10 IEEE N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c1 2174787549 VJIJIAHWFNICAY-RTBURBONSA-N 433.461 2.060 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(F)c1 2195346991 CRQMCZXVZNQPSP-GOSISDBHSA-N 434.445 2.382 30 10 IEEE C=CC[C@H](CO)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 2202058500 VJOCHZYRWMWGKI-QMMMGPOBSA-N 428.146 2.257 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243435816 XSMJRLCMXSCBHT-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247777992 VQCBZOSIGQCYKB-CYBMUJFWSA-N 440.371 2.005 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2248402361 VYRJFYLCVGYLIJ-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2253627481 BCMDRRLZXXASRB-NRKLIOEPSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H]1CO 2254804677 ZVOILTKYPCIKSJ-DOTOQJQBSA-N 433.358 2.093 30 10 IEEE CC[C@H](CN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255537948 DEOMCVMKHSQOLR-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256666398 SIVBGOBZEKMZBT-HUUCEWRRSA-N 440.321 2.143 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267002511 ANZFLRWYVSEQCF-LJQANCHMSA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267142292 RVKQWTVGFZJAMH-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267144760 BLTQYXOLBNIBKP-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267147585 VXQBGTWWXFWENU-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE Cc1c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267147951 YBJKBGTYDHZBKN-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CCN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267515011 IIWSTZUOKWNUFF-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2267599865 WXNUKWIJYZMWSY-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267880271 RQQYSCPLTVICFY-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268633980 VKMDIYQDRIRDKE-RDTXWAMCSA-N 446.353 2.102 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H]2COCC[C@H]21 2268648315 XXPMNTBUPRELKC-FGTMMUONSA-N 448.369 2.400 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268648780 DFQOGZJVVGMBFJ-CVEARBPZSA-N 447.341 2.344 30 10 IEEE C=C1CC(CO)(NS(=O)(=O)c2c(Br)cc(N)cc2Br)C1 2280094021 MUQLADMKVCMUBV-UHFFFAOYSA-N 426.130 2.153 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300304919 QOSZWGVIZYDTIK-INIZCTEOSA-N 432.351 2.092 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2315400375 VRTKGYCJSIRPMC-IAGOWNOFSA-N 433.358 2.154 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2315637554 HHGUXGWJIJMCFX-XJKSGUPXSA-N 446.334 2.231 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2315642943 IXSLJHRTPKSPQD-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CCO1 2322305938 CKJAHRWGROFGAF-AWEZNQCLSA-N 437.321 2.250 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC2(NC(=O)OC(C)(C)C)CC2)n1C 2337187306 CPYJOQYSUIUGOF-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2nc(F)ccc2Br)[C@H](C#N)C1 2342386960 MDNAJVYRSOKXSE-SNVBAGLBSA-N 449.302 2.117 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc(Cl)cc2)CC1 17112270 YRKHCETUNXGWKD-UHFFFAOYSA-N 432.933 2.470 30 10 IEEE COc1ccc(/C=N/Nc2nc(SCC(=O)NC(C)C)n[nH]2)cc1OCn1cccn1 20424480 DSXDJSUHLULXQO-KEBDBYFISA-N 444.521 2.109 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 21631966 RFZFCTCDONIPBG-UHFFFAOYSA-N 431.496 2.325 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4nc(C)c(C#N)cc4Cl)CC3)C2=O)n(C)n1 461953348 BFJUJJMPRMECMC-GOSISDBHSA-N 427.940 2.275 30 10 IEEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481261199 UTIBKFDNWRROGA-DLBZAZTESA-N 443.525 2.063 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 505668973 CFOVZHHAONGWAI-UHFFFAOYSA-N 431.514 2.310 30 10 IEEE COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513784121 LIPIKBWJEZTDOX-JOCHJYFZSA-N 439.493 2.124 30 10 IEEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OCC2CC2)c1=O 516829595 SJHPOBSVVKTMKH-UHFFFAOYSA-N 437.565 2.234 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cc2C1=O 522897194 AAUJYBYADUQPOR-LJQANCHMSA-N 446.488 2.494 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 541934739 SHGMSOBHRRCURC-OXJNMPFZSA-N 427.567 2.101 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)n1 546169411 SSKUJBWCWJPOON-CQSZACIVSA-N 427.867 2.447 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H]2CCCO2)n1 549848162 NKFPTVXZGAKUHX-IBGZPJMESA-N 430.516 2.421 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1nc(-c2cccnc2)no1 561361380 RVRXHBOIQVAPCQ-KRWDZBQOSA-N 437.529 2.034 30 10 IEEE COc1ccc(Br)cc1[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)C(=O)O 562373425 KDTPITBAGAKGBJ-HNNXBMFYSA-N 440.275 2.137 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)c1 603798653 AHCVXMBNZRBIDG-UHFFFAOYSA-N 433.533 2.244 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cc1C 611030030 PJBOUAISKYXLOK-UHFFFAOYSA-N 428.579 2.462 30 10 IEEE C#CCN(C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 729335108 IDYSIPGKKFHTEA-OAHLLOKOSA-N 433.448 2.218 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1 730560257 DBUSIEPJBRRHLA-UHFFFAOYSA-N 435.546 2.070 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)c(Cl)c3)c2=O)cn1 735068957 NJTXRUKHBIXLCB-UHFFFAOYSA-N 425.901 2.194 30 10 IEEE COc1ccc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1C#N 746859305 ORVJWYZGDDCVCJ-UHFFFAOYSA-N 437.456 2.074 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 755327587 BIJWHOQEYLPPMA-HKUYNNGSSA-N 444.532 2.499 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCCC1 756912223 MFSZHIAROLAWGK-QZTJIDSGSA-N 433.574 2.301 30 10 IEEE O=S1(=O)N/C(=N/CCCc2nc(CCn3cnc4ccccc43)no2)c2ccccc21 761372314 QYYGEWDIZDHOLW-UHFFFAOYSA-N 436.497 2.333 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCN(c4cc(C)nn4C)C3)ccc2c1=O 769287817 UIFJAKNZGKVQFZ-MRXNPFEDSA-N 438.557 2.312 30 10 IEEE C#CCN(C(=O)Nc1cnn(-c2ccccc2Br)c1)[C@H]1CCS(=O)(=O)C1 774057782 GVXMELLCMZEVGL-AWEZNQCLSA-N 437.319 2.289 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cc(F)ccc2OC)C1=O 777466591 AMZZIFIJSRSCLN-KRWDZBQOSA-N 444.488 2.201 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CC3)c2=O)s1 794609806 SHTMSNHUFPSNSQ-CQSZACIVSA-N 443.594 2.398 30 10 IEEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)nn1 811184111 LKRJMUMOFHPAMZ-NHCUHLMSSA-N 448.435 2.312 30 10 IEEE C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 853721247 AFYULNROSUDZEE-KBPBESRZSA-N 449.916 2.299 30 10 IEEE CC(C)(C)OC(=O)C1(c2noc(CC/N=C3/NS(=O)(=O)c4ccccc43)n2)CCC1 904829631 OYKOTIPMLXKBCD-UHFFFAOYSA-N 432.502 2.114 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1C 923505410 CEZKGUFSQHXKGR-HNNXBMFYSA-N 445.497 2.143 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1132192889 SFZPSGFGJOLEGY-WMLDXEAASA-N 446.928 2.417 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)s1 1136754646 ZIXFWXCONUORCZ-ZDUSSCGKSA-N 431.580 2.127 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)c3sccc3CC#N)C2)C(=O)C1 1138383020 IFEOEXMTHDBMFA-MRXNPFEDSA-N 432.546 2.498 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCC[C@@H]3N3CCC(O)CC3)CC2=O)cc1Cl 1152692692 ALUWNBAFUHPYOX-XPGWFJOJSA-N 430.936 2.059 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)cc2)nc1 1153327766 YCHOMMCXDLMKNR-OAQYLSRUSA-N 435.528 2.272 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1286386499 BJNKKFHFMUXFOD-QGZVFWFLSA-N 432.546 2.007 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286386651 FJKIVTSJMJDFPW-LJQANCHMSA-N 443.573 2.316 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ncccc2F)CC1 1286505045 YISWFKXYKOKMHF-UHFFFAOYSA-N 440.552 2.296 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286520093 WHCIZCSAPJSSFB-HYBUGGRVSA-N 435.576 2.275 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1286568312 SUUXSERWFJDNKG-INIZCTEOSA-N 448.593 2.041 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1286582121 RHJHKGVWAZUSQU-QGZVFWFLSA-N 441.561 2.212 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C)c2)C1 1286799774 ACRVLTIICKIUCN-PKOBYXMFSA-N 433.578 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1286805862 XIZHQBHVNRNRPV-LEWJYISDSA-N 426.565 2.478 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1286968516 SBVGFIBPJHBHAU-DLBZAZTESA-N 436.557 2.345 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1C(F)(F)C12CCC2 1288808704 YRLPIJRXTYITRV-JSGCOSHPSA-N 428.509 2.064 30 10 IEEE CCOc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1296854542 PLFOOYPPKFGDED-XXBNENTESA-N 441.532 2.494 30 10 IEEE Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1299877723 MRSLNNRMRRJTCZ-LSDHHAIUSA-N 438.550 2.219 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)CCOC 1300274664 YBZWXBHVFXMIPL-VFNWGFHPSA-N 433.940 2.107 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1300619662 ZVJUIHCEHOHZMQ-UHFFFAOYSA-N 435.532 2.049 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1300719589 HPPRMMCSGQPBCB-DEOSSOPVSA-N 436.560 2.247 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300852869 FARQNCFITCYXIJ-KRWDZBQOSA-N 437.367 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300884609 KYLBJTFNKQHZGY-WOZUAGRISA-N 431.581 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1300885519 QDEJXZJANLRSCT-VYDXJSESSA-N 437.591 2.254 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301056698 HFYAYGXWUALRGF-KRWDZBQOSA-N 439.969 2.436 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1301196336 AJSTYBGWMKPQIG-KRWDZBQOSA-N 443.577 2.053 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1301296360 GEQLIGGMRICGCS-YJBOKZPZSA-N 437.541 2.176 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301490635 XABXEGFLQICFCI-HXUWFJFHSA-N 449.342 2.413 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301611505 DAJNKTHPCBOLKJ-CVEARBPZSA-N 428.624 2.351 30 10 IEEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1301933213 ZEPUJAJRSOCIBL-UHFFFAOYSA-N 440.552 2.066 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cnn(-c3ccccc3)c2I)C1 1303559276 YBVYVNRZEQMGRD-CQSZACIVSA-N 434.281 2.304 30 10 IEEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1305060365 VZWNKRKFGDVGLX-YWBAYFEHSA-N 447.499 2.244 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)Nc2ccccc2I)CC1 1307773918 BDBKZGDUIZXTQJ-UHFFFAOYSA-N 427.242 2.008 30 10 IEEE COCCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN/C(O)=C1\N=CC=CC1=O 1316057180 PPEBUAKJOMTGGB-XUTLUUPISA-N 436.472 2.300 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1316284584 BAOAAQOECKKCMT-XJBIIRKISA-N 447.486 2.491 30 10 IEEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1316364558 BSKDDLCBDVVVJS-WWOZWPLTSA-N 428.493 2.082 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2nnc3n2CCCCC3)c1 1358903088 KWJVOHHVISONMT-UHFFFAOYSA-N 432.532 2.263 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1-n1cccn1 1358970704 VOYWRVMNHILORX-XMMPIXPASA-N 430.512 2.237 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2c(C)noc2C)n1 1359027423 IZICOUDOOCOSBE-UHFFFAOYSA-N 446.515 2.476 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)CC1 1359052384 DCCUKNSPYBXZIA-UHFFFAOYSA-N 434.587 2.288 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359056813 MBIPRCAGDICZFM-RBUKOAKNSA-N 441.605 2.434 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359173239 ZZMVGYJOZYBNEV-ZWKOTPCHSA-N 426.521 2.379 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359216457 WUTVUWRAULHBHP-QHCPKHFHSA-N 438.580 2.381 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359297851 FAFHZVUBAQZCOL-OAQYLSRUSA-N 431.544 2.353 30 10 IEEE CC(C)Cc1nnc(N2CCc3ccc(O)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359827114 YLRYUMGXMOKHDA-DQRAZIAOSA-N 436.516 2.271 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)o1 1361251005 FTNXUVBIRLAWQI-UHFFFAOYSA-N 440.529 2.390 30 10 IEEE Cn1cc(C(=O)NCC2CCN(C(=O)c3cccc(C#N)c3Br)CC2)cn1 1442715309 JMAUJGABBWQMBH-UHFFFAOYSA-N 430.306 2.336 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCN(c2ccccc2F)C1=O 1443827551 WXVHHKNYISSBGH-GOSISDBHSA-N 433.436 2.140 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cnn(C)c2)C2(CCOCC2)C1 1449897856 SZRSIHMOPMUKIL-OALUTQOASA-N 430.549 2.449 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cccs1)C1(CO)CCC1 1452428325 HRPZYHDGOKFUSI-KSSFIOAISA-N 433.555 2.307 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1463302651 ZSQGWBGHAFYPGO-LZLYRXPVSA-N 425.432 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCn2cc(Br)cn2)CC1 1467872206 BCYYMZBSZXCQSU-UHFFFAOYSA-N 425.327 2.412 30 10 IEEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1ccc(Br)cc1C#N)C2 1467963355 ARUQWDDTVMXAHK-UHFFFAOYSA-N 434.315 2.427 30 10 IEEE N#Cc1cn(CC(=O)NCCc2ccc(OC(F)F)cc2)nc1I 1473050320 NGNLZAKSRLHJEC-UHFFFAOYSA-N 446.195 2.320 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1503522222 NWPCEQBIZSPUJB-INIZCTEOSA-N 443.458 2.286 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1504848825 BPGFDNWASOGKDK-OAQYLSRUSA-N 430.578 2.249 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccs1 1504992920 BGMDGOFIGJDOMB-AEFFLSMTSA-N 430.578 2.483 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccncc3)n2CCCCCCO)CC1 1505319807 LMJBODQSWCWLHB-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCc2cn[nH]c2)c1 1507550109 UNNOATWPMRJKLY-UHFFFAOYSA-N 426.484 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(OC)ccc1OC 1507653747 TWMNNXWPVFTWEN-UHFFFAOYSA-N 433.468 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](OC)[C@H](C)CC 1507663947 DMLVXINDSIJACT-NQIIRXRSSA-N 432.532 2.445 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCc2ccco2)CC1 1507727003 FRCHHQXGXZQZPT-UHFFFAOYSA-N 446.555 2.118 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507768108 LNYSOBFONGSVBY-OIMFZILRSA-N 428.581 2.109 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507981173 XAEBDULRLKZAOQ-OALUTQOASA-N 430.578 2.090 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCO2 1508041649 ITIDPYWMXFNGMZ-UHFFFAOYSA-N 425.533 2.413 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1508095812 VVCXIZHRLQIVEY-KRWDZBQOSA-N 443.552 2.397 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1508231637 HFKZKPMNIUIICE-UHFFFAOYSA-N 435.488 2.132 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(C)CCOCC1 1510153077 CBMUZJJRLHPAMI-INIZCTEOSA-N 446.577 2.213 30 10 IEEE Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCCN(C)CC(F)(F)F 1511891936 JDBGSFOPPDRKIL-UHFFFAOYSA-N 434.404 2.493 30 10 IEEE CO[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1517855615 UHIGVNZGXKEPFJ-RBUKOAKNSA-N 429.594 2.481 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1518759046 WZQCEUIWOKKDFS-QZTJIDSGSA-N 435.525 2.205 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1519426366 YVYOMKDQKGFTIU-HCXYKTFWSA-N 433.553 2.184 30 10 IEEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)O1 1538456133 IBZLHPQKHBWHFH-HBMCJLEFSA-N 429.517 2.135 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(C)C2CC2)c1 1539042902 LAEPLQSVXFTFQK-MJGOQNOKSA-N 436.560 2.321 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CC(OCC)C1 1539257055 DSHKEHVESZZJLH-UHFFFAOYSA-N 444.539 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1539344213 XRMXGGASEDYQDL-CYBMUJFWSA-N 425.942 2.058 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCNC(=O)C2CCC2)CC1 1539444842 VSSYBTZONJHVJL-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1539743224 YWRUOQWGNZDPNT-UHFFFAOYSA-N 427.553 2.110 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)(F)C(F)F)CC1 1539847368 DQVLQGXBYDGYNZ-CYBMUJFWSA-N 440.463 2.254 30 10 IEEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1540022030 ZHPXAJYICJTQRM-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)NC(C)C)cc1 1540877539 YTLZOYGBBQBZJE-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC1 1540898473 LJHWEBAXBPBUQV-UHFFFAOYSA-N 442.383 2.493 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1541111050 DFJPYBVHTBQVME-KRWDZBQOSA-N 435.532 2.395 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(C#CCO)c3)cc2)C1 1542073602 LYBVPPFYRCKYAC-GOSISDBHSA-N 426.538 2.381 30 10 IEEE CCc1nnc(N2CCC(OC3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546484966 QBCPAXMGXXRQMV-QZQOTICOSA-N 428.537 2.295 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCCO)C1 1555985253 LOLFZGXNFKDMGZ-QFIPXVFZSA-N 442.543 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 1556455868 XKQYZTUNFFPJGA-IBGZPJMESA-N 428.533 2.487 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Br 1557364756 XYUBGOIUSCWJBK-BBRMVZONSA-N 427.364 2.191 30 10 IEEE C#CC1(O)CCN(C(=O)N[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1564179892 UHPUFFBNYZTIRQ-NRFANRHFSA-N 442.537 2.358 30 10 IEEE COc1ccccc1[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1564690565 UGNPUDLKCZPKJK-IFMALSPDSA-N 434.496 2.451 30 10 IEEE Cn1nnc2c1CC[C@@H](NC(=O)[C@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)C2 1570816566 BGCFPRXVRSZQFI-OXQOHEQNSA-N 436.516 2.195 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1584653368 JVIIKFKADFGQHW-MRXNPFEDSA-N 436.530 2.119 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1587926649 CGYXHBUDVIGMDS-GOSISDBHSA-N 426.565 2.058 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588029151 DPCQNJPHEHNFGP-SFHVURJKSA-N 449.621 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNS(=O)(=O)CC 1588099468 NWPBFMXNHVCZLH-MRXNPFEDSA-N 445.614 2.144 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCOC1 1588594759 KFNYIZHBBZKWTM-KSFYIVLOSA-N 430.574 2.369 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1588871697 NHYFOSNZIFBSHO-UHFFFAOYSA-N 435.475 2.228 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1589088808 JPGYVPKYVRIYLO-NJNPRVFISA-N 427.574 2.403 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccon1 1589347155 HPCGCEXCOCKRHS-UHFFFAOYSA-N 442.281 2.454 30 10 IEEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1594767332 SMRYRMPDTLYZAM-KRWDZBQOSA-N 431.562 2.496 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594812182 CUIBCTMRGIZSTM-QFBILLFUSA-N 448.545 2.007 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2ccc(F)cc2)C1 1595715464 WXLRWEQUXDPVIC-SFHVURJKSA-N 425.468 2.238 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1595866393 JBNUGHWMAXDVSV-SFHVURJKSA-N 430.578 2.030 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N=[S@](C)(=O)c2ccc(OC)cc2)s1 1597011605 VDOMCIDRGOMFEI-AREMUKBSSA-N 428.557 2.447 30 10 IEEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1597745024 GSGUPMQFBHFLOJ-SFHVURJKSA-N 426.496 2.360 30 10 IEEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1603039463 ZXXRQWWRTOQULY-UHFFFAOYSA-N 434.543 2.316 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCNC(=O)C1CCC1 1615095232 OMNZIDHTBPKPRB-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CO[C@@H](CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1618958962 NBDFYFWQSNSWGG-SJORKVTESA-N 435.454 2.484 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1620002158 OLXOTUMBKWIAST-HTAPYJJXSA-N 428.537 2.188 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCC2(F)F)CCO1 1620354416 DPQIMQBWAALXJM-LSDHHAIUSA-N 431.447 2.480 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(OCC(F)(F)F)c2)s1 1624672777 LXZNUYUHJQLWDN-UHFFFAOYSA-N 449.476 2.407 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc3ncnc(O)c23)cc1 1626004516 SBWZOCRZGQIOEP-JJIBRWJFSA-N 425.470 2.401 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc([C@H](O)c2ccccn2)ccc1C)c1cc[nH]n1 1626180130 ZUPZZYMOUWWXQK-NRFANRHFSA-N 437.456 2.117 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1632556974 UDRBNHBCNCOFBK-FQEVSTJZSA-N 448.608 2.228 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1632769068 LMYLMTQOVFATDX-IPELMVKDSA-N 444.532 2.034 30 10 IEEE C#CCN(CC(=O)N[C@@H](CC(=O)OC)c1ccc(OC)cc1OC)C(=O)OC(C)(C)C 1636325666 NCZKGNGBWCASNS-KRWDZBQOSA-N 434.489 2.295 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)C2=O)cc1 1639973615 GQAALNJNYBBYFO-RXVVDRJESA-N 434.471 2.358 30 10 IEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)nn1-c1cccc(C#N)c1 1643926850 NZZXDSTWCXFNRR-HKUYNNGSSA-N 425.489 2.153 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC1(C#N)CCCC1 1644335448 QWSBFISPPPHOGS-IBGZPJMESA-N 435.546 2.351 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)C3(C(=O)OCC)CCOCC3)ccc2c1=O 1648074219 FDVZLFDFBAHQAM-CQSZACIVSA-N 445.541 2.349 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 1650951964 XAPXPBVBKJHSEY-UHFFFAOYSA-N 442.493 2.207 30 10 IEEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1658029466 VSGWPRFGBYYALH-HNNXBMFYSA-N 426.539 2.181 30 10 IEEE CCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCN(CC(F)(F)F)C1 1659612259 MPKQXTIYKRXKGS-IRXDYDNUSA-N 443.539 2.415 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C[C@@H](O)CC3(C#N)CCOCC3)C2)cn1 1659839972 IZWZRJIABXOUFX-GGPKGHCWSA-N 432.565 2.239 30 10 IEEE C=CCN(C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1)[C@@H]1CCS(=O)(=O)C1 1662311611 ZQCBOLWMCQCAIB-MRXNPFEDSA-N 444.513 2.441 30 10 IEEE COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCS(=O)(=O)C1 1668482377 GGYWVWIEIMULPG-QGZVFWFLSA-N 430.486 2.413 30 10 IEEE C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(I)c(C(=O)OC)c2)C1 1671500741 ADJQPVFKZUWSTO-LLVKDONJSA-N 433.267 2.112 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1cc[nH]n1 1689837447 GNVBLJYRFKWFOH-LLVKDONJSA-N 448.350 2.380 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CCOC)CC1 1689910553 JPRXRSFBPUCCAK-UHFFFAOYSA-N 444.967 2.043 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1689964572 RNNSDDRYIGTQGN-ZWKOTPCHSA-N 433.553 2.002 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1690045075 FZYPMPSTBHZQAQ-IBGZPJMESA-N 440.617 2.054 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1690163834 SGADYAKVTJSUMC-UHFFFAOYSA-N 443.573 2.434 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1690310257 YMIKDLUBVZAYSP-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1690597561 XKICEROYNODATI-QFBILLFUSA-N 441.623 2.075 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690665419 CMSRBNAKMPKDMM-AYOQOUSVSA-N 441.532 2.126 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1693355112 NMUFJEIIXPGXEW-HNAYVOBHSA-N 434.591 2.199 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)COC)c2ccccc2c1=O 1695899140 FUYPTJNFRZSUOI-NYHFZMIOSA-N 439.495 2.399 30 10 IEEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1697779972 ZHTPUOKRYQWMHL-RBUKOAKNSA-N 425.468 2.113 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1698058274 DJGZUFBTCAIIHV-MOPGFXCFSA-N 431.585 2.001 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCCCCC1 1698136467 XMJFDUPQYNMTPJ-DYESRHJHSA-N 436.532 2.237 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1705618239 YSAZCKBXFRZJEO-UHFFFAOYSA-N 443.573 2.321 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN(C)C(C)C)CC1 1705648886 BRIMOJVWPXFCBJ-UHFFFAOYSA-N 426.540 2.390 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](CC)OC)CC1 1705650979 FNKSSWIKYKIAIY-GOSISDBHSA-N 443.523 2.387 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1705901190 DHGANGFBQIBHFA-UHFFFAOYSA-N 442.951 2.464 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1705946385 GSGAWRURCZPPRF-YJBOKZPZSA-N 429.546 2.425 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1706068278 HLXDONLLTQJUAJ-SJORKVTESA-N 446.577 2.218 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)[C@@H]1CC 1709009429 HYMUBZXWTRKXFP-NRFANRHFSA-N 446.559 2.438 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CCC(C#N)CC1 1710892897 LQNOZJWDFYDBRP-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE CN(Cc1cnccn1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1711110033 KSKOOYJFTSKWAY-UHFFFAOYSA-N 434.485 2.209 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCCCC2)CCO1 1712884112 GSWGFXYQIDKOIJ-LJQANCHMSA-N 426.496 2.139 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NCCC 1722375426 CLNQCPXTVBBVTR-UHFFFAOYSA-N 431.338 2.035 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C 1722398333 ZUWICRIFRKMGBW-RTWAWAEBSA-N 439.585 2.478 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1722402014 GOWUPTCSQANUJZ-INIZCTEOSA-N 442.545 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2cccs2)N(C)C)CC1 1722450333 DPJUUWFAYMEKSA-GOSISDBHSA-N 444.605 2.145 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1722539052 FCTKZLWYPBTHQS-QGZVFWFLSA-N 431.500 2.306 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1722678231 XUYGGVRLYKDTSG-QFIPXVFZSA-N 444.605 2.187 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](OC)C(C)C)C1 1722717359 JJGCRCFDQFMDAA-VQTJNVASSA-N 438.536 2.373 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1722867754 HVRDFOMIQJJQJA-APWZRJJASA-N 427.505 2.318 30 10 IEEE C[C@]1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1724042569 BMWLNAPGVQDPCO-LPHOPBHVSA-N 448.321 2.242 30 10 IEEE COCC[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730657835 QTZIZGCHBROVGL-QQMHEVNUSA-N 428.537 2.325 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCN1CCN(CC)CC1 1740603251 LHIAMTSKXJFQCT-UHFFFAOYSA-N 425.537 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS1 1740629931 BMYRZEIJZVPCGS-GOSISDBHSA-N 443.598 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC1(O)CCOCC1 1740645686 QSIPLQADSKDHKM-UHFFFAOYSA-N 426.542 2.193 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740655236 BZZHEMRFUBOMML-ZWKOTPCHSA-N 439.482 2.246 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)C2CC2)CC1 1740703757 DDHJIBZHIPSHGQ-DEOSSOPVSA-N 437.544 2.081 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)F 1740914175 ARCNURWEWQGNNA-UHFFFAOYSA-N 438.442 2.181 30 10 IEEE Cc1nc(CCn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1742607582 VRUUQCOGAHEGLB-RTWAWAEBSA-N 428.541 2.118 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccco1 1747433052 KHIPXIZMNPUJFH-UHFFFAOYSA-N 428.518 2.376 30 10 IEEE COc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1748941691 DPNPXDRKLIRNBL-HRAATJIYSA-N 446.577 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)C(C)(C)C 1749482898 QLGOSFZIUUFSQB-GDLZYMKVSA-N 438.623 2.408 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749677645 GSHNTBBXQMWSOP-PMACEKPBSA-N 438.576 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Cl)ccn1 1749731697 IQDAGPAMVSQZKD-OAHLLOKOSA-N 439.969 2.458 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1750104077 DFANTZQIPIIASN-QHCPKHFHSA-N 441.532 2.254 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(N2CCOCC2)CC1 1760101390 OORLUZCQOFJMFY-OAHLLOKOSA-N 447.381 2.369 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760121979 FXMYLNGNCVWRPZ-SIUCFOQUSA-N 434.500 2.150 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1760181887 CZPVXSCVRJBLJJ-HXUWFJFHSA-N 438.557 2.262 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1760201927 NOEAAKFDSRJFSM-UHFFFAOYSA-N 426.484 2.065 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCN(C)C1 1760213464 CXNURWYDUBNVFR-LJQANCHMSA-N 448.390 2.299 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)COC2 1760242863 QRXFLLAJTJVMIM-UHFFFAOYSA-N 432.484 2.090 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1760255579 KZSARTQNZRXFGQ-UHFFFAOYSA-N 426.528 2.081 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760278132 ZAUJBVUGRXRKJO-QGZVFWFLSA-N 441.557 2.140 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](F)COC 1760294574 AOFUUUFECRDCBD-PGRDOPGGSA-N 427.528 2.429 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760372271 CXBOTDLLXUVPRJ-QZTJIDSGSA-N 430.988 2.482 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1760533345 QAJVDZHFKANVRB-UHFFFAOYSA-N 427.549 2.385 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1760550696 GLSZWMYQSSTKGA-IRXDYDNUSA-N 439.582 2.023 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1NC(=O)NC1=O 1760690564 OOFSVBMTEQLKOX-ABAIWWIYSA-N 433.875 2.322 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760867546 YIUPEIGGBIMIHT-PGRDOPGGSA-N 426.521 2.462 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1761546738 GOQPLJBZQCFOJJ-ZWKOTPCHSA-N 440.523 2.395 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCn2cc([C@@H]3CCOC3)cn2)n1 1762415290 XIVIVGRPUBTMLV-VQIMIIECSA-N 437.552 2.136 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCSCCCO 1768634252 NMPSFXPFCKVFFN-UHFFFAOYSA-N 428.562 2.138 30 10 IEEE COCCOCCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1770146458 FBDIJDJCFBXZOS-UHFFFAOYSA-N 425.537 2.192 30 10 IEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCC1 1771409186 ATWPXMBGFVMCJY-UHFFFAOYSA-N 440.573 2.397 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCOCCCO)cc1 1771532134 QBVAUUSDSSWAKM-FQEVSTJZSA-N 425.533 2.347 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@H]2CCCN2CCCO)cc1 1771533863 BRNCJIAOJKHRFE-LJQANCHMSA-N 442.589 2.129 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772791962 IBNJJMWPQCMNFZ-UHFFFAOYSA-N 441.444 2.218 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)CC1 1850444219 QJALENBSJFTIKD-KRWDZBQOSA-N 444.482 2.318 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cc2cn3ccsc3n2)cc1 1851228758 DYWLWFOGHYBFKV-LJQANCHMSA-N 426.498 2.133 30 10 IEEE COc1ccc(C#CCOCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1852161574 XSFDPOYSFJNONW-UHFFFAOYSA-N 432.517 2.209 30 10 IEEE Cc1cc(C)cc(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1 1852374353 SQQMRCGLTPIVAM-MRXNPFEDSA-N 439.541 2.484 30 10 IEEE CC(=O)N1CCN(C(=O)c2ccc(OCCNC(=O)Nc3ccc(C#N)cc3)cc2)CC1 1852970938 ZAXTUPYKJNCQJJ-UHFFFAOYSA-N 435.484 2.063 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C1=O 1857150838 QOPCHYRUTQXJDC-QGZVFWFLSA-N 445.310 2.217 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(OC)cc1OC 1874501189 VHPBPIRDJJSFRI-LSHDLFTRSA-N 445.501 2.325 30 10 IEEE C#CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1ncnc(I)c1N 1986513347 NQBIWQOGOUDMSE-JTQLQIEISA-N 432.262 2.349 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010225183 NDJCHCBEROYRLE-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2224072089 GLGOXPNEPVFNFJ-WBVHZDCISA-N 433.358 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224103837 XURPRECJGGLFDG-RDJZCZTQSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N[C@@H](CS)C(=O)O 2229109207 GTPGCIMOUQRFQP-OLZOCXBDSA-N 447.351 2.384 30 10 IEEE CC(C)(CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243418225 XPKRKEZYBVEWAD-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247904458 BDYIBIFKHDKNPN-INIZCTEOSA-N 432.351 2.092 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247906442 NIYQTRMTZSODCO-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE C[C@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2248416221 OUPFXGVJJDZSTR-STQMWFEESA-N 437.371 2.456 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255639854 QWQVHYNXDAERGM-STQMWFEESA-N 449.382 2.380 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255816131 ZNXFPHBGFSFUPN-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)co2)OC1(C)C 2258234739 DJELGWOKUJABLV-ZDUSSCGKSA-N 430.232 2.252 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)cc2F)OC1(C)C 2266986501 LKIXGDWFALRPFG-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE Cc1cc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267107637 BDBYYEUWDIZTJS-KRWDZBQOSA-N 448.369 2.218 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267147362 UIKVHRMMFNCBRT-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267189740 FEBZIXUVVSAYNA-LSDHHAIUSA-N 446.357 2.036 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267522134 SPPMCQZUQWOCLA-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267525465 DUZCVBSJSBTHHM-CAJLXGCNSA-N 446.357 2.228 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)n1 2267525642 HRMPFXBIFCQFEL-HOCLYGCPSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267587249 VGKVSYWZRUTQKV-YXJHDRRASA-N 443.353 2.366 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2267600254 COGNLVUSRSQCMI-HXUWFJFHSA-N 434.349 2.174 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)COC1 2268710608 JHMALUARBBSOCF-UHFFFAOYSA-N 444.337 2.169 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282512456 ILQSYSOWCPINQH-FGZHOGPDSA-N 449.360 2.106 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(=C(C)NC[C@@H](C)O)C(=O)C[C@H]1C)C2=O 2297679921 LVDSCEZGTJWIFB-QDXVKYEASA-N 437.876 2.094 30 10 IEEE COCCn1cc(C#C[C@@H](O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cn1 2302057662 AZVVZGHQCORPLQ-NHCUHLMSSA-N 429.517 2.352 30 10 IEEE COc1nc(OC[C@H](CNC(=O)OC(C)(C)C)OC)ccc1B1OC(C)(C)C(C)(C)O1 2317545929 QWYZCOLLLBOTQS-AWEZNQCLSA-N 438.330 2.308 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3cccn3C)CC2=O)cc1 2325882631 VZUWLRLCCYIRNQ-HNNXBMFYSA-N 440.529 2.112 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccnc2)cc1OC 2325890295 ROAIVSSSIVBLQJ-UHFFFAOYSA-N 440.529 2.325 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc3c(c2)OCCO3)CC1=O 2329045104 AEZNEDASFXTOPZ-MRXNPFEDSA-N 445.545 2.130 30 10 IEEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)c(OC)c1 2329898736 MVGJMSICGLEKEY-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1)Nc1ccc([N+](=O)[O-])cc1 58994271 YWOWUPPSAQMCQE-QGMBQPNBSA-N 429.418 2.301 30 10 IEEE COc1cc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 103091147 HYCZGOVZKMNNBH-LYHOESIGSA-N 430.457 2.289 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@@H]1CCS(C)(=O)=O 428854075 BARREQPIBCNNAL-GOSISDBHSA-N 438.594 2.241 30 10 IEEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 430936374 UQKHISUWEQRLDK-FOWVLEKCSA-N 426.517 2.027 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 446489581 ALSKTLSCYCZLIM-UHFFFAOYSA-N 429.458 2.313 30 10 IEEE N#Cc1ccc(OCCNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1 460260049 HKUOJGPTVJECAV-UHFFFAOYSA-N 437.315 2.431 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 465760160 WJJAFJOEMHPREZ-UHFFFAOYSA-N 430.530 2.465 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC1 468812451 DPPGZAONTDBNPU-UHFFFAOYSA-N 432.329 2.150 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 481515353 FEXXMXHJSYLBLI-KDOFPFPSSA-N 427.482 2.317 30 10 IEEE CC(C)[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nnc2ccccn12 486498194 MOZSFTPUBPLKPT-ICSRJNTNSA-N 431.500 2.398 30 10 IEEE C[C@H]1C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO 504665038 GGXMRPUKBWXVHE-SOMQYAAXSA-N 444.902 2.410 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C[C@H]2CCCCN2C)CC1 523854350 GNCYVCWUHIWWDW-LEWJYISDSA-N 427.593 2.432 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)c1 536130694 RIBLKEIEPOOKFR-FQEVSTJZSA-N 445.585 2.406 30 10 IEEE Cn1ccnc(N2CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC2)c1=O 537009140 FLLCKKMWYPEWMG-UHFFFAOYSA-N 428.496 2.351 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)ccc2C)c1=O 540869671 DOBDNBBLWCTGSY-UHFFFAOYSA-N 442.512 2.183 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)ccc21 544732109 ZVEDDJZKHJJHQK-OAQYLSRUSA-N 445.523 2.161 30 10 IEEE COC(=O)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)Oc1ccc(Br)cc1 551225481 MEHZOTBKUFIFBY-HNNXBMFYSA-N 445.335 2.373 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 553277144 AZNMIHCXAZCQDQ-QUCCMNQESA-N 430.524 2.198 30 10 IEEE C[C@H]1CN(Cc2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)C[C@@H](C)O1 570490660 VABHFIPICMHGDN-CALCHBBNSA-N 442.541 2.084 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 576905989 CCJWRRKNAXVZAI-KRWDZBQOSA-N 426.429 2.339 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(C)cc1 580418193 NHEVNBUXQIJFPO-IBGZPJMESA-N 449.577 2.011 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Br)ccc2OCC)CC1 605415304 AOLLIRCYUAJOAB-UHFFFAOYSA-N 425.327 2.300 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)n1 610029004 OPLQWLYDKAMORD-UHFFFAOYSA-N 446.467 2.325 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 615442503 VOOWQUQPWDRHKS-UHFFFAOYSA-N 427.408 2.348 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 616429516 MLBXQBAKWKCYOQ-SFHVURJKSA-N 437.518 2.433 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 619840942 VWFBXTQERJKLNF-IBGZPJMESA-N 426.521 2.260 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1ccco1 735068712 DTSLAGCULBRPTL-KRWDZBQOSA-N 431.514 2.479 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 741732382 RVTMWFBEAGRKNX-GASCZTMLSA-N 436.472 2.335 30 10 IEEE C[C@H]1Cc2cc(C(=O)COC(=O)[C@@H](C)Oc3ccccc3C#N)ccc2N1S(C)(=O)=O 748881522 WAWWKALABKAQMO-LSDHHAIUSA-N 442.493 2.462 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 753821594 ZAUGPTIUWROEPZ-QFIPXVFZSA-N 448.970 2.290 30 10 IEEE CO[C@@H](CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 757470230 DTRPNWSVCTWMOF-MRXNPFEDSA-N 436.464 2.134 30 10 IEEE C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)no2)C1=O 762311945 PRCOOZLQZHNHGD-UHFFFAOYSA-N 441.444 2.238 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 763769757 KMRMPXJDWLJYLX-PKOBYXMFSA-N 432.498 2.322 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)O[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 770380792 IBZQFPNEJRMYOG-BQASMSSTSA-N 437.374 2.270 30 10 IEEE C#CCN(C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 774248910 BYKGEBRWBTYTHN-TZMCWYRMSA-N 431.327 2.351 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)c12 778066484 AJLMAQFGWRDEMF-AWEZNQCLSA-N 440.525 2.353 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(C(C)(C)C)nc1Br 779983082 JOYUUSURIDNMRI-GFCCVEGCSA-N 432.326 2.413 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)NS(=O)(=O)c1cc(Br)c(OC)cc1OC 786437866 DGWAUNXEKTXJCW-MEBBXXQBSA-N 434.308 2.252 30 10 IEEE COCCOc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=N[C@@H](C)COC)cc1 789968136 KAOUFZYUJXAHOG-HNNXBMFYSA-N 430.534 2.188 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)c1 791280351 QHFORJAITCAEHM-UHFFFAOYSA-N 447.488 2.201 30 10 IEEE COC(=O)c1cc(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)c(F)cc1Cl 794050907 KFTMCYNVAWFVTO-UHFFFAOYSA-N 442.856 2.486 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccnc(C#N)c1 795969224 IIZMQVLNTUKXSP-UHFFFAOYSA-N 442.497 2.232 30 10 IEEE CN1C(=C2C(=N)N([C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2=O)N(C)c2ccccc21 800793980 UBMRNZNZZOQVHI-QGZVFWFLSA-N 445.523 2.326 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cc(C#N)ccn1 803850282 FOJRBCKITCXJGH-UHFFFAOYSA-N 442.497 2.232 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161479 HYHVLVMXNJFCKK-YOEHRIQHSA-N 432.496 2.465 30 10 IEEE NS(=O)(=O)c1ccc(C=NNC(=S)NCc2ccccc2)cc1Br 807947167 JVHWUZABCWXGQY-UHFFFAOYSA-N 427.349 2.095 30 10 IEEE COC(=O)[C@H]1C[C@@H](OC(=O)c2ccn(-c3cccc(C#N)c3)n2)CN1C(=O)OC(C)(C)C 813902114 UQGQRKYICIMJGF-SJLPKXTDSA-N 440.456 2.452 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(OC)c1 856536897 IGDDJUNJVPRJHC-HBMCJLEFSA-N 425.529 2.014 30 10 IEEE CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916774966 IETBIKROXOKEKL-GOSISDBHSA-N 431.539 2.056 30 10 IEEE N#Cc1ccccc1N=c1scc(-c2ccc(O)c(C(N)=O)c2)n1CC(=O)NC1CC1 917645998 VNXNWTHKFATMIJ-UHFFFAOYSA-N 433.493 2.404 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2cc(Br)ccc21 919828090 FLVOMBXZOUUWPW-OAHLLOKOSA-N 434.315 2.291 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)c2)C[C@@H](C)O1 1132643469 QVJRSXJOAOEVDK-MRUHUIDDSA-N 439.537 2.253 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1136151358 BVARIUHTAFESHD-IZZDOVSWSA-N 442.512 2.430 30 10 IEEE C#CCN(C(=O)C1=C(C)N(C)c2nnnn2C1)[C@H]1CCOc2ccc(Br)cc21 1146862230 QNCHQFVUBYUQNO-INIZCTEOSA-N 443.305 2.145 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNc1nccc(Oc2cccc(C#N)c2)n1 1164102914 IGALDWGIYCZOQG-UHFFFAOYSA-N 430.468 2.327 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)C(=O)OC 1189692174 GLZGQYRLWAVYTC-ZDUSSCGKSA-N 426.716 2.266 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 1193772816 LGXPWBGDBIHNRJ-OAQYLSRUSA-N 444.551 2.197 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 1213832056 UPMYECFKNGOQTR-NRFANRHFSA-N 433.574 2.147 30 10 IEEE C#CCN(C(=O)NCc1nc(-c2ccncc2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1230186803 POMZGZVDHVSHCY-UHFFFAOYSA-N 439.520 2.411 30 10 IEEE CN1C[C@@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)CC1=O 1267515848 UONUDDMFOHLWCF-CABCVRRESA-N 440.422 2.464 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC[C@H]2CO)CC1 1286476268 SFHMUOWMLJFGHT-QFIPXVFZSA-N 436.604 2.246 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccnc(OC(F)F)c2)CC1 1286481312 CVPYTRILNYJZNB-UHFFFAOYSA-N 439.470 2.064 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286481964 LEVSKZJIUSDCST-DEOSSOPVSA-N 434.519 2.066 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286541345 HXBUHCUBCRNCEW-SJORKVTESA-N 440.386 2.382 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286601599 WNUSNDSHRWOYJB-QLFBSQMISA-N 435.541 2.209 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1286727667 WTKCELXVUDTRRD-LJQANCHMSA-N 449.552 2.298 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286792004 JRMKXHUHNOHIAE-UXHICEINSA-N 436.516 2.179 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1286823934 RWUKEPNQUYUVDS-RDJZCZTQSA-N 443.639 2.060 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2ccc(COC)o2)ccc1F 1289111108 STHMUGIQQNBTAU-QGZVFWFLSA-N 438.477 2.243 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1c(O)ccc(Br)c1C)c1cc[nH]n1 1298513089 GFQHCCTYNGQNFT-UHFFFAOYSA-N 425.239 2.109 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300522867 OPKSBJCNMOKBIY-RTBURBONSA-N 435.528 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCOCC1 1300596163 UVBTWZDAGKVMDJ-NHCUHLMSSA-N 427.593 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C(C)C)C(C)C)CC1 1300719650 KJYIOOLILXYHML-UHFFFAOYSA-N 425.581 2.358 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1300732905 FNQDUCCIXHNFJP-DOTOQJQBSA-N 426.546 2.296 30 10 IEEE C=CCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1301237410 RILAIWOMEZLHAC-QHCPKHFHSA-N 437.548 2.490 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCc1nc(C)no1 1302284862 RYJYHMACVWLWKN-HKUYNNGSSA-N 429.525 2.456 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 1307968000 RGZJVWSOSUIVRZ-LZKLMHIUSA-N 437.581 2.365 30 10 IEEE Cn1ccn2c(CN3C[C@H]4[C@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nnc2c1=O 1308125315 UOGMYQQHWUFWTL-YUMQZZPRSA-N 431.287 2.031 30 10 IEEE CNC(=O)c1cccc(CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)c1 1314977885 QLYLRHBCLHCPQH-IBGZPJMESA-N 436.541 2.261 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3CC#N)CC2)cc1 1351450734 KJZIQZOSZWZMTJ-UHFFFAOYSA-N 447.538 2.138 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358936735 WLCKVROSFPWXAM-LAUBAEHRSA-N 430.509 2.001 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OCCC)c1 1358978608 QIWHQEUFUBOGKU-HXUWFJFHSA-N 440.569 2.285 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359033230 UOYCXQZUUXARIQ-OYRHEFFESA-N 447.587 2.071 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359057618 DUPNJILLJSLQBA-QUCCMNQESA-N 446.665 2.222 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1359107252 HNGRCLREYVNQCT-HNNXBMFYSA-N 444.602 2.158 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1359257910 AGKULGNYPVZLSQ-KPRXVCGWSA-N 425.533 2.352 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1359301835 MTZUCVBKDYQUKK-UHFFFAOYSA-N 435.532 2.120 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCC2=O)CC1 1359301945 QPYUNWLCGGURIO-UHFFFAOYSA-N 436.560 2.071 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](CC)C1 1359302940 YSVUOTGEROVDGK-KRWDZBQOSA-N 425.562 2.151 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1359477179 SOQHRLTUBNZPID-UKRRQHHQSA-N 447.337 2.494 30 10 IEEE C#CCN(C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1360055293 QJRNRCYHTWQKGR-LJQANCHMSA-N 438.484 2.336 30 10 IEEE CCc1ccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1450544537 OGZAKKZKWCIIRF-NRFANRHFSA-N 427.526 2.389 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)C(=O)OC 1467515053 CNRGTYYRGDKVAL-GDBMZVCRSA-N 428.432 2.391 30 10 IEEE C#CC[C@H](NC(=O)c1cc(Br)ccc1I)C(=O)OC 1468875217 JIHLDVUWTOYUHX-NSHDSACASA-N 436.043 2.348 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c3ccc(F)cc3)CC1)C2 1471142148 AEWMSUZIVRFIEL-FQEVSTJZSA-N 442.516 2.317 30 10 IEEE CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)COc1ccc(C#N)c(Br)c1 1471799447 LZRUBUGJHGTPCB-CQSZACIVSA-N 448.277 2.358 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1503949088 DSOSVZQMIQHEKQ-QXAKKESOSA-N 431.562 2.176 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1504670988 QLNXTMXNIPBCOC-GOSISDBHSA-N 446.577 2.009 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1507582157 CUUBNATZBGITTE-QGZVFWFLSA-N 433.516 2.360 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507622334 HRQKIEUSBQCWJN-KBPBESRZSA-N 438.504 2.194 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)NC 1507771676 GRBYYRIBEOBPOA-HXUWFJFHSA-N 433.603 2.420 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1507852544 BCVCWLFFUBHNMH-KGLIPLIRSA-N 425.942 2.428 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1507991703 SRFOQEJNIVUYSQ-INIZCTEOSA-N 430.534 2.048 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)OC)C1 1508105187 MEAFSKSXUQPAGX-GOSISDBHSA-N 439.516 2.127 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1508414064 XVGRYTJJBNRIQJ-ZIAGYGMSSA-N 448.549 2.040 30 10 IEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)c1ccc(F)cc1 1517807376 BHSGPHJFAMWSGQ-JKIFEVAISA-N 438.529 2.011 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC[C@@H]1C 1518611914 NBWPUIACUJDPDQ-YJBOKZPZSA-N 429.546 2.255 30 10 IEEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1529340813 HWLSBPNRBGNSRL-UHFFFAOYSA-N 438.550 2.302 30 10 IEEE CSC[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1531717639 FIJVMQOQUROCKD-SLFFLAALSA-N 440.569 2.114 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)cc1 1533173654 BXGUIPJFUFMGQU-UHFFFAOYSA-N 444.495 2.454 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(Sc4ccccc4Cl)nn3)C[C@H]1CS(=O)(=O)C2 1538308398 DFQLOKZJLTWKQB-SGTLLEGYSA-N 434.930 2.292 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1539065234 CTQIVRHFWOGDBU-DLBZAZTESA-N 439.516 2.104 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539215986 MMRWADPXYWZOKF-QGZVFWFLSA-N 431.562 2.249 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2(C)COC2)n1 1539424534 SDMBCJRZMFUWGS-IBGZPJMESA-N 428.537 2.039 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1539436645 XYHZKXILJRTNNS-QUCCMNQESA-N 439.560 2.390 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1539626224 BVOHMBPSUXSTGL-AZUAARDMSA-N 427.553 2.012 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1539627320 IXCFBHDLKPIHJQ-AOIWGVFYSA-N 433.553 2.046 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1539809852 AUSFSTOUYLVJAJ-UHFFFAOYSA-N 426.908 2.286 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CSC[C@@H]3C(=O)NCC3CC3)C2)C1 1540577677 CPOOWKAIHFERLD-QNOZYLDQSA-N 448.589 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540902232 DLOXZGJZXCXKNN-UHFFFAOYSA-N 439.582 2.061 30 10 IEEE C#CCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 1541028655 NYRNRPSAQHFONJ-OAQYLSRUSA-N 442.537 2.476 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1541623719 CTLPJUXFPRTTME-FQEVSTJZSA-N 437.592 2.458 30 10 IEEE Cc1ccc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1542729991 ZSDNGPNMKTXIHI-UHFFFAOYSA-N 444.362 2.013 30 10 IEEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1545000635 NOLHFWYRNKCHOJ-DNTCVELPSA-N 442.545 2.072 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C1 1555710067 IAIIYOZLAVUYQC-WMZHIEFXSA-N 441.532 2.112 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCOc2ccc(F)cc2)CCO1 1555991993 CMXIUIWBSXJNDL-IBGZPJMESA-N 442.495 2.241 30 10 IEEE CN(C)CCn1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)ccc1=O 1558961365 ZIYNHMLXTYPNBY-UHFFFAOYSA-N 444.333 2.119 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 1583812339 WHRIBNHWTWZDCQ-LJQANCHMSA-N 433.443 2.223 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccc(C#N)c1 1585726040 OAFNIYGXLRSOLI-RDJZCZTQSA-N 439.434 2.481 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587842730 UYVBAMBSHSIMDO-OAQYLSRUSA-N 448.552 2.171 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588210294 HNPIUOUZCOBKOS-LJQANCHMSA-N 443.559 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCOc2cccc(OC)c2)CC1 1588947375 PPUDEKUHTFMOSL-UHFFFAOYSA-N 425.533 2.284 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1594168396 MALVRXGQGODSHS-UHFFFAOYSA-N 448.568 2.112 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1595094823 YYSMXKCKCMTQPA-WIYYLYMNSA-N 449.559 2.014 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCc1n[nH]c(C)n1 1595276319 ZBXRBTAGIPATTB-UHFFFAOYSA-N 449.357 2.354 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1595747713 MNFVMSOGFZBHCJ-FQEVSTJZSA-N 442.497 2.321 30 10 IEEE CCOc1cc(NC2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)ncn1 1611166217 SCBIQWGDCPYKQW-UHFFFAOYSA-N 447.492 2.028 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)Cc2cc(C#N)cs2)C1=O 1617857751 QKSZSZFTGFRWTL-OAQYLSRUSA-N 426.498 2.362 30 10 IEEE COc1ccc([C@@H](C)CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1619154112 AKQJFABOQHOPJU-FXAWDEMLSA-N 438.532 2.332 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(C)(=O)=O)cc1 1619318299 HCHXFZYJIKAODV-HXUWFJFHSA-N 433.534 2.040 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1619537836 PMSGJHHTBBKZSS-RBUKOAKNSA-N 425.537 2.046 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](OC)c1ccc(F)cc1 1620110955 GXCFTDKWXCFYFL-RNQOJCNYSA-N 445.495 2.258 30 10 IEEE N#CC1(CS(=O)(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)CC1 1622210870 CIXJWSFKKJDZSC-UHFFFAOYSA-N 436.335 2.081 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 1629002809 SRWVZWYGQOGGLI-UHFFFAOYSA-N 440.500 2.343 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)CC1 1630039550 YFOUWGILDHSHRZ-WMZOPIPTSA-N 434.558 2.153 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1630560910 QBTGUFWJWNSBTG-SFHVURJKSA-N 436.597 2.036 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 1632283788 VXTAGKILLMROJD-UHFFFAOYSA-N 428.558 2.188 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)CC1 1632960891 PNIQXACJBNGXGE-UHFFFAOYSA-N 448.372 2.010 30 10 IEEE Cn1ccnc1COCC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1633105121 VMHPHIQOLXZLSM-KRWDZBQOSA-N 432.322 2.108 30 10 IEEE CC1(C#N)CN(C(=O)[C@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1635517324 ATWYFEYXHIFGAA-FQEVSTJZSA-N 432.480 2.141 30 10 IEEE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)cc1 1636354521 ZLIJRQVBPKQNQC-MSOLQXFVSA-N 435.532 2.103 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1640895950 GGLURGQNSBEHHA-PMPSAXMXSA-N 431.352 2.212 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)[C@@H]3COCC34OCCO4)n[nH]2)c1C 1642464857 BLADCZOEESJBGH-SFHVURJKSA-N 429.521 2.222 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc21 1643808460 CGWYSUBNCJNWMS-UHFFFAOYSA-N 436.491 2.277 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C[C@H](C)O1 1654936192 GUDDNNTWTGKKRA-KKSFZXQISA-N 436.512 2.429 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(C)Cc3cc(C#N)cs3)CC2)cc1 1656279941 PVFJBWOFWHRVLD-KRWDZBQOSA-N 446.598 2.282 30 10 IEEE N#Cc1cccc(C2(NCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CCOCC2)c1 1659474978 FGVHSFNTJXPXSN-UHFFFAOYSA-N 428.439 2.187 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)c1 1661414212 OTELOCGOPHOMFO-SFTDATJTSA-N 445.493 2.443 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1670758789 AXKYSGZXTPXDGS-UHFFFAOYSA-N 433.555 2.218 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 1679813911 KRXCKKGOUBICTO-SFHVURJKSA-N 426.542 2.209 30 10 IEEE Cc1ccc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cc1 1681226363 GAZWFRLHAZJXRN-AEFFLSMTSA-N 427.505 2.112 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCN4CCSC[C@@H]34)CC2)c1 1687597109 XNWAIKJACXAZTG-UXHICEINSA-N 427.574 2.498 30 10 IEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1689976725 VVPPEZSCUWTDFJ-UHFFFAOYSA-N 427.452 2.327 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689980399 QYMZRMVXRKQYKA-UYAOXDASSA-N 441.601 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CN(CC(C)C)CCO1 1690009957 PTXSVJCMOXPCGH-OAQYLSRUSA-N 449.555 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCn1cc(Br)cn1 1690022709 OXSHRQHLSKJAHV-UHFFFAOYSA-N 438.333 2.386 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCOc2ccc(C)cc2)CC1 1690110731 XPPSNEFPYMIWOV-UHFFFAOYSA-N 438.576 2.339 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC=CCC2)CC1 1690137876 KTAGESVEPPFJAH-YADARESESA-N 441.576 2.252 30 10 IEEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690185318 XHBWIKTXVASBOF-GOSISDBHSA-N 445.614 2.196 30 10 IEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690228895 HZZCVMHJWGRULA-ZDUSSCGKSA-N 439.358 2.248 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690507351 KIHPKYVUOQUISS-QGZVFWFLSA-N 445.593 2.222 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690670705 HJOAMPQDVUARMB-OAQYLSRUSA-N 438.576 2.105 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(C)c1C 1690672391 QMEVFTHHUNWSQP-UHFFFAOYSA-N 429.475 2.128 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690674012 LVGKMPPGUZAZJB-SFHVURJKSA-N 449.559 2.005 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 1690678216 OVWWFFPLDXPQBO-IEBWSBKVSA-N 432.613 2.419 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(N)=O)CC1 1690715522 NMLAXPIWXRZPDA-IBGZPJMESA-N 445.589 2.123 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1696656513 KAZHCTMTSRZABA-OAQYLSRUSA-N 428.562 2.036 30 10 IEEE CN(CC1CCCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696746786 HFXONOIFTQNAHF-JLUOLNIDSA-N 428.537 2.325 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)C1 1696949101 VEQLKCCJMXOLGK-QGZVFWFLSA-N 434.500 2.375 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCO1 1698153560 ODJNXLTYMKVXGQ-YJBOKZPZSA-N 442.520 2.106 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1705503057 OFEBHXFGUULQCZ-UKRRQHHQSA-N 432.322 2.356 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705570590 RSAYFDDPDUXGHH-LJQANCHMSA-N 441.582 2.195 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1705700892 ZWTFMEDXUMZXOQ-QRVBRYPASA-N 448.593 2.014 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705834310 IDGPKOPHMRBRPM-JKSUJKDBSA-N 437.541 2.461 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705904050 CUXMHZKCFVRWSN-UHFFFAOYSA-N 433.578 2.209 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1705924350 CSCYDQMQBQDPDT-HOTGVXAUSA-N 437.953 2.058 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC)C1 1705925281 NFTOJQNCVGEWBH-IBGZPJMESA-N 427.553 2.270 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1706060406 RWJHXHBHPDNJOP-SFTDATJTSA-N 449.559 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1706163981 FKRQWLQZQMFDQM-SFHVURJKSA-N 449.519 2.212 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1712453775 ZWXTVJWSURVTGH-GCJKJVERSA-N 426.521 2.435 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(=O)Nc1ccc(F)cc1 1712454315 LQHOCRDJFQQOPL-MRXNPFEDSA-N 430.484 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(OC)CCOC1 1722279999 VUUICRIFKWMMFS-OYHNWAKOSA-N 430.505 2.234 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1722291922 SKLDCXYTHNYFHK-GJZGRUSLSA-N 443.495 2.326 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722311234 UGIWCGNSGLSIAU-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1 1722332285 HRPRFSWWGYPXEI-VQTJNVASSA-N 443.573 2.366 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCCN1CCC[C@@H]1CO 1722469269 XVABJNTUFSZDLU-AGILITTLSA-N 445.608 2.159 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722487019 IUUXKVKHYZRIAR-CYBMUJFWSA-N 446.396 2.166 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1722574217 HYCGEBRVNBKWQG-CNTRQJEFSA-N 437.610 2.232 30 10 IEEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)N2CCOCC2)CC1 1722579395 PGQRZYMWSCMUSN-UHFFFAOYSA-N 425.533 2.427 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1722585748 IBOZBOUXUAYEAG-QFIPXVFZSA-N 435.536 2.225 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1722657403 AIVBRVOJPISPBU-DENIHFKCSA-N 446.573 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(c2cnn(CC)c2)CC1 1722728252 UIJCJHNGKOQZGG-UHFFFAOYSA-N 443.577 2.474 30 10 IEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722735601 PYFDRQQVRDZIDC-UHFFFAOYSA-N 426.590 2.265 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1727135574 CFKQLHOCSOUZGD-PMACEKPBSA-N 443.573 2.374 30 10 IEEE CNS(=O)(=O)CCn1c(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)nnc1C(C)(C)C 1729745753 FJDSYYMUYFGUGL-IBGZPJMESA-N 444.605 2.456 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCNC(=O)C1CC1 1730935590 IDGHYUOLVSLVHT-PMACEKPBSA-N 438.532 2.036 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740550905 DYGAFRHTHLZJRA-LPHOPBHVSA-N 432.546 2.460 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CCCS1 1740681390 JQXVDMNAEHXINF-OAQYLSRUSA-N 438.561 2.293 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCc2nccc(C(F)(F)F)n2)n1 1740687469 GBDQGEKRSHECSS-UHFFFAOYSA-N 448.453 2.121 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccccn2)CC1 1740689578 DYJOSWUQUWZQEI-UHFFFAOYSA-N 444.543 2.053 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C1 1740972871 NXLNRQHYEQSDCT-DENIHFKCSA-N 430.553 2.305 30 10 IEEE CCN1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CCC(C#N)CC2)CC1 1746463791 FSVIBDOTZFDYBV-UHFFFAOYSA-N 436.608 2.422 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1747412591 COMZEAYDJGSHQV-KXBFYZLASA-N 429.546 2.255 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccccc1N1CCOCC1 1748642863 QWOZJIILKJRIOL-MOPGFXCFSA-N 427.549 2.345 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCS(=O)(=O)C1 1748774963 AKTCNCPBGAATHO-LLVKDONJSA-N 429.365 2.273 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)NC 1748912856 JLRMYWCHPHJSPQ-UHFFFAOYSA-N 444.586 2.386 30 10 IEEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749430175 KAKGEQXPTHMIIM-UHFFFAOYSA-N 436.582 2.473 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CCO1 1749551877 GGDALJQPWSBABP-LJQANCHMSA-N 433.516 2.178 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749652361 MGMFFWHOLUFHDT-LEWJYISDSA-N 433.560 2.299 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749682053 NQCVOKJOGVGJBY-AWEZNQCLSA-N 448.980 2.193 30 10 IEEE COCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1749702593 PEBAZXHXZNJBPL-JOCHJYFZSA-N 443.552 2.104 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCN(C(C)C)CC2)C1 1749714722 LFOYDHZGVBLODK-NRFANRHFSA-N 440.592 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749725605 SRLKRZYJFCSCPL-CALCHBBNSA-N 440.953 2.049 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)cc1C 1751544329 HDEMWQDPNJXMNS-UHFFFAOYSA-N 438.513 2.229 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)nn(C)c1C 1760102460 KRLWIGYLKSZFMI-CQSZACIVSA-N 426.546 2.205 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(N(C)C)CCOCC2)c1 1760128458 IIZNRVHLLRDYLZ-UHFFFAOYSA-N 436.560 2.323 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)C(=O)NCC)CC1 1760267558 QUAQJHNBYRPSRZ-UHFFFAOYSA-N 436.560 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760271840 OKJQGBLWXLDTBF-OAHLLOKOSA-N 442.589 2.409 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760332750 AQAHDEVQSZIWCP-VQIMIIECSA-N 448.593 2.163 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCS(=O)(=O)CC1 1760339991 FDHXLHGCCZKRNP-ROUUACIJSA-N 426.583 2.229 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760452178 GSWOUJZGYAKUIZ-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1760525283 ACRIUMVPCQWBSS-RTWAWAEBSA-N 427.512 2.310 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)[C@H](C)C1 1760618849 PUSPLRKFZQBTCL-CBGDNZLLSA-N 438.532 2.211 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1760653703 FUTNFADJBQSIGA-IBGZPJMESA-N 449.559 2.215 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1760660765 FUNSVQROKVENEX-LJQANCHMSA-N 449.515 2.426 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1761359970 CUIYSFVELHWTCM-ICSRJNTNSA-N 432.532 2.374 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763735659 IEPDMPINTJVINJ-AUSIDOKSSA-N 439.564 2.316 30 10 IEEE CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1764811543 JVNFKIURTCRRJL-HNNXBMFYSA-N 446.558 2.160 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1765980408 DLIOZBNQAMQKSP-YADHBBJMSA-N 442.495 2.273 30 10 IEEE CN1C[C@](C)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1769055607 XNCUAAOPAVCKSB-FOIQADDNSA-N 446.964 2.431 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1772567099 MCCIYOKTBKAQRT-SFHVURJKSA-N 446.502 2.427 30 10 IEEE Cn1nncc1CN(C(=O)c1cnc(C#N)nc1)[C@@H](CCN1CCCC1)c1ccccc1 1853425917 LAPWEFWEMIIBNJ-NRFANRHFSA-N 430.516 2.346 30 10 IEEE COc1ccccc1N1CCN(C(=O)[C@@H](C)CS(=O)(=O)Nc2cccc(C#N)c2)CC1 1858110903 ACBMVTAJTGHUDU-KRWDZBQOSA-N 442.541 2.293 30 10 IEEE CC(C)c1cc(O)nc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 1859431256 QCBBKMMGSXAYST-UHFFFAOYSA-N 426.546 2.488 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1CCCN(C)C 1870504338 YMDWUXYMCRUWFZ-UHFFFAOYSA-N 445.589 2.448 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1897686432 WFDKBONJSXRGRO-HZPDHXFCSA-N 427.542 2.192 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1984913485 QNGNRZXHOBHTDX-JYJNAYRXSA-N 427.542 2.190 30 10 IEEE C=CCC1(NC(=O)[C@]2(CO)CCCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022798717 GIANRVFBIWNCPK-JOCHJYFZSA-N 439.553 2.430 30 10 IEEE C#CCN(CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2060635352 LAKFZJGLRHFSHD-UHFFFAOYSA-N 428.338 2.472 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@@]4(CN(Cc5ccccc5)CCO4)C3)nc2)OC1(C)C 2116072349 CACXVAOOHUUMCV-XMMPIXPASA-N 436.365 2.257 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523972 MRGYWXPRSKYTMO-GOSISDBHSA-N 446.353 2.238 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)[C@H](C#N)C1 2162765211 YFFGCGCNHHTWOF-SECBINFHSA-N 436.899 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2Br)[C@@H](C#N)C1 2163036443 QGWZOUXXFPDLLA-ZDUSSCGKSA-N 438.326 2.415 30 10 IEEE CC(=NO)C1CCC(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164486811 HVMAPBVYWKXGQT-WSNMIEGMSA-N 439.509 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@@H]21 2224118760 BATZDMAIKOAIBH-SJORKVTESA-N 431.342 2.205 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243416994 PHUXAVYEFCGHDK-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE CN(CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2247912898 NENHUHLAJMUMIU-UHFFFAOYSA-N 432.761 2.235 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248404385 MEORFFGUZXMKBE-LBPRGKRZSA-N 441.359 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629879 BXJQMBHSEKXNCH-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255669985 BXPISIWHUGNKCD-GOSISDBHSA-N 426.322 2.031 30 10 IEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC(=O)NCc1ccccc1 2255814889 FWBDHUBIFISKPR-UHFFFAOYSA-N 425.338 2.244 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2255872771 DDEVNEIYKQVUDH-UHFFFAOYSA-N 433.358 2.404 30 10 IEEE C[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255879635 RYAZMOAMFJHFKY-CQSZACIVSA-N 434.346 2.009 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256618943 UAJGOENARPLYAC-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE Cc1nc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256641406 ZVKOMAKJSKEKBV-CQSZACIVSA-N 432.330 2.280 30 10 IEEE COC[C@@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2256669492 QBTJFUPIDBXZJJ-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE Cc1nn(C)c(C(=O)N(CCC(=O)O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2256916335 DGCCWSAWXFBFIM-UHFFFAOYSA-N 427.310 2.145 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267089380 CWZSEBIBUMJHFD-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2267128366 XIXJBLXOBFSGHV-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267147810 XOPRNKSOOXUWIP-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503633 GRDJXXAOYPJWFE-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)n1 2267504877 ZKBMHRHIRJOVIW-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267524741 UWOZFJFBFUBJBD-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267533336 QXQKYGYBSHYBMT-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268633141 ATGNAKKCCOUHNW-YOEHRIQHSA-N 447.341 2.344 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCC3(C2)OCCO3)OC1(C)C 2282512872 WHQSLPFRMAAOIG-HNNXBMFYSA-N 443.396 2.152 30 10 IEEE Cc1cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc(C)c1C#N 2286033777 XSTBQDHZBMBXGO-SFHVURJKSA-N 431.470 2.296 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)n1C 2315631616 UPOHKULBTRBXCI-OLZOCXBDSA-N 436.362 2.059 30 10 IEEE Cn1cccc1C=Nn1c(SCCCO)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 2325923108 ZMBLLBNWLTYLLR-SFHVURJKSA-N 438.557 2.489 30 10 IEEE Cn1nccc1C#C[C@H](NN)c1cc(Br)ccc1I 2342009250 JQPSQBXBEFMDOD-ZDUSSCGKSA-N 431.075 2.343 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CCCO2)C[C@](NCCC#CBr)(C(=O)O)C1 2349189876 XAMGWWGQBYVRLQ-QZTJIDSGSA-N 431.327 2.335 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 24804053 MZGAJBNKMXERMS-ICSRJNTNSA-N 430.574 2.046 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)cc1 28665699 CCWAHVNLLTYVFW-CVEARBPZSA-N 444.509 2.029 30 10 IEEE O=C1N/C(=N/N=C2\NC(=O)[C@@H](CC(=O)c3ccc(Br)cc3)S2)CS1 39886336 YVKAOVFGIGNSJA-SNVBAGLBSA-N 427.305 2.379 30 10 IEEE COc1ccc(C)cc1N1CC(=O)C(c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)=C1N 170178908 QZYIYHHNSWJUDV-UHFFFAOYSA-N 432.528 2.348 30 10 IEEE C[C@@](N)(C#N)CCCn1cnc(I)c1I 308797367 IHMATBPMIJYYFO-VIFPVBQESA-N 430.031 2.113 30 10 IEEE Cn1c(=O)c(C(=O)CN[C@@H](CCCC#N)c2ccccc2)c(N)n(Cc2ccccc2)c1=O 433035749 YZFBMIQDKAOUAA-FQEVSTJZSA-N 445.523 2.385 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 479909737 DIBKRJDDOVOTEY-SIKLNZKXSA-N 434.544 2.329 30 10 IEEE C[C@@]1(C[C@@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)NC(=O)NC1=O 480335219 NTEOMRJZUFQSDC-XOBRGWDASA-N 441.879 2.382 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)c1 483264115 VCOFMYUKSYWPRH-SFHVURJKSA-N 448.342 2.268 30 10 IEEE CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 490506134 VQROCNPKJCLHPJ-VQTJNVASSA-N 440.997 2.341 30 10 IEEE N#C[C@@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(Br)cc1 499385453 APNKBRYTDCRBGO-QGZVFWFLSA-N 439.269 2.401 30 10 IEEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1CCOc1ccc(F)cc1 500569577 YUXOIJLYGFTUIM-UHFFFAOYSA-N 435.463 2.034 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1CCSc1ccccc1 501761651 IDTBWOOGKNIAAD-UHFFFAOYSA-N 447.585 2.484 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cc2nc[nH]c12 503721735 LXESMIXYIHVMRF-LLVKDONJSA-N 426.278 2.338 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 508960020 IEUKXUVRXUSADW-OALUTQOASA-N 431.562 2.099 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 514408912 NKQHMPMHCIXZSX-FQEVSTJZSA-N 433.984 2.106 30 10 IEEE Cn1c(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 524620715 CRCHLIYJBONTJT-GOSISDBHSA-N 432.509 2.436 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)C1 551952965 NKWZKYXFHXINQZ-AWEZNQCLSA-N 438.456 2.158 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 553682405 GDSYZUJRAYCUMX-DLBZAZTESA-N 434.496 2.244 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 570877630 BOXPDFZYGKVRGU-IBGZPJMESA-N 446.490 2.197 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CCc1cccs1 571191312 SZLIMEXZGRNTQY-QGZVFWFLSA-N 439.607 2.318 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@@H]1CC 576971521 ZBQWQUSTKUNBBC-JKSUJKDBSA-N 437.591 2.372 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C 579042631 QYRWTYIFYXMXKL-KPFFTGBYSA-N 430.516 2.437 30 10 IEEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCN(CC)CC1 581852361 BOTHDTSAGWKGFG-UHFFFAOYSA-N 430.578 2.058 30 10 IEEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 589467612 AQILJVYUBGXDSO-AZUAARDMSA-N 432.933 2.052 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1 609413555 YOKQJARNUXPUMC-UHFFFAOYSA-N 435.477 2.370 30 10 IEEE C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669815668 HIAWMIJCBPCLHA-XLIONFOSSA-N 428.606 2.495 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 679754932 GJZHGSJHNITZME-SFHVURJKSA-N 426.513 2.490 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccc(CC)cc1 735069243 QEWGQLGYLSSLRP-UHFFFAOYSA-N 449.580 2.097 30 10 IEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 747803567 XBHDHCSZCSCPRA-VXKWHMMOSA-N 446.507 2.177 30 10 IEEE C[C@@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752610882 RQLFJOJQTARREF-OAHLLOKOSA-N 429.498 2.288 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CNC(=O)NCc2ccc(Cl)cc2)CCCCC1 760401940 RBXIRRXXIBJHNN-UHFFFAOYSA-N 426.926 2.059 30 10 IEEE Cc1ccc(-c2noc(COC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)n2)cc1 767677405 RWOJCQXXXUXSOM-CQSZACIVSA-N 426.454 2.327 30 10 IEEE CC(C)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1 771537068 JIGMUCXKSOHOKY-KRWDZBQOSA-N 441.561 2.176 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)=NO1 798951775 JGXJOTXHCQIXOI-OAHLLOKOSA-N 430.461 2.374 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)/C=C\c2ccccc2F)c1 799919285 DHTZRDBJWKQQMJ-GDNBJRDFSA-N 428.485 2.473 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCCCC2(C#N)CCOCC2)C1=O 800186976 IQIYDZVUKHLTRN-JOCHJYFZSA-N 443.500 2.414 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 809893391 ORRNNFDFVJRGOU-PNLZDCPESA-N 449.552 2.157 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 884884744 JWOZWUYIRKTQCT-UHFFFAOYSA-N 426.472 2.341 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1SCC#N 1115915720 NWLDVOOPWDDSTC-UHFFFAOYSA-N 425.513 2.115 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 1124299571 VZKMEQOBUKZSAR-BFUOFWGJSA-N 439.921 2.432 30 10 IEEE C=CCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)[C@H]1CCS(=O)(=O)C1 1125954185 RCOZGPSMAMKKGI-INIZCTEOSA-N 442.493 2.200 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1134490559 RAOOFSILBAJXRI-FQEVSTJZSA-N 445.453 2.426 30 10 IEEE C#CCC[C@H](O)CNC(=O)Cc1ccc(I)c(Br)c1 1138992263 ZVXRNZLZKJQLRU-NSHDSACASA-N 436.087 2.487 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 1141592081 XNKFRHJIMQBQLF-HNNXBMFYSA-N 431.470 2.126 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H]2CN2CCOCC2)C1 1148429199 VKRVIINAOWRNBQ-SFHVURJKSA-N 433.350 2.080 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)ccc1F 1265430004 MECPUTGBABYSSS-SFHVURJKSA-N 445.516 2.325 30 10 IEEE CCOC(=O)[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@H]1CCCOC1 1268900547 CJHVFCRORLMOHT-SJCJKPOMSA-N 425.279 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1286287499 FSJOBVIIRBONBQ-MBSDFSHPSA-N 436.585 2.483 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1286287720 CNEZCSGLIUTOAI-UPCLLVRISA-N 447.543 2.001 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCS2)c1 1286309634 NYGKFAUUSHNSIO-MSOLQXFVSA-N 438.557 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1286407438 VPQQKNITOIXSHU-GOSISDBHSA-N 425.537 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1ccco1 1286434636 RERMYHVPMBIPRU-UHFFFAOYSA-N 435.459 2.482 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccc(N2CCOCC2)c(F)c1 1286434763 WQOJXNIHVGWLON-UHFFFAOYSA-N 425.508 2.302 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccsc2)CC1 1286503298 DSEOWSZONJAKCW-UHFFFAOYSA-N 425.587 2.485 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1286516201 YHVBRLDGIFUIGO-WWPVKYPJSA-N 431.581 2.032 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1286517425 HEGJDUHTZQMXDJ-HSZRJFAPSA-N 449.515 2.108 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1286547688 POYOAHHWRHQCBN-QZTJIDSGSA-N 435.569 2.233 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286594498 UROXOFFVSWQROY-KNQAVFIVSA-N 437.592 2.219 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2OC)CC1 1286651925 PPZRTCSSGVOOLN-OAHLLOKOSA-N 449.577 2.356 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1286733844 KKCGEXGAFFUBTG-HSZRJFAPSA-N 443.548 2.192 30 10 IEEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286772820 TUBHDIAFWFMOTF-UHFFFAOYSA-N 448.936 2.425 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286786313 QWAMTXDUXFNIAW-UHFFFAOYSA-N 439.520 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(Cc1ccco1)C(C)C 1286786762 ZEHQEFPMBVNGSM-UHFFFAOYSA-N 426.477 2.316 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2)C1 1286810750 VJAHWEZEGLHWLD-AZUAARDMSA-N 446.573 2.213 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286932862 LDDUZFGTUZALFD-FQEVSTJZSA-N 449.559 2.084 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1287989253 UXFZSVTWSBLLSU-UHFFFAOYSA-N 435.546 2.126 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N 1288704336 ABJQHYNLRMDZAZ-QZTJIDSGSA-N 440.548 2.423 30 10 IEEE Cc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)c1 1289892575 BUJUVEOUBPWEQK-UHFFFAOYSA-N 449.559 2.269 30 10 IEEE Cn1cnnc1[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1290824825 ZLLIHOLPXAVKOH-ZDUSSCGKSA-N 429.322 2.292 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCSCCCO 1291600908 WWIIIQLJHBJDFM-MRXNPFEDSA-N 446.625 2.147 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1295161408 DFWKSRKSGVEQHM-WIYYLYMNSA-N 431.562 2.237 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1298586655 XUPTYIJGEHXGGR-LJQANCHMSA-N 446.573 2.283 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300493485 UZMJSXLSTLXCFN-ZWKOTPCHSA-N 430.578 2.132 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CC1 1303000191 BVFSFYIMMRPEAJ-HNNXBMFYSA-N 447.341 2.018 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1303642210 VJQLPIQDNMJRKK-ZBFHGGJFSA-N 434.541 2.172 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOc3cc(C(=O)OC)ccc3C2)ccc1F 1305057560 YDSDCUPZKSBHFQ-UHFFFAOYSA-N 448.472 2.111 30 10 IEEE Cn1cc([C@@H]2CCCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)nn1 1305206174 AKUKDLROLMKBEA-PYCORMQUSA-N 428.537 2.308 30 10 IEEE CN(C)CCCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)cc1 1314667748 ROJQDSTXNWMIFW-OAQYLSRUSA-N 449.559 2.391 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1315067063 JDPRJFYTHAEIPQ-GOSISDBHSA-N 446.577 2.150 30 10 IEEE N#Cc1cc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)O)ccc1C(F)(F)F 1348801736 LSZYKEMQSUCNJN-MRXNPFEDSA-N 426.372 2.483 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1359000491 WYVVRSOAFKEHAP-GTPINHCMSA-N 425.599 2.332 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC1 1359036329 UEIYGYCJAHOKQU-UHFFFAOYSA-N 426.956 2.171 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1360471577 KDODFNAPPBSGGZ-UONOGXRCSA-N 437.957 2.013 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CCC(=O)OCC)C2)s1 1446639032 QFOKFFAZNDSPEV-OAHLLOKOSA-N 428.576 2.337 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C[C@H](O)COc3ccccc3C#N)C2)cn1 1460652387 QFAVRQKIOISLIZ-SBHAEUEKSA-N 440.544 2.479 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 1469546146 QMGPFSNFCBLTCW-KRWDZBQOSA-N 448.495 2.242 30 10 IEEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 1478219651 HZCVLFUATQSJCG-ZOJXTTQQSA-N 439.438 2.496 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1501092824 GHYXJSFIGIGKSC-DVECYGJZSA-N 449.559 2.038 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCCC2)CCO1 1503784301 VAXBPEDJLHIGDW-HXUWFJFHSA-N 436.516 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1ccnc1C 1507519725 JVOHCIAMZMYDAS-HNNXBMFYSA-N 440.577 2.210 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507661151 OARMKQVPLVGBOY-XMMPIXPASA-N 445.527 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(C(N)=O)nc1 1507673627 XXNUCTRBRVGWAB-UHFFFAOYSA-N 442.523 2.479 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1507796655 IVDMYIUPFAZXNP-PZJWPPBQSA-N 433.597 2.437 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508072883 LETXCTVTGPXEGN-NRFANRHFSA-N 448.575 2.182 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)C1 1510292725 PBVWCBHVQLZHQB-UGKGYDQZSA-N 427.505 2.320 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCn1ccnc1C 1513016383 GEHMUCSWFLGFCT-INIZCTEOSA-N 436.568 2.237 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC[C@H]1C 1518611872 NBWPUIACUJDPDQ-CRAIPNDOSA-N 429.546 2.255 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccoc1 1519322356 SBFPPCWAUUQVIQ-QGZVFWFLSA-N 437.504 2.237 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1521114700 IWGVNSNFTHSPJO-SFHVURJKSA-N 429.546 2.386 30 10 IEEE Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1I 1532114559 UTEZNMSSTSRSLG-UHFFFAOYSA-N 437.241 2.283 30 10 IEEE C=C1CCC(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1534406159 GSZRFJUDJVKIEN-UHFFFAOYSA-N 437.537 2.155 30 10 IEEE Cc1c(C(=O)Nc2nc3n(c2C#N)CCOC3)nnn1-c1cccc(Br)c1 1537680152 ROGOYEZVBZXVIY-UHFFFAOYSA-N 428.250 2.189 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539052782 SMIUHSYLKJUOBR-IEBWSBKVSA-N 446.573 2.392 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1539206952 XYUMZZYPNBXNCF-QGZVFWFLSA-N 434.587 2.334 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C(CC)CC)N1CCOCC1 1539264148 WQISUXAFRTWVBJ-FGZHOGPDSA-N 427.593 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC[C@@H]1OC 1539417330 DFKIJPNTYPFAJU-JXFKEZNVSA-N 434.487 2.285 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1540073149 ONTHKZGOZLRAKG-MJGOQNOKSA-N 433.578 2.427 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCC2 1540191737 QRVYNBRFLSGRIR-UHFFFAOYSA-N 447.341 2.261 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1540859246 NZVQJZATAZEMST-UHFFFAOYSA-N 435.507 2.350 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2ccnn2)CC1 1540867759 GXBYSYWJPZVCOH-UHFFFAOYSA-N 440.939 2.409 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC[C@@H]3CCOC3)CC2)c1C#N 1543001464 QVAIGOMYBCTRNY-QGZVFWFLSA-N 426.569 2.242 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccn(-c3ccccc3)n2)s1 1545058481 JXWCZUBVOHNBOA-UHFFFAOYSA-N 430.555 2.300 30 10 IEEE CN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1554193645 FJMUXVNIRMZVSL-FQEVSTJZSA-N 443.554 2.064 30 10 IEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1554542272 DFSPKTUHIGAIGN-UHFFFAOYSA-N 449.515 2.323 30 10 IEEE COCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1555416832 ALZQKYSVQJQPDQ-HSZRJFAPSA-N 449.515 2.221 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@H]1C[C@@H]1C 1555555591 FCMHHUFRXAVAPY-YJBOKZPZSA-N 432.550 2.143 30 10 IEEE N#Cc1cn(CCC(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)c(=O)nc1O 1557707149 VVZSWZUEZZJTDH-UHFFFAOYSA-N 429.889 2.228 30 10 IEEE CN1C[C@]2(C)CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@]2(C)C1 1557741143 VPJKAPWPMVPYHI-FGZHOGPDSA-N 432.590 2.086 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 1558759326 ZWKDYYRWPDKBJV-SFNQZPIRSA-N 428.599 2.106 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC(C(=O)OC(C)C)CC2)c(C#N)cn1CCOC 1562591034 HDFJOWLTJNXEKG-UHFFFAOYSA-N 434.493 2.378 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1564531737 XLEPFDJJOAZGDE-FIDHJVLJSA-N 449.552 2.252 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1587808749 WMPPEBIDCWKEFU-IBGZPJMESA-N 432.569 2.143 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1587888906 PAWQQZYKNDSAFY-UXHICEINSA-N 439.560 2.436 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588044736 BPYCOMAIEHDFDI-HOTGVXAUSA-N 444.586 2.171 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588064239 DOGAIALEVHGVIW-WDSOQIARSA-N 428.558 2.160 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCOCC1 1588280478 LSHJCDNQTBXFGG-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCOCc2ccc(OC)cc2)CC1 1588800672 MIADLZROWWIKEL-UHFFFAOYSA-N 432.528 2.321 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1589078583 SPOGVOZJHOPFQM-UHFFFAOYSA-N 426.594 2.083 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1589664205 VJSQUDGJTBPZLH-SFHVURJKSA-N 441.561 2.416 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccnn2C)CC1 1593689909 FHSSDINHKJUAMS-UHFFFAOYSA-N 427.553 2.224 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1)c1ccccc1 1594534490 LJPJQLAPDGQHAP-FUHWJXTLSA-N 433.578 2.473 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1595051193 VGEGZQAOMWUWFD-HZPDHXFCSA-N 442.486 2.037 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1595608820 YJQVFRRCXUASFH-GOSISDBHSA-N 439.516 2.127 30 10 IEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1608152742 XEEHZYZXASXBQS-NRFANRHFSA-N 440.548 2.065 30 10 IEEE CC1CCN(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1612874824 ZIMSQTICZFZGPK-VXKWHMMOSA-N 434.560 2.493 30 10 IEEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1613013677 AYDIPVRIAQRPCF-DOTOQJQBSA-N 446.602 2.040 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@H](C#N)C2)C1 1614801221 DACMKNUCLGXAPA-LAUBAEHRSA-N 440.548 2.423 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)CC1 1622494168 UQPRAWRXEXSWGQ-UHFFFAOYSA-N 444.347 2.473 30 10 IEEE Nc1ncnc2c1ncn2C[C@@H]1CC[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)O1 1624867972 FSEDELUSXKBVSC-JKSUJKDBSA-N 444.417 2.143 30 10 IEEE COCCN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1629261895 UWYFXJJLAACWRT-UHFFFAOYSA-N 431.514 2.441 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)CC2)cc1 1629485203 JSAFPCIXLREOCI-VQTJNVASSA-N 440.481 2.103 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)CC1 1631230882 BDUKJPCZVFGKLN-UHFFFAOYSA-N 437.525 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)C1 1633662443 MDSHXDKRXPEFCG-RCCFBDPRSA-N 427.505 2.018 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1634564982 JIWCCYMJXFDNGB-QGZVFWFLSA-N 438.923 2.251 30 10 IEEE CCOC(=O)[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCOC1 1642685215 OULSQIJCQKFLDK-APWZRJJASA-N 426.435 2.121 30 10 IEEE C#Cc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)c1 1642794669 VTJFUGHCJGLHEW-IBGZPJMESA-N 432.929 2.171 30 10 IEEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)C1 1644588881 JEMSAVSLZVBVMD-UHFFFAOYSA-N 431.352 2.243 30 10 IEEE CCS(=O)(=O)C1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1645645855 CBKJGJPZICTEEJ-UHFFFAOYSA-N 430.530 2.032 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1646095949 PHVBLSXRXNNCRU-BZSNNMDCSA-N 429.521 2.286 30 10 IEEE CCOC(=O)CN(C)C(=O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648496646 PFNOXGBHGCOZCU-IUCAKERBSA-N 426.304 2.111 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1648820451 SOZOBSWXHHIUSL-CRAIPNDOSA-N 446.495 2.314 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c1 1653838268 GGODJLJYXJBLMO-IBGZPJMESA-N 442.560 2.425 30 10 IEEE COc1cc(OC)c(CNC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)c(OC)c1 1660382336 QCEYKXAZWWASOQ-QFIPXVFZSA-N 425.485 2.274 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2cnn(C)c2Br)ccc1OC 1661517269 DRYUKSCTYOEYLX-LBPRGKRZSA-N 443.323 2.351 30 10 IEEE COc1ncc(Br)cc1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1682794130 FOOUZVYVGYFHIX-HNNXBMFYSA-N 432.278 2.482 30 10 IEEE CCc1ccc([C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(CC)CC)cc1 1682797999 KCJUVOODHKJZMX-HXUWFJFHSA-N 438.532 2.032 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1690236913 TXRAKYGPQOFOMK-FXAWDEMLSA-N 438.532 2.065 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690331132 QVJXBQZTYKIVQR-ZWKOTPCHSA-N 438.960 2.473 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCOC[C@@H]1C)C(C)C 1690581251 NTLKNNDWVXXVNG-PMACEKPBSA-N 430.597 2.438 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1690597279 OTKOWEPCZNBTCS-VQIMIIECSA-N 430.530 2.404 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690673632 YXXVPCQGVHWVFF-GOSISDBHSA-N 437.523 2.113 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCN(C)C2)C1 1690686623 QWORKBCDFCHVIM-IXFSTUDKSA-N 445.539 2.405 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)O1 1694424167 APBYDTDFAKQUHX-WIYYLYMNSA-N 446.577 2.150 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1695771443 BVSVVECEGHVJQS-QGZVFWFLSA-N 449.602 2.353 30 10 IEEE CO[C@H](CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1697135423 JAQLBCCFFOKHNI-CXAGYDPISA-N 444.389 2.415 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)c1 1697299338 NVLPDSFOFJPJDM-CQSZACIVSA-N 436.472 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)cc1 1705588657 HYRCXMAFNAJFJT-SFHVURJKSA-N 443.573 2.187 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705805507 ITRQLGLQUWYSEF-QZTJIDSGSA-N 437.610 2.278 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705824295 LYFLDNDUZAKMFV-PMACEKPBSA-N 447.580 2.044 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CCN1CCN(C(C)=O)CC1 1705857294 SOWPBNOJFPZNEW-UHFFFAOYSA-N 426.565 2.206 30 10 IEEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705893400 HGHKPFYOWPBGBK-GCJKJVERSA-N 432.569 2.087 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](Cn2cccn2)C1 1705898934 CKNYJZXUVIVLPL-INIZCTEOSA-N 441.923 2.003 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nncn2CC)C1 1705921050 KOPSJJLVMIIDSD-QGZVFWFLSA-N 439.520 2.403 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1722362222 MTNLRPHITZLGIT-HXUWFJFHSA-N 429.590 2.304 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)CC=C)CC1 1722430565 FIOCXISOSIVTHX-NRFANRHFSA-N 441.601 2.176 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2nccc(C(F)F)n2)CC1 1722435532 PHNWAFZRLKYMNV-UHFFFAOYSA-N 439.470 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)nc2OC)CC1 1722440780 JULHHNGDOJIHLK-UHFFFAOYSA-N 440.548 2.002 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN2CCC)CC1 1722446307 RKAUINJLUZSKIX-NRFANRHFSA-N 449.603 2.489 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1722468497 PPUMZIVTYWOTEP-OPAMFIHVSA-N 444.557 2.389 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCCOC 1722470049 QGPSXOSVXSOBQV-JOCHJYFZSA-N 446.573 2.394 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1722477463 GUDDZYSEUNPBDH-CYBMUJFWSA-N 446.357 2.465 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1722706448 SFRWRVLLLDSFCG-IBGZPJMESA-N 442.539 2.363 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC(C)(C)C2)C1 1722720084 GLAJZXCKBLTHPX-HXUWFJFHSA-N 443.596 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1722726777 FIKIOOOMGFHHKE-INIZCTEOSA-N 440.529 2.123 30 10 IEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722733579 YQCDWOLXMBOSRC-SFHVURJKSA-N 438.532 2.487 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722738621 MNSYIYBOTQPTTE-BRWVUGGUSA-N 426.608 2.105 30 10 IEEE C=CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722740064 OWEDGDFZKBKYIK-NHCUHLMSSA-N 438.594 2.234 30 10 IEEE Cc1c(CN(C)c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1724113168 DVGVQBKTSYSPST-XDOYNYLZSA-N 446.515 2.150 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1729636806 GLNZKUCMEIXAKM-LPHOPBHVSA-N 440.548 2.362 30 10 IEEE COCc1nocc1Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1730539840 FPSKJIFTDMSNIB-NRFANRHFSA-N 430.509 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1740532963 NKTGTYDOSWDJHJ-GVDBMIGSSA-N 448.568 2.012 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1740619291 HIDUWTMBPOHKJK-OAHLLOKOSA-N 437.953 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740638096 DJYDYCIUKXXCPH-VQTJNVASSA-N 429.590 2.213 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(F)cc1 1740656485 KGBQLKBJPODZAT-ICSRJNTNSA-N 444.532 2.170 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1740684813 CAYLMAMAJCKNSM-FQEVSTJZSA-N 445.608 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCC(O)CC2)CC1 1740692469 WLZADGJKXANEJA-UHFFFAOYSA-N 442.995 2.201 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCNS(C)(=O)=O 1740755247 JFGJKAUOBUDHJC-UXHICEINSA-N 447.605 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1740756663 QJKVZERPHODUEX-ZWOKBUDYSA-N 441.532 2.255 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740884292 WERCAXISJVBJTR-MJGOQNOKSA-N 427.505 2.481 30 10 IEEE CCN(CC)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1746120721 WAIOLFAQJUHSCX-VXPUYCOJSA-N 428.468 2.369 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNc1ccc(C(F)(F)F)cn1 1747222402 ZFMCFEMPIIQQJM-HNNXBMFYSA-N 439.442 2.459 30 10 IEEE CN(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)c1ccc(F)cc1 1747552592 DRGFYKFVBYOEGQ-OALUTQOASA-N 425.512 2.411 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748718725 NNGVGSNOHQCMLG-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCc2ccccc2C1 1748830277 STHPYJGKGKRUHN-SANMLTNESA-N 447.583 2.450 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1748978328 KDHUEJAWMROGSC-WBVHZDCISA-N 447.381 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCOc2ncccc2F)CC1 1749005308 VEKDSITYNFRVMD-MRXNPFEDSA-N 428.512 2.371 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1749072213 JHOJCKBQJUQKBN-OAQYLSRUSA-N 446.577 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749724887 OJSZHVSOXIJFJG-UHFFFAOYSA-N 449.577 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOC1=O 1760101400 OSEWXUQXAPLKEE-ZDUSSCGKSA-N 435.326 2.346 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCc2ccccc2C1 1760208343 BJODSNGVVZREBM-UHFFFAOYSA-N 430.556 2.035 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1C 1760232174 VSHICGRIXAKRSD-DLBZAZTESA-N 430.578 2.370 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[S@@](=O)C(C)(C)C)CC1 1760261810 CRYYWKXIILINGW-SSEXGKCCSA-N 431.581 2.310 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760354155 PZCPZQNRFUXCPR-KRWDZBQOSA-N 437.903 2.282 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760356261 JPRXOCSJCSRGAA-AWEZNQCLSA-N 443.533 2.169 30 10 IEEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)c(=O)n1C 1761787827 BYPLUJVZLRFQJJ-UHFFFAOYSA-N 446.559 2.125 30 10 IEEE COC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1769256491 HCTYGJCGMDEUBH-FGZHOGPDSA-N 448.527 2.375 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)SC 1770044870 SYNDNSIGNUWQAX-IAGOWNOFSA-N 445.593 2.347 30 10 IEEE COCCOC1(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1770073639 VZFSEHUTKRVFNR-PXNSSMCTSA-N 437.516 2.174 30 10 IEEE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1nnc(C)s1 1772737510 LYUKAPDBXSSWEW-CIVFCKLDSA-N 429.483 2.272 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc(-n4cncn4)cc3Cl)CC2)nc1 1851208600 ADYKXALVOXMIIR-UHFFFAOYSA-N 437.891 2.166 30 10 IEEE Cc1nn2c(c1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1)OC[C@H](C)C2 1852507237 ZDPQUPFKHRVRPY-UZLBHIALSA-N 440.500 2.028 30 10 IEEE Cc1ccc(C)n1[C@H](CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccc(C#N)cc1 1852939916 GLWZEYCWIRRCDM-WIYYLYMNSA-N 428.558 2.448 30 10 IEEE COC(=O)c1ccc(C(=O)NCC2(C#N)CCOCC2)cc1I 1853363826 JBWZGRYYXRAGOU-UHFFFAOYSA-N 428.226 2.128 30 10 IEEE COC(=O)Cc1c(C)nc(SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)nc1O 1859432744 DRUWEDJTIWDNTN-CYBMUJFWSA-N 425.470 2.061 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(CC)CC2)=C(N)Oc2c1c(C)nn2C 1865227459 JVWRDPRSBIRJMP-HXUWFJFHSA-N 437.544 2.152 30 10 IEEE N#CCCN(CC(=O)O)C(=O)c1cc(O)c2cc(I)cc(F)c2n1 1866530490 ADJLCEKYUIBNGX-UHFFFAOYSA-N 443.172 2.125 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1 1866726961 GZFWVMACZGEHOU-QUCCMNQESA-N 435.480 2.329 30 10 IEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 1870140277 IJOWRFSAEMOINE-UHFFFAOYSA-N 440.847 2.178 30 10 IEEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006758 VTHVKCKHEHCYDH-UHFFFAOYSA-N 441.484 2.307 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN(CC)CC)[nH]c(=NCCCN(CC)CC)[nH]1 1871472097 WSYCSIYIHOUZDI-UHFFFAOYSA-N 432.661 2.181 30 10 IEEE C=CCN=c1nc(N2C[C@@H](C)O[C@H](C)C2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597404 YMPHBCMAPGXCQU-HZPDHXFCSA-N 428.537 2.468 30 10 IEEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871687966 RSQZXTPICQDQRY-UHFFFAOYSA-N 436.520 2.032 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1CC(C)C 1873551963 JWFVQHOZDBHCFE-UHFFFAOYSA-N 426.565 2.016 30 10 IEEE CN(C)c1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874280167 LUCDNCUZGKYCSG-QPNANDPSSA-N 430.578 2.425 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN3CCCC3)SCC(=O)N2C2CC2)cc1 1889263731 HOJRCRGWJAFFER-VXKWHMMOSA-N 427.570 2.058 30 10 IEEE COc1ncc(Cl)cc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889379439 VPBALLSEFUFYCP-UHFFFAOYSA-N 448.995 2.394 30 10 IEEE C=CCN(CCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1985018798 YJAYDAYTKNMSAJ-HOTGVXAUSA-N 427.542 2.286 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 1992857991 KXIAXQZXANAHEX-XUWVNRHRSA-N 427.542 2.236 30 10 IEEE C#C[C@]1(O)CCCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2009819259 JDBDBVYZXBJDOY-BJKOFHAPSA-N 427.545 2.143 30 10 IEEE COc1ccc(C=CC(=O)N[C@@H](C)C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 2042447132 UZQXPMJVDQXMCK-WMLDXEAASA-N 427.482 2.398 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC[C@@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2054336015 ZLUWTAPTRUNJRO-SECBINFHSA-N 443.232 2.345 30 10 IEEE C#CCN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2059533878 RTSPTBFZQMVVFT-UHFFFAOYSA-N 440.588 2.323 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060635921 QSFIMMBRMPGZGJ-HNNXBMFYSA-N 430.314 2.021 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060640624 WWTRJZIYOWNNTH-INIZCTEOSA-N 436.314 2.396 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2085300203 IBCCXQYXEPAWPA-GJZGRUSLSA-N 439.362 2.230 30 10 IEEE C#CCN(CCO)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229098965 HRTNJMRODJPAJC-INIZCTEOSA-N 425.323 2.339 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435262 NVNMQCFKOBZLAS-OAHLLOKOSA-N 430.376 2.493 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2247832427 PCUXALPYGNKDBK-JYAVWHMHSA-N 435.355 2.037 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(C)(C)NC(=O)OC(C)(C)C 2255654215 UBEKLYDCYPNVIX-ZDUSSCGKSA-N 436.362 2.141 30 10 IEEE CC(C)N(CCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255831219 RVLGABUAIBIVSI-UHFFFAOYSA-N 436.362 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256015319 UWUZQNFVSALRMD-CZUORRHYSA-N 432.326 2.334 30 10 IEEE COC[C@@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2256668496 BCFCYVXYUFQREP-CQSZACIVSA-N 435.330 2.249 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2259354467 CORTWSYZANMAHV-GOEBONIOSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)Nc1cncc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)c1 2267134690 SVRUFZJYJKGMEA-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268640840 JVOQZPGNCJCOFI-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2282176362 SEKRTDAGCNMISK-UQBPGWFLSA-N 448.376 2.418 30 10 IEEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)CC(C)(C)C)NC(=O)OCc1ccccc1 2286055701 KHJCGCVXTHUPAZ-QGZVFWFLSA-N 439.534 2.046 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339579 FYYNRCQQHOMAFH-OCCSQVGLSA-N 437.371 2.475 30 10 IEEE COc1ccc(S(=O)(=O)NN=Cc2cc(Br)cc(OC)c2O)cc1OC 2323404032 MQMDYBAXIWMEGO-UHFFFAOYSA-N 445.291 2.493 30 10 IEEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1c(OC)ccc2ccccc12 2330772975 YOYPXOGJZPKBDP-UHFFFAOYSA-N 427.486 2.223 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc1O 21316853 ZHXFVPGPHFWXFP-YSRRJJCPSA-N 441.517 2.122 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(N(CCC#N)CCC#N)c2N)cc1 40737050 KPRVAZXCSWBHHG-UHFFFAOYSA-N 442.549 2.467 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 45334289 PXQHXGLIABJFSO-SFHVURJKSA-N 446.495 2.066 30 10 IEEE C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccc(Cl)c1 215969756 IRJPNUIIGIBAHW-MRXNPFEDSA-N 446.960 2.395 30 10 IEEE CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=NNc1ccc(C(=O)O)cc1[N+](=O)[O-] 254307866 JWAAKLUMIQOJRO-UHFFFAOYSA-N 425.357 2.027 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cn1 462108206 KPKIBEJKJOZWBI-FPOVZHCZSA-N 431.500 2.143 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(OC)c1 491157227 VMQBQFZCAPNLCU-GOSISDBHSA-N 431.514 2.284 30 10 IEEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 508871624 GAXCJGGUCKURQD-MRXNPFEDSA-N 431.924 2.349 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 511318113 APMPNINKNIZLJF-QFIPXVFZSA-N 442.560 2.419 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)cc1 522109706 PINJSQDLESBQIR-UHFFFAOYSA-N 437.565 2.057 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccccc1 549507686 GFCNYAOOHGCYAL-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 555170208 RVQNCNASFPWQFD-BBRMVZONSA-N 432.492 2.485 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 555248157 LGUHLZUTERBRSK-NRFANRHFSA-N 436.560 2.275 30 10 IEEE N#Cc1cc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)ccc1Cl 557849406 POPKNVNZRUONBY-CABCVRRESA-N 431.901 2.409 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)/C=C/c1cccc(F)c1)N1C(=O)c2ccccc2C1=O 585830894 IUIKWRRXYZQMEE-RDJXAHQRSA-N 449.482 2.187 30 10 IEEE Cc1ccc([C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)N2CCOCC2)cc1 604102114 LEEYSDPAGGNKRN-QFIPXVFZSA-N 434.544 2.167 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)CCN1C1CC1 732709006 YCURTIPSIIUQNM-HNNXBMFYSA-N 449.433 2.191 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCc1cc2c(cc1Br)OCCO2 741341057 HNGIYKNVUDJRCI-ZCXUNETKSA-N 437.246 2.180 30 10 IEEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 743114467 OKIYHWDITAJTLJ-GREXYARLSA-N 449.577 2.364 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 744780631 JPGAXSFUCGWJMA-HOTGVXAUSA-N 426.560 2.424 30 10 IEEE COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 746886211 GXRSEMMDDUWLED-UHFFFAOYSA-N 430.482 2.208 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 750049298 WZMPQOKMGBNLON-UHFFFAOYSA-N 448.523 2.431 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cccc(S(N)(=O)=O)c1C 754321151 AOWPHPTZKOWXIY-OAHLLOKOSA-N 445.497 2.143 30 10 IEEE COc1ccc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)cc1 775929602 CIVBJSVMONKAEU-OAQYLSRUSA-N 439.585 2.288 30 10 IEEE CCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 781764618 HNDVNCYKBCLUDS-IBGZPJMESA-N 443.529 2.429 30 10 IEEE Cn1ncc(Br)c1C=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1 782199624 SXOZXLKXDMQSRN-UHFFFAOYSA-N 436.295 2.219 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)n1 788695087 CUVPZNMDGPCZTK-UHFFFAOYSA-N 428.917 2.134 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790583313 CBVOIIBBEJGKLU-HSZRJFAPSA-N 434.581 2.099 30 10 IEEE CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 791051884 ZAHOXUNKBLDSFS-AINLKENTSA-N 425.485 2.070 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)cc1 791241518 PXIDHODSKFXACP-UHFFFAOYSA-N 447.488 2.201 30 10 IEEE CSc1nc(C2CC2)cc(C(=O)OCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1C#N 792734567 BSXVTOUCIBQGGH-MRXNPFEDSA-N 446.573 2.182 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC2(O)CCOCC2)C1=O)NC1CC1 795178199 QEPGGIBTQOQCHR-QGZVFWFLSA-N 435.521 2.358 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 800773071 AOQFVEISMWZZOZ-HTAPYJJXSA-N 427.505 2.275 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 804455063 CIDAVJLBQOBUAD-OFNKIYASSA-N 426.538 2.192 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 805782428 LHLLNWICPHBLPI-HXUWFJFHSA-N 444.557 2.332 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H]2C[C@@H]2C(F)F)C1=O 807936201 XLBFIZZWHQSVAW-BPUTZDHNSA-N 435.500 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 810574784 GHZIAZRTCDBVQE-AWEZNQCLSA-N 431.873 2.222 30 10 IEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 812303515 ALVCXHHMQUFHSM-SVFBPWRDSA-N 440.569 2.486 30 10 IEEE COc1ccc(-n2ccnc2SCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 916775329 QCTMFSFAPBXVRP-UHFFFAOYSA-N 442.522 2.491 30 10 IEEE CCCCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 916873665 YIUZNNFMODVNQR-IBGZPJMESA-N 435.546 2.035 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2c(F)cccc2Br)CC1 1116263167 YUWSQNPDFCVNNX-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1127913000 MISVRICMWWAALC-IIBYNOLFSA-N 426.477 2.492 30 10 IEEE COC(=O)c1cnn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1134404261 GKYGHDHGXRJSHT-RKDXNWHRSA-N 435.271 2.299 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1154555411 ATNXONFPSGSKMC-IAGOWNOFSA-N 447.598 2.498 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1178027052 KIAFZNLVTUUIRA-INIZCTEOSA-N 445.969 2.258 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2cnccn2)C1 1178840773 JXIFNXBKAPRGSF-WBVHZDCISA-N 427.530 2.090 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)c1 1186674643 MJNCIVUUIUWIAP-UHFFFAOYSA-N 428.235 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 1211839677 GONZRLIXWAFNLM-CYBMUJFWSA-N 431.461 2.141 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286385552 OAABHAABLLFAJN-FQEVSTJZSA-N 443.617 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCN(C)C1 1286422664 CZTSLWICSQKZNO-QFIPXVFZSA-N 427.936 2.137 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCCS(C)(=O)=O 1286433319 BZVBGCSUXLZXKX-UHFFFAOYSA-N 428.558 2.372 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC1CC1 1286436541 MZRBMIBCAIVUDH-UHFFFAOYSA-N 440.367 2.320 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC(F)F)CC1 1286474147 CFPUYWPHPGSVCM-UHFFFAOYSA-N 435.475 2.347 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286545828 CAHGAWYORAVHCH-UWVAXJGDSA-N 427.553 2.360 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1286619320 ABWLGMDAQCCDMV-IFXJQAMLSA-N 437.953 2.277 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1286781507 RYOOTXPMYYYGEW-GJZGRUSLSA-N 430.940 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286818441 WTRDYDUHXPKWMX-GJZGRUSLSA-N 437.532 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccccc1C 1286819743 UPKUWHLMGTWTDN-SFHVURJKSA-N 431.562 2.165 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCn1cc(Br)cn1 1288022364 GTBWFAQBSQDQOL-CYBMUJFWSA-N 437.346 2.204 30 10 IEEE C#CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 1293513808 QUFUVMQRANCQHC-HNNXBMFYSA-N 429.336 2.016 30 10 IEEE CCOCc1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1297298632 CACYODIWBDFMLK-OAQYLSRUSA-N 436.516 2.183 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3NC(=O)CC34CCCCCC4)CC2)cc1 1300024034 DXXRTWKWKUQZGE-UHFFFAOYSA-N 444.557 2.315 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@@H](C)C1 1300471944 UCXMBRRGYAQJJR-HSZRJFAPSA-N 449.647 2.444 30 10 IEEE C#CCN(c1nnc(C)n1CCC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1300482427 FLLPRDCWRIDIKE-MRXNPFEDSA-N 449.964 2.204 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300492924 PRENMOKBVFSLEE-OALUTQOASA-N 443.573 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1300586675 ICFCFFGIVPMPMT-UHFFFAOYSA-N 440.569 2.165 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@H](C)C1 1300901025 VQLCHYKWBZNQLQ-BZSNNMDCSA-N 426.631 2.411 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1300999501 DIGSQRXZRSRZTG-IBGZPJMESA-N 436.516 2.132 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1301012329 AVGDSTSYKMCYEU-MRXNPFEDSA-N 433.944 2.225 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC)[C@H](C)C1 1301519895 SDVRTTUDCPUTMX-QGZVFWFLSA-N 444.605 2.412 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301603527 BFNCWJKCJGGVRH-UHFFFAOYSA-N 438.623 2.063 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1305726600 PGSBCFQCAAYDRF-VQTJNVASSA-N 440.548 2.244 30 10 IEEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cs1 1306040079 VJBLTNXYNKBAJN-HNNXBMFYSA-N 437.529 2.108 30 10 IEEE COC[C@H](F)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1315819701 SIZYFQNTUFIRHI-MRXNPFEDSA-N 426.452 2.498 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1316192505 ZLSFPNJYVRWKDD-YHBROIRLSA-N 433.553 2.470 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1358900658 PZHSWBXDZGOARK-YESZJQIVSA-N 446.552 2.349 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@@H]1OC 1359002921 RSKYWPHJEITWBB-UZLBHIALSA-N 444.532 2.482 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1359022733 LBDKUAHOJRNGQO-QGZVFWFLSA-N 443.552 2.467 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCc1cccc(C(=O)N(C)C)c1 1359027444 JYRZMAZHUQIXTI-HXUWFJFHSA-N 425.533 2.160 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccsc2)CC1 1359031340 YOMJRPAEQJVHND-JOCHJYFZSA-N 429.590 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=C)Br)CC1 1359033156 RKNNEEZWWCMQFX-UHFFFAOYSA-N 430.306 2.338 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccccc2)CC1 1359038025 HVUMDDJGJQEMMS-JOCHJYFZSA-N 433.560 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCC)CC1 1359043126 HYLBAFVOSNQWIL-XMMPIXPASA-N 434.544 2.334 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359059619 UNWHRCLNHQNELH-FQEVSTJZSA-N 438.601 2.373 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1359270641 XKGZDFREQGUEEQ-UHFFFAOYSA-N 449.559 2.093 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(N)=O)CC1 1359295558 GMTHGPWRJBQUIK-UHFFFAOYSA-N 437.331 2.256 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1359297489 SINIKGYFTNUXID-MRXNPFEDSA-N 428.493 2.421 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1359318665 JMVCEZSYVULUBP-NHCUHLMSSA-N 426.565 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1359331545 CAIVWSNGWXKJRC-HZPDHXFCSA-N 433.534 2.073 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)CC1 1444337993 NVKQTTNCJHEFJM-UHFFFAOYSA-N 437.496 2.443 30 10 IEEE C[C@@](CO)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 1454713700 XSDQYPMSMQRYRF-QKKBWIMNSA-N 442.859 2.497 30 10 IEEE C[C@H](CC(=O)N1CC[C@H](Oc2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1455465584 GLBBOGAVMAWBGY-PBHICJAKSA-N 431.489 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC[C@]1(O)CCCOC1 1469740281 IIAWYCOOZZVJOC-WMZHIEFXSA-N 429.517 2.440 30 10 IEEE Cn1cc(CNC(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1469756253 MEISFUCZBMTQTJ-KRWDZBQOSA-N 426.477 2.309 30 10 IEEE CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1nc(N)nc(C(F)(F)C(F)(F)F)n1 1472877585 XAXJWZUKCJFLHZ-LURJTMIESA-N 446.306 2.461 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCN3C[C@H]2C)n1Cc1ccc(C#N)o1 1496788744 PFBKRFABGWXPIN-NVXWUHKLSA-N 425.537 2.382 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507584673 BIRDJVDLRWVPTG-UHFFFAOYSA-N 437.592 2.268 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507631579 FMZOXADJVKFODO-RTWAWAEBSA-N 442.585 2.464 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507710489 PKDQZSQNXSMATP-OXJNMPFZSA-N 427.505 2.073 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)C2CCCCC2)CC1 1507731201 CUDWOLVEMYXVOQ-HXUWFJFHSA-N 428.581 2.066 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1507800483 VXRKVUWVFOLVKV-HCXYKTFWSA-N 438.594 2.167 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1508161769 NGIVMLCQGVJTFO-GOSISDBHSA-N 449.602 2.224 30 10 IEEE CC(C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1508729773 JLMCUUZESJZJLO-UHFFFAOYSA-N 431.544 2.427 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC(C)(C)O1 1512418952 HICVWVIITNHLLU-CYBMUJFWSA-N 436.438 2.499 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1517181750 GIMDIWBELZQNQI-UHFFFAOYSA-N 438.923 2.366 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)C(F)(F)F 1517786091 DUKXBNSPFDIZLD-HNNXBMFYSA-N 445.467 2.265 30 10 IEEE COc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)N(C)C)c1 1518376463 VIQXYZSJEWMNLO-HNNXBMFYSA-N 433.516 2.439 30 10 IEEE C#Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)c1 1525405253 AJIUJHOSIOSMAQ-UHFFFAOYSA-N 444.509 2.155 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)SC)c1 1539044119 YJXOXNYACQJVPS-YOEHRIQHSA-N 426.546 2.037 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)nnc1[C@]1(OCC)CCOC1 1539140633 PWRBOFOBDGHVQW-VGSWGCGISA-N 444.536 2.428 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN(CC)CC)cc1 1539180249 YFVCNYVEGCTDSH-FQEVSTJZSA-N 429.590 2.140 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CN(CC(C)C)CCO1 1539196797 YGUBIVOHXWQTEY-LJQANCHMSA-N 427.549 2.292 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1540021373 SIXGIPWBEFFMCQ-UHFFFAOYSA-N 428.537 2.398 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540036557 ORQDTFZBYBYDMB-VQTJNVASSA-N 430.553 2.093 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2CC#N)CC1 1540603399 HEGCJQNVFLLLEK-UHFFFAOYSA-N 428.470 2.116 30 10 IEEE Cc1c(C(=O)N(CCC#N)CCN2CCOCC2)nnn1-c1ccccc1Br 1544336705 CNFIMPBKYVUDMF-UHFFFAOYSA-N 447.337 2.026 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1CCOCCS(C)(=O)=O 1554150883 ZXELEKSPMRJIQU-UHFFFAOYSA-N 433.578 2.436 30 10 IEEE CN(CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)CC(F)(F)F 1554294027 WUPLBOJENFWMMB-UHFFFAOYSA-N 435.454 2.260 30 10 IEEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1555273443 ZZFFTJYJXWHERA-LJQANCHMSA-N 438.511 2.251 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(=O)n(C)cc2Br)C1=O 1556439054 DGDRUISSOZRBJF-SFHVURJKSA-N 441.326 2.464 30 10 IEEE CCn1c(O)nnc1C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1557204227 SJGSTRCYHHFBNP-UHFFFAOYSA-N 431.537 2.360 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCO[C@@H](CC(N)=O)C2)c1 1557816497 JDBVIIMFPAHWTJ-KRWDZBQOSA-N 438.509 2.005 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N=c1cc[nH]cc1OC(C)C 1558731467 ZLYWBGKNSMKLDW-KRWDZBQOSA-N 430.530 2.383 30 10 IEEE N#Cc1cc(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)ccc1Br 1561265356 ABWSMPACNWKFBO-OAHLLOKOSA-N 428.352 2.242 30 10 IEEE COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CC2=O)cc1 1565047241 CXBUHMBJQGWADS-GOSISDBHSA-N 437.475 2.343 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)C1 1565346847 YWYPVIPOWINVDZ-IRXDYDNUSA-N 428.562 2.284 30 10 IEEE C#CCCN1CCC(NC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1565989153 ZFUVNIHQDRKNPB-UHFFFAOYSA-N 442.585 2.018 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCc3nncn3CC2)CC1 1585535136 SWGWCKOYGHENBJ-WMZOPIPTSA-N 443.349 2.402 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccc(C#N)c1 1585726042 OAFNIYGXLRSOLI-WBVHZDCISA-N 439.434 2.481 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)ccc1OC 1585957672 GXPRZOYVBIXZEB-CQSZACIVSA-N 435.477 2.401 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCC(F)F 1587621129 PCVCNGNVKDLJFP-CQSZACIVSA-N 430.459 2.415 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1587668110 SRLFPQVPHJGJPB-SFTDATJTSA-N 449.603 2.460 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1587974966 HUODNETZPNWGSW-GOSISDBHSA-N 447.543 2.049 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1588011501 DLRLNGGETQGOMI-UHFFFAOYSA-N 437.523 2.233 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588044685 ASRPGVIMDHWUNS-GOSISDBHSA-N 444.557 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCCC1 1588233283 FZJXYQMWKXIXQK-IBGZPJMESA-N 447.605 2.044 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 1588877061 TWHSETUWOXBIHR-RTBURBONSA-N 444.624 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccccc2)CC1 1588913233 CYEMRIGUFNIYRY-VWLOTQADSA-N 446.555 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1588968016 DYLMFYMJXXFCOP-LJQANCHMSA-N 444.624 2.291 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1589662671 AETJHCPWVTZCHE-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=C(Cl)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1593932350 HONLKWACHHWHNT-OAQYLSRUSA-N 449.987 2.129 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1Cc1ccc(C(N)=O)nc1 1595251407 SNUGLXHLULUGKO-UHFFFAOYSA-N 430.472 2.105 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)C1 1595593407 CTWOXQLPPRQJGC-JOCHJYFZSA-N 429.521 2.173 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@]3(CCOC3)C2)cc1 1595608346 RLGHCBDOMXYTLZ-QHCPKHFHSA-N 441.532 2.025 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1595878533 PPBSXSIMBCHFHD-KBPBESRZSA-N 432.516 2.221 30 10 IEEE CC(C)NC(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1609522107 AHKUPOYKZQRDKZ-MAUKXSAKSA-N 430.484 2.201 30 10 IEEE COC(=O)C1=NOC2(CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)C1 1611552564 GZEBTHXBBOFYDB-UHFFFAOYSA-N 442.321 2.218 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1611769692 WUVQCIHTELVRBP-MIZPHKNDSA-N 436.516 2.399 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@@H]1CCCO1 1614024799 UHVXAKPDIMXAJD-IBGZPJMESA-N 425.537 2.019 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1619818257 XPHQVUJVAYTCRH-NRFANRHFSA-N 429.546 2.258 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCN1CCc2sccc2C1 1619911679 CIDHMNOIUBKWKB-UHFFFAOYSA-N 438.561 2.221 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)C1 1619954326 DEXJKGXJELIGAZ-MBOZVWFJSA-N 440.548 2.219 30 10 IEEE C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@@H]1CN(C)CCO1 1622416320 OWWBNZWTZCASKZ-RYGJVYDSSA-N 428.533 2.228 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1(C(=O)OCC)CCC1 1622563137 IEVPFGRSHFIHQU-UHFFFAOYSA-N 428.551 2.137 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1623659106 KOPBVTJGJDIMRW-NXHRZFHOSA-N 442.375 2.197 30 10 IEEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)c1 1627494703 HRPJGIOMOZDLSE-UHFFFAOYSA-N 440.525 2.033 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCO[C@H](CNC(=O)OC(C)(C)C)C3)cc2C1=O 1637501925 YDXOYPMSPKZLFH-MRXNPFEDSA-N 443.500 2.224 30 10 IEEE N#CCCNC(=O)Cc1cc(I)cc(I)c1 1639707863 MVHLYDACGQKRIO-UHFFFAOYSA-N 440.022 2.468 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1643214345 VYDGEUFSBCSRAZ-GWCFXTLKSA-N 426.844 2.344 30 10 IEEE CC(C)(C)OCCCN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1643584817 FHWHBCAUBCFCCI-UHFFFAOYSA-N 425.526 2.086 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)s1 1644821680 QJIJZTGJPYBQOZ-DGCLKSJQSA-N 426.482 2.323 30 10 IEEE Nc1nc(N2CCN(CCCOCC(F)(F)F)CC2)nc(C(F)(F)C(F)(F)F)n1 1650683138 BTUIZDNMMICGAR-UHFFFAOYSA-N 438.323 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C(F)(F)F 1654813250 XUUOPBHFLMTZNA-ZIAGYGMSSA-N 448.467 2.114 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCc4ncc(Br)n4C3)CC2)nc1 1668264797 DFWWULAKIZXRSR-HNNXBMFYSA-N 444.337 2.195 30 10 IEEE Cc1sc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)nc1-c1ccc(Cl)cc1 1677343916 HOTRKPLOUMHGNT-UHFFFAOYSA-N 444.904 2.405 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1689826709 SXBZTJLGCLPXMA-HNNXBMFYSA-N 444.923 2.162 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(=O)(=O)CC 1689893517 ZJJWELOELFFOFT-IBGZPJMESA-N 432.546 2.465 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1689926514 QPFBQGCWIKHWJP-QGZVFWFLSA-N 449.559 2.297 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CN(CC(C)C)CCO1 1689955553 MFZVBPLLXCPHMZ-LJQANCHMSA-N 427.549 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1CCOC1 1690000316 YQIZDVCQQQHSAV-SFHVURJKSA-N 425.920 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@](C)=O)CCC1 1690051008 JNOLKDIOFFEHAS-HKBQPEDESA-N 434.569 2.281 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)[C@@H](C)CC)CC1 1690115151 UZNUFQXPOJGJCM-SFHVURJKSA-N 425.537 2.339 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[C@H]2OC)CC1 1690148912 ZQKPBFXWUJERIE-PZJWPPBQSA-N 436.560 2.045 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(N)=O)c1 1690243650 NRFNFJRQIDWEAP-AZUAARDMSA-N 435.532 2.395 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690329993 AJTQSWKGFVRANC-NSHDSACASA-N 427.734 2.466 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690508533 KRNMPYMABWVVAM-NRFANRHFSA-N 446.640 2.370 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1690513842 LGKNKZDQKHBWLZ-JOCHJYFZSA-N 442.951 2.495 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696223990 UQXIEVYMEWHNFY-DPPKGPFUSA-N 428.537 2.467 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCN2CCC[C@H]2CO)cn1 1696863834 XISMHUDKGYZKNL-UGKGYDQZSA-N 426.569 2.046 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1 1697484708 JKQIQYCRNOCCLB-HSZRJFAPSA-N 438.532 2.474 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nnc(C)s1 1697587710 CMUSJFKFAFPDPE-KRWDZBQOSA-N 439.545 2.399 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCC[C@H](C)C1 1698058281 DJGZUFBTCAIIHV-OALUTQOASA-N 431.585 2.001 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1698394326 LQIJPNVPBUMHLP-IRXDYDNUSA-N 439.545 2.137 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1705522328 AOABMGLHQCDTNO-UHFFFAOYSA-N 434.544 2.456 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705532940 SMOMXFJWKYWVPV-IBGZPJMESA-N 430.578 2.015 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1705559707 FCQTVGHUEDHUCK-NSHDSACASA-N 425.299 2.016 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705564123 LQYGRJFCTXZFTD-HXUWFJFHSA-N 443.573 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1705584651 SNPPLPLWSKIYLE-DEOSSOPVSA-N 440.551 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cnn(C)n1 1705592210 SDTHJBILSXTYQS-UHFFFAOYSA-N 441.337 2.260 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)C1CC1 1705616656 DAVFITDFDOPZLO-VWLOTQADSA-N 436.604 2.263 30 10 IEEE C#CCSCCn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1705664915 FSDRHKJVHAYUTJ-JOCHJYFZSA-N 444.605 2.414 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705831790 CWPCSTALZKZZLY-SFHVURJKSA-N 430.553 2.076 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1705912471 LFFNFLMSLUAAII-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nnn(C)n2)cc1Br 1707358537 GDFSITRULUKWLY-QGZVFWFLSA-N 446.288 2.030 30 10 IEEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1711560905 CJKMYTFXYGJFBI-UYAOXDASSA-N 437.548 2.098 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC2CCCC2)cc1 1712881242 OMIWXBVDAVPQAT-UHFFFAOYSA-N 429.546 2.401 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1722293054 BKBAUNWEYOEYNX-CMKODMSKSA-N 445.589 2.181 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1722297794 OLRBYJRGCIPZIV-KRWDZBQOSA-N 442.589 2.480 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CC(F)(F)CO2)c1 1722309451 NOZRZBWTWFILCF-WMZOPIPTSA-N 445.470 2.262 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1722329409 AGWXPMDMVRHCCC-AWEZNQCLSA-N 429.322 2.335 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1722364614 MBJVKGZDPUXCQX-IEBWSBKVSA-N 440.573 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1722386637 FRNODGMDDSWJIX-FQEVSTJZSA-N 425.496 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)SC)CC1 1722443765 NUFDGBSHSWNVRO-VGSWGCGISA-N 449.621 2.036 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1722458360 HMCCZJOUIZDUOE-HXUWFJFHSA-N 438.601 2.226 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1722531637 VKCPUEYAPHGUAG-GOSISDBHSA-N 449.577 2.013 30 10 IEEE C=CCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1722621958 DFGHEWGLYLREJM-KNQAVFIVSA-N 430.553 2.307 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1722697523 KOSOGACXGSHLRO-INIZCTEOSA-N 438.561 2.495 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1722731678 BQXDDRQYDJQXQV-HNNXBMFYSA-N 435.619 2.411 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(=O)N(C)C)CCCC1 1727608220 UIPKZUUPZOAOQM-UHFFFAOYSA-N 436.564 2.082 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1729637249 GWAFBCCCFNIBGZ-OXJNMPFZSA-N 430.459 2.203 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2CCCO)C1 1731179459 CFHMXMJGCZFWTC-UZLBHIALSA-N 433.919 2.282 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1731188218 HBBDDGCTWCDVHT-IBGZPJMESA-N 434.610 2.186 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1740563500 SXTXQXSKZPSCSZ-JZSBVZHHSA-N 435.594 2.418 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1740590568 IDDSIOPULOPXLS-QZTJIDSGSA-N 435.594 2.183 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1740611657 NKEHFSDBCCJPIR-HSZRJFAPSA-N 430.556 2.338 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1740640914 ZCIHVMHSYATVIF-RTBURBONSA-N 443.548 2.086 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740701589 MNTHEMHWWVSGDG-AVRWGWEMSA-N 446.555 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740701984 GRYDLXKTZHAPRO-CTNGQTDRSA-N 444.624 2.114 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC)c1ccccc1 1740853980 BYGFOZCSYDGUTN-RTBURBONSA-N 433.578 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 1740987238 CWROLHQIAGQBTH-KRWDZBQOSA-N 433.578 2.085 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CCO1 1741753362 CGTMHNNRRIGNIW-HXUWFJFHSA-N 440.548 2.315 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1746335780 JMMHFZXVWWYFNZ-UHFFFAOYSA-N 443.485 2.058 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748678554 VZFATAUBSCZFRG-INIZCTEOSA-N 426.521 2.016 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1748697996 BODFAKBREGCLAE-VGSWGCGISA-N 443.573 2.328 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748804096 CQJUAOCSGUWWPR-OAHLLOKOSA-N 430.427 2.419 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748820125 ZKEBPZQHLNYEKW-YJBOKZPZSA-N 436.965 2.184 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1nnc2n1CCCCC2 1748859323 FQSIEKGYAMUTMC-UHFFFAOYSA-N 445.527 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nnc(C(C)(C)C)s1 1748901508 ZUTLUYHXKGBCJN-UHFFFAOYSA-N 425.562 2.061 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)CCCO2 1748951405 USGSNVPRQYTWTO-XMMPIXPASA-N 440.544 2.390 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2C[C@H](F)C2)CC1 1749019840 DNTPJBXDUMGQGG-LEAZDLGRSA-N 447.555 2.106 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749232477 MIQBHLVTBZFRIE-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749447623 JDMPCRZSSQEWSX-NRFANRHFSA-N 426.477 2.162 30 10 IEEE C=CCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749643561 VUIWCAOJIGGRJV-REWPJTCUSA-N 432.613 2.109 30 10 IEEE CC(=O)N1CCN(CCn2c(Cn3ccc4ccccc43)nnc2N(C)[C@H](C)CC#N)CC1 1749888319 HJFRHJOAMLULFU-LJQANCHMSA-N 448.575 2.184 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)C1 1750377880 BHWXARYFORXLSS-UZLBHIALSA-N 439.557 2.362 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1751397845 KHPDCPNHYNDUOQ-WMZOPIPTSA-N 439.520 2.058 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1760145370 NSSICNCALNXVMI-MAUKXSAKSA-N 435.525 2.019 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1760188915 RBLDGMJWYLGHIA-RTBURBONSA-N 446.548 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCC2)CC1 1760269733 CWNVGPYXZWWLMQ-UHFFFAOYSA-N 441.963 2.403 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760373814 CDWGEQYINPHCBB-MSOLQXFVSA-N 447.948 2.382 30 10 IEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760443595 JRPJFCMYTZOOOI-KRWDZBQOSA-N 442.495 2.435 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760521029 HTHKYGGYVDAOBH-GOSISDBHSA-N 439.564 2.083 30 10 IEEE CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1761060309 BPFDOWBWSIJYQX-WIYYLYMNSA-N 437.610 2.497 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCOCC1 1761362412 ZBBSSVBNYYTXDS-LJQANCHMSA-N 436.564 2.367 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1761553040 BBHOWGXTQUHNGB-XMSQKQJNSA-N 443.573 2.381 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1762690831 HENOXXIDJGSAPF-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCS(=O)(=O)CC1 1763656651 SOULWFAOHULLLJ-AWEZNQCLSA-N 444.561 2.151 30 10 IEEE CN(c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1766982303 VNKUITVWFVWNMT-OAHLLOKOSA-N 429.477 2.144 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)[C@H]1C 1768280703 FXNAANSCCDXMJV-MRXNPFEDSA-N 446.577 2.150 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1768931388 DOVAJZKKPJQTEE-UHFFFAOYSA-N 439.545 2.117 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCSC)CC1 1769357898 YMBORHZMYYLDRX-UHFFFAOYSA-N 443.577 2.333 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1770197549 VTWIXCGYPYAMJT-LNLFQRSKSA-N 430.553 2.047 30 10 IEEE CSc1cccc(F)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1771425852 GZEFZGHTPONPET-QWHCGFSZSA-N 440.570 2.393 30 10 IEEE C=CCN(C(=O)c1cnn(-c2cc(-c3nc(C4CC4)no3)ccn2)c1C)[C@@H]1CCN(C)C1=O 1850855905 FQQMZKOADGYSOH-GOSISDBHSA-N 447.499 2.362 30 10 IEEE Cc1nc(N(C)C(=O)C2CS(=O)(=O)C2)c(C#N)c(C(F)(F)F)c1Br 1852221013 GEJKVAROCKDPNG-UHFFFAOYSA-N 426.214 2.050 30 10 IEEE C=CCN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCN(C)C1=O 1852597829 NAUMBDSNUNIFGH-HXUWFJFHSA-N 445.516 2.266 30 10 IEEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)c(F)c1 1853032938 MYTVBNQPJOSMBM-UHFFFAOYSA-N 449.490 2.269 30 10 IEEE C=CCN([C@H]1CCN(C(=O)c2cc(C)sc2-n2cccc2)C1=O)[C@@H]1CCN(C)C1=O 1854242854 XLYASLXWPQHENF-MSOLQXFVSA-N 426.542 2.307 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CCN1CCCC#N 1854281623 QSFNSJZLMKWUMK-OAHLLOKOSA-N 425.938 2.257 30 10 IEEE COc1ccc(N2CCN(C(=O)[C@@H](C)CS(=O)(=O)Nc3cccc(C#N)c3)CC2)cc1 1858111503 PWICGTRAGGVRSF-KRWDZBQOSA-N 442.541 2.293 30 10 IEEE Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(NC(=O)c4cccc(C#N)c4)nc3)ccc21 1858290703 OBOJTGMZSOGERT-UHFFFAOYSA-N 449.448 2.451 30 10 IEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861175422 GVNPQUKTDVQZEJ-FCHUYYIVSA-N 427.589 2.460 30 10 IEEE COc1ccc([C@H](C(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)C(C)C)cc1OC 1866992028 SUMZQWOPEHTXLE-WIYYLYMNSA-N 425.485 2.431 30 10 IEEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870459115 JLDOUOBXFFPSPM-UHFFFAOYSA-N 441.528 2.198 30 10 IEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870519534 WAFWORSKZDKZOH-PMACEKPBSA-N 439.556 2.381 30 10 IEEE CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874332350 GAZHNEFIQJNNRF-PCQWDSEFSA-N 446.489 2.286 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCCC3)SCC(=O)N2C2CC2)cc1 1889263729 HOJRCRGWJAFFER-FCHUYYIVSA-N 427.570 2.058 30 10 IEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1964763509 IQIAKGLCIIEHSP-HGCBZUSOSA-N 428.533 2.295 30 10 IEEE CC(=O)Nc1cccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2[C@H]2COC(C)(C)O2)c1 2033814372 RWXMRFUNGPVHNH-UKRRQHHQSA-N 444.469 2.058 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CNCc2occc2B2OC(C)(C)C(C)(C)O2)CC1 2039824467 MIHDOVAMOAZFAU-UHFFFAOYSA-N 436.358 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754381 MHJWIVXIQYAELP-NYHFZMIOSA-N 436.358 2.301 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#N)c(C#N)c1 2164499872 YBOMIOCFGPOAFZ-FQEVSTJZSA-N 426.429 2.196 30 10 IEEE CC[C@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243390344 SZAKDRYNCJSNIJ-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C(=O)OC(C)(C)C 2243678886 PHFDMBIBEXKXTM-GFCCVEGCSA-N 425.360 2.314 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]2C1 2248403188 BYIMUSUXMTWLFL-RYUDHWBXSA-N 435.355 2.494 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254801926 LMDZRCSWYMXAOQ-QGZVFWFLSA-N 433.358 2.453 30 10 IEEE C[C@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2256034240 HTOBTKFYNSZERT-BLLLJJGKSA-N 427.276 2.461 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2256034375 IGMWRLKABBHNPS-KSSFIOAISA-N 433.358 2.208 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256034376 IGMWRLKABBHNPS-RDTXWAMCSA-N 433.358 2.208 30 10 IEEE Cn1nc(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130848 TUIVNOZLSHNARH-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CCn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267178707 GJHRTTBHBLNZTP-GJZGRUSLSA-N 448.373 2.330 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267186026 DLONQCOFQVLBMR-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267187888 FDOJLCHALKTNDI-CABCVRRESA-N 448.373 2.285 30 10 IEEE CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267194279 OKFNCSFEDKPKGO-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267517169 OJXFFYNFWZEPAO-CABCVRRESA-N 448.373 2.378 30 10 IEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267882499 UFEMXXVGVNOIBO-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2271458686 HPAFSWNZCGUACT-UHFFFAOYSA-N 449.401 2.459 30 10 IEEE COc1cc([N+](=O)[O-])cc(C=Nn2c(S)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 2322123066 OWCUHJWLSVJHHN-LLVKDONJSA-N 434.478 2.186 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCC1CN(C(=O)OC(C)(C)C)C1 2337202571 LNLZJUDBAYPNBT-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CN1C[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@H](NC(=O)OC(C)(C)C)C1 2339262418 WSJUHRHYCHQSHJ-MJGOQNOKSA-N 443.353 2.444 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651527 PBCCPQLYPGYPEM-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1nc(Br)nn1CCOC 2353689258 ZXBSVQHEZVHBQI-OLZOCXBDSA-N 430.347 2.254 30 10 IEEE N#C[C@H](COC(=O)CCCN1CCS(=O)(=O)CC1)Cc1ccc(Br)cc1 18798 QIZHKOCOCIBAFJ-MRXNPFEDSA-N 443.363 2.185 30 10 IEEE O=C(COC(=O)C1CCN(/C=C/C(=O)C(F)(F)F)CC1)Nc1ccc2c(c1)OCCO2 11345169 SXLNNUXNHNOHMD-VMPITWQZSA-N 442.390 2.297 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)ccc1O 58995087 WORDHRCJCVIJJM-LSHDLFTRSA-N 442.501 2.382 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2cc3c(cc2Br)OCCO3)cc1 462397590 VQIBOPWCROPTBX-UHFFFAOYSA-N 439.287 2.449 30 10 IEEE COc1ccc([C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c2nccn2C)cc1 465215398 LMYRHAIRYLAITP-JXFKEZNVSA-N 446.515 2.100 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)CC2)c1C#N 472072317 DMOMRSZUBVIHBE-PMACEKPBSA-N 443.502 2.155 30 10 IEEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 473322912 FALCHVDNQOKBMN-IBGZPJMESA-N 449.511 2.190 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC3CC(N4CCCCC4)C3)n2)c(Cl)c1 484995811 OGZDOCWEYBVJCR-UHFFFAOYSA-N 426.908 2.469 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 504711081 GKWUVAOGKOGRCD-UHFFFAOYSA-N 434.408 2.132 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)CC2)c1 505894464 OXEBZJILZJIMNU-UHFFFAOYSA-N 437.500 2.143 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 508809537 MAVJZDTWRCYZKV-GOSISDBHSA-N 441.923 2.149 30 10 IEEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508813623 PQHLOLNIFORNEO-LJQANCHMSA-N 427.549 2.388 30 10 IEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cc(C)ccc1C 514492467 BXYDGHPNNGCJJG-GOSISDBHSA-N 447.560 2.170 30 10 IEEE CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518720169 IGWSMLJEWKXPJH-UHFFFAOYSA-N 425.554 2.117 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sccc2OC)c1=O 532465031 DMDURXCEOSKSIJ-UHFFFAOYSA-N 432.567 2.279 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)s1 557660635 VJLXHBLNSIIYLL-UHFFFAOYSA-N 446.557 2.176 30 10 IEEE C=CCn1c(COCc2ccccc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 579166776 NCOORXGZBWBKCO-UHFFFAOYSA-N 431.562 2.185 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OC)nc3)c2=O)c1 588893166 XMIUYOXGTMPMRH-UHFFFAOYSA-N 447.516 2.183 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)cc1 608544693 NNTOIVIKKPIDFJ-FQEVSTJZSA-N 431.496 2.375 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2)CC1 609215852 PWUKMOUERFIXLD-UHFFFAOYSA-N 437.525 2.353 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 610810779 IJQWPWCHEBDJDM-OALUTQOASA-N 440.569 2.348 30 10 IEEE N#CCN1CCC(N2C(=O)N[C@H](Cc3c[nH]c4cccc(Br)c34)C2=O)CC1 617679623 TWBLVVOZESQHTK-MRXNPFEDSA-N 430.306 2.381 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c1F 669650678 KKTFZTUGOYDXGG-INIZCTEOSA-N 442.512 2.109 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)[C@H]1CCS(=O)(=O)C1 729335600 SBSXWFLCEFIPMK-FPOVZHCZSA-N 448.544 2.260 30 10 IEEE N#C[C@H]1CN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C1CC1 732677012 QUVPBYZTHDHQHS-AWEZNQCLSA-N 426.399 2.407 30 10 IEEE CCCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(CCC)c2)c1=O 735068416 AHYJKNYJYWPPBQ-UHFFFAOYSA-N 435.553 2.458 30 10 IEEE C#CCN(C(=O)[C@H](CCOC)Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 741214117 VHOXIKRVYQHNAX-SJLPKXTDSA-N 442.375 2.293 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCNC(=O)OCC(F)(F)F)cc1 749619992 GQSOPAAPLZLENP-ZDUSSCGKSA-N 430.408 2.077 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H]1C(=O)O 757445189 ZLQCUJPYEJMSKV-FDFHNCONSA-N 448.475 2.275 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)c(NS(=O)(=O)C(F)F)c1 769632846 CQSXKZXCJQLCTQ-UHFFFAOYSA-N 435.405 2.471 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCN1C1CC1 772221698 JEFKDZGBBOAKON-AWEZNQCLSA-N 433.299 2.316 30 10 IEEE CN1C(=O)N(CC(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)C(=O)C12CCCCC2 786535907 VRBRNTBXSINRTR-INIZCTEOSA-N 430.892 2.262 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 792682596 OHQZWGBOBBQPME-HOCLYGCPSA-N 431.518 2.497 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 792746215 IKAFUWKUXGPMJO-RTBURBONSA-N 443.573 2.056 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC2(O)CCOCC2)C1=O)NC1CC1 795178198 QEPGGIBTQOQCHR-KRWDZBQOSA-N 435.521 2.358 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Oc2cnccn2)CC1 802418388 CUPXGZFZPCIBRS-UHFFFAOYSA-N 435.488 2.213 30 10 IEEE Cc1nnsc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 813561341 HWANVLATNORYNA-HNNXBMFYSA-N 432.575 2.046 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)n1 856590254 YJFKNHQXFFOGKL-QGZVFWFLSA-N 444.435 2.281 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c(C)c1 1083939191 FSIOMCMSWIXUEY-UHFFFAOYSA-N 443.537 2.263 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1OC 1084325541 UTDRAQIOLNHQNT-UHFFFAOYSA-N 444.521 2.208 30 10 IEEE CCc1ccc(C(=O)NCc2ccc(CC#N)cc2)cc1S(=O)(=O)N1CCOCC1 1130369448 GGNJRGZEEAVQTA-UHFFFAOYSA-N 427.526 2.266 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)ccc1F 1133188535 RPFQTSDDXIIKCK-HXUWFJFHSA-N 433.461 2.497 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(OCC(=O)N(C)C)c3)n[nH]2)c1C 1136297428 WQVCYCYYWBLBQL-UHFFFAOYSA-N 436.516 2.473 30 10 IEEE C#CC[C@@]1(C(=O)N(C)CCCn2cnc3c(N)ncnc32)CCCN1C(=O)OC(C)(C)C 1142513391 CDDHKORTEJCSRY-QFIPXVFZSA-N 441.536 2.050 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1183507988 ISGYGOCPJFBTSZ-MSOLQXFVSA-N 431.514 2.032 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCCC1=O 1286409326 KISZABXGGKVFIN-NRFANRHFSA-N 433.512 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCCC1 1286415378 JYGVVYXGEKVKMI-LJQANCHMSA-N 436.585 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)OCCc2sccc21 1286415464 NTCILZAFLLNLCX-QFIPXVFZSA-N 425.558 2.429 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)n1 1286471466 NAAJTIXUOCRYFB-UHFFFAOYSA-N 433.516 2.070 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1286762090 ADPIGBXEEHCGMA-WMZHIEFXSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1286786445 SAYIWVQGAXWJOP-LJQANCHMSA-N 440.548 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286819895 YZLPYCCAEKJTLR-QGZVFWFLSA-N 436.500 2.286 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCOC2)C1 1286824219 XKDUARDEODHJBJ-QFIPXVFZSA-N 446.573 2.383 30 10 IEEE CC(C)c1nnc(N2CCC(CN(C)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1287196436 KRKVEKHVUWJGHX-LSDHQDQOSA-N 443.596 2.485 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1290816834 REAXKHFZMTXSRP-CYBMUJFWSA-N 427.509 2.377 30 10 IEEE COC(=O)[C@@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccncc1 1293051098 FQKBOEXXTUWIOZ-LJQANCHMSA-N 429.517 2.180 30 10 IEEE CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1293594194 IHQUGKQEYUXPTM-ROUUACIJSA-N 428.537 2.232 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)C1=O 1296840421 AYANVTBCYHDMCY-AWEZNQCLSA-N 436.459 2.216 30 10 IEEE Cc1cc(O)nc(C(C)(C)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1300179581 LIDTXEJOOCEIDW-UHFFFAOYSA-N 445.545 2.141 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300403385 ITZGLVOCDCHANE-KRWDZBQOSA-N 426.546 2.414 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1300422078 DVLAHAIBHSNOSA-UHFFFAOYSA-N 425.489 2.358 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OC)c(OC)c1 1300532389 URFNZSUUARIKLE-MRXNPFEDSA-N 427.892 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)NC(C)C 1300572215 RMYMDGIKQAKUKR-UHFFFAOYSA-N 433.965 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC)N2CCCC2)CC1 1300726326 KIMJAZWHEYSRGK-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1300805953 LXFDXOXMIZUCTE-JBYIUTFZSA-N 433.622 2.293 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1300992034 ZVZKEXSXEQNDEE-UHFFFAOYSA-N 449.502 2.035 30 10 IEEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1301009783 CVCYSBOFKKPHQN-HXUWFJFHSA-N 440.573 2.476 30 10 IEEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301062006 ZZLUMOPAEQDAKE-RBUKOAKNSA-N 425.917 2.102 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C(C)C)N1CCOCC1 1301304781 INJQIDCIIZWIMH-QGZVFWFLSA-N 432.594 2.249 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1301351507 UXVLLLWINIBWKC-ROUUACIJSA-N 440.523 2.476 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@H]1C 1301356577 BQWUQSNTRBBMKO-QGZVFWFLSA-N 432.594 2.391 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1301967433 DCTIUEXMCVNQLL-KZNAEPCWSA-N 430.578 2.301 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCc1cnn(C)c1 1302293350 LBULQMOCKHEIPQ-IPJJNNNSSA-N 427.553 2.498 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1305238026 HXKPKKZTHVWTCK-NVXWUHKLSA-N 447.586 2.105 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 1306448484 FNGFPAUOJBIYDH-BVPXEZJJSA-N 441.532 2.272 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nc(C)c(C)s1 1316205518 GOFYFKQCTYJDSA-QAPCUYQASA-N 445.593 2.300 30 10 IEEE N#C[C@H]1CN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H]2CCOC2)CCN1C1CC1 1329603931 SINZZMMFZBBKMN-RXVVDRJESA-N 431.544 2.494 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1353676807 DIFHMKWLEZYKGI-OAHLLOKOSA-N 430.505 2.009 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1358885653 NVJBPJNQJCCVPZ-OAHLLOKOSA-N 430.516 2.223 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCCOC)CC1 1358922732 PBFNGWRXDMRCNR-UHFFFAOYSA-N 446.573 2.394 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1358933461 URDAEARRLNKACP-IRXDYDNUSA-N 430.553 2.163 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@](C)(O)c1ccccc1 1358968419 LEMIQQRAFZJGCX-DEOSSOPVSA-N 428.496 2.296 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1COCCO1 1359015575 XYMULSRFJWNKEJ-HXUWFJFHSA-N 441.507 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2ccsc2)CC1 1359046092 DLSBMHMAUGANGL-JOCHJYFZSA-N 427.574 2.166 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(C(=O)NCC)CCC1 1359063118 HCSQYECUTOXANQ-JOCHJYFZSA-N 428.581 2.495 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359224754 BHVDRQVGKFMDRU-SFHVURJKSA-N 445.531 2.310 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359330585 WZXCTCZXBWCMRY-MSOLQXFVSA-N 445.589 2.227 30 10 IEEE CC(=O)N1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1359366567 LESWGMLOFHPQAQ-HXUWFJFHSA-N 431.541 2.334 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)cc1 1437478888 JULXNZFGCNXMSH-WBVHZDCISA-N 439.434 2.481 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc(Br)cc1 1441044082 BDNHPEZATAMWKY-HNNXBMFYSA-N 426.267 2.248 30 10 IEEE N#Cc1cn(CC(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c(=O)nc1O 1445165218 YNUSZZOTJLSHLH-UHFFFAOYSA-N 431.496 2.029 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 1447707312 FWKDIFJHIQQAPY-NRFANRHFSA-N 442.560 2.278 30 10 IEEE C=CCC1(NC(=O)CNC(=O)c2ccccc2I)CCOCC1 1452997229 LNYIUHAWMGWWBL-UHFFFAOYSA-N 428.270 2.263 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC(F)(F)C3(O)CCCCC3)C2=O)cc1 1457053409 SLOYXWWQAGGTBE-MRXNPFEDSA-N 434.443 2.210 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 1464226737 IHMQHNLLEZQGEQ-LJQANCHMSA-N 433.534 2.075 30 10 IEEE C#C[C@H]1COCCN1C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1468880644 CAGPVGDLPAZBTA-ICSRJNTNSA-N 432.567 2.100 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1)[C@@H]1CCCO1 1469867852 LUGLFMSAZOXTMP-QRFRQXIXSA-N 433.936 2.450 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C#N)C3)[nH]n2)CC1 1470407924 ZGDMBOOXBOHBLV-GVDBMIGSSA-N 428.537 2.332 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)c1C#N 1479185257 DNHXTGJGJXXDQD-UHFFFAOYSA-N 439.589 2.107 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)NC(C)C 1499046117 JFGDELDVQBOEJZ-HXUWFJFHSA-N 444.605 2.499 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H](OC)C(F)(F)F)CCOC1 1502682338 ZBBXYSBMQVAUFH-XOKHGSTOSA-N 435.422 2.340 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCCC1(C)C 1503069874 SWPOVRFNVNKTGV-QFIPXVFZSA-N 426.521 2.291 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507577666 RVVXCTQVDPAJCR-UHFFFAOYSA-N 428.500 2.355 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507626426 NXLYYWPYVPEOQL-ICSRJNTNSA-N 442.585 2.410 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631518 FEAIMQUHUGOYBO-QUCCMNQESA-N 444.557 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC(F)(F)F 1507664924 QRHUFFVLZTWFOB-UHFFFAOYSA-N 444.421 2.310 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1507784207 HJJUXAAZVQVERG-CJNGLKHVSA-N 433.372 2.094 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCn1cccn1 1507810071 ZDZALLCNLPQFKJ-HAGHYFMRSA-N 430.553 2.316 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C)C1CC1 1507994960 BQIYWYUJWCYOFX-MRXNPFEDSA-N 430.578 2.145 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1508012662 HTNPKGNJGSRYDA-VQTJNVASSA-N 446.596 2.369 30 10 IEEE C=CCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1508066376 POFHHRSKUFPDQW-QHCPKHFHSA-N 432.613 2.111 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(OCCN(C)C)cc1 1513871713 QMALAPJHJBULIP-UHFFFAOYSA-N 447.543 2.364 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4ncc(F)cn4)CC3)n2CCCCCO)c1 1521074913 DNYXPZLLKWNGBF-UHFFFAOYSA-N 436.495 2.235 30 10 IEEE C#C[C@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12)C1CCOCC1 1529522452 YAMLOZHXOUFDER-IBGZPJMESA-N 445.541 2.129 30 10 IEEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 1538570803 MVDVEJIBGVHRKF-VQTJNVASSA-N 440.481 2.103 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1539111022 LBNFNBVLGGNPHL-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1539116780 RZFLIOADBMKMRR-KRWDZBQOSA-N 448.527 2.478 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539211774 OPEYVRKHRYFJKP-RBUKOAKNSA-N 426.542 2.225 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1539230948 MTYUUJIPBKOEOU-LJQANCHMSA-N 446.573 2.277 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC2(O)CCC2)CC1 1539484662 YIKANBYZISZFMK-UHFFFAOYSA-N 427.574 2.201 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1539509961 BNOQSERBHFJGDN-UHFFFAOYSA-N 448.531 2.439 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539592280 AOTTXMGKQMOFJO-GOSISDBHSA-N 447.341 2.073 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1539735025 IBARILROXDLORE-UHFFFAOYSA-N 435.532 2.403 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2OC)CC1 1539875266 VKSHOHMXNLLZLP-AWEZNQCLSA-N 437.541 2.487 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539900542 PNALCDFTDNLXFJ-IBGZPJMESA-N 431.629 2.235 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 1540891896 BBVSSXRBBWXBTD-QWHCGFSZSA-N 440.513 2.215 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1547231461 FCLOSSMYGDYGDT-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)CCOCC1 1552807308 DAFULVIVTSGUQP-UHFFFAOYSA-N 440.548 2.066 30 10 IEEE COc1cccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)c1 1555032514 AHDVQNKPVAGVHK-SJORKVTESA-N 426.521 2.472 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1555322329 JDVZAVXAXHYDTO-UHFFFAOYSA-N 434.504 2.193 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)C1 1555700990 YDDJUCQUMBQTGQ-QGZVFWFLSA-N 425.518 2.267 30 10 IEEE COC1(OC)CC2(CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@@H]2C(C)C)C1 1557260825 AHHAJVHZOQNYCD-GOSISDBHSA-N 435.546 2.128 30 10 IEEE C[C@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1558715846 CFWFIPRKWKLMHE-FMKPAKJESA-N 435.546 2.130 30 10 IEEE C#CCn1cc(CNC(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)cn1 1568549002 RQTGYOGPFCDIPC-AWEZNQCLSA-N 445.317 2.063 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]([C@@H]3CCCO3)C3(CO)CCC3)ccc2c1=O 1570781866 AJJHIWNXOIYBIS-ZWKOTPCHSA-N 429.542 2.311 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1587562386 ONLQDPNRDKYDPF-RRFJBIMHSA-N 439.969 2.467 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)N1CCOCC1 1587667739 MDTHUJXLJSHTHL-IBGZPJMESA-N 425.533 2.181 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1588084378 QQVAHPHHTQZFEL-QGZVFWFLSA-N 438.557 2.075 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCCN1CCCC1 1589150766 KROQWZJFHJDPKH-GHTZIAJQSA-N 436.626 2.147 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1593931856 BAQHCRMSAZWRHB-UZLBHIALSA-N 425.961 2.376 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1595544579 KPHGKWHBAYKUDH-QZTJIDSGSA-N 446.596 2.201 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1595593883 JQZUNCTVTNHEHF-INIZCTEOSA-N 429.521 2.172 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1596530330 ACMAVIBZKVISNQ-PGRDOPGGSA-N 440.573 2.037 30 10 IEEE CCc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CCC(C)(C)O 1614023528 AFHTUPNTGZIVDK-UHFFFAOYSA-N 425.493 2.448 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1618528948 MEDXEIPPOUSKMN-FGZHOGPDSA-N 432.569 2.221 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1619702443 FAEYELHANCEELJ-XXBNENTESA-N 441.532 2.397 30 10 IEEE Cn1cc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c(-c2ccc(C#N)cc2)n1 1622016999 FDIRQSCJRYJPIP-UHFFFAOYSA-N 439.522 2.351 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCS(=O)(=O)C2CCOCC2)cc1 1622964604 JTRNWZGLJZXQPV-UHFFFAOYSA-N 435.546 2.216 30 10 IEEE COc1cccc(/C=C(/C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)n2nnnc2C)c1 1626962193 AYFMRBGQLSIDFM-WCCCRJGXSA-N 430.468 2.460 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H](c1ccc(F)cc1)c1ncc[nH]1 1628204244 OQAXZMJUPXPEGX-IFXJQAMLSA-N 441.488 2.335 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1Cc1ccc(OC)cc1)c1cc[nH]n1 1628653882 WAUOFQYILBSLCQ-QGZVFWFLSA-N 428.489 2.326 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)cc1 1637417453 VVHIEZOADPWUMO-UHFFFAOYSA-N 438.546 2.162 30 10 IEEE C#Cc1ccc(C(=O)N2CCC(N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CC2)cn1 1638936281 YPRAQAWMRSFXAQ-MOPGFXCFSA-N 440.500 2.108 30 10 IEEE CC1(C)[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H]1N1CCOCC1 1639629815 CPCSDXZMYGDLBD-RTBURBONSA-N 447.377 2.372 30 10 IEEE C#C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1641517631 MFPCLGBQDYFQCI-CYBMUJFWSA-N 438.259 2.109 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(C)[C@@H]3CCC[C@H]3C#N)CC2=O)cc1 1643437907 HQXILFXILNMJDY-SQGPQFPESA-N 446.573 2.221 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)s1 1644987589 ANDQTGCXILRSHU-MRXNPFEDSA-N 449.554 2.239 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C(=O)OC(C)(C)C)C1 1653766076 HBZUZVZRPRKZIV-MRXNPFEDSA-N 435.546 2.084 30 10 IEEE COc1cc(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc(OC)c1OC 1658172692 WUJRNCBXZCMWEF-UHFFFAOYSA-N 449.507 2.134 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1670882206 GUCOQQSNTJLDDB-UHFFFAOYSA-N 429.514 2.250 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H](c4ccccc4)[C@](F)(CO)C3)C2=O)cc1 1682022360 YXBQMRXJAMTVSC-AWRGLXIESA-N 436.487 2.169 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1683289470 WOACQWSVTVMUNL-KLOMGHIOSA-N 434.558 2.372 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)C2)n1 1687235558 IEBUPSBYZXJADM-QHCPKHFHSA-N 438.532 2.252 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1689885685 REJUKWWKSSTUCK-UHFFFAOYSA-N 437.470 2.377 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1689924584 MCQGMXVERINOCM-UHFFFAOYSA-N 433.560 2.108 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1689989352 DVFHQMOYYPTGLA-OALUTQOASA-N 442.585 2.497 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCc2ccccc21 1690003702 VDCOTAJWLXLGOQ-CJFMBICVSA-N 433.556 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)NCC(F)(F)F 1690013713 ZNSNLHOVJYNJQB-UHFFFAOYSA-N 442.401 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1COc2ccccc2O1 1690052825 QXHOQNDZQYLILE-HXUWFJFHSA-N 430.512 2.443 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 1690229666 BRQKBNKQSMTACD-UHFFFAOYSA-N 434.338 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(CCOC)no1 1690244938 AYQYUNDVDWTVNL-UWVAXJGDSA-N 446.552 2.362 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690321868 NMPWVCMMDKGDPD-IEBWSBKVSA-N 443.552 2.120 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(OC(C)C)c1 1690654998 DAOMYPJILGNBMR-UHFFFAOYSA-N 440.548 2.240 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(=C)CC1 1690661911 LACAPGACAIEDDW-UHFFFAOYSA-N 427.505 2.430 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690745202 ZZXGTFUJWQLLSZ-SFHVURJKSA-N 442.589 2.449 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1695583926 MHFZQRYTVFGENZ-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(=O)OC(C)(C)C 1695747733 AXNILDCDMQYPSY-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1696512838 DJTRLUANMYNSNQ-QPHCHLROSA-N 442.589 2.326 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1 1698084868 BUQYXEJSZKLWTR-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCC)CC1 1705508075 IYGXMAYPZGYUPJ-UHFFFAOYSA-N 437.548 2.472 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705520315 PGACWLDHBITWPV-UHFFFAOYSA-N 430.553 2.261 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1705608669 ZTHOZMRKIBRRHK-QHCPKHFHSA-N 427.549 2.267 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)C 1705668545 OMJAKSQYMVSJHL-TWFHAPMSSA-N 437.610 2.332 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705836769 FPCBHDOBSGAACT-LAUBAEHRSA-N 432.546 2.309 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1705862494 MJYBIHARFFRRRG-GCJKJVERSA-N 429.496 2.366 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705908298 MXLTXNCERQDKNY-AEFFLSMTSA-N 429.496 2.304 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccc[nH]3)nnc2N(CCC#N)CCC(C)C)CC1 1706002432 DLFJZNXCHYOQKL-UHFFFAOYSA-N 426.569 2.203 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2([S@@](C)=O)CC2)CCOC1 1706669838 VOSGXYFSEFVRCQ-URAOTHONSA-N 435.594 2.360 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1712090976 DLBCQFJHYFDCOV-SZVBFZGTSA-N 447.561 2.138 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)OC 1712152505 DFSOQLRUBWCKEC-OSAZLGQLSA-N 441.532 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CC1 1722281581 VEROCKMNBMDIPU-LLVKDONJSA-N 426.340 2.071 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@H](C)CC 1722296258 OIDSXHPVGXZJJC-MSOLQXFVSA-N 438.580 2.215 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1722366532 RLSRCEHXLWOTAF-IBGZPJMESA-N 445.589 2.096 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCN(C)C1 1722422389 RFBGBRKNVXMMQJ-XXBNENTESA-N 427.524 2.018 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1722448546 ZCZWFWBITXCBTG-OAQYLSRUSA-N 438.576 2.118 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1722511484 ZTBLCXKBBBCJAO-PXNSSMCTSA-N 433.578 2.116 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722629062 MDSVJBAPQHZZOK-UHFFFAOYSA-N 425.599 2.075 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722690553 KVXZYJFCSVNESN-KRWDZBQOSA-N 427.553 2.214 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)NCc1ccco1 1726404097 USEDDXJSFVNULP-UHFFFAOYSA-N 439.907 2.348 30 10 IEEE C[C@@H]1COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1726753256 NIKWWONWZGCBKQ-QVKFZJNVSA-N 434.466 2.310 30 10 IEEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1729233979 QAPQOJFFKPTINB-WWOZWPLTSA-N 431.562 2.217 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)NC 1740537997 JGIOLFXVTKDLSI-INIZCTEOSA-N 440.573 2.360 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740630908 GIQOINYHVRFUMK-DEOSSOPVSA-N 445.527 2.225 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC(F)(F)C1(OC)CCOCC1 1740687879 NLODPHQSBOREIE-MRXNPFEDSA-N 428.480 2.047 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@@H]2COCCO2)CC1 1740689646 CCMXYHIGDIZTRK-RTBURBONSA-N 443.523 2.118 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1740691959 FCGDPPIQUAGQED-UHFFFAOYSA-N 449.559 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1740704203 JWGLPGBXVLQKKX-SFTDATJTSA-N 434.544 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1740722849 GHWBFMCIANUPGN-AUSIDOKSSA-N 428.581 2.007 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)C1 1740751724 OFAADLFARYXQHN-VMNICZJSSA-N 429.562 2.054 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740790546 JBEYEJUOAWMZJT-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740875661 HOSQOYYSOWJQCJ-UXHICEINSA-N 430.597 2.271 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1740954147 CWWUBAGRAVXZIP-CQSZACIVSA-N 448.321 2.009 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC=C(C)C)CCO1 1741112072 VSMAAFMQCKREAB-OAQYLSRUSA-N 438.532 2.426 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1744697614 MVXQAGCXCDJGHN-INIZCTEOSA-N 448.497 2.318 30 10 IEEE CNC(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1748273531 HRVIPINUPVKTMT-KRWDZBQOSA-N 445.568 2.269 30 10 IEEE COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(C#N)o2)c(OC)c1 1748606802 GENNGCGIPCINIF-UHFFFAOYSA-N 438.488 2.436 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748764082 HIFAWHJTKKPQLS-IAGOWNOFSA-N 442.564 2.131 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748810601 YEAWBGCGHLEQTO-FXAWDEMLSA-N 444.557 2.005 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)Cc2ccccc2C1 1748962748 PKSNYQPBFQMRQK-FQEVSTJZSA-N 442.585 2.071 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cccc(O)c2)n1 1748971054 BMCAVIXYNSSXGI-LJQANCHMSA-N 436.516 2.019 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1749689271 GJFIGESGOLMVAJ-WZONZLPQSA-N 443.548 2.413 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(C)(C)O)cc2)C1 1749716871 DKASXRUPGCZQDA-HXUWFJFHSA-N 439.560 2.458 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCc2ccccc21 1749953073 GZZAMVOARCRHNM-URZJWIJPSA-N 429.496 2.278 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1CCCCO1 1750027339 JZVUUNWPTVIQDS-RLLQIKCJSA-N 432.569 2.138 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCC(C)(C)O)CC1 1760271302 TVYSGASUDJVIJR-UHFFFAOYSA-N 439.560 2.026 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCNS(=O)(=O)CC 1760289356 MAPGFKUQPXWOIS-OAQYLSRUSA-N 431.562 2.275 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCSC1 1760494214 JRDBQNQBIKIXJS-FQEVSTJZSA-N 448.618 2.285 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760524759 IRDRAZYRBMPYEN-IBGZPJMESA-N 438.576 2.173 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)cc1 1760531285 JRAYTZAAJIIKMO-XLIONFOSSA-N 425.533 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2snnc2C)C1 1760550115 SFICJGMBPWYSOK-AWEZNQCLSA-N 445.574 2.259 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCC2)C1 1760793814 PKBGGMMAWYAALA-BBWFWOEESA-N 446.552 2.083 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCN2CCOCC2)CCOC1 1761283609 QPQTZQFQWICBKQ-QHCPKHFHSA-N 446.596 2.171 30 10 IEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1763856665 DMJHFZHNTSSLSM-QFBILLFUSA-N 446.577 2.102 30 10 IEEE CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1764253194 BIOUELSJOXGNJD-OALUTQOASA-N 425.537 2.190 30 10 IEEE CCc1nnc(N(C)CCOc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1764740364 ZWWXNUSYJCVEFA-VXPUYCOJSA-N 428.468 2.021 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1767420412 CBFUOMARCAGCGG-SFHVURJKSA-N 442.545 2.193 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C#N)o1 1767446103 GDAMCVXPXFIVLG-OAHLLOKOSA-N 442.277 2.288 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1767625135 APQIDRIJPXXXSC-JPYJTQIMSA-N 438.532 2.118 30 10 IEEE CN(C)CCOCCn1c(C2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1768520343 MXULZEBVXAKJJM-UHFFFAOYSA-N 437.592 2.318 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(F)(F)CO1 1768658989 JYWLGFIKYZPHOE-KRWDZBQOSA-N 430.459 2.446 30 10 IEEE CS(=O)(=O)c1ncc(Br)c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)n1 1848962518 AFKYMSJQOZQYAF-UHFFFAOYSA-N 449.330 2.340 30 10 IEEE CN1CC[C@@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccc(F)cc2)C1 1852536463 IXNHVRTZJOKVFI-XLIONFOSSA-N 446.500 2.414 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 1853547265 DHPANOREEXHKPJ-GOSISDBHSA-N 440.548 2.446 30 10 IEEE N#Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCCS3)C2)CC1 1857249570 SXGVMWPPCQUBSW-HKUYNNGSSA-N 428.558 2.315 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC)cn1CCCN1CCOCC1 1870330267 CCZJYXSJIKWQIG-UHFFFAOYSA-N 447.576 2.077 30 10 IEEE C#CCOc1cn(Cc2ccccc2F)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870561542 RIDYCPRZBYQHEC-UHFFFAOYSA-N 433.487 2.160 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCOCC)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541497 BDODJYURBSUIKD-UHFFFAOYSA-N 428.537 2.493 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(OC)c(OC)c2)cc2c(NCCOCCO)ncnc21 1873632167 PXMNXHZGTLCNNY-UHFFFAOYSA-N 441.488 2.308 30 10 IEEE CCn1cc(C(=O)NCCC(=O)Nc2ccc(C#N)cc2)c(=O)c2cc3c(cc21)OCO3 1873864506 MIBBKDJMAUSSJC-UHFFFAOYSA-N 432.436 2.380 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(F)cc1F 1874434895 CQHGYCRIIUMFRN-QPJQQBGISA-N 425.461 2.366 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874474614 LQJOOWLFNMEUNJ-OEAKJJBVSA-N 425.514 2.463 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)s1 1889550996 IABPPJFPBUHKEM-UHFFFAOYSA-N 439.647 2.121 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891143703 LXFHNPBJPLVRFL-KRWDZBQOSA-N 425.514 2.173 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 1908272789 VPFPMBNKSJPACT-AQNXPRMDSA-N 428.533 2.247 30 10 IEEE C=CC1(NC(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022844477 WHAOCEJCYMNORD-QFIPXVFZSA-N 439.553 2.430 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229102303 VVKCYYJDVXGMMI-CVEARBPZSA-N 425.323 2.385 30 10 IEEE C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247922659 LKBYDZBZHLGCBK-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCF)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248403463 GTNUGXIXVLEEHW-GFCCVEGCSA-N 443.350 2.311 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255596348 MNVQGIFAKOMCAY-NRFANRHFSA-N 434.346 2.228 30 10 IEEE COCC(C)(C)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255612123 MLURPYDQEDIIBN-UHFFFAOYSA-N 428.342 2.182 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630626 MUPNSMMVPHPLIO-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2255651410 JFNTZYQJVKQLIA-HOCLYGCPSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2267103935 PGDKRSCLUVWNCQ-UHFFFAOYSA-N 446.353 2.257 30 10 IEEE Cc1ccnc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267155857 ZRVMMKGEKJKMBV-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NCCCOCCOCc3ccccc3)nc2)OC1(C)C 2267170553 XEGJPUPAFZEWBD-UHFFFAOYSA-N 441.337 2.129 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267198200 VEBSATYFFORAET-HIFRSBDPSA-N 448.373 2.378 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268604795 COIXFSWUQOLJJD-SFHVURJKSA-N 448.369 2.484 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268630045 FPUBFWQMGAUQDI-CVEARBPZSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)O 2268631573 ZZKLAIVMAQXWOB-QFIPXVFZSA-N 449.357 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268646611 KLUWQOMKKYYCSI-OYHNWAKOSA-N 447.341 2.249 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268651029 MXMVTEFTBPAEMA-VKJFTORMSA-N 448.369 2.437 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2269064572 ZZXNAOJTSPOOCV-UHFFFAOYSA-N 441.289 2.322 30 10 IEEE CCc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 2322659666 MIZOLBDMOWEUCZ-CQSZACIVSA-N 439.335 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2327380751 VQKCVRUYBUTCSE-CQSZACIVSA-N 434.346 2.227 30 10 IEEE CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2328977839 GAZHNEFIQJNNRF-ZDUSSCGKSA-N 446.489 2.286 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1 20835205 BYJXFWXDSHOXGP-WSDLNYQXSA-N 445.530 2.019 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 22013924 PSKCWCVMLXBWHD-UHFFFAOYSA-N 440.592 2.340 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 110026488 FHMHZEGWRZEEQK-LEWJYISDSA-N 434.606 2.380 30 10 IEEE N#CCC(=O)Nc1cccc(CNC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 219741671 GALFKCPIHCAUAF-UHFFFAOYSA-N 449.423 2.140 30 10 IEEE CCn1c(NN=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 254381297 KMZWXZPDRSTDCY-SPMXEFGYSA-N 431.840 2.039 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 446491851 CAYLUEJXMMMGBP-UHFFFAOYSA-N 433.468 2.239 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 464864994 VIPBUIOMOQLXJQ-UHFFFAOYSA-N 448.523 2.276 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@@H]1CCCO1 477440275 RUVZUNFVMQFOLE-KGLIPLIRSA-N 432.567 2.277 30 10 IEEE COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)Cc1ccc(C#N)cc1F 481029104 WSSIZMOTWSFEIL-UHFFFAOYSA-N 436.461 2.220 30 10 IEEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 482303571 MTNPKUUZPFUWLC-GOSISDBHSA-N 447.561 2.157 30 10 IEEE N#Cc1cccc(OCc2ccoc2C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 513561417 WPXUBXZPWWDOSO-UHFFFAOYSA-N 429.498 2.417 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 513772343 XQOOMNWLVXDORX-HNNXBMFYSA-N 436.534 2.262 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523306429 LDOQJDHGZAWGHG-UHFFFAOYSA-N 443.550 2.443 30 10 IEEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534136469 BQCMWYBFUNXKCX-KRWDZBQOSA-N 440.887 2.471 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)CC1 534382515 YBVVZHTUHPYNTF-AWEZNQCLSA-N 441.345 2.149 30 10 IEEE CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537247475 FJNAVTPSCAVQEO-QUCCMNQESA-N 445.633 2.330 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 549692247 GNZXYUXXERPYEM-KRWDZBQOSA-N 444.517 2.194 30 10 IEEE N#CC1(CC(=O)N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)CC1 590251913 YXIQZWIIHHKWEB-UHFFFAOYSA-N 440.363 2.061 30 10 IEEE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1F 611002623 LIIVPSVJOKKPQN-UHFFFAOYSA-N 429.470 2.465 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOC 726575229 SAYSGTAXNYZYNZ-GFCCVEGCSA-N 449.916 2.236 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)c1 730140180 DMYVTNJIAVFIID-GOSISDBHSA-N 429.546 2.491 30 10 IEEE C[C@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 752614719 MECBRQBCYMUKLD-INIZCTEOSA-N 429.498 2.140 30 10 IEEE C[C@@H](C#N)CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C1CC1 754370050 AZAYFODTWQNZPR-INIZCTEOSA-N 431.562 2.500 30 10 IEEE COc1ccc([C@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)NC(C)=O)cc1 754380754 WKHSIGFFFBUWEQ-HKUYNNGSSA-N 430.505 2.234 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2C[C@H]3CC[C@H]2C3)cn1 757914775 GIQYGZQFHUNHAG-BMFAXAFESA-N 446.621 2.339 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F 761105896 OXVTUZRZIWGRQY-FQEVSTJZSA-N 438.419 2.258 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)=NO1 764014061 FXIIUYRFVALHAO-MJGOQNOKSA-N 427.505 2.065 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(CCC#N)Cc2cccnc2)C1=O 771345748 RDPGRKYPERLSTD-HSZRJFAPSA-N 435.484 2.108 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)c3cccc(F)c3)sc(=Cc3ccoc3)c2=O)CC1 772302359 IKYWGUAJHAVHPT-UHFFFAOYSA-N 437.496 2.295 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCCN3CCC[C@@H]3C(=O)OC(C)(C)C)cc2C1=O 774763395 NEMDWWOXERHMAR-GOSISDBHSA-N 428.485 2.432 30 10 IEEE C#CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1ccccc1 775404915 QXBHYVFYNLFIAK-SCFJIEIRSA-N 437.565 2.486 30 10 IEEE C#CCCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 780256361 GNFDYWKHLIKXFS-QGOAFFKASA-N 432.542 2.258 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780917573 JZJWQHSKQDDZJY-OAQYLSRUSA-N 427.526 2.170 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 786841357 IOEZAUYWVIXKFI-MRXNPFEDSA-N 431.963 2.330 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 788695279 IBMIZZNDGSKPQP-UHFFFAOYSA-N 426.420 2.244 30 10 IEEE Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2=O)c(C)c1 788949627 HYNVZMXLELVCNP-MRXNPFEDSA-N 428.470 2.476 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCn2c(S)nnc2-c2cccc(C)c2)n1 790104769 WFAOFRDZKUIDKY-UHFFFAOYSA-N 438.557 2.437 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cnnn2C)csc1=Nc1ccccc1C#N 803182327 ZEDXSLHHJQULLZ-UHFFFAOYSA-N 445.574 2.121 30 10 IEEE C#C[C@H](NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1F 804416327 CSOQBSZDGVAZOR-INIZCTEOSA-N 428.851 2.091 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N 1083980055 GZZWULREMLCZRT-UHFFFAOYSA-N 425.518 2.163 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cncc(N3CCCC3=O)c2)cc1 1125136932 KLTAUIIJCKOFJJ-LYBHJNIJSA-N 441.513 2.274 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 1128438192 ZTPWZXPJRVPCMO-UHFFFAOYSA-N 429.318 2.296 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1130215098 WTZQKWVGFUISBC-LJQANCHMSA-N 426.454 2.162 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1141805121 ZKBABNQHFJLUEH-SJLPKXTDSA-N 449.573 2.221 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)[C@@H](O)C(C)C)nnc12 1161466998 BEVRPFLTTNXJJW-QAPCUYQASA-N 429.546 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)c1[nH]cnc1CCN2C(=O)[C@H](O)c1ccc(C#N)cc1 1167473800 QCAITTWJQOIIBW-JPYJTQIMSA-N 437.500 2.236 30 10 IEEE COc1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1OC 1178591342 MWATYIMZIMQREO-ZDUSSCGKSA-N 431.514 2.146 30 10 IEEE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CC[C@@](C)(C#N)C2)c(O)nc1=O 1196322482 NEWQBTLWOSBLJZ-QHCPKHFHSA-N 438.532 2.100 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)c1 1212180015 QOEKKHGHDNJVDO-OAQYLSRUSA-N 444.553 2.411 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286362865 GSZXMIQVKUXNOG-QHCPKHFHSA-N 443.523 2.024 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](COC)OC)CC1 1286472816 LQYXJZIRMUCBES-IBGZPJMESA-N 434.544 2.218 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286638593 GNUQWSQTQSMHNC-QHCPKHFHSA-N 432.613 2.113 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286784671 POJLJDIKMMTVKH-HNNXBMFYSA-N 447.465 2.192 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccco2)C1 1286802940 FENISCQNEOYPFI-WTNAPCKOSA-N 432.521 2.212 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CC)C1 1286807913 HIIJZNRXUZEULF-KKSFZXQISA-N 448.593 2.181 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1288037532 HLFIRRMBRFFCED-UHFFFAOYSA-N 432.532 2.434 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)c3ccc(Br)cc3C#N)c2)NC(=O)NC1=O 1292584714 KVOMTZGGOMKGOL-IBGZPJMESA-N 427.258 2.305 30 10 IEEE COC(=O)[C@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccncc1 1293051097 FQKBOEXXTUWIOZ-IBGZPJMESA-N 429.517 2.180 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(-c3nc[nH]n3)cc2)CCOC1 1296525181 ARFUHHREHVXWAA-OPAMFIHVSA-N 436.520 2.359 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2COC(=O)NCCC)s1 1297528686 VUZQIHGIZSYJSM-HNNXBMFYSA-N 443.591 2.272 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300302987 GVWDZBCJMBNJSJ-LUKYLMHMSA-N 430.553 2.333 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)noc1C 1300657010 DASBZOKRCYTZDB-UHFFFAOYSA-N 443.529 2.088 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)CCCO2)CC1 1300686176 YBHYGBOYJFOIPC-FQEVSTJZSA-N 447.381 2.370 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC#C)CC1 1300732250 LCCMBPAMZPRIJT-UHFFFAOYSA-N 436.585 2.269 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1300766482 DMPHOSIZEDPLAD-UHFFFAOYSA-N 434.573 2.055 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1301149702 DRFYUNGVACNMHF-OAHLLOKOSA-N 437.548 2.494 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(c2cccc(OC)c2)CC1 1301501464 XHXVDXRISWEYBY-IBGZPJMESA-N 425.533 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CC)C1 1301593724 SSJVFRNFPZSSNQ-OAHLLOKOSA-N 437.591 2.107 30 10 IEEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C2CC2)O1 1305188219 NLCVHBRPIVCKTG-LFKKDODXSA-N 442.564 2.397 30 10 IEEE COC(=O)[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1ccnn1C 1307872406 QUPSNDIEFVJLKX-NRFANRHFSA-N 434.500 2.201 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCCOc2ccc(I)cc2)C1 1312573100 QNUIHGJLXANTKI-HNNXBMFYSA-N 427.286 2.067 30 10 IEEE COCCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316052025 JEEFTHYZGSEQQP-CTNGQTDRSA-N 441.532 2.364 30 10 IEEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1316364420 AIEDOPXTAPXBHT-CVOJIUGNSA-N 429.546 2.175 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1323855723 ZAUHOTBCEWJYDC-AWEZNQCLSA-N 446.367 2.022 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C1 1342228618 LYJRMSHUZJRJIO-KZNAEPCWSA-N 442.603 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1358869832 XTLNOFHRGYDBER-CYBMUJFWSA-N 428.484 2.034 30 10 IEEE C#CCCCn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1358936531 PRRBIZAYUOCLCG-OAQYLSRUSA-N 445.593 2.220 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358960718 KIQCGNURTRJWFK-MOPGFXCFSA-N 444.605 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cn2ccccc2n1 1358985728 GIIGPSKVCMYNSK-XMMPIXPASA-N 432.528 2.284 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(C)CN(C)C1=O 1359018930 GUEBSYAKJRUMRG-KSFYIVLOSA-N 429.496 2.122 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2Cl)CC1 1359028195 KFZBEBYGELXTQM-UHFFFAOYSA-N 430.915 2.110 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1359048113 FVHKQMZQAYQCDL-SFHVURJKSA-N 446.621 2.013 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1359149704 GQIPQFMVKBXBQF-INIZCTEOSA-N 434.903 2.456 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359152303 RXQPIZGAOYNJHI-UHFFFAOYSA-N 447.877 2.486 30 10 IEEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)NC[C@H]2C1 1359220224 RWTCIYLKBSRYML-KRWDZBQOSA-N 426.521 2.436 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CCC)C1 1359300421 BDYNXSVPGAPHCA-LPHOPBHVSA-N 427.505 2.098 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)C1 1359314341 ZDQDTRDZADHJRT-WZONZLPQSA-N 447.580 2.146 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1359472656 OFYICHJGQWHSJK-DZGCQCFKSA-N 449.357 2.264 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncccc2N(C)C)CCOC1 1360339777 XIGNUVRBWMXSKM-YADHBBJMSA-N 443.527 2.270 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 1439969175 LGLMHCWIYCDMET-AWEZNQCLSA-N 433.534 2.392 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1440367008 GAJCQNFSVMCSAU-IRXDYDNUSA-N 443.363 2.263 30 10 IEEE COC(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccsc1 1448168090 ZXYZZVILGFPUIU-SFHVURJKSA-N 449.554 2.378 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1455706496 UOPVLHOYPTXYCP-SUMWQHHRSA-N 437.327 2.412 30 10 IEEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1466840669 FGKQFMOINYIDAX-WGGUYMNQSA-N 437.566 2.029 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1Cl 1466875157 HKMZJHUXRAERTH-UHFFFAOYSA-N 444.893 2.110 30 10 IEEE C#CC[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1469448472 PARKQHZFFYPZSE-RBUKOAKNSA-N 449.573 2.474 30 10 IEEE C=CCCC[C@@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccccc1 1471586179 MSQCVFOLPQEKJQ-QGZVFWFLSA-N 429.498 2.456 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c1 1471746686 SVZJPDXJXGYMIC-GOSISDBHSA-N 429.498 2.248 30 10 IEEE CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1471832355 CIJKQOXAKWYWJL-SFHVURJKSA-N 435.546 2.331 30 10 IEEE CC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1475356459 FCPCWHTVZOZYPQ-LBPRGKRZSA-N 432.315 2.387 30 10 IEEE C=CCN(C(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1476602140 ZYEYEGGNRQSFJI-OAHLLOKOSA-N 433.452 2.381 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@H]2CSCCS2)n1 1507715931 DUDNZMMXELCIEE-GOSISDBHSA-N 432.619 2.487 30 10 IEEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O)C1CC1 1507989499 ZYQOZJNQEFDURI-UHFFFAOYSA-N 446.396 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](COC)C1 1508073074 LXYPXPDEXOXFDL-INIZCTEOSA-N 429.521 2.127 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514611802 VJPVQLJGEQEERZ-NHKNDPDJSA-N 443.596 2.270 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)N1CCOCC1 1518001003 HGUCCFIZMPVXFF-AWEZNQCLSA-N 432.912 2.204 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)nn1 1519767741 GAMZSIZTNSQFLY-UHFFFAOYSA-N 430.896 2.107 30 10 IEEE C[C@H](C(=O)Nc1nc2c(cc1C#N)CCCC2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1535093710 ADFUBTAHGAKGPF-CQSZACIVSA-N 427.505 2.238 30 10 IEEE C#CCN1CCC(C(=O)Nc2cc(I)sc2C(=O)OC)CC1 1537557885 IGJMCFGAIDOYAI-UHFFFAOYSA-N 432.283 2.423 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539116724 QPHYSNRDEIRKEA-GOSISDBHSA-N 430.578 2.170 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539223975 ASOKOYFBDNBCGQ-IBGZPJMESA-N 428.558 2.109 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)c2nccs2)CC1 1539482533 URWNVWHDJOAYHW-NVXWUHKLSA-N 428.562 2.008 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCCS2(=O)=O)CC1 1539855407 XGPGXSHQPGXLRG-UHFFFAOYSA-N 431.562 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1540868231 XDQPVYBKIQYISG-UHFFFAOYSA-N 446.555 2.464 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1540908573 YTJPRXYEDVGLTC-UHFFFAOYSA-N 433.500 2.327 30 10 IEEE CC(C)(C)OCc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)no1 1541227884 MNKDFIISXMICQB-QAPCUYQASA-N 430.509 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 1543377984 QKMNYUUEFQKCGX-FQEVSTJZSA-N 442.560 2.375 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCOCC1 1546577164 GWYROOGVDIOCGN-GOSISDBHSA-N 440.573 2.444 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)C1 1554531823 QRDMKNYQHCIGMP-AZUAARDMSA-N 439.516 2.259 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)cc21 1556536151 VHZJMIUITCHGED-UHFFFAOYSA-N 430.472 2.195 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 1557048785 MMMWJFMSVYCMHQ-RDJZCZTQSA-N 435.546 2.021 30 10 IEEE CCn1c(-c2ccccc2)c(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c2ccccc21 1559440818 QKWVBICILRQXOJ-UHFFFAOYSA-N 442.475 2.398 30 10 IEEE C#CCN(Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)[C@H]1CCS(=O)(=O)C1 1560681025 CHZOUUWKPVORJO-ROUUACIJSA-N 436.574 2.460 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 1568181039 DIZDIWMYGWVRGH-DYESRHJHSA-N 429.473 2.152 30 10 IEEE C#CCN(C)CCCNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1569839255 IZDOPRHIPLAEBI-CQSZACIVSA-N 440.495 2.083 30 10 IEEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 1583526960 SBPXNVKSNPHHAP-FOIQADDNSA-N 439.871 2.260 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)Nc3cccc(OC(F)(F)F)c3C#N)CC2=O)cn1 1584775721 DBOSYMXCJLYVEI-GFCCVEGCSA-N 437.378 2.291 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588041267 WACIBBOEAILRAO-KNQAVFIVSA-N 439.541 2.013 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(=O)(=O)CC 1588099467 NWPBFMXNHVCZLH-INIZCTEOSA-N 445.614 2.144 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(CCC)CC2)CC1 1588864211 AFONWOXCOQBXNC-UHFFFAOYSA-N 438.624 2.017 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(N)=O)C1 1589504803 JIYRSXGAWXQFDJ-BQFCYCMXSA-N 426.477 2.146 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1594009214 IOYCVBNUSKVPJK-OAQYLSRUSA-N 438.576 2.474 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cc(CO)nn2)CC1 1594128187 NJJCIUPSSATUQS-UHFFFAOYSA-N 427.484 2.327 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595569622 KWOKVKZTDDUKGH-IBGZPJMESA-N 439.560 2.333 30 10 IEEE C=CCSCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1595905047 BKTGGVHFPZPQTJ-DUXKGJEZSA-N 438.594 2.234 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F)c1cc[nH]n1 1597312094 LTZUBZHRDWEUAL-INIZCTEOSA-N 428.367 2.122 30 10 IEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1603145283 GOZTZMDXMCRRAP-MDZRGWNJSA-N 444.561 2.059 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CC=CCO1 1611847372 SQYUPAMYBBNGMV-NVXWUHKLSA-N 443.577 2.488 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCN3CCC(C)CC3)CC2)c1C#N 1612470588 SGJOEKJYSJUVQE-UHFFFAOYSA-N 439.612 2.339 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1NC(=O)CC1(C)C 1614025029 CGTKFKNCXWABMO-GOSISDBHSA-N 425.512 2.093 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1618070989 IFQRFPHUPQOUCO-VCBZYWHSSA-N 447.557 2.427 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)ccc1F 1618159806 VCVFGRVZVADIIZ-UHFFFAOYSA-N 432.399 2.161 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1619913152 VMUUQKLLZQMXLU-SJORKVTESA-N 436.557 2.452 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCOC2)CCO1 1620354943 MZNFYTIXDFNWJJ-SJLPKXTDSA-N 444.923 2.017 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2c[nH]nc2I)C1=O 1626598817 VQBLVXNRBSUKKB-OAHLLOKOSA-N 447.277 2.330 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1628940447 CPGFSIPXPLLMNB-UHFFFAOYSA-N 433.350 2.020 30 10 IEEE C#CCCN(CCOC)C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1633828320 NOLHOHMDYIDVOL-UHFFFAOYSA-N 444.509 2.006 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCOC1 1634433010 JKIXRHGPNORWMF-UUOKWGGISA-N 449.548 2.249 30 10 IEEE N#C[C@]12CN(C(=O)NCCc3cc(Cl)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1637989104 SODQOVPXGKGMEN-BLLLJJGKSA-N 446.754 2.225 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CCO2 1638368029 HJNUUFFHYHCOSG-LRZVDXDASA-N 428.533 2.132 30 10 IEEE COCCOc1cc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)ccn1 1639990687 YZHABBJISYKQEA-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE CC[C@H](Cc1ccccc1Br)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636334 BXIREZZUYQOQNG-GFCCVEGCSA-N 431.290 2.235 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 1641630569 AOLIPGLDJMUWEL-QGZVFWFLSA-N 431.493 2.319 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1642483678 FYAMZHBEMWGXRS-PGRDOPGGSA-N 425.554 2.357 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1 1643191837 QAJKNVOAXATDKV-DLBZAZTESA-N 435.546 2.375 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 1644587735 RCAACVDJJJYHLL-GOSISDBHSA-N 425.489 2.380 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1645390899 FIBLLMDHCFBVNG-UHFFFAOYSA-N 433.578 2.257 30 10 IEEE C#CC1(F)CN(C(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)C1 1651092240 JMSMKSIXYBTFJP-GDBMZVCRSA-N 428.323 2.226 30 10 IEEE CON(C)S(=O)(=O)c1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)ccc1Cl 1653211188 SIMNHCCPZFIYNX-UHFFFAOYSA-N 440.934 2.236 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3Cc4cccc(C#N)c4C3)CC2)cc1C 1654921130 WLUSZFOUHOBNIZ-UHFFFAOYSA-N 438.553 2.024 30 10 IEEE C=C[C@H](C(=O)OC)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1655146615 HHIOZJQBXXTEKK-SJLPKXTDSA-N 433.553 2.374 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1669104587 GHWMCIBZNRJNGZ-UHFFFAOYSA-N 435.528 2.414 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 1669291332 RECCGAOGOUQBEV-UHFFFAOYSA-N 436.555 2.111 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1689938570 PMOZPHRRIRLEST-UHFFFAOYSA-N 431.562 2.097 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1689992319 JHIJKJUNWIJULK-SFHVURJKSA-N 428.558 2.304 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)(C)C)n1 1690019502 KHDXBDDCLUDFMH-MRXNPFEDSA-N 445.614 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690023923 MOKJCEIMPPEDAZ-WIOPSUGQSA-N 434.540 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)cc1 1690034564 LUGUSUQYRSTRDD-DEOSSOPVSA-N 435.528 2.400 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1690046779 GYDHCCOOWOQQKV-WOJBJXKFSA-N 439.585 2.168 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690092248 AYERDAJDYVUDQE-PKOBYXMFSA-N 426.521 2.073 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2)CC1 1690375394 KAFLPQKDSWGUQF-IBGZPJMESA-N 431.562 2.124 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)CC1 1690455249 GLBKKHGWTYCIJI-UHFFFAOYSA-N 437.508 2.166 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)C1 1695959065 OPHWVYZPTFRECZ-IBGZPJMESA-N 446.577 2.150 30 10 IEEE CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1697024417 IPFIWTZXBWZBEK-LJQANCHMSA-N 442.589 2.426 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1698302673 ZPCNXJSOXNRLIM-GOSISDBHSA-N 445.476 2.132 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1705489326 NELLDKTXCJCSFE-FRKCRFBYSA-N 443.511 2.421 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1nccnc1C 1705627208 ZEJSOUHNTGYIMU-UHFFFAOYSA-N 444.499 2.021 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1705781528 BOFTXVORVGNBSU-IBGZPJMESA-N 445.589 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1ccc(F)cc1 1705931967 GSKRALWLIIBCGG-UHFFFAOYSA-N 432.525 2.445 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1708522200 WHKGUTMPGXEVJT-MSOLQXFVSA-N 439.564 2.437 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1710295713 LYJCKJSMJGJLKQ-PZJWPPBQSA-N 429.613 2.186 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc([C@H](C)O)cc1 1710698225 SVMOXYJZPWSGRZ-HNNXBMFYSA-N 434.500 2.451 30 10 IEEE CN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1711046593 VITXYESBIVVCTG-HNNXBMFYSA-N 445.476 2.132 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1711085836 UCOVCESOWQRACR-LJQANCHMSA-N 431.500 2.222 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)Cc2ccccc2)cn1 1711245581 HLJDRFBDLICDFW-UHFFFAOYSA-N 439.545 2.034 30 10 IEEE COCCn1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](F)(C#N)C2)cn1 1712467402 CMKAFSFXSPPOKC-QFIPXVFZSA-N 439.495 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1722297249 YRSJWIRIRSZTKX-RDJZCZTQSA-N 432.546 2.094 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CSCCS1 1722407239 HXJGFZULJGMBTO-KRWDZBQOSA-N 426.575 2.229 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722456775 FNJULAZZVGMZPL-OAQYLSRUSA-N 441.582 2.198 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1722531638 VKCPUEYAPHGUAG-SFHVURJKSA-N 449.577 2.013 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722549204 GHWQGGUQEKWYRR-QGZVFWFLSA-N 431.972 2.169 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722690636 KPMGQVRRLHHAHC-CEXWTWQISA-N 430.597 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722696222 FRTBOZLTISOYND-SFHVURJKSA-N 445.527 2.132 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1 1723642339 FPEVUAKFYSBIFV-UHFFFAOYSA-N 439.545 2.389 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(F)cc3C2)n1Cc1ccc(C#N)o1 1723944873 ZQUSCMUJWOQBHY-CYBMUJFWSA-N 444.492 2.103 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740550906 DYGAFRHTHLZJRA-QFBILLFUSA-N 432.546 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1740552048 MYKJBOFGDBXVJJ-CMKODMSKSA-N 433.622 2.435 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(O)CCC[C@@H]2C)c1 1740565441 VQJKFAOILSDKOM-SBUREZEXSA-N 425.533 2.422 30 10 IEEE C#CCCCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1740580108 YXJXBSIPVSEPAA-AUSIDOKSSA-N 431.581 2.427 30 10 IEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740715672 LMBZXCPWJQOTAH-INIZCTEOSA-N 443.598 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1740725691 TUHVLICTRPDMPF-BBTUJRGHSA-N 436.626 2.145 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740959661 CBOAICUDYZLIJM-MJGOQNOKSA-N 429.496 2.191 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740961241 QEYSBPYAHHWNEV-OPAMFIHVSA-N 445.951 2.209 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@@H](C)O)cc2)C1 1740982476 UXRDYKBVIRNREK-NSISKUIASA-N 446.573 2.063 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817375 JSBYWQAFYLEOQE-SFHVURJKSA-N 434.537 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(OC)c1OC 1748852697 LCHLQWJXBQPVCS-UHFFFAOYSA-N 431.496 2.411 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCC(OC)CC1 1748856193 STMBHXHUSOSSQQ-UHFFFAOYSA-N 437.592 2.102 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1748924997 BFNAGBBGTHQBKN-IBGZPJMESA-N 448.612 2.430 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1749000103 NGMKRGPFOBDGRM-LJQANCHMSA-N 426.540 2.235 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCC)CC1 1749009103 NFVUOFMJGDHNSG-UHFFFAOYSA-N 433.516 2.360 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749048084 IHAKDULRHAIMDJ-DENIHFKCSA-N 449.621 2.038 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1749103795 DDQSQQHVXRKPSE-CQSZACIVSA-N 445.383 2.238 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2OC)CC1 1749286771 QUJPYEYUAMDYHE-HNNXBMFYSA-N 435.550 2.110 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccccc2F)CC1 1749310101 VUPDWAYLSYNQRN-UHFFFAOYSA-N 426.496 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 1749657776 FOVUALDKRITGKZ-LJQANCHMSA-N 437.331 2.256 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749658220 IBNCCERHXFRLEM-LJQANCHMSA-N 435.532 2.004 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(F)CCC2)CC1 1750209798 HOXKDIRHEGSQOW-UHFFFAOYSA-N 432.525 2.181 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)C1 1751277918 QJKSIHKQVWAFHX-NQIIRXRSSA-N 448.593 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC 1760209949 KMDMYRQCSULMRA-GOSISDBHSA-N 443.573 2.107 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(COC)CCCC2)CC1 1760257047 NNGWUBQQDNWPLD-XMMPIXPASA-N 445.608 2.282 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[S@](=O)C(C)(C)C)CC1 1760260725 DDUBCDRPGMLIEO-HKBQPEDESA-N 443.617 2.468 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760357045 CLSBTUXSODMBSG-WIYYLYMNSA-N 441.532 2.488 30 10 IEEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760435689 RLGKYNIHMROKHU-UHFFFAOYSA-N 442.539 2.031 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1760525187 XIJXKGPHELITKQ-FQEVSTJZSA-N 439.560 2.433 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCC(OC)CC2)C1 1760545035 MGDYNNGPUNFCDT-IBGZPJMESA-N 441.580 2.406 30 10 IEEE CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1764265665 GXCOABSMQKGJAT-FQEVSTJZSA-N 432.532 2.282 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1766192891 SRCJAUZOEGCUIH-DLBZAZTESA-N 426.521 2.428 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)CC1 1767149910 HUXOJGJIIWBHCE-MOPGFXCFSA-N 441.628 2.009 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1772564541 JCRBZTCPWIVCRA-CABCVRRESA-N 427.571 2.106 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)ON3C(=O)c4ccccc4C3=O)=NO2)C1 1772788734 FUNJQLPUHRVHNJ-NRFANRHFSA-N 429.429 2.287 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOCC2(C)C)CCOC1 1772844862 GGJVPBCMSSNLNS-QHCPKHFHSA-N 446.596 2.169 30 10 IEEE CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)N4CCN(CCC#N)CC4)c3)c2)n1 1848464067 NCZNJOSIBPENAB-UHFFFAOYSA-N 434.504 2.286 30 10 IEEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(c4nc(Cl)nc5[nH]cnc45)CC3)cn2c1 1851711389 LYYPVEPXPWSUIG-UHFFFAOYSA-N 442.270 2.141 30 10 IEEE C=CCN(Cc1cnnn1C)C(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1853439189 LUIPJBSBDGJDCH-QGZVFWFLSA-N 434.548 2.168 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862564167 UKTDXJSGCSUXHR-LJQANCHMSA-N 440.456 2.413 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862599789 GSXBAHZUSIHEFG-SFHVURJKSA-N 429.425 2.340 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862754649 OXZJONINTHQNAU-GTNSWQLSSA-N 427.369 2.462 30 10 IEEE C=CCN(CC=C)c1cc(N2CCC[C@H]2C(=O)N=c2cc(C)o[nH]2)nc(CCOC)n1 1869101669 BCJGNCDHAOKQQW-KRWDZBQOSA-N 426.521 2.170 30 10 IEEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870815849 FIATUBNUXGQUKG-UHFFFAOYSA-N 435.546 2.225 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)nc(Nc2ccc3n[nH]cc3c2)[nH]1 1871629784 ZMJSYUMGAUUMNA-UHFFFAOYSA-N 449.563 2.226 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(N3CCOCC3)ncnc21 1873596437 WRMQBFDMRWALCH-UHFFFAOYSA-N 437.500 2.401 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1 1891850341 PYHGDSZATUTYON-UHFFFAOYSA-N 443.569 2.318 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010405525 ZHJTVLBTUBRMPQ-MCIONIFRSA-N 426.319 2.008 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1ncc(Br)cc1C#N 2054429201 UEQMFKBJEANYAU-UHFFFAOYSA-N 431.312 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060634806 DPOVRFCAOZDWNB-AWEZNQCLSA-N 430.314 2.137 30 10 IEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060637199 IECNCIPJBRJRSK-QGZVFWFLSA-N 433.358 2.379 30 10 IEEE C[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2124534455 IDVXIXLHORFGMS-ZJPYXAASSA-N 449.401 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243394870 NZORMEMIKMLXNY-GDLZYMKVSA-N 426.344 2.113 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917973 GRFMAKLCMQKZOW-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N(CCN)Cc3ccccc3)ccc2F)OC1(C)C 2247951206 HTWPBDVOQGHFQC-UHFFFAOYSA-N 434.342 2.275 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255698466 PYHUDCMAERULIW-HNNXBMFYSA-N 433.358 2.406 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835091 SOGYNOZBQYVATA-IBGZPJMESA-N 427.354 2.379 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255863282 MWWMTWGYLIZRHN-QCKZDCLWSA-N 437.321 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CC1 2255954129 SZLBSOHEBBVVRS-UHFFFAOYSA-N 432.326 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256677354 CWMDBWBAPNETGT-JOCHJYFZSA-N 436.358 2.396 30 10 IEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N(CC(=O)O)Cc2ccccc2)OC1(C)C 2256909244 YMEIRCXJINCYKE-UHFFFAOYSA-N 445.346 2.402 30 10 IEEE C[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2267092259 MZEZCEWBKGXJEI-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CN(Cc4ccccc4)C[C@@H]3C(F)F)[nH]n2)OC1(C)C 2267190984 VZQCCOFUCTXYIZ-RDJZCZTQSA-N 446.307 2.204 30 10 IEEE Cc1ccc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267231327 AKFUYXHVKQBWIY-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE Cc1cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267233332 FFKWARJZFCIERW-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2267493438 ZQGDSGLVCXVLCM-HZPDHXFCSA-N 448.373 2.285 30 10 IEEE CN(C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1)C(=O)OC(C)(C)C 2267560785 HRXKAAHMOPQIOU-INIZCTEOSA-N 449.357 2.022 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267883479 FQTBLXKAVHOOFG-UHFFFAOYSA-N 446.357 2.201 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646130 XJNSUACZGRYLMF-QAPCUYQASA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H]2COC[C@H]12 2268994674 XKDIFBQZRRDMSA-DJIMGWMZSA-N 449.332 2.248 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)ccc2Cl)OC1(C)C 2282870120 NDHPEWODCZTEDO-CYBMUJFWSA-N 443.758 2.023 30 10 IEEE C#Cc1cccc(N[C@@H]2N=CN=C3C=C(OC)C(NC(=O)N4C[C@H]5CCN(C)[C@H]5C4)=C[C@@H]32)c1 2295038597 HJXSISWJKLMCHI-YQOCOVSOSA-N 444.539 2.278 30 10 IEEE Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@]3(CO)C2)c1 2297649088 QEUBKHUSALYRNE-MGPUTAFESA-N 433.434 2.272 30 10 IEEE COC(=O)c1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)cc1 2329175670 OTPMERKNBSFDBR-UHFFFAOYSA-N 439.497 2.146 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2337295095 UZXXCFCENVJEES-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE COCCOC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC(C)=C2C(=O)c1ccccc1 20569127 GEZGDLDZWZUYSZ-XMMPIXPASA-N 434.448 2.424 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(CC)cc2)[C@H](C#N)C(=O)N3)CC1 72444725 SXJWVDRZPSTRAX-ZWKOTPCHSA-N 449.511 2.336 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 103117733 BQDMFRTUBXPGJS-LAFOYAEKSA-N 442.424 2.034 30 10 IEEE CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ncccc2C#N)CC1 108490697 URNPOVNEJYFEPW-IBGZPJMESA-N 427.455 2.335 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 254397878 GOOVQIOXYRHRDE-UHFFFAOYSA-N 433.480 2.117 30 10 IEEE COc1c(C=NNS(=O)(=O)c2ccc(C)cc2)c(CCN(C)C(C)=O)cc2c1OCO2 254833859 NZMHATQUPTWSJF-UHFFFAOYSA-N 447.513 2.066 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)CCO1 409488623 YAGQSZHXIKYHIT-SJLPKXTDSA-N 437.566 2.231 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2csc(CCc3ccccc3)n2)CC1 435514494 CAAQQYFOIRWYJQ-UHFFFAOYSA-N 427.574 2.058 30 10 IEEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]2CCCO2)c1=O 461345895 FNMCLRMDWQIRIA-KRWDZBQOSA-N 444.528 2.355 30 10 IEEE C[C@](C#N)(NC(=O)CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)C1CC1 470000791 SUMDWVRTMFTJAY-HXUWFJFHSA-N 439.343 2.325 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 471034823 WESFNZCOWQRCRC-JOCHJYFZSA-N 436.537 2.483 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)ccc1Cl 476614990 XQCVEDYFSZNFPI-UHFFFAOYSA-N 443.909 2.369 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(CCC)c2)c(=O)n1C[C@H]1CCCO1 478874590 UUYXALILIHZWLJ-LJQANCHMSA-N 439.581 2.071 30 10 IEEE COCCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@H]1CCOC1 490054702 NPBHFFUWLHBJRY-ZWKOTPCHSA-N 430.549 2.093 30 10 IEEE COc1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccc1S(=O)(=O)N(C)C 503637306 ZDSJQNGHWUWDAH-LJQANCHMSA-N 425.507 2.146 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4ccc(F)c(C#N)c4)CC3)C2=O)n(C)n1 506423406 XRBAUVCHDBIONH-LJQANCHMSA-N 439.495 2.084 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508828299 PHKYIPRQRLBIIX-IBGZPJMESA-N 439.516 2.036 30 10 IEEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 511977556 IDVVZKKRPJGKPW-CRAIPNDOSA-N 430.505 2.297 30 10 IEEE Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1S(=O)(=O)NCC#N 527186118 WNUHAPPBWMMMIQ-UHFFFAOYSA-N 438.509 2.352 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 537996953 AZSSDLBJAYZPEY-QFIPXVFZSA-N 432.524 2.022 30 10 IEEE C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 544882653 UKDBEWUFPADFJY-OMXJDXKCSA-N 426.517 2.457 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H]2CCCO2)n1 549471806 HJOHFWYUEBEZDF-IBGZPJMESA-N 430.516 2.421 30 10 IEEE C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 551581572 IHWOOKHCUVUBKY-IBGZPJMESA-N 438.509 2.118 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1-c1ccc(F)cc1 558728211 PLNIOXYVASHKSA-UHFFFAOYSA-N 429.423 2.225 30 10 IEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](/C=C/c3ccco3)N2N1 588226718 SWQOFVCTLSJAKO-BVBGJJFLSA-N 443.326 2.445 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311265 AKNALTQPQXJROR-UHFFFAOYSA-N 427.482 2.109 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCSCC3)sc(=Cc3ccccc3)c2=O)cc1 609563885 FBYKYRSHMPWOOG-UHFFFAOYSA-N 447.585 2.286 30 10 IEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 619742022 TUSBDVFUKXGTSW-PGRDOPGGSA-N 433.560 2.382 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1 670213412 VNKCSRIBNXDWSP-UHFFFAOYSA-N 437.592 2.017 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 679528113 WDTXVXYELXAOPP-UHFFFAOYSA-N 447.513 2.062 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)CC1 727557737 QIAHADWPNKODDG-HSZRJFAPSA-N 426.517 2.302 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2CN(CC)C(=O)OC(C)(C)C)C1=O 729322140 BLIRCZWMMVZOKS-UHFFFAOYSA-N 444.488 2.359 30 10 IEEE C#CCN(C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)[C@H]1CCS(=O)(=O)C1 729332752 WQRPUBPYFSAKBN-KGLIPLIRSA-N 447.582 2.103 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 729879371 DXCSKLFUKSFLQK-QGZVFWFLSA-N 447.511 2.260 30 10 IEEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1C 730143495 VWDSYBAKDZLARW-INIZCTEOSA-N 426.970 2.294 30 10 IEEE N#C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CCN1C1CC1 732665164 ZCKJFQAKWDEPDO-AWEZNQCLSA-N 436.584 2.100 30 10 IEEE N#C[C@@H]1CN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C1CC1 732677020 QUVPBYZTHDHQHS-CQSZACIVSA-N 426.399 2.407 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@H]2CCOC2)C1=O 751655455 XZPJDUWXGJSWLK-XJKSGUPXSA-N 442.944 2.267 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(CCC2CS(=O)(=O)C2)C1=O 786684039 UWVARCCHLZQWEJ-OAHLLOKOSA-N 443.978 2.151 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OCC)cc1 792747167 IHOJIITUBYVFIK-IEBWSBKVSA-N 430.574 2.497 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO2)CCN1C1CC1 802690467 IFBGDDFRWRGQHB-ZWKOTPCHSA-N 426.496 2.352 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812266961 HKFAQSPNOXUUEZ-MOPGFXCFSA-N 448.976 2.328 30 10 IEEE COCCCN(C(=S)Nc1ccccc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 915996942 DJFUFGSBVNHCPM-UHFFFAOYSA-N 430.534 2.299 30 10 IEEE CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 916926279 XBFNCIBWWAVNKU-HNNXBMFYSA-N 426.473 2.330 30 10 IEEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1128016767 TWOUPHWFOMTHLA-LJQANCHMSA-N 425.510 2.206 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CCO2)cc1 1134283545 SZAXZIPTXUPDLV-VXKWHMMOSA-N 435.480 2.496 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC3(OC)CCC3)C(=O)OCC)ccc2c1=O 1144912930 IZQPNQDVDLVTFU-QGZVFWFLSA-N 445.541 2.492 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 1151586053 OKUKYVQNZNHWON-FHWLQOOXSA-N 428.533 2.324 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)C1 1153859129 MNYXFPMZPUSLIJ-LSDHHAIUSA-N 432.431 2.370 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc(C(F)(F)F)no3)C2)C1 1153994165 KUNFRGGIFQSHOO-GCULGPDHSA-N 429.399 2.491 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1154114068 RROOLUHXEYRSHM-CYBMUJFWSA-N 443.909 2.387 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)CCCN1C(=O)OC(C)(C)C 1155386705 JCQNGRCXCDLCSK-JOCHJYFZSA-N 446.552 2.074 30 10 IEEE C=C[C@](C)(O)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1157735642 IWEMHNXJAVHPRK-NRFANRHFSA-N 427.542 2.240 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)c1 1161259794 UZUQKTCGDUABJN-UHFFFAOYSA-N 448.566 2.100 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN1C1CCCCCC1 1171861048 NBTTZOJJFJSCDC-GOSISDBHSA-N 432.590 2.419 30 10 IEEE N#Cc1ccc(CNC(=O)CN2CCN(Cc3ccc(Br)cc3)C(=O)C2)cc1 1175238208 HNSCFCDFQLTWBY-UHFFFAOYSA-N 441.329 2.281 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2c2ncc(Br)cn2)CC1 1176357019 XDZZQWJQNFULSD-IAGOWNOFSA-N 435.370 2.068 30 10 IEEE Cn1c(=O)[nH]c(Oc2ccc(I)c(Br)c2)c(C#N)c1=O 1186062041 SRJJTUAIPMCXSZ-UHFFFAOYSA-N 448.014 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)C1 1225939357 YXDXMNQHYDBSAP-XHSDSOJGSA-N 449.552 2.444 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C(=O)OCC)nc3ccccn23)ccc1F 1276458793 HEWYQJLNKCGSBY-UHFFFAOYSA-N 446.460 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286269378 DUXMBSJQLGCVFN-SJORKVTESA-N 430.553 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC[C@@H]1C 1286419303 RHRZQVKLIYFNBU-NRFANRHFSA-N 448.571 2.331 30 10 IEEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1287131917 ZEORADJJHLCUAT-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC2CC2)CC(=O)N1C 1291279526 PVCNVMKPCKKHNC-KRWDZBQOSA-N 438.532 2.212 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1295876838 GTWIMOVSZWFURT-IBGZPJMESA-N 430.578 2.028 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1300357414 NOYQZHUGVTUKJW-KSZLIROESA-N 442.564 2.336 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1300496051 NIBGKQKWGZHBQB-PMACEKPBSA-N 433.622 2.120 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(C)COCCO1 1300653042 HSJIEWXQZCYCAZ-JTSKRJEESA-N 432.496 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCCCCC2)CC1 1300712125 MQNPEHOQTIRGSY-UHFFFAOYSA-N 442.608 2.334 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300769653 HNOSGZLTWABXKE-QFIPXVFZSA-N 425.558 2.248 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1301109450 JGDHQMDIDBGOOQ-GBXCKJPGSA-N 446.640 2.359 30 10 IEEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301177012 OWBHMQPCJFLXJX-HNNXBMFYSA-N 446.914 2.241 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1301272356 GJJCUTZOAPSKOS-HNNXBMFYSA-N 436.557 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301490165 LVXIBGBXKPFTPU-UHFFFAOYSA-N 449.559 2.428 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301515008 OPXGHPWSBJWQOF-GOSISDBHSA-N 429.521 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301569184 SALRJZOGJRVZEO-CVEARBPZSA-N 441.598 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccsc1 1301586031 PMPJTLGTYQQJIL-HOTGVXAUSA-N 435.575 2.233 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1C(F)(F)C12CCC2 1303835074 VSGIKEJXKSDREI-ZFWWWQNUSA-N 442.536 2.454 30 10 IEEE CC/C=C/Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1306483907 JDJKVEXZBSBHGW-RJOTYRNVSA-N 435.576 2.338 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CCC2(C)C)CC1 1308014305 MKNDVUDFRVNVOP-IBGZPJMESA-N 435.613 2.400 30 10 IEEE C#CCN(C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC)[C@@H]1CCS(=O)(=O)C1 1311078763 OHSDJQQTHNSUKH-MRXNPFEDSA-N 433.530 2.112 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCSC1 1314681869 IBAXWWBOKVQXSR-AEFFLSMTSA-N 446.602 2.040 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1COCCO1 1315654426 HOCOSFMTCRACBR-VGOFRKELSA-N 427.505 2.411 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1320063751 QYZWHNNCGKHJCE-GOSISDBHSA-N 444.509 2.311 30 10 IEEE C=CCO[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1342213625 WIJBZIHFLUEFFP-DOTOQJQBSA-N 443.363 2.406 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1358919736 JFPNLCHMDNVBBF-UHFFFAOYSA-N 438.923 2.195 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)CC 1359015902 IUVXVFXWALGBSM-UHFFFAOYSA-N 442.520 2.058 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F 1359292712 WHPXFOILUHWYFW-UHFFFAOYSA-N 444.845 2.162 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CCC)C1 1359300422 BDYNXSVPGAPHCA-QFBILLFUSA-N 427.505 2.098 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)c1 1452254856 WJHLVFVXTZWRQF-LJQANCHMSA-N 444.528 2.266 30 10 IEEE COc1ccc(-n2nnc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c2C)cc1 1472618430 TVPYVSAGYSNOMT-UHFFFAOYSA-N 435.440 2.102 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507514995 RINIOKINIRRUNL-VSZNYVQBSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633319 FVJNMLWFXPKIRM-RTBURBONSA-N 437.654 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCC1CC1 1507643284 KKKOXJJBFXNTKT-UHFFFAOYSA-N 444.308 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(C(N)=O)CCOCC1 1507661344 SNPKFJZDHYTJSA-UHFFFAOYSA-N 445.567 2.493 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1508012979 LCDHAHTVVLPMOW-UYAOXDASSA-N 440.596 2.044 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2cncn2)CC1 1508078124 UHSRLBREBFNOQZ-UHFFFAOYSA-N 434.548 2.318 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1511927953 PVODKACQVUYCBZ-CZIZESTLSA-N 436.476 2.041 30 10 IEEE CCn1cnnc1Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1515799514 VDOQCNSNDSRKGU-NHCUHLMSSA-N 428.541 2.108 30 10 IEEE C=CCN(C(=O)c1cn(CC(=O)OC(C)(C)C)nn1)[C@H](Cc1ccccc1)C(=O)OCC 1516157765 ZPIOTVXZEPWSLK-LJQANCHMSA-N 442.516 2.422 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NC2CCCCC2)CCO1 1521128319 BATFTWFUOCRHHX-INIZCTEOSA-N 429.912 2.171 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OCC 1531936275 CDQMLIUWXJMSCZ-YOEHRIQHSA-N 434.876 2.266 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1539094755 UYWJGCHJXRRFOT-JKSUJKDBSA-N 449.581 2.192 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CCC[C@H]1CO 1539256612 BUQXXSZDIGRKFF-QHCPKHFHSA-N 442.567 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1CCOCC1 1539259156 AANIMYRHWDGWLS-UHFFFAOYSA-N 430.512 2.395 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1539305555 GLSBLKWGOAQUAF-UHFFFAOYSA-N 425.920 2.310 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1conc1COC 1539368886 CQILKOZIYMNDCW-UHFFFAOYSA-N 436.520 2.094 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1539514164 WIKDZMLOJWYEKA-UHFFFAOYSA-N 433.545 2.262 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1539552307 NXFHATKZVBADEK-JOCHJYFZSA-N 436.541 2.311 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1539641198 DFZMZHMOYHXHFX-GGPKGHCWSA-N 428.537 2.120 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539717666 QIGMNBJZLCYRHG-UHFFFAOYSA-N 444.511 2.147 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539743866 USBWLKQRJRWNIS-HXUWFJFHSA-N 425.581 2.149 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1539751491 OFUVCDKLOSQOPQ-VQTJNVASSA-N 446.573 2.351 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1540071596 GPLHMJOQAYJAQO-GJZGRUSLSA-N 433.525 2.059 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)C1 1540892000 CTWJQSHAFJFWOJ-APWZRJJASA-N 448.545 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(F)F)C1 1540904801 QEUZWULMAZUHAV-MRXNPFEDSA-N 425.505 2.346 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1543147770 KNBNABQXWUXYQF-CQSZACIVSA-N 428.514 2.318 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)COC 1545886838 NGWZLBNYMYAHPT-AWEZNQCLSA-N 441.536 2.014 30 10 IEEE CCN(CC(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1547400598 USSZDASGADCPQY-UHFFFAOYSA-N 436.520 2.422 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)cc1OC 1555673185 ZFVGTSITGDFNFI-PBHICJAKSA-N 435.912 2.441 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1CN(C(=O)OC(C)(C)C)C1 1555726936 AEUALYBWTSVBQZ-SZMVWBNQSA-N 448.568 2.465 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1[nH]cnc1CCN2C(=O)c1cccc(C#CCO)c1 1557591248 BDDGSWNLPKWUHJ-XMMPIXPASA-N 436.512 2.288 30 10 IEEE C=CCn1cc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)nn1 1570505805 UPCHAAZLPAMCOG-LJQANCHMSA-N 428.537 2.106 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1586204811 MMAKYUUJPVAFFC-DQLYFJKKSA-N 427.567 2.055 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1587668107 SRLFPQVPHJGJPB-LEWJYISDSA-N 449.603 2.460 30 10 IEEE C[C@H]1CN(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)O1 1587799066 XCVHYMOLIAVMEN-GASCZTMLSA-N 435.366 2.372 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(CC)cc2)CC1 1588923939 RAAYTCYGCHNZSD-UHFFFAOYSA-N 445.571 2.450 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1589164094 PQCXJUMBFUDBLO-WNXIRNOKSA-N 445.608 2.422 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1589171569 KCZMMVIKNKHMEP-YZZKKUAISA-N 426.517 2.494 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1589687787 OKGFWFVMGICMHQ-KRWDZBQOSA-N 432.594 2.393 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1595838012 INUQAQRKSCXTOG-UHFFFAOYSA-N 448.553 2.282 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1596233336 IXIHNHSIMMMQMZ-SWLSCSKDSA-N 436.452 2.386 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 1596405225 OTFVAUXDEMUIRQ-UHFFFAOYSA-N 434.544 2.379 30 10 IEEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCc1ccccc1 1611366841 IDODWKJQYAKPAC-KXBFYZLASA-N 434.452 2.011 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1613408375 FVBTUWHOTKBXPZ-GOSISDBHSA-N 446.563 2.059 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(C(=O)NC)c1 1613527817 AWTHPJCONBWAIM-OAHLLOKOSA-N 425.537 2.200 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CCC1 1615922210 ICTJRSHSXJFYON-HXUWFJFHSA-N 449.559 2.228 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2ccccc2F)CCOC1 1616260124 AVUWOJKDSWTIJT-GCJKJVERSA-N 429.496 2.431 30 10 IEEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1617098827 WPONZQSXJPWDDZ-NRFANRHFSA-N 429.546 2.258 30 10 IEEE CN(C)C(=O)COc1cccc(Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)c1 1617624434 BRLTVBPQKBWFNZ-QHCPKHFHSA-N 449.490 2.297 30 10 IEEE COC[C@H](F)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619624907 BOAZSQOZIQQEJJ-MJGOQNOKSA-N 428.512 2.327 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1623331054 IQKAEIAVKXIXFQ-UHFFFAOYSA-N 433.555 2.480 30 10 IEEE CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cc1 1623904751 ZBUHKIFOTSRCON-UHFFFAOYSA-N 430.335 2.455 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C(=O)OC)CCCC(C)(C)C2)s1 1629673794 XOBVUKGYUPQICU-LJQANCHMSA-N 428.576 2.383 30 10 IEEE CN(CC(=O)NCc1ccc(C(=O)NO)cc1)c1cc(Br)ccc1[N+](=O)[O-] 1635200609 HJXBJEQOQQIUDQ-UHFFFAOYSA-N 437.250 2.229 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3ccc(Br)cc3C#N)C2=O)cc1 1640188889 MGKAGSZOJMAQJY-LJQANCHMSA-N 443.257 2.441 30 10 IEEE Cc1nc(CSc2ccccc2C(=O)NCCn2cc(C#N)c(O)nc2=O)cs1 1641967525 CQRIXEWJDCNNPU-UHFFFAOYSA-N 427.511 2.308 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)c1 1652741497 KYZBMJVGCLOYCF-JOCHJYFZSA-N 436.855 2.363 30 10 IEEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)ccc21 1654782607 AMPXUXIZBYNOIS-SFHVURJKSA-N 446.511 2.112 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnc(-c2ccccc2)s1 1662841442 HESZGNHHENBAGE-CQSZACIVSA-N 426.527 2.371 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)cc1 1667957179 WWBYEUHTNHKFPY-HXUWFJFHSA-N 447.561 2.204 30 10 IEEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1677638522 GDBUBKANSJXZOY-GOSISDBHSA-N 429.517 2.221 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)C1 1679944303 KOVZHRUVSHEYRL-GMZLATJGSA-N 436.534 2.379 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1OC 1689930156 LTBITAHTBOZKDE-KRWDZBQOSA-N 432.546 2.117 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1689930499 SKZQYPSLCWFECN-PKOBYXMFSA-N 431.562 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCOC1 1690034591 MUYRGFGDNYNPSL-FQEVSTJZSA-N 429.318 2.322 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 1690049806 IMJWZPWULFJZDB-UHFFFAOYSA-N 436.579 2.497 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1690077153 JVCQBQQGBUJAPI-KRWDZBQOSA-N 432.546 2.117 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1690077304 MIXIWYJGUWWKPI-GOSISDBHSA-N 438.557 2.089 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccccc2F)CC1 1690109502 UFSMCLYSUOOCCC-UHFFFAOYSA-N 426.540 2.288 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1690242991 GBXGVYOAYHOLMA-TZIWHRDSSA-N 425.533 2.221 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690453840 KZJIQMYGKMCIHU-INIZCTEOSA-N 431.562 2.372 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1690597277 OTKOWEPCZNBTCS-LPHOPBHVSA-N 430.530 2.404 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1690660944 RISQXQNMHABOJB-HXUWFJFHSA-N 446.559 2.239 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690668235 XWMPFZGTYDGTLK-HKUYNNGSSA-N 439.564 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690723478 STDLXOGLLBTXRP-KRWDZBQOSA-N 435.594 2.032 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1693349785 BVXTWLGOVGNSIX-HNNXBMFYSA-N 434.591 2.199 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cs1 1693354981 MZVQLRLJLVBYKJ-SFHVURJKSA-N 434.591 2.341 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705594558 JKWUVXCGLYQABA-UHFFFAOYSA-N 442.523 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCSCCCO 1705597326 BRLHJOYCWBCVST-FQEVSTJZSA-N 426.542 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCSCCCO 1705597327 BRLHJOYCWBCVST-HXUWFJFHSA-N 426.542 2.369 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1705663964 SUYFGKUHJIWYNR-UHFFFAOYSA-N 429.546 2.154 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705754857 HBRHOGAQXIOVTR-IKGGRYGDSA-N 444.001 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705930228 IWHUUMONKXMKQU-UHFFFAOYSA-N 449.552 2.104 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2nccs2)C1=O 1711271721 HWVRPQRUEQUXTQ-NRFANRHFSA-N 437.529 2.300 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1711472395 FHGFGDSWMHSTDF-WJOKGBTCSA-N 444.561 2.252 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3CCCCCCO)CC2)nc1 1712880531 BWOADUSGUHUVEJ-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722317919 KVIBNHXBMKYEMG-GOSISDBHSA-N 428.581 2.335 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722536019 BMBNYJMXTSJRRR-QZTJIDSGSA-N 426.583 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2sccc2[C@H]1CC 1722728074 SZCLUUTZOOUMKP-HZPDHXFCSA-N 449.602 2.405 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCC(C)(C)O 1724091438 FVOLBANGERLQNZ-AWEZNQCLSA-N 433.582 2.446 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCn1cc(C)cn1 1727002831 IFOJTAYHFMUDAG-KRWDZBQOSA-N 436.568 2.237 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1=O)[C@H]1CCOC1 1729369787 OMCUCWAHUAQXGK-IBGZPJMESA-N 438.532 2.356 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1729454990 WFUNTGQOAQEIID-ZDUSSCGKSA-N 425.461 2.175 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1729707306 OAZHBPNBXDOTOM-OAHLLOKOSA-N 441.536 2.302 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740615977 PDTDNYSJYVCKFP-INIZCTEOSA-N 434.537 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(CCOC)CC1 1740636953 JTBZXGGVBDVYLR-UHFFFAOYSA-N 440.573 2.128 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N(C)C 1740647407 NUECYTKVXQBSAK-UHFFFAOYSA-N 432.297 2.398 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1740662449 RXCXSCQBEDARKF-OAHLLOKOSA-N 428.518 2.051 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1740696508 VZNOAXWCZORMCR-OALUTQOASA-N 425.533 2.013 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1740794754 HQRCHTZEMANXRD-KRWDZBQOSA-N 426.583 2.167 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740794756 HRIQYOAZGXHLSY-LEWJYISDSA-N 444.580 2.484 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740844406 IQWONYYOOQPBAZ-QGZVFWFLSA-N 442.951 2.348 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1F 1740958998 IGCGLDIKZBXBHR-UHFFFAOYSA-N 426.452 2.084 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC1 1741124947 HKDLANDIUAHARR-MRXNPFEDSA-N 425.493 2.314 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1741136286 MRONOLXXAWMXIQ-ARFHVFGLSA-N 430.475 2.379 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc(C#N)o1 1743736555 HQQADPXOSLFLTR-KRWDZBQOSA-N 427.553 2.295 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1745779682 UXRNYRBEFKOHNF-LJQANCHMSA-N 432.532 2.460 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(COC)CCCC2)CCOC1 1746732604 AANZORKFFRITPT-GCJKJVERSA-N 433.553 2.256 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1748697989 BODFAKBREGCLAE-HTAPYJJXSA-N 443.573 2.328 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1748730981 XCCBHNMKPATPBZ-UHFFFAOYSA-N 440.573 2.388 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1748737105 XGCLWXRTPXDUBL-MRXNPFEDSA-N 435.525 2.052 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1748757447 CITARMWGTLPYKQ-FQEVSTJZSA-N 430.574 2.499 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749429204 IZPKVBKTEWCSAU-FQEVSTJZSA-N 429.613 2.190 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)COC1 1749530972 AVBFDESGQJOZJV-IBGZPJMESA-N 441.557 2.281 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1750089954 NGQLGRQVHQFIRW-KBPBESRZSA-N 441.504 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1760113870 YODBXLHXNVGZSZ-KRWDZBQOSA-N 438.580 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)COCC2 1760207310 DQRPWAAFKSLIJX-UHFFFAOYSA-N 445.548 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCOCC1 1760222437 LAIGSKPCDXYQON-NJDAHSKKSA-N 427.593 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1760258749 RFODAWSUQJJVNV-QHCPKHFHSA-N 436.604 2.366 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1760259972 JLJJGHLWGXWKBS-ULQDDVLXSA-N 438.498 2.353 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760287564 XECHVMLMRQGOSN-YDIMBITNSA-N 442.608 2.394 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760368050 SEPPHKHHXHAZDS-GFCCVEGCSA-N 440.733 2.012 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N(C)C)CC1 1760382291 NHUMTDLPOMJANR-IEBWSBKVSA-N 432.594 2.348 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1760490339 VAZVSKXBFMCJCB-YZUZCNPQSA-N 445.608 2.476 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@@H](C)C1 1760517310 JCCOGCDTYZOISO-AWEZNQCLSA-N 447.561 2.215 30 10 IEEE CCc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1Cc1ccc(C#N)o1 1763053922 ZMFYONZCIUUEIM-GOSISDBHSA-N 432.550 2.184 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1765497030 FQZHMKQBDBHSEX-PXNSSMCTSA-N 443.983 2.353 30 10 IEEE Cn1cnnc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC#N)CC1 1769051607 HQURNNARJPLJNS-UHFFFAOYSA-N 430.314 2.343 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C/C=C\c1ccccc1 1769845550 NRDJSQDYUCCCGZ-STISFXCESA-N 429.546 2.260 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1771241883 YYDYMMXKMVQZIX-KNQAVFIVSA-N 443.573 2.317 30 10 IEEE N#CC1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CCOCC1 1850620045 DKPXIWAZQBNRNP-MRXNPFEDSA-N 429.901 2.069 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)CC(=O)Nc3ccc(Cl)cc3)CC2)nc1 1851874375 LNZRWCNFYBCUDB-UHFFFAOYSA-N 427.892 2.301 30 10 IEEE C#CCS(=O)(=O)CCNC(=O)C[C@H](c1ccccc1F)N1Cc2ccccc2C1=O 1853085681 WGGMFNBRWIGITP-HXUWFJFHSA-N 428.485 2.077 30 10 IEEE CC(C)N1CCN(C(=O)c2ccccc2C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1 1853364260 RXCWVOMHEVZZOF-IBGZPJMESA-N 449.511 2.097 30 10 IEEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@H]1C 1854255580 DTGWVILPVUUHGE-CRAIPNDOSA-N 439.965 2.129 30 10 IEEE C[C@H]1C(=O)N(C(=O)COc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855718309 QQZZMDNSYVKHDB-AWEZNQCLSA-N 447.900 2.039 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)c3cncc(Cl)c3)C2)C1 1857472497 TVJCSKUWVFQYHZ-CQSZACIVSA-N 425.876 2.144 30 10 IEEE N#Cc1cc2ccccc2nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1858203810 YGVXYZIRRYPOEC-UHFFFAOYSA-N 426.523 2.205 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OCC)cc2)cc1 1858641345 ZJUNYEOXGKAYJG-UHFFFAOYSA-N 431.514 2.118 30 10 IEEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)CCc1ccc(OC)c(OC)c1 1861081430 BYFUDIDYXSAZSR-GOSISDBHSA-N 435.565 2.473 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 1862630782 BJCFIMSTEZWTCN-FQEVSTJZSA-N 439.420 2.147 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862748467 BWHOAJWOGWEWBL-LJQANCHMSA-N 439.424 2.318 30 10 IEEE COc1ccccc1-c1nc(CC(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)c(C)o1 1866672206 ZDJOVYBSPGQUTA-IBGZPJMESA-N 434.452 2.189 30 10 IEEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1C[C@H]1CCCO1 1870233332 KNGVXWRWAZCWCT-GOSISDBHSA-N 438.513 2.294 30 10 IEEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CSc1nnnn1C 1870255163 IJMYQOBBVHHSTC-OAHLLOKOSA-N 440.529 2.106 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCCOC 1870550181 MBWCHHQFMLQDPK-OAQYLSRUSA-N 447.576 2.075 30 10 IEEE CCn1c(C2=C(N)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)CC2=O)nc2ccccc21 1872730872 KIDJXXZSRHJYBZ-UHFFFAOYSA-N 434.452 2.346 30 10 IEEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(C(C)=O)CC2)nc1-c1ccccc1 1872798978 BJCSROCEJHNHIU-QGZVFWFLSA-N 440.525 2.327 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874280464 SSAQFLXXBPQKLN-FVUPAENESA-N 433.534 2.160 30 10 IEEE NC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(Br)ccc1O 1874444420 DLTXVNVWIFASHK-KXKLRXOYSA-N 426.296 2.057 30 10 IEEE C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889424874 GOHFYAJMNYFDCW-IBGZPJMESA-N 433.980 2.366 30 10 IEEE N#CC1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1890330878 YKWYFAMEHWVVTL-OAHLLOKOSA-N 445.010 2.296 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 1901324130 RUKXZSFUCUKCPE-OALUTQOASA-N 438.590 2.199 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)CCN1Cc1ccccc1 1914739479 TWXUTZYAIWCLNY-DHLKQENFSA-N 447.539 2.135 30 10 IEEE C=CCN(CCC(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985013704 QLLYNFPICWARON-HNNXBMFYSA-N 427.542 2.286 30 10 IEEE CC(C)(C[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)NC(=O)OC(C)(C)C 1990494747 MJMLOPSXZBGLET-CVEARBPZSA-N 425.574 2.452 30 10 IEEE C=CCC1(NC(=O)[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022847467 ZUZRMCCMJVAECB-OAQYLSRUSA-N 439.553 2.288 30 10 IEEE C[C@H](C#N)N1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2060821660 LNOAGFLCGOSNIB-DVECYGJZSA-N 441.576 2.212 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnc2c1nc(Br)n2C 2180901972 VZBQALNGIJHMTQ-SNVBAGLBSA-N 437.298 2.371 30 10 IEEE Cc1cc(Cl)c(C#CCCO)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2202844635 DECNAMZGRKFWGQ-UHFFFAOYSA-N 446.912 2.420 30 10 IEEE COC(=O)[C@H](CCNc1ncccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2224097433 LVOLDRFJWCDGOG-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2247845962 XWYDCYRUACCBMZ-UHFFFAOYSA-N 444.359 2.022 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247908393 SSQCOXCZRVGATK-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2250705769 RSRUHHSKAUKHJB-YWZLYKJASA-N 442.387 2.350 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255712369 MNTJAUPJDKSBJL-LXZKKBNFSA-N 431.342 2.299 30 10 IEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CNC(=O)OC(C)(C)C 2256062578 RWEOALVRACKANA-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE COC(=O)[C@H](CC(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256601052 NXEFQBVMVOIUSL-CABCVRRESA-N 438.330 2.279 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256628782 MMVZJXOMRWFUSV-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2257494043 IFIHLGDXFGLVSV-MRXNPFEDSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266991190 CNFPLKLEYHVYGH-NPMXOYFQSA-N 443.353 2.368 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267166781 XGHOILFCUWMCJJ-CABCVRRESA-N 446.357 2.151 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2267504032 MIRUBZFBZHBFKQ-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504681 VZKMUAMNFOYFLH-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267511277 ZTLDYWGCVKBMPO-HUUCEWRRSA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267525376 CUAIYCIJBDUWFH-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE Cn1nc(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2267536286 IGRPIHBAZMYWDI-OALUTQOASA-N 436.365 2.066 30 10 IEEE Cn1nc(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267548247 QTIDNSGTWRRPPB-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE Cc1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2268653855 SAHWIEQDWRAJJR-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)c1OC 2296618224 SNRROIZPINBLII-SFHVURJKSA-N 428.489 2.027 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315643544 OAFNYONNHGEVLV-GZBFAFLISA-N 449.382 2.428 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C=CC(=O)c2ccc(Br)cc2)cc1 2318403807 LATBUUCZJAMJKE-UHFFFAOYSA-N 437.315 2.194 30 10 IEEE COc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)c(OC)c1 2329175920 ZCOGFRZYSCCCQT-UHFFFAOYSA-N 441.513 2.376 30 10 IEEE CC(=O)NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(O)c(O)c1 2330742542 LPFWSCPKJDFVNI-UHFFFAOYSA-N 442.457 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)(C(=O)O)C1 2339265861 ZYDIUBARWPHORU-UHFFFAOYSA-N 444.293 2.310 30 10 IEEE COc1nc(N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339785553 YAOLVTQTICOUDC-CHWSQXEVSA-N 443.275 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](N)C#Cc2ccc(Br)cc2)(S(C)(=O)=O)C1 2351777385 OLROMWFJSFZPRB-HNNXBMFYSA-N 443.363 2.162 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@@H](F)C3)cc2Cl)OC1(C)C 2361992325 QTMJETOPPGAAAE-JTQLQIEISA-N 425.740 2.060 30 10 IEEE COc1c(Br)cc(/C=N/Nc2nc(=O)[nH]nc2C)c(OC)c1Br 169899309 DHTNJVFIBFBRDP-FZSIALSZSA-N 447.087 2.462 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CN4CCCCCC4)C3)CC2)o1 303743786 JGXLPJZIUUDPAC-FQEVSTJZSA-N 428.581 2.091 30 10 IEEE CC(=O)N[C@@H](CS)C(=O)Nc1ccc(Br)c(I)c1 310636800 ARSNPJIWNPWRDC-JTQLQIEISA-N 443.104 2.427 30 10 IEEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 439913276 LUELISXJJHDHEQ-FQEVSTJZSA-N 434.500 2.225 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(COc2ccc(C#N)cc2)o1 439929919 XGGAKKIINBKXAJ-JYBIWHBTSA-N 438.436 2.295 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2CCc3c(Cl)cccc3C2)cc1 443562089 UEPCWAQNFFBKAZ-UHFFFAOYSA-N 431.945 2.301 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccccc3C)c2=O)nc1 478752828 APZXYDFQSDXYFI-GOSISDBHSA-N 445.544 2.410 30 10 IEEE C[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCN1C(=O)c1ccccc1 489183349 MPHOVTVJCNSJBA-OFVILXPXSA-N 430.508 2.470 30 10 IEEE C=CCOc1ccc(CNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 505794711 FFDPJLJGCMBYBC-INIZCTEOSA-N 430.482 2.167 30 10 IEEE COC(=O)[C@@H](C)Oc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 506791557 WKOABQNQLGEASP-QGZVFWFLSA-N 443.525 2.005 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H]1c1ccc(Cl)cc1 509149332 FKJRDRKHASKXSG-WIYYLYMNSA-N 438.919 2.410 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 509219904 VGRWSCNTUFOMAH-CQSZACIVSA-N 435.468 2.433 30 10 IEEE COc1cccc([C@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 517353951 XXHHJEIFJKBTPF-NHCUHLMSSA-N 425.510 2.203 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 521741828 GVASPLKMPANUEK-HNNXBMFYSA-N 431.539 2.467 30 10 IEEE CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC)c2=O)cc1OC 523081531 XDKQDZTXJNSEHF-UHFFFAOYSA-N 442.537 2.218 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2nc(-c3ccccn3)no2)cc1 523673783 JBIYCYOKQQOUQM-KRWDZBQOSA-N 434.481 2.476 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)Cc2ccc(C(=O)OC)cc2)nc1C 526852202 APISCSHWKLDYNJ-LJAQVGFWSA-N 436.511 2.468 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 534129246 VOXLQAYIWUYYSO-GKCIPKSASA-N 446.960 2.440 30 10 IEEE Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC[C@@H]2CCOC2)c1 541900234 BHGHTMQTZIRUSH-MRXNPFEDSA-N 426.521 2.362 30 10 IEEE CC(C)CN1CCO[C@H](CNC(=O)CNc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 543862981 BEMKZIWPRNYDKH-QGZVFWFLSA-N 430.940 2.282 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 547319004 VDGLXWDIXLEYEW-UHFFFAOYSA-N 445.483 2.260 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCN3CCN(c4ccccc4)CC3)cc2C1=O 606420378 LBKDVZVYLYCCKA-UHFFFAOYSA-N 432.524 2.363 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c1OC 609253701 IAAASKOGZDSQSK-UHFFFAOYSA-N 426.448 2.382 30 10 IEEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 611840983 XGEAMDYXVUINGS-XCLFUZPHSA-N 441.879 2.239 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727813970 HKCKLUWZXWWRRN-UHFFFAOYSA-N 442.500 2.282 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn3ccccc23)c1=O 729670430 FYVQKFCCPMCRBS-UHFFFAOYSA-N 430.464 2.269 30 10 IEEE N#Cc1ccc(NCCNC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)nc1 731401069 KPPJNEQZZJTLHW-QGZVFWFLSA-N 429.502 2.140 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCO1 741392535 PQCGDOJNRFTINU-AWEZNQCLSA-N 433.515 2.498 30 10 IEEE COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1C#N 746873359 WKROYDGKCGWSDE-HOTGVXAUSA-N 443.525 2.295 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCO[C@@H]1C(=O)O 757445193 ZLQCUJPYEJMSKV-FSSWDIPSSA-N 448.475 2.275 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 758075289 HSKBKUSWOVEIAV-UHFFFAOYSA-N 432.423 2.314 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN(c3nc(N)ns3)CC2)cc1OC 758593829 KDYHWAMCWYXMKT-UHFFFAOYSA-N 448.549 2.007 30 10 IEEE COc1cc2c(cc1C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)OCO2 760240708 CMPRSALPPPGIFS-UHFFFAOYSA-N 439.243 2.177 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccc(C)cc2)sc(=Cc2cnn3ccccc23)c1=O 764972442 HZHRVEGCEJWLGQ-UHFFFAOYSA-N 426.501 2.438 30 10 IEEE C[C@@](C#N)(NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N)C1CC1 768418788 BNNCOCDFOBHVNT-IBGZPJMESA-N 426.481 2.089 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1ncn(C)n1 768422318 PXXQTBOWDXVLSV-HNNXBMFYSA-N 436.501 2.074 30 10 IEEE C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769637278 RVWGKWIXOAEZOL-UHFFFAOYSA-N 438.396 2.399 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4nc5ccccc5cc4C#N)CC3)C2=O)n(C)n1 770126367 RZMMXRHFZZCUSA-NRFANRHFSA-N 429.528 2.466 30 10 IEEE C#CCOc1ccccc1CNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771271130 YWAAWKWZIGUWMU-XMMPIXPASA-N 435.480 2.099 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)c12 778498389 VDQWRRPTYHICJE-CQSZACIVSA-N 426.498 2.074 30 10 IEEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)ccc1OC 779622344 IXCQQRXIHFHIJN-GOSISDBHSA-N 443.525 2.320 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 780198062 HIEXODGRGUQYJX-WMZOPIPTSA-N 438.484 2.399 30 10 IEEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 781002526 VOYAHXCUIICHIN-INIZCTEOSA-N 443.525 2.096 30 10 IEEE C#CCN(C(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC)[C@@H]1CCS(=O)(=O)C1 784479501 ZUJFUKMUEGTSIO-GOSISDBHSA-N 425.514 2.351 30 10 IEEE CC[C@@H](C(=O)OC)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 791630859 FCOHLTNKQHILSO-GJZGRUSLSA-N 431.489 2.098 30 10 IEEE C[C@@H]1COCC[C@H]1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 795183179 NGQBURMXJZGKMT-VYDXJSESSA-N 438.619 2.420 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1ccc2cc(I)ccc2n1 795251296 IXBKGHCYFCEQLG-UHFFFAOYSA-N 430.267 2.170 30 10 IEEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1C#N 795395900 ZXUWDEGJERKHRN-UHFFFAOYSA-N 439.287 2.351 30 10 IEEE Cc1cc(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(C)n1-c1ccc2c(c1)OCCO2 798741293 NFTIMZJNSASTDQ-HNNXBMFYSA-N 435.440 2.316 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccncc2OC)CC1 802503191 YAZXFFLASMBZOI-UHFFFAOYSA-N 449.515 2.105 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](c2cnn(C)c2)C1 849572660 CRMOENBYLVQNIZ-RJGXRXQPSA-N 448.571 2.417 30 10 IEEE Cc1ncc(S(=O)(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C#N 856552032 FWYHGEJEALZSJG-HXUWFJFHSA-N 429.546 2.339 30 10 IEEE C=CC1(CC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1136098335 CBSVSKUKEKQIDH-UHFFFAOYSA-N 429.583 2.168 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](CO)CC2CCOCC2)C1 1139483436 JPYSEYWDDLYPPQ-HNNXBMFYSA-N 436.350 2.298 30 10 IEEE CN1CC[C@@]2(CCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)C1 1141061521 XHWOPVQGJJACJR-QFIPXVFZSA-N 432.590 2.230 30 10 IEEE COc1cccc(C(=O)CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1152993888 FRKOBFBGEHFFQD-UHFFFAOYSA-N 443.525 2.293 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1155359551 UXEJDHVDKLNMFC-UHFFFAOYSA-N 435.546 2.070 30 10 IEEE CCOC(=O)C1=CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1166706635 ZUFURYVRUBSFKQ-MRXNPFEDSA-N 433.530 2.054 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC3(NC(=O)OC(C)(C)C)CCOCC3)cc2C1=O 1166932180 OGZYNAOBCNDHHG-UHFFFAOYSA-N 443.500 2.272 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 1168332553 ZJHCFEXBSYMONJ-GOSISDBHSA-N 428.897 2.400 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCc3ccccc3NC2=O)c(C#N)cn1CCOC 1216501668 BRAXYDOTBVEAEP-QGZVFWFLSA-N 439.472 2.258 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)C1 1225936549 FFVGUDWMYVTIRS-KSZLIROESA-N 429.521 2.344 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1286399179 AOFAWDZAAFACTF-QZTJIDSGSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCc1ccco1 1286421794 RQEFANQHCLCGPF-UHFFFAOYSA-N 432.440 2.226 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)C)CC1 1286472308 RWBSGCDTLCAZTI-GOSISDBHSA-N 442.539 2.085 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286501314 TXHQKYNYTQHMOF-QFIPXVFZSA-N 443.573 2.291 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1286505375 YKGGPRUVZWJJBX-INIZCTEOSA-N 446.964 2.324 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](COCCOC)C1)c1ccccc1 1286617189 JZWQMSQCQYIRQR-ICSRJNTNSA-N 425.533 2.432 30 10 IEEE CC(=O)N1CCN(CCn2c(COc3cccc(C)c3)nnc2N(C)[C@H](C)CC#N)CC1 1286888921 CFUUECQPVDJRMD-LJQANCHMSA-N 439.564 2.068 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1288526276 ULAZTHMZBFZHPU-KBAYOESNSA-N 428.562 2.434 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2nncn2-c2ccccc2)CCOC1 1296517449 GMIBIUNQXSATRB-VGSWGCGISA-N 436.520 2.298 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1300404050 UWGGBSOSBFNJOD-LJQANCHMSA-N 426.565 2.308 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1300409486 IFINVUMTDDCYGJ-KRWDZBQOSA-N 431.537 2.059 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300487105 GCVBSKDAFFZUTC-MRXNPFEDSA-N 429.571 2.215 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1300631820 WEVKUHKXQCHFBX-QGZVFWFLSA-N 432.546 2.095 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2csc([C@@H](C)OC)n2)CC1 1300697611 FKKZLDPYAYTLKD-AEFFLSMTSA-N 430.578 2.487 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300834078 IAXYAHGUNXIFCG-AWEZNQCLSA-N 433.310 2.076 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300991634 WCMQVXSSVATIMT-QFIPXVFZSA-N 432.569 2.274 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1313475644 ADYBHFRVKMIYOS-UHFFFAOYSA-N 437.548 2.180 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1315229616 UENCIVPUXGCBSV-CVDCTZTESA-N 438.532 2.259 30 10 IEEE COCCn1cc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1316110720 IEYRYXNEYTWUOQ-GOSISDBHSA-N 427.896 2.218 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(F)(F)Br 1316176009 FSUMYRWYUCQAIC-GXFFZTMASA-N 426.237 2.432 30 10 IEEE CC(C)c1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cs1 1340510820 XSEMXYNTWWRTRF-UHFFFAOYSA-N 440.550 2.398 30 10 IEEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1351451668 VHOGGMBLLDHENA-KBVGCWLLSA-N 437.861 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC=CCO1 1358895097 CLBRDRGPVRUGBI-JTHBVZDNSA-N 434.588 2.446 30 10 IEEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1358930591 YKSYJWQMFHMWAB-UHFFFAOYSA-N 427.553 2.337 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCN1CCC[C@H]1CO 1358945341 CJUFJNSISAEKPY-QFIPXVFZSA-N 433.560 2.437 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1358946494 XFDSHTDABYVROD-GOSISDBHSA-N 433.560 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN1CCOC(C)(C)C1 1358982592 CEXHIKOWWPQSIW-UHFFFAOYSA-N 425.508 2.180 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1359022188 QJHCURCXVFXQAS-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN(C(C)=O)C1 1359026941 PIKLAIQVJGMEMC-LJQANCHMSA-N 443.523 2.341 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCCC[C@@H]2C)CC1 1359047381 DTHGYTQKKLVWDF-IBGZPJMESA-N 430.597 2.045 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359227144 UUHRSOFUBACCKA-SFHVURJKSA-N 432.594 2.462 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cccc(F)c1 1360684229 MDAVTSLPZIOMTI-AUUYWEPGSA-N 438.504 2.102 30 10 IEEE CN(C)S(=O)(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1361253679 CJGUTDCFEBJSGD-AWEZNQCLSA-N 447.900 2.420 30 10 IEEE C#CCN(C(=O)Cc1ccc(C(N)=O)nc1)[C@@H]1CCOc2ccc(Br)cc21 1435175976 PCBZNNZOUPPSQT-QGZVFWFLSA-N 428.286 2.471 30 10 IEEE Cn1cc([C@@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C2(CO)CCC2)cn1 1450105422 DPNMAIQQNVMKOY-HXUWFJFHSA-N 430.549 2.391 30 10 IEEE Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccn2)cc1S(=O)(=O)NCC#N 1453612038 WUOMQNKTCNTNNS-UHFFFAOYSA-N 430.486 2.400 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1455711030 YOQILYCKLSKQAW-OAHLLOKOSA-N 429.583 2.050 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 1456854626 MHARXLIJRREPME-WOJBJXKFSA-N 438.488 2.043 30 10 IEEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 1460911045 CNBWBDRFTMDTLK-VQTJNVASSA-N 433.549 2.450 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C(F)(F)F)c1 1462367557 BNADHDFVGKIJAL-HXUWFJFHSA-N 442.397 2.350 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)Cc2ccc(O)cc2)C1 1466352631 SVGLJBAXTAUEQC-QGZVFWFLSA-N 430.302 2.182 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1475316666 UHVVKVZOSSZCDF-MOPGFXCFSA-N 428.576 2.263 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)c(C)cc2Cl)CC1 1476725493 PLZZNSAARLNRAR-UHFFFAOYSA-N 449.758 2.028 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1 1492467523 HFRJRWSIURCVHE-FVJLSDCUSA-N 429.546 2.148 30 10 IEEE COCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1504798984 WVFUPESXDKZZIF-UHFFFAOYSA-N 438.511 2.443 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1507519355 RIJALJMYIVYVEJ-AXHZCLLHSA-N 437.544 2.441 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(COC)CCOCC1 1507693541 CLZUPNBCHAZDPA-UHFFFAOYSA-N 431.562 2.172 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2cccs2)N2CCCC2)CC1 1507731914 DWZYFZYYBGMIIF-LJQANCHMSA-N 428.606 2.468 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508073316 JPXVQLVIJAQTJT-ZDUSSCGKSA-N 434.903 2.097 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)cc(F)c1 1508073584 YUBQCFSUJAYJSN-UHFFFAOYSA-N 441.442 2.142 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1508100760 OEOPEWXGBUZUKK-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1508147754 LRASZPBTULMIOL-UHFFFAOYSA-N 445.593 2.052 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509000017 LYLYQHYBLKTZRC-XDOYNYLZSA-N 435.532 2.255 30 10 IEEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCNC(=O)C(C)(C)C 1513916564 GHHVWWHXPOUCSR-UHFFFAOYSA-N 440.552 2.066 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CCC)C1 1515121269 DRFFGAHWGHKDMI-LJQANCHMSA-N 426.521 2.260 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1516096822 HFQVDRLNLUWUHV-KRWDZBQOSA-N 426.521 2.246 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)cn1 1519150521 GCKMEXVFDJMKSM-FQEVSTJZSA-N 449.490 2.336 30 10 IEEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1536663117 HVLCJYBAVSQJDJ-AZUAARDMSA-N 442.541 2.451 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1537881266 BOYUPZMGSBTWNE-AUSIDOKSSA-N 428.533 2.249 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539025881 NTDCYWZAFKSJAT-PKOBYXMFSA-N 448.579 2.098 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1539344810 KPDHDQPWPZKYHJ-XXBNENTESA-N 442.564 2.179 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)cc(OC)c1 1539395665 GCROJZAIEZERON-UHFFFAOYSA-N 438.463 2.207 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539611937 FKZWWDDJEXZNSH-UONOGXRCSA-N 433.372 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OCc2ccccc2)CC1 1540868328 AIMXSKSTPMWXAL-UHFFFAOYSA-N 433.516 2.223 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC)[C@H](C)C1 1540905772 ZILDQSGIERHDMA-QGZVFWFLSA-N 435.569 2.139 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1540907947 NHSMTAJTILGGDW-KRWDZBQOSA-N 434.610 2.176 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1541030608 DQECWOBMESMPIK-CVDCTZTESA-N 434.500 2.422 30 10 IEEE CN(C)CCN(C[C@H]1CCCO1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1543092227 QHYLFKIGNKYXRE-GOSISDBHSA-N 435.366 2.326 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1548266833 LKBIJRJOMNUQIM-IBGZPJMESA-N 448.531 2.251 30 10 IEEE N#Cc1ccc(N2C[C@@H]3CCN(C(=O)c4cnccn4)C[C@]3(CO)C2)cc1C(F)(F)F 1548365709 XULQXLCKAOGILQ-MGPUTAFESA-N 431.418 2.328 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C1CCC1 1554510782 HRDZXVIFNKGFTP-IBGZPJMESA-N 444.561 2.047 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C1 1555710066 IAIIYOZLAVUYQC-CVDCTZTESA-N 441.532 2.112 30 10 IEEE N#CC1(NC(=O)CN2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)CCC1 1559987716 SHGXHCPTSOGCGI-HOTGVXAUSA-N 426.414 2.225 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1570417965 BARDWOSISKKGQF-IAGOWNOFSA-N 428.558 2.347 30 10 IEEE C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1583966799 ULBRHDPNCMZSMP-XLIONFOSSA-N 432.565 2.312 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)C1=O 1586400624 DJERITONIXCJDD-SHACYNPGSA-N 447.495 2.492 30 10 IEEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1587392897 WEYXUVJTVIAKKY-ZDUSSCGKSA-N 449.392 2.066 30 10 IEEE Cc1c(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)cnn1CCC#N 1587474205 TZFKFEWSTBGLJU-UHFFFAOYSA-N 432.326 2.267 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1587611651 QWLPBFJZVVDWSA-UHFFFAOYSA-N 446.598 2.145 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588049358 FIEDCQQGMLYWDT-GOSISDBHSA-N 430.578 2.276 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(CC)C1 1588228613 HQGOXVHPXWKDJL-OAQYLSRUSA-N 446.603 2.257 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N(C)C 1588229604 YYJSFGFGKCSMDO-ZWKOTPCHSA-N 445.614 2.008 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1593741161 JTXIVUWOZHFJPH-QZTJIDSGSA-N 441.532 2.488 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@H]1C 1595162131 WYFQLUWPNOYVGZ-KKSFZXQISA-N 431.562 2.195 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br)C(C)C 1597083738 MONCECDUIVXGKP-AWEZNQCLSA-N 443.363 2.390 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1597813300 UFUXPKJZUJFELM-DAYGRLMNSA-N 437.587 2.344 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)N2CCOCC2)CCOC1 1610416659 QPMNQLSPOLISES-HSZRJFAPSA-N 446.596 2.169 30 10 IEEE N#CCc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1611128144 HNFFGQPEIKRIAB-SFHVURJKSA-N 442.497 2.378 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1611292440 NMMMGDWUXRTYLW-FUHWJXTLSA-N 447.561 2.283 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC(F)(F)F)cs1 1612405291 DUQGRDYOXHYQQB-KRWDZBQOSA-N 441.483 2.442 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H](C)C2)n1 1612502883 NVICKPXRYDNGHW-RXVVDRJESA-N 440.596 2.381 30 10 IEEE CCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1615789957 PPFCSDGWGLLGNU-GOSISDBHSA-N 430.578 2.029 30 10 IEEE COc1ccc(Br)cc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1619150564 AQXQJAVEJDFMMU-CJNGLKHVSA-N 448.321 2.330 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1619392343 GCHWMVJRVSSYRB-JOCHJYFZSA-N 438.532 2.366 30 10 IEEE COCCOCc1ccc(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1 1620064163 SWQPFRSDCRECTF-UHFFFAOYSA-N 447.543 2.391 30 10 IEEE Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1620635719 WRINCEKZFKAEPK-PTSWNOGYSA-N 430.555 2.316 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)s1 1627976099 AHXKZFFZRBCDJF-ZDUSSCGKSA-N 433.555 2.151 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCc4nn[nH]n4)cc3)CC2=O)cc1Cl 1629336392 CVLZNRZZHKCNKX-ZDUSSCGKSA-N 437.847 2.295 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1633301502 SFOIATZKWPWGTB-CVEARBPZSA-N 435.525 2.478 30 10 IEEE C#CC1(F)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)C1 1633366040 VLPLHNCXQQJSBX-CQSZACIVSA-N 449.367 2.033 30 10 IEEE C#CCN(CC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1634924377 SGFJHJCINBVBQY-JONQDZQNSA-N 443.466 2.114 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC2CCC2)CC1 1640159579 FRAJLQBEKHIHGW-LJQANCHMSA-N 432.590 2.417 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CCC3)[C@](F)(C(=O)OCC)C2)s1 1640320394 LMBSLABELKTTQX-LJQANCHMSA-N 444.550 2.039 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC[S@@](=O)CC(F)(F)F)C2)C1 1640357894 YDNKTWPOEVNBEY-ANTWCXJTSA-N 437.484 2.200 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 1644369646 NEZORFCKVJTYOQ-NRFANRHFSA-N 432.929 2.375 30 10 IEEE C=CC[C@H]1CCN1C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1648409329 GCKOQNPQLMJNAS-XJKSGUPXSA-N 443.363 2.159 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)CC1 1648547598 GSEMLOITTLOLAB-HNNXBMFYSA-N 449.939 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2cc(C3CCN(CC(=O)NCC#N)CC3)[nH]n2)CC1 1653854189 DBDCQGLELCPOCJ-UHFFFAOYSA-N 430.553 2.343 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CNC2(c3ccc(C#N)cc3)CCOCC2)CCC1 1654489934 WZFPXHPYRYGZAL-LJQANCHMSA-N 435.590 2.155 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1676569796 YELYQJVMJAQEEM-SFHVURJKSA-N 426.517 2.052 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690156018 RCPOZYSKEBKIDM-JKSUJKDBSA-N 443.639 2.039 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690180533 HHCMLYGVNHDTPC-GOSISDBHSA-N 430.622 2.078 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1690621802 AHBYVMOFYBOKNI-SFHVURJKSA-N 448.637 2.230 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1690683591 OVFHXNSPHHKSJO-IBGZPJMESA-N 440.548 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1690723634 XFTYFBNDCSJBHZ-UWJYYQICSA-N 433.578 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(F)(F)F 1690723866 CEHCKRCWCHKFDR-OAHLLOKOSA-N 446.451 2.390 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1690994034 UWEJVXTXCWXSLU-MAUKXSAKSA-N 446.939 2.263 30 10 IEEE CC(C)N1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1692493716 WRKKADYULPRSMX-QURGRASLSA-N 441.580 2.068 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCO[C@H]2C(C)C)CCOC1 1692590327 BXEWEPGRUSSGGA-NXWNEQKCSA-N 433.553 2.109 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1694222015 CMQQKMMUBMHISJ-SJORKVTESA-N 426.521 2.259 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@](C)(C#N)C1 1696501698 HIQMPDXPEBPGMH-GOSISDBHSA-N 437.957 2.063 30 10 IEEE CO[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1697686798 RXJOKDPSHJQLGZ-QNFDFVDRSA-N 430.553 2.254 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)F 1698060567 HBGRJKQWZRYLRQ-UHFFFAOYSA-N 435.410 2.121 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1F 1705476758 DWQHMPVIVHFAQF-JKSUJKDBSA-N 436.557 2.012 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705632215 JGAMZOAIKPZBJR-AZUAARDMSA-N 430.597 2.013 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1705652138 QUXGWWUJTKCZOT-HKUYNNGSSA-N 447.630 2.324 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705689234 GGCXMOJRXIMOHQ-ZDUSSCGKSA-N 428.356 2.042 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](COC)C1 1705706044 OUPXBDPUYMBVMB-HQRMLTQVSA-N 433.578 2.467 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705738734 INKZTXFNSGRUPE-HSZRJFAPSA-N 426.565 2.158 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705833292 AMERIFOKMUUNBV-HXUWFJFHSA-N 447.543 2.163 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3sccc23)CC1 1705896940 CCVCHAFFTZNLCW-HNNXBMFYSA-N 440.577 2.425 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1705913605 SQQNMKLDNHIICP-SCTDSRPQSA-N 446.573 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)Cc2ccccc2)C1 1705918308 GXLKNICOIZJMPG-HXUWFJFHSA-N 435.532 2.119 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1706748369 IJUQBJQMYUVUPV-XJKSGUPXSA-N 434.504 2.247 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 1710416006 GOLDMCHJLKQECP-CNNODRBYSA-N 434.585 2.025 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCSC2)cc(OC)c1OC 1711653597 FYAODZHFPZYSQP-GOEBONIOSA-N 445.545 2.453 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(-c4cccnc4)n3CCOCCCO)CCO2)c1 1712878247 BBYWLVXTKNSYAB-NRFANRHFSA-N 434.500 2.189 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(CC(F)(F)F)C1 1722307018 YGHMYIYGQOCFKY-QAETUUGQSA-N 429.487 2.344 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1722357048 YFTSHARHQADCKY-UHFFFAOYSA-N 429.528 2.225 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722365049 BTMBOMDOCGVSII-SFHVURJKSA-N 446.573 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC(C)C 1722394760 DTKONYYBJHAPOL-UHFFFAOYSA-N 431.338 2.413 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1722458932 YAVKIGXFQUZFAC-AZUAARDMSA-N 438.601 2.306 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCN(CC)CC2)CC1 1722580422 JLGHBKHIOJKMRE-VXKWHMMOSA-N 446.640 2.432 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1C 1722657984 DUQTYEAKCJGNKM-HOJAQTOUSA-N 445.589 2.460 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCOCC1 1722678787 YPKCRDIHSILMIE-GOSISDBHSA-N 443.548 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C2CCC(C)CC2)CC1 1722731029 BFZAPLGSLBDTIF-UHFFFAOYSA-N 439.626 2.116 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)cc2C)CCOC1 1728814852 AFQCMQXEAZWCOS-OFNKIYASSA-N 440.548 2.082 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(C)(=O)=O 1730323672 BIDFFWIJAUKTCU-FQEVSTJZSA-N 433.534 2.040 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCc1ccco1 1740547221 QPRMOBNQQPBKQZ-QGZVFWFLSA-N 429.484 2.498 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2(C)CCOCC2)n1 1740689432 WMWBECIRSFVTMX-IBGZPJMESA-N 442.564 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOCC(C)C)CC1 1740706194 SILLXOKFAZCLRY-FQEVSTJZSA-N 431.581 2.201 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740721402 HUEKDOXFBFVYSK-SFHVURJKSA-N 440.573 2.054 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1740725213 IUYOYLHZSGHXIF-YADHBBJMSA-N 428.537 2.499 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSC(F)(F)F 1740726221 ZILRTFJNMBZZFX-BXUZGUMPSA-N 425.502 2.133 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740863555 AQOWLKHMIZPZEH-QZTJIDSGSA-N 437.610 2.230 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)C)cc1 1748869326 BJBNHXCTSJNZLX-OAQYLSRUSA-N 430.484 2.080 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCCn1ccnc1C 1748875553 SKCCXUFGXRSVMN-UHFFFAOYSA-N 430.516 2.374 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)CC 1748956235 AFHBMEFTOJGQNP-UHFFFAOYSA-N 428.917 2.258 30 10 IEEE COC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1749344660 OHXFAORXSKIZKZ-FQEVSTJZSA-N 439.564 2.265 30 10 IEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1749450480 IQRVRSFMEKXMNL-SFHVURJKSA-N 444.923 2.183 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1749455400 UUGRRQLGNHYITA-QGZVFWFLSA-N 438.532 2.257 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1749575870 YJIHSHQWBOFLBC-KKSFZXQISA-N 434.537 2.405 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1749590721 DZNOEBGTDSSDBV-MOPGFXCFSA-N 447.605 2.493 30 10 IEEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3CCOC3)n2CCCCCO)CC1 1750379903 XWWGERJRVDOXOZ-KRWDZBQOSA-N 428.512 2.282 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760112550 IXULHQBUDOATOB-SJORKVTESA-N 432.546 2.113 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760136316 GAXRZWNLONUYNF-SFHVURJKSA-N 440.573 2.493 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760160033 WRQXTENNLHCBNV-AUSIDOKSSA-N 429.565 2.086 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCC1 1760194078 YSPUQDYYHGTFNF-UHFFFAOYSA-N 438.963 2.420 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCS(C)(=O)=O 1760197767 JFHUECDUXYLXAO-UHFFFAOYSA-N 441.376 2.277 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1760205913 MXQHIGRHESMKKU-HBMCJLEFSA-N 445.633 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1760219504 GNFZOGGIENTMSK-CTWPCTMYSA-N 447.605 2.071 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@H](C)CC 1760231901 KUHLRPZQNIXQAC-MRXNPFEDSA-N 445.593 2.003 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1nccs1 1760242529 GQYXUXXFESLWMR-HNNXBMFYSA-N 425.518 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2c(C)nn(-c3ccccc3)c2C)CC1 1760265753 INAJPOOTAZVYOE-UHFFFAOYSA-N 431.544 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCn2cccn2)CC1 1760270695 WMRPLZLYRBWJBQ-UHFFFAOYSA-N 445.571 2.430 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760451472 KFLZORGGLRACHB-PZJWPPBQSA-N 432.613 2.058 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760502556 CQWOVMACGKESPZ-GOSISDBHSA-N 435.532 2.371 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1760509526 MXNNDISWSDDWCG-UHFFFAOYSA-N 432.532 2.299 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760525139 VVNOAFKEGUGHFK-GOSISDBHSA-N 427.524 2.442 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1766345208 AXCNVOQOOVIWEB-VGSWGCGISA-N 428.512 2.428 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCC2)CC1 1766932367 LDTCCJUSBKOSCU-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1767627420 VULJVBNTMAVIFQ-YADHBBJMSA-N 442.495 2.176 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1769142740 SPBWLBBYMHWNOW-CYBMUJFWSA-N 428.443 2.478 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)C[C@@H]1C 1769495769 IUBBSBRFNRONBW-KRWDZBQOSA-N 425.537 2.434 30 10 IEEE COC1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 1770572477 GXMOEMFQBFCWFI-UHFFFAOYSA-N 446.577 2.007 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2F)nnc1N1CCC(F)(F)C1 1770832581 DMFSYBFPKRGYFK-VLGSPTGOSA-N 432.406 2.456 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCO1 1770961606 WCVVHOYHZCHGSZ-LSTHTHJFSA-N 427.505 2.005 30 10 IEEE COc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)nc2cc3c(cc12)OCCO3 1851087311 XBGBYLWSYPSBNI-UHFFFAOYSA-N 431.452 2.244 30 10 IEEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)c1nc(-c2ccccc2)ncc1OC 1851705187 PUNPNPLGNYPMJN-KRWDZBQOSA-N 432.484 2.458 30 10 IEEE COc1ccc(Cn2c3c(c(C#N)c2NC(=O)CN2CCCS2(=O)=O)CCCC3)cc1 1853044864 XGCFCKDDFVNRLK-UHFFFAOYSA-N 442.541 2.269 30 10 IEEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856544421 LNWPTYLYRMRFFO-AZUAARDMSA-N 437.606 2.140 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)Cc2ccccc2Cl)C1 1858335974 QSNVLSDGYZZHEW-INIZCTEOSA-N 439.946 2.094 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1)c1ccccc1 1861609356 NKPKMHAXFXGEBY-KNQAVFIVSA-N 449.507 2.376 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862630508 VSUUAYVVUMILKK-ADLMAVQZSA-N 426.381 2.283 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(CC)nn2C 1865226087 SWVYHJOFAJADOU-LJQANCHMSA-N 437.544 2.016 30 10 IEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873561663 UOXYQVMWGGIOHH-IRXDYDNUSA-N 441.532 2.210 30 10 IEEE O=[N+]([O-])c1cc2c(cc1/C=N/n1c(SCCCO)nnc1C(F)(F)F)OCCO2 1874462608 XAFSXFKWVNTXCV-UFWORHAWSA-N 433.368 2.333 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@@](C)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1982282288 WQUGXNWYRFPWKK-XFNZEKPQSA-N 431.374 2.332 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2010030420 ZVVYLJOXSBFFLZ-HUUCEWRRSA-N 441.525 2.167 30 10 IEEE C#CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2022904953 FUWZDLCBQDSACT-QGZVFWFLSA-N 439.553 2.123 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@H]4OCCN(Cc5ccccc5)[C@H]4C3)nc2)OC1(C)C 2129065323 WIJDOYVXRJRJIU-LEWJYISDSA-N 436.365 2.256 30 10 IEEE C#CCn1ncc(N[C@@]2(COC)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162308133 CVEHJSLBGXEYBZ-SFHVURJKSA-N 441.326 2.077 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@@H](N)C#Cc1ccccc1Br 2227493780 RIQRDUHYWAJRQW-JKSUJKDBSA-N 445.379 2.456 30 10 IEEE O=S1(=O)CCC2(CC1)CNC(=NC[C@@H]1CC1(Br)Br)SC2 2233039541 LQMJCJKVGAKBTI-VIFPVBQESA-N 446.230 2.380 30 10 IEEE C=CCCC1(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2243167929 MNEFWAZMZWNNKV-HNNXBMFYSA-N 427.542 2.192 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243370882 UMEQNMXFKCBSJF-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H](CCOC)NC(=O)OC(C)(C)C)C1 2247544292 DRHGJRPOALQKCO-JXORXQGFSA-N 439.553 2.339 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C)B1OC(C)(C)C(C)(C)O1 2247903688 IQAGRMRMSOAFRU-OLZOCXBDSA-N 440.293 2.035 30 10 IEEE CC(C)(C)OC(=O)NCCONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2255545255 NBWUIAGUUZGRKP-UHFFFAOYSA-N 435.330 2.308 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2255598306 OAJVXQCQNDYZBQ-AOMKIAJQSA-N 434.342 2.296 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627907 ACCDRKFIAZKUFO-ZDUSSCGKSA-N 434.346 2.036 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630087 FMKJTIGQBHMPDD-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631511 ZXMSNKDORFYPHR-CQSZACIVSA-N 436.362 2.474 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C 2255633978 KGLJEBDGCMINKE-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1 2255634575 ABSQALMZABBJDP-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CCc1nn(C)c(C(=O)NCCN(C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255659908 ZBHQDMBVVZHILT-UHFFFAOYSA-N 426.370 2.144 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255817821 BNYRZXXSPOLLOI-AAEUAGOBSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830208 BPEAEMCFYBNDTD-KGLIPLIRSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255871675 NKQPPRTYLKJOOB-SJORKVTESA-N 432.326 2.008 30 10 IEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CNC(=O)OC(C)(C)C 2255880974 ODCHGUBYYNWCEJ-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CC1(C)OB(c2ccccc2S(=O)(=O)NCC2CN(Cc3ccccc3)C2)OC1(C)C 2255950760 UAFQDVQIKGSWDQ-UHFFFAOYSA-N 442.390 2.396 30 10 IEEE C[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2256063400 OSTVGRDACUCAEC-AWEZNQCLSA-N 434.346 2.009 30 10 IEEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256625816 BZCJIYUONAHZAU-DLBZAZTESA-N 436.358 2.400 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2266994076 PWFGTBZUYVMWAH-CYBMUJFWSA-N 444.259 2.418 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2267117812 ZKGNAHZTNRIXCT-USXIJHARSA-N 443.353 2.427 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267268798 ZIKMCQTWEXAZBW-CABCVRRESA-N 449.332 2.458 30 10 IEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267550927 GDGYKGYDVRHFPR-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268634756 KEHMMAMZOWWUGK-HNNXBMFYSA-N 447.341 2.203 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268710492 IBWJGKOCGUMMOK-SFHVURJKSA-N 448.369 2.220 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268790741 VTZZYAJRFMNEMK-GOSISDBHSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(N)=O 2317348138 IYUSTYGOGABXQT-AUECHBEKSA-N 433.314 2.484 30 10 IEEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)ccc1O 2330785541 DJBFHQPIRSPKGG-UHFFFAOYSA-N 449.533 2.192 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339289460 XLQXMGSIWAYKOT-QZTJIDSGSA-N 443.353 2.322 30 10 IEEE COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc(I)c1OC(C)=O 13915298 FKNLESQNZNTOKE-AWEZNQCLSA-N 444.225 2.442 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)c1 20527434 HMGFWTUFVLUVGN-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3cccc(OC)c3)n2)o1 59881420 DXOFOQCFYIBTMO-SRZZPIQSSA-N 430.494 2.003 30 10 IEEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 59891435 MQFSWBKOVUZCCO-RGVLZGJSSA-N 425.540 2.161 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)c1OC 102749633 CFOVIXIDBJMZOK-HQMFNGAOSA-N 442.516 2.037 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1 105741129 KEVCESBRGNNPOK-HWFDSFFDSA-N 436.537 2.447 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cc(Br)ccc2=O)cc1 109937911 PORIZNQEKNHNRO-HNNXBMFYSA-N 447.314 2.023 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1SC[C@H](C)C#N 441237130 REWUSJYRJOXVAS-ORNVVXIYSA-N 445.541 2.302 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 443531339 QMRBPZMMWQPVHZ-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 460804652 QUGXDBKPXIQOTC-WMZOPIPTSA-N 435.550 2.430 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cc1 462093961 VRHZQVBNYAHYPL-LJQANCHMSA-N 431.456 2.070 30 10 IEEE C[C@@H](c1nnnn1C1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468968842 NMCYVJQPQRHFOB-INIZCTEOSA-N 429.550 2.117 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 475582508 BIERUYQRVPTRTR-UHFFFAOYSA-N 426.542 2.358 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)c(C#N)c2N)cc1 479684789 BGJXUBWSABBWKI-GCJKJVERSA-N 438.557 2.137 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1 487880984 NBKADGLSKJVJIX-LJQANCHMSA-N 431.489 2.168 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1F 488860768 QXKBOZUSJVBWFT-UHFFFAOYSA-N 437.518 2.350 30 10 IEEE N#C[C@H](NC(=O)CSc1nnnn1CC(F)(F)F)c1ccc(Br)cc1 499434357 FMWJLAIOIAIXDH-JTQLQIEISA-N 435.229 2.471 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)cc1 509416734 BRYHLDAIWVWBTI-UHFFFAOYSA-N 442.541 2.231 30 10 IEEE N#C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 511721921 JGGANILJELJPKQ-HXUWFJFHSA-N 431.489 2.160 30 10 IEEE CCc1c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 514006684 PIADMEYBDHCTCM-IEBWSBKVSA-N 431.496 2.107 30 10 IEEE CC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 514251751 FUMLBBSUGDKFDL-VQVYPDHKSA-N 438.467 2.169 30 10 IEEE Cc1c([N+](=O)[O-])cn(CCS(=O)(=O)c2cccc(C#N)c2)c(=O)c1Br 544042787 XZAYSPKOHVSVKF-UHFFFAOYSA-N 426.248 2.173 30 10 IEEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCS1(=O)=O 546608865 UWKQJNPUFPPYCW-MRXNPFEDSA-N 426.542 2.285 30 10 IEEE Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 551983743 RPVALRKRIBIPLE-QGZVFWFLSA-N 443.529 2.498 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccnc(OC(F)F)c3)C2=O)cc1 557182163 IIDUSQRCWVBJOR-OAHLLOKOSA-N 429.383 2.076 30 10 IEEE C=CCCCN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 605645168 RBMYAAHOEYUDBD-UHFFFAOYSA-N 448.589 2.434 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)ccc2F)c1=O 609739271 OYKMLQFOXIHTST-UHFFFAOYSA-N 442.512 2.183 30 10 IEEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 609744492 KBHDJLAHAKHWAJ-QGZVFWFLSA-N 432.477 2.432 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 610205669 OTAKIDJWNRPAFC-YVHKJVDXSA-N 439.516 2.433 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCC(O)(C(F)(F)F)CC1 677836445 KJOFDZBJLYKDPS-UHFFFAOYSA-N 425.276 2.361 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)CC1 726873713 WQBIVIYTAULHAI-UHFFFAOYSA-N 429.546 2.194 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c(F)c1 737188293 WVDAAZPNIOQOKB-UHFFFAOYSA-N 426.429 2.148 30 10 IEEE Cc1ccc(C)c([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[C@@H](C)CO2)c1 742000701 NWOKSKWNPNILEV-LPHOPBHVSA-N 427.526 2.331 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 742393288 JRPTYANPZKTWEM-UHFFFAOYSA-N 434.905 2.420 30 10 IEEE C#CCCNC(=O)C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 746039839 XTGHNLAQRKDOJC-UHFFFAOYSA-N 434.315 2.283 30 10 IEEE COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)cc1C#N 746876934 LGGCASVNRJEGJA-INIZCTEOSA-N 439.468 2.262 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)[C@@]12CCCO2 758865964 AGDVGYORPUYGFL-FOUBCARRSA-N 442.541 2.352 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 763572022 VAYIJBOKXSISLU-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE CC(C)C[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 768144391 QIBZIZNWWGAAPV-CYBMUJFWSA-N 444.351 2.138 30 10 IEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNc2ccc(S(C)(=O)=O)cc2)C1 794492249 JIWPJLLNHQFJKN-OAHLLOKOSA-N 438.550 2.251 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCN(C4CC4)[C@H](C#N)C3)C2=O)cc1 794852748 KIANDSVGXHUEIZ-RTBURBONSA-N 439.516 2.338 30 10 IEEE CCOC(=O)[C@@H](OC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(OC)c(Br)c1 798849784 ATZVEEIWEHCHRB-BONVTDFDSA-N 437.250 2.329 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802581475 QSZSNOUWFLRAAL-SFHVURJKSA-N 444.543 2.428 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 807743576 ONJVFHKTUSBJIA-PKOBYXMFSA-N 428.533 2.479 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC1=CCCOC1 807935835 VFHMZGIAMMNNPI-LJQANCHMSA-N 446.573 2.041 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 809227649 JMWJDQWVXVGIAY-OAHLLOKOSA-N 429.502 2.129 30 10 IEEE C#CCN(c1nnc(CCCc2cccs2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812260670 WJMKQFYIQGTSEK-ZWKOTPCHSA-N 448.614 2.321 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1149251468 UMEMMALLBGQURG-OALUTQOASA-N 445.516 2.232 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NCC1(C#N)CCOCC1 1159206961 DYKVZSPAMHSPMS-SFHVURJKSA-N 447.333 2.414 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1 1174895522 SDGGEVRBFRTLKL-WGSAOQKQSA-N 428.510 2.403 30 10 IEEE Cc1cc(F)c(C#N)c(NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)c1 1185949648 SQIHYASTBZTELF-UHFFFAOYSA-N 441.506 2.222 30 10 IEEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCC1 1198033194 BJLFWMBKFIOZOT-UHFFFAOYSA-N 425.554 2.208 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 1226082896 NIRNCXBQCPPKOA-QHCPKHFHSA-N 449.515 2.183 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 1264346579 IQJWGNIADNHSKD-HXUWFJFHSA-N 432.502 2.210 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCOCC(F)F)CC1 1286486221 DEODEJCOWAVYJB-UHFFFAOYSA-N 435.475 2.484 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286495853 GWMVUBJFNRVUSQ-GOSISDBHSA-N 439.589 2.356 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286504998 UGZNCGZQBPYUFS-UHFFFAOYSA-N 430.622 2.047 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286506288 HJLYIVCTFVKHAW-UHFFFAOYSA-N 432.638 2.293 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286508506 SVPFFJSTBCXWGK-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1286591584 IKVPWCAQOMBOEA-UHFFFAOYSA-N 438.580 2.130 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccco2)C1 1286802943 FENISCQNEOYPFI-YHYVQYDKSA-N 432.521 2.212 30 10 IEEE COCCn1c(NC(=O)c2ccc(C#N)c(OC)c2)c(NCc2ccccc2)c(O)nc1=O 1292698061 JYHOESHSWUYUBP-UHFFFAOYSA-N 449.467 2.340 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)cc1 1292821951 BIYONEQVBOVMBO-LJQANCHMSA-N 426.448 2.145 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)cc2OC)CCOC1 1296663401 ICBYPGMAHKPRDT-AVRDEDQJSA-N 427.505 2.024 30 10 IEEE CCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1297596939 QKYAHKPVAXHLIO-ACRUOGEOSA-N 441.532 2.488 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1298535566 GYHUSUIIQHFMGY-LJQANCHMSA-N 431.500 2.364 30 10 IEEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)C1=O 1298873455 ZKNXFUDTIQPGAZ-LJQANCHMSA-N 448.449 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCNS(C)(=O)=O 1300323335 YUAVVGWBXXZCJH-QGZVFWFLSA-N 433.578 2.296 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1300382641 YBKPKBPWZHCSKS-KRWDZBQOSA-N 430.553 2.279 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300493483 UZMJSXLSTLXCFN-QZTJIDSGSA-N 430.578 2.132 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1300495943 LIWFHGNPVWUEJY-VQTJNVASSA-N 442.585 2.268 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC=CO2)n1 1300681479 RARVGKYUIWFWLR-VQTJNVASSA-N 426.521 2.305 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)c(F)c2)CC1 1300682261 JJEFOELEEVHDEV-UHFFFAOYSA-N 442.539 2.148 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300753881 CRZQCUJEROYGGJ-SFHVURJKSA-N 439.589 2.289 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300766159 VHMPSGKEILOPDV-GOSISDBHSA-N 436.578 2.388 30 10 IEEE C#CCSCCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1C(C)(C)C 1300777883 FZQRATAAENMPIF-LJQANCHMSA-N 446.665 2.465 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300837603 RNOOEJPWJQTSIK-QGZVFWFLSA-N 438.351 2.264 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1300873375 FUKNMZHBEZIWLC-UYAOXDASSA-N 440.548 2.396 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300963116 OIVRHCNIWORHRL-KRWDZBQOSA-N 442.539 2.361 30 10 IEEE C=C(C)Cn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300970310 OOBRKQACGFGCBI-SIKLNZKXSA-N 430.553 2.305 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301186496 ANMRWSYGKPUMHN-SJORKVTESA-N 428.541 2.060 30 10 IEEE C=CCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301236203 BECLYSQGHYGZGD-QFIPXVFZSA-N 427.553 2.402 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301458479 RQZAFROYZFXQLX-UHFFFAOYSA-N 430.503 2.078 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC=C(C(F)(F)F)CC1 1301589204 PDCOQDXVLKKAQV-CQSZACIVSA-N 434.484 2.472 30 10 IEEE COC(=O)c1cccc(CN2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)c1C#N 1308107403 PCISBUARNUFLJL-GOSISDBHSA-N 443.500 2.187 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C[C@H]1C 1313935604 JAWRPHBPEAFCOY-QGZVFWFLSA-N 433.516 2.257 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1314775665 WJFKHVYMXRGNGB-DLBZAZTESA-N 441.923 2.380 30 10 IEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1315782054 OYJMOMIKMOILRV-IERDGZPVSA-N 429.546 2.114 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2CC[C@@H](OC)C2)cn1 1320974130 JJKLRKPEZGZDJS-BZUAXINKSA-N 443.533 2.221 30 10 IEEE Cc1c(I)cccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1354428918 NKOPZIXPXVRUBM-UHFFFAOYSA-N 437.241 2.283 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358963624 LEMUTOBNFQBUFG-OTWHNJEPSA-N 435.638 2.224 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358966870 YLFHJBUVCXSGKL-FQEVSTJZSA-N 427.574 2.275 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OC 1359008888 CRWGYJWHJSMQGP-UHFFFAOYSA-N 432.532 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2csc(C)n2)CC1 1359046501 UJNBDQMCLIHFRO-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCOC)CC1 1359098030 WTWPFFBWWFWCTO-PXNSSMCTSA-N 430.553 2.292 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359099537 PSCPIDRXDTUPNG-HCXYKTFWSA-N 438.594 2.167 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359129227 VROCAQUIIJIXED-SFHVURJKSA-N 449.577 2.444 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359135679 LJBYKQUAOBGYAW-FQEVSTJZSA-N 441.580 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359326600 FCNHIPOQGSWEOU-NRFANRHFSA-N 435.594 2.344 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1359367282 HEEXICLDCXPAOQ-IBGZPJMESA-N 436.564 2.253 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C1CCOCC1 1437878085 QXXPFINMCWNBRT-HXUWFJFHSA-N 434.558 2.418 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(COC)CCCCN2C(=O)OC(C)(C)C)n1 1448860583 RBZZPVOLYNAHJS-QHCPKHFHSA-N 448.564 2.298 30 10 IEEE Cc1nc(=NC(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 1456838937 SVQYJKVJMAQWOS-FUHWJXTLSA-N 425.489 2.335 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 1457746758 XGFUXNZDTWYPGQ-CABZTGNLSA-N 440.254 2.241 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)CS(=O)(=O)c2ccccc2)c1 1466316138 IGOLSJRPLYBHBO-SFHVURJKSA-N 433.551 2.466 30 10 IEEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCNC(=O)c1ccc(Br)cn1 1470071073 ZYWDTAUEWCMRTD-MRXNPFEDSA-N 428.290 2.432 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOCC(C)C)n1 1492753202 PSSGQBBSNLZUQV-OAQYLSRUSA-N 440.596 2.379 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C(F)(F)F)O1 1494252839 LRJCYJQFSGZBQJ-PSGMQZRDSA-N 448.449 2.451 30 10 IEEE CCN(CCCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1502184364 VJAAYVHXIOJCHH-GOSISDBHSA-N 440.570 2.044 30 10 IEEE COc1ccc(OCc2nnc(N3C[C@H](OC)[C@H](OC)C3)n2Cc2ccc(C#N)o2)cc1 1504313256 GZRYWEAIFRXJDO-BGYRXZFFSA-N 439.472 2.229 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CC)CCC2)CC1 1507734477 XNICGRYZJABENR-UHFFFAOYSA-N 426.565 2.060 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCC2)CC1 1507742347 HVFCQGBENVUJHZ-UHFFFAOYSA-N 438.551 2.070 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(C)C)C1 1507839252 BIKUNKBMZRGDMD-FQEVSTJZSA-N 438.536 2.375 30 10 IEEE CC(C)(C)CCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508621201 WRHARGMHWGFPAH-XUTLUUPISA-N 441.580 2.240 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCn2ccnc21 1509967654 BGENFNUVKHGSCX-SJLPKXTDSA-N 448.531 2.203 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CC=CCC1 1513026371 KNRLCSVUXDWGDY-OALUTQOASA-N 435.580 2.430 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1514145368 YMCJCKRKXLBNOP-IRXDYDNUSA-N 439.545 2.137 30 10 IEEE CCCCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1514514220 CHCHXIBQXBXZEQ-FUHWJXTLSA-N 446.577 2.398 30 10 IEEE COCCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1519346825 GYJPTCYKNIWPBL-UYAOXDASSA-N 427.505 2.322 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1519506336 GTMALWVXSPIWMG-XLIONFOSSA-N 433.509 2.413 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(CN4CCCS4(=O)=O)c3)CC2=O)cc1 1532106105 QRLUURQMKOQYLP-GOSISDBHSA-N 438.509 2.085 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(C#N)c2Br)c1 1534211796 QWEZLHLGXWFSOY-UHFFFAOYSA-N 438.303 2.498 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCN(C)C2=O)CC1 1539132137 FMPNSYFCAZRGHX-UHFFFAOYSA-N 440.573 2.132 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539203808 VKKSFWNQLVFOOG-KBPBESRZSA-N 436.500 2.170 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539230208 DBELUNYJHYKYJY-RTBURBONSA-N 446.573 2.217 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1539662759 ZXDWILKEVCYYCJ-UHFFFAOYSA-N 427.534 2.094 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540868026 PHVZSYCQHDVGMO-FQEVSTJZSA-N 429.484 2.092 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C)C2)cc1 1540877940 JUQWXLGLVFXOOM-WMZOPIPTSA-N 432.546 2.018 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1541116050 IOLKXFTYXARHFZ-HOCLYGCPSA-N 434.541 2.029 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1541806133 FMSJTWJNQPZBKJ-IBGZPJMESA-N 425.581 2.152 30 10 IEEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1546079109 GAYIRJBHQWTJNV-OAQYLSRUSA-N 446.577 2.294 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1547633295 UTVXIHDQZNGDNL-APWZRJJASA-N 436.520 2.250 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@H]3CSC[C@H]3O)C[C@@H]1C)C2=O 1565538622 FPYUQGZUQAFNTJ-WYGHBMJASA-N 439.917 2.230 30 10 IEEE Cc1ccc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1566621026 IJEXEKJTLSOMKK-UHFFFAOYSA-N 427.354 2.314 30 10 IEEE Cn1nnc2c1CC[C@H](NC(=O)[C@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)C2 1570816565 BGCFPRXVRSZQFI-OXJNMPFZSA-N 436.516 2.195 30 10 IEEE COC(=O)c1ccn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1585625560 OIPYBAHFHSOBKJ-OCAPTIKFSA-N 435.271 2.299 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1594497416 GUKLVWZVHMBOMI-LJQANCHMSA-N 430.597 2.129 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)C2CC2)CC1 1595517029 NAAPQPFESCSTCG-UHFFFAOYSA-N 442.951 2.396 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1595754864 QTAUILFJRXUJRK-DFQSSKMNSA-N 443.523 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1595805618 RHNIGSLTIQSLTJ-UHFFFAOYSA-N 434.610 2.499 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([C@@H]3CCCC(=O)N3)c2)cc1 1596365417 IHBVZOGFUZLPBB-IBGZPJMESA-N 426.498 2.472 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1606809917 TXIYIDVKALNGBU-MJGOQNOKSA-N 442.516 2.005 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@]2(C#N)CC23CCCC3)C1 1611545468 CARBXKRWAOAZGY-MGPUTAFESA-N 425.551 2.001 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)cc1C 1612134677 VVXGTUHHJNQDTO-QFIPXVFZSA-N 430.528 2.494 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(C)COCCO1 1616960936 RUNYUCXMCHOLKN-UGKGYDQZSA-N 427.505 2.070 30 10 IEEE COCC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1619767290 BTGVBUVFUCVPCS-XERREHJYSA-N 433.484 2.073 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2COC(=O)N(CC)CC)c1 1626976660 CUXBEZAPKNUFQT-GOSISDBHSA-N 435.546 2.071 30 10 IEEE C[C@H]1CN([C@@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)O1 1627851366 MCAWDCDADKMUFN-UKKNLYELSA-N 434.581 2.387 30 10 IEEE C/C(=C/C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)CN1CCOCC1 1628597818 YBPRXGWUFPLATQ-PZSQYBTKSA-N 447.377 2.436 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)Cn1nc(Br)c(Br)n1 1629246094 KLXQMSCTEGONSO-UHFFFAOYSA-N 443.099 2.358 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCC(O)(c3cccnc3)CC2)s1 1633427355 PRALRRGGUHPXPN-UHFFFAOYSA-N 435.571 2.097 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1633762894 KRVOYOHDKKXLKF-XZOQPEGZSA-N 431.540 2.341 30 10 IEEE C=C[C@@H](COC)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1634544266 YWXSTSFDFVDMMF-INIZCTEOSA-N 430.509 2.292 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 1635120804 BFNSDMMRLGOGNX-NRFANRHFSA-N 429.498 2.005 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 1636201605 TZLHENPRNUHWHC-YESZJQIVSA-N 444.598 2.188 30 10 IEEE CCn1c(SCC(=O)N[C@H]2CCN(O)C2=O)nnc1-c1ccc(Cl)cc1Cl 1641379297 UKLCWCARTJWBGG-LBPRGKRZSA-N 430.317 2.470 30 10 IEEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2ccccc2Sc2ccccc2C#N)n1 1647783449 SWGXUNNOKPFDRE-UHFFFAOYSA-N 427.511 2.302 30 10 IEEE CCCS(=O)(=O)N1CCC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1652295260 FCNSERDLNADMAD-QGZVFWFLSA-N 444.598 2.284 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)n[nH]2)c1C 1652737313 WIANZUPYVZFNHY-JOCHJYFZSA-N 444.536 2.178 30 10 IEEE COC(=O)C[C@H](CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C1CC1 1682728537 ZFRBYVRPCKZAAI-QGZVFWFLSA-N 438.532 2.456 30 10 IEEE CN(CCOCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(=O)OC(C)(C)C 1683993503 HFINAWRYIHILNX-UHFFFAOYSA-N 449.527 2.412 30 10 IEEE C#CCN(C(=O)NCCN1C[C@H]2CCCCN2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1687146689 XBJJLWBYPAJFEL-LJQANCHMSA-N 447.580 2.321 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1689832121 WYRBRVTWFIPPME-KXBFYZLASA-N 431.500 2.248 30 10 IEEE C#CCCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689905806 BCSBDSDCKRYTEP-ZEQRLZLVSA-N 445.608 2.423 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC1CCCCC1 1689949898 WDFXUCUWUCDUED-UHFFFAOYSA-N 441.532 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1689983590 DEMMFSGRKIQTAU-LJQANCHMSA-N 429.590 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2c(CC)noc2C)CC1 1690148287 BNKVNGMNFVJYKP-UHFFFAOYSA-N 447.543 2.137 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1690265016 IPBXRNZLWZZASF-LJQANCHMSA-N 445.589 2.381 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1690267103 UDASNKUXTQMRSU-INIZCTEOSA-N 436.557 2.077 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1690464471 CBFIOASETZUGCX-BZSNNMDCSA-N 425.599 2.450 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCc2ccccc21 1690609593 UOQMDJDWAWLUPT-DEOSSOPVSA-N 448.527 2.398 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CSCCS1 1690620342 YPHYMORZXIBPOT-CQSZACIVSA-N 437.591 2.493 30 10 IEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690633138 LBMKTORDUDZBSN-UHFFFAOYSA-N 447.381 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1690663241 QOOLQKJLMCFKQI-HOTGVXAUSA-N 431.562 2.133 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1690676854 GQRUDJGOXGDLNL-HJPURHCSSA-N 443.523 2.495 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCOCC2)C1 1690687936 LIANJBBNTGJJGN-SFHVURJKSA-N 444.532 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 1690722398 HWERDGPZIORDMF-UHFFFAOYSA-N 444.605 2.396 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1692015148 QPOISZQDWBBGQH-AUSIDOKSSA-N 438.532 2.068 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1692347147 ZAJAAWYUSQEMLM-INIZCTEOSA-N 430.534 2.459 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1693865466 LDJUPOAMTKKAHC-VQIMIIECSA-N 429.546 2.476 30 10 IEEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)C1=O 1696885698 OMIPVAXIOGAMBD-HSZRJFAPSA-N 438.532 2.130 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccnn1C)C1CC1 1696890797 FWYOUKUJGMJFLW-UHFFFAOYSA-N 432.532 2.491 30 10 IEEE CO[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1697138288 MCILACSTSCOBEN-ROUUACIJSA-N 449.481 2.408 30 10 IEEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1698016078 XGNJWGIPLROOOG-SFHVURJKSA-N 434.491 2.255 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705545052 NPCWJXSWCMOUKE-AVRDEDQJSA-N 444.557 2.146 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1705660821 HUWPWNWKPAOWIC-UHFFFAOYSA-N 430.553 2.226 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1705662201 SJCBXNSTAXFLKM-OAQYLSRUSA-N 440.552 2.260 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705746081 QDWPPDMNOMVBPO-RCCFBDPRSA-N 427.977 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2)C1 1705922256 JIYGXMNGHPKTBZ-IAGOWNOFSA-N 427.505 2.076 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(N(C)C)CCSC1 1708718848 BZFDGAOIASSCEA-OAQYLSRUSA-N 433.626 2.374 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1711226122 XGWJAFPXYXKLDO-HTXNQAPBSA-N 427.509 2.051 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1C[C@H]1C 1712557509 SFENXTVWNHDTGZ-ZHALLVOQSA-N 425.537 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1722306742 VSOCTDRKCVIFRK-BDXSIMOUSA-N 433.553 2.312 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722370286 BFWVYOUOEYSAAA-WOJBJXKFSA-N 444.626 2.443 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC2(CC1)OCCO2 1722452912 MDSZAWIOFSNFTL-UHFFFAOYSA-N 433.578 2.002 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722581359 UJALOTBJDDFGAR-INIZCTEOSA-N 429.525 2.386 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CCS(C)(=O)=O 1722654463 NXLIEZJJDNKRQJ-SFHVURJKSA-N 434.562 2.418 30 10 IEEE CC(C)(C)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1723001920 LDONXGLXNMICJN-XUTLUUPISA-N 441.580 2.383 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1(C)C 1723018199 UOMZQPWTTLJTOK-QBPKDAKJSA-N 430.553 2.188 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(F)ccc2F)CCOC1 1723690834 KGGBLPWIJOCAST-DYESRHJHSA-N 433.459 2.374 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnn(CCOC)c1 1727010636 WNGKIWUFXOOIJK-SFHVURJKSA-N 449.563 2.276 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)C1=O 1729593205 CYLOWXGWIGXKSL-JPYJTQIMSA-N 438.532 2.070 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1729777458 CUDVVIWAKUZAJC-SFHVURJKSA-N 440.548 2.316 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C[C@@H]1F 1731143456 PUSKBMIVDASFLR-UTKZUKDTSA-N 442.539 2.370 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCc1ccccc12 1740580997 MSMVWGGUCAIQQJ-KRWDZBQOSA-N 443.573 2.328 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(C(C)=O)CC1 1740631556 BWTGDTPKOQBKEU-UHFFFAOYSA-N 443.349 2.367 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1740794019 YSPDLQFNJRMZTL-OAQYLSRUSA-N 438.576 2.361 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)c1ccccc1 1740796836 FSIWHDLYAIFFIH-YSIASYRMSA-N 445.589 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(OC)c(O)c1 1740989474 NXMUCIYKYNQGKP-UHFFFAOYSA-N 445.545 2.235 30 10 IEEE C[C@H]1CCCCN1CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1743060196 AUOSPHKOYBQMRQ-PGRDOPGGSA-N 431.560 2.497 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCN1CCOCC1 1743361402 FBCDVOXHWNEXMU-LJQANCHMSA-N 440.548 2.066 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](COC)C2)c1=O 1746363594 CVYJTWCMKXDXBA-UWJYYQICSA-N 448.527 2.287 30 10 IEEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC=C(Br)C1 1748044149 IRXYIVWQTJJRGA-UHFFFAOYSA-N 425.294 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCC1 1748647134 JFXBPYPFGOXXFM-KRWDZBQOSA-N 443.621 2.490 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1748679905 KUTCOULCRJXJPN-CQSZACIVSA-N 429.908 2.331 30 10 IEEE C#CCCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748764055 GTWWFCCCWMCSPH-QHCPKHFHSA-N 431.581 2.427 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCO[C@H](C)C1 1748772831 YZDHDZCRXWAKCF-WBVHZDCISA-N 430.578 2.431 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749123636 GZMQBYKERJZQEN-LAUBAEHRSA-N 441.532 2.270 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C 1749141293 YKHRQSYFXFBGHS-FUHWJXTLSA-N 439.626 2.465 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749204563 JZNZLYBWQMYMDY-NRFANRHFSA-N 432.546 2.457 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749239465 KQFLUNNRVRMPBJ-KRWDZBQOSA-N 431.468 2.230 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749450475 INRQLDSIZSOIEE-SFTDATJTSA-N 443.596 2.414 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749672216 SVXJDDAIBPFKLR-CZUORRHYSA-N 441.429 2.466 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@](C)(CC)C1 1749680424 LBPZQZANJJZLGZ-QFIPXVFZSA-N 429.521 2.173 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1750076644 QNEJRTDHSMVPJT-HKUYNNGSSA-N 425.537 2.048 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)C1 1750195722 YEMWRYGEMOGYAN-MOPGFXCFSA-N 427.530 2.175 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760137744 XGZXDLJECPOMSU-CQSZACIVSA-N 425.518 2.379 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1760187819 XVKOWSJPTMZVNV-SFHVURJKSA-N 443.573 2.232 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1760190741 YFHPLLFTBSCYQS-FUHWJXTLSA-N 431.587 2.110 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760192605 KOJZAXJZGMPARZ-GUDVDZBRSA-N 438.594 2.208 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H]1OC 1760227123 VSMIZVIGNNZNEX-ICSRJNTNSA-N 445.589 2.470 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1760516808 VYXSQFUVXJUJIN-HNNXBMFYSA-N 446.527 2.210 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760519991 XADKSOCPHFXPGO-OALUTQOASA-N 441.532 2.412 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1760677951 PNVTVNWDSUARKP-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1762363744 KAOQNRAAAJGMDT-BBWFWOEESA-N 434.541 2.204 30 10 IEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1765652923 BDMSHNPZWYKPBB-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1766648717 PCOCGIZGVLJGHW-VQTJNVASSA-N 439.539 2.338 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCSC)cc(OC)c1OC 1768282159 YYPXCDVQIFOFBX-HNNXBMFYSA-N 433.534 2.453 30 10 IEEE CNC(=O)c1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1769178831 BKIKREWYUIPXCX-QHCPKHFHSA-N 437.548 2.149 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CCO1 1770943027 CCJPVIWYBUAAPB-KNQAVFIVSA-N 442.589 2.106 30 10 IEEE COc1cc(-c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)n[nH]2)cc(OC)c1OC 1849438637 AQELFQBCTIVIFU-UHFFFAOYSA-N 448.483 2.332 30 10 IEEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1 1849766607 CAXRRKIFEMWMGZ-SFHVURJKSA-N 446.916 2.050 30 10 IEEE O=C([C@H]1C[C@@H]1C(=O)N1CCc2ccccc21)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851218125 HNEKNNJDBJFNHZ-STQMWFEESA-N 429.420 2.082 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 1852209070 IPZKXSDLMVEMRT-KRWDZBQOSA-N 438.619 2.470 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1852762544 KKPQMQOEWVRJGP-QGZVFWFLSA-N 427.461 2.327 30 10 IEEE COC(=O)Cn1ccc(=NC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)[nH]1 1853081051 WNDKQSJYXSZQTD-HXUWFJFHSA-N 443.463 2.076 30 10 IEEE Cc1cccc(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1 1853284902 PETPNTZYNHBUQY-HNNXBMFYSA-N 425.514 2.176 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2F)C(=O)C12CCCCC2 1854487996 OWVMNDFPDPJCPS-UHFFFAOYSA-N 439.484 2.124 30 10 IEEE C[C@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C(=O)C12CCCC2 1854498499 OAGOABPHQJXZFV-MRXNPFEDSA-N 435.521 2.275 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCN(Cc3csc(C4CCCC4)n3)[C@H](C)C2=O)CC1=O 1855153199 UMTHNALYNWYYCX-NVXWUHKLSA-N 430.574 2.395 30 10 IEEE CCn1cccc(C(=O)Nc2ccc(C(=O)NCC(=O)Nc3ccc(C#N)cc3)cc2)c1=O 1860868257 SPXXSOJDKQSQCV-UHFFFAOYSA-N 443.463 2.361 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)N3CCn4c(C#N)ccc4[C@@H]3C)CC2=O)cc1OC 1866320180 WYWJTIZPSGQYTJ-FUHWJXTLSA-N 436.512 2.371 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1CCOCC1)n2CCCC 1873580636 BXXRKEZUYWJOLB-UHFFFAOYSA-N 426.565 2.472 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3cccnc3)CC2=O)cc1 1874198405 ZUONAYZPSLRGKR-OHHQFBAHSA-N 438.513 2.169 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1ccc(OC)cc1 1890025779 OWWBBPGITBQYQX-VXKWHMMOSA-N 429.586 2.304 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)cc1 1891003499 RRUAIFZPEBEPJV-UHFFFAOYSA-N 427.530 2.449 30 10 IEEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC(COc4cc(C#N)ccn4)CC3)cc12 1891653477 DYBXMAQOYQMLAB-UHFFFAOYSA-N 426.502 2.023 30 10 IEEE C#C[C@@H](CO)NC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 1984739823 NVFVKNCVJNWJMO-LBPRGKRZSA-N 430.242 2.362 30 10 IEEE Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)ccc1C#N 2174787996 ZTCLCAPSGDCSTM-UXHICEINSA-N 429.498 2.229 30 10 IEEE C#C[C@]1(C)COCCN1C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2215659279 XTEGEIBNZUGHHY-RPWUZVMVSA-N 427.545 2.407 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2216015966 ZWUNGAFSNITLOU-SFYKDHMMSA-N 428.533 2.153 30 10 IEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224128914 ZWJZTFKBYHJMQK-HOTGVXAUSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2232321150 OJYBXFUEMQUSKV-ZWKOTPCHSA-N 445.369 2.453 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247832404 OQFDWXOHUJHXBK-BETUJISGSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2247928090 WTLXMPUKGJZENO-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255596058 LLARDSAFHMCGOW-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255701444 RFTRIRWUTQBLJY-INIZCTEOSA-N 431.342 2.414 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256016906 BIGXXXSEWWVMAZ-LBPRGKRZSA-N 436.314 2.040 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256626645 MMVZJXOMRWFUSV-LRDDRELGSA-N 438.305 2.338 30 10 IEEE C=C(CN(C)C(=O)c1c(CNC(=O)OC(C)(C)C)nnn1C)B1OC(C)(C)C(C)(C)O1 2256678829 QRZVLZYPEZOHEM-UHFFFAOYSA-N 435.334 2.099 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)c(F)c2)OC1(C)C 2256905697 NWTSMXOCPNXVBM-UHFFFAOYSA-N 449.309 2.400 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)n1 2267172367 WHKJFRCIYUTTOE-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)nc2)OC1(C)C 2267542107 MWDIIPWHPKRKNP-ICSRJNTNSA-N 434.349 2.122 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876567 NYOUZPIRQCSBAX-HNNXBMFYSA-N 448.373 2.493 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2268642906 HEAKGWKGUAMEPO-QGZVFWFLSA-N 448.369 2.220 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3C[C@@H]4[C@H](C3)[C@@H]4B3OC(C)(C)C(C)(C)O3)C2)C1 2268903862 RMOZQMFFSOJKIW-BCDXTJNWSA-N 447.385 2.088 30 10 IEEE CC#CCN(CC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2316057396 MUFHICWNNLNGKH-UHFFFAOYSA-N 443.544 2.482 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1[N+](=O)[O-] 2331569131 AYCRQWVQBFXDFG-UHFFFAOYSA-N 433.475 2.402 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(Cc2ccccc2)CCC1 2337177378 RUXTYNYENWBSJE-UHFFFAOYSA-N 438.381 2.458 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337197272 VDVOZTBAYNTVAT-CABCVRRESA-N 448.373 2.189 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)n1C 2337329499 CUCLWHKEHUGQHH-KOSHJBKYSA-N 436.365 2.032 30 10 IEEE C#CCn1/c(=N\C(=O)c2cc(OC)ccc2OC)sc2cc(S(C)(=O)=O)ccc21 12663498 LTLVHYMXKAHQQM-QZQOTICOSA-N 430.507 2.498 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cn1 20827754 YHYLAHPXRGPHAN-SCDDIDHTSA-N 427.538 2.185 30 10 IEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1 102753019 SSHFZSQJHRTPIO-AGGMBTAESA-N 438.528 2.181 30 10 IEEE CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 427304809 NQGSAWGQBJNFAQ-UHFFFAOYSA-N 441.469 2.263 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)n1 471031805 NZBOCDFDBAVPCI-UHFFFAOYSA-N 430.486 2.276 30 10 IEEE CCCc1c(NC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)cnn1-c1cccc(C#N)c1 488710431 DUCLYSPTOUHEBN-LSDHHAIUSA-N 440.504 2.274 30 10 IEEE C[C@](C#N)(NC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F)C1CC1 507419094 GRJZMDUUYHIACM-ZRZAMGCNSA-N 425.508 2.245 30 10 IEEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508476367 CQTOXOQHSYJVKU-FQEVSTJZSA-N 430.622 2.348 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508496345 DDRMWRJNUHOKRL-CQSZACIVSA-N 449.353 2.297 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 508874997 SWGRXALWAHNZJX-HYFFOGBASA-N 436.520 2.270 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCCC(=O)NC)CC1 508911597 BJEGLNSYTUAEEP-LJQANCHMSA-N 427.505 2.098 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 515649456 PKGASMVYFYZAMM-OAHLLOKOSA-N 426.519 2.438 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 521022797 QEQILAUIZJZCIJ-OAQYLSRUSA-N 446.507 2.361 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)Cc3ccc(C(=O)OC)o3)cc21 526898117 OGKXNUJGYFFZOD-BRRNQIAESA-N 431.466 2.498 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1-c1ccccc1C 532352994 UNYRRBNEQJVHML-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE Cc1cc(N2CC[C@@H](NC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2=O)n(C)n1 543886162 XAELHDIRYZDRTH-OAHLLOKOSA-N 438.879 2.366 30 10 IEEE COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546207676 CUKOSORPEGBHKE-SFHVURJKSA-N 439.903 2.378 30 10 IEEE C=CCn1c(Cc2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)nnc1N1CCOCC1 551355283 KRIQXFKDADSIFN-UHFFFAOYSA-N 446.393 2.227 30 10 IEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 561550301 XEAXUBIVKVWXIA-GOEBONIOSA-N 431.901 2.409 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2nnc(C(F)(F)F)s2)CC1 565129340 WLWHAGXHTCKCJS-LBPRGKRZSA-N 445.471 2.139 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)nn(-c2ccc(F)cc2)c1N 590067184 TUIIUADMXVBGOG-HNNXBMFYSA-N 448.506 2.246 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3=NCCC3)cc2)ccc1Cl 603974304 LUIWDLKKGGZGRO-UHFFFAOYSA-N 438.918 2.483 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)CC1 648446848 CGJDVFGEVXSNGA-UHFFFAOYSA-N 432.528 2.178 30 10 IEEE C[C@@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 686164621 BYHHGGONRQFNPB-HBUWYVDXSA-N 433.530 2.342 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727814522 HLJLBFMLFBQNBH-UHFFFAOYSA-N 427.551 2.082 30 10 IEEE CC1CCC(NS(=O)(=O)CC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 731733525 DZWKTUKMDMVGPG-CHMNLVMASA-N 441.594 2.347 30 10 IEEE COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OCC(F)(F)F 732417249 CYOANFDYMRLLIT-NXVVXOECSA-N 428.367 2.284 30 10 IEEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1C(=O)Nc1ccccc1 732706114 FSWOROCXCKBCTL-LJQANCHMSA-N 431.496 2.385 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 733894589 CYVHXQRXDCVQIR-RLBWVDARSA-N 439.447 2.498 30 10 IEEE COC(=O)[C@@H](OC(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1)c1ccc(C#N)cc1 740251845 XDACMXABELNCNR-IBGZPJMESA-N 433.413 2.131 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@]1(C)CCCO1 756078875 OHOXFGBILRJJOZ-XMSQKQJNSA-N 448.589 2.264 30 10 IEEE N#Cc1ccc(N2CC[C@@H](OC(=O)c3cnn4cc(Br)cnc34)C2=O)cc1 769901638 YOQFOFANFDBFKZ-OAHLLOKOSA-N 426.230 2.326 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 779856129 ZRHMMQWYOZYNQW-HXOBKFHXSA-N 428.533 2.266 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(C)OCC)c1 780323683 XXFCAPLSRAYJLS-IBGZPJMESA-N 444.601 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)C1 783077361 PRZOYKPAPKWPGA-OAHLLOKOSA-N 445.472 2.131 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)[C@H](C#N)C1 789727725 HHPRKJJSNXPVRJ-ZIAGYGMSSA-N 431.493 2.320 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(C#N)cc2F)(S(C)(=O)=O)CC1 796188658 YVKKEKCMJIAPQE-UHFFFAOYSA-N 439.509 2.128 30 10 IEEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1C[C@@H]1C(F)F 802042161 MYNHCLZTEWBJTN-HRCADAONSA-N 425.457 2.410 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802553204 CWUHTLSYQWJPFY-FDDCHVKYSA-N 426.517 2.492 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cnn(Cc3ccc(C#N)cc3)c1)C2=O 1132792837 UCOKDHYJHWWQOJ-RSQQPWMTSA-N 434.500 2.488 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)cc3nc(O)[nH]c23)n1 1139834176 YHIZVOFVIVTNED-UHFFFAOYSA-N 432.278 2.150 30 10 IEEE C=CCC[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OCC 1140930004 NYYZDLDMUGFQJJ-HXOBKFHXSA-N 425.485 2.142 30 10 IEEE COCCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1141800738 HBAXAEYGPMLYDC-UHFFFAOYSA-N 444.351 2.236 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1142737777 XMVOMRYGCHTIAB-FQEVSTJZSA-N 447.601 2.174 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1154114069 RROOLUHXEYRSHM-ZDUSSCGKSA-N 443.909 2.387 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(CS(C)(=O)=O)CC3)C2)C1 1159257486 AQGYPBCPRPEFOB-BATSVXPKSA-N 439.578 2.056 30 10 IEEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1167298551 SKBLTPUZXQCLFG-FQEVSTJZSA-N 435.528 2.171 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCC3(CC2)CC(=O)C=CO3)cc1 1176610558 PETNQJQKECLRRC-MRXNPFEDSA-N 435.546 2.038 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 1221992760 FQGOTZKDKHJNGS-UHFFFAOYSA-N 425.489 2.201 30 10 IEEE C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cc1 1252459596 TYUOAGHFPOVCOO-JKSUJKDBSA-N 440.305 2.139 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286345881 QXIKSZRITRPQJN-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286504622 UAKGCTMPKHVWNF-UHFFFAOYSA-N 441.605 2.416 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1286557617 JPXJOQRPIBVIPN-SJBKTWHCSA-N 439.560 2.110 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286612058 VDLWBMXGBAAKIX-YLJYHZDGSA-N 446.621 2.383 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@@H]1CC 1286781419 YQSIMWXUPBWGHJ-ROUUACIJSA-N 440.548 2.052 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286791152 UWQUKZCNCCVEBZ-GOSISDBHSA-N 435.532 2.195 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1286805194 QTEXSBDHFUBLED-AEFFLSMTSA-N 436.507 2.411 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)C1 1299032036 DDVYUQNZEBQFFT-XXBNENTESA-N 438.532 2.116 30 10 IEEE CC(=O)N(C)c1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1299659706 FNKKZLKCCWHNRN-UHFFFAOYSA-N 443.529 2.302 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300357783 XLURJSKUWDRPEX-QGZVFWFLSA-N 426.521 2.114 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300416177 ANTKDPAIIJNCIS-REWPJTCUSA-N 449.603 2.056 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300495028 BTIMAMDPAQZVCC-GJZGRUSLSA-N 434.484 2.489 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2nccs2)CC1 1300688931 MUPVTVVORYSMFJ-UHFFFAOYSA-N 438.557 2.417 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@](C)(CC)C1 1300746120 PGJUEPBRKRITHA-NRFANRHFSA-N 438.561 2.293 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1300767205 SODSAVHILMRJQK-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCOC[C@@H]2C1 1300834537 SYVQUNRERONXFW-AWEZNQCLSA-N 439.745 2.423 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CC1 1301220045 WJQXIZBCOOTTJS-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O 1301280751 VGHQXRQJPRCKQU-UHFFFAOYSA-N 428.356 2.187 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCOC(C)(C)C 1305121302 HXSSCMKZRPDJFR-MRXNPFEDSA-N 435.536 2.465 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c(=O)nc1O 1312307618 CHNUPWNGKATQHF-GOEBONIOSA-N 435.406 2.475 30 10 IEEE Cn1cc([C@@H]2[C@@H](CNC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC(=O)N2C(C)(C)C)cn1 1313008827 DQRDYBKHYWMKCP-UZKOGDIHSA-N 434.544 2.446 30 10 IEEE CSCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1316471951 IIYOSPRKEZLONW-GOSISDBHSA-N 437.570 2.433 30 10 IEEE CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1356550839 JTZITAAYNJWDQA-INIZCTEOSA-N 442.541 2.337 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1358918978 NGBVULYZPLUZBH-UHFFFAOYSA-N 438.507 2.029 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1358930334 STLVKPXVOILECA-ZWKOTPCHSA-N 433.553 2.473 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)C)C1 1359323884 YYSBKTDGWREWOT-IBGZPJMESA-N 437.548 2.070 30 10 IEEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1359633316 DUDRRYYYMMBIKG-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1=O 1360018917 YRNHPJHSLRYEAI-UHFFFAOYSA-N 442.589 2.237 30 10 IEEE COc1ncc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)cc1C#N 1439468395 FSPMVWVVBQSRKR-LJQANCHMSA-N 431.811 2.160 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2nc(O)c(C#N)cc2C)CC1 1445602159 VZGQQMYDTSHVSH-SFHVURJKSA-N 428.876 2.293 30 10 IEEE CC(C)(CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@]1(O)CCOC1 1452143604 AJKMUESDQACZAN-JOCHJYFZSA-N 428.489 2.316 30 10 IEEE CS(=O)(=O)C[C@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 1452690690 FEYITOHSYGGGIA-QFIPXVFZSA-N 425.554 2.467 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(n4cc(C(N)=O)nn4)CC3)c2C#N)C1 1460440609 DMNYVJPWOMVUJX-ZDUSSCGKSA-N 441.561 2.101 30 10 IEEE C=CC1(CC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 1464599695 FYKXPKOXHPNTOW-UHFFFAOYSA-N 442.560 2.265 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OCC 1475305603 NDAZRQBPIZFJJY-AWEZNQCLSA-N 432.926 2.227 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1C 1503248129 FHKSKXVRJSVMHT-LPHOPBHVSA-N 431.562 2.360 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503530052 BDJOIUQOIFONIC-WFJJUKAGSA-N 426.521 2.101 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1503942887 FUBRGKHTALRKJP-QRVBRYPASA-N 442.564 2.309 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507626545 ASNYWCCVXIEWDJ-FPOVZHCZSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1cccnc1N1CCOCC1 1507666363 GVRDUONBJLUMKM-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](OC)[C@H](C)CC)CC1 1507723694 QUASDUNBKMRUOW-XLIONFOSSA-N 449.559 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OCC)cc2)CC1 1507741012 JFJLHSOJQSOJQL-UHFFFAOYSA-N 425.533 2.227 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507764646 SJRNHAAEAYYBDK-XMSQKQJNSA-N 443.573 2.370 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1508095132 LVVCHNTWOHESAE-ROUUACIJSA-N 444.580 2.369 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1509939945 PCQIHGPIMAYNRP-SGTLLEGYSA-N 434.342 2.263 30 10 IEEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1518367394 VBOVUSURHVZIDI-XDOYNYLZSA-N 447.499 2.220 30 10 IEEE Cc1nsc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c1C#N 1518997813 VGYKUPKJMNKZGT-KRWDZBQOSA-N 448.302 2.491 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c(C#N)cn1CC 1528985728 BFEDKESTVLNHKN-UHFFFAOYSA-N 432.502 2.495 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1538976548 MPEKAWQWGGGSSA-SFHVURJKSA-N 442.585 2.146 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCN2CCC(O)CC2)c1 1539038740 UCCFKWDTOLTBTE-UHFFFAOYSA-N 438.576 2.305 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)n1 1539424928 YOOWJSIMTAZFQH-UHFFFAOYSA-N 433.516 2.070 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNC(=O)C(C)(C)C)CC1 1539441063 JVNPBXONMUJHGT-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539674650 ZWGHGRPEHQRGDK-MRXNPFEDSA-N 438.623 2.318 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539903234 UZEYPHWKCBXYIB-VPSFDDGASA-N 425.599 2.088 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1539918453 NCHJFKBSIZTPFF-UHFFFAOYSA-N 437.566 2.479 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1540864970 QIEKWIAGQGDCOV-SFHVURJKSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1540877240 OLKIMDLQGZQBJH-WFXMLNOXSA-N 443.523 2.437 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1540909879 RDWWQMLBLBUWIW-HUUCEWRRSA-N 433.669 2.385 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1540910065 WJCFLDMRDMXOJL-ZDUSSCGKSA-N 427.621 2.432 30 10 IEEE CC1(C)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)C[C@@H]21 1541997501 GLSVEMIROZFMGQ-HOTGVXAUSA-N 448.449 2.499 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)[C@@H](C)S(C)(=O)=O 1542096706 UZXMOLCQOJRMHG-TWPDKZRQSA-N 443.591 2.287 30 10 IEEE CNC(=O)c1cccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c1 1542359492 LEYZWUJHQATACN-FRIYVGAWSA-N 426.517 2.449 30 10 IEEE Cc1cccc([C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)N2CCOCC2)c1 1543821826 PXISTRDAWCIOEK-OAQYLSRUSA-N 445.516 2.235 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1547097051 UPRHWDGHYURURI-RWNPKEDZSA-N 429.569 2.096 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)CC1 1547728744 QGVYXNKZYFJNTB-KNQAVFIVSA-N 437.592 2.315 30 10 IEEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1548230997 OCOHVQIOTRSBJI-JXFKEZNVSA-N 439.557 2.219 30 10 IEEE CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1548317357 AJIBNXZTXOAPDM-UHFFFAOYSA-N 442.589 2.174 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1554420301 CPGWOIFRUSPKPR-LJQANCHMSA-N 432.532 2.178 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1555196492 AMSRNXSFLMQSRW-CEWLAPEOSA-N 441.532 2.254 30 10 IEEE COCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1555497649 ZBNHRIRPCWIDOA-QGZVFWFLSA-N 434.541 2.158 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(Br)n2)CCO1 1555994209 GHLRTNAKBYPZJK-MRXNPFEDSA-N 440.305 2.198 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 1555995742 DKOUKUZBEXRMAT-GOSISDBHSA-N 427.553 2.152 30 10 IEEE N#Cc1cccc(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1Br 1556364273 NCNRTYFCOYKMNX-UHFFFAOYSA-N 426.336 2.351 30 10 IEEE C#C[C@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1560209291 LUSARVPACIQWRN-IBGZPJMESA-N 437.544 2.352 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cc(Cl)cc(Br)c1)c1cc[nH]n1 1570378092 QINZBQUDSITNDS-UHFFFAOYSA-N 443.685 2.426 30 10 IEEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CCN(c3ccsc3C#N)CC2)c2ccccc21 1584481694 BFQFXQCBRWMFGJ-HSZRJFAPSA-N 438.553 2.344 30 10 IEEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Oc2ccc(C#N)cc2I)C1 1586273914 DAQBGNSQTXZDCV-NWDGAFQWSA-N 429.210 2.427 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(Br)c1F 1586932880 ISAPWAIGEZLAMD-UHFFFAOYSA-N 430.230 2.405 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CC1 1587555212 DEPFBIZEIICNAS-INIZCTEOSA-N 429.546 2.182 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1588263428 VSEPIPDXUNWMTR-GOSISDBHSA-N 443.573 2.432 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1589403709 CDAHWMLPATZAFY-HZPDHXFCSA-N 437.342 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1589506229 TXBGGKGHNZGTBW-HQRMLTQVSA-N 433.520 2.498 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNS(=O)(=O)CC)CC1 1594202476 RHDYLKNQVGKABR-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1594693117 QPNCHFQWPUKUCW-AEFFLSMTSA-N 445.545 2.250 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cnn(C)c1 1594992262 DAEJYVGOUMQYBE-MRXNPFEDSA-N 440.577 2.294 30 10 IEEE N#CCCN(Cc1ccccn1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1616434459 DPZRBGXIHWKEIR-UHFFFAOYSA-N 437.319 2.065 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)cn1 1618419902 BKJRHJDBSFZRTH-UHFFFAOYSA-N 432.444 2.229 30 10 IEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)CCOC1 1619052083 CFQUILXYSOEODP-QHCPKHFHSA-N 438.532 2.104 30 10 IEEE COCC[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619799600 NCXUGQKAWBLMFN-BSBNDGSWSA-N 440.504 2.236 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 1620220117 GYZWQQPSIAVPEX-HNNXBMFYSA-N 446.602 2.182 30 10 IEEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1627286374 XFSVOBCOIOHHQC-NSHDSACASA-N 444.303 2.432 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 1628703038 UGNIBDXVOQCJRT-HNNXBMFYSA-N 438.431 2.384 30 10 IEEE Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1630687107 HQYNIBSMKPEMQQ-NCELDCMTSA-N 445.545 2.196 30 10 IEEE CNS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cc1 1635336965 ZWMMRXCXLAWFPI-UHFFFAOYSA-N 445.350 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1637505771 INLWEWDBLWLLQB-ZBBYCGENSA-N 434.537 2.446 30 10 IEEE CC[C@@H](CN1CCOCC1)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1638678170 BZTJQESKMNRQBQ-KRWDZBQOSA-N 427.505 2.250 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 1639770387 KQCMCESVDYZVAT-HNNXBMFYSA-N 428.514 2.172 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NCC#C[C@@H]3CCCCO3)ccn2)CC1 1640380130 BRLMOQYMDCOOON-IBGZPJMESA-N 428.533 2.441 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1 1644926204 KNMANXJFZFXQQA-AVRDEDQJSA-N 447.557 2.260 30 10 IEEE N#CC[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(F)(F)F 1652244843 RTJJANOCYQNBPJ-IEBWSBKVSA-N 444.413 2.461 30 10 IEEE CN(C)c1ccc(CNC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1659328694 CUAPAHGEYJACHL-UHFFFAOYSA-N 443.555 2.453 30 10 IEEE C#C[C@H](NC(=O)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(C)C)c1ccc(F)cc1 1674014963 NEPPCPJFVYEWJD-IRLDBZIGSA-N 441.503 2.388 30 10 IEEE COc1cc2c(cc1OC)[C@@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)CCCC2 1675576284 JFZGMRUXRPOELQ-WJPUGNRLSA-N 433.530 2.051 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)c1ccccc1 1682352703 SBGXANOUYISWFH-IBGZPJMESA-N 443.525 2.094 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)OCC)(C(=O)c3ccccc3)CC2)C1 1684083076 OICJVBNFQCWTLD-FQEVSTJZSA-N 425.529 2.322 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@H]2CCOC23CCOCC3)nn(-c2ccc(F)cc2)c1N 1687811139 OEJXIYFZWVRAFJ-IBGZPJMESA-N 442.495 2.035 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689984112 LLHAUIWGRNOQPG-PXNSSMCTSA-N 429.590 2.084 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1689986913 ZPUJYVCMCPCGOB-SFHVURJKSA-N 439.516 2.349 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCS(=O)(=O)C1 1690048883 RMXZNYKBFLTAQP-MRXNPFEDSA-N 432.496 2.045 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(C)C)CC1 1690122261 MBKXNIHKDWLGDD-UHFFFAOYSA-N 435.532 2.164 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1690155460 KFHFGAPMPPQMIY-QAETUUGQSA-N 425.624 2.270 30 10 IEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1690171043 VHWKDZXXAMPCPV-UHFFFAOYSA-N 434.529 2.330 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1690414797 KUKAMOOADFDCBK-FQEVSTJZSA-N 430.597 2.160 30 10 IEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1690550521 XUVJEVAXGIHLCN-UHFFFAOYSA-N 429.484 2.426 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1690673482 WPEYZUVSSCSANJ-UHFFFAOYSA-N 444.967 2.129 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1694211377 COAMFSDOSBLEKX-PXNSSMCTSA-N 449.559 2.323 30 10 IEEE CNC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697001843 KTHHJHWPNFNLHV-UHFFFAOYSA-N 437.891 2.270 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1705491892 JAVORTRYLTZDOL-JENIJYKNSA-N 427.574 2.089 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1705524413 LMCJVEFWENQODR-XEZPLFJOSA-N 434.393 2.322 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1705549615 BVNAPEWBGWNBMD-UHFFFAOYSA-N 435.532 2.049 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560923 OLZUJBUAWGNESC-SFHVURJKSA-N 435.638 2.467 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 1705592148 QONBZBVHYVCEAU-UHFFFAOYSA-N 438.963 2.226 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NCC)c1 1705601138 ZCBLGBCWSADYNC-UHFFFAOYSA-N 443.555 2.401 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@](C)=O)cc1 1705611783 PERHFJBSZJDMAQ-HKBQPEDESA-N 439.541 2.392 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCO[C@@H]1C 1705627194 YIQHITJTFKZGRN-HXOBKFHXSA-N 437.500 2.226 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@](C)(O)CCOC)CC1 1705635345 WLXVNSSBAMYRIW-URXFXBBRSA-N 425.577 2.363 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705894717 ISHPRBPWKCYMML-INIZCTEOSA-N 441.536 2.012 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705907037 YHUBAPOLXCIKMJ-LPHOPBHVSA-N 429.521 2.029 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@@H](C(F)(F)F)O1 1708183081 WMUBBQAEEITBML-BBRMVZONSA-N 447.425 2.050 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1708302867 MSZGFCDQRLENSV-FTRWYGJKSA-N 442.520 2.010 30 10 IEEE CC/C=C\Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709402716 LNHNFIXZTOLIAL-LIMHQNJXSA-N 425.562 2.412 30 10 IEEE CCn1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CCC(C)C)c1=O 1710191526 COYSMUJGRLTSIR-GOSISDBHSA-N 425.537 2.225 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1710376159 LOCIIAQEDRWVHP-IBGZPJMESA-N 439.520 2.058 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1710834898 SNLPRXZOUOODQC-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE COc1ccc([C@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1711719492 BLVPPJXQEOMWSC-VQIMIIECSA-N 426.521 2.347 30 10 IEEE COC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1712160683 DDNHUJSYZBRISA-FQEVSTJZSA-N 448.527 2.260 30 10 IEEE COCCN(C)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1712422772 DXFAMJBSZAVJAN-HNNXBMFYSA-N 449.353 2.015 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1722293654 DNLKEKFGMFNLJG-MAUKXSAKSA-N 430.530 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCCCCC2)CC1 1722446138 ORFSCILLPQMXJG-UHFFFAOYSA-N 436.560 2.391 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722499187 GBURCSFUOLDFBX-KRWDZBQOSA-N 441.584 2.319 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722696446 NTQNZZJDERYIGV-KRWDZBQOSA-N 440.523 2.129 30 10 IEEE C[C@H](OCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1724008326 SRFUALSNUMKWTO-ICSRJNTNSA-N 438.532 2.411 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1727607148 IMVZQWDHNSTMPD-UHFFFAOYSA-N 444.543 2.184 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1 1727658478 GEVGZBKSIMHYAC-FQEVSTJZSA-N 431.500 2.081 30 10 IEEE CS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(C#N)c1 1731007847 AONNDBNJBZHZFF-HNNXBMFYSA-N 433.444 2.382 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(C(=O)N3CCCC3)n1CCCC(F)(F)F)C2 1731180643 ISISHKSGMHOZGV-UHFFFAOYSA-N 449.437 2.392 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1740595484 TYCTUWWJGSJNKY-UHFFFAOYSA-N 445.589 2.405 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1740725095 MFQQFNTUFUZJIF-MTNREXPMSA-N 445.589 2.178 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1740727011 WFLFSGUDMPKMPA-RTWAWAEBSA-N 446.598 2.209 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1740900004 KVNSTLWJVIVLHY-SJORKVTESA-N 437.541 2.014 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1740958633 RZJBAVFFYJLOQB-OALUTQOASA-N 438.532 2.272 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@H](c2ccccc2)C1 1740963762 WKTYBWZNZNYHQW-NRFANRHFSA-N 449.559 2.410 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@H]1CC 1747372224 JOLQTOYRTFICNR-OAQYLSRUSA-N 449.563 2.046 30 10 IEEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1cc(F)ccc1N1CCOCC1 1748772378 NHABWPXGFHQWCB-KRWDZBQOSA-N 431.512 2.096 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1748819450 OWHUHUZVUYUYIQ-KRWDZBQOSA-N 445.570 2.210 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](CC)N2CCCC2)CC1 1749011142 VZYRIHZLWQSJRP-HXUWFJFHSA-N 435.576 2.180 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1749056781 SUPVVPUVQJUJCM-MHECFPHRSA-N 437.544 2.441 30 10 IEEE COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1749340976 VKLHIPXSLNYZLY-UXHICEINSA-N 440.548 2.032 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749434444 SVNSMZFYJYNKLJ-UHFFFAOYSA-N 428.562 2.391 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1750378855 NWVDNNMNPMNEJE-UWJYYQICSA-N 449.481 2.062 30 10 IEEE Cc1occc1CN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1751359615 FLSTVOFRWCLXJN-DQRAZIAOSA-N 447.499 2.328 30 10 IEEE Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)c(=O)n1C 1751517955 GUHAFTHASPOJLY-UHFFFAOYSA-N 428.500 2.242 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(C)=O)CC1 1760157117 DZVGAXYJXYAKCU-UHFFFAOYSA-N 428.562 2.036 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760160266 CFCMVKQYBVNLFS-SFHVURJKSA-N 425.537 2.101 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCn1ccnc1C 1760240404 QBCNVEBMQDWBPI-UHFFFAOYSA-N 435.507 2.498 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760286028 ZFVZKIWNYCHJGR-NRFANRHFSA-N 429.521 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1760321952 MCVCLLIGEFJLQZ-MKXGPGLRSA-N 438.594 2.167 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760341334 UZWQRJSRWMUCNX-NRFANRHFSA-N 444.923 2.469 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760348648 GKNNYITWKQVKMH-AOIWGVFYSA-N 445.568 2.407 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760431108 DUDBCVLVSSCHAR-QGZVFWFLSA-N 443.939 2.042 30 10 IEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760508685 DXSRNBQBYULKFN-CQSZACIVSA-N 447.337 2.458 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760528218 WCVQUSDQFQFDLS-MSOLQXFVSA-N 445.589 2.421 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1765306677 COFFXKDNXCKWQF-MJGOQNOKSA-N 438.532 2.259 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1769586312 GNBVBTYMTOBOGV-FXAWDEMLSA-N 429.521 2.394 30 10 IEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)CCOC1 1769780852 DUTFOIQDJODXQT-HSZRJFAPSA-N 449.515 2.003 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCO3)n2CCCOC(F)F)CC1 1771534261 SZANTOZCJDEEDV-MRXNPFEDSA-N 433.463 2.352 30 10 IEEE C#C[C@H](NC(=O)NC1CCN(CC(=O)NCCC)CC1)c1ccc(Br)cc1 1772509778 LWLYEOBAOWQOBW-SFHVURJKSA-N 435.366 2.413 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1)[C@H]1CCN(C)C1=O 1848749888 JSFYOUQIQKLHLB-KBPBESRZSA-N 445.994 2.048 30 10 IEEE COc1cccc(C#CCNC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)c1 1850834334 WDTPFWPPPJDIRM-UHFFFAOYSA-N 434.540 2.173 30 10 IEEE COc1cccc(COc2coc(CN3CCN(c4nccc(C#N)n4)CC3)cc2=O)c1 1851645245 UAUJERYHORCCFG-UHFFFAOYSA-N 433.468 2.211 30 10 IEEE COc1cc(C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)nc2cc3c(cc12)OCCO3 1852714954 DCDMKXNUBBGRON-AWEZNQCLSA-N 434.408 2.258 30 10 IEEE CCS(=O)(=O)c1cccc(CN(CC2CC(N(C)C)C2)C(=O)c2cnc(C#N)nc2)c1 1853457838 CTTOTTARBVBMEZ-UHFFFAOYSA-N 441.557 2.124 30 10 IEEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC(Sc4ccccc4)CC3)C2=O)CC1=O 1854206151 CFHPJHSPSVVRAA-YLJYHZDGSA-N 427.570 2.405 30 10 IEEE N#CCC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)C2(CCCCC2)C1=O 1854411448 ZTPNEKBETPHEGP-UHFFFAOYSA-N 427.896 2.103 30 10 IEEE CN(C)Cc1ccc(CCC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1854910683 FYWCZZJYMZEQCJ-HXUWFJFHSA-N 443.525 2.100 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1856262314 INRSUBOOAHQKLC-HNNXBMFYSA-N 445.928 2.343 30 10 IEEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C1=O)CC2 1856518775 OMOAADPQGJBUEJ-DZGCQCFKSA-N 437.468 2.050 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1 1862555147 AJZRTRBHUYTCET-HXUWFJFHSA-N 425.460 2.318 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862634155 UXLBBQUMCKVHBZ-YUNKPMOVSA-N 441.436 2.479 30 10 IEEE COc1ccc(CCc2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)cc1OC 1874568491 BHNXTZSBHHOQRB-UDWIEESQSA-N 448.526 2.498 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1908524541 UBPDGOUHFMBMET-BZUAXINKSA-N 440.541 2.060 30 10 IEEE C=CC1(NC(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2019461553 JHYDNVYFVBQOPO-ROUUACIJSA-N 429.517 2.396 30 10 IEEE N#Cc1cc(-n2nc(C3CNC3)c(I)c2Br)ccn1 2070596216 SWIPXYLWNBETPV-UHFFFAOYSA-N 430.047 2.193 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)NCC3CN(Cc4ccccc4)C3)c2)OC1(C)C 2247880527 GUEQAXRRXPQUKF-UHFFFAOYSA-N 448.419 2.458 30 10 IEEE C[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC[C@H]1NC(=O)C(F)(F)F 2254801207 IRJORMBXKYPKTI-DGCLKSJQSA-N 431.239 2.413 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255652444 UXADTRHNXVXDAL-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@H]1NC(=O)OC(C)(C)C 2255873876 PAAQPRIZQXYWRY-GOEBONIOSA-N 433.358 2.310 30 10 IEEE C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255950754 TWWVVRXXAXOLHS-QGZVFWFLSA-N 446.378 2.343 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)CNc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2255993733 NNIJFNZGKTUWHC-CQSZACIVSA-N 437.302 2.192 30 10 IEEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256626260 HVCVOMUTSWMVQM-OAQYLSRUSA-N 435.330 2.249 30 10 IEEE COc1ccc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267008352 DYVVHEIDNYEORC-HNNXBMFYSA-N 448.325 2.275 30 10 IEEE Cc1cnc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267115131 GQHHABVJPKXCNB-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]1CC2 2267146627 LLRWYHXVSUSEPD-SQWLQELKSA-N 446.357 2.369 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1NC(=O)OC(C)(C)C 2267549730 PCEKWTCRQQZZSE-GOEBONIOSA-N 446.357 2.151 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268645693 VQHIUBFSUIITRQ-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268649510 DFQOGZJVVGMBFJ-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE O=C1C[C@H](c2nnc(SCCO)n2N=Cc2cccc(O)c2)CN1Cc1ccccc1 2325925238 OJWFQEHRPUBGRJ-SFHVURJKSA-N 437.525 2.466 30 10 IEEE N#CCSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N12 2968573 WYPVAZQEQCFKEX-MRXNPFEDSA-N 447.476 2.337 30 10 IEEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)c1 21326137 FPZQDPUYHSVBCG-OEAKJJBVSA-N 425.518 2.245 30 10 IEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)NCc2cccs2)c1=O 21359702 OIPCPUDLWMHBPM-UHFFFAOYSA-N 445.570 2.174 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 27901368 NXPDYBOQIYJGRY-UHFFFAOYSA-N 426.605 2.086 30 10 IEEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(CCCN(C)C)C2)nc2ccccc12 170574601 FGIKHNKJURBDOK-KRWDZBQOSA-N 445.527 2.339 30 10 IEEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431218418 LDCKTFDLBIQSOJ-UHFFFAOYSA-N 447.626 2.335 30 10 IEEE C[C@H]1CCc2nc(NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)sc2C1 435101730 QPYHRKQWBOSRBY-GUYCJALGSA-N 437.525 2.390 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCOC)[C@@H]1CCOC1 460768822 GKUUCWQELFYGRV-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 460808735 JUUOKDUAALCLNH-YJBOKZPZSA-N 435.550 2.090 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCN(c3cccnn3)CC2)nnc1-c1ccco1 481272205 FLMVBWKVMRLDCF-UHFFFAOYSA-N 425.518 2.345 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508868607 WBTZBTZKOYJIEF-IBGZPJMESA-N 425.533 2.161 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508904366 TUCBHVXTIIGTMM-FPOVZHCZSA-N 433.516 2.296 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 521174503 TYISENLPBGOUNR-UHFFFAOYSA-N 432.468 2.333 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523652007 GSJVTSICMCZBOA-UHFFFAOYSA-N 441.509 2.117 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)CC1 541232072 MUMMHMSZRAEOKV-UHFFFAOYSA-N 427.451 2.256 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)nc1C 546190490 WAUTVSRBQYSUQL-AWEZNQCLSA-N 428.518 2.488 30 10 IEEE COc1cc(C(=O)CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OC 546902954 WGIIPQMNLLUMDZ-UHFFFAOYSA-N 438.484 2.291 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1 549403001 ZMKLJECWOPLXLB-MRXNPFEDSA-N 436.603 2.377 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 555114075 IXWXWNNJPSMBCQ-UHFFFAOYSA-N 435.528 2.057 30 10 IEEE C#CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 734104565 NUOVANCMTXUPDI-SFHVURJKSA-N 431.514 2.021 30 10 IEEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743111224 VPBVVURTXZVKKM-GREXYARLSA-N 449.577 2.364 30 10 IEEE CC(C)OC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CCCC2 743909209 UIKLMKJHGFRYJF-HNNXBMFYSA-N 444.557 2.329 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)cc1 744627190 UQVXZPXVVOWMEB-AZUAARDMSA-N 432.542 2.182 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 746189849 BIHPWCRNHOENJU-OZNQOIHVSA-N 434.290 2.266 30 10 IEEE CN(C)C(=O)C[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccc(Cl)cc21 746296559 GSDLJZJLQVZIDX-YTFCJFBXSA-N 430.892 2.165 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 758062402 RVDKRELNQQVISH-UHFFFAOYSA-N 444.459 2.025 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CC3)c2=O)s1 772912300 WCSAGVJFGWUADM-UHFFFAOYSA-N 428.583 2.025 30 10 IEEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(C)(=O)=O 780181212 XFAMPZWFJZFHCP-RBZFPXEDSA-N 438.502 2.222 30 10 IEEE C#CCOc1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1 784617997 UJIXFDREAPTMQA-IBGZPJMESA-N 442.493 2.229 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cccc3c2OCCCO3)n1 789966057 CQPREYJTUJYFFK-MRXNPFEDSA-N 440.529 2.468 30 10 IEEE Cc1nnc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)s1 790756183 DMRGKSCOEBMSHK-CYBMUJFWSA-N 438.604 2.108 30 10 IEEE C=CC[C@@]1(C(=O)OCc2nc(CS(C)(=O)=O)no2)CCCN1C(=O)OC(C)(C)C 791715653 HNFKXWMISWVUHC-SFHVURJKSA-N 429.495 2.003 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)OCC(=O)Nc3ccc(CC#N)cc3)CC(=O)N2C(C)(C)C)cn1 796421672 VBIORTUOQAHBAR-NQIIRXRSSA-N 437.500 2.356 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 797553983 DSLLOCFCUJRQCG-GOSISDBHSA-N 427.482 2.473 30 10 IEEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 798364068 IKLSUCAQQKNUSO-APWZRJJASA-N 444.557 2.073 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 812036782 FPPLBWTZIZRDGR-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@@H]1CCCO1 812263635 CHECLDNMIIPAOE-MSOLQXFVSA-N 431.562 2.044 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2occc2C)cn1 813562729 BVVACILHCRMKOF-QGZVFWFLSA-N 432.550 2.004 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(C)cc1F 813667343 UOIXNWDSZDNPAR-QGZVFWFLSA-N 431.489 2.319 30 10 IEEE CCOc1ccc(CCNC(=O)[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OCC 913484416 FTKSNEOWXJUNRW-OAHLLOKOSA-N 445.541 2.270 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 917767623 BEWBXKQHVLSDTP-IBGZPJMESA-N 445.544 2.005 30 10 IEEE CC(C)[C@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)N1CCOCC1 925054952 RTBHJPKZXTUPKA-HNNXBMFYSA-N 447.435 2.196 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1OC 1134282022 CNZUASXZRDCNDC-NRFANRHFSA-N 444.509 2.339 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 1136000921 HGDOIHDEHWOAPZ-LJQANCHMSA-N 425.533 2.285 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)s1 1147440053 FSGPUFJUDMHLOZ-INIZCTEOSA-N 434.587 2.055 30 10 IEEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 1256316682 BYTWFKWAPCCNOO-CIAFKFPVSA-N 429.586 2.119 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1286395690 SXLDGEGGSVMGLF-IBGZPJMESA-N 445.589 2.335 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286627302 YAMYINWTTNFPAK-HXUWFJFHSA-N 429.912 2.216 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1286722755 SAXVSKQZYQQXJA-UHFFFAOYSA-N 444.561 2.293 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 1290415334 CUGQMRHDBFVLPL-UHFFFAOYSA-N 446.309 2.005 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1291415717 OSGZTHTUTMDCAT-FXAWDEMLSA-N 447.547 2.389 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1297653314 HIECRQXDONZHNM-MRXNPFEDSA-N 429.546 2.423 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1300332961 RLDOIUOVJPZHFO-XDHUDOTRSA-N 445.527 2.342 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300492033 LBACSKZGCAJFAV-MBNRZODZSA-N 434.525 2.075 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(C(=O)OC)CC1 1300538662 UCUYYPHRPCRDPU-NRFANRHFSA-N 449.511 2.342 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1300658560 FRNDKSUVIPFSEG-GOSISDBHSA-N 449.515 2.104 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCNS(=O)(=O)CC 1300813139 BPSOTWBTWSOOQZ-JOCHJYFZSA-N 445.589 2.487 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1300837467 PCHMSRDHUPCZME-UHFFFAOYSA-N 449.353 2.228 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1300876436 STJLQJZCNPPXGL-RBUKOAKNSA-N 446.596 2.092 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1300900558 QDMVUGDEAIHXPW-INIZCTEOSA-N 433.578 2.412 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCS(C)(=O)=O)CC1 1301119339 FOEYNUPORUZSEI-UHFFFAOYSA-N 448.545 2.137 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1301350147 WTJKBDTUQDNZKE-IBGZPJMESA-N 445.589 2.145 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc3C2)nnc1[C@@]1(OCC)CCOC1 1301596494 QIAIJSCOJVCBPM-JOCHJYFZSA-N 446.573 2.094 30 10 IEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1301621404 XSDAZJUTHPDVSV-QGZVFWFLSA-N 433.553 2.436 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NC2CCCCC2)CCOC1 1301953945 VQGKTNXNNZRXNO-VGSWGCGISA-N 432.569 2.363 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1306497300 DEPTZDLQZUFYAK-LJQANCHMSA-N 437.548 2.180 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCOC3(CCN(C)CC3)C2)n(Cc2ccco2)c1C 1307870483 TYGWASUZESSKDB-UHFFFAOYSA-N 425.533 2.353 30 10 IEEE C=CCC1(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CCOCC1 1309661323 CZNBDVSTAYMLGT-UHFFFAOYSA-N 431.308 2.184 30 10 IEEE CCN(CC)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1313695082 LPNPTPFLADBNRN-XDOYNYLZSA-N 441.580 2.383 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)OC 1316298792 MPOANUUXOFYGCY-SEVLPDGMSA-N 441.532 2.487 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@](C)(O)C2CC2)c1 1358903303 RIYYEBMMFRFCKH-VWLOTQADSA-N 444.539 2.481 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1358949429 BQKPDKHLAHFKFL-JOCHJYFZSA-N 447.555 2.424 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(N(C)C)CCSC1 1359021067 ANVBMCCJPHLLOO-JOCHJYFZSA-N 443.573 2.197 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(N)=O)c2)CC1 1359032425 NUDAOKZCDNRSHV-UHFFFAOYSA-N 449.946 2.090 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccc(F)cc2)CC1 1359036976 PJISFIBUHHKLCZ-UHFFFAOYSA-N 447.562 2.290 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359086108 KSAKPKYHOJDVTB-CYBMUJFWSA-N 431.381 2.462 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@@H]1CC 1359127713 YCWOMOAPIDDYAF-HNNXBMFYSA-N 437.342 2.343 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@H]1CCOC1 1359232937 LECFIKNHZDBHHD-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359236026 WQFKEKQTXGTJFI-INIZCTEOSA-N 449.577 2.256 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1359310309 SHQLYIISDPTXTI-IBGZPJMESA-N 433.516 2.453 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1360817510 QEIYBLKCNPATGK-QZTJIDSGSA-N 429.546 2.255 30 10 IEEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cccc(C#N)c3Br)cn2)C[C@@H](C)O1 1435204669 HHDFAFMDDZTKML-BETUJISGSA-N 446.305 2.405 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1=O 1437802184 BCZZDSMSMJEUHE-IBGZPJMESA-N 441.528 2.260 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc3c(s2)CCCC3)s1 1446325879 BDUOLZCJADOQQG-UHFFFAOYSA-N 425.601 2.449 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 1454242724 SMXPUYHJEGHJEY-NRFANRHFSA-N 434.475 2.220 30 10 IEEE C#CCN(C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1456088044 SSTALZRZRKUFJI-NRFANRHFSA-N 438.549 2.321 30 10 IEEE Cc1nc(C#N)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1C 1459202651 YIPMBHFIZOUHLD-UHFFFAOYSA-N 427.530 2.136 30 10 IEEE C#Cc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 1463280923 KCEBTHHCFFFKOS-UHFFFAOYSA-N 439.493 2.389 30 10 IEEE C=CCC1(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 1465434940 KFZBIZAOABBYPO-UHFFFAOYSA-N 441.594 2.216 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)s1 1467674278 QRLSJTKBFFYULT-GOSISDBHSA-N 433.599 2.393 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)c1ccccc1C(F)(F)F 1472030586 BNAONYUFKKSWIB-YVEFUNNKSA-N 441.431 2.094 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3c(Br)cnn3C)ccc2c1=O 1472610050 RWXZDPXRXZWSBZ-UHFFFAOYSA-N 434.319 2.297 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)cc1 1474944440 IFLBFSDUPXOHRV-UHFFFAOYSA-N 426.585 2.281 30 10 IEEE CCNC(=O)C1(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1502410865 VTACSVVNXPDSFV-HSZRJFAPSA-N 444.580 2.365 30 10 IEEE N#CCC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)CC1 1505324986 PLDIMZURNANRCP-CQSZACIVSA-N 432.326 2.444 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCn2ccnc2C1 1507604048 WNKVFTYKLOSUBL-MRXNPFEDSA-N 436.516 2.499 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1507643484 WBFVPMAPNXKUNN-CVEARBPZSA-N 449.964 2.082 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCC 1507662732 VVPUFUXALUNHKO-UHFFFAOYSA-N 431.338 2.035 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507853572 GSPZGAQFJNFHNJ-CQSZACIVSA-N 438.941 2.081 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1508089027 ICFAGFZWMCVGLU-FHWLQOOXSA-N 446.596 2.343 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 1508104730 NIWADMZTIWFLFL-RTBURBONSA-N 446.573 2.409 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1509950856 FKQXWXLVJUMKSF-KRWDZBQOSA-N 432.532 2.192 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)cn1 1514701171 HCGIPHOMDOGREH-LJQANCHMSA-N 432.440 2.115 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1515399632 PMEATCJUIIYVJF-INIZCTEOSA-N 439.488 2.459 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2COC(C)(C)OC2)C1=O 1517404893 FMMLAPPWWSZLLK-QHCPKHFHSA-N 438.532 2.130 30 10 IEEE C#CC[C@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 1517930045 PFDCOKDDROQSQO-UZUQRXQVSA-N 438.532 2.178 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1c2ccccc2C[C@@H]1C 1519322780 BSWRMNSUNBPIBM-NLWGTHIKSA-N 440.548 2.182 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1519383993 RSPYFJBALSVGIW-RTWAWAEBSA-N 439.516 2.316 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1539221416 OJFKMJVUYUJGHH-ROUUACIJSA-N 438.594 2.209 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCC1 1539400859 MJJWDZFWVCHFQD-UHFFFAOYSA-N 435.370 2.228 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCN(C(C)=O)C1 1539417286 BQSOADFMGSCKTH-HXUWFJFHSA-N 439.560 2.222 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1539731274 ZKAGCDCASPKGKE-GDBMZVCRSA-N 447.552 2.353 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539821129 WBFRGQIQKCUOHF-OALUTQOASA-N 444.985 2.086 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1540160797 BDCHKEJVIFZOCL-MJGOQNOKSA-N 445.593 2.061 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1540200570 CYNJYAFIGKHVOV-MRXNPFEDSA-N 440.516 2.340 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1540853557 AJNBGFRQYWSXSJ-CABCVRRESA-N 429.550 2.335 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccccc1)C1CC1 1540861800 GYMGWVKRWWGGOJ-UHFFFAOYSA-N 431.500 2.397 30 10 IEEE CC(C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541690602 IIMRHLGMRVMVTA-UHFFFAOYSA-N 437.548 2.460 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1542643412 SIZCDMRCYZDZJN-QGZVFWFLSA-N 432.521 2.321 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)cn1 1547613050 HSZYKEOXGYEGLV-QGZVFWFLSA-N 439.545 2.104 30 10 IEEE CCCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NCCOC 1548372670 SLFUUWZDCHHQFJ-KRWDZBQOSA-N 426.439 2.157 30 10 IEEE CNC(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1554484769 CYGKHQKZVIHAQS-CVEARBPZSA-N 433.557 2.125 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C[C@H](C)O1 1555388762 KMZNIVGCWVHDOE-WBAXXEDZSA-N 433.459 2.481 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccc(F)c(C)c2)s1 1556110080 IOMXTVVEBITMSX-GOSISDBHSA-N 440.518 2.233 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)C[C@H](C)CC)nnc12 1558999902 VTBPTOHVIYRODC-HUUCEWRRSA-N 429.546 2.236 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1566409380 CCCNEJBZHOMOOY-DFGXFYAUSA-N 426.521 2.173 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C 1566409946 PODCFTWKIPJACZ-FXAWDEMLSA-N 448.527 2.433 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)CC2=O)cn1 1584151178 GSDNNEPZIGXWII-FQEVSTJZSA-N 444.495 2.382 30 10 IEEE CN(C)CC#CCNC(=O)c1c(I)ccc(Br)c1F 1587078786 IGBAYCZUIOFLMM-UHFFFAOYSA-N 439.066 2.488 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1587798728 SIXXWFRARRHWKV-ONTIZHBOSA-N 445.608 2.495 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnn(C)c1 1588133230 BDSHZLJOCXJDTK-UHFFFAOYSA-N 437.548 2.247 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@H]1C 1593826225 IYVYTBLZOUADQZ-LLVKDONJSA-N 427.734 2.466 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)C 1595085432 VOEAEVQMYSHAKC-HSZRJFAPSA-N 438.532 2.083 30 10 IEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595366777 NTCVBKQSHADESP-KRWDZBQOSA-N 426.521 2.483 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)C1 1595673805 JQVWQQHQGDGFPM-RHSMWYFYSA-N 439.969 2.371 30 10 IEEE Cc1csc(C[C@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1596399429 BSVYWJGQHBOSBO-DOTOQJQBSA-N 432.571 2.471 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CC1 1596483589 CEILDWFQQVAJMA-UHFFFAOYSA-N 444.543 2.431 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1596792431 WJMPBZYTBLEOJT-XXBNENTESA-N 448.612 2.150 30 10 IEEE N#Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(I)c1 1598244038 YVXOCYDXTUGVKZ-UHFFFAOYSA-N 431.189 2.398 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCCO3)n1CCOCC(F)F)C2 1620349454 MKFAAQKDBXKJRZ-INIZCTEOSA-N 434.447 2.336 30 10 IEEE C[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(N)=O 1622189334 CYHWAPHGFSNWME-HWPZZCPQSA-N 440.294 2.396 30 10 IEEE N#Cc1cccc(CS(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 1622387163 AUKWNZABRZRKOG-OLZOCXBDSA-N 443.369 2.462 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cc4ccccc4nc3O)C2=O)cc1 1623705847 RBJPMTIPXVQQLQ-IBGZPJMESA-N 429.436 2.333 30 10 IEEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1625219877 GWMDKVIWLRQASI-OAHLLOKOSA-N 433.350 2.480 30 10 IEEE CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1627160608 OYXGZXOENWWYPZ-XJKSGUPXSA-N 428.352 2.087 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1629477179 DPBKEBPZHQNICJ-INIZCTEOSA-N 445.969 2.425 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 1630291371 NGIGNRGQVVZWIQ-PZJWPPBQSA-N 427.526 2.318 30 10 IEEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)O1 1634175328 YZGFCNZQRFLFHM-ACRUOGEOSA-N 439.516 2.063 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H](COC3CCC3)C(=O)OC)ccc2c1=O 1636220773 HCGFKYZWOHVYHH-KRWDZBQOSA-N 431.514 2.054 30 10 IEEE O=C(NCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccncc1 1636464141 UIKSJVCAOVKFNY-UWVGGRQHSA-N 431.283 2.441 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNc1nc(C)cs1 1638680871 AODHGEIPHOTPHT-HNNXBMFYSA-N 435.575 2.277 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)CC1 1639425960 TUVYHYMGNRRZTF-MRXNPFEDSA-N 428.533 2.401 30 10 IEEE Cc1c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c(=O)n(C2CCCCC2)n1C 1644282632 JMGTVOCJJFJBIY-UHFFFAOYSA-N 430.530 2.426 30 10 IEEE C#CCN(C(=O)NCCCCN1CCN(CC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1665930518 QNGISHZTYHNCAC-UHFFFAOYSA-N 449.640 2.448 30 10 IEEE Cn1ncc(Br)c1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1670864455 AKDZTBQLUVCPQR-UHFFFAOYSA-N 434.113 2.295 30 10 IEEE CCOC(=O)c1c(NC(=O)NCCN2CCc3ccccc32)c(C#N)cn1CCOC 1676108611 GAFHSWIZYMEFDD-UHFFFAOYSA-N 425.489 2.367 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 1680685833 OFAHVYLOEBETKL-UZLBHIALSA-N 429.583 2.314 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)CC1 1681106193 MUXCRCNEYKHRQG-UHFFFAOYSA-N 439.497 2.112 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@@H]1CCCc2ccccc21 1682130968 JDWUTSMFKUJQKV-HSZRJFAPSA-N 444.535 2.481 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1682436703 RAEKOTNJYYXGJG-SJORKVTESA-N 446.552 2.261 30 10 IEEE Cn1cc(CNC(=O)N2CCC[C@H](c3nnc(S)n3C)C2)c(-c2ccc(C#N)cc2)n1 1686077347 SKTYCILDWGCMME-INIZCTEOSA-N 436.545 2.465 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(Br)cs1 1690025065 CEMUPZJEZSCJAK-UHFFFAOYSA-N 432.347 2.346 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC[S@](=O)CC 1690035848 LUYORJWRBHAPBG-AREMUKBSSA-N 436.379 2.278 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSc2ccccc21 1690104036 KWUVJEBECGUZCP-IAGOWNOFSA-N 446.598 2.156 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1690469479 QKFBLBWFKJODLY-JXFKEZNVSA-N 428.537 2.015 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1690671597 ZRKVDLHCUNPXAF-SJLPKXTDSA-N 431.924 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690720363 GUHDESJUIPRMQY-AVRDEDQJSA-N 446.573 2.239 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1691484846 OYVIAPFHEWZIQC-FQEVSTJZSA-N 449.559 2.432 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694040377 DCCFSDUXMAAYEW-NVHPEQRVSA-N 438.536 2.045 30 10 IEEE COCCOCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)cc1 1698210449 WPAWOSTUXFDNGJ-UHFFFAOYSA-N 440.548 2.368 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2CC(=O)NCC(F)F)cc1 1698485219 AFUWZKRFVFYZMQ-DLBZAZTESA-N 430.459 2.061 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705562345 AIJWZNOLQFWQSM-GOSISDBHSA-N 440.525 2.422 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1c2ccccc2C[C@@H]1C 1705574339 BESYGECJYYKLNI-CPJSRVTESA-N 433.556 2.454 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705608711 BGBJSEDMCPVOCK-QGZVFWFLSA-N 438.557 2.234 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCSCc2ccc(C)cc2)CC1 1705632320 MEWDDGQTAOAAGH-UHFFFAOYSA-N 440.617 2.413 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705684948 IAWKJIRGJFZPJB-GUYCJALGSA-N 437.386 2.053 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1705861015 YUJXJOHRJJABBP-WMZHIEFXSA-N 436.516 2.099 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCNS(C)(=O)=O 1705861084 SUBHUZRIQCENIW-UHFFFAOYSA-N 430.578 2.480 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1705896157 CXHYPKDMHIVQGA-UHFFFAOYSA-N 435.532 2.373 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CC=CCC2)C1 1705916686 MQQJPGCUGHBEAC-NFBKMPQASA-N 431.581 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1F)C1CC1 1705934800 YAVBAKVOAHRISL-GOSISDBHSA-N 447.536 2.138 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@H](C)N(C)C 1706417858 AHLGQGWBLZRYSM-INIZCTEOSA-N 426.569 2.490 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706745643 FKXZSYNXPAEGHV-INIZCTEOSA-N 436.520 2.333 30 10 IEEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC1=O 1710258720 LFDAVOVVDZURTP-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE COC[C@@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712177057 AEZMMNBNKFKMGT-NRFANRHFSA-N 449.534 2.442 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCS1(=O)=O 1722341300 CPUILRHRRMKJBH-GOSISDBHSA-N 429.546 2.184 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1722354659 IQBSZQPRTDRPTN-GOSISDBHSA-N 443.552 2.320 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722361709 OLECNGFVPWOQPT-HKUYNNGSSA-N 433.578 2.351 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722363799 VPVAXGXDLVQPCG-HOTGVXAUSA-N 434.587 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@H](F)C1 1722375891 TYAXIQRUHGVISA-HKUYNNGSSA-N 443.548 2.406 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1722420739 INWRPBCUSLRREE-GOSISDBHSA-N 440.523 2.170 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(Cl)c2)CC1 1722430162 ZIWKLPKWYONUOS-UHFFFAOYSA-N 442.951 2.002 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1722435072 FQZZLAFGPLICEB-QHCPKHFHSA-N 445.571 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)OC)CC1 1722450811 RLQKQQUSVXFZBW-GOSISDBHSA-N 425.533 2.166 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@](C)(C(N)=O)C1 1722466059 YKAROSIREAHSKR-QFIPXVFZSA-N 427.574 2.488 30 10 IEEE C=CCC(C)(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1722593156 JGDXMXWYEOZWDV-HSZRJFAPSA-N 449.596 2.216 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1722685182 VTOWFDXAAIOJED-LJQANCHMSA-N 440.523 2.396 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722851812 UFFOPUWQBZJAJE-OAHLLOKOSA-N 449.481 2.416 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1nc(C(F)(F)F)cs1 1726403345 GUEPEORTNFBTIP-LLVKDONJSA-N 449.466 2.487 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1728097565 UJHVPGRJQPKVEI-YADARESESA-N 435.576 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1c(F)cccc1F)N(C)C 1740629436 NIVJQNKANAJBGC-LJQANCHMSA-N 440.498 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)CC1 1740702087 VRXTUOPWWGDALK-UHFFFAOYSA-N 434.544 2.455 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1740763625 NQLIFOKAYHIFDV-VKJFTORMSA-N 443.470 2.149 30 10 IEEE C=C(C)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740784889 BLJXAMHXPLEYPJ-IYBDPMFKSA-N 441.598 2.496 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1740864822 FFVRCKUTSQWESB-UHFFFAOYSA-N 430.597 2.305 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1740965440 PEQSFMUMSSUBDT-JPYJTQIMSA-N 443.523 2.365 30 10 IEEE CC(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1741112949 PRNQILFIPVOUSA-HKUYNNGSSA-N 426.521 2.290 30 10 IEEE CC(C)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741386145 ULWWYTDKFBETOK-YGCDDZCOSA-N 438.536 2.077 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)C1 1741983730 DWIGXSOPAREJIV-FQEVSTJZSA-N 432.431 2.185 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1744755756 DIHVUHPTMUYKJU-FQEVSTJZSA-N 449.559 2.323 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1748958641 DIOSGWGJISZZIU-UHFFFAOYSA-N 441.557 2.337 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCC(F)(F)C(F)F)CC1 1748991463 XTYKQLJXXBOCMI-HNNXBMFYSA-N 433.450 2.192 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCN2CC)CC1 1748999282 NWIPOJUPJKGONX-HXUWFJFHSA-N 438.576 2.105 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1749486437 BVHAGVFUCWSKPH-OAHLLOKOSA-N 427.571 2.059 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C(F)(F)C12CCC2 1749599657 IBRMTIOPKIEHCD-CABCVRRESA-N 430.521 2.254 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749751091 KWDOUYUNWXZUNX-LJQANCHMSA-N 441.605 2.002 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCOC2)C1 1750510891 YSHWQHBIHLWZCM-ZJPYXAASSA-N 446.552 2.204 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1760146459 NDTAWAOSXULBEH-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760165853 IEDVONUSDPHMPL-HNNXBMFYSA-N 433.459 2.111 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1760275192 RUHMQCKHMMAJJZ-OAHLLOKOSA-N 438.550 2.158 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCOC)CC1 1760314144 SZCIABNTXPAPQY-UYAOXDASSA-N 447.580 2.127 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCCC2)CC1 1760391512 GIGGRFCTQJGYDT-UHFFFAOYSA-N 428.562 2.472 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(C)C(C)=O)CC1 1760517353 KLKQLBFBPSTIIH-UHFFFAOYSA-N 436.516 2.441 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760524311 UWKPVQRSFHNFDA-LPHOPBHVSA-N 447.486 2.330 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2)C1 1760526455 OYMYANLTSIWLOU-FQEVSTJZSA-N 435.532 2.020 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCN(C(C)C)CC2)C1 1760541231 XRTTYHMXECUNAU-FQEVSTJZSA-N 426.565 2.357 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760562829 XEKCLMFOMIEPBL-HXUWFJFHSA-N 427.622 2.476 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1760744711 KYZNAGWLYNCIPA-IEBWSBKVSA-N 438.532 2.259 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1761142487 AETPEEQRGLPDFO-QGZVFWFLSA-N 432.475 2.449 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1761258072 GKODGSZULTUSED-IBGZPJMESA-N 432.532 2.459 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)cs1 1761687848 VVAISCRZRPCGTC-UHFFFAOYSA-N 442.570 2.317 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[C@@H]1COCCO1 1766433533 QFXKZUQAEALZBV-WOJBJXKFSA-N 427.505 2.070 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1766578346 DOFOMMBBYACNBA-UHFFFAOYSA-N 431.500 2.211 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1767223558 UGAYIQJNYMRUNZ-ZBBYCGENSA-N 430.553 2.398 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@]2(O)CCOC2)c1 1770732274 XAHGTSLEHAOLGD-HXUWFJFHSA-N 449.433 2.316 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)c1 1849384514 PCRMMPCPEOZVOQ-UHFFFAOYSA-N 429.480 2.495 30 10 IEEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(C3CC3)no2)cn1)[C@H]1CCN(C)C1=O 1850380600 WWAFNALNHNNAIW-KRWDZBQOSA-N 433.472 2.054 30 10 IEEE Cc1ccc(F)c(N2C[C@H](C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)CC2=O)c1 1850662418 IEBXNKHVSNHOFT-LJQANCHMSA-N 440.519 2.488 30 10 IEEE CCN(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)c1cccc(F)c1C#N 1851315980 WGUBGNACHTYACX-OAQYLSRUSA-N 429.517 2.392 30 10 IEEE O=C([C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851942624 IBJKRZLXJSIRDA-VIFPVBQESA-N 439.362 2.188 30 10 IEEE N#CC1CCN(CCNC(=O)c2cc3n(n2)CCN(Cc2ccccc2Cl)C3=O)CC1 1852794297 NAQHADAIDRHQKU-UHFFFAOYSA-N 440.935 2.158 30 10 IEEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870109514 XDPQWOIFBBEVEF-OAHLLOKOSA-N 448.414 2.027 30 10 IEEE CC(=O)Nc1cccc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c1 1870149001 GAOOMUKTKUIINJ-UHFFFAOYSA-N 444.499 2.101 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(O)c1 1874431749 WGFXQVITZNCTJQ-AUEPDCJTSA-N 442.476 2.372 30 10 IEEE Cn1ncc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c1I 2033081647 IBUJKSLJGCZLCD-UHFFFAOYSA-N 443.094 2.428 30 10 IEEE Cc1nc(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243389490 JKLVEGJWWAUJKG-LLVKDONJSA-N 425.360 2.394 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247963208 VEWYZYUCAYAXFT-XHSDSOJGSA-N 442.387 2.491 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255712647 PUDCPXBPHQLQQY-NEPJUHHUSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837856 WOTMQUAEBAYHRX-GZBFAFLISA-N 449.382 2.428 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255843638 JPVOGFHJCYDZBM-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CN(CCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)Cc1ccccc1 2255950019 FQFFVLHDGGIONN-UHFFFAOYSA-N 445.394 2.181 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256068081 WVSXTAQWDYVYPU-UHFFFAOYSA-N 434.346 2.057 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256605274 JRLCBIXRJCJDNG-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2257485521 IVXJIUPJFKFDMK-UHFFFAOYSA-N 431.342 2.382 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009978 PXYDKGCXKWDAAY-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)n1 2267180904 KUCCVFITYMASFS-JOCHJYFZSA-N 448.373 2.143 30 10 IEEE CCn1cc(C(=O)NCC2(N(C)C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267491123 YMUOIYLODAYQIF-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2267494543 FKXAWJWOIBXRDK-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267589673 DGVHAZKCABMINX-OAHLLOKOSA-N 446.357 2.151 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268714579 BDHAJVHLRRUGMR-DOTOQJQBSA-N 448.369 2.296 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2268718063 OFQHYGJZMSGZDQ-KRWDZBQOSA-N 448.369 2.077 30 10 IEEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271386537 KLVMSPDMBQZRLL-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE Cc1cc(CNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273791986 NJZZTQRFMQZJAL-QAPCUYQASA-N 448.369 2.185 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)n1 2315390012 JPKUDRJTLZRSOZ-IAGOWNOFSA-N 433.358 2.471 30 10 IEEE C[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC[C@@H]1NC(=O)C(F)(F)F 2322300292 RBJAITVUXJPGTR-RISCZKNCSA-N 431.239 2.413 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20806471 BPNZHUKCUHNRDT-UFFVCSGVSA-N 425.474 2.077 30 10 IEEE CCOC(=O)c1c(NC(=O)C[C@@H]2S/C(=N\c3ncccn3)NC2=O)sc2c1CCC2 72435111 VSLGPWQDEKFHRI-LBPRGKRZSA-N 445.526 2.451 30 10 IEEE CCOc1cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc(Br)c1OC 169897841 IWAGKNWBXHHKDM-OCKHKDLRSA-N 425.283 2.229 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c1 303542346 UQEDUDAMYMNDCQ-QGZVFWFLSA-N 447.507 2.271 30 10 IEEE C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 430887588 FLPNSXKZWDFJMK-VMXDCPSBSA-N 426.517 2.422 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cn1 461306971 JLLWPNIIHWWZDQ-KRWDZBQOSA-N 430.424 2.111 30 10 IEEE COc1ccc([C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c2nccn2C)cc1 465215405 LMYRHAIRYLAITP-OXJNMPFZSA-N 446.515 2.100 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(F)c1 481031590 CEOWMHMXQDGUQZ-UHFFFAOYSA-N 433.480 2.443 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC(C(=O)N3CCCC3)CC2)c(C#N)cn1CCOC 481363981 NESYPNPDOJVDQV-UHFFFAOYSA-N 445.520 2.049 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 504636928 QDLQKNWMGMZOLB-DOMZBBRYSA-N 436.925 2.237 30 10 IEEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508496891 HFSAROFYOOQQPF-UHFFFAOYSA-N 425.562 2.121 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(C)cc2)nc1C 526835927 ZQFPRZNIGWIMEP-GDLZYMKVSA-N 435.527 2.429 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 549639325 IEEUGTXXZJZUII-LJQANCHMSA-N 429.569 2.491 30 10 IEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 549641856 ZRBKGWIVEUCKOC-UHFFFAOYSA-N 426.521 2.390 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 565566165 KBVZIGVBODIOTG-UHFFFAOYSA-N 447.561 2.056 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccccc1C 590943185 XUKBFNDJUAZLAE-UHFFFAOYSA-N 448.504 2.145 30 10 IEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 603792043 ICHRLVJFORLLOU-UHFFFAOYSA-N 447.560 2.253 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(CCc3cccs3)c2=O)cc1[N+](=O)[O-] 730250847 CDKAYCKYYVVCMX-UHFFFAOYSA-N 438.490 2.157 30 10 IEEE C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 749212103 CTGXVOZMNLADPY-BHQWEUPHSA-N 433.538 2.081 30 10 IEEE C#CCN(CC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1)C1CCCC1 756911458 KAGOWLRZHXGTOS-UHFFFAOYSA-N 429.565 2.485 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 757574342 DXISOPFWXKNEOA-MOPGFXCFSA-N 426.517 2.414 30 10 IEEE C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(-n2cncn2)cc1 758319479 UUJQQTQGGGLWMA-LESCRADOSA-N 425.493 2.387 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)ccc1F 760934170 UVHOZCKUXDNKRQ-CQSZACIVSA-N 429.477 2.362 30 10 IEEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCOc2ccc(C#N)cc2)C1=O 769963965 VWZKXJJTJWFGPV-NRFANRHFSA-N 444.850 2.313 30 10 IEEE Cc1cccn2c(=O)c(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)cnc12 773256107 PATCXEKPHZZOCQ-MOHJPFBDSA-N 439.497 2.068 30 10 IEEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)[C@@H]1CCS(=O)(=O)C1 774177439 INSYOTOTLZWFPZ-HXUWFJFHSA-N 443.500 2.410 30 10 IEEE C#CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 774181392 VGRDRAKRNNGKED-QUCCMNQESA-N 433.574 2.054 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccc(Cl)cn2)C1=O 775658839 UHPCVFPQGWTMSH-HNNXBMFYSA-N 431.905 2.102 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1-c1ccc(F)cc1F 782605837 USKIWUPLWBPOOO-UHFFFAOYSA-N 426.354 2.354 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2cc3ccccc3s2)CC1 788573547 WZICFLKDXKHIJF-UHFFFAOYSA-N 426.523 2.383 30 10 IEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 800787229 UUGWVPCDIXXQIH-MAUKXSAKSA-N 429.956 2.168 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCO2)CCN1C1CC1 802683114 RUPSEUITDAWJFO-HOTGVXAUSA-N 446.353 2.391 30 10 IEEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CCCC1 810198661 CJYNFJWJFDCXDV-UHFFFAOYSA-N 434.562 2.183 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCC(O)(c3scnc3Br)CC2)cc1C#N 813700654 DQNQDRFZLLEUBC-UHFFFAOYSA-N 443.348 2.153 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)s2)c1=O 838182184 GDLJSOLKMFPOEI-UHFFFAOYSA-N 440.546 2.321 30 10 IEEE CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NC(=O)[C@H](C)Oc1ccccc1C#N 916187635 WMCAGJICEAXYMK-ZDUSSCGKSA-N 431.470 2.188 30 10 IEEE COc1cccc(-n2ccnc2SCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 916775621 YKMCMHYXENXEIE-UHFFFAOYSA-N 442.522 2.491 30 10 IEEE C=CCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 1083983509 TUCFOVFSSVDCFO-UHFFFAOYSA-N 440.489 2.483 30 10 IEEE C[C@@H](C(=O)Nc1ccc(C#N)cc1I)S(=O)(=O)C1CCOCC1 1133744698 VLNIDZYEZBZUKE-JTQLQIEISA-N 448.282 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3c(-c4cccnc4)ccnc23)[C@H](C#N)C1 1137215528 ZWECUUBQTMWCSH-MRXNPFEDSA-N 433.472 2.376 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)n1 1137499220 VKFSSMZEQWBFOH-UHFFFAOYSA-N 445.321 2.390 30 10 IEEE O=C(NCC#CCO)c1cccc(NC(=O)c2ccccc2I)c1 1139145471 FTIFIWXHYDVUBJ-UHFFFAOYSA-N 434.233 2.269 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1141436045 DQGKRXOACSCKHI-UHFFFAOYSA-N 428.367 2.251 30 10 IEEE CN1CCN(c2ccc(Br)cc2NC(=O)[C@H](O)c2ccc(C#N)cc2)CC1=O 1147040131 SYTBWGWZQCWSNJ-LJQANCHMSA-N 443.301 2.271 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(=O)OC)s3)CC2)c1 1160925438 TVVRJZQURPOBHP-UHFFFAOYSA-N 446.550 2.294 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 1167367396 JICPTEMWHHSXEG-JOCHJYFZSA-N 437.927 2.291 30 10 IEEE C[C@H](CC(=O)N1CCC[C@@]1(CO)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1181212320 JAFOBOCQBHOTOW-OPAMFIHVSA-N 427.526 2.014 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C 1190179339 NHKINFHYWYTTKR-MHZLTWQESA-N 427.548 2.399 30 10 IEEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)Nc1cc(C#N)ccc1F 1219049758 FORNTZVRVYAUQP-KRWDZBQOSA-N 428.464 2.407 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1)C1CCOCC1 1253348736 TUVRCYLGJPLQFQ-PGRDOPGGSA-N 427.545 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1C 1286278805 GLXGGPBGODUAOT-KRWDZBQOSA-N 438.557 2.405 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1286395616 SEEPCIHCWJAWHU-XLIONFOSSA-N 442.541 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)C(C)(C)C 1286465992 ATEDEJGSFDCDCJ-UHFFFAOYSA-N 432.590 2.477 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286507551 JZFVBJSMUKUUDO-JOCHJYFZSA-N 437.573 2.116 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@H]1OC 1286519458 XNYYNVLUQYYRKF-CSGUBPAMSA-N 432.565 2.362 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)CCOC 1286592431 DVPHPTNBXVAAIH-QGZVFWFLSA-N 439.557 2.262 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286698495 ZWWORHUDXTUGAC-INIZCTEOSA-N 445.593 2.296 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1)C1CC1 1286737231 LLAGNFFLEZHBTC-IBGZPJMESA-N 449.552 2.148 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CN3CC[C@H](c4ccccc4)NC3=O)C2=O)cc1 1296292151 CTRDLTSAEKRGDN-NHCUHLMSSA-N 431.496 2.326 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 1297257836 LGTSOGOZKQGIDX-HDICACEKSA-N 432.542 2.423 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@@H]1COCCO1 1300276662 OWOPKLRBEJYVDU-NVXWUHKLSA-N 430.505 2.234 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300664389 ABNYMGKOSNRQKC-JPYJTQIMSA-N 426.517 2.378 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(OC)nc2)CC1 1300709765 FDQYFJKMGFBPSY-UHFFFAOYSA-N 448.527 2.073 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1300709988 NOYUWFMPVMMFDA-WZONZLPQSA-N 427.524 2.303 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N2CCOCC2)CC1 1301127913 XTCMQVUCHGVFIU-UHFFFAOYSA-N 425.533 2.139 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1301229020 DTPSQJZLOAPCIM-AOMKIAJQSA-N 430.553 2.470 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1301374906 GSLGVTWERZOTOR-HXUWFJFHSA-N 434.587 2.395 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCOCC2)C1 1302978992 FZYXJACSTIMLGM-FQEVSTJZSA-N 432.887 2.289 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)o1 1302991348 GBNPNUVAZKNZEY-QWHCGFSZSA-N 443.451 2.472 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCCS(C)(=O)=O)cc1C 1304378324 BJWRSSDRPHYGRR-FQEVSTJZSA-N 448.524 2.024 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1305854003 AVAOVVWZVIOESI-UHFFFAOYSA-N 426.263 2.466 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 1310931378 HKSCGLBGTWEKDK-AWEZNQCLSA-N 428.411 2.361 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1314852817 PIZBNBFROZLSLG-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1316102089 AOCDBADACXRBOH-UHFFFAOYSA-N 438.536 2.311 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1ccccc1F 1316167851 IWBXVXUSBOPIBK-INIZCTEOSA-N 444.511 2.311 30 10 IEEE CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1316380074 CORUZSPITVETEM-FHLIZLRMSA-N 426.546 2.430 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCO[C@H]2CCOC2)cc1 1316531129 OBFGNFFJLGSGKE-IBGZPJMESA-N 446.502 2.399 30 10 IEEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 1317764480 TYKHNCKCRFSUDF-HNNXBMFYSA-N 426.267 2.491 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H](CC#N)c1ccccc1 1350964286 BVYNUPGZLKVCDL-IBGZPJMESA-N 442.541 2.267 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(Cl)c(C#N)c2)C1 1352800574 XRDPLAITIXLTPX-BFUOFWGJSA-N 439.921 2.432 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2nnc(CC)s2)c1 1358903284 QUTJXYLJEDEFAH-UHFFFAOYSA-N 439.545 2.333 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1358912241 MNUMGNFGUPDQCI-FQEVSTJZSA-N 428.581 2.068 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1358948643 HLOKMXIQQDUKGH-HXUWFJFHSA-N 425.533 2.095 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2F)CC1 1359038175 MPQMZHGBPDPKQY-UHFFFAOYSA-N 437.523 2.091 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359098409 AQMGHFOIEAPNKB-SQMWVJLWSA-N 444.624 2.201 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359134333 SJPCSMCOWSGKEP-SFHVURJKSA-N 432.569 2.226 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1359205949 PFPHMFBPQPZNMS-KRWDZBQOSA-N 430.578 2.147 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359298593 FOYBZSMCUJEWPK-KRWDZBQOSA-N 439.545 2.294 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)C1 1359312554 WWTJIJWGOOUIJE-IBGZPJMESA-N 444.580 2.134 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1360405771 BZOMCILGAYIWEU-UXHICEINSA-N 438.532 2.401 30 10 IEEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1n1cccn1 1436288428 IQGIIOHWUHTYPB-QRVBRYPASA-N 445.545 2.002 30 10 IEEE COc1ccc(C[C@H]2CCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1445459402 LTCLHMMHENLTBC-QGZVFWFLSA-N 427.526 2.358 30 10 IEEE C#CC1(O)CCN(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 1468528489 MZVHTHAOWAQWEX-GOSISDBHSA-N 425.451 2.248 30 10 IEEE C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NCC3(C#N)CCOCC3)cc2)C1=O 1470144206 LUMOBRMCYRVJHO-OAQYLSRUSA-N 425.489 2.031 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)C1=O 1471268653 JWYOVLFBQJDQKH-UHFFFAOYSA-N 446.463 2.097 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1475629799 YIRDVRAFHKPKOX-OALUTQOASA-N 438.546 2.462 30 10 IEEE C#CCN(C(=O)Nc1ccc(OCCOC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1477173841 QURPYIIOXHASQG-CQSZACIVSA-N 445.335 2.129 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1479060108 JRHCTFPWNWWAAP-CYBMUJFWSA-N 427.452 2.167 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCC(=O)N(C)C)n1 1492517665 AZBYZNXEQWYXCD-UHFFFAOYSA-N 444.543 2.325 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1503949086 DSOSVZQMIQHEKQ-BHIYHBOVSA-N 431.562 2.176 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1504886298 GLUONXXOLIPACN-ZWKOTPCHSA-N 438.532 2.343 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1505071957 HQSAZJXQUGFIPD-LOUJCGABSA-N 435.422 2.411 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507635341 RZYKYYTVLAKABI-KPLVRAHFSA-N 436.622 2.435 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507636008 XDJTZDVCLPZJKX-NRFANRHFSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C1CCCCC1 1507645028 UWJDGIVCRULPFO-UHFFFAOYSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N(C)C1CC1 1507662686 MTWZIDVUYVMGJN-SFHVURJKSA-N 439.585 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccs1 1507673653 YGWBEGXIPWGGBQ-UHFFFAOYSA-N 435.557 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccsc2)CC1 1507735457 AHZWRAULZCGTKQ-QFIPXVFZSA-N 443.573 2.006 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1507742992 UUVAXSJCUVOMFR-UHFFFAOYSA-N 446.486 2.487 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2ccc(Cl)nc2C1 1507752967 HIXLOXGTTMNYPB-UHFFFAOYSA-N 430.965 2.378 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1507795908 FVUOCAFURPNNIV-MPGHIAIKSA-N 437.495 2.256 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507836088 WTBKUEMWJWTXOE-UHFFFAOYSA-N 447.609 2.409 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 1507838905 KMIBPMLRAQUFTQ-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507847991 SMZQZCGGEILMQW-IBGZPJMESA-N 445.568 2.447 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1)C1CC1 1507987891 FOEASOWXGBZARO-UHFFFAOYSA-N 446.573 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1508145658 OMCAQARLGNYAJN-UHFFFAOYSA-N 437.610 2.059 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1508161483 MEHONRWHXAQDLJ-SFHVURJKSA-N 442.589 2.127 30 10 IEEE CC(C)Cc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509170193 BIMYELOJRRETFB-UGNPLGLKSA-N 442.564 2.256 30 10 IEEE COc1ccccc1Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCS(=O)(=O)C1 1518462356 GLONUELSJQNJDR-GOSISDBHSA-N 443.573 2.442 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC2(O)CCCC2)cc1 1521101597 DKQGEFJAGIJCTK-UHFFFAOYSA-N 438.532 2.126 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1538976546 MPEKAWQWGGGSSA-GOSISDBHSA-N 442.585 2.146 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1539211269 KJPOEKFZNHDXHP-ZBFHGGJFSA-N 448.570 2.052 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539325868 OZXRJENNSSVVKB-FQEVSTJZSA-N 426.609 2.272 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1539345618 WTNHEWKRERNAJR-JOCHJYFZSA-N 426.521 2.317 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1539427643 FSILOSLLKWAKLL-JKSUJKDBSA-N 426.487 2.465 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1539518309 XMHMXVCJMAHDKI-VQIMIIECSA-N 441.557 2.249 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 1539527149 VFSNYUYDTPOEFL-UHFFFAOYSA-N 431.537 2.468 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1539638159 XCVBXCJMTPEWBO-OPYAIIAOSA-N 425.533 2.170 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 1539782107 VPEQQMABHAGGBK-UHFFFAOYSA-N 436.274 2.478 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539801439 AMOFQFLHVUJDOE-RBUKOAKNSA-N 444.967 2.273 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C2(CC2)C1 1539826948 PWSRETWWRXNZAD-QGZVFWFLSA-N 448.545 2.008 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539924676 XBFMHXVWLBCNHA-GOSISDBHSA-N 437.548 2.339 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1540868900 VVMFVKZPSBCWNY-UHFFFAOYSA-N 431.544 2.273 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)C(=O)OCC 1544338078 ADXSZCPCNOCANU-CYBMUJFWSA-N 431.674 2.486 30 10 IEEE C[C@@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1545123711 TZQPTPZQUMQFFR-FOIQADDNSA-N 429.456 2.016 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)C1 1546131972 RMOUDQCGXUOZSE-HOTGVXAUSA-N 428.576 2.091 30 10 IEEE CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1547791569 ONXPYQJWQKXUDE-HNNXBMFYSA-N 428.493 2.352 30 10 IEEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)ccc1Cl 1554755920 TWXXAIDCCRAUSF-QWHCGFSZSA-N 440.957 2.337 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1555070426 AEWUKKAGIOWQQH-SFHVURJKSA-N 443.573 2.442 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1557240412 KDPVJTRUENEIOI-HXUWFJFHSA-N 428.496 2.292 30 10 IEEE CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc21 1558464693 LTDRLGMFPXQDQQ-LJQANCHMSA-N 439.541 2.382 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 1564313612 AQWACLMBOZKRCC-GOSISDBHSA-N 435.366 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)N2CC[C@](C)(C#N)C2)C(F)(F)F)CC1 1564644788 PIDHMPCELFOSLJ-RDTXWAMCSA-N 433.475 2.415 30 10 IEEE C#CCOc1cccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1565728211 GPKYDZLXNGMTEP-MNEFBYGVSA-N 448.541 2.307 30 10 IEEE C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1CC(C)(C)O 1567658578 JYFTWRIDIYQRRD-CQSZACIVSA-N 435.366 2.061 30 10 IEEE COc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c(N2CCN(C(C)=O)CC2)n1 1584018802 VZOOGOBLFNFIFV-WEVVVXLNSA-N 426.448 2.119 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1587677674 KJBVPZHAPAPYIA-MRXNPFEDSA-N 443.573 2.319 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2([S@](C)=O)CC2)c1 1587697006 HDJXQFAVRLBAQD-PMERELPUSA-N 425.558 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(C(N)=O)CCCC1 1588673685 XCWRJKYBYHROBM-UHFFFAOYSA-N 434.544 2.482 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2oc(CCC)nc2C)CC1 1588876659 DPTQNJSOJDDKOU-RXVVDRJESA-N 442.564 2.055 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1593763437 KLHCRGUAQNMNBT-UHFFFAOYSA-N 429.569 2.180 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1594013035 BEGQSOMNFMSXBI-FOIQADDNSA-N 437.566 2.162 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nnn(C)n2)CC1 1594202675 SMKKHPUNPKNHQF-UHFFFAOYSA-N 432.330 2.020 30 10 IEEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1594714044 RBHNAHUWYGQHCE-UHFFFAOYSA-N 439.564 2.180 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595411485 SPALIOFIAZUXCG-UHFFFAOYSA-N 425.505 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1595501030 JVQASLBDUAHTLU-FQEVSTJZSA-N 445.531 2.169 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595501600 YYDWDKHGFUWCIE-GOSISDBHSA-N 441.923 2.003 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(OC)C1 1595777868 SCTFJKALTJINDM-NRFANRHFSA-N 448.545 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1595804485 ABCFIPRSANYDLG-SFHVURJKSA-N 447.605 2.333 30 10 IEEE Cc1c(C(=O)N(CCC#N)CCN2CCOCC2)cc(CNC(=O)OC(C)(C)C)n1C 1598065466 IFAHYLBPHYDQSX-UHFFFAOYSA-N 433.553 2.046 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCOC 1613565858 ZIOQYEQEFLSCFP-UHFFFAOYSA-N 441.536 2.158 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1615992539 ZKAXLSDPLMTZIP-UHFFFAOYSA-N 435.532 2.357 30 10 IEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CC=CCC2)C1 1620171297 XTRMCXGRYDPMPI-HKUYNNGSSA-N 448.593 2.097 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccccc2F)CCO1 1620356480 ZOJGPEXQOJUIRT-NVXWUHKLSA-N 430.509 2.030 30 10 IEEE C=CCCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1622332653 QCXUMGAOIXYBRJ-STQMWFEESA-N 428.473 2.136 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)c1 1622466428 UADFGMDSAHCTMI-UHFFFAOYSA-N 431.562 2.487 30 10 IEEE C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1623809903 OFDPCPAZGZPMTD-KBXCAEBGSA-N 433.350 2.079 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(=O)OCC)C[C@@H]3CCCN3CC)cc2C1=O 1625501691 BATFJEBWKTUMDE-SFHVURJKSA-N 441.528 2.348 30 10 IEEE C=CCn1ncc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc21 1627040396 KJQPUPRJOFERFJ-UHFFFAOYSA-N 426.498 2.496 30 10 IEEE C#CCN(C(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1)[C@H]1CCS(=O)(=O)C1 1627465673 PZLAOPWTAPXEKM-INIZCTEOSA-N 443.481 2.315 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1cc[nH]n1 1627962541 BBICNSNMWWGICO-PMERELPUSA-N 434.518 2.379 30 10 IEEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)c(Cl)c1 1628397145 XIBYMFYBZUWBLT-HOTGVXAUSA-N 437.258 2.487 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCS(=O)(=O)CC1CC1 1629901566 WUIJVXWIRQHJIR-LJQANCHMSA-N 447.557 2.334 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3ccc(OC)cc3)C2)s1 1634585783 UISHPBCVPUILPB-GOSISDBHSA-N 436.555 2.364 30 10 IEEE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCOC(F)(F)C(F)(F)F 1637401231 KAAPMJNBGNPFSH-UHFFFAOYSA-N 444.300 2.272 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)Oc1ccc(F)cc1 1637712677 GJRAADMTYAMAQA-IAGOWNOFSA-N 437.468 2.449 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)O)cc1 1638247958 AYGSTCWZACHOQD-NQERJWCQSA-N 427.526 2.088 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)cc1 1639659493 HPKIGURXXKAIHP-UHFFFAOYSA-N 430.530 2.164 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)ccc1F 1641226848 KQCDMCYKTRYLMA-CYBMUJFWSA-N 429.514 2.275 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1641521849 UBLSENWPUMQUDQ-QGZVFWFLSA-N 438.509 2.038 30 10 IEEE Cn1ncc2c1CC(C)(C)CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2 1643999810 AEIPEJLBEBAGFI-LJQANCHMSA-N 426.590 2.275 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2Sc2ccc(C)c(C)c2)CC1 1644281883 OUUPBMPWRWUQPJ-UHFFFAOYSA-N 444.582 2.075 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648499664 GDIJGNPWMKPUER-LAPQFRIASA-N 432.571 2.086 30 10 IEEE COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 1648812854 NQMZWVHOOQUQFX-LJQANCHMSA-N 429.498 2.019 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NCC#C[C@H]1CCCCO1)C(=O)OC(C)(C)C 1653544844 SDZCGSOCPUMVBN-QGZVFWFLSA-N 439.553 2.437 30 10 IEEE C#C[C@@H](NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CCOCC1 1668728994 QMIGFXPYTGNXPB-HXUWFJFHSA-N 443.544 2.096 30 10 IEEE C=CCN1CCC(NC(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)CC1 1673735368 NCYWAFRSDBGORP-UHFFFAOYSA-N 447.584 2.123 30 10 IEEE C#C[C@@H](C)NC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1674009559 JWYJZVVZSQWVLQ-SJORKVTESA-N 430.553 2.378 30 10 IEEE C#C[C@@H](NC(=O)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(C)C)c1ccc(F)cc1 1674014964 NEPPCPJFVYEWJD-RBBKRZOGSA-N 441.503 2.388 30 10 IEEE N#Cc1cn(C2CN(C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)C2)c(=O)nc1O 1682442602 LHHKXRGXFBQAFQ-SFHVURJKSA-N 443.891 2.208 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2cc(C)nn2C)c1 1689870066 ANLWQSLQBYRDHQ-UHFFFAOYSA-N 428.500 2.420 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC1 1690062119 DAHXIGGUADDLNG-UHFFFAOYSA-N 433.354 2.360 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NCCC)CC1 1690117574 MRGHGCZNKBGNFY-UHFFFAOYSA-N 432.931 2.409 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CC2)CC1 1690136188 AOHSZVKULHLAHJ-MRXNPFEDSA-N 441.507 2.048 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690237756 AHVMGVLDLWZBOL-AVRDEDQJSA-N 443.523 2.434 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1690312934 HFPCXCYACIXUGW-DLBZAZTESA-N 428.624 2.351 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1690661787 HGQOUEHOMDXGJX-UHFFFAOYSA-N 432.326 2.468 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCS(C)(=O)=O)C1 1690691892 NCMWKQCNBSPQOF-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690724588 SAGLXGQUKVNOAJ-KRWDZBQOSA-N 439.626 2.210 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1 1690749061 PWURPSLGNZWCCI-UHFFFAOYSA-N 428.606 2.484 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1692659937 BAIWMFIRAURWAX-IAGOWNOFSA-N 441.561 2.080 30 10 IEEE Cc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CCOCC(F)F 1693514512 YBOIUIOWYRUDJK-UHFFFAOYSA-N 433.419 2.315 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccccc1OCCN(C)C 1693550511 BPRRUKIJEPAGFQ-UHFFFAOYSA-N 446.559 2.169 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1693893295 NZSDEXDOJOXAGZ-WMZHIEFXSA-N 438.532 2.117 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1698285274 TWNWDAPHHAKHHW-PMACEKPBSA-N 427.505 2.149 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705536623 JZDMQJGAFFGMKP-FQEVSTJZSA-N 429.590 2.242 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705560989 PIVFGBLEZUYIHF-PMACEKPBSA-N 429.590 2.331 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705643568 KVSJAMCNNSEULF-QZTJIDSGSA-N 432.569 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1705652728 LERBCDZBRDWWAH-VAMGGRTRSA-N 427.549 2.077 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705739854 UAMYTROLKGHLRO-LJQANCHMSA-N 442.568 2.043 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1705842552 QARUZLXMJUALEA-MRXNPFEDSA-N 441.598 2.450 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1)C1CC1 1705853343 XDDDSUTYRIAWCJ-GOSISDBHSA-N 429.546 2.030 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1705868788 BIGNYIYUZKMASE-HSALFYBXSA-N 443.596 2.042 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1706236381 GACMKYXSBGJTLP-FQEVSTJZSA-N 438.532 2.282 30 10 IEEE CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1709826509 FZVTYRVMDSPHFU-UHFFFAOYSA-N 446.515 2.350 30 10 IEEE CCCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1 1709837318 BCTVUECOSFMZBP-NRFANRHFSA-N 427.484 2.115 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(SC)CCOCC1 1712530064 GJOUDSNXVBMDSU-MAUKXSAKSA-N 427.546 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)cc1 1722277081 KIAFDHNBIQISAD-RBUKOAKNSA-N 427.549 2.345 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722368686 UWDYULQAENJWAX-QUCCMNQESA-N 446.548 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCOC1 1722390040 AFRKMKCTCZOGMA-CYFREDJKSA-N 438.528 2.431 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1722438172 NQCXQYYQUOJTFZ-GOSISDBHSA-N 435.507 2.487 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1722439663 KNIIUXILIOBTBR-PZJWPPBQSA-N 435.576 2.333 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC(C)C)CC1 1722453398 SCDVAVWROIKUMO-PMACEKPBSA-N 431.581 2.404 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722625715 VZTMVMVAOJOVIB-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1722672499 SBKZSGZRQIISBB-OAQYLSRUSA-N 441.601 2.417 30 10 IEEE C=CCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1722690430 GERBYCRDVCPCJE-JOCHJYFZSA-N 429.496 2.104 30 10 IEEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1722852562 GPVGWGFFHLVBKG-UHFFFAOYSA-N 432.532 2.008 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(F)(F)F)CC1 1729741350 IIUIBDHOOFQGTG-UHFFFAOYSA-N 440.451 2.065 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740565537 WFFNPEKCJYQIEJ-LJQANCHMSA-N 436.564 2.213 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740623047 NGZWWWPDYIOHMX-UTKZUKDTSA-N 432.546 2.063 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1740661900 MAFHBADLGKMNMB-GOSISDBHSA-N 444.605 2.386 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(N)=O)CC1 1740764337 DMHFKCRNUUXRBR-QIJZPMMNSA-N 447.580 2.075 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)NC(C)C)CC1 1740819935 KILJUWQUNSTZOG-UHFFFAOYSA-N 434.522 2.338 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCc2n[nH]c(C)n2)C1 1740985857 UYTQDEJGJYFNGM-MRXNPFEDSA-N 427.484 2.447 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1741005404 INWDHNKTEWMZBI-UHFFFAOYSA-N 433.500 2.213 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1741606770 CGLQKWJRJPIPGD-FQEVSTJZSA-N 434.541 2.131 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(F)cc1 1741662912 KXNUXNIWJHOACE-UHFFFAOYSA-N 435.463 2.139 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nnn(C)n2)c1 1742155110 GVHASCWUSKDWRX-OAQYLSRUSA-N 439.499 2.303 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1745008647 BNZHCDYRUOROEM-UDJKBAMHSA-N 441.561 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccccc1N1CCOCC1 1748642865 QWOZJIILKJRIOL-OALUTQOASA-N 427.549 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1748690312 QMONQUJLVPMCMZ-HRCADAONSA-N 440.552 2.093 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1748802394 PEJIJLOXOICWBW-IBGZPJMESA-N 430.574 2.397 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1748831117 HICCVRLQYJWNOI-CTNGQTDRSA-N 438.553 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)NCc2ccccc2)CC1 1749009776 LJKHHZGSFNBFIV-UHFFFAOYSA-N 448.571 2.218 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749122699 ZKHLHJWJWSVEME-CBQOVEMMSA-N 430.597 2.091 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C 1749137145 WKULTOAEEYDSFJ-FOIQADDNSA-N 447.971 2.405 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1C(C)(C)C 1749139948 KBJCPWQDPVUZOF-FHWLQOOXSA-N 431.581 2.384 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1749671529 DEUGOFNGVFHHCE-MRXNPFEDSA-N 434.338 2.483 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(Cl)nc1 1750028821 QKFUUMZHUAEFDR-CRAIPNDOSA-N 445.955 2.275 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1750140509 AKKUKTVQAIFKGB-ACRUOGEOSA-N 444.580 2.391 30 10 IEEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(F)c(F)c2)CC1 1750386462 HBAFPRIPMVQOGM-UHFFFAOYSA-N 430.459 2.498 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750472385 MLAOAHDLTVWCFF-AUSANRGPSA-N 442.564 2.398 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@H](C)S1 1752321363 NRQFNMHSIFWABG-HOTGVXAUSA-N 449.602 2.208 30 10 IEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1760140893 CQGUDDNYRSPERK-HSZRJFAPSA-N 447.587 2.175 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1760215068 NOVYEIUCPCKQBK-GOSISDBHSA-N 426.542 2.241 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(-c2ccccc2)no1 1760250920 ODZJBJMHQOBYKX-UHFFFAOYSA-N 434.500 2.190 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC[C@H](C)C2)CC1 1760260126 WFVAUZNUOFQEFV-FCHUYYIVSA-N 428.625 2.439 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760307371 QCYSASJISWHBMP-SUMWQHHRSA-N 426.315 2.112 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCC(N)=O)CC1 1760320465 XOKRIJJFYGVFRO-JXFKEZNVSA-N 429.521 2.298 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1760356272 JRKKPXDWNOQONO-IRXDYDNUSA-N 427.505 2.098 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1760373775 BSRLXKRFDVHHKH-CHWSQXEVSA-N 444.945 2.050 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760427781 IILCWMMFBZGZNF-RTBURBONSA-N 449.621 2.279 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CCOCC1 1760690046 JNOMJAVIUGDJRK-IAGOWNOFSA-N 427.509 2.417 30 10 IEEE CC(C)(Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1760808913 BOMWRLRNWWVUHX-HXUWFJFHSA-N 430.488 2.480 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763656045 NHINQHFSNYPIFV-IGGDJGDASA-N 428.537 2.325 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1766662241 BPYSPBWBILHPTG-GOSISDBHSA-N 430.578 2.029 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(CS(C)(=O)=O)CC1 1767090587 FRGZNSKENMRKAT-GOSISDBHSA-N 429.546 2.462 30 10 IEEE CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1767854600 LMDVKHUNXVWQII-FQEVSTJZSA-N 442.589 2.111 30 10 IEEE COCC1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1770842238 FYYHEOFHNRVTSP-KRWDZBQOSA-N 445.495 2.168 30 10 IEEE CCc1nc2ccccc2n1CC(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851259518 IHOGSLZWFYJMHV-UHFFFAOYSA-N 428.500 2.128 30 10 IEEE O=C1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccc(F)cc1 1851526573 PTOOKVBKSNIUQV-LBPRGKRZSA-N 435.399 2.045 30 10 IEEE CC(C)[C@@H](C(=O)Nc1ncc(C(F)(F)F)c(C#N)c1Cl)N1CCS(=O)(=O)CC1 1851702006 FJZLEYYNJBYTFQ-ZDUSSCGKSA-N 438.859 2.319 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4F)C3)CO2)nc1 1851782601 GMQDBOYAQMNXGU-HIFRSBDPSA-N 430.823 2.462 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)COCc2ccccc2)C1=O 1857224243 AQZRGXMIIHTGOO-INIZCTEOSA-N 427.482 2.072 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857326992 NEKURJAYWJASQJ-IBGZPJMESA-N 435.521 2.133 30 10 IEEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873645169 QFKMKGGTHXFWQI-UHFFFAOYSA-N 449.471 2.446 30 10 IEEE COc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)cc1OC 1874344463 OBSFDBVCXZRGQB-YDZHTSKRSA-N 441.513 2.376 30 10 IEEE C#CCS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883391190 QLZQAGRTRAFZPZ-HXUWFJFHSA-N 427.478 2.416 30 10 IEEE CC(C)c1nc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c2n1CCCC2 1889303539 WROGIBGCWVZPCM-UHFFFAOYSA-N 441.620 2.215 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2nc3nccnc3cc2Br)C1 1891473898 BKJCTYJIIHMWKU-LLVKDONJSA-N 440.261 2.133 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229098369 BVLYPZOFPQYPOJ-HOTGVXAUSA-N 425.323 2.385 30 10 IEEE C=C(CS(=O)(=O)N[C@H](COCc1ccccc1)CC(=O)O)B1OC(C)(C)C(C)(C)O1 2248582785 SYMNJOUOYCAIMB-KRWDZBQOSA-N 439.339 2.154 30 10 IEEE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255739731 OUCWSMFJSRRXSN-INIZCTEOSA-N 448.398 2.350 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256625514 XXUDSMQZTRJWSF-QGZVFWFLSA-N 434.342 2.427 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256626942 PSJMPFCHMBWGNX-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2256887083 PBSMOUMLISIPSV-CVEARBPZSA-N 437.321 2.302 30 10 IEEE CC1(C)OB(c2ccc(F)cc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2266981378 CNWLMNDZYBEMHH-QWHCGFSZSA-N 442.218 2.113 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CCC2 2267138054 UWJFMPDZFZIXQT-HNNXBMFYSA-N 446.357 2.371 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267151082 GPXUEUXNHYMNKJ-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2267482336 BRUWUHONXGOGDY-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873559 QIVJWDSFIWYDME-QFIPXVFZSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)nn1 2268640413 GVXQHLYOICUILV-OAHLLOKOSA-N 447.345 2.253 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCO1 2268698464 AVJYCJVWPFQZKP-RDJZCZTQSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268718215 PLHBFEQMKRWMIH-CVEARBPZSA-N 447.341 2.080 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319742299 VSHKHHGHDCAHGP-LHSJRXKWSA-N 439.362 2.230 30 10 IEEE C[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC[C@@H]1NC(=O)C(F)(F)F 2322300289 RBJAITVUXJPGTR-FZMZJTMJSA-N 431.239 2.413 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337201542 WHVLCLLLZKPDDP-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE COc1[nH]c(=NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339786799 RLEFCEFKMMYXHA-ZMSDIMECSA-N 445.369 2.479 30 10 IEEE COc1cc(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)ccc1OC(=O)c1ccccc1 33430514 SOZDYVYYARDEMD-SJJOQSKNSA-N 427.438 2.311 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccccn3)n2)cc(OC)c1 59038561 SDIAQNYEFLVBPP-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)cc1OC 103111065 SPZRAXXXIHUDLE-LCPUNJGISA-N 442.468 2.051 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CCC1 430988988 NQPCJWIRLMUZAB-UHFFFAOYSA-N 434.521 2.071 30 10 IEEE Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 463797784 RAGGPKCDKUZARJ-KRWDZBQOSA-N 445.972 2.078 30 10 IEEE C=C(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 464566512 FIDNOVDEHSATOK-QGZVFWFLSA-N 437.562 2.085 30 10 IEEE CCOC(=O)c1cnc(N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)s1 464765524 NEYKHJLYKMVKRS-UHFFFAOYSA-N 427.530 2.389 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 482433089 FEHSBBNYRPRLMS-SXGZJXTBSA-N 431.489 2.353 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 488153680 CRPDIPNCLUVXBS-GOSISDBHSA-N 447.513 2.152 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 502810651 AKSXRXOPDZJDJQ-HSZRJFAPSA-N 445.516 2.250 30 10 IEEE CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 506783630 YCPYAPJSDJQDKJ-QVKFZJNVSA-N 435.525 2.073 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)NC(C)(C)CC 506912731 WIAOXNWCTZLVEJ-MRXNPFEDSA-N 434.518 2.055 30 10 IEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 508732118 GBYCOZQVHYQGJC-QGZVFWFLSA-N 425.541 2.154 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 508843865 FYASWCMBPVBQEF-LJQANCHMSA-N 431.562 2.391 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](Cn2cccn2)C1 508929925 JRAQGSHKGXAQTD-HNNXBMFYSA-N 432.326 2.334 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 512545710 QLOWKRPOMGQLKD-UHFFFAOYSA-N 430.424 2.441 30 10 IEEE N#Cc1ccc(OCc2ccc(C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)o2)cc1 513551357 BYJPHLLVDIPTKW-UHFFFAOYSA-N 429.498 2.417 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)c1 514125047 PZSABEKOFPYIPN-UHFFFAOYSA-N 434.521 2.147 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cnc21 515655328 UKTOIGAYEHXAIY-UHFFFAOYSA-N 428.452 2.414 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 521495028 GUICNUULVLNTSX-NRFANRHFSA-N 435.528 2.375 30 10 IEEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C[C@H](C)O1 522523599 BSGOIDDAAKRAOA-OALUTQOASA-N 447.539 2.459 30 10 IEEE COCCN(Cc1ccc(OC)c(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 532745054 BNKUODGPEBHRMO-UHFFFAOYSA-N 435.484 2.113 30 10 IEEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)CCS(=O)(=O)c1cccc(C#N)c1 533606133 CAFOXNJUYXOAFC-UHFFFAOYSA-N 436.555 2.136 30 10 IEEE C[C@]1(C(N)=O)CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 544531748 VTMPCZDIUZGVQP-QMHKHESXSA-N 427.549 2.086 30 10 IEEE C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 547756163 JTWCXUORUBMMIY-UHFFFAOYSA-N 438.322 2.331 30 10 IEEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 564662821 WFVFWRKUZHCGRA-UHFFFAOYSA-N 439.520 2.788 30 10 IEEE COc1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C#N 574564991 LWTSAUMTQKTJEB-UHFFFAOYSA-N 428.514 2.351 30 10 IEEE N=C1S[C@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1N=Cc1ccc2c(c1)OCO2 725274258 JTJUNBIZALRNES-INIZCTEOSA-N 440.437 2.355 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 730572661 NTINEQBJUKZBCL-CQSZACIVSA-N 430.960 2.275 30 10 IEEE Cc1cc(N2C[C@@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)ccc1Br 732650711 CKAZPKGVNVCZRP-WMLDXEAASA-N 431.334 2.309 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744029751 UZIRNCOHLNMNDO-XLSIIYIISA-N 437.496 2.011 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3ccccc3C)c2=O)c[nH]1 753360753 WPWVARUAEQKGJY-UHFFFAOYSA-N 449.532 2.440 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 757801368 SDTMAKDEZRCBSU-MRXNPFEDSA-N 435.475 2.494 30 10 IEEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 762547893 MZIDCTZEVIBELI-LJQANCHMSA-N 440.569 2.238 30 10 IEEE C[C@@H](OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)NC1(C#N)CCCCC1 780255559 QNHWQXMASSBBRZ-UZUQRXQVSA-N 443.500 2.346 30 10 IEEE CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 781019732 IPFNYWRHTMOMJJ-CJNGLKHVSA-N 431.493 2.339 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 790528834 ZDKLBQGNRRSUFO-CJFMBICVSA-N 447.491 2.492 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 795043097 OHQJXQJXMFOPKU-VDGAXYAQSA-N 428.533 2.414 30 10 IEEE C[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)n1cnc(C#N)n1 798350002 CZCYZEJCDNKSGU-GYBQTFJISA-N 430.877 2.217 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 800778220 BITZVIATOADKKT-FQEVSTJZSA-N 440.548 2.192 30 10 IEEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802601208 MDHFNRWBPZFIOQ-UHFFFAOYSA-N 436.582 2.440 30 10 IEEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N\CCc2ccccn2)n1 807934796 ALQQEOPYPIQNQK-MAVBTGMRSA-N 449.540 2.282 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C[C@@H]1CCCCO1 811726636 CSDWCDDWSDEKLJ-INIZCTEOSA-N 444.438 2.396 30 10 IEEE COC(=O)[C@H]1C[C@@H](OC(=O)CCc2c(C)nc(O)c(C#N)c2C)CN1C(=O)OC(C)(C)C 813899740 XQOXQCYDZYTKBG-RHSMWYFYSA-N 447.488 2.303 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(C#N)CCCCC1 1147670162 SXFSLUUBIJOLFD-GOSISDBHSA-N 435.546 2.306 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 1167367397 JICPTEMWHHSXEG-QFIPXVFZSA-N 437.927 2.291 30 10 IEEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1198420910 BPCKFFQBLNZSGA-OXJNMPFZSA-N 449.393 2.225 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286328027 LYKHNKUCIQJVGD-KRWDZBQOSA-N 431.487 2.292 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286344135 DMVQFFICHCEKHN-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1286368133 WEXXNQRAVSOSHB-MRXNPFEDSA-N 432.546 2.245 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286394747 PFTUTTRBRWJFOF-KZNAEPCWSA-N 448.614 2.349 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1286437681 QNPNDCFRIRZRMM-QHCPKHFHSA-N 435.532 2.407 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1286518120 ZAQVXUYVTKUUDJ-IFXJQAMLSA-N 436.607 2.196 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1286782580 YZHNCJAQCFNRDI-GOSISDBHSA-N 433.285 2.452 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286788074 PIIKNAJPLJNWFA-VQTJNVASSA-N 425.533 2.270 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@H]1C 1291326878 BPBQKILCSCFHAZ-GJZGRUSLSA-N 434.591 2.086 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC 1293845842 MCEVMJPHLXKNQE-OALUTQOASA-N 426.517 2.248 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1CSC 1297760628 STMITBIVRQQGJW-SFHVURJKSA-N 448.618 2.478 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1300448803 HFOHCYKOCGCJRP-UHFFFAOYSA-N 445.570 2.372 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300487383 IRPOQPBUYQGTHF-HOCLYGCPSA-N 444.586 2.469 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cn2ccc(C)cc2n1 1300596325 PRWAFCYHOHCICI-UGKGYDQZSA-N 432.528 2.469 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CCCO 1300613882 SWONOGZHWIGCJS-IBGZPJMESA-N 425.533 2.023 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(C)COCCO1 1300653043 HSJIEWXQZCYCAZ-VGOFRKELSA-N 432.496 2.449 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCS(=O)(=O)CC2)CC1 1301107956 JFIOIUANMNZYNY-UHFFFAOYSA-N 444.561 2.153 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2cc(C)nc21 1301412664 HKVAGIGKDBGNBG-GOSISDBHSA-N 427.553 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301585986 OWAGCPNPLJLIFP-GOSISDBHSA-N 437.610 2.278 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301618364 QBCBEWMGMAUGKM-HXUWFJFHSA-N 445.637 2.360 30 10 IEEE CC(C)(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1302204166 XHBMDGCVQOOBBL-UHFFFAOYSA-N 434.504 2.359 30 10 IEEE COCCOCCCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302209665 ZLHBSMNKKZJRKE-UHFFFAOYSA-N 438.488 2.435 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1303184085 PEBDJCYZWACVKQ-UHFFFAOYSA-N 425.581 2.173 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1309981239 CTARWTKBLIPWMT-BBRMVZONSA-N 429.926 2.074 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2ccccc2CC(=O)OC)c(C#N)cn1CCOC 1310522873 DLKQELORKNMKQG-UHFFFAOYSA-N 442.472 2.220 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1314783317 YLZODUOTAXASCJ-MRXNPFEDSA-N 430.459 2.489 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1315534487 KALBERPREUQEPW-DHIUTWEWSA-N 438.532 2.474 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316039557 UTFFNHVELDIJKP-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCOCC(F)F)c1 1316529858 REHYHMQYOLEECR-OAQYLSRUSA-N 430.459 2.205 30 10 IEEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316540521 LIQRHFJKBHFDMY-QUCCMNQESA-N 440.523 2.223 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1358919782 KFSBCMWEMFLIIX-KRWDZBQOSA-N 429.496 2.266 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358961138 SFEZSNGRMSBVBL-GOSISDBHSA-N 439.541 2.265 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C 1359024488 OFPTWXJKNXGCSK-PMACEKPBSA-N 445.589 2.101 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1359048007 BHOAWJUAOZEECD-UHFFFAOYSA-N 449.540 2.027 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359099540 PSCPIDRXDTUPNG-YRXWBPOGSA-N 438.594 2.167 30 10 IEEE C=C(C)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359124707 ADMPQJAYKXJRPF-MIZPHKNDSA-N 433.597 2.442 30 10 IEEE C=CCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359220754 IPIIJPVXMNDODQ-BBWFWOEESA-N 445.568 2.229 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(=O)NC)CC2)cc1 1359307243 FERGAEPWUZQHNX-LJQANCHMSA-N 425.533 2.358 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C1 1359322721 AXWXWVTUNPFEDF-TZIWHRDSSA-N 441.576 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1359329036 WZTCEFNNBORIIO-IBGZPJMESA-N 434.562 2.416 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)c1 1361017871 DRSPCWZFQVXTHP-IBGZPJMESA-N 440.548 2.319 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1438910426 YRAFOLZFWSCXDX-IAQYHMDHSA-N 437.290 2.448 30 10 IEEE C=CC1(CC(=O)N2CCC(n3cc(C(=O)OC)nn3)CC2)CN(C(=O)OC(C)(C)C)C1 1447508285 DDDBBSFJMVBNLW-UHFFFAOYSA-N 433.509 2.041 30 10 IEEE CCCCCS(=O)(=O)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1452953887 MGPDTYIEMQIOKC-UHFFFAOYSA-N 429.546 2.202 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC(O)C1 1463798034 UHIYSNXVJNUYEK-FVRICEFQSA-N 428.533 2.061 30 10 IEEE Cc1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1N1CCN(C)CC1 1463914818 YKDQQSLGPMXVJU-UHFFFAOYSA-N 430.505 2.436 30 10 IEEE C#C[C@@H](CO)NC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1467285386 ZTELWCWUORWFJZ-AWEZNQCLSA-N 432.274 2.243 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1=O 1467935895 GJGRWXYSNOBZRI-SFHVURJKSA-N 426.517 2.427 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc(C#N)cc1 1470074506 FZCIYJGKVOYFOI-IBGZPJMESA-N 447.944 2.104 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(F)(F)F 1471157616 SQYSZVMFZKGIKG-AWEZNQCLSA-N 445.467 2.012 30 10 IEEE O=C(COc1cccc(N2CCCC2=O)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618113 LWRPYXLCGMXBRD-UHFFFAOYSA-N 437.452 2.096 30 10 IEEE C=CCC1(O)CCN(CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)CC1 1473809223 MRTKBLZKMFFIDH-UHFFFAOYSA-N 437.562 2.277 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OCc2ccccc2)CC1 1507574705 PCPLPFPRXJWJFU-SFHVURJKSA-N 445.589 2.487 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1507677760 IZTXHNMYECEPSC-UHFFFAOYSA-N 426.487 2.248 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1507787104 FETDIAFRDRDNJU-INIZCTEOSA-N 431.338 2.374 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1507804519 KFUIJSDDZREFII-ILXRZTDVSA-N 433.525 2.105 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1507809045 SEHYSNAVSAIULK-QRWLVFNGSA-N 431.924 2.428 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1507982674 ODWLBXMLOBOZDH-QGZVFWFLSA-N 439.651 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C)CC1 1508139275 FKIWSHHFNXURKA-UHFFFAOYSA-N 435.550 2.233 30 10 IEEE CN(C)S(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1517029473 QIXAAGZMWUJARP-FQEVSTJZSA-N 446.552 2.081 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1518207336 FLMOROCUMKQNLD-SFHLNBCPSA-N 425.533 2.352 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1519165107 MYGPCIFAVFCWSV-HSALFYBXSA-N 448.612 2.426 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1519185162 RKMMPJKUMQFZPL-PMACEKPBSA-N 428.558 2.449 30 10 IEEE O=C(NCCS(=O)(=O)CC(F)(F)F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1531316179 HTHQLJAWJQLDKT-UHFFFAOYSA-N 448.320 2.132 30 10 IEEE CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537076185 NHADHACJJVJRMG-OAQYLSRUSA-N 439.537 2.467 30 10 IEEE C#CCCCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1539086836 NQFQYDMRNHVNST-QHCPKHFHSA-N 431.581 2.475 30 10 IEEE C#CCCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539087717 YKKBDWRTTKSJOM-HSZRJFAPSA-N 439.564 2.239 30 10 IEEE CC(C)c1ncc(OCc2ccccc2)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1539125814 JPKLJIUYMAZKLU-HTAPYJJXSA-N 440.525 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1539305208 SYKDVDNPRXKIRG-HXUWFJFHSA-N 426.542 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539318275 OWXJXZOLVSGKTB-PMACEKPBSA-N 429.590 2.213 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539498077 SCUBWLMSAQCBTQ-SFHVURJKSA-N 434.587 2.334 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCOC2)C1 1539526756 UQIQJJGRDIHXDT-FQEVSTJZSA-N 431.587 2.253 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1539705491 WTAODHRCGXVBLL-QGZVFWFLSA-N 441.504 2.102 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1541992026 SVUHGRCWAYKNRV-NQIIRXRSSA-N 444.561 2.150 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](OCC(F)(F)F)C2)s1 1544811689 HCDUYMXKBYBDHG-LBPRGKRZSA-N 426.482 2.325 30 10 IEEE CO[C@@H](Cc1ccccc1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1554611124 BNCUDMSKNLNEFX-UXHICEINSA-N 443.573 2.178 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCc2ccco2)c1 1554783458 FETMJEHEYRKLHO-HNNXBMFYSA-N 438.488 2.468 30 10 IEEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1555546697 FPYPVDMRROCCQS-UHFFFAOYSA-N 443.529 2.416 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2CCCO)C1 1555985787 ADXFYIYWMLTUDB-NFBKMPQASA-N 426.540 2.352 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCc2cccnc21 1557234158 UEMNIFGBWWDUOM-WMZOPIPTSA-N 426.542 2.381 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1C 1557919235 XQMFLDXIQXADLB-JOCHJYFZSA-N 426.542 2.451 30 10 IEEE CC(C)C(=O)Nc1nc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cs1 1559032676 DYLYAQRMVCANQF-UHFFFAOYSA-N 430.486 2.184 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCc3ncn(C)n3)C[C@@H]1C)C2=O 1565539113 DJTPFHFSUHHWKX-WIUDPPPLSA-N 446.891 2.125 30 10 IEEE COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1OC 1583811566 HIRLTXCUXIRAIF-SFHVURJKSA-N 429.429 2.306 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1583961168 QRLLYZZURIEQHA-BRSBDYLESA-N 426.579 2.471 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3COCc4ccccc43)CC2)cc1 1584178421 FGZQRFUUMCORAV-NRFANRHFSA-N 425.510 2.347 30 10 IEEE N#CCOc1cccc(OC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1584858154 KIZRQZFGLCVXJM-GOSISDBHSA-N 431.426 2.256 30 10 IEEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2=O 1585090486 GBDDUOKRHZQYAT-BXKMTCNYSA-N 437.544 2.140 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1587793930 XTAJKHUDYFBUKL-ZJSXRUAMSA-N 445.608 2.423 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1588050631 UCDVTHIGXLBLFC-INIZCTEOSA-N 444.586 2.216 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCC(=O)N(C)C)CC1 1588790860 FQAOWMGEDJCHAR-UHFFFAOYSA-N 431.544 2.117 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCC(C)(C)C2)CC1 1588865209 QMBZWZHUESJYBP-UHFFFAOYSA-N 438.624 2.017 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1 1589675438 CQIUACYRGTUARL-UHFFFAOYSA-N 445.589 2.396 30 10 IEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1589715068 AZRVVZVXXGXPIN-AWEZNQCLSA-N 433.475 2.473 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595013812 KSSSSTBLNYWJRY-INIZCTEOSA-N 444.502 2.224 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1595476059 HOMCIMSIHZZSIW-UHFFFAOYSA-N 426.550 2.035 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C)C1 1595489765 IMBIEKVDOQSFBV-LLVKDONJSA-N 425.356 2.280 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1595561993 KGMHIIIPLINIID-UHFFFAOYSA-N 443.596 2.134 30 10 IEEE CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1607814440 USXRBSNKMZLLLO-MRXNPFEDSA-N 443.573 2.473 30 10 IEEE C[C@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1612991833 FQYUDYFASJHLPM-KGVIQGDOSA-N 427.528 2.205 30 10 IEEE CCN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1615649898 UORNJZXZSJGKCC-IRXDYDNUSA-N 434.541 2.158 30 10 IEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1615968604 LHTQZTVAZSLHMN-FUHWJXTLSA-N 427.484 2.111 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1616060821 WIGRDYVVNNONFT-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@]2(CCC)C(=O)OCC)s1 1618530553 OQUFGGQQUPKDPK-IBGZPJMESA-N 428.576 2.479 30 10 IEEE COc1cccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1619333341 BPEYKVBHWNYNEO-JBACZVJFSA-N 440.548 2.212 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1632821313 KAVOYVIPDSZRFM-IJLUTSLNSA-N 448.891 2.456 30 10 IEEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1643050206 DYQRMFMATPZWDF-GOEBONIOSA-N 432.278 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCC[C@@](C#N)(c4ccccn4)C3)OC2=O)C1 1647980492 AHAGRIXUDBYAFS-VGSWGCGISA-N 426.517 2.491 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)ccc1F 1648899708 RRVHEPKXDYCLQK-OTVXOJSOSA-N 441.525 2.323 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 1653782078 NJVRQQZWPBZKPY-STSQHVNTSA-N 442.564 2.275 30 10 IEEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3C[C@H]4C(=O)NC(=O)[C@H]4C3)c2C#N)C1 1654514713 UIGABRZVQGKNRU-WQVCFCJDSA-N 428.558 2.304 30 10 IEEE COC[C@H](C)Oc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1663785195 FCBDLLXOQYOFBG-SFHVURJKSA-N 429.542 2.478 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 1664414849 TYZIWINAUMEGAI-HXUWFJFHSA-N 437.993 2.304 30 10 IEEE C=C(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1682686081 WKJXDDUQNPVWLT-UHFFFAOYSA-N 425.551 2.466 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1689888658 OOYDHSFFMRXVCL-GOSISDBHSA-N 427.578 2.120 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689980109 LTENFNQNEWGWKJ-PMPSAXMXSA-N 428.649 2.267 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689984111 LLHAUIWGRNOQPG-FXAWDEMLSA-N 429.590 2.084 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1690313447 UNCXUTLLTAFINM-LJQANCHMSA-N 445.589 2.229 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690316462 GCWWYMMRXWFSLD-IBGZPJMESA-N 427.553 2.340 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690449762 QGEOUVLEFOCLPB-MRXNPFEDSA-N 430.557 2.347 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1690667872 LCOQDSVHQGEARB-QZTJIDSGSA-N 441.580 2.107 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690673475 WNUXPNKSUZPJCQ-HSZRJFAPSA-N 443.523 2.085 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)[C@H]1CC 1690749208 VPDDFPWPBNFSCE-QGZVFWFLSA-N 425.562 2.151 30 10 IEEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccco1 1696597557 HOXOZLXWKGEFID-IBGZPJMESA-N 433.516 2.414 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1705494828 GNHVUHNBXYXHPE-RYQLBKOJSA-N 433.553 2.469 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCn2ccnc2C)c1 1705507278 WTRCGZFLGRAUIW-HXUWFJFHSA-N 447.543 2.433 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1NC(=O)CC1(C)C 1705552603 LYCIBAITNVCBEZ-QGZVFWFLSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705571210 XTZJARYKHGKKSW-HOJAQTOUSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Sc1ccccc1 1705582486 BVXXICIAJQGPQP-ZWKOTPCHSA-N 428.583 2.434 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1ccnc1C 1705629026 VJXXDAAPIUEUGR-OAQYLSRUSA-N 436.516 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C)COC2)CC1 1705651222 OBEXSVRNIDXSNV-UHFFFAOYSA-N 437.544 2.168 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1705674439 JBPUPJVVBYHVOX-VGOFRKELSA-N 444.557 2.260 30 10 IEEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1705744648 KOWJZCNFACWNBR-RBUKOAKNSA-N 431.562 2.361 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccnc1 1705836789 GALOEIMRIKTLSG-UHFFFAOYSA-N 426.546 2.455 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1705894676 HDXTUVGPFKVZKT-UHFFFAOYSA-N 446.596 2.283 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1705919018 VRABJBOPJPVQJX-IEBWSBKVSA-N 448.518 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1Cc2ccccc2O[C@H](C)C1 1705932299 RJOVXVZBDRVJBV-MRXNPFEDSA-N 442.545 2.067 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705933239 YUEAUAGMNUKKKG-QZTJIDSGSA-N 434.562 2.094 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1c1cnn(C)c1 1722383482 KUFLBSGATVOAKL-HXUWFJFHSA-N 431.519 2.483 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1722405881 RILUZHOSTASROC-UHFFFAOYSA-N 425.537 2.339 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)C)CC1 1722432525 AMQHIASPQNZBEH-UHFFFAOYSA-N 443.621 2.348 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccnc2C)CC1 1722442088 XGBWTINPUHLUAI-UHFFFAOYSA-N 445.571 2.168 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722456932 JNZVKHVTBSNAFT-UHFFFAOYSA-N 438.601 2.056 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1722573467 ZCLKXIOCDYGYDP-IBGZPJMESA-N 431.629 2.092 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722624529 DYMCHFXCMLFSKW-FQEVSTJZSA-N 426.565 2.400 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C)C1 1722707211 JHQHLQBUZSTOSD-FUHWJXTLSA-N 432.546 2.018 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722743252 AFSVAXZNONTUDO-ULQDDVLXSA-N 439.582 2.198 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCCC2=O)CCOC1 1722865157 YZAFTZSWBWTZGU-AVRDEDQJSA-N 432.569 2.317 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CCOC 1740549693 GOAMKBVLJIDYHG-SFHVURJKSA-N 448.612 2.429 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740621706 OHASSKIDJGPTOS-MRXNPFEDSA-N 442.570 2.034 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1740664392 ORNXJFFNAHUQQL-KRWDZBQOSA-N 431.562 2.082 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1740675431 BVKQMSGFXYEHPZ-JKSBSHDWSA-N 433.553 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1740706261 REOKYNZSFPLFHU-UHFFFAOYSA-N 448.571 2.262 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1740734784 ODCCQBZZXWJUOL-OAQYLSRUSA-N 449.552 2.316 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)CC1 1740764763 YMEOERWGWLKZOA-RXVVDRJESA-N 430.574 2.450 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 1740880468 IEARCNMHDPOKDE-UHFFFAOYSA-N 427.553 2.105 30 10 IEEE C=CCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740949480 HYAIPIJMADLTLR-HSZRJFAPSA-N 443.523 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC1CC1 1748668853 QSMNYHLMMNXEGT-MRXNPFEDSA-N 444.580 2.377 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1748670601 ATAXSTYLSDAECL-IRXDYDNUSA-N 432.546 2.116 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1748689641 FXBSMPUOXXTIPD-ZACQAIPSSA-N 432.569 2.279 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748812324 SOQZMUOYJREWPT-HNNXBMFYSA-N 431.468 2.226 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1748906827 YUEBCHMPLNKZQR-FUHWJXTLSA-N 445.589 2.477 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)CN(C)C)CC1 1748993043 NZBIXAKTPZWYLT-UHFFFAOYSA-N 430.547 2.490 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749033193 AGSMCJVSAIDIQD-SFHVURJKSA-N 427.578 2.196 30 10 IEEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749342206 CTWQEHPNKUIIMT-UHFFFAOYSA-N 436.582 2.377 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1749416160 UXUYRFRVVONABR-MRXNPFEDSA-N 445.593 2.215 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](C)C1 1749449457 OZDNEAYNGMDFPW-MRXNPFEDSA-N 426.550 2.455 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)nc1 1749483152 WIGFLROMSDQSOV-UHFFFAOYSA-N 440.577 2.370 30 10 IEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1749683157 KRSUWPOJVBTTEJ-KRWDZBQOSA-N 433.578 2.485 30 10 IEEE CS(=O)(=O)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1750201980 NPKOFMRWOFECKK-GOSISDBHSA-N 427.452 2.024 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1750379823 XNUBQVZSUWKKSQ-DYESRHJHSA-N 449.481 2.062 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOC2=O)CC1 1750385680 WMINYDVREDXPCW-UHFFFAOYSA-N 425.449 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCC(=O)N1CCOCC1 1760122376 KODHXAUEOCBCGI-LJQANCHMSA-N 425.533 2.181 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760179522 IBMXAVGRQQPRCX-OALUTQOASA-N 427.549 2.434 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OC 1760232351 BTHZGIKBFRLEJF-UHFFFAOYSA-N 429.484 2.103 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760356485 OMJIWIJAIPFCQE-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1760359404 MPCFUPYPIPWYHH-UHFFFAOYSA-N 440.592 2.405 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760424081 VRGBCGXRZWJREI-KRWDZBQOSA-N 435.536 2.334 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1761036783 IOTRIJWKCMXVKT-UHFFFAOYSA-N 444.543 2.217 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1762012535 AXEXTQOBTRCWTQ-UYAOXDASSA-N 438.580 2.106 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCCOC(F)F)C2 1762477455 BSKUHQVHWVEACD-UHFFFAOYSA-N 444.446 2.278 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1763761935 AXAPQNDIACHZGA-SJORKVTESA-N 437.548 2.036 30 10 IEEE CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763962989 GXRUCOGRJCEJIP-RWNPKEDZSA-N 428.537 2.467 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1766427763 CSOXSOLSGFOYJT-AZUAARDMSA-N 440.548 2.389 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1769548365 HZEIMDTZSGQOML-JXFKEZNVSA-N 437.447 2.063 30 10 IEEE COC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCCCC1 1769783840 DRLRZKHRBFOEEG-AVRDEDQJSA-N 433.553 2.397 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1770128669 ONZRIZGPGOTJGS-HXUWFJFHSA-N 438.532 2.180 30 10 IEEE COC[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770738989 OODSFSMVVORKEY-MJGOQNOKSA-N 425.537 2.048 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)c2n[nH]c3c2COc2ccccc2-3)CC1 1852107432 NFRXWGXMSLIGEY-UHFFFAOYSA-N 430.468 2.215 30 10 IEEE N#Cc1ccc(C2CC2)nc1C(=O)OC[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852664161 ZYQIYGXBUZPJEE-HXUWFJFHSA-N 439.537 2.329 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2noc(C3CCOCC3)n2)cc1 1852761649 WWMSNMFYERFBON-FQEVSTJZSA-N 428.489 2.132 30 10 IEEE C[C@@H](C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)c(C#N)cc1C#N)[C@H]1CCOC1 1852908034 UIJJQFPWVOVRGX-SJORKVTESA-N 431.500 2.158 30 10 IEEE N#CC1CCN([C@@H]2CCCCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1855598470 YHGCICXJHHGBHW-MRXNPFEDSA-N 439.484 2.440 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2=O)CC1 1857356869 PTUYVIQTIGNMMJ-LPHOPBHVSA-N 428.920 2.446 30 10 IEEE CCN(CC)CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1889612848 ARYFKNNJPYKQOZ-UHFFFAOYSA-N 432.011 2.264 30 10 IEEE COc1ccc(CN2C(=O)CCC[C@H]2C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 1891395146 WLJXGZYAFPDZMV-FPOVZHCZSA-N 449.511 2.308 30 10 IEEE COc1cc(OC)c(CCC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c(OC)c1 1891502524 DWVOEEDBLCLCSG-HNNXBMFYSA-N 426.473 2.377 30 10 IEEE CCn1ncc(NC(=O)C#C[C@H](C)NC(=O)OC(C)(C)C)c1I 1902015337 YBLRJPDOWBWZGF-JTQLQIEISA-N 432.262 2.363 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(Oc1ccc(Br)cc1C#N)C(=O)O 1919720572 MZCMBQXRKWAOEK-DYVFJYSZSA-N 427.251 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2044524599 GESAUOVYQGRBBT-GOSISDBHSA-N 432.370 2.399 30 10 IEEE Cc1nc(S(=O)(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c(Br)n1C 2163720249 DQZRZKNXMWNYDT-GDNZZTSVSA-N 446.176 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#CCCO 2229107118 GDHJUDBLLAMHTN-INIZCTEOSA-N 425.323 2.387 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)C1 2255192445 KQTOCPJFLWZORV-SIRYZWHFSA-N 449.548 2.044 30 10 IEEE CN(C)CCCN(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255610830 PQCDGAWSSFCAQH-UHFFFAOYSA-N 426.370 2.313 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C 2255625436 RCQWYEFIIXHIMS-CQSZACIVSA-N 436.362 2.187 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C 2255833543 FCZRZZIDGCJFCQ-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255842702 WPAUVJQODIGGQO-KBPBESRZSA-N 449.382 2.285 30 10 IEEE CCCN(CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256062547 RICRLXWPDFRZJV-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258244066 ZMVCVQNFNILROD-LBPRGKRZSA-N 430.232 2.252 30 10 IEEE CCn1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267182304 DXBVNRIPWQKZTL-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE COC[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCN(C(=O)OC(C)(C)C)C1 2267566323 XXUGGULTGMANCP-QFIPXVFZSA-N 449.357 2.070 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268606756 MZYNAQPCKRKDJN-SFHVURJKSA-N 448.369 2.484 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2271953642 YJHCONRBDDUYOM-GOEBONIOSA-N 448.373 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300305734 VTYWZFDLECADTQ-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCOC2CN(C(=O)OC(C)(C)C)C2)[nH]1 2315492346 XTQNYRBRBUSPIR-UHFFFAOYSA-N 433.358 2.159 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)n1 2319268423 VHWQXAOVHUOWSW-OAHLLOKOSA-N 427.310 2.318 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1OC 2331273885 VRLNDMLJFJBCGU-UHFFFAOYSA-N 429.502 2.359 30 10 IEEE COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2oc(C)c(C(=O)OC)c2C#N)CC1=O 170521523 ZLMDSAFJLKRCSV-LBPRGKRZSA-N 425.397 2.025 30 10 IEEE COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 427201554 AYYIVMONGRUKDB-LJQANCHMSA-N 442.497 2.230 30 10 IEEE CCOC(=O)c1c(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc(OC)c(OC)c1OC 427255676 GCGANVGWWGERDU-UHFFFAOYSA-N 435.458 2.265 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1sc2c(c1C#N)CCCCC2 441220122 SERDJUHZSOTPKV-LTDCPUDJSA-N 445.541 2.252 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccc1F 466735221 AKGITLMDNDWRBZ-UHFFFAOYSA-N 435.428 2.469 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccc(Br)cn3)CC2)cc1 478031259 FZMWWAFBNNLIIH-UHFFFAOYSA-N 435.347 2.312 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)ccc1F 488761593 OSHMKLRDQPDWAA-GOSISDBHSA-N 443.548 2.315 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)ccc1F 488761708 NNQUSANMKYOOAB-UHFFFAOYSA-N 426.473 2.254 30 10 IEEE CN1C(=O)C[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1ccc(F)cc1 489184099 CBSAFUYLTDFSAO-JAXLGGSGSA-N 434.471 2.134 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 523178667 DWIYEIWWFZZVEG-CQSZACIVSA-N 432.492 2.485 30 10 IEEE Cc1ccncc1N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 536159959 GXJHTABCSOBMPE-JOCHJYFZSA-N 436.535 2.060 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(cc2C#N)CCCC3)CC1 553089833 WEQUPMCTDFWILK-UHFFFAOYSA-N 443.529 2.476 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1F 563462136 KGZBGMVJVWUBTI-OAHLLOKOSA-N 435.452 2.224 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCCO1 603798528 MRBRBHDHPZGFEC-INIZCTEOSA-N 445.972 2.162 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccccc1C#N 603999912 DPOIRVYWXKJWLF-UHFFFAOYSA-N 434.546 2.170 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 611195149 QCJMPLKCMUSYJE-UHFFFAOYSA-N 444.364 2.061 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 612193380 ITAOGNMBMQYKTR-HNNXBMFYSA-N 432.492 2.485 30 10 IEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619833210 NAQSAOSJMJFPRF-GCJKJVERSA-N 433.560 2.382 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccccc1OCc1cn2ccccc2n1 732152611 DZKGVQYRXOIHME-XTQSDGFTSA-N 431.452 2.170 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732664845 PSXJRUNRFFLNRP-QGZVFWFLSA-N 440.525 2.308 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1-c1ccc(F)cc1 733788983 VTRVMPDKQGNSFI-UHFFFAOYSA-N 427.258 2.222 30 10 IEEE CCOc1ccc(C2(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)CCOCC2)cc1 735851606 BBGKZNVILYTIKB-DQRAZIAOSA-N 427.501 2.166 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1 741711864 PAVKESMHUINISV-FXAWDEMLSA-N 431.583 2.473 30 10 IEEE C[C@@H](CC(=O)N(C)Cc1cnn(-c2ccccc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742498133 MDJOVPFQZJOYBC-INIZCTEOSA-N 437.525 2.348 30 10 IEEE N#Cc1c(CCCNC(=O)NCc2ccnc(-n3ccnc3)c2)nn(-c2ccccc2)c1N 749208157 RTWGILJQLVWCQA-UHFFFAOYSA-N 441.499 2.339 30 10 IEEE Cc1cc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)nc2c1c(=O)n(C)c(=O)n2C 750891912 WLCOFEJHFJLSBC-UHFFFAOYSA-N 431.370 2.168 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 758059223 JUVGWLMWVRAFEJ-UHFFFAOYSA-N 446.450 2.356 30 10 IEEE CNC(=O)c1cccc(OCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 758834978 DYUSUFIPUVOWFF-GFCCVEGCSA-N 427.482 2.417 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1-c1ccccc1C 761837394 XIVMKSWJPRSKFD-UHFFFAOYSA-N 448.573 2.347 30 10 IEEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(C)C)cc1 762529750 RWIAJXRUQPUZLD-IBGZPJMESA-N 430.574 2.497 30 10 IEEE CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)c2ccc(COc3ccccc3F)cc2)C1 762725269 NNRWNIVKADORBO-IBGZPJMESA-N 442.491 2.169 30 10 IEEE C#CCOc1ccccc1NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 775298176 KKPOHIDUPBBMJE-UHFFFAOYSA-N 446.453 2.472 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)c(C#N)cn1CCOC 775767582 RJMCSZAISOEBMW-CABCVRRESA-N 449.508 2.171 30 10 IEEE C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 781395483 YAMYOXDVYGVLOY-HUUCEWRRSA-N 441.509 2.046 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCC2CS(=O)(=O)C2)C1=O 786686919 JBZWTEQVCYXKLV-GOSISDBHSA-N 445.566 2.342 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 788908659 HLHUAIGMBWLKRQ-LJQANCHMSA-N 425.533 2.272 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(Cc2ccccc2)c1 789968525 PFBHEEXVDDAVMI-UHFFFAOYSA-N 436.545 2.409 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)nn2C)cc1 790012066 JYTLMCHRDYZNQC-LJQANCHMSA-N 442.589 2.237 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@H]2CCSC2)C1=O 794440485 DZBMXZXVDFMYPX-BBRMVZONSA-N 442.557 2.470 30 10 IEEE C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2c(F)cccc2CC)c1=O 794647513 RCSAOLZQRLNUPX-UHFFFAOYSA-N 445.519 2.411 30 10 IEEE Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](O)c1ccc(C#N)cc1 803551126 QYWQZQOYXFMURF-ZWKOTPCHSA-N 425.489 2.146 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2ccc(Br)cc2OC)cc1C#N 804084614 ZSXKRKIBOLPQKI-UHFFFAOYSA-N 432.274 2.271 30 10 IEEE CCN1CCN(C(=O)c2cc(Cl)ccc2OS(=O)(=O)c2cnc(C)c(C#N)c2)CC1 813660732 XYJLUNNRBYXXAZ-UHFFFAOYSA-N 448.932 2.461 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C)C1CC1 814702490 SMQVXBNEYCENTE-MOPGFXCFSA-N 432.590 2.419 30 10 IEEE CC(=NNc1nc(-c2cccnc2)no1)c1ccc(Br)c(S(N)(=O)=O)c1 814950620 OAKAWUMWONFJSJ-UHFFFAOYSA-N 437.279 2.378 30 10 IEEE COC(=O)c1ccccc1CC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 816842842 GEKQCTDVIGZVAD-DQRAZIAOSA-N 425.485 2.171 30 10 IEEE C[C@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 857995387 HRXWGCDGHSVFHX-IKYJFFNYSA-N 427.482 2.028 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCc4c(CC(N)=O)cccc4C3)CC2=O)cc1Cl 1132346964 VGZHMOPMRSGJHI-KRWDZBQOSA-N 436.899 2.177 30 10 IEEE O=C(CSc1n[nH]c(O)n1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157806920 GRJREUNNVSBZFL-WHFBIAKZSA-N 426.289 2.232 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1159751506 TXORXGQWUACTEV-ROUUACIJSA-N 438.532 2.474 30 10 IEEE C#CCN(C)CCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1160104279 RRCIMZZABCUKRD-KOSHJBKYSA-N 449.551 2.346 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1161393280 OGZHJXGUYFXLQN-ZDUSSCGKSA-N 439.463 2.262 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1185174788 MSGKXONGLVOEIL-UHFFFAOYSA-N 439.559 2.105 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)CC1 1286473087 HYGPNWVEJXDALC-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(O)(CC)CC)CC1 1286476079 NLEPJQUWWUVSMO-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286513374 UPFXALKFCACYKS-BRWVUGGUSA-N 440.635 2.186 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1286840550 HCIUCYVDCUJNKW-QHCPKHFHSA-N 438.532 2.069 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300495239 FXOHRNGBFXCRTK-FQEVSTJZSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1300578934 QMHVIXSZZYPMNV-JOCHJYFZSA-N 449.555 2.364 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([S@@](C)=O)CC2)CC1 1300708367 RDDZFAUNEPVZDY-WJOKGBTCSA-N 441.601 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cn(C)nc2-c2ccccc2)CC1 1300726488 MOOMLGGVQSXYDQ-UHFFFAOYSA-N 431.544 2.255 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1300823416 GWKGVYGOOOJCAT-WDEREUQCSA-N 440.264 2.481 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCCCO 1300834461 QQJCPEQWATYVOE-UHFFFAOYSA-N 447.341 2.428 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301152472 ZAFRLGPLGDCYSY-LZJOCLMNSA-N 438.594 2.167 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1301410564 HFQYADDLPMXXTL-KRWDZBQOSA-N 444.561 2.099 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 1301518056 GKMGPHZXWNLWAW-GOSISDBHSA-N 440.548 2.193 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)c3ccsc3)CC2)nnc1C(C)(C)C 1301519619 QOLZMKFMNSTGHZ-UHFFFAOYSA-N 430.578 2.292 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCO[C@@H]1C 1301773632 GHONFBPHXZDFLM-HXOBKFHXSA-N 436.516 2.338 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1302251276 VCMRYSSSDUHKOS-FLAQELHPSA-N 443.573 2.421 30 10 IEEE CC(C)OCCS(=O)(=O)N1CCN(c2ccc(C#N)c(Br)c2F)CC1 1306986959 UNROYYNNIJGVPP-UHFFFAOYSA-N 434.331 2.337 30 10 IEEE CCS(=O)(=O)NCCn1c(N(C)C[C@@H](C)C#N)nnc1C1(c2ccccc2)CCC1 1314564125 UWUKZQXCJDSMBQ-KRWDZBQOSA-N 430.578 2.283 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCS(C)(=O)=O)c1 1315559873 FGDNNQIQGHIQQD-NRFANRHFSA-N 447.561 2.145 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1CC1 1316203426 GTXHQPZFPPRJKX-QGZVFWFLSA-N 425.537 2.395 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1316274175 NWVDZHWQVLARSR-KNLNXMFASA-N 441.532 2.050 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc3c2NC(=O)CO3)c1 1355668968 LQNBWFBVPVBFHW-HAVVHWLPSA-N 428.470 2.083 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1358870136 GMBNPYJPCNCBOL-BZSNNMDCSA-N 439.564 2.271 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1358960879 NIZVAUBPGFGFFK-SFHVURJKSA-N 431.562 2.030 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(C)cc1 1358984736 FRHUQAAAHPNRBY-RBUKOAKNSA-N 443.573 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@H](O)C2)C1 1359312676 ZGNCWINUYIGQQU-OKZBNKHCSA-N 426.521 2.258 30 10 IEEE C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1360460769 HAYKKKOBXKUGCB-HNNXBMFYSA-N 444.517 2.068 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3cc(F)ccc3C2)n1Cc1ccc(C#N)o1 1360690084 NHMDSEAHKCVLJR-ZDUSSCGKSA-N 444.492 2.103 30 10 IEEE C#CCN(C(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)[C@H]1CCS(=O)(=O)C1 1435069914 UVKWTHYNJUMZIP-INIZCTEOSA-N 425.432 2.462 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)s1 1445567403 ADLMTAHZVNAIHZ-KRWDZBQOSA-N 448.566 2.255 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)CC1 1453841918 QTMACXSODJHMGK-UHFFFAOYSA-N 440.521 2.047 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1455195378 YCTIWFDVNIFGSS-KRWDZBQOSA-N 431.537 2.231 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc3ccccc3)C1)C2 1456731371 FFRSKVPEPPBSEA-MRXNPFEDSA-N 444.582 2.329 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1466816003 AMFNXLHTFULFAP-HNAYVOBHSA-N 440.338 2.361 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 1467468954 FZYRNVCFJGVDFB-IBGZPJMESA-N 438.505 2.342 30 10 IEEE C=CCn1c(SCC(=O)NCCN2CCC(O)CC2)nnc1-c1ccc(Cl)cc1 1468121987 DFJWGQSQZQLHQH-UHFFFAOYSA-N 435.981 2.450 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1469727822 CDHNOPZOSYCKAP-KLHDSHLOSA-N 437.541 2.300 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c1ccccc1)C1CCOCC1 1470312010 NJOWZXKJYRTICW-BRPHKXCKSA-N 436.599 2.243 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 1470568643 LNTIRFASPOARFE-IEBWSBKVSA-N 438.981 2.161 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(S(C)(=O)=O)c3)ccc2c1=O 1472562536 LGPFUVXZJZXLFV-UHFFFAOYSA-N 429.523 2.205 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)C1 1494353330 UDGYSNRVZLXCTD-SKOAFDGASA-N 428.537 2.181 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1501217631 AQIYTODMQWIGJV-JXFKEZNVSA-N 438.532 2.259 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCN2CC=CCC2)c1 1505317531 NRENHLQXYSDCDU-UHFFFAOYSA-N 427.503 2.466 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1507636792 DLKZGBXEQLGJPD-QGZVFWFLSA-N 428.514 2.236 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N(C)C 1507642333 SKDMDFUHUZXAJX-AVRDEDQJSA-N 427.574 2.367 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CC1 1507728719 UTTWJWSXWGEBSQ-UHFFFAOYSA-N 449.584 2.396 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nccs2)CC1 1507735011 HFQVPXIMGLSVKK-UHFFFAOYSA-N 436.541 2.424 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1507761459 MGUKUMNHABOEFA-GGAORHGYSA-N 429.565 2.357 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507802586 AXYFBKUUVWURIK-OXJNMPFZSA-N 427.509 2.452 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1507842091 CKYNCYKXTXNIDP-UHFFFAOYSA-N 442.593 2.358 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1508128130 YURWGHSCKYVIAX-HBMCJLEFSA-N 433.597 2.310 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC2CCCCC2)cs1 1511546965 RDZKXNNPNNBXGV-GOSISDBHSA-N 443.577 2.202 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCC1CCOCC1 1517328810 AQFSXGILUYQOFE-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Br)cccc1[N+](=O)[O-] 1517946621 SHYSYNBVKFBYSZ-NSHDSACASA-N 431.250 2.370 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCOC(F)F)c1 1539043613 RZAWVQLRONSUIS-MRXNPFEDSA-N 433.459 2.468 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1539362511 CEYLXOBDPCHFIV-QGZVFWFLSA-N 438.532 2.357 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540199102 WAWVVHXYNKTTSW-IRXDYDNUSA-N 447.502 2.074 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1540863429 WJGBPUKKDYRINM-IBGZPJMESA-N 431.629 2.089 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(COC)cc2)C1 1540892773 RFJDOOKKQUDLHB-WOJBJXKFSA-N 446.573 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540898368 ILSUZMHOEQOBPW-IRXDYDNUSA-N 441.598 2.317 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)CN(C3CC3)C2=O)CCOC1 1541714534 WRDWNWMJDLRBBX-KNXBSLHKSA-N 430.553 2.068 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1544791377 BPKOTDWGYAFCDH-MRXNPFEDSA-N 433.509 2.292 30 10 IEEE CCOCc1nnc(N(C)Cc2cc(C)ccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1548082691 JHHXMCKSARBFHJ-QZQOTICOSA-N 442.495 2.425 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1552744789 BCSJYTHMSNURCV-HXUWFJFHSA-N 446.515 2.134 30 10 IEEE CCN1CCN(C[C@@H](C)CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1564036982 FMJKIULXVJBYKC-FQEVSTJZSA-N 426.609 2.095 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(=O)Nc1ccc(I)cc1 1564745226 RFTCMYMPNAQEMN-FZMZJTMJSA-N 429.258 2.120 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)n1 1565304931 DVFLNXPCPAQPFP-IHPCNDPISA-N 445.564 2.462 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 1583266796 FKRFHBYEDDYCKC-KRWDZBQOSA-N 429.498 2.423 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 1584728514 AWDTWPXFGNPHLG-SFTDATJTSA-N 428.577 2.398 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1587831514 PCYGRPZBZMNTFK-SFHVURJKSA-N 449.519 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@@H]1NC(=O)NC1=O 1588185533 IFDNTSXTKNDMFR-FQEVSTJZSA-N 444.539 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2snnc2C)CC1 1588908449 QWDLJDBLESWRCP-UHFFFAOYSA-N 435.557 2.428 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1594003880 KOYMNAGZGMDMKP-HOCLYGCPSA-N 437.907 2.010 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 1595595118 SGOMREIENJKWAS-UHFFFAOYSA-N 444.605 2.412 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595648287 ATSXPYIMKCNLLI-HXUWFJFHSA-N 437.500 2.411 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccn2)CC1 1595838436 SKFKRSXFDJEQIK-UHFFFAOYSA-N 427.578 2.155 30 10 IEEE C=CCn1c(SCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)nnc1-c1ccc(Cl)cc1 1598211903 JESBXBGKOKYMIP-DOMZBBRYSA-N 440.978 2.426 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)COCCO1 1611802034 XMSLAZGCSZWDHS-QFBILLFUSA-N 437.422 2.390 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1612803657 LVDOPZPWBVHPCB-QYZOEREBSA-N 436.626 2.431 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1614079862 LNDDNUXCZMGUPC-GOSISDBHSA-N 426.521 2.259 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615888611 GATCSLBHAVFYGP-HSZRJFAPSA-N 441.555 2.423 30 10 IEEE CN(c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1617763978 NWYYGJUHCSOUSC-FMQUCBEESA-N 428.443 2.272 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1618788126 DXCWRPMNNXNKKS-IBGZPJMESA-N 447.547 2.078 30 10 IEEE CO[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1618966672 LTYKSCNKAHARGQ-OAGGEKHMSA-N 428.459 2.274 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1620044717 FQAAKHVRUQUXFV-QPHCHLROSA-N 443.573 2.360 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 1624137768 NMBCBDGYILSXJA-HNNXBMFYSA-N 426.267 2.248 30 10 IEEE Cc1cc(C#N)cc(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1626380043 XUYZYDYSUGMWFC-NJAFHUGGSA-N 433.530 2.475 30 10 IEEE C#CCN(C(=O)Nc1cc(S(C)(=O)=O)ccn1)C1CCN(C(=O)OC(C)(C)C)CC1 1626749670 HXKGTMNTLDZOPV-UHFFFAOYSA-N 436.534 2.352 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 1628324959 ZTAXNBXARFLRAW-PZJWPPBQSA-N 433.430 2.013 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](CO)(C(F)(F)F)C1 1634206593 RBJSETHKIQGIBT-KBXCAEBGSA-N 447.479 2.057 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)c2c[nH]nc2I)CC1 1634490162 XHLPHMRCUNPCLL-UHFFFAOYSA-N 437.241 2.401 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)c1 1635446726 OVEAHLPMQWQLIG-UHFFFAOYSA-N 434.464 2.472 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1636305973 JKPHALBFAIKRNH-UHFFFAOYSA-N 448.541 2.136 30 10 IEEE C#CCN(C(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1636636563 VTKURCYPDHZBHZ-MSOLQXFVSA-N 447.557 2.185 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1637033121 JAYUZERAKZYJHY-UHFFFAOYSA-N 444.481 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CNc2ccc(C#N)cn2)CC2(CCOCC2)C1 1637802093 FNYFCVOUKQQRTR-QGZVFWFLSA-N 429.521 2.288 30 10 IEEE Cc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nn1CC(F)(F)F 1639498587 DIHWYQQENBPULQ-UHFFFAOYSA-N 429.424 2.211 30 10 IEEE Cc1cnc2c(c1)N(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CCN2 1643035420 IJPJXJLDDDJCBK-UHFFFAOYSA-N 427.530 2.448 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C 1643535641 RXVYESQOSVBBGK-OAHLLOKOSA-N 426.510 2.027 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H]2COCCC2(OC)OC)cc1 1644360084 OSMDCJYBHWOHJH-HXUWFJFHSA-N 442.516 2.281 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CC1 1644431972 MEVLREYFYLKRSX-ZHHAYKHTSA-N 432.609 2.437 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 1654941404 ZOCJMJNTTRZDQN-RTWAWAEBSA-N 445.995 2.227 30 10 IEEE N#Cc1ccc(C2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)nc1 1655173272 YVZGRPYLYFBJMN-UHFFFAOYSA-N 434.500 2.390 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)NCC3(C#N)CCOCC3)C2)cn1 1676738280 RURNVQJPJYLNGR-SJORKVTESA-N 431.537 2.197 30 10 IEEE C#CCC1(NC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCOCC1 1679366253 ABHCLTARAUKMNJ-UHFFFAOYSA-N 439.603 2.337 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC[C@@H](O)COCc2ccccc2)[C@H](C#N)C1 1681433387 GSONRGZSRNSXSE-GUDVDZBRSA-N 432.521 2.012 30 10 IEEE CN1CCOC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1684582376 QYSMTEMZFORJOO-BBBLOLIVSA-N 425.320 2.129 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689992409 KRZKUTQTDKPJNE-AZUAARDMSA-N 446.548 2.061 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689994410 XTDMSLOWTUGWBQ-LJQANCHMSA-N 428.558 2.223 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCS(C)(=O)=O 1690006473 QHELSUKKGPXTSQ-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCSC1 1690098206 ZGRUJNWHOSZDJE-QGZVFWFLSA-N 438.561 2.150 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1690167472 JKJDORJJHOSACO-UHFFFAOYSA-N 427.530 2.399 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690476559 HJYXUJWQNHHXHB-HNNXBMFYSA-N 429.912 2.432 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690491792 JBNMGIWVXBKUGL-GOSISDBHSA-N 444.605 2.394 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCC)nc2)C1 1690697273 RUTJEBYGMIGVKE-MSOLQXFVSA-N 426.521 2.243 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN(C)CC(F)(F)F)CCOC1 1690995683 LWFPKYGYCVWTER-MAUKXSAKSA-N 432.491 2.409 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOC1=O 1691101733 NSIUOKXOCYMLIE-UHFFFAOYSA-N 438.536 2.011 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCCC1 1692911859 FIFWVRTXINIEKY-MRXNPFEDSA-N 444.609 2.238 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1COC 1694352380 AVMSUJCRYRBXMX-LJQANCHMSA-N 426.521 2.120 30 10 IEEE C#CCCCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705539552 VDSJSPVVQFTRTI-LPHOPBHVSA-N 429.487 2.416 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCC1 1705609435 DGVXDLLYJAJWDQ-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](COC)C1 1705730560 LJSJSBJAUHZMCP-QGZVFWFLSA-N 434.562 2.414 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Br)cn1 1705847655 AHBPMNFSFKMMQL-ZFWWWQNUSA-N 425.331 2.284 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](CO)O1 1705861036 ZGRHBZWDLDTEQR-VQTJNVASSA-N 431.500 2.339 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(C)C)C1 1705906892 RUPHTMNTTXFTRH-IBGZPJMESA-N 429.521 2.029 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706095078 WSEUYOQYRRMGBN-UHFFFAOYSA-N 446.515 2.037 30 10 IEEE Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)no1 1707291263 MRUNTWVDZCMULS-QFIPXVFZSA-N 435.488 2.140 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H](C)O1 1708176486 ZXDPMYDRSKOLCP-HOTGVXAUSA-N 429.546 2.255 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C[C@@H]1C 1710277926 KFSDZFNCQVJGAF-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(F)cccc2OC(F)F)cn1 1711251418 IDCAMIJGSQVGTD-CYBMUJFWSA-N 433.394 2.196 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722334251 VHJLCWNIJVCYAU-VQTJNVASSA-N 428.581 2.066 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(F)cn1 1722381935 BQMUZUUZVNQJOQ-UHFFFAOYSA-N 430.491 2.107 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N1CCOCC1 1722391415 MJBKLMAQMQHDKX-UHFFFAOYSA-N 431.540 2.070 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCC1(O)CCOCC1 1722428166 WIPUZWUUVZVAAD-UHFFFAOYSA-N 437.544 2.299 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1N1CCOCC1 1722514768 FLUFHBRRPLJCMH-UHFFFAOYSA-N 439.564 2.083 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1722559138 MCLAWXKMQNDONY-UHFFFAOYSA-N 441.532 2.099 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1724011070 NREZXROOOMJARI-PXNSSMCTSA-N 448.618 2.342 30 10 IEEE Cc1nccnc1CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1725770848 FGJGWUZHBSHMGC-MRXNPFEDSA-N 446.563 2.294 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@](C)(C#N)C2)C1 1729594755 BHRHPAPDFBBLRT-NHCUHLMSSA-N 425.493 2.050 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nnn(C)n2)cc1Br 1730045585 IASAQYXRXKKOTO-NSHDSACASA-N 446.313 2.026 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)CC1 1730418423 HJRXUTINSLMJNC-LJQANCHMSA-N 440.548 2.173 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740590919 JVWXZCRZSNXCPN-GOSISDBHSA-N 440.935 2.408 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740596877 GZHPMZJSGVAVJI-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1740701801 CVJOHIGXIJQDGT-INIZCTEOSA-N 440.514 2.252 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cncn2)C1 1740721088 WTYFPXGYIKYPAE-KRWDZBQOSA-N 428.591 2.433 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCN(C)S(=O)(=O)CC 1740730078 QXXBQXSMUJTLAW-OAQYLSRUSA-N 430.578 2.312 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740751996 RBNNKSSEEQTJFN-BBWFWOEESA-N 430.553 2.293 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 1740796833 FSIWHDLYAIFFIH-DFQSSKMNSA-N 445.589 2.465 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740889996 PXVFDQHDSLCTNG-IXDOHACOSA-N 448.568 2.063 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740900283 OQABBXAYNRHQFI-KRWDZBQOSA-N 431.541 2.473 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1cnn(C)c1 1740914109 LTHFZJOIEWQLCN-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC2(C)C)C1 1740972033 CAXJPPRCYIJKPX-BRWVUGGUSA-N 425.599 2.496 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1743857512 CZVLVFJMSKLOPZ-LPHOPBHVSA-N 430.578 2.170 30 10 IEEE CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1745908588 YXBPNMSJCHFUKZ-RTBURBONSA-N 428.562 2.477 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1748278969 ZXOHXNRAHVOLKK-OAQYLSRUSA-N 426.546 2.198 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CC2)CC1 1748734727 JDZRQFAGJIYJGK-UHFFFAOYSA-N 427.574 2.294 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1748814206 AZNNRSPHKUDDAR-UXHICEINSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1748816967 BOEGBGOKVWAQRK-JKSUJKDBSA-N 449.602 2.037 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCC2CC2)nc1 1748825018 NQNRPSJLNCLODQ-UHFFFAOYSA-N 441.495 2.230 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C(C)C)C(C)C)CC1 1748978252 JEAMSJXSNVESGB-DEOSSOPVSA-N 446.640 2.193 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1749055289 GVNWVDDUQVEENL-DHIUTWEWSA-N 431.581 2.473 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749232102 CNKKTEWRYDVFAE-RBUKOAKNSA-N 425.533 2.185 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1749246440 CDZACTAWHFMXHO-UHFFFAOYSA-N 436.973 2.007 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1749600403 XRSXJNKNZGMHGI-HXUWFJFHSA-N 442.564 2.091 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1749650820 HSUJUZVEKHMTGY-UHFFFAOYSA-N 428.512 2.195 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 1749650829 HVUMRCZPEMVVGL-UHFFFAOYSA-N 441.536 2.012 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749660461 PTNUSGDSLBQRQH-IBGZPJMESA-N 434.548 2.372 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(N)=O)CCOCC2)C1 1749702940 ANKHWRPBEUWBPI-KRWDZBQOSA-N 441.532 2.017 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCCC2=O)C1 1749717389 KLAQWQIHQHJALA-FQEVSTJZSA-N 441.580 2.324 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ncccc1C 1749967018 OKJPJMIPRYWNOL-MRXNPFEDSA-N 449.515 2.289 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1760104620 BNSPJGOBCFDFBB-JKSUJKDBSA-N 432.546 2.245 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCn2cncn2)c1 1760127837 NONZGNYVLIXGNZ-UHFFFAOYSA-N 432.532 2.359 30 10 IEEE C#CCN(c1nnc(CC)n1CC1(c2ccc(F)cc2F)CC1)[C@H]1CCS(=O)(=O)C1 1760188016 YWSCKHLIRZRYQF-INIZCTEOSA-N 434.512 2.477 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 1760224306 FNLBYVGBJHDAAV-UHFFFAOYSA-N 442.951 2.367 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1760348785 MECVDJYSTHHOGH-UHFFFAOYSA-N 443.552 2.356 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1760480701 CIVFQTQUCWXPNV-IBGZPJMESA-N 431.562 2.214 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@@](=O)C(C)(C)C)C1 1760545033 MGBGAZZWTIMIQY-PBNKOMEISA-N 449.577 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(O)cc2)CC1 1760549067 VQNNGQXLLRPLIV-QGZVFWFLSA-N 433.578 2.425 30 10 IEEE CC(C)(O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1760816941 BSKUFJOXTZAOOQ-LJQANCHMSA-N 438.532 2.310 30 10 IEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1761259481 XCPDELZNIYZVQE-LJQANCHMSA-N 426.521 2.259 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1764188332 TZEHCMFHZNVNPD-FQEVSTJZSA-N 438.532 2.046 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1766370255 DTMMRXUONSRCQY-HXUWFJFHSA-N 449.559 2.038 30 10 IEEE COC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1767968606 QMAPHYBQQWWCSW-NXHRZFHOSA-N 446.577 2.057 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1768540660 UHKNILDBMJKYHL-UFVMTTLYSA-N 449.540 2.285 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1770356238 MYMLECZCSWYOEG-GOSISDBHSA-N 440.529 2.343 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3[nH]nc(C#N)c3C2)c1C 1849241147 WFBONJKOLLKSRG-FQEVSTJZSA-N 441.557 2.253 30 10 IEEE O=C1C[C@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccc(F)cc1 1851526099 BTTGITQIVOXQAR-ZDUSSCGKSA-N 449.426 2.435 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1Cl 1855265035 JMEXXXDAPOYJMA-CQSZACIVSA-N 439.921 2.038 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OCC)c2)cc1 1859009928 BXTXIBFLFMUJQH-UHFFFAOYSA-N 430.482 2.106 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)ccc1O 1862737138 DOUMFZRAQLNGEL-GOSISDBHSA-N 428.397 2.270 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1c(F)cccc1Cl 1874432466 HLOYDYKYFWYUOU-GZIVZEMBSA-N 426.905 2.207 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CN(c3ccc(OCC)cc3)C(=O)O2)cs1 1891288146 AMDDBNSEDPAHFE-OAHLLOKOSA-N 430.486 2.213 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1963795278 MEVGHTHEFFIRFN-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(I)cn1 1985073930 ZSRCZZGFZOOPPK-SNVBAGLBSA-N 430.246 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2010515459 JPSOOAUYHFCJLV-PMACEKPBSA-N 428.533 2.295 30 10 IEEE Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2C)c1 2042452795 PIMFYKHZEJXIFE-UHFFFAOYSA-N 445.545 2.451 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060637215 INZFBCWGZVFRCA-OAGGEKHMSA-N 437.390 2.382 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060638229 UOPDUWCWQPTDQZ-UHFFFAOYSA-N 428.338 2.173 30 10 IEEE N#CCSC1=Nc2ccccc2C2=NC(=O)[C@H](CC(=O)NCc3ccc4c(c3)OCO4)N12 2087927693 RCWOJDIRCRQEAV-INIZCTEOSA-N 447.476 2.337 30 10 IEEE N#C[C@@H]1CCN(S(=O)(=O)NCc2scc(Br)c2Br)C1 2108279131 ZYPGLPSIKSOJAO-ZETCQYMHSA-N 429.159 2.453 30 10 IEEE CN(C[C@@H]1CCS(=O)(=O)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172784202 NPUSJMDLAWCQME-LBPRGKRZSA-N 445.188 2.014 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CS)C(=O)O 2229098740 SYKBGAOBLZZFPS-OLZOCXBDSA-N 447.351 2.384 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)C1 2247560235 QQRVUDPJJCBGLW-YZEMWESSSA-N 437.537 2.044 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2255879743 UHYMGHIQJIOGME-UHFFFAOYSA-N 429.326 2.216 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2255995588 XHOTVNFSJDLEKA-AWEZNQCLSA-N 437.302 2.192 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256914155 VHHOZDVXLQKSDB-BBRMVZONSA-N 446.334 2.231 30 10 IEEE Cc1cnc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267115129 GQHHABVJPKXCNB-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267198047 SNDYPFSEQPQFRA-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cc1ccc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267233744 LOGCWCSPBUDMFU-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCCN1C(=O)OC(C)(C)C 2267498043 RESKWNLTYAWATO-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cn1nc(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267548595 SXHHLWWGZMMUIB-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267757996 ZPURVIZRJGKEDB-UHFFFAOYSA-N 448.325 2.088 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)nn1 2268641088 LTZDFRABSHSUFD-UHFFFAOYSA-N 447.345 2.093 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2312973017 DNVMUDCDBAVSFQ-HEHGZKQESA-N 449.382 2.314 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)C#Cc1cccc(Br)c1 2313880933 IZABQIDFKDNXPL-AWEZNQCLSA-N 430.320 2.308 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCCOCCNC(=O)OC(C)(C)C)[nH]1 2315344682 HOQVTZAWKHHAJZ-UHFFFAOYSA-N 435.374 2.454 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)C=Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 2328155905 IUIKWRRXYZQMEE-IPHXSNPTSA-N 449.482 2.187 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1 20292921 CEWQOKSVRAMXMI-SSDVNMTOSA-N 442.501 2.439 30 10 IEEE COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1N=C(N/C(N)=N/c2ccccc2C)N=C1O 40376570 UBCMGRADKOAFFE-HNNXBMFYSA-N 439.432 2.171 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 105342455 LIDZVAWVMZMUNW-UHFFFAOYSA-N 436.493 2.483 30 10 IEEE COC(=O)[C@@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13 118914287 DDHQRXOAZNEFKY-HWWQCWIFSA-N 430.497 2.095 30 10 IEEE in-vitro CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 443338481 VXTOVSNSZLLNBI-UHFFFAOYSA-N 434.562 2.458 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)cn1 461751445 ZDECTBUIKVNZLD-UHFFFAOYSA-N 429.484 2.206 30 10 IEEE C=CCNc1nnc(S(=O)(=O)Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)s1 479020318 HOAHBPOVXPAGFC-UHFFFAOYSA-N 440.528 2.168 30 10 IEEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(F)c(C#N)c1 488920713 ZAUMJJUITHGPCY-ZDUSSCGKSA-N 430.461 2.082 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489008669 BENZSSIDJWDFLL-HNNXBMFYSA-N 436.559 2.332 30 10 IEEE Cc1ncc(S(=O)(=O)NCCCNC(=O)c2ccc(Br)cc2)cc1C#N 489272996 XLYUVVCOVJPPBP-UHFFFAOYSA-N 437.319 2.123 30 10 IEEE N#Cc1ccc(N2CCN([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)nc1 498113539 FATCOMGRKGHQPO-KRWDZBQOSA-N 429.402 2.426 30 10 IEEE COc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(C(=O)N2CCCC2)cc1OC 505001840 AYNTUHJQFQHRGQ-UHFFFAOYSA-N 428.489 2.031 30 10 IEEE CC(=O)N(c1nc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1)C1CC1 506788902 INAFBEIRTNCDSM-UHFFFAOYSA-N 445.570 2.037 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 508881008 OISJVAAWNLIUQH-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 534402904 JYEIOTVMXRWXMN-QGZVFWFLSA-N 432.492 2.485 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(C(=O)N3CCCCC3)CC2)CC1 540474238 AZHTZBGLAATWQA-FQEVSTJZSA-N 443.617 2.181 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 549292108 NAEMHWXVNIUERO-FQEVSTJZSA-N 441.532 2.303 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cc(OC)ccc2OC)CC1 549643987 AXANAFHNHMWYIF-OAQYLSRUSA-N 443.548 2.282 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 581322998 MGZZWSRRRLAXMM-FQEVSTJZSA-N 425.533 2.142 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N(CCO)Cc2ccc(Br)s2)c(F)c1 586862498 YQXJJEIHHKKHDD-UHFFFAOYSA-N 440.294 2.159 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 588289745 PJNKAHMTPCKYIX-AWEZNQCLSA-N 428.518 2.322 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3cc(C(N)=O)ccc3OCC(F)F)CC2)n1 589387082 JMZVOGHTCHYRBB-UHFFFAOYSA-N 430.415 2.050 30 10 IEEE Cc1ccc(Cn2c(=O)c3c(nc(N/N=C/c4ccc(N(C)C)cc4)n3C)n(C)c2=O)cc1 606629559 BHKXFGCSZACPAB-AFUMVMLFSA-N 445.527 2.302 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC1 610026783 DLTWWPDDJDITEF-UHFFFAOYSA-N 432.528 2.337 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccoc2)c1=O 727416262 BWABPPAFXVRLOY-UHFFFAOYSA-N 438.505 2.324 30 10 IEEE CCN(CC)C(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Cl 732415560 BCIBOADCSRHRMS-ZCXUNETKSA-N 433.896 2.470 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCN1C1CC1 732663754 FFCAJINPYYCLAY-LJQANCHMSA-N 428.489 2.439 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CN(C(=O)OC(C)(C)C)CCC3=O)cc2C1=O 744459153 XFBCHJGONCRXPW-QGZVFWFLSA-N 428.441 2.204 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CCN1C1CC1 747480565 SXDWRHGJADSRQI-HXUWFJFHSA-N 441.495 2.276 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 747969754 DSEUALKELGWKBW-SITPEIFSSA-N 434.440 2.030 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 756134328 NJSKLIMQPQTFAS-UHFFFAOYSA-N 445.564 2.206 30 10 IEEE COc1ccc([C@H](CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)NC(C)=O)cc1 757577005 AXBUIUVQJKTJBI-WDSOQIARSA-N 430.505 2.138 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 758169251 HHJGTGWAJDXWIX-IBGZPJMESA-N 438.594 2.210 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NN=C2CC(=O)N(C(=O)OC(C)(C)C)[C@@H]2C)nc1 766430721 CMDGWYJHDMBKLA-CYBMUJFWSA-N 439.538 2.436 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 776265234 PGGIZGHRSRYFPS-GJZGRUSLSA-N 429.464 2.116 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 777757296 XIYVHNVBUNZPOX-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE N#Cc1ccc(CS(=O)(=O)Oc2cccc(NC(=O)CN3CCCC3=O)c2)c(F)c1 790828615 ATUCNXJTMKDBDS-UHFFFAOYSA-N 431.445 2.167 30 10 IEEE CC[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCOC2)O1 794305156 BRQYSJANNPPZIX-VGOFRKELSA-N 449.573 2.082 30 10 IEEE COc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c(C)c1OC 794391834 BZSQPUXDHZFTKZ-UHFFFAOYSA-N 447.513 2.478 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812387076 IKQVTLASTWLRGG-IEBWSBKVSA-N 448.976 2.186 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 812541065 NTMFANFXFZXEJU-OAQYLSRUSA-N 440.521 2.376 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 815555641 DNZHLDFFUICTAH-UZYVYHOESA-N 443.891 2.340 30 10 IEEE N#C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc(OC(F)(F)F)cc1 1127687383 QTVKPCJNQVCVLE-JKSUJKDBSA-N 432.358 2.407 30 10 IEEE CN(Cc1nnc2ccccn12)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1142657969 WYDCXKTZZCPYEX-UHFFFAOYSA-N 425.290 2.458 30 10 IEEE CN1CCN(c2ncccc2CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1142670426 FHRQHUBCNJRBMW-LJQANCHMSA-N 444.580 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 1159069982 DBRUHODIUPITAV-JOCHJYFZSA-N 441.572 2.172 30 10 IEEE N#C[C@]12CN(CC(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1198326637 HYMWWSNYKVOTRB-PGRDOPGGSA-N 425.510 2.074 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)cc1Br 1211414264 BFTLZEVGAADLAR-XJKSGUPXSA-N 443.294 2.223 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1)C1CCOCC1 1231332923 VBGVLWPPEXLVSD-RTBURBONSA-N 446.552 2.078 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1286414973 GYGRWPJQDHWVFC-XZOQPEGZSA-N 433.556 2.494 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCC[C@@H]2C)CC1 1286473715 RPASAMFXSBDKEU-INIZCTEOSA-N 446.397 2.275 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1286549012 VXIOUJUDOQFNCJ-UYAOXDASSA-N 446.596 2.092 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1286562764 SDWJMVISNIXLFN-QAPCUYQASA-N 437.541 2.051 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286606239 KJQOGLLJDXAVDT-GHTZIAJQSA-N 430.597 2.127 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286759113 ITPHVSYSQHXEPB-KRWDZBQOSA-N 433.553 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](c2ccco2)C1 1286821579 PQLXPPAWHZSBKN-SFHVURJKSA-N 427.530 2.452 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286833147 WCVMZLIZUAGOED-DLBZAZTESA-N 448.593 2.206 30 10 IEEE C=CC1(CC(=O)NC[C@]2(N3CCOCC3)CCSC2)CN(C(=O)OC(C)(C)C)C1 1292056951 GJEPYCLRKZWETE-OAQYLSRUSA-N 425.595 2.124 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1 1299209400 ALYIAJFVHXTWLU-UHFFFAOYSA-N 437.548 2.228 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N[C@H](C)c1ccccc1 1300271018 GAYBDDPORGTMGM-RCCFBDPRSA-N 446.621 2.476 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1300365198 RCMGSLPJNKNTCB-SJORKVTESA-N 449.602 2.327 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300371017 LQERDXSPUPAAJN-TZIWHRDSSA-N 435.528 2.445 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 1300408546 LEZNFMVQSNSAEG-QGZVFWFLSA-N 435.594 2.375 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1300944308 UWOCTIIOLCILKF-UHFFFAOYSA-N 436.495 2.211 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1301072282 GXEXSNOOSRJFHN-GOSISDBHSA-N 443.573 2.420 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301222701 DIIJQHGTLLLLQW-LJQANCHMSA-N 449.621 2.375 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1301391827 YQVIQGGXASCMMN-KRWDZBQOSA-N 435.594 2.150 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nccnc2C)C1 1301544467 XPWHXZFUOUUSMZ-GCJKJVERSA-N 428.537 2.053 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-n1ccnc1 1305789530 DZWZSQPPYFCWPU-LJQANCHMSA-N 448.531 2.159 30 10 IEEE CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1309027502 AQCVMGPMKYAZNM-NSHDSACASA-N 439.328 2.048 30 10 IEEE COCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316230094 PGDIFJSSDBXKLK-LJQANCHMSA-N 425.537 2.047 30 10 IEEE COC(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)n(-c2ccccc2)n1 1342482329 FZMOMIWXXUDHPR-UHFFFAOYSA-N 430.486 2.193 30 10 IEEE CCc1nc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nn1-c1ccccc1Cl 1352234459 DLNXQKIGZRTCTH-UHFFFAOYSA-N 426.868 2.167 30 10 IEEE C=CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 1353620599 SOFDWSVEQZLMQZ-UHFFFAOYSA-N 429.542 2.369 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1358913912 CFHSCBDQVVUWSY-LJQANCHMSA-N 444.605 2.175 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1358934792 NHCWCXXIBCZMON-SFHVURJKSA-N 430.505 2.036 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1359025519 RCALAFZRESIAKW-SFHVURJKSA-N 431.968 2.329 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccccc2)CC1 1359038026 HVUMDDJGJQEMMS-QFIPXVFZSA-N 433.560 2.283 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1359141350 DFIKVHFBGXIOAL-MRXNPFEDSA-N 440.331 2.466 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359201382 LOCKGXJTJJMHLX-QGZVFWFLSA-N 435.536 2.489 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1359229134 ZRNGELPWXZXIDZ-IBGZPJMESA-N 430.597 2.304 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1)C1CC1 1359247962 VYUXDLHCSXGMEH-FQEVSTJZSA-N 434.587 2.371 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1359255628 FLGRJZXQDMVXOW-SBUREZEXSA-N 433.516 2.283 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CCn1cncn1 1359257328 HOWRFDQMXHTURK-UHFFFAOYSA-N 442.531 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccco2)C1 1359295919 RESNSRVAMZNJCW-MRXNPFEDSA-N 428.880 2.467 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)C1 1359319879 HQXZZJTUTCTVPA-RTBURBONSA-N 427.553 2.220 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1359346000 XVCXXZDMKFWROF-UHFFFAOYSA-N 434.610 2.203 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCNc2ncccc2C#N)cc1 1442332990 DHGFAZKXNORXNS-GOSISDBHSA-N 425.514 2.095 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1445047935 FLZYZSYOHCXABC-IRXDYDNUSA-N 449.552 2.118 30 10 IEEE Cc1c(F)cccc1N(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCO[C@H]1C 1462108463 GTRMBPLWDLIMCM-KBXCAEBGSA-N 431.489 2.383 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccc(CC(=O)N3CCOCC3)cc1)C2 1465216639 DFWCDMKSUAJNPX-UHFFFAOYSA-N 425.514 2.193 30 10 IEEE CCOC(=O)c1cc(C(C)C)nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1472652039 SGWBLQRQRZFHAR-UHFFFAOYSA-N 443.529 2.159 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1475181583 COUIDUYBDBTKBX-HXUWFJFHSA-N 430.551 2.214 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(C#N)o1 1492583644 QDHFMFMIEKEPQM-UHFFFAOYSA-N 434.500 2.161 30 10 IEEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1500634292 GXIYLUCTEQKHNJ-IBGZPJMESA-N 437.548 2.244 30 10 IEEE CCOCc1nnc(N2CCc3ccccc3[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1503073941 ZPQDDVJDKSAIQM-VNRULFPQSA-N 436.516 2.465 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)C1 1505314688 IRLATVHPPLSXHU-SJCJKPOMSA-N 425.390 2.275 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507571933 RODKRNJMNZNAAP-JTAQYXEDSA-N 431.581 2.107 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507621991 DPVZXIWJCSVHIM-RBUKOAKNSA-N 449.621 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507669721 QKODNUAYBQEDJI-GOTSBHOMSA-N 433.556 2.146 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1507710503 HJMGOZLTPYKHCW-ROUUACIJSA-N 435.569 2.371 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2SC)CC1 1507716400 QIBBMXSHJUEKNZ-UHFFFAOYSA-N 442.564 2.179 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)CC)CC1 1507720907 NVRWQYQSTSIKMM-UHFFFAOYSA-N 443.617 2.433 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCCC)nc2)CC1 1507724434 PFBDVMLLCYEAIX-UHFFFAOYSA-N 431.544 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1507732757 XJJAARACFUQKSZ-LJQANCHMSA-N 446.596 2.184 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1507859920 GWYDKVPYTURJJJ-SFHVURJKSA-N 446.983 2.361 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507938486 DMFBPHAQKVSUSS-NRFANRHFSA-N 437.592 2.363 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1507966108 YPZKZSDPRXPMHR-QHCPKHFHSA-N 428.533 2.466 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CC1 1508039431 ODOSXCAXTSLBMH-JJCDCTGGSA-N 432.546 2.341 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1508082421 SPAYOSGYWDSDSP-UHFFFAOYSA-N 428.512 2.127 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508088423 ATAMCSZCQOSYRR-BGYRXZFFSA-N 445.656 2.164 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC(F)(F)CO2)C1 1508109435 MDRYQXOMLWRBBL-JKSUJKDBSA-N 427.496 2.402 30 10 IEEE Cc1nnsc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCC(C)C 1510506369 BRZOZDPMFUZGIY-HNNXBMFYSA-N 437.595 2.155 30 10 IEEE Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1511060039 GMPFXYZYBPDJBC-PGRDOPGGSA-N 426.496 2.353 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1515246894 JRSDYMHPYLGFAO-UHFFFAOYSA-N 448.527 2.466 30 10 IEEE CS[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(C)(C)C 1519875132 IAGKBFIWUKKIHN-KRWDZBQOSA-N 428.562 2.443 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@]3(C#N)CC34CCCC4)CC2)cc1OC 1530270809 FERVHTZAQROBMM-JOCHJYFZSA-N 447.557 2.447 30 10 IEEE N#CC1(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCOCC1 1534784221 YKTZPBKJKLZSRT-UHFFFAOYSA-N 438.507 2.269 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1538031252 DKEVQOIQJBMQRA-SCLBCKFNSA-N 434.459 2.491 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1538972112 JGHDTLBCDLLVMA-YHUYYLMFSA-N 431.562 2.279 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C2CC2)N(C)C)c1 1539043390 PVYMPYVXNAIFHT-FPOVZHCZSA-N 436.560 2.178 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CO)c1 1539333887 NSYLYTPWRSVZQC-UHFFFAOYSA-N 433.537 2.273 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C=C)cc2)CC1 1539476875 GWMNJLDEQVZYPC-OAQYLSRUSA-N 446.555 2.081 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1540126878 MAPQDIWVPIAJBT-JPYJTQIMSA-N 425.533 2.247 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540858712 YQUVOIUTFDIJEP-UHFFFAOYSA-N 430.940 2.283 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1[C@@]1(OCC)CCOC1 1540875998 FATQIDXRARPTLU-WMZHIEFXSA-N 441.532 2.280 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CCC1 1541472112 YWIBDVAXMDWCOI-HKBQPEDESA-N 441.605 2.371 30 10 IEEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1541535880 FLFYRJNIIJPEJQ-UHFFFAOYSA-N 443.533 2.017 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(Cl)nc1 1541926253 PAVUYEWHOYTYRZ-CYBMUJFWSA-N 437.957 2.115 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1542468718 HNORCAUYNCROOZ-GOSISDBHSA-N 440.401 2.286 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 1546315797 LINQXKMSVIOFQN-XCVCLJGOSA-N 425.460 2.109 30 10 IEEE CCCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C#N)C1 1547247797 ICDYVBYJFJHBDZ-LPHOPBHVSA-N 442.520 2.072 30 10 IEEE COCCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(N)=O 1548377468 MKOYBDVFURZUPX-KRWDZBQOSA-N 438.450 2.144 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555273966 FBMCPJHQLHGLED-SJORKVTESA-N 432.475 2.104 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1555504302 SDDVQWKILRRGKO-UHFFFAOYSA-N 428.537 2.359 30 10 IEEE C=CC[S@@](=O)(=NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1558718426 HJNGZHDYJIKGIY-CRYYWNKWSA-N 442.946 2.219 30 10 IEEE CCn1c(CN2CCC[C@H](CC#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1559991796 HOGVVAAZQAFCNF-QGZVFWFLSA-N 431.562 2.203 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)CC1 1562286247 AXVMZQQLKPEKFM-UHFFFAOYSA-N 440.456 2.216 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3ccc(S(=O)(=O)NC)cc3)n[nH]2)c1C 1565574250 BPLJOHVYZHHLPY-ZDUSSCGKSA-N 442.545 2.475 30 10 IEEE C=CCC[C@@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OCC 1569183611 AERIVFGCRKLUIF-CQSZACIVSA-N 444.269 2.035 30 10 IEEE Cn1ncc(I)c1C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1588014025 HZXWCGIBFQBIDL-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1594491501 CBCBLPVYIRZZGP-DOTOQJQBSA-N 442.568 2.406 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1594625590 HKNOWKIHQUXSBX-QGZVFWFLSA-N 435.594 2.032 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)C(=O)C1 1594652088 WZSZWYWAFCLSLY-UHFFFAOYSA-N 428.562 2.437 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1595545263 UCANIURHQYBHIL-VQTJNVASSA-N 441.532 2.106 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1596830478 BEGLFSYTCUTHBW-QFBILLFUSA-N 442.589 2.207 30 10 IEEE CCCCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1596976707 BXDAISLLGPBKDS-LJQANCHMSA-N 433.578 2.198 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1598148286 KUNJGFRFVBABDC-UHFFFAOYSA-N 428.333 2.319 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1 1598318536 AZUJFMDNOYXIGQ-MAUKXSAKSA-N 433.530 2.072 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1612176421 DPUBADKBWMLKGM-KRWDZBQOSA-N 445.531 2.219 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCOCC(F)F)CC2)c1C#N 1612469967 JWSFHWIRLSWAAO-UHFFFAOYSA-N 436.511 2.098 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCN(C)CC(F)(F)F 1613547285 ARABREOXJMLGQW-UHFFFAOYSA-N 429.491 2.431 30 10 IEEE CN1C(=O)/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)S/C1=N/c1cccc(C(=O)O)c1 1614964340 GRAJFCVPNODDNB-ZOKPAGGWSA-N 437.433 2.420 30 10 IEEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1615509780 QGUBPMVURZWULK-PZJWPPBQSA-N 429.561 2.232 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)c(Cl)c2)CCOC1 1616260535 CMOSRCHVUVBKIX-MGPUTAFESA-N 435.887 2.500 30 10 IEEE CCOCCn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1617198451 HMUJFGGMPVSPAD-UHFFFAOYSA-N 448.575 2.340 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1617290885 BPVLGDXOMHNGAE-IBGZPJMESA-N 430.578 2.028 30 10 IEEE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618131274 JKOIPIBXJICTAL-IUCAKERBSA-N 449.254 2.386 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)CC1 1619547984 BJQILPBMQBNQCG-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1631232492 XTBKOHQCAZCYCU-UHFFFAOYSA-N 432.527 2.055 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)c1 1633108774 VOTRVRZSDQPIDP-UHFFFAOYSA-N 434.427 2.429 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](CC(F)(F)F)O1 1633624855 WMYCGWRRGHODNL-DAXOMENPSA-N 438.406 2.332 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c1 1634715395 UXEDGRULRNRVRP-UHFFFAOYSA-N 444.484 2.347 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1635143544 ZQULWMQPWIKZDY-ZIAGYGMSSA-N 439.509 2.356 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1636782006 CQXGCAKZCFHFNA-JTSKRJEESA-N 429.521 2.064 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1639822125 RUSVRBZRDLBGEG-ZMPRRUGASA-N 445.541 2.312 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c1cc[nH]n1 1640948906 FMJOYEAXGDSEHI-HNNXBMFYSA-N 438.525 2.346 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1642546188 ZWFLEZYOSANWIR-UHFFFAOYSA-N 449.554 2.189 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1644628845 PSRRFQOUMCLAKT-FQEVSTJZSA-N 440.588 2.358 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)cc21 1652964379 LTRRRJCEDIOVGQ-IPMKNSEASA-N 444.557 2.271 30 10 IEEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1680087688 BHIOYOSUBWZZFK-UHFFFAOYSA-N 429.493 2.353 30 10 IEEE Cn1cc(CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 1681499657 MNFRTJIPMVNYEY-UHFFFAOYSA-N 444.561 2.008 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)c(OC)c1OC 1683452364 NAZCGRUBCVJVIE-UHFFFAOYSA-N 444.513 2.313 30 10 IEEE C#CCOc1ccc(CNC(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)cc1 1685306377 RTLHTWQZIQVHNW-KRWDZBQOSA-N 427.482 2.151 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1689952373 CTBMQKKBRZSLFM-UHFFFAOYSA-N 434.544 2.156 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689979565 DAMCXKRSSDUZBS-QGZVFWFLSA-N 434.537 2.419 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1689984612 RIBOVIXIKYREHX-FQEVSTJZSA-N 441.557 2.260 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1690077895 YYKCJKLHKOMXIY-NRFANRHFSA-N 438.576 2.276 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(=O)NC1CC1 1690195918 RMDHGFBXMZWDQY-PKTZIBPZSA-N 429.565 2.370 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690205869 ACRPXYFFOTYLAD-HTAPYJJXSA-N 444.557 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1690251644 XLUQUBAJNIEMKF-KNKQGSTJSA-N 439.560 2.365 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690437396 BSMCOALORJCGKQ-LJQANCHMSA-N 430.597 2.304 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690476669 LARXBDFVQCDYIL-SFHVURJKSA-N 437.552 2.044 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690500560 ZHUAXHHAOCYHCK-KRWDZBQOSA-N 443.504 2.196 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690669701 MKYYBNICXJKQAU-UHFFFAOYSA-N 440.523 2.339 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1690677891 DLVMVTZROAJWLO-LJQANCHMSA-N 444.967 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOC[C@@H](C2CCC2)C1 1690724711 VDKXYBBICUUJIW-OALUTQOASA-N 438.594 2.026 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1690732281 YIYNRQDIMYWPEH-UHFFFAOYSA-N 434.610 2.176 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)C[C@H](C)O1 1694936853 URWPSOXXIAEUEI-QFBILLFUSA-N 446.577 2.150 30 10 IEEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1695663980 FPEQJOFGYIJCOI-BGYRXZFFSA-N 426.521 2.022 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)C[C@@H](C)C#N)CC1 1695866617 AAASRUUCKXAUIO-ROUUACIJSA-N 439.564 2.296 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705516374 ZSJPKRFLSHKYQW-SLFFLAALSA-N 431.581 2.343 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1 1705572130 RLLCUBXOXYROKR-UHFFFAOYSA-N 433.560 2.169 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)C1CC1 1705574381 CDCJLDHYVQXPAL-UHFFFAOYSA-N 426.318 2.307 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)c2ccccc2F)CC1 1705637701 IQONKNZGDHPABP-UHFFFAOYSA-N 436.539 2.099 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705663999 URUHJBTXVAVRIQ-UHFFFAOYSA-N 444.649 2.122 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC2CCCCC2)CC1 1705905045 HOVZBKJQSBVYQC-UHFFFAOYSA-N 437.592 2.268 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(C)(C)O 1706076665 BLPWXWGIMOWZDW-HXUWFJFHSA-N 439.608 2.400 30 10 IEEE CC(C)(O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706200426 JTWMRWVEHGWBGP-OTWHNJEPSA-N 443.573 2.085 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1Cc1ccc(C#N)o1 1706882684 VRMOBMDSYMBOCW-CZUORRHYSA-N 430.490 2.336 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1710499151 GNLCUKRFKHTSII-HZPDHXFCSA-N 434.566 2.382 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722314127 HRCSYMXSXVBZFM-GOSISDBHSA-N 430.578 2.218 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1722317048 QBDFTEYDMVBZOW-LJQANCHMSA-N 431.562 2.491 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1722332477 LSCXDTBNCYMFSG-HRAATJIYSA-N 432.500 2.442 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722360214 FIOYIQFGGGWPAS-MOPGFXCFSA-N 444.605 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncc(CC)s1 1722380760 XKSJHWIWVNAHTD-UHFFFAOYSA-N 443.536 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccco1 1722384794 UHHCYVRVFJEHHM-SFHVURJKSA-N 425.489 2.301 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1722508155 IAXIJQBEPZFJFY-UYAOXDASSA-N 426.521 2.134 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1722700894 YECNYZZSEBMCQP-BXUZGUMPSA-N 444.483 2.092 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)C1 1722722247 MQLCVEDRZUPYOL-ZHRRBRCNSA-N 429.496 2.256 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1722723017 UMXVEQPBWCZJMD-QUCCMNQESA-N 446.573 2.382 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1(C)C 1723018198 UOMZQPWTTLJTOK-LTIDMASMSA-N 430.553 2.188 30 10 IEEE CC[C@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1726858895 BZMIMHFAWHLUSY-WJRACZLCSA-N 446.596 2.240 30 10 IEEE CO[C@H](CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1729859236 PXMFSTMOJOVUSZ-ZWKOTPCHSA-N 449.481 2.408 30 10 IEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1F 1730131781 GPKGBCAHIZEFCA-HOCLYGCPSA-N 435.525 2.166 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1740544817 KPVJJLYXNSMKRO-MSOLQXFVSA-N 434.544 2.390 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)SC)c1 1740563572 UKKCHWHKUCUMDF-OAHLLOKOSA-N 428.562 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1740655610 DPDJYYSFSDRIKB-NRFANRHFSA-N 425.577 2.280 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ncccc2C)CC1 1740704884 VPPJXMDQQJRZCA-UHFFFAOYSA-N 429.528 2.366 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740714646 FTEFVOAIRVUWLJ-HXUWFJFHSA-N 437.573 2.425 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740955234 ZMKVFLGKTKBXLJ-SFHVURJKSA-N 432.488 2.194 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C1 1740979944 DOZNKOCJGAGZPV-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740986629 CIQFQPKFZBGXNF-PKOBYXMFSA-N 445.589 2.088 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1745885279 ABUIJTSAGZCTFD-UHFFFAOYSA-N 428.500 2.379 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1748757984 QSXSIWZMSNZCOR-UHFFFAOYSA-N 437.508 2.499 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1748820451 BWDXSZZGPFZWIF-LJQANCHMSA-N 430.578 2.123 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCOC1 1748912525 GHWCQFOOCPOCCV-KRWDZBQOSA-N 430.578 2.433 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1748928923 BAQCIXVDRRZKAE-QGZVFWFLSA-N 430.509 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCC2(C)C)CC1 1749011037 YRXWNBIGSFCTMA-MSOLQXFVSA-N 426.565 2.021 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749189880 WVLSIMSJUGJMOS-QGZVFWFLSA-N 446.987 2.077 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1749449580 PNUIGJXDHBSLCC-IBGZPJMESA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1749666031 DUKHFYNMUMYIRM-GOSISDBHSA-N 439.564 2.083 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1749829878 ACFQHYAVUADEOT-IBGZPJMESA-N 436.520 2.290 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1750745297 JWHHUASISLSYCC-SGRLSNSRSA-N 438.536 2.078 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1760095507 QWKDTUMDWRGRDL-MOPGFXCFSA-N 438.576 2.143 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760186919 HASLLQSMZCVREP-IAGOWNOFSA-N 448.614 2.471 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1760191881 ASTMYRQYIHYCKU-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(Br)c1 1760201447 BHHVHFQVRYGRIF-MRXNPFEDSA-N 442.317 2.121 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1760205425 AYSTUPQZUOMVGL-NZQKXSOJSA-N 433.556 2.124 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760245050 PCUVXWWTTCLBSB-UGKGYDQZSA-N 441.488 2.277 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2CC2)c1 1760249094 HPFJVFCZUFYOER-FQEVSTJZSA-N 428.558 2.192 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](C)N(C)C)CC1 1760266965 CGHBTLQPOSVBBB-SFHVURJKSA-N 445.571 2.409 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760408325 JGGTUAQBXKRDRE-KDURUIRLSA-N 438.536 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1760522988 IWGZLZZCQHEFIJ-INIZCTEOSA-N 436.516 2.128 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760565536 ZASUQQLRTBLMNQ-LJQANCHMSA-N 449.621 2.167 30 10 IEEE CC(C)(Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1760810778 XWXFSPMIVMKWCM-LLVKDONJSA-N 426.399 2.323 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1765701816 AKBCALBJEPDXFM-UHFFFAOYSA-N 446.515 2.436 30 10 IEEE CCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1765713815 KDBFJQKEFGVNFF-XUTLUUPISA-N 438.488 2.437 30 10 IEEE CC(=O)N1CCc2ccc(S(=O)(=O)NCC#CCN(C)Cc3ccccc3)cc2C1 1849766839 FQFKTKQSUJRWEN-UHFFFAOYSA-N 425.554 2.005 30 10 IEEE C=C(C)n1c(=O)n(CCCC(=O)NCCS(=O)(=O)N2CCCCC2)c2ccccc21 1852543937 STPYEMVGKZRFBU-UHFFFAOYSA-N 434.562 2.006 30 10 IEEE C[C@H]1CC(=NC(=O)c2ccccc2N2CCS(=O)(=O)CC2)NN1c1ccc(Cl)cn1 1852606203 GESFABOBQOVQIJ-AWEZNQCLSA-N 447.948 2.312 30 10 IEEE N#Cc1cccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1852629090 FULYLAHBDHEANB-UHFFFAOYSA-N 433.917 2.375 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858334121 CGFBTXROVPDZFH-KRWDZBQOSA-N 449.554 2.087 30 10 IEEE N#Cc1ccccc1NC(=O)c1ccnc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1860508246 OASCZHWWZNXFMV-UHFFFAOYSA-N 425.404 2.440 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(C(=O)O)cc1 1864739008 YDUIQVXRCHNPSL-GOSISDBHSA-N 431.452 2.271 30 10 IEEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CN1CCN(C)CC1 1870473276 UTAQLCBDGMUQSF-UHFFFAOYSA-N 425.529 2.329 30 10 IEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1870962672 ZQAGKYCPXXQNMB-UHFFFAOYSA-N 444.488 2.258 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc3c(c2)OCCO3)CC1=O 1874340053 AEZNEDASFXTOPZ-LTNVFZTJSA-N 445.545 2.130 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)CC1 1889383689 LALXSRUZVPJJBM-HSZRJFAPSA-N 425.573 2.200 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)c2cccn(Cc3ccccn3)c2=O)CC1 1891294723 SGCNIDAOABHVPR-UHFFFAOYSA-N 429.480 2.489 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OCC 2006228045 KIMDLJXPCJITBQ-STQMWFEESA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)=C[C@H]1O 2067765132 UUVDNUKPJHCLHD-JJTUDDRGSA-N 434.342 2.121 30 10 IEEE COC[C@@H](CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2085661733 SDYFGUJNGFGSAH-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CC(CB4OC(C)(C)C(C)(C)O4)C3)nn2)C1 2124543215 ORFZAZKLZKZUBT-UHFFFAOYSA-N 447.345 2.234 30 10 IEEE Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)ccc1C#N 2174787995 ZTCLCAPSGDCSTM-PMACEKPBSA-N 429.498 2.229 30 10 IEEE C#CCOc1cccc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)c1 2179339111 QHUHFTPXTLYXJF-NRFANRHFSA-N 430.457 2.465 30 10 IEEE Cc1cnc(N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224123732 IHYHJXCUFBKVMN-HNNXBMFYSA-N 433.358 2.471 30 10 IEEE C=CCCC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2247412345 YZUXGOGHKMNUHP-HOTGVXAUSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2248446100 VUMUJOASMPVOPE-GFCCVEGCSA-N 441.359 2.045 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CO[C@H]1C2 2254829805 NWWUCAYMGAUCFF-XUJKJYMVSA-N 440.544 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255834109 KUGIOAJUHUHFDQ-OKILXGFUSA-N 434.346 2.132 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255844217 SOKQWRIXHLJATA-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256599037 SVLGSVZIMJSXNM-UHFFFAOYSA-N 449.342 2.197 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009974 PXYDKGCXKWDAAY-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267095350 MIRQFMPYDIVHNT-UUOWRZLLSA-N 436.365 2.351 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267130991 VUDFOMSVOXIUHM-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NCC[C@@H]3CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267162450 BADSPDOYNIHENO-LJQANCHMSA-N 436.365 2.418 30 10 IEEE CCn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267178709 GJHRTTBHBLNZTP-LSDHHAIUSA-N 448.373 2.330 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267188949 TUXNSCVCACKEST-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2267490315 ZQYFZCGJNBNRIG-HOTGVXAUSA-N 443.353 2.462 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502966 VZKMUAMNFOYFLH-CABCVRRESA-N 448.373 2.143 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267801842 KPQZNVXDZNWYRT-UHFFFAOYSA-N 448.325 2.136 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268637526 CTUWUOSQOYAVGK-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268725179 SIFAMPSFQTUFHW-OAHLLOKOSA-N 447.341 2.203 30 10 IEEE CC#CCN(CC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2300545833 RKXULAVOYQRTJU-UHFFFAOYSA-N 439.553 2.125 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@@H](N)C#Cc1ccccc1Br 2313857215 VQZPLVOZLKVPHU-LSDHHAIUSA-N 431.352 2.066 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1C 2337329456 CFSANRSDYUVEFL-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE CCC(=O)OC1=C(C(=O)c2ccccc2)N(CC(=O)OC)S(=O)(=O)c2ccccc21 21173499 ISDIXOABICBMCE-UHFFFAOYSA-N 429.450 2.369 30 10 IEEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(CCC#N)C3)cc2)n1 62040727 JWBWWHIXKCRFJV-QGZVFWFLSA-N 442.545 2.458 30 10 IEEE Cc1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C#N)c1C 96970410 OMRHYLMPUBEYGC-UHFFFAOYSA-N 436.534 2.321 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccn2)/C1=C(/O)c1ccc(F)cc1 102707417 ZQGMLLVMRUONCE-GOBJLOIFSA-N 425.460 2.365 30 10 IEEE CN1/C(=C/C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)C(C)(C)c2ccccc21 103129140 XTPCODKYCOCTED-UDWIEESQSA-N 433.464 2.114 30 10 IEEE COc1c(Cl)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)c(OC)c1Cl 169883677 UDWRZOFPAKGDME-FXBPXSCXSA-N 433.273 2.150 30 10 IEEE Cn1c(=O)c2c(nc(N=C/C=C/c3ccc([N+](=O)[O-])o3)n2Cc2ccccc2)n(C)c1=O 254625456 YSSAKFBWZDCTLQ-MZMJOOCESA-N 434.412 2.399 30 10 IEEE N#Cc1ccc(OCCNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 465971066 FTINDNJMQYOROF-UHFFFAOYSA-N 442.541 2.231 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccc(F)c(F)c3)CC2)c1C#N 472072320 DMOMRSZUBVIHBE-WOJBJXKFSA-N 443.502 2.155 30 10 IEEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 475767359 AMATVZPGHOZPRM-KSSFIOAISA-N 438.406 2.002 30 10 IEEE N#CC1(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCN(Cc2ccccc2)CC1 479279280 MOJCWLXCVFBZOE-UHFFFAOYSA-N 438.553 2.415 30 10 IEEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482563458 VXRINVTYCZYFED-INIZCTEOSA-N 447.541 2.408 30 10 IEEE COc1cccc(C[C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 494696553 JFTTWVCQYXAYOB-QGZVFWFLSA-N 442.541 2.214 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCOc3ccc(F)cc32)CC1 548042266 UHOUHGOGWIBARW-SFHVURJKSA-N 444.488 2.237 30 10 IEEE CCn1c(=O)c(C(=O)CN[C@H](C)c2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 548936388 QTIPTTPBCPHOCT-MRXNPFEDSA-N 431.496 2.066 30 10 IEEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H](C)n2cnc(C#N)n2)C1=O 552722520 AGDFIBOAVRTHSP-DZGCQCFKSA-N 445.321 2.402 30 10 IEEE CCS(=O)(=O)N1CCC([C@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 563473596 HDTAMJCDFZUZLK-ZDUSSCGKSA-N 433.983 2.282 30 10 IEEE C=CCOc1ccccc1CNC(=O)N[C@](C)(C(=O)O)c1ccc(S(C)(=O)=O)cc1 571503210 JLARXSOECYVGOC-NRFANRHFSA-N 432.498 2.454 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)C)CC1 578209241 REVXMRGSIFNVAO-UHFFFAOYSA-N 448.575 2.211 30 10 IEEE Cc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824647 WICIKCZUGGKDLA-ZXFANKLMSA-N 431.492 2.110 30 10 IEEE CC1(C)CN(C2(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)CCCCC2)CCO1 586862158 LUVNBXWYDFNWPD-UHFFFAOYSA-N 430.524 2.243 30 10 IEEE Cc1cc(N2CCN(C(=O)CSc3nc(N)c(C#N)cc3C#N)CC2)nc(C(C)C)n1 603905024 GHVFWKGJVYVTNA-UHFFFAOYSA-N 436.545 2.070 30 10 IEEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1OC 609824786 OCBCYXMKTYTIMK-UHFFFAOYSA-N 447.488 2.298 30 10 IEEE CCOC(=O)CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617056919 IVDQRJYJFQKMNB-HXUWFJFHSA-N 426.517 2.424 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(Cl)nc(N(C)C)c2)cc1OC 733678848 LQXDROMGDRTWBU-OAHLLOKOSA-N 430.892 2.500 30 10 IEEE CN1C(=O)C[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)[C@@H]1c1cccc(Cl)c1 734703470 AWBZTSGOXGDQNF-MJGOQNOKSA-N 431.901 2.377 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)CC(=O)N2C)cc1 734916765 GEQFHCOZLCUDGF-MOXGXCLJSA-N 427.501 2.489 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCCSC)c2=O)cn1 735067943 BPBPIPHJWRWTPK-UHFFFAOYSA-N 432.615 2.388 30 10 IEEE CC(C)[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCc2ccccc21 741339653 ABLJTPRDVPDZAG-AGGMBTAESA-N 425.485 2.450 30 10 IEEE C#CCN(C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 743746301 HWGNWQXNQUKKOM-OALUTQOASA-N 434.558 2.161 30 10 IEEE Cc1cc(NC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n(CCC#N)n1 746421956 KBHNNGCEZDITQE-QGZVFWFLSA-N 440.504 2.426 30 10 IEEE COc1ccc(N2CCN(C[C@H](O)Cn3nc(-c4cccc(C#N)c4)nc3C)CC2)cc1 758222782 JZIVCLRHSJXZNI-QFIPXVFZSA-N 432.528 2.317 30 10 IEEE Cn1c(SCCS(=O)(=O)c2cccc(C#N)c2)nc2cc([N+](=O)[O-])ccc2c1=O 762485865 ZUAYEINSAFZBIW-UHFFFAOYSA-N 430.467 2.279 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 781049565 UMVZZDXVHIDOHA-QGZVFWFLSA-N 435.546 2.118 30 10 IEEE CC1CCC(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)CC1 787059789 HHPZBTAUIYFMSX-VHHHDHQQSA-N 426.473 2.347 30 10 IEEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3)c2=O)cn1 793467869 GZLABFNRANDOIU-UHFFFAOYSA-N 437.484 2.391 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCO2)c1 802695204 TXGPZRYOMAQIQQ-RBUKOAKNSA-N 438.532 2.318 30 10 IEEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2C[C@@H]2COC3(CCOCC3)O2)n1 803180832 SBHCVXZOLITKBT-MRXNPFEDSA-N 438.513 2.371 30 10 IEEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(F)cc1 812750731 CZVCSHNZILLIPP-PKOBYXMFSA-N 442.468 2.254 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)c1 812918257 DSAJBYSTQSIXIP-PUAIJGIWSA-N 432.468 2.465 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OCc3cccnc3C#N)c2)CC1 813167402 IJQXYIKRRVNNPI-UHFFFAOYSA-N 448.932 2.290 30 10 IEEE CC(=O)N1CCC(N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)CC1 914551520 FUDOVTCANDSBIB-GOSISDBHSA-N 432.521 2.437 30 10 IEEE CCn1c(SCC(=O)NS(=O)(=O)Cc2ccccc2C#N)nnc1-c1ccco1 916177863 BVGHZXITRWNDDD-UHFFFAOYSA-N 431.499 2.168 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)ccc1F 917937291 CVVTXWOZAQFSDU-UHFFFAOYSA-N 443.504 2.353 30 10 IEEE COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1124651837 VHVXSNWLIZNALQ-UHFFFAOYSA-N 427.461 2.127 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)ccc1F 1126630406 AVKGTSHNECNTGT-UHFFFAOYSA-N 440.460 2.054 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1134995974 LASYUIWZOUKPDV-FZKQIMNGSA-N 445.463 2.176 30 10 IEEE C=CCC[C@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1158289424 VJTRRCPOEOMXFR-INIZCTEOSA-N 435.525 2.478 30 10 IEEE CC(C)(CCN1CCOCC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1167523921 YBSGAROVFAYABU-OTQYULQBSA-N 434.581 2.390 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N(C)[C@H]2CCC[C@H]2C#N)c(=O)n(-c2ccccc2)n1C 1171050222 CMAYESNZXVCUER-WMZOPIPTSA-N 441.557 2.307 30 10 IEEE CO[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1197325869 LHDANHKCHBLKAA-HKUYNNGSSA-N 428.430 2.188 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)NCc3ccc(C#N)s3)CC2)C1 1252041291 HESZKTGPWIHZLH-AWEZNQCLSA-N 432.546 2.484 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1254599138 LPDNYKXWKODCFH-OAHLLOKOSA-N 429.926 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC(F)(F)F)C1 1286291398 XDUMFHNCTDWHEF-KGLIPLIRSA-N 438.454 2.348 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)OCCc2sccc21 1286432242 BVNSQXDBGWERNC-HSZRJFAPSA-N 437.569 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1286439571 RULROGFAGUHWEZ-UHFFFAOYSA-N 448.552 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)O)CC1 1286492620 NTJXCVYQEZDVFC-UHFFFAOYSA-N 445.951 2.247 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1286562295 JWPVHBKOCRCKTD-UHFFFAOYSA-N 448.593 2.441 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286715336 HOGICEVSJIKSFH-QGZVFWFLSA-N 448.531 2.216 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1286715973 ZZIJKNYXUSDRCX-UHFFFAOYSA-N 431.298 2.207 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1286766528 STVGSKQKXUEPAA-UHFFFAOYSA-N 449.533 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286825582 SVQXMNSVMLIQNU-BRWVUGGUSA-N 426.583 2.370 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286833080 USLRLPLSCJDCCF-QFBILLFUSA-N 426.608 2.454 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN(C)C(=O)OC(C)(C)C 1290857954 FENYDDGSFUMBGR-UHFFFAOYSA-N 440.552 2.437 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCNS(=O)(=O)CC 1291859442 HGBDTVAJMKBTGB-IBGZPJMESA-N 430.578 2.499 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC[C@H]1CC 1292132834 DBOKYRJNHDULGC-MOPGFXCFSA-N 431.585 2.190 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)CC1 1297801980 KOTWGEOMZQJAMQ-UHFFFAOYSA-N 428.489 2.294 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccs2)C[C@H]1O 1299412386 LEQDOCZRRGBHJY-IEBWSBKVSA-N 437.525 2.481 30 10 IEEE N#Cc1cccc2c1CN(C(=O)CNC(=O)c1ccccc1I)C2 1300167913 FCJGZFRMZCLFEV-UHFFFAOYSA-N 431.233 2.435 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1300601756 KKGKMFSPFRJSDY-ZDUSSCGKSA-N 443.932 2.219 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300745372 JRSKRJXNGZOAKC-INIZCTEOSA-N 429.546 2.030 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300769853 KYNFWTTXHCLJCG-MSOLQXFVSA-N 439.497 2.209 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300875266 MRRLIIRTNIEUGO-ZCNNSNEGSA-N 441.557 2.421 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCC(C)CC2)CC1 1301105262 GGAVPLHYERPGTC-ROUUACIJSA-N 438.642 2.411 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1301239075 KRYGDNQUSDKHKO-QGZVFWFLSA-N 433.578 2.086 30 10 IEEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301331821 WBTYOJLGOMOYRP-MRXNPFEDSA-N 449.552 2.433 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1301370826 JUZXEHCVQYFAPC-OAQYLSRUSA-N 431.924 2.191 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1301379306 FVVJTKMGZFDSLY-WJOKGBTCSA-N 438.561 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2c(F)cc(F)cc2C1 1301482336 VKPHVDUAAKYCDF-CQSZACIVSA-N 435.475 2.145 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301508889 WVEIILMTYQQFPG-UHFFFAOYSA-N 428.581 2.294 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)C1 1301555296 AWWQSBZWBILAQS-WBVHZDCISA-N 438.500 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1301578328 XKINZGVRXTVDJC-QFBILLFUSA-N 429.546 2.279 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301605929 DMPYLDWEIAOBOU-UHFFFAOYSA-N 437.577 2.388 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1301612018 UMIAMVUILXLQQV-FQEVSTJZSA-N 445.589 2.478 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 1303499084 USTZXXGZVZEJFT-SJLPKXTDSA-N 449.573 2.221 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)C1 1303947358 OUPRZPOKXHOHGU-CVDCTZTESA-N 438.532 2.104 30 10 IEEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCCOC(F)F)C2 1303996126 KHUARXUSPVMRRR-HXUWFJFHSA-N 432.431 2.477 30 10 IEEE CCC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1306588199 GSHGYPDJCCDLTE-QGZVFWFLSA-N 437.552 2.329 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1312948689 QASYZQIIIMGNCR-TVZIFOOBSA-N 445.541 2.136 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCOCCCO)c1 1316528888 KBTMWINXCSLKOD-OAQYLSRUSA-N 425.533 2.469 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)c2)NC(=O)NC1=O 1345391651 UVODJTDFHAGEDQ-DEOSSOPVSA-N 449.486 2.285 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1358921324 VDHDVPVKWUNVGR-QGZVFWFLSA-N 431.537 2.417 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc2c1OCCCO2)[C@H]1CCS(=O)(=O)C1 1358955383 KWKCDVDAXBIGLC-SFHVURJKSA-N 444.557 2.238 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358958841 WZYJMEHEIMVHRC-LJQANCHMSA-N 441.557 2.116 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961958 HOMFBKPLPUWJMR-VQTJNVASSA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1358962237 MNTYTEAGCSASID-SJORKVTESA-N 449.602 2.268 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCn2ccnc21 1359019396 UJBAUOBZZAIYEW-XXBNENTESA-N 442.564 2.179 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC2CCOCC2)CC1 1359044033 SFCCRELWFLBIGM-UHFFFAOYSA-N 436.560 2.431 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCN(C(C)C)CC2)CC1 1359169877 YMMADJPDHCHXFW-PMACEKPBSA-N 433.597 2.394 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)C(C)C 1359264448 GDPNDOMYEHAXEC-PMACEKPBSA-N 443.596 2.052 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nnn(C)n1 1359278907 LCWIACMJCJPUQO-CQSZACIVSA-N 428.566 2.342 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1359342870 GOSLBZSIQFLKJK-IKGGRYGDSA-N 443.639 2.155 30 10 IEEE C=CCSCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1359346768 VORJEAHFKZUMTD-UHFFFAOYSA-N 429.594 2.315 30 10 IEEE CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H](C)CS(=O)(=O)CC 1360303444 DMCOGLPVSFTZJN-DZGCQCFKSA-N 425.938 2.236 30 10 IEEE C#CC[C@H](NC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C)C(=O)OC 1451176302 AZXFELJVNIQONM-GOEBONIOSA-N 432.473 2.051 30 10 IEEE C[C@@]1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)C[C@H](O)CN1C(=O)OCc1ccccc1 1456514629 TXGYFIAAUJVBJH-UGKGYDQZSA-N 428.485 2.013 30 10 IEEE Cn1ccnc1[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 1463862130 DGQRHCNMISMPSD-RISCZKNCSA-N 443.298 2.392 30 10 IEEE C#CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1CCOc2ccc(Br)cc21 1465179537 GPXFXLAVEUOFDV-DOMZBBRYSA-N 429.336 2.062 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1F 1470341455 XVQNEIORDNWEDI-UHFFFAOYSA-N 429.473 2.475 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)cc1 1470879588 WKIOPYVLKSNXII-JOCHJYFZSA-N 438.553 2.445 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)Cc1cscc1Br)c1cc[nH]n1 1471623030 QSBPIWYEFBRZDT-UHFFFAOYSA-N 429.296 2.176 30 10 IEEE COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1C 1471984135 POPKCZYHUNXBQL-QGZVFWFLSA-N 425.489 2.418 30 10 IEEE COc1ccc(C(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)Cc1cc(C)no1 1472338815 HLVRHNWYCIGCHK-UHFFFAOYSA-N 433.486 2.016 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CC2)o1 1472398669 BTNQXEHMEITSGY-VQFNDLOPSA-N 429.521 2.395 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCS1 1499783352 ROLYVTJALQNWLK-SJLPKXTDSA-N 426.546 2.339 30 10 IEEE CCC[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1501355290 ZTCCEEYCTLBYBX-WOJBJXKFSA-N 449.559 2.351 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1)OC 1504594680 HMSZHACOCCLORI-NZQKXSOJSA-N 441.532 2.397 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1504814629 AITUKADEYUEOSS-FQEVSTJZSA-N 449.563 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1COc2ccccc2O1 1507661071 LWRJOVQHJHZTIW-YADARESESA-N 436.512 2.233 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1507935467 QEYPATKVMCLNCQ-FXAWDEMLSA-N 436.582 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)N(C)CC)C1 1508122711 GBAWXIDAZZIDAG-VQIMIIECSA-N 427.505 2.050 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)OC2CCCC2)CC1 1508279925 SDJKOIXIDZVRQG-UHFFFAOYSA-N 437.548 2.291 30 10 IEEE CC(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1508397539 FPSFEYXCXWROND-YADHBBJMSA-N 446.559 2.410 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CC1 1508644498 GJZBOALDMOTGNZ-IRXDYDNUSA-N 432.525 2.115 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1509937185 AAZHFLZWHGBZMG-DLBZAZTESA-N 448.535 2.066 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N(C)C 1509951293 GGCJFWFAKRLJLO-OAHLLOKOSA-N 443.533 2.230 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCCO2)C1 1510289956 GAPKFYIOCUJTHZ-XMSQKQJNSA-N 430.553 2.116 30 10 IEEE CN(C)CCOCCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517024067 VIVCASHTEHQRQQ-UHFFFAOYSA-N 433.516 2.058 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCCCCO)cc1 1521101841 JOKMJIOXLRDPCB-PMACEKPBSA-N 438.532 2.139 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1539153994 LRWSUEGITDIOBD-IBGZPJMESA-N 443.495 2.160 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(=O)NCC 1539320026 MLGBOYRKBVOCKM-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1539391161 ADPYHTZJUCHCKZ-RTBURBONSA-N 446.548 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1539441448 PHJYINQAHNGACU-NRFANRHFSA-N 447.587 2.073 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539515035 WJDHTMNCHWHQNM-QGZVFWFLSA-N 429.546 2.442 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1)C1CC1 1540107916 FWVFZEFXEUFBNF-IRXDYDNUSA-N 441.623 2.052 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H]1CCCOC1 1540866502 PCJCITLGXDNKPM-MRXNPFEDSA-N 429.521 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](OCC2CC2)C1 1540901136 UGTJNTSMSOHXLB-IBGZPJMESA-N 431.562 2.336 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCOCc1ccccc1 1541678766 INUZLAFXTCVDFY-IBGZPJMESA-N 426.521 2.142 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 1543912150 WXCPSGRFOHBAMR-UHFFFAOYSA-N 439.942 2.341 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C#N)CC1 1546394443 MPGZCZQTPPTQNM-OAHLLOKOSA-N 431.541 2.095 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@]1(C)CN(C)C1=O 1548134844 ZICDZSOKHHTARO-HSZRJFAPSA-N 438.532 2.212 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1548336466 YKRDSBSLSJMDBC-APWZRJJASA-N 446.577 2.007 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1554461911 UIIARUQPKVWREH-GOSISDBHSA-N 432.532 2.238 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1555420690 FNNRTNDSEHPHQV-XMMPIXPASA-N 447.543 2.326 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CN4CCOCC4)C3)C2)C1 1556330954 OBBXVTVNTZZDPH-FKOHWTJXSA-N 446.592 2.344 30 10 IEEE C[C@@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H]1CCNC(=O)OC(C)(C)C 1557353336 VNCZTIGSCXRULB-SBOQUQFBSA-N 434.537 2.445 30 10 IEEE N#Cc1cn(CC(=O)NCc2c(Cl)cc(Br)cc2Cl)c(=O)nc1O 1558519130 NWFCQCFZAJTMCB-UHFFFAOYSA-N 432.061 2.206 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)C1 1560140369 OIHNQJXOYXKYNG-NRFANRHFSA-N 435.546 2.044 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1cccc(OCCN2CCOCC2)c1 1561169017 CIKOCCBMELSKLB-UHFFFAOYSA-N 433.505 2.195 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)C(=O)OC 1568154610 MJXWABYNWDAVDQ-KRWDZBQOSA-N 434.489 2.290 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC(C)C)nc1 1587975136 OZGYLQAWMMPVSI-UHFFFAOYSA-N 443.511 2.492 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1588054483 NQOIEMSZNYDBQV-WMLDXEAASA-N 449.602 2.385 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(C)CCCO2)n1 1588723364 LVPWQPLCHJLRHL-DENIHFKCSA-N 428.537 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCc2cn[nH]c2)CC1 1588961876 PQDYWAHRTVVNHD-UHFFFAOYSA-N 447.543 2.097 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1588968316 HZRGJUFWERAYEQ-UHFFFAOYSA-N 443.499 2.171 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1595506476 BCORZKXWBRWXKJ-YWZLYKJASA-N 441.532 2.268 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595905420 JZOMETKABOYLEL-WDSOQIARSA-N 432.594 2.098 30 10 IEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1609889352 GMEWDJLNVUTMQQ-KRWDZBQOSA-N 426.521 2.259 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 1615208545 CNNQGFXXVKMHBV-UHFFFAOYSA-N 445.317 2.001 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C#N)CC1 1615838388 LDMFOCSGIOPCKF-MSOLQXFVSA-N 440.552 2.475 30 10 IEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NC(=O)c5cccs5)CO[C@H]34)n2)c1 1616131112 DLIVVLNUFBBHMY-HNBVOPMISA-N 433.493 2.453 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1619702440 FAEYELHANCEELJ-AUSIDOKSSA-N 441.532 2.397 30 10 IEEE COCC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619800818 GZSMIUNOWIYSDQ-WXVFVKJXSA-N 436.516 2.334 30 10 IEEE COCCCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1619859612 JPTJORVHLFLEJE-HXUWFJFHSA-N 438.532 2.433 30 10 IEEE COC(=O)CC[C@@H]1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1633716497 DEAFHCKZSUOIFE-WMZOPIPTSA-N 449.573 2.332 30 10 IEEE C=CC[C@@]1(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)CCCN1C(=O)OC(C)(C)C 1635005865 FRFGAPVXSCRQRW-JPYJTQIMSA-N 434.581 2.144 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(N3CCCNC3=O)CC2)C1 1636825546 DNXANXSHIAFVSM-UHFFFAOYSA-N 446.349 2.163 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3ncccc3N3CCC[C@H]3C2)ccc1F 1640219550 SQGLEBGUEBCXFY-INIZCTEOSA-N 430.505 2.310 30 10 IEEE CC1(C)CC[C@@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)N(C(=O)OC(C)(C)C)C1 1643639332 KBALRUDJOROZGW-IJYGLTAASA-N 434.537 2.445 30 10 IEEE CCN(C(=O)c1cc(C#N)ccn1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1645523080 PMBOBDBYXYBTCG-MRXNPFEDSA-N 429.521 2.273 30 10 IEEE CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1648005151 LQNNPPHEXLWUTJ-UHFFFAOYSA-N 431.533 2.378 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc(-c2cccnc2Cl)ns1 1651101054 MUXZSUCHGMAGGK-UHFFFAOYSA-N 448.917 2.321 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1651802519 XJWIWFXJRRZZKG-QGZVFWFLSA-N 435.546 2.070 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1 1656283385 BWEBAJQYXFXNLP-GOSISDBHSA-N 448.575 2.405 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1661916164 XUJCHEKFKVCADO-SFHVURJKSA-N 444.550 2.116 30 10 IEEE COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1686054963 FFAMVCPGKRZFFP-ZWKOTPCHSA-N 428.489 2.300 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nncn2C)CC1 1690132041 FFCNTTNWZPSQPL-UHFFFAOYSA-N 448.575 2.221 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1690578130 RBAXBZMNTNSACT-SJLPKXTDSA-N 430.578 2.204 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1 1690661119 VEMFTRLQEIFHSL-OAQYLSRUSA-N 438.576 2.475 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1690676856 GQRUDJGOXGDLNL-QMHKHESXSA-N 443.523 2.495 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C 1690677365 VNJQUQLMRRBPQS-UHFFFAOYSA-N 444.967 2.494 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1692578028 BSXILUOCDNWQMV-JJEOQYAHSA-N 444.580 2.363 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H](C)S1 1693830033 CISJWICDCCPPEP-YQQAZPJKSA-N 426.546 2.338 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1695014676 DLXUBBIYQQOELA-UHFFFAOYSA-N 437.548 2.180 30 10 IEEE CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C#N)CC1 1696426185 LSDGLASJMGZJDQ-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOCC1(C)C 1698130015 PZTNRNRYVDHKFR-GOSISDBHSA-N 434.585 2.243 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1705477499 OUNJAPWMINMNPJ-HZPDHXFCSA-N 437.541 2.343 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1705490547 MLIXJZBDBLNIOI-VOIUYBSRSA-N 447.543 2.172 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1705550910 BDFYAOUNTWMGSM-MSOLQXFVSA-N 431.562 2.070 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1705658182 HGQGVWZIVPEEOB-QGZVFWFLSA-N 436.541 2.497 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1705741103 GILNFRKIVWNCOW-UHFFFAOYSA-N 431.500 2.341 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705819414 KVFCAJDEOAMRGK-GOSISDBHSA-N 437.610 2.230 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1705880337 BWAAWKGZVBMQPO-KRWDZBQOSA-N 444.561 2.332 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705908566 CYTUBOIKSMYGIW-PNYFIKQUSA-N 431.581 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1705938552 BVILYVFPLHBLHX-ZWOKBUDYSA-N 426.583 2.154 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705941173 AYAWNUJNWABTBT-HNNXBMFYSA-N 433.969 2.469 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCC(F)(F)C(F)F 1707909649 ZITUXIUEWUONOU-UHFFFAOYSA-N 427.406 2.097 30 10 IEEE CCCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709610048 QBNJDJSXKQYSKX-LJQANCHMSA-N 425.537 2.396 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C)[C@H]1CCOC1 1711045722 KHGFJBQWFSYKOU-IBGZPJMESA-N 440.548 2.065 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722357109 ZVTIBDURGDCGLS-RTWAWAEBSA-N 441.601 2.337 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722359677 AAKPEYYGZNNWKD-ICSRJNTNSA-N 439.541 2.288 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1722426029 VSJNTHDVLXQNDN-PGRDOPGGSA-N 437.544 2.488 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(C2CC2)C1 1723886048 HJOOAUYHRREVEA-SJLPKXTDSA-N 442.589 2.170 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1728202086 VMNLDJRKDCIBGV-FQEVSTJZSA-N 447.547 2.393 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC[C@H]1C 1730405277 KHECJWMRQGAEBJ-VQIMIIECSA-N 426.521 2.068 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1730804950 AVRJBEUMMFEIGL-SJORKVTESA-N 449.515 2.221 30 10 IEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1731091362 AHYDWHHQXDBXRY-GCJKJVERSA-N 442.589 2.127 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC=CO2)c1 1740562638 MDQSYJMGOVKTFD-HXUWFJFHSA-N 431.500 2.428 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOC2CCCCC2)CC1 1740692097 DWAJNWOEWMUMLG-DEOSSOPVSA-N 445.608 2.425 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740756331 GTIYKLREWBGZPJ-UHOSZYNNSA-N 443.552 2.375 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740841098 QXBDHTAUMZNKGN-UHFFFAOYSA-N 436.603 2.273 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740842666 HVUQMNMJMRWFLH-CVEARBPZSA-N 425.599 2.374 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2sccc2C)C1 1740973597 ZVGNTPPNVWQWEW-JKSUJKDBSA-N 439.607 2.282 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)C1 1740982856 XQPROKUODHUHAF-IRXDYDNUSA-N 437.541 2.014 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1741286620 BXYMUZCDYBVJAW-JOCHJYFZSA-N 439.495 2.333 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1741694650 GSNRPZGAEQCAGL-SFHVURJKSA-N 432.532 2.237 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1741869129 VFCYCRNEXQUYPT-SFHVURJKSA-N 444.605 2.420 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1743395164 MLHRFXXKUUAUGG-OFGXNVERSA-N 427.534 2.130 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCc1cnc2c(Cl)cnn2c1 1748641013 CJYNEHZXJPLHIX-GJZGRUSLSA-N 431.928 2.399 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCC1 1748647135 JFXBPYPFGOXXFM-QGZVFWFLSA-N 443.621 2.490 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1748667421 UCNBAZPTNMRNCH-ULQDDVLXSA-N 442.564 2.352 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748821271 NYJYHMYCAUAOGO-LJQANCHMSA-N 446.621 2.449 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@@H]1NC(=O)NC1=O 1748922556 CNIMVKBKJJYBCI-INIZCTEOSA-N 433.472 2.048 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)cc(OC)c2)CC1 1749001059 FXMVHORGOXFICV-UNMCSNQZSA-N 439.560 2.123 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749037783 ITQGRQDINLSQEJ-QKLQHJQFSA-N 444.557 2.397 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1749038318 JWQXTQONEQBHCB-CYBMUJFWSA-N 445.408 2.036 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749229662 NQSXGBLXVCYAFW-FQEVSTJZSA-N 441.580 2.498 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1749415002 LWTJXLPETLUFGV-SFHVURJKSA-N 431.562 2.420 30 10 IEEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1749515274 UWJJWDLZLSXLDF-KRWDZBQOSA-N 426.546 2.253 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749752223 LTCBSQDYOQDOGA-SFHVURJKSA-N 426.550 2.449 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760191641 LDBBFXLCJGQFMZ-UYAOXDASSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)noc1C 1760213260 WLIHZFFVOJORQU-UHFFFAOYSA-N 437.525 2.465 30 10 IEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1760339437 IJHYXCWLOUIUIG-UHFFFAOYSA-N 449.607 2.222 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760364923 GWOSXIRKGKTZON-HDICACEKSA-N 438.020 2.164 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760438861 PJOAJORRIYWRGM-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1)C1CC1 1760470374 PEUNDXHLSOKKGH-UHFFFAOYSA-N 425.537 2.191 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)NC)CC1 1760518805 HPHUDKYBGXHQAZ-UHFFFAOYSA-N 430.940 2.253 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)N2CCCC2)C1 1760533016 ABPAQTYSCZTGJU-PMACEKPBSA-N 430.597 2.416 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCSC1 1763758579 CKDHBQVZNHPOEZ-CKJXQJPGSA-N 442.593 2.036 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1snnc1C 1766646738 BBGSKJIXLIJIOQ-ZDUSSCGKSA-N 445.574 2.284 30 10 IEEE CN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1767128529 ICOWZDCEYFKZLZ-FQEVSTJZSA-N 443.554 2.064 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)C2)CC1 1767141547 WOKUYDDVSXPFSZ-QFIPXVFZSA-N 437.592 2.196 30 10 IEEE CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1)[C@H]1CCOC1 1768537243 XXQCSUZXUGKLEP-HNNXBMFYSA-N 427.486 2.087 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)C1 1771151701 BKQQAYMYNYARPX-SQGPQFPESA-N 440.548 2.219 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1C#N 1851416496 DXBUMVAEKQELJC-UONOGXRCSA-N 425.411 2.005 30 10 IEEE COc1cccc(N2C[C@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)c1 1852746310 WNTBTWBKWZBIEG-GFCCVEGCSA-N 447.435 2.309 30 10 IEEE CCN1CCC(CN(Cc2cn(Cc3ccccc3)nn2)C(=O)c2cnc(C#N)nc2)CC1 1853421347 DLSAWAQQRSAXND-UHFFFAOYSA-N 444.543 2.362 30 10 IEEE N#Cc1cc(C(=O)N2C(=O)CN(S(=O)(=O)CCC(F)(F)F)c3ccccc32)ccn1 1854159259 ZKBZJXRJXYJNPB-UHFFFAOYSA-N 438.387 2.229 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854645900 UMUCHVATVDJBSK-AWEZNQCLSA-N 431.901 2.202 30 10 IEEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1855163576 URHFQJPWSZKQBW-MSOLQXFVSA-N 430.574 2.396 30 10 IEEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855463991 XUEGAOZVMHZNAQ-IEBWSBKVSA-N 433.574 2.356 30 10 IEEE COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855689139 ALQPHPYEVYIQCV-JKSUJKDBSA-N 425.466 2.032 30 10 IEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c(=O)cc1C(=O)O 1857890064 GRATVGRBWQDESA-LLVKDONJSA-N 445.497 2.035 30 10 IEEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)N=c2[nH]nc([C@@H]3CCCO3)s2)CC1 1860629181 WKJMEIUBXFPWKK-OALUTQOASA-N 444.557 2.499 30 10 IEEE CCCCCCCCNC(=O)CNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861495563 FFXIGQIOGLELHX-UHFFFAOYSA-N 437.537 2.035 30 10 IEEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1cc(O)c2cccc(I)c2n1 1866526597 BYSGMUNMMBJLTN-SECBINFHSA-N 439.209 2.374 30 10 IEEE C[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1866623803 WWYISLHAZPTWAC-HNNXBMFYSA-N 426.498 2.245 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866731 JXDYFMBEKNVLHV-RTBURBONSA-N 437.525 2.012 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)c1 1870144115 OJCVVAPHELBSJW-UHFFFAOYSA-N 444.451 2.471 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c(=O)cc1CN(C)CCO 1870698298 JECOVZBODGWSRZ-UHFFFAOYSA-N 439.434 2.495 30 10 IEEE COCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874470264 WHQSCMQGRZNGFD-CIAFOILYSA-N 427.486 2.491 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1985991383 NTRGRUTVJBMNJJ-ZUOKHONESA-N 427.498 2.036 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2052659219 VTQAYUPKZUXDJG-OIISXLGYSA-N 436.358 2.333 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622027 UTBGSMODGXJIOG-YHUYYLMFSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C[C@H](CO)C1 2073616378 BMJBVFHOXUEBTR-FVUUGDKNSA-N 436.358 2.442 30 10 IEEE C=CCn1ncc(NC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162287906 KYHFRPSNOUCDFD-CYBMUJFWSA-N 443.342 2.487 30 10 IEEE C=CCn1ncc(NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2201302751 LCMUAJBJNAARCW-SFHVURJKSA-N 443.342 2.366 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216465018 ZPIYSQYKGFMZHE-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2COC[C@@H]21 2224118755 BATZDMAIKOAIBH-IRXDYDNUSA-N 431.342 2.205 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)C1 2247549685 MYOQZWLHLNGGIA-BXFSZVDSSA-N 437.537 2.045 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C1CCC1 2247880722 KICCMJTZSAJUNF-UHFFFAOYSA-N 431.367 2.463 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2247920889 FUWJDRFKAHYTHN-HZPDHXFCSA-N 425.363 2.303 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254802885 YRAJXFXWYWQXGW-XOYOTBSWSA-N 431.342 2.473 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255699768 RZRAMGQLCNBFDW-IVZQSRNASA-N 429.326 2.120 30 10 IEEE C[C@H]1Cn2[nH]c(=NC(=O)C#CB3OC(C)(C)C(C)(C)O3)cc2CN1C(=O)OC(C)(C)C 2255857124 FURKWPOMLLFTRQ-AWEZNQCLSA-N 430.314 2.018 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCCC[C@@H]21 2260018654 YOWKZORUSORYTD-PONJGIIJSA-N 434.342 2.200 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267266089 NFHIGCQWFZAEBS-ZVZYQTTQSA-N 443.353 2.366 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2267498042 RESKWNLTYAWATO-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2267596652 PPDKQWRVHNLQHC-IBGZPJMESA-N 437.349 2.012 30 10 IEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267608307 VPNOCQMKXOUBOO-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267756452 SXUZKMDQMBHVJQ-ZDUSSCGKSA-N 448.325 2.136 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268611898 COIXFSWUQOLJJD-GOSISDBHSA-N 448.369 2.484 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268710452 HVCBOHCUSVPSAO-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC(=NO)c1ccc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)nc1 2283596840 SXKFKSZDFQCSAZ-UHFFFAOYSA-N 430.486 2.488 30 10 IEEE COc1ccc(OC)c([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)c1 2296609558 YTJKWDBXXUPMNZ-FQEVSTJZSA-N 442.516 2.417 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCc3nc(C)no3)C(=O)[C@@]12C 2297591237 NRQSVNNCRWPPDT-QFIPXVFZSA-N 439.424 2.050 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2327382099 LMWYDWGOAPHLKE-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)c1ccccc1)c1ccc(O)cc1 2327754004 MMVXIKIRVKWRMI-QGZVFWFLSA-N 434.456 2.111 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cccn1C 2330733870 YOWSNDLPCUMWMU-UHFFFAOYSA-N 425.518 2.174 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccn1C 2330735988 RIUYBWNKZKOOCT-UHFFFAOYSA-N 439.545 2.483 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCCC#CCO 2343621510 SUVQRWMBVGLLDT-INIZCTEOSA-N 425.323 2.387 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343635369 GFALMTRZMPSVEL-IRXDYDNUSA-N 449.332 2.410 30 10 IEEE C#CCOC1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364169538 XRYRFQNZHGQZAF-UHFFFAOYSA-N 432.542 2.287 30 10 IEEE COc1ccccc1CNC(=O)CSc1nnc(N/N=C/c2ccc(C)cc2)n1N 20917263 RVYTXZMWJMZWLY-FOKLQQMPSA-N 425.518 2.163 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)CC1 65234484 HIIYNSZOBPRZSV-UHFFFAOYSA-N 439.585 2.232 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)c1OC 102752122 SNRROIZPINBLII-VZCCSQPZSA-N 428.489 2.027 30 10 IEEE C[C@@H](/C(N)=N/O)N(C)C(=O)c1cc(Br)ccc1I 235472632 PMGXFKMTCVWYRH-LURJTMIESA-N 426.052 2.261 30 10 IEEE COc1ccccc1CN1C(=NC(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 254449959 QDAWNXMJVRJHHS-HKUYNNGSSA-N 446.550 2.371 30 10 IEEE CCO[C@H]1C[C@@](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)(C(=O)OC)C1(C)C 440850543 SYCQBWFYNLYTDB-LAUBAEHRSA-N 436.530 2.241 30 10 IEEE COc1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC(F)F 464823873 SESDFYXZARGLLY-ZDUSSCGKSA-N 432.431 2.379 30 10 IEEE C=CCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 468399457 KYALZUCQEPLCRD-UHFFFAOYSA-N 427.954 2.036 30 10 IEEE COc1ccc(Cl)cc1NC(=O)CCNC(=O)N1CCN(c2ncccc2C#N)CC1 476451651 ZLTDXBKDRBSBMT-UHFFFAOYSA-N 442.907 2.476 30 10 IEEE CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cs1 482450134 LUWLFKSYNAGOMQ-KBPBESRZSA-N 436.559 2.438 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CC1 487273048 SFNCYYYHPRXUAR-SJBKTWHCSA-N 436.537 2.160 30 10 IEEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C1 506332181 MJKBYLGBYRMRES-IEGUWTFLSA-N 434.581 2.087 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCC2(CCCCC2)CC1 508285666 CIYMMGMCVJPWKF-GOSISDBHSA-N 432.590 2.388 30 10 IEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(Cc2nc(C)no2)CC1 508480259 DXLKMBBXLFBSTI-UHFFFAOYSA-N 425.493 2.065 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cccc(Br)c1Cl 515565802 RVHRNZZMLWKALE-UHFFFAOYSA-N 446.714 2.335 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)ccc1F 521525862 VXZGIJCACZLEHV-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE CCc1cnccc1[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 539143804 UHRRQCWIQVWDGW-INIZCTEOSA-N 427.530 2.293 30 10 IEEE CC(C)(CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)N1CCS(=O)CC1 542957174 KHYBIBSASBHCPT-UHFFFAOYSA-N 434.953 2.362 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CC1 557899124 ICBUHXHVWXKICE-UHFFFAOYSA-N 427.480 2.142 30 10 IEEE COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 558083159 JQIJQYZAUQYDRK-UHFFFAOYSA-N 449.920 2.085 30 10 IEEE CN(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 574707086 KDDSPNLJOAIRNF-SFHVURJKSA-N 438.532 2.070 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(Cc2ccccc2)c1=O 671654051 FDLTXFOAZAWLKH-UHFFFAOYSA-N 432.549 2.262 30 10 IEEE CCN[C@@H](C#N)[C@@H](C)n1cnc(I)c1I 699290854 MJJDWDUHKANASR-RQJHMYQMSA-N 430.031 2.155 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(O)cc1 727538361 FSEDRCQDOAFDEV-HNNXBMFYSA-N 425.441 2.009 30 10 IEEE N#C[C@H]1CN(Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)CCN1C1CC1 732672794 NDSHJWASYVUCMA-IBGZPJMESA-N 443.552 2.009 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCN(S(=O)(=O)c2ccccc2)CC1 739840629 LCRCOLXKROTRNW-UHFFFAOYSA-N 436.541 2.479 30 10 IEEE C[C@@H](CC(=O)NCc1ccc(F)c(CN(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 742680653 VEVWRZXFCLUBIO-AWEZNQCLSA-N 432.521 2.021 30 10 IEEE N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 746574807 RCDNFHCLFSXBKB-HXUWFJFHSA-N 437.471 2.338 30 10 IEEE COc1ccc(CNC(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)cc1C#N 747273910 FJNGSFPEQNPFGR-UHFFFAOYSA-N 437.500 2.285 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 750051330 WLTPWMPONICWCQ-UHFFFAOYSA-N 426.542 2.320 30 10 IEEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 751727518 INHMHGRCQMYVGL-UHFFFAOYSA-N 444.513 2.257 30 10 IEEE Cn1c(=O)sc2cc(/C=C/C(=O)c3ccc(S(=O)(=O)NCCC(=O)O)cc3)ccc21 756629959 BGLOPFAARZOOLK-YCRREMRBSA-N 446.506 2.249 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N(C)C)ccc2c1=O 757916255 ORAZVNQNQHVISX-LJQANCHMSA-N 436.537 2.301 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCc2c(F)cc(Br)cc2C1 759578450 GAETXYZLHIMJIR-WUKNDPDISA-N 437.269 2.182 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 764995759 UZUUXZOQWGKXIL-UHFFFAOYSA-N 448.544 2.371 30 10 IEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCCc2cccc3cccnc23)C1=O 768516398 BUZBVSLCZKHELY-XMMPIXPASA-N 427.464 2.232 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC[C@@H]2CCOC2)C1=O 784127945 MYNXRVBZRPZDCB-CRAIPNDOSA-N 436.553 2.252 30 10 IEEE C#CCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 784129112 SPKSBXVIFLPNDR-MRXNPFEDSA-N 427.461 2.226 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)c(F)c3)c2C)nn1 786566454 ZQYCHJADISPPMJ-CQSZACIVSA-N 440.410 2.287 30 10 IEEE C=CCN1CCC(NC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 804675216 OJZUMYKCBFKRTH-LJQANCHMSA-N 430.549 2.135 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 812186184 MTJRTMUQDVGYMV-MSOLQXFVSA-N 448.568 2.268 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2CCOC3(C2)CN(C(=O)OC(C)(C)C)C3)c(OC)c1 814665606 ZWLSHIISPOHTMV-IBGZPJMESA-N 448.560 2.485 30 10 IEEE CCc1ccccc1-n1cnnc1SCC(=O)NS(=O)(=O)Cc1ccccc1C#N 916178089 JAXHMGJLOYEPAN-UHFFFAOYSA-N 441.538 2.440 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cn(-c3ccccc3Br)nn2)cc1 916778260 VRXFRNZNCRTETB-UHFFFAOYSA-N 446.286 2.161 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCNC3=O)cc2)c(C(F)(F)F)c1 918535436 FTKMDNQSLMPRGW-UHFFFAOYSA-N 438.387 2.225 30 10 IEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc(OC)c1 1084493749 HGCSKVWDNNJAEF-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2cccc(F)c2)N(C)C)s1 1135925995 ABYIAFFRYADGSS-QGZVFWFLSA-N 425.551 2.313 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)cn1 1140724051 RAUIGSMWPRNZTN-SFHVURJKSA-N 433.468 2.498 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 1141804293 OZJMPMSHHVWGCB-SJLPKXTDSA-N 449.573 2.221 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](O)COc3cccc(F)c3)C2)C1 1150090709 SLZGZPIIFYOUOL-CCECRFFPSA-N 447.507 2.468 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)ccc1F 1150472481 KLZFTDWJMYXEAV-LJQANCHMSA-N 433.505 2.085 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 1152967480 IMTIFYCMRLAXCP-UHFFFAOYSA-N 446.579 2.250 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)n1 1156618221 LQXBMYCKYJJYLG-HXUWFJFHSA-N 426.542 2.479 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3COC)cc2C1=O 1158993233 JFUSWHRLCBYKAK-MRXNPFEDSA-N 443.500 2.177 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOc3cc(C(=O)OC)ccc3C2)c1 1159033621 KVTGLPBZOFYOTB-UHFFFAOYSA-N 427.478 2.305 30 10 IEEE CCS(=O)(=O)N1CCc2cc(C(=O)Cn3cc4c(c(C#N)c3=O)CCCC4)ccc21 1166246225 CRKQKPZTAYLUNN-UHFFFAOYSA-N 425.510 2.194 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1 1167477301 HHZDOYGBHVEDDS-UHFFFAOYSA-N 437.504 2.356 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OCC 1171440198 QXNSXKGYKNKBCX-WCQYABFASA-N 426.926 2.252 30 10 IEEE Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)cc1 1174831788 IMKUJKBJVHPTDX-HXUWFJFHSA-N 426.542 2.191 30 10 IEEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 1190993791 CTSGZUCJDYQQGJ-PZJWPPBQSA-N 429.561 2.232 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)CC1 1233920447 FJWUCEHYKGHSHM-UHFFFAOYSA-N 448.321 2.436 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1248374563 CFKBHESGMDAPIY-LEWJYISDSA-N 440.544 2.324 30 10 IEEE COc1cc(OC)c2c(c1)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCC2 1279284854 FOXFJQDPAWDQSZ-UHFFFAOYSA-N 429.498 2.489 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1286359302 BNPWCJKNGYDVIG-SFHVURJKSA-N 430.553 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1occc1C 1286401601 OZXBOMZWICEHON-UHFFFAOYSA-N 437.525 2.218 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1CCCO 1286519126 RKMQMOAQYPSIJB-ZTCOLXNVSA-N 445.608 2.158 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1286522045 FXJBUTVSVAXEHJ-GHTZIAJQSA-N 435.594 2.183 30 10 IEEE C=C(Br)Cn1c(N2CCN(c3ccc4nncn4n3)CC2)nnc1C(C)(C)C 1286546946 CLPDMUXGRLNMIU-UHFFFAOYSA-N 446.357 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286548921 UTRDTAJWALVMDX-QYZOEREBSA-N 446.596 2.140 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)OC)C1 1286552362 MBIXLXSZDXDHJC-YRXWBPOGSA-N 436.553 2.373 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC1CC1 1286553417 DPUWJUJGMPTDBP-QYZOEREBSA-N 438.594 2.024 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286556490 CNMZXQBJSOMKDW-SIKLNZKXSA-N 432.613 2.104 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286671903 BIXFGKGDQOMFIH-DLBZAZTESA-N 449.621 2.278 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286697532 PLCZOUXDBCWDQI-IBGZPJMESA-N 425.581 2.383 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1nc2cc(OC)ccc2n1C 1286768314 YLVJQCHKGRXPCG-UHFFFAOYSA-N 434.504 2.318 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)OC 1293991124 GOVPDPKSVAWCLD-APWZRJJASA-N 426.521 2.211 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1294335501 CTMWSEKPZNMAIO-FQEVSTJZSA-N 447.547 2.241 30 10 IEEE CN(C)CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cc1 1298084403 GNFCFMCJQDGKKL-QFIPXVFZSA-N 438.511 2.109 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1298943668 JCIQEBPHJQKURW-HZPDHXFCSA-N 426.521 2.115 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300493482 UZMJSXLSTLXCFN-MSOLQXFVSA-N 430.578 2.132 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOCC(F)F)CC1 1300690793 JJEFXAVZJRZVIW-UHFFFAOYSA-N 447.486 2.143 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)CC1 1301066984 VIKMUXBWLIGWHO-KRWDZBQOSA-N 444.605 2.475 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNS(=O)(=O)CC)CC1 1301072771 QSJNGSXYYWBWKN-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1301351383 RIUUFMGGDRVYME-LJQANCHMSA-N 443.523 2.363 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301610346 WQZMGEZSNYGPAM-INIZCTEOSA-N 446.537 2.095 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)NC(C)(C)C 1302276298 ACDZPAYPWLCTDG-WMZOPIPTSA-N 432.569 2.437 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)CSc3ccc(C#N)cc3)C2)nn1 1303019213 RVTJPJALVTZLHD-UHFFFAOYSA-N 428.518 2.350 30 10 IEEE O=C([C@H](c1cccc(F)c1)N1CCOCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892309 CSLOEYRQMBWXFC-FQEVSTJZSA-N 441.459 2.103 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2c3cc(F)ccc3OC[C@@H]2CCO)CC1 1307892320 HVXVPLYTZXUFRS-HKUYNNGSSA-N 444.532 2.246 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)n(-c2cccc(F)c2)c1C 1308120459 JWBWTZLTEHZWJV-IYBDPMFKSA-N 430.505 2.020 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O 1311328871 WDJNBPKMIUCOLX-HNNXBMFYSA-N 435.531 2.195 30 10 IEEE COCCN(CCC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312468231 CFFWPSPVSMDBDV-JKSUJKDBSA-N 440.541 2.135 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1315566351 HDUKTIYNCPXPAL-LVCYWYKZSA-N 440.548 2.182 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1315771437 XRVPITVGQKQKMW-HSZRJFAPSA-N 441.532 2.397 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(C)cn1 1316101078 GNAWVHPHGOIQRD-UHFFFAOYSA-N 447.503 2.166 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)ccc1F 1341114548 ZUUVNMKGBXXIOR-MRXNPFEDSA-N 444.528 2.355 30 10 IEEE Cc1nc2sccc2c(=O)n1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1351511400 CPXYJZNXNXQPPP-GFCCVEGCSA-N 427.873 2.415 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1358884121 JAHGEQQMAWOCHX-OALUTQOASA-N 447.543 2.084 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1358936152 FDDKFBDYUXVDNU-JOCHJYFZSA-N 433.553 2.401 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1358979564 QLLSEVMNWGVRIA-HXUWFJFHSA-N 442.541 2.078 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)COC)CC1 1359033100 PUCITHAPGQNMDS-UHFFFAOYSA-N 427.549 2.390 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2)CC1 1359038359 TWCOHXCYFFLHLA-UHFFFAOYSA-N 438.601 2.089 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359140626 HPULOZHBOQDROO-IBGZPJMESA-N 444.967 2.122 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1359239978 CGNPYIFEDQAWPG-SFHVURJKSA-N 426.546 2.231 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359311366 YVLIBWQDLGZCFN-FQEVSTJZSA-N 438.576 2.196 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2OC)C1 1359319151 TYGAPIRWJLYVFS-MRXNPFEDSA-N 425.537 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccco1 1359327319 YOYZWNBAPQUBKU-MRXNPFEDSA-N 433.534 2.049 30 10 IEEE CC(C)COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1360065978 DMZCCRIEWVUYCX-LPHOPBHVSA-N 426.587 2.081 30 10 IEEE C#CCN(C(=O)[C@H](C)c1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 1435067891 BNNCBEFCGJCQFL-DOMZBBRYSA-N 431.295 2.044 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(OC)c1OC 1442583359 NQHYFNWPPLYCJN-MRXNPFEDSA-N 447.444 2.143 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)C)c1 1450222831 DJMWOAHBMKMJSB-FQEVSTJZSA-N 446.525 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1451650106 WOYHSRUZQCIMNE-UHFFFAOYSA-N 444.532 2.202 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)c1 1453870138 KDKYQKNWXGKEPF-NRFANRHFSA-N 442.537 2.224 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)c2cccc(C#N)c2)cc1 1461516167 QSXIPBRBUQBNDV-UHFFFAOYSA-N 428.514 2.189 30 10 IEEE N#Cc1cc(CNS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)ccn1 1475790665 FKZDXNPHUQDSKP-MOPGFXCFSA-N 428.514 2.468 30 10 IEEE COC[C@@H](F)Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504607274 JQXPXZFEKFUAJN-WMZOPIPTSA-N 442.543 2.372 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507596830 PSBHPXLOFGLGIU-VAMGGRTRSA-N 443.592 2.438 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507629546 NPJHMXJAXGWNOR-GOSISDBHSA-N 441.532 2.292 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CSCCS2)CC1 1507737069 YVEZNPQKLJPOJR-QGZVFWFLSA-N 444.630 2.098 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1)C1CC1 1507987488 DLMBZEVZRBLCGP-AWEZNQCLSA-N 432.550 2.050 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CN(C)C1=O 1507999341 ZCHPMSXUXKLSDT-QHCPKHFHSA-N 435.532 2.358 30 10 IEEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1515246818 JGPGTUQRLRCINX-CMJOXMDJSA-N 434.500 2.076 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1517042107 LNEIZROHOXNCDO-QZTJIDSGSA-N 429.546 2.113 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1521063706 USXXWCUYSFTTAQ-HSZRJFAPSA-N 449.490 2.232 30 10 IEEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)s1 1525886597 BDSATXXXXIHDIM-UHFFFAOYSA-N 447.538 2.108 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1535343848 ITVIFZPFLMQTRG-KRWDZBQOSA-N 438.569 2.496 30 10 IEEE C=C(C)C[C@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)C(=O)OC 1535347143 PKVCNZNHZWRSJZ-INIZCTEOSA-N 435.525 2.396 30 10 IEEE C=CCOCCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1538818649 SGHZHUMIXKIZPA-INIZCTEOSA-N 428.270 2.274 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539101764 HTQVVRRDSSJKIE-HXUWFJFHSA-N 441.557 2.260 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539142833 VXLMXUMXNPFRML-FPOVZHCZSA-N 435.532 2.009 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1539218914 AJSKUYAVOMNHTE-MSOLQXFVSA-N 434.587 2.103 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C1CC1)N(C)C 1539241951 KXAHDZROLJXLGH-SFHVURJKSA-N 429.366 2.459 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCC)nc1 1539260647 SPWVTZPWHUFHTC-UHFFFAOYSA-N 432.484 2.311 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@@H]1C 1539300785 HZQTUJOWZFRYIC-QRWLVFNGSA-N 446.349 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCOC[C@@H]1OC 1539332554 VLCVJDVBAIGSJM-FPOVZHCZSA-N 432.528 2.031 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](OC)C2CC2)CC1 1539427334 BAXZZJZMGVAGHL-OAQYLSRUSA-N 436.560 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC2CCOCC2)CC1 1539484174 FRNVCBVDYWQCSU-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)COC)CC1 1539489783 XQZZRZKPRQOZLG-IBGZPJMESA-N 439.560 2.414 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539504236 CALTVGPWTVSOAT-HNNXBMFYSA-N 439.994 2.373 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1540187718 VJVCIPIPFRFROF-HNNXBMFYSA-N 448.574 2.217 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CCO1 1541168501 BAJZOVIPHIBNRY-IBGZPJMESA-N 436.520 2.272 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1541533348 XIWPATWUCFEGNF-SFHVURJKSA-N 440.548 2.458 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCSC1 1555100932 BDEXDYNOZNCKGX-VQTJNVASSA-N 433.509 2.176 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC(F)F)CC2)cc1 1555990519 ZUXUHQJDTWGIRO-LJQANCHMSA-N 446.502 2.258 30 10 IEEE C#CCOc1ccccc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1567740915 JIFDVUVAAOBYQP-GJYPPUQNSA-N 448.541 2.307 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cnn(Cc2cc(F)ccc2Cl)c1)c1cc[nH]n1 1570562140 VIYGHBRLCOBVLP-UHFFFAOYSA-N 448.842 2.370 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)n1 1584419618 WYKPURXBXVEGDC-MNOVXSKESA-N 435.453 2.085 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588029288 FSMLPXYUBQTXDH-FHJLPGHOSA-N 442.585 2.252 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1588058812 CWVAEJUZHINOEU-QRWLVFNGSA-N 434.587 2.017 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCC[C@H]1CC 1588628329 GZZLOOLTGXRRLG-GOSISDBHSA-N 442.564 2.356 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C)n(C)c1=O 1588660344 VIALTBODXGYGRT-UHFFFAOYSA-N 435.528 2.019 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)COC)CC1 1588836070 DNCNPRMMCMLJFC-HXUWFJFHSA-N 425.533 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCC=C)CC1 1588899885 ZFXMKCJMMLJBBE-UHFFFAOYSA-N 432.528 2.375 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1594070456 GKZICJLMTYAWIH-KRWDZBQOSA-N 431.562 2.392 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1595308139 YEWFCZCFMSAVOI-MRXNPFEDSA-N 437.541 2.062 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595850761 SHAKYLQXODJIMQ-RDJZCZTQSA-N 428.518 2.487 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CN(C)C)Oc3ccccc32)s1 1596047372 NIZVLYRGTYMKCW-HNNXBMFYSA-N 435.571 2.111 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1596551769 HLXMJZMMMWOJKQ-SFHVURJKSA-N 449.596 2.296 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOCC(F)F)CCOC1 1610449287 YHOPKHGTFSYULP-MOPGFXCFSA-N 431.459 2.432 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)ccc1F 1618424417 KWJXVKHGFGJPOY-HXUWFJFHSA-N 441.525 2.419 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)CC1 1620353004 DDBRROVYWMTFIN-HNNXBMFYSA-N 431.447 2.056 30 10 IEEE CC(C)CSc1ccc(S(=O)(=O)NCC(=O)N(CC#N)C2CC2)cc1[N+](=O)[O-] 1625755210 NWAMYSBPURQJHD-UHFFFAOYSA-N 426.520 2.136 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)s1 1630325085 DXVBVXQHPKFLCP-ZDUSSCGKSA-N 431.580 2.127 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)c1 1630351125 FFKOKZDTVZNOEV-LNUHTHKGSA-N 426.498 2.313 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CCCS2(=O)=O)CC1 1633103315 AMMBQERGUOCEQF-IAGOWNOFSA-N 440.363 2.125 30 10 IEEE C#C[C@H](NC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1637128458 PFBXJGVFKXNCGH-FQEVSTJZSA-N 436.597 2.437 30 10 IEEE C#CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1638331218 NRCZDGKDJFSLCR-KRWDZBQOSA-N 439.553 2.123 30 10 IEEE O=C(Cc1cccc2ccccc12)NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651220543 BCAQBTNJTIJFLT-UHFFFAOYSA-N 445.475 2.403 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c1 1651629531 SNMQCLHCWCBDSK-XMMPIXPASA-N 430.464 2.272 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N=c2nc(C)[nH]n2-c2ccc(F)cc2C)c1 1652869927 NWSYEDYOUGAAAQ-UHFFFAOYSA-N 429.477 2.162 30 10 IEEE CN(C)[S@@](C)(=O)=NC(=O)CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655766456 CYLHZBDYSVCJOQ-JPZYUSJMSA-N 431.349 2.190 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@H](c3ccc(OC)c(OC)c3)C2)c1 1657420435 YZEDRYSDJCNWPR-NRFANRHFSA-N 446.525 2.382 30 10 IEEE C#CCCS(=O)(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1670211817 QDELEKYFYLQXPC-ZFWWWQNUSA-N 436.427 2.024 30 10 IEEE CC1(C)C[C@](C)(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C(=O)O1 1684790083 MYECOXDNXXPARG-NRFANRHFSA-N 428.468 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCc2ccccc2C1 1689998426 LRAJWUASHALXHW-HXUWFJFHSA-N 430.556 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCCN(CC)S(C)(=O)=O 1690007284 AGIUSZZZNHXWCJ-UHFFFAOYSA-N 433.965 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690044933 CQHFUXIYGJFXOA-JOCHJYFZSA-N 449.555 2.498 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1690085809 GPGYPWUAYQWJPO-LJQANCHMSA-N 432.546 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1sccc1C 1690098213 ZTJKBCZGRXMZCC-UHFFFAOYSA-N 434.529 2.425 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(C)C(C)C)CC1 1690119696 ORVPYAYGMDJUIJ-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)CN(C)C)CC1 1690124240 HWKYBFHHNUEDAM-NRFANRHFSA-N 438.576 2.134 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H]2CCCCO2)CC1 1690145986 CHFHDTUYOURWEM-PMACEKPBSA-N 429.565 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC(C)C)N(C)C)CC1 1690146459 OBHXWNJWKZCQQV-RTWAWAEBSA-N 444.624 2.462 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1(=O)=O 1690189169 VJVSKSJKTZASEW-LAUBAEHRSA-N 435.594 2.156 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1690255531 RZZIRPVAEBPZJC-SJORKVTESA-N 425.599 2.029 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690742550 ULQLTVDTDXMGJR-CABCVRRESA-N 447.565 2.233 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698222285 MPTKIVUORYCQSM-UHFFFAOYSA-N 445.483 2.015 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4C[C@H]3CO4)n2CCSCCCO)cc1 1698488919 LJFLVTDOJVDZIO-HKUYNNGSSA-N 429.546 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C(C)C)N1CCOCC1 1705501468 ZQPROWOMXOTARB-QZTJIDSGSA-N 444.605 2.084 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1705565068 FSULRNGVNGMJMV-KRWDZBQOSA-N 441.557 2.216 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2cccs2)n1 1705631423 DONWGIQVZOVWEF-UHFFFAOYSA-N 434.529 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)OC)CC1 1705645744 CWAJGYITDJFXHH-UHFFFAOYSA-N 439.516 2.065 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705665132 KRXBHQDTDWLOGI-DODZYUBVSA-N 431.606 2.278 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1705712802 HWWKSPHJADMOJE-UHFFFAOYSA-N 440.591 2.186 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1705717520 MAEYQOBQTJMPPH-DLBZAZTESA-N 432.546 2.423 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccsc2)CC1 1705729375 VICRTGWLYIGOTF-UHFFFAOYSA-N 444.605 2.491 30 10 IEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705732426 YXLSZVWYQFNAQQ-UHFFFAOYSA-N 440.592 2.310 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705761004 XXIDFBLBZYFZBV-DNVCBOLYSA-N 438.916 2.341 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1705806895 OVUBPOLWKXNCPP-GOSISDBHSA-N 438.580 2.475 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1705861930 UBPOOKBUSFMFPJ-DENIHFKCSA-N 446.573 2.178 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1705866352 NWFYUEOTPVQMRQ-INIZCTEOSA-N 431.562 2.318 30 10 IEEE C=CCn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705893480 KAEZYHBCHGJCSX-QPPBQGQZSA-N 441.576 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCSC2)C1 1705937068 HJVAJSXKNUXCEO-FQEVSTJZSA-N 433.603 2.198 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1706709318 ZJIASYXOMHYOCP-MSOLQXFVSA-N 427.461 2.268 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708603412 FOXODCYLACHMLK-ZWKOTPCHSA-N 448.579 2.380 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1710251550 HIHNWUYVIQVWQN-WAOWUJCRSA-N 434.610 2.185 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1710838064 GACVKPYNORABNN-IBGZPJMESA-N 446.502 2.399 30 10 IEEE CN(CC1CC(F)C1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1711129643 GNRDEDVDNQJXEM-UFHQZZIWSA-N 432.500 2.230 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1(C)C 1712071325 GGNFPTGMIQEEPR-FUHWJXTLSA-N 429.546 2.113 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCOc2ncccc2F)c1 1712878073 DLLFHEICVSWVTR-KRWDZBQOSA-N 435.463 2.132 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC2CCOCC2)cc1 1712880049 VLSJVKPZLQHGGV-LJQANCHMSA-N 438.532 2.104 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1722276127 HHGHKUNAYDBVGO-QWHCGFSZSA-N 425.942 2.057 30 10 IEEE C#CCCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722323963 YHQCZHKQILFIBN-QHCPKHFHSA-N 431.581 2.035 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C)n(C)c1=O 1722376594 UXPOMXCSRRVBHP-UHFFFAOYSA-N 437.507 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1722440765 JBHGQYNARYISHM-LJQANCHMSA-N 444.580 2.284 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1722441100 PACCPWGMTKQPOM-UGKGYDQZSA-N 439.608 2.490 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1722518206 WYWMEUSEQCMFCX-LQWHRVPQSA-N 438.594 2.311 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OCC(N)=O)c2)CC1 1722579058 HTJQKNKDPQMOGN-UHFFFAOYSA-N 449.559 2.455 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1722664536 BWQVOMHEHAKNCZ-UYAOXDASSA-N 440.596 2.044 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1740594246 GGRJJQDOGJVCCV-UHFFFAOYSA-N 434.544 2.343 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCCO1 1740677516 MHGONXHXUZXEGL-HRAATJIYSA-N 449.552 2.236 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 1740699428 GQXXDXKQEOYVRF-FQEVSTJZSA-N 445.951 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOc2ccccc2)CC1 1740704291 LEXJBAFRYQFMOV-UHFFFAOYSA-N 445.527 2.170 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCNC(=O)CC1)C(C)C 1740925767 DPTAOUSPQBIKKW-FQEVSTJZSA-N 425.581 2.309 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740998084 IGSDEXURCGOQET-UHFFFAOYSA-N 433.541 2.392 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1741798046 DOSIMCUZKMFRHY-IRXDYDNUSA-N 446.577 2.360 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1744014000 XEGAUCHDSVTVRM-HSZRJFAPSA-N 437.548 2.183 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c[nH]nc2c1 1744096224 AYDOZEFKPJQJBR-SFHVURJKSA-N 436.520 2.044 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1747707820 VCIZDTYCTSDSPE-RBUKOAKNSA-N 429.546 2.115 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C)c1 1748694559 JEWPCLYOVAEXRA-SFHVURJKSA-N 431.544 2.270 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748818371 ZFYXKRACXLNULF-DLBZAZTESA-N 434.587 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1749014111 DVCWBYQDDANFFK-UHFFFAOYSA-N 443.935 2.279 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1749500789 FYXXNQVTWLCHMN-WMZHIEFXSA-N 441.532 2.397 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1749663826 RQJSGVDCNABVEJ-SFHVURJKSA-N 449.515 2.396 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1750079186 QJFCHILISAOPHA-QFBILLFUSA-N 435.507 2.343 30 10 IEEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCOC2CCOCC2)CCO1 1750389100 WHNQQGGNVUYDDY-NRFANRHFSA-N 441.532 2.214 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760162239 OURMRWUPOCOPLY-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1760183876 UUPKBMGOJYBHRT-RYUDHWBXSA-N 439.326 2.406 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191337 FRPKYZYXWQEENI-YZGWKJHDSA-N 434.606 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCOCC(F)F 1760196246 QJSGAOJLQXXSEV-UHFFFAOYSA-N 426.265 2.401 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CC1 1760267573 RGBKQELRUQVNMJ-UHFFFAOYSA-N 432.528 2.088 30 10 IEEE C=CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1760444526 JYIWOMKXVCQRMG-XXBNENTESA-N 446.596 2.479 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1760523402 XBOTVOCOGJQHCD-HXUWFJFHSA-N 435.532 2.166 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NC(C)C)C1 1760534691 DUGZBKSITOETJH-IBGZPJMESA-N 440.548 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760553695 YMODTWTWDOHANX-UZLBHIALSA-N 441.557 2.421 30 10 IEEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760800475 JPQAOWVENKNEHF-RTBURBONSA-N 438.532 2.494 30 10 IEEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1762348703 XKXQHOGHASTOHP-UHFFFAOYSA-N 439.545 2.037 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1764121306 NXFHZFRDLDBWOZ-HNNXBMFYSA-N 436.520 2.437 30 10 IEEE CCc1nnc(N(C)[C@@H](C)Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1764697298 GUIOPVLZTWKOGA-YWBAYFEHSA-N 438.532 2.443 30 10 IEEE CCN(CC)CCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766683871 HEOLPTJQKXVFRX-GOSISDBHSA-N 437.596 2.339 30 10 IEEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768026931 JZGYYQKGMJKXLI-XOMICKMZSA-N 440.504 2.236 30 10 IEEE Cn1cc(CN2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CC2)cn1 1769016682 XNCLHLNLVSPBOQ-UHFFFAOYSA-N 448.575 2.425 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1774180681 VRHDAXBFXABFAI-KRWDZBQOSA-N 426.517 2.054 30 10 IEEE COc1cccc(CC(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)c1 1857142235 MQZOBEXMZCNOTM-HNNXBMFYSA-N 427.482 2.107 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1864949756 YOAFWGUWBSTHBK-LLVKDONJSA-N 439.350 2.050 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CC)c([N+](=O)[O-])c3)C2)CC1 1872930668 DFISHEMSGHUIDY-KRWDZBQOSA-N 428.489 2.051 30 10 IEEE C=CCNC(=O)c1cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc2n1CCOC 1873590245 LOACOSJCKOCXIK-UHFFFAOYSA-N 438.507 2.459 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874449331 ZHTLRDQMAYYNRX-NPNVKNKFSA-N 436.490 2.303 30 10 IEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NC[C@H]3CCCO3)ncnc21 1875228487 QQQHDVMQUUFWIR-MRXNPFEDSA-N 427.505 2.187 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)NCC#CCN3CCc4ccccc4C3)CC2=O)cc1OC 1890897612 ROGJQEQDNXZIHE-NRFANRHFSA-N 447.535 2.235 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CCC#CBr 1990658060 RNDZRNDSYQMTOX-CQSZACIVSA-N 446.319 2.305 30 10 IEEE CC#CC[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 2009944166 PJQSPVBNRVKWOA-FDDCHVKYSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2124540437 HIVBMZPXVKDWDK-ZMBWWWNNSA-N 448.369 2.421 30 10 IEEE C[C@H](NC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248405645 SFSXVYWXQHUEKU-NWDGAFQWSA-N 441.359 2.464 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248414605 MIVVICAYARSKJM-UHFFFAOYSA-N 440.371 2.205 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2255610611 OYCWAHNVBZIQSB-NWDGAFQWSA-N 444.284 2.343 30 10 IEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255633351 ZNJYRQMOLSOGQP-OAQYLSRUSA-N 436.362 2.474 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255657108 KGUBDQBNGNVAMI-UHFFFAOYSA-N 434.346 2.275 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)cn1 2258963810 XYRPZJCREGMYMQ-INIZCTEOSA-N 432.330 2.127 30 10 IEEE Cc1c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267144897 CAZAFXULGXSYIP-ZDUSSCGKSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2267162318 OJZIASDGUAJBHJ-UHFFFAOYSA-N 446.357 2.201 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267195561 LKJNTODJRIJXRD-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CC(NC(=O)OC(C)(C)C)C1 2267494750 GXCBZSRRCGVWFO-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2267503968 LRMFHHBRAABRHQ-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267515918 VWFJWDFWPBFEGB-CQSZACIVSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267522656 XJNBWLPWAADJPE-JOCHJYFZSA-N 446.357 2.182 30 10 IEEE Cn1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267546561 YJUFDFJKSAWWLK-CQSZACIVSA-N 448.373 2.237 30 10 IEEE CC1(C)OB([C@H]2C[C@H](C(=O)NC3(C(N)=O)CCN(Cc4ccccc4)CC3)C2)OC1(C)C 2267564457 UDDPZFOFKCUQCK-WGSAOQKQSA-N 441.381 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267875249 FRAYUCQULGVFEB-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268646216 IMQCPIRHXAGZES-GJZGRUSLSA-N 447.341 2.080 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)n1 2268990360 KWYBQEODQZUEIW-GOSISDBHSA-N 440.305 2.089 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2282512454 ILQSYSOWCPINQH-FCHUYYIVSA-N 449.360 2.106 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2302368158 SNEBRNRGRWWKEX-HXOBKFHXSA-N 430.501 2.423 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337200758 MMTRABMFTSHGEQ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nc2ccccc2c1=O 10093487 INXYIQXLLIJGIP-QGZVFWFLSA-N 430.574 2.148 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 60167493 ZPWWSLKJFWSCHE-UHFFFAOYSA-N 433.574 2.452 30 10 IEEE O=C(O)c1cc2ccccc2c(C=NN(CCO)C2=NS(=O)(=O)c3ccccc32)c1O 254400538 LPIUTCXGSKIJID-UHFFFAOYSA-N 439.449 2.021 30 10 IEEE CCN1CC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)[C@H]1c1ccc(Cl)c(F)c1 409481806 BTXCAKRNOQMHMI-QZTJIDSGSA-N 432.949 2.311 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc(CCc3ccccc3)no2)CC1 441181352 OBNLNHFKEIDOLY-UHFFFAOYSA-N 437.525 2.233 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)n1 446640589 XOLRVMKLHBSXNW-UHFFFAOYSA-N 431.500 2.442 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 460788907 AVMGDKBNUUNRFL-MRXNPFEDSA-N 433.520 2.423 30 10 IEEE C=C(C)COCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 475381641 DIXVCYWKKBUTFR-INIZCTEOSA-N 431.352 2.311 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)N(C)Cc3ccco3)cc2C1=O 486047733 WYEWHRFNHLMCEF-SFHVURJKSA-N 439.493 2.235 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C1 505012185 BYAIKSIOODZPTG-MRXNPFEDSA-N 432.546 2.198 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C 508568710 GILHJPINWKTKIS-UHFFFAOYSA-N 427.310 2.176 30 10 IEEE COCCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(C#N)cc1 515587291 XYHDUMTYMNNAPN-UHFFFAOYSA-N 431.558 2.280 30 10 IEEE C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(-n2cccn2)cc1 520449415 HJKTVYWBMAAFRB-IBGZPJMESA-N 442.523 2.266 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 522109734 SPAPCYSDJRRRGH-UHFFFAOYSA-N 440.590 2.470 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=C)C)CC1 567294626 XBKPRIMGUXSTTQ-UHFFFAOYSA-N 446.559 2.336 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 574084697 SNONEYKSUAMUKL-UHFFFAOYSA-N 437.548 2.498 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)cc1 589317219 WAZHQKQOHBVTCB-IBGZPJMESA-N 430.530 2.281 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(F)cc1 603991039 UHAANHUESHHLEY-UHFFFAOYSA-N 449.507 2.001 30 10 IEEE CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CCN2C1=O 610605580 GJLDJKIFNFXURV-INIZCTEOSA-N 429.546 2.186 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@@H]1CCOC1 683734474 FIYXDEFKVCWBTL-KRWDZBQOSA-N 445.544 2.367 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2C2CCN(C(=O)C(C)C)CC2)c1 726405287 MUSIYEGMURQNEC-LJQANCHMSA-N 440.569 2.383 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1cocn1 730725242 SBUBLWSAANOYQO-MRXNPFEDSA-N 433.453 2.497 30 10 IEEE CCn1nc(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c(=O)c2ccccc21 735724052 ARIRKLJPRVFJJQ-UHFFFAOYSA-N 442.435 2.269 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C(F)(F)F 739748706 BXHAMWMTOCFPQS-OAHLLOKOSA-N 433.452 2.075 30 10 IEEE C#CC[C@H](NC(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1)C(=O)O 757304182 DUTYPHPVOWOORH-OFVILXPXSA-N 448.475 2.277 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758580039 LZXLFKFYYJQFEL-YESZJQIVSA-N 429.521 2.332 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC[C@@H](N4CCN(C)CC4)CC3)ccc2c1=O 763278457 BMWCPIKWIRVGEX-HDICACEKSA-N 441.601 2.160 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 763514310 DSLLOCFCUJRQCG-SFHVURJKSA-N 427.482 2.473 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1 764074114 CWLVJZNWTMIDNE-VQTJNVASSA-N 433.480 2.052 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)O[C@H]3CCN(c4sccc4C#N)C3=O)CC(=O)N2C)cc1 764550465 PBDYIVFLAZHGJC-JENIJYKNSA-N 439.493 2.496 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)c(C)n1-c1ccccc1 765145480 IWNOLHCGBWSGMG-UHFFFAOYSA-N 427.489 2.380 30 10 IEEE COc1cc(C#N)ccc1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 766865248 GJBKUJSSAHDNCU-UHFFFAOYSA-N 430.482 2.253 30 10 IEEE CN(C(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C1(C#N)CCCCC1 780255717 MRRAVMYKLHOCNF-HSZRJFAPSA-N 443.500 2.300 30 10 IEEE Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 788657369 IHILSMCPWNZXKF-PBHICJAKSA-N 439.335 2.331 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(F)cccc2OC(F)(F)F)c(=O)n1C[C@@H]1CCCO1 790112754 NRJOJUUHXOLADY-LBPRGKRZSA-N 439.390 2.153 30 10 IEEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C)c2=O)cn1 793470199 WUIRWRVZGXNATD-UHFFFAOYSA-N 446.532 2.175 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1C#N 793810474 PCBQRZHDVRDOJK-UHFFFAOYSA-N 443.463 2.147 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)c1 794594593 LLEJBHKFQVDOAN-CQSZACIVSA-N 447.354 2.017 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N 804089958 NXTBXJGFWZAUFJ-SJORKVTESA-N 430.505 2.135 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc4cc(C)cnc34)cc2C1=O 916188031 IUHWNKSUDHJLQI-UHFFFAOYSA-N 435.461 2.444 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1129015313 CPZOLYVOKXQBTG-HXUWFJFHSA-N 443.481 2.076 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)C1 1135823358 ZPRHFPBXWQROQD-KRWDZBQOSA-N 449.374 2.185 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cc1 1141821113 JBPPCOVNSMZKEE-SMKFHGBISA-N 430.534 2.242 30 10 IEEE CCOC(=O)c1cc(OCC)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1154109581 FGPUYYYVRZTYRT-CQSZACIVSA-N 445.497 2.439 30 10 IEEE COC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C#N)n1 1185169701 CGPQNWUDVLGRQI-UHFFFAOYSA-N 429.274 2.465 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCn3ncc(Br)c3C2)ccc1Br 1197310519 BVKQDZOFIZPJIT-UHFFFAOYSA-N 446.124 2.484 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1253262651 MOOQXLRKBVCBCJ-MRXNPFEDSA-N 437.537 2.141 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H](OCC=C)C3)cc2[N+](=O)[O-])C1 1254646583 ZLHRDRYPRNUNRG-MSOLQXFVSA-N 429.473 2.429 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286387862 VKDXDLLHKSBUBC-RBUKOAKNSA-N 428.558 2.307 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCc2ccccc21 1286466390 GHBLTLPXDADSAD-VQTJNVASSA-N 442.585 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ncccc2N(C)C)CC1 1286495276 ZELMCUSKLASXFH-UHFFFAOYSA-N 449.603 2.486 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286507050 BHHCSIHSJOUOON-LJQANCHMSA-N 431.631 2.455 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1286508508 SXAQAWAVSYHYJG-UHFFFAOYSA-N 440.617 2.179 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286604331 ILFRVXZCQXCWDB-CJNGLKHVSA-N 449.353 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1286787566 WPAXCCHVTYNEEC-MRXNPFEDSA-N 435.532 2.213 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC(S(C)(=O)=O)CC1 1286798164 DEXYEFIPHBVFCK-UHFFFAOYSA-N 434.562 2.441 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)C(C)(C)C1 1286819584 OZJXJPQTYZZNHW-HNNXBMFYSA-N 449.577 2.479 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1287048266 SJCLQSXIFOHTOD-SJLPKXTDSA-N 446.552 2.300 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1287787523 CPIDGDUCUYQYCS-LEWJYISDSA-N 442.539 2.094 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1)OC 1291411166 HFOYASXLNFHMRJ-YLJYHZDGSA-N 440.548 2.173 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccccc2OC)C(=O)OC)c1 1295362847 MOQIADSNUZVNBX-IBGZPJMESA-N 443.521 2.254 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4nnc(O)o4)C3)C2)C1 1296864864 REBQRTAOXZMOCY-NSOWYUBSSA-N 431.493 2.268 30 10 IEEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1300137583 BUTIASWWWOVONM-JOCHJYFZSA-N 442.495 2.216 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccco2)c1 1300336619 LQTZFQSLPXBSOJ-UHFFFAOYSA-N 432.484 2.098 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300401087 MJIUOCBHQGMLRH-HXUWFJFHSA-N 435.576 2.277 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1300412195 YTZGEMRSTVYYQD-LJQANCHMSA-N 427.574 2.310 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1 1300672398 ZYWUZWCGHCEEQX-MRXNPFEDSA-N 436.603 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300673604 RNAWUGLSOWNKQN-QGZVFWFLSA-N 428.537 2.263 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCOCC1 1300778760 HOXLWYCVNPTTOV-JOCHJYFZSA-N 438.532 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(CC)CC1 1300820029 YIXIBCHLFQCGMX-MDAIXWLXSA-N 444.624 2.020 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1300880784 KUVXWYQDMOKCJI-KPFFTGBYSA-N 427.553 2.155 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1301173971 MKOGFATWHDEKCX-SJLPKXTDSA-N 425.599 2.498 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1301354938 LHMYKEBJAJQIQV-SFHVURJKSA-N 449.552 2.038 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CC=CCC1 1301496809 HBNJSDBCASFHSW-QGZVFWFLSA-N 447.543 2.287 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1301500738 PAWYLKXCMVVXPQ-MRXNPFEDSA-N 431.562 2.451 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)NC)c2)C1 1301567359 VWZRHCNTVYMHQX-OAQYLSRUSA-N 449.559 2.329 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1301609241 FRPKKZUBIIXAKI-RBUKOAKNSA-N 443.573 2.433 30 10 IEEE CC(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1303120547 RYNPWIVGNHXUGX-FQEVSTJZSA-N 439.564 2.438 30 10 IEEE C=CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1312018805 DYODIOKKHOPMBH-SJLPKXTDSA-N 429.521 2.218 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)CC(F)(F)F 1314861584 BHBOGUWHOZXSRN-IAGOWNOFSA-N 447.465 2.026 30 10 IEEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1316258572 GUMLHOZUKZCLKS-UHFFFAOYSA-N 438.532 2.245 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOC(F)(F)F)CCO1 1316540675 YLUSPVQBJUGEDS-CYBMUJFWSA-N 425.367 2.329 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccnc(N4CCOCC4)c3)CC2=O)cc1Cl 1352817504 CPHAJAIATXXXMF-KRWDZBQOSA-N 439.903 2.113 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(CCN(C)C)CC1 1358873399 ISQZJKITYSIEAM-YKSBVNFPSA-N 446.640 2.050 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1358885392 JIBKPCXJJMMKAJ-GOSISDBHSA-N 431.544 2.198 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1358891154 ZTQPELHJTJFRPK-BZSNNMDCSA-N 433.578 2.314 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[C@@H]2COCCO2)c1 1358901574 PCZWAIKXOWNATG-HXUWFJFHSA-N 448.527 2.145 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CCOCC2)CC1 1358918260 PERZGGDTKMEVRR-VXKWHMMOSA-N 445.608 2.354 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1c(CC)nn(C)c1OC 1358975022 ZMHBUWURLWEMQQ-UHFFFAOYSA-N 446.511 2.142 30 10 IEEE C=C(C)Cn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1359124934 JJYHJCDWORXEMM-JOCHJYFZSA-N 429.496 2.499 30 10 IEEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359217423 ZDGRIELWBUTLGY-UHFFFAOYSA-N 449.625 2.386 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(CCC#N)cc2)c1 1439393520 IWSRBAUYKSZQNQ-UHFFFAOYSA-N 442.541 2.482 30 10 IEEE O=C1C=COC2(CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)C1 1439728063 SPMVYGUEGSOEMA-QGZVFWFLSA-N 431.876 2.409 30 10 IEEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H](C)CS(C)(=O)=O 1444057674 FDOYWFWSTCLVOX-DQLYFJKKSA-N 427.567 2.055 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1461310315 UBHODTQWJSOTCG-XIKOKIGWSA-N 442.825 2.092 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1462999903 SWNYHDBQMCCJFR-FVJLSDCUSA-N 433.530 2.039 30 10 IEEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1466736191 HLRSVJOQDVACGZ-ZFWWWQNUSA-N 430.534 2.270 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 1469359013 JKUQOJREXAVISR-SFHVURJKSA-N 429.521 2.390 30 10 IEEE C#C[C@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccc(Br)cc1 1470664071 VFUWBTPGZVPPNM-INIZCTEOSA-N 428.352 2.094 30 10 IEEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1472364544 WKEILEBCKKIFKX-VPAPRSNLSA-N 437.515 2.300 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)CO1 1473847293 ZDSHBTFPIQFDRZ-RTBURBONSA-N 437.581 2.454 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1504964356 HOICPACZBOXDJU-VGSWGCGISA-N 443.527 2.488 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1505324777 BXWLHGSZBPRKAH-UHFFFAOYSA-N 426.484 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1507628410 OIGCJLHLCBEPAE-LJQANCHMSA-N 442.585 2.394 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1507632269 KIAKEOAJZWXFLO-SJORKVTESA-N 449.602 2.268 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1([S@@](C)=O)CCC1 1507699679 JJPVWCPMXIEYBN-WJOKGBTCSA-N 445.564 2.496 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(=O)NC)c1 1507705911 XVEDPLSCLFBPSZ-UHFFFAOYSA-N 438.919 2.487 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCc2cccc(C(=O)NC)c2)CC1 1507727224 HUKKBLUGQAVXDM-UHFFFAOYSA-N 448.596 2.288 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1507844499 KXTPOUAVHVZLDH-FUHWJXTLSA-N 444.532 2.446 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C(=O)NC)CC1 1507908981 MQZKZWONEADVGB-UHFFFAOYSA-N 430.578 2.444 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1508118116 PNGAHVBAQGACLA-LJQANCHMSA-N 449.515 2.042 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)C1 1508125479 RIHVMIXKRBHVIA-LSDHHAIUSA-N 436.438 2.473 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508162565 ORPLKVXXLCZBTM-QGZVFWFLSA-N 427.534 2.452 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1508316875 CNPNLHGXIFLFIW-ROUUACIJSA-N 430.459 2.346 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCOCC2)c1 1509949626 BBBWGSRJZKYACM-GOSISDBHSA-N 432.532 2.354 30 10 IEEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1511611364 GOKBIVBKVNMIGN-UHFFFAOYSA-N 434.548 2.180 30 10 IEEE Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511900876 KDWRWVGZDRNRBK-NQKFGRBQSA-N 442.907 2.344 30 10 IEEE CCc1nnc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)s1 1513802104 CHCWLDMGWBYNLF-UHFFFAOYSA-N 436.545 2.371 30 10 IEEE CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)c1 1516322899 UPJDKIZMRDKFIN-TYPHKJRUSA-N 441.532 2.372 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3cccc(Br)c3)CC2=O)cn1 1521060561 IJPPZVQCLDEQGS-RHSMWYFYSA-N 446.305 2.026 30 10 IEEE Cc1nc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)sc1SCC#N 1534069726 HUZOWQGJLKMEBF-LBPRGKRZSA-N 439.563 2.474 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Br)C1CCN(C)CC1 1538304928 RTVRWECZWQIAKF-UHFFFAOYSA-N 427.364 2.412 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1539072474 RSUMNYDSAFBZEH-QGZVFWFLSA-N 430.530 2.349 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(N(C)C)CCOCC1 1539278494 FDUALLYBOFYCJL-UHFFFAOYSA-N 425.508 2.180 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539363055 JTTVJNQIFFNZDM-UHFFFAOYSA-N 443.555 2.457 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccncc2Cl)CC1 1539427652 GERGIKBBWXNTSB-UHFFFAOYSA-N 429.956 2.048 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2CC2)CC1 1539452532 VFFSCLANMLZRPS-LJQANCHMSA-N 444.580 2.142 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1539461532 GYPJYUOBRYSLJM-WOJBJXKFSA-N 439.560 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1539480623 CUJKJXDYLYVRCN-GGPKGHCWSA-N 429.565 2.301 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C)C1 1540861728 DPSLCIHPZXUVLV-HNNXBMFYSA-N 430.940 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCOC1 1540897639 OIIDLBOVFODHBD-NVXWUHKLSA-N 438.525 2.383 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2cc(OCC)c(OCC)cc2C1)c1cc[nH]n1 1542623325 WGPYOZJBYJTQKD-UHFFFAOYSA-N 444.488 2.076 30 10 IEEE Cn1cnc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@]3(CO)C2)c1 1548365618 GMGQHHOZDVRNAH-MGPUTAFESA-N 433.434 2.272 30 10 IEEE Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)ccc2n1[C@H](C)CO 1556604154 XWGMLWYZXOWBQH-CQSZACIVSA-N 441.513 2.342 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)C1 1558330124 YOSCMCNDIMWBSY-IEBWSBKVSA-N 427.574 2.458 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2)C1 1560182905 QPBIFCSMHYUUMS-AUSIDOKSSA-N 438.572 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCNC(=O)CCCc2ccccc2)C1 1564530470 CXDJOGHUAAMYNJ-RBUKOAKNSA-N 443.548 2.184 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)CCOC1 1585022831 VOMLUMMECINMEO-RUZDIDTESA-N 449.507 2.227 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1587641041 WPNGKCKBFUNCLJ-UEXGIBASSA-N 425.533 2.095 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCN1CCN(CC)CC1 1587672389 CDFLSYYAPYINLC-LJQANCHMSA-N 428.556 2.482 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1587975054 KXZCQUZZFKIORX-UHFFFAOYSA-N 430.516 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCc1ccnc(C(C)(C)C)n1 1588224114 PQGAEQUTERNGHY-LJQANCHMSA-N 433.560 2.412 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1588314726 OSNDGNQMWGQRCA-UHFFFAOYSA-N 447.465 2.146 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1589117010 RMJUGKRYGALXKU-UHFFFAOYSA-N 431.537 2.325 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1589164092 PQCXJUMBFUDBLO-JDBUVZGPSA-N 445.608 2.422 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1594855837 DQUNWXPOBFAAKA-LBPRGKRZSA-N 433.456 2.457 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@H]1C 1595234319 OTROKOGNRHEFOR-MBSDFSHPSA-N 427.549 2.191 30 10 IEEE C#CCC1(NC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CCOCC1 1596539509 REYMEFICTHLPOW-UHFFFAOYSA-N 427.505 2.099 30 10 IEEE O=C(N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1)c1cccc(C#CCO)c1 1597023246 VBRWEDLMCYFIGQ-UHFFFAOYSA-N 426.494 2.291 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CCCC2)n1 1612489510 FDJJTLMQRGEMJR-UHFFFAOYSA-N 445.593 2.237 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)F)CC3)n2Cc2ccc(C#N)o2)n1 1612502281 LJXJNPFSRXSSEH-UHFFFAOYSA-N 430.463 2.040 30 10 IEEE Cc1nnc(N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1612575146 RPFKWIXCNBWPJZ-MOZGOHAHSA-N 425.320 2.133 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1612576264 XCNXHZASFWBIRR-UHFFFAOYSA-N 427.509 2.425 30 10 IEEE CC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1612730248 ZQTXFRDRTISAPJ-USGVDGLWSA-N 428.537 2.323 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1617184533 GITOWRGFLOHYOD-IBGZPJMESA-N 438.532 2.295 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1618717060 JEARQWRXQTUVIC-IBGZPJMESA-N 449.559 2.084 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C[C@@H](C)O1 1619753868 FVZQXAKLBSMDTH-LMNJBCLMSA-N 441.532 2.395 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1624023605 VGVKTZFFQIZRAF-UHFFFAOYSA-N 435.329 2.336 30 10 IEEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H]1n1cccn1 1624308031 OGDRICVLCFGQNK-KURKYZTESA-N 434.493 2.247 30 10 IEEE CCCOc1ccccc1C(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1632333113 GZAFEQSSRYUVBM-UHFFFAOYSA-N 443.525 2.293 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1 1634460407 AHGUMNXWOJFETH-NGICGMGXSA-N 432.546 2.254 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(OC)c(OC)cc2I)C1 1634555254 TYXHQYGPOMTXAU-LBPRGKRZSA-N 428.270 2.136 30 10 IEEE N#Cc1ccc(C2(NC(=O)CCNS(=O)(=O)c3ccccc3F)CCOCC2)cc1 1635513859 MORXFKSDCRWMCQ-UHFFFAOYSA-N 431.489 2.188 30 10 IEEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2)c1 1637748578 GZSJOXRFHQZBMC-YADHBBJMSA-N 435.528 2.325 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)C1 1638397446 IEETZRWVOQVUNX-YOEHRIQHSA-N 426.330 2.136 30 10 IEEE O=C(c1cn(C(F)(F)CO)nn1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039637 QRVAGQTXNCXJTC-WDSKDSINSA-N 444.229 2.063 30 10 IEEE C=CCOc1ccc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1661911986 YXJFWTCZJUXLMH-SFHVURJKSA-N 426.535 2.307 30 10 IEEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)nc1 1671372293 DQZFXEFBIRSFEJ-UHFFFAOYSA-N 432.477 2.026 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)CCO2 1684057658 HWNXNGWGCNZXET-IOANDJKRSA-N 427.505 2.040 30 10 IEEE C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1 1685532633 UNNCUAOMMKICOD-JDFRZJQESA-N 426.336 2.132 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C1CCC1 1689835586 PFSBCALZXJOMHN-MRXNPFEDSA-N 443.573 2.113 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1690136210 BIGZVHPWOHJAEE-HSZRJFAPSA-N 427.524 2.414 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC=CCC2)CC1 1690137874 KTAGESVEPPFJAH-DVECYGJZSA-N 441.576 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCN2CC)CC1 1690150412 GOHMJPQQHNSZQP-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1690241317 QYCSRMFVMOLSIP-UWJYYQICSA-N 441.532 2.222 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1690248163 LCLDVSHAQXLXDU-TZIWHRDSSA-N 447.605 2.144 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690311152 DSPIKSBYGBZTGF-PGRDOPGGSA-N 430.553 2.250 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCOCC1 1690508288 FPSLABJEXPDBNS-UHFFFAOYSA-N 427.553 2.272 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1690671220 RADKHYONXCSBFR-CTNGQTDRSA-N 438.576 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1690724537 RGHCSBWIMAOSFE-UHFFFAOYSA-N 439.626 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@](C)(CC)C1 1690725215 IMGBAQJDPBVLQS-JOCHJYFZSA-N 448.589 2.484 30 10 IEEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690734219 YUCBPSYCEAJGQQ-QAPCUYQASA-N 449.552 2.428 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1Cc1ccc(C#N)o1 1692540087 MXXYLSLHVJHIEN-CYBMUJFWSA-N 439.442 2.002 30 10 IEEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1696512839 DJTRLUANMYNSNQ-RQZFFVEVSA-N 442.589 2.326 30 10 IEEE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 1696589153 RNKPMUAQJLNYAX-SFHVURJKSA-N 434.342 2.264 30 10 IEEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)n1 1696866068 DEFDXERVJJYVOU-UHFFFAOYSA-N 432.444 2.115 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)C1 1696927899 AOBGUUUFUHHSLB-OAQYLSRUSA-N 432.475 2.451 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCOC4)n3CCSCCCO)CCO2)c1 1698485612 JUXBSRXAPJHQFG-WOJBJXKFSA-N 443.573 2.347 30 10 IEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSCCCO)CC1 1698491324 XYWDHSVSMYYNCV-UHFFFAOYSA-N 434.591 2.125 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705526077 ALTDHJCKEYZPHT-MRXNPFEDSA-N 429.322 2.335 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705543326 CEAZRKKHXXHEFO-LJQANCHMSA-N 436.516 2.052 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1705551726 CWCXSKCAJNGQMI-IRXDYDNUSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705564102 LFAQPLXWSLSZQC-SQNIBIBYSA-N 446.548 2.262 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COc3ccccc32)CC1 1705632585 VGOFCDGNKIUWBP-SFHVURJKSA-N 436.560 2.128 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1705644931 GVGRRONMQIJREQ-QGZVFWFLSA-N 439.560 2.448 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1705707620 OFIVAOYEVUBPKN-JOCHJYFZSA-N 448.637 2.124 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1705920715 CZIMXLATXBOHRU-QFBILLFUSA-N 432.546 2.170 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC)c(OC)c2)C1 1705922964 WRHYCLXJAAZTMF-QZTJIDSGSA-N 441.532 2.466 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705948237 MJDHXTMUEJAFNJ-FQEVSTJZSA-N 446.602 2.048 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706644528 BPQCOLDYPYNQFN-UHFFFAOYSA-N 430.516 2.063 30 10 IEEE CCc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709129136 PJJKMNVKTNAUSA-XKXPVHLMSA-N 436.516 2.335 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)C1 1711445883 HLZIZGXAQWJIBX-WOJBJXKFSA-N 439.516 2.402 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722334927 IEWXQYOONYPABJ-UHFFFAOYSA-N 428.606 2.334 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1722368201 PMXOAUVTLLAHGK-LJQANCHMSA-N 439.541 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1722399303 MPWZDEMFKFBLLG-UHFFFAOYSA-N 433.537 2.201 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1722410006 NCKDOHLKRCDKGM-SFHVURJKSA-N 429.594 2.038 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C)CCOCC1 1722422330 XQXUWLQKWGORBH-UHFFFAOYSA-N 446.573 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCN2CCOC2=O)CC1 1722430579 FRTLPTIXWIAPPI-OAQYLSRUSA-N 436.560 2.418 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCCCC2)CC1 1722439812 QKBZRJYDQNNBSA-UHFFFAOYSA-N 427.622 2.265 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CCOC)CCCC2)CC1 1722441800 UTZWDBZKWJGGOF-SFTDATJTSA-N 445.608 2.354 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722482185 GAIKDGVTPSLCLQ-AWEZNQCLSA-N 436.310 2.246 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722537192 MEQIVAKOHSYWAZ-MSOLQXFVSA-N 445.568 2.203 30 10 IEEE C=C(Cn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1722540550 DHDMUPNGURUYLM-XMMPIXPASA-N 441.576 2.412 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C)CC1 1722699847 ZPKLNIWCMVGISU-GOSISDBHSA-N 438.580 2.381 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC)CC2)cc1 1722704634 LVMARQIDJCXPEA-GOSISDBHSA-N 427.505 2.284 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1722705021 SCIWSRDEVOHXSV-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1722731765 RGNOAJREGLTRQV-PXNSSMCTSA-N 426.583 2.013 30 10 IEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)N(C)C 1723244574 AXALMXFHHYCAND-WOJBJXKFSA-N 436.564 2.007 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1723790721 OXUAYBYGVYVFMY-ZJPYXAASSA-N 436.582 2.072 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1727212851 COSJFUURZQLIKM-OSCRUYLVSA-N 443.552 2.102 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1728408071 GACSCWHPMXGPMG-IBGZPJMESA-N 434.552 2.062 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCCS2(=O)=O)cc1 1730187686 AEEOPUKUZIIUOL-LPHOPBHVSA-N 447.561 2.429 30 10 IEEE COC[C@@H](F)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730492503 JUUOEEPVQIJHGL-PKOBYXMFSA-N 428.512 2.039 30 10 IEEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1730920929 ABEOGEUBTBHDFD-ZDUSSCGKSA-N 425.331 2.305 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCn2ccnn2)c1 1740562645 MGJVRJNJSMKGSQ-UHFFFAOYSA-N 441.499 2.078 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1740583109 VIGLKPFVALRWQQ-OAHLLOKOSA-N 427.505 2.086 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1740619765 RHWSUXNUSJJFNH-FQEVSTJZSA-N 430.574 2.297 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCn1c(O)nc2ccccc21 1740685971 BVYUYEDLZMWULB-UHFFFAOYSA-N 431.500 2.105 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H]2COCCO2)CC1 1740689643 CCMXYHIGDIZTRK-OALUTQOASA-N 443.523 2.118 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1740789252 AZVMUDYFEPSPAK-QGZVFWFLSA-N 427.505 2.011 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740846022 KBYWVVPRJKEOPZ-UHFFFAOYSA-N 435.598 2.189 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740882564 PKZPDYXGZRWRLC-INIZCTEOSA-N 446.939 2.414 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1740932580 RJUUHTOPHNIORB-INIZCTEOSA-N 442.545 2.114 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740965394 INXLBRJZFIOHQJ-IVSAIRAKSA-N 427.496 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740990908 JJRZRKBMLJGNOS-HOCLYGCPSA-N 439.582 2.106 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@H]1CC 1740995595 QSVUIALOASONKG-FJIDUMEYSA-N 426.583 2.228 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1741006262 DYCJWYCXLZGWGJ-LJQANCHMSA-N 431.610 2.495 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1741131449 FSDFIQLZDFFYBJ-RDJZCZTQSA-N 446.577 2.397 30 10 IEEE CCN(CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1746136910 CHLLILQPQUNGIP-HXUWFJFHSA-N 432.532 2.354 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1748760850 HZSRNCAGZVJMRI-UHFFFAOYSA-N 432.546 2.293 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748810251 VABFRBMDXWZDOZ-CTNGQTDRSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(C)c1 1748864415 WQOGUVXXYTUJEH-OALUTQOASA-N 443.573 2.127 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCc1nc(C)cs1 1748892700 VHJSLNVPKKWDOZ-SFHVURJKSA-N 445.614 2.431 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1749743119 NFSKVOLJHXOYBF-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CC(=O)NCC(F)F)cc1 1750382645 XAKTXNRUKQDAGN-QGZVFWFLSA-N 444.486 2.329 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H](C)C1CCC1 1760137461 KJKOBQUOXNMZKE-MJGOQNOKSA-N 437.610 2.429 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760141294 PPCKHMVHEUWVOK-UHFFFAOYSA-N 441.605 2.291 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1760161530 IECXDWUIOJGBMG-KRWDZBQOSA-N 445.568 2.225 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CCN(CC)CC1 1760172843 ATXBHOLAOBVRHT-SFHVURJKSA-N 425.537 2.196 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760182082 BNYHWEJMSFJZFJ-QUCCMNQESA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760186908 HAOZEXBIXBCXSL-AQNXPRMDSA-N 449.621 2.021 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCc1ccco1 1760232274 YTTLBQSAYHLQOF-UHFFFAOYSA-N 429.484 2.500 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)C2CCCCC2)CC1 1760261120 LKOOPMNPCZJKDG-UHFFFAOYSA-N 438.624 2.159 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C)n2)CC1 1760268265 OUMHHKYCEQXBRY-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760279335 ZPSZPHBNWOFLHO-UHFFFAOYSA-N 449.584 2.316 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C1CCCCC1 1760296985 BYYPCJHKRINNCJ-HSZRJFAPSA-N 426.565 2.184 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1760487398 RWFFYAKLHQUALT-WBVHZDCISA-N 444.561 2.414 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC(N)=O)CC1 1760527875 KZJPBETURQPXBK-UHFFFAOYSA-N 442.589 2.273 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1761238505 RMTFPEIYYNAFGG-BRWVUGGUSA-N 432.569 2.375 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1761360161 HFYIQBGLWSYYMY-QWHCGFSZSA-N 437.426 2.460 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1761361100 ANCQPHQRFKWXOO-MRXNPFEDSA-N 432.488 2.164 30 10 IEEE CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1764253196 BIOUELSJOXGNJD-RTBURBONSA-N 425.537 2.190 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1766368778 BPOUWINXYPLIJY-HNNXBMFYSA-N 449.481 2.368 30 10 IEEE CNS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1C1(c2ccccc2)CCC1 1767862205 PPHXIFIQSYJVTB-UHFFFAOYSA-N 442.589 2.427 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1769747942 SFKWFWTZXRDHAK-UHFFFAOYSA-N 436.520 2.015 30 10 IEEE COCCCOc1cc(C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1771059168 BRKHICSPPZHICI-VQTJNVASSA-N 441.532 2.283 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)OCc2ccc(F)c(C#N)c2)CC1 1852102063 PDJRGZTYYUINNA-IRXDYDNUSA-N 431.464 2.456 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(COc3ncccc3C#N)CC2)c1 1852392078 KMVCMJISDILLFG-UHFFFAOYSA-N 428.514 2.135 30 10 IEEE CN1CCC[C@@H]1C(=O)O[C@H](COc1ccccc1C#N)CS(=O)(=O)c1ccccc1 1852503950 CFBKKHFCCCZQRA-UYAOXDASSA-N 428.510 2.417 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1)c1ccc(Cl)cc1 1853186218 YLWCMRLPYLQZSK-CYBMUJFWSA-N 431.949 2.447 30 10 IEEE Cn1nncc1CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)c1cccc(C#N)c1 1853538413 IKBBSYHAQABOPZ-OAHLLOKOSA-N 444.421 2.246 30 10 IEEE N#CC1CCN([C@@H]2CCCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1855606655 WPHYFMBAOXBXJC-LJQANCHMSA-N 435.521 2.133 30 10 IEEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1C[C@@H]1CCCO1 1870233333 KNGVXWRWAZCWCT-SFHVURJKSA-N 438.513 2.294 30 10 IEEE CCn1cc(OCC(=O)NCCOC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870288039 SJRLEEXMBODQRJ-UHFFFAOYSA-N 444.557 2.494 30 10 IEEE N#Cc1ccc(COc2cn(CCCCCO)c(CN3CCC(O)CC3)cc2=O)cc1 1870350236 VXJBDFTUGCTWRZ-UHFFFAOYSA-N 425.529 2.418 30 10 IEEE C=CCn1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc2c(N3CC(O)C3)ncnc21 1873595024 MEMSMJQAZFEZGZ-QFIPXVFZSA-N 446.555 2.365 30 10 IEEE C=CCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(NCCOCCO)ncnc21 1873631885 KPPFFTAGARIUQZ-UHFFFAOYSA-N 438.488 2.249 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874340075 ASZKJQLAZGKCSF-LTNVFZTJSA-N 447.561 2.376 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)CC1 1889240610 LXIVXNSESWTZNY-UHFFFAOYSA-N 425.360 2.260 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3cccc(OC)c3)CC2)CC1 1890218816 KWZZUXKCVTVWPP-UHFFFAOYSA-N 427.589 2.276 30 10 IEEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1892079138 FCKHYQOVYPYTMN-UHFFFAOYSA-N 432.458 2.350 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)CCN1Cc1ccccc1 1914704342 ITQXBBINSHTWPO-VXKWHMMOSA-N 436.512 2.466 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1 1982282380 WUKVPDARRBPADP-XFNZEKPQSA-N 431.374 2.237 30 10 IEEE C=C(I)CN1CCNC(=O)[C@@]12CCCN(C(=O)OC(C)(C)C)C2 1992168083 VFHYRAVETROJEU-INIZCTEOSA-N 435.306 2.137 30 10 IEEE Cc1ncc(S(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)cc1C#N 2207114464 QAUKCXDEGZUNFR-BIXGBWIQSA-N 426.498 2.388 30 10 IEEE Cc1cnc(N2CCOC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224123264 FMLMVOKGJYFKHM-MRXNPFEDSA-N 433.358 2.419 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)C1 2243271067 MGAYNJZXVPDQCI-HCBHNBLTSA-N 443.566 2.442 30 10 IEEE C[C@@H](CCCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255831606 YMWDGHLIJQAJOA-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929916 XLNBLEOHLNDELV-QGZVFWFLSA-N 444.362 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2260789598 MEBOQBLBAINBSZ-QXLXQBSBSA-N 435.374 2.374 30 10 IEEE Cn1nc(C(=O)N[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267137013 JKPYMOVMPSNXNE-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 2267143031 BWSYSGUMOWZKFQ-RDJZCZTQSA-N 446.357 2.227 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 2267143919 PGIGCHKNFAHGAP-CABCVRRESA-N 448.373 2.474 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267148085 WGHLLIZQJQWFNJ-CVEARBPZSA-N 448.373 2.378 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2267232463 RPFRTCLBHFAJDR-UONOGXRCSA-N 438.255 2.282 30 10 IEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268643999 MXMVTEFTBPAEMA-IIDMSEBBSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)=NO2)C1 2271470023 BEMYECIWSVHBSO-JOCHJYFZSA-N 447.341 2.283 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367793782 DPJOIFCHSCPSLB-QKNQBKEWSA-N 435.542 2.134 30 10 IEEE C=CCCOc1ccc(-c2nnc(CCC(=O)NC[C@@H]3CCCO3)c(O)n2)cc1OC 34767482 GMEAJOBYQQCKDJ-INIZCTEOSA-N 428.489 2.436 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)NCc1ccc(F)cc1 58997411 GPIDEXZIUBRFNV-ZVBGSRNCSA-N 445.436 2.412 30 10 IEEE C#CCN(C(=O)c1ccc(Br)cc1Br)[C@H]1CCS(=O)(=O)C1 218835575 VVNDUHAGBBFNJY-NSHDSACASA-N 435.137 2.474 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1 437827932 HSFGAMIWBIDLAN-UHFFFAOYSA-N 427.549 2.201 30 10 IEEE COc1cc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc(OC)c1O 447447204 CNCWAJWOYXVHMB-MRXNPFEDSA-N 427.482 2.364 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)n1 477001289 LHJYLJVXWUJAMK-UHFFFAOYSA-N 444.516 2.293 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CCCC1 486845542 WSTYCYFKGKMNFD-NRFANRHFSA-N 448.571 2.489 30 10 IEEE N#CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 487215028 AXIRLWKQMPNUTB-PXNSSMCTSA-N 440.525 2.238 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCCN3c3ncnc4ccccc34)C2=O)cc1 490234520 ANGOLCJNYGUNSL-FGZHOGPDSA-N 440.507 2.388 30 10 IEEE N#C[C@@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(Br)cc1 499422210 ORYJVWINRQRLNA-MRXNPFEDSA-N 427.258 2.496 30 10 IEEE Cc1cccc([C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)N2CCOCC2)c1 501118523 QPWQPEQMSUVFCZ-JOCHJYFZSA-N 434.544 2.167 30 10 IEEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 504985497 OBRZCVDCVSXVEV-FQEVSTJZSA-N 438.507 2.265 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CC1 518720516 UDERFEUKOFCMSV-UHFFFAOYSA-N 425.554 2.290 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 521813797 ZTOXMHKGLBUFDC-UHFFFAOYSA-N 448.463 2.435 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)cc1 525173227 QTLHHKDZNLYLHJ-UHFFFAOYSA-N 447.560 2.132 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(S(=O)(=O)NC(C)C)c3)cc2C1=O 549923536 YZBPDZWCYBGPLH-UHFFFAOYSA-N 441.509 2.085 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C1=O 561534774 WJJDJLOVCGAEIB-AEFFLSMTSA-N 445.497 2.113 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3Cc3ccccc3)CC2)n1 563480587 FHRYRXUJLNYGIY-UHFFFAOYSA-N 442.527 2.156 30 10 IEEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC1CCC(Oc3nccnc3C#N)CC1)C(=O)C2 585355980 TUAJKNBNFPOJDO-LKJMTOHESA-N 432.546 2.353 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(C)=O)C1 670232693 BSIAPQVTGMOZSY-KRWDZBQOSA-N 445.593 2.228 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 725755707 JXDDIQQOZQLSSH-UHFFFAOYSA-N 427.457 2.365 30 10 IEEE N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)N1CCS(=O)(=O)CC1 732908606 OZKVIPVSWCSFJT-MRXNPFEDSA-N 434.420 2.337 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 734293558 YVZAGLIYDCSMHY-UHFFFAOYSA-N 447.538 2.160 30 10 IEEE C[C@H](OC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 746625749 GGMPREZVBPQJRY-NSHDSACASA-N 433.511 2.081 30 10 IEEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H](O)c1c(Cl)cccc1Cl 752964536 HLOULTJGXZRRQC-FLMORQRZSA-N 427.288 2.241 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1 765543194 IQVZDLCNZLEZKZ-LJQANCHMSA-N 442.589 2.318 30 10 IEEE C#CCN(C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)[C@@H]1CCS(=O)(=O)C1 774176241 CFIPABFNIUJZJF-HXUWFJFHSA-N 443.500 2.410 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774218135 HFTBQPDNJPJWQB-QZTJIDSGSA-N 443.491 2.112 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCCC1 786296838 OOIYTLJHFREDRG-KKSFZXQISA-N 431.537 2.066 30 10 IEEE CC(=O)N(C)c1ccc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 786454096 YBTICCQXZFRRIA-UHFFFAOYSA-N 436.287 2.422 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(Br)cn1 789967188 DHSNCXZYLZFUBD-LLVKDONJSA-N 436.339 2.320 30 10 IEEE CC(C)(C)c1noc(CCC(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)n1 790839546 OTXBOXMQBDMPAT-UHFFFAOYSA-N 441.307 2.439 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 794838397 OBSCVKPTERSOOR-MSOLQXFVSA-N 426.494 2.037 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1cncn1C 796086139 FFJLGDQOPUTELY-DYESRHJHSA-N 443.548 2.338 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)cc1 804508535 WBJJOZCNQHHZLB-JOCHJYFZSA-N 426.538 2.492 30 10 IEEE COc1ncccc1CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 810165468 SXXQFRQLQLHNNV-MOHJPFBDSA-N 431.518 2.267 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)cc1 810473793 HUMWYPGVFOCZJX-GOSISDBHSA-N 431.901 2.210 30 10 IEEE C#CCN(c1nnc(Cc2cccc3ccccc23)n1CCOC)[C@H]1CCS(=O)(=O)C1 812166931 OYIVVMLWDYWHTP-FQEVSTJZSA-N 438.553 2.295 30 10 IEEE CCOc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc(Cl)c1OC 837800024 OPCDBBWAYMLSDQ-HNNXBMFYSA-N 445.928 2.176 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)C1 915100710 YYKNLLAMBVNNQY-CVEARBPZSA-N 441.513 2.455 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cn1c(O)nc2ccccc2c1=O 915405735 XZZZVWPWRIXGOH-CQSZACIVSA-N 427.482 2.310 30 10 IEEE N#Cc1nc(NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)ccc1Br 1130240709 YHHZCQJJYLDWDQ-SECBINFHSA-N 441.332 2.256 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 1152967233 BJNORJJOQFFEDX-UHFFFAOYSA-N 447.944 2.144 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1 1152968077 YDUCQUZBGGAOLL-UHFFFAOYSA-N 433.917 2.358 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)N2Cc3cccc(C#N)c3C2)cc1OCC 1164212177 YWEMGKVUHPOIGY-UHFFFAOYSA-N 429.498 2.176 30 10 IEEE O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC2(C[C@H](O)CNC2=O)C1 1177698394 BDTWATSABWDERJ-NSHDSACASA-N 428.304 2.299 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNC(=O)CCCc3ccccc3)C2=O)cc1 1248376293 VZXZIBOSXMZNHH-QFIPXVFZSA-N 447.539 2.097 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386556 CRBGFTAWNKKCJK-GOSISDBHSA-N 445.589 2.117 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCN(C)C1 1286455660 HLOBQHCCBYJVGS-XMMPIXPASA-N 434.519 2.494 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(CCC)CC2)CC1 1286469273 CSBSKDXDAJUYAE-UHFFFAOYSA-N 443.640 2.074 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286546690 LCIJCRKGKSEPCA-QRVBRYPASA-N 437.610 2.387 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C)C1=O 1286743220 XBHQHGVWLCMWJX-XMMPIXPASA-N 447.543 2.057 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)N(C)C 1288672920 GWNQSIXMLJLXSR-ICSRJNTNSA-N 448.575 2.481 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1cccc(F)c1 1298572236 BCRKNPUAIXVPOZ-SFHVURJKSA-N 447.532 2.144 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300275657 XWKFINZTMPUIHD-MOPGFXCFSA-N 441.601 2.488 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1300556238 FVNCAWFVLIHBAP-SXWKCWPCSA-N 430.549 2.193 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300877658 XMJQGLKDDPBGMX-IEZWGBDMSA-N 449.577 2.298 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(OC)CCOC2)C1 1301556838 MVQKFNZUMWRMRN-AUSIDOKSSA-N 428.533 2.464 30 10 IEEE C=C(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1303111417 GXHDZTNJBRDHNG-OAHLLOKOSA-N 447.351 2.132 30 10 IEEE COC(=O)C1([C@]2(O)CCCN(C(=O)CCCOc3ccc(C#N)cc3OC)C2)CCC1 1304139792 WKTMVIRUENOKKI-QHCPKHFHSA-N 430.501 2.423 30 10 IEEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 1309890711 UNNKMZPMGUZBTO-NRFANRHFSA-N 432.567 2.308 30 10 IEEE COc1ccc(CN2CC[C@@H]2CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1312468780 HEOPMBGBQIJTMP-NSHGMRRFSA-N 443.548 2.328 30 10 IEEE C[C@H](NC(=O)NC[C@@]12COCCN1C(=O)COC2)c1ccc(-c2cccc(C#N)c2)cc1 1312479668 LYEZEBCXIRSVJQ-XDHUDOTRSA-N 434.496 2.213 30 10 IEEE COCCCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1316052027 JEEFTHYZGSEQQP-PZJWPPBQSA-N 441.532 2.364 30 10 IEEE COCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(C#N)C2)cn1 1316120875 ZREAVEHBRJJEEV-CNNODRBYSA-N 443.552 2.023 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1316269159 ZISHJTRMZWOIFD-PZJWPPBQSA-N 441.532 2.397 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCOC(F)(F)F)cc1 1316533229 IMVQOOOHOIKABX-UHFFFAOYSA-N 443.451 2.224 30 10 IEEE Cc1cc(=O)c(-c2noc(CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)c2n1CCC2 1324070370 SPWHGIOHDOWVAX-MRXNPFEDSA-N 444.451 2.082 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC(=O)Nc3ccccc32)c1 1351602097 PRWNBAFXFXFOPG-LJQANCHMSA-N 431.492 2.376 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358892610 CSYXYDUIVPTCLM-MJGOQNOKSA-N 431.548 2.223 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1358904099 URHFAGLYLGFMCD-KRWDZBQOSA-N 429.525 2.269 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358962571 SDIZGTHJYGIJNC-LJQANCHMSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1358966728 VOBCORUOOFZXGN-IBGZPJMESA-N 444.605 2.347 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccc(F)cc3F)CC2)CC1 1359028159 IZGDIIOFGCEVQM-UHFFFAOYSA-N 442.514 2.182 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnc(C)s2)CC1 1359037108 WDPBUUNVRNXFCA-UHFFFAOYSA-N 429.500 2.111 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1359209142 BZDAQUVXDQZVPL-OAHLLOKOSA-N 445.593 2.180 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1359214983 QUCHLZDAIWBGQU-LJQANCHMSA-N 440.523 2.226 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOCC2(CC2)C1 1359294347 QYYAEUIRMBZOHL-UHFFFAOYSA-N 433.459 2.466 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1359310429 VWPIOQVAPUJZMS-QGZVFWFLSA-N 440.548 2.193 30 10 IEEE CC(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1359939918 AHEDWAQIXPIGCM-LJQANCHMSA-N 442.589 2.425 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1360486931 IOXQMFZZIBEZAR-CABCVRRESA-N 441.536 2.430 30 10 IEEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)c(C)o1 1360997316 FVIHTECSDGDLEC-FDDCHVKYSA-N 434.500 2.246 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1438199488 UDNNRAHSLJGUKO-MRXNPFEDSA-N 445.317 2.112 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CCS2(=O)=O 1471537851 DYRWOPGNNACZHG-YQSFQRMUSA-N 433.530 2.160 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N1CCCOCC1 1474973846 HVOFYJABAFXJLT-MRXNPFEDSA-N 429.336 2.175 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3cccc(F)c3C#N)CC1)CCO2 1479302283 FEEJSYDWYIHFMS-BXFSZVDSSA-N 430.480 2.030 30 10 IEEE CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499759081 RPYQRBVCLFZCPR-LJQANCHMSA-N 435.532 2.324 30 10 IEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1501045758 HSCZBVMSIDJVRI-PMACEKPBSA-N 442.589 2.314 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C(C)C)N2CCCC2)CCOC1 1502679823 GEENMNNYJWRJHD-BVYCBKJFSA-N 434.560 2.493 30 10 IEEE COCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1505052841 SFBXEOQUMOTAHC-UHFFFAOYSA-N 439.564 2.267 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4CCC[C@@H]43)n2CC(=O)NCC(F)F)cc1 1505317620 AGAQSFQVTWEQPO-WBVHZDCISA-N 430.459 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](OC)[C@@H](C)CC)CC1 1507739251 CYFYTGHLPOLIIK-RXVVDRJESA-N 438.576 2.291 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507755319 MFLGVWKPBHNTNP-JOCHJYFZSA-N 427.574 2.228 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507830887 KVTUYWACYBNCOT-UHFFFAOYSA-N 446.502 2.297 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507957185 LPXTWUAQAFCGFT-UHFFFAOYSA-N 443.470 2.455 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCOCC2)C1 1507966107 UEQIFXXVVGEYMJ-UHFFFAOYSA-N 430.553 2.118 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1508097232 GNONOLWXNJOAQD-PNYFIKQUSA-N 432.613 2.418 30 10 IEEE CC(C)N(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(C)C 1509540006 DWPWPZFKLZRPMT-UHFFFAOYSA-N 439.564 2.174 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(CNC(=O)C(F)(F)F)o3)C2=O)cc1 1515392537 MMGLEEWRHJBAHR-OAHLLOKOSA-N 434.374 2.255 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1516063862 PJCVRUZGDRJPFM-JKSUJKDBSA-N 446.508 2.230 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)C[C@@H]1C 1517709216 HNZCEAXUWFUQMK-KRWDZBQOSA-N 448.531 2.460 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517760442 DNWYACACWSGDLF-SJORKVTESA-N 443.515 2.228 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)c(OC)c1 1518165392 CUXLDBKLVXDBKB-LSDHHAIUSA-N 435.431 2.115 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(F)c(NC(=O)OC)c2)c1 1518825686 JGVYVYZDCRRZCQ-UHFFFAOYSA-N 439.443 2.491 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)C1 1521062617 GCDAHTUXJHURLA-XMSQKQJNSA-N 444.486 2.460 30 10 IEEE CN(CC(=O)Nc1ccc(Br)c(C#N)c1)C1=NS(=O)(=O)c2ccccc21 1524011888 DDSIUFIZWVOYDD-UHFFFAOYSA-N 433.287 2.340 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 1524216359 UTNQWINMNJSWDL-QGZVFWFLSA-N 426.517 2.046 30 10 IEEE COc1ccc(CNC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1526799678 FLEPOUBWILRLOM-INIZCTEOSA-N 440.887 2.006 30 10 IEEE COCCNC(=O)CSc1ccccc1C(=O)N1CCN(c2ccsc2C#N)CC1 1528600779 GTQOPDJRKVFRKK-UHFFFAOYSA-N 444.582 2.437 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)nn1-c1ncccc1Cl 1534592155 UKJUJEKXXYYKBB-UHFFFAOYSA-N 433.715 2.014 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C 1536489298 BAOKCRBNMWZVMF-HZPDHXFCSA-N 426.477 2.316 30 10 IEEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)o1 1537946088 FJDWIDWWRHSEFA-UHFFFAOYSA-N 430.482 2.150 30 10 IEEE Cn1ccn2c(CCNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)nnc2c1=O 1538131565 CCAJUDPBVQJFDW-UHFFFAOYSA-N 428.452 2.259 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C)nn1C 1539397089 XVAPAMKIPNQKTN-UHFFFAOYSA-N 435.532 2.323 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCOCC1 1539563177 IGWHVAQVYHTEDM-HSZRJFAPSA-N 425.581 2.244 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCCC1 1539615704 KQRZOSHJKDQRLC-NXHRZFHOSA-N 425.599 2.496 30 10 IEEE CO[C@@](C)(C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1540747027 ODCWDSDLGGNJOY-QFIPXVFZSA-N 445.495 2.261 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1540864164 RKHUWFFVQUUVOP-YPMHNXCESA-N 425.306 2.143 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCCC[C@H]2C1 1540872236 HNMWLJXIFXPSJV-INIZCTEOSA-N 430.503 2.124 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1540905575 SZNMRLJXLDKKFK-HZPDHXFCSA-N 441.598 2.181 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)CCO1 1541074039 GTPIUZAUCDZDLW-DENIHFKCSA-N 440.573 2.444 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCn2ccnc2C1 1541806122 FKKJSKXNUHWFSB-JKSUJKDBSA-N 438.561 2.467 30 10 IEEE CCOCc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1Cc1ccc(C#N)o1 1548165512 CFBOQHXMIVZFQH-UHFFFAOYSA-N 438.463 2.429 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC2(O)CCOCC2)c1 1554783245 BOKOMNYAXRSQTE-MRXNPFEDSA-N 429.521 2.490 30 10 IEEE COCCCN(c1nnc(C2CCCC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1555489460 LAZUBJHYRZBKIA-KRWDZBQOSA-N 447.561 2.479 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1560023212 QLFCZPGQILUKDD-ZDUSSCGKSA-N 441.532 2.496 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@](C)(CO)[C@@](C)(CO)C2)n(Cc2ccc(F)cc2)c1C 1560064355 GOGAOOZYZZVBJV-PSWAGMNNSA-N 442.535 2.415 30 10 IEEE CN(CCN(C)C(=O)c1c(F)cc(C#N)cc1F)CCN1C(=O)c2ccccc2C1=O 1569932461 QPUSSLIGTSHTPZ-UHFFFAOYSA-N 426.423 2.136 30 10 IEEE CNC(=O)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccc(OC)c(F)c1 1584722367 BBHJZXPWNVWQDL-QRQCRPRQSA-N 435.496 2.117 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1587593460 KSOOUUULCSCTAR-CQSZACIVSA-N 437.953 2.101 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 1587713664 KCFSDYSYALELBO-UHFFFAOYSA-N 428.510 2.422 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCCN3CCC[C@@H]3CO)C2)C1 1588313523 QZIIJSNBQVFPRB-SGIJDJSVSA-N 434.581 2.126 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCCOC)cc2)CC1 1588848655 JXEYORNBBHVSPD-UHFFFAOYSA-N 446.555 2.093 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2)CC1 1588946877 IINMNVIXPSAQQM-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1csc(CC)n1 1589069080 IMBHBQYYFSITCV-AWEZNQCLSA-N 439.632 2.202 30 10 IEEE C=CCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1594774615 LTAPEHRKMRALNC-PXNSSMCTSA-N 426.583 2.300 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595314268 LASCWYYXKKFMSE-DOTOQJQBSA-N 428.924 2.105 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1595529706 DYGXECMLUIQVCK-UHFFFAOYSA-N 438.492 2.304 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)nc2)C1 1595754841 QNICFQIUQYDFOG-ZVDOUQERSA-N 442.564 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1595811863 DULXTDIDRQIUQC-KRWDZBQOSA-N 449.552 2.413 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCn1cc(C#N)c(O)nc1=O 1611098784 CGRFXMJNXVOGIQ-UHFFFAOYSA-N 435.253 2.327 30 10 IEEE CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1612869521 GAGUGQSCYNRXBD-SIKLNZKXSA-N 448.637 2.432 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1613017601 ALZCGMDCNGSSID-OAHLLOKOSA-N 435.575 2.105 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)CC2=O)cc1 1617003321 FVQJTZODAHHYMG-KRWDZBQOSA-N 438.509 2.132 30 10 IEEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1617498578 DFGRYKYECXQUPS-GOSISDBHSA-N 448.618 2.478 30 10 IEEE Cn1cccc1-c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1618443472 JHLKTMJCWSDXDR-LVHCJKAXSA-N 445.474 2.292 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1619854165 IARIPLCNKFULGL-SEPYTNNBSA-N 434.581 2.084 30 10 IEEE Cc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1624985922 CARXCJACTHACDG-UHFFFAOYSA-N 442.365 2.005 30 10 IEEE Cc1ccc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1625892418 DPNPUJKBZCSDIF-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 1626056495 DIWSHUYIBGFTIR-VQTJNVASSA-N 429.498 2.158 30 10 IEEE C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1626889895 MFPUQTUQOXPMQF-HZPDHXFCSA-N 449.573 2.474 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 1632340475 LMMBSKMNAISEBT-INIZCTEOSA-N 448.566 2.225 30 10 IEEE CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1632610639 CXSDGKPKEPKLGZ-ZREAOVPFSA-N 425.485 2.068 30 10 IEEE C=CCN(C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)[C@@H](C)COC 1632751528 DAVJVPXFJVLYDC-HNNXBMFYSA-N 434.562 2.119 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 1636541552 JHSXCZYQAOEJBU-KRWDZBQOSA-N 432.299 2.090 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3cccc(C(=O)OC)c3[nH]2)s1 1637025139 QKYQISCVXUEYNV-UHFFFAOYSA-N 434.499 2.057 30 10 IEEE NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)o1 1639782698 LVWVNAPZUTUOTK-PHDIDXHHSA-N 442.284 2.170 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCN(c2cnnc(O)c2Cl)C1 1640319544 VXGNEYLFGLMTNJ-CQSZACIVSA-N 428.880 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1640745839 RFTOVWJBZAZNRL-MRXNPFEDSA-N 430.480 2.329 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1640917563 HALPWSFVFFQAHI-SFHVURJKSA-N 449.573 2.460 30 10 IEEE COC(=O)c1ccc2c(c1)N(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1644700507 VXAGDBSECLBWSM-UHFFFAOYSA-N 441.509 2.271 30 10 IEEE C=CCC1(O)CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1645771708 AVJBSEPRTZOYBL-HXUWFJFHSA-N 434.558 2.362 30 10 IEEE CN(CCCC(=O)N1CCc2c(sc(N)c2C#N)C1)S(=O)(=O)c1ccc(F)cc1 1646250513 FSZHKOZLOMMFEE-UHFFFAOYSA-N 436.534 2.327 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21 1650930724 GBUCSAWHGGXOEC-CXAGYDPISA-N 436.306 2.225 30 10 IEEE N#Cc1c(F)cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1F 1651200110 RRQQDGOFYONUPU-UHFFFAOYSA-N 438.412 2.378 30 10 IEEE C#CCN(C(=O)c1cc(C)ccc1S(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1651973831 YFUVSPCMZPFNDR-UHFFFAOYSA-N 435.546 2.117 30 10 IEEE Cn1nc(I)cc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1652332231 ROMQYAAAIMGOIX-GFCCVEGCSA-N 436.257 2.008 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC([C@H](O)c3ncc[nH]3)CC2)ccc1Br 1661647130 CBBYNNSUOMTSSC-HNNXBMFYSA-N 425.308 2.178 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 1663714108 UXCZLTAQGLWUJN-PMERELPUSA-N 436.534 2.210 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1C(F)(F)F 1671494981 JMOYTJAYYGCYQK-DGAVXFQQSA-N 448.442 2.128 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](c3ccncc3)C3(CO)CCC3)C2=O)cc1 1672353976 URWOYZPKLOIWIN-SFTDATJTSA-N 433.512 2.257 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CCO2)cc1 1680526242 DNHCMZHLEMKSPU-IFMALSPDSA-N 434.496 2.321 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC[C@@H](O)COCc2ccccc2)C1 1681433389 GSONRGZSRNSXSE-OTWHNJEPSA-N 432.521 2.012 30 10 IEEE C=C[C@H](C)ONC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1682405568 ZTVOOOKIZVGZEB-NSHDSACASA-N 438.369 2.423 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)cc1OC 1683349961 HQXLAYZQOQXGGW-UHFFFAOYSA-N 426.448 2.382 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCN1CC=CCC1 1690092352 FLHVAOZGKIKODI-UHFFFAOYSA-N 436.535 2.441 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690243226 ILQHQCZPUJVPPV-UHOSZYNNSA-N 448.593 2.063 30 10 IEEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1690523506 CWSLYRJRICTBML-UHFFFAOYSA-N 441.517 2.156 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1690524229 CCWCXYNQSWICEE-UHFFFAOYSA-N 428.518 2.041 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1 1690671103 OZRSOHTWRBRFBA-PMACEKPBSA-N 425.533 2.270 30 10 IEEE CC(C)CSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1692454347 NWSUHNYLWAVSPN-HNNXBMFYSA-N 428.628 2.408 30 10 IEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)c(=O)n1C 1693087889 AJLJVWSTIRGECP-UHFFFAOYSA-N 428.500 2.205 30 10 IEEE CCOC1CC(O)(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1696193653 DVNXNCIAUPKEFQ-GLCVTWPJSA-N 425.533 2.479 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1698485067 YOZHZSZCKWTLRQ-JXFKEZNVSA-N 433.509 2.088 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1705480004 NNSFMKYHAVTWHS-ZDUSSCGKSA-N 442.321 2.319 30 10 IEEE C#CCCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705522250 ZCMNVSDTFNTOAK-CVDCTZTESA-N 444.580 2.163 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1705565694 JHPOLNVHSDXEKX-MSOLQXFVSA-N 431.562 2.090 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705569141 ZVPUKORYFHJQJJ-RBUKOAKNSA-N 446.573 2.075 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCS(=O)(=O)c1ccccc1 1705668607 PUDYKVNXMQQVHE-XMSQKQJNSA-N 446.573 2.468 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1705737580 VQOPIWCXUDZQEF-YLJYHZDGSA-N 426.583 2.168 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1705841290 WARAZKFPMMWNDG-UHFFFAOYSA-N 438.532 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCc2sccc2C1 1705909089 MPVZSGNPGWNKCK-LPHOPBHVSA-N 431.562 2.319 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705940014 SLCOOCUKDXEEFY-HOTGVXAUSA-N 441.561 2.092 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1711456015 GSJRFFHLEMKJGW-LJQANCHMSA-N 438.532 2.214 30 10 IEEE COc1ccc(CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1O 1711822070 QZNDWCWXPWJHHY-XUTLUUPISA-N 440.504 2.279 30 10 IEEE COc1ccc(Cl)cc1CN(C)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1711859700 OHOWFWSBAODVHS-VHEBQXMUSA-N 430.896 2.411 30 10 IEEE CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712808899 HIBMXUVPVUNVDI-KRWDZBQOSA-N 440.577 2.245 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CCOCC(F)F)cc1 1712878756 KSJRWCRNALSNBO-SFHVURJKSA-N 446.502 2.257 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OCCC[C@@H]4C3)n2CCOCCCO)cc1 1712880244 BXPQWJNMDAFLLW-TZIWHRDSSA-N 441.532 2.133 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2)CCO1 1712885983 FCKXSSOGEYOJLW-CABCVRRESA-N 432.575 2.284 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1722328035 QHITUZUEKZGVTO-KRWDZBQOSA-N 429.496 2.408 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1722362874 WSRMOLRTBQNPRA-IBGZPJMESA-N 439.541 2.095 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1722430463 HFLBNLQRAPFRAG-XMMPIXPASA-N 447.543 2.174 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCOCC)CC1 1722436063 VOUKYRQWBOTINN-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)OC 1722469024 ZQDMWBPMALTBDH-IIBYNOLFSA-N 431.562 2.222 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722533372 PWKMWCHFKMGHMO-NRFANRHFSA-N 427.549 2.111 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722700960 AKIWRBSOJLGRBF-UHFFFAOYSA-N 428.581 2.152 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722737573 LCIJZZUWCYCOAM-UHFFFAOYSA-N 436.607 2.086 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1723714562 CDJQTUFCEYMYLG-SFHVURJKSA-N 447.561 2.167 30 10 IEEE C[C@H](CN(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)c1nccs1 1723807489 MSFUMGFZDSYVNL-LTRYHMRKSA-N 427.534 2.378 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3OCC[C@H]3C)CC2)c1C#N 1725868714 PYGLMVFSNNLZGZ-VQIMIIECSA-N 426.569 2.142 30 10 IEEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)s1 1726250535 VEUPFGRHFBVAIF-MRXNPFEDSA-N 449.606 2.103 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740581832 HCWKIWCVDCSACC-HNNXBMFYSA-N 427.505 2.051 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@H](C)CC 1740602821 WKZCUSSAIHMTAZ-IIBYNOLFSA-N 433.578 2.062 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1740614689 ANTOJIXUTARPNA-GBESFXJTSA-N 446.596 2.087 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1740691634 LAAKNUOPQKIJSD-UHFFFAOYSA-N 435.532 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)CCC(C)C)CC1 1740704978 ZSPMWQFDUUCDPN-DEOSSOPVSA-N 438.576 2.493 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC(C)(C)C1 1740722545 CFLAGTOKMNHBIS-HSZRJFAPSA-N 430.597 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 1740752760 AJBYRMNCBOVTOK-APWZRJJASA-N 426.477 2.161 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1740777157 OXUFLIJMZOCMQW-HNNXBMFYSA-N 431.545 2.324 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1ccccc1F 1740952098 UQPUOFYFLHAOQH-UHFFFAOYSA-N 437.479 2.393 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1740965713 RSRPJKYOWDRIPK-UHFFFAOYSA-N 425.512 2.215 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740995375 JNNSPTIYGUJOAC-HNNXBMFYSA-N 449.581 2.420 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1741133235 ONHKFIKMWAJPKY-QFBILLFUSA-N 435.507 2.343 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1741133734 UILMFEVGVZNVKE-MJGOQNOKSA-N 443.621 2.469 30 10 IEEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1745674928 DGLWDXRAWGIUDJ-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1746502158 RJWXAMXVXKIMRD-KRWDZBQOSA-N 426.521 2.116 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1747510020 GDAOODIRXVSKHM-UHFFFAOYSA-N 448.618 2.432 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCC2)c1 1748694788 OGBFZLJMVYGGAN-UHFFFAOYSA-N 447.543 2.111 30 10 IEEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748780341 TZCDJNXRSHOQSM-LNLFQRSKSA-N 438.532 2.434 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811130 CCWBCKKQXKRBRS-SFHVURJKSA-N 445.589 2.260 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)s1 1748963019 WLDNVOUPGGUVFG-CQSZACIVSA-N 442.994 2.224 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC 1749600077 PRMMXESKPZSTCA-GOSISDBHSA-N 434.562 2.184 30 10 IEEE C=CCn1c(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749643536 UIKIJUJKWQVQHY-XUWVNRHRSA-N 441.598 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](F)(C#N)C1 1749737995 BVFIJPFHXWBEGK-OAQYLSRUSA-N 442.520 2.324 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749740509 FTYRIMTXGZLTFY-KKSFZXQISA-N 437.610 2.500 30 10 IEEE COCCOCCCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750087428 ANMHYTWEFBQNRG-UHFFFAOYSA-N 449.515 2.318 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1750549856 AIEHNGACAOKOQH-FQEVSTJZSA-N 432.532 2.340 30 10 IEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1750999212 HGXLQWYXIODMIB-PKOBYXMFSA-N 439.520 2.089 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760151894 AFMOCFYDLSZFPD-JOCHJYFZSA-N 443.555 2.411 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C)C1 1760449751 TWSMCJBBOPJNEJ-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)cc1 1760531126 DKNYOGSPCQAIFB-REWPJTCUSA-N 439.516 2.272 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CN(C)C2=O)C1 1760542914 LKZCWTLLTZRNOQ-NYHFZMIOSA-N 431.487 2.407 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)N(C)C)cc1 1762598065 ACOIEJYHHSMDCX-UHFFFAOYSA-N 444.543 2.189 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1)OC 1769236662 AXGNDQSZYYQKES-QGZVFWFLSA-N 438.454 2.162 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccco1 1770044205 YLUGVPNUPNDKJM-QGZVFWFLSA-N 437.504 2.237 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)C1 1771365574 USFRMHZSAWIVIP-HNNXBMFYSA-N 432.550 2.214 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](OS(C)(=O)=O)CN(C(=O)OCc2ccccc2)C1 1848350706 PCJOPKRTWSFBOX-JKSUJKDBSA-N 428.507 2.267 30 10 IEEE CS(=O)(=O)C1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1850400423 YOITZCJJZUBXAZ-UHFFFAOYSA-N 426.542 2.358 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)[C@@H]1c1cccc(F)c1 1850411313 ISOOKMXDPWKZTB-IRLDBZIGSA-N 440.519 2.346 30 10 IEEE N#Cc1cnc(C(=O)N2CCN(Cc3nncn3-c3ccccc3F)CC2)c(Cl)c1 1851624298 CYJJNIJUHPHPPC-UHFFFAOYSA-N 425.855 2.284 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1 1852172281 LIGFEJOZLNOTNJ-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE N#Cc1ccc(CN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c2cnccn2)cc1 1853028026 VSQACMAKSQVPAD-NHCUHLMSSA-N 431.496 2.323 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cc(F)cc(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855735445 LZGCYNRSEIJEEY-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862632391 ZZDVDWLGMSGYSG-CWTRNNRKSA-N 439.420 2.161 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(F)c1 1862749049 PDRODCJSZPGJNB-SFHVURJKSA-N 427.388 2.448 30 10 IEEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869930260 VUKOBDCKNYBIBN-OXQOHEQNSA-N 429.542 2.161 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)OCO4)cc2C1=O 1870142930 OESKNBOJLOLHNS-UHFFFAOYSA-N 444.407 2.124 30 10 IEEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1CCCC1 1870643174 IXXVAOXZSDPNGU-UHFFFAOYSA-N 425.529 2.376 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N(CCOC)CCOC)ncnc21 1873595803 SPDXHNAEDGXMNP-UHFFFAOYSA-N 439.516 2.352 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)cc1 1874241058 NBMPDQMFNLDNCT-SSDVNMTOSA-N 427.486 2.421 30 10 IEEE COc1cc(C)ccc1O[C@H](C)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890261912 UCIXWRKZMRDYOG-OAQYLSRUSA-N 443.588 2.029 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)C1 1891416496 YMZYFTQMWCNVOX-SFHVURJKSA-N 428.514 2.113 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2010229938 ULJAIZWZYFJAGZ-BRWVUGGUSA-N 439.553 2.027 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010549868 LVJHRDNQCNMPIU-SLFFLAALSA-N 428.533 2.105 30 10 IEEE C#CCOCCOCCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2015733199 VZJLHTQQANNXKQ-UYAOXDASSA-N 434.533 2.268 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CCOCC2 2054338491 CQDVEIKWRJXKHO-ZDUSSCGKSA-N 439.372 2.231 30 10 IEEE CC(=NOCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N(C)C)cc1 2059826507 RHPNOULXRZBPEF-UHFFFAOYSA-N 447.513 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2060636504 YQMBMWUDVBQWNL-CABCVRRESA-N 442.337 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2N)[C@H](C#N)C1 2106651476 OWAUXQQNXIDRPS-GFCCVEGCSA-N 445.339 2.165 30 10 IEEE Cc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c(C#CCN)c1 2146010067 KRJNAXZUGOGVJO-UHFFFAOYSA-N 425.510 2.123 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773389 JDUFNNKUXHEQBZ-TZMCWYRMSA-N 437.371 2.475 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2255632491 NNVHNRYARNWKFU-HNNXBMFYSA-N 434.346 2.084 30 10 IEEE CCn1cc(C(=O)NCCCN(C)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255651792 ZWBXCBUOHXOLDB-UHFFFAOYSA-N 426.370 2.454 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255703378 RIFNASPJMKEXST-VXGBXAGGSA-N 430.232 2.108 30 10 IEEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256614880 PVWOXOADYOGSDB-QGZVFWFLSA-N 434.342 2.372 30 10 IEEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256677451 XDYXQZIJDDXNIZ-OAQYLSRUSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256736774 HLRQJZZHTFJSBU-WOSRLPQWSA-N 449.382 2.314 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cccnc2NC(=O)OC(C)(C)C)n1 2267113825 ZKVWWGNQYNDLEA-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE CCn1cc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267179948 AOOSAEOFDDATSV-OAHLLOKOSA-N 448.373 2.189 30 10 IEEE C=CC1(NC(=O)c2cn(CC)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267491243 ALPQQIUZPGQDME-UHFFFAOYSA-N 446.357 2.108 30 10 IEEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267514123 UVEJVXKVUYDARL-CABCVRRESA-N 448.373 2.155 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267593463 LDQAZHZTYBOHCX-MSOLQXFVSA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2269008249 UGFBTJGWJKEEJM-IRXDYDNUSA-N 449.332 2.344 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CSCCS2)OC1(C)C 2282510760 DKHNSDPVYQBNQZ-ZDUSSCGKSA-N 435.467 2.315 30 10 IEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1C 2296927104 RKNKUMHUEZQFGF-LJQANCHMSA-N 440.500 2.187 30 10 IEEE NC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1ccc2c(c1)OCCO2 2329652934 KLCPGCHADJQOOC-UHFFFAOYSA-N 429.527 2.356 30 10 IEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C2CC2)cc(Br)c1O 2331736582 JBCBUUMBLFIVBO-UHFFFAOYSA-N 426.296 2.092 30 10 IEEE CC(C)(C)OC(=O)N1C[C@](NCCC#CBr)(C(=O)O)C[C@]2(CCCO2)C1 2349189875 XAMGWWGQBYVRLQ-MSOLQXFVSA-N 431.327 2.335 30 10 IEEE CC(C)(C#C[C@@H](NN)c1ccc(I)c(Cl)c1)S(C)(=O)=O 2365195947 GZWBMABQFNQFFB-GFCCVEGCSA-N 426.707 2.276 30 10 IEEE N#Cc1ccccc1OCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 13705820 FDGKKVIMEBLTMZ-UHFFFAOYSA-N 432.415 2.376 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc(OC)c(OC)c3)n2N)cc1 20292743 XUXAPZVEPBXSBN-SSDVNMTOSA-N 442.501 2.439 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3Cl)n2N)cn1 20920499 CTCZIYOJAZCEGH-QPJQQBGISA-N 447.956 2.277 30 10 IEEE CCNC(=O)[C@@]1(OCc2ccc(C#N)cc2)C[C@H](OCc2ccc(F)cc2)[C@H](O)[C@H](O)C1 37423379 HXEGDFXFJJASAD-GBAAUQCPSA-N 442.487 2.190 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 463008125 GHOVVDPJKVXGCW-UHFFFAOYSA-N 442.541 2.456 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 478224536 UWRZPDXBUCBGJY-QGZVFWFLSA-N 439.482 2.391 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489686390 CPMQHJVHPPCQRF-IBGZPJMESA-N 448.932 2.136 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)cc1 500632026 VQXOSUQEKNAOPQ-VQTJNVASSA-N 428.510 2.180 30 10 IEEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508683903 SWBCSHGYPKNLSN-UHFFFAOYSA-N 437.566 2.218 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 508829122 RYFBWGINGBXKHD-MRXNPFEDSA-N 432.912 2.456 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(F)cc3F)c2=O)CC1 523305877 QBZJUJFKHHJDDV-UHFFFAOYSA-N 443.519 2.327 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)cc1 523859274 HEONMXXTMJMCJH-UHFFFAOYSA-N 445.544 2.428 30 10 IEEE CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cnc2c1c(=O)n(C)c(=O)n2C 533151278 FJORCQLJZLEDQZ-CQSZACIVSA-N 446.492 2.203 30 10 IEEE CN1CCN(C(=O)CC2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)CC1 533513734 VHUHMUDIPMWVHK-UHFFFAOYSA-N 443.617 2.313 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 543351357 YWWDGFGDDIBABI-YOFSQIOKSA-N 427.549 2.358 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1 549197226 PDCLCAIMJPKQTK-UHFFFAOYSA-N 432.502 2.491 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CC)CC1 549352714 WVRFVEZHBYMUBI-UHFFFAOYSA-N 439.383 2.213 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(CCc4ccco4)n3C[C@@H]3CCOC3)CC2)n1 559215301 YLGVRKCKUUDQFK-SFHVURJKSA-N 433.516 2.286 30 10 IEEE CN1CCC(Oc2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 569337078 ANLBKEZARAKKBH-UHFFFAOYSA-N 434.544 2.458 30 10 IEEE COc1cc(CNC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)ccc1C#N 583433609 OERFREAIZUDELI-UHFFFAOYSA-N 434.500 2.342 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)F)CC1 584125936 IFXSSFRTIKAGCU-UHFFFAOYSA-N 425.505 2.312 30 10 IEEE COc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2)c1=O 603792178 IFUWMSWWXCRDBY-UHFFFAOYSA-N 431.517 2.033 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCCS(C)(=O)=O 607159053 WRRYFCZNPSWWEA-UHFFFAOYSA-N 428.345 2.341 30 10 IEEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 669814565 KYBSIWQZGCKACH-SFHVURJKSA-N 427.534 2.275 30 10 IEEE C=CCNC(=O)COC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730303384 BPLUOZJJTROBGF-HNNXBMFYSA-N 426.922 2.244 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2C1=O 731502399 MDZDJRNYCDLKOP-GOSISDBHSA-N 435.392 2.339 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Cl)ccc1I 731862227 ARKXURSNPAHUQL-SQFISAMPSA-N 445.644 2.201 30 10 IEEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2nccn2Cc2ccccc2)cc1 734095225 MAMILVXQSIKYEB-ZHACJKMWSA-N 425.466 2.190 30 10 IEEE CN(CCCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1C#N)S(C)(=O)=O 741155902 ODWFQBXXCBIRPY-UHFFFAOYSA-N 430.559 2.336 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)CC(F)(F)F 744154196 GRGXBFOMVGVAPE-AWEZNQCLSA-N 435.468 2.177 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 746620570 OOUDXNFKRCNBRM-SECBINFHSA-N 427.891 2.413 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](OC(=O)CCC(=O)N2CCOc3ccccc32)C1=O 751661550 AAQSSYZFXLSDSO-QGZVFWFLSA-N 425.466 2.474 30 10 IEEE CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760388041 KKZMYRGPAZQQRT-SFHVURJKSA-N 434.562 2.430 30 10 IEEE CCCNC(=O)CSc1nn(CN2CCN(c3cccc(C#N)n3)CC2)c(=S)s1 760552818 SJCDZDBBOOYTRF-UHFFFAOYSA-N 449.631 2.339 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(C)cc2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 764994113 HHLDPXHGOZBTSG-UHFFFAOYSA-N 443.528 2.258 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CCN1C1CC1 765795128 LJCRORTXNDAXGK-CQSZACIVSA-N 426.214 2.012 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)Cn1c(O)nc2ccccc2c1=O 769720087 LZVYXHPQUWENLV-UHFFFAOYSA-N 430.214 2.350 30 10 IEEE COc1ccc(CNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1C#N 773397937 VCFOQPZEEVVMCN-UHFFFAOYSA-N 432.477 2.245 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ncccc2S(C)(=O)=O)C1=O 782886359 LPWIEKNFIDDGEH-INIZCTEOSA-N 446.554 2.061 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3coc(C4CCCCC4)n3)CC2)o1 786425865 YCUIBGPNDOYQER-UHFFFAOYSA-N 427.461 2.396 30 10 IEEE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 787057336 VJZNZEHHMQXZLN-LEWJYISDSA-N 434.452 2.456 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)ccc2c1=O 787691757 LDEIOWVTLSBFGN-GZWBLFMQSA-N 435.549 2.110 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 790528836 ZDKLBQGNRRSUFO-NLFFAJNJSA-N 447.491 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](c2cccnc2)C1 800168212 VJQIWQJBHICRJB-SFHVURJKSA-N 429.502 2.331 30 10 IEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOC)[C@H]1CCS(=O)(=O)C1 812064530 CCPDMVJXSWIRAF-KRWDZBQOSA-N 439.541 2.075 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812387078 IKQVTLASTWLRGG-PKOBYXMFSA-N 448.976 2.186 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 856433865 HELKSDLZEGYPKN-AWEZNQCLSA-N 445.497 2.293 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)Nc2ccccc2)C1 916898366 AKGRQEKBNAVBPN-WBVHZDCISA-N 430.486 2.040 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2=O)cc1 917016926 FZYMBTNCGJJYJH-XLIONFOSSA-N 432.480 2.397 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c(C#N)c1 917733315 JSSFJJNSQMWCSO-UHFFFAOYSA-N 425.919 2.213 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)cc1OC 1084580624 VKJZTOOQSNDVIQ-UHFFFAOYSA-N 427.490 2.215 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)c1O 1084591182 DLTIBMYFMSLJBM-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCCSCc2ccccc2C#N)C1=O 1124659894 BVEWDGGOBKIYCF-SFHVURJKSA-N 431.558 2.488 30 10 IEEE C=CCC1(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CCCC1 1127604348 SGTWFJHTTFKSJC-UHFFFAOYSA-N 444.575 2.044 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N(CCC#N)Cc2cccnc2)C1=O 1142410223 GWEPMNJCOLAZBE-GOSISDBHSA-N 429.521 2.087 30 10 IEEE CCOC(=O)[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@H](O)c1cccnc1 1151408773 XRBKFEVKXVAZSN-RTBURBONSA-N 428.514 2.147 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CCOCC1 1214355340 ZVBHKVUUNLAYTA-IRXDYDNUSA-N 435.546 2.179 30 10 IEEE N#Cc1cn(CCNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(=O)nc1O 1222313942 GXGQVEFNBUVSQD-UWVGGRQHSA-N 441.332 2.029 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cc2)CC1 1246382832 RLMYYGLARYQFKF-OAQYLSRUSA-N 433.560 2.491 30 10 IEEE C#CCN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1265209370 AVNYYUIFHAQXTN-MRXNPFEDSA-N 445.317 2.129 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1286364746 HXHYZPSTNLOMQM-QGZVFWFLSA-N 443.548 2.009 30 10 IEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1286395617 SEEPCIHCWJAWHU-YLJYHZDGSA-N 442.541 2.384 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286396979 ZNLYVOIXGQJFHB-ROUUACIJSA-N 434.537 2.464 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(C(N)=O)CCOCC1 1286400102 WDTFTCWEIUCZRB-FQEVSTJZSA-N 449.555 2.390 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@](C)(CC)O1 1286462660 QHODKXAXWDGGFD-AOMKIAJQSA-N 429.521 2.440 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCC1CCOCC1 1286462729 SVCGNMAJZFQMDU-UHFFFAOYSA-N 429.521 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(COC)CCOCC2)CC1 1286487319 UMFLOVQQWNYFFU-GOSISDBHSA-N 431.581 2.201 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286705809 FUAZGCXBUCJJCK-UHFFFAOYSA-N 439.564 2.131 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286709324 QHTQTEQHJLHMMQ-UHFFFAOYSA-N 436.520 2.058 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1286801906 KARKEVQZVRBRAL-HXUWFJFHSA-N 441.557 2.423 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](COC)C1 1286834066 YXBWGGZADWKOQI-SFHVURJKSA-N 428.562 2.287 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)OCC 1287776033 HTNLOQIVBDQSOM-MSOLQXFVSA-N 442.965 2.419 30 10 IEEE CCOc1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1296828679 CUNOGFLUROQJIE-NZQKXSOJSA-N 441.532 2.494 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298535473 FNPHADHCUXCJIB-LQTLECTNSA-N 436.516 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1300304960 RDFAEGONOMILLK-ZWKOTPCHSA-N 449.559 2.409 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1300339284 LLZOTRCKSZBGIC-ZWKOTPCHSA-N 436.626 2.002 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1300587336 SFOTVJRJCVKXQD-IBGZPJMESA-N 440.569 2.165 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1301004166 UMQAWFSUEDHQEI-IHPCNDPISA-N 425.533 2.430 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CC(OCC)C2)CC1 1301106202 RHRKLPOWRKZIPT-FAEJEUNOSA-N 425.599 2.496 30 10 IEEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1301228687 VCLXTTNKBXLHIR-LPHOPBHVSA-N 430.509 2.315 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1301399439 NCBPXSVDBZLRRE-LJQANCHMSA-N 440.573 2.348 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(CC)s2)C1 1301535616 MNZSYHDEAHHCGR-CQSZACIVSA-N 440.533 2.169 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1301971570 NTYDKSVSKFQEJJ-ZOCZFRKYSA-N 444.561 2.204 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc([C@@H](C)CC)cc3)CC2)C1 1313281997 KBNFUOKTXCUCCF-FPOVZHCZSA-N 446.617 2.314 30 10 IEEE CCN(CCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1)CCC(F)(F)F 1313804297 DZSGRFKXONCUBM-UHFFFAOYSA-N 436.486 2.454 30 10 IEEE CN(C)C(=O)CCCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314630983 IWLASXHNUSDTON-UHFFFAOYSA-N 437.548 2.414 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1316527669 NOVBNCSKXYLXKH-TWOQFEAHSA-N 442.486 2.318 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2Cc2ccc(C(N)=O)nc2)cc1 1316529642 BFBAQFIBQWEICU-UHFFFAOYSA-N 431.500 2.100 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(=O)(=O)CC 1358882073 SKUKTKJVAMFIEK-MRXNPFEDSA-N 426.546 2.281 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960368 CUCHSLGMSYHYSK-SKINQDTJSA-N 443.573 2.172 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1=CCCOC1 1359012709 WHKFWMZFFIJOKI-UHFFFAOYSA-N 434.588 2.449 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359224727 APZZTKKYNKOAGN-LJQANCHMSA-N 441.580 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1359298285 UJNOUNRVCFAMOR-SFHVURJKSA-N 441.923 2.212 30 10 IEEE CC1(C)CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1360824762 PYRBPDBLOITBGO-GWOGKKTRSA-N 446.577 2.378 30 10 IEEE CC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1360841920 MQKIKIVMVBRBGB-JKSUJKDBSA-N 432.525 2.115 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1436893283 ASUVDDIRFFJFCR-DMZKTXOQSA-N 425.489 2.101 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)ccc1F 1450036335 YVCFBZKBWVHBRJ-UHFFFAOYSA-N 445.472 2.063 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(C#N)c(F)c1)n2C 1460905518 DXEPOIQDKRMKJX-UHFFFAOYSA-N 443.504 2.083 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1B1OC(C)(C)C(C)(C)O1 1466101060 DKYCXXBUKNCSFZ-LJQANCHMSA-N 449.316 2.297 30 10 IEEE CN(C)S(=O)(=O)N[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)C1CCCC1 1468896017 FCFBIAMCBHNTHG-HXUWFJFHSA-N 432.590 2.441 30 10 IEEE C=CCn1cc(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)nn1 1469215562 DZTAMVQYQHNUQU-UHFFFAOYSA-N 431.452 2.204 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)CCC[C@@H]12 1471750819 DMQIZBKHZDRBJB-AKXBSKNESA-N 432.521 2.199 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c(C#N)cn1CC 1476760265 BRWKNTCGXJWVNR-UHFFFAOYSA-N 439.472 2.252 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1492359241 HQJQMWXTVQIHSG-LAUBAEHRSA-N 447.536 2.432 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1503277341 JYNUTCBIBUSBAA-UHFFFAOYSA-N 436.607 2.390 30 10 IEEE COc1cc(C)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1504063862 DVGIUSLGEZZSTM-QGZVFWFLSA-N 433.472 2.020 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCCCCO)cc1 1505319007 PKPFDWRWFOQSQD-QHCPKHFHSA-N 438.532 2.140 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1507623189 PNNVJBQVXUSBAM-DLBZAZTESA-N 428.558 2.379 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCC(F)(F)F 1507704008 MDWYXSWTGZZZCV-UHFFFAOYSA-N 429.830 2.363 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1507725150 PTVFIQLZQUBXHD-GOSISDBHSA-N 427.553 2.189 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)cc2OC)CC1 1507725404 VGJCRLUXNZURJS-UHFFFAOYSA-N 425.924 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OC)c2)CC1 1507739084 MHORUINPUJGKSR-HXUWFJFHSA-N 437.544 2.195 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(CC)CCC)CC1 1507740097 XJOYUJJOCSYXAM-HXUWFJFHSA-N 430.597 2.217 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507775041 GYDNIKKURHCWKF-HNNXBMFYSA-N 425.375 2.053 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507848034 UCNKVYIKFOMBAI-WOJBJXKFSA-N 430.553 2.117 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1507917186 ZAYDBMZDFOBORI-HOTGVXAUSA-N 443.639 2.155 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21)C1CC1 1507988432 SFCNPVHJGFEJOV-CVEARBPZSA-N 433.582 2.126 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CC)n1CCS(=O)(=O)N1CCSCC1 1508007768 IAEDCWCSRRNWIE-UHFFFAOYSA-N 441.648 2.473 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCOCC2)C1 1508112982 TVEJZLUFAQIMAQ-KRWDZBQOSA-N 429.496 2.114 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccc(C)c1 1508143351 YCIFWZPWJBEBLF-MOPGFXCFSA-N 443.573 2.480 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1508545460 AFCSKFBKXWQKGQ-NRTINQSCSA-N 428.537 2.008 30 10 IEEE CC(C)CSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509497647 ZDKLWBQWANVSPT-SFHVURJKSA-N 431.610 2.080 30 10 IEEE Cc1nnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 1511756129 ZNZMRKFDWCRFGQ-KDOFPFPSSA-N 439.545 2.339 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCC[C@](C)(C#N)C2)CC1 1515902953 SHNIBXDCKKCBSD-ZRCGQRJVSA-N 447.628 2.158 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-n3cnnc3)cc2)cc1 1516306578 DZTPXIXJABGGRW-LKUDQCMESA-N 438.513 2.261 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1516420668 SQFZRPVZJACROP-XXBNENTESA-N 438.532 2.212 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)N1CCOCC1 1518001012 HGUCCFIZMPVXFF-CQSZACIVSA-N 432.912 2.204 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1519515904 FYWAIQIOSGDHPN-HXUWFJFHSA-N 428.493 2.084 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H]1c1nccn1C 1526344105 RFXXYIWBLCPMRF-OALUTQOASA-N 425.489 2.396 30 10 IEEE CCOC(=O)c1ccc(I)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 1532448167 DRNSDFPQFOYFPM-VIFPVBQESA-N 439.213 2.131 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1 1539177999 DEBZNYBHPZLVHD-KURKYZTESA-N 433.553 2.207 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1539216038 MWPUKEXFAZLMDQ-GOSISDBHSA-N 439.541 2.347 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1csc([C@H](C)OC)n1 1539237384 CNGZORZVQPMZFU-KKSFZXQISA-N 429.546 2.215 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539454524 RCDJHACNKFPVOY-QFIPXVFZSA-N 428.625 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539637857 UAWKVNJASDIRPV-QRFRQXIXSA-N 433.578 2.114 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1 1539729824 SPCJOQNQDMWVNU-KRWDZBQOSA-N 434.562 2.414 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539984690 AAZRGWSWSGGQNL-OAQYLSRUSA-N 429.546 2.174 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1540095173 XVRPRCZBVMPTJD-VLIAUNLRSA-N 437.566 2.161 30 10 IEEE N#Cc1c(CCCNC(=O)c2ccc(Cn3ccnn3)cc2)nn(-c2ccccc2)c1N 1540714203 SAPCWCCWDFLZBK-UHFFFAOYSA-N 426.484 2.329 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1540864140 QHFZBGBUWKHJIK-HXUWFJFHSA-N 446.559 2.239 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NC)CC1 1540881034 XEPDBFCBSTVVOB-LJQANCHMSA-N 425.533 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 1540903877 JINVSKRATKYCER-UHFFFAOYSA-N 432.594 2.173 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1542354394 DIWFWBADNSIMLR-GOSISDBHSA-N 431.508 2.236 30 10 IEEE Cc1nnc(N(C)C2CCN(Cc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543133953 FKTXKYVJABKWEJ-GHVJWSGMSA-N 449.559 2.214 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 1544536625 RPPIXDDLTCJBIJ-IBGZPJMESA-N 431.508 2.346 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1547899867 FMAYWUOSEFDEIH-PKTZIBPZSA-N 440.548 2.290 30 10 IEEE C#C[C@@](C)(CC)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1556664198 IHFBSNBSXXUUPP-KRWDZBQOSA-N 447.326 2.141 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1557720799 DVMYZGXHBHAASA-QRVDHSFSSA-N 446.429 2.167 30 10 IEEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1565056667 YIRNRNXOGAHHNI-IBGZPJMESA-N 437.592 2.210 30 10 IEEE CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1565657324 NSXMPNICFACEBZ-BRWVUGGUSA-N 441.594 2.445 30 10 IEEE N#Cc1cc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)ccn1 1568543891 PGGAKQXMONIXFM-UHFFFAOYSA-N 435.303 2.086 30 10 IEEE Cn1ncc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1I 1585091098 XAQFXPMPQREGDY-UHFFFAOYSA-N 449.296 2.291 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1 1585691834 CUUKLFNPJPNSKY-VGSWGCGISA-N 447.557 2.118 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587615812 YVMIRCAVEIIHCC-DLBZAZTESA-N 440.573 2.176 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1587782764 BPNBKAPFSUVWBH-IRXDYDNUSA-N 440.573 2.321 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1587798365 IHIBAGVMRCAZEA-BDTNDASRSA-N 444.624 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCCC1 1588124492 MSONZKJFMBPHID-UHFFFAOYSA-N 444.539 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(C)C 1588193678 IPPACUSDNHPJDV-UHFFFAOYSA-N 427.574 2.152 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1589404899 NFRKNARXOIUDQO-VQIMIIECSA-N 440.386 2.382 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C 1589581221 QMJDXEHBDPEBMA-QFBILLFUSA-N 427.553 2.144 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnccn1 1595497130 QPDVTFSIYLHAEE-UHFFFAOYSA-N 429.431 2.275 30 10 IEEE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)NCC#C[C@@H]1CCCCO1 1606801052 CDSFQMIFEXSYIY-RDPSFJRHSA-N 445.519 2.189 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1611292439 NMMMGDWUXRTYLW-AEFFLSMTSA-N 447.561 2.283 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CCO1 1611792021 KHWWUQVKKGJVAX-UHFFFAOYSA-N 441.513 2.477 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1615093545 PASHTQBWDZCOJG-FQEVSTJZSA-N 447.547 2.345 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCc3ncn(C)n3)C[C@@H]1C)C2=O 1615243351 DJTPFHFSUHHWKX-MQJDWESPSA-N 446.891 2.125 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)c1OC 1616488617 RAGGALPUOIBZIR-JTQLQIEISA-N 429.907 2.369 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCC(=O)NC1CC1 1616915874 GNWTYAXYWNVGNS-UHFFFAOYSA-N 437.548 2.072 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1=O 1617541127 WWZBWRIJGILBSS-UHFFFAOYSA-N 428.514 2.086 30 10 IEEE COc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)n1 1619069881 FFFDEUIESTVTBY-UHFFFAOYSA-N 448.531 2.021 30 10 IEEE C[C@H](NC(=O)[C@@H](C)N1CCC(c2ccc(C#N)cn2)CC1)c1ccc(S(N)(=O)=O)cc1 1620449822 BHLLYCANNAUBBS-JKSUJKDBSA-N 441.557 2.046 30 10 IEEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)C1CCOCC1 1622379656 FVHSTJQANQRQHV-HLAWJBBLSA-N 434.558 2.429 30 10 IEEE CC(C)(C)C(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1624101973 ZTMYIZKNRXUJQK-UHFFFAOYSA-N 433.350 2.474 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(=O)OCC)C[C@H]3CCCN3CC)cc2C1=O 1625501690 BATFJEBWKTUMDE-GOSISDBHSA-N 441.528 2.348 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCc2cc(C#N)ccc2F)cc1 1628775630 HCGKGGYUEGZXJB-WIYYLYMNSA-N 445.516 2.261 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1631843956 KGSUTDJIRVNAMU-MRXNPFEDSA-N 427.258 2.252 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 1634430063 CCNGMJRRCHCZSG-GOSISDBHSA-N 435.471 2.442 30 10 IEEE C#CCN(CC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3)C(=O)OC(C)(C)C 1634924378 SGFJHJCINBVBQY-VGWMRTNUSA-N 443.466 2.114 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC[C@@H](N(C)c3cccc(C#N)c3)C1)C2=O 1640218434 GCNULPJXPMIUQP-JJLPPOTMSA-N 437.544 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1640745838 RFTOVWJBZAZNRL-INIZCTEOSA-N 430.480 2.329 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1640896421 LHUQVYQWSWGZCK-FGTMMUONSA-N 442.541 2.182 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 1640935050 KGXKRWXJZFIAFB-GOEBONIOSA-N 438.322 2.207 30 10 IEEE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1644614449 FYXSWNOBICLSDG-UHFFFAOYSA-N 434.460 2.100 30 10 IEEE N#CC1(CCCCN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCC1 1644855624 IOIPFVSADKHNHY-UHFFFAOYSA-N 432.546 2.188 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nn(C)cc1C(F)F 1648956038 KKXVLEFASOOXEI-CQSZACIVSA-N 439.488 2.127 30 10 IEEE O=C(c1cn(C(F)(F)CO)nn1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039630 QRVAGQTXNCXJTC-OLQVQODUSA-N 444.229 2.063 30 10 IEEE C#CCN(Cc1ccccc1)Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1 1658571663 JWFPYWVACZZQEO-UHFFFAOYSA-N 439.493 2.122 30 10 IEEE CCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)c1 1665380727 AWEFRHXBYLLRRC-UHFFFAOYSA-N 433.555 2.299 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 1667887337 ICACJMSLYCVYKA-UHFFFAOYSA-N 426.482 2.398 30 10 IEEE CCc1nc(CN2CCC(CNC(=O)N3CCC(C#N)(C(=O)OC)CC3)CC2)cs1 1668968146 DZVPLDLENBJTPH-UHFFFAOYSA-N 433.578 2.406 30 10 IEEE C#CCC1(NC(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)CCOCC1 1678733643 XTEUUYPEYSAATA-UHFFFAOYSA-N 427.592 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)C1 1681434916 RTWHZGRVBLYVED-IKGGRYGDSA-N 426.521 2.335 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)nn1 1683483039 KWCPHKCOVJWMNP-UHFFFAOYSA-N 437.317 2.393 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c(=O)nc1O 1685660162 BHCDNHJGYMYPHL-UHFFFAOYSA-N 448.213 2.228 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(=O)NCC)cc1 1689868583 LGUIYNJQFBGOOJ-UXPWSPDFSA-N 425.533 2.258 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCN2CCCC2)c1 1689872480 ZPEDTBUQCJOMQS-UHFFFAOYSA-N 443.555 2.416 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1689901673 OFJAGKBUYHWJJA-FGZHOGPDSA-N 439.608 2.490 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1689904222 OPBFBAFWPVXZOL-KRWDZBQOSA-N 426.496 2.356 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1689994423 XWYSLXPBSYXHRX-IBGZPJMESA-N 440.573 2.189 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCN(CC)C2)CC1 1690134663 AKIPSLNQQHVVDA-NJDAHSKKSA-N 428.625 2.294 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1690715536 NSSSDCNIZWQEPE-SJORKVTESA-N 447.609 2.314 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705512621 JDXBZTZCWTZSJP-FQEVSTJZSA-N 445.527 2.387 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1705524398 LCKFEJPDEDLABM-XBMUEBEBSA-N 436.626 2.002 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC 1705583108 QEAJULULFJVPFW-GOSISDBHSA-N 431.537 2.086 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705654473 JVMMBOCIAWGPAK-IBGZPJMESA-N 435.557 2.223 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC)CC1 1705896039 AEKAGIXNTDAJPS-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE CC(C)(C)Cc1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706144555 TXBRRQMBPALQHC-HNENSFHCSA-N 428.537 2.010 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1710835317 ZHSLBFXVEJEAMR-IBGZPJMESA-N 426.521 2.118 30 10 IEEE Cn1cc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CCO2)cn1 1711253568 UAPQRXNKHVSFOH-SFHVURJKSA-N 443.458 2.410 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)c1 1711913587 YJZMELJIXGRHFE-IBGZPJMESA-N 441.513 2.480 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1CCN(C(C)=O)CC1 1712531628 UXBJDPXESMTNPZ-KRWDZBQOSA-N 432.569 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1cc(F)ccc1N1CCOCC1 1722377836 KPSUYVVZTVAZKB-UHFFFAOYSA-N 430.487 2.437 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1722381342 ONRFSKCHZACVGC-FGZHOGPDSA-N 430.556 2.213 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722384276 RUDJYJNPPIYHGV-IBGZPJMESA-N 439.947 2.090 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1722419826 CSBNTWPDLLTIDH-LJQANCHMSA-N 446.548 2.386 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCn2cc(CO)nn2)CC1 1722569495 BYCWCOJOISDYHJ-UHFFFAOYSA-N 427.484 2.327 30 10 IEEE C=CCCOCCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1722627920 SYIIAFAGUQIXSN-KRWDZBQOSA-N 427.615 2.276 30 10 IEEE C=CCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722689647 ZWWOPKRDOAZOID-IBGZPJMESA-N 445.486 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722693733 YRXOILBXEDHIIC-AEFFLSMTSA-N 426.477 2.161 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OCC)CCOC1 1722707981 FPFUCWVIIZAVHS-QFIPXVFZSA-N 446.573 2.112 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1=O 1723454668 DHFFITXKGQCIRT-OAQYLSRUSA-N 435.576 2.462 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1724625067 IHFBKGQHZFLOSK-GHVJWSGMSA-N 445.527 2.444 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1726738274 AURUVGYWNBBLMQ-ITZAQCPESA-N 442.907 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(F)(F)F)nc1 1740556716 FSQCEIJWLPNEEC-CQSZACIVSA-N 436.438 2.243 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1740579059 KEKIBWUPOAQRNO-UHFFFAOYSA-N 431.928 2.321 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(C(N)=O)CCOCC1 1740599514 CCLHXLKXWRLSKA-SFHVURJKSA-N 425.533 2.386 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cccn2)cc1 1740629419 MTYXOXAJTDDQBK-UHFFFAOYSA-N 436.479 2.232 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2ccccc21 1740646187 RPYVGLFOTXTZQZ-QUCCMNQESA-N 439.585 2.471 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740721376 HDAWBVIJCRJQCR-GOSISDBHSA-N 440.573 2.054 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 1740763836 QNMBTXKGRQIEPW-GHTZIAJQSA-N 430.597 2.302 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740795694 ANFVWHLZTJGKSI-LJQANCHMSA-N 425.533 2.303 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCNS(C)(=O)=O 1740895300 FDOZYROOWGDLAW-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC[C@H](C)C2)C1 1740983839 QURIDBUUTDPBBH-SLFFLAALSA-N 430.597 2.302 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)NCC1CC1 1741170221 COTZGSWULIFZQH-UHFFFAOYSA-N 439.539 2.439 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1741795751 BNLBCALJELXYMR-SFHVURJKSA-N 449.559 2.423 30 10 IEEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)n1 1748030895 GRCNZZLOOYJUNV-UHFFFAOYSA-N 436.520 2.317 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 1748979236 XTKFXWMCTAFHFO-WOJBJXKFSA-N 436.560 2.069 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCc2ccccc2)CC1 1749226907 ULLZKXQASDIIBD-OAQYLSRUSA-N 438.576 2.187 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1749738736 WCZQIXVJBUWZRP-QGZVFWFLSA-N 429.546 2.176 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1751690463 GNBKAZQFWRLZGA-FCHUYYIVSA-N 438.576 2.143 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1752582231 CAXVKPSQBPDTBH-DNVCBOLYSA-N 426.569 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1760095998 DHAMYSMFXIGKBE-QZTJIDSGSA-N 443.573 2.430 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)[C@@H](C)CC 1760102104 FEOZKOXNUFEWEY-ROUUACIJSA-N 446.621 2.384 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccn1C(F)F 1760111397 ZSVYIOGGTNIVSG-CYBMUJFWSA-N 448.503 2.336 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760160983 IANKIWUJNAUBAJ-LJQANCHMSA-N 425.508 2.226 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1760239186 ZASYTGLBPVKSSM-SFHVURJKSA-N 434.585 2.388 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N3CCCC3)nc2)n1 1760252216 LDFOTDVFAAUTGC-UHFFFAOYSA-N 434.548 2.113 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1760477529 CLUBAKMWAOXXKJ-CVDCTZTESA-N 441.532 2.236 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1760515031 JRYMPRJHJAPPKT-QGZVFWFLSA-N 447.543 2.066 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O 1761074549 AEYLSMSXOFNZRC-QFIPXVFZSA-N 438.536 2.170 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1767287464 FUHALQONPGKREZ-UHFFFAOYSA-N 434.573 2.334 30 10 IEEE Cc1cc(F)ccc1N1C[C@@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1850662841 NTXBLQCTCXQLHM-IBGZPJMESA-N 440.519 2.488 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c(C)c1 1852373944 PPLOSVGHPRWDKW-MRXNPFEDSA-N 439.541 2.484 30 10 IEEE COc1ccc(-c2nn(-c3cccc(C(=O)O)c3)cc2/C=N\NC(N)=S)c(OC)c1 1857807278 ZEAHFVGZMZGSHL-YVNNLAQVSA-N 425.470 2.422 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC=C)c(CN(C)C)cc2=O)nc1C 1870323142 ISTZZMNBMVVOTC-UHFFFAOYSA-N 446.529 2.221 30 10 IEEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873593274 LQRLVEWZHPJJBI-INIZCTEOSA-N 438.507 2.194 30 10 IEEE CCN[C@H](C#N)CCn1c(C)nc(I)c1I 1936399975 QUBXUGXXOMLJMG-QMMMGPOBSA-N 444.058 2.293 30 10 IEEE CC(C)(C#CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)NC(=O)OC(C)(C)C 2023918669 WOKXIFZMOUGTHF-HZPDHXFCSA-N 439.553 2.027 30 10 IEEE CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 2040804330 DHYNBKSMIBLBNU-UHFFFAOYSA-N 429.498 2.452 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060639567 JOBIVIQZSVOUFO-UHFFFAOYSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060639859 MUXBDWUKPWGTON-WBVHZDCISA-N 436.358 2.394 30 10 IEEE C=CCn1ncc(NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2107279206 KMJRVQZOABVQAB-UHFFFAOYSA-N 429.315 2.022 30 10 IEEE COc1cccc(C#N)c1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164488349 WASHLKYORZNEFI-FQEVSTJZSA-N 431.445 2.333 30 10 IEEE C=CCC1(NC(=O)[C@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2246477715 VLQAXTPYBOPPKD-HZPDHXFCSA-N 439.553 2.429 30 10 IEEE COC[C@H](COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)NC(=O)OC(C)(C)C 2247254091 CFYDQDGKFXVRLC-CYBMUJFWSA-N 426.294 2.438 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248395101 HCZJIGLCTZIGAS-AWEZNQCLSA-N 440.371 2.203 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255619055 MIJJPPKAUYYNGE-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255626675 IVDMZJZBQDRDBT-ZIAGYGMSSA-N 434.346 2.131 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255654948 GDVJIIZMSWBPPO-VXGBXAGGSA-N 430.232 2.250 30 10 IEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258959002 KSZGDKBFTRSTTR-SJORKVTESA-N 436.358 2.400 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2267133496 CNONZXUHOWKOCV-GASCZTMLSA-N 446.357 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2CC[C@@H]21 2267140871 UEKKEBASIZUMAM-YCPHGPKFSA-N 446.357 2.227 30 10 IEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267516937 LIBMSKRKQQAJLS-MSOLQXFVSA-N 438.381 2.454 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268706074 IUMZFODUMKVGCB-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268724909 PPALGYBOXACKNP-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2268792458 SOQPJJINGGEDKN-UHFFFAOYSA-N 447.341 2.081 30 10 IEEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2315522004 FVRBCDVKXMEECS-CQSZACIVSA-N 436.362 2.061 30 10 IEEE CCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)c(O)c(OC)c1 2320988551 YSWYVQALVKUTMW-UHFFFAOYSA-N 445.501 2.447 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc[nH]1 2325920927 HLAIXCKQAUAKRW-INIZCTEOSA-N 438.513 2.270 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccncc1 2325926921 HBJDDMXQJUZISO-UHFFFAOYSA-N 431.319 2.486 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2cccnc2)cc1 2326251980 XLZZBNWQUWAGOC-UHFFFAOYSA-N 426.502 2.153 30 10 IEEE CCOc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327906569 GXKFXGQKSSTTDW-OAHLLOKOSA-N 447.561 2.463 30 10 IEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c(OC)c1 2330785819 UKXWJQJPIQLFFV-UHFFFAOYSA-N 449.533 2.105 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651021 HCCWAAYOWZDNON-SFHVURJKSA-N 448.369 2.450 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2O)n1)NCc1ccc2c(c1)OCO2 20494512 NGZLFZDAQSWXFG-ZVBGSRNCSA-N 426.458 2.094 30 10 IEEE C=CCn1c(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)nnc1C(C)(C)C 20839458 DMPQDDDJNRVQEP-UHFFFAOYSA-N 433.582 2.280 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294979 VXSFTIJKOIGZTF-UHFFFAOYSA-N 440.569 2.302 30 10 IEEE Cc1c(Cl)cccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 32408064 VLXJJHKOHSENEN-UHFFFAOYSA-N 439.946 2.215 30 10 IEEE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467275 ZDMVCRAGRFBTTL-WJDWOHSUSA-N 431.587 2.021 30 10 IEEE C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCCc3ccccc3OC)co2)CC1 34677596 HTSHQTVAOBHCLR-HXUWFJFHSA-N 442.560 2.100 30 10 IEEE CS(=O)(=O)N1CCC(c2nn(Cc3ccccc3C#N)c(=O)n2-c2cccs2)CC1 38900948 AFRDIVNRIBKEDB-UHFFFAOYSA-N 443.554 2.154 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)n1cnc(C#N)n1 409634690 DVCLLAKMYVZSLV-CQSZACIVSA-N 425.493 2.318 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(COc2ccccc2C#N)o1 439895571 AVQMMLTWQHGWLL-SMOSDQRPSA-N 438.436 2.295 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CO)c1cccc(Br)c1 443489530 MLVDKDOOALIPJE-CYBMUJFWSA-N 426.248 2.241 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 444728619 GGFUZMGZGCKUDF-RKVPGOIHSA-N 430.496 2.092 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 460367771 FXJJPCDVMUPUPZ-IBGZPJMESA-N 444.605 2.325 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 463273355 JZWQHZVNNULAPY-UHFFFAOYSA-N 438.507 2.351 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1Cc1ccon1 480953485 BOFHZNNPBKKNFG-UHFFFAOYSA-N 447.472 2.242 30 10 IEEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC(N4CCNC4=O)CC3)cc2)c1 490072947 CYZUVFNJMPDOQE-UHFFFAOYSA-N 433.468 2.305 30 10 IEEE Cc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)nn1CCC#N 504094983 DONUNYRJFJRPDF-UHFFFAOYSA-N 430.534 2.208 30 10 IEEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 507480238 RHWJRELPBHTMIC-GJZGRUSLSA-N 436.559 2.136 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(F)cc1 514646794 LUNXTUHCGWUVRA-UHFFFAOYSA-N 425.510 2.225 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccccc1 523082121 JMWMTAKBEMFTJB-UHFFFAOYSA-N 435.524 2.435 30 10 IEEE COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(OC)c1 541020692 XUMVENMJBLHUKG-UHFFFAOYSA-N 441.488 2.048 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1-c1ccccc1C 543149194 CVBGANFGXWVVEZ-UHFFFAOYSA-N 440.528 2.313 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cn1 554910160 DUUJTMQMYSMUDO-IBGZPJMESA-N 429.484 2.494 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2Cc2ccccc2)cn1 558905091 AFSCJTSJRYEDDH-UHFFFAOYSA-N 425.500 2.320 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 562089923 JIRQAQWPFICJOK-FQEVSTJZSA-N 426.542 2.007 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 583112040 JLKJBRRIOUDIOY-ROUUACIJSA-N 435.525 2.278 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 607057727 RZZVNCJYQQCGQH-UHFFFAOYSA-N 427.549 2.010 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 610429008 HPVUMIATOOHEBG-HNNXBMFYSA-N 425.308 2.459 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 611492481 RKWUFMKINLTNLL-UHFFFAOYSA-N 447.513 2.192 30 10 IEEE C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C(=O)N1c1cnn(C)c1 611840933 LBUDJYBBLAOWGX-LRDDRELGSA-N 438.879 2.446 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@](O)(CN(C)C)C1 618923856 LLUSPQYNTFONLO-LJQANCHMSA-N 440.338 2.013 30 10 IEEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670234033 SRESVLBNLOHKSR-IBGZPJMESA-N 433.516 2.486 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(Cc2cccc(OC)n2)C1=O 726396844 VCZSHBUXLQUEFS-QGZVFWFLSA-N 444.513 2.375 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)no1 730138509 CSHODAFARBTCMA-QGZVFWFLSA-N 433.509 2.322 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1Cl 730407395 JYBJYLPVFJURKE-MRXNPFEDSA-N 437.930 2.312 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1-c1cccc2ncccc12 731410654 PLJZQUGOWMLWEP-UHFFFAOYSA-N 432.465 2.255 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732650544 WFMRSEUWKRKHFW-PKOBYXMFSA-N 430.574 2.371 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2c(C)cc(C)nc2O)C1=O 735225725 NJAPCFMEENZHEZ-QGZVFWFLSA-N 442.497 2.401 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC2(O)Cc3ccccc3C2)cc1 738904711 JYRDBULHESGJEK-QQTULTPQSA-N 442.541 2.151 30 10 IEEE COc1cc(CN(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 742525569 GAJZZYNNNYTSEV-CQSZACIVSA-N 431.514 2.180 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@@H]2CCCO2)c1=O 743728911 RHEMVSIUWWNKBD-INIZCTEOSA-N 437.546 2.240 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NC1CCN(c2ccccc2C#N)CC1 750046112 SMMADHDNKCZKLH-UHFFFAOYSA-N 428.496 2.340 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(c3cc(OC)ncn3)CC2)ccc1OC 764727209 JZFXTAHMKCMYHK-KRWDZBQOSA-N 440.504 2.207 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@@H]2CCCO2)cc1 764977169 MHVNQHPCDYAASI-IBGZPJMESA-N 433.533 2.122 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(Br)c2)N(Cc2ccn(C)n2)C1=O 765545274 SXVWTOHTYINFOJ-CQSZACIVSA-N 436.335 2.450 30 10 IEEE C#CCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H]1CCS(=O)(=O)C1 774035856 PEXHWMJAFSLPDX-OAHLLOKOSA-N 447.567 2.356 30 10 IEEE Cc1cc(Br)cc2c1CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 774829812 CSOQODCLXVPYNV-UHFFFAOYSA-N 448.342 2.381 30 10 IEEE CC[C@H]1C[C@@H](C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1 779755195 XOMZHICRIKJXCM-GJZGRUSLSA-N 426.495 2.219 30 10 IEEE COC(=O)c1ccc(NN=C(C)c2ccc(S(=O)(=O)NCC(=O)O)cc2)cc1Cl 782236783 AZGPDYMAENDYAF-UHFFFAOYSA-N 439.877 2.326 30 10 IEEE Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)c(C)c1 788935584 KVRYSSKXOZNEIP-HXUWFJFHSA-N 449.559 2.163 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ccncc4OC)CC3)ccc2c1=O 794345631 RDHBUDMIXWHOBX-UHFFFAOYSA-N 437.525 2.237 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@H]3CCCO3)c2=O)cn1 794580707 ZGASXMATGMZTQH-QGZVFWFLSA-N 442.585 2.204 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)ccc1OC 799254504 XNHFTZYLCKXFKR-SFHVURJKSA-N 436.468 2.368 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C(F)F)C3)c2)c1 802586563 RNQYHOSOZBNQQN-IBGZPJMESA-N 442.418 2.304 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)NC2CCCC2)cn1)c1ccc2c(c1)NC(=O)CO2 914697872 FYWALJJOQWBUEN-UHFFFAOYSA-N 429.502 2.470 30 10 IEEE COC(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 916723330 YNLAKWZMLOFHOF-CYNURGJPSA-N 436.534 2.306 30 10 IEEE CN(C[C@]12CCC[C@H]1OCC2)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1135034945 AKJYVLPPYJMVEK-IFMALSPDSA-N 431.558 2.377 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1141598189 RJJDHZYINNJKJV-ZWKOTPCHSA-N 440.610 2.240 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1161759869 NXFWEOPVNXBCJM-SWLSCSKDSA-N 436.452 2.386 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)cc1 1163485230 QRUCXUPNINDVSW-OAQYLSRUSA-N 444.553 2.411 30 10 IEEE C#CCC1(O)CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 1175854015 LAPFSUSWDNHJNI-UHFFFAOYSA-N 428.348 2.380 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(c3cnc4ccccc4n3)C2)s1 1176769202 YJXJPDJVGHFEGA-UHFFFAOYSA-N 428.539 2.324 30 10 IEEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)c1ccc(F)cc1 1190595634 RDWQUFCCEPPGQO-PWRODBHTSA-N 446.500 2.455 30 10 IEEE O=C(NC[C@@H]1CCCS1(=O)=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1228370971 RJEHATUDXSKCDS-CIUDSAMLSA-N 444.344 2.376 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1251525276 ALUBSHIMGVYGBE-UHFFFAOYSA-N 447.532 2.486 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286354967 WNYIMOCDRGCROP-UHFFFAOYSA-N 449.603 2.248 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1286403364 ITKCIOTVTVXSFI-KOSHJBKYSA-N 438.528 2.354 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)[C@@H](C)CC 1286409146 PBALFRZERCQKBO-HKUYNNGSSA-N 442.589 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N2CCOCC2)CC1 1286425473 ZMWMPZHMWXIYQR-UHFFFAOYSA-N 449.555 2.290 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC(C)C)cc2)CC1 1286479659 NUWCNOLNQAXEBW-OAQYLSRUSA-N 436.560 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CC1 1286489286 NAAMTLDAFQEQQN-OAQYLSRUSA-N 430.512 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1286492199 DQWFEBIJAKPJPR-OALUTQOASA-N 431.581 2.199 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286496828 WEAGWEHFIOKBSJ-QUCCMNQESA-N 432.638 2.147 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1286516225 DXWFNTNARLJTQD-FRVUEHSBSA-N 437.610 2.476 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1286601952 QLDZENSOCHSBHN-GOSISDBHSA-N 440.548 2.442 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286602232 VYTMBSSBLWFCFK-JJTKIYQPSA-N 426.521 2.115 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NCC(F)(F)F)CC1 1286652412 FHJPOTSKXUFIEQ-UHFFFAOYSA-N 430.475 2.277 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(C)cn1 1286742599 QUTWNRHIVMPABU-FQEVSTJZSA-N 430.516 2.499 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccc(F)cc2)C1 1286799649 YISSMDCBJBCCGZ-AVRDEDQJSA-N 431.512 2.244 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C2CCCCC2)C1 1286812198 KIMRRSJMNCMUDI-FQEVSTJZSA-N 430.597 2.446 30 10 IEEE C=CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1286834851 KXZMBVYYGHJEQU-JOCHJYFZSA-N 449.621 2.344 30 10 IEEE CC(C)(C)C(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286987170 BORASFYVHXOWTI-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)COCCO2)CCOC1 1288296242 LCSYQJOHAIOLOM-VXKWHMMOSA-N 433.553 2.254 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1288406650 BPYAQMVIUIXHKL-MJGOQNOKSA-N 440.504 2.088 30 10 IEEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C 1291154180 UQRQXTDSYLPBSH-DLBZAZTESA-N 431.562 2.360 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CCO1 1293636867 FAIUTOYGUGGOHO-PGRDOPGGSA-N 429.521 2.131 30 10 IEEE N#Cc1cc(NC(=O)c2c[nH]nc2I)ccc1N1CCC(O)CC1 1294975708 CXRQGJHXEMDLGV-UHFFFAOYSA-N 437.241 2.099 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1300304958 RDFAEGONOMILLK-QZTJIDSGSA-N 449.559 2.409 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1300449079 MKCROJIYURGEKL-UHFFFAOYSA-N 432.546 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 1300548783 PBLTVRBLBZHCKV-UHFFFAOYSA-N 437.887 2.493 30 10 IEEE COc1ccncc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1300702510 RPMULUFJZJRCGI-SFTDATJTSA-N 430.484 2.213 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300766160 VHMPSGKEILOPDV-SFHVURJKSA-N 436.578 2.388 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N(C)CC)C1 1301534456 BFHPETTWVISBIN-IBGZPJMESA-N 440.548 2.407 30 10 IEEE CC(C)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303266637 SLQGFBQREVLRNR-KRWDZBQOSA-N 439.564 2.437 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)Cc2ccccc2)cs1 1304675566 JIGPXQKQYMNBHV-HXUWFJFHSA-N 437.573 2.495 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC[C@H]1OC 1305466870 MNUUIUPTGFEREV-QMTMVMCOSA-N 426.521 2.378 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CC1 1305534691 SEEWCZKDHCIWRG-XHDOVSQSSA-N 427.578 2.296 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)CC1 1309870766 WUSWSYIBPAJKJL-UHFFFAOYSA-N 436.299 2.467 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1313553991 LLJQBCJIHUHGIL-VQTJNVASSA-N 438.532 2.100 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1316189420 NEDOTBXZOPQLCC-VIZSFHNOSA-N 448.612 2.489 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1OC)c1c(O)nc(=O)n(CCCC)c1N 1348520547 UDORKVOPVCCZMB-SJORKVTESA-N 442.516 2.464 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358960014 UUGOOBLAPHFFTG-FQEVSTJZSA-N 427.574 2.058 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358960830 MPDGTAAYJDJHJC-GOSISDBHSA-N 439.541 2.265 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CCCCC1 1358974191 UYVGESXJWQDWMP-XMMPIXPASA-N 444.543 2.325 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 1358977181 GFVWDZKIRJNODS-HXUWFJFHSA-N 426.542 2.239 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1359023928 BADMJCGGWVMRDN-PMACEKPBSA-N 437.544 2.311 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359052769 PGTWYVMGKXWHCZ-KRWDZBQOSA-N 443.964 2.462 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359053666 UUMSASBHPDYCIE-QGZVFWFLSA-N 433.603 2.077 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](CN2CCOCC2)C1 1359053735 XGMJWAKUCUHUBD-LJQANCHMSA-N 441.601 2.479 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359055720 NTHZUPPHLWQAMF-UHFFFAOYSA-N 444.649 2.293 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCOCC1 1359073244 IMIKECBFFFFQCL-WZONZLPQSA-N 425.581 2.100 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1359106340 ATHXHVHVGAULHW-GOSISDBHSA-N 427.553 2.317 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359222143 ZNBNBMCAGWIFTG-UFYCRDLUSA-N 430.553 2.379 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359336209 IGRFBZWNFRDYJG-UHFFFAOYSA-N 449.625 2.062 30 10 IEEE C=CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359346425 KZLUVQCIWFSXRW-UWJYYQICSA-N 437.610 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)sc2C1 1443537033 OFWCEKYTFCQHBJ-ZPHPHTNESA-N 446.529 2.298 30 10 IEEE C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@H]1CN(C)CCN1C 1444410134 LIJDAPVEAIEKSY-ZLGUVYLKSA-N 441.576 2.143 30 10 IEEE C=CC1(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)CN(C(=O)OC(C)(C)C)C1 1445642747 AKJPHHMBOJPESQ-UHFFFAOYSA-N 429.517 2.490 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)ccc2c1=O 1457843120 CUFPFZZGKHCOLA-QLPKVWCKSA-N 442.541 2.466 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)c1cccc(Br)c1 1466107477 RZUCKZNGQSVLML-HNNXBMFYSA-N 426.267 2.248 30 10 IEEE COCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C(C)(C)C1 1469749584 ZDDBWKXJCJJWBA-OTQYULQBSA-N 434.581 2.342 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1469984397 WTLUDABQCDTSFZ-MRXNPFEDSA-N 434.590 2.011 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCCCC1 1470829109 JVPPLJZPSSICDJ-UHFFFAOYSA-N 435.506 2.085 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@@H]1CCOC1)C(F)(F)F 1472227344 NDSKCGOXBKQOMQ-CXAGYDPISA-N 447.479 2.369 30 10 IEEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)nc1 1475653908 CQTXEIBVQRMNEC-UHFFFAOYSA-N 432.477 2.026 30 10 IEEE C=CCN(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1475823144 SHPJAGVINRFZPY-AWEZNQCLSA-N 431.942 2.416 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CC(=O)NCC(F)F)n1 1492735582 BMXNYVYZJVZWQE-UHFFFAOYSA-N 442.474 2.029 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N(C)C 1502915484 FGHLRAJNWCSQLA-NRFANRHFSA-N 430.484 2.176 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1507539237 STMUCLYKOVORSY-CMKODMSKSA-N 445.589 2.181 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1507563576 HKZSHUDZXCVZJS-RTBURBONSA-N 435.594 2.207 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507583938 XVDDXNLATUOTIN-KRWDZBQOSA-N 433.516 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccccc1)N(C)C 1507652806 LHZHKRWDPOZFPP-FQEVSTJZSA-N 430.512 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1507703998 LNSFAVRKQVISDT-MHECFPHRSA-N 435.528 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cccs2)CC1 1507734279 UBWHIEVHNQVGEH-UHFFFAOYSA-N 442.589 2.033 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507752212 UIWXXZOOILDQAC-BTYIYWSLSA-N 441.561 2.205 30 10 IEEE C=C(Cl)Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507875161 OMHJVTPOTMGVSA-SOUVJXGZSA-N 438.960 2.468 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507884449 UQPDZVUNQHMDMO-SFHVURJKSA-N 429.546 2.001 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)CC1 1507918481 HGABAQFYBFSXTQ-UHFFFAOYSA-N 426.569 2.063 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507937878 ZOIAZLSSZRPKEO-UHFFFAOYSA-N 444.565 2.187 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507944614 TXDRPIBJRUNSOV-GFCCVEGCSA-N 447.487 2.090 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cnn(C)c2)CC1 1507957727 UGDJAQHAFLTZOI-UHFFFAOYSA-N 427.553 2.224 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1507961811 HBVUXHVXAHMBAK-GOSISDBHSA-N 446.502 2.427 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1507992294 AVTNXCZACNXXGK-GJZGRUSLSA-N 447.527 2.219 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)N(C)C 1508415127 BXQXPWJOSPALJU-LBPRGKRZSA-N 428.921 2.225 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)C1 1510293587 SIUFIKNRTDQGHE-JOCHJYFZSA-N 444.486 2.136 30 10 IEEE CCNC(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1515977672 GAFXCJVIGUXBCF-XMMPIXPASA-N 449.559 2.442 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCNC(=O)c2cccc(O)c2)C1 1521069483 MBMMQXBDQAVYLI-QHCPKHFHSA-N 449.490 2.232 30 10 IEEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCCCC3)CC2)c1 1525034763 FTZHNYUGXWPTHV-UHFFFAOYSA-N 439.559 2.232 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1539115760 BIBZLPBUHKUMLY-GOSISDBHSA-N 440.935 2.145 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539132518 MBMQBRYSDMDJCW-UHFFFAOYSA-N 430.553 2.307 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539213019 ZSVMGUXBCIISSE-HXUWFJFHSA-N 437.569 2.461 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1 1539337117 KWRFNVZQSKERPM-IBGZPJMESA-N 425.508 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2-n2cccn2)CC1 1539490529 XCSWADWOJQCWPK-UHFFFAOYSA-N 447.543 2.014 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2CO)CC1 1539512868 GLXZHUSZFWCJIZ-HXUWFJFHSA-N 439.585 2.472 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1cc[nH]n1 1540356003 ZQCSZLXFPALVFX-QGZVFWFLSA-N 447.561 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C(=O)OC)C1 1540864975 QPXLXBXRGWGBEA-GJZGRUSLSA-N 443.573 2.433 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540866069 BNSRSTPXWLHGJG-CZUORRHYSA-N 439.438 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(C#N)C1 1540900128 LVYHQLRTFGEGSA-NRFANRHFSA-N 443.529 2.405 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1ccc(C#N)o1 1541680661 AODWLNJHGFSVGY-HXUWFJFHSA-N 445.483 2.379 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H](C)C2)CCOC1 1547919719 QQZCMOPBAHAWMD-TXTKFYIRSA-N 446.596 2.171 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 1562268204 UTORYJKKOKVWJX-UHFFFAOYSA-N 449.920 2.144 30 10 IEEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](c1ccccc1)c1nc[nH]n1 1570180440 MOQVAXDFFBOIRA-QUCCMNQESA-N 443.467 2.129 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588049940 NUFGSBQTHFWPKC-GOSISDBHSA-N 445.589 2.497 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588064823 PTIKFWPZGYDRHG-HSALFYBXSA-N 434.606 2.189 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OCCO2 1588089946 RHVQHYCVRPUMHW-DEOSSOPVSA-N 436.512 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1588884515 CWFJWLDPBVITQT-QGZVFWFLSA-N 429.565 2.085 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1594566171 APXHZVSQIUNIFI-WBVHZDCISA-N 435.598 2.492 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1594839802 UOFDORXKUIHWPG-CALCHBBNSA-N 427.553 2.435 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCOCC2)c(F)c1 1596782793 LHBIDXRPDPRSFH-INIZCTEOSA-N 443.527 2.036 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1596814342 VFHPQIRKNWZDMM-INIZCTEOSA-N 444.561 2.094 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1597706536 IDUTXCZMDLEAEV-JPZYQRIQSA-N 440.573 2.223 30 10 IEEE CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCS(C)(=O)=O 1602766399 FOQICUNKZMHNBU-UHFFFAOYSA-N 430.578 2.425 30 10 IEEE CCc1nnc(NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c(C#N)c1CC 1612884284 OXIBZGXZXBKTRE-AWEZNQCLSA-N 437.566 2.309 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1613412318 AHXNSXSBTZQHRT-XLIONFOSSA-N 444.605 2.419 30 10 IEEE CCOc1cc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1OC 1616319707 FDWUMEQYLVVGMS-MRXNPFEDSA-N 448.531 2.419 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1617213330 BSTIZYADRXTNGO-UHFFFAOYSA-N 431.500 2.488 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)C[C@@H]1C 1619937189 CCBKGYDPSNRITH-IBGZPJMESA-N 425.581 2.314 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1624078176 WLQFLTUVJZXPMZ-SFHVURJKSA-N 430.530 2.411 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC4(CCC4)S(=O)(=O)CC3)CC2=O)cc1Cl 1626602272 BFHXNSRQFQOESV-OAHLLOKOSA-N 435.933 2.134 30 10 IEEE C#CCOc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cc1 1633193058 IQEIKIJQLACSKJ-UHFFFAOYSA-N 434.477 2.492 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1 1637273083 XMUDRSQKPBBKOF-UHFFFAOYSA-N 431.420 2.461 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 1643808686 MONRZKUIQMVNSW-UHFFFAOYSA-N 436.274 2.478 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2c[nH]nc2C[C@H](C)C1 1644568488 GNEBQQZIVDQPGP-KSSFIOAISA-N 429.546 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(CC(=O)NCc1ccc(C#N)cc1)CCO2 1648503275 BFXGOSNTJZIWGZ-UHFFFAOYSA-N 428.533 2.276 30 10 IEEE CCOC(=O)C1=C(CN2CCC[C@@](C#N)(c3ccccn3)C2)NC(=O)N[C@@H]1c1ccco1 1655280759 NJFVIDUHLQIUFW-OFNKIYASSA-N 435.484 2.403 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@H](c2cc(Br)ccc2OC)C1=O 1656312362 FLSFSQDHQXWJQR-BDJLRTHQSA-N 437.294 2.059 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 1657632094 LUVNNDUSKMXIMU-NLMCKWEYSA-N 429.561 2.104 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC2(CCC2)S(=O)(=O)CC1 1664471561 BBSSBAUPVXNLFY-UHFFFAOYSA-N 433.349 2.053 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OCC)c(Br)cc2F)C1 1666053534 RUKLKIFXQLZGBX-GFCCVEGCSA-N 447.326 2.141 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 1668519654 MTRCNHFXDXRMKP-QGZVFWFLSA-N 436.530 2.448 30 10 IEEE COc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(S(C)(=O)=O)c1 1671999268 DSUBFHQJFYBAOA-SFHVURJKSA-N 442.497 2.287 30 10 IEEE CC(C)(C#N)CNC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1681276354 AUMGNCXAHXRQJH-DLBZAZTESA-N 448.568 2.113 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCOC[C@@H]3CC3CCOCC3)C2=O)cc1 1681515144 GHWFTNSWXPZOLE-LEWJYISDSA-N 426.517 2.281 30 10 IEEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)O1 1683703730 RMHSLDQSFUDVRE-ZRBLBEILSA-N 442.560 2.127 30 10 IEEE C#CCN(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1683776900 XQEQFBWBODEZHR-AVRDEDQJSA-N 434.558 2.118 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)C2)nc1 1684223105 QGNMEHIMAUAZSB-MJGOQNOKSA-N 425.514 2.209 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1684863133 ICCOQUDBGMDTPD-RTBURBONSA-N 426.517 2.047 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1689959150 VGKWEULDICDYAI-UHFFFAOYSA-N 445.570 2.372 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2ccccc21 1690093982 PDTKEKWNKRACAK-MJGOQNOKSA-N 445.589 2.094 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CCO[C@H]2C2CC2)CC1 1690110565 QVLWTVCBXZLNFR-GBXCKJPGSA-N 442.608 2.157 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)C)CC1 1690111503 CTOULJRSSCSGRF-SFHVURJKSA-N 442.539 2.085 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690154213 KHBKQKCLVKCIKK-UHFFFAOYSA-N 440.573 2.264 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccco1 1690246149 RKPGNICSDYJXKR-KPFFTGBYSA-N 429.521 2.456 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1690301341 STTTVVJKJWZISU-QGZVFWFLSA-N 433.578 2.086 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1690525659 MWUPQNZWZWSAOG-UHFFFAOYSA-N 442.511 2.396 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1690585768 VFJNBRANYCTMJU-INIZCTEOSA-N 429.550 2.071 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1690667874 LCOQDSVHQGEARB-ZWKOTPCHSA-N 441.580 2.107 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694130600 SAFMGRMKFDSSGS-MBOBHEEDSA-N 441.580 2.383 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1695768432 SSGRTPPYSZQJTQ-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCC[C@H]1OC 1696335711 AKWQOSAEQFJEJJ-JENIJYKNSA-N 440.552 2.006 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCSC1 1697627788 HDQKSIKBVRDDHU-QRWLVFNGSA-N 447.586 2.176 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC1CC1 1705478182 XPBKSHPFXBRRMT-SJORKVTESA-N 445.589 2.492 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705514342 RXEVJNPWAJIVOM-JOCHJYFZSA-N 433.560 2.338 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705524905 UWOXETUIDUQKMU-INIZCTEOSA-N 449.552 2.489 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705527405 XFSBRHUOACFHDO-VGSWGCGISA-N 444.557 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1705648777 YNRQGQJNYACRBT-CRAIPNDOSA-N 442.589 2.316 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)C2CCCCC2)CC1 1705653030 WVMHXOPSCLPQMT-HYBUGGRVSA-N 443.592 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705698716 XSLQZWNZXVTJRU-ADHGMGHFSA-N 436.509 2.097 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@@H]1C 1705714137 GGSFCMNYGUMMCA-IIBYNOLFSA-N 448.593 2.181 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705896724 WEAAVEUDVAVYIY-LSDHHAIUSA-N 445.545 2.251 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CCSC 1705901380 JXGJDHXOBIQPNQ-CQSZACIVSA-N 441.561 2.474 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705902815 JXYZAQQUJAYXGT-KUHUBIRLSA-N 445.486 2.004 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705946118 ZMGIIAKUCNWHPX-KRWDZBQOSA-N 445.593 2.135 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CCO1 1711360235 DXUDBGSTQILSTR-UXHICEINSA-N 438.532 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)CC 1722279273 BHMPTOKNCUBNLS-ZDUSSCGKSA-N 425.942 2.004 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722337511 CGSNSAHEHVSGCS-JOCHJYFZSA-N 434.544 2.443 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1722380710 VVOKYFYSYOHORJ-SFHVURJKSA-N 429.528 2.399 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCSC1 1722425337 VMDPGBQCKJTXQS-JOCHJYFZSA-N 438.557 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCc3ccccc3C2)CC1 1722445549 YMQDISPUIUSLAR-UHFFFAOYSA-N 434.588 2.426 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722459340 IFNLEIBBGQEYAX-GOSISDBHSA-N 427.578 2.311 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)COC(=O)N2 1722462017 HTPGCHAHMLVUTO-UHFFFAOYSA-N 432.575 2.079 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCN1CCOCC1(C)C 1722466417 UNLWOHXSDNGVIZ-HSZRJFAPSA-N 430.597 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1722511207 XSMXMDMKPWBNHM-XLIONFOSSA-N 436.553 2.470 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1722517893 OZKXUFAEJSOAOC-QGZVFWFLSA-N 447.609 2.143 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)CC1 1722574224 HYYOYJGHNZUJSB-ZFWWWQNUSA-N 431.653 2.139 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1722582911 LXDHUYVYKALWMX-UHFFFAOYSA-N 440.552 2.379 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722628277 VQRCMGUERCGFJU-SFTDATJTSA-N 432.613 2.329 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1722868924 MMJZNSDVKINXQF-IXDOHACOSA-N 426.512 2.124 30 10 IEEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCCN1CCOCC1 1726398636 TVORRRWMEUWPSH-UHFFFAOYSA-N 437.592 2.283 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1729154102 LWPLOOXHGJGYMO-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1730385416 CKPIRTRSINZOFE-RHDHBXJDSA-N 436.516 2.333 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCc2ccccc21 1730875344 LTPRDDHHUHPQDB-QUCCMNQESA-N 440.548 2.184 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1 1730909639 JHRTXILHEOWOBI-CTNGQTDRSA-N 441.532 2.397 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740628463 XWVGXXXUYXOKDA-RBUKOAKNSA-N 438.594 2.004 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1740663253 DIRPGCCORLHTTI-HSZRJFAPSA-N 435.532 2.407 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740714786 KSSDDBYARNJJOD-SJORKVTESA-N 430.578 2.007 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1740719817 ROBBEGIRGVEKNR-HNNXBMFYSA-N 431.512 2.325 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1740742137 DLDYHQSYCGBVAB-UHFFFAOYSA-N 434.264 2.272 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740767297 NPPUAUIVVURWLN-PKOBYXMFSA-N 434.585 2.426 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740792256 WGCLLOIWVSZOLI-SFHVURJKSA-N 429.569 2.402 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1740856734 WCDSSXJFARLAGT-RBUKOAKNSA-N 437.548 2.051 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740880901 QKHHIISAUZQHDH-BZSNNMDCSA-N 426.583 2.372 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@H]1C 1740893678 SDMXLPMSJLDKAF-IIBYNOLFSA-N 433.578 2.369 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1N1CCOCC1 1740941234 FRBWKZFQBUTHET-HXUWFJFHSA-N 427.549 2.306 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740957341 KLZDTCDRPXKICG-MRXNPFEDSA-N 440.577 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1C(=O)Nc1ccc(C)c(C)c1 1740995329 IHCMJJGVOFTHSR-UHFFFAOYSA-N 443.533 2.225 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCCOC(F)F 1743229992 AVNVGOQGIPERLF-CQSZACIVSA-N 432.479 2.237 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)c1 1748578381 HAWIERNXLMLBNL-KRWDZBQOSA-N 437.447 2.363 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1748957000 REXKXISFXYLYFL-IBGZPJMESA-N 425.533 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cn[nH]c2)CC1 1748978604 ODYCMMDNSMIBNX-UHFFFAOYSA-N 427.459 2.268 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2)C1 1749020475 UPCZOCJOWHJNPR-GOSISDBHSA-N 439.589 2.356 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1749136396 MRXWOLANMWYFNY-LQWHRVPQSA-N 436.516 2.022 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnn(C)c1 1749142369 YSAJTSCGSKQDAS-HAGHYFMRSA-N 430.553 2.353 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)CCOC)C1 1749704121 WINDQBIABIKUMN-FDDCHVKYSA-N 444.532 2.285 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1749708885 MRFSMUXTQWVFOR-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1749713515 UHAJRWYZPAZOLK-SJORKVTESA-N 425.599 2.072 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCCCC2)C1 1749721990 YHQIHHSAEZSBBZ-ZVDOUQERSA-N 447.580 2.186 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749754636 PQTCFHMADHFETM-QGZVFWFLSA-N 445.593 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nccs1 1760206397 YMCDIAWKTOPVCP-UHFFFAOYSA-N 432.557 2.224 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1760252699 UROUUVZQCGARNY-QGZVFWFLSA-N 444.967 2.292 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1760277758 SHLLJYJRHAOXAP-OAHLLOKOSA-N 429.546 2.030 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOCC 1760318077 LPIXHMHLZCRELY-ICSRJNTNSA-N 438.536 2.375 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760521862 FXQROHWMJDMMBW-HNNXBMFYSA-N 448.593 2.014 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1760528335 ZLYZGWUKODEERP-GVDBMIGSSA-N 429.496 2.017 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCCCC2)C1 1760534568 BJCUIRORXASRHB-SJORKVTESA-N 441.598 2.019 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2n[nH]c(C)n2)C1 1760547497 LXCDNPVTAPGOCO-SFHVURJKSA-N 427.484 2.447 30 10 IEEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760800474 JPQAOWVENKNEHF-RBUKOAKNSA-N 438.532 2.494 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1763401768 HTNAMWAMGCSUCA-FYSMJZIKSA-N 447.543 2.270 30 10 IEEE CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1764256558 WUJIBXAXVGZUOQ-MOPGFXCFSA-N 425.537 2.190 30 10 IEEE CN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1767099979 CWBWFBLXXJIGNY-FCQUAONHSA-N 443.511 2.427 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1768146848 ZYYBYKSJZJTZBH-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)(C#N)CC1 1769273691 OAXGEULVPGWGDG-MRXNPFEDSA-N 425.472 2.035 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CCO1 1770751215 CIMRUOPRBWJACM-IBGZPJMESA-N 442.495 2.031 30 10 IEEE COC[C@H](C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1770753535 RUTLMLCQPDPODY-WCXIOVBPSA-N 434.541 2.060 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCSCCCO)CC1 1771534001 JMIQGSANVPMPQB-LJQANCHMSA-N 442.589 2.096 30 10 IEEE CN1CCN(c2ccnc(C(=O)N3CCCc4nc(C#N)cc(Br)c43)c2)CC1 1849463270 PFLCHQJUAVBHFK-UHFFFAOYSA-N 441.333 2.456 30 10 IEEE COCCN1C[C@H](C(=O)N(C(=S)N=CN(C)C)c2cccc(C(F)(F)F)c2)CC1=O 1852977208 QRZNXLWRFUJYQE-CYBMUJFWSA-N 444.479 2.408 30 10 IEEE CC(C)[C@H](C(=O)N(CCC#N)c1cccc(Br)c1)N1CCS(=O)(=O)CC1 1853350466 SQYQAIUPTHYMQA-QGZVFWFLSA-N 442.379 2.451 30 10 IEEE CCOc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1C 1854401859 VKFDPDFGUYSARF-GOSISDBHSA-N 430.482 2.356 30 10 IEEE C=CCNC1=C(c2ccc(OC)cc2OC)C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O 1863745896 ACAJOCVHLAPPRW-UHFFFAOYSA-N 443.500 2.180 30 10 IEEE COc1ccc([C@H](C(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OC 1866993325 YLZBKORARWWZIU-GHTZIAJQSA-N 425.485 2.431 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)n(C(C)(C)C)n1 1870000215 HIRNHIGHBOXIRA-UHFFFAOYSA-N 446.577 2.437 30 10 IEEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1 1870568501 XVIVJUBMUFVWMK-UHFFFAOYSA-N 430.936 2.135 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(N(CC)CC)cc3)C2)CC1 1872949166 REYJMRUFRXCXFC-LJQANCHMSA-N 426.561 2.427 30 10 IEEE C=CCNC1=C(c2ccccc2Br)C(=O)N(CCCN2CCOCC2)C1=O 1873070533 ZHKHNOPLSQHCGC-UHFFFAOYSA-N 434.334 2.027 30 10 IEEE C=CCn1c(C(=O)N2CCCCC2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562699 OWQQMPPBEKHYNL-UHFFFAOYSA-N 432.532 2.360 30 10 IEEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCN(CC)CC3)ncnc21 1873593355 OKRKHCBEHNWFHN-UHFFFAOYSA-N 427.597 2.221 30 10 IEEE CCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1874273469 GCXFGLOCJTYVPU-QHBIDGPYSA-N 444.561 2.251 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cccn1C 1874431130 FKYNEQIMMQOVBZ-SSDVNMTOSA-N 425.518 2.174 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)C#CBr 1953751849 WWHGFFKRDQRDLV-UHFFFAOYSA-N 434.331 2.220 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141665991 RWAQJBUDPSELRM-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)C#CBr)C1 2174694325 XWDQLKOZHKMABV-LSDHHAIUSA-N 442.354 2.097 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1 2224123522 HLUNHYSFDJYVPA-MRXNPFEDSA-N 433.358 2.107 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903257 FLGCKTVCXNNNFL-PMPSAXMXSA-N 442.387 2.491 30 10 IEEE COCCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2248405158 PKEIGHWZNRBUNW-UHFFFAOYSA-N 441.359 2.264 30 10 IEEE C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405893 ULFIFOYNGGOKRA-YUNKPMOVSA-N 437.371 2.362 30 10 IEEE Cc1nc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)s1 2255811918 TZBKJHNSTHKQCS-STQMWFEESA-N 449.382 2.346 30 10 IEEE Cn1cc(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255820889 WKDFXYBEQYZLSS-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(C)Cc1ccccc1 2255833810 IOCLSWKUCYGADI-UHFFFAOYSA-N 426.370 2.280 30 10 IEEE CCN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2255886916 PUZSHLUCMZZUFX-UHFFFAOYSA-N 431.342 2.462 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2267014926 GYIAVLWQPSTAHQ-UHFFFAOYSA-N 438.333 2.383 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143115 CVGURAMWLNUNMF-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267165803 KDWCGKAEPMLQCL-UHFFFAOYSA-N 446.357 2.342 30 10 IEEE Cc1nn(C)c(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267511426 CLZALMWFQDQHGN-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267519231 GGNXSCJAZVOSTG-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267524550 RKCPWPOTOGALBJ-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CO[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2268722973 LQIDXWYBBPEUEL-QGZVFWFLSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@](C)(O)[C@@H](N)C#Cc1ccc(Br)cc1 2278796065 CNXYTNHZQUYQNG-LPHOPBHVSA-N 427.339 2.420 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCC4(CC3)OCCO4)c2)OC1(C)C 2282333463 PAVOFQDHOUWDFC-HNNXBMFYSA-N 443.396 2.401 30 10 IEEE O=C(O)CN1C(=O)C(=O)C(=C(O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2296939534 QHXDWCUTRDCIPI-INIZCTEOSA-N 427.325 2.009 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c(C)c1 2296947667 BRLFIYYZQUXWEU-NRFANRHFSA-N 437.496 2.153 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CCO)COCc1ccccc1 2320428132 QOXNKHQVNFLDOG-LJQANCHMSA-N 428.338 2.022 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc(O)c1 2327884407 PDVSLTYWNWQMPA-CQSZACIVSA-N 431.518 2.245 30 10 IEEE COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccc(C#N)cc4)nn23)cc1OC 38500313 QBVSABGWPMJRHH-UHFFFAOYSA-N 444.451 2.489 30 10 IEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cn1 59830050 GQAUBBPIDXWJCO-DNTJNYDQSA-N 431.913 2.205 30 10 IEEE CCOC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 109176299 PBXGAQCMGPBFGG-IBGZPJMESA-N 429.498 2.303 30 10 IEEE C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431216420 CGPFAXGDTWTPOU-AWEZNQCLSA-N 445.610 2.109 30 10 IEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC 431221929 FUBFTCGKUXYPLZ-UHFFFAOYSA-N 447.626 2.335 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC(C)(C#N)CC1 444670425 IHDRKPFBZPHYIO-UHFFFAOYSA-N 447.605 2.491 30 10 IEEE CC[C@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CC1 464766252 TVMJNFDJDCJLEZ-OAQYLSRUSA-N 441.551 2.491 30 10 IEEE N#CC[C@H](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 474413089 SSSHGHODTCHHCY-QGZVFWFLSA-N 433.555 2.473 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1=O 499437654 RIJYGSGFKJZQKR-JQHSSLGASA-N 433.350 2.463 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 508464463 MLUBPYGVGVJLGM-MRXNPFEDSA-N 431.537 2.314 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508474861 WCBWRFZMOOECJI-CABCVRRESA-N 440.483 2.275 30 10 IEEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508813621 PQHLOLNIFORNEO-IBGZPJMESA-N 427.549 2.388 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cc1F 518284147 TVIZKKWZAMXVFF-QGZVFWFLSA-N 426.513 2.409 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 523181036 SROQECBQNCZRQV-OAHLLOKOSA-N 432.492 2.485 30 10 IEEE CN(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2n1 544397664 HPDQQMPPRZRDNE-UHFFFAOYSA-N 449.536 2.319 30 10 IEEE CCSc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccccc3)c2=O)c1 546728945 OOKUITGIXGJNSG-UHFFFAOYSA-N 435.574 2.319 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCOC[C@@H]3CC(F)F)nnc12 553314006 OKDRFRJXWKIGMW-ZDUSSCGKSA-N 449.483 2.205 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2C)n1 611200191 LVGZJDANGMIIPB-UHFFFAOYSA-N 432.488 2.287 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)c1F 669650690 NBJCKRKNLORNJY-HNNXBMFYSA-N 444.528 2.355 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)CC(=O)N2C)cc1 734920407 KEOFQBJSKJLZKV-WIYYLYMNSA-N 427.501 2.443 30 10 IEEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)c1ccc(C#N)cc1 740204506 JNHUCYFJSVDWQY-WXFJXSOESA-N 428.466 2.296 30 10 IEEE C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1nnc(-c2ccc(F)cc2)o1 746136002 YTAWCHVCVCMSDG-LBPRGKRZSA-N 430.417 2.330 30 10 IEEE C[C@]1(C(=O)O)CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757486729 QJSSCIJWBVAYQC-RUZDIDTESA-N 448.475 2.231 30 10 IEEE Cc1c(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)cnn1C 758060340 YMXKUFJPQMFXJT-GOSISDBHSA-N 446.552 2.067 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2cc(-c3ccccc3)nn2)c1 761973722 QPNANKAIXMVPMB-HIXSDJFHSA-N 438.513 2.397 30 10 IEEE CS(=O)(=O)c1csc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 767441559 KJJJPXYQJOVOMD-UHFFFAOYSA-N 438.430 2.161 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC3CCN(C(=O)C4CC4)CC3)c2)s1 786646321 AEJJEGCABNFBPN-UHFFFAOYSA-N 436.537 2.420 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)ccc1OC 787490477 CMGCSEVMSPSTMH-SFHVURJKSA-N 448.479 2.483 30 10 IEEE Cn1nncc1-c1csc(=NC[C@H]2CCCO2)n1N=Cc1c(F)cc(C#N)cc1F 794839306 PSHMHQWLCKCKCM-CYBMUJFWSA-N 429.456 2.457 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 794983394 QAZWPCKHHTXXIL-UGKGYDQZSA-N 435.528 2.187 30 10 IEEE COCCn1c(COc2ccccc2F)nnc1N1CCN(c2cccc(C#N)n2)CC1 802462915 OENTYCKJLPFLCR-UHFFFAOYSA-N 437.479 2.236 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCO2)cc1 802690374 ZYUDTKXPNGFTSW-GHTZIAJQSA-N 438.532 2.221 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 803523599 IKBJWLUVZHATMA-HXUWFJFHSA-N 442.537 2.081 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NCCc1ccccc1 1084200637 IVJYTGHUCFFRBL-UHFFFAOYSA-N 441.473 2.316 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C 1127222085 VVCCJHCZHMSBLG-KKWNJKKUSA-N 426.521 2.317 30 10 IEEE CCN1C(=O)c2ccc(C(=O)Nc3c(C)c(C#N)nn3-c3ccccc3)cc2S1(=O)=O 1129392636 GYRDBVOBXAAGHC-UHFFFAOYSA-N 435.465 2.469 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)COc1ccc(C#N)cc1)C2 1133528107 ZMTPJRVAQUFJPL-SAHWJRBASA-N 443.500 2.242 30 10 IEEE N#Cc1c(NC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)nc2n1CCOC2 1134818325 WUDXEYREWKBYEH-UHFFFAOYSA-N 439.859 2.431 30 10 IEEE C#Cc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)c1 1142211067 HCTRGDDIUDKNAL-IFMALSPDSA-N 426.538 2.232 30 10 IEEE Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1142437697 AKCVJGVFIZHPHG-YOEHRIQHSA-N 435.546 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CC[C@H](O)[C@H](O)CC1 1155983303 CSNBTLSKFHLMOJ-FFGOWVMKSA-N 429.517 2.173 30 10 IEEE C[C@](O)(Cn1ccccc1=O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807779 TZNQYJKSHPMCIO-CWSCBRNRSA-N 448.310 2.229 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCc2nccc(C(F)(F)F)n2)cc1 1158792939 UASFQIYEJAVHPQ-UHFFFAOYSA-N 428.436 2.274 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3nccc(Br)c3C2)cc1 1161497855 AZIHFXYXBUOKML-UHFFFAOYSA-N 449.330 2.235 30 10 IEEE Cc1ccc(-n2nnc(CC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c2C)cc1 1161798474 XZPLWBDWJBRCRA-UHFFFAOYSA-N 433.468 2.331 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 1179605606 VLASGIIDYARRLM-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272128 BVCCURPPHFJZSJ-UHFFFAOYSA-N 435.396 2.298 30 10 IEEE CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC12CCC2 1196022048 IGXJLMYPJLACAM-QFIPXVFZSA-N 425.464 2.440 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1231244663 PIDMZWNQDAAKTI-KXBFYZLASA-N 425.526 2.259 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 1254607694 ZMJWKWPZWBWGBE-HNNXBMFYSA-N 449.305 2.191 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nccc(C(F)F)n1 1286418662 FVWPWKVNYLUNCH-UHFFFAOYSA-N 436.426 2.164 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)COCCO1 1286457484 PXTAVNFLWMLTSH-VGSWGCGISA-N 432.496 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(C(C)(C)C)no1 1286462743 UDQWGFSFZSXNGY-UHFFFAOYSA-N 440.504 2.426 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286619982 XYKNTAIJHURVJD-UHFFFAOYSA-N 436.863 2.213 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C)c2)C1 1286799771 ACRVLTIICKIUCN-HKUYNNGSSA-N 433.578 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1286819434 KNIAYLGYWOSSHY-UHFFFAOYSA-N 432.546 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCCCC2)CC1 1286824780 IRNACMMGQCRJAS-LJQANCHMSA-N 437.610 2.185 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1286970866 YEJIISKUPQQFSE-HZPDHXFCSA-N 435.525 2.384 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cc1 1287423400 HRSNLVNXEPXYIW-RTWAWAEBSA-N 448.479 2.372 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccncc2Cl)CCOC1 1288321223 GTXJBZLZZJIMNA-OXQOHEQNSA-N 432.912 2.144 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1288688500 FHCQWZYJARDVLS-QGZVFWFLSA-N 430.578 2.029 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)s1 1291800207 JQBOPTOWEIMOCF-UHFFFAOYSA-N 427.935 2.407 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(CS(C)(=O)=O)CC1 1293149479 CSRLHJQTQKXBMJ-GOSISDBHSA-N 429.546 2.115 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1300305329 UKZOYSUVDKOGKL-OXJNMPFZSA-N 433.560 2.473 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)Cc1ccccc1 1300330264 WQMJTCMMTTXCNY-LMNJBCLMSA-N 425.533 2.119 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)N(C(=O)OCc2ccccc2)C1 1300399704 MHBCPWSYPMGNOS-BHIFYINESA-N 437.496 2.476 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1cccs1 1300441197 GFQNFUXFDCXXOU-HXUWFJFHSA-N 430.555 2.387 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300495926 KUXKCSVSDJSEIU-SFHVURJKSA-N 447.580 2.357 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1300672264 XHFNCVYKCURIOW-MSOLQXFVSA-N 433.553 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2occc2C)CC1 1300728580 AJWLOFCMUZZMGY-UHFFFAOYSA-N 435.532 2.055 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300999858 HYHCJBPUILJXOD-ICSRJNTNSA-N 425.533 2.473 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301060312 DSNMHKKEXHWZGH-PXNSSMCTSA-N 436.944 2.383 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCNS(C)(=O)=O)CC1 1301072111 DDSZIZUNPPOUQU-UHFFFAOYSA-N 446.396 2.475 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnccn1 1301481898 QOIVTZZYSRJEAY-OAHLLOKOSA-N 425.468 2.286 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccccc2C)C1 1301506958 SQDYUPJQUYGUNK-NRFANRHFSA-N 432.528 2.452 30 10 IEEE C[C@@H]1Cc2cc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccc2N1S(C)(=O)=O 1302585101 DCSPIRSCWFFKHJ-OAHLLOKOSA-N 442.516 2.370 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)c1 1304512149 FQSQRPPQPHMYTH-FQEVSTJZSA-N 440.548 2.005 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CCOCC1 1309871354 DYHFGIOADBXNRM-UHFFFAOYSA-N 440.587 2.020 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C)C(C)(C)C1 1358881587 JEYDVVWEQDDLPI-SFHVURJKSA-N 440.592 2.446 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1358923752 ZSPYISLADITWLD-SFHVURJKSA-N 431.544 2.019 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1359033952 WVGBBJBYZJJZKG-QHCPKHFHSA-N 445.571 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccoc2)CC1 1359047951 ZKZJLBOYQUODCO-UHFFFAOYSA-N 449.511 2.473 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCNS(=O)(=O)CC 1359067320 JGGWRZBHQRCINK-LJQANCHMSA-N 436.969 2.315 30 10 IEEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1359115665 IQIWINLCNORBPS-QFIPXVFZSA-N 443.573 2.233 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1359272544 WIKXPCZTJCSPGG-KRWDZBQOSA-N 439.651 2.186 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1359298701 JAJZQEBCVFSSGS-JKSUJKDBSA-N 435.532 2.212 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCOCC2)C1 1359305134 UJFOEOLYEMBPFC-UHFFFAOYSA-N 429.496 2.305 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2C)C1 1359313399 LKHQHAFGJDKGHZ-IEBWSBKVSA-N 433.578 2.221 30 10 IEEE C#CCN(C(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1CCS(=O)(=O)C1 1435069915 UVKWTHYNJUMZIP-MRXNPFEDSA-N 425.432 2.462 30 10 IEEE COc1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1437603700 ADKVKJHBCFSAAE-UHFFFAOYSA-N 443.525 2.253 30 10 IEEE COc1cc2nc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c(=O)n(C)c2cc1OC 1443199119 DAGUOJIUWAIMAL-UHFFFAOYSA-N 447.495 2.175 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)OC(C)(C)C)C2CCC2)s1 1452656806 YDXKHVGQUWWTJK-UHFFFAOYSA-N 428.576 2.478 30 10 IEEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 1452711307 JXPZPZNCLLRHFL-UHFFFAOYSA-N 439.468 2.356 30 10 IEEE CN(C)C(=O)OC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1468468837 ALXANNAXANFWQM-BXFSZVDSSA-N 434.537 2.462 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)cc1 1469505426 WGTZQQVPBPBZNQ-HXUWFJFHSA-N 434.558 2.452 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)cc1 1469730779 YUQCXFVAHZXHNU-BXWFABGCSA-N 429.521 2.332 30 10 IEEE C#C[C@H](NC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1 1478094942 XXFOHHXPTJBJGE-FRIZHTMISA-N 433.306 2.143 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1478348385 DZASGPWRDIRNLY-OAQYLSRUSA-N 444.557 2.368 30 10 IEEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1500150073 GXVDOCLSKVRYFD-LJQANCHMSA-N 437.548 2.362 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1NC(=O)CC1(C)C 1503123644 NQYUNOPLFOLKFX-OALUTQOASA-N 438.532 2.179 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCC1 1503644336 BFHKJMLYKBZVFF-AWEZNQCLSA-N 435.326 2.080 30 10 IEEE COc1ccc(COCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1504287013 VTCHJUAPHWSRLC-UXHICEINSA-N 427.505 2.474 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1504705650 RMKCANGHPOQJBE-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1505043292 HUSGBCNRWSDJPK-MBSDFSHPSA-N 441.532 2.254 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCn2cc(C)cn2)c1 1507550195 HUNJGOLSVREUAU-LJQANCHMSA-N 433.516 2.043 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1507632383 KNEJURUXKKGPFY-HXUWFJFHSA-N 428.558 2.103 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(Cl)cc2)CC1 1507733373 WUPVDMKKFUUNHI-ICSRJNTNSA-N 429.952 2.459 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1507801909 YXQLJUNNHKCYOI-FXAWDEMLSA-N 425.537 2.163 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1507936380 DASRXLVEBBXUQQ-OAHLLOKOSA-N 430.940 2.495 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1507954799 PQPKSRGYFBPHDP-IRXDYDNUSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1508084791 PNYSZNGVRRNZRL-QFIPXVFZSA-N 445.571 2.277 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(OC)OC)c2)C1 1508123234 LQTKBXABEAXIBO-MOPGFXCFSA-N 441.532 2.350 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOC1CCCCCC1 1508410681 FXJRBCJBCHNQTR-HZPDHXFCSA-N 426.587 2.224 30 10 IEEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1510325216 LDRWOLKXLJSFLX-UHFFFAOYSA-N 446.577 2.294 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1511972904 AHJXQHGWNMGKLP-APWZRJJASA-N 438.532 2.211 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1 1518330696 FRQDZISYGMCZOZ-HSZRJFAPSA-N 438.532 2.474 30 10 IEEE CS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)ccc1Br 1536709420 SNCWMYDTKBTROU-UHFFFAOYSA-N 428.304 2.331 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1539224043 CGRMIXWQFSTPPC-IBGZPJMESA-N 442.585 2.499 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1539513233 MCHVMBVOMGMZFS-QGZVFWFLSA-N 435.557 2.164 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539662355 SDVNAZNUMJAAQM-IBGZPJMESA-N 428.585 2.024 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)CC1 1540880428 GLRNZSJLYVXGLU-UHFFFAOYSA-N 437.548 2.060 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540913652 YDEDEQQIYFAJNC-FQEVSTJZSA-N 444.653 2.203 30 10 IEEE C[C@@H]1CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1545091238 CIVJGNOUBOUJFR-KZNAEPCWSA-N 440.552 2.163 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1545709268 YUJWCMPBBVOGSY-KRWDZBQOSA-N 438.580 2.474 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1 1547703377 DNGWJZVKSOBFSP-HXUWFJFHSA-N 436.608 2.420 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CCOC)CCCC2)CCOC1 1547918446 FKSLINLNOIYTPO-GCJKJVERSA-N 433.553 2.256 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1554246402 JDXZZXRZLNIROA-UHFFFAOYSA-N 441.532 2.194 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)C1 1554531943 UVPCKDBFIKPADZ-GOSISDBHSA-N 445.545 2.031 30 10 IEEE N#Cc1cc(C(=O)N2CCN(c3ncc(I)cn3)CC2)ccc1F 1557850421 CSMJUKMRJUXLDC-UHFFFAOYSA-N 437.216 2.054 30 10 IEEE N#C[C@@]1(C(=O)N2CCN(c3ncc(I)cn3)CC2)C[C@H]2CC[C@H]1C2 1557851872 OPYUVODWCOCNSJ-DCGLDWPTSA-N 437.285 2.060 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C#Cc4ccccc4)C3)[C@@H]2C1 1558065627 HEVAGCAUSXQNPY-OTWHNJEPSA-N 425.485 2.079 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1567795982 YRNMDPBYQRFAPA-UHFFFAOYSA-N 430.505 2.131 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1587568129 NLHVYZSCOFYHPR-SFYKDHMMSA-N 442.564 2.177 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1588030074 PCPIRMDHHCKARD-SFHVURJKSA-N 444.557 2.042 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OC 1588280379 KFYJTVJEXJFAQT-UHFFFAOYSA-N 425.514 2.260 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1593711911 LXUFAQUFYYWQHE-NRFANRHFSA-N 426.477 2.305 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1596821214 BXLHURDFUWONFD-OAGGEKHMSA-N 433.557 2.328 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1596830943 GPCDCCYKVRPBNH-ZIAGYGMSSA-N 439.488 2.133 30 10 IEEE N#C[C@@]12CN(C(=O)Cc3ccc(OCCOc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1611164953 JJDIMUMWVRTWPC-CVDCTZTESA-N 440.521 2.084 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCc2ccccc21 1611676822 DMBOVGIVBUERLE-QAPCUYQASA-N 428.562 2.358 30 10 IEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1612319968 GQWAIKFFBZVJND-QGZVFWFLSA-N 431.500 2.147 30 10 IEEE C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1612796658 HAFXJTCLKGYYQV-BFQBXFRASA-N 435.532 2.417 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1614218964 TXGDVDUCTQWKGU-JLXAXMFCSA-N 440.504 2.377 30 10 IEEE CCCCCOc1ccc(Br)cc1Cn1c(=O)c(C#N)cn(CCO)c1=O 1614707796 BUXOGBUIRWIDER-UHFFFAOYSA-N 436.306 2.254 30 10 IEEE Cc1c(C(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(O)n(C)c(=O)c1C#N 1614794532 FPAGCMCENDILBR-VIZOYTHASA-N 443.481 2.494 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccs1 1618377352 GQNPCLCOGNMZKL-CYBMUJFWSA-N 448.350 2.474 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1620038537 UWTIWLADDPMTEH-VGSWGCGISA-N 442.495 2.053 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccn1)c1ccccc1OC)c1cc[nH]n1 1624496752 DEXNKCZPTHCRNC-FQEVSTJZSA-N 437.456 2.003 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc3nc(CO)[nH]c23)cc1 1626003757 GTHCUYKSBSOFGM-HKOYGPOVSA-N 427.486 2.120 30 10 IEEE C#CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1626480950 VYVBSPPMSKZUSX-ZWKOTPCHSA-N 432.565 2.430 30 10 IEEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)CC1 1629536890 HTKKREPHYHAMHP-UHFFFAOYSA-N 441.553 2.301 30 10 IEEE Cn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(-c2ccc(C#N)cc2)n1 1632720124 GAPKZAAKZHQGIJ-GOSISDBHSA-N 436.493 2.200 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(=O)(=O)NC)cc1 1635790071 FIKVPYFUXSHYPJ-INIZCTEOSA-N 445.969 2.289 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1635904858 ZKUJDVUUQUMPRO-HNNXBMFYSA-N 435.974 2.095 30 10 IEEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccc(OC)cc2)ccc1Cl 1636623802 URROEDMJOUAKQA-OAHLLOKOSA-N 448.928 2.454 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)C(=O)OC 1637693952 OZNNLPCJROWBNA-QGZVFWFLSA-N 430.482 2.099 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccco1)c1ccccc1OC)c1cc[nH]n1 1638273274 TYVSTOLFJNDFKH-IBGZPJMESA-N 426.429 2.201 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 1640868096 LCUHBQAHMZHJCF-GUDVDZBRSA-N 432.546 2.275 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)cnn1CCC#N 1646578672 CCIQNXZRUCXNPH-MRXNPFEDSA-N 425.493 2.123 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1649537844 GHYGVUYCRFHWPG-MBSDFSHPSA-N 425.533 2.047 30 10 IEEE CCC(=O)c1cccc(C#N)c1OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1653013713 KQTHTFYLCZKFAL-UHFFFAOYSA-N 435.480 2.319 30 10 IEEE C=CC[C@@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1653340560 HBRUVUKHVAOOKK-QGZVFWFLSA-N 439.965 2.130 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1668982289 FLDOTETXXQCOKG-NRFANRHFSA-N 445.589 2.304 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C(=O)OC 1670894479 YLNOVQFRQOCERC-NPMABZOXSA-N 439.353 2.248 30 10 IEEE CN(c1cccc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1)S(C)(=O)=O 1676677507 UGJDEEJUIZVIQC-OAQYLSRUSA-N 441.557 2.002 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H](c4ccccc4)[C@@](F)(CO)C3)C2=O)cc1 1682022361 YXBQMRXJAMTVSC-DPLHUUCSSA-N 436.487 2.169 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 1686859743 WUBCHAPJINKRIR-LJQANCHMSA-N 441.509 2.346 30 10 IEEE C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1cccc(C#N)c1 1687594853 LUEHXGHQOIDAEI-OLMNPRSZSA-N 448.545 2.047 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689982163 IYOGVBVJVJYGCQ-HTAPYJJXSA-N 442.541 2.479 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1689985811 CAFJPODRZSUCGL-SFHVURJKSA-N 447.580 2.443 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1nnc2n1CCCCC2 1690104966 OGQSJZSZLAFZJO-UHFFFAOYSA-N 437.523 2.460 30 10 IEEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC)C1CC1 1690541397 ZINXSCTZLDUIRS-UHFFFAOYSA-N 425.942 2.311 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCn2nc(C)nc2C1 1690643708 QENCZUFZZOHXBE-UHFFFAOYSA-N 428.541 2.499 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1690648183 MOGTUNUHRLVECW-UHFFFAOYSA-N 436.560 2.258 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccccc2)C1 1690710522 SGYQTMBESOJAEY-WMZHIEFXSA-N 425.533 2.090 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1693876587 OMRBSLHFMZNLFQ-KUOYXJDGSA-N 439.545 2.197 30 10 IEEE CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1695177686 XRKXYLRJHDNLSD-KRWDZBQOSA-N 445.593 2.277 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)c1ccccc1 1698230332 BUTPBKDLHYHOOI-LNLFQRSKSA-N 447.561 2.072 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705515829 OCMFVBJRPQTMJU-IXDOHACOSA-N 430.553 2.382 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCS(=O)(=O)C1 1705601733 UHMUBZJBGXECMB-LJQANCHMSA-N 426.542 2.063 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2COCCO2)CC1 1705643624 MUHCSGKBOBMGCF-LJQANCHMSA-N 427.574 2.049 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)[C@H](C)CC)CC1 1705649463 YPFJALVBCFOFQA-HXOBKFHXSA-N 426.565 2.047 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(F)CCC2)CC1 1705782011 MJODBPGGVXLWLS-KRWDZBQOSA-N 441.573 2.296 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1705834487 LPKFAFMGLQCDHU-MRXNPFEDSA-N 443.577 2.361 30 10 IEEE C=CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1705852424 QTQYSQXUWYVATJ-INIZCTEOSA-N 431.562 2.390 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1705913094 DHQMELASTQENRJ-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1705938549 BVILYVFPLHBLHX-ABSDTBQOSA-N 426.583 2.154 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCc2n[nH]c(C)n2)c1 1722305108 MNTYIFVQFKJEGI-UHFFFAOYSA-N 441.499 2.066 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722324511 SUNDKWZZZWCNPZ-QGZVFWFLSA-N 442.951 2.237 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCCOC)CC1 1722435756 UBCQMKHMXHCFJI-UHFFFAOYSA-N 432.528 2.169 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722628905 CDTIAHWTUMWSLR-IBGZPJMESA-N 441.532 2.043 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](F)COC 1722664418 ZGIQEQTYYFQUPN-CABCVRRESA-N 428.555 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCC2)C1 1723006855 OKBWIDDRRKCREV-MDOVXXIYSA-N 434.516 2.406 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1723772257 IXQBMNRYLATRGX-RHSMWYFYSA-N 444.561 2.002 30 10 IEEE C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726604782 QMEHKBXHDDEMSI-BQOWYSNXSA-N 427.896 2.366 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1729416827 ZBRSIKCTQVYTOM-LJQANCHMSA-N 436.541 2.318 30 10 IEEE COc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1730219806 VTPBBKQHLVRTOA-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1740530934 BHCCHTZUGXURIX-DLBZAZTESA-N 429.546 2.040 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1740621242 JOWFQDIZFVDVSE-JENIJYKNSA-N 430.578 2.132 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740669953 DUEFVCPLIAHPBA-NRFANRHFSA-N 440.567 2.410 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(COC)CCOCC2)CC1 1740693792 MYCKKKPTHOIYOB-UHFFFAOYSA-N 439.560 2.152 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740723065 ONTMIGRZUHNWSG-INIZCTEOSA-N 431.537 2.420 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740783064 JMNDZKPPMYHMOF-UHFFFAOYSA-N 428.512 2.158 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CC1 1740825722 SLKAYUKTMRVPHU-OAHLLOKOSA-N 439.488 2.381 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1740833020 KEPMGDOHEYAYKG-KURKYZTESA-N 438.642 2.411 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1740884772 MIFKKVZLKPBPAQ-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2oncc2C1 1740951227 DFDSXWORXJENPS-AWEZNQCLSA-N 426.452 2.410 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(C)C)C1 1740953339 CICFWTSKLHPHFJ-FQEVSTJZSA-N 435.532 2.499 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1740982909 YIVJYNFOFOCHKQ-SFHVURJKSA-N 433.578 2.148 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1741004113 PDHUQKCLLDEZQO-QGZVFWFLSA-N 439.589 2.398 30 10 IEEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1741452501 FUPYBJNGZQJPBX-UHFFFAOYSA-N 430.578 2.497 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(=O)NCC(F)F 1741484398 FTTRFVHYLWEAPX-QGZVFWFLSA-N 432.475 2.307 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1747992158 IULGMPCDUBYJGP-SFHVURJKSA-N 429.546 2.114 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1F 1748640475 VQGVNUAPFFLBPE-GJZGRUSLSA-N 439.582 2.419 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1748811137 CEJHVSSAACMWOT-GOSISDBHSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCC 1748828784 LTQHYRDHLZBKCY-QFIPXVFZSA-N 442.589 2.171 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nnn(C)n1 1748834431 NKQZNFRSESIIMU-UHFFFAOYSA-N 432.488 2.457 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1748964696 MUVUDVOZOQAYTQ-INIZCTEOSA-N 431.503 2.216 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CC1 1748978856 QOPCOZBUULHEIG-UGKGYDQZSA-N 433.622 2.217 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2noc(CC)n2)CC1 1748999057 GWAOTVVGJBQIKJ-UHFFFAOYSA-N 449.559 2.417 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)cn2)CC1 1749008504 AAEQOXJJHKYGOE-UHFFFAOYSA-N 433.491 2.197 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCCC2)CC1 1749017000 SHHFBIMOLAUJSQ-UHFFFAOYSA-N 439.535 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1749136613 PTTMNTJDYQGXFC-KNQAVFIVSA-N 430.597 2.302 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1749698515 BQSNQANKCMSQGD-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCOC1 1749736740 NWOMQPHMPPIZBW-MRXNPFEDSA-N 439.607 2.097 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOCC1 1750467895 UUAGZHRHLWVORG-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@H]1CCCO1 1760102712 PDDHOOSHSNVPET-IEBWSBKVSA-N 446.573 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(=O)(=O)CC 1760105570 FYGOQJJRBLVTPP-CQSZACIVSA-N 439.969 2.394 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760186773 GIYXVDBEUWJEPQ-QZTJIDSGSA-N 431.562 2.068 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-n2cncn2)nc1 1760214239 GTLXEUDCJDAZCT-UHFFFAOYSA-N 433.479 2.304 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1760263362 YMGZRJFKDLFXSI-CJFMBICVSA-N 437.588 2.378 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1760865906 GCMILJFKURFSGN-FCHUYYIVSA-N 442.543 2.301 30 10 IEEE CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1762130932 BDGIIDVSXJWMAC-UHFFFAOYSA-N 449.563 2.477 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1764754740 FRVGYGMYAAGVFT-OXJNMPFZSA-N 442.589 2.313 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N 1767843051 BROLWODGSYQMJD-AWEZNQCLSA-N 436.607 2.421 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1768339668 LTJWOCABSZIMDW-MRXNPFEDSA-N 446.939 2.498 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1770329123 CZHNBEHCIWUGRX-HXUWFJFHSA-N 433.509 2.220 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 1770674852 DPHJTLAOGPUTGG-UAPYVXQJSA-N 426.496 2.250 30 10 IEEE COCCOc1ncccc1Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1771237159 CKROGHWCWNTVQQ-QGZVFWFLSA-N 438.463 2.281 30 10 IEEE C[S@@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1771370461 GCXDUJONAVJBDZ-SSEXGKCCSA-N 428.562 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)Nc2ncc(C#N)cc2Cl)CC1 1851274849 KTCYXCPTEIYKOV-KGLIPLIRSA-N 433.896 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852629803 NIYHDKFFFMCHFQ-SFHVURJKSA-N 429.521 2.018 30 10 IEEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 1853749185 YXTQPSOBQZQKGI-INIZCTEOSA-N 437.949 2.114 30 10 IEEE Cc1cnc(C(F)(F)F)c(C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1 1854779805 VQRLNWOTZPJDNB-CYBMUJFWSA-N 441.387 2.442 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nsc3ccccc23)C1)[C@H]1CCN(C)C1=O 1857074038 ACDJGQWTLVEWIN-WBVHZDCISA-N 426.542 2.394 30 10 IEEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 1869931890 LDFLZVVSFWWBHS-UXHICEINSA-N 440.569 2.457 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870982719 DSABVAGJCQINQU-GOSISDBHSA-N 437.500 2.197 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)nc(Nc2ccc(F)cc2)[nH]1 1871516592 ZZSJIBZUMFZKAK-UHFFFAOYSA-N 427.528 2.489 30 10 IEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCCCCN3CCCC3)ncnc21 1875231038 XOGFRAJGJFXGQA-UHFFFAOYSA-N 425.581 2.293 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 1901464335 CFKJFUPTLOWUAN-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2009972820 SCKJAFRNVRLNHJ-LSDHHAIUSA-N 441.525 2.378 30 10 IEEE N#CC1CCN(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)CC1 2174784805 RUHYVWMGNLDDEG-UHFFFAOYSA-N 438.525 2.197 30 10 IEEE NCC(=O)NCC#Cc1sc(Br)c(Br)c1Br 2212189129 IFGNFUVSPCFKSN-UHFFFAOYSA-N 430.947 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247918323 JGCPCCKTAWLZBS-UHFFFAOYSA-N 441.334 2.131 30 10 IEEE C=C(CN(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 2248398693 WBBQBCRFIGCMAR-CQSZACIVSA-N 426.319 2.089 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603116 BEEJUTYAGDGZFO-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1CN(C(=O)OC(C)(C)C)C1 2255681157 QBEOCNNADDVOCV-UHFFFAOYSA-N 433.358 2.406 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2255826396 AIIWTGODRKIOGU-CQSZACIVSA-N 434.346 2.038 30 10 IEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260821981 OENQGQNLWJBRQI-ROJDOSBLSA-N 432.330 2.375 30 10 IEEE Cc1nn(C)c(C(=O)N(C)CC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267146479 KTOWKNKLDAQKEG-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC[C@]1(NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267493678 LWVYBWCBOIJQFN-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2267538688 WLECWPHASBOCDA-INIZCTEOSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@@H]21 2267696807 HPBCBGOXJMJIQO-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267872731 VFTZUNPITVOYKU-UHFFFAOYSA-N 444.341 2.073 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268633937 FPHCLLFYPFOVDQ-KSSFIOAISA-N 446.353 2.149 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2270603057 ZOCKQDXXEKSBBZ-UHFFFAOYSA-N 443.275 2.090 30 10 IEEE CCOC[C@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccc(Br)cc1 2278789291 GXTNFHXXAFSVHY-QFBILLFUSA-N 427.339 2.420 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2300303074 GMNXYRROENZLGR-UHFFFAOYSA-N 425.363 2.400 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2315514996 GCPQUNVIZCQRPE-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)n1C 2315634466 YWACUYSJMQEXHL-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(OC)c(O)c1 2331571307 PHIXCCUSRTWPJO-UHFFFAOYSA-N 431.474 2.022 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1 2337201884 ATIUCMDSNRPOBU-IBGZPJMESA-N 438.381 2.361 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 2337298670 JKXUWMRWTQLWPB-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2366835338 LDIVPUWZOHLMAL-WFASDCNBSA-N 439.306 2.478 30 10 IEEE C#CCN(C)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1 12483000 MPZBBRZIMARMCY-VXKWHMMOSA-N 449.599 2.247 30 10 IEEE biogenic CCOc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)c2C)nn1 26020866 AMDGPFUDSDBSLS-UHFFFAOYSA-N 435.463 2.343 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 32538576 RIPJWILWFVAFEF-FQEVSTJZSA-N 439.482 2.316 30 10 IEEE COc1ccc(/C(C)=N\Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)c(OC)c1 59022699 NLXWMHYZIBUHEP-UKWGHVSLSA-N 434.507 2.240 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3c(C)cccc3C)n[nH]2)cn1 59886965 YXJJFZGEECCLIV-AWQFTUOYSA-N 428.522 2.441 30 10 IEEE N#CCCN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Cc1ccco1 96970590 OHSOGVUSEPOUAN-RQZCQDPDSA-N 442.541 2.140 30 10 IEEE COc1ccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254412224 RFONJIXBOMSLBV-MSOLQXFVSA-N 432.523 2.376 30 10 IEEE CCCOc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 431643198 MKJKEKMAQLVADJ-UHFFFAOYSA-N 427.526 2.423 30 10 IEEE Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 433884807 KTWDKSNBQXXLNW-INIZCTEOSA-N 439.335 2.433 30 10 IEEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)NC[C@@H]3COc4ccccc4O3)c2c1 441824675 SZELSFCHTLFQDD-MRXNPFEDSA-N 435.436 2.459 30 10 IEEE CC(C)(C)n1nnnc1COc1c(I)cc(C#N)cc1[N+](=O)[O-] 463447341 YVMYEGSOQGZMFH-UHFFFAOYSA-N 428.190 2.392 30 10 IEEE C=C(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 464566511 FIDNOVDEHSATOK-KRWDZBQOSA-N 437.562 2.085 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 466104317 GATGCGPXKRIQNG-UHFFFAOYSA-N 448.932 2.307 30 10 IEEE C=CCCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 468401316 JGPVPUVWSKBANH-UHFFFAOYSA-N 434.562 2.092 30 10 IEEE COc1cccc2c1CC[C@@H]2NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471493001 ZEYBCAQMPNHYTF-IBGZPJMESA-N 440.525 2.270 30 10 IEEE COC(=O)C[C@](C)(NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Br)cc1 474380262 ZGEYGJOBMIAZES-KRWDZBQOSA-N 438.303 2.473 30 10 IEEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265419 QOZZYSGZBIZTNB-UTKZUKDTSA-N 439.560 2.241 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1C#N 489517589 DWZACVIBWZLVFQ-QGZVFWFLSA-N 436.440 2.337 30 10 IEEE N#Cc1ccc(Cl)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 505587200 YYDYCNNGCZMUTB-UHFFFAOYSA-N 425.919 2.224 30 10 IEEE Cc1cc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nn1-c1cccc(C#N)c1 506186593 BFEBRIDQQTTZPG-SFHVURJKSA-N 434.544 2.258 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCC(C)(C#N)CC3)CC2=O)cc1 507841328 OSHXIKOVFCFCPR-QGZVFWFLSA-N 446.573 2.222 30 10 IEEE C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2C(=O)OC)CC1 513016945 HRAWBWUHGCLFQT-UHFFFAOYSA-N 438.322 2.331 30 10 IEEE COc1ccc(Cn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccn3)c2=O)cc1 523306633 ZNTDDCUWFBAOLY-UHFFFAOYSA-N 431.517 2.234 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)n1 523462327 VUHMAPRBMZBWIN-AWEZNQCLSA-N 428.518 2.055 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 534914171 RXCVCMFQKVFYIQ-FQEVSTJZSA-N 425.510 2.209 30 10 IEEE CCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542727332 ILJWJBIXXHVHNG-UHFFFAOYSA-N 440.525 2.052 30 10 IEEE COc1c(Br)cccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C)c1=O 548150296 UICBFZVPCXJIBP-UHFFFAOYSA-N 433.327 2.090 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 549644634 AAHMGTBDINTAJS-FQEVSTJZSA-N 445.527 2.351 30 10 IEEE N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 561342379 NBJNTLHYXGRTII-CABCVRRESA-N 431.901 2.409 30 10 IEEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 564171925 ZMIAIUJHOATLKZ-OAHLLOKOSA-N 445.549 2.053 30 10 IEEE COCc1nc([C@H]2COCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)no1 568142004 KIPMNDMRXGPPLE-GOSISDBHSA-N 429.452 2.043 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 576851763 XYIABZIYWPUKBC-OAHLLOKOSA-N 448.570 2.097 30 10 IEEE COc1cc(CNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)ccc1C#N 579540086 AOTQZXURLWNNRJ-NRFANRHFSA-N 435.528 2.264 30 10 IEEE COc1cc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)ccc1C#N 584321020 ZAHYPTCJGOADBF-UHFFFAOYSA-N 430.486 2.338 30 10 IEEE N#Cc1cc2c(nc1NC[C@H]1CCCCN1CCn1nc3c(cc1=O)COCC3)CCC2 585625522 KZEHMQJRJUVUIS-HXUWFJFHSA-N 434.544 2.038 30 10 IEEE COc1ccc(OC)c(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)c1 586341738 VGGINXIWQRPSCJ-PMERELPUSA-N 447.538 2.452 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 609075741 IOLNZUMQDQNIEV-UHFFFAOYSA-N 439.946 2.048 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1 610472111 HGOCVSLYZBYMMI-KRWDZBQOSA-N 426.452 2.214 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669816733 USNICZVQTMSIOF-FHWLQOOXSA-N 436.516 2.182 30 10 IEEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@H]1CCCO1 730138136 JISLFKZBQHMYEV-IEBWSBKVSA-N 432.590 2.427 30 10 IEEE CCOC(=O)c1sc2ncc(S(=O)(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2c1C 732669180 HWDUTVNJMSSMGC-CQSZACIVSA-N 434.543 2.142 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 758224796 XFQUBBLROGFUOR-UXHICEINSA-N 448.608 2.134 30 10 IEEE CCn1c(=O)c2ccccc2n2c(COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nnc12 780177981 BHZSGOOJAUTFBO-QFIPXVFZSA-N 439.472 2.369 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cc(F)c(F)c(F)c1 780805429 XKEROMZJLABQMG-UHFFFAOYSA-N 425.432 2.282 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H](O)c4ccc(C#N)cc4)CC3)cc2NC1=O 780922335 IBXYFHIVHDUURO-FPTDNZKUSA-N 433.464 2.433 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 784844320 JEFQAXFYZHXVNS-UHFFFAOYSA-N 426.494 2.108 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCSc1ccc([N+](=O)[O-])cc1 784933900 DUBCTHJTOYQHIH-CYBMUJFWSA-N 435.483 2.469 30 10 IEEE C=CC[C@]1(C(=O)NCCS(=O)(=O)NCC2CCC2)CCCN1C(=O)OC(C)(C)C 790616411 MRBSGWFOUWGLCT-HXUWFJFHSA-N 429.583 2.168 30 10 IEEE Cn1cc(C#N)cc1C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 800914914 BIPPHGKFUSTKPC-OAHLLOKOSA-N 429.443 2.110 30 10 IEEE C[C@@H](C#N)OCCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 801817417 YESFDMVJGNBTSH-WFASDCNBSA-N 431.308 2.074 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cnccn2)CC1 802577222 XYBFBSUNGUEVND-UHFFFAOYSA-N 448.531 2.397 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 803627539 PLALNPUTGRGQAO-IEBWSBKVSA-N 428.533 2.479 30 10 IEEE C#C[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)c1ccc(Cl)cc1F 804421027 IDVUKAXGXFDLCI-OAHLLOKOSA-N 428.844 2.307 30 10 IEEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Br)cc1F 806780429 ABAXXUJFYHOXRN-OGNJIVFWSA-N 425.258 2.475 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3ccc(OC)c(O)c3)n2N)c1 1084136095 CIAJOJZYPLIQOQ-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(C)o3)n2N)cc1OC 1084588437 HBJVWLSKAZYCJK-UHFFFAOYSA-N 431.478 2.087 30 10 IEEE C/N=C1\S/C(=C\c2ccc(OCC(=O)O)c(I)c2)C(=O)N1C 1084589165 KLCVBCQOJNVNHS-PYMZAMRJSA-N 432.239 2.287 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1136574965 IGKAJMPMGHLRJJ-XMSQKQJNSA-N 433.553 2.225 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1139092343 DPQYCZUGEQNXAF-QGZVFWFLSA-N 432.521 2.351 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1=O 1156427503 XGCUMOXKFIFZGM-GOSISDBHSA-N 444.941 2.303 30 10 IEEE COC(=O)[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccnn1C 1171500446 AMIPJEXUDDPVIT-FQEVSTJZSA-N 438.463 2.281 30 10 IEEE C#CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCc2ccccc21 1198104460 OBHDHCZCQRWFHS-QFIPXVFZSA-N 425.554 2.006 30 10 IEEE CS(=O)(=O)c1cccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 1211856659 DRCLSGAKDAYLLB-UHFFFAOYSA-N 429.317 2.203 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1213276101 FKZRBRVEVSDDQE-KZNAEPCWSA-N 442.603 2.060 30 10 IEEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1253510283 DIUDUAOYBBTYQM-UHFFFAOYSA-N 441.550 2.301 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCNC(C)=O)c1 1286311673 PARJAAZMMABGNP-FQEVSTJZSA-N 438.532 2.102 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)OCCCO2 1286398917 TVFAHDNNJAUMGI-UHFFFAOYSA-N 435.528 2.479 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286494868 QAOXLXUNILKYFW-INIZCTEOSA-N 447.634 2.122 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286603009 IWXZABDEPZNHBU-UHFFFAOYSA-N 437.566 2.347 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1286776090 CFFOUIPPVIBKPR-WBVHZDCISA-N 437.591 2.070 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1286789994 AXEHKXPSOFYJGR-UHFFFAOYSA-N 430.528 2.253 30 10 IEEE CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1287091182 RJKRJLQIVZEODL-NRFANRHFSA-N 443.483 2.406 30 10 IEEE CC(C)=CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1287103860 YIOLZCPBWPTSNH-UHFFFAOYSA-N 439.568 2.013 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1288519778 PXMRUPQDPIZXGT-IRXDYDNUSA-N 443.552 2.165 30 10 IEEE CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCC1 1289052649 RQUFMAZNWUCZRL-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1291629638 QOFOPZDWFPBUOD-GOSISDBHSA-N 439.564 2.439 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1296123504 ABHNORDAHMMPIM-AQNXPRMDSA-N 437.592 2.456 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1300382594 WVARUOYXPRFMQN-UNMCSNQZSA-N 449.559 2.399 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300487488 KCMHZMOYMMMBOR-FQEVSTJZSA-N 441.601 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CCC1 1300590743 GDRWOCFHFYEKTG-SSEXGKCCSA-N 443.598 2.034 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300650535 TXASBSQPPOOXQT-UHFFFAOYSA-N 439.608 2.247 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1300706965 USTKDZMVZFROJR-NRFANRHFSA-N 428.625 2.267 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300889858 RSSRJRRVZLXGCX-JTAQYXEDSA-N 440.592 2.402 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1300900983 VGXOCXXVSBFZLR-YWZLYKJASA-N 439.557 2.338 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301500354 LPJBGSQDWVHIQL-CRAIPNDOSA-N 427.505 2.097 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1cccc(OC)c1 1301510146 UJTUCLCVIGHURZ-IBGZPJMESA-N 438.532 2.053 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCn1cccn1 1301578509 CNRAYVFRUVVEAN-UHFFFAOYSA-N 439.545 2.360 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1301967580 DZBHYKPAXZWCKB-IEBWSBKVSA-N 431.562 2.383 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1302320876 KPPKYTUTLSSKPR-UGDMGKLASA-N 440.573 2.080 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 1302617181 BBHLYVWOYQBTNZ-UHFFFAOYSA-N 429.498 2.002 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(Br)cn4ncnc34)C2)nc1 1303899481 JZRUALIKXOWLME-CQSZACIVSA-N 426.278 2.475 30 10 IEEE N#Cc1ccccc1OCCN1CCN(c2ncc(I)cn2)CC1 1307981096 QJKFPTQYZPKDFG-UHFFFAOYSA-N 435.269 2.154 30 10 IEEE CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1314185209 FCTHKPKOVBCKGY-HRAATJIYSA-N 446.577 2.465 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1314939297 KVBIOHCRMLFLIX-CYBMUJFWSA-N 447.337 2.209 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCc2ccco2)C1 1316530051 DEKOXTAJHGPGSP-OAQYLSRUSA-N 444.417 2.498 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC2CCOCC2)CCO1 1316539545 DOUNEUALFZFERZ-FQEVSTJZSA-N 429.496 2.322 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 1324980904 WMRZKWUSSIMLOD-UHFFFAOYSA-N 427.530 2.322 30 10 IEEE COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)ccc1C#N 1358274831 SEXMSZLHPRNWNX-UHFFFAOYSA-N 428.514 2.145 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1358876443 JUXOGBBDSMCAHB-IAGOWNOFSA-N 431.562 2.080 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1cc(CO)nn1 1358880971 WOVUJEZVGUEXOK-CQSZACIVSA-N 429.912 2.239 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358892608 CSYXYDUIVPTCLM-HKUYNNGSSA-N 431.548 2.223 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCC1 1358897005 QUGMVPQMICOSQI-MRXNPFEDSA-N 428.562 2.130 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc2c(c1)OCCO2 1358981858 AKXGEWGRXMXBCE-UHFFFAOYSA-N 430.512 2.226 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1359136776 UXMDQZIIVVJMCL-HSZRJFAPSA-N 439.516 2.317 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@@H]1C 1359263423 BCEOCBVWGRKCPP-UAGQMJEPSA-N 437.591 2.446 30 10 IEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1COCCO1 1359267823 TYRGBFIXQVMXCI-KRWDZBQOSA-N 446.577 2.140 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nnc(C(C)(C)C)s1 1359282790 QRLWVYRFVBEVQV-UHFFFAOYSA-N 433.582 2.237 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCS(=O)(=O)C[C@@H]3c3ccccc3)CC2=O)cc1 1439693773 OBCFTHWYMDMESC-PZJWPPBQSA-N 437.521 2.300 30 10 IEEE N#C[C@H](CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1443607049 COQWCWKPLCZOEY-LEWJYISDSA-N 434.544 2.171 30 10 IEEE C=CCOc1cccnc1C(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1452933595 OGQKGIXMDXOQHE-MRXNPFEDSA-N 429.517 2.441 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(Cl)ccc1Br 1462872171 JIIPEDSWLOSKHB-ZDUSSCGKSA-N 440.768 2.055 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1469950558 DQPOPBKFVRIHKS-UHFFFAOYSA-N 436.484 2.435 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2nnn(-c3ccccc3Br)c2C)c1C#N 1472483853 VZTRHIWLRQFXKM-UHFFFAOYSA-N 443.309 2.337 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC)[C@H]1CCCO1 1478479661 RTEMJFSRBQGWPR-RPVQJOFSSA-N 425.323 2.089 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1499949926 RQKVJYKSTOLSDF-HSZRJFAPSA-N 432.532 2.484 30 10 IEEE CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1501532168 PGVDTDNGZHHSDO-ZSVKVYQISA-N 446.552 2.080 30 10 IEEE COCCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1504837322 DTVMBMDBDWQIRE-XMSQKQJNSA-N 442.495 2.135 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507553321 ZSBKHPDFXFZBLP-UHFFFAOYSA-N 448.527 2.050 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CCC)C1 1507644158 BASGSCKRNLWBPZ-LJQANCHMSA-N 439.585 2.153 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1507789633 GNVDCSDKUUHXPJ-UHFFFAOYSA-N 447.337 2.044 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 1507796618 PWFHQRIMMNPZBK-IIBYNOLFSA-N 441.532 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1507971647 BHDWJIBORMAOLC-MRXNPFEDSA-N 426.546 2.430 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 1508071767 DOHODUCFPOLJKV-IBGZPJMESA-N 440.548 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccoc1C 1508073195 MJGPGDYTLGYIQK-UHFFFAOYSA-N 443.529 2.189 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1509946458 GXMBCFJJPQMFTP-MSOLQXFVSA-N 447.584 2.421 30 10 IEEE C[C@@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512150912 VOVDGNYLYZAIAM-OVGZCAFISA-N 428.537 2.325 30 10 IEEE COCCOCCCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519398830 HLZHFRAMFXGTRH-UHFFFAOYSA-N 449.515 2.237 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCNC(=O)c2cccc(O)c2)C1 1521069167 FHFMZBUWWBJPCB-HSZRJFAPSA-N 449.490 2.232 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@@H]2CCCO2)CCO1 1521122811 ZYIDOGBZEOTPMJ-RBUKOAKNSA-N 442.476 2.168 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2S(C)(=O)=O)ccc1F 1528688727 LIGWABHAEGCNLT-UHFFFAOYSA-N 426.491 2.254 30 10 IEEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1535217614 GKPCPHRFYPCKPJ-RDTXWAMCSA-N 433.892 2.134 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 1538982782 MLSREBDIAHBWHE-IRXDYDNUSA-N 427.567 2.389 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539133334 FCXKCCKMMPLGTK-DENIHFKCSA-N 426.609 2.413 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539210024 AIBJHKKTWHURLQ-GOSISDBHSA-N 425.489 2.154 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2ccccc2F)CC1 1539429725 BZGZQWQJQICGBM-XMMPIXPASA-N 441.551 2.457 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O 1540185218 NVIAMPKWCYUHLT-LJQANCHMSA-N 444.561 2.474 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540915988 QSFSWSARSGJOBT-KRWDZBQOSA-N 445.593 2.217 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1541803151 DGHNOWFPOPFNIQ-LVCYWYKZSA-N 434.610 2.118 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1541888520 DBRAYZOZIXFKCM-CJNGLKHVSA-N 439.488 2.110 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(CC)(CC)C(=O)OC 1546038979 HSTBBKZUVVFYJY-INIZCTEOSA-N 437.562 2.380 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1555269371 MUAQHEZOLGBFPN-DENIHFKCSA-N 439.495 2.287 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1CSc2ccccc2O1 1557167894 CBENLBUDRQUQQS-GOEBONIOSA-N 431.539 2.285 30 10 IEEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1558225335 GLWHPTRBOZNBDB-CVDCTZTESA-N 449.555 2.144 30 10 IEEE CCOC(=O)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)C1(C#N)CCSCC1 1558307034 BVYLEOCJFLEBFA-OAHLLOKOSA-N 425.551 2.328 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1561155053 SURMRUMZBQWYOT-GFCCVEGCSA-N 428.757 2.466 30 10 IEEE CCOC(=O)c1cnn2ccc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc12 1563341171 GVAXMQLHIUISMC-BBRMVZONSA-N 442.476 2.392 30 10 IEEE CN1CCC[C@H](N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)C1 1565741956 TZSSGPSIPOMOIL-PGPPMQCXSA-N 445.608 2.012 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1586376913 BFJARUVGFVLAMQ-MRXNPFEDSA-N 430.482 2.374 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2COC)CC1 1588732446 ASJROCAFMBLGSM-UHFFFAOYSA-N 438.576 2.146 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCSC2(CCOCC2)C1 1593691144 SAHLVUMIVAVXPR-UHFFFAOYSA-N 435.594 2.209 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1)c1ccccc1 1593782103 GQIIBBYWHCPQBP-AYBZRNKSSA-N 433.578 2.463 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)c1ccccc1 1593782502 PCGCDDMESAYGDK-IJXRJRJASA-N 445.589 2.320 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1594857487 KASMXUPSRUVVRG-JTQLQIEISA-N 434.385 2.383 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1595534291 GJLUMFCGQBFRKD-AOMKIAJQSA-N 425.489 2.325 30 10 IEEE C[C@@]1(C#N)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CCO1 1598178249 LVXTWZGRAKRFQG-LAUBAEHRSA-N 445.520 2.496 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1 1618653552 FXNNOYQGFKXJNZ-RBUKOAKNSA-N 438.532 2.118 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1618729438 BJWAWSSAJGTFKQ-LJQANCHMSA-N 426.517 2.422 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(OC)CCOC2)cc1 1619234108 HOZLVVBTRIDPSR-VXKWHMMOSA-N 429.496 2.319 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1ccco1 1620002086 NUQBHGMBTSJGLY-IIBYNOLFSA-N 430.509 2.155 30 10 IEEE CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(O)C2=O)c(Cl)cc1Cl 1624906337 GHAXJSMTZAKOQP-ZANVPECISA-N 438.333 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1626943639 JRRSBBCFGGQUAS-MSOLQXFVSA-N 433.530 2.083 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@H](C)O)cc1 1638247956 AYGSTCWZACHOQD-JHVJFLLYSA-N 427.526 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC[S@@](=O)CC(F)(F)F)C2)C1 1640357896 YDNKTWPOEVNBEY-JBTGBTRTSA-N 437.484 2.200 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 1642870294 JBFSDCBUOJPOLD-KRWDZBQOSA-N 429.502 2.432 30 10 IEEE C[C@@]1(CO)CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C[C@]1(C)CO 1644132834 FWDIJFVTKWPMNR-PLQXJYEYSA-N 436.556 2.479 30 10 IEEE COC(=O)CN(Cc1cccc(Br)c1)Cc1cc(O)n2ncc(C#N)c2n1 1645486711 HGTQXOWEIFYKDB-UHFFFAOYSA-N 430.262 2.244 30 10 IEEE C=CC[C@@H]1CCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1646494730 UPOTYOOEBXMFFS-QGZVFWFLSA-N 446.573 2.187 30 10 IEEE CC[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H](CC)O1 1654782270 HOAXNBQNYKTXIT-IRXDYDNUSA-N 427.505 2.344 30 10 IEEE CCOC(=O)c1c(NC(=O)NCCC(=O)NC2CCCCC2)c(C#N)cn1CCOC 1660529899 BHEUKVGBHRWIID-UHFFFAOYSA-N 433.509 2.143 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675114121 YZBNIEOMGLBARI-IAGOWNOFSA-N 448.568 2.454 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689864771 HZRIZDYLIBOZOP-QZTJIDSGSA-N 445.589 2.159 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1690012146 RWXNPEJTJJRCPC-HSZRJFAPSA-N 443.555 2.133 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1690045872 SAHTVGIHXTZSSL-LJQANCHMSA-N 431.475 2.065 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccnc2OCC(F)F)CC1 1690137213 QKMRGTVLBNIEMZ-UHFFFAOYSA-N 446.502 2.455 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690311654 QGSGDRHLEIOXLP-GOSISDBHSA-N 429.521 2.320 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690481464 GLRBTZBLCRKOPT-AWEZNQCLSA-N 428.459 2.090 30 10 IEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690749629 KKRGMGMEYRHMOJ-HNNXBMFYSA-N 441.648 2.320 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690750059 YOTKTKSCCKDAHG-GOSISDBHSA-N 444.609 2.370 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H](C(F)(F)F)O1 1693776073 WCJAPMCOLGAEON-CJNGLKHVSA-N 447.425 2.050 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1698238601 NEXHUVLSDBWQTE-JTAQYXEDSA-N 441.532 2.316 30 10 IEEE C[C@H](Cn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 1698452499 UXFQCZTZTQKQCI-CRAIPNDOSA-N 429.569 2.320 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1705491590 FQZABAZLUQQJTR-CABCVRRESA-N 428.514 2.441 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1705511282 OPMVGYFXKVLJAZ-INIZCTEOSA-N 441.532 2.476 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705514013 HEBXMHGRENDLRT-DENIHFKCSA-N 435.576 2.132 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1705587857 MHDCLQRXUPTXMD-QZTJIDSGSA-N 434.606 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CCC)C(=O)OC(C)(C)C 1705596536 HLOHYESULPYHTN-SFHVURJKSA-N 442.564 2.339 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](OC)C(C)C)CC1 1705638346 HMTRLQSGJQNOFQ-LJQANCHMSA-N 435.532 2.020 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CSCCS2)CC1 1705641280 YPZXHZIZXBANNI-KRWDZBQOSA-N 434.660 2.238 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1705914258 KDTDMPAOFQBATA-WOJBJXKFSA-N 430.597 2.416 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCn1ccnn1 1706139937 AVXLGFNAGCFHDI-UHFFFAOYSA-N 434.552 2.142 30 10 IEEE CCOC1CC(O)(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C[C@@H](C)C#N)C1 1710602185 BZJOEIXKLVCLRV-JUTLFCHVSA-N 429.521 2.488 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)C1=O 1711271550 WKELXQGNDZRLQC-YJYMSZOUSA-N 435.315 2.459 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1711301826 YJANQFKXXCBPON-AEFFLSMTSA-N 432.532 2.094 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)C[C@H]1O 1711460814 USQYYWIODVISOS-GUDVDZBRSA-N 441.557 2.463 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722367502 NMEZTDUKMAXUNF-RBUKOAKNSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1722378119 PTEAWPVJWLQEHI-OAQYLSRUSA-N 430.512 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1722390397 CGPXOEQGSWEQPD-NFBKMPQASA-N 442.560 2.325 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722415043 IKYZHQOSCYBWDE-GOSISDBHSA-N 427.530 2.013 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2ccnn2C)C1 1722464777 RISZEOOKRPZTDW-BJLQDIEVSA-N 444.605 2.486 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722493385 JJKSDTIKJYSATL-TZIWHRDSSA-N 445.589 2.469 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722535302 FABPDTWJMGGGIQ-HSZRJFAPSA-N 425.533 2.209 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722573468 ZCLKXIOCDYGYDP-LJQANCHMSA-N 431.629 2.092 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1722606592 CQCDKCJVOWHXFS-UHFFFAOYSA-N 431.562 2.420 30 10 IEEE C=CCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1722621957 DFGHEWGLYLREJM-DENIHFKCSA-N 430.553 2.307 30 10 IEEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1722648286 LVZZGHLMXNAENK-LSDHQDQOSA-N 429.484 2.498 30 10 IEEE CC[C@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1727700568 VGZWHUDMLXCGQJ-AEFFLSMTSA-N 446.577 2.293 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1730946985 SJKSBEOEGLMZMD-ODYMNIRHSA-N 437.426 2.220 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](Oc4ccccn4)C3)n2CCOCCCO)cc1 1731181726 NZCOKWJABVHZSF-FQEVSTJZSA-N 434.500 2.268 30 10 IEEE N#CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1731186175 QVHPOTYHKHYQIO-INIZCTEOSA-N 445.886 2.466 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CCC1 1740540724 YIPBTXJAEPLQHW-JMGYQRAPSA-N 434.587 2.108 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1740589995 DXBNLLJMGOKMJA-CEXWTWQISA-N 449.621 2.115 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1740663637 OCXWWZZYEFTLAI-DEOSSOPVSA-N 439.560 2.275 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCn1cc([C@@H]2CCOC2)cn1 1740725909 RCWOZZPFEUCNIM-DNVFCKCGSA-N 442.564 2.395 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1740761857 PMENTUSXNLUMFC-MKXGPGLRSA-N 438.594 2.024 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1nncn1CC 1740917315 ODUGPWQARNOAAK-UHFFFAOYSA-N 445.531 2.124 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1740937823 PSCBDOBZOKRGIG-QGZVFWFLSA-N 426.521 2.103 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2nc(C)cc2C)C1 1740970547 NPAOVLFDSMQLMD-LJQANCHMSA-N 427.553 2.199 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1Cc1ccc(C#N)o1 1741685149 XZUSJPVBPXFEEY-FQEVSTJZSA-N 434.500 2.377 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(O)(C(F)(F)F)CC1 1748747694 LHMARQIPYBMVCZ-UHFFFAOYSA-N 425.411 2.313 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nccc(C(F)F)n1 1748906324 BBJXKQXHXCVEIH-YJBOKZPZSA-N 430.459 2.241 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1749064446 WIZXYEIENBZLRF-HSZRJFAPSA-N 431.500 2.253 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749198585 NFDVNTODWKQTNF-FQEVSTJZSA-N 429.550 2.024 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1749547224 LNRPXNLJWMNYRD-IEBWSBKVSA-N 429.496 2.366 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1750089956 NGQLGRQVHQFIRW-UONOGXRCSA-N 441.504 2.356 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1)C1CC1 1750202439 GSZFEXKRILQOQC-MRXNPFEDSA-N 429.546 2.257 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CC1 1750211197 GAYLKRYIFOMTDI-INIZCTEOSA-N 446.602 2.088 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1760125412 YXPYGACEHYAZPQ-MRXNPFEDSA-N 432.463 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=C)Br 1760196691 LCDHOCYKMSRNMI-UHFFFAOYSA-N 433.331 2.330 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1760232475 GSICXDUXKOAMPW-WJOKGBTCSA-N 438.557 2.046 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCN(CCc3ccccc3)C2)CC1 1760263640 JOPMHKHSGXCMSM-HSZRJFAPSA-N 436.604 2.134 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760357777 NHZQYCXQMGBINZ-QFBILLFUSA-N 427.505 2.050 30 10 IEEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1760474706 DUNXCODQHNELFC-UHFFFAOYSA-N 426.540 2.327 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCS(C)(=O)=O 1760479919 DXQNMVLCBBDSNN-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[S@@](=O)C(C)(C)C 1760503395 HUUPZQJQIWRYFC-SSEXGKCCSA-N 437.566 2.192 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1760534168 ZXOHLCULUUMINE-LJQANCHMSA-N 427.549 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CCc2ccccc2)CC1 1760554022 ORJDLKLEEMAKSF-UHFFFAOYSA-N 429.590 2.121 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)N2CCOCC2)CCOC1 1761285825 OSLKSSAIEJRTDD-WTIAFYNJSA-N 446.596 2.169 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](COC)C1 1766979582 CDLZNIFPPZSQMZ-SFHVURJKSA-N 436.520 2.251 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1768832218 CNNNPRCCRNFSDC-XUVDNFPMSA-N 428.415 2.045 30 10 IEEE CN(CCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1768891963 CODRCWUHIPFTTF-SFHVURJKSA-N 441.536 2.250 30 10 IEEE COCCOCc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770129028 UIQPQJKZOIVSRP-RTWAWAEBSA-N 441.532 2.112 30 10 IEEE COc1cccc2c1CCN(c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)C2 1770383415 ZBEHCTOJXNJHRS-XDOYNYLZSA-N 436.516 2.499 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)F)C1 1770832390 AQGWSMGEJNFAIW-WATITHJCSA-N 443.458 2.348 30 10 IEEE C=CCN(C(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1)[C@H]1CCN(C)C1=O 1850381871 HKJDEGMOPOPAKY-QHCPKHFHSA-N 433.556 2.263 30 10 IEEE N#Cc1ccc(CNC(=O)CCCCCN2CCN([C@H]3CCCCNC3=O)CC2)cc1 1852049012 LKGICYDSBSGESA-QFIPXVFZSA-N 425.577 2.021 30 10 IEEE N#Cc1ccc(C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)cc1F 1852866247 KDSPRXQTFYBMAI-LJQANCHMSA-N 444.484 2.460 30 10 IEEE C=CCNC1CC(C)(C)N(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)C(C)(C)C1 1853435277 NIKJTVABHBYLMD-UHFFFAOYSA-N 439.626 2.074 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(C)n(C)n1 1857011767 NVBUILFJVJCIKW-INIZCTEOSA-N 428.514 2.187 30 10 IEEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)CC1 1857193594 JLOQERSMLPGBBC-OAHLLOKOSA-N 439.484 2.297 30 10 IEEE N#CC1CCN([C@H]2CCN(C(=O)C3CN(c4nc5c(F)cccc5s4)C3)C2=O)CC1 1857306502 URBYIYGNSVBBEU-INIZCTEOSA-N 427.505 2.235 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C(=O)C2)cc1 1857367775 LRMZBVYMDIIPSJ-UHFFFAOYSA-N 433.436 2.039 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706397 VONDVNOLZZCWOX-ZMZPIMSZSA-N 428.397 2.268 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1C(=O)O 1862758000 UUQZMBMSDXBGIL-SFHVURJKSA-N 439.424 2.433 30 10 IEEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(CCN2CCOCC2)C1=O 1863436434 HRVLQJCRHHLXSE-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 1870139545 WNBZEZXRWXMLTO-UHFFFAOYSA-N 432.444 2.051 30 10 IEEE O=C1C[C@H](c2nnc(SCCO)n2/N=C/c2cccc(O)c2)CN1Cc1ccccc1 1874208791 OJWFQEHRPUBGRJ-XNQWGTPPSA-N 437.525 2.466 30 10 IEEE COc1cc(N2C[C@@H](CNC(=O)c3ccc(C#N)cc3F)OC2=O)cc(OC)c1OC 1890871773 MKQRZKJQOGQOQZ-CQSZACIVSA-N 429.404 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)N2CC[C@@H](C#N)C2)C1 1982870305 JPMULNLXBPVYMP-KRWDZBQOSA-N 436.534 2.130 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1993279943 JCXLMJVHXVLPAO-OAQYLSRUSA-N 427.542 2.193 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060639087 DUFCKIFCQCJUGU-TWMKSMIVSA-N 435.374 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068913206 WNJPHNFNBVSXHL-DOTOQJQBSA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ccc(C#N)c(Br)c1F 2225630267 UQGNEFBXSUNHOQ-TYNCELHUSA-N 430.274 2.213 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390056 OJPQKNDWJYICJW-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247862674 FPSVLPWEVQEYNE-KGLIPLIRSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255602249 OZSLCGYAYZGFAI-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255653181 FSERCFIURUJKID-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256027465 WLAAADLPIXLJEZ-QZTJIDSGSA-N 433.358 2.350 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267128433 QUSVHMYTPNYOOQ-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267505448 IUZVGOGNCIUZKW-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267514125 UVEJVXKVUYDARL-HUUCEWRRSA-N 448.373 2.155 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267515349 MXMIRGMSPQVPJH-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2267522951 YMISCZSCOWLTMO-CQSZACIVSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CCO1 2267802892 CEMDUEFTYQZAQG-HNNXBMFYSA-N 448.325 2.362 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267877864 YGRPSTJMJRJFDO-IEBWSBKVSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268648034 VBYOZVWLLJIBDI-OYHNWAKOSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268651969 CTUWUOSQOYAVGK-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268708896 IBWJGKOCGUMMOK-SFHVURJKSA-N 448.369 2.220 30 10 IEEE Cn1cc([C@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)c(I)n1 2296291662 QYYWVXQKBHXGBM-STQMWFEESA-N 446.086 2.200 30 10 IEEE C=CCn1c(=C2SC(=S)N(CC)C2=O)sc(=C2Sc3ccccc3N2C)c1=O 2297707914 ZCDWLZBPKPFNTQ-UHFFFAOYSA-N 447.632 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2327380750 VQKCVRUYBUTCSE-AWEZNQCLSA-N 434.346 2.227 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccn1 2330730084 MSDWVGTZHGTBGC-UHFFFAOYSA-N 437.529 2.485 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2336375165 HLRNVWCQLTZXGM-OAHLLOKOSA-N 448.373 2.426 30 10 IEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)c1c(Br)c(Br)nn1C 2365210485 IOHCJQMAOVYCOW-MRVPVSSYSA-N 427.162 2.032 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 109891093 JXDASOYXRYSPAP-GOSISDBHSA-N 433.493 2.268 30 10 IEEE COc1ccccc1CN1CC(=O)C(c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)=C1N 170178770 VGNGDOZRDRPJNO-UHFFFAOYSA-N 432.528 2.036 30 10 IEEE C#CCN(C)C(=O)C[C@H]1CCNC[C@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1 215078313 MPZBBRZIMARMCY-FGZHOGPDSA-N 449.599 2.247 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 435170469 GSWRSUSQTLFSQI-UHFFFAOYSA-N 445.444 2.237 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](c2ccccc2)c2nc[nH]n2)CC1 439459794 WIFWOZKUDWNTJY-IRLDBZIGSA-N 433.491 2.032 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 460933577 GGOXTFAGXWWRMC-HXUWFJFHSA-N 443.523 2.363 30 10 IEEE Cc1ccc2c(c1)CC[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)O2 474218267 YSLAXAQOOMKENE-FQEVSTJZSA-N 425.510 2.093 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(N4CCCCC4)C3)CC2)cc1 477914019 LWSSHWIDXOQPJV-UHFFFAOYSA-N 430.574 2.092 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3nc4cc(Br)cnc4[nH]3)cc2C1=O 479820775 VKHZORUGKDFKQO-UHFFFAOYSA-N 440.257 2.432 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@H](COc3ccccc3)C2)CC1 484554379 FDMRKAFFFURJIF-LEWJYISDSA-N 440.569 2.237 30 10 IEEE COCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1scnc1C 489448861 NBIYBMXETPWBMJ-QGZVFWFLSA-N 433.603 2.371 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 503133171 RUHHBOCFEZPCNQ-CYFREDJKSA-N 442.560 2.262 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 508919205 QAIXZAQNKNRCDT-HNNXBMFYSA-N 430.557 2.211 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C)c2=O)n1 517065593 NHFKBESIQNQAAJ-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCOC2)CC1 518936062 SWBXSHJVZZALRA-MRXNPFEDSA-N 443.577 2.405 30 10 IEEE CCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2cc(OC)cc(C)n2)c1=O 540696848 VNJZVUAWVBQOCG-UHFFFAOYSA-N 425.535 2.398 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)c(F)c3)CC2)n1 546884951 JFHLJGAIWKTSBG-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 549669502 JQTAIKAQZDLPTR-HKUYNNGSSA-N 449.552 2.320 30 10 IEEE Cc1nc(CN2CCN(CC#CCN3CCN(Cc4csc(C)n4)CC3)CC2)cs1 560154538 HREMIQFHSSCJIR-UHFFFAOYSA-N 444.674 2.155 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)/C=C/c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 585831186 QDENIOWDCBDRTK-GFZSCEGUSA-N 449.482 2.187 30 10 IEEE N#Cc1cccc(C(=O)NC2CCC(OC(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 586507651 XHTRAZPABKFHFT-UHFFFAOYSA-N 431.448 2.439 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)c1 604002364 QLFRKWGPYAPZNR-UHFFFAOYSA-N 440.528 2.205 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(COC)cc3)c2=O)cn1 607947694 WHYIAWNXHCBFHZ-UHFFFAOYSA-N 448.548 2.134 30 10 IEEE CCn1cc([C@@H]2CSCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 617880542 PNKVRPVTDHTCRV-SFHVURJKSA-N 433.559 2.025 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccn2)C1=O 730139785 SEUHFTZZCIMUNF-LJQANCHMSA-N 436.541 2.153 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(COC3CCOCC3)c2)c1 732178755 UXEQKGRNTPSZAU-UHFFFAOYSA-N 442.537 2.224 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccc(F)c(CN(C)C)c2)cn1 734296997 XHTZJLDKOQGDHF-GOSISDBHSA-N 446.552 2.372 30 10 IEEE COC(=O)[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 740177007 WQLOTTHDGDUDJB-SFHVURJKSA-N 436.873 2.290 30 10 IEEE CCn1cnc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c1 753065720 KKOLCLWIKFNPPQ-HEHNFIMWSA-N 439.563 2.297 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3C[C@H](O)c3cccs3)cc2C1=O 753700453 UAOOWTFHHCSEBW-QAPCUYQASA-N 426.494 2.495 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cccc(S(N)(=O)=O)c2C)cc1C 754328564 AVVJBUAPEJSMIO-UHFFFAOYSA-N 429.498 2.363 30 10 IEEE CC1(CCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)OCCO1 758867290 JITSICVKXMVZMT-QGZVFWFLSA-N 428.514 2.312 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCC(F)(F)C2)cn1 763235727 XYSONWLOIIUHSH-GJZGRUSLSA-N 442.536 2.090 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1 777896706 CUXCSRPVWXTPLB-QHCPKHFHSA-N 425.554 2.383 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1OC 783548125 ZWKQIFINFPJGQG-NEWSRXKRSA-N 434.558 2.186 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCCN(C)c2ccccc2)N(CC[C@H]2CCOC2)C1=O 784123022 ANMJHCMEZIZODB-JWHLIOORSA-N 432.590 2.376 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1 785700757 WULKQYCZEWBEGU-XOBRGWDASA-N 447.513 2.465 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 806861008 ZTEVMCRHZOMDCK-RTBURBONSA-N 444.532 2.069 30 10 IEEE C#CCN(c1nnc(CCc2ccco2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 812356558 QCWJYZHQCQCDCT-MRXNPFEDSA-N 430.555 2.393 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)cn2)cc1 1152385282 NDBIWUPZTZOSOO-IRLDBZIGSA-N 447.470 2.085 30 10 IEEE C[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 1157534716 XYFPLKODFWBXQT-RDTXWAMCSA-N 447.557 2.474 30 10 IEEE COC(=O)c1cc(F)cc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1F 1185457669 DFRSAXKPBXCBTG-UHFFFAOYSA-N 437.468 2.376 30 10 IEEE CC[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccccc1OCC(=O)N(C)C 1192772796 YSACOZQCQRBVER-NRFANRHFSA-N 433.508 2.494 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1C 1197809009 PGPNMTMULYDACM-OAQYLSRUSA-N 443.573 2.145 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1286288510 HJDKGFZZHJKJEA-MSOLQXFVSA-N 448.575 2.078 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286443006 UVXHPUYZTBTRRR-UHFFFAOYSA-N 431.544 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(N(C)C)c1 1286462181 GBCIWXBTNBOVQP-UHFFFAOYSA-N 436.516 2.206 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1286481946 KXEDISPXJJVCHN-UHFFFAOYSA-N 449.559 2.371 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1286491225 JGBBTBGMUDMPSY-HXUWFJFHSA-N 426.540 2.248 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286541341 HXBUHCUBCRNCEW-IAGOWNOFSA-N 440.386 2.382 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1286633303 GRXPKXHNPZXQPH-NVXWUHKLSA-N 425.961 2.244 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccco2)CC1 1286651810 MKRMHLSHSMWYJU-UHFFFAOYSA-N 435.488 2.351 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(CCC)C(=O)C1 1286783798 MBUKLJXMAGDMED-UHFFFAOYSA-N 447.543 2.244 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 1286793752 LIYXHANGDVVVFX-HNNXBMFYSA-N 436.582 2.206 30 10 IEEE CC[C@]1(C)CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1292366488 XUVFQOFPEAXJNZ-GKEISQTQSA-N 444.536 2.051 30 10 IEEE C=CC1(CC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1292770941 VNUCWSMCKOGAFG-UHFFFAOYSA-N 444.576 2.407 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 1294007488 FURJIDHZNMSWRV-HOTGVXAUSA-N 438.550 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCC[C@@H]3CS(C)(=O)=O)C2)C1 1298178548 OJOOBFGBLKMLEO-CXIVCQEWSA-N 439.578 2.199 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300496094 NZSMBIYANRCQMM-WOJBJXKFSA-N 442.585 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(O)c1 1300513153 SLUFCZJRTAODDX-UHFFFAOYSA-N 448.552 2.373 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(C)cc1 1300538833 VNKCHLUHKTYQML-LJQANCHMSA-N 426.542 2.031 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN(C)C 1300560546 CVJQFAYZWFZAKS-UHFFFAOYSA-N 441.601 2.399 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC=C 1300641865 LPFJVSMSLRGICH-UHFFFAOYSA-N 447.474 2.007 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccs2)CC1 1300706121 IWMGKANGPMTGLT-UHFFFAOYSA-N 426.590 2.195 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(N(C)C)nc2)CC1 1300706528 PBVJRGJMKZGLPR-UHFFFAOYSA-N 445.571 2.164 30 10 IEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C/C=C/CC)CC1 1300707063 VIDDJPKAIRELOU-WEVVVXLNSA-N 447.631 2.364 30 10 IEEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300972838 QTHIUXTWMSIJDY-VAMGGRTRSA-N 430.597 2.332 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1301084178 SRLUARUOWWZCBT-SFHVURJKSA-N 444.511 2.018 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccs1 1301509125 ALDYSAYZASTLGF-UHFFFAOYSA-N 430.559 2.270 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1301531352 JYYXKMMBBZTVBV-LJQANCHMSA-N 449.577 2.070 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301606053 IEPRSGXCINKHOL-UHFFFAOYSA-N 425.518 2.210 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1302011762 KPBVQVKFAYTQBB-MRXNPFEDSA-N 441.598 2.345 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1303492292 CZZGXTWEBUCBJO-FGZHOGPDSA-N 433.553 2.254 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1303633361 FPLXONPPQXMFRP-OAHLLOKOSA-N 427.534 2.063 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2nccc(C(F)(F)F)n2)n1 1304487914 YLURKPAQLZOYPP-CQSZACIVSA-N 444.421 2.429 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)c1 1309585721 VSOFBHNTZUOSHP-SFTDATJTSA-N 428.510 2.123 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(SC)CCC1 1316207299 VWDHDMATUTULMO-SJLPKXTDSA-N 434.610 2.464 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1319585358 DCWVPQFIQHHHPJ-CFCCAZDESA-N 444.532 2.204 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1358877181 YLJUEMYISRNYRQ-CQSZACIVSA-N 439.488 2.040 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1358921481 YSFMKRNGRFGQJS-KRWDZBQOSA-N 449.552 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1c1cnn(C)c1 1358972108 UCEQKUBKZUFNGU-HXUWFJFHSA-N 444.499 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn2ccc(C)cc2n1 1359018585 VXEDXXDJPPUPJS-UHFFFAOYSA-N 444.499 2.016 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359037239 AWQBKFKAXAMTCS-IBGZPJMESA-N 428.581 2.385 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)COC)CC2)cc1 1359308673 VNOVWVYHZKGMSU-UHFFFAOYSA-N 427.549 2.385 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCNS(=O)(=O)CC)C1 1359317447 JDYDTBGDTRIZGE-OAHLLOKOSA-N 439.969 2.319 30 10 IEEE C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 1448715317 BBRSHNJWVZJUMB-UKBAYJJMSA-N 433.574 2.436 30 10 IEEE C[C@@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)CC1(Br)Br 1450481222 YJZIRBIDWPFHRM-AWEZNQCLSA-N 428.128 2.498 30 10 IEEE CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1467829728 WPKHXXQFCWRVPQ-AWEZNQCLSA-N 425.482 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C#N)C3)[nH]n2)CC1 1470407920 ZGDMBOOXBOHBLV-BRWVUGGUSA-N 428.537 2.332 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1478284985 SEMJJIZTYVCYCB-CQSZACIVSA-N 448.385 2.355 30 10 IEEE C#CCC1(NC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCOCC1 1478642761 VEBZLXXVBBIKEB-UHFFFAOYSA-N 440.588 2.230 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC(F)(F)F 1503069371 VHVLYMCQMXBCQU-UHFFFAOYSA-N 426.399 2.276 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1503357199 RQESJXURIZKQMM-GCJKJVERSA-N 426.496 2.364 30 10 IEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C)C2)CCOC1 1504053614 DXIMCHHVQYMKIG-HYFFOGBASA-N 427.505 2.148 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOCC(F)F)CCN1C1CC1 1505322989 CQZROCQZRKISDW-SFHVURJKSA-N 431.491 2.112 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1507628127 GJEOUZGXBICFGG-MRXNPFEDSA-N 448.570 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCOCC1 1507642735 AUEYIKDXJNWAMT-UHFFFAOYSA-N 429.318 2.322 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1507661366 SYDSHFIWSOAVDZ-XUZZJYLKSA-N 441.576 2.040 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1507787782 HKCKSRYBCRHICS-OAHLLOKOSA-N 446.309 2.442 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1507803512 HCOMWICKPUCKTN-GCJKJVERSA-N 425.533 2.137 30 10 IEEE C=C(Cl)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507874242 IAEJOCGXPKWGKB-NRFANRHFSA-N 439.988 2.231 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCOCC1 1508702762 ORTLGFGNUBNLAI-XUVXKRRUSA-N 446.596 2.038 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1509950860 FKQXWXLVJUMKSF-QGZVFWFLSA-N 432.532 2.192 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)o1 1521095807 QERNNMAMICOBMF-HIFRSBDPSA-N 438.410 2.290 30 10 IEEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)NCCc1ccccc1 1532916367 ACNVUQFXGFLSSD-YJBOKZPZSA-N 438.915 2.428 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1539196292 IOBHPPVFZNUZPZ-RTBURBONSA-N 445.589 2.223 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1539211268 KJPOEKFZNHDXHP-HOCLYGCPSA-N 448.570 2.052 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539212299 UIQYPVDPNDOLJZ-SFHVURJKSA-N 445.564 2.197 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539621955 DDFSARXZVCCSPN-PXCRPINLSA-N 426.517 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1539633278 XWVBLFXZIQIGPE-MKXGPGLRSA-N 438.594 2.024 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)=O)CC1 1539641946 GZVMXFJDVOTRMX-RBBKRZOGSA-N 441.580 2.180 30 10 IEEE C#CCN(CC(=O)N1CCN(Cc2c(C)nc3cc(C)ccn23)CC1)C(=O)OC(C)(C)C 1540483454 NSFTWYVNKBSINX-UHFFFAOYSA-N 439.560 2.466 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1540502578 CHNPSAXHFLMGRB-IBGZPJMESA-N 444.532 2.049 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)cc1 1554873546 VKQGHEJVBUWYMZ-PXNSSMCTSA-N 427.505 2.126 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@@H]2CCOC2)CCO1 1555992377 PHLMAPWOROZVPT-LPHOPBHVSA-N 442.476 2.025 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)c1OC 1584308198 HTSXKIJJWIKMBF-SFHVURJKSA-N 431.452 2.226 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)n[nH]2)c1C 1584436991 ALPYHSQUIMWZGF-QHCPKHFHSA-N 447.499 2.061 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1587766100 OFFPALMPQUNQON-QGZVFWFLSA-N 432.546 2.334 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588041271 WACIBBOEAILRAO-UGKGYDQZSA-N 439.541 2.013 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1588049359 FIEDCQQGMLYWDT-SFHVURJKSA-N 430.578 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCCO[C@H](C)C1 1588112833 BTALVMMDTLTFOZ-LJQANCHMSA-N 435.528 2.248 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1CCN(c2ccncc2)CC1 1588629140 YXXSCPPIYDSGRZ-UHFFFAOYSA-N 434.548 2.076 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1589048148 VTRCRMHCLDCTSE-UHFFFAOYSA-N 438.561 2.073 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589421553 QOPRTUHXQZTRBF-GOSISDBHSA-N 439.358 2.200 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](COC)OC)CC1 1594229557 OXIZXVMTPRZTHE-KRWDZBQOSA-N 448.593 2.302 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594693017 NHBBSZPMXVLBOQ-HNNXBMFYSA-N 434.522 2.290 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1594733656 WXXCPVWLTMOKCR-ZACQAIPSSA-N 435.525 2.114 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1594807052 CHIXTTKLOHBNSC-LJQANCHMSA-N 427.553 2.422 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594813095 ODAVVDWFADQSJX-IEBWSBKVSA-N 445.568 2.339 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1594820144 VNENPCKLCOGTBD-HSZRJFAPSA-N 425.533 2.187 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](N1CCOCC1)C(F)(F)F 1594839544 NJKYEFWMCKXPTD-HNNXBMFYSA-N 432.491 2.082 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cc(CO)nn1 1595010423 ZOXBAOOQIBBNDC-KRWDZBQOSA-N 446.556 2.146 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1595133612 JCACKFARAIOXGG-SCTDSRPQSA-N 429.496 2.101 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1595133613 JCACKFARAIOXGG-YQVWRLOYSA-N 429.496 2.101 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccccc1OC 1595466049 DBIYNGNVVJOVOR-SFHVURJKSA-N 438.532 2.166 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1597177735 UTGLSLNWPQGOKD-UHFFFAOYSA-N 428.439 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 1612631156 SCPSIUNXRRAOLB-UHFFFAOYSA-N 444.492 2.261 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1SCC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 1613398391 FQRVADILDFTSOI-OAHLLOKOSA-N 448.593 2.103 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1)C(=O)OC(C)(C)C 1617281453 KNLKRZVZEZZVOC-LJQANCHMSA-N 443.544 2.303 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)c3cn(CCNC(=O)OC(C)(C)C)nn3)c(C#N)cc2C1 1617371207 PQPFYVPPPAHQAN-CYBMUJFWSA-N 425.493 2.447 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3ccccc3)C3(CO)CCCC3)CC2)o1 1618373745 HMQYELKDFYILIH-QFIPXVFZSA-N 437.544 2.387 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)c(C#N)cn1CCOC 1623540378 BIEPOAZJCHVHKZ-MAUKXSAKSA-N 428.489 2.296 30 10 IEEE C=CCC[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1624303944 OCVSRVPKILQONN-HOTGVXAUSA-N 435.525 2.478 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCOCC1 1624729658 YYWRJLJPGKENCF-KRWDZBQOSA-N 443.548 2.312 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1624793947 RNZYCYNOASBUCR-WAIKUNEKSA-N 444.507 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)Nc2cccc(CC#N)n2)(C(=O)OC(C)(C)C)C1 1625015394 NYESTPGEQYCGFY-JOCHJYFZSA-N 446.504 2.434 30 10 IEEE N#Cc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c(I)c1 1626250009 RYMPIICREWCGIY-UHFFFAOYSA-N 430.209 2.320 30 10 IEEE C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1636893452 CZJUWFUXFQRZTN-NSHDSACASA-N 434.299 2.332 30 10 IEEE CCOC(=O)CON=C(C(=O)NC/C=C/c1ccc(Br)cc1)c1cc[nH]n1 1641339767 ZSXIAZYSMCXJAI-ILTTZTGRSA-N 435.278 2.286 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c(CO)c2)cc1 1644092621 FNMHPLBJSMCPDR-UHFFFAOYSA-N 438.303 2.386 30 10 IEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cc21 1657081986 UPJXSLPEIYBKJM-GOSISDBHSA-N 425.514 2.127 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)CC1 1666232958 KMYSACYKYPVOKK-UHFFFAOYSA-N 443.363 2.310 30 10 IEEE C#C[C@H](NC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1681725280 YLJIPLZWRKMISP-FHWLQOOXSA-N 447.580 2.221 30 10 IEEE O=C(NCC#CCO)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1683601712 AHIGLMQFUJHXFJ-NTEUORMPSA-N 428.297 2.325 30 10 IEEE C=CCOc1ccccc1CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1684552744 PMROXVTYNQXSOI-QGZVFWFLSA-N 444.532 2.271 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1(N2CCOCC2)CCCCC1 1689827162 AUSWFIUKGCWLQP-WOJBJXKFSA-N 433.597 2.495 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCC1 1689847415 ZGNZJOFBZHNEGL-MRXNPFEDSA-N 429.594 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CC(=O)N(CCOC)C1 1689861417 VDLVJMKFCYJIFR-OALUTQOASA-N 434.544 2.234 30 10 IEEE C#CCCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941118 KHYCQJWGSHSHBS-HSZRJFAPSA-N 439.564 2.157 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CNC(=O)OC(C)(C)C 1689960851 AQLQUMZCOWGRFK-CQSZACIVSA-N 430.509 2.236 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(N2CCOCC2)CC1 1689974874 BBNFQCSHHSIWST-UHFFFAOYSA-N 425.533 2.190 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689982244 JYZKKWXLEFYONU-MAUKXSAKSA-N 435.981 2.175 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1690366259 VBVWMSFVOKGBDF-JOCHJYFZSA-N 430.553 2.439 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1690517865 SAUBFNMPNIHSOT-CYBMUJFWSA-N 443.371 2.082 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N(C)OC 1690729586 RNBOUYSRPPSGLR-UHFFFAOYSA-N 445.339 2.218 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)C1 1690906441 BYAVOACAEUKCCZ-SFHVURJKSA-N 436.545 2.324 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1695534511 DTTQGHPROKYUAY-LJQANCHMSA-N 442.589 2.314 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705562885 LZGHOMLOFVGMPA-AWEZNQCLSA-N 428.436 2.143 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566496 NTLYJSBFCLVZHB-DENIHFKCSA-N 446.548 2.219 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705656037 PEOSGZNFWNDZRP-OAHLLOKOSA-N 439.994 2.373 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCO[C@@H]1CCOC1 1705677191 FPHIPEVWVGPDCB-VGOFRKELSA-N 443.573 2.457 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705817651 PCCOKSXXJNUHJV-SFHVURJKSA-N 443.552 2.195 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccn(Cc3ccccc3)n2)C1 1705914329 LQTAAUIUZIHUSH-NRFANRHFSA-N 449.559 2.491 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705946064 YATGSGBPYXMZSK-WBVHZDCISA-N 433.582 2.276 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1706079294 HZAJHJMUTFMTFL-LBPRGKRZSA-N 428.390 2.271 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1csc(CC)n1 1710698357 WWMJSUBEXSSHHF-UHFFFAOYSA-N 425.518 2.417 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1712882271 CZNLUFNAGOJBQX-UHFFFAOYSA-N 438.923 2.415 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722336668 ODOAQYGCJCFGFP-RCCFBDPRSA-N 442.564 2.382 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722362034 LXEBLXIUSGYONL-AQNXPRMDSA-N 442.585 2.431 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722367505 NMEZTDUKMAXUNF-RTBURBONSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1(S(C)(=O)=O)CCC1 1722386277 ZUPFBRFPTFFZOT-UHFFFAOYSA-N 435.553 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(F)c(F)c1 1722386920 BDRIJGGLFIDCLX-UHFFFAOYSA-N 427.455 2.334 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)cc2)CC1 1722440100 BSXOIGDBYDQNEW-UHFFFAOYSA-N 433.560 2.146 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1722473521 VKBYMYYRFFQCQI-HSZRJFAPSA-N 443.498 2.388 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCO[C@H]2C2CC2)CC1 1722574321 KHZQXPPYCYUTNB-UQASEVPWSA-N 437.610 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(CC)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722731968 SJAHAFLULSMHFJ-IYBDPMFKSA-N 441.598 2.496 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN(C)Cc1ccc(F)cc1 1722861158 DNLQQZOMBGVJNH-QGZVFWFLSA-N 427.528 2.381 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCCO1 1727652912 JKQYFMCSFSTIJB-PMACEKPBSA-N 438.532 2.117 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC4(CC3)COC(=O)N4)n2CCOCC(F)F)c1 1731178594 CAMWEGBRNUYLAN-UHFFFAOYSA-N 432.431 2.177 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCCCCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1731180198 CBSYKASRFWBFSL-OAQYLSRUSA-N 429.546 2.137 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CC[C@@H](C(F)F)N1CCOCC1 1740611474 GPKPJOSIOKMLHD-SFHVURJKSA-N 433.503 2.303 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740709987 OOOPWTZNZSRWGO-HOIFWPIMSA-N 449.621 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740749865 GNCPRSPRYHQTFY-QRQLOZEOSA-N 427.553 2.473 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1C 1740938023 VOPUZTJMSVICDD-AOIWGVFYSA-N 449.577 2.095 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740943125 NSQQAYIGKICXML-UHFFFAOYSA-N 429.546 2.143 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1741003077 OONLWPTXIMMHNP-GOSISDBHSA-N 443.573 2.369 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1741648890 GUVPERWUOQNSFR-IRXDYDNUSA-N 431.585 2.044 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1Cc2ccccc2O1 1741930116 DGHFIIDTPKESHK-WJPUGNRLSA-N 444.561 2.022 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1748670623 BAHUMXXAJGQKSL-JYJNAYRXSA-N 444.557 2.018 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818245 XZBQNJOYFWFMIR-ICSRJNTNSA-N 430.574 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1748855539 BSIKDFRDWGXOFW-XUZZJYLKSA-N 431.496 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1748855559 CINRIFAJYMLWOI-FQEVSTJZSA-N 440.569 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCCNC(=O)OC(C)(C)C 1748875159 LHVQLEYJNYPTQO-UHFFFAOYSA-N 442.564 2.282 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748882822 HMSMRFCHKAZWPC-UHFFFAOYSA-N 445.527 2.058 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OC(C)(C)O2 1748948581 RZJDRLRCWUFKQZ-UHFFFAOYSA-N 427.505 2.058 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749366569 HDVZCJYTXVDVOS-JKSUJKDBSA-N 446.639 2.042 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749458227 ZYMJMUAOIMJIDL-MOPGFXCFSA-N 427.553 2.477 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)C1 1749697598 LKXXBWCMBGPROV-NZQKXSOJSA-N 428.533 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749738732 WBCAEWRYQSKTRG-QZTJIDSGSA-N 434.562 2.114 30 10 IEEE N#Cc1ccc(-c2nnc(N(C[C@@H]3CCOC3)C3CC3)n2CC(=O)NCC(F)F)cc1 1750381680 ALJJREIPLZMRIF-HNNXBMFYSA-N 430.459 2.203 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1750914011 ZMRSGZVUVTYWIB-IBGZPJMESA-N 432.532 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1760097597 HQJKVTBDSDYXCU-ROUUACIJSA-N 445.589 2.095 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760121851 YIEWHGLYUNPKLF-SJORKVTESA-N 432.569 2.361 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760129608 SRCCTGJQNHLYGL-MRXNPFEDSA-N 429.525 2.304 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H]1OC 1760227122 VSMIZVIGNNZNEX-AZUAARDMSA-N 445.589 2.470 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760350012 NIZPMRUGKXNPOY-UZLBHIALSA-N 443.621 2.199 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)C1 1760541609 FHNMTVPECMGGAS-DLBZAZTESA-N 426.583 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](OC)C1 1760551898 VWSMKPGSVFKMDF-OAHLLOKOSA-N 440.953 2.433 30 10 IEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1761262772 ARWKQCALKQXTRY-UHFFFAOYSA-N 433.516 2.105 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1764409961 BWPQFCNXWKEMED-OAQYLSRUSA-N 437.592 2.317 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1764998691 WULDIQNDBSKOGC-DVECYGJZSA-N 435.576 2.463 30 10 IEEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1766550111 AMCPHMDDKGRRRJ-IBGZPJMESA-N 425.581 2.315 30 10 IEEE CCn1cccc(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1766970839 IWNSKNIJUXSEFM-QHCPKHFHSA-N 440.548 2.289 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H](C)CC#N)c1 1767641973 NOLLKTUULMWUSJ-UXPWSPDFSA-N 440.548 2.343 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1769067319 ABHZMICGYKQTCI-FQEVSTJZSA-N 438.532 2.403 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1769386979 FYUUKYWQRGZYBS-UWJYYQICSA-N 427.530 2.074 30 10 IEEE CSCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1770572506 YPYRSGVXJLQRSX-KRWDZBQOSA-N 444.609 2.165 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1772555243 KHTQFLOYQNPWEU-NRFANRHFSA-N 438.594 2.157 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)OCCCN2CC3(COC3)C2)[C@@H]1c1ccc(C#N)cc1 1848993824 NVZOQYTVYUTXHD-SFTDATJTSA-N 443.569 2.217 30 10 IEEE CCCn1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cc2c(=O)n3ccccc3nc21 1849645610 WAQWUHIXHRZCPM-UHFFFAOYSA-N 441.495 2.288 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cn3nnc4ccccc4c3=O)ccc21 1850338986 ZMDRXGFIDWWJDV-UHFFFAOYSA-N 433.468 2.368 30 10 IEEE N#Cc1cc(I)c(NC(=O)CN2CCOCC2)cc1C(F)(F)F 1851563140 RZTCJNPXCQZMMN-UHFFFAOYSA-N 439.175 2.452 30 10 IEEE C=CCN1C[C@@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccccc3OC)cnn2C)CC1=O 1852378995 KSPJUCCEBSQZFQ-KRWDZBQOSA-N 449.515 2.017 30 10 IEEE C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)C1 1853831353 UPPQNOVPPUFCSO-HZPDHXFCSA-N 430.936 2.337 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCN(Cc3csc(C4CCCC4)n3)[C@@H](C)C2=O)CC1=O 1855153198 UMTHNALYNWYYCX-DOTOQJQBSA-N 430.574 2.395 30 10 IEEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CN(C)c3nc4ccccc4s3)C(=O)C2)C1 1856831447 AGNRQENSHZMLHX-QGZVFWFLSA-N 427.574 2.054 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(=O)O)cc2)cc1F 1862640823 SBNPQCQYKWKWET-ZMZPIMSZSA-N 429.400 2.492 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870983271 PSNMEANCTJTFEC-LJQANCHMSA-N 442.472 2.229 30 10 IEEE CC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1C 1872797552 NXCNVMDABYPFMZ-QGZVFWFLSA-N 440.525 2.377 30 10 IEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874317574 ZVJNPMVDVFYKIQ-YDZHTSKRSA-N 439.497 2.448 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874436411 ZQVYNLAVTGVZSX-BRJLIKDPSA-N 440.504 2.344 30 10 IEEE C[C@H](C#N)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390517 GHHIJGRNNFISFY-BFUOFWGJSA-N 428.466 2.305 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1891693134 MCHLGKVRGXUMCG-NVXWUHKLSA-N 430.448 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)[C@H](C#N)C1 2044268055 NJYGADPCFRLESE-CEXWTWQISA-N 442.516 2.076 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)nc2)OC1(C)C 2129065326 WIJDOYVXRJRJIU-SFTDATJTSA-N 436.365 2.256 30 10 IEEE C=CCn1ncc(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)c(Br)c1=O 2162295919 JFSXCNHEHXTWGX-NSHDSACASA-N 445.314 2.060 30 10 IEEE Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)ccc1C#N 2174787998 ZTCLCAPSGDCSTM-WOJBJXKFSA-N 429.498 2.229 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243413007 XSMJRLCMXSCBHT-LBPRGKRZSA-N 446.400 2.239 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCO1 2254801305 RCKPSITZIMDQFW-DOTOQJQBSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCC1 2255595614 JTPSXFJMLGVJPC-UHFFFAOYSA-N 434.346 2.182 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255641049 WKLUFEKDSOUENO-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255694719 SFCMJNOEDODXPN-MRXNPFEDSA-N 433.358 2.406 30 10 IEEE CC1(C)OB(c2cc(N3CC(CNC(=O)C(F)(F)F)C3)ccc2[N+](=O)[O-])OC1(C)C 2255998772 DSOORSPMNQBVSM-UHFFFAOYSA-N 429.204 2.009 30 10 IEEE C=C(CNC(=O)CCOCCOCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256282036 LYKTWDLLDMUARC-UHFFFAOYSA-N 442.362 2.238 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]1C2 2266990457 RXTXZARGCSDGFT-GTQRCTGISA-N 448.325 2.133 30 10 IEEE Cc1c(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267000858 CYFSVJKACDUTHC-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267138918 YXTLRPGFZYHXCV-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CN(C[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1)C(=O)OC(C)(C)C 2267143314 GPLZXWPMWUUQTM-OAHLLOKOSA-N 448.373 2.428 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267263439 FYEOQDWPHSYOLS-IRXDYDNUSA-N 443.353 2.318 30 10 IEEE Cn1cc(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267492800 DHPOXLQBBTYGBG-DEOSSOPVSA-N 438.381 2.361 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267512202 LRUSLKGDSRIEAO-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267586930 QQATZRMRQICRAT-JSGCOSHPSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2268649707 FMTIYJTVPFTQCM-HOTGVXAUSA-N 447.341 2.392 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2268655845 QHOPJHTWLNUJKN-GOEBONIOSA-N 447.341 2.344 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C1(NC(=O)OC(C)(C)C)COC1 2268713626 ZLQREATZPPZQIV-UHFFFAOYSA-N 448.325 2.227 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268794664 AGXRCDIVBIOZLC-LZWOXQAQSA-N 444.341 2.278 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CCC4(CC3)OCCO4)s2)OC1(C)C 2282854465 RUHLNUWSSWPULK-UHFFFAOYSA-N 443.396 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2300299624 PFACAYHZSBSMSV-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(C)(C)O)n1C 2315698909 NKQGTKFCBPNBRN-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)C1 2319981858 XHTATQGRKZBCKP-VQTJNVASSA-N 440.544 2.249 30 10 IEEE COCC[C@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)NC(=O)OC(C)(C)C 2322310341 DNSORYYLNFDUDV-CQSZACIVSA-N 439.337 2.284 30 10 IEEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2341888811 MSIBJPJEQGGWFY-OAHLLOKOSA-N 441.337 2.397 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1nc(Br)nn1CCOC 2382083631 HZCRKCXVUIIWLR-SJORKVTESA-N 439.354 2.472 30 10 IEEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 118927415 POPFMWWJOGLOIF-ABHKPEJCSA-N 436.520 2.499 30 10 IEEE COc1ccc(CN2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178742 FZQTWBZROMCWNI-UHFFFAOYSA-N 432.528 2.036 30 10 IEEE Cc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(O)nc(=O)n3C)c1 254869901 MSNZSDAFJJKXSV-KRWDZBQOSA-N 448.483 2.030 30 10 IEEE N#CCCC[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 433023686 SKVOKGDIAMDXRH-HBMCJLEFSA-N 433.574 2.206 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436257415 FBFKPFUGYFWEGC-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(CCN4C(=O)NC5(CCCCC5)C4=O)no3)cc2C1=O 460536008 MCACDSMFWFMQKL-UHFFFAOYSA-N 449.467 2.316 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCCN(S(C)(=O)=O)CC1 460783846 FUTJOZOARZMRSM-UHFFFAOYSA-N 444.605 2.279 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461373668 KCJABCPNBDWKLH-UHFFFAOYSA-N 445.500 2.205 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 480231103 WEVQXYJICZEVRT-ZDUSSCGKSA-N 426.473 2.430 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487514799 CGSAYNRFCAHJJZ-NRFANRHFSA-N 449.511 2.165 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(OCC(=O)NC2CC2)cc1 502509986 IILYQACDCJGMDW-QGZVFWFLSA-N 448.527 2.203 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)c1 503390428 LNJHXALONKYFRL-VGOFRKELSA-N 431.489 2.187 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2nccc(OC)n2)CC1 508677146 BNLKHFAUOQPRRK-GOSISDBHSA-N 435.488 2.102 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 508718326 SWRWJZYDDNFONU-KRWDZBQOSA-N 430.578 2.271 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C#N)c3ccc(F)cc3)CC2)cc1 514981357 RVFZZNDRXICFFB-HXUWFJFHSA-N 426.473 2.479 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCN(c2ccccc2)C1=O 538268582 KICCCCSTARMYNP-WOJBJXKFSA-N 437.569 2.194 30 10 IEEE COc1cc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1C#N 582212449 JLOFCIDDPBRLBY-UHFFFAOYSA-N 430.482 2.208 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 609116281 HPUAHNGPGUALDD-SFHVURJKSA-N 435.528 2.174 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 609865906 QBENRPMDPZWYSM-NRFANRHFSA-N 449.573 2.051 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@@H]1CCCO1 614902453 BELDHKFMNWMPOV-SFHVURJKSA-N 433.533 2.365 30 10 IEEE COc1cccc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 726107089 YKRCFNPKFPLVPN-IPVOUAOMSA-N 439.541 2.197 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCO2 728273952 MEZTUMRQCDLHAU-MRXNPFEDSA-N 427.482 2.208 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 731888893 KZBRNCDWJNEOIU-ICYUWLRBSA-N 436.512 2.103 30 10 IEEE C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732152785 ARPBDLPTDSNTHF-JEBJBBSMSA-N 426.517 2.196 30 10 IEEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(C(F)(F)F)c1 741341164 ICQCXCHRIIPIQB-RKQLKTQESA-N 425.363 2.492 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 747336022 LLGDCTPMOBSNCB-UHFFFAOYSA-N 430.505 2.151 30 10 IEEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)c1 751924758 DDZURRBYBRBKQO-HNNXBMFYSA-N 428.505 2.350 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1 757277091 JJTOFCQRQWUNSN-RUZDIDTESA-N 448.475 2.231 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)C1 760300522 IUEKDFMOMOXCOK-IRXDYDNUSA-N 447.536 2.230 30 10 IEEE CS(=O)(=O)c1ccc(-c2nc(CS(=O)(=O)C[C@H](O)c3ccc(C#N)cc3)co2)cc1 761221099 WRTXVABDACPUAY-IBGZPJMESA-N 446.506 2.265 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 763937857 MFYQTLRICUWIGJ-FKQBYMHLSA-N 447.561 2.022 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)Cn3ncc4ccccc4c3=O)ccc2c1=O 765249807 QXDHLLBZZWBDSX-CQSZACIVSA-N 447.520 2.400 30 10 IEEE Cc1cc([C@@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)ccc1F 765375907 LVSQVLXGMAEIST-SFHVURJKSA-N 431.489 2.163 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccn(C)n2)C1=O 765544188 MOJWOVUVISVUDW-GOSISDBHSA-N 428.562 2.010 30 10 IEEE COc1cc(C#N)ccc1COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 766903012 OHQHBICYHJTBFP-HSZRJFAPSA-N 437.452 2.394 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 767873901 VXWIFWXHBSTUBP-UHFFFAOYSA-N 445.548 2.329 30 10 IEEE C=CCN(C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 773850512 IJGTUWOCIXLOGY-OAHLLOKOSA-N 436.521 2.471 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](C)[C@@H]1CCCN(C(=O)OC)C1 775814245 XCYXIQGFNUAYCL-SJLPKXTDSA-N 433.553 2.408 30 10 IEEE C#CC[C@@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccccc1 780842419 CQIQWNWVQXMRFD-YADHBBJMSA-N 448.571 2.316 30 10 IEEE CCOC(=O)NCc1ccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 781442929 QJIDEUGZCPSDAV-UHFFFAOYSA-N 427.482 2.341 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(CNC(=O)OCc2ccccc2)CC1 784799257 WSOPSHMZYGCMJC-UHFFFAOYSA-N 428.514 2.348 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C1 789727723 HHPRKJJSNXPVRJ-UONOGXRCSA-N 431.493 2.320 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cccc3c2OCCCO3)n1 789966056 CQPREYJTUJYFFK-INIZCTEOSA-N 440.529 2.468 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 792746202 IKAFUWKUXGPMJO-MOPGFXCFSA-N 443.573 2.056 30 10 IEEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C[C@H](CC#N)c3ccccc3)ncnc1-2 793441068 KLEAXAQYCDXUEI-AWEZNQCLSA-N 442.321 2.115 30 10 IEEE C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)n1cnc(C#N)n1 798971654 XPTSSVYBYVJGMX-RHSMWYFYSA-N 427.509 2.159 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)n1 800762846 OQYFEVVUZLUFNN-JOCHJYFZSA-N 433.512 2.278 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2)CCN1C1CC1 802245578 RPITYWKZGMFSFR-LJQANCHMSA-N 428.500 2.150 30 10 IEEE C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 803699595 IWHSITCBBRRBQQ-QGZVFWFLSA-N 430.526 2.394 30 10 IEEE Cc1ccc(N(C(=O)COC(=O)c2cc(C#N)ccn2)[C@H]2C=CS(=O)(=O)C2)cc1C 803846128 VEYAECAJRCCALW-SFHVURJKSA-N 425.466 2.071 30 10 IEEE C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)c1 808070146 OMGTZHZZLCNBIQ-UHFFFAOYSA-N 427.526 2.255 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 912996800 GXRMJJKVZAHJGM-HSZRJFAPSA-N 431.540 2.440 30 10 IEEE COC(=O)/C=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(OC)c1 916881142 RFAPZDKNHMZCNU-VZUCSPMQSA-N 444.465 2.293 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)Cn2c(O)nc3ccccc32)n1 917075813 PBTAEVXDJGHTHU-UHFFFAOYSA-N 427.515 2.494 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(Cl)c3)n[nH]2)cn1 1084062822 JWIOGJUSQGVXQL-UHFFFAOYSA-N 434.913 2.478 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2ccccc2)n1N)c1ccc2c(c1)OCO2 1084151535 YBFICZVQZSUUDC-UHFFFAOYSA-N 425.474 2.288 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)cc1 1084375696 XAKSXYSKFGVNON-UHFFFAOYSA-N 426.502 2.416 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CCCS2(=O)=O)cc1 1125307745 RAMKIVOXFPQSOU-OXMAITBSSA-N 441.575 2.185 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 1137387133 XEUCBNLLEDBONW-UHFFFAOYSA-N 435.571 2.112 30 10 IEEE C#CC[C@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1149979814 WROISOUNOWUZGA-QGZVFWFLSA-N 430.482 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)C1 1153983899 ROWIKZSKPRNSOU-JXORXQGFSA-N 444.511 2.051 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)Cc3ccccn3)nnc12 1183837056 SIGSEQUSDGXUAJ-OAHLLOKOSA-N 434.525 2.465 30 10 IEEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 1226636789 LCDTWTKWTUSFNQ-STQMWFEESA-N 445.335 2.314 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)OC 1260565114 YKAFRBZYNZEAGZ-JTQLQIEISA-N 425.098 2.055 30 10 IEEE C[C@@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1(Br)Br 1264769046 DLUYYKYBJSZDJY-AWEZNQCLSA-N 428.128 2.498 30 10 IEEE N#Cc1ccc(C2(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCC2)cc1 1277437531 MNDGCCDREVOJEP-UHFFFAOYSA-N 425.510 2.388 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1286322754 GKYJUAYUBNFDFW-LJQANCHMSA-N 437.610 2.287 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286391026 BIKDKMUBTSHOIB-GOSISDBHSA-N 430.578 2.001 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286393897 LMPFINDSRPNTPG-QGZVFWFLSA-N 445.545 2.140 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286394304 OIESDQKLYKHPEO-WVDZOPJMSA-N 442.651 2.041 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(CC)C(=O)OC(C)(C)C 1286415020 IAQCKAWCTCOPOG-OALUTQOASA-N 445.564 2.332 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1286447052 IMOFOQSDRBWDHS-GOSISDBHSA-N 446.573 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCC[C@H](C)C1 1286462184 GBPCNUMGBSLTHQ-ROUUACIJSA-N 442.564 2.212 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cccnc2OC)CC1 1286484356 JIOFJEUQEXPFQM-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286493659 WSCQSTNYYZSZSL-NTKDMRAZSA-N 444.624 2.291 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1286499015 CSEWHCGCLVYZOM-INIZCTEOSA-N 443.573 2.291 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286506440 ISSPCSFKFYLETA-AQNXPRMDSA-N 433.622 2.433 30 10 IEEE C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286585182 WTIRQHNKGFJZRV-PMPSAXMXSA-N 439.582 2.104 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1286716745 LHZUUFZIVKBJMT-UHFFFAOYSA-N 428.356 2.221 30 10 IEEE C=CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C)C1CC1 1286736704 GTBCBOWYEXMDIG-UHFFFAOYSA-N 435.532 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 1286783322 OLCOOJDDVGOXFI-GFCCVEGCSA-N 437.331 2.256 30 10 IEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)cc1 1286797251 SSGYXILMTUQGKY-UHFFFAOYSA-N 439.541 2.112 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cnccn2)n1CCC(C)(F)F 1291194595 AIHLACUIEAJIFG-CQSZACIVSA-N 440.462 2.157 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](OC)c1ccccc1 1292133272 HOQZBMCRJFANQE-RTBURBONSA-N 426.521 2.313 30 10 IEEE N#Cc1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1Br 1292399696 VMSBVPXNRCOXDI-UHFFFAOYSA-N 427.302 2.399 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1293594193 IHQUGKQEYUXPTM-QZTJIDSGSA-N 428.537 2.232 30 10 IEEE CCOCc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1297261064 GRWAHLOMDKFZCT-UHFFFAOYSA-N 434.500 2.219 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 1300017985 AKYBAOOZIJQPMW-GBXCKJPGSA-N 431.496 2.063 30 10 IEEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1300394417 RBFUOHCHNGVCFQ-AWEZNQCLSA-N 447.312 2.474 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1300419707 REIAZJODUZBTIZ-IBGZPJMESA-N 436.560 2.470 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1300682785 RDERYLDKBLVENM-UHFFFAOYSA-N 429.590 2.162 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1301425109 CXDURHZCUBZALL-GOSISDBHSA-N 437.548 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSCC1 1301577634 RINIFEBVWDHZSA-UHFFFAOYSA-N 438.575 2.116 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1302499579 DCGWWVNWEBWPHU-DEOSSOPVSA-N 446.559 2.264 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 1303558369 YIDLVKBPVRCYHS-QGZVFWFLSA-N 443.481 2.190 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1303636003 HLYVPRKEFDFYCB-MRXNPFEDSA-N 440.639 2.128 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1304559795 AXSKGGZTNUZQDU-PZJWPPBQSA-N 425.533 2.349 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 1305324733 GINIJAKFDPPZDM-JTSKRJEESA-N 447.557 2.118 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1305349727 UEEZKQSQOQVKSH-HUYLIWGRSA-N 441.532 2.238 30 10 IEEE COC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1315801882 BOXPHHWDQVKDSR-GOSISDBHSA-N 427.553 2.121 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1nc2c(s1)C[C@H](C)CC2 1316098144 PNWLWERKEAGNIJ-OAHLLOKOSA-N 445.593 2.412 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)CC1 1316535246 HDRWSQJCMIOADJ-LJQANCHMSA-N 429.546 2.137 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCCCO)CCN1C1CC1 1316538307 JLXOXHKJBAJWRG-IBGZPJMESA-N 430.940 2.174 30 10 IEEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316540519 LIQRHFJKBHFDMY-AZUAARDMSA-N 440.523 2.223 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCSC 1358976037 OGSOUAVPLOYZJP-UHFFFAOYSA-N 430.603 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1358992795 XHIWXOPHMGDJBG-RTWAWAEBSA-N 447.539 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)N1CCOCC1 1358998078 OYXFSQSBODYLOK-HXUWFJFHSA-N 437.544 2.049 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1359036139 OEFNJKVFBBFBON-HXUWFJFHSA-N 442.633 2.367 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1359272399 RDCJDZDAXHMQPH-LJQANCHMSA-N 449.621 2.004 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359294265 PBPFQPLDIUKIGR-QFIPXVFZSA-N 444.967 2.202 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCOC2)C1 1359305150 UOYONXQWVJIQPZ-NRFANRHFSA-N 431.924 2.430 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NC2CCCCC2)C1 1359318399 DLYCKRFGFINGQH-SFHVURJKSA-N 425.537 2.355 30 10 IEEE C=CC1(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1453383286 YEDNUQAOJSCSGK-CHWSQXEVSA-N 440.484 2.234 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCc4ccccc43)C2)s1 1466085300 VFNJWRNCTBQSRP-OAQYLSRUSA-N 432.567 2.455 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)cc1 1475311415 UYXMXJHLBHNKNZ-FLIBITNWSA-N 445.493 2.381 30 10 IEEE C=CCN(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1475823145 SHPJAGVINRFZPY-CQSZACIVSA-N 431.942 2.416 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507621993 DPVZXIWJCSVHIM-RTBURBONSA-N 449.621 2.211 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507712390 FXAGDNBZZCKAFZ-UFYCRDLUSA-N 433.597 2.494 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1507723797 UYUYEVMPXOHCKD-WIYYLYMNSA-N 436.560 2.187 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C2CCCCC2)CC1 1507733318 UBVXGMYAMQUHJB-PTLVVNQVSA-N 445.608 2.089 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1508037352 BHRYFLGSSRPSMV-SFHVURJKSA-N 439.626 2.084 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1508086011 WQZMZMUBCJSIQT-AWEZNQCLSA-N 442.511 2.305 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCOCC2)C1 1508112983 TVEJZLUFAQIMAQ-QGZVFWFLSA-N 429.496 2.114 30 10 IEEE CC(C)OCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1509857578 YEFBOYWRMMKBOE-UHFFFAOYSA-N 426.521 2.212 30 10 IEEE CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1515434921 PSZULUMQYBTEDJ-HNNXBMFYSA-N 431.543 2.457 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccsc2)CC1 1515993760 IAQLHPNKTSQOOS-UHFFFAOYSA-N 435.557 2.185 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)OC 1519324315 XTCDDFYSJLQCOX-ROUUACIJSA-N 428.537 2.235 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OCC 1535345259 UDLFQBXNOUQVEN-YCRPNKLZSA-N 433.892 2.176 30 10 IEEE N#C[C@]12CN(C(=O)C3(Cc4ccc(OC(F)(F)F)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1539118353 LXCJJABWHCKFNT-KBXCAEBGSA-N 428.432 2.305 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCO[C@H](C)C1 1539178627 JDSBFAQGEJMWII-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1c2ccccc2C[C@@H]1C 1539391487 DEHSUYCXHRKIHI-IBGZPJMESA-N 436.560 2.051 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCCN1CCOCC1 1539570167 PVYDICFQPGJRPD-SXWKCWPCSA-N 431.581 2.107 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539917495 DYNQVCZUEZTUGG-BZSNNMDCSA-N 446.596 2.199 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1540398565 ZQCKBHZZPMGWEW-KHPPLWFESA-N 428.510 2.071 30 10 IEEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1541083791 RGRPKVAGBFFETH-AWEZNQCLSA-N 431.928 2.126 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(N3CCOC3=O)c2)s1 1544521053 OEKLECSGRHGPCX-UHFFFAOYSA-N 435.527 2.028 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1548161886 VDWXUZYINWUOOW-QHCPKHFHSA-N 440.548 2.208 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)CCO1 1554441552 GYYQRLFKSRERDS-LIRRHRJNSA-N 449.515 2.177 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(F)(F)F 1554617325 RFTSFBAVNSTLOB-HNNXBMFYSA-N 443.451 2.019 30 10 IEEE CSCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555936960 PHKFKSJFXQEDEO-UHFFFAOYSA-N 438.561 2.428 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)c3cnc(I)c(O)c3)CCO2)c1 1556071821 VENAIWPRZNQABX-OAHLLOKOSA-N 435.221 2.477 30 10 IEEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1 1557923043 LILGCIAVCIAHHK-UHFFFAOYSA-N 433.917 2.312 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 1561155069 TWBSMENADFSVSV-SJORKVTESA-N 448.404 2.311 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 1583305092 PLZZTIZATBNLKX-KXBFYZLASA-N 434.002 2.346 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CNC(=O)Cc4cccc(F)c4)CC3)n[nH]2)cc1 1583847842 GPRHTDJTMZDNHU-UHFFFAOYSA-N 446.486 2.095 30 10 IEEE N#C[C@H](NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1)C1CC1 1584314552 VBGMDCPXJUOGQR-PVAVHDDUSA-N 425.348 2.461 30 10 IEEE CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1584975853 FGFWTJVDVVWEMV-MRXNPFEDSA-N 443.525 2.194 30 10 IEEE CC(C)(C)N1C[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1585143457 OGUCAQXJCIYTTO-MRXNPFEDSA-N 448.589 2.049 30 10 IEEE COC1CCN(C2(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCCC2)CC1 1586328651 CTKNMHYTTNFTHT-UHFFFAOYSA-N 437.537 2.276 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1587783266 NHSVDFUYZMOOAU-INIZCTEOSA-N 428.562 2.130 30 10 IEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1588050828 VQYVPUKNPXQLBW-IRXDYDNUSA-N 441.557 2.098 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(O)c1 1588173719 HREXAPGIGUKWNK-UHFFFAOYSA-N 430.468 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC(F)(F)F)cc1 1588559460 HYNIBUPFNNIGGC-UHFFFAOYSA-N 439.438 2.449 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1589515685 RBODICHAJCCTQE-WIYYLYMNSA-N 425.533 2.397 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1)c1ccccc1 1593782790 VFNGTCWKFAQNSD-RSPOEFSDSA-N 445.589 2.463 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1594499042 ZJVGMGVNUDKMSU-HOTGVXAUSA-N 439.582 2.059 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1595161521 CFMRYSDTZRBALP-MRXNPFEDSA-N 432.575 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCOC2)C1 1595679832 CFKZBMQEZMSARG-GSHUGGBRSA-N 432.496 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1595788838 KJDSBQOSMXKFCZ-HKUYNNGSSA-N 431.562 2.255 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1614226457 VAGPENDMLRIUOZ-RLBWVDARSA-N 440.479 2.226 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1619608358 GAIVQTTZNCZFJH-PZJWPPBQSA-N 440.548 2.379 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)NC3CCCCC3)CC2=O)cc1Cl 1622923867 IGTUOPLBHAABGL-OAHLLOKOSA-N 431.924 2.313 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 1628921285 MFWCHIODHROFRC-CQSZACIVSA-N 430.448 2.014 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 1633898287 YHUVLRNTAKOMHQ-GOSISDBHSA-N 427.501 2.308 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(S(=O)(=O)N4CCCC4)CC3)n[nH]2)c1C 1635097177 CDYDFDLMZQXNSK-UHFFFAOYSA-N 446.577 2.106 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1636392886 YSLUJWQDMYLITL-CABCVRRESA-N 436.896 2.412 30 10 IEEE O=C(NCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccncc1 1636464139 UIKSJVCAOVKFNY-AOOOYVTPSA-N 431.283 2.441 30 10 IEEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CN(C)NC1=O 1637280400 BKQZNATXQFTIHM-VXKWHMMOSA-N 448.523 2.321 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1638075708 SXKGOLAUENXDAY-QGZVFWFLSA-N 435.546 2.070 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)c(Cl)c1 1639698496 COJXDUNBPUOBCX-CHWSQXEVSA-N 435.855 2.083 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCCNC(=O)c4cccnc4)CC3)n[nH]2)cc1 1639989983 QSFBWPBOOMGZSZ-UHFFFAOYSA-N 443.511 2.202 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1642653394 USSGUZDLJFULHN-QZTJIDSGSA-N 435.546 2.235 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1642698525 XYAYSNKMRPIUBU-MRXNPFEDSA-N 428.489 2.268 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1 1643756296 YQCJCQHPDIRLRE-VXKWHMMOSA-N 426.538 2.196 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CC1=O 1651185241 PZJWYHLOUJNEEI-IEBWSBKVSA-N 433.402 2.404 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1 1651874799 HZDFPJUWPBHQMI-OAQYLSRUSA-N 427.526 2.232 30 10 IEEE CNCCCc1[nH]nc(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)c1C#N 1654181770 JAXBRSROYXISFR-GFCCVEGCSA-N 431.294 2.260 30 10 IEEE O=C([C@H]1CCC(=O)N(c2cccc(F)c2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811557 IEAAKJZNGRCZDI-HNNXBMFYSA-N 439.443 2.473 30 10 IEEE N#Cc1cc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ncc1Br 1655021249 PQTABGJQOROCRH-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE C=CCn1c(S[C@@H]2CCN(CCC(=O)OC)C2=O)nc2sc3c(c2c1=O)CCC3 1656058060 JZIWNYBDFXNPDQ-CQSZACIVSA-N 433.555 2.389 30 10 IEEE C[C@@H]1C(=O)Nc2ccccc2CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1659383827 JHIICQOIMIEYMJ-VGOFRKELSA-N 435.503 2.377 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)NCCc1ccccc1 1663945561 BYEAXMIRZSDFEN-ZDUSSCGKSA-N 436.331 2.346 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1667599149 XCSZXLYBSAJADG-KRWDZBQOSA-N 436.578 2.213 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)ccc2Br)nn1 1669875478 YJLSIUFWWBKEEP-UHFFFAOYSA-N 436.129 2.468 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1674372010 KTSPVKDWWZZQPY-SFHVURJKSA-N 442.516 2.152 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1689830653 BGUAJPFIYLPNGI-AVRDEDQJSA-N 446.573 2.252 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC=CO1 1690088364 JHUVNPOHLJQUIR-QFBILLFUSA-N 447.536 2.360 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCOC1=O 1690108389 XCXDPTOMYPFVGQ-QZTJIDSGSA-N 433.553 2.125 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690326878 GEWOSTIHCCBTJM-UHFFFAOYSA-N 448.877 2.162 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690511171 RSCCIGKSLJZPKA-LJQANCHMSA-N 440.548 2.314 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1)C1CC1 1690536658 CPNLEUTZEIMKBW-VLIAUNLRSA-N 437.541 2.090 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCO[C@H](C)C1 1690621819 AUFMQIGIOKOAED-FGTMMUONSA-N 426.583 2.024 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690659352 QDYLPJUDHMFTBD-VQIMIIECSA-N 440.548 2.311 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690660685 MPPASIAONVFKNV-HUUCEWRRSA-N 446.939 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(N)=O)CC1 1690715523 NMLAXPIWXRZPDA-LJQANCHMSA-N 445.589 2.123 30 10 IEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CCOCC1 1697804617 IYALDEOTIPCZKX-XLIONFOSSA-N 425.533 2.467 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1698308642 ANAHENBEUZWEAL-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1705480259 SHRCGCGQRJQKFO-HTAPYJJXSA-N 427.553 2.143 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(O)CC(OCC)C2)c1 1705504248 QYJJSFBVBCEOMO-UHFFFAOYSA-N 425.533 2.388 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566392 NMVCRWSGYUBNRH-AQNXPRMDSA-N 449.621 2.021 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1705614867 YEKRDMSNHJYZOT-SFHVURJKSA-N 443.552 2.251 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1705656204 RHULPZYAKAUCMR-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1705666064 NDHIYEOBSUKGHK-MRXNPFEDSA-N 431.537 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1705700876 ZQBCUSWFNGIACC-XWSJACJDSA-N 438.594 2.167 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)CC1 1705780817 HGNYQQXBVLNSEN-YWZLYKJASA-N 425.599 2.232 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1705907638 SMRBJSAHVLKJRP-CQSZACIVSA-N 432.475 2.178 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nnn(C)n2)C1 1705920279 UTVPCQQPZFUEAQ-HNNXBMFYSA-N 445.325 2.061 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)C1 1705924471 DCCGMBKJMBDXMT-FCEWJHQRSA-N 426.608 2.247 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1706073827 UNAFLFGUZPADLD-HNNXBMFYSA-N 427.534 2.028 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(N(C)C)cc2)n1 1707833549 XMZKLDTUSZCDAQ-NRFANRHFSA-N 434.548 2.177 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H]1C 1710204742 FYJUOIXQRGYAFU-WOJBJXKFSA-N 437.592 2.458 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C 1710204834 HBZDNHBRACCPIW-ZIFCJYIRSA-N 442.589 2.170 30 10 IEEE CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1710275223 LKFZVFGQMUTSHK-VGSWGCGISA-N 428.537 2.362 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C)OC 1712162011 QDHKSINYUJFARP-LMNJBCLMSA-N 440.548 2.063 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1c(C)nc2ccccc21 1712565721 GTFUOFGOHVTIFT-AEFFLSMTSA-N 439.520 2.089 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccccc2F)CCO1 1712882688 FRWJMYHTDUZVGY-KRWDZBQOSA-N 435.463 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CS(C)(=O)=O)c1 1722306447 SJDJBDZRKXKFLS-UXPWSPDFSA-N 446.573 2.053 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722367577 WOBIRMIVJUFVPI-AEFFLSMTSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)NCCC)c1 1722388242 XMSOPOLXRPHNDI-UHFFFAOYSA-N 434.544 2.067 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCCN1CCN(CC)CC1 1722400729 XRZWNGYSNYTFDP-JOCHJYFZSA-N 426.609 2.053 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1722428242 CURZTQVMLWHQDF-OAQYLSRUSA-N 437.544 2.039 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCS(=O)(=O)CC2)cc1 1722705691 GMCMACGYNZUJKT-SFHVURJKSA-N 432.546 2.020 30 10 IEEE CC(C)NC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723650021 GBNAFEDGLGLRRN-UHFFFAOYSA-N 449.490 2.068 30 10 IEEE CC(C)OCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1723720392 XWYVNSGLGFMTLF-HXUWFJFHSA-N 449.556 2.495 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1Cc1ccc(C#N)o1 1727137029 MBTXQHXLAOLQJX-VQTJNVASSA-N 434.500 2.284 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1740578948 IJXPNZPXRGZGIR-UHFFFAOYSA-N 442.589 2.440 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1 1740655932 GMSBQYYCRZGFJE-OALUTQOASA-N 426.542 2.111 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc(C)s1 1740680770 NGDSAKDQVLKEQS-UHFFFAOYSA-N 436.339 2.330 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740963365 IOWCEYGLSLTSRL-RTBURBONSA-N 443.548 2.016 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC)cc2)C1 1740979401 DUWRAJKFYCBPSS-UXHICEINSA-N 425.533 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740991631 ATHXKIBIAGTLGI-QGZVFWFLSA-N 434.562 2.354 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1748703540 SIABHAOKRQFEIG-OALUTQOASA-N 443.573 2.367 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1748706574 MTRPHKGYHRHDDD-UHFFFAOYSA-N 426.521 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCOC1 1748889829 HBRIITHICLUUQF-FQEVSTJZSA-N 433.560 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC(N)=O 1749129693 GQGYIMUAYMZLGG-IIZJSDIPSA-N 441.532 2.472 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749239922 PGUQXFWDXADLJO-SFHVURJKSA-N 427.505 2.399 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749293954 JKCBQBQUUVOFRZ-HNNXBMFYSA-N 436.969 2.431 30 10 IEEE CC(C)CSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1750874055 YWTNGEPGOHNCMS-KRWDZBQOSA-N 428.562 2.430 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1751094259 GUZFBMNBYPSZPV-HOTGVXAUSA-N 443.556 2.308 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(C(=O)N(C)C)c2)n1 1751836967 CEGFUBZLFBLXEZ-MRXNPFEDSA-N 434.548 2.486 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H](C)O1 1752387967 KRJRVZIBPKAMRQ-RTBURBONSA-N 440.548 2.065 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1752557875 NJDBAWVGGHEMLA-JLCFBVMHSA-N 434.504 2.067 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760142335 ZHWIEAUXUFLUSY-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)C(C)C)CC1 1760252805 WGXYKGFQDPLJJN-DEOSSOPVSA-N 438.576 2.309 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@@H]2C)CC1 1760260831 FNAXGQIGMGNIKJ-ROUUACIJSA-N 426.590 2.461 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760377918 SBFZSFOGRRGRMD-QGZVFWFLSA-N 434.997 2.426 30 10 IEEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1760678290 DSDODZOTKCSXQS-UHFFFAOYSA-N 448.531 2.124 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@@H]1C 1760696627 RXRANFJQBFRDFA-QYZOEREBSA-N 436.626 2.431 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1761580282 QQIWGDVLWHDJAG-QFIPXVFZSA-N 441.536 2.268 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCSC)CCOC1 1767473934 SDLFFXSWAAWQKA-WIYYLYMNSA-N 434.610 2.250 30 10 IEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(COC(C)(C)C)on2)CC1=O 1767521098 DPKAHCOWJNUFAN-UHFFFAOYSA-N 449.515 2.447 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)C(F)(F)F 1768055739 NATKQJIHQNDZHG-MRXNPFEDSA-N 436.438 2.486 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1770755325 WROFRWZTHBNRIE-MRXNPFEDSA-N 444.517 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1772660369 IGEZVBHWINOLGH-VQIMIIECSA-N 434.562 2.416 30 10 IEEE CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)CC1 1849079333 FSHFTQISBIUWBR-UHFFFAOYSA-N 426.546 2.095 30 10 IEEE C[C@@H]1CC(=NC(=O)c2ccccc2C(=O)N2CCN(C)CC2)NN1c1ccc(Cl)cn1 1851632916 PMSXIKQNLJYCQC-OAHLLOKOSA-N 440.935 2.465 30 10 IEEE CC(C)[C@@H](C(=O)N(C)c1nccc(-c2ccccc2)c1C#N)N1CCS(=O)(=O)CC1 1851864352 NJZCLBDHDGRONG-FQEVSTJZSA-N 426.542 2.338 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc3cc(F)ccc3c2)C(=O)C12CCCC2 1854401053 IDTWTEJWAGBSOJ-UHFFFAOYSA-N 429.473 2.429 30 10 IEEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN([C@@H](C)CCC#N)C3(CCCC3)C2=O)cc1 1854498874 XMFKXPRVUUKXMK-SFHVURJKSA-N 431.558 2.445 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856721073 HFNQTPGIZJNYPE-RTBURBONSA-N 428.920 2.256 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)cc(-c3cccs3)n2)CC1 1858569563 RQIQAFIFSCKVOQ-UHFFFAOYSA-N 427.511 2.293 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2c(C)cccc2C)cc1 1858971811 IQOGWLMCRIJEHV-UHFFFAOYSA-N 445.541 2.215 30 10 IEEE C=CCNC(=O)C(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861774354 BMUVRWVHKOACHZ-UHFFFAOYSA-N 427.954 2.325 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862694644 OBDDJCDUWYJWGH-IBGZPJMESA-N 439.424 2.318 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(OC)c(O)c2)c1 1862704976 NFMHYNOWKVGXNF-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862745453 JGFPWQBZBJBVHM-QGZVFWFLSA-N 443.368 2.433 30 10 IEEE N#Cc1ccc(COc2nonc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 1872678172 QGHWVDOJMQPRGR-UHFFFAOYSA-N 434.412 2.391 30 10 IEEE C=CCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1872706677 JWPYFCMRAWCOTJ-LLVKDONJSA-N 448.501 2.366 30 10 IEEE CCCOC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874474835 VJUTTYAFIPHRMX-RGVLZGJSSA-N 438.506 2.117 30 10 IEEE CC(C)N(CC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1)C(C)C 1889064765 YUQWSTCEAFDBAD-VXKWHMMOSA-N 428.602 2.468 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 1901227369 QBXIVHAQJDQDRM-CYBMUJFWSA-N 427.738 2.332 30 10 IEEE CO[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2010547505 YCDWMZZZKNNJTJ-AUSIDOKSSA-N 428.533 2.249 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2060626393 WOMJLNZIPUPCPX-OAHLLOKOSA-N 438.330 2.233 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060639089 DUFCKIFCQCJUGU-YVSFHVDLSA-N 435.374 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2080221984 UZVOVQRYEAQNDR-LEWJYISDSA-N 442.560 2.497 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccc(C#N)cn1 2195273927 KPBOJQMGYSHXCE-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 2237388545 UOXJVFGGAPPKTK-HUUCEWRRSA-N 439.306 2.478 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247922225 DQSUKKJJKMOVFD-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE C=C(CS(=O)(=O)N(OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962276 MGGYLCVJDSZFHB-OAHLLOKOSA-N 446.375 2.377 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2248405616 VYRJFYLCVGYLIJ-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE C=C(CS(=O)(=O)N[C@H](C(=O)O)[C@H](C)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2248575228 ZEYAWIFPEUWQDS-RDJZCZTQSA-N 439.339 2.152 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255539595 BDZJJSPAWJHUQG-UHFFFAOYSA-N 431.342 2.414 30 10 IEEE Cc1nc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2255641595 TZBKJHNSTHKQCS-BTTYYORXSA-N 449.382 2.346 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255811804 DANHKBVBURQNGV-WCQYABFASA-N 430.232 2.250 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2267217725 KWZAWAQPGBOTTB-BBWFWOEESA-N 445.369 2.452 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)n1 2267523577 DOPGKEXZLMFYON-UHFFFAOYSA-N 448.373 2.235 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)nc2)OC1(C)C 2267588604 ODHMTWUJCDXDDD-AWEZNQCLSA-N 441.259 2.054 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267870086 ADDMCFRTKCZPQJ-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2271953647 YJHCONRBDDUYOM-ZBFHGGJFSA-N 448.373 2.235 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N3CCSCC(F)(F)C3)c2)OC1(C)C 2282414148 ORTXLKZMZSQPFH-UHFFFAOYSA-N 425.353 2.420 30 10 IEEE CCOC(=O)C(=CNC1CC1)C(=O)c1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1Cl 2297470895 NKRFDPAZZBYLNF-UHFFFAOYSA-N 436.896 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2315682587 AGNDZZOLNSSPSC-ZDUSSCGKSA-N 448.354 2.027 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCN(C)C)Cc2ccccc2)n1C 2315686146 ZHOFPKUCCZZPIY-UHFFFAOYSA-N 426.370 2.232 30 10 IEEE C#CCOc1cn(CCN(C)C)c(CN2CCN(CC=Cc3ccccc3)CC2)cc1=O 2328922093 KRBPDHWQPYMHLJ-UHFFFAOYSA-N 434.584 2.253 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)[nH]1 2337026362 PTTIYEZZTRCNPI-SFHVURJKSA-N 446.401 2.074 30 10 IEEE C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925081 JWFMNFGUHCRCAO-AWEZNQCLSA-N 434.468 2.170 30 10 IEEE COc1ccc(CN2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c(OC)c1OC 22808231 WELMNDPBUVZPCV-SBUREZEXSA-N 432.565 2.273 30 10 IEEE C#CCN(C(=O)c1cc(Br)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 222871351 YXFUAFVVLZGPMW-ZDUSSCGKSA-N 435.137 2.474 30 10 IEEE O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 254484755 ZLSCFQFTIAYTIY-RTBURBONSA-N 430.551 2.405 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 433552386 CSKVQOYTYUSQAI-XMSQKQJNSA-N 447.491 2.485 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 441382083 JTYVBRVZNGZFPV-LBPRGKRZSA-N 425.869 2.213 30 10 IEEE COC(=O)CC1(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCS(=O)(=O)CC1 442195373 AOWSYPQIWPJIMQ-UHFFFAOYSA-N 449.407 2.089 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447276585 CAYGPNKIVMPZBZ-UHFFFAOYSA-N 448.454 2.387 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 461749603 VHIUEMZZRHXNHF-QZTJIDSGSA-N 436.472 2.059 30 10 IEEE N#Cc1cc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)ccn1 475914687 JFSVPVYNNBEDGB-UHFFFAOYSA-N 429.274 2.079 30 10 IEEE Cc1cccc(NC(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3cc(C#N)cs3)c2=O)c1 481038620 QINGFTBONJUFLJ-UHFFFAOYSA-N 449.557 2.379 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 486862870 GZHGDSKYBPXGMV-CQSZACIVSA-N 438.428 2.115 30 10 IEEE COc1cc(C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)ccc1C 513786467 HIOXZAOTJHUFBZ-UHFFFAOYSA-N 427.526 2.107 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 522673992 HHLOBNQTTWASDM-UHFFFAOYSA-N 430.913 2.227 30 10 IEEE N#Cc1cccc(CC(=O)NC[C@H](O)COc2ccc(I)cc2)c1 531157372 VFNATIRGRKIIQZ-INIZCTEOSA-N 436.249 2.261 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1=O 543040284 VEBDEPRZAYZAFQ-QGZVFWFLSA-N 433.434 2.281 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 555260750 JNHYWBQZITWFTJ-HNNXBMFYSA-N 435.550 2.009 30 10 IEEE C=CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 562623001 DZEYZQWSMFHPPM-UHFFFAOYSA-N 425.551 2.466 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1C 564379933 VFIBDOROSGGAHJ-RBUKOAKNSA-N 431.562 2.447 30 10 IEEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1-c1ccccc1C 603799332 KZWQGJXDAJNTCB-UHFFFAOYSA-N 447.560 2.090 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 619753116 MFZPKASKBHYZJL-UHFFFAOYSA-N 439.946 2.475 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 729879370 DXCSKLFUKSFLQK-KRWDZBQOSA-N 447.511 2.260 30 10 IEEE C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735233036 HGZGGESDPGVSRC-FQEVSTJZSA-N 437.847 2.185 30 10 IEEE Cc1c(Br)cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1[N+](=O)[O-] 743345284 UKOWHHYVEDCFBP-GFCCVEGCSA-N 429.296 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1 757580570 VBDBDUGARANBPY-BBWFWOEESA-N 430.530 2.077 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C)cc2C)C1 760301743 MCGYBHYRTPEAPT-NVXWUHKLSA-N 431.562 2.175 30 10 IEEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 765078774 WFBTUHHIZDYIAZ-UHFFFAOYSA-N 429.594 2.106 30 10 IEEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NS(=O)(=O)Cc1ccccc1C#N 772550250 YREGQCSNXURTBV-MRXNPFEDSA-N 439.559 2.247 30 10 IEEE C#CCN(C(=O)N[C@H](C)Cc1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 774261012 DXNXATNFRKNFQH-DOMZBBRYSA-N 431.327 2.351 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc4c(cc3C#N)CCCC4)C2=O)cc1 775605863 NKXOXDUWSBVGGG-QHCPKHFHSA-N 433.468 2.246 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 779378498 UQQNHRBUNZOXRD-DZGCQCFKSA-N 430.357 2.404 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)c2sc3nccn3c2C)c(=O)n(-c2ccccc2)n1C 780310205 VUHOKNYPVPUKGV-HNNXBMFYSA-N 434.481 2.463 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 781649962 UNVPWAUECBLYGV-INIZCTEOSA-N 443.594 2.425 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ncccc2S(C)(=O)=O)C1=O 782816763 WMXFOBMIICUGEW-INIZCTEOSA-N 446.554 2.061 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 783012475 QUDYAGGOGDTMIJ-AEFFLSMTSA-N 445.944 2.430 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)n1 788533277 BSQJJTORTQWSOQ-IRXDYDNUSA-N 446.577 2.263 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C)c1ccc(F)cc1 794894491 YJEDJHCTSYLHQT-OAQYLSRUSA-N 431.533 2.468 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 809887536 ZACMYBGDBHNLAI-HNNXBMFYSA-N 436.557 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2C[C@H]2CCCO2)CC1 812310474 YFMPBAXJCVAJKI-TZIWHRDSSA-N 435.528 2.099 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(F)F)cc1F 814708085 DGXAHABFXHQOJH-OAHLLOKOSA-N 446.495 2.489 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(O)C2=O)ccc1Cl 816692565 QONOIMZXHYBNQB-QGZVFWFLSA-N 449.916 2.441 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(F)cc(Br)c1 918379748 SYENQZGMDFGICZ-UHFFFAOYSA-N 440.294 2.333 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(Br)cc1C#N 1127138435 NMITVBWGMKSUEU-CYBMUJFWSA-N 425.290 2.262 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC 1128906006 RLGWGNRVOYJGBB-XLIONFOSSA-N 448.589 2.479 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3cccc(OCC(N)=O)c3)C2)C1 1135544109 CVHJBYHYYLLDAY-HVPFBLEYSA-N 428.489 2.276 30 10 IEEE C=CCNC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1137840769 CZXBOOFZGBSGFZ-OAHLLOKOSA-N 426.311 2.433 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1140723895 QULSETDMECCCNK-HZPDHXFCSA-N 439.944 2.177 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnc(S)n3C3CC3)C2)C1 1144022264 ZNNASUWUDNRJMJ-BTTAGBNVSA-N 432.550 2.305 30 10 IEEE C#CCN(C(=O)C1=C(C)N(C)c2nnnn2C1)[C@@H]1CCOc2ccc(Br)cc21 1146862231 QNCHQFVUBYUQNO-MRXNPFEDSA-N 443.305 2.145 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1(N2CCOCC2)CC1 1156560541 GHGWGYDQMGBZBS-FQEVSTJZSA-N 440.544 2.374 30 10 IEEE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1178460414 JACHTZWUZCRGSM-UXHICEINSA-N 434.479 2.274 30 10 IEEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286346554 YCSSSLTXFFPJEM-UHFFFAOYSA-N 433.516 2.416 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1286512081 INMPREHTGQEZNC-WIYYLYMNSA-N 430.578 2.372 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286577833 BQEIRBRTSBSWJI-DLBZAZTESA-N 439.568 2.132 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1 1286607252 NFVYPOBXYLQGKI-UHFFFAOYSA-N 428.566 2.050 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1286620271 ICGAHXASWWBXOB-ZDUSSCGKSA-N 430.987 2.029 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286669459 GTXNQQORJDPDPO-QGZVFWFLSA-N 435.536 2.474 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1286762088 ADPIGBXEEHCGMA-AUSIDOKSSA-N 425.533 2.270 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1287911256 GVJVRPMOEHSJEK-OAQYLSRUSA-N 437.592 2.315 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccccc2OC)C(=O)OC)c1 1295362849 MOQIADSNUZVNBX-LJQANCHMSA-N 443.521 2.254 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC1(O)CCC1 1296885372 IBRHYLABTCTBLV-QGZVFWFLSA-N 427.505 2.290 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 1298830449 BWLACTNFNZKGMT-OAHLLOKOSA-N 441.550 2.208 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1300309089 SBVGENILCHLVGD-JKSUJKDBSA-N 426.546 2.147 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1300337273 XQVFWLJBZFWYFO-QGZVFWFLSA-N 430.553 2.421 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300371225 AOCMAOAXNPUYQM-JOCHJYFZSA-N 438.624 2.159 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1300382096 NMIPCYFSRBZQCC-UHFFFAOYSA-N 440.523 2.498 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300413619 ZEOUFXYWUSJFPF-FQEVSTJZSA-N 425.508 2.249 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300443823 OCWXBHQYZGCRAJ-IBGZPJMESA-N 427.516 2.387 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(Cc2ccccc2)CC1 1300534753 DWFLWUPGPKQABK-DEOSSOPVSA-N 446.599 2.410 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc([C@@H](C)O)cc1 1300544889 HLYFDQGNNHTIST-QGZVFWFLSA-N 433.537 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1300718565 STGKFHPXMQTPKZ-IBGZPJMESA-N 445.571 2.267 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300888386 JJCQGXWUYFDHIF-POAQFYNOSA-N 433.578 2.114 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCNS(=O)(=O)CC)CC1 1301074850 MZAGSJXJKHYDRG-UHFFFAOYSA-N 449.577 2.448 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301514157 FVYKAADZCXBBSP-BEFAXECRSA-N 429.496 2.302 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)cc2)C1 1301565237 AJKUTPMAZSZOMF-FQEVSTJZSA-N 425.533 2.433 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1305664784 FPOCNEHFRZEBPU-PXNSSMCTSA-N 434.541 2.201 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)c1 1306887885 KNZBMVYEDWTKTJ-QXAKKESOSA-N 446.326 2.054 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1306901866 OHFSAJMCOCIXOO-NRFANRHFSA-N 435.546 2.302 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1313272027 OWLZZGFZLBZHHP-UHFFFAOYSA-N 433.512 2.031 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@H]1CCCO1 1319571626 JEERWBISNOSIKZ-GOEBONIOSA-N 444.528 2.355 30 10 IEEE Cc1ccc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC[C@@H]2CCOC2)c1 1320026324 DZRNJNTWEQGNFL-INIZCTEOSA-O 448.590 2.303 30 10 IEEE COc1cccn2ncc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)c12 1354741735 VGQLLUYZLPSOMX-PTGBLXJZSA-N 427.486 2.408 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)N1CCOCC1 1358969981 BONUCKCZMBRMSD-RBUKOAKNSA-N 425.508 2.351 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1359034091 CHVMHUPTNPIILI-UHFFFAOYSA-N 445.449 2.223 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(O)(CCC)CCC)CC1 1359044259 ARUHSPNSZLYVIV-FQEVSTJZSA-N 445.608 2.469 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359055664 LOCAKKALFVZCHM-QGZVFWFLSA-N 430.622 2.091 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1359059059 ZPYKXCUGMACYEN-UHFFFAOYSA-N 441.557 2.323 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359134646 CDEOOEDBESLHEV-NRFANRHFSA-N 426.565 2.158 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(CC(F)(F)F)CC1 1359303598 UUEIPVCTIPRJRX-UHFFFAOYSA-N 442.511 2.307 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C1 1359311495 BTGKTDKBXZPATO-SFHVURJKSA-N 425.537 2.193 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CCC)CC2)C1 1359324506 MFIJHQFULKZROA-FQEVSTJZSA-N 430.597 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359330019 DABSRTBUYMWAMH-IBGZPJMESA-N 446.621 2.197 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)ncc2Br)CC1 1436029307 MOUMJPMOWROYPF-UHFFFAOYSA-N 429.112 2.208 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1440687108 UUXFFRQABMGEMG-GOSISDBHSA-N 433.434 2.384 30 10 IEEE Cc1cnn(-c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(N)cc2F)c1 1447488242 UDALKXGIHYTRLF-CXAGYDPISA-N 428.468 2.391 30 10 IEEE N#C[C@@]12CN(C(=O)[C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1463001034 YFOSQGWNLHWKLO-ZRCAFCQKSA-N 432.448 2.482 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 1466077281 RTHUAHDVINMPFX-INIZCTEOSA-N 438.502 2.122 30 10 IEEE N#CCc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1 1469413093 JSIBIYSPPKITMZ-UHFFFAOYSA-N 428.333 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1nnn(C(C)(C)C)n1 1469637791 YNBQIDGUGDOQKV-SFHVURJKSA-N 439.520 2.450 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC=C(c2cnn(C)c2)C1 1469995626 FYDAHFQVSXVKHR-IBGZPJMESA-N 441.557 2.189 30 10 IEEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1473627943 VMGRJZJOENBVRP-IBGZPJMESA-N 433.574 2.010 30 10 IEEE Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)c1 1492623980 FNFYESWVTDSRFS-UXHICEINSA-N 432.532 2.365 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@@H]1C(C)C 1504887148 RRLQZMBVKOHCRC-OXQOHEQNSA-N 444.536 2.433 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1504964355 HOICPACZBOXDJU-VGOFRKELSA-N 443.527 2.488 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507667600 PHJKPGDSFMPUHU-ROUUACIJSA-N 440.548 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(C)c2ccccc2)CC1 1507736771 RQPNZQMDRFXQOH-UHFFFAOYSA-N 443.555 2.442 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507935734 UKGMCBFFKPSUBU-KRWDZBQOSA-N 447.561 2.092 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1509949529 AIZQTVDXXIOEAY-APWZRJJASA-N 435.532 2.138 30 10 IEEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c2ccccc2n1 1510604444 GYQFELDGNQKVHL-LIRRHRJNSA-N 446.515 2.386 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCO[C@@H](c4ccncc4)C3)C2=O)cc1 1525988309 WJHDDSNJDGTOFI-DFQSSKMNSA-N 433.468 2.195 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CCOC)CC1 1539154074 GFFHTVXTKMCHSB-UHFFFAOYSA-N 431.562 2.082 30 10 IEEE CC(C)(C)c1cc2n(n1)CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1539191443 CFJWJSIPZQWWBA-GOSISDBHSA-N 434.500 2.300 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539630226 DGEWUCUVBVDTKK-QXAKKESOSA-N 437.610 2.387 30 10 IEEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539961572 ZTMMBCDNHJTDCV-SFHVURJKSA-N 448.593 2.260 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1540170770 QEFQSZYEUPXBDW-IBGZPJMESA-N 439.516 2.251 30 10 IEEE CCOC(=O)[C@@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1540321490 NSPATPRHPGESPZ-AQZMIJIOSA-N 437.562 2.280 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1540869902 ACPLUNREIRHEEM-LEWJYISDSA-N 444.624 2.423 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2ncccc2F)CC1 1540870274 IYMAMXQDPAKIFS-SFHVURJKSA-N 443.527 2.073 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1540889753 SYDWYYWCIPDNHX-HOTGVXAUSA-N 437.470 2.401 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C(N)=O)c2)C1 1540894801 FYTMARMHMWVZHB-OAQYLSRUSA-N 449.559 2.263 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CC1 1540961923 DQXBFGRUVBGZOO-UHFFFAOYSA-N 444.543 2.385 30 10 IEEE CC(C)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541372371 WSAQNIHMJFRCKS-JLUOLNIDSA-N 428.537 2.181 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)COc2ccc(C#N)c(Br)c2)C1 1544006718 OOMSXHQUEDJBPV-HIFRSBDPSA-N 438.322 2.089 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CC1 1554149238 FTFRTXXEWUDUPO-YTTGMZPUSA-N 449.540 2.345 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1554550562 DRWPVWAVMQPVDC-IBGZPJMESA-N 440.504 2.161 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCCOCC(F)(F)C(F)F 1568605453 OOYDHFFMDFHBOH-RCWTZXSCSA-N 448.335 2.005 30 10 IEEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2=O 1585090487 GBDDUOKRHZQYAT-MZNJEOGPSA-N 437.544 2.140 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1SCCS1 1585645655 JHIDJARSVYXSHD-AWEZNQCLSA-N 427.617 2.452 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1 1586476624 IBXYIVZLFSJYMC-AVRDEDQJSA-N 425.554 2.239 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1586777947 OZNLMSXYWXFEDF-ZACQAIPSSA-N 436.574 2.087 30 10 IEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1588069920 UZXUOJGEIVECML-RTBURBONSA-N 446.573 2.136 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1589242446 AMYOPLOULRZTJQ-HSZRJFAPSA-N 448.552 2.409 30 10 IEEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593914963 SXGRUIYHTMLJQW-KRWDZBQOSA-N 444.923 2.391 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C)C1CC1 1595058657 SNESTPHCQIYRDZ-FQEVSTJZSA-N 445.589 2.317 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595577080 INIFRDGBLGMRLF-GOSISDBHSA-N 435.532 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1595805878 XAMQMPBEHAIUAL-HNNXBMFYSA-N 440.591 2.042 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1596243571 HZAASYODEOZLKA-XHDPSFHLSA-N 437.290 2.448 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2cccc(C#N)n2)C1=O 1611045762 CLPYRBADZKPHNO-GOSISDBHSA-N 428.246 2.121 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O 1611297449 DWKJLFGHZBPFIL-LBPRGKRZSA-N 426.340 2.491 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)ccc1F 1611365213 HCXWCXUUKSZUGT-UHFFFAOYSA-N 443.504 2.058 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCO[C@]2(CCOC2)C1 1617132293 PFMCOBWQUYJHNX-AUSIDOKSSA-N 427.501 2.410 30 10 IEEE COCc1nocc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1619676691 DHJHVQHUHPXBKR-LJQANCHMSA-N 427.396 2.478 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)cc1OCC 1627385600 MDIANMIZBHMQFA-UHFFFAOYSA-N 447.557 2.401 30 10 IEEE C#Cc1cccc(CNC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1636158634 UYFXTBMQKBOWIJ-SFHVURJKSA-N 427.501 2.219 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1)c1ccc(Br)cc1 1636561600 DIGQPOQOVMWWMQ-CJNGLKHVSA-N 428.352 2.094 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1637415258 BJYMEQIFEJQIBP-VQIMIIECSA-N 447.557 2.286 30 10 IEEE COc1cccc(C[C@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)n2nnnc2C)c1 1639265050 AYYSBGPFSSSWQS-JTHBVZDNSA-N 445.527 2.383 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(F)cc3F)CC2)s1 1642724865 HJTRCBGIOQZBRQ-UHFFFAOYSA-N 441.525 2.382 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC(O)C1 1643808538 GTXAHTRUXMWUOV-UHFFFAOYSA-N 432.496 2.012 30 10 IEEE COC(=O)C1CC2(C1)CN(C(=O)COc1ccc(C#N)cc1)C[C@@H]2C(=O)OC(C)(C)C 1645276907 CMICKSVCTPCDRG-BISSLNBESA-N 428.485 2.307 30 10 IEEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccc(Cl)cc1Cl 1648790287 DNAJGGFAIXWWEY-UHFFFAOYSA-N 445.266 2.319 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)c1 1651134952 ZGJJAXCJFLSOEF-KRWDZBQOSA-N 437.880 2.229 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1nnc2c(=O)[nH]ccn12 1654676342 GHPFFPGJXFOPRQ-LBPRGKRZSA-N 425.518 2.079 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@](O)(CN(C)C)C2)n(Cc2ccc(F)cc2)c1C 1659181590 RLRMXWOVTWZKBK-XMMPIXPASA-N 441.551 2.491 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)cc1 1667956662 PQVABZIZBTVVNT-FUHWJXTLSA-N 433.534 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2Cc3cccnc3N3CCC[C@H]3C2)C1 1671494692 DBXXFXALWMDFMC-BZSNNMDCSA-N 426.521 2.335 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1685423661 NXRQOZYZURNVSS-KZNAEPCWSA-N 444.536 2.173 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 1689949680 NZSWAEVNVRRBHK-UHFFFAOYSA-N 434.386 2.131 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1690169787 OJVRTJULKUYZDZ-QGZVFWFLSA-N 429.594 2.178 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690408317 DUEJXNPJDJVJFR-SFHVURJKSA-N 435.523 2.437 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1690583771 WQMOJCSHUTVPJT-RBUKOAKNSA-N 437.610 2.063 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690672380 QJNARESEZPNJCH-UHFFFAOYSA-N 431.610 2.120 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690675110 PLHMSBAGBZGNPD-WOJBJXKFSA-N 436.560 2.003 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1690683592 OVFHXNSPHHKSJO-LJQANCHMSA-N 440.548 2.247 30 10 IEEE C[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1692725463 IDWNFKZAELSCST-MBOZVWFJSA-N 426.521 2.250 30 10 IEEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1696767982 HCXWLZZQMICNHA-GOSISDBHSA-N 429.546 2.114 30 10 IEEE COCCCn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1698003185 MQKXZCXIOXQIEV-MRXNPFEDSA-N 438.561 2.344 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1705490895 STCPNYMGMLQQGF-MRXNPFEDSA-N 442.527 2.159 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(N(C)C)CCSC1 1705578432 RYXSSDMBDFSAKX-QHCPKHFHSA-N 439.585 2.472 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705678043 MASAYVRODUARDJ-DBXWQHBBSA-N 435.594 2.011 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705811150 SMVHXVMCBXZREH-UHFFFAOYSA-N 442.568 2.206 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705830267 LZXVEBDJIOIGBC-FXAWDEMLSA-N 441.532 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CCOCC2)C1 1705920231 SZAGQAUKFWJIMB-XLIONFOSSA-N 442.520 2.355 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)c1 1707221200 UIRIHAJBQZYGPW-DENIHFKCSA-N 427.505 2.008 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC)OC 1709520599 FEDVDZVLRPVTFX-RBUKOAKNSA-N 426.521 2.259 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cnn(CC)c3)n2Cc2ccc(C#N)o2)CCOC1 1710430997 JWZSYVQEVFAGSA-OAQYLSRUSA-N 425.493 2.296 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CCCCC1 1722274366 LQEZYLBNNDDTRC-IBGZPJMESA-N 428.581 2.007 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1CCOCC1 1722287804 SXIVQWGWPJYYNO-KRWDZBQOSA-N 425.533 2.285 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@H]21 1722316512 JISFCTLRVXVATB-QRVBRYPASA-N 435.594 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CC(OCC)C1 1722378700 HRFMIHBSLKELPP-UHFFFAOYSA-N 430.512 2.134 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCNC(=O)C(C)(C)C 1722417890 XNOWHZDHOMMCFR-UHFFFAOYSA-N 442.539 2.358 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C(CC)CC)no2)CC1 1722429399 LQTCUYWREUMRRG-UHFFFAOYSA-N 439.564 2.209 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2oncc2C1 1722530333 CVWFUAHFCRSODW-UHFFFAOYSA-N 443.529 2.492 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)OC)CC1 1722547008 GWGONJKZHKGZMO-UHFFFAOYSA-N 428.884 2.063 30 10 IEEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722652866 PKYJNEUCSJMUMH-KRWDZBQOSA-N 433.553 2.444 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C3OCCO3)c2)C1 1722708624 AEEPNMOWQYIHHQ-LJQANCHMSA-N 441.532 2.291 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNS(C)(=O)=O)C1 1722715370 OXALSNDSARWRBR-QGZVFWFLSA-N 445.545 2.412 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1722869247 HFRKDTCJVYUDQS-WBVHZDCISA-N 445.568 2.472 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1(C)C 1729219914 SRVSWCNOAVNMJH-UHFFFAOYSA-N 446.577 2.437 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1729431647 BZCAEWHSDNAGQC-UHFFFAOYSA-N 432.532 2.361 30 10 IEEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC(C)(C)C2)C1 1729597787 GDBDKOXHXGUGFG-JOCHJYFZSA-N 442.589 2.127 30 10 IEEE COC(OC)c1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1729906072 WBLJXYCSGQNCAI-MRXNPFEDSA-N 448.531 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CC1 1740647003 HVNGWMWOMNHHSQ-UHFFFAOYSA-N 425.558 2.458 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@H](C)CC 1740670679 TYURFEFFBIULKI-GOSISDBHSA-N 438.580 2.216 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)n(C)c1=O 1740681784 VIXDSVPGIUGKQQ-UHFFFAOYSA-N 426.908 2.135 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2CN(CC)CC)CC1 1740695832 FKUNVQPQJOOLFN-HSZRJFAPSA-N 436.604 2.427 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CSCCS2)CC1 1740704647 VNEWMFSSACHUME-QGZVFWFLSA-N 442.614 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1740706519 VCWBGIXYLGNHKI-MRXNPFEDSA-N 444.580 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCSC2)CC1 1740707360 ZEYRSGZCMBGTSP-IBGZPJMESA-N 438.601 2.373 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740720272 ZJJLCMNISKMHTK-PKOBYXMFSA-N 430.574 2.484 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1740726735 MIKGUHPCUCYOHE-JOCHJYFZSA-N 438.488 2.094 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCOC1 1740769184 SZNJFETWNKOIQY-NRFANRHFSA-N 448.593 2.100 30 10 IEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCn1cccn1 1740808932 CPMDMLQRKHKWKG-UHFFFAOYSA-N 434.957 2.324 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1740921183 NAQRFLHJYYBYIN-LJQANCHMSA-N 443.523 2.363 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1740953085 VGJNYVAFIPNPGP-DLBZAZTESA-N 430.528 2.390 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1740994133 MVZTVYKMMJRZPD-ZWOKBUDYSA-N 426.583 2.013 30 10 IEEE CC(C)(C)c1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741175328 XIHDAERITZNFEH-ZCXUNETKSA-N 428.537 2.109 30 10 IEEE CC(C)Cc1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741486726 PDZMIPALNWVRAM-KHOFPDMRSA-N 442.564 2.256 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741985472 YJADGSGTHAIHEW-PRGIXHJTSA-N 439.520 2.176 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1747675599 NVGBEQUJELZXDR-UHFFFAOYSA-N 428.537 2.241 30 10 IEEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1748290763 FBWRUQDPICWNNU-ZIAGYGMSSA-N 440.957 2.359 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748802896 SVIGFHQKLZUQSX-VQTJNVASSA-N 430.574 2.286 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1748818887 HKZFYZQXRDQFFK-WIYYLYMNSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1CCCO[C@H](C)C1 1748853161 WFCCTCIGFLEGLE-GOSISDBHSA-N 426.590 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccccc2)CC1 1749009489 RJIOREONOJGMMD-SFHVURJKSA-N 445.527 2.168 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749162535 PDQQFHBBCUEIAS-FQEVSTJZSA-N 438.981 2.474 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1749634866 LQHQKXODUSDBGE-CTNGQTDRSA-N 437.592 2.267 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1749708887 MRFSMUXTQWVFOR-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(CC)C1CCCC1 1749721729 SGHVMCLQBNMUAD-UHFFFAOYSA-N 432.550 2.295 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@@H]2C1 1760130545 LNINWNLUOQTYLY-KRWDZBQOSA-N 447.381 2.370 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1760224468 LRARHCUSPJRMIP-UHFFFAOYSA-N 445.483 2.390 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1760235358 KVIHNKHPDSBIMZ-LJQANCHMSA-N 430.530 2.075 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(N(C)C)Cc2ccccc2C1 1760245663 APYDXLIRUCCLQW-UHFFFAOYSA-N 432.572 2.469 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)CC1 1760318852 PYDQQKADKGIFCR-IERDGZPVSA-N 441.532 2.270 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760425794 VVFAHPUQZZIDRK-RTBURBONSA-N 427.553 2.304 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760449697 RLMMMRWNKMIYDE-PMACEKPBSA-N 441.532 2.408 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760507651 WNJFAKZLSMMWRJ-MRXNPFEDSA-N 429.546 2.030 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1760637772 FWOKLWACUKSODB-NRFANRHFSA-N 449.559 2.324 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCOC2)cc(OC)c1OC 1768279866 CUFZXDCKUWPJBS-KRWDZBQOSA-N 441.488 2.046 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1768426837 HQWIFXLXLCMGKL-WOJBJXKFSA-N 438.532 2.193 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1769124481 DWQQEMUPCXDRNG-OALUTQOASA-N 440.548 2.219 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(C(=O)N(C)C)CCCC1 1771280123 HPBQHTASGWIIOG-BZSNNMDCSA-N 432.569 2.247 30 10 IEEE CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771463760 FLNQOKXAHDBMNN-UHFFFAOYSA-N 442.593 2.153 30 10 IEEE Cc1nccn1C1CN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)C1 1851197839 RDKDIUIZZSSAJM-QFIPXVFZSA-N 449.536 2.036 30 10 IEEE C[C@@H](OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1851793780 WJKBHSWZHAWDMV-CRAIPNDOSA-N 446.504 2.421 30 10 IEEE Cc1ccc(=O)n(CCNC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)n1 1852119478 JNHFXMWOCLEMSE-QFIPXVFZSA-N 441.491 2.327 30 10 IEEE N#Cc1c[nH]c(=NC(=O)c2cc(Br)cnc2N2CCOCC2)c2ncccc12 1852773404 HMXQKLUMCMHPSK-UHFFFAOYSA-N 439.273 2.170 30 10 IEEE COCCN1CCN(Cc2ccc(C(=O)Nc3nc(SC)nc(C)c3C#N)cc2)CC1 1852795061 ONTVJEIWYQOUTP-UHFFFAOYSA-N 440.573 2.395 30 10 IEEE C=CCN1C[C@@H](C(=O)N(CCN(C)C)c2nc(-c3ccc(Cl)cc3)nnc2C)CC1=O 1853053183 JCBOVKFWJDXJDZ-KRWDZBQOSA-N 442.951 2.430 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)ccc21 1853186254 ZEHPCHQWQCDOHN-OAHLLOKOSA-N 435.546 2.234 30 10 IEEE Cn1nncc1CN(Cc1nnc2n1CC[C@H](C(F)(F)F)C2)C(=O)c1cccc(C#N)c1 1853537434 SJHUTWYNCWSOGL-HNNXBMFYSA-N 444.421 2.246 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CSc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857074499 KEFSKQDFDLYULO-QFBILLFUSA-N 433.549 2.402 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1F 1862638177 VTFHHLTWVONAOE-LJQANCHMSA-N 430.432 2.385 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706394 VONDVNOLZZCWOX-ADLMAVQZSA-N 428.397 2.268 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1cc(OC)c(OC)cc1OC 1864873492 YUKZHICFGDAJBQ-SFHVURJKSA-N 442.516 2.488 30 10 IEEE N#Cc1cccc(C(=O)Nc2nc(N3CC(O)C3)nn2-c2ccc(Br)cc2)c1 1870003251 GNLQGSVAAVYAQB-UHFFFAOYSA-N 439.273 2.335 30 10 IEEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870349240 GBWDABZNFWMBHP-GOSISDBHSA-N 439.512 2.019 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c1 1890748473 MXSOHNPFALWKCF-UHFFFAOYSA-N 447.601 2.235 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1963727725 OVKYYRDBRGVPON-PWRODBHTSA-N 442.560 2.495 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010549869 LVJHRDNQCNMPIU-VAMGGRTRSA-N 428.533 2.105 30 10 IEEE C[C@@H](CCS(C)(=O)=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172782939 YINJVOWIBCEAMG-LBPRGKRZSA-N 447.204 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCC#CC(=O)O 2229119719 FWJMVOQQAOHZEG-CQSZACIVSA-N 425.279 2.089 30 10 IEEE C[C@H](CN(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243388921 FIOAYRXGHCQUJK-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE Cc1sc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2247825054 YMDQDDCFLDOHRU-UHFFFAOYSA-N 432.273 2.106 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254761772 NNVXPCKDIFVSSB-HIFRSBDPSA-N 438.305 2.438 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603151 BHQUFKRJFVJSAT-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255627325 QYEQXAZZTBMXEP-CQSZACIVSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255636062 PCXXNJLKDLYCSG-GZBFAFLISA-N 449.382 2.428 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256599936 ZKQNZDFEIJMHRU-QGZVFWFLSA-N 434.342 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267093067 ZVGAGPIBNCOTSW-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE COc1ccc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267101938 MRHHEBOPBRELEK-CQSZACIVSA-N 448.325 2.275 30 10 IEEE Cc1c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267137918 UOXUDOBSIBHAAI-QFBILLFUSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265830 LBNINKORRCSYTL-GOEBONIOSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267838084 NATRUTCMGGCIRS-INIZCTEOSA-N 445.369 2.129 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267882042 NHZDZEBBMODTOY-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268707103 SEMWMMOPWYOQPS-UHFFFAOYSA-N 447.341 2.392 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(C)(C)CNC(=O)OC(C)(C)C 2315534249 RBURTVPGFPEQAX-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2cc(O)c(C(=O)N(CCC(N)=O)Cc3ccccc3)cc2F)OC1(C)C 2339455014 HHHHFHDPLKBZFO-UHFFFAOYSA-N 442.296 2.348 30 10 IEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccco3)n2)s1 21076414 QBSMKIXNSIAVDU-VIZOYTHASA-N 440.536 2.165 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425844 HBCNFYCJLAVHCM-LJQANCHMSA-N 428.441 2.353 30 10 IEEE C[C@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)n1cnc(C#N)n1 409775075 QAKRIJNVZHQHNG-BLVKFPJESA-N 445.451 2.298 30 10 IEEE CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 439618655 CPRTWZVZJFOKOP-CQSZACIVSA-N 428.470 2.228 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cn1 461283568 JLVWFDNIDOZWPW-UHFFFAOYSA-N 430.449 2.440 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 476462255 QXMNFVXYYROCKE-FQEVSTJZSA-N 439.509 2.243 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cscn2)c1=O 478755661 OIZXCTWTDPVXMB-HNNXBMFYSA-N 437.546 2.163 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccsc3)c2=O)c1 479384906 XSPPOXDECRTOIK-UHFFFAOYSA-N 425.535 2.401 30 10 IEEE CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)nc1 488728591 RVZZRJRWULCFJS-UHFFFAOYSA-N 432.477 2.170 30 10 IEEE CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 502462273 GAQACLRAQPNNMZ-SFHVURJKSA-N 444.538 2.010 30 10 IEEE Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503629576 TWJUZGNYNGLHGX-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 508811727 INHDUMOMPIHGPS-UHFFFAOYSA-N 425.468 2.404 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508912969 NQTGGUJLVRCSTQ-IBGZPJMESA-N 443.515 2.144 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C[C@H]3CCCCN3C)CC2)cc1 522549841 PXECKLXHVBRYRN-JOCHJYFZSA-N 427.593 2.434 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)cc2)nc1 538326003 IEHKQYVUHQILAD-LAUBAEHRSA-N 427.482 2.212 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1nc(-c2cccnc2)no1 538352998 WMYSYZNOAGGFAL-HXUWFJFHSA-N 449.490 2.112 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 573392064 JRAMVUZNJMJSBF-LJQANCHMSA-N 447.605 2.472 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(OC)n2)cn1 726887976 LHEOYRFFYPPMIL-MRXNPFEDSA-N 441.513 2.294 30 10 IEEE Cn1cc(/C=C\C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O 727750729 HIZCGXMZESSCBF-DGDFFNOKSA-N 430.464 2.057 30 10 IEEE COCCOc1cn(-c2ccccc2)nc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 729885646 FJIKLUYROIMOID-UHFFFAOYSA-N 440.481 2.029 30 10 IEEE Cc1ccccc1-n1c(N2CCOCC2)nn(CN2CCN(C3CC3)[C@H](C#N)C2)c1=S 732666092 HIKCYJOUCWEFSC-LJQANCHMSA-N 439.589 2.178 30 10 IEEE COC(=O)[C@@H](OC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O)c1ccc(C#N)cc1 757836698 USBLTUYZTNTFIR-ZDAGVSNUSA-N 427.457 2.062 30 10 IEEE COc1ccc(CCn2c(=C(C#N)C#N)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)cc1 758051125 LRAFOYNQBWVUFZ-UHFFFAOYSA-N 446.488 2.404 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C)n1 764284107 XIOWSBQPEDOAQQ-INIZCTEOSA-N 425.493 2.173 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)cc(Br)c2)c1=O 772329930 LZXKAUAVXKADCG-UHFFFAOYSA-N 441.350 2.486 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 780977926 LDWOGUTUKHIPIW-QGZVFWFLSA-N 440.522 2.399 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)c1 784123673 FPNYVIJBWJWFFA-QUCCMNQESA-N 442.585 2.094 30 10 IEEE N#CC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CCCC1 786754735 TVMKEJFVWPGSJF-UHFFFAOYSA-N 442.335 2.036 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)O[C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 786811316 XWRAXBKVNGRDIA-HXUWFJFHSA-N 435.480 2.282 30 10 IEEE C=CC[C@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790611970 JLNLPADLFGBHFW-HSZRJFAPSA-N 436.597 2.391 30 10 IEEE C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCCN(C)C)S/C1=N\CCc1ccccn1 795185652 YHUROPXWVRNIPZ-PIVIWZHNSA-N 431.606 2.181 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1 798111253 WMPJNTBHYDENLN-OWSLCNJRSA-N 433.553 2.226 30 10 IEEE C[C@@H](C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1)n1cnc(C#N)n1 798825969 NNSIVCPKYCQYEB-ZDUSSCGKSA-N 445.888 2.448 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(CC#C)CCCN2C(=O)OC(C)(C)C)n1 809800278 NCVRBZVFQCJZDJ-HSZRJFAPSA-N 428.533 2.284 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)n1 856708807 OVHHSDFALHBCQS-JOCHJYFZSA-N 425.489 2.209 30 10 IEEE Cc1c(-c2noc(C3CN(c4ccc(Br)cc4C#N)C3)n2)c(O)nc(=O)n1C 904897097 DMUIPTIXQJISRY-UHFFFAOYSA-N 443.261 2.082 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)c1 919705723 VGTBRCIUTYPDJE-UHFFFAOYSA-N 425.510 2.045 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(N)=O)[C@H](C)c2ccc(CCC)cc2)cc1 920251382 KJULRAPSEYRCMK-QGZVFWFLSA-N 441.553 2.239 30 10 IEEE CC(=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccc(N)cc1 1084229146 XZHUWCWLSCQWHB-UHFFFAOYSA-N 439.501 2.360 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1133717644 SDNOWPKMQRWIHR-UHFFFAOYSA-N 437.562 2.483 30 10 IEEE NS(=O)(=O)c1ccc(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(F)c1 1136007957 MRPJISFSGGCNLF-UHFFFAOYSA-N 429.395 2.072 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CC2)nc1 1148315412 XZMCMSWDLIIKHC-MRXNPFEDSA-N 430.555 2.261 30 10 IEEE C=CC[C@]1(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1158504231 XPMQKTPEVSKXIT-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1161580884 VSSISXPIPWZKFK-GOSISDBHSA-N 429.542 2.088 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)c1 1195397988 PYILCVWPVUMIQP-FQEVSTJZSA-N 448.566 2.153 30 10 IEEE Cc1oc(NC(=O)CN2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)c(C#N)c1C 1195851135 HNDFDCMVSPJPRM-INIZCTEOSA-N 444.532 2.361 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1286314477 DLFKIWZHOQVPMW-NRFANRHFSA-N 444.536 2.441 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286508085 IFOXCXHBVWNKQM-FQEVSTJZSA-N 438.601 2.376 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286603742 JMSBIKFZFSBMEM-HNNXBMFYSA-N 425.942 2.210 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)N(C)C)CC1 1286664030 SEWQAQDECRZXFR-ROUUACIJSA-N 433.578 2.479 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1286686603 BJGQSEITRIDHAT-IAGOWNOFSA-N 443.639 2.299 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286789356 FJRYSKFRTXRGSA-IBGZPJMESA-N 430.597 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(OC)cc2)C1 1286807540 DGCCAJYCIFCHST-NSISKUIASA-N 441.532 2.487 30 10 IEEE Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290752003 HDGYYYWPKZGPTF-TUVHQWQRSA-N 428.518 2.141 30 10 IEEE C[C@@H](CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)CN1CCOCC1 1293931680 ABBUWDNZYCOLIU-LAUBAEHRSA-N 442.560 2.477 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300361875 IYTIPFHMTZPLMJ-UYAOXDASSA-N 428.581 2.112 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300512336 WIVHYIVAQUQPGG-MRXNPFEDSA-N 448.495 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1ccc(OCC(F)(F)F)nc1 1300529147 GMQDSGYBEAHQMQ-UHFFFAOYSA-N 441.417 2.387 30 10 IEEE COc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)OC 1300558118 UFFWVQFLMKXIAS-HNNXBMFYSA-N 434.500 2.447 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(CC)C1 1300658101 WWNAWWQPFZVMGE-OAHLLOKOSA-N 435.370 2.464 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCc2nccn2C1 1300673190 HEZRJIQCKOORHU-QGZVFWFLSA-N 425.562 2.179 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(CC)nn(C)c2CC)CC1 1300693441 YAFOHRBMOLWQDZ-UHFFFAOYSA-N 442.571 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCOC)CC1 1300731345 PFJJIRJOZVRACP-UHFFFAOYSA-N 425.533 2.168 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301082429 HXANNSGYHRIXFD-RTBURBONSA-N 444.511 2.066 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1301296357 GEQLIGGMRICGCS-MAUKXSAKSA-N 437.541 2.176 30 10 IEEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F)C1CC1 1301323730 UKSVOYJFUWXUJU-UHFFFAOYSA-N 429.431 2.130 30 10 IEEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1301330351 LAZAJPNHGLMAAP-HXUWFJFHSA-N 436.965 2.227 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OC)C1 1301531064 CGLZEBYGFQAFFZ-MSOLQXFVSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 1301568726 JKDRHGUYEUNNGN-RBUKOAKNSA-N 445.589 2.123 30 10 IEEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301620816 LSJWKIDFANPHDI-KRWDZBQOSA-N 428.562 2.299 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1302211414 ILMHIOCDLAJUPB-NHCUHLMSSA-N 441.532 2.254 30 10 IEEE Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCS1(=O)=O 1304530492 HOELVIMPCYWJTE-UHFFFAOYSA-N 428.562 2.419 30 10 IEEE CCN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F 1313816123 SNOZOLBQIJKZRV-HOTGVXAUSA-N 430.475 2.175 30 10 IEEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 1316032471 GDSXGMLQIAQKEC-OAQYLSRUSA-N 446.577 2.362 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1316449266 HOOHGXBCVUELON-OAHLLOKOSA-N 426.550 2.483 30 10 IEEE C#CCCOc1ccc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1 1354064001 SCSDIRLFBQORFZ-UHFFFAOYSA-N 429.517 2.336 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1358930134 OXLNXNDPUPJKMR-PKOBYXMFSA-N 432.521 2.311 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1358930170 PPJMRHKMDQDMGM-QFBILLFUSA-N 449.552 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCCCCC1 1358997242 KVUFUFHNTHGRTP-UHFFFAOYSA-N 435.576 2.395 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1359009285 LYSZUJSETBCHDK-RTBURBONSA-N 445.589 2.460 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC(C)C)CC1 1359100311 ZTTSXHVAPLXMPV-HKBOAZHASA-N 433.597 2.310 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CS(C)(=O)=O)cc1 1359245059 APATYYWXXZWAKP-OALUTQOASA-N 434.562 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359330586 WZXCTCZXBWCMRY-QZTJIDSGSA-N 445.589 2.227 30 10 IEEE Cn1nc(C2CCOCC2)cc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1438216739 LIPXMXKZKXINSL-KRWDZBQOSA-N 436.472 2.029 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)OCC 1438405809 YGOBALBIPYOIJI-NVXWUHKLSA-N 428.938 2.278 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1441250764 XEYNVQYYEUYSDW-LSDHHAIUSA-N 427.480 2.493 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1449336335 NQAMXYHLYHAHHJ-OLZOCXBDSA-N 445.504 2.175 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC(C)(C)NC(=O)OCc1ccccc1 1457947515 DWQTVHCALUSQMC-QGZVFWFLSA-N 436.516 2.480 30 10 IEEE C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1460291682 YVXOXJZRLVKJHP-RBUKOAKNSA-N 433.574 2.078 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN([S@@](C)(=N)=O)CC2)n(-c2cccc(F)c2)c1C 1460742877 LUKFESXSGKQDOH-SSEXGKCCSA-N 432.525 2.253 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1466017914 JCBBHAAVOTVFKS-ICSRJNTNSA-N 444.532 2.388 30 10 IEEE C#C[C@H](NC(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1470662225 CPKXHPSPBMKEFO-IRXDYDNUSA-N 443.363 2.359 30 10 IEEE COC(=O)[C@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@H](C(=O)OC)C1 1475127967 GXSKFBHEWCHXND-ZFWWWQNUSA-N 436.511 2.197 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@@H]1C 1497055169 ACJLSSBOQUCRPU-RLFYNMQTSA-N 437.552 2.154 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCC2)CC1 1503377136 MCMBTOMCQRPZDI-FQEVSTJZSA-N 433.560 2.383 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1507611910 SNPVQEMAPGHZRA-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccn(CC)c1=O 1507622203 CDVQEENLWCLBFA-HDICACEKSA-N 440.548 2.348 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1507656309 VDAVYPRPWZBSTR-NMEJYPJZSA-N 445.589 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2CC)CC1 1507738826 ZVDYKQWXIAOVMM-HXUWFJFHSA-N 435.576 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(F)(F)Br)CC1 1507742284 FYHPELJTPURVOB-UHFFFAOYSA-N 432.313 2.430 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1508144681 RTSRQZSFTNRDCK-KRWDZBQOSA-N 435.569 2.139 30 10 IEEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1508718683 PRYNQUKZJWCUII-GOSISDBHSA-N 443.573 2.196 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C1CCCCC1 1517312400 OZTBIIKAWSJUPA-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE Cn1cc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c(I)n1 1522168783 WVVHDKZVNHTVSZ-UHFFFAOYSA-N 446.252 2.227 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1531579324 ILJZOZWNVJDGHT-LBPRGKRZSA-N 449.301 2.237 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)s1 1536695391 VBQUBAGMDDZLIA-ZDUSSCGKSA-N 434.499 2.245 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 1538932966 GWDNWJVFMQKPRZ-HNNXBMFYSA-N 432.571 2.322 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccn(Cc2ccccc2)n1 1539145894 SYOMSUSAIPFCRJ-UHFFFAOYSA-N 426.484 2.288 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCOCC1 1539346457 DPKKZTZGGVFLRC-UHFFFAOYSA-N 430.578 2.433 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1539516965 GQEHMWWUWQJIFD-HXUWFJFHSA-N 441.601 2.479 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1539526384 IRAJZLRVBLMOKF-MRXNPFEDSA-N 430.530 2.231 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 1539617291 VILGANDDOXOFDW-NTDBWNAOSA-N 449.577 2.456 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1539965991 CXLHNNAAFOFMBK-OPYAIIAOSA-N 438.594 2.311 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 1540861117 CDGUNSXYKOQUSE-OAQYLSRUSA-N 431.562 2.449 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCOCC2)C1 1540887181 RHVAIKKYFYOBES-OAQYLSRUSA-N 427.549 2.457 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CCOC)C1 1540892574 OEXVCDYEZGSDJK-DLBZAZTESA-N 426.583 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2c(CC)nn(C)c2OC)C1 1540893354 BDIPYABGQZIVQA-GOSISDBHSA-N 437.548 2.398 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1541115704 DGKCBZRTLRQCEP-AEFFLSMTSA-N 448.568 2.404 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2c2cnn(C)c2)n1 1543006119 GOCBLRXOJJPART-IEBWSBKVSA-N 436.568 2.281 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1547899537 CZNGIVXZLRMRBV-WTIAFYNJSA-N 444.580 2.319 30 10 IEEE CCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1548264960 GXOCVTZMSRAHST-SFHVURJKSA-N 426.521 2.175 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1 1554128907 QLOUKIUQTODALI-UHFFFAOYSA-N 440.548 2.099 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)Cc2ccc(OC)c(OC)c2)c1 1556853118 VPTJJQKOEHHWDL-QHCPKHFHSA-N 445.537 2.224 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(N2CCC2)CC1 1558103684 SGMDQQICFPFDEN-GOSISDBHSA-N 432.590 2.227 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@H](C)O)cc2n1 1558514118 NEESTAVFLVFBMJ-MGPUTAFESA-N 428.514 2.197 30 10 IEEE N#C[C@@H]1CN(C(=O)NCC2CCN(C3CCOCC3)CC2)CCN1Cc1ccccc1 1565051238 CFSCYTHDXYIVGV-HSZRJFAPSA-N 425.577 2.297 30 10 IEEE COc1cccc([C@]2(C)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 1584630305 NWJYKQKYPVCBOL-OPAMFIHVSA-N 427.526 2.424 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](CO)[C@@H](O)C2CCCCC2)CC1 1586429765 BVXBNPMNMCNKEP-QUCCMNQESA-N 442.516 2.441 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1587705446 DNSFSPLTQLKAAC-INIZCTEOSA-N 431.562 2.263 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1587915820 STSMNVYASNQTCT-DEOSSOPVSA-N 439.560 2.273 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1588099795 ZDNIDUPKQGFMJR-YADARESESA-N 436.512 2.373 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCCC2)CC1 1588762574 LJQKSIJLVMSPDR-UHFFFAOYSA-N 439.560 2.413 30 10 IEEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1 1589116685 KNZKPLOLDVWWES-UHFFFAOYSA-N 427.574 2.457 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1nnc2n1CCC2 1595302930 HTWNCHCKWHAUAD-UHFFFAOYSA-N 429.475 2.372 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2CCCO2)CC1 1595811977 IYUBDNISCGVHKJ-FQEVSTJZSA-N 445.589 2.260 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1596607098 NQBZDDOLQNTPEI-QGZVFWFLSA-N 433.505 2.478 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1596788937 DSUINNZBMDTAEA-DLBZAZTESA-N 444.511 2.402 30 10 IEEE O=C([C@@H]1CCCN(C(=O)Cc2ccccc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648914 NSHYYQRPYDCYJV-LJQANCHMSA-N 449.507 2.372 30 10 IEEE CC[C@H](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613139865 QXXUXKVWHISNMD-YZVOILCLSA-N 426.521 2.378 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1614327892 ABYYNUUEDNXNMI-RXVVDRJESA-N 431.562 2.381 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(F)c1 1616922533 CWGQYPVETCIINP-MRXNPFEDSA-N 436.495 2.379 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cnc2ccccc21 1619990128 OGRDRIMJQFCVLA-HRAATJIYSA-N 427.484 2.494 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCOCC(F)F)cc1 1620351850 JLVAHZKSYGACGS-NRFANRHFSA-N 449.458 2.006 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 1622312249 CUICUAPUTGUISU-UHFFFAOYSA-N 441.528 2.327 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1625187883 ASPIQRPUGBUXSY-UHFFFAOYSA-N 436.553 2.280 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c([N+](=O)[O-])c1 1628895545 ZZIYQCHJQHXSMB-IBGZPJMESA-N 428.470 2.021 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1629027542 AZQQGXFGUKGTAM-HNNXBMFYSA-N 433.509 2.002 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CCOCC2)c1 1629646723 HMVPOTNGUGYYSK-CMKODMSKSA-N 428.558 2.406 30 10 IEEE C[C@H](CC(=O)NC[C@@H]1CSc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 1631006802 QLJFRZHRIRJPAB-ZIAGYGMSSA-N 431.539 2.173 30 10 IEEE C#CCN(CC(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1)C(=O)OC(C)(C)C 1633011381 BFEAORMUKZYMIZ-UHFFFAOYSA-N 425.526 2.047 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H](C#N)C3CCCCC3)CS(=O)(=O)[C@@H]2C1 1634685575 HTGYPQUEXRKIAL-BRSBDYLESA-N 439.578 2.245 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3cccnc3N3CCC[C@H]3C2)ccc1F 1636089762 XQOGJNLQPDXCLK-KRWDZBQOSA-N 430.505 2.310 30 10 IEEE C#CC[C@@H](NC(=O)c1cccc(Br)c1I)C(=O)OC 1642415604 VXTOPDXURAOLNU-SNVBAGLBSA-N 436.043 2.348 30 10 IEEE C[C@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1643853926 GBZKSKBBPPKRBE-OAHLLOKOSA-N 437.562 2.380 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c(C2CCC2)cnn1C 1645216058 PHCSZIWOINQVCZ-SFHVURJKSA-N 443.573 2.457 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)c1 1645670242 ZXXRTOBXXFWMTR-OAQYLSRUSA-N 445.562 2.486 30 10 IEEE CCOC(=O)CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1O 1653970415 ZXWYFDZIPLOFDT-UHFFFAOYSA-N 433.468 2.453 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1658320636 MFYILKPQPAIJGK-ZTFGCOKTSA-N 436.534 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3ccc(OCC#N)cc3)CC2)CC1 1659503015 RZUWQXCVRXPYDG-UHFFFAOYSA-N 443.548 2.379 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1 1672952013 PPPKXFWUQWGSRW-KRWDZBQOSA-N 427.505 2.207 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCS(C)(=O)=O 1689831985 VFDMPQIYJPXREK-QGZVFWFLSA-N 441.557 2.321 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1689980438 RRLFDLBJNNTQAZ-IBGZPJMESA-N 444.605 2.318 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C(C)C)N1CCOCC1 1690009928 OWWNQZGQGLGVSM-NRFANRHFSA-N 449.555 2.146 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(C)(C)O)c2)CC1 1690112227 RSVNUXKULKKQGA-IBGZPJMESA-N 441.576 2.033 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1690120487 WLWWGHUMVIUWIH-UHFFFAOYSA-N 436.516 2.103 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690244455 XNLDTNKHBOHNEH-HXQKEGBBSA-N 444.507 2.426 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690342132 BAVITNSSZKHJKC-SFHVURJKSA-N 425.924 2.176 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1690559282 CDYJEDDRQMHMDZ-LJQANCHMSA-N 447.543 2.339 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CC=CCO1 1692537835 DCSCLFJPNJMLBZ-VQTJNVASSA-N 436.516 2.211 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCOCC2)CCOC1 1692583155 NJZWQSIQPBKEEV-PKTZIBPZSA-N 446.596 2.171 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1695591449 WMVQKHKQJXOCOU-HNNXBMFYSA-N 429.525 2.393 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCOC1 1696647424 QPLUSQILNFHGPA-QGZVFWFLSA-N 447.561 2.167 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697203092 OSRUXOZYMPPIES-AQMPTVPWSA-N 428.537 2.467 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1705492222 NKNJIXMSBIXGQH-BXTJHSDWSA-N 434.587 2.188 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1705542297 CHOIQIPXACLJJM-CQSZACIVSA-N 425.942 2.032 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(F)cc1)N(C)C 1705587923 OKRPXKVVHRALHE-OAQYLSRUSA-N 436.535 2.419 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@@H]1C 1705607047 OKDKUYRKUGUXKT-JTSKRJEESA-N 445.589 2.206 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCC(=O)N(C)C 1705620899 KHZIZLKFPCJXFT-UHFFFAOYSA-N 440.523 2.048 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCC[C@H]2C)n1 1705631768 PPNIIGYPUYUKSY-JPYJTQIMSA-N 437.548 2.307 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2cc(C)no2)n1 1705631771 PPOYSFYKVZDYMW-UHFFFAOYSA-N 432.488 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2COCCC)CC1 1705637898 QGHIRRSEDFUQOH-UHFFFAOYSA-N 433.560 2.409 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CC(F)(F)CO2)CC1 1705650068 KRDKDBLSKJTAPH-GOSISDBHSA-N 435.519 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705701272 FVJCMVARSDSGHD-DXIQSLLYSA-N 444.624 2.247 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC(=O)NC)CC1 1705767176 DGCVQNVWKDCEJK-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CCn1c(N2CCN(CCOc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1705893280 AONQUJNYWWPFTJ-QHCPKHFHSA-N 427.549 2.317 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(CS(C)(=O)=O)CC2)C1 1705923065 YNKJWBKJYXBEEC-KRWDZBQOSA-N 431.562 2.255 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1706585653 IEUWPDXOOUGKCE-UHFFFAOYSA-N 435.536 2.319 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1709763024 YQHZVBXPBSFGHW-IBGZPJMESA-N 444.605 2.420 30 10 IEEE CCO[C@]1(c2nnc(N(CCO)Cc3ccccc3)n2Cc2ccc(C#N)o2)CCOC1 1710440784 RVMXPVXEMVELNJ-HSZRJFAPSA-N 437.500 2.442 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1710824179 HNRPCVNWXLPBKJ-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1710835088 VSAVIBNOSVUCPI-JTSKRJEESA-N 427.505 2.149 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1711205915 NGRIJMMOXAWDRG-SFHVURJKSA-N 449.602 2.495 30 10 IEEE COCC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712326737 GGWQLCWPNDQZSI-QHCPKHFHSA-N 441.580 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1722274661 VKJNGHIZLLLDQY-GOSISDBHSA-N 434.544 2.143 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](OCCOC)C1 1722333191 HZJUGPLOLCTAET-FQEVSTJZSA-N 439.564 2.107 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722368746 SNVHOEHKTUONKP-LJQANCHMSA-N 445.589 2.338 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1722404437 BNNFTCQWTIMQOM-QHCPKHFHSA-N 425.533 2.188 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2nc(C(F)(F)F)cs2)CC1 1722443750 NIVIVVGDTSLHSK-UHFFFAOYSA-N 426.468 2.270 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCCC2=O)CC1 1722453218 PNYLWMYNVUWSFG-UHFFFAOYSA-N 446.621 2.154 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC(C)(C)C1 1722453693 CEALKJIIRUKTPY-UHFFFAOYSA-N 434.587 2.330 30 10 IEEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722567899 QDSMPBYKVPJKCI-GOSISDBHSA-N 433.553 2.446 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(N)=O)CC1 1722602474 CFFWDJMIIXIAKK-UHFFFAOYSA-N 445.593 2.296 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1722603478 JRHVXPYVVOTOAD-QZTJIDSGSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 1722703497 AOLLUTJYWKJVKH-INIZCTEOSA-N 448.568 2.268 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@@]2(CCOC2)O1 1726665825 ACPAEESBQQBHLC-HTAPYJJXSA-N 443.573 2.317 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@@H](C)C1 1729066360 BOTDYHZBLRSCSS-LJQANCHMSA-N 438.580 2.140 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1729304020 AUMUALLAFWMXKN-UHFFFAOYSA-N 432.532 2.413 30 10 IEEE COC[C@H](F)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730492501 JUUOEEPVQIJHGL-MJGOQNOKSA-N 428.512 2.039 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CN(C)C 1740610468 BKMSIINVBMAUJK-KRWDZBQOSA-N 434.585 2.244 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1740625674 HJUGAWJFKZRAEI-SFHVURJKSA-N 434.537 2.299 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740626700 CCQZIWNMXOOVPI-BRWVUGGUSA-N 438.619 2.288 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccsc2)CC1 1740702190 JIYXDGYADMKAHU-INIZCTEOSA-N 431.562 2.078 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1740772018 FZFFFXVVYZQYNI-GOSISDBHSA-N 431.562 2.225 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1740941933 XAJPDFMHEADZCJ-HNNXBMFYSA-N 440.516 2.221 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1741571490 FJJLHGRMUXLWGZ-UGKGYDQZSA-N 426.569 2.165 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC 1748637615 DFRGPTKBTAKFQC-AWEZNQCLSA-N 430.940 2.092 30 10 IEEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1748724682 XUXONUSMMYDFQS-UHFFFAOYSA-N 445.589 2.359 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1748736698 REBRSFAHWVRSMK-GOSISDBHSA-N 441.532 2.084 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1748816477 ZXZIBZDNCZSDMZ-IRXDYDNUSA-N 440.660 2.411 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1749016917 PTKAIKQBMGPUGH-JTHBVZDNSA-N 448.571 2.211 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC[C@H]1C 1749220097 AZVKYWFBYBOTPX-APWZRJJASA-N 447.561 2.025 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749226425 PXUNTCPTGGTDFF-RTBURBONSA-N 427.553 2.477 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749230179 UNNACXRDHFXIBB-SFHVURJKSA-N 441.598 2.021 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)N(C)CC)CC1 1749288356 SKMBFMZHSXEYPS-UHFFFAOYSA-N 445.593 2.181 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC1CCOCC1 1749482800 PNYKHBJAPUJTFQ-UHFFFAOYSA-N 448.593 2.446 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1749560545 QCHXTAYKJIRPDQ-INIZCTEOSA-N 431.562 2.188 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1749597160 AEKNMOBSCJRWSY-GOEBONIOSA-N 430.578 2.498 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749627427 NGFBRTOJBLFDCF-INIZCTEOSA-N 439.582 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(C)C)C1 1749730673 MOPPURZJTOXZES-OAHLLOKOSA-N 435.550 2.089 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCC[C@@H]21 1749738762 WYFKXBMMAWUSPH-CVEARBPZSA-N 449.602 2.249 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCCOCC(F)F)cc1 1750381947 LRXCWCIMQDGLIT-IRXDYDNUSA-N 430.459 2.203 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750468959 UGDKBOAJRGHOGV-IVLCKQPMSA-N 442.564 2.398 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760129749 XPUGMAVQBUYWCK-IBGZPJMESA-N 428.581 2.450 30 10 IEEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760137118 OUMMTDFWLHXRMW-HXUWFJFHSA-N 449.621 2.370 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1760181468 VVPWQCQEPSAROM-KRWDZBQOSA-N 426.498 2.222 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760193087 SQDFXAFKYJSQRS-MRXNPFEDSA-N 432.521 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760208649 HOAJJNBTBIFAPK-RDPSFJRHSA-N 441.576 2.388 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760368882 PLUHONGCEBNFTL-ZDUSSCGKSA-N 440.913 2.076 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1760527955 ODCHRINXWJOUSZ-INIZCTEOSA-N 429.521 2.172 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760564291 UVEQCYLPSIBPSQ-IBGZPJMESA-N 442.637 2.259 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1766427765 CSOXSOLSGFOYJT-ICSRJNTNSA-N 440.548 2.389 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCOCC(F)F)cn1 1767461424 VSKKAJGSRMGOGH-UHFFFAOYSA-N 442.474 2.159 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1770138509 PEPAHZHSTPAAFS-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE COc1ccc(COCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1770246237 BWCBGLSJFHCQMV-FUHWJXTLSA-N 447.561 2.001 30 10 IEEE CCCCN(C(=O)[C@H](C(C)C)N1CCS(=O)(=O)CC1)c1nc(C)c(C(C)=O)cc1C#N 1851783271 WAQNGPAROBVHTL-FQEVSTJZSA-N 448.589 2.352 30 10 IEEE N#CCCn1nc2c(c1NC(=O)C1CCN(S(=O)(=O)c3ccccc3)CC1)CCC2 1851826894 RMMJVXSMTDYBPO-UHFFFAOYSA-N 427.530 2.325 30 10 IEEE Cn1nncc1CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)c1cccc(C#N)c1 1853538412 IKBBSYHAQABOPZ-HNNXBMFYSA-N 444.421 2.246 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782475 JDFVIOWEPJPILU-ICSRJNTNSA-N 432.590 2.149 30 10 IEEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870149239 IWLKNLZOZNRBIB-KRWDZBQOSA-N 429.484 2.192 30 10 IEEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870497640 QNZMHWHOOWUVJI-UHFFFAOYSA-N 445.560 2.155 30 10 IEEE C=CCNC(=O)c1cc2c(N3CCN(c4ccccn4)CC3)ncnc2n1CCCOC 1873586827 NYKOQZRSPCQZIU-UHFFFAOYSA-N 435.532 2.105 30 10 IEEE C=CCOc1ccccc1OCC(=O)NC1=C(c2nc(C)cs2)C(=O)CN1CCOC 1873710740 SCKFHSATLKRWLH-UHFFFAOYSA-N 443.525 2.411 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874340742 SXRJHYVMLYUOAQ-BBJIBYMTSA-N 432.506 2.267 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874350394 KKNOZJXQOIKWPF-SRZZPIQSSA-N 426.458 2.245 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Cl)cnc3Cl)CC2)CC1 1890975198 NGJRLHGVDZADDQ-UHFFFAOYSA-N 425.360 2.260 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1908210357 ULJAIZWZYFJAGZ-GVDBMIGSSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOCC1 1963651335 ITAOUUXXPVXQTK-IBGZPJMESA-N 428.533 2.297 30 10 IEEE CSC1(C#N)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108230664 JYEKHSKFQCNJJK-GOSISDBHSA-N 439.534 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669385 CUMOIDVQPIAKJS-HZPDHXFCSA-N 447.341 2.080 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)O1 2141676497 AGECOVBZGPGNEJ-JKSUJKDBSA-N 447.341 2.392 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@H](N3CCN(Cc4ccccc4)CC3)C2)OC1(C)C 2172712048 SNACBBNXWKKNBV-NRFANRHFSA-N 449.408 2.172 30 10 IEEE N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1 2174779352 ICMZGUXYDAUEJI-GOSISDBHSA-N 433.461 2.013 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)s[nH]1 2247819881 KPMULDZRHCQVKG-NEPJUHHUSA-N 438.359 2.448 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247835381 KDHXPXRVMFLTCY-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255596629 NFYJHFOYJQYMFO-NRFANRHFSA-N 434.346 2.132 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255615246 JPDDLHHPTBONFN-UONOGXRCSA-N 434.346 2.084 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255650909 RZMIZYTZFLDJMX-CQSZACIVSA-N 436.362 2.095 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255654265 USRPVYXPKYVMLI-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CO[C@](C)(CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2255832734 QMHAQWBRDOCWSA-JOCHJYFZSA-N 429.326 2.061 30 10 IEEE CC1(C)OB(c2cc(C(=O)N(CCCO)Cc3ccccc3)c(O)cc2O)OC1(C)C 2256016234 FIOIKCOUSCCOCA-UHFFFAOYSA-N 427.306 2.422 30 10 IEEE COC[C@@H](CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2256676836 RDOZCPFCBKNHET-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1 2267228850 PDNHDSAUALNCKX-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267504512 TWVHITYSOYKRRH-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(Cc2ccccc2)C1 2267546720 AQTSPXRXYHBBCV-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1 2267599626 SEEWVLQANSZUCN-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)OC1(C)C 2267879827 LXKLJCLHGHAVMI-XMMPIXPASA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268655898 QWDLANLQDQTPOR-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2271961892 SFVMFTARGCUJFZ-LSDHHAIUSA-N 448.373 2.235 30 10 IEEE CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1 2297549052 JLZAERUVCODZQO-SWGLQFOASA-N 446.540 2.469 30 10 IEEE C[C@@H](C#CC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C 2302382158 CNELKHYPPLMDCX-KRWDZBQOSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2315694377 YKQCVBXAWLOSRF-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322311440 SXRFNXRLZPZVTP-NRFANRHFSA-N 437.321 2.304 30 10 IEEE C#CCCN(CC(=O)O)S(=O)(=O)c1cc(Br)sc1Br 2336449659 REJWVUMHESXYQH-UHFFFAOYSA-N 431.127 2.372 30 10 IEEE CCN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)S1(=O)=O 2377274411 XELQQMUXHJSGQX-UHFFFAOYSA-N 445.188 2.131 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCSc3ccccc32)cc1 28665826 XFBRVCQWFJDLRN-OAHLLOKOSA-N 444.534 2.282 30 10 IEEE C=CCNC(=O)N1CCc2nc(N3CCN(C)CC3)nc(Oc3ccccc3OC)c2C1 34757367 MQRSRPNCAJEPJW-UHFFFAOYSA-N 438.532 2.283 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)cc(OC)c1 58994209 JSPBVERSHLZSKX-AWQFTUOYSA-N 444.473 2.410 30 10 IEEE CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409478380 QSWVFIMZFMKVCN-JLSDUUJJSA-N 430.933 2.062 30 10 IEEE CO[C@@](C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1F 428276532 LXQUUSUHABTAEL-OAQYLSRUSA-N 431.489 2.092 30 10 IEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(Cc2nc(C)no2)CC1 508816717 KMIQOAQARXJAFY-UHFFFAOYSA-N 431.504 2.330 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 509678523 FDTSIOMWUHIKRI-YUOVDFJASA-N 443.569 2.113 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(C)cc2C)c(=O)n1C[C@@H]1CCCO1 514492315 NPRYBIBCKSSGIJ-SFHVURJKSA-N 439.581 2.043 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1C[C@@H]1CCCO1 521775923 JRLWEYVNRAJDDX-HNNXBMFYSA-N 445.610 2.132 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 549285041 CJZFYUZEUFIOEZ-XLIONFOSSA-N 445.589 2.082 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCCC1 551199574 ACOFJXGBDCGPNG-OAQYLSRUSA-N 444.601 2.209 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)c(Cl)c1 560017723 GOCDYAPCMCYUJA-UHFFFAOYSA-N 440.935 2.475 30 10 IEEE C#CCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c2ccccc2c1=O 585170397 BWNWKXRRXLILSI-OAHLLOKOSA-N 434.883 2.352 30 10 IEEE COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1OC 586083275 BVJREOXITAUMDP-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)Nc2cccc([N+](=O)[O-])c2)sc2c1CCC2 586292064 IQYDDXQGJZAXGT-GDLZYMKVSA-N 432.483 2.343 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 593986725 RJJPWAQGDWOLEV-HNNXBMFYSA-N 432.492 2.485 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(COCCOc3ccccc3)c2)CCN1C1CC1 732706764 ODTUMTDLKDAFOW-QFIPXVFZSA-N 448.523 2.419 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 734293802 NXFBQBWOONMYHZ-UHFFFAOYSA-N 436.493 2.422 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(CCCN(C)c3ccccc3)c2=O)cn1 735067926 BJTUOXYDILZFIN-UHFFFAOYSA-N 432.553 2.069 30 10 IEEE COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C#N 746680813 PTYPTTRACNDRGC-UHFFFAOYSA-N 449.554 2.220 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc1C#N 747497729 JWIYBTGSJHBXDE-UHFFFAOYSA-N 429.498 2.145 30 10 IEEE NC(=NOCC(=O)Nc1ccnn1C1CCCC1)c1ccc(N2CCC(O)CC2)cc1 754292484 FWPJUAVPDZRZHJ-UHFFFAOYSA-N 426.521 2.235 30 10 IEEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1OC 771786774 RLPITHOSQQRJDJ-KRWDZBQOSA-N 446.481 2.124 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 777302852 SFEWPVJCIMASJH-UHFFFAOYSA-N 432.496 2.372 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1OC 777350265 HEMPWUQCQCOLLD-WUXMJOGZSA-N 430.482 2.138 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(Cc2cccs2)CC1 780174181 AOHTYHLVFCUQER-OAQYLSRUSA-N 435.546 2.197 30 10 IEEE CCOc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)c1 784125704 MHFSSDLGKYQDIY-GOSISDBHSA-N 442.545 2.367 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Br)cc2-n2cncn2)n1 790104637 HQKYNHYVZSXJAK-UHFFFAOYSA-N 443.305 2.148 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C2CC(N3CCCCC3)C2)C1=O 794448691 GPVCXJLDURCSLM-JCYILVPMSA-N 431.562 2.175 30 10 IEEE COc1cc(S(=O)(=O)NC(=O)c2cc(C#N)oc2C)c(OC)cc1Br 797960777 CHYIKDMPAKBETG-UHFFFAOYSA-N 429.248 2.358 30 10 IEEE CN1CCN(CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C 806786045 GMROZKWJPTULLC-UHFFFAOYSA-N 439.585 2.045 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)Nc2ccccc2)C1 916898364 AKGRQEKBNAVBPN-RDJZCZTQSA-N 430.486 2.040 30 10 IEEE CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1C#N 1136316063 QINMKXUABNRMJS-INIZCTEOSA-N 428.352 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)[C@@H](C#N)C1 1137214913 HHZZEQSEZYZRLJ-ZDUSSCGKSA-N 442.925 2.297 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c1 1148005719 BXOGMXDJBLRQRY-NHCUHLMSSA-N 439.537 2.069 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 1157127123 HYFYMBZUMZCDQX-CRAIPNDOSA-N 448.976 2.340 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)CC2)c(F)c1 1158888465 GFPSUGTWEJDKKX-OAHLLOKOSA-N 444.898 2.458 30 10 IEEE Cc1ccc(C[C@H](CO)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1160894883 GUJDSMNMRBMXLX-CTNGQTDRSA-N 434.496 2.100 30 10 IEEE Nc1nc(NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)nc(C(F)(F)C(F)(F)F)n1 1164131106 IMWLCGUYYAGVFT-RXMQYKEDSA-N 432.279 2.436 30 10 IEEE COc1ccc(CNC(=O)CCN2CCN(c3oc(C4CC4)nc3C#N)CC2)c(OC)c1 1167755439 QFWHRIOYNNUSKW-UHFFFAOYSA-N 439.516 2.269 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](Oc3ccnc(CN(C)CC)c3)C2)c1 1174844726 GXKOSWVMSMZPHA-JOCHJYFZSA-N 435.528 2.316 30 10 IEEE COc1cnc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1O 1180059836 KFOOQTQPXQRSOY-BBRMVZONSA-N 441.875 2.432 30 10 IEEE C=CCn1cc(CNC(=O)[C@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)nn1 1276651588 PFKZIQVEBDMHPL-QGZVFWFLSA-N 443.504 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1286293154 MJGYXTQVXHJTJN-HZPDHXFCSA-N 428.541 2.027 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCSC1 1286415499 CUZJXXVDNCPRAV-QFIPXVFZSA-N 426.542 2.197 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1286473098 IFOZSLCAWUPLPA-IBGZPJMESA-N 438.576 2.202 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1286516333 GDJRNBYNOWVWNH-VGOFRKELSA-N 445.589 2.440 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1286547692 POYOAHHWRHQCBN-ZWKOTPCHSA-N 435.569 2.233 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCSC1 1286569352 NGFNUAIFZMZTIR-HXUWFJFHSA-N 426.550 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccccc2C1 1286824754 IDSMLLWRFGDMNG-OALUTQOASA-N 432.546 2.123 30 10 IEEE C[C@H]1CN(Cc2cccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)CCO1 1291991424 UFEJFYGWLZZUIQ-INIZCTEOSA-N 445.516 2.274 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)cc1 1292821950 BIYONEQVBOVMBO-IBGZPJMESA-N 426.448 2.145 30 10 IEEE CC/C=C\Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1293667066 OJNYYNLSXMMNAO-UTCJRWHESA-N 443.515 2.485 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)OC 1293991127 GOVPDPKSVAWCLD-VQIMIIECSA-N 426.521 2.211 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)c1 1299936483 AMMKGHOPXGKXHY-UHFFFAOYSA-N 448.474 2.474 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1300273413 QKNVCWDZJKSWTE-CVEARBPZSA-N 446.577 2.111 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300626793 WTYHZFMAWVUARJ-HXUWFJFHSA-N 425.533 2.495 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(OC)CCCCC2)CC1 1300685237 JVCOBEWLSIXBLN-XMMPIXPASA-N 445.608 2.423 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300756553 PPOGFWYRWQWTHK-QGZVFWFLSA-N 425.518 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2oncc2C1 1301576848 HPTGDWODCQKWDH-UHFFFAOYSA-N 434.909 2.145 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1302164982 DIDKFORICSQLQQ-HKBQPEDESA-N 443.573 2.360 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 1302192657 OHEQDWGYPXYFOX-CALCHBBNSA-N 435.546 2.375 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)OC 1305782987 HNDRHTQIJZQUAA-KRWDZBQOSA-N 439.564 2.430 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n(-c2ccc(F)cc2)c1C 1307994535 PRHWWHZSZVKTTL-GOTSBHOMSA-N 437.475 2.028 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1311302659 NEHYOOYRRDJUDY-UHFFFAOYSA-N 441.532 2.490 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1cccc(Br)c1 1311829863 UMTFONYUFKYEQL-UHFFFAOYSA-N 438.322 2.165 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1312837578 FAAUZZLBNVXBHQ-GOSISDBHSA-N 442.545 2.038 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)c1 1315345496 HIESPJUJFZEWOW-AWEZNQCLSA-N 433.534 2.278 30 10 IEEE COc1cccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CC#N)c1 1315541930 HOXBFZUYAGJILS-KRWDZBQOSA-N 433.516 2.441 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316018992 WDJBFWSJXUBLEO-HXUWFJFHSA-N 435.532 2.332 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1316192359 YUESUWFKXHMNHC-UGKGYDQZSA-N 448.612 2.367 30 10 IEEE C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1316364422 AIEDOPXTAPXBHT-NOBJBPSSSA-N 429.546 2.175 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccncc2Cl)CCO1 1316541364 XMDZJAIKPSWVPA-AWEZNQCLSA-N 443.920 2.095 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1358960344 CETIBBFSJKSTON-GOSISDBHSA-N 439.516 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1358982037 HHGBSFOFQBKSBA-UHFFFAOYSA-N 439.541 2.015 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1Cn1cccn1 1358984057 GNODXOYGLWZXEO-GOTSBHOMSA-N 444.539 2.368 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)ccc1OC(F)F 1359023747 UUMOJECVAVNEKO-MRXNPFEDSA-N 433.459 2.273 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](CC(C)C)N(C)C)CC1 1359043325 QDSBMRRLJQHGSD-FQEVSTJZSA-N 439.608 2.226 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359053665 UUMSASBHPDYCIE-KRWDZBQOSA-N 433.603 2.077 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359062900 XPGNJRYFCSDKCK-IHPCNDPISA-N 444.605 2.171 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359106469 FJPUAFFVVSJIMZ-OAHLLOKOSA-N 432.491 2.082 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359292329 NBRQCCQPHMAOSD-GJZGRUSLSA-N 446.939 2.041 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359302174 YLBGBKPYLKOSDR-XJKSGUPXSA-N 441.429 2.466 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)C1 1359323079 HYRGGIQOSGZTNU-QGZVFWFLSA-N 434.537 2.367 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCO1 1360370321 JAOASLSSZHRHDV-OFNKIYASSA-N 441.532 2.252 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1360480879 IAVLWOAPRHRPEC-HKUYNNGSSA-N 430.578 2.083 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOc1ccccc1 1360693678 JVJFSJAQACXXNV-LAUBAEHRSA-N 446.577 2.487 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)CCS2(=O)=O 1439949222 JXZDSKTZPFKESP-DKTYTTGXSA-N 448.541 2.123 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CCOCC(F)(F)C(F)F)c(=O)c1C#N 1457779401 LITYEIYBPYUSRH-UHFFFAOYSA-N 428.180 2.477 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(C(=O)c4ccccc4O)CC3)CC2)c1 1470671201 DOONAEVAIMRVLW-UHFFFAOYSA-N 447.539 2.396 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1 1478094945 XXFOHHXPTJBJGE-RFUYNDQBSA-N 433.306 2.143 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](OC)c1ccccc1 1505082357 QDYCRVDPOZUZGQ-HAGHYFMRSA-N 427.505 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCOc1ccc(OC)cc1 1507658151 DQEKIHCYODXKOW-UHFFFAOYSA-N 435.528 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507740482 AKYIANOBARWQGS-XUVXKRRUSA-N 429.565 2.157 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507858612 GVFYKUMBWKNEIX-IBGZPJMESA-N 439.951 2.312 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1507915439 VGUAXVVOOZQWDF-CVEARBPZSA-N 435.598 2.218 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1COCCO1 1508037228 KSTSSPIXKUNFNT-HNNXBMFYSA-N 440.342 2.480 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)cc1 1508103898 HOFQAEWHKFNRDO-NRFANRHFSA-N 433.516 2.482 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1508139051 CTZRDPSUNUORCD-GJZGRUSLSA-N 442.545 2.429 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC(C)(C)O1 1510321180 BIMOEXLDZRBOTN-UHFFFAOYSA-N 438.532 2.069 30 10 IEEE Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N(C)Cc2cccc(C#N)c2)s1 1511029109 HDQJCFXGTZXZGZ-UHFFFAOYSA-N 430.559 2.443 30 10 IEEE CCOCc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1516446031 FVLVOHNPRXDCPT-NQIIRXRSSA-N 447.536 2.207 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@@H]1C 1516792687 CHAZUWGUDFCIPQ-HRAATJIYSA-N 431.562 2.239 30 10 IEEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCC(C#N)CC2)n1 1517426293 NGOXZPXLKYGQHB-UHFFFAOYSA-N 428.298 2.019 30 10 IEEE COCCN(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1519109435 BXWGZJDDPDZEPC-WMZOPIPTSA-N 444.605 2.438 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)c1 1534106638 XJFMFBLZTIAHPK-AXVPLRHPSA-N 442.497 2.228 30 10 IEEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539052394 DLVACCAMAVDUCX-VQIMIIECSA-N 429.496 2.312 30 10 IEEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1539386182 JELNJEMZYFDCNY-KRWDZBQOSA-N 427.844 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C)on2)CC1 1539482669 NXEHTLWFHNDMNU-UHFFFAOYSA-N 448.527 2.188 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1539557366 RUZSCKOQFSYTKR-PGRDOPGGSA-N 427.574 2.309 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)(F)F 1539617767 YPJBGNDFVLAALN-MJBXVCDLSA-N 439.504 2.258 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CCC)C(=O)C1 1539627691 KXQIYTRKJDNQFG-YLJYHZDGSA-N 425.537 2.165 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1540074490 ZBPSXNZJVASIQC-RBUKOAKNSA-N 446.573 2.327 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cnnn2)C1 1540894296 UPZFBPRICIWRST-GOSISDBHSA-N 428.928 2.380 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541606273 JKBURXZEYMTGBS-FQEVSTJZSA-N 438.580 2.106 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(Cl)nc1 1541926254 PAVUYEWHOYTYRZ-ZDUSSCGKSA-N 437.957 2.115 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2ccccc2F)n1 1543005929 CLFPLPCHYWLZSP-INIZCTEOSA-N 438.511 2.447 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1545894167 QRALMIGTPPOXBY-DHIUTWEWSA-N 441.580 2.337 30 10 IEEE CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1545998827 BXXLDMGKLAAOKX-IEBWSBKVSA-N 447.547 2.066 30 10 IEEE COCCC(=O)N1CCC2(CC1)C[C@H](C(N)=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548380044 MZVIOAMXFHXQKW-QGZVFWFLSA-N 438.450 2.286 30 10 IEEE C#CCn1cc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 1556465705 SXXSXBMNCQDFIK-HXUWFJFHSA-N 425.533 2.158 30 10 IEEE Cc1cc(=O)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nn1-c1ccccc1 1559032606 BSFLQZYZYRWXNA-UHFFFAOYSA-N 432.436 2.059 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1564957859 FLLADYSYKVWHKQ-KBPBESRZSA-N 433.983 2.399 30 10 IEEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 1564997848 POIFUBCIUHXMFB-OAQYLSRUSA-N 427.526 2.476 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1565224436 CVKMAQQVHIWRSN-LJQANCHMSA-N 442.564 2.345 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCCOCC(F)(F)C(F)F 1568605455 OOYDHFFMDFHBOH-YTWAJWBKSA-N 448.335 2.005 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1587497053 XILHYLXEOHJNLR-SBHAEUEKSA-N 433.430 2.206 30 10 IEEE N#CCCN(C(=O)CCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)c1ccccc1 1587552830 LVISIYUWSVBMOK-JOCHJYFZSA-N 435.528 2.126 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CC(F)(F)F 1587620568 HTEHNWBHPYWSIO-ZDUSSCGKSA-N 426.443 2.348 30 10 IEEE C#CCCCCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1587758992 LTZKUQSLTSLLBA-UHFFFAOYSA-N 440.592 2.289 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1587808750 WMPPEBIDCWKEFU-LJQANCHMSA-N 432.569 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CCOC)CC1 1588125000 YDBORTHBGNHJMR-UHFFFAOYSA-N 430.512 2.082 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588266972 YVZVURCAXAPALL-IAGOWNOFSA-N 449.552 2.298 30 10 IEEE CC(C)(C)O[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1597649389 UHJUKEKZOSJDIG-CRAIPNDOSA-N 447.561 2.477 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 1611072864 OAYKMWHNVYEUKU-UHFFFAOYSA-N 442.526 2.408 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1618436083 IBFPEVNFEOKFDG-JOCHJYFZSA-N 437.479 2.251 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1619613124 MOYCOGKBSPBSQR-OXQOHEQNSA-N 435.525 2.463 30 10 IEEE C[S@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1620180181 QWVHATXIBHOOGS-HKBQPEDESA-N 441.605 2.371 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCSCC(F)(F)F)CCN1C1CC1 1620356337 WYWVUVQQUHOODZ-UKRRQHHQSA-N 430.500 2.254 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1627800400 SIJIRNSSVHMIFK-MRXNPFEDSA-N 432.868 2.445 30 10 IEEE CSC[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1630762320 PCVFWOIDVPKSPT-GUDVDZBRSA-N 426.542 2.088 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1635273705 FMGPXKQGPTZEKE-HOTGVXAUSA-N 425.526 2.045 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1637518317 AXGKSXULMHJJOX-IRXDYDNUSA-N 441.594 2.244 30 10 IEEE C#CCOCCC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1639980143 AIFUVFXFZDHXPY-HOCLYGCPSA-N 430.398 2.237 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)cc1OC 1640595597 WQQMVYSZQXRKPE-INIZCTEOSA-N 444.488 2.442 30 10 IEEE C#CC[C@H](NC(=O)c1cccc(Br)c1I)C(=O)OC 1642415593 VXTOPDXURAOLNU-JTQLQIEISA-N 436.043 2.348 30 10 IEEE C#Cc1ccc(C(=O)N2CCN([C@](C)(CO)c3ccc(Br)cc3)CC2)cn1 1648335294 XALZLDWPLAPIHF-OAQYLSRUSA-N 428.330 2.491 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NCC2(C#N)CCOCC2)c1 1666413009 ICFXVVXTKCJGJY-UHFFFAOYSA-N 437.566 2.225 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)NCc1nn(C)cc1I 1667555737 ZFBLANQLYMABAP-UHFFFAOYSA-N 428.205 2.498 30 10 IEEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)cn1 1668787503 FLJLOZIIRKTUEI-UHFFFAOYSA-N 442.526 2.381 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(F)n3)CC2)cc1 1673398265 GPZFPKOGQRVFRT-UHFFFAOYSA-N 433.509 2.381 30 10 IEEE C=CCn1cc(CNC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)nn1 1673807803 NGRJJAQUWQULPU-AWEZNQCLSA-N 428.497 2.300 30 10 IEEE C=CCONC(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1681162032 OJVXACKKUAGTHT-RVDMUPIBSA-N 437.474 2.166 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1690026639 HDNLXJCGVXMWNJ-HXUWFJFHSA-N 440.569 2.372 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(NC(=O)OC)c2)CC1 1690128623 HITLEBOYOPWCKT-UHFFFAOYSA-N 445.527 2.246 30 10 IEEE C#CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1690185969 IXCQRHJMYKUXML-MRXNPFEDSA-N 434.591 2.287 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690227692 FFZHTGIVZPVNGI-HDMKZQKVSA-N 427.343 2.465 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1690265769 USDDEEHUVPVODC-VQIMIIECSA-N 427.640 2.020 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1690517697 LDMFAHGUSMQMHL-INIZCTEOSA-N 431.537 2.314 30 10 IEEE C=CCn1c(N2CCC(NC(=O)c3ccoc3C)CC2)nnc1[C@]1(OCC)CCOC1 1690653521 VMFACNQVGFWMNC-QFIPXVFZSA-N 429.521 2.416 30 10 IEEE CC(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1690980972 CWVNKJHERZTTHI-UHFFFAOYSA-N 436.564 2.130 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1691490473 MVMNUHOAEACBIS-ICSRJNTNSA-N 438.532 2.259 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1696897409 FAJFXFFTCLCGEX-LJQANCHMSA-N 440.548 2.362 30 10 IEEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1698221369 BMXACWAAEPFWHR-UHFFFAOYSA-N 447.561 2.142 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705485835 QAWDWBXRAYYHHC-SJORKVTESA-N 438.557 2.233 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563416 WYZBRDTZTMLILN-LJQANCHMSA-N 447.992 2.321 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOC2=O)cc1 1705630927 LWYQIWWACWTFBV-LJQANCHMSA-N 425.489 2.221 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccnc(SC)c2)CC1 1705632021 FSTOFDKAYFCSAP-UHFFFAOYSA-N 441.605 2.117 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC(C)C)C1 1705659298 QTMJXFQHSXBOFO-MRXNPFEDSA-N 447.561 2.002 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(F)F)CC1 1705680420 ANPALLXCGOSQSA-CYBMUJFWSA-N 438.317 2.298 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705707601 NZRZVXDUKFEGJA-RFWXGWTQSA-N 447.580 2.016 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705708618 FFNZOOLSFJKULG-POAQFYNOSA-N 445.568 2.370 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802354 ISUDEBFDASZFKB-WZONZLPQSA-N 446.596 2.477 30 10 IEEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C)C1CC1 1705850609 AINRDMKBGXHIFQ-UHFFFAOYSA-N 435.536 2.238 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1705912127 ABVLUDNYQZFONW-KRWDZBQOSA-N 446.502 2.229 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCO[C@H](C)C2)C1 1705924494 DFWKITGBBUZOHT-QHAWAJNXSA-N 433.597 2.454 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCO1 1705936347 PDPUYYRXQCVOGY-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1705938550 BVILYVFPLHBLHX-QKLQHJQFSA-N 426.583 2.154 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705945329 IEPFIKVQIXMYQH-SJORKVTESA-N 428.624 2.495 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1706750949 CGLVSSRRNZHEBI-BFYDXBDKSA-N 428.541 2.088 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1706941297 QHROJGOBMDMWOP-QRWLVFNGSA-N 427.440 2.210 30 10 IEEE CN(CCC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1711189279 CKQHPMVHLUFOTB-UHFFFAOYSA-N 436.520 2.158 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1712499418 QZLHOQDSENLDMM-JKSUJKDBSA-N 437.504 2.154 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1nnnn1CC1CC1 1722343645 NKDXJDHGVXDIJP-UHFFFAOYSA-N 427.310 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1C 1722396856 LQTUJZQMTZAOHN-VQTJNVASSA-N 440.569 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1 1722397840 VNCNWCALADPMIQ-DOTOQJQBSA-N 431.587 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@@H](F)C2)CC1 1722453294 QWHCPBYUDIOASO-FFGOWVMKSA-N 447.555 2.106 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722559018 HUXZDUCNTJGAHP-QGZVFWFLSA-N 428.512 2.056 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722694735 GGEKBGZXEXYLMQ-IAGOWNOFSA-N 442.564 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 1722723897 HZLWWBWWISCSFR-RTBURBONSA-N 445.589 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](C)C1 1722727609 JZCGLRFEWVAEEF-MDZRGWNJSA-N 448.545 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C2CCCCC2)nnc1[C@]1(OCC)CCOC1 1722731188 GFYONEXDUXRPOV-FQEVSTJZSA-N 426.583 2.300 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1722736722 FYQJUAXFMNSZGY-INIZCTEOSA-N 439.549 2.278 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC(C)(C)C2)CCOC1 1722864746 WMIXBRBDOKSCNG-XMSQKQJNSA-N 434.585 2.025 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723107927 RQAGTKUWTFJPKW-WMZHIEFXSA-N 439.564 2.172 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1726842113 QATZDBFMKSCEFA-RDTXWAMCSA-N 441.536 2.012 30 10 IEEE Cn1ccc(Nc2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1729583336 LSIARSHSOFTJNT-VXPUYCOJSA-N 436.451 2.012 30 10 IEEE CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1(C)C 1729604161 UGHNUIIQGOFJMG-FQEVSTJZSA-N 429.613 2.328 30 10 IEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)cn1 1730153402 BSGIZJNHTSLVMO-UHFFFAOYSA-N 431.500 2.360 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1730998004 GAYPSWDKZQMRKW-SFHVURJKSA-N 426.477 2.022 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ncccc1F 1740556458 CWJQDLZSGKYPJR-AWEZNQCLSA-N 428.493 2.341 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1C 1740655905 GGJSFSGAKJXXAZ-IBGZPJMESA-N 428.533 2.333 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(F)(F)F)CC1 1740690406 TZMRLLXCKMHBQO-UHFFFAOYSA-N 440.857 2.179 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCOC2)CC1 1740700741 ZYLBTAJDUNFBFZ-LJQANCHMSA-N 425.533 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCSC2)CC1 1740707361 ZEYRSGZCMBGTSP-LJQANCHMSA-N 438.601 2.373 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(N)=O)CC1 1740710638 AHMOHJBCXLGFGY-UHFFFAOYSA-N 428.518 2.312 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1740716744 YHQPXXZDYIAXRY-UXHICEINSA-N 438.601 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740761904 PUWPEFZZHUDDLI-AABGKKOBSA-N 425.533 2.499 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccco1 1740963693 UGLZVVOCZXJOJA-CQSZACIVSA-N 428.518 2.362 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)COC)CC2)cc1 1740965585 BWGLRHXSKZXXFS-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1740983136 BTFNEORGCJFGFF-RTWAWAEBSA-N 441.580 2.180 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1741128848 DOFQBTFWTHVQCI-AVRDEDQJSA-N 448.575 2.279 30 10 IEEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1741851343 WKXFLCRVRJSPOR-IEBWSBKVSA-N 441.555 2.460 30 10 IEEE CCN(CC)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1746122704 CXRZBCGGNAEYTN-XUTLUUPISA-N 429.569 2.239 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1748673281 FCEUXYNXJFZKMU-OKZBNKHCSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748818047 UXBCIPKUCKCHEH-QZTJIDSGSA-N 440.635 2.188 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1C 1748847860 XUPKWYCHVVVSRG-RBUKOAKNSA-N 426.542 2.029 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)CC1CC1 1748852346 BIGCAKOHWDYPTB-UHFFFAOYSA-N 435.553 2.248 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749031886 MHUDVYZZVFWQGT-UHFFFAOYSA-N 434.573 2.440 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1749050140 WZCQEQZJDQNDFC-IPMKNSEASA-N 433.622 2.084 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1749330387 AVTLVUWQMQQDOG-HSZRJFAPSA-N 427.549 2.388 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1749370669 OIXZJRKWSZXCNN-UHFFFAOYSA-N 425.581 2.124 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749373552 NVLGRNCCVOVKJR-IBGZPJMESA-N 441.580 2.413 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1749421311 PFEPOUFYAFXGFD-UHFFFAOYSA-N 428.585 2.025 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1749590727 DZNOEBGTDSSDBV-RTBURBONSA-N 447.605 2.493 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1749677818 LMSZZOSFMPMDKP-UHFFFAOYSA-N 447.465 2.496 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1749792707 SEUQGQDESQPBKJ-QGZVFWFLSA-N 432.475 2.403 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2([S@@](C)=O)CC2)CCOC1 1751018323 MLYDUEIVNMRCIE-IIMAJNMQSA-N 435.594 2.360 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccnc(OC2CCOCC2)c1 1760216955 IUBBAECIFJQMSU-UHFFFAOYSA-N 443.511 2.199 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)n1 1760252874 SMYOHUQSRBDKIF-QGZVFWFLSA-N 436.507 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)nc2)CC1 1760268915 RAPLWWJITBFGPB-UHFFFAOYSA-N 445.527 2.066 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760279665 HUWSWQNTNFUKQX-KRWDZBQOSA-N 425.518 2.284 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760283091 BCJYCBXDEMWZIH-UHFFFAOYSA-N 440.573 2.139 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(C)=O)CC1 1760315489 FWITVQPUBNSDQO-HOJAQTOUSA-N 435.569 2.042 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1760352572 SCANYBCXYQQLNN-QGZVFWFLSA-N 425.541 2.149 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1760355518 MYYNYSPIZVYYHF-QGZVFWFLSA-N 438.532 2.257 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760447827 SDADXDUQANQYGF-UHFFFAOYSA-N 433.578 2.398 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1760478791 RNJNAWRGKGJETA-IEBWSBKVSA-N 447.605 2.332 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1760495914 ZVIDGAZHAQRLAQ-ADXZGYQBSA-N 448.614 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2OC)C1 1760549660 JMHKRNYPORDREF-LJQANCHMSA-N 441.532 2.247 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1760633488 GQVCTVKFVOQRKR-UHFFFAOYSA-N 440.548 2.099 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCOC2)cc(OC)c1OC 1768279867 CUFZXDCKUWPJBS-QGZVFWFLSA-N 441.488 2.046 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1769974103 SIYVGWDYXYANBM-QNFHRHJVSA-N 445.520 2.288 30 10 IEEE COc1cccc2c1CCN(c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)C2 1770383414 ZBEHCTOJXNJHRS-LSDHQDQOSA-N 436.516 2.499 30 10 IEEE COCCOCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1771269029 MKJHIWOZMNTZIO-NRFANRHFSA-N 441.467 2.089 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CC(=O)N1CCCCCC1 1854528281 GQOQQWWGDHOAQM-INIZCTEOSA-N 430.936 2.482 30 10 IEEE N#CC1CCN([C@H]2CCCCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C2=O)CC1 1855597348 ASYQDBZFQJBSOK-HNNXBMFYSA-N 425.411 2.175 30 10 IEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(C#N)cc2c1 1857959689 NJPWWHXZNQJOQQ-UHFFFAOYSA-N 433.493 2.498 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862629825 FRUQTYTXXMGWGU-ZMZPIMSZSA-N 426.381 2.283 30 10 IEEE COc1ccc([C@H](C(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)C(C)C)cc1OC 1866992808 XEWBCVWHPHKJHS-WIYYLYMNSA-N 425.485 2.431 30 10 IEEE CCOc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(OC)c(OC)c2)cc1 1870098468 GCVSZXTXHRIOSB-UHFFFAOYSA-N 429.458 2.356 30 10 IEEE COc1cc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)ccc1O 1874298316 UQNBHDNDUJAHGZ-UDWIEESQSA-N 429.458 2.458 30 10 IEEE COc1cc(N2C[C@@H](CNC(=O)Cc3ccc(C#N)cc3)OC2=O)cc(OC)c1OC 1890883485 AGXZWHSDYUMXIV-QGZVFWFLSA-N 425.441 2.268 30 10 IEEE C[C@@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)n1nc(-c2cccs2)ccc1=O 1891843211 MKOGQDBCZNWWJA-GJZGRUSLSA-N 436.497 2.264 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060633798 RPMRRLICBQAWTH-JJTUDDRGSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C(=O)O)C1 2106601477 XREKHWPBZMYCCA-SFHVURJKSA-N 446.353 2.492 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccc(C#N)nc1 2195262431 QUPPRUTVZCBIIX-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]2COC[C@H]21 2254803907 VIFMFEYSVDIVFF-DLBZAZTESA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255636063 PCXXNJLKDLYCSG-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)CNc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2255993732 NNIJFNZGKTUWHC-AWEZNQCLSA-N 437.302 2.192 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C[C@@H]2[C@@H]1CO 2266748459 PFPQPURXTIJYBR-ULQDDVLXSA-N 445.369 2.045 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267092829 YMJWXVVHLCFSPQ-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183026 CTCCWFATOUODRF-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2cc(F)c(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2267210734 JGABMGZXKFLRQL-UHFFFAOYSA-N 448.197 2.015 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267236791 FVTKMGSUQMCRLT-ZWKOTPCHSA-N 446.353 2.316 30 10 IEEE Cn1cc(C(=O)N2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516024 XKVLZFJHRWYPTN-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267546801 BMSTUXDNPSFZDA-CABCVRRESA-N 446.357 2.246 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267592412 DOVQANKZCISFEX-GJZGRUSLSA-N 446.357 2.009 30 10 IEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267879978 NRFAVGYGQMQEDZ-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CN(C)CCN(CC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2303146538 HLTBZUSKIMXBOI-MRXNPFEDSA-N 425.379 2.480 30 10 IEEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2317504135 VUWUPGNBAVMUFU-GDBMZVCRSA-N 433.358 2.479 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CCO)COCc1ccccc1 2320424714 TWYKBRKQVJEAOA-KRWDZBQOSA-N 446.378 2.448 30 10 IEEE Cc1cccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 2322659679 PADGSFAYKNMHSC-CYBMUJFWSA-N 425.308 2.120 30 10 IEEE Cc1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155771 PSJYDYLLCULFGL-MTNREXPMSA-N 445.519 2.356 30 10 IEEE COc1cc2c(C=NN=c3ccc(-n4nc(C)cc4C)n[nH]3)c(C(=O)O)n(C)c2cc1OC 2328794710 SKCIYRHIOBKARR-UHFFFAOYSA-N 449.471 2.354 30 10 IEEE COCc1nnc(SCCCO)n1N=Cc1cc(Br)cc(OC)c1O 2331596957 BKNRAALLPYIJQW-UHFFFAOYSA-N 431.312 2.258 30 10 IEEE Cc1cc(CNC(=O)CN(CCO)C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343645515 UDYPCTNCIOUTOX-UHFFFAOYSA-N 448.369 2.140 30 10 IEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649894 PBCCPQLYPGYPEM-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE CC(C)(C#C[C@H](N)[C@H](O)c1sc(Cl)cc1I)S(C)(=O)=O 2366653994 QQIQQFUEKHLXBU-WPRPVWTQSA-N 447.747 2.193 30 10 IEEE CS(=O)(=O)C1(C#C[C@H](N)[C@@H](O)c2cc(Br)c(Br)s2)CC1 2367819274 SCNMDCQQWCUKHN-WCBMZHEXSA-N 443.182 2.214 30 10 IEEE CC(=O)Nc1ccc(NC(=O)COC(=O)C2CCN(/C=C\C(=O)C(F)(F)F)CC2)cc1 104690773 BNRDWOXXYLNKMF-FLIBITNWSA-N 441.406 2.484 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)c1 238831760 GBRCMSIJZYWMNZ-MRXNPFEDSA-N 427.411 2.153 30 10 IEEE CC(=O)OCC(=O)[C@]1(O)[C@@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 301054738 HYRKAAMZBDSJFJ-XCBBMPDUSA-N 434.504 2.322 30 10 IEEE N#Cc1cc(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)ccc1C(F)(F)F 410135814 OQPJYIZAEWLNLS-OAHLLOKOSA-N 445.463 2.369 30 10 IEEE CCO[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 445008028 LCBYHKGXQNDLJR-FQEVSTJZSA-N 442.541 2.352 30 10 IEEE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 461328256 VXJQGLLLCSPWTG-PKOBYXMFSA-N 426.542 2.352 30 10 IEEE C[C@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)CC4(C#N)CCC4)CC3)cc2NC1=O 477503885 AXJGLSUHAKNVKD-CQSZACIVSA-N 431.514 2.324 30 10 IEEE N#CC1(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CCN(Cc2ccccc2)CC1 482695444 QPFPVSISBIQPAY-DYXWJJEUSA-N 441.601 2.387 30 10 IEEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503014271 DYNAPMRMOVSIHI-JOCHJYFZSA-N 431.489 2.368 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 504017901 DQQHSQRFCCOHSF-UHFFFAOYSA-N 435.480 2.457 30 10 IEEE N#C[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1)C1CC1 505927737 CFCDNIUJQYZLHE-NEPJUHHUSA-N 432.365 2.472 30 10 IEEE CCOc1c(OC)cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC 506788777 QXTRJEOXFITZCZ-UHFFFAOYSA-N 445.541 2.481 30 10 IEEE Cn1nccc1CN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(C#N)c1 507423473 QZSWUKXRKHIBFH-UHFFFAOYSA-N 427.468 2.243 30 10 IEEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508669427 IGYVDRWMXVJIOJ-PMACEKPBSA-N 436.516 2.187 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N 508781533 YTPVJPVZSOHJQA-MRXNPFEDSA-N 429.498 2.294 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@]2(CCOC2)C1 508861661 DKGYELXXBSJYHK-HSZRJFAPSA-N 436.516 2.247 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1 513906384 XLCGDFZFDLLWQZ-QFIPXVFZSA-N 427.526 2.045 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 523476683 AWTMACZUQROCAP-UHFFFAOYSA-N 426.538 2.136 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1Br 549239385 ZIBPADYKIUMFJT-CZUORRHYSA-N 429.336 2.167 30 10 IEEE COc1cc(-c2cc(C(=O)N3CC(Oc4ncccc4C#N)C3)n[nH]2)cc(OC)c1OC 585245944 MEEUTFSMKVEHSM-UHFFFAOYSA-N 435.440 2.273 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)/C=C/c1ccccc1)N1C(=O)c2ccccc2C1=O 585831848 YXUJGHRPFQCCHL-RLJNMJBJSA-N 431.492 2.048 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccn3)c2=O)cc1F 588157762 VYOGEXVIVTVCRW-UHFFFAOYSA-N 435.480 2.314 30 10 IEEE CC(=NNc1ccc(Br)cn1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 727266349 QTGKVBMSOYGTDE-UHFFFAOYSA-N 427.280 2.043 30 10 IEEE C=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)F)cc1 730141334 JHPJOMXGILGZPX-HNNXBMFYSA-N 426.489 2.473 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H]2CCCC[C@@H]21 732154911 ZKGDGCZFIXQNOK-XWOXCUHHSA-N 432.521 2.197 30 10 IEEE C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735233037 HGZGGESDPGVSRC-HXUWFJFHSA-N 437.847 2.185 30 10 IEEE CCN(Cc1ccccc1)C(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745498297 VMAFKTZAOPCJBR-MRXNPFEDSA-N 443.525 2.096 30 10 IEEE COc1ccc(CNC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1C#N 746715586 CPSIVTYXPIDAPQ-UHFFFAOYSA-N 430.530 2.394 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cc1C#N 747499018 UVMHYTJOOCJKAT-OAHLLOKOSA-N 446.467 2.218 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)n(C3CC3)c2C)c1=O 748065311 LMBVVNHPHRZMPI-UHFFFAOYSA-N 425.554 2.182 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cnc(C2CC2)nc1 756084238 JBGYBSBESNPRDL-UHFFFAOYSA-N 441.557 2.312 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2)C1 760301938 PBBNVSJCGXWXDM-DLBZAZTESA-N 429.546 2.091 30 10 IEEE C[C@@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)Nc1sc2c(c1C#N)CCC2 768427124 GAGRMXMQXSXDLS-SECBINFHSA-N 440.558 2.412 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)OC)C3)ccc2c1=O 775376258 ZOAYBMAZQHGYNX-UKRRQHHQSA-N 430.530 2.468 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)C1 780607735 HQQIZDPDRYRPMG-WBVHZDCISA-N 443.483 2.024 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783958176 RJQKLIGOCLTVDH-UHFFFAOYSA-N 448.573 2.443 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2cnn(CC)c2)ccc1F 807925100 HPHAVJKUMNAIGL-KRWDZBQOSA-N 438.550 2.437 30 10 IEEE COc1ccc(Cl)cc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1cnn(C)n1 807940942 YUUFUTGGNIIBFO-MRXNPFEDSA-N 448.936 2.278 30 10 IEEE N#Cc1ncccc1COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 813160851 HKBCKQOIOYRWAY-UHFFFAOYSA-N 431.378 2.370 30 10 IEEE COc1cc(/C=C/C(=O)N2CCN(C(=O)CC#N)CC2)ccc1OCc1c(C)noc1C 819462822 BFOFQDOITAMUNE-FNORWQNLSA-N 438.484 2.477 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1 821751286 DCHLWQCHLHVXEZ-UHFFFAOYSA-N 434.452 2.285 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)n[nH]2)c1C 1136137927 QZWNKQMPSKJEFH-UHFFFAOYSA-N 439.520 2.061 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1154914428 GRRKKQUOJGDEKQ-QGZVFWFLSA-N 439.509 2.498 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)OC 1155778895 BPZPQPOOWUTEPT-HOCLYGCPSA-N 440.443 2.001 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OCC 1193572343 BWIAIHDMOWXBCF-MRVPVSSYSA-N 436.360 2.158 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 1254755139 OVZUYIJQEJOSLU-UHFFFAOYSA-N 434.562 2.362 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCS1(=O)=O 1286290163 QSCSMFZVENDGMQ-MRXNPFEDSA-N 440.529 2.094 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286357205 ZHTSAAOWFVBRMM-UHFFFAOYSA-N 426.569 2.137 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1286466418 GNSZUGPIFOOLFL-OXQOHEQNSA-N 438.450 2.318 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CC(F)(F)CO2)CC1 1286489202 JPTWXELEKHNJRB-GOSISDBHSA-N 429.471 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](F)COC)CC1 1286491623 ZIVKUXNLLMISEP-FQEVSTJZSA-N 427.524 2.128 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286556488 CNMZXQBJSOMKDW-DENIHFKCSA-N 432.613 2.104 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)NCC)c2)C1 1286808265 BCYYJAJQQNSDAC-WOJBJXKFSA-N 425.533 2.361 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1286970807 FAUBVQPRTQMIBX-ZHALLVOQSA-N 432.569 2.041 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1288519940 QLQZTXCYCJDKFF-IRXDYDNUSA-N 447.561 2.393 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(-c3nc[nH]n3)cc2)CCOC1 1296525173 ARFUHHREHVXWAA-AOMKIAJQSA-N 436.520 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCn1ccnn1 1300276181 ITBXZBFHAIRMPC-HNNXBMFYSA-N 425.493 2.111 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300372399 GIJPBNNEEHGKSX-KRWDZBQOSA-N 425.489 2.310 30 10 IEEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC(O)CC1 1300467698 KEJKCQBJRBHETA-UHFFFAOYSA-N 430.556 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1300522870 OPQMLRNKMRZJGJ-VWLOTQADSA-N 447.539 2.436 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCSCC2)CC1 1300692901 OISNPTMZQHIFHR-UHFFFAOYSA-N 431.009 2.403 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cccnc2OC)CC1 1300703720 QNTTTZFYKRKIRH-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[C@H]2C)CC1 1300730603 CGOWIUXLWHCOEE-MJGOQNOKSA-N 437.544 2.488 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1300732766 ORONEPXODIQJBS-LJQANCHMSA-N 443.573 2.369 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCC1(F)F 1301808896 HOKTUKURWDDWCW-JKSUJKDBSA-N 445.536 2.372 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1302597018 NXXCHEUBNITHPO-OAHLLOKOSA-N 436.555 2.088 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOc1ccccc1 1303377854 CHSFNEPTXCICBL-UHFFFAOYSA-N 447.499 2.030 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1303638593 AMQBIAIBRAUUCO-WMZOPIPTSA-N 436.582 2.240 30 10 IEEE C[C@H](CC(=O)NC[C@@]1(c2ccccc2)CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1303938841 WVLIGSPOYMGLMZ-OPAMFIHVSA-N 427.526 2.326 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2c3c(sc2=O)CCC[C@H]3C(=O)OCC)c1 1307372451 RGVLFYVMJGZLDE-OAHLLOKOSA-N 427.482 2.222 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC)C2)CC1 1314494760 APOHJWWTQLIQRT-NRFANRHFSA-N 437.592 2.317 30 10 IEEE COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1315764514 BWKVHTJAQZKBRY-OAHLLOKOSA-N 434.566 2.069 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nnc2n1CCCCC2 1316173124 WULPCXRZBLZDMQ-KRWDZBQOSA-N 442.568 2.498 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1353157594 KKMHKPPQFAFYNF-FUHWJXTLSA-N 443.548 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358870345 LJIQHSXHRSELEL-ZWKOTPCHSA-N 443.511 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1358871156 AMOCNMCKVKLSBR-CHWSQXEVSA-N 427.933 2.381 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H]1C 1358885333 HXWWPHWLKVGBIW-IAGOWNOFSA-N 429.594 2.180 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1358920052 RDODSXBBRVRVTG-ZDUSSCGKSA-N 430.372 2.181 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358965080 NKCOCFVJMMTWRA-RTWAWAEBSA-N 442.585 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1c[nH]nc1C 1358976705 NSVDHDKHNZLKES-UHFFFAOYSA-N 426.484 2.331 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1Cc1cn(C2COC2)nn1 1358997153 HBXVJHHHGIWQKT-UHFFFAOYSA-N 445.527 2.148 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1359040494 XCGMYNPYYBPWRZ-CMOCDZPBSA-N 445.608 2.353 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1359159618 ABIJJOMYRLKTSA-DEOSSOPVSA-N 446.640 2.360 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCS(=O)(=O)CC1)C(C)C 1359265762 LREZOLBXQSSVJI-FQEVSTJZSA-N 446.621 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359294281 PLEYLMUURONJDL-YCRPNKLZSA-N 431.924 2.285 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359411243 GBHPVKSZWCUIBJ-ZSHKSDETSA-N 449.559 2.179 30 10 IEEE COc1cc2c(cc1O)CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1455857924 DMRJDZMKQGVKMI-GOSISDBHSA-N 434.452 2.062 30 10 IEEE COCCN(Cc1ccc(C)c(C)c1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1455871498 DJKQFWXUMDKDLZ-UHFFFAOYSA-N 429.542 2.407 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)[C@@H]3CCC[C@@H]3C#N)cc2)C[C@@H](C)O1 1460604745 GICUJRXVCUEXHN-AXVVYFOYSA-N 434.562 2.047 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1464339222 STLJXKLQWJGUKY-QHCPKHFHSA-N 440.500 2.269 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cc1 1466736339 IEXHXIGQJGIQQO-AOIWGVFYSA-N 426.517 2.477 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1469508811 VORQUTVBMZIJLY-DLBZAZTESA-N 429.583 2.266 30 10 IEEE CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C)C)cc1 1478768776 DPDQEFZHNYBFCJ-JAXLGGSGSA-N 432.590 2.068 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)[C@H]2C1 1479233622 UQDFZTOGLKFICB-MZADTFQBSA-N 439.560 2.498 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1502389505 GOJQEIVCOZOQFE-LJQANCHMSA-N 440.548 2.365 30 10 IEEE COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)N(C)C)c1 1504323834 DTUALIOEPHKQEW-LPHOPBHVSA-N 427.553 2.466 30 10 IEEE CSCCCN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1505257210 MONGOQDTMQTKCC-HTXNQAPBSA-N 427.534 2.056 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1507679454 NABXRBWXOWUZCO-GFCCVEGCSA-N 429.468 2.008 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCCCC2)CC1 1507753515 GTCAUDGFVVLEJS-LJQANCHMSA-N 430.622 2.298 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1507954636 OXBSYNVROQLJSM-UYAOXDASSA-N 446.573 2.431 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1NC(=O)CC1(C)C 1508038231 SAYHOJAMTSJEIM-QGZVFWFLSA-N 428.493 2.407 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(C)c2)C1 1508127893 XBYVBTPVAAHRNT-ROUUACIJSA-N 434.537 2.457 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1508234825 BOWVRRCJINAGGS-JOCHJYFZSA-N 436.541 2.454 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cc(C)nn1C 1513024728 FKTDCPGLNCGCKF-WBVHZDCISA-N 434.552 2.259 30 10 IEEE Cn1ncc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)n1 1517421893 FGXSCUWBODIZSF-UHFFFAOYSA-N 428.447 2.335 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCNS(=O)(=O)c2cccnc2)s1 1520535026 IQRLRNPNZBSFTG-UHFFFAOYSA-N 447.007 2.328 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1537881270 BOYUPZMGSBTWNE-WMZHIEFXSA-N 428.533 2.249 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539218756 CLSMOLMOLKMKOF-RTBURBONSA-N 435.638 2.225 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539224045 CGRMIXWQFSTPPC-LJQANCHMSA-N 442.585 2.499 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CSC)c1 1539266840 SSQUGUBPYDGKBE-IBGZPJMESA-N 428.583 2.164 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1c[nH]nc1C 1539361740 CTLPXKHEHLKNCI-UHFFFAOYSA-N 430.516 2.316 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539524513 HEPDSZUHDRPLHM-UHFFFAOYSA-N 427.622 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@H](C)C1 1540900203 NWKXLOMJMFBXIA-CQSZACIVSA-N 436.559 2.216 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1541095753 KRFIYUFXNYLNOJ-CTNGQTDRSA-N 438.532 2.260 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1546747522 MSLIDEAWKCEGHG-WYJFCODTSA-N 444.536 2.050 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1554844594 JNOHWWAIYKJYTJ-QFIPXVFZSA-N 436.472 2.177 30 10 IEEE COCCCN(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1555486988 URDKNFPNDMYNGO-LJQANCHMSA-N 437.548 2.047 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1584347991 NZFUYNNJIULPIV-HNAYVOBHSA-N 434.512 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)Nc1ccc2c(c1)B(O)OCC2 1586561657 MBIIHTYXMSRKPD-OAQYLSRUSA-N 447.300 2.291 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1csc(COC)n1 1588155019 KVUZHQMEPCESKG-UHFFFAOYSA-N 431.525 2.241 30 10 IEEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)C1 1588165991 CXCNNAAIQTZKBP-GFCCVEGCSA-N 446.310 2.027 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1588265891 JRKOMFVUDZABRG-INIZCTEOSA-N 446.577 2.113 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)C(C)(C)C 1588386615 QLNZKNGPDPFJME-WJOKGBTCSA-N 443.621 2.459 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1593741162 JTXIVUWOZHFJPH-ROUUACIJSA-N 441.532 2.488 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1594957005 WQQKSOUGYSFQDY-UHFFFAOYSA-N 440.596 2.185 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1)C1CC1 1595070922 RPVNZNHJWWBMQG-GASCZTMLSA-N 428.541 2.380 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1595141785 LCPCPBQTVAYMSB-SFTDATJTSA-N 434.562 2.336 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595556069 MSWFADMRYKLERL-CRAIPNDOSA-N 433.940 2.065 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595778043 UWHLCTBNDHCLOA-YLJYHZDGSA-N 440.573 2.090 30 10 IEEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 1595937117 BQXWRIQXSOCHFH-KRWDZBQOSA-N 431.539 2.100 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1597578421 HIWZYWGWEVEVKE-UHFFFAOYSA-N 444.561 2.300 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1598194990 DUIPUVIEYRLIMC-OAQYLSRUSA-N 431.562 2.496 30 10 IEEE CCCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)o1 1614430180 GTALDOMUAMBUSG-MRXNPFEDSA-N 429.525 2.223 30 10 IEEE CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1615501117 BRDRIKCGTVFRFM-LZICOFPGSA-N 442.545 2.396 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1ccco1 1620002084 NUQBHGMBTSJGLY-HRAATJIYSA-N 430.509 2.155 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CC1 1620353830 TXUHQGOYFXBSPZ-AWEZNQCLSA-N 430.310 2.175 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccncc2)C2(CO)CCC2)CC1 1620452375 GQBNSIRPLFDNCH-SIKLNZKXSA-N 439.585 2.345 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1624080924 YZTYUDKKJOHOSB-LJQANCHMSA-N 436.468 2.077 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1630578734 ZLGGJSGHGJUNOI-CQSZACIVSA-N 444.941 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](C3CC3)C3(CO)CCOCC3)C2)C1 1631437101 SMKUWVARIIDULA-AAXCNWCCSA-N 447.576 2.457 30 10 IEEE COCc1ccc([C@@H]2COCCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)o1 1634109140 WSXOJTSQIDLNHI-OIISXLGYSA-N 434.493 2.268 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C)c1 1635222781 BEHDTCNJMXBRRK-UHFFFAOYSA-N 437.562 2.316 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCOCC1 1637127508 FHXLSMDLBCEWCR-JOCHJYFZSA-N 441.553 2.284 30 10 IEEE CCN1CCCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1638675306 RVDBPVIPXZRRTB-FQEVSTJZSA-N 426.517 2.473 30 10 IEEE C#CCn1cc(CNC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 1640012605 CULJNBDXNGMZBE-HSZRJFAPSA-N 444.491 2.032 30 10 IEEE COc1c(C)[nH]cc(CN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c1=O 1641707399 AGPFKSOUECFFOK-WBWVDOBWSA-N 444.532 2.437 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)c(=O)c1C#N 1650978749 IQBRUWPDMNZGKK-UHFFFAOYSA-N 440.257 2.238 30 10 IEEE CCOC(=O)C1=C(CN2CCC[C@](C#N)(c3ccccn3)C2)NC(=O)N[C@@H]1c1ccco1 1655280757 NJFVIDUHLQIUFW-NFBKMPQASA-N 435.484 2.403 30 10 IEEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)Nc2cc(C#N)c(F)cc2F)c1 1680087668 APZDSQGQHXWAPF-UHFFFAOYSA-N 429.387 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1689835886 UNIOVGZVNYRBHQ-FUHWJXTLSA-N 443.573 2.065 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689987909 FFAZSJVKWRJBOT-RTWAWAEBSA-N 441.601 2.394 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC1CC1 1690013471 PVUDOBLAXASNMO-UHFFFAOYSA-N 430.512 2.082 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1690037118 MSVFHSXXDRMQHL-UHFFFAOYSA-N 441.513 2.141 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1690204225 CWMFXUYDGAJFSJ-OXJNMPFZSA-N 438.498 2.496 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690308778 ZODNXUJTNNTUHF-FQEVSTJZSA-N 427.597 2.093 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690319326 JFFXTOXAYQNGQF-NRFANRHFSA-N 447.543 2.498 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690410340 IKUIGSAWSXKVTA-GOSISDBHSA-N 430.578 2.475 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1690692155 SJMDXUMYMHLEOG-VGOFRKELSA-N 447.967 2.455 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1690747067 SBOPWGVVYGOITN-IAGOWNOFSA-N 443.639 2.157 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1690997243 GTFMJHFMQVGIOO-JKSUJKDBSA-N 445.545 2.137 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1692663030 KBPBVLGUTUGPEA-JKSUJKDBSA-N 434.541 2.240 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C1 1696368739 GJUCTKHGFCFUNE-GOSISDBHSA-N 426.521 2.118 30 10 IEEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1696398511 FJSBRLQBTMMLOV-UHFFFAOYSA-N 446.577 2.105 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705519585 PRRGVLYOJKGSNW-UHFFFAOYSA-N 434.544 2.387 30 10 IEEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1705580192 FCDYFEMSMGEROG-XTQSDGFTSA-N 439.479 2.026 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)cc1 1705598113 BIASJTJIHCLSSK-HXUWFJFHSA-N 440.569 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC)N2CCCC2)CC1 1705647889 KSSVJSMCYCGZSM-RTWAWAEBSA-N 442.608 2.012 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705751263 FSCAHRWHMOVPQV-UHFFFAOYSA-N 444.967 2.451 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705757974 FWWBLDXDNOYUKR-UHFFFAOYSA-N 434.972 2.382 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1705841259 URNZZDUWGQMTLE-OAHLLOKOSA-N 440.479 2.111 30 10 IEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705893171 PHBDCNVJUQUZDI-NRFANRHFSA-N 432.546 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C(C)C 1705895647 NRGIESZWMOXOFS-UHFFFAOYSA-N 433.582 2.084 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cncn2)C1 1705899100 HYNPZOWXISLKGC-OAHLLOKOSA-N 426.912 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCc2ccccc2)CC1 1705900556 IAMOSJVRANWFIT-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705945100 CAHPEFASAJBPDB-QGZVFWFLSA-N 443.639 2.347 30 10 IEEE Cc1nnc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)s1 1707849829 XOIOPZICYXZQMU-MRXNPFEDSA-N 425.518 2.357 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1708129499 CQOGHLPVTMHTJO-JZRSTAGNSA-N 435.532 2.273 30 10 IEEE CCNC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1710340135 GXAIPYGLCLWPOT-UHFFFAOYSA-N 425.518 2.295 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711119469 DQPLFGZPJOAOGM-HTXNQAPBSA-N 444.927 2.095 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC[C@@](F)(C#N)C2)C1 1711273918 KADWIYZOOFAMBC-MOPGFXCFSA-N 449.328 2.216 30 10 IEEE COc1ccc([C@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1711719486 BLVPPJXQEOMWSC-APWZRJJASA-N 426.521 2.347 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C(C)=O)CC1 1722299871 URWQDCYNBSKMNX-FQEVSTJZSA-N 438.576 2.096 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1722336891 RKIUELWHSGLIHE-QGZVFWFLSA-N 447.543 2.145 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CCC)OC 1722376421 OCLNLWVEOUYCMM-SFHVURJKSA-N 442.589 2.435 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722381251 LUCNRHCYLUUEPP-ROUUACIJSA-N 439.482 2.246 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1722409945 KWDZYUSHTUHUFS-FQEVSTJZSA-N 432.576 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)c2nccs2)CC1 1722449550 UJJBTDHAIUYVRV-QGZVFWFLSA-N 449.584 2.490 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722528779 OGXLGTYDGOKEAS-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722646904 YOCCANBZFNBUGD-IBGZPJMESA-N 440.928 2.442 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722701006 CELMSOXLWODJRC-DYESRHJHSA-N 439.560 2.378 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCNC(=O)[C@H]2CC)cc1 1722704577 KUDKKHKHVNMQCE-OAQYLSRUSA-N 449.559 2.468 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1)[C@H](C)C1CCC1 1728298052 YXBMMCVEBXMENV-OPAMFIHVSA-N 443.573 2.381 30 10 IEEE CCN(CC)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1728412184 GJBWVFWWTUDAIE-NRFANRHFSA-N 438.515 2.095 30 10 IEEE N#Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](C(N)=O)C2)o1 1731184705 SABBBVTTZVGQPJ-ZDUSSCGKSA-N 426.864 2.335 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740536731 LRGKHMZAFGMRBE-WIYYLYMNSA-N 438.576 2.354 30 10 IEEE C#CCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740596493 GZKQNPISHLZNGG-PKTZIBPZSA-N 442.564 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1740705926 OOQTVTMVPQFVDK-UHFFFAOYSA-N 435.576 2.158 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccnn2)CC1 1740714259 YFELSUKKWOIMDC-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1740756180 OERXOWJMQCGKIF-FXAWDEMLSA-N 429.521 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1740761340 NASIKJPLPIEWMK-LMMKCTJWSA-N 438.594 2.167 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1740774786 ASAQUCGLQGWSQQ-UHFFFAOYSA-N 448.589 2.220 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CCc1cnccn1 1740792082 FMTPXMRMZLKXLS-UHFFFAOYSA-N 425.493 2.067 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1C 1740939306 UVQKUQIQCBXJJQ-IEBWSBKVSA-N 438.536 2.232 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc3ccccc23)C1 1740972054 CELZMKNEZIQGCT-WBVHZDCISA-N 445.545 2.464 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccco1)N(C)C 1741132504 ZHNGVTURYVPLRU-GDBMZVCRSA-N 425.493 2.498 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1743383208 KDISFGXDHBMMEO-WAIKUNEKSA-N 441.532 2.192 30 10 IEEE CC[S@@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1747452134 TUKCSJCQKGUZNR-YHAMSUFESA-N 443.346 2.257 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)c1 1748578382 HAWIERNXLMLBNL-QGZVFWFLSA-N 437.447 2.363 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748804517 IPNLCTPVVPBOSB-WMZOPIPTSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2nsnc2c1 1748825536 YTDPLRXPFUMHMX-UHFFFAOYSA-N 428.481 2.051 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@@H]1OC 1748847197 PFGBOXIVMLTYGS-SFTDATJTSA-N 433.560 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2[nH]1 1748892593 SGVXULJYRAJYOD-IBGZPJMESA-N 435.553 2.367 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ncnn1C(C)(C)C 1748957041 SDDNFOZOQWMNGN-UHFFFAOYSA-N 437.504 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cc(C)no2)CC1 1749018631 BJBGPXKUSPTJNZ-UHFFFAOYSA-N 448.527 2.476 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1749465033 LGOZWNYFRZBFCO-CABCVRRESA-N 445.549 2.364 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1749683173 LECDMFYLEHZKLZ-VQIMIIECSA-N 428.512 2.286 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749714214 AVYMOBJEXYAJRQ-YLJYHZDGSA-N 440.548 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@](=O)C(C)(C)C)C1 1749721792 UFPBUERIBIOMMC-MXVOIOKFSA-N 440.610 2.331 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CCc1nnc2n1CCCCC2 1749830207 GJQIVAMDCFNNOE-GOSISDBHSA-N 442.568 2.447 30 10 IEEE CC1(C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1751298188 QAKOABLNTLGSSY-UHHPSXQGSA-N 446.577 2.030 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760154603 GVGMRTQOPYLKPQ-IRXDYDNUSA-N 447.536 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)[C@H](C)CC 1760197106 QFXRPPQARMZTIW-GOSISDBHSA-N 427.574 2.152 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1C 1760232175 VSHICGRIXAKRSD-IAGOWNOFSA-N 430.578 2.370 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC(N)=O 1760275107 ZWZIMVFWIOKWPA-NSHDSACASA-N 425.356 2.102 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760285585 KQBQHBIFYUEGCJ-IRXDYDNUSA-N 432.477 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760288365 AHCKQESPZLKIDZ-WWPVKYPJSA-N 442.585 2.362 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1760294261 RZIMMGDGTBXESB-XMSQKQJNSA-N 441.557 2.085 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(OC)CCOC2)CC1 1760384038 HXWAVKHWNZCCAM-NRFANRHFSA-N 432.546 2.311 30 10 IEEE C=CCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760514133 SRFPUHFSOZTHLB-FGTMMUONSA-N 443.552 2.337 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccco1 1760548225 BGEIHAQSFGYCGS-OAHLLOKOSA-N 444.517 2.317 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H](C)O1 1763083272 VVNVVJOWDFCDHL-GPMSIDNRSA-N 429.546 2.398 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1763448859 ALRBHMAAWFUXHX-YLJYHZDGSA-N 449.563 2.333 30 10 IEEE CC/C=C/Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1765347726 HSWFRAVNYSOICI-ZMBJWTFHSA-N 444.561 2.085 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1768637558 GPAQCAQJLDMKQJ-HXUWFJFHSA-N 442.589 2.174 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCCOC(F)F)c1 1770735742 NQEFYGGNZLCKHQ-CVEARBPZSA-N 432.431 2.381 30 10 IEEE N#Cc1cnc(C(=O)N2CCN(Cc3cnnn3-c3ccccc3F)CC2)c(Cl)c1 1852036355 FMTSGSOVSUPULE-UHFFFAOYSA-N 425.855 2.284 30 10 IEEE COc1cc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nc2c(OC)cccc12 1852293776 XRXAWVJCJAJTED-UHFFFAOYSA-N 447.495 2.498 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(C(F)(F)F)nc(SC)n1 1852503741 UKNTWLWWXZSLCN-LLVKDONJSA-N 438.497 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(F)(F)F)C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1852621046 ULHYCJYFYIGRBV-OLZOCXBDSA-N 430.383 2.462 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854130451 RVWAKRWIUHECKO-HNNXBMFYSA-N 445.928 2.343 30 10 IEEE N#Cc1ccc(CCC(=O)N2C[C@@H](CN3CC(Cn4cc(Cl)cn4)C3)CC2=O)cc1 1856228725 TXZVRIIYPIYCHW-GOSISDBHSA-N 425.920 2.348 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1 1866726960 GZFWVMACZGEHOU-ICSRJNTNSA-N 435.480 2.329 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541011 NQDQDZXPVOVLFC-UHFFFAOYSA-N 447.543 2.401 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(OC)c2)cc1 1874302540 DPTWQKYKQAKCNX-FSJBWODESA-N 441.513 2.441 30 10 IEEE COc1cc(/C=N/n2c(CCc3cccs3)nnc2SCC(N)=O)cc(OC)c1O 1874370662 LTXZJSMCIAPHJO-UFFVCSGVSA-N 447.542 2.307 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1962793751 DJCAGRCKNYFMEX-CYBMUJFWSA-N 439.372 2.238 30 10 IEEE C#CCN(C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1984760602 WHEYXGAWSYQUGF-IBGZPJMESA-N 434.558 2.463 30 10 IEEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCCO)cs1 2177653190 YKXMFTFNRAHCPV-OAHLLOKOSA-N 446.550 2.149 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247920039 UKPRLZSRAKIIMJ-AWEZNQCLSA-N 440.371 2.005 30 10 IEEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248404270 LLHPZXLCVJANSI-YPMHNXCESA-N 441.359 2.309 30 10 IEEE CC(C)(C)OC(=O)NC/C=C\C(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2248443522 OEZAZZUCUMRNPK-HJWRWDBZSA-N 437.733 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC[C@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)O2)C1 2255602136 NTNIAYOFVHUQQZ-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE Cc1c(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255633046 VRRNEZCZVTYDDU-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829889 XAUTULFINMSDFY-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256596758 AOLRAKBIJYRWFV-UHFFFAOYSA-N 429.286 2.125 30 10 IEEE C#CCN(CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)C(=O)OC(C)(C)C 2256598808 SKMKJADVIPWGMU-UHFFFAOYSA-N 449.744 2.265 30 10 IEEE Cn1nc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267133035 XMURUYLWCHEPTD-GJZGRUSLSA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]21 2267143200 FAUKCKYOFCXOGB-GOEBONIOSA-N 446.357 2.180 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2267184802 XUMRRUUVHZNIQA-GASCZTMLSA-N 448.373 2.143 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2267264020 MJSYMTBETMIDGX-CMJOXMDJSA-N 445.369 2.454 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267515386 NNAASEGGSSMVBM-HZPDHXFCSA-N 448.373 2.237 30 10 IEEE CN1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2267816551 QJIJNJUYNYAGBR-QGZVFWFLSA-N 446.401 2.213 30 10 IEEE Cc1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2268634586 YTYMPYXKNOYPIY-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268642860 GSYWXNIXONRERI-YOEHRIQHSA-N 446.353 2.149 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2269056864 DFFVPLUFIAHCPZ-LJQANCHMSA-N 440.305 2.171 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)OC1(C)C 2282182357 RBOFTGOYZOQPRI-UQBPGWFLSA-N 448.376 2.370 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CSCCS2)OC1(C)C 2282510759 DKHNSDPVYQBNQZ-CYBMUJFWSA-N 435.467 2.315 30 10 IEEE C#CCCN(CC(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286049195 NWKZUFNMRCBVHS-GOSISDBHSA-N 438.546 2.156 30 10 IEEE COc1ccc(C=C2Oc3cc(OCC(=O)NCCC(=O)O)ccc3C2=O)cc1OC 2297472024 BTQLMXTYDJKMAL-UHFFFAOYSA-N 427.409 2.290 30 10 IEEE Cc1c(C(=O)OCC(C)C)sc2ncn([C@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c12 16893205 SDKGRUXPFSWMAY-GFCCVEGCSA-N 442.501 2.384 30 10 IEEE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467287 NQVBHQZVFZYMAM-ATVHPVEESA-N 443.598 2.187 30 10 IEEE Cc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887545 YMSFEEFPBHKFTG-KEBDBYFISA-N 428.522 2.096 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSCc2ccc(Br)cc2F)CC1 65087469 KNRSVOLLXGTQFA-UHFFFAOYSA-N 444.370 2.268 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](/C=C/c2ccccc2)[C@@H](C#N)C(=O)N3)CC1 72444738 MIMYDKOQUHYPRI-CWDJHMJFSA-N 447.495 2.438 30 10 IEEE COc1ccccc1[C@H]1/C(=C(/O)c2ccc3c(c2)OCCO3)C(=O)C(=O)N1CCN(C)C 103108850 IPKUMHKOJARVEQ-AGGMBTAESA-N 438.480 2.450 30 10 IEEE COCCN(CCOC)C1=C(c2ccc(OC)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170034479 AIGNWQGYZGWOTI-UHFFFAOYSA-N 435.480 2.446 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 444725397 GRGDXIJZYILQSY-YVWKXTFCSA-N 442.457 2.170 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 460548517 HKRJVSVKWQBPRK-HSZRJFAPSA-N 438.532 2.290 30 10 IEEE CCS(=O)(=O)c1cccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 461018031 UXMSWMYWNXAMJJ-LJQANCHMSA-N 443.550 2.435 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 468793112 BPQJZMGRLQWUEK-FXAWDEMLSA-N 439.487 2.299 30 10 IEEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 471009756 DUMYPSNBTVAMLL-WFASDCNBSA-N 431.846 2.299 30 10 IEEE C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 474801330 QNDDTKIYXKZSKN-UHFFFAOYSA-N 435.468 2.314 30 10 IEEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 475751788 AMQONQNELZUGJX-SCLBCKFNSA-N 439.299 2.290 30 10 IEEE CCOC(=O)C[C@H]1C[C@H](OC)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 478770791 UFFRSRIXVXDWES-KGLIPLIRSA-N 431.308 2.052 30 10 IEEE C=CCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 505028381 CSJSFCGPMDYJGX-ROUUACIJSA-N 436.578 2.309 30 10 IEEE CC(=O)NCCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 512459344 GLWDSQCHJSSWSP-LBPRGKRZSA-N 429.926 2.069 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 524496551 UAUNWFUULKWXPA-LJQANCHMSA-N 433.622 2.151 30 10 IEEE COc1cc2nc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)sc2cc1OC 532611530 AVCAVJFQHAYHRN-LLVKDONJSA-N 446.510 2.491 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 534861185 VZLDFWJKGOLHGV-PNHOKKKMSA-N 446.960 2.440 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CC3)c2=O)c1 540696239 IOJMBFGRBNSWEJ-UHFFFAOYSA-N 447.516 2.351 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccc(Br)cc3-n3cncn3)CC2)n1 546168719 NGIBOQRVBRRREW-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(OC)ncn2)CC1 574706646 LEEAPKUMHMZUJZ-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 604000152 SCAWTNBPOMBFJO-UHFFFAOYSA-N 434.546 2.168 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C#N)cc1F 729845823 JQHXKPOJHOLRMX-SFHVURJKSA-N 428.489 2.467 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4nnc(S)n4CC)C3)cc2C1=O 732082718 UHPTWLNYYXDTQH-AWEZNQCLSA-N 425.514 2.389 30 10 IEEE C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742624503 VFWZSBXHMZIPBV-JTDSTZFVSA-N 427.526 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCCSCc1ccccc1C#N 754883220 PLJRAQZLTQZARJ-GOSISDBHSA-N 446.573 2.423 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC23CCCC3)cn1 757914007 BGIYUWNHRPTMFP-SJORKVTESA-N 432.594 2.235 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)cc2)C1 760299055 IGPCJICOHJJWEM-ROUUACIJSA-N 443.573 2.399 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1OC 768153395 WANBSMSXZIHYDW-QZTJIDSGSA-N 429.498 2.238 30 10 IEEE N#Cc1cccc(CNC(=O)COC(=O)c2c(N)cccc2I)c1 780277321 LNGGLFNHOUYJLD-UHFFFAOYSA-N 435.221 2.218 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H]2CCCO2)CCN1C1CC1 802681247 AQTHTQGACKZPCM-DBXWQHBBSA-N 436.516 2.146 30 10 IEEE C#C[C@@H](CCC)n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192351 PBPRRCXGTJLQKS-HNNXBMFYSA-N 430.559 2.068 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 812933629 IOJUWBRBCIAQRF-IBGZPJMESA-N 446.460 2.124 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@H]2COc3ccccc3O2)cc1 916715624 SPXAGZKSBCBWLS-XGTYDZQNSA-N 444.513 2.461 30 10 IEEE CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918608191 GREWRKZLFUXZMP-VBUUPXLYSA-N 440.591 2.086 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 920643448 FHKZJIIIHWUVMM-FAGJFJLWSA-N 446.529 2.214 30 10 IEEE CC(=O)N1CCN(C(=O)[C@H](OC(=O)c2c(C)oc(-n3cccc3)c2C#N)C(C)C)CC1 925932393 KRNMIDIPFQBDDV-LJQANCHMSA-N 426.473 2.123 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1132668255 IYBUUYORXLGCHM-AWEZNQCLSA-N 441.271 2.114 30 10 IEEE CS(=O)(=O)c1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1136221454 ICUZPNNECKMUSQ-UHFFFAOYSA-N 435.303 2.194 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)cc1 1141412042 WOLQQMJPVNCHQQ-UHFFFAOYSA-N 430.436 2.055 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@H](c3cccc(OC)c3)C2)ccc1F 1150472478 KLZFTDWJMYXEAV-IBGZPJMESA-N 433.505 2.085 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1156592338 UMRGSPVKLDUDRK-OALUTQOASA-N 444.532 2.094 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)n[nH]2)c1C 1180266379 QZURCTRNXHRWOH-UHFFFAOYSA-N 442.545 2.402 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2ccc(C(=O)OC)n2C)c1 1181092565 WUCDPIXEWXDQAY-IBGZPJMESA-N 443.525 2.091 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)CC1 1199351037 WBMWIZQDBAINIK-WIYYLYMNSA-N 448.589 2.399 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCc2ccc3c(c2)OCCCO3)C1 1225937958 NIXRNMJWZVDFRF-DLBZAZTESA-N 430.505 2.449 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(N)=O)[C@H]3CCOc4ccccc43)cc2C1=O 1272783570 ASTQZKDGUHJKAJ-IBGZPJMESA-N 433.464 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1286274873 PKRXEBOIWALOGY-CYBMUJFWSA-N 443.309 2.043 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@]2(O)CCO[C@H]2C)c1 1286308045 DZMCCKSYBLQUPP-DGGJZMOXSA-N 425.533 2.388 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)F)c1 1286311870 QWQUMWYLQKVBOT-UHFFFAOYSA-N 446.502 2.304 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286384106 GZUUREFDUJUHSB-OALUTQOASA-N 431.562 2.033 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286391009 BHXDZNLDBVVILA-INIZCTEOSA-N 435.619 2.365 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1Cc1cccc(OCC(=O)N(C)C)c1 1286528885 OXQNZJOZZLQKNY-HSZRJFAPSA-N 425.533 2.322 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286710001 KAVAEOGMLGLNKA-WOJBJXKFSA-N 444.624 2.375 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1286792516 AGBGNYBQYDLHAR-GOSISDBHSA-N 431.459 2.011 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)CC1 1286814741 FUPXOODVIPLYEK-UHFFFAOYSA-N 447.605 2.333 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1286819138 BHYIRCDBXPGRGJ-IAGOWNOFSA-N 447.561 2.327 30 10 IEEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286950264 UHWVGEPVWNSHMG-UHFFFAOYSA-N 444.543 2.455 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1286967636 FURSSSYKSIHYDD-RDJZCZTQSA-N 438.598 2.033 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3(O)CCCC3)CC2)c1C#N 1290576449 FLYJJBAQOTZEQX-UHFFFAOYSA-N 426.569 2.022 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)s1 1296332873 DCWSPBHDANNVEZ-XLIONFOSSA-N 438.546 2.176 30 10 IEEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc(OC)c1OC 1299883012 FZRSQCDTNKLGME-MRXNPFEDSA-N 440.504 2.043 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)ccc1F 1300079234 VYBNNPSIPFDLOW-AWEZNQCLSA-N 427.523 2.333 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCNC(=O)Cc1cccc(F)c1 1300467952 NQQBQGZKDRXQIV-UHFFFAOYSA-N 426.521 2.201 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1300982521 LCFIURRDJVJJCC-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300988995 MGTKOJCHWWMTCB-UHFFFAOYSA-N 425.599 2.294 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1 1301351095 JCXAPFWYZLKYTO-UHFFFAOYSA-N 438.507 2.474 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1301422667 SKQLLTUHUVELOI-UHFFFAOYSA-N 448.531 2.096 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1301438441 ACKYVIPKAFPVFF-QHCPKHFHSA-N 440.548 2.051 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301490992 BNCRXVXZCBKDFT-SFHVURJKSA-N 446.515 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CC(F)C1 1301496925 KDAARHYIYVMGHR-UHFFFAOYSA-N 425.468 2.080 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1301499157 YTCRGHPGLSGRBQ-UHFFFAOYSA-N 446.914 2.213 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CC=CCC1 1301968858 QXGYYYYXTVNCGN-LJQANCHMSA-N 435.580 2.310 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCOC(F)F)CC2)c1 1302999745 DFBRILQPKJQQEG-UHFFFAOYSA-N 428.447 2.496 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCCOC(C)C)C2 1304775064 NCTSJHZECLBPAJ-UHFFFAOYSA-N 436.520 2.464 30 10 IEEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312469613 PEEXDQDDOQUFGF-STQMWFEESA-N 442.442 2.438 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1312731853 VFMMNBADQYGOKB-BBWFWOEESA-N 437.537 2.352 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1313096381 ABFDENFFRDPYTQ-WMZOPIPTSA-N 434.541 2.078 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CCCC1 1313585423 HAXGVDIIVRSJTF-OAQYLSRUSA-N 429.546 2.135 30 10 IEEE CN(C)CCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1314671140 PYNNKWADKDVTKZ-QFIPXVFZSA-N 438.511 2.151 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ncn(C)n2)cc1Br 1315381857 CGTAGHGNUGDXDZ-LBPRGKRZSA-N 445.325 2.489 30 10 IEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)cn1 1315486094 BNCIRHXTDOFEEK-QGZVFWFLSA-N 431.500 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1358871144 AJLQWXUCSAFHDL-CHWSQXEVSA-N 445.467 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1358969822 XPBCBQWGQODTRG-AWEZNQCLSA-N 437.397 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCN(C)CC1 1358997080 DGNGCONTIJAFNX-UHFFFAOYSA-N 439.633 2.430 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1COCCO1 1359016144 REERYNCCTQOSNU-NFBKMPQASA-N 444.507 2.125 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1359054765 GPFDVIRBHKHOBM-UHFFFAOYSA-N 433.541 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359294912 IWHXEPNWONNPKS-HNNXBMFYSA-N 430.509 2.252 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359302134 XNBAVLXLBXKREP-QQMNAOGKSA-N 443.523 2.083 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1359467344 QWHBFTPZOBDEEA-NXEZZACHSA-N 448.446 2.089 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)cc1 1456063927 NNUYHRSXHKVFSF-QUCCMNQESA-N 446.511 2.368 30 10 IEEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)C1 1456808278 FGKDHMAFTNMXPK-UHFFFAOYSA-N 430.913 2.302 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCCC[C@H]3[C@H]3CCCN(C(=O)C(F)(F)F)C3)nc12 1460392496 VKUJOUMJNUNURJ-BBRMVZONSA-N 436.438 2.462 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 1467292816 KHUZJGSDIYMORF-ZLNRFVROSA-N 434.492 2.183 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1471717753 DHDCMJQIXWWVNN-GCJKJVERSA-N 429.521 2.016 30 10 IEEE COC(=O)C1(C#N)CCN([C@@H](C)C(=O)Nc2ccc(I)cc2)CC1 1473477664 XUNSQICCJVJUFT-LBPRGKRZSA-N 441.269 2.397 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 1476010851 FPRZRNFEBKLIDV-GINDCMNVSA-N 445.589 2.499 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)c1ccco1 1496848682 HPUDIUPJTMAVPA-UHFFFAOYSA-N 441.536 2.350 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)c(OC)c1 1504888479 SDZGBKFGOHDBML-INIZCTEOSA-N 432.912 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(-n2cccn2)c1 1507540213 AWUHXXCLYDEFAL-INIZCTEOSA-N 446.540 2.357 30 10 IEEE C#CCCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507561787 SOUPGKWHNAKRTM-UHFFFAOYSA-N 434.591 2.235 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1507678565 KBEMYHCBWAVYRA-QFIPXVFZSA-N 433.553 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1507740928 HRGIKBZZMYHWON-UXHICEINSA-N 442.608 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCc2ccccc21 1508131809 QJINKQQGBPEKGS-GOSISDBHSA-N 431.562 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCOC1 1508135516 IYUOZUHNTLNJNG-CQSZACIVSA-N 425.942 2.067 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508837964 CNISIQULMOHARS-HSZRJFAPSA-N 434.548 2.284 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C#N)o1 1517452091 ZUVRDDDAWFTFFQ-AWEZNQCLSA-N 438.488 2.294 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)c1OC 1537845659 ZJVBYBGZQLYRBJ-AWEZNQCLSA-N 446.366 2.431 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1539015681 VRTBQZMORVALJF-JKSUJKDBSA-N 428.541 2.027 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539140622 ALULUTQSYJABRV-BDTNDASRSA-N 444.624 2.020 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539221604 QKMLBJPYJQINQA-QGZVFWFLSA-N 431.562 2.470 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(F)(F)F)n1 1539237291 BZRYRBIKMGHQHU-FQEVSTJZSA-N 433.434 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCS(C)(=O)=O 1539305604 IOUXLDXINXGZRS-UHFFFAOYSA-N 441.376 2.277 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCOC[C@H]1OC 1539417332 DFKIJPNTYPFAJU-OXQOHEQNSA-N 434.487 2.285 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2nccs2)n1 1539424965 ZYSWTQUBNXDXCU-QGZVFWFLSA-N 427.534 2.117 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539431654 UHKHUJBNFSBOMN-UHFFFAOYSA-N 426.512 2.317 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(O)CCC2)CC1 1539436532 WBYKHBUMFQJPGN-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1539526555 QDPUUGJDSRTVIS-UHFFFAOYSA-N 444.649 2.468 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539722559 PMAKAWNBQQIIIQ-QGZVFWFLSA-N 448.568 2.210 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)CC1 1539890929 WBZJJAMTLVPDQB-OALUTQOASA-N 438.594 2.168 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1540070804 AHAQCHHKZBLKQY-OAHLLOKOSA-N 427.571 2.059 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1540187684 UFVFHCNZHVPYLK-QGZVFWFLSA-N 449.577 2.271 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540873532 AZHLCJFCSVSBGU-UHFFFAOYSA-N 432.569 2.370 30 10 IEEE C#CCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 1541028654 NYRNRPSAQHFONJ-NRFANRHFSA-N 442.537 2.476 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2nccn2C1 1541805978 BCDGAWYOZDJLHG-HOTGVXAUSA-N 438.561 2.467 30 10 IEEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1541854220 REAXNIUUBHCMOX-IKGGRYGDSA-N 434.541 2.156 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)F)C1 1541990050 XWRMAZNIKNTFBU-HXUWFJFHSA-N 443.462 2.333 30 10 IEEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1542667476 ZRLGBIICBZHNND-KTVWJZFRSA-N 449.515 2.288 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c1 1544670947 PQCWYJAFQOXTLT-NRFANRHFSA-N 435.528 2.096 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CC1 1554149237 FTFRTXXEWUDUPO-JGCGQSQUSA-N 449.540 2.345 30 10 IEEE COCC1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555364644 VSCPHYCTSVOFDE-XDOYNYLZSA-N 436.516 2.334 30 10 IEEE COCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1555497648 ZBNHRIRPCWIDOA-KRWDZBQOSA-N 434.541 2.158 30 10 IEEE C[C@@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 1558686393 QUWSSCXQQBMEIN-UXHICEINSA-N 436.350 2.121 30 10 IEEE C=CCOCCNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1565128879 LWNWMLJAGGIPBZ-UHFFFAOYSA-N 430.509 2.294 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)CC1 1568994659 ANRWBWPNNRRDIK-UHFFFAOYSA-N 449.548 2.224 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)N(C)[C@@H](C#N)C3(SC)CC3)CC2=O)cc1OC 1583141650 ZKBCVJGOBIXZNX-APWZRJJASA-N 431.558 2.341 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3cc(C#N)ccc32)o1 1583640608 DWJLNUQOFYMAOC-QGZVFWFLSA-N 443.481 2.070 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1586758405 LALWPXILELFQBK-UHFFFAOYSA-N 444.557 2.429 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1587803766 MPERXTLNAMTCAU-GOSISDBHSA-N 433.520 2.389 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1587809040 XSSIOONTVJXJLS-PKOBYXMFSA-N 430.578 2.383 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588045825 RFFRXPYXKGPWEO-SPEDKVCISA-N 445.589 2.258 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(OC)c1 1588158844 KMCOADBNNIOXNB-UHFFFAOYSA-N 449.536 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1588253773 DQLGZFHLBOOKOJ-GOSISDBHSA-N 444.532 2.284 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1588384832 CGNXTFJYRFEUNX-HSZRJFAPSA-N 436.604 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)N1CCOCC1 1588619749 DKEBNINARVSFIP-QFIPXVFZSA-N 434.544 2.433 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1588620260 QRMGGOFXZOLCLZ-UHFFFAOYSA-N 443.511 2.065 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1594449391 YCYJWDSVYRCKDW-UHFFFAOYSA-N 430.532 2.274 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1595205272 QDWYUYIJKSUULM-UHFFFAOYSA-N 447.543 2.416 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](OC)C1 1595517329 XLYQGFGFSZDYNX-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)Cc1cnn(C)c1C 1595805755 TXHFNGWFMCQDND-UHFFFAOYSA-N 442.589 2.456 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 1596382473 LUCPCJHWPWDKKE-GMAHTHKFSA-N 440.565 2.096 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1598207598 CWBVRJZTXGVTIU-GOSISDBHSA-N 445.541 2.004 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC[C@@H](CC(=O)OC)C1 1603466593 VAMSLNMKKXHUKV-VYDXJSESSA-N 435.546 2.132 30 10 IEEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCN(CCN(C)C)CC1 1612599032 HNNWIHBSGNWXQH-UHFFFAOYSA-N 436.608 2.058 30 10 IEEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1613296323 AJJJJCYYKLWNHA-LJQANCHMSA-N 448.579 2.452 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCC(=O)N2CCc3ccccc32)c1 1616354053 MKQGGQORPLISRH-UHFFFAOYSA-N 429.473 2.222 30 10 IEEE C[C@H]1CN(CCN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)O1 1623321957 BRJFQWAUTLWWAT-IDOUOTJPSA-N 434.581 2.341 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 1623365273 YFSHTAZUDRMPBF-UHFFFAOYSA-N 425.482 2.075 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1=O 1628894947 GRKLJAMQNNATSI-HXUWFJFHSA-N 436.512 2.213 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 1630039370 SDHBZWOQLBINAX-UHFFFAOYSA-N 444.465 2.271 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1630767109 YRCDQAVYFLGTJK-FQEVSTJZSA-N 443.548 2.237 30 10 IEEE C#CCN(CC(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1)C(=O)OC(C)(C)C 1632836727 QMEDVUSAKCWODC-UHFFFAOYSA-N 428.533 2.160 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1633298449 UDNASWIQBBNXOD-CQSZACIVSA-N 434.436 2.231 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)cc1 1633348186 ZYLJCSINFBMLPH-INIZCTEOSA-N 427.309 2.368 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)s1 1634920950 MXGCXSJEBBXVIA-UHFFFAOYSA-N 437.543 2.280 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)c1 1635782293 NPEORMLLEJPRHK-UHFFFAOYSA-N 425.466 2.101 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1640584907 GXRLLBYJYUDPJW-HKUYNNGSSA-N 442.516 2.053 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 1644016040 YRVOZNASEDZBNE-QGZVFWFLSA-N 425.439 2.274 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1644583381 MZVOTKGUGKDBSV-RXVVDRJESA-N 445.516 2.290 30 10 IEEE C[C@H](CC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1645507933 FBLSNXNPYRCJFQ-NJAFHUGGSA-N 427.526 2.193 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1646214306 JEJFPNYMPGDXDG-HNAYVOBHSA-N 435.546 2.101 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2=O)C1 1646409039 QRVGSFDYDRDDSI-MRXNPFEDSA-N 442.516 2.052 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1654566701 ALHWELWUEFQYEI-SFHVURJKSA-N 443.573 2.037 30 10 IEEE C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654689304 RZFRZUYQIXNQBS-HTAPYJJXSA-N 449.573 2.432 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC[C@@H](C#N)C1 1655541603 AFPANMHUYOMGPU-KRWDZBQOSA-N 433.578 2.101 30 10 IEEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)[C@@H](C)COC 1665214541 IBILSJHKALVMGC-INIZCTEOSA-N 441.550 2.161 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCn4nc(C(F)(F)F)cc4C3)C2=O)cc1 1672359088 YMIJVTLPBLYLLY-MRXNPFEDSA-N 432.406 2.100 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)nn1 1673802905 ZELIQDWESLFLSG-SCTDSRPQSA-N 448.568 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1689849938 UQYLWHWXWQIZBI-HIFRSBDPSA-N 434.342 2.127 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1689996676 LXUCMJYEJCEGJU-LJQANCHMSA-N 440.525 2.434 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(CC)C1CC1 1690013580 UZFQYSXZHWFKFB-UHFFFAOYSA-N 443.555 2.232 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1nncn1C 1690096422 SHHXVSSKOLXKBZ-UHFFFAOYSA-N 436.339 2.032 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690188448 JCHXIJJEYNYWTR-LJQANCHMSA-N 441.557 2.164 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1690245115 CVPWQMCXPRRGMU-SQNIBIBYSA-N 426.583 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1690247060 ZIBIRYSWJGKENX-RDGPPVDQSA-N 438.594 2.024 30 10 IEEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690454967 BESDQCGLZCKQHS-UHFFFAOYSA-N 428.537 2.376 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690569797 MQDHKTLZRQFGDJ-NRFANRHFSA-N 434.537 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C1 1690717274 AKSDZZWGZJXDNY-ZDUSSCGKSA-N 442.383 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1690724748 VYQHPGHVHQOUNH-IPMKNSEASA-N 434.537 2.325 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)cs1 1693349786 BVXTWLGOVGNSIX-OAHLLOKOSA-N 434.591 2.199 30 10 IEEE C[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1693705007 GWWJGFQIRPIQAS-SOLBZPMBSA-N 428.562 2.333 30 10 IEEE CCc1noc(C)c1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1694779349 UHPCWDAPNVGLOX-FUHWJXTLSA-N 443.552 2.086 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695053129 VIKKHVUSDXLZMC-OYHNWAKOSA-N 426.521 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1705495618 SFLOJIWFNBCEJC-SESVDKBCSA-N 441.601 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCOCC1(C)C 1705591537 RSMJLHSFDVKVLO-UHFFFAOYSA-N 436.516 2.427 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2OCCC2(C)C)CC1 1705647769 LFVOBQQDNGOPMV-HXUWFJFHSA-N 436.560 2.429 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705658063 AYKWJLZEEASKEG-NRFANRHFSA-N 436.585 2.495 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCCOCC)C1 1705704425 UEZMZGMYAQDWLL-YZGWKJHDSA-N 430.553 2.292 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705739211 YJUCTXRWJOKJHX-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C2CC2)C1 1705937941 JLVNWOGQWBSSQU-MRXNPFEDSA-N 449.602 2.107 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1706671479 SFMDVFDLQBABLM-QFIPXVFZSA-N 432.569 2.221 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1722361352 MHRMVBLPVXOPDH-QGZVFWFLSA-N 445.495 2.237 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722370213 APJXAAKPZLSKBR-WOJBJXKFSA-N 433.622 2.122 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1722371829 LYKGUXNVVXDXNE-QGZVFWFLSA-N 433.603 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC2(C1)OCCO2 1722385505 HJYWLXFQYJXEJP-IBGZPJMESA-N 436.512 2.482 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1722387296 DCIINAQVQAWPGZ-UHFFFAOYSA-N 446.536 2.194 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1722431012 DSQLGVQEFZKLBK-JOCHJYFZSA-N 436.604 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cnn(Cc3ccccc3)c2)CC1 1722447033 HFPQGQYRQXAOSS-UHFFFAOYSA-N 431.544 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCCCC2)CC1 1722449422 RSKLKZBPCXVPOH-UHFFFAOYSA-N 449.603 2.106 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722457021 MRCTVDKWGLHTTA-SFHVURJKSA-N 429.571 2.197 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccsc2)CC1 1722560068 PFTHLKOCDHSKTD-KDOFPFPSSA-N 425.580 2.014 30 10 IEEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722622256 KLWOQJFKBHIBPF-IAGOWNOFSA-N 444.511 2.364 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722673729 BXOUPLAGXLWLGJ-QFIPXVFZSA-N 448.589 2.389 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722692276 YLGRCGYNHYXZIE-OAHLLOKOSA-N 432.598 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 1722723894 HZLWWBWWISCSFR-MOPGFXCFSA-N 445.589 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722725284 IDPQXDGVUHWSRX-SFHVURJKSA-N 444.605 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1722737041 QRSDBSOKPBPJSQ-HSALFYBXSA-N 441.557 2.474 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1)[C@H]1CCSC1 1729369274 HMNFMUBBKAMZGI-KRWDZBQOSA-N 426.546 2.197 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740583136 VSBFRSPWUGXAFL-FUHWJXTLSA-N 432.546 2.002 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccsc1 1740653204 DLQLSLJPXNJJPB-JOCHJYFZSA-N 437.525 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)nn(C)c1C 1740659380 YETSOJBLGLOMIL-UHFFFAOYSA-N 435.557 2.131 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(n2)CCCC3)CC1 1740690628 KUWYSLUSZATUAL-IBGZPJMESA-N 438.576 2.079 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1740710039 PFCOOOIPTQHRAU-UHFFFAOYSA-N 428.518 2.425 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740710042 PGTHDHGKLZYDCC-SFHVURJKSA-N 430.622 2.191 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2)CC1 1740710473 XQUSRWKYSJBJBN-SFTDATJTSA-N 437.544 2.016 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740786789 OLXQIJCQZWMYCN-QGZVFWFLSA-N 441.536 2.013 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccsc2)CC1 1740833939 ZLYCDLFZFXTPHQ-IFXJQAMLSA-N 439.607 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCSC2(CCOCC2)C1 1740955719 DSCZKQRAWFJWNC-UHFFFAOYSA-N 443.573 2.358 30 10 IEEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CCO2)c1 1742492589 ALZCVDQPVFIKAR-HXUWFJFHSA-N 435.532 2.388 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1748697420 HUJYODHKFIILIE-UHFFFAOYSA-N 439.520 2.455 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)Cc1cnn(C)c1 1748707017 YFJBAFHKAIUFSB-UHFFFAOYSA-N 430.520 2.484 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748811147 CHEMBWIVPWAWBI-AZUAARDMSA-N 447.605 2.362 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCNS(=O)(=O)CC 1749072986 BIKWTTOBPSCRND-JOCHJYFZSA-N 445.589 2.405 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1749561015 YYZQUPADERCQMV-UHFFFAOYSA-N 426.912 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749658958 ZQBFKSYALZWDAM-MRXNPFEDSA-N 439.907 2.348 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749671016 XVCZXGADWBVJEO-RTBURBONSA-N 441.532 2.344 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1749689328 HGRVMLZOMPGDFC-LJQANCHMSA-N 449.559 2.420 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)C1 1749717593 MWEXWDIOBYPBAE-AUSIDOKSSA-N 425.533 2.159 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(C)=O)c2)C1 1749717627 NNVCSTYKPKBSQJ-FQEVSTJZSA-N 438.532 2.189 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)CC1 1749888313 GZHQWZVXXOZRCV-QGZVFWFLSA-N 443.983 2.425 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1760099826 MDBRVATZNFVUQX-MIZPHKNDSA-N 433.597 2.133 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNC(=O)c1cc[nH]n1 1760196253 GWBXUHRSMSMBOD-INIZCTEOSA-N 447.568 2.357 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1760214971 KCIZTQOKXMBSSD-UHFFFAOYSA-N 449.555 2.290 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760234478 XFKLWZYOPFEACA-QGZVFWFLSA-N 432.546 2.114 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760283268 ICIGQBHXKGJPAY-SFHVURJKSA-N 428.587 2.399 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760321591 IIWWMSISEROTKM-FUDKSRODSA-N 446.640 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1CCOCC1 1760323969 HXUZCPDBAMRYJC-RXVVDRJESA-N 446.621 2.383 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1760334454 ASTKFSPJQQXWHS-UHFFFAOYSA-N 433.520 2.369 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CC2)C1 1760547097 DAORKHUCGJBXHW-BBWFWOEESA-N 433.553 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2CCCC[C@H]2C1 1760557487 NBNCORGDSKWHJQ-NRFANRHFSA-N 443.617 2.339 30 10 IEEE C=CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568686 PLIUVPUFXVOTDD-LAUBAEHRSA-N 435.594 2.049 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)CCS(C)(=O)=O)s1 1762830211 BVYLYOYQONSDGQ-UHFFFAOYSA-N 445.574 2.150 30 10 IEEE CC[C@H]1CCCCN1CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1763321778 BDFIVZIJFOJRHU-IBGZPJMESA-N 425.585 2.091 30 10 IEEE CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1764253195 BIOUELSJOXGNJD-RBUKOAKNSA-N 425.537 2.190 30 10 IEEE CCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1764398177 BXPHBAVLXRYSFM-JOCHJYFZSA-N 425.537 2.322 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1765452945 FXZVTHBLVBTURL-WOJBJXKFSA-N 442.589 2.314 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CC1=O 1767525987 DEKFZWHXNIORBR-OAQYLSRUSA-N 426.546 2.293 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1769124483 DWQQEMUPCXDRNG-RBUKOAKNSA-N 440.548 2.219 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCSC(F)(F)F)cc1 1770740005 GELBSWFRKORPCZ-CQSZACIVSA-N 437.451 2.284 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1771344062 BILBWKJIMXQUFP-LJQANCHMSA-N 431.562 2.383 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1771533959 HIQWPHMPVBJOPU-MRXNPFEDSA-N 444.517 2.418 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(CCOc3ccc(C#N)cc3)CC2)cc1F 1850593015 GFHKIPPDANUEAU-UHFFFAOYSA-N 436.491 2.483 30 10 IEEE Cc1cccc(C)c1N1C[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC1=O 1852018101 YPKMKAALBGZFRS-NRFANRHFSA-N 447.539 2.288 30 10 IEEE COc1cccc2sc(N3CCN([C@@H]4CCCCN(C(=O)CC#N)C4=O)CC3)nc12 1855722881 GELYWWYIDYKTDJ-OAHLLOKOSA-N 427.530 2.248 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc1OC 1862746096 YTFSGWJMSZCHQF-GOSISDBHSA-N 428.397 2.183 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1Cc1ccccn1 1870672256 SFRHOAXQROGFII-UHFFFAOYSA-N 441.528 2.424 30 10 IEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccnc1 1874339008 FROUDRWFQDXWDE-RSFOSLOZSA-N 430.534 2.325 30 10 IEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875228104 ZRUBMOKDCYLJKG-UHFFFAOYSA-N 448.527 2.180 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)CC1 1891433608 KQDPSTIVMGZGDE-UHFFFAOYSA-N 446.504 2.359 30 10 IEEE C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 2010126955 MNGUBOPKGCFYSR-HUUCEWRRSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2010516297 JPSOOAUYHFCJLV-PMACEKPBSA-N 428.533 2.295 30 10 IEEE CC(C)(C#CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)NC(=O)OC(C)(C)C 2023919447 WLNNFTWXFUYADR-HZPDHXFCSA-N 439.553 2.027 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@H]4OCCO[C@@H]4C3)c(Br)c2)OC1(C)C 2172786684 VEFQGVNOWZSPGN-HUUCEWRRSA-N 425.132 2.137 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229108061 RPCHDWBDINUFRU-ZBFHGGJFSA-N 425.323 2.385 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2235723587 ULTOBXNYQKAABS-UWVAXJGDSA-N 439.350 2.433 30 10 IEEE C=C(Br)CS(=O)(=O)N(CCCN(C)C)CCNC(=O)OC(C)(C)C 2247181381 QNGUDEXVIRDTQE-UHFFFAOYSA-N 428.393 2.003 30 10 IEEE C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248405410 UHLWHQHNVCBBRJ-GXTWGEPZSA-N 440.371 2.110 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2249674097 CBDLVHWTAXFISJ-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828810 XHVYKKXUYTYMLM-QWHCGFSZSA-N 436.362 2.059 30 10 IEEE CC[C@@H](CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255834114 KUUAPPRFUKSKMY-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870851 PIFAUHDOFJBTMY-CABCVRRESA-N 431.342 2.271 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2256674511 KMURFYDOSQNTCT-OAHLLOKOSA-N 434.342 2.366 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267132527 QUYODKJTNGTEFS-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE CCc1nn(C)c(C(=O)NC[C@@H]2CCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267141746 MHOMGNBXJROREK-SFHVURJKSA-N 438.381 2.286 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267274133 WCNRMTWBEXYKLW-CRAIPNDOSA-N 443.353 2.462 30 10 IEEE CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267513668 QAZDYWLZYMOBEY-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CO[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)N(C(=O)OC(C)(C)C)C1 2267563318 NUXCYHNHLXPWNL-HZPDHXFCSA-N 449.357 2.068 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2267587505 YEXULROLZLTCFK-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267588501 MPGVCZKPFUZSIH-UXLLHSPISA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267590187 LLESMORAPDGGCT-KRWDZBQOSA-N 449.332 2.316 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267729211 HIJIUSSYEZZYAE-LJQANCHMSA-N 441.333 2.341 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268633977 VKMDIYQDRIRDKE-KBXCAEBGSA-N 446.353 2.102 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268717099 QSTXODBHIVBGIJ-HZPDHXFCSA-N 447.341 2.201 30 10 IEEE C#Cc1cccc(N[C@@H]2N=CN=C3C=C(OC)C(NC(=O)N4C[C@H]5CCN(C)[C@H]5C4)=C[C@H]32)c1 2295038598 HJXSISWJKLMCHI-ZNMLIKKZSA-N 444.539 2.278 30 10 IEEE CCOc1ccc(C(=O)C=C(O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 2297341429 GNVGQGQBSXWFTB-UHFFFAOYSA-N 432.454 2.173 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)[nH]1 2315394970 ZACRTRIJDMVSLA-CQSZACIVSA-N 427.276 2.324 30 10 IEEE CCOc1cc(C=NN=c2nnc(-c3ccc(OC)cc3)c(O)[nH]2)cc([N+](=O)[O-])c1OC 2323288869 ODZZERADAJSSLZ-UHFFFAOYSA-N 440.416 2.436 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2328369201 DWWMGLFTUXZSAQ-UHFFFAOYSA-N 442.457 2.234 30 10 IEEE COC(=O)c1ccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329045156 PQYZUBVNPROMDG-KRWDZBQOSA-N 445.545 2.146 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2cccc(OC)c2)cc1 2330268300 UVSFLUUUVVNKMB-UHFFFAOYSA-N 428.466 2.073 30 10 IEEE Cc1cc(CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652154 YWTMQUQPGJHKRC-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE C=CCNC(=O)N1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)nc(N(C)C)c2C1 34678663 BJZQEILPMAMBHX-UHFFFAOYSA-N 439.539 2.262 30 10 IEEE COc1ccc(CN2C(=NC(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254407670 UFZNPJUDDKYVGL-PBHICJAKSA-N 426.560 2.347 30 10 IEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F)c1ccc2c(c1)OCO2 254863402 OXCLQDOIDOJOCU-PBHICJAKSA-N 434.470 2.470 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@]2(CCO[C@H](C)C2)O1 430286200 XADBWHVQRLNJER-VQQMMKBISA-N 432.590 2.115 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCC(C#N)CC1 442983128 NGZUHQOUBSTOJK-JTTJXQCZSA-N 439.965 2.319 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C1CC1 460808886 KEPLMZHKXKTEAA-QGZVFWFLSA-N 437.591 2.418 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CNC(=O)c2ccc(Br)s2)cn1 461865417 MELVXSMNMYXQHP-UHFFFAOYSA-N 431.275 2.331 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)c1 465187297 UJGGESUETLTTHC-QZTJIDSGSA-N 435.532 2.246 30 10 IEEE N#Cc1ncccc1OCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 477031636 ACPILQANIZTQNB-UHFFFAOYSA-N 447.417 2.134 30 10 IEEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)C1 505864868 RXNVXHIDLGUPOW-QZTJIDSGSA-N 426.536 2.378 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508800667 HDDOGXHTSKSYNY-OAQYLSRUSA-N 432.546 2.309 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 508816915 LLRVYMMZWFMIFW-MRXNPFEDSA-N 432.956 2.204 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)OC)C1 508840148 JQXQJDMDJFGWDE-HNNXBMFYSA-N 432.550 2.122 30 10 IEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508933662 YVSVQAQZPVKSMN-KRWDZBQOSA-N 436.520 2.192 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)ccc1Cl 520027987 FPZTZQOIXUPQLU-UHFFFAOYSA-N 434.326 2.122 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(Cc3nccn3C)CC2)n(Cc2ccco2)c1C 532956996 JNJPVXSGEXBPCI-UHFFFAOYSA-N 435.532 2.108 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 537906968 ZZTWCNFIGPMQGS-GFCCVEGCSA-N 431.399 2.243 30 10 IEEE Cc1ccsc1[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 538888760 RNPPUKSJABECSU-SFHVURJKSA-N 433.555 2.179 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1Cc1ccccc1 539769827 RBAKGNUGVBBLQK-UHFFFAOYSA-N 435.524 2.435 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccc1 549220327 VTHRUZYLBHFUIF-LJQANCHMSA-N 433.578 2.256 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cn(Cc4ccccc4)nn3)C2=O)cc1 549327886 RPRWRTNNQMBSAT-SFHVURJKSA-N 429.440 2.042 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 561305312 NXXFAXJFWIOUKX-UHFFFAOYSA-N 434.493 2.396 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 564078243 YYLGKOULRXXIGE-UHFFFAOYSA-N 430.530 2.167 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C#N 604002789 ZRHFBCMOTRREBI-UHFFFAOYSA-N 442.544 2.498 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c1 619749795 MRMJAAYFFDWMMX-UHFFFAOYSA-N 425.507 2.206 30 10 IEEE CS(=O)(=O)O[C@H]1C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 720717757 WHZICJOGGKVTAB-ORAYPTAESA-N 431.466 2.439 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)ccc1OC 733276867 HQJGQYXVOTXTRD-GOEBONIOSA-N 449.504 2.498 30 10 IEEE COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c(OC(F)F)c1 747496044 YLCOOCAIZCLXDP-UHFFFAOYSA-N 433.367 2.210 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)CCN1C1CC1 756779957 MIMJIKBHCWULSE-QGZVFWFLSA-N 446.433 2.087 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Cl)cc1Br 767080541 HFEPOTSAXBNQBS-ZDUSSCGKSA-N 440.768 2.055 30 10 IEEE COc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)c(NS(=O)(=O)C(F)F)c1 769627655 VYPHURHNYPJHKW-UHFFFAOYSA-N 449.457 2.357 30 10 IEEE CCOC(=O)CON=C(C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21)c1cc[nH]n1 772588090 QFDDJRDMAAHXCH-XIRDDKMYSA-N 448.520 2.195 30 10 IEEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 773579443 YVTLONSBIAGKNA-GOEBONIOSA-N 430.509 2.122 30 10 IEEE Cn1nnc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)n1 782982404 UOLVTFPWALONPZ-QGZVFWFLSA-N 446.496 2.242 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790841394 FJIMRYFWEXJHRM-AWEZNQCLSA-N 445.339 2.004 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C[C@H]2CCCC[C@H]21 793195167 HLZMFXGULBCSPH-NXHRZFHOSA-N 445.541 2.218 30 10 IEEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(CCCSC)c2=O)cn1 793466905 BZJSEOPFLMAHOK-UHFFFAOYSA-N 449.561 2.155 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](C(F)F)C2)cc1[N+](=O)[O-] 801009896 CCOMTEFLKJZYJZ-INIZCTEOSA-N 435.387 2.487 30 10 IEEE COC(=O)c1c(F)ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1F 802805281 LLSAUUNDNUTTDG-UHFFFAOYSA-N 438.383 2.299 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 805036631 MDJKKZXKYZFVMB-DOMZBBRYSA-N 441.303 2.427 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2ccc(=O)n(C)c2)no1 809478596 QETYUUOQOJBMBP-OAHLLOKOSA-N 427.486 2.405 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 809885205 CJBADCQMVXXNFH-KSZLIROESA-N 449.552 2.157 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)Cc3ccc(Br)cc3C#N)C2)n1 856713955 COECVZCJKRVCGU-LJQANCHMSA-N 433.306 2.405 30 10 IEEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)C1 1116538835 CDURZUYYYZGGHK-YVHKJVDXSA-N 436.553 2.226 30 10 IEEE C=CCN(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1128110958 HDQRIVFDQXJOGN-FQEVSTJZSA-N 436.574 2.237 30 10 IEEE O=C(NCCS(=O)(=O)CC(F)(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 1130659982 OVTNWXRDEZOLAW-UHFFFAOYSA-N 426.310 2.068 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc2n(c1C#N)CCOC2 1134818173 RGLCQWYGHZZDIN-UHFFFAOYSA-N 429.502 2.020 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1151648279 PITRVZIVESQBDJ-GOSISDBHSA-N 433.461 2.366 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3nc(O)n[nH]3)ccc2C)s1 1155260691 QHNPGAIEGIZKBK-UHFFFAOYSA-N 433.515 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@@H](O)c4cccc(C#N)c4)C3)[C@@H]2C1 1175639345 WWYMTGBJCKLCAR-WTGUMLROSA-N 442.516 2.106 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NCc2c(I)cnn2C)cc1 1179549874 JCRGNTKASMECSO-UHFFFAOYSA-N 446.314 2.443 30 10 IEEE COC(=O)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)Oc1ccc(Br)cc1 1215361046 AJCNNRWHRWAEDG-CQSZACIVSA-N 436.266 2.301 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 1228177662 IAOFNIBQXPVGRJ-IBGZPJMESA-N 428.512 2.209 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)cc1 1228794794 AGXATBIARFTEDA-NRFANRHFSA-N 428.510 2.385 30 10 IEEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1)C1CCOCC1 1253347298 BXSGOABXRGIWFN-NSHGMRRFSA-N 430.549 2.305 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1286316092 QXEDIPAYGACFGZ-QGZVFWFLSA-N 431.562 2.224 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1286394198 NUJRVGSRXYVHNL-RTWAWAEBSA-N 442.585 2.268 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286440074 MIUDTXVRFYIKOM-KRWDZBQOSA-N 438.557 2.234 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(Cc2ccccc2)CC1 1286466721 JANIYBYHIANNCK-FQEVSTJZSA-N 442.585 2.289 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286470125 QETNLUZKGYZCSW-FGZHOGPDSA-N 439.560 2.117 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)nc2)CC1 1286487904 RJAIXCYXOIANCE-UHFFFAOYSA-N 447.543 2.322 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286612934 ZPHBNXKIVOQXFB-LJQANCHMSA-N 443.523 2.476 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1286719702 BQHWQENXMPIKCP-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCOCC1 1286725032 OUNAEWOOGKRTCS-UHFFFAOYSA-N 440.596 2.185 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1286768719 FJCORSQKARAKES-KRWDZBQOSA-N 446.556 2.166 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286792353 VKQZJHWSZMZOQI-QZTJIDSGSA-N 442.564 2.087 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1Cc1ccc(C#N)o1 1288048596 XSJIGKDRVUSEOI-UHFFFAOYSA-N 445.487 2.146 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1 1289917241 KGFBWUDBERMOFX-KNQAVFIVSA-N 441.509 2.291 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCOC(C)C)CC2)c1C#N 1290578281 XRVMHLWOJRACIG-UHFFFAOYSA-N 437.552 2.329 30 10 IEEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1293408984 AOIIWIUEGCNWAB-QGZVFWFLSA-N 446.577 2.247 30 10 IEEE CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1293594195 IHQUGKQEYUXPTM-ZWKOTPCHSA-N 428.537 2.232 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(F)CCC2)CC1 1296289017 PVUREFFEMOGOKU-UHFFFAOYSA-N 439.539 2.357 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCOC1 1298133049 KKSQCHRJMDQDPQ-OALUTQOASA-N 446.502 2.398 30 10 IEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCCc2ccccc2)cn1 1298809314 FNXKFCDQQFNQEF-UHFFFAOYSA-N 432.532 2.168 30 10 IEEE Cn1nncc1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1298910718 AQRGSGPNLCWAJI-UHFFFAOYSA-N 433.564 2.237 30 10 IEEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1300341144 DGLAOCHBYSOBGV-APWZRJJASA-N 429.496 2.312 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C(C)C)N1CCOCC1 1300465444 NGSLALHLAXHREQ-NQIIRXRSSA-N 425.533 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300586640 GVWHHRJXRNQLAH-UHFFFAOYSA-N 447.564 2.320 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1300901007 VLSUPKZTVJSPKV-IAGOWNOFSA-N 435.598 2.373 30 10 IEEE COc1cc(C(=O)NCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc(OC)c1OC 1301181479 LAFUKLBXUVKAPK-UHFFFAOYSA-N 438.484 2.115 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301187786 YNLQMWVCZMKKPB-SFHVURJKSA-N 443.552 2.195 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1301399288 JRKFSVPUMPEDFS-UHFFFAOYSA-N 430.574 2.330 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1301401934 HPNPXOCUXHISAF-AZUAARDMSA-N 431.606 2.365 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 1301554842 OGTFGPMOJZFIBD-VAMGGRTRSA-N 442.539 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301576507 WETNINIGQALSMH-VQTJNVASSA-N 441.557 2.423 30 10 IEEE O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC#C[C@@H]1CCCCO1 1305003189 VMEHBJSVLNFQCU-INIZCTEOSA-N 432.464 2.453 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@H]1CCCO1 1314728754 FAOVQLVZCIPCDZ-WOJBJXKFSA-N 438.532 2.323 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1316209058 JLWGAOCHWSYRSL-AHRSYUTCSA-N 446.527 2.173 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1cccc(F)c1 1316210035 NKQHKJAGMRBSFC-GPMSIDNRSA-N 433.484 2.337 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CC2CCS(=O)(=O)CC2)c1 1316530556 WSMXJJVGEZMYAJ-UHFFFAOYSA-N 443.573 2.383 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCOCC1 1358875304 NCYCYRFUGIVFQM-HUUCEWRRSA-N 435.370 2.462 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)NC)CC1 1358907977 HXNGKYKPYHXXLF-UHFFFAOYSA-N 447.547 2.077 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1358929494 BDBIGUBNYOBTNT-QGZVFWFLSA-N 425.537 2.465 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCc1n[nH]c(C)n1 1358953057 JVGQVDYIDVBCHF-UHFFFAOYSA-N 430.310 2.358 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1359034487 SAWQVJURACLLHV-HXUWFJFHSA-N 436.564 2.110 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359132281 SCHRVWWTKQNYBQ-SFTDATJTSA-N 432.613 2.329 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)COCCO1 1359278679 CFMOJWZSYSYJMH-GOSISDBHSA-N 440.342 2.480 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 1359322354 UHYFYXLAJDLAON-DCXXXQMHSA-N 438.594 2.309 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1438407987 DCBRLXQJLMSQDF-JTAQYXEDSA-N 426.517 2.001 30 10 IEEE N#C[C@@]12CN(C(=O)COc3ccc4ccccc4c3Br)C[C@H]1CS(=O)(=O)C2 1439614742 VFUIMNVJOOUJRE-LIRRHRJNSA-N 449.326 2.378 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cccs1)C1(CO)CCC1 1452428314 HRPZYHDGOKFUSI-KDOFPFPSSA-N 433.555 2.307 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)C1 1464495223 JRROHVSPVNELJI-AWEZNQCLSA-N 440.363 2.100 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)c(C#N)c2N)cc1 1465599858 KZAVOYQAPXBCBV-SJORKVTESA-N 437.422 2.030 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 1467899167 NWBJYEVXKZHAMD-UHFFFAOYSA-N 428.470 2.303 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)N[C@@H]4CCN(CC(F)(F)F)C4)CC3)n[nH]2)cc1 1468368538 DCVLJQHOVMSAMM-QGZVFWFLSA-N 447.465 2.417 30 10 IEEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CCO2)n1 1492759531 GOZHXCWRWPQVDQ-UGKGYDQZSA-N 448.575 2.486 30 10 IEEE COc1ccc(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504219977 FUPATIDSMDISRG-PXNSSMCTSA-N 438.532 2.130 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)(F)F)CCN1C1CC1 1505322255 KWFJKQNBVNKWJV-HOCLYGCPSA-N 428.459 2.275 30 10 IEEE C#CCCCCn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507573177 COBLYLBWLUNOHI-CALCHBBNSA-N 430.553 2.179 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1nc(CCOC)no1 1507579696 DXEXMZGUTWXMHK-UHFFFAOYSA-N 438.488 2.338 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507847887 RPQFVTAVXWZEJP-GOSISDBHSA-N 426.521 2.046 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2F)CC1 1507848310 WKJAHBDFLVXBOV-UHFFFAOYSA-N 442.539 2.459 30 10 IEEE C=C(C)COCCn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1507849087 UXHQWDPLOYVIKM-UYAOXDASSA-N 432.613 2.157 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507884989 PAUKLYZYFJCLFA-IBGZPJMESA-N 425.533 2.454 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1508037350 BHRYFLGSSRPSMV-GOSISDBHSA-N 439.626 2.084 30 10 IEEE CC(C)Cc1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509181237 AYWBEIRSAXSITB-SHQVNNEXSA-N 428.537 2.010 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1509951223 XCEICMODICNCEQ-IRXDYDNUSA-N 436.557 2.487 30 10 IEEE CC(F)(F)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1510133004 FTRXHTLSZZLNQR-UHFFFAOYSA-N 425.447 2.374 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(c2ccccc2)CC1 1510187963 BCYFWWHSHAMDAY-QRWLVFNGSA-N 432.525 2.062 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1512726619 DNEGKNMEPFZNOF-OHOGDBNVSA-N 426.521 2.462 30 10 IEEE CCCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1515118464 YCMTYSJNFYSNCI-UHFFFAOYSA-N 436.564 2.130 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)C1 1517662668 PNVYLIZOWFYDQP-VQTJNVASSA-N 439.516 2.402 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1521162594 VKFONXVYXSBMBA-MSOLQXFVSA-N 437.454 2.465 30 10 IEEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCOCC1 1532708139 YHAZMMKZBIRQNB-UHFFFAOYSA-N 432.464 2.310 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1539417552 LUDPTAKZDOUWSU-UHFFFAOYSA-N 442.527 2.492 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(C)noc2C)CC1 1539461301 DNCGDXGEYMDPPB-UHFFFAOYSA-N 436.516 2.274 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1539513220 LZAHKTSLIRFQAQ-HXUWFJFHSA-N 433.541 2.495 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1539519391 FSGUXKIAMNWRDJ-KRWDZBQOSA-N 432.619 2.353 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1539602935 DNIMOFGLUCUFAD-OAHLLOKOSA-N 428.294 2.154 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539752765 ZHLXYEPRAOUYMI-QHCPKHFHSA-N 437.548 2.342 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CCC)C(=O)C1 1540033474 JIFKEWFVIDCAOK-UHFFFAOYSA-N 444.536 2.047 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)s1 1540563736 QFOMJBLUZKDGMY-UHFFFAOYSA-N 448.570 2.093 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC2(CCC2)C1 1540862162 TYNSRULLSZSUNM-UHFFFAOYSA-N 438.532 2.209 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2nncn2CC)C1 1540897004 YHVVSNQOSZOIGL-MRXNPFEDSA-N 427.484 2.437 30 10 IEEE N#CC1(CC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCOCC1 1543459885 CDPRPWRRRRCFHG-UHFFFAOYSA-N 426.561 2.184 30 10 IEEE N#Cc1cc(Cl)ncc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1543488534 CCYXXFFPOWBPAD-UHFFFAOYSA-N 429.889 2.406 30 10 IEEE C[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1544204637 QWXUOZRKGSXTCT-DPHDRGAJSA-N 437.460 2.368 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)OC 1555248970 JPAPQLCWBZBMFI-WOJBJXKFSA-N 440.548 2.219 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1557125320 DVFXVICULFCAMO-SFHVURJKSA-N 438.569 2.269 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cccc(CC#N)c4)C3)[C@@H]2C1 1558066467 SPGDGISQCYEPBO-QRVBRYPASA-N 440.500 2.407 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1587975234 SVCYLDQRTRXJDK-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1588034605 JALBKWGXEKFBON-ZDUSSCGKSA-N 429.365 2.086 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([S@](C)=O)CCC2)CC1 1588780080 GUCYBIMDIBULOT-LJAQVGFWSA-N 432.981 2.050 30 10 IEEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)CCO2)O1 1594717732 QDDBVWZRJYFOMR-HOTGVXAUSA-N 425.279 2.078 30 10 IEEE C=CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1594773360 ARHBBNXSLQZXFJ-QHCPKHFHSA-N 437.548 2.490 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1594943294 NGGJZJHJNURPIX-QGZVFWFLSA-N 435.532 2.073 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H]1C 1595260732 LXCBODNBAIHUIE-NJAFHUGGSA-N 435.550 2.020 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(c2ccccc2CO)CC1 1595556516 WHSQQCNKZNALTA-UHFFFAOYSA-N 446.555 2.442 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1596702476 AKSZGYYEAVBWIG-UHFFFAOYSA-N 438.532 2.465 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1611625046 DVSQRHANDOZGOQ-JLTOFOAXSA-N 430.488 2.338 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1613132313 OADDCZMGVQOOOK-XLNTUCKNSA-N 441.532 2.238 30 10 IEEE Cn1ncc(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)n1 1618486547 CWYWNQGIYUDMHC-KRWDZBQOSA-N 444.446 2.037 30 10 IEEE COCCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1619836947 QLKLYMYXJQDLGF-IBGZPJMESA-N 432.956 2.219 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)nc1 1620474395 KBXIFJPPDSHQIV-SJLPKXTDSA-N 436.331 2.297 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)c1ccc(F)cc1 1622167767 OLWMVRXJCRQZLO-CQSZACIVSA-N 429.242 2.479 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC(C)(C)Cc2ccc(C#N)cc2)C1=O 1626452806 FUHQPPKFNAREBS-DEOSSOPVSA-N 434.496 2.471 30 10 IEEE C[C@@H](CN1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1630498012 FYQDLWXXMMGRKN-OLRQPGBRSA-N 436.578 2.186 30 10 IEEE CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1632252797 DRJIFSFHAKZBEZ-SFHVURJKSA-N 440.573 2.245 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC(c4ncc(Br)cn4)C3)CC2=O)cc1 1632756868 KRJSICIUODUZDA-ZDUSSCGKSA-N 426.274 2.090 30 10 IEEE CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919367 ZBOHEWYDHOTWRY-NHCUHLMSSA-N 447.495 2.326 30 10 IEEE CC(C)(C)OC(=O)CC1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 1635701276 MJFLTWFXFZEWHC-LJQANCHMSA-N 441.528 2.304 30 10 IEEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccc(OC)cc2)ccc1Cl 1636623800 URROEDMJOUAKQA-HNNXBMFYSA-N 448.928 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CCC2)C1 1637929495 YGVKNQNGAUTPOC-KRWDZBQOSA-N 442.516 2.085 30 10 IEEE C=CCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)o1)[C@@H](Cc1ccccc1)C(=O)OCC 1638617723 PEHRVDSZTLXHEF-AWEZNQCLSA-N 440.905 2.383 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1649543886 RTPZMUVJDGAYEG-HNNXBMFYSA-N 435.550 2.376 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1 1651801846 KTTUQBXCCLOSRD-GOSISDBHSA-N 433.574 2.087 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 1653725529 IMXVPFLYMSJTJW-GFCCVEGCSA-N 426.329 2.093 30 10 IEEE C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654688661 CAGISBTXECBUBN-HTAPYJJXSA-N 449.573 2.432 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](C2CCOCC2)C2(CO)CCC2)CC1 1654811200 FMCYDJNXDWQIGZ-SIKLNZKXSA-N 446.617 2.004 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@@H](CCO)C2)n(Cc2ccc(F)cc2)c1C 1655116891 QPRCBNORVNUWGR-OALUTQOASA-N 428.508 2.025 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OC 1663616635 NUUSYCHZKBLZOG-SECBINFHSA-N 426.310 2.083 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OC 1665547929 FJFSKRHFJXTFOO-CYBMUJFWSA-N 429.438 2.156 30 10 IEEE C=CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1670971668 QOZQWBVSNUAADI-OLZOCXBDSA-N 443.488 2.217 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCOCC1 1689916236 DIKKRXCZBICWLU-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccc(F)c1)N(C)C 1690003115 DKJJEZKCLFIAAT-URXFXBBRSA-N 439.535 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(OC)CCOC1 1690035946 OUHVQUFNKJQMHK-LJQANCHMSA-N 432.322 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-n1cccn1 1690052565 LFSUYTYDQMZEJQ-UHFFFAOYSA-N 427.512 2.097 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCOCC1 1690073915 KZURFXXMGKQYGK-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1690133368 DUYUQKNHJZMAJL-UHFFFAOYSA-N 433.940 2.289 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1690260625 RCXNNHYKWJNSPL-UHFFFAOYSA-N 440.548 2.240 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690511000 MDVWNKHQZCTPIP-HSZRJFAPSA-N 444.580 2.418 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1690678449 WLBPMFJGJHTYCP-CVEARBPZSA-N 431.541 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690730163 YZNFEUNRPRWQQX-MJGOQNOKSA-N 448.589 2.227 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1692558517 GBEJBEBZUHNUAS-UHFFFAOYSA-N 445.531 2.212 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1692578029 BSXILUOCDNWQMV-MQNAVGNWSA-N 444.580 2.363 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCOC1 1696646764 FVLQXTDCRIUIBY-KRWDZBQOSA-N 426.521 2.116 30 10 IEEE CO[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1697143581 DUJIBHVSZSNQJA-ROUUACIJSA-N 433.472 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1705477187 KELFZCPNVRMSCA-UONOGXRCSA-N 425.942 2.079 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CC)C1 1705479742 OHNFGZMTOMJSFM-SJLPKXTDSA-N 443.621 2.346 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705483120 NXIXWLRYPPEHHI-NQIIRXRSSA-N 433.560 2.217 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1705490855 SCKQPJHZHYEKLF-MKTHODDLSA-N 440.573 2.292 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705543732 QFWJGKHHGRKRLN-HXUWFJFHSA-N 425.533 2.229 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705546824 NNJARIYKCPTDCU-AWEZNQCLSA-N 428.846 2.326 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1705559742 FNSIUPZOJHVMQD-IBGZPJMESA-N 442.589 2.072 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CCC(C)C)CC1 1705635070 QDTKMQJKFFMOHF-DNQXCXABSA-N 447.624 2.261 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1705642600 ZZAHYRBHVMDMBQ-NRFANRHFSA-N 447.587 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1705648018 NJWWHIHLQQAONY-NTKDMRAZSA-N 443.592 2.079 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CCN(C)C2=O)CC1 1705651602 CJYJONNTKFSCLP-UHFFFAOYSA-N 446.621 2.012 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705666603 WPAZZAZDBMQWLX-UHFFFAOYSA-N 429.521 2.174 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC)C1 1705685718 HQZKAZVVLVPMNY-CABCVRRESA-N 425.375 2.306 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705890272 HJOGQJLYXKCVJU-HXUWFJFHSA-N 430.597 2.129 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H](C)C(=O)NC 1705896183 DQBBFZAYBCLNLQ-GJZGRUSLSA-N 444.605 2.252 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705900084 PPGQJPKEEKCSBF-UHFFFAOYSA-N 449.515 2.034 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705907526 PGULZRZMSRGDSR-MOPGFXCFSA-N 441.580 2.226 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC=CO2)C1 1706177359 AWHJXNBMMDVMSV-XDNAFOTISA-N 444.536 2.470 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1712102508 YDIZVTDBPLXRNA-KBXCAEBGSA-N 426.521 2.162 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(OC)c2)CC1 1722450760 QFIOEHFAUILVCE-OAQYLSRUSA-N 437.544 2.347 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722462930 UKAMJZJYSFBXSZ-IBGZPJMESA-N 448.614 2.464 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1722612339 QYLNEZAORCLIMD-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722699154 RWNDXDUBLNWRGB-SFHVURJKSA-N 436.516 2.004 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722701050 DOWADAAXUAZYPS-QFIPXVFZSA-N 441.532 2.470 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(C(C)=O)CC2)C1 1722719813 AEFRVGBINWICRX-NRFANRHFSA-N 441.580 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1722731766 RGNOAJREGLTRQV-XLIONFOSSA-N 426.583 2.013 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1728760848 HVGZOGYEJJZNFS-YCRPNKLZSA-N 430.484 2.304 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1729223929 ABWCNNUJHMLDMG-UHFFFAOYSA-N 439.545 2.253 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1730274732 BKELJDMCKKAHGN-GBESFXJTSA-N 440.548 2.182 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)CC2)n1 1730342728 VCYAPVLQYCPEED-UHFFFAOYSA-N 448.531 2.367 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCCC2)C1 1730998000 GAGRIIUDRNMERF-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1740575602 UKRGFBWSJPDJII-KRWDZBQOSA-N 449.602 2.039 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OCC)c1ccccc1 1740639039 ROQUPNMLSCCDCJ-WOJBJXKFSA-N 426.542 2.031 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1740790714 WQNHJFQGXZSORN-KRWDZBQOSA-N 441.532 2.366 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCS(=O)(=O)c2ccccc2)CC1 1740827878 NRMXSMRNSMJXCI-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1)C1CC1 1740908072 JXAVYFPWNZQBGR-UHFFFAOYSA-N 445.325 2.344 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1740931741 BHRSZXIQUCFUAX-GOSISDBHSA-N 447.630 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](COC)C1 1740990777 ZKEYFSWSJIBNNN-INIZCTEOSA-N 429.546 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 1740994954 WXHHHPRBGHWTKV-SFHVURJKSA-N 433.582 2.045 30 10 IEEE C=CCSCCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740996834 RWDGNERZHUAJOL-UHFFFAOYSA-N 425.555 2.156 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ncccc2N(C)C)CCOC1 1741125857 NXJVKYMPWIGXKX-HTAPYJJXSA-N 427.553 2.424 30 10 IEEE CC(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1741372243 BPUAFWJAXILCDJ-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1741420092 IZELXVSSQMDFFX-YCRPNKLZSA-N 431.516 2.424 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(F)c(Cl)c1 1741904061 HPMRUDMLBGRFHZ-VXGBXAGGSA-N 428.921 2.467 30 10 IEEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)CC1 1741989457 KBXPTBZUJQJONS-UHFFFAOYSA-N 430.553 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1748667024 LTYKURWGUDGLSV-RDJZCZTQSA-N 433.516 2.310 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)Cc1cccc(F)c1 1748793520 KVWZDWWHXDORQV-UHFFFAOYSA-N 445.502 2.084 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCCCC1 1748964559 GHVLWYRUNGBNMK-UHFFFAOYSA-N 449.559 2.005 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2[C@@H]2C[C@H]2CF)CC1 1748972956 SUJLMDJWIBMPEZ-FUHWJXTLSA-N 430.915 2.147 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CC)CC2)CC1 1748979582 FWIGCUQFUDGOIB-UHFFFAOYSA-N 427.574 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749114416 BTUUPAABYLIZLA-QRVBRYPASA-N 446.596 2.091 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749223010 OTHYFMCONNVLFD-OAHLLOKOSA-N 425.459 2.401 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1749465727 HFWMYUGVCZMWFB-HSZRJFAPSA-N 427.549 2.437 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCCCC1 1749658501 RPVZCUAGZNCQBW-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1749723636 BAVIASXLTVPMHP-UHFFFAOYSA-N 449.577 2.285 30 10 IEEE COCCN1C[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C#N)CC2)CC1=O 1749864342 NNMOLGLXTUTJKB-GOSISDBHSA-N 428.562 2.165 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760142390 AZVGFMFLFUMUTN-XXBNENTESA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1760188836 DIWZDBMURUCNLX-IBGZPJMESA-N 441.582 2.309 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760190127 OJYIFLCMMHMIIF-FQEVSTJZSA-N 439.516 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCc1n[nH]c(C)n1 1760211870 NAGSSMKEZJIFAC-UHFFFAOYSA-N 441.337 2.178 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1760450533 MUJOSRGGTAOYMB-RBUKOAKNSA-N 438.594 2.168 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCOC1 1760503625 CSLYNRNYKKZZNK-LJQANCHMSA-N 437.338 2.498 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCn1cc(Br)cn1 1760505918 SAQLYFJKIFGUDG-OAHLLOKOSA-N 425.331 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2cc(F)cc(F)c2C1 1760554023 OSFCETXTCKFATG-UHFFFAOYSA-N 446.483 2.177 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 1764997957 WUVNJCYTPIGWEG-LJQANCHMSA-N 430.516 2.429 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769095841 AYLJIGGIBRNHQS-UHFFFAOYSA-N 449.490 2.391 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1769745839 GXRUNVOAYSHWQP-UHFFFAOYSA-N 440.548 2.065 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCC(=O)N1 1771100265 LQELOXLRLBFMOG-HXUWFJFHSA-N 431.500 2.143 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(Br)n2)CCO1 1771537721 UIJBGGHJVBRAGU-ZFWWWQNUSA-N 433.310 2.107 30 10 IEEE O=C(C[C@@H]1SC(=NN=Cc2ccc([N+](=O)[O-])cc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 1772727637 XRNAWZNRINQYBC-HNNXBMFYSA-N 442.413 2.453 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CC(Oc4cccnc4C#N)C3)n2)cc1 1849826726 OTXWABTVOAWOSP-OAHLLOKOSA-N 431.452 2.036 30 10 IEEE C[C@H]1CC(=NC(=O)c2ccccc2C(=O)N2CCN(C)CC2)NN1c1ccc(Cl)cn1 1851632912 PMSXIKQNLJYCQC-HNNXBMFYSA-N 440.935 2.465 30 10 IEEE CSc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 1853441746 LTYAVPVKXDAEEG-UHFFFAOYSA-N 426.542 2.420 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)c3cc4n(n3)CCCO4)C(=O)C23CCCC3)s1 1855630446 WAGRJDWDYWEJAP-UHFFFAOYSA-N 425.514 2.396 30 10 IEEE COc1cccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(S(C)(=O)=O)cc3)n2)c1 1857807217 WHSTXPIZLQCILA-NHDPSOOVSA-N 429.527 2.119 30 10 IEEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)CNC(=O)c1ccccc1 1870152430 RVJRAECPTJKERP-UHFFFAOYSA-N 429.484 2.498 30 10 IEEE CCOC(=O)COc1cn(CCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870194377 PMJCOANTYWKSND-UHFFFAOYSA-N 431.514 2.267 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1C(=O)CSC1=O)n2CCC 1873575999 DYVPSBQQONKALD-UHFFFAOYSA-N 442.545 2.445 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(CCc3cccs3)nnc2SCC(N)=O)cc1 1874370481 BJCHABHORJKCIL-SRZZPIQSSA-N 429.527 2.371 30 10 IEEE CCOc1ccccc1CCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890219063 UJOIVBGYKVBREN-UHFFFAOYSA-N 427.589 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(Oc1ccc(Br)cc1C#N)C(=O)O 1919720574 MZCMBQXRKWAOEK-SUMWQHHRSA-N 427.251 2.446 30 10 IEEE COc1c(Br)cc(Br)cc1[C@@H](O)C1(C#N)CS(=O)(=O)C1 1921045514 NBEGEYZMHQWJCB-LLVKDONJSA-N 425.098 2.192 30 10 IEEE C=CCC1(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1990018464 FISAKRPJEDUZPI-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)cn1 2006307799 JKZLTVVKQIZQGJ-UHFFFAOYSA-N 433.509 2.445 30 10 IEEE C=CCC1(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2015901651 SCJOWYUQFYNGRM-QFIPXVFZSA-N 439.553 2.288 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)[C@@H](O)C1 2060635502 MJYBLUHIMCGZRW-RDJZCZTQSA-N 436.358 2.394 30 10 IEEE CCOC1(C#N)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2145996346 PITFJSSIDBUTMX-UHFFFAOYSA-N 433.530 2.177 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216465011 ZPIYSQYKGFMZHE-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237402774 NUQXBLFARXQIBN-UZLBHIALSA-N 437.334 2.482 30 10 IEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2250119120 VTBNYEGJYHBLMR-OAHLLOKOSA-N 440.541 2.014 30 10 IEEE C[C@H]1[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255631344 XKAWBTVXNUSYMU-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC1CCC1 2255775722 XORRQTZGEDEGBN-UHFFFAOYSA-N 446.382 2.105 30 10 IEEE COc1ccc(C(=O)NCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255857662 JVOJTJYQVLIQHP-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256023528 RWECNGRAWMROCS-STQMWFEESA-N 427.276 2.461 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256612165 CHIUVNGJDKSIBL-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1CNC(=O)OC(C)(C)C 2267142313 SABYHJOFQBMTNQ-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267179642 SRIYGMULHRGNCV-XLIONFOSSA-N 438.381 2.360 30 10 IEEE C[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2267523844 HQKITYCCJVLKQX-GOEBONIOSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)OC1(C)C 2267871251 NFYPNFSEPYUPNZ-IBGZPJMESA-N 436.365 2.418 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2268643184 JRACLYAXWCFRKK-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)(C1)C2 2268724475 MEAGKBXHMCQJSB-UHFFFAOYSA-N 445.325 2.146 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322306602 LVOOHDMKWVMPLN-CQSZACIVSA-N 439.337 2.232 30 10 IEEE COc1ccc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)c(Br)c1O 2323435631 PUOAATKRDSBVAN-UHFFFAOYSA-N 442.247 2.323 30 10 IEEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SC)cc(Br)c1O 2330710808 MXQHCOUVAHDIGA-UHFFFAOYSA-N 428.312 2.385 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc(F)cc2)cc1 2331002281 BAGCJCUUUVGKAN-UHFFFAOYSA-N 430.457 2.246 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2337193964 IEAIEDWXDYIDOG-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2)c1ccccc1 103526149 RXCMKUGVRHFVTE-RIFXBLHOSA-N 430.507 2.326 30 10 IEEE C=CCSCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 107852575 PLFHWOBZJNGWSH-UHFFFAOYSA-N 425.395 2.263 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2)c1ccccc1 254702558 RXCMKUGVRHFVTE-CRAIPNDOSA-N 430.507 2.326 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 426127664 KSVZDVSNEKETQB-UHFFFAOYSA-N 429.565 2.003 30 10 IEEE CCOC(=O)[C@@](C)(NCC(=O)Nc1sccc1C#N)c1ccc(S(C)(=O)=O)cc1 430291546 UZWNYHYCNJQEAI-IBGZPJMESA-N 435.527 2.030 30 10 IEEE CN(C)S(=O)(=O)N(C)CCc1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 445382122 CFAKISKMNIOEKB-UHFFFAOYSA-N 428.474 2.076 30 10 IEEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461285960 VASLRFIIYHXFDO-FPTDNZKUSA-N 435.488 2.214 30 10 IEEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 475309841 YUEXJKMVXZERTD-VXKWHMMOSA-N 445.523 2.496 30 10 IEEE COc1ccc(C(C)(C)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 479827707 FFUFDQSBGQXLQA-UHFFFAOYSA-N 427.526 2.378 30 10 IEEE Cc1ccc(CN2CCCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)cc1 506898036 PJFHEFLWHWAZLF-UHFFFAOYSA-N 432.572 2.118 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 508938367 JDQBKTNXNMCKKN-LOXVZWDBSA-N 441.576 2.417 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 510133298 JULQENLTANBZBG-ROUUACIJSA-N 425.489 2.098 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)n1 523462328 VUHMAPRBMZBWIN-CQSZACIVSA-N 428.518 2.055 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 564783984 DGRCBORNCLIRBN-IBGZPJMESA-N 435.569 2.090 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 581951304 YZZYDJNXXPMWCJ-INIZCTEOSA-N 427.534 2.157 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)C2)nc1 590417377 XVDZXFKAIMHXGX-NSHDSACASA-N 445.348 2.392 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccc3)c2=O)cc1F 609405841 HAPQQMXYOKGCKJ-UHFFFAOYSA-N 433.508 2.472 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 679755096 JVORJQCDTSIRFV-LJQANCHMSA-N 438.549 2.360 30 10 IEEE COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=N)NN=C(C)c3ccc(O)cc3)C2=O)cc1 725422233 SNZKQDRZFCNSKO-QGZVFWFLSA-N 440.481 2.492 30 10 IEEE COC(=O)CSCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 729818113 HELWOCUBCBCGFY-INIZCTEOSA-N 446.554 2.065 30 10 IEEE CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138121 JETPEPCKLMLZRX-SUMWQHHRSA-N 442.532 2.389 30 10 IEEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717301 JGGCBZZOBSUQHQ-MRXNPFEDSA-N 444.492 2.102 30 10 IEEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730727593 SJLZFASNOOQPDY-KRWDZBQOSA-N 433.509 2.322 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@]2(C)CCOC2)C1=O 733075695 UVSDZVVMYFOLAV-UTKZUKDTSA-N 436.553 2.252 30 10 IEEE Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1=O 735338903 CLCKGXHZLJMOSQ-GOSISDBHSA-N 445.472 2.023 30 10 IEEE CN=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1cnn(CCOC)c1 742255386 GOQLLPJISIAFJB-CYBMUJFWSA-N 426.502 2.192 30 10 IEEE N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 746574380 HGJQJOCJZAWVGU-HXUWFJFHSA-N 437.471 2.338 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1C#N 756793452 KVNKUQXZGCUSCG-UHFFFAOYSA-N 449.467 2.084 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 763572027 VAYIJBOKXSISLU-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(Cl)nc3)c2=O)cn1 772316906 UFFFFIXIACVSDM-UHFFFAOYSA-N 437.912 2.117 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc1 783210215 HAJOTQFYVJPVGE-JKSUJKDBSA-N 440.493 2.102 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)cc1 784126802 FTFWEQRPNZRWAU-MJGOQNOKSA-N 432.590 2.421 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 788695723 ZVOSGXOIUTWWLD-UHFFFAOYSA-N 426.882 2.224 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC#Cc1ccccc1 791301611 LELLCSVHZUDEKJ-IBGZPJMESA-N 433.913 2.468 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC2(S(C)(=O)=O)CCCC2)C1=O 795179150 XHPDOKPCPGJCFY-HNNXBMFYSA-N 441.550 2.251 30 10 IEEE C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CCO2 807247881 GMDLISBJELXXRT-NYHFZMIOSA-N 425.510 2.309 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 809917465 KWMGSAGXLYNBIU-QZTJIDSGSA-N 448.568 2.125 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3cccc(Cl)c3)n[nH]2)cn1 1084003361 RVEMAHXRMXYHIT-UHFFFAOYSA-N 448.940 2.156 30 10 IEEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)CC1 1130097414 WZPJZEVIHSAFJE-UHFFFAOYSA-N 445.585 2.183 30 10 IEEE C=CCOCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1131300301 YASQKZJFLYQOHZ-MRXNPFEDSA-N 432.546 2.299 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OCC 1132934662 ROZLQQDAMSVSCL-BXWFABGCSA-N 438.546 2.112 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3nc(CO)[nH]c3c2)c1 1136281913 SQLQOGWBLJNRNP-LYBHJNIJSA-N 427.486 2.120 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 1141291563 SUBSNIZZKVKLOC-OAHLLOKOSA-N 445.520 2.461 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N[C@@H](C)CC)cc2)c1 1141715156 INXNRCLZZSUQNA-INIZCTEOSA-N 427.526 2.056 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(N2CCC2)CC1 1153262494 NTDGVQHGWCNHRD-SFHVURJKSA-N 432.590 2.371 30 10 IEEE N#Cc1c(NC(=O)CN2CCC(N3CCCS3(=O)=O)CC2)sc2c1CCCCC2 1171107199 DFBBXEZNNVNWTJ-UHFFFAOYSA-N 436.603 2.327 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@@H]1CCC[C@H]1C#N 1175250116 NJEUWZAFLAYYLJ-RBBKRZOGSA-N 440.569 2.297 30 10 IEEE N#Cc1ccc(F)c(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1 1248715038 FRPMNDLURPFWJF-SJORKVTESA-N 442.413 2.455 30 10 IEEE Cn1nccc1[C@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1 1251142832 BXECLJAMUCYTCY-IIBYNOLFSA-N 448.531 2.212 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286341599 HBGNSKDBJOXHCK-QRQLOZEOSA-N 426.546 2.045 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286359292 YXGLTPWFQPUQNQ-PCCBWWKXSA-N 442.608 2.170 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1286387667 SWGWANRSLZOBRQ-LJQANCHMSA-N 439.541 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1F 1286420924 UVYHCGDTCGQQDI-AWEZNQCLSA-N 437.928 2.192 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(O)(CC)CC 1286439332 PEWLBDPIQGBVAF-UHFFFAOYSA-N 442.589 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC=C)CC1 1286487154 DHURNPNRRPLHMH-QHCPKHFHSA-N 429.565 2.251 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CC(N)=O)C1 1286698496 ZWWORHUDXTUGAC-MRXNPFEDSA-N 445.593 2.296 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCN2CCN(C(C)=O)CC2)C1 1286804879 MNGYHEKYUNONCI-OAQYLSRUSA-N 438.576 2.199 30 10 IEEE C#CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1293513169 BQJPWGFQMFMRGM-GOEBONIOSA-N 429.336 2.192 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300522866 OPKSBJCNMOKBIY-OALUTQOASA-N 435.528 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCOC[C@@H]1C 1300591617 TUYAOLMZUZLWDA-NRFANRHFSA-N 430.556 2.465 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1300602185 AAHXZQBPIAWJDH-OFNKIYASSA-N 433.597 2.135 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1300606659 QLOZRPFBTREBTJ-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)COC)CC1 1300711359 YWPLTIQQWLEVHM-QRVBRYPASA-N 446.596 2.087 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc(C)no2)CC1 1300862683 CEIUUDAUHDOCHM-ZWKOTPCHSA-N 443.552 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC)C1 1300872498 FVVYQHRSDGASRV-MLHJIOFPSA-N 425.599 2.496 30 10 IEEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301259789 RGCGKSNOSVFNHJ-IBGZPJMESA-N 440.548 2.280 30 10 IEEE C=CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1301329596 KKHHRNBCDREKAH-UHFFFAOYSA-N 438.557 2.309 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1301517720 BIMPWWFUHJJZOZ-JOCHJYFZSA-N 431.512 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCC[C@@H]1C=NNC1=O 1301570249 CJCBYUFDSRXULH-SJLPKXTDSA-N 425.489 2.021 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(=O)N(C)Cc1ccccc1 1302000098 LEIUQALFRQANMF-GOSISDBHSA-N 440.548 2.401 30 10 IEEE CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1302079947 QCCHUJAJHADFQN-HXUWFJFHSA-N 435.576 2.438 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1303240612 YOCLTOPZIXWGGD-UHFFFAOYSA-N 431.562 2.360 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)o1 1304339191 RLDMECBVJUINRQ-UHFFFAOYSA-N 428.518 2.246 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1305630595 WXGLTRIXWSZQHW-WBAXXEDZSA-N 438.488 2.236 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1309831802 CAUNQHIDNIVZDE-UHFFFAOYSA-N 446.504 2.335 30 10 IEEE CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1\N=CC=CC1=O 1313562082 QOLALAPVTOUMON-XUTLUUPISA-N 432.488 2.318 30 10 IEEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(C#N)C2)C1 1314267211 UWBUOOOMUSLKMC-MUFKMQBASA-N 433.553 2.062 30 10 IEEE COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1315859907 FITLPJPBEAFIFT-IERDGZPVSA-N 446.577 2.213 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1COCCO1 1316089052 AHPQPSXZSCBOHK-VQTJNVASSA-N 427.505 2.070 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@@H]1C 1316101914 QHVGNJSLQGBDSO-JKSUJKDBSA-N 430.509 2.045 30 10 IEEE CSc1nnc(CCCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)n1C1CCCC1 1318814157 DABBGOOYGZUYSZ-VHEBQXMUSA-N 432.550 2.080 30 10 IEEE CN1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccc(F)cc1 1323005355 TVWYZFYREKCNBW-VWPQPMDRSA-N 449.486 2.464 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1 1357309312 LMXKOJLSVZNHMJ-UHFFFAOYSA-N 428.518 2.481 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1358920472 ZSLXJOADPCNBNO-IBGZPJMESA-N 444.605 2.245 30 10 IEEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1358920668 FHEIWBFIPDBSCB-AZUAARDMSA-N 425.533 2.400 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC=CCO1 1359015498 VVQOMMJGPFBDJT-VQIMIIECSA-N 447.536 2.012 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(CCCCC2)O1 1359018193 HRBPASFZKWHUIH-IBGZPJMESA-N 429.565 2.482 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSCC(F)(F)F)CC1 1359040125 JADOTFVRZRXIRN-HOTGVXAUSA-N 447.527 2.053 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1359070724 SWGYEFPFODSTPQ-CNNODRBYSA-N 433.622 2.437 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)OC)C1 1359136025 XFOMAQDPJUIPIJ-INIZCTEOSA-N 447.561 2.252 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359150650 CXRHTBDHMXCPFM-STQMWFEESA-N 441.907 2.006 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1359275438 UGSXVYWEYOFEIP-UHFFFAOYSA-N 447.543 2.219 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1359301434 YQZGVFWTLNTCQP-YJBOKZPZSA-N 449.914 2.455 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1359301610 DILHDNWJUUUKHU-UHFFFAOYSA-N 430.597 2.398 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(COC)c2)C1 1359319511 AJPWEVLYAPEDHD-IEBWSBKVSA-N 429.496 2.344 30 10 IEEE Cc1ccc([C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2C(C)(C)C)N2CCOCC2)o1 1361140417 AJKUNAQVVOPTLD-ROUUACIJSA-N 428.537 2.279 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1C(=O)CSC1=O 1441886370 BVGPQHWPXQMRHK-QGZVFWFLSA-N 444.513 2.204 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1452968450 DLHZIENENZPMIT-OAQYLSRUSA-N 440.569 2.186 30 10 IEEE COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)c(C#N)c2)c1 1472087976 IZMQTVUWOMIRNC-UHFFFAOYSA-N 438.303 2.498 30 10 IEEE Cc1c(S(=O)(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)sc2ccc(C#N)cc12 1475137133 FGYHGFDBPNWZJH-KBXCAEBGSA-N 440.568 2.096 30 10 IEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)CC1 1497814957 LZBVMMPESLRJLF-IEBWSBKVSA-N 439.516 2.279 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)OC 1500141877 FRBDAVQEGRTDBE-WMZHIEFXSA-N 438.532 2.403 30 10 IEEE CCOCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1503168898 LIMHQPQBXMQWHO-SFHVURJKSA-N 446.939 2.407 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1)OC 1504594681 HMSZHACOCCLORI-OFNKIYASSA-N 441.532 2.397 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(F)(F)F)cc1 1505315116 HVJKRCSXGRCKEK-UHFFFAOYSA-N 447.465 2.123 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507593142 IRXTVDMISNHQPC-UHFFFAOYSA-N 449.519 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](CC)N1CCc2ccccc2C1 1507638481 RKLPRBWHUSQEDP-QFIPXVFZSA-N 432.572 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(O)c1 1507653746 RAOYOLLKDQLOKS-UHFFFAOYSA-N 427.512 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)CCC(C)C)CC1 1507737071 YVZPDIRIVVUWRI-HSZRJFAPSA-N 426.565 2.426 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507797210 RRJXNVPHZXFGDQ-HKUYNNGSSA-N 449.577 2.299 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1507897285 OWRNLTVTTMEHIB-IBGZPJMESA-N 445.486 2.400 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C)cc2)CC1 1508086568 ZYZIBLXLSGIUBY-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1508090958 KQQOPNZZHIVGOQ-ICSRJNTNSA-N 443.523 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC([C@H]2CCCO2)CC1 1508136824 HVZUKLOOFMGDTC-LJQANCHMSA-N 431.562 2.336 30 10 IEEE Cc1ccccc1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1511346438 DSPDIBPEXMGPOC-JXFKEZNVSA-N 433.509 2.010 30 10 IEEE CCSc1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)ccn1 1516889908 YSALDDBGZOVXEE-SCTDSRPQSA-N 444.561 2.286 30 10 IEEE CN(C)[C@@]1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1516998198 HLTDLTCAQLEKDY-KCXPTXFHSA-N 448.637 2.363 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517760425 DNWYACACWSGDLF-DLBZAZTESA-N 443.515 2.228 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CCO1 1518920085 ZTZSGAIBEDWCHU-NRFANRHFSA-N 441.532 2.254 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@H]1C 1519162415 FXNZCVYJGDZODA-MJGOQNOKSA-N 437.548 2.047 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1524343581 SVPHEZQUQRKFPW-UHFFFAOYSA-N 432.433 2.061 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)CC2(C#N)CCOCC2)CC1 1526638347 DKBRIJGFFCKJIA-KRWDZBQOSA-N 433.574 2.442 30 10 IEEE C=CC[C@@]1(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCCN1C(=O)OC(C)(C)C 1528919171 CSEYIODIHRFWCB-AOMKIAJQSA-N 441.536 2.165 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C#N)cc1OC)c1ccc(S(C)(=O)=O)cc1 1538509895 XJIAVPBVVITIQU-NRFANRHFSA-N 430.482 2.179 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(C)=O)nc1 1539028952 FDRYUZVUHGUVTG-AWEZNQCLSA-N 437.529 2.129 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)C2CC2)ccc1F 1539070430 RGWPDUGAQAAOFY-UHFFFAOYSA-N 438.502 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N1CCOCC1 1539307576 WKCDHZNMWWGLHB-LJQANCHMSA-N 437.544 2.146 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1539350530 OTXPNSIMZLIJNG-SFHVURJKSA-N 441.532 2.345 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1539383519 FGJZPGGAYWXCGH-CALCHBBNSA-N 432.569 2.377 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1539452370 QODVDOOZTSJYBQ-IBGZPJMESA-N 425.581 2.023 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2Cl)CC1 1539481763 ODHOVBGIFUYCKN-GOSISDBHSA-N 427.936 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1539638160 XCVBXCJMTPEWBO-UEXGIBASSA-N 425.533 2.170 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1539820871 RPKOSBCRVYGDDA-KXBFYZLASA-N 427.933 2.348 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)C 1539909004 FIBAYUNPQYCZTL-UHFFFAOYSA-N 437.552 2.484 30 10 IEEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539962811 DFUSIWXEMBXBCT-LJQANCHMSA-N 444.580 2.147 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 1540454451 SWRPSTYFPQBFCM-LJQANCHMSA-N 432.567 2.348 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(OC)cc2)C1 1540890636 HMDROPNDNFYCCJ-RBUKOAKNSA-N 427.505 2.098 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CCOC)C1 1540892548 NLPPFJFCLAPSSG-DHJUGAMNSA-N 444.532 2.359 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(C)(=O)=O)C1 1540894754 DZBDBRMQAQIJRW-GOSISDBHSA-N 429.546 2.107 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1)N(C)C 1541865753 WFGZCCBRAOFMCB-INIZCTEOSA-N 433.516 2.342 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)cc2)CC1 1542770199 KZWHHTMXLHNWGL-HWBMXIPRSA-N 438.572 2.218 30 10 IEEE Cc1cc(C)n(-c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)C[C@H](C)C#N)cn2)n1 1543001782 BTHOIXSEAZFFEM-MRXNPFEDSA-N 447.547 2.242 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H]3CCN(C4CCN(C)CC4)C3)n[nH]2)c1C 1543278537 LSDUUKOSMXJOMV-IBGZPJMESA-N 425.581 2.317 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@H]1C 1545535294 DNUDGZLDRADDNK-RTBURBONSA-N 438.580 2.106 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1545760765 IESSMFRYXOMOKW-ROUUACIJSA-N 429.546 2.126 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1547080430 LSDVURIGYVMGME-QUCCMNQESA-N 438.532 2.260 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CCO1 1555388210 DINKQHHWKYSZGE-INIZCTEOSA-N 441.442 2.444 30 10 IEEE C#CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2ccccc21 1559499094 IIYJASPSAUSHJL-JOCHJYFZSA-N 425.554 2.006 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H]3CCCN3C[C@@H]2CO)cc1 1560122758 GXLJUMLPGBLPJP-VQTJNVASSA-N 437.544 2.054 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1565298291 DWSHFUBVIUKOAU-WCBMZHEXSA-N 448.332 2.309 30 10 IEEE C[C@@H]1COCCN1CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1565647336 SWFTZMRKKVHFLR-OXQOHEQNSA-N 428.533 2.229 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)[C@H]1c1nccn1C 1584070861 IWVIJTXYDLNDJR-COXVUDFISA-N 436.299 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCOCC1 1587603831 PHPXILGNVJEQDP-MSOLQXFVSA-N 425.533 2.143 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1587787775 QUHDSYPKMYXUQK-LJQANCHMSA-N 427.530 2.156 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1587856047 FUFJOVAPARPDSH-QGZVFWFLSA-N 429.487 2.286 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588034183 BLGOWBHZUKKRES-ZWKOTPCHSA-N 438.594 2.209 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(F)(F)F 1588628720 NVDIMBQHLVLWHQ-UHFFFAOYSA-N 434.422 2.323 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OCC=C)C1 1589006080 BTXLRHIMXSJKBQ-SFHVURJKSA-N 446.598 2.496 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1589636998 PNLJLKLALFWNMU-UHFFFAOYSA-N 434.562 2.296 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1593740964 HOTRNBGMOKDVSA-KRWDZBQOSA-N 425.599 2.246 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1593825919 GDVSQHNATNJMBO-CQSZACIVSA-N 440.729 2.411 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1595500943 GYKQNXMOIUYZMF-UHFFFAOYSA-N 440.464 2.095 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(C)C)CC1 1595530250 XVKSEGCHUYXXQP-UHFFFAOYSA-N 448.575 2.400 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1595884949 XKVHAAXRDPGZTL-MAUKXSAKSA-N 428.649 2.433 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccn(C)n2)CCOC1 1610414990 IGGXFNMZTSCPBE-JOCHJYFZSA-N 427.553 2.425 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 1611130322 AHWJXBUXWSRSPM-CQSZACIVSA-N 435.949 2.368 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1611319471 HFSYUERDVKWMTN-XHSDSOJGSA-N 431.541 2.367 30 10 IEEE Cc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1612225394 BHJBZOZLBMLRMY-UWJYYQICSA-N 428.562 2.256 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCN2CCCCC2)CCOC1 1616264303 XAGZKBHXTKIUKK-REWPJTCUSA-N 446.596 2.315 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 1618148455 KCOXCSVRXZPULK-UHFFFAOYSA-N 439.537 2.438 30 10 IEEE COc1ccccc1Cc1nnc(N2CCCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1619420763 RADQMEUTARICIQ-UHFFFAOYSA-N 434.500 2.449 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N(CCCO)Cc2ccccn2)cc1Br 1622065463 ASVHIJVEWUIOPE-UHFFFAOYSA-N 428.283 2.428 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1625510708 PFLFHEIZPGEXJS-UHFFFAOYSA-N 432.524 2.404 30 10 IEEE C=CCc1cc(CNC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)cc(OC)c1OC 1625993701 LYPCNWLRCGLHEL-UHFFFAOYSA-N 440.496 2.432 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 1628239237 OPOPDOQUEYNFMF-ROUUACIJSA-N 434.606 2.460 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1632079451 ZBCSQDVMUYHPOO-MRXNPFEDSA-N 432.454 2.175 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)C1 1633382115 NACBVQHDHRLGOA-QUCCMNQESA-N 444.329 2.358 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2nscc2I)C1 1633662016 CXRLIDOKNYOXRC-WCBMZHEXSA-N 448.286 2.237 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)c1 1633938305 UJBJSZOMNJHIPC-HNNXBMFYSA-N 449.554 2.414 30 10 IEEE CC(C)(C)c1csc(CC2(O)CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1635763442 NKCKSKRGZCXTSY-VXPUYCOJSA-N 446.573 2.253 30 10 IEEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1638463295 KSSHQJMGUFLMFA-UHFFFAOYSA-N 433.452 2.105 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CCN(C)C(=O)OC(C)(C)C)c(=O)c1C#N 1650978598 GDJOSGTWPLVILD-UHFFFAOYSA-N 427.299 2.426 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCS(=O)(=O)C4(CCC4)C3)CC2=O)cc1Cl 1652398888 XOOWWUSAFHWURV-CABCVRRESA-N 435.933 2.181 30 10 IEEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)c1 1660031325 IHHDNHNGGPYQQQ-FQEVSTJZSA-N 432.567 2.286 30 10 IEEE Cc1csc(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1C#N 1671651328 HXRVOHXTJKWCNH-UHFFFAOYSA-N 434.543 2.412 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H]1CCCc3cc(C#N)ccc31)CCS2(=O)=O 1673750767 UFWXLKRGVSYFAJ-PCIYFURRSA-N 445.541 2.134 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCOc4c3ccc(Cl)c4Cl)C2)c(=O)nc1O 1682139854 NGSBRASWDGHADV-CYBMUJFWSA-N 436.255 2.217 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CCS(C)(=O)=O)C1CC1 1689882573 DQKZNJSAHQPSQQ-UHFFFAOYSA-N 430.530 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1690004710 CREOVXCZBDGDIY-HXUWFJFHSA-N 429.528 2.429 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 1690111732 IPTZKIJXYNBZQO-QGZVFWFLSA-N 442.539 2.085 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690129093 PHXJSKBEYZZMAW-HXUWFJFHSA-N 438.551 2.022 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1690132239 MJCCOQJNNRDWFK-IAGOWNOFSA-N 430.553 2.163 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690165565 BUBMWWPHIYTCGB-APWZRJJASA-N 425.558 2.283 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccco1 1690246150 RKPGNICSDYJXKR-POAQFYNOSA-N 429.521 2.456 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1690515208 HXADONVLNDAIPO-JTQLQIEISA-N 434.385 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N(C)C)C1 1690685252 YXDHOEIMXFAYTO-LJQANCHMSA-N 440.548 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCN(CC)CC2)C1 1690693903 HUGHWEHLYKUACT-HXUWFJFHSA-N 427.597 2.093 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1690699640 HLRVMHVPYOKVHI-PMACEKPBSA-N 425.533 2.313 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@@H](C)C1 1691001671 MBJGXBGPCXSLBP-SJORKVTESA-N 443.552 2.103 30 10 IEEE CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1691348464 BTWZNGHJKRUBFM-HNNXBMFYSA-N 439.486 2.166 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1705500654 RKIHRORQCLQFBN-GOSISDBHSA-N 436.560 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2c(C)noc2C)CC1 1705647592 HNYFUJSYQSNULF-FQEVSTJZSA-N 440.548 2.333 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705693058 BBWOMSMOPMMQKX-MHORFTMASA-N 430.553 2.246 30 10 IEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1705735583 BCLVFWHDOJRJMV-UHFFFAOYSA-N 438.532 2.490 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 1705780200 JBJPZAHGXIJMRZ-IBGZPJMESA-N 443.573 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@](C)(C(N)=O)C1 1705896114 BWPDRSGJKCDSQS-JLCFBVMHSA-N 442.589 2.135 30 10 IEEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1709577901 ZJCCTUAAHMPKSC-LJQANCHMSA-N 446.577 2.309 30 10 IEEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711172764 FQFHINRGTVLLOY-OAHLLOKOSA-N 438.504 2.190 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1712670280 BAQPNWXGYPLHIA-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1722335182 CENCLSZVWRPSHE-KRWDZBQOSA-N 425.489 2.024 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722359675 AAKPEYYGZNNWKD-AZUAARDMSA-N 439.541 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC[C@@H]1CCCO1 1722384511 RIFLIINOAGHQLG-UGKGYDQZSA-N 436.512 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCC[C@H]1C 1722390474 SAEODNVDGXLEKB-YLJYHZDGSA-N 426.542 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccnc1)C(C)C 1722398331 ZUWICRIFRKMGBW-NHCUHLMSSA-N 439.585 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cn(C)nc1-c1ccccc1 1722424812 BECROHCVTKWQPR-UHFFFAOYSA-N 430.516 2.213 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2CC(F)(F)C2)n1 1722429012 FOJRRAPCMJRYNK-QGZVFWFLSA-N 434.491 2.310 30 10 IEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1722605128 WHVZPXUZPUTUJC-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(F)(F)CO1 1722637068 FGSCKYWOKFEEHD-ZDUSSCGKSA-N 426.493 2.285 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1722663180 VLKQUSPVLGLLHO-UHFFFAOYSA-N 439.545 2.238 30 10 IEEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(OC)c(Br)c1 1722704123 OGPQKSYBQHSXPX-UHFFFAOYSA-N 446.309 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1722716056 SGCGDQZVJWHTOH-IAGOWNOFSA-N 432.546 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCO[C@@H](C)C1 1722730362 PPSVMMUQEJBJJU-SFHVURJKSA-N 434.562 2.382 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722742141 JVBGYPNMBMHBAM-UHFFFAOYSA-N 426.594 2.390 30 10 IEEE CC(C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1723038201 BGHWWBCHHUZSAY-UHFFFAOYSA-N 431.566 2.139 30 10 IEEE Cc1c(CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1724114274 HGKXGJHUYUOUFE-VZCXRCSSSA-N 438.536 2.140 30 10 IEEE CCc1nnc(N(C)Cc2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1727506424 QISDBGDJPPKSJD-QZQOTICOSA-N 440.504 2.021 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1728717905 ABFYJNKQKHMNLV-QGZVFWFLSA-N 435.488 2.492 30 10 IEEE COCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C#N)CC1 1730705738 UXGQAQXVRUHNSL-UHFFFAOYSA-N 434.548 2.375 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740575049 NYVCOKPJBOMOKU-NZQKXSOJSA-N 449.603 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CCCO1 1740632126 GYSIUYGOPIRKIW-QFIPXVFZSA-N 440.573 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740651475 FVBBPEYBGOPQNE-UHFFFAOYSA-N 442.523 2.318 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1740688623 HEIPAACHGMRDRK-RBUKOAKNSA-N 430.597 2.013 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H]1C 1740893307 FLPVBTUSTKRACV-KRWDZBQOSA-N 432.594 2.302 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1740899744 HPKCLPYJXRFHJN-CQSZACIVSA-N 435.554 2.417 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](c2ccccc2OC)C1 1740958811 VJTCSKMSOJGAOQ-ZWKOTPCHSA-N 425.533 2.477 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3ccccc3C2)C1 1740970088 DNWXCEFNYJGEOP-OAQYLSRUSA-N 438.576 2.256 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCCO[C@H]2CCOC2)n1 1742699731 YUELSOGLJMDHJD-FQEVSTJZSA-N 427.553 2.465 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1748829726 IGHDOCHVMSIHOX-JPYJTQIMSA-N 445.564 2.164 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C(C)C)N2CCCC2)CC1 1748971449 PZROXEOCEZFRIR-NRFANRHFSA-N 443.640 2.072 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCCC)CC1 1748977536 IKLRBXZOUFVSTB-QGZVFWFLSA-N 444.967 2.353 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@H]2C)CC1 1749000389 UVEHAJIUBBOLRD-RTBURBONSA-N 427.524 2.424 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 1749210657 LKGHDODNTHUTPE-UHFFFAOYSA-N 433.582 2.182 30 10 IEEE COC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1749340978 VKLHIPXSLNYZLY-WOJBJXKFSA-N 440.548 2.032 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749462085 NBMXMVRNYMOELG-OAQYLSRUSA-N 443.596 2.395 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1749685868 MRRQGDOOGJOFQT-RTBURBONSA-N 425.533 2.358 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1751176338 YUHVMRPTFOTZHP-BBRMVZONSA-N 439.488 2.110 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1760189716 LGJIHDAMDJYGMS-IBGZPJMESA-N 445.589 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1760199237 WHNFBSIQGPBBFD-UHFFFAOYSA-N 432.311 2.184 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H](C)C1 1760201663 HJOMZVVQXPKQAP-MSOLQXFVSA-N 430.512 2.080 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1760237748 UBDQYRCSTWCMFM-MRXNPFEDSA-N 429.546 2.272 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760321215 CSOXFQWGQRFQBN-NFBKMPQASA-N 444.624 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760335183 LZAVPPUFSHVRQH-LMMKCTJWSA-N 431.562 2.253 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760467891 ZNKKGKVNZDWHMN-UHFFFAOYSA-N 440.552 2.017 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncn(C)n1 1760485889 UUCMOWHULQRZHP-FQEVSTJZSA-N 429.550 2.361 30 10 IEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 1761547813 DLJWNPGADGPOKZ-FGZHOGPDSA-N 436.541 2.488 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2)OC 1764281524 FNEBYGQKDBGTJZ-KRWDZBQOSA-N 440.504 2.233 30 10 IEEE CCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765449814 HNHMPRZJJAEOOJ-XXBNENTESA-N 439.564 2.316 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1766661430 SBNSCQNZKRCWRM-JLUOLNIDSA-N 429.569 2.096 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1767139516 JKMMNAXIZQCPMC-CQSZACIVSA-N 448.409 2.131 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C#N)o2)C1 1769408947 FBQMJBJUOYDMLO-CQSZACIVSA-N 437.456 2.475 30 10 IEEE COC[C@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1770794811 GSYPCWIEFZRARE-LJQANCHMSA-N 435.507 2.447 30 10 IEEE Cc1c(C(=O)N2CCN(CCC#N)CC2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 1848533612 HABQOMWOBCEHQA-UHFFFAOYSA-N 432.488 2.175 30 10 IEEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)OCCN2CCOCCC2=O)CC1 1850863721 OIVHPMCOYZCVNE-UHFFFAOYSA-N 440.475 2.254 30 10 IEEE COc1cccc(CN2C[C@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1850898048 BRWOJHWNWFHREE-OAQYLSRUSA-N 447.539 2.343 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(C)c(C#N)c3)CC2)cc1 1851115918 AKQOJQCLXNUAGS-UHFFFAOYSA-N 443.525 2.039 30 10 IEEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)O[C@H]2COCC2(F)F)cc1 1851621213 XGIHXVLPIIWTTK-ROUUACIJSA-N 436.436 2.025 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc(OCC(F)(F)F)nc3)CC2)nc1 1851852036 XRFQNJBSXXIRDY-UHFFFAOYSA-N 435.406 2.268 30 10 IEEE Cc1cc(C)n2nc(C(=O)O[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)cc2n1 1852759453 DJOHZPSAYLKSRZ-HXUWFJFHSA-N 435.484 2.154 30 10 IEEE Cc1ccc(S(=O)(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)cc1 1860910374 KURIYEROWWWERU-UHFFFAOYSA-N 438.469 2.129 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(N(C)C)cc2)cc1OC 1862572834 NOXBXPGWVASRLO-FQEVSTJZSA-N 426.469 2.340 30 10 IEEE CC(=O)Nc1ccc(-c2nc([C@H](C#N)C(=O)CN3CCC(C(N)=O)CC3)sc2C)cc1 1872797875 XNZGFVMMSJCILS-GOSISDBHSA-N 439.541 2.451 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060623582 NLMLKDFVTQTLLJ-CQSZACIVSA-N 432.330 2.361 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)c(=NC(=O)OC(C)(C)C)[nH]1 2060633757 RDXDSVCSANUWCD-CHWSQXEVSA-N 432.330 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2124540433 HIVBMZPXVKDWDK-UWQVJFDQSA-N 448.369 2.421 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@H](CS(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2172778102 LDKGPOYIZMNSFJ-LBPRGKRZSA-N 445.188 2.014 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626898 LRVWSWYDIPKJKE-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCN1C(=O)OC(C)(C)C 2255632520 NYHGCLMAVISDKY-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256019130 WOXUNFHZVBCJAJ-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2267182222 CUINZSULYMJQHK-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 2267191598 FNSPMGSUFZJKAQ-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CCc1nn(C)c(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507488 OVTIQSZVDCAIJG-AWEZNQCLSA-N 448.373 2.021 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268629757 ATQUQVBNGCZIDL-UHFFFAOYSA-N 446.353 2.057 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268647988 UQHGPMPPUBDVDE-JKSUJKDBSA-N 447.341 2.201 30 10 IEEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(Cl)c1 2270501704 WVWKHJQVRKRDDH-INIZCTEOSA-N 437.861 2.333 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](O)[C@H](N)C#Cc1cccc(Br)c1 2278726797 BXUFBMNREKLIIA-ZACQAIPSSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](O)[C@H](N)C#Cc2cccc(Br)c2)C1 2278729359 CBUKRIDCYPLBDC-BRWVUGGUSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2310283519 DLUGORKJWIVQKD-UGUYLWEFSA-N 436.358 2.297 30 10 IEEE Cc1ccc(Cn2c(=O)c3c(nc(NN=Cc4ccc(N(C)C)cc4)n3C)n(C)c2=O)cc1 2328608940 BHKXFGCSZACPAB-UHFFFAOYSA-N 445.527 2.302 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1C 2337329455 CFSANRSDYUVEFL-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE C=CCN1C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc21 12232647 UUSYNVPKIOTSPM-CQSZACIVSA-N 429.498 2.489 30 10 IEEE CCOC(=O)c1ccc(NC(=O)C[C@H]2N=C(N/C(N)=N\c3ccc(C)cc3)N=C2O)cc1 40376468 PCWRTKOIJMCESX-QGZVFWFLSA-N 436.472 2.431 30 10 IEEE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(CCC#N)C3)cc2)n1 62040735 JGHOCMMDBGSDKL-MRXNPFEDSA-N 428.518 2.150 30 10 IEEE C[C@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)Nc1sccc1C(N)=O 96915646 APKNJPUMAGYLGC-PENHIPQLSA-N 447.435 2.074 30 10 IEEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2ncccc2C#N)CC1 96996297 TZPXNTSSBKNWNI-GOSISDBHSA-N 434.544 2.123 30 10 IEEE CCOc1cccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)c1 170178718 JPCVVZAARGZYSB-UHFFFAOYSA-N 432.528 2.430 30 10 IEEE COc1cccc(N2CC[C@H](C/N=C3/NC[C@H]4CN(C(=O)OC(C)(C)C)CCN34)C2)c1 304998726 GPEUJJJSJNZSBH-MJGOQNOKSA-N 429.565 2.402 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)CC2)nc1 426227158 OJVQXGJHPWXIEJ-ARIXBXSUSA-N 434.540 2.451 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)CC2)nc1 426227162 OJVQXGJHPWXIEJ-QQKGCATQSA-N 434.540 2.451 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 437936337 VCPPQJXIAYEPFV-RTBURBONSA-N 441.576 2.256 30 10 IEEE C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)c2ccsc2S1(=O)=O 462618155 DQVPGYUFNNPCMW-BBRMVZONSA-N 431.543 2.154 30 10 IEEE Cc1ccc(O[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 466163875 KGWAMILKMYPVRG-SFHVURJKSA-N 442.541 2.350 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)cc1 488153681 CRPDIPNCLUVXBS-SFHVURJKSA-N 447.513 2.152 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 494299921 HDIXFBXFOJLRBB-ZDUSSCGKSA-N 433.452 2.140 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 518451474 LDIMKCXZWCLAFJ-UHFFFAOYSA-N 446.454 2.014 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)c1C 521287543 XQNNRTCOXBHLAQ-UHFFFAOYSA-N 440.528 2.169 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)cc1 521607055 OAFWHQNVVUFMQH-PBHICJAKSA-N 425.576 2.379 30 10 IEEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 527478153 AFJADIKJPBPEQW-OAQYLSRUSA-N 431.500 2.216 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1Cc1ccccc1 532419075 TWASFIQHPKMBJC-UHFFFAOYSA-N 439.562 2.057 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543658977 SEICQPMFNUBVFR-UHFFFAOYSA-N 443.525 2.281 30 10 IEEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 554441058 MOEFYTGXUWNTLB-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE N#Cc1cccc(C2(NC(=O)NC[C@@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)CC2)c1 557725216 GIZAVXPOHSEHFF-FCHUYYIVSA-N 429.524 2.445 30 10 IEEE Cn1c(=O)c2c(Sc3ccc(C#N)c([N+](=O)[O-])c3)nc(C(C)(C)C)nc2n(C)c1=O 562234083 OWLZCZBUJJIYIC-UHFFFAOYSA-N 426.458 2.256 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 582872841 JIOYDUAPTPWOOB-LJQANCHMSA-N 429.546 2.091 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O)O[C@@H](C)C2 732155481 CCBZIYGCMYDTMF-ZDSUQRBESA-N 425.485 2.155 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 756896593 QZWZTVDROLKXRE-USXIJHARSA-N 432.546 2.157 30 10 IEEE C#CCN(CC#N)C(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757451759 YMBINZDBCZGRNK-OAQYLSRUSA-N 431.448 2.354 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 757587653 KULUSRWGKWQFSU-JDFRZJQESA-N 434.443 2.193 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)S/C2=N\[C@H](C)c2cccs2)C1 760322442 MLCSRABEALZBLS-FOWCYRRYSA-N 437.591 2.049 30 10 IEEE COc1cc(CN2CCN(C3CC3)[C@H](C#N)C2)cc(I)c1OC 769410341 BFOYAVHKAWPEBT-CQSZACIVSA-N 427.286 2.481 30 10 IEEE CS(=O)(=O)N1C/C(=C/c2cccc3nccn23)C(=O)/C(=C\c2cccc3nccn23)C1 769611178 WRAQVVQFLZFQOO-MCOFMCJXSA-N 433.493 2.293 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3ccccc3C#N)c2=O)cn1 772302062 HJWMQGSJRSEVDV-UHFFFAOYSA-N 429.505 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CCC(SCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)CC1 778377766 GPXSAOGMXNNXGB-HXUWFJFHSA-N 425.551 2.471 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)n1 791018619 WPCMFOLYGGUANF-UHFFFAOYSA-N 449.294 2.094 30 10 IEEE C=CCN1CC[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 798562310 VEQKQXPSCVNNBK-KRWDZBQOSA-N 426.922 2.071 30 10 IEEE Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccn1C 798817138 UEOWOOFXJHKSRG-LJQANCHMSA-N 428.514 2.469 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(NC(=O)C2CC2)CC1 800778252 CGRQSDDZCXZXSR-UHFFFAOYSA-N 438.532 2.386 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161694 VKQZBQNQLNSBCC-OAHLLOKOSA-N 432.496 2.467 30 10 IEEE C#CCN(C(=O)Nc1cc(C)cc(I)c1)[C@@H]1CCS(=O)(=O)C1 806684122 QZOZZQHWFABTLZ-CQSZACIVSA-N 432.283 2.254 30 10 IEEE C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 885441747 DTNBNPWNMSJDSI-SSDOTTSWSA-N 448.314 2.281 30 10 IEEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777603 MFFLLTAXLKVXFG-IBGZPJMESA-N 446.504 2.311 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917781323 OLPKIYZKVNCZJI-UHFFFAOYSA-N 436.537 2.276 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCCO2)cc1 1119042992 YJHFDNINSNTOLZ-RBBKRZOGSA-N 447.543 2.474 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cc(F)ccc3CS(C)(=O)=O)cc2C1=O 1126686969 LGUJSHXDEMXSGE-UHFFFAOYSA-N 430.457 2.082 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)c1 1141896447 FAGUBXREYUEOPB-GAJHUEQPSA-N 427.501 2.091 30 10 IEEE CN(CCNC(=O)C1CCN(C(=O)CC2(C#N)CCOCC2)CC1)Cc1ccccc1 1148286416 BHOAGSJIGZBLQK-UHFFFAOYSA-N 426.561 2.184 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@H](C#N)C1 1153859128 MNYXFPMZPUSLIJ-HUUCEWRRSA-N 432.431 2.370 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1211403947 AJVGGMXNMFPTQO-LJQANCHMSA-N 430.482 2.253 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1230736278 AMVVORZLLWQEGH-BGYRXZFFSA-N 448.589 2.040 30 10 IEEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)ncc1C(N)=O 1264677267 XEHQBPYXIFLPKB-PLRJNAJWSA-N 443.529 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1286433739 KAUMJTBRMSNVJN-UHFFFAOYSA-N 434.949 2.408 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccs1 1286535355 HUXPYQMVVHYVMC-LLVKDONJSA-N 434.385 2.495 30 10 IEEE C=CCCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1286691251 DAQXXHATXLNLSA-AUSIDOKSSA-N 447.580 2.114 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286692261 CQIOGTSIKGVRQW-INIZCTEOSA-N 449.577 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1286814535 UEEXOZPDAZKAMW-MRXNPFEDSA-N 449.552 2.451 30 10 IEEE COc1ccc(CNC(=O)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1292114284 VMPXOUYIIGMTDF-UHFFFAOYSA-N 429.517 2.078 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1293033322 VYTYRDYOTBTYPS-SELCWUDQSA-N 447.333 2.229 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1295793467 UZXKQZXICDFZEY-KGLIPLIRSA-N 439.509 2.498 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1296248319 APUZEQPGIBRXTR-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE Cc1cc(CC(C)(C)NC(=O)CCn2cc(C#N)c(O)nc2=O)ccc1Br 1298712125 BAFZLPLGRQUXHW-UHFFFAOYSA-N 433.306 2.419 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300485733 YMQVXXJSFFGYSM-NRFANRHFSA-N 429.590 2.102 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1300578323 KUVPKZSNSSSOQJ-JOCHJYFZSA-N 431.540 2.416 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC(C)(C)O)CC1 1300718669 DQLMPGBLABYUOX-UHFFFAOYSA-N 425.533 2.081 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2nc(C)cc2C)CC1 1301125301 NHMBXZCJSKKMQO-IBGZPJMESA-N 432.594 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C)C1 1301593606 QQIKGBDVVCRZFC-IYBDPMFKSA-N 438.525 2.211 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1301596635 UQIPEYFJUCWKFM-HLIPFELVSA-N 426.583 2.156 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1303628484 CFZQPLCYFGQYFW-GHTZIAJQSA-N 448.575 2.498 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOc2ccccc21 1305789106 CPCYGQITBSTDBP-SJLPKXTDSA-N 438.532 2.492 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1 1306258440 AQNIQTHGQNMMTR-KRWDZBQOSA-N 426.546 2.339 30 10 IEEE COc1ccc2c(c1)CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CCO2 1307774717 FEJQEJZLPIOFAJ-JOCHJYFZSA-N 438.503 2.438 30 10 IEEE C#CCOCCNC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1312363703 CWZORSFVEOKIRG-UHFFFAOYSA-N 430.549 2.188 30 10 IEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CCC1 1313979367 CTDBLVIPGDXAHV-KRWDZBQOSA-N 438.532 2.260 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H]2CC[C@H](CO)O2)c1 1358902968 GUXAICAKAKONSP-VQTJNVASSA-N 425.533 2.073 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359096893 IJHZESLXSOFSPJ-BJLQDIEVSA-N 441.580 2.353 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1359133788 ZHLMSAMTNBCUJM-LPHOPBHVSA-N 428.489 2.383 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](COC)C1 1359213679 CLZVGFHFALOQMN-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1359240426 NZIDDZPWHVMLCB-HNNXBMFYSA-N 433.525 2.059 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359297123 GGKBMWJLEKJMHN-MRXNPFEDSA-N 443.552 2.031 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)CC 1359301048 QHDOCFYQOWVUAA-KRWDZBQOSA-N 426.569 2.237 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(F)cc2F)nnc1[C@]1(OCC)CCOC1 1359306154 XWAUJYWKZSXHDN-NRFANRHFSA-N 435.475 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359330054 FGSQISGSRVJIHW-ZWKOTPCHSA-N 447.605 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1359332651 CTUCUBQALGFRLI-OALUTQOASA-N 446.573 2.385 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1=O 1437802192 BCZZDSMSMJEUHE-LJQANCHMSA-N 441.528 2.260 30 10 IEEE Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)c(C)c1 1453920021 NBGKIEXSEKOWQL-UHFFFAOYSA-N 426.542 2.458 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1456432215 JXQYWPRWNQVTLF-CYBMUJFWSA-N 438.406 2.078 30 10 IEEE CCOC(=O)C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(F)(F)F 1467015071 FRMQBSRMEWPLCC-ZDUSSCGKSA-N 429.399 2.139 30 10 IEEE C#CCC1(O)CCN(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 1471224624 GLDNDXMZARIWKR-GOSISDBHSA-N 435.565 2.352 30 10 IEEE C#CC1(O)CN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)C1 1472246695 OTBOZCZMCGNKAI-REWPJTCUSA-N 434.492 2.395 30 10 IEEE C#CCOCCN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1472438082 IOLCNHXYKHFLIO-SFHVURJKSA-N 432.521 2.464 30 10 IEEE C=CCN(CC(=O)OCC)S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1474891938 LRJLCQQUACLMEL-UHFFFAOYSA-N 438.546 2.416 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCS1 1494466738 GIHIZOZODBKFCM-QZTJIDSGSA-N 442.589 2.391 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1503541945 BBYKITTXNYQWCP-SFHVURJKSA-N 429.546 2.399 30 10 IEEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507871435 WUMQXCJODBHKHW-UHFFFAOYSA-N 428.924 2.336 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507881845 AHRPXKPUNKQSBF-UHFFFAOYSA-N 435.532 2.350 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1508000012 RPUYEIFTEPXBAQ-WMZHIEFXSA-N 436.516 2.099 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccn2)CC1 1508133871 MUGWXRVVWGAMEC-UHFFFAOYSA-N 442.545 2.169 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1508358907 HJHKVMGUIFHBNH-NRFANRHFSA-N 433.560 2.431 30 10 IEEE CC(C)(C)[C@]1(C)CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1508471486 VBGIHEJTDSYWKM-JCBINSKWSA-N 428.537 2.323 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1509952749 JOBZULZOSLNWJE-UWVGGRQHSA-N 444.849 2.422 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)n1 1511082421 CFCPFYPSTXGHDL-UHFFFAOYSA-N 445.527 2.439 30 10 IEEE Cc1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511847924 KEZMFDUZPPAPLA-FZFLATATSA-N 442.907 2.424 30 10 IEEE CCc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)no1 1513733767 GJPVXSUXVCEVDE-PBHICJAKSA-N 441.467 2.474 30 10 IEEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1=O 1514946240 KXTGJHJNYCRSSA-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1519162734 HJDJHXKDRQLDFF-GOSISDBHSA-N 446.515 2.155 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1519290139 BYQJSHSJZUFPDT-GHTZIAJQSA-N 434.585 2.243 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1c2ccccc2C[C@H]1C 1519322779 BSWRMNSUNBPIBM-GGPKGHCWSA-N 440.548 2.182 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539231277 QOGWZFXJDYEGJR-UYAOXDASSA-N 444.557 2.144 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1NC(=O)CC1(C)C 1539242576 XLXGYNYCJDIIML-HXUWFJFHSA-N 427.512 2.323 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H]2CCOC2)CC1 1539436136 KPDVHVQZXKJUOP-GOSISDBHSA-N 425.533 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2C[C@H](F)C2)CC1 1539466987 KZEJQAQTRFZEGB-SAABIXHNSA-N 446.571 2.301 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1540047520 JLGFMAAAZQYFNQ-UGSOOPFHSA-N 427.958 2.072 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1540275688 ADAWLAZMIHWDAU-UHFFFAOYSA-N 442.541 2.412 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 1540550567 UPRWWOSVPYCTIG-YOSAUDMPSA-N 440.544 2.279 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540908074 PJCAJSRTTBZSNH-ZBFHGGJFSA-N 436.582 2.050 30 10 IEEE CC(C)(C)c1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541152953 OVDIZBNIOQJJPX-ISLYRVAYSA-N 428.537 2.109 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(CC)C(C)C 1548171229 IFQMGNDTRWTXSL-UHFFFAOYSA-N 426.569 2.138 30 10 IEEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1554570953 OPKSCJREOZNFSQ-NRFANRHFSA-N 429.546 2.257 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)CC2=O)cc1 1556063506 DGUQNZPRRIEPSV-UYAOXDASSA-N 446.507 2.394 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 1557145057 IOEJTKPVTAMOIU-QFIPXVFZSA-N 436.533 2.329 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C 1557356096 DXRBQCGYCLEXBM-WBVHZDCISA-N 435.546 2.338 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1559930596 AETUOFQCLDVHOT-IBGZPJMESA-N 440.569 2.225 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 1566410013 RCLAQYPDQZQMBJ-GFCCVEGCSA-N 445.277 2.299 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588046039 WBWPCJYDXUMPRV-HOTGVXAUSA-N 434.949 2.262 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588073761 DHSSHOBMULHWGV-GDBMZVCRSA-N 437.591 2.010 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(OC)c(F)c1 1588078995 PCOPAAQRLKRCRT-UHFFFAOYSA-N 432.459 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCC1 1588228366 DYJSJNVSZJFETO-UHFFFAOYSA-N 446.603 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)C)C1 1588627892 ASDKMSINNRMWLU-SFHVURJKSA-N 442.564 2.212 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1588811924 NHCRGINDMZVTDC-OAQYLSRUSA-N 439.560 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 1588947548 QXXSSHQTPNUBSG-UHFFFAOYSA-N 446.559 2.071 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1593752201 DPDQDRVSKNVFOU-KRWDZBQOSA-N 433.503 2.261 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1593886036 PWEBLVRUYMZTRH-LIRRHRJNSA-N 440.928 2.170 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1594521021 JUDQJTXZKDWGHD-NRFANRHFSA-N 435.594 2.018 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1595516581 HQHSPYYKSDNLMG-GOSISDBHSA-N 447.543 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1595523053 OJTIKOAPMDXPFX-UHFFFAOYSA-N 428.512 2.081 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccccc1F 1595537396 QKHWAFDCJSGYFT-UHFFFAOYSA-N 440.479 2.474 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccccc1Cl 1598368071 HXNUGQCXRACFMI-UHFFFAOYSA-N 448.976 2.470 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCOCC(F)F 1609509570 UKDXTLURMLHYGC-QGZVFWFLSA-N 448.474 2.148 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1609766278 AWOXCIPUBLPYHP-UHFFFAOYSA-N 447.547 2.240 30 10 IEEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCNS(C)(=O)=O)c2ccccc2n1 1611933739 NHJJAUCYHXNNAB-HNNXBMFYSA-N 441.561 2.337 30 10 IEEE COC[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](F)(C#N)C1)OC 1619595172 DFXBPSBXEVOOAU-HRAATJIYSA-N 425.468 2.439 30 10 IEEE Cc1cc(CN(C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc(S(N)(=O)=O)c1C 1619638736 GESHAVOVFVMVAE-OAQYLSRUSA-N 443.569 2.421 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)c3cc(S(N)(=O)=O)c(Cl)o3)CC2)c(F)c1 1623601684 TUJGFUQEBCKIMU-UHFFFAOYSA-N 427.841 2.275 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)cc1 1626004414 PHRJKRUMEICBPA-XBYUIDQRSA-N 434.562 2.475 30 10 IEEE COc1ccc2nc([C@H](C)NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[nH]c2c1 1633533074 OHWZHFUVGKPLKG-ZDUSSCGKSA-N 427.486 2.254 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)n1 1634609440 VPBWHAJUMDLYGD-GOSISDBHSA-N 441.536 2.342 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNC(=O)c3ccccc3OC(F)F)C2)nc1 1635415649 MPOYNTOCERILSP-OAHLLOKOSA-N 429.427 2.388 30 10 IEEE C#CC[C@@H](CO)NC(=O)COc1c(I)cc(Cl)c2cccnc12 1637986079 KFNFZNQEKNOMDW-JTQLQIEISA-N 444.656 2.372 30 10 IEEE O=C(NCc1ccc(C(=O)NO)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 1639590946 FYJTYANUYGNCKR-UYRXBGFRSA-N 430.424 2.367 30 10 IEEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 1640070435 RHYHPYHHHALDOT-UHFFFAOYSA-N 435.299 2.070 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)s1 1640270595 GEVJETQOEJFWNY-WCQYABFASA-N 426.482 2.371 30 10 IEEE Cc1cc(Br)c(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 1640734323 JSHXCIYWLHARKD-UHFFFAOYSA-N 428.333 2.285 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1649540107 BEDFQOLVRUWQTI-UHFFFAOYSA-N 431.500 2.252 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1652905347 GITJOVHFEPPTSI-SJORKVTESA-N 428.537 2.027 30 10 IEEE COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)CC#N)CC2)cc1 1654491136 KBLMJBUVFMMXFU-QGZVFWFLSA-N 449.511 2.332 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(C)CCN(C)CC2)n(-c2ccc(F)cc2)c1C 1655692081 CDKDJBXBNAJPQK-UHFFFAOYSA-N 426.540 2.223 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1655842973 GORCJDXDRHVXEM-CYBMUJFWSA-N 433.456 2.191 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1689971318 XEQPFCVPZJUVLH-KRWDZBQOSA-N 437.577 2.204 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1689986172 KFRSVDSHKUPRHY-XLIONFOSSA-N 431.587 2.253 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1689986440 QASBASIMTKKFSP-KRWDZBQOSA-N 431.562 2.107 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1C 1690096710 YZMDWZLWIQBHMM-IEBWSBKVSA-N 446.573 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCSC2)CC1 1690137846 KJPPCRONURZYGZ-ROUUACIJSA-N 449.621 2.111 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)N(C)C)CC1 1690150750 TVQJBEHOEPQSBU-GOSISDBHSA-N 447.587 2.266 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCOCC)CC1 1690152204 BYBDBNVXHDGKNW-UHFFFAOYSA-N 439.560 2.476 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690179308 VBRPRBAGDSAWRD-UHFFFAOYSA-N 437.573 2.249 30 10 IEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1690183903 AMXUFVCYLUEUSV-SFHVURJKSA-N 447.992 2.398 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1690216113 JRXPNADSMPMUQJ-WIYYLYMNSA-N 429.546 2.012 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1690313018 JNYRJULXCMMBQX-GOSISDBHSA-N 438.594 2.168 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690470449 BTXLCNGPZZXOGK-MGPUTAFESA-N 437.541 2.092 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)F 1690559163 AHPLJDBLAAQHJC-KRWDZBQOSA-N 430.459 2.228 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@]2(CC=CCC2)C1 1690723631 XFTYFBNDCSJBHZ-DYESRHJHSA-N 433.578 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690731966 SUDVQXCERXBKNR-GOSISDBHSA-N 447.561 2.114 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)C1 1692846968 UGKTVWWDVYZYQB-HSZRJFAPSA-N 444.580 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705483121 NXIXWLRYPPEHHI-RXVVDRJESA-N 433.560 2.217 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1705603174 OLCJZYGKUKFJLG-UHFFFAOYSA-N 437.548 2.030 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)Cl 1705619005 DHWQLFJUAAZKKD-CQSZACIVSA-N 425.917 2.420 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCNS(=O)(=O)CC 1705671750 VSMQKOYVERYWKR-OAQYLSRUSA-N 431.562 2.275 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1705797275 STEWKBXBCFTVJZ-WTGUMLROSA-N 425.533 2.439 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1705843255 ATKFEVKUEXAFHV-XLIONFOSSA-N 429.590 2.249 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1705905071 IORYRZVDEQHPEG-UHFFFAOYSA-N 445.571 2.197 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1 1705907251 FRSLKCOUBAVSJW-QHCPKHFHSA-N 425.533 2.209 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1705926566 GUNPROWJWALLTA-YADHBBJMSA-N 440.592 2.402 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)cc1C 1707532148 DASUGUQJYVXYGD-HNNXBMFYSA-N 436.520 2.223 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccsc2)N(C)C)n1 1707832432 BRHJHYSQFGOGJX-RTBURBONSA-N 440.577 2.233 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(F)cc1 1710729409 CKRACVZHSQXWBL-UHFFFAOYSA-N 438.511 2.242 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1722314382 MHSXVKILPJMDGY-UHFFFAOYSA-N 448.527 2.385 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@]1(OCC)CCOC1 1722340513 APVUGSOJUXEUHJ-UGKGYDQZSA-N 428.537 2.138 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722368455 RVZXIXHZFGFXSE-OALUTQOASA-N 435.638 2.225 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722533339 OUTJULAPCOPIDF-HXUWFJFHSA-N 447.967 2.456 30 10 IEEE C=CCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690667 LUKKFXYKAQGNPA-IYBDPMFKSA-N 430.553 2.341 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722702937 RIFXYWGWXWWHPD-HXUWFJFHSA-N 436.516 2.351 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722706827 ZAKBHSOHKAWSAX-OXJNMPFZSA-N 441.532 2.172 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1722822919 XIMBUKOWHIFTGP-OAQYLSRUSA-N 449.559 2.096 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC=CCC3)n2Cc2ccc(C#N)o2)c1 1729343702 WXIJQLNMDDURKE-UHFFFAOYSA-N 438.513 2.475 30 10 IEEE CO[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1729881179 DAAFRMHBZHBYSN-LJQANCHMSA-N 426.569 2.457 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)cc1OC 1730044672 AHRDESKMPRVOML-LSDHHAIUSA-N 433.534 2.135 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ccn(C)n2)c1 1740564162 CUIAQSHINZHYDV-UHFFFAOYSA-N 440.511 2.102 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740577923 UAABYGMOXWMDIP-INIZCTEOSA-N 444.561 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOCC 1740646583 FCTMCFJBFNDTJH-UHFFFAOYSA-N 442.589 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@@H]1C 1740659813 UQPHVHBFRCVGGC-PWRODBHTSA-N 427.593 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCN(CCC)C2)CC1 1740705479 HWKPVLTXVRJPPQ-TZIWHRDSSA-N 442.608 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740758315 WDMBUBHPNPQBET-ZBPMNIRTSA-N 444.580 2.094 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1740883068 HXLQUCKBRTZBRU-UHFFFAOYSA-N 426.500 2.132 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740887921 GOTDDOSUQHCVEQ-FUHWJXTLSA-N 429.496 2.304 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1740890539 AYYUKXYECNZUJC-KRWDZBQOSA-N 432.594 2.155 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(F)(F)C1 1740988606 KBLRWYFJHTXEIK-UHFFFAOYSA-N 440.472 2.163 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C(C)C 1740991186 QDQBVVVJBBJGPC-GOSISDBHSA-N 449.552 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1740995552 PIXPKJXRYHZHPC-GOSISDBHSA-N 448.545 2.138 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)COCCO1 1741479723 MOZVFUHVXKTYBK-DEOSSOPVSA-N 438.576 2.476 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1748710062 FOXFHMAOFVDOGF-QGZVFWFLSA-N 430.459 2.386 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748731447 DCBPCGRZPMWRME-DLBZAZTESA-N 449.552 2.441 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1748843296 AFKLOZCHDLKDTB-WFXMLNOXSA-N 436.585 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(SC)CCOCC1 1748906362 CVQGANBCZUPUFR-OALUTQOASA-N 432.590 2.377 30 10 IEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCC)CC1 1748994795 ROTJROFYEQVAKF-UHFFFAOYSA-N 435.620 2.198 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749037217 BSPKJNHTZXTPQS-DLBZAZTESA-N 426.608 2.290 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1749054055 OKRHIPPNSQMMTM-LAUBAEHRSA-N 436.626 2.002 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1749142206 SQWAHKWWAWXWKQ-SFHVURJKSA-N 442.539 2.400 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(OC)c(C)cc2C1 1749677488 AIZZUKNIYWMLSC-UHFFFAOYSA-N 449.559 2.322 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(CCOC2)C1 1749680627 NDCKUQAEJPYFSU-HSZRJFAPSA-N 425.533 2.339 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1749740346 CXDXFMJKTXWUEL-KNQAVFIVSA-N 446.573 2.137 30 10 IEEE CC(C)(O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1750528731 LRCHHKQACIDUJO-QFIPXVFZSA-N 426.496 2.118 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1760108544 ZCGMBTSHAXFILK-HXOBKFHXSA-N 427.549 2.267 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760257026 ZAPGLSNEHCHWEN-AZUAARDMSA-N 439.560 2.269 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1760329524 CPQGIZNPCUVRLH-INIZCTEOSA-N 444.671 2.118 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760522455 UFSONLAPPZEQLR-UHFFFAOYSA-N 430.578 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1760555850 OYTQMNHOOQRLQI-IBGZPJMESA-N 444.557 2.382 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760695389 GOFHKJOYRXFZAE-RXVVDRJESA-N 438.576 2.383 30 10 IEEE CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1762349711 GPFIORBFPGYRTD-KRWDZBQOSA-N 435.536 2.005 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1763576553 BYMAJIPNFNNGRU-MRXNPFEDSA-N 426.521 2.380 30 10 IEEE CCn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CCO2)cn1 1765302560 ABQIOTDVEGEVDP-HXUWFJFHSA-N 448.531 2.136 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1 1766721746 GDVQLSRRWAGOCN-KRWDZBQOSA-N 446.577 2.294 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1766760116 MYMXZGJVOOWJBP-DEZBGZAISA-N 443.573 2.359 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1767571146 CEJWGLSNCYIJJT-INIZCTEOSA-N 432.532 2.144 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccnc1-n1cccn1 1770174464 ZQDORKIMQLMNMR-NEWSRXKRSA-N 436.520 2.369 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@@H]2CCOC2)C1 1770729410 ZANNJKQAUCHZOA-XLIONFOSSA-N 430.440 2.491 30 10 IEEE Cn1cc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(C(F)(F)F)n1 1852227870 UUZAENBRKLTKCB-INIZCTEOSA-N 438.406 2.247 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](c4cccc(F)c4)C3)ccc21 1856869179 YLBQYKLANPZMHC-HNNXBMFYSA-N 427.457 2.333 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862678936 YEAPWMSCZSMAJB-IBGZPJMESA-N 428.416 2.254 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1cnnn1-c1ccc(OC)cc1 1868814513 OUPHGVBFEWTTLK-GOSISDBHSA-N 429.546 2.328 30 10 IEEE O=C(NCc1ccncc1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933371 FCOWZPCXRMCHNI-IBGZPJMESA-N 438.484 2.187 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN1CCCC1 1870585579 DSPZIEBKFLPGQX-UHFFFAOYSA-N 446.529 2.199 30 10 IEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1871006966 DRJIXLDGOYGDJD-UHFFFAOYSA-N 426.473 2.103 30 10 IEEE C#CCOc1cn(CCNC(C)=O)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1871010637 MUBIGKFHVBROTC-UHFFFAOYSA-N 427.501 2.406 30 10 IEEE C=CCNC(=O)[C@H](CSCc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872597494 UOCBZOJADFSEPR-INIZCTEOSA-N 435.527 2.477 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C(=O)O)cc1 1874500900 GECHIXRQPZJRDH-UFWORHAWSA-N 432.487 2.192 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124523107 BMYKCGRWBNZQCY-UHFFFAOYSA-N 445.369 2.447 30 10 IEEE COC1(CCNS(=O)(=O)c2ccc(C#N)cc2)CN(C(=O)OCc2ccccc2)C1 2174779848 NRPDNXYLGNOXFP-UHFFFAOYSA-N 429.498 2.264 30 10 IEEE C=CCN(CC=C)C(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195276538 IUNTUYQCXOLZSZ-YVGXBJCXSA-N 436.530 2.094 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CS)C(=O)O 2229098742 SYKBGAOBLZZFPS-STQMWFEESA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2247772997 CNMDXMQZEPPUJP-BETUJISGSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247835382 KDHXPXRVMFLTCY-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE Cc1cc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2255612606 TULVGLIZLDGXJA-UHFFFAOYSA-N 426.244 2.106 30 10 IEEE Cn1cc(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255826387 AHNDACIZMNQEMX-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255841833 IWSQQDPKJKMWBV-GZBFAFLISA-N 449.382 2.428 30 10 IEEE Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999133 WFDPGYYZYAJAQV-UHFFFAOYSA-N 438.381 2.422 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267089379 CWZSEBIBUMJHFD-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267090695 MXALSFAYGQQRCV-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 2267153752 ZQLRAAZMDWAPKD-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2267271894 VQJAQKFRZIKPAU-QGZVFWFLSA-N 445.369 2.454 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(Cc2ccccc2)C1 2267483066 NFQLBVUXHXUFNF-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)n1 2267526771 XPSQXGWVSZRTEE-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267526993 AFDCIDKQUJCFKI-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1NC(=O)OC(C)(C)C 2267549732 PCEKWTCRQQZZSE-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE CN(CCNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)OC(C)(C)C 2317228939 JOCVUQPZAFEQCK-UHFFFAOYSA-N 438.305 2.427 30 10 IEEE COC(=O)C1(Nc2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)CN(C(=O)OC(C)(C)C)C1 2337029131 ZRDYOQMVIYBHOB-UHFFFAOYSA-N 447.341 2.264 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)n1C 2337329500 CUCLWHKEHUGQHH-MHECFPHRSA-N 436.365 2.032 30 10 IEEE COc1nc(N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339785554 YAOLVTQTICOUDC-OLZOCXBDSA-N 443.275 2.425 30 10 IEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)cc(OC)c1 20807099 HGCSKVWDNNJAEF-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE C=CCNC(=O)N1CCO[C@H](CN(CC(C)C)C(=O)c2cc(OC)c(OC)c(OC)c2)C1 37611750 RREHMGCLVYESCM-SFHVURJKSA-N 449.548 2.407 30 10 IEEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(Br)cc3)n[nH]2)cn1 59310793 UGYXRULNKNRWAP-UBKPWBPPSA-N 435.311 2.478 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccncc3)n2)cc1OC 59311076 PUFODBGIPKWRHB-FSJBWODESA-N 441.517 2.114 30 10 IEEE Cc1cccc(-n2c(=O)/c(=C\c3cnn(C)c3)s/c2=C(/C#N)C(=O)c2ccccc2F)c1 102697867 WTIXBOGVMDANMY-FBKOEAQLSA-N 444.491 2.466 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 111224410 PKVCLKGUELTASR-QGZVFWFLSA-N 447.333 2.128 30 10 IEEE COc1ccc(C(=O)c2c(NS(=O)(=O)c3cnc(C)c(C#N)c3)nc3n2CCC3)cc1 427745810 FHFICKWTQAKKFV-UHFFFAOYSA-N 437.481 2.445 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCC(=O)NCCN3CCCCCC3)CC2)cc1 432438739 CCSCLKIBTCSANW-UHFFFAOYSA-N 427.549 2.103 30 10 IEEE Cc1cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(C)c1O 469183631 BUIGTFYTHJTFDB-UHFFFAOYSA-N 442.541 2.139 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 481916594 DQCWASPSFKEHCU-VPWXQRGCSA-N 446.598 2.486 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccnn2C)c1=O 502054867 YSSJWIUDSKQEPJ-UHFFFAOYSA-N 441.516 2.083 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508487957 HUIPJWHYOQCVAF-MRXNPFEDSA-N 428.562 2.388 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)o1 531938845 IHCIJYJYLRAMLP-UHFFFAOYSA-N 449.532 2.159 30 10 IEEE N#Cc1ccccc1-c1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 539115998 WDSJDYGDKHASAU-UHFFFAOYSA-N 427.507 2.351 30 10 IEEE CC[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 544857607 WNGCCCXNVBPQBT-GOTSBHOMSA-N 448.571 2.464 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 548947514 ZKUSHTZELKACGZ-SFHVURJKSA-N 438.549 2.142 30 10 IEEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1cccc(Br)c1C#N 561530713 XLBQUWBJJLRIMO-VXGBXAGGSA-N 431.308 2.052 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cccc2F)c1=O 603799277 IBSQULUHJRZLIL-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 728830198 IGKFPSHNKCRIQM-XMMPIXPASA-N 432.480 2.395 30 10 IEEE CCc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 732494732 LALDGXHIJMYHNW-IRLDBZIGSA-N 444.491 2.372 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(CC)c3)c2=O)cc1 732562770 JHSZSMUCYWOMAM-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@]1(C)CCOC1 733078072 SJPXCDOIGPZDHE-PGRDOPGGSA-N 448.589 2.121 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCN=c2cc[nH]cc2)cc1 735862697 BGFZYZGSJUQOOK-LHLOQNFPSA-N 444.561 2.330 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccc(C(=O)NC)c2)C1=O 740616220 GREYDCBLMIYQAF-SFHVURJKSA-N 442.516 2.496 30 10 IEEE COc1cccc(C#CCOC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 749041260 SMRBHJGQMFPIAC-SFHVURJKSA-N 432.498 2.296 30 10 IEEE CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 754707587 VRAHNGIGRKIXMC-IBGZPJMESA-N 435.484 2.253 30 10 IEEE C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758075854 AGLCMSNASDBTSI-UHFFFAOYSA-N 448.573 2.439 30 10 IEEE COc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758749770 CAKPNKZDCCDXKQ-RDJZCZTQSA-N 447.511 2.425 30 10 IEEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)Cn3ccnc3C#N)C2=O)cc1 770643202 GOCZFFJCRVALGK-LFIBNONCSA-N 425.470 2.006 30 10 IEEE COc1ccc(CNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N 776896693 GUALDVYAHGGJTM-UHFFFAOYSA-N 426.424 2.469 30 10 IEEE CSCCN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1ccnn1C 789992922 XKGZPWOOPYQWCD-UHFFFAOYSA-N 435.600 2.500 30 10 IEEE C=CC[C@@]1(C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCCN1C(=O)OC(C)(C)C 790473362 NVTSBLXKNMRXAW-INIZCTEOSA-N 431.540 2.194 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@H]3CCCO[C@H]3C2(C)C)C1=O 799027268 WBDIUBJXPAAOIJ-ZDPRRSKRSA-N 435.565 2.330 30 10 IEEE CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801916385 WTWOYFZGFMWZJP-QGZVFWFLSA-N 432.532 2.432 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812387341 KIPITIRRXFVQCY-SJLPKXTDSA-N 432.521 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1cc(C#N)ccc1Cl)CCO2 814397560 JOCULFDAZWQYDN-UHFFFAOYSA-N 427.910 2.222 30 10 IEEE CCOc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)ccc1OC(F)F 837839544 MJJCABCMQQMQHU-HNNXBMFYSA-N 447.463 2.116 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cn2cc(Cl)ccc2n1 875769039 WONUNOXJPAUEAP-UHFFFAOYSA-N 431.905 2.123 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(I)cc1 916178469 YRUDCIKCJGDEKD-UHFFFAOYSA-N 426.235 2.423 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc1 1084049824 PWAFMIKHKFTIFG-AWEZNQCLSA-N 425.518 2.416 30 10 IEEE COc1cc(C=NNc2nc(SCCC(=O)NC(C)(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1084219984 BDPRDQIRCOYCLX-UHFFFAOYSA-N 437.482 2.270 30 10 IEEE C#CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 1124145907 DKBNFOARBUGKRE-UHFFFAOYSA-N 444.509 2.371 30 10 IEEE Cn1ncc(C(=O)Nc2ccc(Br)c(C#N)n2)c1I 1130039939 SUBVZNFPNPKYPB-UHFFFAOYSA-N 432.019 2.306 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CCO2)cc1 1134279197 QHROGENNUZKIRT-HNNXBMFYSA-N 425.388 2.460 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]([C@@H]3CCOC3)C(F)(F)F)CC2)cc1 1134510050 CDHPJCGWEMCRTQ-WBVHZDCISA-N 445.463 2.043 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)C1 1154959646 VHCMUVNWMCYRKW-IHPCNDPISA-N 447.601 2.380 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1165490129 UKMGPGBAGMIHSW-TZIWHRDSSA-N 427.526 2.151 30 10 IEEE COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1210925488 ACADZTPYCYAAJV-ZDUSSCGKSA-N 437.287 2.047 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 1235642257 ZIMKKUFDYWGMAQ-CQSZACIVSA-N 445.467 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1286272927 FQRLSKNNXACRQX-ZDUSSCGKSA-N 444.421 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1286398789 PHHWSWVUSBEGQT-UHFFFAOYSA-N 445.502 2.268 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1noc(CC)n1 1286406857 KFYZYODBHBAKOL-UHFFFAOYSA-N 426.484 2.392 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1286436424 HXCSWDDSYWDURJ-AWEZNQCLSA-N 440.367 2.463 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1286448293 RNOKLKGJUVFQIC-QGZVFWFLSA-N 425.514 2.343 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1286449920 AOZBNHLWURCORA-GOSISDBHSA-N 441.532 2.135 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(C)C 1286457868 GICBDQIQUKGQLP-IBGZPJMESA-N 447.580 2.299 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1286746023 MWTADMJSOAMDLT-YRVHBCJASA-N 448.614 2.284 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286759114 ITPHVSYSQHXEPB-QGZVFWFLSA-N 433.553 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCCOCC1 1286823115 JWGGVCCJTHQPOL-UHFFFAOYSA-N 434.562 2.247 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c(CC3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1299295313 DLBPQITYOXSWPG-OAQYLSRUSA-N 446.552 2.409 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2OCC[C@H]2C)CC1 1300718623 BXANDHBDAYHIAW-DYESRHJHSA-N 437.544 2.345 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]2c2ccccc2)C1 1301538717 KLBSFILXPSMDFX-FFGOWVMKSA-N 445.589 2.473 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCOCC2)C1 1301544292 WFCOKOLAYKJYMY-NQIIRXRSSA-N 427.549 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@H](C)C1 1301587405 ZFPQTONTGVYSJA-LSDHHAIUSA-N 435.550 2.089 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C1CC1)N(C)C 1301967371 CENPWACOQOJGAD-XLIONFOSSA-N 437.596 2.388 30 10 IEEE CSCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1302808457 ALHKQPDVOTUJRE-INIZCTEOSA-N 435.561 2.470 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cccnc3)n1CCOCC(F)F)C2 1302989652 NXBOAGOVALQMSM-UHFFFAOYSA-N 427.415 2.157 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cnn(-c3ccccc3)c2I)C1 1303559275 YBVYVNRZEQMGRD-AWEZNQCLSA-N 434.281 2.304 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(C#N)o1 1305657917 KJKZOOQAJBVEMH-LJQANCHMSA-N 442.545 2.318 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccc(C3(C)OCCO3)cc2)C1 1312468326 DLQJNVYFWSJCDQ-AEFFLSMTSA-N 430.505 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(CC)s1 1358889603 DVWQMSWQURMHKW-OAHLLOKOSA-N 437.577 2.372 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C2CC2)CC1 1358934070 OMVHBKBPWNYFIF-UHFFFAOYSA-N 440.573 2.132 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H]1C 1358940432 XIQPBTRVXXGZCX-INIZCTEOSA-N 429.594 2.100 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CN(CC(C)C)CCO1 1358941682 SWNAOGNOYXKPQN-OAQYLSRUSA-N 427.549 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)CC 1358986394 VVYFVPBYEJMMCF-KRWDZBQOSA-N 432.521 2.455 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCCn1cc(CO)nn1 1359015638 AAOHRRDXIHJLNZ-UHFFFAOYSA-N 446.490 2.293 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCN(C)CCOC)CC1 1359033152 RHONVVXXCDRBHY-UHFFFAOYSA-N 447.587 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1359294681 BAKWSPRYQNCTJO-KRWDZBQOSA-N 435.513 2.153 30 10 IEEE CC(=O)N1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1359366566 LESWGMLOFHPQAQ-FQEVSTJZSA-N 431.541 2.334 30 10 IEEE CC1(C)OB(C2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)OC1(C)C 1455327533 ODIFOTGRLFYOPZ-QWHCGFSZSA-N 425.278 2.294 30 10 IEEE CCOc1ccc(NC(=O)Cn2c(C#N)nc(C)c2C)cc1S(=O)(=O)N(CC)CC 1459201771 XTSNDXKHAKWHQY-UHFFFAOYSA-N 433.534 2.440 30 10 IEEE C=CCCSCCNC(=O)c1cc(I)ccc1-n1cnnn1 1461405964 HZTKXZXKANQEIC-UHFFFAOYSA-N 429.287 2.306 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)CC1 1465278306 FIMAMRWDHPENEF-AZUAARDMSA-N 447.601 2.333 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1471398230 OXGHBXBEVQNJMC-DLBZAZTESA-N 437.537 2.306 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCN3C(C)(C)C)nnc12 1472598715 HKSSIFHUPPBBTR-HNNXBMFYSA-N 440.573 2.311 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1492492656 FRXLICPAHIPYPU-WMLDXEAASA-N 434.566 2.180 30 10 IEEE COc1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1504265873 FBWHKUVBFIXPAB-QGZVFWFLSA-N 436.472 2.143 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ncc(CC)s1 1507709822 BJGHNSASERSYJG-UHFFFAOYSA-N 428.518 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1507797470 LQXBEXTXBOGTGP-PBEJRMEISA-N 441.532 2.344 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1508021991 VRTXCDYYLIIJJZ-IAGOWNOFSA-N 430.530 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCOCC2)C1 1508075968 YRSAXZIXYBLRFP-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1508084270 KTTBKEISRSDHMT-UHFFFAOYSA-N 447.543 2.258 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)OC(C)(C)C)C1 1508128367 ARJMGOZKDDTTGK-SFHVURJKSA-N 445.568 2.446 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1508406832 JPLVOHQOUWBVKS-HRAATJIYSA-N 449.531 2.318 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1510721252 FJVSFZMRKJWEAV-SJORKVTESA-N 439.520 2.201 30 10 IEEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1511595075 HYRHLPJRGXPFOR-UZLBHIALSA-N 448.597 2.004 30 10 IEEE CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1513284928 GXNVSLAFUAPXMH-UZLBHIALSA-N 425.585 2.330 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H]1C 1515817079 BDEVCIJJZGOLSF-ROUUACIJSA-N 439.564 2.174 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CCOC1 1516141469 HFXOHBUKPSNXTF-QHCPKHFHSA-N 440.548 2.210 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1521128585 FASKGUXMZYQXHE-AEFFLSMTSA-N 449.964 2.076 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(Cc4ccc(C)cc4)CCO3)cc2C1=O 1532337900 SGHOOJBSRHUZNT-FQEVSTJZSA-N 433.508 2.408 30 10 IEEE C=CCOCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1533814715 PKASZJBUUSIKNN-RDJZCZTQSA-N 430.364 2.361 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539059436 FSIHAJRKNONIEC-SIKLNZKXSA-N 437.592 2.076 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539752357 KUJAVQLAKLQQFL-LJQANCHMSA-N 437.548 2.214 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NC)c2)C1 1540893533 FIFCXRLEKOGTEP-OAQYLSRUSA-N 432.528 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCS[C@@H](C)C1 1540905435 WEOINPSQUYYVAY-INIZCTEOSA-N 436.603 2.420 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1546190943 HTOHTRWMJDWKQG-UWJYYQICSA-N 446.552 2.231 30 10 IEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1)C(=O)OC(C)(C)C 1547576623 BXWRWSOKZYLLOV-UHFFFAOYSA-N 433.557 2.413 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCc1cccs1 1554124376 ALWPPKCYIOVJID-UHFFFAOYSA-N 436.541 2.416 30 10 IEEE COc1ccncc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1555124124 FEVPKQFSSZNEID-UHFFFAOYSA-N 437.529 2.461 30 10 IEEE COCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(CC#N)CC2)cn1 1555571802 MIXIJUWLTGAYPO-PMACEKPBSA-N 443.552 2.023 30 10 IEEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1587965539 INMLAWBWNQOSII-AOIWGVFYSA-N 440.548 2.377 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCC 1588560988 XYMKUWKKVYGYDY-UHFFFAOYSA-N 425.533 2.356 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCSCC2)cc1 1588646026 FZIQLRGYGZHDLX-HXUWFJFHSA-N 441.601 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCCC2)CC1 1588947555 RBIBAHZFYBOMGJ-UHFFFAOYSA-N 435.572 2.448 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1589515498 OIJTXVUGYLZOBO-RLLQIKCJSA-N 425.533 2.186 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595871380 PHTBETNGDRPWHK-UTKZUKDTSA-N 431.537 2.385 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595884530 MXFJYLKAVLHQQJ-KRWDZBQOSA-N 445.593 2.217 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1609532669 PVCXJQZMNQISOJ-IBGZPJMESA-N 433.520 2.164 30 10 IEEE C=CC[S@](=O)(=NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)c1ccccc1 1616818703 ZSCYOJBGJQLJFN-MUUNZHRXSA-N 434.539 2.402 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1618043216 MIMQZPMFWTXEDS-YSIASYRMSA-N 434.500 2.024 30 10 IEEE N#Cc1c(NC(=O)CCOc2ccccc2I)nc2n1CCOC2 1623343647 FXFLXNKLCODQIA-UHFFFAOYSA-N 438.225 2.297 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(COC)cc(C(=O)OC)c2)s1 1624900088 YEMVGPSOGIMCDY-UHFFFAOYSA-N 438.527 2.327 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 1625623591 LTEJVXNWBSTJMR-ZHACJKMWSA-N 429.517 2.367 30 10 IEEE Cc1cc(C#N)cc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1626380041 XUYZYDYSUGMWFC-BPQIPLTHSA-N 433.530 2.475 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)s1 1628159246 VPJLWKPQRITAPQ-CQSZACIVSA-N 443.591 2.271 30 10 IEEE Cc1ccc(C(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCC#N 1630832348 PRJCHADZZZOQLP-UHFFFAOYSA-N 435.546 2.381 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)c1 1645670241 ZXXRTOBXXFWMTR-NRFANRHFSA-N 445.562 2.486 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1652332242 RZTZWKCBEWISBC-MRXNPFEDSA-N 445.520 2.496 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1655291731 CSOSAWAIOOLSCE-QHCPKHFHSA-N 439.516 2.363 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 1664000140 AEQFVJSOACCDAO-OAHLLOKOSA-N 447.504 2.429 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCS2 1685660023 CMUVHDCKELAVEE-BQIYRTECSA-N 429.546 2.002 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1689907598 DSWYYGLUTVBFMS-KSZLIROESA-N 430.509 2.075 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689987670 AHBUHTYHBUNCHY-RTBURBONSA-N 432.521 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccc(F)c1)N(C)C 1690003114 DKJJEZKCLFIAAT-QPPBQGQZSA-N 439.535 2.445 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1690206436 RABMKDZGBAUMHG-IIBYNOLFSA-N 432.521 2.368 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(=O)OC)C1 1690306233 QCLIRRWJENMNKZ-KRWDZBQOSA-N 428.489 2.308 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1692852857 LKHSSEXLGFVGBT-DYESRHJHSA-N 446.506 2.221 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)C[C@@H]1N1CCOCC1 1694931608 FUSLFDRXDZXJGW-UZKOGDIHSA-N 437.592 2.314 30 10 IEEE CO[C@@H](CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1697135426 JAQLBCCFFOKHNI-SUMWQHHRSA-N 444.389 2.415 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCSC1 1697627786 HDQKSIKBVRDDHU-FOIQADDNSA-N 447.586 2.176 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCO)C1 1698483404 BKAUBIXQXXHPQX-NRFANRHFSA-N 428.516 2.057 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1705563489 YSDDBKHXZPNYEJ-KRWDZBQOSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705564665 DNBLJUDEWMDTRS-SFHVURJKSA-N 429.546 2.014 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1705894416 YDTDKLXSRYAXOC-GOSISDBHSA-N 440.523 2.024 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](COC)C2)cc1 1705911460 IRDDUNWGSMESDI-OALUTQOASA-N 446.573 2.266 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOc1ccccc1 1706622696 VVEFWGOOWRYQIQ-IBGZPJMESA-N 437.548 2.062 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1706701924 FSTXPGICXJUKGG-HSZRJFAPSA-N 438.532 2.403 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCn2cc(C)nc21 1708758015 VADWGQPDNKXRKE-FUHWJXTLSA-N 440.552 2.008 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1709835879 GVEFWHLVELWANQ-IAGOWNOFSA-N 426.521 2.259 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@@H]2C)cc1 1711884576 BXJNSNYXRJNRMS-ABSDTBQOSA-N 427.505 2.267 30 10 IEEE COCCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1712609880 PKHJEYKWNIXGKM-OAQYLSRUSA-N 427.509 2.109 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@H](C)CC 1722296259 OIDSXHPVGXZJJC-QZTJIDSGSA-N 438.580 2.215 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722370363 NPZFOIYQAMJYNV-BZSNNMDCSA-N 444.557 2.148 30 10 IEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1722540530 GANGGFLCAFPXSD-GOSISDBHSA-N 445.589 2.245 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1722678229 XUYGGVRLYKDTSG-JOCHJYFZSA-N 444.605 2.187 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CCC2)C1 1722693517 QJNVANLKULCLHI-UHFFFAOYSA-N 449.353 2.345 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OCC)CCCC2)C1 1722717554 BWSDOLBDNLSCMJ-QZTJIDSGSA-N 438.594 2.311 30 10 IEEE CCC(O)(CC)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1727295126 ULEXUAXEKCXRPM-UHFFFAOYSA-N 446.559 2.408 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CC1(C(N)=O)CCOCC1 1727574703 CSLQVWIGWLPDTL-FQEVSTJZSA-N 436.560 2.453 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CC=CCC1 1728904267 ULLQQVXUWYANAQ-IBGZPJMESA-N 438.532 2.246 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCCC2)cc1 1730200820 FDZCHIRZXHIYET-NRFANRHFSA-N 440.548 2.470 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC[C@H]1C 1730407735 RQDRLMIATYIBHE-LLBVYWAGSA-N 441.532 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC(O)CC1 1740537602 XEGSXGKRIPBRGY-HNNXBMFYSA-N 449.397 2.351 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@](C)=O)cc1 1740548159 DOQVYTXNZQGQHO-QLCIJSRNSA-N 439.541 2.391 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740715449 JGRJGPHWCKMUII-WBVHZDCISA-N 445.593 2.394 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740720959 SCRNMUUCKZMJCI-IRXDYDNUSA-N 430.603 2.248 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN2CCCO)CC1 1740842614 GFFLXDNMPHFKKO-ACRUOGEOSA-N 433.597 2.251 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(N)=O)nc1 1740916853 ZEWVXIZYGUMGKV-FQEVSTJZSA-N 443.511 2.388 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1740954759 GFTBUTANIWJNDA-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740962817 PORZGVAPVXAVKG-NRFANRHFSA-N 431.562 2.007 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1740969379 YCTIUKKDDMHDNU-IRXDYDNUSA-N 449.577 2.117 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2c(CC)nn(C)c2OC)C1 1740981120 MDCDTEDAHXFFTC-SFHVURJKSA-N 437.548 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 1740989808 YQBNRWOATVLQCF-UHFFFAOYSA-N 447.605 2.475 30 10 IEEE CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741307795 NHKXDHGWKCBPBT-HSZRJFAPSA-N 433.516 2.206 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1743903179 LQXFFMKEQCLGOH-ZLGUVYLKSA-N 436.532 2.065 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804938 MPYQTWDHPVSTIP-HBMCJLEFSA-N 428.558 2.381 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1748825470 ZNLSWTSSJUEJQB-FQEVSTJZSA-N 430.574 2.301 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccn(Cc2ccccc2)n1 1748874993 HFKOKHNWHJVCMT-GMAHTHKFSA-N 444.539 2.368 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1748927902 XKHVBWZHGRHFLS-QGZVFWFLSA-N 428.537 2.256 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(C)nn(C)c1C 1748950500 LVRCPJGCQYITGD-UHFFFAOYSA-N 438.532 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CC(C)(C)C2)CC1 1749003392 IBBLCXCRTSRZTL-XMMPIXPASA-N 443.592 2.332 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1749246935 KFUNODIUHIQBER-OALUTQOASA-N 434.562 2.196 30 10 IEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1749269825 XJIHUWBYLMANBN-MRXNPFEDSA-N 426.926 2.414 30 10 IEEE COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1749332033 DPBFMIVSJHHPIY-LJQANCHMSA-N 435.532 2.143 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)CCOC)C1 1749704122 WINDQBIABIKUMN-JPYJTQIMSA-N 444.532 2.285 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1750523823 DFQBZQSQUWPZOO-XCGPWYQPSA-N 437.610 2.473 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1751474910 LUIXAXCQLBJHJL-XOMICKMZSA-N 440.504 2.378 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1751851692 YROOGRRFTQRTHQ-QZQOTICOSA-N 438.536 2.047 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC(C)C)N(C)C 1760215120 PFERLZIWKODZBM-JOCHJYFZSA-N 445.575 2.360 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(C)(=O)=O)CC1 1760255638 MOFLZVSQRPBRGE-UHFFFAOYSA-N 429.590 2.042 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760354683 JWFZDBGAWKSJBV-FQEVSTJZSA-N 428.581 2.425 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc(Br)cn2)CC1 1760404054 QIXFGZYCGIPTCY-UHFFFAOYSA-N 436.358 2.478 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760433576 INTBJUKZYPXKKB-NRFANRHFSA-N 445.545 2.346 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1760530022 OMXVFKNWSXNPKS-IEBWSBKVSA-N 425.533 2.452 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)C1 1760543595 UOAACSITRCQEHB-DLBZAZTESA-N 427.505 2.076 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)c1C 1761590551 HHRGGHVEOVZIDG-HKUYNNGSSA-N 438.532 2.290 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCNS(C)(=O)=O)n1 1761915165 ULEDWSQNNQABLL-UHFFFAOYSA-N 439.545 2.096 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(OC(C)C)nc1 1763112004 CAQOFEDHHMTQPY-KRWDZBQOSA-N 447.547 2.448 30 10 IEEE CCC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1763889775 SDJBADALQNBYMP-ZHALLVOQSA-N 440.552 2.321 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1 1766721747 GDVQLSRRWAGOCN-QGZVFWFLSA-N 446.577 2.294 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H]2C)CC1 1768173463 GVKAXPSTFJZQKC-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1769308497 YVYYKDABHJEIGG-GOSISDBHSA-N 438.532 2.260 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C1CCCCC1)N(C)C 1771222456 IIRUNYXDCWKNRW-YZGWKJHDSA-N 434.585 2.241 30 10 IEEE CCc1noc(-c2ccn3c(CC(=O)N4CCN(c5ccccc5C#N)CC4)nnc3c2)n1 1851263853 HQUCNMXXOTVRQU-UHFFFAOYSA-N 442.483 2.105 30 10 IEEE CCOc1ccccc1N1CCN(C(=O)CNC(=O)c2c(F)ccc(C#N)c2F)CC1 1851362687 DHIQRDKEOMOAMN-UHFFFAOYSA-N 428.439 2.314 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)C1 1852148482 RPOQWDDWLJUIKH-CTNGQTDRSA-N 437.521 2.291 30 10 IEEE N#Cc1ccc(OCCO[C@@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)cc1 1852369193 OQLUPSNYZATHPA-FQEVSTJZSA-N 428.510 2.419 30 10 IEEE N#Cc1ccc(CC(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)cc1 1852720657 QEUARAJTWRBVKT-LJQANCHMSA-N 426.494 2.109 30 10 IEEE Cc1c(CN(CCCN2CCc3ccccc3C2)C(=O)c2cnc(C#N)nc2)cnn1C 1853565681 HIWIAENMINSPJV-UHFFFAOYSA-N 429.528 2.481 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CCC(F)(F)F)C(=O)C3)C2)c(F)c1 1854319204 QPBFDEOJUAZLOI-INIZCTEOSA-N 426.414 2.285 30 10 IEEE N#Cc1cc(C(=O)N2C[C@H](CN3CC[C@@H](Oc4ccc(Cl)cn4)C3)CC2=O)ccn1 1857229117 KFCWUFKBUHZGNV-KBXCAEBGSA-N 425.876 2.144 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(SC)cc2)C1)[C@H]1CCN(C)C1=O 1857240348 NEZJPWQGNZEPGZ-QUCCMNQESA-N 429.586 2.435 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1864954156 YCIOEHBLNFUTQS-INIZCTEOSA-N 427.461 2.466 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CSc1nnnn1C 1870202638 CGDUSZAHLALKKT-UHFFFAOYSA-N 440.529 2.484 30 10 IEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1871034425 OPSUMVOPNIDBHC-UHFFFAOYSA-N 442.472 2.101 30 10 IEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccn1 1874339430 VZZHBFXGNRQZQJ-XHADFYDMSA-N 430.534 2.325 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)CC1 1889297573 YZOFEPBDBLGXNC-UHFFFAOYSA-N 438.494 2.363 30 10 IEEE COc1cc(Cn2cccc(C(=O)N3CC(Oc4cccnc4C#N)C3)c2=O)cc(OC)c1 1891503278 GWQKBBVMSPIEEF-UHFFFAOYSA-N 446.463 2.084 30 10 IEEE C#CCOC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1891675335 ZXWXVGJDLSMVPF-GOSISDBHSA-N 444.475 2.499 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1990495298 RAOMUMJOJBKLTK-JKSUJKDBSA-N 425.574 2.404 30 10 IEEE CNc1ncnc(N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1C#N 2005655971 CZLYFWAWIROBOT-UHFFFAOYSA-N 435.529 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2044522686 NRWJELMPCSJZLI-LJQANCHMSA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2060624243 WLCQHPCCUVPYIP-HLFMIMNKSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3C[C@H]4C(B5OC(C)(C)C(C)(C)O5)[C@@H]4C3)[C@H]21 2060635897 QJJZXPGUFMPPAT-XPLWTBFPSA-N 434.342 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CCO 2224096053 RRXLLDFZRRRUHK-KRWDZBQOSA-N 433.358 2.189 30 10 IEEE Cc1cnc(O[C@@H]2CN(C)C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224123883 JYJYSEHDDMEYEV-DLBZAZTESA-N 433.358 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@@H](N)C#Cc2ccccc2Br)C1 2227476033 OAKMRDPKBCUUBT-ULQDDVLXSA-N 425.323 2.125 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905319 HBITUFBJXATUHP-QWHCGFSZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248403377 DEGYWUFVCKSAPT-JOCQHMNTSA-N 437.371 2.362 30 10 IEEE C[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)N(C)Cc1ccccc1 2255608744 AJNXLHUTNORNPN-KRWDZBQOSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255643984 DUVJYDAIYGIOCT-YEJXKQKISA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255953660 MDFMOXKPROIJGG-UHFFFAOYSA-N 436.314 2.268 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256664437 CKNQGGIBUCIZCK-CQSZACIVSA-N 449.382 2.365 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2257490652 FSPNGGYHYQIEPZ-GDBMZVCRSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267142345 SLEKACDNXFASQS-QFIPXVFZSA-N 446.357 2.325 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2267143144 DFKWYCKXWXVGSW-PEBXRYMYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N(CCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267265414 FUPGRLOYIFFNMV-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CCC2 2267515401 NXEOJLQWIZWNQC-CQSZACIVSA-N 446.357 2.371 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267549241 KXCJIKOFRDJONA-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2267603518 DWYINHFONJVTTH-LSDHHAIUSA-N 438.255 2.282 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873044 NBFBFRZUDHXAPB-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267884778 SQFYLLRZTPHVIE-UONOGXRCSA-N 446.357 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268699310 FSZMNJFTCMJFQR-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE Cc1nc(NC(=O)[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268705286 CBMOGZZNYWCTPC-JLCFBVMHSA-N 444.341 2.280 30 10 IEEE CC1([C@@H]2CCCN(S(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282858553 YVEXRMLGBYSAML-CQSZACIVSA-N 443.396 2.211 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)C1=C(O)c1ccc(Cl)cc1 2296073455 BPHSBXKFVTWSRF-IBGZPJMESA-N 427.888 2.489 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)cc1OC 2296614109 LXTLCSAGVIJNRW-IBGZPJMESA-N 428.489 2.027 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2nc(F)ccc2Br)CCN1Cc1ccccc1 2342394725 ZDGIIGUZAAKDEZ-AWEZNQCLSA-N 439.310 2.382 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343635370 GFALMTRZMPSVEL-SJORKVTESA-N 449.332 2.410 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)cc1 21315691 QUSHPWICKIZKDT-UFFVCSGVSA-N 425.474 2.077 30 10 IEEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 22628885 KTNAMGCRWKJDBK-UHFFFAOYSA-N 442.419 2.244 30 10 IEEE N#Cc1c(N2CCC[C@@H](CO)C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3c1cccc(F)c1 25463543 PAZCVJVIESBYEC-GFCCVEGCSA-N 447.474 2.234 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 59887548 VRAKUVSXHJDQJL-AWQFTUOYSA-N 448.940 2.441 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1OC 103226942 IDCSARZPTDJXQC-LCPUNJGISA-N 425.485 2.472 30 10 IEEE COc1ccccc1C(=O)Oc1ccccc1C=NNc1nnc(C(C)(C)C)c(=O)n1N 254302427 KKOAHFHMHZTBIW-UHFFFAOYSA-N 436.472 2.323 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 409492238 PNISDZUIZRNTMA-JQWIXIFHSA-N 425.864 2.258 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CSCCN3Cc3ccccc3)CC2)n1 429004272 DYEIJEHMSWHPHX-OAQYLSRUSA-N 436.585 2.402 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cccc(Cl)c1 441221702 AOVBJSMRTHMPQF-RWQQGDIJSA-N 433.892 2.012 30 10 IEEE COc1cccc(C2=CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)c1 460613597 IOQSLDSYBQPGLF-UHFFFAOYSA-N 442.479 2.710 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 481521126 SGTJBLNBTZOLMR-KBXCAEBGSA-N 427.482 2.317 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2c[nH]c3c(Cl)cc(Br)cc3c2=O)CC1 503642829 MRAUSUROFIDNDY-UHFFFAOYSA-N 437.681 2.142 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C 508157778 JYHSRHKTDUHKQP-UHFFFAOYSA-N 427.310 2.176 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 508929926 JRAQGSHKGXAQTD-OAHLLOKOSA-N 432.326 2.334 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 509000031 ILWDBNOXWHDTQM-OAQYLSRUSA-N 442.545 2.020 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1 513107073 CMKORRVLDMQDCZ-GOSISDBHSA-N 434.475 2.424 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 514523447 CAMFYNCEOFGJBR-UHFFFAOYSA-N 435.461 2.232 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CC3)c2=O)cc1C 518718205 CJPCFWOHHXRYLR-UHFFFAOYSA-N 425.554 2.145 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cc1C 523652156 JJIQMZJLGHRNRK-SFHVURJKSA-N 438.549 2.278 30 10 IEEE CN(C)C(=O)CCN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542031964 DKZOKZLMSXXTOL-UHFFFAOYSA-N 429.912 2.025 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2C[C@H]2CCCO2)c1 549870322 BAQVUWNOUWQOAS-HXUWFJFHSA-N 443.511 2.353 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 574188974 RKQPUWHJAJQUFT-UHFFFAOYSA-N 433.603 2.352 30 10 IEEE CC(C)=NN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 583925989 AMDGMAYGWHHINA-SECBINFHSA-N 443.330 2.265 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 609627171 PPYCEWVKILQZLU-SFHVURJKSA-N 434.500 2.451 30 10 IEEE COC(=O)[C@@]1(NCCS(=O)(=O)c2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 611265987 GBHSMLCGIUVZKM-HSZRJFAPSA-N 441.553 2.129 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 619767627 BJPYKESETUHQSL-UHFFFAOYSA-N 447.948 2.152 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](CN2CCCCCC2)C1 728533360 IUVXTWLDPNHOKA-SFHVURJKSA-N 432.590 2.230 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1Cl 730403711 CSDCYMSNIGFKOU-NSHDSACASA-N 439.827 2.348 30 10 IEEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CCN1C1CC1 732649908 UOZWZQBCNKYERS-FQEVSTJZSA-N 436.537 2.250 30 10 IEEE Cc1cc(=O)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1-c1cccc(C(F)(F)F)c1 732652334 WLRGYNBZTRVROF-KRWDZBQOSA-N 431.418 2.372 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732673126 VSNUEVCJSAHNAI-XLIONFOSSA-N 431.334 2.095 30 10 IEEE N#C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CCN1C1CC1 732698298 XBOOJEKBZZVXBX-MRXNPFEDSA-N 434.338 2.490 30 10 IEEE C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 734601222 PNSSYODHJDCWFN-HNNXBMFYSA-N 442.497 2.312 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(Br)c3)c2=O)cn1 735069376 SWUMDMDLDLGWCN-UHFFFAOYSA-N 440.326 2.295 30 10 IEEE Cc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1NC(=O)CN1CCCCC1 746173491 GSBGBEYMNBUYRG-GHVJWSGMSA-N 439.516 2.274 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nc([C@@H](C)OC)no1 747933652 ROMXPBBVGVXBGW-HIFRSBDPSA-N 449.533 2.033 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 749531295 VBIBHAPDTQFMDK-HXUWFJFHSA-N 446.507 2.468 30 10 IEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 757293275 FFFOFGUWTIGVSF-SFTDATJTSA-N 438.480 2.422 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cs1 760771731 GAOWQSNYSBKDMY-UHFFFAOYSA-N 428.518 2.397 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(CCc2nnnn2C)C1=O 771550962 ZTQAPXQHXBFHQF-GOSISDBHSA-N 449.540 2.187 30 10 IEEE CCOC(=O)c1c(NC(=O)NC2CCN(C(=O)OC(C)C)CC2)c(C#N)cn1CCOC 775766179 WJQIZPHEQSDLFJ-UHFFFAOYSA-N 449.508 2.314 30 10 IEEE CCOCCOc1ccc(Br)cc1S(=O)(=O)Nc1cnn(CC#N)c1 779831171 ASANKMUIHFBWTG-UHFFFAOYSA-N 429.296 2.385 30 10 IEEE C#CCNC(=O)[C@H](C)OC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 780119987 YBSOCYWOYHBBMU-COSNYCCFSA-N 429.469 2.330 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)CCCC1 786292309 CFGSOJBZENCPIV-UHFFFAOYSA-N 441.488 2.343 30 10 IEEE Cc1cc(C)c(N2CC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2=O)c(C)c1 788941625 GRTNRSBMCGINRC-OALUTQOASA-N 447.543 2.299 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCc3c(Cl)cccc3C2)n1 789221231 BKGOBLISBUOPCW-UHFFFAOYSA-N 429.952 2.386 30 10 IEEE COCCCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 800706279 AHDIEPCANIKQRR-HKFYNFFUSA-N 430.549 2.386 30 10 IEEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(Cc4ccccc4)c3=O)s2)cn1 800846585 ODQVZYOTPNRIIZ-UHFFFAOYSA-N 429.530 2.447 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3c(C)cccc3C)c2=O)cc2c1OCCO2 838349132 MTGCETDTRRJMJG-UHFFFAOYSA-N 445.500 2.322 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)CCCOc3ccc(C#N)cc3OC)C2)n1 856699685 MDHLKMXDYFYMDP-QFIPXVFZSA-N 428.489 2.267 30 10 IEEE COc1ccccc1[C@@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 915094917 KTJUUOLUNDFFEB-SFHVURJKSA-N 445.541 2.144 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 916179172 QBGJKWVZNIFSIB-UHFFFAOYSA-N 440.506 2.456 30 10 IEEE CCOc1ccc(C(=O)N2CCC(NC(=O)NCCNc3ccc(C#N)cn3)CC2)cc1 916228531 DMUCFYOYNMAYMY-UHFFFAOYSA-N 436.516 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CCOC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1122643719 MCIUTQVSNWFEMA-IEBWSBKVSA-N 443.500 2.480 30 10 IEEE CC(C)(C)OC(=O)[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1131537820 ACVBZJXEZQUVLE-JOCHJYFZSA-N 443.525 2.098 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 1133157200 IASPJQNUNSRSHF-AWEZNQCLSA-N 447.351 2.327 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2CN2CCCC2=O)s1 1141445227 JXJSSMULOXCNFF-UHFFFAOYSA-N 447.582 2.194 30 10 IEEE COC1(C(F)(F)F)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1142487638 CVZDLZLUZUELGN-UHFFFAOYSA-N 433.452 2.075 30 10 IEEE CCO[C@H]1C[C@@](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)(C(=O)OC)C1(C)C 1154490736 GZJAUMDTEWCSAA-GAJHUEQPSA-N 436.549 2.500 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)C2=O)cc1 1156977837 GKNKKQRRKYHSHH-CVDCTZTESA-N 436.468 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)C4(C#N)CCCC4)CC[C@H]32)CC1 1161791270 CVEYLZQOAWHVFT-ZWKOTPCHSA-N 445.564 2.465 30 10 IEEE CC(C)(CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1COCC12OCCO2 1203304017 FKLPKNBIODGVOJ-KRWDZBQOSA-N 429.452 2.420 30 10 IEEE Cc1cc(C)nc(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)n1 1211208784 GNKBMLZLFPANPV-UHFFFAOYSA-N 436.335 2.239 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1286298767 OWGGKRWQJSOFOD-ZGXWSNOMSA-N 435.638 2.396 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286365944 NVFHIOOKXYPDII-BCDXTJNWSA-N 445.589 2.468 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCNC(=O)c2occc2C)CC1 1286480434 WNQVWIGQWQNINB-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(C(OC)OC)c2)CC1 1286491114 FUXQLHKYIAQZBH-UHFFFAOYSA-N 425.533 2.146 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1286512733 NMWOIRKQTSKLRR-MRXNPFEDSA-N 427.640 2.050 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(C)C1 1286790450 FHJZGMPDYBYOIK-KRWDZBQOSA-N 446.552 2.045 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCS1 1287298789 HUMFYODLVHAZFB-SFHVURJKSA-N 449.602 2.351 30 10 IEEE CC(C)CSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287868442 AERVHAJMZACHFZ-KRWDZBQOSA-N 441.561 2.153 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1288526187 SPCJFUFVCVGDFZ-VQIMIIECSA-N 435.507 2.486 30 10 IEEE CCn1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)c1=O 1295948903 CZLQIMUSSVJYCU-UHFFFAOYSA-N 446.559 2.300 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1297777984 GIMYSWSGMWIXJD-OAHLLOKOSA-N 427.534 2.028 30 10 IEEE CN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1298345844 MFHVVMQMVDWHCK-GHVJWSGMSA-N 443.511 2.427 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1)C(=O)OC 1299179877 YPWVLZOILPRRPQ-IBGZPJMESA-N 430.482 2.181 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)NCC)CCC1 1300322516 SLVNDWNXILHMOY-OAHLLOKOSA-N 428.562 2.034 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCOCC2)C1 1300421998 VTIMHGPAYCVOHH-UHFFFAOYSA-N 429.546 2.069 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300496356 QAVWBGJMHUXMDT-LJQANCHMSA-N 435.638 2.225 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N(CC)CC)CC1 1300709746 DHZOXUOCEZDUGW-IBGZPJMESA-N 428.556 2.482 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1300965383 NCDDYMZPYHHILP-NFBKMPQASA-N 432.613 2.111 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(OC)ccc2OC)CC1 1301066048 NBHUXYNBWMIBJX-HNNXBMFYSA-N 435.550 2.110 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1301109555 LBTJQGOUKOWWSA-QHCPKHFHSA-N 425.533 2.480 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1301459196 VVSZDHZLINFNBC-AQNXPRMDSA-N 430.597 2.175 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC(C)(C)C2)CCOC1 1303507472 VDJWAVWAHXKMJW-AUSIDOKSSA-N 446.596 2.169 30 10 IEEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1314533125 AJQUYLHHNWCXJL-FQEVSTJZSA-N 441.557 2.382 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C(F)(F)F 1315174334 SKUWOWMELAEMDJ-OAHLLOKOSA-N 443.451 2.019 30 10 IEEE Cc1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NCc2ccon2)cc1 1319372260 BPVRVODGTSNIPR-UHFFFAOYSA-O 445.546 2.455 30 10 IEEE CCCS(=O)(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1355991929 SFJBWKADBMDOCY-UHFFFAOYSA-N 428.352 2.184 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358955488 MVPLPWZNLGQLEH-QGZVFWFLSA-N 447.580 2.456 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCc1ccccc1F 1358978383 LEEPLKNIDGAMRD-SFHVURJKSA-N 446.573 2.326 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CC1(O)CCS(=O)(=O)CC1 1359016632 INEOFYGOVLCVLD-UHFFFAOYSA-N 446.548 2.264 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1359267335 COGIUYUXVQHTFQ-UHFFFAOYSA-N 431.562 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359293942 FKMJGHRFABHMMF-QZTJIDSGSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359295063 OLULOGHPFNTQFV-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1359298914 PGRXFFOGGKDLRZ-UHFFFAOYSA-N 449.559 2.471 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1359299199 YFYVQNGPJHKJAX-UHFFFAOYSA-N 436.560 2.299 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCCN2CCN(c3ccncc3)CC2)C1 1359321725 KRMDRKMKIKSUHP-OAQYLSRUSA-N 425.581 2.229 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2=CCCOC2)C1 1359324149 DOGCIOZWYUPGQD-QGZVFWFLSA-N 429.546 2.398 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1463871156 GCXCVAPMLNEJFV-AWEZNQCLSA-N 429.384 2.339 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1471522510 YNGNXTQFIRJVSQ-UHFFFAOYSA-N 438.549 2.424 30 10 IEEE C=CC1(CC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1472444383 LCAJAWFNFAUQHX-JKSUJKDBSA-N 439.553 2.144 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cc1 1475974428 UXYSGOJDQYGULM-QGZVFWFLSA-N 448.467 2.025 30 10 IEEE CCn1cccc(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)c1=O 1502236740 FDJIBCBQJVWIKQ-UHFFFAOYSA-N 446.559 2.399 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C2OCCO2)c1 1504888100 IBZAFFHDXXEOKF-LJQANCHMSA-N 427.505 2.242 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OC(F)F 1504998147 HNCCDCPCHNSLOP-GOEBONIOSA-N 437.447 2.381 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1507536412 BYMADKNWZUBIEQ-WFXMLNOXSA-N 441.601 2.085 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507571023 OHRDGZBCRXLPTR-GOSISDBHSA-N 427.530 2.156 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1507590913 GLVGCJAMOCRATO-HXUWFJFHSA-N 434.544 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)cc1 1507636512 GXLSYSYESSRIIA-UHFFFAOYSA-N 448.571 2.154 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1507636617 BJPIDLBOABHNNM-WOJBJXKFSA-N 428.558 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCCC1(C)C 1507648972 WVHZBKOZXDXHHV-RUZDIDTESA-N 444.539 2.206 30 10 IEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1507692304 QSOUJGXHECFOLF-GOSISDBHSA-N 440.573 2.234 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)C 1507845203 BJGKIZHIWCCVOB-LJQANCHMSA-N 429.521 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1Cc2ccccc2[C@H]1C 1508131664 OOEAHMLUAIPLRR-MRXNPFEDSA-N 429.546 2.196 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cc(Cl)cn2)CCOC1 1509809593 WRSRDVCHAJZTEJ-RTBURBONSA-N 437.907 2.311 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCO)CC1 1510294647 HEXFCVLCZMXEPN-UHFFFAOYSA-N 427.505 2.245 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1(C)C 1512284964 HPQZZRDTFALVBB-OPAMFIHVSA-N 443.573 2.239 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1516811629 GSMGDQZRHBGDBY-NRFANRHFSA-N 447.561 2.430 30 10 IEEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1517868062 VXULYPDERLWUCC-QFIPXVFZSA-N 442.495 2.182 30 10 IEEE COCCOC1(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C#N)CC2)CCOCC1 1519343206 CWOIJBMTLKZZOD-LJQANCHMSA-N 433.553 2.472 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)C[C@@H]21 1519481038 LZBWYICNHVDREX-IXDOHACOSA-N 430.459 2.059 30 10 IEEE C#CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1 1529676288 VWADHVSAHUPPSQ-UHFFFAOYSA-N 430.574 2.408 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(CC#N)c3ccc(F)cc3C)CC2)c1 1531242184 XKSSAHQNZHOVPP-UHFFFAOYSA-N 444.532 2.451 30 10 IEEE CCCOc1nc2ccccc2cc1/C=C\C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537006114 QLIJCQFVTGEZRP-HGHFLKBRSA-N 425.510 2.434 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1538308891 ZAXOQTDBYBRDIY-KKSFZXQISA-N 440.481 2.217 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539115942 IQIOOEUIOCMHBB-GOSISDBHSA-N 428.562 2.066 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cn(C2COC2)nn1 1539238573 APRFFMYJXIXQSY-IBGZPJMESA-N 445.527 2.319 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1539326601 XMYLHCXBRWRNKW-QFIPXVFZSA-N 443.507 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CN2CCCC2)CC1 1539475404 FDWBGBNGXSMIIA-IBGZPJMESA-N 435.576 2.038 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539750385 MTUIXZGNDAHJCA-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1540081399 WTOKIASQKLMBHH-UHFFFAOYSA-N 432.575 2.235 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@@H]1OC 1540193617 AAXBRRWBVOMHSR-NQIIRXRSSA-N 444.532 2.407 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540880651 MYWDVNMNWOEDHB-UHFFFAOYSA-N 433.578 2.219 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCOC2)C1 1540894934 HSHXGUFXIMKIQR-DLBZAZTESA-N 431.562 2.478 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 1541115233 ZFLDEWSJGITJPN-QOMWVZHYSA-N 438.513 2.461 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)cc(N2CCCC2)c1 1542978215 KBOLEGCUYBOKQN-ZPHPHTNESA-N 433.306 2.306 30 10 IEEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H](C)C#N)on1 1543437000 CHCHIACRZVCLLC-CQSZACIVSA-N 443.533 2.136 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1544345450 HHPPLCLDPLPECP-INIZCTEOSA-N 428.510 2.141 30 10 IEEE C=CCNC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1546179634 RUNBYNMIHMDXFA-OAHLLOKOSA-N 426.311 2.433 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N(C)C)cc1OC 1547949448 GELHUERQTIOORE-NRFANRHFSA-N 430.484 2.273 30 10 IEEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1557602810 VKPRQWXIOWWNCR-UHFFFAOYSA-N 448.545 2.008 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](F)C1 1558867809 IWPRFOIUBYLQBE-IRXDYDNUSA-N 428.468 2.403 30 10 IEEE O=C(NC1CN(c2ccncn2)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1565244390 GFWLELJYOAGMBW-AOOOYVTPSA-N 445.314 2.478 30 10 IEEE CC(=O)NCCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H](C)C(=O)OC(C)(C)C 1567460685 CNMOMAXMXQKCII-QGZVFWFLSA-N 433.553 2.041 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1587766724 YAKBGDMXNHUAKF-IBGZPJMESA-N 449.552 2.190 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1587798046 AFVKEQLDCRKJNO-FKBYEOEOSA-N 445.608 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCNC(=O)c1cc[nH]n1 1588250548 GNXZCVDFMBMVRZ-UHFFFAOYSA-N 445.527 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1588923954 RONMRARIZJYQFJ-LJQANCHMSA-N 444.580 2.282 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1589151181 TYUVGYZPJOHJHV-UQASEVPWSA-N 449.552 2.407 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1594569114 ZADWJCMEGCCLRF-UHFFFAOYSA-N 446.581 2.479 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1594635583 WGTWWZQRRGJNCG-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1595838261 ODQMDHNEQFQZCI-UHFFFAOYSA-N 433.557 2.196 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)c2cccnc2)CC1 1597096241 CEZIPCPNTUIBSL-SFHVURJKSA-N 429.521 2.343 30 10 IEEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1606980002 CUDHLJXDYZIVOZ-UHFFFAOYSA-N 449.559 2.134 30 10 IEEE N#CCc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1611128143 HNFFGQPEIKRIAB-GOSISDBHSA-N 442.497 2.378 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)N(C)C)c2ccccc2c1=O 1615897830 DABFHIOYMOPMQQ-NYHFZMIOSA-N 438.511 2.067 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)CC1 1615959289 VNVXCLZSDXQNPL-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE Cn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCCCCCO)c2ccccc2c1=O 1618489385 YIGRJQRDGBVWGP-UHFFFAOYSA-N 435.532 2.485 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1619968948 LNTHGNSGQLJLKG-INIZCTEOSA-N 436.520 2.096 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)C1 1620053256 IDUHQWQULXRTPQ-LJQANCHMSA-N 438.488 2.241 30 10 IEEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCc3ccc(C#N)c(F)c3)c2)CC1 1623035628 HEGKXCOGHCBABE-UHFFFAOYSA-N 445.520 2.345 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)ccc21 1625318166 DLWSPEDOLLAKDH-IBGZPJMESA-N 438.459 2.138 30 10 IEEE COc1cccc2c(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)cnn12 1625969545 DXIKUWXPBYJMJD-PTGBLXJZSA-N 427.486 2.408 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1 1626149818 HMTRIJIQNHBQKI-QHCPKHFHSA-N 429.517 2.217 30 10 IEEE C#CC[C@@H](NC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1)C(=O)OC 1626187994 NWTDOUSGQUWPER-HXUWFJFHSA-N 440.931 2.352 30 10 IEEE C=CC1(CC(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CN(C(=O)OC(C)(C)C)C1 1628924591 SPLBDZDDCOIUJG-UHFFFAOYSA-N 437.562 2.165 30 10 IEEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(COc2ccccc2C#N)o1 1633187482 LFQPCAGQVXCJSW-QHCPKHFHSA-N 425.485 2.076 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 1635455099 CUPJNWGPEHSPES-IRLDBZIGSA-N 427.522 2.448 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(F)F 1635701914 WXYVREUJZITADA-BRWVUGGUSA-N 448.470 2.181 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1637184484 HGWZFEFYXYKZIH-ZHRRBRCNSA-N 440.537 2.138 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cnn3c(-c4cccnc4)ccnc23)C1 1638203006 IFJLXPKEEPGXOU-WBVHZDCISA-N 433.472 2.280 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ncc(C(=O)OC)s3)CC2)cc1 1640737629 GCFZCSMFOVTNJA-UHFFFAOYSA-N 449.554 2.414 30 10 IEEE C=CCOCCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1641200329 HOYMNRNQSCMDBE-UHFFFAOYSA-N 432.952 2.359 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)C1 1644637793 AAFHFIAUCSWINS-FXAWDEMLSA-N 445.361 2.191 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1653275036 ZAMJSVMTHLQAQX-QZTJIDSGSA-N 435.590 2.385 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1663413522 FKQZABIXQVDFFT-GFCCVEGCSA-N 437.345 2.167 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)C(=O)OCC 1663611286 PFAVQFLIRLNBIZ-INIZCTEOSA-N 426.922 2.265 30 10 IEEE C=C(C)CONC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1682401096 FNVDWPASHXUVBX-UHFFFAOYSA-N 446.367 2.058 30 10 IEEE C#CCN(C(=O)NCc1cc(=O)n2ccccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1683711586 KHMXXVQKXFJQHZ-UHFFFAOYSA-N 439.516 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1686341204 FBPNPUXYEMBWBB-KSZLIROESA-N 427.505 2.014 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H](O)C1 1690072833 WAAUEQRFYACZSH-IAGOWNOFSA-N 430.578 2.249 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN(C(C)C)C1 1690106549 ZSDIYXJPXUFXAD-NRFANRHFSA-N 427.597 2.346 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1690177115 KFKXYEUHWNLGDE-UHFFFAOYSA-N 427.574 2.454 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690299346 OLWHOHTWCYQROJ-UHFFFAOYSA-N 440.548 2.490 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690301818 YWJGVEKLTKRORT-VQIMIIECSA-N 447.511 2.101 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690307398 ZJHXCNKAVYFCFU-HXUWFJFHSA-N 426.565 2.481 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690467346 UEGASGMZNYSAHQ-PMACEKPBSA-N 430.597 2.304 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1690528264 YRNORBIQSGMQID-IAGOWNOFSA-N 433.553 2.468 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCC)nc2)C1 1690697274 RUTJEBYGMIGVKE-QZTJIDSGSA-N 426.521 2.243 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)OC(C)(C)C)n1 1693428141 STNQRBVJEASRBU-OAQYLSRUSA-N 446.531 2.497 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1693837880 IXQXELVVHZZKLW-WMZOPIPTSA-N 445.955 2.223 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1695037724 FZALULAXSCTNOR-GHTZIAJQSA-N 431.562 2.381 30 10 IEEE CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1695623186 AHFYKUOKOSHMKX-HXUWFJFHSA-N 437.548 2.024 30 10 IEEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1696873141 AAESQLXTACSYNB-SFHVURJKSA-N 447.547 2.125 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCCC2)CCO1 1696964481 JVLAUXVEXGBMCL-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC(CC#N)CC2)CC1=O 1698074494 DBWOPVOAGJIRDI-SFHVURJKSA-N 426.521 2.472 30 10 IEEE CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1698430100 YFPIZPZEIJTBCF-UHFFFAOYSA-N 439.589 2.465 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3cccnc3)n2CCCCCO)CC1 1698488099 CKNVWGGEJOHORZ-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1705492375 PRCFUHKSZGKNSF-SQNIBIBYSA-N 433.553 2.266 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705493954 QZUBDNCZWANAOI-AEFFLSMTSA-N 431.562 2.276 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C(C)C)N1CCOCC1 1705548562 LQPJOKKWXHKWOP-LJQANCHMSA-N 425.533 2.143 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1705567937 DEKGDJFNGVZDIG-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCCC)CC1 1705640752 DLQCYNLAVOVMJZ-UHFFFAOYSA-N 431.544 2.251 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705689487 NXDQQKSDZKDHNL-GOEBONIOSA-N 431.338 2.230 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705728918 CIGPUODCSFJZGD-INIZCTEOSA-N 444.502 2.180 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1705825464 UMKYBBZWPJLJPI-DLBZAZTESA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@H]1C 1705830480 QQKLBUGPJIYOAM-GOSISDBHSA-N 427.553 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NC(C)C)C1 1705916452 KUCKIBWWFUALIQ-CQSZACIVSA-N 437.342 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705936096 JXAHTSWFRDMARV-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705945054 BRAGLLXFNFLXQX-INIZCTEOSA-N 428.624 2.495 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1710705102 VCNCBBUUESMUEK-QFIPXVFZSA-N 426.521 2.470 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1(C)C 1712089152 IZQKKEVBCAXDRP-HFXUHXBXSA-N 441.532 2.130 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1Cc1ccc(C#N)o1 1712529286 CFLDSXHTCWWIGM-MRXNPFEDSA-N 444.536 2.210 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722329993 OTZDAOYOVIODBS-QFIPXVFZSA-N 425.489 2.407 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722369070 YFYIWWRPXOTRBM-MSOLQXFVSA-N 428.558 2.280 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc2c(c1)OCCO2 1722371613 YMURZURVWBWNGK-UHFFFAOYSA-N 435.528 2.238 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1722441717 PADIKCLTWMNJNB-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1723629014 DILCISBREOTFST-UZUQRXQVSA-N 438.532 2.116 30 10 IEEE CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1728895270 TZWYBFLTTAUNSQ-BJLQDIEVSA-N 427.505 2.178 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)C1=O 1729593206 CYLOWXGWIGXKSL-MBSDFSHPSA-N 438.532 2.070 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1730484142 IZBNXICVYUWKDH-IBGZPJMESA-N 436.495 2.226 30 10 IEEE COCCCOc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c1 1730710732 HFIYPTUGTJGYHS-JOCHJYFZSA-N 448.527 2.456 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@H]2CCCO2)CCO1 1731187335 NNLNJFDYXVIGTM-UXHICEINSA-N 429.496 2.322 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCC[C@H]2C)c1 1740564647 SWVFDFSPIBJWIY-UYAOXDASSA-N 436.560 2.323 30 10 IEEE C#CCCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740578038 AKDSKBUVQNEJQX-XMMPIXPASA-N 445.608 2.423 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1740630590 CJRGIQGHODHVNH-VWLOTQADSA-N 449.555 2.190 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1740833018 KEPMGDOHEYAYKG-BZSNNMDCSA-N 438.642 2.411 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740882317 HPCBFACNAOFNDG-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCOCC1 1740918649 NZXONMPBEOWNDR-UHFFFAOYSA-N 435.532 2.153 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740963931 BFAFHXZGWKWZMK-GOSISDBHSA-N 441.532 2.166 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)C1 1740982857 XQPROKUODHUHAF-SJORKVTESA-N 437.541 2.014 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1741806070 KPTXATGKCJGFGH-GQTOQBHESA-N 448.568 2.327 30 10 IEEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1744241664 HFOWQEZBJOODKU-HSZRJFAPSA-N 438.532 2.214 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748392289 DYRUJZPGVACHOE-HNNXBMFYSA-N 445.483 2.299 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)[C@H](C)CCC)CC1 1748979884 RFGQSNGVSILAJP-LJQANCHMSA-N 438.576 2.261 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCN(CC)CC2)CC1 1748984653 XHTXKRURUHCKJC-UHFFFAOYSA-N 449.647 2.426 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(CC)CC)CC1 1748986694 HBLIEMQUVHNHSR-UHFFFAOYSA-N 448.575 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C)cs2)CC1 1749008605 FDDUTVXBNIRXCT-UHFFFAOYSA-N 435.557 2.428 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)C 1749037949 KYJKCDWAEWFVAY-SFHVURJKSA-N 429.546 2.118 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1749448235 WEGAWSBQCFJIQR-KRWDZBQOSA-N 449.577 2.013 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1749668649 CBZDAZMPDLLYAI-UHFFFAOYSA-N 434.548 2.448 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCSC1 1749965073 AIUBWRBYYZKFLZ-LSDHHAIUSA-N 444.561 2.290 30 10 IEEE Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1751874185 RDYGLPNRZMKPDO-VCFLCSNQSA-N 442.545 2.048 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760144080 CFXJGUQSSLEPHO-UHFFFAOYSA-N 439.520 2.396 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760182692 LFYBFLGTFZGYPZ-DLBZAZTESA-N 433.578 2.098 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760195465 CKBRZEAPJUSGNG-QHCPKHFHSA-N 445.564 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760247734 MZMWXKLCVTZEBO-QGZVFWFLSA-N 443.552 2.324 30 10 IEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NC(C)(C)C)CC1 1760261101 KRKRUDSUYNLWKT-UHFFFAOYSA-N 447.587 2.341 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1760327865 NCWZIZZQGDXFLA-ZWKOTPCHSA-N 439.626 2.322 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760358891 BEIFWQCCXLVMST-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760502986 UHKLXCNBYUATEU-QZTJIDSGSA-N 431.585 2.205 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)C1 1760537846 QUUNRUMLYJKMSM-SIKLNZKXSA-N 430.553 2.190 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)OC)C1 1760567586 GQHHEMFFSHYINL-INIZCTEOSA-N 426.546 2.435 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)O1 1762435975 RERDZBWBUCRDKE-WIYYLYMNSA-N 429.546 2.399 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C 1766395816 CFKMXMCCZKBAAL-SIKLNZKXSA-N 439.564 2.469 30 10 IEEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1766677543 BRBUTLHIUGOADK-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1767511407 DIBZCVCZPFTANT-HKUYNNGSSA-N 429.521 2.486 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCCC3)n2Cc2ccc(C#N)o2)c1 1768522949 APVQUEXOSRPOQH-UHFFFAOYSA-N 426.502 2.309 30 10 IEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)CC1 1769157632 FQXAWAKOLFDNTN-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)C[C@H]1O 1769449762 SPGCWNFYDHZSMZ-JBYIUTFZSA-N 441.557 2.463 30 10 IEEE COCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1770153997 YERGDTWQVBGQPN-RTBURBONSA-N 429.521 2.427 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1771507620 KZDSAWZEXZQGLA-HJPURHCSSA-N 438.532 2.211 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC[C@@H]2COCCO2)cc1 1771532236 SYGROQMAAZQHLX-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCOC(F)F)cc1 1771534898 SSRWEWSLYVVBLV-OAQYLSRUSA-N 446.458 2.074 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1849201761 PLFHCABFRGIIAG-OAQYLSRUSA-N 442.516 2.199 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1851183317 AJMGAUCDBDLXEU-UHFFFAOYSA-N 442.541 2.114 30 10 IEEE Cc1cccc(C)c1N1C[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC1=O 1852018102 YPKMKAALBGZFRS-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C2(CCCC2)C1=O 1856329559 BQKRMQTURMLPDJ-UHFFFAOYSA-N 445.419 2.171 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4ccc(Cl)cc4C3)CCC2=O)CC1=O 1856538750 OXADNGXZTPPRKV-LPHOPBHVSA-N 429.948 2.498 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCO)cc1O 1862609175 GSFQOINGRALSGL-HXUWFJFHSA-N 441.436 2.133 30 10 IEEE C=CCN1C(=O)C(NC[C@@H]2COc3ccccc3O2)=C(c2cc(OC)ccc2OC)C1=O 1863717656 VNJOTHGRXLZUKT-MRXNPFEDSA-N 436.464 2.399 30 10 IEEE C#C[C@H](C)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883391445 VACYDAQYBJXTEJ-VBKZILBWSA-N 427.478 2.415 30 10 IEEE Cc1nc(C(F)(F)F)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)s1 1889272943 NFKNANLJOFHZHE-UHFFFAOYSA-N 444.523 2.342 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](O)c1nn(C)cc1I 1983836452 KACDMWXJHMFQIZ-WBVHZDCISA-N 427.286 2.419 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)(C)S 1990680421 MUYAIUVBPKVRJE-HZPDHXFCSA-N 439.578 2.290 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CS)C(=O)O 2229105094 SYKBGAOBLZZFPS-OLZOCXBDSA-N 447.351 2.384 30 10 IEEE Cc1nc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247907677 GSVHMMKDUIWMCE-UHFFFAOYSA-N 437.371 2.347 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H]1O 2254803930 VKAGZJVOGYVVFC-DJIMGWMZSA-N 433.358 2.457 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630625 MUPNSMMVPHPLIO-UONOGXRCSA-N 434.346 2.084 30 10 IEEE C[C@@H](CCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255642173 BMXKBGZPWCKSID-AWEZNQCLSA-N 434.346 2.199 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2255695573 HGLWMXCZOINYJL-JLCFBVMHSA-N 431.342 2.064 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C 2255833544 FCZRZZIDGCJFCQ-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256055818 DBWXEHMOQSLNAE-CQSZACIVSA-N 434.346 2.103 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC2(CC2)C1 2267141944 NHDPHLMONICBDN-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267163180 VAICHUXZRUJRMQ-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2267182691 IEYFVBCZNWPRPR-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)CC1 2267414655 QWROAVUZKKLYKL-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C1COC1 2268651184 VAINOENKKOQABC-SFHVURJKSA-N 446.353 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)c2C1 2271460151 QVUPTGIXMNVEHO-UHFFFAOYSA-N 444.341 2.389 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCOC1 2272567894 AACXQOROOZXYNC-INIZCTEOSA-N 447.341 2.345 30 10 IEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(O)cc1O 2327450029 BAKTWSKDHNJFHK-UHFFFAOYSA-N 435.412 2.006 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2337200292 GJGWZVUDNOFYMH-GASCZTMLSA-N 448.373 2.189 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2337298673 JLCKTPVZVOQRJW-UONOGXRCSA-N 448.373 2.141 30 10 IEEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2352395677 FCYODJKFJJKQLN-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE COC(=O)C[C@H]1CSC(=NCc2c(Br)c(Br)nn2C)N1 2364424843 TUBZMAMFVHBDSF-LURJTMIESA-N 426.134 2.069 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 29012826 CXLIIWSAWAENKH-CQSZACIVSA-N 435.452 2.137 30 10 IEEE CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c(C)c1 238857670 KDAMEYRUBWIQJW-MRXNPFEDSA-N 429.502 2.237 30 10 IEEE COCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1cccc(OC)c1 254788318 NQRFXXMROKNCOC-UHFFFAOYSA-N 426.498 2.459 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 426527242 AOIIIZNMCBSSOA-IBGZPJMESA-N 446.573 2.456 30 10 IEEE C=CCNc1ncc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)s1 432917425 PGZLXTHAMZEWMY-UHFFFAOYSA-N 432.546 2.725 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460376359 SVJWWXVTYGLBAX-GCJKJVERSA-N 430.574 2.287 30 10 IEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460378128 BCGRFJXACQTXJS-UHFFFAOYSA-N 449.577 2.207 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(C(=O)c2ccc(F)cc2)CC1 460563916 KWIUHIKCZJIIPJ-LJQANCHMSA-N 429.496 2.434 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)c(OC)c1 480400363 GXXXIORFFIIBCK-WAIKUNEKSA-N 432.517 2.432 30 10 IEEE CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 501895648 BGPDCIGGKNUNTM-UHFFFAOYSA-N 433.493 2.339 30 10 IEEE CCOc1cc(Br)c(CC(=O)N2CCN(C(=O)CC#N)CC2)cc1OCC 503627735 VOYYVNRYWZZQBZ-UHFFFAOYSA-N 438.322 2.373 30 10 IEEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 508881216 OWGLSIYRCMGILQ-GOSISDBHSA-N 443.548 2.316 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 508916955 AOCPDAKTKCWMDQ-QFBILLFUSA-N 444.967 2.204 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 510909080 UNUTZBGQTDCVNQ-UHFFFAOYSA-N 441.923 2.071 30 10 IEEE CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 539290159 QVJHMRUCRPUIHA-UHFFFAOYSA-N 435.484 2.196 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCNS(=O)(=O)c2cccnc2)n1 543002243 UEHYFJBNNBJSFR-UHFFFAOYSA-N 430.877 2.099 30 10 IEEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 549233806 AOABJGHTOASWBY-ZDUSSCGKSA-N 427.935 2.247 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 549724676 YXGLONFEPULXML-ZWKOTPCHSA-N 425.537 2.049 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 555285399 FQEYZYDFMTZQCU-ZWKOTPCHSA-N 444.605 2.393 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)ccc21 569037831 MABBEGSKFSDYOW-UHFFFAOYSA-N 445.523 2.140 30 10 IEEE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCN(C(=O)CC#N)CC4)cc3C2=O)c1 581692816 RWZWNECZMPOINM-UHFFFAOYSA-N 430.464 2.302 30 10 IEEE COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 586332926 IXUKFYODUPVUIU-PMERELPUSA-N 447.538 2.452 30 10 IEEE C[C@@H]1CN(Cc2csc(NC(=O)N3CCN(c4ncccc4C#N)CC3)n2)C[C@@H](C)O1 603649159 LUKZDMGYTWDMQR-HZPDHXFCSA-N 441.561 2.373 30 10 IEEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1=O 619666761 DLUQMWMWMYGFHF-APPDUMDISA-N 425.367 2.299 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)cc1 619735028 ZICZVOIVLUIYDP-UHFFFAOYSA-N 428.514 2.100 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 685550035 SWTHKNMZPWKBTM-UHFFFAOYSA-N 444.605 2.277 30 10 IEEE COc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c([N+](=O)[O-])cc1OCc1cscn1 732650380 PONNBDVXRDWSOB-HNNXBMFYSA-N 443.485 2.451 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCN1C1CC1 732708854 WEESFZKTAFZLHA-CYBMUJFWSA-N 430.814 2.418 30 10 IEEE CNC(=O)c1cccc(COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 733813105 DJLROUAHPYEWKY-GOSISDBHSA-N 443.525 2.243 30 10 IEEE CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 757719877 FPCQBBFPNBFKTF-UKRRQHHQSA-N 434.497 2.062 30 10 IEEE COC[C@](C)(CCO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 758228477 ZYYGGEIXHOKUGS-KNOQIOAQSA-N 440.566 2.189 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CCC2=O)cc1C 760541837 JFHYBEDGFKZQJP-OALUTQOASA-N 432.528 2.445 30 10 IEEE CC(C)(C)OC(=O)CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 762624055 NRBBMKZKZOFCFZ-UHFFFAOYSA-N 443.525 2.490 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@](C)(C#N)C(C)(C)C)c(NS(=O)(=O)C(F)F)c1 766503872 AFFKGCIYDHCYFO-HNNXBMFYSA-N 425.479 2.266 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCC(C)(C)C2)cn1 768417139 LGGSEHDMJQKRFB-DLBZAZTESA-N 434.610 2.481 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](OC)C[C@@H]3CC(=O)OCC)ccc2c1=O 775975747 QYGQJINVAMRQAU-HUUCEWRRSA-N 431.514 2.054 30 10 IEEE CCC(=O)NCc1cc(S(=O)(=O)NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OC 777334151 KRCZDSIDMXRUBZ-UHFFFAOYSA-N 441.509 2.395 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780858468 IZPVIPIWGUNQJK-DHLKQENFSA-N 448.523 2.481 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 783555849 ABJNENYSCCCAJH-UHFFFAOYSA-N 445.520 2.098 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@H]3CCCO[C@@H]3C2(C)C)CC1 783592716 MFLFTMGEIYEOEY-LLJLJFOGSA-N 447.576 2.073 30 10 IEEE C=CC[C@]1(C(=O)NS(=O)(=O)c2c(C)nn(C)c2C)CCCN1C(=O)OC(C)(C)C 791763133 OOWMWPUYHHTUNB-LJQANCHMSA-N 426.539 2.188 30 10 IEEE COc1ccc(COC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1C#N 797515232 OPZWBRZOTHGRKX-OAQYLSRUSA-N 430.482 2.065 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C(=O)OC)c3cccc(O)c3)ccc2c1=O 797747926 DONMITSFHIQFGS-QGZVFWFLSA-N 425.466 2.221 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1)C1CC1 814704987 STDPNEFIWBRXQN-RTBURBONSA-N 432.590 2.419 30 10 IEEE C=CC[C@]1(C(=O)NCC(=O)NCCN2CCCCCC2)CCCN1C(=O)OC(C)(C)C 817156851 ATJASUJKDCKWNS-HSZRJFAPSA-N 436.597 2.441 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 916983707 IRJFGWRWLAIBAS-UHFFFAOYSA-N 439.497 2.200 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1cnc2sccc2c1=O 923408127 CNCXRUXDORTROH-CQSZACIVSA-N 440.481 2.345 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)CC1 1136632882 RALVZWMUGFEZQT-UHFFFAOYSA-N 432.496 2.070 30 10 IEEE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cn1 1137576829 ZWDWCHBFRXPKKI-OAQYLSRUSA-N 435.484 2.440 30 10 IEEE C=CCC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C(=O)OCC 1140929216 DCGUYEVEGAIQNG-CYBMUJFWSA-N 432.589 2.113 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3Cc4cccc(C#N)c4C3)CS(=O)(=O)[C@H]2C1 1164209441 LJUURLASKUPPFZ-UHOSZYNNSA-N 445.541 2.071 30 10 IEEE COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1F 1208235634 CINNVFJCBISCLO-UHFFFAOYSA-N 439.415 2.273 30 10 IEEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)ncc1C(N)=O 1264677266 XEHQBPYXIFLPKB-NCELDCMTSA-N 443.529 2.334 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1286390470 AHKHSVATTIDCTM-CVEARBPZSA-N 426.608 2.288 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1286447559 LPWKSLARZCTEFK-NRFANRHFSA-N 441.601 2.284 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1286484118 DZYOSHYHUMZGHV-NHCUHLMSSA-N 425.581 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286491199 IQRAGWXHZSOAOY-MRXNPFEDSA-N 432.569 2.062 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](COCCOC)C1 1286560645 HIRZKXAYVLXOOY-NSHGMRRFSA-N 428.537 2.206 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286784672 POJLJDIKMMTVKH-OAHLLOKOSA-N 447.465 2.192 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286788887 JNQVBCVKSHZCBA-XLNZFTOWSA-N 439.560 2.252 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CO)CC2)cc1 1286793938 QGGWSEGRJUSWGS-UHFFFAOYSA-N 425.533 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOC[C@H](C2CCC2)C1 1286818796 OMEIPUJYGVNRDU-LJQANCHMSA-N 431.562 2.194 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)N2CCOCC2)CCOC1 1286962014 ZBHXNLCBRQKYFL-AVRDEDQJSA-N 434.585 2.025 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1Cl 1290434666 NIRIJSPLLKIMAY-QGZVFWFLSA-N 434.887 2.180 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1292110243 GYRALQROPOOADH-UHFFFAOYSA-N 441.536 2.014 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCCN(c3ccccc3C#N)CC2)CC(O)C1 1292792745 QGPCQLACFYZFNU-UHFFFAOYSA-N 428.533 2.263 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1 1297954015 CFRSBMHSNNRNFU-HXUWFJFHSA-N 438.580 2.346 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCC1 1298801828 QSSAFYUIJAOHDQ-MRXNPFEDSA-N 448.369 2.261 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1300489572 PHYOPVMABIMAIL-IBGZPJMESA-N 441.582 2.363 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOC2=O)CC1 1300693064 QXDURNPCZWQUJS-UHFFFAOYSA-N 428.924 2.196 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1300852777 CTXVQCYLGXHGLD-LJQANCHMSA-N 444.337 2.127 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1300925949 MSSMAFZBUPWQLW-UHFFFAOYSA-N 443.552 2.468 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1300992370 XUDPBXLJACXHIY-FQEVSTJZSA-N 442.539 2.283 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 1301554841 OGTFGPMOJZFIBD-HSALFYBXSA-N 442.539 2.453 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1301612980 SLNGWETZLLKJMU-PMACEKPBSA-N 434.654 2.308 30 10 IEEE CC(C)(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1302094923 HKZIWZJFLHJXGQ-UHFFFAOYSA-N 439.564 2.223 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1303637517 WYCNWGLVPHUHME-QZTJIDSGSA-N 435.532 2.192 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1306527319 AJQDXZPYCIYEHI-HSZRJFAPSA-N 440.548 2.099 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1)C1CCOCC1 1309701903 MVSWVUSIKNCUFU-QGZVFWFLSA-N 429.498 2.049 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@@H](CCc3ccccc3)c3ccccn3)C2)c(=O)nc1O 1313156117 NKOBFYCXYPLIFW-FQEVSTJZSA-N 430.468 2.156 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1313921037 OCYQLXIRKGPJHI-DXIQSLLYSA-N 437.592 2.050 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(C)CN(C)C1=O 1314214806 ANSABWTWVVLQST-AOMKIAJQSA-N 426.521 2.472 30 10 IEEE COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(C#N)C1 1316042336 JVAYSBSWECEPIZ-HXUWFJFHSA-N 431.566 2.405 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CC1 1316126272 CYLMKSZOOZVEME-UHFFFAOYSA-N 433.516 2.037 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)CC2=O)cc1 1318383941 ZBUSSUXFMBVQQK-HNNXBMFYSA-N 442.472 2.229 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1358885820 RHZRKACIKOXWFS-INIZCTEOSA-N 443.511 2.492 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC[S@@](=O)CC)c1 1358901563 ORCDTEGVODWVEP-HKBQPEDESA-N 436.541 2.165 30 10 IEEE C#CCCCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1358917355 OPNSKIFBFRQPJQ-OAQYLSRUSA-N 438.594 2.137 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(CC(F)(F)F)CC1 1358955573 OMDNFHNUAVDBDZ-IRXDYDNUSA-N 429.487 2.346 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358959306 GHOBAWCNHQLWPM-IRXDYDNUSA-N 447.948 2.313 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1Cc1ccccc1 1358992835 YCAZHCPIFJDJTE-FCHUYYIVSA-N 430.556 2.357 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1359009283 LYSZUJSETBCHDK-OALUTQOASA-N 445.589 2.460 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1359010302 LRCFFKBTUUGZRJ-HTAPYJJXSA-N 433.553 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCOCC2)CC1 1359042713 QWMVWRFIKRDQKF-UHFFFAOYSA-N 437.544 2.346 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1359070951 YRIBMLFHCSXWTF-WIYYLYMNSA-N 433.578 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1359097394 OIGLQXRADNMNNG-SXLOBPIMSA-N 430.553 2.290 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1359270253 IDQUOULSLLPDSC-SSEXGKCCSA-N 448.618 2.328 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1 1359280725 BYOUXGDEWQMVGB-UHFFFAOYSA-N 426.477 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCCO[C@H](C)C1 1359335234 FHKDYGKMRNTJPP-MRXNPFEDSA-N 438.525 2.212 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1359461882 MAVKQSYZFSXPPI-UHFFFAOYSA-N 425.518 2.348 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1440734930 CCWISFGLBHFJPM-UHFFFAOYSA-N 441.576 2.145 30 10 IEEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)O1 1460822008 PZXBKQXPVNKYQR-ZCNNSNEGSA-N 440.462 2.068 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)CCO2 1462753639 UEINPMSWCGRJPE-SHYRYGCCSA-N 437.290 2.317 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 1463167617 FQZPAJYDWTZESV-CQSZACIVSA-N 449.286 2.383 30 10 IEEE Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N(CCC#N)CCN1CCOCC1 1464559758 ZDQJSPFVSSNRPE-UHFFFAOYSA-N 437.566 2.164 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1470088153 JEBBUDXBJOAJSV-BGYRXZFFSA-N 444.491 2.311 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NN3Cc4ccc(Br)cc4C3=O)CC2=O)cc1 1470237284 RIYBURXOBUKWTQ-CQSZACIVSA-N 439.269 2.361 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCN(CCC#N)CC1)C2 1471237002 BIEGQKUEIRHLIJ-SFHVURJKSA-N 444.532 2.428 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)OC 1494974106 FQWQXQCKNRYMOW-PXNSSMCTSA-N 440.548 2.173 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCO[C@@H](C)C2)CC1 1502310548 BLHXUEFNVZFCGI-UXHICEINSA-N 437.592 2.458 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1503135748 AFTRFFOTSBPLGI-GOSISDBHSA-N 446.577 2.009 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1503246020 QNFKCSOYBDQCJB-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE COc1ccc(COCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504287019 VTCHJUAPHWSRLC-VQTJNVASSA-N 427.505 2.474 30 10 IEEE COC[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C#N 1504558793 CTCTUXAQDLXKLN-HUUCEWRRSA-N 433.582 2.425 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1507572913 AMAAKNNMRNBBGL-GOSISDBHSA-N 442.539 2.229 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507580888 NGVILZBJEUKABR-UHFFFAOYSA-N 431.562 2.275 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634841 QBWVNAHRQPXZPF-OFNKIYASSA-N 444.601 2.211 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1507648213 XECURPGZBLDCKI-UHFFFAOYSA-N 440.551 2.418 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[C@H]2CCCCO2)CC1 1507718992 JEYAOMFUGWJRRA-ZJSXRUAMSA-N 445.608 2.423 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccs2)CC1 1507743822 KOIUPGCUIRTLRF-UHFFFAOYSA-N 432.619 2.166 30 10 IEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CC#C 1507750798 FKCCZUFGLZVJKO-SFHVURJKSA-N 443.573 2.026 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507802597 AXYFBKUUVWURIK-UZLBHIALSA-N 427.509 2.452 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 1507806013 LWYMRUMZOXKNSQ-RXVVDRJESA-N 447.580 2.217 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1CCS(=O)(=O)CC1 1508038506 SOLFURHIAKEQEJ-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508076990 XECSPESDXBCKKC-QGZVFWFLSA-N 426.569 2.334 30 10 IEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)c(N2CCOCC2)c1 1510861589 HINZLMASSIYJMU-GOSISDBHSA-N 439.564 2.206 30 10 IEEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512352707 DBCVGCUFBZKWLX-UEXGIBASSA-N 449.559 2.433 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1513414048 XHQZYOSEQUBESK-MRXNPFEDSA-N 429.525 2.259 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCOCC2)C1=O 1517408248 JIRFXKSMJTZNJS-HSZRJFAPSA-N 438.532 2.070 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1517762060 ASGCUOSGFGVPCW-MRXNPFEDSA-N 448.487 2.481 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1519511137 HIFIYGSRUUEPQZ-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE CS[C@H]1CCCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1520153656 NRHBVDHWBRWBRU-QBNCKDSPSA-N 430.578 2.479 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 1524147815 PXFSSCSKZXHSEX-UHFFFAOYSA-N 442.520 2.353 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)CC1 1525838634 XEFODILZHSSZDD-MUGJNUQGSA-N 437.496 2.409 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 1530830670 MLYAGJZLCXHHGX-UHFFFAOYSA-N 428.470 2.427 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1534101706 WAFVENUMLKNJAH-WMLDXEAASA-N 449.898 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1539333650 JDCWKXZOENIPJV-UHFFFAOYSA-N 440.507 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCNC(=O)OC(C)(C)C 1539420710 KKHOQYHQWYCKNU-UHFFFAOYSA-N 434.566 2.245 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539577113 HAZIJPQEGNBGDP-CQSZACIVSA-N 436.358 2.127 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539793749 WVCYLEVKDBFTLA-HNAYVOBHSA-N 429.956 2.081 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1NC(=O)CC1(C)C 1540194566 SPNBMWINHDARIO-SFHVURJKSA-N 427.505 2.227 30 10 IEEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 1540662146 AAYIFYNYVGVBDG-UHFFFAOYSA-N 439.520 2.027 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540865727 QBOODGRJDVXLKB-NEPJUHHUSA-N 440.367 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1540867626 BPFRFWRRIKVLGO-FQEVSTJZSA-N 448.527 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H]1c1nncn1C 1540899919 FFGHMSQQBRFOPI-GOSISDBHSA-N 441.561 2.324 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1541697091 VJPXLHVOFQQDHN-UHFFFAOYSA-N 426.452 2.470 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCCc2nc(O)c(C(N)=O)cc21 1543369729 XEPBXLNVNQWCQS-HNNXBMFYSA-N 429.274 2.257 30 10 IEEE C#CCN(CC(=O)N1CCC(CC(=O)N2CCC(N(C)C)CC2)CC1)C(=O)OC(C)(C)C 1544375291 IIDBJVUYZIZBIP-UHFFFAOYSA-N 448.608 2.038 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOCC1CCOCC1 1546532426 LCYXJCWRHQAYDN-UHFFFAOYSA-N 439.564 2.267 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)CC)cc2N)C1=O 1556439859 YMWQGJBZLLFKHW-FQEVSTJZSA-N 438.550 2.378 30 10 IEEE C=CC1(CC(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1556541343 TVJNFCFUQOANRZ-JKSUJKDBSA-N 429.583 2.024 30 10 IEEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1559947564 WMXXWJTVWBTYLJ-IBGZPJMESA-N 425.554 2.018 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN[C@@H](CO)c1ccccc1I 1560211770 SHAOOYJIUGJLCR-YOEHRIQHSA-N 438.265 2.226 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1570093051 CRCRTINLPNJZSR-SBUREZEXSA-N 440.500 2.344 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182533 NDGRAMPHJOIQJR-LPHOPBHVSA-N 449.573 2.277 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3C#N)CC2=O)cn1 1584775722 DBOSYMXCJLYVEI-LBPRGKRZSA-N 437.378 2.291 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1585976589 KNXPNKQSKNASQE-HNNXBMFYSA-N 435.488 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)c1cc[nH]n1 1587579056 CLVFEEPRFCHYCI-ZDUSSCGKSA-N 429.431 2.158 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCC1 1587990241 UJWZKLHYLAPZKT-KRWDZBQOSA-N 433.553 2.473 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1588016926 YKTYQLGWMXCHPI-IBGZPJMESA-N 425.533 2.038 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1588117219 CEQGQUXSCIGLSQ-UHFFFAOYSA-N 440.551 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(=O)NCC)CCC1 1588205401 KNYNJRSDVCRICE-UHFFFAOYSA-N 433.512 2.443 30 10 IEEE COC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(OC)cc1 1588211533 DRHIBEPWWQPOAF-SFHVURJKSA-N 434.445 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1 1588228104 ATDDDPBXFYBPNY-SFTDATJTSA-N 445.633 2.011 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(CO)c1 1588672978 JMNNXNAHXZYPDK-UHFFFAOYSA-N 430.512 2.143 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1589110262 RZUGAWJSCZMNLH-KRWDZBQOSA-N 441.557 2.043 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1595296456 FXUVBIAQPMNBDJ-KRWDZBQOSA-N 428.493 2.095 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1595393336 SLVIPCVJHFWOTM-MRXNPFEDSA-N 427.505 2.480 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)cc1 1596419210 HAEWETYTGMUBFQ-UHFFFAOYSA-N 426.498 2.224 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1)c1cc[nH]n1 1596428989 PQTZKGYKAKTBQS-CYBMUJFWSA-N 431.518 2.045 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)c1 1596870642 KUTZXKUGDJPOID-IBGZPJMESA-N 427.501 2.139 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1597124972 WQGYZCHOOIYUHA-KRWDZBQOSA-N 436.564 2.084 30 10 IEEE CC(C)N1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1608090131 VXRLUVUXXFQPNT-VHEBQXMUSA-N 429.569 2.023 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1C[C@H]1C 1611716715 CALDPWUUQSHBOW-QDSNELGPSA-N 428.562 2.288 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCOCCOC 1614024187 XJQMARUACSXZNG-UHFFFAOYSA-N 435.532 2.250 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(C#N)o1 1618347211 IICQZKOADSGEAT-UHFFFAOYSA-N 436.497 2.487 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCNc2nccc(C(F)(F)F)n2)C1 1620347985 IIUGLPQRKKDVPB-SJKOYZFVSA-N 440.405 2.492 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)c1 1622349552 FJDFSTZLXNPHGT-UHFFFAOYSA-N 445.975 2.188 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1624067318 NZPRZCDLBUJBNP-ZWKOTPCHSA-N 447.557 2.149 30 10 IEEE CC(C)(c1nnc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)o1)S(C)(=O)=O 1625203459 LXQBUAVLZIWTJJ-LLVKDONJSA-N 427.280 2.106 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1S(=O)(=O)NCC#N 1627639907 SEWWYSPXAKGROI-LEWJYISDSA-N 441.553 2.395 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(OCC2CCOCC2)cc1)c1cc[nH]n1 1628275124 PHOIXMJWXPUIEK-UHFFFAOYSA-N 430.461 2.138 30 10 IEEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1OC 1632521534 HXXCREBLGDNTJJ-XMMPIXPASA-N 437.496 2.303 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1c(O)cc(Br)cc1Cl)c1cc[nH]n1 1634958811 WXMBHDYSWULNAM-UHFFFAOYSA-N 445.657 2.454 30 10 IEEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCC(C)CC1 1638761198 KIGOZDDHZXGDPF-GOSISDBHSA-N 435.590 2.067 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1640675006 JZHOKHKQDBUQJC-QZTJIDSGSA-N 433.553 2.391 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NOc2cccc(C#N)c2)cc1 1643518153 VTZYKJGEIIKVPQ-FQEVSTJZSA-N 427.482 2.414 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(-c2ccccn2)cs1 1643892195 DRJWPHYATDWAJM-UHFFFAOYSA-N 441.538 2.340 30 10 IEEE Cc1cc(NC(=O)COc2c(Cl)cc(F)cc2C#N)n([C@@H]2CCS(=O)(=O)C2)n1 1644070885 RJXZUQPWSIUNRB-CYBMUJFWSA-N 426.857 2.233 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](c2ncccn2)C1 1646563227 WKEIEFMCZRVGLZ-MRXNPFEDSA-N 427.530 2.092 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)n[nH]2)c1C 1652737314 WIANZUPYVZFNHY-QFIPXVFZSA-N 444.536 2.178 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)CC1 1657715108 AMAKWMKPRCMVJY-UHFFFAOYSA-N 436.578 2.335 30 10 IEEE Cc1cc2cc(S(=O)(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2[nH]c1=O 1662734222 ANRRWTPVOVVBAQ-FQEVSTJZSA-N 436.493 2.182 30 10 IEEE C=CCN(Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1663845704 ZJPLMVLCTDLAGR-CJNGLKHVSA-N 445.379 2.138 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 1664903997 PHPFLXUDBUDKSF-UHFFFAOYSA-N 446.319 2.201 30 10 IEEE C#C[C@H](CO)NC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1667124375 SCQIHOJHKGPYTP-CYBMUJFWSA-N 435.889 2.111 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 1671185571 XVTCJDMBLKBANV-WDYCEAGBSA-N 433.505 2.097 30 10 IEEE CC(=O)Nc1cccc2c1CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1671494684 CXTWQNKOSHIPMG-LPHOPBHVSA-N 427.505 2.472 30 10 IEEE Cc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 1685105252 XLZDFLXANLQKBG-UHFFFAOYSA-N 431.518 2.078 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CCCO 1689833993 UVZKDBQOHNILKZ-GDBMZVCRSA-N 435.370 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1690011633 XGZFOWNKLGNKEC-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1690122163 IQTHQCHBXRLVDM-UHFFFAOYSA-N 427.862 2.365 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(CC)C1 1690236122 INGBUYVZLRBGFU-WWNBULGVSA-N 425.599 2.496 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C)C(C)(C)C2)CC1 1690417466 SOEMIJUBSALTEJ-SFTDATJTSA-N 446.640 2.431 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690565519 LQOOSAZGOBIEBL-WOJBJXKFSA-N 445.589 2.256 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCNS(C)(=O)=O 1690578510 ZUVFUSMDUQQUNT-INIZCTEOSA-N 425.580 2.323 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C 1690676864 GUJVBAHMIAUEMQ-UHFFFAOYSA-N 430.578 2.338 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1COCCO1 1691098827 ANFIVROQLVJIPO-MRXNPFEDSA-N 428.512 2.328 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C(C)(C)C 1692163148 XGLFYAZTZNDQIQ-UHFFFAOYSA-N 425.537 2.174 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCn2ccnc21 1694327053 LMZRCWYLLLSHEL-QVKFZJNVSA-N 428.516 2.413 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1Cl 1698172637 XIVCAWHOPVXYPY-CVEARBPZSA-N 435.912 2.463 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C1CC1 1705481513 IALPZZMZNUBTMB-HNAYVOBHSA-N 431.562 2.078 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2cccs2)CC1 1705532041 DXZDGBXVRAOBER-GOSISDBHSA-N 447.630 2.020 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705536738 VPTZRMWKMNAKCT-SFHVURJKSA-N 448.618 2.052 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705559783 BJKAXPHQBLYSOF-XLIONFOSSA-N 436.965 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705567360 XDLFRVMTDVNOQS-QGZVFWFLSA-N 431.562 2.249 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1705588818 KPGDTLCWAXUJNK-MRXNPFEDSA-N 449.964 2.084 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1705609955 XKJMWQADCQQXSO-QGZVFWFLSA-N 430.530 2.143 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1705665107 JXVUNXKNJBEAHK-XMSQKQJNSA-N 449.621 2.038 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C 1705668761 SRYSDIBWUWVJRT-YZVOILCLSA-N 425.624 2.412 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C(C)=O)CC1 1705863540 WTDPVSXAIFSPJN-JOCHJYFZSA-N 438.576 2.486 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1705912910 YHJWLAXMUZBPDZ-SJLPKXTDSA-N 449.577 2.117 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(S(C)(=O)=O)CC2)C1 1705917630 WXKFGLAUCYIGMU-SFHVURJKSA-N 432.546 2.312 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCS1 1708234715 SNCJNXVWQDRFNA-LPHOPBHVSA-N 429.546 2.476 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](F)COC)c2ccccc2c1=O 1710301724 MKTVXMLEOCFAKJ-GJZGRUSLSA-N 427.484 2.398 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCO[C@H]1CCOC1 1710748799 CXOMKASCUCQHBK-SFTDATJTSA-N 441.532 2.460 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1712877595 PSOADOGQZASZBM-QLVMHMETSA-N 430.459 2.055 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1722360225 FKCRLZOQSBJJEJ-LJQANCHMSA-N 437.525 2.024 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1722360418 HEVVAZKDHAXJKC-RBUKOAKNSA-N 444.605 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCn1cnnn1 1722375014 GASUAZYAXRCEFJ-UHFFFAOYSA-N 439.321 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccs1 1722393650 GQZXMFXESYBFFV-UHFFFAOYSA-N 443.536 2.354 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC1CCS(=O)(=O)CC1 1722421710 KUSBVHSKZSPIIK-UHFFFAOYSA-N 434.537 2.418 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@@](=O)C(C)(C)C 1722426291 FZZDJCUXZIFOQO-QPHCHLROSA-N 446.573 2.424 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS1 1722428090 BXLBMDHNZPFLGX-IBGZPJMESA-N 441.605 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1722467621 UMDBULLREIRFOX-GCKMJXCFSA-N 449.552 2.487 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722620036 HZAXXZZPOAOHIJ-ROUUACIJSA-N 425.537 2.191 30 10 IEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722683717 XBOKWBCXDLIKPW-IBGZPJMESA-N 426.565 2.365 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1723777440 FFPGYKFMKLXJOG-IRXDYDNUSA-N 436.557 2.487 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCCO1 1726636987 DRLDXAUDKQSNRY-PXNSSMCTSA-N 438.532 2.069 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@@H]1C[C@H]1CF 1727223978 FPPWPRBZBNZDKU-FUHWJXTLSA-N 440.527 2.320 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](OC)C(C)(C)C 1729066437 DMGVKDIJERSEKA-GOSISDBHSA-N 427.553 2.469 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1740550075 HPCVJHLSQVUCDC-NLWGTHIKSA-N 445.589 2.263 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCN(CC)CC1 1740654104 CZDINYSFLKEEBV-QFIPXVFZSA-N 433.604 2.000 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740687463 FSFZNPGTCKWUPU-TZIWHRDSSA-N 443.548 2.191 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(F)(F)F)CC1 1740706734 AYYNHGXDNQWWDI-UHFFFAOYSA-N 435.450 2.406 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1740734054 PMRVQFOHOJNKCX-OAQYLSRUSA-N 438.561 2.023 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 1740752763 AJBYRMNCBOVTOK-VQIMIIECSA-N 426.477 2.161 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740786534 HFCUDOSNVDPBGJ-GOSISDBHSA-N 441.532 2.383 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740808947 DBQWPBCPASAHAQ-MRXNPFEDSA-N 436.969 2.405 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1 1740915210 YGEBSCWHBGKBFP-UHFFFAOYSA-N 443.511 2.263 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1740927870 YFLXVLFPJJGDPZ-VQTJNVASSA-N 445.612 2.290 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C(C)C 1740937250 CWDDDYJLJVSAEU-DYESRHJHSA-N 436.578 2.415 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740942053 ZYKVSDSSYZHXPF-ICSRJNTNSA-N 442.564 2.089 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(OC(C)C)CC1 1740992962 PXNREVVORRTVCI-UHFFFAOYSA-N 433.578 2.259 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1741000047 SIELPKXGZJDUHN-UHFFFAOYSA-N 438.623 2.443 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)N(C)C 1741839701 IBVGTUWMJAHRMO-LJQANCHMSA-N 447.591 2.213 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCCCO)n1 1742331206 LHUXZCYJFJRIQB-UHFFFAOYSA-N 432.532 2.404 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)CC(=O)N1C 1743243583 CCFXQRVWXPSLNB-NSHDSACASA-N 439.264 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(C)C)cc1 1748639562 JIULIRFCOMPGGL-DLBZAZTESA-N 433.578 2.429 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748808158 AIYRSDHBBFRMIA-HOTGVXAUSA-N 434.562 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cnnn1C 1748834657 RZSMYOBBTPXEGP-UHFFFAOYSA-N 427.468 2.367 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)nc1 1748960301 HKHLCSJJNVPWIA-UHFFFAOYSA-N 429.484 2.432 30 10 IEEE C#CCSCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1749048021 GVHREPPZKSEFJX-SFHVURJKSA-N 432.638 2.075 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749219488 JJMRCHYJMIWKAK-NRFANRHFSA-N 438.576 2.281 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749226421 PXUNTCPTGGTDFF-OALUTQOASA-N 427.553 2.477 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(OCCOC)CCOCC2)CC1 1749348307 MZVUDSAXCXHGOD-UHFFFAOYSA-N 447.580 2.015 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1749461740 IPURTCMANJLSDD-FQEVSTJZSA-N 426.565 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1749663825 RQJSGVDCNABVEJ-GOSISDBHSA-N 449.515 2.396 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCO[C@H]2C)C1 1749717933 RGVQKYXWRIVBTH-JXHRLWIKSA-N 428.533 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749731398 CMUDKHVLOZHYHN-UHFFFAOYSA-N 435.594 2.128 30 10 IEEE COCCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1749740400 VRRXILCPBDNMFT-JOCHJYFZSA-N 444.511 2.322 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1750099211 KRAZZSGXRNIRDQ-LSDHHAIUSA-N 428.518 2.035 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752006342 VEAIRHPAIXGJDC-SSMANRBRSA-N 435.532 2.273 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1760170171 RZKVWQCLEHKSBR-XYJFISCASA-N 425.537 2.251 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760192339 HVYLJBDYNMOOIZ-FHLIZLRMSA-N 447.561 2.165 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)c(COC)c1 1760193309 DASKOJKGOPGEAT-UHFFFAOYSA-N 432.459 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1760208436 COMIWFVARWRQMJ-JXQFQVJHSA-N 432.528 2.330 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1760235497 OSPPTYOKZUMOPL-GOSISDBHSA-N 430.530 2.075 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760380643 JSIOEHJXALQIPZ-RBUKOAKNSA-N 439.004 2.113 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(F)c2)CC1 1760397267 PSDALTHETXTLKJ-CQSZACIVSA-N 437.541 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CC)C1 1760523222 PYBSIMYULHBFHY-MRXNPFEDSA-N 445.593 2.167 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1762915110 HRUSCUJNKUIVJT-PXNSSMCTSA-N 442.589 2.172 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1763749768 FJJDNLUKNBZKCE-KRWDZBQOSA-N 447.547 2.143 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1764127246 FXGXGQAUXAQIOB-UXHICEINSA-N 437.589 2.076 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1OCCC1(C)C 1767943650 ZMFLPFKTJAJPQV-WMZOPIPTSA-N 440.552 2.006 30 10 IEEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCCO)CC2)cn1 1769017925 ZNCKWQCUGHHSTF-UHFFFAOYSA-N 434.548 2.430 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1769531062 YTBCGXBZLOSZIA-IRXDYDNUSA-N 427.461 2.268 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770745195 SFVQMWIJOKJQMU-DQRAZIAOSA-N 449.490 2.274 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC2(C1)OCCO2 1771113205 MWOQCCMSASCRTI-LJQANCHMSA-N 426.521 2.174 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C1CCCCC1)N(C)C 1771222454 IIRUNYXDCWKNRW-MISYRCLQSA-N 434.585 2.241 30 10 IEEE Cc1c(C(=O)ON2C(=O)c3ccccc3C2=O)nnn1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1772788523 AGTRWDJPGGDBIQ-CYBMUJFWSA-N 441.444 2.136 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1772842499 CRIHCJLJNNYYEP-INIZCTEOSA-N 449.515 2.308 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3[nH]nc(C#N)c3C2)cc1 1849793326 XNPIFVJKMPZLFV-HXUWFJFHSA-N 441.557 2.317 30 10 IEEE COCc1c(C(=O)N2CCC(c3ncccc3C#N)CC2)nnn1-c1ccc2c(c1)OCO2 1850754533 RYFTZTTZAUEOKD-UHFFFAOYSA-N 446.467 2.429 30 10 IEEE Cc1c(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cnn1-c1ccccc1 1851251628 WNAJOMXKORRJIJ-UHFFFAOYSA-N 426.484 2.323 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 1858421976 IXLRNNXLVGAAKM-SFHVURJKSA-N 442.516 2.057 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2c(F)cccc2F)cc1 1859014073 XOASJVIKORKALI-UHFFFAOYSA-N 438.452 2.467 30 10 IEEE CCCC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1867237706 OTRGQEMGEMHCOI-LJQANCHMSA-N 428.514 2.441 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1 1868804007 KSBPJYDZMFUKRD-JOCHJYFZSA-N 438.572 2.454 30 10 IEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 1870140603 ZRLCJADXGMSCGE-UHFFFAOYSA-N 437.847 2.119 30 10 IEEE CCCCCCCOc1cn(CCN(CC)CC)c(CN(CCO)CCO)cc1=O 1870412208 ZWXCJSJWJDIDRY-UHFFFAOYSA-N 425.614 2.326 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2cnc(N(C)C)nc2)cc1 1873499716 KKULGVBAGDIWTP-SSDVNMTOSA-N 426.506 2.064 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ncccc3Br)CC2)CC1 1889311991 SQWZRRWNZYYWLD-UHFFFAOYSA-N 449.393 2.106 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cc1 1889663011 MJIATPBIPGLHAT-UHFFFAOYSA-N 433.618 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891975415 CSVADGDIHITIAI-DZGCQCFKSA-N 437.447 2.363 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1 1892325789 MNWJMDKIZNFKBF-UHFFFAOYSA-N 444.582 2.369 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1992856834 YFDPKWMRKATIJN-BZUAXINKSA-N 427.542 2.190 30 10 IEEE N#C[C@@H]1CCN(S(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 2000562546 HNFZNRDLHRGGLT-QFIPXVFZSA-N 440.569 2.138 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523582 IDOUZFXVUBNPFR-MSOLQXFVSA-N 446.353 2.142 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cccnc1C#N 2195271287 GTJUOUZKGIRRRH-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247862022 SVKZTMKXXZOUPO-UHFFFAOYSA-N 428.363 2.024 30 10 IEEE C[C@@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2248416836 ZKBSMYKISMUPDK-TZMCWYRMSA-N 437.371 2.456 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248439112 IYSCFUSTGOXBLG-GFCCVEGCSA-N 441.359 2.045 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255626970 MIDRIRZPNRECSR-OKILXGFUSA-N 434.346 2.275 30 10 IEEE Cc1c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255628876 OBWNQJYEBQWHIS-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 2255635389 GVIFZLSPYLRDLF-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255650911 FXUPOQBZDHKBRG-GFCCVEGCSA-N 430.232 2.252 30 10 IEEE CC[C@@H](CN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255652877 APFUZLUWTKSGKR-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(Cc1ccccc1)C1CNC1 2255794863 CONBQYXTFAZIOO-UHFFFAOYSA-N 442.390 2.457 30 10 IEEE CCc1nn(C)c(C(=O)N(CCCO)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255821075 DENKXRANVDNXJO-UHFFFAOYSA-N 427.354 2.307 30 10 IEEE Cc1ccnc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824175 CJQRXMCYLZAWRM-GJZGRUSLSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2260962350 UJDANJFYRNHRGB-UHFFFAOYSA-N 438.305 2.240 30 10 IEEE Cc1cc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267137547 NZHUXOYVRAPGCY-UHFFFAOYSA-N 446.313 2.309 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2267142205 QZEHHDLVFZVLTM-FPTDNZKUSA-N 446.357 2.038 30 10 IEEE Cn1cc(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178902 ISVXUUYJTCKWKI-LJQANCHMSA-N 438.381 2.361 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267263930 LKWVFNGNGTVTNX-VQFNDLOPSA-N 443.353 2.318 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267515179 KPBNMFNAPGMSNP-GASCZTMLSA-N 448.373 2.189 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267544656 XIKQIPFNBOZDIF-PKOBYXMFSA-N 436.365 2.274 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2267548692 HOPGNJMKKPPXND-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2267548706 HSQLZMJWXRPOLF-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](O)[C@H](N)C#Cc1ccc(Br)cc1 2278808143 ZLRIQWBVXSBCAE-ZACQAIPSSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@@H](O)[C@H](N)C#Cc2cccc(Br)c2)C1 2296228993 FPFNMKBOUJHCSN-KBAYOESNSA-N 439.350 2.372 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@](C)(C(=O)O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2306545364 CWVQQWFKMHAPFH-AUSIDOKSSA-N 428.533 2.407 30 10 IEEE COc1ccc(C=CC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 2323157526 PGLAGAGQXBOLTQ-UHFFFAOYSA-N 438.480 2.359 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@@](C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2326109735 VNJBDLDRYFMEAP-CVDCTZTESA-N 446.548 2.081 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccn1C 2330795044 TWIMITOPCLZSPO-UHFFFAOYSA-N 439.545 2.483 30 10 IEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1NC(=O)OC(C)(C)C 2337202941 QTIOQDUJJAFWIH-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2337295096 UZXXCFCENVJEES-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1C 2337399780 KEQONYFGOHDPGO-LJQANCHMSA-N 438.381 2.374 30 10 IEEE CC#CCN(CC(=O)O)S(=O)(=O)c1cc(Br)ccc1Br 2362979915 VCHHPMRUITXJQZ-UHFFFAOYSA-N 425.098 2.310 30 10 IEEE N#CCCN1CCN(C(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)CC1 100435610 HBJONTNJAMNJDS-UHFFFAOYSA-N 430.574 2.265 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 109937969 WEGOIQZCANKNSR-GOSISDBHSA-N 434.477 2.365 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cn2)C[C@H](C)O1 462088739 FXJFDLLKRAZTPH-HOTGVXAUSA-N 432.488 2.469 30 10 IEEE C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1n1ccnc1 469383064 DSAUDLJFNNRTPB-LAUBAEHRSA-N 441.557 2.265 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cc1 482313428 IPLYNVNFISFYIS-QGZVFWFLSA-N 443.525 2.257 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1C#N 489206129 UVYKXZFLDVKJQV-UHFFFAOYSA-N 449.330 2.171 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 500446250 LHFSZKUCHCXPMA-UHFFFAOYSA-N 440.978 2.072 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)ccc1C 517275162 XEUHSPRFXHAJQC-UHFFFAOYSA-N 435.505 2.135 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)cc1 544036151 KJNWKMKFAUYQRH-UHFFFAOYSA-N 436.921 2.258 30 10 IEEE COc1cc(CNC(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)ccc1C#N 558614974 YGMLHXUFHSERHH-OAHLLOKOSA-N 428.493 2.075 30 10 IEEE CC(C)c1nc([C@H]2COCCN2CC#CCN2CCOC[C@@H]2c2noc(C(C)C)n2)no1 581839500 JVRNDHIIIZNEHX-QZTJIDSGSA-N 444.536 2.150 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604001853 WAKHYLWIKQFOCB-UHFFFAOYSA-N 428.517 2.190 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 611915987 BRDPGKQQPZJQAJ-UHFFFAOYSA-N 432.549 2.239 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 616410111 OZTSQBNVXPAQNU-UHFFFAOYSA-N 438.569 2.087 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 726267804 RJRPCMDLSFZFOA-QGZVFWFLSA-N 428.537 2.432 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CCN1C1CC1 732664387 NTLLINYMPLZHIM-QGZVFWFLSA-N 428.489 2.439 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cccc(C(=O)NC)c1 733819418 ASUOBCQAZNSXMD-DEOSSOPVSA-N 433.464 2.255 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(OC)c3)c2=O)cn1 735068793 LHPHVWKYFYSFMH-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(OC)c1OC 750575497 UXBPWYCFKMGJJP-PYUISTEWSA-N 445.497 2.478 30 10 IEEE C=CCN(CC(=O)O)C(=O)C[C@@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21 757427506 OIILVMGPSFJUHG-MRXNPFEDSA-N 438.480 2.375 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(CO)C(=O)O 757439561 ZCVQNQNCGXECMI-YKSBVNFPSA-N 438.480 2.422 30 10 IEEE O=C(O)C#CCNC(=O)[C@@H]1CC[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)O1 757472268 WBKPVPIVDVRQKW-ZHRRBRCNSA-N 448.475 2.277 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 759396204 QMBPGEREKZSMNF-OAHLLOKOSA-N 443.472 2.397 30 10 IEEE Cc1cccnc1/C=C\C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 759808985 YUADJNNKFWSEDG-SREVYHEPSA-N 447.451 2.415 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(S(C)(=O)=O)cs2)cc1 767289156 KWIZGYDTQSQKLP-KNTRCKAVSA-N 441.556 2.217 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768663898 BYFJESGXYCPYBG-AWEZNQCLSA-N 444.332 2.124 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(Cc2ccsc2)CC1 780179023 HQSNHAPFGLSSAA-OAQYLSRUSA-N 435.546 2.197 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 782780944 NLMZQQVARRLGSE-UHFFFAOYSA-N 449.511 2.235 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)n1 790105363 XIGROOAQUKJHDA-UHFFFAOYSA-N 426.498 2.001 30 10 IEEE COc1ccc(S(=O)(=O)N2C/C(=C\c3cocn3)C(=O)/C(=C/c3cocn3)C2)cc1 790219188 GLBYITWSFJUAIK-MKFXEVHTSA-N 427.438 2.412 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCOC(F)(F)F)C1=O 790745827 FGTLJOSBNNUQMG-GFCCVEGCSA-N 438.497 2.284 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CC(c4ccc5c(c4)CCO5)=NO3)cc2C1=O 801345604 OCDGAYFMJIJOAY-KRWDZBQOSA-N 431.448 2.327 30 10 IEEE CCc1nc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)o1 803914317 SEBVXHPLNMXIOD-UHFFFAOYSA-N 439.428 2.171 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 812937946 IERPKVVMZLMHGM-IBGZPJMESA-N 446.460 2.124 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)n1 813813424 SXKPGVNVEXUOFO-WMZOPIPTSA-N 437.516 2.022 30 10 IEEE COC(=O)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 918547321 OCXFQFLCZWLMHK-YUCJCZDXSA-N 436.534 2.306 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1nccs1 1084416328 VENGZJFHOPDPIH-UHFFFAOYSA-N 449.434 2.254 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)c1 1084503374 KFWKALZSIBMTDP-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC 1127754284 VMNMLYLYURRBMQ-CPUCHLNUSA-N 435.477 2.075 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)NC3(c4ccc(C#N)cc4)CCC3)cc2S1(=O)=O 1130428837 LLIRSPJQRWDGRQ-UHFFFAOYSA-N 439.493 2.158 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1132417767 DNPZVSDBYQQSFW-HNNXBMFYSA-N 445.921 2.202 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(NS(=O)(=O)CCC)CC3)n[nH]2)c1C 1136200919 PBUBFYIKPZSJRX-UHFFFAOYSA-N 434.566 2.010 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(CCCCC3(C#N)CCC3)C2)CC1 1167949873 PPUDPCOBFQLJFO-UHFFFAOYSA-N 440.610 2.417 30 10 IEEE O=C(CN1CCCS(=O)(=O)C[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 1176532169 JYHRHMXAVFPYAC-SFHVURJKSA-N 428.476 2.072 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)C1 1210696763 YHUZUWDQZXKBTN-SJORKVTESA-N 428.537 2.420 30 10 IEEE CC(C)C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 1230351283 OCKXFSMFLCQTFZ-NRFANRHFSA-N 428.533 2.385 30 10 IEEE CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1253797787 KTXZQCHCHHEWRU-BWZBUEFSSA-N 427.292 2.207 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCN2CCOC[C@@H]2C)c1 1286310970 ISVAYSMZDCAIHU-IBGZPJMESA-N 438.576 2.254 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286342490 RESVEDBWJVQYTL-SFHVURJKSA-N 447.609 2.032 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1286387590 SQPQBPYUJKXJNZ-HTAPYJJXSA-N 444.557 2.150 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(C)COCCO1 1286459265 KBNDQSWOSLGRBY-OAQYLSRUSA-N 436.459 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCOC1 1286469089 QBSIDDJYQDZEDV-DEOSSOPVSA-N 442.560 2.392 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286503464 GOKMMANSMGLDNZ-QGZVFWFLSA-N 427.578 2.234 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 1286708572 QUSBTINZRMIPSO-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286777312 SCBFJKKYQXYSLN-MRXNPFEDSA-N 437.541 2.290 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1286789562 HULQRVRJVHNSGD-WOJBJXKFSA-N 439.560 2.237 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccco2)C1 1286802938 FENISCQNEOYPFI-VOQZNFBZSA-N 432.521 2.212 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286812256 MSBDFRKVNSCSJW-ICSRJNTNSA-N 446.573 2.116 30 10 IEEE Cc1cnc(C2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)s1 1290301397 VNRBCRONIKMXNB-ISLYRVAYSA-N 427.534 2.262 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c1 1292767213 RBNCSIKSVGGTPX-QHCPKHFHSA-N 439.581 2.202 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1297695524 HUXNKWZQYICWLG-KXBFYZLASA-N 429.546 2.255 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1297998309 GRPPRFJGJAHOEQ-GOSISDBHSA-N 437.548 2.036 30 10 IEEE C#CCCCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300377279 UXIOPJKDAAJENJ-HSZRJFAPSA-N 431.581 2.475 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300411774 XCUUFZGZLASCNG-SFTDATJTSA-N 442.608 2.109 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCO[C@@H]1C(C)C 1300650716 WCDRCGCPOBOUOU-UYAOXDASSA-N 440.548 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(=O)NCC(F)(F)F 1300665574 NKAXUPFLXWMJRK-UHFFFAOYSA-N 446.433 2.258 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCC(F)(F)C2)CC1 1300705956 FLSFINPPDCDXSA-SFHVURJKSA-N 434.535 2.371 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCCCC2)CC1 1300723655 YTLGSZNSLBVNCA-LJQANCHMSA-N 429.565 2.181 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1300760681 GAAHJLAJYGBBLS-QGZVFWFLSA-N 443.573 2.449 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1300916129 SWZIWEDELPGNJF-KRWDZBQOSA-N 439.607 2.318 30 10 IEEE C=CCN(c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1301322964 BRCRHDAXJCRFIM-UHFFFAOYSA-N 427.509 2.184 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1301508993 YDCMWNISCAHPDJ-UHFFFAOYSA-N 438.576 2.172 30 10 IEEE CC(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 1302531204 FJHRUTQVLLNOHP-UHFFFAOYSA-N 435.576 2.463 30 10 IEEE C=CCC1(O)CN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)C1 1303535611 VUCLELLNIBFFBP-UHFFFAOYSA-N 426.292 2.443 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1303642207 VJQLPIQDNMJRKK-GOEBONIOSA-N 434.541 2.172 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1C(F)(F)C12CCC2 1303835073 VSGIKEJXKSDREI-UKRRQHHQSA-N 442.536 2.454 30 10 IEEE CN1C(=O)Cc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc21 1309136949 BJGVEHOEGKMMCV-UHFFFAOYSA-N 438.509 2.117 30 10 IEEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1315816424 RALUXVYGOKDEIX-INIZCTEOSA-N 442.474 2.000 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1Cc1ccc(NC(N)=O)cc1 1316100835 AYHCOUJYBOESOY-GOSISDBHSA-N 427.509 2.425 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@H](O)C2)CCO1 1316535169 FCMQOFRJKQGCOV-VHDGCEQUSA-N 435.326 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358959617 MITMKQFQCDKMOP-WOJBJXKFSA-N 441.601 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)NC 1358987464 HRBLPOIGNITMHQ-UHFFFAOYSA-N 444.333 2.315 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C 1359019591 ZLBWOQHNPREWJU-GSHUGGBRSA-N 432.496 2.183 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1359227744 KUDROEOBVMATQZ-APWZRJJASA-N 427.505 2.098 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(NC(N)=O)cc2)CCOC1 1359466669 FSDGPRBCAFNOHZ-KSFYIVLOSA-N 441.536 2.453 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C2CC2)C1=O 1359929498 HNXCIJVASIQBJB-VGSWGCGISA-N 427.553 2.006 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1360173346 VNSRNLGPLHJJTK-LJQANCHMSA-N 438.532 2.468 30 10 IEEE CC(C)SCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1360418511 YBHLGMNRTPJOKK-UHFFFAOYSA-N 437.577 2.413 30 10 IEEE C[C@@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1360834607 HSORYFVILXNXEW-IAGOWNOFSA-N 439.289 2.283 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435066380 SVXGJPUDPCFDAK-YLJYHZDGSA-N 438.915 2.380 30 10 IEEE CN1CCN(c2ccc(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cn2)CC1 1440906228 XOALUUFEBDSBMS-IBGZPJMESA-N 444.580 2.427 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)C1 1455705256 OVJFVAIKGJTJGW-NSHGMRRFSA-N 447.601 2.189 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3ccc4c(c3)OCCCO4)C2=O)cc1 1462816017 YJXZZTMHJORSGO-LJQANCHMSA-N 448.479 2.283 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 1464248360 LGANROXDCQDPRZ-LJQANCHMSA-N 449.573 2.394 30 10 IEEE Cc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 1468183884 OSFGJOYNRHKMAA-KRWDZBQOSA-N 448.369 2.252 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1475637526 DVXXAMCZTWOPRU-SJORKVTESA-N 444.598 2.109 30 10 IEEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CCO1 1497614402 LHZYSTLWWIEZCL-NRFANRHFSA-N 446.577 2.151 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2([S@](C)=O)CC2)c1 1507549332 GBTIAYGYBLXVSG-YTTGMZPUSA-N 448.552 2.307 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1507713528 NMRHSZGBWIGCMU-INIZCTEOSA-N 442.589 2.116 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1507731341 GILBAIOQSJAOIB-IBGZPJMESA-N 436.551 2.047 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507786540 XWNWMOXHWTUNDB-GDBMZVCRSA-N 437.342 2.392 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC)C1)c1ccccc1 1507853143 ANHPALZUSVGAEV-IBGZPJMESA-N 434.500 2.490 30 10 IEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1507962634 VDTVUEQUNLWDHR-GOSISDBHSA-N 438.532 2.360 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)S[C@@H](C)C1 1508078972 LZCDCCSGLJIRMA-GJZGRUSLSA-N 429.546 2.349 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)NC)CC2)cc1 1508100767 OICQAPDUGSVIJR-UHFFFAOYSA-N 433.516 2.415 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCC2)C1 1508138889 AHAGCQAIPFOBIW-IBGZPJMESA-N 444.605 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1508144684 WQDAZZFJQAVHRS-OALUTQOASA-N 446.573 2.442 30 10 IEEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1 1511031211 GVBGGVPRFMUKRB-MRXNPFEDSA-N 436.607 2.366 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC2CCCCC2)cs1 1511546968 RDZKXNNPNNBXGV-SFHVURJKSA-N 443.577 2.202 30 10 IEEE Cn1cc([C@@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CCO2)cn1 1517363563 CTJJWVYOSGFOPW-HSZRJFAPSA-N 435.532 2.463 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC4CC4)CC3)n2CCSCCCO)cc1 1521095921 SWVMATRHSQLBNG-UHFFFAOYSA-N 426.590 2.464 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1530298145 UJFGTDPJIFZICU-LJQANCHMSA-N 437.521 2.356 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ncn(CC(=O)OC(C)(C)C)n2)CCCN1C(=O)OC(C)(C)C 1530357483 VTSLDZTXBCEZEB-NRFANRHFSA-N 433.509 2.351 30 10 IEEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1=O 1532781824 YGAFPMYINMQGMN-HSZRJFAPSA-N 446.442 2.348 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1534304261 SPOZULHNJKKMIJ-CVEARBPZSA-N 440.541 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H](O)C1 1538983724 VZYNLNGQZKGEJX-SCTDSRPQSA-N 445.589 2.204 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1539211266 KJPOEKFZNHDXHP-GDBMZVCRSA-N 448.570 2.052 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1539221495 OQGRGBTYXJQHKA-FQEVSTJZSA-N 442.585 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1539238238 UBGVHJGHJANJBN-XUZZJYLKSA-N 439.535 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1539311262 GKCGCODYLBSYHH-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1539569720 RUXYTXAYEBQVLM-JOCHJYFZSA-N 439.495 2.162 30 10 IEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1540859182 KXZNUFJTGWMGSH-MSOLQXFVSA-N 437.548 2.070 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1540873146 OTOYWHBZSFTHOX-UHFFFAOYSA-N 432.532 2.331 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541150623 OWWALBIDZQSDQV-SKQREZPOSA-N 441.580 2.167 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1543449484 GTZBPTJURIBCCC-XXBNENTESA-N 437.500 2.298 30 10 IEEE CCCNc1ccc(C#N)cc1NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1543959716 CQQBQHKHMGQJOB-SFHVURJKSA-N 436.921 2.311 30 10 IEEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1)OC 1555246849 NPEDQHSUMUFIHI-DYVFJYSZSA-N 441.305 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@H]1[C@@H]1CCCO1 1557941727 VVESQSGEXLXXDB-RNQOJCNYSA-N 432.565 2.380 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 1562000037 OGEDCLGBRLQUOR-NRFANRHFSA-N 430.574 2.250 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc3c(c2)CCO3)c1 1567906483 LBRCARDQBDZFFU-FQEVSTJZSA-N 427.478 2.063 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cc1 1570711586 MQPITASACPGGSP-LJQANCHMSA-N 436.487 2.372 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 1584171463 SFPAMHSTXZTNFB-RDJZCZTQSA-N 445.463 2.185 30 10 IEEE Cc1ccnc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1586117408 HOCBEACJSUIYGV-HNNXBMFYSA-N 425.876 2.365 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1587652110 VDEFZYYJXOZWPG-QGZVFWFLSA-N 428.500 2.359 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1589599735 KQUCCRMKHKGQOK-LBPRGKRZSA-N 429.497 2.067 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1594733488 UFWBWSGFUOGKFF-SFHVURJKSA-N 448.568 2.221 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1594807036 BYILPPDHCPWXPF-CVDCTZTESA-N 425.533 2.228 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC=CCO1 1595108589 DHRURBKNMHMZMZ-MJGOQNOKSA-N 431.562 2.426 30 10 IEEE COc1cccc(/C=C(\C(=O)N2CCN(c3ccc(C#N)cc3)CC2)n2nnnc2C)c1 1596589798 NRLXETHGLASUSS-PXLXIMEGSA-N 429.484 2.209 30 10 IEEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCc3ccc(C#N)s3)ccc21 1611454164 ONZCMVSSAHZCFB-UHFFFAOYSA-N 426.502 2.206 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)c1 1611929112 HFSCFGWFYQIKQU-UHFFFAOYSA-N 441.513 2.222 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617699258 ZFDBEFCISFULRB-FQEVSTJZSA-N 443.983 2.353 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC1CCOCC1 1617868440 BFPPJEZGJNXYPM-HXUWFJFHSA-N 438.532 2.323 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1623969472 LOAXQRPFSPIJIU-NXHRZFHOSA-N 444.391 2.486 30 10 IEEE C[C@H](CN1CCOCC1)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1624578734 XCYWUXZFLVNIOA-UZLBHIALSA-N 428.533 2.229 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)n[nH]2)c1C 1624696979 BNEMGGUDUVDSGU-UHFFFAOYSA-N 434.548 2.153 30 10 IEEE CC[S@@](=O)(=NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(Cl)c1 1627007516 DUNUKNBBUQNKKQ-SANMLTNESA-N 425.919 2.452 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1Cc2ccc(C#N)cc2C1 1627600323 JLGWIIURRVCJNB-IBGZPJMESA-N 445.928 2.287 30 10 IEEE Cc1ccc(C(=O)Nc2ccnc(C(=O)OC(C)(C)C)c2)cc1S(=O)(=O)NCC#N 1629000462 FRZHIENXCDQBBZ-UHFFFAOYSA-N 430.486 2.400 30 10 IEEE C#CCN(C(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1636636565 VTKURCYPDHZBHZ-ROUUACIJSA-N 447.557 2.185 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3cc4cc(Br)ccc4o3)C2)c(=O)nc1O 1638091536 NALHSTZPOJPKFL-UHFFFAOYSA-N 444.245 2.096 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 1642484198 LBAIYPLAPCORGK-WIYYLYMNSA-N 425.554 2.096 30 10 IEEE N#C[C@]12CN(C(=O)c3ccccc3NC(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1645997490 ANBRPCNRTYDRFY-HTAPYJJXSA-N 439.493 2.446 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 1666116346 JMBSGSMMMMGGPP-UHFFFAOYSA-N 449.529 2.155 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1689831639 OJSSEBMAAFCUFP-JPYJTQIMSA-N 441.580 2.337 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COc1ccccc1OC 1689851008 KLPTYEUPJCIZNZ-FGTMMUONSA-N 446.573 2.362 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCCC1=O 1689977930 HHCPDAVHBBGQIK-UNMCSNQZSA-N 437.544 2.242 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1689989329 DGXPWOJMWZQXEF-QUCCMNQESA-N 446.548 2.099 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccc(C)c(F)c1 1690043014 LQMKABPFAKHBFX-UHFFFAOYSA-N 433.491 2.019 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1690110314 GTVAHVQOSLXKDP-UHFFFAOYSA-N 436.604 2.162 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690120547 YLVXBBAALSVPBN-QGZVFWFLSA-N 427.553 2.189 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(CCOC)no1 1690244937 AYQYUNDVDWTVNL-QKLQHJQFSA-N 446.552 2.362 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)F)CC1 1690316966 QBKOQVLOTGFHNP-UHFFFAOYSA-N 445.518 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(F)cc(F)c1 1690722840 XLZJIEOFXVSOGQ-UHFFFAOYSA-N 434.472 2.251 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1692015518 XSHJKDKGXVSTEE-HBMCJLEFSA-N 441.532 2.130 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCO1 1692543249 SVOURSFYYFGSAX-WOJBJXKFSA-N 438.532 2.435 30 10 IEEE CC[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694902417 FACZAWWSHJCLEG-MVZUJROASA-N 441.561 2.397 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CSCCS1 1697617668 FHWBBHRGNYNJDM-HOTGVXAUSA-N 447.586 2.443 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC[C@@H]1C 1697676738 LPWZMACNRCDGDA-XJKSGUPXSA-N 436.438 2.356 30 10 IEEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1698184113 UGWTZBBOHWWVAP-AUSIDOKSSA-N 438.532 2.433 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCNS(C)(=O)=O 1705486911 OBHABAKPPZGXCD-ZDUSSCGKSA-N 440.367 2.105 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1705571209 XRWACOZDSHMAOC-SFTDATJTSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705579298 SEPMLDUDWDXEJX-JOCHJYFZSA-N 426.524 2.314 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705660660 BLCXQJUAYLUQLP-TZIWHRDSSA-N 446.665 2.222 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1705676580 HKAUZDUDVISLGR-OPAMFIHVSA-N 440.573 2.176 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802351 ISUDEBFDASZFKB-FDDCHVKYSA-N 446.596 2.477 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1706079082 DFXLNLKOGLFYNX-UYAOXDASSA-N 437.548 2.074 30 10 IEEE C[C@@H]1COCCN1CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1708262667 HFGRZNSETSUOJO-HZPDHXFCSA-N 436.520 2.053 30 10 IEEE CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708822220 NNEJKOAOZKRKGU-LJQANCHMSA-N 439.564 2.316 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CCOCC2)c1 1712878433 FBEOHYVNZORXDU-NRFANRHFSA-N 436.516 2.379 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H](C)CN2CCOCC2)c1 1722306141 YXFLUCSGGCLKRI-IBGZPJMESA-N 438.576 2.426 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1722355139 QYVRKIHDYUZRNY-GOSISDBHSA-N 443.552 2.055 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1722359939 XQHBJZLTLICNCL-APWZRJJASA-N 430.574 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1Cc1c(C)nn(C)c1C 1722426378 BBNHTCPVLMDAGS-UHFFFAOYSA-N 426.496 2.481 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2nnc(CC)s2)CC1 1722438805 CNPBLVVXAKZPOS-UHFFFAOYSA-N 425.537 2.225 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1722537820 RFKXQJOMRHTSBL-SFHVURJKSA-N 432.569 2.149 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1722551895 HPNVKGQEHWUGNS-UHFFFAOYSA-N 425.867 2.195 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722632699 CXUZSNYLNHTQCR-HTAPYJJXSA-N 442.568 2.053 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1722659299 SALFMRSGSMITCJ-QHCPKHFHSA-N 440.523 2.324 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722695404 BOIQKHHNBXMQJD-IAGOWNOFSA-N 428.924 2.148 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(C)C(=O)OC(C)(C)C)n1 1726057399 GLPDTPYQJOOITI-OAQYLSRUSA-N 446.531 2.449 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCN(CC(F)(F)F)CC1 1726402240 CLAHUZVXDOPYPH-UHFFFAOYSA-N 448.497 2.454 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCO[C@@H](C)C1 1727187148 CQACPMJGASTBCV-SFHVURJKSA-N 445.612 2.437 30 10 IEEE COc1cc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc(Cl)c1OC 1729985649 FMHGBPVNMQCCFN-AWEZNQCLSA-N 441.879 2.183 30 10 IEEE COC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1)OC 1730462797 FMINNQNAXPUNAI-SFHVURJKSA-N 447.561 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCS1(=O)=O 1740643244 DGCCAMWRSYUPQU-IBGZPJMESA-N 430.505 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)n1 1740644716 QGUJSORMJRDMPE-UHFFFAOYSA-N 430.434 2.439 30 10 IEEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1740662043 NXWRCXMHEXKZOR-UHFFFAOYSA-N 442.585 2.147 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[S@@](=O)C(C)(C)C 1740682767 ISLPODKTROUSPB-SSEXGKCCSA-N 432.546 2.307 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1740715822 OSJLKXYQTJVUEG-QFIPXVFZSA-N 435.557 2.199 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740755253 JHBDZVVVWHTYDF-RTBURBONSA-N 431.562 2.008 30 10 IEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1740858550 UFMQRSRXXFUHNW-INIZCTEOSA-N 445.593 2.215 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccc(C)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1740949755 RFTLYYZEGGEYGH-QHCPKHFHSA-N 425.533 2.387 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1740965976 OBOBHYODGNULCH-KRWDZBQOSA-N 433.578 2.486 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)Cc2ccccc2)C1 1740975285 AAPGCRRNJDDCDX-LJQANCHMSA-N 433.516 2.175 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1741003789 FHTRQPUOWBMGED-LJQANCHMSA-N 442.589 2.011 30 10 IEEE CC(C)C(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1741295504 GRBSMMHNCWYWGX-LAUBAEHRSA-N 428.468 2.005 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1747730183 DFVKKWGUWUAETO-GOSISDBHSA-N 439.545 2.205 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 1748133363 GVUPPBITNYWYAW-HSZRJFAPSA-N 449.490 2.392 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N(C)C)CCOCC1 1748776381 HHUNLAQHFGVGQU-UHFFFAOYSA-N 443.548 2.151 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC1CCS(=O)(=O)CC1 1748856336 ZNTLMUXVXYPJQQ-UHFFFAOYSA-N 440.569 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCCO 1748886821 MRTIKMSHOCDVHO-UHFFFAOYSA-N 432.528 2.300 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)OC)CC2)n1 1749118450 VGYHPLCLXSREBC-UHFFFAOYSA-N 448.531 2.367 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnn(C)c1 1749142368 YSAJTSCGSKQDAS-FYQPLNBISA-N 430.553 2.353 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749459702 QFADYALHDJLBHM-HXUWFJFHSA-N 441.580 2.324 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749677306 VMROSAQXHRUTEY-RTBURBONSA-N 425.533 2.065 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(C)C)C1 1749730672 MOPPURZJTOXZES-HNNXBMFYSA-N 435.550 2.089 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](OC)C(C)(C)C1 1749736632 MSCMFMMPUKCOAR-SFHVURJKSA-N 436.553 2.470 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCCCC2)CCO1 1750386546 IVADWDQZZACJKB-GOSISDBHSA-N 439.520 2.394 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1750390348 KJAPRBRLBJHHDM-LDSGZGKSSA-N 439.520 2.176 30 10 IEEE CC(C)CCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1750808740 FLWYIPWANDKTFN-NRFANRHFSA-N 439.499 2.425 30 10 IEEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)cnn1C 1751369495 BMQHZQMANDJFBI-QGZVFWFLSA-N 433.582 2.037 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1760118158 ZEDDVTKNNPJTTM-IAGOWNOFSA-N 445.564 2.426 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1760193155 VGJXCLGLPNRUFV-SJORKVTESA-N 449.577 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc(C)nc(N2CCCC2)c1 1760222064 VMXUMVSWUSCQKF-UHFFFAOYSA-N 445.571 2.215 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccco1 1760244129 MGOGHMBHWPJRHC-UHFFFAOYSA-N 442.545 2.274 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(F)(F)F 1760244159 MRYJJUUJAMFISE-UHFFFAOYSA-N 444.483 2.195 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ncccc2F)CC1 1760282305 ZRZSIIJHEPMTKK-QGZVFWFLSA-N 430.553 2.399 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760360997 DCTCKEAZQXPLSX-GOSISDBHSA-N 441.532 2.269 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760380570 HQDYZWUFILRMEJ-BZSNNMDCSA-N 425.961 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1760556668 LYWCMMJGYJKGBB-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1760743124 JXBMIOFROROEGS-DMEQXSTQSA-N 428.537 2.323 30 10 IEEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1761014950 JDKREMQRRWIXRN-UWVAXJGDSA-N 438.573 2.123 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1763773681 PNEGBDIGMITSSY-KOSHJBKYSA-N 435.576 2.464 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CCC1 1765608809 FXQMESOOULOTST-HXUWFJFHSA-N 449.559 2.228 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1766427770 CSOXSOLSGFOYJT-UYAOXDASSA-N 440.548 2.389 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2C)CCO1 1767725964 ASRYZTLELUWJHI-HQRMLTQVSA-N 438.532 2.116 30 10 IEEE COC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1769229821 AFOSNOOBAHERPU-UWJYYQICSA-N 430.484 2.251 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)c1 1770304687 YCJZDNIRGRUUDT-SJLPKXTDSA-N 426.521 2.207 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)c1 1770346396 FCFIHNSXBQMHLR-KRWDZBQOSA-N 428.493 2.207 30 10 IEEE COCCn1cc(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)cn1 1771125103 QXXPJLICNAIPQK-UHFFFAOYSA-N 436.520 2.002 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1771268987 XVSRLSSWQRJSSK-WCRBZPEASA-N 425.533 2.467 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)C1CC1 1771355980 XTTVVTIXTOUSSQ-LJQANCHMSA-N 427.530 2.175 30 10 IEEE N#C[C@H](COC(=O)C1CN(S(=O)(=O)C2CC2)C1)Cc1ccc(Br)cc1 1850450994 PDBUFEDEPVLHPQ-CYBMUJFWSA-N 427.320 2.099 30 10 IEEE N#Cc1ccc(CC(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)cc1 1850882729 DXXIKDOUTFSSSO-UHFFFAOYSA-N 432.459 2.242 30 10 IEEE CC(=O)NC[C@H]1COCCN1[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 1851419292 PTVALAVBMFLCLB-UZLBHIALSA-N 431.496 2.155 30 10 IEEE COc1ccc(CN2CCn3nc(C(=O)Nc4nc5n(c4C#N)CCCC5)cc3C2=O)cc1 1852107327 JRQLIQPQSUSRJK-UHFFFAOYSA-N 445.483 2.204 30 10 IEEE CC(=O)N1CCN(CC(=O)N(c2cc(C)ccc2C)c2nccc(N(C)C)c2C#N)CC1 1852573163 GVQRCQJFGSMLHV-UHFFFAOYSA-N 434.544 2.465 30 10 IEEE CCCCN1C(=O)CC[C@@H](C(=O)N(C)C(C[N+](=O)[O-])=NC)[C@@H]1c1cccc2c1OCO2 1853019026 UKBHHSVXDLMQBV-BEFAXECRSA-N 432.477 2.259 30 10 IEEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3C)C2)CC1=O 1855759129 QKOJGHGHPZWWOW-MRXNPFEDSA-N 439.965 2.048 30 10 IEEE COc1ccccc1-c1nc(CC(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)c(C)o1 1866672207 ZDJOVYBSPGQUTA-LJQANCHMSA-N 434.452 2.189 30 10 IEEE CCCN1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782879 MKLKQHNFYCGLCT-IEBWSBKVSA-N 431.606 2.084 30 10 IEEE CCCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868795180 JLESKMMJKFWLTN-WOJBJXKFSA-N 445.633 2.474 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004806 MDOALYOTUMODSM-DOJUMQAQSA-N 427.530 2.468 30 10 IEEE C#CCOc1cn(CCCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870561737 ATTKZKXRJCMSFD-UHFFFAOYSA-N 438.572 2.143 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1CCCC1 1870741863 HCNKINPXIOGHDL-UHFFFAOYSA-N 425.485 2.434 30 10 IEEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1902431758 RCTQCAZORBJVHY-MOPGFXCFSA-N 436.574 2.265 30 10 IEEE C=CC1(NC(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 2022839504 DQOSKUMWAAYNEQ-UHFFFAOYSA-N 439.553 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2070054265 PFFVNOZWXXBCNM-QHCPKHFHSA-N 432.370 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]21 2247833384 FRPDLQCSHLZMTP-JYAVWHMHSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)cs1 2248403169 BRCVYXNYVDCXNY-UHFFFAOYSA-N 435.355 2.461 30 10 IEEE C[C@@H](NC(=O)C#CCNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248405942 XMEDIQFQFIQULB-CYBMUJFWSA-N 435.355 2.148 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(=O)O)C1 2254645229 LIEWHVJFBATDCJ-OAQYLSRUSA-N 434.298 2.224 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H]1O 2254803934 VKAGZJVOGYVVFC-UAGQMJEPSA-N 433.358 2.457 30 10 IEEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255542520 SYJHGXRYQSXHBT-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@]12CCCOC2 2255602630 VDSMUJROLBWERY-OPAMFIHVSA-N 434.342 2.296 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255697408 HIDDUAJJHQTTIT-CQSZACIVSA-N 434.346 2.199 30 10 IEEE COCCN(CCNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255816123 ZLGHUGUGVNRCFP-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255882706 TYKDDQXNKOGANX-GOEBONIOSA-N 431.342 2.414 30 10 IEEE CO[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2256021371 IAQDIQQDGURQMJ-QZTJIDSGSA-N 433.358 2.296 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256638644 BYZCEERRDZKFIE-OIISXLGYSA-N 436.358 2.441 30 10 IEEE CC(C)C[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2267163994 LVPRYXUCGADKJU-INIZCTEOSA-N 448.373 2.445 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267528375 DEWNXXWHIFDZRP-LJQANCHMSA-N 438.381 2.360 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267546803 BMSTUXDNPSFZDA-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)NCC=CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267801911 LJJFOIWZPXTQKV-UHFFFAOYSA-N 448.325 2.208 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)nn1 2268643318 WPIGCFOUZZFBLK-UHFFFAOYSA-N 447.345 2.207 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268794655 AGXRCDIVBIOZLC-DZKIICNBSA-N 444.341 2.278 30 10 IEEE C#CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC2(CCCC2)C1 2288213489 PUMAXLWUHFNIIE-KRWDZBQOSA-N 434.514 2.012 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)n1 2315389290 AAWKJUJIVGTZJG-KRWDZBQOSA-N 433.358 2.419 30 10 IEEE CO[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2322309527 TXVZOCWXCBRUNW-HOTGVXAUSA-N 437.321 2.248 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)c1 20527385 ZJVLZVRYRVJPMY-AWQFTUOYSA-N 443.445 2.035 30 10 IEEE CCN1C(=O)[C@@]2(/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 103119899 GGPFWLNFKLUGBE-RLRPEEDVSA-N 437.496 2.482 30 10 IEEE C#CCN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 111046000 JBTVVBHCPRMZOQ-NVXWUHKLSA-N 431.539 2.141 30 10 IEEE COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)cc1 409481103 ZLMNOPKAIFBQBT-AWEZNQCLSA-N 440.485 2.300 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@H]2CCCO2)n1 461063347 VJXHQPYAIQMTND-ZWKOTPCHSA-N 445.531 2.204 30 10 IEEE CN(CCCC(=O)Nc1cnn(-c2ncccc2C#N)c1)S(=O)(=O)c1ccc(F)cc1 461297920 HSAIXGVONKZZAK-UHFFFAOYSA-N 442.476 2.317 30 10 IEEE Cc1nc(CN2CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)n[nH]1 470537126 IRUIJSAZMILTKN-UHFFFAOYSA-N 436.520 2.046 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 473747411 VZHVIRTWHOURSB-UHFFFAOYSA-N 431.924 2.433 30 10 IEEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489066246 CJMOLEJURTZWLV-UHFFFAOYSA-N 428.514 2.244 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 499486697 CNIPLHZZPSLIFP-OAHLLOKOSA-N 442.882 2.383 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 502653602 MIRIWFNGYBJPKX-AWEZNQCLSA-N 433.461 2.124 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 508828183 OLVDBXRVQPAXDW-MRXNPFEDSA-N 437.591 2.155 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)n(C2CCCC2)c1C 511125975 ODTBFHGREUQBOA-GOSISDBHSA-N 435.594 2.386 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 523358509 OOGFSUWPDWKZAM-IBGZPJMESA-N 449.467 2.397 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1=O 543084669 PLXYTGVLGCAQRG-SFHVURJKSA-N 433.468 2.385 30 10 IEEE CC[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 544857606 WNGCCCXNVBPQBT-DHIUTWEWSA-N 448.571 2.464 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)[nH]n2)CC1 550646449 DWMXEOSYLWLEPY-UHFFFAOYSA-N 435.509 2.019 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 561103527 ZGZDNCWIIZREEQ-BBTUJRGHSA-N 436.516 2.055 30 10 IEEE CCOc1ccc(C(=O)N2CCC(NCCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 583896688 KDUGXMMJAWSJIQ-UHFFFAOYSA-N 442.541 2.020 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 642721184 GHEYJNDRMWKGRY-RBUKOAKNSA-N 447.561 2.234 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 670213995 AQFHMOUIDANCEZ-KRWDZBQOSA-N 435.532 2.356 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670216026 DUFDQPQMCYEYCO-INIZCTEOSA-N 428.468 2.045 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(F)c2)cn1 730144455 MNJRKCFILSISBH-SFHVURJKSA-N 446.552 2.242 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3cccc(Cl)c3)c2=O)cc1[N+](=O)[O-] 730250601 AJQSGCBOWHBQRI-UHFFFAOYSA-N 438.852 2.496 30 10 IEEE C#CCN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)[C@H]1CCS(=O)(=O)C1 732061983 NCTMPMYLAXXKJB-INIZCTEOSA-N 437.587 2.461 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CCN1C1CC1 733666553 VDRDIVJPSNKRQO-HNNXBMFYSA-N 426.864 2.060 30 10 IEEE COC(=O)c1cc(F)ccc1COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733832051 WMEWTZGERCEEFD-SFHVURJKSA-N 439.399 2.432 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]2CCCO2)c1=O 743728033 FSWZZAHBCWOVLW-CQSZACIVSA-N 431.583 2.362 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccc(OC)c(C#N)c2)cn1 746522886 PWKHOCLQJWBYEY-QGZVFWFLSA-N 426.502 2.051 30 10 IEEE CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 749081921 FHLUHHHPMWWZCM-XZZKVDLTSA-N 439.560 2.365 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)s1 752192800 AHGCFXCUNUTORG-CYBMUJFWSA-N 431.583 2.226 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCN(c2ccccc2)C1=O 758751108 IHAHCRRCHMIFDP-KBAYOESNSA-N 427.505 2.192 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)cn1 763712466 RQCPMFQPWMQMFA-UHFFFAOYSA-N 442.888 2.439 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)Cc1ccc(Cl)cc1Br 767080452 DVBJALGOZVQADW-CCEZHUSRSA-N 448.726 2.048 30 10 IEEE COc1cc(OC)cc(S(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 774417606 KOSRUJREVFFGID-UHFFFAOYSA-N 445.497 2.236 30 10 IEEE Cn1c(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc2c(=O)n3ccccc3nc21 784420853 GSPXOTQTTHGJJK-UHFFFAOYSA-N 426.480 2.457 30 10 IEEE C[C@H](C(=O)OCc1ccccc1[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 798857973 ZNXJZBJLXSHVIS-QRQCRPRQSA-N 441.488 2.283 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)n(Cc2ccco2)c1C 800260745 MGJGHIOTORAEOF-NZURPHHHSA-N 445.475 2.427 30 10 IEEE C#CCN(C)CCCNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 818588740 FLEQGGZZOHFZSX-UHFFFAOYSA-N 425.982 2.393 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)c1ccc2c(c1)NC(=O)CO2 914699068 BFBGGRMRSHNKIY-UHFFFAOYSA-N 438.469 2.444 30 10 IEEE Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 916711114 KAEOYJVBQVZLBP-CLCOLTQESA-N 432.550 2.214 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1 1084049825 PWAFMIKHKFTIFG-CQSZACIVSA-N 425.518 2.416 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)C1 1116538919 FOHMLQBDCVZVMI-SJORKVTESA-N 444.557 2.394 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cnccc3C(F)(F)F)C2=O)cc1 1131485081 SXXCLQGQZPRYAY-INIZCTEOSA-N 431.374 2.493 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]([C@@H]3CCOC3)C(F)(F)F)CC2)cc1 1134510048 CDHPJCGWEMCRTQ-NVXWUHKLSA-N 445.463 2.043 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)s1 1136699540 BUKFHBMWZAJMIQ-QGZVFWFLSA-N 433.555 2.019 30 10 IEEE CN(C)CCOc1ccc(CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1153866281 MXOQGTDOVLNNGW-UYAOXDASSA-N 430.549 2.435 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 1156164216 RSWYQSRSCCYINY-HNNXBMFYSA-N 437.990 2.343 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cc1C 1156591245 CCKGTYWOBHWPCV-UNMCSNQZSA-N 430.508 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)C4(C#N)CCCC4)CC[C@@H]32)CC1 1161791269 CVEYLZQOAWHVFT-ROUUACIJSA-N 445.564 2.465 30 10 IEEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1163597925 GUWYZMPOORQXRG-ZDUSSCGKSA-N 431.341 2.500 30 10 IEEE N#Cc1cc(Br)cnc1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1185339507 QTTWFNUTVVMVLF-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 1190493792 AFDOZPCXKXKWSV-UHFFFAOYSA-N 442.541 2.468 30 10 IEEE N#Cc1ccc(N2CC[C@H](N3CCN([C@@H](C(N)=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 1192927906 DGVUZKZTHKZJSB-LEWJYISDSA-N 437.931 2.161 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 1211784382 HCIGMDGZOCDNSA-IRXDYDNUSA-N 425.482 2.064 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1233711414 BGNTVBKOTBCIRF-SJCJKPOMSA-N 437.319 2.010 30 10 IEEE CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](Cc2ccccc2)C1 1278302941 CYXXWVQOPXHCAO-VXKWHMMOSA-N 445.523 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1286277870 IMFMXAKEBQOBNH-KGLIPLIRSA-N 438.623 2.343 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286322882 HOUKXELMMKZLDJ-INIZCTEOSA-N 427.471 2.480 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1286455694 HYYZOKAFJJJPKC-IBGZPJMESA-N 448.502 2.493 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1286501594 YPBLVXKZDBQTHY-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCC)CC1 1286509447 QRBYLLHYNKNOEF-MSOLQXFVSA-N 440.635 2.332 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1286561423 FAHGGBHPEJFKSG-SQNIBIBYSA-N 439.626 2.322 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286593438 NGTDXGIYJAUDEH-LJQANCHMSA-N 430.597 2.319 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286633559 YCXGLDLIJOGKQN-FUHWJXTLSA-N 432.956 2.384 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1286637971 QNLQAHWYFYKPTP-RBUKOAKNSA-N 438.642 2.413 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286669748 RHYWCVDTWUXMPI-INIZCTEOSA-N 435.536 2.474 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286687125 LTSXTFVXEJIFSJ-UXHICEINSA-N 429.613 2.190 30 10 IEEE CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)cc1 1286896349 LDMQNJVGRLDGGU-IBGZPJMESA-N 437.529 2.369 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1287420647 UGSVBIQEFCWTDQ-ZDUSSCGKSA-N 449.356 2.173 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cc1C 1289805026 GDSBMFWJZVBGQM-HSZRJFAPSA-N 449.490 2.458 30 10 IEEE CNS(=O)(=O)Nc1ccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1297139254 CFWITUSIUAOZNR-UHFFFAOYSA-N 436.534 2.152 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300495843 KBLBKVAKPTZCHY-AABGKKOBSA-N 435.638 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCS(=O)(=O)C1 1300590767 FHQNJJRZIYWYFS-HXUWFJFHSA-N 440.569 2.372 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1300613965 VWNVATWLJUAOAL-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1300970663 ZVEANMMJWQRVHU-AUSIDOKSSA-N 446.596 2.477 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300994389 RQRMXOYCTGPOBZ-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCCS2(=O)=O)CC1 1301096089 WJNOXZXKDKDPJT-UHFFFAOYSA-N 447.561 2.058 30 10 IEEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1301481103 HUKVXBSMWFMERY-GOSISDBHSA-N 425.537 2.235 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1301613559 ZBJIEFUXUGBCDC-MRXNPFEDSA-N 427.640 2.066 30 10 IEEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301659559 LLLDHCFHBFACLE-ACRUOGEOSA-N 441.532 2.488 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1Cc1ccc(C#N)o1 1302095180 SQFQJFZEWINDOL-IAGOWNOFSA-N 444.536 2.208 30 10 IEEE C[C@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)C1 1305166180 UNTPIIRQWHNZRK-MEUCICPISA-N 436.520 2.134 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1313668681 RROYGUYARKZHFI-FFZOFVMBSA-N 426.521 2.021 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1cc(C)nn1C 1314373838 FWXAIPGRNLYSEG-UHFFFAOYSA-N 434.548 2.493 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(F)(F)Br 1316176010 FSUMYRWYUCQAIC-MFKMUULPSA-N 426.237 2.432 30 10 IEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cnn1CCC#N 1348622449 JXGVDMHGVZFHDM-UHFFFAOYSA-N 429.546 2.375 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1358961114 RXOGJUQDUBJIBZ-JLAWEPINSA-N 445.589 2.116 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358966455 PJBHMYCTTYVBSQ-OAQYLSRUSA-N 442.585 2.117 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1359004572 BPKOPHNFPGABHI-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1359047675 OXRTZEWGFNSXNZ-DYESRHJHSA-N 437.544 2.197 30 10 IEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1359130981 DOTXMRDAJYHKKQ-GOSISDBHSA-N 438.532 2.360 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359134647 CDEOOEDBESLHEV-OAQYLSRUSA-N 426.565 2.158 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)CC1 1359178986 IPIMWXIPYZMYGO-JWIGPWBQSA-N 428.624 2.130 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1359295843 PHVQLOUJTAYMCV-UHFFFAOYSA-N 446.983 2.448 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)nc2)C1 1359320763 VFWKDBINPUVKJL-RTBURBONSA-N 439.564 2.300 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](OC)[C@H](OC)C1 1359339670 NPGAUWYVHYPKKH-KDURUIRLSA-N 432.546 2.486 30 10 IEEE CC(C)N(C)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1360107130 DMBZYJOYJJMLDL-UHFFFAOYSA-N 433.564 2.217 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1360338379 CLEZAVANGCGIDO-BMGDILEWSA-N 429.443 2.185 30 10 IEEE CN(C)S(=O)(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1361253680 CJGUTDCFEBJSGD-CQSZACIVSA-N 447.900 2.420 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)OC(C)(C)C 1441662093 BRWQWGCUFPDWAC-PTGBLXJZSA-N 448.545 2.308 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C 1452936722 QVNPVUMSYBQZKW-IRXDYDNUSA-N 437.581 2.016 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 1453716467 SWGNZUIBWDFRPH-CQSZACIVSA-N 431.334 2.228 30 10 IEEE COC(=O)[C@@H](NC(=O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(C)C 1460875633 KVLUPACEYRYHNG-QXEWZRGKSA-N 440.331 2.403 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 1464616307 GPSMAAKHGHOGJY-MRXNPFEDSA-N 426.966 2.473 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)CC2)cn1 1471717723 CHGSLOXJSNLDFE-QGZVFWFLSA-N 440.301 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC2(c3cccc(C#N)c3)CCOCC2)CC1 1473654146 XWFUZNZTIKKQNJ-UHFFFAOYSA-N 428.533 2.233 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1499949927 RQKVJYKSTOLSDF-QHCPKHFHSA-N 432.532 2.484 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C[C@H]1CC 1503219288 AFHONONQIOYLFW-OAQYLSRUSA-N 449.563 2.046 30 10 IEEE CSCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1505260996 ICVVRYJWBHZXES-FQEVSTJZSA-N 427.509 2.387 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@H](O)C2)c1 1507549982 CXVXANYBBVXPJZ-ZVDOUQERSA-N 437.544 2.389 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507564551 SCCZAOIJGJWCRM-GOSISDBHSA-N 425.537 2.101 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507711465 CNJKKZHYFLLSKQ-REWPJTCUSA-N 425.533 2.078 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCCO[C@H](C)C1 1508092586 CXEWHNAGUIPLNG-QGZVFWFLSA-N 429.521 2.173 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1509735554 DTJKUEIBBDEWLE-AUSIDOKSSA-N 438.532 2.116 30 10 IEEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1514068029 GVQGYHISPMPHIE-KRWDZBQOSA-N 446.577 2.294 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)OC 1519149787 BXTJJQKZKPGYGV-GOSISDBHSA-N 426.521 2.179 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)SC)c1 1539044116 YJXOXNYACQJVPS-WMLDXEAASA-N 426.546 2.037 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539050266 ZVYTWRIKGLVFNJ-AWEZNQCLSA-N 440.367 2.463 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539079710 YYWIYCGFYCXQTG-HXUWFJFHSA-N 438.580 2.329 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539124527 QAAOZHFGPSMNPX-UHFFFAOYSA-N 433.553 2.330 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1539182780 LRMRQOKMWRDJKQ-QFIPXVFZSA-N 429.565 2.285 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539220239 HQSPCOUCGYWKAW-ZGXWSNOMSA-N 448.589 2.128 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539224455 HITKYLZDYFLXGU-NZSAHSFTSA-N 448.614 2.230 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1539366418 XQAHVYNDFSBIIU-SFHVURJKSA-N 432.569 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1539444825 VBISUPSXZOIBGC-UHFFFAOYSA-N 439.564 2.352 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC 1539540385 NGTGCEQUCPONLE-OAQYLSRUSA-N 431.562 2.224 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1539778410 AMZRUGPIUYQQIY-UHFFFAOYSA-N 448.774 2.446 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540036337 MCZURQJTQHGGBP-INIZCTEOSA-N 445.486 2.270 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1540080312 HBXITHZMDOFJNN-UHFFFAOYSA-N 426.546 2.185 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540872736 ZBVCGHAUQYQDLI-HXUWFJFHSA-N 436.560 2.071 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1541687194 JKGWIHSYMNSUAS-LJQANCHMSA-N 432.532 2.459 30 10 IEEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1543468753 KHQWUFHGCGFKRP-OAHLLOKOSA-N 448.463 2.140 30 10 IEEE COc1ccccc1[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1544403800 MZEPURYPTXOZNJ-HXUWFJFHSA-N 429.498 2.101 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1554567800 CVCVNTAJXYXXMX-ZBFHGGJFSA-N 446.533 2.003 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCS(=O)(=O)CCc3ccccc3)C2)nc1 1564642480 LWUVMWUMGKTRNM-HXUWFJFHSA-N 441.557 2.197 30 10 IEEE Cc1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 1570660589 IZVSKUXIHRRTBA-UHFFFAOYSA-N 428.514 2.332 30 10 IEEE CC(C)(C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)n1cc([N+](=O)[O-])cn1 1583848165 MFAJYVFRKARVMQ-UHFFFAOYSA-N 434.460 2.137 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1587614556 KOUBIAZKCVCWRN-KRWDZBQOSA-N 429.594 2.182 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1588253994 MGUTZHRLUQUXFM-FQEVSTJZSA-N 435.528 2.243 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(CN2CCOCC2)CCCCC1 1588262978 NSLDWRDUJOWEPW-UHFFFAOYSA-N 430.597 2.159 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1588272048 UEVJXSXXZIBIBW-QHCPKHFHSA-N 426.517 2.404 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)N(C)CC)CC1 1588750526 DXURFXJCUQCWDN-UHFFFAOYSA-N 431.544 2.035 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1589042677 KBAOYHOOSYCISK-HXUWFJFHSA-N 441.649 2.255 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@H]1C 1589427155 BVWRNAXILDJYIX-CQSZACIVSA-N 444.337 2.092 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1593746697 LCNDSLSVJMMRFZ-LPHOPBHVSA-N 427.505 2.050 30 10 IEEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1593879327 QEXMFCVAQBUDNP-QGZVFWFLSA-N 439.004 2.351 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1594626751 OJXOLJNXUHYEJJ-HNNXBMFYSA-N 440.595 2.060 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1594627033 QUJUMYZKRCJPKO-QZTJIDSGSA-N 426.583 2.167 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1594858290 YGBTZICMZMNXGH-BBRMVZONSA-N 442.536 2.092 30 10 IEEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1595229919 XAXSBTGNRAOSRE-JOCHJYFZSA-N 446.573 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](COC)C1 1595497084 PKFWNQIEMQOLJO-RDJZCZTQSA-N 445.589 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCc2oncc2C1 1595824246 ZUTPYGXHLZMBFW-UHFFFAOYSA-N 443.529 2.317 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1595870946 AKTWEHJVVFFOGR-CQSZACIVSA-N 439.545 2.180 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1596848661 AWDXHBXOFHMFMZ-ZTFGCOKTSA-N 428.541 2.004 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ncc(S(=O)(=O)NC(C)(C)C)s3)cc2C1=O 1597065441 ZBFHRYVYLHZOET-UHFFFAOYSA-N 448.526 2.254 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1612144521 KBOJOVNJJWWJCX-UXHICEINSA-N 427.505 2.090 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1Cc1ccc(C#N)o1 1613573620 ZRBWZGSRKWPAFK-MRXNPFEDSA-N 437.508 2.142 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617699263 ZFDBEFCISFULRB-HXUWFJFHSA-N 443.983 2.353 30 10 IEEE CNC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1618244849 RQYLMHWNFHAOCZ-MBSDFSHPSA-N 426.517 2.377 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CC2)n1 1619468155 QKGANJXHBCBHKO-UHFFFAOYSA-N 448.531 2.105 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1628214596 UNILCOWFDZJBKV-LBPRGKRZSA-N 426.395 2.460 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 1628969962 MGAHCLBICPSDCO-KRWDZBQOSA-N 437.525 2.128 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCn2cnnn2)c1 1629968298 DTOZJKQEUPZZRM-UHFFFAOYSA-N 446.920 2.138 30 10 IEEE CCOC(=O)N1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1631593367 HAJVLAQKBHPFGE-UHFFFAOYSA-N 435.322 2.448 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1632646407 POTSKLJCDSOGLO-JKSUJKDBSA-N 437.537 2.188 30 10 IEEE CCN(CC(C)C)c1nc(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 1633055363 CTZZUYQVAHSASL-UHFFFAOYSA-N 429.594 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H](O)COCC1CC1 1635847774 ULIAEWCAFRRDGL-QUCCMNQESA-N 429.517 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1637505769 INLWEWDBLWLLQB-JVMRMLDLSA-N 434.537 2.446 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)s1 1640916434 DBKATOZOICIZIA-UHFFFAOYSA-N 443.591 2.269 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)s1 1642035199 GLDCBDJURIFPQZ-ZDUSSCGKSA-N 431.580 2.127 30 10 IEEE O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCCOC(F)(F)C(F)(F)F 1644887010 ALNBENFUWPBKFG-UHFFFAOYSA-N 444.300 2.272 30 10 IEEE CCOC(=O)[C@](C)(CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)CC(C)C 1645158200 FXYPLBSAGVJHSK-VFNWGFHPSA-N 437.562 2.235 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)n[nH]2)c1C 1649368298 ICEILICLMCQBOJ-MRXNPFEDSA-N 433.516 2.184 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H](CC(F)(F)F)O1 1654304690 ZDWFARVHGUAHEQ-PMPSAXMXSA-N 430.496 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690042013 QJMOGRYGVYKHAB-HXUWFJFHSA-N 441.543 2.304 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2ccccc21 1690093983 PDTKEKWNKRACAK-PKOBYXMFSA-N 445.589 2.094 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(C)C)C1 1690106550 ZSDIYXJPXUFXAD-OAQYLSRUSA-N 427.597 2.346 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC(C)CC2)CC1 1690170616 NXARUWOZKFWSSA-CTWPCTMYSA-N 430.622 2.296 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690301816 YWJGVEKLTKRORT-LPHOPBHVSA-N 447.511 2.101 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1690369402 IZEBKIVPRVGZLP-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1690668014 PMBDDAKFCOEDLF-IBGZPJMESA-N 433.560 2.297 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCC(F)F 1694125212 DMWSOSJMSSDXLU-HUUCEWRRSA-N 434.495 2.450 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C#N)C1 1695496456 DWNKCXSNPVHQPV-MRXNPFEDSA-N 428.562 2.483 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1695805188 BYYQTSUVVLRAPK-WMEZAZGNSA-N 429.569 2.021 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCC1 1696663610 RNWOVEUKIBLMJV-UHFFFAOYSA-N 440.548 2.385 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1697188093 WQNFSVCXFVRTAJ-MOPGFXCFSA-N 442.568 2.041 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1697834968 YWLSJYCQLHOHAQ-UHFFFAOYSA-N 443.458 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1705479623 KHHPIORSKCRCOR-QWHCGFSZSA-N 440.367 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1705491555 DYXQIRDVQPQGQO-SJORKVTESA-N 428.558 2.379 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705525915 ZEVOYDVWRDGORZ-UKRRQHHQSA-N 431.338 2.174 30 10 IEEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1705527504 ZQWNDNRQMYIGRY-WBVHZDCISA-N 427.574 2.496 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705558704 GDDTXJSKHUPIAJ-FPOVZHCZSA-N 435.532 2.317 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@H](C)C1 1705583163 RPHNKSBKKYZAEP-ZRCGQRJVSA-N 449.555 2.363 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2nc(C)cs2)CC1 1705642378 ROJTZFHTICXIRK-MRXNPFEDSA-N 438.605 2.464 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705699627 JJSHEKFWIZFHGN-WKRCXCSHSA-N 444.580 2.096 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705830017 IAXXVZNOOYHAEO-WOJBJXKFSA-N 446.596 2.347 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CC2)C(=O)C1 1705890525 VDLNXOMODKYSKK-UHFFFAOYSA-N 430.553 2.390 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705907070 YVOFVOYLUZFMFV-YJBOKZPZSA-N 449.939 2.053 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706529570 MAKCLQPDFKROIB-BSBNDGSWSA-N 439.520 2.051 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1708820362 FFSFEYGMXMHDLB-UHFFFAOYSA-N 449.563 2.131 30 10 IEEE CCc1nc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)no1 1708991473 CZFDMADFPGOTGS-CYBMUJFWSA-N 429.431 2.064 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1712694982 FUVWBSWNOVOIQE-RTBURBONSA-N 443.529 2.045 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCSCC1 1712913006 QOCMPYHRPDCDLE-VLGSPTGOSA-N 445.936 2.073 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722366296 HTFMYGZZJNQVHA-QZTJIDSGSA-N 449.646 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722392177 ANDQNIZMXRYJKL-OAQYLSRUSA-N 433.556 2.465 30 10 IEEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722407295 NJWTVZIZFUNEBQ-IBGZPJMESA-N 441.601 2.489 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722416858 QKRUNEWJIJZUGE-IERDGZPVSA-N 429.546 2.067 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722462202 KYNKIRMZRQXQMO-FQEVSTJZSA-N 437.573 2.041 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C(C)C)CC1 1722559161 MWEVXQDMZPVPDA-RDJZCZTQSA-N 425.961 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722728910 CLKIKYIFECZLKK-TZIWHRDSSA-N 443.617 2.451 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCc2oncc2C1 1722732035 SYSBHMJJKVVOPQ-UHFFFAOYSA-N 443.529 2.317 30 10 IEEE CN(C)CCOCCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729341193 YOULJUROHCOGIU-UHFFFAOYSA-N 427.528 2.071 30 10 IEEE Cn1ccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1729581224 IHLQXTLXYHINCE-IVZHQMGZSA-N 444.515 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1740530936 BHCCHTZUGXURIX-IRXDYDNUSA-N 429.546 2.040 30 10 IEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1740571753 SKDDDXZXDRHGRY-QGZVFWFLSA-N 447.543 2.180 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740574053 JLIYMFVJTRHJEK-MSOLQXFVSA-N 433.553 2.315 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1740622929 LBSZGZKUHNEECX-FQEVSTJZSA-N 428.558 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1740636317 XTNXDWBIIWLHEP-CTNGQTDRSA-N 430.516 2.055 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCSCC1 1740637029 NJQADKVJJIDNMI-UHFFFAOYSA-N 431.569 2.252 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 1740686938 YVMAXTHPVJGAMQ-MRXNPFEDSA-N 439.438 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1740704590 UBIZPQWSBQTXOZ-TZIWHRDSSA-N 434.544 2.287 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740863604 BKNXSLMQSYOXEY-RTBURBONSA-N 430.597 2.318 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1740885041 VJIMZCHQWJFTLM-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1)C1CC1 1740913879 VTVDLXZOPRBVGS-UHFFFAOYSA-N 425.533 2.488 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C(=O)NC)C1 1740975719 XLFVDWHOYHTYJW-QGZVFWFLSA-N 428.493 2.407 30 10 IEEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1741204522 SNOMUHJBHZIOKL-UHFFFAOYSA-N 448.579 2.452 30 10 IEEE C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1741793021 SFWGTGJPTXEPEH-HHRDJLPXSA-N 426.477 2.446 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1743036960 UKAOIQJUDDBLHS-IERDGZPVSA-N 431.562 2.239 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1746405525 ALQYTJUDODROFE-IBGZPJMESA-N 430.578 2.172 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1748846507 HVBRUWLGVATCBR-OAHLLOKOSA-N 441.538 2.018 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1748855540 BSIKDFRDWGXOFW-ZJSXRUAMSA-N 431.496 2.140 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1749114635 DRIPJZVRZQWUGS-OALUTQOASA-N 440.548 2.133 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749207727 QOKGVHLNHTWKOM-QHCPKHFHSA-N 437.548 2.488 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749661095 XZLZYYGZFAFQHH-FQEVSTJZSA-N 445.531 2.169 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749733792 CMTNIVLVOOTNSI-DYESRHJHSA-N 440.610 2.242 30 10 IEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750999209 HGXLQWYXIODMIB-HKUYNNGSSA-N 439.520 2.089 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCCN3CCCC3)CC2)c1C#N 1751828334 YYUTUFFPHWSMEY-UHFFFAOYSA-N 425.585 2.093 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1760175979 WKYHHTGHLKJUMI-HXUWFJFHSA-N 441.601 2.087 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1760229537 VMLZLGRXNRNMIM-GOSISDBHSA-N 443.356 2.261 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccccc2)CCOCC1 1760248149 CAQSUOJUJHDTDY-FQEVSTJZSA-N 437.544 2.064 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)CC)CC1 1760257552 ZDVKKPXEBFJOQA-FQEVSTJZSA-N 429.590 2.010 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)cc2C)CC1 1760262750 ZADFJXQWZKYWHA-UHFFFAOYSA-N 429.572 2.442 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1760264085 AZLFGEDBBNTTMJ-UHFFFAOYSA-N 445.571 2.430 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1760288834 KNJCPUCHALFKAQ-VBKZILBWSA-N 437.516 2.401 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760316897 XZVXLODFMAMUDC-DENIHFKCSA-N 430.597 2.139 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760410986 YHCYCVMIJWDUSV-QFIPXVFZSA-N 438.536 2.152 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760425792 VVFAHPUQZZIDRK-OALUTQOASA-N 427.553 2.304 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C(N)=O)CC1 1760517712 WBHDAHBVQFQJHN-AWEZNQCLSA-N 442.589 2.135 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1760695071 AIDAHZKANREICP-FUHIMQAGSA-N 426.521 2.107 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)CN2CCOCC2)n1 1762433305 FWNNERRWBWJZHD-SFHVURJKSA-N 440.596 2.238 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1763298062 YYCVOAIYQKNWEP-UXHICEINSA-N 438.532 2.117 30 10 IEEE CCOc1ccc(CN2C[C@@H](C(=O)N3CCc4[nH]nc(C#N)c4C3)CC2=O)cc1OCC 1850419877 ULRJDAQRMMBWHV-INIZCTEOSA-N 437.500 2.012 30 10 IEEE N#Cc1ccc(C(=O)O[C@H](COc2ccccc2)CN2CCN(c3ncccn3)CC2)cn1 1851555778 WJWMJGCKHYYYFC-QFIPXVFZSA-N 444.495 2.170 30 10 IEEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCCCC2)C2(C)CCN(C)CC2)CC1 1853420819 OFUFMDFFJGXNSI-UHFFFAOYSA-N 440.610 2.089 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)C2=O)CC1 1857373048 IRCAVURZDCKGFV-HXUWFJFHSA-N 431.558 2.135 30 10 IEEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)CCN1C(=O)c2ccccc2C1=O 1861528233 DELDVJNQIMNQJZ-FXAWDEMLSA-N 443.544 2.111 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1C 1862410016 YGTWNFYKHUCVLG-IBGZPJMESA-N 443.452 2.297 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(=O)O)cc1 1862414920 LLOMSFQYOYLMOI-GOSISDBHSA-N 444.390 2.377 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862676891 UBFAYKIPVXTQMZ-SFHVURJKSA-N 426.400 2.238 30 10 IEEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(C)CC(=O)OCC 1868782369 HWFSSUQOLVIXSF-ZWKOTPCHSA-N 448.589 2.331 30 10 IEEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN(CCO)CCO)cc1=O 1870387244 VVBWDBWVOLSMFW-HSZRJFAPSA-N 441.572 2.037 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccn1C 1874238966 OKNVKIILPOJPMX-CIAFOILYSA-N 429.502 2.372 30 10 IEEE C=CCN(CC(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2009884238 BYCIDBYEHAMPGL-OAQYLSRUSA-N 441.525 2.380 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2011424205 FSAQWIGDCNMTQK-OAHLLOKOSA-N 440.541 2.062 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754334 MBABFUGXFWMHMY-WCEOPKCDSA-N 436.358 2.489 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)n1 2132685372 XQSHWGOLUKSPPI-UHFFFAOYSA-N 432.149 2.135 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141670055 KJIQZPOFOKFYMY-INIZCTEOSA-N 448.373 2.164 30 10 IEEE C=CCn1ncc(NC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162287907 KYHFRPSNOUCDFD-ZDUSSCGKSA-N 443.342 2.487 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243387538 WDQPJMYORREWRA-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C[C@H](NC(=O)CONC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2243673863 BLQXAHBIHIHAAD-NSHDSACASA-N 427.332 2.076 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248397203 IVUAFDFEBDIBEP-ZDUSSCGKSA-N 437.371 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]1(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248397445 KZCYACKBSFCSHK-HXUWFJFHSA-N 437.371 2.458 30 10 IEEE CO[C@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1NC(=O)OC(C)(C)C 2254798746 CYAFBZOBKHPIPA-GJZGRUSLSA-N 437.321 2.248 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255528620 CUIXFJRPGRVLEJ-KRWDZBQOSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2255628932 ORRKOECMYXAWAW-CQSZACIVSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)co2)OC1(C)C 2255815727 RXEUALKINKHARH-LJQANCHMSA-N 426.322 2.210 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267128114 NQYUVMXZCIDQHB-CABCVRRESA-N 448.373 2.189 30 10 IEEE Cc1c(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267191661 GFJCHBQIWWWTRM-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2267234725 ZGJFASBBONVNCU-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1 2267524616 SIOQQSZKMLASIR-LSDHHAIUSA-N 448.373 2.330 30 10 IEEE Cc1cnc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)c1 2267582413 ZJZWMPDUYWRBLC-HUUCEWRRSA-N 443.353 2.284 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267610405 ZXIUIMUQXCBCDY-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267800053 LQKWJCSEEXTMBU-IBGZPJMESA-N 441.333 2.341 30 10 IEEE Cc1ccc(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2268646324 YEDOEFCPMQMHPI-UHFFFAOYSA-N 446.353 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268651191 ABHUTIURFCOHCC-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268671061 JGSKXDBFXGEBLQ-SFHVURJKSA-N 446.353 2.368 30 10 IEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=NCC#N)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297470436 YTBSWTZLBNCNMW-DFVIMFIMSA-N 442.556 2.294 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)[nH]1 2315394033 MJXLJMSCVYMQJK-JOCHJYFZSA-N 433.358 2.207 30 10 IEEE COc1ccc(CCc2nnc(S)n2N=Cc2ccccc2S(=O)(=O)O)cc1OC 2322232005 BHNXTZSBHHOQRB-UHFFFAOYSA-N 448.526 2.498 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)C=Cc2cc(OC)ccc2OC)cc(C(=O)OC)c1 2325610793 CZLNHCJIDKZHOV-UHFFFAOYSA-N 427.409 2.498 30 10 IEEE C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C2=C1CN(CC(=O)NCc1ccccn1)C2=O 35969725 SOZUPJPDKKFQLP-JOCHJYFZSA-N 431.496 2.055 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 57830723 YFSKZNKJRUUUPQ-QZTJIDSGSA-N 443.548 2.137 30 10 IEEE Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccncc4)n(C[C@@H]4CCCO4)c3nc12 252666807 CIMGORAANATHHE-SFHVURJKSA-N 440.463 2.144 30 10 IEEE CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460228296 NDYHNPZEFKUBSP-OAHLLOKOSA-N 434.504 2.359 30 10 IEEE COc1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)n1 470557974 ZAASQNOOOAHNKE-UHFFFAOYSA-N 449.515 2.422 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 505155882 AHXDPEDLJLGUHK-WMZOPIPTSA-N 441.557 2.164 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 506868317 ZBASWDILCHWXMR-UHFFFAOYSA-N 444.444 2.411 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccccc1C#N 515444286 WOFCTNIIPLCYJH-UHFFFAOYSA-N 434.546 2.170 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 522509050 JCRWFCNXJOLPFU-HZPDHXFCSA-N 431.464 2.473 30 10 IEEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CCN(c2ccc(F)cn2)CC1 538166156 KNKGTSCWUSAXHO-UHFFFAOYSA-N 429.455 2.303 30 10 IEEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1C 543910987 JOBJNITZFIRXGI-UHFFFAOYSA-N 432.893 2.238 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 553289892 REVFPPNDJLNUCT-PKOBYXMFSA-N 441.551 2.115 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)c1C#N 564590160 IQORLAIKEMCUIZ-SJORKVTESA-N 430.578 2.336 30 10 IEEE C=CCOc1ccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)cc1-n1cnnn1 586268532 NIOOIWCTZVZGIX-UHFFFAOYSA-N 438.488 2.015 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)CC1 605354288 ITNGWVKYZSTRMY-QGZVFWFLSA-N 428.455 2.022 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 619742289 BCOPKSBUMJWRJE-UHFFFAOYSA-N 446.515 2.348 30 10 IEEE C=C(CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)c1ccccc1 685215791 LQESVVMWNXBRTJ-UHFFFAOYSA-N 443.569 2.465 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 727418551 SNOAUNKKCKBSOG-UHFFFAOYSA-N 433.533 2.256 30 10 IEEE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732664531 QIEYRNNKLCGPSS-GOSISDBHSA-N 440.525 2.308 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CCN1C1CC1 732664777 UUTBMCWTKMCEJW-CYBMUJFWSA-N 443.356 2.246 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2nc3ccc(C)cc3[nH]2)C1=O 744431329 GWICXFNRBWZDPI-UEAMBXKFSA-N 436.541 2.445 30 10 IEEE COc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C#N 746686185 YYPBASYGBJFZIM-UHFFFAOYSA-N 449.554 2.220 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CC1 750049497 APKNKJLVDQWLKZ-UHFFFAOYSA-N 430.468 2.102 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)c2cc(C#N)cn2C)ccc1C 751728547 FXQQEYWCLKJWMT-OAHLLOKOSA-N 446.529 2.420 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc3c(c2)CCC3)C1 760321145 RDEMHBJVDGQMCK-ROUUACIJSA-N 443.573 2.047 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCC(C)(C)C2)cn1 768417142 LGGSEHDMJQKRFB-SJORKVTESA-N 434.610 2.481 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 781937433 RFXIEFSWJDKALV-QCPHZMBFSA-N 438.406 2.315 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2CCN(CC#N)CC2)[C@@H]2CCCO[C@@H]2C1(C)C 783651113 OLZAUFZESDKRGZ-STSQHVNTSA-N 434.581 2.437 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)n1 788904157 HHCYVEQBYDLMKS-FQEVSTJZSA-N 439.560 2.095 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 796095349 GGBPUDMQOKZCQZ-LJQANCHMSA-N 432.567 2.384 30 10 IEEE CC(C)(C)C[C@@H](O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 805733181 HPUIRXLIJREQJE-HNNXBMFYSA-N 444.488 2.185 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 812177462 HEGKEBMOQZRLJT-GOSISDBHSA-N 448.568 2.268 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 815090487 QKJNVEYTRNCTBE-ROUUACIJSA-N 444.598 2.205 30 10 IEEE COC(=O)c1ccc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 916556191 CMNFCDXKYQQPOT-UHFFFAOYSA-N 443.525 2.389 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)[C@H]2COc3ccccc3C2)c(=O)n(-c2ccccc2)n1C 916960373 CGZOTKJNOYLWOZ-IEBWSBKVSA-N 430.464 2.383 30 10 IEEE C=CCNc1nc(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cs1 918954148 RKDFJMZYXFNRLR-UHFFFAOYSA-N 428.514 2.319 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N 1084018260 KTVOGAXKOCMMLW-CQSZACIVSA-N 425.518 2.416 30 10 IEEE N#CCOc1cc(F)ccc1NC(=O)Cn1nc(Br)c(Br)n1 1137505613 PUBVRYIHRXTNFJ-UHFFFAOYSA-N 433.035 2.483 30 10 IEEE Cc1ccc(C(=O)NCC2CCN(CCN(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1144220404 NHNLWWNHNILVPR-UHFFFAOYSA-N 429.414 2.298 30 10 IEEE C[C@](O)(Cn1ccccc1=O)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807781 TZNQYJKSHPMCIO-KWBADKCTSA-N 448.310 2.229 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)CCC(C)C)nnc12 1161645696 DLJDXHOITGBCPQ-HNNXBMFYSA-N 429.546 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(C#N)c3ccsc23)[C@@H]2CS(=O)(=O)C[C@@H]21 1164276311 KLKIMQQPYZUJMI-CABCVRRESA-N 434.543 2.391 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)[C@H]1CCS(=O)(=O)C1 1188283043 RXPSEJRIQDEIHP-ZDUSSCGKSA-N 425.507 2.278 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)C1 1248675208 FBVYWIGCUFYBDE-INIZCTEOSA-N 431.338 2.269 30 10 IEEE C=CCN(C(=O)CCc1cnn(C)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307820 ORGOZQSXWWUWSU-UHFFFAOYSA-N 431.543 2.494 30 10 IEEE CNC(=O)[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 1277215606 RFSRDYWHNSUYME-RXVVDRJESA-N 438.503 2.396 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1csc(COC)n1 1286303612 QZVRMIKYKZHBEG-CYBMUJFWSA-N 430.559 2.379 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(COC(C)(C)C)on1 1286398320 WDDCKGXMRRQDKP-UHFFFAOYSA-N 447.499 2.350 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCn1cncn1 1286404345 QLHXFZLHQKXDCX-UHFFFAOYSA-N 428.269 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1286429024 QHLNAXYIYDEPKQ-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COC 1286457707 CUWVERMSLLHFEE-FUHWJXTLSA-N 434.537 2.242 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)c(F)c2)CC1 1286482506 UDRDNLKFGCKOKK-UHFFFAOYSA-N 434.519 2.410 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)cc1 1286495987 KKOMTCGUHIIJPT-AWEZNQCLSA-N 425.555 2.030 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1286528647 JKYCOBUVFPJQQI-OAQYLSRUSA-N 444.557 2.435 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286556491 CNMZXQBJSOMKDW-UGKGYDQZSA-N 432.613 2.104 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1286726880 JVXAVYYXTLZZAM-SFHVURJKSA-N 434.562 2.184 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286783911 PXLWGHCMUQSEOR-MRXNPFEDSA-N 445.955 2.038 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 1286794087 WCJFMZBIVLBANY-SJORKVTESA-N 448.568 2.268 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1294068123 OXIDLLIIHJIBLA-BSBNDGSWSA-N 440.504 2.378 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCNC(=O)OC(C)(C)C)CCOC1 1296527970 WLMGEYZHKYMGNP-IERDGZPVSA-N 436.557 2.441 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC[C@@H](C)C1 1297270036 BTKMXBNQOMXQNE-AEFFLSMTSA-N 426.569 2.491 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nc(C)c(C)s2)CC1 1300685478 OXQZVPPFKIOCNM-JOCHJYFZSA-N 444.605 2.196 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1300691373 WKJKCWCREFJZCB-QGZVFWFLSA-N 447.486 2.142 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300755151 MOHGICOZYARDLZ-CYBMUJFWSA-N 426.468 2.144 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1300755221 ORTBWYLWRPWJHV-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=C(C)COCCn1c(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)nnc1C(C)(C)C 1301001137 CTMJRHWVPUVYPB-KRWDZBQOSA-N 439.568 2.321 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1301239025 KGRMQWCOEMIQJD-UHFFFAOYSA-N 441.458 2.245 30 10 IEEE CCOC(=O)CON=C(C(=O)N1Cc2ccc(C)c(Br)c2C1)c1cc[nH]n1 1301354330 MSMBUWDGEKOUHC-UHFFFAOYSA-N 435.278 2.307 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1301524948 FEOUABWWSPUQOV-FUHWJXTLSA-N 429.546 2.389 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCCO[C@H](C)C1 1302244159 VFJWIDVRYJUWRT-ZRNYENFQSA-N 434.585 2.099 30 10 IEEE N#CC1(CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)CCOCC1 1305274311 IMWNXKYMPIYXHR-UHFFFAOYSA-N 429.336 2.440 30 10 IEEE CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1305284723 GBOBIZJMBFEIHL-KRWDZBQOSA-N 438.598 2.177 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](Nc1ncc(Br)cc1C#N)CCS2(=O)=O 1307227901 MRYHGRBZLPZTNS-RYCVTPFZSA-N 428.308 2.027 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n(-c2cccc(F)c2)c1C 1308058933 XZUMLXCIPXODAW-DLBZAZTESA-N 444.532 2.410 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1316297930 RGGROPSEXHYHFT-YZLZLFLDSA-N 445.495 2.337 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1358942227 NLZKBNVMWSPRCS-UHFFFAOYSA-N 432.322 2.059 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961804 FLNCYCOQOGOPNL-PMACEKPBSA-N 445.564 2.224 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964380 YGDPVRLYWCKNOT-VQTJNVASSA-N 435.638 2.225 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)=O)C1 1359063625 ZGSFBWRHIUCLDZ-WZONZLPQSA-N 428.581 2.447 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COC)CC1 1359086451 XBZQYYDBNRLDBD-UHFFFAOYSA-N 440.367 2.134 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1359240082 FPWAFZDHIBAOJR-PKOBYXMFSA-N 449.577 2.009 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1359263910 PPYHZEQPXXGYEW-INIZCTEOSA-N 437.591 2.072 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359299870 OSXAMLJMMZCIRB-HXUWFJFHSA-N 438.576 2.418 30 10 IEEE C=CC[C@@]1(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)CCCN1C(=O)OC(C)(C)C 1454842443 DZRJIXWORLVZGJ-QFIPXVFZSA-N 441.536 2.367 30 10 IEEE C[C@H](CC(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1455868418 AIOKSDVSZHLVSS-KDOFPFPSSA-N 440.525 2.484 30 10 IEEE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1cc(C)cc(C#N)c1=O 1459132081 RZPBSKSMRVWYIO-UHFFFAOYSA-N 440.500 2.301 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1463927275 RYOMDIRJDBJPOK-LPHOPBHVSA-N 428.576 2.121 30 10 IEEE C[C@H](O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCc1ccccc1 1468335328 QSDOTNVZZDCJRF-UWJYYQICSA-N 444.528 2.246 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nccc(C(F)F)n1 1493168163 BPEGQDMBSAJKCH-CYBMUJFWSA-N 438.442 2.260 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1504930383 GODQYSCMJNKFSC-WMZOPIPTSA-N 449.515 2.221 30 10 IEEE CSCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505238383 LXTVLFJETIQFNS-SFHVURJKSA-N 431.610 2.224 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCO[C@H]2CCOC2)CCO1 1505322320 LUWFPQFFNYAOHX-JKSUJKDBSA-N 433.459 2.071 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1507730263 PXQGHGHWZYFECP-UHFFFAOYSA-N 436.604 2.112 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1507744677 VDDNYNIDSBKYJM-KRWDZBQOSA-N 448.637 2.160 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507800565 OBMRSUCNUFSBPY-SCTDSRPQSA-N 446.577 2.120 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2CC)CC1 1507884388 HPAUWIATANGIQD-INIZCTEOSA-N 432.594 2.243 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1507892094 KMRBEIACQFQNQB-UHFFFAOYSA-N 437.504 2.175 30 10 IEEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507917446 OZSJIKDOPIAKPB-KRWDZBQOSA-N 425.599 2.074 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1507970591 BXFGZUQQTRCKQX-LJQANCHMSA-N 438.532 2.302 30 10 IEEE Cc1nccn1CCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1511607387 GTOAUMONIPSZMG-DENIHFKCSA-N 443.552 2.033 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(CC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1511936388 BFTSQHGICOCEDP-VXPUYCOJSA-N 427.509 2.244 30 10 IEEE CCc1cnc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1513718534 BBFWQXNFMJHYON-FOIQADDNSA-N 432.550 2.115 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCC2)CC1 1516760896 ZRDJWCSUPZHWLD-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@H]2C[C@H](F)C2)c1 1521076453 ZDZHWEWUXRTDBQ-RZDIXWSQSA-N 426.496 2.426 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(C#N)s1)n2C 1529399217 YXHFXHXELUKYTM-UHFFFAOYSA-N 431.543 2.006 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1538889964 HMESLJHGGOKOCB-WIYYLYMNSA-N 433.574 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(C)COCCO1 1539422480 DCFJXZQNVQGZAM-QHCPKHFHSA-N 428.533 2.365 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2)CC1 1539431510 URXOFMJJCDQACN-RDPSFJRHSA-N 439.560 2.153 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)noc2C)CC1 1539434147 AKWOXUSZGFLRQR-UHFFFAOYSA-N 444.337 2.444 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)NCCC)CC1 1539434190 CBUOLMROJWLMTB-UHFFFAOYSA-N 446.559 2.007 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1539469671 UBICACQYSZTFFG-HFJQGTKSSA-N 429.565 2.096 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1540033212 AYRAEZBYELZURY-NRFANRHFSA-N 449.559 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1540901721 NCVZLXLZKJIDBG-UHFFFAOYSA-N 449.602 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccs2)C1 1541223343 QTQZMFRMAFAJAU-ZNMIVQPWSA-N 445.549 2.282 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCCCC2)CCOC1 1541733012 KGIHIFQZEJCBEK-WMZHIEFXSA-N 446.596 2.312 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CCCO1 1544747308 HFTKGUOTZLCNHF-MRXNPFEDSA-N 429.546 2.399 30 10 IEEE C[C@@H](C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1556163117 PZSQFZPJWGJDOL-DNVCBOLYSA-N 441.532 2.439 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 1557181827 IAOSNQSZAHPVJH-MPGHIAIKSA-N 435.546 2.051 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C1 1557239301 BIXTVIALTMQZJP-XODKDNOYSA-N 427.574 2.321 30 10 IEEE CC1(C)OB(C2CCN(C(=O)[C@](C)(O)CN3Cc4ccccc4C3=O)CC2)OC1(C)C 1558165902 WECSVNLEEPRHSI-HSZRJFAPSA-N 428.338 2.478 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1559843487 FTTBDOXATOYFHZ-CFJPQMKISA-N 425.938 2.315 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 1562198033 ZSCAXSFFANXVRV-MOPGFXCFSA-N 437.562 2.325 30 10 IEEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1583296010 URWNAGHGTFLJND-UHFFFAOYSA-N 430.896 2.145 30 10 IEEE COC(=O)c1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n(C)c1C 1583407399 WIMLTUVUBWBHJW-AWEZNQCLSA-N 428.876 2.315 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1585925307 RGPYYQIXSZIAPH-KSFYIVLOSA-N 426.473 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1587561789 IOSVSMDGPRCBED-LSDHHAIUSA-N 425.468 2.226 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCC[C@@H]2C)c1 1587689608 NDOFOHOUPORFKA-SFHVURJKSA-N 446.559 2.219 30 10 IEEE C#CCCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1587792902 DCCYBPSLAVHQGC-MSYCTHLASA-N 429.565 2.085 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCc2ccccc2C1 1587904586 KKWLXERMYVQARH-GOSISDBHSA-N 429.528 2.442 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1587989735 OAHSGPCBCSPGCW-PMACEKPBSA-N 427.574 2.087 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1588045285 IWQJCCUVQSDYSG-PGRDOPGGSA-N 430.574 2.431 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1588058810 CWVAEJUZHINOEU-FOIQADDNSA-N 434.587 2.017 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(C)c2C)CC1 1588913153 AEUJTZGVEHCTFS-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(OC)C1 1589567874 GMURGQFOSNBIEN-CRAIPNDOSA-N 431.562 2.476 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)cc1F 1595569301 DNYAGMKCYKWSIT-UHFFFAOYSA-N 429.475 2.357 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1595602274 ITTDBEPBBDJSDS-HTAPYJJXSA-N 435.569 2.016 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1595871087 FORIPRXVTITFAS-CQSZACIVSA-N 439.545 2.180 30 10 IEEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(Cl)c1OCC(C)C 1611159667 MRGYORLYLTUOTM-LIRRHRJNSA-N 426.922 2.394 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCNC(=O)C1CCC1 1615093256 DTXOFSMYCNWHMM-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1619878241 FOICYNASRUREAP-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccc(C#N)c(Br)c2)C1=O 1624714224 LAXNJYHUMQHMRE-IBGZPJMESA-N 443.257 2.198 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCc1ccc(OCC#N)cc1 1626725553 CLURBVVSYZECGP-ZFVVBOAOSA-N 435.402 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1628900682 JWXQDQNWXFTFAL-CVDCTZTESA-N 446.523 2.297 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 1630132631 IYVRRPZXZNRBJV-IBGZPJMESA-N 429.565 2.146 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)Cc4cccc(C#N)c4)C3)[C@@H]2C1 1632912211 KFROLXRRHJVFCB-OTWHNJEPSA-N 440.500 2.142 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@](C)(C(F)F)C1 1633531241 IJTUBUHGUVLNSI-IFXJQAMLSA-N 429.489 2.167 30 10 IEEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1639175173 LRMDJVRLZSSMLV-WJPUGNRLSA-N 439.578 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1639340990 LWZDRIKCKRZRDW-MRXNPFEDSA-N 432.496 2.012 30 10 IEEE CN(C)CCN(Cc1ccsc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1642380442 MYOSDJMLVSVWQN-LJQANCHMSA-N 439.541 2.415 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 1644438011 MQRSKSNXZNROEZ-GFCCVEGCSA-N 442.182 2.432 30 10 IEEE COc1cnc(C(C)(C)NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)nc1O 1652476324 CSGANKXTQFWARB-UHFFFAOYSA-N 427.310 2.464 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(=O)OC(C)(C)C 1654151632 GRRDRQNKRVXYSV-UHFFFAOYSA-N 449.573 2.077 30 10 IEEE CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1659363172 FJFAZZXHQDBDQN-SFHVURJKSA-N 430.530 2.133 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 1671751470 ZAXMHYAPCSFXGZ-UHFFFAOYSA-N 443.363 2.344 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1680495742 ZRLAFDHUUXHZAB-LPHOPBHVSA-N 431.500 2.338 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)c1ccc(Br)cc1 1683681789 VUMWBOGYUOAETB-CRAIPNDOSA-N 435.366 2.365 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)OC)c1 1689873413 HTQHZIUZCIRUHE-MMOPVJDHSA-N 441.532 2.093 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)c1ccco1 1689948763 FPVBPIRFSUIEBP-NRFANRHFSA-N 442.545 2.117 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689950901 FXDAYAQEQQLVGF-GOSISDBHSA-N 447.503 2.423 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H](C)N1CCN(CC)CC1 1690192687 CGZUANHQAJTQCM-SXWKCWPCSA-N 432.613 2.020 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1690436533 VRQGNEGAANTGDV-UHFFFAOYSA-N 438.623 2.318 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690439710 MWXSGZLFJBWKHV-HXUWFJFHSA-N 426.583 2.156 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(N)=O)C1 1690460561 KJVXAOKYNUIXBU-INIZCTEOSA-N 445.593 2.296 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690473846 JBKDCXQEIHHRJM-INIZCTEOSA-N 431.562 2.407 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1690508580 LKDPGTOZDLYNNG-VQIMIIECSA-N 426.608 2.106 30 10 IEEE C=CCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1690653075 AWHSILACOLJIQK-VIZSFHNOSA-N 432.613 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2C[C@H]1CO2 1690729104 GNHBMJJDXPCDHP-OALUTQOASA-N 446.573 2.388 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)C1 1690903982 CMCOZDUFBKVAOQ-WMZHIEFXSA-N 434.500 2.422 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1690993547 MLKXWTUTNRELDK-MSOLQXFVSA-N 435.532 2.163 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCSCCCO 1692210770 NJTDECPIWIJQHZ-UHFFFAOYSA-N 429.594 2.185 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695388196 HKUDPUGOJUEOLV-LJQANCHMSA-N 439.612 2.345 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1 1696838810 GNVJIOKZNKHAQR-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE COc1cccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1697544931 YLULSLLAMGGFLL-SJORKVTESA-N 447.561 2.254 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1698403422 GZNAZWHIBVNUMR-STGLLQLASA-N 429.550 2.377 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1705491553 DYXQIRDVQPQGQO-IAGOWNOFSA-N 428.558 2.379 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1705495617 SFLOJIWFNBCEJC-JBACZVJFSA-N 441.601 2.303 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705517181 QCBCQBGAKHBCSB-RBUKOAKNSA-N 445.593 2.034 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705538781 ZZUWAWHXNPBXKN-SFHVURJKSA-N 437.552 2.128 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(Cl)c1 1705589685 UYVRNZCOYPUOLL-AWEZNQCLSA-N 437.928 2.192 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705652806 OBZZFFMUMMVRAA-KGLIPLIRSA-N 431.484 2.037 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705660675 BYLGDCBNECGOQX-MOPGFXCFSA-N 425.558 2.478 30 10 IEEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNS(C)(=O)=O)CC1 1705764395 XNCUCMOYURJEPD-UHFFFAOYSA-N 427.534 2.041 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705860025 MMKZMNSGJZZSDZ-QFIPXVFZSA-N 441.557 2.159 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705895190 XDJFSNVALOBXLD-TZMCWYRMSA-N 430.475 2.133 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705897605 POJZRFNLWQNPAI-YSIASYRMSA-N 427.549 2.362 30 10 IEEE CCN(CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C#N)cc1)S(C)(=O)=O 1710143153 BYHCFFJWHWEUJY-LJQANCHMSA-N 446.577 2.309 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nncn2C)cc1 1710537295 BPNBASNUERIMJD-VFNWGFHPSA-N 440.483 2.436 30 10 IEEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1711226617 GOMOPMCTLVQNPY-DMEQXSTQSA-N 446.552 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1722281254 ICDBRLRHFHDRRK-WBVHZDCISA-N 432.546 2.388 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncc(CC)s1 1722419286 WGZLEXCRUPEJIJ-UHFFFAOYSA-N 425.518 2.079 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)CC1 1722437444 TXVQWRWCTCBSGE-INIZCTEOSA-N 449.481 2.326 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CC(N)=O)C1 1722453916 DCFHUVDOAAUURD-MRXNPFEDSA-N 441.557 2.175 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC(C)C)C1 1722462590 OLKBLMPXGDASHP-LJQANCHMSA-N 432.594 2.136 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722533786 AUKUUWUWPKHSPU-IBGZPJMESA-N 433.578 2.260 30 10 IEEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1722577103 XDMKKQWPVQXDJB-UHFFFAOYSA-N 445.527 2.006 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC=C)C1CC1 1722697854 RQQVKQZIMQUYOS-UHFFFAOYSA-N 433.516 2.132 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722743482 ZSHWKOOITQIXHN-HKUYNNGSSA-N 438.557 2.363 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1723572760 CLYCTYQWWIYNRJ-UHFFFAOYSA-N 433.520 2.380 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1723769606 LRBBYYFTLALCBP-MSOLQXFVSA-N 435.532 2.306 30 10 IEEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1726744252 NRENKHZFALPBEM-YOEHRIQHSA-N 447.465 2.168 30 10 IEEE CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@H]1CC 1729170010 CEAJFONABVZSDT-QZTJIDSGSA-N 428.537 2.232 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1730762814 MUTJVAFNHZSLJH-OALUTQOASA-N 438.532 2.202 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1740570043 AEUCLFJJLXQSOQ-QGZVFWFLSA-N 447.543 2.145 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](OC)C2CC2)CC1 1740700598 WWHXRSYGGVFVIL-OAQYLSRUSA-N 425.533 2.046 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740704402 OVWAMGORJNATDI-FQEVSTJZSA-N 449.603 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)C(C)(C)C)CC1 1740705342 FWWVHXHFQMVCSX-UHFFFAOYSA-N 428.581 2.064 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSCC)CC1 1740840018 RLQDYUPXSWJUNI-QGZVFWFLSA-N 443.639 2.157 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740880561 ILBSSVFBWHRDQD-UHFFFAOYSA-N 431.459 2.357 30 10 IEEE C=CCn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1740950235 XZRYBVUZLNXZFT-NOXFTYBFSA-N 443.596 2.369 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1741869128 VFCYCRNEXQUYPT-GOSISDBHSA-N 444.605 2.420 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1743857077 BGKIBCUZOVVYEM-QGZVFWFLSA-N 425.537 2.435 30 10 IEEE COC(OC)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c1 1748455377 DLRQOFWZJLVJAT-UHFFFAOYSA-N 426.521 2.496 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1748667520 VTHXNXGEFBYMEY-HKUYNNGSSA-N 428.581 2.111 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1748750919 RKNCQCBMIUGOQT-FQEVSTJZSA-N 442.608 2.156 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1748820421 BHGSWPOZZRONEB-OAQYLSRUSA-N 442.585 2.442 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2cccnc2)CC1 1748995144 YMZQOWKPPPDDDN-UHFFFAOYSA-N 430.556 2.465 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccccc2OC)CC1 1749001493 UAQIAJVAKBCBKZ-UNMCSNQZSA-N 439.560 2.009 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCOC2)C1 1749083582 IQYQDMGBQTYDNQ-GOSISDBHSA-N 442.358 2.101 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1749488122 VFPJIZSGMXMQJA-CQSZACIVSA-N 442.511 2.396 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)n1 1751634558 IEFZFGVJUIQEGN-SFHVURJKSA-N 445.527 2.342 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H](C)S1 1752321365 NRQFNMHSIFWABG-IYBDPMFKSA-N 449.602 2.208 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cnnn1 1760102753 PTTHWEGHQGXPPG-CYBMUJFWSA-N 445.325 2.251 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCOCC1 1760119643 BXVMBYUTBBVTLE-FQEVSTJZSA-N 447.587 2.478 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760143703 PEMUJZUAZJYZRV-GREBRCKQSA-N 442.564 2.291 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760156098 UTOCIYXVYHJKJI-UHFFFAOYSA-N 432.488 2.307 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185794 DSUGCODLMYOYJA-DENIHFKCSA-N 436.622 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N(C)C)CC1 1760267209 VJFRHSAVXWEPDE-UHFFFAOYSA-N 442.951 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1760273503 WRWDCRFLZMOBFX-TZIWHRDSSA-N 442.608 2.216 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760331699 LMRJSUSLOZFGAT-QFIPXVFZSA-N 441.557 2.445 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760351117 CMZQILBLXNXGNE-MSOLQXFVSA-N 425.537 2.191 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760520643 VKECKWODCYAJRY-LJQANCHMSA-N 442.470 2.442 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1760521825 FAJDZLZTYDJCHO-MRXNPFEDSA-N 445.951 2.226 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)cc1 1760530410 UAQAWUJMWGAEBH-UHFFFAOYSA-N 435.532 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)CC)CC1 1760556133 VPWMUIZRHZCLOB-SFHVURJKSA-N 439.626 2.084 30 10 IEEE CC(C)N(C)CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1761171880 HHUYRIXSVVFVGH-QGZVFWFLSA-N 425.585 2.293 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)n1 1762415245 CXCAQCBWGYAFRB-NRFANRHFSA-N 435.532 2.453 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)OC 1762426526 YGMSSYFCCTYNIJ-VGSWGCGISA-N 440.504 2.185 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1765657179 SNLVHHWPEOGARZ-UHFFFAOYSA-N 435.488 2.318 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1csc(C)n1 1766400465 FBEQXZZISVDHJF-UHFFFAOYSA-N 438.561 2.416 30 10 IEEE CCN1CCN(CCCn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C#N)C2)CC1 1767156354 COFPBFJXKHEVHE-GOSISDBHSA-N 443.983 2.355 30 10 IEEE CN(C)c1cccnc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1768499891 OUJZMKIDCSBZES-QGZVFWFLSA-N 434.460 2.091 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1768659617 GTALYJJIHPAVPU-KRWDZBQOSA-N 439.520 2.262 30 10 IEEE COC[C@@H](F)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1769286076 WWGYYTOXPZHVKD-INIZCTEOSA-N 426.452 2.498 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCCCCCO)c1 1770745615 AXZZDMGDPXMFIJ-JOCHJYFZSA-N 443.573 2.384 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCOC(F)F)cc1 1771535170 ZDZAIUHQSBIUFG-WBVHZDCISA-N 446.458 2.073 30 10 IEEE Cc1c(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)nnn1Cc1ccc(F)cc1 1852294058 BKLFEOCVZSSRTP-UHFFFAOYSA-N 438.507 2.388 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 1852451427 DRUYFGFGIMJQDM-RTWAWAEBSA-N 438.528 2.012 30 10 IEEE COc1cc2c(cc1OC)CN(CCCNC(=O)Cc1cc3c(cc1C#N)OCO3)CC2 1852778101 AMUJQBPNOHAJNM-UHFFFAOYSA-N 437.496 2.411 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(SC)cc2)C1)[C@H]1CCN(C)C1=O 1857240346 NEZJPWQGNZEPGZ-ICSRJNTNSA-N 429.586 2.435 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4cccc(C#N)c4)C3)ccc21 1858415937 HUQPNUCHHGBZMY-GOSISDBHSA-N 438.509 2.117 30 10 IEEE Cc1ccc(S(=O)(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)cc1 1860889591 UKAJKSFPSVACFL-UHFFFAOYSA-N 438.469 2.129 30 10 IEEE CN1CCCc2cc([C@H]3C(C(=O)c4ccc5c(c4)OCO5)=C(O)C(=O)N3CCO)ccc21 1862632568 RKLNQAGWHMOTGI-NRFANRHFSA-N 436.464 2.368 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(=O)O)cc1 1862757897 RXAODVSWPBXITI-APPDUMDISA-N 426.381 2.252 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccncc1 1874239143 RFVYKNGYDJQWDL-WSDLNYQXSA-N 427.486 2.428 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)cc1 1874306497 AGSTUXXFJZWPIA-FSJBWODESA-N 441.513 2.246 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 1889338261 VWWOKPKWVPTUHV-UHFFFAOYSA-N 434.378 2.321 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC(C)(C)S(C)(=O)=O 1901324132 RUKXZSFUCUKCPE-RTBURBONSA-N 438.590 2.199 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)C1 1910281335 VOLQXVSGDWXCJT-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](O)c1nn(C)cc1I 1983836449 KACDMWXJHMFQIZ-DOTOQJQBSA-N 427.286 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)O 2010520534 ZQDIYMNVWLMHPL-FDDCHVKYSA-N 430.549 2.277 30 10 IEEE C=CC1(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 2019465880 GKZNHPYXMDPLOH-JLCFBVMHSA-N 439.553 2.332 30 10 IEEE C=CCC1(NC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)CN(C(=O)OC(C)(C)C)C1 2022891772 UXDBMDVKBZRVRO-UHFFFAOYSA-N 439.553 2.334 30 10 IEEE Cc1ncnc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2116145219 KSUMJKIDJMZMQH-WOJBJXKFSA-N 436.365 2.174 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(Br)c(C#N)c1 2141248067 NFMUXPFUQWRFBR-CYBMUJFWSA-N 425.283 2.418 30 10 IEEE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCO)cs1 2177660545 NDVZVMNPOZJRMP-HNNXBMFYSA-N 446.550 2.149 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)c(N)c1 2207137445 PZJZYSMOZXCEPV-IPFXWSOASA-N 426.498 2.266 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)C#Cc1ccccc1Br)C1CS(=O)(=O)C1 2227490788 LDSVDMZHHAFBSB-INIZCTEOSA-N 442.331 2.308 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247774140 TTWKTSTWCRVNEE-IMRBUKKESA-N 435.355 2.037 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254743073 BJQBFFZPYVVFJI-QGZVFWFLSA-N 433.358 2.311 30 10 IEEE Cn1ncc(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255542309 PSJVTMKFPBQSDO-UHFFFAOYSA-N 436.362 2.000 30 10 IEEE Cc1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255607353 YIGHYYOXYJBBRG-GASCZTMLSA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC1 2255626438 GGLGEBRBDMKIHV-OAQYLSRUSA-N 434.346 2.132 30 10 IEEE CC(C)[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255651978 NUCQCNAVCGNXLS-HNNXBMFYSA-N 434.346 2.055 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)C(C)(C)CO)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832738 QMPCMKXFMUHXTO-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256884131 DZXLMICUSCXSPF-CZUORRHYSA-N 437.321 2.160 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)CC1 2266059161 HEVGFKRITGMQCN-UHFFFAOYSA-N 446.357 2.048 30 10 IEEE Cc1c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997394 UGMAHLRHDPJZLT-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267110216 ARVYKLSPMGFWGA-HZPDHXFCSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2267144031 QOXYYOWXJOOXKQ-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE CC1(C)OB(C2(C(=O)N3CCO[C@]4(CCCN(C(=O)C(F)(F)F)C4)C3)CC2)OC1(C)C 2267183296 MGJNWJVALIGRBN-SFHVURJKSA-N 446.275 2.395 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267502686 RIJBLGPSYWYCMU-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268710878 JNBMGOUHPMAAFF-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271393051 HDXVUQDRQNQYAH-GOEBONIOSA-N 448.373 2.237 30 10 IEEE O=C(C(=CN1CCOCC1)c1nnnn1-c1ccc(Br)cc1)C(F)(F)F 2297534689 LCJJZCLQTZFCBV-UHFFFAOYSA-N 432.200 2.229 30 10 IEEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2302960974 SLUGSOXTEPJRNQ-UXHICEINSA-N 449.617 2.180 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccn1C 2330721878 LBKUVLMRFDNSTE-UHFFFAOYSA-N 429.481 2.005 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(Cc3ccccc3)CC2)n1C 2337276015 BRUUQTSFBPHMIP-UHFFFAOYSA-N 438.381 2.376 30 10 IEEE C[C@@H](NC(=O)CSc1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)n1N)c1ccccc1 20292073 OQZRJDOLXBMNJV-SRRANQMSSA-N 440.489 2.316 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)c(OC)c1 58994157 NIUVKPJYRDRFMK-AWQFTUOYSA-N 444.473 2.410 30 10 IEEE COC(=O)/C(C(C)=O)=C1/N=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 103741276 WXIAPMVGZLNEON-VHEBQXMUSA-N 438.436 2.376 30 10 IEEE N#CC(CCN1CCN(CC(=O)N2CCOCC2)CC1)(c1ccccc1)c1ccccc1 216717056 ALABKHXPKSOBMP-UHFFFAOYSA-N 432.568 2.363 30 10 IEEE CS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CCNC(=O)C[C@@H]1c1ccccc1 257182480 GORKUXCEZZUWTL-JOCHJYFZSA-N 440.569 2.273 30 10 IEEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434840028 IEXWRYPGCPVJAO-UHFFFAOYSA-N 435.528 2.275 30 10 IEEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)n[nH]1 440743558 ABEPUNCNNWZAPL-UHFFFAOYSA-N 445.483 2.060 30 10 IEEE N#CC1CCC(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 443226975 OEYOJFIFKVYSME-UHFFFAOYSA-N 428.308 2.388 30 10 IEEE CNS(=O)(=O)c1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 444849763 NKOZUIKCEVUUKB-UHFFFAOYSA-N 433.921 2.474 30 10 IEEE CCOC(=O)c1nnc(SCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)s1 447332303 UQYXMYSGCSFRLR-HNNXBMFYSA-N 449.533 2.355 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 460934052 YVSRQFXIAYMELR-IEBWSBKVSA-N 444.605 2.444 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCOCC2)c2ccccc21 481443402 XZXPIACIADMVMD-INIZCTEOSA-N 425.510 2.320 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2=O)cc1 487172523 SMUIGYVAVJUPLR-IEBWSBKVSA-N 438.919 2.286 30 10 IEEE CCC1(CC)CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCS1(=O)=O 494551195 YVSVNSADBHXEIF-UHFFFAOYSA-N 435.365 2.299 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 502658673 NITMIVKUARKHHY-SJORKVTESA-N 437.363 2.079 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=C)C)CC1 519113459 JFCVTJMFORUWFZ-UHFFFAOYSA-N 433.560 2.351 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCCO2)c1=O 536085849 JVESUHDKCDALRH-HNNXBMFYSA-N 444.578 2.421 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCc3nc(Cc4ccc5c(c4)OCO5)no3)C2=O)cc1 544986839 DDLRFBKFPGOFJA-INIZCTEOSA-N 431.408 2.318 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4cnccn4)CC3)n2C[C@@H]2CCCO2)cc1 555380426 FTCUWPXFRPFSLZ-FQEVSTJZSA-N 446.515 2.024 30 10 IEEE COc1cc2c(cc1OC)[C@H](CC(=O)O)N(S(=O)(=O)c1ccc(F)c(C#N)c1)CC2 560330009 YYSVXGVBUXBKLT-KRWDZBQOSA-N 434.445 2.477 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CNc2ccc(OCC)c(-n3cnnn3)c2)nc1C 586263787 HKAIDSTVYBCDMA-UHFFFAOYSA-N 443.489 2.219 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccc3)c2=O)cc1F 608827861 AUGBWXZDBJZEIX-UHFFFAOYSA-N 449.507 2.172 30 10 IEEE C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 610615235 UXFCNOLBCBMRKR-MRXNPFEDSA-N 441.557 2.092 30 10 IEEE Cc1nc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(=O)NCCO)n1C 618919771 QOLKHOASLYMIKG-UHFFFAOYSA-N 433.468 2.154 30 10 IEEE C=CCn1ncc(NC[C@H]2CN(C)CCN2Cc2ccccc2)c(Br)c1=O 694742906 AWOWDASEZDXKNS-KRWDZBQOSA-N 432.366 2.420 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cc(C)on1 730138284 KMALLEBVHFIGLH-GOSISDBHSA-N 445.545 2.191 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccsc2)C1=O 730143904 FIDPQMILIXCAQG-YQMDHOPXSA-N 445.614 2.254 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(c3nccc(OC)n3)CC2)ccc1OC 733655925 FIKGPQNVKFLWOY-QGZVFWFLSA-N 440.504 2.207 30 10 IEEE COC(=O)[C@@H](OC(=O)CCCNS(=O)(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 740225272 JLJUPQMEZJIVAL-FQEVSTJZSA-N 430.482 2.383 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(N)cc(Cl)c3Cl)CC2)o1 747026074 YVDFFSIJMKAVDM-UHFFFAOYSA-N 438.271 2.249 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCOc2ncccc2F)c1 747248168 HDWCEYMKPVESGN-JJIBRWJFSA-N 435.481 2.234 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)OC)c1 749623025 VHNPYMJBVVDRMZ-KRWDZBQOSA-N 428.510 2.050 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@H]1CCCO1 761836750 REKSWLBOJHSIFF-CQSZACIVSA-N 429.567 2.151 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 763876556 URUILIGSTGMEPT-NSHDSACASA-N 447.282 2.029 30 10 IEEE N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)N1CCS(=O)(=O)CC1 763976775 GBNMOOPILVKRMT-HXUWFJFHSA-N 435.505 2.269 30 10 IEEE COc1ccc(S(=O)(=O)Oc2cccc(F)c2C#N)c(NS(=O)(=O)C(F)F)c1 769667038 MCUQJKQHCNWHPK-UHFFFAOYSA-N 436.389 2.438 30 10 IEEE C[C@H](COc1cccc(C#N)c1)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 777319880 VWTZTVGHMXANQD-CRAIPNDOSA-N 431.489 2.384 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)NS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1OC 777350263 HEMPWUQCQCOLLD-SDQBBNPISA-N 430.482 2.138 30 10 IEEE COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780934199 IDFYYZOWWWCOGX-GOSISDBHSA-N 446.301 2.299 30 10 IEEE C[C@@H]1NC(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)=NN(c2ccccc2)C1=O 783865222 BEGOZNYVBUHJRE-DMKPSLHHSA-N 432.484 2.098 30 10 IEEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Br)cc1 784124732 BASWHQREROUKEQ-OAHLLOKOSA-N 437.363 2.082 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)n1 788368947 CIXZVOAENYISQI-LJQANCHMSA-N 435.937 2.104 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](O)c2ccc(C#N)cc2)C1=O 789887806 DYDCHSQWIHSVFW-QHAWAJNXSA-N 449.507 2.392 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 793003891 GTPJGVSWOSHBCZ-UWZWCOGJSA-N 446.813 2.218 30 10 IEEE CC(C)C(CS(=O)(=O)N(C)C)=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1 794908911 NKGYFYUQZCAJJK-UHFFFAOYSA-N 430.456 2.295 30 10 IEEE COCCn1cc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)cn1 799859554 SVWIMARCEYZVSN-SFHVURJKSA-N 445.520 2.469 30 10 IEEE CC[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F)OC 809941870 LHQFYPFXBDGHAB-RHSMWYFYSA-N 442.532 2.389 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1135983641 YEQXMUMHVRXSOD-DNVFCKCGSA-N 428.533 2.156 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(S(C)(=O)=O)CCCC3)C2)C1 1140161011 SMVKVUDXVVUQQC-NGEICVOHSA-N 439.578 2.247 30 10 IEEE Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1I 1142751858 UDWFDFMXSSCTDI-UHFFFAOYSA-N 437.285 2.398 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)s1 1152417888 CVWHSZXZJFMRNP-GOSISDBHSA-N 433.599 2.454 30 10 IEEE C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1175861581 NWQSDXUEWYREOL-HXOBKFHXSA-N 428.533 2.275 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C[C@@H]3CCCO3)C(=O)OCC)ccc2c1=O 1177476395 RBWAZNCMTDRGGB-WMLDXEAASA-N 431.514 2.102 30 10 IEEE CCOC(=O)c1c(NC(=O)CN(C)CCc2cccc(C#N)c2)sc(C(N)=O)c1C 1197114434 GXRQWDAOYHLVNJ-UHFFFAOYSA-N 428.514 2.317 30 10 IEEE N#Cc1cn(CCNC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c(=O)nc1O 1220682708 BPOCECXTMQZPSH-LJQANCHMSA-N 442.479 2.433 30 10 IEEE CNC(=O)[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)Cc1ccc(OC)c(F)c1 1230367872 BMKBGHPPXTUIOP-QGZVFWFLSA-N 440.475 2.083 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1252136909 UEUPWBRTMMDYLQ-SFHVURJKSA-N 440.525 2.015 30 10 IEEE C[C@H]1CN([C@@H](C)CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 1252369250 HHKFCLMQXUDIDY-OKZBNKHCSA-N 427.549 2.416 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1286291381 VVAPGJPCRJNBBA-KRWDZBQOSA-N 433.603 2.090 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286357457 VEHASLUUCUXKBF-SFHVURJKSA-N 431.562 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc(COC(C)(C)C)on1 1286432586 PWYNCZWCUCNODB-UHFFFAOYSA-N 438.532 2.215 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286447719 RJEPHZSBLMOXGV-QHCPKHFHSA-N 430.556 2.338 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2COCCO2)CC1 1286472184 RCEQYNRXWXSKSW-LEWJYISDSA-N 439.560 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCCS2)CC1 1286487996 JSBONWLHZWKOED-IEBWSBKVSA-N 449.621 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1286492198 DQWFEBIJAKPJPR-MOPGFXCFSA-N 431.581 2.199 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286559748 AHLHKCUNPXKUGG-APWZRJJASA-N 448.593 2.063 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1286694360 BYYOIRMOUQTWDZ-OAQYLSRUSA-N 445.593 2.215 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1286727771 ZGMADLLKVFXVQA-INIZCTEOSA-N 448.568 2.254 30 10 IEEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCNS(C)(=O)=O)c2ccccc2n1 1289354304 ZUPVMDHKIGRIES-MRXNPFEDSA-N 441.561 2.479 30 10 IEEE N#Cc1c(CCCNC(=O)/C=C/COC2CCOCC2)nn(-c2ccc(F)cc2)c1N 1290812044 DGGCFNYVUUDWIL-DUXPYHPUSA-N 427.480 2.266 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1292704352 UYJNXKQFOGGOBE-HKUYNNGSSA-N 445.568 2.156 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1)[C@@H]1CCOC1 1298189633 XUVBICRCIVVPIZ-GOSISDBHSA-N 428.562 2.003 30 10 IEEE CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1299532277 HCBLSVGLPWZOFR-SFHVURJKSA-N 439.564 2.035 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)(C)C 1299714193 BRQWZYKNLJEQHP-CEXWTWQISA-N 427.505 2.351 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300394113 MAYOSOWTZMWGER-SFHVURJKSA-N 445.589 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@@H](O)C1 1300438607 OTJITPGOLRVMHB-DLBZAZTESA-N 430.578 2.167 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300481827 BVQXMFMPAVASLL-OSAQELSMSA-N 438.351 2.243 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C2CC2)CC1 1300513242 WOVVWCXUKPPOPB-DEOSSOPVSA-N 425.577 2.266 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)N1CCc2ccccc2C1 1300532091 MPUCWBIUUWDIER-YADHBBJMSA-N 430.556 2.139 30 10 IEEE C=C1CN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)C1 1300666468 AILCVFNPEQSEFW-UHFFFAOYSA-N 433.442 2.425 30 10 IEEE C=CCn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474004 QJJYXIWZEWTFLE-OKZBNKHCSA-N 434.585 2.392 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](C)[C@H]1C 1301593651 RWAAGYIXWMRXNH-IAGOWNOFSA-N 438.623 2.071 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1301612901 QYENNMUNHJXKFC-WBVHZDCISA-N 438.575 2.270 30 10 IEEE COC(=O)[C@@H](Cc1cncs1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1303323054 XOKBRQMXDBWFLA-SWYKZNPTSA-N 448.545 2.130 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1303641486 BWGIWONNKKNIGV-CQSZACIVSA-N 449.357 2.188 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1309633323 HSWZVLSFWUQOBY-CYBMUJFWSA-N 433.456 2.334 30 10 IEEE CN(OC1CCCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314893590 PCIDSTRHGKKVNS-ZJYNUGOYSA-N 430.509 2.009 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1314953535 UMIHAVMBRLTHNJ-FUHWJXTLSA-N 438.532 2.178 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1315825010 NHZLKMOZVCUATA-CECAUBDESA-N 445.495 2.097 30 10 IEEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2ccccc2)C=C1 1321531682 WVQVHKOAMPLZND-QGZVFWFLSA-O 434.563 2.137 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358909145 VQRJJZRGIIBVHG-IBGZPJMESA-N 426.546 2.138 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1358918707 DMHUIKODPYEURU-AWEZNQCLSA-N 442.486 2.115 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1358922486 GZJJMBPRULUUAP-IAGOWNOFSA-N 431.562 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1358982620 DDQKAIMEIVVFQL-QFIPXVFZSA-N 439.535 2.426 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1359070796 UZPMWQJNSTYPGK-OPAMFIHVSA-N 444.557 2.238 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359086732 GZTIUXSWUZMEJP-AWEZNQCLSA-N 434.342 2.037 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)(C)C 1359104342 AHTCEJOGDNCAHL-UMGGQSCQSA-N 449.596 2.334 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCC(C)CC2)CC1 1359173400 FNSMLOBNWGMPGK-GOSISDBHSA-N 438.642 2.413 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359339254 YIGJAPBYQQPCIQ-UHFFFAOYSA-N 448.556 2.323 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1360770175 URWKZYZPKSAYDZ-WVFSVQOHSA-N 430.459 2.477 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1440866537 KQWXDSIQIKTIEB-UHFFFAOYSA-N 443.525 2.000 30 10 IEEE CNC(=O)c1cc(O[C@H]2CCCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)C2)ccn1 1450639514 FVHKSPQKMMZYOP-FQEVSTJZSA-N 444.495 2.491 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)c1 1454737331 JNQUBHSUDRZOPY-KRWDZBQOSA-N 426.416 2.080 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(Cc4ccno4)CC3)C2)C1 1455129884 KPVXWINJTHKWQX-PSCUFVCCSA-N 429.521 2.106 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)nnc1-c1ccco1 1472259993 XDTYNGUNIYTQSB-SJORKVTESA-N 431.562 2.264 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)CC2)c1 1478901693 MKTHNBGICFPQCZ-NRFANRHFSA-N 430.574 2.131 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1495793220 KTCJWMGEOMEZMT-QGZVFWFLSA-N 425.537 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 1507667826 SGSRNZUZRSHLPC-SIKLNZKXSA-N 430.556 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1507677225 WGVYIURIRPUYMS-FQEVSTJZSA-N 440.569 2.453 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1507690184 QQBORGAEUMCZKM-CQSZACIVSA-N 431.543 2.405 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1507744891 PZGXKCQSEUJODZ-OAHLLOKOSA-N 430.530 2.328 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1508018045 ZZWBVWIFZYOSRZ-NHCUHLMSSA-N 436.560 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 1508074294 RPCMFFKRYBXBTK-UHFFFAOYSA-N 446.353 2.478 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1508341509 JVAHOOVZJMZSHY-UHFFFAOYSA-N 436.516 2.180 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1509720579 AHZVYNHGVBIPHL-HXUWFJFHSA-N 446.515 2.099 30 10 IEEE C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510055996 ODHJDYAURWZRSN-HNNXBMFYSA-N 435.507 2.493 30 10 IEEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@@H](C(F)(F)F)O1 1512498620 HJMBITYMEWRZNR-DOMZBBRYSA-N 438.410 2.069 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1518816376 CQKDBUVZXFACRN-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE COCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519412372 JJQPETUJLCIIIJ-VAMGGRTRSA-N 446.596 2.036 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1 1529773915 UEZNMXIPXQDAIK-UHFFFAOYSA-N 439.324 2.336 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OCC 1531936279 CFABWRZPEGUWHB-BBRMVZONSA-N 445.969 2.250 30 10 IEEE Cc1ccc(CN2CCO[C@@H](CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)cc1 1532337313 ITCVSDQLRQLIRG-GMAHTHKFSA-N 432.524 2.237 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1538487380 UDNSOKPVTZVBCH-QGZVFWFLSA-N 440.338 2.165 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1539324069 PDBXXHUERLMATF-FQEVSTJZSA-N 435.528 2.161 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1539436641 XYHZKXILJRTNNS-ICSRJNTNSA-N 439.560 2.390 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(C)(C)C(=O)NC)CC1 1539441079 KETBCJMNARDIQQ-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539743234 ZCDNXIIIZACJRE-SFHVURJKSA-N 425.537 2.282 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOCC1(C)C 1540162114 LWWTYQXYGMKMIR-UHFFFAOYSA-N 449.563 2.210 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1541136896 DBKKMLPEOHJIHA-RBUKOAKNSA-N 449.559 2.226 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)C1 1541993807 DMJJZWKRKMRYLE-XMMPIXPASA-N 449.559 2.357 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(C(=O)N(C)C)CCCC1 1555625576 DVBQAUPBRLHFLK-QGZVFWFLSA-N 432.569 2.391 30 10 IEEE CSCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555935690 XRFSPMIKRCWRGS-SJORKVTESA-N 442.593 2.302 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 1557385911 MEHYSDNAXBVIGD-IBGZPJMESA-N 427.505 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1587587041 WUZDREHPZOPYFR-NSHDSACASA-N 446.396 2.118 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587587053 WWCKRNGJEDGDGN-JKSUJKDBSA-N 427.530 2.431 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C)CC1 1587782935 FDGXEQKENBMIMU-UHFFFAOYSA-N 433.564 2.368 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1588064651 MMWDLLQYDBGOJT-FQEVSTJZSA-N 427.574 2.194 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nncn1C 1588181206 PMYQCGSROZSPQI-SFHVURJKSA-N 433.516 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1588200511 SLSPTPFCPSNXJW-UHFFFAOYSA-N 438.495 2.441 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(F)F)CC1 1588790972 IYFACLWUABFAOA-UHFFFAOYSA-N 433.459 2.101 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1589069069 IIDUHMQFAQPGMX-SFHVURJKSA-N 443.548 2.250 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](OC)C1)c1ccccc1 1593782105 GQIIBBYWHCPQBP-IEZWGBDMSA-N 433.578 2.463 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1595812561 XXXJMWAHFBLSSW-HXUWFJFHSA-N 441.557 2.281 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595895073 GQUBJYGRZRIYSI-KRWDZBQOSA-N 435.594 2.094 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1596822051 HEIHVFVZVNBPPY-APWZRJJASA-N 431.562 2.361 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1597170117 HNKUCQPTXPPBCQ-KRWDZBQOSA-N 430.524 2.446 30 10 IEEE Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C#N 1597464877 QGSBJHNHERSFBB-IBGZPJMESA-N 428.470 2.244 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1603027552 QRWKEQGIHGBDHL-IBGZPJMESA-N 443.573 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1611189190 MQUSRZFGLLGFPF-OAQYLSRUSA-N 442.451 2.053 30 10 IEEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1612449366 DBGIPPBYZZQXBM-HZPDHXFCSA-N 441.561 2.280 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 1615210744 KDAOPUBNGVXKFJ-OAHLLOKOSA-N 426.439 2.454 30 10 IEEE CCN(CC1CCC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1615555188 ZHWABEQGFUTRJD-QURGRASLSA-N 435.532 2.417 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)N1CCOCC1 1620002706 WOVKALDJCITBCO-AVRDEDQJSA-N 434.585 2.243 30 10 IEEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)o1 1620350873 NHHCGTLQUCCKGM-AWEZNQCLSA-N 447.377 2.206 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCOCC(F)F)CCN1C1CC1 1620355869 OHEJFDNGUFDMSR-GOSISDBHSA-N 434.466 2.466 30 10 IEEE N#C[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1ccc(Br)cc1 1625197527 QMGGLYYFCMXDEA-OAHLLOKOSA-N 441.282 2.029 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3c(F)cccc3F)CC2)s1 1627425452 LWSATOADRFRBOM-UHFFFAOYSA-N 441.525 2.382 30 10 IEEE CS(=O)(=O)c1ccc(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 1628900276 CQFUTEVOAPYHAG-HXUWFJFHSA-N 430.505 2.050 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3COc4ccccc4[C@H]3O)C2)C1 1628990304 LCCLKAGOINTRFU-VRNQNFEZSA-N 427.501 2.384 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)CCN3CCN(C(C)C)CC3)c(C#N)c2N)cc1 1629236362 ODFBXKQNSYTHIB-UHFFFAOYSA-N 437.592 2.100 30 10 IEEE CCS(=O)(=O)Cc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1639282952 HVVRDCHYFFYBDB-AWEZNQCLSA-N 449.554 2.077 30 10 IEEE N#CCc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1 1639962967 FSXTWKNFQZGRGV-UHFFFAOYSA-N 433.249 2.403 30 10 IEEE C=CCn1c(SCC(=O)N[C@H](CO)c2cncn2C)nnc1-c1ccc(Cl)cc1 1641454364 UKHORXLQPGKVHQ-OAHLLOKOSA-N 432.937 2.460 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1643543218 KZZZGHCATMWWFE-QGZVFWFLSA-N 432.498 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1Cc2cccnc2NC1=O 1643857144 NCSWPDDTTXTSQM-RBUKOAKNSA-N 447.495 2.467 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nn(C)cc1C(F)F 1648957579 VTICNNCUIIMHNT-AWEZNQCLSA-N 439.488 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3C(=O)N[C@@](C)(c4ccc(C#N)cc4)C3=O)O2)C1 1655973546 OMFHPXOAOMLGRQ-VGSWGCGISA-N 440.500 2.494 30 10 IEEE C#CCOc1ccc(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 1671135183 LGNUXFSKMVXCAI-FCHUYYIVSA-N 432.524 2.097 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)C1 1681226598 IODKJGQLNUUJMD-BZSNNMDCSA-N 436.553 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1683931108 WMILMXOJCBAPHS-FQEVSTJZSA-N 448.612 2.091 30 10 IEEE CSc1ccc(CNC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1C#N 1684082660 FGNCCIXZJSETAN-UHFFFAOYSA-N 426.546 2.365 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1689901955 SINHVQZDHJHBCY-IAGOWNOFSA-N 431.562 2.313 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1689955687 POLZFEBNZVBMFW-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689986564 SJHMOCQROFMBRA-IBGZPJMESA-N 443.573 2.052 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689996174 DPDWQIYIIWZWLB-OALUTQOASA-N 428.558 2.171 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1690095190 HXAMOBOVEYMQJI-LJQANCHMSA-N 432.546 2.007 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690508143 BVXNCYPPJQKETQ-HXUWFJFHSA-N 443.596 2.047 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1 1690749404 BYBSXDDCDZHOBT-UHFFFAOYSA-N 447.634 2.493 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H]([C@H]4CCOC4)C3)n2CC(=O)NCC(F)F)cc1 1698485222 AFUWZKRFVFYZMQ-SJORKVTESA-N 430.459 2.061 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1705542406 FVSDVQVXFQKZNY-QHCPKHFHSA-N 425.533 2.186 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC(=O)N(C)C)CC1 1705643009 PPELMGOOEUDEMX-UHFFFAOYSA-N 444.967 2.134 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC(C)C)CC1 1705687498 FQDPQVYXHSYOIG-INIZCTEOSA-N 428.375 2.238 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705689173 DYELMAYYXLFUIR-OAHLLOKOSA-N 440.367 2.186 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705763924 IOHUQUNYRMRQRQ-GHTZIAJQSA-N 438.594 2.300 30 10 IEEE C=CCCOCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OC(C)C)CCOC1 1705832581 BURCKWLHCRHHIG-QHCPKHFHSA-N 447.580 2.018 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)cc1 1705910136 SILIXQCKDASUKM-UHFFFAOYSA-N 427.530 2.132 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nnn(C)n2)C1 1705917008 PYNMHIRLOCRZCV-OAHLLOKOSA-N 445.325 2.061 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCOC2)C1 1705919991 OCZDSDCLJAKDMH-AEFFLSMTSA-N 432.546 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(Cc1ccnn1C)C1CC1 1705933492 IUQDMKBEESLJPW-UHFFFAOYSA-N 430.534 2.350 30 10 IEEE Cc1csc(CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1707728109 FNLCFTJIFZOECT-MEUCICPISA-N 442.545 2.315 30 10 IEEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1708229666 ZYOHZJFSWKSKOU-FZFLATATSA-N 430.578 2.479 30 10 IEEE CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1709556590 FBFGJTVWKUIDEF-ZWKOTPCHSA-N 428.537 2.232 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCC[C@H](C)C1 1710698468 ZKCZUBSVCGNNQH-IRXDYDNUSA-N 439.564 2.470 30 10 IEEE CNS(=O)(=O)CCn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1C(C)(C)C 1711425998 HIEDGNMIXXVTPX-UHFFFAOYSA-N 446.577 2.044 30 10 IEEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1712385788 PPFKJEKHVDXUJK-LJQANCHMSA-N 429.546 2.257 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C1 1712585654 MVCJZFAMMUWMJZ-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1722291104 CFCGRAGZLHIALG-IAGOWNOFSA-N 432.569 2.377 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722360217 FIOYIQFGGGWPAS-RTBURBONSA-N 444.605 2.164 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC1CCCCCC1 1722426264 FBSYSSKHUHTKIA-SFHVURJKSA-N 438.594 2.006 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCCCO2)CC1 1722433547 ZOPWTNYTVMNKTH-REWPJTCUSA-N 431.581 2.033 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNS(=O)(=O)CC)CC1 1722569272 TUWUCICWVVSXGT-UHFFFAOYSA-N 433.578 2.168 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCS2(=O)=O)CC1 1722580038 NOJSHNRMROQZKJ-UHFFFAOYSA-N 436.607 2.072 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722624594 FRMSHFUNYYMEFR-UHFFFAOYSA-N 440.552 2.054 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@@H]1OC 1722674296 AWVLKEQXXGZOGK-QUCCMNQESA-N 443.548 2.394 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CCC 1722697500 MMURGYOBFDFOCX-INIZCTEOSA-N 437.548 2.367 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722699942 QIURNLSGNJLKML-UHFFFAOYSA-N 430.578 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1722729007 VQVLTCMQTRBCDR-LJQANCHMSA-N 445.589 2.018 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722740720 RSRCQMWMJPQLOV-OAHLLOKOSA-N 446.577 2.420 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1 1723085667 BYFFXYRWUZCNCD-UHFFFAOYSA-N 440.548 2.242 30 10 IEEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC(F)F)c2ccccc2c1=O 1729603824 MTKXUYTWEOCCRQ-FQEVSTJZSA-N 447.421 2.263 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC4CC4)CC3)n2CCSCCCO)c1 1731182113 USYIHDDCDWLIQO-UHFFFAOYSA-N 426.590 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)c1 1740558847 VOKRFMYWYKLXRO-LJQANCHMSA-N 433.560 2.483 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740580096 XMMWYWBOQDEJMC-UHFFFAOYSA-N 425.518 2.274 30 10 IEEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCN(C)C1 1740618355 CLXRVDANIZGLIN-QFIPXVFZSA-N 431.968 2.388 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCN1CCN(C(C)=O)CC1 1740679279 SINXSYRIYAPLLX-UHFFFAOYSA-N 438.551 2.174 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)CC(F)(F)F 1740683228 ZIVIBEFSMYZYAG-UHFFFAOYSA-N 439.438 2.254 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCCN(C)C)CC1 1740693761 LPTMJWRNUUZSCT-UHFFFAOYSA-N 445.571 2.084 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740751714 NZLWBBZMJMYSRX-LQWHRVPQSA-N 430.597 2.173 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740760547 QAGJPESSHJUCMX-LPHOPBHVSA-N 425.599 2.072 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1740918984 YCGYUDPTNJFCCH-VQTJNVASSA-N 425.533 2.133 30 10 IEEE C=CCOc1ccc(Cn2c(Nc3ccn(C)n3)nnc2[C@H]2CCS(=O)(=O)C2)cc1 1740968488 JJACZQQNADZJQU-INIZCTEOSA-N 428.518 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740993761 IBFGASQXNVLMBF-RXVVDRJESA-N 438.594 2.156 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748808889 IBMZDAGGFFQBJT-DJIMGWMZSA-N 449.964 2.045 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1748846284 FWCGZYRRRVEOPZ-GOTSBHOMSA-N 433.556 2.237 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749032761 OXOOMPZAVAIDPD-INIZCTEOSA-N 440.602 2.441 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1749120781 HLSUDTWKKYLXPQ-AZUAARDMSA-N 440.548 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749133678 OXNPSORVPSUKFB-IKLNAOFOSA-N 427.549 2.485 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749348753 YHUTUQNDOYOUJI-MRXNPFEDSA-N 449.602 2.107 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1C(C)(C)C)C(C)C 1749558626 XBNRDGIMUIHHBW-OALUTQOASA-N 429.613 2.488 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(OC2CCCC2)CC1 1749735369 RIJAYWLLFBFGHT-KRWDZBQOSA-N 438.594 2.311 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760119749 CANDHRKMPPAQRY-MRXNPFEDSA-N 426.521 2.016 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760129586 SCFDRXVYTVZSMM-KRWDZBQOSA-N 435.532 2.224 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760192683 MAVQYDVEMIQFNK-IAGOWNOFSA-N 446.598 2.331 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(F)c(F)c2)nnc1[C@@]1(OCC)CCOC1 1760527960 OGCCWBWROZXOSW-OAQYLSRUSA-N 435.475 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CC)C1 1760556692 MYHNDLUCNZBGGQ-SFHVURJKSA-N 434.562 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(C)=C(Br)C1 1760558285 LDYHMBVFUUBLDK-UHFFFAOYSA-N 433.372 2.294 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760558803 AXFNWOWNNYMAQK-MRXNPFEDSA-N 441.561 2.046 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C1CC1 1760690484 DADGQDLCGJOBBH-CVEARBPZSA-N 444.609 2.317 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)C 1761396152 IBLWNRMQVSGGLX-VQIMIIECSA-N 430.578 2.170 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@@H]1C 1761880821 KCGNARGMQBMIJR-MOPGFXCFSA-N 438.580 2.106 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2)CC1 1765497100 GZAYVRZSFPPDDR-LJQANCHMSA-N 447.591 2.213 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)C1 1765672156 JGKKETBFEBYSRK-SFHVURJKSA-N 446.577 2.150 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1768292498 DLBAEQVWQDCKGZ-HXUWFJFHSA-N 446.602 2.089 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1769508373 BJFGPHNZFVXEBI-ROUUACIJSA-N 426.477 2.475 30 10 IEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1770706704 BCFCNGIGPIGVCK-UHFFFAOYSA-N 446.577 2.007 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1849215015 NIEMRAULAUVHGU-LEWJYISDSA-N 440.569 2.033 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1C(=O)CN(C)C(=O)[C@@H]1c1ccccc1Cl 1851341824 VDLIAXKKADKSKG-IBGZPJMESA-N 427.844 2.168 30 10 IEEE Cc1cc(C(=O)c2cnc(N=CN(C)C)s2)cc(C)c1OCCN1CCOCC1=O 1852798883 NJCFSYSQWKENNR-UHFFFAOYSA-N 430.530 2.450 30 10 IEEE CCc1c(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nnn1-c1cccc(F)c1 1853020329 KVSVKMRXCTZVDU-UHFFFAOYSA-N 433.387 2.453 30 10 IEEE N#Cc1ccc(CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c2cnccn2)cc1 1853028028 VSQACMAKSQVPAD-SFTDATJTSA-N 431.496 2.323 30 10 IEEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1)CC2 1857219902 LVHDZFJGPIGWOH-CVEARBPZSA-N 449.960 2.114 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2=O)CC1 1857387074 BMONKOKUOFSIMM-VQIMIIECSA-N 428.920 2.446 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862629911 HUHVMMWIHCAAFL-LJQANCHMSA-N 439.424 2.463 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862738333 YZRINSLZBVJFMR-ZMZPIMSZSA-N 428.397 2.268 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCCCCCO 1870578377 KYRONDVCHGWGLR-UHFFFAOYSA-N 433.578 2.418 30 10 IEEE COc1cc2[nH]c(C(=O)O)c(/C=N/N=c3ccc(-n4nc(C)cc4C)n[nH]3)c2cc1OC 1873793274 GPZHSBLMLOITRC-LSHDLFTRSA-N 435.444 2.344 30 10 IEEE Cc1c(Br)cncc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889278464 JVNUTWFGXKHWKI-UHFFFAOYSA-N 449.393 2.025 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)C2)c1 1890119674 CCKSXCOBXPWGGA-AZUAARDMSA-N 440.525 2.176 30 10 IEEE CN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CN(c2nccnc2C#N)C1 1890505573 GLROFXRXRBUFIZ-UHFFFAOYSA-N 434.887 2.172 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1909082337 OYNDVAANCCWGNC-KFWWJZLASA-N 441.525 2.425 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCO1 2010508701 ZWJBIPGUOGHDQB-XXBNENTESA-N 428.533 2.297 30 10 IEEE CC(C)(C)OC(=O)NCC1(CO)CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2232334185 KCJOFCKPBOJDJU-UHFFFAOYSA-N 447.385 2.484 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247894935 MIIDDKPDLWOJEH-AWEZNQCLSA-N 440.371 2.177 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2253616420 BCMDRRLZXXASRB-UUAJXVIYSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603490 FDDJWIFPUOGHLU-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626479 GOTYUMHRENGMPP-ZIAGYGMSSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2255696320 RZGKYIWFIXMNAP-UHFFFAOYSA-N 431.342 2.464 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255827505 XZMCNMCNFCKZIL-UONOGXRCSA-N 434.346 2.084 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2259354469 CORTWSYZANMAHV-ZBFHGGJFSA-N 433.358 2.357 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009820 OXHQVVPKJOQKBH-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cc1c(C(=O)N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135310 BAKCPUASDGSJOA-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267177303 LWZKTIOWTNZZLW-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@H]1NC(=O)OC(C)(C)C 2267198093 TWQHZCPFNBMTHC-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267243715 ZMVNWIXTIZUNJV-ZWKOTPCHSA-N 446.353 2.316 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n1 2267495254 ZENLUFORIGOWBH-JKSUJKDBSA-N 448.373 2.285 30 10 IEEE Cc1cnc(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2267581193 OGFJETRJCXKNAI-UHFFFAOYSA-N 437.349 2.420 30 10 IEEE C[C@H](NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268652363 GMBHPCWTLJHRBI-RLFYNMQTSA-N 448.369 2.437 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269075638 XLHXANLIGXSZPV-HXUWFJFHSA-N 438.333 2.301 30 10 IEEE Cc1cc(CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273791984 NJZZTQRFMQZJAL-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300337822 NPRRTAJCNAKLDF-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322299394 NMDHWRMASROZHF-NEPJUHHUSA-N 431.239 2.413 30 10 IEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C(C)C)cc(Br)c1O 2331690302 DXVNEKITAIPNDR-UHFFFAOYSA-N 428.312 2.338 30 10 IEEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CCC(NC(=O)OCc2ccccc2)CC1 2365211869 PLJZVAMNORMMIU-LVIWNVNYSA-N 436.574 2.001 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2cc(Br)ccc2C#N)C1 2379813395 JSHYQSHGULUNET-INIZCTEOSA-N 435.322 2.492 30 10 IEEE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\NC2=NC(=O)[C@@H](CC(=O)O)S2)cc1 33432040 NGAGBHFZPWTACI-IWEBCOIVSA-N 447.494 2.159 30 10 IEEE CCOc1ccc(Br)cc1C(=O)NC(=S)N1CCN(CCC#N)CC1 100435687 IDMXMCLPISYCRX-UHFFFAOYSA-N 425.352 2.394 30 10 IEEE C#CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@@H]1CCS(=O)(=O)C1 111191811 VJXFUKSXAKCLKR-QGZVFWFLSA-N 431.539 2.061 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CCC1 431018660 XRZKTEWPHMFTNV-UHFFFAOYSA-N 447.564 2.096 30 10 IEEE COc1ccc(-n2cc(CNC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)nn2)cc1 446296271 SUJRWGPCUVBLPH-UHFFFAOYSA-N 430.472 2.056 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 461730296 RZPDFSXTMZGSAH-QYZOEREBSA-N 428.500 3.014 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C 487381993 VYXCXDXAGIWEDS-UHFFFAOYSA-N 430.407 2.259 30 10 IEEE C[C@@H]1C(=O)Nc2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)ccc2N1C 495109926 HSUFUOOUWRDTIV-BFUOFWGJSA-N 435.509 2.489 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Br)cc4nc[nH]c34)CC2)c1C#N 505096892 VZGCTGSDHKQUKY-UHFFFAOYSA-N 428.294 2.201 30 10 IEEE COc1cc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)ccc1C#N 519041729 AHCYXUOKOWUTIA-UHFFFAOYSA-N 432.458 2.108 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)cc2C)c1=O 522109596 FIHQUIYLDOCMAV-UHFFFAOYSA-N 438.549 2.352 30 10 IEEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 525831353 CWAVKLYWUWAPOK-AWEZNQCLSA-N 427.251 2.434 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NCc3ccccc3)cc21 526839498 IEQWVMVEAYUPQG-ZYSBOAIWSA-N 440.521 2.234 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)n1 544877110 LGJXIDGYZABEJI-UHFFFAOYSA-N 427.430 2.262 30 10 IEEE CNC(=O)c1cc(Oc2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2F)ccn1 572829362 BPCYCUWCEJXRIX-UHFFFAOYSA-N 425.420 2.121 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 590292318 JCAQVXVENNMWLS-ZDUSSCGKSA-N 436.455 2.234 30 10 IEEE C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 610615234 UXFCNOLBCBMRKR-INIZCTEOSA-N 441.557 2.092 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 613357265 ZLWIRJFZEPXWHT-KRWDZBQOSA-N 435.527 2.162 30 10 IEEE CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732700495 HVIZGFACNYEEDA-FXAWDEMLSA-N 428.556 2.410 30 10 IEEE COc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 734293669 HBIHFXFTUKYTTP-UHFFFAOYSA-N 443.510 2.053 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 748065048 GZTZXRHQNDQHQV-UHFFFAOYSA-N 434.464 2.030 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCOC2)cc1 752844052 DWDQPASJGDPUFH-MJGOQNOKSA-N 438.532 2.079 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 755622416 WTCDFIHUBAEIMY-MRXNPFEDSA-N 427.551 2.276 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CCCCC1 760400060 FOXBRWDLVBEUMY-ZDUSSCGKSA-N 425.457 2.238 30 10 IEEE N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 770502802 DNPNFTSGMFGVGE-CKXDQPNJSA-N 434.823 2.252 30 10 IEEE CCc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCC1CS(=O)(=O)C1 786682229 DZRNLVCSHLIAOB-SFHVURJKSA-N 449.598 2.284 30 10 IEEE CCn1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)cn1 795184973 ZKRUAHVJMMRTSG-MRXNPFEDSA-N 434.591 2.164 30 10 IEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C)[C@@H]1CCS(=O)(=O)C1 809821490 UJUGLQLPVXTBJT-GFCCVEGCSA-N 427.299 2.010 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 812182057 BAHYPAIGGHJNBW-IRXDYDNUSA-N 448.568 2.254 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 812182185 DMIPOVROJYYUTE-SJLPKXTDSA-N 426.521 2.371 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c2c(nn1C)CCCC2 812613683 TZHGHPMZMYSBLK-SFHVURJKSA-N 443.573 2.213 30 10 IEEE CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777828 WDOKWLPJRVXPAV-LJQANCHMSA-N 428.514 2.028 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C#N 917792817 GHDFBAZAWGBZDC-UHFFFAOYSA-N 433.836 2.359 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc3cccnc23)cc1 1116083125 BAVTZRAOHHANSB-UHFFFAOYSA-N 443.506 2.431 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1135889368 FAVCTHAVHKQBIC-JTSKRJEESA-N 429.521 2.064 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1140723894 QULSETDMECCCNK-HOTGVXAUSA-N 439.944 2.177 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)OC)c3ccccc32)ccc1F 1153666825 PVQDDTOJZBHZPE-AEFFLSMTSA-N 432.473 2.421 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H](CO)CN2CCCC2)c1 1160327970 DWJHYWBDKDQJTP-IBGZPJMESA-N 438.553 2.476 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c1 1160673924 VDDKSYPUVKAWSE-UHFFFAOYSA-N 441.387 2.118 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 1165488879 GDIFGYCLINNALH-LJQANCHMSA-N 433.917 2.412 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C1CCOCC1 1167413742 JIKDQTHCPNTCSV-SFHVURJKSA-N 444.509 2.360 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)cn1 1171897635 IPKVYIIYGPIQRW-QZTJIDSGSA-N 437.496 2.474 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 1213711866 ROIAEMGLYYDPRL-UHFFFAOYSA-N 434.514 2.380 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)CC1 1224451323 GMQBRHZCSNTHTG-LJQANCHMSA-N 438.981 2.366 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NCC3(N4CCCC4)CCOCC3)CC2)c1 1226986335 CTJDHKULXXCLGM-UHFFFAOYSA-N 425.577 2.467 30 10 IEEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1251337690 KPGDORMQBSLKTC-MOPGFXCFSA-N 431.496 2.492 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2cccc(OCC#N)c2)c1 1251828535 WQGSXNOFJRZJRY-UHFFFAOYSA-N 442.541 2.369 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)c(F)c1 1256149853 RBQFVSBFAHTROI-OAHLLOKOSA-N 426.452 2.025 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1286269276 DMCXKRJHDPMDSM-AWEZNQCLSA-N 429.908 2.445 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1286386200 WIBJPAJKZKPDKA-IBGZPJMESA-N 443.573 2.209 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1286397269 YQBYRKBROFXPCD-MSOLQXFVSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCOC(C)(C)C1 1286403961 PEGAGZBCJHXLTQ-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCn1cc(Br)cn1 1286425546 NZDMTVITQAPHME-UHFFFAOYSA-N 426.322 2.406 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCCS(C)(=O)=O 1286528819 OCLCDQLIGQUKNZ-OAQYLSRUSA-N 432.546 2.293 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286564355 XRLXBAWANPIEMB-VQIMIIECSA-N 448.593 2.115 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOCc2ccc(OC)cc2)CC1 1286637597 IEDZLSLVDKSGEI-QGZVFWFLSA-N 449.577 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286781607 VLWWBOVRQCIKNG-INIZCTEOSA-N 428.512 2.082 30 10 IEEE CC(C)CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCN2C1=O 1287733267 FHWHUZYSJBKAMO-LJQANCHMSA-N 437.548 2.170 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)NCCNc2ccc(C#N)cn2)C1 1290718731 TZPQHKXMYPNTDA-HNNXBMFYSA-N 425.493 2.243 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 1296274741 ZZRXZHUEMZFXIR-QGZVFWFLSA-N 428.514 2.185 30 10 IEEE C#Cc1cccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)c1 1299356701 UONNLKKVKOFTHX-JOCHJYFZSA-N 442.537 2.449 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1300381894 KEESZFIHOGLOMW-RBUKOAKNSA-N 428.581 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCS2)CC1 1300724634 AIVIZGUUXUCCOA-RTBURBONSA-N 431.606 2.424 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300845132 UUDBDPKXCYCVDB-IRXDYDNUSA-N 440.386 2.239 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1300971758 AFNVFCGUQKXFNE-UHFFFAOYSA-N 445.543 2.260 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1301000361 RWDASKPIVDFCRE-UHFFFAOYSA-N 438.532 2.284 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301259737 NHQQMRPRQSWOJX-RBUKOAKNSA-N 425.533 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301492050 WEMWMUHANPQLHR-OAHLLOKOSA-N 425.468 2.462 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C[S@](C)=O)cc2)n1 1304485030 HPZWJOUJPMFTHG-RQZFFVEVSA-N 436.541 2.304 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1304597876 HJQZLYOJEJGHQH-GOSISDBHSA-N 427.530 2.320 30 10 IEEE N#C[C@]12CN(C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1312671104 DJAUMNKKHMNCLH-XKGZKEIXSA-N 437.949 2.387 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nncn2CC)cc1OC 1314176330 IEWXXPJNJQJPLN-NRFANRHFSA-N 440.483 2.454 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1358903681 GLTURPOAQDBXPV-QGZVFWFLSA-N 441.532 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CN(C2CC2)C1=O 1358989572 HVMVUYDCBHWOJN-VWLOTQADSA-N 447.539 2.436 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359035923 IOGJQSJZICEYDA-UHFFFAOYSA-N 425.524 2.063 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C(=O)NC)CC1 1359175917 FUHGVWZLDBDNOC-UHFFFAOYSA-N 435.536 2.095 30 10 IEEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC)CC1 1359181048 CMDLCXXGRGSSFP-UHFFFAOYSA-N 433.578 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1359893846 OZOVAUMQADMDOF-HUUCEWRRSA-N 442.607 2.050 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 1443539525 WRXUVWJJSUOOST-VZCXRCSSSA-N 443.866 2.410 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 1454953207 CFWFPMCFPMQMDN-QGZVFWFLSA-N 435.546 2.133 30 10 IEEE CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1455636744 LDKABZDXIFCGLS-MRXNPFEDSA-N 445.520 2.295 30 10 IEEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1456207228 GQNWOOUTZZNDHP-VWXURSGXSA-N 439.578 2.056 30 10 IEEE CCOC(=O)c1[nH]c(C)c(C(=O)Cn2cc(C#N)c(I)n2)c1C 1459142713 KVOMPXFVJRYCBO-UHFFFAOYSA-N 426.214 2.364 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1465029748 ATFPNVUTTXVFEI-UFYCRDLUSA-N 448.608 2.132 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1465527676 ARKLRLMWGIVFHW-STQMWFEESA-N 432.930 2.217 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1467944595 SHFHJIOADUHSQT-KRWDZBQOSA-N 434.562 2.342 30 10 IEEE CCNC(=O)Nc1c(C)cccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1468778972 BNSOEQLLTFYXIY-UHFFFAOYSA-N 429.502 2.204 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c1 1469675322 SNXKLFZMCYPYNT-IFMALSPDSA-N 447.457 2.450 30 10 IEEE C=CC(C)(C)CCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1470903801 FYZRLLZKSDTNHD-UHFFFAOYSA-N 437.562 2.466 30 10 IEEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C#N)n1 1472738218 HHQBYJDNYXNQPE-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE Cn1cc(-c2ccnc(C3CCN(CCS(=O)(=O)c4cccc(C#N)c4)CC3)n2)cn1 1473679689 DJORFCZPWVLBJB-UHFFFAOYSA-N 436.541 2.402 30 10 IEEE C#C[C@@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1 1478012821 BCNQIDIKIUUEHO-CVEARBPZSA-N 430.306 2.352 30 10 IEEE CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C[C@H]1C 1502265143 KNWOXVFIVBRJAM-YLAKUSLOSA-N 428.537 2.434 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCNS(C)(=O)=O 1503462477 SLYUOBHGQMZEOV-UHFFFAOYSA-N 445.936 2.051 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1505053068 VOQLFODUJBTPBL-QHCPKHFHSA-N 441.532 2.399 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1505123889 JJYORRAZZHEFBJ-GOSISDBHSA-N 426.502 2.257 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507560724 NLAUILFRCLJXBW-UHFFFAOYSA-N 446.515 2.080 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(=O)NCC)CCC1 1507705841 XRSZJQJTLMSNJG-UHFFFAOYSA-N 430.940 2.386 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OC)C1 1507747280 GIQHRHHHBQXXQB-QGZVFWFLSA-N 434.587 2.330 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1507771811 CZJQEWSEFABNKF-XMSQKQJNSA-N 443.573 2.143 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507784120 IBQGJUIBWXZCHR-CYBMUJFWSA-N 428.356 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1 1507805668 NFEWJCWJPMXPRW-ULQDDVLXSA-N 425.599 2.496 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 1507806011 LWYMRUMZOXKNSQ-GHTZIAJQSA-N 447.580 2.217 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507839062 AKNRSIOCOTZYOW-UHFFFAOYSA-N 438.536 2.337 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)N(C)C)CC1 1507897742 LCLBHZVZBHIHPH-UHFFFAOYSA-N 429.521 2.462 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1507982141 MQZIKWXQBWNYSS-AWEZNQCLSA-N 428.518 2.183 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCC(C)C)C1 1508094711 ZPFIMUYQZBNRBE-PXNSSMCTSA-N 441.532 2.344 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCNC(=O)C1CCC1 1513919172 XXCGNPWNBHNQBK-UHFFFAOYSA-N 439.539 2.484 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1515894155 QUHGQHPDTVQTKQ-IIBYNOLFSA-N 446.962 2.461 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1516734470 VKGIMPZXWSBHNO-FXAWDEMLSA-N 440.548 2.221 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2CCCOC(F)F)cc1 1521109947 IJOCXGDLSKKPMP-OAQYLSRUSA-N 449.458 2.354 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCSCC(F)(F)F)CCO1 1521130237 TVKKJFDMAYFHOB-LLVKDONJSA-N 444.439 2.030 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1532460960 DIIABQPRYLNXQZ-JOCHJYFZSA-N 431.489 2.277 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1nccs1 1533903287 ABBXCXITGFOXGC-UHFFFAOYSA-N 431.539 2.413 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)ccc1F 1536475424 BUSANAUVMJSZPX-UHFFFAOYSA-N 426.491 2.254 30 10 IEEE C[C@@]1(C#N)CN(C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCO1 1536618645 IHFHRHULEDGBRH-HXUWFJFHSA-N 431.539 2.250 30 10 IEEE N#C[C@@]12CN(C(=O)C3(c4cccc(OC(F)(F)F)c4)CCC3)C[C@H]1CS(=O)(=O)C2 1538539299 CLJFXPSTRIGCKI-YOEHRIQHSA-N 428.432 2.404 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539025877 NTDCYWZAFKSJAT-IEBWSBKVSA-N 448.579 2.098 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1N(C)CCCC1(C)C 1539401055 QZDMHSAGLBAWCV-XXBNENTESA-N 433.597 2.137 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1539427311 AKOTZJLPLXSYHU-MBSDFSHPSA-N 437.548 2.028 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1539444303 MKXAISYDOBGTNN-UHFFFAOYSA-N 447.587 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1539477441 MTPQEBCODJLGNY-BXKMTCNYSA-N 438.576 2.411 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539780822 VGEIVKVRGQJOGR-UHFFFAOYSA-N 430.896 2.227 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C)C1 1540861729 DPSLCIHPZXUVLV-OAHLLOKOSA-N 430.940 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccco2)C1 1540895821 ACHHFAKUHVCNFS-YZVAWVHESA-N 432.521 2.284 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540920008 LHRSXZFMQMXTRC-QGZVFWFLSA-N 440.529 2.289 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1541279278 MZQDYYBLYNPFJB-XLIONFOSSA-N 440.548 2.098 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1541801055 NAGCBBFANXHXAO-FGTMMUONSA-N 445.593 2.226 30 10 IEEE Cc1nc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C 1542049734 WBTOADOTDIKTTJ-DYESRHJHSA-N 446.577 2.364 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1542702774 OZAJMFURHCUIGT-UHFFFAOYSA-N 432.527 2.067 30 10 IEEE COc1cc([C@H](C#N)NC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1544487502 ZTEBIAWNIGCZPB-NYHFZMIOSA-N 449.504 2.155 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CC(=O)N1C 1544724117 WUNIFORXSUFFPT-KRWDZBQOSA-N 430.516 2.381 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1554151676 RGTCQUCXKVQNKL-RBUKOAKNSA-N 429.546 2.462 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1554421204 AQXYCYBEVVPWIN-PZJWPPBQSA-N 449.559 2.038 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCN2CCCO)C1 1555985788 ADXFYIYWMLTUDB-NZQKXSOJSA-N 426.540 2.352 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC3CC(OC)C3)nnc12 1559013751 IMNODYIRIINJDW-UHFFFAOYSA-N 427.530 2.254 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)F 1568509122 YEHNAXAFCGFWPX-HZPDHXFCSA-N 436.459 2.324 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccnc(C(F)(F)F)c3)C2=O)cc1 1583136076 OIFYOJJNYMGNKB-OAHLLOKOSA-N 431.374 2.493 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182534 NDGRAMPHJOIQJR-QFBILLFUSA-N 449.573 2.277 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1587392713 RVJSDUVVQCYPOZ-CYBMUJFWSA-N 431.352 2.248 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1587868688 AFAKCBKHVGDKSN-UHFFFAOYSA-N 438.605 2.493 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588053923 IXCZHUUYFFZKHW-FQEVSTJZSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COCCC 1588138986 KDEOZSVEYVUMFQ-NRFANRHFSA-N 440.569 2.228 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1noc(CC)n1 1588646719 MBEGZGSWTHCOAI-GOSISDBHSA-N 438.488 2.065 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC3(CCCCC3)O2)CC1 1588733060 LMCXWQDNVKDPFI-IBGZPJMESA-N 428.581 2.053 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1588761971 DBGZGBLNPBLYDA-QFIPXVFZSA-N 438.576 2.058 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1588811276 FAVSZENICYWOIV-UHFFFAOYSA-N 436.560 2.130 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1589053248 KTRFMWMSHDHXBN-HNNXBMFYSA-N 431.591 2.200 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC=C 1589163220 IYMHVDVJRANXTB-LJQANCHMSA-N 431.338 2.340 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1593695209 CLFJQIYEEDPQFZ-SJLPKXTDSA-N 444.511 2.364 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1594692856 IRHREGPJCIWXLT-UHFFFAOYSA-N 434.522 2.338 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1595570107 XSWJJYPJLHPNOV-MOPGFXCFSA-N 426.565 2.121 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1595706495 MBWOEQWQRAIQLM-HYHOCUEZSA-N 434.500 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCOC2)C1 1595744136 KGNUCBSOPJPXSQ-OFNKIYASSA-N 428.533 2.407 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C(=O)OCC 1596778880 YYYPGVIUMOLLQU-OAHLLOKOSA-N 432.851 2.436 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1596831641 OSHZWHZCXKJLGS-DOTOQJQBSA-N 444.540 2.148 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CCN(C)CC3)c2)s1 1597396540 BHBVMXSEBVOJKX-UHFFFAOYSA-N 448.614 2.141 30 10 IEEE C[C@@](C#N)(NC(=O)Cn1cnc2c(cnn2-c2cccc(Br)c2)c1=O)C1CC1 1614768850 SFRBEKVYNNQHKF-IBGZPJMESA-N 441.289 2.153 30 10 IEEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O 1617039266 XMJLMZUMPGLNFD-OAHLLOKOSA-N 431.455 2.259 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2 1624816181 DNPMMXPFJLHTLQ-YLJYHZDGSA-N 427.501 2.382 30 10 IEEE N#CC[C@@H]1CCCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1629174600 IMRIDMPSYQWQJO-KRWDZBQOSA-N 435.546 2.449 30 10 IEEE CNC(=O)c1ccc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1630145456 HZMOYKVXHGILAU-UHFFFAOYSA-N 443.511 2.340 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 1632302946 YLPBMFHIYCHQCB-UHFFFAOYSA-N 428.439 2.351 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1632320743 DARVWDCDZCVPKU-QFIPXVFZSA-N 440.565 2.423 30 10 IEEE N#Cc1cccc2c1CN(C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C2 1634986132 BPNMRCZGLOQDHZ-FQEVSTJZSA-N 436.487 2.440 30 10 IEEE C[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2cncnc21 1636521802 AALQFORENUDWIR-HNNXBMFYSA-N 427.530 2.221 30 10 IEEE N#Cc1cn(CCC(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)c(=O)nc1O 1642390695 BHLOXRMNIPVFIS-UHFFFAOYSA-N 436.375 2.387 30 10 IEEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)CCOCC1 1642708358 OOMTZTBTAAHXNH-WBVHZDCISA-N 427.423 2.129 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC4(CC3)C[C@@H](O)CNC4=O)c2C#N)C1 1648506871 YPDXTRIJIAOWEY-LSDHHAIUSA-N 430.574 2.036 30 10 IEEE N#CCN1CCC[C@H](CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 1654363327 SJZGBLLZMDOOCY-OAHLLOKOSA-N 442.379 2.355 30 10 IEEE C#CC1(O)CN(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)C1 1657705322 VOYVMKUZFIHSBS-UHFFFAOYSA-N 447.900 2.208 30 10 IEEE C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1664407202 NHVRMUREPAQCBM-NSHDSACASA-N 426.354 2.064 30 10 IEEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1672068247 AJTBTGNMJLPLDN-LAUBAEHRSA-N 442.541 2.398 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCCOC)c1 1689851644 TXADZVFJZIXLHC-PKOBYXMFSA-N 446.573 2.102 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1689990533 PNZLIUGWXGRDCO-QGZVFWFLSA-N 436.969 2.113 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCc1ccc(C)cc1 1690019908 ULEGQWHUCMWAHM-FQEVSTJZSA-N 442.610 2.495 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1690059792 XXFYPDFMBXGWFY-INIZCTEOSA-N 431.562 2.088 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1690095446 QGUHMPDDEZHXCS-UHFFFAOYSA-N 432.546 2.007 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCCC 1690096743 ZQVYGYFXDWCGBR-UHFFFAOYSA-N 434.338 2.320 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCN(C)CC1 1690105997 HFYXOCSODGENPM-UHFFFAOYSA-N 445.637 2.053 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1690115494 HURFPXVHBBYDMP-NRFANRHFSA-N 436.604 2.231 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690155027 CWSBEUKWVCSUFU-UHFFFAOYSA-N 432.638 2.293 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690167165 CRNSLCHXAMBFBJ-LJQANCHMSA-N 443.548 2.278 30 10 IEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 1690316585 IDBVQYPQCLSYQM-UHFFFAOYSA-N 440.592 2.072 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690342143 BRCLFIKLFQNWSW-HNNXBMFYSA-N 434.903 2.456 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1690513865 LSNBGKLGXRIHOU-UHFFFAOYSA-N 447.543 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690724589 SAGLXGQUKVNOAJ-QGZVFWFLSA-N 439.626 2.210 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690751280 YFJUHIHSLGKMBY-MRXNPFEDSA-N 426.546 2.315 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1692551825 HNCZYDFBUCTBBP-UHFFFAOYSA-N 432.532 2.287 30 10 IEEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1694180319 DBBAMYMCWMQLFM-HRAATJIYSA-N 431.562 2.239 30 10 IEEE CCCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695267143 HHZKDLRXBWSEIP-UHFFFAOYSA-N 449.563 2.397 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)COC)c2ccccc2c1=O 1695899142 FUYPTJNFRZSUOI-OYHNWAKOSA-N 439.495 2.399 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1695977840 FVIQWFUYYWHNPO-LJQANCHMSA-N 434.504 2.313 30 10 IEEE CCOCc1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1696264860 KPZBOFXNQXPXSU-DKYWCIHHSA-N 428.537 2.500 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[C@H]2CCOC2)cc1 1698489382 PQSRGFOYSJUASK-RBUKOAKNSA-N 438.532 2.247 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(N(C)C)Cc3ccccc3C2)n1 1705631050 PYBRQAATTSYMBR-UHFFFAOYSA-N 447.587 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCN(c3ccccc3OC)C2)CC1 1705644942 HGQZJBDMYVRHSW-IBGZPJMESA-N 436.560 2.087 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccc(C(F)F)n2)CC1 1705780908 KPOYAPWHVYXRNM-LBPRGKRZSA-N 441.508 2.067 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705834309 IDGPKOPHMRBRPM-HZPDHXFCSA-N 437.541 2.461 30 10 IEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705948702 COUFQZRWMOCKIK-MRXNPFEDSA-N 446.552 2.471 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCCN(C)C(C)C)CC2)c1C#N 1707807645 HWJCRLIAAIIKGQ-UHFFFAOYSA-N 439.612 2.201 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CCOC)c1 1708664139 GSFVGSFBDAOFFP-RTWAWAEBSA-N 435.532 2.440 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(SC)c1 1722426764 GXNIUJWZFADMQL-UHFFFAOYSA-N 425.562 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCCOC)CC1 1722445092 LJHFZPIKIPCHFR-UHFFFAOYSA-N 432.528 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1722445156 SPPCHPLYWIQHGA-UHFFFAOYSA-N 441.532 2.017 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722506844 GPTFZZOFIPIAOR-AABGKKOBSA-N 431.581 2.458 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1 1722516194 WCYUAHOXIODJJN-UHFFFAOYSA-N 439.545 2.214 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1722723015 UMXVEQPBWCZJMD-AZUAARDMSA-N 446.573 2.382 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1722868926 MMJZNSDVKINXQF-ZACQAIPSSA-N 426.512 2.124 30 10 IEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCN(C)C 1723188835 IYLRSPHFWLNKQV-UHFFFAOYSA-N 425.581 2.174 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1727228757 AEDKFGSKWSMFQK-LJQANCHMSA-N 438.532 2.103 30 10 IEEE CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1727292740 NPOZQOQBBJJOLD-LJQANCHMSA-N 439.564 2.316 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)CC1 1731189795 QGZWKDSGLNBODW-UHFFFAOYSA-N 428.562 2.309 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740598585 VUJNJBPFGYXGSA-PMACEKPBSA-N 431.581 2.499 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1740615888 NCZYTPLUUBVELF-WOJBJXKFSA-N 444.601 2.460 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1740620596 FHHBDTHTZKTSET-KRWDZBQOSA-N 427.555 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)C2CCCCC2)CC1 1740691228 XKOJCSONBVKAHN-CVDCTZTESA-N 433.597 2.089 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCCCOC)cc2)CC1 1740695291 LXMYZTKQEOPTTI-UHFFFAOYSA-N 434.544 2.492 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CC(N)=O 1740758028 YVPGYQBSNZAQBW-NBQZKYEYSA-N 427.505 2.355 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740863602 BKNXSLMQSYOXEY-OALUTQOASA-N 430.597 2.318 30 10 IEEE C=CCCOCCn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1740888705 RUDZWZZYCXIOAX-QUCCMNQESA-N 432.613 2.157 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1COCCO1 1741126377 RQYSPQIMMQHQAC-UKRRQHHQSA-N 437.342 2.447 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1747345853 MTYYDHKBJKQRGM-GOSISDBHSA-N 447.561 2.026 30 10 IEEE Cn1nncc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1748068684 HYOGNNKSRXYONS-UHFFFAOYSA-N 430.314 2.343 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1748710074 GACKUFLVHGGRBE-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1748751568 IWCHVFFWGVIACF-WOJBJXKFSA-N 439.541 2.043 30 10 IEEE C#CCCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748763889 CCPCWNFZEBJPFO-WIYYLYMNSA-N 438.594 2.136 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cnnn1 1748914744 IQZHCVGQTUFUAJ-UHFFFAOYSA-N 445.325 2.253 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@@H](C)CC 1748915568 YEUXXZOFHWRWPP-HTAPYJJXSA-N 447.605 2.452 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)[C@@H](C)CC)CC1 1748987585 YNECIFMQLWNLLQ-SFHVURJKSA-N 448.575 2.079 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(SCC)c2)CC1 1748994621 LAXASZDIDOGUET-UHFFFAOYSA-N 438.601 2.316 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749039480 VADWUNHTKMSWNW-UONOGXRCSA-N 436.525 2.325 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1749357628 XNKSNGYGGZDFIJ-UHFFFAOYSA-N 435.536 2.225 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749367409 USCUGBMTRGHGIB-DLBZAZTESA-N 425.599 2.292 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749677303 VMROSAQXHRUTEY-MOPGFXCFSA-N 425.533 2.065 30 10 IEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(CCC#N)CCC(C)C)c(=O)n1C 1751512412 FOJPCYVAQJDZIW-UHFFFAOYSA-N 427.553 2.238 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@]2(CCOC2)O1 1752311388 ABECYQXNDSBNKK-GAJHUEQPSA-N 438.532 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1760111465 NAPKAOURWGNWHQ-CRAIPNDOSA-N 447.543 2.048 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[C@H](C(F)F)N1CCOCC1 1760119008 RUICHWNRIRIPBM-RHSMWYFYSA-N 438.548 2.448 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760157156 GHBFYJDVMRPUSJ-UHFFFAOYSA-N 448.571 2.014 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCNS(C)(=O)=O 1760195617 FHMXEPKOVYSSKT-UHFFFAOYSA-N 447.973 2.435 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCOC 1760203598 JRTBIEKPHPMSBC-LJQANCHMSA-N 445.564 2.476 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1760338732 QXDAHKYGZGIIAQ-UHFFFAOYSA-N 427.521 2.441 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C)C1CC1 1760475423 GVKINJKZNJEQOC-GASCZTMLSA-N 428.541 2.380 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1760529742 KIQGEKHZCOQMEM-HSZRJFAPSA-N 433.516 2.311 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CO)c2)C1 1760534825 GVNAXOKKTDKCPJ-IBGZPJMESA-N 434.500 2.247 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@H]1CCOC1 1760692667 CBLVEMJZZDEUAG-CVEARBPZSA-N 437.504 2.385 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1C 1761828603 NGDDGHCTIRGEIO-FCHUYYIVSA-N 426.496 2.394 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765449768 HNHMPRZJJAEOOJ-AUSIDOKSSA-N 439.564 2.316 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1766817302 LPWVHYPTSILSNR-HYHOCUEZSA-N 436.516 2.477 30 10 IEEE CO[C@H](C)c1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cs1 1767995957 GDWRUBAMVBQEJY-CQSZACIVSA-N 429.550 2.466 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1769242760 WZZOKBORUPJMSI-SFHVURJKSA-N 437.504 2.101 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1769548367 HZEIMDTZSGQOML-OXQOHEQNSA-N 437.447 2.063 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC2)c1 1769921584 HCYVIAOOHJICGO-FQEVSTJZSA-N 426.521 2.177 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1770502192 PBGJTMPATGWUJE-QFIPXVFZSA-N 436.472 2.080 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1)[C@H]1CCN(C)C1=O 1848749889 JSFYOUQIQKLHLB-KGLIPLIRSA-N 445.994 2.048 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCO)ccc1O 1862578351 DTWDZVZNLMPIIS-HXUWFJFHSA-N 443.452 2.379 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(OC)c2)c1 1862705088 PTDUROXXLULPDA-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1868820475 RUCSIQVEQSVUOF-AZUAARDMSA-N 436.549 2.269 30 10 IEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870149178 HZSYFPSWBGGPRK-KRWDZBQOSA-N 443.467 2.085 30 10 IEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1870149313 JJPDLKSNSOCBJF-QGZVFWFLSA-N 443.467 2.085 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c[nH]nc4c3)CC2=O)cc1 1870159105 GCZCRUMGKQHBIU-AWEZNQCLSA-N 442.439 2.015 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874340743 SXRJHYVMLYUOAQ-PZUDMAOCSA-N 432.506 2.267 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2009979854 ODXXOUPGKCXEPY-CABCVRRESA-N 441.525 2.167 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)n[nH]1 2141670930 UAVKEHYLECVKNS-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE C[C@@H](c1cc(C#CCN)cs1)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186579718 MAVMKBCDJRHRCN-HNNXBMFYSA-N 445.566 2.067 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227462100 HIPXVWKANRBKGQ-GOSISDBHSA-N 442.331 2.452 30 10 IEEE COC[C@@H](CNC(=O)OC(C)(C)C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2247254922 LHRWHRWWMTUQIV-CYBMUJFWSA-N 426.294 2.438 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)C1 2247565959 ZMLISTHNJVPCKD-PNBPBRNGSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248441660 NEEUCGHQVKOPHY-UHFFFAOYSA-N 427.257 2.479 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2248482145 TTWONAGHMAQFTC-VXGBXAGGSA-N 438.252 2.107 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2250274617 YEMPASASJADSEL-TZMCWYRMSA-N 437.371 2.475 30 10 IEEE C[C@H]1OC2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CC1(NC(=O)OC(C)(C)C)C2 2254795992 LBWVGESNEAKLPD-ZJDDQXAKSA-N 440.544 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)CO1 2255526582 WMWDKRGXHPHDGR-CQSZACIVSA-N 436.289 2.406 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255629526 XBKBTSWYSKHROB-KBPBESRZSA-N 434.346 2.084 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255712649 PUDCPXBPHQLQQY-RYUDHWBXSA-N 430.232 2.250 30 10 IEEE Cc1c(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255816979 NVCKUMUXGWTSDL-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255818206 HVJPTMWEVSFDDO-GOSISDBHSA-N 426.322 2.210 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021396 IGJOVROMQDUELM-RDTXWAMCSA-N 434.342 2.487 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267133639 FAIMDVTWVQWPRI-CABCVRRESA-N 448.373 2.203 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267146028 KHQHHZDHLDOFHV-HOCLYGCPSA-N 448.373 2.426 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1)C(=O)OC(C)(C)C 2267175413 LPSUDFIYKVCCEO-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267178543 DJYQNWKSFAECIG-QWHCGFSZSA-N 444.259 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267266084 NFHIGCQWFZAEBS-LESCRADOSA-N 443.353 2.366 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267503431 DCQNSHWNGVYLEY-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267517684 WWUZWISGCJOQOG-SFHVURJKSA-N 438.381 2.456 30 10 IEEE C[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2267523846 HQKITYCCJVLKQX-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1 2267611076 NZUXUFUAIKAHMP-SFHVURJKSA-N 446.353 2.352 30 10 IEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267871340 OIVWGIXCUDFYAV-HUUCEWRRSA-N 446.357 2.009 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342578638 NMIIXRLYEWJZKM-HNNXBMFYSA-N 434.165 2.430 30 10 IEEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3cc(Cl)ccc3O)n2N)n1 21320253 AUWBFJSCLSVWPW-BLLMUTORSA-N 438.926 2.293 30 10 IEEE CN1CCC[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(F)(F)F)cc1 301294835 REELCBKIRFGOEP-PBHICJAKSA-N 435.450 2.469 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](CC)Oc2cccc(C(F)(F)F)c2)CC1 431764387 ZXEIJQJUVVZKBM-QGZVFWFLSA-N 442.482 2.492 30 10 IEEE C=CCN(C(=O)c1cccc(S(N)(=O)=O)c1C)[C@H](Cc1ccccc1)C(=O)OCC 444375824 JLHPPRYJMDMPHF-LJQANCHMSA-N 430.526 2.445 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)n1 444920739 ABQKUMLCOMSNPN-UHFFFAOYSA-N 434.410 2.984 30 10 IEEE CN1CCCC[C@H]1CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446635774 YHXGUFOKJZYEBQ-ORFBVSJDSA-N 440.592 2.455 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nnc3ccccn23)CC1 460375149 XVFXCNGPNGSFIF-QGZVFWFLSA-N 441.561 2.183 30 10 IEEE COCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466932266 HVRAAOOEJAOTRO-UHFFFAOYSA-N 428.514 2.286 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c(C#N)cn1CCOC 481474615 BWWYQCYPWXCBEV-MRXNPFEDSA-N 445.520 2.049 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 488920617 QXIADBWBUDCCPF-UHFFFAOYSA-N 443.909 2.046 30 10 IEEE COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1 507809760 VVGOANCDTXKJSM-UHFFFAOYSA-N 436.512 2.319 30 10 IEEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 507900147 AQYGAXGIPVOAPH-UHFFFAOYSA-N 427.442 2.125 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1C 532194938 JAWNKVDPGWBBDQ-UHFFFAOYSA-N 435.505 2.135 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)c1C 539265352 ATFDXNUSRCLDSR-UHFFFAOYSA-N 447.474 2.182 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 549522517 RUFIVJXFMAJXHR-FQEVSTJZSA-N 426.542 2.160 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555241704 QKCLTVBWUVFUOI-UHFFFAOYSA-N 444.967 2.155 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCOC2)n1 569596059 ZMNFMXUDNQSNHY-GOSISDBHSA-N 430.516 2.278 30 10 IEEE C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C(=O)N1c1cnn(C)c1 611840939 LBUDJYBBLAOWGX-WBMJQRKESA-N 438.879 2.446 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 647051763 LPOBDICZECZUTP-HNNXBMFYSA-N 431.537 2.196 30 10 IEEE COc1cc2c(cc1OC)CCN(CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)CC2 726586273 HQEDHGGAIBAMSA-UHFFFAOYSA-N 434.496 2.398 30 10 IEEE CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)[C@H]1CCN(c2ccccc2F)C1=O 732812352 AJVDUNAKZXWEDS-KXBFYZLASA-N 433.443 2.388 30 10 IEEE CN(Cc1nc2c(s1)CCCC2)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 747437911 CRVVUSVLAUHRCD-UHFFFAOYSA-N 432.571 2.499 30 10 IEEE C=CCc1cc(C(=O)NS(=O)(=O)c2cnn(-c3cc(C)ccn3)c2)cc(OC)c1OC 748974594 FNUYLJCZAQZOKJ-UHFFFAOYSA-N 442.497 2.440 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2ccc(-c3ncon3)cc2)c1 754773380 UUEYNACMEJTXQL-UHFFFAOYSA-N 433.243 2.489 30 10 IEEE N#Cc1c(F)cccc1OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 755251634 GHXZWXNXIDFUSH-NTEUORMPSA-N 429.473 2.221 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C(=O)O)CCOC1 757303418 CKLKXQBAVAIDQG-SQJMNOBHSA-N 448.475 2.277 30 10 IEEE C=CCCO[C@@H](C)C(=O)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1F 761162138 AXQBRVSTFUOGNG-VIFPVBQESA-N 438.271 2.161 30 10 IEEE C#CCN(C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 763294482 PALXZKVFXPXJFS-KSZLIROESA-N 426.579 2.309 30 10 IEEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@H]2CCCO2)c1 763436932 WKFKODPCMKRBHI-HXUWFJFHSA-N 447.560 2.430 30 10 IEEE Cc1cccc(C2(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c1C 765663013 YYAMMBOOKYEKAS-GOSISDBHSA-N 441.553 2.352 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3OCC[C@H]4O)CC2)cc1 768476857 SNBIEBOOHXYVEK-HXUWFJFHSA-N 441.509 2.414 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780881843 VAYNIWFWGKCUPZ-VQTJNVASSA-N 427.888 2.304 30 10 IEEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(-c4ccc(F)cc4)c3=O)n2)c1 781135177 QNXONJISJGNNIZ-UHFFFAOYSA-N 442.479 2.262 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 783010945 HWRMPRKXYCAFRZ-KRWDZBQOSA-N 445.545 2.152 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CC[C@H]2CCOC2)cn1 784123514 DRFAZPCYQCQVID-GOEBONIOSA-N 443.533 2.080 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1nc(-c2cccc(Br)c2)no1 791167254 HOHOGSJXTDOSNX-FBMGVBCBSA-N 446.261 2.032 30 10 IEEE N#Cc1ccc(OC(=O)Cn2cnc3ccccc3c2=O)c(I)c1 798583040 VOIPXPDEQYCBGS-UHFFFAOYSA-N 431.189 2.478 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 805783969 AVJGYYYQNHTDRP-FQEVSTJZSA-N 429.517 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 808327691 FKNZYDDNOQHDPK-QGZVFWFLSA-N 426.583 2.027 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc1OC 1084047164 IDPHSZKLORBNAK-UHFFFAOYSA-N 427.490 2.071 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)c1 1084563276 XTYDRRWQXNEBLZ-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE CCOC(=O)c1cnn(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)c1C 1117184480 CROHLEQBTVPRQY-GOSISDBHSA-N 449.511 2.457 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 1128961408 ADHOKJVQGDYBSP-UHFFFAOYSA-N 443.197 2.118 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1 1135817810 CSCYHCGVKZCALQ-UHFFFAOYSA-N 429.450 2.309 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2C(=O)OCC[C@@H]2C1 1137570256 RMKBLWLRIUWNDM-IEBWSBKVSA-N 440.500 2.446 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)CCc2cccc(OCc3ccccc3)c2)CC1 1144026982 MXDJNYCJEBILFC-UHFFFAOYSA-N 433.552 2.482 30 10 IEEE Cc1cc2c(cc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)sc(=O)n2C 1146833862 VKAYYCPAOSEKGZ-GFCCVEGCSA-N 444.538 2.364 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)ccc2c1=O 1148522831 KYXBADXRCMZCMK-GOSISDBHSA-N 441.534 2.271 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(CN2CCN(c3nccs3)CC2)cs1 1266438980 XDZGGVVFOHQIRJ-MRXNPFEDSA-N 434.591 2.331 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1286273289 DHTHFAOVEYGNFK-GCJKJVERSA-N 446.573 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccs1 1286300299 QWDQGINYQXBUHL-MRXNPFEDSA-N 433.541 2.466 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](COC)OC)c1 1286311549 NPALIBUTWDGGQB-PMACEKPBSA-N 441.532 2.237 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCCOC1 1286454965 PQRXXHWBJLMBEU-MRXNPFEDSA-N 447.536 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)c2ccccc2)CC1 1286489750 AQGKHCONBLHEKA-WIYYLYMNSA-N 448.571 2.389 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286666988 GDMVABBKJDERHR-YESZJQIVSA-N 425.599 2.496 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(-n2cncn2)nc1 1286767917 KMEXVMLUPNSDAM-UHFFFAOYSA-N 431.504 2.311 30 10 IEEE C=CCn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286778090 QZUVFTQDXIEZMW-FQEVSTJZSA-N 431.497 2.451 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCc1nccs1 1286783998 SRNUVXUJKCDWEY-UHFFFAOYSA-N 426.502 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@@H](C)C1 1286823571 WHVGGZIVBLTRQQ-ROUUACIJSA-N 443.573 2.496 30 10 IEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1286830591 ULSQIKRKZPOCTJ-UHFFFAOYSA-N 431.562 2.168 30 10 IEEE CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1287770160 YPIWZLGNNTVBRC-QZQOTICOSA-N 443.596 2.171 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCCCO 1288145302 IKQXZGDPGPXTCI-UHFFFAOYSA-N 439.564 2.167 30 10 IEEE CC(C)NC(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1288208345 ANMZPILOTQJMCK-QFIPXVFZSA-N 432.569 2.363 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1COCCO1 1291605950 MUXCLDBLGSJDSX-HKUYNNGSSA-N 425.537 2.190 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1300356741 FGKSUYUPXRXXAD-SFHVURJKSA-N 430.553 2.337 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300421484 IBSBFVCRJVNERZ-UHFFFAOYSA-N 445.589 2.439 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(CC)CC 1300466605 YPZBWMJHDKJUOK-ZWKOTPCHSA-N 434.585 2.386 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1300481559 APEGMDFVJDMHKH-HOJAQTOUSA-N 433.622 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(CC)CC 1300579123 NFWNFSCEVHNVMS-LJQANCHMSA-N 445.571 2.385 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)CC)CC1 1300726199 IMYZBZDPCYZFGV-HSZRJFAPSA-N 445.514 2.274 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1300760676 GAAHJLAJYGBBLS-KRWDZBQOSA-N 443.573 2.449 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300813359 GLJXMDHRYBGHBA-NFBKMPQASA-N 441.601 2.479 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc32)CC1 1301105303 GUFQDOLBRHHQSY-RDJZCZTQSA-N 431.562 2.467 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1302369729 YBPRBPNTQJIYDS-MOPGFXCFSA-N 446.502 2.398 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1302440143 WJWPJTIIGJLGTL-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE Cc1nccn1CCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1304707752 PDBJTZIQRMSMKL-NHCUHLMSSA-N 431.516 2.356 30 10 IEEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)C1CCN(C)CC1 1311629182 UIZNIZVBSDQPEX-IBGZPJMESA-N 446.617 2.346 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1314422720 NGPQYKFQOLLARV-XOMICKMZSA-N 428.537 2.325 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CC1 1315120168 BQVFFGOYCHQNFJ-UHFFFAOYSA-N 434.447 2.377 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1315626799 XHQNBIGQWDPDIM-JTSKRJEESA-N 426.496 2.234 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(SC)CCC1 1316207297 VWDHDMATUTULMO-AEFFLSMTSA-N 434.610 2.464 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1316262988 FODFXGGRLXFZQD-INIZCTEOSA-N 425.411 2.247 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1358917930 GKNATMSASAXVMR-NZQKXSOJSA-N 431.581 2.035 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1358931639 IGNIOOWBKZELNN-HSZRJFAPSA-N 443.555 2.026 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1359015304 PCZVFBQXDUAIQW-ZRNYENFQSA-N 433.597 2.349 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2([S@](C)=O)CCC2)CC1 1359038100 KOZHFYVQIGXLPA-HKBQPEDESA-N 441.601 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@]1(OC(C)C)CCOC1 1359105154 KQQYTWXJWUEBJU-YZIUBNRHSA-N 435.569 2.000 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1359136996 AYMVNSHPQKAMDP-IAGOWNOFSA-N 433.578 2.388 30 10 IEEE C=CCn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290069 FLVCFASAOKEJAB-SOUVJXGZSA-N 427.571 2.104 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1359313816 RQBAPHRTNKFBRT-IEGUWTFLSA-N 447.580 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1359333085 NXUKBOGUEISUOU-MRXNPFEDSA-N 438.525 2.167 30 10 IEEE CC(C)N1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1360143307 DPYLTKNAIWLRGO-UHFFFAOYSA-N 434.504 2.359 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO[C@H]2C(C)C)CCOC1 1360348619 YXAQJVYBIJKIAL-FAKFISEUSA-N 447.580 2.499 30 10 IEEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1453777700 ZILDOTOOHNVUBE-UHFFFAOYSA-N 442.541 2.206 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1454454688 FALAVDKTQUUMSP-OXQOHEQNSA-N 429.583 2.120 30 10 IEEE CN1CCC(C#N)(NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1458543898 BJWQFEMGKZENJM-UHFFFAOYSA-N 428.352 2.107 30 10 IEEE C#CCN(C(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1466926283 ZCWCUHYMUZIGDN-OAHLLOKOSA-N 441.435 2.453 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 1469913324 TUYCIGHEAFLKNX-KXBFYZLASA-N 429.498 2.198 30 10 IEEE C#C[C@H](CCC)NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470666480 YEBUSCAWPUQUCO-QRQLOZEOSA-N 447.580 2.366 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1473573733 IXURNHKYQKEENP-OQYZPLRDSA-N 432.569 2.156 30 10 IEEE C[C@@]1(CO)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c2ccccc2O1 1473695371 MRTYBAHIOXGZQO-QPPBQGQZSA-N 438.503 2.185 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(S(=O)(=O)NCCOC)cc3)cc21 1477135165 BLCCLDKXVKAZOW-UHFFFAOYSA-N 443.529 2.469 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1503348550 BDYAYBRAVGMWPF-GOSISDBHSA-N 449.602 2.495 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1 1503605618 PAQXOPUFISKRCD-UHFFFAOYSA-N 429.502 2.241 30 10 IEEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCC1 1504040801 BOTNMNGKMWLRIK-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE COC[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1504562211 DIAAETBRQPYTLE-INIZCTEOSA-N 436.495 2.355 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507567352 PAUDFAPYMNRGDA-UHFFFAOYSA-N 438.551 2.212 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1507631299 NTHFHRYUOQGHPJ-GOSISDBHSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)CN1CCOCC1 1507643913 VZUVVZALNWSDPK-HXUWFJFHSA-N 443.555 2.376 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1507659054 UIYGYOHYPSUQQD-UHFFFAOYSA-N 430.516 2.021 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1507680059 WQAKHYLMIJSOTN-GJZGRUSLSA-N 439.969 2.469 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCn1cc([C@@H]2CCOC2)cn1 1507712785 PHOJFBQPWUAJHK-QUCCMNQESA-N 428.537 2.006 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)N2CCOCC2)CC1 1507720267 FTJGJUJQFYCKTK-KRWDZBQOSA-N 446.958 2.214 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(=O)NC 1507793707 FPZVWOQUSKAVOH-DYESRHJHSA-N 441.532 2.270 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C 1507806695 IXORKPFYDQFPAD-TZMRYXNNSA-N 447.580 2.040 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCN(CCOC)C(=O)C1 1508106287 WUACJDTUKYPENE-UHFFFAOYSA-N 425.533 2.454 30 10 IEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1516052571 FRWJNQCOOZFIOZ-MRXNPFEDSA-N 428.493 2.042 30 10 IEEE C#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1537514429 VVGKWTWGWLNZHU-UHFFFAOYSA-N 426.494 2.479 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)CC2)c1 1537814440 XKRCAZOJKYCZHJ-UHFFFAOYSA-N 431.456 2.442 30 10 IEEE CCO[C@@H]1C[C@](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)(C(=O)OC)C1(C)C 1538803465 RIPUPJSCKHHDBH-PZPWOCDFSA-N 425.526 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1C 1538982371 FBNYHJVKDUWCBC-LNLFQRSKSA-N 445.589 2.326 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1539140948 CVGLBNVGHYQKSA-KRWDZBQOSA-N 430.553 2.465 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(=O)C1CCC1 1539145108 FGTLFGWSIWVDTD-UHFFFAOYSA-N 442.951 2.237 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCN(CC)CC1 1539154490 HUCGETLVALFSBX-UHFFFAOYSA-N 432.576 2.432 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1539180099 WQZJFSDMWNXCIM-MOPGFXCFSA-N 446.596 2.388 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539216969 YKAKLVPENJBCRV-QGZVFWFLSA-N 427.555 2.385 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)CC1 1539401252 YHQPFRYYOTXCLX-UHFFFAOYSA-N 430.578 2.433 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)SC)CC1 1539474315 OJEJWMNYBSUDQA-OAHLLOKOSA-N 441.557 2.391 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539705100 OYKMNFHISCEPQL-HBMCJLEFSA-N 444.624 2.375 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1539769883 DHKBNEFQDOAXQM-LJQANCHMSA-N 443.573 2.127 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1540163145 WCSBZUGYVUFZME-UHFFFAOYSA-N 432.546 2.072 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1 1540863702 BYRXIXVRZRENKM-UHFFFAOYSA-N 432.326 2.468 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1540872767 ZTEVYSGETMZSMV-QQMNAOGKSA-N 443.523 2.083 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)c(F)c1 1540874691 OOIYWKHEFJPGHP-UHFFFAOYSA-N 429.475 2.357 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1540901436 DHHUBLRWPDTJEB-HXUWFJFHSA-N 428.493 2.469 30 10 IEEE C[C@](O)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1541958027 XUHXPZKSGPFCFF-SZNDQCEHSA-N 429.427 2.377 30 10 IEEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978846 ZFPDPPLCKNBTKC-CZIZESTLSA-N 428.489 2.010 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1Cc1ccc(C#N)o1 1545921409 SLVUKSNTNWIBHH-UHFFFAOYSA-N 425.537 2.384 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C#N)CC1 1546394442 MPGZCZQTPPTQNM-HNNXBMFYSA-N 431.541 2.095 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CCOC)CCCC2)CCOC1 1547918448 FKSLINLNOIYTPO-XMSQKQJNSA-N 433.553 2.256 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1552733763 HWTOMDNYOOFWLY-FQEVSTJZSA-N 438.532 2.212 30 10 IEEE CN(Cc1ccco1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1554180115 DBJFOJWBIGTZDO-MRCUWXFGSA-N 433.472 2.020 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)C1 1555798662 JCQJIXNECSTQTJ-LJQANCHMSA-N 429.546 2.257 30 10 IEEE CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1557057577 DCSPUWPMJGMKGI-QGZVFWFLSA-N 435.546 2.197 30 10 IEEE C=C(C)CONC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1557326681 VYJGDPOGSWHLMX-UHFFFAOYSA-N 447.513 2.473 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)CC1 1559922335 FJHSGZOBIYGHQP-MQSCRBSSSA-N 428.577 2.190 30 10 IEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)CO)ccc1Cl 1569055773 XQXXEGWFRFHOLS-HNNXBMFYSA-N 437.880 2.475 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 1587113822 IJABKQAXVVGVMZ-MLGOLLRUSA-N 444.351 2.138 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(C)C)c1 1587561709 HGGYTXMHCDYWJX-SJORKVTESA-N 433.578 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CC(=O)N(CCOC)C1 1587603189 HOMKXVPOLWGDFO-MSOLQXFVSA-N 432.528 2.446 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@@H]1C 1593702915 ANLUTDAHJSTRHG-ZDUSSCGKSA-N 437.342 2.295 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1594485097 ZEQMWSWAUSZTFL-UHFFFAOYSA-N 433.582 2.246 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594743997 IATDOBKVTDXKOH-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1594992462 INDZVRIUKZPBEZ-MRXNPFEDSA-N 427.475 2.025 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1595162130 WYFQLUWPNOYVGZ-IIBYNOLFSA-N 431.562 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1595529933 NGWSKDKVNNFGDP-GOSISDBHSA-N 428.537 2.130 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1595785401 ZLFJKHCGTXKPIO-KRWDZBQOSA-N 433.578 2.085 30 10 IEEE N#C[C@H]1CN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CCN1Cc1ccccc1 1617186492 VKOVAHJLGJYHSH-INIZCTEOSA-N 432.311 2.355 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCc1cnn(C)c1 1617869557 BTENHWNUOXUGKX-UHFFFAOYSA-N 432.532 2.275 30 10 IEEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CN(Cc2ccccc2)CCO1 1618337068 WWFSBELWZISZTK-HRAATJIYSA-N 445.516 2.142 30 10 IEEE N#CCC1CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1620357523 IOOUSQUWNFTMLQ-GOSISDBHSA-N 448.506 2.348 30 10 IEEE C#CCN(CC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)C(=O)OC(C)(C)C 1625633847 ZBRVWNIEQQJEFZ-UHFFFAOYSA-N 428.577 2.311 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNC(=O)OCC(F)(F)F)n1 1627667436 DQMPRZMIQRNUJB-UHFFFAOYSA-N 436.441 2.027 30 10 IEEE Cn1cc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C2(CO)CCC2)cn1 1628292410 KZQCLOOSADCUKI-FOIQADDNSA-N 441.919 2.318 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H]1Oc1ccccc1 1633620256 IPMLJRAQDKMWRS-AQNXPRMDSA-N 432.473 2.478 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1Cc2cccc(C#N)c2C1 1639588485 JVSLUFLWUGYAJY-UHFFFAOYSA-N 449.536 2.483 30 10 IEEE Cc1cc(C(F)(F)F)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 1641197756 AKEXQLIZTPVQEX-QGZVFWFLSA-N 437.397 2.119 30 10 IEEE C[C@@H](CN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1642487627 HNVRIDSZRDGDIU-WMLDXEAASA-N 428.489 2.199 30 10 IEEE CS(=O)(=O)c1ccccc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1642871984 AXHHUPTVBYWTKC-UHFFFAOYSA-N 448.342 2.477 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1643300674 PULJNMACLFLZTK-ZHACJKMWSA-N 426.538 2.281 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)c1 1643521740 TUDXAQSMETUISQ-UHFFFAOYSA-N 438.546 2.019 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NC[C@@H]3CCCN(CC#N)C3)nn2)CC1 1650833720 FNZBZJUYTKQXJX-ROUUACIJSA-N 445.568 2.206 30 10 IEEE C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1651247678 NCBRWXJHBNXTOU-UVBSCNOISA-N 439.331 2.055 30 10 IEEE C#CC[C@@H]1CCCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1659142489 MESRYCJBSAFDCU-HXUWFJFHSA-N 433.574 2.006 30 10 IEEE CCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCN(CC(F)(F)F)C1 1659612258 MPKQXTIYKRXKGS-IAGOWNOFSA-N 443.539 2.415 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)OC 1663797692 YKAFRBZYNZEAGZ-SNVBAGLBSA-N 425.098 2.055 30 10 IEEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C1CCOCC1 1667052366 SVIUTTKIUHLKCX-IBGZPJMESA-N 432.546 2.487 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)NCc2c(I)cnn2C)cc1 1667589067 FTPJFEXTCPRFIJ-UHFFFAOYSA-N 439.257 2.262 30 10 IEEE CN(C)CCOCCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1680250283 ZOFYLYJRTOXGKN-UWVGGRQHSA-N 427.336 2.377 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1684300378 NIVKJILZEWCADF-CQSZACIVSA-N 433.983 2.236 30 10 IEEE CC(C)Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(C)C)cc1 1686693861 DPDQEFZHNYBFCJ-VWPQPMDRSA-N 432.590 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1689826046 HGLURDXFFZKFCF-STQMWFEESA-N 440.367 2.157 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCOC2)n1 1690109240 LKFCEYJRKHAQSI-PMACEKPBSA-N 442.564 2.081 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2cc(C)nn2C)CC1 1690133854 WLUCFGNBXQZCOL-UHFFFAOYSA-N 433.560 2.265 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690154699 WZBJRPUBLOALDW-UHFFFAOYSA-N 446.621 2.154 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1690204226 CWMFXUYDGAJFSJ-OXQOHEQNSA-N 438.498 2.496 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690304513 FGOWXIFUGZDRMV-UHFFFAOYSA-N 425.493 2.026 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690311151 DSPIKSBYGBZTGF-GCJKJVERSA-N 430.553 2.250 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)=O)CC1 1690313117 LKDGTHLYNGIEKQ-OAQYLSRUSA-N 441.532 2.488 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690331131 QVJXBQZTYKIVQR-ROUUACIJSA-N 438.960 2.473 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2COCCO2)c1 1705506005 XLJSWQISPXMOAV-FQEVSTJZSA-N 446.511 2.120 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1705506290 VENLNMCWAZXYLD-YUWJWYLASA-N 435.594 2.375 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705533837 RXSLPDZMMQKREO-MAUKXSAKSA-N 429.546 2.244 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(OC)C1CC1 1705546267 HBFFLGKKNPNKST-NRFANRHFSA-N 430.578 2.431 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705566930 RTVAQWZCBPFHGR-GOSISDBHSA-N 445.495 2.421 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1705611810 PYOYUQIWYLTWKY-UHFFFAOYSA-N 430.516 2.306 30 10 IEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705616921 JNLCYBHBKWBQJX-SFHVURJKSA-N 440.573 2.022 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(C(C)=O)CC2)CC1 1705636282 DSSBTYXLHLUHPB-UHFFFAOYSA-N 441.967 2.007 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705665940 IUEXQJSOGXRTRN-SFHVURJKSA-N 441.557 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1705699945 NJYCQSSWLCYWSN-JZXOWHBKSA-N 435.550 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](COCC)C1 1705936513 SATZYJGJWGSCII-ZWKOTPCHSA-N 426.583 2.373 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nc2c(s1)CCCC2 1706603078 IFALZNTZOZXWRQ-HXUWFJFHSA-N 431.541 2.436 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1709462612 JFXSWMQSODZLFB-HNNXBMFYSA-N 441.536 2.298 30 10 IEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1709802476 BYKBNVWEJSJZIZ-GHTZIAJQSA-N 440.548 2.469 30 10 IEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1709802477 BYKBNVWEJSJZIZ-RXVVDRJESA-N 440.548 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(C)(=O)=O)cc1 1722298451 BVJZWKZGTAWUKQ-QGZVFWFLSA-N 440.573 2.244 30 10 IEEE C#CCCCn1c(N(C)CCN2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722339267 RVXDLEIRTFTKHH-KDURUIRLSA-N 446.596 2.231 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722358888 GNJSCWBQXVHEKV-PKOBYXMFSA-N 445.589 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC 1722397123 NEXQAVLMOMWHQV-SFHVURJKSA-N 431.537 2.086 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(C)c1 1722429147 OIEYCJZZPFUEOZ-MOPGFXCFSA-N 446.573 2.042 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1722459522 LXAKNMKXMBGSRP-QGZVFWFLSA-N 434.587 2.192 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1722542762 HJYSPAMWIRJVSN-ZDUSSCGKSA-N 442.929 2.228 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722693687 XMFUWBJXVITOKS-GOSISDBHSA-N 442.951 2.492 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722719518 VKTXLYOKHRVEDT-IAGOWNOFSA-N 442.507 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc(F)cc2C1 1722727694 PYZAAURWDULHOS-QGZVFWFLSA-N 434.537 2.475 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1740621908 QCSCUVPCXSFYCL-MRXNPFEDSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(C(N)=O)nc1 1740643403 IIXRJZBKQCCOKO-UHFFFAOYSA-N 428.496 2.089 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C1CC1 1740668882 CZCKRZYUYPEYRP-UHFFFAOYSA-N 429.594 2.182 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cnnn1C 1740681074 WWCXXWLWRSDDKF-OAHLLOKOSA-N 425.562 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740697900 PJXGZZBATCSZOK-UHFFFAOYSA-N 445.527 2.111 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)=O)CC1 1740860780 PUWCJUWAXMWMGL-UHFFFAOYSA-N 435.536 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740955127 MRYHEICXVXISSB-LJQANCHMSA-N 441.532 2.270 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1741113674 HLBZOUGJPUNACK-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1743754898 XQYHBBBYGVUUCU-KKSFZXQISA-N 427.578 2.253 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1748745243 MSLHDFQVIMDASW-DEOSSOPVSA-N 447.543 2.351 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCCS(C)(=O)=O 1748773684 BMMCBGZIMUMQLS-UHFFFAOYSA-N 428.356 2.320 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1749488121 VFPJIZSGMXMQJA-AWEZNQCLSA-N 442.511 2.396 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749606218 QRHYYAPORVKXKE-VQIMIIECSA-N 428.562 2.405 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749668656 CDENFWSFJPQECB-UHFFFAOYSA-N 442.539 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCOCC2)C1 1749703546 KEOHHHSSASFOAQ-LJQANCHMSA-N 425.533 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCOCC2)C1 1749726748 CUPXXZIHUOBFDH-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1751094150 FGCIHTNIDCQWMJ-OWCLPIDISA-N 431.541 2.367 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCOC1(C)C 1752442835 VGKFUORMDPSNRT-KRWDZBQOSA-N 429.521 2.131 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1760117617 REIZQHMCQQKJDH-RDJZCZTQSA-N 431.562 2.259 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)c1ccccc1 1760118439 DVUSNCBDDRNQKJ-GOSISDBHSA-N 448.552 2.448 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760183516 PSXZONKPDJXOQZ-RTBURBONSA-N 445.589 2.348 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1760222829 AAKVHPGYTKPWIQ-UHFFFAOYSA-N 449.555 2.186 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)c1ccccc1 1760362889 YODCXIBUNZTRJO-QGZVFWFLSA-N 431.562 2.219 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760515857 GYYFSUWEOMLTQH-KRWDZBQOSA-N 442.539 2.124 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1760546559 QRAZZHRSMLGNBD-IFMALSPDSA-N 439.608 2.071 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1762050641 HLLVTTUZFBPVLP-KRWDZBQOSA-N 426.521 2.260 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1764178700 ALPCFMHNPRLODL-UHFFFAOYSA-N 447.547 2.241 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1767420410 CBFUOMARCAGCGG-GOSISDBHSA-N 442.545 2.193 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1769566527 DTDKJLQVNSWLAO-SIKLNZKXSA-N 437.592 2.456 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CC=CCC1 1769841253 AAHNOYZGTIBCQM-UHFFFAOYSA-N 438.532 2.345 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCCSC2)cc1 1770737983 ASHBOBPWDZOSCZ-IAGOWNOFSA-N 426.546 2.184 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)CC1 1770755078 SFIYGUJWLTVICM-UHFFFAOYSA-N 428.562 2.343 30 10 IEEE CS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1771357026 DMQBHMRPRKPOFG-UHFFFAOYSA-N 429.546 2.195 30 10 IEEE CN1C[C@@H](CO[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)CC1=O 1851325256 DFTCESHLABTQRY-ICSRJNTNSA-N 428.510 2.274 30 10 IEEE C[C@@H]1CC(=NC(=O)CNS(=O)(=O)c2c(F)cccc2F)NN1c1ccc(Cl)cn1 1853236719 CDCOWMSEJXPFLZ-SNVBAGLBSA-N 443.863 2.020 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(CCC(F)(F)F)CC3)CC2=O)CC1=O 1855589655 BLCYIKZQZXCPNL-IAGOWNOFSA-N 429.483 2.451 30 10 IEEE N#Cc1ccnc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4CCCS4)C3)CC2)c1 1856954150 LOMXQOURZBMLMV-RBUKOAKNSA-N 428.558 2.315 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccccc3C(F)(F)F)C2)CC1 1857036867 PJANGOQTTCEOKH-AWEZNQCLSA-N 443.447 2.259 30 10 IEEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)C1(C)C 1857090988 DPYVTVAUHWIBKZ-UHFFFAOYSA-N 439.603 2.174 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 1860924802 JYDYBZPOJIYVDC-QFIPXVFZSA-N 435.524 2.274 30 10 IEEE C=CCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863532082 ZVYUSHIRZHRVMY-UHFFFAOYSA-N 431.901 2.043 30 10 IEEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccc(C(=O)OCC)cc1 1872628515 YYDFYWSEBNCMIX-UHFFFAOYSA-N 428.445 2.007 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1892122952 QMQJHKJXZHMANU-UHFFFAOYSA-N 431.474 2.006 30 10 IEEE C=CCN(CC(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1993456922 MGLWHXHVSHAGFQ-NRFANRHFSA-N 427.542 2.288 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2009961298 GYIFDADWILZCKH-ZWKOTPCHSA-N 432.521 2.275 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2174786890 OHKBVUIJYUZGQW-WOJBJXKFSA-N 429.498 2.062 30 10 IEEE Cc1cnc(C(=O)NCCNC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2243381730 MDKSEPZCLBCKKL-UHFFFAOYSA-N 439.321 2.345 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2244604864 HQOXPQGFIQXQKR-UHFFFAOYSA-N 425.526 2.040 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619862 SVNNXQRZBOYSCT-CQSZACIVSA-N 434.346 2.180 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2255698484 QJBSHZHQMFTDPD-CVEARBPZSA-N 433.358 2.500 30 10 IEEE CCCN(CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255825158 VCOCNKDSPCTLSE-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255869400 ATAGYSYGBKIKKE-GASCZTMLSA-N 431.342 2.414 30 10 IEEE Cc1c(C(=O)N(C)CC2(NC(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266994651 XPDKSYDJZPHZQG-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2267191222 ZGGLRADZAOSNPB-HOCLYGCPSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267274123 VVNMCIHIOINEEC-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267479895 RIQCCBSVTLQXGI-YXJHDRRASA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267589477 AOUGQZSGQKEEGI-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873558 QIVJWDSFIWYDME-JOCHJYFZSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268791909 AUEXHVDSXBFYSE-HZPDHXFCSA-N 447.341 2.392 30 10 IEEE Cc1ccc(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278704564 VEEACUVABKLBCP-SFHVURJKSA-N 448.369 2.186 30 10 IEEE Cc1ccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 2296939448 BLZOSXNEUAYKAC-IBGZPJMESA-N 426.425 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2300340847 VMSYUKXDTHKYII-KGLIPLIRSA-N 435.355 2.276 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CCO)COCc1ccccc1 2320450251 TWYKBRKQVJEAOA-QGZVFWFLSA-N 446.378 2.448 30 10 IEEE Cc1cc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc(B2OC(C)(C)C(C)(C)O2)c1 2320561399 MLPXAEXWDJBFSB-OALUTQOASA-N 432.370 2.364 30 10 IEEE CC(=CC(=O)N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 2331915524 CRCPSMVRDVWPKY-INIZCTEOSA-N 440.525 2.355 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C 2337327688 IDYXBSIIFNXWKG-CABCVRRESA-N 448.373 2.203 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343640177 FJWYZJKBMANTSD-NVXWUHKLSA-N 449.332 2.410 30 10 IEEE COc1ccc(NC(=O)CCSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20915259 JPJGPNVFKDANHO-CIAFOILYSA-N 427.490 2.273 30 10 IEEE C=CCn1c(=O)c2c(ncn2Cc2ccccc2C(=O)OC)n(-c2cccc(OC)c2)c1=O 34694639 KWFVOPRNDBZOOB-UHFFFAOYSA-N 446.463 2.378 30 10 IEEE N#Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCOCC3)no2)c(F)c1 65076099 CKRXWHDEFOTDCY-UHFFFAOYSA-N 447.430 2.408 30 10 IEEE COc1ccccc1N1C(=NC(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@H]21 254351290 UPFYHTYAMDTRLR-AEFFLSMTSA-N 432.523 2.376 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(I)ccc2O)CC1 436768995 KETGLLMJNKQQJF-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)c2cc(F)cc(F)c2)n(C)c1=O 446169431 YBEQTLGKHBZWFF-UHFFFAOYSA-N 441.415 2.328 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(F)c1 481036103 LBJQAGMINMTVHF-UHFFFAOYSA-N 426.473 2.466 30 10 IEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508960014 IDRCHQZHVNCKHC-QGZVFWFLSA-N 436.520 2.192 30 10 IEEE COc1cccc([C@@H]2[C@H](NCC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCN2C2CC2)c1 549476257 CVIZJJFUAMHQLQ-GIFXNVAJSA-N 439.604 2.255 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)n2)c(Cl)c1 561662085 IXTDTZZMZKVYSY-UHFFFAOYSA-N 437.891 2.964 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H]2CCOC2)n1 563543176 CCVGJJJLENVNRI-GOSISDBHSA-N 430.516 2.278 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 673733826 FJPLETZYGQMLOC-UHFFFAOYSA-N 444.499 2.146 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732702029 XPFCMYMCKIXTHQ-APWZRJJASA-N 433.578 2.160 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 741251376 CAOBZCVDIVRLBH-INIZCTEOSA-N 435.523 2.299 30 10 IEEE COc1ccc(CNC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)cc1C#N 747446602 BSPRHGJARVQHGC-UHFFFAOYSA-N 432.502 2.079 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(C)(C)[C@@H]2CCCCO2)C1=O 758648044 ZWPOJRJGMALJJO-IRXDYDNUSA-N 446.573 2.448 30 10 IEEE N#CC1(NC(=O)COC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CCCCC1 768046587 NKCNNQQGIJKKOW-UHFFFAOYSA-N 438.353 2.331 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)n1 790105764 YHMKEBJMSQWEDT-UHFFFAOYSA-N 444.948 2.392 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 791793637 KUJVXJUFVQSAAB-UHFFFAOYSA-N 449.506 2.207 30 10 IEEE Cc1cc(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)n1-c1ccc2c(c1)OCCO2 798741294 NFTIMZJNSASTDQ-OAHLLOKOSA-N 435.440 2.316 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1 803196871 YTRUDINAYRPZQT-PXNSSMCTSA-N 436.541 2.195 30 10 IEEE C#CCN(C(=O)Nc1cc(C)cc(I)c1)[C@H]1CCS(=O)(=O)C1 806684119 QZOZZQHWFABTLZ-AWEZNQCLSA-N 432.283 2.254 30 10 IEEE C#CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1C)[C@@H]1CCS(=O)(=O)C1 809843872 POXNJCGETWSQAC-MRXNPFEDSA-N 426.498 2.281 30 10 IEEE C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 914680242 UZGQSACLVWYOLV-HUUCEWRRSA-N 445.497 2.146 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc(OC)c1 1084054263 NTVBVVVBTRPHLL-UHFFFAOYSA-N 430.494 2.041 30 10 IEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cn1 1084437731 GQAUBBPIDXWJCO-UHFFFAOYSA-N 431.913 2.205 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1116551007 HIGBCEGLHUHKAT-CYBMUJFWSA-N 449.356 2.431 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)OCC 1132418001 KCIKYURIXMLTBF-SMDDNHRTSA-N 427.816 2.277 30 10 IEEE COCCN1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1136648466 PVWOLEYELBGOMK-HXUWFJFHSA-N 428.533 2.183 30 10 IEEE COc1ccc2nc([C@H](C)NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 1138590356 ZJHXFVHVCPWZOJ-ZDUSSCGKSA-N 441.513 2.268 30 10 IEEE CC(C)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1(CO)CCCC1 1143901808 GGKNGZMZLHZKRF-UYAOXDASSA-N 426.517 2.457 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1155309139 HBZLNCVGSBTGRW-CLTKARDFSA-N 428.844 2.295 30 10 IEEE CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)NCc1ccc(C(=O)NO)cc1 1155846983 NKMQFTVJFQPJLI-SFHVURJKSA-N 427.457 2.494 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1=O 1156427507 XGCUMOXKFIFZGM-SFHVURJKSA-N 444.941 2.303 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1CC(CCO)C2 1175312207 LXCBGJFKYMMOSL-JENIJYKNSA-N 433.574 2.292 30 10 IEEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCCN(CCN2CCOCC2)C1 1179443565 QMAWJEJDQJAQAZ-HXUWFJFHSA-N 436.394 2.347 30 10 IEEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CCC[C@H](C#N)C3)C2=O)cc1 1197621706 IKEWNDRCWIYLMT-UEXNTNOUSA-N 442.541 2.473 30 10 IEEE Cc1c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)sc2ccc(C#N)cc12 1211509624 CHJWPZNNKKUMME-JWIGPWBQSA-N 434.568 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@]1(C)OCCc2sccc21 1286432243 BVNSQXDBGWERNC-QHCPKHFHSA-N 437.569 2.413 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1OC 1286569445 PYJQGWKCVJYSRA-QUCCMNQESA-N 438.536 2.375 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286700833 NUWSBYCHGLOFND-SFHVURJKSA-N 426.521 2.368 30 10 IEEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286702688 QWBXKBWNJJIZDH-UHFFFAOYSA-N 426.496 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)C2CC2)C1 1286797947 FFTSLFIYPLNXLN-SJLPKXTDSA-N 425.537 2.189 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@H]1C 1286799399 UVLTYWSQUURVLB-MJGOQNOKSA-N 425.533 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3ccccc32)C1 1286800015 DLYKAHKVEHUBBI-QXAKKESOSA-N 445.589 2.400 30 10 IEEE N#Cc1ccc2nc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]c2c1 1287394196 APTNAFSGGJORMK-UHFFFAOYSA-N 439.497 2.027 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOCC1 1299910126 ICEUFAUMIMKNAT-QGZVFWFLSA-N 446.939 2.058 30 10 IEEE COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1300218516 GRVUZXGLVSPDNX-QGZVFWFLSA-N 440.529 2.428 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300413620 ZEOUFXYWUSJFPF-HXUWFJFHSA-N 425.508 2.249 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300487489 KCMHZMOYMMMBOR-HXUWFJFHSA-N 441.601 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C)n(C)c1=O 1300561367 OUQZLSBHWAUTMN-UHFFFAOYSA-N 445.523 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1301586982 LBRRPODYHNHKRC-PZJWPPBQSA-N 429.590 2.500 30 10 IEEE CS(=O)(=O)NCC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1302491257 QMRJICSFWLHGPY-UHFFFAOYSA-N 446.577 2.289 30 10 IEEE COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)NC1CC1 1304193615 JMQKVRKFZYNQLX-HXUWFJFHSA-N 441.509 2.221 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3snc(C)c3C#N)CC2)cc1 1310696857 VIIVZASOCNNZPY-UHFFFAOYSA-N 433.515 2.064 30 10 IEEE COc1ccc(CN2CC[C@@H]2CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1312468778 HEOPMBGBQIJTMP-NLWGTHIKSA-N 443.548 2.328 30 10 IEEE CCOc1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)c1 1314207564 ACLCWONZKNUPDE-SIKLNZKXSA-N 427.505 2.106 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1C[C@H]1C 1316205122 BRLIRGNVSVTDGT-LMMKCTJWSA-N 425.537 2.251 30 10 IEEE CN1CCN(c2ccncc2NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1356615605 CMERXBZBXZXJBO-INIZCTEOSA-N 438.919 2.350 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc3c2NC(=O)CO3)cc1 1357544835 SXRZYCVLLCFEFL-QJOMJCCJSA-N 428.470 2.083 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccnc1OC 1358945991 CXVGTMMWMQTEHU-UHFFFAOYSA-N 429.484 2.196 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(S(C)(=O)=O)CCCC1 1358982763 JWSKSOYFPBVUQO-UHFFFAOYSA-N 444.532 2.426 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OC)C1 1359050203 JLZYCAQRMHEGAA-MRXNPFEDSA-N 448.618 2.138 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359271831 FFPIKAXYUBQICN-LVCYWYKZSA-N 436.578 2.087 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359297413 PKNVPPBSLWMRMD-YGKZAACZSA-N 441.532 2.029 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1 1452145484 DESZWJZYBOAMDM-BRWVUGGUSA-N 449.573 2.457 30 10 IEEE N#C[C@]12CN(CCC(=O)N[C@H](c3ccccc3)c3cccs3)C[C@H]1CS(=O)(=O)C2 1460879161 HMRVMXWBQJJOHK-IOMROCGXSA-N 429.567 2.214 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN(c2ncccc2F)C1 1463281698 FLMFHOOFYVDLHR-CYBMUJFWSA-N 425.283 2.412 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(C(=O)OC)CCC(C(=O)OC)CC3)n[nH]2)c1C 1466089682 ZXRPWGYIAYFBAP-UHFFFAOYSA-N 443.504 2.081 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(Br)cnn4c3)C2=O)cc1 1467706897 KVCNSYIUHJONPP-KRWDZBQOSA-N 438.285 2.499 30 10 IEEE C#CC[C@@H](COC)NC(=O)N(CCN1CCOCC1)Cc1sccc1Br 1470959273 LABICOAEIDSDDB-HNNXBMFYSA-N 444.395 2.393 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C1=O 1471079577 UVDHWDKARLJBNC-HXOBKFHXSA-N 426.517 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)CC1CC1 1507662473 JOIFKUFKSIXWRI-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1cccc(N2CCOCC2)n1 1507666265 CZIMUCUIAWDEIS-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)cn1 1507687678 RGOWEHFJPQCCDB-UHFFFAOYSA-N 427.509 2.280 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1507893491 JHMRJVFOSAIEPD-JOCHJYFZSA-N 448.637 2.027 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507957163 DEFCMNQUUPKSAZ-CJNGLKHVSA-N 449.353 2.343 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507968118 QEDSPEIUJAPJGW-GOSISDBHSA-N 430.553 2.295 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@H](C)O1 1514177625 DDEQVOGSVYQRIC-PKOBYXMFSA-N 441.532 2.274 30 10 IEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1514389929 RSXYJWDENUDSTI-AUSIDOKSSA-N 438.532 2.212 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)c1ccccn1 1519448381 IBUKWHMIYMUYOR-LNLFQRSKSA-N 426.521 2.104 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1533174188 IPPFAGRVFWECEH-CMJOXMDJSA-N 449.515 2.273 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1 1537491579 IXFAGQIRANWVAS-NRFANRHFSA-N 426.542 2.235 30 10 IEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539225125 LZTVJPRDUQXUEH-SJLPKXTDSA-N 441.557 2.012 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@@H](C)C1 1539402669 FZMWINBQHIATCH-FQEVSTJZSA-N 436.560 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCOCC1 1539403314 QPXPARXJUWORDN-UHFFFAOYSA-N 432.956 2.190 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1CCCO 1539533283 NQPDMSQNWQFCQY-AUSIDOKSSA-N 430.597 2.035 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539752710 XBXFXRLBDJZFNY-LJQANCHMSA-N 446.621 2.385 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539790267 FYVUKNXUNUCLRX-MRXNPFEDSA-N 437.895 2.101 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)N(C)C)CC1 1539884080 CWFMJJPRAXXBFK-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CC1 1539890308 MUPYBSIFTNPHAJ-IBGZPJMESA-N 449.621 2.375 30 10 IEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540027502 YVFBPTKBCIWSFC-KRWDZBQOSA-N 449.577 2.017 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1540929861 OIJZUWLCVGPSBL-UHFFFAOYSA-N 433.530 2.083 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1542348741 NHYZNAPOQFWHOM-KZNAEPCWSA-N 438.569 2.353 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCCCC2)cs1 1542925697 DPCGXJPEASKXAI-LPHOPBHVSA-N 429.594 2.485 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1555465537 UXOXNAXSXXBKBB-FQEVSTJZSA-N 440.548 2.066 30 10 IEEE COCCCN(c1nnc(C2CCCC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1555489461 LAZUBJHYRZBKIA-QGZVFWFLSA-N 447.561 2.479 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cc[nH]n1 1556106998 ZYZNWPDECQVNFG-HXUWFJFHSA-N 436.468 2.210 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1556687606 LXXYPENVADWEDC-GIWBLDEGSA-N 433.508 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 1556823748 JGUQJAVPFQSTHB-KRWDZBQOSA-N 430.505 2.085 30 10 IEEE N#C[C@@]1(C(=O)N2CCC(n3nncc3I)CC2)C[C@H]2CC[C@H]1C2 1557499324 FUEYDMSHCAFUOF-MKBNYLNASA-N 425.274 2.376 30 10 IEEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)COc2cccc(Br)c2C#N)C1 1558025248 ICZBCOVTNRCLJR-HNNXBMFYSA-N 434.212 2.369 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3ccsc3C#N)CC2)cs1)C(N)=O 1587275842 YNDIMVPJRSSUON-AWEZNQCLSA-N 435.600 2.324 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1587888910 PAWQQZYKNDSAFY-WOJBJXKFSA-N 439.560 2.436 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588060111 ZSTRFRKFCZPCHG-NZQKXSOJSA-N 444.601 2.401 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1588065167 VNXGJHFWJHTRMY-GOSISDBHSA-N 432.521 2.053 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCN1CCOC1=O 1588482690 VZJURLNBFIVNIG-UHFFFAOYSA-N 437.479 2.300 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C/C=C\CC)CC1 1588750325 CKKVBQZGGPEEBX-SREVYHEPSA-N 441.605 2.268 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1588811128 AHMCRSWZCPBZTC-RTBURBONSA-N 425.533 2.013 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC#C)CC1 1589036818 OVCCDKNTMNFHBT-UHFFFAOYSA-N 439.585 2.474 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nnn(C)n2)CC1 1594436639 AYMSAPOYQGSGJR-INIZCTEOSA-N 443.556 2.324 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCN1CCCS1(=O)=O 1595100686 SBJAPCMEWMUHDY-UHFFFAOYSA-N 440.573 2.330 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1595544874 NLHOOWXEPDEJSN-PKOBYXMFSA-N 429.521 2.253 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1595613659 GPTVVYVIPMSIAY-UHFFFAOYSA-N 425.533 2.454 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1595784771 KKOPJZUMZQAIDE-OAQYLSRUSA-N 445.520 2.111 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2ccccc2)COC1 1598111532 UPEDKHLPIALVOQ-UHFFFAOYSA-N 427.526 2.327 30 10 IEEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1612780558 BOQVHBXKLQZVFH-LMMKCTJWSA-N 434.610 2.041 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1615884755 GDNSNAFVYQQRLO-TZIWHRDSSA-N 429.613 2.013 30 10 IEEE C#CCN1CCCN(C(=O)c2cnn(-c3ccccc3)c2I)CC1 1618036073 XBJHAHIVEXAQJA-UHFFFAOYSA-N 434.281 2.258 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc21 1618180054 FBCVPTDPJKTRMX-UHFFFAOYSA-N 432.528 2.133 30 10 IEEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1618487447 DQKXKMLXXOAGRR-HSZRJFAPSA-N 436.539 2.285 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCn1cc([C@@H]2CCOC2)cn1 1619980085 BWVQLRZYAYQQEM-PKOBYXMFSA-N 443.552 2.143 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)c1 1623705094 VTNYXCRHNUAGCQ-LJQANCHMSA-N 447.557 2.215 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(Nc3cc(OCC)ncn3)CC2)c1 1624753041 YVBAKFVXWJYENB-UHFFFAOYSA-N 442.541 2.389 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 1625656622 CUMDVAGLDBKVMM-UHFFFAOYSA-N 432.465 2.185 30 10 IEEE CN1C(=O)CS/C1=C\C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1627454039 FBBOCPCAPROABI-YQYFLZKSSA-N 435.347 2.205 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1628192455 WGVZQMTYVLEVIO-TWGQIWQCSA-N 438.427 2.219 30 10 IEEE N#CCCn1ncc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c1-c1ccccc1 1630352894 VJHFQNIKJMADOF-UHFFFAOYSA-N 427.461 2.180 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1634985687 VPHCMUYNWAIBGT-UHFFFAOYSA-N 447.536 2.244 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2ccccc2OC)CC1)c1cc[nH]n1 1636398625 DSEGMXWFKSQLIA-INIZCTEOSA-N 428.489 2.498 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 1636794729 QEFJILLVRPPWSE-ZVDNPCSMSA-N 446.548 2.399 30 10 IEEE COc1ncc(Br)cc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1637012075 KILFFVXMWQLOOP-UHFFFAOYSA-N 431.294 2.151 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1638075706 SXKGOLAUENXDAY-KRWDZBQOSA-N 435.546 2.070 30 10 IEEE C#CCN1CCC[C@H]1C(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1638380138 XNUGXCXWMHEPSG-ACRUOGEOSA-N 430.593 2.159 30 10 IEEE CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1638844367 DQVGSZQSOXAKAM-KRWDZBQOSA-N 431.968 2.097 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)C2=O)cc1 1638905774 BXLKXEKAHVQSKA-DVECYGJZSA-N 446.511 2.132 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H](O)c2ccnn2C)nnc1-c1ccc(Cl)cc1 1639195431 CHQMOEXDAWTBNX-INIZCTEOSA-N 432.937 2.460 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)OCC 1643588938 GLNPMWKDPUVWSO-INIZCTEOSA-N 430.954 2.471 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)OCC 1643588944 GLNPMWKDPUVWSO-MRXNPFEDSA-N 430.954 2.471 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CC[C@](O)(CC#N)C3)c2)c1 1643608974 CYHODTGFSFKRRP-JOCHJYFZSA-N 425.441 2.152 30 10 IEEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1648931999 MHPUUKJREJKGSZ-SNVBAGLBSA-N 428.312 2.224 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1650974520 ICRIHUBAOJRJFH-CQSZACIVSA-N 430.286 2.185 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C[C@H](O)CC1(C#N)CCC1 1654175028 WHCGXMXDZBFNTR-ILXRZTDVSA-N 433.471 2.284 30 10 IEEE COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1F 1666197761 ANEMJYWPJIZLLL-KRWDZBQOSA-N 435.452 2.323 30 10 IEEE C#C[C@@H](NC(=O)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(C)C)c1ccc(F)cc1 1674014962 NEPPCPJFVYEWJD-IFMALSPDSA-N 441.503 2.388 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1674143116 DMOSUCWZMDKEFV-UHFFFAOYSA-N 429.404 2.393 30 10 IEEE C=CCCC(C)(C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1674219590 XAPNCVXNQNLEQJ-UHFFFAOYSA-N 438.594 2.191 30 10 IEEE C#C[C@@H](NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCOCC1 1680450779 MUWLEXAJXCLYRX-MRXNPFEDSA-N 434.436 2.087 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](COC)C1 1689878194 ABWMVLBKNNFRSE-GOSISDBHSA-N 445.589 2.472 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1690075917 XTCPXIWLUYKECS-MSOLQXFVSA-N 433.553 2.268 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1690113489 KYPRHPOFNFJTOV-XMMPIXPASA-N 439.560 2.051 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN(C)CCCOC)CC1 1690116041 ZYFICVITJITPNK-UHFFFAOYSA-N 430.984 2.322 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1690122359 OSFDZWSXWHCNOD-MOPGFXCFSA-N 442.951 2.026 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCOc2cccc(OC)c2)CC1 1690135538 YTUNPZUHBXDGCD-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)C)CC1 1690156535 XXRJHPYLXSGJTI-UHFFFAOYSA-N 427.578 2.259 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)N2CCSCC2)CC1 1690372334 KBCMHPXDALLUBR-UHFFFAOYSA-N 448.618 2.184 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN(C(C)=O)C1 1690624474 SIGOLDSROQYBGT-FQEVSTJZSA-N 429.569 2.037 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2c(C)cccc2C)CCOC1 1696084968 CIICTSVHPCLNTE-WMZHIEFXSA-N 441.532 2.355 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1697707717 FJPWWQFSAXLQHF-LJQANCHMSA-N 440.548 2.173 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705523061 RBFNIOUQNKPHDF-QGZVFWFLSA-N 430.553 2.373 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)c1cccc(O)c1 1705554001 HAZVGBRZBUQJMW-UHFFFAOYSA-N 443.511 2.112 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705726734 CAUNOAFDVFOVFP-QGZVFWFLSA-N 436.607 2.214 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CC1 1705863960 MEYIFLLRZFDPCH-UHFFFAOYSA-N 437.591 2.248 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COCC)C1 1705904289 LOENWMWCXFGTDV-FXAWDEMLSA-N 441.532 2.346 30 10 IEEE CC(=O)N1CCC(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1705967498 BQFBUSGJGWVNAR-OAHLLOKOSA-N 448.531 2.448 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722371541 JZBVJXHFMBKFFG-REWPJTCUSA-N 444.601 2.241 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1722432884 IDTAMOLZCATYNZ-HUVFLSCGSA-N 445.608 2.422 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722459341 IFNLEIBBGQEYAX-SFHVURJKSA-N 427.578 2.311 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1722672150 LANYGTNQCQVOPF-HNNXBMFYSA-N 439.488 2.403 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCCC[C@H]2C1 1722701340 NSEUZRKWNSACFX-FQEVSTJZSA-N 438.576 2.049 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722743718 HPWQLIACAOILNF-IAGOWNOFSA-N 443.639 2.157 30 10 IEEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1727969812 GETIWHLPESEBMG-LJQANCHMSA-N 438.532 2.260 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@@H](C(F)F)N1CCOCC1 1740603877 JAZPAMUDYJJQRJ-SFHVURJKSA-N 449.502 2.388 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740624161 CVYSIHKPVQQGMM-MJGOQNOKSA-N 448.589 2.388 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1741795885 BWZMYJQBCHTHCK-HNNXBMFYSA-N 441.927 2.282 30 10 IEEE CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1743878643 DHWNAFFQLOQNEM-QFBILLFUSA-N 446.515 2.040 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)O1 1744218682 LNNLAOATENREPX-WHSLLNHNSA-N 444.561 2.346 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCS(C)(=O)=O 1748776871 SWDIOQTWWLZUSW-UHFFFAOYSA-N 429.315 2.351 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748818734 FDSCUQYKCHZDRO-HBFSDRIKSA-N 427.574 2.327 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ncccc1F 1748914895 PPRVRMLIOHELCO-UHFFFAOYSA-N 443.504 2.421 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1(C)C 1749221571 MUNODJSPZRYIMG-GOSISDBHSA-N 426.521 2.115 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1749226048 MUJQCZIAQQRICA-KRWDZBQOSA-N 448.568 2.315 30 10 IEEE C=CC1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 1749342849 QMROQZMQUNDYMU-UHFFFAOYSA-N 427.640 2.258 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 1749683045 HRRFXDXAIZGEMV-LJQANCHMSA-N 431.562 2.204 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(CC)C1 1749725458 VEPVAWMLPVRJBD-OAQYLSRUSA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2ccccc2CC1 1749736782 PGAMHBJLRYPKFS-UHFFFAOYSA-N 437.569 2.470 30 10 IEEE CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1750798035 LEACZHOYYQJERA-IRXDYDNUSA-N 434.541 2.361 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H](C)N2CCCCC2)CCOC1 1751027551 XGVXLCZCDVBNJM-MIZPHKNDSA-N 446.596 2.312 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC=CCO1 1760100671 CXFVMRPRFKOTSJ-WBVHZDCISA-N 428.562 2.350 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760184666 YJDVMRIGDUDFBA-IRXDYDNUSA-N 446.504 2.303 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1760188912 RBLDGMJWYLGHIA-MOPGFXCFSA-N 446.548 2.295 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1760224767 YNQIMRNBXWGTGQ-IBGZPJMESA-N 438.532 2.042 30 10 IEEE C#CCN(CC)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CC(OCC)C1 1760231403 PYIDPJDGLDFNOI-UHFFFAOYSA-N 426.565 2.013 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)NC(C)C 1760244091 XEYKSDRPCSZKEF-LJQANCHMSA-N 449.552 2.236 30 10 IEEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760378689 SZUKLQVVACFIJE-UHFFFAOYSA-N 444.923 2.439 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760449153 CDUCEWTYOGWLMX-UHFFFAOYSA-N 427.553 2.411 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760517034 AIVUWEJNVUMFNQ-SFHVURJKSA-N 441.923 2.212 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@H](C)C1CCC1 1760518622 XXYYMXUDZOVGID-MRXNPFEDSA-N 435.536 2.238 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)C1 1760537842 QUUNRUMLYJKMSM-DENIHFKCSA-N 430.553 2.190 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)COC)C1 1760544692 FLNSNQVFYFSWLG-IAGOWNOFSA-N 448.593 2.302 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760559717 SAPJCWNFTMRIFN-SFHVURJKSA-N 446.625 2.460 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1761362526 CVICSBWBHJZZOZ-RHSMWYFYSA-N 427.534 2.038 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1762675746 TZWVAAPGHXIIBK-IBGZPJMESA-N 440.548 2.311 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@@]2(CCOC2)O1 1763090370 VVOCESZBWSYMOK-QVKFZJNVSA-N 433.459 2.483 30 10 IEEE C[C@H]1COCCN1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1763239759 CJASRSJYUYOQDP-FBAVSBLXSA-N 434.560 2.359 30 10 IEEE CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N1CCCC1 1764253888 AUSZLJSWHLRVOE-OALUTQOASA-N 434.610 2.185 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1OC 1765012704 FQFMAUJHUYTNIB-RLLQIKCJSA-N 438.532 2.259 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1766159758 JGPGRZOUUYLMPH-SSXYFDDISA-N 447.580 2.379 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1767916407 GCGSYLXEZUADTG-DLBZAZTESA-N 427.530 2.481 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1768114736 XWGHMOPRORCVFP-WOJBJXKFSA-N 439.564 2.436 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1770412198 FZQOIRYWRAYCJX-RTBURBONSA-N 440.548 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCOC2)[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772794172 BQWUDZJFXMXTDC-AOMKIAJQSA-N 430.457 2.405 30 10 IEEE Cc1cccc(C)c1N(C(=O)c1nccnc1N1CCOCC1)C(=S)N=CN(C)C 1853112953 WKRRLCGLGYUGFN-UHFFFAOYSA-N 426.546 2.452 30 10 IEEE N#CCC(=O)N(CCS(=O)(=O)N1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 1853457663 HJKPJDVWZWCILF-NRFANRHFSA-N 432.590 2.209 30 10 IEEE CCOc1ccc(S(=O)(=O)N2C[C@H](OC(=O)CCc3ccc(C#N)cc3)CO2)cc1 1855443379 QQIWGUCVOPZJQV-IBGZPJMESA-N 430.482 2.437 30 10 IEEE CCC[C@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1=O 1855825306 IEPYLHYTAZJBDO-ZWKOTPCHSA-N 437.493 2.445 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN([C@@H](C#N)c2cccc(Br)c2)CC1 1857957598 VUCTWAOOQVIRKZ-INIZCTEOSA-N 438.351 2.360 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)c1 1858995211 CTCUSFVQTAIQLN-UHFFFAOYSA-N 440.403 2.290 30 10 IEEE C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(-c3ccccc3)c(O)n2)CC1 1859430331 WQESMQHBAUDTFH-INIZCTEOSA-N 429.484 2.265 30 10 IEEE COC(=O)c1c(C)oc(NC(=O)c2nn(-c3ccccc3Cl)c(=O)cc2O)c1C#N 1859647748 GZZJEDACLIEKNN-UHFFFAOYSA-N 428.788 2.404 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1C 1862406914 ZZIKJLQKWJBKDP-SFHVURJKSA-N 428.397 2.188 30 10 IEEE COc1ccc([C@@H](C(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)C(C)C)cc1OC 1866992807 XEWBCVWHPHKJHS-RXVVDRJESA-N 425.485 2.431 30 10 IEEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(C)CC2)cc1=O 1870383263 BTHCJRRQUMPGAR-UHFFFAOYSA-N 427.545 2.420 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870983046 KAFFZOSRLIUSKT-IBGZPJMESA-N 437.500 2.197 30 10 IEEE COc1ccccc1N1CCN(CC(=O)[C@H](C#N)c2nc(C)c(C(=O)N(C)C)s2)CC1 1872797294 GQICYVOEUIEARR-INIZCTEOSA-N 441.557 2.160 30 10 IEEE COc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Cl)c1O 1873529759 YQRBQUDPMDEYAF-GFKCFBEASA-N 447.300 2.070 30 10 IEEE C=CC1(Nc2cnn(CCOC)c(=O)c2Br)CN(C(=O)OC(C)(C)C)C1 1884981292 XRQCFJOICAWCAI-UHFFFAOYSA-N 429.315 2.240 30 10 IEEE Cc1c(I)cc(CN2CCNCC2)cc1B1OC(C)(C)C(C)(C)O1 1887521447 NWQGPQTVGQRQDD-UHFFFAOYSA-N 442.150 2.304 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccccc3Br)CC2)CC1 1889383637 JFRIVKGFTXVWFK-UHFFFAOYSA-N 448.405 2.250 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 1890292415 JWBMUUVNFNVHBO-UHFFFAOYSA-N 442.560 2.458 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)C1 1891694743 SSZFIAFUCFRCQT-CJNGLKHVSA-N 431.341 2.397 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2010227869 ULJAIZWZYFJAGZ-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2060625497 KXYDSQDBZUYVKZ-IKGGRYGDSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060823181 FIILWHRNCLWLER-VQTJNVASSA-N 438.532 2.082 30 10 IEEE C[C@@H](COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)N1CCOCC1 2186850907 UOWDNKKOXUTCOV-ZDUSSCGKSA-N 427.148 2.243 30 10 IEEE CO[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@@H]1OC 2199571540 UKWDLGXDVAMNNB-GJZGRUSLSA-N 427.148 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247825953 LNDAKGURTLYSSE-UHFFFAOYSA-N 441.334 2.131 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247834148 ROLSHIOPDYMXIT-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255534005 AZKWWBVVUKYHPD-IPYPFGDCSA-N 449.382 2.428 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2255599853 IESLWEMUVYXIGW-NWDGAFQWSA-N 444.284 2.343 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255671928 YNJVQQBBLPVOPB-UONOGXRCSA-N 434.346 2.131 30 10 IEEE Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267139236 DBXNSUAMJOCUSV-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267140714 DSIHVDLAFUPFHX-VMZNBEPHSA-N 446.357 2.084 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267191533 DRVRUXCHGXIZLU-SFHVURJKSA-N 438.381 2.313 30 10 IEEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267268370 UBLDRVOSVGAWFT-IEBWSBKVSA-N 436.365 2.416 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CCOCc2ccccc2)CC1 2267271835 UWTYECANAPFSAL-UHFFFAOYSA-N 440.353 2.231 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)COC1(C)C 2267276668 FVFRJABZVONMGQ-OAHLLOKOSA-N 449.357 2.416 30 10 IEEE Cn1cc(C(=O)N2CCC[C@]2(C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267506302 VXVVYKQUGIQXFQ-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267547731 AWWZXDZNWXTSGF-OAHLLOKOSA-N 448.373 2.493 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267587168 UHFCYDKKMLNKIR-QAPCUYQASA-N 443.353 2.462 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267818387 FCDKAZAQHSQAGB-MOPGFXCFSA-N 447.385 2.496 30 10 IEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267879852 MBNDMBQAVBGBJC-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE C[C@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268643898 ZYUBYURTMLQGHA-INIZCTEOSA-N 448.369 2.392 30 10 IEEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1Cl 2270532082 RLCMXQVYZRYZNH-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2273766358 AIPZUSCYHJXGIF-GOSISDBHSA-N 448.369 2.450 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2334261496 UDNLQDUQHKLGNF-IIAWOOMASA-N 446.357 2.084 30 10 IEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1 21328281 RRSAVLRDUJBIMX-ZMOGYAJESA-N 443.508 2.384 30 10 IEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c(C)n1 102743847 SWMZPPRDSQFSDB-AGGMBTAESA-N 436.512 2.237 30 10 IEEE Cn1ncc(C#N)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 170524609 IJISNPYGRFIQQN-UHFFFAOYSA-N 429.392 2.069 30 10 IEEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 438751685 IYHOAFRFPLAIKM-ZWKOTPCHSA-N 430.530 2.075 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1cccc(C#Cc2ccccn2)c1 439399776 XVYFZGLJIFWRKV-CGXNFDGLSA-N 433.464 2.438 30 10 IEEE CC(C)[C@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)N1CCN(C)CC1 446572039 IELLEFZJEVEZEC-CBNMVNINSA-N 428.581 2.214 30 10 IEEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 465386681 GTRRGJBSLNAOGN-OALUTQOASA-N 447.557 2.381 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)nc1 474351759 CHYNQCXRAASACO-IBGZPJMESA-N 431.517 2.178 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1 479046292 NTVIMEPJWTYMMS-YWZLYKJASA-N 427.526 2.481 30 10 IEEE CCOC(=O)c1c(NC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c(C#N)cn1CCOC 481371847 PLIGHGWXLCVBRL-INIZCTEOSA-N 439.472 2.430 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)C2=O)cc1 489254850 NMYJKTCWFWOLJH-VQTJNVASSA-N 436.537 2.071 30 10 IEEE CCOc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 513907959 SIXCYCPYXACKSX-HNNXBMFYSA-N 436.534 2.262 30 10 IEEE N#Cc1cccc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)c1 514561321 YVGPDPCORKHHKJ-UHFFFAOYSA-N 436.287 2.313 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 532622690 CVAVOKXWBJBALG-RDJZCZTQSA-N 435.546 2.195 30 10 IEEE CNC(=O)c1cccc(OCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 536211236 XWYFDWAJTUQUQN-UHFFFAOYSA-N 429.480 2.194 30 10 IEEE CC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1CC(F)F 537288079 GYFCEWAPTWRWQO-UXHICEINSA-N 437.510 2.196 30 10 IEEE C=CCOC[C@@H]1NC(=O)N(Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C1=O 557368346 GLXIIYSFELWAOK-IBGZPJMESA-N 445.497 2.119 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 558306503 IANWIXMOPJZZPZ-UHFFFAOYSA-N 442.541 2.029 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@](O)(C(F)(F)F)C3)n2C[C@H]2CCCO2)cc1 559101906 NXWOQXSSBJAGEN-VQIMIIECSA-N 437.422 2.411 30 10 IEEE Cc1cccnc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCOC1 559231029 HUGHEGQBMQYPPW-SFHVURJKSA-N 430.516 2.278 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)CC2)o1 561329861 STKSJULTVDPIIA-UHFFFAOYSA-N 444.923 2.474 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Cl)cc(OC)c3OC)N2N1 588226900 MULQVJJPLBDAEQ-IBGZPJMESA-N 442.928 2.419 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccccc1CN1CCOCC1 610035623 YMFSBIFMYQYIOA-UHFFFAOYSA-N 430.512 2.274 30 10 IEEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 611836449 HWORZXWXRWTHBE-RBZFPXEDSA-N 441.879 2.239 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2)n1 619852013 PXGIYJPRRJCWBA-IBGZPJMESA-N 446.515 2.121 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 619853437 VSFKDMPTHAQNCU-INIZCTEOSA-N 434.474 2.205 30 10 IEEE CC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1ccc(C#N)nc1)Cc1cccnc1 725824123 OAXOFGWJFMMOHO-UHFFFAOYSA-N 431.518 2.454 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)c3sccc3C)sc(=Cc3ccoc3)c2=O)cn1 727417815 JSPLPWAGAGURCF-UHFFFAOYSA-N 436.518 2.464 30 10 IEEE C#CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)[C@H]1CCS(=O)(=O)C1 729336004 ZHEAHMFQTLQSKZ-KRWDZBQOSA-N 426.523 2.258 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)C)c1 730137124 DKFAHXRGBISGTA-SFHVURJKSA-N 433.578 2.300 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 731625472 YQFJZODFZFWFCM-IBGZPJMESA-N 433.516 2.146 30 10 IEEE Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706878 RBUJWMRMWTVEGI-PXNSSMCTSA-N 437.544 2.147 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2cccnc2OC)C1=O 735223534 DXXHPJNYMYNVRO-INIZCTEOSA-N 428.470 2.087 30 10 IEEE CCO[C@H](C)c1nc(CN(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cs1 742736076 MCWWAILUXLQGLU-CYBMUJFWSA-N 436.559 2.328 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 757434161 CZVGVYSSOWSFDP-SFHVURJKSA-N 440.507 2.482 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnc(C3CC3)s2)c1=O 758065747 AFSPWWUIPLQWGI-UHFFFAOYSA-N 447.541 2.271 30 10 IEEE COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)cc1 758563901 GTVCEAUVHOLHRX-MRXNPFEDSA-N 445.500 2.174 30 10 IEEE CCOc1cccc(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 760806341 VRFSADXGNORCBO-GOSISDBHSA-N 444.557 2.292 30 10 IEEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2cc(C#N)cs2)c1F 761164083 QZOPQDMCWCUUEL-UHFFFAOYSA-N 447.263 2.427 30 10 IEEE N#Cc1cccc(OCCCOC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 763947146 JKYYGHWUIZDGEL-JOCHJYFZSA-N 433.464 2.346 30 10 IEEE C=CCn1c(=C(C#N)C#N)sc(=Cc2nc3ccc(Br)cc3s2)c1=O 772278457 SPYXQRMCXDWNGO-UHFFFAOYSA-N 429.324 2.495 30 10 IEEE Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)n[nH]2)c(C)c1 778425665 FBXNNSVNTZSLRS-UHFFFAOYSA-N 448.483 2.367 30 10 IEEE C#Cc1cccc(NC(=S)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 780764214 AXJZLQXNFVCYLQ-HXUWFJFHSA-N 436.585 2.220 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(-c3ccccc3C#N)c2=O)cn1 781659856 ZVBMFFPLDIQMLH-UHFFFAOYSA-N 443.532 2.249 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1)C2=O 786536464 BZKAAUXQUOSETN-PCIUKOCSSA-N 430.892 2.166 30 10 IEEE COCCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=Nc2ccc(F)cc2)cn1 789983349 JALPODWYCBHHRB-UHFFFAOYSA-N 426.481 2.442 30 10 IEEE C#CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1C)[C@H]1CCS(=O)(=O)C1 809843870 POXNJCGETWSQAC-INIZCTEOSA-N 426.498 2.281 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 811238862 FXSASROSDMVCRS-MZNJEOGPSA-N 435.480 2.331 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(F)cc1 812935243 AHANGDDZQNXUBF-WOJBJXKFSA-N 438.507 2.095 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C)cc1F 813651442 WBLUFUVPGLPGBC-UHFFFAOYSA-N 435.452 2.442 30 10 IEEE N#Cc1cscc1C(=O)OCC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 814613286 JAQPMKGKUXBEAC-GIDUJCDVSA-N 442.478 2.024 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1116551009 HIGBCEGLHUHKAT-ZDUSSCGKSA-N 449.356 2.431 30 10 IEEE COc1cccc2c(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)cnn12 1136287734 PFNWQHVKZABQSL-NKFKGCMQSA-N 427.486 2.408 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)s1 1137160864 DGCUJGFOAGXWKS-HNNXBMFYSA-N 441.962 2.141 30 10 IEEE CN1CC2(CN(C(=O)[C@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C2)OC1=O 1142458860 BSZGVVKDELXHME-QGZVFWFLSA-N 426.473 2.056 30 10 IEEE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1154224016 PEPZDZNYWZNCMS-UHFFFAOYSA-N 431.456 2.377 30 10 IEEE COCC[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1160703745 VFHDIWXEDBIBRB-ZWKOTPCHSA-N 431.489 2.087 30 10 IEEE Cc1ccc(C[C@H](CO)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1160894889 GUJDSMNMRBMXLX-TZIWHRDSSA-N 434.496 2.100 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1219084205 HNIHQIKYEIJQTL-LBPRGKRZSA-N 432.340 2.417 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn3c(n2)COCC3)cc1 1264724342 PYSNFEAQYCTEHI-NKFKGCMQSA-N 431.518 2.259 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286351690 SMXLYNYQPMVFTB-SFHVURJKSA-N 445.589 2.057 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)[C@@H](C)CC 1286413341 IUOHCAFBPWDUTG-FQEVSTJZSA-N 434.592 2.255 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCS(C)(=O)=O 1286458020 HVKHPVHNSCMISX-UHFFFAOYSA-N 427.505 2.087 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(F)(F)F)CC1 1286473539 OVDNDLZEMXDUPW-UHFFFAOYSA-N 439.438 2.288 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286632555 MPIIFAGPGJUADE-UHFFFAOYSA-N 445.014 2.294 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1286758053 BPHZWPHUNKZLJM-INIZCTEOSA-N 446.529 2.166 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1286764053 DIUBXUYQAJJTRQ-SFHVURJKSA-N 434.562 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286817088 PKQXTWLLICGMDJ-IBGZPJMESA-N 443.573 2.137 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1287129895 IQIWQMZNDGFLIF-SFHVURJKSA-N 435.532 2.241 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCCC2)CCOC1 1288301034 JAGWPXBSTOTRTI-JOCHJYFZSA-N 430.553 2.104 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn2ccccc12 1295876381 ABMWUTVJFIKRSH-UHFFFAOYSA-N 449.540 2.384 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300498441 KFLXOXSXLFRSBI-HXUWFJFHSA-N 439.516 2.078 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1300498836 NJUGOXWWLOWHEI-RBUKOAKNSA-N 445.614 2.176 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1SCCc2ccccc21 1300664356 BUQFVEPOXKJYMI-OALUTQOASA-N 425.558 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCC(OC)CC1 1300665353 ZBXLRBNDXIBNES-UHFFFAOYSA-N 428.581 2.259 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCNC(=O)C2CCC2)CC1 1300707412 YDVCZUSNWNXNRX-UHFFFAOYSA-N 434.588 2.125 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@H]2COCCO2)CC1 1300707702 HWQQVRJKKHAJQL-QFIPXVFZSA-N 439.560 2.035 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1300709986 NOYUWFMPVMMFDA-JPYJTQIMSA-N 427.524 2.303 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1301064595 YDJFPWJKSYYWKV-IBGZPJMESA-N 438.580 2.108 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NC)CC1 1301240683 FRJXJCCSABUERF-UHFFFAOYSA-N 428.493 2.408 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C1CCCCC1 1301281079 ARZXZQJOXDTLTA-UHFFFAOYSA-N 435.536 2.334 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301282831 LUQUYULDVFCYKE-INIZCTEOSA-N 426.546 2.397 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301508984 XYTASBYJEFGOCI-GOSISDBHSA-N 444.605 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1301535243 JODDKVVKTQHYLH-QPHCHLROSA-N 445.589 2.124 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccsc2)C1 1301567138 UPVFMSCLSHSHTR-DYESRHJHSA-N 431.562 2.151 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1301809256 ONUNERLHIOFBHX-YVHKJVDXSA-N 432.569 2.041 30 10 IEEE CC(C)Cc1nnc(N(C)CCc2nccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1302855075 RTHLFWCRUZOORH-VHEBQXMUSA-N 429.550 2.138 30 10 IEEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1310075169 LCFBUDVIMPQQQG-UHFFFAOYSA-N 426.539 2.183 30 10 IEEE Cc1ccnc(C2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n1 1334418471 DXOMCFINVHCPQW-IBGZPJMESA-N 432.484 2.268 30 10 IEEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)no1 1354942482 KLBZCBHLIGMTOW-XLNRJJMWSA-N 434.474 2.307 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COc2ccccc2)C1 1358920363 XSUDWLQBYJMJEY-MSOLQXFVSA-N 431.562 2.207 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCOC[C@H]1C 1358970294 KYFKTYPCNPAJRI-RTBURBONSA-N 425.508 2.351 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1359011446 XWTFMTKFKCTZHQ-UHFFFAOYSA-N 438.557 2.022 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cnn(C)c1 1359016879 OLLCVOOAZIATGX-FQEVSTJZSA-N 435.507 2.374 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccnc(OCC(F)(F)F)c1 1359022879 POSWVEQLCATANY-UHFFFAOYSA-N 447.421 2.206 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)c(F)c2)CC1 1359027975 BWLCANPUCSBWGP-UHFFFAOYSA-N 430.503 2.278 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359121965 QBULNTUEOWNOSG-PMACEKPBSA-N 430.597 2.271 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1359222685 OYOPSQRROCRWPL-KGLIPLIRSA-N 439.504 2.260 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccccc2O[C@@H](C)C1 1359291293 LDXOEKSJBKDUMY-INIZCTEOSA-N 440.548 2.286 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1359300023 RQBQWBGSWCHZJV-JPYJTQIMSA-N 425.533 2.226 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359300452 BZLZAUFQEVKNCB-UHFFFAOYSA-N 431.610 2.256 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1359306607 LPQXKAPDUVSHAU-PKOBYXMFSA-N 440.548 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C2CC2)C1 1359315541 WORTVDDUJYJSOB-SFHVURJKSA-N 426.477 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(C)C)C1 1359321636 JRBVZZKTPHNXLN-NCXUSEDFSA-N 438.594 2.023 30 10 IEEE CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1436498746 HNNJUNSJJRSXKW-LJQANCHMSA-N 426.542 2.402 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1438642829 MYRDLXALWUTXLK-FQTAANOTSA-N 430.508 2.362 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C 1451185028 UVYXQQKWHZBHAZ-CQSZACIVSA-N 426.311 2.359 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1454357950 LEKYXZAGIVZICW-KRWDZBQOSA-N 444.509 2.417 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(F)(F)n3cc(-c4ccccc4)nn3)C2=O)cc1 1467705400 CMTOSHOFLGWTIJ-GOSISDBHSA-N 436.422 2.283 30 10 IEEE C=CCOCC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1470405764 GSOHBNUFUDXYEU-QGZVFWFLSA-N 433.553 2.375 30 10 IEEE COc1ccccc1[C@@H]1CSCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1471723099 BNEJOIHCIUHSQO-KRWDZBQOSA-N 445.566 2.441 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N3CCC[C@H](O)C3)CC2=O)cc1 1471761005 AYGKCHLIARNGIP-MJGOQNOKSA-N 432.480 2.147 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1C 1492392099 HUDHUACKLHSSPP-NHCUHLMSSA-N 441.532 2.398 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1501973605 CZAJTQAGYKQASF-UZLBHIALSA-N 428.537 2.421 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1502389354 BMCMZFARDBSKIO-INIZCTEOSA-N 426.521 2.116 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1503386020 GAVLJLUBBCRRIW-YSIASYRMSA-N 428.512 2.343 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1504944517 VTAKCWJYWYJQMB-VGSWGCGISA-N 429.521 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1507522146 BCTCGYBTSDBLLV-GAJHUEQPSA-N 427.549 2.265 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1507591080 IOYPXAULRSJZHD-GBESFXJTSA-N 449.621 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1n[nH]c(C)n1 1507662352 RAVIIDFAIWVFDZ-UHFFFAOYSA-N 449.515 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccn(-c2ccc(F)cc2)n1 1507666741 GAHAJOBUSMDUQO-NRFANRHFSA-N 445.502 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CCC(=O)N1CCOCC1 1507673707 ZSCNCPAYLDMKEC-UHFFFAOYSA-N 433.556 2.165 30 10 IEEE C=C(C)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836409 JVJUIJNHVQGBAC-FGTMMUONSA-N 432.569 2.146 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1 1508075092 SZKYBTASQKFDOL-UHFFFAOYSA-N 430.310 2.369 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1508094638 PSUKWMZORIDIBK-KRWDZBQOSA-N 442.589 2.143 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](COC)O[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1508096433 ACCZFAQOCPULEO-QUCCMNQESA-N 439.560 2.290 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)N(C)CC)C1 1508122705 GBAWXIDAZZIDAG-LPHOPBHVSA-N 427.505 2.050 30 10 IEEE CC(C)[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508846396 UZSRQYBZSCCPHS-HSZRJFAPSA-N 433.516 2.206 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOCC1CCOCC1 1513869580 BVKVUQHBROPBIC-UHFFFAOYSA-N 426.521 2.209 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1515282968 CURHWZNNAUXWNJ-UHFFFAOYSA-N 432.532 2.413 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(OC)ccc2OC)CCOC1 1516181792 ICXPSJFEPZDGBQ-FGZHOGPDSA-N 445.495 2.438 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1517225527 GNVWVUKDIRIYDI-MBOBHEEDSA-N 436.516 2.334 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1F 1519164987 XALAOUQYFWKZQL-OAHLLOKOSA-N 436.438 2.256 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1519514470 XYXZCJSIAXEENB-HXUWFJFHSA-N 440.573 2.092 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1531928922 ZDHIFIYTFJOXEU-SFHVURJKSA-N 446.495 2.066 30 10 IEEE C#C[C@@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccc(Cl)cc1 1535468318 OTKFBOURWDCXFW-QGZVFWFLSA-N 439.942 2.263 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccs1 1538982026 AWQTUCDGPDYYRG-HNNXBMFYSA-N 444.586 2.353 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCCC1=O 1539337047 CCDMJXXQFHBPQH-UNMCSNQZSA-N 441.576 2.258 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539506016 OPPRZOFLLHVDDC-INIZCTEOSA-N 432.546 2.077 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539574482 LLAGVPQRWLKQIG-AAEUAGOBSA-N 425.331 2.173 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@@H]1C 1540021211 RCGDTOPILKDKHS-INIZCTEOSA-N 448.593 2.364 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1540868310 AALPYDUJGBIGMH-ZWKOTPCHSA-N 427.553 2.155 30 10 IEEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1541753565 KCJFLRJMDKIRSF-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN(C(C)C)C1 1548137457 DZVZQQBXXGNATJ-QGZVFWFLSA-N 439.564 2.470 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1554531980 VRMKUAKYBDEZCL-RTBURBONSA-N 425.489 2.012 30 10 IEEE COC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555346063 INYTYHGBVQJLFP-XOMICKMZSA-N 440.504 2.236 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1557718565 PIQXKMSEWHOTOH-MRXNPFEDSA-N 437.525 2.200 30 10 IEEE COc1ccc([S@](C)(=O)=NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1558468982 HNBWNOZOXMQRIP-QYSRSOONSA-N 435.527 2.196 30 10 IEEE Cc1c(Br)cnc(O)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1567387487 BERSJQIOZLDNEP-ZYHUDNBSSA-N 425.283 2.347 30 10 IEEE CN(CCOCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1584795826 KZUXGYZSCZRBPZ-GOSISDBHSA-N 444.532 2.253 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1585280461 ZDQGLPAXMHCHNM-UNMCSNQZSA-N 449.617 2.091 30 10 IEEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1586573416 QBMOSIVNWXRRSD-MOPGFXCFSA-N 444.580 2.295 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1586957013 GYSDIXKOURNFGC-QGZVFWFLSA-N 425.551 2.242 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCC#N)CC1 1587546442 VIBUTLVJRHSGKS-HXUWFJFHSA-N 429.565 2.070 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1588064596 LFQRCHMSYWKMMP-ZWKOTPCHSA-N 449.527 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1CCN(CC(F)(F)F)CC1 1588214761 YUGUBQVCOKVYMK-UHFFFAOYSA-N 431.466 2.472 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1588245556 JIDHRTLDNJQUBQ-KRWDZBQOSA-N 436.585 2.493 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1589097526 ROOSQBWSZVSBLM-AZUAARDMSA-N 439.585 2.323 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1589662668 AETJHCPWVTZCHE-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1595522672 HZCZTLXCARHQCZ-LJQANCHMSA-N 431.544 2.353 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C/C=C\c2ccccc2)C1 1595673415 HLCDBZRFLLFMCB-PVDJYUQQSA-N 431.562 2.383 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1595800032 FWXPXFVDWXJHHV-YQQAZPJKSA-N 442.965 2.296 30 10 IEEE Cc1cc(-c2nc(C)c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)s2)ccc1F 1607497583 IWCOXYOIHCXUAA-UHFFFAOYSA-N 425.445 2.397 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC1CCCCC1 1611677004 HICLRQVVPXISQF-INIZCTEOSA-N 438.598 2.368 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C#N)o1 1617299842 UGMHLAOAXJDGMW-UHFFFAOYSA-N 443.529 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(OCc3nn[nH]n3)cc2)CC1 1617744303 YWLWOEQGYFWPHY-UHFFFAOYSA-N 426.477 2.368 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc[nH]n1 1618205534 DDKUHJHDNMVLLR-AWEZNQCLSA-N 433.440 2.062 30 10 IEEE CCOc1ccc(NC(=O)CN2CC[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCCCC1 1620441725 XXVWOHFVXCBTJZ-NRFANRHFSA-N 434.562 2.434 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)Cc3ccc(Br)cc3C#N)c2)NC(=O)NC1=O 1626461863 KQQGLBFZPGJGKK-FQEVSTJZSA-N 441.285 2.234 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1629545931 FYDHDGDCZVVDJT-KRWDZBQOSA-N 448.372 2.297 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2N2CCCC2)c1 1630751831 GNKPJSWALSBICU-GOTSBHOMSA-N 437.565 2.480 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1630873108 JKEVZVKDVSQBCE-IKGGRYGDSA-N 439.553 2.434 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)s1 1632305124 NXKCEAWJIILCEX-AWEZNQCLSA-N 444.579 2.038 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)c1=O 1634239997 BKXGJRDAATWUJY-UHFFFAOYSA-N 431.496 2.158 30 10 IEEE Cc1nnc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)s1 1635307615 IJHHPHCTFUYTSU-TZQQIIETSA-N 446.577 2.282 30 10 IEEE CCOC(=O)c1sc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)nc1C 1636756805 YDMPJBYESJZYEC-MRXNPFEDSA-N 426.498 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](C#N)CCc2ccccc2)C1 1637802969 QWTFSXBYJAAEQM-OALUTQOASA-N 449.573 2.299 30 10 IEEE N#CCCN1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 1648962934 FIOQILGRPOUCRU-UHFFFAOYSA-N 431.345 2.106 30 10 IEEE C#C[C@H]1COCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1663802118 WLHQGKPECNHZAE-RJGXRXQPSA-N 428.529 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNc1ccccn1 1689840211 VFEIAYGCEIBXLL-KRWDZBQOSA-N 428.504 2.276 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccnc1OC 1689971952 BRQQUZKPMKXOEY-UHFFFAOYSA-N 445.571 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OC(C)(C)O2 1690092501 KZJRJFHPTSKSHI-UHFFFAOYSA-N 439.516 2.156 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(C(N)=O)c2)CC1 1690144262 RPTZWZGWGUTPSX-UHFFFAOYSA-N 434.544 2.049 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690308785 ZPVKWOQJAKTHOR-SFHVURJKSA-N 435.536 2.223 30 10 IEEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690642214 BXCVAZVXIOBHEB-HSALFYBXSA-N 430.597 2.332 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nccs2)C1 1690663132 MUBIZOHVVWSGCE-KRWDZBQOSA-N 440.529 2.290 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1690670787 IVXSHZGODXTKOV-SJORKVTESA-N 431.562 2.331 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC[C@@H]2C)C1 1690688039 NARGJLFBABBFLP-GHTZIAJQSA-N 427.549 2.456 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC[C@H]2C)C1 1690688042 NARGJLFBABBFLP-WIYYLYMNSA-N 427.549 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1690717530 IXEQNOWBVTXTPK-LJQANCHMSA-N 429.546 2.423 30 10 IEEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCC(=O)N(C)C)n1 1693190283 MMYIVHZQOPOCOO-UHFFFAOYSA-N 446.515 2.052 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1695048780 SXINTCDHKIUUEG-XZOQPEGZSA-N 441.532 2.276 30 10 IEEE CCCN1CCC(Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1695368178 OBVUAALCNQMHTM-SFHVURJKSA-N 437.596 2.339 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1695999916 HGBDGHJQLYMRHJ-GOSISDBHSA-N 426.521 2.259 30 10 IEEE Cn1cc(CN2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)cn1 1696858487 BICJGXHLEIPBCL-UHFFFAOYSA-N 434.548 2.033 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705526376 JEHXMHMRMXCBKF-OAHLLOKOSA-N 427.505 2.051 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NCC)CC1 1705655323 BFNXVVWYFNWZDI-UHFFFAOYSA-N 433.969 2.211 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705659392 UWSUEFPSKATVBA-CVEARBPZSA-N 430.578 2.291 30 10 IEEE C#CCSCCn1c(N2CCN(C3CCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705664854 CZEKQLCBVGZBFW-QFIPXVFZSA-N 433.622 2.360 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(=O)NC 1705708312 ASHBSPIYYVTZJJ-AVRDEDQJSA-N 438.532 2.282 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1Cc1nnc(C)s1 1705879527 CBSOLSYDFXXMRW-UHFFFAOYSA-N 427.534 2.437 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 1705903781 UJKQDYXBQHQKIG-UHFFFAOYSA-N 449.342 2.365 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCN(CC)CC2)C1 1705925833 UZRKWIPUOPHFMQ-LEWJYISDSA-N 432.613 2.329 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C1 1705929828 YODGPLKERYZHHJ-QGZVFWFLSA-N 440.953 2.336 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1705948802 FRJZQEWOCJXZPS-KRWDZBQOSA-N 426.546 2.350 30 10 IEEE CC(=O)N1CCC(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1705967489 BQFBUSGJGWVNAR-HNNXBMFYSA-N 448.531 2.448 30 10 IEEE COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)ccc1Cl 1711656328 FQXDPPLDGLLJLH-OAHLLOKOSA-N 432.912 2.050 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712665525 JVLWAOXNZGDMAG-IGGDJGDASA-N 442.907 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1722291106 CFCGRAGZLHIALG-SJORKVTESA-N 432.569 2.377 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722312057 SNIBATMJBBVUJL-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722319555 NZINOEBTFGRTDL-UHFFFAOYSA-N 426.590 2.135 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1722406970 DDVZHJODLPNJLN-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N(C)C 1722423182 XRVOHLLPAIMRRJ-IBGZPJMESA-N 449.552 2.190 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1722601249 SZHNOKSHPVEFKV-WMZOPIPTSA-N 425.599 2.498 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)C[C@@H](C)O1 1727793985 OCCUQAGBAGDYRV-VQIMIIECSA-N 446.577 2.150 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC[C@H]1OC 1729066416 DFSHZXRCBDDCLS-RTBURBONSA-N 425.537 2.223 30 10 IEEE CCSc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)ccn1 1729251191 HRHGERYAJVNKPK-KBPBESRZSA-N 437.595 2.039 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)cc1 1730994201 HSUMMFRPBRGADS-NRFANRHFSA-N 440.504 2.158 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740586868 PYHAAEBRBIKYFI-JOCHJYFZSA-N 444.557 2.391 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1740671404 GNPCQAORROTMLH-MSOLQXFVSA-N 433.553 2.471 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCC(O)CC2)CC1 1740693738 KYAPWTXUYGBULL-UHFFFAOYSA-N 442.995 2.201 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1740779256 XYGCAYIIXXGYFH-AWEZNQCLSA-N 440.520 2.069 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740787771 JYFUZBFYTIVDQV-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1 1740969197 LKGCGXJZJSHAMY-HKUYNNGSSA-N 446.573 2.409 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1748751750 LKPGHTCSIWLNAI-IBGZPJMESA-N 445.564 2.055 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748815980 VCJZJHCMTSSMBK-ICSRJNTNSA-N 433.622 2.294 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748821210 NGCDWJCXYASNSG-QZTJIDSGSA-N 447.630 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1OC(F)F 1748824326 NYZVYFWXZDVXMU-UHFFFAOYSA-N 431.418 2.376 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCCN1CCC(O)CC1 1748896517 DNABEBINAVAJEM-UHFFFAOYSA-N 435.572 2.187 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[S@](=O)CC)CC1 1748987570 XYWAARMFZSYUAT-WJOKGBTCSA-N 438.557 2.124 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C[C@H](C)O1 1749545948 DJFOARDCBQZZMF-WMQCIHAUSA-N 441.532 2.252 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(C)(=O)=O 1749592403 KUBVEKMLQAHWLU-UHFFFAOYSA-N 429.546 2.485 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1749658213 IBNCCERHXFRLEM-IBGZPJMESA-N 435.532 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccccc2C1 1749721422 JJAZECIEDYUSKC-UHFFFAOYSA-N 431.562 2.318 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1750075240 BXIHIVANUMCMFM-PMPSAXMXSA-N 430.475 2.031 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1750139751 QUZKBUWMACZADS-LQBOVUBWSA-N 442.495 2.451 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1760162027 WCFBVJMXRDWCKS-PWRODBHTSA-N 442.608 2.360 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760186914 HAOZEXBIXBCXSL-ZCNNSNEGSA-N 449.621 2.021 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1760232679 KQQFPWDJDDTIFC-GOSISDBHSA-N 433.560 2.383 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CCC(=O)N1CCOCC1 1760239125 XHWXQFLTYMHLCI-UHFFFAOYSA-N 443.573 2.287 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2cnn(CC)c2)CC1 1760264470 PMMZJXVVEDONJD-UHFFFAOYSA-N 433.560 2.439 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(CC)CC)N(C)C 1760289243 NHKCNXDSVPTTPX-DJPFJPOOSA-N 438.642 2.247 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760355969 BRISDCZAPITIPQ-LJQANCHMSA-N 427.553 2.243 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1760358636 XVHFMQQEMMZTCG-GOSISDBHSA-N 426.583 2.026 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1760503949 ICMROUWGLBLCLL-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760523030 KFVVSXDAWMSTPB-UHFFFAOYSA-N 433.516 2.334 30 10 IEEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1761316400 DXSIOUQRMLPALA-FQEVSTJZSA-N 438.532 2.389 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1764754744 FRVGYGMYAAGVFT-UZLBHIALSA-N 442.589 2.313 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1767010532 BIFOMQMAODCHIF-JOCHJYFZSA-N 440.573 2.397 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1771059843 DXIRKJHZEQXFER-UHFFFAOYSA-N 437.504 2.155 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCSC4(CCOCC4)C3)n2CCOCCCO)cc1 1771533493 NECOWGNBRVYSBH-UHFFFAOYSA-N 443.573 2.318 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCc2ccco2)cc1 1771535088 XTVHWFXFXHVCCZ-QFIPXVFZSA-N 449.446 2.080 30 10 IEEE CCn1cccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1772880589 BOTCKDXALMREIJ-JTSKRJEESA-N 428.537 2.287 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)NC4=CC(=O)CCC4)CC3)CC2=O)cc1 1852424563 ZVQJBXASDVTYAW-FQEVSTJZSA-N 437.540 2.335 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1853178697 FAWHZYOGNRBFOF-OLZOCXBDSA-N 441.875 2.403 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1854766023 AAJLBANCPWOHQK-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CC(C)(C)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1855806624 DUFZIIUQCCTRAC-GFCCVEGCSA-N 431.436 2.285 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 1862628433 YGQFLBKCPCVWOC-LJQANCHMSA-N 426.400 2.269 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1C(=O)O 1862738729 IFDGXIVDAWKDIK-PIGZYNQJSA-N 426.381 2.252 30 10 IEEE COc1ccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SCC(N)=O)cc1 1874292483 FZWSSTGHRWPBCE-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)cc1 1874344478 OTPMERKNBSFDBR-YDZHTSKRSA-N 439.497 2.146 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)NCCCc3ccccc3)CC2)CC1 1890332169 ZBYQLZAZBQABQY-UHFFFAOYSA-N 426.605 2.451 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(Oc1cc(Br)ccc1C#N)C(=O)O 1919733516 YADISUVMNQEMMS-CXAGYDPISA-N 427.251 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)N2CC[C@H](C#N)C2)C1 1982870306 JPMULNLXBPVYMP-QGZVFWFLSA-N 436.534 2.130 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](O)c1nn(C)cc1I 1983836450 KACDMWXJHMFQIZ-NVXWUHKLSA-N 427.286 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141672387 FTZPXTDVMGZYQO-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE C[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256019237 XUPUXWWONFUUIQ-HNNXBMFYSA-N 427.306 2.420 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)cc2)OC1(C)C 2258241572 VOWBYLPYXDZORT-UHFFFAOYSA-N 426.244 2.269 30 10 IEEE Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998986 VMYBWHHWOCRBNZ-LJQANCHMSA-N 438.381 2.374 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 2267125690 HECFOLMAUXRWMI-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139365 FNNLDBNNZDTSSS-PKOBYXMFSA-N 438.381 2.421 30 10 IEEE Cc1c(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267140008 NHZUDCGSRCHIDE-MHECFPHRSA-N 436.365 2.032 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]1C1CC1 2267142222 REBMFKPAMTYRIJ-YOEHRIQHSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2267144030 QOXYYOWXJOOXKQ-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE CCn1cc(C(=O)N(C)CC2(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267186274 HHZBGQCMUZZRGQ-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C(F)F)[nH]n2)OC1(C)C 2267190982 VZQCCOFUCTXYIZ-DOTOQJQBSA-N 446.307 2.204 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)OC1(C)C 2267193620 IHIBDRXQAVWWSL-MHECFPHRSA-N 436.365 2.303 30 10 IEEE Cn1cc(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267196332 PBZDEAFVBNRPBD-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2267498226 SMPLYAIQUYTIGL-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267504048 MOCYLQVLGQQWIY-MOPGFXCFSA-N 436.365 2.127 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876998 QITWRYRHAWGUIK-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268634138 GMBHPCWTLJHRBI-VKJFTORMSA-N 448.369 2.437 30 10 IEEE Cc1nc(NC(=O)[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268720846 CBMOGZZNYWCTPC-RCDICMHDSA-N 444.341 2.280 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269075410 MPEZCCUHOKACOE-DNVCBOLYSA-N 440.305 2.169 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CCNc2ncccc2B2OC(C)(C)C(C)(C)O2)nn1 2271499732 FTAUQWGYZYYYLE-UHFFFAOYSA-N 444.345 2.109 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2296221434 IPFRHUJZKFJBBU-KZNAEPCWSA-N 439.350 2.385 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)c1OC 2296615697 CFOVIXIDBJMZOK-LJQANCHMSA-N 442.516 2.037 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334264700 GSWKROZLBYTOFH-DJIMGWMZSA-N 445.369 2.452 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N 20806378 WUIZCAVKWREAFC-SRZZPIQSSA-N 427.490 2.273 30 10 IEEE C=CCN1C(=O)[C@@H](C(C)C)NC12CCN(S(=O)(=O)c1cccc3cccnc13)CC2 96210904 DFNGNJQCTROCKA-LJQANCHMSA-N 428.558 2.358 30 10 IEEE CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H](/N=C\N3CCCCCC3)[C@H]2SC1(C)C 100385677 NPGNOVNWUSPMDP-ZUXAOLKZSA-N 439.578 2.412 30 10 IEEE Cc1ccc(NC(=O)COc2ccc(CCNC(=O)[C@H](C)n3cnc(C#N)n3)cc2)cc1 409509061 VETPOJQQGIZALC-KRWDZBQOSA-N 432.484 2.396 30 10 IEEE Cc1cc(C)cc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 409533209 DHXGCVMEXZNYLZ-UHFFFAOYSA-N 433.555 2.011 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 437544397 FVZSYFAXOOUTKA-MRXNPFEDSA-N 444.532 2.400 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 466107199 MBNYCKIGYRMGTA-UHFFFAOYSA-N 428.514 2.043 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478754667 QHCFFAMHRZGGIA-GOSISDBHSA-N 442.585 2.375 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 481465457 KBUDIXDRBUPCLM-RXVVDRJESA-N 440.569 2.396 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CC1 492417205 JATZOKZYOKBRIR-UHFFFAOYSA-N 426.542 2.085 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508848411 YHVSCIJEQPHFGN-UHFFFAOYSA-N 433.560 2.367 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1C 508911579 IWSNZHZFAPLULX-IBGZPJMESA-N 449.577 2.011 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1-c1ccccc1C#N 511060950 HKOSMDJRZKMAIZ-UHFFFAOYSA-N 442.544 2.417 30 10 IEEE CC(C)[C@@H](NC(=O)c1ccccc1)c1nnn(CCS(=O)(=O)c2cccc(C#N)c2)n1 513785888 VNYXZLGAKZANMK-LJQANCHMSA-N 438.513 2.146 30 10 IEEE COC(=O)c1cc(I)cc(NCC(=O)N(CCC#N)CCC#N)c1 536303478 ZTFLGTYFQAGXTM-UHFFFAOYSA-N 440.241 2.146 30 10 IEEE C=CC[C@H](CO)CNC(c1nc2c(s1)CN(C)CC2)c1nc2c(s1)CN(C)CC2 543423138 UBKKSQIHTOWBCC-AWEZNQCLSA-N 433.647 2.439 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(Cl)c(C#N)c4)CC3)C2=O)n(C)n1 543751188 XLJYKAVPTGWXPE-IBGZPJMESA-N 440.935 2.207 30 10 IEEE CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCC(C)(C#N)CC1 558859916 KUVBWOYHQQSKMM-UHFFFAOYSA-N 444.561 2.116 30 10 IEEE N#Cc1cccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)n2)c1 559052490 SXQHHSOOFNFMCR-WMZOPIPTSA-N 440.525 2.304 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N4C(=O)N[C@@H](C)C4=O)c3C)cc2C1=O 561748080 IYGINDXVXGJUGD-ZDUSSCGKSA-N 432.436 2.474 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1n[nH]c(C2CC2)c1C#N 578040821 NCPBJQOZLYJIPL-JTQLQIEISA-N 437.319 2.970 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c(F)c1 585774108 CZNNSCUDJCIULY-UHFFFAOYSA-N 431.427 2.277 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)ccc1F 609219977 QOWHCUCUWRKZNI-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 735847937 CHYWBEJKXJDVFO-MRCUWXFGSA-N 440.481 2.342 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCOC[C@H]2CCOC2)C1=O 740617033 RDAHEBHCYYRMEG-QAPCUYQASA-N 430.530 2.069 30 10 IEEE CC(=NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc(N2CCCS2(=O)=O)cc1 741161821 JAMPSEXNCLRQKR-UHFFFAOYSA-N 446.554 2.344 30 10 IEEE N#C[C@H]1C(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)=CC(=O)n2c1nc1ccccc12 744423643 KWHCFFQZULEQOG-MOPGFXCFSA-N 433.512 2.327 30 10 IEEE CSCCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 751824502 XQGWJNNQROHMTJ-UHFFFAOYSA-N 440.594 2.429 30 10 IEEE COC(=O)c1cccc(COC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1C#N 756199068 LLXBKPXTPKFUTP-UHFFFAOYSA-N 442.229 2.440 30 10 IEEE COc1cc2c(cc1C(=O)Nc1cccc(S(=O)(=O)/N=C3\CCCN3C)c1)OCO2 758954681 MZKXZNPRQTYFPH-ZBJSNUHESA-N 431.470 2.489 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C 772648967 STQABVXFAWUBQU-OAHLLOKOSA-N 439.559 2.414 30 10 IEEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772902643 XWSOSDYAHFRWBH-UHFFFAOYSA-N 433.599 2.329 30 10 IEEE Cc1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OCCO)c1 773745411 BTDUCVYEPNYGIO-LJQANCHMSA-N 445.541 2.458 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCc3sccc3C2)nc1)[C@H]1CCS(=O)(=O)C1 774020309 BPMSVDUSUPQBRR-KRWDZBQOSA-N 430.555 2.360 30 10 IEEE CC(C)(C)OC(=O)NC1(CO)CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 787914005 UIKPVNHUKCXJFC-UHFFFAOYSA-N 429.926 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cnc(NC(=O)COc3ccccc3C#N)cn2)CC1 790004634 ASYLBDXDURLLJP-UHFFFAOYSA-N 438.488 2.423 30 10 IEEE C=CC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 790563523 FYALNLKBJSKCAA-MBSDFSHPSA-N 436.597 2.391 30 10 IEEE C[C@@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790863559 CJRSMQZGYLBTOW-LLVKDONJSA-N 425.388 2.200 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n1 796410472 CXKQWYFASJIHFD-DAYGRLMNSA-N 443.529 2.293 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)Nc3sccc3C#N)CC(=O)N2C(C)(C)C)cn1 796420955 TXGYRFJSKQULLS-WMLDXEAASA-N 429.502 2.223 30 10 IEEE CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CC[C@H](C)C2 798742102 ZQJUZVSWTRJLLB-NWDGAFQWSA-N 445.501 2.256 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ncc3n2CCCC3)C1 800353128 PWWUJBXBHFJYKT-MRXNPFEDSA-N 441.557 2.054 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2occc2C)cn1 813565189 VGIZIGYYGOYJAS-QGZVFWFLSA-N 445.545 2.191 30 10 IEEE COC(=O)Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]c2ccccc12 1153866473 OKUMGGYJKINMPN-DYVFJYSZSA-N 426.473 2.372 30 10 IEEE COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 1157259196 ASRYEGQTCSPLLR-HSZRJFAPSA-N 428.452 2.455 30 10 IEEE CCCCc1ccc(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1 1166614559 JIKBDPPOOPUPJJ-UHFFFAOYSA-N 425.485 2.449 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)C1 1171219896 RNHUVLGTGFTVLZ-YADARESESA-N 439.560 2.186 30 10 IEEE COc1ccc(C)cc1NC(=O)CNC(=O)CNC1(c2cccc(C#N)c2)CCOCC1 1174661682 LUEMXTZFDMCGHK-UHFFFAOYSA-N 436.512 2.226 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C3)CC1 1176864345 IJAWLCSOYBULCO-NMLBUPMWSA-N 433.597 2.056 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(F)c1Br 1208475341 ZBANKOWCQORXBU-GFCCVEGCSA-N 426.329 2.093 30 10 IEEE C#CCN1CCC(NS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1213773261 MWHQGGDUEVEOCF-FQEVSTJZSA-N 433.574 2.052 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1233928563 RQGGIZCCARKUEQ-CQSZACIVSA-N 448.372 2.438 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1286311592 KESAJBQTULPDHN-LJQANCHMSA-N 440.592 2.353 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286313462 ADJVWAMUCKVBGS-UHFFFAOYSA-N 435.532 2.224 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286325652 XUNNLMRGZHPKKV-VQTJNVASSA-N 428.581 2.066 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286358820 QFOJYIJNOHRPOD-GUDVDZBRSA-N 432.590 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H](C)CN1CCOCC1 1286415924 IPIZIYQVLPXPAU-IBGZPJMESA-N 425.508 2.037 30 10 IEEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)N(C)C 1287339831 ZQLZZDONPDOZBT-NRSPTQNISA-N 440.548 2.267 30 10 IEEE CC[C@H](Cc1ccccc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289435825 DTSUMWLKNFBPLJ-QIIPPGSGSA-N 425.348 2.415 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1291654061 GGLGEVKKYGFANM-LNLFQRSKSA-N 425.537 2.189 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1298283555 HIPIBEOCVXIYHV-UHFFFAOYSA-N 443.573 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1300505738 HKYBYVLMGSABGZ-SFHVURJKSA-N 442.564 2.136 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2nsnc2c1 1300512431 PUPIRSWSIDUIPC-JOCHJYFZSA-N 436.541 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCC1 1300561490 SPYAVYCLJDHMBJ-UHFFFAOYSA-N 426.542 2.117 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C2CC2)N(C)C)CC1 1300725805 DQUNSRXCFPAOEJ-QHCPKHFHSA-N 448.615 2.483 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1300855069 CGMGGMYOJKIGPJ-OALUTQOASA-N 440.548 2.219 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 1301012669 DTNVJJQJNKECSM-UHFFFAOYSA-N 432.956 2.500 30 10 IEEE COC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301275568 HTDLJJLCQSRNPM-ZBBYCGENSA-N 430.553 2.256 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1301536667 YRDUIGNHDHHJFF-ICSRJNTNSA-N 446.573 2.184 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1301565366 HHMCQPYIPGFDMK-QHAWAJNXSA-N 428.533 2.487 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2cnnn2)C1 1302980332 OVSNLEWDZGODIT-KRWDZBQOSA-N 446.288 2.226 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)C1 1303947359 OUPRZPOKXHOHGU-WMZHIEFXSA-N 438.532 2.104 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(-c2ccc(F)cc2)c1C 1307994534 PRHWWHZSZVKTTL-DHIUTWEWSA-N 437.475 2.028 30 10 IEEE Cn1cc([C@@H]2[C@@H](CNC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC(=O)N2C(C)(C)C)cn1 1313008801 DQRDYBKHYWMKCP-CBQOVEMMSA-N 434.544 2.446 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCC[C@H]1C 1313824505 DWVDPGUOMNTCIE-IERDGZPVSA-N 431.562 2.239 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCS(=O)(=O)C(C)(C)C)c1 1358902290 JWVIRCHZBKYQCW-UHFFFAOYSA-N 443.573 2.425 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)Cc1ccccc1 1358929955 LJBLTLZPZRWOMC-FQEVSTJZSA-N 443.573 2.217 30 10 IEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CC(=O)N(CCOC)C1 1359012439 LXKPMUUXRQZYQC-LJQANCHMSA-N 434.544 2.236 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCOC2)CC1 1359031146 RJROFVDVCQAVGF-HNNXBMFYSA-N 433.354 2.218 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359216124 PMFAOWIQFUNDJX-OWCLPIDISA-N 447.552 2.305 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1359291174 HJRHDQLXQAQRSN-CQSZACIVSA-N 432.475 2.292 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359300832 KUVWJRDLXNEXOA-UHFFFAOYSA-N 425.459 2.404 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnn(C)n2)cc1Br 1361175994 ZVCJWCYQXYVMGB-NSHDSACASA-N 430.314 2.184 30 10 IEEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1436658973 FWWWTDBLRFWQOE-CQSZACIVSA-N 431.341 2.255 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2nnn(-c3ccccc3Br)c2C)CC1 1460021995 DLQGXXKMRPERCW-UHFFFAOYSA-N 432.278 2.257 30 10 IEEE C=C(CCC(=O)OC)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1467410708 YHJZAXKSPBWDJM-AWEZNQCLSA-N 437.459 2.096 30 10 IEEE Cc1cc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc(S(=O)(=O)N(C)C)c1C 1467880407 HERXYMVIRAHCIZ-UHFFFAOYSA-N 438.513 2.446 30 10 IEEE C#CC[C@@H](COC)NC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1468705782 FPMHGWRVWKEMOO-IBGZPJMESA-N 426.517 2.279 30 10 IEEE C#Cc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2I)cc1 1475769722 QXYNTBOUAFEECW-MRXNPFEDSA-N 427.263 2.284 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cc1 1492467522 HFRJRWSIURCVHE-CSODHUTKSA-N 429.546 2.148 30 10 IEEE CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C[C@@H]1C 1502265140 KNWOXVFIVBRJAM-BOSXTWCSSA-N 428.537 2.434 30 10 IEEE COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1504866850 GATHVDUKHZJTSC-GOSISDBHSA-N 431.562 2.360 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1504997461 DMMQGFHGKPXQLR-YOEHRIQHSA-N 437.447 2.381 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccn(C)n1 1507652136 DRBCNHZCLMTXIF-UHFFFAOYSA-N 437.548 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCC)CC1 1507736416 LRIQNZIWCWAWKE-UHFFFAOYSA-N 433.516 2.081 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507751360 MYXJGJAPOFQYHK-GOSISDBHSA-N 430.578 2.157 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(N)=O)CC1 1507755573 PBKLPWMTZYTFNI-UHFFFAOYSA-N 427.574 2.140 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](COC)C1 1507791803 SIEXPEYMILSBNK-VGWMRTNUSA-N 445.358 2.151 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)(F)F)CC1 1508085324 HDGURQGIQHASTK-UHFFFAOYSA-N 436.482 2.164 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCOC2)C1 1508119403 ZOMKEWYUVGEOHP-JPYJTQIMSA-N 444.532 2.285 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1513913177 DKVBCBARZBHECY-UHFFFAOYSA-N 436.564 2.082 30 10 IEEE CCCN(CCC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1514760164 BUWRNHIGXIRKFS-XLIONFOSSA-N 440.589 2.134 30 10 IEEE CN(C)CCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1517028548 WIKJOXLXHXQMQN-QFIPXVFZSA-N 425.512 2.370 30 10 IEEE COC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1518729101 NWNGYRJZTLYMHU-SFHVURJKSA-N 427.553 2.121 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(C)COCCO1 1519152494 QNWRISBKYXTNAI-NZQKXSOJSA-N 441.532 2.112 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1519380342 FXAIVPQDBOZKTB-CVDCTZTESA-N 441.532 2.112 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCOCC(F)F)cc1 1521095569 MXEYUHHYYFFTCJ-ZWKOTPCHSA-N 433.459 2.483 30 10 IEEE COc1nc(C)cc(C)c1CN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1530083416 ZJQZFBJNUVSIJE-LJQANCHMSA-N 435.484 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1539246567 TUPCBORRZNJISG-NRFANRHFSA-N 434.588 2.300 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CS(C)(=O)=O)c1 1540092611 OEDHEMFMPMHKPJ-OALUTQOASA-N 434.562 2.217 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)C(C)(C)C 1541454760 DNHFVIXIXQEBEC-UHFFFAOYSA-N 446.577 2.225 30 10 IEEE Cn1c([C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc2)nc2ccccc21 1544044331 ALGHDGARWCEZSL-FQEVSTJZSA-N 428.452 2.003 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1546190941 HTOHTRWMJDWKQG-LAUBAEHRSA-N 446.552 2.231 30 10 IEEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1=O 1547199602 IRWMYLGXNQWUBW-QHCPKHFHSA-N 438.532 2.071 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1554121803 COTMRHXIBSSAGV-BZSNNMDCSA-N 447.536 2.490 30 10 IEEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCOC(C)(C)C)CC2 1554365447 ZJHFRIYTPRNIJZ-UHFFFAOYSA-N 433.516 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1556905144 NSXULCCJPATICR-OAQYLSRUSA-N 442.451 2.053 30 10 IEEE C#Cc1ccc(NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(Cl)c1 1563326893 QVWAVJVBHCHMLI-UHFFFAOYSA-N 425.938 2.416 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1586184545 GPQOSSJRXSAIGY-KRWDZBQOSA-N 426.517 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OC 1587620930 NBVIUCIQKOSBGU-HNNXBMFYSA-N 429.484 2.102 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588068867 BAHMFHJCUZWUGC-ULQDDVLXSA-N 432.521 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1-n1ccnc1 1588078435 GYFGFPAUNWOFRG-UHFFFAOYSA-N 436.479 2.232 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCOC[C@H]1OC 1588093713 NPGXJLFJTZOUII-MAUKXSAKSA-N 446.349 2.170 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)C1CC1 1588229295 SRZKIODTNBVPRV-XMMPIXPASA-N 433.560 2.076 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C)CCCC2)CC1 1588877109 VLCDTUJUEOMBLL-UHFFFAOYSA-N 426.565 2.060 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1588983549 AFTMOBTYUYUAMG-WBVHZDCISA-N 444.536 2.137 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1589662987 FXDKKHSCWBAKBC-IRXDYDNUSA-N 443.639 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1595529929 NACZLLNUGNMJDL-MRXNPFEDSA-N 439.545 2.284 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1595544455 IKANKDNACXEUHB-SFHVURJKSA-N 425.533 2.354 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1595705726 DCDJTHBECHNQCE-AZUAARDMSA-N 425.533 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1595831471 QTZUBTYXUYHGPZ-NRFANRHFSA-N 440.610 2.403 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1595877835 BJAABIZVQLBJPF-OAHLLOKOSA-N 448.622 2.025 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1595901326 UDICEKFTQJAVII-UHFFFAOYSA-N 433.582 2.337 30 10 IEEE COc1cccc([S@@](=O)CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 1596420415 QNOPGGZSJCERGF-WRQMMDRMSA-N 449.554 2.254 30 10 IEEE Cn1ccnc1[C@](O)(CCNC(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F 1597122636 QRVOBKODZITHKD-LLVKDONJSA-N 427.292 2.281 30 10 IEEE COc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1598111610 MOJSANWBNVXBSX-MRXNPFEDSA-N 430.505 2.060 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1611292442 NMMMGDWUXRTYLW-WMZOPIPTSA-N 447.561 2.283 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)nn1 1622441640 UXUOIVQXHPQMTJ-UHFFFAOYSA-N 442.339 2.362 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)c2)cc1 1624918551 BONKXNBSHKBFAA-SFHVURJKSA-N 428.514 2.186 30 10 IEEE C=C[C@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1628287600 ZMZOTHGYCYPOEV-KRWDZBQOSA-N 437.562 2.045 30 10 IEEE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1630415520 QTRISNHXTNBREN-SGEFXGGVSA-N 434.537 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2C1 1632880128 GMXKRDIERHACDN-ZPHPHTNESA-N 446.529 2.298 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC 1636710062 MTKHVJGLVJJNMU-PBHICJAKSA-N 427.339 2.196 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C 1637525064 JCJZJOOFGLFMGB-CABCVRRESA-N 438.550 2.035 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H](C#N)CCc2ccccc2)C1 1637802971 QWTFSXBYJAAEQM-RTBURBONSA-N 449.573 2.299 30 10 IEEE N#Cc1ccc(Br)cc1N1CCC(C(=O)NCCCN2CCOCC2)CC1 1639517031 WJWHGQTZTLEEDX-UHFFFAOYSA-N 435.366 2.376 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1CCc2c(C#N)cccc21 1639545581 PMJJKGLYKMPFNT-KVSKMBFKSA-N 445.541 2.118 30 10 IEEE CCO/C=C/[C@](O)(CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(F)(F)F 1641569672 HPVRRFXONZFACV-DVBCCOPCSA-N 425.411 2.110 30 10 IEEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1642543438 SCKKCNDEUFEQBN-OXQOHEQNSA-N 441.576 2.407 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN1CCc2nc[nH]c2[C@]12CCN(C(=O)OC(C)(C)C)C2 1643955760 MCBMZMAFFSVUCT-KSFYIVLOSA-N 430.553 2.112 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1645085636 SRPWQJPJQBBTOW-IBGZPJMESA-N 441.557 2.342 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC(C)(c2nnc(C3CCOCC3)o2)C1 1645902134 HVXSDIDXTABREE-UHFFFAOYSA-N 426.521 2.423 30 10 IEEE Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(=O)NCc3cccc(C#N)c3)C2)cn1 1648073688 ZUEHBUKDYUFQKL-PMACEKPBSA-N 437.544 2.355 30 10 IEEE COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1655218140 WQUPXBYHIKHFEY-UGKGYDQZSA-N 434.968 2.096 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(CCCF)CC1)CCCC2 1655232788 STCIFOXNKJBWAQ-SFHVURJKSA-N 431.556 2.333 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)CC1 1655389596 NHSXOFSSUZBGSX-ZCNNSNEGSA-N 433.597 2.153 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)c1ccc(Br)cc1 1683512334 KJBFPQFFBQPTGL-YOEHRIQHSA-N 442.379 2.436 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)OCC)(C(=O)c3ccccc3)CC2)C1 1684083077 OICJVBNFQCWTLD-HXUWFJFHSA-N 425.529 2.322 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cnn(CC)c2)c1 1689872315 UWSNCJUOFQDJLQ-FQEVSTJZSA-N 447.543 2.493 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690080045 DTQOZLBTLNZTOO-QHCPKHFHSA-N 430.556 2.338 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nncn1C 1690095635 XYXIWJHENPXHLB-UHFFFAOYSA-N 448.300 2.110 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccsc1 1690101130 PCOQRQYQTLEDNR-NRFANRHFSA-N 443.529 2.061 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(F)(F)F)C1 1690321554 FOWRJVSULHFNJU-JYJNAYRXSA-N 434.459 2.362 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1690578097 QRGGJZJIBJSWHV-MRXNPFEDSA-N 432.575 2.216 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1690671596 ZRKVDLHCUNPXAF-FUHWJXTLSA-N 431.924 2.316 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1690676729 BPBKJNOFKJMPHC-KRWDZBQOSA-N 429.496 2.355 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(N)=O)C1 1690748613 AMKCJOYAXFUUFH-INIZCTEOSA-N 425.562 2.138 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@@H](C)O1 1693829573 AYTFAOKOWBAPEZ-QRVBRYPASA-N 440.548 2.063 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1695499025 GWLBMRDOQZUHPV-UZUQRXQVSA-N 438.532 2.069 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1705524839 SVVKCADJQLRXKL-INIZCTEOSA-N 429.496 2.441 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705658179 HECDNGYDPGBRHN-UHFFFAOYSA-N 446.462 2.473 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705662675 HFAMXYVPVBWEDL-DOTOQJQBSA-N 430.603 2.057 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C 1705877962 GCRALFDZCILWIP-RLLQIKCJSA-N 445.589 2.427 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908938 XXLPEARQXKZQRE-KXBFYZLASA-N 445.486 2.400 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1706076457 DHQNKIDOYQSWPV-KRWDZBQOSA-N 438.557 2.453 30 10 IEEE COC1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1712038506 FRPAUYCPZFGKCA-VLMZZQAOSA-N 433.553 2.253 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722372053 ONGVBCSYFARKOM-RHSMWYFYSA-N 433.603 2.426 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)NC(C)C)CC1 1722433236 QCNCRDFSWAMZKM-UHFFFAOYSA-N 446.559 2.005 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1722442640 XOCRVMBAKPQTEY-PMACEKPBSA-N 439.560 2.436 30 10 IEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722621411 TUVCWEIIRKHIOE-UHFFFAOYSA-N 442.495 2.483 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1Cc1ccc(C(N)=O)nc1 1722658354 WMEVGVXAUSLFHB-UHFFFAOYSA-N 426.484 2.470 30 10 IEEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1727238431 GSOBCYUXIIBDCT-VBKZILBWSA-N 437.520 2.162 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1729369445 KJCSNTJFBWJUEG-DQRAZIAOSA-N 447.499 2.244 30 10 IEEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1729426363 FITVGFUDBLMEFC-UHFFFAOYSA-N 430.559 2.406 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740639324 UJUBSEWLRHEWOX-PKTZIBPZSA-N 433.556 2.494 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1740688621 HEIPAACHGMRDRK-MOPGFXCFSA-N 430.597 2.013 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740713495 GDUZXPOLLZOCHB-LJQANCHMSA-N 435.557 2.223 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)F 1740729193 CMWHGIVMSDKXSN-OAQYLSRUSA-N 431.443 2.090 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740761330 MYWAYDFUKLXCJO-QRQLOZEOSA-N 437.610 2.292 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1741004399 ZRLWRAHGMPFYDK-LJQANCHMSA-N 425.562 2.285 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(C(N)=O)c2)CCOC1 1741124251 DTBADNKYDFVZMX-AOMKIAJQSA-N 426.521 2.062 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1741128850 DOFQBTFWTHVQCI-PGRDOPGGSA-N 448.575 2.279 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1743757705 SNWJUQCURUNSHD-SESVDKBCSA-N 429.613 2.205 30 10 IEEE CC[C@@H](C)c1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743797419 FGDDTDCAUANDBZ-OSCRUYLVSA-N 428.537 2.467 30 10 IEEE CCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)cc1OC 1746804734 OQCLYNYEKLXANU-UHFFFAOYSA-N 436.472 2.192 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1748732240 WTKRGRMQFBRKFG-QUCCMNQESA-N 445.589 2.140 30 10 IEEE C#CCN(c1nnc(C)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804366 GJYLBSGSLXWYPX-WIYYLYMNSA-N 429.590 2.124 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1748815504 QYIIFYFPDNSGFR-DLBZAZTESA-N 449.602 2.154 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC(C)C)N(C)C)CC1 1748993790 LZXLREVKURNSFR-QFIPXVFZSA-N 448.619 2.248 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749129431 DEHOBKFMHUOGLU-MHTWAQMVSA-N 433.597 2.310 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1749680877 UTUVKIXQLSNMSV-HSZRJFAPSA-N 441.532 2.175 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1750175457 DZYHQGRLNYZAIS-DENIHFKCSA-N 442.589 2.391 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1750523951 GBSJUQZBUMMMGZ-NLWGTHIKSA-N 444.580 2.328 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1750995574 PDDHPXKZPGNDGO-UHFFFAOYSA-N 448.531 2.156 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760182045 AYIDTFWVPRBIJD-WMZOPIPTSA-N 441.557 2.268 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760182311 ICVDXPFIPVERAI-QGZVFWFLSA-N 426.546 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCOCC1 1760222438 LAIGSKPCDXYQON-PWRODBHTSA-N 427.593 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(F)cc2Cl)CC1 1760260397 QNLFQZGFUHTLRJ-UHFFFAOYSA-N 427.915 2.469 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)O)CC1 1760261619 UMXDTTQKQFNYNW-UHFFFAOYSA-N 448.365 2.146 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)COC)CC1 1760262998 JYFOQKXTHMXLBC-UHFFFAOYSA-N 425.577 2.500 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)C2CCCCC2)CC1 1760264815 GIRISNQQXIZCLB-UNMCSNQZSA-N 444.624 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(Cl)nc2)CC1 1760267891 DXUWIKVFRATRGF-UHFFFAOYSA-N 435.919 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(COC)c2)CC1 1760267918 GCLJPXYUYBTNIC-UHFFFAOYSA-N 446.555 2.444 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@@]1(OC(C)C)CCOC1 1760327831 MOTYCKRXDOYAFK-CROMWVBPSA-N 449.596 2.118 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1760357918 KMXIGFWMKCHROK-UHFFFAOYSA-N 449.502 2.035 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccn(Cc2ccccc2)n1 1761217429 PYPKBEXUNSUVPD-JOCHJYFZSA-N 436.495 2.151 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCSC(F)(F)F)CCOC1 1761291105 HUSXVSUPHONSQW-BBRMVZONSA-N 435.472 2.300 30 10 IEEE CCc1ccc([C@H]2CN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CCO2)cc1 1762616071 VYOQXGDJDGFIMC-VWKSNAFDSA-N 436.516 2.253 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCn2ccnc2C1 1769847048 PNZDKVJVOZUPEL-KRWDZBQOSA-N 440.577 2.459 30 10 IEEE COc1ccccc1-c1nnc(N2CCSCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1770414454 JPCUEPSIAZATCT-ZZEZOPTASA-N 440.529 2.033 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1771112035 DTEQULMFJZPVIN-KRWDZBQOSA-N 444.502 2.423 30 10 IEEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2COCC2(C)C)cc1 1851357756 SYNHSBHNRZYPNP-HXUWFJFHSA-N 443.525 2.051 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)CO2)nc1 1852466272 ITOVCCTXJXFUJI-SJORKVTESA-N 426.860 2.319 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)cnc2c1C#N 1852998463 GIJBOKILWNIOBR-UHFFFAOYSA-N 441.488 2.435 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2=O)CC1 1853735406 SCCRLRVXHMDAMN-QFBILLFUSA-N 428.920 2.446 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)C(C)(C)C2=O)cc1C#N 1854719338 CHNFVAWPTWNUGF-UHFFFAOYSA-N 425.510 2.460 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(Cl)s2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870004909 PIRNADZNHGUOSJ-GFCCVEGCSA-N 441.966 2.205 30 10 IEEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1871004730 UPKVSJPBKNITDG-UHFFFAOYSA-N 431.920 2.467 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOC)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596813 YQTFMXWNBRBLBH-UHFFFAOYSA-N 428.537 2.493 30 10 IEEE COc1cc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(C#N)cc3)C2=O)cc(OC)c1OC 1873867834 ZPYLGFCCLWNWKF-INIZCTEOSA-N 438.440 2.428 30 10 IEEE CCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874525650 YSWYVQALVKUTMW-LSHDLFTRSA-N 445.501 2.447 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)CC2)CC1 1891246243 FTCOKFHXQPIAFF-UHFFFAOYSA-N 446.523 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1962837244 KMIATITZPDAZLE-PMACEKPBSA-N 428.533 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 2010515460 JPSOOAUYHFCJLV-UXHICEINSA-N 428.533 2.295 30 10 IEEE C#CC[C@](C)(CO)CNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2025332599 YTKDZZVBFGTDPY-ZEQRLZLVSA-N 429.561 2.294 30 10 IEEE N#Cc1cccc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1F 2195348335 JYFCPZDSWXLIER-KRWDZBQOSA-N 434.445 2.382 30 10 IEEE Cc1nc(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243390544 XKYXULKECSOWLO-NSHDSACASA-N 425.360 2.394 30 10 IEEE C[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247835851 RNJLBDMPJBYBLN-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CO[C@H]2C1 2254802520 OKWMUXMOAISSRM-BBWFWOEESA-N 431.342 2.427 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2255630150 GMOYXNXKOQMRAY-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630515 LIQQNESOWJZSOV-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC[C@@H](CN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255641067 OFXJLIQLUUMIMM-HNNXBMFYSA-N 434.346 2.151 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255813101 ZWQDGYJMFGYXSV-WDEREUQCSA-N 447.288 2.114 30 10 IEEE C[C@H](CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255827948 ADQAVOPYKHOKAM-QGZVFWFLSA-N 426.370 2.360 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)n1 2255831456 WFJJRAIIPNMQQG-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255875221 UOVDGMLDZNLNGZ-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256023194 MGGOJTDJASKRCG-INIZCTEOSA-N 433.358 2.298 30 10 IEEE CC(C)(C)OC(=O)Nc1cncc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1 2256672784 MWGXBLBRWWKCNN-UHFFFAOYSA-N 447.326 2.254 30 10 IEEE CN1C[C@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](NC(=O)OC(C)(C)C)C1 2256927888 OJEMBIAOBMSPTM-CVEARBPZSA-N 437.321 2.106 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258886779 SRYWQEQHCWROEN-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267142887 AEANSDPSOWCJBP-QDMKHBRRSA-N 446.357 2.369 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267164934 YIHPLUJSXQULTC-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CCn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267180532 FXFXKHCCMXXBGO-HUUCEWRRSA-N 448.373 2.330 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267181582 UKVHHMKZVBNCIV-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267292983 KTHUDPFOKPCCLW-OCCSQVGLSA-N 443.275 2.233 30 10 IEEE Cc1c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267498171 IOUSYXQOKSBSAT-UHFFFAOYSA-N 448.373 2.062 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267882043 NHZDZEBBMODTOY-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2268705091 AKKQKEHYCWLPGM-OAHLLOKOSA-N 448.373 2.447 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268792939 WMHQXLKNOKYAQU-SFHVURJKSA-N 446.353 2.151 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2301725671 QSOBRLHOONMHKX-CYBMUJFWSA-N 440.371 2.317 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322298733 ATGSAIFGRPFIPR-CJNGLKHVSA-N 437.321 2.472 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2329045177 UUOXHDUJKIRMNB-OAHLLOKOSA-N 432.506 2.267 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334265648 YAPAUIQHCUGQMJ-AYSMAOOMSA-N 448.325 2.133 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)[nH]1 2337025067 HRZORIPQYZUUQX-SJLPKXTDSA-N 447.385 2.453 30 10 IEEE COc1cc(NC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc(OC)c1 9530011 BBSIOWPKQSSQSS-ZWKOTPCHSA-N 447.538 2.446 30 10 IEEE CCOC(=O)c1ccc(NC(=O)C[C@H]2N=C(N/C(N)=N\c3ccccc3C)N=C2O)cc1 40376267 WGJRXSMZXLHBAC-QGZVFWFLSA-N 436.472 2.431 30 10 IEEE CCOC(=O)/C(=C/c1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 96792864 CJGFEYFKGHRCPV-SFQUDFHCSA-N 429.450 2.056 30 10 IEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)c(C)n1 102740880 XVMPWMBWIIRAKO-HQMFNGAOSA-N 442.541 2.299 30 10 IEEE CCOc1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)ccc1OCC(N)=O 254390937 XFPQVLQXRCEUPI-UHFFFAOYSA-N 426.498 2.482 30 10 IEEE C=C1[C@H]2C[C@]3(COC(C)=O)CC[C@](O)(C(C)C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@H](C)[C@@H]2C[C@H]1O 257377892 AMBIXBPMZZPLEH-MHGFGDDTSA-N 438.561 2.219 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](O)CN1CCCCC1 434417133 SRJDFQKQJFUDGR-HNNXBMFYSA-N 440.338 2.061 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)CC1 443334151 PYISVKINUCYGIC-UHFFFAOYSA-N 437.544 2.358 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1 476839246 WEZAPDVKXAJCCO-UHFFFAOYSA-N 436.555 2.468 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cnc21 488009377 ANJVLUYBOBLSRG-UHFFFAOYSA-N 430.443 2.370 30 10 IEEE COCC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(C)o1 488354117 ZMMMXLPBWKEMEH-GOSISDBHSA-N 446.529 2.253 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)ccc1F 488728593 SIHPJXOCKZKINR-UHFFFAOYSA-N 437.880 2.263 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 505729086 IUYPVXFJZTUOLV-GCJKJVERSA-N 448.951 2.272 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(-c4ccncc4)[nH]n3)CC2)cc1 512314519 SNXMEGYOEIOJGI-UHFFFAOYSA-N 436.497 2.383 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OC(F)F)c1=O 523476770 KRAFJEVRCMFFTQ-UHFFFAOYSA-N 448.491 2.420 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C[C@@H](C)C#N)C3CC3)cc2)C[C@@H](C)O1 533137851 GCZPSUCITZYNQC-YESZJQIVSA-N 434.562 2.047 30 10 IEEE C=CCCOCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 535307512 NFGCRCWQLQXEFO-MRXNPFEDSA-N 431.352 2.311 30 10 IEEE N#Cc1ccsc1C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 535420062 LCOJIPWEDNNXRB-UHFFFAOYSA-N 430.511 2.393 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)CC1 539453353 KPYROGQOQUVAPI-DHIUTWEWSA-N 438.503 2.314 30 10 IEEE C=CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 539831012 GMEUASCTELCFLR-UHFFFAOYSA-N 443.525 2.089 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 549685386 KBKQJNGBZFXLRZ-GOSISDBHSA-N 439.516 2.325 30 10 IEEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cnn2C)c1=O 556782183 HYBNOUXTLQQUID-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)c1cccc(C#N)c1 564086872 UYDMWXJECIYYOB-UHFFFAOYSA-N 442.541 2.170 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 568698067 FFRNQXRAGLZZTN-MRXNPFEDSA-N 438.561 2.351 30 10 IEEE COc1ccc(CN(C)C(=O)CN2CCN(c3snc(C)c3C#N)CC2)cc1OC 580009290 CZFKBIPGSCAHBE-UHFFFAOYSA-N 429.546 2.121 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 589320846 ZRKCKHSPMKRMGU-UHFFFAOYSA-N 444.517 2.092 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 592727920 GPGOWPXSDQUOLK-UHFFFAOYSA-N 437.588 2.236 30 10 IEEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603801878 UCXQILZMAMVABT-QFIPXVFZSA-N 434.544 2.167 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(F)c1 609253702 IGVBNDWJCTWMKZ-UHFFFAOYSA-N 442.516 2.402 30 10 IEEE CN(C)Cc1cc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 609664353 UIYBOEIXWDPWAQ-HXUWFJFHSA-N 437.475 2.280 30 10 IEEE CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3(C#N)CC3)cc2)cc1 609990240 APUNGNGVLGYIGA-UHFFFAOYSA-N 429.498 2.462 30 10 IEEE CSC1(C#N)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703980475 AOTBVSJJIGNJLX-UHFFFAOYSA-N 435.571 2.360 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cscn1 730140737 XNQJHUIOXAIBJL-QGZVFWFLSA-N 447.586 2.351 30 10 IEEE C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 741656457 CHUWJYOLCXYALS-CYBMUJFWSA-N 432.429 2.076 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CCC(=O)N2C)cc1 744008176 YJNUFAJUZWXKLF-PZJWPPBQSA-N 441.509 2.123 30 10 IEEE C=CCn1c(C)nnc1SCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 748354214 HGELJOBPXATEIF-DHDCSXOGSA-N 447.586 2.010 30 10 IEEE CO[C@H](C)c1nc(CN2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cs1 753119816 VJUZXSWDGXYKCU-CQSZACIVSA-N 435.575 2.082 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 756886747 PBGUFKZNWBWVEW-CGTJXYLNSA-N 428.489 2.293 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC23CCCC3)cn1 757914003 BGIYUWNHRPTMFP-IRXDYDNUSA-N 432.594 2.235 30 10 IEEE C[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763379069 ABNSHACIXGYXIH-ZUIHOSHSSA-N 434.537 2.302 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)ccc1I 778640501 PACQLVHICBOEFM-JTQLQIEISA-N 448.282 2.391 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 782758750 IBJROMMPPOPOPQ-POZUXBRTSA-N 443.491 2.071 30 10 IEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cccc4cnccc34)c2=O)c1 782925714 OJNDGPDEJOLNDS-UHFFFAOYSA-N 437.484 2.432 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 787057458 FIFCKQCJNQBOEC-AZUAARDMSA-N 434.452 2.472 30 10 IEEE COC(=O)[C@@H](NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(C#N)cc1 788403219 IENKOAJRJGNRQH-UNMCSNQZSA-N 439.487 2.219 30 10 IEEE C=CC[C@]1(C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 791715852 HTWYGCCLFDSTKM-JOCHJYFZSA-N 437.537 2.003 30 10 IEEE COc1cc(C#N)cc(OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 792673180 WIHZAGNSWUTKOX-GHXNOFRVSA-N 441.509 2.091 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCSC2)c1 794451553 YXGHGWMIDLXQCO-ROUUACIJSA-N 430.599 2.173 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2 796378337 PKWWHUNXTSCUSI-ZDXLNKQLSA-N 446.548 2.349 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCOc2c(Br)cccc21 800707833 WAMQSAKSTYGXAC-WKSPDDFDSA-N 435.278 2.098 30 10 IEEE COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C#N)CC1 802422627 DIGDONYTKBABBI-UHFFFAOYSA-N 434.460 2.093 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 804455801 ZSRPQPPOZQDADE-GHTZIAJQSA-N 441.509 2.499 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F 810575041 OVZHGTSAHWKDPY-NSHDSACASA-N 441.815 2.472 30 10 IEEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 917097060 UCSVTVLLYDACNE-OAHLLOKOSA-N 435.488 2.156 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)cc(OC)c1OC 1083952901 TTYXFJPRITXLMI-UHFFFAOYSA-N 447.477 2.304 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1 1083993130 MCZGXNPAQNVYEX-AWEZNQCLSA-N 425.518 2.416 30 10 IEEE COc1ccc(C(=O)Nc2cc(C#N)c(F)cc2C)cc1S(=O)(=O)N1CCOCC1 1133352589 ARMIIDIHIICDSO-UHFFFAOYSA-N 433.461 2.288 30 10 IEEE CCn1c(CCC(=O)N[C@@H](CC#N)C(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21 1134051254 XUIMAQILBQLGHW-HNNXBMFYSA-N 445.467 2.200 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)C1 1139145596 KBOPBZXGGRQXLA-KUHUBIRLSA-N 448.361 2.441 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N[C@H](C)CC)cc2)c1 1141715160 INXNRCLZZSUQNA-MRXNPFEDSA-N 427.526 2.056 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1=O 1165303883 UPMCWXSJTHTNQZ-UHFFFAOYSA-N 434.496 2.143 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3[nH]cnc3Br)CC2)c(Cl)c1 1189762438 IDDYHQFCYSCJDX-UHFFFAOYSA-N 430.715 2.208 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1286296984 UCRIUDJWUYYMQU-ZJPYXAASSA-N 433.553 2.469 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286380029 AXNLGJBFNKDPBK-KRWDZBQOSA-N 441.429 2.329 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389941 TXIAXWNVCDLQIG-LJQANCHMSA-N 439.541 2.117 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286397037 RFDFVUHVHYCCQT-AHRSYUTCSA-N 444.605 2.203 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286397502 AJLXDWLUTIRNKP-RBUKOAKNSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)(C)C)cs1 1286419995 JLOVJHUHTWAWNO-HNNXBMFYSA-N 448.618 2.154 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286609307 HZBYYVMJXJZKEQ-OAQYLSRUSA-N 426.565 2.158 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1nncn1C 1286613326 XRURUJBIFYQKQD-SFHVURJKSA-N 425.541 2.202 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 1286751038 LJAMKIXJOQQMQJ-FCHUYYIVSA-N 443.640 2.028 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCc2sccc2C1 1286766153 OGXZUBJSQBIQAU-UHFFFAOYSA-N 444.605 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(CC2CC2)CC1 1286822339 IPZOZNWSQOTWMY-UHFFFAOYSA-N 435.619 2.063 30 10 IEEE Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c(=O)n1C 1289683176 FYTXBBARYKOWNI-UHFFFAOYSA-N 447.543 2.457 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1 1293486983 YLKSGQZQQJZNCR-UHFFFAOYSA-N 440.565 2.370 30 10 IEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O)C1CC1 1295833675 AXGCEPZXSRXOED-MRXNPFEDSA-N 430.578 2.170 30 10 IEEE CC1=C(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)[C@H](C)n2nnnc2N1C 1297321688 HECQLQSVMPMEOP-YOEHRIQHSA-N 426.912 2.020 30 10 IEEE Cc1ccc(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)cc1B1OC(C)(C)C(C)(C)O1 1299216165 KORWFWXJKYBTIC-IBGZPJMESA-N 445.365 2.440 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1300282826 YFPREVXLDHNNEK-NRFANRHFSA-N 449.511 2.367 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H](C)CN2CCOCC2)c1 1300332594 JOQGEFXRDDSVNN-GOSISDBHSA-N 436.560 2.180 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1300381366 DDMOOBFLDMSQHP-UHFFFAOYSA-N 442.539 2.300 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300404016 SUMAHHBTTOVASL-OAHLLOKOSA-N 440.529 2.021 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(CC)cccc12 1300430438 MNLTUBKLKLPSDK-OAHLLOKOSA-N 428.562 2.244 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300468522 BYTJMNIQARSMOP-UYAOXDASSA-N 445.564 2.282 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1300496271 PBRBHPDEOQNWIL-KRWDZBQOSA-N 434.537 2.299 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300499552 UQIDBGSIWDDBFN-HKUYNNGSSA-N 445.614 2.034 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1301294500 RAPZWQXCLHMDAI-MRXNPFEDSA-N 431.545 2.092 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1301491156 MBBUTWFGVGMQOW-UHFFFAOYSA-N 442.470 2.342 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCN(C)C1 1301799433 DERQHBWUXAUZSH-XMMPIXPASA-N 449.559 2.235 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1303637521 WYCNWGLVPHUHME-ZWKOTPCHSA-N 435.532 2.192 30 10 IEEE Cc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)on1 1304901474 LFKRSVUXSMKZHW-HLLBOEOZSA-N 443.508 2.122 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCOc2ccccc21 1305789107 CPCYGQITBSTDBP-WMZOPIPTSA-N 438.532 2.492 30 10 IEEE N#C[C@]12CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1307223689 WXDIKVOFEXEFMI-QPUJVOFHSA-N 426.323 2.018 30 10 IEEE CSc1nnc(CCCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)n1C1CCCC1 1318814154 DABBGOOYGZUYSZ-HNENSFHCSA-N 432.550 2.080 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1358877180 YLJUEMYISRNYRQ-AWEZNQCLSA-N 439.488 2.040 30 10 IEEE C#CCCCn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1358935892 WTTFSZDDZAKQDA-AUSIDOKSSA-N 432.565 2.366 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1358946731 GYPKQASCSVLONM-WJOKGBTCSA-N 438.557 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C(F)(F)F)cs1 1358992175 CMULHCBGMJRYTB-CYBMUJFWSA-N 436.463 2.410 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1359140655 IJVHJLSGHOJGME-CUWPLCDZSA-N 425.533 2.382 30 10 IEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC 1359233440 FGUSOZOXVWFGQP-UHFFFAOYSA-N 432.319 2.018 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CC2)C1 1359292334 NENIHGIHIQWWSA-KRWDZBQOSA-N 442.951 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCOC[C@H]1C 1359335165 CGAJSTRGOCNWPI-QGZVFWFLSA-N 434.562 2.245 30 10 IEEE CN1CCc2cc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)ccc2C1=O 1437447991 AGURNLLHPGEXDI-IBGZPJMESA-N 431.452 2.030 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@@H](C)COC 1437608764 XMPZUILTRRPVQW-HOTGVXAUSA-N 425.507 2.045 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4CC(=O)N(CC(F)(F)F)C4)CC3)n[nH]2)cc1 1452950649 GFTZXMPHBNLWSX-MRXNPFEDSA-N 446.433 2.008 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)CC1 1455940104 GYOZWRGYFUOCEZ-UHFFFAOYSA-N 425.533 2.104 30 10 IEEE O=C(CN(CCO)CCOCC(F)(F)F)NCC#Cc1cccc(C(F)(F)F)c1 1459576531 XFCSQXZSVGMQEI-UHFFFAOYSA-N 426.357 2.046 30 10 IEEE C#C[C@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1461712319 NJFYIRZIVZHPKL-DYVFJYSZSA-N 428.348 2.404 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 1464815771 SOFIDFJLIBUHKF-LJQANCHMSA-N 437.581 2.463 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 1464849299 OVKQGASWALASLB-UHFFFAOYSA-N 437.462 2.291 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)C(=O)OC 1467515055 CNRGTYYRGDKVAL-HOCLYGCPSA-N 428.432 2.391 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1470544316 HSCXQCHDHZBFAS-ZACQAIPSSA-N 443.552 2.262 30 10 IEEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1473673790 SYAWNWDGXZSETJ-OAHLLOKOSA-N 429.945 2.210 30 10 IEEE COc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)ccc1C 1504100034 HWUROMKSRFMATM-CVDCTZTESA-N 441.532 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1nc2cccc(Cl)c2n1C 1507543960 XSTFUIAYZBPPCC-AWEZNQCLSA-N 425.924 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(=O)NC2CCCCC2)CC1 1507733646 GWTIMNUQCAMQHG-KRWDZBQOSA-N 428.581 2.206 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(C)=O)CC1 1507772406 PRXXPMYHIGYFOQ-SXWKCWPCSA-N 429.565 2.253 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1C 1508005273 PMDSWGIFQQSUJJ-QFIPXVFZSA-N 441.511 2.439 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1508090866 PTYFQHUIXNEEEK-UYAOXDASSA-N 441.532 2.061 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)c1C 1510399685 JKEAUFPDQJGUQA-IPMKNSEASA-N 427.505 2.179 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1517225534 GNVWVUKDIRIYDI-XGIGFIBQSA-N 436.516 2.334 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C)C1=O 1518511771 KGVAWKUXBOUDOJ-QHCPKHFHSA-N 438.532 2.474 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@H]2CCCO2)CCO1 1521122812 ZYIDOGBZEOTPMJ-RTBURBONSA-N 442.476 2.168 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 1534393720 ZBWGNUVCDDUFOW-HNNXBMFYSA-N 437.518 2.403 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1539013713 JRKYXUPCXLTCJF-AEFFLSMTSA-N 443.552 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539414111 SBHHFTHBGRDTIJ-QGZVFWFLSA-N 429.487 2.285 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1F 1539415198 AVAHNUNSCLYZNI-OAHLLOKOSA-N 440.928 2.107 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539454523 RCDJHACNKFPVOY-JOCHJYFZSA-N 428.625 2.123 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1539642185 IAXVRLSEXMTAFH-SIKLNZKXSA-N 441.580 2.226 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnnn1C 1540127277 QBCIRXKONIQNJH-FPOVZHCZSA-N 448.531 2.243 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 1540805724 MFGUYALXTLFEJT-QHCPKHFHSA-N 440.500 2.330 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1540867635 BXYACBSWXCGOIY-LJQANCHMSA-N 439.495 2.181 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)Oc2ccccc2F)n1 1543066309 AMVWMZXEHRBYCK-ZWKOTPCHSA-N 439.495 2.475 30 10 IEEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1544944267 YANAJIVNNUMQEL-RAJOGRCSSA-N 430.553 2.397 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(Cn3ccnn3)CC2)C1 1545860184 FNVOOWVTHJQUGB-UHFFFAOYSA-N 429.322 2.287 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1555240515 HEEHWKDSLQYPTE-HTAPYJJXSA-N 427.505 2.007 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4ccc(CNC(N)=O)cc4)CC3)n[nH]2)cc1 1557389516 GADUEFXYXSLSJQ-UHFFFAOYSA-N 429.484 2.079 30 10 IEEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1585421605 JCHITJKEJCVJQN-GFCCVEGCSA-N 430.313 2.144 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCc2nc3ccccc3n2C)s1 1585905043 PVDUPISBHOLQSS-UHFFFAOYSA-N 432.571 2.391 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(-c2ccc([N+](=O)[O-])cc2)n1 1587218791 ITYDPFRIXIRTGB-GAEBUCLRSA-N 427.486 2.498 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(F)cn2)c1 1587693714 WKRYFEHSDGXJMI-KRWDZBQOSA-N 434.475 2.421 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1587758552 BUUCSBUXAALGES-JOCHJYFZSA-N 449.603 2.291 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCS1(=O)=O 1588144073 SCYBRZVQYGELJA-INIZCTEOSA-N 432.496 2.187 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588174149 QUYLNVJSRKIEKH-DVECYGJZSA-N 448.527 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1C(C)(C)C 1588186086 RLLWJLRBKGSVKS-HSZRJFAPSA-N 439.564 2.176 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1594590894 DZHROPYGIDHPPD-UHFFFAOYSA-N 427.505 2.325 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1594720469 MGZTYHULISPGNC-QGZVFWFLSA-N 435.532 2.263 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1595141795 LHNYFIXXRRJGTG-GOSISDBHSA-N 444.605 2.489 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1595517276 VQVQGJKFHCEPON-IBGZPJMESA-N 449.559 2.108 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1595614431 TYUZKYRFUKZQEW-HKUYNNGSSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NC2CCCCC2)C1 1595679705 AGRWFPQTOUDUHV-AUSIDOKSSA-N 447.580 2.160 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1596596453 RAOLQOWSFBDRDC-MAUKXSAKSA-N 426.510 2.241 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1cncs1)Cc1cncs1 1598047348 KMIMFRXITAIAKI-CYBMUJFWSA-N 447.567 2.367 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1Cc1ccc(C#N)o1 1603674638 ZLODMKHVACRVGU-UHFFFAOYSA-N 433.516 2.415 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1611311901 OYLOASVSDFCYTP-GAJHUEQPSA-N 441.532 2.064 30 10 IEEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1ccccc1C 1613593615 JNNLSBJEURTYBL-UHFFFAOYSA-N 449.602 2.072 30 10 IEEE COc1ncc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1C#N 1617047755 AHQSCFJGHVTMDW-UHFFFAOYSA-N 440.525 2.490 30 10 IEEE N#Cc1cccc2c1CCCN2CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 1619791613 GFTITAXHRMISPM-UHFFFAOYSA-N 437.525 2.420 30 10 IEEE Cc1cc(N2C[C@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)ccc1Br 1623340190 IYCBXMFIPBAUJF-GFCCVEGCSA-N 444.289 2.348 30 10 IEEE COCCOc1cc(C(=O)OC)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1624415989 UXWKYUQMWGBIEP-QGZVFWFLSA-N 437.452 2.362 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccn1)c1ccccc1OC)c1cc[nH]n1 1624496755 DEXNKCZPTHCRNC-HXUWFJFHSA-N 437.456 2.003 30 10 IEEE Cc1cc(C(=O)NC2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1631254083 JPDQEXTYXHRQAR-INIZCTEOSA-N 433.509 2.291 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 1631286667 GGPFPQODGGKFOP-CYBMUJFWSA-N 430.486 2.214 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 1631960117 UPULUUKZFHOLCM-NRFANRHFSA-N 432.929 2.375 30 10 IEEE C#CCN(C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)C1CSC1 1632571817 PDLRDYDXRMXDND-UHFFFAOYSA-N 447.494 2.292 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1634177504 LEELUTLGEVQXCA-MRXNPFEDSA-N 444.513 2.294 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c3cnc(Br)cc23)c1 1635251020 MMVKIOTVMFRUFB-UHFFFAOYSA-N 436.291 2.437 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1cccnc1)C1CCCC1 1636371525 MFMJBDSOYHAKNH-IBGZPJMESA-N 426.542 2.428 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 1636651270 BOAKIMVDTCKTPZ-IBGZPJMESA-N 428.533 2.357 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 1638512961 LFXQGDQWHSAATA-ZDUSSCGKSA-N 447.586 2.477 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c(OC)c1 1639962642 PEMOMHMGPSVWKX-LEWJYISDSA-N 437.496 2.372 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1641564277 LENBLBLVUAKZLR-UHFFFAOYSA-N 426.542 2.367 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1642483679 FYAMZHBEMWGXRS-XMSQKQJNSA-N 425.554 2.357 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1642609401 PNILXKLMEBJVQS-KRWDZBQOSA-N 429.583 2.263 30 10 IEEE C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1643892266 JPKGOINEEHMHAP-OAQYLSRUSA-N 449.960 2.269 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)[C@@H]1CCCc2ccccc21 1645390026 OHEHLSGIQOBRCF-HTAPYJJXSA-N 426.538 2.499 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CCO2)cc1 1645728481 YPPOKMQRSWLWAV-LJQANCHMSA-N 433.917 2.480 30 10 IEEE C#CC[C@H](CCOC)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1648126691 MHHIOXVCHIVEQH-UZUQRXQVSA-N 436.508 2.431 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1648156150 XLBRYMOIBCXJLZ-NJNPRVFISA-N 447.557 2.429 30 10 IEEE CNC(=O)NC[C@@H]1CCCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1654515051 FINQPBPCNLXMSS-KRWDZBQOSA-N 426.521 2.340 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(O)Cc3ccccc3Cl)CC2)cc1 1654814265 QAMTUZDQETZHJU-UHFFFAOYSA-N 437.949 2.373 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OCC 1662024580 WZOIKHNMMHWPNM-NSHDSACASA-N 429.438 2.156 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CC(=O)N(C)C)CC1 1662573868 PCEGWMAMXYFSDX-UHFFFAOYSA-N 425.327 2.252 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1673303827 MSCYZUICUQRSON-FXAWDEMLSA-N 437.562 2.373 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(=O)NC[C@H]2c2ccccc2)cc1 1673398955 VWFVHOPLEPCKRR-IBGZPJMESA-N 428.514 2.198 30 10 IEEE COC[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CCCOC1 1685323636 BQMMMJCBUSHZJM-PZJWPPBQSA-N 438.532 2.222 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1)C1CCOCC1 1687124092 QXVRSWMNRISVMO-GHTZIAJQSA-N 433.574 2.123 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[S@@](=O)C(C)(C)C)CC1 1690128543 FNLLHPJTXVEAKW-WJOKGBTCSA-N 443.617 2.180 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCCC2)CC1 1690133795 UKQVBQQOJADOEI-UHFFFAOYSA-N 426.540 2.237 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCCN2CC)CC1 1690142541 PWSVEODLIKRHEI-OAQYLSRUSA-N 435.576 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690236801 RGVQZUOXMLEDMW-MOPGFXCFSA-N 440.548 2.133 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690315462 AVDKIHTZZCCDFQ-UHFFFAOYSA-N 449.559 2.357 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1690442032 LGCBCKOFXKIYFV-QRQLOZEOSA-N 433.578 2.473 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1690573916 IGUCQAZKJMAWAQ-FCHUYYIVSA-N 447.605 2.251 30 10 IEEE C[C@H]1C[C@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1693571421 ZMIMYAUIYBEXGC-IRXDYDNUSA-N 446.577 2.150 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC2CCOCC2)cc1 1697493259 HQBCNTGGQJLDLK-HXUWFJFHSA-N 427.505 2.411 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCSCCCO)CCO2)c1 1698485610 JUXBSRXAPJHQFG-UXHICEINSA-N 443.573 2.347 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1705479020 IHBJKTUQHLBVQE-JPYJTQIMSA-N 425.533 2.127 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1705549942 NURPYMDWAWABTG-UHFFFAOYSA-N 429.484 2.196 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1705570116 MVGVYULUGMCJBC-QGZVFWFLSA-N 433.603 2.451 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)nc1 1705606414 RGOGUYXOCSOIJH-UHFFFAOYSA-N 428.294 2.037 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC)cc1 1705627699 NQESQAPGPUJNPN-FQEVSTJZSA-N 425.533 2.056 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2C[C@H]2C(C)C)CC1 1705644376 OTNDQBLATGJKQP-ZWKOTPCHSA-N 435.532 2.108 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1705655010 AQWHIERCBXXNRH-UHFFFAOYSA-N 441.557 2.140 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705683169 AVKNZVQMQRYRLB-MRXNPFEDSA-N 433.354 2.407 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC(C)C)CC1 1705700529 UZFKNAGCTVFTDN-FPOVZHCZSA-N 441.580 2.263 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1705701437 GNJXXZGNZLVNRE-NQIIRXRSSA-N 442.539 2.451 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1705835283 GCKQFIIYICPZNW-QGZVFWFLSA-N 425.331 2.212 30 10 IEEE C=CCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705893760 SGIIXFLEIDCYJZ-AVRDEDQJSA-N 427.553 2.400 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1706060738 BZWGLRXPCPZSKU-NHCUHLMSSA-N 438.532 2.148 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1706070867 PYYWOEZLSAMHNQ-RDCVWBNRSA-N 440.895 2.116 30 10 IEEE Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1707865227 HSEWCXVVWHUKKX-VXPUYCOJSA-N 428.468 2.157 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1709581576 PIJWUJKLNRGZBS-HXUWFJFHSA-N 426.521 2.260 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1710002661 BIYIYECEFMVGIA-IBGZPJMESA-N 443.527 2.385 30 10 IEEE CN(CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)CC(F)(F)F 1711200619 CLANQEDBLNDBBP-DLBZAZTESA-N 441.502 2.190 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N 1711417725 BVDSLYXPERMBNL-UONOGXRCSA-N 436.607 2.419 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1cccs1 1712639243 CSVDQGQFGJUUCR-UQOODKLHSA-N 435.525 2.413 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365479 DTRCWKFXFDDRIM-HXUWFJFHSA-N 435.638 2.368 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1722427568 PRXJBEOHWOKRER-WOJBJXKFSA-N 441.576 2.338 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)C1 1722492970 HQIAFIPVPUCJAM-APWZRJJASA-N 426.477 2.113 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722603438 IXVRMKCDSKHKSU-VQTJNVASSA-N 430.597 2.271 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C)s1 1722629154 GKBBLOCXUGMNMU-OAHLLOKOSA-N 425.580 2.174 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1722657987 DUQTYEAKCJGNKM-SXLOBPIMSA-N 445.589 2.460 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722728208 SAQLNHRIUYXOPU-CQSZACIVSA-N 432.472 2.058 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1723788870 MVWRJKPGWVHEBD-YESZJQIVSA-N 448.568 2.329 30 10 IEEE C#CCCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740578678 LOROACLOKPEWEL-SELNLUPBSA-N 429.565 2.370 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1740619766 RHWSUXNUSJJFNH-HXUWFJFHSA-N 430.574 2.297 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@H](C)O[C@H](C)C1 1740634945 QWWFAHIUIBBRKL-BGYRXZFFSA-N 449.555 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCN(C)C)cc1 1740651663 JJQASLGYHYOCMN-UHFFFAOYSA-N 431.544 2.130 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)CC 1740669873 JDGFKRCKVQQMCZ-UHFFFAOYSA-N 432.569 2.330 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740782318 MORNEVNKTBQWBY-LBPRGKRZSA-N 442.467 2.128 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC)c1ccccc1 1740853978 BYGFOZCSYDGUTN-RBUKOAKNSA-N 433.578 2.427 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740879084 GDKWWVBTCWFVAW-QGZVFWFLSA-N 441.561 2.338 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740880999 TZYKSDPXNXLXBU-UHFFFAOYSA-N 436.557 2.066 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCS(C)(=O)=O 1740914165 AKTKBJNVEYKHNB-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C 1740921743 GXUBFIOIKASIEH-UHFFFAOYSA-N 428.518 2.348 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC)CC1 1740958537 DBYLMOCXUCDHEN-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740963932 BFAFHXZGWKWZMK-SFHVURJKSA-N 441.532 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@]2(CC=CCC2)C1 1740993568 AFRRCOIEOZQDEO-QFIPXVFZSA-N 447.605 2.328 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCn3ccnc3C2)CCOC1 1741127317 ZMORKCOPHJOEQB-KGVIQGDOSA-N 427.553 2.374 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1741408767 UIBOZOVCWGBQRN-LEWJYISDSA-N 441.532 2.395 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749238678 VVGFYSFKGYOIBS-DNVCBOLYSA-N 440.548 2.453 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccnc(C)n2)CC1 1749285530 NREUBJGBGLIHEK-WMZOPIPTSA-N 433.944 2.180 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749451624 ATZRKUHBZDPAGM-UHFFFAOYSA-N 429.569 2.460 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCc3nccn3C2)C1 1749694501 SVHBBJISXYEIRW-HKUYNNGSSA-N 441.580 2.437 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1)S(C)(=O)=O 1750090640 PTKRVXIATDNUSC-CVEARBPZSA-N 429.546 2.421 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1760097641 ICLVPFWOGORJNX-UONOGXRCSA-N 438.623 2.343 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760129754 XXONETDWOITVAY-UHFFFAOYSA-N 443.640 2.215 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760191293 FAOCFQSMHHKQPH-RTBURBONSA-N 434.606 2.453 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760359605 SNVLNDSCDHEJBT-FGZHOGPDSA-N 440.592 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760521305 PJNCEPFFIRWJKW-UHFFFAOYSA-N 433.472 2.422 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760525106 UKJSWLHLTFDZRT-CVEARBPZSA-N 430.503 2.122 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(CC)c1 1760552910 FRBOAMVIOLKFKF-UHFFFAOYSA-N 439.545 2.270 30 10 IEEE CCN1CCC(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1765408815 YPTKSINNCWYERY-NFBKMPQASA-N 446.596 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1772516232 HOHPVBUADNRNEN-UHFFFAOYSA-N 442.479 2.101 30 10 IEEE C=CCN1CCN(C(=O)c2c(CS(=O)(=O)c3ccc(C)cc3)nn3c2CCCC3)CC1 1848447514 TZXHXPXYKVEWBK-UHFFFAOYSA-N 442.585 2.446 30 10 IEEE C=CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)CC1 1850878310 DWFHMKCGPDOWOQ-HXUWFJFHSA-N 431.533 2.046 30 10 IEEE CN(C)c1ncc(C(=O)Nc2nc3n(c2C#N)CCCC3)cc1I 1851098970 OVFWJHPAAFLXOZ-UHFFFAOYSA-N 436.257 2.409 30 10 IEEE N#Cc1cccnc1N(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)C1CCC1 1851653006 WATZHEJYZIWCFP-NRFANRHFSA-N 438.553 2.180 30 10 IEEE Cc1nn2c(C)c(C(=O)NC[C@H](c3ccc(F)cc3)N3CCN(C)CC3)cnc2c1C#N 1851753924 YMKJLPFXFJLGAV-OAQYLSRUSA-N 435.507 2.075 30 10 IEEE N#Cc1cc2c(cc1CC(=O)NCCN1CCN(c3cccc(Cl)c3)CC1)OCO2 1852173277 VPJBHYOBLZGSDG-UHFFFAOYSA-N 426.904 2.421 30 10 IEEE Cc1nc(N(C)C(=O)[C@H]2CN3CCN2CC3)c(C#N)c(C(F)(F)F)c1Br 1852406244 NCTDWAHTVGBNER-LLVKDONJSA-N 432.244 2.006 30 10 IEEE N#Cc1ccc(C2CC2)nc1C(=O)N1C(=O)CCN1S(=O)(=O)c1ccc(Cl)cc1 1852956495 HJQCBPCOJRABAA-UHFFFAOYSA-N 430.873 2.462 30 10 IEEE Cc1ncsc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1=O 1854354112 FIUGRGKDQPQUPA-QGZVFWFLSA-N 427.505 2.021 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1 1854719099 OLPNWJQNCUFDHY-HNNXBMFYSA-N 429.473 2.078 30 10 IEEE CCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858976969 DVHUUICCGGMHDY-UHFFFAOYSA-N 428.514 2.319 30 10 IEEE COC(=O)c1c(C)oc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2O)c1C#N 1859647729 FWNKKTXLOHFNRG-UHFFFAOYSA-N 428.788 2.404 30 10 IEEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868781844 BFWFGOFHWFCLRF-LPHOPBHVSA-N 431.606 2.082 30 10 IEEE CCCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868795305 JZQKRLHWSGBTLI-OALUTQOASA-N 447.605 2.034 30 10 IEEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1870149160 HUTZCTZGQKHXNM-HNNXBMFYSA-N 426.440 2.002 30 10 IEEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870794345 KSMMRZHJSWXDTC-UHFFFAOYSA-N 449.529 2.016 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCOC)CCOC)n2CCCOC 1873559675 XOLKQVGPGSBNMD-UHFFFAOYSA-N 445.564 2.381 30 10 IEEE COc1cc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)ccc1O 1874261922 ZEHPIZBANOKWHJ-LIMNOBDPSA-N 449.439 2.309 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3C(F)(F)F)CC2)CC1 1889297205 JOYPWRNZWGKLTD-UHFFFAOYSA-N 438.494 2.363 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(I)sn2)[C@H](C#N)C1 1983275199 JKYVWXBZEIZIIQ-SECBINFHSA-N 448.286 2.333 30 10 IEEE C#CC[C@@H](CNC(=O)OC(C)(C)C)Oc1nc(C)nc(I)c1N 1986524654 OEKZKYVLZQLYDH-JTQLQIEISA-N 432.262 2.267 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2011816460 VMNOWLZAOBETKT-PXIJXODZSA-N 441.525 2.330 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022914987 TVKREBVICPFPLH-HZPDHXFCSA-N 439.553 2.429 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2049161991 ISKPVXIBGVKFIN-MSOLQXFVSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2052710990 GRGGXSVGRJFNKT-DOTOQJQBSA-N 436.358 2.286 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626548 YBOUVJBOJIVIGK-PBHICJAKSA-N 434.342 2.223 30 10 IEEE Cn1ncc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1NC(=O)OC(C)(C)C 2124543947 YIIUPSMQKHAKGT-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNc1cnn(CCN(C)C)c(=O)c1Br 2197000343 OFTFZJFHJVDHSZ-UHFFFAOYSA-N 444.374 2.450 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2255536622 LFKPREOSBRMECO-UHFFFAOYSA-N 429.326 2.216 30 10 IEEE CC[C@@H](CN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255615187 PGOYADBTJLMKIA-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255629143 RMGJKQYTMHHHPY-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630725 OEMBXJUFAHAHNV-CABCVRRESA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCC1 2255830186 BJNJCGKZOOERRZ-UHFFFAOYSA-N 434.346 2.134 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255872816 DUSQZAXMQZQPIL-GJZGRUSLSA-N 433.358 2.215 30 10 IEEE CN1CCC(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)(NC(=O)OC(C)(C)C)CC1 2256621617 XDLMMYXXWJYCMD-UHFFFAOYSA-N 435.374 2.117 30 10 IEEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267140785 FQULGWLZGVATOB-GOOCMWNKSA-N 446.357 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2267272879 FCODGYJJJUJYMB-CVEARBPZSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267579483 UBRIMRVYCIXSAW-CRAIPNDOSA-N 446.353 2.255 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267592655 GAQSCLQIPAFQPJ-XLIONFOSSA-N 436.365 2.416 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1 2267595332 DSHCWHZZPGWSLB-UONOGXRCSA-N 438.255 2.282 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@@H]21 2267832491 HHVKLPYTTHMQRC-OALUTQOASA-N 445.369 2.393 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872166 HDJXDTKQEAULQQ-AWEZNQCLSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873960 VEANYVLDKPKXHY-GASCZTMLSA-N 446.357 2.199 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649892 PBCCPQLYPGYPEM-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE CC1(C)OB(c2ccc(Cn3nc([N+](=O)[O-])nc3Br)c(F)c2)OC1(C)C 2368987241 VYCCEYWYMAEQDE-UHFFFAOYSA-N 427.039 2.435 30 10 IEEE CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 25431626 OLMMEMBWTUYCBY-SFHVURJKSA-N 445.545 2.359 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 102691926 RUVGDQJNKFUXAI-LCPUNJGISA-N 426.469 2.351 30 10 IEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)cc1 102743647 ZULSJJIJRIHOCA-LAFOYAEKSA-N 440.500 2.187 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)n(C)n2)c1 219950309 UCRSXOLJGRGDSU-HNNXBMFYSA-N 434.456 2.059 30 10 IEEE N#CCNC(=O)CSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226827040 OWMFTCKCQYFWJK-LJQANCHMSA-N 439.493 2.351 30 10 IEEE CC(C)(C)N1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C1=O 248229240 KITSBBWHGQBTJI-GBWYYYKWSA-N 447.491 2.374 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CSc1nnc(-c2ccc(F)cc2)o1 465118616 FODDUEGYJPEDFR-ZDUSSCGKSA-N 439.476 2.367 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 472258641 OQHAATDQVVYMDK-HSZRJFAPSA-N 439.537 2.197 30 10 IEEE C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480946727 DJZXSLFIXGQUDD-JXFKEZNVSA-N 448.548 2.144 30 10 IEEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C2 483095148 GBXJJXUXOSEFNY-GAJHUEQPSA-N 440.500 2.068 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cn2)CC1 500657573 XNABBCUQECXOCU-UHFFFAOYSA-N 449.603 2.369 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 502653505 SGLFJKZTJUQDAO-QHCPKHFHSA-N 428.533 2.467 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)cc1 507955532 ZDDMTDXAVHNAEU-UHFFFAOYSA-N 437.521 2.291 30 10 IEEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1F 516323423 IJTFZYBIMBQGNA-UHFFFAOYSA-N 433.358 2.450 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516830361 WCLBFCIIJRUBKZ-UHFFFAOYSA-N 437.565 2.283 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@H]1CCCO1 527028180 VXMRCKFLJQIAOP-MRXNPFEDSA-N 447.507 2.056 30 10 IEEE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544831667 IHTFQDGHKREDPN-JOCHJYFZSA-N 444.539 2.467 30 10 IEEE COc1cccc([C@@H]2[C@@H](NCC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCN2C2CC2)c1 549476258 CVIZJJFUAMHQLQ-JBRSBNLGSA-N 439.604 2.255 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Br)c1C#N 565837164 LTMVURBSMZWFMY-MRXNPFEDSA-N 436.331 2.299 30 10 IEEE COC(=O)c1cc(I)cc(NS(=O)(=O)c2cncc(C#N)c2)c1 568691965 VYRMQACDQUONTI-UHFFFAOYSA-N 443.222 2.145 30 10 IEEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)CC3)CC1 580966219 YFHYGZOBFMSLRH-TZIWHRDSSA-N 448.571 2.037 30 10 IEEE Cn1c(N/N=C/c2ccc(O)cc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 606629981 IICZCNYJTOVXNN-FOKLQQMPSA-N 438.875 2.287 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)cc1 729250701 HVKDJBVWNCDTHO-QGZVFWFLSA-N 429.517 2.256 30 10 IEEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742091622 WBDKXHTZKTVLNU-LIRRHRJNSA-N 445.589 2.238 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OC(F)F)c1=O 748065131 IFTBHROLFULBRM-UHFFFAOYSA-N 434.464 2.030 30 10 IEEE CC(=NOCC(=O)NC[C@H]1CN(CC(C)C)CCO1)c1ccc(NC(=O)C2CC2)cc1 749787707 WFQSZJSQCACCCC-NRFANRHFSA-N 430.549 2.249 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CCCCC1 760409836 VQYLSNKNJHMOFR-SFHVURJKSA-N 447.557 2.224 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)c1 766633235 AFVOCSGTMFPWLF-IBGZPJMESA-N 443.525 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)C1 774239569 MLUHMPLHLMBFNU-UHFFFAOYSA-N 425.482 2.069 30 10 IEEE C#CCN(Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1)[C@H]1CCS(=O)(=O)C1 775907748 LTEQVLZHXLVOTK-KRWDZBQOSA-N 447.509 2.276 30 10 IEEE C[C@H](OC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N(C)CCC#N 782396316 LHRZESJUSPXCMJ-CJKQYIFKSA-N 437.537 2.389 30 10 IEEE C=CC[C@]1(C(=O)OCC(=O)N2CCC(C(=O)OC)CC2)CCCN1C(=O)OC(C)(C)C 791718382 BANADDXJTFZGMA-JOCHJYFZSA-N 438.521 2.287 30 10 IEEE C=CC[C@]1(C(=O)NS(=O)(=O)c2cnn(CC3CC3)c2)CCCN1C(=O)OC(C)(C)C 791887216 NEONPGNLRROQBQ-HXUWFJFHSA-N 438.550 2.444 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 792746207 IKAFUWKUXGPMJO-OALUTQOASA-N 443.573 2.056 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 801474338 SVCWZKIJHHFUMI-FUHWJXTLSA-N 442.516 2.395 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 803520928 VLHMUZLIYOFMBI-IBGZPJMESA-N 430.501 2.211 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)c1ccc(C(F)(F)F)nc1Cl 811132163 GWUWGZMFFNRCJO-PEZBUJJGSA-N 431.754 2.396 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)nn1-c1ccc(Br)cc1 813983026 DUBKJSRPXMYUPF-UHFFFAOYSA-N 446.286 2.329 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1124738334 FUYBFBNUAWYLAG-SDQNTSPESA-N 444.513 2.496 30 10 IEEE COc1c(F)cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1F 1141089922 ARIDBOJKILJJRB-UHFFFAOYSA-N 439.440 2.439 30 10 IEEE Cc1[nH]nc(Br)c1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1141514764 CQUWBLWHHAMHOB-UHFFFAOYSA-N 428.294 2.483 30 10 IEEE C#CCN(CC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)C(=O)OC(C)(C)C 1142582386 KRSWFRLXMPHGPR-UHFFFAOYSA-N 438.546 2.188 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1c2ccccc2CN1C 1152052065 CNAJCNZDVLOZMR-PMACEKPBSA-N 440.569 2.443 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)c1 1153253715 NWMASFWUPNWIAA-FQEVSTJZSA-N 440.521 2.401 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(F)(F)CO)CC1 1171647823 KCBJQHQSTCSQCL-CQSZACIVSA-N 426.533 2.461 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)OC)n2C)c1 1181092567 WUCDPIXEWXDQAY-LJQANCHMSA-N 443.525 2.091 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1 1181755025 BZEFHJMTXBRLCG-DLBZAZTESA-N 441.525 2.228 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1192468887 RPIGTCRMLGHWGP-IEBWSBKVSA-N 442.603 2.429 30 10 IEEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)C1 1280468381 SNBVEXIWYTZVAH-LJQANCHMSA-N 445.585 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1286290587 TVLBAPNRAPKHAK-LSDHHAIUSA-N 440.529 2.019 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2cnn(C)c2)c1 1286311905 RNSPIDJXJKZCCT-HXUWFJFHSA-N 433.516 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1cccnc1N1CCOCC1 1286431851 ZFJQJWXKOSULTG-OAQYLSRUSA-N 434.544 2.263 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1SC 1286469695 WZNGSDKROZBLLX-UHFFFAOYSA-N 431.537 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](OCC(C)C)C1 1286820392 KTINSOHTVQRBDP-QZTJIDSGSA-N 426.583 2.024 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCNC(=O)c1cc[nH]n1 1288908712 DNHUXKKFTKQGLR-GJZGRUSLSA-N 440.483 2.449 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCn1cc(Br)cn1 1290865238 NGAGIIMZKHZTJF-QGZVFWFLSA-N 433.358 2.203 30 10 IEEE CCc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1292999384 OOGXPMKYXVYZJT-SFWWKFLBSA-N 439.347 2.387 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H](C)O1 1293636786 DQYDCCFVZSWJJQ-VQIMIIECSA-N 426.521 2.259 30 10 IEEE N#Cc1ccccc1COc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c1 1299141106 CJYGALORDCAJFF-SFTDATJTSA-N 426.494 2.165 30 10 IEEE C#CCCCn1c(N2CCC(N3CCCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1300425027 QUNMZIIQAXXDKA-QHCPKHFHSA-N 429.565 2.325 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CN(CC(C)C)CCO1 1300464428 DUOZFURTMNGAQZ-RXVVDRJESA-N 425.533 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCc2ccccc21 1300553749 QZGUCGNHXDFKPV-HXUWFJFHSA-N 430.556 2.428 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)(F)F 1300635170 GCUPFXFAPWYXNN-UHFFFAOYSA-N 436.438 2.244 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCN1CCOC1=O 1300642884 WQGKSDSTARIFIQ-UHFFFAOYSA-N 442.495 2.038 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)OC)C1 1300750971 CXVCXZFDFZTGAE-INIZCTEOSA-N 428.514 2.430 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C(C)C)CC1 1301004097 SOLJGJIVVZXOMP-PMACEKPBSA-N 449.596 2.290 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301508711 RLDBZHWYHVEGIE-LJQANCHMSA-N 427.553 2.107 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 1301509678 LTGQIZKPTOECLZ-UHFFFAOYSA-N 438.576 2.060 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1301808526 FFUHVTOIBBKIEZ-OAQYLSRUSA-N 438.576 2.248 30 10 IEEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1301984750 VLNATFLUHVNOMJ-INIZCTEOSA-N 439.564 2.169 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1302211415 ILMHIOCDLAJUPB-RTWAWAEBSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCCO[C@@H](C)C1 1302244155 VFJWIDVRYJUWRT-MUGJNUQGSA-N 434.585 2.099 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCCCC2)CCOC1 1303489741 NTJHEXBLXXYASB-HSZRJFAPSA-N 444.580 2.461 30 10 IEEE CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1305712492 GWSZOHXBSNVKEU-XQBPLPMBSA-N 434.560 2.361 30 10 IEEE CN(C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 1308101055 VBDUCXKPGIOJPL-VJBMBRPKSA-N 441.528 2.244 30 10 IEEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1315049621 HESFOMUTSRZWFA-UHFFFAOYSA-N 445.527 2.319 30 10 IEEE N#Cc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1316533814 FFUFMIMXGYDORV-UHFFFAOYSA-N 434.500 2.047 30 10 IEEE C=CCO[C@@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 1320322426 VHETZCDQJLQDFQ-GOSISDBHSA-N 434.562 2.153 30 10 IEEE Cc1cc(C2(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)CCOCC2)on1 1357483968 LFLZJLGMMJQPFM-CLCOLTQESA-N 446.529 2.483 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1358890173 MBIFMLHTLDJAKE-WIYYLYMNSA-N 438.576 2.275 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1358920245 VUWONZWSIGBUDB-IEBWSBKVSA-N 431.562 2.270 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1358922302 AVUTYQXUXNQTAN-UHFFFAOYSA-N 438.532 2.370 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1358927348 VLXAOVOHCRPIRY-KRWDZBQOSA-N 447.543 2.180 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1358953296 ROYPZMMXOYKSHG-QURGRASLSA-N 434.500 2.070 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2ccccc2)CC1 1358978889 XHODLGXAGONXJZ-QHCPKHFHSA-N 446.599 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@H]1C 1358986852 JEIYQMCBYORFDP-MRXNPFEDSA-N 445.365 2.219 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359015303 PCZVFBQXDUAIQW-YRPNKDGESA-N 433.597 2.349 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCc2cc(OC)ccc21 1359023645 QMXVHZUSTHEETF-GHTZIAJQSA-N 437.544 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1359047651 OHTGSFGACXKUDO-UYAOXDASSA-N 431.581 2.376 30 10 IEEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359136161 BEHRYFRMBKIZRW-GOSISDBHSA-N 449.939 2.054 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1359240148 HAJDKNJTYKIQMX-UHFFFAOYSA-N 447.609 2.288 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1359275604 YQCBCMAWQDDSBE-IBGZPJMESA-N 430.574 2.330 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359293941 FKMJGHRFABHMMF-MSOLQXFVSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1359302986 AAUWJDGJVQESTR-IBGZPJMESA-N 436.560 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1359334330 BDUQTMQIIULRHX-UHFFFAOYSA-N 440.610 2.447 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359461544 AKOCOFZERNMTPQ-NHCUHLMSSA-N 438.532 2.403 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)CC1 1360788873 HTMFDDYVFWTTFY-UHFFFAOYSA-N 446.515 2.391 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)cc1 1437478865 JULXNZFGCNXMSH-DOTOQJQBSA-N 439.434 2.481 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cccnc3N3CCCC3)C2=O)cc1 1453206897 WUPFKINJTRHNJK-IBGZPJMESA-N 432.484 2.075 30 10 IEEE Cc1ccc2c(c1Br)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1453996858 BZGMGSWCPOFQHO-UHFFFAOYSA-N 434.315 2.450 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)C(C)C)cc1 1454250227 VHFPTYWKOSIXFT-NRFANRHFSA-N 426.542 2.493 30 10 IEEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OC 1455841275 SKIUMZOXYFQJQN-HNNXBMFYSA-N 443.953 2.150 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc4ncc(Br)cn4n3)C2)nc1 1456064980 PVFVQKIPAZHAPZ-AWEZNQCLSA-N 426.278 2.475 30 10 IEEE CC(C)(C)OCCCN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1460694850 KADFAHPLELIUCU-HXUWFJFHSA-N 447.649 2.280 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CCC(C(=O)OC)CC1 1466089340 UKKAUFXUDRACIP-LQZXRHCMSA-N 446.928 2.414 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1=O 1467935894 GJGRWXYSNOBZRI-GOSISDBHSA-N 426.517 2.427 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)c1ccccc1 1470662676 JPNJIHMSQTZGFT-RTBURBONSA-N 428.533 2.423 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)c1cc[nH]n1 1471716170 HLTCRUMYMRBKFF-UHFFFAOYSA-N 433.774 2.077 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CC[S@@](=O)C(C)(C)C 1494135190 BZQXVBXVIKEXHT-PBNKOMEISA-N 442.593 2.079 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1494622210 LEZDXIFIJNKBBP-KRWDZBQOSA-N 430.578 2.249 30 10 IEEE CCOc1ncccc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1502924106 CPSZIGIVJBRARY-SFHVURJKSA-N 435.444 2.424 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccs1)N(C)C 1504998880 LGTZRTUEZLBNFO-IKGGRYGDSA-N 434.566 2.095 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C1 1505017152 HXSFWPPVRHEYEW-NRFANRHFSA-N 435.532 2.425 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](OC)c1ccccc1 1505082359 QDYCRVDPOZUZGQ-NMLBUPMWSA-N 427.505 2.119 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1507596140 DFJJWXHMQZZTJI-QZTJIDSGSA-N 443.552 2.346 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1507764752 CXGKRZLSVJQINK-JOCHJYFZSA-N 440.573 2.368 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCCOC)C1 1507774383 DATWCHXZBNJWCT-OAHLLOKOSA-N 442.358 2.055 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507812558 XRVIOWIVSUWCDA-UXLLHSPISA-N 445.486 2.301 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1508008710 RGLDDDPXFFATGU-HNNXBMFYSA-N 447.590 2.104 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)C1 1508115328 IVLQCWPXVHLHSZ-HXOBKFHXSA-N 441.532 2.222 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1([S@@](C)=O)CC1 1516617994 GUFUCMOXTAQVIT-YVGXBJCXSA-N 429.546 2.175 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1519289070 AFBAXJAZHRKEIN-IGGDJGDASA-N 446.552 2.155 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1539044495 BWLYOESMMOJBNH-UHFFFAOYSA-N 440.523 2.208 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1539224645 IRGQBVUBRFZNRI-IBGZPJMESA-N 441.582 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCOCC1 1539288567 IDRHYXOFLNJZSQ-UHFFFAOYSA-N 427.936 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)CC 1539306977 PAKVTISIAXPFJJ-UHFFFAOYSA-N 449.964 2.009 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCNC(=O)c2cccc(O)c2)CC1 1539437861 IGJUYPSHKDJJDU-UHFFFAOYSA-N 448.527 2.127 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 1539548653 MOIHNNQKGYYFNH-RBBKRZOGSA-N 447.457 2.404 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1539599402 FEKGEERQNNVOIL-CYBMUJFWSA-N 435.388 2.340 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCOCCS(C)(=O)=O)CC1 1539894378 FLWSDWRLVFMCAQ-UHFFFAOYSA-N 439.607 2.097 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539967708 KYYZOXKWVQYVAR-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1540121738 MHQOBLNCNKRMIV-LJQANCHMSA-N 449.515 2.136 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1540122525 WNYUYBKVZFCNGX-IBGZPJMESA-N 449.559 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccccc1 1540897952 WODKGTPQHMRPRM-IBGZPJMESA-N 443.573 2.456 30 10 IEEE C[C@@H](CC#N)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1543278849 PYWQBSCDKBXUQN-NSHDSACASA-N 427.299 2.167 30 10 IEEE Cn1ncc(I)c1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1545009919 BKGFZFCZOSFDSN-UHFFFAOYSA-N 432.225 2.393 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C 1545057971 CHNGSDDJVSWZLV-OKILXGFUSA-N 436.438 2.499 30 10 IEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1545125892 TZCKTSYHCYXBNN-GHTZIAJQSA-N 440.548 2.065 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCCCS1(=O)=O 1546528796 CGDRITNRCQEKCE-KRWDZBQOSA-N 446.552 2.145 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CCOC)CCCC2)CCOC1 1547918445 FKSLINLNOIYTPO-AVRDEDQJSA-N 433.553 2.256 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1554972387 FHFFIXKAOLLBTM-KRWDZBQOSA-N 445.545 2.040 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1555685491 WDKWPXAXNXKNGI-OAQYLSRUSA-N 448.527 2.375 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nnn(Cc3ccccc3F)c2C)s1 1556366238 IOWGRXFQBPWHAC-UHFFFAOYSA-N 449.533 2.481 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1OC 1556619976 XVRSCQPKVYXZPW-XLIONFOSSA-N 438.546 2.403 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)c1 1560025365 JTQOCVCQJGGTAU-UHFFFAOYSA-N 427.530 2.022 30 10 IEEE C=CC(C)(C)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1569012954 VKAIKVVWEGXXLO-HNNXBMFYSA-N 445.379 2.311 30 10 IEEE C[C@@H](CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)NS(=O)(=O)c1cccnc1Cl 1585233766 ZCVJKUJTUNJVHN-AWEZNQCLSA-N 447.948 2.465 30 10 IEEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1586074149 IEKAVQLVBUYYEQ-UHFFFAOYSA-N 449.330 2.165 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C(=O)OCC 1588121422 DMPTZAXQPNJIEA-AWEZNQCLSA-N 432.926 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N(C)C 1588229602 YYJSFGFGKCSMDO-QZTJIDSGSA-N 445.614 2.008 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)c(OC)c1 1588628543 KZOFGFWRMGEJSX-UHFFFAOYSA-N 437.500 2.457 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CCC2)CC1 1588752025 PLXLCTNNUMKAPI-JOCHJYFZSA-N 433.622 2.360 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CC2)CC1 1589109982 MESLFWDTHFGGNF-UHFFFAOYSA-N 444.630 2.168 30 10 IEEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595890397 SDBCTEUDZAXHEV-QGZVFWFLSA-N 435.981 2.393 30 10 IEEE COc1cc(/C=C(\C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc2)ccc1O 1598568318 UDUDXNDXEFDEIA-OIMQQJCCSA-N 438.505 2.338 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1615316610 HQFASWXMQALHGH-PMACEKPBSA-N 449.559 2.180 30 10 IEEE C#CCN(C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C1CCN(C)CC1 1617454420 OBGLILYOHZCEBT-OAHLLOKOSA-N 441.391 2.415 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCOCC(F)F)cc1 1620349088 FPQCUXBDMBWJHU-IRXDYDNUSA-N 430.459 2.346 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC2=CCCOC2)cc1 1620351779 GCFQONBQIJUHPO-UHFFFAOYSA-N 436.516 2.167 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)nn(-c2ccccc2)c1N 1625336389 BIGSKYXSIYRIAF-HNNXBMFYSA-N 448.449 2.176 30 10 IEEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1F 1625871175 IARUQHBXDWFCJZ-UHFFFAOYSA-N 444.257 2.194 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1 1626149817 HMTRIJIQNHBQKI-HSZRJFAPSA-N 429.517 2.217 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc3c(Br)cccc23)CC1 1627015284 MLQUQZHOIFXGGU-UHFFFAOYSA-N 428.330 2.500 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)[C@@H](CO)C1CCC1 1627448103 LGLWWFSMDFNOCB-FQEVSTJZSA-N 441.553 2.305 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccc1F 1630283041 NOQVUDRALUKGAI-UHFFFAOYSA-N 447.532 2.181 30 10 IEEE CCNc1ccc(C#N)cc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1630543336 LWIGKZKAAPMPKT-HNNXBMFYSA-N 436.534 2.353 30 10 IEEE C#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1637986953 WVSXVFWOGBTSLU-MRXNPFEDSA-N 437.315 2.364 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)=NO1 1638911468 TUTHIRHUMHMVPY-HOTGVXAUSA-N 428.493 2.026 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1F 1640266220 RMMCCVNEQIYKQR-MRXNPFEDSA-N 433.505 2.307 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1Cc2ccccc2CO1 1641309390 XCDILPYFFMKTLY-AZUAARDMSA-N 441.553 2.398 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1641454015 XOVASLYKXWXCIK-FZMZJTMJSA-N 436.308 2.367 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OCC)cc1 1641920913 BOTXVZDRSXBOEQ-LJQANCHMSA-N 429.517 2.481 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)cc1 1645669802 VNHVXKPQABUBMC-HXUWFJFHSA-N 448.566 2.153 30 10 IEEE CCN(CCC#N)C(=O)CN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1648330523 HFHPVIQLYRFTCN-BGYRXZFFSA-N 433.597 2.297 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)CC2)o1 1648579801 KDEKALHDSGGPNR-UHFFFAOYSA-N 435.525 2.071 30 10 IEEE C#CCN(CC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1)C(=O)OC(C)(C)C 1654379892 KYWYKOPXBJUVFK-CQSZACIVSA-N 449.479 2.316 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1 1661808167 NVLOVSCAPOPCEC-IBGZPJMESA-N 432.567 2.356 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)C(=O)OCC 1663611287 PFAVQFLIRLNBIZ-MRXNPFEDSA-N 426.922 2.265 30 10 IEEE C#CCN(C(=O)NCCCc1nnnn1C)[C@@H]1CCOc2ccc(Br)cc21 1676722097 AYAVEKWLIMUDLW-OAHLLOKOSA-N 433.310 2.074 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)C1CCOCC1 1684037207 UYFKKCOZPCZUPW-UGSOOPFHSA-N 427.314 2.467 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1684642022 XDFNAIVUDGTEFO-FQEVSTJZSA-N 428.533 2.447 30 10 IEEE CCC1(N2CCOCC2)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1686056564 ZPXFUORQIJSATD-ZWKOTPCHSA-N 435.569 2.032 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC[C@H]2COCCO2)c1 1689872137 PGDXSGYXGBSIBR-FQEVSTJZSA-N 425.533 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOCC(F)F 1690015315 IEFFPKGMZNLQSM-UHFFFAOYSA-N 426.427 2.339 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)Br)CC1 1690122258 LTDFDGWVOPLNLD-UHFFFAOYSA-N 425.281 2.391 30 10 IEEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690481151 VNOKLWKUXXZEFX-UHFFFAOYSA-N 432.532 2.435 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)=O)CC1 1690682179 HDHBUHZMMQLQSW-UHFFFAOYSA-N 435.532 2.350 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)on2)C1 1690689353 CCDCSNADNHULHH-SFHVURJKSA-N 443.529 2.475 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)C1 1690699169 AKDXNOCUMMAFQA-LSDHHAIUSA-N 437.591 2.029 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1692571715 DZKUSBSPHWDVLL-INIZCTEOSA-N 446.577 2.148 30 10 IEEE CCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2C#N)CC1 1696438681 PWFPHRSDEVPZOQ-FPOVZHCZSA-N 440.548 2.237 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCn2ccnc21 1696902076 BBPOTQQUMWKIGO-QFBILLFUSA-N 432.532 2.409 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(F)c1 1697460294 CBRNGUVTHGGCJL-PGRDOPGGSA-N 445.495 2.243 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1698152341 ZMWGSYRKDAPTIQ-DLBZAZTESA-N 442.520 2.106 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1698193010 RGIUSPANKWCCLL-LEWJYISDSA-N 441.532 2.254 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccc(C)s1 1705487645 BIXKHVLJXGISDV-CQSZACIVSA-N 432.575 2.090 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1705493098 CFMGOKGVBSHRTP-FXAWDEMLSA-N 434.544 2.362 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)NCCOC)CC1 1705530034 RMDCNTSKMIGLKW-UHFFFAOYSA-N 425.533 2.346 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705562329 AAHIDRZORKNQIP-BZSNNMDCSA-N 432.546 2.288 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1705566375 NGFXIYCMXOPOPN-HKUYNNGSSA-N 449.621 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](Cc1ccccc1)OC 1705581308 YBHGYJSOUBZOLT-LJQANCHMSA-N 431.496 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C(N)=O)nc1 1705597456 GGPRJDMILRDJHO-UHFFFAOYSA-N 434.450 2.152 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705821433 WTAOFDATRBGVPE-SFHVURJKSA-N 443.577 2.001 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1F)C1CC1 1705893568 ALTWNLXPRKSOFL-UHFFFAOYSA-N 426.496 2.124 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1705897840 VJMZFUMVFUOXDB-KSFYIVLOSA-N 429.496 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)CC1 1705932962 PQLKXTORCWFKBJ-UHFFFAOYSA-N 447.605 2.333 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC(C)(C)O1 1708233770 AYJYMDNSKWBCEB-MRXNPFEDSA-N 426.521 2.211 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCSC 1708735387 RFMPIJHADLUFPB-UHFFFAOYSA-N 443.577 2.485 30 10 IEEE CC[C@@]1(C)CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1708856528 TTZSERXVVMUIKP-YBQMXPOVSA-N 436.516 2.477 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1709015872 NIPIQVRMTXAESD-OAHLLOKOSA-N 427.534 2.012 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1710000713 AZUJIZGUIZYPAT-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE CC[S@@](=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710918139 OEEUUEXCMNRKAM-SSEXGKCCSA-N 427.578 2.298 30 10 IEEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1711543015 FXSDFDOWBYDJPZ-ZBFHGGJFSA-N 426.587 2.079 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](C)OC 1712556815 DBIFCZSSWMSYDV-SJORKVTESA-N 446.527 2.374 30 10 IEEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1712702887 IJWPYUPHVRKJTC-UHFFFAOYSA-N 444.492 2.069 30 10 IEEE N#CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1712886765 FLRGMFZGKNPBHT-UHFFFAOYSA-N 433.516 2.385 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(CCc2ccccc2)nnc1N1CCSCC1 1712913002 QKFUYZMZISKLRO-MRCUWXFGSA-N 438.557 2.143 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722322053 NCEPRSLRVQGHOX-LJQANCHMSA-N 427.553 2.404 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722328201 QWMMHAXMZHAXQX-QGZVFWFLSA-N 431.562 2.439 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2occc2C)CC1 1722440741 IALFNGRXEACLIA-UHFFFAOYSA-N 440.548 2.112 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNC(=O)C(C)C 1722462821 YDDGCMOMDXCDBY-LJQANCHMSA-N 443.573 2.365 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CC1 1722569790 OTVHUUSKTAYGFE-UHFFFAOYSA-N 435.525 2.188 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1722585830 KTAQOIKLVZSBLK-SFHVURJKSA-N 449.563 2.486 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1722646235 FQBIHVIKXCKCGY-MGPUTAFESA-N 425.599 2.374 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CCC(=O)N1CCOCC1 1722676201 VLFZWCZVAQUJNP-UHFFFAOYSA-N 436.516 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1722730229 MCFYPLLWPYIISH-QZTJIDSGSA-N 435.594 2.018 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)coc2C)CCO1 1722843116 NQZBOBCNOZIHKA-FQEVSTJZSA-N 434.500 2.416 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722861072 BCKQAEVOKSITMH-INIZCTEOSA-N 438.536 2.252 30 10 IEEE CCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1728100254 AZWZUSKNJJSMHJ-UHFFFAOYSA-N 439.564 2.129 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1729669058 BEZHCCVNTIUOMJ-UHFFFAOYSA-N 436.545 2.182 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740617874 YJIVVFIWRLIQKL-APWZRJJASA-N 432.594 2.322 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1740655428 BNDNKXWJKJVRQL-NRFANRHFSA-N 436.512 2.185 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccn2)CCC1 1740655453 BZWGZEBWCPRVNH-LJQANCHMSA-N 437.569 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOc2ccccc2)CC1 1740704991 ZZUVOOYOQWNZDU-UHFFFAOYSA-N 430.512 2.385 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1740774251 PDWUKXVOMLPEAK-HNNXBMFYSA-N 427.571 2.107 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(C)(=O)=O)CC1 1740836909 UJIWVPDCWDYDAM-UHFFFAOYSA-N 428.356 2.483 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740885246 BTMJUWYKOGQLJS-LEWJYISDSA-N 433.597 2.313 30 10 IEEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1740899909 JPUFKDCPRXUPBY-WIYYLYMNSA-N 426.565 2.439 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740958336 NKAUUNCJXULJFJ-DNVCBOLYSA-N 445.486 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H]1CC 1740985484 ICNFASAZWWHYSF-HZPDHXFCSA-N 432.550 2.151 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@@H]2CCOC2)cn1 1748682019 PBBVQXFIWUSACS-NVXWUHKLSA-N 425.562 2.492 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCN(C(C)C)CC1 1748783490 OLITYVRWBMPCIJ-UHFFFAOYSA-N 433.560 2.436 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1748787836 JPXZOXIVTOMFSD-KRWDZBQOSA-N 432.569 2.234 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1748807919 DEVJDDYLMGWOKZ-ROUUACIJSA-N 432.546 2.005 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCN1C1CC1 1748969411 UEMIPJKCURIHGZ-NRFANRHFSA-N 425.581 2.243 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(SC)CCN(C)CC2)CC1 1748991182 RVOJQWPRDATXHZ-LJQANCHMSA-N 432.638 2.102 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCn2cc(C)cn2)CC1 1749016770 NSCBCUIRUDBQDH-UHFFFAOYSA-N 437.573 2.101 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749043514 FKYVOMKNJBLRCQ-INIZCTEOSA-N 439.632 2.014 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1749141989 NWKJEGFWAVPWMU-UHFFFAOYSA-N 434.566 2.099 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCOCC1 1749832444 IAOYINUIHLOVEL-XUVXKRRUSA-N 448.612 2.284 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750035737 VLOMVHFBPPNYMO-KRWDZBQOSA-N 427.940 2.301 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)c(OC)c1 1750153847 AAIIVDZJVATJLA-BXWFABGCSA-N 447.923 2.441 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)cc1C 1751537429 BIVGDMDOCCHCEU-RHSMWYFYSA-N 444.561 2.178 30 10 IEEE Cc1nccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1751807388 IDRYWAUFAFSKOI-HNNXBMFYSA-N 445.325 2.360 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCCCS(C)(=O)=O 1751928448 NQOJPIOSAXDSOD-UHFFFAOYSA-N 434.541 2.139 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1760145158 IXNZOEJJPZOTHE-RDJZCZTQSA-N 445.545 2.372 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](OC)C(C)C)CC1 1760258467 MKXKDBLMFHPLBE-OAQYLSRUSA-N 425.533 2.143 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760275000 XZBATPSRORGRAG-INIZCTEOSA-N 435.557 2.369 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760351663 JTGYRGIKGLHCDK-INIZCTEOSA-N 436.557 2.066 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760361038 FFTOESVVDOBXJD-MSOLQXFVSA-N 441.532 2.173 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCSCC1 1760454969 WXISAIPHDZPMIE-UHFFFAOYSA-N 449.650 2.218 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760514420 FIMVWHWEYDGCDO-IAGOWNOFSA-N 426.521 2.063 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1760846012 DRQQJZGSPGOOCW-SFHVURJKSA-N 449.515 2.491 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1763044333 OMEMYRUCPMHUNQ-LSDHHAIUSA-N 446.506 2.377 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1764553168 HDZQGDABSPFGLF-UXHICEINSA-N 441.532 2.344 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1768243200 HDSDNODTHLICQD-RTBURBONSA-N 429.546 2.257 30 10 IEEE COc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)N(C)C)cc1 1768523730 CCVSDSPJRIYNKZ-SFHVURJKSA-N 446.559 2.497 30 10 IEEE COCCN(C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1769774808 BVRCDZYOVUIIEM-IBGZPJMESA-N 435.532 2.190 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC[C@H]2OC)cc1OC 1770042600 BYMJZBXGGKEZMO-NBCNXNJRSA-N 445.495 2.456 30 10 IEEE N#Cc1cccnc1C1CCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)CC1 1849617480 KUEVZHVOEWSHAB-KRWDZBQOSA-N 439.541 2.018 30 10 IEEE C=CCN1C[C@H](C(=O)NC[C@@H](OC)c2ccccc2I)CC1=O 1850739615 QIRSHMGMAWYDNQ-IUODEOHRSA-N 428.270 2.129 30 10 IEEE C=CCC1C(=O)NC(=NC(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)NC1=O 1851410994 WAVXUEISALOPAY-LBPRGKRZSA-N 443.813 2.044 30 10 IEEE COc1cc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)ccc1-n1cnc(C)c1 1851638651 ABLVNHMLHJHAAW-UHFFFAOYSA-N 446.511 2.435 30 10 IEEE C=CCN(C(=O)c1nnn(Cc2ccc(Br)cc2)c1C)[C@@H]1CCN(C)C1=O 1852351014 HPUWZXRCZYJSNG-MRXNPFEDSA-N 432.322 2.256 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)Cc3ccc4oc(-c5cccnc5)nc4c3)CC2)n1 1852722311 WPBKILRXDBZMHI-UHFFFAOYSA-N 425.452 2.443 30 10 IEEE N#CCC(=O)N(CCn1nnc2ccccc2c1=O)[C@H]1CCCN(Cc2ccccc2)C1 1853587645 MTDJPKASIJDXEK-FQEVSTJZSA-N 430.512 2.198 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCC(F)(F)CC3)C(=O)C2)cc1 1854038568 RDISRUJAAWQJIN-UHFFFAOYSA-N 425.457 2.133 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)cc1C 1854750349 QCSCXQKNGLSSEW-UHFFFAOYSA-N 426.498 2.022 30 10 IEEE N#CCC(=O)O[C@H]1CON(S(=O)(=O)c2cc(Cl)ccc2OCC(F)(F)F)C1 1855854822 URPRVCUCMQBYTG-SNVBAGLBSA-N 428.772 2.042 30 10 IEEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1870111684 YYYWREYTXFEGFA-UHFFFAOYSA-N 438.316 2.175 30 10 IEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)c2cccc3c2cnn3C(C)=O)c1 1870158399 VOJIKAJNJXWVKF-UHFFFAOYSA-N 428.412 2.359 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC(Cn4nc5c(cc4=O)CCC5)C3)n[nH]2)c1C 1889907747 KFFPLMVUHJLQAL-UHFFFAOYSA-N 447.543 2.284 30 10 IEEE C[C@@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892167155 JRFRWJAXNLGBSF-KRWDZBQOSA-N 442.541 2.425 30 10 IEEE C=CCN(CCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1985018797 YJAYDAYTKNMSAJ-CVEARBPZSA-N 427.542 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(CCC#N)CC2)CCN(Cc2ccccc2)C1 2060823809 NQZPDIJVYOZQJQ-DEOSSOPVSA-N 441.576 2.214 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ccc(C#N)cc1Br 2118200737 HZXBGCHTJQNNMN-GOSISDBHSA-N 426.311 2.413 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ccc(C#N)c(Br)c1F 2225630265 UQGNEFBXSUNHOQ-SLEUVZQESA-N 430.274 2.213 30 10 IEEE N#C[C@@](N)(COCCOCCOCCOCc1ccccc1)C1(Br)CC1 2227775221 JAAPYIBCXQTGFV-LJQANCHMSA-N 427.339 2.402 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CS)C(=O)O 2229108201 TZVWCDUERBDLCX-STQMWFEESA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2232320142 HCJRWMNCFOMJNK-HOCLYGCPSA-N 447.341 2.328 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(=O)O 2237398762 DWFNIRXXDHNDIQ-HUUCEWRRSA-N 439.306 2.478 30 10 IEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243412905 WATPADSXBUBJGR-UHFFFAOYSA-N 446.400 2.240 30 10 IEEE Cc1nc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247858631 GMCBZROECYZFAL-QWHCGFSZSA-N 437.371 2.394 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255604152 JXXGWMDVVAOTMN-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255666771 YTTXMAPBJRRWQG-KBPBESRZSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705707 ZCDANHHNXHPSCW-PEBXRYMYSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826703 RGCDKPFLYCNKDZ-UONOGXRCSA-N 434.346 2.132 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255827768 MPSOXHBTQXIGNA-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2266994329 SVVMRUAFLXLWKZ-HZPDHXFCSA-N 443.353 2.318 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267012794 AEFVDIDICXLEDM-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267141573 LAUJDLJARQUVDC-SQWLQELKSA-N 446.357 2.084 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267142217 RDYJPBBPHLWUBB-HNNXBMFYSA-N 448.373 2.428 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 2267151210 HYSUNJPKUYEXAU-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 2267154197 VSLUBEUFHJHWQT-RUYXUALKSA-N 436.365 2.062 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267521893 RPBXADXGROTFRB-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267816958 RQLGZSMKVXTZIC-MRXNPFEDSA-N 447.385 2.498 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267873947 VAJWLTJFECGMRF-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267879980 NSBKGTKNJCDRNY-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268651342 VQHIUBFSUIITRQ-QAPCUYQASA-N 448.369 2.218 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1OC 2297060193 IDCSARZPTDJXQC-FQEVSTJZSA-N 425.485 2.472 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)NC)C[C@@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 2297649847 DGAUDBLRNZEWTD-IAGOWNOFSA-N 437.466 2.427 30 10 IEEE COC(=O)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(O)cc1O 2328401694 WQNQIVQABWIQGN-UHFFFAOYSA-N 444.469 2.424 30 10 IEEE Cc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2329966439 MGZZZTDLKVEHNK-UHFFFAOYSA-N 426.458 2.251 30 10 IEEE Cc1nc(NC(=O)[C@@]23C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C3)ncc1B1OC(C)(C)C(C)(C)O1 2334388333 PDZROKBPCPKMFW-IEROGBPDSA-N 444.341 2.326 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337190472 OJAKFMGCVKXCGF-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1ccccc1Br 20292562 BDCKKZUOYCNBMS-AWQFTUOYSA-N 447.322 2.326 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1C 110036121 NGSUQVYOVGDNHG-AGGMBTAESA-N 437.496 2.153 30 10 IEEE COc1cccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254760543 UJLKFFCRCPIVFG-ROUUACIJSA-N 432.523 2.376 30 10 IEEE COc1ccc(N=C2S[C@H](C(=O)N3CCN(c4ccccn4)CC3)CC(=O)N2C)cc1 254842271 AGVWTPKCAOPWPH-SFHVURJKSA-N 439.541 2.390 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)N2CCCC2)cc1 257184931 IZZNYGOXEBOMIS-FPOVZHCZSA-N 425.510 2.391 30 10 IEEE CN[C@]1(C#N)CC[C@@H](n2cnc(I)c2I)C1 304471588 ZIQZGEIGBNUXQF-GMSGAONNSA-N 442.042 2.299 30 10 IEEE CC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 409421715 FPVRUILUEYSIMD-ARBOEXFKSA-N 434.504 2.467 30 10 IEEE N#Cc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1C(F)(F)F 443881692 SIQCUAZDHZBSDO-UHFFFAOYSA-N 434.359 2.241 30 10 IEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460808776 YPXSHHUJEYXNJI-UHFFFAOYSA-N 426.546 2.397 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@@H]1CCCO1 461348944 VPHHSMMBRXMBJQ-PBHICJAKSA-N 444.528 2.355 30 10 IEEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 470956180 RHPYONGZCCZFSI-CQSZACIVSA-N 431.480 2.252 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 482433088 FEHSBBNYRPRLMS-STXHMFSFSA-N 431.489 2.353 30 10 IEEE Cc1cc([C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCO2)ccc1F 486155327 VBVJYVRWHBUNRK-MGPUTAFESA-N 431.489 2.273 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC)c1 491172542 RQYSCRBPCDWCEJ-UHFFFAOYSA-N 433.530 2.337 30 10 IEEE Cc1sc2ncnc(N3CCC(C(=O)N4CCN(C(=O)CC#N)CC4)CC3)c2c1C 503641926 IQSWUVPIBZAABN-UHFFFAOYSA-N 426.546 2.109 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 508479197 WXWUUGYULRTDHY-MJGOQNOKSA-N 433.578 2.454 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[C@@H]1c1cccnc1 510822059 RMETVPDHJPDJCU-OFNKIYASSA-N 440.507 2.370 30 10 IEEE CC(C)CN(C(=O)CN1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 517133510 JIKIGUALVWECLD-LJQANCHMSA-N 433.574 2.073 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]2CCCO2)c1=O 522385347 VOUJNZYNZSWZPA-QGZVFWFLSA-N 426.538 2.216 30 10 IEEE CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 530376224 UKIKAPQDENHXDR-UHFFFAOYSA-N 434.539 2.335 30 10 IEEE COc1cc(-c2noc(CN3CCN(c4cccc(C#N)n4)CC3)n2)cc(OC)c1OC 546919652 KNHCMWGJUYLTRC-UHFFFAOYSA-N 436.472 2.351 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 569649219 BLLFVUCNWTYRQK-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 608890444 BYRFAUHLUFXRSC-QGZVFWFLSA-N 444.285 2.471 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCN(C)CC3)cc2C1=O 641849863 QHOMJVSNINXNOJ-IBGZPJMESA-N 438.553 2.249 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 685549756 NYKJQSFRBZMFPJ-JKSUJKDBSA-N 435.532 2.341 30 10 IEEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cc1 730139519 QSOSJGWHCNTOBQ-RBUKOAKNSA-N 448.589 2.264 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cc1F 730139925 SQTNMUJCYGJLSP-AEFFLSMTSA-N 436.553 2.313 30 10 IEEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730140297 FKEZLIHZPCKADH-INIZCTEOSA-N 426.970 2.376 30 10 IEEE C[C@H](NC(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N1CCCCC1 732399515 RBLAKUSUKOHCPL-INIZCTEOSA-N 436.468 2.420 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 732446164 IENDCYWRZOSMKR-DVSFIDLUSA-N 449.914 2.442 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC2CCC2)C1=O 735224931 XOAOMEQKKJICTN-SFHVURJKSA-N 432.546 2.215 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 739834205 ZLJKHRXWBFKNOM-UHFFFAOYSA-N 436.541 2.230 30 10 IEEE COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C#N 746873504 YCMXZARBOWTSLO-UHFFFAOYSA-N 438.509 2.156 30 10 IEEE C#CCN(CC#C)C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 752332206 MILWGHAWGYVGGP-LJQANCHMSA-N 436.537 2.208 30 10 IEEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(N2CCCC2=O)cc1 756932471 ASVIESOUSFJQGH-IRXDYDNUSA-N 433.516 2.456 30 10 IEEE COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1 758580415 ONYUHVQLRXZVLQ-CQSZACIVSA-N 449.463 2.005 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761981088 FVJVZOUMUDGEQY-MODMUFLJSA-N 432.908 2.043 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774221443 ZNKGBEMQSGUSNV-DOTOQJQBSA-N 429.464 2.116 30 10 IEEE C[C@H](c1ccccc1)n1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782695336 CLSVDNCUTPWIGS-GFCCVEGCSA-N 440.326 2.042 30 10 IEEE CCN1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1cc(F)c(F)c(F)c1 782847090 OSSQOMYDZYFIKY-JLAGTDFUSA-N 436.434 2.272 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C1 786571544 QEBAXYNDJXGGNL-HNNXBMFYSA-N 437.443 2.316 30 10 IEEE CC1CCC(N2C[C@H](C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)CC1 787059783 HHPZBTAUIYFMSX-BVSRCJTMSA-N 426.473 2.347 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)n1 788810935 LADRHHBLEFTYGI-KRWDZBQOSA-N 440.491 2.384 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCC1(O)CCOCC1 795185961 ZZAYJHZXVMOJPY-SFHVURJKSA-N 442.541 2.090 30 10 IEEE COC(=O)CN1CCN(c2ccc(NC(=O)NCc3ccc(C#N)c(OC)c3)cc2)CC1 810181498 NUJLJVYPCFHOKE-UHFFFAOYSA-N 437.500 2.184 30 10 IEEE CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)NCCOc1ccc(C#N)cc1 812500163 VNMPIBYZTSIEFB-UHFFFAOYSA-N 438.550 2.103 30 10 IEEE CCOc1c(Cl)cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1OC 837817207 HNNMUFYUMDRNIT-OAHLLOKOSA-N 445.928 2.176 30 10 IEEE CSCC[C@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775343 RIIDZRAPQSEFAZ-SFHVURJKSA-N 431.539 2.056 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(c4cccc(Cl)c4F)=NO3)CC2)c1C#N 1128031729 ZXZBEXVHUIEBRX-KRWDZBQOSA-N 430.871 2.235 30 10 IEEE CCOc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1137658805 WWCZWPLEEPOJRT-UHFFFAOYSA-N 431.489 2.484 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 1140517996 FKUHDJQYCMMVJC-UHFFFAOYSA-N 433.461 2.172 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCN(O)C1=O)c1cccc(Br)c1 1141380628 WSEMTMLNXODXAW-OLZOCXBDSA-N 428.283 2.121 30 10 IEEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1141459147 UTGGTUZHIRSYGJ-RTBURBONSA-N 449.596 2.119 30 10 IEEE COc1nsc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 1153866681 QSDKUFJBFYXJPA-IUCAKERBSA-N 431.312 2.403 30 10 IEEE C#CCn1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cn1 1156661624 ARDYMPRIIGQSIE-QHCPKHFHSA-N 448.548 2.257 30 10 IEEE C=CC1(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CN(C(=O)OC(C)(C)C)C1 1177003512 ASFOUGJJQXCUOB-UHFFFAOYSA-N 435.502 2.164 30 10 IEEE Cn1c(N2Cc3cc(Br)ccc3OC3(CCC3)C2)c(C#N)c(=O)n(C)c1=O 1187647598 LIIBUNAMVHVAFL-UHFFFAOYSA-N 431.290 2.040 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCSC1 1286279051 JNGLYXDZLPAHCV-CVEARBPZSA-N 433.603 2.406 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286388294 ZTKFMEZCQMTVFT-HNNXBMFYSA-N 436.965 2.386 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286398598 LOARBRIPVBLPCK-ZWKOTPCHSA-N 436.578 2.106 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286407245 GODVEUDOTDFASE-IBGZPJMESA-N 442.479 2.196 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(Cl)nc2)CC1 1286495256 YEOOCKRVDMNFQV-UHFFFAOYSA-N 449.946 2.326 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OC)C1 1286496893 JLZYCAQRMHEGAA-INIZCTEOSA-N 448.618 2.138 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(C)(=O)=O 1286516621 HXOVHXFTNWWBFR-LJQANCHMSA-N 437.953 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286554153 GWJYQVVAUJLOMU-BDXSIMOUSA-N 426.583 2.370 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286625115 GZGDIKSKDLPTMH-LJQANCHMSA-N 439.951 2.385 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286666983 GDMVABBKJDERHR-ULQDDVLXSA-N 425.599 2.496 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286670204 BYDKZQAJXRZMEI-LJQANCHMSA-N 446.596 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](Cc2ccccc2)C1 1286820327 JLAMWGMPFPKCRG-UXHICEINSA-N 430.574 2.452 30 10 IEEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 1291594627 CTVMGYOUWXDICM-BAGYTPMASA-N 439.537 2.435 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1298087938 PUCXUXLFXXLTTG-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCn1ccnc1C 1300441644 VJXRXMLVAYHYIY-UHFFFAOYSA-N 426.546 2.403 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cccn(CC)c1=O 1300539030 WVCMPHOHTLNILM-NRFANRHFSA-N 429.480 2.093 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300666331 XBEFRNCKOGDYBP-SJORKVTESA-N 429.487 2.490 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](CC)OC)CC1 1300682237 IOFHVIHDABKFEV-LJQANCHMSA-N 444.967 2.042 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2CCOC2)CC1 1300689175 RJGQXOJVMXGQFQ-GOSISDBHSA-N 425.533 2.144 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1300690681 GHWUKXYRWCDVKG-MOPGFXCFSA-N 439.560 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300690685 GHWUKXYRWCDVKG-RTBURBONSA-N 439.560 2.269 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2nccs2)CC1 1300703402 IQADBMMWKPHEQN-UHFFFAOYSA-N 427.603 2.478 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)CCOC)CC1 1300709021 ZXCJBCPZXARALE-XMMPIXPASA-N 441.576 2.017 30 10 IEEE C=C(Br)Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1300861755 MKPJUMLBKSWQGB-GOSISDBHSA-N 444.374 2.188 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1301624268 SYXXQQMNQWIQQH-WIYYLYMNSA-N 432.594 2.026 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1305638382 CRRXJFBCULZBON-SFHVURJKSA-N 438.580 2.375 30 10 IEEE C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)C1=O 1307909269 UYIQUXPVNOVZBT-BHYGNILZSA-N 443.441 2.458 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1CC[C@](C)(C#N)C1 1307950369 VKSLEXQMPCQULI-OAQYLSRUSA-N 434.562 2.434 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 1311300756 ZURFDKLCPDLTHA-UHFFFAOYSA-N 427.511 2.211 30 10 IEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 1314653779 HEVRZCVTTMPXAC-UZLBHIALSA-N 431.541 2.207 30 10 IEEE COCCOC1(Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)CCOCC1 1316228086 WRTWRCQAYBYFJD-UHFFFAOYSA-N 440.548 2.216 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1316385415 AEGZXHSTVDDECD-GDBMZVCRSA-N 435.575 2.104 30 10 IEEE CS(=O)(=O)CCNC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1 1320218971 PNBLUTCXTWGQGZ-UHFFFAOYSA-O 438.938 2.050 30 10 IEEE COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1323966618 FFKYUWWOCQXHRA-RXMQYKEDSA-N 427.248 2.056 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)c2)c1 1352297914 DJRXJHZYMJISEA-FQEVSTJZSA-N 440.521 2.483 30 10 IEEE O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CN1 1352326917 IGQNOHIGNJUGFA-JGVFFNPUSA-N 445.310 2.345 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H](n2cccn2)C(F)(F)F)c1 1355995407 FAAKRLPHFDFPHR-SFHVURJKSA-N 434.418 2.250 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1358962100 KKNGEQYIGAIYOH-AZUAARDMSA-N 444.557 2.203 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358964959 KUXWPFHEFSHHFU-OTWHNJEPSA-N 448.614 2.372 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ncccc2C)n1 1359028580 XDIPSDXVHYQMLO-IBGZPJMESA-N 435.532 2.016 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1359294567 XVZGKEKSFNFDKX-UHFFFAOYSA-N 430.940 2.205 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1359294760 DFWYSONOWTXABF-UHFFFAOYSA-N 440.592 2.357 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@H](O)C2)C1 1359312674 ZGNCWINUYIGQQU-FGTMMUONSA-N 426.521 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2F)CC1 1359331192 QAVWCZDPVXPKQG-UHFFFAOYSA-N 444.536 2.340 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359335338 IQPIRAHOGGJXPU-LAUBAEHRSA-N 440.610 2.403 30 10 IEEE Cc1cc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C)c1 1361010583 CBVZPMHCJYPGSC-JXFKEZNVSA-N 434.541 2.304 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1445865992 JTTIQGYNPKWVGE-KRWDZBQOSA-N 442.582 2.036 30 10 IEEE CC(C)(C)CC(C)(C)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1449564746 TUPGBXAQJYQMAV-UHFFFAOYSA-N 434.606 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1456342595 CYRMNAPKZUQTPR-KSFYIVLOSA-N 432.496 2.012 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 1465216215 OBOHOINNXGKYCE-UHFFFAOYSA-N 429.473 2.214 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(N4CCCNC4=O)CC3)C2)C1 1466243781 LWVBDIZDFIXQKC-BNGSBABLSA-N 445.564 2.180 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1471423987 HDSCWDBLGKVHLC-IXDOHACOSA-N 443.552 2.262 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1500720231 DXFVTQAEVVIYPZ-MBOBHEEDSA-N 441.580 2.240 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1503386016 GAVLJLUBBCRRIW-MISYRCLQSA-N 428.512 2.343 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1505123504 HSHKMIVZGJTWEY-HNNXBMFYSA-N 447.471 2.080 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCN(CC)CC1 1507522875 YHJNRFHIGBOQJY-ZWKOTPCHSA-N 425.537 2.337 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1507718605 FJTLWLHOCYFOCG-PWRODBHTSA-N 433.597 2.209 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)CC1 1507726677 KATXXTVPYKUPQB-UHFFFAOYSA-N 446.603 2.318 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=C(COC)CC1 1507749413 VLZCLDZKRNKRJS-UHFFFAOYSA-N 446.598 2.498 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507754170 LWXDZNXXWGCGSF-FUHWJXTLSA-N 445.593 2.461 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCC)c1 1507771349 ZIHRDWRZGKRYOP-XMMPIXPASA-N 434.544 2.191 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCS(=O)(=O)C1 1508027352 ZNALRONUQCZKSY-LJQANCHMSA-N 438.557 2.405 30 10 IEEE CC1CCN(CCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 1512347836 HRBPNVMFQXQFQJ-SFHVURJKSA-N 434.552 2.391 30 10 IEEE CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1514169365 RFSMCFBERFUCOQ-JVMRMLDLSA-N 442.545 2.072 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCCCN1C(=O)c2ccccc2C1=O 1517383609 CMAJRFVFCSFFNX-UHFFFAOYSA-N 437.456 2.378 30 10 IEEE C[C@@H](C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)n1cnc(C#N)n1 1535180211 RALDBMHSZHGUPP-INIZCTEOSA-N 427.940 2.177 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2=O)cc1 1536575698 QVNTVZADRFWXEO-MRXNPFEDSA-N 429.440 2.089 30 10 IEEE C=C(C)C[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OCC 1536579505 XOAFUZZEKDIYCV-OAHLLOKOSA-N 432.336 2.378 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1539210361 DHFFUKNXEJVROE-IBGZPJMESA-N 428.558 2.473 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCSC2)CC1 1539434302 HLPFSFKQMCTBJU-OAQYLSRUSA-N 449.527 2.170 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1539490804 IFCZNDNFLQMMHB-IBGZPJMESA-N 427.574 2.231 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539631559 MDYPQEJFFTZYAM-UYAOXDASSA-N 439.626 2.223 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539915887 FRYJLNUXRZYIEO-OYHNWAKOSA-N 430.553 2.199 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1539939949 MHDBNOMHBWAQMH-RLLQIKCJSA-N 436.560 2.299 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539985753 QAFXIZWHLSJWGL-DLBZAZTESA-N 432.502 2.429 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1540155160 NAYDLHHYGCXGAE-UHFFFAOYSA-N 425.537 2.215 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1541104576 AJZKYEVVLCDOLG-VXGBXAGGSA-N 430.987 2.442 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1541805235 MEJOOLUXFFFNLI-APWZRJJASA-N 435.507 2.486 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)SC)CC1 1547764125 BHGIRXLFMZLUSW-UHFFFAOYSA-N 441.605 2.216 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1548321724 CGFLQNHDKKZCAR-SFHVURJKSA-N 441.916 2.387 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(N)=O)c2)CCO1 1555993112 IFQPLGYMPCDBPW-KRWDZBQOSA-N 437.891 2.064 30 10 IEEE COc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1S(=O)(=O)NC(C)C 1558675644 JXDPUWIBXHFEQY-UHFFFAOYSA-N 434.543 2.096 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)C1 1562747959 ZVCZNFBNPXFQDK-IBGZPJMESA-N 427.530 2.243 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1586913771 MXSRTHZIWDNFDB-HXUWFJFHSA-N 436.516 2.418 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1588049200 BRFFZHDFROVHMS-FQEVSTJZSA-N 427.574 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1nccnc1C 1588218783 BUHUMLICYXMVLY-UHFFFAOYSA-N 438.495 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)CC1CC1 1588237869 GYPBEEDPIRDBDZ-UHFFFAOYSA-N 428.533 2.296 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1589068804 FUAOOMPSPVXRFZ-SFHVURJKSA-N 430.599 2.150 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1589427140 BDOYZWSAJXGUCM-LBPRGKRZSA-N 425.356 2.244 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1589442904 FYLIHZXPSCIIDQ-HNNXBMFYSA-N 447.337 2.362 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@](C)(O)c1cccs1 1614028449 DFOWOYSGZLZJNC-QVKFZJNVSA-N 438.561 2.186 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1618008386 VBFHFHWFPZMQLR-XXBNENTESA-N 441.484 2.238 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)C1 1618867773 DWQZUKDNXOCEAT-LJQANCHMSA-N 439.516 2.402 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1620287964 FBCZRHVFHLVQID-UHFFFAOYSA-N 431.562 2.460 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1623494456 JYYKRIXWJOHOOQ-QFIPXVFZSA-N 431.471 2.458 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)COc1cccc(Br)c1C#N)CCO2 1625877062 PKOZUQMXKVYVRL-FWHMADFJSA-N 437.290 2.317 30 10 IEEE CN1CCN(c2ncc(Br)cc2NC(=O)c2cccc(C#CCO)c2)CC1 1627666037 NNINFCVSFYSRCQ-UHFFFAOYSA-N 429.318 2.192 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)C1 1634555396 XCCFOJNWZJHHSW-LJQANCHMSA-N 433.574 2.087 30 10 IEEE COc1cc(NC(C)=O)ccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1636616401 BFFGESCQMNBYDO-LBPRGKRZSA-N 430.486 2.109 30 10 IEEE Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C#N)cc1[N+](=O)[O-] 1639235510 CWRCKRLYLZDXFK-UHFFFAOYSA-N 444.469 2.057 30 10 IEEE C[C@]1(C2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)COC(=O)N1 1644859462 ABJJSOAZHMFLRD-HXUWFJFHSA-N 447.333 2.494 30 10 IEEE C#CCN(C(=O)c1c(Br)nnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1645454245 CBDOGXJSZPSBJR-UHFFFAOYSA-N 426.315 2.053 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 1662633956 CCHBJPREFNMNIH-ZDUSSCGKSA-N 431.308 2.052 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1689830696 BTVAZWGKTDMVFS-WZONZLPQSA-N 435.532 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1689862721 FQMZTOSHOQMSKS-CYBMUJFWSA-N 430.310 2.254 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1689954459 ZTEWVSLJUXRTBC-CZIZESTLSA-N 440.891 2.203 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689990957 UASAKEVASMPQOR-INIZCTEOSA-N 447.527 2.057 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1690003684 UTLQBOVRYMMIKJ-VWLOTQADSA-N 449.555 2.130 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690022609 LMQVRIWFPBJWPU-XMMPIXPASA-N 440.551 2.238 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F 1690175196 ROBUDKPPMNEZPW-HNNXBMFYSA-N 440.541 2.461 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690275089 TXUSQBSHOZSVBB-KRWDZBQOSA-N 435.598 2.194 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1690449510 JEDDXNMURIJBOO-APWZRJJASA-N 428.624 2.231 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1690676791 DNSNISWBUXAHFJ-SBUREZEXSA-N 425.533 2.356 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(c2nc(C)no2)CC1 1690749422 CIKZXCZXUVTCIX-UHFFFAOYSA-N 431.566 2.395 30 10 IEEE CCc1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694707330 AVAHIWMHQXATIM-ZREAOVPFSA-N 436.516 2.415 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCS1 1694929128 BMXBGSKPUKCRGJ-SFHVURJKSA-N 426.546 2.007 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1696753026 IBMIVZJIICBQOU-FQEVSTJZSA-N 441.532 2.276 30 10 IEEE COc1ccc(CCc2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1697402049 LRCVSDPEZYSDSS-FCQUAONHSA-N 448.527 2.365 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705508189 KKJYFTSVGOXZLQ-LJQANCHMSA-N 427.553 2.311 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccsc1 1705574566 HDQJGIHCNVAITH-YADHBBJMSA-N 428.558 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](Cc1ccccc1)OC 1705581307 YBHGYJSOUBZOLT-IBGZPJMESA-N 431.496 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1cccc(N2CCOCC2)n1 1705594904 WEWNKRCYYXBESL-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1705602614 BSFXHJLRASTQEL-UHFFFAOYSA-N 425.924 2.411 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)C2CCCCC2)CC1 1705653031 WVMHXOPSCLPQMT-YKSBVNFPSA-N 443.592 2.427 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1705843326 CATGNXDYXMFPBS-AWEZNQCLSA-N 445.467 2.187 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCCOC1 1705864149 RYEDYCZWUYUWHO-HNNXBMFYSA-N 437.591 2.489 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(O)c2)CC1 1705906279 YVLPZOGTFWGYFA-UHFFFAOYSA-N 438.557 2.265 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)O[C@@H](COC)C2)cc1 1705911196 BDMFFBOPMOYYQD-DBVUQKKJSA-N 441.532 2.082 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706057550 KNKHIBJFDMHANF-LJQANCHMSA-N 427.940 2.301 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1706169849 CJJBQHSUQSFIFB-KRWDZBQOSA-N 427.509 2.374 30 10 IEEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712620817 DITPRAJWDZIWLU-WOJBJXKFSA-N 427.505 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1722290656 YUUNEBQHOMXHSZ-UGKGYDQZSA-N 433.560 2.428 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364960 JSCFLAGTDNAPMU-VQTJNVASSA-N 448.564 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(N(C)C)CCOCC1 1722427170 QFTZLJZSGDTCNK-UHFFFAOYSA-N 429.540 2.205 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722509628 NVLWVYOBVGBMDQ-DSKINZAPSA-N 445.589 2.259 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 1722706609 VAVPFZNBEGOPNW-UHFFFAOYSA-N 442.564 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCS[C@@H](C(C)C)C1 1722729003 VQKRYUXWIZXOGU-IAGOWNOFSA-N 428.624 2.351 30 10 IEEE C[C@@H]1N(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1726761349 IYEOAHKMKIHNPW-MJWGMMHASA-N 430.553 2.397 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727621630 HPRJBIMBIMPSSL-HMDOMZECSA-N 440.479 2.084 30 10 IEEE CCOC(C)(C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1728733149 BJGFXCMHPGWMQP-XXBNENTESA-N 446.596 2.310 30 10 IEEE CO[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1729905844 MIRNQNVUYSTPTG-TXTKFYIRSA-N 441.532 2.435 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CC[C@H](C(F)F)N2CCOCC2)c1 1731181510 QMGUUWCHAUKDJC-LJQANCHMSA-N 446.502 2.399 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740573936 UPXULHVYHWTWPY-LJQANCHMSA-N 428.533 2.438 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OCC)CCCC2)CC1 1740689711 HEAWWMZGRDTCKM-UHFFFAOYSA-N 437.548 2.030 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)CC1 1740692432 JIRCLSQTEXSRNO-UHFFFAOYSA-N 445.552 2.063 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC)OC)CC1 1740701466 IESKEOQLSKSFHG-QGZVFWFLSA-N 430.940 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)C2CC2)CC1 1740703758 DDHJIBZHIPSHGQ-XMMPIXPASA-N 437.544 2.081 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740827074 IUQDKVJBBNZVJN-QGZVFWFLSA-N 436.607 2.214 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740847491 KCWLVWKAALLSNA-UHFFFAOYSA-N 440.596 2.328 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740885511 IMZNNGHBHLTYJN-HXUWFJFHSA-N 441.580 2.498 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1740890997 OFNWFANROLKNAV-GFCCVEGCSA-N 433.456 2.457 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCOCC1 1740924547 VWWIRBQDSNUFBN-GOSISDBHSA-N 444.605 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2)C1 1740992427 PTIDTRMWTSNZBB-VQTJNVASSA-N 446.573 2.351 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1COc2ccccc2O1 1744050582 JKYHNDSLWYYVNX-KSFYIVLOSA-N 442.495 2.478 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1747704125 BRKDDOQKBLMQFL-QFIPXVFZSA-N 449.540 2.301 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCOCC1 1748766737 WWPHSJSTFKFIRT-UHFFFAOYSA-N 444.967 2.042 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748820121 ZKEBPZQHLNYEKW-MAUKXSAKSA-N 436.965 2.184 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1748823828 CAYNJWFAQGQKJS-RTBURBONSA-N 446.573 2.075 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OC(F)F)c1 1748830173 QAYFPQXPJBLGRT-NRFANRHFSA-N 431.443 2.048 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC(O)CC1 1748840471 BMUNXYFAZFNVTR-UHFFFAOYSA-N 430.556 2.356 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N(C)C 1748898708 PXCPJWLFVIFHQL-HSZRJFAPSA-N 447.631 2.056 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC)N2CCCC2)CC1 1749010154 OKXACMHEVKJMQB-NHCUHLMSSA-N 442.608 2.360 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1749134089 UKARITKBUKUNCE-RXVVDRJESA-N 445.589 2.259 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N(C)C)CC1 1749286381 JQSUNGXEIGJZGJ-HZPDHXFCSA-N 438.623 2.409 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1749670900 WMXPNUDXCSYKJO-WMZHIEFXSA-N 425.533 2.228 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCO[C@H]1C(C)C 1750030979 SXVIDUQGNVYAMY-JYRKZWEQSA-N 446.596 2.240 30 10 IEEE COCCOCCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750110527 WYTMSXXGEYDTCU-UHFFFAOYSA-N 426.521 2.209 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(F)F)C1 1750419123 MMUJQHFNQPOCAS-UBSPPKPUSA-N 436.463 2.138 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC1 1750903612 KWSQRRSNFIYTOO-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCNC(=O)C(C)C)o1 1751489698 MKNUXRWRASCSCP-UHFFFAOYSA-N 435.488 2.154 30 10 IEEE Cc1nccnc1CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1751814873 DCJKIRBPNITFFP-NHCUHLMSSA-N 429.500 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1760111468 NAPKAOURWGNWHQ-YJBOKZPZSA-N 447.543 2.048 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760186578 DROYSJRZKQZZLA-UYAOXDASSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)s1 1760209290 AIRMOYBZWKTCGY-CYBMUJFWSA-N 425.967 2.114 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1coc(-c2ccc(C)cc2)n1 1760248195 DEKNOLKOPWDWPV-IBGZPJMESA-N 434.500 2.327 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2SC)CC1 1760252106 LUGZSKYMECMIAD-UHFFFAOYSA-N 442.564 2.179 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1760264186 FFIYJNAEJONLIV-UHFFFAOYSA-N 432.484 2.134 30 10 IEEE C=C(C)COCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1760361248 IKVZSLLJDIOEIW-HSZRJFAPSA-N 449.596 2.218 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1760464812 PWSZNNSVQCAAON-HKUYNNGSSA-N 433.578 2.114 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccccc2C1 1760557837 XJWMAVMMJPMGNB-UHFFFAOYSA-N 440.573 2.303 30 10 IEEE CCOCc1nnc(N(C)Cc2cc(F)cc(F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1766228803 FVZPXWMJUIJSLT-VXPUYCOJSA-N 446.458 2.256 30 10 IEEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1766519148 PMOJLVIFSFYZLU-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1768802576 PYQVHWHXZRMMOP-FPOVZHCZSA-N 441.532 2.397 30 10 IEEE CN1C(=O)N[C@H](C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CC2)C1=O 1768992826 UHOPTTBKQAOPQA-OAHLLOKOSA-N 447.421 2.146 30 10 IEEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOCC(F)F)CCN2C1=O 1769054983 RCFGTAXWDUYXRB-KRWDZBQOSA-N 445.474 2.045 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770893447 WXAREZIOPNCBGR-SGRLSNSRSA-N 430.553 2.256 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)CC1 1848670900 RAYIXJIOANJERC-UHFFFAOYSA-N 448.479 2.072 30 10 IEEE Cc1noc([C@@H]2CN(C(=O)CCON=C(N)c3ccc(C)n3C)C[C@@H]2c2ccccc2)n1 1853407987 VQCXGMYVWHZPJM-RTBURBONSA-N 436.516 2.462 30 10 IEEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1857224364 DPOZBGKQIJTOTI-QZTJIDSGSA-N 430.574 2.252 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCSc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857282902 AZFJGQPDLZOTMB-APWZRJJASA-N 433.549 2.402 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccncc3)cc2)c1 1858678229 KBOITYNYRZXZMO-UHFFFAOYSA-N 449.492 2.323 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)c1 1862627006 IHBGYKVBDDTVNO-FQEVSTJZSA-N 438.436 2.138 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)cc1 1869923846 PLUARGOXZWKCEX-UHFFFAOYSA-N 434.408 2.132 30 10 IEEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1870149162 HUTZCTZGQKHXNM-OAHLLOKOSA-N 426.440 2.002 30 10 IEEE C=CCOc1cn(CCCOC(C)C)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870385985 VMDXZQWGGROGRT-UHFFFAOYSA-N 427.549 2.340 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c1 1891648221 BFQIJZUHZSFTNO-UHFFFAOYSA-N 446.421 2.323 30 10 IEEE C#C[C@@H]1CC12CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 1891724912 NYIHFSXPOVTNBH-APWZRJJASA-N 431.514 2.400 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1 1891788540 IPYXPPXUNUJHCW-UHFFFAOYSA-N 440.443 2.491 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900466603 IKAMXOJPLBZGQZ-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1COC1 2060626303 VVNPQEHOILZTJD-KRWDZBQOSA-N 432.326 2.464 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626705 ZZUBRJRYADIQIS-YOEHRIQHSA-N 434.342 2.223 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060639090 DUFCKIFCQCJUGU-YYIAUSFCSA-N 435.374 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060640173 QQFSCLAVBWHCDH-HLFMIMNKSA-N 436.358 2.299 30 10 IEEE Cc1cnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224116568 CUXDEQORHRUTEX-WBVHZDCISA-N 433.358 2.329 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)C1 2247539087 QDCMTTAZKKPAFD-BIWSTMPVSA-N 431.455 2.210 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254747562 DPNOOFAAEKZWAC-DLBZAZTESA-N 433.358 2.309 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(Cc3ccccc3)C3CNC3)c(F)c2)OC1(C)C 2255747370 JKJFTHDBAUOULO-UHFFFAOYSA-N 446.353 2.288 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255827949 AEFWSBNFIWXUOA-AWEZNQCLSA-N 436.362 2.047 30 10 IEEE CON(CC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256595951 RSHIAVPYFXKFLF-UHFFFAOYSA-N 434.342 2.443 30 10 IEEE C=C(CNC(=O)[C@@H]1CCCN1C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2259191531 VJFAGHGKWPIEIN-KRWDZBQOSA-N 435.374 2.374 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267002665 CYUIOHCZWZRTML-HOCLYGCPSA-N 448.373 2.143 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267141059 VEPDGWBKHMBMDX-HUUCEWRRSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2267272702 CBJRAXCHLHYZIB-MAUKXSAKSA-N 443.353 2.462 30 10 IEEE Cn1cc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267524898 WTLJPEIAULDKSI-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)nn1 2267581834 WNULNDCFHDNWLB-JKSUJKDBSA-N 447.345 2.168 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])c1 2328619387 LLXFJUBDSVWLKH-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE COc1ccc(OC)c(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329045199 ASZKJQLAZGKCSF-INIZCTEOSA-N 447.561 2.376 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)n1 2337020849 VYDVOQAAPWIOPF-AEFFLSMTSA-N 447.385 2.401 30 10 IEEE CCCC/C(C)=N/Nc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1 59891305 JYKREZMPEJGDMG-KGENOOAVSA-N 449.585 2.301 30 10 IEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1C 103097027 RKNKUMHUEZQFGF-QGBVPWCLSA-N 440.500 2.187 30 10 IEEE C=CCONC(=O)c1cc2c(CN3CCNC(=O)C3)cn(Cc3ccc(F)cc3)c2cn1 138071995 MLPBQCJAZWGYJC-UHFFFAOYSA-N 437.475 2.003 30 10 IEEE C#CCn1c(=NC(=O)c2nc3ccccc3s2)sc2cc(S(N)(=O)=O)ccc21 254288517 SJUJMUSJMNNCPA-UHFFFAOYSA-N 428.520 2.334 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)C1=O 466500671 XHGNWJISYXEYSX-LEWJYISDSA-N 431.492 2.139 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2=O)cc1 487172525 SMUIGYVAVJUPLR-PKOBYXMFSA-N 438.919 2.286 30 10 IEEE CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 498546050 XYMPTSPVHPPGCC-IBGZPJMESA-N 431.489 2.404 30 10 IEEE CCCN(C(=O)[C@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 507818499 MEGOTJSWNMFGEU-HKUYNNGSSA-N 433.574 2.216 30 10 IEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 549637011 IWAPBTKMJKLORZ-LJQANCHMSA-N 431.585 2.251 30 10 IEEE C=CCSCCNC(=O)C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 552194098 OJYADPUMJTVSSS-INIZCTEOSA-N 433.578 2.280 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 553062712 GFNZOTWXDOLYNE-MSOLQXFVSA-N 428.539 2.129 30 10 IEEE C[C@H]1CN(Cc2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)C[C@H](C)O1 573851684 UOSJVRKHPKLVFW-IRXDYDNUSA-N 442.541 2.084 30 10 IEEE CN1C(=O)COc2ccc(NC(=O)N3CCC(NC(=O)c4cccc(C#N)c4)CC3)cc21 585871590 NTOCUQGZMDYFKH-UHFFFAOYSA-N 433.468 2.340 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)ccc1Cl 603970344 YVQSGEPFRLOEIG-UHFFFAOYSA-N 438.918 2.483 30 10 IEEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NCc2ccc(C#N)cc2F)c1 610642866 UHROXPQLHOBNTC-UHFFFAOYSA-N 425.424 2.032 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 612503071 DNTARJVZYYZCNA-CQSZACIVSA-N 427.482 2.116 30 10 IEEE C#CCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)[C@H]1CCS(=O)(=O)C1 729331094 JJHZZNDQOJLIHU-HNNXBMFYSA-N 434.539 2.398 30 10 IEEE N#Cc1cccnc1NCCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 729815668 GWOTZSDLDLLBDA-UHFFFAOYSA-N 441.293 2.412 30 10 IEEE CN1CCN(C(=O)CC2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC2)CC1 732204460 WIQKQCVQHLWJDE-GOSISDBHSA-N 439.585 2.349 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)/C=C/c1ccccc1Br 733316548 SMDAXWFUSMTOCL-GIDUJCDVSA-N 428.352 2.297 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nnn(-c2cccc3cccnc23)c1C 734291043 DTCHROIPJAXEFT-UHFFFAOYSA-N 432.465 2.423 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@H]1CCN(C2CCOCC2)C1=O 746909410 BDTJFAUJDDLOQB-ZDUSSCGKSA-N 445.419 2.093 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 747206308 HEOVTTYLBHSNGE-FUHWJXTLSA-N 444.532 2.205 30 10 IEEE CS(=O)(=O)c1ccc(NC2CCN(c3ccccc3C#N)CC2)c(S(C)(=O)=O)c1 749287239 IQNNWLQMWTXZII-UHFFFAOYSA-N 433.555 2.446 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cc1 751621446 BGCRPSRXTQYWNF-OUOZUETKSA-N 431.495 2.353 30 10 IEEE C[C@@H](C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 752612083 AJQSWGHSZSXWOM-FOIQADDNSA-N 441.509 2.261 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC23CCCC3)cn1 757913999 BGIYUWNHRPTMFP-IAGOWNOFSA-N 432.594 2.235 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cccc(I)c3O)CC2)n1 761036242 FMJDKZRQXGQHRR-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE C[C@@H](CC(=O)NCc1ncc(-c2ccccc2)cn1)/N=C1/NS(=O)(=O)c2ccccc21 763791531 UUZQVNXJRFZVHX-HNNXBMFYSA-N 435.509 2.277 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2C)n1 764566427 DNBACOAOVDPSKD-SFHVURJKSA-N 445.483 2.251 30 10 IEEE Cn1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2C#N)n1 765541809 FCTSOWMVKUTKHK-KRWDZBQOSA-N 446.496 2.242 30 10 IEEE CN(c1ccc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 780182581 QLACBYZIWAVDPD-FQEVSTJZSA-N 438.502 2.070 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 789009239 YEWAOZABEWXVLV-SFHVURJKSA-N 433.553 2.464 30 10 IEEE COc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2ccnn2-c2ccccc2)c1=O 790356850 RSLCSJWEGAGXIB-UHFFFAOYSA-N 425.473 2.120 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)n1 799415583 HHBGISDAZGNXBM-RHSMWYFYSA-N 440.508 2.214 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 802601872 BDNNEMAWOBSTBN-SFHVURJKSA-N 447.561 2.152 30 10 IEEE C#CCN(c1nnc(CCC2CCCCC2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812382460 IISXHRONHAHWEA-VQTJNVASSA-N 434.606 2.454 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2C[C@@H]2CCCCO2)CC1 812443589 VKNZTIGKZPDTLB-UNMCSNQZSA-N 449.555 2.489 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1C[C@H]1CCCO1 917767624 BEWBXKQHVLSDTP-LJQANCHMSA-N 445.544 2.005 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)c2)C[C@@H](C)O1 1132643472 QVJRSXJOAOEVDK-ZOCZFRKYSA-N 439.537 2.253 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1134701693 JIAPUILIISBFIH-HUUCEWRRSA-N 446.529 2.431 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 1137354180 WAZSQEZXUBVQSD-SUMWQHHRSA-N 427.448 2.408 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1137587807 KKTQZDOFGMULCL-OALUTQOASA-N 436.597 2.249 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1 1156254191 LTSLNIVWDDXREH-ZDUSSCGKSA-N 430.310 2.288 30 10 IEEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1159132131 FBAFSEAJCKFDLC-DNVCBOLYSA-N 428.920 2.328 30 10 IEEE COCCN(CC#N)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1160821999 AAJGEZGTWBKAOS-UHFFFAOYSA-N 445.497 2.261 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(CCOCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1164160745 PMARHIHRMXRTNH-JOCHJYFZSA-N 425.570 2.139 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1178460356 HYEHVOXHYSHEDN-GOSISDBHSA-N 428.514 2.090 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181001737 WIRBTDXEGIIACX-IAGOWNOFSA-N 445.520 2.068 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286325246 TZASSGMKYKQFOT-RTWAWAEBSA-N 442.608 2.456 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286351785 UIDHFSNNZCMDPP-UHFFFAOYSA-N 443.555 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1286421274 WPCLAIKYGOGAMH-ZWKOTPCHSA-N 444.532 2.455 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286557273 UPBVACAUJQAQRE-HCXYKTFWSA-N 438.594 2.167 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1nncn1C 1286613325 XRURUJBIFYQKQD-GOSISDBHSA-N 425.541 2.202 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286623137 CYCJCKNKDBXCMC-UHFFFAOYSA-N 427.896 2.293 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1286625114 GZGDIKSKDLPTMH-IBGZPJMESA-N 439.951 2.385 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2ccccc2)C1 1286819093 ZWCRHSQSKAQVQX-GOSISDBHSA-N 426.546 2.273 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCCCC2=O)CCOC1 1288301445 KLLWBBOIUXSVDK-QHCPKHFHSA-N 444.580 2.461 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1288353900 AZWCMERITWMMJT-FCEWJHQRSA-N 438.546 2.112 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCOC(C)(C)C)C2 1290673940 MLTPAAFKWNUDMK-UHFFFAOYSA-N 436.520 2.464 30 10 IEEE COc1ccc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1O 1300167563 WJVAMCJWLZMPQO-XUTLUUPISA-N 438.488 2.033 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CCOC)C(=O)C1 1300345148 PYLYACRISMBYHI-UHFFFAOYSA-N 447.543 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C(N)=O)nc1 1300446071 DJYYIFXSXOLDEN-UHFFFAOYSA-N 443.280 2.458 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)C1CCCCC1 1300472137 ZFYMEDQJZWJRKQ-UHFFFAOYSA-N 428.562 2.130 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nc2cccc(Cl)c2n1C 1300591190 MZCIDCDZSWEQIC-UHFFFAOYSA-N 449.946 2.452 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1300671188 DRRSNIKEUCLKGA-OAHLLOKOSA-N 439.438 2.361 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1300763685 QUMFISNMCKLRFW-ZDUSSCGKSA-N 434.509 2.245 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300765196 ASKYUTPYXYVKRW-MSOLQXFVSA-N 428.514 2.358 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(F)(F)F)C1 1300990052 BGLFQWRYKYYMBX-HNNXBMFYSA-N 443.426 2.366 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1300991106 PKUDGYILDFPMLL-OALUTQOASA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCCC)CC1 1301478285 ISANUTOYGFWTOL-KRWDZBQOSA-N 441.536 2.013 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2oc(CCC)nc2C)C1 1301556744 JBHDRNDLWBFSBM-IAGOWNOFSA-N 449.577 2.259 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)C1 1301557373 RVPXZLROYDMBSC-GOSISDBHSA-N 433.578 2.259 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)CCCS1 1303818537 CNFZVQJIYDHILB-RDTXWAMCSA-N 426.612 2.304 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ccco1 1303878226 VVDSAVZQPAPZIG-SUMDDJOVSA-N 440.529 2.273 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 1305205449 IMODCJFRQNNIIA-IRXDYDNUSA-N 438.532 2.388 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1313994353 LTKSYRLMFFOKHS-UHFFFAOYSA-N 425.537 2.221 30 10 IEEE CN(CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1314850644 LNAGCLULXLQKRV-DLBZAZTESA-N 434.541 2.158 30 10 IEEE COC(=O)N1CCC(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1315115693 KPTMSDPHPDVTNI-VGSWGCGISA-N 448.568 2.393 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1358942763 JEKPTCQWVJQOTM-CQSZACIVSA-N 425.917 2.231 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1sc(C)nc1C 1359018030 AOSQNZVQFPPEKZ-UHFFFAOYSA-N 425.518 2.133 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cnn(CC(C)C)c2C)CC1 1359037096 VOYUBEPKFPTPQT-UHFFFAOYSA-N 432.576 2.228 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1359048118 FZWSFQRKYNLYCC-GOSISDBHSA-N 431.537 2.500 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1359055155 UKUODSOUFPXJEQ-OAQYLSRUSA-N 437.504 2.000 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@@H]1C 1359127446 QLYYGGDTNIACGE-INIZCTEOSA-N 448.593 2.364 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359168041 GBCADECTEDZIPM-MRXNPFEDSA-N 449.602 2.393 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1359270265 JBYBVIKNVIRLNM-KRWDZBQOSA-N 446.577 2.222 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1 1359281551 DFSULQNFCITQNC-KRWDZBQOSA-N 426.583 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C1Cc2ccccc2C1 1359331880 JXCHQLZNEPELBS-IBGZPJMESA-N 430.574 2.377 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)c1cccs1 1360680487 CNJZTDPZCRVEQP-FZKQIMNGSA-N 440.570 2.370 30 10 IEEE C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2N1 1448842388 IZEXAOXKDNQVER-OAUYIBNBSA-N 428.443 2.296 30 10 IEEE CSc1nc(O)c(C(=O)NN2C(=O)c3ccc(Br)cc3C2=O)cc1C#N 1452445533 ZZSHRZJNUPCFHR-UHFFFAOYSA-N 433.243 2.084 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1454454687 FALAVDKTQUUMSP-OXJNMPFZSA-N 429.583 2.120 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1463793836 HFMJPNFFHKNTGF-AWEZNQCLSA-N 435.269 2.345 30 10 IEEE CS(=O)(=O)N1CC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 1464290284 DQGWFXWZIHJCGQ-UHFFFAOYSA-N 444.460 2.454 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1)c1cc[nH]n1 1467863697 BFPKKNFEANGRKJ-MRXNPFEDSA-N 447.561 2.044 30 10 IEEE CN(C)S(=O)(=O)c1cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1F 1476577806 BWHXGEPIHKTMHW-UHFFFAOYSA-N 431.493 2.302 30 10 IEEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CC1(N2CCOCC2)CC(OCC)C1 1503053141 CRMGMQAEENQMOM-UHFFFAOYSA-N 446.596 2.215 30 10 IEEE COC[C@@H](F)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504605847 FBCBYHONXNALNS-HOTGVXAUSA-N 430.532 2.228 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1504930379 GODQYSCMJNKFSC-FUHWJXTLSA-N 449.515 2.221 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507571707 KRUGTLJRGHOVFR-KRWDZBQOSA-N 430.553 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1 1507669731 QNJZKGQNVJLXTO-HXUWFJFHSA-N 439.585 2.170 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CN(C)C1=O 1507702616 VSWONNZLGHBIIJ-JPYJTQIMSA-N 425.508 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCC[C@H]2C)CC1 1507738745 XGBKRIZGOFIRCS-MZNJEOGPSA-N 436.560 2.165 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1507755202 CFVWTJNMUYRZCZ-HXUWFJFHSA-N 437.573 2.041 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1507791801 SIEXPEYMILSBNK-UGUYLWEFSA-N 445.358 2.151 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507801343 ULPODOIJGZNDSQ-QUCCMNQESA-N 433.516 2.452 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507863124 CMARLPCKAAWJCX-ZNMIVQPWSA-N 436.944 2.285 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)n1 1518992588 BDHKCLXXHCADKD-CRAIPNDOSA-N 437.504 2.450 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 1521684990 POJUGSRRPGPWMA-CQSZACIVSA-N 441.463 2.402 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539079046 OAKKYVITVOZKQJ-SFHVURJKSA-N 437.573 2.250 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1539155687 XFOIFBNMAKMJTH-UHFFFAOYSA-N 437.500 2.096 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 1539441540 SLMLDYKSIGNYQD-UHFFFAOYSA-N 440.523 2.318 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1540035415 BUNHVEFMBABGTL-GOSISDBHSA-N 434.537 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540866671 WCWHVODXHVOWFP-HUUCEWRRSA-N 435.843 2.154 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CCOC(C)C)CC1 1540868135 SQXKWSZXOCTMRN-UHFFFAOYSA-N 426.565 2.103 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1540868897 VTLHUBCNQDAUKF-HNNXBMFYSA-N 438.561 2.440 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540913085 OAESTAAIAYOJKW-FXAWDEMLSA-N 443.621 2.181 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541150620 OWWALBIDZQSDQV-FTHOYRMOSA-N 441.580 2.167 30 10 IEEE Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)no1 1542198712 SZSVNDOAXWVGDY-QFIPXVFZSA-N 438.488 2.467 30 10 IEEE Cc1nc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CCO2)no1 1542890215 RGXMVMZVJCUITL-MRXNPFEDSA-N 445.430 2.368 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)N1CCOCC1 1543310735 GFJJQGOSCBJFQR-UHFFFAOYSA-N 427.528 2.035 30 10 IEEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)on1 1544607601 FZTGMRKKMORREZ-OQKWZONESA-N 434.474 2.307 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1544817655 OLTGXUJDZQJZQH-LJQANCHMSA-N 429.517 2.082 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1545000638 NOLHFWYRNKCHOJ-FZFLATATSA-N 442.545 2.072 30 10 IEEE CON(C)C[C@H](O)Cn1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cn1 1545829251 SEOVKUCUJFCRQG-NRFANRHFSA-N 435.484 2.440 30 10 IEEE COc1ccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@H](C)C#N)cn1 1554940738 GKIOZHACSITLDR-QGZVFWFLSA-N 447.547 2.500 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc[nH]n1 1556381014 HGFOMBYNOJBWFW-OAHLLOKOSA-N 442.520 2.138 30 10 IEEE N#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 1557028905 ZOBLNBXHHSYUQJ-UHFFFAOYSA-N 447.488 2.234 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)n[nH]2)c1C 1558963066 WBBCPNGDPDQLSG-UHFFFAOYSA-N 432.525 2.035 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O 1561154987 QUECPRYWDBMPLO-MRXNPFEDSA-N 440.587 2.085 30 10 IEEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC#CCN(C)C)ccc2C)cc1 1587078666 DWLAXJBMOYBSBZ-UHFFFAOYSA-N 429.542 2.489 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC1CC1 1587909682 QMYSHPKTTYCYDO-MRXNPFEDSA-N 431.562 2.103 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1CCS(=O)(=O)CC1 1588020317 KIXWDUULOQJKDX-UHFFFAOYSA-N 432.546 2.150 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588053394 DRTPHOYGWFUSSR-HOTGVXAUSA-N 434.587 2.081 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(C)CN(C)C1=O 1588084291 PHQQXCYRSONYDE-KOSHJBKYSA-N 435.528 2.368 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CS(C)(=O)=O)CC1 1588276646 UCIBYHNHLYIHQE-UHFFFAOYSA-N 440.367 2.320 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NC(C)C)CC1 1588741307 ALACKMYBKNJSCW-HXUWFJFHSA-N 438.576 2.315 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nccnc2C)CC1 1588837539 XLPQUIOWHZSJQV-UHFFFAOYSA-N 437.498 2.243 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1588983905 DDSJRHGPHHMZTR-INIZCTEOSA-N 433.603 2.126 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C 1589556240 BABUVXBEVBCYPE-PGRDOPGGSA-N 441.580 2.368 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1594498062 PPOYNUWQEODLKH-SFHVURJKSA-N 448.593 2.245 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1594667799 AQPSHSHFKIICPV-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1595529615 AYIQMLFZDRNMPI-JOCHJYFZSA-N 440.935 2.413 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)C2=O 1596977122 DSEIQBIGSHQUSK-FIEAQMJYSA-N 438.532 2.103 30 10 IEEE C[C@H](c1ccccc1)N(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1611226302 DZCMTTNWANYLAK-BLRPHQBRSA-N 444.499 2.459 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1Cc1ccc(C#N)o1 1611700593 GAECBKYXIBLLDV-CYBMUJFWSA-N 446.558 2.416 30 10 IEEE Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)on1 1612646587 BJUWZIPWDORPJJ-KRWDZBQOSA-N 426.502 2.033 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1614079397 DMYZQFGJOCIFSW-RTBURBONSA-N 438.532 2.259 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 1615209706 SZFCGRLKBWOOMQ-UHFFFAOYSA-N 426.904 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCc1cc(F)c(C#N)c(F)c1 1617380753 KPRJCGBMWCLKRC-QGZVFWFLSA-N 436.459 2.358 30 10 IEEE COc1cccc([S@](=O)CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 1625970005 ONZCJEXHKNZXQS-SPTNWLSLSA-N 449.554 2.254 30 10 IEEE CN1CCC2(CC1)CN(C(=O)C1CN(c3ccc(Br)cc3C#N)C1)CCO2 1627338375 WUKBPAWLTWJEJW-UHFFFAOYSA-N 433.350 2.080 30 10 IEEE Cc1ccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 1628739690 RVGFKDAVZGDULN-UHFFFAOYSA-N 435.273 2.001 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 1628766800 FFEOKSBOFGMWAM-KRWDZBQOSA-N 430.379 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC(=O)NCC(F)(F)F 1630435065 ANTWVKWHUHIHJO-INIZCTEOSA-N 440.422 2.187 30 10 IEEE C=CCn1cc(CNC(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)nn1 1630446161 WXATVWLFLGKXSZ-ZDUSSCGKSA-N 448.321 2.011 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c1 1632243590 OXHGSHLRONCWHB-OAHLLOKOSA-N 438.431 2.384 30 10 IEEE C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)cn1 1632365414 XVBBTYIBYLFCRF-CABCVRRESA-N 425.407 2.056 30 10 IEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1632418194 SSRFVXCSMYHQGX-MRCUWXFGSA-N 442.516 2.456 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1OC 1635136086 IOXIWSSWZQAPHX-FNORWQNLSA-N 439.390 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](CS(C)(=O)=O)C1 1637415257 BJYMEQIFEJQIBP-QFBILLFUSA-N 447.557 2.286 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c(OC)c1 1639962646 PEMOMHMGPSVWKX-RTWAWAEBSA-N 437.496 2.372 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(Br)cc(N)c3N)C2=O)cc1 1639973829 NQZAKCJQKHZSML-MRXNPFEDSA-N 428.290 2.016 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(Oc4ccc(Cl)cn4)CC3)CC2)o1 1648237625 HPXNRPUGEFMPPK-UHFFFAOYSA-N 444.923 2.095 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1648907989 RGPFDUCRIBTTDT-MRXNPFEDSA-N 445.541 2.390 30 10 IEEE C[C@H]1CN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CCCO1 1649557228 AVWICICYKNUVIH-IRXDYDNUSA-N 443.552 2.245 30 10 IEEE CCc1ccccc1[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)NC(=O)OC(C)(C)C 1655537512 VQWSCXHBHPFEOG-QGZVFWFLSA-N 427.505 2.196 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1666975123 UTHJGASFLSPMQZ-UHFFFAOYSA-N 435.594 2.004 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccnn2Cc2ccc(OC)cc2OC)CC1 1669168695 CQDAFMDMPPMNCC-UHFFFAOYSA-N 427.461 2.259 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1672516784 CILHECOSUCAXGF-UHFFFAOYSA-N 445.541 2.475 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)s1 1673781004 WZBVKPOMKUXWAN-UHFFFAOYSA-N 444.460 2.253 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2OC)C1 1684082513 CRIHVZKXCLTUAP-MAUKXSAKSA-N 438.366 2.006 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccc4ncccc4c3)CC2)cc1 1684107908 RMSVCZGEHBQJDM-UHFFFAOYSA-N 449.536 2.365 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1689929972 IHINAWYPQCOSOZ-IBGZPJMESA-N 445.589 2.309 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689988945 ZGTUCELGYHIYHP-CVEARBPZSA-N 445.520 2.038 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCc1cnn(C)n1 1690005022 OQNJYVUVJIFXTP-UHFFFAOYSA-N 425.500 2.169 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C(C)(C)C)cs2)CC1 1690109068 FOROABKABHKNLJ-UHFFFAOYSA-N 441.605 2.072 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2c(C)nn(C)c2C)CC1 1690131942 BCPZFMGKIUJXQH-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1cccc(C(=O)NC)c1 1690194117 ZLRAQEZHNGLMKN-GAJHUEQPSA-N 425.533 2.402 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC=C(COC)CC1 1690665571 IIWLHWYVPUNBMD-UHFFFAOYSA-N 427.505 2.047 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1690671595 ZRKVDLHCUNPXAF-AEFFLSMTSA-N 431.924 2.316 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2COCCO2)C1 1690690109 RIOFPIWKIKEIBJ-RTBURBONSA-N 429.477 2.440 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1690709404 GTIGVMWWGFGJKJ-DLBZAZTESA-N 429.487 2.275 30 10 IEEE CO[C@@H](Cc1ccccc1)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697127761 FBWZKEYRNJWFCE-XLIONFOSSA-N 432.532 2.221 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccc(C)cc1 1698135512 PLWYSIIWFJSGAL-HTAPYJJXSA-N 444.511 2.183 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)CC1 1698489851 AKDUHIVCTAUODL-OAHLLOKOSA-N 449.437 2.354 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1705511327 QMYKROWNMJUDLE-UHFFFAOYSA-N 441.532 2.443 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1705541197 CFVMURPHYGEKIH-AZUAARDMSA-N 444.605 2.103 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1705544496 SHXPKBIBZQNODY-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OC)c1OC 1705574698 LBTCISBSGDTWLD-DEOSSOPVSA-N 438.528 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[S@@](=O)C(C)(C)C 1705590809 XBDCIFUKWKLOSM-SMSORMJASA-N 434.606 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1705602424 UXSDETDZFGQOPC-UHFFFAOYSA-N 445.614 2.233 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCCC2)CC1 1705636402 ISYNGANOOFKHFM-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NCCC)CC1 1705764295 UHHDXECHCIXDFZ-UHFFFAOYSA-N 445.593 2.229 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCc1cccs1 1705901604 QGHFGJWXJDGPJR-UHFFFAOYSA-N 442.545 2.439 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1706076554 FTNYBZGMWLWMHU-XMSQKQJNSA-N 441.605 2.068 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(N(C)C)c2)CCOC1 1706678105 BSVMEHAVQJBKIV-REWPJTCUSA-N 440.548 2.162 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2cn(C3COC3)nn2)c1 1707146973 VQJUXMOUCDDMSV-KRWDZBQOSA-N 436.520 2.281 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 1712702119 HESAPUZJXJTHQM-LJQANCHMSA-N 429.546 2.114 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCC2)CC1 1712704690 OAZTZSREFWIJLP-GOSISDBHSA-N 426.546 2.255 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)cc1 1722277083 KIAFDHNBIQISAD-RTBURBONSA-N 427.549 2.345 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1NC(=O)CC1(C)C 1722277224 HYYVNAQAXSLVFR-DOMZBBRYSA-N 433.354 2.419 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNS(C)(=O)=O 1722281261 UIBIWZBMBJIJAI-INIZCTEOSA-N 440.573 2.360 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722358538 CRZNHJHOMCXEHG-QGZVFWFLSA-N 434.949 2.140 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359129 QDKKGFLVCTWTIY-MOPGFXCFSA-N 435.638 2.467 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCOCC1 1722408724 PYEFHGISRSAWEI-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)CC 1722417387 FTYQYJWIEWWDDC-UHFFFAOYSA-N 449.490 2.183 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC=CCO2)CC1 1722432547 AYHPFJHYZGPADY-INIZCTEOSA-N 431.338 2.136 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1722499636 KPFROQSEXFPNAT-UHFFFAOYSA-N 428.512 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(C(C)C)CC1 1722728206 SAMKLEPMVPJKKO-UHFFFAOYSA-N 432.594 2.170 30 10 IEEE CC(C)(C)O[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1723005603 AFKBGNDVONRYIF-OSCRUYLVSA-N 428.537 2.466 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1723119502 REYYVMNEZHDXCE-FCHUYYIVSA-N 443.573 2.239 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CN(C)C(C)C)CC2)n1Cc1ccc(C#N)o1 1723589362 YZHBUFDWFKPLTP-UHFFFAOYSA-N 427.553 2.486 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1740618881 LERFWXQDBLZULK-BJLQDIEVSA-N 444.557 2.454 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740625156 OGEIUBZNLJBNCI-TZIWHRDSSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740655233 BZZHEMRFUBOMML-MSOLQXFVSA-N 439.482 2.246 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N(C)c2ccccc2)CC1 1740707889 UKYKWQJINOUQRU-IBGZPJMESA-N 438.576 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1740708631 WUJAJOZTERHOPB-MRXNPFEDSA-N 427.471 2.164 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)C1CC1 1740906510 JTGFGSBRMRCJRA-NRFANRHFSA-N 438.576 2.472 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1740923915 ZBUVZLNKMXSYQH-INIZCTEOSA-N 439.607 2.318 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1740981093 NWUDTLKUOWWAFF-ROUUACIJSA-N 433.553 2.430 30 10 IEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)cc1 1741155682 ZOMANHDFQDXWJZ-HXUWFJFHSA-N 443.548 2.282 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1745953182 AVLAJYYZGYUZTD-IBGZPJMESA-N 431.562 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1748640427 VAOQTQZAPSYPHC-STQMWFEESA-N 425.942 2.057 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1748843838 KFDPVNROFCMMLV-YADHBBJMSA-N 446.555 2.148 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@](C)=O)cc1 1748940521 NABMBMUKUNBLIP-PBWJEYPYSA-N 430.574 2.388 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1748964723 IBEBTZQITGZUCD-HXUWFJFHSA-N 434.544 2.351 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1749015690 JIOKFHYHZLLEQF-JOCHJYFZSA-N 435.572 2.454 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOC2CCCC2)CC1 1749019208 OYDULCJRAOVBFS-HXUWFJFHSA-N 429.565 2.445 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749031747 IBWXRECXOWADQL-UHFFFAOYSA-N 425.562 2.044 30 10 IEEE C#CCSCCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1749047832 DTKOFAPEPSQYSU-LAUBAEHRSA-N 430.578 2.024 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCOC 1749059133 WZDQFPHOVUQXOJ-OAQYLSRUSA-N 432.546 2.004 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)OC 1749327045 HLHMJXKRILNDGC-DHJUGAMNSA-N 441.532 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1749724066 GWHDDLDNFSQLJG-UHFFFAOYSA-N 427.571 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](O)(c3ccc(F)cc3)C2)nnc1C(C)(C)C 1749739942 NXNNLFGJJYFOPE-NRFANRHFSA-N 436.553 2.413 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749755759 LISLAPREBPNDMH-SFHVURJKSA-N 429.594 2.435 30 10 IEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749761889 IOUIUWWBRAVWJW-MRXNPFEDSA-N 446.602 2.322 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)CCCO1 1749965554 DOHTWCXNQYCYHX-OYHNWAKOSA-N 442.520 2.106 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(C)C 1750031006 UHCJDFVERIKRCJ-QZTJIDSGSA-N 442.568 2.425 30 10 IEEE CSCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1750337184 MJTYTGVRODEEHE-NQIIRXRSSA-N 434.610 2.248 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760134780 YLSNEJBTGIWJIL-JOCHJYFZSA-N 443.555 2.492 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1760175797 RQEUSYPGQKDNFO-OPAMFIHVSA-N 445.520 2.157 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1760249648 POGAKIDVENTSDA-WRGVRERRSA-N 430.574 2.185 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1760253697 UXPMQYMJSJYLGZ-ZGXWSNOMSA-N 434.581 2.334 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1760428845 JMXQKAKYOQKYGV-UHFFFAOYSA-N 437.548 2.168 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(CC)C2)C1 1760549739 LQFYCCSWYMIHKF-ROUUACIJSA-N 444.605 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760551375 CSUOPTKFMUHECJ-UHFFFAOYSA-N 443.529 2.183 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1761134348 CLDGMJGILCPEGQ-ZRCGQRJVSA-N 448.612 2.271 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)n1 1761940857 DBMAIOPNLCMHPX-AVRDEDQJSA-N 427.528 2.327 30 10 IEEE CCc1cnc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1762687148 KQSVGUIAJMEWBS-IERDGZPVSA-N 446.577 2.309 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1766817304 LPWVHYPTSILSNR-LQTLECTNSA-N 436.516 2.477 30 10 IEEE CCN1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1767117385 GJYBFABKLLLKTR-QCLNCQLRSA-N 449.559 2.310 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1769586313 GNBVBTYMTOBOGV-PXNSSMCTSA-N 429.521 2.394 30 10 IEEE COc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CC2)c1 1770377102 ADGSEYPEABERHT-UHFFFAOYSA-N 449.515 2.264 30 10 IEEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1770573595 XJKLOFOIJBAKJT-MVBPIPQGSA-N 438.598 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1772660252 OKJAXLSMPQPXDJ-UXHICEINSA-N 441.557 2.423 30 10 IEEE COC(=O)[C@@H]1C[C@@H](CCC(=O)ON2C(=O)c3ccccc3C2=O)CN1C(=O)OC(C)(C)C 1772789115 PRIYQCNYLNFMCJ-CJNGLKHVSA-N 446.456 2.320 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)CCCn2c(O)nc3ccccc32)CC1 1852129706 QKFJYXLPVRAYHA-UHFFFAOYSA-N 434.500 2.154 30 10 IEEE N#CCC(=O)NCCOC(=O)c1ccc(N2Cc3cc(Cl)ccc3OCC2=O)cc1 1852201956 QJSGOFYLHYNCCM-UHFFFAOYSA-N 427.844 2.452 30 10 IEEE Cc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1cccc(C(F)(F)F)c1 1852495065 IRTKOPQQKXYLQQ-UHFFFAOYSA-N 442.405 2.219 30 10 IEEE N#Cc1cnn2cc(CCCOC(=O)C3CN(c4ncc(F)cn4)C3)c(C(F)(F)F)nc12 1852548456 TYEAQVAURKTEDI-UHFFFAOYSA-N 449.368 2.161 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2c(C)cccc2C)cc1 1859010675 BQFNDHDWWIMPFA-UHFFFAOYSA-N 444.509 2.089 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 1861248574 JWKXQQPOWJISLN-QFIPXVFZSA-N 431.492 2.246 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(=O)O)cc1 1862414962 MGLPEKSRNYPFAL-GOSISDBHSA-N 444.390 2.377 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c(OC)c2)cc1 1862693056 YEYUAEOOZHHHDL-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C)nn2CCC 1865223990 JQDPBPNLXKVEHJ-IBGZPJMESA-N 426.517 2.312 30 10 IEEE C[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(C#N)cc1 1866894564 UHJWCBDJPCDTIF-QGZVFWFLSA-N 445.523 2.374 30 10 IEEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869930258 VUKOBDCKNYBIBN-JXFKEZNVSA-N 429.542 2.161 30 10 IEEE Cc1cccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870152175 DYWZZOTWKOOPBF-UHFFFAOYSA-N 444.451 2.471 30 10 IEEE CC(=O)NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(O)cc1O 1874432669 QXZDAPSMFNPMTO-ZVBGSRNCSA-N 442.457 2.408 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)C[C@@H]2CSc3nccc(=O)n32)c1 1890254212 MWQMVVVDBWSOEV-GOSISDBHSA-N 426.542 2.325 30 10 IEEE O=S(=O)(NCC#CCN1CCOCC1)c1ccc(Br)c(C(F)(F)F)c1 1891007821 FOMMABSAJXZNGT-UHFFFAOYSA-N 441.269 2.082 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 1984781000 PGHMRBLFRZSZQH-RBZFPXEDSA-N 427.498 2.036 30 10 IEEE C=CCC1(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2010230215 XFSYOURGDVCJAT-CVEARBPZSA-N 439.553 2.286 30 10 IEEE C#CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2018032856 DJJVNQLNHJLVIG-KRWDZBQOSA-N 439.553 2.123 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1C 2041194832 PFMVEAOPOISSIW-QHCPKHFHSA-N 442.537 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060638330 VTAOTDADCHZRFS-CQSZACIVSA-N 432.330 2.360 30 10 IEEE NC(=O)CN1C(=O)c2ccccc2C1=NO[C@@H]1CCCN(c2ccccc2Cl)C1=O 2079493815 GYJOBYLNDBHGSK-QGZVFWFLSA-N 426.860 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CO 2224102753 PMDBCNHDWUUXAB-WBVHZDCISA-N 433.358 2.093 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247906923 SHULJTWQMKTKIK-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE CON(CCNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247907707 HCXUANLGRDBSSA-UHFFFAOYSA-N 441.359 2.279 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2253627483 BCMDRRLZXXASRB-UUAJXVIYSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628223 FMKJTIGQBHMPDD-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633166 XEJISHBICGIIII-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255871270 SWWGXZZUPUSPJJ-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267146113 KZAWQHNIEKOAHM-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2267155714 XQNHUWRYKYUQDO-LSDHHAIUSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267266086 NFHIGCQWFZAEBS-QILLFSRXSA-N 443.353 2.366 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267523657 FTVAYXVREGSXTL-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]12CCN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267592542 NMNUIMRSOOQOCG-QFIPXVFZSA-N 444.341 2.001 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879089 DZUFCFOPGUBJIW-QFIPXVFZSA-N 446.357 2.153 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268679277 MHQYMQJXDZOXTG-SFHVURJKSA-N 448.369 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)C2)C1 2268984463 CUSUVJNDUIIRHG-UHFFFAOYSA-N 447.385 2.328 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2269707515 OGCDMLCEJFHIBY-VQFNDLOPSA-N 443.353 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)C#Cc1cccc(Br)c1)C1CS(=O)(=O)C1 2278743956 MBWGAVOWGBEXAS-MRXNPFEDSA-N 442.331 2.308 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccncc1 2326763738 RFVYKNGYDJQWDL-UHFFFAOYSA-N 427.486 2.428 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337197275 VDVOZTBAYNTVAT-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1cccc(F)c1 20291985 IWMMLCRUBJAUKT-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE COc1ccc(CCN2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178739 VKTOVZRRLXNQTP-UHFFFAOYSA-N 446.555 2.078 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F)c1ccc2c(c1)OCO2 254513966 OXCLQDOIDOJOCU-WMLDXEAASA-N 434.470 2.470 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2nccn3cnnc23)[C@H](C)C1 441047989 HUHQITDZUONFRJ-KGLIPLIRSA-N 436.545 2.084 30 10 IEEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 441784192 DSUUTWMFNZKKTD-MRXNPFEDSA-N 446.515 2.640 30 10 IEEE N#C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 499423703 SUGLOUMVFIXLNR-AWEZNQCLSA-N 445.229 2.464 30 10 IEEE N#Cc1cc2c(nc1N1CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)CCCC2 500256084 YMNGIPZBXDCBID-UHFFFAOYSA-N 427.486 2.251 30 10 IEEE C=CCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 505028379 CSJSFCGPMDYJGX-HDICACEKSA-N 436.578 2.309 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)ccc1C 507851135 ZUIGFMXFEQAPGV-UHFFFAOYSA-N 442.541 2.257 30 10 IEEE C[C@H](C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O)n1cnc(C#N)n1 507894868 YCPZMXVHFGCPBX-GFCCVEGCSA-N 436.310 2.282 30 10 IEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 508841693 SUCKXHCNBQGIGJ-FQEVSTJZSA-N 438.576 2.218 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C3CC3)c2=O)cc1C 518720139 GVBOTZONNLUPCQ-UHFFFAOYSA-N 449.532 2.283 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1-c1ccccc1C#N 532072335 ZALKDXJISNTAGA-UHFFFAOYSA-N 442.525 2.234 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCCSC)c2=O)c1 538497499 YAHYRFDNJXOMHD-UHFFFAOYSA-N 431.583 2.103 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598784 RSXIAGPARZUVSW-UHFFFAOYSA-N 447.516 2.202 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(CNCCS(=O)(=O)c2cccc(C#N)c2)cc1 554798050 OXQWFTSNMRNOTJ-UHFFFAOYSA-N 435.571 2.151 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 558455969 OSDMAQUJGMRRHJ-UHFFFAOYSA-N 439.520 2.174 30 10 IEEE CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 558860270 SAPKIFPXDTVXFL-UHFFFAOYSA-N 445.575 2.491 30 10 IEEE N#Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 586053737 KBEUGXZUIDHLDS-LJQANCHMSA-N 444.491 2.355 30 10 IEEE C=CCO[C@@H]1[C@@H](O)[C@H](CO)O[C@@H](Oc2ccc(OC)cc2)[C@H]1OC(=O)c1ccc(C)cc1 616591423 YOVYVYDNSFUASP-QMDPOKHVSA-N 444.480 2.257 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COCCOC)cc2)c1=O 673498436 AKJXPQHXBVJURS-UHFFFAOYSA-N 438.549 2.131 30 10 IEEE COc1ccc(-c2nc(C)c(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)s2)cc1OC 731862530 GRIJATDWCVNJOO-ZPHPHTNESA-N 442.497 2.392 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2c1=O 732173657 BIOWYVHUFIDLTD-MRXNPFEDSA-N 426.542 2.346 30 10 IEEE CCCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn(CCC)c2)c1=O 735068414 AFGUDAJHUWDHRW-UHFFFAOYSA-N 449.580 2.482 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCOC[C@H]2CCOC2)C1=O 740617031 RDAHEBHCYYRMEG-CRAIPNDOSA-N 430.530 2.069 30 10 IEEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 743738406 HAFXHEDZXNRZPB-SFHVURJKSA-N 445.545 2.273 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(CC)CCC2)cn1 752234342 CDDNCMQIZGMYPM-QGZVFWFLSA-N 434.610 2.483 30 10 IEEE CO[C@@H](C)[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757550884 OUIACJKXJNMMEI-OYHNWAKOSA-N 436.464 2.133 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC(=O)N2C)cc1 757601135 VQORDKXLHOOZGL-PHXBYCTMSA-N 442.516 2.090 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(C)ccc2F)c1=O 758082102 BCLRUFCNRWXDLS-UHFFFAOYSA-N 432.476 2.385 30 10 IEEE C#CCN(C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)[C@H]1CCS(=O)(=O)C1 763030891 RTKIYJCGTIHRCD-ZDUSSCGKSA-N 436.892 2.391 30 10 IEEE C[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763379066 ABNSHACIXGYXIH-KZLHXAFESA-N 434.537 2.302 30 10 IEEE C#CC[C@]1(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCCN1C(=O)OC(C)(C)C 764664966 KMXUJFFUNLRGFR-FDDCHVKYSA-N 426.517 2.486 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770839049 LZWWRLXWZDQSSQ-QGZVFWFLSA-N 428.514 2.418 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 771172292 SAKFHHAJCSLATC-LJQANCHMSA-N 442.479 2.080 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC=C(c2ccc(Cl)nc2)CC1 773828933 DKSQMORJWDDRDC-UHFFFAOYSA-N 430.917 2.480 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2Cl)N(CCCn2ccnn2)C1=O 784127633 YQOITWHVPDGDHZ-OAHLLOKOSA-N 436.925 2.098 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 787063433 ZMIPHGHRXHOPIX-CTNGQTDRSA-N 448.479 2.401 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802558172 LQULVEOASUPSMZ-KSFYIVLOSA-N 426.473 2.266 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CCS(=O)(=O)CC2CC2)c1 803197037 RPBCQTROIHXVMJ-UHFFFAOYSA-N 427.555 2.384 30 10 IEEE CCOc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807940554 XLCOGUMPKBFRJL-KRWDZBQOSA-N 428.518 2.014 30 10 IEEE Cc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1C 916178550 BOWOLFMFHLOIJQ-UHFFFAOYSA-N 441.538 2.494 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCCOc2cccc(C#N)c2)C1 919025277 PZBVVJAKNQKKCM-QGZVFWFLSA-N 433.486 2.186 30 10 IEEE COC(=O)c1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(S(C)(=O)=O)c1 1130049748 RZBBJDOYQZKBDY-UHFFFAOYSA-N 427.360 2.414 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1135523015 HMSIXENCWFJSKA-INIZCTEOSA-N 442.497 2.178 30 10 IEEE CCc1nc(CN2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)no1 1136655806 IXTZXFNBUFVPSI-UHFFFAOYSA-N 440.353 2.198 30 10 IEEE C=CC[C@]1(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1137885164 ZVNWPGANPYAMBK-KSFYIVLOSA-N 439.553 2.152 30 10 IEEE N#Cc1ccc(N2CCC[C@H](N3C[C@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)C2=O)cc1 1176951537 JETBJJSDCJPHCI-HHXXYDBFSA-N 441.475 2.495 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(Cl)cnc1N 1213712015 WIVDXMVGCOJSIL-UHFFFAOYSA-N 428.942 2.341 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1213955760 WPBXIMJDAVWARB-QGZVFWFLSA-N 449.573 2.304 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)NCc3ccc(C#N)s3)CC2)C1 1252041294 HESZKTGPWIHZLH-CQSZACIVSA-N 432.546 2.484 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286392441 HAQGKLVBDLUYEO-IBGZPJMESA-N 427.574 2.471 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN(C(C)=O)C1 1286409457 MBNYKYQLUXPYIU-UGKGYDQZSA-N 433.512 2.122 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1286436900 AIDPBGMYNSNXEX-REWPJTCUSA-N 433.597 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnn(CC)c2)CC1 1286491470 SXFWUKUKBZBDDS-UHFFFAOYSA-N 449.534 2.239 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286554048 WNGDDOBMEYEXLN-RXVVDRJESA-N 442.564 2.038 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286606242 KJQOGLLJDXAVDT-WIYYLYMNSA-N 430.597 2.127 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 1286761462 ZFJMKICETMOXJQ-HXUWFJFHSA-N 425.533 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286815756 DNLHHTGINBFLKZ-QGZVFWFLSA-N 449.577 2.190 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1286959343 FRIYSYWWPNZXAU-HZPDHXFCSA-N 425.493 2.064 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1287727969 FUZHTOZHSPLOJO-BBWFWOEESA-N 425.526 2.438 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1287989167 SDPBKMZTXBNZHK-UHFFFAOYSA-N 449.573 2.236 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1291050997 YUYBLJMZIFTWNK-WZGSHADRSA-N 435.532 2.415 30 10 IEEE C[C@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1291079404 BBJJBPYIXDKYPZ-GAJHUEQPSA-N 425.533 2.489 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCNC(=O)C2CCC2)CCOC1 1296597276 CYASGTFSKSHCLV-HSZRJFAPSA-N 444.580 2.367 30 10 IEEE Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1S(=O)(=O)NCC#N 1297996399 SBSJPJNJSMSQLU-SFHVURJKSA-N 440.569 2.391 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1300307393 FTPOGFRODPGBEF-SJLPKXTDSA-N 446.573 2.288 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1300310385 MQXABBWGKGITOO-SJLPKXTDSA-N 431.537 2.391 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)[C@H](C)CC)CC1 1300685083 FVVKEIMFETXZRQ-VIZSFHNOSA-N 433.597 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC=C)cc2)CC1 1300724620 ADIBJGIPALKRQL-OAQYLSRUSA-N 449.555 2.361 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301061345 SLZKBISDUFOARZ-HXUWFJFHSA-N 433.944 2.188 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1301129950 IGJJWIRKFCTMRI-DLBZAZTESA-N 431.562 2.212 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1301297127 MCQPGXXGKCXJGE-RTBURBONSA-N 449.577 2.011 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1301997516 YSJYGJRTGXXWBB-SJORKVTESA-N 445.520 2.289 30 10 IEEE C[S@](=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCC1 1302510052 AZZBPQMPILXRNE-YEELPYMVSA-N 435.594 2.227 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 1303008814 AWNOHGOEKQKQMF-ZIAGYGMSSA-N 438.410 2.351 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1303331261 JVOINSLWBUFABC-XXBNENTESA-N 438.532 2.262 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)C1 1303940232 VVVFFEGDHZLHCT-LVCYWYKZSA-N 448.593 2.097 30 10 IEEE Cc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)no1 1304227082 CJBHZWMKWYPJCF-HLLBOEOZSA-N 443.508 2.122 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304273528 YAWHEWPTGMEDMV-CSODHUTKSA-N 439.578 2.247 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)c1 1309081718 PYKOCTDNIBGPOL-UHFFFAOYSA-N 437.304 2.498 30 10 IEEE CCN(CC)C1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1313696639 VIUIZJWPPHHRGE-DQRAZIAOSA-N 443.596 2.314 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1358937112 IWMOUPQPIOKNCY-UFYCRDLUSA-N 427.553 2.465 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnc(C)s1 1358950064 VZUGTYDRQBPXLS-MRXNPFEDSA-N 432.550 2.469 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358959339 GYBRCYIKCPBYFT-JKSUJKDBSA-N 434.949 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCCNC(=O)OC(C)(C)C 1358991013 KTHKPTRIRQSAJM-UHFFFAOYSA-N 425.537 2.446 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CC)C1 1359002449 ZRGIWEDOSPBEBC-GOSISDBHSA-N 443.621 2.348 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCO[C@H]1C 1359019884 KWMLIHWPHVIYKY-BTYIYWSLSA-N 436.459 2.172 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(C)=O)c2)CC1 1359034676 ZYLZUPKSAQGNIL-UHFFFAOYSA-N 429.528 2.410 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CCO)CCOCC(F)(F)F 1359089161 CMMXSSMISLKMRK-GFCCVEGCSA-N 443.264 2.416 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359090004 SPFWNENEOHSNDG-PMPSAXMXSA-N 443.470 2.263 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1359107102 CLODWZHRAWFFFX-XAUMDUMWSA-N 425.599 2.496 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC 1359234599 URAPPHDVUYFDHP-UHFFFAOYSA-N 428.356 2.187 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359288009 OHAWZMOVRGICIE-KRWDZBQOSA-N 444.530 2.466 30 10 IEEE Cn1cc([C@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2(C)C)cn1 1450239951 TVZWEBAMYJWXJS-MOPGFXCFSA-N 434.500 2.149 30 10 IEEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1457536176 SPRTYCMUAYNCCN-AWEZNQCLSA-N 430.534 2.366 30 10 IEEE Cc1cc(C#N)cnc1C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1463391430 CLUTUHRMMLABBN-UHFFFAOYSA-N 425.493 2.179 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1468183957 REJSMXBOUZBHIV-KGLIPLIRSA-N 435.949 2.366 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)ccc1F 1470098381 HDQUISVCOJRSMB-UHFFFAOYSA-N 434.518 2.186 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)(C(F)(F)F)CC2)cc1 1472166684 XMKSLFYZMTZEID-UHFFFAOYSA-N 448.463 2.499 30 10 IEEE C#CC1(O)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C1 1472246731 QDRBQSPATSILFN-UHFFFAOYSA-N 435.299 2.070 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1 1475667767 UQJQPZXUODBKDP-QHAWAJNXSA-N 433.574 2.099 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO)[C@@H]1CCCc2c1cnn2C 1503412226 IILHETDDQSTRAW-HXUWFJFHSA-N 435.532 2.463 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1507544644 ZNPOOYSFCIWALL-AUUYWEPGSA-N 435.322 2.229 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507628945 QTGFTAXRQAZGSV-DZGCQCFKSA-N 439.994 2.372 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1507635156 PVENPHFNFATSCO-LJQANCHMSA-N 443.573 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1507740850 ZXJNQQBZNVXCFH-QFIPXVFZSA-N 434.588 2.499 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2C)C1 1507753303 DTZUOVCPILAVIP-OALUTQOASA-N 425.558 2.482 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507913421 YOOAQPLVYWXKLR-HNNXBMFYSA-N 442.951 2.348 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1507945619 JBUWJDTTXUFJRU-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C)C1CC1 1507989024 VHOCIVJJBLOZGD-YCRPNKLZSA-N 432.546 2.043 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1508081355 XKXBMHNQXRJAPB-KRWDZBQOSA-N 438.532 2.359 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1508143059 WMEDNTVMOTZXBZ-UHFFFAOYSA-N 433.582 2.045 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1508415283 BAJADOLABZVUPJ-HZPDHXFCSA-N 430.509 2.045 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4coc(C#N)c4)CC3)[C@@H]2C1 1533097920 SDZUEZJSMPAPFH-SJORKVTESA-N 430.461 2.196 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1 1539179477 OSYUYYMEADXZCM-GOSISDBHSA-N 426.521 2.294 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539211224 JGULULLFRGGJLF-RBUKOAKNSA-N 445.589 2.260 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539220827 MDNOMKSEGGOHFJ-QZTJIDSGSA-N 434.587 2.217 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCOC1 1539504559 KDPGOGCXEBXBNT-QGZVFWFLSA-N 438.561 2.150 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2cnccn2)CC1 1540868230 XDMDHZTWHPJFOL-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 1540871647 QCJDXJFSEUUCOZ-UHFFFAOYSA-N 440.592 2.500 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1541894442 SAWLGWFBOJNSKD-INIZCTEOSA-N 449.577 2.413 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C1 1541994822 DBLFYGAXTLTBNX-JOCHJYFZSA-N 449.540 2.010 30 10 IEEE CC(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1544094394 SMXZTMSXMNILBJ-IXDOHACOSA-N 427.567 2.055 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)cc1Br 1544686625 QPNZYDRCTDHOLS-UHFFFAOYSA-N 429.230 2.394 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1546848832 QIQGGXJTUFPLIN-QHCPKHFHSA-N 433.516 2.350 30 10 IEEE CCN(CC)CCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547492827 PSWWYTBSIGLJPP-INIZCTEOSA-N 425.537 2.049 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1548000884 HVVUMVHHKSADGL-WQTXXOFMSA-N 445.495 2.238 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)c2ccccc21 1554329026 VYJKGBXOGDRKKI-UHFFFAOYSA-N 441.561 2.116 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(=O)OCC 1561828208 HJXZJFULWYMJBU-GFCCVEGCSA-N 440.301 2.488 30 10 IEEE Cc1nc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)sc1Cc1c(F)cccc1F 1562806747 HYROBYNGYPAIOK-UHFFFAOYSA-N 446.439 2.276 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)s1 1567011110 FTYHLGCESUHKNX-CYBMUJFWSA-N 431.580 2.174 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C)c1cc[nH]n1 1569731332 SEEAAHWUADFBND-UHFFFAOYSA-N 447.923 2.474 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 1570812993 AMSNMPCKKBTUNR-OAHLLOKOSA-N 431.294 2.043 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 1583522028 VCSLOVSVJCAGMP-ZDUSSCGKSA-N 434.265 2.299 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1)c1cc[nH]n1 1583718236 FNLQTOMHBXMNOU-OAHLLOKOSA-N 438.843 2.086 30 10 IEEE Cc1c(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc(Br)c1C#N 1585591448 VTXLCFFTCWBGGW-VRSYBVEWSA-N 432.274 2.119 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1585916294 AFZZHECHFFNBHV-PMACEKPBSA-N 429.565 2.068 30 10 IEEE C#CC[C@H](COC)NC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 1587392895 WCQDLNAJMBDQFN-QGZVFWFLSA-N 426.542 2.115 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1587861638 OYPRHTJJASVVOL-LEWJYISDSA-N 442.585 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1Cc2ccccc2O1 1588174535 WXSLIOHATLHXEL-IBGZPJMESA-N 426.480 2.392 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCN1CCCS1(=O)=O 1588481504 KUCXONRVANSESW-UHFFFAOYSA-N 431.537 2.360 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCC)cc2)CC1 1588732488 BJUWDIBPMOZFQC-UHFFFAOYSA-N 436.560 2.106 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1593884168 DEMBJFZPYTZJKZ-STQMWFEESA-N 442.891 2.480 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594761034 UFRXRHVEFACUPM-UHFFFAOYSA-N 444.561 2.167 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1595870945 AKTWEHJVVFFOGR-AWEZNQCLSA-N 439.545 2.180 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595894862 ALZWXELFWBUVLW-INIZCTEOSA-N 425.562 2.103 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCCN1CCOCC1 1608226125 IPBGWJAIINYVPE-UHFFFAOYSA-N 439.564 2.037 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3CCC(C)(F)F)CC2)c1C#N 1612470180 LPVXJLNPZVTKOX-INIZCTEOSA-N 448.522 2.458 30 10 IEEE CCc1cnc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)s1 1613837875 IVIVXHBXDLWVQE-GFCCVEGCSA-N 449.562 2.057 30 10 IEEE COC(=O)CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCO1 1615540033 OWKQUBQVRHPXJK-SFHVURJKSA-N 426.435 2.217 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)[C@@H]1CCC[C@@H]1C#N 1620488322 VUVDTPIETBAVCS-VQIMIIECSA-N 434.562 2.432 30 10 IEEE C#CC1CCN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)CC1 1630856475 KZKMBDPJVKLWGW-UHFFFAOYSA-N 439.559 2.493 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1ccc(OCC#N)cc1)N2C(=O)OC(C)(C)C 1632310027 QUCLQOBFBHGNDD-CADBVGFASA-N 443.500 2.392 30 10 IEEE C#CCN(CC(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O)C(=O)OC(C)(C)C 1637167972 FSOXVXVTWHEKAQ-OAHLLOKOSA-N 436.306 2.151 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1637736053 LIMRZXGCCPYJMG-HUUCEWRRSA-N 447.960 2.463 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 1642870295 JBFSDCBUOJPOLD-QGZVFWFLSA-N 429.502 2.432 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)C1 1644638060 HDLKUIVABAYUOF-SFHVURJKSA-N 437.496 2.489 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1645666969 VAAMKWBKILOSOB-HNNXBMFYSA-N 431.489 2.186 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 1658308711 VQDXOCZRDLKMSR-UHFFFAOYSA-N 438.435 2.009 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1663279173 DSSOYYQBCNLJTI-UHFFFAOYSA-N 437.470 2.112 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)cc1 1668389764 SGWXFCLYDZTYOM-JOCHJYFZSA-N 426.473 2.427 30 10 IEEE Cn1ccnc1[C@@](O)(CCNC(=O)Nc1ccc(Br)c(C#N)n1)C(F)(F)F 1679661152 DFCLLMYZUGAJIA-AWEZNQCLSA-N 447.215 2.411 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)C2=O)cc1 1682227997 XXTYBJLQZPNDLI-LEWJYISDSA-N 443.511 2.212 30 10 IEEE C#CCN(C(=O)NCCS(=O)(=O)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 1683344969 VGDQASNDJKWEDT-MRXNPFEDSA-N 441.347 2.495 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 1687343065 SWPQBJKDUOAIED-GGPHIMKMSA-N 432.565 2.336 30 10 IEEE Cn1cc(C(F)F)c(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 1687362908 KXJVHGJWSMHQKT-UHFFFAOYSA-N 428.447 2.429 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689993776 LENSEISRJBUBTO-MRXNPFEDSA-N 441.479 2.233 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690043728 LPSRFWZVWLNYPZ-QFIPXVFZSA-N 447.587 2.054 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690120546 YLVXBBAALSVPBN-KRWDZBQOSA-N 427.553 2.189 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(CN2CCOCC2)CC1 1690178971 JIEKUZWGUIFOMH-UHFFFAOYSA-N 440.617 2.179 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCOCC2)CC1 1690394693 IMNNQQBYBYUUEO-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690502804 HCKDRRABHDBDKB-HXUWFJFHSA-N 435.532 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690719042 GFEUYKCBCIULPJ-MSOLQXFVSA-N 447.605 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690722774 VAVQZHUSHPTLHR-IBGZPJMESA-N 441.561 2.287 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1695537309 GNVSFUKSCCTADB-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)C1 1695975540 HXGLPRPVXBFKHK-RTBURBONSA-N 442.520 2.193 30 10 IEEE COc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1697532531 KXHGTIVMHHCJET-LSDHQDQOSA-N 447.499 2.445 30 10 IEEE CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1698320253 ADPILIAWMQVOQM-LJQANCHMSA-N 442.589 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1705476938 HDUTUVDFHRUSMS-JKSUJKDBSA-N 443.573 2.385 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705489181 KPPGQKQDQINBDY-SFHVURJKSA-N 433.560 2.142 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705520471 VGAWEDKLFANDEV-UHFFFAOYSA-N 430.516 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccc(OC)cc1 1705600919 QFIRRSKLGBILLC-IBGZPJMESA-N 435.528 2.340 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705746079 QDWPPDMNOMVBPO-KSZLIROESA-N 427.977 2.302 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705830145 KCYPULOQABMMGH-WOJBJXKFSA-N 429.569 2.500 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1705884334 LZWHXGHSOJDGGY-INIZCTEOSA-N 438.525 2.015 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC=CCC1 1705900802 PUBBFUMWUKVIHW-UHFFFAOYSA-N 433.516 2.134 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2OC)C1 1705922529 OBZKHPRZHMZNDV-KSZLIROESA-N 441.532 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705934110 BHOJHYACFQVTJJ-OAHLLOKOSA-N 439.582 2.202 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1705943511 CPKWXXIPUBQGCV-MRXNPFEDSA-N 448.593 2.082 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1706079144 FODCXINGJVHBPA-MRXNPFEDSA-N 442.545 2.292 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC)OC 1709520597 FEDVDZVLRPVTFX-MOPGFXCFSA-N 426.521 2.259 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722327084 VVHIOQGULRBJQL-INIZCTEOSA-N 441.532 2.476 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722362032 LXEBLXIUSGYONL-AABGKKOBSA-N 442.585 2.431 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccc(F)cc2c1C 1722383960 RWMXCLAPTGWKLI-MRXNPFEDSA-N 440.500 2.495 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)c1ccccc1 1722419790 CZLAUVYXTJUBLQ-UHFFFAOYSA-N 428.514 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722448303 XOPYDZOEIAGLQJ-QGZVFWFLSA-N 446.596 2.356 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722457774 NFZPFOOKOZKGCC-HXUWFJFHSA-N 439.633 2.231 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722691241 REFZBYLIRYQKCR-UHFFFAOYSA-N 437.541 2.433 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722736734 GHQRQXIXFTUAMA-HZPDHXFCSA-N 432.550 2.085 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4cnn(C)c4)nnc3N(C)[C@H](C)CC#N)cn2)CC1 1728610098 WHQCJAPMEDZQKJ-GOSISDBHSA-N 448.579 2.002 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCSC1 1729369120 DODSWAFZLWPIMZ-NZSAHSFTSA-N 429.546 2.210 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](C)OC 1730876816 VDVVEBWBHKTLIC-SQGPQFPESA-N 429.521 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)nn(C)c1C 1740549079 DMIBDRNNDTTXSG-INIZCTEOSA-N 433.564 2.309 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740627051 OGUFFXDIIYAODB-VQTJNVASSA-N 428.558 2.156 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1c(C)noc1C 1740638477 NGCTUXVXSMMBQA-UHFFFAOYSA-N 444.543 2.372 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740669954 DUEFVCPLIAHPBA-OAQYLSRUSA-N 440.567 2.410 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1Cc2ccccc2O1 1740680113 RNSVUCOOSJUXRB-YKSBVNFPSA-N 440.544 2.408 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@H](C)C1 1740680602 IJPALDWUPWRBLM-MSOLQXFVSA-N 446.573 2.250 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740709773 RDJAXOULJPDDBL-UHFFFAOYSA-N 447.630 2.420 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740712531 LEUDHPKVJNCOJH-OAQYLSRUSA-N 442.545 2.027 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ncnn1CC(F)F 1740756407 HLRXDDVNSNUWKN-KSSFIOAISA-N 445.478 2.209 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740850152 FESTUMPESPKNLH-QGZVFWFLSA-N 428.581 2.498 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@@](C)=O)cc1)C1CC1 1740912856 UYGIKCJFVAIMNM-SSEXGKCCSA-N 427.574 2.482 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1740964387 ODAWAYUTXZUQML-QHCPKHFHSA-N 441.532 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(C)C)C1 1740992096 AKZXSQMTDCLLFA-FQEVSTJZSA-N 448.589 2.340 30 10 IEEE CC1(C)CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1742005942 QPAIWYBQSCKJEU-ZPHPHTNESA-N 428.537 2.466 30 10 IEEE Cc1ccc(CSCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1742239897 YTFHQEBWZDPXDV-IBGZPJMESA-N 440.573 2.371 30 10 IEEE CCc1nnc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1744522336 XNHMJOQWBFITRV-MOPGFXCFSA-N 435.529 2.223 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccnc1 1748006625 QUIQAULCGRLDNL-MRXNPFEDSA-N 442.321 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC(C)C 1748684998 SKRIYZOJTUOPQC-SFHVURJKSA-N 433.578 2.260 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1748717812 IYALAFRXEWJHQM-JKSUJKDBSA-N 435.575 2.018 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCCC1 1748828276 AADHZEAKBVBGOQ-UHFFFAOYSA-N 427.512 2.454 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748844308 QZVYDOAQOHKIRN-FPOVZHCZSA-N 434.544 2.261 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1748922996 PWJTZDPGBGUWNJ-UHFFFAOYSA-N 430.516 2.399 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1748929677 NFNMORPIULJNJZ-QFIPXVFZSA-N 438.576 2.278 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(COC)CCC1 1748961261 ZHQUGILFYSUAHR-UHFFFAOYSA-N 436.516 2.497 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(Cl)c1 1748963091 YDAWMOSJCROWBG-HNNXBMFYSA-N 440.928 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2oc(CC)nc2C)CC1 1749008543 BWWILBBZIMZZQJ-UHFFFAOYSA-N 433.516 2.213 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(OCCN2CCCC2)CC1 1749032387 FTCWRGGNLNMMEH-UHFFFAOYSA-N 441.605 2.183 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@@H]1C1CC1 1749053864 MZMURPHSWCFOEM-APMMZXSISA-N 435.594 2.086 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N(C)C)CC1 1749331395 JDPOYLWZEWYPNI-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1749547226 LNRPXNLJWMNYRD-PKOBYXMFSA-N 429.496 2.366 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1749584169 IETIZTBSGPIQTL-XMSQKQJNSA-N 427.574 2.332 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N(CCO)Cc1cc(Br)ccc1F 1749672477 VRNPLKXYLISOOC-UHFFFAOYSA-N 440.317 2.043 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCCOC4)C3)n2CCOCCCO)cc1 1750384069 MKUYHAXMOAGCRE-HSZRJFAPSA-N 441.532 2.135 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1750490477 IDDHWFIEXCSWGF-RCCFBDPRSA-N 446.552 2.158 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1751000692 FQUSBTKIINZKJE-SFHVURJKSA-N 442.589 2.218 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1760110263 CEWOXTQITRCFBT-IAGOWNOFSA-N 449.559 2.438 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1760179568 IVYVCNSXXAGIDK-HNNXBMFYSA-N 426.525 2.006 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760189844 XAXZCPUFZQYLPD-RBUKOAKNSA-N 438.594 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOCC)C1 1760313548 OISZLJVYOOJBEG-AABGKKOBSA-N 447.580 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)C[C@@H]1C 1760517250 HUQSEPKFMDDXCY-CABCVRRESA-N 442.589 2.101 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)C1 1760537269 MKWKKWSSTSHGLR-XMSQKQJNSA-N 430.553 2.110 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760556493 FRGHVKYLRPLRCG-SJLPKXTDSA-N 435.619 2.204 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)cn1 1760628280 PPGQSECSOJODLH-CYBMUJFWSA-N 436.476 2.146 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1760640417 OBRNWTGBJMBHKG-HXUWFJFHSA-N 437.548 2.084 30 10 IEEE CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1760873741 GKQOPYNSDGWDEE-HXUWFJFHSA-N 443.596 2.001 30 10 IEEE CC12CCC(CC1)N2c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1761573658 JTXKRHBHOACKOC-UHFFFAOYSA-N 429.546 2.399 30 10 IEEE CCCNC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1764549923 HRZWBCQJLNTNPD-DYESRHJHSA-N 428.468 2.149 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1767822445 CJQQPMSOZNVPFH-HSZRJFAPSA-N 437.548 2.219 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1769372553 ZQZDDQVRXZBQLA-HSZRJFAPSA-N 439.516 2.317 30 10 IEEE CO[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769563338 WQOFXFZNRNORNJ-CJNGLKHVSA-N 448.369 2.258 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1C 1769896178 HETWIXDERAZCSH-LPHOPBHVSA-N 446.502 2.398 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1770054689 ZZNDNGGFEKZLRV-VQIMIIECSA-N 427.505 2.104 30 10 IEEE CS(=O)(=O)CC1(Cn2c(Cc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1 1770325202 HFCBUUVOJHDZLJ-UHFFFAOYSA-N 428.562 2.219 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1771207155 GWCXFBGJXIORKQ-OOADYSHXSA-N 446.552 2.155 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(Cl)cccc1OC 1771223355 VOADKIINNMAOEO-HUUCEWRRSA-N 435.912 2.441 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1771530369 JHMCTSCDAFARRV-RKVPGOIHSA-N 446.449 2.225 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1772555256 QBAYFIYGTAZBFX-NRFANRHFSA-N 438.594 2.157 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1772566940 NSKMTGICDMOTKZ-ZACQAIPSSA-N 448.568 2.171 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CN3C(C)=CC(C)=NS3(=O)=O)ccc21 1850597607 JSLFXUNRJMTTBJ-UHFFFAOYSA-N 446.529 2.488 30 10 IEEE CCN1CCN(CC(=O)Nc2c(C#N)c3ncccc3c(=O)n2CCc2ccccc2)CC1 1852194314 FNXMUFLMRVKWIP-UHFFFAOYSA-N 444.539 2.087 30 10 IEEE Cc1nn(-c2ccccc2)nc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852328150 ATUTYGDJXRSDOA-JOCHJYFZSA-N 447.495 2.384 30 10 IEEE N#Cc1c(-c2ccccc2)ccnc1C(=O)N1CCCN(C2CCS(=O)(=O)CC2)CC1 1852780433 IVBLOICMNSXVDH-UHFFFAOYSA-N 438.553 2.345 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCCc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854646500 YCFGGRXUDIUTEY-QGZVFWFLSA-N 425.510 2.329 30 10 IEEE CC(C)N1CCCC[C@@H]1C(=O)N1C(=O)C[C@H](C)N(S(=O)(=O)CC#N)c2ccccc21 1857467233 BXYHGIOYSWRDMX-QFBILLFUSA-N 432.546 2.261 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN(CC)CC)=C(N)Oc2c1c(C)nn2C 1864317398 YTPFRMPPEVJAJA-FQEVSTJZSA-N 439.560 2.446 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 1866580266 URVHXVSLTUNSTJ-YLJYHZDGSA-N 443.500 2.188 30 10 IEEE CCCCCCCOc1cn(CCN2CCOCC2)c(CN2CCC(O)CC2)cc1=O 1870411193 XICSFWLDJUBLAM-UHFFFAOYSA-N 435.609 2.486 30 10 IEEE COc1cc(/C=N/n2cnnc2SCC(=O)NCc2ccccc2)cc(OC)c1O 1874541021 IMFNICJPXDFMOH-FOKLQQMPSA-N 427.486 2.292 30 10 IEEE CN(c1ncc(Br)cn1)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 1890825425 OHVHJMMSTNYIFK-HNNXBMFYSA-N 436.335 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669383 CUMOIDVQPIAKJS-CVEARBPZSA-N 447.341 2.080 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1OCC#N 2164488140 TYCKFMRZNBXXBH-HXUWFJFHSA-N 431.445 2.355 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(F)c1 2195346993 CRQMCZXVZNQPSP-SFHVURJKSA-N 434.445 2.382 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2224094118 KUYPXQGVGUUMTO-UHFFFAOYSA-N 432.374 2.028 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227490427 HODZGRVCAPXXDR-MAUKXSAKSA-N 443.363 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2232257744 BDISKASLZUZDQL-UHFFFAOYSA-N 446.401 2.157 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243387544 WHVDLPVJSDSELB-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256014426 OBKUYSKFFMCEOC-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE COC[C@@H](CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2256669552 RDOZCPFCBKNHET-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)cc2F)OC1(C)C 2256907647 VFJXPXUJHYNKIN-UHFFFAOYSA-N 449.309 2.400 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 2267184244 TYUXHISLAFVPEU-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE Cn1ncc(C(=O)NCC[C@@]2(C)CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267486688 NAGCXQBHLOUTRY-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2267498486 UYHOPAGNKHHCLV-LSDHHAIUSA-N 448.373 2.141 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267873724 RGKMZFDUBZRNDU-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268643050 JABFULQCAUMQQW-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE C[C@H](NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268700022 IUMZFODUMKVGCB-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE O=C(C=C1NCCc2cc3c(cc21)OCO3)c1ccc(=O)n(CCOc2ccccc2)n1 2296556010 NDPBKFZVOHMJMI-UHFFFAOYSA-N 431.448 2.421 30 10 IEEE C[C@H](C#CC(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C 2302423440 MWLOCSGJQHGTGA-LJQANCHMSA-N 429.561 2.436 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2337291744 JQFBGRVGQXZXOZ-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(Nc1ccc(Br)cc1C#N)C(=O)O 2347982724 CMYUCSOPMHNGGE-DYVFJYSZSA-N 426.267 2.480 30 10 IEEE CCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)s1 20917449 HDRQGAFNZMLAKU-QGMBQPNBSA-N 449.591 2.441 30 10 IEEE Cc1cccn2c(=O)c3cc(C#N)/c(=N/C(=O)c4ccncc4)n(C[C@H]4CCCO4)c3nc12 102746730 CIMGORAANATHHE-MLIREZTKSA-N 440.463 2.144 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2F)C1 111219077 QOKMPZLAIVHMJE-GUYCJALGSA-N 438.456 2.351 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)NC2(c3noc(CC4CCCC4)n3)CCCCCC2)CCO1 409486062 OKNPKRDVHWBNAZ-KRWDZBQOSA-N 437.566 2.411 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 409491185 LNXLLTMMHRVBEO-CQSZACIVSA-N 435.468 2.291 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCC(C)(C)O3)nnc12 428874853 BHKHWRNEKUHOMM-AWEZNQCLSA-N 427.530 2.396 30 10 IEEE CCCc1c(NC(=O)C(=O)NCCc2cccc(OC)n2)cnn1-c1cccc(C#N)c1 443682221 MQKKRMDNQJLXOZ-UHFFFAOYSA-N 432.484 2.397 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460567576 YSAONSRGYKVUKW-UHFFFAOYSA-N 446.533 2.434 30 10 IEEE CCN(Cc1cn(C)nn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 461809827 POPHAKRCNARNLH-FQEVSTJZSA-N 436.520 2.453 30 10 IEEE COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 465386682 GTRRGJBSLNAOGN-RBUKOAKNSA-N 447.557 2.381 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)OC 481603144 HJMBQPKNUXOAEP-LLVKDONJSA-N 446.241 2.490 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O 501960321 JERSQKANZUQOHH-UHFFFAOYSA-N 439.299 2.009 30 10 IEEE COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N(C[C@H](C)C#N)C3CC3)cc2)C1 513897965 BSZFNHUNTZZQIE-HZPDHXFCSA-N 448.545 2.416 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(F)cc1 514918150 RZFPAKXXPKUJOA-UHFFFAOYSA-N 437.496 2.076 30 10 IEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2cccnn2)CC1 515066713 RKEURGOMEKNEDY-UHFFFAOYSA-N 429.488 2.287 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1-c1ccccc1C#N 519490740 OYINAABHCDOAGC-UHFFFAOYSA-N 448.573 2.424 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(c2nnc(C(F)(F)F)s2)CC1 520291581 DPCXZXWZVVPYAP-LBPRGKRZSA-N 445.471 2.139 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 524489604 HRGZCTUZYXWZAE-HXUWFJFHSA-N 425.510 2.095 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 538115793 DBRGYCMSFHFMCU-UHFFFAOYSA-N 433.489 2.414 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 554462116 NKPISLGYRZXPSZ-MRXNPFEDSA-N 436.603 2.295 30 10 IEEE COc1cccc([C@@H]2[C@H](NCCS(=O)(=O)c3ccc(C#N)cn3)CCN2C2CC2)c1 554742393 PJXDPMBOBJYNBV-IFMALSPDSA-N 426.542 2.303 30 10 IEEE CN(C)S(=O)(=O)C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(F)(F)F 560730190 BZLCSSPGQQLOJZ-OAHLLOKOSA-N 442.419 2.298 30 10 IEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(Cc2nc(C)no2)CC1 563458241 FURKPAXBYVWEME-UHFFFAOYSA-N 439.520 2.455 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)CC2)o1 565375861 XIGMSRREXLJHJE-UHFFFAOYSA-N 428.537 2.258 30 10 IEEE C#CCn1nc(CNC(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)c2ccccc2c1=O 585171059 YPSDGENSBTWXMS-UHFFFAOYSA-N 427.420 2.079 30 10 IEEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cc(F)ccc1N1CCN(C)CC1 586845517 HSILFHZXULHVOV-OAHLLOKOSA-N 441.482 2.082 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 608826402 AXDAUAPVQOZYPI-PBHICJAKSA-N 441.509 2.115 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(F)c1 609256589 AGKZUWNVPGJLAW-UHFFFAOYSA-N 444.488 2.127 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)N=c3nc(C)[nH]n3-c3ccc(C#N)cc3)c2)o1 611523419 ZAQVMJRWNPERCK-UHFFFAOYSA-N 429.440 2.361 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)O[C@H](C)C2 732155478 CCBZIYGCMYDTMF-FLVLRRMNSA-N 425.485 2.155 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732696520 HVRFQOLOTHLMKQ-GOSISDBHSA-N 431.562 2.374 30 10 IEEE COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732698788 IXUKVPBKMQSCES-GFCCVEGCSA-N 432.424 2.193 30 10 IEEE CCn1c(COC(=O)Cc2cccc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 750431364 SIZWFXBFXLVUNE-UHFFFAOYSA-N 426.498 2.464 30 10 IEEE C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751728593 PWAZRIMXYLZEOZ-HNNXBMFYSA-N 444.513 2.255 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSC 751824816 INJAQOYKCQLZHU-CQSZACIVSA-N 426.567 2.039 30 10 IEEE COc1cc2c(cc1C(=O)Nc1ccc(S(=O)(=O)/N=C3\CCCN3C)cc1)OCO2 758956765 YHZYBDXQYZTXTK-ZBJSNUHESA-N 431.470 2.489 30 10 IEEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@H](C)O2)[n+]1cccc(O)c1Cl 759054015 GAPNOLQMRXYRKR-NSHDSACASA-O 430.893 2.487 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CC[C@@](O)(C(F)(F)F)C3)nc12 762185549 SXBGXEGLZVRNCG-KRWDZBQOSA-N 425.436 2.323 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 777754406 DUZOAQXFSWLKOX-JFIYKMOQSA-N 443.552 2.214 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnc(C)s2)cc1 779746920 KOLOSWROBCSQOL-INIZCTEOSA-N 446.602 2.355 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 796490426 NGAKRXFNUGINPE-TZIWHRDSSA-N 441.576 2.337 30 10 IEEE C=CCN1CC[C@H](OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1=O 798569108 JWQBNTGIZGHCNA-NRFANRHFSA-N 440.521 2.377 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CCN1C1CC1 799252514 GTSVPBLYPKQSEK-SNVBAGLBSA-N 429.677 2.379 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)ccc1F 801474932 ZCSXEVDTFAJTBH-JOCHJYFZSA-N 432.517 2.456 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 810473299 ALAMGIJNFMOOOF-SFHVURJKSA-N 431.901 2.309 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 813471393 JLCQVUZESLRKOA-LSDHHAIUSA-N 426.489 2.163 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 815090485 QKJNVEYTRNCTBE-QZTJIDSGSA-N 444.598 2.205 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OCCCc2nc(-c3cccs3)no2)cc1 913289806 JCURBZUVLKPZCY-UHFFFAOYSA-N 431.495 2.499 30 10 IEEE CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NC(=O)[C@@H](C)Oc1ccccc1C#N 916187634 WMCAGJICEAXYMK-CYBMUJFWSA-N 431.470 2.188 30 10 IEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1=O 916775292 OIICRNHJOQJWEQ-HNNXBMFYSA-N 447.900 2.219 30 10 IEEE Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 916896392 GBBBXPYMKXZNFD-SJLPKXTDSA-N 444.513 2.348 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NCCc3ccc(OC)cc3)cc2C1=O 917033619 JEVDDGGYBYMITR-HXUWFJFHSA-N 431.448 2.159 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H]2CCOC2)CCN1C1CC1 1119042997 YJVHEHBKOMEZEG-XMSQKQJNSA-N 444.543 2.344 30 10 IEEE CO[C@@](C)(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)OC(C)(C)C 1125189577 XVCIVFJHSJYFRY-RAGBYUADSA-N 439.534 2.185 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1128456698 NRFYXQHHMCLBCT-IEBWSBKVSA-N 444.532 2.370 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 1136861590 FFBBJWSKPMCHIN-UHFFFAOYSA-N 431.492 2.273 30 10 IEEE C=CC[C@@]1(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1137885163 ZVNWPGANPYAMBK-AOMKIAJQSA-N 439.553 2.152 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 1140339683 GOSQTCJSWOSSTK-FDYAIDJWSA-N 442.443 2.355 30 10 IEEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OCC 1140926255 QEKLJENDRSJPOU-BXWFABGCSA-N 438.546 2.112 30 10 IEEE C#Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)c1 1142211068 HCTRGDDIUDKNAL-IRLDBZIGSA-N 426.538 2.232 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)COc1ccccc1C(F)(F)F)c1cc[nH]n1 1142303275 DZMQAKARHMJSBD-GFCCVEGCSA-N 442.394 2.296 30 10 IEEE COc1ccc(NC(=O)C(F)(F)c2ccccc2C#N)c(N2CCN(C(C)=O)CC2)n1 1142796094 RWXPGMYNGCRECW-UHFFFAOYSA-N 429.427 2.361 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CC(F)(F)F)C(=O)C3)C2)C1 1157184743 FXIBRAGKJHJXOQ-BIWSTMPVSA-N 444.454 2.006 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)c1 1168641428 AEHKENXPWMNAFW-INIZCTEOSA-N 425.470 2.455 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 1183511454 OSUXXUQBQUMKIP-UHFFFAOYSA-N 440.285 2.053 30 10 IEEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 1197809258 RHLUZPGPPIVUJT-SFHVURJKSA-N 435.937 2.136 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccc(N3CCCNC3=O)cc2)C1 1233851373 GVSBQBYKFJXJAD-AEFFLSMTSA-N 442.520 2.165 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NCCN3Cc4ccccc4OCC3=O)CC2)c1 1252506197 CKWLJBSTGISKMN-UHFFFAOYSA-N 447.539 2.243 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1252969827 ADDVWDJDBDFNJU-ZFWWWQNUSA-N 426.505 2.282 30 10 IEEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286319881 XZCYPDMSQXBMKA-UHFFFAOYSA-N 440.523 2.061 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286321242 LMHZJANEJVACHE-UHFFFAOYSA-N 428.562 2.476 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN(C)S(=O)(=O)CC 1286364617 GXIGEVOCBUQXOV-UHFFFAOYSA-N 441.561 2.076 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388808 VPWMOYUGLFBKEO-DENIHFKCSA-N 428.558 2.387 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1COCCO1 1286461381 RSWOYQBZMBMUQX-OAQYLSRUSA-N 438.507 2.334 30 10 IEEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1286755095 ZAHFNLCENUCSKK-JOCHJYFZSA-N 427.553 2.475 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1286757591 RXLSHTSKIPAEFA-INIZCTEOSA-N 426.608 2.271 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286784715 RDOFMXIVUBUDPB-SFHVURJKSA-N 447.543 2.100 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCOC(F)F 1288176420 XDMCHBDWYRHLKV-QGZVFWFLSA-N 448.474 2.495 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1CCCc2ccccc21 1289233850 YENLUWXYJKVAQE-NRFANRHFSA-N 441.553 2.199 30 10 IEEE CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1291497313 VYXVAHIDBFJCOY-GUYCJALGSA-N 425.493 2.071 30 10 IEEE CCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1294202685 FOUKMWOMNQFRQX-GOSISDBHSA-N 446.577 2.389 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1294841626 FKCJMEACICDVGA-OAHLLOKOSA-N 432.550 2.003 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1294890797 HQDDRIBHCSULRF-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1295194782 ZXNSMZJQTPJEDI-VZCXRCSSSA-N 436.520 2.421 30 10 IEEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(=O)OC(C)(C)C 1298666593 HTTOOILJYUGHEM-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc1OC 1299023914 AKQGIKYXZIGDBI-OJJSLQOQSA-N 448.541 2.243 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2CC)c1 1300334207 IJLXKOHQGMYNAR-CTNGQTDRSA-N 436.560 2.323 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@](C)(O)C2CC2)c1 1300334494 NIDIEGGBKIJZCJ-VWLOTQADSA-N 444.539 2.481 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)(F)F 1300432615 MGSHBWMJGQHMEI-UHFFFAOYSA-N 445.405 2.379 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1300532753 ZTPSMBVXAJELGQ-SFHVURJKSA-N 435.528 2.297 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)COCC)CC1 1300698140 OJGMJAGGLMUIQU-UHFFFAOYSA-N 449.559 2.412 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300769510 HNOSGZLTWABXKE-JOCHJYFZSA-N 425.558 2.248 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1300983721 NRNICPVZCAQRHW-JTSKRJEESA-N 443.552 2.375 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300997644 XIMSFXQFKMQHHS-GOSISDBHSA-N 427.553 2.241 30 10 IEEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C)C1CC1 1301322418 IREFLOJXSUGCMA-UHFFFAOYSA-N 445.593 2.165 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1301414394 AYHRRMUWJTVHJZ-UHFFFAOYSA-N 449.939 2.105 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](COc2ccccc2)C1 1301507219 ZHPOTZIEGBYKFS-LJQANCHMSA-N 432.528 2.471 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)C)CC1 1301715526 GDABAAZSGYGZOU-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)c1 1303420867 IBCABLHGLSEXGN-KRWDZBQOSA-N 443.525 2.000 30 10 IEEE C=CCCC[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1303687417 PWOFAHIWGADMBJ-HNNXBMFYSA-N 437.290 2.449 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2)[C@@H]1CCCO1 1309422685 YXPDHFYLZCEWAO-ZFWWWQNUSA-N 427.320 2.183 30 10 IEEE COc1ccc([C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)cc1 1312624322 CAFYTNURSSAHGW-FGZHOGPDSA-N 434.496 2.451 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)C[C@H]1C 1316125090 FSDSNIQCJMPJGQ-LJQANCHMSA-N 434.548 2.179 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1324631515 JDAYKQFODSSWRK-MRVPVSSYSA-N 427.891 2.413 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1357272139 ABSDBFBYYUMIHS-UHFFFAOYSA-N 449.437 2.387 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1358936894 ASBBQDMXOJJGMI-ULQDDVLXSA-N 429.487 2.488 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCOC[C@@H]1C 1358970293 KYFKTYPCNPAJRI-RBUKOAKNSA-N 425.508 2.351 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCC(=O)N1CCOCC1 1359072643 LRAORPDHFGVWGL-XMMPIXPASA-N 437.544 2.141 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359294931 JOGXFJRDKGKOEH-IBGZPJMESA-N 449.559 2.250 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359302173 YLBGBKPYLKOSDR-CZUORRHYSA-N 441.429 2.466 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(Cn2ccnn2)CC1 1359329789 VHKNDALDKSJYKT-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359473837 JDPUUWFEOKKCJK-PMPSAXMXSA-N 430.475 2.031 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)OCc2ccc(Cl)cc2)s1 1446743996 PFIWPKCZXHMEOJ-UHFFFAOYSA-N 442.946 2.268 30 10 IEEE C=CCOC[C@@H](NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)C(=O)OC 1448491866 CHCFWEJPNPVCSQ-MRXNPFEDSA-N 437.493 2.263 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1469888070 GGGIQIJIOAHPLA-FQEVSTJZSA-N 446.504 2.112 30 10 IEEE CN1C[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](c2ccccc2)C1 1470033962 VDCYZNMIQGLRGP-VJBWXMMDSA-N 431.540 2.304 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CC1 1475698371 UZIVSWPXYNBGPO-UHFFFAOYSA-N 431.743 2.126 30 10 IEEE CN(C)C(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1503366668 COKQONHDSMTLAI-UHFFFAOYSA-N 434.504 2.202 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@H](C)CC 1507527033 FYOSCLQIUMPBSX-HZPDHXFCSA-N 445.593 2.001 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1507544646 ZNPOOYSFCIWALL-KUHUBIRLSA-N 435.322 2.229 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(C)COCCO2)c1 1507550276 IOGKGKLLTPKNRN-QHCPKHFHSA-N 425.533 2.338 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631867 UQVDXUJCBHVPAJ-IBGZPJMESA-N 434.525 2.075 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1507725920 DGAXUUPULYDTQN-UHFFFAOYSA-N 427.512 2.122 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1508003210 USPHUGMNIBOXQC-LJQANCHMSA-N 443.573 2.028 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(SC)CCN(C)CC2)C1 1508115462 AGOKFACVJSYUGP-GOSISDBHSA-N 431.610 2.287 30 10 IEEE COc1ccc(CCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)cc1 1518198449 QADFVLPXLIAXSQ-MRXNPFEDSA-N 434.500 2.252 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCCCCO)cc1 1521101842 JOKMJIOXLRDPCB-UXHICEINSA-N 438.532 2.139 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Cc2c(C)cc(C#N)cc2C)cc1 1525680965 OWBLJVNHCQSZQW-UHFFFAOYSA-N 428.510 2.122 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1526767483 CGVKFXFVYFCDEM-GOSISDBHSA-N 441.553 2.215 30 10 IEEE C[C@]1(C#N)CN(C(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCO1 1536619803 STMUOYGPPGKKSK-SFHVURJKSA-N 425.938 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1539003141 MEGZHKCCFDZDNU-DLBZAZTESA-N 438.532 2.355 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1539120395 UORKEYJJXQYMNO-HXUWFJFHSA-N 436.560 2.346 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1539206658 UEYNHGSCQLUFQV-WOJBJXKFSA-N 430.574 2.483 30 10 IEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539225123 LZTVJPRDUQXUEH-AEFFLSMTSA-N 441.557 2.012 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1539231368 RRTWKRPYKAUUIY-CQSZACIVSA-N 442.994 2.399 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)CC1 1539447873 XWMOOHZBYWLYMJ-QGZVFWFLSA-N 428.503 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1539640939 KQNNZQKKXIBDJB-RFWXGWTQSA-N 447.580 2.003 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1540875838 ZJZHPRVIUKRLIX-IAGOWNOFSA-N 430.528 2.217 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1541957767 SBILRKIZBKHYNJ-ZOCZFRKYSA-N 431.924 2.462 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)c(N(C)C)cc2C#N)C1=O 1545066173 LMNKQPNHPAIYIN-HSZRJFAPSA-N 435.484 2.347 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1552922042 NXYFDCYJEYLFFV-JLUOLNIDSA-N 449.540 2.285 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1555620884 VXJJCFOELKJDMN-ZNUSLJCYSA-N 446.552 2.011 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 1558624941 NMPCEIPLGNZNBS-WMZOPIPTSA-N 449.573 2.128 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N=c1cc[nH]cc1OC(C)C 1558731468 ZLYWBGKNSMKLDW-QGZVFWFLSA-N 430.530 2.383 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)n[nH]2)c1 1559046445 HQMZUVZPLGHVLW-GOSISDBHSA-N 432.440 2.319 30 10 IEEE CCOC(=O)c1nc(=NC2CCN(c3ccc(C#N)cn3)CC2)c(Br)c[nH]1 1559094414 PKSHCRFEBMCZNY-UHFFFAOYSA-N 431.294 2.185 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1561152658 PKQLZTGFYWZAQA-UHFFFAOYSA-N 437.562 2.163 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)s1 1567216867 USHINFNDFZPLIV-AWEZNQCLSA-N 443.591 2.223 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O 1569413752 LZASWCTUDFMSQI-QXAKKESOSA-N 433.574 2.438 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587718571 IUZPGDXWZCXCKV-IBGZPJMESA-N 436.516 2.230 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1587765429 GOJDDLHUIPWQCN-FQEVSTJZSA-N 443.573 2.417 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1587765605 IRHPLTHKLYNFLW-ROUUACIJSA-N 437.610 2.287 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1587864995 FKDXFTVSZFWOHE-FQEVSTJZSA-N 434.588 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC=CCO2)CC1 1588961792 MHUAPPIZMQMCGZ-QFIPXVFZSA-N 449.555 2.476 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1589009004 YOOQMCYLBDSYIT-UHFFFAOYSA-N 429.571 2.455 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1589506068 RDWQCNRHWDXXFD-FUHWJXTLSA-N 447.517 2.069 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1589590127 SQUOBBOJBSABBC-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)cc2)C[C@@H](C)O1 1597706356 ZGODXRZSWXOPDH-VWKPWSFCSA-N 439.537 2.253 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCc2cnn(C)n2)CCOC1 1610465260 PBZQEEIAKUZHGV-FGZHOGPDSA-N 442.568 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H](CC#N)c2ccccc2)C1 1611545387 BEDPVROYGXFASD-MSOLQXFVSA-N 435.546 2.224 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)C1 1611774460 DJAFREBHPIMWOU-XMMPIXPASA-N 449.559 2.311 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2C#N)CC1 1614979330 FRQMQROYWJQPNR-UHFFFAOYSA-N 444.543 2.373 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CC1 1615888595 FOIXMVHOHCATAD-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1618120710 VIFYJWMYGMUXKG-WMZHIEFXSA-N 441.532 2.397 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1619860508 NAWPJHPEUXHCGP-UHFFFAOYSA-N 436.520 2.015 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1=O 1619937159 BGDQACIBNPNNKT-UHFFFAOYSA-N 430.459 2.157 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 1623740060 GHXZXCGSVRZGNC-XUJVJEKNSA-N 446.451 2.293 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1623969471 LOAXQRPFSPIJIU-KBAYOESNSA-N 444.391 2.486 30 10 IEEE Cc1c(Br)c(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1C 1629713844 SYGZFHSQTVNEGU-UHFFFAOYSA-N 442.321 2.493 30 10 IEEE CN(C)CC#CCNC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1631853311 STLQRVXPGPSILT-HXUWFJFHSA-N 437.544 2.231 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)s1 1632686421 XOXOOXGTYIIAOM-HNNXBMFYSA-N 428.576 2.478 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1 1633771552 ODRPNNKTXOFASK-WMZOPIPTSA-N 430.505 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1636201603 TZLHENPRNUHWHC-GVDBMIGSSA-N 444.598 2.188 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1636327957 RVINDPWDAZTLQU-JSGCOSHPSA-N 427.452 2.330 30 10 IEEE COc1ccc(C(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1CCCCCC1 1640486849 AMUGNKLZKODLJL-UHFFFAOYSA-N 435.546 2.310 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1660130381 VBTYIKQJKRUIQJ-UHFFFAOYSA-N 428.235 2.467 30 10 IEEE COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1660342548 HXYYUIFYKZGFKN-QZTJIDSGSA-N 443.500 2.114 30 10 IEEE CN(C)CCn1ccc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1667109327 CZWLTMXOYVSTHW-UHFFFAOYSA-N 433.520 2.061 30 10 IEEE CCOC(=O)c1c(NC(=O)N(C)[C@@H](CO)Cc2ccccc2)c(C#N)cn1CCOC 1668605532 GBGSQUHGMMTMSJ-GOSISDBHSA-N 428.489 2.250 30 10 IEEE CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1Cc1ccccc1 1681226246 DFWMUDMFPGYDBM-VAMGGRTRSA-N 427.549 2.314 30 10 IEEE Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)NCC#CCN(C)C)CC1 1685772255 FJEOQKBBZCURDH-UHFFFAOYSA-N 448.633 2.182 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1689845981 DZLKNOZSACUBGB-XMSQKQJNSA-N 433.560 2.142 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689983476 CDSAHUPDLVJGDI-UYAOXDASSA-N 442.541 2.273 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(C)(C)C(=O)NCC)CC1 1690119323 ALBWWIYSKUENTQ-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cncn2)CC1 1690132396 PIQISXLXDQMXSO-UHFFFAOYSA-N 448.575 2.202 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1690171247 XUSAOGDEQBCOAO-MRXNPFEDSA-N 438.557 2.266 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1690205958 CSWIZEYMYHICAJ-WOIUINJBSA-N 433.622 2.294 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690227657 DQGJTYYJEFUWRX-GARJFASQSA-N 438.248 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1690244213 UYOPZFZYTFJEKD-ZVDOUQERSA-N 441.580 2.263 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690271298 KLSGPSMUNTYZFI-OAQYLSRUSA-N 434.562 2.118 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690676422 ZISONWRENAMXKY-WOJBJXKFSA-N 438.576 2.449 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](CC)C2)cc1 1690679990 FROOPQVDLMJGBJ-OALUTQOASA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1690726436 AAENHIMLZIHDBG-OAQYLSRUSA-N 434.537 2.068 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1690742189 JMJMDPZCKNUGFY-GOSISDBHSA-N 440.573 2.111 30 10 IEEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1691484847 OYVIAPFHEWZIQC-HXUWFJFHSA-N 449.559 2.432 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1692449559 KUNRVQWURVKDOM-JLUOLNIDSA-N 428.537 2.323 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C)n(C)c1=O 1705630639 AYOWXYQDVGVNMU-UHFFFAOYSA-N 435.528 2.307 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H]2COCCO2)CC1 1705636439 KDNALBIKTFFPLR-KRWDZBQOSA-N 433.915 2.298 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(OC)CCC(C)CC2)CC1 1705652891 QVVODROEIMWBTK-UHFFFAOYSA-N 431.581 2.376 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOCc1ccccc1 1705668731 SEMKOFZOEFNBGA-DYESRHJHSA-N 431.562 2.097 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705771390 RJNIZIAHIYHPME-IAGOWNOFSA-N 431.562 2.478 30 10 IEEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC)CC1 1705784853 LXMLAEMFDGRWJF-UHFFFAOYSA-N 433.578 2.426 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1705844302 ZNCGSTRRIBJRFP-HZPDHXFCSA-N 448.568 2.123 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705900288 XVZWMIBKAKCQQF-UHFFFAOYSA-N 426.912 2.334 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(SC)CCOCC1 1709141975 LJJBAZBJZDKUFB-UHFFFAOYSA-N 427.578 2.346 30 10 IEEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1711263452 IGSZBWMTXHATLD-KRWDZBQOSA-N 433.507 2.380 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](OC)C(C)(C)C 1712648215 GCCNHUHALGPDDD-RNQOJCNYSA-N 446.596 2.240 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1712699284 BSNHLVPOANCWCZ-OAQYLSRUSA-N 429.546 2.258 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1722329951 MUVPKOFBORBNSS-LJQANCHMSA-N 447.543 2.364 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1722464236 YWKHLFSENOMNHG-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1 1722494961 TYDVTNIGBXTALU-WOJBJXKFSA-N 431.581 2.484 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722577339 DCPFRXHDIQATHA-GOSISDBHSA-N 429.546 2.083 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1722592319 WYIJSDVOAUKBCG-SFHVURJKSA-N 434.548 2.425 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1C 1722677836 GBLRYXDCSYFJCX-UHFFFAOYSA-N 431.504 2.311 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 1722694136 MFTZFTRAWJNPFD-UHFFFAOYSA-N 449.559 2.252 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1722702446 NYVLMJGCVNQYGZ-HXUWFJFHSA-N 435.532 2.489 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722728905 CIYMUXUVKCXAJN-GDBMZVCRSA-N 443.495 2.499 30 10 IEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1722741233 FGYFOMMFSPAEKS-HXUWFJFHSA-N 429.590 2.438 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1Cc1ccc(C#N)o1 1727137027 MBTXQHXLAOLQJX-UXHICEINSA-N 434.500 2.284 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1728641020 BNJRYUZGWORKLL-RTBURBONSA-N 449.559 2.226 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1728957843 BKQBSZURYBJPOX-QGZVFWFLSA-N 447.561 2.140 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1730700029 APXOHSBUWCMPGN-MRXNPFEDSA-N 436.438 2.358 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740574055 JLIYMFVJTRHJEK-QZTJIDSGSA-N 433.553 2.315 30 10 IEEE C#CCCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740597569 VUSZSXSGPIGALO-HSZRJFAPSA-N 444.580 2.070 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCOC1 1740634760 DUFCHRCHBPYPNO-XMMPIXPASA-N 432.480 2.341 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](COC)OC)CC1 1740693547 CDXWAODTUMOSJO-MRXNPFEDSA-N 448.365 2.124 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740794668 FYSQLYWQOSQQET-SFHVURJKSA-N 434.585 2.395 30 10 IEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740879948 QGQSIDKORHINMU-GOSISDBHSA-N 442.495 2.435 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1740957632 VFLLCNAWNQKFHJ-UHFFFAOYSA-N 434.548 2.370 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(=O)NCC)cc2)C1 1740976207 HNDVVPIMUAHVJY-LJQANCHMSA-N 433.516 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(N(C)C)CCSC2)C1 1740981939 RIMWRBMLNSXTLU-DENIHFKCSA-N 428.606 2.483 30 10 IEEE CC(C)CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1741532657 DQWMSRLJWFDVNH-APWZRJJASA-N 426.587 2.081 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)C1=O 1748046863 GELQYAUCHXSUOO-AUSIDOKSSA-N 438.532 2.212 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CS(C)(=O)=O)c1 1748684597 MQHYNNZALIDWFC-KRWDZBQOSA-N 440.573 2.191 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1748714257 WZGAYHAVMSCQPU-UHFFFAOYSA-N 447.543 2.180 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1748983638 WQMYLVYGAXMLSJ-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749113138 VROYFDKWGHDOJC-CVEARBPZSA-N 428.375 2.270 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749129296 BZTVBSAREIKQKR-OFNKIYASSA-N 446.640 2.448 30 10 IEEE COC[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749313820 CRHOSRNJNMJBQK-SFHVURJKSA-N 432.532 2.140 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749361171 OYMUSNLLOXXECN-XLIONFOSSA-N 442.539 2.491 30 10 IEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(N)=O)C1 1760146974 CMNCFMOQKHXBLJ-ZDUSSCGKSA-N 432.322 2.441 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760180747 KOPQQFHXGQJJCH-OKYOBFRVSA-N 438.594 2.065 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190273 VDJLCDUYXDKVCI-PXNSSMCTSA-N 438.557 2.109 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1760364836 DHUZYUDLFWBDBV-UHFFFAOYSA-N 434.953 2.291 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760426463 SMRHLLIYGNJMFM-LJQANCHMSA-N 440.596 2.168 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1760499065 NDGTVVADDMVWRI-UHFFFAOYSA-N 447.543 2.252 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1760512082 CSTFHLWAYPTUKP-UHFFFAOYSA-N 438.532 2.291 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)C)CC1 1760514834 GUEMNIKMWSBOHZ-UHFFFAOYSA-N 434.548 2.168 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1760525391 DHNNZERMEWPJNU-SFHVURJKSA-N 449.559 2.147 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@](=O)C(C)(C)C)C1 1760549419 DMCCXUNKMCTHFX-JJCDCTGGSA-N 434.610 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCc2c(ccnc2O)C1 1760553144 MLWCXJVSKGLYAY-UHFFFAOYSA-N 425.514 2.209 30 10 IEEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1762369151 HTDREKZNIQABEV-UHFFFAOYSA-N 443.515 2.403 30 10 IEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1764302592 FYPASKLAKBZIID-IBGZPJMESA-N 430.578 2.172 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1765437021 DEUMIZVUVDZCRH-NZQKXSOJSA-N 435.532 2.470 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCSCC 1766408672 IZIZMKMSHOHYBU-INIZCTEOSA-N 430.582 2.335 30 10 IEEE CCN1CCN(CCCCn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1767153191 KPIKQEFUCVUNFB-QHCPKHFHSA-N 440.571 2.124 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H]1C(F)(F)F 1770641501 ZDOAQJCHVPMCKX-LALPHHSUSA-N 443.451 2.328 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)C1 1771528391 AGLLQKQEWSJROH-QFIPXVFZSA-N 437.454 2.280 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccs3)CC2)CC1 1852614500 NLTPEJUVLXBTBX-IBGZPJMESA-N 428.558 2.240 30 10 IEEE C=CCN1C[C@@H](C(=O)OCC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1=O 1853011836 VSQZWSNHAIBVOM-INIZCTEOSA-N 440.949 2.318 30 10 IEEE CC[N+]1(C)CCC(N(CCCn2ncccc2=O)C(=O)c2ccccc2OCC#N)CC1 1853486849 ZFBCGXCFWODWJS-UHFFFAOYSA-N 438.552 2.307 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cn(C[C@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)s1 1853691920 UEKNANIBLJWTIC-OAHLLOKOSA-N 427.530 2.258 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](N3CCC(C(=O)N4CCC(C#N)CC4)CC3)C2=O)s1 1853730456 QJCVRGUNNSXANW-SFHVURJKSA-N 428.558 2.272 30 10 IEEE COCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N(CCC#N)c3ccccc3)ccc21 1854280631 TVEXLVGIHKQCTQ-UHFFFAOYSA-N 427.482 2.248 30 10 IEEE Cc1ccc(C(=O)N2C[C@@H](CN(C(C)C)[C@H]3CCS(=O)(=O)C3)CCC2=O)cc1C#N 1856664309 LJIRKEAYXHTSTB-XLIONFOSSA-N 431.558 2.143 30 10 IEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)n1 1858764367 BPBBMABZLRTSMQ-UHFFFAOYSA-N 441.396 2.178 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1C[C@@H]1CCCO1 1870668702 HCHMAFFACRFEJD-FQEVSTJZSA-N 434.533 2.160 30 10 IEEE C=CCn1cc(OCC(=O)Nc2c(CC)cccc2CC)c(=O)cc1CN1CC(O)C1 1870718353 NIJSISKPODPSAE-UHFFFAOYSA-N 425.529 2.353 30 10 IEEE C=CCOc1cn(CCN2CCOCC2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870809283 TYHAEWZSNSIABP-UHFFFAOYSA-N 429.517 2.375 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)CC1 1889405731 YNXHNRQCJDMVMW-UHFFFAOYSA-N 439.478 2.457 30 10 IEEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891317390 OVVLDKGTOCFEHI-UHFFFAOYSA-N 429.498 2.297 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](O)c1cc(I)nn1C 1899719288 XWAUGWUZMWFYOH-SJORKVTESA-N 427.286 2.419 30 10 IEEE CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](N=CN3CCCCCC3)[C@@H]2SC1(C)C 1903864089 NPGNOVNWUSPMDP-VYDXJSESSA-N 439.578 2.412 30 10 IEEE C=C(Br)CS(=O)(=O)N1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C 2006268035 VGVFZMNSSWWXFB-OLZOCXBDSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2010128343 ITCXJPDKLVHHJE-FAGJFJLWSA-N 440.541 2.108 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2010402992 YNEKSKXNBBGQRW-MRXNPFEDSA-N 425.379 2.382 30 10 IEEE C[C@@H](C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1)N1CC(NC(=O)OC(C)(C)C)C1 2068024075 ICISDFATNXMPIO-HNNXBMFYSA-N 435.374 2.374 30 10 IEEE Cn1cc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)n1 2124535732 XXPUCPBJVBNAMV-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE CC1(C)OB(c2cc(Cl)cc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247779534 VOSFQIBYFXXBQA-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE CC(C)(C=CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248441002 JYGLDXKJDGPZIG-UHFFFAOYSA-N 438.359 2.057 30 10 IEEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248442799 LIBVARMLJIWJLN-WCQYABFASA-N 443.350 2.310 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2250274616 YEMPASASJADSEL-OCCSQVGLSA-N 437.371 2.475 30 10 IEEE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255540807 SEMIMTGSRNFZCM-GOSISDBHSA-N 427.354 2.441 30 10 IEEE COC(=O)[C@@H](CCNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2255607412 YZJKXPLVBPUAKK-RBSFLKMASA-N 440.346 2.431 30 10 IEEE CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CN(C(=O)OC(C)(C)C)C1 2256018607 OXRFBGYLKVRNLO-UHFFFAOYSA-N 432.326 2.431 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256623115 AUCDGUYTDFYDAV-GJZGRUSLSA-N 438.330 2.279 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256725625 YNISTPLTDSKEDA-LKBUQDJMSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2259355130 KJJLXESOEYTPJO-GDBMZVCRSA-N 431.342 2.414 30 10 IEEE CC1(C)OB(c2ccc(F)c(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2266973367 FAMJUTSKMNNEOM-LJQANCHMSA-N 444.234 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267097385 NYVULPOWZIFFGR-JOCHJYFZSA-N 448.373 2.476 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)n1 2267179518 RCGVGKVDHVVPAK-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2267237508 QBBPNNKDFOYBQI-IBGZPJMESA-N 443.275 2.090 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267268899 APXPVXMYYBTAOE-SFHVURJKSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267587104 SYDLIXXQLATDPE-BPQIPLTHSA-N 443.353 2.366 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)OC1(C)C 2267879236 GFDHAAOBHYBMNC-KDURUIRLSA-N 434.349 2.265 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2268639081 XYFDTBAGICGXCC-UHFFFAOYSA-N 449.332 2.272 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2278709999 ONSSAIFZIULTTB-SFHVURJKSA-N 448.369 2.450 30 10 IEEE CCc1nn(C)c(C(=O)NCc2cnn(Cc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2281985026 JALDUUOJSGRIPS-UHFFFAOYSA-N 449.364 2.457 30 10 IEEE COc1cc(C=Nn2c(CCc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 2330185005 FIRPARZAYXIULR-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE COCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(O)c(O)c1 2331279476 DHCYLLVCTWAMRZ-UHFFFAOYSA-N 432.458 2.432 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 39915198 LHKVUNMPHRXIRN-INIZCTEOSA-N 440.518 2.426 30 10 IEEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 59892478 PMFMJPJJGTZPNJ-CIAFOILYSA-N 439.567 2.407 30 10 IEEE O=C(CCn1cnc2ccccc2c1=O)NCC#Cc1ccc(N2CCCCC2=O)cc1 96349197 OEVHHSYXUOKVIT-UHFFFAOYSA-N 428.492 2.471 30 10 IEEE CN1CC[C@]2(CCN(CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)C2)C1 429031605 VJBYHAHJWGUSNL-UUOWRZLLSA-N 425.577 2.384 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2CCCc3c2cccc3S(N)(=O)=O)cc1 440381956 RFTZKTYKDYUXGW-UHFFFAOYSA-N 442.541 2.432 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCC(OCc2ccccc2)CC1 464857681 LGMGZHCAFPTGMI-IBGZPJMESA-N 434.544 2.067 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2c(Br)cnn2C)c1=O 478759611 UEZMSGUOCQGCQU-UHFFFAOYSA-N 449.374 2.100 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC(=O)N2C(C)(C)C)cn1 480248390 DBJKVPIVCOEBLA-ICSRJNTNSA-N 446.515 2.258 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 482368417 WSIMLRBHRCDJHR-HNNXBMFYSA-N 443.525 2.497 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCCO3)CC1 513965124 UMNTYNUQTWGRJH-UHFFFAOYSA-N 426.498 2.422 30 10 IEEE C=CC[C@H]1N(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CCCC1(C)C 519026070 BYYPTOZHUZOEGS-LJQANCHMSA-N 433.574 2.436 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 522318149 SIQXEVVQOMUBSV-UHFFFAOYSA-N 449.555 2.377 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 522509051 JCRWFCNXJOLPFU-JKSUJKDBSA-N 431.464 2.473 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542002383 VFDQZPUACGUITF-UHFFFAOYSA-N 447.538 2.178 30 10 IEEE CS(=O)(=O)c1ccccc1CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 550188959 PATPJPZRQFCMKQ-KRWDZBQOSA-N 429.523 2.044 30 10 IEEE C=C[C@@H](CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 555521554 PJSQFGJLDHMUST-UXHICEINSA-N 435.572 2.309 30 10 IEEE COc1cc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)ccc1C#N 557535386 DHFSQXILOAXQHA-UHFFFAOYSA-N 427.404 2.337 30 10 IEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 558993823 KBAFVUFELZBZGF-HXUWFJFHSA-N 425.581 2.147 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 561398628 ZYVLFVNUKKOAIJ-MOPGFXCFSA-N 431.562 2.447 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(F)c(F)c2)CC1 565390718 OLFBPHNVJGTKRJ-CQSZACIVSA-N 440.520 2.069 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCCO2)n1 583369834 PZMSDEAPYRLGKR-LJQANCHMSA-N 430.516 2.421 30 10 IEEE Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)cc1 590535044 VUBPCHRWQAYBDW-UHFFFAOYSA-N 425.510 2.167 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ncccc1OCCCC#N 608883434 YKEXOVROQNBRCS-UHFFFAOYSA-N 444.513 2.346 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 610036026 FYNKKYGERUFUIP-FQEVSTJZSA-N 441.557 2.474 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 611198885 BWXCTWORQKAOHM-MRXNPFEDSA-N 431.500 2.020 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1Cc1ccon1 679925053 SKZQQVSUOHTJBU-UHFFFAOYSA-N 442.500 2.367 30 10 IEEE CN1CCC(CNc2ncc(B3OC(C)(C)C(C)(C)O3)c(OCC(F)(F)F)n2)CC1 725400168 BLCFZDIHUCPULZ-UHFFFAOYSA-N 430.280 2.471 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)c1 731870509 KHQFMCHKQSYQMO-UHFFFAOYSA-N 442.431 2.343 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(F)cc3F)c2=O)cn1 732561322 LWCLRHZZFDLWLR-UHFFFAOYSA-N 440.475 2.266 30 10 IEEE COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)cc1 732649698 OKLJFCAVPQBNCW-JOCHJYFZSA-N 432.524 2.366 30 10 IEEE Cc1nnc(Sc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c(C)c2)s1 737198830 PBWHURFVSSXUML-HNNXBMFYSA-N 442.570 2.443 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)N[C@H](c1ccccc1)c1cccs1 741339287 DGHKTIJWRDPPPY-VWKSNAFDSA-N 439.493 2.413 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1C)c1ccc(C#N)cc1 745209458 ALYVMQVWLQNJPO-LJQANCHMSA-N 428.466 2.478 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C(N)=O)cn2C)n(-c2ccc(F)cc2)c1C 756682694 IEAXAMRXVUACHC-UHFFFAOYSA-N 437.431 2.338 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 758634762 HXFCMZMLEAMJOB-PMACEKPBSA-N 446.596 2.339 30 10 IEEE Cc1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c(=O)[nH]c1C 770681559 UJLWXERFXOLJTJ-JJIBRWJFSA-N 431.518 2.232 30 10 IEEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 779735023 GKIPNZLXVNKDAW-QHCPKHFHSA-N 444.532 2.182 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O 785651814 GXNPGNIHEWYBSS-IXLFNIDHSA-N 446.592 2.182 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)CCCC1 786294919 DWHJSNVYPATOEN-QGZVFWFLSA-N 443.548 2.354 30 10 IEEE COc1cc(Br)ccc1[C@H](C)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 786758734 OABSEQYXZMTGSQ-WHBPPDGWSA-N 437.294 2.344 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n1 789151625 WBTBGGHMRAIEDA-INIZCTEOSA-N 447.898 2.272 30 10 IEEE N#Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)ccn1 795967184 UIEVSGHFBAJXDS-QGZVFWFLSA-N 433.468 2.480 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 797161676 IBLUIARAXMYPOX-INIZCTEOSA-N 437.493 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 802327242 YSWSXSSUAWVRCB-WUKBZCGHSA-N 432.521 2.153 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812428854 BDKLBLYICMTMGP-FUHWJXTLSA-N 440.525 2.355 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)c1cscc1C#N 814613384 MERPJVISLLQHOP-UHFFFAOYSA-N 433.511 2.006 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)CC1 816290799 QAWQVFXFOIUXGR-GZTJUZNOSA-N 438.509 2.297 30 10 IEEE Cc1cc(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc(C)c1C#N 1124979792 RTHDMYMBPCIOAH-UHFFFAOYSA-N 442.497 2.449 30 10 IEEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)OCC 1131433439 OMDTYHADNODKCB-SFHVURJKSA-N 438.569 2.175 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 1136036105 GUJCWXLPHFYGKQ-UHFFFAOYSA-N 427.486 2.181 30 10 IEEE CCN(CC)C(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1136830366 XYZQZCOVNPDPLI-FRIYVGAWSA-N 447.580 2.379 30 10 IEEE CN1CCn2c(CCNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)nnc2C1=O 1153939691 OXGLQKGLDJKKLA-UHFFFAOYSA-N 430.468 2.195 30 10 IEEE C#C[C@H](NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)c1ccc(Br)cc1 1159634526 MXWYBYROYXTHPJ-LBPRGKRZSA-N 426.292 2.216 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1160793692 BCVONOOITAFJGO-OAQYLSRUSA-N 426.477 2.230 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](NC4CCOCC4)C3)ccc2c1=O 1161769381 MBRROGJASFGVNR-QGZVFWFLSA-N 428.558 2.244 30 10 IEEE COc1ccc(S(=O)(=O)NCCC(=O)N(O)Cc2ccccc2Cl)cc1OC 1161801888 FJHYMBWOYRVBRC-UHFFFAOYSA-N 428.894 2.444 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)c1cccc(C#CCO)c1)OC2=O 1178246065 VURVCWCRLRDXNM-IBGZPJMESA-N 442.512 2.093 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 1181122366 XBVBERYUKJUIDD-ZWKOTPCHSA-N 425.489 2.210 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(OCC(C)C)C3)nnc12 1182886568 GNERDUPSUBLLOZ-UHFFFAOYSA-N 427.530 2.206 30 10 IEEE CN(C)C(=O)c1ccnc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1 1183054086 FBVGGKZBYCRHDG-UHFFFAOYSA-N 428.290 2.492 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3ccncc3C#N)CC2)cc1 1189711211 NAOLGXDSBNZYBZ-MRXNPFEDSA-N 430.555 2.275 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1221808207 QLNPSLAJVLXHAD-CHWSQXEVSA-N 436.358 2.345 30 10 IEEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1225051518 JXMWXTGROIGXIQ-HXUWFJFHSA-N 434.562 2.091 30 10 IEEE C#CCN(C(=O)NCCNC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1256282008 VTDDIORAEXVPKK-NRFANRHFSA-N 425.554 2.198 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)C2CC2)n1 1278743650 OSVKKTGYCUXLRG-HNNXBMFYSA-N 427.505 2.225 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1286269283 DMCXKRJHDPMDSM-CQSZACIVSA-N 429.908 2.445 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1286364014 WSYFUNZTNZYQQQ-DEOSSOPVSA-N 445.608 2.282 30 10 IEEE C#CCN(c1nnc(C)n1CCc1c[nH]c2c(CC)cccc12)[C@H]1CCS(=O)(=O)C1 1286383781 NYGGAIQHTVWGRA-IBGZPJMESA-N 425.558 2.500 30 10 IEEE C=C(Br)Cn1c(N(C)CCn2cccn2)nnc1[C@]1(OCC)CCOC1 1286546760 FCSINGYTTCBETM-KRWDZBQOSA-N 425.331 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC1CC1 1286553416 DPUWJUJGMPTDBP-QRVBRYPASA-N 438.594 2.024 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1286561786 OWMPJDGMFAMYGC-FXAWDEMLSA-N 440.548 2.396 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1286619315 ABWLGMDAQCCDMV-AUUYWEPGSA-N 437.953 2.277 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1cccc(C#N)c1Br 1287669603 UCEVSOCTPSYYQX-UHFFFAOYSA-N 446.257 2.484 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3sccc3C2)n1Cc1ccc(C#N)o1 1288836491 SQXSOFHVEYDFNH-LBPRGKRZSA-N 432.531 2.025 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CCC(C)C)n2C[C@@]2(O)CCN(C)C2)cs1 1290404716 KWMDGUSCMJDGLP-OAQYLSRUSA-N 431.610 2.467 30 10 IEEE C#CCN(CC(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1)C(=O)OC(C)(C)C 1292206751 UAHXVEWZMZCRHN-UHFFFAOYSA-N 441.488 2.339 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CC(=O)N(CCOc4ccccc4)C3)n[nH]2)c1C 1293900562 QQJIIHWZGCIBFL-SFHVURJKSA-N 448.527 2.486 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1296390451 AFFINKZNZSAJKC-FOIQADDNSA-N 430.488 2.338 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1297800615 CRCACJYIFFZRAX-ROUUACIJSA-N 444.557 2.166 30 10 IEEE Cn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCOCC(F)F)c2ccccc2c1=O 1298902510 CPLRZEZVSVWCJK-UHFFFAOYSA-N 443.458 2.214 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2C[C@H](F)C2)c1 1300333155 XNYIXMFFTKGQFO-ZHALLVOQSA-N 438.507 2.424 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1300499553 UQIDBGSIWDDBFN-IEBWSBKVSA-N 445.614 2.034 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300501670 MXBSJELDULIIDR-GOSISDBHSA-N 445.564 2.111 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccco1 1300658419 DQJOEQQUTQKUAR-OPAMFIHVSA-N 439.472 2.095 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2csc([C@@H](C)OC)n2)CC1 1300697613 FKKZLDPYAYTLKD-SJLPKXTDSA-N 430.578 2.487 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1300732885 QNPPGAXQSQUXDZ-SFHVURJKSA-N 446.621 2.154 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC[C@@H]1C 1300836944 BADNFPAIPVTPBE-JXFKEZNVSA-N 438.532 2.116 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300863167 JVRXMZVJROTVHK-UONOGXRCSA-N 425.331 2.079 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C 1300896064 XRIBVFZOMRGGJR-BBWFWOEESA-N 425.599 2.027 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301041614 MSWGKYGXRCAJRS-QGZVFWFLSA-N 430.940 2.350 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301170514 YTPWAQWMOKVNLA-UHFFFAOYSA-N 426.521 2.426 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 1301242265 NBWPHDQKZWIQPN-GOSISDBHSA-N 437.562 2.267 30 10 IEEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1301397422 VGTZBEDKZOZSGO-UHFFFAOYSA-N 449.602 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1301578799 JDECPZRWXVZQHI-LJQANCHMSA-N 444.605 2.253 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NOc3cccc(C#N)c3)CC2)c1 1302371036 AOKBRXLCAGARAJ-UHFFFAOYSA-N 427.482 2.272 30 10 IEEE CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@](C)(C#N)C1 1304192901 JXNRELUSYPBAFI-CRAIPNDOSA-N 440.363 2.442 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](C)N1CC(F)(F)F 1308134262 DFINWVRIVDRCKL-BBWFWOEESA-N 443.539 2.414 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2cccc(OCC(=O)NC)c2)c(C#N)cn1CC 1310892456 CJMLREJPYQBPMW-UHFFFAOYSA-N 427.461 2.003 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2nc3cc(S(=O)(=O)CC)ccc3o2)c1 1311327933 NCIIHFLJSLYHOK-UHFFFAOYSA-N 426.454 2.363 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CC2)nc1 1311846798 HBBIJTJHNJOTNB-UHFFFAOYSA-N 433.491 2.465 30 10 IEEE CCN(CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1313813000 ATQZCMNYZPLVSC-FQEVSTJZSA-N 438.580 2.106 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964379 YGDPVRLYWCKNOT-UXHICEINSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H](C)C1 1358989247 VCLAVWLIMWVDRF-FQEVSTJZSA-N 443.559 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCN(C(C)=O)C1 1358989498 DZRZVFCZVBWWKC-LJQANCHMSA-N 433.512 2.395 30 10 IEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1359167541 KDJLJWOMSLBGEH-OAQYLSRUSA-N 426.613 2.322 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359181521 VOUVREVFDXHFBZ-QFIPXVFZSA-N 446.573 2.118 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1359298067 LJCQQAMFYGOGQK-HNNXBMFYSA-N 439.486 2.286 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1nc(O)c2sccc2n1 1359327321 YQAKRDKRFKSXBY-UHFFFAOYSA-N 436.563 2.349 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(-n2cccn2)cc1 1359476933 NYAVCHCGRRKMGM-SFHVURJKSA-N 432.532 2.425 30 10 IEEE C[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1C(=O)OC(C)(C)C 1451894327 ZWVGKTZCXQAJNU-RDTXWAMCSA-N 435.546 2.084 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(Br)cc1C#N 1458453803 KJZBDKPNVZSFDO-UHFFFAOYSA-N 440.279 2.039 30 10 IEEE O=C1NC[C@@H](Cn2cc(C(=O)OCc3c(F)c(F)c(C(F)(F)F)c(F)c3F)nn2)O1 1458981700 OQNLGLFIMSHSLA-YFKPBYRVSA-N 442.247 2.319 30 10 IEEE O=C(c1cccc(C#CCO)c1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1464707165 MVNQZYXMEULAQB-UHFFFAOYSA-N 438.958 2.282 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@]3(C)C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1468578627 JFYFMMYNRFLYJN-BTYIYWSLSA-N 449.577 2.434 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)c2ccc(F)c3ccccc23)cc1 1471363794 ZQUBVHKIQWXXTC-UHFFFAOYSA-N 425.441 2.128 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCCN(CCC(=O)OC)C1=O 1472962055 HOQFTUILXDNVBL-KRWDZBQOSA-N 435.594 2.139 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478902053 PJJULNIELYUHPX-GHTZIAJQSA-N 441.576 2.095 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1COCCO1 1503461976 KLVGFAQUGPQMDE-LJQANCHMSA-N 447.499 2.239 30 10 IEEE COCC[C@@](C)(O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1504761096 DBOIMPFUIVALAD-FGZHOGPDSA-N 435.569 2.236 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OC(F)F 1504998145 HNCCDCPCHNSLOP-GDBMZVCRSA-N 437.447 2.381 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCC(F)F)CCO1 1505322398 NCRIZGFVMXFDRV-RHSMWYFYSA-N 435.431 2.191 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1507610995 KSWGNTNIXMOCSJ-MRXNPFEDSA-N 428.541 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCSCC1 1507643118 HLFFTFHWZQGXHI-UHFFFAOYSA-N 447.406 2.168 30 10 IEEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1507693558 CQDWTQYOCYJGHW-QURGRASLSA-N 434.500 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCN1CC 1507713335 GKPKTCHJFYRODU-NRFANRHFSA-N 435.576 2.477 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCOC2)CC1 1507732210 JYUXVFOSXWKWEP-IBGZPJMESA-N 425.533 2.048 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1 1507770223 IOVSVTPFYYLPCC-XMMPIXPASA-N 442.608 2.282 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508084286 LHTXPRCHCZOYHH-OCCSQVGLSA-N 429.468 2.389 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CC#N 1513767910 IEZCNEGALCTUHF-MPGHIAIKSA-N 431.541 2.093 30 10 IEEE CCN(C)C(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1515322767 CJTQQFBVGQUIOZ-UHFFFAOYSA-N 425.512 2.361 30 10 IEEE CCS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516842254 QZOVUHOVDOVCHY-UXHICEINSA-N 442.589 2.304 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)ccc1OC 1525143651 JCXRPKMQNJTMCA-OAHLLOKOSA-N 431.514 2.309 30 10 IEEE Cc1ccc(C#N)cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1534247825 ALPCXYHXQLMMSM-UHFFFAOYSA-N 428.514 2.206 30 10 IEEE Cc1cc(C)c(C#N)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1538725889 DGAKRAVSBBEPSW-UHFFFAOYSA-N 428.514 2.162 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540040441 TYNZIHCXQVOFAO-MRXNPFEDSA-N 428.459 2.500 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540874207 YDNGZNAZYHJCKR-UHFFFAOYSA-N 442.524 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CO)CC1 1540901177 VQFKIWOBZNDCMB-UHFFFAOYSA-N 443.573 2.246 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H](C)N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2C#N)C1 1540918755 UNUBDDFTVCDAGB-DFBGVHRSSA-N 428.514 2.027 30 10 IEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1540920209 RBRIZGLQLXZQIA-HNNXBMFYSA-N 432.525 2.129 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1541103778 GLRCKLNCJWGKDC-MRXNPFEDSA-N 448.535 2.082 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1541726017 RZPWBUCRTHUDML-JPYJTQIMSA-N 444.580 2.363 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC[C@H]2C)CCOC1 1541733609 SNVMNPCEWLMJBZ-ZRCGQRJVSA-N 446.596 2.312 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)cc1C 1542483075 KNJSOTYGJICOOI-IBGZPJMESA-N 431.562 2.318 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(C)C)n1 1543065025 FFODFJPPSXJSDI-FQEVSTJZSA-N 426.569 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1543172076 XZYBGRWOMPQILT-CQSZACIVSA-N 439.509 2.500 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)NCc3ccccc3)C2)C1 1543790282 LSFUVDVROZRFFZ-FRIYVGAWSA-N 426.517 2.206 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1544587877 QNKMOXFUZWRDON-HSZRJFAPSA-N 430.549 2.210 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCC(=O)N1 1545943066 RDNILWXFSVTGPM-RLLQIKCJSA-N 449.559 2.219 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)OC 1555248969 JPAPQLCWBZBMFI-VQTJNVASSA-N 440.548 2.219 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc2c(s1)CCCC2 1555556359 AAEHJEBBTAYHBJ-MRXNPFEDSA-N 443.577 2.174 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1555559370 SXZCWINAYYPDOK-OFNKIYASSA-N 440.548 2.359 30 10 IEEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1557596449 KFURIVFEMXUKGV-UHFFFAOYSA-N 442.541 2.427 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3c4ccccc4OC[C@H]3CO)CC2=O)cc1Cl 1558747152 XMYWXICKTPFKNT-PDSXEYIOSA-N 425.872 2.423 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](c2ccc(F)cc2F)c2nccn2C)n1 1565450684 MPWUTCAIMLUTQX-FQEVSTJZSA-N 442.470 2.476 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1583695740 NMQMARXRUPUEKX-FQEVSTJZSA-N 430.574 2.433 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1587667774 MKIBFRLMEJXQMZ-KGNHYALCSA-N 448.527 2.458 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCCC)c1 1587921838 KMJKSVUILWZVEW-QHCPKHFHSA-N 425.533 2.188 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588039708 CMGHJBBFRQAVGT-GCJKJVERSA-N 444.557 2.150 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588041261 WACIBBOEAILRAO-DENIHFKCSA-N 439.541 2.013 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041356 WPLYMAYYCHHOGU-RTBURBONSA-N 447.605 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)C(C)(C)C 1588159350 UDWJGJCLRWHEAK-UHFFFAOYSA-N 428.558 2.186 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCOC1 1588594763 KFNYIZHBBZKWTM-ZHRRBRCNSA-N 430.574 2.369 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1588800307 DBDJVWXJHWAKOZ-UHFFFAOYSA-N 433.560 2.420 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnccn1 1589382882 OQXYMPQMNIVUAZ-UHFFFAOYSA-N 432.282 2.341 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589483732 QHDJMDFHBXVAOZ-GIMINZRKSA-N 430.553 2.197 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCOCC1 1595259899 DMLYEOPOMFOZGV-GOSISDBHSA-N 429.521 2.240 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1596101976 HHGUZINENRMQDU-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1613001658 KKLMYIYZVGVGNP-CQSZACIVSA-N 427.486 2.087 30 10 IEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)OC 1613619081 DXKJMGIOVDBPEE-WIYYLYMNSA-N 429.546 2.257 30 10 IEEE CCOC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1616061852 QRBMMDYUSSKIOH-SJLPKXTDSA-N 440.552 2.321 30 10 IEEE N#Cc1cccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)c1 1616415367 FPNBNMHDXIYMRC-SFHVURJKSA-N 445.260 2.405 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1cccc(C)n1 1616913651 HHJGVBOHCQADNB-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(F)c1 1616922532 CWGQYPVETCIINP-INIZCTEOSA-N 436.495 2.379 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1619006924 KAKLEJNOBBZNJR-NZQKXSOJSA-N 441.532 2.395 30 10 IEEE COCCOCCn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620080854 LBKCANKEUYVLJG-UHFFFAOYSA-N 440.529 2.128 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(NC(=O)OC(C)(C)C)CCOCC3)CC2)o1 1629479148 ZASXWYOVRJPZDY-UHFFFAOYSA-N 447.536 2.261 30 10 IEEE CSC[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1630762314 PCVFWOIDVPKSPT-CEXWTWQISA-N 426.542 2.088 30 10 IEEE N#Cc1cccc(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1Br 1631781471 IFFOLZGWIAXCHN-UHFFFAOYSA-N 429.274 2.498 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1632064194 BMSNNWPSJWSJOL-INIZCTEOSA-N 429.514 2.339 30 10 IEEE CCOc1ccc(Br)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1F 1632879966 BHOLBWNSWRUNRG-ICFOKQHNSA-N 426.242 2.243 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1633853760 RWKSUGZKXQPCGR-CYBMUJFWSA-N 435.905 2.125 30 10 IEEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)c1ccc(Cl)cc1F 1635191969 SNCIURMMDRQPIP-OOVXXXAESA-N 430.910 2.059 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncc(Br)s2)s1 1636329675 OGXMLGLEQPRACO-UHFFFAOYSA-N 436.378 2.290 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1)C(=O)OC 1637697065 MSXBMEUDEOUJKA-HXUWFJFHSA-N 440.463 2.231 30 10 IEEE C=CCCN(OCc1ccccc1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1638664262 HWMLIDJKHPAXFH-UHFFFAOYSA-N 437.500 2.257 30 10 IEEE C=CCNC(=O)NC(=O)Cn1nnc(-c2ccc(Br)cc2C(F)(F)F)n1 1643941199 POLKZSNCAZIFHS-UHFFFAOYSA-N 433.188 2.133 30 10 IEEE C[C@@H](CN(C)CCCN(C)C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1645259927 RKXVAEHHGUYNFX-HNNXBMFYSA-N 436.398 2.145 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC4(CC3)C[C@H](O)CNC4=O)c2C#N)C1 1648506869 YPDXTRIJIAOWEY-GJZGRUSLSA-N 430.574 2.036 30 10 IEEE CCS(=O)(=O)c1cc(Cl)cc(CNS(=O)(=O)c2ccc(C#N)cc2OC)c1 1664467568 BOYBHGSZYZMHOX-UHFFFAOYSA-N 428.919 2.492 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CCOCC1 1666221432 FCYKMOZMFRUNAY-UHFFFAOYSA-N 448.994 2.221 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1 1667321980 KNHNOCVHRJZKME-KVSKMBFKSA-N 425.551 2.181 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](COC)C1 1689915023 NPMXKICMBRSOGM-KRWDZBQOSA-N 430.578 2.433 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCC(F)F 1689949753 QLEIDAPADVUJNL-UHFFFAOYSA-N 430.228 2.297 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689993862 MTSXONDMKRENPZ-PKOBYXMFSA-N 449.646 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)[C@H](C)CC 1690006642 VYLZBYYJQYXSPB-VGOFRKELSA-N 428.558 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ccc(F)cc1 1690033032 OSKZGWCSAOKGMI-DLBZAZTESA-N 431.537 2.294 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)cc1 1690102081 CCBVNSIXVGLVCM-QFIPXVFZSA-N 439.560 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C)c2)CC1 1690137724 HIONSMJWKNBFEX-IBGZPJMESA-N 439.560 2.325 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1690424569 SHUPXTYCIIHPMF-GOSISDBHSA-N 427.505 2.227 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690483893 YKDUZDUQZNUWQM-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690497259 LJFXIUWYGXADIZ-MSOLQXFVSA-N 426.521 2.381 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC)C1 1690499851 CHGJAZMDEXJSSO-HNNXBMFYSA-N 440.342 2.480 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1690515498 NXOOMXLIZVBSIK-CYBMUJFWSA-N 427.958 2.415 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1)C1CC1 1690545188 LNFRZVYNTWVWMP-MRXNPFEDSA-N 429.546 2.364 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690731756 QGHDKUVNDBHYGS-GOSISDBHSA-N 444.609 2.483 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1696580177 OBMTURICXBHKHY-UHFFFAOYSA-N 425.537 2.036 30 10 IEEE COc1ccc(COCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1697466446 WUXSXKRKQKZTGS-UYAOXDASSA-N 427.505 2.126 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705562414 BPAHJDDLCDXFEQ-MRXNPFEDSA-N 444.557 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705564867 RLOFOKACKMWUBD-FCGDIQPGSA-N 443.573 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCOCC1 1705585544 HERXICSAMXJZNF-HSZRJFAPSA-N 446.555 2.158 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1705716178 BOSHGIGTDFEEEH-OAHLLOKOSA-N 433.525 2.059 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705753798 JMGKHZLVPTUASJ-YESZJQIVSA-N 425.961 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705898359 JHBJYCKKDYNLLZ-BEFAXECRSA-N 429.521 2.126 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2Cc2ccc(C#N)o2)n1 1707834052 LEJLIDNAUICPCH-FQEVSTJZSA-N 439.520 2.283 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710269938 GHDMGLHFBWERGL-DYESRHJHSA-N 431.585 2.398 30 10 IEEE CCOCCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1710791281 RXRFJRNJLWXNIE-GOSISDBHSA-N 430.553 2.116 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC[C@](F)(C#N)C2)C1 1711273920 KADWIYZOOFAMBC-RBUKOAKNSA-N 449.328 2.216 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1722361056 KTQJHWBYFQYRFV-KRWDZBQOSA-N 443.479 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1722390398 CGPXOEQGSWEQPD-NZQKXSOJSA-N 442.560 2.325 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCCC1 1722392836 MNKCRUUODXKCSM-UHFFFAOYSA-N 443.559 2.258 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1nncn1C 1722453185 PATAWZMFUHQBBY-MRXNPFEDSA-N 430.582 2.033 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722609010 PURYWDFSIFFYLC-SFHVURJKSA-N 436.520 2.302 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1723785899 KPWPMVKZNCNFJK-HFXUHXBXSA-N 438.532 2.245 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1727650838 AOEATTDEXIVBDL-MRXNPFEDSA-N 438.442 2.307 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCSC1 1729369276 HMNFMUBBKAMZGI-QGZVFWFLSA-N 426.546 2.197 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnn(C)n1 1729398442 CZTOCOOJJBQXAG-IEBWSBKVSA-N 435.536 2.277 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(C)(=O)=O 1740541976 LPBABOREDNERBF-CYBMUJFWSA-N 425.942 2.004 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)C1(OC)CCOCC1 1740556203 BRSYWXQIUVXTAH-INIZCTEOSA-N 436.507 2.429 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F 1740635743 YSZJDISNLFNXFY-UHFFFAOYSA-N 436.260 2.162 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC 1740768100 FHFITFOKTIAKSW-UHFFFAOYSA-N 445.387 2.377 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1740770182 JWCBSDOUFSNYKN-UHFFFAOYSA-N 437.552 2.486 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740865807 VUDWKFQQDUEKJC-IBGZPJMESA-N 449.621 2.375 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1748122742 MCBMSDACXNUKBP-OAHLLOKOSA-N 433.472 2.060 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1748344356 DTWIADUIZGRONQ-WJOKGBTCSA-N 442.545 2.006 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1748686185 KGTJNBYXHIDXDJ-LBNMDVIHSA-N 448.527 2.404 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1748717479 ASXVYZSXQIOHFM-UXHICEINSA-N 433.622 2.296 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1748802395 PEJIJLOXOICWBW-LJQANCHMSA-N 430.574 2.397 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2sc(C)nc2C)CC1 1749014091 DNTVAXUONAYHCO-SFHVURJKSA-N 442.589 2.064 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1749368579 MRPLQISZBFOEGO-QGZVFWFLSA-N 437.610 2.087 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccn(CC)c1=O 1749591544 UPVJGSYAMHBSTQ-IBGZPJMESA-N 436.516 2.287 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C)CC1 1749730800 QZPHNVKPEURYDW-HNNXBMFYSA-N 435.550 2.233 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)O 1749832464 JCDIMDQNLLZEFI-IYBDPMFKSA-N 436.557 2.186 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)CCO1 1750387770 ALUSYQXWBFTZSL-QGZVFWFLSA-N 444.561 2.348 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1751092782 BXCJAUQTPBCOPI-AWEZNQCLSA-N 448.549 2.102 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)[C@@H]1C 1752249393 IBXIYCSQVPUJGU-JFIYKMOQSA-N 429.546 2.398 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1760097596 HQJKVTBDSDYXCU-QZTJIDSGSA-N 445.589 2.095 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760182044 AYIDTFWVPRBIJD-SJLPKXTDSA-N 441.557 2.268 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)C1CCC1 1760290366 CZQJVLOKKSJPPE-PKTZIBPZSA-N 429.565 2.229 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOCC)C1 1760313551 OISZLJVYOOJBEG-UFYCRDLUSA-N 447.580 2.127 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC2CCOCC2)CC1 1760389007 ADTRNALTMCPAJF-LJQANCHMSA-N 438.594 2.170 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760502985 UHKLXCNBYUATEU-HDICACEKSA-N 431.585 2.205 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)cc1 1760523463 YVXSBHAASJQDQO-UHFFFAOYSA-N 444.337 2.380 30 10 IEEE CC(C)COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1761139082 ANCGCZMRKLRNAG-HXUWFJFHSA-N 438.532 2.212 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1761819778 FHXAJJZOEOFYHF-ROUUACIJSA-N 446.577 2.043 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)CN2CCOCC2)n1 1762433304 FWNNERRWBWJZHD-GOSISDBHSA-N 440.596 2.238 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CC 1766089643 HLOKNUMNDGNTAL-MOPGFXCFSA-N 440.548 2.469 30 10 IEEE COC[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)OC 1769246260 GJBKDHIKSHSHFR-IVZQSRNASA-N 437.504 2.385 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC[C@@H]2OC)cc1OC 1770042595 BYMJZBXGGKEZMO-BPXKWBHBSA-N 445.495 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](COC)C1 1772660210 LRKQFJCJDRABMR-SFHVURJKSA-N 429.546 2.280 30 10 IEEE N#Cc1ccc(C(=O)N(CCCN2CCCC2=O)S(=O)(=O)c2ccccc2Cl)nc1 1851446450 KKZPCPDXKICZNK-UHFFFAOYSA-N 446.916 2.450 30 10 IEEE CN(C)C(=O)[C@H]1C[C@@H](OC(=O)c2cnc3c(c2)c(C#N)cn3C)CN1C(=O)OC(C)(C)C 1852150972 UKSUQVXNEIWOOQ-NVXWUHKLSA-N 441.488 2.068 30 10 IEEE C=CCN([C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)C1=O)[C@@H]1CCN(C)C1=O 1854207697 MGUWIZWFPZLUGY-MSOLQXFVSA-N 426.904 2.348 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1S(=O)(=O)c1ccccc1 1855155278 OVIZNADBVNWINT-CQSZACIVSA-N 431.901 2.468 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2csc3c2CCOC3)CCN1CCOc1ccc(C#N)cc1 1855944854 VWILKTLLAKYWJC-HNNXBMFYSA-N 425.510 2.444 30 10 IEEE Cc1cccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccccc4C#N)C3)CC2)c1 1858421875 GZXBHUANGGNNRS-FQEVSTJZSA-N 438.553 2.226 30 10 IEEE CCNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2C#N)cc1 1859001028 ZLVVZDJXNFUVJX-UHFFFAOYSA-N 431.543 2.095 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862629751 CSKXUCIHHZJTDU-ZMZPIMSZSA-N 426.381 2.283 30 10 IEEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NS(=O)(=O)c1ccc(Br)cc1 1870098674 QABWOKBORPBEDS-UHFFFAOYSA-N 448.258 2.431 30 10 IEEE CCn1cc(C(=O)NCCC(=O)Nc2ccccc2C#N)c(=O)c2cc3c(cc21)OCO3 1873866964 PDDIMZRFOPBXFZ-UHFFFAOYSA-N 432.436 2.380 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccs1 1874435937 FDVYBPHEGDZSPU-SSDVNMTOSA-N 428.543 2.266 30 10 IEEE N#Cc1ccc(NC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 1891164212 WWTWDKWIYWNBJT-UHFFFAOYSA-N 425.456 2.436 30 10 IEEE C#CCOCC[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892261628 XMXUUHIWZCYXTH-BGOLNKOXSA-N 441.505 2.377 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 2010227984 WBGYMDSXCKGWNE-HYBUGGRVSA-N 429.561 2.389 30 10 IEEE C[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2060636763 BFXLTIKTHGBLQW-UKRRQHHQSA-N 432.330 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2106598864 BNQHSARUXRPYFT-GOSISDBHSA-N 446.353 2.492 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124535295 LTUYPCZPIOWXCL-GOSISDBHSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666404 XNPPVUBSVRYILM-GDBMZVCRSA-N 447.341 2.249 30 10 IEEE CCc1nn(C)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 2194933343 XRRGCFZYEMTFBG-JSGCOSHPSA-N 441.374 2.190 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2235733209 ZTKFGFRMQKMHEU-KURKYZTESA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)NOCCCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248419934 KOPKILIWULKQPX-UHFFFAOYSA-N 441.359 2.295 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)n1 2256401968 JJZBQQHQSPCKKM-KTKRTIGZSA-N 431.342 2.500 30 10 IEEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256618417 QCKOHOKAXJLMEC-CZUORRHYSA-N 435.330 2.248 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267009080 JMZDJBSLYTWYNI-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE Cn1ncc(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267015282 LVACZRYPNCKEDF-LJQANCHMSA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)Nc1cncc(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)c1 2267089932 IPQMNDSAGYTYOD-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267226441 ZGFMMJBRIVMSGS-RYQLBKOJSA-N 443.353 2.366 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2267486045 KDXOXKNFUYJZGF-RTWAWAEBSA-N 438.333 2.485 30 10 IEEE Cn1cc(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267502046 HZTFFKGVXDPQLL-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)n1 2267504876 ZKBMHRHIRJOVIW-SHTZXODSSA-N 448.373 2.285 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268647298 YHKGXZOUPHCWBF-KSSFIOAISA-N 446.353 2.102 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268700024 IUMZFODUMKVGCB-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269004749 DDOUJKRFSPMNFG-UHFFFAOYSA-N 449.332 2.346 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2281974177 WKTJHVWQMFWHRQ-IBGZPJMESA-N 449.364 2.052 30 10 IEEE CCOc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1 2318584401 APNPSVMNDDYDSM-RBBKRZOGSA-N 435.524 2.334 30 10 IEEE Cc1nc(C(=O)N[C@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2320447085 YNRUZTKWGZRILN-QGZVFWFLSA-N 446.378 2.448 30 10 IEEE Cc1nn(Cc2ncc(I)cn2)c(C)c1B1OC(C)(C)C(C)(C)O1 2327888849 ATQRBNJWKOALDV-UHFFFAOYSA-N 440.094 2.242 30 10 IEEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 2329045403 HWDDMJFNYQFPMA-MRXNPFEDSA-N 447.561 2.376 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccs1 2330794229 FDVYBPHEGDZSPU-UHFFFAOYSA-N 428.543 2.266 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]12 2331228923 FZZXHDYYRIOUBM-UGUYLWEFSA-N 444.341 2.264 30 10 IEEE CC1(C)CC(=O)C(=CN2CCNC(=O)[C@@H]2CC(=O)OCCCc2ccccc2)C(=O)C1 10120768 JXYISPFLWMNMOG-IBGZPJMESA-N 426.513 2.195 30 10 IEEE C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925034 QKHGMQCGNPGBAU-INIZCTEOSA-N 446.960 2.223 30 10 IEEE Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1N=Cc1ccc(O)c(O)c1 254624133 OTQSDBCOMHJBFH-CQSZACIVSA-N 446.467 2.369 30 10 IEEE CC(C)(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409514735 RIPJZUZZQJXBEX-WBAXXEDZSA-N 444.960 2.452 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 410138340 RDPHYXYZKNYODQ-GOSISDBHSA-N 440.953 2.195 30 10 IEEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc21 430075729 IFMWOEDZUOUIED-HSZRJFAPSA-N 430.468 2.153 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)CCc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 431247259 NJYLOEKGEBKFRJ-JOCHJYFZSA-N 428.510 2.489 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 443546951 BRRILNFHSZEIIO-UHFFFAOYSA-N 448.523 2.326 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc3c(n2)CCCC3)CC1 446738774 MCRUQLFHUUEPIX-UHFFFAOYSA-N 439.541 2.048 30 10 IEEE C=CCCCNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 468374620 XNZDBJHFSPTWIQ-UHFFFAOYSA-N 435.315 2.305 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(-c3ccccc3C#N)c2=O)n1 479376667 IRVNJHCGADHLMH-UHFFFAOYSA-N 444.516 2.293 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 489286547 FWAVPCOZMMGTEN-ZDUSSCGKSA-N 428.876 2.436 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1NS(C)(=O)=O 502447066 QEQSUTHYJRALIO-SFHVURJKSA-N 444.538 2.392 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(F)(F)Oc4ccccc4)n3C)CC2)c1C#N 508233883 DOKPURBGTZDPFJ-UHFFFAOYSA-N 428.447 2.184 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508894822 MMXMPYGNFCSXGP-OYHNWAKOSA-N 428.489 2.164 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513787818 FXXNGGHIOJNHCV-NRFANRHFSA-N 427.482 2.116 30 10 IEEE CN(C)c1nccc(N2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)n1 533393967 NROWNTMJYLIKDZ-UHFFFAOYSA-N 427.940 2.265 30 10 IEEE C[C@H](C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)n1cnc(C#N)n1 545259101 ISRVILLWZCOJPY-GOSISDBHSA-N 443.511 2.241 30 10 IEEE C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCN(c2cccc(C#N)n2)CC1 546919158 HPTKJBIIKMXIMN-FQEVSTJZSA-N 432.572 2.245 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 549724674 YXGLONFEPULXML-QZTJIDSGSA-N 425.537 2.049 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)CC1 558130864 PNWPRIMJYWYLPG-JKSUJKDBSA-N 442.486 2.394 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 558986326 HWNKJSVQOZDBLS-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE COCCOc1cc(NS(=O)(=O)Cc2ccc(F)cc2C#N)c(C(=O)O)cc1OC 574711174 VEHKLENGFMJHRX-UHFFFAOYSA-N 438.433 2.371 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N(C)Cc2ccccc2)nc1C 586302851 JVGTTWOHVQUNQE-SSEXGKCCSA-N 449.554 2.140 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CC1 605411449 BEDPJCFMMUGKMY-UHFFFAOYSA-N 444.605 2.458 30 10 IEEE COc1cc([C@H](C#N)NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 609006574 NVSXOAJSAADDSQ-KRWDZBQOSA-N 447.513 2.070 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 610778096 PSYPBDVFBVHYJX-UHFFFAOYSA-N 433.472 2.389 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCOC[C@H]1CCOC1 731560225 RRWRUOKNWMSTHN-HNAYVOBHSA-N 442.541 2.212 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CCN1C1CC1 732663930 HRMWNBGMMWDFIA-KRWDZBQOSA-N 430.555 2.039 30 10 IEEE CCn1c(S)nc2cc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)ccc2c1=O 734293936 UKEOSWYLOQDAQF-UHFFFAOYSA-N 428.495 2.004 30 10 IEEE N#CCc1ccc(NC(=O)COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749291576 HYVRDRSWCALJFC-MRXNPFEDSA-N 433.511 2.149 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCc3nn(CC)c(=O)cc3C2)ccc1OC 752966147 PJBNFYWTJOCLRE-QGZVFWFLSA-N 425.489 2.221 30 10 IEEE COc1cc(Cl)c(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1Cl 753958243 JCHPOLWWLHIQRV-ZDUSSCGKSA-N 436.320 2.431 30 10 IEEE COc1cccc(/C=C(\C(=O)Nc2cnn(-c3ncccc3C#N)c2)n2nnnc2C)c1 763714461 WHTZUBFKRLJZFH-VXLYETTFSA-N 427.428 2.079 30 10 IEEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(C4CC4)c3=O)ccc21 774538030 VRLRBAFWMUXDLW-UHFFFAOYSA-N 433.533 2.026 30 10 IEEE N#Cc1cnn2c(O)cc(COC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)nc12 781963818 JFVSMFAPUQMLRQ-UHFFFAOYSA-N 427.420 2.447 30 10 IEEE C[C@H](OC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)C(=O)NC1(C#N)CCC1 787683264 CATBKDPPWMZOBX-KRWDZBQOSA-N 426.517 2.445 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)n1 788814045 SFNMMJUAHNVDAG-KTKRTIGZSA-N 434.540 2.443 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cnn(-c3ccccc3)c2)n1 789968395 PDOTZVTVCVGTJM-GOSISDBHSA-N 434.529 2.493 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC)cc3C)cc2C1=O 792069382 AYTXNGSUBJTGGV-UHFFFAOYSA-N 428.466 2.294 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 796094616 CUGFXCGSBWMCIR-IBGZPJMESA-N 432.567 2.384 30 10 IEEE CCOc1ccc(NCc2cnc3ccc(C#N)cn23)cc1S(=O)(=O)N1CCOCC1 796406205 JTNWAXAOTZVPCS-UHFFFAOYSA-N 441.513 2.238 30 10 IEEE CC(C)Cc1ncnc(NCCN/C(O)=C2/N=CC=CC2=O)c1I 804446760 CAQMZJYDHKWSKS-PEZBUJJGSA-N 441.273 2.218 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 812177427 GNSSUXPBHRRBEP-OPAMFIHVSA-N 448.568 2.125 30 10 IEEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812434659 WAZSPOXTHIYXAJ-ZWKOTPCHSA-N 432.546 2.351 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cccc(O)c2)n1)Nc1ccc2c(c1)OCCO2 1084116024 LMSWSLIHOBZPNX-UHFFFAOYSA-N 426.458 2.458 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cccn(CC(F)(F)F)c2=O)c(C#N)cn1CCOC 1125001148 ATEKMNPLBGYIAO-UHFFFAOYSA-N 440.378 2.159 30 10 IEEE N#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(F)(F)F 1133827581 JCTABMTYGWIGSJ-CQSZACIVSA-N 425.379 2.326 30 10 IEEE COc1cc(I)ccc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1137591770 JDLXNINJHQVEHR-UHFFFAOYSA-N 439.257 2.182 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCc3ccnc(C#N)c3)ccc2Cl)C[C@H](C)O1 1139854525 ADKHNCMTHJZXOS-KBPBESRZSA-N 448.932 2.335 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1153262756 OXVNOCOOSPNOFT-IBGZPJMESA-N 446.345 2.354 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCN(CC4CC4)C3)CC2)cc1 1168222615 GOAHUWZBJMAXBQ-FQEVSTJZSA-N 444.601 2.197 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCS(=O)(=O)C(C)(C)C3)C2)C1 1179552471 OZKHKITYOPZCQK-KXSVDRQTSA-N 439.578 2.245 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@@]2(COC)CCCCN2C(=O)OC(C)(C)C)c1C#N 1182253001 ONRCTWJDUQKYFE-NRFANRHFSA-N 434.541 2.178 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1286390533 APWBUAAAASTIBF-FUHWJXTLSA-N 434.587 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1N1CCOCC1 1286403946 OKIFKJOGGSDSSU-UHFFFAOYSA-N 447.930 2.346 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2[C@@H]2C[C@H]2C(C)C)n1 1286469173 DSGCPGXSISTUAT-VQTJNVASSA-N 439.564 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCn2cc(C)cn2)CC1 1286495252 YCAQQVNACPRSSY-UHFFFAOYSA-N 445.571 2.234 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1286510005 GXOQEUAEWWFGEQ-UHFFFAOYSA-N 445.520 2.441 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286549723 BHFVSSCWYDKPHP-JXFKEZNVSA-N 426.521 2.109 30 10 IEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)CN1CCOCC1 1286592259 UNNNVVOVEFCADQ-UHFFFAOYSA-N 430.553 2.377 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286789141 PHZDCKCMGLAYBA-KRWDZBQOSA-N 443.523 2.085 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(CC)C1 1286791972 IWPSJTNJQKUFHT-QFIPXVFZSA-N 429.521 2.173 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1288247675 FJONHXSBXNUMOI-OALUTQOASA-N 438.532 2.116 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2ccco2)CCOC1 1288283804 YKVFMCXDEQAOHP-IIBYNOLFSA-N 430.509 2.080 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1290148102 WOQXBDXDHCPVMU-QGZVFWFLSA-N 425.514 2.314 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1290445477 PHWAEUGFMRCTHO-QGZVFWFLSA-N 449.552 2.315 30 10 IEEE C#CCN(CC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C)C(=O)OC(C)(C)C 1292697361 WRYDBPVEQFYMJG-KRWDZBQOSA-N 429.517 2.381 30 10 IEEE CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1294656184 FUMYOODVRRUUKO-RTBURBONSA-N 434.610 2.042 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)C1=O 1294847150 FYUZLEZWTOQYCG-KRWDZBQOSA-N 437.500 2.145 30 10 IEEE COc1cc(N)c(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1S(C)(=O)=O 1295107988 LJLZAVCDQBHIHG-CQSZACIVSA-N 438.303 2.438 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1CCN(O)C1=O)Cc1cc(F)c(F)cc1F 1298425941 LOYLGPJTFVMATP-ABAIWWIYSA-N 431.411 2.036 30 10 IEEE Cn1ncc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)n1 1298903214 UUYLSWIEONSHEC-HXUWFJFHSA-N 430.438 2.350 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1300307506 FWCOUCYVNFRGMR-FUHWJXTLSA-N 432.594 2.382 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300506140 NLFIQKHDIBBXTL-QZTJIDSGSA-N 434.949 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCc2ccccc21 1300553748 QZGUCGNHXDFKPV-FQEVSTJZSA-N 430.556 2.428 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCSC2)CC1 1300690520 CJUOFUFKARNGDH-QGZVFWFLSA-N 427.574 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(CCOC)CCCC2)CC1 1300726500 OWOTVVQHWGSJPR-FQEVSTJZSA-N 443.592 2.345 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1301085561 NUZGSJHDSFZDOL-GOSISDBHSA-N 431.562 2.307 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCC)C1 1301554064 BRVKUHOSSINFMY-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1301583878 FDJOZWWDSAXUBV-CVEARBPZSA-N 425.464 2.440 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301606248 LPYXGNJKAQFGHZ-SFHVURJKSA-N 440.577 2.373 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCOCCCO)cc1 1302989494 MHGSEHYCVRCWBU-OAQYLSRUSA-N 425.533 2.469 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1303000899 KWGZXRVOLNFQTM-SJORKVTESA-N 442.486 2.175 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1303643303 SDOCMSFMJGCLDY-QFBILLFUSA-N 426.521 2.383 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1305315214 WBCHOGMJLHLCOT-WWMYMODYSA-N 427.461 2.004 30 10 IEEE COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1309269582 AAROZZIQXSOHGP-LBPRGKRZSA-N 443.909 2.260 30 10 IEEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1313672523 FLEYVYNCJHOYJF-HXUWFJFHSA-N 444.543 2.418 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)CC(F)(F)F 1314861577 BHBOGUWHOZXSRN-DLBZAZTESA-N 447.465 2.026 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1316046011 XOUHIVGNEYSIMM-UHFFFAOYSA-N 436.520 2.273 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1316235732 QDHOXPCCDLEMMD-LJQANCHMSA-N 436.520 2.118 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)C1 1320054192 QPHUIVGAQVZHPS-MRXNPFEDSA-N 441.981 2.083 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359104618 DJUDPHSTVFKJJE-SELNLUPBSA-N 447.580 2.002 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359166076 FJIKCAJMKDFURH-KRWDZBQOSA-N 430.459 2.292 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1359224581 WQXCNSGMTAXXKD-IBGZPJMESA-N 438.536 2.375 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)C1 1360784150 ZREWFXKYRNHZRU-FQEVSTJZSA-N 443.939 2.406 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 1452766810 VEYBIYDJNOZRRT-UHFFFAOYSA-N 440.485 2.013 30 10 IEEE CSCC[C@H](NC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456597400 WJUQKQUBTQVZOR-RNJXMRFFSA-N 443.360 2.406 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)NC2(C#N)CCC2)c1=O 1464495689 DHWGDHXCZKUGFD-UHFFFAOYSA-N 439.310 2.312 30 10 IEEE C#CCN(CC(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1)C(=O)OC(C)(C)C 1465735612 RILIARYADFTUEG-UHFFFAOYSA-N 431.533 2.218 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1467993025 WSKCRWJRMBTGQL-HNNXBMFYSA-N 434.290 2.107 30 10 IEEE N#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1F 1469015207 DVYNAQUSHOOCNG-UHFFFAOYSA-N 440.294 2.445 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1469106631 NXBXLFMZEFRUFL-INIZCTEOSA-N 428.558 2.237 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncc[nH]2)c1 1469699217 HTIULESQJXQADZ-IBGZPJMESA-N 426.473 2.322 30 10 IEEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1469871920 IJMSZOYTFHMRGS-SFTDATJTSA-N 425.485 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCc2ccccc2S(C)(=O)=O)CC1 1471759989 AUUWBCOBGNCDDN-UHFFFAOYSA-N 434.558 2.399 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1504409638 DUNVECZQEGHOBB-UYAOXDASSA-N 441.532 2.049 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCN1CCc2ccccc2C1 1504886355 IDSPCXXNJNTRDK-UHFFFAOYSA-N 432.532 2.160 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(C)(C)O 1505001520 CIIUZXSSQBKBSD-LPHOPBHVSA-N 429.521 2.223 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC(O)CC1 1507527855 JWKCHDNACHUNFN-GOSISDBHSA-N 433.560 2.142 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507592424 RUPFJUDQHODYJI-KDOFPFPSSA-N 448.511 2.123 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507629209 KSSICARUPYLLEK-VQIMIIECSA-N 434.537 2.382 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507630785 HMIJAYAAOFBNMY-SFHVURJKSA-N 427.505 2.282 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1507631423 PIFFYFQOTRBSNF-KRWDZBQOSA-N 431.562 2.107 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1([S@](C)=O)CC1 1507709118 ROKBJBGALUODIH-PMERELPUSA-N 425.558 2.434 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[S@](=O)C(C)(C)C)CC1 1507730829 WCSCVEPUCLJWQF-HKBQPEDESA-N 449.571 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cnccn2)nnc1[C@@]1(OCC)CCOC1 1507812744 YWMZOVGUNWTMTB-LQBOVUBWSA-N 428.537 2.338 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CS(C)(=O)=O)CC2)CC1 1507886641 BTIWFEANRKZDMQ-UHFFFAOYSA-N 449.602 2.251 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1507917189 ZAYDBMZDFOBORI-JKSUJKDBSA-N 443.639 2.155 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1508072462 IEDQVYUVKPCWEN-WBMJQRKESA-N 449.353 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1508078618 FLPTUXUPRNNZDK-GOSISDBHSA-N 425.533 2.269 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cc(Cl)cn2)CCOC1 1509809585 WRSRDVCHAJZTEJ-MOPGFXCFSA-N 437.907 2.311 30 10 IEEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)o1 1513722020 ATYRPXLTAFGHJS-UHFFFAOYSA-N 449.515 2.019 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1516421898 XHBNDCCAKGFNMF-FQEVSTJZSA-N 426.521 2.260 30 10 IEEE CCN1C(=O)C[C@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)[C@H]1c1cccc(C)c1 1516423445 GYQWDQIARIGYDM-SIKLNZKXSA-N 434.544 2.167 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1529728114 YLZSZDRVZGQJQK-AEFFLSMTSA-N 444.532 2.452 30 10 IEEE Cn1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c(I)n1 1533096726 JLHYQSWDJRARAY-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539031089 WKDSTBJVFBZDDA-RTBURBONSA-N 445.589 2.213 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1539264152 WQISUXAFRTWVBJ-YADHBBJMSA-N 427.593 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)cc2)CC1 1539466750 FOXVSBUADSIBHX-UHFFFAOYSA-N 448.571 2.031 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539637973 WAQVOCHFKWWOJA-REWPJTCUSA-N 444.624 2.202 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 1540334536 LTGJDDQTTJKUIH-UHFFFAOYSA-N 427.482 2.354 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(N)=O)C1 1540881109 YLLJLWAGQXMSSM-MOPGFXCFSA-N 425.533 2.487 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540920246 SEQYIHQKFFFLHK-KRWDZBQOSA-N 433.582 2.336 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)C1 1540937778 GLPLYEKPWAEDSF-UGKGYDQZSA-N 435.576 2.462 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1541105519 KDXRKUYBWJWIFM-LSDHHAIUSA-N 440.483 2.364 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1542521619 IFYGCAHPBJHPBU-IRXDYDNUSA-N 444.561 2.174 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2CCCO)cs1 1542908791 MNCRTKCKMMGGQI-LJQANCHMSA-N 429.594 2.221 30 10 IEEE CO[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1554605211 IZHYHUGMNVRJBY-HNNXBMFYSA-N 438.561 2.262 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCc2ccccc21 1555558695 APZFZCZPWZZCCP-DEOSSOPVSA-N 449.559 2.340 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1555753530 QNLROTBPGOIJMK-TYPHKJRUSA-N 440.548 2.040 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)s1 1568009637 YEBTUGZWKBBNJI-INIZCTEOSA-N 448.570 2.178 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)C(=O)OC 1568154797 RSKCSJAZHRPUTL-SJORKVTESA-N 425.323 2.446 30 10 IEEE Cc1ccc2nnc(CNC(=O)C3CN(c4ccc(Br)cc4C#N)C3)n2c1 1570467479 CRNSHPBEPKFALL-UHFFFAOYSA-N 425.290 2.425 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)n(C)n1 1586321033 XHOWVYAYLOVLRP-IRXDYDNUSA-N 440.935 2.392 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1588420620 IRESQJGTLJBPKQ-UHFFFAOYSA-N 437.573 2.373 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCCOC2)n1 1588723383 MJRBAUNGVDRDFP-IBGZPJMESA-N 435.532 2.249 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H]2c2ccccc2)CC1 1588884836 ODOOUCHVCHLZBK-SFTDATJTSA-N 448.571 2.186 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1589036673 MNSBVOJZPPRTNT-LJQANCHMSA-N 445.614 2.316 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)C 1589568748 MEIFMKGUXYSJIA-WIYYLYMNSA-N 429.569 2.082 30 10 IEEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCCCC1 1597381175 NCLDYOMBXQTPRW-FGTMMUONSA-N 438.590 2.499 30 10 IEEE Cc1ccc([C@H](Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)N(C)C)cc1 1611988395 ASRHTMCDUDSWHD-QFIPXVFZSA-N 447.591 2.438 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c(I)c1 1616826931 LTEUJSLKRWFMGE-NSHDSACASA-N 430.267 2.316 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 1618029953 NWOCYQHCHICYIE-OALUTQOASA-N 447.601 2.143 30 10 IEEE COC[C@@H](Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1619608818 OEECKMURFLSDRU-FGTMMUONSA-N 448.568 2.450 30 10 IEEE COCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619822008 BXUVOTQGGYTPCK-GOSISDBHSA-N 447.547 2.067 30 10 IEEE CCN(CCC#N)C(=O)CN1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1620643142 WXVMAAHPJQWEDS-HXUWFJFHSA-N 437.382 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3CC#N)C2)CC1 1622115537 FMPZPVFSOMJNTD-SFHVURJKSA-N 434.562 2.068 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)C1 1624738243 FXMCXODCPFNOFR-KRWDZBQOSA-N 431.265 2.239 30 10 IEEE COc1ccc(C2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)nc1 1628465626 SYHUFSIWBLZGBT-UHFFFAOYSA-N 428.514 2.220 30 10 IEEE C#CC[C@@H]1CCN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1630401806 UCIDGOKWBUGEAG-QZTJIDSGSA-N 440.569 2.416 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)CCOC1 1633317550 ULKBNOJGELKAIX-VWLOTQADSA-N 449.507 2.227 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2c[nH]cc(I)c2=O)cc1 1634953754 SHJXPIOOCUIVHR-HNNXBMFYSA-N 434.237 2.459 30 10 IEEE CC(C)O[C@]1(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCOC1 1638599621 POEVFSFFJODJMR-QHCPKHFHSA-N 438.532 2.364 30 10 IEEE COC[C@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1642120095 FLYUOGZZYGKTJG-QHCPKHFHSA-N 442.516 2.471 30 10 IEEE C=C(C)C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OC 1642698249 NZVALANLVPHQDS-UNMCSNQZSA-N 449.507 2.124 30 10 IEEE COc1cc(C(=O)NCC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc(OC)c1OC 1643071302 COQAZJXLKOKQII-UHFFFAOYSA-N 449.467 2.197 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1n[nH]c2nc(C(F)(F)F)ccc12 1648832273 OWVQAGOFWOJESM-UHFFFAOYSA-N 438.391 2.044 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1649538275 QCUSERZXZSUZGW-MIZPHKNDSA-N 433.597 2.278 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CNC(=O)c2ccccc2Cl)c(=O)c1C#N 1650978535 FIFVZHFLNAFFKE-UHFFFAOYSA-N 437.681 2.253 30 10 IEEE CCOc1ccc(CCCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OCC 1653762940 JOFQNSJKFVRYEM-UHFFFAOYSA-N 426.473 2.024 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1654811624 KLZUWRZGZHGACS-INIZCTEOSA-N 435.452 2.096 30 10 IEEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1)C1CC1 1666929213 COZDDJQKTWBDKU-UHFFFAOYSA-N 434.562 2.183 30 10 IEEE C#C[C@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(Br)cc1 1667482999 ULALNLQKBRDYIO-KRWDZBQOSA-N 446.305 2.000 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 1684165653 IRAFOCDFCCYKTR-IBGZPJMESA-N 438.981 2.366 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1689847861 KCWMFMZVZITXLQ-OAHLLOKOSA-N 445.531 2.045 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCSCCCO 1689848198 QIGUXGWVRMBWCX-INIZCTEOSA-N 440.573 2.248 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCC[C@@H]1CO 1690008744 NCDUSTKPQJNUIZ-LJQANCHMSA-N 426.952 2.303 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)no1 1690094923 ACNIGTVGIXFIKJ-UHFFFAOYSA-N 433.310 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2([S@@](C)=O)CC2)CC1 1690113460 KAVDTGHMWJNVCZ-PRAQEBQASA-N 425.602 2.486 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCSC2)CC1 1690137844 KJPPCRONURZYGZ-MSOLQXFVSA-N 449.621 2.111 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(OCCOC)CC1 1690244366 WVUTWGVJWDKKOO-FXAWDEMLSA-N 428.537 2.348 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690264648 ZQFBDLNRTOSXTQ-LEWJYISDSA-N 438.576 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](CN(CC)CC)C1 1690666679 CPJHCVIMJYTTDK-KRWDZBQOSA-N 440.548 2.144 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(Br)n1 1692526637 XVMCXENVAJSORE-QGZVFWFLSA-N 436.289 2.064 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C)ccc1OC(C)C 1697255572 CVAKRVQRUWETRO-SJLPKXTDSA-N 428.537 2.420 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1Cc1ccn(C)n1 1698048857 AISBJUAWKZFAQK-FQEVSTJZSA-N 435.532 2.479 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(F)(F)F)CCO1 1698493499 MZFIYGKDYOWUGI-AWEZNQCLSA-N 439.394 2.372 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1705495634 SIOSAFUSVUUZKH-KBPBESRZSA-N 441.479 2.295 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@H](C)C1 1705583161 RPHNKSBKKYZAEP-MZKRTTBSSA-N 449.555 2.363 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1705672698 FVMLJQVFWNFBRB-HNAYVOBHSA-N 437.491 2.052 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CCC1 1706750912 BQDDJKIXDFWZNU-MLNJSSBLSA-N 434.591 2.309 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCC1 1708478927 ZRXPOSCNIGTZJL-AWEZNQCLSA-N 444.561 2.294 30 10 IEEE CCN1CCN(CCCn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@@H](C)CC#N)CC1 1710300649 GFUBPWINSYAQET-FQEVSTJZSA-N 449.607 2.283 30 10 IEEE CN(CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1711212839 ZSHCTKDAKFFIIR-ZDUSSCGKSA-N 444.408 2.370 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1711563065 GUUQOCDTNKTJIK-WOJBJXKFSA-N 439.564 2.436 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(C3CCC3)n2CCSCCCO)CC1 1712881878 MYODYCGISDZBDU-UHFFFAOYSA-N 427.578 2.254 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OCC 1722349961 HMTLISUOOUXSKQ-UHFFFAOYSA-N 439.545 2.150 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1722402179 ITMKNWOIYMNEHS-AWEZNQCLSA-N 438.623 2.345 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCCC1=O 1722416872 QQMFHJYNIRXFIB-UHFFFAOYSA-N 434.544 2.031 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1722421507 NPZBKZRWRYRCBT-LSDHQDQOSA-N 434.475 2.461 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1722438148 ZGKYNDWJHWAMPB-VXKWHMMOSA-N 428.625 2.438 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2sccc2Br)CC1 1722438724 ZUFOAVCNADADCD-UHFFFAOYSA-N 446.378 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722503904 DUWOMFPWKJTBLL-WDSOQIARSA-N 437.610 2.245 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722696447 NTQNZZJDERYIGV-QGZVFWFLSA-N 440.523 2.129 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)OC 1727955331 CKQRNWBJKORPDS-RBUKOAKNSA-N 447.561 2.167 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1729570601 YIFJLSJEDGXMSQ-MXLIYFDZSA-N 438.536 2.077 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC[C@H]1C 1730390169 ONRJYWFVYJYPSN-FOIQADDNSA-N 431.500 2.220 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1730580304 AWVLHKCLOMNHGB-GOSISDBHSA-N 426.521 2.070 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C)N(C)C2CC2)c1 1740561824 CNKBJCHVFJJVBR-KRWDZBQOSA-N 444.543 2.274 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1740611658 NKEHFSDBCCJPIR-QHCPKHFHSA-N 430.556 2.338 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CCC)C1 1740714330 ZTMVJWBUSIIGTH-IBGZPJMESA-N 438.561 2.293 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](CC)C1 1740715762 NCJRLXDUPYQQAT-MRXNPFEDSA-N 448.618 2.220 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740716346 QCTYVTDWZGEZKI-UHFFFAOYSA-N 440.573 2.454 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1740731342 VLOWDBLSOMLMOG-PGRDOPGGSA-N 428.558 2.424 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740794087 PBIVAZCRZRNVLE-QGZVFWFLSA-N 445.593 2.267 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740865406 UAYJQTWFRZPTQJ-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1740992042 LTZAOAUPYBBPPU-LJQANCHMSA-N 443.529 2.131 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)OC 1744165027 BEJZSNIICPLCDN-ZWKOTPCHSA-N 447.561 2.167 30 10 IEEE CO[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1748442169 HJNHJDQIGGPBRT-IBGZPJMESA-N 428.585 2.388 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(NC(C)=O)c2)CC1 1749015121 SKOAEGOVTPITON-UHFFFAOYSA-N 436.560 2.449 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1749066433 JXDZGVPKBZQJIW-LAUBAEHRSA-N 437.610 2.429 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749175267 BGORILDUUJVUQF-GOEBONIOSA-N 427.505 2.262 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749266070 CQLUGHHASPKYGA-JZXOWHBKSA-N 436.988 2.307 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(F)(F)F 1749725476 VRJUJVJZZHKKQV-UHFFFAOYSA-N 433.412 2.453 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1750104533 LOBQTCHPQJKTFZ-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760119892 DRMYMHBQSDCWSV-KRWDZBQOSA-N 439.541 2.204 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760178910 FTOBFRVXJLTRMA-LJQANCHMSA-N 445.589 2.031 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCSC1 1760200930 XVDFCTJOJQBBSZ-QGZVFWFLSA-N 442.614 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760206530 CPARIDNXAXBAID-GOSISDBHSA-N 433.482 2.097 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1760230164 UATSFYGEYDEXDP-UHFFFAOYSA-N 439.438 2.490 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H](C)N(C)C)CC1 1760259013 WXXUABPWRXZVOD-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1760289863 SPXOLQXJJVVHHG-CSODHUTKSA-N 436.626 2.001 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1760555098 WNPXCBIIWKYHKJ-ROUUACIJSA-N 436.965 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](NC(=O)CCC)C2)nnc1C(C)(C)C 1760557956 BMIAHYXQTYYLTI-INIZCTEOSA-N 425.599 2.062 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1760559101 IPGLVNVMRWOGGZ-UHFFFAOYSA-N 445.549 2.123 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1760563949 JMERCUBEDXBETH-UHFFFAOYSA-N 430.578 2.299 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1(O)CCOCC1 1761035987 HNHUJVSFDDOTFL-UHFFFAOYSA-N 439.564 2.001 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(C)Cc2ccccc2C1 1761462779 AGZNWHFFSRHTHS-CVEARBPZSA-N 430.578 2.432 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c1C 1761591589 PFOYXKQJDGGDAK-UXHICEINSA-N 442.564 2.342 30 10 IEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1764541699 NZAXRSQBKDLCFJ-YADHBBJMSA-N 426.496 2.340 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1765306678 COFFXKDNXCKWQF-PKOBYXMFSA-N 438.532 2.259 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1766945842 UJXQWXPDOSNUJS-UTKZUKDTSA-N 428.562 2.477 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C#N)CC1 1768302051 DYQRVYXOZKZJEI-UHFFFAOYSA-N 446.577 2.153 30 10 IEEE COC(OC)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1769691089 WFKJZFUBRUDPMM-RBUKOAKNSA-N 427.505 2.241 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCOC3)n1CCCOC(F)(F)F)C2 1770735927 SAVLWSRPDRTHGB-LBPRGKRZSA-N 438.410 2.243 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CC1 1770745150 RTKRFINNAMLDKE-LJQANCHMSA-N 434.610 2.186 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC(F)F)CCO1 1771535816 AAOMKECGIBWIAG-LBPRGKRZSA-N 445.268 2.436 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)C2CCC2)CCO1 1771537217 JUGTUUMMELXQHN-MRXNPFEDSA-N 444.486 2.182 30 10 IEEE Cc1nn2c(NC(=O)c3cc(Br)cnc3N3CCOCC3)ccnc2c1C#N 1851145830 LYOPOGCMZPZHRN-UHFFFAOYSA-N 442.277 2.156 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)CC(=O)Nc3ccc(Br)cc3)CO2)nc1 1851215278 OAOKMLPJKRRUEM-OAHLLOKOSA-N 431.246 2.408 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 1851737111 IMSKXDJGLMOBAC-UHFFFAOYSA-N 438.431 2.427 30 10 IEEE CN1CCC[C@H]1C(=O)O[C@H](COc1ccc(C#N)cc1)CS(=O)(=O)c1ccccc1 1852506073 XLFRLFNXBGDNTD-CTNGQTDRSA-N 428.510 2.417 30 10 IEEE Cc1nn([C@H](C)C(=O)N2CCO[C@@H](C#N)C2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 1852645799 BOTOFSIHPZYTCT-VGSWGCGISA-N 447.495 2.233 30 10 IEEE N#Cc1ccnc(N2CCN(Cc3nc(-c4cccc(Br)c4)no3)CC2)n1 1852801289 TYPKLQQKWYZCJZ-UHFFFAOYSA-N 426.278 2.483 30 10 IEEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)S1(=O)=O 1853269300 YVMZTJKVLDORKP-UHFFFAOYSA-N 430.914 2.499 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2Cl)C(=O)C12CCCCC2 1854401914 WFWLRPIDAMSVBR-UHFFFAOYSA-N 427.885 2.320 30 10 IEEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC[C@@H](Oc4ncccc4Cl)C3)CC2=O)ccn1 1857192791 RNONYWQALCXOLG-RHSMWYFYSA-N 425.876 2.144 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2CC(C)C 1873552717 YKGPRFWGXNFAFM-UHFFFAOYSA-N 426.565 2.016 30 10 IEEE C=CC1(NC2(C(=O)O)CN(C(=O)OCc3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 1892921858 JIKRIMMTRMBKLE-UHFFFAOYSA-N 431.489 2.227 30 10 IEEE CC(C)(CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900453594 FQJZFDCMTDZKHO-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE C=CC1(N[C@@]2(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 1904401354 IZNXHFRPMLALNW-QKKBWIMNSA-N 425.526 2.462 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2010226015 WELUUEPTVRIWNI-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2033803249 MPDZQTFNGHLFJG-IEBWSBKVSA-N 432.370 2.303 30 10 IEEE CO[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2060637060 GEDZOYUQJUFBBK-YVSFHVDLSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2073247687 IFKSGVFKCGWUNG-INIZCTEOSA-N 438.305 2.339 30 10 IEEE C[C@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145995174 LIJCEBOVEXMHSZ-QMTMVMCOSA-N 433.530 2.486 30 10 IEEE Cc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2232308161 UMWATVGRKPCTKI-RYQLBKOJSA-N 445.369 2.418 30 10 IEEE CC(C)(C#CC(=O)N(CCO)CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2243172381 ICXCTXNIFBKBMW-UHFFFAOYSA-N 427.542 2.029 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630078 FJVWRDSXJCTEBB-UHFFFAOYSA-N 434.346 2.275 30 10 IEEE Cc1cnc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255867865 HTBPEOSTXBBIRV-UHFFFAOYSA-N 431.342 2.381 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256614730 PGVGERXTWHLTIJ-GOEBONIOSA-N 433.314 2.002 30 10 IEEE Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266989594 HDHFZOAVTQVRHH-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE Cn1cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267177425 NICRFDSVCWDQEW-JOCHJYFZSA-N 448.373 2.143 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267183792 IFRJOSSGHPUSPJ-MRXNPFEDSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267184050 RVJTWVIQGLWJKU-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CC1(C)OCCO1 2267366364 FJPQWJCFKRGERT-ZDUSSCGKSA-N 431.385 2.115 30 10 IEEE C[C@H]1C[C@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2267483307 QMJDLVZYQBFDCE-HKUYNNGSSA-N 438.381 2.454 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267510481 LRUSLKGDSRIEAO-SCAQPMJSSA-N 443.353 2.284 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2267523752 GUVUJEFRXXRBTO-GOEBONIOSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267813008 KDVQWHXALIOEOV-WFASDCNBSA-N 448.325 2.040 30 10 IEEE Cc1cc(NC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2268636428 CMYFLWLEKHGTFI-UHFFFAOYSA-N 445.369 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268651706 CBYLIUFKHRJVIE-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268653081 KLAOHLKUKLSWQD-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278740756 YHJVFJRTRZSNCC-YJBOKZPZSA-N 444.347 2.244 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)ccc2Cl)OC1(C)C 2282870121 NDHPEWODCZTEDO-ZDUSSCGKSA-N 443.758 2.023 30 10 IEEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=Nn1c(S)nnc(C(C)(C)C)c1=O 2321660912 YCPDWSPMBJHTHG-UHFFFAOYSA-N 445.501 2.392 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2336392592 QXAGLDPCTSYTTF-CQSZACIVSA-N 446.357 2.086 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 109942061 UCLVKNSZSBMYDY-SFHVURJKSA-N 429.523 2.424 30 10 IEEE COc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(I)c1 434412565 OYQNFTXUABIFMM-UHFFFAOYSA-N 427.242 2.391 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 484483936 HIIYMXZZWWRWEF-FQEVSTJZSA-N 438.484 2.239 30 10 IEEE Cc1cc([C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCO2)ccc1F 486046350 PRGNDFKLAMSSPF-MGPUTAFESA-N 431.489 2.273 30 10 IEEE Cc1cccc2nc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[nH]c12 498382109 KEZVRJZZYMBMQS-UHFFFAOYSA-N 437.525 2.460 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H](Cc3cccnc3)NC(=O)c3ccccc3)CC2)nc1 499107172 RQASRUZEPZENSR-QFIPXVFZSA-N 440.507 2.038 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccc(OCC)cc3)n2)CC1 512706112 VKBKSLCWOIAJMN-UHFFFAOYSA-N 428.558 2.198 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccoc4)n3C[C@@H]3CCCCO3)CC2)c1C#N 515076156 YIXGPGNZNVRTKY-SFHVURJKSA-N 436.520 2.347 30 10 IEEE COc1cc2nc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)sc2cc1OC 531750889 YAAIVNWVWDKTRY-LLVKDONJSA-N 446.510 2.491 30 10 IEEE CC[C@@H](C)Oc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 539599457 PBHVFUXJTRQYCY-MRXNPFEDSA-N 428.514 2.277 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 549665786 WEGKNGJXPZIMGM-HXUWFJFHSA-N 425.533 2.303 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1 558053604 RUVJIXWQQHHIPV-QGZVFWFLSA-N 428.514 2.351 30 10 IEEE C=CCOc1cc(NCC(=O)Nc2nc(C)c(C(=O)OCC)s2)ccc1-n1cnnn1 586268176 FHOTYHVKBAPCHQ-UHFFFAOYSA-N 443.489 2.219 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C#N 604000869 FFERKEQEHDUKKJ-UHFFFAOYSA-N 444.472 2.407 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2cccc(Cl)c2)cc1 609168946 OMLJXJKPVYIWEV-KRWDZBQOSA-N 428.901 2.482 30 10 IEEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 610166263 JPMCBOHFEFMJMZ-SIKLNZKXSA-N 434.544 2.074 30 10 IEEE N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 619817542 CTHBSYZKTJRCNS-UHFFFAOYSA-N 428.848 2.268 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669813881 XWFRTIOYEGFDJH-WIYYLYMNSA-N 438.576 2.052 30 10 IEEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C2CC2)c1=O 683735390 TXOIHEVUEIKNIH-UHFFFAOYSA-N 447.358 2.003 30 10 IEEE C#CCOc1cccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 730403006 PZLUPPCXOVXSCY-UHFFFAOYSA-N 429.494 2.385 30 10 IEEE Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732155493 CMJNPTBYTAOGJL-ZPHPHTNESA-N 430.461 2.426 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)CCN1C1CC1 732701231 LWBJDLQUHKTXKP-NRFANRHFSA-N 433.516 2.285 30 10 IEEE Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706881 RBUJWMRMWTVEGI-YLJYHZDGSA-N 437.544 2.147 30 10 IEEE CCOc1ccccc1N1C[C@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1=O 734292499 RGCLGHYIDFGWMG-MRXNPFEDSA-N 427.482 2.123 30 10 IEEE COC(=O)[C@@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(C#N)cc1 739991741 ZIWGLZGULVVCNM-QHCPKHFHSA-N 436.512 2.223 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1 741711865 PAVKESMHUINISV-PXNSSMCTSA-N 431.583 2.473 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1C1CC1 746403649 TWSUMNXBWMJUSP-KRWDZBQOSA-N 432.406 2.028 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H](C#N)C1 754559224 ZYXIORUGHMQIJO-INIZCTEOSA-N 440.500 2.424 30 10 IEEE Cc1ncsc1-c1nc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 761004616 PLMCOEUZUXDXFA-UHFFFAOYSA-N 447.498 2.064 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1)c1cc[nH]n1 770825521 XEHBETOLVXFDQU-HNNXBMFYSA-N 447.923 2.252 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCS(=O)(=O)C1 774221546 ZNKGBEMQSGUSNV-WBVHZDCISA-N 429.464 2.116 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 777316856 HUCPYEXBWCVGPR-UHFFFAOYSA-N 443.909 2.043 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783957877 OXCVYBWNARIFJC-UHFFFAOYSA-N 442.525 2.176 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCc3cc(S(C)(=O)=O)ccc3OC)cc2C1=O 789519313 ZFVBTRJFVHDXKL-UHFFFAOYSA-N 429.450 2.238 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1cnc(OC)nc1C 798574458 VUEJMWYCRCYMRK-INIZCTEOSA-N 432.502 2.134 30 10 IEEE C#CCC(CC#C)C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 807491266 XJZZCYRIGFAIPC-UHFFFAOYSA-N 425.533 2.398 30 10 IEEE COC(=O)c1c(F)ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 810785030 HJFJBYNDZACTPV-NSHDSACASA-N 433.461 2.377 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1S(=O)(=O)NCC#N 858075333 QLXXAQUJHXOBAF-LJQANCHMSA-N 440.525 2.363 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 858077329 BKBFUSMOJHIIOV-DNVCBOLYSA-N 440.525 2.177 30 10 IEEE CC[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)S1(=O)=O 1140280645 XAFYMACZHVWLRT-WZHFUWBISA-N 439.578 2.197 30 10 IEEE C#CCN(CC(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1)C(=O)OC(C)(C)C 1142728537 AIIXKCSTWQAYLQ-UHFFFAOYSA-N 428.533 2.273 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3Cc4cccc(C#N)c4C3)CS(=O)(=O)[C@H]2C1 1164209438 LJUURLASKUPPFZ-QRQLOZEOSA-N 445.541 2.071 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1Cc2cccc(C#N)c2C1 1164209440 LJUURLASKUPPFZ-QXAKKESOSA-N 445.541 2.071 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2C1 1195472824 PYOIWYICVDRSOY-SFHVURJKSA-N 431.539 2.287 30 10 IEEE CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198070249 BADHGKMPOXSYID-CXMBCZLWSA-N 445.310 2.063 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)cc1 1200254543 OKEPQDQRZSFKFB-UHFFFAOYSA-N 436.512 2.315 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C)cc(C(N)=O)c1 1213711729 MLNLZPNLRCVJNR-UHFFFAOYSA-N 435.546 2.117 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286325546 YZKZLRXZXOSWQL-NHCUHLMSSA-N 442.608 2.109 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1286387043 NCIRDEOQUBAVNA-LLGFUMIMSA-N 431.562 2.248 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1286483926 DQXMLGKFIBHMHN-SFHVURJKSA-N 426.540 2.234 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286512950 ZLSVCLZKWOHEIG-IBGZPJMESA-N 427.574 2.053 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1286567918 YINNUVJUFPRNDD-UHFFFAOYSA-N 447.605 2.473 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1286643391 GXUYPAOEYZHMHP-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1286786103 NQIQEOATBDDHOG-UHFFFAOYSA-N 444.609 2.369 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1286798167 HULJQBYWFKDWFL-SJORKVTESA-N 448.568 2.209 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298594110 QEEBQFVITITYHA-BMRADRMJSA-N 435.410 2.255 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300486785 BEIKXCIDTIZXDI-SFHVURJKSA-N 425.489 2.154 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1ccco1 1300545149 JJYRYPZWQDGHKO-UHFFFAOYSA-N 426.480 2.446 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCNC(=O)OC(C)(C)C 1300547305 JVRJLFWWOPPSIQ-UHFFFAOYSA-N 439.516 2.463 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCCNC(=O)OC(C)(C)C)s1 1300698781 LJMQSAMKMFCXME-UHFFFAOYSA-N 431.580 2.128 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1300706219 JFFPFADVKIZTRT-IRXDYDNUSA-N 438.498 2.449 30 10 IEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300856746 JKNAHSFBAUGVCL-HUUCEWRRSA-N 427.343 2.280 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300870213 RHXGTKQJJIUCOB-GTTCVCPQSA-N 444.624 2.385 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301059242 UOGYOQSYKAQJLE-HOTGVXAUSA-N 425.961 2.449 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1301596690 VZYJSUJXRHQLQB-QGZVFWFLSA-N 434.610 2.318 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1301611407 MAEDCGATEMGMRG-IRXDYDNUSA-N 443.639 2.155 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 1302603345 SEIYNBRSKSDZGU-WDSOQIARSA-N 433.574 2.463 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1304409896 IECRBMZURIMSAR-CVDCTZTESA-N 442.539 2.454 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(CCc3ccncc3)CC2)cc1Br 1309830096 DZLFOCGFWMYYSM-UHFFFAOYSA-N 435.347 2.265 30 10 IEEE CNC(=O)c1cccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)c1 1314982794 WMRWOENDMCDQST-UZUQRXQVSA-N 440.548 2.322 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1358909302 AZEBKMKVXMVUSX-UHFFFAOYSA-N 431.548 2.327 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358956527 HDVMYWMYSUMWHG-QZTJIDSGSA-N 449.621 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(F)cc2)CCOCC1 1358968803 ZSKWGYLBXVPEEL-UHFFFAOYSA-N 437.519 2.377 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1359010661 VVRVVZVKFPSXGY-WIYYLYMNSA-N 425.533 2.218 30 10 IEEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nnn(C)n1 1359012354 IOMZGUMGMYYFDP-UHFFFAOYSA-N 428.928 2.283 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359016630 IHYJBBHOZGFRKW-LJQANCHMSA-N 431.537 2.358 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCn2cc(Br)cn2)CC1 1359029306 UKPZYOYXXZYELM-UHFFFAOYSA-N 434.386 2.380 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1359106581 JJDZCWLSJNCJML-MRXNPFEDSA-N 432.550 2.153 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359135150 UILGWCKIDYNMSW-LJQANCHMSA-N 427.578 2.403 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](CC(C)C)C1 1359331460 ZZIHQMCGGGWSHQ-INIZCTEOSA-N 449.577 2.479 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCC(C)C)CCO1 1359446650 GKKIYXZXXRHCQM-OAQYLSRUSA-N 440.548 2.221 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1359466539 CXYRKPOFUKGLLM-RBSFLKMASA-N 438.529 2.091 30 10 IEEE N#C[C@@H](NC(=O)COc1nsnc1N1CCOCC1)c1cccc(Cl)c1Cl 1443517636 MNAIUEWXTDMUTL-GFCCVEGCSA-N 428.301 2.441 30 10 IEEE C[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1446027519 ZHRSVSRPQNFHOF-FOIQADDNSA-N 446.548 2.322 30 10 IEEE CC1(C)Cc2n[nH]cc2CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1454214388 NERZBKKEWIIDDX-UHFFFAOYSA-N 441.557 2.293 30 10 IEEE CC(=O)N1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2)CC1 1455019110 FDBOZGCVBPPKOV-UHFFFAOYSA-N 444.488 2.044 30 10 IEEE C=CCCC[C@@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OC 1455831803 FJWMEBCEHGYYBF-CQSZACIVSA-N 444.269 2.035 30 10 IEEE COc1nscc1CN(C)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1456357626 IKZZVGGYOQZLOY-HNNXBMFYSA-N 436.559 2.264 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1456475345 LFYSOTGDKMIGFJ-UHFFFAOYSA-N 433.433 2.455 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cc1 1466736341 IEXHXIGQJGIQQO-LMMKCTJWSA-N 426.517 2.477 30 10 IEEE CN(CCN(C)C(=O)c1cc2ccccc2n1CC#N)CCN1C(=O)c2ccccc2C1=O 1468606967 FVGISSLPQHLKHT-UHFFFAOYSA-N 443.507 2.465 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 1469546147 QMGPFSNFCBLTCW-QGZVFWFLSA-N 448.495 2.242 30 10 IEEE CC(C)C(=O)N[C@@H](CO)C(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1471651267 FSBSFNRQAAGIFG-IBGZPJMESA-N 426.322 2.211 30 10 IEEE Cc1noc(C)c1CSc1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371565 TWLVHVZTBMWVFI-UHFFFAOYSA-N 437.481 2.415 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1494622790 QYVQKZWYLXQFEQ-ZYSHUDEJSA-N 429.546 2.210 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1502059252 CLVKUDWRQNGMAT-VZCXRCSSSA-N 438.536 2.222 30 10 IEEE COc1ccc(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1504219969 FUPATIDSMDISRG-FXAWDEMLSA-N 438.532 2.130 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccncc1 1507522961 ZLVOGKOQUIOHIQ-QGZVFWFLSA-N 438.557 2.291 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(-c2ccccc2)n1 1507601932 WGZPCDFZZRUVTM-OAHLLOKOSA-N 444.586 2.324 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1507630636 DTCYSSWJLKBLTI-KRWDZBQOSA-N 448.618 2.141 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507632218 JXTNBRFCAYAQNU-OAQYLSRUSA-N 441.601 2.282 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507634815 NNAGZKGRJAPAIO-LJQANCHMSA-N 428.558 2.109 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ncccc1F 1507677260 WXXODMGMGYTMED-HKUYNNGSSA-N 427.480 2.078 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507797214 RRJXNVPHZXFGDQ-PKOBYXMFSA-N 449.577 2.299 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1507870235 GJHMSYLEWLMGJI-UHFFFAOYSA-N 432.956 2.176 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1508111241 DRLPBRVYAOFBOH-CTNGQTDRSA-N 426.565 2.478 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CC=CCO1 1509667057 XAZSLUDTXSHXBF-HXUWFJFHSA-N 449.559 2.350 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1517007865 VUELEJIVARGEGT-UHFFFAOYSA-N 432.594 2.275 30 10 IEEE CC(C)N1CC[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@H](c2cnn(C)c2)C1 1528123087 MXUFGKSGGAIJES-PMACEKPBSA-N 432.532 2.384 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)CC2=O)cc1 1534327616 GXPUWIIYFQUGLL-FQEVSTJZSA-N 432.480 2.392 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539133336 FCXKCCKMMPLGTK-KNQAVFIVSA-N 426.609 2.413 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1coc(-c2ccc(C)cc2)n1 1539178921 MOVDRACJCCRTDG-GOSISDBHSA-N 439.541 2.456 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539194095 RNLRFCSRMFRIJA-OAQYLSRUSA-N 447.543 2.375 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539212134 SDSOVSXZADEPFT-DLBZAZTESA-N 445.614 2.499 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539230019 JSYPWKKKODMZJA-SFTDATJTSA-N 442.585 2.117 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(N2CCOCC2)CC1 1539240065 WGYJUFIDHZOEJC-LJQANCHMSA-N 437.519 2.495 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCc2nnc(C)s2)CC1 1539461162 AXWVTYWEEBZLCQ-UHFFFAOYSA-N 441.536 2.154 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)c2ncc(C)s2)CC1 1539463179 WIAJYDSOGNMPAX-WDSOQIARSA-N 444.605 2.326 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539791120 RFOQZDOTEHBCCM-QGZVFWFLSA-N 444.923 2.473 30 10 IEEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539991107 FGHXGPPSKNGSIY-UHFFFAOYSA-N 440.523 2.321 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccccc2)CC1 1540870447 NNMCDKRIAFWBPD-OAQYLSRUSA-N 438.576 2.187 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNC(=O)C2CCC2)CCOC1 1541724272 PKJFNMGTOPAJQE-HSZRJFAPSA-N 444.580 2.365 30 10 IEEE Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(N)=O 1548369168 GVJAGSLTDPZIKQ-GOSISDBHSA-N 449.433 2.317 30 10 IEEE CN(C)c1ccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1552814747 QUNPGUZSUCMZJW-JOCHJYFZSA-N 425.512 2.151 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C#N)o1 1554303515 NQCBWSQZXVIBOQ-UHFFFAOYSA-N 434.909 2.097 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1555196495 AMSRNXSFLMQSRW-SESVDKBCSA-N 441.532 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 1556453667 GQNFCMFYTUXNHR-QGZVFWFLSA-N 434.924 2.031 30 10 IEEE CCOC(=O)CC1(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCOCC1 1561787360 ALWWGLDJSLRBOB-UHFFFAOYSA-N 431.308 2.101 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)nn1 1564958330 OCESAUQXWOPIPF-UHFFFAOYSA-N 437.317 2.393 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCC2CCN(C3CCOCC3)CC2)CC1 1565051233 CCNKBFSUGUCKRL-UHFFFAOYSA-N 429.540 2.420 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C1 1583774507 BJHFDLUHLWAKFW-QGZVFWFLSA-N 427.501 2.118 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1588015807 GDEAHXULYVTHTF-HSZRJFAPSA-N 441.601 2.443 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1588045891 SPECNIMJZONJJB-SFHVURJKSA-N 441.532 2.406 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC1CCN(CCN(C)C)CC1 1588223775 GGLRXEKXDSQLNK-QFIPXVFZSA-N 426.609 2.256 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1588266478 QSBDHSKTYWCTSP-FGTMMUONSA-N 438.642 2.104 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1588266618 SXNDTGKCRHHKCW-ZDUSSCGKSA-N 427.933 2.383 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCN(CC)CC1 1588421020 YRZWKNQDEJBXAG-OAQYLSRUSA-N 448.619 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cnn(Cc2ccccc2)c1 1588628873 PJUDWRZXLFZSHX-UHFFFAOYSA-N 428.500 2.114 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2OCCC2(C)C)n1 1588722584 DIAGCOMGKZYLQL-UXHICEINSA-N 442.564 2.427 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCCCC2)CC1 1588768237 CIMPFGHROARDPE-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)c(OC)c2)CC1 1588954539 IIHODQDYGAZKDX-UHFFFAOYSA-N 437.544 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)c2c(C)noc2C)CC1 1588968938 SNEUYWPVVRJVHW-HNNXBMFYSA-N 428.537 2.189 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1589381441 CEWFLQHECRSFFF-AWEZNQCLSA-N 434.342 2.385 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1595297321 OTHZAGINWPNKAK-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCN(C(C)C)CC2)C1 1595737531 CGNWGNGPJGNAAR-OAQYLSRUSA-N 440.592 2.281 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595866497 MXDPUABGUIAMMB-ZDUSSCGKSA-N 443.499 2.103 30 10 IEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1595906209 ZYIIMVFHEBIQDI-BRWVUGGUSA-N 437.610 2.067 30 10 IEEE C[C@H](c1ccccc1)N(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1611226309 DZCMTTNWANYLAK-UMIVRTMYSA-N 444.499 2.459 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1613529464 HFEIYGGEMLOBPZ-QMHKHESXSA-N 440.548 2.244 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C1 1618852552 BFPKYQOBZOQJRO-HXUWFJFHSA-N 446.511 2.262 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1620077061 DFPDVHHXICWKRC-UHFFFAOYSA-N 433.516 2.201 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 1624134592 KCPFPKNEPVPLRH-HOTGVXAUSA-N 430.977 2.081 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1628733382 YLCYAKGCABUUKM-KRWDZBQOSA-N 444.488 2.186 30 10 IEEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 1630895999 NOKYOXYFWQLBLJ-UHFFFAOYSA-N 439.520 2.027 30 10 IEEE COCCC[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)cc1 1635140075 XWIKKDBBEQEVGD-FUHIMQAGSA-N 439.965 2.430 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)[C@H](O)c2ccc(C#N)cc2)cc1Br 1635741887 MBKFILOYWLXGLQ-DNVCBOLYSA-N 433.302 2.330 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)cc1 1635875182 XTSXYCZFNIGVEE-NRFANRHFSA-N 443.569 2.090 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1637389942 NXEGEBVUXROQJH-FQEVSTJZSA-N 429.542 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 1637434882 OGAIFJPYJWZWDD-ULQDDVLXSA-N 425.526 2.343 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1639494294 ZUCUJDRSHKGMIS-INIZCTEOSA-N 431.260 2.306 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C)nc(N3CCCC3)c2)s1 1641987442 QIOOOXOZBBMVEZ-UHFFFAOYSA-N 434.587 2.375 30 10 IEEE Cn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2cc(S(N)(=O)=O)ccc21 1652451389 RRENBUKWIHPVPZ-UHFFFAOYSA-N 435.918 2.477 30 10 IEEE COC(=O)[C@H](c1ccc(Br)s1)N(C)CC(=O)N(CCC#N)CCC#N 1655373650 PSDCQNDSPPTOHB-HNNXBMFYSA-N 427.324 2.312 30 10 IEEE CO[C@@H]1[C@H](C)[C@@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1(C)C 1658697893 DPWGJLVWGAOQPX-NIKGAXFTSA-N 427.505 2.104 30 10 IEEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC[C@H](OC)C1 1659246157 HOWAKHJRSWMGFR-MOXGXCLJSA-N 425.489 2.019 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CC(n2cc(C(=O)OC)nn2)C1 1672708276 JDRNIGXTYOBXGE-UHFFFAOYSA-N 436.266 2.481 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)cc1 1672882406 GSFGEMPNQLQDEL-UHFFFAOYSA-N 430.306 2.261 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCC(=O)NCCC)c1 1689870291 JHQYCBZPVCGOIL-UHFFFAOYSA-N 445.527 2.313 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)ccc1N1CCOCC1 1689944645 XBYPHDDJLSGNAU-UHFFFAOYSA-N 442.539 2.290 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1689984642 RQCFAGJTOYJCNA-SFHVURJKSA-N 444.557 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1690011789 CYXIZCNDSIMPPC-GOSISDBHSA-N 427.512 2.385 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1 1690244253 VLYOTSLRAGFUOQ-YLJYHZDGSA-N 425.537 2.069 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690311655 QGSGDRHLEIOXLP-SFHVURJKSA-N 429.521 2.320 30 10 IEEE Cc1ccccc1OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1693283156 PJCNKNWEWUKVGH-UWJYYQICSA-N 447.536 2.400 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1695031283 GQUCPAPMGMGBEF-IRXDYDNUSA-N 426.521 2.428 30 10 IEEE CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1695457510 UQZMKWBUEKIPJM-ICSRJNTNSA-N 426.521 2.036 30 10 IEEE CNS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1 1697025164 CJEDHDGDNNGPNW-NRFANRHFSA-N 446.577 2.153 30 10 IEEE CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1697109414 CSCQWUVUGKCOKU-QGZVFWFLSA-N 438.532 2.468 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCCCO)CCO1 1698490599 DTDPRBJCVXZNTD-QGZVFWFLSA-N 431.562 2.403 30 10 IEEE C#CCCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1705522234 YYQDSYDTNMVCRO-HFMPRLQTSA-N 445.608 2.281 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCN(CCN(C)C)CC1 1705547414 GHBBZJNLSXROIH-UHFFFAOYSA-N 440.592 2.305 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1705563490 YSDDBKHXZPNYEJ-QGZVFWFLSA-N 432.546 2.005 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H]1OC 1705580437 JGYHKBLHKSXPCK-IEBWSBKVSA-N 440.573 2.126 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CC2)CC1 1705642930 MRGPYOJZUWKGHL-UHFFFAOYSA-N 436.343 2.444 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1705877799 DQAMGSFGILGEOS-CVDCTZTESA-N 425.533 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(CS(C)(=O)=O)CC2)C1 1705923066 YNKJWBKJYXBEEC-QGZVFWFLSA-N 431.562 2.255 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccccc2)CCOC1 1706678091 BRVJIYORWHODCK-KNQAVFIVSA-N 427.505 2.126 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1710238369 FSRQDJCLCQWUSZ-VQIMIIECSA-N 430.578 2.170 30 10 IEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1F 1711815310 HQPKLEWTCCZHSX-HOCLYGCPSA-N 435.525 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](OCC)C1CCCC1 1722384912 ZONWAQRNAVILRO-UXHICEINSA-N 432.590 2.238 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCc2c[nH]nc2C)CC1 1722441670 NKAHOFFUNCPTBN-UHFFFAOYSA-N 449.559 2.285 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCn2cc(Br)cn2)C1 1722711895 IZLPRFONIYSLLI-INIZCTEOSA-N 447.341 2.119 30 10 IEEE CC1(C)COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1724032447 RBGUXMOEXPBYJD-NRFANRHFSA-N 443.483 2.406 30 10 IEEE CC[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1727834262 ZMMSDPJADMOUPV-UAFUQJIBSA-N 428.537 2.152 30 10 IEEE CCCOc1ccc(Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 1728220959 AZVFHGDKHPSSNS-KRWDZBQOSA-N 447.547 2.449 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OC)c2OC)CC1 1740697663 BQBGZFHEKHUMPU-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccsc2)CC1 1740833941 ZLYCDLFZFXTPHQ-LIRRHRJNSA-N 439.607 2.260 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(COCC)n1CC1(O)CCS(=O)(=O)CC1 1740923957 AMLUWSNUJAAQJL-UHFFFAOYSA-N 440.591 2.008 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740961291 SJCLXVIXARJDGY-UHFFFAOYSA-N 438.576 2.486 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC)CC2)cc1 1740967093 WMJACTROIPSIFT-UHFFFAOYSA-N 433.516 2.415 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@](C)=O)CCC2)CCOC1 1741724660 SOGQBUQXROAPAB-PVVWJBENSA-N 439.557 2.062 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1747675654 QHHIBGQXAWABMI-IBGZPJMESA-N 438.532 2.425 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC(C)C 1748650248 ZERJNYRDWOFGKV-AWEZNQCLSA-N 441.504 2.332 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1748717790 IPBCNCFVYMOWAJ-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1748730571 NVCZHYIGUQODKF-OALUTQOASA-N 429.565 2.254 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C1CC1 1748751347 GINUJSHGSNGHQJ-SFHVURJKSA-N 449.602 2.255 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(F)(F)F)c1 1748844305 QYZCTFGNZLLRDS-KRWDZBQOSA-N 431.418 2.291 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCn1cncn1 1748915457 UIDIZBJOTBREME-UHFFFAOYSA-N 430.310 2.467 30 10 IEEE C=C(C)Cn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@@]1(OCC)CCOC1 1749207113 BXAAQAWODPHVTB-HXUWFJFHSA-N 447.565 2.213 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749220682 NQVUSEGJHUNKJV-IBGZPJMESA-N 438.532 2.319 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749251875 LJFURJGVMJOHDQ-IAGOWNOFSA-N 427.977 2.444 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCC[C@H]2CO)CC1 1749318025 ZISDSZZLDKPMTD-ACRUOGEOSA-N 433.597 2.395 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749459413 JEVWTELNSVGLRS-FQEVSTJZSA-N 431.581 2.431 30 10 IEEE C=CCn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1[C@]1(OCC)CCOC1 1749646401 QLTHCWNZDLQEFQ-NRFANRHFSA-N 428.493 2.351 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749751563 YXDKQNBAFQKAFV-IBGZPJMESA-N 441.605 2.002 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1751353674 WXRXLUVQQLDLBV-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE Cc1cc(C)cc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1751405118 BVJVYXJZINFBRO-SJORKVTESA-N 434.566 2.180 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCOC[C@@H]3C)CC2)c1C#N 1751827292 HMNFHWNSJZPMCV-FUHWJXTLSA-N 440.596 2.488 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760185200 RWANBYBDRJVTDV-AVRDEDQJSA-N 440.525 2.073 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760189819 MBZMEBOGCJNZCC-QGZVFWFLSA-N 428.489 2.276 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCO[C@@H](C)C1 1760205421 AXRZSCXGDUYIFS-REWPJTCUSA-N 449.555 2.364 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H](C)C1 1760226304 BBFZSONEYCXIGA-MSOLQXFVSA-N 445.589 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1760267657 VKDAZRKAFODXRY-SFHVURJKSA-N 432.528 2.209 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1760333497 GHZQQTUTWYFRNO-LBTNJELSSA-N 433.944 2.234 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc([C@@H](C)OC)n2)CC1 1760381820 BCJMQBWOLKLXIK-ZIAGYGMSSA-N 440.595 2.257 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1760400595 HOKCXBHCDANFIN-GOSISDBHSA-N 441.532 2.060 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CSCCS1 1760500770 WNWNGNSEJVXIRQ-HNNXBMFYSA-N 434.591 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760519889 SSHSHCAXGYDQAI-FQEVSTJZSA-N 449.559 2.252 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1 1768301890 CMJNHWQSQUQRSG-UHFFFAOYSA-N 444.561 2.215 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)C1 1772792124 HCMARODUNVZMGU-AWEZNQCLSA-N 428.466 2.475 30 10 IEEE CN1CCN(c2cc(Br)nc3c2N(C(=O)c2ccnc(C#N)c2)CCC3)CC1 1848822969 QLQXXYLUWOBZRP-UHFFFAOYSA-N 441.333 2.456 30 10 IEEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1850067499 YGOSVPRRVUKBMA-OAHLLOKOSA-N 429.995 2.018 30 10 IEEE COc1cccc(CN2C[C@@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1850898047 BRWOJHWNWFHREE-NRFANRHFSA-N 447.539 2.343 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CO2)nc1 1851325265 DNZHUAWAVHAIJV-DZGCQCFKSA-N 430.823 2.462 30 10 IEEE N#Cc1ccc(CCC(=O)OC[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1 1852198266 TYRRNMGQUBRNDN-QFIPXVFZSA-N 426.538 2.376 30 10 IEEE C=CCN(C(=O)C1CN(S(=O)(=O)C2CC2)C1)c1nc(-c2ccccc2)ncc1OC 1853313821 POLLSTAUDINURP-UHFFFAOYSA-N 428.514 2.095 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1853679059 BNHPUAVUBYKYQI-IBGZPJMESA-N 435.521 2.133 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)C2=O)CC1 1857373047 IRCAVURZDCKGFV-FQEVSTJZSA-N 431.558 2.135 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 1870143202 BQXTZTMYPTXFAL-UHFFFAOYSA-N 426.458 2.080 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)cc1 1874306646 JEGABISARPFQOA-FSJBWODESA-N 439.497 2.230 30 10 IEEE COC(=O)Cc1cc(CNCC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1C 1887551745 HRBZDBOROPKTPH-UHFFFAOYSA-N 433.354 2.441 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1890812612 PGEOKHYMUSQTIQ-OAQYLSRUSA-N 443.544 2.474 30 10 IEEE O=C(N[C@H](CC[S@@](=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1892260001 LVRMCUJHHZQIBR-UKPGIYTDSA-N 441.505 2.113 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1908524542 UBPDGOUHFMBMET-OWCLPIDISA-N 440.541 2.060 30 10 IEEE C=C(Br)CS(=O)(=O)N=S1(=O)CCC(NC(=O)OC(C)(C)C)CC1 1982285924 DBMWBJCZVWNVNX-UHFFFAOYSA-N 431.374 2.380 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2010034417 WFYQQXAKOGBKML-FDDCHVKYSA-N 429.517 2.139 30 10 IEEE COc1cc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2[C@H]2COC(C)(C)O2)ccc1C 2033814596 WUUWCHDRLBOBAZ-HIFRSBDPSA-N 431.470 2.417 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 2054340580 CISPQMVHYXQKQG-BBRMVZONSA-N 439.372 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060624834 COGGJIGOPVFPLB-IAGOWNOFSA-N 432.326 2.464 30 10 IEEE CC1(C)OB(c2cc(Cl)ccc2C(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2247779460 UHZCAGFNIOITHZ-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2247822210 CPVLEDUATDFMSL-GFCCVEGCSA-N 439.343 2.031 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441352 LPAZKSSDEGDBCU-CHWSQXEVSA-N 437.371 2.219 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC12CC2 2255713242 YEPGNPTYUHRRQI-INIZCTEOSA-N 431.342 2.443 30 10 IEEE Cc1ccnc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824177 CJQRXMCYLZAWRM-LSDHHAIUSA-N 431.342 2.332 30 10 IEEE CN(C[C@H](O)CN(C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2256022507 LUMQTABPHLQPID-MRXNPFEDSA-N 435.374 2.232 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267108157 UFVPOLQKWABKDV-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)c1ccco1 2267140801 FYYOUESEVRWUJB-CQSZACIVSA-N 446.313 2.298 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2CC[C@H]21 2267140869 UEKKEBASIZUMAM-IJEWVQPXSA-N 446.357 2.227 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267145231 FBBWRLDVMRIROE-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CCN(C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267152327 PBMNTKVEAKBPQY-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267162125 LJTKEXYZRAKKDD-GDBMZVCRSA-N 446.357 2.199 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267178790 HFTHONNFDVWQAB-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2267183009 CNSIDXNIRKDSEP-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2267234270 TXJFXFIAQDCKLB-MRXNPFEDSA-N 448.369 2.252 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267498355 JQXSVNJVSVRMTO-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267620957 PWGMCMVQCGWKLE-MSOLQXFVSA-N 446.353 2.398 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@@H]12 2267696805 HPBCBGOXJMJIQO-HZPDHXFCSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268704874 CHTDLPBYQYTXTO-ZBFHGGJFSA-N 447.341 2.249 30 10 IEEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1 2315404189 RNHVKKXFKBBYRA-HNNXBMFYSA-N 436.314 2.134 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2342889303 QQFOQXIEOJFTHV-DLBZAZTESA-N 447.385 2.362 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)c(C)c1 21315658 HNAASSFHJJVYOZ-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 111047867 DRWBMFRPZNTNMU-LJQANCHMSA-N 442.516 2.166 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cccc(N4CC=CC4)c3)C2=O)cc1 460371300 GOSGOCJGRNTHQQ-NRFANRHFSA-N 429.480 2.456 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 463302124 GNQAHCNIJQCYCF-UHFFFAOYSA-N 442.470 2.100 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CC1 478860620 UGSKMBGAQAODDP-UHFFFAOYSA-N 434.521 2.417 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H](CO)Cc3ccc(F)c(F)c3)C2=O)cc1 479777600 WIGATSSLBJHASF-LAUBAEHRSA-N 442.466 2.482 30 10 IEEE COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@@H](C)Oc2ccccc2C#N)cc1 487257323 CVROEGJXFJOTPT-MRXNPFEDSA-N 431.514 2.255 30 10 IEEE CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 490423016 QNSFLZJPQMKPMY-FCHUYYIVSA-N 434.606 2.121 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](Cc3ccccc3OC)C(=O)OC)cc2C1=O 502373059 ZZUQSUWZLGNNFU-QGZVFWFLSA-N 436.464 2.239 30 10 IEEE CCOC(=O)c1ccc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)nc1 505753536 UVYOUDOQTAZIBJ-QFIPXVFZSA-N 430.505 2.169 30 10 IEEE Cn1c(CCC(=O)N[C@@H](C#N)C2CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 505938229 LIQIOFFQPUWOGK-SFHVURJKSA-N 429.546 2.099 30 10 IEEE Cn1c(=O)nc(O)c2c(C(=O)N3CCC(C)(C#N)CC3)cc(-c3ccc4c(c3)OCO4)nc21 509371676 YKJWRVWELMSZHW-UHFFFAOYSA-N 447.451 2.196 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 510354330 OYWOLYKRQOBOLC-UHFFFAOYSA-N 433.862 2.002 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C[C@H](C)C#N)C3CC3)CC2)o1 532820032 UIUYPWXGFHZAPS-CQSZACIVSA-N 437.518 2.008 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 533148827 LEYSCMZINBIUPX-UHFFFAOYSA-N 443.554 2.261 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 534129250 VOXLQAYIWUYYSO-KPOBHBOGSA-N 446.960 2.440 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)CC2)n1 546891606 MPGGHOMKFTXYNZ-UHFFFAOYSA-N 431.399 2.315 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(N4C(=O)N[C@@H](C)C4=O)c3C)CC2)o1 567803428 DFKNFKDGLYQQDU-ZDUSSCGKSA-N 436.472 2.463 30 10 IEEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@@H]2CCCO2)c1C 590051717 KOHJVANRYAFOQY-IBGZPJMESA-N 445.544 2.487 30 10 IEEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 609917697 XWGKQQJUDUCFMJ-INIZCTEOSA-N 431.489 2.306 30 10 IEEE C=CCn1c(Cc2noc([C@@H]3CCCN3C(=O)c3ccccc3)n2)nnc1N1CCOCC1 685260615 LKYHCKVEJSEBNM-SFHVURJKSA-N 449.515 2.252 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(C)C)cc1 733201685 XLMBDAHECVPNBQ-IBGZPJMESA-N 430.574 2.497 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2scnc2C)c1=O 743725623 VZJHYHPRVBQBCT-UHFFFAOYSA-N 438.578 2.248 30 10 IEEE Cc1c(C#N)c(NC(=O)CCN2CCN3C(=O)OCC[C@@H]3C2)n(Cc2ccco2)c1C 764419737 QOTAPBYUBXTGKO-QGZVFWFLSA-N 425.489 2.473 30 10 IEEE Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767635066 GEHDEEBHNSHKJM-CQSZACIVSA-N 425.466 2.441 30 10 IEEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(OC(F)(F)F)c1 784140727 NKHVPGXYFJPVOC-HNNXBMFYSA-N 442.463 2.218 30 10 IEEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812434657 WAZSPOXTHIYXAJ-QZTJIDSGSA-N 432.546 2.351 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 920082567 MDJOBFIYCPOKNO-LGMDPLHJSA-N 444.516 2.270 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cn1 1084351712 XXXMWVVPSQPSBN-UHFFFAOYSA-N 442.505 2.381 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCCCC3)nc2)s1 1141730576 IXZYSHNLYUAUOK-UHFFFAOYSA-N 434.587 2.457 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1155309140 HBZLNCVGSBTGRW-XVNBXDOJSA-N 428.844 2.295 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 1163652399 QUKUFNCQYWZMIW-QGZVFWFLSA-N 439.497 2.395 30 10 IEEE N#CC1(C[C@H](O)CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCC1 1167654070 WAQXRHUDEUYJHH-SFHVURJKSA-N 435.366 2.450 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F)C1CCOCC1 1192786317 CRCZPJCSACKEGH-OAHLLOKOSA-N 448.310 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CO1 1251384552 FHFPCVAWGZBNFT-SFHVURJKSA-N 443.504 2.469 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCN1C(=O)S/C(=C\c3cccnc3)C1=O)C2 1254481246 LOOAQOCRLUSESV-JVBNVIDGSA-N 433.493 2.456 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1254641289 HBHHZGJACADFRG-QFIPXVFZSA-N 432.613 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCNS(=O)(=O)Cc1ccon1 1286282552 NGQDNACPMCRMMJ-INIZCTEOSA-N 442.545 2.073 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1286283508 VPDMGXPDYHWISJ-GFCCVEGCSA-N 425.411 2.099 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(OC)C1CC1 1286376647 MYPDBHOTZCPLJF-VGOFRKELSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286391153 GKLFMDVWTHDDID-GOSISDBHSA-N 448.614 2.252 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286407260 SBQAURCHTMJZGY-NRFANRHFSA-N 430.512 2.276 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1286450775 KULHPDMMHHKITJ-FCQUAONHSA-N 448.527 2.460 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC[C@H]2C)n1 1286470744 CDYUMJVQOJXRIO-SFHLNBCPSA-N 442.564 2.285 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCOC(C)(C)C2)CC1 1286482460 RMTZCKREROKHBF-UHFFFAOYSA-N 436.604 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2cccc(C)c2)CC1 1286490047 GMIDTADDHRAAMK-NQIIRXRSSA-N 448.571 2.307 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1286671606 UZJHZJBVQMCCJD-KRWDZBQOSA-N 429.569 2.216 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1286758043 BKCYYWCZBBTRQJ-LJQANCHMSA-N 431.562 2.146 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)C1 1286814391 RGWRDMHGRGQPAS-VQTJNVASSA-N 443.523 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286820363 KDYNHAWEUFCPBJ-GUDVDZBRSA-N 438.594 2.026 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1298499175 CCMGZBRTKXZMPH-XMSQKQJNSA-N 441.557 2.159 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 1298839702 RPWAOAGBNPIVSN-WMZOPIPTSA-N 443.610 2.202 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300412495 BBGLDXFVVUVOPP-NFBKMPQASA-N 449.603 2.056 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC1CC1 1300647512 DDLDQMZCGASHEH-LJQANCHMSA-N 425.508 2.477 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300980670 LHBGHPGOKCKEEV-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)(C)C)C1 1301509374 GPXXRNGADWVEFC-HNNXBMFYSA-N 430.578 2.444 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCC2)CC1 1301520542 IBNALAYPRCLWIU-UYAOXDASSA-N 430.597 2.173 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)cc1 1301527533 YNDIOKPQCCMACH-UHFFFAOYSA-N 425.533 2.139 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1301555644 XLKQZSAGPMKXIS-KGVIQGDOSA-N 429.496 2.057 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@@H](C)[C@H]1C 1301593653 RWAAGYIXWMRXNH-SJORKVTESA-N 438.623 2.071 30 10 IEEE Cn1cc([C@H]2CCCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)nn1 1305206172 AKUKDLROLMKBEA-IEEPAPPKSA-N 428.537 2.308 30 10 IEEE N#C[C@]12CN(C(=O)NCC/C=C/c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1313073106 DFJPWUIPUIRRBF-CVUUGQDJSA-N 438.347 2.432 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1315739190 AWELORQHCMYKIS-RLFYNMQTSA-N 437.504 2.241 30 10 IEEE COCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315767165 OLQQWHHWCZVXFK-UHFFFAOYSA-N 433.516 2.471 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1COCCO1 1316100879 CABWMDGDEKZVSY-SFHVURJKSA-N 438.488 2.382 30 10 IEEE COCCOCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1316255423 NKGNGWXNUSXDPL-UHFFFAOYSA-N 430.509 2.189 30 10 IEEE C#CCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936494 OVHIQDQGHLDIMZ-IXDOHACOSA-N 444.536 2.103 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359043283 OQQBZBYWSHHPCR-QZTJIDSGSA-N 438.576 2.453 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1359060845 JLMAELVCZHWMRU-UHFFFAOYSA-N 443.548 2.469 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCCOC)CC1 1359103199 LQSVITPSNQMPGT-AVRDEDQJSA-N 447.580 2.014 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359165348 MWIRNRXFJBDVPL-DYESRHJHSA-N 434.562 2.454 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359455118 GNIKKZUGGFLYJL-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359455804 BTCMPEYFUUGQTC-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1360474767 VKPGJOFCHBXZDV-INIZCTEOSA-N 449.515 2.103 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)C(=O)OCC 1438402896 KCJXZRURMMFKOB-GFCCVEGCSA-N 431.779 2.224 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 1442499128 VHUZIXXPFOSZQK-UHFFFAOYSA-N 434.290 2.244 30 10 IEEE N#Cc1ccc(OC(=O)Cn2nnnc2-c2ccccc2)c(I)c1 1459670258 WTZXZPVYRNPEOJ-UHFFFAOYSA-N 431.193 2.422 30 10 IEEE COC(=O)CN(CC#CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)ccc1O 1459685349 LKZPCDCDLBPRSI-UHFFFAOYSA-N 426.856 2.320 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1461988732 IWUPMASHZYAIHB-GOSISDBHSA-N 426.542 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)C(C)(C)Oc3ccc(C#N)cc3)nn2)C1 1462660832 JGWXWNZRLWDSHI-UHFFFAOYSA-N 440.504 2.415 30 10 IEEE N#C[C@@]12CN(C(=O)[C@H](Oc3ccc(F)c(F)c3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1463001029 YFOSQGWNLHWKLO-DLVCFXQMSA-N 432.448 2.482 30 10 IEEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1470618769 XUZODIVDDGZGKI-OAQYLSRUSA-N 438.553 2.498 30 10 IEEE N#Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C1CC1 1471552371 JNBGIKAWQLIBOS-MISYRCLQSA-N 429.542 2.484 30 10 IEEE C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)C1=O 1475242327 NJJAXPMSEZOVQM-UXHICEINSA-N 449.573 2.226 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1479432308 HCIOPMGLCNLCML-GUDVDZBRSA-N 430.505 2.275 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1507516562 LHNHVSQONPPQRQ-SJORKVTESA-N 445.589 2.477 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507623871 YQCRFYOOSAHQOV-LJQANCHMSA-N 435.638 2.324 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](OC)[C@H](C)CC 1507663951 DMLVXINDSIJACT-WIYYLYMNSA-N 432.532 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1507668060 WJFZMQJHTKYHMW-UHFFFAOYSA-N 425.558 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)COC)CC1 1507734144 HKWOTNBNPROZRG-QGZVFWFLSA-N 425.533 2.202 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507755885 WWKIBYSEXKJMPA-GOSISDBHSA-N 432.638 2.339 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 1507798004 FQEHHSVDXVUHOH-YLJYHZDGSA-N 427.553 2.142 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1508012978 LCDHAHTVVLPMOW-QUCCMNQESA-N 440.596 2.044 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCC2)nc1 1508425643 AZANNBDHWPTYAE-GOSISDBHSA-N 436.564 2.430 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1513754528 HRRDIZLASCFLJL-INIZCTEOSA-N 446.559 2.390 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1519436179 NTWGGPHHGHXFME-SFYKDHMMSA-N 438.532 2.279 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(c3ccccn3)=NO2)c1 1527211460 LNVMFYQYVWECRX-LTXLMFNASA-N 427.486 2.026 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)CCCN(C)C(=O)c2ccncc2)cc(OC)c1OC 1528058171 DPAALGKPPGOFDB-QGZVFWFLSA-N 426.473 2.341 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C2CC2)n1 1531569441 KBUJERFPRHBICP-UHFFFAOYSA-N 440.525 2.400 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(CN2CCOCC2)CCCCC1 1538963775 TYCRYOKOCZXOGF-LJQANCHMSA-N 430.597 2.157 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539116726 QPHYSNRDEIRKEA-SFHVURJKSA-N 430.578 2.170 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539205564 IWCLZMRYPLFJSC-GOSISDBHSA-N 446.573 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N(CC)CC 1539266884 UQHZCYCPCACOST-HXUWFJFHSA-N 434.592 2.255 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1539376076 NQZAONNXSBJVSU-UHFFFAOYSA-N 448.619 2.250 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN(C)c2ccccc2)CC1 1539427595 DMCGNFPDBNXENJ-UHFFFAOYSA-N 437.592 2.088 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1540880721 ORCSTWZQCGUSMK-SJLPKXTDSA-N 434.562 2.264 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)C(=O)OC(C)(C)C)C1 1540883209 VZAXTFZSTMFWQM-MRXNPFEDSA-N 436.557 2.065 30 10 IEEE Cc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1542349648 IVQSAZBAYJQZKE-JPWUFHEYSA-N 428.518 2.315 30 10 IEEE Cc1nc(-c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)[C@H](C)CC#N)cc2)n[nH]1 1542889794 HYDKXGHMJKXEGY-OAHLLOKOSA-N 433.520 2.281 30 10 IEEE C[C@@H]1N(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1545139396 PAYIANXAFMPIAK-LZICOFPGSA-N 428.537 2.466 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1547771063 GDQQWAZIEOODKZ-GAJHUEQPSA-N 439.564 2.465 30 10 IEEE CCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1547968520 GVVUAYYAUHUHNR-DENIHFKCSA-N 427.505 2.106 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1555987919 UCVRFEZVVAMFGC-SJORKVTESA-N 430.459 2.203 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(NC(=O)N(C)C)cc2)s1 1556349178 PNZGWKIRVHSMJE-UHFFFAOYSA-N 436.559 2.165 30 10 IEEE CN(CC(=O)N1CCCC1)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1557687145 MSJBXGXQPPYZQN-HXUWFJFHSA-N 426.517 2.473 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1558227685 XUHHOUXKJFXJEK-LJQANCHMSA-N 441.532 2.018 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)C(=O)NCC2 1587926740 GFUYDEGQNQJNKB-UHFFFAOYSA-N 439.317 2.439 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1588612270 CYTACPNXDDAWAR-FQEVSTJZSA-N 432.528 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1589544026 DWYVNQOUQPSDFI-QRVBRYPASA-N 433.578 2.291 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1593827011 VFXRKFQHQWRGJY-DZGCQCFKSA-N 447.923 2.438 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594812185 CUIBCTMRGIZSTM-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595501515 WQLYMDWHENTOEP-OAQYLSRUSA-N 449.559 2.220 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595890318 PJOLDLRXMZSCCR-KRWDZBQOSA-N 436.603 2.420 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(F)(F)OC(F)(F)C1 1596699197 XDPWMENHUJDNJV-UHFFFAOYSA-N 437.415 2.330 30 10 IEEE C=CC[C@H](CO)CNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1598058724 YIOGXNRDWOMTLF-LZLYRXPVSA-N 444.391 2.343 30 10 IEEE CC(C)C(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1598080856 UWOMNAPCIKSKQW-LJQANCHMSA-N 435.532 2.172 30 10 IEEE COc1cc(OC)cc(N(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1619139495 CGKFXTTXOXKUMF-XUTLUUPISA-N 438.488 2.467 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1O 1620300030 QPQSRKVSXHGONR-NQIIRXRSSA-N 437.592 2.050 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)nn1 1622441602 SDBGWSUGRGFLHK-CQSZACIVSA-N 426.926 2.401 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccnc3[nH]nnc23)c1 1625035698 AYLBSAJKWJQAJC-JLPGSUDCSA-N 427.490 2.198 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N3CCO[C@@H](C#N)C3)c2C(F)F)CC1 1628105495 XTIUHZUEXHWVPI-ZDUSSCGKSA-N 440.451 2.152 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1629759657 GVIXRRFZTXCISY-OAHLLOKOSA-N 435.933 2.021 30 10 IEEE N#Cc1cccc(ONC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 1635506958 XEVOKJLJDYYBAI-HSZRJFAPSA-N 440.459 2.482 30 10 IEEE N#CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1636040910 RTRBVKCYBQOISO-OAQYLSRUSA-N 432.480 2.156 30 10 IEEE C=CCCSCCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1644664223 JIGRZWFLGJDJIO-PKOBYXMFSA-N 426.604 2.359 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C[C@H](O)CC3(C#N)CCOCC3)C2)cn1 1659839975 IZWZRJIABXOUFX-QWFCFKBJSA-N 432.565 2.239 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1671200066 ZPGXEOKXEPJTGE-KRWDZBQOSA-N 436.530 2.126 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNc3ncccc3C(F)(F)F)C2=O)cc1 1672352174 CXDMTWDJXUSQPZ-QGZVFWFLSA-N 446.433 2.484 30 10 IEEE C#CCN(C(=O)NCCc1cccc(C(N)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1676732579 JSBIACKLQKTJRL-UHFFFAOYSA-N 428.533 2.372 30 10 IEEE COc1ncc(NC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)cc1C#N 1680425763 DCJNRAPWTJKGCX-HNNXBMFYSA-N 430.262 2.429 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1690114650 BXVGIZADVAQIAS-KOSHJBKYSA-N 439.560 2.269 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1690236323 LJCPJANRKFLYCB-DCCYDQLOSA-N 446.596 2.281 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1690424570 SHUPXTYCIIHPMF-SFHVURJKSA-N 427.505 2.227 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690480247 DZQIKCGAJUQOSD-DLBZAZTESA-N 438.532 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1690671221 RADKHYONXCSBFR-FPOVZHCZSA-N 438.576 2.185 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccco2)C1 1690685222 YNAZPAHBQMZAQR-KSFYIVLOSA-N 438.488 2.207 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)c(OC)c2)C1 1690700269 PWOUXGHHAYLJIE-OALUTQOASA-N 446.573 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCCO1 1690718018 YLWYXTCRYMVBEL-GOSISDBHSA-N 449.533 2.459 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1694608880 ADSVXDKTVOAABB-AWEZNQCLSA-N 442.911 2.075 30 10 IEEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C)(C#N)CC2)C1 1696202452 QKPGXGIYDQROLF-ZUHIPDPLSA-N 433.553 2.062 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCOC1 1698058262 DAXKYTABFUJASG-KRWDZBQOSA-N 447.561 2.142 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1705527860 MSWXHTVTMXXSCV-UHFFFAOYSA-N 432.931 2.361 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1705612369 FUCYAVOJTDDNQD-HKUYNNGSSA-N 427.574 2.091 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCS(C)(=O)=O)CC1 1705635638 FIFFXWQQXDWZHO-UHFFFAOYSA-N 443.617 2.433 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1 1705655488 NFCYHSLSMLUIHV-INIZCTEOSA-N 434.587 2.188 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCNS(=O)(=O)CC 1705678348 XALQAWLMWJIRJB-JOCHJYFZSA-N 445.589 2.351 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705779875 AIECQVOZHHCQCZ-SJLPKXTDSA-N 438.642 2.411 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cccnc1 1705883677 RCUMZXPWXPQDBE-UHFFFAOYSA-N 445.527 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1705932706 YQPUWMSNMGHIOA-KRWDZBQOSA-N 444.536 2.412 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705944353 CUNDFRUMEUOOER-NRFANRHFSA-N 441.561 2.074 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1706747228 JTLXMJXHRYHGMC-WGLILOHCSA-N 437.479 2.273 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCO[C@H]1C(C)C 1710697792 KUSPXEWHOORARE-YWZLYKJASA-N 426.521 2.411 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1711240067 MGSWISDIPSKSMQ-DENIHFKCSA-N 427.505 2.149 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1722363536 AETIBORDKJDYRQ-RBUKOAKNSA-N 445.614 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccccc2)CCOCC1 1722369588 BQCIWUJVVRAXQF-UHFFFAOYSA-N 431.540 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(=C)C)CC1 1722442852 FLNGUFCWSWGYJG-UHFFFAOYSA-N 432.528 2.375 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722457917 SGIKEQZDRMWZHZ-UHFFFAOYSA-N 434.573 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1722469057 SMAXHWFEDWPRBP-RPWUZVMVSA-N 437.544 2.458 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1722672498 SBKZSGZRQIISBB-NRFANRHFSA-N 441.601 2.417 30 10 IEEE CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1723116741 CRYIKSGTIXSXOW-UGKGYDQZSA-N 427.528 2.063 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccncc1Cl 1730759902 NHSXCIQMTAHEMK-UHFFFAOYSA-N 440.895 2.389 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCCC2)CC1 1731012001 ZQLLLQHFFYCGIA-UHFFFAOYSA-N 426.546 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC(O)CC1 1740536188 ALDZFQZZCSVTII-AWEZNQCLSA-N 435.370 2.340 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740618888 LERFWXQDBLZULK-NLWGTHIKSA-N 444.557 2.454 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740685981 CCAXQXMXVIQVBQ-UHFFFAOYSA-N 440.548 2.217 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740714334 ZWBQZSKFWOZPBK-JOCHJYFZSA-N 441.557 2.188 30 10 IEEE C#CCSCCn1c(N(C)Cc2c(C)nn(C)c2C)nnc1[C@]1(OCC)CCOC1 1740724016 WMJSQPBHCLXVPZ-NRFANRHFSA-N 432.594 2.283 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740788511 UJJMOHPHJHEKNA-IRXDYDNUSA-N 443.614 2.265 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740958034 HJKBVWOWKCHXPL-CVEARBPZSA-N 432.550 2.165 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@H](C)C1 1740963924 AXNARLGOWBSTGT-LJQANCHMSA-N 426.565 2.307 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)C1 1740979743 CJTAIYRZQKEWJC-LJQANCHMSA-N 448.527 2.201 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)COC(=O)N2 1741005893 UVGGQRXEAZQCEX-UHFFFAOYSA-N 431.566 2.138 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCn3ccnc3C2)CCOC1 1741127314 ZMORKCOPHJOEQB-FGSXEWAUSA-N 427.553 2.374 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCSC1(C)C 1741675735 KIVBKLWPNIGGKQ-DOTOQJQBSA-N 431.610 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1748682634 ZHZKREUYALNBGV-MRXNPFEDSA-N 437.573 2.372 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CCCCC1 1748765782 UFWFZJWNIAOITH-UHFFFAOYSA-N 430.597 2.301 30 10 IEEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCC[C@H]1CO 1748793695 NGTIFTDHDHYSDD-QHCPKHFHSA-N 430.556 2.338 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1748918181 WRJQGVZOALEVRE-UHFFFAOYSA-N 448.936 2.166 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1cccc(C)c1 1748962154 BCGICHFXLQYKQI-QUCCMNQESA-N 430.574 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(CC)noc2C)CC1 1749019426 SRPAFLSSMOYWGC-LJQANCHMSA-N 426.521 2.003 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749023735 VNZDVRTWRBGPJM-MRXNPFEDSA-N 427.640 2.408 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OC)C1 1749222194 CCOXSGVPVUDZSK-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1749265310 PUEMOJBLRAVNBE-UHFFFAOYSA-N 443.939 2.295 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749451856 JEMLATSYIBTJEN-INIZCTEOSA-N 438.454 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CCC1CC1 1749667089 SOCATYWQYCAIHV-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1750592507 FFXVIQNMMHISDM-DXIQSLLYSA-N 448.637 2.431 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750855844 GJUFDSTYHRKJHA-OZNQOIHVSA-N 430.553 2.353 30 10 IEEE Cc1ccccc1-c1nnc(N2CCCO[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751672336 ZJZKQZXBMBRPFK-SLNYWTKHSA-N 436.516 2.395 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC[C@@H]2COCCO2)c1 1760125133 FTJXLHUZJIXUCG-OAQYLSRUSA-N 446.511 2.202 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1760158039 IEVMGSFDYIXIHS-UHFFFAOYSA-N 445.589 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)nc(N2CCCC2)c1 1760217577 HDTNICOJICGZAX-FQEVSTJZSA-N 431.544 2.044 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1760233399 MLCKYLSNSSTFLP-HNNXBMFYSA-N 428.514 2.443 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760251367 YOFKKHBDEFUVMS-QGZVFWFLSA-N 428.537 2.263 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C)CC2)CC1 1760251603 CXZJRKDGZHFFJS-UHFFFAOYSA-N 426.952 2.417 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CC1 1760255320 HIYGGHQEMYMUTN-UHFFFAOYSA-N 434.544 2.015 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1760260518 VXYGUFGLJYACMA-FCHUYYIVSA-N 449.603 2.068 30 10 IEEE C=CC1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760405051 QOBNWESXQBYOFF-UHFFFAOYSA-N 425.624 2.012 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760500497 LTVRGPDXOFGXET-OALUTQOASA-N 448.612 2.041 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCO[C@H](c2ccccc2)C1 1760523998 MQZOZKGGHRECIS-UXHICEINSA-N 425.533 2.442 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1760528045 QHGSGVKZCKTGOB-UHFFFAOYSA-N 448.980 2.195 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1760596626 ZMVLSIXENRQUNT-KRWDZBQOSA-N 437.548 2.270 30 10 IEEE CC(C)(C)c1nccc(CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)n1 1760722067 ZVLWTALGKYOUTC-FUHWJXTLSA-N 425.537 2.231 30 10 IEEE CC(C)n1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)O)c2ccccc2c1=O 1761192331 AHLOERPLGZAKMH-QFIPXVFZSA-N 439.495 2.449 30 10 IEEE CCOCc1nnc(N2CC[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766297471 GGQVNXPJPMENHS-KHOFPDMRSA-N 436.516 2.335 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1767097581 CKVJRTYBEWVZBJ-XMMPIXPASA-N 449.559 2.189 30 10 IEEE CN(CCc1nccs1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767292542 DKFNKWIBZHLWLO-ZPHPHTNESA-N 427.534 2.207 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c(N(CCC#N)CCOC)nnc2C(C)(C)C)ncn1 1767837204 ARXMMZFLZHUZAI-KRWDZBQOSA-N 441.584 2.443 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1767984797 FRKVJZVMHKBAQM-UHFFFAOYSA-N 440.548 2.458 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1769170729 DIGVQKWLIWASNX-QHCPKHFHSA-N 438.532 2.118 30 10 IEEE COC(OC)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1769691087 WFKJZFUBRUDPMM-OALUTQOASA-N 427.505 2.241 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1770335559 FHHNFOMGARXIOS-IBGZPJMESA-N 429.546 2.114 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1770335560 FHHNFOMGARXIOS-LJQANCHMSA-N 429.546 2.114 30 10 IEEE N#Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(Br)c1 1851730551 CGYGNMNOAJEJSS-GFCCVEGCSA-N 443.257 2.479 30 10 IEEE CN1CCN(CCO[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)CC1 1852231057 TZOCGLMNQFBETK-OAQYLSRUSA-N 443.569 2.044 30 10 IEEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@@H]1C 1854255581 DTGWVILPVUUHGE-MAUKXSAKSA-N 439.965 2.129 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCc3ccccc32)C(=O)C12CCCCC2 1854428946 LUWHREMKEDDWAH-IBGZPJMESA-N 429.542 2.334 30 10 IEEE C[C@H]1C(=O)N(C(=O)CC(C)(C)C(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854651471 VZXHEPYFJNUYMC-LBPRGKRZSA-N 431.436 2.285 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C(=O)O2)CC1 1856611575 GMSVGEFVMWLXIB-HNNXBMFYSA-N 445.419 2.232 30 10 IEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1870107281 BMURSERWIGFMKM-LJQANCHMSA-N 428.452 2.457 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)cc1CN(C)CCO 1870705033 BNDIGUQIXZVDDT-UHFFFAOYSA-N 435.908 2.138 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)CC1 1890409660 PNJJTYIWOQFTHK-UHFFFAOYSA-N 444.576 2.358 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NCC12CC(C#N)(CO1)C2)Cc1ccccc1 2010518011 ZDVOWYFHIWACFN-UHFFFAOYSA-N 428.533 2.202 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOC1 2010538314 DOEGLEQSJBUWLS-XXBNENTESA-N 428.533 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2060636240 VVDAFJBEABADDC-FPCVCCKLSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2060636507 YQMBMWUDVBQWNL-LSDHHAIUSA-N 442.337 2.391 30 10 IEEE CC(C)(C)OC(=O)NCC12COC(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)(C1)C2 2086117934 DRFGPLKWOABLAD-HLJPNSHOSA-N 440.544 2.297 30 10 IEEE Cn1nncc1C1(Oc2cc(Br)cnc2C#N)CN(C(=O)OC(C)(C)C)C1 2198831779 JXSXKQHSNMPIQN-UHFFFAOYSA-N 435.282 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CO)C1 2224079817 NFDBNVVGZSNALC-DOTOQJQBSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1CO 2224092692 IUKMQYCSYSGPAA-DOTOQJQBSA-N 433.358 2.093 30 10 IEEE Cn1cc([C@@H](O)[C@H](N)C#Cc2ccccc2Br)c(I)n1 2235735124 SPCMYPKBJCXVQR-CHWSQXEVSA-N 446.086 2.200 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCCNC(=O)OCc3ccccc3)ns2)OC1(C)C 2241476407 RUDQTUVVPNKHBJ-UHFFFAOYSA-N 431.323 2.099 30 10 IEEE Cc1ccnc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255629812 BEUCHDNFVIHDIP-UHFFFAOYSA-N 431.342 2.475 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255706823 OMUGZUGUBXTVEX-VXGBXAGGSA-N 430.232 2.250 30 10 IEEE Cc1ccnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255825351 XLYSIPFIRUROSH-UHFFFAOYSA-N 431.342 2.382 30 10 IEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255840498 NIULIQRIXMEGLQ-AGGWBTHJSA-N 449.382 2.380 30 10 IEEE COc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255953374 HWVDWCBENBSDEL-UHFFFAOYSA-N 447.362 2.178 30 10 IEEE C[C@H]1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)C(F)(F)F 2256036462 YKSZYZOQHAIWIH-LRDDRELGSA-N 427.276 2.461 30 10 IEEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256614879 PVWOXOADYOGSDB-KRWDZBQOSA-N 434.342 2.372 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2256619023 VJCWUKWLEMBQBS-ZDUSSCGKSA-N 442.268 2.088 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938062 PQYVNRIVYQCMGD-GOSISDBHSA-N 444.362 2.362 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267123715 FMORTDMNRFMVAM-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267176938 HHTLJMHUGNNOSY-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]21 2267192019 KWFGMMLRXPUSHI-MIFYACCESA-N 447.316 2.115 30 10 IEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2267482340 BSKYUMXHTSPJAR-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267592411 DOVQANKZCISFEX-CABCVRRESA-N 446.357 2.009 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267592763 OUZNKVYCBLBCRV-UHFFFAOYSA-N 444.341 2.001 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2310286405 TZGAMLSSUONISK-BURNTYAHSA-N 440.544 2.390 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CCCCN2C(=O)C(F)(F)F)[nH]1 2315392250 NDCUDXSAMUSPGU-HNNXBMFYSA-N 427.276 2.466 30 10 IEEE O=C(CCCN1C(=O)c2ccc(C(=O)C=Cc3ccco3)cc2C1=O)NC1CCNCC1 2328156014 MHUNOMYOUQSNAX-UHFFFAOYSA-N 435.480 2.420 30 10 IEEE CC#CCN(CC(=O)O)S(=O)(=O)c1cc(Br)sc1Br 2337770602 WOFCIGXTTKZVKH-UHFFFAOYSA-N 431.127 2.372 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339442124 BWSKKHBWCXBJDF-QZTJIDSGSA-N 443.353 2.322 30 10 IEEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(c2ccc(F)cc2)CC1 14160819 HUNXLHZWEPQDGM-UHFFFAOYSA-N 445.568 2.344 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1 20293004 PWAFMIKHKFTIFG-LVCXCXRVSA-N 425.518 2.416 30 10 IEEE CC(C)(C)OC(=O)N(CCc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCNC1 396443788 BNWBBNREQJWIME-KRWDZBQOSA-N 432.374 2.307 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(-c3cc[nH]n3)s2)CC1 431204092 RYQIPMUULVUFAC-UHFFFAOYSA-N 427.511 2.157 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccncc3OC)CC2)cc1 431891210 JNGXRNCMZMDANM-UHFFFAOYSA-N 445.545 2.251 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440377084 CANLMTYYWQTJCH-KRWDZBQOSA-N 425.510 2.062 30 10 IEEE Cc1cnc([C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C2CC2)s1 466118557 UKAUDHNJVJIOKO-SFHVURJKSA-N 445.570 2.490 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CS(=O)(=O)c3ccc(C)cc3)cc2C1=O 479276110 HVACZLIVUPYIIC-OAHLLOKOSA-N 426.494 2.369 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](CO)Cc3ccc(F)c(F)c3)C2=O)cc1 479777601 WIGATSSLBJHASF-UTKZUKDTSA-N 442.466 2.482 30 10 IEEE COc1cccc([C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)c1 487179630 IZWAKFCMLFPVLI-FCHUYYIVSA-N 434.496 2.451 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)ccc1F 488938933 LIAQOLXJWROZEL-UHFFFAOYSA-N 437.518 2.350 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)C2)nc1 490059552 HUXRBRZDAISRDO-SFHVURJKSA-N 438.509 2.021 30 10 IEEE N#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CC1 505921867 CDFJXPHNCCDGKC-BBRMVZONSA-N 426.336 2.268 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cc(Br)c(OCC)c(OC)c2)CC1 506279261 FKRBKAUERLODIA-UHFFFAOYSA-N 426.355 2.276 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)CC(=O)NC1CCCCC1 506895104 PCGLYTGBSSMBFF-UHFFFAOYSA-N 436.509 2.405 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C)CC1 508700711 TZAPFVQAKUYWAO-UHFFFAOYSA-N 436.516 2.078 30 10 IEEE COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N(C[C@@H](C)C#N)C3CC3)cc2)C1 513897966 BSZFNHUNTZZQIE-JKSUJKDBSA-N 448.545 2.416 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 517661176 NSEDULDVEMYSAW-MRXNPFEDSA-N 448.520 2.098 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)n(-c2ccc(F)cc2)c1C 532971919 NAFBNCWUPLZUFG-MRXNPFEDSA-N 432.521 2.410 30 10 IEEE C[C@H](C#N)CN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C1CC1 533595806 CEJBHDRHCIJNJE-QGZVFWFLSA-N 430.574 2.374 30 10 IEEE CC(=O)c1ccc(C#N)cc1N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 541064363 PPCZBAWRMRFDNG-UHFFFAOYSA-N 426.498 2.263 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(CCc4ccco4)n3C[C@@H]3CCOC3)CC2)c1 549649679 HYYOPBRMARUVAE-IBGZPJMESA-N 433.516 2.286 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c1 606426479 DJSNLBGULDRBPB-UHFFFAOYSA-N 441.553 2.433 30 10 IEEE Cc1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1S(=O)(=O)NCC#N 609029354 LCYLIOWNIMLHJA-UHFFFAOYSA-N 446.573 2.098 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cn1 609644343 LSOAXOZVLCQLHB-UHFFFAOYSA-N 429.274 2.079 30 10 IEEE CCCc1c(NC(=O)N(C)CCN2CCCS2(=O)=O)cnn1-c1cccc(C#N)c1 615268657 IMRLZKHYRBUHMK-UHFFFAOYSA-N 430.534 2.196 30 10 IEEE COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OCc1ccncc1 732417433 FADCTTUHANSIRY-QZQOTICOSA-N 437.456 2.317 30 10 IEEE CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732700502 HVIZGFACNYEEDA-PXNSSMCTSA-N 428.556 2.410 30 10 IEEE C=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OCC 734024607 NNTNJAMIDMDFEE-CQSZACIVSA-N 431.894 2.073 30 10 IEEE COC(=O)[C@@H](OC(=O)CSc1nnc(C2CCCCC2)n1N)c1ccc(C#N)cc1 740193999 NZPYBBHCFCAQMS-KRWDZBQOSA-N 429.502 2.461 30 10 IEEE C[C@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)Nc1sc2c(c1C#N)CCC2 745518148 HLMVABMVFMOKJS-NSHDSACASA-N 429.502 2.499 30 10 IEEE COc1ccc(CNC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1C#N 747211657 BEUVMPRGDMMZPG-UHFFFAOYSA-N 430.486 2.338 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 756886763 PBGUFKZNWBWVEW-JQHSSLGASA-N 428.489 2.293 30 10 IEEE C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(-n2cncn2)cc1 758319486 UUJQQTQGGGLWMA-ZVZYQTTQSA-N 425.493 2.387 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)C[C@H]2CCCC[C@@H]21 779256432 LIBWQQWBJJQRMS-NJAFHUGGSA-N 447.557 2.464 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CN2C[C@H](O)CC(F)(F)C2)c(C(=O)OCC)c1C 787364478 UTJXQZVMNNRAOQ-GFCCVEGCSA-N 446.472 2.216 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)n1 790104572 RAPAFAXSLSPPQH-JTHBVZDNSA-N 438.528 2.110 30 10 IEEE N#CC1CCC(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 799385968 LZFOJJAVPGYLEL-DQPZFDDXSA-N 431.514 2.070 30 10 IEEE CS(=O)(=O)N1CC(Cn2c(-c3cnccn3)csc2=Nc2ccccc2C#N)C1 803181853 MVFUQLMZFHLIJP-UHFFFAOYSA-N 426.527 2.002 30 10 IEEE COc1ccccc1N(CCC(N)=O)C(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1 803921631 FVXLLCLDLIQNIC-UHFFFAOYSA-N 439.443 2.189 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 805787048 ZNQGYGVDPYAWNM-FCHUYYIVSA-N 448.571 2.216 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 812186187 MTJRTMUQDVGYMV-ZWKOTPCHSA-N 448.568 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCc3ccccc3)n2C[C@@H]2CCCO2)CC1 812269164 OHJGQOKLDLUSGT-NRFANRHFSA-N 437.544 2.140 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN(CCOC)C(=O)OC(C)(C)C)cc1 1125155929 QDHHUGKCLUXBJS-UHFFFAOYSA-N 441.550 2.315 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 1125418465 HZKBJYDHTGKGGF-LJQANCHMSA-N 449.482 2.052 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)n1 1128570703 QXRVJBUMODHQKN-FQEVSTJZSA-N 432.528 2.321 30 10 IEEE C=CCn1cc(C(=O)Nc2cc(C(=O)OCC)ccc2I)nn1 1132447586 KVPSJICVFSZLFJ-UHFFFAOYSA-N 426.214 2.498 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1=O 1136612487 IWROQWZJQBZCBA-QGZVFWFLSA-N 443.500 2.285 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N[C@H](C#N)c1cccc(OC)c1OC)CC2 1136685822 KSPOUSJAGLOSEP-GOSISDBHSA-N 425.485 2.460 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c1 1137422913 NVSBFHFXOZPCBD-UHFFFAOYSA-N 445.472 2.284 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 1140183208 LXYJNGVJKXBHBZ-NLZINVLXSA-N 434.464 2.419 30 10 IEEE C[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1143727253 UUUAQOXXLGVXLG-FXAWDEMLSA-N 430.549 2.461 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1153739707 GDDYZINQCBNLIQ-HOCLYGCPSA-N 428.493 2.250 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 1157594970 XNZGOXSKIOZBHF-AWEZNQCLSA-N 438.431 2.037 30 10 IEEE C=CCONC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1158208856 UDGOBKXSLCHWFR-UHFFFAOYSA-N 448.261 2.196 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3occc3[C@@H]2C(=O)OCC)s1 1166768644 XPDAVUXQUXGCNK-GOSISDBHSA-N 438.527 2.037 30 10 IEEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)Nc1cc(F)cc(C#N)c1 1219799098 FLIAGQBMUHGBNR-IBGZPJMESA-N 428.464 2.407 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(c2ccncc2)CC1 1286402461 ZOJJOYCMQZYPJB-RUZDIDTESA-N 448.571 2.315 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1286450137 DCYAMBVJWAELEI-INIZCTEOSA-N 428.562 2.380 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286456252 OYCLTQYQXICKAE-QFIPXVFZSA-N 446.548 2.264 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2ccccc2)CC1 1286508409 MDZGZVKLTZLJMS-UHFFFAOYSA-N 439.585 2.255 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286823277 SQWKZJWUSIXHGU-QGZVFWFLSA-N 432.546 2.108 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOCC2(C)C)cs1 1290418735 XYDJAYBEMJRMES-HXUWFJFHSA-N 433.557 2.187 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C)C(=O)OC 1299179328 PGQQBYCVPXWGFM-SFHVURJKSA-N 430.482 2.099 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCCC1 1300286229 GKAIDUJUDGJMHQ-SFHVURJKSA-N 447.547 2.171 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1300419419 LHBCIXNHSQXDDZ-MOPGFXCFSA-N 428.581 2.335 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1300505678 FNGXRXGQTLUSKQ-IAGOWNOFSA-N 449.602 2.018 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccccc1)N1CCOCC1 1300540728 CKZQNGCSWCYSQN-DEOSSOPVSA-N 440.551 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1300728866 HWMHHEHJDXNWQO-SBUREZEXSA-N 441.601 2.447 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301148498 PNFMXMFCRYYOJD-VQTJNVASSA-N 443.640 2.436 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1301348419 AGUCZUPTMCOKES-SFHVURJKSA-N 445.589 2.145 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1301524956 FEOUABWWSPUQOV-WMZOPIPTSA-N 429.546 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@@H](C)C2)C1 1301543625 NQEJPZWIOBZUAT-TXTKFYIRSA-N 433.597 2.443 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1301606672 VRAPWNMOAMOIOY-UHFFFAOYSA-N 429.594 2.437 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1301635365 OSFXWKAULJGVFL-FQEVSTJZSA-N 449.559 2.179 30 10 IEEE N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1 1302561632 JYLXBXGLJPMBPY-QHCPKHFHSA-N 437.521 2.208 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CC(F)(F)F)CC2)c1C#N 1304730329 CPSDMGOFDGKOOW-HNNXBMFYSA-N 438.458 2.322 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(F)cc2F)c2nccn2C)c1 1304757676 RLNSHJURRGAXLK-LJQANCHMSA-N 444.463 2.129 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccs1)N(C)C 1305789202 CZZNZMUAWKWDTD-IAGOWNOFSA-N 445.593 2.290 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1315229620 UENCIVPUXGCBSV-XXBNENTESA-N 438.532 2.259 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1Cc1ccc(C#N)o1 1316180869 RWKCKUJFYAELOP-OAHLLOKOSA-N 442.520 2.010 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1316387660 NKUDYYAETRKMCD-VFNWGFHPSA-N 426.546 2.197 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1358882373 YSAWQOCADNIERS-SFHVURJKSA-N 431.544 2.115 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1358932097 YFWHDPRNWNYOAD-NRFANRHFSA-N 449.603 2.200 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CN(CC(C)C)CCO1 1358979609 RTUAEEUZLXQOQG-NFBKMPQASA-N 449.555 2.220 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC[C@H]1CCCCO1 1359023464 LIMCXWLTOUXUSN-QGZVFWFLSA-N 429.521 2.441 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359055577 JCQBEYBXKYPMPC-GOSISDBHSA-N 444.649 2.481 30 10 IEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1359151650 YGJFQILGHDURRL-KBPBESRZSA-N 442.948 2.039 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359213781 GRBVVNYSHZNGBG-AWEZNQCLSA-N 430.534 2.429 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359227030 RHEARGBICYOEDD-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1)C1CC1 1359251602 PVAUFSNJYMHFOF-SFHVURJKSA-N 443.573 2.133 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1359282603 IWEGUGNMHORYAJ-INIZCTEOSA-N 446.556 2.166 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)C[C@@H]1CCCO1 1359291158 GZZTWDBLSQRWLI-IBGZPJMESA-N 440.548 2.455 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC(N)=O 1359294143 LRQZZIVXNWPSDU-KGLIPLIRSA-N 430.578 2.134 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1359313819 RQBAPHRTNKFBRT-STSQHVNTSA-N 447.580 2.015 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)C1 1359314339 ZDQDTRDZADHJRT-JPYJTQIMSA-N 447.580 2.146 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1359323364 MWHLKLFJLBBINX-RBBKRZOGSA-N 439.608 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)C(C)(C)C1 1359326763 JBENKJROTFIZHL-MRXNPFEDSA-N 446.577 2.399 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359341423 WSOXRGMEVJQDAL-INIZCTEOSA-N 446.577 2.278 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1438642835 MYRDLXALWUTXLK-REBWPMHBSA-N 430.508 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1443891866 HXRGYBPKELAJHQ-JXALWOEJSA-N 440.544 2.106 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CCO2)cc1 1456479202 VFGHOJGHDKLLJT-KRWDZBQOSA-N 428.832 2.450 30 10 IEEE O=C(CCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 1458000654 BOTJBIQQWLWXNP-UHFFFAOYSA-N 425.397 2.462 30 10 IEEE CN(CCOCCN(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)OC(C)(C)C 1470195840 HDDGORCBWFUGQP-UHFFFAOYSA-N 442.520 2.282 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)CC2=O)cc1Cl 1471525341 HVJQECFBIUVWOI-SKDRFNHKSA-N 425.741 2.239 30 10 IEEE C#CCOc1ccc(CNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 1477965968 MYKQXBXZAMLSFQ-UHFFFAOYSA-N 441.553 2.492 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)COCCO1 1495736598 WBGLMBKAONLCBV-VGSWGCGISA-N 425.537 2.190 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)C(C)(C)C 1496695417 GOTZDHZTOJTVQS-AWEZNQCLSA-N 426.587 2.148 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2nccnc2C)CCOC1 1502687738 CGOJOBJGGZBENF-FGZHOGPDSA-N 425.537 2.401 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2ccncc2)c1 1507548796 CXCQADAXPXLAFM-UHFFFAOYSA-N 438.495 2.429 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCn2ccnc2C1 1507645799 LLYWWIDLHWXHJH-SFHVURJKSA-N 430.512 2.494 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(CCO)CCc1ccccc1 1507789635 GOSIGNJDJSRYPM-UHFFFAOYSA-N 448.365 2.351 30 10 IEEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCNS(C)(=O)=O 1507829495 ZVZOFWNCQHCMIH-UHFFFAOYSA-N 446.346 2.408 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC 1508006918 YBWGHOOVHVKMAM-UHFFFAOYSA-N 425.518 2.316 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccccc2C)CC1 1508085793 WJJGQKVCIYAPIE-UHFFFAOYSA-N 445.571 2.197 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508154395 WJLXIJYNGUIWNZ-GOSISDBHSA-N 439.593 2.493 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1509061257 LKBFBDATRPCHMS-JROKQLJMSA-N 428.537 2.181 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1 1509436625 SIZJWWGVQDRROQ-ROUUACIJSA-N 445.955 2.079 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(C(=O)OC)CC1 1519261911 UJXJELSLSSENNS-MRXNPFEDSA-N 434.541 2.220 30 10 IEEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)nn1 1529544170 PUHLCAUIDXCHKJ-MRXNPFEDSA-N 425.514 2.434 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CCCN1C(=O)OC(C)(C)C 1531288716 JIWNTIKCNGYJHZ-HXUWFJFHSA-N 436.534 2.063 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539218642 BQWZAPSNVQCQSJ-IBGZPJMESA-N 430.574 2.491 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539220560 SYVQOMMIOJZKKW-SFHVURJKSA-N 444.605 2.003 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539527148 VFOPNTMJKYICDN-SFHVURJKSA-N 434.587 2.155 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCSC1 1540052025 UXHURWNBMUVJGM-LJQANCHMSA-N 436.607 2.037 30 10 IEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1540859185 KXZNUFJTGWMGSH-ZWKOTPCHSA-N 437.548 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1540905574 SZNMRLJXLDKKFK-HOTGVXAUSA-N 441.598 2.181 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1541976327 LAVQPJMQHRZWQF-AVBTWRTFSA-N 444.923 2.279 30 10 IEEE CC(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1544094395 SMXZTMSXMNILBJ-ZACQAIPSSA-N 427.567 2.055 30 10 IEEE CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1S(N)(=O)=O 1544227334 HOYHBYXBVGYERT-CQSZACIVSA-N 446.916 2.413 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 1544536626 RPPIXDDLTCJBIJ-LJQANCHMSA-N 431.508 2.346 30 10 IEEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(=O)NC)cs1 1546387455 YIDJAVUMBWOKJS-UHFFFAOYSA-N 439.545 2.368 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1555794295 ARPILBDTPJOCNU-ROUUACIJSA-N 433.534 2.436 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)CC1 1556346680 HASLHQJORSJPPP-HSALFYBXSA-N 447.576 2.169 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)CC)cc2N)C1=O 1556439860 YMWQGJBZLLFKHW-HXUWFJFHSA-N 438.550 2.378 30 10 IEEE C[C@H](CC(=O)N1CCC(C(C)(C)CN(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1556670096 GVTXZBYCKMMIEI-MRXNPFEDSA-N 434.606 2.330 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC)C(=O)OCC 1561828710 WZHWHJDIERVKHC-AWEZNQCLSA-N 430.910 2.396 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 1565630078 RBOIPXYSRZYEHR-JZJYNLBNSA-N 440.481 2.338 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1566818612 FJEGSMRLCRVMEK-ZWKOTPCHSA-N 441.594 2.146 30 10 IEEE CN(C)C(=O)O[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1569299328 YBZBISISWIDCKW-INIZCTEOSA-N 435.322 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1587598629 CZYUSWDRBNNUAG-JKSUJKDBSA-N 432.546 2.245 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@@H]1CO 1587604283 VCXKRLLZZMASPQ-IEBWSBKVSA-N 425.533 2.369 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCCC)c1 1587921837 KMJKSVUILWZVEW-HSZRJFAPSA-N 425.533 2.188 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1588029019 CBNWVECCXIALPR-HOCLYGCPSA-N 437.591 2.240 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1588045890 SPECNIMJZONJJB-GOSISDBHSA-N 441.532 2.406 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2CCN(C(=O)OC)CC2)CC1 1588856969 GEHVXBUTOPBQOM-UHFFFAOYSA-N 428.581 2.244 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1)C1CC1 1595051212 VRLXEVLVGBHDNL-INIZCTEOSA-N 427.505 2.458 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1595239530 LZKGXHUWENXYFC-YVGXBJCXSA-N 427.574 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1CCOC1 1595489831 JJPKRXKVMOBUGE-CYBMUJFWSA-N 438.301 2.374 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCSCC1 1596813311 HYCUYRXSPRRNSR-OAHLLOKOSA-N 438.561 2.239 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1596949757 XLWVEOBCUCSJMU-SAABIXHNSA-N 432.542 2.167 30 10 IEEE N#Cc1cc(F)c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1Br 1612023154 DTFMGLFQDLHNAD-UHFFFAOYSA-N 447.312 2.413 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612863875 XTXSJTGAXLRBGQ-ANNUQZOISA-N 440.479 2.369 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1614338967 MDLMGUXJSHGAJN-QHCPKHFHSA-N 433.516 2.350 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc(Cl)cn2)CCO1 1620354733 CEGINRLQVUQRAY-CQSZACIVSA-N 433.850 2.426 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OCC 1622449969 GDSGTQNJRRPXTQ-IRXDYDNUSA-N 428.938 2.285 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1624178462 VCRBPGXOCWHZNX-SIIHOXLZSA-N 433.892 2.039 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc[nH]n1 1626020162 XOANSOVUDPMGAM-UHFFFAOYSA-N 432.330 2.412 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)s1 1628758587 GADWZSRGAXLKLK-YLJYHZDGSA-N 438.546 2.082 30 10 IEEE O=C(c1ccc2c(c1)COB2O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464435 ZJQHWSWJMJAENI-NXEZZACHSA-N 429.072 2.147 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1F 1639637744 FFZLEYCBSHCHSP-FQEVSTJZSA-N 430.457 2.274 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1 1639880194 GVHGMKQRSWWXAK-OAHLLOKOSA-N 445.463 2.437 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccccc3-c3ncc[nH]3)C2=O)cc1 1642444343 VNFMXFAVVPGFJS-IBGZPJMESA-N 428.452 2.470 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](Cc3ccccc3)c3nc(O)n[nH]3)ccc2c1=O 1642571397 FYULEKKJRQUHMZ-KRWDZBQOSA-N 448.508 2.409 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(CCO)C[C@H]2C)nnc1-c1ccc(Cl)cc1 1642574438 PPERYOFDRWLFRJ-OAHLLOKOSA-N 435.981 2.402 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@H]2CS(N)(=O)=O)n(-c2cccc(F)c2)c1C 1644166478 ACQOMFAPZLUMPA-SFHVURJKSA-N 447.536 2.186 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](c3ccc4cccnc4n3)C2)cc1S(=O)(=O)NCC#N 1645202310 RDRACNQVJFLESP-SFHVURJKSA-N 435.509 2.370 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC1 1659723161 KNSZBYJGSNXBBB-UHFFFAOYSA-N 446.595 2.161 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1664250558 CIYCTPDJPGFNGQ-UHFFFAOYSA-N 439.444 2.370 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2Oc2ccccc2)CC1 1670274529 LXIYQALGGACDAB-UHFFFAOYSA-N 442.541 2.082 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1689851780 VILFQKIRMLBELY-OALUTQOASA-N 448.612 2.429 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H](C)C1 1689949100 PYRNXJGBXTVCRM-QGZVFWFLSA-N 443.621 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCC(=O)N1CCCCCC1 1689998562 PWPNFKRTKZIPRM-UHFFFAOYSA-N 426.565 2.062 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)C2CC2)CC1 1690110230 DBWPBUZQSNUINT-DEOSSOPVSA-N 436.560 2.063 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CCS(C)(=O)=O)C1CC1 1690244241 VFQBRZOYNBSLKG-VQIMIIECSA-N 433.578 2.278 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)CCC)C1 1690245558 JWPICXWJKOOYFE-PXCRPINLSA-N 430.597 2.379 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690330390 FTXVLJLZEGCIDE-GJZGRUSLSA-N 439.948 2.329 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1690510035 QOLPGPJLYFKUGJ-UHFFFAOYSA-N 437.548 2.168 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690675331 XHZKLHSMUTZOBE-HXUWFJFHSA-N 438.576 2.266 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)CC1 1692849576 HDKGPMZZYDMCKK-UHFFFAOYSA-N 430.553 2.230 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1695275342 RCUJMJFHMYXDOJ-UHFFFAOYSA-N 441.536 2.007 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCN2CCOC(C)(C)C2)c1 1705504802 DYUBFONBUUIKMD-UHFFFAOYSA-N 436.560 2.323 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705516376 ZSJPKRFLSHKYQW-XUVXKRRUSA-N 431.581 2.343 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)N1CCc2ccccc2C1 1705572003 OBUWSLIJUQLKNI-HSZRJFAPSA-N 444.583 2.424 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1705633781 YMZJDFBKLXTBMU-UXHICEINSA-N 437.592 2.215 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705658510 RQSDEZCNPPYCRK-INIZCTEOSA-N 429.575 2.388 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CC#N 1705928106 LKYCTSIXNWSJCV-QGZVFWFLSA-N 444.561 2.486 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@H]1C 1708281350 FYLZKMCPODZKIX-HOTGVXAUSA-N 426.546 2.006 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1711355439 BPZCQVDDCPVJJQ-SFHVURJKSA-N 438.532 2.118 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1712419359 VORUNFZUVTZOSU-CBQGHPETSA-N 438.576 2.382 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1712453155 CYIWVUOOKIKPES-GCJKJVERSA-N 428.537 2.378 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722327728 HXLXRDJGOGOTAY-MRXNPFEDSA-N 432.322 2.072 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722339278 SAXYRZLARNQTJU-UHFFFAOYSA-N 431.562 2.047 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1722365169 LFHJAONXBYKGQP-OKZBNKHCSA-N 433.603 2.478 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722428822 KSHREWGPQBYRJF-MSOLQXFVSA-N 435.569 2.419 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722459517 LTCQJNSUJDBVDD-IBGZPJMESA-N 437.573 2.479 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1722638562 FZZKMNDAGJMZSF-UHFFFAOYSA-N 444.499 2.216 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCOCC2(CCC2)C1 1722701797 DYSCVKFSLBEOIU-UHFFFAOYSA-N 425.533 2.475 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](COC)C2)cc1 1722704302 GKNUEXWFVADVCH-IBGZPJMESA-N 425.533 2.486 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722709693 WDWBZSQQOGRHQL-QUCCMNQESA-N 446.596 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722752161 XDJSZDMXXAILAI-QZTJIDSGSA-N 447.605 2.473 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccco1 1722939764 ZAVJJEHFPVRBIB-UHFFFAOYSA-N 449.515 2.425 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H](C)C#N 1729222368 GCAXTMGNTWBDSO-HNNXBMFYSA-N 441.561 2.337 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740574567 MBSZXGQKZNVGPJ-MSOLQXFVSA-N 446.577 2.134 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740626052 VHWZQRIRYXBHML-KRWDZBQOSA-N 433.603 2.337 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740627922 UBWPOHIXIBNVNN-VGOFRKELSA-N 436.622 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)[C@H](C)CC 1740638034 GZGQLQROAYEAMM-LJQANCHMSA-N 445.571 2.478 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740726211 ZGWGUPKNFBODEQ-IIBYNOLFSA-N 431.562 2.132 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740758359 WWORAYTZGKUSQF-GGPKGHCWSA-N 425.537 2.021 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1740785881 HRFSDRBTPSPBCS-JOCHJYFZSA-N 427.553 2.240 30 10 IEEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)N1CCOCC1)C1CC1 1740913621 PXDPVBUIVHBFSY-UHFFFAOYSA-N 425.533 2.488 30 10 IEEE C=CCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949861 VNJRJXVWIOTZGE-GASCZTMLSA-N 439.582 2.248 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1741129418 DFXMKJCUXAPZNW-INIZCTEOSA-N 431.504 2.075 30 10 IEEE CC(C)CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1741534390 CNCRYOAAOZLMBY-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1745783834 ZOQFTNPCGGJXJC-UHFFFAOYSA-N 449.515 2.430 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1748686642 TWACTFMECIELMR-KRWDZBQOSA-N 444.967 2.133 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1748926047 PZAXELTYWRUGBL-INIZCTEOSA-N 428.541 2.029 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccncc1Cl 1748948256 JYYVEWUBSFMPTP-UHFFFAOYSA-N 425.880 2.108 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749031916 NKOWELGXJQDCII-AWEZNQCLSA-N 440.495 2.155 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749352741 UZEQBJKWSUKNCM-SFHVURJKSA-N 427.553 2.218 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1749677482 AGMWHGOGBGWPMD-UHFFFAOYSA-N 436.516 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C)C1 1749724625 KRTFZSFJPBWSAT-INIZCTEOSA-N 442.545 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749733794 CMTNIVLVOOTNSI-UTKZUKDTSA-N 440.610 2.242 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1NC(=O)CC1(C)C 1749824718 NJGNGXCQJUVFDY-KRWDZBQOSA-N 441.492 2.134 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1751092611 YDYVFBVSFQJTMK-LSDHHAIUSA-N 432.506 2.416 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c1C 1751326285 RJDMPMRAHWZTIS-MOPGFXCFSA-N 429.521 2.163 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCOCCS(C)(=O)=O 1760105541 FKKCJRVUQXEZEK-AWEZNQCLSA-N 440.953 2.126 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N(C)C)CCSC1 1760245301 YQFMNUCYLSBSQK-NRFANRHFSA-N 444.561 2.377 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCSCCCO)CC1 1760262047 GYTBLFNLLYMOKE-UHFFFAOYSA-N 435.544 2.018 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1760329715 ILISPJWHSHWFSM-QFIPXVFZSA-N 428.537 2.263 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760551020 QUVUWDVCOYIEAX-RDJZCZTQSA-N 441.598 2.317 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761025915 HVTHUZKYFUHWNX-VEGAHXMMSA-N 441.580 2.068 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1761580281 QQIWGDVLWHDJAG-JOCHJYFZSA-N 441.536 2.268 30 10 IEEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H](C(F)(F)F)O1 1763044824 WJIXKEKMIQVUBX-WFASDCNBSA-N 438.410 2.183 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC(C)(C)O1 1763089084 FBERXEZUIHVNOJ-WBVHZDCISA-N 429.546 2.255 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)COC)C2)CC1 1765542931 DSWPDBFUVOVWHE-UGKGYDQZSA-N 437.592 2.315 30 10 IEEE CCCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1765875806 ZEBZJFZWASIKMV-NRFANRHFSA-N 429.500 2.480 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1conc1COC 1766402103 TVADPCGGLNPOOU-UHFFFAOYSA-N 437.504 2.196 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1768742634 FVZLOCZOGNGQTN-UHFFFAOYSA-N 438.469 2.486 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1770340933 YMTBAHXMXKPTKO-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE CSCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1771463288 NGWZHYITGFSBNT-UHFFFAOYSA-N 449.602 2.497 30 10 IEEE Cc1cc(C)cc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 1851522558 WPIDURVVIDXRIF-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE CS(=O)(=O)N1CC(C(=O)N(Cc2ccccc2)c2nnc(-c3ccccc3)cc2C#N)C1 1851727620 LGUSLDOPPHYRIR-UHFFFAOYSA-N 447.520 2.440 30 10 IEEE Cc1ncn(CC(=O)N2CCN(c3nc(-c4ccccc4)ccc3C#N)CC2)c(=O)c1C 1852073361 JXBICGCHQPFWKL-UHFFFAOYSA-N 428.496 2.143 30 10 IEEE COc1ccccc1N1CCN(CCCNC(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1852180548 XYMXJMMCKJDMSF-UHFFFAOYSA-N 436.512 2.167 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1852395838 XPUCQPGCGTWACB-UHFFFAOYSA-N 449.916 2.132 30 10 IEEE CC[N+]1(C)CCC(N(CCn2nnc3ccccc3c2=O)C(=O)c2cccc(C#N)c2)CC1 1853428542 XENWDBFXYUZHMX-UHFFFAOYSA-N 445.547 2.434 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)c(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635250 BGHUHLXQFGVXSF-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@H]2C)c1 1854689629 JVIPUFBPMXINTM-QGZVFWFLSA-N 425.510 2.248 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1 1854716740 JUDZJADTPOMSQY-UHFFFAOYSA-N 425.510 2.080 30 10 IEEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 1856158804 YEMDVQNNPUFRJX-MRXNPFEDSA-N 437.949 2.114 30 10 IEEE Oc1c(Br)cc(Cl)cc1/C=N/NC(=S)NCCCN1CCOCC1 1860500024 BFUXSBHSESRSPL-VXLYETTFSA-N 435.775 2.328 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c1 1891621996 HPBBTHRQOHDWGO-UHFFFAOYSA-N 428.431 2.184 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1909081252 IBGCOQCHKPWHKL-CPBBTPEFSA-N 439.553 2.475 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2124523127 BTHBMILRAKHGQM-OAHLLOKOSA-N 449.361 2.388 30 10 IEEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243412235 ITKZZYUCRUSVPM-LBPRGKRZSA-N 446.400 2.239 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247840398 MFYQOZBFEYDOJU-OPAMFIHVSA-N 425.363 2.447 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254751169 JHQZXZUTWLQPLE-LSDHHAIUSA-N 437.321 2.106 30 10 IEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255616649 PWGZBLDCCUULAZ-AWEZNQCLSA-N 436.362 2.474 30 10 IEEE CC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)C1 2255628024 BVQYOSPKIBQFKY-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CON(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255809471 YDOSFNYUPWQHNR-UHFFFAOYSA-N 433.314 2.004 30 10 IEEE C[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1NC(=O)C(F)(F)F 2256892847 UEBQCXFUGYEQAQ-SMDDNHRTSA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]1CC2 2267139157 BWGWTLZINKUPQY-NUEKZKHPSA-N 446.357 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267173747 OYRCPKJVAIBEDG-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267185662 YNQGEFBYOJOFFN-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267188385 LKGVRSLMXZSOPR-FQEVSTJZSA-N 438.381 2.360 30 10 IEEE Cc1ccc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267219314 CJGXEHWHDXFATC-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE Cc1ccc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2267601326 TXICLLDXBCBEBO-UONOGXRCSA-N 438.255 2.282 30 10 IEEE CC(C)C[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267872219 HWLBRCCVLIKDSR-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268632484 KXYIHXDOKJYHTK-OAHLLOKOSA-N 446.353 2.151 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)n1 2268990361 KWYBQEODQZUEIW-SFHVURJKSA-N 440.305 2.089 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269068333 GWCNRTGBFFYNCK-KRWDZBQOSA-N 440.305 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2CCC[C@@H]21 2341941263 YXACNQNSZHZHAI-HOTGVXAUSA-N 446.357 2.323 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)c(OC)c1 20423999 GQLCVPASWHLGHV-UFWORHAWSA-N 430.494 2.041 30 10 IEEE CC(=O)Nc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(C)cc2)n1N 20918186 UMFPFNBMYANDNQ-SSDVNMTOSA-N 438.517 2.436 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 109942041 CHBGHGPWZREJRR-GOSISDBHSA-N 434.477 2.085 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3cccc(CNC(=O)CC#N)c3)cc2C1=O 219728595 AJJHPMSEPJBHQO-UHFFFAOYSA-N 434.452 2.101 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)n(C)n2)c1 238895931 RALFSNIGKBYCLJ-MRXNPFEDSA-N 448.483 2.450 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 446506470 FXMDCWFMUGCBFT-OBFZPWGMSA-N 445.589 2.150 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCCNc2ccc(-c3ccccc3)nn2)cn1 462103082 FAVFEHGYJSDQDW-UHFFFAOYSA-N 425.456 2.830 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C#N)c(F)c1 464650237 NCJSQEPKKZAYDY-UHFFFAOYSA-N 446.504 2.284 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC[C@H](O)COc2ccccc2Br)c(F)c1 480724000 UONKWDTURDMOAA-AWEZNQCLSA-N 443.294 2.319 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O[N+](=O)[O-])CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504231797 LURMPNRKWFDKMB-QCGJWGEISA-N 449.500 2.114 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H]1c1ccc(Cl)cc1 509138626 MBKSUMBAOLOKCR-ICSRJNTNSA-N 438.919 2.410 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CCO2)c1 512255209 XJEFZSKPPPWZDB-UNMCSNQZSA-N 434.496 2.321 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)nc1 512312234 GFRCYOONUJFQGC-AAIUUVCNSA-N 443.573 2.485 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 514961271 QCTQLIYLVLHEQH-UHFFFAOYSA-N 439.468 2.491 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1 522317538 RZAHDBRFKJVTCQ-CQSZACIVSA-N 439.354 2.148 30 10 IEEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 526929509 CPBHNIYFYNTFQP-UONOGXRCSA-N 446.495 2.004 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2C)c1=O 527277730 COHGXYFURXJSQS-UHFFFAOYSA-N 430.533 2.462 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2ccc(F)cc2F)CCOCC1 535514549 QRDVNCCBBCUFFZ-OAHLLOKOSA-N 427.455 2.412 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 540967216 STBSXIRRFUDEQJ-WMZOPIPTSA-N 447.902 2.202 30 10 IEEE C=CCn1c(Cc2noc(-c3ccc(-n4cc(C)cn4)cc3)n2)nnc1N1CCOCC1 545643490 RCCCEVZUUTZQAS-UHFFFAOYSA-N 432.488 2.436 30 10 IEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549275737 JINWESATECAXFV-UHFFFAOYSA-N 449.559 2.068 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)n1 553515295 MVACMCCYUGQJQR-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1=O 619843752 SRFVKQLVLJMRHE-GFCCVEGCSA-N 428.436 2.387 30 10 IEEE C#CCN(C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)[C@H]1CCS(=O)(=O)C1 729331262 AOLNHEUWEHCXOR-FQEVSTJZSA-N 437.521 2.484 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 733888806 FNINKMFPOMLXAG-HNENSFHCSA-N 426.454 2.436 30 10 IEEE CN1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCC1=O 738905483 XASATMVLKOSVTI-PDNPPFGYSA-N 435.550 2.022 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 744839158 HKLQGUPLCUXEJE-XLIONFOSSA-N 437.500 2.032 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C)c(F)c2)C1 760305587 TYTNGXXAOKQLON-GOEBONIOSA-N 435.525 2.006 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 792700392 QCGPHSKGIUWPCE-GOSISDBHSA-N 431.489 2.384 30 10 IEEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)cc1C 802351496 HHRVQEFGXAVWMR-IBGZPJMESA-N 434.500 2.295 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 806443750 BRIVEVPNVVHXDD-QGZVFWFLSA-N 448.495 2.192 30 10 IEEE COCC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 810166648 MCSFBRSHYJOWPK-BUVGWWEQSA-N 440.566 2.453 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(O)cc(C(F)(F)F)c3)CC2)o1 811310015 WZTKQQKZXCJEDG-UHFFFAOYSA-N 438.362 2.085 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 812933630 IOJUWBRBCIAQRF-LJQANCHMSA-N 446.460 2.124 30 10 IEEE CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c1 813984569 XGANIIBDQIJOIZ-UHFFFAOYSA-N 434.905 2.388 30 10 IEEE CCN(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)ccn1 856541000 AIDOCVUKLKYXST-KRWDZBQOSA-N 445.501 2.155 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)ccc1F 914659170 KBUUQGPUAJBNOP-UHFFFAOYSA-N 445.472 2.083 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccs3)n2N)c(OC)c1 1084181400 RHRQZNWWGVEBAH-UHFFFAOYSA-N 433.519 2.247 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1116553647 QHNRQYYLGOSVHM-BEFAXECRSA-N 436.306 2.020 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1135523016 HMSIXENCWFJSKA-MRXNPFEDSA-N 442.497 2.178 30 10 IEEE CC(=O)NCc1cccc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 1136200293 VDCXZUAOXWIPMO-UHFFFAOYSA-N 434.475 2.464 30 10 IEEE C#CCN1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)O)CC1 1150693588 OASZJJNFJFASSB-KOSHJBKYSA-N 447.535 2.052 30 10 IEEE COc1ccc2nc([C@@H](C)NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[nH]c2c1 1154998975 DGROJDRPHBIZEY-CYBMUJFWSA-N 427.486 2.173 30 10 IEEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1164312232 BDIILQIIAQCDMV-IPELMVKDSA-N 430.936 2.180 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)C1 1177698974 NZRIXVRNLGRJDQ-UHFFFAOYSA-N 444.509 2.412 30 10 IEEE C=CCC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1178198829 SBSARUXHWRFKQZ-MRXNPFEDSA-N 430.567 2.155 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1216724378 UWBRYGLLPQZQEF-SJORKVTESA-N 432.525 2.389 30 10 IEEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1C#N 1248576248 ULDDTTKYFQYIGY-UHFFFAOYSA-N 434.468 2.361 30 10 IEEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c(C)c1 1251295262 CCFAIFURJWEZAH-INIZCTEOSA-N 427.530 2.453 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cn1 1264176333 WBLWKNFYEAFROD-UHFFFAOYSA-N 434.887 2.044 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1286376262 IOSBFTYOYVEBEN-GOSISDBHSA-N 443.552 2.022 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1286608402 PNYIUDNCBNPPPC-UHFFFAOYSA-N 439.568 2.073 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286683629 WLAARHQXHXFDPD-GDBMZVCRSA-N 437.570 2.320 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1)C1CC1 1286738521 VYOHPQWQYZWLQA-ROUUACIJSA-N 449.552 2.157 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C)C1)C(C)C 1286750465 AZCGDNOREWOIDW-PMACEKPBSA-N 430.597 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCOC1 1286824393 CCNNRGIFWPNPAG-GVDBMIGSSA-N 426.583 2.023 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nccn2C(F)F)CCOC1 1288304913 IQKOGHJSBZVGRP-OALUTQOASA-N 439.442 2.401 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1291305454 DHHJOXIGKMOQJN-MRXNPFEDSA-N 426.521 2.259 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)Cc2sc(SCC(=C)Cl)nc2C)CC1 1292889755 LXKGZVKRFUOYEA-UHFFFAOYSA-N 441.022 2.122 30 10 IEEE CCN(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1295398743 FLFWIWQNRPTASE-KZNAEPCWSA-N 443.577 2.103 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC[C@H]2CCOC2)CCOC1 1296584645 KIMPFRFARMLKOI-DENIHFKCSA-N 433.553 2.113 30 10 IEEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)n1 1298847557 CYCCSXNQSSBISI-UHFFFAOYSA-N 436.520 2.053 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300267211 GDHDTROYQVJIKC-FPOVZHCZSA-N 438.576 2.256 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)C 1300578252 ACVPCNIYIZZMGA-HXUWFJFHSA-N 432.528 2.326 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](CC)OC)CC1 1300682236 IOFHVIHDABKFEV-IBGZPJMESA-N 444.967 2.042 30 10 IEEE C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)[C@@H](C)COC 1300717601 GMXWQZDIFXOQKL-HOCLYGCPSA-N 430.954 2.460 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1300848555 GVUSQAHSTMPOOT-UHFFFAOYSA-N 446.357 2.150 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 1300973252 WWYGMZIHKWKEET-UHFFFAOYSA-N 431.562 2.309 30 10 IEEE C=CCCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1301234228 GGZWXWCWUJMKLV-MIZPHKNDSA-N 433.597 2.443 30 10 IEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1301253040 XIBHVDUAUIUJNW-RBUKOAKNSA-N 438.532 2.260 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1301378646 IRALDMOBPYWEMG-UHFFFAOYSA-N 444.509 2.371 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@H]1C 1301483286 NGFSNYJQTFKIQU-GFCCVEGCSA-N 437.342 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCOC1 1301575450 HBQZQQSCPSSPAI-QGZVFWFLSA-N 442.545 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301587644 WMDIVXHCNIPWHZ-UHFFFAOYSA-N 449.621 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(COC)CC1 1301589872 ZCLKSBHAQWFBNO-KRWDZBQOSA-N 426.583 2.026 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301595555 WGKGYPVFQZOCJO-SJORKVTESA-N 434.610 2.363 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C(C)C)C(C)C)CCOC1 1303506675 PZAUKZLYKUIKRM-UGKGYDQZSA-N 434.585 2.166 30 10 IEEE CNC(=O)[C@@H](CNC(=O)N(C)CCc1cccc(C#N)c1)Cc1ccc(OC)c(F)c1 1312918659 OCTAEVKTMUHAPA-LJQANCHMSA-N 426.492 2.495 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1316487449 QVCKKGWTIPKYPK-UHQTYDMFSA-N 435.463 2.137 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCSC 1358987630 NGCAGTMAMCLVQF-UHFFFAOYSA-N 445.614 2.411 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1359018112 DZEYKUZLWHPZIV-FQEVSTJZSA-N 442.539 2.042 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C)c2)CC1 1359044115 VWIJSLHCAUJGJO-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1359277888 ZHKJBVFLHMVJGJ-UHFFFAOYSA-N 436.578 2.244 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1359279746 RDPCQBSVBIKXEO-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnn(C)c1 1359293790 ZPSLVWWUNLMBRN-UHFFFAOYSA-N 444.337 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCn1cccn1 1359298595 FPBKENQJKYKNJI-UHFFFAOYSA-N 432.488 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2cccs2)CC1 1359332642 CMUMAVLSCGBQAT-UHFFFAOYSA-N 437.635 2.461 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1ccnn1 1360760023 GKDVYKLFZSSDKA-MAUKXSAKSA-N 442.911 2.482 30 10 IEEE N#Cc1n[nH]cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1438019361 ADNWMNPBEDTFOQ-VIFPVBQESA-N 444.336 2.145 30 10 IEEE CC(C)(C)Cc1nc(-c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)no1 1439799225 YGQMXKOKHZELAF-HRAATJIYSA-N 428.514 2.336 30 10 IEEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1460359006 GMNONBWWFUNRFD-IBGZPJMESA-N 431.602 2.296 30 10 IEEE C=CCC1(O)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 1460802259 RJFSFYWZDGWPRX-UHFFFAOYSA-N 447.601 2.153 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc2C1 1466903052 DQPKAFWTQVNVAV-YRGRVCCFSA-N 449.533 2.302 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1476133759 OUFGUCIAXYUTRL-IBGZPJMESA-N 443.573 2.472 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507595934 XBFUNZJTZNLRFC-UHFFFAOYSA-N 445.589 2.345 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507634707 LPEZJCTUQOPYFA-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CCC)C1 1507664945 REPMADKAGIMKKI-FQEVSTJZSA-N 443.559 2.116 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2nc(C)cs2)CC1 1507733360 WFFXTEVFPYGMHM-NEWSRXKRSA-N 444.605 2.326 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1507811750 DVOWWVFPKMQZJR-OAHLLOKOSA-N 444.565 2.124 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507929644 RYWDDOVASAYIKE-FQEVSTJZSA-N 430.597 2.419 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1507969774 GYBREPHPICHTEE-GOSISDBHSA-N 441.458 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1508078534 YZEVCLXRMISTJY-LJQANCHMSA-N 449.559 2.252 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC(C)(C)OC(C)(C)C1 1508086169 YCVRUGCYPIPAPD-UHFFFAOYSA-N 437.548 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1508143361 YCIFWZPWJBEBLF-RTBURBONSA-N 443.573 2.480 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1NC(=O)CC1(C)C 1509302426 JQIAEYZXTYNAOE-QGZVFWFLSA-N 429.569 2.081 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1510743498 FEXXPLZQZNTNHY-SVMVAKDDSA-N 429.496 2.456 30 10 IEEE COc1cccc([C@@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1518346962 BWFAFCQLZWDLGH-TZIWHRDSSA-N 433.516 2.380 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1518833685 KPCXGGKAUVMGEI-KRWDZBQOSA-N 444.879 2.422 30 10 IEEE CCc1ccc(C(=O)Nc2nc(C)cc(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 1528283180 ACRCPIVUVKTHFG-UHFFFAOYSA-N 428.514 2.406 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539076709 VAYCOSZZQLJGOJ-NZQKXSOJSA-N 449.603 2.056 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539142816 VORYAIGQXCGJID-KZNAEPCWSA-N 437.610 2.128 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1539264144 WPITZHOHJMVCST-QFIPXVFZSA-N 433.556 2.438 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 1539380184 YVPRXWRAIAQNAB-INIZCTEOSA-N 447.312 2.467 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(C)C)CC1 1539440802 BBBVZTGFEYGJKF-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539453967 FAZPESNHUCCPKU-UHFFFAOYSA-N 441.601 2.218 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(COC)CCCCC2)CC1 1539462597 JMCFHIHHZOSXKE-SFTDATJTSA-N 445.608 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)COCC)CC1 1539481579 MMIKTDHMKJYCQY-LJQANCHMSA-N 431.581 2.201 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)CN2CCCCC2)CC1 1539484212 HHFKLFNHJXNMCJ-LJQANCHMSA-N 426.609 2.318 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539785814 CTQXRYZBKXYFEY-UHFFFAOYSA-N 427.896 2.420 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1541892632 CJNOHUZTOMQOHP-CQSZACIVSA-N 431.493 2.390 30 10 IEEE CCCOc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1547278160 DITMDLORFRBLSD-NZQKXSOJSA-N 441.532 2.496 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1548331395 CMRCBXILYQRXQI-UHFFFAOYSA-N 434.566 2.288 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1554421203 AQXYCYBEVVPWIN-FPOVZHCZSA-N 449.559 2.038 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCSCCCO)CCN1C1CC1 1555994076 FGOUHQCVLJWAJD-HXUWFJFHSA-N 444.580 2.300 30 10 IEEE CN(C)C(=O)Nc1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1556650402 NEDQAHXVGVFDHC-UHFFFAOYSA-N 429.502 2.238 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC)c1ccc(Br)cc1 1561601539 PNMBHCGDOOPZSP-CQSZACIVSA-N 443.344 2.010 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCOCC1 1565080046 WNLKSQXGEXRQDP-KRWDZBQOSA-N 445.520 2.190 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)ccc2NS(C)(=O)=O)s1 1566055354 LFQUXOSXAIECHI-UHFFFAOYSA-N 443.572 2.074 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)s1 1566190345 UFIGCUITMNIUFS-QGZVFWFLSA-N 442.603 2.332 30 10 IEEE COc1cc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)ccc1C#N 1583797949 CEHAUEAVZHJXGX-QGZVFWFLSA-N 430.505 2.060 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 1587809037 XSSIOONTVJXJLS-HKUYNNGSSA-N 430.578 2.383 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588045437 KSVTUSVGJXGJAO-MRXNPFEDSA-N 434.587 2.334 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588045572 MUGIWSDBQPMBMC-PGRDOPGGSA-N 447.605 2.098 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CSCCS2)CC1 1588930463 WQJGZNYFBPBONV-MSOLQXFVSA-N 449.646 2.334 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1589096415 CALIBWARPPOAFT-UHFFFAOYSA-N 441.601 2.497 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593682813 CYUNDGWNRQXUKM-QHCPKHFHSA-N 440.548 2.252 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 1594976322 UOQCUAATACVICO-OUKQBFOZSA-N 433.574 2.387 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N(C)C2CCCCC2)CCOC1 1616140209 GJNITPYEFIEQQW-VGSWGCGISA-N 432.569 2.317 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1c1cnn(C)c1 1619911638 BDZFATPBFNFHEB-GOSISDBHSA-N 437.552 2.053 30 10 IEEE CC[S@](=O)(=NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(Cl)c1 1627007515 DUNUKNBBUQNKKQ-AREMUKBSSA-N 425.919 2.452 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1633853761 RWKSUGZKXQPCGR-ZDUSSCGKSA-N 435.905 2.125 30 10 IEEE CC(C)C#CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1633895067 QJQCYJGDWHIMNN-RTWAWAEBSA-N 439.512 2.479 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](c2ncccn2)C1 1634981950 HABSCUUQLXPHJL-WMZOPIPTSA-N 441.557 2.480 30 10 IEEE C[C@@H](Oc1c(I)cc(Cl)c2cccnc12)C(=O)N[C@H](C#N)CO 1636605587 XDZJIBGEQSACKA-RKDXNWHRSA-N 445.644 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)CC1 1636620661 FGFHBGVWNZWCHN-UHFFFAOYSA-N 448.568 2.070 30 10 IEEE COCCN(CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1671319777 IBBWFHJROBVEHR-UHFFFAOYSA-N 431.537 2.273 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1 1684660628 UDYSGGOVDTZOAH-HXUWFJFHSA-N 428.514 2.337 30 10 IEEE C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1cccc(C#N)c1 1687594854 LUEHXGHQOIDAEI-QGTPRVQTSA-N 448.545 2.047 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1689978570 YZBFKZWPAFPPPZ-CALCHBBNSA-N 433.553 2.050 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689979810 HVBOXQYJBIEHQS-MSOLQXFVSA-N 440.573 2.468 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1690082748 MVJOEMNOVYQCSM-UHFFFAOYSA-N 427.553 2.466 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690179105 MUMUPHJXMDWFMH-GCJKJVERSA-N 427.574 2.405 30 10 IEEE C#CCSCCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C 1690186202 MQPBYVQFXQWHGN-UHFFFAOYSA-N 427.640 2.192 30 10 IEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1690231512 DZMJHRGFLNKWMJ-UHFFFAOYSA-N 425.352 2.207 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690636205 MLFDFITVLPKNDM-UHFFFAOYSA-N 437.504 2.197 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1690645928 AZKWXCBAMWSPOH-UHFFFAOYSA-N 437.592 2.268 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1692662218 GVKGKCQDFLKQSK-DOTOQJQBSA-N 448.618 2.038 30 10 IEEE Cc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)s1 1693331876 HZAOMZSOEGHMFF-ZDUSSCGKSA-N 437.595 2.140 30 10 IEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cs1 1693366465 CJGRVURLFRYSOT-IBGZPJMESA-N 435.513 2.465 30 10 IEEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1695430312 BDCORUXFTGQHMM-WOJBJXKFSA-N 438.532 2.495 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN(C)C(=O)OC(C)(C)C)CCOC1 1696023448 GMNJPIPYHKRHRP-IIBYNOLFSA-N 436.557 2.393 30 10 IEEE COCCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697968860 RLQFGYROXFPYHA-HXUWFJFHSA-N 426.569 2.133 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1698006261 QASYTIWZWSRYHO-JTSKRJEESA-N 427.505 2.149 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCSCC2)CCCC1 1705546638 NKJQNJDOUOTMTK-JOCHJYFZSA-N 433.622 2.361 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1705560700 JMYHLGKDDWYDBZ-GOSISDBHSA-N 432.546 2.007 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1705563294 URWMTWYBGQFRRQ-MRXNPFEDSA-N 437.953 2.047 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnccc2OC)CC1 1705640102 DRBPQUZGOWFCID-UHFFFAOYSA-N 438.482 2.354 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1705641252 XYFPFDKQDSEBDI-QGZVFWFLSA-N 437.573 2.231 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(F)c2F)CC1 1705643909 UJPBKBHOWZGOAN-RXVVDRJESA-N 445.514 2.278 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705666796 XUPZKJJVLJEWHM-JOCHJYFZSA-N 443.573 2.195 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705697340 LGCVUKSMUOLQPP-XQPJFTJZSA-N 447.580 2.040 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccccn1 1705900909 UAZRKXURNPQOCX-UHFFFAOYSA-N 428.500 2.464 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCS1 1708234717 SNCJNXVWQDRFNA-VQIMIIECSA-N 429.546 2.476 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCNC(=O)C1CC1 1709138340 BGSSHLFVDNXLFB-UHFFFAOYSA-N 427.940 2.218 30 10 IEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](F)COC)cc1OC 1709859708 JXESSSUIDMDEMI-SJORKVTESA-N 433.484 2.456 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1722301915 DOIKVHGPVXNJDE-IRXDYDNUSA-N 432.546 2.148 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1722336679 OLJDXYAMXLZTIO-SFHVURJKSA-N 442.564 2.356 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCC[C@H]1C 1722401328 TWWVDAAUXDECSJ-VGSWGCGISA-N 425.558 2.284 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)OCO2 1722426057 WUQIWEIGWJHCRJ-UHFFFAOYSA-N 425.514 2.497 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)C(C)(C)C)C1 1722721782 LXKHEIUTAJLYOJ-SFHVURJKSA-N 433.578 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722724581 AMRNFOPCYANOTA-INIZCTEOSA-N 438.623 2.342 30 10 IEEE COCCN(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1730729113 WVKLCRWHKOQUMK-UHFFFAOYSA-N 443.552 2.104 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1740598220 IVVASBOICFWPSM-IFMALSPDSA-N 439.560 2.105 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740623986 BQJUMPIKJCWCFC-KNQAVFIVSA-N 446.548 2.204 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1740628528 YNJMKUBUDGOSFE-QZTJIDSGSA-N 438.594 2.004 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1([S@](C)=O)CCC1 1740635850 RVIINFLGXXXFOT-PMERELPUSA-N 426.542 2.336 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)OC 1740676700 KNVZZWUJWMBSBD-PKOBYXMFSA-N 434.537 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(CCOCC)CCC2)CC1 1740705578 JMDQIZTWAVRXMJ-FQEVSTJZSA-N 443.592 2.345 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(C)c1 1740723041 IRAWOJUHWOFTBI-XMMPIXPASA-N 434.544 2.245 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740956751 ZSWGMFCWPBXAOM-CQSZACIVSA-N 440.445 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC2CC2)CC1 1740989679 VBTUNFZRTNHWJF-UHFFFAOYSA-N 445.589 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1740991344 UNZCBRBSBXLKKB-RBUKOAKNSA-N 443.573 2.132 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1747275556 HZTKYQOTADFXAC-MBOBHEEDSA-N 436.516 2.334 30 10 IEEE CCSc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)ccn1 1747476185 FQDZSCCBSNOLBS-QGZVFWFLSA-N 446.602 2.475 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818246 XZBQNJOYFWFMIR-QUCCMNQESA-N 430.574 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@H](CO)O1 1748828567 HGNMNTRIGVKAJI-ZWKOTPCHSA-N 429.318 2.320 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCS1(=O)=O 1748882418 RGMSEKULGMEQDV-LJQANCHMSA-N 441.513 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc2[nH]ccc12 1748891617 BGXCIKHTDIFAGR-IBGZPJMESA-N 435.553 2.367 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1748990197 VRVRZJXKNSJOGY-CTNGQTDRSA-N 441.601 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1749009841 LXNBZYLEJGAQLZ-NJYVYQBISA-N 443.592 2.199 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)C 1749020478 USWGFFCOCAQZJJ-UHFFFAOYSA-N 442.589 2.474 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCCNC2=O)CC1 1749232611 QOANJTXKULKFNO-UHFFFAOYSA-N 439.564 2.241 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749281931 PLVBVSGUEBLYQV-PWIZWCRZSA-N 426.945 2.455 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@H]1COCCO1 1749600303 VIDIMVDPZMGAKP-FXAWDEMLSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](COc2ccccc2)C1 1749676282 KUFDMSJCZFMRER-FQEVSTJZSA-N 432.528 2.471 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749677374 XLFBNISDWZLQRQ-IBGZPJMESA-N 428.581 2.056 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2OC)C1 1749692999 FAXZLXJGXXBDPN-LJQANCHMSA-N 441.532 2.361 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(F)(F)F 1749998294 TVTOSADOEGQRFD-CQSZACIVSA-N 439.442 2.158 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1750032613 ODCDFKGWYHYUPQ-IBGZPJMESA-N 438.532 2.351 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1750085810 HSSDFZCVXNNOAV-CABCVRRESA-N 429.529 2.123 30 10 IEEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1750162444 UXJYNLAOSWEWQQ-ZWKOTPCHSA-N 430.534 2.019 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1760117280 NPFDIJMHSBOVKP-YLJYHZDGSA-N 425.533 2.359 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([S@](C)=O)CC1 1760171846 IWHSDOCAAPEMBO-PMERELPUSA-N 435.594 2.373 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760188703 LUPQWSNKIGCQKZ-GOSISDBHSA-N 439.541 2.265 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760282902 VCJSXMIAPXUVCE-NRFANRHFSA-N 432.594 2.048 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760313099 JAHHAFHKVJMTAG-HQRMLTQVSA-N 446.596 2.235 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(=O)NC 1760317652 INPAPXVMVPJQLW-VQIMIIECSA-N 428.493 2.407 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760373936 FMMKXYHFDZXGPR-CHWSQXEVSA-N 441.907 2.006 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1760662562 CHMZNAZYVUERBI-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1760754708 CRIVBNWVUCRONA-HNNXBMFYSA-N 434.566 2.145 30 10 IEEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760818454 GJKPJKQZLVUUCQ-UHFFFAOYSA-N 425.537 2.218 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761031720 HGZZHXLKIXUZRW-AUSANRGPSA-N 428.537 2.008 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1761362534 CVQZYBAKPRDNLJ-OAHLLOKOSA-N 433.557 2.219 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCO[C@@H]1CCOC1 1764911570 DIRGGWYXXLBPTD-GOSISDBHSA-N 428.512 2.373 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 1764997950 WUVNJCYTPIGWEG-IBGZPJMESA-N 430.516 2.429 30 10 IEEE CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1765802980 CPLJXDIHEZRAFO-LNLFQRSKSA-N 440.552 2.179 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1768517536 HUYXVULQERKOKB-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 1769319978 IZEMLTBUMCKWES-UHFFFAOYSA-N 434.342 2.312 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1c(O)nc2ccccc21 1769996521 YMPNTOCVERCUSL-BTYIYWSLSA-N 443.483 2.200 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCCn2cnnn2)cc1 1770738451 KDMLUPDTMFHRCT-UHFFFAOYSA-N 429.435 2.041 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1771282799 HWNBHKHOSODMSB-SXWKCWPCSA-N 441.532 2.316 30 10 IEEE COc1ccc(S(=O)(=O)NC(C)(C)C)c(CC(=O)ON2C(=O)c3ccccc3C2=O)c1 1772790503 DMOWVSHWPNPIAW-UHFFFAOYSA-N 446.481 2.069 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)c1 1848879869 IYXSFNUJBFHUQT-HXUWFJFHSA-N 438.553 2.308 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(COc4cccc(C#N)n4)CC3)ccc21 1849829041 MTPASXNKTUKQEH-UHFFFAOYSA-N 440.525 2.342 30 10 IEEE C=CCN(C(=O)c1cnn(-c2ccc(-c3nc(C4CC4)no3)cn2)c1C)[C@H]1CCN(C)C1=O 1850971840 HUGMYGKVSJYCMF-SFHVURJKSA-N 447.499 2.362 30 10 IEEE CN1CCC[C@H](OC(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)C1 1851975976 HEJBUJYXDAPTBF-FPOVZHCZSA-N 427.526 2.085 30 10 IEEE Cc1cc(F)ccc1-n1nnc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1C 1852911437 YHALAKBMURVKJF-UHFFFAOYSA-N 449.490 2.269 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC4CCC(=O)CC4)C(=O)C3)C2)s1 1856309506 QCFDRIJZJROQRA-QGZVFWFLSA-N 428.558 2.014 30 10 IEEE CS(=O)(=O)CCC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)cc1 1867019538 VASIGMBIZPJDGV-LJQANCHMSA-N 445.566 2.350 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868781796 AGGMMNFNSSULSA-QFUCXCTJSA-N 446.617 2.396 30 10 IEEE CC(=O)Nc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1889528312 SKHHDFJQBNMJIJ-UHFFFAOYSA-N 440.588 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891975419 CSVADGDIHITIAI-UKRRQHHQSA-N 437.447 2.363 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(I)cn1 1985058327 BAIFPMVQHKGQGM-SNVBAGLBSA-N 430.246 2.326 30 10 IEEE C[C@@H](C#N)S(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1987442054 QICYLKSXYAPRPV-KRWDZBQOSA-N 436.578 2.377 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2009818324 AAYBWAPNPHBBEN-HSZRJFAPSA-N 427.545 2.143 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 2054340582 CISPQMVHYXQKQG-CZUORRHYSA-N 439.372 2.231 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124532712 LTUYPCZPIOWXCL-GOSISDBHSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@H](O)[C@@H](N)C#Cc2ccccc2Br)C1 2235730166 UVKFLLDFWRQSQF-NJAFHUGGSA-N 439.350 2.372 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243417092 LOLQLUQQVCWDKJ-RYUDHWBXSA-N 425.360 2.474 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N(CC(=O)O)Cc2ccccc2)OC1(C)C 2243751703 BDYUHMPJNRVPCF-UHFFFAOYSA-N 437.348 2.323 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2247780923 LOUIKSMVBVNUDC-HOTGVXAUSA-N 425.363 2.303 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC1CC1 2247880090 ALINUGGEUORTPP-UHFFFAOYSA-N 431.367 2.320 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254792111 UILVCFMWKNNLOC-QGZVFWFLSA-N 432.374 2.344 30 10 IEEE Cn1cc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2255654054 RFDBHKJAHZEBLY-IBGZPJMESA-N 425.338 2.133 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255849315 NUUDTMKZZYXFGF-KMFMINBZSA-N 431.342 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2C[C@H]21 2255870317 KHFFFVURVCBOME-DLBZAZTESA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2259933923 PUFKGTLGHYPRLQ-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C[C@H]2[C@@H]1CO 2266748457 PFPQPURXTIJYBR-BBWFWOEESA-N 445.369 2.045 30 10 IEEE CC1(C)C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267099839 ODGBXZCYQQUWPH-CQSZACIVSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(N(C)C(=O)OC(C)(C)C)CC1 2267155888 AJQVNHSOFRTGHX-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CCn1cc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267180751 IORQNTNJJYANER-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2267272701 CBJRAXCHLHYZIB-CRAIPNDOSA-N 443.353 2.462 30 10 IEEE Cn1cc(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267500011 CCTDBCKOMGIHQG-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267770751 WHBZLDAYDSRWOM-RDJZCZTQSA-N 449.313 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)C[C@@H]21 2267808358 XDGLWTHBOBDSCR-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNS(=O)(=O)C=Cc1ccccc1 2297360868 KDTRMMAWEMVWCU-UHFFFAOYSA-N 449.510 2.012 30 10 IEEE CN(C)CCN(CC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2303146537 HLTBZUSKIMXBOI-INIZCTEOSA-N 425.379 2.480 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccco1 2327828284 OWLVUMUPCCDKRR-CQSZACIVSA-N 432.550 2.486 30 10 IEEE COc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)cc1O 2328531630 WJHAUAMHPVAHKK-UHFFFAOYSA-N 429.458 2.458 30 10 IEEE CC(C)(C)Cc1nnc(SCC(N)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330825952 KFTAUTMOOCQSQM-UHFFFAOYSA-N 434.478 2.006 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)[C@H]1CCS(=O)(=O)C1 2377309782 BOPPTBFFCGTKDT-AWEZNQCLSA-N 444.200 2.367 30 10 IEEE COc1ccc(Cl)cc1N1/C(=N/C(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 32634486 WLCRMXXTEKUURS-UZLLHMFJSA-N 446.934 2.205 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCOc3ccc(F)cc3C2)n1 427761955 GMGIALNKXBTHMV-UHFFFAOYSA-N 439.834 2.896 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 429953582 XHGZRXNGZPSJGX-KXBFYZLASA-N 426.498 2.467 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC2CCC(C#N)CC2)o1 441133732 IDTHPQNSJBAWRY-UYSNPLJNSA-N 437.518 2.056 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)C[C@@H](C)O1 443346944 NTYCRIHNQTXOIL-MRLCAUJQSA-N 426.517 2.321 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1CCN(CC#N)CC1 464988639 SUCHSNGZHFSNJS-AWEZNQCLSA-N 442.379 2.211 30 10 IEEE C[C@@]1(c2ccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc2)NC(=O)NC1=O 480559524 UWXAXWDAQABRGG-KXBFYZLASA-N 427.258 2.498 30 10 IEEE C[C@@H](C1CC1)n1nccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 482476925 LSYSYCZXYWXHFT-HNNXBMFYSA-N 428.518 2.264 30 10 IEEE Cn1nc(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c2ccccc2c1=O 500033434 WDRVJRBUPTZZAI-UHFFFAOYSA-N 438.491 2.245 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cn1 501992451 ZXQZKVXXJYHODN-MRXNPFEDSA-N 436.497 2.497 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 505125987 WICMUAHUTLLRHH-LLVKDONJSA-N 432.296 2.309 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(OCC(=O)N4CCCC4)c3)CC2)n1 546916763 OABJWALCVQRMMC-UHFFFAOYSA-N 434.500 2.309 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)n1 548963137 ATJRJRUFHZWLAV-INIZCTEOSA-N 448.458 2.684 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 549657874 MUJBKGUVOOSNNB-UHFFFAOYSA-N 433.520 2.236 30 10 IEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](/C=C/c3ccco3)N2N1 588226719 SWQOFVCTLSJAKO-IQIBNGDESA-N 443.326 2.445 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1 589555667 UCRNWWRCSSDHDI-UHFFFAOYSA-N 431.514 2.087 30 10 IEEE N#CC1(CC(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 590341038 UXXASRCCWDCBKO-CQSZACIVSA-N 426.336 2.412 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)[nH]c4c3)cc2C1=O 614042890 UZQFFCFNHGXQIZ-UHFFFAOYSA-N 431.452 2.434 30 10 IEEE C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ncccc2C#N)CC1 619510032 DIYUJVTVUNCKOW-RNXZQOMOSA-N 436.560 2.258 30 10 IEEE C=CCn1ncc(NC[C@@H]2CN(C)CCN2Cc2ccccc2)c(Br)c1=O 694742966 AWOWDASEZDXKNS-QGZVFWFLSA-N 432.366 2.420 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 727415642 XEXXLQJBPKQLMQ-MRXNPFEDSA-N 436.489 2.076 30 10 IEEE CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 732410132 XVCULHOGYNFZEI-FPLPWBNLSA-N 445.397 2.184 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)cc1 735275940 FSNIIESFRLCSNF-SFHVURJKSA-N 427.526 2.006 30 10 IEEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 743114469 OKIYHWDITAJTLJ-KYLWWAFNSA-N 449.577 2.364 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)COC)c1 746222933 CEBSQCRQNJSCEO-INIZCTEOSA-N 438.933 2.458 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 746621733 VIBRSQQUWAOCHF-HLZQHVJHSA-N 427.548 2.180 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 756074110 IZKRXFCRKOOOGT-HNNXBMFYSA-N 439.537 2.334 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](COC)C(=O)O 757268406 VKBNUUQZDZLPOQ-SFTDATJTSA-N 436.464 2.133 30 10 IEEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2ccc(C(F)(F)F)cc2C#N)C1 758120477 NTNUZESSAWYIJG-INIZCTEOSA-N 427.423 2.207 30 10 IEEE CC1(C)C[C@@]2(NC(=O)N(CN3CCCN(c4ccccc4C#N)CC3)C2=O)C(C)(C)O1 764918491 DMPPKPGMBXXTPX-QHCPKHFHSA-N 425.533 2.296 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 766392140 FPPABTIQHXHUJO-UHFFFAOYSA-N 447.532 2.411 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC2CCS(=O)(=O)CC2)C1=O 768422865 VEIRXDFWNGNPEF-INIZCTEOSA-N 441.550 2.108 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC)[C@H]1CCS(=O)(=O)C1 782107547 XZYQFEPBFGFUKM-SFHVURJKSA-N 449.573 2.355 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 794216853 VZLUCYSBZDAGIL-VQTJNVASSA-N 449.536 2.363 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cnn(C)n2)C1=O 807934193 DIDULBYIUHJKHJ-CYBMUJFWSA-N 427.317 2.390 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC)[C@H]1CCS(=O)(=O)C1 812036781 FPPLBWTZIZRDGR-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2c(O)nc3ccccc32)c1 918616286 KNLDFTAJWOIQJN-NKFKGCMQSA-N 427.486 2.193 30 10 IEEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC12CCCC2 1124852537 FESDRABFBLXWJS-LJQANCHMSA-N 427.448 2.411 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1128727629 QHGOICRAGGCYGQ-UHFFFAOYSA-N 433.480 2.163 30 10 IEEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCCC1 1128964068 MSZLOELPLPWIRV-UHFFFAOYSA-N 433.574 2.406 30 10 IEEE CC[C@@H](C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1130359309 JTJVNFMSHJCHES-BEFAXECRSA-N 435.546 2.053 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 1132652140 GVAAWLDFMHFBEP-APWZRJJASA-N 433.917 2.415 30 10 IEEE CC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134645152 AWLIKIASFDKWDV-RVKKMQEKSA-N 425.348 2.415 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)cc1Br 1149238891 OJVJAFYJIHXKSK-MRXNPFEDSA-N 429.230 2.219 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3cc(Cl)cc4c3OCC4)CC2)o1 1176453174 PWYCAOXPMSNAKA-ZDUSSCGKSA-N 429.908 2.442 30 10 IEEE CN(C)[C@H](CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1177342029 GCROBKVNOSTARL-MRXNPFEDSA-N 448.511 2.284 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 1224762502 LMNNKJMOEDZZIT-CHWSQXEVSA-N 443.488 2.074 30 10 IEEE C#CCN(C(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)C1CCN(C)CC1 1251699646 SOZWAKVIVAOTJS-UHFFFAOYSA-N 437.544 2.295 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286329713 WLUOWVXYUROEBA-UHFFFAOYSA-N 443.555 2.493 30 10 IEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286395739 MZWBCQAQOOAHRN-KRWDZBQOSA-N 448.614 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1(OCCOC)CCOCC1 1286406492 VKSGJVJOLBZDHI-UHFFFAOYSA-N 433.512 2.102 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 1286493462 VQILAQQKPUFWMD-UHFFFAOYSA-N 443.935 2.001 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCCCCC2)CC1 1286494546 NEAAIUGKCGAKCV-LJQANCHMSA-N 429.565 2.181 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1286527705 OVWNMSGTWWFXPY-HSZRJFAPSA-N 448.527 2.003 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286689053 IBVBXEQTWAYNJE-SFHVURJKSA-N 428.562 2.496 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1286789849 YAGFDQKWZDRFNK-OALUTQOASA-N 425.533 2.043 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286791623 XPTHAQKRKYRLID-UHFFFAOYSA-N 430.597 2.444 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cccs2)C1 1286811907 JSDQGIQHGAKRRP-KKSFZXQISA-N 431.562 2.151 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnccc2OC)C1 1286814156 LWDCDPFXIXPIDW-HQRMLTQVSA-N 429.521 2.235 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CCN(C(C)=O)CC1 1293099819 DDIKYCHQDRCSKR-UHFFFAOYSA-N 439.539 2.436 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1293360116 GAKLOIUXECXCDN-UHFFFAOYSA-N 425.379 2.328 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1C(=O)CCCC1=O 1293826713 MJKZHVRIPORUKX-FQEVSTJZSA-N 440.500 2.048 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1300476080 FBOCURKRSGKVKT-INIZCTEOSA-N 442.520 2.443 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CC2(CCOCC2)C1 1300676386 ODZVJXRRGGGPAZ-PMACEKPBSA-N 432.565 2.295 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1300766266 YGIQCUHOMPRVND-UHFFFAOYSA-N 441.601 2.497 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCOCC2)CC1 1301095758 OCQQNWMPZOBBNS-UHFFFAOYSA-N 429.496 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NCC)c2)C1 1301553714 RISMMJJNFPWQKV-LJQANCHMSA-N 433.516 2.314 30 10 IEEE COC(=O)[C@H](Cc1cncs1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1303323056 XOKBRQMXDBWFLA-VQWQTIEJSA-N 448.545 2.130 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCSCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1304561363 UYGWNKQOVNJPMT-QZQOTICOSA-N 438.557 2.257 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1304668359 CVTBZZRBKCAMCY-SXZOAGKDSA-N 441.561 2.397 30 10 IEEE CN([C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309197711 FJLRRCFDNCIGMU-LSDHHAIUSA-N 435.365 2.297 30 10 IEEE CCOCc1nnc(N2CCSC(CC)(CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314411930 JGMITQOALWKXBN-HNENSFHCSA-N 448.593 2.453 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)C1 1323717727 BQCCJDJEZDPKRH-KRWDZBQOSA-N 448.589 2.340 30 10 IEEE Cn1nc2c(c1C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)CS(=O)(=O)CC2 1352545037 BOEDPPAZBVEGDN-UHFFFAOYSA-N 427.511 2.062 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959466 JIAAQMQCXKYSMG-SFGWALBWSA-N 428.558 2.123 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccs1 1358976401 CTLCLCOGLFPTSS-UHFFFAOYSA-N 443.536 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(Cc2ccccc2)CC1 1358984988 MHGMFRXEUYAPQE-IBGZPJMESA-N 439.585 2.374 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1359083247 FZPTUNOCUYVEBE-ZDUSSCGKSA-N 426.315 2.160 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359110902 HEURYEZZKDXUES-ROUUACIJSA-N 439.543 2.484 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359227029 RHEARGBICYOEDD-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)C1 1359321455 GKTHLASISOETGF-HOTGVXAUSA-N 437.591 2.083 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1Cc1ccc(C#N)o1 1360210153 NLESGUBWULBRIJ-JOCHJYFZSA-N 438.463 2.166 30 10 IEEE CC(C)C[C@H](C#N)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1435804269 VCIHLTSQRZGFDJ-QVKFZJNVSA-N 425.526 2.389 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1 1441015568 YRDKAXCHEYQOIK-RDJZCZTQSA-N 445.463 2.281 30 10 IEEE C#CCn1cc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cn1 1448877942 YHXLJOUNLVJXKY-INIZCTEOSA-N 434.283 2.345 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 1451449655 AMTHYMHNEBVQFU-WIYYLYMNSA-N 445.516 2.261 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1452941020 FQKBIOAEYWAMQA-MOPGFXCFSA-N 429.517 2.466 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 1456854609 MHARXLIJRREPME-UXHICEINSA-N 438.488 2.043 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCc2nccc(C(F)(F)F)n2)c1 1456945960 GNIYMBGRWVTACZ-UHFFFAOYSA-N 428.436 2.274 30 10 IEEE C#C[C@@H](CCC)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1463628771 AAEDFCMFBNRFSX-NSHDSACASA-N 435.283 2.466 30 10 IEEE CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464040675 XGPPAXPEQVZRAS-GOSISDBHSA-N 435.546 2.005 30 10 IEEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)Cc2ccc(Br)cc2C#N)n1 1472332157 HJDJKFZXVMPDTQ-DLBZAZTESA-N 430.306 2.348 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1503249097 YLCOSPWULBUOJY-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCC2)cc1 1504312213 BMIREKSVDFIOBU-IBGZPJMESA-N 426.521 2.079 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1F 1505273601 AAXHXRJOWPDSMF-OLMNPRSZSA-N 432.525 2.035 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cccs1 1507524122 SMUHHRYGHMPYDZ-YCRPNKLZSA-N 434.529 2.348 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507630654 FAYDJTZKQLBBSO-DLBZAZTESA-N 433.603 2.147 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCCC1(C)C 1507648976 WVHZBKOZXDXHHV-VWLOTQADSA-N 444.539 2.206 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCCC2)nc1 1507710545 QGBFVIDBYGTUBJ-UHFFFAOYSA-N 434.548 2.198 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C)C1CC1 1507994213 YFPHTILHOZGGPI-SFHVURJKSA-N 435.550 2.024 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCOC1 1508041730 SEXVOFQECCSPRA-QGZVFWFLSA-N 438.532 2.257 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(C)c1 1508140853 QRSWHNHZWJVQMI-UHFFFAOYSA-N 442.545 2.289 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508151758 NXTJJMJKLXXQHA-OAHLLOKOSA-N 425.580 2.284 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCc2ccco2)cs1 1511527606 RFBZINDFGLCLQN-UHFFFAOYSA-N 425.518 2.283 30 10 IEEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@@H](C(F)(F)F)O1 1512498647 HJMBITYMEWRZNR-WFASDCNBSA-N 438.410 2.069 30 10 IEEE CO[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1517943644 CHCOXPWWASFKEE-LEWJYISDSA-N 444.561 2.205 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nscc2Br)c1 1518828015 WSRIZYZAMQDSJH-UHFFFAOYSA-N 434.315 2.393 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1519401734 MHJXJEHTGRCBCD-UHFFFAOYSA-N 438.532 2.071 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1527772110 VSBJAJKOAHLDFI-HZPDHXFCSA-N 440.541 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1538974018 QRNQDISMUGQLPE-OLZOCXBDSA-N 425.942 2.057 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](C(F)F)N1CCOCC1 1538994081 YPFQCLZPLJUDBA-WBVHZDCISA-N 447.486 2.488 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539115945 IQIOOEUIOCMHBB-SFHVURJKSA-N 428.562 2.066 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)C(C)C 1539178305 GTBCGNHTKQHHNF-GOSISDBHSA-N 434.585 2.386 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539207189 ZTSAKIZAHMJZSJ-HFTRVMKXSA-N 429.502 2.136 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1539432052 XKASJMBUNPWBPL-PKOBYXMFSA-N 426.540 2.030 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCSC)CC1 1539484223 HUVRFLVPKNRINL-UHFFFAOYSA-N 432.619 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccccc2OC)CC1 1539488648 CMBAWTUEEYSVSX-UHFFFAOYSA-N 425.533 2.032 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1539539722 XSMRGSFHLFIJRG-GAJHUEQPSA-N 441.507 2.408 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1539734953 CQDSSHOBHVPCFG-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)CC1 1539875335 WEURIWJCLNFIMQ-INIZCTEOSA-N 425.599 2.498 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nnc(C)s2)CC1 1539890198 JUAXEMBOXPZRCX-INIZCTEOSA-N 436.607 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540867161 MSBJILJDOKTKME-UHFFFAOYSA-N 439.589 2.251 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CC=CCC1 1540902015 XYHOKYNNALSNRZ-MRXNPFEDSA-N 447.561 2.399 30 10 IEEE CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1543092228 QHYLFKIGNKYXRE-SFHVURJKSA-N 435.366 2.326 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)on1 1548334278 FLMQGOOWOXDRSC-UHFFFAOYSA-N 443.533 2.079 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)c1 1557321882 VFBRPCDXNMMMJK-IBGZPJMESA-N 431.441 2.204 30 10 IEEE CN(CC(=O)N1CCCC1)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1557687144 MSJBXGXQPPYZQN-FQEVSTJZSA-N 426.517 2.473 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@H]([C@@H]4COC(C)(C)O4)C3)C2)C1 1558222466 OZKZREDJNZVIFT-JOQXDGHVSA-N 449.548 2.152 30 10 IEEE COC(=O)N1CC(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1564602624 HLQFOHRGNXVMED-HTQZYQBOSA-N 425.276 2.249 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)C(=O)OC 1568154360 HEXWDDBBTSUYDW-XMSQKQJNSA-N 434.492 2.471 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCc3nncn3CC2)CC1 1585535133 SWGWCKOYGHENBJ-AEFFLSMTSA-N 443.349 2.402 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2=NCC(=O)N2C)c1 1585991061 QGAVMJURCPTPGL-UHFFFAOYSA-N 446.916 2.279 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cnc(Cl)cc2C#N)C1=O 1586414130 IZDQHYAUDUZZEA-HXUWFJFHSA-N 427.848 2.329 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1587579920 LHHDGYFGLKSPAP-HZPDHXFCSA-N 447.486 2.499 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1588969084 VIZSUEDPKAPZNU-GOSISDBHSA-N 446.621 2.013 30 10 IEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594626852 PQZLZKJOJXSYFC-RTBURBONSA-N 427.505 2.098 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1595064975 FJYIFYDLFNFRIV-MRXNPFEDSA-N 449.602 2.392 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1595275757 NOOSDOMYAJJAEP-HSZRJFAPSA-N 437.548 2.041 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1595545626 ZSTUMOZBBIHNCK-SJORKVTESA-N 445.593 2.162 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1595562397 XPZDMDREYONLNS-UHFFFAOYSA-N 441.536 2.093 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H]2CCOC2)cc1 1595640066 SDRNBTTUMXYLTH-IBGZPJMESA-N 425.533 2.486 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NC2CCCCC2)C1 1595679708 AGRWFPQTOUDUHV-CVDCTZTESA-N 447.580 2.160 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)C1 1595699380 NAYJLHHFWPMEPS-IBGZPJMESA-N 434.583 2.389 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC([C@H]2CCCO2)CC1 1595811978 IYUBDNISCGVHKJ-HXUWFJFHSA-N 445.589 2.260 30 10 IEEE C#CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCCC1 1598048939 XERXEYMCJCFDCC-UHFFFAOYSA-N 432.542 2.311 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)Cc3cccnc3)nnc12 1611695409 DLMDGMLRBOCSHJ-OAHLLOKOSA-N 434.525 2.465 30 10 IEEE Cc1nc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)n[nH]1 1612417421 COSNHAKOCLYNLK-ZDUSSCGKSA-N 441.927 2.269 30 10 IEEE CCc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CCCCCO 1614023959 QAMIJRAKWGJQPD-UHFFFAOYSA-N 425.493 2.449 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)[C@H](C#N)C1 1621714729 AZXIIXCNEBGMNL-GFCCVEGCSA-N 442.303 2.090 30 10 IEEE C#CCCOc1ccc(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1 1625679524 XKTNSQALLGLXCM-UHFFFAOYSA-N 425.489 2.402 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1 1628766802 FFEOKSBOFGMWAM-QGZVFWFLSA-N 430.379 2.303 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCc2cc(C#N)ccc2F)cc1 1628775627 HCGKGGYUEGZXJB-GHTZIAJQSA-N 445.516 2.261 30 10 IEEE CSCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)N(C)C 1629025382 LOWNUROWAWYRPY-AQZMIJIOSA-N 438.594 2.099 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(CC#N)cc1 1630989195 VZUKQNGBGXEMGR-HXUWFJFHSA-N 443.525 2.099 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 1632437090 UCRUXRKPERDRNZ-DQYPLSBCSA-N 430.306 2.350 30 10 IEEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1 1636069977 RMQICYRMLHRIBV-JXFKEZNVSA-N 448.531 2.212 30 10 IEEE C#CCN(C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)[C@H]1CCCc2ccccc21 1638311739 YFORHHSNOJVXQC-QHCPKHFHSA-N 446.551 2.484 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 1639962220 MIXAIKKCIWFQSU-QFIPXVFZSA-N 441.553 2.467 30 10 IEEE C=CCCC[C@H](C(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1639974996 NWDYKOWUADJLHF-SFHVURJKSA-N 438.532 2.419 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n1 1642903368 KEZNVRXYJWLDEF-UHFFFAOYSA-N 433.285 2.278 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 1643806875 FOQULRNVBFVLPO-MRXNPFEDSA-N 444.532 2.400 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1645159295 SFNFVSRVKPJFOH-OAQYLSRUSA-N 432.528 2.033 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 1651970870 IZLQUSCYMQZQFN-SJLPKXTDSA-N 449.573 2.221 30 10 IEEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1653212661 NWKUUZVWPIHURM-KRWDZBQOSA-N 428.514 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 1655574944 CQDMRIYTQKUXSK-CYBMUJFWSA-N 449.451 2.491 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1664237773 OZQIOXVZASELSV-GOSISDBHSA-N 444.575 2.037 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc([N+](=O)[O-])cc1 1685254797 XGQNFAFTMCMNSN-HNNXBMFYSA-N 443.485 2.244 30 10 IEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689935935 YEFNYMSAINRJMF-OAQYLSRUSA-N 437.544 2.141 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2ccc(F)cc12)[C@H]1CCS(=O)(=O)C1 1689993155 WUJLCKGVOTWGCM-KRWDZBQOSA-N 429.521 2.330 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)N(C)C 1690007831 KVPPQMGIUKXKCJ-UHFFFAOYSA-N 427.574 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1 1690017912 OOIFDHXZAXBRMW-UHFFFAOYSA-N 446.603 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)NCC1CC1 1690095060 CUUNDWDLZZOPNM-UHFFFAOYSA-N 432.528 2.414 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2ccnc2C)CC1 1690139177 CIXRBURTDGXMTB-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1690236566 OLYVKMGXPHNQTN-PKOBYXMFSA-N 429.569 2.384 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1690285980 VBMZMGKMDGRPQV-LJQANCHMSA-N 440.523 2.477 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690480743 PEQRFOLJIHGUQP-OAQYLSRUSA-N 445.593 2.167 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690508084 AVDAYUBVJKREQA-GOSISDBHSA-N 429.521 2.320 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC(C)(C)[C@@H]1C 1690665356 AOAAKYUVOJMHPP-HNNXBMFYSA-N 427.505 2.022 30 10 IEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)CC1 1690683719 SSNDWWCAOVTROY-UHFFFAOYSA-N 439.541 2.112 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCCc2ccccc2)C1 1690694107 KJOLORIILSSVTP-NRFANRHFSA-N 432.528 2.480 30 10 IEEE C[C@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCCCCO)CCO2 1693876369 BSZYFRDNFSILCS-WZONZLPQSA-N 441.532 2.276 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC[C@@H]1OC 1696335713 AKWQOSAEQFJEJJ-SCTDSRPQSA-N 440.552 2.006 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1705491894 JAVORTRYLTZDOL-SCTDSRPQSA-N 427.574 2.089 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCc2cc(OC)ccc21)[C@@H]1CCS(=O)(=O)C1 1705561628 RXSUTEUTNHFAAS-RBUKOAKNSA-N 428.558 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCC1CCN(CC(F)(F)F)CC1 1705581104 WPBDMJUIBHXTNP-UHFFFAOYSA-N 431.466 2.472 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(=O)OC)C1 1705658181 HGQGVWZIVPEEOB-KRWDZBQOSA-N 436.541 2.497 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705659672 CGVSPKSELBUPAF-KRWDZBQOSA-N 430.578 2.069 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)CC1 1705769474 TYLPQDDMWSJURG-ROUUACIJSA-N 449.552 2.158 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(OC)CCOC1 1705881178 DXCQDICHWFYPQM-SFHVURJKSA-N 440.342 2.480 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1705892589 QUPIRQBUTMPNGX-UHFFFAOYSA-N 426.496 2.124 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1706076509 FGJFIYPSBSSOHY-BBRMVZONSA-N 429.912 2.106 30 10 IEEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C(C)C 1706567062 BOQKYPZOWQERFJ-UHFFFAOYSA-N 439.564 2.174 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1711472394 FHGFGDSWMHSTDF-HKBQPEDESA-N 444.561 2.252 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOCC2)c1 1711695686 CVVPNMCNJUAYNR-UHFFFAOYSA-N 440.548 2.425 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C1CC1 1722295946 ZAGLEHKSUYCOIX-JKSUJKDBSA-N 429.594 2.179 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722688773 LGOKTCFRRMYTJA-HKUYNNGSSA-N 440.548 2.399 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722699381 HFHUTZLFKLIONO-IBGZPJMESA-N 440.548 2.194 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)N1CCOCC1 1722862766 FDJYDZUXWCLYBG-HOTGVXAUSA-N 430.484 2.012 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1728447470 CPPYEVLUPHPIEN-UHFFFAOYSA-N 448.575 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1740562175 IXXRCCUOLOOSIY-MWDXBVQZSA-N 444.580 2.421 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1740619456 OTEBMMNHZVXGPR-LJQANCHMSA-N 441.582 2.363 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740789863 MEEFKBATPGZCEK-MRXNPFEDSA-N 431.928 2.142 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740826997 FHILMKVRDWLXFR-QGZVFWFLSA-N 430.578 2.285 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1740976584 LELSODLXNAWXGA-MSOLQXFVSA-N 431.562 2.255 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C)c1 1740985029 ALBYGJIEWQZVOQ-UHFFFAOYSA-N 431.562 2.060 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccsc1 1740990010 GBJSAZOVCBUUAA-UHFFFAOYSA-N 449.558 2.305 30 10 IEEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1741115037 KSPGPBIBZNRGJZ-OAQYLSRUSA-N 433.516 2.259 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccccc1)N(C)C 1744096228 AZNOYEPAXPPOFV-WOJBJXKFSA-N 439.564 2.228 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccc(C)cc2)CCOC1 1746733053 DUSIZOOXMLMDJQ-NFBKMPQASA-N 441.532 2.437 30 10 IEEE CN(CC1CCCC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747833973 SOBVWTUIIPSKLW-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1748929502 KYSRQYPIKAIESK-SFHVURJKSA-N 443.552 2.311 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1ccc(C)cc1 1748961160 WFRNQHVDDLLCRU-UHFFFAOYSA-N 432.528 2.473 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2ccn(C)n2)CC1 1748999497 YMXCNLWEYPFPPL-UHFFFAOYSA-N 433.560 2.205 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1749033255 CEHJGSLDYRLCCC-NVXWUHKLSA-N 444.536 2.178 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749225209 CEPRXDUIAICPRE-UHFFFAOYSA-N 426.521 2.290 30 10 IEEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749276316 VRQNEKRIZKNXBA-KRWDZBQOSA-N 444.923 2.125 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749646591 SUDGDQMOKNYBFJ-IAGOWNOFSA-N 425.599 2.243 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCCOCC1 1749658809 PPDJRMHAIRVTPL-UHFFFAOYSA-N 426.340 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1749667334 YHJNOSUJPJXLEA-MRXNPFEDSA-N 448.531 2.134 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCCO)CCO1 1750385873 CIVBDVCEXRHFBL-AWEZNQCLSA-N 426.304 2.380 30 10 IEEE CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1750641610 GTLFECJNEBWNBL-UHFFFAOYSA-N 447.547 2.143 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1751587972 HGAISIIWRVOQLS-IIBYNOLFSA-N 426.546 2.086 30 10 IEEE Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1751874182 RDYGLPNRZMKPDO-GOVACCIISA-N 442.545 2.048 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1760104617 BNSPJGOBCFDFBB-CVEARBPZSA-N 432.546 2.245 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760135376 TUINYVJDROCFOO-CVDCTZTESA-N 449.603 2.441 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760144326 LTJAJKFYUOBTCA-QFIPXVFZSA-N 427.553 2.095 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760181552 XJBKPJSMPIUUSS-INIZCTEOSA-N 442.463 2.203 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1Cc1cnn(CCOC)c1 1760199790 JDGRZJBSDPJXHD-UHFFFAOYSA-N 425.496 2.457 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)C[C@H](C)C1 1760201864 LEXPFUUZESSTGN-OALUTQOASA-N 436.560 2.447 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(N)=O)CC1 1760359574 RIVDGQYWVRTMAH-UHFFFAOYSA-N 437.548 2.201 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(OCCN(C)C)c1 1762611039 HXECVMPWCVMIGA-UHFFFAOYSA-N 446.559 2.169 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccnc(SC)c1 1763095414 DPEQYZOHNHSWKC-UHFFFAOYSA-N 437.577 2.246 30 10 IEEE C[C@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCC(C)(C)O)CCO2 1763278442 DDDGHRUGYZBWFR-UZUQRXQVSA-N 441.532 2.274 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1764266877 CSWLGTJXFCCDPN-SFHVURJKSA-N 430.578 2.029 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1764460048 LUECAQRTNFSOTO-VQTJNVASSA-N 426.569 2.133 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCN(c2ncccc2C#N)CC1 1764670535 CUMLZJGXSJYNDI-UHFFFAOYSA-N 433.564 2.340 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1769237687 GXXLHKLRLQNMRL-GOSISDBHSA-N 437.504 2.101 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1770447439 AIJXNCWJEDEJRW-QHCPKHFHSA-N 448.531 2.161 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2F)nnc1N1CCC(F)(F)C1 1770832580 DMFSYBFPKRGYFK-FBMGVBCBSA-N 432.406 2.456 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nc2c(s1)CCCC2 1771223775 YANCIXDXIUEYFZ-HZPDHXFCSA-N 446.577 2.309 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1772564695 SYHMMBRKEBYIMY-OAHLLOKOSA-N 427.530 2.408 30 10 IEEE C=CCC1(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccc3OC)CC2)CC1 1848476194 CTKLEDOZHQKQDA-IBGZPJMESA-N 433.574 2.247 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC2=O)cc1OC 1849700477 SKNWVIKSZRYEDO-SFHVURJKSA-N 434.496 2.277 30 10 IEEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1)CC2 1850386285 PWCRYOLYZHFNJS-GOSISDBHSA-N 435.406 2.138 30 10 IEEE C=CCN(C(=O)c1cnn(-c2ccc(-c3nc(CCC)no3)cn2)c1C)[C@@H]1CCN(C)C1=O 1850409486 BDCHELUCVQTKKQ-GOSISDBHSA-N 449.515 2.437 30 10 IEEE CN(C(=O)c1ccc(OCC(F)(F)F)nc1)c1snc(N2CCOCC2)c1C#N 1852649021 BRBMPCWJNNPVHL-UHFFFAOYSA-N 427.408 2.464 30 10 IEEE Cc1ccc(OCC(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)cc1 1857224688 NFPMNPOUFAPPCF-MRXNPFEDSA-N 427.482 2.243 30 10 IEEE COc1ccc(OC)c(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)nc2O)c1 1859429873 GUBFHNCAPSDXHX-UHFFFAOYSA-N 446.511 2.379 30 10 IEEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O 1863535927 AFTVTUOLYZBSRZ-UHFFFAOYSA-N 440.500 2.121 30 10 IEEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 1869929974 QJRSSRCMDQKTLF-DYESRHJHSA-N 440.569 2.489 30 10 IEEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107349 FVAJMSVBXYDXRV-UHFFFAOYSA-N 434.843 2.476 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCc1cnc[nH]1 1870499279 IGIMULOQRKUCRG-UHFFFAOYSA-N 448.527 2.401 30 10 IEEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871009243 LQOZVJWEWKEASU-UHFFFAOYSA-N 437.521 2.477 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(=O)c2cc3c(cc21)OCO3 1873864780 XJZDFWUEZMUXPL-ZDUSSCGKSA-N 432.436 2.379 30 10 IEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 1874341025 ZPHBUUCSEMYRSX-UGVMZYNRSA-N 433.534 2.073 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1 1891364626 AFCYLQKLWJUQLJ-VWNXMTODSA-N 433.552 2.349 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(COc3cc(C#N)ccn3)CC2)c([N+](=O)[O-])c1 1892086460 KFKSZXXCXQQXGK-UHFFFAOYSA-N 432.458 2.350 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 1892275240 OEIYEENETAJYMZ-SFHVURJKSA-N 432.480 2.031 30 10 IEEE C=CC1(NC(=O)[C@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993322178 JAXHZGZJKKTYMH-HUUCEWRRSA-N 425.526 2.039 30 10 IEEE C=CCn1ncc(NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(Br)c1=O 2172854120 OITBJZHTCWUMIH-SGMGOOAPSA-N 443.342 2.268 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C(=O)O)[C@@H](C)OCc2ccccc2)C1 2247542147 KBZIDKYUHCEEFE-DDQSDDPUSA-N 430.501 2.468 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2247860313 VFBNOVKFBVLQBY-MPBGBICISA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)CO1 2255525261 AZCHFJHMAPJIML-CYBMUJFWSA-N 436.289 2.406 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255615091 JDWREDPFTILQCI-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC[C@H]1NC(=O)C(F)(F)F 2255708483 KAQBTPXYCPLWSK-VXGBXAGGSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255855702 RMSRYQUCFBUGOL-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2255868066 JWCWZTZSXZGDOY-GPANFISMSA-N 436.358 2.442 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 2256007660 AWMPCVYTLSNFOB-UHFFFAOYSA-N 432.326 2.383 30 10 IEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997157 SUIKLSDXPZMUQS-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267132983 XBMMYORBAMRUHJ-MJGOQNOKSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@]2(C)C1 2267144863 BUBIVKRAEPBHEJ-JLCFBVMHSA-N 446.357 2.038 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2267154853 LMCORQJSSVMTON-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)n1 2267182832 BJRFJZUGFNQQKC-UHFFFAOYSA-N 447.341 2.314 30 10 IEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509805 AUYFJMBOJNYWIJ-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267874380 ZYGYHXCOGMUHPR-LJQANCHMSA-N 436.365 2.416 30 10 IEEE CC1(C)OB(c2ccc(F)cc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2270602046 WUNRAHFMVOYPJY-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccc2F)C1=C(O)c1cccc([N+](=O)[O-])c1 2296938437 OIDRTGZOXLVDPE-SFHVURJKSA-N 430.388 2.165 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)N[C@H](CO)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@H]2O 2297639231 DZPROHKVTKFBQP-LJXAQPPASA-N 448.560 2.244 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2306635745 OBSVHMTXBZASSH-FVRICEFQSA-N 428.533 2.454 30 10 IEEE CN(Cc1nn(C)nc1Br)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2372000144 HMRGBJVLMBTGLV-UHFFFAOYSA-N 426.099 2.047 30 10 IEEE CCNC(=O)[C@]1(OCc2ccc(C#N)cc2)C[C@@H](O)[C@@H](O)[C@H](OCc2ccc(F)cc2)C1 37423376 HXEGDFXFJJASAD-AZKZNFPZSA-N 442.487 2.190 30 10 IEEE CN(C)c1ncccc1N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 430455101 CLNGPSNBFJEMDZ-UHFFFAOYSA-N 427.530 2.083 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)c1C#N 472051126 FDKCBUFIVWZMLJ-UHFFFAOYSA-N 448.531 2.089 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 478843749 IWWZPHWOICHKKB-QGZVFWFLSA-N 447.541 2.331 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 499695786 GYYURRXKVVOHPI-JXFKEZNVSA-N 447.513 2.146 30 10 IEEE CCN(CC)CC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505409435 PHAOURXYSFVHIO-FQEVSTJZSA-N 425.533 2.344 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccc3)c2=O)cc1 514644931 GEPSHYDAJWMVJO-UHFFFAOYSA-N 445.544 2.423 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccc(F)cc1 535893288 YUTHSIHWLSOGMR-UHFFFAOYSA-N 443.450 2.346 30 10 IEEE C=CCn1c(Cc2noc(CCC(=O)c3cccc(F)c3)n2)nnc1N1CCOCC1 544244666 CYAXERFNIISIKV-UHFFFAOYSA-N 426.452 2.229 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCc3ccc4ccccc4n3)C2=O)cc1 552863363 TZQCEXWWVGMIAJ-JOCHJYFZSA-N 441.491 2.077 30 10 IEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 577473118 GQQWGDDFECIFFU-CQSZACIVSA-N 428.518 2.041 30 10 IEEE COCCn1cnc2cc(N3CCN(c4nc5c(cc4C#N)CCC5)CC3)ccc2c1=O 585567002 DJDVSGHTVLGLNS-UHFFFAOYSA-N 430.512 2.125 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)OC(=O)c3cccc(-n4nnnc4C)c3)cc21 586274526 ZWYWIYWUEKFLKC-CQSZACIVSA-N 447.451 2.310 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C 590291855 AGPFHPRBURYDDY-UHFFFAOYSA-N 430.407 2.259 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccccc1C 603800014 OSCKEIJHRDBBBY-UHFFFAOYSA-N 431.517 2.021 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H](c3ccncn3)C2)CC1 603902582 KYEWYGMCWREENA-QGZVFWFLSA-N 447.499 2.124 30 10 IEEE N#Cc1ccc(NC(=O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1Cl 613784844 LFXBYRTXMDBOME-UHFFFAOYSA-N 430.917 2.227 30 10 IEEE Cn1cc(/C=C\C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(=O)n(C)c1=O 728193593 UMZONFRWNAHSEW-TWGQIWQCSA-N 434.427 2.326 30 10 IEEE CN(C(=O)c1ccc(C#N)nc1)S(=O)(=O)c1ccc(I)cc1 734713324 WUUHAKJQPWQRCN-UHFFFAOYSA-N 427.223 2.019 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)c1 737868626 SDNNVMMQWRYEBT-HDICACEKSA-N 441.553 2.460 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCSCc2nc(O)c3ccccc3n2)cc1 740525244 PERUGSXMHGCNBZ-UHFFFAOYSA-N 442.522 2.477 30 10 IEEE CC[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 743513273 VPQVVOXUBFQMNJ-PMUMKWKESA-N 441.557 2.462 30 10 IEEE Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 752617141 VSOPQRURFLYZFM-CJNGLKHVSA-N 435.527 2.225 30 10 IEEE COCCn1c(SCCS(=O)(=O)c2cccc(C#N)c2)nnc1-c1ccncc1 753910027 CBUHQQJALWCGRN-UHFFFAOYSA-N 429.527 2.424 30 10 IEEE CO[C@H](C)[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757550887 OUIACJKXJNMMEI-QRQCRPRQSA-N 436.464 2.133 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CCOC2(CCSCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 771298580 MRVOUQFWGKHUJJ-HUUCEWRRSA-N 437.587 2.065 30 10 IEEE C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 773473847 FKSBYXPLIHBWPB-SFHVURJKSA-N 441.509 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 782396815 HHXRSHARUNVNHW-UHFFFAOYSA-N 432.496 2.372 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 783865207 BABPVGNDTYSVGY-JCYILVPMSA-N 446.504 2.216 30 10 IEEE Cn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)c(C(C)(C)C)n1 789968017 NAHLJRIPNYBDDE-OAHLLOKOSA-N 428.566 2.338 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@H]1CCCO1 799934215 QNOGJGCFYHFAGM-GDBMZVCRSA-N 444.528 2.355 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(C)cc(C)c3OC)cc2C1=O 800417883 SMVUTQXQYZMJSV-UHFFFAOYSA-N 428.466 2.213 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)Oc1ccc(Br)cc1 803765877 NFQQOBSUBPLJGG-IRXDYDNUSA-N 433.258 2.091 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 812175213 LGYQREXWTZBGER-LJQANCHMSA-N 431.562 2.058 30 10 IEEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1116954657 ZFQURFKPNMUCBF-UHFFFAOYSA-N 444.967 2.155 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1125060919 LKAYOGRVEUAPFH-UHFFFAOYSA-N 428.533 2.469 30 10 IEEE C=CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1125883072 GYADHWJLJTYNJL-SNVBAGLBSA-N 426.343 2.212 30 10 IEEE COc1ccc([C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C2CC2)cn1 1131823494 SQKWMMSJMLYNHX-GHTZIAJQSA-N 433.468 2.434 30 10 IEEE N#Cc1c(NC(=O)c2cc(I)c(F)cc2F)nc2n1CCOC2 1134817962 MINBHPPVMIMLAU-UHFFFAOYSA-N 430.152 2.420 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1142751841 SUILJPZDAQSSQM-UHFFFAOYSA-N 428.489 2.199 30 10 IEEE C=C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1148559426 JEVCLIWIPFIHGH-YGRLFVJLSA-N 427.375 2.057 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(NC(=O)OC(C)(C)C)ccn2)c1 1155700638 LMYIEJTUZIVXQY-UHFFFAOYSA-N 444.513 2.270 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@@H](O)[C@@H](CO)C2)nnc1-c1ccc(Cl)cc1Cl 1161334854 ALGNNTDQOQQNKQ-IAQYHMDHSA-N 443.356 2.342 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1Cc2cccc(C#N)c2C1 1164208809 CDRTZVMCXVSEGV-UHFFFAOYSA-N 426.542 2.253 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)on1 1168015125 CXZUCAWILQMUKM-UHFFFAOYSA-N 440.481 2.095 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 1186689198 TVXGRZCMPMREBF-UHFFFAOYSA-N 428.558 2.380 30 10 IEEE COc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(S(C)(=O)=O)c1 1273002816 JNCSIVVQEGLFGG-UHFFFAOYSA-N 436.511 2.428 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286493788 GOBMNRJNLWIWBY-OAHLLOKOSA-N 434.591 2.126 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1286521689 CUVXCYCZULLQAL-JOCHJYFZSA-N 441.557 2.480 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1286549127 DOCSHZXSTAZIED-IEBWSBKVSA-N 432.546 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCCS(C)(=O)=O 1286553769 GASGPXBNZVKOOQ-KSZLIROESA-N 426.583 2.372 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286601310 UHHHBJJNBMEJOM-UONOGXRCSA-N 439.504 2.260 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1286612362 YTRWSPIGUPLROB-UHFFFAOYSA-N 427.505 2.358 30 10 IEEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)N2CCOCC2)CC1 1286664703 BVYUJSXGMRMPGX-UHFFFAOYSA-N 439.560 2.333 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(C)=O)CC1 1286722572 ZOMIKSTXKQFYNS-UHFFFAOYSA-N 445.593 2.119 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1288614389 FFDQSZAIMYYWRD-GOSISDBHSA-N 441.543 2.360 30 10 IEEE Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 1288685228 IBPADOYSHYGXLJ-UHFFFAOYSA-N 427.526 2.137 30 10 IEEE Cn1cc(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 1296263870 FMOYKLYOHXSZBX-WZONZLPQSA-N 439.516 2.335 30 10 IEEE CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)C1=O 1297356260 UNIJGEHELBMKHQ-QGZVFWFLSA-N 444.444 2.210 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccccc2Cl)n1Cc1ccc(C#N)o1 1298198859 PONIBSVTWUNRND-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1300512205 ONLNCVZOBRFTOR-JVODISISSA-N 426.561 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccncc1 1300535655 LGZXVOMYIBYTNQ-UHFFFAOYSA-N 426.528 2.163 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1300692478 GWINEYMUHSOLJF-LJQANCHMSA-N 441.580 2.200 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(C)ccc2OC(F)F)CC1 1300695465 BWYOQXWQCVNTCO-UHFFFAOYSA-N 439.470 2.448 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300884903 MQEHODAYXKJZIT-RTBURBONSA-N 437.610 2.389 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301223405 UQCDSIJZLMHZLF-SFHVURJKSA-N 443.573 2.308 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C 1301368221 ZFFZLLMTXVERDG-LEWJYISDSA-N 430.597 2.113 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cc(Cl)c2c(c1)OCCO2 1301952146 HOONIADEVCXUJT-ZDUSSCGKSA-N 432.912 2.485 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1304851122 AYHHGUYCTQRYCG-QFIPXVFZSA-N 441.555 2.281 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CC(F)(F)F 1305123691 XLSXDIVCCZTDGT-UONOGXRCSA-N 436.442 2.111 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(CN4CCOCC4)cn3)CC2=O)cc1Cl 1306821879 DVVRULIQYITJOG-KRWDZBQOSA-N 439.903 2.430 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3C)n(C[C@H]3CCCO3)c2=O)nc1 1319690771 NKDCDNYQGKEUPI-LJQANCHMSA-N 445.544 2.487 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1358963867 PDVLMCMCMGQXRD-LJQANCHMSA-N 430.574 2.499 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1358974627 MCYQZLHKGFCAPF-HSZRJFAPSA-N 439.560 2.365 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(CCCCC2)O1 1359018194 HRBPASFZKWHUIH-LJQANCHMSA-N 429.565 2.482 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359037582 OZJPMNQXODOYNC-XMMPIXPASA-N 434.544 2.137 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1359065631 VZFZQJGSSSCCQT-DNQXCXABSA-N 445.608 2.422 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1359231597 AGMHSKSUFSOSTC-HNNXBMFYSA-N 438.525 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359330053 FGSQISGSRVJIHW-ROUUACIJSA-N 447.605 2.473 30 10 IEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OCC 1438910343 YKBLSOPLKSLJRQ-KRWDZBQOSA-N 444.500 2.380 30 10 IEEE CN(C)CCOC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1443477959 HXWKODIDYITKGP-UHFFFAOYSA-N 435.366 2.326 30 10 IEEE C=CCN1CCC(NC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1443529387 FZEZVMSRJPLYPB-UHFFFAOYSA-N 428.537 2.177 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 1465089201 XAALYAQVXSODQS-CRAIPNDOSA-N 449.504 2.449 30 10 IEEE NC(=O)Cc1cccc2c1CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 1473712037 RYLWJTXAPCWAAM-UHFFFAOYSA-N 429.442 2.259 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478902185 QBWFVVDQHPPFMC-FQEVSTJZSA-N 437.466 2.233 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1CCOCC1 1495530040 RKYFMQSXGBRDBK-MRXNPFEDSA-N 439.564 2.437 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)F)C1 1503406079 COGASHCRXHBGLJ-INIZCTEOSA-N 438.504 2.190 30 10 IEEE CN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1503423361 LFTUOCWMQOPKRE-CYBMUJFWSA-N 447.467 2.283 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)cc1 1504887520 RVWBDOGDQPCNMK-OAQYLSRUSA-N 440.548 2.381 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507632734 AHGZYWFTVHYUSK-KRWDZBQOSA-N 435.619 2.365 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507750326 QQCLVGBONUZUOT-UHFFFAOYSA-N 426.550 2.043 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1507935658 SCYZWRMYYITTHL-LEWJYISDSA-N 438.576 2.441 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CCOC1 1508145972 SCUJDXGGXBWANI-OAHLLOKOSA-N 440.516 2.221 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1510105018 DIJGMFGCMPTCMD-WBVHZDCISA-N 448.930 2.435 30 10 IEEE CC[C@H](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)OC 1512767879 IENBLFGXIXNEDT-XHSDSOJGSA-N 432.550 2.059 30 10 IEEE CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1514243374 HRECLUVTYAYKNP-PGRDOPGGSA-N 426.521 2.427 30 10 IEEE CN(C)[C@]1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1516998188 HLTDLTCAQLEKDY-FBAVSBLXSA-N 448.637 2.363 30 10 IEEE CNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CCC(C)C 1517592193 BZCMZHWTYPSEGD-UHFFFAOYSA-N 436.520 2.496 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(Cl)c2)CCO1 1521120792 AKZQMJZSBBQDJX-HNNXBMFYSA-N 448.886 2.114 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(C)cc(C#N)c1 1528387744 XKHFWXIYKOFFEZ-UHFFFAOYSA-N 442.541 2.454 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(OC)c(I)n1)C(=O)OCC 1535344624 DRCMCLGEZWZQKM-SNVBAGLBSA-N 438.649 2.499 30 10 IEEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1537428960 JXEOKJBGCANZSY-UHFFFAOYSA-N 441.532 2.018 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1539015679 VRTBQZMORVALJF-HZPDHXFCSA-N 428.541 2.027 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1539111859 BXYRUJIZKFVISO-UHFFFAOYSA-N 449.559 2.431 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(OC)OC)c2)CC1 1539452948 ACCWTAIUDSHWFJ-UHFFFAOYSA-N 446.555 2.359 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCO)CC1 1539462531 IEKJJOYNDBYATO-IBGZPJMESA-N 446.596 2.268 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1540007242 ZRGGBZSWJRPGKF-IAGOWNOFSA-N 437.610 2.278 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540039847 HYQQTKHZYRNZNO-QHCPKHFHSA-N 436.516 2.038 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1540865685 OUMJDQCXHMAOSP-UHFFFAOYSA-N 449.490 2.486 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540876845 CWITZRMGYKKATI-LZWOXQAQSA-N 431.459 2.083 30 10 IEEE N#Cc1cn(CCC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c(=O)nc1O 1543193799 NBJBVVCAAUPPGA-HNNXBMFYSA-N 441.246 2.257 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(CCC#N)CCN2CCOCC2)cs1 1544337246 PPUJPVLPSNFEPB-HNNXBMFYSA-N 437.566 2.417 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)C1 1554405133 BYVXHSCYVCBSPV-DEOSSOPVSA-N 445.527 2.443 30 10 IEEE COCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1555494670 XSJDGYNSFBHOBH-AWEZNQCLSA-N 436.310 2.481 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1555633551 PLUXWNDLPQTUPW-SJORKVTESA-N 439.520 2.318 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2CC2(O)CCC2)cc1 1555988139 SIWYOKISCNFKQJ-UHFFFAOYSA-N 439.438 2.109 30 10 IEEE COCC1(O)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1556068143 TVLWCLRUHAZJMB-IBGZPJMESA-N 429.517 2.392 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@]2(c3ccc(Br)cc3)C[C@H](O)C2)CC1 1560125005 MDVVLXPTSKFGGT-IRFCIJBXSA-N 449.393 2.081 30 10 IEEE N#C[C@]12CN(C(=O)NCc3cc(Cl)ccc3Br)C[C@H]1CS(=O)(=O)C2 1564974728 ARWMOFHXXDMNQU-XHDPSFHLSA-N 432.727 2.182 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCN(O)C2=O)CCN(Cc2ccccc2)CC1 1569560211 HQQBINBQQIKJIV-SFHVURJKSA-N 446.548 2.042 30 10 IEEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc3n(c1C#N)CCOC3)C2=O 1586254520 MNQGVHMGKNCAAV-UHFFFAOYSA-N 442.520 2.140 30 10 IEEE CSC[C@H](C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1587186188 KSRGCIKCQWXARP-VOLVWJTLSA-N 440.569 2.372 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3ccc(CN4CCOCC4)o3)c(C#N)c2N)cc1 1587340530 BNTLNJUAZDIJIE-UHFFFAOYSA-N 448.527 2.422 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1587621124 OYCWNEPFCPSONZ-INIZCTEOSA-N 447.543 2.220 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@H]1C 1587631436 CSMVGNSURMWTAY-HKARXFIJSA-N 447.580 2.390 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H](c1cccs1)N1CCOCC1 1588254530 YNEQAYQMQFCFEE-IBGZPJMESA-N 427.574 2.413 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)CC1 1588865380 WDNZOBZMOVPRJD-UHFFFAOYSA-N 447.587 2.360 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594733507 URBFGVIUPZKNQZ-DLBZAZTESA-N 448.568 2.220 30 10 IEEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC)C1CC1 1595054597 NCYGLWZRKCEPDI-SSEXGKCCSA-N 429.594 2.376 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1595108707 IHPHRLQRYLKSJQ-HXUWFJFHSA-N 438.576 2.427 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)c1=O 1615732613 OVHHOQOJJAUWTF-LJQANCHMSA-N 434.500 2.184 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1ccc(C#N)o1 1619406933 HVDRNCGWMQHDNO-OAHLLOKOSA-N 443.529 2.260 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)C1 1619722814 BGMDHTJMIMVAPI-SFHLNBCPSA-N 441.532 2.253 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1620071317 KREURMUAZJAPMW-WOJBJXKFSA-N 438.532 2.117 30 10 IEEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 1620168975 ZEXZTJAZSRDXFM-UAPYVXQJSA-N 446.552 2.427 30 10 IEEE Cn1ncc(Br)c1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1625332930 UUXSNVOZSAOABQ-UHFFFAOYSA-N 428.294 2.185 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)n[nH]2)c1C 1627244270 YFPWTXVFRGQFBF-UHFFFAOYSA-N 447.543 2.155 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C#N)CO)CCC(=O)N2c2ccc(C)cc2)cc1OC 1627544483 XYVJBIJBPHOQQX-HFJQGTKSSA-N 437.496 2.497 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1632533236 QMWLLGBRGWLOBP-OLZOCXBDSA-N 432.468 2.412 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)s1 1637455669 WWEUWUNNLDMOQP-UHFFFAOYSA-N 428.518 2.397 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1640491569 NZGDYKOWSSLNHY-SJORKVTESA-N 434.541 2.375 30 10 IEEE COC[C@@]1(CO)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1640895785 BJGLBHDTKPERFG-XXBNENTESA-N 429.517 2.250 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CC2)nc1 1640995788 SRICXHSEHAGLJZ-UHFFFAOYSA-N 432.528 2.183 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CS(=O)(=O)CCCc3ccccc3)C2)nc1 1645085028 JDYDVZMFSYERQU-FQEVSTJZSA-N 426.542 2.404 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)CC1 1659310366 SLQWUUTXTIFPRO-RLLQIKCJSA-N 428.581 2.140 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)n(-c2cccc(F)c2)c1C 1659904807 WBVMEFCFCYYHPF-CTNGQTDRSA-N 439.491 2.023 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 1665529593 AEDUTJVDXTYBJE-QHCPKHFHSA-N 441.597 2.469 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)C1 1671459531 SNXARXXRTPDBIK-SFHVURJKSA-N 448.566 2.139 30 10 IEEE CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1671555784 GZHUIIYMQUCPSQ-MRXNPFEDSA-N 427.530 2.078 30 10 IEEE CN(Cc1ncc(Br)cn1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1671577710 WYOKJDQSNQRGNO-INIZCTEOSA-N 443.305 2.448 30 10 IEEE COC(=O)c1cnc(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)s1 1676096221 GCWFJHKFTXNOSG-UHFFFAOYSA-N 436.497 2.381 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)CC2)nc1 1680367200 DFVWQCIXOMIIHW-WIXQSORDSA-N 432.546 2.254 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)cc1 1681108608 BXFWDOYGMUPVEY-INIZCTEOSA-N 425.439 2.474 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 1683051328 JDMVMOBKTDOXKY-IPMKNSEASA-N 432.565 2.193 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 1683230473 UCVAGLUXVHLUBM-MSOLQXFVSA-N 433.553 2.368 30 10 IEEE CNC(=O)[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)Cc1ccc(F)cc1C 1683409385 HQDDXJNUSZWFBI-FQEVSTJZSA-N 437.519 2.442 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1689876874 LFBCQNWDQBIASZ-RLLQIKCJSA-N 440.573 2.435 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1689990058 LCEYEWDBYGBIKI-IFKDRHBRSA-N 442.541 2.384 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690060596 BXSWGSCKUHJDNO-MZKRTTBSSA-N 433.597 2.278 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1690101208 RVGKXMYELQPHCU-UHFFFAOYSA-N 446.515 2.079 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1690153785 AKACBJDWFIYHIK-UHFFFAOYSA-N 444.580 2.244 30 10 IEEE C=CCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1690496804 ZCCQAWXFTCBTAZ-NRFANRHFSA-N 431.516 2.152 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690661312 ZFSKNXZHTQTQTK-SJLPKXTDSA-N 440.548 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690724687 UKTJPWPXAXRSOA-UTKZUKDTSA-N 440.610 2.414 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cnn(CC(C)C)c1C 1694740607 YVCOTPCCHDCFAQ-QGZVFWFLSA-N 448.579 2.427 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1698493783 AJDMLPBBLXGATM-HXUWFJFHSA-N 449.964 2.278 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1705516684 HFSHFJLDMXWNED-GOSISDBHSA-N 430.578 2.101 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1705523331 NZBKUAZGVLJUDB-UHFFFAOYSA-N 444.609 2.487 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705529068 BZZRNOWNOFAYKK-HSZRJFAPSA-N 436.516 2.182 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705546825 NNJARIYKCPTDCU-CQSZACIVSA-N 428.846 2.326 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1705631161 VJEYFPIOJICSHJ-FQEVSTJZSA-N 436.965 2.465 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1705689164 DRGPILISDLQWPC-UHFFFAOYSA-N 435.326 2.451 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705754284 URJOUXILKIFDKT-MNEFBYGVSA-N 436.988 2.261 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CC2(C(N)=O)CCOCC2)CC1 1705772697 SBIZQBNSWJBLAZ-UHFFFAOYSA-N 441.532 2.304 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705826369 CHLVHKSYFNHRRX-CYBMUJFWSA-N 437.342 2.295 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1711799157 MJCFGSNKTBQPPJ-MBSDFSHPSA-N 440.523 2.429 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722343890 KVGJBBBDXUMVGV-JOCHJYFZSA-N 433.553 2.255 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722363800 VPVAXGXDLVQPCG-HZPDHXFCSA-N 434.587 2.332 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1722364352 YZYMUDDGYKBFAC-GOSISDBHSA-N 442.541 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1722405975 JCBXLSNBGNPWTO-QGZVFWFLSA-N 443.548 2.151 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnccc1OC 1722410009 NEBFYAWJAPAYRY-UHFFFAOYSA-N 439.545 2.150 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC[C@H](F)C2)CC1 1722443811 BKAWBEPHLZWCNA-LNLFQRSKSA-N 435.544 2.106 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722509486 PJLZZPYEEUHHFF-QQXKLLMISA-N 438.594 2.023 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722527271 DTWUGKHLPPSCTJ-AWEZNQCLSA-N 440.426 2.286 30 10 IEEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNS(C)(=O)=O)CC1 1722580076 XHDPZLWDZIWRRJ-UHFFFAOYSA-N 428.562 2.233 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1)C1CC1 1722644295 VFJUKNZWQUHEHG-UHFFFAOYSA-N 443.573 2.315 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccccc2)C1 1722709354 OKGPTLRPMMFDKA-CVDCTZTESA-N 425.533 2.203 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCCn1cnnn1 1723976965 IIVXJPRFTPLYFH-HNNXBMFYSA-N 425.472 2.374 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CCO1 1724034972 GOAYIALRKITGJG-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)o1 1727454433 CPFLYMAVNUFQFT-OAHLLOKOSA-N 449.515 2.303 30 10 IEEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1729596703 FXJQKSMVRPHNPF-KRWDZBQOSA-N 447.465 2.122 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1731179853 GREBFCNPCXTSEY-AQOAWAETSA-N 444.486 2.445 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740582207 LIGNGHOUMCURKY-UHFFFAOYSA-N 446.533 2.127 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740588733 FBZMCWAZSNKYRX-QGZVFWFLSA-N 430.553 2.384 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1740596948 NMKJFJIAINKYGF-UYAOXDASSA-N 431.581 2.342 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740665643 LDRJTPLRMIQHMN-GOSISDBHSA-N 443.983 2.396 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)c2ccccc2)CC1 1740704114 HWFSSLCHKLWHKS-OAQYLSRUSA-N 447.543 2.032 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740761321 VUZNNSFZOJQOIL-NFBKMPQASA-N 444.624 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1740764231 BWDCQQRFCSHBFI-MTHXSQLBSA-N 431.581 2.490 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1740765584 ALEWYJVSYRQSDX-FPOVZHCZSA-N 444.624 2.301 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740861622 SMYZVHNBDQHRJJ-UHFFFAOYSA-N 434.548 2.460 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1740931683 UWZOVKRWWFTTRT-UHFFFAOYSA-N 426.540 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740990909 JJRZRKBMLJGNOS-ZBFHGGJFSA-N 439.582 2.106 30 10 IEEE CC(C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741341991 PUINDQJOCAVCCO-OSCRUYLVSA-N 428.537 2.059 30 10 IEEE CCOCc1nnc(N2CCc3ccc(F)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747138490 XSKGRHCMNNWVQL-MRCUWXFGSA-N 440.479 2.043 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1747433416 QMPTVHZHXMHDQQ-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1748698700 WPISVXFFTRDZMV-UYAOXDASSA-N 430.597 2.157 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748906375 DKBQGNMQGACUMP-FQEVSTJZSA-N 437.592 2.087 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749370953 UMZNWCNHISICHB-UHFFFAOYSA-N 437.548 2.387 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)NC1CC1 1749467547 SKCBGGRNZVJEGY-UHFFFAOYSA-N 445.593 2.228 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC2(CC2)C1 1749651253 QNWWZLAYVCFZJK-MRXNPFEDSA-N 429.496 2.476 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCCCCC2)C1 1749651995 FIUYJMMNMDZEBH-GOSISDBHSA-N 435.569 2.234 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1Br 1749668650 CCHDKROVIIRDSO-HNNXBMFYSA-N 434.338 2.483 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1749690279 PONQGAWFFBUMBO-GOSISDBHSA-N 432.546 2.020 30 10 IEEE COCCN(C)CCCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1749768121 LDKQCZZDKLQWIL-NRFANRHFSA-N 438.576 2.445 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1750204653 GCBYXDJWYQBHMO-LJQANCHMSA-N 429.546 2.114 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1Cc1ccc(C#N)o1 1750970347 RSASODSIOJDQCT-UHFFFAOYSA-N 448.409 2.165 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1751298772 AGLUXOWQJYWGEO-UHFFFAOYSA-N 441.532 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(C)c1 1760126731 HUMRYACXEVOREQ-IHPCNDPISA-N 425.533 2.198 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1760184250 HXDUWGGOKOLWOI-JXFKEZNVSA-N 433.603 2.196 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1760215623 HQUSCGWGTFQIHP-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCC[C@H](O)C2)n1 1760252577 PVITZBZHWKRFRH-FPOVZHCZSA-N 449.559 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCOC[C@H]2CCOC2)CC1 1760255213 WBKZIBXVLODIKW-HXUWFJFHSA-N 439.560 2.152 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1760268403 JGHFHRGYZPXIES-ROUUACIJSA-N 442.608 2.009 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N2CCOCC2)CC1 1760399253 FTTFHXSTGWTYEI-UHFFFAOYSA-N 441.532 2.224 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760449791 VGXKUYOIOLOTEH-IBGZPJMESA-N 430.597 2.271 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc(OCC)cc2C1 1760523693 FWSAFIMVPZTGMX-GOSISDBHSA-N 425.533 2.436 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1760569685 XDRXJWJFIQGMEW-UHFFFAOYSA-N 429.594 2.165 30 10 IEEE CC(C)(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)cn1 1760794389 BRQCELLZMBEKQC-UHFFFAOYSA-N 431.500 2.374 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CC1 1770347436 CVOPAHXDGKNEST-UHFFFAOYSA-N 444.561 2.001 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCC(F)F)C1 1770728663 SWDSXEAWVXQMIU-GOSISDBHSA-N 426.399 2.120 30 10 IEEE COCCOCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1771268775 JODGQADEDFHVBA-NRFANRHFSA-N 449.515 2.238 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1771531738 AKVZUEJPHXUDSZ-SJLPKXTDSA-N 445.449 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)ON1C(=O)c3ccccc3C1=O)=NO2 1772787353 GJJPPGRRQYGVPQ-UHFFFAOYSA-N 429.429 2.287 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c(C)c1 1848709724 AHXYKDCXRROQFT-UHFFFAOYSA-N 432.546 2.116 30 10 IEEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)c1cc2n(n1)CCCO2 1848840070 RFQCMTSICXFLNL-LJQANCHMSA-N 427.501 2.331 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C(=O)N(C)C)CC2)[C@H]1c1ccc(C#N)cc1 1848994212 FZZUEDUKISNDNN-RTWAWAEBSA-N 442.585 2.279 30 10 IEEE COc1ccc(C(=O)N2CCC(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2)cc1 1851358082 KRVVVGPSEFBRMM-FQEVSTJZSA-N 436.468 2.178 30 10 IEEE CN1O[C@@H](CC(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)N(c2ccc(Cl)cc2)C1=O 1851569246 JFQZJWCOPZXDCD-AEFFLSMTSA-N 443.847 2.490 30 10 IEEE O=C([C@H]1CCCCN1C(=O)c1cccnc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851781862 FOWDETKENLWUAI-CQSZACIVSA-N 446.451 2.337 30 10 IEEE O=C(c1nc2[nH]cnc2cc1Br)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852762497 JCDFMDNKRNHKRK-UHFFFAOYSA-N 440.201 2.205 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 1853552292 HNTBGPYIXFNECF-UHFFFAOYSA-N 438.528 2.405 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CC2=O)cc1 1857206178 ZUJAIQQEDHFOGZ-LJQANCHMSA-N 431.558 2.023 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2ccccc2)c1=O 1861291836 PZYVKSYPJSSEFC-QFIPXVFZSA-N 431.492 2.246 30 10 IEEE C=CCN(CC=C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(CCOC)n1 1869110911 IXUSTWSXPQWPQE-UHFFFAOYSA-N 443.573 2.054 30 10 IEEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c[nH]nc2c1 1869928232 DLYDXMFPKRMCNI-OAHLLOKOSA-N 429.527 2.362 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nccc(N(C)C)n2)[C@H]1c1ccc(C#N)cc1 1889338888 AYNQQUOJLFEMKP-NHCUHLMSSA-N 438.557 2.124 30 10 IEEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c2ccccc2n1 1889537422 IRJULEKYMAPEFW-UHFFFAOYSA-N 436.556 2.115 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)c([N+](=O)[O-])c1 1892001707 CEDZPUCVVJDDLR-UHFFFAOYSA-N 431.474 2.160 30 10 IEEE C=CC1(NC(=O)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1991911624 RFDCRWBWZZASKV-NRFANRHFSA-N 425.526 2.040 30 10 IEEE N#CCc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 2174786080 GKDDCGYXDBBKKD-LJQANCHMSA-N 429.498 2.069 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2244007447 NKKSEFFJPBKZDP-CVEARBPZSA-N 427.542 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247782568 WZYZPGADWFHZNE-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255654946 GDVJIIZMSWBPPO-NWDGAFQWSA-N 430.232 2.250 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255657743 SZZVHDNPAHAFKA-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2255698487 QJBSHZHQMFTDPD-JKSUJKDBSA-N 433.358 2.500 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1CN(C(=O)OC(C)(C)C)C1 2255699983 WAQSRKLIJZQRAR-AWEZNQCLSA-N 433.358 2.310 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267096149 RFJFBMAVPDLRDF-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2267133699 GAZQLGNDXCTMEJ-GOEBONIOSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267138068 VHADEZKMNAVRHA-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CCC2 2267139855 LSALUGTWBIXVOA-GJZGRUSLSA-N 446.357 2.275 30 10 IEEE Cc1ccnc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267145138 BHIFQVIKCFTTHT-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267217598 JHKRARASSOWLNY-UHFFFAOYSA-N 444.341 2.001 30 10 IEEE CC1(C)OB(c2c(F)cccc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2267414868 ULOGIMFMFXXFIA-IBGZPJMESA-N 444.234 2.408 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC2(C)C)n1 2267502525 OZORBFMCFNEIHG-CQSZACIVSA-N 448.373 2.237 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267592652 GAQSCLQIPAFQPJ-PXNSSMCTSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268663332 JRNAAVSSSGTONU-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCOC1 2268717330 KLKSVUBJDDUPCS-PBHICJAKSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CCNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)nn1 2271502057 VBSYINJPBCGHST-UHFFFAOYSA-N 444.345 2.109 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC[C@@]34CC[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2282018412 WUCFUEZNNPERQX-KBMIEXCESA-N 448.376 2.418 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@H]3CC[C@H](O)CC3)C(=O)[C@@]12C 2297591372 CGQSGZRONCWFIQ-XACMVJRISA-N 441.480 2.462 30 10 IEEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)N(C)C(=O)OC(C)(C)C 2315530926 BVYJLHBURQAXOJ-CQSZACIVSA-N 436.362 2.095 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2315637553 HHGUXGWJIJMCFX-CZUORRHYSA-N 446.334 2.231 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2)cc1 2326251914 WEFHPIQGPPEHEB-UHFFFAOYSA-N 441.513 2.464 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc([N+](=O)[O-])c1 2331569547 REUNLNYUHDQQQY-UHFFFAOYSA-N 433.475 2.402 30 10 IEEE Cc1ccsc1/C=c1\s/c(=C(/C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 3284756 PBEWOTLUXHWPMT-FRKQPRBCSA-N 425.510 2.190 30 10 IEEE Cc1cc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(CO)c2)c(C)s1 22694828 UXBVPMQOBMVBFO-UHFFFAOYSA-O 434.607 2.005 30 10 IEEE CCN1CCN(c2c(/C=C3\SC(=S)N(C(C)C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 33386987 FUTMIURVPIAFJV-BOPFTXTBSA-N 445.614 2.317 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3cccc(OC)c3)n[nH]2)cn1 59887189 WFXXRZLBNXBXEW-RGVLZGJSSA-N 444.521 2.223 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2cccc(F)c2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103129849 OUDJQVDXHIZPDA-LYHOESIGSA-N 430.388 2.165 30 10 IEEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCSC[C@H]3CCO)c2)c1 442079754 HDNCZPAIWNDMPZ-LJQANCHMSA-N 425.510 2.402 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 468184392 VQKBVZSKZNKFDD-UHFFFAOYSA-N 428.510 2.477 30 10 IEEE Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 471107359 PFIFVVBSQBEZKL-INIZCTEOSA-N 443.451 2.262 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)C1=O 473794445 CTOSXGYELDOZEQ-NJYVYQBISA-N 448.523 2.358 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCCSC 478848736 BNUUYZZFLLYAIG-UHFFFAOYSA-N 447.601 2.394 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(CCC)c2)c(=O)n1C[C@@H]1CCCO1 478874587 UUYXALILIHZWLJ-IBGZPJMESA-N 439.581 2.071 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 481474960 BVYYGNJGGFUYJR-WNYOCNMUSA-N 441.486 2.292 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 502658670 NITMIVKUARKHHY-DLBZAZTESA-N 437.363 2.079 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1 522121840 XAXVXLQUNRIFOG-MRXNPFEDSA-N 432.527 2.464 30 10 IEEE COc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)o3)c2=O)c1 525265742 AITSIODTKWNLHQ-UHFFFAOYSA-N 431.473 2.245 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 543871000 SMBCLHKGXZAXLO-UHFFFAOYSA-N 442.273 2.009 30 10 IEEE N#Cc1cc(S(=O)(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1Cl 548473693 MSFTZACUROCGFH-LJQANCHMSA-N 447.900 2.027 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3Cc3cccs3)CC2)n1 549961723 LPWNQFUEJCUDQK-UHFFFAOYSA-N 448.556 2.217 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H](CNC(=O)CC(F)(F)F)C3)cc2)c1N 557406051 VSMBDEBMWQFPDK-CYBMUJFWSA-N 434.422 2.247 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 558963519 OFJUQGDRCJBGHL-KRWDZBQOSA-N 433.459 2.183 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H]2COc3ccc(F)cc3C2)c(C#N)cn1CCOC 574363136 OZPAREZOOICZFW-MRXNPFEDSA-N 430.436 2.447 30 10 IEEE C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 582169545 XRHTWLYNBVTLAG-UHFFFAOYSA-N 437.529 2.232 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cn1 583097159 VMPQMVHVIVCCFY-IBGZPJMESA-N 426.542 2.160 30 10 IEEE CCOCCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609255971 PTLAFQWKYDSIPH-UHFFFAOYSA-N 426.448 2.109 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(N3CCNC3=O)ccc2F)cc1 609990480 NAPSCXDTGYNNRJ-SFHVURJKSA-N 439.472 2.381 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 610208351 FBAFHTLITVQWOP-AWEZNQCLSA-N 433.461 2.124 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)cc2C1=O 642554279 PGTCFYLFTYLQFZ-HOTGVXAUSA-N 434.496 2.407 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C(F)(F)F)c1 727415051 HGPIQSBOBDFARJ-UHFFFAOYSA-N 445.422 2.292 30 10 IEEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C 733198385 WYBBJYFMIYMRQF-YOEHRIQHSA-N 437.587 2.418 30 10 IEEE Cc1cc(I)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 733885691 BYWYULFZRYGPNO-NXVVXOECSA-N 425.226 2.455 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 747243455 SROJTTAQWWSWFN-YFHOEESVSA-N 429.473 2.394 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 758050178 OKPSBSJJBWVDQN-UHFFFAOYSA-N 428.460 2.059 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C[C@@H]1CCCCO1 758117802 UFMZJQVZFRGDFF-AWEZNQCLSA-N 448.317 2.407 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CCN1C1CC1 760224730 QMXCKHRWDLWHPF-CQSZACIVSA-N 428.290 2.135 30 10 IEEE Cn1cc([C@H](O)C[C@H]2CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 766850674 PEDHMLYLHAXAKC-NVXWUHKLSA-N 439.335 2.331 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767872581 RBKHTIVLOTVMGR-ZDUSSCGKSA-N 441.509 2.070 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 767916492 LRFNYHBCBYMWOB-ZJIOXEHGSA-N 428.489 2.069 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)OCCn2ncc(C#N)c2N)C[C@@H]2CCCC[C@@H]21 779206951 VPLZTYORSVDHPY-SNRMKQJTSA-N 437.500 2.362 30 10 IEEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)c1 784126088 UEGGWYCDQJJSFZ-KRWDZBQOSA-N 430.509 2.416 30 10 IEEE C#CCn1ccc(CN(CCOC)Cn2c(=O)oc3cc(Br)c(F)cc32)n1 788370577 VAPYUOKTZRCSAE-UHFFFAOYSA-N 437.269 2.432 30 10 IEEE COC(=O)CCN1CCC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 788699795 BYHSXGUEIKMASU-UHFFFAOYSA-N 431.606 2.130 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2ccc(N3CCCC3)nc2)n1 789965649 AXMLTUCCVODPET-QGZVFWFLSA-N 438.561 2.302 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCO[C@@]4(CCCOC4)C3)nc12 795633071 SNYQNAZKKRHNEL-NRFANRHFSA-N 427.530 2.205 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)COC(=O)c1ccnc(C#N)c1 795965991 DOVXAKMVGCYJNX-UHFFFAOYSA-N 445.273 2.278 30 10 IEEE CC(C)n1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)nn1 796005312 AUDBUPKIKQMUDN-HNNXBMFYSA-N 440.504 2.385 30 10 IEEE C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(N2CCCC2=O)cc1 803601691 UGMQEFYTCWYILD-SFHVURJKSA-N 445.523 2.211 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 825436000 DKMHPNQNRNCZND-NJGYHNCTSA-N 425.466 2.292 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 858077328 BKBFUSMOJHIIOV-BEFAXECRSA-N 440.525 2.177 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)Cn2cc(Br)ccc2=O)CC1 915039705 AXJOHMWFBCUVAG-SHYRYGCCSA-N 438.322 2.473 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 916777780 UBPVAZIZCYNZQX-GOSISDBHSA-N 429.473 2.196 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)ccc1F 918164418 XHUYMUSKZAWPHR-UHFFFAOYSA-N 442.472 2.147 30 10 IEEE C#CC[C@]1(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CCCN1C(=O)OC(C)(C)C 1130218768 IHQADROESXMENI-OPAMFIHVSA-N 448.541 2.131 30 10 IEEE N#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(F)(F)F 1134050793 PFCGZJMGGHQNNY-CQSZACIVSA-N 425.379 2.326 30 10 IEEE CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCCN(O)C3=O)c2)cc1 1141463818 UJTROYOOZGXVGO-IBGZPJMESA-N 447.513 2.305 30 10 IEEE C=CCCn1cc(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)nn1 1180296440 HDTHUFQTJIISNA-UHFFFAOYSA-N 434.338 2.340 30 10 IEEE CN(Cc1ncc(Br)cn1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1233854497 XXIWTYKNIOYRCK-AAEUAGOBSA-N 439.314 2.140 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cc2)CC1 1246382831 RLMYYGLARYQFKF-NRFANRHFSA-N 433.560 2.491 30 10 IEEE COc1ccc(-c2nc(CN3CCN(C(=O)NCC#CCN(C)C)CC3)cs2)cc1 1251708213 NSMIZBQUFJQCKV-UHFFFAOYSA-N 427.574 2.211 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC=C 1286273703 IUVWGIYQYPEKQN-LBPRGKRZSA-N 426.340 2.094 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2OC)C1 1286340943 AMSMVTASWHCBBQ-SJORKVTESA-N 431.562 2.304 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286388759 VHRFUQKOQHHJGP-GOSISDBHSA-N 446.573 2.253 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC)c1OC(F)F 1286407861 UAZUHLIMAWNMMC-INIZCTEOSA-N 443.454 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCn1cc(Br)cn1 1286431692 QMJAWTCKNMMNNH-MRXNPFEDSA-N 431.338 2.294 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286542704 WZFYPLQUGYVSFI-BRWVUGGUSA-N 440.386 2.238 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286613111 QTSRADLAZGNERN-SIKLNZKXSA-N 430.553 2.117 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286776033 VUMNAFFNJJQAIQ-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE CCN1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1296154207 KWYQTYPAVDVQNA-SLNYWTKHSA-N 435.532 2.002 30 10 IEEE CN(C)CCOCCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1298096756 PKLDIKFWSLSJHF-BDTNDASRSA-N 438.576 2.494 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1298586654 XUPTYIJGEHXGGR-IBGZPJMESA-N 446.573 2.283 30 10 IEEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@@H]2C)cc1 1300260429 GEPQSIJUJZXVNA-MSOLQXFVSA-N 428.537 2.325 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1300282828 YFPREVXLDHNNEK-OAQYLSRUSA-N 449.511 2.367 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300344889 KZWBKAUTWVNCAS-IBGZPJMESA-N 431.562 2.275 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)c1 1300369469 FLMHSHOBRLFURU-VGOFRKELSA-N 428.512 2.364 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300421751 QINFNEBSRQSZSB-GOSISDBHSA-N 448.531 2.111 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300495119 DAFBVXNRIAVOMF-BJLQDIEVSA-N 434.606 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(O)CCN(C(C)C)CC1 1300538683 WMHIBFVGXLXACZ-UHFFFAOYSA-N 435.572 2.186 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1nncn1CC 1300658181 YOCJOCIJFDAKHU-UHFFFAOYSA-N 444.337 2.453 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1300695578 DMQZFJGSWCXWDJ-IBGZPJMESA-N 433.560 2.321 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301258068 KHUQTQWBVSALCF-MOPGFXCFSA-N 427.553 2.270 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1302250973 DVJHXAJXTABMSP-ACJLOTCBSA-N 444.458 2.384 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c(OC)c1 1303386397 YXEYBUOSWYRLDD-HSALFYBXSA-N 430.545 2.461 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1306196316 CLHVDOVMJHPOSL-OAQYLSRUSA-N 437.592 2.396 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)CC1 1308915049 SMMXUOZWVPTPGS-UHFFFAOYSA-N 441.532 2.034 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCOC1 1314080335 CWWGNIHZPNHEMY-XZOQPEGZSA-N 441.532 2.244 30 10 IEEE CN(CC1CCCC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1314794945 QHMXYAMXOSHEAA-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE COCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C#N)CC1 1316030187 BANYENRUCXBRGY-UHFFFAOYSA-N 431.566 2.323 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1=O 1316114616 DSFFNXCAFQUDJI-QPIRBTGLSA-N 440.523 2.496 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)NCCN4CCCC4)cc3)CC2=O)cc1 1318420731 JPWXUCUHFXZEEX-FQEVSTJZSA-N 445.523 2.375 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)C1 1320054190 QPHUIVGAQVZHPS-INIZCTEOSA-N 441.981 2.083 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359183404 KOCBKWSKYGMZRK-VVLHAWIVSA-N 425.599 2.352 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359225758 KIGBNYMYFHFDMJ-UHFFFAOYSA-N 431.541 2.328 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1)C1CC1 1359245827 FYKBMQAEFMPYLF-UHFFFAOYSA-N 428.512 2.449 30 10 IEEE Cc1nc(=NC(=O)c2csc(I)n2)n(-c2ccc(C#N)cc2)[nH]1 1360807391 JWRQUEASNRFXJC-UHFFFAOYSA-N 436.238 2.183 30 10 IEEE CC(C)(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(C#N)cc1 1435083336 NHRIOTOJCLWCRA-FQEVSTJZSA-N 434.544 2.248 30 10 IEEE CCCN1C[C@H](CNC(=O)COc2c(Br)cc(C#N)cc2OCC)CC1=O 1436882999 CQZGTHRKPWHQQN-AWEZNQCLSA-N 438.322 2.473 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1449896046 GOKUZWTZXFGWKW-OLZOCXBDSA-N 426.844 2.487 30 10 IEEE Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457202461 QYQHCGFMWQIXIO-UHFFFAOYSA-N 445.357 2.500 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)nn1 1461048665 ZRLHMLKBIVJMDL-CQSZACIVSA-N 437.953 2.468 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 1465393060 YGEWSRZKTPKPCY-SFHVURJKSA-N 448.342 2.474 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1469970361 ZXBDLSHATGPAJX-QGZVFWFLSA-N 426.494 2.028 30 10 IEEE COc1ccc(CN2CC[C@H]2CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470033270 PMDSNYFSQDLQEN-JTHBVZDNSA-N 447.539 2.241 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1471227550 VCCCSUSEHOCDGY-UZUQRXQVSA-N 444.507 2.229 30 10 IEEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1nc(C#N)cs1 1472147274 YXEHPFJZPXNWNT-YHWKNFMLSA-N 436.584 2.343 30 10 IEEE Cc1cc2c(N3CC(NC(=O)COc4ccc(C#N)c(Br)c4)C3)nccn2n1 1472389842 DDGWMISSVSYTAW-UHFFFAOYSA-N 441.289 2.056 30 10 IEEE N#CCC(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 1473482726 CEXNAYJOIRKXCZ-NRFANRHFSA-N 429.524 2.474 30 10 IEEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)n1 1473703703 WMKLBLGIJNRQJC-HSZRJFAPSA-N 430.516 2.478 30 10 IEEE O=C(N[C@@H]1CCc2nnnn2CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1478843385 KZILQZNNVHWULS-HLTSFMKQSA-N 448.318 2.190 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cc1 1492392046 HDDUPKMPTZKDSE-GOSISDBHSA-N 426.521 2.199 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)C1 1494353333 UDGYSNRVZLXCTD-XSAFGROZSA-N 428.537 2.181 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1496695582 HUOFKZBYVGHFPW-FUHWJXTLSA-N 441.584 2.337 30 10 IEEE CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1498049654 FFDUDRXNWWDORH-LJQANCHMSA-N 447.499 2.379 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1504882235 GILYWWRQHSGSKV-SFHVURJKSA-N 429.546 2.114 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507574834 ABWURZHVLONGKA-OAHLLOKOSA-N 446.353 2.489 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccc(OC)c1)N(C)C 1507604861 ITBUXQHSXVYOAV-LJQANCHMSA-N 433.516 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCN(C)C1 1507668647 KGVOTUPXZWQBAO-OAQYLSRUSA-N 442.361 2.237 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1507724274 BFCALWWFODUFMS-UHFFFAOYSA-N 445.449 2.413 30 10 IEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1507790337 GAWURXAGBIRJQZ-UHFFFAOYSA-N 445.314 2.140 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1508088470 SFMVXZIZROFJIY-OAHLLOKOSA-N 438.454 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508133046 CFPLBUDBTQJHFD-QFIPXVFZSA-N 445.589 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCC2(CCOCC2)C1 1508137267 LXZMDHOTUJRDLZ-UHFFFAOYSA-N 431.562 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCCC2)C1 1508147417 KEWSCJCAFOOTEW-ROUUACIJSA-N 438.594 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC1CC1 1508644496 GJZBOALDMOTGNZ-IAGOWNOFSA-N 432.525 2.115 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)N(C)C3CC3)CC2)c1C#N 1511662818 AHDIZKYTLDFCMN-MRXNPFEDSA-N 439.612 2.299 30 10 IEEE C=CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1516157015 UDOMRFAIOSXWPT-FGZHOGPDSA-N 448.523 2.296 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cc(C)c(C#N)c(C)c4)CC3)C2=O)n(C)n1 1522236438 GKHVCMZCYDZLDE-OAQYLSRUSA-N 434.544 2.170 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1528185632 JFAWWEPMZFRSPH-UHFFFAOYSA-N 448.342 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1539011964 DDDSWBGMRKKFLW-ZFWWWQNUSA-N 437.363 2.449 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCSC2)CC1 1539429963 FMENQPQOWKOJCS-HTAPYJJXSA-N 445.564 2.180 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1539668689 CEZAAJSPYBRILP-INIZCTEOSA-N 431.628 2.155 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NCCNc3ccc(C#N)cn3)cn2c1 1540697799 OWTPXRWOBDNCID-UHFFFAOYSA-N 435.488 2.468 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)C1 1540892377 KQFTUDHLPRMUBB-ZWKOTPCHSA-N 434.537 2.343 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CCO1 1541744150 HPHZLLNHQJCZJX-DENIHFKCSA-N 443.573 2.315 30 10 IEEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)cs1 1542895748 VBYROIPRYJUPTD-MRXNPFEDSA-N 431.610 2.465 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1544259705 JGYHWWLWOGZNNS-GOSISDBHSA-N 444.488 2.186 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1552749302 FUSQLYBNMAOOJT-GHTZIAJQSA-N 446.552 2.131 30 10 IEEE CSc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)ccn1 1555871946 HVVRAKROTJLKTG-QGZVFWFLSA-N 446.602 2.475 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1=O 1556455183 DQFOUVYCMQSVSA-OALUTQOASA-N 426.517 2.425 30 10 IEEE C[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H]1CCNC(=O)OC(C)(C)C 1557353338 VNCZTIGSCXRULB-ZUIHOSHSSA-N 434.537 2.445 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 1558234694 CNQMECPOROQPBP-SZMVWBNQSA-N 447.557 2.116 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C2 1583061187 MHVFPSYDXJHLIZ-MRXNPFEDSA-N 433.580 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@@H]1CO 1587604294 VCXKRLLZZMASPQ-PKOBYXMFSA-N 425.533 2.369 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1588030073 PCPIRMDHHCKARD-GOSISDBHSA-N 444.557 2.042 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588065193 VUIHLSDCGKKZPW-IBGZPJMESA-N 448.614 2.374 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1588482935 YRGKQMIWFAXZTP-FQEVSTJZSA-N 448.502 2.064 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2cn[nH]c2)CC1 1588768255 CRTSDINGVWDWQK-UHFFFAOYSA-N 440.349 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccccc1)CC1CCOCC1 1595529857 JZODZZUVUJBIQO-UHFFFAOYSA-N 447.543 2.471 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCCCO3)ccc1F 1598053096 UBDZHQYRMHHWCO-UHFFFAOYSA-N 434.489 2.424 30 10 IEEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C1CCN(C)CC1 1611145083 HKBSTCXDZSJNND-UHFFFAOYSA-N 447.601 2.430 30 10 IEEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1617163902 DLOGRDNRSHNWDA-UHFFFAOYSA-N 437.548 2.139 30 10 IEEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1617697890 USWFYWVRPHAUQT-QFIPXVFZSA-N 449.559 2.311 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)c1 1617765336 UGNLCQRAXFGCEL-QGZVFWFLSA-N 432.929 2.211 30 10 IEEE C=CCN(C)CCN(CC)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1618806511 BECRLAJQMGDIRW-UHFFFAOYSA-N 432.384 2.279 30 10 IEEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CCOCC1 1620035967 ODDAQEIVUMFQMB-IBGZPJMESA-N 433.553 2.124 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)n[nH]2)c1C 1623321524 LQPKVLCDWZKKQY-GFCCVEGCSA-N 428.518 2.214 30 10 IEEE C#C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)cc1 1629255864 AVYDQJUFXPTMAY-OAQYLSRUSA-N 445.972 2.445 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)nc1 1633498094 BWOGXBDOTJZZOL-UGKGYDQZSA-N 436.487 2.003 30 10 IEEE C[C@]1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1633611335 MYYTYVNMKCMOBI-AUSIDOKSSA-N 446.467 2.240 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)s1 1636104599 VJGNJCFIJUOIHN-GOSISDBHSA-N 433.599 2.140 30 10 IEEE CCOCn1nc(C)c(C[C@H](C)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1C 1636271090 RWMNQFKIKAXGAJ-JKSUJKDBSA-N 425.537 2.072 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1639974066 VGGCUGIIUMZYBD-GOSISDBHSA-N 431.452 2.077 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(c2ccc3cccnc3n2)CC1)c1cc[nH]n1 1644128885 GSVDMNUFPHQOFT-UHFFFAOYSA-N 436.472 2.043 30 10 IEEE Cn1cc(I)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)n1 1646096467 VBQAPERERJECIE-GFCCVEGCSA-N 436.257 2.008 30 10 IEEE Cc1sc2ncnc(SCCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2c1C 1648155440 GQLXLACDPGGJHG-SCLBCKFNSA-N 436.584 2.187 30 10 IEEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1652328379 IFTAQQUDFRENMB-CQSZACIVSA-N 433.921 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCO[C@H](c4ccc(C#N)cc4)C3)OC2=O)C1 1656288941 IUYXFHHJUXSZJE-OALUTQOASA-N 427.501 2.484 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](c3ncc(Br)cn3)C2)CC1 1660142460 QESHFZXLRWEBNU-AEFFLSMTSA-N 449.397 2.111 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C 1661318285 GVIVDCUDTATZSK-UHFFFAOYSA-N 430.555 2.224 30 10 IEEE C#C[C@H]1CCCN(S(=O)(=O)c2cc(C)c(I)c(C(=O)OC)c2)C1 1670015599 QDUCXZUKOWCFRA-LBPRGKRZSA-N 447.294 2.420 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1680495744 ZRLAFDHUUXHZAB-VQIMIIECSA-N 431.500 2.338 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 1682509383 REBQOVWETXEABR-IBGZPJMESA-N 428.533 2.230 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[C@H]3Cc3ccccc3)CC2)cc1 1685764700 VMTUYTPBOCUFPL-RTWAWAEBSA-N 438.553 2.453 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OC 1689850986 KDDPMSMFFLBJEI-QGZVFWFLSA-N 432.532 2.362 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689887363 YONXOFYRAIKASI-OAHLLOKOSA-N 440.529 2.021 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1689926582 SQKKJAGFCCNZPH-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1689970874 FZLLZBFGVDOPIB-UHFFFAOYSA-N 428.562 2.091 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(SC)CCN(C)CC1 1690003330 KQYXJECDDYLFNF-HSZRJFAPSA-N 445.633 2.219 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)COCC2 1690095521 SSMDAMRHQQTNFW-DEOSSOPVSA-N 440.544 2.137 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690115929 XHAYOGSVTPZSCG-UHFFFAOYSA-N 445.571 2.221 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1690228472 YBWVPLXSIJDUNZ-HNNXBMFYSA-N 434.342 2.197 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690302898 NSJQOHUJEKROLQ-OAQYLSRUSA-N 426.477 2.162 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690503270 WRKHJEYPCHHMNG-UHFFFAOYSA-N 449.577 2.018 30 10 IEEE Cc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N(C)C 1693243481 LHQCNEYITTVEIH-UHFFFAOYSA-N 431.500 2.267 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)n[nH]1 1693364996 GVFMNUQCKFUMRZ-INIZCTEOSA-N 434.277 2.147 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CC1 1695939037 DNVZSJPUZVYKGP-QGZVFWFLSA-N 425.562 2.421 30 10 IEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@H]2CCOC2)CC1 1698491284 WKMHVBSBXNIXOU-KRWDZBQOSA-N 444.561 2.205 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)COC2 1705622917 ZPBKPCAANJYJNA-DEOSSOPVSA-N 440.544 2.483 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705698719 XSLQZWNZXVTJRU-TZNCUMHOSA-N 436.509 2.097 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1705861799 OZGRJRMPCSRUKZ-IBGZPJMESA-N 445.589 2.288 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705883512 KSZSFKVLUOHHIB-QGZVFWFLSA-N 440.470 2.242 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1706338039 VDBHHZLSPMCRQZ-IBGZPJMESA-N 443.573 2.239 30 10 IEEE C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1708129502 CQOGHLPVTMHTJO-WZGSHADRSA-N 435.532 2.273 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1ccc(C#N)o1 1708729003 HEZUUUPIKRXROC-UHFFFAOYSA-N 441.536 2.062 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)c1 1711698685 LPIJKGUEEIZFPX-NHCUHLMSSA-N 431.468 2.210 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1712877594 PSOADOGQZASZBM-LUQKVYGDSA-N 430.459 2.055 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cc(C)no2)c1 1722308535 CEGGCGXYQHUOQE-UHFFFAOYSA-N 428.456 2.136 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722357994 BVKKDEGFBSFGPH-RBUKOAKNSA-N 435.638 2.467 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCCN(C)C 1722395395 BZJMKPRTHYNIHZ-UHFFFAOYSA-N 431.544 2.130 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C)n2)CC1 1722433458 VYQGJABJXLUMOL-XMMPIXPASA-N 438.576 2.020 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCCOC)C1 1722492892 FOJKZPNKRNKEFR-FHWLQOOXSA-N 435.569 2.029 30 10 IEEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1722703683 ZRKJKGBESNFJIS-QGZVFWFLSA-N 446.983 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2sccc2[C@H]1CC 1722728076 SZCLUUTZOOUMKP-JKSUJKDBSA-N 449.602 2.405 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C(C)C 1727658348 FDEQHYQFGKPAPO-RTBURBONSA-N 426.521 2.115 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)Oc2ccccc2C)CCOC1 1728815753 FLGASQGWIADAKE-YCRNBWNJSA-N 441.532 2.435 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CSCCS1 1729033509 KRNRTSKQTOGCKU-HNNXBMFYSA-N 432.575 2.198 30 10 IEEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 1729590943 IDIKXBFUNBQOOA-UHFFFAOYSA-N 436.520 2.299 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1730923777 ODHKSKLHKYAJQO-UHFFFAOYSA-N 429.521 2.315 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740566456 UPWLUKDFSKYHGA-QFIPXVFZSA-N 441.557 2.011 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1740685493 HAPMDWSNOHVUHP-QGZVFWFLSA-N 436.965 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNC(C)=O)CC1 1740701460 HXTKWQWJYXRIMH-UHFFFAOYSA-N 442.951 2.091 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740739613 WQNOUBVWAHWZIS-AVGNSLFASA-N 431.287 2.025 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740809782 MEFIIYWBJINLDR-GFCCVEGCSA-N 427.818 2.353 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1740941252 GKVUUFUXUNJGMM-SFHVURJKSA-N 448.545 2.007 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC=CCC1 1740960573 VISKDQQQNSKGDH-UHFFFAOYSA-N 430.553 2.461 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](OC)C(F)(F)F)C1 1740984323 ZTPHFLNGYLAXJL-LSDHHAIUSA-N 431.459 2.149 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741988310 NQTUAWSPRQGKRG-KDDVOAFDSA-N 439.520 2.176 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1743886636 BIGPYOWQZLYWBJ-HXOBKFHXSA-N 438.532 2.117 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1 1746334842 GJCRAWMBXHVCCF-SFHVURJKSA-N 444.605 2.420 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](COC)O[C@H](C)C2)c1=O 1746363593 CVYJTWCMKXDXBA-UTKZUKDTSA-N 448.527 2.287 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1748823825 CAYNJWFAQGQKJS-MOPGFXCFSA-N 446.573 2.075 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1749000223 PTOOSVFAWWHUBK-QZTJIDSGSA-N 432.569 2.046 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC2CCCC2)CC1 1749014786 OFGFMLXRACEJGW-LJQANCHMSA-N 429.565 2.097 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749204625 OOXFVINDLUNWIU-QFIPXVFZSA-N 442.495 2.387 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749420843 FUEUNESUVAEYHC-OAQYLSRUSA-N 435.532 2.438 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749457191 HCVSYPSMKXSHJC-QFBILLFUSA-N 448.545 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1749658959 ZRTZHVQARKJZKT-UHFFFAOYSA-N 448.930 2.344 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2OC)C1 1749692997 FAXZLXJGXXBDPN-IBGZPJMESA-N 441.532 2.361 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1750068314 AGYPWZKQVPCLSD-KRWDZBQOSA-N 444.609 2.320 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCCN2CCC[C@H]2CO)CCO1 1750388621 QPVTWEQXHMHQET-FCHUYYIVSA-N 438.576 2.029 30 10 IEEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1752249396 IBXIYCSQVPUJGU-SOLBZPMBSA-N 429.546 2.398 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760133420 DAUXBZBUTLFRAZ-QGZVFWFLSA-N 425.489 2.407 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760190645 STJGPZBSNWPXTG-OAQYLSRUSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1760214944 JHZBCQCVSZTHQS-UHFFFAOYSA-N 445.523 2.481 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCCc1cnn(C)n1 1760246264 UPFOMQTXEQNHPB-UHFFFAOYSA-N 430.516 2.341 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(C)cccc2C1 1760279923 BLPWVTMWLALGSQ-SFHVURJKSA-N 430.599 2.418 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)C1 1760541443 CCGZHUZXLZBHDE-AEFFLSMTSA-N 444.536 2.362 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1761360001 CZMJMPUUIYZFQM-INIZCTEOSA-N 449.515 2.403 30 10 IEEE CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)CC1 1761548234 OKMVHOQLSJBIPQ-INIZCTEOSA-N 444.561 2.205 30 10 IEEE CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1764944346 CFRWAHPVJJXPNN-BMRADRMJSA-N 448.325 2.408 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1766608722 LZHDILILWHLXSS-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)cn1 1767480641 HWWLGJIRQYGMPF-UHFFFAOYSA-N 436.520 2.053 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)CN1CCCC1 1767931724 AGMLMIPZBSQJHF-LJQANCHMSA-N 438.580 2.140 30 10 IEEE CNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CC1 1769353907 HXQNCIVCAWPQDC-UHFFFAOYSA-N 441.442 2.121 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CN(CC(C)C)CCO1 1770172868 MVOYRPNNBDWTSR-FYQPLNBISA-N 434.585 2.097 30 10 IEEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1771274317 WJGMYSCAIFSQHW-UHFFFAOYSA-N 439.495 2.274 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)C1 1771346119 OVIHQRGRHJIYKA-QFBILLFUSA-N 429.546 2.257 30 10 IEEE N#Cc1cccnc1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1849011460 MRMNSVMSAMWXOL-GOSISDBHSA-N 432.480 2.484 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1850250112 VRIDSSGXPQXGRF-GOSISDBHSA-N 447.495 2.068 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(Cc2ccc(F)c(C#N)c2)CC1 1851279521 KKBSTIXNWGRDOC-IBGZPJMESA-N 431.537 2.193 30 10 IEEE Cc1[nH]nc2c1[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2C(=O)[C@H]1CN2CCN1CC2 1851891246 HGNFVWIKTJYOSB-NQIIRXRSSA-N 446.555 2.235 30 10 IEEE Cc1cccc(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1C 1852375974 VPSPZTHKFLWWPP-MRXNPFEDSA-N 439.541 2.484 30 10 IEEE CN1CC[C@@H](C(=O)O[C@@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)C1 1852536952 WEFORUYPIGQTPU-MOPGFXCFSA-N 428.510 2.274 30 10 IEEE Cc1cn2c(=O)cc(CO[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc2s1 1852820718 IEPACEJOZHHSDF-HXUWFJFHSA-N 440.525 2.233 30 10 IEEE CCc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4c(C#N)cnn4C)CC3)CC2=O)cc1 1853279488 SKORMCRQBWNSHD-SFHVURJKSA-N 448.527 2.084 30 10 IEEE Cc1ccc(S(=O)(=O)CCCC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855870322 QDBLGYHFYBKKIY-LJQANCHMSA-N 431.558 2.160 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H]3CCCc4ccccc43)C(=O)O2)CC1 1856722162 QJZRXODPKCEDJG-MOPGFXCFSA-N 431.514 2.019 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(=O)O)cc1 1862629132 OREHTTXEKUSUMP-GOSISDBHSA-N 425.393 2.338 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCOC)=C(N)Oc2c1c(CC)nn2C 1864323712 RDNZBQGEDSYQDQ-GOSISDBHSA-N 426.517 2.395 30 10 IEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865620216 ICMIPWWDQVMLSJ-KRWDZBQOSA-N 425.445 2.238 30 10 IEEE CCCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868795304 JZQKRLHWSGBTLI-MOPGFXCFSA-N 447.605 2.034 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)Cc1coc(C)n1 1869018263 XNMWIIAMFQWGQE-OAQYLSRUSA-N 425.485 2.379 30 10 IEEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562353 YZNRWWSDCGEKRN-UHFFFAOYSA-N 428.581 2.382 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873672601 LVRDKOHBXQTMGZ-UHFFFAOYSA-N 448.483 2.300 30 10 IEEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCCN(CC)CC)ncnc21 1875228783 DSSNHVPNIBLTCN-UHFFFAOYSA-N 446.596 2.496 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NC2CN(c3ccccn3)C2)[C@@H]1c1ccc(C#N)cc1 1891986070 MYTRDMMYLKJACC-FCHUYYIVSA-N 435.553 2.352 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2014679881 LZIGWFCJSYKLEZ-MRXNPFEDSA-N 439.553 2.029 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060637531 MBEDJLKQIDXWAA-UHFFFAOYSA-N 433.358 2.381 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2124532003 HWSAFPJFGVEQSK-AGGWBTHJSA-N 447.345 2.004 30 10 IEEE C[C@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2243387695 ZAWJBNPQCRVWPQ-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C=C(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2246849985 IUEBCNTUXITUPH-NEPJUHHUSA-N 438.252 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2255649029 PWXBTMAFLNKLRE-AWEZNQCLSA-N 431.298 2.164 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255698711 RZRAMGQLCNBFDW-IVZQSRNASA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826006 JCIZQTMSKWHYOW-ZFWWWQNUSA-N 434.346 2.132 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828808 XHVYKKXUYTYMLM-OLZOCXBDSA-N 436.362 2.059 30 10 IEEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)F)ncc1B1OC(C)(C)C(C)(C)O1 2256679636 MFUICLASZGLPRC-FZMZJTMJSA-N 438.309 2.274 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)C2 2267090852 FYCIUGFTVLPGRG-UONOGXRCSA-N 447.345 2.127 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2267151463 JBRCJMTUVSAKAT-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267180934 LCXFHARYDCYPRG-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267184886 YELWGPYYWVHHNT-GOEBONIOSA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1Cc1ccccc1 2267188119 HXSOKMDCEQBEDO-IEBWSBKVSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267282038 ZMQZBFURAZFCHS-NPMXOYFQSA-N 443.353 2.368 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267497107 IVYSNIJIOUORKS-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2CCC2)C1 2267518311 DBNBKQFQYYKUAP-UHFFFAOYSA-N 446.357 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267729512 MHYVCXQSZMSUTN-UHFFFAOYSA-N 448.325 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268652021 ZMBLKKRXYNIXOK-JKSUJKDBSA-N 447.341 2.080 30 10 IEEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268671829 NPTNYXXXHZVREF-UHFFFAOYSA-N 443.313 2.434 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(O)c1 2329013098 ZWFHMMZRYBSOKS-MRXNPFEDSA-N 444.561 2.209 30 10 IEEE O=C(c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCc2ccccc2C1 2686714 JWZOHFRLBBVYHC-MOPGFXCFSA-N 427.551 2.375 30 10 IEEE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815035 SIGUGBDKBHBQFU-XQNSMLJCSA-N 425.470 2.096 30 10 IEEE CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C#N)c4)cc32)no1 46145586 OMERHZPEZLITDM-UHFFFAOYSA-N 439.453 2.230 30 10 IEEE Cc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccccc2)cc1 254484388 NADUHCVWMAAGLE-QGZVFWFLSA-N 448.483 2.030 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](CC)Oc2cccc(C(F)(F)F)c2)CC1 431764386 ZXEIJQJUVVZKBM-KRWDZBQOSA-N 442.482 2.492 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CO)c1cccc(Br)c1 443489537 MLVDKDOOALIPJE-ZDUSSCGKSA-N 426.248 2.241 30 10 IEEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482517565 ZQZWEPDNCPCVQX-CVAIRZPRSA-N 447.557 2.195 30 10 IEEE Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N[C@H](CCCC#N)c1ccccc1 487263659 DRIKREFOPLRUIL-LJQANCHMSA-N 429.488 2.416 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(CN4CCOCC4)cc3)C2=O)cc1 503992731 HADNMKHTBZSTGO-HSZRJFAPSA-N 447.539 2.385 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)ccc1Cl 513451032 FENCHOGHIZUGAN-MRXNPFEDSA-N 431.967 2.227 30 10 IEEE N#Cc1ccc(N2CCC(NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1 513655522 MTJXNVKDQBEGEB-UHFFFAOYSA-N 446.598 2.399 30 10 IEEE C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccc(C#N)cc1 518748148 HKEQZBLGYXAPRJ-HNAYVOBHSA-N 441.509 2.327 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)[C@H](C)C2)n(Cc2ccc(F)cc2)c1C 547315242 DZDFODASJPAQTD-CQSZACIVSA-N 432.521 2.221 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 549248833 ZEZNTYXXXCFFRN-MSOLQXFVSA-N 430.484 2.482 30 10 IEEE CCOc1cccc(CCNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 561832533 GTPJTODQSGXLGY-UHFFFAOYSA-N 434.540 2.350 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 563773534 DPRGBULSMOIKHT-NRFANRHFSA-N 445.479 2.310 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Br)cc2Cl)CC1 581330040 NYSWZCXIQYCVHY-UHFFFAOYSA-N 429.746 2.232 30 10 IEEE COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587646971 DZQKYNUPOGNORN-NRFANRHFSA-N 447.539 2.281 30 10 IEEE COc1cccc(/C=N/Nc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)c1 606631280 XVWVKTRUTWNHCB-ZMOGYAJESA-N 432.484 2.245 30 10 IEEE N#CCCCOc1cccnc1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 608883503 FUHPALFHLOAOFX-FQEVSTJZSA-N 433.468 2.178 30 10 IEEE COc1cc(-c2noc(CS(=O)(=O)Cc3ccnc(C#N)c3)n2)cc(OC)c1OC 610954726 DOZCWNZJBKPFPD-UHFFFAOYSA-N 430.442 2.144 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c1 614904080 NHUBYMXYWDHHTH-GOSISDBHSA-N 426.538 2.216 30 10 IEEE CCc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnc2c1c(=O)n(C)c(=O)n2C 677222399 LTWUVRRVLDGOSI-LBPRGKRZSA-N 437.456 2.433 30 10 IEEE C#CCN(C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)[C@H]1CCS(=O)(=O)C1 729332386 OQPCXXXGDHCJKC-FQEVSTJZSA-N 437.521 2.484 30 10 IEEE Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143114 QZRZXQYMKAOYOJ-GOSISDBHSA-N 429.546 2.491 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1 730560004 VOXVDYZXGDTELE-UHFFFAOYSA-N 435.546 2.070 30 10 IEEE N#Cc1ccc(OCCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 742103469 OYUPYHDZDBYFOM-UHFFFAOYSA-N 440.525 2.352 30 10 IEEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)C[C@@H]3NC(=O)NC3=O)c2C#N)C1 751577675 QXNKWYSAUURSCO-RISCZKNCSA-N 446.529 2.241 30 10 IEEE C#CCN(C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1)C1CCCC1 757203523 PGTVSDZSNOFAEI-UHFFFAOYSA-N 440.588 2.359 30 10 IEEE O=C(O)C#CCNC(=O)[C@@H]1CO[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757488393 DXUHBQWDWZCCEV-IRXDYDNUSA-N 448.475 2.134 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)OC[C@@H](C)CS(C)(=O)=O 757993119 RPSDBYPRXUTFAH-LLVKDONJSA-N 434.308 2.322 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1 765357723 CVHRWYAUHJQOOA-SJORKVTESA-N 446.529 2.034 30 10 IEEE C[C@@H](NCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1ccc(C#N)cc1 775164195 WJUKRCHFYMGJSZ-JVCXIRSZSA-N 438.553 2.354 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)nc1 782030120 HTGHKMCZYLZEQQ-QGZVFWFLSA-N 449.330 2.185 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790639258 MDEYCOLKBKLMAF-HSZRJFAPSA-N 436.597 2.249 30 10 IEEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)ccc1Cl 790683291 OZSAARBSPNDYDA-OAQYLSRUSA-N 431.876 2.051 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCN1C(=O)OC(C)(C)C 790784076 KRVWBJSXWDDLLR-FDDCHVKYSA-N 434.581 2.097 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)Cc2ccc(I)cc2)cc1 793113536 TVOAHUMXCOLXAB-UHFFFAOYSA-N 440.262 2.352 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2)CCN1C1CC1 802245152 CWZSYWVKRWULJR-LJQANCHMSA-N 447.568 2.494 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)CCCN1C(=O)OC(C)(C)C 804556661 BGTMYPIRMDAGTP-ITEAAPOESA-N 434.537 2.311 30 10 IEEE N#Cc1ccc(C(=O)NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cc1 810733707 ZOZOVEHTQMQCRH-UHFFFAOYSA-N 428.195 2.487 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 811453283 IRTQTXGIKOOXNG-CABCVRRESA-N 440.422 2.231 30 10 IEEE Cc1ccc(-c2nnc(COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)o2)cc1 914885203 OTYDTNRGWDZNBV-UHFFFAOYSA-N 426.454 2.217 30 10 IEEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1 1084036667 XKNSCNBAVSPDNI-UHFFFAOYSA-N 443.283 2.084 30 10 IEEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3cc(Cl)ccc3O)n2N)n1 1084111872 AUWBFJSCLSVWPW-UHFFFAOYSA-N 438.926 2.293 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCCSCc2ccccc2C#N)C1=O 1124659892 BVEWDGGOBKIYCF-GOSISDBHSA-N 431.558 2.488 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1131718309 OWTXAPZCJFJOLE-INIZCTEOSA-N 432.454 2.439 30 10 IEEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1133173292 JUIAQOXDLJPFOE-UHFFFAOYSA-N 440.562 2.447 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1OC 1136879078 SDIOZWHZRNYFKP-PONJGIIJSA-N 447.557 2.303 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)C2=O)cc1 1140112215 VPEOSDMOGCAXNV-CVDCTZTESA-N 433.468 2.034 30 10 IEEE CN(CCN(C)C(=O)C(=O)/C=C\c1ccc(F)cc1)CCN1C(=O)c2ccccc2C1=O 1141657400 OLDGPSPDCGFCOD-XFXZXTDPSA-N 437.471 2.094 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)c1 1147451748 HQZAZLWBCIWOJZ-UHFFFAOYSA-N 432.473 2.275 30 10 IEEE C[C@@H](CC(=O)N1CCC(C)(N2CCCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1154304312 MQPUZNMAWYCRKF-KRWDZBQOSA-N 432.590 2.371 30 10 IEEE CN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)[C@H]1CCC[C@@H]1C#N 1175250368 RWULRKVGUMZEOV-QUCCMNQESA-N 430.574 2.374 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCc2sc(S(N)(=O)=O)cc2C1 1196292964 DFMDWBWMQMDQDR-JTQLQIEISA-N 436.584 2.203 30 10 IEEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1198414158 DSYBPTWDZAGDNG-OAQYLSRUSA-N 431.602 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1248484951 LSUFBPBSYDAIQC-VGOFRKELSA-N 445.520 2.142 30 10 IEEE CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CC[C@@](C)(C#N)C1)n2CC(C)C 1280275875 RYTWKEUEFDNPSA-QFIPXVFZSA-N 428.537 2.449 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286356498 QYKXFKRJKOPZHZ-UHFFFAOYSA-N 445.589 2.439 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCCC2)nc1 1286415616 PUASSRBXUWECQF-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286505946 CCMVCGWGQLEBLD-HUUCEWRRSA-N 445.511 2.043 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@H]1C 1286799397 UVLTYWSQUURVLB-IEBWSBKVSA-N 425.533 2.452 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)C2)cc1 1289362889 XECVQKIQXCRMMD-GOSISDBHSA-N 432.542 2.260 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1c(OC)cc(OC)cc1OC 1300268952 XETDNXNMUWSPGE-OAHLLOKOSA-N 429.521 2.143 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1300301661 TXYGHAAFRXMEBF-IBGZPJMESA-N 442.537 2.341 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCN(C(C)=O)CC1 1300303001 FXULLJWVIGUDCH-GOSISDBHSA-N 447.543 2.222 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2CC)c1 1300334210 IJLXKOHQGMYNAR-PZJWPPBQSA-N 436.560 2.323 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1300631152 MFCXXTZNKHORAQ-GOSISDBHSA-N 432.546 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccccc1Cl 1300649638 ODKXYLQNFVGTEA-OAQYLSRUSA-N 433.940 2.063 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)NC(C)C 1300656325 DFPOYJRBMFCNRM-UHFFFAOYSA-N 440.367 2.380 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(O)cc2)CC1 1300684881 BXRNONSCNSAZHJ-XMMPIXPASA-N 439.560 2.022 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300764171 ZBNBMYOJJZXQMY-IBGZPJMESA-N 441.605 2.272 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1300777614 ZHFJBKJIZGNAQS-MRXNPFEDSA-N 431.537 2.454 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300879104 ABKMCMUHUGNNFC-XLIONFOSSA-N 439.564 2.457 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301222401 WJYIKUJTVOHRGK-AWEZNQCLSA-N 434.484 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(c2nc(C)no2)CC1 1301508762 UBWGXVDEIUVUAX-UHFFFAOYSA-N 442.549 2.011 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)cc1 1301518593 KQOWXPUZBPQRNA-UHFFFAOYSA-N 425.514 2.188 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[S@](C)=O)cc2)C1 1301535242 JODDKVVKTQHYLH-KKIUXKEOSA-N 445.589 2.124 30 10 IEEE CC(C)Cc1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1302933205 IVBIAGHHZQRZNL-QZQOTICOSA-N 443.596 2.314 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3c(O)nc4cccnc43)CC2)cc1 1303537490 MFJKYTTZJQTJEI-UHFFFAOYSA-N 441.513 2.079 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1304359764 MQTJJACRDJTZLE-IXDOHACOSA-N 445.582 2.203 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(O)(COCCO)CC1 1310863786 QSFJUAQDCHEULB-UHFFFAOYSA-N 429.311 2.382 30 10 IEEE CCN(c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1313613056 DZPFYOREHZPBAL-VHEBQXMUSA-N 429.550 2.395 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@H]1CCCO1 1314728750 FAOVQLVZCIPCDZ-UXHICEINSA-N 438.532 2.323 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(-c2ccccc2)no1 1316209862 MAGPFRSGIXBOQP-LPHOPBHVSA-N 438.488 2.434 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359088379 JHSIZADDONCZDG-KRWDZBQOSA-N 441.418 2.328 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359294856 HFZZBJJKBXGUOY-MRXNPFEDSA-N 428.537 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCOCC2(CC2)C1 1359333789 JZYPFTBTIVCMAC-UHFFFAOYSA-N 434.537 2.226 30 10 IEEE C=CCc1cc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc(OC)c1OC 1442527798 UFFJDFMJZHHUAI-KRWDZBQOSA-N 447.532 2.126 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1447860392 DGUKHOHFYMLVDL-HOTGVXAUSA-N 425.526 2.045 30 10 IEEE Cc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)cc1S(=O)(=O)NCC#N 1452992443 PNFRQMMWYYHRIO-IBGZPJMESA-N 429.498 2.384 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)c1C#N 1457569291 KJFNNDZWMLZQRK-JPYJTQIMSA-N 436.516 2.421 30 10 IEEE N#CC1(C[C@H](O)CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCC1 1459477214 GUDLEPJWSOEQTO-KRWDZBQOSA-N 436.350 2.417 30 10 IEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OCC 1462504398 ZHOXKPCADHRHGO-IBGZPJMESA-N 438.546 2.110 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)C1 1464879485 HPEDWSDJIJLOPR-JQHMZKTJSA-N 437.504 2.270 30 10 IEEE C#CCN(C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1466847588 CBXWJHDNHLUBGR-QMTHXVAHSA-N 437.371 2.169 30 10 IEEE Cc1ccc(OCCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1492407596 IAMCXGLHWNOTKS-HXUWFJFHSA-N 438.532 2.411 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)OC(C)(C)C)cs1 1492682195 RLZJSUNMTVWHHP-MRXNPFEDSA-N 447.565 2.277 30 10 IEEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[C@H](C(F)F)N1CCOCC1 1492949083 PZPVTSMYIJCVNQ-UXHICEINSA-N 446.502 2.392 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1502377318 IBCIAMRCWLDWJJ-UHFFFAOYSA-N 446.515 2.037 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1503651310 VDIRUXXUYXBAOV-LAUBAEHRSA-N 448.522 2.165 30 10 IEEE Cn1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)n1 1503660671 DYVKDCIJYNJFCQ-SFHVURJKSA-N 447.316 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cccn1 1507636774 KGQNWALSPQNQSH-UHFFFAOYSA-N 435.919 2.221 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC(F)F)c1 1508080961 UTFJFDVCBLAXCT-UHFFFAOYSA-N 431.447 2.219 30 10 IEEE COc1cccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1518350596 IRQXBKNHHNSECF-XUVXKRRUSA-N 426.521 2.170 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1518748212 HXPQJQMYHWXECJ-RTBURBONSA-N 428.512 2.355 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1519515740 UKSWSVKTIMYGML-CRAIPNDOSA-N 433.534 2.089 30 10 IEEE N#Cc1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)cc1 1537093782 WUSCWKARCMQYGM-SFHVURJKSA-N 445.260 2.405 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539140432 NXQNYMDJPPJESV-GCJKJVERSA-N 433.553 2.447 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCCCC2)nc1 1539231454 SKBITOPSKCTJHC-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE CCOc1ccc(NC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 1539394010 HDVDKZYLPYTSHE-CKJXQJPGSA-N 433.530 2.375 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1539558932 RAVLJMSZHGTZGM-JOCHJYFZSA-N 425.508 2.282 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1539919178 WZPBWNFBQAECOZ-UHFFFAOYSA-N 430.553 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1540865159 WYHDNFJEUCVVQQ-LPHOPBHVSA-N 443.573 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1540865160 WYHDNFJEUCVVQQ-QFBILLFUSA-N 443.573 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540866166 FFMUKPVBVFEFHE-HIFRSBDPSA-N 437.903 2.280 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1540874312 BNHKUHWJFKGOAL-UHFFFAOYSA-N 448.531 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1540903865 IZXXKNKFHSBQDR-KRWDZBQOSA-N 439.626 2.353 30 10 IEEE Cc1ncsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1542067307 FPCZDBLJXWJNJY-KRWDZBQOSA-N 442.570 2.448 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCO[C@H](C)C2)n1 1543011082 BIUUPXYADPMFFT-YLJYHZDGSA-N 428.585 2.237 30 10 IEEE COc1ccc(NC(=O)COc2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2OC)cc1 1544117135 OPDFTIWPANJIRJ-HSZRJFAPSA-N 440.500 2.295 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)OC(C)(C)C 1545860836 HFBILGQXNLASHG-UHFFFAOYSA-N 433.557 2.461 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1F 1555948761 HRLTWMHFIOXFPR-QAPCUYQASA-N 447.536 2.490 30 10 IEEE N#Cc1cnn2c(O)cc(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)nc12 1559998110 RFGICGTYQGWNAJ-IBGZPJMESA-N 428.290 2.079 30 10 IEEE C[C@@]1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)CCO1 1560182816 QGWAUEAOKVRGCE-IKXXZMEWSA-N 448.932 2.107 30 10 IEEE N#Cc1ccc(NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1C(F)(F)F 1562429824 BKTPUMACVIPRKN-QGZVFWFLSA-N 425.455 2.495 30 10 IEEE Cn1cc(CNC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1567483526 RVRPFLZGAMRNCT-HSZRJFAPSA-N 439.516 2.337 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H]1c1ccnn1C 1583323452 HWDCYXFISMFJSD-UXHICEINSA-N 425.489 2.396 30 10 IEEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](C)CS(=O)(=O)CC 1586205375 VZPHRVKAASMBDE-BAQZJKQNSA-N 441.594 2.445 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1587759039 MXLRPEZWMZIVRB-NRFANRHFSA-N 442.608 2.458 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1588045021 FOASAYWFPNMTKS-KRWDZBQOSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588064804 PIHLFKXPTZEASZ-NHCUHLMSSA-N 441.601 2.160 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)N1CCOCC1 1588166482 HLUXNRFSCDLCMA-IBGZPJMESA-N 439.585 2.373 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3ccc(OCC(N)=O)cc3)C2)C1 1588300057 BVAJWSXJZLXTMN-HVPFBLEYSA-N 428.489 2.276 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1588314674 MUNCXIVKMZEDFT-UHFFFAOYSA-N 430.516 2.340 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1593806726 DODNIWZKYCSRHW-GFCCVEGCSA-N 428.902 2.185 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1595738421 OTUZQXZLSQBLIL-YADHBBJMSA-N 440.592 2.402 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)F)C1 1611244197 GXDGEZVDGJDHHZ-YPMHNXCESA-N 429.445 2.172 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCOC1 1617779607 BPCDQUWHUUJWRS-ZOKDDAQRSA-N 429.546 2.255 30 10 IEEE C=CCC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1618325594 SIGAUINPEYYPSX-MRXNPFEDSA-N 438.546 2.296 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1 1623739845 AECUQWKTVOUSIU-MDASCCDHSA-N 426.498 2.105 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)CC2)o1 1626617211 DYVWDFMJQIKTPP-UHFFFAOYSA-N 437.544 2.214 30 10 IEEE C[C@H](CC(=O)NC[C@H]1CSc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 1631006801 QLJFRZHRIRJPAB-KGLIPLIRSA-N 431.539 2.173 30 10 IEEE CCC1(N2CCOCC2)CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1634188198 OVCDGIDBZLRKNO-OAQYLSRUSA-N 439.560 2.340 30 10 IEEE C#CCN(C(=O)[C@@H]1CSCN1C(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1634818451 QODWDCBYZQQJQP-INIZCTEOSA-N 425.551 2.379 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 1635704999 TWFHURPUDRHFRN-GUDVDZBRSA-N 432.546 2.275 30 10 IEEE COC(=O)CN(Cc1cccc(Br)c1)C[C@@H](O)CC1(C#N)CCOCC1 1642961117 SDGRBCYPYQOGDY-KRWDZBQOSA-N 425.323 2.495 30 10 IEEE N#Cc1ccc(N2CC[C@H](N3C[C@@H]4[C@@](C(F)(F)F)(CCCS4(=O)=O)C3)C2=O)cc1 1648566279 YUXSUMLADJHLSG-LZLYRXPVSA-N 427.448 2.105 30 10 IEEE Cc1cc(O)nc(N2CCC(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 1652484928 MGKIILVZYXPQSG-UHFFFAOYSA-N 443.548 2.226 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 1654625742 SZOVQGRTLRGJLB-UHFFFAOYSA-N 448.526 2.447 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OCC 1654789214 GZEBIVLRXVLARL-JSRQGNBESA-N 438.521 2.188 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 1654836475 XCDBKBQYBWABNQ-UHFFFAOYSA-N 436.555 2.165 30 10 IEEE C#CCN(C(=O)NCCCCN1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1679282967 SJVORWWXRHDXLB-UHFFFAOYSA-N 435.613 2.058 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 1684036913 RQMKGYCNGQDVPY-SFHVURJKSA-N 432.521 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCN(C(C)C)CC1 1690006208 KFOCODYIEPPPFC-UHFFFAOYSA-N 436.516 2.161 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCC[C@H]2C)CC1 1690134656 ABJRQXBXYXYQKL-FSSWDIPSSA-N 444.624 2.022 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N(C)CC(=O)NC(C)(C)C 1690219850 MKGSTIRXIJRAOK-ZDUSSCGKSA-N 432.363 2.262 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690236597 OVSAJONLSGRGPI-LNLFQRSKSA-N 427.553 2.125 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCSC)CC1 1690411162 GLGZVUZNVDZMCY-KRWDZBQOSA-N 443.639 2.157 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)c1ccccc1 1690442148 NKIYNQFOLYBUAX-HSALFYBXSA-N 436.560 2.491 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690643631 LGFZCMSESNAIDH-SFHVURJKSA-N 431.562 2.177 30 10 IEEE CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccnc1 1691579184 AUOGALFBEYBZHW-OALUTQOASA-N 446.515 2.489 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCCC1=O 1692162846 ODHFYDZDRNXECX-UHFFFAOYSA-N 437.548 2.414 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1698075411 AGRUPRPSZMSOKM-FQEVSTJZSA-N 445.527 2.343 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705559643 DMXAZNXZNXWHNV-SFHVURJKSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705584260 DBVYIQCXGAVJJV-NHCUHLMSSA-N 435.572 2.450 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1705609574 JEFAAEHCDZKZQW-MRXNPFEDSA-N 430.530 2.001 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OCC)CC1 1705680879 IVJWHGLPHACWJZ-CQSZACIVSA-N 446.346 2.189 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705732569 DJDMEXCLVNLLPQ-JOCHJYFZSA-N 441.557 2.424 30 10 IEEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNS(C)(=O)=O)CC1 1705781816 IMTNNMRQFBELAN-LJQANCHMSA-N 447.561 2.132 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1705819141 DVNUMKROZDGAMO-IRXDYDNUSA-N 432.546 2.423 30 10 IEEE C=CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1705852425 QTQYSQXUWYVATJ-MRXNPFEDSA-N 431.562 2.390 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1705939565 GIERRQMILAMIEK-UHFFFAOYSA-N 429.594 2.359 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCSC1 1711045611 HTFXSPPHGYOYMJ-IRXDYDNUSA-N 447.586 2.105 30 10 IEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1712713614 FIFXZGJJNDINHU-MJGOQNOKSA-N 444.561 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(CC)cc1)N(C)C 1722276377 ICRSVOZBEWBXRO-SQGPQFPESA-N 446.621 2.212 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1722371605 XIKRSCXRPXIPTI-AZUAARDMSA-N 444.557 2.203 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccccc2F)C1 1722422712 SLVYTCAWQSFILK-BRWVUGGUSA-N 449.552 2.232 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H]1COCCO1 1722425156 OXKNZUDLEFVOPI-NRFANRHFSA-N 436.516 2.022 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722434844 XMZDBDTVLKFSGI-NRFANRHFSA-N 441.601 2.230 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1722508064 KFTUEZYZAOSFAH-MKXGPGLRSA-N 438.594 2.167 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722557649 YQKOKJGDHIBVJU-INIZCTEOSA-N 430.944 2.165 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1722609029 QETLXNKEKBSUEQ-LPHOPBHVSA-N 449.577 2.441 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@@]2(CCOC2)O1 1726665827 ACPAEESBQQBHLC-VGOFRKELSA-N 443.573 2.317 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1726691169 DNNLIMVWIZMQMM-ORQRPPJRSA-N 427.534 2.130 30 10 IEEE CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)c1 1728662536 JYGMGTMQGXSUFZ-LJQANCHMSA-N 436.541 2.457 30 10 IEEE CN(C)CCOc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1729337918 GUMHXNHDMWAKJY-PGRDOPGGSA-N 428.512 2.213 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 1729631630 CPOJFZRCYNPJNM-GOSISDBHSA-N 439.564 2.033 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C1CCCCC1)N(C)C 1730955902 NSGUXALBRUSPBG-TUFLPTIASA-N 446.596 2.241 30 10 IEEE C#CCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740596491 GZKQNPISHLZNGG-DHIUTWEWSA-N 442.564 2.218 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740621415 XDCQFVYQMGIRNR-TZIWHRDSSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCCC1 1740638478 LRBAAGWTIQZDLW-UHFFFAOYSA-N 443.555 2.405 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CCOC)c1 1740771792 DMRZPULAHOXRJG-UHFFFAOYSA-N 427.509 2.299 30 10 IEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1740813720 GTWUVWBCZRVHEN-UHFFFAOYSA-N 443.939 2.001 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnn(C)c1 1740953200 YKUGEWOQCXBOFE-UHFFFAOYSA-N 430.516 2.474 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740961240 QEYSBPYAHHWNEV-KSFYIVLOSA-N 445.951 2.209 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1741131445 FSDFIQLZDFFYBJ-DOTOQJQBSA-N 446.577 2.397 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1741133339 PUIFWQXWJLZVBM-KFWWJZLASA-N 448.618 2.406 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1741133419 QMIHEORJAJRNFU-GDBMZVCRSA-N 445.545 2.332 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1741185334 PUJYQIYEWKOVEB-UHFFFAOYSA-N 440.548 2.455 30 10 IEEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)cnn1C 1742062168 MXDQJJVLCORBGO-LJQANCHMSA-N 432.532 2.410 30 10 IEEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1744132569 DKMBZZNTHSOJQT-MGPUTAFESA-N 432.504 2.424 30 10 IEEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)F)CCN2C1=O 1748047215 KGLULTVAKBKVHD-MRXNPFEDSA-N 431.447 2.002 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748739128 WTBHKVHGOADWJR-UHFFFAOYSA-N 436.969 2.267 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1748929676 NFNMORPIULJNJZ-JOCHJYFZSA-N 438.576 2.278 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(OC)CCOC1 1748960215 DOTILPWRCYGTAF-QHCPKHFHSA-N 437.500 2.492 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(N(C)C)nc2)CC1 1748980075 YBDBTLWLFSYZPT-UHFFFAOYSA-N 431.544 2.218 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749037906 ILVRHCNFPBWNEC-GOSISDBHSA-N 440.548 2.486 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1749159449 VCUPJIQTAVJYCG-OKYOBFRVSA-N 437.610 2.450 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1749317343 RVQYEOVXKQNIOA-ACRUOGEOSA-N 432.613 2.185 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749370445 JXYYNVBKKBFLPA-SFHVURJKSA-N 432.594 2.384 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1)C1CC1 1749515789 CYIAQROJRURMFQ-UHFFFAOYSA-N 426.546 2.426 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1750089194 CPNUANJROHVERZ-FQEVSTJZSA-N 436.520 2.303 30 10 IEEE Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CC3)n2Cc2ccc(C#N)o2)cc1 1751580046 KFZBEZRXHZZZON-UHFFFAOYSA-N 440.529 2.392 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1760143309 BYHDEVNTROEZRP-UTKZUKDTSA-N 430.509 2.003 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C 1760220228 XVWCKRAJCHGOLH-LJQANCHMSA-N 426.542 2.031 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1760249565 OEWPEDSMRHFZFG-QFIPXVFZSA-N 437.588 2.357 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCCO)CC1 1760256851 VSFNGLCQCLXIKZ-UHFFFAOYSA-N 438.359 2.406 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1760275230 SIBFSLMSNXRMKR-INIZCTEOSA-N 439.593 2.231 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](COC)OC)CC1 1760398933 RXKKRPJBFVXGFB-GOSISDBHSA-N 434.562 2.412 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1760464170 BEKZOJPXNMWICO-VQTJNVASSA-N 445.589 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1760519248 XDDHPKJOOQBCSP-HXUWFJFHSA-N 427.549 2.440 30 10 IEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1760665206 BDZJYVIJHVJBGT-UHFFFAOYSA-N 440.548 2.242 30 10 IEEE CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1763996092 OSXULDSAFQEDJS-INIZCTEOSA-N 431.566 2.466 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H](C)O1 1765307479 HZIPZZBIFDKLEK-ZLFGVDQTSA-N 441.532 2.272 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1766932337 JZNDXBKIRBTSHX-FQEVSTJZSA-N 448.575 2.197 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(F)CCC2)CC1 1770677057 VKLIWMDPYNHINT-UHFFFAOYSA-N 426.496 2.394 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1770920386 DVFYRJNYNTUTJE-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccc2F)nnc1N1CCSCC1 1771564858 XFHYQZKXDHMPTF-FMQUCBEESA-N 442.520 2.088 30 10 IEEE CCOC(=O)[C@H]1CN(Cc2ccccc2)CC12CN(S(=O)(=O)c1ccc(C#N)cc1)C2 1848669861 MKYHGWGWUNGGFV-OAQYLSRUSA-N 439.537 2.244 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)CC1 1849012777 UMFIKVZIVKYDGV-GOSISDBHSA-N 438.528 2.037 30 10 IEEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)[C@H]1CC(=O)N(C2CCN(C)CC2)C1 1851474022 LOQMHZIQYPYYOX-INIZCTEOSA-N 436.516 2.024 30 10 IEEE CCOc1ccc([C@H]2Cn3nnc(C(=O)Nc4c(C#N)cnn4C)c3CO2)cc1Cl 1851565242 QDMXFDGNOCARDA-MRXNPFEDSA-N 427.852 2.459 30 10 IEEE Cc1nn(-c2ccccc2)c(NC(=O)[C@H](N2CCS(=O)(=O)CC2)C(C)(C)C)c1C#N 1852085287 CNRKCRIVIWBCNX-SFHVURJKSA-N 429.546 2.136 30 10 IEEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2nc(C3CC3)ccc2C#N)CC1 1852795584 GKXNLPCREFTDOZ-UHFFFAOYSA-N 443.511 2.378 30 10 IEEE CN1CCN(c2cc(Br)nc3c2N(C(=O)c2cc(C#N)c[nH]2)CCC3)CC1 1852897009 AVWUKHVCLVVQGL-UHFFFAOYSA-N 429.322 2.389 30 10 IEEE COc1c(Cl)ccnc1CN(C)CC(=O)NCC1CCN(c2ncccc2C#N)CC1 1853306271 GBKOLRVKMXWVTE-UHFFFAOYSA-N 442.951 2.475 30 10 IEEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C[C@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1855161119 DESMMOBRFJVXRT-ROUUACIJSA-N 430.574 2.396 30 10 IEEE C=CCNC(=O)[C@H](CCSC)NC(=O)Cc1cc(Cl)ccc1S(=O)(=O)CC 1861005898 SRAAJTNTHAWDMS-HNNXBMFYSA-N 432.995 2.216 30 10 IEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861775087 TZWGWMZGZQBNJA-SFHVURJKSA-N 439.965 2.421 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1C(=O)O 1862628978 LBKGBMIWBCBOJV-GOSISDBHSA-N 425.393 2.338 30 10 IEEE C=CCNC1=C(c2ccccc2Cl)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863779972 WMLOUFXYLPCPRT-UHFFFAOYSA-N 445.928 2.086 30 10 IEEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 1870109232 OBAIHTXSBLHNES-QGZVFWFLSA-N 444.451 2.196 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(N(C)C)cc3)cc2C1=O 1870143101 WXXFCXATAWXVBD-UHFFFAOYSA-N 443.467 2.462 30 10 IEEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870444662 FHIXTKVQDNRDGT-UHFFFAOYSA-N 435.521 2.029 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1CC 1873548084 NESLJKPFXQXKCY-UHFFFAOYSA-N 432.532 2.382 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccncc3)CC2=O)cc1 1874197771 AMQWNZCZYNMRDN-OHHQFBAHSA-N 438.513 2.169 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3cccc(Cl)c3)CC2)CC1 1890195357 CZHFIZUZYVLWIU-UHFFFAOYSA-N 433.980 2.367 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2010228486 ZVMREWYZVGFVEL-HZMVEIRTSA-N 439.553 2.074 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060639085 DUFCKIFCQCJUGU-BZUAXINKSA-N 435.374 2.088 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)=C[C@@H]1O 2067765129 UUVDNUKPJHCLHD-BQJWPVKWSA-N 434.342 2.121 30 10 IEEE C#CCOCCCNS(=O)(=O)c1c(Br)cc(N)cc1Br 2204295511 HFGVYDIQNFKDAA-UHFFFAOYSA-N 426.130 2.112 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224081401 PPVZLUCKHAMNRX-KRWDZBQOSA-N 433.358 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831877 GCFABHUYDRHPJM-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247832860 WTVXJJNYDKQKSI-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2255695318 CSTZOSNDLYCTRC-OYHNWAKOSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2255817033 OSPPZBCQAVTPSX-UHFFFAOYSA-N 435.305 2.213 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]2C1 2255854686 FPZNXZBTQDGKKN-RCDICMHDSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021395 IGJOVROMQDUELM-KSSFIOAISA-N 434.342 2.487 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256618291 PKUMEWZNERRKRM-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE COc1cc(CNS(=O)(=O)N(C)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2260893037 MLFWLKBEMNKFSY-UHFFFAOYSA-N 446.378 2.461 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267144223 STVYIKYEESBXAL-GJZGRUSLSA-N 446.357 2.369 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1 2267168615 SPXAAQLVGREAHU-UHFFFAOYSA-N 444.234 2.184 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267172872 ZSNJUBFEKVKEOI-CQSZACIVSA-N 446.357 2.103 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 2267198092 TWQHZCPFNBMTHC-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267271362 RMRGNUVEBVPTOQ-GOSISDBHSA-N 446.353 2.352 30 10 IEEE Cn1cc(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267525868 KDVAZAUSMCGJDL-DEOSSOPVSA-N 438.381 2.361 30 10 IEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267600415 FTSKXRFAOJINLH-INIZCTEOSA-N 449.357 2.337 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881350 ZRFVWMCAYISPBZ-CABCVRRESA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267884777 SQFYLLRZTPHVIE-KGLIPLIRSA-N 446.357 2.197 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268636961 JABFULQCAUMQQW-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE COc1[nH]c(=N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2317501491 KKPODSQCWDMCGI-JLJPHGGASA-N 431.342 2.231 30 10 IEEE COc1cc(C=Nn2cnnc2SCC(=O)NCc2ccco2)cc(OC)c1OC 2321272448 GWQNVNADCQAQMF-UHFFFAOYSA-N 431.474 2.188 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2337291741 JQDWHGIHNHFUFT-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NCc2ccccc2)n1N 20805352 DEHUTDUVMYQYEQ-FOKLQQMPSA-N 441.565 2.241 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)/N=c2\sccn2Cc2ccccc2F)c1 31090059 KOMQMOOVUQNPPE-ATJXCDBQSA-N 429.498 2.390 30 10 IEEE C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCCc3ccccc3OC)co2)CC1 34677597 HTSHQTVAOBHCLR-FQEVSTJZSA-N 442.560 2.100 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 63287181 WFENWGSGOSGVGH-UHFFFAOYSA-N 428.474 2.162 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)CC1 97570680 GMQOZWCMKPWAFA-VQHVLOKHSA-N 436.487 2.310 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CCO2)c1 463273183 YNZOPCVTVAFWTQ-HXUWFJFHSA-N 425.464 2.212 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC)c2=O)n1 477014611 TVEUEMLLVNTFSP-UHFFFAOYSA-N 435.505 2.118 30 10 IEEE CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)Cc1ccc(C#N)cc1F 478158131 MKCIRMBNSXHFKO-UHFFFAOYSA-N 433.461 2.259 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2C(C)C)c1=O 478746950 NESSPBXMCNAWPR-UHFFFAOYSA-N 434.521 2.268 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CC(=O)N2C(C)(C)C)cn1 480073260 WFLLHTBQIVYDMW-FUPPJEDESA-N 448.571 2.345 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481067380 BALMGTSLKBTMOT-AUUYWEPGSA-N 444.488 2.434 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 483451514 YKCBUAHUAKLQTN-CQSZACIVSA-N 428.518 2.327 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](CO)Cc3ccc(F)c(F)c3)C2=O)cc1 488268323 XVCKESSYIDQROO-GHTZIAJQSA-N 442.466 2.088 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc21 488447337 VSSMKMUZEAFHTE-GOSISDBHSA-N 429.436 2.254 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 512362866 NCAZHNORGMAJAN-NRFANRHFSA-N 436.512 2.396 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)n2)c1 516202666 GSDSKDVIHZADKD-ROUUACIJSA-N 427.464 2.393 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 531587488 YAGRGZUWLAVUDG-INIZCTEOSA-N 439.482 2.270 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 534914172 RXCVCMFQKVFYIQ-HXUWFJFHSA-N 425.510 2.209 30 10 IEEE C=CCc1cc(CNC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc(OC)c1OC 543047028 YAGGXSORFAYNQW-SFHVURJKSA-N 441.532 2.156 30 10 IEEE CC1(C)NC(=O)N(c2cccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2)C1=O 550668599 BURRWLGJRHXZOG-UHFFFAOYSA-N 433.472 2.142 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)c1 550868591 QENWDIYXXAGWGJ-UHFFFAOYSA-N 443.507 2.489 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC1 555483990 IVUFFNGRKVXESH-SFHVURJKSA-N 438.532 2.372 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1-c1ccsc1 559073403 KVLZBRXVDZBQHE-UHFFFAOYSA-N 438.559 2.128 30 10 IEEE CSc1nc(O)c(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1C#N 609393368 OHADBQYVYPBZAH-INIZCTEOSA-N 439.541 2.008 30 10 IEEE CC(C)(C)CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 611429045 LWSRTPVZQQCWJF-NRFANRHFSA-N 443.567 2.115 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669813878 XWFRTIOYEGFDJH-GHTZIAJQSA-N 438.576 2.052 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1 732696287 BCEHPOGPZWJPOE-VQIMIIECSA-N 431.562 2.311 30 10 IEEE CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732707218 VTLGLUVJLNYXHF-HXUWFJFHSA-N 425.533 2.086 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 732812623 CTIDYRQSMCYKFW-GDBMZVCRSA-N 426.439 2.425 30 10 IEEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735345965 ZHRXEBRSNDLPKQ-CYBMUJFWSA-N 438.889 2.258 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC2CCC(C(N)=O)CC2)cc1 735864377 ZZCUMQVWNVJOHQ-NCELDCMTSA-N 449.577 2.445 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2I)cc1C#N 747498741 QJISMZNFAUIYJN-UHFFFAOYSA-N 435.221 2.426 30 10 IEEE COc1ccc(-c2noc(=O)n2CCCC(=O)ON=C(N)c2cccs2)cc1OC 749133360 XYPLGVSZERXOIP-UHFFFAOYSA-N 432.458 2.226 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(COC)c2)c1=O 758050718 HMJQCVNOOVPCEY-UHFFFAOYSA-N 444.512 2.084 30 10 IEEE C#CCN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774014589 AOSMEOXXMRXJKK-HNNXBMFYSA-N 445.463 2.196 30 10 IEEE CC[C@@H]1C[C@@H](C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1 779755204 XOMZHICRIKJXCM-LSDHHAIUSA-N 426.495 2.219 30 10 IEEE C=CCOCCNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 780815321 ZGHSZZYOCAORAR-GOSISDBHSA-N 444.557 2.432 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)NC3CC3)c2)cc1OC 784491196 QSPWMZNSNQLRBU-LJQANCHMSA-N 435.480 2.277 30 10 IEEE N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccc(COc2ccccc2)c1 787752742 AQSZSKIFBQPBBH-UHFFFAOYSA-N 429.480 2.377 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)n1 789223524 UCMYWCOKGFQOKB-UHFFFAOYSA-N 436.516 2.331 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)Cc1ccc(C#N)cc1F 790847554 ZUATZISCYKDBAF-UHFFFAOYSA-N 440.541 2.012 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1noc(-c2cccc(Br)c2)n1 793987646 GQZQCKGIWGUAGX-MSUUIHNZSA-N 446.261 2.032 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2CC(N3CCCCC3)C2)C1=O 794441108 MGPHUHZQMBZXQI-UVFMYSFISA-N 429.590 2.077 30 10 IEEE Cc1nsc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1C#N 798241137 SFSVYWDCFUDQOZ-UHFFFAOYSA-N 425.923 2.411 30 10 IEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 800775119 KITRNMANZOFVOQ-KRWDZBQOSA-N 441.532 2.224 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 803465555 DWAFRUIAHZCOMY-FITBRXPOSA-N 441.528 2.256 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)nc1 810692919 SLHQCARULKBCQV-IYDISJPVSA-N 438.487 2.049 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NS(=O)(=O)c3ccc(C#N)nc3)CC2)CC1 812529526 FBLUAICSAUUITQ-UHFFFAOYSA-N 449.577 2.095 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 816693795 SETJQRYGJKJLAT-QGZVFWFLSA-N 449.916 2.441 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 854358428 XSGHUCHYTAIWFN-KRWDZBQOSA-N 449.573 2.283 30 10 IEEE Cc1ccc(-n2nc(CCCNS(=O)(=O)c3c(C)nn(C)c3Cl)c(C#N)c2N)cc1 917896107 NHXVVVNBUQUBHZ-UHFFFAOYSA-N 447.952 2.241 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 1124734821 IYPPVBVSMVJWRE-PACYTGELSA-N 445.497 2.039 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)cc1 1125155761 OIXYHQFEGXIDCQ-JOCHJYFZSA-N 427.526 2.280 30 10 IEEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1136915887 PNAGADANZCGWTF-DLBZAZTESA-N 428.470 2.171 30 10 IEEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](CO)c1cccc(Cl)c1Cl 1146297342 FREYETJKXVVTSP-AWEZNQCLSA-N 442.324 2.224 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1147337805 VQKRZTXQGCKGEZ-SFHVURJKSA-N 429.521 2.021 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(O)C1=O)c1ccc(Br)cc1 1159325075 QMSBSDPVMOMMTO-FZKQIMNGSA-N 442.310 2.295 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3ccncc3C#N)CC2)cc1 1189711210 NAOLGXDSBNZYBZ-INIZCTEOSA-N 430.555 2.275 30 10 IEEE CCOC(=O)[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@H](O)c1ccc(Cl)cc1 1213159012 BXFQZQVXSZQCMO-ZWKOTPCHSA-N 440.880 2.435 30 10 IEEE Cn1ccc(N2CCC[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)n1 1265473347 OXGBDUURVYNYNQ-JKSUJKDBSA-N 432.525 2.009 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1286339099 SNHPIZUGQBYENZ-QFIPXVFZSA-N 443.935 2.271 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286348433 WSXPCEHQLFCQOU-LJQANCHMSA-N 435.532 2.433 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286495810 GAKGKLOIRMVWJE-INIZCTEOSA-N 426.594 2.398 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286561209 LZUWCTCKZCNNGH-UYAOXDASSA-N 439.564 2.411 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCS(C)(=O)=O)CC1 1286641299 WLDLVJJXQZDQQT-UHFFFAOYSA-N 425.942 2.211 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1286794145 YCLZQTJHNBJHQH-MSOLQXFVSA-N 433.459 2.288 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287012841 UZQLTZAINHTZBT-WQYLVOBCSA-N 440.504 2.273 30 10 IEEE Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c(O[C@H]2CCOC2)c1 1289676204 BFLKGDMLAODYJU-WDSOQIARSA-N 438.532 2.492 30 10 IEEE CN(C)CCN1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1290337632 RBXOQMXYAVFLLY-NRFANRHFSA-N 441.576 2.098 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3nn[nH]c3n2)cc1 1291832109 KGUKIINYOXICAG-JJIBRWJFSA-N 427.490 2.198 30 10 IEEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1297528321 MVBDSATWGGIWOR-CQSZACIVSA-N 425.482 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1S(C)(=O)=O 1300526554 JQOJFBBDXBKBRB-MRXNPFEDSA-N 431.949 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)c1ccccc1 1300579737 YYZSDPFHKYKJGV-QGZVFWFLSA-N 432.496 2.435 30 10 IEEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)C1 1300745847 NHBFUEINWFTBEU-UHFFFAOYSA-N 438.326 2.149 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCC(C)CC2)CC1 1301105260 GGAVPLHYERPGTC-MSOLQXFVSA-N 438.642 2.411 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301186493 ANMRWSYGKPUMHN-DLBZAZTESA-N 428.541 2.060 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@@H](C)O1 1301370908 BLUAYEWIFGRRTN-VQIMIIECSA-N 431.562 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301568737 XGZOMFKFHSBPHB-CVEARBPZSA-N 441.598 2.352 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C)C2)CCOCC1 1302121279 QYPCZNRPSPHFFV-SFHVURJKSA-N 441.532 2.254 30 10 IEEE N#CCc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1302138082 WJQPFISXIPFNKL-UHFFFAOYSA-N 433.253 2.110 30 10 IEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1303262246 CGIWEZOBHXNFAF-FQEVSTJZSA-N 436.564 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)NCC3(C#N)CCC3)C2)CC1 1312883338 IEYSCRNBYZEGAT-KRWDZBQOSA-N 433.553 2.181 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313956492 GIBIZTPHEQGTBO-QFIPXVFZSA-N 426.544 2.118 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCOC[C@@H]1OC 1314406323 HHUIGCNYDDYTJQ-HKBOAZHASA-N 441.532 2.316 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCCN1CCOCC1)[C@H]1CCOC1 1314702175 UKACXBGPUIRLIZ-FQEVSTJZSA-N 440.548 2.066 30 10 IEEE CNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C#N)c1 1315049458 DYRAKMFAPCQSDH-UHFFFAOYSA-N 428.500 2.161 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1358891836 NKRHQDKKNQHECU-MOPGFXCFSA-N 444.580 2.306 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1358902768 YUUBHVNPCIEZHH-QGZVFWFLSA-N 441.557 2.037 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1358915932 UMWAIDCVWXMVGR-HUUCEWRRSA-N 429.502 2.187 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358959211 DTVRMBFPMCSBMQ-WOJBJXKFSA-N 441.601 2.365 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358962774 WSQWNBZDIXSIRL-LEWJYISDSA-N 441.601 2.475 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 1358967692 QEZFCZLZBBJCNX-LJQANCHMSA-N 439.541 2.038 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1358979268 HYMMZZJPYMWKIX-MOPGFXCFSA-N 443.548 2.086 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CN1CCCC1 1359023679 RPQPRFIPWHQRDN-UHFFFAOYSA-N 442.564 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cnn(C)c2C)CC1 1359047098 QRPLFVRTTGTHNC-UHFFFAOYSA-N 445.571 2.119 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359192614 KCAPTSDJKDJASL-AUSIDOKSSA-N 433.597 2.442 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1359208922 XAQATZATMGCPBI-HNNXBMFYSA-N 439.611 2.028 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359296100 WZRQAGBIOGOSGP-SPLOXXLWSA-N 449.914 2.424 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1359299391 DFZXOMNVTPLQKD-MOPGFXCFSA-N 425.533 2.380 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1359300495 DAWPVUTZZOWQBC-INIZCTEOSA-N 429.521 2.046 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359336525 STUFGNRWGBVFCZ-KRWDZBQOSA-N 434.610 2.174 30 10 IEEE N#Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1436403244 UKUIQARYKCNEDC-UHFFFAOYSA-N 431.539 2.163 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1438152769 JPOXKEQKQUZHEK-STQMWFEESA-N 427.452 2.166 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1442725128 LOFNZYXGIHYEAP-UHFFFAOYSA-N 449.891 2.375 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c(C#N)cn1CC 1466880374 CDIBUWHJGGOVLA-ZDUSSCGKSA-N 436.415 2.396 30 10 IEEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)CC)CC1)c1ccc(Br)cc1 1469416982 UKJYEYLKLTYRGZ-MRXNPFEDSA-N 428.352 2.237 30 10 IEEE COc1ncc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1C#N 1471780983 GJPIKWNADVOIBI-OAHLLOKOSA-N 438.506 2.140 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1478567042 DVHUJFBCURWRKY-FQEVSTJZSA-N 448.479 2.050 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1479059430 AANDAXSRJJYBIC-HOJAQTOUSA-N 434.581 2.282 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1492722428 BTVRCYBFHHHAQN-JOCHJYFZSA-N 427.553 2.457 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1504600659 ZNQBYWSBKYGGKY-LJQANCHMSA-N 439.495 2.420 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1504957392 BECZXIUYSXGKPU-FUHWJXTLSA-N 439.582 2.099 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1505123506 HSHKMIVZGJTWEY-OAHLLOKOSA-N 447.471 2.080 30 10 IEEE C#CCCCn1c(N2C[C@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598743 IEHNMIBXXKIQJD-BDXSIMOUSA-N 442.564 2.177 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507675645 DEBUTNSFRFHDBQ-PZJWPPBQSA-N 434.544 2.261 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)c(O)c2)CC1 1507728421 TZABIQZFFYOWBC-UHFFFAOYSA-N 438.557 2.152 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1507749152 UGSJQBXVJFEPTA-CQSZACIVSA-N 434.363 2.386 30 10 IEEE C=CCN(c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1507995282 HUGDXUHMKYUWJX-QFIPXVFZSA-N 446.573 2.124 30 10 IEEE C=CCn1c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nnc1[C@]1(OCC)CCOC1 1508066545 BHHXPJKIFAVRQL-NRFANRHFSA-N 428.493 2.351 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCO2)C1 1508114383 ABQAIXVJQKVIRB-ROUUACIJSA-N 432.546 2.309 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1508139648 IHCCIMACZVVJBX-UHFFFAOYSA-N 445.589 2.229 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1515960342 ZXOVEPVHMNYWFI-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCS(=O)(=O)C1 1516334298 DYNRYLVEQPZJGH-IAGOWNOFSA-N 447.561 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](C#N)C1 1534303722 AYDQKHNSJMWPOE-HIFRSBDPSA-N 434.443 2.289 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1539162172 OGRLLLHMQAJREI-JOCHJYFZSA-N 432.488 2.108 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539201924 CSNWWHFXXWWNAC-OAHLLOKOSA-N 449.543 2.087 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539221090 NPEDGJSPPJTAEP-OALUTQOASA-N 445.589 2.458 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539221340 ZXANHEXXNRPWBD-RTWAWAEBSA-N 443.617 2.406 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1539226444 YBSJRPGORDPZGI-SFHVURJKSA-N 431.537 2.173 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C2CC2)cs1 1539324854 YEVKPTHXHITIOH-MRXNPFEDSA-N 429.571 2.025 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1539542225 WMIZGNXHPOLUDW-PMOQBDJRSA-N 431.581 2.032 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539574485 LLAGVPQRWLKQIG-YPMHNXCESA-N 425.331 2.173 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1540033859 RQQRBXMKHUMISY-UHFFFAOYSA-N 429.525 2.385 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540039643 DLJXZHHRCMVLEG-LSDHHAIUSA-N 431.459 2.149 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O)C1CC1 1540099017 PHNVTJLKCUQGDT-UHFFFAOYSA-N 445.545 2.346 30 10 IEEE CCCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCS(=O)(=O)C1 1540708611 HJRWAIRHKKINGZ-NHUHVJRWSA-N 439.578 2.199 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1540872237 HNMWLJXIFXPSJV-MRXNPFEDSA-N 430.503 2.124 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)nn2C)C1 1540895505 UAVQKAXENNYFLH-QGZVFWFLSA-N 441.561 2.141 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1544153525 WHDRHMKMMMJXED-GHTZIAJQSA-N 440.569 2.376 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1546190940 HTOHTRWMJDWKQG-DYESRHJHSA-N 446.552 2.231 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1546313554 HCOQXSLKAUDRBL-LJQANCHMSA-N 437.504 2.253 30 10 IEEE COCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CCOCC1 1555300720 DLLUSYWLUNNMOH-LJQANCHMSA-N 438.532 2.180 30 10 IEEE CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555919861 SXMPOPMTHGCVOK-UHFFFAOYSA-N 437.577 2.415 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC[C@@H]2CCCO2)CCO1 1555994856 KNQKWTHHVQHGBM-OALUTQOASA-N 429.496 2.322 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1557386201 QOGLTBPHSNKBDK-XMSQKQJNSA-N 428.489 2.206 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1562198035 ZSCAXSFFANXVRV-RBUKOAKNSA-N 437.562 2.325 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccc(C#N)c1 1585726039 OAFNIYGXLRSOLI-NVXWUHKLSA-N 439.434 2.481 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1586564828 IHYKCPOMTYWMIT-QGZVFWFLSA-N 439.903 2.069 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccco1 1588240884 GQWOUFMGGHYADS-UHFFFAOYSA-N 441.495 2.003 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2cccs2)CC1 1588954489 HWSOJTWGXYQSQS-JOCHJYFZSA-N 427.574 2.166 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1589652141 PLUMALOVYXMLLR-QHCPKHFHSA-N 438.532 2.229 30 10 IEEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593610946 IXQFXSJZPJNYTA-UHFFFAOYSA-N 428.924 2.102 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1595013664 FLMBMPZXZBXGFX-BBWFWOEESA-N 447.502 2.278 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C)C1 1595689142 SABGLLUIVBINCE-FUHWJXTLSA-N 433.578 2.080 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC[C@@H](CC(=O)OC)C1 1603466590 VAMSLNMKKXHUKV-HLLBOEOZSA-N 435.546 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C2(c3cccc(C#N)c3)CC2)C1 1611545448 BTLLREOPLWSYOM-SFHVURJKSA-N 447.557 2.130 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 1611574711 XRGJAQAYDFJGNH-UGKGYDQZSA-N 431.496 2.479 30 10 IEEE C[C@H]1CCCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1612808263 DTNOAPKDKUJWPA-PXNSSMCTSA-N 428.512 2.457 30 10 IEEE CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1614592549 MURQKMIXEVAJTQ-HTXNQAPBSA-N 425.449 2.226 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 1615836875 ABHNORDAHMMPIM-VAMGGRTRSA-N 437.592 2.456 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1615888616 GFIHUGWMFORVHG-KNQAVFIVSA-N 437.592 2.051 30 10 IEEE N#Cc1cccc2c1CCCN2C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1616596491 IKHNPGORXCOAPC-UHFFFAOYSA-N 429.473 2.311 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)cc1 1616997060 ARHJLNONZYVSII-INIZCTEOSA-N 431.436 2.251 30 10 IEEE CCOCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617109644 MXPWQQHKPAWSMZ-IBGZPJMESA-N 425.537 2.192 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1619987935 DBHLPXHEPXVYKW-LJQANCHMSA-N 448.612 2.367 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCCCCN2CCCC2)CCO1 1620354872 LZDODFYXRXACRC-HXUWFJFHSA-N 443.596 2.289 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1623391668 WQJRPOXCQYBNTI-IBGZPJMESA-N 443.544 2.409 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623849535 CEVLHXZDJLUJID-HTAPYJJXSA-N 429.521 2.016 30 10 IEEE CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1630543337 LWIGKZKAAPMPKT-OAHLLOKOSA-N 436.534 2.353 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCN=S2(=O)CCCC2)CC1 1631556613 PNNQGPDKHQXHEC-UHFFFAOYSA-N 431.518 2.401 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1634585803 UYVRBWGOVKCQGV-DGGJZMOXSA-N 436.508 2.429 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CNc2ncccc2C#N)c1 1634792516 YJJDJSJVSKZKQL-OALUTQOASA-N 427.530 2.013 30 10 IEEE CS(=O)(=O)CC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1637421167 BRQCABPCIZOLGB-UHFFFAOYSA-N 440.363 2.040 30 10 IEEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 1647787243 BWHDNPPOIOBYJZ-LPHOPBHVSA-N 444.532 2.457 30 10 IEEE N#C[C@]12CN(C(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1648155992 UIJISXORODEIEK-XKCSPQBFSA-N 440.521 2.086 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1ccc(F)c2ccccc12 1650681429 MPDVGRDUXUMRCJ-UHFFFAOYSA-N 439.468 2.407 30 10 IEEE COCCN(C(=O)CSc1c(C)cccc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1652175547 YZOHIMMHFABPTM-UHFFFAOYSA-N 445.545 2.139 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)cc1 1665969173 KQQDVBSEPXKVNI-IBGZPJMESA-N 430.486 2.362 30 10 IEEE N#C[C@@]12CN(C(=O)NCCc3cc(Cl)ccc3Br)C[C@H]1CS(=O)(=O)C2 1670753704 WSOJCXNWZUSZNX-LRDDRELGSA-N 446.754 2.225 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](C3CCOCC3)C3(CO)CCC3)C2=O)cc1 1671577561 WIMBQXKBBKVCTB-NHCUHLMSSA-N 440.544 2.311 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3ccc(COc4cccc(F)c4)cc3)C[C@H]1CS(=O)(=O)C2 1683420840 XPTJIGFULOEIGC-AVRDEDQJSA-N 443.500 2.484 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 1684363816 PZHIEXWEVYXBOZ-RPWUZVMVSA-N 433.556 2.457 30 10 IEEE C=C1CCC(CNC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 1685166632 SPBLDEDMXQHVDX-FQEVSTJZSA-N 428.581 2.298 30 10 IEEE CC(C)n1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(O)nc1=O 1685759977 YWRRWRPRQJEWHK-UHFFFAOYSA-N 429.452 2.294 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](COC)C1 1689916438 KBUATFXORBEMAO-GOSISDBHSA-N 445.589 2.472 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1N1CCOCC1 1689944654 XJOJAHDREYIPOK-UHFFFAOYSA-N 438.576 2.459 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1690081326 FULCYYQFARFFSA-UHFFFAOYSA-N 437.573 2.373 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CC=CCO2)n1 1690109356 OXMMQLFHYDQYOK-FQEVSTJZSA-N 433.516 2.168 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690243133 HLQBYVRIRMAKTJ-OTWHNJEPSA-N 431.562 2.335 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(=O)OC)C1 1690306237 QCLIRRWJENMNKZ-QGZVFWFLSA-N 428.489 2.308 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)CC1 1690674304 WFPIKZBDCJCURJ-UHFFFAOYSA-N 435.507 2.032 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1690679004 IMSUBPIRLXHWPX-GOSISDBHSA-N 435.532 2.254 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2(C)C)C1 1690686986 WQSOORZYPKFIMS-OWCLPIDISA-N 443.639 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccccc1C 1690723226 LJIPCVOTDKIQGQ-WMZOPIPTSA-N 431.562 2.336 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1690742034 DXWWECDXEPMFTP-HOTGVXAUSA-N 429.546 2.425 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccnc(OCC(F)(F)F)c1 1690993238 HBOKAGANVPZXGA-ZDUSSCGKSA-N 439.442 2.397 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN(C)CC(F)(F)F)CCOC1 1690995682 LWFPKYGYCVWTER-CRAIPNDOSA-N 432.491 2.409 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1693350265 CLDUPTDZVFZVLK-NIVDNSEKSA-N 427.534 2.006 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCC(F)F 1694125193 DMWSOSJMSSDXLU-CABCVRRESA-N 434.495 2.450 30 10 IEEE CC[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694902411 FACZAWWSHJCLEG-CVTQAYBASA-N 441.561 2.397 30 10 IEEE CCOCc1nnc(N2CCc3cc(F)ccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696303231 IMBWKNAHLRQHAL-MRCUWXFGSA-N 440.479 2.043 30 10 IEEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)ccc1Cl 1697269503 NUNSXCFJWBRUIG-STQMWFEESA-N 440.957 2.194 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1705529886 KZTJVZFZDYNOPS-UHFFFAOYSA-N 426.521 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)CN(C)C 1705601556 MUDGDMBLLFFLKX-UHFFFAOYSA-N 426.590 2.320 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc(C(C)(C)C)cs1 1705628068 WYYCVIAUSLCAKF-HNNXBMFYSA-N 430.578 2.312 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705685826 JXCSVUUQMLJKPD-HZSPNIEDSA-N 435.388 2.339 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCOCC2)C1 1705924774 ZAUWJZAKESGYAM-LJQANCHMSA-N 428.533 2.200 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccs2)CCO1 1706047345 ABUJZZVQTUIFSO-LJQANCHMSA-N 436.541 2.462 30 10 IEEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nnn(C)n2)cc1Br 1707341768 LDKCVUVOYYBBCN-LBPRGKRZSA-N 430.314 2.326 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOCC1 1708477795 LQRCSMUXLYJZLK-INIZCTEOSA-N 425.537 2.049 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722290980 HQRQKSINBGUNBE-BBWFWOEESA-N 430.553 2.334 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1722338700 RWJLESKSGSSNPG-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722365884 OCPYUDCNRZTZAM-YLJYHZDGSA-N 430.574 2.087 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1722367483 WJTWTTMUSOTMNR-MJGOQNOKSA-N 446.548 2.061 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722456225 UZDQXGHOQQXADE-KRWDZBQOSA-N 445.556 2.083 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722465888 VXFGPVQIFMMHLG-KRWDZBQOSA-N 438.557 2.152 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1722679929 QAJNBXGIKRGFFM-INIZCTEOSA-N 447.923 2.341 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1722720159 HLNVAYADQMKBOB-JLGINSKQSA-N 442.560 2.393 30 10 IEEE Cc1ccsc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1724148318 IBCXBGNBOPYVTB-CQSZACIVSA-N 428.543 2.417 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1cccn1 1740550411 PULVCUQKLIBAGP-QGZVFWFLSA-N 430.516 2.420 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC=CO2)c1 1740565040 HLFGOHZOVQHPSB-HXUWFJFHSA-N 448.527 2.149 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740595475 FHZMWOXZFDDTTF-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN(c1nnc(C)n1CC1(c2ccccc2C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740617003 KDHHAPNCGCYORF-HXUWFJFHSA-N 442.585 2.270 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1740638428 IYSIGVVTARGRBN-UHFFFAOYSA-N 447.499 2.191 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN(C)CC(F)(F)F 1740647474 USXRZCUWJMBQSE-FQEVSTJZSA-N 441.498 2.276 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)on1 1740677735 ZXTMDTIBRXKZCG-KRWDZBQOSA-N 443.504 2.304 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)c1ccccc1 1740796790 FLPIVNNSWQEQQH-UTKZUKDTSA-N 431.562 2.219 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)NC)CC1 1740836844 NXVSXKGDWSWRSN-UHFFFAOYSA-N 426.546 2.445 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC12CCOCC2 1740937017 QOPNJEXLSYWFEG-KRWDZBQOSA-N 426.521 2.381 30 10 IEEE C=CCNC(=O)Cn1c(N2CCOC3(CCCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1740965748 SEKCTOAOTQKDKZ-QHCPKHFHSA-N 447.580 2.162 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740994094 MKYIHWHCFFRVTH-WIYYLYMNSA-N 440.610 2.402 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1741130803 OBUJDAOPHVGUPD-KSZLIROESA-N 448.568 2.404 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccco1)N(C)C 1741132507 ZHNGVTURYVPLRU-ZBFHGGJFSA-N 425.493 2.498 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1NC(=O)CC1(C)C 1741684857 CXOYHQGXBVQAEB-CEXWTWQISA-N 449.559 2.075 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)Br)cs1 1742592111 MRUHDVCVKWEFMD-LLVKDONJSA-N 433.282 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN(C)C 1748650011 WNQWTWMJPFBVSR-QGZVFWFLSA-N 446.621 2.241 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748802621 QKDPDFJOGLMLJW-IBGZPJMESA-N 435.638 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1748886568 HMKFKVYGRPQLCU-LJQANCHMSA-N 444.539 2.384 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749258153 NWUGHXUTWNABIJ-UHFFFAOYSA-N 431.349 2.218 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1749348808 YZGRPDQLMOEPBS-UHFFFAOYSA-N 446.515 2.284 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1749663697 NLENOHXZLNRCPS-UHFFFAOYSA-N 435.532 2.301 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749699182 IEHGFHOLMDXKKM-SIKLNZKXSA-N 437.592 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1760099319 DWPLIZMXORNBMG-SBUREZEXSA-N 425.533 2.185 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCc1ccco1 1760101531 RMFAPAZHFGESLT-CYBMUJFWSA-N 445.321 2.413 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760182979 LCXTYGCNFCGIHO-QAPCUYQASA-N 429.571 2.195 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1760207926 CDJRTOLPXNAMEO-PWRODBHTSA-N 427.593 2.238 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760279265 WWVJVEWQTGCRHR-UHFFFAOYSA-N 436.589 2.383 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1760527180 OFPLKCJGEMCTQD-FQEVSTJZSA-N 449.559 2.444 30 10 IEEE CC1(C)C[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1761551354 BGBHACAJQVJLRK-KRWDZBQOSA-N 428.562 2.381 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1764171832 VJJLLNPJFOMROX-LJQANCHMSA-N 447.547 2.126 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1764553167 HDZQGDABSPFGLF-PMACEKPBSA-N 441.532 2.344 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@H]1C 1765373767 RQXNCHFIWWPXPM-RTBURBONSA-N 425.581 2.314 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1765470392 AGAYSCNHKCGZLP-LPHOPBHVSA-N 426.521 2.235 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1768750954 UXBXKFMTEHKUSD-UHFFFAOYSA-N 435.525 2.062 30 10 IEEE CCc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N=c4ccc(C#N)c[nH]4)CC3)CC2=O)cc1 1850724099 MGGLOVKVGYPLCO-FQEVSTJZSA-N 445.523 2.168 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1852542200 FEYVCFWIAYRHRS-HNNXBMFYSA-N 432.468 2.292 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CCS1(=O)=O 1852606264 BIJXQRARMREVEL-GFCCVEGCSA-N 426.420 2.412 30 10 IEEE CCOc1ccccc1N1CCN(C(=O)CCON=C(N)c2ccc(OC)cc2)CC1 1853586127 MYWFSMXNJYCZDD-UHFFFAOYSA-N 426.517 2.470 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)F)cc2)C2(CCCCC2)C1=O 1853857365 GCUNQWVZKOXDKF-UHFFFAOYSA-N 441.456 2.264 30 10 IEEE C[C@H]1C(=O)N(C(=O)C[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854651220 SNMCEWWSLUJOBP-ZFWWWQNUSA-N 425.457 2.132 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)Cc3ccc(Cl)s3)C2)CC1 1855916388 UCAPHOOIEVERLJ-OAHLLOKOSA-N 443.960 2.408 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(CC)c2)cc1 1858643448 CTJMOFDARUQBBW-UHFFFAOYSA-N 431.514 2.118 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759404 QVVAYBXOMYNHKH-QGHHPUGFSA-N 443.368 2.168 30 10 IEEE COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1870104875 NTHKEFXZWCBTJR-UHFFFAOYSA-N 436.384 2.234 30 10 IEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(N3CCOCC3)ncnc21 1873561283 JAVHHQUIJFCVSS-UHFFFAOYSA-N 446.555 2.412 30 10 IEEE CCOc1ccccc1OCC(=O)NC1=C(c2nc(C)cs2)C(=O)CN1CCOC 1873710471 GGAIUXMLXIKGDS-UHFFFAOYSA-N 431.514 2.245 30 10 IEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(O)cc1O 1874261238 BAKTWSKDHNJFHK-QPJQQBGISA-N 435.412 2.006 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCCN2CCC(C#N)CC2)[C@@H]1c1ccc(C#N)cc1 1889775668 ZLHRFRYVPNGFSM-VXKWHMMOSA-N 439.585 2.304 30 10 IEEE C=CCN(CC(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1985008036 FGHSUTBFYZIZRP-UHFFFAOYSA-N 427.542 2.288 30 10 IEEE C#CC[C@@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(=O)O 2010078258 UEAPBBCUJAOLSS-JPYJTQIMSA-N 430.501 2.423 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2010151309 PDWBHPOVQKQRCS-IXDOHACOSA-N 439.553 2.027 30 10 IEEE CCOC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2010544673 VIDIIQQJCMNDGR-IBGZPJMESA-N 428.533 2.249 30 10 IEEE C[C@@H]1COC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N1C(=O)OC(C)(C)C 2010544684 VLBYQMJYWNPMFH-RLLQIKCJSA-N 428.533 2.247 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2015901585 RTLQLWDWXYXBJS-BTYIYWSLSA-N 440.541 2.062 30 10 IEEE C#CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)C1CCN(C(=O)OC(C)(C)C)CC1 2022860419 QORLAYBDZCKMPS-RDJZCZTQSA-N 439.553 2.122 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C[C@@H](O)C1 2060641575 KXADGJVMPKKEBH-FZKCQIBNSA-N 436.358 2.155 30 10 IEEE CN(C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124533969 QSLNHZVYZRDORZ-ZWKOTPCHSA-N 446.353 2.319 30 10 IEEE CC1(C)OB(c2cnc(N3CCS(=O)(=O)C(C)(C)C3)c(Br)c2)OC1(C)C 2172778049 KPIKQBOETWTIFT-UHFFFAOYSA-N 445.188 2.157 30 10 IEEE CC1(C)OB(c2cnc(N3CCC[C@@H]3CS(C)(=O)=O)c(Br)c2)OC1(C)C 2172786167 YKLYAZDIJOEHNV-CYBMUJFWSA-N 445.188 2.157 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2174787699 XATIMYIRFGFEGE-ZWKOTPCHSA-N 433.461 2.060 30 10 IEEE C=C(C)CN(CC)C(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195284910 GKFBDHUUKQBAHF-PBYQXAPXSA-N 438.546 2.318 30 10 IEEE Cn1nc(C(=O)N(CC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2248592441 BMLDHTQIONOYKC-UHFFFAOYSA-N 433.701 2.100 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255619056 MIJJPPKAUYYNGE-ZFWWWQNUSA-N 434.346 2.227 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255633219 XRZHZIFEIZXHPF-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255808494 KHFBEJNNQVSEFZ-GASCZTMLSA-N 431.342 2.414 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2255812627 OFKHOEWVVAJIAP-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255947707 PQYKRGFCQQGMDB-BBRMVZONSA-N 432.326 2.334 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2267092266 VDDYLEPUAGXHFK-CABCVRRESA-N 448.373 2.426 30 10 IEEE C[C@H]1C[C@@H](N(C)C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1Cc1ccccc1 2267138621 WKOJVLQHWJCNNK-PKOBYXMFSA-N 438.381 2.454 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267139418 GDPATEAUPRXOQL-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2267140339 BOWNMCMMNYMIMK-FRFSOERESA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267146111 KZAWQHNIEKOAHM-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 2267179500 QWEBNXSJYIMYER-LJQANCHMSA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)NC1(CCCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267265584 HYHDRAOIZSYLJM-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267280010 MLIUZLDHYZPHIV-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(NC(=O)OC(C)(C)C)CCC1 2267494945 IAYRRHCVMNVSNY-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267510330 KARGPJANKPGBPV-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@@H](C)CN1Cc1ccccc1 2267540539 XVNWHDVMTGYOCG-ROUUACIJSA-N 438.381 2.454 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267549623 NYBFTGZFOCIVME-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267607614 AHEHRTXNRLTNKY-HNNXBMFYSA-N 446.357 2.151 30 10 IEEE C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267608809 JMKAYHDNZFJNJX-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268651707 CBYLIUFKHRJVIE-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268706972 OYDRWOJGSIUZEI-SFHVURJKSA-N 448.369 2.220 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)CC1(C)OCCO1 2282869046 WLKFPMYZSXECMC-CYBMUJFWSA-N 445.412 2.423 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2283056912 QZMLZTIDMQMACS-OALUTQOASA-N 448.376 2.416 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n1C 2315631618 UPOHKULBTRBXCI-QWHCGFSZSA-N 436.362 2.059 30 10 IEEE CCCOc1ccc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC 2325716964 PETWMQKGFOUUNI-UHFFFAOYSA-N 432.498 2.030 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@]1(C)CNC(=O)OC(C)(C)C 2337187134 BCWGEURVBQHXIF-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337193135 BPYJKAATBJPKIC-SFHVURJKSA-N 438.381 2.456 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C 2337394236 JRNMGABUUNNVQB-CQSZACIVSA-N 448.373 2.109 30 10 IEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C3CCCC3)n2)cc1 21084601 ZERSTNSLHSZJAL-UHFFFAOYSA-N 437.551 2.176 30 10 IEEE CC1(C)O[C@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 254854614 POPFMWWJOGLOIF-GHMUIRBKSA-N 436.520 2.499 30 10 IEEE C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncc(Br)cn1 431914898 WOIILWPHSPTVGU-WBMJQRKESA-N 443.305 2.272 30 10 IEEE CN1CCc2ccc(S(=O)(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc21 440374153 AEQAFFHVJFBQFR-UHFFFAOYSA-N 439.497 2.309 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cc3c(cn2)CCCC3)CC1 464060235 BAEMBIODCHBPQI-UHFFFAOYSA-N 425.514 2.370 30 10 IEEE CSC[C@](C)(C#N)NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 464573911 ALXZIXNMOKLJEU-KCYSQLMOSA-N 435.549 2.227 30 10 IEEE Cc1cnn(-c2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2F)c1 467135752 DJRVQUCIJCIPPJ-UHFFFAOYSA-N 426.477 2.097 30 10 IEEE CO[C@@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 469970801 DEVPAGVPSKOGAB-INIZCTEOSA-N 433.452 2.043 30 10 IEEE C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 471009754 DUMYPSNBTVAMLL-IUODEOHRSA-N 431.846 2.299 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCCO3)c2=O)o1 471189103 SZSURYBQUNHJJS-LJQANCHMSA-N 449.532 2.386 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC(C)(C#N)CC3)cc2)C[C@H](C)O1 506042465 UDDQESIJKBEWQP-IRXDYDNUSA-N 434.562 2.049 30 10 IEEE C[C@@](C#N)(NC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(F)c1)C1CC1 507396381 CGWNGMNZDKMZIR-GOTSBHOMSA-N 425.508 2.245 30 10 IEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2CCOC[C@@H]2C1 508847482 VIDDXLGZQNSGTQ-HNNXBMFYSA-N 434.338 2.423 30 10 IEEE C=CCCOCCNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 534548238 RAFQTJOSLWQPNS-UHFFFAOYSA-N 435.468 2.314 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccc(F)cc1 570285886 HKZACCYOFWTZNB-UHFFFAOYSA-N 447.535 2.417 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(=O)(=O)CC)CC1 579737406 KIJCZAWTOUQAKM-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCO)Cc1ccc(C#N)cc1 586149870 HCQSUSOUUHTKEL-UHFFFAOYSA-N 443.525 2.267 30 10 IEEE COC(=O)c1sc(NC(=O)C[S@](=O)Cc2ccccc2C#N)c(C(=O)OC)c1C 586294473 CTKMHCLRXJYMKR-GDLZYMKVSA-N 434.495 2.389 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)NC3CCCCC3)cc21 586313368 JQCUQOFSDOGXMC-FOGNVHKLSA-N 432.542 2.367 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 608881502 WZYOMLHUAFMKEB-UHFFFAOYSA-N 436.438 2.210 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c(Cl)c1 614904542 RTXZJHWTSFQSEY-INIZCTEOSA-N 446.956 2.479 30 10 IEEE C=CCOCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 679495050 GLYNSXFTZOGRDK-AWEZNQCLSA-N 431.352 2.169 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)c1 729250728 IOOULCXRCLQUFB-KRWDZBQOSA-N 429.517 2.256 30 10 IEEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@H]1CCCO1 730138141 JISLFKZBQHMYEV-PKOBYXMFSA-N 432.590 2.427 30 10 IEEE COc1ccc([C@@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 732441087 FDTAVJCSHPQFTN-RRGFCBMYSA-N 437.294 2.344 30 10 IEEE Cn1c([C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc2)nc2ccccc21 732457440 HEKPFIFSDIDCQO-DDYOIZNJSA-N 444.495 2.488 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CCN1C1CC1 732664786 UUTBMCWTKMCEJW-ZDUSSCGKSA-N 443.356 2.246 30 10 IEEE CN(C(=O)c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CCCCC1 732707062 UBPGXFHHDXPSDI-IBGZPJMESA-N 437.544 2.229 30 10 IEEE COc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1C#N 746679969 FLNIGDICHXOLEZ-UHFFFAOYSA-N 427.404 2.337 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 749363171 FAWHQWLXDGSSBM-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE N#CCN(C(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1)c1ccccc1 750426098 ORKPDIPBWHWZSQ-UHFFFAOYSA-N 441.245 2.138 30 10 IEEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cnc(-c3ccccn3)s2)cc1 753141070 GATPQUPIKHUMTP-TWGQIWQCSA-N 429.479 2.464 30 10 IEEE C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)O 757293273 FFFOFGUWTIGVSF-NHCUHLMSSA-N 438.480 2.422 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OCC)c2)c1=O 758079098 XIWQHOLOJNEARE-UHFFFAOYSA-N 444.512 2.336 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c1 772278152 LWCCAZFJAVCGDJ-INIZCTEOSA-N 430.327 2.186 30 10 IEEE C#CCN(C(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1)[C@H]1CCS(=O)(=O)C1 774168302 VIVAOUYNUPLHHV-KRWDZBQOSA-N 429.498 2.214 30 10 IEEE C#CCN(C(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H]1CCS(=O)(=O)C1 774219792 OGINSZUTSNOYNU-MRXNPFEDSA-N 425.348 2.313 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1C#N 785583797 LQFNDTAYHMHTTO-UHFFFAOYSA-N 431.496 2.361 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)Nc2sccc2C#N)CCCC1 786294865 RXVMMHHFUDWLTC-UHFFFAOYSA-N 429.502 2.195 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786682777 IVWDSRRHVWEOBP-QGZVFWFLSA-N 437.587 2.312 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCSC2)c1 790284412 DGPMQJQABDTNLV-MJGOQNOKSA-N 444.626 2.420 30 10 IEEE Cn1nncc1-c1csc(=Nc2ccccn2)n1N=Cc1c(Br)cnn1C 794849798 OGMPUZHPLGEZSC-UHFFFAOYSA-N 444.322 2.351 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796426225 WQFPRXLRUOXVGA-CZMAPVLFSA-N 431.537 2.094 30 10 IEEE COC(=O)c1ccc(NN=C(C)c2ccc(Br)c(S(N)(=O)=O)c2)nc1 797401504 KJPLMMJWDMWRNI-UHFFFAOYSA-N 427.280 2.114 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@](C)(O)CO)c1 801976698 GHYCPXCWLMVRAZ-HXUWFJFHSA-N 438.933 2.194 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)Oc1ccc(Br)cc1 803765878 NFQQOBSUBPLJGG-SJORKVTESA-N 433.258 2.091 30 10 IEEE C#C[C@@H](N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1)C(C)(C)C 807941168 MGLPFBWZKWFGFG-IAGOWNOFSA-N 445.589 2.138 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)c1ccc(F)cc1 812526945 FYBINOPWHAWLPK-MRXNPFEDSA-N 426.491 2.249 30 10 IEEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)c2cscc2C#N)CC1 814613291 JEEQLTUGZXUCJL-UHFFFAOYSA-N 440.525 2.176 30 10 IEEE N#Cc1ccc(NCCNC(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc1 916520140 BXEWNQMGJHJBRI-UHFFFAOYSA-N 436.560 2.435 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 917095797 PNHPLYKDEDWWRH-FQEVSTJZSA-N 443.525 2.246 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2cccc(CC#N)n2)C1=O 1133015290 ZIAVWEXLYNKATR-LJQANCHMSA-N 442.273 2.316 30 10 IEEE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCO[C@@](C)(C#N)C1 1134490725 YBBKFVVQYVEQHO-QFIPXVFZSA-N 441.509 2.201 30 10 IEEE C#CCN(CC(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 1137052137 PIUVJVGOBCJGNY-IBGZPJMESA-N 427.423 2.392 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2=O)cc1Cl 1142371240 OYCWEBZQAYOPDE-HOTGVXAUSA-N 442.878 2.164 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1=O 1143727110 NPTKVAZBJGPGQM-UHFFFAOYSA-N 436.512 2.414 30 10 IEEE C#CCN(C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C1CCN(C)CC1 1156646086 CWMFYWOSAIYNLS-UHFFFAOYSA-N 436.537 2.417 30 10 IEEE Cc1cc2c(NC(=O)c3sccc3S(=O)(=O)N3CCC(O)CC3)n[nH]c2cc1C#N 1164586988 HSBDECATTZWABP-UHFFFAOYSA-N 445.526 2.202 30 10 IEEE CCN(CC)C(=O)CN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 1191951908 GKKYGLCWANPGOS-UHFFFAOYSA-N 446.495 2.188 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1)C1CCOCC1 1231332920 VBGVLWPPEXLVSD-OALUTQOASA-N 446.552 2.078 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 1254607707 ZMJWKWPZWBWGBE-OAHLLOKOSA-N 449.305 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1286301932 AIFVPJCJLOAOQJ-KRWDZBQOSA-N 430.574 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(CC)CC 1286401880 RXIPBXCBSGZPCJ-GOSISDBHSA-N 427.574 2.152 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(OC)c(F)c2)CC1 1286482167 MWZRKKMOOMMUGB-UHFFFAOYSA-N 434.519 2.410 30 10 IEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286775103 ADMSCMOTJJLABM-FQEVSTJZSA-N 438.532 2.025 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3ccccc32)C1 1286800013 DLYKAHKVEHUBBI-BHIYHBOVSA-N 445.589 2.400 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCc2ccccc2)C1 1288981723 IFHGIMBDSMDOCO-DEOSSOPVSA-N 449.559 2.237 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)CC1 1288982997 HSMXDJJDIQLMAF-SFHVURJKSA-N 430.553 2.230 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1292777031 CNFKRQVUHIRNTC-IBGZPJMESA-N 448.531 2.090 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1292987774 UJJYSJAPCVRUBH-UHFFFAOYSA-N 433.350 2.020 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2O)CC1 1294722425 KDELHJREGQMRGP-UHFFFAOYSA-N 441.797 2.448 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4nnc(O)o4)C3)C2)C1 1296864866 REBQRTAOXZMOCY-XVRRPWEDSA-N 431.493 2.268 30 10 IEEE C#CC[C@H]1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1299853870 ZBVFHEBHRNJXIE-LAUBAEHRSA-N 434.558 2.413 30 10 IEEE COc1ccc(OCCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1300304241 GODSJFXPTWOHHU-QGZVFWFLSA-N 448.531 2.441 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300487048 DZDGRMVNDKAMDZ-HRAATJIYSA-N 434.537 2.262 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C2CC2)CC1 1300513243 WOVVWCXUKPPOPB-XMMPIXPASA-N 425.577 2.266 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1300603675 WMHRDWOJRWTLRS-HSZRJFAPSA-N 425.533 2.048 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)CCCC)CC1 1300688160 BRRDQDBFCZQJMS-UHFFFAOYSA-N 425.537 2.340 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1300705954 FLSFINPPDCDXSA-GOSISDBHSA-N 434.535 2.371 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2CCN(Cc3ccccc3)CC2)CC1 1300715706 BZQZQJNKXKELSJ-UHFFFAOYSA-N 434.588 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)CC1 1300719324 WQKKZTUAYHHLBD-UHFFFAOYSA-N 439.523 2.420 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC)C1CC1 1301327009 KSGMKXPEENKYTD-MRXNPFEDSA-N 432.546 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301483289 NGIGGKXBETWCFJ-UXHICEINSA-N 441.532 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301578239 UIEFFZWBZNCUBW-SVMVAKDDSA-N 446.573 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(C2CCCC2)CC1 1301579406 QYHPBCOXNVNTOC-UHFFFAOYSA-N 446.621 2.339 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nc2ccccc2[nH]1 1302098818 QUTREEAVSBECHG-SJORKVTESA-N 439.520 2.240 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1303500005 BTLUXGPXWYELHD-GMAHTHKFSA-N 444.580 2.494 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCCCO 1303932407 SOMPBBIXKAWULQ-JKSUJKDBSA-N 435.525 2.402 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1304559791 AXSKGGZTNUZQDU-CTNGQTDRSA-N 425.533 2.349 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1305238025 HXKPKKZTHVWTCK-DOTOQJQBSA-N 447.586 2.105 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1306499042 NOMASVUNNBNKBC-HXUWFJFHSA-N 437.548 2.228 30 10 IEEE C#CCN(C(=O)NCCOCC(=O)OC)[C@@H]1CCOc2ccc(Br)cc21 1313116225 HPIZSDARAYJEBX-OAHLLOKOSA-N 425.279 2.107 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1315814430 GZJYNLMWLAMGMT-IBGZPJMESA-N 428.512 2.496 30 10 IEEE C=CCO[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 1321841035 IVGRGAJFHVUKFO-KRWDZBQOSA-N 428.576 2.217 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCNC(=O)[C@H]3c3cccs3)CC2=O)cc1Cl 1354777334 COIFPMUMAORQQB-SCLBCKFNSA-N 428.901 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1358998923 XLMSDQMXXMTYBW-IBGZPJMESA-N 445.564 2.212 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCO[C@@H]2CCOC2)CC1 1359039118 XMQKYIXSEBPWBU-JOCHJYFZSA-N 439.560 2.116 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1359067737 ZOXSSGQCKFLLLO-DHIUTWEWSA-N 425.533 2.021 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1359070598 PXYDLDGXJVDASH-CDHQVMDDSA-N 434.587 2.142 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1359098074 XBRGTUCNJBZVNS-CDXJDZJCSA-N 444.580 2.096 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2C[C@H]1CO2)C(C)C 1359265246 BUDHHHRCJOLIQA-LWYYNNOASA-N 428.581 2.295 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(C(=O)NC)CC2)cc1 1359307242 FERGAEPWUZQHNX-IBGZPJMESA-N 425.533 2.358 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc3c(c2)OCO3)C1 1359312305 RMXSYKBNNTVSPB-QGZVFWFLSA-N 443.504 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccco2)C1 1359333781 JODYXCIRIHLQHQ-QGZVFWFLSA-N 427.530 2.452 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccncc1Cl 1360676698 VBSATNZKVRKFDU-ZDUSSCGKSA-N 437.957 2.115 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c1 1442162466 GLXGDSXQVGBAMQ-UHFFFAOYSA-N 428.510 2.292 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 1447478535 CILQANIGLZJPDN-DCGLDWPTSA-N 434.443 2.193 30 10 IEEE C#CCN(CC(=O)N1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)C(=O)OC(C)(C)C 1455623787 RXVJOKIBZZPGFB-QFIPXVFZSA-N 437.537 2.095 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N=S2(=O)CCCC2)cc1 1461008472 HQQXDIYHYOTAMB-UHFFFAOYSA-N 432.527 2.257 30 10 IEEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)C[C@H]2COc3ccccc3O2)CC1 1463551515 GSDGCTVQOVAFIM-DAWZGUTISA-N 429.498 2.403 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)NCCCOC)CC3)n[nH]2)c1C 1465232943 UUYQKVOXHVVUEY-UHFFFAOYSA-N 428.537 2.081 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1469984278 UMJRJGCOVVRGPF-KRWDZBQOSA-N 443.041 2.260 30 10 IEEE C=CCCC[C@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1471894811 FRQGLZCPYCEWFQ-INIZCTEOSA-N 435.525 2.478 30 10 IEEE CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1473885252 HZJBIDBOASIYGJ-HXUWFJFHSA-N 435.613 2.400 30 10 IEEE Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)c(Cl)c1 1475009484 BTWKGCDWAJYBGW-OAHLLOKOSA-N 448.932 2.216 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)N1CCC[C@@H](C)C1 1493694133 AKMMEXULJBEVLR-MSOLQXFVSA-N 442.589 2.172 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1494642445 GDLMRUBMXDKOKP-KZULUSFZSA-N 435.326 2.316 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(C)(C)O 1505001522 CIIUZXSSQBKBSD-VQIMIIECSA-N 429.521 2.223 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(Nc4cccnn4)CC3)n2CCOCCCO)cc1 1505315717 QXRHQLBNIXNEAB-UHFFFAOYSA-N 448.531 2.087 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1507533487 MWOUVJCWQCVAAJ-HNNXBMFYSA-N 444.586 2.455 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N(C)C 1507701153 ZRVODYHILDAZRZ-HSZRJFAPSA-N 443.523 2.187 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 1507751364 NCZBGGLWYAMSNC-HNNXBMFYSA-N 440.541 2.461 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1507752743 DUUSKZGKJQJCEQ-JOCHJYFZSA-N 444.605 2.280 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1507985371 AJBMZWVWKYQIRO-UHFFFAOYSA-N 432.550 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1508085555 HBVCESRXPFDPRR-FQEVSTJZSA-N 432.528 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC)C1 1508133444 JIWVLONZXYDGGF-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1508139056 CTZRDPSUNUORCD-LSDHHAIUSA-N 442.545 2.429 30 10 IEEE C=CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1508168967 VINDBLJYMOGJKB-KGVIQGDOSA-N 449.621 2.200 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CCOCC2)cs1 1511544642 BDADJZHJJUHYLO-IBGZPJMESA-N 446.577 2.196 30 10 IEEE CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCN(C)CC(F)(F)F 1513931117 NUMJWYJPJDNJOU-UHFFFAOYSA-N 434.404 2.357 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1521114491 FDSOAUHIJLCGIL-OALUTQOASA-N 440.523 2.395 30 10 IEEE C=CCOCCCC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1538818651 SGHZHUMIXKIZPA-MRXNPFEDSA-N 428.270 2.274 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccoc2)c1 1539038112 LPVMDHAGIODHDF-UHFFFAOYSA-N 432.484 2.212 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1539101876 LKNKDNRKAWFXLS-HTAPYJJXSA-N 444.557 2.146 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)OCCc2sccc21 1539391241 AAFUTXXEZAOJPU-JOCHJYFZSA-N 443.573 2.150 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2CCN(C(=O)OC)CC2)CC1 1539470035 XMDKVGUYEPCGPL-KRWDZBQOSA-N 444.580 2.236 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1)C1CC1 1540108148 HABWBVPZRKHCEU-GOSISDBHSA-N 443.573 2.085 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1540193605 AAUOKZPOECELAO-INIZCTEOSA-N 448.545 2.137 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1 1540998792 WWIZOPLCZUILAO-HXUWFJFHSA-N 438.532 2.212 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541150621 OWWALBIDZQSDQV-NHKNDPDJSA-N 441.580 2.167 30 10 IEEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1544879829 SOIXSCZGMIUNNP-SAZZCXPWSA-N 444.536 2.050 30 10 IEEE CCOCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1548241823 UVSDDQZLXHCCCV-UHOSZYNNSA-N 446.577 2.058 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)CC1=O 1555584500 HSCPFGSPWRQPDF-UHFFFAOYSA-N 428.562 2.253 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3nnc(O)n3CC)CC2)cc1 1562197418 LINYBJKLXNQBIK-UHFFFAOYSA-N 448.549 2.222 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCc2nc(C#N)cs2)CC1 1564795734 PCRPOFCJWWCETB-AWEZNQCLSA-N 447.586 2.443 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)CC)CC1)c1ccc(Br)cc1 1564998882 DUJJWWLGAAIQKJ-MRXNPFEDSA-N 428.352 2.237 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1565331393 GBFRUYMZHGNRIE-OAQYLSRUSA-N 440.569 2.442 30 10 IEEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 1565975929 PKSPEEAOAOBOOQ-MSOLQXFVSA-N 426.579 2.451 30 10 IEEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CCCC(=O)Nc2ccccc2C#N)cc1 1566114772 DYYLFXJGLQCYEB-UHFFFAOYSA-N 442.541 2.412 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1584114818 BZPJERQSGMXTQM-OAHLLOKOSA-N 438.424 2.091 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1587213649 VFDYTGNCWMJVAC-UHFFFAOYSA-N 429.480 2.377 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588054241 MKLVAZGATJOZOE-MSOLQXFVSA-N 436.578 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCC(F)(F)CC1 1588180811 LCOLLUIEEUWODW-OAHLLOKOSA-N 427.521 2.177 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCN(C(C)=O)CC1 1588446117 YSJPTRCYADSOGB-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2c(CC)nn(C)c2OC)CC1 1588884668 JIDKDZRNXLRCAJ-INIZCTEOSA-N 441.580 2.110 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1 1595429840 JPSMKCOMCSLPDZ-IBGZPJMESA-N 428.533 2.243 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1597053354 JTLBVOHMRCJJMQ-KRWDZBQOSA-N 428.510 2.303 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1597131881 OBUIGBKUJPGGIE-NRFANRHFSA-N 427.578 2.037 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1611308675 RUPJNHBDLHVDLC-YJBOKZPZSA-N 445.545 2.012 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(Cl)nc1 1611696278 FFMAJFNQEAGALK-ACJLOTCBSA-N 437.957 2.115 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1617868700 HAHWGAHWRGJVKI-ZOKDDAQRSA-N 426.546 2.038 30 10 IEEE CO[C@@H](CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1618958961 NBDFYFWQSNSWGG-IRXDYDNUSA-N 435.454 2.484 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C[C@@H]21 1620135237 WWSPATYIHRKGIS-CEXWTWQISA-N 429.546 2.113 30 10 IEEE N#Cc1c(CCCNC(=O)c2cccc3c2NC(=O)CO3)nn(-c2ccc(F)cc2)c1N 1625433665 SVJHYZZIMICGKD-UHFFFAOYSA-N 434.431 2.159 30 10 IEEE C[C@@H](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)NS(=O)(=O)c1cccnc1Cl 1625436374 JNZZKEYXGZZYMP-VBKZILBWSA-N 432.933 2.359 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)c1cc[nH]n1 1625666594 GHWAUZLVLHIZOV-MSOLQXFVSA-N 428.489 2.194 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccc(OC)cc1)c1ccco1)c1cc[nH]n1 1630059638 JEQUXZNQBHWOQT-IBGZPJMESA-N 426.429 2.201 30 10 IEEE C=CCC1(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CCOCC1 1630603600 CKVPCIDYQDZSDX-UHFFFAOYSA-N 440.588 2.441 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cs1)C(N)=O 1631335847 MRPCDQWLNMNSNS-DYVFJYSZSA-N 429.571 2.260 30 10 IEEE C=C(Cl)C[C@H](NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC 1632067113 JWQHCSQYYMCVFR-ORAYPTAESA-N 429.901 2.333 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 1632228769 SOSYOLPHDYPTGU-UHFFFAOYSA-N 446.891 2.240 30 10 IEEE C#CCN(C(=O)NC1CCN([C@H]2CCC[C@@H]2O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1633151858 WAXJBOZIUYGMFZ-SFTDATJTSA-N 448.608 2.409 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)cc1 1638322493 DARLATDERGBMMQ-FQEVSTJZSA-N 435.571 2.468 30 10 IEEE N#Cc1cnn(C(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)c1N 1641560813 TTXVXTLPIBJTKK-UHFFFAOYSA-N 426.156 2.387 30 10 IEEE C=CCOc1ccc(C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1OC 1642636396 UMKGLCMHZBRNOU-UHFFFAOYSA-N 445.516 2.212 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C2CC2)C1 1643962278 HGEBSKBYQDRANZ-UHFFFAOYSA-N 437.493 2.347 30 10 IEEE Cc1cc(F)c(C#N)cc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1644078606 OYQZOOKFPNWFNA-CQSZACIVSA-N 425.482 2.369 30 10 IEEE COc1nsc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1Br 1646109856 ZICKWKMQPCEMPR-LLVKDONJSA-N 435.303 2.455 30 10 IEEE C#CCOc1ccc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 1647845041 ZBCKIIOYOXNLQF-UHFFFAOYSA-N 446.551 2.394 30 10 IEEE CC(C)[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1CCN(C)CC1 1648600499 QZFJFFPGTJPSHB-QFKVYABISA-N 447.624 2.161 30 10 IEEE CC1(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)CCN(c2ccc(Cl)cc2C#N)CC1 1648709372 PTCIYSLEMGEMHT-AZUAARDMSA-N 428.920 2.424 30 10 IEEE C#CCOCCN(C)C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 1649057376 SCCINRDAJFMIIX-IRXDYDNUSA-N 428.558 2.444 30 10 IEEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(C(F)(F)F)c1 1660037392 DYMZUBHRFHZWFH-MJGOQNOKSA-N 440.466 2.201 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CC1 1678146153 FDEWIQMPHJQFRW-AFARHQOCSA-N 440.588 2.263 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)C1 1679944302 KOVZHRUVSHEYRL-FIRUKDTASA-N 436.534 2.379 30 10 IEEE COc1cc(CCCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc(OC)c1O 1684359672 ATXVBNFRGSVAEF-UHFFFAOYSA-N 425.489 2.140 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1 1689915008 NGJLRLMZQGVQTR-UHFFFAOYSA-N 433.354 2.422 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1690019642 NUKBZVJWVSWHJT-JOCHJYFZSA-N 449.555 2.099 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN(C)C(=O)OC(C)(C)C 1690099782 LDEAOEDWTMEEGD-UHFFFAOYSA-N 431.541 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@H]2C)CC1 1690137659 GFLRKVDNJBZFLF-FPGHNAPASA-N 443.592 2.332 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690244457 XNLDTNKHBOHNEH-VXIWKAIFSA-N 444.507 2.426 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1690245305 GQQLKQNONHVASK-QYZOEREBSA-N 432.569 2.352 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccco2)CC1 1690252778 ISQRDNQURTYBRD-YLJYHZDGSA-N 429.521 2.351 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1690300732 IXABXQFZCJVZKM-PKOBYXMFSA-N 449.577 2.059 30 10 IEEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1690534845 NLXOIXRULNGYGR-UHFFFAOYSA-N 431.562 2.483 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690622418 PFDHXSWUYQNTFR-CVEARBPZSA-N 436.557 2.123 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1690786589 OHGYQNBTSGGALB-OAQYLSRUSA-N 433.560 2.383 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1 1696142473 OIVNWFZCXKHKAL-OAHLLOKOSA-N 436.472 2.266 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1697211394 GEUUPHWBMFYSFB-KNQAVFIVSA-N 427.505 2.149 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705475607 NMFOJOVPLNAIGD-ICSRJNTNSA-N 430.597 2.109 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1ccccc1 1705533257 WPDAQKYBOXPOSE-ICSRJNTNSA-N 445.589 2.264 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705537959 WOBZUKDZGFSQLQ-KNQAVFIVSA-N 439.560 2.436 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1705538200 GAASJACWMCBAJD-UHFFFAOYSA-N 449.559 2.372 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1705565089 SHIDJAASSBQTAN-LJQANCHMSA-N 425.489 2.154 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccccc1OC 1705587731 GWVMELZMJWLYCL-LJQANCHMSA-N 435.528 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C)no2)CC1 1705650317 PDWJDUWIXWTLNK-UHFFFAOYSA-N 448.527 2.188 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705700443 TZWMCIDSQHIZMT-RTBURBONSA-N 437.610 2.292 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728246 CTSMKYYFAUYRTH-JOCHJYFZSA-N 434.585 2.479 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705821533 ABGOCQZILRVTNJ-UHFFFAOYSA-N 440.523 2.468 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1705841099 NTXXOMCSQCXNEE-HSZRJFAPSA-N 435.532 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)C[C@@H]1CC 1705930602 QVDKYOSHPZBYGE-CVEARBPZSA-N 432.550 2.151 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1708331511 DVMFROFFPSPRHC-GCJKJVERSA-N 436.520 2.323 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1711703248 KWISEKYQWRMFLP-IRXDYDNUSA-N 435.431 2.115 30 10 IEEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1712359321 NRRHWGQURCREQY-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365842 FPBVMXRSGCILRF-OFNKIYASSA-N 442.585 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC1CCS(=O)(=O)CC1 1722385451 GOZXTFLJHIBXKK-UHFFFAOYSA-N 426.542 2.063 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 1722434811 WSHKDWFGEDCJLU-UHFFFAOYSA-N 429.952 2.285 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722462033 HYAWBAOOUIHOIS-FOIQADDNSA-N 433.603 2.384 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722532269 HGKKPHDPTKHFHB-INIZCTEOSA-N 429.525 2.071 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1722537880 GZCRRYSWCUWCHI-IAGOWNOFSA-N 428.599 2.270 30 10 IEEE CNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729611895 AAOPOZXSULSCLH-UHFFFAOYSA-N 425.512 2.265 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1740535649 SSEDTWCUACZSTB-WZONZLPQSA-N 435.532 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1740551431 UOJXABXOWYBKTK-UWJYYQICSA-N 425.533 2.095 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740575500 OLEXAGUJRAAPTM-VGOFRKELSA-N 428.537 2.138 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1740592032 YQMRICGMQMJFQK-FUHWJXTLSA-N 431.562 2.430 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1740624820 BBKKMMDEKCLQHW-GOSISDBHSA-N 430.574 2.442 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1740676257 XLXHAQMDYFNPGL-IYBDPMFKSA-N 428.541 2.178 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N(CC)CC)CC1 1740700285 MYAXIHXUGPDUQL-IBGZPJMESA-N 428.556 2.482 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(CC)CC)nc2)CC1 1740818811 VSOSIVMCOMVTNM-KRWDZBQOSA-N 447.609 2.334 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1740899908 JPUFKDCPRXUPBY-RXVVDRJESA-N 426.565 2.439 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(C)c2)C1 1740979880 GOADATOVEFOCNE-WOJBJXKFSA-N 425.533 2.302 30 10 IEEE C=CCSCCn1c(N2CCN(c3cncc4ncnn34)CC2)nnc1C(C)(C)C 1741004558 FIXUUPDNEROJTG-UHFFFAOYSA-N 427.582 2.259 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1741133421 QMIHEORJAJRNFU-GOEBONIOSA-N 445.545 2.332 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1741803893 TWMWIVDJRQQPLZ-NVXWUHKLSA-N 445.568 2.410 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1743420401 PMNVWWPKARWURL-ZWKOTPCHSA-N 444.511 2.208 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1746674753 HISDXMUFNPFXQJ-QFIPXVFZSA-N 439.520 2.072 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1747901489 PZKBLODFSGABEG-NRFANRHFSA-N 433.516 2.481 30 10 IEEE C#CCCCn1c(N2CCO[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748763815 AQROBMGSSCTTNY-KSZLIROESA-N 433.553 2.314 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1748784773 TYWVKVMOHQXOBN-WJOKGBTCSA-N 438.557 2.046 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOC2=O)cc1 1748869285 AFIKVZMPVFWCMH-NRFANRHFSA-N 444.467 2.150 30 10 IEEE COc1ccc2c(c1)C(CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)=CC2 1748887797 PAGDRKLJADPTJO-LJQANCHMSA-N 436.516 2.183 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC[C@@H](C)C2)CC1 1749004913 QATPHOZEPUJHBX-CEXWTWQISA-N 431.581 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCSC(F)(F)F)CC1 1749010731 WDKPDDHFIDPVMN-OAHLLOKOSA-N 445.511 2.391 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC=C 1749071980 ZWVPKHFECSAYJY-JOCHJYFZSA-N 438.557 2.110 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1749075836 IDWCPRSSQOTSLV-SJORKVTESA-N 447.561 2.429 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749089910 HVNMUUJMWMKDQL-ZDUSSCGKSA-N 449.309 2.228 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)NC)CC1 1749116018 YOCAOJCJSOPTIF-IEBWSBKVSA-N 446.596 2.140 30 10 IEEE COCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1750102013 WSOZDTADDSQIAT-MRXNPFEDSA-N 436.310 2.099 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)CN(C)C 1750647058 FBAFHXVATWBBBS-QGZVFWFLSA-N 425.585 2.366 30 10 IEEE C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1751178557 HSKIJOUTCHFWMC-MRXNPFEDSA-N 425.493 2.314 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCNC(=O)c2occc2C)n1 1751838834 LCJVPWVNYSCJIQ-OAHLLOKOSA-N 438.536 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1760117552 QFMIBBXHSQUCSF-YJBOKZPZSA-N 432.546 2.462 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CS(C)(=O)=O)CC1 1760196560 URCGAXPHSNACGV-UHFFFAOYSA-N 448.552 2.233 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)CCOC 1760211703 LASVJNBZAJIKIH-FQEVSTJZSA-N 448.365 2.297 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760279667 HUWSWQNTNFUKQX-QGZVFWFLSA-N 425.518 2.284 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760279892 ARSPGOYGBGDZIP-OXQOHEQNSA-N 440.635 2.188 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1760334152 SJFCAUOWGPVIKU-UHFFFAOYSA-N 427.534 2.028 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760519500 GPOVSJYJBZJJEA-CTNGQTDRSA-N 438.576 2.103 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1760848444 ALLGMFBDAMWOID-LJQANCHMSA-N 446.559 2.484 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1765479069 ZHIOQHASSBVUHS-CABCVRRESA-N 429.525 2.154 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)C(F)(F)F 1768052026 DUBVJEWHBMCZQU-BRWVUGGUSA-N 448.449 2.499 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1768172180 KFHWGJBTVWOOSW-LJQANCHMSA-N 437.592 2.458 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCOCC1 1771295549 UFCYHYLWSLOPDB-MDKPJZGXSA-N 437.516 2.030 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 1772790999 JHVMJFJVWZAQKI-IBGZPJMESA-N 436.445 2.461 30 10 IEEE COc1cnc(C(F)(F)F)nc1N1CCN(CC(=O)Nc2ccc(CC#N)cc2)CC1 1851776575 IUHQVEHEBVFUKD-UHFFFAOYSA-N 434.422 2.331 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)CN1CCC(F)(F)CC1 1852074165 YVCALLISIFBXTM-UHFFFAOYSA-N 433.912 2.064 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)cnn3CC(F)(F)F)CC2=O)cc1OC 1852245585 OOEJNWNKUDLHCF-LLVKDONJSA-N 437.378 2.326 30 10 IEEE C=CCN1C[C@H](C(=O)OC[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1852586005 ZINZQWVUMDHQMC-HZPDHXFCSA-N 440.949 2.318 30 10 IEEE COCC(=NOCC1(C#N)CC1)NS(=O)(=O)c1cc(OC)ccc1Br 1853465698 QQEQDBWXCXTPNS-UHFFFAOYSA-N 432.296 2.016 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C2(CCCCC2)C1=O 1856300357 BJLBLUFPRGWVLF-UHFFFAOYSA-N 427.885 2.455 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CCC)nn2CC 1864321104 HTZICCCOVWXFQE-GOSISDBHSA-N 426.517 2.223 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCOC(C)C 1870480260 SEVVGSWBXJATHE-UHFFFAOYSA-N 436.549 2.406 30 10 IEEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C#N)cc3F)CC2)cc1 1891363032 UAQLRCZYXGRMJS-UHFFFAOYSA-N 435.463 2.030 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)=C[C@@H]1O 2067765127 UUVDNUKPJHCLHD-ALYAQQCSSA-N 434.342 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2224128524 VQYCRCKDOUJJCA-DOTOQJQBSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247836048 VWFFZEPFMFSTKP-ITGUQSILSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247921653 SPYLQQPMDGAPIG-XBFCOCLRSA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2255602854 XZIOINHIERFUER-UHFFFAOYSA-N 434.342 2.250 30 10 IEEE C[C@H](CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255649858 MJPZMIDPAMLQDY-CQSZACIVSA-N 436.362 2.143 30 10 IEEE Cc1c(C(=O)N(C)CCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832344 KQSODXWGEOOUFL-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2255874171 KBGDFABUZQHZRM-UHFFFAOYSA-N 431.342 2.464 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255953704 MRGJBYWTZQOTOU-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE Cn1cc(C(=O)N(CCCC(=O)O)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2256923281 HKEPGZSNKFXYGN-UHFFFAOYSA-N 427.310 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]1C2 2267094577 HWYDXMPIQOWUCN-SOUVJXGZSA-N 446.357 2.227 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCCN1C(=O)OC(C)(C)C 2267131716 GCFQQURFPFWWCU-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)n1 2267150935 WOSKESYIMBUCQD-ZBFHGGJFSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267194889 STVYIKYEESBXAL-QKDCVEJESA-N 446.357 2.369 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267494691 VDJLDBGAFJUHRX-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 2267497146 JKOGZZIGOYTXLW-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267502801 TXLGFGKKDRXLND-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267550516 ANQYSYYKIVECAO-OLZOCXBDSA-N 444.259 2.498 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267812514 BTISIMHVEPGFLW-HUUCEWRRSA-N 448.325 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCC1 2267875439 GTCDIZMODVKUBQ-UHFFFAOYSA-N 446.357 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CO1 2268648162 WRIOYVCAKDZESJ-CABCVRRESA-N 447.341 2.249 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268687629 MRJZUEGZZJCACF-QGZVFWFLSA-N 446.353 2.415 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)OC1(C)C 2283067100 DFTDBHAJACXWNJ-UQBPGWFLSA-N 448.376 2.370 30 10 IEEE Cc1csc(CN(C)S(=O)(=O)C2CC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2295335588 MDSCVXPAOHODEY-UHFFFAOYSA-N 443.396 2.023 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cccc(OC)c1O 2328261521 MOLPOHLSNLNFEX-UHFFFAOYSA-N 443.485 2.040 30 10 IEEE COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@H](O)C(=O)O4)[C@H]13 2333242415 TVCONGKEWSYBKD-WYUFSWGSSA-N 430.497 2.095 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 2337203450 YAXYLTOFRFOBSD-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2365212104 QJTKCYQWKIPQEQ-WOIUINJBSA-N 436.574 2.217 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1 20293156 HNAKYWOZGOTKIQ-LSFURLLWSA-N 433.444 2.456 30 10 IEEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)n1 20805417 HTBMTMBEKUUUKT-KPSZGOFPSA-N 448.582 2.328 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])cc1 40617915 OVZBTXVGJAZDON-UHFFFAOYSA-N 444.477 2.012 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 59826664 OTEMXXUHJPPZHH-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 71530720 BKOCNOBGLKJLNX-CYBMUJFWSA-N 427.504 2.020 30 10 IEEE Cc1cccn2c(=O)c3cc(C#N)/c(=N/C(=O)c4ccncc4)n(C[C@@H]4CCCO4)c3nc12 102746726 CIMGORAANATHHE-TYPSIBJGSA-N 440.463 2.144 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1C#N 427776354 FVCNUWUUVVGXPB-UHFFFAOYSA-N 425.514 2.349 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 431765720 NJMBFKMVVJEGBO-AWEZNQCLSA-N 432.912 2.080 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1cccc(C#Cc2ccccn2)c1 439399779 XVYFZGLJIFWRKV-NCYKPQTJSA-N 433.464 2.438 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)cn1 462093851 SIFGLDFGCMQNHZ-UHFFFAOYSA-N 449.446 2.033 30 10 IEEE O=C(CN1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1)N1CCOCC1 474717990 WEMKBHYRIQXJIC-UHFFFAOYSA-N 432.524 2.095 30 10 IEEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482602890 HIKUZACXSZUIGI-INIZCTEOSA-N 432.571 2.089 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487159343 QRHFUBKWNKMMFY-INIZCTEOSA-N 434.422 2.253 30 10 IEEE CN1C(=O)C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 508506492 SHEIFOBAJDHROR-GHTZIAJQSA-N 445.928 2.215 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 508882561 YSODNJRAMJMCRP-KRWDZBQOSA-N 442.564 2.185 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508947583 AHDPONMLUXPTKD-YADARESESA-N 437.544 2.433 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)CC1 510082340 QJRWOYMSEVLMIT-UHFFFAOYSA-N 441.601 2.209 30 10 IEEE C=CCc1cc(CNC(=O)N2CCN(c3nccc(OC)n3)CC2)cc(OC)c1OC 517147877 AJOVHNIRPLQAMU-UHFFFAOYSA-N 427.505 2.263 30 10 IEEE CN1CCN(C(=O)CC2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 533055589 MQGUIUIQFRFMGG-UHFFFAOYSA-N 431.968 2.416 30 10 IEEE CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(c3cccc(C#N)n3)CC2)nc1 546890920 OWEQKOIZSNVGHD-UHFFFAOYSA-N 428.562 2.482 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 549320011 DKXJAEFFJBAMAV-INIZCTEOSA-N 433.475 2.033 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 549685655 RIIUCAAWESVDDP-LJQANCHMSA-N 426.565 2.365 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 561078235 HKYOFRKIGNQZTO-MSOLQXFVSA-N 439.482 2.246 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 563288502 DSFAMNBKBDNABR-INIZCTEOSA-N 449.577 2.304 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCOC2)n1 569596063 ZMNFMXUDNQSNHY-SFHVURJKSA-N 430.516 2.278 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)OCc3ccccc3)cc21 586315015 SQPBMKLDLFEWEL-PMERELPUSA-N 427.478 2.273 30 10 IEEE C=C(Br)CS(=O)(=O)NC1(CC(=O)O)CCN(Cc2ccccc2)CC1 686759689 ICFAAJIRWYSOFA-UHFFFAOYSA-N 431.352 2.324 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1C#CCO 703975074 SLWRWIBCVHGUJP-UHFFFAOYSA-N 426.494 2.095 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1C#N 729669458 PUHLKIALRZAUAR-UHFFFAOYSA-N 439.500 2.147 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H](C)CN1CCN(C)CC1 730139860 JIAMWWZRSIIFCX-FXAWDEMLSA-N 443.617 2.231 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cc1csc(-c2nc[nH]n2)n1 732341417 BLYGUQFVHOOTRF-ZDUSSCGKSA-N 440.485 2.358 30 10 IEEE COc1ccc(Br)cc1CN(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465503 GSFLRIOWYKYMFS-WUKNDPDISA-N 437.294 2.126 30 10 IEEE COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)cc1 732663768 FWDVLJIZFZTGFT-IBGZPJMESA-N 440.525 2.308 30 10 IEEE Cc1sc2nc(CCC(=O)NS(=O)(=O)Cc3ccccc3C#N)nc(O)c2c1C 750385378 VDWYAFUNDHDYPA-UHFFFAOYSA-N 430.511 2.464 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc3c(c2)CCC3)C1 760321144 RDEMHBJVDGQMCK-QZTJIDSGSA-N 443.573 2.047 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cc1OC 764431988 HODNCBVAKGNUFH-QGZVFWFLSA-N 426.535 2.260 30 10 IEEE C=C(C)C[C@@H](C)C(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 767991823 SZRQOYRUFFCYAV-SNVBAGLBSA-N 430.324 2.047 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770839026 LZWWRLXWZDQSSQ-KRWDZBQOSA-N 428.514 2.418 30 10 IEEE Cn1nccc1CCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 772772221 JZIOTKZEQUHELG-KRWDZBQOSA-N 439.516 2.266 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 775919300 ITTQGYJBYBHDFZ-ICSRJNTNSA-N 444.532 2.004 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)n1 788558941 BGEUZDPZOPGFQU-FQEVSTJZSA-N 425.489 2.314 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 789218637 IXCNAURLRHNDOQ-IEBWSBKVSA-N 433.553 2.462 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(CC(=O)N2CCCC2)no1 809462042 ROSDTIHBEZROOE-OAHLLOKOSA-N 431.518 2.060 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)n1 812944570 NUQIKMPHGFPSIF-SFHVURJKSA-N 438.532 2.355 30 10 IEEE CC(=NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc2c(c1)CCNCC2 814861553 QEPVSMSKWLFKDO-UHFFFAOYSA-N 428.558 2.232 30 10 IEEE C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=S 874069330 VVUSGQVFTHZWRB-GOSISDBHSA-N 428.562 2.190 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)ccc1O 1084098972 WORDHRCJCVIJJM-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE C=CCN(C(=O)c1cc(Br)ncc1Br)[C@@H]1CCS(=O)(=O)C1 1125953207 CBZQDGWDAHLUIB-SECBINFHSA-N 438.141 2.422 30 10 IEEE Cc1cc(=O)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)nn1-c1ccccc1[N+](=O)[O-] 1132097941 BZNWGPOYCGWFDK-UHFFFAOYSA-N 444.451 2.283 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1134996691 QCRPIWODUPBFJV-SOLBZPMBSA-N 425.432 2.209 30 10 IEEE CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1136358299 MGHIPOUWYCFUHC-ZDUSSCGKSA-N 425.561 2.214 30 10 IEEE Cn1cc(CN(CCn2ccnc2)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1140378009 NMPNHSNENPNMBH-SFHVURJKSA-N 429.525 2.233 30 10 IEEE C#C[C@H](CO)NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 1141496227 NGIPTMLAFPKVBZ-CYBMUJFWSA-N 434.233 2.267 30 10 IEEE Cc1ccc(C(=O)N2CCN(CC3CCOCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1147270999 PWDINNTZYBJFGX-UHFFFAOYSA-N 428.382 2.479 30 10 IEEE COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1179029014 HHDIJWSZEYBEPT-QGZVFWFLSA-N 429.908 2.442 30 10 IEEE C[C@@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@H]1CS(N)(=O)=O 1179432238 XDECZHKXHOFKOI-ZBFHGGJFSA-N 438.981 2.201 30 10 IEEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)c(Br)c1 1251327251 MSHTTYAVMWMCMT-KNHMANMVSA-N 430.299 2.229 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)c1cccc(C#N)c1 1278943798 XMBBUHLCQUTXAU-UHFFFAOYSA-N 443.525 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1286288518 HLNLOUFPJOQWSW-INIZCTEOSA-N 435.532 2.163 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286410932 JNLJCPXACVQGLL-DEOSSOPVSA-N 440.551 2.238 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)N(C)C)CC1 1286473344 QTYFYGIIWSQISX-UHFFFAOYSA-N 431.544 2.035 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)c2cccs2)CC1 1286482758 YFTKIQVJQGUWSG-OAQYLSRUSA-N 442.614 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CC2(C)C)CC1 1286488065 KSIFBVXCTWXNLB-NTKDMRAZSA-N 443.592 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC[C@H](F)C2)CC1 1286492375 JJFADAOMZKJVBG-ICSRJNTNSA-N 441.555 2.244 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286605837 XOWXXDVDMSVABP-UHFFFAOYSA-N 439.495 2.264 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NC)CC1 1286612638 INZWSUDMOJAZRO-UHFFFAOYSA-N 428.537 2.220 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CO)CC1 1286711592 NDYSOUUSXMTUPY-UHFFFAOYSA-N 441.580 2.254 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1C 1289743903 UDQNYWMRKLSCAS-DLBZAZTESA-N 446.458 2.300 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1292277327 OZBOLHNPRZJABT-UHFFFAOYSA-N 434.548 2.428 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1295248798 KWVLUPBTHQRUAJ-DLBZAZTESA-N 443.552 2.411 30 10 IEEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)CC#N)CC1 1296211735 OVAIROSKJMGWPF-KRWDZBQOSA-N 430.626 2.400 30 10 IEEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1296511038 ABPBZCOSGISEDI-MRXNPFEDSA-N 428.374 2.242 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1300468513 BUORNNDOCJGKLR-SFHVURJKSA-N 437.466 2.210 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300487743 MFRKAVIJUCFNHL-GCJKJVERSA-N 445.589 2.231 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(F)c1 1300509821 WETPIVSLEAFCAS-INIZCTEOSA-N 431.537 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCO[C@@H](C)C1 1300523266 ZKZJSNZHCZYUNY-FQEVSTJZSA-N 449.555 2.290 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1300658158 BZTINDXJZLWWHF-LPHOPBHVSA-N 427.505 2.410 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1COC 1300663798 JBTRKTCXRRGPKS-UHFFFAOYSA-N 437.500 2.287 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CC 1300665939 TXMWKQZLQHQSAC-IBGZPJMESA-N 425.533 2.287 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N2CCOCC2)CC1 1300676384 OAOIPUXIDYWIHE-WOJBJXKFSA-N 445.608 2.148 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1300677133 YCCMXTTXERDPDR-SFHVURJKSA-N 443.552 2.218 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)nc2)CC1 1301065453 FHDGVPROKUXDRY-QGZVFWFLSA-N 445.593 2.088 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301137706 WGXCTYCPLJGXIQ-UHFFFAOYSA-N 431.585 2.356 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301252868 SDTRGJFZHLJGNE-LJQANCHMSA-N 444.580 2.051 30 10 IEEE COCCN(C)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301729017 BJVUBHMJKLRTAM-JOCHJYFZSA-N 447.543 2.368 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NC2CCCCC2)CCOC1 1301953943 VQGKTNXNNZRXNO-JTSKRJEESA-N 432.569 2.363 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)cn2)cc1 1302707083 NBWIUQPBROSEOM-UHFFFAOYSA-N 431.452 2.125 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1306555553 IAFAMXPEUPODAH-SJORKVTESA-N 444.511 2.277 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C2CC2)CC1 1314885627 BXIOTRNRSJOLHB-UHFFFAOYSA-N 442.589 2.172 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC2(O)CCOCC2)c1 1316530304 HIVUAVFPXQKKCF-INIZCTEOSA-N 437.422 2.126 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1352384376 JAUPJKOSEZXMIZ-UHFFFAOYSA-N 435.527 2.271 30 10 IEEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCOCC1 1352423154 HSWYVKRNAJSCKR-UHFFFAOYSA-N 427.526 2.383 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)c1OC 1358417306 RBNARJIKOLKJOT-MOPGFXCFSA-N 439.468 2.422 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CCOC 1358941637 RLJOMYMWEVFPFC-UHFFFAOYSA-N 433.578 2.328 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1358961993 ICKSRCMRQZEIGP-LJQANCHMSA-N 444.605 2.007 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1359010776 ZAOPOWPOIUTHDJ-QZTJIDSGSA-N 445.564 2.305 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)COc2ccccc2OC)CC1 1359036114 NHJQIFOBDSRXFB-VQTJNVASSA-N 439.560 2.261 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1359120485 ATQRUKABFOFDAA-UHFFFAOYSA-N 439.545 2.212 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1359187819 YNOSIJOQAYFXLZ-UHFFFAOYSA-N 437.566 2.479 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1359213694 DCRBWBUDTFUFIT-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1C 1359234017 ZRDMGLZIWMSVBZ-WMZOPIPTSA-N 433.578 2.490 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1359272386 QTYCLNFKJPMIJO-SFHVURJKSA-N 431.562 2.307 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1c(C)noc1C 1359303785 AQGGWDXEPNMZBT-UHFFFAOYSA-N 435.488 2.272 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1C 1359329886 YENCJVGKMXEIKB-UHFFFAOYSA-N 439.545 2.096 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359454967 AZNMUIWTEKXVJT-UZUQRXQVSA-N 438.532 2.117 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359509821 HAPKXKVTNRSABB-NRTINQSCSA-N 442.564 2.497 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)C2)c(F)c1 1452523930 HNAWWHGBYQKXRJ-CABCVRRESA-N 426.414 2.441 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1454720717 CMGBGHQXYIEQMT-KXBFYZLASA-N 443.525 2.112 30 10 IEEE C#CCN(CC(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 1463786142 VLPRJVYZQKJVEM-INIZCTEOSA-N 434.489 2.295 30 10 IEEE C=CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCOCC1 1475474459 XVCBETMZPHAGNX-UHFFFAOYSA-N 428.576 2.265 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F 1479165448 JWSJNNXCHLGFSV-GFCCVEGCSA-N 426.457 2.200 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(C(=O)NC)c2)CCOC1 1502618147 GIZFWZSXKZZSCQ-AOMKIAJQSA-N 426.521 2.076 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC(C)C 1507544467 WMGRGATUBFHJTE-SFHVURJKSA-N 433.578 2.260 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC=CO1 1507711755 ZBJITKKBTCTZOH-FQEVSTJZSA-N 437.548 2.231 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCCC2=O)CC1 1507729164 FSLOMFVBOFMAIH-UHFFFAOYSA-N 434.588 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccccc2C)CC1 1507738510 QHFGDEASJIHDOI-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H]1CC 1507802230 AIWKLDJWOIDFFD-ILOCAZANSA-N 425.599 2.494 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507915878 GEWVUSUCLYAUDV-RTBURBONSA-N 432.613 2.421 30 10 IEEE Cc1nc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1511564173 GSOBHDPVGIDNBW-CXAGYDPISA-N 442.911 2.470 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1 1516825195 HHTZTDLAFJMSRU-NRFANRHFSA-N 445.593 2.066 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1519076673 CJDTWRCNZOVBBN-GOSISDBHSA-N 438.532 2.260 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1 1519162680 UVLCOYRHUQCRRV-UHFFFAOYSA-N 447.341 2.194 30 10 IEEE CCOC(=O)Cn1cccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1=O 1537574161 HEUFUAADWSATIQ-HNNXBMFYSA-N 434.493 2.327 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)NCCNC(=O)c3ccc(Br)cn3)n2)c1 1538853805 UETFOOOOWQDOEI-UHFFFAOYSA-N 439.273 2.061 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1539051388 AJCZCAIWOWPGLK-QGZVFWFLSA-N 430.530 2.151 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCCC1=O 1539299886 OROLEIMEPMSHDD-DEOSSOPVSA-N 441.576 2.184 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(OC)c1 1539378057 RHBRHRUZPWOMML-UHFFFAOYSA-N 435.532 2.038 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](OC)[C@H](C)CC)CC1 1539441401 NTYAOPPYBIQVHA-UTKZUKDTSA-N 425.533 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1539467531 UCSWHEAAYBWSJP-HSZRJFAPSA-N 427.549 2.485 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1539524909 QEXKSUIOUUFUQS-UHFFFAOYSA-N 439.585 2.373 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 1539548654 MOIHNNQKGYYFNH-UNMCSNQZSA-N 447.457 2.404 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539752764 ZHLXYEPRAOUYMI-HSZRJFAPSA-N 437.548 2.342 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540036558 ORQDTFZBYBYDMB-WOJBJXKFSA-N 430.553 2.093 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1540171070 VHCHLNYIYKYDIM-ZWKOTPCHSA-N 449.552 2.180 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1540964365 FJHQPEILMNUKOM-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)cc1 1541114056 AULHUQZUDWLGHG-ULJHMMPZSA-N 441.469 2.095 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1541803034 BMJNEWXUVILKMT-SXGZJXTBSA-N 449.602 2.468 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)CC2=O)cc1Cl 1544068201 BVXWTIUKTBGUNU-RDTXWAMCSA-N 445.306 2.431 30 10 IEEE COc1ccc(NC(=O)COc2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2OC)cc1 1544117139 OPDFTIWPANJIRJ-QHCPKHFHSA-N 440.500 2.295 30 10 IEEE CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C#N)CC1 1548320622 AENHRZOPAQTGQA-UHFFFAOYSA-N 426.546 2.456 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1552922043 NXYFDCYJEYLFFV-RWNPKEDZSA-N 449.540 2.285 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1554607363 GRQOQHLEUIUKGT-SJLPKXTDSA-N 438.532 2.259 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(Cl)c1 1555753245 LRRQRDQBFSVQKW-BXWFABGCSA-N 447.923 2.441 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(C3CCN(CC)CC3)CC2)c1 1557073160 DVVGCRFNVWXHQL-UHFFFAOYSA-N 431.602 2.116 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1566485213 JRKVSVCYIDRRKF-HSZRJFAPSA-N 449.507 2.078 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1569129304 VFLGMPNRBNNGRB-UHFFFAOYSA-N 435.528 2.069 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1586204812 MMAKYUUJPVAFFC-JQCXZVQFSA-N 427.567 2.055 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1588040965 SUZLBDKZUVVJEA-QGZVFWFLSA-N 426.498 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCOCCS(C)(=O)=O 1588189224 FSOYAVDEGHXTGK-UHFFFAOYSA-N 434.949 2.123 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1588412558 GWSNJGNBHRTYJJ-UHFFFAOYSA-N 447.630 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nccs2)CC1 1588946954 JIIOQJOFJAHOFS-UHFFFAOYSA-N 438.532 2.479 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1593931854 BAQHCRMSAZWRHB-OXJNMPFZSA-N 425.961 2.376 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNC(=O)C(C)C 1595507215 ZVPURIDIZKXUPD-UHFFFAOYSA-N 436.919 2.248 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1595556072 MSWFADMRYKLERL-YJBOKZPZSA-N 433.940 2.065 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](OC)C2)cc1 1595613322 CDGNBMYKTUIEIH-UYAOXDASSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCc2ccccc21 1595784347 DPXQQOCHHKZIQZ-LJQANCHMSA-N 426.546 2.403 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1596742018 UEODPNKNQRFJLM-HUUCEWRRSA-N 437.990 2.343 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)nc1 1596978834 SMTWHCJLACFDQQ-QGZVFWFLSA-N 447.948 2.378 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC=CCC1 1608580187 ZAUGBMRBCIBMKM-ROUUACIJSA-N 449.563 2.149 30 10 IEEE CC[C@@H](C#N)N(CC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1611393566 FJMXOYWHIIURBA-NSHDSACASA-N 449.314 2.306 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1614343459 QHRJQGUXAGGOKD-FGSXEWAUSA-N 441.488 2.394 30 10 IEEE CCOCCOC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1615175061 BUEZCPPTHUBCKU-QFIPXVFZSA-N 432.540 2.052 30 10 IEEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2OC)C1 1622856838 MWNCUQLLJDXJFN-UHFFFAOYSA-N 429.498 2.122 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1623929771 IQRKTUJQWGWTMA-NYYWCZLTSA-N 444.484 2.144 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccccc2N2CCOCC2)s1 1628942353 WQWDGGAOVBFPBN-UHFFFAOYSA-N 449.598 2.250 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1634015296 HNMYSKRWRJPLLR-UHFFFAOYSA-N 442.541 2.456 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cnc(N4CCOCC4)s3)n[nH]2)c1C 1634286427 MURMZPWSUMQHHC-UHFFFAOYSA-N 427.534 2.299 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636141295 AUQNAICFTFHRHH-FDDCHVKYSA-N 444.532 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H](CO)CN1CCCCC1 1636340969 DBBAOGGSETVANY-FPOVZHCZSA-N 442.560 2.356 30 10 IEEE COCCn1nc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1=O 1636464132 UEYMTUOPYMLJIH-DTORHVGOSA-N 449.298 2.133 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)NC1CCN(CC#N)CC1)C2 1638310113 FAHKFXJJGWRIHF-GOSISDBHSA-N 444.532 2.474 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)c1cc[nH]n1 1639561154 FPXNYDBHDLUBFJ-UHFFFAOYSA-N 445.545 2.435 30 10 IEEE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639783026 UOUYFGMEBOLDKZ-HTQZYQBOSA-N 449.254 2.386 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)n[nH]2)c1 1641929646 FSTCPNGGSBCQMQ-CQSZACIVSA-N 428.499 2.197 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)CC2)cc1 1643437902 HQLKLVIUQWIGTH-QUCCMNQESA-N 447.557 2.415 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)C1 1643888197 IQSBVSCJIQAOPV-SFHVURJKSA-N 439.520 2.025 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)C3CCN(C[C@@H](O)CC4(C#N)CCOCC4)CC3)cc2NC1=O 1644837618 NGFUSGSTCXMPKY-LPHOPBHVSA-N 441.528 2.372 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 1647923391 UQXOBTKKENKCTM-UHFFFAOYSA-N 428.514 2.457 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1652332163 QJLDDCKKZJFRQH-HNNXBMFYSA-N 431.493 2.107 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCCNS(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1652925730 IOKQVDHUZXJSID-UHFFFAOYSA-N 446.569 2.488 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 1659337809 KUCKNELVHNHSLZ-UHFFFAOYSA-N 444.582 2.381 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2sc(Br)cc2C)n1 1661770834 RWHHNATWAGNGHR-UHFFFAOYSA-N 432.365 2.486 30 10 IEEE COC(=O)c1nc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)ccc1Cl 1682594389 ABCRDKREDQBWBG-KRWDZBQOSA-N 427.892 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1689867531 UMQUWZYCLSKHCL-ZBFHGGJFSA-N 428.541 2.477 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941606 RRPFQRBEBOLTNB-NFBKMPQASA-N 442.564 2.142 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689980158 MWHVIAIGSILVDJ-MBSDFSHPSA-N 442.585 2.036 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N(C)C1CCCCC1 1689998448 MMFVHDSEPKMLCD-UHFFFAOYSA-N 426.565 2.060 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@H]2CCOC2)cn1 1690009667 GAXGGTRXRSHTKN-NRFANRHFSA-N 425.496 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2)cc1 1690025493 SIFFQQMDUNTZKD-UHFFFAOYSA-N 430.556 2.117 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1690077315 MNTMZGHTXZBHKW-FQEVSTJZSA-N 435.638 2.398 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)CC1 1690115163 VKUNPUHSNIQKSF-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(CC)C2CC2)CC1 1690117624 PJSNVUHQHCYDDX-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCCCC2)CC1 1690133514 KEBZHWSVFAZJDC-UHFFFAOYSA-N 438.576 2.107 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccccc1OC 1690659658 ZLAHOHKUZQTNNR-QGZVFWFLSA-N 426.521 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC2(CCN(C)C2=O)CC1 1690666849 IPKFTSYRVAOOBN-UHFFFAOYSA-N 442.951 2.349 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1696630539 DLTLDXATNBFIQM-IBGZPJMESA-N 429.546 2.257 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1697778076 WLEISXRDPWDRGX-MOPGFXCFSA-N 425.468 2.113 30 10 IEEE COCc1nc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)cs1 1697833460 GALQSVGSJRJKIX-OAHLLOKOSA-N 444.492 2.376 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccn(C)n1 1698048858 AISBJUAWKZFAQK-HXUWFJFHSA-N 435.532 2.479 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(F)(F)Br 1698245636 HNPMVQGBZGVSTP-COPLHBTASA-N 438.248 2.432 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1705503547 YGQBWHPIEHXDPQ-KGNHYALCSA-N 448.527 2.458 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705538190 FNRXERMQDYBCPC-FQEVSTJZSA-N 425.581 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705647180 AHDNCEKZJXCJHY-HFJQGTKSSA-N 431.581 2.283 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1705652860 PUOPCRBZRDVIAP-QFIPXVFZSA-N 443.548 2.118 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)C#C 1705653473 IILOTVLWNVWITR-OAHLLOKOSA-N 430.603 2.371 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705697337 LGCVUKSMUOLQPP-HZKQSDJQSA-N 447.580 2.040 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705821512 ZOIVLZIOLFEWNF-INIZCTEOSA-N 441.565 2.132 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1705836435 SYFHXDXWMWXYEU-GFCCVEGCSA-N 428.356 2.103 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712184828 QRVPHTMFNAKNNR-VQIMIIECSA-N 432.475 2.451 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCO[C@@H]1C 1712458918 BODSOQIRKWMDTE-JPYJTQIMSA-N 438.532 2.187 30 10 IEEE C#CCCCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722321915 DGYQNBVGTOZMNQ-XZOQPEGZSA-N 442.564 2.219 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1722363213 ZHMWBASQCCXZQH-SFHVURJKSA-N 427.555 2.271 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1722419824 CSBNTWPDLLTIDH-IBGZPJMESA-N 446.548 2.386 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1c(C)nn(C)c1C 1722426601 KTGYPZYQRRCKLQ-NRFANRHFSA-N 436.516 2.275 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCOC)cc2)CC1 1722437699 VZERWALTTYFWEY-QFIPXVFZSA-N 439.560 2.348 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)CC1 1722530667 YGGWBGKTIQYQLL-UHFFFAOYSA-N 429.521 2.035 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2ccnn2)CC1 1722576253 MBSNTQICZCMMAH-UHFFFAOYSA-N 441.561 2.433 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1722625794 XXCNYAIRHNGOFV-GOSISDBHSA-N 443.548 2.076 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722629684 WIRVYNISSLOTPW-UHFFFAOYSA-N 447.543 2.214 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1722681706 QTGBGCRBQMFDDM-GOSISDBHSA-N 427.505 2.426 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 1722879188 AKEUUJPGABNZML-TXPKVOOTSA-N 447.561 2.166 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)C1 1724014295 AMZDFXGPAFHTPQ-LEWJYISDSA-N 444.561 2.205 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1729304284 FDAQUJVEAUKCLV-UHFFFAOYSA-N 444.543 2.407 30 10 IEEE COCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730694175 AMIXPHTYFWAOFF-SFHVURJKSA-N 426.521 2.175 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1730919079 NBZMSUCWCKEAKK-NHCUHLMSSA-N 441.532 2.254 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1731188249 CQLYMWVTPWEJSF-NEPJUHHUSA-N 428.440 2.424 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1740581262 UAYQXIODNRPZTD-MRXNPFEDSA-N 431.562 2.391 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1740623505 VNHLQTKNMDRHOV-KRWDZBQOSA-N 428.562 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1OC 1740658373 HWKBGQDQMMMEBG-IRLDBZIGSA-N 433.512 2.243 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cc(C(F)(F)F)ccn1 1740683805 OJFMJMKNSZVXJU-UHFFFAOYSA-N 431.422 2.478 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2ccco2)CC1 1740700261 MBKGQDOXPXICEN-FPGHNAPASA-N 441.576 2.453 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C)CC1 1740709084 AFUWDOLLXCGYET-UHFFFAOYSA-N 426.590 2.418 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740714699 HWGMFMWQNSMNIV-UHFFFAOYSA-N 448.552 2.375 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740746581 MEFCQCOJGPHJQB-TZMCWYRMSA-N 437.367 2.257 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1740796611 ZKHFQSMGRKZKJZ-UHFFFAOYSA-N 442.564 2.126 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1740843474 IVJZFRXRHQQZIZ-CQSZACIVSA-N 434.566 2.154 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)F 1740920852 HOPNUGAAJRVFCP-UHFFFAOYSA-N 431.422 2.448 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2CC)C1 1740975578 WLPPEBRQTGYNEZ-CQSZACIVSA-N 447.341 2.477 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1741804446 CSNVJIITDSCHLK-INIZCTEOSA-N 442.545 2.292 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@H]2CCOC2)cn1 1748682020 PBBVQXFIWUSACS-RDJZCZTQSA-N 425.562 2.492 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1748747198 DFRVTSFMSPLVEU-IRXDYDNUSA-N 430.553 2.478 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748819333 NCSVQQLAYHIEBK-HXUWFJFHSA-N 439.516 2.078 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749285644 RUFRSSCKDSVOPH-BZSNNMDCSA-N 427.977 2.302 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCC2)C1 1749676443 QHTOOBIHYAGYOT-SFHVURJKSA-N 429.594 2.001 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1CC 1749738630 SFVPQYYNTSPKDW-OAHLLOKOSA-N 437.591 2.249 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1750030426 LURUTCLKFQNRNB-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccccc2Br)CCO1 1750386019 FYFWHXKLTYEGJP-AWEZNQCLSA-N 426.278 2.275 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750472386 MLAOAHDLTVWCFF-XANXLALBSA-N 442.564 2.398 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760145263 LHGLJLGMDXAVFI-PXNSSMCTSA-N 441.532 2.181 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1760172473 RHSNOMMEKCTXFH-GOSISDBHSA-N 434.585 2.040 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1760187293 CNUZMRPSRGGYGS-QZTJIDSGSA-N 431.587 2.253 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@]2(C)CCCO2)n1 1760252863 SITPBFWALGTDRF-HSZRJFAPSA-N 435.532 2.392 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOC2CCCC2)CC1 1760257066 NUCQWEGFKUVKPE-HSZRJFAPSA-N 431.581 2.035 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(CC)CC)CC1 1760264367 KKXORJNQBPCYTF-FQEVSTJZSA-N 435.576 2.214 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCNC(=O)C(C)C 1760325737 SFCOHRGVHWHFHX-FPOVZHCZSA-N 443.596 2.329 30 10 IEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760372903 ADRMITZMSZFSDV-CYBMUJFWSA-N 448.936 2.360 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1760477528 CLUBAKMWAOXXKJ-AUSIDOKSSA-N 441.532 2.236 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1760516926 YGGCZFUCCVRKMT-GBESFXJTSA-N 432.613 2.419 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760523519 AWMPGDLJALTGQP-GOSISDBHSA-N 440.548 2.084 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CN(C)C(C)C)CC1 1760524661 FJOJZWUCKHZOAH-UHFFFAOYSA-N 425.581 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558355 MWPOWCPBGKSWKG-XLIONFOSSA-N 426.583 2.156 30 10 IEEE CC(C)[C@H]1CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760949969 BEJCVXQFAWEICX-KHOFPDMRSA-N 435.532 2.415 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1761360371 LANAGCTXWBBSPQ-HOCLYGCPSA-N 438.458 2.127 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCS1 1763089013 CTWYJMCTHJSAHQ-DOTOQJQBSA-N 446.602 2.040 30 10 IEEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1767153221 LPZFTZXLRLJSEP-HSZRJFAPSA-N 439.612 2.226 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C[C@@H]1C 1769477101 APZRZVPBJJDABK-KRWDZBQOSA-N 434.504 2.380 30 10 IEEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)cs1 1769550223 DSTVALKWMIOIKJ-BBRMVZONSA-N 437.529 2.341 30 10 IEEE COCCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769726226 ZBZCHPCOBPKKTK-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1770156640 KDMIBUNBCYYOLM-JPYJTQIMSA-N 441.532 2.254 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1770433115 WIDXHYZKTPAITJ-HNNXBMFYSA-N 426.546 2.291 30 10 IEEE Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(CC#N)cn4)CC3)nn2)ccc1F 1851598708 BLSBBIMBFCBSKL-UHFFFAOYSA-N 447.474 2.211 30 10 IEEE C=CCN(C(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)[C@H]1CCN(C)C1=O 1852008472 IIRPTGGNYQYGKS-FQEVSTJZSA-N 436.560 2.070 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1852210936 KBDCSOPYQVBCGE-UHFFFAOYSA-N 435.509 2.227 30 10 IEEE CN(CC(=O)OCCN1CCN(c2ncccc2C#N)CC1)c1nc2ccccc2s1 1852428312 ADANHBLEYQGTGA-UHFFFAOYSA-N 436.541 2.365 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(C)C)CC2)n1 1852827361 ARVBBUGZTNZSFQ-QGZVFWFLSA-N 437.466 2.438 30 10 IEEE C=C[C@H]1CCCCN1[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C1=O 1854567804 LRUZCVWONSHRNS-FXAWDEMLSA-N 434.558 2.417 30 10 IEEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)C2CN(c3nc4ccc(F)cc4s3)C2)C1 1855474515 UVEBCEDJWAVENV-AWEZNQCLSA-N 429.521 2.482 30 10 IEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870962317 RMBRJWRZZGTCIY-UHFFFAOYSA-N 435.908 2.450 30 10 IEEE C=CCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1872706678 JWPYFCMRAWCOTJ-NSHDSACASA-N 448.501 2.366 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1874280550 VBZFKULXKZDJMG-HJGVYBFFSA-N 447.561 2.376 30 10 IEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc1 1874433879 BXPQRXHOVRXHSI-FSJBWODESA-N 444.561 2.346 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1895864096 GOAWGUFYZAZWFE-ARFHVFGLSA-N 427.542 2.190 30 10 IEEE CC#CCCC(=O)Nc1c(I)ncnc1I 1995460546 APKUHSHJPNWMNC-UHFFFAOYSA-N 441.010 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2011471248 LRNKJLSYDAYUCG-OWCLPIDISA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1(O)CCC1 2014486503 UOGGQIFLEDQFTB-RTBURBONSA-N 428.533 2.031 30 10 IEEE C=C(I)CN1CCC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2021157186 ILJKGXUHPNXUDI-CQSZACIVSA-N 449.333 2.479 30 10 IEEE C#CC[C@@](C)(CO)CNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2025332597 YTKDZZVBFGTDPY-DNQXCXABSA-N 429.561 2.294 30 10 IEEE CC(C)(C)OC(=O)NCCOCCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085660957 UGXASOQVDABDHK-UHFFFAOYSA-N 435.330 2.251 30 10 IEEE N#C[C@H]1CCN(S(=O)(=O)NCc2scc(Br)c2Br)C1 2108279130 ZYPGLPSIKSOJAO-SSDOTTSWSA-N 429.159 2.453 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2211763929 WZGKKUFZTHFGKP-LLVKDONJSA-N 434.278 2.073 30 10 IEEE CCc1nc(C(=O)NCCNOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2247901937 QLHCJHGWEXOSRF-UHFFFAOYSA-N 431.367 2.456 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C 2255624245 WWAHVYVRTNOBGT-CQSZACIVSA-N 436.362 2.187 30 10 IEEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)C[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2255630162 GOXURFISRVBQLH-MRXNPFEDSA-N 427.354 2.305 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255698010 FNZWIAXPQNVVDN-UHFFFAOYSA-N 429.326 2.074 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255806129 DKNIOKCBWFSVJX-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255813098 ZWQDGYJMFGYXSV-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255818207 HVJPTMWEVSFDDO-SFHVURJKSA-N 426.322 2.210 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256595033 GSGBHSCGMOKFLD-UHFFFAOYSA-N 430.274 2.098 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256617899 NCNCHWCQXFMHBT-PBHICJAKSA-N 434.342 2.049 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)cc2)OC1(C)C 2256882975 QGNFNOVXCOZGCA-IBGZPJMESA-N 425.290 2.386 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2266992817 CVUCLIUAHCIKLM-DEOSSOPVSA-N 440.349 2.254 30 10 IEEE Cc1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267139595 IONFNXLZYIWPGC-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)n1 2267153664 SFHZKDJKWRLCCK-HOCLYGCPSA-N 448.373 2.235 30 10 IEEE CCn1cc(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2267185391 URIOCHDLPLVVCZ-UUOWRZLLSA-N 436.365 2.207 30 10 IEEE Cn1cc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188417 LVQPQBFKBZVVEO-CABCVRRESA-N 448.373 2.141 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2267269553 FRALMRCMMIEVQZ-HFTRVMKXSA-N 445.369 2.452 30 10 IEEE CC1(C)OB(c2ccc(F)c(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c2)OC1(C)C 2267407051 NAOWYPVSXKTWBK-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2269710853 GTLRLLDOBIYCKS-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE CCN1C(=O)[C@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 2296940724 GGPFWLNFKLUGBE-XMMPIXPASA-N 437.496 2.482 30 10 IEEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2315522003 FVRBCDVKXMEECS-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE Cc1nc(NC(=O)[C@@]23C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C3)ncc1B1OC(C)(C)C(C)(C)O1 2334388334 PDZROKBPCPKMFW-XUHFEKCNSA-N 444.341 2.326 30 10 IEEE C#CCN(C1CCOCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364193261 SESZBFVFJGYDRS-UHFFFAOYSA-N 432.542 2.287 30 10 IEEE C#CCN(CC(=O)Nc1cccc(CSc2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 111046496 XFJGPEBTHVLKKR-IBGZPJMESA-N 429.567 2.435 30 10 IEEE Cc1sc(C2=C(N)N(c3ccc(S(N)(=O)=O)cc3)CC2=O)nc1-c1ccccc1 170181293 CVIYRALFLYKHTC-UHFFFAOYSA-N 426.523 2.483 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)cc1C#N 427206847 ULRSFZUATMGJJM-UHFFFAOYSA-N 434.421 2.453 30 10 IEEE COCCc1cc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n(C)n1 494304458 UFKMQDJAOGZRHN-UHFFFAOYSA-N 425.449 2.083 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc(OC)c1OC 505520889 SESKLAFTVAHXQJ-OAHLLOKOSA-N 428.836 2.336 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CS(=O)(=O)c2cccc(Br)c2)cn1 546607855 AQGXRQMHHKPXAH-UHFFFAOYSA-N 446.286 2.314 30 10 IEEE C=C(C)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1C(F)(F)Oc1ccccc1 549658608 YTNUCANPTAYJBR-UHFFFAOYSA-N 434.491 2.241 30 10 IEEE N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)ccc1OC(F)(F)F 549775499 DWCDYRHPQGKRHO-WBMJQRKESA-N 441.406 2.079 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(Cc4nccn4C(F)F)CC3)C2)c(F)c1 553237574 CJRITMWFBFZFMZ-MRXNPFEDSA-N 432.450 2.460 30 10 IEEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 553644464 IGPRKBMHLQQJFX-LJQANCHMSA-N 443.953 2.305 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 555285339 FLKBBFAGQUDDHU-GOSISDBHSA-N 431.924 2.444 30 10 IEEE CN(CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C(N)=O)c1cccc(Br)c1 557219148 PWTUPPNTZRZBKA-KRWDZBQOSA-N 436.331 2.253 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)c1C#N 562178811 JUCIFCSCHKIBPK-CYBMUJFWSA-N 431.468 2.303 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C(F)(F)F)c1 727415606 WQOJUXOEDBWZCD-UHFFFAOYSA-N 445.422 2.316 30 10 IEEE Cc1cccn2cc(COc3ccc(C(=O)NCCN/C(O)=C4/N=CC=CC4=O)cc3)nc12 731860977 CWTKKLYEWIGLHI-FLFQWRMESA-N 445.479 2.478 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cc3c(nc2O)CCC3)C1=O 733077736 KCDYYHRZBSVAQT-SFHVURJKSA-N 435.509 2.415 30 10 IEEE Cc1nccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCO3)n1 735223477 BNQGKPOJCMLQKS-GOSISDBHSA-N 439.497 2.314 30 10 IEEE COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1c(C)oc(-n2cccc2)c1C#N 745551011 WHCCQYYTAFWWPV-YBEGLDIGSA-N 429.454 2.387 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 746640065 JPSSYCUVGKTWDR-GOSISDBHSA-N 440.569 2.238 30 10 IEEE COc1ccccc1C[C@H]1CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 746865622 FAXUFWOOZIILTJ-QGZVFWFLSA-N 427.526 2.358 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 748067142 ZQGOUVREESMJIJ-UHFFFAOYSA-N 436.455 2.447 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)cc1F 751925598 RZKWSOQWWMWLGH-AWEZNQCLSA-N 432.468 2.099 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(Cc3ccon3)c2=O)cn1 765146569 VNDFEKCDPLFJLE-UHFFFAOYSA-N 439.541 2.061 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCF)c1 767734467 DLOQIUYSIZVOEA-QGZVFWFLSA-N 437.541 2.004 30 10 IEEE CCc1ccc([C@@]2(CC)NC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)cc1 768484185 XWNMNBLSAKNNSC-XMMPIXPASA-N 432.528 2.452 30 10 IEEE C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771677274 UWGCVOIQQSQRGA-DNVCBOLYSA-N 427.526 2.356 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774261413 IJIABRLSQXKIBT-ZTFGCOKTSA-N 427.929 2.056 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 782525179 TVHWUTQSKPICHT-SFHVURJKSA-N 433.859 2.456 30 10 IEEE C=CCC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCC1 791564639 VFASAOVQESKCOU-RQZCQDPDSA-N 432.542 2.421 30 10 IEEE COc1ccccc1NC(=O)Cc1nc(COC(=O)[C@H](C)n2cnc(C#N)n2)cs1 798746300 QXHKCBLZFMCTMI-LBPRGKRZSA-N 426.458 2.100 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCO2)CCN1C1CC1 802683115 RUPSEUITDAWJFO-HZPDHXFCSA-N 446.353 2.391 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO2)CCN1C1CC1 802690459 IFBGDDFRWRGQHB-MSOLQXFVSA-N 426.496 2.352 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 804459523 ONPLPQSSRICIBX-UXHICEINSA-N 429.542 2.443 30 10 IEEE C[C@H]1CN(Cc2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 805843101 CDQWIQLHDRFYMS-CALCHBBNSA-N 427.526 2.427 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C#N)c(OC)c2)c1 810865121 QDFCOTUFMBNYLE-UHFFFAOYSA-N 437.905 2.075 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 810980524 BBEDCQKMXPVQCI-QZTJIDSGSA-N 430.480 2.375 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cn(-c2ccccc2Br)nn1 916775703 GNHYECJZPOZHIM-UHFFFAOYSA-N 446.286 2.161 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 1132934664 ROZLQQDAMSVSCL-JTDSTZFVSA-N 438.546 2.112 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 1141400765 SVILYVAHKIDVHM-CQSZACIVSA-N 431.942 2.328 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](c2ncccn2)C1 1155609120 BINKTENBLQFALK-WMZOPIPTSA-N 441.557 2.336 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCC#CCO 1155733603 XJBAKYCAQVHJAI-IBGZPJMESA-N 447.532 2.088 30 10 IEEE CC(C)[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1163597670 FHDJQSXTFGSHHH-ZBFHGGJFSA-N 437.562 2.234 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3[C@H](C)CCC[C@@H]3C(=O)OC(C)(C)C)CC2)o1 1171446193 HVGHYAHMLWYEIT-CRAIPNDOSA-N 431.537 2.088 30 10 IEEE C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(=O)NCCc1ccccc1 1191053094 CRKCWLFHUYEVHZ-CYBMUJFWSA-N 436.331 2.346 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OCC 1194187338 UHBQPPOIUYMCQT-GOSISDBHSA-N 436.534 2.267 30 10 IEEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)C1 1197219650 FQFMPMOUPRVMBT-SJORKVTESA-N 433.530 2.137 30 10 IEEE CC#CC[C@@H](CO)NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1221968640 ZUXODBMMCRBZBB-AWEZNQCLSA-N 431.352 2.075 30 10 IEEE CC#CCN(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1248431864 QHOJEIQFWJUIAA-HNNXBMFYSA-N 428.352 2.267 30 10 IEEE C#CCN(C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 1256316687 BYTWFKWAPCCNOO-CLAROIROSA-N 429.586 2.119 30 10 IEEE C[C@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1(Br)Br 1264769047 DLUYYKYBJSZDJY-CQSZACIVSA-N 428.128 2.498 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1286393948 MLCNNJVKBAOLSO-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1286505177 VXSUIZLNOJBTLK-WMZOPIPTSA-N 442.564 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286546425 JGMXTHGXXQDLNY-OWSLCNJRSA-N 425.599 2.243 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286565366 JPSKOSSWQMBYOK-ZVDOUQERSA-N 446.596 2.378 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286798258 FBLSCMLOORWCBS-IEBWSBKVSA-N 425.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286819140 BHYIRCDBXPGRGJ-SJORKVTESA-N 447.561 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1286820328 JLAMWGMPFPKCRG-VQTJNVASSA-N 430.574 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccc(O)c3)CC2)nnc1C(C)(C)C 1286825734 WHBFHLPKFRRCKT-UHFFFAOYSA-N 433.578 2.209 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1287067414 OUJJAGRPXMFXHK-GOSISDBHSA-N 441.536 2.298 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)s1 1290679183 SDTVXYJHQREWGA-AWEZNQCLSA-N 436.545 2.276 30 10 IEEE C[C@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1291052593 VVJNYJXZNZALPC-DLBZAZTESA-N 446.577 2.293 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 1292305312 VKCYKZLDTSKGRL-YRYLYKBFSA-N 447.507 2.288 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1293099714 AYNSAMJRPLQJCB-YTTGMZPUSA-N 449.584 2.361 30 10 IEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1299403706 UXGXGKNMDRIMDL-UHFFFAOYSA-N 449.458 2.400 30 10 IEEE COc1ccc(COCCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1300232172 NXGVNHBWIOUJON-QUCCMNQESA-N 427.505 2.126 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)CCOC 1300274665 YBZWXBHVFXMIPL-YCRPNKLZSA-N 433.940 2.107 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300413484 VOVFYDOWLHREJW-UHFFFAOYSA-N 443.555 2.411 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300422207 ZVPLJJXUEKLOKJ-MRXNPFEDSA-N 437.470 2.058 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1300493519 VYQSSQZITHREOD-LJQANCHMSA-N 428.558 2.424 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CCC)OC 1300539126 YRXUMEUOOIGBKD-MOPGFXCFSA-N 445.564 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1 1300578308 KRDOUMQZEZAMQE-QGZVFWFLSA-N 432.496 2.164 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC=C)CC1 1300683503 OTOYQOGGFDXVGO-QGZVFWFLSA-N 442.951 2.129 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1300743196 IRXNFLIHHYHVQH-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300776356 HQGNQIIXYKZPRO-OAQYLSRUSA-N 429.521 2.079 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)cnc2OC)c1 1300940045 OYXCNGZLFGGZFZ-UHFFFAOYSA-N 440.319 2.247 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1300991108 PKUDGYILDFPMLL-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300993673 DCUVZRYCZWQUHE-UHFFFAOYSA-N 438.507 2.257 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1301500948 RQCWDQHPRFFAPK-ZWKOTPCHSA-N 441.532 2.443 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301506017 FIAYSVAOVGOSNT-IBGZPJMESA-N 439.560 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H]21 1301593590 QEWKAYXEOQANNC-DLBZAZTESA-N 432.546 2.455 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301615699 TZJFAMGTOIEVJE-GOSISDBHSA-N 427.578 2.223 30 10 IEEE COCCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1302130593 KRGKCBLOIWWKNM-OAQYLSRUSA-N 434.500 2.066 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1302231517 WMRCUBFRDWOOSV-HXUWFJFHSA-N 440.548 2.066 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H](C)C1(F)F 1302878899 IOKLXWADXAFRGJ-IYBDPMFKSA-N 444.486 2.403 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)s1 1303394244 FBGCFSONPAWBBX-WCQYABFASA-N 426.482 2.371 30 10 IEEE C[C@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCO1 1304931063 CBWJHMMVGCKULJ-ZWKOTPCHSA-N 438.532 2.260 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)C1 1312901394 GDBGXXMPKYNWST-GLQYFDAESA-N 438.269 2.166 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3ccc(COc4cccc(F)c4)cc3)C2)c(=O)nc1O 1312921744 UZTWWLLLOVFKQY-UHFFFAOYSA-N 449.442 2.305 30 10 IEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1313998918 FHHQGJPCSUAQJT-UHFFFAOYSA-N 441.536 2.005 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1314549840 ZUEQPVHLTNJVRE-MRXNPFEDSA-N 446.577 2.150 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1CC1 1316204904 BASHXNWZIGJNHS-QGZVFWFLSA-N 425.537 2.395 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1316465457 INJGIDWHEMYRNF-GOSISDBHSA-N 448.618 2.430 30 10 IEEE CN(C)C1CCN(C(=O)Cc2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)CC1 1339224252 JEKOWFIPYWEUOC-UHFFFAOYSA-N 438.532 2.044 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1358871762 KBKMULYAQSCAQC-JENIJYKNSA-N 436.626 2.143 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1358919315 ZODVTJHTKGGTBG-UHFFFAOYSA-N 431.500 2.371 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCOCCS(C)(=O)=O 1359073430 OZMRBLSNTDOTMI-JOCHJYFZSA-N 446.573 2.219 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359099245 LKVNQAIGZVKOOD-XWSJACJDSA-N 438.594 2.167 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359293692 XHZHJOIQRPGUGE-OALUTQOASA-N 445.589 2.136 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](OCC)C1 1359294024 IIPLECUGWJBDLT-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359309941 HYDYZERJUKVTLZ-MOPGFXCFSA-N 425.533 2.358 30 10 IEEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1nc(N)nc(N2CCOCC2)n1 1443640482 HADBQEIOTQWTNC-UHFFFAOYSA-N 447.474 2.457 30 10 IEEE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 1468372123 BLSXADDSIJIEMJ-IBGZPJMESA-N 431.514 2.402 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)nn(-c2ccc(F)cc2)c1N 1471576161 CQSWMRCXIUFWQK-VYPVPOJWSA-N 426.496 2.104 30 10 IEEE Cc1cccc([C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(=O)OC(C)(C)C)c1 1472172629 DLYNIASUNSAHAM-HXUWFJFHSA-N 443.525 2.344 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507564806 XCDDLTHHJCLSHM-VQIMIIECSA-N 430.530 2.217 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC(C)(C)C1 1507609938 AOURDVOLOMWVDD-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)N(C)C 1507618173 HROVAKVREONJMO-UHFFFAOYSA-N 433.578 2.115 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1507631319 NXSWOQASTRPKBI-QGZVFWFLSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1507633949 VSTASKOWMJMCJV-IBGZPJMESA-N 428.558 2.424 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507839267 BLRRBTSSONLKDB-HNNXBMFYSA-N 440.470 2.381 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1507845835 QVHARZRPOZAVDU-OAHLLOKOSA-N 433.459 2.381 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1507967376 FLQABADQKGZVNP-KRWDZBQOSA-N 446.621 2.347 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1508095260 USWAITAIOJIXID-SFHVURJKSA-N 442.539 2.363 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@H](C)C2)cc1 1508095962 AEHCOCMFWBGXPU-IAGOWNOFSA-N 449.577 2.117 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1510105724 BZYNIEXZXGNLEQ-HOTGVXAUSA-N 429.525 2.173 30 10 IEEE CCCN(CC)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1514699517 VSHNURHINATOSE-FQEVSTJZSA-N 438.580 2.107 30 10 IEEE COCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1518977578 BSMAZOPFIIRYLO-QTEQDKRBSA-N 441.532 2.367 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1519386094 VLYWDWZDIUDEFS-PGRDOPGGSA-N 443.573 2.174 30 10 IEEE CC(C)N1CC[C@@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 1528123091 MXUFGKSGGAIJES-WOJBJXKFSA-N 432.532 2.384 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)SC)c1 1539044111 YJXOXNYACQJVPS-PBHICJAKSA-N 426.546 2.037 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539105276 ZHGRTIRMOJGHNH-KRWDZBQOSA-N 428.924 2.235 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1539225105 LUCLHOLTFVMTKJ-LJQANCHMSA-N 443.573 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1539480622 CUJKJXDYLYVRCN-BJLQDIEVSA-N 429.565 2.301 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@H]1C 1540021213 RCGDTOPILKDKHS-MRXNPFEDSA-N 448.593 2.364 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1540035416 BUNHVEFMBABGTL-SFHVURJKSA-N 434.537 2.475 30 10 IEEE C=CCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861548 WJUVQGMFCRFKHV-PQNGQFLHSA-N 446.640 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)c(OC)c2)C1 1540882227 DSAFFJXDGAMLAA-WMZOPIPTSA-N 449.577 2.035 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)C1 1540887149 QRZJDQCWAOGLFF-QGZVFWFLSA-N 439.969 2.319 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCSCC2)CC1 1547734379 DGYIVSYBFCXLAT-UHFFFAOYSA-N 425.606 2.398 30 10 IEEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C 1547838543 DMNGXRAXDXBMNT-WOJBJXKFSA-N 440.548 2.219 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS2)CC1=O 1555584374 FNGPCGBAUPALBP-SFHVURJKSA-N 426.546 2.007 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 1556219727 LWQVVESADIGHEE-UHFFFAOYSA-N 428.489 2.190 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2c(N)noc2c1 1557102138 FKDSECMSXMMDNB-MRXNPFEDSA-N 441.513 2.324 30 10 IEEE COc1cc(C)c([S@](C)=O)cc1OC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1557113002 SDHDPWMJGZOODL-NDEPHWFRSA-N 436.511 2.071 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1CSc2ccccc2O1 1557167896 CBENLBUDRQUQQS-ZBFHGGJFSA-N 431.539 2.285 30 10 IEEE Cc1ccc(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cc1S(=O)(=O)NCC#N 1557410826 MJAWZUYQZRASQW-MRXNPFEDSA-N 433.452 2.417 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)CC2)cs1 1562904671 FGPYDJJZGUXCRO-UHFFFAOYSA-N 448.574 2.236 30 10 IEEE CCS(=O)(=O)CCN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1567276447 RNBIFZJAASFCKX-SFHVURJKSA-N 435.546 2.286 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1567507642 IOHIMVXUHOIQJC-JNCYCUAHSA-N 432.480 2.051 30 10 IEEE CNC(=O)c1cncc(/C=C\C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1583848787 SOACICUBQBKCBG-DAXSKMNVSA-N 441.495 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1587677111 CNTSPUOVLIGYTD-ACTFIFLWSA-N 433.553 2.348 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1588064559 KMZWTAMZKPXZFV-IBGZPJMESA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccsc1)N(C)C 1588089182 GLCDBBWIPDHXPP-DENIHFKCSA-N 427.574 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1COCCO1 1588110103 VDJNIESJPSCYOX-HNNXBMFYSA-N 433.281 2.335 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)c(OC)c1 1588574543 LIIFHECYUIWCEJ-UHFFFAOYSA-N 434.500 2.377 30 10 IEEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C 1589124782 BLDNYVABMOFTDM-OAHLLOKOSA-N 447.565 2.430 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1593932954 SHFJYBHMWAPEMA-UWVAXJGDSA-N 426.945 2.455 30 10 IEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)N(C)C 1594885986 USJDXDYRVZJOIB-UHFFFAOYSA-N 446.346 2.360 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595223442 UPNRKYJICINAAF-MRXNPFEDSA-N 436.607 2.094 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1595500787 FKTCIWLHTVJETF-UHFFFAOYSA-N 442.951 2.492 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)nc1 1596978832 SMTWHCJLACFDQQ-KRWDZBQOSA-N 447.948 2.378 30 10 IEEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1603297501 ADWGXDNMQURLJZ-UYAOXDASSA-N 448.479 2.054 30 10 IEEE CCCN(CC)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1614716015 AFOGKRDSWNLRMY-UHFFFAOYSA-N 446.563 2.060 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1617424192 KIEZSQPQMZFVFA-UHFFFAOYSA-N 428.489 2.149 30 10 IEEE CN(C)[C@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1617651143 AQRHEGRCDDKDHF-KXBFYZLASA-N 433.969 2.160 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)CC1 1620073766 AJOYZWNMAJREGR-HXUWFJFHSA-N 426.561 2.110 30 10 IEEE C=CCN1CC[C@H](N(C)S(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)C1=O 1622074468 HFYDARQZNKZORI-SJORKVTESA-N 427.364 2.355 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)NCc1nn(C)cc1I 1623171518 BTPAZDCZKOUIOS-UHFFFAOYSA-N 428.205 2.498 30 10 IEEE Cc1cccc(CS(=O)(=O)CCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1624812846 AGAYVRDKAPQFFQ-ROUUACIJSA-N 435.546 2.175 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c1 1625605206 JAGQGMQUVOJWMQ-HNNXBMFYSA-N 439.493 2.489 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)C1 1634274920 HUTFJKYOUYFUIT-KRWDZBQOSA-N 438.289 2.176 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCc1nnc(S)o1 1634590771 FDKZCTAUIBVILP-MRXNPFEDSA-N 429.502 2.423 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c1 1635705000 TWFHURPUDRHFRN-QRVBRYPASA-N 432.546 2.275 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(cccc3C(=O)OC)C2)s1 1637315321 GXAWTIKXPUZLQV-UHFFFAOYSA-N 434.539 2.126 30 10 IEEE C#CCN(CC(=O)N1CCOC12CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC(C)(C)C 1637402636 DYXMNUQWSTVNAZ-UHFFFAOYSA-N 437.537 2.443 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 1637534107 QLFRPEBCLCTJNH-QHCPKHFHSA-N 445.537 2.224 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1 1638408693 KTCGAAKZBIQHCD-SFHVURJKSA-N 445.516 2.010 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC)CC[C@H](C)c3ccccc32)cc1 1640672658 KITPXOZIFQXULB-QMHKHESXSA-N 440.521 2.294 30 10 IEEE C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1641405862 ZKXRUPOCYDZCBY-ZHRRBRCNSA-N 446.573 2.498 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1 1642471490 VXVQHMMSXZCADV-NRFANRHFSA-N 448.491 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3ccc(CC#N)cc3)CS(=O)(=O)[C@H]2C1 1643632150 MRZLAMAMJSUKCV-OTWHNJEPSA-N 447.557 2.039 30 10 IEEE CCc1cc(C(=O)OC)ccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1645793739 DTSRRAKKISSBED-CYBMUJFWSA-N 429.498 2.491 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)nn1 1655733375 YHPJIOZDASNHCX-UHFFFAOYSA-N 443.323 2.190 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2CCc3c(C#N)cccc32)sc(C(=O)NC)c1C 1659080189 FIMNHBQXDOATDP-UHFFFAOYSA-N 426.498 2.466 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 1674337629 OAZSFPAAQGKWCQ-PMERELPUSA-N 439.463 2.249 30 10 IEEE N#Cc1nc(NC(=O)N2CCC(C(=O)Nc3nncs3)CC2)ccc1Br 1679661178 FKSKJNVISLJHMN-UHFFFAOYSA-N 436.295 2.450 30 10 IEEE C=C[C@H](C)ONC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1686939130 FFMICOAGKRLZQU-JSGCOSHPSA-N 432.340 2.408 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CC(=O)N(CCOC)C1 1689861416 VDLVJMKFCYJIFR-MOPGFXCFSA-N 434.544 2.234 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1689923562 WRCANOPIPWUXMN-GOSISDBHSA-N 445.589 2.475 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1689930756 YXXCHUWXLJQDQK-MJGOQNOKSA-N 435.594 2.026 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCO[C@H]2CCOC2)CC1 1690135585 ZLAPYIULROZGPS-PWRODBHTSA-N 445.608 2.148 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690287905 ZNTZAUGTHUPDFR-IBGZPJMESA-N 427.553 2.476 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690673878 HZWKLMURDIUXTC-LJQANCHMSA-N 431.581 2.335 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1690676178 RWQZJYQPQMEIKD-CVEARBPZSA-N 426.546 2.361 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCN(C)C2)C1 1690711804 IOLZGXMZEUOSOC-QPPBQGQZSA-N 441.576 2.322 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1693571414 ZMIMYAUIYBEXGC-IAGOWNOFSA-N 446.577 2.150 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@H]1C 1695810538 PMSBIVGLTLXRHG-MOPGFXCFSA-N 425.581 2.314 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H]1C 1695810541 PMSBIVGLTLXRHG-OALUTQOASA-N 425.581 2.314 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1696823646 SAXPCUASSPEFBD-UHFFFAOYSA-N 435.532 2.324 30 10 IEEE COc1ccc(C[C@H](C)CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1697393813 ZAERGSISZGBYPG-YWBAYFEHSA-N 438.532 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(CCOC)c1 1705479070 FABJUKPHVMKSBP-ZDUSSCGKSA-N 432.326 2.385 30 10 IEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1705516732 HYWVGPWHSXZYSW-MSOLQXFVSA-N 444.536 2.119 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566382 NGKBZBVZBUNUOI-RTBURBONSA-N 432.521 2.334 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567167 VFKUTYINSOFRJE-HZPDHXFCSA-N 433.603 2.432 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2CCOCC2)CC1 1705642869 KAXRCLUGUIOZQZ-UHFFFAOYSA-N 439.560 2.438 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2)CC1 1705652715 KTUKYXOPHZPJGR-UHFFFAOYSA-N 426.590 2.499 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705659673 CGVSPKSELBUPAF-QGZVFWFLSA-N 430.578 2.069 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1705705085 CNHGTAUMWNYZEH-TZIWHRDSSA-N 430.574 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705706501 VWYOCWUIYIYLLG-MOXWOTFGSA-N 430.597 2.301 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705709756 SBOJUCBGODKIBU-JQVVWYNYSA-N 433.597 2.485 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)cc(OC)c2)CC1 1705781238 UBQRTPJLHRVIDG-CQSZACIVSA-N 437.541 2.487 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705907379 KNGAMCWFKMLNKK-PKOBYXMFSA-N 427.549 2.378 30 10 IEEE Cc1cc(CN(C)c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)no1 1707290406 AUVRVFRVYQJUCV-QZQOTICOSA-N 439.520 2.470 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1711338249 AQKKLSJMMAWTCG-SFHVURJKSA-N 434.504 2.103 30 10 IEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1712713613 FIFXZGJJNDINHU-IEBWSBKVSA-N 444.561 2.047 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)C1 1712875298 BPPMLTQXMXPWKQ-QVKFZJNVSA-N 430.459 2.183 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1722362261 ADEUMSFAGQQELL-CQSZACIVSA-N 438.351 2.072 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1722366533 RLSRCEHXLWOTAF-LJQANCHMSA-N 445.589 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)Cc1ccccc1 1722380354 KFJAHKDARWOKMK-UHFFFAOYSA-N 433.537 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@@H]1CO 1722392925 WQQDGDUVDZAFTD-OAQYLSRUSA-N 449.555 2.374 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC1CCCCC1 1722403146 MPEILTZGCDEUDO-UGKGYDQZSA-N 441.576 2.304 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C(C)C)cs2)CC1 1722440409 FZQWIHJEZYUNNB-PXNSSMCTSA-N 444.605 2.386 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722463014 VUKMEHWEVBJJJS-CVEARBPZSA-N 433.603 2.497 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722706204 NFMSGBRIYNLXAU-ZWKOTPCHSA-N 441.532 2.316 30 10 IEEE CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1723111252 MJKWOHGAAHNACP-QZTJIDSGSA-N 445.955 2.079 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCn2ccnn2)CCOC1 1723676357 IRXNMEIKPPGRMP-NRFANRHFSA-N 428.541 2.131 30 10 IEEE CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1723926808 CZYYPMMQZDVBGT-SZMVWBNQSA-N 438.598 2.079 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1728260328 FLDWYJWNXIGUCE-UHFFFAOYSA-N 448.531 2.076 30 10 IEEE CN(C)CCOc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1729337916 GUMHXNHDMWAKJY-AVRDEDQJSA-N 428.512 2.213 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc[nH]2)nnc1N1CC=C(C(F)(F)F)CC1 1731218697 LWTZTYQTCTVEHW-VLGSPTGOSA-N 447.421 2.498 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1740534367 HEHQJDIEVZKQFJ-MSOLQXFVSA-N 442.539 2.179 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740565720 ZZTJANXHJTYPQV-NHCUHLMSSA-N 443.640 2.215 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCn1cccn1 1740571578 SASRVLNQSXKVDY-UHFFFAOYSA-N 440.577 2.375 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1740573655 GBNCTJCJTKHDGE-RBUKOAKNSA-N 437.610 2.287 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(Cl)c2c(c1)OCCO2 1740599205 TZWCUBKRNLAXRH-UHFFFAOYSA-N 438.875 2.468 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)Cc1ccccc1 1740612696 YDEAWVCDESCMSX-UHFFFAOYSA-N 427.512 2.245 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1740671737 NMMGPUKZYHETNW-MJGOQNOKSA-N 427.574 2.091 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1740689234 SKQONVWNZUJWTL-HXUWFJFHSA-N 436.560 2.045 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCOc3ccccc32)CC1 1740690917 QCNHAMLEJQIKFQ-WOJBJXKFSA-N 439.560 2.324 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCn1cc([C@@H]2CCOC2)cn1 1740725912 RCWOZZPFEUCNIM-YCRNBWNJSA-N 442.564 2.395 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCOC2)C1 1740751767 OLBXNLDEORXSLC-HFJQGTKSSA-N 447.580 2.173 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(C)C)CC1 1740961290 SFWSPTYGAZYIBC-UHFFFAOYSA-N 432.519 2.370 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1742905983 FMTCBSJIXBTNBL-CYBMUJFWSA-N 426.431 2.124 30 10 IEEE CC[C@H](C)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCN/C(O)=C1\N=CC=CC1=O 1743554288 CRALCPQUPIPBFJ-WDWGUKLMSA-N 440.552 2.305 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1748831339 LIQYOFRFLHMKCE-XOBRGWDASA-N 447.308 2.459 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 1748891579 ARQLAKLSNIZROV-HXUWFJFHSA-N 433.512 2.299 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCCC)CC1 1748977535 IKLRBXZOUFVSTB-KRWDZBQOSA-N 444.967 2.353 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1749106307 BDOYZWSAJXGUCM-GFCCVEGCSA-N 425.356 2.244 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749131810 WAFWOBIFKBGCRQ-LMMKCTJWSA-N 438.594 2.167 30 10 IEEE C=C(C)Cn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1749207449 KSHLDGNYBAVENS-HXUWFJFHSA-N 433.582 2.383 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 1749331334 YGHHVWGTLVOUOR-CVDCTZTESA-N 433.597 2.301 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1CCN(C(=O)OC)CC1 1749600945 SUKWTWNTCQRUNJ-UHFFFAOYSA-N 428.537 2.381 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC=CCO1 1749806066 GLVFPGBJLYRPHK-PMACEKPBSA-N 436.516 2.099 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2COCCO2)CCO1 1750387648 XZKSCABDEWWTPT-IAGOWNOFSA-N 448.321 2.242 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2([S@](C)=O)CC2)CCOC1 1751018322 MLYDUEIVNMRCIE-DFXYEROKSA-N 435.594 2.360 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](CC)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1760181449 VSIONNPYLKUGQE-YADHBBJMSA-N 441.601 2.050 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC(F)(F)CO1 1760193488 GRKUXMWGCGOYOC-QGZVFWFLSA-N 447.873 2.359 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](CC)Oc2ccccc2F)CC1 1760257771 IYZYIKNQKIMONM-IBGZPJMESA-N 437.523 2.431 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2([S@](C)=O)CCC2)CC1 1760263139 PGBVADIEXOYABI-PMERELPUSA-N 425.602 2.120 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(O)(CCC)CCC)CC1 1760270490 YFXVBKKQTWMLIC-IBGZPJMESA-N 431.581 2.079 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1760288675 IGACXQDDTBNMEK-CBGDNZLLSA-N 431.562 2.348 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760426481 UCHHYQSMADHJPC-UHFFFAOYSA-N 433.582 2.342 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760452995 UJXMCLASOQLCCG-AZUAARDMSA-N 425.533 2.473 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1760495415 NLYVVMONYHKQII-HXUWFJFHSA-N 439.564 2.436 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1761543295 SWBQVZYMVPFSCC-JOCHJYFZSA-N 441.536 2.298 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1761997456 BEFTVQKBMFFYIY-ZFWWWQNUSA-N 436.358 2.495 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1764457564 ZTTMBOKQAKSZJR-RTBURBONSA-N 437.596 2.482 30 10 IEEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)c1 1768469681 QHCCPMRKYJWLPC-HXUWFJFHSA-N 438.532 2.385 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCC(C)C)CCO1 1769243718 WADQZKZMTCBWJS-GOSISDBHSA-N 428.562 2.157 30 10 IEEE COCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1769715868 RPFYAZSSDCTNMM-CQSZACIVSA-N 436.310 2.481 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)c1 1770735311 IBXMKZSJJJWMLD-FQEVSTJZSA-N 433.516 2.338 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1771491178 YFEHHYDEADMSNN-AYOQOUSVSA-N 429.546 2.255 30 10 IEEE COc1ccc2c(=O)n(CC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc2c1 1848663254 LMGHBAPQHKVQAK-UHFFFAOYSA-N 438.509 2.378 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)CCn3nc(-c4cccnc4)ccc3=O)CC2)c1 1849387804 OWWFYOBKHMVIGF-UHFFFAOYSA-N 444.495 2.280 30 10 IEEE C=CCN(C(=O)c1cnn(-c2ccc(-c3nc(CCC)no3)cn2)c1C)[C@H]1CCN(C)C1=O 1850409487 BDCHELUCVQTKKQ-SFHVURJKSA-N 449.515 2.437 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c(C#N)c(C)nn1-c1ccccc1 1852202656 JNBBJYGWECLGRS-UHFFFAOYSA-N 433.472 2.078 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(Sc4ccccc4)CC3)C2=O)CC1=O 1854206148 CFHPJHSPSVVRAA-FXAWDEMLSA-N 427.570 2.405 30 10 IEEE C[C@H]1CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCS1(=O)=O 1855852561 GUVRYJFDGFATTO-KBXCAEBGSA-N 437.949 2.046 30 10 IEEE CCN(CC)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858987529 BQCJEPCSFMLHBR-UHFFFAOYSA-N 428.514 2.271 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862564631 DXXYDGOCOWNQMH-LJQANCHMSA-N 441.484 2.132 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)c1 1862627007 IHBGYKVBDDTVNO-HXUWFJFHSA-N 438.436 2.138 30 10 IEEE C=CCOc1cn(CCN2CCOCC2)c(CN(CC)CCc2ccncc2)cc1=O 1870386194 DTAZXYDULHMBEU-UHFFFAOYSA-N 426.561 2.205 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1C[C@@H](C)O 1870393918 ZQPSZYXNDRLPLK-LJQANCHMSA-N 425.529 2.098 30 10 IEEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCC3(CC2)OCCO3)nc1C(F)(F)F 1872800841 WUMGWOQDNHQAIJ-LLVKDONJSA-N 447.435 2.354 30 10 IEEE CN(C)CC#CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1890935400 RGJJFQSUTDYHDZ-FQEVSTJZSA-N 437.993 2.297 30 10 IEEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891476467 JGQLTDWRLHGYHC-KRWDZBQOSA-N 431.452 2.191 30 10 IEEE CC[C@@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900468213 WVJGHFDOMPNYEN-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993453476 VJYWIVPHEBNYLH-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2062947456 ZJDRWSYOGWTRCF-HIFRSBDPSA-N 432.330 2.408 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224126783 BJEUDGLWMVKBAT-SJORKVTESA-N 433.358 2.309 30 10 IEEE Cc1cnc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232268096 JIEJZKMRJHLFTI-FUHWJXTLSA-N 447.385 2.401 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255674305 XKDDUVALGHARNJ-RCDICMHDSA-N 429.326 2.120 30 10 IEEE CCN(CCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2255843714 KQFZZEXXKCBXSI-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256020329 BKMVHBBRWHLONP-ROUUACIJSA-N 433.358 2.154 30 10 IEEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256629196 QZWSYXYLFSSNEZ-CQSZACIVSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259927155 UWDKJMHLMURSEI-YEJXKQKISA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267091170 PNOOVFQMBWYEAC-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE Cn1cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267177426 NICRFDSVCWDQEW-QFIPXVFZSA-N 448.373 2.143 30 10 IEEE Cn1ncc(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267514144 VCFCMYSVQGLGFK-GASCZTMLSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267525014 YKQVHJBCROVURJ-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267818389 FCDKAZAQHSQAGB-RBUKOAKNSA-N 447.385 2.496 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881558 IMUKFYFWQPCPGJ-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268645695 VQHIUBFSUIITRQ-QAPCUYQASA-N 448.369 2.218 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268672974 WVOOPSGGSZCSRL-SFHVURJKSA-N 446.353 2.368 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2CC[C@@H]1[C@@H]2NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298376602 FLGCKTVCXNNNFL-BZUAXINKSA-N 442.387 2.491 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1C 2337189607 CZFOGFOOQKVKJZ-VQIMIIECSA-N 438.381 2.278 30 10 IEEE COC(=O)c1ccc(C(=O)/N=C(/NCCN2CCOCC2)Nc2cccc(F)c2)cc1 46134782 WDNHFHDYEKKWHU-UHFFFAOYSA-N 428.464 2.142 30 10 IEEE Cc1cccc([N+](=O)[O-])c1N/N=C1\C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1 59461702 BUAXDYZMWARZCL-HKWRFOASSA-N 427.402 2.069 30 10 IEEE CCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 254491517 VJQSNNADQQSGTO-UHFFFAOYSA-N 449.309 2.061 30 10 IEEE C=CCn1c(S[C@H](C)[C@H](C)O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 445589267 RGAWHUTUFKYEIZ-LSDHHAIUSA-N 438.575 2.013 30 10 IEEE N#Cc1ccc(CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)C2CC2)cc1 460898091 QIXIJDXGAMNGLL-QUCCMNQESA-N 441.557 2.400 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 461279499 WAFVAFFVCNHMHS-MRXNPFEDSA-N 442.526 2.301 30 10 IEEE CCOCCN(Cc1ccc(C(=O)OC)o1)S(=O)(=O)c1c(F)cc(C#N)cc1F 467137451 RZJMWTLCZKYNHF-UHFFFAOYSA-N 428.413 2.443 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O 490932912 JSFDZLACCFMZBD-CQSZACIVSA-N 429.484 2.065 30 10 IEEE N#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)C1CC1 505939817 YUKNQPBOUXQHCG-GFCCVEGCSA-N 432.365 2.330 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 509197651 RDQTXJNUGZRCGJ-KRWDZBQOSA-N 427.549 2.199 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 523257649 DRTYRZFRYUVLCT-QAPCUYQASA-N 426.538 2.216 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 533227304 BJQOVANURYTXLK-QZTJIDSGSA-N 430.574 2.448 30 10 IEEE CN(CCCOc1cccc(S(C)(=O)=O)c1)CCS(=O)(=O)c1cccc(C#N)c1 533606546 DBNZBKDAEGUQDI-UHFFFAOYSA-N 436.555 2.136 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccn(Cc4ccccc4)n3)C2=O)cc1 552434639 TTZYWCSZRSGCLK-NRFANRHFSA-N 442.479 2.324 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1-c1ccccc1C 610004061 UZMVFPOSYTXUTE-UHFFFAOYSA-N 445.544 2.170 30 10 IEEE CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 619209670 VYZXRGCOSVOGSV-UHFFFAOYSA-N 427.530 2.449 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 728876556 COXBFEVZYADUNC-UHFFFAOYSA-N 438.509 2.057 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)[C@@H]1CCS(=O)(=O)C1 729331985 SAEWMHJKYUWFKU-LJQANCHMSA-N 446.550 2.058 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccs2)cn1 730143730 DFBFDOAOPQTMBC-MRXNPFEDSA-N 447.586 2.351 30 10 IEEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccccc2)C1=O 730144024 GUMKNXBMUSHOEO-UAPGPWSHSA-N 439.585 2.192 30 10 IEEE CN1CCN(C(=O)CC2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)CC2)CC1 731846713 MHYCKPZJDMXUNM-HXUWFJFHSA-N 446.555 2.100 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(Cl)c1 733201381 SKESJUVGQCDTML-QGZVFWFLSA-N 436.965 2.371 30 10 IEEE C=CC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccncc1 749725128 KMKGCZVPVKDCOB-ICSRJNTNSA-N 443.525 2.406 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)c1 768758803 UVKLUTZMPBMSJE-SZLGDNHQSA-N 442.488 2.132 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)c1ccccc1 769275623 OGXRLVFFPIWTER-MJGOQNOKSA-N 429.542 2.032 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)[C@@H]1[C@@H]3CCCO[C@@H]31)CCCC2 780123521 URTMWFBUIBAJBI-XCODNNPBSA-N 427.501 2.324 30 10 IEEE C=C(CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O)C(=O)OCC 788810904 IEBBHZIWDPLGIC-MRXNPFEDSA-N 428.226 2.178 30 10 IEEE COc1ccc(C(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c2ccc(OC)cc2)cc1 798740744 BGDAAHSHJIKFFX-OAHLLOKOSA-N 449.467 2.177 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnn(C)n2)c1 807930684 WREZWQLHYCYRGZ-INIZCTEOSA-N 436.501 2.074 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCN(Cc3ccc(C)cc3)CC2)n1C[C@@H]1CCOC1 812391267 WBRZFGSNEISROP-DEOSSOPVSA-N 446.599 2.014 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)c1 814319721 OKEUUWKYQCFWCA-CILNGMPWSA-N 442.545 2.169 30 10 IEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN(c3ccccc3C#N)CC2)C1 816483762 DEMCDVKFCSQCRU-LJQANCHMSA-N 441.576 2.444 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 916179735 USNIOEPJIVNGMI-UHFFFAOYSA-N 428.466 2.329 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1OC 1084332320 BJJLMOKSCAUBCG-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1 1084565985 BYJXFWXDSHOXGP-UHFFFAOYSA-N 445.530 2.019 30 10 IEEE C#CCN(C(=O)c1ccc(-n2cnnn2)cn1)[C@@H]1CCOc2ccc(Br)cc21 1126150790 HUGGGUWDFVRTSX-QGZVFWFLSA-N 439.273 2.419 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1127513043 WMQQLYWBHMKFIX-UHFFFAOYSA-N 431.880 2.431 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)[C@]3(C#N)CCCOC3)c2)nn1 1131865040 LDKCYYQAGXFYRW-QFIPXVFZSA-N 440.504 2.229 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1132192890 SFZPSGFGJOLEGY-YOEHRIQHSA-N 446.928 2.417 30 10 IEEE O=C1C=COC2(CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)CC2)C1 1134522287 NOXZILNIUWFZEI-UHFFFAOYSA-N 436.505 2.091 30 10 IEEE C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1135006047 NSGLROVSJKNIND-AWEZNQCLSA-N 429.502 2.100 30 10 IEEE C#CCN(C(=O)c1cnn2c(=O)cc[nH]c12)[C@H]1CCOc2ccc(Br)cc21 1136805095 SQYIFMFAQMDQLO-HNNXBMFYSA-N 427.258 2.384 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CC(N)=O)CCCCC1 1148828426 GQRFOSDLYYOBLY-QGZVFWFLSA-N 448.589 2.226 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1169291481 IURUSGYCUIHJKM-INIZCTEOSA-N 427.542 2.293 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OCC 1176173404 QCFCOPZOKHDIOR-ZDUSSCGKSA-N 433.324 2.033 30 10 IEEE N#Cc1ccc(N2CC[C@@H](N3CCN([C@H](C(N)=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 1192927910 DGVUZKZTHKZJSB-RTWAWAEBSA-N 437.931 2.161 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1 1230917203 BVTRARZFCDQDQM-UHFFFAOYSA-N 442.541 2.216 30 10 IEEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)c1ccc(C#N)cc1 1264765685 HLDVZLPPJZLRSE-UHFFFAOYSA-N 437.525 2.245 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](COC)OC)c1 1286311554 NPALIBUTWDGGQB-WOJBJXKFSA-N 441.532 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)N(C)C 1286404469 RCJXRSAQOUNBPQ-UHFFFAOYSA-N 432.297 2.398 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]c2ccccc12 1286408280 BLKJMGIRTDTTRQ-LJQANCHMSA-N 435.553 2.367 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(Cl)cc1 1286409406 LEFGASDGYNODAE-PKOBYXMFSA-N 446.960 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286412783 DEVZOTAIBSAILH-BJKOFHAPSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(N)=O)cc1 1286433062 JLHWKWNDNWKGPW-ICSRJNTNSA-N 436.516 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H](O)C1 1286434372 YFXLGELSGQRBRY-QZTJIDSGSA-N 425.558 2.284 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286484343 MIUGXQSOQWWUSY-VQTJNVASSA-N 439.560 2.172 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCCS(C)(=O)=O 1286741052 BHVHHHNWYFSBSW-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(Cl)cc1 1288825593 IAGQCJWSXJTZLM-FZKQIMNGSA-N 440.932 2.226 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1296516950 CWJYPCPNXXPUNT-BTYIYWSLSA-N 427.509 2.070 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCO[C@H]1C(C)C 1297287653 HAWBOFRYDXAGSW-CTNGQTDRSA-N 439.564 2.469 30 10 IEEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1297452147 HUCPRDMDAGEKAJ-UHFFFAOYSA-N 448.531 2.220 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1298133057 KRFHHQXKSVSJCY-QZTJIDSGSA-N 429.546 2.113 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cc(C)nn1C 1300579503 SJXUDDSVJHJXDX-UHFFFAOYSA-N 426.484 2.147 30 10 IEEE COC[C@@H](C)Cn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300960933 AFDCAGYRXHZGMS-KRWDZBQOSA-N 434.548 2.468 30 10 IEEE COC[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1300974119 DRVNJOKCOYSQEE-GVDBMIGSSA-N 436.557 2.465 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301259735 NHQQMRPRQSWOJX-MOPGFXCFSA-N 425.533 2.185 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1CF 1301806675 PBNLQHTXQIUKGT-WMLDXEAASA-N 425.468 2.089 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CC(F)(F)F)c1 1302987944 UQTWDYNTVIIRJD-QGZVFWFLSA-N 425.436 2.394 30 10 IEEE C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1308052276 PEQQBKQPUCARNK-HXOBKFHXSA-N 428.533 2.275 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@H](OCCOC)C3)n2Cc2ccc(C#N)o2)CCOC1 1314132566 XQJADLLCAMOZQE-PGRDOPGGSA-N 445.520 2.075 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 1316147857 GEVKQBCTTXDPMA-WMZOPIPTSA-N 438.532 2.431 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1316466410 RMTHDFBYPSCBDK-KRWDZBQOSA-N 448.618 2.288 30 10 IEEE N#Cc1cccc(S(=O)(=O)NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)c1 1341907846 ANOAJCSOIBXSPW-UHFFFAOYSA-N 436.474 2.413 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1c(F)ccc(Br)c1F 1354427499 HQPVDIXBMQIZOW-UHFFFAOYSA-N 426.221 2.340 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccn(CCC(F)(F)F)n2)c1 1355984553 VIJLYUHFGWJKHS-UHFFFAOYSA-N 434.418 2.322 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358937678 DWOBRJAHSLKZKJ-KRWDZBQOSA-N 429.484 2.048 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 1358967756 RERYZYIKVGVQIT-LJQANCHMSA-N 439.541 2.038 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359052430 FRCUWOXPOGPGLM-UHFFFAOYSA-N 441.948 2.016 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359085252 HKBIGTDNNYOWBD-HXUWFJFHSA-N 447.381 2.474 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1359135536 HEEHXFLBTCIFBH-UHFFFAOYSA-N 441.532 2.401 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359299869 OSXAMLJMMZCIRB-FQEVSTJZSA-N 438.576 2.418 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3cc(F)ccc3C2)n1Cc1ccc(C#N)o1 1360690083 NHMDSEAHKCVLJR-CYBMUJFWSA-N 444.492 2.103 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1 1454599140 GSRSWXXLJVWNOJ-UHFFFAOYSA-N 440.375 2.356 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)c(=O)c1C#N 1457780171 OSTKRLWMENPETO-UKRRQHHQSA-N 430.258 2.474 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1462457286 HWOSYBCQXLLTLP-RDGATRHJSA-N 428.492 2.271 30 10 IEEE N#Cc1cccnc1NCc1cccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 1464257688 AAIBRPFUARAYTH-UHFFFAOYSA-N 431.500 2.080 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc3oc(=O)n(C)c3c2)cc1 1465259218 PWCMREDWXVGRMV-UHFFFAOYSA-N 430.486 2.260 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC3CCN(C4CCOCC4)CC3)ccc2c1=O 1469990676 FHQQDZXCXWQMJW-UHFFFAOYSA-N 428.558 2.244 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1496187397 GHVDTMBBDPDMII-FFZOFVMBSA-N 426.521 2.021 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H]1C 1502264119 VFWVPFDAUVFRTG-DBXWQHBBSA-N 440.548 2.063 30 10 IEEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1504822022 ZJCNLQZROYFTQD-MRXNPFEDSA-N 444.561 2.090 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(N(C)C)CCOCC1 1507527784 RIBRWFHQTDDKPU-QGZVFWFLSA-N 425.533 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccco1)N1CCCC1 1507659197 MYYWQDPMCWKKRB-HXUWFJFHSA-N 434.544 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CCC)CC2)CC1 1507736961 VRUNPGFQJMBEBW-DEOSSOPVSA-N 443.592 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1507764386 LSPXSCHRQQCTSU-DYESRHJHSA-N 436.626 2.145 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCCOC)C1 1507774382 DATWCHXZBNJWCT-HNNXBMFYSA-N 442.358 2.055 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 1508071770 DOHODUCFPOLJKV-LJQANCHMSA-N 440.548 2.401 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1508088165 FLIBPIDDOCRPSH-UHFFFAOYSA-N 428.581 2.467 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1508122927 LCSRCAWOHFTOJL-BBWFWOEESA-N 448.568 2.171 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOC(C)(C)C1 1508145003 VWOUGKBIBQYBHR-UHFFFAOYSA-N 434.562 2.094 30 10 IEEE Cc1ccccc1-c1nnc(N(C)C[C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511243886 LJOZKNROZQNSON-SLNYWTKHSA-N 436.516 2.253 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513087143 BSACZIWFUQUOOE-MDXMFTCHSA-N 428.537 2.037 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514271189 RVVVQXNHEPIXJI-WIYYLYMNSA-N 429.594 2.362 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2c3c(nn2C)CCSC3)cc1 1516310358 VNDXPYVJGNPPNV-XLNRJJMWSA-N 433.559 2.275 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1518847041 SDMIMZOOVJBQSL-QBEKEKFNSA-N 428.537 2.010 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](Cc3ccc(F)cc3C)C(=O)NC)cc2C1=O 1529779391 LEUCNVQTMPDMOI-QGZVFWFLSA-N 437.471 2.251 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccnc2OC)CC1 1539438009 KXEVCHRUMNMUHY-UHFFFAOYSA-N 433.472 2.060 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(F)cc2C)CC1 1539463204 XEEGTHWNZLKWJT-UNMCSNQZSA-N 441.551 2.448 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCCOC1 1539526072 JCKOWLDFYMZQIF-INIZCTEOSA-N 433.603 2.499 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1539656134 UKTAURVIRDLVRG-HRAATJIYSA-N 434.562 2.291 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539916885 PKNWVZGIOOSAMU-FUHWJXTLSA-N 448.593 2.094 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1540863951 KJHBYCXWBIGORK-DEOSSOPVSA-N 447.543 2.066 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1540866688 WURIWXBDBIYCSP-OAHLLOKOSA-N 429.521 2.268 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H]21 1540880008 UQWPDSNJOXUGSL-JZXOWHBKSA-N 431.562 2.490 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1541136894 DBKKMLPEOHJIHA-MOPGFXCFSA-N 449.559 2.226 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c1 1542628998 CKPHKGSQHHUWPU-UHFFFAOYSA-N 435.521 2.424 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C 1547709845 AQIDYMUZUHCPIT-IEBWSBKVSA-N 442.589 2.172 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1552605549 ACERETLFGNEJGB-QZTJIDSGSA-N 429.546 2.320 30 10 IEEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1552876200 SEGOCZIXYSHPEO-UHFFFAOYSA-N 448.575 2.440 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1554686468 UZZJYRGOTADUIJ-OAQYLSRUSA-N 446.577 2.151 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1555992303 NAQWEQXOQXCYJD-FQEVSTJZSA-N 447.518 2.487 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCC1 1568507714 HBFVJVLWUGJEQI-OALUTQOASA-N 426.517 2.469 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1583966209 HJFZZVTWWVFPKP-PZJWPPBQSA-N 435.446 2.259 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1588040793 QRTGSWCJIOXHIH-HKUYNNGSSA-N 446.598 2.476 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1588262929 MVWPGTVBKYOSTJ-UHFFFAOYSA-N 427.509 2.300 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1589133868 AMVCJOYYDSNSBI-HXUWFJFHSA-N 443.621 2.169 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCC)CC1 1589528674 HVNKAYJXLYWAGH-UYAOXDASSA-N 439.564 2.459 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595878355 NWVAOYAWAPSTHW-QGZVFWFLSA-N 447.634 2.236 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1C 1596979041 VLBIGBRFSMKAPV-LJQANCHMSA-N 441.557 2.294 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1617215500 ZVIBJHMORBZMEE-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)OC)C[C@@H]3[C@@H]3CCCO3)cc2C1=O 1617305864 IERGGOBIVOPKRN-IPELMVKDSA-N 426.469 2.041 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1617331879 DNLBQRKVXUCYAT-INIZCTEOSA-N 447.561 2.167 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1619990027 MOTDQZJVZNELJV-YCRPNKLZSA-N 448.474 2.013 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2cccc3c2OC(F)(F)O3)c1 1633234867 AOMUUFYHVXFVRW-UHFFFAOYSA-N 426.372 2.417 30 10 IEEE Cc1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc(C(N)=O)c1 1635990138 DIWFPRFSNIQPTB-KRWDZBQOSA-N 428.514 2.186 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)s1 1640483607 QIIHRWFILMMYNZ-HNNXBMFYSA-N 426.482 2.061 30 10 IEEE CC(C)N(C(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(Nc2ccccc2)cc1 1641282734 SNMGHOWLRPGHGC-UHFFFAOYSA-N 447.495 2.059 30 10 IEEE COc1ccc(NC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)cc1C#N 1643054572 UBTJBEQZGIMSOS-UHFFFAOYSA-N 430.530 2.358 30 10 IEEE CC(C)CNC1(CO)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1643124186 OSMRRARCWHQCHT-UHFFFAOYSA-N 425.495 2.246 30 10 IEEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1653545175 XGIPUUHQYCKWBK-DFSJCDEESA-N 436.599 2.387 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1=O 1656138250 UUUNBWGSYYDTHY-UHFFFAOYSA-N 448.523 2.451 30 10 IEEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C(=O)OC 1660612806 XQTFORQLMRTTFB-APHBMKBZSA-N 433.530 2.110 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)C1CCOCC1 1665156099 JNDLDQDOOVDDOS-CYBMUJFWSA-N 447.307 2.381 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](c3ccncc3)C3(CO)CCC3)C2=O)cc1 1672353975 URWOYZPKLOIWIN-RTWAWAEBSA-N 433.512 2.257 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)C1 1681226600 IODKJGQLNUUJMD-OKZBNKHCSA-N 436.553 2.002 30 10 IEEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc(-c2ccc(Cl)cc2)no1 1685486973 UFGNRXOUMYBUIB-RRUGBERISA-N 435.893 2.031 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)C2)nc1 1685867405 MZIMSIRISGNUAG-PMACEKPBSA-N 433.516 2.125 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)[C@H](C#N)C1 1686056341 WFEUAOZYPMMAMP-YZEMWESSSA-N 449.552 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1689998097 BJVGRYABKRKZQO-SFHVURJKSA-N 434.544 2.066 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCc1nccs1 1690100978 KCKRXBMWMREJLB-UHFFFAOYSA-N 428.518 2.181 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCC(F)(F)CC1 1690104474 XRTYXPADKDGCNA-MRXNPFEDSA-N 430.521 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@](C)(O)C2CC2)CC1 1690140007 IGMDKGDQSWKFAG-HSZRJFAPSA-N 425.508 2.211 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690227691 FFZHTGIVZPVNGI-DAYGRLMNSA-N 427.343 2.465 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690305689 FTXHDDDQYOEUHO-INIZCTEOSA-N 443.504 2.196 30 10 IEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1690538892 REZGGCFCMBZXEJ-HSZRJFAPSA-N 433.597 2.320 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1690621847 BFIQMBXVDYAMKR-FQEVSTJZSA-N 425.533 2.493 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CCCO2)C1 1691285123 WQUBQLTXZRMQPY-DVSDUFGPSA-N 446.552 2.347 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1694752980 AQBHQWNMBKJKGJ-PKOBYXMFSA-N 429.546 2.115 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696740658 ALCVYXPAZGLWLT-XCJAOTHZSA-N 440.548 2.491 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1697996222 ILBBMALYYDBNCZ-JOCHJYFZSA-N 437.592 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705498622 YSVXVXPWPXDXMM-KRWDZBQOSA-N 438.557 2.020 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705539780 BXIYLJGIIWQDGV-RXVVDRJESA-N 429.565 2.397 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1705705083 CNHGTAUMWNYZEH-FPOVZHCZSA-N 430.574 2.279 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1705844123 WLVTWNVLPUJINJ-INIZCTEOSA-N 443.932 2.074 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1705899950 LPUZHXOSNRNRKD-DLBZAZTESA-N 427.553 2.097 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cl)=C(Cl)C1 1705908687 GVLRTRSBOHRCDR-LRDDRELGSA-N 430.336 2.204 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1706249783 QJVBEWFZDBWOQD-QHCPKHFHSA-N 434.548 2.284 30 10 IEEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1711007006 FATBITCIJJNHJS-HSZRJFAPSA-N 430.516 2.028 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)CCO1 1712302784 AMPQUYRGWQAJGU-JBACZVJFSA-N 441.532 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCSCC1 1722285668 YEDXRXSGZBGYJD-INIZCTEOSA-N 447.008 2.368 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1722294250 QQCKICODLTXFRH-WNSKOXEYSA-N 432.484 2.151 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2=O)cc1 1722300457 CCLFPYBYGLEPAX-GOSISDBHSA-N 434.544 2.029 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1722364040 WLOCXRACKPXGJI-MRXNPFEDSA-N 435.347 2.480 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722371799 LQTFJQQCKXMGSF-QZTJIDSGSA-N 448.614 2.278 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722400492 RAGXZPLADZGGLP-GOSISDBHSA-N 443.548 2.276 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC=CCO2)CC1 1722432548 AYHPFJHYZGPADY-MRXNPFEDSA-N 431.338 2.136 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1722468003 FKEMYXHJPUDARI-VGOFRKELSA-N 427.553 2.360 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCS(=O)(=O)CC 1722509330 MQQKQKFGNJMCET-YLJYHZDGSA-N 433.578 2.116 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722538169 UWLPKFBHVWYOGJ-MRXNPFEDSA-N 445.486 2.270 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722617824 MUYTZXPXSOEOJJ-QHAWAJNXSA-N 444.624 2.375 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1722620069 IPZOJEPFIQAMED-AZUAARDMSA-N 430.597 2.462 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)C1 1722713859 JWHBULCWJXXWJH-LEWJYISDSA-N 439.560 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1722728183 RKWHBGHIFPZKHG-QGZVFWFLSA-N 442.520 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722730233 MDIOPJCGLOERGQ-SFHVURJKSA-N 449.621 2.107 30 10 IEEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1 1729521778 GWZQQLKBIXOZSG-UHFFFAOYSA-N 432.532 2.341 30 10 IEEE COCc1nc(Cn2c(-c3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)cs1 1730531856 AYZDXMYRWVXIQS-OAHLLOKOSA-N 426.502 2.334 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1740624011 CCHGMRNFRGXMDA-IBGZPJMESA-N 430.574 2.229 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740657224 WCDBMPJBZZLXBK-PZJWPPBQSA-N 437.519 2.466 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1740663641 ODPMXDSZFBXWBX-XMMPIXPASA-N 439.560 2.334 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1740785882 HRFSDRBTPSPBCS-QFIPXVFZSA-N 427.553 2.240 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1740795367 TVNNGINHWSOKGF-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1740798397 IETJXSNXRFHGSR-PMACEKPBSA-N 445.589 2.404 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccco2)CC1 1740824374 KHKYHFWCQCKQEE-QFIPXVFZSA-N 429.521 2.498 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNC(C)=O)CC1 1740837575 OLOSQGSYQWKUTE-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740933447 SPTRDPNQLQGMMZ-JOCHJYFZSA-N 441.557 2.078 30 10 IEEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1nn(C(C)C)c(=O)c2ccccc12 1740964713 HBMVOKGHSJCZNA-UHFFFAOYSA-N 447.503 2.015 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(C)CC2)C1 1740970801 QWRWEULRHJZFMI-FQEVSTJZSA-N 430.597 2.417 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)C1 1740974182 JTBIVMUEVAWTOY-ZIAGYGMSSA-N 435.326 2.096 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1741003450 VEHJBUPIGIPJLS-OALUTQOASA-N 432.594 2.420 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1cc(F)cc(F)c1 1741903865 FCMFJLNZCOIUOX-OLZOCXBDSA-N 426.493 2.148 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741983657 DBZPZXOJLOFUDO-PMACEKPBSA-N 449.964 2.278 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1748671592 LDWWATLPZWOORK-WMZOPIPTSA-N 446.573 2.288 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748817658 NRRDFHYEWQLNQH-GVDBMIGSSA-N 442.532 2.234 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1748820526 DFEPNTXLLQSYEG-IBGZPJMESA-N 435.638 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(CC)CC 1748876288 AOJWBMBITWTWNY-IBGZPJMESA-N 431.548 2.114 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1749376695 BQRWKIHAAUFBFO-IBGZPJMESA-N 445.589 2.355 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1749488692 LNUQWRABYHDFKX-LJQANCHMSA-N 438.580 2.333 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cnn(C)n1 1749550973 NMXPOPRNBDOPAA-KRWDZBQOSA-N 426.550 2.245 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)c(F)c2)CCOC1 1751027823 ZIPUBSYYCRMUBJ-IIBYNOLFSA-N 433.459 2.374 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC(F)(F)C1 1760196935 NIZAWSURWBADJX-UHFFFAOYSA-N 447.511 2.314 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1760501502 SKWLANBUTLXYKM-SFHVURJKSA-N 447.605 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 1760514813 GALVAECCGPLMQB-IBGZPJMESA-N 446.353 2.478 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](COc2ccccc2)C1 1760519002 OMPLNFMGFTWNHG-IBGZPJMESA-N 437.500 2.433 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)C1 1760595511 MDNGMLTYHVCGLS-OXJNMPFZSA-N 431.541 2.334 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1761363452 GMYYBCPBDGDYIZ-KTVWJZFRSA-N 433.516 2.328 30 10 IEEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1761409819 FPLIVIXSWVUGDW-SJORKVTESA-N 427.528 2.069 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@@H]1C 1767943525 FXAFTOLEWVIYTK-INIZCTEOSA-N 434.504 2.184 30 10 IEEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1770153613 UEEHRTFGIGUVFP-UHFFFAOYSA-N 437.342 2.449 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)cc1 1771351673 BVBYKXSQASDVOO-NRFANRHFSA-N 440.504 2.375 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1771507621 KZDSAWZEXZQGLA-QMHKHESXSA-N 438.532 2.211 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCCN2CCOCC2)CCO1 1771535889 BZTREVQGQFJVJI-IBGZPJMESA-N 430.940 2.440 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1772566840 LZVGPRXTZUHPIC-UHFFFAOYSA-N 426.521 2.020 30 10 IEEE COc1cccc(C#N)c1OCC(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 1852612295 JXOVHPAGBVPSFN-FQEVSTJZSA-N 426.492 2.190 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCN1C(=O)c2ccccc2C1=O 1861528234 DELDVJNQIMNQJZ-PXNSSMCTSA-N 443.544 2.111 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c(O)c1)c1cccc(Br)c1 1862524523 HIEZJMHHHWSDMY-MRXNPFEDSA-N 434.242 2.431 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572798 MYPCXJUKKWVEEK-CWTRNNRKSA-N 441.436 2.361 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)c1 1862606329 OVGJNNAAEPVUIZ-RNODOKPDSA-N 425.437 2.426 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc3c(c2)OCCO3)cc1F 1862644722 RNBWXGPJIAZXMK-IBGZPJMESA-N 429.400 2.176 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3Cc4ccccc4CN3)sc2c1 1866235108 YLGLJWTZOIMZHG-QGZVFWFLSA-N 428.539 2.414 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n(C)[nH]1 1870003726 HSDMCSAUOQOKDV-UHFFFAOYSA-N 442.479 2.468 30 10 IEEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CSc1nccn1C 1870298058 OTBRKTYNVILJNE-QGZVFWFLSA-N 432.546 2.076 30 10 IEEE CCCCCCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712264 XTLASPMJQNNVQH-UHFFFAOYSA-N 428.537 2.184 30 10 IEEE COCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(O)cc1O 1874471062 LCHWMRIMICKUGD-KEBDBYFISA-N 432.458 2.432 30 10 IEEE C#C[C@@H]1CC12CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 1891755700 ANFQEMRHDQWEIG-WIYYLYMNSA-N 443.569 2.450 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)C1 2020897915 PMEWXJSDKFKBJP-QFIPXVFZSA-N 429.517 2.445 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124531999 HVRSNTFGYOKDTM-DOQJBMMISA-N 444.341 2.408 30 10 IEEE C#CCn1ncc(NCc2cnn(C)c2NC(=O)OC(C)(C)C)c(Br)c1=O 2162346620 LYAUUSZYBDDGOI-UHFFFAOYSA-N 437.298 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227484189 RECATXXMKGMNLN-MAUKXSAKSA-N 444.347 2.244 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2247776670 BYGHTFTVGRSNTG-KGLIPLIRSA-N 435.355 2.276 30 10 IEEE C=C(CS(=O)(=O)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247960891 ABZVQIVVOLXXIO-YWZLYKJASA-N 442.387 2.350 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)C1 2255164873 QKKVAIBDEAUDBQ-JXKJCSFESA-N 441.528 2.139 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2255628187 DYIWVJYFUKNVLQ-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632313 LJPQADBHDWZFNT-CQSZACIVSA-N 434.346 2.038 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255947711 PQYKRGFCQQGMDB-CZUORRHYSA-N 432.326 2.334 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256615603 VONPGUXBASBLEJ-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267091171 PNOOVFQMBWYEAC-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267145576 FIHDFYQHPSMWHS-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2267187164 UDTVSFQMRBLCPY-JKSUJKDBSA-N 448.325 2.039 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(Cc2ccccc2)CC1 2267496078 UKUKYTLXRCJRBL-UHFFFAOYSA-N 438.381 2.361 30 10 IEEE Cc1c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267512363 FZKZSIXIHJGEPN-IBGZPJMESA-N 438.381 2.374 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267517636 WDEUZQRRTJCIHT-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267518024 CAOQOOPRHWKAPX-QDMKHBRRSA-N 446.357 2.369 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)nn1 2267581831 WNULNDCFHDNWLB-HOTGVXAUSA-N 447.345 2.168 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873437 YNPZIOAZUSEDFN-IEBWSBKVSA-N 436.365 2.274 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268668860 APEYQHYDRBDQAO-SFHVURJKSA-N 446.353 2.415 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269047561 UXCHKODKCINSKX-KXBFYZLASA-N 440.305 2.169 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271396309 WDBHDRIDFRPYMG-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE CC1([C@H]2CCCN(S(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282858552 YVEXRMLGBYSAML-AWEZNQCLSA-N 443.396 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@H](O)[C@H](N)C#Cc2cccc(Br)c2)C1 2296228995 FPFNMKBOUJHCSN-NXHRZFHOSA-N 439.350 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300301783 YQXUFKZVGFLEBB-FPMFFAJLSA-N 435.355 2.180 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)CCO)n1C 2315696814 JQLMBJTYNNTUOU-MRXNPFEDSA-N 427.354 2.441 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCCNC(=O)OC(C)(C)C)C1 2337199453 VSKGONVUKDXBOR-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2337202705 NIOCKPVJUJMWPF-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 96710860 PTSDFFSRNTTZNK-SNVBAGLBSA-N 429.134 2.261 30 10 IEEE C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 111001874 FVYFJYGAVUVSPW-SCLBCKFNSA-N 447.513 2.400 30 10 IEEE CCOC(=O)c1cnc(N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)s1 435030397 RCAVZHJZWPFSTN-CQSZACIVSA-N 431.543 2.180 30 10 IEEE Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N(CCC#N)CCN1CCOCC1 436899580 KSMBJUOPESBNSC-IEBWSBKVSA-N 438.536 2.309 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4snc(C)c4C#N)CC3)CC(=O)N2C)cc1 461190746 NVLIWTFNFAVSOP-FXAWDEMLSA-N 439.541 2.200 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 462121291 NLWGQDOBAOBUBW-UHFFFAOYSA-N 448.365 2.102 30 10 IEEE N#Cc1ncn(-c2ccccc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 464632998 AWBUKZLDKCKLQP-UHFFFAOYSA-N 436.497 2.178 30 10 IEEE Cc1ccsc1-c1nc(=NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s[nH]1 473832360 ASXNMPFWISOQME-LBPRGKRZSA-N 426.531 2.401 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@H]2C(=O)N(CC)CC)c(C#N)cn1CCOC 481404588 UNBJFQUJZUITMP-INIZCTEOSA-N 433.509 2.048 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1 486007485 SUEUZNHNFBXSPQ-LLVKDONJSA-N 440.474 2.407 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 486068629 BAELVLOLEINDDN-AWEZNQCLSA-N 441.345 2.149 30 10 IEEE C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1 487099046 TYIWKEYRHLZZPQ-IIBYNOLFSA-N 429.484 2.300 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 506865648 NVCVWPZTBPXHFN-ROUUACIJSA-N 448.520 2.214 30 10 IEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508482273 XPBVKMZVECCIJX-HSZRJFAPSA-N 433.516 2.138 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508496526 ZHTCZVMHIGAALA-UHFFFAOYSA-N 437.953 2.061 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 508653190 KAVZLOMKVCDBEU-NHCUHLMSSA-N 431.496 2.326 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ncnc3sc(C)cc23)CC1 508829399 YZCCSMPMIUBHOQ-MRXNPFEDSA-N 427.534 2.192 30 10 IEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508844653 JUQQPDOTQSJAJG-UHFFFAOYSA-N 442.545 2.003 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CNS(C)(=O)=O)CC1 510168385 IHSTXXUMQHDTCG-AWEZNQCLSA-N 438.619 2.477 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1-c1ccc(F)cc1 516829062 FTSFXLJKGBECQK-UHFFFAOYSA-N 442.541 2.086 30 10 IEEE Cc1nc(CN2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)n[nH]1 522918841 YWYIKZWOTPNSSH-UHFFFAOYSA-N 432.532 2.465 30 10 IEEE Cn1ccnc1CN1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1 530646245 RAGWHTMZKRNNAN-IBGZPJMESA-N 438.557 2.044 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cc(OC)cc(C)n2)c1=O 537394562 NOSRUIXDGNDANZ-UHFFFAOYSA-N 446.532 2.258 30 10 IEEE CC(=O)c1ccc(C#N)cc1N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 543438785 UVMNFFHPAVIQLH-UHFFFAOYSA-N 441.509 2.433 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 555285393 FLKBBFAGQUDDHU-SFHVURJKSA-N 431.924 2.444 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(c3nc(N)n[nH]3)CC2)n(Cc2ccccc2)c1C 590600101 HZLZSWVZLBEDRR-UHFFFAOYSA-N 432.532 2.543 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2csc(C)n2)c1=O 655033619 KMQPKLUJPWAVKS-UHFFFAOYSA-N 425.535 2.479 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)cs1 655142323 IHCNGXVHAGPSLQ-QGZVFWFLSA-N 437.546 2.240 30 10 IEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 685538506 XJLPJZKJPNRKDR-UHFFFAOYSA-N 437.548 2.498 30 10 IEEE CC(C)[C@@H](C)NC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725786926 PGSOULPMRUABLF-MWTRTKDXSA-N 425.533 2.155 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccc(OC)c(C#N)c2)cn1 746522885 PWKHOCLQJWBYEY-KRWDZBQOSA-N 426.502 2.051 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1C#N 749855258 GGTVJKHOGCFKCC-UHFFFAOYSA-N 437.500 2.041 30 10 IEEE C#CCN(CC#C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 752146801 AZKJYCGVNYDPDG-UHFFFAOYSA-N 439.512 2.045 30 10 IEEE CCOc1cccc(-c2nnc(SCCS(=O)(=O)c3cccc(C#N)c3)n2N)c1 753943822 NBPHVNQQXNSSLL-UHFFFAOYSA-N 429.527 2.495 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)c1ccccc1 755836192 NTSAJLHFIJPMGR-GOSISDBHSA-N 429.542 2.178 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)c1ccc(C#N)cc1 768709099 WNSYTTVRVIKNBH-VGOFRKELSA-N 427.457 2.206 30 10 IEEE COCCCn1cc(C(=O)c2cc(OC)ccc2OCc2ccnn2C)cc(C#N)c1=O 781151778 HNMGSAJYHOIRMU-UHFFFAOYSA-N 436.468 2.309 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC[C@@H]2CCOC2)C1=O 784117474 GDDKUIPFLDSSAG-CRAIPNDOSA-N 436.553 2.252 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3cccc4cccnc34)c2C)n1 788820138 ROAMYELUQZIWFY-UHFFFAOYSA-N 429.484 2.242 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 795244005 XQRACHJVASNBNC-KRWDZBQOSA-N 428.514 2.348 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1c1cncn1C 796087766 JODDAMYWIJDUJC-CKKDKOFSSA-N 431.537 2.096 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCCOc3ccc(S(C)(=O)=O)cc3)cc2C1=O 805330315 LLOMGZDLQIJTIZ-UHFFFAOYSA-N 429.450 2.108 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C[C@@H]1CCCO1 811725474 BVIVAWYWGUQVAX-HNNXBMFYSA-N 430.411 2.006 30 10 IEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC)[C@H]1CCS(=O)(=O)C1 812044790 NXVBLQXKCSXMHP-SJORKVTESA-N 432.546 2.463 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1130215097 WTZQKWVGFUISBC-IBGZPJMESA-N 426.454 2.162 30 10 IEEE COc1cc(CC2CN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc(OC)c1 1137075287 JPBLBIQYCUOXHB-UHFFFAOYSA-N 432.473 2.455 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCC[C@@](C)(C#N)C2)C1 1137759791 KAWZMRKSVMYVQK-VXKWHMMOSA-N 437.537 2.486 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 1146246774 FNLCSQNNHWNPPD-RTBURBONSA-N 437.496 2.382 30 10 IEEE Cn1c(=O)n(C)c2cc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c(O)cc21 1160468594 MMMGHWPAZXNYRA-ZDUSSCGKSA-N 431.493 2.498 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)ccc2OCCOCC)cn1 1212444776 DPSMVWLINKISMF-UHFFFAOYSA-N 442.335 2.173 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1ccc(Br)cc1 1252458798 MMFAHEVXXCOBSB-QGZVFWFLSA-N 442.317 2.149 30 10 IEEE CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccccc2C#N)CC1 1253867291 KUYYFCQWGGSPPY-IBGZPJMESA-N 445.564 2.396 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286301896 PXJBJRZIMNUMIW-BFQBXFRASA-N 434.500 2.150 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1(=O)=O 1286362778 HZHJLZWULGTUDC-CQSZACIVSA-N 440.367 2.083 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)N(C)C 1286402458 XNOSQWGNAAUHPT-UHFFFAOYSA-N 444.333 2.267 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286666981 GDMVABBKJDERHR-GVDBMIGSSA-N 425.599 2.496 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286835331 UYSCPLWPCBDFQQ-UHFFFAOYSA-N 432.638 2.284 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1295552952 DVRANEFYYFHVLK-IAGOWNOFSA-N 432.594 2.416 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1295876839 GTWIMOVSZWFURT-LJQANCHMSA-N 430.578 2.028 30 10 IEEE N#CCC1(O)CN(C(=O)c2cc(I)ccc2N2CCCCC2)C1 1296600326 JJUPMOVXHZFIHT-UHFFFAOYSA-N 425.270 2.382 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccc(C#N)cc2C1 1299940472 MLSHWHOMKOTWIS-FQEVSTJZSA-N 441.509 2.130 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300317209 MEXKNQSPRRGTGF-UYAOXDASSA-N 429.590 2.193 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1300504971 WSRBOBVJLAIZRY-LJQANCHMSA-N 440.525 2.434 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOC2=O)cc1 1300575348 XMQKJCYVFGPICC-UHFFFAOYSA-N 429.484 2.146 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C 1300597319 CZRHWYXRIZBZNY-UHFFFAOYSA-N 444.967 2.483 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nnc(C)s2)CC1 1300701097 GMCIXPJYFNOEMB-UHFFFAOYSA-N 443.527 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCCC2)CC1 1300723627 YAKWARAPQZCUPH-UHFFFAOYSA-N 449.603 2.490 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 1301358461 BPAIEZCWCQHKLI-QFBILLFUSA-N 440.548 2.219 30 10 IEEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(C#N)CC1 1302142478 YLRCSYZKQGVCLH-UHFFFAOYSA-N 441.536 2.015 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1303567326 QRXPBEFWASCTHC-AZUAARDMSA-N 438.532 2.211 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)cc2n1 1304007165 RNPNHCBTIGHRGU-OTWHNJEPSA-N 444.557 2.271 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2COc3ccccc3[C@H]2O)cc1Br 1309546390 GGINREZOSBBRRU-CZUORRHYSA-N 427.251 2.233 30 10 IEEE N#C[C@]12CN(C(=O)NCC/C=C\c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1313073114 DFJPWUIPUIRRBF-OOASWDBCSA-N 438.347 2.432 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1314515301 FWWJOZRQOQIPTF-QGZVFWFLSA-N 441.561 2.363 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C[C@H](C)O1 1315929720 DGTZQLSCEZLZDV-OXJNMPFZSA-N 438.532 2.116 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316527321 KATHJBMZHNESBG-ZBMSZTRUSA-N 439.426 2.053 30 10 IEEE C=CC[C@]1(C(=O)NS(=O)(=O)c2cnc3c(cnn3C)c2)CCCN1C(=O)OC(C)(C)C 1320698890 GUZJDKQABHUFMU-HXUWFJFHSA-N 449.533 2.119 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1358930453 VXURTPOURGEVSN-IBGZPJMESA-N 427.574 2.229 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2cccc(C)n2)CC1 1359030882 JJEITUXEHPTUBB-DEOSSOPVSA-N 438.576 2.022 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359225628 FNTGMKITUAPTIK-UHFFFAOYSA-N 438.511 2.497 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)COC)C1 1359319443 ZOTNGDUJIFOQQG-IAGOWNOFSA-N 438.532 2.256 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cscc1C(F)(F)F 1360248757 VYTJEYBOBVFPFC-GFCCVEGCSA-N 428.440 2.274 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1360817512 QEIYBLKCNPATGK-ZWKOTPCHSA-N 429.546 2.255 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 1447405545 UXOPPAHYRWEXAJ-KSFYIVLOSA-N 438.488 2.412 30 10 IEEE C=CCOC[C@H](NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)C(=O)OC 1448491901 CNIJZFPWGKTXLV-HNNXBMFYSA-N 437.493 2.263 30 10 IEEE C#C[C@](C)(CC)NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1460131386 LRIBLSPSNFERQS-ZAVKOYKVSA-N 445.541 2.248 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)cc1 1469505422 WGTZQQVPBPBZNQ-FQEVSTJZSA-N 434.558 2.452 30 10 IEEE CCCN(CC)CCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1500787211 HXPVPVMTWVJGJG-UHFFFAOYSA-N 425.585 2.128 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC1(O)CCC1 1503644367 BJAGFQLIGZLFIL-CQSZACIVSA-N 435.326 2.080 30 10 IEEE COc1ccncc1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1504456887 IEOQBQCEKRRRHU-HNNXBMFYSA-N 444.499 2.240 30 10 IEEE CS(=O)(=O)NCCn1c(N2CCC(CC#N)CC2)nnc1C1(c2ccccc2)CCC1 1505152998 PRUFGJLCSJGYGD-UHFFFAOYSA-N 442.589 2.427 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCOC(F)F)cc1 1505318018 DOUFJHZURWGUJS-UHFFFAOYSA-N 434.447 2.060 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCCCC1 1507645474 BUIKETAGSPNQIB-UHFFFAOYSA-N 433.512 2.192 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1507686616 FALFKNBFNBVNNV-CQSZACIVSA-N 438.504 2.122 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1507687354 NRLPOSDNDOPMNW-IBGZPJMESA-N 428.581 2.112 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCO[C@H]1C 1507702384 UPMFOYITONLLCD-GEQKSPFYSA-N 428.508 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC1CC1 1507707340 VUGOKBZFVQIICA-UHFFFAOYSA-N 446.349 2.320 30 10 IEEE C=C(Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507850100 BPLSOJYCXLFVTN-HSZRJFAPSA-N 425.533 2.311 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507913210 PFDNITHAJWFGHU-IBGZPJMESA-N 438.580 2.080 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](Oc2ccccn2)C1 1508082638 VQAUBWYXWUSSRN-QGZVFWFLSA-N 434.500 2.309 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1516381923 JDEPXYPTZVLQAG-JDGZLABWSA-N 442.564 2.397 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)C[C@@H]1C 1519229189 HNTNGRRCWXRUHY-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1nccs1 1524723760 DHNQTQFAORLYPE-UHFFFAOYSA-N 425.482 2.488 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnn3)cc2)cc1 1527274747 XNMRRDMXOXJIDK-HIXSDJFHSA-N 438.513 2.392 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)ccc1OC 1535151608 DSEIRBRGVNZUBX-UHFFFAOYSA-N 442.497 2.196 30 10 IEEE C#CCN(C(=O)c1cc([N+](=O)[O-])ccc1I)C1CCN(C)CC1 1536124043 XOWKXAZHLFGTJN-UHFFFAOYSA-N 427.242 2.369 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1539012137 IZGSIJKMXLPVHH-ZWKOTPCHSA-N 435.569 2.250 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(CCOC)c1 1539340292 KGFGHNDDRPIGMP-UHFFFAOYSA-N 435.532 2.498 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1539967284 PTMKDEPMRSSSLX-IXDOHACOSA-N 443.639 2.298 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCOCC1 1540897888 UYRDIWZYCRKRNI-MRXNPFEDSA-N 438.525 2.385 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCc2nnc3n2CCCCC3)n1 1543011310 FMEJRUHNSBKXGZ-MRXNPFEDSA-N 436.568 2.296 30 10 IEEE CCCC(O)(CCC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1546921002 FXRZOFHONKUJLG-VQIMIIECSA-N 440.614 2.350 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1554607340 GHFXEUBPQJYMSE-VQIMIIECSA-N 447.561 2.167 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)c4coc(C#N)c4)CC[C@H]32)CC1 1557020508 NWAPWLSCQMKQKQ-QZTJIDSGSA-N 443.504 2.159 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OCC 1561876804 XNFRRYKHNQMTSC-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE N#Cc1ccc(NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1C(F)(F)F 1562429823 BKTPUMACVIPRKN-KRWDZBQOSA-N 425.455 2.495 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1566818609 FJEGSMRLCRVMEK-MSOLQXFVSA-N 441.594 2.146 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ncccc1F 1587581122 WBFHTKHEEASWDU-HNNXBMFYSA-N 443.504 2.420 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](OC)C(F)(F)F 1588088886 BJRVNKUFOYEMRX-VQIMIIECSA-N 428.455 2.359 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)N1CCOCC1 1588166484 HLUXNRFSCDLCMA-LJQANCHMSA-N 439.585 2.373 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC1 1588848216 AHFQOXZFTPZFEU-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1588975961 NTVIJDWMHSTQJL-QGZVFWFLSA-N 448.637 2.161 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1612178147 BXQIJVQXGBLRCY-JOCHJYFZSA-N 439.495 2.098 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1614586267 GNVWHGCNBLTIBF-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1620053568 PXRSIPUCYPBTPM-ZWKOTPCHSA-N 433.459 2.483 30 10 IEEE CC(C)N(C)C(=O)C1CCN(C(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)CC1 1620490761 KMKMFZDXIZGCDR-UHFFFAOYSA-N 426.561 2.259 30 10 IEEE C=CCNC(=O)CNC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1624005267 DEYFKSWFONQBTP-CYBMUJFWSA-N 429.439 2.348 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-c2nc[nH]n2)cc1F 1626409110 MGJJTQTYWSIEQT-UHFFFAOYSA-N 428.449 2.068 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)CC1 1628942897 HYUKRFKIXCCBOV-GOSISDBHSA-N 441.488 2.015 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 1631151380 LXQBVLYKSLLWRT-GOSISDBHSA-N 430.505 2.264 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 1636227552 NIDORONMVLEPIK-KYDJUPTOSA-N 432.473 2.192 30 10 IEEE CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464137 UFWJCCHECXEIGK-RKDXNWHRSA-N 446.360 2.287 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1638939874 LIFIJXFYNQHADT-UHFFFAOYSA-N 443.573 2.227 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1639637813 GNSQQUYPSOLHGA-OAQYLSRUSA-N 441.509 2.029 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC)CC[C@H](C)c3ccccc32)cc1 1640672656 KITPXOZIFQXULB-HJPURHCSSA-N 440.521 2.294 30 10 IEEE O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N(O)CCCN1C(=O)c2ccccc2C1=O 1641857703 DUZKKSHSOXCXHG-UHFFFAOYSA-N 441.396 2.274 30 10 IEEE COC1(OC)CCOC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1648203866 FZAIMXOEHVJQIR-FQEVSTJZSA-N 444.507 2.470 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1 1655813690 LISIALXVDMCCCU-IBGZPJMESA-N 445.541 2.229 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1669545004 DYMZJGINJWCXCI-UHFFFAOYSA-N 434.493 2.085 30 10 IEEE CO[C@]1(CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CCSC1 1676232554 VUYSSICAZAGDSF-NRFANRHFSA-N 428.562 2.389 30 10 IEEE CC(C)(C)OC(=O)C1(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCOCC1 1683543280 SGLHBQCBYNWEJD-QGZVFWFLSA-N 430.505 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1689847342 XRSVFKUCBVWKAM-PZJWPPBQSA-N 431.544 2.484 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(C)CC1 1689961469 YXMHJPKWEOGHHP-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](OC)C(F)(F)F 1689964504 PUJBJEXKEBWRCE-INIZCTEOSA-N 437.470 2.489 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689993611 IGMXRJYOQQHLLQ-NFBKMPQASA-N 444.601 2.241 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc([C@@H]2CCOC2)cn1 1690005951 FLHMCVRRDSMYCR-LJQANCHMSA-N 445.483 2.327 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC(=O)NC 1690241391 RTAOQDLGNNNYGE-OXJNMPFZSA-N 427.505 2.227 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1690597560 XKICEROYNODATI-LPHOPBHVSA-N 441.623 2.075 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690676949 JFJFJKVYNAHJLR-HDICACEKSA-N 431.562 2.031 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C1Cc2ccccc2C1 1690722279 CWZCXFADWJFOFT-UHFFFAOYSA-N 425.558 2.488 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1692346756 NLGQKGITRBQRGU-HOTGVXAUSA-N 445.536 2.371 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1705541198 CFVMURPHYGEKIH-ICSRJNTNSA-N 444.605 2.103 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCOCC1 1705577885 XIJNYXPCXUTMKI-UHFFFAOYSA-N 435.347 2.383 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705661889 LALIENULUVTDAP-APWZRJJASA-N 441.557 2.119 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCO[C@H](C)C1 1705895228 YMRQOGMIMOOEEP-QGZVFWFLSA-N 426.521 2.065 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1706314730 IWERTHVWHRBCNE-QFIPXVFZSA-N 425.512 2.217 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1706854154 XXGNSOIHDQVCSB-YJBOKZPZSA-N 446.577 2.211 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)n1 1707732044 CAXKSEAOCQMUOK-OAHLLOKOSA-N 437.529 2.209 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CCC2)cs1 1707753064 KUERAAMGYCPPTK-UHFFFAOYSA-N 434.591 2.341 30 10 IEEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(C#N)C1 1712171660 NMHNKGJYXMRPEF-MGPUTAFESA-N 449.556 2.353 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1722306743 VSOCTDRKCVIFRK-FJIDUMEYSA-N 433.553 2.312 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722335322 ATJDVUOHBRLVQJ-GOSISDBHSA-N 438.551 2.211 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCCC1 1722345464 FHBCUHHAZAHVBC-UHFFFAOYSA-N 427.505 2.086 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)c1ccc(F)cc1 1722370052 GBMFLHOVRUTWSD-QHCPKHFHSA-N 425.508 2.316 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1722433792 DKNSTCIKHBRFSB-BGYRXZFFSA-N 440.592 2.490 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2snnc2C)CC1 1722441269 JHXTWSCWESEOEA-SJLPKXTDSA-N 429.594 2.160 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 1722459199 FRTSPAQLYLFFSU-GOSISDBHSA-N 447.630 2.119 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1722668841 BZUAVKPTSMEBPT-UHFFFAOYSA-N 433.534 2.009 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCOCC1 1722678788 YPKCRDIHSILMIE-SFHVURJKSA-N 443.548 2.076 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722695420 BXUGIUOCLPFTRH-MRXNPFEDSA-N 443.895 2.170 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(=O)(=O)CC)C1 1722711767 IKBMKRWCHCTKHT-INIZCTEOSA-N 444.561 2.147 30 10 IEEE Cc1cccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1724241700 DUPGLLJPPNXTQI-LLGFUMIMSA-N 447.536 2.398 30 10 IEEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)o1 1724291849 FYWYWPPLFMMTTP-UHFFFAOYSA-N 443.529 2.416 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1730888370 FLEAVTHGGSYHHD-JOCHJYFZSA-N 437.479 2.174 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CSCCS1 1740542123 OJHWMSUEIFBVSY-RHSMWYFYSA-N 426.575 2.227 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740586887 QOUGLABPCFYWGH-QAPCUYQASA-N 425.489 2.310 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1CCN(C(=O)OC)CC1 1740614519 UMGVWUALFXDMEU-UHFFFAOYSA-N 427.505 2.414 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1740661680 HQPBPFGUAMVPKD-ZDUSSCGKSA-N 445.467 2.295 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1)C1CC1 1740907519 WKFCBIZHHMPSOE-OAQYLSRUSA-N 438.576 2.186 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N(C)C 1740917278 MXOWEBXRSWCDKX-LJQANCHMSA-N 444.561 2.085 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740949670 OKVQVLZVQZRUMD-HOTGVXAUSA-N 431.541 2.092 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCOC2)C1 1740975539 WBKXVTMQJWZBOI-LJQANCHMSA-N 444.557 2.477 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1740975631 CSUHVILMMUHXGG-WOJBJXKFSA-N 427.597 2.328 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1741931309 MNTFKLXFBNJBNF-NWDGAFQWSA-N 446.455 2.180 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(F)F)CCN2C1=O 1746340287 DUGBCQPFLLHBEE-INIZCTEOSA-N 443.458 2.335 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1748718645 RMEFFFIIVGJHJE-VGSWGCGISA-N 446.548 2.221 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccsc1 1748776689 MIXAIIGWELRNQD-HXUWFJFHSA-N 430.555 2.387 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)[C@@H](C)CCC)CC1 1748979883 RFGQSNGVSILAJP-IBGZPJMESA-N 438.576 2.261 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(C)COCCO2)CC1 1748983013 GWEZOBDYRMUAML-NRFANRHFSA-N 433.915 2.298 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(C)c2C)CC1 1748994651 LUBMCPXDTWVONZ-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1749033947 SAKGQLLXXIIYFP-BZSNNMDCSA-N 446.621 2.117 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1(C)C 1749220013 ADQPWKPUCYYHBO-WMZHIEFXSA-N 441.532 2.395 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1749465115 NDHQIHXCMJCNBV-IAGOWNOFSA-N 436.582 2.331 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CCO1 1749575948 DEBUDNWWVNHMME-AZUAARDMSA-N 427.505 2.007 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)OC)CC1 1749627724 XGKKZTJATRJSMG-UHFFFAOYSA-N 434.541 2.467 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)[C@H](C)C1 1749659088 UJTKUHIFITVPSO-LSDHHAIUSA-N 442.589 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OCC)C1 1749727645 ZJMZHPYAKBNTHT-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC1CC1 1751238187 IWMOGTJOGIHFRL-IPELMVKDSA-N 428.562 2.432 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1752062205 KWGJQEUYZYNRQA-WZGSHADRSA-N 435.532 2.415 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H](C(F)(F)F)O1 1752311419 AMZINRRWOKYWMQ-JOTOCRJQSA-N 448.449 2.451 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760149826 GBIQOZWBTWHYHA-UHFFFAOYSA-N 439.527 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCSC(C)C)CC1 1760271894 QIDIZWRMXKSBHS-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1760273884 BUNOOZMQVANOGQ-HOTGVXAUSA-N 425.624 2.271 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760308306 AAEPMIQAPKQWSN-CQSZACIVSA-N 434.404 2.151 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1760316964 YWCPNVRAAVZPHZ-XPNTWCBSSA-N 441.576 2.130 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1760449309 GUGAJAMTJGZODK-INIZCTEOSA-N 444.536 2.094 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CN(C)C2=O)C1 1760542916 LKZCWTLLTZRNOQ-QRQCRPRQSA-N 431.487 2.407 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1761439584 FCSRBCRLFFQWMI-CVEARBPZSA-N 427.509 2.230 30 10 IEEE Cc1cccc(C)c1OCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1761898756 HBAXUCPHGGMKML-SFHVURJKSA-N 447.499 2.350 30 10 IEEE Cc1ccccc1OCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1762138099 YKFFDIHRMCPHKN-GOSISDBHSA-N 447.499 2.432 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1)OC 1763441417 ALLWENNKVFZDFE-XLIONFOSSA-N 440.548 2.173 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc2c1OCO2 1764127146 CBEVISYZJMGNPG-OAQYLSRUSA-N 428.468 2.415 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1766222381 FVSQBKSWYHNNHU-IBGZPJMESA-N 437.548 2.038 30 10 IEEE COC(OC)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1769691091 WFKJZFUBRUDPMM-RTBURBONSA-N 427.505 2.241 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccs1)N(C)C 1770216441 BPDZRTIDFFCRHA-FAJBIJEISA-N 446.577 2.095 30 10 IEEE N#Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1771533627 SCPKDZXIWONURL-UHFFFAOYSA-N 431.422 2.461 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)NC2CC2)cc1 1771534413 ADHKFUWRTCKHLQ-QFIPXVFZSA-N 437.479 2.230 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCOCC(F)F)cc1 1771534501 DCIZLFMBBWMRTB-CVEARBPZSA-N 449.414 2.125 30 10 IEEE C=CCN1C[C@H](C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)CC1=O 1848976809 YQRCPJOTQAPPFZ-OAHLLOKOSA-N 432.521 2.135 30 10 IEEE CCc1nc(-c2ccnc(N3CCN(C(=O)c4c(F)ccc(C#N)c4F)CC3)n2)no1 1852093085 XAPPXLUHJMPQPI-UHFFFAOYSA-N 425.399 2.201 30 10 IEEE CN(CCN1CCCC1)C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1852281172 IORGDQXFUQDCTB-JOCHJYFZSA-N 440.569 2.002 30 10 IEEE C[C@@H](C(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1)n1cncn1 1852732099 LIOHQNVTHJTBQH-KRWDZBQOSA-N 429.484 2.312 30 10 IEEE C[C@H]1CC(=NC(=O)CCn2nc(-c3cccnc3)ccc2=O)NN1c1ccc(Cl)cn1 1853116004 PNWOBHZWHWZHSQ-AWEZNQCLSA-N 437.891 2.472 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccccc45)C3)CO2)nc1 1853303758 RPVCXUDWXJSZOD-RBUKOAKNSA-N 445.479 2.189 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cnc3ccccc3c2)C(=O)C12CCCCC2 1854427023 HXSBZEFFJRNFRC-UHFFFAOYSA-N 426.498 2.075 30 10 IEEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CCC2=O)cc1 1856963104 NQTAYUSPZPFHCO-LJQANCHMSA-N 431.558 2.160 30 10 IEEE CN(C(=O)CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1C#N 1858018763 IXKBZFVEFGPVAZ-UHFFFAOYSA-N 440.525 2.126 30 10 IEEE COC(=O)Cc1c(C)nc(SCC(=O)[C@H](C#N)c2nc3ccccc3n2C)nc1O 1859432745 DRUWEDJTIWDNTN-ZDUSSCGKSA-N 425.470 2.061 30 10 IEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1cccc(OC)c1 1870976682 HBCDTNLPIZLVTR-UHFFFAOYSA-N 442.560 2.492 30 10 IEEE C=CCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873119928 VIAUBGZFWQHJNN-UHFFFAOYSA-N 439.537 2.315 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873645405 VEBQHUVPLPQGHD-UHFFFAOYSA-N 444.499 2.414 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc[nH]1 1874436195 QBGUSZZOJGXTCJ-YTRQYYDFSA-N 425.518 2.094 30 10 IEEE C#CCOC1CN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2009821023 UYTRIALICFLRIZ-UHFFFAOYSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2067758465 UKDGPTBAEZREIZ-UHFFFAOYSA-N 432.326 2.466 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631899 GCSMAKRHRLPHAP-NRFANRHFSA-N 434.346 2.228 30 10 IEEE C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255753902 XLXOIARZABKEKR-KRWDZBQOSA-N 445.394 2.180 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2257493596 DZYILPNYMYJKLZ-UHFFFAOYSA-N 431.342 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258959964 YTXTVDIJJQBWSO-QGZVFWFLSA-N 436.358 2.401 30 10 IEEE COc1cc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267136564 LACJJTFRZQSQTP-HNNXBMFYSA-N 448.325 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267137920 UPIOPAPZWJFSKJ-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE CC1(C)OB(c2occc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2267293334 PDRCPKRFIMOSAI-UHFFFAOYSA-N 440.349 2.336 30 10 IEEE CCc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267515364 NEABVAPBEZCRMK-UHFFFAOYSA-N 440.397 2.486 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)o2)OC1(C)C 2267556743 YNRSCVFUYCZKES-DEOSSOPVSA-N 440.349 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(Nc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267770413 RKTQGRZFHWMYQR-UHFFFAOYSA-N 449.313 2.288 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268612759 LEFRHXAKDBYOGU-QGZVFWFLSA-N 446.353 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCCO1 2268701856 RZEFSLQSWOLMIN-WBVHZDCISA-N 447.341 2.392 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269046770 HXFHOFLOUHVDRF-BEFAXECRSA-N 440.305 2.169 30 10 IEEE COc1cc(CNC(=O)C#CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273765591 JVIFOGHIMSRAPM-UHFFFAOYSA-N 444.337 2.139 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2296271050 CEZORBYPPLVXHL-SQNIBIBYSA-N 439.350 2.385 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(N(C)C)cc1 2328261612 YWCZNOGYWVXXGR-UHFFFAOYSA-N 440.529 2.391 30 10 IEEE N#C/C(C(=O)NC1CC1)=c1/s/c(=C\c2cccs2)c(=O)n1-c1ccc(Cl)cc1 35153495 AEHMCKANWOKVCN-OQCQOBCLSA-N 427.938 2.396 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)O 218512543 JHHSUFQOSSEGCJ-IFZYUDKTSA-N 438.480 2.420 30 10 IEEE C=CCCN1C(=O)[C@@H]2[C@H](c3ccccc3C#N)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 248225596 IZVGDMRTFDBBKT-UKDJSQQHSA-N 429.476 2.446 30 10 IEEE CC(=O)N[C@H](CS)C(=O)Nc1ccc(Br)c(I)c1 310636802 ARSNPJIWNPWRDC-SNVBAGLBSA-N 443.104 2.427 30 10 IEEE C[C@H](C[C@@](C)(N)C#N)n1cnc(I)c1I 379775078 ATUPNLOLWUJOBW-HZGVNTEJSA-N 430.031 2.284 30 10 IEEE CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 409518759 NHENNDITELQRBQ-XHBKTUGNSA-N 430.933 2.455 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 428378142 HTEFXBHQMCFYFN-MRXNPFEDSA-N 438.303 2.168 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1CC=C 443560760 ZDPOABIENXDRDX-UHFFFAOYSA-N 446.507 2.102 30 10 IEEE CCc1c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C 470204289 UYOKLRZCFOOUEE-UHFFFAOYSA-N 425.533 2.423 30 10 IEEE COc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)N2CCOCC2)cc1OC 473907595 BKLLYWOSZMHLRM-LJQANCHMSA-N 449.504 2.066 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(N3CCOCC3)n2)cc1 480380666 YSUYCJAAPHBEBL-UHFFFAOYSA-N 445.545 2.046 30 10 IEEE COc1ccc(-n2cc(CNC(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)nn2)cc1 483490939 RLUVMOTXDKHWAI-CQSZACIVSA-N 440.485 2.283 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)CC1 487273051 SFNCYYYHPRXUAR-TUNNFDKTSA-N 436.537 2.160 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 494238520 RLAVDGYUQVTUCW-DXIQSLLYSA-N 449.958 2.033 30 10 IEEE CNC(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1Br 494301845 SHHYUQVWLFVANE-UHFFFAOYSA-N 443.305 2.429 30 10 IEEE CCCN(CCC)[C@H](C)C(=O)N1CCOC[C@@]2(CC[C@H](CN=c3ccc(C#N)c[nH]3)O2)C1 503716946 OAEXMUPOACDYMM-ZILOHOTNSA-N 443.592 2.074 30 10 IEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)OC)CC1 508856147 JZWLHFMXCZZKIW-UHFFFAOYSA-N 438.301 2.328 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c2ccccc21 535468237 IIIJGVAJBBMRPO-RTBURBONSA-N 446.463 2.457 30 10 IEEE Cc1sc2ncc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)c(=O)n2c1C 537192339 AGRLKZLJGZXVBR-INIZCTEOSA-N 439.522 2.398 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCOC[C@@H]1c1c(C)nn(C)c1C 537852828 ORHVJYWFJKNOHT-HXUWFJFHSA-N 442.564 2.375 30 10 IEEE Cc1nnc(SCC(=O)N2CCN(c3cccc(C#N)n3)CC2)n1Cc1ccccc1 546197003 DAQQAZRIDUUPKG-UHFFFAOYSA-N 433.541 2.342 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCc3ccccc32)n1C 554905519 MEXQKAABJBYZJO-KRWDZBQOSA-N 429.532 2.145 30 10 IEEE Cc1nccc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2)n1 555404296 MMCRJSYLUDDOKU-FQEVSTJZSA-N 430.516 2.421 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(c2cccc(C#N)c2)CC1 560844161 SMTHHBLSPAHMIA-UHFFFAOYSA-N 425.510 2.307 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1c(F)cncc1F 579509756 BZLOSHXOLACMPY-ZDUSSCGKSA-N 435.456 2.009 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 581951305 YZZYDJNXXPMWCJ-MRXNPFEDSA-N 427.534 2.157 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1 586074278 SSAAEIQXUUQULN-IBGZPJMESA-N 426.498 2.100 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)nn(-c2ccccc2)c1N 590065363 WOCHTNJPZKVKHY-INIZCTEOSA-N 430.516 2.106 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 603798376 KUHJBPCXOJWPIF-KRWDZBQOSA-N 445.972 2.162 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)nc1 608950587 IJUOVYDTAAZMEU-OAHLLOKOSA-N 425.439 2.370 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C 677958514 IIABZGAKJCMXFO-UHFFFAOYSA-N 445.422 2.255 30 10 IEEE C#CCN(C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 729335107 IDYSIPGKKFHTEA-HNNXBMFYSA-N 433.448 2.218 30 10 IEEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730139095 PQKJBMTZJPGIAQ-YJBOKZPZSA-N 436.553 2.313 30 10 IEEE Cc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OCC1CCOCC1 741402461 CBTQKLOYNJZJCJ-QZQOTICOSA-N 428.489 2.448 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 747206311 HEOVTTYLBHSNGE-WMZOPIPTSA-N 444.532 2.205 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)cc1C#N 747494089 FCUHVFCCEBECRH-UHFFFAOYSA-N 448.401 2.342 30 10 IEEE COc1ccc(N2CCN(C[C@@H](O)Cn3nc(-c4cccc(C#N)c4)nc3C)CC2)cc1 758222779 JZIVCLRHSJXZNI-JOCHJYFZSA-N 432.528 2.317 30 10 IEEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763703625 AGUZBYZVDXBHRR-UHFFFAOYSA-N 430.877 2.295 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 765321279 IEZPOGCVHWMCOR-FQEVSTJZSA-N 432.480 2.450 30 10 IEEE COc1cc(C#N)ccc1COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 766881962 JCMKFZDDQLXGGO-INIZCTEOSA-N 433.486 2.316 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 766983680 WEQWYKJITDUXHL-UHFFFAOYSA-N 436.436 2.398 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCc2ccc(OCC#N)cc2)C1=O 771438550 IKIFJZUSOUPQIC-QHCPKHFHSA-N 437.452 2.416 30 10 IEEE COc1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1Br 776022210 ADCASVOJEUOLQH-NXVVXOECSA-N 439.266 2.114 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)n1 788618164 ULIJOLPENPEJKA-UHFFFAOYSA-N 438.467 2.189 30 10 IEEE O=C(CC(F)(F)F)Nc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 801884181 DKPSPKBRSKEARO-NXVVXOECSA-N 425.367 2.225 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 811453284 IRTQTXGIKOOXNG-GJZGRUSLSA-N 440.422 2.231 30 10 IEEE COc1cc(C=NNC(=S)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 915924519 ORLOHKIJZHAWDS-UHFFFAOYSA-N 446.504 2.392 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 919077709 MHROZVBJMGXKGT-AWEZNQCLSA-N 439.424 2.378 30 10 IEEE Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)nn1C 919590933 VZTNYPPDMLZCJR-HNNXBMFYSA-N 425.489 2.255 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3c(F)cccc3F)CC2=O)cc1Cl 1126150698 DRMUYHMMVITOMP-ZDUSSCGKSA-N 446.841 2.389 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)s1 1141255997 VTKGHJJRGUXOJX-UHFFFAOYSA-N 448.545 2.114 30 10 IEEE CN1CCN(CCC(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1154542000 XMQCEWKQLAHWQR-SZTYLXMGSA-N 447.624 2.306 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](S(C)(=O)=O)CC3)C2)C1 1155508190 ZAXZLNZPKIPRGM-JWRWLIQVSA-N 439.578 2.199 30 10 IEEE Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1178460415 JACHTZWUZCRGSM-VQTJNVASSA-N 434.479 2.274 30 10 IEEE COC(=O)C1=NO[C@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)C1 1197086887 OXJNCLVBIRYINP-LRTDBIEQSA-N 430.530 2.467 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)c(Cl)c2)cc1 1273216535 PVKOQAACUWDDLB-UHFFFAOYSA-N 425.869 2.480 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286357733 NQERTXJPKDGPBC-FQEVSTJZSA-N 440.569 2.460 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1286415157 LCNYONJXZDORRP-NZQKXSOJSA-N 433.556 2.471 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cnn(-c2ccccc2)c1 1286469741 YBUXWSGOUGPFRX-UHFFFAOYSA-N 444.543 2.460 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286553939 WHLHVVYCDJMWEB-ZCNNSNEGSA-N 441.557 2.421 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286593052 BBAUUJKTAXQJAB-QGZVFWFLSA-N 428.924 2.421 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1286606569 URPFFGZFQKWTCS-CVDCTZTESA-N 425.533 2.228 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NC)CC1 1286682337 KOMOELSXIWFXJH-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOc1ccc2c(c1)OCO2 1288125145 GYJJCSCDPVKLSW-QFIPXVFZSA-N 440.504 2.354 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1288976402 ADGPOHUAHNHIEM-DYESRHJHSA-N 429.546 2.259 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 1293033402 XWHDLBGVRORRJR-FBMGVBCBSA-N 435.362 2.232 30 10 IEEE CCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1297596979 QKYAHKPVAXHLIO-HBMCJLEFSA-N 441.532 2.488 30 10 IEEE CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C2)n1 1299063621 VKAHQWOFWXDYEY-MRXNPFEDSA-N 436.520 2.387 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300422418 MZLJTFPTMSZORA-IBGZPJMESA-N 445.589 2.345 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1300458701 KYBLUZFVAPCQCR-WBVHZDCISA-N 440.529 2.103 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(C)(C)O 1300676968 XJKAODITBDWDOF-CALCHBBNSA-N 435.569 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(NC(C)=O)cc2)CC1 1300695912 PEJHMKDFIOBDPF-UHFFFAOYSA-N 431.544 2.240 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300880786 KUVXWYQDMOKCJI-POAQFYNOSA-N 427.553 2.155 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300972998 SGGZXLSRRYNAFX-SVFBPWRDSA-N 432.613 2.373 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301209464 VJMHRGXPLSKBFX-SFHVURJKSA-N 435.536 2.240 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1301384303 TYUUMLPTQHMVBN-KRWDZBQOSA-N 436.516 2.176 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccc(F)cc2)C1 1301555642 XLKQZSAGPMKXIS-HMFYCAOWSA-N 429.496 2.057 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1Cc1cc(C)on1 1301773424 AUFHFONOJUEJKJ-UHFFFAOYSA-N 449.515 2.270 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1302149718 ABJIOXOPIRZDRX-NFBKMPQASA-N 441.532 2.254 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(F)(F)Br)cc1 1302990212 XGXUHYYXNOUCOO-LBPRGKRZSA-N 425.237 2.116 30 10 IEEE C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)N1CCOCC1 1303724723 PFZSABOFVYZFJN-INIZCTEOSA-N 439.564 2.122 30 10 IEEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312469610 PEEXDQDDOQUFGF-OLZOCXBDSA-N 442.442 2.438 30 10 IEEE CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312470143 NJIPCZIYZFRKRG-NXHRZFHOSA-N 443.504 2.412 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1314818357 BRHJWPJXYGLPFF-VQTJNVASSA-N 441.532 2.192 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1314953534 UMIHAVMBRLTHNJ-AEFFLSMTSA-N 438.532 2.178 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1315422813 DYLJZADJMHDKOU-RTWAWAEBSA-N 440.548 2.039 30 10 IEEE COCCN(C)CCn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1316072910 FOTYVRHGXXWREA-UHFFFAOYSA-N 443.571 2.392 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C[C@H]1C 1316127779 AMUWUIYROQHAHR-GOSISDBHSA-N 446.559 2.315 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CCSCCCO)cc1 1316529888 FRFGHVAFDWKBIN-UHFFFAOYSA-N 443.573 2.318 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(CCN(C)C)CC1 1358881647 KGFTWLBQUNURSU-SFHVURJKSA-N 438.576 2.405 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358887653 AGOKLZVXDBPXDZ-SJORKVTESA-N 428.537 2.232 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1358932319 HASLPEKSUNLXTN-UHFFFAOYSA-N 440.577 2.451 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358962257 MZLNSFUOBRXIQC-GJZGRUSLSA-N 448.511 2.387 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1359037406 IGCKCQQZYSGKRV-FQEVSTJZSA-N 435.601 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1359044481 HDNOMIMPNGVYEO-TZIWHRDSSA-N 442.608 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@H]2C)CC1 1359048479 RVVFJYADAAJTAR-HZEGPAAWSA-N 443.592 2.404 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1359055543 HFINFXIXKWZZIU-FQEVSTJZSA-N 449.584 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NCCC 1359073101 CJVBYNMVWUJNMW-OAQYLSRUSA-N 428.562 2.178 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359188952 XNBCIDOGVKPGBK-OALUTQOASA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1c(C)nn(C)c1C 1359295817 OJIQOKSPRJBBFM-UHFFFAOYSA-N 428.928 2.282 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1359307941 YQVXCNUWDHCSGX-PMACEKPBSA-N 441.532 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359329136 ZRYUDLCYYXMVMF-UZLBHIALSA-N 441.557 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1cccc(O)c1 1359331308 VEMWOTMFPVKKJG-OAHLLOKOSA-N 430.534 2.182 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCOCC1 1359539713 SHDPZLFCQAZAPL-UHFFFAOYSA-N 439.564 2.001 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCN1CCOCC1 1440524456 YRXNASQYWDYKAF-FQEVSTJZSA-N 428.533 2.231 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c1 1443468026 RHJXARDEIUNENK-FQEVSTJZSA-N 436.493 2.317 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 1447714757 SIVNDRKNQNKBGT-BEFAXECRSA-N 447.557 2.286 30 10 IEEE N#CCOc1cccc(CNS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)c1 1463077666 FBYJMRGTDHYXTC-UHFFFAOYSA-N 442.266 2.068 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1csc(I)c1Br 1468453430 OTGUAEMVPATWGI-LURJTMIESA-N 445.076 2.225 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)c1 1468631753 WMLJBASLZXSTRV-QGZVFWFLSA-N 428.510 2.224 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1cc[nH]n1 1468718974 WBKXQPFTJQHAAG-IBGZPJMESA-N 441.532 2.112 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 1469386494 DXAWIRDZPUVYQN-CVEARBPZSA-N 431.961 2.412 30 10 IEEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@](C)(C(F)F)O1 1470274885 IMXYBMWIQDGPAD-VBKZILBWSA-N 441.500 2.230 30 10 IEEE C#C[C@H](CCC)NC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470666477 YEBUSCAWPUQUCO-NZSAHSFTSA-N 447.580 2.366 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 1475233815 RKIAXLLMEHHYPJ-UHFFFAOYSA-N 433.755 2.394 30 10 IEEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(C#N)C1 1503405355 VBIAOAXYNFPMFI-REWPJTCUSA-N 440.548 2.499 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCC(=O)N(C)C 1504873280 DEONYQKJHTUYAR-UHFFFAOYSA-N 435.532 2.287 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)o1 1505318070 ZBKHDKNZNBUPCK-LBPRGKRZSA-N 433.394 2.291 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CC 1507605597 WJBZFBGGKCQTKO-KRWDZBQOSA-N 429.594 2.100 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1507635225 UTADDUBFEFBEJW-OALUTQOASA-N 444.605 2.186 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1507679197 SCUCPFOMBWZSAZ-QFIPXVFZSA-N 430.553 2.131 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)N(C)C)CC1 1507722972 PZLSSEQSXKXVBE-GOSISDBHSA-N 426.565 2.058 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507756709 LVDPJQGLTNEMRG-ROUUACIJSA-N 444.513 2.346 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCCOC)CC1 1507883293 XFEKMDHURYOILC-UHFFFAOYSA-N 438.532 2.402 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1508085526 HYVLKMCYAKKSJG-UHFFFAOYSA-N 431.903 2.334 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1(C)C 1508687342 ADWTVACJSCOUOX-KZNAEPCWSA-N 444.580 2.473 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1508812798 DAHXZICZYLDJGP-LJQANCHMSA-N 446.559 2.484 30 10 IEEE CC[C@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1512821434 XYMMIQAAQSBXMT-LZICOFPGSA-N 426.525 2.171 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1514278020 TZVXKAOWIUQVMB-GCJKJVERSA-N 425.537 2.274 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1516831973 BUXGTJDONXDHDJ-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1516872853 PERXFTYLBKBKBN-KKIUXKEOSA-N 442.589 2.139 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1516948543 FZFMVMLRWGUZQO-PGRDOPGGSA-N 426.496 2.168 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CCCn2cc(CO)nn2)C1 1521069127 DMOAYFAWDPKHDD-JOCHJYFZSA-N 438.511 2.069 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1524983037 DOWJAWNGRAPQJM-UHFFFAOYSA-N 440.319 2.471 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1534146799 SKXIBMTWEIAXQK-CYBMUJFWSA-N 429.336 2.002 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2C)C1=O 1534899446 RNRLCUKOCVPDAO-HNNXBMFYSA-N 434.290 2.398 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1539238311 VLARZDFDIXAZOP-QDSKXPNFSA-N 442.560 2.120 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1539266111 MDQVIMQZCQZIBY-QRVBRYPASA-N 432.590 2.094 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](F)COC 1539292033 YYFJCCLJJZJBEU-GOSISDBHSA-N 431.899 2.309 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539752431 NNUQFDHUTVVUAS-WOJBJXKFSA-N 428.533 2.130 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2occc2C)CC1 1539848225 NSGUPLHBVIEFKL-KRWDZBQOSA-N 447.561 2.058 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539917109 RPDLUGHCQQZWMO-LJQANCHMSA-N 432.613 2.375 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(O[C@H]4CC4(F)F)cc3)CC2)cc1 1540647638 DKNPWHPAPFKKHT-IBGZPJMESA-N 447.463 2.491 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1540909877 RDWWQMLBLBUWIW-CABCVRRESA-N 433.669 2.385 30 10 IEEE CC(=O)N1CCN(CCn2c(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 1541006731 CQYDOFUMDXPVPZ-YADHBBJMSA-N 449.603 2.483 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c1 1543764568 RDFNVOZKNFZUAN-UHFFFAOYSA-N 435.502 2.219 30 10 IEEE Cn1cnnc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](F)(C#N)C1 1554351827 GCAXSFVPNOBJTM-OAHLLOKOSA-N 437.302 2.388 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC(C)(C)CN3CCN(CC)CC3)ccc2c1=O 1557059200 SHTLRXDYCIRSKT-UHFFFAOYSA-N 429.590 2.017 30 10 IEEE CC(C)Oc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Br 1558806691 YGXPXKBZJJGODB-UHFFFAOYSA-N 433.262 2.067 30 10 IEEE CN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 1566318226 WEZMXNHZKDPACC-QFBILLFUSA-N 436.434 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCC1 1568507715 HBFVJVLWUGJEQI-RBUKOAKNSA-N 426.517 2.469 30 10 IEEE C#Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 1583839842 RKCYOVLMGLOVSQ-UHFFFAOYSA-N 442.537 2.402 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1586079756 YWKMBWBAWMQUCF-IBGZPJMESA-N 441.532 2.087 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1587989700 NINFQFNPLAKMPT-NQIIRXRSSA-N 425.533 2.097 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(SCC)c1 1588083236 CQONWWSFXPYPKV-MRXNPFEDSA-N 431.587 2.121 30 10 IEEE Cc1nc(SCC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c(C#N)c(C)c1C 1588131990 HMXGKBBDNBTORM-UHFFFAOYSA-N 430.555 2.203 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC)nc2OC)CC1 1588857239 LGFDZINUECVPQC-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCNC(=O)CC1 1589556320 BQAYRIXBYPBAMX-PGRDOPGGSA-N 425.533 2.207 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1593730341 WASWQLZGVMNTIX-NRFANRHFSA-N 425.581 2.149 30 10 IEEE C=C(C)COCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769492 OGSJCQGBYUTZMO-XGHQBKJUSA-N 436.509 2.026 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595461555 ZBZNOWSVJBKPOS-IXDOHACOSA-N 430.553 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2c(F)ccc(F)c2C1 1595789310 QQARMIRMXFZDFS-UHFFFAOYSA-N 446.483 2.177 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1595800031 FWXPXFVDWXJHHV-UXLLHSPISA-N 442.965 2.296 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 1597332392 MACRWUQIOBTPSC-UHFFFAOYSA-N 425.441 2.242 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1Cc1ccc(C#N)o1 1611700594 GAECBKYXIBLLDV-ZDUSSCGKSA-N 446.558 2.416 30 10 IEEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1=O 1615828167 PMROLDNJYUXZBE-QGZVFWFLSA-N 430.459 2.300 30 10 IEEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1615892701 CMHKUBBTWYICMB-REWPJTCUSA-N 429.613 2.330 30 10 IEEE COCCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619811285 RVEMTBOSGRZERV-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c1 1624519373 HNKWMFSIXCTIPM-KRWDZBQOSA-N 427.526 2.034 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)NCCCOCC)CC3)n[nH]2)c1C 1627188975 XCDBXMJGMSZZMN-UHFFFAOYSA-N 442.564 2.471 30 10 IEEE C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)cn1 1632365617 XVBBTYIBYLFCRF-LSDHHAIUSA-N 425.407 2.056 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)cn1 1633929208 ALKJOJVPSUOVPC-UHFFFAOYSA-N 426.274 2.315 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1636681878 QGDKYVLAZCOKCJ-RUZDIDTESA-N 449.555 2.376 30 10 IEEE O=C(CNC(=O)c1cccc(C#CCO)c1)Nc1ccc(I)cc1 1640562574 FWIWHGFTXWJLJG-UHFFFAOYSA-N 434.233 2.004 30 10 IEEE CCCN(C(=O)[C@H](C)N1CCC(Nc2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 1644004447 RVABDILAYNBXLX-PXNSSMCTSA-N 432.590 2.249 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)C(=O)OC 1665501134 NATAMLSZHYNSNA-AWEZNQCLSA-N 436.324 2.260 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C3CCOCC3)C3(CO)CCC3)C2=O)cc1 1671577563 WIMBQXKBBKVCTB-SFTDATJTSA-N 440.544 2.311 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)nn1 1672883147 DGJILYNDKCAHMF-UHFFFAOYSA-N 426.930 2.470 30 10 IEEE C#CC[C@H](CO)NC(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1678354323 CIKAADWXJLJIHI-WOJBJXKFSA-N 429.542 2.006 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)C1 1684083096 OVPJLPFBQREHJV-RBUKOAKNSA-N 446.979 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690022608 LMQVRIWFPBJWPU-DEOSSOPVSA-N 440.551 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(C)C)nc1 1690052499 JSTWCAKUBVTIAJ-UHFFFAOYSA-N 447.568 2.242 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690168170 ZCKNCYXRVIIHGC-LJQANCHMSA-N 426.590 2.255 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1690220340 WRWMPZQKYIULQL-UHFFFAOYSA-N 439.402 2.314 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1690257803 UYZUGEISSJVAKA-HXUWFJFHSA-N 426.583 2.298 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690411781 UTBIXICCQDNANK-PXNSSMCTSA-N 439.651 2.020 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1690571984 PKFHPSYJMAEXRY-GOSISDBHSA-N 443.523 2.396 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1690672896 HBPXWWKNVOPMJM-ICSRJNTNSA-N 425.533 2.328 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N1CCOCC1 1694125575 DRBHMOWWDJWXJE-RBUKOAKNSA-N 438.580 2.106 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)cn1 1695779875 FARCAKUNUMZXSF-UHFFFAOYSA-N 427.534 2.104 30 10 IEEE CN(Cc1ccccn1)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1696703637 XTASWBXXKAYTAJ-MRCUWXFGSA-N 449.540 2.488 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1697924880 WZYZRGUVYFJRGF-KNQAVFIVSA-N 436.520 2.037 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCNC(=O)c1cccs1 1698227564 IBEOAFVLUWGANG-ZOBUZTSGSA-N 432.550 2.232 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1705542674 LOPGLZCYKIPKLY-OAHLLOKOSA-N 437.953 2.176 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOCC1 1705552802 OSMWKRJGBLXFIM-UHFFFAOYSA-N 446.596 2.184 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[S@](=O)C(C)(C)C 1705623064 FSBCVPCHMVPVIH-PMERELPUSA-N 433.534 2.487 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CCC2)C1 1705888125 GFLITMPTILBMKO-UHFFFAOYSA-N 431.562 2.388 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705890701 CQTNFEATLPUCHS-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705899047 GUPNLFXXAQQJQC-QGZVFWFLSA-N 437.504 2.332 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1705906897 RZMDCCQCTQPKCW-IBGZPJMESA-N 439.495 2.373 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705914173 IFLKTUVUSJNYIZ-JOCHJYFZSA-N 427.505 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1705937144 KCAWRZFQMIDBRI-MRXNPFEDSA-N 449.487 2.385 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OCCN(C)C)cc1 1706426150 HKZNIEFVUIVDIX-NRFANRHFSA-N 426.565 2.388 30 10 IEEE Cn1cc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCOCCCO)cn1 1711245573 HEEPDTHVHDIOJA-UHFFFAOYSA-N 433.516 2.243 30 10 IEEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cn1 1711254830 DQWBPICYAZUZKJ-UHFFFAOYSA-N 447.547 2.229 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)c1nccs1 1712561045 GJYKGIMGIJDTSN-JZXOWHBKSA-N 445.593 2.439 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1712622352 PHMCZQMJUOZQOX-QSFXBCCZSA-N 438.532 2.075 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC1CC1 1722275518 FLJDHGQOBIFFRM-HOTGVXAUSA-N 431.562 2.183 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1722340772 HYVUMUGHZXFCTB-MOPGFXCFSA-N 444.580 2.284 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722358088 DJUXCEOXQFLBLJ-IAGOWNOFSA-N 435.619 2.393 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722370592 CQMOTRKICBWVDX-LJQANCHMSA-N 428.558 2.223 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)OCCCO2 1722387097 RTUMWIRSWKYVIU-UHFFFAOYSA-N 430.512 2.422 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722577340 DCPFRXHDIQATHA-SFHVURJKSA-N 429.546 2.083 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1)C1CC1 1722646911 MYZRSRCRWYJQMV-CQSZACIVSA-N 436.557 2.297 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1722700293 DOMFPTUDWQLGKS-NRFANRHFSA-N 432.528 2.014 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1722712291 PGOBESHNSZTEGZ-FZYZMVIOSA-N 438.557 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722751240 RMSHQQYWLFEPGY-PKOBYXMFSA-N 445.589 2.227 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCN1CCN(C(C)=O)CC1 1727574336 ASTGAMYVWZHSRZ-HSZRJFAPSA-N 449.603 2.335 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(C(N)=O)CCCC1 1727602348 BRQSFECRMLCKPM-UHFFFAOYSA-N 425.512 2.224 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1729235556 MUARBSDIPYHTFS-HZAQMHFWSA-N 431.562 2.217 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740623317 RFKUVPDYCGTDOA-MOPGFXCFSA-N 444.605 2.006 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1740629174 DLIFPJNKJOUONO-SFHVURJKSA-N 442.564 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CO)c2)CC1 1740704082 HLSVKUUSKMRLHQ-UHFFFAOYSA-N 444.539 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCO2)CC1 1740707989 YOTGFWAIBYNQNZ-XUVXKRRUSA-N 443.592 2.342 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(=O)(=O)NC)CC1 1740819193 HLRWFYOMTFHKCM-UHFFFAOYSA-N 427.477 2.252 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740890290 XDNZECYVBZZOAO-HXUWFJFHSA-N 440.548 2.148 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740901544 SQZGHFBFESIASJ-UHFFFAOYSA-N 426.546 2.185 30 10 IEEE Cc1ccc(C)c(N2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 1742163664 PQOCAWPLGOJTBB-QURGRASLSA-N 435.532 2.056 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1743205740 VEOHYTBKFWMGSQ-ZDUSSCGKSA-N 426.427 2.327 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1746646045 CBCGNYAXSWNZTM-VGOFRKELSA-N 432.569 2.317 30 10 IEEE COc1ccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1748682936 IUSVRJKXGZLDBE-CZIZESTLSA-N 440.529 2.033 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748802078 KTUTUJXVRPWPPC-SFHVURJKSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@@H](C)CC 1748841041 QPXOSYIDOYVCIG-SFHVURJKSA-N 441.605 2.041 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCc2ccccc2C1 1748875088 IXBYEUUYAYTLBU-GOTSBHOMSA-N 433.556 2.133 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2F)C1 1748888363 UPKFEXXQGYVFCI-ICSRJNTNSA-N 434.519 2.358 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1749022741 LOPYPJCLVMBXLC-IRXDYDNUSA-N 439.593 2.311 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749225914 LQPFFKUURMXCSR-UHFFFAOYSA-N 425.599 2.437 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749366567 HDVZCJYTXVDVOS-HOTGVXAUSA-N 446.639 2.042 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1749368507 KYDBNJKXPDSPIO-HOTGVXAUSA-N 443.639 2.155 30 10 IEEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1760146776 WHSFILNQPRDAND-UHFFFAOYSA-N 445.571 2.473 30 10 IEEE C#CCCCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1760159344 DARXOIIHAMQEJN-QHCPKHFHSA-N 425.533 2.376 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](OC)C(CC)CC)CC1 1760252555 RODXQAZMGCNIBE-HXUWFJFHSA-N 430.597 2.111 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc3cccnc23)CC1 1760256732 JOCFNEPBEJARDB-LJQANCHMSA-N 434.544 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(=C)c2ccccc2)CC1 1760268591 MBQYAARXKSXNSY-UHFFFAOYSA-N 427.512 2.414 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1760299519 XOLQVBXBCGOAGG-ZMPRRUGASA-N 440.552 2.218 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1760356191 HWRCMUNLNMDURT-IBGZPJMESA-N 446.502 2.427 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760361510 ZOQYBBFAPDEZQT-FUHWJXTLSA-N 431.541 2.297 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCOCCS(C)(=O)=O)CC1 1760392818 BDYZWOPQUJEJAM-UHFFFAOYSA-N 438.525 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CCC(N)=O)CC1 1760552964 HRIIEMOBWDIVMF-UHFFFAOYSA-N 431.562 2.028 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760556415 CQNJTDRJBVTIEE-RTBURBONSA-N 431.562 2.013 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760949972 BEJCVXQFAWEICX-ZREAOVPFSA-N 435.532 2.415 30 10 IEEE Cc1nnc(N2CCC[C@H](CN3CCCC[C@@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762584520 YVQQSDFZFRQFBE-AEPNEWLMSA-N 441.580 2.204 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1765703261 QSIGXDPOQKMKIL-UHFFFAOYSA-N 444.561 2.211 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)CC 1767621449 AEONFZCUVJOCKU-UHFFFAOYSA-N 447.561 2.430 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)OCCCN2CC3(COC3)C2)[C@H]1c1ccc(C#N)cc1 1848993823 NVZOQYTVYUTXHD-RTWAWAEBSA-N 443.569 2.217 30 10 IEEE N#Cc1cccc(OCC2CCN(CC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)n1 1849380396 YVESGAHCTPJXRQ-UHFFFAOYSA-N 432.480 2.299 30 10 IEEE COCc1c(C(=O)NCCN2CCC(C#N)CC2)nnn1-c1cc(Cl)ccc1OC 1850667941 AWYWIUGFBKWDBA-UHFFFAOYSA-N 432.912 2.041 30 10 IEEE Cc1ccc(F)c(N2C[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)c1 1851205195 ZVROQDQLNHPFGT-NSHDSACASA-N 435.399 2.358 30 10 IEEE C#CCN(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)[C@H]1CCc2ccccc21 1851654586 ZURFKRVYZSKFCT-ZEQRLZLVSA-N 436.577 2.477 30 10 IEEE C=CCN1C[C@@H](C(=O)N(C)c2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)CC1=O 1853333402 KAWAMESRQWUFFO-KRWDZBQOSA-N 427.526 2.458 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2=O)c1 1854022556 OOXQVQZAMFGPQS-UHFFFAOYSA-N 435.864 2.218 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C(=O)C12CCCC2 1854487508 KHMRGPJKHTVOFT-UHFFFAOYSA-N 445.419 2.036 30 10 IEEE C[C@@H]1C(=O)N(C(=O)C[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855807478 XNIBMFPSGKNFMY-KGLIPLIRSA-N 425.457 2.132 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cccc(Cl)n4)C(=O)C3)C2)s1 1856380741 RBNGUVKLHOOAOH-AWEZNQCLSA-N 429.933 2.227 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C2CC3(CCOCC3)C2)C1=O 1857038713 WJKUSVUNLMHOMQ-HNNXBMFYSA-N 431.514 2.062 30 10 IEEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cc(OC)c(OC)c(OC)c1 1861064617 USFOSBPVFOGELZ-INIZCTEOSA-N 437.537 2.163 30 10 IEEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(O)c2)ccc1F 1862502499 BJEPYZYYXUWCKO-LJQANCHMSA-N 428.416 2.260 30 10 IEEE CCCC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccccc1C#N 1867238425 XKNRCVOOVDTLGT-IBGZPJMESA-N 428.514 2.441 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccccc1C 1870354918 FKOVUHJQGPVEJP-UHFFFAOYSA-N 439.556 2.256 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2)CC1=O 1872917430 BCXBIKUFXBCNRR-APWZRJJASA-N 443.544 2.154 30 10 IEEE C=CCn1ncc(NC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2172854118 OITBJZHTCWUMIH-OUCADQQQSA-N 443.342 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2224073998 OYXRWNLPORJWDC-IAGOWNOFSA-N 431.342 2.205 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1CC#N 2225649167 YVNPPJMUJQQIKW-ZDUSSCGKSA-N 425.457 2.262 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2232318988 RFMGAROXIPGYHZ-LZLYRXPVSA-N 445.369 2.045 30 10 IEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2243435709 VRBVQKVCWXNFMO-GJZGRUSLSA-N 428.360 2.197 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626399 GBFUTEXEUGYLNU-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2256625425 WOAHIMNJMBFQRB-ZDUSSCGKSA-N 442.268 2.088 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258875244 BMIKDNNBWUHWGB-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2266992391 SVVMRUAFLXLWKZ-VQFNDLOPSA-N 443.353 2.318 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2266994328 SVVMRUAFLXLWKZ-HOTGVXAUSA-N 443.353 2.318 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267093066 ZTXBKHHEEYLQTO-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cc1c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267194931 HJCKBXAFJDRBCR-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2267242241 NKOQUPSCWTWRGC-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE Cc1c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267494072 PIFOKBOEGPJCDB-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267501785 CUFPEQZBFOUURM-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C1 2267505500 JMHRIUSKQBKLTL-RISCZKNCSA-N 444.259 2.416 30 10 IEEE Cn1nc(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267547386 JPLUFUIZDUJDSD-UHFFFAOYSA-N 446.357 2.016 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267550107 UZRSRZHFKYTGQY-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267551848 OSHMWFQVLZCYMJ-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268672581 UDJSFUXZSJQOPO-GOSISDBHSA-N 446.353 2.415 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268724090 HDZIYADPIVQUME-UHFFFAOYSA-N 447.385 2.059 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073228 HXFHOFLOUHVDRF-DNVCBOLYSA-N 440.305 2.169 30 10 IEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1 2331352025 WKPHGYAQEBSNNQ-UHFFFAOYSA-N 433.574 2.436 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC 2352140348 LGMJRQFIHQWSPD-ZACQAIPSSA-N 427.339 2.289 30 10 IEEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OCCOC)cc1 14660117 ASJCBLDFKYFWSD-UHFFFAOYSA-N 449.554 2.303 30 10 IEEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccccc21 33268686 FYTFPERJDZWYEQ-UHFFFAOYSA-N 432.524 2.315 30 10 IEEE COc1ccccc1[C@H]1/C(=C(/O)c2cccc([N+](=O)[O-])c2)C(=O)C(=O)N1CCOCCO 103099749 YPPGTQWTRICSDP-HQMFNGAOSA-N 442.424 2.034 30 10 IEEE COC(=O)c1ccccc1N1C[C@H](C(=O)Nc2oc(C)c(C(=O)OC)c2C#N)CC1=O 170521522 ZLMDSAFJLKRCSV-GFCCVEGCSA-N 425.397 2.025 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 428362326 HIHRLUJTOHOGSF-OAHLLOKOSA-N 428.518 2.373 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cc(Cl)ccc2Br)CC1 435799148 OWGZKVRCNOORMH-UHFFFAOYSA-N 443.773 2.274 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CC)Cc2ccccc2Br)CC1 471071629 FQUDIXRIYNUBCH-KRWDZBQOSA-N 437.382 2.400 30 10 IEEE COC(=O)Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 473493250 UOVPLABSIMQDOL-UHFFFAOYSA-N 441.509 2.313 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CC3)c2=O)n1 479394275 GIXPICWSFCXYAJ-UHFFFAOYSA-N 433.489 2.043 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 504399260 OZCTZLJQGVTVKE-SFHVURJKSA-N 436.472 2.127 30 10 IEEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 506946157 RHPROOJYNOEWSH-GFCCVEGCSA-N 432.424 2.299 30 10 IEEE CO[C@H](C)c1noc(CN2CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 507316623 UUAKLCVZHIISRA-QVKFZJNVSA-N 435.525 2.073 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 508493186 XSNNZGCDJIKDKO-UHFFFAOYSA-N 433.516 2.062 30 10 IEEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 508871621 GAXCJGGUCKURQD-INIZCTEOSA-N 431.924 2.349 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 522675024 YSKSSJMJIZAWDU-UHFFFAOYSA-N 444.528 2.356 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 527229269 OCGGJGMZPKTFBK-FQEVSTJZSA-N 436.516 2.036 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cc1F 532755846 XNOMUSGGJGNHGR-INIZCTEOSA-N 426.513 2.266 30 10 IEEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 549644808 WKUSYEDMYVROQT-OAQYLSRUSA-N 439.608 2.456 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCCCO3)CC2)c1 555503274 TUUFKOWZHLULPL-OAQYLSRUSA-N 444.543 2.426 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Nc2cccnn2)CC1 558989293 PYDASIQPAXYLFO-UHFFFAOYSA-N 438.561 2.717 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 562030203 YMSGRMJUEONQJO-JOCHJYFZSA-N 449.603 2.160 30 10 IEEE COc1cc(CNC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)ccc1C#N 589627828 FQOGYYSCXRBJLU-UHFFFAOYSA-N 448.467 2.065 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 726267803 RJRPCMDLSFZFOA-KRWDZBQOSA-N 428.537 2.432 30 10 IEEE C#CCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 729334988 FYYAYNXRBVXGFE-RDJZCZTQSA-N 442.497 2.425 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C1CC1 732652017 MSKSHMSIOSZYJH-GFCCVEGCSA-N 426.214 2.012 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CC3)c2=O)cn1 735069129 QIZOLQKAYZAVDA-UHFFFAOYSA-N 434.521 2.246 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 741644350 ZCUDUMSWLPRBFL-OAHLLOKOSA-N 435.477 2.482 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cnc3c(cnn3C)c2OC)cc1 752367283 ZTNPZTYYUOKQAT-UHFFFAOYSA-N 437.456 2.479 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)N2CCN3CCOC[C@H]3C2)c(C(=O)OCC)c1C 757757765 JIOZKVLBMGDGJL-CQSZACIVSA-N 437.518 2.124 30 10 IEEE Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N(C)[C@]3(C#N)CCOC3)cc2)cc1 769850270 PVLYHHPKIWUKBT-IBGZPJMESA-N 436.511 2.066 30 10 IEEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 773579448 YVTLONSBIAGKNA-ZBFHGGJFSA-N 430.509 2.122 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1C 777172005 KKQRMWCVNRGKFF-UHFFFAOYSA-N 427.482 2.254 30 10 IEEE C[C@H](OC(=O)c1n[nH]c2ccc(I)cc12)C(=O)NC1(C#N)CCC1 787721037 MVMYOZJYMRPYRB-VIFPVBQESA-N 438.225 2.275 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCO1 790862638 KHMDTSIWEVHZTG-DYVFJYSZSA-N 427.498 2.141 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 796095348 GGBPUDMQOKZCQZ-IBGZPJMESA-N 432.567 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)c3ccnc(C#N)c3)CC2)C1 802400165 NEKQIIYKOJRLLR-UHFFFAOYSA-N 437.504 2.315 30 10 IEEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2C[C@H]2CCCS(=O)(=O)C2)n1 804887970 QJAQSEFKPSYSSH-CQSZACIVSA-N 428.543 2.274 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 805785616 IFYRVSZTFUMHMG-PMACEKPBSA-N 431.492 2.328 30 10 IEEE CC(C)(C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 805843483 NHZCICNQAYUALZ-UHFFFAOYSA-N 440.930 2.410 30 10 IEEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)c1 807937214 YLNKCIPVZLGQLV-LJQANCHMSA-N 448.564 2.480 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(Cl)cc(COC)c3)cc2C1=O 811148643 LIQKYSALPHSUDI-UHFFFAOYSA-N 448.884 2.387 30 10 IEEE C#C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 812353166 HTGSYIKMMLDYIO-LJQANCHMSA-N 433.917 2.410 30 10 IEEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)cc1 1083915080 WLAWYOUZTZQIAK-UHFFFAOYSA-N 425.474 2.206 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1134729924 QPFSMMITKAUXIS-CRAIPNDOSA-N 445.463 2.176 30 10 IEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1146221544 SLWUZLUKVLWURN-AZUAARDMSA-N 446.548 2.106 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1149433521 ZWDIJSCQZGWCMA-FQEVSTJZSA-N 434.500 2.152 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 1155754321 JAOCMRWZLZJAJS-APWZRJJASA-N 443.573 2.280 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1169301215 UCMVLPIWTYFVSO-SFHVURJKSA-N 444.509 2.417 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1171490420 NVHFEKWOUWBCAJ-HXUWFJFHSA-N 443.613 2.134 30 10 IEEE CC[C@](O)(CCC(F)(F)F)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1179437826 RYMAMKCOUCHERQ-BEFAXECRSA-N 440.422 2.363 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCS2)c1 1286309638 NYGKFAUUSHNSIO-ZWKOTPCHSA-N 438.557 2.181 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1(=O)=O 1286362777 HZHJLZWULGTUDC-AWEZNQCLSA-N 440.367 2.083 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1286373713 IDQUDUDKURZNMR-QGZVFWFLSA-N 432.569 2.378 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286393221 PUBQLSWVLDICOK-FQEVSTJZSA-N 427.574 2.275 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286393344 DOLYNAREJUURQR-GOEBONIOSA-N 437.591 2.010 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)C1CC1 1286397419 NQGYXOVLKGSNSY-YLJYHZDGSA-N 425.558 2.155 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1286401569 RYXAVALBDLICHK-XMMPIXPASA-N 445.527 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OCc2ccccc2)c1 1286407578 NAUUKPYFYDOOEP-NRFANRHFSA-N 440.507 2.324 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1Cc2ccccc2C1 1286420161 MYIXEGHGHFIYME-SFHVURJKSA-N 439.585 2.156 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCC[C@H]2C)CC1 1286492014 CKEUZCZAZMTZSG-HFJQGTKSSA-N 429.565 2.037 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1286522046 FXJBUTVSVAXEHJ-WIYYLYMNSA-N 435.594 2.183 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1286722507 KVHQLZYLVNLSRJ-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1286727531 SOBWNOVVBPYACU-IBGZPJMESA-N 445.545 2.336 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)s1 1292797793 IDAPUHNNNAIWNN-UHFFFAOYSA-N 425.518 2.418 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCNC(=O)C2CCC2)CCOC1 1296597277 CYASGTFSKSHCLV-QHCPKHFHSA-N 444.580 2.367 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(C)(C)C(=O)NCC)c1 1300334745 RXVRUEJWQCMYRL-UHFFFAOYSA-N 436.560 2.449 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300490951 CUJPRBSOESHDPK-HXUWFJFHSA-N 433.622 2.437 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2noc(CC)n2)CC1 1300707042 AWCMHPGLYWYIDC-UHFFFAOYSA-N 435.532 2.109 30 10 IEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncnn1CC(F)F 1301217093 YYDLOQWBDRWUBI-UHFFFAOYSA-N 434.451 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nc(C)cs2)CC1 1301569170 RVWCVYVPKXANCY-OAHLLOKOSA-N 438.623 2.484 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)C2)nc1 1303900854 RFAJULBTIAXYTR-INIZCTEOSA-N 429.502 2.047 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1304907150 OWMAQCFWWXYYLP-ZTFGCOKTSA-N 426.521 2.377 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCc1ccco1 1305521430 IOUQAEDDRWTHMC-QGZVFWFLSA-N 448.531 2.294 30 10 IEEE C[C@@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)Nc1sc2c(c1C#N)CCC2 1337186471 AKUFEMMBYDGJHF-SNVBAGLBSA-N 432.889 2.457 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)Nc2cc(CC#N)ccn2)(C(=O)OC(C)(C)C)C1 1355711609 KMTYYTUPEPAPDQ-JOCHJYFZSA-N 446.504 2.434 30 10 IEEE C#CCN(c1nnc(C)n1CCCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 1358956208 BWJPDOXJDFZAKR-INIZCTEOSA-N 433.603 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(N2CCOCC2)n1 1358973311 NOCLIAWWPOTMDY-UHFFFAOYSA-N 447.930 2.346 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nncn1CC 1358989397 ARTUTCBGAXURFG-UHFFFAOYSA-N 433.516 2.475 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(OC)C1CC1 1359003002 UYBGNLLBVRQPHI-QFIPXVFZSA-N 445.589 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1359014695 SVYMIWHSUIWIFQ-CALCHBBNSA-N 433.553 2.050 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC1(C(N)=O)CCOCC1 1359019934 MNSRUOAAJIUNIL-UHFFFAOYSA-N 437.500 2.059 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Sc1ccccc1 1359024493 OFTMQCTUJKKUFL-QZTJIDSGSA-N 448.614 2.447 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnn(CC)c1 1359293153 ISYMHHAASKIYRW-UHFFFAOYSA-N 447.341 2.191 30 10 IEEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1360398644 HKRADWMJVOYLGG-HXUWFJFHSA-N 438.532 2.069 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 1437441030 KOSUUPYYPIELKO-UHFFFAOYSA-N 426.560 2.340 30 10 IEEE Cc1nc(SCC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c(C#N)c(C)c1C 1439032061 MBQDVWSVJAEECL-UHFFFAOYSA-N 430.511 2.335 30 10 IEEE Cn1cc(C2=NC[C@@H](CN3CCN([C@@H](C#N)c4ccc(Br)cc4)CC3)O2)cn1 1459895591 IZODPRRFJVZRHE-OALUTQOASA-N 443.349 2.210 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c2cc(Br)ccc12 1462894920 GVMDZIFOQIYAKL-LBPRGKRZSA-N 433.349 2.294 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)c1 1469958730 CPFXFBSCMRGIBD-UHFFFAOYSA-N 435.546 2.165 30 10 IEEE C#CCOc1ccc(CNC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1 1470253127 HTWXGLXYYLKYDF-UHFFFAOYSA-N 434.540 2.395 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)nnc1-c1ccco1 1472259991 XDTYNGUNIYTQSB-IAGOWNOFSA-N 431.562 2.264 30 10 IEEE C#CC1(O)CCN(CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)CC1 1473671360 DWEMNPDLXINIHJ-UHFFFAOYSA-N 437.496 2.355 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3(n4cc(Br)cn4)CC3)C2)nc1 1479237153 AASAZGOXGVANIM-HNNXBMFYSA-N 431.294 2.264 30 10 IEEE CN1C(=O)C[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 1479349584 FTBCWJOAHXWDQM-DMDPSCGWSA-N 431.308 2.094 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)OC 1494974105 FQWQXQCKNRYMOW-FXAWDEMLSA-N 440.548 2.173 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1499954255 BZGHJSGTARHVTP-YWZLYKJASA-N 433.582 2.385 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C1 1500563475 PCFJOWMKXNTCSJ-IBGZPJMESA-N 437.548 2.086 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1(C)C 1504521004 SWFUHPDPDRVJPW-SFHVURJKSA-N 436.520 2.259 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCOCC2CCOCC2)cc1 1505316969 MFHZLGFLWOEXPV-UHFFFAOYSA-N 443.573 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)noc1C 1507520827 GUABYWQNTRMKBD-AWEZNQCLSA-N 442.545 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC1CC1 1507524895 WXZBELUKAXEXNX-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCC1(F)F 1507710702 JWJCDJHPCCSFIM-CVEARBPZSA-N 430.521 2.092 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCOCC)CC1 1507726723 LBNMFAYEVBNMGX-UHFFFAOYSA-N 448.365 2.411 30 10 IEEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1508010539 XHQLBKHJODKNSF-JOCHJYFZSA-N 442.585 2.476 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1508098222 YUDRBBHNZKTYSH-GCJKJVERSA-N 445.951 2.269 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508154398 WJLXIJYNGUIWNZ-SFHVURJKSA-N 439.593 2.493 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508842123 IEGSZJCPZDRLJO-HSZRJFAPSA-N 434.548 2.284 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(O)CCCC1 1513014836 DBTAYZILXLUTFA-MRXNPFEDSA-N 426.569 2.337 30 10 IEEE CS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1519614774 XAJKJORTMQGDEC-MOPGFXCFSA-N 428.562 2.228 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539067218 BHOWIOQKXKULKD-HNNXBMFYSA-N 440.529 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCOC[C@H]1C 1539336788 GIPVOPBNFKKVHR-LJQANCHMSA-N 425.508 2.180 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1539344287 ZPXGKJWTJZLRGQ-CQSZACIVSA-N 438.623 2.345 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)nc1OC 1539376050 NIZRWPJHEZQUGP-UHFFFAOYSA-N 431.500 2.437 30 10 IEEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1539385553 HZKYWXRMVIXSBG-YJBOKZPZSA-N 426.425 2.297 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539521074 XPDQRBWGDJHWSJ-GOSISDBHSA-N 428.562 2.345 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539525377 YLVVCWIVVZXRKW-GOSISDBHSA-N 443.602 2.312 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1540127377 RKSPHUSDVWOSEE-BJKOFHAPSA-N 441.576 2.189 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1541664386 DXBZBOXXDXXXMP-UGDMGKLASA-N 442.589 2.473 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1543449483 GTZBPTJURIBCCC-WMZHIEFXSA-N 437.500 2.298 30 10 IEEE CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)N1CCCC1 1545992208 GIDOVWLHSADJIQ-MOPGFXCFSA-N 434.610 2.185 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CN4CCOCC4)C3)C2)C1 1556330955 OBBXVTVNTZZDPH-YINYVXRWSA-N 446.592 2.344 30 10 IEEE C#CCCN(CCOC)C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1564760240 WJEGVWZOKGYBDK-UHFFFAOYSA-N 428.577 2.039 30 10 IEEE C=CC1(CC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CN(C(=O)OC(C)(C)C)C1 1565578310 ZXVZSGCPGQJTQQ-UHFFFAOYSA-N 430.505 2.044 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cc(Br)n[nH]3)c(C#N)c2N)cc1 1566186515 IWJLQFDCUGONOW-UHFFFAOYSA-N 428.294 2.483 30 10 IEEE CC1(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)CCN(c2ccc(Cl)cc2C#N)CC1 1587162161 PYFZBLZJLJSVIH-QUCCMNQESA-N 428.920 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587587051 WWCKRNGJEDGDGN-HOTGVXAUSA-N 427.530 2.431 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1588083715 ITVIEQGYBOKKLX-QGZVFWFLSA-N 444.532 2.455 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC(=C)C)CC1 1588733023 KGJQVMSQVRGOCH-UHFFFAOYSA-N 436.560 2.495 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1 1589110791 ZTYPLZULYWNZCW-UHFFFAOYSA-N 429.575 2.006 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1589528379 GBGLVAUOSQZIDD-GHTZIAJQSA-N 441.580 2.355 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 1594976323 UOQCUAATACVICO-SEYXRHQNSA-N 433.574 2.387 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1595428636 WCTMCHMSTNRKES-UHFFFAOYSA-N 428.924 2.089 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)o1 1595530187 WFULUOOORHSVSD-UHFFFAOYSA-N 432.282 2.029 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1595569657 MJBORPZCGDUORK-TZIWHRDSSA-N 449.559 2.408 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCOCC2)C1 1595737559 CSOSGSWNVUSZFV-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N2CCOCC2)C1 1595743870 HDKQZVHPGSKXIF-WIYYLYMNSA-N 445.539 2.498 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 1596985953 YEVAANVIQHERFE-WOIUINJBSA-N 449.559 2.478 30 10 IEEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1597745023 GSGUPMQFBHFLOJ-GOSISDBHSA-N 426.496 2.360 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1610430379 KYFPFDJRIWPAJR-JOCHJYFZSA-N 432.569 2.317 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)OC 1613619078 DXKJMGIOVDBPEE-GHTZIAJQSA-N 429.546 2.257 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615357380 JVYHCFVMJIIPEQ-DLBZAZTESA-N 439.564 2.437 30 10 IEEE CCOCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1617077275 XOYXNCKJZLFSCZ-HXUWFJFHSA-N 425.472 2.179 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1620296207 HCHRNNKHJNIJGA-SJLPKXTDSA-N 426.546 2.197 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1629326030 GAHNSTRDKCFYJI-SJORKVTESA-N 449.552 2.118 30 10 IEEE N#C[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)c1cccc(Br)c1 1630698705 HOHYOYZQWVRGBF-IRXDYDNUSA-N 432.274 2.417 30 10 IEEE COCCc1noc(CN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1631769533 WTKORCLQZSRMCL-DBWCEAHUSA-N 433.509 2.004 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1634215566 CHQZEAURIHTOEU-RYRKJORJSA-N 442.603 2.385 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)[C@@H]2C1 1636368818 LFQBRGFRRUQNLT-BXNDTAEISA-N 431.533 2.477 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1Br 1639516148 DSXNKRXLSSKTMT-UHFFFAOYSA-N 435.366 2.376 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 1647728231 BTMFUURERCBKGA-SFHVURJKSA-N 433.350 2.126 30 10 IEEE N#Cc1ccccc1NC1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 1654384259 NDLVBLVCVWLLAL-UHFFFAOYSA-N 438.532 2.111 30 10 IEEE CCOC(=O)C1=C(CN2CCC[C@](C#N)(c3ccccn3)C2)NC(=O)N[C@H]1c1ccco1 1655280758 NJFVIDUHLQIUFW-NZQKXSOJSA-N 435.484 2.403 30 10 IEEE N#Cc1sc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1Cl 1662544730 DVOOIUOOOPGFLW-UHFFFAOYSA-N 429.886 2.346 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)CC1 1668772340 AKUFYKNYTOLCDV-UHFFFAOYSA-N 446.617 2.417 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCc3ccnn3-c3ccccc3)C2=O)cc1 1682022113 TUXIIQNPPXVSMD-QFIPXVFZSA-N 428.496 2.387 30 10 IEEE CNC(=O)[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)Cc1ccc(F)cc1C 1683409387 HQDDXJNUSZWFBI-HXUWFJFHSA-N 437.519 2.442 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1689826180 JINFXJONCWVNFW-MRXNPFEDSA-N 427.472 2.012 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1689980893 ZAKNKXYWDOEYCN-SFHVURJKSA-N 434.537 2.362 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1689986848 XZFCASLIONDXNV-IRXDYDNUSA-N 430.505 2.056 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689992047 GHMJPTXLRNKQSL-SFHVURJKSA-N 440.573 2.153 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689994424 XWYSLXPBSYXHRX-LJQANCHMSA-N 440.573 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CC 1690000129 SDGLJRJNRPAISC-FQEVSTJZSA-N 438.963 2.419 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2cc(CO)nn2)CC1 1690413368 PYDHAWOAWRWZPW-UHFFFAOYSA-N 428.566 2.210 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1690668832 KXTXEJUFVGKKOA-IBGZPJMESA-N 433.516 2.223 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)CC1 1690683052 AIFHRQSEHNYNJG-UHFFFAOYSA-N 440.573 2.322 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690696741 ICLKXLZAIRCIIC-PMACEKPBSA-N 430.597 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1690700252 PPAFVCVBBVDYJA-JSXRDJHFSA-N 433.597 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OC)C1 1690725464 QYBYWDXBRADSHP-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1690994033 UWEJVXTXCWXSLU-CRAIPNDOSA-N 446.939 2.263 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOC2=O)CCOC1 1692579499 BNGYIUJPZHAQSY-JOCHJYFZSA-N 446.552 2.291 30 10 IEEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1693392755 IEIQPYBLOJLENG-GOSISDBHSA-N 430.516 2.250 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1693869146 ZMFPLUOLJFEIBQ-QVKFZJNVSA-N 426.546 2.149 30 10 IEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1[C@@H]1C[C@H]1CF 1698060471 AVWBRDVCQPBGGF-ZWKOTPCHSA-N 428.516 2.349 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705531394 IGCSOJKIJZWJGG-CABCVRRESA-N 442.545 2.265 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1705552221 WNDVLDGWPMAZTR-GFCCVEGCSA-N 428.436 2.038 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)C 1705668546 OMJAKSQYMVSJHL-XKGFGPFHSA-N 437.610 2.332 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705817102 CKRSMYQOUSFZDM-KRWDZBQOSA-N 425.599 2.389 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc2cc(OC)ccc2n1C 1705833320 BKYDRYIYNFHZNQ-UHFFFAOYSA-N 432.488 2.491 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705899096 HXRGGIJWIKUQAJ-UONOGXRCSA-N 439.969 2.159 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705907528 PGULZRZMSRGDSR-RBUKOAKNSA-N 441.580 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2c(cccc2OC)C1 1705932154 NIJIXYRELMDEDJ-UHFFFAOYSA-N 441.557 2.456 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1710298439 HHWOLKHLCAZYIN-FQEVSTJZSA-N 443.983 2.355 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2OCCC2(C)C)cc1 1711885507 UQDBBXXSVZNODV-OALUTQOASA-N 427.505 2.410 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1ccco1 1722370868 PUXADXWLLUGTTF-UHFFFAOYSA-N 444.495 2.243 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCOC1 1722480513 QODTUEAQYQEWOG-HNNXBMFYSA-N 431.298 2.055 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)CCCOC)CC1 1722563199 VGZBNHZOVWLYAS-UHFFFAOYSA-N 437.552 2.046 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1722637141 FMWHZVALZOUDTC-MWTRTKDXSA-N 438.532 2.398 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1722652843 OSOVUIXBFAXPII-UHFFFAOYSA-N 430.574 2.272 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1722714916 KZCRQYNYTNDESO-HXUWFJFHSA-N 441.557 2.423 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@H]2C)C1 1722715365 OWXUJUUCCKMPCE-XLIONFOSSA-N 442.520 2.355 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCCCO 1723337960 MYUIOURPZOBBRW-GOSISDBHSA-N 426.569 2.406 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCc2ccccc21 1730763392 GDXQSRXSJZVCKA-DEOSSOPVSA-N 432.528 2.464 30 10 IEEE C#CCCCCn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1C(C)(C)C 1740578268 FPNAVXRCHWOPKG-UHFFFAOYSA-N 434.566 2.019 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)C1CC1 1740604979 KKRVXPSQVGCFOR-UHFFFAOYSA-N 432.322 2.312 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740620753 RGFCOMZLROZQET-PKOBYXMFSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628469 YCXYEUXTOAAIOD-MOPGFXCFSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(F)(F)F)cc1 1740640409 MQOOSRLQJKJVBT-MRXNPFEDSA-N 436.459 2.320 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740716007 RSRWXHPBDBMUAK-GOSISDBHSA-N 439.593 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740986626 CIQFQPKFZBGXNF-HKUYNNGSSA-N 445.589 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC2(CCC2)C[C@@H]1CC 1740994383 NIXMNGMIWZTFRP-KRWDZBQOSA-N 435.594 2.160 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1741131743 HHZFSDJIOKSGLK-OOSNJVJTSA-N 436.626 2.287 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1743903176 LQXFFMKEQCLGOH-DQLDELGASA-N 436.532 2.065 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1747550385 SGNIDVGQORIYEP-ROUUACIJSA-N 437.460 2.478 30 10 IEEE COc1ccc([C@H](C)CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1748594195 FYHBVSXTPJCALM-YLJYHZDGSA-N 438.532 2.445 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1748730029 CCYVAEWKHQEHRY-UYAOXDASSA-N 430.597 2.157 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1748816471 ZXZIBZDNCZSDMZ-DLBZAZTESA-N 440.660 2.411 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748819789 UFPGHMYABSCXQD-LJQANCHMSA-N 448.564 2.450 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2ccccc2)C1 1749034273 YMPGUURQDXUQTM-OALUTQOASA-N 425.558 2.391 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749096094 GJUDDCSPKQWOTN-CYBMUJFWSA-N 426.340 2.180 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1749508494 SEGSLDUGMINRBJ-LAUBAEHRSA-N 438.594 2.298 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)c2cc[nH]n2)C1 1749715192 QOZGLXANBKHZJV-IBGZPJMESA-N 435.532 2.112 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749732477 XELOJIHTXUTQAN-UHFFFAOYSA-N 437.610 2.230 30 10 IEEE CS(=O)(=O)NCCCn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1 1750216831 XEKNGYKRAZNZNA-UHFFFAOYSA-N 430.578 2.133 30 10 IEEE CC(C)OCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1751054846 WMJZHLWMNCZGAA-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1751299412 NRWCFGNMXWEZHD-JOCHJYFZSA-N 427.505 2.149 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2cccnc2-n2cccn2)c1 1760125336 HMIPYRYKANMWNQ-UHFFFAOYSA-N 426.484 2.272 30 10 IEEE C#CCCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159454 HLUBDJHMMULSAA-YESZJQIVSA-N 430.553 2.129 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760183349 AVNNXSBAXHRRTD-HOTGVXAUSA-N 435.981 2.175 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1760189088 NHWNEQXNXLVIRU-INIZCTEOSA-N 442.570 2.065 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1760227526 GVHCRPRHRPGMEG-OAHLLOKOSA-N 425.468 2.228 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1760234555 XYIFTFLMDQEMNT-AWEZNQCLSA-N 427.452 2.102 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccsc2)n1 1760252836 RSAHCJFREGQDJV-GOSISDBHSA-N 426.546 2.375 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1760339464 JJSICHXDLXTEEA-UHFFFAOYSA-N 437.548 2.201 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1760356719 VNCHHXBXPYTOFI-LJQANCHMSA-N 425.533 2.310 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760449792 VGXKUYOIOLOTEH-LJQANCHMSA-N 430.597 2.271 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1760522055 KRZOOZITRFEFAE-FQEVSTJZSA-N 430.597 2.177 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1765559518 FMJBTYISLNNKOU-IBGZPJMESA-N 441.555 2.231 30 10 IEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1768014768 VBZYSBLDDVSHDK-QGZVFWFLSA-N 428.500 2.445 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)Nc1ccc(F)cc1 1770177430 PRMMNZXKPQUSTI-DOXZYTNZSA-N 430.484 2.376 30 10 IEEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1771043082 BROIICSHDXSVCH-ATZDWAIDSA-N 429.546 2.428 30 10 IEEE Cn1nc2c(c1C(=O)ON1C(=O)c3ccccc3C1=O)CN(C(=O)OC(C)(C)C)CC2 1772791827 ZDKQWPBQINXKAQ-UHFFFAOYSA-N 426.429 2.081 30 10 IEEE C[C@@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CCS1(=O)=O 1850601403 RSWNKGAJWYAIMC-MRXNPFEDSA-N 426.542 2.358 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccc3C#N)CC2)c1 1851288040 OTRIKTCAFSRZCM-QFIPXVFZSA-N 438.553 2.369 30 10 IEEE Cc1nn(C)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)c1C#N 1851347192 GHPQFWZZNJIFBM-WOJBJXKFSA-N 432.528 2.470 30 10 IEEE CCCN(C(=O)C1CCN(S(=O)(=O)C2CC2)CC1)c1nc(C)c(C(C)=O)cc1C#N 1852092159 SVFIHLZWYNAKJB-UHFFFAOYSA-N 432.546 2.412 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4c(C)cccc4C)n3[nH]2)CC1=O 1852330644 JQCUHHDQLNYMTP-SJORKVTESA-N 434.500 2.276 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)CN2CCn3cnc(-c4ccccc4)c3C2=O)nc1C 1852977011 ZOVGIWUMIMIVOY-UHFFFAOYSA-N 442.479 2.447 30 10 IEEE CC[N+]1(C)CCC(N(Cc2nc(-c3cccn3C)no2)C(=O)c2cnc(C#N)nc2)CC1 1853574411 GBACSELRLRDVEN-UHFFFAOYSA-N 435.512 2.008 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)c1 1854435651 DTMAZPGPAIFTJK-MRXNPFEDSA-N 449.960 2.190 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)[C@@H](C)C2=O)cc1C#N 1857098048 HPYAWSAWDWNPRI-ZDUSSCGKSA-N 433.436 2.207 30 10 IEEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1857374132 WQKMKRZIYOXODC-FQEVSTJZSA-N 431.558 2.302 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cn2)CC1 1858452667 IAHKFUYGOMMLGT-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE Cc1ccc(-n2nc(N3CCC(C(N)=O)CC3)nc2NC(=O)c2cccc(C#N)c2)cc1 1870064215 QAVWSKPKCXREMA-UHFFFAOYSA-N 429.484 2.401 30 10 IEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871493794 DTARMDNRPINWJB-UHFFFAOYSA-N 431.548 2.297 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccncc3)CC2=O)cc1 1874197770 AMQWNZCZYNMRDN-DXRSZSRVSA-N 438.513 2.169 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)n2)cc1 1890010441 MNUPYSARHQJSJN-OXQOHEQNSA-N 445.479 2.426 30 10 IEEE C=CCC1(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2022829180 FEKSTKNIBREPDL-JKSUJKDBSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2057952820 JCSZNSBQNXWGGL-LESCRADOSA-N 434.342 2.303 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625114 HBPAZTGDTMYERW-DZGCQCFKSA-N 432.330 2.217 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116138930 SLTGVAHRJVJOQG-LLVKDONJSA-N 433.177 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2124532407 KAAKIMPCQSRECF-BZUAXINKSA-N 446.357 2.396 30 10 IEEE CCS(=O)(=O)[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2179895368 VHOIZPAGHWRVLB-ZDUSSCGKSA-N 445.188 2.157 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCC#CCCO 2229109152 GDHJUDBLLAMHTN-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243371716 ICIPUWOVEDKHOB-GFCCVEGCSA-N 425.360 2.333 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCNC(=O)OC(C)(C)C 2243384622 SUXVAVWHVBSSLR-UHFFFAOYSA-N 425.360 2.395 30 10 IEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243411969 DGBRPQVZAFBKJV-UHFFFAOYSA-N 446.400 2.240 30 10 IEEE C=C(CS(=O)(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243418059 ZTMBBOKCTBZKLC-UHFFFAOYSA-N 440.318 2.253 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544843 GRDIJPAFDOQGPZ-WCQYABFASA-N 430.232 2.250 30 10 IEEE CC(C)C[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255627804 YQOQJUCLYZBWHK-CQSZACIVSA-N 436.362 2.378 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255647503 ZOSVEFLONPNTPM-NSHDSACASA-N 447.288 2.116 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255830561 IAAQMJMZFBXODZ-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256016320 GPGPRDYLZZCGQS-CZUORRHYSA-N 432.326 2.334 30 10 IEEE C[C@@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2256062106 QKFIMBCDWHSYLF-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256624609 OECCZLGPHHNVMX-LRDDRELGSA-N 438.305 2.338 30 10 IEEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)F)ncc1B1OC(C)(C)C(C)(C)O1 2256679639 MFUICLASZGLPRC-RISCZKNCSA-N 438.309 2.274 30 10 IEEE CC1(C)OB(c2cnc(N3CCC(CNC(=O)C(F)(F)F)CC3)c(F)c2)OC1(C)C 2256891603 LPAAQYLOGVCPEU-UHFFFAOYSA-N 431.239 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)c1ccco1 2267135057 YCSUPAHTTKEHRM-CQSZACIVSA-N 446.313 2.298 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCCN1C(=O)OC(C)(C)C 2267182297 DUDBSIYDGKKZAK-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267236712 DZMMUIHDVJOMJC-MSOLQXFVSA-N 446.353 2.316 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267525776 JHERBLVVRDKIAZ-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267525778 JHERBLVVRDKIAZ-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)n1 2267547774 NHQSEZZENJNMNB-WMZOPIPTSA-N 440.353 2.228 30 10 IEEE Cc1nc(NC(=O)[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268639824 SDHWXGRPIXSYET-IMJJTQAJSA-N 444.341 2.278 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270598879 JSRNYQZQZRFNAT-ZDUSSCGKSA-N 441.259 2.054 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2271751847 APWWQFLWCVFDMW-GOSISDBHSA-N 447.385 2.211 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC4(CC3)OCCO4)s2)OC1(C)C 2282343851 RZKICZALUOHPBI-CQSZACIVSA-N 443.396 2.401 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300342805 ZIVWVDAFJSTTSX-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2329045113 CIPWYALKNDDQQU-MRXNPFEDSA-N 431.518 2.057 30 10 IEEE CS(=O)(=O)C1(C#C[C@@H](N)[C@H](O)c2scc(Br)c2Br)CC1 2367816720 PMIIBBHUUCUZLQ-SCZZXKLOSA-N 443.182 2.214 30 10 IEEE Nn1c(N/N=C/c2ccccc2F)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20528166 KXUMZYAAWCQCEJ-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nc(SCCC(=O)Nc3nncs3)n[nH]2)c1C 59831318 AFYTTYIDIDEDRL-CAOOACKPSA-N 432.539 2.222 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1cccs1 102526263 IQNFDILSXQNFSS-VZCCSQPZSA-N 443.481 2.410 30 10 IEEE CCOc1c(OC)cc(/C=N/NS(=O)(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 169903779 QUCOVLIKGDZIHA-YBFXNURJSA-N 439.446 2.332 30 10 IEEE N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2I)cn1 319038321 SBTHPZRTSXOFHI-UHFFFAOYSA-N 429.195 2.057 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 473434005 BDBRANJFBRNWIO-UHFFFAOYSA-N 447.539 2.452 30 10 IEEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)Cc1ccc(C#N)cc1F 478129191 BIEIXBRHWDMJFZ-CQSZACIVSA-N 444.488 2.223 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@@H]2COc3ccccc3O2)c(C#N)cn1CCOC 479832653 VWJZSMVURFMOIX-OAHLLOKOSA-N 428.445 2.144 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 481289924 TVRXXNKMRFTCDD-AWEZNQCLSA-N 442.472 2.378 30 10 IEEE Cc1cccc(N2CCN(CCCNC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)c1 503200524 BESJUZBKQKWUFL-UHFFFAOYSA-N 447.587 2.306 30 10 IEEE N#CCc1ccc(OC[C@H](O)CSc2nc3ccccc3c(=O)n2CCCO)cc1 508474237 OLYGXHIPKVKQPE-KRWDZBQOSA-N 425.510 2.377 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CCC(=O)N2C)cc1 545463106 LHHABELULVEQRU-OFNKIYASSA-N 433.512 2.220 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 549669503 JQTAIKAQZDLPTR-IEBWSBKVSA-N 449.552 2.320 30 10 IEEE Cc1nccc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CC2)n1 555404297 MMCRJSYLUDDOKU-HXUWFJFHSA-N 430.516 2.421 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 562030206 YMSGRMJUEONQJO-QFIPXVFZSA-N 449.603 2.160 30 10 IEEE CCOC(=O)N1CCN(C(=O)CN2CCC(COCc3ccc(C#N)cc3)CC2)CC1 585222176 QBAGSKHWZGVSLD-UHFFFAOYSA-N 428.533 2.088 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 595111050 QQWLEUKZTRZARP-SFHVURJKSA-N 435.480 2.009 30 10 IEEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 733618372 XDWGDAXUZIXZCZ-UHFFFAOYSA-N 435.594 2.004 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 737304968 DOTDSDVMJWIHPO-VHEBQXMUSA-N 446.891 2.243 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 739049522 PHKUEBOWODWJSQ-ZLNGRFOQSA-N 449.577 2.445 30 10 IEEE COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1Cl 740787098 WTQGIPORLHCLTA-ZDUSSCGKSA-N 446.356 2.226 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 747376608 ZOIGDNMBQIHXIV-SPGGGKMGSA-N 438.575 2.140 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1OC 749379710 DNPCIPBTKNNZKU-CQSZACIVSA-N 443.261 2.437 30 10 IEEE C#CCN(CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@H]1CCS(=O)(=O)C1 749841986 FUBBKPFHKXSBCH-SFHVURJKSA-N 428.510 2.128 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 758149112 RXPOHRNNKDFULG-OALUTQOASA-N 436.597 2.297 30 10 IEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 762213023 HPZAAUQIJJKXRY-HSZRJFAPSA-N 447.539 2.350 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCNS(=O)(=O)c1ccccc1 763317470 OWEAZCQRWOHDNO-UHFFFAOYSA-N 426.472 2.010 30 10 IEEE N#C[C@@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)CCN1C1CC1 765457628 LUMPXHRJVPIUQO-GOSISDBHSA-N 449.540 2.272 30 10 IEEE C#CCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 774184193 BDOWUGBNPUPCAS-HIFRSBDPSA-N 427.320 2.105 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 777754420 DUZOAQXFSWLKOX-NUJGCVRESA-N 443.552 2.214 30 10 IEEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OCc2ccccc2)c1 785991570 OVQNZMSUQNIDGS-LJQANCHMSA-N 434.496 2.411 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3ccccc3cc2NS(C)(=O)=O)n1 790104613 GNAYPKUYRTVINH-UHFFFAOYSA-N 440.525 2.330 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H]2C[C@H]2C2CC2)C1=O 797425536 KPZADMPCHJZCFK-UHOSZYNNSA-N 425.558 2.356 30 10 IEEE COC(=O)[C@@]12CCOC[C@@H]1CN(c1nnc(COc3ccc(C#N)cc3)n1CC(C)C)C2 802674170 TXUWRXJXNULMET-FDDCHVKYSA-N 439.516 2.401 30 10 IEEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 804022677 BAFPBFJUKMWDQM-YOEHRIQHSA-N 432.496 2.465 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1Br 804145649 SWEFFWYYQBUILZ-UHFFFAOYSA-N 432.274 2.271 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 805782998 RSHGTDCOXKINRC-OAQYLSRUSA-N 436.537 2.209 30 10 IEEE C#CCCS(=O)(=O)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 810780252 VQOUWYVOURSFOY-AWEZNQCLSA-N 429.926 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 811042478 NDXFPSAJGDFPIA-QEJZJMRPSA-N 426.489 2.067 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 811523524 DIUHRIRHCKHECK-QGZVFWFLSA-N 435.343 2.478 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccc(F)cc1 812750538 ACGSDAKMIKRGDI-HXUWFJFHSA-N 445.516 2.017 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCc2cn3ccccc3c2C#N)CC1 818076713 ARSVARKFUZFGEV-UHFFFAOYSA-N 441.513 2.295 30 10 IEEE CCc1cccc(CC)c1NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821735979 NSWWVWAEDDCYBW-UHFFFAOYSA-N 429.498 2.032 30 10 IEEE CON=Cc1ccc(C(=O)OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 918799441 RGMJXEWIPYOTQM-UHFFFAOYSA-N 439.516 2.394 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)c1 1084401258 KDJBFMXDVACREN-UHFFFAOYSA-N 425.518 2.488 30 10 IEEE Cc1nn(C)cc1C=NNc1nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 1084458250 SAKBIAHNDBLVEP-UHFFFAOYSA-N 429.466 2.322 30 10 IEEE CN1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1128369390 JHEXKGDIYABHRC-ZDUSSCGKSA-N 442.394 2.473 30 10 IEEE CSc1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1C#N 1133500492 GKUQISQWOPFIKL-UHFFFAOYSA-N 431.539 2.231 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC(=O)N2C(C)(C)C)cn1 1158225610 XMBNECYMBPJSPL-RDTXWAMCSA-N 426.546 2.208 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCOC)c1 1286308252 GRXWZZIROZTWFB-QHCPKHFHSA-N 441.532 2.021 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](OCC)C2CCCC2)CC1 1286470009 QDEAKXUIVCSVKN-FQEVSTJZSA-N 430.597 2.157 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)CCOC)CC1 1286471870 AUOGAQHFNMVKCQ-HSZRJFAPSA-N 433.597 2.137 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286505479 BAAQATJSYQODQR-CQSZACIVSA-N 440.541 2.137 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1286762545 IUTZUWZFEUXDRC-LJQANCHMSA-N 442.564 2.063 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286816986 JTUFAMXBUJIGRM-INIZCTEOSA-N 425.599 2.133 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286932452 WQBMLMILNFLIQE-FQEVSTJZSA-N 449.559 2.084 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1297759151 BGEZORPZPJKASN-HZPDHXFCSA-N 448.618 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1300272883 OASPBLXPNNWYIZ-BJLQDIEVSA-N 444.605 2.011 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1300381301 AZKRNISAXRLWRP-HXUWFJFHSA-N 429.565 2.482 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1300516690 HWYJZLGWWKSSBY-ROUUACIJSA-N 427.505 2.268 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300700255 NLUUZMUYLLOCOI-MOPGFXCFSA-N 446.596 2.183 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(CN(C)C)c2)CC1 1300703695 PSBQZSFTZSKRRK-UHFFFAOYSA-N 429.572 2.129 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300999857 HYHCJBPUILJXOD-AZUAARDMSA-N 425.533 2.473 30 10 IEEE C#C[C@H](NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1)C1CCOCC1 1301132379 JJSSJYXDVGNKGC-KDOFPFPSSA-N 449.345 2.461 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301219103 YXUNXJAJXGNSJU-UHFFFAOYSA-N 435.536 2.081 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1301515009 OPXGHPWSBJWQOF-SFHVURJKSA-N 429.521 2.029 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(C)(=O)=O)C1 1301541813 DGFTWCNOQGGBPS-AWEZNQCLSA-N 443.932 2.068 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1301609577 LIZYQFORBFXLMB-HNNXBMFYSA-N 426.546 2.336 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1313122621 KTYHHSSGTQLZJY-UHFFFAOYSA-N 449.527 2.460 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1316052960 WPSNIKVDTVOFFC-NRFANRHFSA-N 441.532 2.254 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(-c2nc[nH]n2)cc1 1359026322 SIZYZZUPUYOXDN-UHFFFAOYSA-N 428.500 2.183 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359070058 DNFUICVBOFUGQA-MZLICYQSSA-N 442.608 2.107 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359228745 NARPLTTYMNYRGH-QGZVFWFLSA-N 429.525 2.069 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359288010 OHAWZMOVRGICIE-QGZVFWFLSA-N 444.530 2.466 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1359631195 SWHILCXPBOPQRO-FQEVSTJZSA-N 447.547 2.412 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359655126 PNCIZDBEYNGOAG-JBYIUTFZSA-N 441.488 2.250 30 10 IEEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1438000795 WSNMFRYGSWIQQO-UHFFFAOYSA-N 432.586 2.464 30 10 IEEE CCOC(=O)CON=C(C(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1)c1cc[nH]n1 1452808120 WSPYSXNJJVJYHT-UHFFFAOYSA-N 436.509 2.244 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C 1452936720 QVNPVUMSYBQZKW-IAGOWNOFSA-N 437.581 2.016 30 10 IEEE O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1457997837 ADWRKPRCMRUKQK-CQSZACIVSA-N 425.416 2.083 30 10 IEEE CCN(CCCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OC(C)(C)C 1464884025 WJCHVWNRMAQAOJ-UHFFFAOYSA-N 427.498 2.500 30 10 IEEE C#CCC1(O)CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 1469718023 BEKAHUBSKSMMCN-QGZVFWFLSA-N 434.334 2.423 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CCN(CCC#N)CC3)c2)c1 1471237109 GRRREFUQZZEQBF-UHFFFAOYSA-N 438.484 2.333 30 10 IEEE CCCCn1c(N)c(N(C(=O)CN(C)[C@H]2CCC[C@H]2C#N)C2CCCC2)c(O)nc1=O 1473708714 YECJOOLRSSOEML-RDJZCZTQSA-N 430.553 2.231 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)cc1 1475311410 UYXMXJHLBHNKNZ-DHZHZOJOSA-N 445.493 2.381 30 10 IEEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1)C(C)C 1475918383 YSSXPQCRQYCSJD-UHFFFAOYSA-N 436.578 2.429 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1c1ccccc1 1478567071 FGZFTTDBEXUVOS-BDTNDASRSA-N 446.507 2.257 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1nnc2n1CCCCC2 1505058508 YMDAVAPCQCMAJU-GJYPPUQNSA-N 428.541 2.107 30 10 IEEE CSCC[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1505237637 VJMIZIDGCHOXMV-KOFUXLBCSA-N 434.566 2.234 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1507594940 LAHIJXOVKWESQK-UHFFFAOYSA-N 438.576 2.043 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1507633123 BJAUEALJLGIQBW-GOSISDBHSA-N 433.603 2.032 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSc1ccccc1 1507710728 KDZOAUOTIWHBJQ-KRWDZBQOSA-N 434.587 2.059 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507844498 KXTPOUAVHVZLDH-AEFFLSMTSA-N 444.532 2.446 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1507900052 DAUBYTNAMLODDD-HNNXBMFYSA-N 429.912 2.384 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1507944044 LTAWJXWBVJQHOC-JKSUJKDBSA-N 444.565 2.145 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@H]1C 1508027736 NYBMNMPZDODYKD-GOSISDBHSA-N 425.537 2.227 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCS(C)(=O)=O 1508038545 TWBUMWNRSLMRQV-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1509002390 NYEZOPXGFMOJFN-IBGZPJMESA-N 437.548 2.104 30 10 IEEE CC[C@@H](C)c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513087146 BSACZIWFUQUOOE-ORRMHPNKSA-N 428.537 2.037 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)c1 1516763099 WGSHWFIHCULRFK-OAQYLSRUSA-N 435.480 2.102 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 1527211464 LNYQUJVPZJTMQG-MXXSPSOJSA-N 432.546 2.133 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1538974057 QTGWUOOCHJTSPB-ZIAGYGMSSA-N 425.942 2.079 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539525670 AFMZCJPQGJWLFH-KRWDZBQOSA-N 434.587 2.155 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539751532 OZCYZZVSMFZHGI-KRWDZBQOSA-N 429.496 2.367 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N2CCSCC2)CC1 1539836410 RCRDJQZDVOWOMG-UHFFFAOYSA-N 437.591 2.382 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1540028096 JBLHHGLBEDWEJB-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(Cl)cn2)C1 1540882529 JYMJEZIVPHPAIA-MRXNPFEDSA-N 434.928 2.325 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1540895544 UVBJWDYWNSSYIR-SIKLNZKXSA-N 441.557 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccc(F)c1 1540902766 PRTFZJUUAZCMKR-ROUUACIJSA-N 447.536 2.311 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)cc1 1542482658 AHFXCIPESFHTPK-IBGZPJMESA-N 447.561 2.109 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(F)c1 1555663782 NKPBLIGQCKFETG-OXQOHEQNSA-N 428.512 2.366 30 10 IEEE C#C[C@H](CO)NC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 1556794988 QXQYHMPFFFTRSZ-OAHLLOKOSA-N 447.285 2.199 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)N2Cc3ccc(C#N)cc3C2)cc1OCC 1557206939 MZZLFPQJYORZDD-UHFFFAOYSA-N 429.498 2.176 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cc2csc(N3CCOCC3)n2)C1=O 1568439839 GJPQCXBRNKWGEG-HXUWFJFHSA-N 437.566 2.224 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1570418110 GGCFGEFURODSEE-SJORKVTESA-N 428.558 2.347 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCNS(=O)(=O)CC 1588297987 PGFUIZGJPSGMGY-UHFFFAOYSA-N 426.546 2.282 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1593884166 DEMBJFZPYTZJKZ-OLZOCXBDSA-N 442.891 2.480 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1594624945 CNYFYZIXPZCYLZ-XKGFGPFHSA-N 438.594 2.309 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1595205451 VOQVBDFWRFJLBJ-UHFFFAOYSA-N 436.520 2.168 30 10 IEEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)s1 1612524698 FLYDQUHSIBZIGR-INIZCTEOSA-N 443.558 2.038 30 10 IEEE C[C@@H](CC#N)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1618825692 LTZOERWMXLYHDJ-DBVUQKKJSA-N 440.500 2.369 30 10 IEEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1619470572 DZYAKELZSZYLHC-KRWDZBQOSA-N 431.500 2.360 30 10 IEEE COCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619822009 BXUVOTQGGYTPCK-SFHVURJKSA-N 447.547 2.067 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1620038534 UWTIWLADDPMTEH-HTAPYJJXSA-N 442.495 2.053 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1)c1cc[nH]n1 1625603905 MPWUJDPNSFDXML-QGZVFWFLSA-N 441.532 2.384 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1632077507 CCWJWFABOOKLIF-CABCVRRESA-N 425.298 2.331 30 10 IEEE N#CCCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 1635905890 PBHZWBBGNHKHDD-MRXNPFEDSA-N 438.315 2.256 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1)c1cc[nH]n1 1639438166 RNQOKQMMTGPDPH-UHFFFAOYSA-N 438.488 2.257 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)s1 1643887487 RLAHZEIDPSNQMS-MRXNPFEDSA-N 432.571 2.161 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)CC1 1644282183 XSWDNXUCZNUVCH-UHFFFAOYSA-N 429.517 2.335 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(c3nccn3C)CC2)n(Cc2ccco2)c1C 1644370374 LNICSNUAPVDTQS-UHFFFAOYSA-N 436.516 2.274 30 10 IEEE C=CC1(CC(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)CN(C(=O)OC(C)(C)C)C1 1645357582 ZFGMWJIOIWCMEE-MRXNPFEDSA-N 431.537 2.389 30 10 IEEE C=C1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CC1 1666929171 ATQZXCNJUPFZLY-UHFFFAOYSA-N 434.562 2.492 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1)C(=O)OC 1670894461 XZHQINJJQHUTKI-QGZVFWFLSA-N 433.486 2.129 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1689884233 NRVTURZUAOUMGT-SFHVURJKSA-N 432.594 2.195 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1689912826 BLLLKLYGYWHEQX-HKUYNNGSSA-N 431.562 2.188 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1689966502 TYMKZXLJIRZJPZ-SFHVURJKSA-N 443.552 2.251 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1689983749 GRNSKZQWUJIUOG-FQEVSTJZSA-N 446.536 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCc2nccn2C1 1690034547 LJFOQPJWCFOGCG-GBXCKJPGSA-N 436.560 2.241 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1690060860 KXUIEFLIMGVMNA-JOCHJYFZSA-N 427.553 2.144 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690085782 FXSQNUWVNCKUIE-GOSISDBHSA-N 445.589 2.161 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1690252802 IZFKKBYYSTYXFR-YRNRMSPPSA-N 429.496 2.289 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CC(C)C)C1 1690665510 GMKAEHZLWBAZFD-QGZVFWFLSA-N 435.536 2.095 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690722944 BTMMDMTZVUBMTL-INIZCTEOSA-N 439.582 2.250 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1691006814 QKDDXEVQNZWXHL-MSOLQXFVSA-N 447.584 2.278 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCn1cnnn1 1691866409 VEIISTXYSTWRIJ-UHFFFAOYSA-N 440.943 2.330 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1692882137 AYUABKMPHKMPEH-IBGZPJMESA-N 445.483 2.267 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC1CC1 1694085543 UWNZPKQMCDNPBH-AWEZNQCLSA-N 444.561 2.151 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1694120528 GSUYPBNZCOKYEN-SXLOBPIMSA-N 439.564 2.436 30 10 IEEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CCOCC1 1694477103 FDMCFKNLRYLZIV-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1696676007 FDVIUJXHCIRUIO-UHFFFAOYSA-N 449.559 2.215 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(O)CCOCC1 1697581829 CMJBRILUPJRTRP-OAQYLSRUSA-N 429.496 2.251 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N2CCCC2)CCOCC1 1698228445 WJFKOIUQJIZXPY-UFYCRDLUSA-N 446.596 2.385 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705512726 MGLQJTKUZBHVSL-UHFFFAOYSA-N 440.573 2.480 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705526691 KHNKZHPZDGLPLG-AUSIDOKSSA-N 445.571 2.219 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1705542606 JVPRNVPFLQBRML-QHCPKHFHSA-N 425.533 2.127 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1705569177 DIFISVXEJNWCRU-AEFFLSMTSA-N 449.527 2.326 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)cc1 1705574523 GGNPNWZKKZYFMD-XMMPIXPASA-N 435.528 2.398 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cscc2C)CC1 1705644796 CCYODJAGMNNOQT-QGZVFWFLSA-N 445.589 2.386 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)C#C 1705653472 IILOTVLWNVWITR-HNNXBMFYSA-N 430.603 2.371 30 10 IEEE C#CCSCCn1c(N2CCC(c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1705665100 JTYQDGXZWFCPJB-OAQYLSRUSA-N 446.577 2.372 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCCOCC)C1 1705704422 UEZMZGMYAQDWLL-HOJAQTOUSA-N 430.553 2.292 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1705715949 UQLHNRUAXOKODU-GOSISDBHSA-N 426.521 2.070 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705795425 KARBTXXZXLHDQJ-LJQANCHMSA-N 430.597 2.476 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@@H]2C1 1705825584 XMAHVMJVQUTONR-GOSISDBHSA-N 425.537 2.193 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705895486 IIIVNJJLGDCTIF-DZGCQCFKSA-N 448.369 2.011 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1705911136 ZPEPNMPBGBZCOS-IBGZPJMESA-N 440.548 2.134 30 10 IEEE C=CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705949427 YLIBFYUUALPISV-RTWAWAEBSA-N 437.610 2.200 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1706345907 QUHCPCWSJMXXAF-QGWGWZPUSA-N 436.516 2.333 30 10 IEEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1707895670 IPGQQWLNZBOOTB-SFTDATJTSA-N 442.589 2.199 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708607645 ZMTWFLCLSQSSHX-IRXDYDNUSA-N 439.564 2.437 30 10 IEEE CCOC1CC(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1710582262 XXQGIYVLNGHDTQ-VLMZZQAOSA-N 433.553 2.253 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1711203451 GGSZWEIURZTUFR-OAQYLSRUSA-N 443.529 2.188 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1coc(-c2ccccc2)n1 1712565716 GOADGLMCMBMMIQ-VQIMIIECSA-N 438.488 2.434 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCCCO)C1 1712875254 AVTQKMVPKKPVNP-YLJYHZDGSA-N 433.509 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C1CC1 1722295943 ZAGLEHKSUYCOIX-HZPDHXFCSA-N 429.594 2.179 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722339387 ZQXAGXZBDMVXNW-UHFFFAOYSA-N 436.564 2.480 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1C 1722384368 VNPMBWZIKZJUKD-LJQANCHMSA-N 426.542 2.031 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C(C)C)CC1 1722434891 ZFVPIQJUFXLNIL-UHFFFAOYSA-N 432.931 2.265 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCCCC)CC1 1722437253 BIEQRFZLYBESBP-UHFFFAOYSA-N 432.532 2.113 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1722457498 DVTQJGBNHFBAEM-QGZVFWFLSA-N 437.573 2.316 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H](OC)C1 1722463020 VUKMEHWEVBJJJS-JKSUJKDBSA-N 433.603 2.497 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C2CC2)CC1 1722538635 SCKOVTVSWPHBKP-PMACEKPBSA-N 447.580 2.044 30 10 IEEE CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723261330 TYCDVJYVEDSUFZ-VQIMIIECSA-N 439.564 2.293 30 10 IEEE CC(C)NC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1723641800 AHMLIALHTHBAJA-UHFFFAOYSA-N 443.939 2.126 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1723785897 KPWPMVKZNCNFJK-BVZALQNUSA-N 438.532 2.245 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1724018264 QDCJDNZTURJWBG-IERDGZPVSA-N 430.459 2.353 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)Cc2ccon2)n1CCN/C(O)=C1/N=CC=CC1=O 1724599679 UMSSDDHORYBXLH-DQRAZIAOSA-N 447.499 2.328 30 10 IEEE CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)cc1 1728658890 CCCGDKPICPZEDL-LJQANCHMSA-N 436.541 2.457 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 1729765024 HPNVBIHQCQLQLK-KRWDZBQOSA-N 436.447 2.429 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730415404 RGLYBDNIQNZODV-BEFAXECRSA-N 426.521 2.063 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1CCN(C(=O)OC)CC1 1730762851 NHJVBANMNFRESE-GOSISDBHSA-N 434.541 2.017 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCc2ccccc21 1730875346 LTPRDDHHUHPQDB-UYAOXDASSA-N 440.548 2.184 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1731013179 CRDPJLFQCCKWQU-RZDIXWSQSA-N 446.552 2.473 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1740547738 AWJOSFQZYKGFIW-MRXNPFEDSA-N 447.543 2.192 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740628464 XWVGXXXUYXOKDA-RTBURBONSA-N 438.594 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCSCC1 1740653720 WBEDAZIMMPUQRI-UHFFFAOYSA-N 447.568 2.106 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)cc2OC)CC1 1740708367 NFSOTILRPXTPKO-UHFFFAOYSA-N 437.544 2.262 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1740897329 CJENWFPNYMSXJT-UHFFFAOYSA-N 448.531 2.188 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1)C1CC1 1740910662 HZNHMEPCFKUBQL-GOSISDBHSA-N 429.546 2.248 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC(C)C)CCO1 1741103352 BPLKLIZSMVHDJP-OAQYLSRUSA-N 440.548 2.363 30 10 IEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1741172690 HRLXBUPUXOAHPA-LEWJYISDSA-N 438.576 2.309 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1748104549 JRRBAFWJXPBCBC-AEFFLSMTSA-N 432.532 2.094 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1748804725 KIEYCOBLTIZEQV-INIZCTEOSA-N 442.463 2.355 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1748805151 PALKHPJFXFBAEH-CVEARBPZSA-N 431.562 2.333 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748812359 UBCMOWCBICOVBO-LJQANCHMSA-N 444.605 2.166 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc2c(c1)OCO2 1748941070 WJZXIAFRWKZKSD-JXFKEZNVSA-N 428.489 2.269 30 10 IEEE C=C(C)Cn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1749207447 KSHLDGNYBAVENS-FQEVSTJZSA-N 433.582 2.383 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749278107 RRRRYPLPLFOIOO-FQEVSTJZSA-N 447.031 2.497 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)CC1 1749286735 QFLQOXUXNKEJQX-CYBMUJFWSA-N 433.563 2.098 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1749703403 HWAHKJXZCXLSKP-INIZCTEOSA-N 434.422 2.277 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1751431889 PBFCYFJOQMNGQC-LJQANCHMSA-N 446.515 2.077 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(N)=O)c1 1760122103 XAZTZUDOTUQJOJ-KRWDZBQOSA-N 427.512 2.316 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760141349 RBLHYMROUQRBLK-HSZRJFAPSA-N 425.581 2.244 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1760181977 GAVIPBYEUIELNR-VGSWGCGISA-N 448.589 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C(C)C 1760196445 NYHKTYAJWUJADV-JOCHJYFZSA-N 442.589 2.026 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnc(C)s1 1760227096 UVVOASNKYPEABN-UHFFFAOYSA-N 444.586 2.468 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 1760262379 NKCRWQZNPNWHLT-UHFFFAOYSA-N 438.473 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc([C@H](C)O)cc2)CC1 1760268721 WGYSPOWLLWHAIQ-KRWDZBQOSA-N 432.528 2.341 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1760285027 XORJBYRJSFHIGO-QFIPXVFZSA-N 428.558 2.240 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760286536 NQUWEPGXXNPOTN-UHFFFAOYSA-N 431.537 2.169 30 10 IEEE C=C(C)Cn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@]1(OCC)CCOC1 1760349337 IETSZZFEBVLGQB-QFIPXVFZSA-N 430.553 2.433 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1760403993 NUJVDSLXCMIPGP-GOSISDBHSA-N 426.569 2.221 30 10 IEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1760502820 NGGGWGNOXWGNSS-UHFFFAOYSA-N 438.532 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@@](=O)C(C)(C)C)C1 1760545032 MGBGAZZWTIMIQY-LHEBDHONSA-N 449.577 2.334 30 10 IEEE CC(C)n1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)O)c2ccccc2c1=O 1761192330 AHLOERPLGZAKMH-JOCHJYFZSA-N 439.495 2.449 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCC1 1761605758 GOPDRFYZOAMUTA-MRXNPFEDSA-N 444.609 2.381 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763903946 AUYVJYKMBVYLLC-QUCCMNQESA-N 438.580 2.106 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1763912173 FHWKKMRRWXBVTC-MSOLQXFVSA-N 428.537 2.325 30 10 IEEE CCCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1764082609 CPNFRAFYUKBDGF-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE CCN(CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1765258686 BSACZFUQAXGKRI-YLJYHZDGSA-N 426.521 2.250 30 10 IEEE CN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1767128536 ICOWZDCEYFKZLZ-HXUWFJFHSA-N 443.554 2.064 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1767630259 MMVOGRPUHUECLL-QFIPXVFZSA-N 438.463 2.472 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1771234285 PLWIJXWUSZMNHZ-OAQYLSRUSA-N 448.527 2.375 30 10 IEEE CSCC[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1772790753 UGGLHFPGEBUWAF-ZENOOKHLSA-N 430.482 2.038 30 10 IEEE CO[C@](O)(C=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 1848438732 AFBYZYSMDWGZQJ-QZTGTYOWSA-N 446.540 2.299 30 10 IEEE CC(C)[C@@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)N1Cc2ccccc2C1=O 1851536921 ZVQRVUGNCOWCSV-QHCPKHFHSA-N 447.539 2.299 30 10 IEEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N2CCCC(=O)CC2)cc1 1851672713 VNYBYOUMUQZHEQ-NRFANRHFSA-N 425.510 2.029 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3 1852687351 PJPRFZVSUSERLS-UHFFFAOYSA-N 433.394 2.034 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862690051 GPHXABNNJFEDNL-LJQANCHMSA-N 441.440 2.449 30 10 IEEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870143880 GNJVFRGJZJGXON-UHFFFAOYSA-N 440.423 2.030 30 10 IEEE Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)cc1O 1874299638 LFSSDHFYGUTHIW-LSFURLLWSA-N 427.486 2.345 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1Cl 1874433685 SQUDHTCMEWQRFY-NUGSKGIGSA-N 446.920 2.451 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCc3ccccc3)ncnc21 1875228167 CNWCRAIXQMPHJA-UHFFFAOYSA-N 434.544 2.022 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](N)C#CC1(S(C)(=O)=O)CC1 1902432982 YQDJUPLEKYJOHW-MOPGFXCFSA-N 436.574 2.395 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633550 OWCMSVBNZZAFPL-KRWDZBQOSA-N 434.342 2.142 30 10 IEEE CO[C@H](C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)C1CN(C(=O)OC(C)(C)C)C1 2060637062 GEDZOYUQJUFBBK-ZOBUZTSGSA-N 436.358 2.419 30 10 IEEE C=CCn1ncc(NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c(Br)c1=O 2106032186 GKTOQKVMLVOAFC-GFCCVEGCSA-N 431.331 2.222 30 10 IEEE CC(C)(C)OC(=O)NCC1(CO)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2232302593 VMQYTICGCPXFMD-UHFFFAOYSA-N 447.385 2.484 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCNC(=O)OCc1ccccc1 2243963793 WUARCVMQJFJVNE-UHFFFAOYSA-N 439.321 2.345 30 10 IEEE C[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247835720 PHTMRCWVDDPNMF-STQMWFEESA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2247862247 WZJSBWIMCISSJA-UHFFFAOYSA-N 437.371 2.245 30 10 IEEE CN(C[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCO1)C(=O)OC(C)(C)C 2254801681 KEXDPDHHFSMBSJ-QGZVFWFLSA-N 433.358 2.453 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255709508 XCDLPWZKUAXNFZ-VXGBXAGGSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255877728 MESFPVXHPIUTDM-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE C[C@H](C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2256673960 WZWGBDSRDATEGV-PBHICJAKSA-N 435.374 2.420 30 10 IEEE CC1(C)C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267097397 ODGBXZCYQQUWPH-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CCCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2267178511 DAWFJEHFJJIIOU-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2267236161 VKKRVCKYZWGRGX-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CN1CCC(N(Cc2ccccc2)C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2267500199 FFUOUDRGPAACMO-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC[C@]1(NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267510931 UEQDBYMPICDRCK-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2267518567 CSGRDYNROHJDKG-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)n1 2267529365 ZDYYQMIZEBBDSP-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2267562675 FWGMLAJEIDWVMN-QZTJIDSGSA-N 447.385 2.211 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268643560 KURHVZJDGPGCSY-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268706073 IUMZFODUMKVGCB-QAPCUYQASA-N 448.369 2.439 30 10 IEEE COCC[S@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282828620 RPYSTPDAUGNZLQ-VWLOTQADSA-N 443.805 2.134 30 10 IEEE C[C@H](CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[S@](C)=O 2282840809 JJJSLEMYTJXDNN-JUTIIYIPSA-N 441.833 2.136 30 10 IEEE COc1ccc(OC)c(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)c1 2329175766 LQADPYNTGOSUAZ-UHFFFAOYSA-N 441.513 2.376 30 10 IEEE Cn1cc(C#C[C@H](NN)c2cc(Br)ccc2I)cn1 2340586065 GLCBFTLJWFQHEL-ZDUSSCGKSA-N 431.075 2.343 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)Nc2nnc(C)s2)n[nH]1)c1ccc([N+](=O)[O-])cc1 20838008 LBQKZWHCXLQDKO-QGMBQPNBSA-N 433.479 2.440 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 111224174 ZCUPGTCKLQIJTP-SFHVURJKSA-N 426.970 2.333 30 10 IEEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(C)c3C)[nH]2)cc1 253560223 ANNVEMVYBDVKNT-AWQFTUOYSA-N 442.505 2.118 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 435125230 DHDJSPZAERRADE-LJQANCHMSA-N 435.576 2.424 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 460392110 XDPUJDRYNJYCOO-ZACQAIPSSA-N 443.639 2.298 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cn1 461283993 ODGJDKRUPYTXIG-UHFFFAOYSA-N 428.499 2.237 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2F)CC1 461802916 WHAVJVVRMIKCAN-CYBMUJFWSA-N 427.318 2.279 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 465276008 LAPJOQZZYHRKKX-PKOBYXMFSA-N 447.495 2.167 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3F)CC2)n1 476216075 JHAYMVBVHFVNIZ-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 478731044 DXDZTBBNTIDSRT-KRWDZBQOSA-N 448.548 2.004 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)C1=O 501821686 LKRGDLAABCSDAZ-INIZCTEOSA-N 437.456 2.157 30 10 IEEE COc1cccc(CS(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 522761603 DBFDAGANVHLCFA-UHFFFAOYSA-N 425.514 2.387 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541083897 HRGBFYKJYCLMSQ-UHFFFAOYSA-N 435.552 2.115 30 10 IEEE CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 545471356 FPDAEKBBXCOIDQ-UHFFFAOYSA-N 441.557 2.336 30 10 IEEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC(S(=O)(=O)NC2CCCC2)C1 547853334 CRRXLXUJWNQKFW-UHFFFAOYSA-N 429.464 2.313 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccn(Cc4ccccc4)n3)C2=O)cc1 556426538 BIXQDAYKJAGCGV-QFIPXVFZSA-N 428.496 2.403 30 10 IEEE CCOC(=O)C(C)(C)n1cc(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)cn1 558498594 AFRKJDQZQYRXSN-UHFFFAOYSA-N 431.522 2.172 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 563697204 RYFBGKIPRSSGGG-UHFFFAOYSA-N 448.470 2.238 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)ccc2OC)c1=O 570213446 GSFJFSWSTCSXBM-UHFFFAOYSA-N 444.528 2.356 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 603789004 MZKYJOBRFSZURL-UHFFFAOYSA-N 437.471 2.303 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)CC1 607057129 QNCLLXAGHJTCCI-UHFFFAOYSA-N 427.549 2.119 30 10 IEEE N#Cc1ccc(CNC(=O)CNC(=O)c2ccccc2I)c(F)c1 609241049 KYKNNLPLUUWIRF-UHFFFAOYSA-N 437.212 2.348 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 619569749 FTFHKGFDHBZVRV-QGZVFWFLSA-N 429.402 2.426 30 10 IEEE Cc1csc([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 727949407 RHFCFARBDQOLFF-OETDOYICSA-N 449.558 2.080 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1 729250700 HVKDJBVWNCDTHO-KRWDZBQOSA-N 429.517 2.256 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c(C)c1 730143781 VHTSBDOEGHZGFP-PKOBYXMFSA-N 432.590 2.482 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CSC3CCOCC3)c2)CCN1C1CC1 734954986 NMVPRXIGHVTVGU-LJQANCHMSA-N 428.558 2.236 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 739049519 PHKUEBOWODWJSQ-WTEWXXSUSA-N 449.577 2.445 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CC(=O)NC1CCCC1 746694288 VCLPWGBUKYRBMK-GOSISDBHSA-N 439.541 2.217 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)ccc1F 756133398 IZHHYOOIINZYFG-CQSZACIVSA-N 429.477 2.362 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(CC)cc2)C1 760304741 LLHMVYLGVZFRJW-IAGOWNOFSA-N 431.562 2.120 30 10 IEEE C[C@H](CC(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 771636484 FYMGXCVQZIIKAX-KUHUBIRLSA-N 445.516 2.367 30 10 IEEE COC[C@H](CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1)OC 781104145 MJVMYKZGCNSVOQ-JKSUJKDBSA-N 447.492 2.237 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 794616149 JGJCPLNOJISVCQ-UHFFFAOYSA-N 435.505 2.099 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)CCC3=O)CC2)o1 796280376 WBMNDTMLBPAANY-KRWDZBQOSA-N 432.477 2.193 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 804186821 PLLAPXIPMXYUBJ-UTKZUKDTSA-N 443.610 2.462 30 10 IEEE CN(C)CCOC1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 807248977 HYPVZYUMAWWAOA-UHFFFAOYSA-N 440.569 2.472 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@](C)(CO)c2cccc(O)c2)cc1 808820127 VQLOJXKKSDHDNI-AZJLSSPBSA-N 446.529 2.234 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1 1083918170 OVSDGIBTDYLZNH-UHFFFAOYSA-N 433.444 2.456 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)cc1OC 1084344478 MWOKUUVGALORMZ-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 1132710581 GNGZFADAUARMEU-IRJFHVNHSA-N 446.550 2.499 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1136603741 JIAQVHQIYYMJSS-KRWDZBQOSA-N 444.582 2.198 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1157495381 AKTWPONZFWGRHC-IAGOWNOFSA-N 431.599 2.366 30 10 IEEE CCc1nc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nn1-c1ccccc1F 1161802458 WVYJIYYVYQCRCT-UHFFFAOYSA-N 437.431 2.487 30 10 IEEE C=CCCC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1167744747 OZUGBGHDHZRPCB-UHFFFAOYSA-N 439.553 2.300 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4sccc4C#N)C3)[C@@H]2C1 1175428659 RKMXGUJFMPZYKE-KFWWJZLASA-N 432.502 2.274 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)C(=O)OC 1191201260 KQMNVBVKMJURNL-LBPRGKRZSA-N 429.317 2.416 30 10 IEEE C=CCN(C(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)[C@@H]1CCS(=O)(=O)C1 1208565444 GGTQUTDCZKIOSR-GOSISDBHSA-N 429.546 2.106 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Br)cc3)C2)C1 1248676724 QMHJCOUCBAUVGL-GBESFXJTSA-N 448.361 2.445 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)ccc1OC 1265124810 AWHABCFUWWEAHE-FUHWJXTLSA-N 425.489 2.169 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3COc4cc(F)ccc4C3)CC2)cc1 1279886128 HFJXUYQCTVOGHQ-LJQANCHMSA-N 443.500 2.218 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286284480 CUPHMHYGKNKBGX-SFHVURJKSA-N 431.544 2.450 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286357431 JWFBLSYZPLSQCF-HXUWFJFHSA-N 439.560 2.438 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1286407769 QUKHRJLBKHEAKK-UHFFFAOYSA-N 425.577 2.278 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)N(C)C)c1 1286444195 SCIINLWZXHMEJM-UHFFFAOYSA-N 448.527 2.410 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1286481531 FBXMQOKWCJIGFZ-NRFANRHFSA-N 435.601 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286491467 SVSWXHOLICCSPK-SFHVURJKSA-N 446.596 2.356 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1286790778 OZXBISAJIIPGDV-UHFFFAOYSA-N 442.564 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(N)=O)c2)C1 1286805685 VXPIATWKHWWMRM-LJQANCHMSA-N 434.500 2.034 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 1293082611 OEDPOJQPBFFARP-MRXNPFEDSA-N 430.977 2.035 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1297725475 JJBMZHLZVMTLMU-UHFFFAOYSA-N 443.533 2.036 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1299369500 SZKVMAYPLXFQSP-LJQANCHMSA-N 436.516 2.122 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1299756794 PGCILCAUXSQOOI-GNDBUYPCSA-N 439.520 2.195 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)(C)C 1300306921 AHKKHTMKGXKWMM-KRWDZBQOSA-N 438.580 2.072 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300490037 XRIGITLIPWJVBV-LJQANCHMSA-N 437.525 2.024 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1300503404 CMYONGLIHFVXIQ-YQVWRLOYSA-N 432.521 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1300537814 GZNIMDQKDWSNPM-UHFFFAOYSA-N 430.961 2.420 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc2cc(OC)ccc2n1C 1300553648 NISXGOKELBXXHV-JTSKRJEESA-N 448.527 2.019 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2Cc2ncnn2C(C)(C)C)n1 1300681541 TUGIXSWTPSWDBZ-UHFFFAOYSA-N 437.552 2.033 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1300746167 QWXAQNXDWRQWFM-NRFANRHFSA-N 429.546 2.030 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1301258826 BEMXLGYAPSRHCD-UHFFFAOYSA-N 433.484 2.477 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1301349063 JUOUXNUHJAVGHO-JOCHJYFZSA-N 438.576 2.139 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1301496952 KPVKAAOSFRDDAE-UHFFFAOYSA-N 434.460 2.115 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1301502470 IXDDNZGPBSERPK-OAHLLOKOSA-N 431.541 2.253 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301513856 ALOKMXIWYICUCE-VSOVRNOCSA-N 425.533 2.065 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302146875 XWXQVLPPCSBJED-IESBNPPRSA-N 442.564 2.400 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1306042666 FOIKFOLNUQSRRY-HNNXBMFYSA-N 434.548 2.423 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(F)(F)F)CCO1 1316535221 GPZHPZKGGXGGAC-CYBMUJFWSA-N 428.802 2.153 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)Br 1359027859 YHOHIIBKXUJQKT-STQMWFEESA-N 437.285 2.076 30 10 IEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC(C)C)CC1 1359034400 PEXBTBKJVNIITJ-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(C)C)C1 1359092327 ZMZUTVOSQROASD-FJIDUMEYSA-N 425.599 2.352 30 10 IEEE C=C(C)COCCn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1C(C)(C)C 1359136614 PNAVPFHLZROLDA-UHFFFAOYSA-N 427.615 2.467 30 10 IEEE C=CCN(c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O)C1CC1 1359253523 JMEDZVZJOSEMDB-UHFFFAOYSA-N 435.525 2.187 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1359331626 DSIHCCHWDGFFFQ-MOPGFXCFSA-N 438.594 2.373 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc3c2OC(F)(F)O3)c1 1434896179 SSTCKROCJFVWTI-UHFFFAOYSA-N 428.391 2.495 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)c1OC 1435826648 POCBKYBPVWDZJY-INIZCTEOSA-N 427.457 2.202 30 10 IEEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1438314412 ZLHXKFAMXDDSCI-GOSISDBHSA-N 442.493 2.347 30 10 IEEE C#C[C@@H]1COCCN1S(=O)(=O)c1c(Br)cc(F)cc1Br 1463857003 CPYRCTULCQBAIC-SECBINFHSA-N 427.089 2.373 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1465073968 DTGOPSDZGWFYCG-FXAWDEMLSA-N 436.516 2.438 30 10 IEEE CN(C)C1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)nc2)CC1 1465801815 IULFGBHKMOJYBC-UHFFFAOYSA-N 445.520 2.301 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 1467943500 IYVXIHMGKGOOKC-QHRIQVFBSA-N 428.917 2.002 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)cc1 1469730780 YUQCXFVAHZXHNU-GJYPPUQNSA-N 429.521 2.332 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C 1479535211 JHOIAYPDJXBJOJ-QGZVFWFLSA-N 428.447 2.239 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1492359242 HQJQMWXTVQIHSG-UTKZUKDTSA-N 447.536 2.432 30 10 IEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1503970728 GJFVNKYFDUEAJO-HXUWFJFHSA-N 433.516 2.144 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2(=O)=O)CCO1 1505321990 GQSJKGAGCJXVEH-HUUCEWRRSA-N 435.937 2.295 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1507533490 MWOUVJCWQCVAAJ-OAHLLOKOSA-N 444.586 2.455 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CCC1)CC1CC1 1507587997 DBXVMXNGQQMNFQ-LJQANCHMSA-N 435.594 2.041 30 10 IEEE C#CCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507600002 WESIWEAWICDKFG-XMMPIXPASA-N 445.608 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1507655991 BEBNGYMZBPACPK-LJQANCHMSA-N 434.519 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncccc1N(C)C 1507661005 JSQJRWQNNZVHMJ-DEOSSOPVSA-N 436.560 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCOCC1 1507669002 PYIBUCOZTUIALD-UHFFFAOYSA-N 435.528 2.248 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1507772264 NQJULCVBRBNQNH-XMMPIXPASA-N 446.511 2.400 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1508023992 GSMGABXEEWYCMM-FQEVSTJZSA-N 445.589 2.053 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCC1 1508038442 QKOFWAGWYAGQHI-UHFFFAOYSA-N 448.545 2.280 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)C1 1508119364 ZMLBMAYGGSJYPQ-NQIIRXRSSA-N 427.549 2.456 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1509965348 MEZOYHMIVVSEQE-ICPLQIHGSA-N 438.532 2.245 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1(C)C 1512284957 HPQZZRDTFALVBB-KSFYIVLOSA-N 443.573 2.239 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-n3cnnc3)cc2)cc1 1516306592 DZTPXIXJABGGRW-QQTULTPQSA-N 438.513 2.261 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1516872977 PERXFTYLBKBKBN-RQZFFVEVSA-N 442.589 2.139 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1518060399 ZTJFMGPKVUZWBF-VZCXRCSSSA-N 438.488 2.089 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1521128587 FASKGUXMZYQXHE-SJLPKXTDSA-N 449.964 2.076 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)c1nccs1 1532066593 FXDWYCZSTBNNCR-UHFFFAOYSA-N 428.333 2.436 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1534146800 SKXIBMTWEIAXQK-ZDUSSCGKSA-N 429.336 2.002 30 10 IEEE C#CC[C@]1(C(=O)Nc2cccn(CC(=O)OCC)c2=O)CCCN1C(=O)OC(C)(C)C 1535665022 JTKODCVGRLKNIZ-JOCHJYFZSA-N 431.489 2.143 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1537399860 PMHQMHYPGUAJHU-VLIAUNLRSA-N 432.318 2.478 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1539085561 NCCBBRPWNMNKGJ-UHFFFAOYSA-N 426.565 2.156 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC1CC1 1539179763 RNRMSCHWMKAKLU-GOSISDBHSA-N 433.553 2.473 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539210416 DXEVMLGCTJZUBI-DLBZAZTESA-N 432.521 2.138 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1C 1539350762 YFPIHVNMMLKBJH-IEBWSBKVSA-N 445.589 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C1CC1)N(C)C 1539405871 OTKPIPLNPACTCX-LJQANCHMSA-N 425.533 2.143 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539633200 XDIPETJXSCDSDD-TZNCUMHOSA-N 426.583 2.021 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1539643260 LUDYMONJYGSJMF-QUCCMNQESA-N 437.610 2.074 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1541984922 FZCBZLVQWRHOJD-YESZJQIVSA-N 431.468 2.091 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1 1544918224 YEZKBPOZNNSIEM-UHFFFAOYSA-N 429.473 2.175 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1546286926 VRYKABMCWHKUGF-IBGZPJMESA-N 430.350 2.449 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1554188597 PUUNRZUIXHZCNN-UHFFFAOYSA-N 428.456 2.153 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cn1 1554330086 HPAGEZAURCPCGW-IBGZPJMESA-N 431.566 2.166 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1554567797 CVCVNTAJXYXXMX-GDBMZVCRSA-N 446.533 2.003 30 10 IEEE N#Cc1cn(C2CN(C(=O)CN(Cc3ccco3)c3cccc(Cl)c3)C2)c(=O)nc1O 1558805513 PBYLARAXEXEWIJ-UHFFFAOYSA-N 439.859 2.157 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)CC1 1560107733 AOAOXBNHQJPYAX-UXHICEINSA-N 435.613 2.400 30 10 IEEE C[C@]1(C#N)CN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCO1 1560182272 GYCKTTKRKNVPCT-IBGZPJMESA-N 440.953 2.068 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOC[C@H]3[C@H]3CCCC3=O)C2)C1 1567478817 PKASCUBZPNZBKB-WEDVLIDFSA-N 431.533 2.370 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)cc1 1586914090 QADFDAYBODAMAD-UHFFFAOYSA-N 433.434 2.191 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)c2nccs2)CC1 1588929558 CUOUDBJTAWQERY-FUHWJXTLSA-N 442.589 2.398 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C)c1ccccc1 1594533307 BDLBMZWMDJJNEZ-YQVWRLOYSA-N 433.578 2.473 30 10 IEEE C=CCCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1594775975 ZOAVGZRBXDPFCM-KRWDZBQOSA-N 425.599 2.173 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1596702490 ASJMVVZSORABNE-UHFFFAOYSA-N 436.438 2.237 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1598210797 IPTRBORRMMDSKB-QHCPKHFHSA-N 432.532 2.340 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1616923984 LQCDCHYXXJHJLT-HXUWFJFHSA-N 426.569 2.200 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1619544046 DMWOBZKLILGHOS-CEWLAPEOSA-N 441.532 2.395 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1619589267 AISANFJZQZHZCH-SFHVURJKSA-N 441.532 2.397 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1620162065 GOHNFFFDECVLMQ-UHFFFAOYSA-N 449.540 2.335 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1623659104 KOPBVTJGJDIMRW-JQHSSLGASA-N 442.375 2.197 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN(C3CCOCC3)C2)cc1 1625218570 HTJUWGVTIAHBDG-DARPEHSRSA-N 448.589 2.329 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@H](C#N)CCc2ccccc2)CC1 1625623385 HIDGFUGXZQYAGW-IBGZPJMESA-N 428.533 2.392 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1628214595 UNILCOWFDZJBKV-GFCCVEGCSA-N 426.395 2.460 30 10 IEEE COC(=O)[C@@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(O)cc1 1628303332 ZHZPOKGMXIEBCB-LJQANCHMSA-N 444.528 2.491 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1F 1628370592 WZSORWWKRQQXPP-CQSZACIVSA-N 441.868 2.308 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1628733383 YLCYAKGCABUUKM-QGZVFWFLSA-N 444.488 2.186 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1630300932 SZVIJGXUMJLJCU-XCJXAGMVSA-N 446.500 2.182 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1630904704 JAIUPSBJKHZKSU-UHFFFAOYSA-N 430.486 2.063 30 10 IEEE CCS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 1634104734 JEURLGWCWZEKJQ-UHFFFAOYSA-N 441.303 2.292 30 10 IEEE N#Cc1ccc(OCC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1Br 1634428883 CNZAUSCABPWSQR-OAQYLSRUSA-N 444.329 2.453 30 10 IEEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OCC 1635699238 RSNCZWKFHCDFKX-CVEARBPZSA-N 428.576 2.471 30 10 IEEE COc1ccc(-c2cc(CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)on2)cc1 1636804280 HSJYCRYWYDFLFF-OAHLLOKOSA-N 433.472 2.432 30 10 IEEE COC(=O)C[C@H](CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C1CC1 1636936526 RIUIUJZZOMORKD-OAHLLOKOSA-N 442.495 2.286 30 10 IEEE O=C(Cn1c(S)nnc1-c1cccs1)N(O)CCCN1C(=O)c2ccccc2C1=O 1639049781 KRYHAMWNEKBHNV-UHFFFAOYSA-N 443.510 2.199 30 10 IEEE Cn1nnc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1C(F)(F)F 1639989932 PPSYZXMOPYNVLQ-UHFFFAOYSA-N 430.394 2.058 30 10 IEEE COC1(OC)CCOC[C@H]1NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1640954591 SDMMMWWLBVEVPH-MOPGFXCFSA-N 445.516 2.287 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c([N+](=O)[O-])c1 1643438224 LHENQDCCEOQVAS-GOEBONIOSA-N 438.506 2.155 30 10 IEEE COCCOC1CCC(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)CC1 1648749779 CGZZDTAVFHECCS-UHFFFAOYSA-N 426.311 2.391 30 10 IEEE N#Cc1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1F 1654913458 NGQDKIBCKIDJSH-UHFFFAOYSA-N 426.376 2.395 30 10 IEEE CCC(=O)c1cccc(C#N)c1OCC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 1656805140 HYBFOIQTDIERKJ-HNNXBMFYSA-N 430.486 2.033 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)nn1 1665450929 DJTNULXIVWJUDQ-UHFFFAOYSA-N 447.286 2.021 30 10 IEEE CC(C)(C)c1ccc(N2CCC(NC(=O)NCCn3cc(C#N)c(O)nc3=O)CC2)cc1 1667389673 FILFGTVJWHRBRK-UHFFFAOYSA-N 438.532 2.086 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@H](c2ccnn2C)C(C)C)c(C#N)cn1CCOC 1668605427 BVAOYMFRGBVNQN-INIZCTEOSA-N 430.509 2.478 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1680723802 ZCEUUAOKPKMCFR-MRXNPFEDSA-N 434.475 2.328 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](NC(=O)c4ccccc4)C3)C2=O)cc1 1680779453 XXCYKGRIDYYYDH-FCHUYYIVSA-N 445.523 2.263 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)CC2)cn1 1683315900 CUVOWIKWICEGHY-SFHVURJKSA-N 442.882 2.383 30 10 IEEE C#CCN(C(=O)N[C@H]1CCO[C@H]1c1nc(C)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1687221557 OQYXJOXQFFIXOD-DLBZAZTESA-N 433.509 2.252 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1occc1C 1689831486 LSTCORKRFHBEJG-MBSDFSHPSA-N 443.548 2.498 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCCOC)c1 1689851641 TXADZVFJZIXLHC-HKUYNNGSSA-N 446.573 2.102 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)CC1 1690113782 UUZGIYCDAOHXDC-UHFFFAOYSA-N 447.381 2.486 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690185618 BIYXWZVAQMFPHH-DENIHFKCSA-N 433.622 2.361 30 10 IEEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690455403 HPYWXGDRFWCULI-KRWDZBQOSA-N 428.924 2.102 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NCC 1690559787 JYSQCPQKCHIZPZ-IBGZPJMESA-N 449.559 2.456 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1690670495 CSJKNQBFHVYTTG-INIZCTEOSA-N 429.546 2.245 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690675774 DZAUATHOVNAYCM-PWRODBHTSA-N 439.560 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CN2CCCC2)C1 1690685279 ZJLIQNAZENLIMX-LJQANCHMSA-N 430.597 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCOCC2(CC2)C1 1690719220 ILRVQUHLGRIKDV-UHFFFAOYSA-N 432.546 2.171 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)n1 1693326380 DBDZJRUTRVENGJ-INIZCTEOSA-N 437.529 2.244 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1697733147 VURWEDPRDLPXKT-IEBWSBKVSA-N 438.532 2.116 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1705524780 SCCAMEJSIREQPX-JTSKRJEESA-N 443.573 2.328 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1705531743 UWIJYCLMUUXING-MRXNPFEDSA-N 435.532 2.349 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccsc1 1705574564 HDQJGIHCNVAITH-FGZHOGPDSA-N 428.558 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O 1705602289 PDKGGRUWSZXDRC-HXUWFJFHSA-N 444.532 2.426 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)cc2F)CC1 1705632669 YAPJRIKHENFOEM-UHFFFAOYSA-N 442.539 2.148 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1705656754 HYZIEYNPVWPWFC-UHFFFAOYSA-N 448.570 2.054 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(CC)c1 1705695835 ZMIHVUJHENYGBE-MOPGFXCFSA-N 427.553 2.348 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705709757 SBOJUCBGODKIBU-NNMXDRDESA-N 433.597 2.485 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705831678 ZKCPFSYWQCMXQR-HXUWFJFHSA-N 432.550 2.257 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1705835282 GCKQFIIYICPZNW-KRWDZBQOSA-N 425.331 2.212 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCCO1 1706073817 RGKVPYVGPPDPEY-HOTGVXAUSA-N 430.509 2.187 30 10 IEEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1708332463 NCFGHVFYKKXRHQ-YBGRJSDGSA-N 425.533 2.487 30 10 IEEE CCc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709129137 PJJKMNVKTNAUSA-XQDODVJUSA-N 436.516 2.335 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1711246971 FLDMNUNJPJFNGH-KRWDZBQOSA-N 448.522 2.165 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722385126 ALLUFUWWZUJQPT-RTWAWAEBSA-N 443.617 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNc1ccccn1 1722387913 RFSULHDAOMPRIG-UHFFFAOYSA-N 428.500 2.286 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CC(F)(F)C1 1722421679 RPSJLFOWMJQNFD-UHFFFAOYSA-N 438.500 2.480 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722482239 GOYNTWYUZINLNZ-HZPDHXFCSA-N 437.342 2.101 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1722530835 YXZNJMDJDUXHFA-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)CC1 1722580663 FMLHLSDXSGXDHX-OALUTQOASA-N 435.594 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@H](CC)C1 1722694704 FJFJLGAEYKXTAE-DOTOQJQBSA-N 427.505 2.022 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(C)C1 1722729948 CCVZIFGHOIHFMW-UHFFFAOYSA-N 435.575 2.027 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1723637720 ZHSHHCVCLPZTNR-SFHVURJKSA-N 438.532 2.321 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCC2)c2ccccc2c1=O 1728639888 HIUPCRLKIQFALT-KRWDZBQOSA-N 434.548 2.367 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1729667683 RSTUTXCYFKJCOC-AWEZNQCLSA-N 425.518 2.109 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1729692322 OTASNVDMIKEXSQ-UHFFFAOYSA-N 442.589 2.285 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](OC)c1ccc(F)cc1 1730876284 NKPRNVGOEBPQQH-LZQZEXGQSA-N 433.484 2.258 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1730887510 GHHKGHMGBGPLCT-JOCHJYFZSA-N 436.520 2.277 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1740554911 XMEUCZQZWKVUMF-SJORKVTESA-N 430.553 2.153 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(CN2CCOCC2)CCCCC1 1740559212 YXHJGSKKFMKJEC-FQEVSTJZSA-N 442.608 2.141 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1740578467 BHCYJWSALPBXAI-UHFFFAOYSA-N 436.560 2.401 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1740645018 COHJJTKVEMXLGS-QZTJIDSGSA-N 432.590 2.094 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOC2CCOCC2)CC1 1740692715 LOXYQAAZWYOINM-UHFFFAOYSA-N 439.560 2.295 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740867754 UVNMWSHLYXOLPL-QZTJIDSGSA-N 425.537 2.049 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740877500 BUPHNEKADFZWPJ-LJQANCHMSA-N 432.594 2.338 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(c2ccnn2C)CC1 1740962906 SBGATXCLIPDDFE-UHFFFAOYSA-N 449.559 2.319 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@]1(OC(C)C)CCOC1 1740965693 RMMNJROOGGJELD-QHCPKHFHSA-N 438.532 2.129 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 1740967914 UKZKTEUSSWWHNK-HSZRJFAPSA-N 438.532 2.268 30 10 IEEE Cc1ccc(C)c(N2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 1742163661 PQOCAWPLGOJTBB-DQRAZIAOSA-N 435.532 2.056 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC=CCO3)CC2)c1C#N 1742670138 XGCGYODCARXVEC-SFHVURJKSA-N 438.580 2.452 30 10 IEEE CCN(CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1746319714 BRGYERZBZCIDCO-MRXNPFEDSA-N 427.509 2.326 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCCN2CCC[C@H]2CO)cn1 1748008952 VZSXIKARKMISKW-IBGZPJMESA-N 426.569 2.046 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748709019 NKINJTROULHOGQ-UHFFFAOYSA-N 436.516 2.278 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1748757448 CITARMWGTLPYKQ-HXUWFJFHSA-N 430.574 2.499 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749038862 MJCNTLRDHAMXFL-SFHVURJKSA-N 443.573 2.321 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1749247475 PMUWEJTUMLXXME-UFYCRDLUSA-N 446.573 2.339 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1749440933 UQBQRVSBWWJTIM-UHFFFAOYSA-N 429.484 2.142 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1)C1CC1 1749508778 ZRTCGPVJFHFRCL-SCLBCKFNSA-N 425.580 2.012 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N1CCOCC1 1749593884 BOIALIBOHBDINY-UHFFFAOYSA-N 437.903 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1749663384 CJHXKAILYXEUTL-IBGZPJMESA-N 435.532 2.294 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)C[C@H]1C 1749898599 IDNWNAPZLAOFGN-OAHLLOKOSA-N 438.454 2.448 30 10 IEEE N#Cc1ccc(-c2nnc(N(C[C@H]3CCOC3)C3CC3)n2CC(=O)NCC(F)F)cc1 1750381681 ALJJREIPLZMRIF-OAHLLOKOSA-N 430.459 2.203 30 10 IEEE Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)n1 1751628481 BLEIGTARYSTZFY-DYESRHJHSA-N 445.593 2.355 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760190178 TVXQLDOZRUIWKY-AWEZNQCLSA-N 429.468 2.253 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1760210626 RTNYFYUKEUVEOY-HTAPYJJXSA-N 426.542 2.192 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1C 1760252311 DBBOBFDAMKUEAL-DLBZAZTESA-N 431.562 2.028 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CC1 1760276083 SFYNEGVNESHBKT-UHFFFAOYSA-N 433.603 2.408 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC=C)cc1 1760288585 GSMPLMISKQADPW-HTAPYJJXSA-N 443.573 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCOCC1CCOCC1 1760296942 AOAWDDPKXRMZDE-HSZRJFAPSA-N 429.565 2.226 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760360833 BJQHEAUREOVAKA-QGZVFWFLSA-N 443.504 2.099 30 10 IEEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760378987 DQTAEQUKYJEIJO-UHFFFAOYSA-N 430.984 2.462 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760436441 BDJDYKGILWSWEU-UHFFFAOYSA-N 440.548 2.494 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760449609 OOUGCSFXYBEPAT-WOJBJXKFSA-N 436.516 2.271 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1760495192 HPKDSDZVSADWAE-GOSISDBHSA-N 444.557 2.452 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cncn2)C1 1760534753 FWXZXCCCFFNHEG-IBGZPJMESA-N 436.520 2.220 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CCC 1760554135 SJIVXUABIPGARI-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC=C(Br)C1 1760558989 HCBZSAJSFRTFFM-CQSZACIVSA-N 431.356 2.219 30 10 IEEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC[S@](=O)C(C)(C)C 1763095358 BNNGVPAIEKVVKC-HKBQPEDESA-N 445.593 2.451 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1764682168 UNFIXVJPWVYXHT-KSFYIVLOSA-N 445.568 2.267 30 10 IEEE CCCCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1765726064 WGZVVRWLNGAQHR-QURGRASLSA-N 448.531 2.279 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1766918711 BPNLPXTWRWCMDK-QUCCMNQESA-N 435.576 2.367 30 10 IEEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1768519299 SOBHIFUCAIEHKS-JOCHJYFZSA-N 447.543 2.368 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCSC2)cc1 1768733145 CZXOZFSIAVLYBZ-VQTJNVASSA-N 433.509 2.176 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)C1 1769199346 FEYBANFYHGMVHX-SFHVURJKSA-N 434.504 2.103 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCCN2CCOCC2)CCO1 1771536361 QHYGZYKZBVYEFF-LJQANCHMSA-N 430.940 2.440 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)ON1C(=O)c2ccccc2C1=O 1772791685 CQDQSLVIQJQUHL-JTQLQIEISA-N 442.371 2.127 30 10 IEEE N#CCCN(Cc1ccccc1)C(=O)c1cn(CCN2C(=O)c3ccccc3C2=O)nn1 1853321139 PLCDFHUIMRFNEW-UHFFFAOYSA-N 428.452 2.130 30 10 IEEE Cn1nncc1CN(C(=O)c1ccccc1OCC#N)C1CCN(CC(F)(F)F)CC1 1853588949 HYSPSIASWIJXOM-UHFFFAOYSA-N 436.438 2.387 30 10 IEEE CC(C)(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O)c1ccccc1 1853952728 GURPNEFJGYRSFE-UHFFFAOYSA-N 425.510 2.286 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CC(Cn4cncn4)C3)CCC2=O)c1 1854955272 NICGAEKISINUDN-INIZCTEOSA-N 426.908 2.008 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856721071 HFNQTPGIZJNYPE-OALUTQOASA-N 428.920 2.256 30 10 IEEE COc1ccc(CCC(=O)N2C(=O)CCN(S(=O)(=O)CC#N)c3ccccc32)cc1 1856920022 ABFOSSICZCYUFS-UHFFFAOYSA-N 427.482 2.251 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC3CCC(F)(F)CC3)C2)CC1 1857043167 LMYNDBXHIBMIJG-MRXNPFEDSA-N 431.505 2.142 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCOC(C)C)c(C(=O)OCC)c1C 1860760839 FKZBYPHBZZFRNW-UHFFFAOYSA-N 440.518 2.446 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(C)C 1869011939 MJDYOCREEAWYHR-QFIPXVFZSA-N 428.577 2.402 30 10 IEEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871508393 ZZRVKXJORIBCKQ-UHFFFAOYSA-N 431.566 2.321 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1986128335 PSPOYXUFGFBNAE-HRCADAONSA-N 427.542 2.332 30 10 IEEE CCC[C@@](C#N)(Cn1cnc(I)c1I)NC 1995387564 YNFCETIMUHVYFX-SNVBAGLBSA-N 444.058 2.374 30 10 IEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224081691 QQEPAZSNRAGBKE-SJORKVTESA-N 433.358 2.499 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1NC(=O)OC(C)(C)C 2247920471 YZQCEWDZABLXBT-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255617915 FKDKKCNGCWMTNJ-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE Cc1c(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832827 SBJZFYJPNAEAJX-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256624321 VIGITOLRXHQNSL-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N(CCCC(=O)O)Cc3ccccc3)nc2)OC1(C)C 2256924994 QNPVGBUYWVVCGO-UHFFFAOYSA-N 425.294 2.283 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267163174 UYWYHSFWPCRIQF-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267182497 AAAWVNTWUUIZPK-SFHVURJKSA-N 438.381 2.456 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267504513 TWVHITYSOYKRRH-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267505354 HCERQTYMYUGXQJ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2267509819 AZDDEQNIYYBINE-UHFFFAOYSA-N 444.259 2.418 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267522497 VRESUHVHYYJGGG-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)[C@@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267873137 NQWLFQPOSQRSTE-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268654985 GPPLKKPZDNDVOE-UHFFFAOYSA-N 447.341 2.345 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268794626 URQVXVOHXZIJQA-SFHVURJKSA-N 448.369 2.220 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@H](O)C#Cc2ccc(Br)cc2)C1 2278804407 XVQKGPSRHZXVPX-CVEARBPZSA-N 444.347 2.196 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2300340059 NGYRNHNBWRXAKD-STQMWFEESA-N 435.355 2.037 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1F 2330794733 UUHUPPNPVWBQOM-UHFFFAOYSA-N 440.504 2.344 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)c1 20292005 XUBOKOKSRSRYMR-KEBDBYFISA-N 427.446 2.330 30 10 IEEE Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1N 20527360 SBAMHHIVEFXDSN-AWQFTUOYSA-N 442.461 2.091 30 10 IEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)cc1 20807054 XSDNJWIGEYQNAM-FSJBWODESA-N 425.518 2.163 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccco3)n[nH]2)cc(OC)c1OC 20909468 SZPJUUXXPSSIKE-ZVBGSRNCSA-N 446.489 2.278 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(N(C)C)cc3)n2)s1 59005303 VDGFWEISCIMDPJ-GIJQJNRQSA-N 431.551 2.461 30 10 IEEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(S(N)(=O)=O)cc4)CC3=O)n2)cc1 170180085 YUJTWQJRNMORSX-UHFFFAOYSA-N 426.523 2.483 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCC#Cc1cccc(C(F)(F)F)c1 440082919 VKQSSKXELLEMGE-VQHPVUNQSA-N 438.402 2.192 30 10 IEEE CN(CCN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1)Cc1ccccc1 462086359 WFNMKNGTVPNIDE-UHFFFAOYSA-N 444.543 2.420 30 10 IEEE Cc1ccc(O[C@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 466163874 KGWAMILKMYPVRG-GOSISDBHSA-N 442.541 2.350 30 10 IEEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)cc1 490072210 AMBXKLKPTAJNOL-UHFFFAOYSA-N 433.468 2.305 30 10 IEEE C=CCCc1ccccc1NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 505035014 JPDMKCXLJDALPZ-UHFFFAOYSA-N 443.573 2.474 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC(C)(C#N)CC2)c([N+](=O)[O-])c1 507828166 UNECLLUTBWHVPH-UHFFFAOYSA-N 438.506 2.156 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2OC)CC1 508856498 KZLBTYJBLNVCPI-UHFFFAOYSA-N 447.543 2.219 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 508951104 LPRWBPXZIBYCEH-LJQANCHMSA-N 431.562 2.439 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N3CCN(c4ccccc4C#N)CC3)cn2)CC1 510179741 BZSOXHKLBZRVGS-UHFFFAOYSA-N 433.560 2.127 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)CC1 522743466 UAOYCNUDGJNJHN-WATLYSKOSA-N 425.573 2.491 30 10 IEEE CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(C#N)cc1 539231816 VZZZHLRTAGKLPJ-UHFFFAOYSA-N 428.919 2.114 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](c3nncn3C3CC3)C2)CC1 539452158 RPXDWLZAKWZVGF-PKOBYXMFSA-N 439.589 2.263 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 549705389 CGPSQYTVZJNBGK-GOSISDBHSA-N 427.553 2.491 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 572810043 NOQPAZFYQGYRPZ-MAUKXSAKSA-N 449.552 2.450 30 10 IEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 619105798 MFYCURQFZWFSEL-INIZCTEOSA-N 439.903 2.317 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CCN1C1CC1 732664212 LWWKYFGBHUURDK-QGZVFWFLSA-N 428.489 2.439 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)cc1 737866771 JCSLHEFSMSRJKS-QZTJIDSGSA-N 441.553 2.460 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 739049515 PHKUEBOWODWJSQ-CGSNMOMZSA-N 449.577 2.445 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 743908947 MJFRQOCZGQNAJQ-KXBFYZLASA-N 441.532 2.410 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccn(C)c2)C1=O 748096255 TWVQCVJELFROQW-SFHVURJKSA-N 431.537 2.364 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](COC)C2CC2)c1 749819801 WTCSEYGPAZOHAB-VQTJNVASSA-N 442.585 2.092 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 754941356 LRBPHUHMEUIPTR-KRWDZBQOSA-N 430.505 2.057 30 10 IEEE Cc1nc(=NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)n(-c2ccc(C#N)cc2)[nH]1 759470954 ZQGVQAFLHJWIOX-UHFFFAOYSA-N 431.424 2.259 30 10 IEEE COc1ccc(CNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N 760826877 YIOPDGKSPKMWAQ-QGZVFWFLSA-N 430.505 2.089 30 10 IEEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 767695815 FTENRLQOECHREC-ZDUSSCGKSA-N 434.967 2.380 30 10 IEEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cc1 774277026 DYMQUKAFEQNWHM-SFHVURJKSA-N 434.606 2.409 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1-c1ccccc1 782923505 YBLYHADWHPOYBG-UHFFFAOYSA-N 438.512 2.252 30 10 IEEE C[C@@H](OC(=O)c1n[nH]c2ccc(I)cc12)C(=O)NC1(C#N)CCC1 787721035 MVMYOZJYMRPYRB-SECBINFHSA-N 438.225 2.275 30 10 IEEE COCCOc1ccccc1C=Nn1c(-c2cnn(C)n2)csc1=N[C@@H](C)COC 789968856 QTEFSGNTLLKASM-HNNXBMFYSA-N 430.534 2.188 30 10 IEEE COc1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCCc2ccccn2)ccc1O 789991510 QDMIEVSLSGMGBK-UHFFFAOYSA-N 435.513 2.480 30 10 IEEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 794645024 LQTPZXNNUNIHKB-OAHLLOKOSA-N 440.590 2.401 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 795243058 YJELNTUHPXHKHW-UHFFFAOYSA-N 436.493 2.028 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)[C@H]3Cc4ccccc43)CC2)cc1 795371613 PGNMAXULDVCWNG-NRFANRHFSA-N 438.505 2.411 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cc2F)c(=O)n1C[C@@H]1CCCO1 917355726 APPMXSQRKRJHGV-AWEZNQCLSA-N 434.290 2.017 30 10 IEEE CN1C(=O)C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c2ccccc21 1084533055 SNLKNCJNTIUOMW-UHFFFAOYSA-N 429.458 2.172 30 10 IEEE Cn1c(=O)c2cc(C(=O)N[C@H](C#N)c3ccccc3Br)sc2n(C)c1=O 1131548881 DWMPGACZVVTCJY-GFCCVEGCSA-N 433.287 2.056 30 10 IEEE C=CC1(CC(=O)NCCN(C)S(=O)(=O)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1137647906 SYSNVJDCXHWAMS-UHFFFAOYSA-N 443.591 2.298 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1151648380 PITRVZIVESQBDJ-SFHVURJKSA-N 433.461 2.366 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1161393279 OGZHJXGUYFXLQN-CYBMUJFWSA-N 439.463 2.262 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1161529201 QHQSGYYEZOZOJO-MRXNPFEDSA-N 439.553 2.171 30 10 IEEE C=C[C@H](CO)NCC(=O)NCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 1174800505 YVICHMPCHTXWRD-YPOUMIDOSA-N 431.558 2.273 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1212343533 DOYNWWJLDDFFNZ-UHFFFAOYSA-N 447.582 2.213 30 10 IEEE C#CC1(O)CN(C(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)C1 1256172715 SFHXGXZSBZWPLX-HXOBKFHXSA-N 427.501 2.279 30 10 IEEE C#C[C@H](NC(=O)c1cc(I)ccc1-n1cnnn1)c1ccccc1 1277181490 UEEJJILVXIOSFN-HNNXBMFYSA-N 429.221 2.371 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1286322753 GKYJUAYUBNFDFW-IBGZPJMESA-N 437.610 2.287 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1286347209 IIMSAULCDPMZMF-OAQYLSRUSA-N 431.544 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccc(F)cc2)CCOCC1 1286398815 QAWZVZOHLGAEBM-UHFFFAOYSA-N 449.530 2.474 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1(=O)=O 1286403978 PSNXBMMRYOTHPJ-GOSISDBHSA-N 442.541 2.002 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1286414674 AAHUKSUDORSHQJ-OAQYLSRUSA-N 430.512 2.060 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccnc1N1CCOCC1 1286427837 GFUBVBLZIDVBIL-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1286479532 UZIZAOFGGNSCNB-UHFFFAOYSA-N 426.540 2.109 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286606996 AFGQXGXLEDYEMU-UNMCSNQZSA-N 446.640 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)CC 1286778723 DXGLHWNVWLABBZ-OAHLLOKOSA-N 447.609 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(C)=O)CC1 1286783587 VZJOQFUUVDJZCU-UHFFFAOYSA-N 434.903 2.098 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)n1 1290598401 HGIOLFNEUXERBG-HXUWFJFHSA-N 448.575 2.369 30 10 IEEE CN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1cccc(C#N)c1 1292031712 MKNCIRRDDNQEHU-NXHRZFHOSA-N 433.530 2.191 30 10 IEEE CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cs1 1292728460 KHMYVRGLZPOHSS-ZDUSSCGKSA-N 446.558 2.348 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1294068126 OXIDLLIIHJIBLA-XOMICKMZSA-N 440.504 2.378 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)c1 1297450074 JBPVJXAICFQWCW-UHFFFAOYSA-N 425.466 2.101 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1300301663 TXYGHAAFRXMEBF-LJQANCHMSA-N 442.537 2.341 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300487864 MVCAPWHCYYLTOK-JENIJYKNSA-N 445.589 2.114 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1300494271 ZQVUGOLQNPLGOW-QGZVFWFLSA-N 433.603 2.488 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1300521818 UQIPNUBUGUCORK-UHFFFAOYSA-N 429.572 2.163 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1300700020 KQFDONGRMLXENF-RTBURBONSA-N 446.596 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)c2ccco2)CC1 1300729155 OURVVFGAOYUEAL-DEOSSOPVSA-N 439.560 2.477 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300972992 SGGZXLSRRYNAFX-DYXWJJEUSA-N 432.613 2.373 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(F)c2)CC1 1301125872 QSAGQDUFCIFQFC-LJQANCHMSA-N 449.552 2.201 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301261547 IJKIITRAUQMHOI-LJQANCHMSA-N 426.521 2.080 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301493150 VDIATCHUSMACMX-HZPDHXFCSA-N 429.521 2.268 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301618685 VGIHZGJZWCYJJT-GHTZIAJQSA-N 432.594 2.443 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1302955123 YSOMJIMNSNEAAR-KRWDZBQOSA-N 431.491 2.494 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CCC2)CCOC1 1303489134 HYTSHBCPOWAIQX-IIMAJNMQSA-N 435.594 2.360 30 10 IEEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1313313725 KKZMMYKRLPDEIF-BGZDPUMWSA-N 444.344 2.232 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1c(C)coc1C 1314393844 RWFQUCVICLMTQK-INIZCTEOSA-N 436.520 2.450 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2nnn(C(C)(C)C)n2)cc1 1358085104 YGLBYKSMENEBRR-MOHJPFBDSA-N 447.565 2.202 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C(=O)NC 1359133714 YDEKEJSYZVHRDA-QFBILLFUSA-N 429.521 2.202 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCc1ccccc1F 1360248701 VCEWHFLFFRCKFI-INIZCTEOSA-N 432.525 2.218 30 10 IEEE COC(=O)[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccsc1 1448168086 ZXYZZVILGFPUIU-GOSISDBHSA-N 449.554 2.378 30 10 IEEE C#CCC[C@@H](O)CNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1448348427 KQAJEKVSISAZAU-CQSZACIVSA-N 441.479 2.292 30 10 IEEE Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 1452799274 GIMUDVCPJWFQBS-CYBMUJFWSA-N 427.461 2.497 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C(C)C 1465138508 FOFIJRQXCPVMBI-GOSISDBHSA-N 434.562 2.087 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)N[C@H]4CCN(CC(F)(F)F)C4)CC3)n[nH]2)cc1 1468368537 DCVLJQHOVMSAMM-KRWDZBQOSA-N 447.465 2.417 30 10 IEEE C#CCN(C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)C1CCN(C)CC1 1470145387 XZAPUGXOFOZAPG-XMMPIXPASA-N 437.544 2.151 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1471335127 CWIJKFULDYQULO-UHFFFAOYSA-N 436.578 2.357 30 10 IEEE N#Cc1cc(F)c(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1Br 1472731223 CXINTOKQPFZSJU-KRWDZBQOSA-N 433.281 2.475 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)C2=O)cc1 1478419787 DIMLPQUDQQXFEL-DHIUTWEWSA-N 447.539 2.120 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478566920 BATUMNLLYGLZMP-AYOQOUSVSA-N 441.532 2.214 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507571889 QBNCPIRFACDEMP-OTWHNJEPSA-N 438.594 2.209 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2CCOC[C@@H]2C1 1507595894 YPAGQXXGDQUEJS-IBGZPJMESA-N 425.533 2.190 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCCN1CCN(c2ccncc2)CC1 1507650487 LXQMPUUQRYXEQH-QHCPKHFHSA-N 447.587 2.200 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)C(C)(C)C 1507652271 HIYWGMXIRGINRR-UHFFFAOYSA-N 434.512 2.433 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nncn1C 1507707382 VZAGTZUNMXTXCG-OAHLLOKOSA-N 425.562 2.394 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2c(F)cccc2F)CC1 1507740634 CMSMLMACHKYRSH-UHFFFAOYSA-N 431.487 2.301 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1507803980 IAMZWDBARKVPRE-LDBYXDLTSA-N 425.468 2.349 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)[C@H](C)CCC)CC1 1507901495 AKTAMLOWSHCWDS-AEFFLSMTSA-N 437.610 2.135 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508080399 NQFXTDQYPTXAOM-HXUWFJFHSA-N 429.484 2.092 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1508092067 XUGKIMIFZQXEFY-QGZVFWFLSA-N 429.521 2.128 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nnn(C)n2)C1 1508118773 YOTGNTZRSHWBHU-WMLDXEAASA-N 444.927 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2c(C)noc2C)C1 1508122824 GRJLOMAEHSMMPM-FHLIZLRMSA-N 449.577 2.370 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)cnn1CCC#N 1521296992 RJSPXTVLOXIHHM-QGZVFWFLSA-N 427.509 2.273 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 1533084274 GVSFDDCHIHCCSE-GOSISDBHSA-N 431.518 2.123 30 10 IEEE C[C@H](C(=O)NC(C)(C)Cc1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1538217585 GSHSALWERDCTFE-MRXNPFEDSA-N 428.533 2.463 30 10 IEEE CC(C)(C)Cc1nc(-c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)no1 1538540528 YGQMXKOKHZELAF-KKSFZXQISA-N 428.514 2.336 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1539084943 FSINFHUNVMIOTL-IBGZPJMESA-N 434.544 2.417 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccnc(-n2cccn2)c1 1539291667 VRPZWCBDXQGWCN-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCCN1CCOCC1 1539332269 KBZJGHKMWKHCCF-UHFFFAOYSA-N 426.590 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccccc2)CC1 1539476327 VXKNKIIZCLZAQT-RUZDIDTESA-N 444.539 2.214 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C)CC1 1539525771 BPMMYUTTWGAWHB-UHFFFAOYSA-N 438.601 2.402 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)=O)CC1 1539641948 GZVMXFJDVOTRMX-UNMCSNQZSA-N 441.580 2.180 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OC 1540064602 ZSUWCJMNELIHOR-UHFFFAOYSA-N 427.534 2.312 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1540877332 RDIQTPBBXDKBNZ-IBGZPJMESA-N 445.483 2.267 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552417816 SGBZGFIKELAXKD-JGCGQSQUSA-N 447.524 2.120 30 10 IEEE CN1CC[C@](O)(Cn2c(COc3ccc(F)cc3)nnc2N(CCC#N)CC2CC2)C1 1554357853 IBJCGLRZSVZDDV-JOCHJYFZSA-N 428.512 2.193 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(C)=O)nc1 1555556691 GNZDWCSYVGXVGW-UHFFFAOYSA-N 434.504 2.417 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)CCOCC1 1555679185 KUCNLWHCUILAMR-HXUWFJFHSA-N 441.532 2.254 30 10 IEEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1557311534 SXSSKDGZAJWNTJ-UHFFFAOYSA-N 439.468 2.356 30 10 IEEE N#C[C@]1(C(=O)N2CCC(n3nncc3I)CC2)C[C@H]2CC[C@H]1C2 1557499325 FUEYDMSHCAFUOF-MQIPJXDCSA-N 425.274 2.376 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3CCC(S(=O)(=O)N4CCCCC4)CC3)n2)c1 1558505324 FZUJUDRDMVEJQE-UHFFFAOYSA-N 427.530 2.164 30 10 IEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@@H](C)COC 1559992655 FERWKWFQNFWTPQ-IBGZPJMESA-N 445.585 2.196 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 1563592820 IIEUAZBPENBLCV-HXUWFJFHSA-N 446.960 2.224 30 10 IEEE Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)c1cccc(C#N)c1Br 1568200787 ZQXDVWZFLQRRLO-UHFFFAOYSA-N 431.246 2.455 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1583966210 HJFZZVTWWVFPKP-TZIWHRDSSA-N 435.446 2.259 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1584490165 SYWRFVFKUASELE-YOPALGQTSA-N 449.548 2.342 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1587579801 JXLXYYGXGFHXTK-VFCRVFHLSA-N 448.614 2.139 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(O)cc1 1588124258 IBRWFGUGMCPDCO-UHFFFAOYSA-N 448.552 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1588162182 MGERWGJQGZFULO-UHFFFAOYSA-N 432.933 2.161 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@H]1C 1588194365 UXKCSXSTSQQMPK-IEBWSBKVSA-N 425.558 2.314 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1(C(N)=O)CCOCC1 1588298094 SYZHXCJUEQALMW-UHFFFAOYSA-N 446.349 2.449 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCn2cc(Cl)cn2)CC1 1588849079 XYVWAZOIMHTBQN-UHFFFAOYSA-N 439.951 2.183 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(C)cc2)CC1 1588876969 PMHZHGFBARTCMX-UNMCSNQZSA-N 439.560 2.145 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1589042652 JJRJBJCQXLIBKK-FQEVSTJZSA-N 439.633 2.311 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1593769516 OYVIUVMIJPJXNL-APWZRJJASA-N 429.496 2.304 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1593789688 OWZGQAOHSWOKRG-NRFANRHFSA-N 438.576 2.144 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1594720074 AUZJHSGBVHGAEN-FQEVSTJZSA-N 436.560 2.395 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1594733242 PKVXJDBBSZXSME-GOSISDBHSA-N 437.541 2.353 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1596126202 AEZCRYKHIHBGJH-UHFFFAOYSA-N 439.564 2.128 30 10 IEEE COC(=O)CCN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C)C1 1597886710 UWRCWDQQBGLRPQ-KRWDZBQOSA-N 430.354 2.004 30 10 IEEE CC(C)CSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1607832695 XOITYRKRRRUEHC-OAHLLOKOSA-N 434.591 2.388 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 1611009742 JQLVBLKQPFVDID-UHFFFAOYSA-N 441.532 2.405 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCC(C)(C)C3)nnc12 1611695862 WHYKYVRUCAAPCF-UHFFFAOYSA-N 440.573 2.170 30 10 IEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cs1 1612424278 GOZQRWSAQYZPSJ-MRXNPFEDSA-N 437.529 2.048 30 10 IEEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1617986986 QGHDUWQWZZGGKB-UHFFFAOYSA-N 429.502 2.107 30 10 IEEE COC(=O)[C@]1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC(C)(C)C1 1618115174 MHEPGIFACYKNSW-HXOBKFHXSA-N 440.500 2.391 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1618526316 GFVNLWPXUHNEDR-GOSISDBHSA-N 440.548 2.362 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1619988968 AIWVTZYMHXCPAM-SGLNWRHMSA-N 437.516 2.172 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OCC 1622449970 GDSGTQNJRRPXTQ-SJORKVTESA-N 428.938 2.285 30 10 IEEE COc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1OC 1631228274 RONVXBZTKOSRRW-UHFFFAOYSA-N 429.498 2.049 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 1634240878 ZSRGMGNPMLKPKC-UHFFFAOYSA-N 434.468 2.218 30 10 IEEE COCN1C(=O)CCc2cc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)ccc21 1634354188 QZLWSZSVKPDTHN-UHFFFAOYSA-N 431.445 2.258 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 1635010715 KLFYPOXSSMRESZ-UHFFFAOYSA-N 447.944 2.500 30 10 IEEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1642507113 LEMNFKFFSAVMES-MRXNPFEDSA-N 434.338 2.019 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1645667304 YBKAYZMFRKFLAV-UHFFFAOYSA-N 425.510 2.458 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)n(-c2ccc(F)cc2)c1C 1648123147 FRKNACRHBATEOY-PZJWPPBQSA-N 439.491 2.023 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H]3CCCOC3)nnc12 1648935970 MLBVQSSDRIIZLX-HNNXBMFYSA-N 427.530 2.255 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1F 1649036131 YYZMMGAAJBLEDY-OAHLLOKOSA-N 439.443 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NC[C@H]3CCCN(CC#N)C3)ccn2)CC1 1650833894 MJNUKEAYCWYEKP-GOSISDBHSA-N 442.564 2.104 30 10 IEEE CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccc21 1653760602 YBFBRVMECBWZCY-UHFFFAOYSA-N 446.389 2.467 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)CC1 1658099596 BPVVYGZQOPNZFA-UHFFFAOYSA-N 446.426 2.085 30 10 IEEE CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1664302944 BXVKMKQEASUSPV-LJQANCHMSA-N 445.545 2.132 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2c(Br)cnn2C)cc1 1667955996 HJTTVKOHDZOBTO-UHFFFAOYSA-N 442.339 2.311 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1681984226 HITPFBVOUBCLMD-UHFFFAOYSA-N 432.613 2.348 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1681994732 GTIPCHUAMUBNKE-YEWDVWPNSA-N 443.356 2.152 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)nn1 1683483319 UTCDFWWPYAHHIP-IEBWSBKVSA-N 448.568 2.458 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N(C)Cc1ccccc1 1689966082 KOKIFPQODVDAFM-QUCCMNQESA-N 429.590 2.160 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCC(=O)N1CCCCC1 1690095227 JPSSJWGMPQUSNH-UHFFFAOYSA-N 425.533 2.442 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1690240586 HWKRSTKZNUXCGF-RDJZCZTQSA-N 437.953 2.210 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1690302347 BSYVNLLSVCMZCV-FQEVSTJZSA-N 433.509 2.383 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1690476668 LARXBDFVQCDYIL-GOSISDBHSA-N 437.552 2.044 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H](O)C1 1690615785 RWHIRWWRGAPLJE-PXNSSMCTSA-N 438.536 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690665371 AZNAXLGQEKTBSM-UHFFFAOYSA-N 440.548 2.139 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1690676179 RWQZJYQPQMEIKD-HOTGVXAUSA-N 426.546 2.361 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690681755 ZQBJADNYPIBHMA-ROUUACIJSA-N 441.488 2.144 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CC)C1 1690688071 NZKACHPKYGDEFR-DYESRHJHSA-N 434.562 2.291 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1691009411 YMISKPWBJWKWAC-NFFVOIMASA-N 433.516 2.186 30 10 IEEE Cc1noc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CC2)n1 1693536821 VOMQSHUFJQGJRA-UHFFFAOYSA-N 437.504 2.291 30 10 IEEE CCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1696434946 YUGNFUJZHBDYGF-KRWDZBQOSA-N 434.541 2.363 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)C1 1698483692 IGNWYJMXQFXPFP-JXFKEZNVSA-N 433.509 2.091 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1698488398 OWLOECTXVYHDGZ-BBWFWOEESA-N 437.422 2.124 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN(C)C(C)C)c1 1705505751 SJNLZOPEQOBFHL-UHFFFAOYSA-N 434.548 2.075 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2OC)CC1 1705648890 BZQUNLPBSNDXCH-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C#CCSCCn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705665097 JREJIPOOGAZYJQ-XMSQKQJNSA-N 434.606 2.428 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H]1CC(=O)N(CCOC)C1 1705675947 GWWXBJREFMHWTN-PGRDOPGGSA-N 427.574 2.417 30 10 IEEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705808742 BCQRXBPXXXWJRY-KRWDZBQOSA-N 426.521 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705902070 FMSGBNQTHOUDQC-KRWDZBQOSA-N 430.940 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CC=CCC2)C1 1705916692 MQQJPGCUGHBEAC-REWPJTCUSA-N 431.581 2.362 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1706074615 BJYYFGQQYSYFPY-DOTOQJQBSA-N 445.568 2.267 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)cc1OC 1711732195 JWQVFBUFOVZPNN-RDTXWAMCSA-N 426.521 2.473 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC1CC1 1722275521 FLJDHGQOBIFFRM-JKSUJKDBSA-N 431.562 2.183 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722318602 DBTRUCJVZYEQSB-IBGZPJMESA-N 440.573 2.334 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722342996 BEJVWKKGXYNFHV-QFBILLFUSA-N 429.487 2.272 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@@H](F)C2)n1 1722428499 WWRFIUOEXPXECK-QZTJIDSGSA-N 438.511 2.356 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1722505017 QOUCUJNADXRTRN-JQVVWYNYSA-N 441.580 2.213 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722534506 QJVNACHHVUMGRG-JOCHJYFZSA-N 440.592 2.405 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1722632761 HEBYDEUOUGMNGM-UHFFFAOYSA-N 430.310 2.483 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722696030 YPARIKGFKZHDCI-OAHLLOKOSA-N 442.911 2.371 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1722706182 MTURUWHPQITKFA-UHFFFAOYSA-N 436.557 2.000 30 10 IEEE CC(C)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723187136 PKYZVWURPSWHBR-LSDHQDQOSA-N 441.580 2.383 30 10 IEEE CCN(C)C(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1728268120 OIKJJBPKCJWDKZ-CALCHBBNSA-N 445.568 2.267 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCSC2)C1 1731179474 CHOHVHQNPYRYJP-CVEARBPZSA-N 441.330 2.346 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740616190 VOJNLKTZTOVBKN-GCJKJVERSA-N 448.564 2.249 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1740626796 YXWFVEJLMCOGIN-FQEVSTJZSA-N 444.601 2.363 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1csc(-c2ccco2)n1 1740688687 SUWVUQBNVPROFR-UHFFFAOYSA-N 440.529 2.251 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1740717556 VRYFUOZCXNUJJO-IBGZPJMESA-N 441.557 2.119 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740875660 HOSQOYYSOWJQCJ-PMACEKPBSA-N 430.597 2.271 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1740983580 LDEIJBASEVXVEQ-GOSISDBHSA-N 442.539 2.435 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN2CCCC2)cs1 1742592102 MLLAKSAHBCDSOM-GOSISDBHSA-N 429.594 2.485 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1744646973 WWOCMZSHHCTYKK-IYBDPMFKSA-N 439.564 2.263 30 10 IEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1745428284 AYEIGODFZHKMAA-HXUWFJFHSA-N 436.564 2.105 30 10 IEEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N2CCC(C#N)CC2)CC1 1746468878 GQCXANIOXJEOSA-UHFFFAOYSA-N 442.637 2.401 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1748747967 QCWXLEJBMRBMGG-INIZCTEOSA-N 426.521 2.112 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1749142203 SQJWVLPFGQQNKD-UHFFFAOYSA-N 439.969 2.309 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749222427 HXSWMOFHYVQPFN-UHFFFAOYSA-N 447.499 2.060 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1749430599 RBNQZJNCGTVKHV-SJORKVTESA-N 448.568 2.220 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2)C1CC1 1749507946 DZWHNRXLPKUEBN-HNNXBMFYSA-N 431.562 2.221 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1749684247 ULEYXIRIWSJUKW-LJQANCHMSA-N 433.516 2.453 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1749718688 HHFJDGSOKYSTEE-OKZBNKHCSA-N 441.523 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC=C(COC)CC1 1749727639 ZDTGSCYNJFYKRR-UHFFFAOYSA-N 446.529 2.058 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1749933092 JPFYYIXZPJZHLK-IBGZPJMESA-N 428.562 2.037 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1750451347 GGUAFOLHMDVXLP-RTBURBONSA-N 438.532 2.470 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCCn2cc(CO)nn2)C1 1751278279 UMOWDFGTOVSPJC-HXUWFJFHSA-N 426.550 2.235 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1760096993 YQXNTNATPPORKY-INIZCTEOSA-N 427.472 2.012 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1760160846 QCFOQGHNVZECKH-OAHLLOKOSA-N 427.509 2.250 30 10 IEEE C#CCCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760162121 ZNQSDJHIDGFDSK-IEGUWTFLSA-N 445.564 2.458 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182114 GPPXUSKKSGESFD-MOPGFXCFSA-N 445.589 2.458 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760182310 ICVDXPFIPVERAI-KRWDZBQOSA-N 426.546 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CN(C)C)c1 1760201615 GJZIVUAGOILZMM-UHFFFAOYSA-N 430.512 2.189 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2ncc(C)s2)CC1 1760257253 RWLHLXMXAZHBED-JTSKRJEESA-N 444.605 2.254 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(Br)n2)CC1 1760263610 IOEQBYOBYGMSDU-MRXNPFEDSA-N 431.338 2.091 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760314545 WYNXRAMUQGXPTA-LFGUQSLTSA-N 449.596 2.418 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCOC)cc2)CC1 1760389704 RVMIDSWJHZWTIN-IBGZPJMESA-N 446.573 2.410 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC(F)(F)CO1 1760457462 SXLHMZOQSVXGNV-HNNXBMFYSA-N 441.504 2.242 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1760495787 XHUHYXIEPQAGOX-LJQANCHMSA-N 443.573 2.109 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(Br)ccc1F 1760509940 VUEBVHGOQKZETR-OAHLLOKOSA-N 438.301 2.316 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1760522571 WURAHJMJXIGGHD-VQIMIIECSA-N 441.532 2.443 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1760529579 BTVBUOBARCGCSJ-QGZVFWFLSA-N 432.475 2.037 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)C1 1760541444 CCGZHUZXLZBHDE-FUHWJXTLSA-N 444.536 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C)C1 1760554029 OYCNRMGYMDVSKO-OAHLLOKOSA-N 442.545 2.431 30 10 IEEE Cc1nnc(N(Cc2ccccc2)C[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1762529703 QHSJRBXESCCKBB-XJUMHSELSA-N 436.516 2.299 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCOCC(F)(F)C(F)F 1767960269 XDSJFFJALSWHCS-SNVBAGLBSA-N 438.344 2.499 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1769272162 JYYWGZDPCUIGFT-OAHLLOKOSA-N 434.426 2.294 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)OC)cc1Br 1770086675 HOWZRPDAFOAWOB-TZMCWYRMSA-N 436.310 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1772660564 UVHHWPFUWPNLPE-GOSISDBHSA-N 443.573 2.041 30 10 IEEE C=CCN1C[C@H](C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)CC1=O 1850282282 BPOFNYQMOPVSJT-MRXNPFEDSA-N 442.483 2.283 30 10 IEEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)CCCn2ncccc2=O)CC1 1852814576 UVKJKRXXIJEYGE-UHFFFAOYSA-N 428.496 2.306 30 10 IEEE C=CCOC(=O)[C@@H](NC(=O)[C@H]1CCCN1C)c1ccccc1I 1852857026 CJSBSSLPVDMKEZ-CABCVRRESA-N 428.270 2.272 30 10 IEEE CC1(C)C(=O)N(C(=O)[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1854463261 GLFAUPROPTZADU-ZDUSSCGKSA-N 425.457 2.132 30 10 IEEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(Oc4nccs4)cc3)C(=O)C2)C1 1855018807 GOWSXKNQWXFWKR-QGZVFWFLSA-N 425.514 2.208 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC(Cn4cncn4)CC3)C2=O)c1 1856520603 FGCYFUMDQKBIBL-LJQANCHMSA-N 426.908 2.151 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)c4cccs4)C3)CC2)CC1 1857123515 MJYYSEWIWQTMKG-KRWDZBQOSA-N 428.558 2.211 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862573875 CFAIBMJNEGULHF-MPBGBICISA-N 443.452 2.377 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1862678348 MHAFIDAENHYSRU-GOSISDBHSA-N 426.400 2.238 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cc(C)ccc2O)cc1 1874292680 LEPTYTBBKMMZBU-LSHDLFTRSA-N 427.486 2.339 30 10 IEEE CC(C)N(CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(C)C 1889755938 ZJBJYLBRVPVIFD-UHFFFAOYSA-N 437.581 2.465 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CSc3ccc(OC)cc3)CC2)CC1 1890259943 VLWWGQLIBKFHIE-UHFFFAOYSA-N 445.629 2.436 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(Oc1ccc(Br)cc1C#N)C(=O)O 1919720573 MZCMBQXRKWAOEK-GUYCJALGSA-N 427.251 2.446 30 10 IEEE C[C@H](OC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(C(N)=O)cc1 2040424916 KRICYFSQNDVKPH-LBPRGKRZSA-N 441.406 2.013 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)C1 2247559859 QDKQQTUOIZHVRT-XNROWMOSSA-N 437.537 2.044 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2254809922 RZZSVDAPDZLXKP-UHFFFAOYSA-N 432.374 2.028 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2255711686 CEFSNMIHVGXBTL-PHZGNYQRSA-N 431.342 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256890000 DOXCAQYZSYWMAT-HZPDHXFCSA-N 437.321 2.302 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259934338 UWDKJMHLMURSEI-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2nn(C)cc2Br)C1 2266521734 GVXMSOTUSSWMGY-UHFFFAOYSA-N 425.327 2.448 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094548 HPTAUVWMXZUHEL-CLWVCHIJSA-N 446.357 2.131 30 10 IEEE CCn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267178708 GJHRTTBHBLNZTP-HUUCEWRRSA-N 448.373 2.330 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2267217727 KWZAWAQPGBOTTB-GVDBMIGSSA-N 445.369 2.452 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267492597 UQVLBMROPYHZFV-HUUCEWRRSA-N 448.373 2.378 30 10 IEEE Cn1cc(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267503245 AKJPLHQNCNYSFE-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)Nc1cncc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)c1 2267513989 ZNVOVBCXYUQCBW-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267521120 QKLUFVQBSSWNCZ-CQSZACIVSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267873396 PGZGXXCKSHPDIR-CABCVRRESA-N 446.357 2.151 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc(C(F)(F)F)cc2)cc1 2325710126 UZYCZPSWWWWWHB-UHFFFAOYSA-N 426.416 2.294 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc(OC)c(O)c(OC)c1 2330935584 LPTGTGHIZMWIBM-CQSZACIVSA-N 449.533 2.353 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2366839562 YPZPLEVSWWJPDE-IUODEOHRSA-N 439.306 2.478 30 10 IEEE C[C@@H](C#CC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O)NC(=O)OC(C)(C)C 2366842518 MGWIKXLEAYFOFG-SWLSCSKDSA-N 439.306 2.478 30 10 IEEE C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35991781 BGYRZLAQHZFFPE-NRFANRHFSA-N 444.507 2.059 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 109942045 CHBGHGPWZREJRR-SFHVURJKSA-N 434.477 2.085 30 10 IEEE CC(=O)c1ccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178825 RKWHBDHRPIWPBA-UHFFFAOYSA-N 430.512 2.234 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)NCc3ccc(NC(=O)CC#N)cc3)cc2C1=O 219644167 ZJMDQCALEYMHMP-UHFFFAOYSA-N 434.452 2.101 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 460951243 JJROKRFWAZBJMT-NRFANRHFSA-N 439.476 2.244 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cn1 462071431 LEAUOXCAWXRPMS-HXUWFJFHSA-N 429.484 2.494 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 462569922 IAEMGYJXIUABEK-INIZCTEOSA-N 445.463 2.369 30 10 IEEE N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c1 462922906 BSPGGZFPAZBEGA-UHFFFAOYSA-N 432.889 2.006 30 10 IEEE CN1C(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C(=O)C12CCCCC2 470218422 DUKDSIYOLYHYHD-UHFFFAOYSA-N 443.935 2.457 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C#N)s2)c1=O 482568571 HNABCHGHJUTPKB-UHFFFAOYSA-N 448.573 2.416 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 504052072 HZCGWZOMSSXFKK-UHFFFAOYSA-N 426.561 2.337 30 10 IEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C 514328587 HFNUXNHYOAOOPM-GOSISDBHSA-N 447.560 2.170 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 514782400 KWJIIIRKHSUWRJ-UHFFFAOYSA-N 430.940 2.348 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(C)c2C)c1=O 520882176 SDFAJEITTLXPIQ-UHFFFAOYSA-N 438.549 2.352 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(-n2ccnn2)cc1 540592940 WEINWCLLKMBZBB-XLIONFOSSA-N 435.557 2.388 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)n1 545490935 XAXLXCZBLIKFPL-UHFFFAOYSA-N 449.536 2.124 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2)C(=O)O)c1 548534266 LKZTWZJYBQRLSZ-INIZCTEOSA-N 436.917 2.478 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccccc2)CC1 549130995 SMZSHEYYZRZNHO-UHFFFAOYSA-N 448.546 2.481 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 554462115 NKPISLGYRZXPSZ-INIZCTEOSA-N 436.603 2.295 30 10 IEEE CCc1ccc([C@@]2(CC)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 584864162 LXCIFLZGRMUHCB-OAQYLSRUSA-N 426.498 2.147 30 10 IEEE COc1ccc(CN2CCC(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 586813720 VVTAVNIWFNGKHG-UHFFFAOYSA-N 438.503 2.351 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 670228011 KYFLYNZHQOGSOA-MRXNPFEDSA-N 430.557 2.382 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCN(c3ccc(F)cc3C)C2=O)cc1 735342067 WETZPHCNHAKQAB-FQEVSTJZSA-N 444.484 2.398 30 10 IEEE CNC(=O)c1cccc(CCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 751628974 RNLBNLCUANWNII-QQTULTPQSA-N 442.541 2.430 30 10 IEEE CNC(=O)c1cccc(CCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 751883147 QVAOSJFKJUYRPA-UHFFFAOYSA-N 431.452 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 777286660 HEADSZKQWGQUPA-HXUWFJFHSA-N 428.533 2.421 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCCC1 786296835 OOIYTLJHFREDRG-HRAATJIYSA-N 431.537 2.066 30 10 IEEE C=CC[C@@]1(C(=O)NC2CCN(S(=O)(=O)CC)CC2)CCCN1C(=O)OC(C)(C)C 790253954 LLKSOHUDONODFK-FQEVSTJZSA-N 429.583 2.263 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2ccc(C#N)c(F)c2)c1 791307942 QMXGFOJFWZHVPD-UHFFFAOYSA-N 447.488 2.141 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)ccc1OC 793014351 WRZDKUVHURPFBO-PNLZDCPESA-N 431.489 2.097 30 10 IEEE CC[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 797811817 PUGFNRFAMNKRLG-ATZDWAIDSA-N 445.589 2.443 30 10 IEEE COC(=O)CCCONC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 808819645 GWPPGGCANTYDAV-XLNRJJMWSA-N 440.522 2.286 30 10 IEEE Cc1ccccc1[C@H](O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 811525819 VEVFPEFRZRKPIK-JOCHJYFZSA-N 427.526 2.117 30 10 IEEE Cc1ccc(O[C@H]2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)nc1 858060876 ZIBCWXFPVBMPHJ-RBUKOAKNSA-N 433.468 2.147 30 10 IEEE C=CCOC(=O)[C@H](CC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)NC(=O)OC(C)(C)C 883984298 STAYCWXKYBKVTM-UGSOOPFHSA-N 438.443 2.305 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 912996802 GXRMJJKVZAHJGM-QHCPKHFHSA-N 431.540 2.440 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc1OC 1084267566 ZAXJYLFPBSPPET-UHFFFAOYSA-N 444.521 2.349 30 10 IEEE CN=[S@@](C)(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1128997333 SPEHTKDDFFBVJP-DRKIFQHWSA-N 439.497 2.488 30 10 IEEE CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC#N)CCC(=O)OC)cc1 1132451988 MPSZDVCBPKFLBS-UHFFFAOYSA-N 429.498 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@H]2C(=O)NCC(F)F)CC1 1140955091 UOFDEDSLTHLOAM-INIZCTEOSA-N 427.492 2.399 30 10 IEEE COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 1157259206 ASRYEGQTCSPLLR-QHCPKHFHSA-N 428.452 2.455 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1160145077 BZCZSVVUQWNZFO-MOPGFXCFSA-N 444.553 2.396 30 10 IEEE C#C[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)C1CCOCC1 1231331228 ICTIMNQFCUWPCY-IRXDYDNUSA-N 425.407 2.196 30 10 IEEE CCN(CC)CCOCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1233832206 FGQXZKQLYQIKRD-UHFFFAOYSA-N 439.564 2.138 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(Cn3cncn3)c2)c1 1264634679 PADHOIVNYHDEKU-QQTULTPQSA-N 438.513 2.392 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286319582 NISKQUBOJLWVDK-UHFFFAOYSA-N 430.578 2.442 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN/C(O)=C1\N=CC=CC1=O 1286370096 ZQBHUCXORDBWTG-LSDHQDQOSA-N 443.467 2.196 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCC1 1286421459 DVTIFPHNSNUBLR-XMMPIXPASA-N 441.576 2.184 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(C)CCOCC2)CC1 1286491487 UEXTZSQQVUVZLC-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccccc2)CC1 1286495411 VBTWYPPQMYMRBM-YKSBVNFPSA-N 437.544 2.003 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286505232 WMNAWXJMOXNFAF-UHFFFAOYSA-N 430.622 2.093 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1286745451 WDKULEFFNJCCMK-XZOQPEGZSA-N 446.523 2.413 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C 1286798526 ISISGHLWAAUUPM-WMZOPIPTSA-N 432.546 2.018 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1286833134 VYOCKRGTCHJOAS-MRXNPFEDSA-N 427.640 2.020 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1286889689 JFOJXWQAWDSLQE-JOCHJYFZSA-N 441.605 2.225 30 10 IEEE Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1289761649 AJCIXDSJNHDAON-CBGDNZLLSA-N 447.536 2.398 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@@H](C(F)(F)F)O1 1291224834 GBJXRJZBTOMYTC-XKQJLSEDSA-N 437.422 2.388 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)s1 1295097603 HZBKVGPUFNYHTD-GOSISDBHSA-N 447.582 2.062 30 10 IEEE COC(=O)[C@@H](CNC(=O)CC1(C#N)CCOCC1)Oc1ccc(Br)cc1 1297686788 INHKUTMYVVIFDE-OAHLLOKOSA-N 425.279 2.196 30 10 IEEE Cn1cc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1298819550 BIUILKULITWHJU-RUNIHZNKSA-N 438.536 2.177 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1300307508 FWCOUCYVNFRGMR-WMZOPIPTSA-N 432.594 2.382 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300473180 PYHNXOZFRWXSMP-SFHVURJKSA-N 448.449 2.061 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300490666 BAEUPVFRYBSACN-KRWDZBQOSA-N 444.948 2.007 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)O)CC1 1300719607 IOLKHBAJGJXVPG-UHFFFAOYSA-N 434.544 2.174 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(CCC)CC2)CC1 1300733074 RLHFFUOOVBYDCX-OAQYLSRUSA-N 442.608 2.217 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301177217 VYJPTCSUYMUKBB-LJQANCHMSA-N 435.536 2.382 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301193915 BASUJSWFVVKSAB-UHFFFAOYSA-N 429.569 2.095 30 10 IEEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC)C1CC1 1301322989 NJYUDILWXLEXHP-GDLZYMKVSA-N 436.607 2.162 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@@H]1C 1313859378 GPABYGQVHJRRPY-DLBZAZTESA-N 430.578 2.170 30 10 IEEE COCC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1315851193 GSHQTQNKTMNNMT-OAQYLSRUSA-N 431.516 2.025 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1358960433 DVRCDKGUPHGLOM-LJQANCHMSA-N 439.541 2.095 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@]1(OC)CCOC1 1358983244 ANAQFOLLORKVPS-JOCHJYFZSA-N 426.542 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCc2ccccc21 1358999464 RVBSKPHUQJKQLL-UWDQQESISA-N 434.540 2.299 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1359038204 NHSPNJFWPJIKKC-FYYLOGMGSA-N 439.608 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccncc2Cl)CC1 1359047346 CKRGPGXTINOJOB-GOSISDBHSA-N 428.924 2.192 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359165351 MWIRNRXFJBDVPL-UWJYYQICSA-N 434.562 2.454 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1359254462 SGQWKDRNTSIVNQ-AVRDEDQJSA-N 443.573 2.298 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1359272545 WIKXPCZTJCSPGG-QGZVFWFLSA-N 439.651 2.186 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1359307796 VKWVAHQQQUCNGV-WMZOPIPTSA-N 434.562 2.264 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)NC(C)C)C1 1359317067 AZOJPDVEOHPQOC-MRXNPFEDSA-N 437.541 2.193 30 10 IEEE CC(C)(C)OC(=O)c1cncc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1452487320 QWOWWHXQFHHPNX-UHFFFAOYSA-N 430.486 2.104 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)s1 1463742195 BKEUDWOKYJHEEA-UHFFFAOYSA-N 429.011 2.261 30 10 IEEE O=C(N[C@H]1CCCS(=O)(=O)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1469575903 GLPKJMFQTLYURQ-XHNCKOQMSA-N 444.344 2.376 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1470959200 JSIJKJKKXMVQAH-ULQDDVLXSA-N 429.414 2.410 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3C[C@@H](O)[C@H](Oc4ccccc4)C3)CC2=O)cc1Cl 1471060714 MEDCOSZGOIOLGO-CWFSZBLJSA-N 425.872 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NCC3(C#N)CCOCC3)ccn2)CC1 1472338995 NNGFVEDEZXEXQV-UHFFFAOYSA-N 429.521 2.189 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1473637410 GKRJYPDKSQNRRT-KNQAVFIVSA-N 447.601 2.447 30 10 IEEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1501249981 CSGOUBVYDJYQQP-LJQANCHMSA-N 431.500 2.360 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1501749008 KOHGHWYBUPIRHX-DEOSSOPVSA-N 449.559 2.182 30 10 IEEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(C#N)C1 1503405351 VBIAOAXYNFPMFI-NZQKXSOJSA-N 440.548 2.499 30 10 IEEE COC1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1504466272 PKKKTWMRGLOYQP-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1505264602 YQWYPRDEXKUECC-NRFANRHFSA-N 426.546 2.198 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1507520449 CRMDIQBZKZVJPN-INIZCTEOSA-N 438.557 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1C 1507528002 KOIVQJBHVLYJTH-YESZJQIVSA-N 430.578 2.369 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1507564634 UDQAHHPQUHZAHB-SFHVURJKSA-N 444.557 2.391 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1cc(C)oc1C 1507618361 MEBYWZKIXKMNOZ-NRFANRHFSA-N 427.530 2.457 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1507623191 PNNVJBQVXUSBAM-IAGOWNOFSA-N 428.558 2.379 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507631393 DERGWAXFTFWGSX-PMACEKPBSA-N 428.558 2.019 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCCC2=O)c1 1507664669 CSFURNISNJUVDD-UHFFFAOYSA-N 427.512 2.317 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1507694147 KAHQVOMLGYCINV-UHFFFAOYSA-N 426.487 2.134 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1nc2cc(OC)ccc2n1C 1507711166 PHVWTZIODONDDS-QGZVFWFLSA-N 438.532 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1508079843 DVQXMVPOLYAFEC-RBUKOAKNSA-N 448.575 2.352 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](CC)OC)C1 1508117734 NWUJUQFJEFANKO-SJORKVTESA-N 448.593 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508133349 HMGGIVMEXBATMW-QGZVFWFLSA-N 447.561 2.039 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)o1 1521095809 QERNNMAMICOBMF-ZFWWWQNUSA-N 438.410 2.290 30 10 IEEE C[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1cccc(C#N)c1 1537673646 OQOCRZJWMWCZSL-AVBTWRTFSA-N 433.530 2.017 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1538589813 ZIDQVPAHOYHOGP-LJQANCHMSA-N 430.526 2.465 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539063486 QYLLFYBHWNYWLA-UHFFFAOYSA-N 435.580 2.155 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)COCC 1539245307 DRSAOCNWELSFKW-UHFFFAOYSA-N 428.558 2.484 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1539384110 WUKSWBPEMXHCIT-JLDAIOPHSA-N 440.548 2.183 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1539391159 ADPYHTZJUCHCKZ-OALUTQOASA-N 446.548 2.386 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1539450357 DJVNRADKXOQSRW-LJQANCHMSA-N 436.597 2.393 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539527117 ULQPTPBHPMYEDA-UHFFFAOYSA-N 426.608 2.119 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)(F)F 1539617764 YPJBGNDFVLAALN-MCIONIFRSA-N 439.504 2.258 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539736503 ZLERFPHNZQXHAS-GOSISDBHSA-N 426.521 2.102 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539750389 MVPQHNCLVJAZSW-LJQANCHMSA-N 432.613 2.202 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539790319 HGFQOFIGTAAQQI-UHFFFAOYSA-N 448.918 2.390 30 10 IEEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539991652 PLEQJKLTRRIWFL-UHFFFAOYSA-N 442.951 2.492 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540867839 JSAPBAFRYPIRAP-FQEVSTJZSA-N 431.500 2.035 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1540871299 IMCFGJINFDDDKJ-UXHICEINSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540874136 WMSMPFKKEMOLAO-HLAWJBBLSA-N 439.560 2.235 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1540877488 XEKPJIBXQVMGMH-JKSUJKDBSA-N 444.502 2.142 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CCC2)C1 1540882569 KOKHZEQGFVIMKL-MKTHODDLSA-N 444.561 2.008 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)(C)C)C1 1540883600 CBDNHEUFILBHJO-FDDCHVKYSA-N 449.596 2.405 30 10 IEEE C[C@H](CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)c1nccs1 1541831110 LYEZRQXEYYVCAS-ORIGZDJFSA-N 441.561 2.453 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545467328 HOZFFZVTTYJLLR-CDMLAIHMSA-N 428.537 2.323 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C)C(=O)OC 1556971372 WTHFQZCNIPGSSP-FQEVSTJZSA-N 444.509 2.489 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(CC#N)cc2)cc1 1557191187 MYQBXAAMXQIAQZ-IRLDBZIGSA-N 441.553 2.316 30 10 IEEE Cc1cc2c(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)n[nH]c2cc1C#N 1557351584 DCBRGRQHDXVJLQ-UHFFFAOYSA-N 443.460 2.155 30 10 IEEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 1586103500 VXKYUKFRKXSUBI-UHFFFAOYSA-N 425.510 2.229 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588059851 WITONTXLRZDRIT-HXUWFJFHSA-N 446.548 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](COC)OC 1588114031 ZFKFPIWXYYOVOY-INIZCTEOSA-N 447.333 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC 1588124143 CYLGOWZHWVPQNO-XDHUDOTRSA-N 432.528 2.062 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN(C)CCOC)CC1 1588761832 BEHOYLADIJNQTO-UHFFFAOYSA-N 430.984 2.322 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1589192509 WYAYKWAZTOIQMM-HTAPYJJXSA-N 443.573 2.227 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1589243155 VDKLNUPAWZKKBZ-PGRDOPGGSA-N 439.541 2.156 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1589252034 XNAARABOWPXHJO-HSZRJFAPSA-N 441.507 2.237 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cnn(C)c1 1589484446 TWNLGRQNPDBVER-OALUTQOASA-N 427.553 2.255 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C 1595171851 ZXIZCNJUIQMBHN-DOIPELPJSA-N 442.608 2.195 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C1 1595706460 LQFNTALJVTUFIL-MOPGFXCFSA-N 427.549 2.456 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1595753392 HURAVIJHHXPNQQ-GVDBMIGSSA-N 445.486 2.174 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1597691066 IMUXFPOBAYSMMS-PKOBYXMFSA-N 435.565 2.027 30 10 IEEE COC(=O)[C@H]1CCCN(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)C1=O 1598304384 QIJBCBOXCABYPA-BBRMVZONSA-N 425.407 2.358 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1611798427 SUGHWURRKFJTKJ-GOSISDBHSA-N 438.532 2.259 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1616014414 BBTUMGKWGKLURB-SFHVURJKSA-N 439.520 2.010 30 10 IEEE CSCC[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)c2ccccc2C1=O 1617948134 YWFNMQZLLBEVLM-GOSISDBHSA-N 428.510 2.269 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1622416718 AVMORZJIDDQAOG-QGZVFWFLSA-N 437.539 2.469 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1623391809 YFBZLDRSMYNVOF-WCIBSUBMSA-N 434.464 2.470 30 10 IEEE C#CCn1cc(CNC(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)cn1 1626740793 XPVDKTKOSLHGDC-CQSZACIVSA-N 449.462 2.157 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2c(c1)ncn2C 1638441777 HQRWHQOWCHCZOF-QGZVFWFLSA-N 439.541 2.487 30 10 IEEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@](C)(O)c1ccccc1 1639714912 RWICGQLPOVQYDL-UZUQRXQVSA-N 441.553 2.371 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)C2=O)cc1 1639973543 DIFZTYOOXCALJU-OAQYLSRUSA-N 444.451 2.242 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NCC(=O)NC(C)(C)C 1643806425 UBZDOAUICNDRAY-UHFFFAOYSA-N 431.562 2.475 30 10 IEEE COC1(OC)CC2(CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C(C)C)C1 1643980497 UNUWOMWFLDPNQJ-LJQANCHMSA-N 449.573 2.141 30 10 IEEE C=CCC[C@@H]1CCCN1CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1648526676 YTJURVHSCVDBNL-GOSISDBHSA-N 425.533 2.363 30 10 IEEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C1CCOCC1 1674355070 PQPWZELZXYQESE-OAQYLSRUSA-N 440.548 2.308 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1OC 1689930157 LTBITAHTBOZKDE-QGZVFWFLSA-N 432.546 2.117 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)OC(C)(C)C 1690003162 FNZDFAFLVMYFTK-HSZRJFAPSA-N 445.564 2.306 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCSC(F)(F)F)CC1 1690122212 KNUYDYMAVIFCHM-UHFFFAOYSA-N 442.467 2.014 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690273052 BKLNUDRSYBIUJN-OAQYLSRUSA-N 428.924 2.297 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690697397 UQACWEKMEJGAAS-NHCUHLMSSA-N 439.608 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1690724457 PNJMGMIETCOWIZ-QUCCMNQESA-N 446.573 2.269 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1691001417 IFTHZWFRCCDAOM-QGZVFWFLSA-N 441.561 2.280 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1692979143 FUOHFMMBWYUGDB-MOPGFXCFSA-N 438.532 2.117 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1696495931 JNCZQJFUNUIJND-UHFFFAOYSA-N 438.504 2.382 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)c1 1705504452 WZAYRIVAZDWEIO-HJPURHCSSA-N 425.533 2.172 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1705515591 ICPKQOBIDIQTAW-FQEVSTJZSA-N 428.581 2.114 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705527066 VGUHOLGWQNPLTL-MAUKXSAKSA-N 442.472 2.498 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1705654223 AELBCADHUPMZNA-UHFFFAOYSA-N 432.557 2.243 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705701093 CGFZSQGZVXCMIZ-ZWOKBUDYSA-N 433.578 2.114 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705702300 GRFPSTJSQXNUNS-NSHGMRRFSA-N 439.564 2.459 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705739170 XGKZNDAIBKMAKY-LJQANCHMSA-N 433.578 2.260 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C)C1CC1 1705849841 YAYNQGRWXDKXKU-MRXNPFEDSA-N 446.577 2.299 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)cc(OC)c2)C1 1705914480 BFUMVVJBYLGISQ-AEFFLSMTSA-N 449.577 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc(O)cc2C1 1705936159 KVMHEFOQFIYFPK-QGZVFWFLSA-N 432.546 2.041 30 10 IEEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1706441595 FZPMTVHWYAAKQR-OAQYLSRUSA-N 431.562 2.239 30 10 IEEE C[C@](O)(CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1706897571 BHIFVLNFHSSQAQ-FCHUYYIVSA-N 426.496 2.254 30 10 IEEE CCc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709029694 ZNUNTLAJUQYQQB-ZABCRHKISA-N 449.559 2.472 30 10 IEEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1709890600 GQUPWTRRYVRCIZ-KURKYZTESA-N 436.582 2.102 30 10 IEEE CN(CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1711194599 CCDDPPIUWFUERX-QFIPXVFZSA-N 425.512 2.483 30 10 IEEE COC[C@H](F)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712181874 AISYEQQMTUOJEQ-NVXWUHKLSA-N 432.475 2.157 30 10 IEEE COCc1nocc1Cn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712230364 XCASOEVUEWHFKV-UHFFFAOYSA-N 436.520 2.253 30 10 IEEE CSC1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CCN(C)CC1 1712756131 WRROFMZKVWQVTO-OAHLLOKOSA-N 445.593 2.429 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722367539 MDTUFLINTZHODK-SFHVURJKSA-N 443.573 2.234 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC[S@](=O)C(C)(C)C 1722385813 MCGOKQNPJKKLQO-PMERELPUSA-N 428.558 2.486 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722435289 JSQCQCHMYNSHQG-UHFFFAOYSA-N 441.601 2.366 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1CCOCC1 1722617890 NLGFRSPPOKUBJU-UHFFFAOYSA-N 440.596 2.187 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1722672884 BOBBCXYZQDGDMH-VQTJNVASSA-N 430.574 2.452 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)[C@H]1CC 1722689455 TZOKCKOZBIAHGI-WMLDXEAASA-N 446.939 2.089 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1722700897 YECNYZZSEBMCQP-SMDDNHRTSA-N 444.483 2.092 30 10 IEEE CC(=O)N1CCC(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1722761243 AULYBQIFESBIEE-QFIPXVFZSA-N 436.560 2.441 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1723643137 GPCRYKSQFDLVBR-UHFFFAOYSA-N 444.543 2.365 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1C(F)(F)C12CCC2 1723942380 KSMNKNLCZUOAJH-GRDNDAEWSA-N 442.536 2.454 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1727869032 GAGHRRHMTMNSJZ-VOFKWLDRSA-N 449.515 2.168 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1CC 1740601968 BMRICIKLIGHIAN-UHFFFAOYSA-N 430.310 2.445 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCn2ccnc2C1 1740643358 GTLYMSHNMNUWPB-LJQANCHMSA-N 430.512 2.398 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CC)CCC2)CC1 1740703544 WPYXUNLZZPBKDZ-XMMPIXPASA-N 443.592 2.476 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740716937 FCKNUOKSTHFIHP-SJLPKXTDSA-N 446.598 2.334 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1740719376 DWLXUIZDOZWGJN-UHFFFAOYSA-N 443.621 2.201 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740799654 RDRBHUFKSKHYSH-HXUWFJFHSA-N 429.569 2.168 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740801524 BSTVWLDJSGMVKL-INIZCTEOSA-N 449.939 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(F)cc1F 1740959359 SOMYJFKRJMHUCN-UHFFFAOYSA-N 444.442 2.223 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)cs1 1742578580 UTTIJZVYYPSJSI-HXUWFJFHSA-N 431.541 2.382 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1745883174 AFBQJVDKTXKBLT-LJQANCHMSA-N 432.532 2.413 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1746036031 YPQRMAUTCCKDJK-MRXNPFEDSA-N 431.928 2.371 30 10 IEEE COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1748797057 IHIHVEOPSHOBAM-HNNXBMFYSA-N 441.879 2.183 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cnc2c(Cl)cnn2c1 1748941107 XMJHPAATAUEXNE-WMZOPIPTSA-N 443.939 2.400 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCC[C@H](C)C1 1748956370 DLDVTORKMNTPET-SFHVURJKSA-N 425.533 2.492 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2)CC1 1748977959 GKKPSAMQGFTWGF-JOCHJYFZSA-N 429.952 2.387 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1748979973 VHPLHBJEISJUKW-UAPYVXQJSA-N 445.564 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC)[C@H](C)CC)CC1 1749010723 VTRJAEJEEYUZEH-RLLQIKCJSA-N 431.581 2.199 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749033011 XPUFLNZQAADZCP-UHFFFAOYSA-N 438.561 2.029 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1749219808 TWHBZWMRYKFMOU-LJQANCHMSA-N 443.548 2.076 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCn1cc([C@H]2CCOC2)cn1 1750113509 QEGAIINFHSXJBJ-JPLJXNOCSA-N 443.552 2.141 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN(C)C(C)C 1760097388 DRWKGBNQRMQFQN-QZTJIDSGSA-N 446.621 2.235 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760129503 PHTLGCCFIRNLNI-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOCc2ccc(OC)cc2)CC1 1760260170 NDTMHXVPZLNWEZ-UHFFFAOYSA-N 447.543 2.106 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(OCC)c2)CC1 1760272906 DLYXZOZLQJOKAR-UHFFFAOYSA-N 425.533 2.227 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760411640 PFVIOXHWDYSMNK-FHWLQOOXSA-N 430.597 2.379 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760448738 OAPLJLOBVPIOSS-QGZVFWFLSA-N 433.520 2.243 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1Cl 1761510317 GXOJJORYJUMPGC-RYGJVYDSSA-N 432.887 2.232 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccccc3F)n2CCOCCS(C)(=O)=O)CC1 1761546772 HRERQEHFKHQZIL-UHFFFAOYSA-N 449.552 2.199 30 10 IEEE CCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1766596160 TXAYXCBOTVJHSB-UHFFFAOYSA-N 438.561 2.264 30 10 IEEE COC[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769424648 VMMFWVWKOXORKL-MBOBHEEDSA-N 436.516 2.334 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)C[C@H]1OC 1770303898 FHWKKPPXCDBZHR-UKAVVXHISA-N 441.532 2.130 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCCCN2CCCC2)CCO1 1770747366 INIXIHFJBMWLOL-RBUKOAKNSA-N 429.569 2.004 30 10 IEEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1771535701 WKHLMAZCDPYBDP-HNNXBMFYSA-N 435.500 2.322 30 10 IEEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)ON3C(=O)c4ccccc4C3=O)c2)no1 1772791122 ZNLXHKVFBHOKRA-UHFFFAOYSA-N 427.394 2.152 30 10 IEEE N#CCC(=O)O[C@H](CN1CCCC1=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 1851542568 VYRXIDOEPSCSNS-CYBMUJFWSA-N 433.313 2.356 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)Cc1ccc2c(c1)OCO2 1851889998 UUFUFTHDJJMOQM-UHFFFAOYSA-N 434.905 2.305 30 10 IEEE C[C@H](Cn1cnc2ccccc21)C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851951891 FKZDDQNZWSKBDU-MRXNPFEDSA-N 428.500 2.201 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1854544299 PNSLFEUQFMBQNM-UHFFFAOYSA-N 429.473 2.290 30 10 IEEE CCOc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)CCc2ccc(C#N)cc2)CO1 1855466906 JLVONONNDKXOKZ-GOSISDBHSA-N 430.482 2.437 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)CCCOc2ccccc2)C2(CCCCC2)C1=O 1855576463 MPTOGFQISPQTFS-UHFFFAOYSA-N 433.530 2.073 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)n1cccn1 1856993846 AJWRMMRTDYFNRA-NVXWUHKLSA-N 428.514 2.289 30 10 IEEE CN(CC(=O)O)C(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858814291 WIWJMIKIIBHWII-UHFFFAOYSA-N 429.458 2.069 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)c(F)c2F)cc1 1858974986 ILQORLXUDABCNU-UHFFFAOYSA-N 441.431 2.250 30 10 IEEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)c1ccccc1 1861516666 MRKKPLHNYVIVDI-HXUWFJFHSA-N 435.480 2.092 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862756804 RSZVDXMWDGUNTG-BBATYDOGSA-N 428.397 2.268 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(Cl)nc2)n([C@H]2CCS(=O)(=O)C2)n1 1870005080 WHLWCZOWRZVYQY-AWEZNQCLSA-N 436.925 2.117 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1ccc(F)cc1 1870520905 DLNNFDWSZBIWAY-UHFFFAOYSA-N 443.519 2.351 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](COCc2ccccc2)(C(=O)O)C1 2009850286 ACNOYJRRURHFGC-FDDCHVKYSA-N 430.501 2.423 30 10 IEEE C=CCN(CCC(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1)C(=O)OC(C)(C)C 2010017394 NSPXYOSIFJHKAH-NRFANRHFSA-N 441.525 2.380 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224122151 UZUDZULPUZVBIH-IRXDYDNUSA-N 433.358 2.309 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243412093 GHROKJZXEACDEY-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2243435860 YHAJSMKVENNQAX-LSDHHAIUSA-N 430.376 2.491 30 10 IEEE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401401 IFALWJSDBPMBSE-BZYZDCJZSA-N 438.359 2.057 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]2COC[C@@H]12 2255362847 IRWVSFZNRPRWFO-XHSDSOJGSA-N 431.342 2.109 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](COCc2ccccc2)C1 2255654367 WDAIOUOYQMFRGW-SFHVURJKSA-N 425.338 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255694705 SALAVXMYJXJHRM-QGZVFWFLSA-N 429.326 2.286 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255825686 DFBNBMPMHOQAGL-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256012937 AFDZUSDJWJOVFM-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256616781 DQQKTCANILEFIF-PBHICJAKSA-N 434.342 2.049 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2256622623 JTVQJCFSGHXVFA-UHFFFAOYSA-N 426.322 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256678779 HCFPWKCQFZUXDH-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2259346670 XHPVKRCGERYHMX-GDBMZVCRSA-N 431.342 2.414 30 10 IEEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267140759 FJFKGFQEURBGNA-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267273082 HRCCVTDIUOYDQY-CABCVRRESA-N 446.357 2.151 30 10 IEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267288146 YYUWWZQAAMIKJL-UAGQMJEPSA-N 449.357 2.114 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(Cc2ccccc2)C1 2267483067 NFQLBVUXHXUFNF-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2267499126 ZPVWIPMLIVFKAQ-CVEARBPZSA-N 448.325 2.039 30 10 IEEE Cc1nn(C)c(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267507169 JPJSLWGIFJUZEV-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE C[C@H]1CC[C@@H](C2OCCO2)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282862221 ZRLUWDPSLLXTCB-ZFWWWQNUSA-N 443.396 2.209 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2315295074 DAVAFQIWCVKERU-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337199423 VIMGRXKZXWJQLY-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE C[C@H](C#CC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl)NC(=O)OC(C)(C)C 2366940152 WGFXAOIQMTXSJB-SECBINFHSA-N 436.317 2.496 30 10 IEEE C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=S)NCC 36032138 JHAXBYOKHJOEHZ-UHFFFAOYSA-N 436.603 2.386 30 10 IEEE N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCN(c2ccccc2F)CC1 56966645 DPFRHFNBCJFREV-UHFFFAOYSA-N 429.883 2.228 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 59887553 CZBQXZWRPZJTRU-AWQFTUOYSA-N 448.940 2.441 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 102530879 SWZBATZAGANGFU-LCPUNJGISA-N 426.469 2.432 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)CC1 443328374 JBODOTHGWVTPTL-UHFFFAOYSA-N 438.937 2.265 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 445700801 YFBCWNNRCIEPOO-UHFFFAOYSA-N 449.554 2.415 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 460558520 KHAMAOKUWBAGON-LJQANCHMSA-N 429.496 2.434 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(OCC2CCCC2)CC1 460704759 LPUYNMDDVOZIIG-UHFFFAOYSA-N 436.516 2.584 30 10 IEEE C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)c1cccc(F)c1 468210917 HQBXJVFDLGWQSW-MRXNPFEDSA-N 443.500 2.439 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)CC1 473563466 USPPVHYKICXENP-IBGZPJMESA-N 437.887 2.165 30 10 IEEE N#CC[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccccc1 476478805 CPYREHWVTJGIPY-QGZVFWFLSA-N 429.498 2.439 30 10 IEEE CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 478876351 ZHJMXOOKUBJVRK-LJQANCHMSA-N 439.581 2.069 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)N3CCN(CC(F)(F)F)C(=O)C3)CC2)nc1 500901248 UEZSSQWRCMNQKS-UHFFFAOYSA-N 425.411 2.059 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCCc1ccccc1 508829777 VQTDKODLUUSSJC-LJQANCHMSA-N 433.578 2.256 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 523652445 XQQMMPPQIRSYAY-INIZCTEOSA-N 430.476 2.239 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 530893647 KRVQVDKMIGYKMD-CQSZACIVSA-N 427.551 2.140 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n(-c2ccccc2C)n1 545493106 IYTIGQMPTRJKOU-UHFFFAOYSA-N 429.484 2.043 30 10 IEEE C=CCCCNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 551072380 OOPFKFFBDQEFKP-UHFFFAOYSA-N 433.505 2.003 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OC)cc2)c1=O 553325498 ROVOEGILFGRIFH-UHFFFAOYSA-N 432.501 2.499 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)cc1 564513675 NKKKBUVTFLGQQM-UHFFFAOYSA-N 443.525 2.293 30 10 IEEE C=CCc1cc(CNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc(OC)c1OC 582983213 YLNNJYVOKQYCCS-KRWDZBQOSA-N 425.551 2.046 30 10 IEEE C=CCN(CC=C)C(=O)N1CCC[C@@H](NC(=O)CCCN2C(=O)c3ccccc3C2=O)C1 585968337 IAFAZGJCWDCNMQ-GOSISDBHSA-N 438.528 2.437 30 10 IEEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c1 603786804 OTXPJJSFTHTSJB-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 611238445 JXCYBGRFNUZRJO-HJOGWXRNSA-N 443.551 2.242 30 10 IEEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 611840981 XGEAMDYXVUINGS-RNODOKPDSA-N 441.879 2.239 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCCC#N)c1 730144387 KNANPZFVERRSSA-IBGZPJMESA-N 425.558 2.361 30 10 IEEE COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732664631 MJTFOVOGTVWCNK-GOSISDBHSA-N 440.525 2.308 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 734668245 CSUJHKLVUUGXCQ-YWMAMYRUSA-N 437.422 2.110 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1C#N 746775648 MFXONBUMPIKNJZ-YLJYHZDGSA-N 427.549 2.089 30 10 IEEE C[C@H](CC(=O)N(C)Cc1nc2c(s1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 747438664 OVICTHJIEFURAZ-CYBMUJFWSA-N 432.571 2.498 30 10 IEEE C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758057794 AWOUKKMUOIAMRX-GFCCVEGCSA-N 429.885 2.223 30 10 IEEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)cc(Br)c1OCc1ccccc1 765591381 LMEMLEZGHVLMFG-UHFFFAOYSA-N 445.273 2.363 30 10 IEEE COc1ccc(C#N)cc1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 772258924 DJEZBWSIZPFGLX-MRXNPFEDSA-N 433.486 2.316 30 10 IEEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 780205572 MOEZYQYNJJQZSJ-JKLBDKPVSA-N 425.485 2.318 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@@H]1CCCO1 794580533 XDGXHZGEEBQLTF-AWEZNQCLSA-N 431.583 2.362 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 809893388 ORRNNFDFVJRGOU-HOIFWPIMSA-N 449.552 2.157 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CC1(C#N)CC1 815412511 GJKJCBGKWGIHET-UHFFFAOYSA-N 449.529 2.435 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 916775025 HXNMBPCGIYXELZ-UHFFFAOYSA-N 444.490 2.385 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccccc1C 917771122 NZVZAQHFEODLOK-UHFFFAOYSA-N 438.578 2.392 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1F 1129071193 LAYNQHWGAJTEBC-HUUCEWRRSA-N 445.516 2.386 30 10 IEEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(F)c(Br)c1 1134279857 RDZSBXMEGHBPBW-ZUCKAHLUSA-N 429.311 2.479 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 1141269339 DCQMJDWWHJJNLM-SFHVURJKSA-N 440.569 2.396 30 10 IEEE Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(=O)n(C2CCCCC2)n1C 1144555386 HAWVYQUVQCFKAM-CQSZACIVSA-N 445.545 2.178 30 10 IEEE CC(C)[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1Cc2ccccc2C1=O 1156591304 CWMLAARWTGMPAV-FCHUYYIVSA-N 430.508 2.456 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccc(CCO)cc3)nnc12 1161890418 LZYMENQCMKBSKP-UHFFFAOYSA-N 449.536 2.174 30 10 IEEE CCOC(=O)C1([C@H](C)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOCC1 1176658767 WTXKAQRNVOOUAZ-INIZCTEOSA-N 425.489 2.020 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCn3cc(Br)ccc3=O)C2)nc1 1251525152 RYOXNLIKFAYYHG-INIZCTEOSA-N 445.321 2.164 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(I)cc1F 1264321729 FPDOTPNYUKMTGH-UHFFFAOYSA-N 441.204 2.114 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)NCCn3cc(Br)ccc3=O)C2)c(F)c1 1274249598 DETVVDHVGPXONU-CQSZACIVSA-N 433.281 2.264 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1286301116 IEPOGUTXVCLPFF-AWEZNQCLSA-N 427.896 2.122 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286311228 DZDOTRXPHAHNRU-UHFFFAOYSA-N 448.571 2.341 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CN(C)C)c1 1286414669 CEKAITQEKNXHAH-UHFFFAOYSA-N 446.580 2.452 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1286521731 DSAMSDARHCRHEE-XMMPIXPASA-N 447.543 2.145 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC)[C@@H](C)C1 1286548145 RPZHZEKUGUECRH-BJLQDIEVSA-N 439.564 2.437 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccccc1 1286615608 RDBGDHOGMYICEV-PZJWPPBQSA-N 438.576 2.287 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286633743 UBSGDHBQOWHHPW-RTBURBONSA-N 433.988 2.439 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1286683319 OGFHVQYYGQBTPS-GJZGRUSLSA-N 440.595 2.279 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3ccccc32)C1 1286800014 DLYKAHKVEHUBBI-NZSAHSFTSA-N 445.589 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1286808767 NLEWFWIMAJOCRD-TVTNDZMWSA-N 429.521 2.128 30 10 IEEE CC(C)(C)c1nccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)n1 1286994980 PVSDITGBOJZSRK-UHFFFAOYSA-N 444.543 2.473 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccncc1Cl 1288841620 RFVVXIJQHZMHEG-SCLBCKFNSA-N 437.957 2.115 30 10 IEEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC(C)(C#N)CC2)CC1 1296195409 JOGCKQQZCJJBOP-UHFFFAOYSA-N 437.596 2.283 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1298283532 GQOQLVXXLMVARO-HXUWFJFHSA-N 438.532 2.277 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)=NO1 1300155524 QYOGDVAWYABFOX-LJQANCHMSA-N 441.532 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1300275091 PTUWFVLATVVHCA-LSDHHAIUSA-N 425.468 2.226 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc2c(c1)OCCO2 1300327694 DWFCIASVQBDWMS-MMOPVJDHSA-N 426.517 2.474 30 10 IEEE C#CCN(c1nnc(C)n1CCC(=O)Nc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1300482426 FLLPRDCWRIDIKE-INIZCTEOSA-N 449.964 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)cc1 1300574809 KZRYPUIKOBQVQQ-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1(N2CCOCC2)CC1 1300590729 DSUURYATSODYPU-UHFFFAOYSA-N 433.556 2.493 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCN1CCCS1(=O)=O 1300648315 CKGVGGUPUYXXBX-UHFFFAOYSA-N 433.553 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)CN(C)C)CC1 1300718549 SGBKDENVNUKXPV-UHFFFAOYSA-N 426.565 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN(C)CC(F)(F)F)CC1 1300728682 DIAYRIPOBHRCFF-UHFFFAOYSA-N 440.514 2.081 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1300830181 DQLPINIXYUKXJU-CYBMUJFWSA-N 446.357 2.465 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300839415 GYUMAAOTVNSCHT-UHFFFAOYSA-N 439.277 2.179 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC[C@@H]1C 1300840771 WUSAPRWPBBVFHI-DVWBAYGPSA-N 441.532 2.130 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300883926 GCRJQGXJOKAACB-CTNGQTDRSA-N 430.597 2.127 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301143768 RBHGHXQXOVLMBN-IBGZPJMESA-N 436.560 2.257 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[C@@](C)(C#N)C3)cc2)cc1 1301266403 WAAWQQMPCAZUCF-QFIPXVFZSA-N 440.525 2.499 30 10 IEEE COCCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1302162335 JMJRGPZVSCQINH-PGRDOPGGSA-N 445.520 2.073 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(Oc3ccnc(C(=O)NC)c3)c2)CC1 1310819200 PTQCPPVMKBAMGH-UHFFFAOYSA-N 435.484 2.227 30 10 IEEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1312977781 RWOWHJCVPDTRGJ-UHFFFAOYSA-N 441.604 2.017 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCC[C@@H](C)C1 1314354124 DSIIIDDKJXRBEJ-MRXNPFEDSA-N 425.537 2.081 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1314708123 IOIGSGVGIWXYHR-QHCPKHFHSA-N 440.548 2.241 30 10 IEEE COCCN(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC#N)CC1 1316071011 GQYDBWXCLQFQBX-OAQYLSRUSA-N 440.548 2.499 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1 1352683456 XFFBYYMIGBQPJQ-FUDBJYBQSA-N 431.477 2.488 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1358964956 KUXWPFHEFSHHFU-FHWLQOOXSA-N 448.614 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1358984349 RHDFRXZWIBKAGF-QFIPXVFZSA-N 448.571 2.289 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359059488 OSORKYPZEWOYRM-APWZRJJASA-N 446.646 2.157 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCCOC)C1 1359097406 OONBCDHURVIZFK-SXLOBPIMSA-N 430.553 2.292 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC)[C@@H](C)C1 1359128304 PNYBKGDHXVTFKY-SFHVURJKSA-N 447.605 2.472 30 10 IEEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359212575 QCNNSOPXLGQYEU-INIZCTEOSA-N 436.520 2.452 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1359298838 NBVZBZYIPVDYOO-MRXNPFEDSA-N 435.532 2.121 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1359307942 YQVXCNUWDHCSGX-UXHICEINSA-N 441.532 2.084 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCCC2=O)C1 1359319186 URPMHKZNAQCOID-GOSISDBHSA-N 425.537 2.309 30 10 IEEE Cc1c(C(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cnn1CCC#N 1435999200 YEAOWIGJRRPZRL-KRWDZBQOSA-N 446.552 2.131 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 1452790938 NGFVTAUSACHKRL-YCRPNKLZSA-N 447.944 2.389 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1464925240 NGPPDZWJMQADMG-CECJQHFESA-N 437.418 2.297 30 10 IEEE Cn1cc(CNC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 1466803042 ZCTDTJVSEDZTOS-CTNGQTDRSA-N 444.413 2.386 30 10 IEEE N#Cc1cc(C(=O)N2CCC(n3nncc3I)CC2)ccc1F 1470129369 USKVLEBJKNZTOL-UHFFFAOYSA-N 425.205 2.371 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cc1 1472062535 LIVFEVJBPHMGOE-UHFFFAOYSA-N 440.447 2.360 30 10 IEEE C#Cc1ccccc1CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1472454646 AVJXKFFJPMGNBE-FQEVSTJZSA-N 425.529 2.281 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c2c(Br)cccc12 1474863002 KMCMAAKHBJOOIQ-NSHDSACASA-N 433.349 2.294 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCSCCCO 1495772422 FNYBCPFYAJMWCI-IAGOWNOFSA-N 444.609 2.284 30 10 IEEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1503679117 BJDPTSFFMIJZAC-IBGZPJMESA-N 439.564 2.122 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507561428 VUMUAECTADNBGS-UHFFFAOYSA-N 430.578 2.312 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CCOc2cccc(C(F)(F)F)n2)CC1 1507732754 KMKISOXWBMZPKS-UHFFFAOYSA-N 438.454 2.063 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(C)c2ccccc2)CC1 1507737025 YASKSFUYUMGKSI-UHFFFAOYSA-N 443.555 2.442 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1507765964 WSKSTDRMGUTUIB-LVCYWYKZSA-N 436.626 2.145 30 10 IEEE C=C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507880148 WCTNMGVLBBGNHA-KRWDZBQOSA-N 431.562 2.392 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507953924 JQASYQKZZQGNSV-FCHUYYIVSA-N 446.640 2.370 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507965435 RYUKGAVQXJEVRW-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1)C1CC1 1507994211 YEYFULNANUJURF-CQSZACIVSA-N 433.509 2.113 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(F)F)C1 1508148946 ZEZLDOLRUREQRF-JYJNAYRXSA-N 448.536 2.084 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H]1C 1516793823 IBJNRYSYXOEPEB-QGZVFWFLSA-N 430.578 2.172 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1516836899 ZTHZFBOGFOFUID-MRXNPFEDSA-N 446.577 2.150 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@H](C#N)C1 1517004740 JGVUJDGEMUNWKC-QGZVFWFLSA-N 440.460 2.425 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1518832543 GPVFXCRJPZKVDC-SFHVURJKSA-N 449.515 2.352 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2Cc3ccc(C#N)cc3C2)o1 1530025224 TZOVPYHHNAAKLM-QGZVFWFLSA-N 443.481 2.023 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCCOC1 1534008801 OYJJMOJMDNFQBA-GOSISDBHSA-N 425.279 2.176 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1536588335 PAQPPEWLPPCDKX-UHFFFAOYSA-N 445.570 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)CC 1539253728 YIMLBXJCWIZXBP-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1539371566 WGLGIIGTUOAVBR-LPHOPBHVSA-N 430.530 2.217 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)=NO2)C1 1539379327 OGDIMVJRVSBMJS-LJQANCHMSA-N 439.516 2.161 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1539428206 NWTGKZDDONEJHL-OAQYLSRUSA-N 430.641 2.468 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN2CC)CC1 1539434264 GETQXHLRWDVMME-QGZVFWFLSA-N 446.397 2.275 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1539517387 MXPRBCZRHYPAPU-QGZVFWFLSA-N 445.614 2.481 30 10 IEEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540019063 AMGSBXZXMFWKLJ-FPOVZHCZSA-N 432.613 2.373 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(CC)C1 1540873719 HIDYTLVZJLAHCE-QHCPKHFHSA-N 427.549 2.379 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CC)s2)C1 1540883013 RZUCNXWERJVVBA-GJZGRUSLSA-N 439.607 2.342 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)C1 1540891222 RBIPRWGIOLXBEK-KZNAEPCWSA-N 430.578 2.375 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccsc2)cs1 1542925628 BRDNRZANXLAWRL-QFBILLFUSA-N 430.559 2.332 30 10 IEEE CC[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1545638524 ODVCDRBWHRQXPH-IWKHNONTSA-N 440.552 2.148 30 10 IEEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCNC(=O)C(C)C 1546527464 GUBFXDDDXIXPOE-UHFFFAOYSA-N 440.552 2.066 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H](O)C1 1554149937 DHQRJWBJDFHKDW-XUVXKRRUSA-N 443.573 2.239 30 10 IEEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1555279974 XXBPAALQWXIEEZ-SFHVURJKSA-N 426.496 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1558465736 NWHIPCHKWXYXCH-HTAPYJJXSA-N 429.521 2.118 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 1562701321 CBMSSOMTDOLPQG-UHFFFAOYSA-N 439.950 2.081 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@H]1C(=O)OC(C)(C)C 1584857160 KXYJHQAPASRSPO-MAUKXSAKSA-N 435.546 2.318 30 10 IEEE CC(C)CN1C[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CCN2C1=O 1586649926 HTBGSWIXCNGRPI-HNNXBMFYSA-N 435.322 2.304 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1587561788 IOSVSMDGPRCBED-HUUCEWRRSA-N 425.468 2.226 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1588213979 DALVUINKEDBKJG-UHFFFAOYSA-N 432.484 2.272 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@@H]1C 1588612731 JWKMRTMCKKYGLF-HKUYNNGSSA-N 426.517 2.475 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCN(CCC)C2)CC1 1588848944 RPJMMKIVJZTOCJ-NRFANRHFSA-N 436.604 2.365 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCOC 1589505760 OBAQTFVZWFVDNU-PKOBYXMFSA-N 434.562 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)C)CC1 1595536532 CTWOSLPYFCKXIV-UHFFFAOYSA-N 435.532 2.433 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)[C@@H](C)C1=O 1607493371 IFKQDXFCNFGBAU-KRWDZBQOSA-N 449.559 2.036 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1611319772 NJIKBHQKNCDSKZ-DUQZYUJVSA-N 445.568 2.265 30 10 IEEE C#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cc1 1625078476 ZNZOEFNMPANMEI-SFHVURJKSA-N 436.327 2.248 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1625564889 YEUNSSIVNAULNT-CQSZACIVSA-N 439.509 2.500 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3n[nH]c(C)c3I)CC2)o1 1631373733 NBECXWVHGHXWIM-UHFFFAOYSA-N 440.245 2.346 30 10 IEEE Cn1c(C(F)(F)F)nc2cncc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c21 1632533396 WBACDWLCTLJVRT-ZWNOBZJWSA-N 438.410 2.476 30 10 IEEE CC(C)(C)OC(=O)c1ccnc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1633217517 GFCRNEANSNOZCL-UHFFFAOYSA-N 444.513 2.494 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1636452679 GNAZVIHUOAKQKU-QFIPXVFZSA-N 433.553 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1 1640253618 ZSZRYSDIKUESPI-UHFFFAOYSA-N 439.512 2.439 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cscc2Br)c1=O 1641325830 QHXFGUCTZPNGBJ-UHFFFAOYSA-N 426.292 2.096 30 10 IEEE C=C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1642069630 ICVWZAYNRUIFSV-YPMHNXCESA-N 427.375 2.057 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CNC(=O)c1ccc(Br)s1)C2 1648293506 GYUXXCISNFGGJR-UHFFFAOYSA-N 425.333 2.341 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1655842974 GORCJDXDRHVXEM-ZDUSSCGKSA-N 433.456 2.191 30 10 IEEE COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cc(C#N)c(I)n2)c1 1656671984 FYWKVGVJWXVKBQ-SNVBAGLBSA-N 440.241 2.254 30 10 IEEE COC(=O)N1CCC([C@H](C)NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1662877323 DPEJUIATFMQUGC-NSHDSACASA-N 430.324 2.466 30 10 IEEE Cn1cc(CNC(=O)NCc2ccc(-c3nncnn3)cc2)c(-c2ccc(C#N)cc2)n1 1671561096 BGWNOOLNIPKWAB-UHFFFAOYSA-N 425.456 2.205 30 10 IEEE Cn1cc(I)c(CNC(=O)N2CCc3c(CC#N)cccc3C2)n1 1682306097 PYBQFQCARAJMII-UHFFFAOYSA-N 435.269 2.359 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 1685133339 XBSXODXZHKVXBS-BXFSZVDSSA-N 435.521 2.144 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)N1CCOCC1 1689824275 LTQIYTGPZRGMAU-IAGOWNOFSA-N 430.578 2.009 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1690039813 TXKPFAKGZQSZQB-UHFFFAOYSA-N 442.523 2.238 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1690077738 VTVQKWNABODLAH-ICSRJNTNSA-N 445.589 2.264 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690179126 NQWONNXXXOCQIY-MRXNPFEDSA-N 444.630 2.495 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCCOCCOC 1690203188 SXPUPRLGBPPJME-JOCHJYFZSA-N 429.521 2.441 30 10 IEEE C=CCCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1690467841 KHJJVDOVWFASNV-PXNSSMCTSA-N 426.583 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690667041 OJEKJCYLKKGYHC-UHFFFAOYSA-N 444.511 2.444 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCC)nc2)C1 1690697276 RUTJEBYGMIGVKE-ZWKOTPCHSA-N 426.521 2.243 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1nnc2n1CCCCC2 1692527716 FNDHAMZIPMFATE-JOCHJYFZSA-N 439.568 2.107 30 10 IEEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1692862939 JFEFIWOKXXLJJY-UHFFFAOYSA-N 438.532 2.390 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1697834441 GRASARPOFDOUFA-UHFFFAOYSA-N 449.515 2.304 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1705478216 YBIIQSJVFDAVCS-HOTGVXAUSA-N 435.525 2.051 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705497216 WHFCRYGYZAUTHN-GHTZIAJQSA-N 440.567 2.409 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NC1CCCCC1 1705581010 RBEUEBSAGXPQPW-UHFFFAOYSA-N 443.511 2.116 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1705613185 WZZDSJHFGBWKHT-QUCCMNQESA-N 433.622 2.437 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1)C1CC1 1705853344 XDDDSUTYRIAWCJ-SFHVURJKSA-N 429.546 2.030 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NC2CCCCC2)C1 1705928322 OTHSGENGKCQOTO-DSKINZAPSA-N 447.580 2.232 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1706076458 DHQNKIDOYQSWPV-QGZVFWFLSA-N 438.557 2.453 30 10 IEEE CC(C)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706294417 UFSDMTAEMCFRKA-BWVDKLOVSA-N 428.537 2.323 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br 1708148007 WKTYVSWYANQPBI-NSHDSACASA-N 439.264 2.471 30 10 IEEE CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1 1711198454 BMJOWPDTCICICO-IBGZPJMESA-N 442.589 2.447 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1712604588 QNWCCKYNNDSZIV-LJQANCHMSA-N 435.532 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)nc1 1722296443 PYNMPTVWVZSWRL-SFHVURJKSA-N 445.575 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1722387656 OUQWSORNWXGGAE-GOSISDBHSA-N 444.580 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1722423911 UHSYJWFJQQCJBO-UHFFFAOYSA-N 444.499 2.064 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722425003 ILRVWNMBNNSMME-GOSISDBHSA-N 435.532 2.028 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1conc1COC 1722427150 PXVXBTTVCPCONB-FQEVSTJZSA-N 439.472 2.059 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCCCO)CC1 1722434052 KZWQIFIQWJFNDL-UHFFFAOYSA-N 443.617 2.430 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCCCS(C)(=O)=O)CC1 1722435279 JMJSGTIMPKLAHF-UHFFFAOYSA-N 429.590 2.224 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722458265 YHLSFIONVGQCQW-UHFFFAOYSA-N 439.570 2.125 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722508688 TXLHNGJUKHVRMK-QRVBRYPASA-N 431.562 2.335 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1722866638 CAKUDCZMUHDZKU-WBVHZDCISA-N 431.562 2.052 30 10 IEEE Cc1cccc(N(C)c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1724236960 ISASMTIUCNKAGK-DQRAZIAOSA-N 449.515 2.003 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1CCO[C@@H](C)C1 1727602314 ARNZVEVPDWQVEB-WMZOPIPTSA-N 426.569 2.286 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1727881205 RVEFQUHFROVLSI-FQEVSTJZSA-N 437.548 2.228 30 10 IEEE COc1cccc(OCCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1730251615 KDTJJWZHSVTZSU-NRFANRHFSA-N 434.500 2.470 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740617919 YXXWTUGJASDUGF-YDZRNGNQSA-N 438.594 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC1CCOCC1 1740635256 MLKXDKVVTWDMAC-UHFFFAOYSA-N 430.516 2.200 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCOCC2)C1 1740751195 YWVCYDOIACUDGE-ROUUACIJSA-N 449.621 2.500 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740786939 UEAUPLOJSISQGF-UHFFFAOYSA-N 431.541 2.051 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCSC2(CCOCC2)C1 1740796300 UKYVRASRDGFLQW-UHFFFAOYSA-N 435.594 2.096 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1740868898 VXWJRFQOVPISOG-QGZVFWFLSA-N 448.593 2.190 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740961735 XTFDLPNMGUZEIH-SFHVURJKSA-N 444.967 2.129 30 10 IEEE CC(C)Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1741474570 KUHWPHOBTIIEQK-QFIPXVFZSA-N 447.543 2.338 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1743196540 CVLHTTSLEAJQSV-KRWDZBQOSA-N 449.559 2.275 30 10 IEEE CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1747771700 FLJNWMUBTSTHEP-UHFFFAOYSA-N 429.502 2.393 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)cc(OC)c1OC 1748515125 RAJATDXQGGBIDD-PEBXRYMYSA-N 442.520 2.045 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1748639934 NXLKCGCIEQNOCF-BQFCYCMXSA-N 445.589 2.475 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(N(C)C)CCC2)c1 1748692833 PWFASLJZJGYYSM-UHFFFAOYSA-N 444.543 2.276 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1748745254 NAUUALXQFZBDMF-UHFFFAOYSA-N 447.543 2.053 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1748916854 GJRABYCXTIECSJ-FQEVSTJZSA-N 448.365 2.242 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1748988944 DAZXIOCJTXFKBV-GMAHTHKFSA-N 436.604 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1749073003 BVQHMBGQRHCOLU-UXHICEINSA-N 431.587 2.130 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2)C1CC1 1749507947 DZWHNRXLPKUEBN-OAHLLOKOSA-N 431.562 2.221 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCCc2ccccc2)C1 1750378982 AAEJHRZKSSPTLE-PGRDOPGGSA-N 426.496 2.321 30 10 IEEE CC(C)c1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750638929 LTTYPXLGQFBFFA-CZIZESTLSA-N 428.537 2.325 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@H](C(F)(F)F)O1 1752321344 NFSMZOQSCYZJQT-RHSMWYFYSA-N 439.438 2.372 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760183632 CIKHURHZBJAQIG-KKSFZXQISA-N 434.537 2.118 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1760200763 SUKIWIWEVPYJMA-IBGZPJMESA-N 428.487 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1 1760218717 LUVRQQBGJZBCMK-IBGZPJMESA-N 426.542 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(NC(C)=O)c1 1760222630 SMKFQXJACJAXBJ-UNMCSNQZSA-N 435.528 2.472 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1760234289 LRFDFSZYCJYBCR-MRXNPFEDSA-N 437.591 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccs2)CC1 1760266142 QRELAHZPNWQCGO-JOCHJYFZSA-N 443.573 2.006 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(COC)CCC2)CC1 1760271911 QVRLEXQPRLXSLL-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C=CCCOCCn1c(N2CCN(c3ncnc4c3cnn4C)CC2)nnc1C(C)(C)C 1760452484 DPKOQLRDEZFJTN-UHFFFAOYSA-N 439.568 2.172 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCOC1 1761276058 USKAQAQTVDKBGX-REWPJTCUSA-N 441.532 2.242 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCCO1 1763179490 WCMSYWLDIRWZNT-FXAWDEMLSA-N 427.505 2.149 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCc1cnn(C)n1 1764909883 FZZOBDKHCPJOCL-UHFFFAOYSA-N 439.955 2.453 30 10 IEEE CN(Cc1ccsc1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1767159389 LVEMBBQKHKJZJK-QZQOTICOSA-N 449.540 2.488 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1767627417 VULJVBNTMAVIFQ-FCHUYYIVSA-N 442.495 2.176 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1768281848 WQZVSJADVMOYLS-UHFFFAOYSA-N 438.504 2.382 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(Cl)nc1 1769843596 PFQBJDMIKQAFAP-UHFFFAOYSA-N 443.895 2.469 30 10 IEEE COc1ccc(COCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1770246239 BWCBGLSJFHCQMV-WMZOPIPTSA-N 447.561 2.001 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)C1 1771151699 BKQQAYMYNYARPX-FUHIMQAGSA-N 440.548 2.219 30 10 IEEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)C[C@@H]1CSc2nccc(=O)n21 1849516820 QBJYVLGCRSBQLV-LLVKDONJSA-N 432.303 2.289 30 10 IEEE N#Cc1c(C(F)(F)F)nsc1O[C@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1849724353 LRONBJQXOFSNGW-JSGCOSHPSA-N 436.415 2.424 30 10 IEEE Cc1ccccc1Oc1ccc(S(=O)(=O)NCC(=O)N2CCN(CCC#N)CC2)cc1 1850877537 PQDSPOBYGHPQTG-UHFFFAOYSA-N 442.541 2.124 30 10 IEEE Cc1cccc(C)c1N(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=S)N=CN(C)C 1851190322 MWZVHMBOXBLNQJ-MRXNPFEDSA-N 426.546 2.298 30 10 IEEE CC1=CC(C)=NS(=O)(=O)N1CC(=O)Nc1c(F)cc(C#N)c(F)c1Br 1851219665 UPDHZVVVLODMSF-UHFFFAOYSA-N 433.234 2.463 30 10 IEEE CC(=O)N1[C@@H](C(=O)N=c2ccc(C#N)c[nH]2)CSC12CCN(Cc1ccccc1)CC2 1851366099 PLKVXKCNDHJRPN-HXUWFJFHSA-N 435.553 2.270 30 10 IEEE CS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)C1 1852148483 RPOQWDDWLJUIKH-FPOVZHCZSA-N 437.521 2.291 30 10 IEEE N#Cc1ccc(CCC(=O)OC[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1 1852198265 TYRRNMGQUBRNDN-JOCHJYFZSA-N 426.538 2.376 30 10 IEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852456202 QARXXSGTCQKEKG-GOEBONIOSA-N 442.859 2.332 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855735636 QLHDIXQQSDWQHU-HNNXBMFYSA-N 429.473 2.078 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862479665 NFJFWTICNYDJNI-OAQYLSRUSA-N 436.464 2.481 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868781793 AGGMMNFNSSULSA-CUWPLCDZSA-N 446.617 2.396 30 10 IEEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871497888 JPTGPEPEDVIBGG-UHFFFAOYSA-N 436.438 2.419 30 10 IEEE C=CCn1c(C(=O)NCCc2ccccc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873591797 QXWMZYXOGLXMFY-UHFFFAOYSA-N 432.528 2.292 30 10 IEEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCC(C)CC3)ncnc21 1873596186 LDHQTDLGUVEAIM-UHFFFAOYSA-N 442.545 2.279 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1891500121 QMUDDXOVWDHRMY-HXUWFJFHSA-N 442.537 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1962849099 RSUZIDFJSUQSKZ-WOJBJXKFSA-N 428.533 2.106 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2009979716 MXPPFWUGRUTKEZ-WZONZLPQSA-N 429.517 2.139 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2054380560 GTDJZORFYDPCRC-HTQZYQBOSA-N 447.195 2.299 30 10 IEEE C=C(CNC(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2077056672 IOKUGCWGQMVVBO-INIZCTEOSA-N 432.330 2.375 30 10 IEEE N#C[C@@]1(NS(=O)(=O)c2c(Br)cc(N)cc2Br)CCSC1 2191765492 JLNIVBRSUHOALP-NSHDSACASA-N 441.170 2.471 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227490428 HODZGRVCAPXXDR-QAPCUYQASA-N 443.363 2.210 30 10 IEEE CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243662378 AGMYIGFGCJRRJA-LBPRGKRZSA-N 425.360 2.362 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247834055 QCEGUMDHYGLSGX-ZHRRBRCNSA-N 425.363 2.447 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC=CCNC(=O)OC(C)(C)C)n1 2255636627 WXXJVKZNBZDDBQ-UHFFFAOYSA-N 434.346 2.013 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 2255697767 KVEMHPRCGLGYMP-INIZCTEOSA-N 433.358 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2255814677 BYZOUFGTSKZANC-MUJYYYPQSA-N 432.326 2.422 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2256665243 KCCZVNIAEPEPCG-AWEZNQCLSA-N 436.362 2.380 30 10 IEEE Cn1nc(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267121524 YPLOQFQBRZYXNR-IBGZPJMESA-N 438.381 2.361 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2267217728 KWZAWAQPGBOTTB-ZACQAIPSSA-N 445.369 2.452 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267289227 MKENEFHNGGQGHY-CVEARBPZSA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267550062 ULNGSMJMODEBQG-QFIPXVFZSA-N 446.357 2.153 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCC3(C2)OCCO3)OC1(C)C 2267723625 WUDHGOSAPVEEPN-CYBMUJFWSA-N 429.369 2.011 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871004 KUABWDAGTPYWSA-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE Cn1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c(=NC(=O)OC(C)(C)C)[nH]1 2268719039 XREPORZWIIWENV-UHFFFAOYSA-N 443.313 2.136 30 10 IEEE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2278693247 RZLOLVMFIQONEC-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE COc1ccc(-c2nnc(=NN=Cc3cc([N+](=O)[O-])c(OC)cc3OC)[nH]c2O)cc1 2318415688 UIYOKVDXGRRMRM-UHFFFAOYSA-N 426.389 2.046 30 10 IEEE COc1cc(C=CC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 2323177661 XWYCCARYURMTFL-UHFFFAOYSA-N 434.489 2.374 30 10 IEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cn(C)c2ccccc12 2330795199 RMOZRMOOOMRUIO-UHFFFAOYSA-N 428.518 2.333 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(N(C)C)cc1 2331569552 RMYSSVROROHWBC-UHFFFAOYSA-N 428.518 2.374 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)c1cnn(Cc2ccccc2)c1 2337198420 JNXDLBHBAXMLAB-MRXNPFEDSA-N 435.337 2.455 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCCN1C(=O)OC(C)(C)C 2337295315 XREGLELVOJVJGR-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)c(C)c1 21324537 UUQJQSQUCULAJG-YDZHTSKRSA-N 426.506 2.271 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 24804070 MZGAJBNKMXERMS-UYAOXDASSA-N 430.574 2.046 30 10 IEEE C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 29193827 DGOQUBSPDMLQDT-MSOLQXFVSA-N 426.542 2.130 30 10 IEEE COc1cc(C(=O)c2c(C)c(C#N)c(=O)n(C[C@@H]3CCCO3)c2O)cc(OC)c1OC 38618645 LCLSYJPSGODCRL-AWEZNQCLSA-N 428.441 2.170 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccccc1O 59830362 SOBWHIMCHFLSQX-FSJBWODESA-N 440.485 2.484 30 10 IEEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)Nc1nccs1 253575916 VENGZJFHOPDPIH-OMCISZLKSA-N 449.434 2.254 30 10 IEEE N#Cc1cc(N2CCN(c3nnnn3-c3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 301349192 LYJQTAJNGFWVHL-UHFFFAOYSA-N 427.428 2.317 30 10 IEEE Cc1ncc(C#N)c(-n2cnc(I)c2I)n1 304492500 RETSHHMOUXZLHM-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1C#N 427272910 GEHTVJZIBGCKNW-UHFFFAOYSA-N 426.495 2.278 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)cn1C 433526385 UWZMXOXPVLEXBP-UHFFFAOYSA-N 445.545 2.016 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 441460228 TYGZAWNPHIQHLA-HNNXBMFYSA-N 448.405 2.174 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1CCC(C#N)CC1 441686051 JWOIBKRXLPEIRR-JMLCCBQJSA-N 439.965 2.319 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 442207232 LAJKBYKYVPJVHH-GBOPCIDUSA-N 441.362 2.414 30 10 IEEE CC(=O)Nc1ccc(OC[C@@H](O)CN(C(C)C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 443311279 XGAIVHZDVLOAHQ-SFHVURJKSA-N 449.504 2.495 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 446506465 FXMDCWFMUGCBFT-AJTFCVKESA-N 445.589 2.150 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCCc3csc(N4CCCC4)n3)CC2)c1C#N 460536045 MJGAZMAEJZRUHT-UHFFFAOYSA-N 431.591 2.454 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1scnc1C 460951488 LCKJGVGQZZXMRO-HNNXBMFYSA-N 425.580 2.174 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c2=O)o1 471189102 SZSURYBQUNHJJS-IBGZPJMESA-N 449.532 2.386 30 10 IEEE CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 474403093 OLMRNCIWZCOEHV-KRWDZBQOSA-N 441.557 2.043 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 477251685 CYAONMDOJIBPDX-ZHRRBRCNSA-N 425.510 2.273 30 10 IEEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 478770793 UFFRSRIXVXDWES-ZIAGYGMSSA-N 431.308 2.052 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 505714972 ULSAUKIQZLDZDW-KRWDZBQOSA-N 430.534 2.074 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C)CC1 508425524 JLVKJLUTWBJPPM-UHFFFAOYSA-N 426.565 2.250 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 508998402 CWVNMMHCILOQOD-GOSISDBHSA-N 433.578 2.082 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(CCCN3CCOCC3)Cc3ccncc3)cc2C1=O 521616564 WRNSDQKDZDGTOX-UHFFFAOYSA-N 448.523 2.228 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)c(F)c1 586858735 FOCDMYGBWFTDGG-UHFFFAOYSA-N 425.460 2.326 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 588152379 QOEHYTVWMBZQMD-YJBOKZPZSA-N 438.549 2.142 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)s1 603787134 SJRLCJVCTQSGTE-UHFFFAOYSA-N 425.510 2.190 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CCO1 609269266 OEFRVFYTECAICX-OAHLLOKOSA-N 437.880 2.322 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2c(C)cc(C)nc2O)C1=O 726889973 UDTQTNGLDFOIOK-OAHLLOKOSA-N 429.502 2.075 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cnn3ccccc23)c1=O 729671720 WMXUMDAZIVQZQX-UHFFFAOYSA-N 442.500 2.138 30 10 IEEE O=C(NC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1 733889820 BMHUQSXWGQFCRI-UAFUQJIBSA-N 425.489 2.106 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)n(C3CC3)c2=O)cn1 735068565 JQKSMIRQTFJRQU-INIZCTEOSA-N 447.564 2.232 30 10 IEEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1ccccc1-c1ccccc1C#N 735776892 WGMXAVLDHPIIGG-IBGZPJMESA-N 427.482 2.227 30 10 IEEE C[C@@](C#N)(NC(=O)COC(=O)c1n[nH]c2ccc(I)cc12)C1CC1 745475898 RBMNGPLEOHKBQF-INIZCTEOSA-N 438.225 2.133 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)ccc1F 748777836 JTXHFMGQFCLYHY-HNNXBMFYSA-N 439.553 2.303 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CO)c(F)c2)cc1 749194546 VBZODPCYZQHBIX-LYBHJNIJSA-N 434.493 2.453 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1C[C@H]1CCCO1 751814210 GIIHAQOPMINWGB-LJQANCHMSA-N 432.480 2.317 30 10 IEEE CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccn(C)n2)c1 765547762 PFKGFERRMJGEPG-SFHVURJKSA-N 445.545 2.485 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCC2CCS(=O)(=O)CC2)C1=O 768420429 FHNWVZWGVFEZBN-KRWDZBQOSA-N 437.587 2.278 30 10 IEEE Cn1cnc(CN2C(=O)[C@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccc(F)cc2)n1 782883814 KEZUVGDDWAMTCH-LBPRGKRZSA-N 444.414 2.155 30 10 IEEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782884467 OTSJUFLZXXVOOI-CYBMUJFWSA-N 448.442 2.350 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(-n4ccnc4)cs3)c2=O)cc1F 783956226 ZNWROXJWEQIOGG-UHFFFAOYSA-N 449.492 2.321 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)c1 807937573 HENIHCHPGAFMCG-HXUWFJFHSA-N 440.569 2.014 30 10 IEEE COc1ccc(-c2csc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 871238259 OEPMUDMTYJXXKD-UHFFFAOYSA-N 428.495 2.496 30 10 IEEE CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 916306958 JDTDCOKZVMANKV-UHFFFAOYSA-N 445.614 2.187 30 10 IEEE CNS(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 928537446 CHUJRRWNZCGQTD-PKAMJGAUSA-N 435.546 2.379 30 10 IEEE CC(C)n1cc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 1084608315 KFWWHWRPFSIVHV-UHFFFAOYSA-N 442.505 2.165 30 10 IEEE CO[C@](C)(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)OC(C)(C)C 1125189572 XVCIVFJHSJYFRY-JFLDFIPSSA-N 439.534 2.185 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c1C 1126473434 BBWVPCRSBBKBLQ-RTWAWAEBSA-N 430.468 2.293 30 10 IEEE CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cn1cc(C#N)c(O)nc1=O 1142102446 SVWQSCPBHSOEJJ-UHFFFAOYSA-N 438.463 2.221 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1142737778 XMVOMRYGCHTIAB-HXUWFJFHSA-N 447.601 2.174 30 10 IEEE CSCC[C@H](NC(=O)CC1(C#N)CCOCC1)C(=O)Nc1ccc2oc(O)nc2c1 1143882368 KWAKCIAHWQOQFA-AWEZNQCLSA-N 432.502 2.420 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 1150521154 ZTHFYZCOZLHFGN-MRXNPFEDSA-N 431.489 2.161 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)C1 1233850536 CGNVXOILXZBMRF-RCBQFDQVSA-N 435.912 2.315 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[S@](=O)CC 1286413386 JDKNLFNKHRAJAR-WTPASJBYSA-N 447.605 2.234 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1286479932 JDDHRNACLFGJGA-VQTJNVASSA-N 439.560 2.403 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1286485618 RNMDZYMTYUFJEG-RBUKOAKNSA-N 432.569 2.046 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286547132 NHEPTDZDFSOUBR-KURKYZTESA-N 425.599 2.148 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCC(C)(C)O)n1 1290644937 BITFXDBTOZFPKM-UHFFFAOYSA-N 448.575 2.499 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)cc1OC 1297019452 LUVXHGRAQSXAHF-MRXNPFEDSA-N 431.493 2.455 30 10 IEEE CCN(C[C@H](O)COc1ccc(CCOC)cc1)C(=O)C#Cc1ccc2c(c1)OCO2 1298416152 MUCFOVGEHFJQDQ-FQEVSTJZSA-N 425.481 2.244 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300545678 UNRWXXOMEWMUGJ-OYRHEFFESA-N 437.592 2.100 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 1300701483 VLIFAZLAJUVBCJ-SSEXGKCCSA-N 429.565 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(SC)CCN(C)CC2)CC1 1300711445 BZYZGICVBYFUME-UHFFFAOYSA-N 446.665 2.369 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CCCC2(C)C)CC1 1300719761 PBXKTBWJZOUWNL-XMMPIXPASA-N 436.560 2.247 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300765197 ASKYUTPYXYVKRW-QZTJIDSGSA-N 428.514 2.358 30 10 IEEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C)C1CC1 1301323797 VVHFCIHIXCDZLB-UHFFFAOYSA-N 435.532 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cccnn2)CC1 1301483987 YXHOZAJBABBCHQ-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE CSCCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1302789065 YZNVXROYWQYEOE-NCJSADBTSA-N 434.566 2.235 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3cnc(C(F)(F)F)c3C2)s1 1303132461 LAIWWTFHGPAGSL-UHFFFAOYSA-N 434.465 2.013 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1306450100 FGBJXJXYDAQPEE-AVRDEDQJSA-N 427.505 2.149 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C1 1316240020 SVERPDRBKPCSLJ-KRWDZBQOSA-N 425.518 2.267 30 10 IEEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)NCC(=O)N(C)C)=C(/O)c1ccc(C#N)cc1 1320753613 ZDHRYEVXHIJREL-UHFFFAOYSA-O 431.925 2.402 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccn(CC)c1=O 1358997859 HKSRTVVNGGCSTG-UHFFFAOYSA-N 440.507 2.422 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1359007871 ZKSSSIOAMRQPEX-UHFFFAOYSA-N 442.527 2.161 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@H]2C)n1 1359028000 CVNIAMHDTHYDGM-HBFSDRIKSA-N 439.564 2.148 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359142210 CIUNWHGAWGAOKC-RYUDHWBXSA-N 445.895 2.189 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCN2CCCS2(=O)=O)C1 1359317207 DQBMOTLOOWLFNS-SFHVURJKSA-N 431.562 2.070 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1359465579 GKDXTUVQQJPZRH-JTBPQFFMSA-N 428.562 2.037 30 10 IEEE C[C@H]1CN(CCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1442912715 BHOAFKHXUIZCGN-JXFKEZNVSA-N 428.533 2.229 30 10 IEEE O=C(CCOc1cccc(I)c1)NCc1ccc(C(=O)NO)cc1 1448502978 NLLQBWXYNSDJEO-UHFFFAOYSA-N 440.237 2.496 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)C1 1452492233 VFCLSIGAQFMXER-SFHLNBCPSA-N 433.430 2.406 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 1454221605 RXHHYYUYMFONLF-MSOLQXFVSA-N 446.353 2.004 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 1456587201 JZRDSQKFQLJUMI-JOCHJYFZSA-N 432.521 2.087 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1460238149 GSJZNRPIOCQHNX-PMACEKPBSA-N 447.580 2.427 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1 1464309884 IFQVNFCNKXOLEH-UHFFFAOYSA-N 429.517 2.217 30 10 IEEE C#CCC1(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCOCC1 1471932215 VFCMQEUGAWOQNL-HSZRJFAPSA-N 445.519 2.189 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)cc1 1471994753 QPSCYVKMJAAASW-INIZCTEOSA-N 449.330 2.128 30 10 IEEE C#CCN(C(=O)Nc1cccc(C)c1I)[C@H]1CCS(=O)(=O)C1 1477229505 OFOFDGSEAFRXAH-LBPRGKRZSA-N 432.283 2.254 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1501204254 MBRRAAMIHOKOMI-UXHICEINSA-N 438.532 2.148 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCn1ccnc1C 1503105258 YSBKVAJJPDIPTL-UHFFFAOYSA-N 449.563 2.393 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1c(C)noc1C 1504996392 WJPNQCNMOAPZDH-MJGOQNOKSA-N 443.552 2.026 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507571708 KRUGTLJRGHOVFR-QGZVFWFLSA-N 430.553 2.373 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNS(=O)(=O)CC 1507649242 UHXQPOAWZKEHKL-UHFFFAOYSA-N 427.574 2.255 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnnn2C)CC1 1507722030 PCTFSPLGRZYDCA-MRXNPFEDSA-N 440.939 2.004 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1507722554 ZRJJGSUGJADEMP-QHCPKHFHSA-N 436.604 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(CCCC)nc1C 1507763542 CRWLODDREKGLAT-LAUBAEHRSA-N 447.609 2.234 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1510111299 HEIDCGDFJLFAFF-KRWDZBQOSA-N 430.578 2.172 30 10 IEEE CCc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513892309 CNNMAUPVQBAIPC-WIWAJNDWSA-N 428.537 2.010 30 10 IEEE CCc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513892314 CNNMAUPVQBAIPC-XDLCVMBESA-N 428.537 2.010 30 10 IEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCc3cc(C#N)ccc32)cc1 1525149216 AQFGJKYVGYNPFN-UHFFFAOYSA-N 443.525 2.045 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1534418721 ORNYYXLIRACRSN-UNMCSNQZSA-N 426.538 2.265 30 10 IEEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1536663118 HVLCJYBAVSQJDJ-ICSRJNTNSA-N 442.541 2.451 30 10 IEEE O=C(CCN1CCCS1(=O)=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538726272 HCFSYBWFKBHXQW-IUCAKERBSA-N 444.344 2.041 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539201697 BWIXGYCFPSHSTP-IBGZPJMESA-N 429.590 2.317 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539230015 JSYPWKKKODMZJA-RTWAWAEBSA-N 442.585 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCO[C@@H]1C 1539301945 XLQSOBNDYTWWDR-KOSHJBKYSA-N 430.512 2.338 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1539650428 QUWDZHWENRHQOO-QGZVFWFLSA-N 447.609 2.334 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(C)(=O)=O 1539661541 HORIEVVRLMDZSH-UHFFFAOYSA-N 429.550 2.082 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CC1 1540126383 FUTQXRXOPBGSKM-UHFFFAOYSA-N 431.562 2.186 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 1541992636 NWRIMMPLXSTOOM-UHFFFAOYSA-N 442.545 2.008 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 1544486784 MAEWYOQPTYXNNL-BBVFFXRHSA-N 439.468 2.274 30 10 IEEE CCN(CC)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1547409370 DSVQCWUJZJVLMI-IBGZPJMESA-N 437.548 2.386 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C1 1555710068 IAIIYOZLAVUYQC-XXBNENTESA-N 441.532 2.112 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)CCO2)cc1 1558604421 OTTRCLGHYHHECY-IBGZPJMESA-N 429.473 2.352 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(=O)nc1O 1562654093 DZOFTZXTBCBUEO-LBPRGKRZSA-N 449.311 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1F 1588219391 RZRBXJFMZWMNIL-UHFFFAOYSA-N 436.447 2.082 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1595283239 OYZFDCJFXWMTGU-UHFFFAOYSA-N 444.532 2.287 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1595551854 WXIQTFXMBUWHBH-SZVBFZGTSA-N 429.496 2.190 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1595895824 QTHAAYWYVLUATR-QGZVFWFLSA-N 448.637 2.451 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595900594 GMAMXTWLQVGGDR-INIZCTEOSA-N 426.546 2.315 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1Br 1597704945 JGXXZUHMNJQVCY-MRXNPFEDSA-N 448.342 2.468 30 10 IEEE C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1612942385 MPEYRJFXGPRVLM-YTVJILMNSA-N 446.577 2.376 30 10 IEEE CS(=O)(=O)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCCC1 1617878608 FFFRBUDUMKTBRK-OAHLLOKOSA-N 437.949 2.428 30 10 IEEE COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1619624956 OILYDPGTEKVKIA-FQEVSTJZSA-N 435.507 2.447 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@]1(C)CN(C)C1=O 1619899990 OGYAHISDPLUKDZ-DEOSSOPVSA-N 445.527 2.343 30 10 IEEE CSC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CCN(C)CC1 1620216691 HTNKGNQNHACLQT-UHFFFAOYSA-N 431.610 2.081 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)C[C@H]1CS(=O)(=O)C2 1626655792 LXKMYNLYEAUCGQ-SGTLLEGYSA-N 439.415 2.186 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CN(CC(C)C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1628774396 WEIVDEKNNYTGDU-HXUWFJFHSA-N 436.597 2.388 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)CC2)nc1 1629976408 JGOTUTARISPQEE-NRFANRHFSA-N 449.511 2.220 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 1637695649 PWUKNVVRKTXOMP-ZDUSSCGKSA-N 442.584 2.036 30 10 IEEE CCCS(=O)(=O)Nc1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1639049980 OSDHCGRNFYMNNQ-UHFFFAOYSA-N 445.497 2.356 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] 1640825596 ZNADMQRBTLGEBI-SZNDQCEHSA-N 427.461 2.471 30 10 IEEE C#CCN(C(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C1CCN(C(=O)OC(C)(C)C)CC1 1645458201 OFZIKLSIYKYQNP-LJQANCHMSA-N 429.521 2.083 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1c2ccccc2CC[C@H]1O 1647730396 FJEHJPIIWQOHCZ-KNQAVFIVSA-N 441.553 2.450 30 10 IEEE Cn1c(N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c(C#N)c(=O)n(C)c1=O 1652277627 OVURHTUNSPAXRR-INIZCTEOSA-N 431.537 2.010 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 1653725530 IMXVPFLYMSJTJW-LBPRGKRZSA-N 426.329 2.093 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1665015612 ABEKYBGCTPUGDU-UHFFFAOYSA-N 435.546 2.049 30 10 IEEE C#CCN(C(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)C1CCN(C)CC1 1674123915 QVZMSBRASJTITH-QGZVFWFLSA-N 438.494 2.349 30 10 IEEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCCOC1 1685237831 XQEIRLQFGCDNNW-FOIQADDNSA-N 444.511 2.139 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1685295079 ACHIJAHRDVEZHY-IAGOWNOFSA-N 428.537 2.288 30 10 IEEE COc1cc2c(cc1OC)[C@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CCCC2 1687439719 JFZGMRUXRPOELQ-LUQKVYGDSA-N 433.530 2.051 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689991826 DCEVTVFLSBZHNI-NFBKMPQASA-N 442.585 2.373 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCCCC2=O)CC1 1690115149 UWLMKXVVCBKFTF-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CC#C 1690157315 CXDRRJMVZSPZCB-UHFFFAOYSA-N 430.603 2.373 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1)C1CC1 1690544802 BFTNEQPSQLYAJV-QGZVFWFLSA-N 437.591 2.184 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1690668794 JLIDFOWRHUZPSK-INIZCTEOSA-N 434.422 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1690720990 WTPWVBSUEXFRMY-UHFFFAOYSA-N 443.573 2.137 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1690917070 FTLJWEJFJIXXFY-KRWDZBQOSA-N 448.474 2.115 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2c(C)cccc2C)CCOC1 1696084971 CIICTSVHPCLNTE-XXBNENTESA-N 441.532 2.355 30 10 IEEE COC1CCN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1697662567 CWQXOLVMRMTAIZ-UHFFFAOYSA-N 443.596 2.143 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1697924890 WZYZRGUVYFJRGF-UGKGYDQZSA-N 436.520 2.037 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccco1 1698166096 IXPMPXWSVKJUKI-KRWDZBQOSA-N 437.504 2.237 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705526357 JAVQRNXRBNNFQL-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705566075 XJXMGKYZPKMQOS-GOSISDBHSA-N 443.573 2.052 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705656295 XYENGCKTGSNVKF-LJQANCHMSA-N 441.601 2.479 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CNC(C)=O)CC1 1705701823 DFQSSQXLILCITO-AZUAARDMSA-N 425.537 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705900214 UQILBZXTRCUJBY-HNNXBMFYSA-N 425.468 2.157 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705903675 PUVNCKRLRYMMOF-KRWDZBQOSA-N 436.520 2.044 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1706672766 VIEXYFNOJATRRF-NHCUHLMSSA-N 436.532 2.065 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2CCCOC(F)F)cc1 1712880841 QQCZWDCAHOSXDH-UHFFFAOYSA-N 446.458 2.169 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(=O)N(C)C)CCCC1 1722378894 UAZBPGRPYLAQSB-UHFFFAOYSA-N 433.512 2.395 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1722458253 YCGYFOCIQFBEPA-UHFFFAOYSA-N 438.557 2.174 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722483005 GILPRKHJYPYBRA-AWEZNQCLSA-N 434.298 2.462 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722626240 AKXATRLOJNKLMS-WOJBJXKFSA-N 430.553 2.175 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1)C1CC1 1722644022 KKEANMBWDIXRFP-GOSISDBHSA-N 431.924 2.432 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722700886 XZWDTZVLMRJLED-LJQANCHMSA-N 427.549 2.431 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CO)CC2)cc1 1722704525 JPQYVMCIHVCWKK-IBGZPJMESA-N 446.573 2.002 30 10 IEEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1727713105 BOZROGCBUXFLQH-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1728115625 FGIXRRRVPFEMNQ-INIZCTEOSA-N 448.980 2.442 30 10 IEEE CCN(CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1728419811 SBQVKHYGKNUWQK-HXUWFJFHSA-N 438.580 2.107 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1728802146 GJFMGSNZSPRAGH-PKTZIBPZSA-N 438.532 2.207 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)CC1 1729168223 JZACAXWYQAOBHH-UHFFFAOYSA-N 448.575 2.342 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC(C)C 1740557953 POTILDSLBWDXKC-KRWDZBQOSA-N 428.562 2.067 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1740622958 LOXIDBBFLYKSKZ-HXUWFJFHSA-N 441.557 2.179 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1ccn(C)n1 1740641938 QANDALHTCRRRPJ-UHFFFAOYSA-N 439.317 2.474 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740710555 ZFIZMQMHDMISEC-PMERELPUSA-N 445.614 2.254 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740793611 UUNVSCOLTJQDLG-PMACEKPBSA-N 441.532 2.106 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1740893020 UTACDXYMYXUDSV-QFIPXVFZSA-N 426.521 2.496 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740939808 IIKNYNJFLNAWHK-OAHLLOKOSA-N 427.475 2.202 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740952899 QLCNFIXHRVGJEL-MOPGFXCFSA-N 445.589 2.136 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1741182558 IUAKWVZVAMIKJF-DMEQXSTQSA-N 439.520 2.051 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1743893338 NTNNCCHQAAKKHH-IVZQSRNASA-N 441.536 2.441 30 10 IEEE CC/C=C/Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745071356 BQFSMBFBOZZZKX-IBQUMJASSA-N 440.552 2.345 30 10 IEEE CCCOCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1745847757 QBSLFZNDBBLGHB-IBGZPJMESA-N 426.521 2.120 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1747816969 HJLKQQFMUIRGND-WWDZGPRUSA-N 447.536 2.348 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)C1=O 1748046864 GELQYAUCHXSUOO-CVDCTZTESA-N 438.532 2.212 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)CC=C 1748828813 MSKVHULHMVYLFW-UHFFFAOYSA-N 434.525 2.009 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCOC 1748847470 TWFFGRNEGAEZOB-IBGZPJMESA-N 445.564 2.128 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)N2CCCCCC2)CC1 1749013992 BFTRRNUDHICJEQ-UHFFFAOYSA-N 442.608 2.235 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749225730 JKNHDUNNXNFPEI-HXUWFJFHSA-N 430.597 2.271 30 10 IEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1749508449 RFNHZGJAWWSVES-FQEVSTJZSA-N 426.583 2.298 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 1749670565 TYDPFGOESDWNIN-KRWDZBQOSA-N 430.553 2.461 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682637 XNUFTTBLRVMZJK-JTSKRJEESA-N 429.521 2.208 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1750064217 YRVXWZQMJJFQIU-CQSZACIVSA-N 432.506 2.274 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1760119010 RUICHWNRIRIPBM-YOEHRIQHSA-N 438.548 2.448 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760137779 XYXWLZSCWYDETP-IBGZPJMESA-N 426.565 2.404 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760140217 GBJMLLHFXKRKBV-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1760144245 JADZRACCDGJICA-OAHLLOKOSA-N 430.940 2.093 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760156004 QXRSRRHIRALNNV-LJQANCHMSA-N 440.548 2.407 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760157387 NQHNQOKRVDBZNA-KKSFZXQISA-N 429.546 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760185149 QODHTKXRBJFSPS-FUHWJXTLSA-N 445.564 2.194 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCSCC2)cc1 1760193149 VCSGEQYDHAHVOQ-UHFFFAOYSA-N 448.596 2.188 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](OC)C(C)C 1760201852 KRJRDEUMMRZQGW-FQEVSTJZSA-N 432.528 2.419 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1760292914 KLNRRZWWHCHVNO-XMMPIXPASA-N 447.543 2.100 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760296020 XSTYOCLUOFWXMZ-TXPKVOOTSA-N 427.471 2.037 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1CCOCC1 1760323968 HXUZCPDBAMRYJC-NQIIRXRSSA-N 446.621 2.383 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1760358389 VFSWSNSLBGBFOO-QGZVFWFLSA-N 448.545 2.138 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760445985 BYRODOCQYDYKQB-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnnn1C 1760479072 CGOOPHXSZMXYHQ-QHCPKHFHSA-N 448.531 2.171 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)cc1C 1761806220 HBTUNRIPQFSYDU-NRFANRHFSA-N 437.483 2.271 30 10 IEEE CCc1cnc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1762687150 KQSVGUIAJMEWBS-KKSFZXQISA-N 446.577 2.309 30 10 IEEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1763186937 KFINMKUMOLUGOQ-BZROSYFNSA-N 428.537 2.152 30 10 IEEE CCN1CCC(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1765408816 YPTKSINNCWYERY-NZQKXSOJSA-N 446.596 2.169 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC2CC2)cc1OC 1765980411 DQOIJGHSNMHFQG-QFIPXVFZSA-N 442.495 2.321 30 10 IEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1768431661 BNMUBZYOZFSMSK-UHFFFAOYSA-N 447.547 2.193 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCCC2)CCO1 1769240283 FARQQGOJLKHDCC-IBGZPJMESA-N 438.532 2.117 30 10 IEEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1769319284 CHOCVEZVWIMSED-QGZVFWFLSA-N 438.532 2.304 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)SC 1770044871 SYNDNSIGNUWQAX-IRXDYDNUSA-N 445.593 2.347 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCOCC2)C1 1770726380 FEYFOKNBINWPLS-IBGZPJMESA-N 430.440 2.227 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CCO1 1848536599 YPJJMCOPOVYEKB-AWEZNQCLSA-N 439.287 2.381 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)CC1 1849729604 YQYQKBRUYHRISM-JOCHJYFZSA-N 444.601 2.456 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)[C@@H]1c1cccc(F)c1 1851837276 VNJNNQDWYCTBSD-WFASDCNBSA-N 435.399 2.216 30 10 IEEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@H](C)NC3CCN(c4nc(C)cc(O)n4)CC3)C2)CC1 1853571880 FYURJPHNRPOTIH-ZWKOTPCHSA-N 449.621 2.198 30 10 IEEE COc1cccc2c1C[C@@H](C(=O)O[C@H]1CON(S(=O)(=O)c3ccc(C#N)cc3)C1)CC2 1853621486 QBHNTJMVQZLDHJ-ZWKOTPCHSA-N 442.493 2.220 30 10 IEEE COc1nn(C)cc1C(=O)N1C[C@H](C2CCN(Cc3ccc(C#N)s3)CC2)CC1=O 1856911315 ZZMGDQUTOFRROY-OAHLLOKOSA-N 427.530 2.263 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1c(F)cc(F)cc1F 1862467026 GJMCUWYOVQFWPN-INIZCTEOSA-N 438.314 2.288 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)cc1O 1862754786 RXOCXWRFBITNHT-SFHVURJKSA-N 428.397 2.270 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(C)nn2CC 1865224339 MXBKIJAZDFGRTB-LJQANCHMSA-N 426.517 2.312 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866867674 QLKPLQIQZSLNDS-RBUKOAKNSA-N 437.525 2.012 30 10 IEEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868795869 NVJGFFJSOHLDSO-UXHICEINSA-N 445.633 2.472 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 1869930317 XLAGBWKGGNWMPY-HXUWFJFHSA-N 440.569 2.238 30 10 IEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1cccnc1Cl 1870112759 VGGPVAILXUWTMB-UHFFFAOYSA-N 441.791 2.273 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCCCCO 1870539050 UHDGVWOWKWXCAQ-UHFFFAOYSA-N 443.544 2.473 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(OC)cc2)o1 1874433070 BUDNEEFSMKFYIF-LSHDLFTRSA-N 443.485 2.477 30 10 IEEE Cc1cc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1Cl 1889428850 KFQSGCLCPUSWNN-UHFFFAOYSA-N 433.980 2.286 30 10 IEEE C[C@H](C#N)S(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1987442055 QICYLKSXYAPRPV-QGZVFWFLSA-N 436.578 2.377 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2010227870 ULJAIZWZYFJAGZ-ZACQAIPSSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CC1 2060628418 XCPRXAFSAXZTFD-ALXJQNPVSA-N 435.374 2.090 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060635503 MJYBLUHIMCGZRW-WBVHZDCISA-N 436.358 2.394 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2129059619 IJMYNHOWERFEGM-LEWJYISDSA-N 436.365 2.256 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1 2221947473 KLKSEENGAUYPND-BSRJHKFKSA-N 443.500 2.154 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2224122658 ZZEZHOVGWQUAMV-INIZCTEOSA-N 433.358 2.098 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255342483 XAJUKESGMDJVKX-HZPDHXFCSA-N 433.358 2.309 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@@H]2C1 2255377683 QIAMGMNWHLTQIE-CVEARBPZSA-N 431.342 2.205 30 10 IEEE CC[C@H](CN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255641069 OFXJLIQLUUMIMM-OAHLLOKOSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256623324 CKFRLFDISLIFLW-UHFFFAOYSA-N 428.338 2.173 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)=NO2)C1 2260822140 OZDRNKUIPMVCNI-ZQAUEJBPSA-N 435.330 2.446 30 10 IEEE Cn1nc(C(=O)NCCCOCCOCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267127436 RJNGBKMDBDTVKU-UHFFFAOYSA-N 443.353 2.073 30 10 IEEE C=CCC1(NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267128974 VULZYESBCDSPIK-UHFFFAOYSA-N 446.357 2.015 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)[nH]n2)OC1(C)C 2267146866 NEDDFOGOKLRHGD-OALUTQOASA-N 436.365 2.303 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267181817 XTEJSLHUSHQEGW-SFHVURJKSA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267260449 NXPPFCKNJHPCDK-DJIMGWMZSA-N 445.369 2.310 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2267592408 DNTFQOPWWCFKDZ-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CC1([C@H]2CCCN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C2)OCCO1 2282848068 IQKLZQRGVFPCIL-AWEZNQCLSA-N 443.396 2.211 30 10 IEEE COc1cccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 2327892780 SDLULHJBWRLIOT-HNNXBMFYSA-N 447.561 2.463 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)n(C[C@@H]2CCCO2)c1C 106879482 FJEJMOAGUVKPLP-PZJWPPBQSA-N 435.528 2.006 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3CNC(=O)CC#N)cc2C1=O 219686581 YWQLETOGRORRRU-UHFFFAOYSA-N 434.452 2.101 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 410402403 SBPTVEQKKAMART-OAHLLOKOSA-N 432.340 2.311 30 10 IEEE CCCCNC(=O)c1c(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)nc(C)n1C 431017285 PCNFXQYYVCTWMI-UHFFFAOYSA-N 436.520 2.361 30 10 IEEE N#CCC1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 431169040 KQLSYSJWSRVZJT-OAHLLOKOSA-N 426.336 2.412 30 10 IEEE CCC1(CC)CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCS1(=O)=O 433351026 HCFFTPKEONOXON-UHFFFAOYSA-N 435.365 2.299 30 10 IEEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)n[nH]1 440747643 MIEYBSPGQXCGDT-UHFFFAOYSA-N 445.483 2.060 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C 466785742 BGIZHNGVZTVDAV-UWJYYQICSA-N 430.512 2.456 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 468269509 GZPOFKRGDFOTAB-UHFFFAOYSA-N 431.949 2.341 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccncc2)cs1 481533306 QCYXGLVNUDOUQU-ZDUSSCGKSA-N 427.511 2.060 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3c3ncccn3)C2=O)cc1 490279748 QYGLEEGOKAZYDL-CMOCDZPBSA-N 444.539 2.403 30 10 IEEE Cc1cccc(NC(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3cccc(C#N)c3)c2=O)c1 502446875 BTQRMMFUVQWMNV-UHFFFAOYSA-N 443.528 2.317 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(=O)OCC)cn2)CC1 508849504 QQZQOXDROCGNJC-UHFFFAOYSA-N 433.516 2.348 30 10 IEEE CCCN(CCC)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 524423490 LULJJDCJIKKNFR-UHFFFAOYSA-N 435.594 2.086 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@H]1CCCO1 530315699 PYZAFWGSFWQTLZ-MRXNPFEDSA-N 447.507 2.054 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 533149019 WRNAAGLCWRLQAP-INIZCTEOSA-N 431.480 2.455 30 10 IEEE COC(=O)[C@@]1(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCSC1 534012692 GRCKZRBZCPISTJ-HXUWFJFHSA-N 430.486 2.188 30 10 IEEE C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 534145191 RWRGRWNPFTUDPM-UHFFFAOYSA-N 440.543 2.085 30 10 IEEE C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)cc1 537836296 DSELVAIGQUIYIN-UHFFFAOYSA-N 434.470 2.207 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)CC1 538353272 HESCWQYRZCESIX-VQTJNVASSA-N 426.542 2.236 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(OC(F)(F)F)c1 543142397 BVDFFKDWBSHUJO-UHFFFAOYSA-N 445.422 2.047 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2(c3ccccn3)CCC2)CC1 554305146 IKWFKZOTWRRRFT-UHFFFAOYSA-N 439.541 2.091 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 555285398 FQEYZYDFMTZQCU-ROUUACIJSA-N 444.605 2.393 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CCC3CCCCC3)n2C[C@@H]2CCOC2)CC1 559239307 DFVWCRBCPQNUMY-NRFANRHFSA-N 444.624 2.252 30 10 IEEE COc1ccc(Br)cc1[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)C(=O)O 562373426 KDTPITBAGAKGBJ-OAHLLOKOSA-N 440.275 2.137 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C[C@H]4COCC(=O)N4)c4ccccc43)cc2C1=O 578660034 OTJFTNUQNZGCEV-SJORKVTESA-N 445.475 2.118 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1Cc1ccccc1 618638253 YTCWCKOFFGNJRE-UHFFFAOYSA-N 441.965 2.478 30 10 IEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCN(c3cccnn3)CC2)c1=S 725780585 GBYDXELIFRWNPI-UHFFFAOYSA-N 428.610 2.198 30 10 IEEE C#CCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 729330523 FNQITEDBKNPCNS-JFIYKMOQSA-N 433.530 2.340 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cc1C 730138679 DOPYCMHNJNDGDD-RBUKOAKNSA-N 432.590 2.482 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)CCN1C1CC1 732702600 YHLNYCUMAWTBTD-IBGZPJMESA-N 439.541 2.369 30 10 IEEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H](O)c1c(Cl)cccc1Cl 752964544 HLOULTJGXZRRQC-ZBKNHHFJSA-N 427.288 2.241 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCCc2c(C)noc2C)C1=O 754018154 QAEUZYROOVCFFT-QAYQYMSWSA-N 429.546 2.298 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2cncs2)c1=O 758075568 KQVANSXCHCKIDF-UHFFFAOYSA-N 445.447 2.404 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)cn3)c2=O)cc1 761833784 BTYPBOXKSOHJTJ-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c(C)c1 765543413 IDJOWZXKEZDUGP-IBGZPJMESA-N 442.589 2.237 30 10 IEEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765545342 VNXJYCBNDSPALS-SFHVURJKSA-N 446.552 2.067 30 10 IEEE C=CCS(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 772723561 NWMLUVTXKFVQDH-CQSZACIVSA-N 432.951 2.031 30 10 IEEE C#CCN(C(=O)NCc1ccc(Oc2cccc(OC)c2)nc1)[C@H]1CCS(=O)(=O)C1 774166531 PUQRTTKJYFDDSP-KRWDZBQOSA-N 429.498 2.214 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1C#N 776049704 BECXZGYCQVVRDL-UHFFFAOYSA-N 437.424 2.163 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 780858342 FAEXTCAOBVKQOF-NRFANRHFSA-N 449.898 2.140 30 10 IEEE N#Cc1ccc(NC(=O)COC(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 782401292 CYNMMNKMPZEFMQ-UHFFFAOYSA-N 430.214 2.447 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)CC1 796981498 FZDOTGFHTRTABH-UAGQMJEPSA-N 449.529 2.380 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)NS(=O)(=O)CC1(C#N)CC1)C2 797274341 GCZASWCBWUHFNT-FXQLRMTLSA-N 425.551 2.456 30 10 IEEE Cn1c(Cc2cccs2)nc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc21 804368731 HPDUSRJXGLXUNE-XDOYNYLZSA-N 435.509 2.482 30 10 IEEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)c1 807937213 YLNKCIPVZLGQLV-IBGZPJMESA-N 448.564 2.480 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 809917176 GWAHVMJAVXLZIL-ROUUACIJSA-N 448.568 2.077 30 10 IEEE CN(C)S(=O)(=O)n1ccnc1C=NN(C(=S)NCc1ccc(F)cc1)C(C)(C)C 814816087 MVDVJXTZMNQKOE-UHFFFAOYSA-N 440.570 2.186 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 817222302 CXXZBLDAQWXEIN-UHFFFAOYSA-N 428.470 2.049 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CCO2 817541068 CYOGHGYYQTZPSJ-IBGZPJMESA-N 426.517 2.375 30 10 IEEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 839378863 LSYBJUKOZRAGRG-UHFFFAOYSA-N 439.500 2.211 30 10 IEEE CCCN(C(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@H]1CCS(=O)(=O)C1 925926013 CPPBUGCXKIVISL-CVEARBPZSA-N 447.513 2.221 30 10 IEEE C[C@H]1Cc2cc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)ccc2N1S(C)(=O)=O 1134507678 WMMNJQRHVVTXDE-YCRPNKLZSA-N 425.510 2.483 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1NC(=O)OC(C)(C)C 1139811145 FOWBYSAVTKIENT-INIZCTEOSA-N 438.488 2.170 30 10 IEEE CCO[C@H](CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)CN(C)C 1154442545 LKUIRCGSZNPSRQ-UYAOXDASSA-N 430.549 2.475 30 10 IEEE CS(=O)(=O)N1CCCc2cc(C(=O)Cn3c(C(F)(F)F)ccc(C#N)c3=O)ccc21 1166721607 HMNDXOYABQRQRF-UHFFFAOYSA-N 439.415 2.334 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@H](CN3CCOCC3)C2)s1 1169001564 CWXKJUACZFKMDV-OAHLLOKOSA-N 432.011 2.398 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 1174783758 UYCNHEGPCVSSNU-MOPGFXCFSA-N 447.557 2.212 30 10 IEEE COC(=O)c1cc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc(C(=O)OC)c1 1175210510 AEVRWTOYNZNVGV-HSZRJFAPSA-N 436.468 2.151 30 10 IEEE CC(C)(C)n1nc(Br)c2c(=O)n(CC(=O)NC3(C#N)CCCCC3)cnc21 1189938330 CVHXMFWTKJPOFC-UHFFFAOYSA-N 435.326 2.453 30 10 IEEE CCOC(=O)[C@@]1(COC)CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1193723376 BCMCTLOPYFJZCJ-NRFANRHFSA-N 440.462 2.465 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1286288732 IPFOLCBKSYJMLA-QGZVFWFLSA-N 447.543 2.053 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286314074 JMXWVEQFUATNDP-SFHVURJKSA-N 447.609 2.113 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286319240 XYPDJRYLKPSHLL-JXFKEZNVSA-N 425.599 2.333 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1286395336 ZXIZMKAXKZJCKU-ZWKOTPCHSA-N 436.603 2.228 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(N(C)C)CCSC1 1286405112 ZIPUBBMHBQKNSK-QHCPKHFHSA-N 439.585 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1CCCCO1 1286414594 ZWMGRBADXDMAJB-OAQYLSRUSA-N 433.560 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)SC)CC1 1286495244 XXWRDYQCOKZACP-AWEZNQCLSA-N 432.619 2.351 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)(C)O 1286742653 RRJURNUBVDBLQM-LJQANCHMSA-N 443.573 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](CC)C1 1286821774 AQGVAQDEPXGQLJ-IBGZPJMESA-N 443.573 2.497 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1287097963 AKXIURXCQWQTBW-OALUTQOASA-N 438.532 2.137 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 1290636960 DCIDIWWIJBGWCO-CQSZACIVSA-N 425.507 2.312 30 10 IEEE C#CCN(CC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C)C(=O)OC(C)(C)C 1292697362 WRYDBPVEQFYMJG-QGZVFWFLSA-N 429.517 2.381 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1296969300 DTHZIGFTRXMSAO-HKUYNNGSSA-N 429.517 2.089 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1297587529 PJKKKUVGYCBNRE-UHFFFAOYSA-N 448.531 2.190 30 10 IEEE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1CCCN(O)C1=O 1298543389 QMPNXABABQPUEQ-YGYTWAPGSA-N 425.557 2.226 30 10 IEEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCn2cc(CO)nn2)cc1 1300037968 IESDLEFPUZZLCV-UHFFFAOYSA-N 436.520 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1300273740 RJMGWYWGBSZDEC-IRXDYDNUSA-N 428.562 2.391 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300485735 YMQVXXJSFFGYSM-OAQYLSRUSA-N 429.590 2.102 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCC[C@H]1C 1300654589 ADFDQZCXNDYGTR-HXOBKFHXSA-N 426.517 2.353 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@H](C)C2)n1 1300681639 WEZWSCVXDUBYOV-VAMGGRTRSA-N 442.564 2.080 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301259747 QOERLABMFJEGHH-NRFANRHFSA-N 444.624 2.346 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301260048 SJYASCFGPSVINP-IBGZPJMESA-N 433.578 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@H](C)[C@@H]1C 1301568624 VFKFLRVHSXHSQK-LSDHHAIUSA-N 443.639 2.128 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCOC1 1301576154 AHCOADCRGRYXRV-QGZVFWFLSA-N 427.530 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(COC)CC1 1301589873 ZCLKSBHAQWFBNO-QGZVFWFLSA-N 426.583 2.026 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)=C(C)C1 1301593953 YUFWJUBERSEXLC-UHFFFAOYSA-N 449.602 2.417 30 10 IEEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 1303383478 GGOYNVDAXNJPPD-RCDICMHDSA-N 437.500 2.406 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4ccsc4C#N)CC3)cc2C1 1309677843 CFXDQSXLHKPWNI-UHFFFAOYSA-N 436.584 2.097 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CCCO1 1316085688 DFIDJNMUNSCKKR-AUSIDOKSSA-N 438.532 2.323 30 10 IEEE CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1c1ccc(F)cc1 1319486044 QDINQEAIJLZGJP-VQTJNVASSA-N 430.505 2.193 30 10 IEEE CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1349932950 WKAPZVMKXAGUCD-AWEZNQCLSA-N 432.864 2.412 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CC2=O)cc1 1353332067 GAPTYGLBKQQYTP-REWPJTCUSA-N 445.523 2.234 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)nn1 1353673384 FMUPQLAVUMRFJG-UHFFFAOYSA-N 444.344 2.308 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CC 1359002017 KLJPXWRUDFWPRM-SFHVURJKSA-N 443.621 2.490 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(F)c(Cl)c1 1359023553 NSDOYOUZMUGUKC-KRWDZBQOSA-N 435.887 2.187 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2OCC[C@H]2C)n1 1359027957 BNOZVRQIUFEKMZ-SFHLNBCPSA-N 442.564 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(Cn3cccn3)c2)CC1 1359045564 MCRHKAYEQCOIQK-UHFFFAOYSA-N 431.544 2.099 30 10 IEEE N#Cc1ncn(CCNC(=O)CCc2cc(Br)c(Br)s2)n1 1436179589 LIOUAMLPLKQYMQ-UHFFFAOYSA-N 433.129 2.485 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)c1cc[nH]n1 1440965366 BMUBCIKBMPXWDX-UHFFFAOYSA-N 427.383 2.417 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(C(C)C)ncc2OCc2ccccc2)CC1 1443360144 UKBZECVYKKAXCF-UHFFFAOYSA-N 449.555 2.076 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2CN(C(=O)OCc3ccccc3)C2)C1 1469727424 APKAULLDAFPXQG-WMZOPIPTSA-N 443.504 2.066 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)CC1 1471451469 TVOOCOHFLXMTOF-UHFFFAOYSA-N 448.548 2.436 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)c3ccc(Br)cn3)cc2C1=O 1471845332 KHQUCQODOUQDHG-UHFFFAOYSA-N 428.242 2.239 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)CO1 1473847291 ZDSHBTFPIQFDRZ-OALUTQOASA-N 437.581 2.454 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1477801833 KKHSKRLHCJKVIE-SFHVURJKSA-N 448.608 2.391 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1C 1492249808 DGHGODIPZWJRNR-VXKWHMMOSA-N 439.495 2.068 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1504833773 QSYJMLNAHPINME-UHFFFAOYSA-N 426.521 2.428 30 10 IEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccoc1 1504887269 AUYXYCGUWRJWSX-UHFFFAOYSA-N 436.520 2.460 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)OC 1504989047 KZFUEWRSDMREJV-KRWDZBQOSA-N 443.552 2.020 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1507651670 AUANRUVUIBGFOI-RTBURBONSA-N 441.532 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1 1507669730 QNJZKGQNVJLXTO-FQEVSTJZSA-N 439.585 2.170 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 1507744704 VNRJSXNQPFMOEB-UHFFFAOYSA-N 440.573 2.182 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1508023981 GBUGXTBALXJRFN-ZCNNSNEGSA-N 425.533 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508134974 BRLHQTQPMXWXFW-UXHICEINSA-N 441.557 2.280 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1509946471 GXMBCFJJPQMFTP-ZWKOTPCHSA-N 447.584 2.421 30 10 IEEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1511593944 CITSLGLQPQUHMC-UHFFFAOYSA-N 439.545 2.037 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1516918732 JVFIIJDIVLJFRR-WNGMQEJOSA-N 429.546 2.348 30 10 IEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)C1)S(C)(=O)=O 1517222205 GPCHYVAGGYXRLV-GOSISDBHSA-N 428.562 2.335 30 10 IEEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1517449506 STSUUPVHQVKNCR-MOPGFXCFSA-N 438.532 2.351 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C 1521116307 VVVXHJZZLAMQQY-RTWAWAEBSA-N 428.537 2.091 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2cccc(OC(F)(F)F)c2)CC1 1530087551 TZINTNBJVSSNST-UHFFFAOYSA-N 439.415 2.429 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1530272937 DZXRYRIIKPTGAA-UHFFFAOYSA-N 438.528 2.266 30 10 IEEE C#CCN(C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C1CCN(C)CC1 1538520019 PIKBIURFOBHJCN-UHFFFAOYSA-N 446.345 2.381 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCC)CC1 1539115635 FRGJAYMFJBUORH-UHFFFAOYSA-N 426.521 2.162 30 10 IEEE C#CCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539139648 HJBLLYPUUHGUAJ-DEOSSOPVSA-N 449.559 2.325 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539212833 YCQNDBPFCIGFDG-NLWGTHIKSA-N 428.558 2.387 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1539362508 CEYLXOBDPCHFIV-KRWDZBQOSA-N 438.532 2.357 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCN1C1CC1 1539397327 ZZMJVLOXILUMJD-IBGZPJMESA-N 437.548 2.028 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1539407933 VACOBVHDXHWZEM-KRWDZBQOSA-N 432.546 2.007 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(C)cc(OC)c2)CC1 1539430361 JFCCTIIKCGNNAQ-LJQANCHMSA-N 427.549 2.123 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(C)CC2)CC1 1539437516 CQSVZYAYLBXVTD-UHFFFAOYSA-N 427.574 2.294 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1539531162 RXGBYNXCBJZASB-LJQANCHMSA-N 439.585 2.066 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539630965 HSUGTOAMMQHKGI-MJGOQNOKSA-N 437.610 2.387 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1540872571 SYRCXELOGCVQBN-KUHUBIRLSA-N 431.487 2.453 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1540885162 CRKAVPUYHSUVTH-JTUHZDRVSA-N 444.532 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncc(CC)s1 1540902573 MGZPUDHQLJLQNM-CQSZACIVSA-N 425.580 2.038 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1 1540914705 LTJHHCHAFVWMMM-UHFFFAOYSA-N 425.554 2.483 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1541807195 BPODNHBVYFCRAZ-YQVWRLOYSA-N 432.569 2.184 30 10 IEEE C[C@@H]1COCCN1c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1Cl 1543483019 QUHTVYUHLLHBDZ-CYBMUJFWSA-N 448.932 2.242 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1544630204 DXBIPSPHEGKNSM-UHFFFAOYSA-N 433.530 2.089 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCS1 1546733007 VLKQSYDCXPVMMR-GOSISDBHSA-N 449.602 2.210 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1547628576 GTEMVLWQGWGWSG-NSHDSACASA-N 449.338 2.158 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1547701941 NCMLCJQFVXFILD-TXTKFYIRSA-N 429.613 2.328 30 10 IEEE CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n[nH]2)c1C 1565630114 RXSGYWMIPKUVBW-YXGOYXSWSA-N 425.493 2.117 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1586104611 XSFPNMIMCGNYES-GFCCVEGCSA-N 446.310 2.169 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1587692675 IAUYBYMOYFHGTF-QGZVFWFLSA-N 441.557 2.037 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1587834720 DRHVHJMKUHFZKH-CVEARBPZSA-N 432.546 2.388 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588030048 OQARSHIYVRGZOH-QGZVFWFLSA-N 434.537 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCCC1 1588258605 FIWPDNDCIUYRSQ-UNMCSNQZSA-N 441.576 2.258 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588638728 WOZWUTPGOFTMHF-SFHVURJKSA-N 433.553 2.473 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1589288036 HWXFBCWBKQSUOT-UHFFFAOYSA-N 430.347 2.160 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)C1 1589504747 JEBRMQZNCFMSGC-IIBYNOLFSA-N 441.532 2.222 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1595108777 KVLIQDCCZXJJCH-GOSISDBHSA-N 431.500 2.397 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1595722977 PMJHYGUQGUVNTM-OALUTQOASA-N 433.553 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC)CC1 1595837761 CSVXSUIOHVIJPG-ROUUACIJSA-N 426.583 2.229 30 10 IEEE Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1612229954 WZHLORDDXPNCJY-UHFFFAOYSA-N 431.500 2.308 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1612942384 MPEYRJFXGPRVLM-TWRKSUKDSA-N 446.577 2.376 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)O1 1613688485 OLXOWIIYBKPENA-OSZJIOELSA-N 433.553 2.395 30 10 IEEE C=CCN(C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@H]1CCS(=O)(=O)C1 1615932020 PBDIATNPHBYJQC-ROUUACIJSA-N 428.595 2.468 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1620203958 NJVAVONHNWTZNP-SUMDDJOVSA-N 440.573 2.443 30 10 IEEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)Cc1cc(C#N)cs1 1620621929 BEZVBHIIWFYGPU-OAHLLOKOSA-N 448.570 2.100 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 1632208717 RZLZPJFVGXREHS-LJQANCHMSA-N 439.313 2.457 30 10 IEEE COCc1ccc([C@@H]2COCCN2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)o1 1634109143 WSXOJTSQIDLNHI-XIRDDKMYSA-N 434.493 2.268 30 10 IEEE CS(=O)(=O)C1CCC(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1638449463 ZLDJLNZMAWYZBL-UHFFFAOYSA-N 432.590 2.379 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)c1 1638693442 AJSNHOCDJVOCLZ-UHFFFAOYSA-N 437.443 2.236 30 10 IEEE COC(=O)c1cnc(CC2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)s1 1643688400 QLMAHAKADSSALR-UHFFFAOYSA-N 426.498 2.012 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1644357736 AHUXXYFTKYLQOA-UHFFFAOYSA-N 438.469 2.137 30 10 IEEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)N2 1645515037 XSFBIQFODZYTDM-NHCUHLMSSA-N 432.480 2.383 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)s1 1647735192 YTINIQIDVYGUJC-CHWSQXEVSA-N 433.983 2.404 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 1651247979 YSGGABDRMHAHOP-LEWJYISDSA-N 425.526 2.126 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)CC1 1663849599 OAOKFEYPVCSYFB-UHFFFAOYSA-N 444.347 2.473 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCC(=O)Nc1ccc(I)cc1 1682296710 UZFSFNKELYDWFG-KGLIPLIRSA-N 429.258 2.263 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1689827216 BISTXFFYYLKDIP-ZIAGYGMSSA-N 425.942 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1689851781 VILFQKIRMLBELY-RBUKOAKNSA-N 448.612 2.429 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1689916695 RZMJOQATFHDOFB-GOSISDBHSA-N 438.532 2.416 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690316065 VFQGCAQRZBDOOG-NRFANRHFSA-N 437.548 2.267 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690417427 RDXDFSODELLXRT-FHWLQOOXSA-N 438.594 2.229 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)N3CCCCC3)CC2)cc1 1690679530 XUWWIWRJOBDDOK-UHFFFAOYSA-N 438.576 2.334 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1690692153 SJMDXUMYMHLEOG-HTAPYJJXSA-N 447.967 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N(C)C)C1 1690713975 AUQMFWMNKQYUJS-MRXNPFEDSA-N 431.562 2.449 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)CC)C1 1690714239 HWBTXGZVVUWTFR-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695896296 SPWXRKWLZIOSQR-JOCHJYFZSA-N 428.560 2.143 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698299163 CKQAFWGGWNUJFB-SFHVURJKSA-N 445.545 2.147 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCOCC(F)F)cc1 1698487845 CASOZMBDYBSWCY-AEFFLSMTSA-N 444.486 2.451 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CCO1 1698492964 MBCMNKINHHMUAQ-OALUTQOASA-N 447.923 2.435 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(=O)OC)C1 1705514601 CGSRPPLMUDFEFU-INIZCTEOSA-N 444.561 2.041 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(CC)CC 1705552650 NFCCMIBLCUIRMP-UHFFFAOYSA-N 438.580 2.170 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705567225 UVVICYYHAGWXDM-VQTJNVASSA-N 428.558 2.156 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705571154 WJRUHCJMEZWHSA-FOIQADDNSA-N 436.965 2.028 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1705712828 JIKSJQMEQSUGKI-QHCPKHFHSA-N 445.564 2.440 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)CC1 1705781783 HVZRPUSAZGQEDS-INIZCTEOSA-N 447.536 2.360 30 10 IEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCc2ccccc2)CC1 1712886740 DKJXPEFNHLWXAR-UHFFFAOYSA-N 449.559 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CSCCS1 1722292989 KULNGDGGIMKWHH-LSDHHAIUSA-N 440.598 2.499 30 10 IEEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1722314577 PJZGCJWVZCFLGY-UHFFFAOYSA-N 426.546 2.312 30 10 IEEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722330029 IFLBQLAKNKEPGS-UHFFFAOYSA-N 426.952 2.413 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1722363938 DBZAKWTWICCMIB-OALUTQOASA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1ccccc1F 1722383872 YEHHFUCMZKUBTE-UHFFFAOYSA-N 436.516 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)SC 1722385371 GQTVKBQKSNAQSQ-OAQYLSRUSA-N 436.629 2.467 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1722389508 JEFIRNQQPPRNQM-AWEZNQCLSA-N 439.994 2.309 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1722458357 HMCCZJOUIZDUOE-FQEVSTJZSA-N 438.601 2.226 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722632700 CXUZSNYLNHTQCR-JTSKRJEESA-N 442.568 2.053 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc3c2OCCCO3)C1 1722708630 AKMYHJCSGMLNCQ-SFHVURJKSA-N 441.532 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCOCC2)C1 1722721524 UCQNQIRLZBQSEH-QGZVFWFLSA-N 435.594 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](F)C1 1722731034 BKLFZWFFBSJDKP-CVEARBPZSA-N 438.525 2.261 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722731326 KDJVXEYHQZQFSH-UHFFFAOYSA-N 433.578 2.450 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722737795 RGUHKQYBNBXQGN-PKOBYXMFSA-N 429.594 2.201 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(C)Cc2ccccc2C1 1723923852 BUCZQQSWBUZMTM-INIZCTEOSA-N 442.589 2.433 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC 1727245204 GGCCWKANWFXXTL-IBGZPJMESA-N 446.577 2.102 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1728201374 DEGFBHOTILAJAR-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCO2)cc1OC 1728859949 WMJPFWIRHQIDSO-ZWKOTPCHSA-N 425.489 2.426 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(C#N)c1 1729221054 RLPSQDWIXAWDAK-LJQANCHMSA-N 446.577 2.357 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1740598221 IVVASBOICFWPSM-RBBKRZOGSA-N 439.560 2.105 30 10 IEEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740612221 KCXJCONFKPPJKX-UHFFFAOYSA-N 430.556 2.338 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740627803 KQSHWZDPDGKWNC-NLWGTHIKSA-N 444.557 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([S@](C)=O)CCC1 1740636195 WOHRQVWOEWXBQN-PMERELPUSA-N 426.542 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cnnn1C 1740649270 QCAPGNCJCIXQMB-GOSISDBHSA-N 433.516 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1740656312 NSRWPGUWXNTQPX-LJQANCHMSA-N 426.542 2.087 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CC1 1740839568 LDQOXSNGHZAPGQ-AWEZNQCLSA-N 426.493 2.223 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1740991343 UNZCBRBSBXLKKB-OALUTQOASA-N 443.573 2.132 30 10 IEEE CC(C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741341988 PUINDQJOCAVCCO-IGGDJGDASA-N 428.537 2.059 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1748816151 XSQHZSNKEOIVND-GOSISDBHSA-N 442.589 2.072 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818176 WUMLTFBXRZXAEO-IBGZPJMESA-N 443.573 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cccc(Cl)c1 1748824930 UDIGMACSCFEEBZ-QFIPXVFZSA-N 425.920 2.148 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCOC)CC1 1748987261 QXVOLQYVCGVSDU-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCCC2)CC1 1749003619 PJUIQFWAFOTNTH-DEOSSOPVSA-N 443.592 2.475 30 10 IEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749457179 OVLFDQZECPDRHY-GOSISDBHSA-N 431.516 2.368 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1749487591 FIMAZWUPOFBKKZ-HOTGVXAUSA-N 439.582 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2C)C1 1749732326 VOQYWHWQVUKZQA-PKOBYXMFSA-N 443.573 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749734776 MQIDIIRZKAXHJN-OAQYLSRUSA-N 440.610 2.242 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1749951201 UPMRMEWNEKNAQF-CJMKZDRPSA-N 446.552 2.011 30 10 IEEE CC(=O)NCCCn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@@]1(OC(C)C)CCOC1 1750047398 UPUKRSVEBOFDPV-HSZRJFAPSA-N 440.548 2.353 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1750140971 HTVKYYKKCMVANA-HAGHYFMRSA-N 433.553 2.184 30 10 IEEE CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)COC1 1750496612 MNHIUIXYNBRCAG-MRXNPFEDSA-N 432.525 2.163 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1750948284 HIHLXSOOHHCHKR-HRAATJIYSA-N 449.481 2.439 30 10 IEEE Cc1ccccc1OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1751702550 XSUHFJBPRJDIAS-QGZVFWFLSA-N 446.577 2.406 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)CC2)c1C#N 1751827571 HGYWZCKAXCHGAY-UHFFFAOYSA-N 440.596 2.412 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1760175836 SPBYCYMICIQEGX-LJQANCHMSA-N 442.589 2.073 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1ccco1 1760214301 JILVEULSOLFPIB-UHFFFAOYSA-N 447.495 2.448 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1760277537 NYKMLAPKRGIFAS-QGZVFWFLSA-N 441.557 2.045 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760526468 AKPSAEBBHFTPAF-HXUWFJFHSA-N 439.560 2.455 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNS(C)(=O)=O)C1 1760539315 MHZFJGGCZNFJQP-KRWDZBQOSA-N 439.969 2.319 30 10 IEEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1 1761390813 DSMOATPPHFKERK-SJLPKXTDSA-N 433.472 2.122 30 10 IEEE C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1761396539 PCMSSDNWCCTDCM-CYBMUJFWSA-N 438.923 2.479 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1[C@@H]1C[C@H]1CF 1761473399 PEGBJMMJXYPGFI-RPVQJOFSSA-N 432.525 2.459 30 10 IEEE CCOCc1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1766300450 HAUDRDDTFIXKED-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C#N)o1 1769279268 HRUACFHWJAFFNC-UHFFFAOYSA-N 438.488 2.438 30 10 IEEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)ccc1Cl 1769854835 DDVZZODLCZKXGG-DZGCQCFKSA-N 437.953 2.486 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C1 1770727536 GUCNDJJEWKSAQR-KDOFPFPSSA-N 437.401 2.328 30 10 IEEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCC(N4CCC(C#N)CC4)CC3)cn2)cc1 1848751427 YRJTVUUJFXSKDC-UHFFFAOYSA-N 435.528 2.145 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCCN(c4nnc(Br)s4)CC3)cnc21 1851683875 VZBPKWIQPRXIHB-UHFFFAOYSA-N 446.334 2.411 30 10 IEEE Cn1ccnc(N2CCC(N(Cc3ccc(F)nc3)C(=O)c3cccc(C#N)c3)CC2)c1=O 1853538014 WZRWMNXWTMKLHD-UHFFFAOYSA-N 446.486 2.497 30 10 IEEE CCOc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1F 1854362954 UPSMTHBPHSFIJZ-MRXNPFEDSA-N 434.445 2.186 30 10 IEEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862177589 FPFJOTDSHPASCK-FXAWDEMLSA-N 439.512 2.018 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccc2C(=O)O)cc1OC 1862572892 OPZNBJJDDDIIIN-CWTRNNRKSA-N 441.436 2.361 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCNC=O)cc1O 1862679077 ZQASVSVLJJEKBH-LJQANCHMSA-N 428.416 2.254 30 10 IEEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869930261 VUKOBDCKNYBIBN-UZLBHIALSA-N 429.542 2.161 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)Nc1c(C#N)nnn1-c1ccc2c[nH]nc2c1 1870098920 YVNCVXLQCBDRDD-UHFFFAOYSA-N 429.849 2.478 30 10 IEEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107403 HZKUCKWVAUACHP-UHFFFAOYSA-N 434.843 2.476 30 10 IEEE C=CCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2cccc(OCc3ccccc3)c2)[nH]1 1871634372 RZOFRUBNQMGFFJ-UHFFFAOYSA-N 431.544 2.388 30 10 IEEE CC#CCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390333 CWFIZAZSNKIXGC-HXUWFJFHSA-N 427.478 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@]2(CN)CN(C(=O)OC(C)(C)C)C23CCC3)[C@@H](C#N)C1 2018787293 VYUSEYUYALQAGP-AOMKIAJQSA-N 435.569 2.302 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)nn1 2060628379 WNWOYHDYIYWWSI-UHFFFAOYSA-N 435.334 2.157 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2224097570 MMQMFZKVAOBDNW-IAGOWNOFSA-N 431.342 2.205 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C 2255615345 QMEZXEPURRXWGV-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE C[C@@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255649126 HULXDFWYEKTXLU-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1c(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822973 QYVKLTMGSIJPQH-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC(C)(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255844499 XNWOOTGVGKPFCQ-UHFFFAOYSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](C#N)C1 2255850429 HTLSQZRZADMKEV-CQSZACIVSA-N 431.298 2.164 30 10 IEEE C[C@@H]1Cn2[nH]c(=NC(=O)C#CB3OC(C)(C)C(C)(C)O3)cc2CN1C(=O)OC(C)(C)C 2255857126 FURKWPOMLLFTRQ-CQSZACIVSA-N 430.314 2.018 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255879369 OFHVRFHUSKFPGA-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256021701 JQKVTHVDCNVTLE-UHFFFAOYSA-N 433.358 2.209 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126493 LUFUFQGOBVXJBS-GOSISDBHSA-N 438.381 2.456 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142486 VCRFPTNUWUOLRN-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE CCn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267491464 DNICTIJPHTZOLI-GJZGRUSLSA-N 448.373 2.187 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 2267525476 FBVFJWMXHQNMTK-IBGZPJMESA-N 438.381 2.422 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550279 XHOIDTRHYILBCD-GOEBONIOSA-N 446.357 2.294 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2268643478 KQCUKTHCXVXMLH-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2278702451 RZLOLVMFIQONEC-QAPCUYQASA-N 448.369 2.185 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)OC1(C)C 2282673192 SCHIMQCZNJSGCY-PMACEKPBSA-N 448.376 2.370 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303621211 AXCOCSJOGSBFBA-INIZCTEOSA-N 432.351 2.140 30 10 IEEE CCOc1ccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OCC 2325716750 REQCZHBHPYLVCF-UHFFFAOYSA-N 446.525 2.073 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)n1C 2337285065 JEGGLLDVNXMVOZ-LPHOPBHVSA-N 438.381 2.421 30 10 IEEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2352396238 MAKOYPNYCWOVTP-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE C=CCn1c(=O)/c(=C/c2ccc(OC(F)F)cc2)s/c1=C(/C#N)C(=O)NCCCC 9540432 GOOVQIOXYRHRDE-XXNLHLTISA-N 433.480 2.117 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)ccc1O 58994987 QFYUJHUZRXQRAM-DNTJNYDQSA-N 442.457 2.424 30 10 IEEE O=C1NCCN1c1ccc(C#CCNS(=O)(=O)c2ccc(Br)cc2)cc1 96353182 JUHFWIXQCWDFQY-UHFFFAOYSA-N 434.315 2.309 30 10 IEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(O)cc2)cc1 103100942 PICTZUPABGHIER-GOBJLOIFSA-N 427.453 2.222 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440372435 FCJZXTOUWBKEKL-CQSZACIVSA-N 428.473 2.354 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1C 461308966 QBIJZDNZLJPXSH-UHFFFAOYSA-N 438.513 2.323 30 10 IEEE CC(=O)N(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 467425236 MZXQQXOOHRGSBJ-UHFFFAOYSA-N 441.513 2.079 30 10 IEEE C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480946730 DJZXSLFIXGQUDD-UZLBHIALSA-N 448.548 2.144 30 10 IEEE COc1cccc(C=c2sc(=CC(=O)C3CC3)n(Cc3ccccc3C#N)c2=O)c1OC 502475893 XHJYMWTUWZKXLB-UHFFFAOYSA-N 446.528 2.435 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CNS(C)(=O)=O)CC1 510168386 IHSTXXUMQHDTCG-CQSZACIVSA-N 438.619 2.477 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)cc1 514646802 MBLJOJOZSIWXMO-UHFFFAOYSA-N 437.496 2.074 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N(CCC#N)c1ccccc1 524443455 YYMQCJKJPKIYLS-UHFFFAOYSA-N 440.525 2.211 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 535890505 BXRNKYZXFWTPOC-SUMWQHHRSA-N 432.492 2.485 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 540200032 ZPNIGUVSKPKZCK-PRTQVNTJSA-N 429.476 2.394 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C 543146296 IOWVTHNPXCPVPI-UHFFFAOYSA-N 438.559 2.450 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 565257837 BRFREVNETCXLHJ-GFCCVEGCSA-N 428.356 2.483 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4COCCO4)n3CCc3ccccc3)CC2)c1 576952265 ZUXUZNMZDMBBBT-NRFANRHFSA-N 445.527 2.202 30 10 IEEE CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586858935 MRLFSRLZNFBFBC-FGZHOGPDSA-N 443.567 2.109 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OC)nc3)c2=O)cc1 588892227 NMUGTJIUUSLEDB-UHFFFAOYSA-N 447.516 2.183 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)c(SC)cc1OC 607355332 YKFUAKGKJQQGLB-UHFFFAOYSA-N 430.551 2.058 30 10 IEEE CCN(CC)C(=O)[C@H](C#N)[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)[C@H](C#N)C(=O)N(CC)CC 616582956 WSDQAIKSDFQYIS-JLVBRIDZSA-N 445.476 2.106 30 10 IEEE in-vitro C#C[C@@]1(O)CCCN(S(=O)(=O)c2cc(Br)sc2Br)C1 708216661 WCUUATDKAAEWLW-LLVKDONJSA-N 429.155 2.422 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCC(=O)N2CCOc3ccccc32)cc1 731767917 RQORLVTWRAGAKR-LJQANCHMSA-N 435.480 2.269 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccccc3N3CCCCC3)CC2)o1 733590854 BRPORLIJBARHDX-UHFFFAOYSA-N 437.500 2.351 30 10 IEEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NC1CCN(c2ccccc2C#N)CC1 749530770 QKAMVCITEPCYGS-UHFFFAOYSA-N 429.484 2.147 30 10 IEEE COc1ccc(-c2nnc(SCCS(=O)(=O)c3cccc(C#N)c3)n2N)c(OC)c1 753969065 RWTSCJZFWVZUIZ-UHFFFAOYSA-N 445.526 2.114 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2sccc2OC)c1=O 758060701 JGOTUCWSRFFFSX-UHFFFAOYSA-N 436.514 2.008 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCc2nnnn2CC(F)(F)F)cc1 762217155 ZLPZWRCKXOBDSK-UHFFFAOYSA-N 429.403 2.097 30 10 IEEE COC(=O)c1ccc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1F 768810584 QPFOGACVJHEMRC-UHFFFAOYSA-N 441.234 2.365 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 777754425 DUZOAQXFSWLKOX-SOLBZPMBSA-N 443.552 2.214 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCC1CS(=O)(=O)C1 786684073 VIPWKXPUJLNHBG-KRWDZBQOSA-N 435.571 2.030 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](CC)(c3ccc(Cl)cc3)C2=O)n1 788370678 WMLCKMSNRSHKBE-JOCHJYFZSA-N 443.935 2.433 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 800631248 KSPXFJQIYNLZFM-GOSISDBHSA-N 430.549 2.411 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(F)F 808318762 XGHDPGZLDRJSNG-ZDUSSCGKSA-N 431.461 2.442 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2c3c(nn2C)CCCC3)cc1 812924322 IZBZDIBXGSCAOK-LKUDQCMESA-N 444.561 2.433 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C)cc1F 813667341 UOIXNWDSZDNPAR-KRWDZBQOSA-N 431.489 2.319 30 10 IEEE COc1ccc(C(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084412755 QAFSLIBNDMXRMO-UHFFFAOYSA-N 429.506 2.040 30 10 IEEE COC(OC)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1130352174 BOPRAABJXRLFNZ-UYAOXDASSA-N 436.468 2.240 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)nn1 1131370468 NOAFRRDCKBKJPE-UHFFFAOYSA-N 440.504 2.110 30 10 IEEE Cn1cc([C@]2(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCCO2)cn1 1134792478 MEABOBIWKIVJCG-QVKFZJNVSA-N 427.892 2.120 30 10 IEEE N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 1136331552 CDNASMULAFSOML-QGZVFWFLSA-N 428.514 2.186 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1136365844 MFYSSTKPQRONLT-CMDGGOBGSA-N 438.509 2.143 30 10 IEEE C#C[C@@H](CO)NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 1141496228 NGIPTMLAFPKVBZ-ZDUSSCGKSA-N 434.233 2.267 30 10 IEEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1153815107 LCJWYGVNPODCLJ-ZDUSSCGKSA-N 428.385 2.500 30 10 IEEE C[C@](CO)(Cn1cnc2ccccc21)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1159283816 AVJORCGKTOHSNZ-JOCHJYFZSA-N 440.525 2.295 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)c1 1165621550 QBGDEVBZKQBTAP-HXUWFJFHSA-N 444.369 2.326 30 10 IEEE C#CCC1(O)CCN(C(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)CC1 1222171213 QRVDCUSMBUIOBZ-UHFFFAOYSA-N 443.525 2.337 30 10 IEEE CC#CC[C@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1222481877 OHNKAJWBCMCKKJ-NQIIRXRSSA-N 430.526 2.262 30 10 IEEE CN(C)c1cccc(S(=O)(=O)N(C)C)c1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 1271439590 ABPVJQAZTVSZAY-UHFFFAOYSA-N 438.513 2.313 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1286316608 JUOXQIQOLOWXIG-QFIPXVFZSA-N 444.557 2.148 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286466328 HGEYFTRSORTWOT-UHFFFAOYSA-N 440.548 2.217 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286604332 ILFRVXZCQXCWDB-CZUORRHYSA-N 449.353 2.343 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286712072 SBAIRUPCSKGKHF-AEFFLSMTSA-N 448.593 2.020 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286776034 VUMNAFFNJJQAIQ-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286782541 YCPCPFFLQLEJBF-HNNXBMFYSA-N 442.589 2.245 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1286787595 XDJABGWOVKDZCQ-GOSISDBHSA-N 439.907 2.269 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC(OCC)C2)C1 1286810353 PTRCSKCHPMWRNF-YBXZHIRMSA-N 438.594 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2ccco2)C1 1286821578 PQLXPPAWHZSBKN-GOSISDBHSA-N 427.530 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1cccs1 1286821887 DFLRYOAWAZDDDS-OAHLLOKOSA-N 437.591 2.260 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1286967638 FURSSSYKSIHYDD-WBVHZDCISA-N 438.598 2.033 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1288999259 LEMKQDFMESXVML-DLBZAZTESA-N 428.924 2.166 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)nn(-c2ccccc2)c1N 1290748303 SLKNPEHCFYVOGY-HXUWFJFHSA-N 442.523 2.424 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1290985139 FBSBZYGPRQCPJB-WBVHZDCISA-N 426.546 2.149 30 10 IEEE C[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1C(=O)OC(C)(C)C 1294032381 UVJWWQSXTSRUIT-ZDUSSCGKSA-N 425.482 2.204 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCO[C@@H](C)C1 1300448987 JYGTYUMIKLTDCW-SFHVURJKSA-N 425.533 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(OCCOC)cc2)CC1 1300712411 RIOZHKAOFPZGJA-UHFFFAOYSA-N 439.560 2.441 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](COC)OC)CC1 1300718617 BPQRDMLIZSMMIB-KRWDZBQOSA-N 445.951 2.226 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccccc1 1300883679 DMIDBIJFFUXITK-ZVDOUQERSA-N 425.533 2.209 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1301260312 ZGHQOVVFBWWRNH-UHFFFAOYSA-N 432.500 2.050 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(F)cccc1Cl 1301475723 XEHFRAKHGXQXGM-UHFFFAOYSA-N 434.903 2.245 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301477708 DFZILZWKLITRPD-INIZCTEOSA-N 425.512 2.431 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301483291 NGIGGKXBETWCFJ-WOJBJXKFSA-N 441.532 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccsc1 1301567247 GBKFFRPOTGKEQW-INIZCTEOSA-N 437.591 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCC2)C1 1301577240 GIZZCLHDGWAPIW-SFHVURJKSA-N 430.578 2.006 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)cc(OC)c1 1301799446 DUTUSSYHWZKRJP-UHFFFAOYSA-N 426.521 2.246 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1303311597 DLARHWVHBKLTKL-UHFFFAOYSA-N 442.589 2.172 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1312628416 FXJHLPJAARKFKK-GUDVDZBRSA-N 441.532 2.262 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)CN1CCOCC1 1316286813 IWPBXQYHWIWRTM-GIVPXCGWSA-N 446.596 2.100 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C[C@@H]21 1316318939 BROZMMAXVDLBBH-CEXWTWQISA-N 429.546 2.113 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)C1 1316343744 MUWLKAQTMHMALY-KRWDZBQOSA-N 431.543 2.457 30 10 IEEE Cc1oc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1S(C)(=O)=O 1357543025 GXHGDLCLULOBKB-JZJYNLBNSA-N 439.515 2.057 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966749 VYMZKKXUJSRBFP-LJQANCHMSA-N 444.605 2.347 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(C)c1 1358978035 BUQDJJDJXIYYQK-OALUTQOASA-N 426.542 2.029 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(Cc2cc(C)on2)CC1 1359106032 WUGPYDPMYCFWNW-WIYYLYMNSA-N 430.553 2.414 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@@H]1C 1359292629 UHXJDHWDKLLCDT-IRXDYDNUSA-N 429.521 2.344 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1360788163 MNHLLJAWQSQIGP-NQIIRXRSSA-N 444.561 2.238 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1361097495 CCATZXDFEZJHME-YJBOKZPZSA-N 430.578 2.199 30 10 IEEE C#CCN(C(=O)[C@@H](C)c1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 1435067906 BNNCBEFCGJCQFL-SWLSCSKDSA-N 431.295 2.044 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3sccc3CC#N)CC2)cc1OC 1435230457 IBAXHFATUBLQIM-UHFFFAOYSA-N 449.554 2.414 30 10 IEEE C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439798328 UOQYCRYXCGMEIA-BTJLNZGRSA-N 429.311 2.164 30 10 IEEE CCCOc1ccnc(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 1464103015 UHUMEBBCVVHYTI-UHFFFAOYSA-N 437.479 2.336 30 10 IEEE Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1468990622 YEDXODVFDUDLGP-SFHVURJKSA-N 426.542 2.143 30 10 IEEE C#CCN(CC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1)C(=O)OC(C)(C)C 1472141126 WLAYEYYTENGCCA-UHFFFAOYSA-N 439.553 2.389 30 10 IEEE COc1cc(CNC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cc(OC)c1OC 1473838965 OJMJUHXGDYUFJV-OAQYLSRUSA-N 425.485 2.274 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccnc1-n1cccn1 1496706639 HZFCXDASDVGNIT-INIZCTEOSA-N 435.536 2.421 30 10 IEEE CC[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1497225805 CKLXJRJTNABRRD-PKOBYXMFSA-N 434.552 2.391 30 10 IEEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N(CCC#N)CC2CC2)n1 1503687361 LRPYHZISZOFTSH-UHFFFAOYSA-N 442.325 2.409 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC2(N3CCOCC3)CC2)cc1 1504304903 HNUUCDNDWQVJHO-SFHVURJKSA-N 440.548 2.326 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1507564238 NGHSGFRDSTUPJH-PXNSSMCTSA-N 443.573 2.496 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507590733 FZUUCLZSPTXCRC-UHFFFAOYSA-N 438.551 2.166 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1507629126 ZSFOEECJUZKWQF-WOJBJXKFSA-N 430.574 2.483 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccs1 1507701478 ILTWCHPBPPPKJJ-MRXNPFEDSA-N 445.545 2.464 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1507764403 LZVKIWSVOMWDGO-IIBYNOLFSA-N 431.562 2.327 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCS(C)(=O)=O 1507793065 BYOMKUTWNKSTJA-IEBWSBKVSA-N 434.562 2.416 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1507843968 ZQDJZZKTRREDHZ-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1507980300 CEMNMVJZJLSCFQ-UHFFFAOYSA-N 430.534 2.429 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CCOCC2)C1 1508095830 WIWPEQFNDJMCIB-UHFFFAOYSA-N 439.560 2.381 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C(C)(C)C)no2)C1 1508122022 BUNBPKBFLDHNQG-HOTGVXAUSA-N 449.577 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccccc1 1508131436 MIKBTLKWIKCHJO-SFHVURJKSA-N 431.562 2.359 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 1528714077 CINNBPLVTLZECL-SFHVURJKSA-N 428.510 2.395 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539224223 DFWDGIMNTHANQD-GOSISDBHSA-N 427.555 2.000 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC(F)F 1539245838 LAPDWNFYMKZMPM-UHFFFAOYSA-N 436.260 2.162 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1539370076 SRLZMDRTCYVDMO-SFHVURJKSA-N 443.573 2.404 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(=O)OC(C)(C)C 1540058513 WIXZRURWEQIHCT-UHFFFAOYSA-N 439.524 2.410 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CCOC)C1 1540899341 KUQSARUEFPRTJY-GOSISDBHSA-N 429.546 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1540903679 GVCIZCAXBGRGJL-QFBILLFUSA-N 436.553 2.470 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540917300 RPTMTSGOQDUCFV-QGZVFWFLSA-N 434.610 2.428 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1541246802 BNGHXYJZUYELJX-HTZLVSCSSA-N 425.533 2.487 30 10 IEEE CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541304461 BTCPAADLFJWYPM-PXNSSMCTSA-N 428.512 2.170 30 10 IEEE C[C@H]1c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2CCN1C(=O)OC(C)(C)C 1542978262 LOQBNUOUHFKMOH-AOMYARPXSA-N 443.504 2.056 30 10 IEEE N#Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)nc1Cl 1544537127 UCXJGRAGAKLRQY-LJLILKBBSA-N 429.889 2.410 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)OC 1545886557 DPJZIAFQXCTXHN-UHFFFAOYSA-N 441.536 2.156 30 10 IEEE CCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547160249 AHGCGBXQHKAOSH-UHFFFAOYSA-N 436.545 2.273 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1547307695 FEYCXORBVRNUKU-IXDOHACOSA-N 434.541 2.156 30 10 IEEE CN(C)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)cn1 1552821663 AEEYPYSWQDQFJG-UHFFFAOYSA-N 446.559 2.094 30 10 IEEE Cn1cccc1-c1nnc(N2CCSC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1554350397 LFHQKUXQTMQFRE-ZPHPHTNESA-N 441.561 2.142 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1554607406 HHDPCJVZQLOULJ-QGZVFWFLSA-N 436.520 2.272 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1555428480 DPCZGZLMYFKXHS-GOTSBHOMSA-N 441.532 2.133 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@@H]2CCCO2)c1 1555986540 NIOWQKRLAQFFEP-KRWDZBQOSA-N 439.438 2.373 30 10 IEEE Cc1c(NC(=O)[C@H](C)SCC(=O)N2CC[C@](C)(C#N)C2)c(=O)n(-c2ccccc2)n1C 1557620020 OFTUQSOEHYYTSV-KSFYIVLOSA-N 441.557 2.307 30 10 IEEE CC(C)(NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCCO1 1560084895 GEOGWEYZJAPSHF-GOSISDBHSA-N 427.505 2.392 30 10 IEEE CC(C)CC(=O)N1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1560087561 HFEYOJFNNPPAQV-IBGZPJMESA-N 431.606 2.037 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)CC1 1562848972 LNVYLAJJAULDKX-UHFFFAOYSA-N 435.427 2.070 30 10 IEEE CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(C)(C)C 1570910779 SANBYPWBINDQFQ-IBGZPJMESA-N 434.606 2.474 30 10 IEEE C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585139255 UOQYCRYXCGMEIA-BNLOLNQZSA-N 429.311 2.164 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 1587803746 MAYBTEVMEPKPRV-UHFFFAOYSA-N 430.516 2.363 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 1587862398 WHXGDCRDCNKWFL-IBGZPJMESA-N 431.562 2.051 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCNC(=O)c1cc[nH]n1 1587940297 RFVRATFVBKHXNY-UHFFFAOYSA-N 445.483 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1588074612 PBWZSINXIBCUAF-ROUUACIJSA-N 442.564 2.135 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1588134357 XCKFMXJZWAUDPK-LJQANCHMSA-N 437.548 2.431 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1588166805 PUEFPUKENWBYCS-HTAPYJJXSA-N 445.589 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2ccccn2)CC1 1588929870 IEIZFYNEDJQZPI-IBGZPJMESA-N 436.560 2.121 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ncc(CC)s2)CC1 1588967997 DMOMOKAGTLVLGB-GOSISDBHSA-N 442.589 2.357 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1589110003 NCZWKTCJEKGPCS-INIZCTEOSA-N 446.602 2.110 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1589207600 NUBYLSSYKMFNET-NTKDMRAZSA-N 434.544 2.166 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1589216429 OLTACHPKAUCHMZ-XMSQKQJNSA-N 433.622 2.437 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594498117 QNXRCSOEZDODJD-IAGOWNOFSA-N 430.553 2.247 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC2)CC1 1594783534 CVEBVUISOPAAIF-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1595753438 IAFWJIWBCMSFHX-DLBZAZTESA-N 449.552 2.205 30 10 IEEE CC(C)(C)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597168811 MWDLMJMBSUGWRP-SKQREZPOSA-N 442.564 2.355 30 10 IEEE Cc1c(Br)cccc1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1597490810 DKVXKNROCWDYOS-UHFFFAOYSA-N 436.331 2.155 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1598241826 AXTCVRBYAKCQLM-GEYWLOKFSA-N 448.568 2.185 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](c4ncc(C(=O)OC)s4)C3)cc2C1=O 1598372273 ALKRKCQRWXJBQN-CYBMUJFWSA-N 425.466 2.341 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1612816203 DONDJOUUHQROGT-KRWDZBQOSA-N 430.578 2.172 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1=O 1615834636 SEAZEEIEBRTIJN-UHFFFAOYSA-N 445.483 2.300 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 1623472041 ZRTXJARMSFJNRQ-QFIPXVFZSA-N 426.538 2.287 30 10 IEEE C/C(=C\C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)CN1CCOCC1 1628597816 YBPRXGWUFPLATQ-BBKFTCMMSA-N 447.377 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1628900681 JWXQDQNWXFTFAL-AUSIDOKSSA-N 446.523 2.297 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)c1 1629703758 KCOGIOQORMPUCW-UHFFFAOYSA-N 429.485 2.170 30 10 IEEE C[C@H](CN1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1630498010 FYQDLWXXMMGRKN-HLGQQVFSSA-N 436.578 2.186 30 10 IEEE COC(=O)[C@@H]1C[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 1636944402 BUFVUEOSKQERAX-XWIAVFTESA-N 441.509 2.022 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CCN1C1CC1 1637952804 JSQIYOMYFXJTRW-NVXWUHKLSA-N 432.322 2.084 30 10 IEEE C[C@@H]1COCCN1C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1638000249 ZFDWBLYBZLRREA-HOVNMXBBSA-N 446.592 2.485 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1638678924 AJSXFKLPTNFWCP-IEBWSBKVSA-N 447.511 2.163 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4ccsc4C#N)CC3)C2=O)cc1 1640439461 LFDLMWIDVJXTFH-KRWDZBQOSA-N 448.508 2.045 30 10 IEEE CCOC(=O)c1nnn(C2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c1C(F)F 1642445454 IQBAEBUXCXBVRO-UHFFFAOYSA-N 434.403 2.150 30 10 IEEE CCS(=O)(=O)CCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1642815883 HEDRPYNACYJWIH-GOSISDBHSA-N 435.546 2.334 30 10 IEEE C[C@@]1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)OCCc2ccccc21 1643575424 ALTRVPKEHCCHHO-QFIPXVFZSA-N 427.526 2.110 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1 1644926206 KNMANXJFZFXQQA-PGRDOPGGSA-N 447.557 2.260 30 10 IEEE C#CCOCCN(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1648263925 AWKXCEZBBNXZBV-NRFANRHFSA-N 440.544 2.475 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 1654067890 RKYGPXXAAVEBAP-UHFFFAOYSA-N 427.570 2.428 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CCN(C(C)C)C3)nnc12 1654637405 JFYUJCJGKPKICX-MRXNPFEDSA-N 440.573 2.263 30 10 IEEE COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1654909605 QAERVAFKRXJBRK-ROUUACIJSA-N 443.500 2.114 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)c1cccc(C#N)c1 1654984793 SZZAWKXFTVJJDQ-DHIUTWEWSA-N 435.503 2.072 30 10 IEEE C#CCN(CC#CC)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 1657420335 VPGLRUTXNCVUMQ-CAPFRKAQSA-N 439.537 2.196 30 10 IEEE C#Cc1ccc(NC(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c(Cl)c1 1673381654 PVGVNGWYAPZLFC-GFCCVEGCSA-N 434.905 2.378 30 10 IEEE C#CCN(C(=O)N[C@@H](C)c1ccc(OC)cc1Br)[C@@H]1CCS(=O)(=O)C1 1685940401 BKBSZICPPAWYKT-QWHCGFSZSA-N 429.336 2.351 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1 1687336888 DZSISYCKUVZDGG-UHFFFAOYSA-N 436.491 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCN(C)CC1 1689823858 BGAHLJQUMPLKRH-INIZCTEOSA-N 427.578 2.211 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)cc1 1689847510 BADYEKLQGVJKCK-INIZCTEOSA-N 434.500 2.202 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)nc2)c1 1689868507 ISCLQPSLLUUGLD-UHFFFAOYSA-N 445.527 2.224 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2c(C)noc2C)c1 1689870169 DQKFGZRQSVERJL-UHFFFAOYSA-N 444.499 2.388 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1690073760 FVEPZHIXPWCTQH-UHFFFAOYSA-N 449.559 2.289 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1690264794 DBSAFKKNWNDSNH-RZFJCUDFSA-N 433.597 2.454 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1690668238 XWMPFZGTYDGTLK-PKOBYXMFSA-N 439.564 2.164 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](CC)C2)cc1 1690679989 FROOPQVDLMJGBJ-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1690697481 WEFHYPOTJARVQD-ZACQAIPSSA-N 448.568 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCC2)C1 1690717943 VVQRFTNJHVMDOK-UHFFFAOYSA-N 447.517 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1CCOC1 1690723139 JFJWOFOAIOFGSZ-QGZVFWFLSA-N 443.529 2.426 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(OC)c1 1696331517 IAFYUKQWFXMIHM-UHFFFAOYSA-N 433.516 2.465 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1696709347 ZQPPWOBFJBLPTM-UHFFFAOYSA-N 430.472 2.096 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)cn1 1696861139 ANTQPFGYAKMSCD-UHFFFAOYSA-N 432.444 2.115 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1698170870 NNJNOJOECNERLS-FPDPHYFHSA-N 449.939 2.292 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1698318465 ZYEUWHKJGXSFOO-MRXNPFEDSA-N 438.504 2.238 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1705479407 LJCXWEWJTZZQPY-KKSFZXQISA-N 431.562 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1705479624 KHHPIORSKCRCOR-STQMWFEESA-N 440.367 2.318 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705527065 VGUHOLGWQNPLTL-CRAIPNDOSA-N 442.472 2.498 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705535382 LDOWYKBVDSDSED-UHFFFAOYSA-N 428.968 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)N1CCOCC1 1705600532 CALAWHVWOYXTRK-OAQYLSRUSA-N 435.572 2.256 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1705652140 QUXGWWUJTKCZOT-MJGOQNOKSA-N 447.630 2.324 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705662453 ZGAIUJZXNPSDCW-DLBZAZTESA-N 435.594 2.499 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705685827 JXCSVUUQMLJKPD-MELADBBJSA-N 435.388 2.339 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705794700 QWHXHYNTUQIKIG-SFHVURJKSA-N 449.625 2.212 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1705900079 PJVBBFZDPRMYNN-LJQANCHMSA-N 442.470 2.442 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1706079766 RFMNKKGVFIEMPI-MWTRTKDXSA-N 433.516 2.336 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2ccsc2)N(C)C)n1 1707832430 BRHJHYSQFGOGJX-OALUTQOASA-N 440.577 2.233 30 10 IEEE CCOC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710389676 GBIWFLYPOUDVHY-INIZCTEOSA-N 435.536 2.465 30 10 IEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1722319043 HVAFKNHHLGGZFM-UHFFFAOYSA-N 434.544 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)Br 1722386647 FZJCSYDZBHWEBV-UHFFFAOYSA-N 442.289 2.330 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722412080 URBGDUGCWBPKQC-GUDVDZBRSA-N 435.638 2.396 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1722472869 UZQZBDZEPJHROL-XMMPIXPASA-N 430.512 2.168 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1 1722530127 AKJKXXHTUUSZLB-UHFFFAOYSA-N 434.562 2.150 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722558050 BTRHVLYXWFWADX-UZLBHIALSA-N 438.960 2.112 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1723085953 HQITZLVJLOPXKI-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1724009255 DATUEKVELCINEW-JOCHJYFZSA-N 440.523 2.420 30 10 IEEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)NC(C)C)n1 1724494356 LUBZDSMKQZMQNA-UHFFFAOYSA-N 446.515 2.098 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C(N)=O)CCCC1 1727002710 GUYYUYHRCCIAOU-QGZVFWFLSA-N 436.564 2.431 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)COC 1740539679 QRUIZJRONQRMAI-INIZCTEOSA-N 433.578 2.326 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1740576232 ZJLURZFXZXCSQK-UHFFFAOYSA-N 449.559 2.052 30 10 IEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740594627 TUDFMEHIVLWBBQ-GGAORHGYSA-N 436.604 2.263 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1740632005 FUZODBWPMNMOBJ-XMMPIXPASA-N 436.512 2.097 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@@H](C)C1 1740680604 IJPALDWUPWRBLM-ROUUACIJSA-N 446.573 2.250 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1740834939 BDLTVFKBXNCWIL-HSZRJFAPSA-N 425.533 2.480 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(N)=O)cc2)CC1 1740839524 KRWXTNQDOGCIGX-QGZVFWFLSA-N 444.561 2.122 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740878731 TYIDXNDUMUMKPX-UHFFFAOYSA-N 426.550 2.187 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)NCC)cc2)C1 1740979400 DUWRAJKFYCBPSS-PMACEKPBSA-N 425.533 2.361 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1741001164 MKPBNVQDKKMSRS-MSOLQXFVSA-N 444.609 2.273 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1741698447 BFPCYVAGRWXZDJ-CJNGLKHVSA-N 436.438 2.497 30 10 IEEE CO[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1748389085 ZLRQAHAWBLZZCK-QEEYODRMSA-N 438.504 2.063 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1748757747 JWJZISDYXFIXPQ-UHFFFAOYSA-N 426.565 2.043 30 10 IEEE C#CCN(c1nnc(C)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804364 GJYLBSGSLXWYPX-NQIIRXRSSA-N 429.590 2.124 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748815098 NJIWHCWYMUQIAU-HKUYNNGSSA-N 445.589 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCn2cc(C)nc21 1748969439 VIZWCCYBXUUTSU-HXUWFJFHSA-N 436.564 2.308 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1749000224 PTOOSVFAWWHUBK-ZWKOTPCHSA-N 432.569 2.046 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749457562 RXJHDFLNKUTPRF-ZWKOTPCHSA-N 446.596 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749730954 WXUBXIPXLZXXKP-UHFFFAOYSA-N 445.467 2.222 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1760142560 GLYXSWZIZMEEDC-QGZVFWFLSA-N 425.489 2.310 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760144325 LTJAJKFYUOBTCA-JOCHJYFZSA-N 427.553 2.095 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1760155213 UBABQFZVITVGRN-KRWDZBQOSA-N 431.537 2.059 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCS1(=O)=O 1760164510 UKNAMOSCXXUTBD-SFHVURJKSA-N 431.562 2.140 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760170679 MKJLDOIHKUJXNB-QGZVFWFLSA-N 434.500 2.164 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)c(OC)c1OC 1760179772 ZETSTGYHZHLHPM-LPHOPBHVSA-N 430.505 2.146 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760180530 GYRDGEYMKRDYBH-MOPGFXCFSA-N 430.574 2.218 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760203703 NNWVVDRTAWULGP-LJQANCHMSA-N 445.976 2.019 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760306342 FTKXJEJCFASBSV-RRFJBIMHSA-N 445.383 2.094 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CCOC)C(=O)C1 1760325476 QAABDAZJZWXEAW-NQIIRXRSSA-N 445.589 2.207 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1760366963 LXZXEWSUNGMYGE-MRXNPFEDSA-N 431.928 2.348 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1760400828 PAUIRQLAAFVJEV-FQEVSTJZSA-N 438.580 2.080 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760524850 LIFSXKYSGFHAGT-LPHOPBHVSA-N 428.968 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)NC(C)C 1760552881 DSVGEXCDBDPFNT-UHFFFAOYSA-N 439.969 2.160 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCCCCO)n1 1761954752 GNOUNTIFIDVBAA-UHFFFAOYSA-N 432.532 2.404 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@H](C)O1 1763577761 CVBXIDXQXXNEOE-GOEBONIOSA-N 448.474 2.114 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1765472593 QJDDAPITWDLTFB-PWIZWCRZSA-N 449.559 2.084 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1766757590 GXZPWHUGXPLEIB-UHFFFAOYSA-N 431.460 2.198 30 10 IEEE CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1769574614 AIKNJRCFJSSNGT-QAPCUYQASA-N 429.546 2.256 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccoc1 1770043826 JETMEMDFBDYKCB-QGZVFWFLSA-N 437.504 2.237 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCC#N)CC1 1850851906 KNBQPQHPRCKGTB-KRWDZBQOSA-N 446.495 2.066 30 10 IEEE N#C[C@@H]1CC12CCN(C(=O)CN1N=C(c3nc(-c4cccc(F)c4)no3)CCC1=O)CC2 1850895766 VWYYPGVORBYLLL-HNNXBMFYSA-N 436.447 2.354 30 10 IEEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 1855491973 OMUKYPBWGAPQMD-HUUCEWRRSA-N 428.480 2.242 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861787036 AWXTXZCVCQTLBA-KRWDZBQOSA-N 428.401 2.160 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(=O)O)cc2)cc1F 1862640821 SBNPQCQYKWKWET-BBATYDOGSA-N 429.400 2.492 30 10 IEEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870112659 OYHRWBJTEQRAKB-UHFFFAOYSA-N 440.822 2.355 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CSc1nnnn1C 1870198010 OLPLFUGLVLJSGO-UHFFFAOYSA-N 426.502 2.176 30 10 IEEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873593025 BQYQKDZZZLTVRI-INIZCTEOSA-N 438.507 2.194 30 10 IEEE CC(C)(C)OC(=O)N(CCNS(=O)(=O)N1CCC[C@@H](C#N)C1)OCc1ccccc1 1982313325 GMOVFFNBVRRPFE-SFHVURJKSA-N 438.550 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060634879 FHLIGCXLHSZEAG-MWDXBVQZSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC(O)C1 2067743647 SFPGEODTMICZDD-MMXNSUMOSA-N 436.358 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128723826 FAYYABXZGURMSR-GOSISDBHSA-N 446.353 2.238 30 10 IEEE NCC#Cc1cccc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 2145992572 ZYYSGIAXDPKCLL-UHFFFAOYSA-N 425.510 2.205 30 10 IEEE C[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247922662 LKBYDZBZHLGCBK-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2253616404 BCMDRRLZXXASRB-FXUDXRNXSA-N 436.358 2.297 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)co2)OC1(C)C 2267011185 AOABEBLCVOCPDM-UXHICEINSA-N 438.333 2.304 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)n1 2267184322 MBDZAAZPXIQRPA-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE CCN(CCN(CC)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267263236 CKUOWMXYVDMKAR-UHFFFAOYSA-N 448.373 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2267521580 QGEOKEGECVOYDB-VNQPRFMTSA-N 446.357 2.227 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2267525881 KHNNMSBIVDCPHC-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528896 VMGBSOWBVMJOOY-LJQANCHMSA-N 438.381 2.422 30 10 IEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268706273 NIJKTMRFFDMHOY-UHFFFAOYSA-N 447.341 2.392 30 10 IEEE N#Cc1cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1Cl 2270522325 NOMLVYHGSUGSMB-INIZCTEOSA-N 437.861 2.333 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271375018 WDBHDRIDFRPYMG-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@H](O)C#Cc1cccc(Br)c1 2278744663 SXOOGFBSQAJQLP-HZPDHXFCSA-N 446.363 2.490 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278783142 FALYGXCIAYUJBO-SFHVURJKSA-N 442.331 2.452 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@H]2C2OCCO2)OC1(C)C 2282492863 TYBRUWXZOATDLE-HNNXBMFYSA-N 443.758 2.165 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)cc1OC 2296614110 LXTLCSAGVIJNRW-LJQANCHMSA-N 428.489 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302969617 LHPDOFQUWPLEEO-HSZRJFAPSA-N 446.569 2.306 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2312861679 UVRHSECFXVTBAA-UTSKFRMZSA-N 436.358 2.155 30 10 IEEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1 2318584400 APNPSVMNDDYDSM-IRLDBZIGSA-N 435.524 2.334 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2328573926 LVUFWWBBYMPUFT-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE Cc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)c(C)c1 2328889936 SXQKQTIQOSBTBX-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE CCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 15445404 WVUQWEOHWVUNHP-SFHVURJKSA-N 426.542 2.306 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 17187693 WZTCXFKUKPYBHW-MRXNPFEDSA-N 447.513 2.079 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2C)nn1 23691822 WBLIBJHUZNFXOY-UHFFFAOYSA-N 431.500 2.199 30 10 IEEE COC(=O)c1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCCCO)C2=O)cc1 59446366 KIVSOIYJTZCKTK-GOSISDBHSA-N 441.509 2.498 30 10 IEEE C=CCc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CCOC)cc(OC)c1O 60790825 KWYHZYASUZWXAF-UHFFFAOYSA-N 428.489 2.298 30 10 IEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3cccc(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1 102718297 HITKLSXATNTMCT-GOBJLOIFSA-N 438.480 2.465 30 10 IEEE C=CCN1CCC(NC(=O)CCn2c(C)ncc(-c3nc(-c4ccccc4)no3)c2=O)CC1 222855547 FMNMPOTVXLWUEY-UHFFFAOYSA-N 448.527 2.425 30 10 IEEE N#Cc1ccc(NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(Cl)c1 426127224 HVPBETMGRXCCFO-UHFFFAOYSA-N 426.926 2.306 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4ccnc(O)c4C3)nnc12 427794922 WTIYJSSDCKGKOV-UHFFFAOYSA-N 448.508 2.008 30 10 IEEE CS(=O)(=O)CC[C@@H]1CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 428841680 PLSXNFFEBJAZEK-SFHVURJKSA-N 430.492 2.462 30 10 IEEE CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 439611480 MXZJNOMLHHQFKO-GOSISDBHSA-N 435.546 2.366 30 10 IEEE COCCCNC(=O)C1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446633841 ATBDBMHONXHDEY-UHFFFAOYSA-N 443.548 2.218 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 461894929 QWNDXYAPZODNTR-OXJNMPFZSA-N 427.526 2.070 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482559788 PGHNGZCAEJNTLG-CQSZACIVSA-N 427.551 2.140 30 10 IEEE COc1cc(OC)c(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(OC)c1 506802997 FMIPWZNRIXLVQB-UHFFFAOYSA-N 431.514 2.091 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccccc1 520624717 XSPAVQBZQFLUSL-UHFFFAOYSA-N 433.508 2.211 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 523578795 FKVONOJASPSYTK-SFHVURJKSA-N 426.538 2.216 30 10 IEEE Cc1[nH]ccc(=NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1Br 525849346 REQKMOLLTFDPGV-OAHLLOKOSA-N 442.273 2.290 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n(-c2ccccc2C)n1 534157803 JWKLHANEDMJAHH-UHFFFAOYSA-N 429.484 2.043 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)C)CC1 559088454 PFZACKXSSVGXGT-UHFFFAOYSA-N 448.575 2.415 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H]2CCOC2)cc1 559178539 USNYUXGRTMTEGG-LJQANCHMSA-N 440.511 2.447 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(F)cc1 609350499 VRHULDJGKLLTML-UHFFFAOYSA-N 443.450 2.346 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2c(Br)cnn2C)c1=O 683733711 CQOIYLMFYIFZAI-UHFFFAOYSA-N 449.374 2.078 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCc1cccnc1 727815973 LNIOHJWNAMIIFF-UHFFFAOYSA-N 428.517 2.363 30 10 IEEE Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c12 731862377 FBSBWQIVKXDXHL-BSYVCWPDSA-N 430.468 2.200 30 10 IEEE N#C[C@@H]1CN(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCN1C1CC1 732677365 LWRKRHHGUSVIPN-OAQYLSRUSA-N 430.984 2.234 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CCN1C1CC1 732705988 AUKKNOBNPIEKPR-IBGZPJMESA-N 449.486 2.144 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCCC#N)C1=O 735226388 XFUGLERCVWOGOS-GOSISDBHSA-N 445.545 2.109 30 10 IEEE CCN(CC)CCn1ccc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 737197431 DDIRPXNQAUVLKN-OAQYLSRUSA-N 436.560 2.120 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 747246600 FRJJBEFUBCWOEG-RAXLEYEMSA-N 427.526 2.497 30 10 IEEE CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 752411526 SHGZYMZOXJKLQQ-UHFFFAOYSA-N 435.889 2.269 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 758170803 QZRDOQYSZXVMQU-IBGZPJMESA-N 437.562 2.346 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 767955466 XZAIDIWDNNQUQT-UHFFFAOYSA-N 425.466 2.052 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cc(-c2cnn(C)c2)no1 769069457 LBWLMRYCCHDERK-QHCPKHFHSA-N 447.451 2.283 30 10 IEEE Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771535935 AETYUZRMPXCNDP-HNNXBMFYSA-N 447.952 2.015 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@H]1CCCO1 772899802 ZDECCCMCMGAKFE-GOSISDBHSA-N 433.533 2.365 30 10 IEEE C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCCN/C(O)=C1\N=CC=CC1=O 772982331 ICBFSPSAOYUNTR-HNAMICAMSA-N 426.395 2.418 30 10 IEEE CSc1nc(O)c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1C#N 777849525 WILJPLZLSCFYJT-XQNSMLJCSA-N 445.526 2.446 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=C3CC(OCc4ccccc4)C3)nc2)CC1 782151540 GNIDCTOCZHAMHL-UHFFFAOYSA-N 429.546 2.165 30 10 IEEE COC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2cc(-n3ccnc3)cs2)NC(=S)N1 783939478 LWBDWKICUZBIKY-HNNXBMFYSA-N 425.495 2.158 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2ncccc2S(C)(=O)=O)ccc1OC 787222750 SXKGHSOWXVJDKF-HNNXBMFYSA-N 432.502 2.174 30 10 IEEE Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NS(=O)(=O)Cc1ccccc1C#N 796724779 UPRRPKKHKSSTLD-UHFFFAOYSA-N 448.508 2.345 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC(=O)N2C(C)(C)C)cn1 796843988 CDEFDUVHUNEYKL-WMZOPIPTSA-N 449.577 2.028 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800784640 PPASQWCYYBJDQK-GOSISDBHSA-N 425.924 2.224 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCO2)cc1 802690377 ZYUDTKXPNGFTSW-WIYYLYMNSA-N 438.532 2.221 30 10 IEEE C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 803849228 YJXQFFOSDFGVTQ-NSHDSACASA-N 436.877 2.041 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 806383239 GVRMTABKMMFPHM-RBUKOAKNSA-N 444.532 2.242 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1C 1084483351 QNHNLBDHSWDKIB-UHFFFAOYSA-N 427.490 2.197 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1136064006 AVKBCGVDVLWTSX-FQEVSTJZSA-N 439.537 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCCc3nc(O)c(C(N)=O)cc32)CC1 1136167627 VURSRMRBPARASP-QGZVFWFLSA-N 442.516 2.030 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC)c2ccccc2OCC(=O)NC)c1 1136309054 JGJJFFLLKJNTPZ-HXUWFJFHSA-N 442.537 2.490 30 10 IEEE C#CCN(CC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C(=O)OC(C)(C)C 1147867963 ZWAWWTXPKWIKIS-MRXNPFEDSA-N 437.537 2.141 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H](O)[C@H](C)O)nnc1-c1ccc(Cl)cc1Cl 1149551460 OGMQLBSJRARGHO-HZMBPMFUSA-N 431.345 2.388 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCC[C@@H](O)C3)cc2C1=O 1154456812 UZGHKEWQVOTFAO-MRXNPFEDSA-N 433.464 2.318 30 10 IEEE C=CC[C@@]1(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1158504232 XPMQKTPEVSKXIT-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE C#C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)c1ccc(F)cc1 1190595631 RDWQUFCCEPPGQO-ACRUOGEOSA-N 446.500 2.455 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)N1c2ccccc2C[C@H]1C 1228456154 BDMJXWVWMWXBFA-CYGHRXIMSA-N 441.532 2.411 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N2CCOCC2)CCSC1 1286287485 FSJOBVIIRBONBQ-FDDCHVKYSA-N 436.585 2.483 30 10 IEEE C#CCN(c1nnc(C)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1286385925 RFWHGFZRIRKGIA-ZDUSSCGKSA-N 428.436 2.002 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286406659 CHKHHFSCRBPKDE-UHFFFAOYSA-N 441.539 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCn2ccnc21 1286416429 RWQAFJNCPGPTHN-KRWDZBQOSA-N 433.541 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSc2ccccc21 1286419640 BQKVPBLOSUGCQL-DLBZAZTESA-N 443.598 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(-n2cncn2)c1 1286422049 ISLRHCPSXFONLN-XMMPIXPASA-N 445.527 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1286425077 CBJTVNPAYGHBEW-QHCPKHFHSA-N 442.567 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC2(C)C)CC1 1286488067 KSIFBVXCTWXNLB-YADARESESA-N 443.592 2.331 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(N)=O)CC1 1286500078 RCQULJJGWCBYAM-UHFFFAOYSA-N 427.530 2.132 30 10 IEEE C=CCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@@]1(OC(C)C)CCOC1 1286778174 SYNPUAHYLOPJBM-HSZRJFAPSA-N 439.516 2.237 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291496791 OQRZFWBNKPQTBT-CJMKZDRPSA-N 428.537 2.181 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC(C)C 1293241748 FQNVAJZGIKWEEV-IBGZPJMESA-N 426.521 2.259 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CCO1 1293539827 AVWLMKYEAAKOIA-GOSISDBHSA-N 429.546 2.399 30 10 IEEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)OC 1293962904 ICDBCFDQIXAAHR-MOPGFXCFSA-N 446.577 2.150 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)CC1 1297537930 SDSNRXMNVCEGMB-INIZCTEOSA-N 433.471 2.016 30 10 IEEE C#C[C@H](CO)NC(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1298586249 RQFBPROGECYCGO-ZWKOTPCHSA-N 430.526 2.006 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300347988 HHBOYMSIQJSCEM-UHFFFAOYSA-N 426.546 2.092 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300367543 FHVFGDXJQOPLDX-GOSISDBHSA-N 431.587 2.064 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1300761691 DPWQYPMMMKMDPL-INIZCTEOSA-N 447.634 2.279 30 10 IEEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1300778370 UDDLKRJIJUDLHD-UHFFFAOYSA-N 445.574 2.039 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301248695 JVFXZKXNDUBVIF-IBGZPJMESA-N 437.552 2.453 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1)C1CC1 1301313766 HFKHFVFOJWLFAL-AWEZNQCLSA-N 429.550 2.162 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301481638 NMJKEEGOKDFMCV-VREBPVJHSA-N 443.523 2.457 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1301507081 WAWIVVVOXFPGQB-UHFFFAOYSA-N 449.534 2.027 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1302013156 BKJQXCWITXYNAR-RBUKOAKNSA-N 449.559 2.226 30 10 IEEE Cc1nc(C)c(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)s1 1304643332 BSTQSZPSPCOCJA-CQSZACIVSA-N 443.558 2.120 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1316289316 APYOZRGBFOHVSO-YDHSSHFGSA-N 438.532 2.279 30 10 IEEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC2CC(C#N)(c4ccccc4)C2)CC3)CC1 1321811924 YANJOTXCZNPKKZ-PEJQNEDZSA-N 432.572 2.047 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCOC2)C1 1340088385 IHWUBZDHJZXQRV-IRXDYDNUSA-N 446.577 2.056 30 10 IEEE Cc1nn(-c2cccnc2)nc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1355668005 BHYKRGDXVDDWLN-BWAHOGKJSA-N 439.501 2.036 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1358919110 RSNPXCGQWPLMMM-UHFFFAOYSA-N 440.523 2.321 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358933225 MGWRIIRJAUJDIM-UHFFFAOYSA-N 447.543 2.072 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358955212 HHWWPEHIZFNBCU-VAMGGRTRSA-N 435.638 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1358984605 BSZAHRYVENKXME-KRWDZBQOSA-N 449.490 2.231 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCOC(F)(F)F 1359023870 ZFXPDHYVFXWDND-UHFFFAOYSA-N 429.399 2.018 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCc2nnc(C)s2)CC1 1359036827 KHCUOIUDHNGBAO-UHFFFAOYSA-N 425.537 2.166 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)OC)CC1 1359134760 GSGQSEPXGSVIER-UHFFFAOYSA-N 438.532 2.499 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359294647 AFRGXQJZYPBUJV-UHFFFAOYSA-N 439.520 2.076 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1359298185 QEYBLURWRTYNPF-KRWDZBQOSA-N 439.564 2.021 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359300716 IVSYXYNGBZTFLG-UHFFFAOYSA-N 430.597 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2c(F)cc(F)cc2C1 1359332939 KOGXITWMEYDCNX-AWEZNQCLSA-N 438.500 2.224 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1359336427 PRBUTIKGXAMPAX-UHFFFAOYSA-N 430.578 2.368 30 10 IEEE COC(=O)[C@@H]1Cc2ccccc2N(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1439662502 SDXWSIQQZJFDDH-IEBWSBKVSA-N 446.463 2.142 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1Br 1449727842 CPYBWJYOUVOOPM-AWEZNQCLSA-N 430.249 2.462 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1455195380 YCTIWFDVNIFGSS-QGZVFWFLSA-N 431.537 2.231 30 10 IEEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1461445244 SWRKEVMRANIXCU-NPMXOYFQSA-N 449.515 2.273 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)C(=O)OC 1467514927 CCZOYSGWCZNADA-FUHIMQAGSA-N 432.517 2.329 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1468372719 IQOQZJAUUCXBKY-SFHVURJKSA-N 449.916 2.441 30 10 IEEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC(=O)NCC34COC4)c2C#N)C1 1473772943 FVQHCNNNRGZPFS-CQSZACIVSA-N 430.574 2.300 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)c1 1492543877 AILCPPQDIVROIR-LJQANCHMSA-N 441.513 2.302 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1507539053 QRXDNRPMULLUAR-TZMCWYRMSA-N 426.464 2.298 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1507570027 LOUOYBDKWMWJLG-KRWDZBQOSA-N 441.536 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCC(=O)N(C)C 1507661802 IWPNYKBAOHKCSA-UHFFFAOYSA-N 445.365 2.377 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507672494 DOZQTIUQMPTRCQ-FQEVSTJZSA-N 440.569 2.453 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507712391 XJORZRWYPWQOIB-PMACEKPBSA-N 440.592 2.238 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)CC1 1507724515 RGTZHRQAZZMPGN-UHFFFAOYSA-N 434.009 2.393 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1507999008 KKEIAOBJLVYKGH-WOJBJXKFSA-N 441.557 2.281 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1508032329 DMCWMOGMOAHNPT-MSOLQXFVSA-N 434.562 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1508133941 PWISDMWPXMNKKD-OAHLLOKOSA-N 438.937 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCSC1 1508143164 FAUBUPAACCWJNO-KRWDZBQOSA-N 436.603 2.420 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnnn2C)c1 1510710436 CHJHFRXHIAFLGL-GOSISDBHSA-N 436.520 2.195 30 10 IEEE CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1514156958 MXRJJJZVFDVAHR-AXHJYSETSA-N 428.537 2.466 30 10 IEEE CCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1514839390 NCWZMMXHKNZZQY-VGSWGCGISA-N 440.552 2.105 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccccc3F)CC2=O)cc1Cl 1517027217 UKOAAGPNLGFWAV-AWEZNQCLSA-N 428.851 2.250 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1517694254 ZNDQEFUDHHTXCW-MRXNPFEDSA-N 445.911 2.201 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2ccc(Br)cc2-n2cnnn2)c1OC 1521591141 YTXVDBBVAZXBEY-AWEZNQCLSA-N 443.261 2.437 30 10 IEEE COc1cccc(C(=O)NCCNC(=O)COc2cccc(Br)c2C#N)c1 1529007582 XPNPRZFDNCGGNO-UHFFFAOYSA-N 432.274 2.254 30 10 IEEE Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)ncc1C#N 1530656807 NHEOTPFQYVXOEE-LJQANCHMSA-N 442.273 2.430 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 1531856682 VNUREUOZZHIMLO-PMERELPUSA-N 444.435 2.450 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)Br 1539400244 ATAAQHYZCHZDBV-HNNXBMFYSA-N 437.285 2.004 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539514250 XGOHDQMGBOVDOU-GOSISDBHSA-N 428.606 2.340 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1539539682 XACKEGKSODBDSA-VBKZILBWSA-N 437.516 2.401 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)CC 1539563638 ORSAOVFBBKIDHH-JOCHJYFZSA-N 440.573 2.213 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1 1540865889 VQHSDCMEHMUVGT-LLVKDONJSA-N 426.340 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540900635 BWWWBEGCLZWEIV-OAHLLOKOSA-N 448.442 2.453 30 10 IEEE CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2C1 1542978581 SSDKMSVXQUXVNB-ZZEZOPTASA-N 426.473 2.194 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCOC[C@@H]1CCOC1 1543309524 WBNPEURTRLZIGK-SFHVURJKSA-N 428.512 2.367 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1544465045 LPFVCOKKUAHWHF-IBGZPJMESA-N 428.537 2.265 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)C[C@H](C)S1 1545061433 SYHZHFAAAOHJDW-IRXDYDNUSA-N 431.562 2.458 30 10 IEEE CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1545770164 XUAWVZZQDGKKBG-UHFFFAOYSA-N 441.536 2.156 30 10 IEEE COCCC(=O)N1CCC2(CC1)C[C@@H](C(N)=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548380043 MZVIOAMXFHXQKW-KRWDZBQOSA-N 438.450 2.286 30 10 IEEE CO[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1554620258 ZRTBWEINXHQWDH-QWHCGFSZSA-N 425.415 2.489 30 10 IEEE COCCN(C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C#N)CC1 1555524389 FIADCKTVHZPXII-UHFFFAOYSA-N 428.537 2.280 30 10 IEEE COCCOCCn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555725238 LRPDZBSWDPYHBC-UHFFFAOYSA-N 448.527 2.375 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)CC1 1555791837 GHDNLUJLVLCGSB-UHFFFAOYSA-N 443.573 2.383 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccnc(Oc2ccccc2F)c1)c1cc[nH]n1 1556490590 WQHGEUJFVVMAPH-UHFFFAOYSA-N 441.419 2.336 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCc2cccnc21 1557234155 UEMNIFGBWWDUOM-AEFFLSMTSA-N 426.542 2.381 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)COc2cc(Br)ccc21 1557383814 FALHUXCRHYIFGF-KRWDZBQOSA-N 444.285 2.238 30 10 IEEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1565081661 WVHLRKWYDFNBRC-UHFFFAOYSA-N 446.367 2.058 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1567417023 HBVNOQOXTPLBBT-QGZVFWFLSA-N 431.599 2.414 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c1 1567919966 RNZUBSAVEAQSRY-UHFFFAOYSA-N 426.542 2.431 30 10 IEEE C[C@@]1(C#N)CN(C(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)CCO1 1585425914 APCSYQLISZLLEY-JOCHJYFZSA-N 439.541 2.102 30 10 IEEE C=CCOc1ccccc1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1586231239 BZEXHPHEFSQNRZ-INIZCTEOSA-N 426.535 2.196 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)COc1ccc(I)cc1 1586777289 DZVSQOIFMXJKML-UHFFFAOYSA-N 429.254 2.474 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588064656 MNBXGFKHRXVUDJ-FPOVZHCZSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OCCO2 1588089948 RHVQHYCVRPUMHW-XMMPIXPASA-N 436.512 2.211 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1588263429 VSEPIPDXUNWMTR-SFHVURJKSA-N 443.573 2.432 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588266973 YVZVURCAXAPALL-IRXDYDNUSA-N 449.552 2.298 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1588314338 BJSWVWPSTRHJGW-UHFFFAOYSA-N 434.529 2.054 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1588459416 VSVPXOVGTKHPMX-QRVBRYPASA-N 446.596 2.229 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2nncn2C)CCOC1 1610346696 DNNQQHKMQFCOHC-JOCHJYFZSA-N 436.520 2.004 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)Cn2ncc(Br)c2C)c(=O)c1C#N 1611231246 NENRQCRMUQDQHV-UHFFFAOYSA-N 443.099 2.137 30 10 IEEE COc1ccc(-c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n(CCO)n2)cc1 1611392410 ACCRGJDBDJQLSX-GOSISDBHSA-N 445.479 2.414 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1617243954 KNLXTEMAJBZSNN-IBGZPJMESA-N 439.520 2.285 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C#N)CO)CCC(=O)N2c2ccc(C)cc2)cc1OC 1627544484 XYVJBIJBPHOQQX-LYHRCORUSA-N 437.496 2.497 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704055 CALGBWSNDVKZCX-YKSBVNFPSA-N 442.560 2.399 30 10 IEEE N#Cc1cccc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1Br 1633359992 JORQGXILDVNKHX-UHFFFAOYSA-N 426.317 2.228 30 10 IEEE C=CCOC[C@H](NC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1634064263 ZWYKUGBCILNWGU-ZDUSSCGKSA-N 438.443 2.426 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 1636967079 UIDSFHXNIAQLOZ-UHFFFAOYSA-N 431.489 2.427 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)[C@@H](OC)C3CC3)nnc12 1638696077 XSTOXURTCZSVIP-SCLBCKFNSA-N 427.530 2.252 30 10 IEEE CCn1c(=O)nc(O)c2c(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc(C3CC3)nc21 1639963377 XNEHRRGJQNCJMX-GOSISDBHSA-N 433.468 2.072 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ccc(F)cn2)CC1 1641546226 IOGHCDOCFZDUKL-UHFFFAOYSA-N 430.505 2.446 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nccc(Br)c2O)ccc1F 1642793878 SVNCJIXWVFIVKE-UHFFFAOYSA-N 430.255 2.405 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 1643976527 TYVIDONUQHIYQT-OAHLLOKOSA-N 426.498 2.439 30 10 IEEE N#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(F)(F)F 1645009948 LAARLNJGKVXBGA-BXUZGUMPSA-N 439.843 2.372 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)C1 1645275037 ZJPDTTJVNHROQX-KRWDZBQOSA-N 443.525 2.029 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1 1647854057 PZANMUBODBTGEM-NJAFHUGGSA-N 435.546 2.421 30 10 IEEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]2CCCN(CC#N)C2)c1 1648595717 XLGXHJOUFLWCGN-ICSRJNTNSA-N 430.549 2.483 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1649541097 CWXZEEXYKUIEEA-HNNXBMFYSA-N 435.550 2.233 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1655044548 GWIFLFGIAQJDFL-UNMCSNQZSA-N 447.601 2.447 30 10 IEEE COCc1ccc([C@H]2COCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1 1655655393 MCDDHUSSWOZSDY-RTBURBONSA-N 444.557 2.270 30 10 IEEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1667520622 GDLDVKQNQFZKLZ-NRFANRHFSA-N 432.528 2.388 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CNS(=O)(=O)CC1(CC#N)CC1)C2 1671268154 HYPKUUYCOQROSH-INIZCTEOSA-N 427.567 2.406 30 10 IEEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1683692050 VSMRZKFJAIIXAS-UHFFFAOYSA-N 442.563 2.228 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1689916698 SEPXNEDXUFNMFV-UHFFFAOYSA-N 431.562 2.275 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OC1CCCC1 1690045988 UZPZXHNNOSYXBS-HXUWFJFHSA-N 432.528 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccn(CC)c1=O 1690050792 ARCLKZOPKCVYJI-UHFFFAOYSA-N 439.523 2.209 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCOC1 1690094051 QYTIXCFLRYWAKM-IIBYNOLFSA-N 434.924 2.309 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CC[C@H](CO)O1 1690101302 WLFJJFBOWTVICJ-RBUKOAKNSA-N 437.500 2.226 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1690122361 OSFDZWSXWHCNOD-RBUKOAKNSA-N 442.951 2.026 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690254268 ZCKFINWGWSTLFI-RBDMOPTHSA-N 430.553 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](COC)C1 1690724233 KRNUQUIZJKDHBE-MSOLQXFVSA-N 426.583 2.373 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CCO1 1690955972 IBAOOUALIKBVNU-WOJBJXKFSA-N 440.573 2.444 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1692467437 GUOGHNIAKFDRNN-HXUWFJFHSA-N 436.564 2.197 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1693398107 BQWZCJFKBVEJLZ-UHFFFAOYSA-N 445.531 2.497 30 10 IEEE CCOCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1Cc1ccc(C#N)o1 1696291125 GGSZTSUBNFMKGR-UHFFFAOYSA-N 439.476 2.023 30 10 IEEE COCCCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1698003933 IHSSRYKKDFOVGW-IBGZPJMESA-N 446.559 2.477 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1698302032 BRGSSQRGIJLCNZ-RXVVDRJESA-N 447.536 2.207 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1705478521 CUSUNPFVVLKDTM-AOMKIAJQSA-N 426.521 2.316 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OC)c1OC 1705573073 YFAMKYNKGCYPCH-UHFFFAOYSA-N 430.468 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1705595600 YHBWRLMVZKZNGO-UHFFFAOYSA-N 426.484 2.042 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C 1705672101 KYKTUFLTISBMBE-HRAATJIYSA-N 429.594 2.180 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705746077 QDWPPDMNOMVBPO-BZSNNMDCSA-N 427.977 2.302 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705945840 SXTFPCBKLBDOGK-KRWDZBQOSA-N 443.573 2.369 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1709404822 ZTLNGVHZXHLUKC-PLNGDYQASA-N 444.561 2.167 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)c(OC)c1 1711749523 WTBBGVRDVNWIIB-ZWKOTPCHSA-N 427.505 2.242 30 10 IEEE N#CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)F)CC1 1712882687 FQZUGQUXABVVCI-UHFFFAOYSA-N 427.459 2.402 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1722405081 JRUUKRMTNNIFTC-UHFFFAOYSA-N 438.351 2.087 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)NCC)CCC1 1722406404 XZRGQPGDZGWXAW-UHFFFAOYSA-N 443.573 2.115 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CN(CC)CC)c2)CC1 1722436733 DJFPTEASKVUQAM-HSZRJFAPSA-N 436.604 2.427 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1722437891 LEEXAJCHUDGFDA-QHCPKHFHSA-N 444.587 2.356 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722530000 KEQRFIVGSYGFES-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1722676440 AJUDZURDNDIABA-IBGZPJMESA-N 436.516 2.113 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722696295 IDJCSQOJKAZKPK-UHFFFAOYSA-N 426.521 2.162 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722701007 CELMSOXLWODJRC-LAUBAEHRSA-N 439.560 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)COCCO2)C1 1722714341 KKNGSDUMZJSOMF-NQIIRXRSSA-N 429.477 2.440 30 10 IEEE C[C@H](CN(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)c1nccs1 1723807487 MSFUMGFZDSYVNL-DOXHGZAWSA-N 427.534 2.378 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728366247 JJEATPZQQMDCCF-HNNXBMFYSA-N 433.520 2.000 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1728645113 DOMCVIRNPADPML-QGZVFWFLSA-N 433.516 2.384 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730490431 MCVGCRLDXSZCRO-QGZVFWFLSA-N 438.463 2.473 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(-n2cncn2)nc1 1740538618 IYISSKDCKPBGCB-HNNXBMFYSA-N 429.444 2.335 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1740567697 NRRTWCIWYQLVPL-UHFFFAOYSA-N 449.353 2.310 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740595010 IJVQGGKCHPHQLD-UHFFFAOYSA-N 445.589 2.359 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740627805 KQSHWZDPDGKWNC-WSTZPKSXSA-N 444.557 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740655234 BZZHEMRFUBOMML-QZTJIDSGSA-N 439.482 2.246 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCc2nccn2C1 1740680706 LXWLLXXVAKQQEE-KRWDZBQOSA-N 435.488 2.398 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1740704225 MCNMQKMLFMMAJV-NRFANRHFSA-N 430.512 2.128 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740710558 ZFTBWBASEFCXLF-OAQYLSRUSA-N 431.537 2.020 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740751998 RBNNKSSEEQTJFN-ULQDDVLXSA-N 430.553 2.293 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ncnn1CC(F)F 1740756405 HLRXDDVNSNUWKN-KBXCAEBGSA-N 445.478 2.209 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740760702 KOROPMIYFLSXND-FHWLQOOXSA-N 437.610 2.435 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740791311 BGHSESSQAWJOJJ-GOSISDBHSA-N 435.532 2.390 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740849021 WTUXUWCHROFGEP-OWCLPIDISA-N 446.639 2.040 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1740957662 WTECBERBUZPJAB-UHFFFAOYSA-N 437.523 2.427 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740962952 UOVDEVQYNRXLKP-INIZCTEOSA-N 441.561 2.383 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1743380848 PWNOIJMXLUKHKF-BFUOFWGJSA-N 449.353 2.326 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOc1ccccc1 1747193679 HFHYFBDMTHTPRY-GOSISDBHSA-N 448.531 2.270 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748810252 VABFRBMDXWZDOZ-FPOVZHCZSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CCC1 1748868566 ZQTMCUAVEHPEAY-CHJDUVSTSA-N 432.590 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cccc1N1CCCC1 1748888108 NZNHSDOISWIPFS-FQEVSTJZSA-N 434.519 2.480 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCOC[C@H]1C 1748945314 QIUKHLVHZYRMNY-UYAOXDASSA-N 427.524 2.282 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(Cl)c1 1748963092 YDAWMOSJCROWBG-OAHLLOKOSA-N 440.928 2.107 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1748994606 KXTBOENQNBFUHV-HSZRJFAPSA-N 436.604 2.167 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1749032894 TXXSZQRBMULHGW-MRXNPFEDSA-N 438.557 2.266 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749371077 XUPYFNWHESVJGK-GOSISDBHSA-N 449.563 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 1749669117 BYZKJZMHBUHSKD-CYBMUJFWSA-N 438.326 2.466 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1749671493 CJNQSHSRNINKMU-UHFFFAOYSA-N 440.592 2.418 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1749838804 FUHMDWRYXVVMPJ-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c(-c3ccc[nH]3)nnc2N2CC[C@](F)(C#N)C2)cc1 1750191238 DPIMMBCZHYDVHP-FQEVSTJZSA-N 444.492 2.198 30 10 IEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCCN1CCC[C@H]1CO 1751934232 NNHYZNWQXQMPIV-QHCPKHFHSA-N 437.592 2.017 30 10 IEEE C#CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760151106 XVLFJMMBSXYSJX-HXUWFJFHSA-N 445.589 2.235 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(=O)NCC)CCC1 1760179687 WLPHFXJMOTWTOT-CALCHBBNSA-N 444.580 2.425 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1760234045 SBOULQFQMUOSKP-QGZVFWFLSA-N 433.553 2.305 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCC(C)CC2)CC1 1760262108 ZXUIQPBMOTYYGA-QFIPXVFZSA-N 438.624 2.015 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1760405902 LIFQIOCJCLDRHU-SFHVURJKSA-N 442.495 2.387 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1760478792 RNJNAWRGKGJETA-MJGOQNOKSA-N 447.605 2.332 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1760519839 RGHRLKDQWVKWNO-SFHVURJKSA-N 447.543 2.291 30 10 IEEE Cc1ccccc1[C@H]1C[C@H](n2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1762144145 ALVLDPGZQCEXJA-TVFCKZIOSA-N 444.561 2.044 30 10 IEEE CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1764264907 RWWDSSVFHZEHLT-FQEVSTJZSA-N 432.532 2.282 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1767360317 OFHSATCNHNLWEL-IEBWSBKVSA-N 431.562 2.239 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1769434178 BUBMNAIHKVUMAD-JPYJTQIMSA-N 438.532 2.070 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1770504293 BPUUXWIJEUKURT-HTAPYJJXSA-N 442.495 2.222 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1cc(C(=O)ON2C(=O)c3ccccc3C2=O)nn1 1772790099 ZXHYUVNDDPCUKW-CYBMUJFWSA-N 441.444 2.046 30 10 IEEE Cc1ccc2c(c1)N(C(=O)Cc1ccc(C#N)cc1)N=C(C(=O)N1CCCC1)S2(=O)=O 1851085710 BYFATMOCNZUDJI-UHFFFAOYSA-N 436.493 2.166 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)C2CN(C(=O)COc3ccccc3F)C2)cc1 1851404334 PKBGPICTRVKXMA-UHFFFAOYSA-N 449.442 2.368 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)C1 1854479212 XWCUZOIMIKKHDM-AWEZNQCLSA-N 445.994 2.049 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(Cc3nnc(C(F)(F)F)o3)CC2=O)c1 1855388204 FNHOJBSIWOTMLD-UHFFFAOYSA-N 427.770 2.292 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CCN1S(=O)(=O)CC#N 1856025913 RSTSMMHSTPOWMY-UHFFFAOYSA-N 429.473 2.409 30 10 IEEE Cc1cccc(Oc2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)[C@H]3C)cc2)c1 1856283158 RFHKAAAZGPLXFB-MRXNPFEDSA-N 427.482 2.449 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C)nn2CCC 1864319593 YHHZIKHFALKWCZ-IFXJQAMLSA-N 426.517 2.358 30 10 IEEE C=CCNC(=O)c1cc2c(N3CCN(C(=O)OCC)CC3)ncnc2n1Cc1ccco1 1873597820 MYNMWMHUAZTYMA-UHFFFAOYSA-N 438.488 2.267 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1890056035 TYKMORCYGWPDRF-QGZVFWFLSA-N 431.452 2.418 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900466072 AMUZJLHDIUHMDW-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1984913486 QNGNRZXHOBHTDX-OWCLPIDISA-N 427.542 2.190 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1993278733 WFDKBONJSXRGRO-CVEARBPZSA-N 427.542 2.192 30 10 IEEE N#Cc1cncc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c1 2174785058 UTCFNXXXMLYRAI-NSISKUIASA-N 426.498 2.421 30 10 IEEE Cc1cnc(N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224139313 JYWUJTFHPOCMEZ-JKSUJKDBSA-N 433.358 2.154 30 10 IEEE Cc1c(C(=O)N2CC[C@H](OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255629937 CONZLFXMSBBKHZ-SFHVURJKSA-N 425.338 2.459 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255870038 HUXISLPSFPZHQS-UHFFFAOYSA-N 431.342 2.414 30 10 IEEE CCN(CCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255879711 SYBPDVDJTVAPGG-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256618942 UAJGOENARPLYAC-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2259920260 ICVDJOMTVYAGKH-YEJXKQKISA-N 449.382 2.429 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267147175 SGQYHWKDTDZNDG-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267176058 UVUSJRHHYNCDKH-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267194857 SPSXBALWDBOGCE-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2267227545 BUGZEEGSBUAHTO-QZTJIDSGSA-N 446.353 2.004 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2267496328 XQQVFJISBFFRDY-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCCN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267504167 ONUIGQDZRWHLKS-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cn1cc(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516682 HOFPSZPBDVMJLV-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2282173753 LRIHUXRTXVQXPO-WOJBJXKFSA-N 448.376 2.370 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCC3(CC2)OCCO3)OC1(C)C 2282866678 NHZQZQXUWNVHSQ-CQSZACIVSA-N 443.396 2.401 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c(O)c1 2326823550 XYCOHZKJLKAXNE-UHFFFAOYSA-N 443.485 2.127 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2327379752 GTAJWRZKEIRCGJ-CQSZACIVSA-N 434.346 2.227 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc(OC)c1O 2331273627 VJZGOFVRCZNNRP-UHFFFAOYSA-N 445.501 2.065 30 10 IEEE NN[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1cc(Br)ccc1I 2341629072 NQJQFPBHUFPTLM-ZKCLLBTKSA-N 433.087 2.454 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 15576854 BVCNDHWCXVQTQX-UHFFFAOYSA-N 438.553 2.308 30 10 IEEE Cn1c(=O)c2c(nc(N/N=C\C=C\c3ccc([N+](=O)[O-])o3)n2Cc2ccccc2)n(C)c1=O 15922393 AEQJBSUYTZUXOQ-YEJNLHJGSA-N 449.427 2.094 30 10 IEEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1 21326242 USOARIRBCOJZNL-SRZZPIQSSA-N 432.535 2.332 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2ccc(F)cc2)n[nH]1 59888335 QDLUBBZIKVBGPI-SRZZPIQSSA-N 446.512 2.316 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1=O 101350948 PVERZOHIVFQJHZ-UHFFFAOYSA-N 441.513 2.352 30 10 IEEE CCOCCCn1/c(=N\C(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 102920182 QVYDLCRQAUPQHN-HFTWOUSFSA-N 442.479 2.392 30 10 IEEE CS(=O)(=O)O[C@@H]1C[C@H](C(=O)OCc2ccccc2)N(C(=O)OCc2ccccc2)C1 214817982 HWCRFKZHASHODZ-RTBURBONSA-N 433.482 2.486 30 10 IEEE C#CCn1c(=NC(=O)CCS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCO3 254826653 GLQMDDXXYSNXSC-UHFFFAOYSA-N 442.518 2.497 30 10 IEEE CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H](OS(C)(=O)=O)[C@H](O)CO 256078334 DIGKQJJVWFSJQE-YRPNKDGESA-N 426.616 2.497 30 10 IEEE O=C(Cc1ccc(F)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 263625887 OHRGGHIRDVXVKE-QAPCUYQASA-N 448.497 2.399 30 10 IEEE CCOC(=O)c1cnc(N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)s1 435030396 RCAVZHJZWPFSTN-AWEZNQCLSA-N 431.543 2.180 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2)n(C)n1 446932239 USHIBSZRBSMVKK-SFHVURJKSA-N 425.512 2.240 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)c1C#N 461197685 PKGYOSMAPMXCGH-CQSZACIVSA-N 431.468 2.303 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)cn1 461748897 WJTUSHPSMFSYPU-UHFFFAOYSA-N 442.414 2.250 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 471153239 YWNOQHPQXQLPTH-DEOSSOPVSA-N 445.567 2.290 30 10 IEEE COc1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Br 474063951 GRNUKTFXFJCCMT-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 479294051 XYADWDZWXOZSQG-UHFFFAOYSA-N 430.530 2.127 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C#N)s2)c1=O 482550443 FSQPEPUXRUFBEA-UHFFFAOYSA-N 433.514 2.424 30 10 IEEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C[C@@H](C)O1 522523598 BSGOIDDAAKRAOA-KDURUIRLSA-N 447.539 2.459 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cc2C1=O 522897193 AAUJYBYADUQPOR-IBGZPJMESA-N 446.488 2.494 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)nc1 535079418 VSWYBMISBZBCSH-UHFFFAOYSA-N 449.511 2.235 30 10 IEEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541140740 KLCTXWZJQAIEFV-AWEZNQCLSA-N 441.966 2.397 30 10 IEEE COCCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCS(=O)(=O)C1 543887742 FRBVUTQVEUBTCO-HNNXBMFYSA-N 437.909 2.065 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)s1 604001453 GAPITXDCPODROU-UHFFFAOYSA-N 448.573 2.416 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 609496881 NNJBCPICPMONOE-UHFFFAOYSA-N 434.861 2.267 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 609788929 OWAGQNVMTRDNRW-KRWDZBQOSA-N 427.526 2.436 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCO1 619853446 WQWMIAHCIIRFCR-MGPUTAFESA-N 447.540 2.168 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)cs1 679755168 MSVAYDZYSCDWOC-MRXNPFEDSA-N 443.594 2.370 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)CC1 728531136 CYRDATIVRPHKHV-UHFFFAOYSA-N 430.508 2.254 30 10 IEEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730715922 RSISNUVKWMLUSP-SFHVURJKSA-N 429.546 2.491 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 739153277 AETKCPINOSWWLJ-INIZCTEOSA-N 447.495 2.027 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 741642997 IPTUUVSAZYUSTP-UHFFFAOYSA-N 432.473 2.419 30 10 IEEE CCOc1cccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccoc3)c2=O)c1 743733679 OUPMSFYJXANDNW-UHFFFAOYSA-N 449.532 2.453 30 10 IEEE N#Cc1ccsc1N1CC[C@H](OC(=O)CCC(=O)N2CCOc3ccccc32)C1=O 751661543 AAQSSYZFXLSDSO-KRWDZBQOSA-N 425.466 2.474 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 752613672 IPJZOYUVVQNUDV-LIRRHRJNSA-N 430.482 2.370 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1C 760375522 JRQQGNZXIXLFIV-UHFFFAOYSA-N 425.897 2.198 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)ccc1F 760740433 BRHUZDVJIPYWRH-KRWDZBQOSA-N 437.537 2.201 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c(C)c1 766419774 NGGQGGOOXKARCQ-IBGZPJMESA-N 440.573 2.293 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2scnc2C2CC2)c1=O 782700933 OOELDIYCGHSWKQ-UHFFFAOYSA-N 429.567 2.152 30 10 IEEE C=CC[C@]1(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCCN1C(=O)OC(C)(C)C 790663312 ZMDJALWUNMGXLG-JOCHJYFZSA-N 447.536 2.026 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)n(-c2ccccc2)c1C 790686321 SVGKBCZFZRCBJX-DEOSSOPVSA-N 448.479 2.060 30 10 IEEE C=CC[C@]1(C(=O)NS(=O)(=O)c2ncn(C)c2Cl)CCCN1C(=O)OC(C)(C)C 791789719 TVYYTAUGTZFLRP-QGZVFWFLSA-N 432.930 2.224 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OCC)cc1 792747169 IHOJIITUBYVFIK-PKOBYXMFSA-N 430.574 2.497 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)c2ccnc(C#N)c2)C(F)(F)F)CC1 801086389 KGDDSVPYKCLOOV-HNNXBMFYSA-N 427.427 2.167 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(F)cc1 812934843 QJSBWVZGEAQUIH-FQEVSTJZSA-N 431.489 2.225 30 10 IEEE Cc1ccccc1C(=O)NCC(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 855105583 VBJJMETXKQYKTJ-UHFFFAOYSA-N 432.398 2.455 30 10 IEEE Cc1cnc2c(S(=O)(=O)NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cccc2c1 1115910599 PIXFLRVAHMVTQS-KRWDZBQOSA-N 434.477 2.273 30 10 IEEE C#CCCOc1ccc(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)cc1 1127137237 OLUJKUAEFMDUNT-UHFFFAOYSA-N 429.494 2.107 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(CC(F)F)C1CCS(=O)(=O)CC1 1128627989 QWDOXZSTMANWMT-CQSZACIVSA-N 437.509 2.244 30 10 IEEE C[C@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)OCCc2ccccc21 1133091193 JAABBIBURINSQV-GBXCKJPGSA-N 432.480 2.368 30 10 IEEE N#Cc1cn(CC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c(=O)nc1O 1146566725 HCFCKVKMYHSBET-UHFFFAOYSA-N 445.357 2.343 30 10 IEEE C=C[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1148559544 PIVAFGNCAWGTTB-CYBMUJFWSA-N 431.445 2.157 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)ccc1F 1265430003 MECPUTGBABYSSS-GOSISDBHSA-N 445.516 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1286278482 OCQGRHMOKIDQFL-HOTGVXAUSA-N 447.609 2.067 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286335045 QTJIAKKHNMSWGM-UHFFFAOYSA-N 445.589 2.441 30 10 IEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286395741 MZWBCQAQOOAHRN-QGZVFWFLSA-N 448.614 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC1CCOCC1 1286408800 LSMIVKMQHDNVRP-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286686131 BZAQNNUMGQTXLL-LJQANCHMSA-N 432.569 2.450 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O 1286752939 NPRRQLKTSYNIER-UHFFFAOYSA-N 446.396 2.497 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1292019701 DVJTZARZDNAZGF-QRQCRPRQSA-N 442.520 2.094 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1292132379 ARTOALPNDKQBNG-QUCCMNQESA-N 445.612 2.293 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCNC(=O)OC(C)(C)C)CCOC1 1296527969 WLMGEYZHKYMGNP-HRAATJIYSA-N 436.557 2.441 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(C(N)=O)CCCC1 1297327764 DZMPVIKBOKBMSL-LJQANCHMSA-N 438.532 2.310 30 10 IEEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1297804656 AMZONXLLNGYETB-SSEXGKCCSA-N 431.562 2.217 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1300272885 OASPBLXPNNWYIZ-CMKODMSKSA-N 444.605 2.011 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1300310075 WPFIBCUNDIDBCA-GXTWGEPZSA-N 427.452 2.100 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)c1ccccc1 1300321952 OPKXLPQIMGTBSV-QGZVFWFLSA-N 426.546 2.072 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC)c1 1300335048 ZCJSSXFEUKXPNU-QGZVFWFLSA-N 429.546 2.037 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300487049 DZDGRMVNDKAMDZ-IERDGZPVSA-N 434.537 2.262 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300755025 ZCKNCYXRVIIHGC-IBGZPJMESA-N 426.590 2.255 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1300914629 GCGHMUUHZOSFJO-LJQANCHMSA-N 433.578 2.370 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1300984605 FYGFHVQPAIPJJO-FUHIMQAGSA-N 429.521 2.251 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300989505 CLJBNZADGFNBKV-FXAWDEMLSA-N 441.532 2.475 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1301252881 SJVPOTLUXDXQEZ-IBGZPJMESA-N 432.569 2.497 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC(=O)N(CCOC)C1 1301270928 QTSHBXIOYJPHDE-KRWDZBQOSA-N 435.532 2.452 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)C1 1301686452 HHLQGZNITPLBSD-WBVHZDCISA-N 443.577 2.124 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1302195118 LQDXWOREBCWYJT-DRKIFQHWSA-N 443.573 2.217 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC(C)(C)C2)CCOC1 1303507474 VDJWAVWAHXKMJW-WMZHIEFXSA-N 446.596 2.169 30 10 IEEE Cn1cc(-c2nc3n(c2NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCCC3)cn1 1304697462 QQRPMAFTCNWBHE-UHFFFAOYSA-N 438.513 2.045 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cc(C3CCOCC3)nn2C)c(=O)c1C#N 1306833677 IYQDNIZJOZOBLH-UHFFFAOYSA-N 434.294 2.111 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNc2nc3ncccc3cc2C#N)C1 1307204708 AXNVJCYXPZHLED-MRXNPFEDSA-N 431.518 2.338 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OC 1309864445 UVFINOWUICOFCU-SNVBAGLBSA-N 432.296 2.207 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCCCC2)CCOC1 1314100050 FULTZJSOHLGVCY-QFIPXVFZSA-N 430.553 2.073 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C2OCCO2)c1 1358870723 RUTNMIAJRLUBFN-MRXNPFEDSA-N 432.484 2.477 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358967068 CUIKIYKHGDTDCE-RBUKOAKNSA-N 444.557 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNc1ncc(Cl)cc1Cl 1358968605 RTVLJFYKGQGQHC-UHFFFAOYSA-N 434.331 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1358976129 RJIGKVFGHVOTKP-GOSISDBHSA-N 435.532 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(CC)c2)CC1 1359045527 KXOILLNWODCQCJ-UHFFFAOYSA-N 449.534 2.239 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359052922 VFIYSNVLFNPYJB-ZDUSSCGKSA-N 427.983 2.229 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1359283498 WBSNTRWYWJZAIG-OAHLLOKOSA-N 429.550 2.266 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCOC(C)(C)C1 1359305363 BFHUKMOFURXLMK-UHFFFAOYSA-N 431.562 2.496 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCCO1 1360312013 FINPZJLXAVKDGG-IBGZPJMESA-N 446.577 2.150 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)C1 1471832813 KBFWANWDABKHRZ-IBGZPJMESA-N 441.553 2.348 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1471894812 FRQGLZCPYCEWFQ-MRXNPFEDSA-N 435.525 2.478 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1492901359 IFRSKZQNAWOFCD-HDICACEKSA-N 441.555 2.423 30 10 IEEE COC1(C(F)(F)Cn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)CCOCC1 1504011856 KSPQUJFHJPONBY-MRXNPFEDSA-N 425.480 2.353 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1505136079 AHARQKPNWOBYTA-SJLPKXTDSA-N 432.525 2.037 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507560159 CPEHTFARMJUXGU-IAGOWNOFSA-N 430.553 2.478 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1507573826 JNBULLQSAKMJAM-HSZRJFAPSA-N 446.596 2.318 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC(C)C 1507607849 BWPHLSOHSHSADP-UHFFFAOYSA-N 425.942 2.004 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1507635782 VJOIPUVGKIJLIE-GOSISDBHSA-N 441.582 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507669722 QKODNUAYBQEDJI-PKTZIBPZSA-N 433.556 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC[C@H](C(F)F)N1CCOCC1 1507672318 ZXOHBODERYTRNA-HXUWFJFHSA-N 442.514 2.083 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1507746767 BMSUKZMVDRCUJY-FUHWJXTLSA-N 440.529 2.277 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)OC)C1 1507754150 URVUOCNOOROZMA-HNNXBMFYSA-N 447.586 2.025 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1507756765 QVGXVEFNIJEPBL-XMSQKQJNSA-N 427.574 2.405 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1507812169 JQZHPZRFAVNDAA-INIZCTEOSA-N 433.578 2.468 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2oncc2C1 1508073053 UZJPVKWKEJOJQP-UHFFFAOYSA-N 435.488 2.000 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508084048 GBKNPFIQKHSBGB-KRWDZBQOSA-N 444.605 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(CC(=O)N(C)C)CC1 1508130675 IRLPUJQUECYIAU-MRXNPFEDSA-N 425.599 2.087 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508391001 ZCRLKWUVNVGSHY-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCS1 1510324555 YJNPUCCFRDXUPL-UHFFFAOYSA-N 434.591 2.088 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1517472759 CGUZGASNAJJTRB-NRFANRHFSA-N 438.923 2.329 30 10 IEEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)ccn1 1520051416 HMTYABYHQVGOJD-UHFFFAOYSA-N 442.570 2.463 30 10 IEEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC[C@@H]2CCCO2)CCO1 1521136117 BWIOEQQEDSRTBE-SFTDATJTSA-N 425.533 2.378 30 10 IEEE COc1ccccc1CCNC(=O)CNC(=O)Cc1ccc(Br)cc1C#N 1525067042 SEBHDFZYTHAINJ-UHFFFAOYSA-N 430.302 2.347 30 10 IEEE Cn1cc(C(=O)Nc2nc(Cl)c(C#N)s2)c(CN2C(=O)c3ccccc3C2=O)n1 1525765321 BBQZUPGEDKQUGW-UHFFFAOYSA-N 426.845 2.450 30 10 IEEE CSc1nc(O)c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1C#N 1538137651 CXPBYSWFVPBIFT-UHFFFAOYSA-N 425.514 2.012 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1539180106 WQZJFSDMWNXCIM-RTBURBONSA-N 446.596 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)CC1CC1 1539253540 VRTCNQLOUMULQO-UHFFFAOYSA-N 433.537 2.391 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1539459328 DMZCTTBYALBINM-FPOVZHCZSA-N 434.544 2.157 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1540890512 GCGSDBJXQYWIIR-VQTJNVASSA-N 446.573 2.156 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540913838 VBTBJAZWAIKZOW-HUUCEWRRSA-N 435.550 2.165 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC[C@]3(CCOC3)O2)CCOC1 1541104967 CSQCWUUYLIZGIH-YHBROIRLSA-N 433.553 2.253 30 10 IEEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1=O 1547199256 VTXQRUFZIPKQGR-QHCPKHFHSA-N 438.532 2.071 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@](C)(O)c2cc(C)oc2C)CCOC1 1547891073 AKSGANKUUHYXLO-BHDDXSALSA-N 447.511 2.490 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCCOC)CCOC1 1547921620 NYEZNXSREGVKHM-REWPJTCUSA-N 441.532 2.416 30 10 IEEE CN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1552723989 CKCGZPCQFBRBBC-OAQYLSRUSA-N 443.939 2.080 30 10 IEEE C[C@H](CC(=O)N1CCO[C@H](c2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1558813327 XWTDFIKEJSQDMY-APWZRJJASA-N 427.526 2.494 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1561222125 GNLOXUYEHKLAKS-UHFFFAOYSA-N 436.553 2.007 30 10 IEEE COc1ccc(Cn2cc(NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cn2)cc1 1562770994 AAOIPTJKVQYYSW-MRXNPFEDSA-N 432.488 2.344 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)nc(O)c2[C@H]1/C=C\c1ccccc1 1565531617 AQWSVHHQRRDSFH-YHLLGKTKSA-N 433.468 2.414 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1565718720 OYUQJXRNXDWKPX-IHPCNDPISA-N 430.549 2.087 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C(=O)C1 1583134879 OKYFAUFDQIOIOU-QGZVFWFLSA-N 440.422 2.357 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1588041160 VNMLRVMDNNCVEU-GOSISDBHSA-N 425.514 2.111 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588044686 ASRPGVIMDHWUNS-SFHVURJKSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588059653 RJYYTWQEMJLDQD-WOJBJXKFSA-N 429.590 2.079 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCCC2)CC1 1588761715 AIRQDBHMHBAABE-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(N(C)C)CCC2)CC1 1588871571 IDDVEIZZTKKYKK-UHFFFAOYSA-N 438.576 2.105 30 10 IEEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C)C1CC1 1595054743 QCWWDZLYWGYJRP-UHFFFAOYSA-N 438.580 2.379 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1595100657 RXDOJUPHXBSPKM-PXNSSMCTSA-N 442.589 2.195 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](F)COC 1595133669 KJPWDZKNOHGUJO-IRXDYDNUSA-N 440.516 2.496 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1595555559 CHIUOZMQWWUNRK-UHFFFAOYSA-N 442.539 2.005 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)C1 1595723040 QFDYDQWGZVPQJZ-QUCCMNQESA-N 446.573 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)C[C@H](C)C1 1595759114 DCSXGPMAAZSIAS-HOTGVXAUSA-N 425.599 2.280 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(O)CC1 1596805926 AANNNDNCQWRPFX-INIZCTEOSA-N 426.521 2.116 30 10 IEEE COC(=O)[C@@H]1CCCN(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)C1=O 1598304392 QIJBCBOXCABYPA-XJKSGUPXSA-N 425.407 2.358 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1608308697 XBYAHVQNXCLJQH-AVRDEDQJSA-N 430.553 2.275 30 10 IEEE Cc1ccccc1Cc1nnc(Nc2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1612299430 JGXXBBCENMJWEU-MRCUWXFGSA-N 432.488 2.181 30 10 IEEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1612968938 UQVFCHSILLARRF-JGWKNBOWSA-N 444.586 2.399 30 10 IEEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC=C(N)N2)c1 1617200644 OKJPWRVDMICNGD-UHFFFAOYSA-N 448.932 2.490 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1617258804 JFTXMTFUQTUCRX-GOSISDBHSA-N 433.534 2.436 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1617594917 HKCGNAMEBBLGSD-UHFFFAOYSA-N 449.481 2.369 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1619983917 SZPKMNMGDBCDIW-MRXNPFEDSA-N 439.582 2.099 30 10 IEEE COC(=O)C[C@@](C)(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccnc1 1623828965 JLHZNTCTDHQXRZ-OAQYLSRUSA-N 429.498 2.367 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1cc[nH]n1 1628337729 AJVWFYABPMKNOD-UHFFFAOYSA-N 447.879 2.125 30 10 IEEE C=C1CN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)C1 1629141142 OHCRPONDDBSJRZ-UHFFFAOYSA-N 429.498 2.247 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@](CC)(C(=O)OC)c2ccccc2)c1 1629770342 PTJSUOCICOJUFR-QFIPXVFZSA-N 430.526 2.402 30 10 IEEE CCOC(=O)Cc1c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)[nH]c2ccccc12 1633055751 JJLYOUXTFDRENR-UHFFFAOYSA-N 434.500 2.150 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 1634109282 YSGAQHHRRUBQDO-OTWHNJEPSA-N 425.489 2.400 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1635187684 OIWQRSKDXWBWFH-SFHVURJKSA-N 433.892 2.004 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H]1CCC[C@@H]1C#N 1635419687 VYVRLDPHOBIYCO-SJLPKXTDSA-N 433.530 2.009 30 10 IEEE N#Cc1csc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)n1 1636259384 MPLLGEYOGQKLNY-UHFFFAOYSA-N 441.332 2.148 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)s1 1636829119 QPZONYXHODOJRG-LBPRGKRZSA-N 426.482 2.323 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1640460019 OCXSQCRVHOUBKQ-KRWDZBQOSA-N 444.550 2.005 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C(=O)OC 1642410699 KSZRIHQXJSWISU-GOSISDBHSA-N 434.901 2.460 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c([N+](=O)[O-])c1 1643213590 GNELTFLYRNDKET-HNNXBMFYSA-N 430.490 2.193 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1[C@H]2CC[C@H]1CC(CCO)C2 1643283660 IUQLKHWPXVKDTG-ROUUACIJSA-N 433.574 2.438 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1645087692 HYLHSUYIUSENPH-LJQANCHMSA-N 442.564 2.345 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 1650951570 JFCZOAMKKFUKGI-UHFFFAOYSA-N 432.567 2.260 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(C(=O)CCc3ccccc3)CC2)c1 1652662370 SDMGGEPMPVFGBD-UHFFFAOYSA-N 432.524 2.483 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2cncs2)C2CCN(C(C)=O)CC2)c1 1654545207 YKZDVUZRQYPTKC-UHFFFAOYSA-N 439.541 2.286 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3CC3(O)CCCCC3)CC2)o1 1660111925 CGLYLHYVOGJACD-IBGZPJMESA-N 429.565 2.443 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)cc1 1664280651 PNAFOJWMZZFHFN-KRWDZBQOSA-N 432.542 2.011 30 10 IEEE N#CCC1(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)CC1 1680715238 HYYNIMJSPZXODB-AWEZNQCLSA-N 438.269 2.168 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C(=O)OC(C)(C)C 1682022227 WFYRWFMLGSHPFR-MNEFBYGVSA-N 441.532 2.356 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)C2=O)cc1 1682228002 XXTYBJLQZPNDLI-RTWAWAEBSA-N 443.511 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CS(C)(=O)=O)c1 1689823892 CCJLWYGYXWXUDT-MRXNPFEDSA-N 445.589 2.247 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1689847860 KCWMFMZVZITXLQ-HNNXBMFYSA-N 445.531 2.045 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(NC(C)=O)cc1 1690003469 OOQOJCFGRJSWAN-DEOSSOPVSA-N 435.528 2.204 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1690320412 STUNPWHVDKLLSJ-UYAOXDASSA-N 449.596 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1scnc1C 1690725675 YHOTYRRZPLEZOG-UHFFFAOYSA-N 432.575 2.266 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1691003433 GYQZTAMDELGPLW-FXAWDEMLSA-N 440.548 2.497 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1691008212 FUTBLECAZRLJOU-AZUAARDMSA-N 444.605 2.473 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1693645325 BUIIOLVXVRHZOY-ZWDAVXSWSA-N 443.573 2.239 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N[C@@H](C)CC 1694552568 FRZKKUATGBZCSU-HKUYNNGSSA-N 440.548 2.453 30 10 IEEE COc1ccc(COCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697466467 YAQRBTFHCBOZCY-NRFANRHFSA-N 434.500 2.218 30 10 IEEE COCCN(C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1698027254 MZWFBIHOYAZHDU-CQSZACIVSA-N 438.374 2.363 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705569930 LJVMJNOVMRIHPC-RTWAWAEBSA-N 444.601 2.361 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccs1 1705626569 BDBNRZRKUJSSDX-UHFFFAOYSA-N 444.586 2.434 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCSCC(F)(F)F 1705626731 HDWVACSTWCIEBQ-UHFFFAOYSA-N 445.467 2.387 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705686728 IZPVOJCPPQDTGA-RHSMWYFYSA-N 435.370 2.349 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 1705780201 JBJPZAHGXIJMRZ-LJQANCHMSA-N 443.573 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1CC 1705895466 HWJOZNZWGDYGTI-INIZCTEOSA-N 445.593 2.228 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[S@@](=O)C(C)(C)C)C1 1705916162 IOTUIEYRFUQBOS-UGAZBFNKSA-N 440.610 2.259 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCS(=O)(=O)c2ccccc2)C1 1705925090 LCTLROGPFSDHHQ-OALUTQOASA-N 446.573 2.427 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C 1705946793 QXMPFVDGGBXMOT-ULQDDVLXSA-N 443.639 2.155 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CCOC)c1 1708664137 GSFVGSFBDAOFFP-LEWJYISDSA-N 435.532 2.440 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1711287316 DTJRIFYEWJVMQA-HNNXBMFYSA-N 434.447 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CCC1 1722295750 LONMBDSZTVSTGZ-MYGHRHJXSA-N 441.605 2.211 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1722347703 MODBLGUDTJCEIL-IBGZPJMESA-N 427.549 2.389 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722365883 OCPYUDCNRZTZAM-XLIONFOSSA-N 430.574 2.087 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCS1(=O)=O 1722401249 QISAYQZRBWIRLA-OAQYLSRUSA-N 440.569 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc(COC(C)(C)C)on1 1722425365 WEGUBEFVGBKCND-UHFFFAOYSA-N 425.493 2.173 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2noc(CC)n2)CC1 1722438800 CIRIHEDXDORKEJ-UHFFFAOYSA-N 439.951 2.466 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722507710 IYEOORLOHWPXQK-QTMHVTGLSA-N 440.610 2.411 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1722554290 DABIUWRKFXKJQA-HZPDHXFCSA-N 444.001 2.065 30 10 IEEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722567725 JCHQBNBGJDVTLB-HXUWFJFHSA-N 436.965 2.228 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(C)=O)C1 1722629094 MSYJDNOELBMECR-IBGZPJMESA-N 437.548 2.214 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1722698402 YLLVSZDQOLMLGS-HSZRJFAPSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722701370 OEYUQDLJLGGAHY-LEWJYISDSA-N 439.560 2.140 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722735401 KOPVIRRLBUINSJ-INIZCTEOSA-N 438.623 2.300 30 10 IEEE C[C@]1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)COCCO1 1724039546 HRPQFXMYYHLKMF-KUHUBIRLSA-N 448.321 2.242 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(S(C)(=O)=O)CCC1 1727602079 DLIUZUWXZOYUDN-UHFFFAOYSA-N 446.552 2.145 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1csc(C)n1 1729034071 PQKVZFMJCHVZKQ-UHFFFAOYSA-N 425.518 2.357 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCNC(=O)C2CCC2)CCO1 1731186970 IBYRNIMONOUURJ-QGZVFWFLSA-N 442.495 2.031 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740624831 BCNHSWSGKZYQDK-VQTJNVASSA-N 428.558 2.042 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCCC1 1740650477 BPOJDCSGYLZIIP-UHFFFAOYSA-N 443.559 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1740654367 IRQOGLBAEGRNCY-GOSISDBHSA-N 428.533 2.296 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740716936 FCKNUOKSTHFIHP-FUHWJXTLSA-N 446.598 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740730154 TVDTUMHAIDPZRG-PONJGIIJSA-N 430.553 2.382 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1740855261 MJTPCAXPAPLNTD-VQTJNVASSA-N 436.560 2.462 30 10 IEEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740879082 GBKGESYRSZNHIC-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nnc(C)s2)C1 1740973494 YGWYDTPIRKQQSH-JXFKEZNVSA-N 434.566 2.114 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1740984537 DIRBXMXPZGUTNP-LJQANCHMSA-N 434.504 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740994358 QGMMVYHNVSTILI-BBTUJRGHSA-N 438.594 2.298 30 10 IEEE CC(C)C[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741419256 HAERPFGAIUCINF-QZTJIDSGSA-N 426.521 2.379 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1741501589 CIGMAMNBNBBENQ-MZKRTTBSSA-N 441.532 2.477 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C1 1746552251 FZRRILYEJAKIOY-LJQANCHMSA-N 446.577 2.293 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1748735311 OUDSFYMNWBSKRQ-SFHVURJKSA-N 443.573 2.257 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1nc(CCOC)no1 1748752419 WRWLPFZLXJOSRJ-SFHVURJKSA-N 438.488 2.412 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748808896 IKUGJZNWEPHTGG-UXHICEINSA-N 441.601 2.365 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748818373 ZFYXKRACXLNULF-IAGOWNOFSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[S@](=O)CC 1748907277 QMLASBZXEGMTSE-PVQQOCSKSA-N 447.605 2.280 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOC)CC1 1748999792 FZHRLQICXJJXLW-SFHVURJKSA-N 432.569 2.142 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1)c1ccccc1 1749242372 HFEGFJHEEPTCAO-OAHLLOKOSA-N 428.518 2.152 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1749587105 IEQONXQFHNUGEY-OAQYLSRUSA-N 446.529 2.224 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750445186 RJTBGGVJXWURAW-FTHOYRMOSA-N 441.580 2.167 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1750980376 MGEGRVWVMGJDQU-IBGZPJMESA-N 433.520 2.164 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1760127138 ROYOQRIAIPBCDG-OKZBNKHCSA-N 434.585 2.085 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(C)(C)O)c1 1760128699 PUFPVHGKZXZNED-SFHVURJKSA-N 425.533 2.389 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1760135207 MOJGNZLQQJOKSY-QGZVFWFLSA-N 447.543 2.145 30 10 IEEE C#CCCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159455 HLUBDJHMMULSAA-ZACQAIPSSA-N 430.553 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1nc(C)no1 1760212468 VUPRRVRSINFFLD-JOCHJYFZSA-N 426.521 2.106 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760237069 UNTLJVJWYAGCGK-HSZRJFAPSA-N 430.556 2.338 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(C)=O)nc1 1760237268 CHVMGHVTSKAMRV-UHFFFAOYSA-N 437.529 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCCCC2)CC1 1760269476 JCVBHBUCDXTCGU-NRFANRHFSA-N 442.608 2.362 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN(C)CC(F)(F)F)CC1 1760269880 FQUDUQOKCQLCTQ-UHFFFAOYSA-N 442.530 2.327 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1760277554 OSVDTUXSGIMVSH-NRFANRHFSA-N 427.530 2.003 30 10 IEEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760452988 UICWHXIWDDQEQC-KNQAVFIVSA-N 444.624 2.202 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCCn1cnnn1 1760480202 NXRWZTBRRGSATB-HXUWFJFHSA-N 433.520 2.313 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760525089 TUXJDVMRZXNMBX-FQEVSTJZSA-N 438.576 2.365 30 10 IEEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)c1 1762008816 CWDQRKMWHBLCQS-UHFFFAOYSA-N 446.577 2.233 30 10 IEEE C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)C1 1763108547 ZEUHTGBJBSJHHO-UDJKBAMHSA-N 438.536 2.077 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(Cl)cccc1OC 1771223356 VOADKIINNMAOEO-LSDHHAIUSA-N 435.912 2.441 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(N)=O)CCCC1 1771298041 JPPZAONYNRILHQ-XGHQBKJUSA-N 430.553 2.178 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C 1774369425 QPBDLPGIZYZMHR-UHFFFAOYSA-N 437.541 2.254 30 10 IEEE C=CCN1CCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2-c2ccncc2)CC1 1848445285 VIXMILRIUZLTCA-UHFFFAOYSA-N 432.484 2.044 30 10 IEEE C[C@H]1CCc2nn3ccnc(N4CCN(CC(=O)Nc5ccc(C#N)cc5)CC4)c3c2C1 1848468554 DGJHIOMBELMOHL-KRWDZBQOSA-N 429.528 2.486 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)[C@@H]1c1cccc(F)c1 1850411315 ISOOKMXDPWKZTB-UNMCSNQZSA-N 440.519 2.346 30 10 IEEE COc1ccc(S(=O)(=O)C2CCN(C(=O)COc3c(C#N)cccc3OC)CC2)cc1 1852143395 DYIXQDZUKGPKBF-UHFFFAOYSA-N 444.509 2.419 30 10 IEEE COc1ccc(OCC(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)cc1 1852230349 WBOWLSSCEDPXMJ-UHFFFAOYSA-N 436.921 2.421 30 10 IEEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CS2 1852604737 KPGRWKUYXLNTQK-HNNXBMFYSA-N 429.933 2.148 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CCC(=O)N3Cc3ccc(Cl)cc3)CO2)nc1 1852697745 ZYDPHKNDMBQABL-QZTJIDSGSA-N 426.860 2.461 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)c2ccc(C(F)(F)F)nc2)CO1 1853949279 WYXBJUPBSAOROA-ZDUSSCGKSA-N 427.360 2.134 30 10 IEEE CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)O2)CC1 1857457047 DHDIGNRUCFPGFL-KRWDZBQOSA-N 439.921 2.429 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CCCC(=O)N3CCCC3)sc2c1 1866189526 NQZZEWBTULIZFF-UHFFFAOYSA-N 436.559 2.492 30 10 IEEE CCN1CCN(C(=O)[C@@](C)(CC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868796816 XMYILJGSXPHAER-WMZHIEFXSA-N 445.633 2.474 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3F)CC2=O)cc1 1870110770 HWJGYFOSMRYHDY-OAHLLOKOSA-N 434.431 2.337 30 10 IEEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870151535 YUDOEQFIECONCP-MRXNPFEDSA-N 444.451 2.446 30 10 IEEE C=CCN=c1[nH]c(=NC2CC(C)(C)NC(C)(C)C2)[nH]c(=NC2CC(C)(C)NC(C)(C)C2)[nH]1 1871740484 NYLFBKOYLIIEJL-UHFFFAOYSA-N 444.672 2.177 30 10 IEEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873561331 LITXOCITCMCMTI-UHFFFAOYSA-N 432.528 2.416 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874280184 METGWTFLGPBVGK-BFTVFPACSA-N 445.545 2.447 30 10 IEEE NC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc2c(c1)OCCO2 1874370638 KLCPGCHADJQOOC-SRZZPIQSSA-N 429.527 2.356 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3cccc(OC)c3)CC2)CC1 1890307663 HTLJSENPTLDUBJ-OAQYLSRUSA-N 443.588 2.111 30 10 IEEE C=C(COCc1ccccc1)[C@H](NC)[C@H](O)c1cc(I)nn1C 1899719285 XWAUGWUZMWFYOH-DLBZAZTESA-N 427.286 2.419 30 10 IEEE CC[C@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900455779 WVJGHFDOMPNYEN-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 1902433977 TXKUMCZISGMEHL-OALUTQOASA-N 437.558 2.428 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)(C)S 1990679458 MUYAIUVBPKVRJE-JKSUJKDBSA-N 439.578 2.290 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010545490 WAWJJTCPQXNVJE-YYDVJCTNSA-N 428.533 2.153 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2011682393 VQCFJSVCTBIPHR-HZPDHXFCSA-N 439.553 2.192 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418343 AQRXZCAMTBPMET-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247833389 FSXQCZYYDMZMQW-OLZOCXBDSA-N 437.371 2.333 30 10 IEEE CC[C@H](CN(CC)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255630068 FIHBKJCRFJTRCO-CQSZACIVSA-N 436.362 2.474 30 10 IEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H](C3)N2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255822843 QEIJCGBVOYGXKP-KBPBESRZSA-N 432.330 2.248 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CC(NC(=O)OC(C)(C)C)C1 2255873085 BFKCXMLFZKLOHX-UHFFFAOYSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255937894 ADYZWUKMZYYDAZ-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)NCCOCCC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256627338 URYCFHSSTIJPRF-UHFFFAOYSA-N 435.330 2.251 30 10 IEEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256668579 CEMFTCKMXPOHIC-BBRMVZONSA-N 435.330 2.248 30 10 IEEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256927890 OJEMBIAOBMSPTM-HZPDHXFCSA-N 437.321 2.106 30 10 IEEE CON(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C)C(=O)OC(C)(C)C 2257487172 LFGXJHBRLSIOCI-UHFFFAOYSA-N 435.330 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267093447 UQEOHKUIZGSGGI-UHFFFAOYSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267096248 RSXNJNTUPZCBCI-ROUUACIJSA-N 446.353 2.086 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C 2267125066 RFHVZRKQVVDFDV-HUUCEWRRSA-N 448.373 2.330 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267138672 ZCHOLDYGNXMSRL-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 2267143507 IULFVXNDHGHMOV-CQSZACIVSA-N 448.373 2.474 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCCN1C(=O)OC(C)(C)C 2267182299 DUDBSIYDGKKZAK-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267185328 UGWONFPTKUWGLQ-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](F)C1 2267273019 HFNHTEPXKXQTCF-IRXDYDNUSA-N 449.332 2.458 30 10 IEEE Cc1nn(C)c(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267518525 CIGPKKISFIFLKT-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2267590570 QMYSRGFSRDTABU-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267870085 ADDMCFRTKCZPQJ-CABCVRRESA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2270884873 NYARJQJPCCYMRA-OAGGEKHMSA-N 444.341 2.360 30 10 IEEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271394640 KLVMSPDMBQZRLL-GOEBONIOSA-N 446.357 2.294 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c1 2282120021 AJOJTPMJZMFPPG-HSZRJFAPSA-N 449.404 2.498 30 10 IEEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2315525279 FVRBCDVKXMEECS-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE C=CC[C@@]1(CO)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364187943 GSUDAPKNGYDUBK-JOCHJYFZSA-N 434.558 2.433 30 10 IEEE CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33928940 UFLBLSHMDVNUDM-WKBIFNHDSA-N 432.571 2.400 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1 57927789 NSQBCCJVWCTMPV-UHFFFAOYSA-N 427.526 2.186 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cn1 59831742 OSUREIWAQACLRG-QGMBQPNBSA-N 427.450 2.272 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN2C(=O)COc3ccccc32)cc1 109892226 RFBZKUPVMSHJDA-GOSISDBHSA-N 436.493 2.214 30 10 IEEE Cn1c(=O)c2c(nc(NN=Cc3ccccc3O)n2CCCc2ccccc2)n(C)c1=O 254396928 IHDCNOSNTCDOLA-UHFFFAOYSA-N 432.484 2.218 30 10 IEEE CCN(CC)c1ccc(N2C(=NC(=O)COC)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 254572419 FJYIXYFSMHGQTP-IAGOWNOFSA-N 425.576 2.089 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1Br 433349885 ASAHXXNDTHLPFO-QIHGSZKUSA-N 435.343 2.108 30 10 IEEE CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 435684829 NAVSDDHCVIBOBZ-GUDVDZBRSA-N 447.557 2.394 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 445668780 QQIVZTQPGZBQTC-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1OC 466102073 JZTVBGXLDMNJCP-UHFFFAOYSA-N 438.484 2.122 30 10 IEEE N#CCCCOc1cccc(C=c2sc(=CC(=O)C3CC3)n(Cc3ncccn3)c2=O)c1 478250176 KULWCRWIQAGFCN-UHFFFAOYSA-N 446.532 2.019 30 10 IEEE C=C[C@@H]1CCCCN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 488842976 LODOIYMHNUAMJI-OAHLLOKOSA-N 429.336 2.370 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3cccc(F)c3)CC2)cc1 502219888 PPANHSWSTFVPAH-UHFFFAOYSA-N 429.473 2.193 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 504093149 POIYNQVOAVRXKI-QFIPXVFZSA-N 433.480 2.137 30 10 IEEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N(C)Cc1ccnn1C 508750586 ZZSCYSREDCPUNZ-UHFFFAOYSA-N 441.561 2.286 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1Cc1ccon1 532194588 LLQXMIHCGSUKOD-UHFFFAOYSA-N 425.897 2.472 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1c(Cl)cccc1Br 548986029 JMTBELATAGSXLZ-UHFFFAOYSA-N 446.714 2.335 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 561383654 UOABGZTUMBPRCP-UHFFFAOYSA-N 444.557 2.360 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)n2)c(Cl)c1 611836111 FAFJWSIVZYHVIU-MRXNPFEDSA-N 428.880 2.299 30 10 IEEE C=C(C)Cn1c(COC)nnc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 670198750 GWXSFNZACYBRCQ-UHFFFAOYSA-N 431.537 2.349 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 731020538 RNLTXLOVTIYMHR-KRWDZBQOSA-N 449.573 2.365 30 10 IEEE CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732700504 HVIZGFACNYEEDA-XLIONFOSSA-N 428.556 2.410 30 10 IEEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cn2)c1 748974620 GPBLPBOMCWVHLW-HXUWFJFHSA-N 439.497 2.356 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1N 750411481 IRVZGQVSQJAAKK-AWEZNQCLSA-N 445.497 2.173 30 10 IEEE N#Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)ccc1N1CCC(O)CC1 759254116 HEXOLMJRFAVVBH-OAQYLSRUSA-N 434.496 2.468 30 10 IEEE C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)O)c(Br)cc1Br 761308171 DKCYHRWLASJALD-UHFFFAOYSA-N 435.093 2.167 30 10 IEEE CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C)cc(Br)c2)c1=O 772274339 DNNRHIOBYGKBML-UHFFFAOYSA-N 446.370 2.126 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOCC)[C@H]1CCCO1 773051469 NALQUSJTACBNHG-LSDHHAIUSA-N 432.336 2.324 30 10 IEEE C#CCN(C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 774191376 XZFDMWSHQQLMEF-RXVVDRJESA-N 436.537 2.495 30 10 IEEE C=CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc(NC(C)=O)c1 779751941 AYHDFJZYKCUIFF-SFHVURJKSA-N 430.530 2.448 30 10 IEEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2O)CC1 780178624 ZOLKLEQLDCGEPM-QMHKHESXSA-N 445.516 2.234 30 10 IEEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 780180514 RSTVNIXVIWNWQI-NXHTTZLHSA-N 446.500 2.478 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCc1c[nH]c2cccc(OC)c12 784777897 SLYUECSNIPAHKE-UHFFFAOYSA-N 436.468 2.371 30 10 IEEE C#CCN(C(=O)N[C@@H](C)c1ccc(Br)cc1OC)[C@H]1CCS(=O)(=O)C1 786925209 GVARHEXUEUIOIT-JSGCOSHPSA-N 429.336 2.351 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)n1 790106247 ZOKABILPTPWVGL-PZJWPPBQSA-N 428.920 2.364 30 10 IEEE C=CC[C@]1(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCCN1C(=O)OC(C)(C)C 790762041 WJDUICBEMXLQJX-LQVNQTCBSA-N 443.544 2.256 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 808790456 ZTMWWAGLGOICNZ-IMJJTQAJSA-N 425.489 2.499 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 809894359 BLYQJNSARYODDZ-SFHVURJKSA-N 447.561 2.294 30 10 IEEE C=CCC1(S(=O)(=O)NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 810982368 PZBIEWMPNCHEFR-UHFFFAOYSA-N 443.319 2.119 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1 815784363 ZDKRLUMEBJGUIK-INIZCTEOSA-N 426.521 2.343 30 10 IEEE N#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(F)cc1 918556512 DHGUNBQLAUPZPG-FUHWJXTLSA-N 443.456 2.144 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)c(C)c1 1084121981 LOHQLUTZHMQUFP-UHFFFAOYSA-N 427.490 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1136272501 LENAZABGBGKRPZ-UHFFFAOYSA-N 425.482 2.252 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1138049333 UDTHDKTWEVLPFA-ZIAGYGMSSA-N 441.916 2.264 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1167531261 KXPSXFJEUYEKDN-UHFFFAOYSA-N 428.510 2.405 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)c2cccc(Br)c2)CC1 1171116571 AXXLVOZTHFHBCR-RTBURBONSA-N 437.382 2.107 30 10 IEEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1198126698 AAGCZEWEGFRTPA-UHFFFAOYSA-N 438.550 2.327 30 10 IEEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1211840814 YQBNDCWSUYVLTN-NSHDSACASA-N 425.334 2.066 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCNC(=O)C(C)C)c1 1286308596 BOFAUDSPSITRMJ-UHFFFAOYSA-N 447.543 2.492 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286357105 QLSOVQBHIUODOA-QFIPXVFZSA-N 447.587 2.358 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 1286368657 OQFLQWCPWTZCRP-UHFFFAOYSA-N 434.323 2.050 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286387057 NGFOLEPIVZMUOJ-YLJYHZDGSA-N 446.573 2.251 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1286389271 HAZKINAFDBGOQI-SQNIBIBYSA-N 431.537 2.413 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(F)c(F)c1 1286407359 JHJYHCZJGUNSMK-UHFFFAOYSA-N 439.422 2.436 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)CC1 1286664050 SMGZIECHXRYEPP-INIZCTEOSA-N 445.536 2.059 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286698089 LGXIWUCDWPQKIS-UHFFFAOYSA-N 436.520 2.187 30 10 IEEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C(=O)NC)C1 1286709191 YXQUHWGEWPAQMQ-IBGZPJMESA-N 425.489 2.235 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)C)C1CC1 1286732202 MPHJYAKCAHMMHZ-JZXOWHBKSA-N 425.599 2.494 30 10 IEEE C#CC1(NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CCCC1 1288259050 HHKAMTFCZFCGDF-UHFFFAOYSA-N 426.542 2.218 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 1295938181 ZMVUOUNYMZWZIQ-GOSISDBHSA-N 431.539 2.227 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C#N)c1 1297757738 OWUNRVKMFZIRON-UHFFFAOYSA-N 441.561 2.121 30 10 IEEE CCS(=O)(=O)NCCn1c(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)nnc1C(C)(C)C 1297790051 CMHCHLRVBQVLRQ-MSOLQXFVSA-N 430.578 2.258 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCSC2)C1=O 1298878957 QQVZDYGFXGHOHH-HRAATJIYSA-N 426.546 2.149 30 10 IEEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)nn1 1299675320 ONIYGZIWXOYUFH-UHFFFAOYSA-N 430.317 2.142 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC)cc1 1300666306 WRQSAMXYLMIMED-FQEVSTJZSA-N 425.533 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC(F)(F)C2)CC1 1300729376 XRCVMNJKTOMDRU-UHFFFAOYSA-N 445.518 2.151 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1300869617 NBLDXWCMTHIDRM-UYAOXDASSA-N 427.553 2.473 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCOC1 1301417881 XZBJTYAIBAMVFZ-IBGZPJMESA-N 437.338 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1301577823 OBODMLMLJADRJU-KRWDZBQOSA-N 432.546 2.244 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1301676096 FKQYKCBXSLKLSC-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1302758548 XJDSEXNXZOQAHT-UHFFFAOYSA-N 448.618 2.432 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)CC1 1303000199 BZOHSVVBPINQBV-MRXNPFEDSA-N 433.509 2.138 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@H]1C 1305467855 PRSOVEFKKPXENG-JKSUJKDBSA-N 425.537 2.047 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCOc2ccccc21 1305789103 CPCYGQITBSTDBP-AEFFLSMTSA-N 438.532 2.492 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1313589648 JNPMXLVJFNOGEV-INIZCTEOSA-N 439.488 2.459 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1316459748 ZTEGSFSNGAAYET-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE COc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1357637658 KVQZRCUCDGIKMB-MRXNPFEDSA-N 440.887 2.119 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1358872709 XTYHYENBGNOTBC-OLZOCXBDSA-N 434.547 2.111 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)c1 1358901980 BVLNDITXAFDJGK-FQEVSTJZSA-N 434.544 2.100 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1358962101 KKNGEQYIGAIYOH-ICSRJNTNSA-N 444.557 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)O)CC1 1359042457 HEHIPJHBOINBGS-UHFFFAOYSA-N 445.951 2.344 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1359094399 AROKDGUHBJUGOE-UEXGIBASSA-N 443.523 2.407 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NC)CC1 1359229791 VIIHEWJLLJEMCX-UHFFFAOYSA-N 428.537 2.220 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359240049 DYZRYKQPLQXJOF-CABCVRRESA-N 427.571 2.058 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359296485 KZHHBRQIBCVHGP-IBGZPJMESA-N 449.559 2.252 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1360475887 FNZCHTOEFMRJBQ-DOTOQJQBSA-N 431.562 2.194 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 1459396861 UWHHUUYYBMOEKR-LJQANCHMSA-N 442.560 2.349 30 10 IEEE N#C[C@@]12CN(CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C[C@H]1CS(=O)(=O)C2 1460839119 YMHFCURXYGSSCN-LPHOPBHVSA-N 441.475 2.067 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1464806524 OEVBCXHYFJNKLT-UHFFFAOYSA-N 431.456 2.459 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c1 1465171800 HDXSWZDCAKNVCQ-UHFFFAOYSA-N 436.896 2.129 30 10 IEEE Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCn2cnc(C#N)n2)ccc1Cl 1467838367 DKCMJFTXSBBJPS-UHFFFAOYSA-N 444.904 2.342 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)nc1 1471984191 QZEJNZDGIKVQSJ-IMFGXOCKSA-N 434.418 2.167 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N1CCCOCC1 1474973845 HVOFYJABAFXJLT-INIZCTEOSA-N 429.336 2.175 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1476289015 IZDOWBTZRPOCHL-WMLDXEAASA-N 427.505 2.436 30 10 IEEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1492814491 CVSIORUXKZKABL-GOSISDBHSA-N 429.546 2.331 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1503254324 YKYDJGMEOUEAMK-UHFFFAOYSA-N 431.493 2.392 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1503746337 IVSYMOGXNMROFR-IAGOWNOFSA-N 430.459 2.203 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC2CC(F)(F)C2)cc1 1505319589 BHGDIKVAQQDFGJ-UHFFFAOYSA-N 437.472 2.009 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507580716 KNHZVQWWYYUODA-SFHVURJKSA-N 441.967 2.150 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1507583366 QCGNUIJJOXWJGX-KRWDZBQOSA-N 447.543 2.351 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507623870 YQCRFYOOSAHQOV-IBGZPJMESA-N 435.638 2.324 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1507633243 FBCIRNDMFGNKQZ-MRXNPFEDSA-N 445.589 2.409 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1CCS(=O)(=O)CC1 1507677299 XULPKSUFHGKTIE-UHFFFAOYSA-N 440.569 2.453 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507936286 ALEISEKLKJUHGW-UHFFFAOYSA-N 430.475 2.277 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCc1ccco1 1512936789 KQIOBWDAWZVBQN-CQSZACIVSA-N 435.488 2.236 30 10 IEEE CCc1cnc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1513718539 BBFWQXNFMJHYON-QRWLVFNGSA-N 432.550 2.115 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cc(OC)ccc2OC)CCOC1 1516181795 ICXPSJFEPZDGBQ-VXKWHMMOSA-N 445.495 2.438 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1521069567 OJEIWLZXFPBGPT-UTKZUKDTSA-N 428.468 2.097 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OCC 1531936280 CFABWRZPEGUWHB-CJNGLKHVSA-N 445.969 2.250 30 10 IEEE CC(C)[C@@H](C(=O)Nc1ccc(C#N)cc1I)N1CCCS1(=O)=O 1535357419 MNXQJGZTTRNUKZ-AWEZNQCLSA-N 447.298 2.161 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1538570762 MLTYFPKRALGXAX-MDZDMXLPSA-N 443.481 2.175 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1539177975 CQJKXPGFZKJFJO-HKUYNNGSSA-N 429.590 2.379 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539210255 ALMOYTFWUCIYTK-LJQANCHMSA-N 444.557 2.007 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(F)cc1 1539266420 QIZBHCKRIVZBFX-QGZVFWFLSA-N 428.533 2.370 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539926521 PFSZJMYWJSNJQA-MRXNPFEDSA-N 429.525 2.272 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539997722 SLAKHMMZJGXCCU-IBGZPJMESA-N 438.580 2.224 30 10 IEEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1540154874 FPVWBACQNXPBMP-NRFANRHFSA-N 438.594 2.322 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@H]2C1 1540160120 GCNQKLXELPJHFQ-NJDAHSKKSA-N 444.601 2.148 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CC1 1540871350 JRZXHYRJKSEZAM-QGZVFWFLSA-N 448.568 2.125 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1540893370 BJGSDTQKEAWHEO-MOPGFXCFSA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCOCC2(CC2)C1 1540904843 QSKOLHNGWBCLOQ-UHFFFAOYSA-N 430.574 2.395 30 10 IEEE CS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1544565443 FRBXGLPKNFXHFK-KRWDZBQOSA-N 445.928 2.426 30 10 IEEE CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1547735166 ASWFIOCXFDISSH-XMMPIXPASA-N 436.608 2.422 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1554185117 HYKSHSUTWSZDHS-LJQANCHMSA-N 448.531 2.013 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCCC[C@H]1C 1555753013 JWAWDDNKMGKLDJ-MHTWAQMVSA-N 446.596 2.385 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 1558073254 OTZOKVOSFLNNGO-FQEVSTJZSA-N 447.944 2.072 30 10 IEEE C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1562002052 NEFTZPHLOBREFA-NSHDSACASA-N 433.267 2.254 30 10 IEEE COC(=O)[C@H]1CN(C(=O)NCc2ccc(C#N)s2)CC12CN(C(=O)OC(C)(C)C)C2 1564954008 CCGJERBCKHKMTG-OAHLLOKOSA-N 434.518 2.171 30 10 IEEE COC(=O)Cn1nc(C)c(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1C 1567155088 SZYZLZVPIJRKEC-KRWDZBQOSA-N 435.525 2.266 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 1569725182 PNDXZKYOQCCQMP-QGZVFWFLSA-N 428.938 2.405 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C(=O)OC(C)(C)C)cc1 1586240242 OTTFQLDYUAFUGA-UHFFFAOYSA-N 428.510 2.483 30 10 IEEE N#Cc1cccc(ONC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)c1 1587208698 KXTPTKWFBWNJDF-UHFFFAOYSA-N 430.667 2.345 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1587652070 UINVVLXUMXEALK-HXUWFJFHSA-N 444.587 2.307 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1587667766 MKIBFRLMEJXQMZ-CCWVLBSLSA-N 448.527 2.458 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCOC[C@@H]1C 1588083335 FDEIONRBZOUVNR-OALUTQOASA-N 425.508 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)Cc1ccccc1 1588171070 SUJPHLXSAXSYHC-NRFANRHFSA-N 432.572 2.498 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1588180435 FUVLUXYSFQKGRR-KRWDZBQOSA-N 449.490 2.231 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(=O)N1 1588574652 PAKIJYQHZVXQJD-RTBURBONSA-N 425.533 2.400 30 10 IEEE C=C(Cn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1593796244 MFSSZNGTIQAYET-NHCUHLMSSA-N 433.512 2.338 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1594697788 HKJUBXDHYIRZIO-SFHVURJKSA-N 435.536 2.192 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595516844 KMXJTLFDOJLNSH-VQIMIIECSA-N 444.967 2.058 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595555514 AUOPSLQLOYIUFT-LJQANCHMSA-N 439.560 2.311 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1595603036 VYJSUEPRIKSUJQ-BFMVXSJESA-N 431.581 2.360 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(c2ccncc2)CC1 1596781794 FDJOSJUUTHVKIE-GOSISDBHSA-N 436.564 2.422 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 1603045924 LMMLPSCHYWAFLJ-MRXNPFEDSA-N 429.473 2.158 30 10 IEEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1611055634 KHHAXUPQHJRKLD-CQSZACIVSA-N 432.502 2.058 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1611771040 QOIDKHZOKUYIKD-AWEZNQCLSA-N 442.911 2.112 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nc(C)no1 1613828047 FZPHOYKGFVPYTL-SFHVURJKSA-N 437.504 2.473 30 10 IEEE C=CCN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)C1CC1 1616576162 JLFJZABQHLJTQL-WQRHYEAKSA-N 445.566 2.383 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Br 1616734627 HTRKRZXMBNWFLI-UHFFFAOYSA-N 430.320 2.270 30 10 IEEE CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1617939664 FQVGJOCPKULTAO-XDOYNYLZSA-N 445.483 2.209 30 10 IEEE COCCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619836758 MMTHEYZTKNMVCG-VSKRKVRLSA-N 438.576 2.494 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1620359253 USDQXZVOYFLMLF-CQSZACIVSA-N 435.472 2.237 30 10 IEEE C=CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@H](Cc1ccccc1)C(=O)OCC 1625219959 CFURKFDKUZCAAW-NJDAHSKKSA-N 437.496 2.146 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1 1625441201 LLRXSMOUXLKELR-AWEZNQCLSA-N 431.334 2.228 30 10 IEEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1627604191 HNLUMTTZEUQDKM-IBGZPJMESA-N 432.484 2.404 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N2CCC[C@@H](CC#N)C2)c(=O)n(-c2ccccc2)n1C 1629174354 DQGHTMREJXDQFZ-KRWDZBQOSA-N 441.557 2.308 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1I 1633445858 HGLMSJSJIFYQJR-AWEZNQCLSA-N 435.269 2.173 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1635090192 HBFFVXSQGCZTNP-UHFFFAOYSA-N 433.253 2.224 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1639751293 RJXGCNFBMZVQDJ-KRWDZBQOSA-N 439.493 2.402 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCOC1 1649672818 DRVIBWDNJLDRBE-OALUTQOASA-N 449.353 2.328 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cccc(C#N)c4)C3)[C@@H]2C1 1650818281 BDAQUKVJOHWSNW-KURKYZTESA-N 426.473 2.213 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4cccc(C#N)n4)CC[C@@H]32)CC1 1651146488 FALVJJCHXXRXNL-MSOLQXFVSA-N 426.521 2.325 30 10 IEEE C#CCCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1657447394 ZPPUODGSOSZEIQ-UHFFFAOYSA-N 431.555 2.434 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 1672015784 YXTBVPKYLGOYCU-UHFFFAOYSA-N 439.896 2.269 30 10 IEEE CC(C)(C)OCCCN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1686055661 MDLVSAFYSXUWOO-ROUUACIJSA-N 437.585 2.278 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689979600 DNUUWNBORARWFR-RBUKOAKNSA-N 435.638 2.324 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1689979987 JZPOOSSIYDUICH-GOEBONIOSA-N 437.591 2.070 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1690048962 USJKIAIDJKFASX-UHFFFAOYSA-N 447.992 2.313 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)Oc2ccccc2F)CC1 1690109264 MEWVZELCUAJQBJ-GOSISDBHSA-N 442.539 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)cc2OC)CC1 1690154678 WJFWICJYOOQBJA-HXUWFJFHSA-N 437.544 2.461 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690316292 CMUFBWZOARYMIN-GOSISDBHSA-N 430.553 2.076 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CCO1 1690955969 IBAOOUALIKBVNU-PMACEKPBSA-N 440.573 2.444 30 10 IEEE CCc1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694707324 AVAHIWMHQXATIM-KHOFPDMRSA-N 436.516 2.415 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695611523 IXUOAMSXIUMRIQ-JKSUJKDBSA-N 425.537 2.047 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1698255527 UDMSHURCRVGXGL-MRXSCTINSA-N 446.596 2.241 30 10 IEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1)c1ccccc1 1705742609 ARSPFQPJVPWFOH-QUCCMNQESA-N 429.590 2.424 30 10 IEEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)C(C)(C)C)CC1 1705767227 FEVMROWAFZKCCI-UHFFFAOYSA-N 435.550 2.376 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1705862496 MJYBIHARFFRRRG-XMSQKQJNSA-N 429.496 2.366 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705933114 UTXXSVBKQLOOMR-MRXNPFEDSA-N 444.536 2.412 30 10 IEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1706637522 XKKIDFXYEXFJMO-IRXDYDNUSA-N 426.521 2.257 30 10 IEEE CC[C@H](C)c1nnc(N(C)CCc2nccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1708408247 KGOOLJMDAFDOEN-STGLLQLASA-N 429.550 2.453 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1 1708908512 HKKWFLHYUDJOHG-FDDCHVKYSA-N 440.523 2.444 30 10 IEEE CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)o1 1708982093 CPXWXURAKKXBNP-YWZLYKJASA-N 432.550 2.217 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC=C(Br)C2)C1 1711273722 GBSUCJXIHKSURT-FQEVSTJZSA-N 443.349 2.372 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1722335077 AUZXAYWRZFZOJC-LJQANCHMSA-N 440.523 2.113 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NC 1722418131 GMFQDBIBCZHONR-QHCPKHFHSA-N 443.523 2.234 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722459518 LTCQJNSUJDBVDD-LJQANCHMSA-N 437.573 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1722472280 IPJIGJMZBBKGKS-HXUWFJFHSA-N 445.449 2.187 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CC=CCC1 1722679863 OJNUBJOAEWWSMT-UHFFFAOYSA-N 435.532 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(C)C)C1 1722725590 OLSGLABWYSSTPP-IBGZPJMESA-N 434.562 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1722729825 YBTFTJXAIBECBI-MRXNPFEDSA-N 449.487 2.385 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722813979 IDOYISZTBFOIAZ-UNMCSNQZSA-N 449.559 2.180 30 10 IEEE CC[C@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1726858878 BZMIMHFAWHLUSY-UGKANONSSA-N 446.596 2.240 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1728095734 AOEPFKCSRPJLHV-QGZVFWFLSA-N 445.518 2.366 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1729811770 DUZMQEVIHDJOEU-OAHLLOKOSA-N 435.550 2.023 30 10 IEEE CO[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1729859235 PXMFSTMOJOVUSZ-ROUUACIJSA-N 449.481 2.408 30 10 IEEE CO[C@H](CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1729860408 XDYAFYSWIPAWHG-ZIAGYGMSSA-N 430.456 2.330 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730494039 JEIISRJUIADORQ-WOJBJXKFSA-N 428.512 2.308 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625891 TUFRRXDGGOCNNR-LJQANCHMSA-N 434.606 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1740645663 QCVNHRYNAXAGFL-NRFANRHFSA-N 429.977 2.363 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1740726322 XMIOUCKIJHSZQD-ISKFKSNPSA-N 445.608 2.422 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)ccc2OC)C1 1740971575 ZMMHCYQMGAULDN-SFHVURJKSA-N 429.521 2.263 30 10 IEEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1741858332 COMZAWPNRFHSTM-FQEVSTJZSA-N 444.587 2.408 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)n[nH]1 1742602453 XUSGNNCJJMPIGB-LLVKDONJSA-N 432.330 2.311 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1748689374 BHXHIVJEUPUORE-HRCADAONSA-N 432.569 2.279 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749238934 DWVGXGCVPOECMZ-HSZRJFAPSA-N 436.516 2.180 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749255666 GQQCQKGTVSGIMN-LSDHHAIUSA-N 438.893 2.215 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749277605 IADFMGHYYZPXAU-UONOGXRCSA-N 434.953 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCC[C@H]21 1749738765 WYFKXBMMAWUSPH-JKSUJKDBSA-N 449.602 2.249 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC[C@@H]2COCCO2)c1 1750381345 QHQVQPSJZMFIDS-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCSC1 1760161088 WSCPNLDFUKPTNS-OAQYLSRUSA-N 447.008 2.368 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760190398 QAARRXRTFNIFJQ-QUCCMNQESA-N 446.548 2.060 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1c(CC)nn(C)c1OC 1760288544 GDQFISJYOBPDKN-OPAMFIHVSA-N 430.553 2.347 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1760292915 KLVJCZBHLAZIGL-XMMPIXPASA-N 447.543 2.145 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760378317 GOJDJPMSGIFPRH-HNNXBMFYSA-N 436.969 2.375 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760382290 NHUMTDLPOMJANR-HKUYNNGSSA-N 432.594 2.348 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760437093 REZNNJXMVIAMKW-HNNXBMFYSA-N 433.534 2.110 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1760559399 GZXQTSFVSKRTRY-QAPCUYQASA-N 431.628 2.203 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NC1CCCCC1 1760932331 RGWPHMLTKJBMFZ-UHFFFAOYSA-N 436.564 2.444 30 10 IEEE CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C#N)C1 1763996093 OSXULDSAFQEDJS-MRXNPFEDSA-N 431.566 2.466 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1767087784 HXCCBPXYQYOTHM-LJQANCHMSA-N 435.532 2.140 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(F)cc2C)CCOC1 1767481431 CEBRTCKRUAJOSV-SIKLNZKXSA-N 429.496 2.349 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c(CC3CC3)nnc2N2CCC(CC#N)CC2)c1 1767839365 HJBOCJMWJNEOTC-UHFFFAOYSA-N 428.562 2.317 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1768663544 USDBODVRVCRONM-QGZVFWFLSA-N 449.540 2.056 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1769368529 GBJYIKQMPQGXKK-KFKAGJAMSA-N 428.562 2.381 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)Nc1ccccc1 1769993745 BLZLDSMPSWYQPZ-IIBYNOLFSA-N 430.484 2.473 30 10 IEEE COCCOCc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1770129027 UIQPQJKZOIVSRP-NHCUHLMSSA-N 441.532 2.112 30 10 IEEE COc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1770313740 ZBKZNKKXUAFTNO-CQSZACIVSA-N 429.502 2.336 30 10 IEEE COCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1771026257 OEVWTSMCGSDCSQ-IBGZPJMESA-N 425.537 2.192 30 10 IEEE CN(C(=O)C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 1852784267 WACUUORZJIFSAG-PZJWPPBQSA-N 437.521 2.291 30 10 IEEE N#Cc1ccc(C(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)cc1F 1852866884 XYWIUZHMCIWMHI-KRWDZBQOSA-N 430.457 2.319 30 10 IEEE CN(C)C(=O)[C@@]1(F)CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1855019878 YYSVILFQVKPTPG-DYESRHJHSA-N 434.899 2.039 30 10 IEEE COc1ccc2nc(N3CCCN(S(=O)(=O)c4ccccc4C#N)CC3)nc(O)c2c1 1858579733 DJVBZRTZAMIUMU-UHFFFAOYSA-N 439.497 2.117 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C(=O)O 1862414605 DKLSVRKDDJMRBU-SFHVURJKSA-N 444.390 2.377 30 10 IEEE COc1ccc(CN2C(=O)c3ccc(C(=O)N(CCC#N)[C@@H](C)C(=O)O)cc3C2=O)cc1 1866303874 OLNZQGSNYRCOOM-AWEZNQCLSA-N 435.436 2.320 30 10 IEEE COc1cc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 1870098364 ASIRPEITGYATPO-UHFFFAOYSA-N 433.421 2.105 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3cccc(N(C)C)c3)cc2C1=O 1870142529 FXGLEYRCIOARFC-UHFFFAOYSA-N 443.467 2.462 30 10 IEEE COc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1O 1874289552 KJQYFMKNTRKYHH-LSHDLFTRSA-N 443.485 2.040 30 10 IEEE COc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)c(OC)c1 1874345643 ZCOGFRZYSCCCQT-YDZHTSKRSA-N 441.513 2.376 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1F 1891008451 VRSLHVYUZCOXHK-UHFFFAOYSA-N 442.458 2.243 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1908609385 JDTMDIVSRPUFJX-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE C=CCC1(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1993261563 HVLRTPWIISVHTC-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@H]4COC[C@@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2139654263 QCGBKBUJYXCJGN-LEWJYISDSA-N 436.365 2.256 30 10 IEEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2SC)c(Br)c1=O 2140648318 FAYRHGHYAHATQF-CHWSQXEVSA-N 443.367 2.402 30 10 IEEE N#CCc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1 2174787935 ZIGOYBPMCXOVSI-UXHICEINSA-N 429.498 2.115 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCN)Cc2ccccc2)OC1(C)C 2243418112 WAEGUVKOHWOSTG-UHFFFAOYSA-N 436.408 2.338 30 10 IEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CN(C(=O)OC(C)(C)C)C1 2247826097 NWOZPFAROXIWHK-UHFFFAOYSA-N 439.343 2.065 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247832020 IGLPGVJLWAKPOD-BETUJISGSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247906928 SJMJLUXKQDAXLC-CLLJXQQHSA-N 435.355 2.037 30 10 IEEE Cc1cc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)oc1B1OC(C)(C)C(C)(C)O1 2255826621 CBQSDPUQKZBUHK-ZIAGYGMSSA-N 432.326 2.482 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256034374 IGMWRLKABBHNPS-KDOFPFPSSA-N 433.358 2.208 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256930111 ZVJHUJXWWMLYOP-XJKSGUPXSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H]2OCCC[C@@H]21 2260018655 YOWKZORUSORYTD-WJONJSRFSA-N 434.342 2.200 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267171594 MUBUNZQRBXYFGL-GOSISDBHSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267266646 QYKDLZWDQKLHIN-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2267274075 VIDQORHTGWOOBP-YJBOKZPZSA-N 445.369 2.406 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504736 WQMJSKNJYVEYRI-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267524892 WRNPGDXGETXCLB-CQSZACIVSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267560377 BXDHHBRTIDKCPI-MRXNPFEDSA-N 449.357 2.070 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268702404 VBWDVQVWJFFJSJ-QAPCUYQASA-N 448.369 2.439 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C)C[C@@H](O)COCc1ccccc1 2269704605 JBSRVVGRKIZJIF-HXUWFJFHSA-N 440.349 2.339 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)OC1(C)C 2282666025 DUHRDUFGBKWUST-SFHLNBCPSA-N 448.376 2.416 30 10 IEEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OCC(=O)N3CCC[C@H]3C(=O)O)ccc21 2297475396 YOWHBXKWZNEWRN-INIZCTEOSA-N 437.404 2.486 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(C)(C)NC(=O)OC(C)(C)C 2315533984 MUCLYRZJBHLQNT-ZDUSSCGKSA-N 436.362 2.141 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)n1 2337020850 VYDVOQAAPWIOPF-FUHWJXTLSA-N 447.385 2.401 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2337197555 YAXYLTOFRFOBSD-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccc(C)o3)n2N)c1 21321471 FSNAVVJGDYHWSR-AWQFTUOYSA-N 431.478 2.087 30 10 IEEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@]23C(=O)N(C)c2ccccc23)cc1F 138092475 JABJKFMIRUMWPP-RLRPEEDVSA-N 437.471 2.248 30 10 IEEE N#Cc1nc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)ccc1[N+](=O)[O-] 302683451 AMJJUASBLSSNEJ-UHFFFAOYSA-N 437.847 2.387 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1cccc(C#Cc2ccccn2)c1 439399781 XVYFZGLJIFWRKV-XRXFAXGQSA-N 433.464 2.438 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4cccc(F)c4C#N)CC3)nn2)cc1 445977763 OJFUOZKMNUUONY-UHFFFAOYSA-N 435.463 2.318 30 10 IEEE CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 474213940 ZXVCJALVQCJJOB-MRXNPFEDSA-N 441.557 2.043 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 477652533 VCOTWDKPNONENJ-AWEZNQCLSA-N 429.502 2.029 30 10 IEEE CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478030221 XMGNGNODDVOVMB-MOPGFXCFSA-N 434.562 2.168 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)cc1C#N 489936560 RVANPNIILAVROF-AWEZNQCLSA-N 425.514 2.330 30 10 IEEE Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 552482446 KNNJKEQRDRSBOX-INIZCTEOSA-N 439.335 2.433 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)c(OC)c1 558025580 UISMENJCCNMPCN-SBUREZEXSA-N 445.516 2.183 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 728931032 KUWUCEVUZPIJFG-PXNSSMCTSA-N 446.555 2.289 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1-c1ccc(F)cc1 731232735 IIOYRYZYFBOCAB-UHFFFAOYSA-N 427.464 2.310 30 10 IEEE N#C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CCN1C1CC1 732665165 ZCKJFQAKWDEPDO-CQSZACIVSA-N 436.584 2.100 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCN1C1CC1 732706842 RURZGVGFXKURHM-MRXNPFEDSA-N 432.406 2.028 30 10 IEEE COC(=O)[C@H](OC(=O)CCCNS(=O)(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 740225273 JLJUPQMEZJIVAL-HXUWFJFHSA-N 430.482 2.383 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 749790299 BIHUCPPRBKWGDJ-QZTJIDSGSA-N 436.553 2.250 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccn(C)n2)C1=O 765546609 YREAXYHQQRGEMB-QGZVFWFLSA-N 448.980 2.273 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783423620 RCTAELJVNKXLNY-LJQANCHMSA-N 433.468 2.349 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2CCCN(CC#N)C2)[C@H]2CCCO[C@@H]2C1(C)C 783900544 SQMJOXFWUKEKRO-ORQYLMBXSA-N 434.581 2.437 30 10 IEEE C#CCN(C(=O)N[C@@H](C)c1ccc(Br)cc1OC)[C@@H]1CCS(=O)(=O)C1 786925208 GVARHEXUEUIOIT-GXTWGEPZSA-N 429.336 2.351 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1noc(-c2cccc(Br)c2)n1 793987651 GQZQCKGIWGUAGX-WUKNDPDISA-N 446.261 2.032 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161692 VKQZBQNQLNSBCC-HNNXBMFYSA-N 432.496 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)F 810332142 JLWNESOCNYYGSO-OAHLLOKOSA-N 427.427 2.494 30 10 IEEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nn1 811182708 NCXYVJUMYNVCPJ-WOJBJXKFSA-N 433.424 2.477 30 10 IEEE COCC(C)(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 813565364 ZEIJXDTXESDTPZ-HNNXBMFYSA-N 426.608 2.420 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C)cc1F 813662047 IEZSOIYTPLRZKX-UHFFFAOYSA-N 435.452 2.442 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)C2)nc1 813730309 NJCYVDUOGDYYTA-CQSZACIVSA-N 440.403 2.296 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 873677922 IHDFOLMYHAVWOO-QGZVFWFLSA-N 425.869 2.398 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1OC 915484797 LPBOAQCTEPKQHP-SZMVWBNQSA-N 443.500 2.024 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3F)n2N)cc1 1083965835 XITOMFMBTPSWIS-UHFFFAOYSA-N 443.464 2.094 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)n1N 1084198648 NZAREHQRUAUVNT-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cc1 1134507292 RCTTXLORVIICHR-SFTDATJTSA-N 443.463 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)C#Cc3cccs3)C2)CC1 1136343947 OILNEIQHDZUTIY-KRWDZBQOSA-N 431.558 2.418 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(CC#N)cc1 1163196614 WJTVCYRTWKHAGG-IBGZPJMESA-N 447.944 2.256 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCCN(c4nc(C)cc(O)n4)C3)n[nH]2)c1C 1177876217 WBAZXYOKEBWAAY-MRXNPFEDSA-N 436.520 2.279 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)C(=O)OC 1189692171 GLZGQYRLWAVYTC-CYBMUJFWSA-N 426.716 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nnc2n1CCCCC2 1286310044 WGSIHNZRBXPOQP-ZWOKBUDYSA-N 427.553 2.021 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1286363404 NIRIRWMQLZGXRZ-DEOSSOPVSA-N 445.608 2.423 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286391212 GYIXIYPOULHEPI-REWPJTCUSA-N 442.585 2.155 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cccn1 1286403133 GWQMUVFESIATOD-UHFFFAOYSA-N 426.322 2.406 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCOc1ncccc1F 1286409859 PLCBDESRSLOESP-HXUWFJFHSA-N 433.443 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCS(C)(=O)=O)CC1 1286473610 UXJQVMLMOMFNSC-FQEVSTJZSA-N 429.590 2.010 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1286561421 FAHGGBHPEJFKSG-KSZLIROESA-N 439.626 2.322 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286633049 DLCKYVTYMLMOBA-ROUUACIJSA-N 447.971 2.488 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O)C1CC1 1286733238 VGYYPMKZIZOXSI-UHFFFAOYSA-N 447.561 2.153 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCc2sccc2C1 1286780086 BFDZGAFVVCPZLG-UHFFFAOYSA-N 437.529 2.242 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1286785501 MIKWICOZXGMTKW-UHFFFAOYSA-N 427.896 2.304 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccccc3CC2)nnc1[C@]1(OC(C)C)CCOC1 1286793055 PWUJDQFYLXQACZ-DEOSSOPVSA-N 439.560 2.226 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286794974 CXYYCTSJCYCQQN-QZTJIDSGSA-N 439.516 2.232 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1295174085 CCZDEDBALKVXMO-RBUKOAKNSA-N 429.546 2.255 30 10 IEEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OCC 1298020814 LOMQCFXGZOHIKN-DOTOQJQBSA-N 425.551 2.073 30 10 IEEE CN(c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1298117806 NEJNJJBYRFEKDH-IGGDJGDASA-N 442.907 2.350 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1)C(=O)OC 1299179878 YPWVLZOILPRRPQ-LJQANCHMSA-N 430.482 2.181 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1300298405 BWEKXTOIDPMZRX-RXVVDRJESA-N 431.544 2.198 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@@](C)=O)CCC1 1300439654 FZTJXYRFKJRITR-SSEXGKCCSA-N 432.546 2.342 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1300474982 AKNYBWKNQNIYOK-UHFFFAOYSA-N 448.527 2.215 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300500833 DXCUCLHMOYCTBT-GCJKJVERSA-N 446.573 2.138 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCn1c(O)nc2ccccc21 1300587844 ZSNABWMKGBLJDO-UHFFFAOYSA-N 425.496 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCC)CC1 1300719389 YYODAUGAAXMNGD-UHFFFAOYSA-N 447.547 2.077 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1300777220 RWQZOARKRRFJIM-OAQYLSRUSA-N 431.537 2.325 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1300999935 LFTVXSFVTWACJS-UHFFFAOYSA-N 440.504 2.210 30 10 IEEE COCc1nocc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1301215827 BTNXZTSAHQETSU-MJGOQNOKSA-N 449.515 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1301490573 VRMOIJXRGNNNNN-ZDUSSCGKSA-N 434.903 2.002 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCOC1 1301606550 RZQPYCYBXIOHLG-OAHLLOKOSA-N 436.607 2.383 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cccc(F)c2)CCOC1 1303507295 UEUZOKKEAUJYLV-KNQAVFIVSA-N 445.495 2.266 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)C1 1305166182 UNTPIIRQWHNZRK-ZJYNUGOYSA-N 436.520 2.134 30 10 IEEE CSc1ccc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1C#N 1313290264 BBBIQHHBXXEXTN-UHFFFAOYSA-N 437.569 2.424 30 10 IEEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1316467084 ZBHCCDZGPNKKIE-KRWDZBQOSA-N 448.618 2.288 30 10 IEEE C=CCN1C(=O)N(Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C(=O)[C@H]1Cc1ccccc1 1320761426 DVCHUMWANPEWAH-NTKDMRAZSA-N 432.480 2.303 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1358890504 QIWRVAVIZQMBIX-DLBZAZTESA-N 432.546 2.116 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1358890507 QIWRVAVIZQMBIX-SJORKVTESA-N 432.546 2.116 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1358897537 AUNKQTPVEASVCI-MRXNPFEDSA-N 433.578 2.162 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1358919077 QUIYHYHSEDFZJL-KRWDZBQOSA-N 437.548 2.470 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1358954437 HWHWYGROBRNXRN-IYBDPMFKSA-N 442.520 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1358983893 ZWYBDPUIJFPFHQ-UHFFFAOYSA-N 443.960 2.155 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1359009853 ACZCJVNERKEHIZ-GOSISDBHSA-N 443.552 2.136 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1359199783 HUDPKRIZMIPRQL-UHFFFAOYSA-N 435.536 2.336 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1359293165 JFNIYIQOONIUGB-MRXNPFEDSA-N 434.500 2.103 30 10 IEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359343811 CBWWQPMJUHAZCA-CQSZACIVSA-N 434.516 2.280 30 10 IEEE Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H](C)C#N)n1Cc1nnn(C)n1 1361087178 APYHARZUEVEOQY-CQSZACIVSA-N 443.943 2.419 30 10 IEEE C#CCN(CC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(=O)OC(C)(C)C 1442153613 QMKYIFBGOOLKML-UHFFFAOYSA-N 430.501 2.450 30 10 IEEE CS(=O)(=O)C[C@@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 1452690634 FEYITOHSYGGGIA-JOCHJYFZSA-N 425.554 2.467 30 10 IEEE CC[C@](O)(CCC(F)(F)F)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1456512400 RANWLAFUBGYKMY-PXAZEXFGSA-N 435.468 2.104 30 10 IEEE O=C1NC[C@H](Cn2cc(C(=O)OCc3c(F)c(F)c(C(F)(F)F)c(F)c3F)nn2)O1 1458981695 OQNLGLFIMSHSLA-RXMQYKEDSA-N 442.247 2.319 30 10 IEEE C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1459548452 UONKETRBQQTZQO-PBHICJAKSA-N 426.298 2.410 30 10 IEEE CC1(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1470303828 POAPVFAYRRYEBJ-GOSISDBHSA-N 428.924 2.337 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1CC(=O)OC 1472425137 GJEJYBIEZFWYIA-UAGQMJEPSA-N 435.546 2.132 30 10 IEEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(C)C[C@H](O)c1cccc(C#N)c1 1473620375 HHLWFDWBEWEXBB-CYFREDJKSA-N 436.556 2.061 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1475382472 CDJSYCAWXFGSSY-UHFFFAOYSA-N 442.534 2.291 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)cc1Cl 1475589977 ARDQKIAWQWPTJV-UHFFFAOYSA-N 437.974 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N(C)C 1507650912 WZNKIHBYACANMV-SFHVURJKSA-N 428.581 2.416 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507788599 NMPBJRQMTYBUFM-ZDUSSCGKSA-N 446.396 2.166 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2nc(C)no2)C1 1508129839 FOOZGZGTQZLUNP-GOSISDBHSA-N 426.525 2.245 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCC2(CCOCC2)C1 1508138037 UYZGOHMLSBOQQR-UHFFFAOYSA-N 431.562 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC1(C)C 1508145141 YAHUXIBWTQMSKC-UHFFFAOYSA-N 428.562 2.496 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2COC(C)(C)OC2)n[nH]1 1511564042 MXXKHIOHYYTGBQ-UHFFFAOYSA-N 436.520 2.321 30 10 IEEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1515799713 XCYHPQZHIWSYKE-ICSRJNTNSA-N 436.520 2.170 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOCC2)C1 1521056351 LIGAYUGRTHBOGK-FQEVSTJZSA-N 429.456 2.018 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCCOC(F)F)cc1 1521089986 NVBIUWGOCCGVRK-UHFFFAOYSA-N 445.474 2.440 30 10 IEEE COC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1C(C)C 1521650317 NMZYODNBUVHIJT-UHFFFAOYSA-N 436.515 2.497 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 1527788308 XPHMWCUHYXNNKG-VWLOTQADSA-N 449.507 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(-n2cncn2)nc1 1538992826 YYEYOJAEGHOJDO-INIZCTEOSA-N 444.499 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)c1ccccn1 1539250784 SZZUUCBPMULWAN-UHFFFAOYSA-N 437.511 2.366 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539630963 HSUGTOAMMQHKGI-IEBWSBKVSA-N 437.610 2.387 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539967828 UXGPCBOBIOZQJT-AOMKIAJQSA-N 430.553 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](SCC)C1 1540897187 CPARDGKTAWUKTA-MRXNPFEDSA-N 443.639 2.129 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1541115610 BTUZQLKEYQTYRG-DLBZAZTESA-N 441.561 2.216 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCN1CCOC 1546725464 AMGXVYRIHUHMRT-OAQYLSRUSA-N 434.548 2.146 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1548308255 IZSRTUNFHOFSMU-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)c1 1552663026 KPDVLMBJLWMNSX-IBGZPJMESA-N 436.541 2.409 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1554346531 HKTVCXGKUAKTDV-NRFANRHFSA-N 442.520 2.318 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cc1 1554852392 RVBHVXAGDXKRAQ-SFHVURJKSA-N 427.486 2.090 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)cc1 1554967638 FNKBOOFLNVKMPJ-CRAIPNDOSA-N 426.521 2.376 30 10 IEEE COCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555683537 HAUFJJNAIMEQAM-NRFANRHFSA-N 434.500 2.066 30 10 IEEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1558104389 XXLXBIBPUOQVIL-UHFFFAOYSA-N 444.597 2.343 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(F)nc2Br)cc1 1558500354 BYGUJNFLEQSBKO-UHFFFAOYSA-N 426.267 2.086 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1558511045 LOJTUOXQLHBFDU-LFRPXUGBSA-N 433.530 2.283 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1559732437 HIAYUHRFBAPEET-SFTDATJTSA-N 441.553 2.155 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C2CCN(C(=O)OCC)CC2)s1 1567909688 ILAFBDUAWUTARJ-CQSZACIVSA-N 443.591 2.128 30 10 IEEE Cc1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1S(=O)(=O)NC1CCCC1 1586254565 OWBKXUCHJMTTGQ-UHFFFAOYSA-N 429.502 2.067 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1587765114 ASZXKRKRFUQZMB-FQEVSTJZSA-N 444.605 2.405 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1587798664 QBCGRMBTRKFWCC-UHFFFAOYSA-N 437.548 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1595522368 CNEORQJZGINKTO-MSOLQXFVSA-N 439.564 2.164 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1595818699 XMABMAHRUROJIZ-OLZOCXBDSA-N 449.392 2.066 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595866373 IHHODVUOEMWXRC-LJQANCHMSA-N 429.638 2.419 30 10 IEEE C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1611590874 BXZURCZRUDWLQK-HXUWFJFHSA-N 444.587 2.408 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1614079863 LNDDNUXCZMGUPC-SFHVURJKSA-N 426.521 2.259 30 10 IEEE CCN(C)C(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@@]1(OC(C)C)CCOC1 1615139141 LPRJUEJWCWNWAT-HSZRJFAPSA-N 440.548 2.305 30 10 IEEE CN(c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1617734490 WSWNGVWCOLFJTD-AOMYARPXSA-N 442.907 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(S(=O)(=O)CCO)cc2)CC1 1623739113 LXZCUZKXBGRYQQ-UHFFFAOYSA-N 436.530 2.042 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)COc1cccc(Br)c1C#N)CCO2 1625877063 PKOZUQMXKVYVRL-MLZJXEJWSA-N 437.290 2.317 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c1 1625879005 JNNKKSFKAPKBGP-UHFFFAOYSA-N 430.383 2.379 30 10 IEEE N#CCCCOc1cccc(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1626144377 RGXLHMXOWYZKMQ-GOSISDBHSA-N 437.905 2.300 30 10 IEEE C#CCN(CC(=O)Nc1ccc(CCN2CCC(C(N)=O)CC2)cc1)C(=O)OC(C)(C)C 1626467593 XIWZYVPFKACPRS-UHFFFAOYSA-N 442.560 2.235 30 10 IEEE C#C[C@@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1636622868 MBWNHAUEBDUKEO-SFHVURJKSA-N 430.526 2.008 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1638126334 FIDYMIWXJODBTJ-UHFFFAOYSA-N 428.489 2.299 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1640156179 NGZHPSZNKMNICC-MRXNPFEDSA-N 445.321 2.183 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(Cc3nn[nH]n3)CC2)n(Cc2ccccc2)c1C 1644366556 WPQZRLDXGOGVLI-UHFFFAOYSA-N 432.532 2.431 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@@H]2NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 1647793207 JFHIWMGQKYTWSS-ACIOBRDBSA-N 438.551 2.269 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](C2CCOCC2)C2(CO)CCC2)CC1 1654811198 FMCYDJNXDWQIGZ-DENIHFKCSA-N 446.617 2.004 30 10 IEEE N#Cc1cccc(OCCN2CCN(c3ncc(I)cn3)CC2)c1 1655255345 BFAWBYGTNJDSLH-UHFFFAOYSA-N 435.269 2.154 30 10 IEEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1660342523 HIGJGWNGHPBLOV-YJBOKZPZSA-N 442.516 2.227 30 10 IEEE C#CCOc1ccc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1672951961 NPSYZSQIXYBWJH-YJBOKZPZSA-N 430.448 2.350 30 10 IEEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Br)cc1 1680153504 ZGVGNIXNTGMEQL-QGZVFWFLSA-N 440.363 2.379 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)c(Cl)c1 1682409869 KILAFXDKUAYBBR-UHFFFAOYSA-N 434.891 2.490 30 10 IEEE COc1ccc([C@H](Cc2ccccc2)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1682886209 LKFFXXZNXDHBEX-NRFANRHFSA-N 445.479 2.379 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCN(c3ncc(I)cn3)CC2)c1 1683155847 HBAFJDXXRLRTGF-UHFFFAOYSA-N 447.280 2.094 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 1684077689 IQAHHFLDLBXNGN-GOSISDBHSA-N 434.562 2.282 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1689908205 ZSLVRQHTBSNJOO-UHFFFAOYSA-N 425.493 2.065 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1689989952 KDAAXYBWATVKQR-KURKYZTESA-N 438.619 2.085 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCOCCN(C)C 1690008450 HIFQDLSUIDHBAI-UHFFFAOYSA-N 448.340 2.498 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1690077154 JVCQBQQGBUJAPI-QGZVFWFLSA-N 432.546 2.117 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)Oc2ccccc2F)CC1 1690109265 MEWVZELCUAJQBJ-SFHVURJKSA-N 442.539 2.168 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690165979 PPINVLOIVYROTE-KRWDZBQOSA-N 441.557 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690243224 ILQHQCZPUJVPPV-NEWSRXKRSA-N 448.593 2.063 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1690332611 GMWVPTZNEZDNMR-UHFFFAOYSA-N 435.912 2.010 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1690595239 RQMNRYOSUBPZFK-NSHDSACASA-N 425.299 2.346 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC(N)=O)CC2)cc1 1690677842 CALJSYSLXFQGTK-UHFFFAOYSA-N 440.548 2.121 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@H](COC)C2)cc1 1690678431 WBYOKNZIQGLARR-FXAWDEMLSA-N 443.548 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CCOCC2)C1 1690712113 NXWIIMHSGFBDON-HXUWFJFHSA-N 428.533 2.488 30 10 IEEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1691389702 MCOXXHZRXUFLGS-GOSISDBHSA-N 436.582 2.097 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1692747014 ARSLQXWUGGBHOG-CQSZACIVSA-N 447.492 2.378 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cs1 1693355631 SJHHBGZJUALFPT-OAQYLSRUSA-N 436.545 2.306 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC(C)C 1705482336 XCUSUIKEYUXQHV-OAHLLOKOSA-N 429.521 2.344 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CCC(O)CC1 1705578986 CQECGYWYRSKVCF-UHFFFAOYSA-N 442.567 2.361 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1705613129 VPYXCCIPRXAKEQ-OAQYLSRUSA-N 425.533 2.097 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)c2nccs2)CC1 1705635165 SHQNQZXCJTVCFU-PGRDOPGGSA-N 444.605 2.334 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760139 BDRRIQURUDAMEP-FXAWDEMLSA-N 427.977 2.228 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1705840835 DJMOZZYXMRDIOA-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCO2)C1 1705919931 NAKZLRPFEQEIAY-RBUKOAKNSA-N 444.557 2.475 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1705946383 GSGAWRURCZPPRF-MAUKXSAKSA-N 429.546 2.425 30 10 IEEE CC(C)OCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706699332 JKIUOSADXIVJDD-UHFFFAOYSA-N 433.520 2.143 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1706950371 JUGKVHHOIFPKKR-LJQANCHMSA-N 438.532 2.103 30 10 IEEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)C#N)s1 1707560489 DBXORPRNEXFQAM-DZGCQCFKSA-N 438.579 2.074 30 10 IEEE CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1708522216 WHKGUTMPGXEVJT-ZWKOTPCHSA-N 439.564 2.437 30 10 IEEE CCc1nnc(N2CCC(c3nccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709081303 VILFTBBSAGESDZ-ISLYRVAYSA-N 427.534 2.207 30 10 IEEE CCC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1709471204 CMCQQAKDZSDPIV-IERDGZPVSA-N 431.562 2.239 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1709656535 OLSGNAUMBXFFFC-MRXNPFEDSA-N 434.504 2.381 30 10 IEEE COCC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1712204312 UEEOCUUTYDUMRM-INIZCTEOSA-N 447.486 2.319 30 10 IEEE COCCN(C)CCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1712427121 FCUZSAKGKUWDBB-UHFFFAOYSA-N 443.571 2.491 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)CCN1C1CC1 1712886221 MJJNYTWLVCGYCY-CHWSQXEVSA-N 431.285 2.294 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1722283042 GUAHNGFYWIJCKQ-PKOBYXMFSA-N 425.533 2.399 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722334994 KCHWTOYDIKDHOR-SFHVURJKSA-N 433.603 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCc2nccn2C1 1722377296 VYXOWUBCKJPVCC-SFHVURJKSA-N 430.512 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCCC1 1722393056 PXUWJWCEVRNIPG-HXUWFJFHSA-N 443.559 2.116 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722454259 KUMSRTVRLMZQJI-AEFFLSMTSA-N 444.513 2.443 30 10 IEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CCOC)CC1 1722462166 KCKVKAAZNFQUQW-UHFFFAOYSA-N 438.601 2.485 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722559032 INJXXHPSAKMLET-WMZOPIPTSA-N 446.939 2.112 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC(=O)NC)CC1 1722694585 AHNFZYFLMJWEQZ-UHFFFAOYSA-N 447.543 2.148 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(C)c(OC)c1 1730878463 VONFQCDRSLDJEJ-HKUYNNGSSA-N 429.521 2.291 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCSCC(F)(F)F 1730957489 XIUUSLOSYNVAPM-MJBXVCDLSA-N 435.472 2.026 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740578337 HRGHJOXXKNSDDX-JOCHJYFZSA-N 433.553 2.401 30 10 IEEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740579700 VJOALHJKLXIWCR-AWRGLXIESA-N 445.608 2.279 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1740616068 RMWDJWYUYZAIJT-VDNWNZSNSA-N 434.606 2.144 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1740762014 QRJKEGIVPBCNIO-NCOADZHNSA-N 426.608 2.103 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1740774208 ONTCZAMCHREOMO-LJQANCHMSA-N 449.577 2.092 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1740796708 CVJUWJHWQNBPJZ-JOCHJYFZSA-N 443.573 2.145 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ncccc1N(C)C 1740940367 CQMVVJLZMMPOPV-UHFFFAOYSA-N 439.520 2.154 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740968668 DFPUVFMGJKRVJI-GOSISDBHSA-N 431.562 2.287 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2oc(CCC)nc2C)C1 1740983459 JFGZVXTZXHQXCI-QGZVFWFLSA-N 428.537 2.479 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2N(C)CCCC2(C)C)C1 1740983971 TZJRAASTRYIVOJ-RTBURBONSA-N 430.597 2.302 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1741000027 LDEYXUGEYPBBKM-OAHLLOKOSA-N 426.546 2.336 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1741649461 MRPBUAHABQJREG-SFHVURJKSA-N 435.532 2.209 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748810602 YEAWBGCGHLEQTO-PXNSSMCTSA-N 444.557 2.005 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748810639 YYJRUMFAAAKROV-FQEVSTJZSA-N 441.601 2.365 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1748984576 VJDOGTRFGLNZJN-UHFFFAOYSA-N 439.564 2.352 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccnc2)CC1 1749017107 WOGUHOPIJIVLDT-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NC(C)C)CC1 1749303787 PGJZLSBELFBKBR-KRWDZBQOSA-N 448.568 2.268 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC)CC1 1749352352 MRUCUVZIWGKLDN-IAGOWNOFSA-N 425.599 2.148 30 10 IEEE C=CCNC(=O)Cn1c(N(C)CCC(F)F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682594 WEBJHOPRIZCMHE-OKILXGFUSA-N 442.511 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749731033 ZJCSITZEEZNAIH-IBGZPJMESA-N 441.561 2.324 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1749772055 DDUVIAGYUBGUAF-UHFFFAOYSA-N 425.581 2.173 30 10 IEEE CC(C)(C)c1nccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)n1 1750132404 KXUIVDRTJXOQTF-AOMKIAJQSA-N 440.527 2.391 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCOCC(F)F)cc1 1750381948 LRXCWCIMQDGLIT-SJORKVTESA-N 430.459 2.203 30 10 IEEE N#CC1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750385506 PLZPIEUMSFMRRC-XUTLUUPISA-N 435.463 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCCC 1760198901 PSJUBNOBBOIHRD-UHFFFAOYSA-N 432.297 2.446 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1760285026 XORJBYRJSFHIGO-JOCHJYFZSA-N 428.558 2.240 30 10 IEEE C#CCSCCn1c(N(CC#C)CC#C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286055 AHQHJTPAWNOBJW-HDICACEKSA-N 427.574 2.488 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760303237 HNURMZDIFIZQSH-LJQANCHMSA-N 427.306 2.442 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1760318312 FMDIKFVBGSAFPU-WOJBJXKFSA-N 435.532 2.259 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1760329800 KXEHXDAHUGYSHP-HXUWFJFHSA-N 426.583 2.157 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C 1760692779 DMGVNUSTAYWNED-INIZCTEOSA-N 447.584 2.467 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1761282004 AKWBMUAAMDDGFM-UZUQRXQVSA-N 444.580 2.363 30 10 IEEE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N1CCCC1 1764253890 AUSZLJSWHLRVOE-RTBURBONSA-N 434.610 2.185 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1765008526 YLCMPMNBZNOXMG-KRWDZBQOSA-N 425.537 2.082 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1765476642 DMIIJUOGRAROIK-LHSJRXKWSA-N 445.499 2.000 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1770057076 HDIPDNVVUXSXKP-NRFANRHFSA-N 446.577 2.412 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 1772887188 DKTRLUXOWAUYCF-UHFFFAOYSA-N 427.534 2.111 30 10 IEEE C=CCN(C(=O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1)[C@H]1CCN(C)C1=O 1850564243 PUWLSGROWHZQOH-ROUUACIJSA-N 441.450 2.204 30 10 IEEE N#Cc1ccc(NC(=O)NCCN2CCN(Cc3cnnn3-c3ccccc3)CC2)cc1 1851121227 OYBQPPYOUVKKKU-UHFFFAOYSA-N 430.516 2.078 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(Br)n1 1851578169 QFVAGVAYUURVLR-NSHDSACASA-N 443.257 2.479 30 10 IEEE Cc1ccc(S(=O)(=O)C[C@H](COc2ccccc2C#N)OCCN2CCOCC2)cc1 1851842833 CSWWGPAIWRXQKT-NRFANRHFSA-N 444.553 2.437 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)ccc1O 1862634328 WKEGEQJIJHPCGN-FQEVSTJZSA-N 441.436 2.480 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871534245 ALHOEIUXUBECHN-UHFFFAOYSA-N 447.547 2.295 30 10 IEEE COc1cc(N2C(=O)N[C@H](CCC(=O)Nc3ccccc3C#N)C2=O)cc(OC)c1OC 1873869084 DTOGICVBJRHGLW-MRXNPFEDSA-N 438.440 2.428 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)ccc1OC 1874501284 ZOLPHOAQCWMKKZ-LSHDLFTRSA-N 445.501 2.325 30 10 IEEE C#C[C@H]1CC12CCN(C(=O)C1CN(c3nc4ccc(S(C)(=O)=O)cc4s3)C1)CC2 1891000719 ZDELFZVZRROELK-HNNXBMFYSA-N 429.567 2.398 30 10 IEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)C2)c1 1891355654 QRSUSOOZCHEUJZ-IBGZPJMESA-N 429.480 2.495 30 10 IEEE N#Cc1cccnc1OC1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1 1891509457 LQEKJWVMIRYZJU-UHFFFAOYSA-N 426.423 2.373 30 10 IEEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC(COc4ncccc4C#N)CC3)cc12 1891653421 BPNNLINJMUKYTG-UHFFFAOYSA-N 426.502 2.023 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2csc3ncnn23)[C@H]1c1ccc(C#N)cc1 1892145558 ZLTUZMFHMLUOCM-QZTJIDSGSA-N 440.554 2.372 30 10 IEEE C#CCOCCOCCN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1988552788 WDDOWNKKCKRMQO-UHFFFAOYSA-N 429.558 2.004 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2006227754 GSCULSNTZZCAHZ-GFCCVEGCSA-N 427.361 2.229 30 10 IEEE Nc1cc(Br)cc(Br)c1S(=O)(=O)NCC#CBr 2021165488 WUZMDYPVCQMRCV-UHFFFAOYSA-N 446.946 2.428 30 10 IEEE C#CCN1CC[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 2139348029 QUFDHWICRIEZOV-NSHDSACASA-N 433.087 2.491 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212241051 WCPXXHITHMZFIO-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2224121091 OXKMHGLPFCNZMV-QGZVFWFLSA-N 433.358 2.241 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247903016 ZLFCCBSPCSPFFH-ZSHCYNCHSA-N 442.387 2.301 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCOC1 2250667738 AEZSFAFDFZAFEI-UXHICEINSA-N 428.533 2.249 30 10 IEEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255630401 JVDZLSAXDFAKRQ-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255696775 YSSIIEQALKZEKV-HOCLYGCPSA-N 433.358 2.310 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1CC(NC(=O)OC(C)(C)C)C1 2255700125 YBIXOTPVHBRHEN-UHFFFAOYSA-N 433.358 2.452 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255830563 IAAQMJMZFBXODZ-UONOGXRCSA-N 434.346 2.227 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266990268 PFYRICXBAFLEBD-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)OC1(C)C 2267096185 IFWPYZSPDIZYGX-UHFFFAOYSA-N 438.215 2.140 30 10 IEEE CON(C(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267124036 YMTFHRQRCCXFBW-UHFFFAOYSA-N 447.341 2.312 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126494 LUFUFQGOBVXJBS-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267142050 OWCXMUHKDMRCMF-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267155397 SPTLNYSDHAXLJZ-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267195953 ZRFGEYUGJLEOSS-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3ccc(N)c(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2267841553 QCYOSEZCQITKCO-MOPGFXCFSA-N 445.369 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268704873 CHTDLPBYQYTXTO-HOCLYGCPSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268793112 XGEBHAYGKMVSEH-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE N#CCCN(c1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286032963 MKPUUGVOQDYKDM-GOSISDBHSA-N 431.470 2.116 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322257293 SOGHHFXGVCKNPA-CZUORRHYSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322310227 CEUGOLQODOPYTB-NRFANRHFSA-N 437.321 2.304 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(C)cc2)[C@@H](C#N)C(=O)N3)CC1 72444750 WEWJEOQZYCJENC-SJORKVTESA-N 435.484 2.082 30 10 IEEE CC1(C)CC(=O)CC(=NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 254814792 OHEBXUKAILOYAC-UHFFFAOYSA-N 438.575 2.129 30 10 IEEE CCN1CC[C@H](NS(=O)(=O)N(CCC#N)CCOC)[C@@H]1c1ccc(Cl)c(F)c1 409481807 BTXCAKRNOQMHMI-ROUUACIJSA-N 432.949 2.311 30 10 IEEE N#Cc1cc(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)ccc1C(F)(F)F 410135813 OQPJYIZAEWLNLS-HNNXBMFYSA-N 445.463 2.369 30 10 IEEE COc1cc(CC2CN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)cc(OC)c1 443618996 PFQIBPAQUQVJIQ-UHFFFAOYSA-N 443.525 2.129 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(C(=O)c2ccc(F)cc2)CC1 460563915 KWIUHIKCZJIIPJ-IBGZPJMESA-N 429.496 2.434 30 10 IEEE COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 465390133 SMSQPWRXAQTXHI-WOJBJXKFSA-N 432.542 2.443 30 10 IEEE CCOC(=O)C1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 471178076 QDQAMIOKWPIGPW-UHFFFAOYSA-N 442.491 2.433 30 10 IEEE CN(C)c1cccc(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 471484413 JBVMJCLVONHOPI-UHFFFAOYSA-N 442.520 2.442 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 471659527 QUJYSKNJIXNVJU-UHFFFAOYSA-N 427.313 2.350 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 500727982 CYOHEEBPBFVCOI-UHFFFAOYSA-N 440.525 2.211 30 10 IEEE Cc1nn(C)c(C)c1-c1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)n[nH]1 503734135 JPIXBTFDEXZIIE-SFHVURJKSA-N 435.513 2.453 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508912970 NQTGGUJLVRCSTQ-LJQANCHMSA-N 443.515 2.144 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nccn(C)c2=O)CC1 508915378 XFWCZIQHWQUSFZ-UHFFFAOYSA-N 429.887 2.344 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 514753044 BVTMHXBHTKCXFL-VGSWGCGISA-N 448.589 2.224 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1-c1ccccc1C 520064466 JMNZRNSLQPCXDI-UHFFFAOYSA-N 433.533 2.244 30 10 IEEE Cn1c(=O)c2ccc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)nc2n(C)c1=O 539097718 OQOJENUYIXYUJC-UHFFFAOYSA-N 425.448 2.101 30 10 IEEE COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)ccc1C 539503468 WWDUYZZXSPNITD-AWEZNQCLSA-N 440.485 2.467 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3cccc(C#N)n3)CC2)c([N+](=O)[O-])c1 544849688 SWFQIMJXTPYOHE-UHFFFAOYSA-N 444.517 2.219 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCOC2)CC1 581382949 MEYKAGFYEMFHPG-KRWDZBQOSA-N 444.967 2.059 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)n(-c2ccc(C#N)cc2)n1 585760482 UFBBMIBFHBEOTE-KRWDZBQOSA-N 441.557 2.306 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC3(c4noc(C(F)F)n4)CCC3)C2=O)cc1 589924820 ZMUNYYCJQVLZLR-AWEZNQCLSA-N 430.415 2.358 30 10 IEEE CCn1c(O)nnc1C1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 590174822 LICXLVAQAZYPJZ-UHFFFAOYSA-N 429.424 2.462 30 10 IEEE Cc1cc(N2CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CC2)n2ncnc2n1 604094322 GRGJBEIQISRDMB-UHFFFAOYSA-N 436.545 2.066 30 10 IEEE COc1ccc(CN2CCN(Cc3ccc(OC)c(C#N)c3)[C@@H](C(=O)N(C)C)C2)cc1C#N 610995112 IQKLAJUUBVAPPG-JOCHJYFZSA-N 447.539 2.222 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)CCN1C1CC1 732706465 KMXLIPIYPYXTKA-HNNXBMFYSA-N 432.406 2.028 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 747870169 RSJYFGDODAYWPK-UHFFFAOYSA-N 447.948 2.256 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 758146906 BZWROYVDEGGFHK-QGZVFWFLSA-N 425.555 2.073 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1 759163335 BWWHBHFKWYRKCG-XDOYNYLZSA-N 448.570 2.293 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C)c(C)c2)C1 760296941 SFOMDXVZTCNXQK-SJORKVTESA-N 431.562 2.175 30 10 IEEE C#CCN(C(=O)NC[C@H](C)Oc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 774241429 MHBVAIKDJVYTHZ-DZGCQCFKSA-N 429.336 2.048 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)cc1 775511421 APRAQPZMWQHUOG-JKSUJKDBSA-N 438.550 2.482 30 10 IEEE COC1(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)CCC1 779746280 XSXTZJFKRMEKII-KRWDZBQOSA-N 436.553 2.394 30 10 IEEE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 787057338 VJZNZEHHMQXZLN-RTWAWAEBSA-N 434.452 2.456 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)[C@@H](C#N)c3nccc4ccccc34)cnc21 792097109 UEIATADFUUYIAZ-CYBMUJFWSA-N 437.257 2.317 30 10 IEEE C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 795181300 AJRWEOLJDYTYBF-UHOFOFEASA-N 438.513 2.334 30 10 IEEE COc1cccc(NC(=S)NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 807948081 UVYXVAGCEMRZFB-UHFFFAOYSA-N 443.348 2.426 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 810807174 IVWVGDKREJILSZ-OPAMFIHVSA-N 449.573 2.221 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 812186186 MTJRTMUQDVGYMV-ROUUACIJSA-N 448.568 2.268 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)c1ccc(F)cc1 812933734 LJZWSPBTDKMOCS-FQEVSTJZSA-N 436.553 2.337 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C)C1CC1 814702492 SMQVXBNEYCENTE-RBUKOAKNSA-N 432.590 2.419 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCN(C(=O)C(C)C)CC2)C1=O 917702840 WGHHCDQTMYZNJN-GOSISDBHSA-N 441.557 2.273 30 10 IEEE CCOC(=O)c1c(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)c(C#N)cn1CCOC 1125070233 HKYWYGBIYSEQQH-UHFFFAOYSA-N 447.513 2.158 30 10 IEEE CCCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1125175357 BPHLNDNQSGLWHH-UZYVYHOESA-N 443.591 2.433 30 10 IEEE O=C(CCOCC(F)(F)C(F)F)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1134923303 LSZPSXFNARUVJJ-BXKDBHETSA-N 429.354 2.262 30 10 IEEE CC[C@H](CO)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1137644299 OHYNPJUVJYPZFR-CTNGQTDRSA-N 442.560 2.308 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21 1141593302 FOSBDNTXRVCDNX-SBUREZEXSA-N 436.508 2.431 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H](c2cncn2C)N(C)C)cc1 1141966551 FUSGLUNTKCWRMA-FIPQWBAWSA-N 446.577 2.255 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc([N+](=O)[O-])c(F)cc1F 1143376434 DXFUHELEGYAPSQ-UHFFFAOYSA-N 438.412 2.008 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC(=O)N2C(C)(C)C)cn1 1158225608 XMBNECYMBPJSPL-KDOFPFPSSA-N 426.546 2.208 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(-c4nncnn4)cc3)C2)C1 1164459878 NATRXRISLUWDMC-FRIYVGAWSA-N 449.515 2.337 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC(F)(F)OC(F)(F)C1 1178276684 CCIIPRGHZVPVOG-RGOKHQFPSA-N 432.292 2.016 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)C1 1225936122 DBXXFXALWMDFMC-KSZLIROESA-N 426.521 2.335 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1253673551 MIUBOPDYOGDSHN-HXUWFJFHSA-N 438.601 2.268 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CCCCC1 1286451805 BMSXRDMPLFBGJQ-SFTDATJTSA-N 445.608 2.497 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1286527498 DKDJPYVMXVCMKQ-YADARESESA-N 434.544 2.434 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1286606669 XIQXLNJAFCBKLA-WOJBJXKFSA-N 436.516 2.271 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286789358 FJRYSKFRTXRGSA-LJQANCHMSA-N 430.597 2.302 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1288519939 QLQZTXCYCJDKFF-IAGOWNOFSA-N 447.561 2.393 30 10 IEEE C[C@@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1288897652 ACRQCASJGKQJNO-PGRDOPGGSA-N 443.573 2.218 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1289030797 JUBOPBPVLNEIEY-INIZCTEOSA-N 439.545 2.137 30 10 IEEE N#CCC1(O)CN(C(=O)c2csc(I)c2Br)C1 1296599689 BVQVNEYPIOXZRJ-UHFFFAOYSA-N 427.061 2.216 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1297695522 HUXNKWZQYICWLG-DNVCBOLYSA-N 429.546 2.255 30 10 IEEE CN(Cc1ccccn1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298372632 DVJGBLBIQYZDAB-BWVDKLOVSA-N 437.504 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300298639 FNIJTXPETAJXRX-PMACEKPBSA-N 430.560 2.404 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H](C(F)F)N1CCOCC1 1300448670 BMNHLBVYDVPETA-QGZVFWFLSA-N 447.486 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](OC)C(F)(F)F 1300559509 RGAVJOVKMIMEEY-LPHOPBHVSA-N 428.455 2.361 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1300648989 RPWZJKRGTHEFNG-MJGOQNOKSA-N 425.508 2.476 30 10 IEEE C=C(Br)Cn1c(CC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300850989 HUDIOTIQAKWNJG-UHFFFAOYSA-N 447.381 2.188 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc(C)no2)CC1 1300862680 CEIUUDAUHDOCHM-MSOLQXFVSA-N 443.552 2.473 30 10 IEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1301252882 SJVPOTLUXDXQEZ-LJQANCHMSA-N 432.569 2.497 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)(C)C 1301293727 HMYMRLHNLNLQOL-UHFFFAOYSA-N 426.569 2.237 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC[C@H]1COCCO1 1301342259 ZXUMPCMZNRGGCU-FQEVSTJZSA-N 438.532 2.286 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1301520881 RWPGYWLLSJHAKD-IRXDYDNUSA-N 448.568 2.125 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1302055301 WMLYJMSGJGRZAF-ZWCUEREDSA-N 432.569 2.391 30 10 IEEE CC(C)C(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1302432935 ANLAAHOUOGKZSR-IRXDYDNUSA-N 444.511 2.448 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1303778179 VBFSPMGVRLHKED-GOEBONIOSA-N 433.509 2.378 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(=O)N(C)C)c1 1306153467 LJBKMAFYFDQQSD-UHFFFAOYSA-N 431.500 2.126 30 10 IEEE CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)cn1 1313845984 DXPWEYHVVVFDKC-GOSISDBHSA-N 433.582 2.211 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2n[nH]c(C)n2)c2ccccc2c1=O 1313958400 BPPLHMQSZMAMPI-AWEZNQCLSA-N 446.519 2.083 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1 1314870776 DVTLJTRVRYHPAD-UHFFFAOYSA-N 434.548 2.146 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(Br)n(C)n2)c1 1350733388 DJTGHGAQGKEUAF-HKWRFOASSA-N 440.323 2.248 30 10 IEEE C#CCO[C@@H](C)C(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1353387543 UPXQHRCMXWXPTQ-INIZCTEOSA-N 440.357 2.203 30 10 IEEE N#CC1(CC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CCOCC1 1355814755 VZTKLQZFOGGCLM-UHFFFAOYSA-N 448.527 2.017 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(CC)CC 1358940214 RHCJZGSODHZMKZ-MRXNPFEDSA-N 431.610 2.346 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1359039012 STEZUHDKMVGLRC-WJOKGBTCSA-N 447.580 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCCO2)CC1 1359042749 RZMCXOFKTCSVMR-NRFANRHFSA-N 437.544 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2csc([C@H](C)OC)n2)CC1 1359043977 PPTKQZSPKKLSFM-AWEZNQCLSA-N 428.562 2.334 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CC1 1359179163 NPDPEODLHAHPLU-MRXNPFEDSA-N 435.525 2.196 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359228443 CYLZWTHNBXVCIF-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2)C1 1359294565 XVSGMMLMCYFZRS-IBGZPJMESA-N 439.520 2.220 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359302132 XNBAVLXLBXKREP-HKARXFIJSA-N 443.523 2.083 30 10 IEEE COc1cc(N2C[C@H](C(=O)N(C)c3snc(C)c3C#N)CC2=O)cc(OC)c1OC 1436642637 FKRSSRHLHSVYCF-GFCCVEGCSA-N 430.486 2.365 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1OCCc2ccccc21 1456285478 SZYPOMWFKDWSKR-LJQANCHMSA-N 427.526 2.326 30 10 IEEE O=C1C[C@H](c2ccccc2)N(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)N1 1457456637 WDOYKTPJZIIELO-GOSISDBHSA-N 440.525 2.290 30 10 IEEE CO[C@@H](C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1465600186 UZCRWHBRXHJCTD-SFHVURJKSA-N 427.505 2.040 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 1467705292 AIDUOHALLNOZQE-VAMGGRTRSA-N 441.528 2.302 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCn2ncc(Br)c2C1 1475498159 IFBGTBGWVNPENX-UHFFFAOYSA-N 446.124 2.484 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)CCO2)cc1 1478389394 SIDWNWDGGHOXHP-OAQYLSRUSA-N 440.525 2.381 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCCNC(C)=O 1499151706 CDPZWCOXFAQXJD-UHFFFAOYSA-N 432.532 2.113 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1501550250 IHMSHVHPMONVGC-RBUKOAKNSA-N 427.530 2.175 30 10 IEEE CCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503204012 JOAIMMSCUVTSPU-SFHVURJKSA-N 426.521 2.175 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1503701442 AEMIBTQOEBAIRM-APWZRJJASA-N 440.548 2.362 30 10 IEEE CO[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOC1 1504054034 HSHSQAOSSBCHDD-QHCPKHFHSA-N 439.564 2.265 30 10 IEEE COc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1504314639 WPBXZFFCYXPUJJ-NRFANRHFSA-N 430.484 2.336 30 10 IEEE COCCCOc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1504835863 NKSYQDZEZXYOHJ-CTNGQTDRSA-N 441.532 2.364 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nnc2n1CCCCC2 1504965994 QLGCBMXYBIBPFE-IIBYNOLFSA-N 446.531 2.005 30 10 IEEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505261063 KDYSTHLOYVYOJL-KRWDZBQOSA-N 443.552 2.320 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC=CO1 1507521662 PBTINOUBJJEPSZ-FUHWJXTLSA-N 429.546 2.346 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507577529 RYWVKVTVWDADOX-JOCHJYFZSA-N 425.489 2.407 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C(C)C)N1CCOCC1 1507609592 BFHOKYJLNZSKIW-LJQANCHMSA-N 427.549 2.389 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1507613242 ZJTDIBIBDCXYRV-OALUTQOASA-N 446.596 2.183 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCCN1CCN(c2ccncc2)CC1 1507691887 JGQLJGDUJMGIEB-UHFFFAOYSA-N 444.587 2.331 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc(CO)nn1 1507765118 YIQMEEPONIYYCQ-OAQYLSRUSA-N 436.476 2.020 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(N)=O)CC1 1508154553 BFAWHDXHMXQSSD-UHFFFAOYSA-N 432.550 2.017 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1508463190 AHQNWVRJFMXFKC-MRXNPFEDSA-N 448.474 2.438 30 10 IEEE CC(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1509344028 IRYBASSRJIZWIW-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COCCO1 1510271640 QZQBBMVZZKSOOA-OLMNPRSZSA-N 433.896 2.216 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)CN2CCOCC2)CCOC1 1516178104 BSIBYAAYVGMTJI-XXBNENTESA-N 446.596 2.029 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1518971337 DOYHYXAXYFEBPV-HRAATJIYSA-N 431.562 2.458 30 10 IEEE COCCCN(c1nnc(CC(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1519057667 HBXTZNDGNPNJCT-MRXNPFEDSA-N 435.550 2.020 30 10 IEEE N#Cc1ccc(OCC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1Br 1525487054 GLMNUAJECDJHJF-DLBZAZTESA-N 428.286 2.427 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)c1 1527625158 IRQHPRXQLZNKMD-OAHLLOKOSA-N 437.500 2.372 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539230857 MBVMDQUOTNAPHH-WOJBJXKFSA-N 443.573 2.093 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1C 1539350764 YFPIHVNMMLKBJH-PKOBYXMFSA-N 445.589 2.328 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1539498645 YCVBVSPPCJZANW-QZTJIDSGSA-N 444.513 2.443 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 1539562065 CTHVKGUAMLPFML-UHFFFAOYSA-N 446.305 2.043 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1539612522 MVYQQUQFSXHKMJ-SJLPKXTDSA-N 426.521 2.061 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1540069410 OQIKVTBDKFCOAJ-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1540164928 YMFIFSCAHCENSP-QHCPKHFHSA-N 436.516 2.176 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CC(c3ccccn3)=NO2)nn(-c2ccc(F)cc2)c1N 1540832025 DBXXXRHEFYDEBD-FQEVSTJZSA-N 433.447 2.102 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2(=O)=O)C1 1540893373 BJGSDTQKEAWHEO-RTBURBONSA-N 431.562 2.013 30 10 IEEE CC(C)CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1541589041 KZCCNZZDHFILPT-YOEHRIQHSA-N 432.591 2.110 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1541714235 QUJFQGILAKJBEO-UZLBHIALSA-N 439.582 2.024 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1547434374 FESRCCJGKGYSIS-UYAOXDASSA-N 438.580 2.453 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)C1 1565346845 YWYPVIPOWINVDZ-DLBZAZTESA-N 428.562 2.284 30 10 IEEE C[C@@H]1CN=C(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)S1 1565741435 DQIBFQDSLITRHR-GKVAYGERSA-N 447.605 2.409 30 10 IEEE C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)n1cc(Br)cn1 1568507864 HKHPHPLJAFNFRG-DYVFJYSZSA-N 430.306 2.386 30 10 IEEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 1583526961 SBPXNVKSNPHHAP-MGPUTAFESA-N 439.871 2.260 30 10 IEEE CC(C)OC(=O)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1584952510 UUEVHVYUGSOHDE-ZWKOTPCHSA-N 428.489 2.246 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1587861130 HACRSGDUXIDDJU-HKUYNNGSSA-N 432.521 2.311 30 10 IEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1588050829 VQYVPUKNPXQLBW-SJORKVTESA-N 441.557 2.098 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1588069888 UPODTHKQVPSWAV-QGZVFWFLSA-N 434.949 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1589186277 WJVDIAMNXKBXEV-DNQXCXABSA-N 439.560 2.411 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC=CCO1 1595108590 DHRURBKNMHMZMZ-PKOBYXMFSA-N 431.562 2.426 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCOC1 1595516818 JVAUURVLFVTMSH-CQSZACIVSA-N 434.338 2.483 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@H]2C)C1 1595753273 GGKCHFBIQYSZMW-MOPGFXCFSA-N 445.539 2.498 30 10 IEEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 1595937118 BQXWRIQXSOCHFH-QGZVFWFLSA-N 431.539 2.100 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1c[nH]cc(I)c1=O 1596324755 XIYLKMNITRHMBT-UHFFFAOYSA-N 439.257 2.278 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCS1(=O)=O 1596840057 AWFPKKJJNLNFPR-SJLPKXTDSA-N 441.561 2.080 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)c1 1612247674 AYQDTURIBNJPFJ-VPTFNQTCSA-N 431.562 2.442 30 10 IEEE C[C@@H]1CN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1612873669 GYRVHCXBABKBHU-KZNAEPCWSA-N 431.585 2.140 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1620083217 UJRAMDUXMPUQRX-RMJJICAUSA-N 442.568 2.143 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CC(F)(F)CO2)c1 1620347988 IMCUXRBNOFOLRJ-KRWDZBQOSA-N 430.459 2.333 30 10 IEEE CCOc1ccc(-c2nc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)cc1 1626655569 HWWZYMMWJNBDQB-YWZLYKJASA-N 431.539 2.148 30 10 IEEE COCCN1CC[C@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1628163553 RASTZHLQNZNVHQ-AZUAARDMSA-N 428.533 2.229 30 10 IEEE C=C(C)CONC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1628314786 ZJGVKVYLNWGCBW-CQSZACIVSA-N 437.381 2.473 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1 1634456511 AQROFPXBHAMANH-UHFFFAOYSA-N 440.565 2.370 30 10 IEEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1F 1635814092 GFAMYLLTPQKPMG-OHUAYANFSA-N 430.299 2.229 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)s1 1640270596 GEVJETQOEJFWNY-YPMHNXCESA-N 426.482 2.371 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CC[C@@](O)(CC#N)C3)c2)c1 1643608975 CYHODTGFSFKRRP-QFIPXVFZSA-N 425.441 2.152 30 10 IEEE N#CC[C@@]1(O)CCN(C(=O)Cc2ccc(I)c(Br)c2)C1 1643612581 LIQKUJNBUAROBO-CQSZACIVSA-N 449.086 2.473 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1645990673 AJBSUUXKAOMJLJ-MGPUTAFESA-N 426.454 2.349 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC[C@H]3CCOC3)nnc12 1648783801 CNEQMRDEAHHSDY-HNNXBMFYSA-N 427.530 2.255 30 10 IEEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1649200893 ISZYOWQBBHPMMH-FQEVSTJZSA-N 445.401 2.373 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3nnc4n3C[C@H](C(F)(F)F)CC4)cc2C1=O 1649376510 ORACDUWHTANDIJ-CYBMUJFWSA-N 447.417 2.457 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1649557033 DUSBIVKDYGGTDK-RCCFBDPRSA-N 439.564 2.016 30 10 IEEE COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCCCCC1 1652402374 RFXKOTMJKOPNLE-LJQANCHMSA-N 435.546 2.368 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(C(C)(C)C)cc2)c1=O 1656778856 MWJIHQOJKJNTAK-UHFFFAOYSA-N 425.485 2.404 30 10 IEEE C#C[C@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1665102505 YTYVCYWPMWXOQV-JOCHJYFZSA-N 449.621 2.392 30 10 IEEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1667599150 XCSZXLYBSAJADG-QGZVFWFLSA-N 436.578 2.213 30 10 IEEE C#CCCCCNC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1670480769 XQVWWLROJQUOCB-OALUTQOASA-N 447.580 2.367 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1689913735 UKMVLIXGIWSXTQ-RBUKOAKNSA-N 444.605 2.012 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCS(=O)(=O)C1 1690013251 HREIXLPHYBFKFW-GOSISDBHSA-N 449.536 2.498 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1690077277 LTKPJECFMUVKLE-PKOBYXMFSA-N 433.553 2.082 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOCCc2ccccc2)CC1 1690120515 XLNMKQBSHMZTEF-UHFFFAOYSA-N 431.544 2.140 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(CC)C1 1690236120 INGBUYVZLRBGFU-PDOICOKGSA-N 425.599 2.496 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(N)=O)C1 1690251641 XLUQUBAJNIEMKF-DXIQSLLYSA-N 439.560 2.365 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690308784 ZPVKWOQJAKTHOR-GOSISDBHSA-N 435.536 2.223 30 10 IEEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCNS(=O)(=O)c2ccccc2)CC1 1690379721 XMDINTKKYMCQFC-UHFFFAOYSA-N 438.557 2.399 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1690491951 KXVWGPMZEZVCMK-UHFFFAOYSA-N 437.591 2.249 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690492209 QCJSWBYXYQNOGV-INIZCTEOSA-N 428.562 2.437 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O 1690525674 NHOZZVXNZXWVRH-JOCHJYFZSA-N 432.569 2.493 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1690619880 HKYALWZKXLIZDW-QGZVFWFLSA-N 446.577 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690664348 PSXFVYAJFSZBFG-HOTGVXAUSA-N 433.578 2.068 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690667658 CKFFXQQLGRJLJA-UHFFFAOYSA-N 444.421 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC=C(Br)C1 1690722250 BZGNDIRSHAYVLX-UHFFFAOYSA-N 426.340 2.363 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@H]1CCOC1 1691811396 NKCQYAIVRZXVLV-MRXNPFEDSA-N 426.521 2.380 30 10 IEEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1692420591 CSFAKSMWJQYBAG-CEXWTWQISA-N 436.626 2.144 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1695661474 ABQNPBMZKSDQHV-YLJYHZDGSA-N 436.564 2.103 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1695772126 OIZWTKXFGGAMQI-UHFFFAOYSA-N 447.492 2.380 30 10 IEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1)S(C)(=O)=O 1696754290 RJOQELUQLNFEKS-NZSAHSFTSA-N 446.552 2.455 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1705546354 JCZQELDIWPVUIS-XMMPIXPASA-N 437.544 2.170 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccccc1 1705552020 HTGHWMMVCIOEFB-XMMPIXPASA-N 431.544 2.429 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCO[C@H]1C 1705575065 WXMOHVXJMQUSHO-MGPUTAFESA-N 429.318 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1OCCC1(C)C 1705580672 NYJSJUMMSVXWGE-SFHVURJKSA-N 440.573 2.126 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC 1705603265 PYTSCIXSJIJJNT-PKOBYXMFSA-N 445.951 2.373 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1705666233 SRLAIMACFYEYBS-UHFFFAOYSA-N 434.587 2.075 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705686644 GKXFTSPVWWFZCZ-HNNXBMFYSA-N 436.358 2.328 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC1 1705694348 AMODVLNPJGDGCR-MJGOQNOKSA-N 432.546 2.166 30 10 IEEE C=C(Cn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccccc1 1705741973 FOGYIPLSCPOMJQ-UHFFFAOYSA-N 436.560 2.240 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)C1 1705916973 PIFBKOXMNONQQG-QRWLVFNGSA-N 434.566 2.174 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)c2ccccc2)C1 1705925459 PPNAAPBURUPDID-QUCCMNQESA-N 445.589 2.098 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC3(C2)OCCO3)CCOC1 1706068850 RRUHDNKAUICPMT-OPYAIIAOSA-N 433.553 2.458 30 10 IEEE CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N(C)C 1706367456 HSTACEHOSFAJAV-NRSPTQNISA-N 429.613 2.325 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)OCCCO2 1706603017 GZAIZEUZABVWGS-OAQYLSRUSA-N 428.468 2.068 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1710269430 WHFCULDWNOGWDG-CTNGQTDRSA-N 429.613 2.328 30 10 IEEE COc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)NCC(F)(F)F 1712000868 DZFAYMOGBXALIL-ZDUSSCGKSA-N 440.426 2.283 30 10 IEEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1712190024 DLIINXYIJPEPBY-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)on1 1722277945 KDENVVGXVSWIJD-ZDUSSCGKSA-N 427.534 2.349 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722373016 CYZKNFGDIISCPC-PZJWPPBQSA-N 439.585 2.174 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCCN1CCC[C@H]1CO 1722469271 XVABJNTUFSZDLU-TUACAJSNSA-N 445.608 2.159 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722482187 GAIKDGVTPSLCLQ-CQSZACIVSA-N 436.310 2.246 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722622788 UHCKHKBYSQKVMW-IYBDPMFKSA-N 438.326 2.200 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722693849 BTOMEWVBPTWBEW-UHFFFAOYSA-N 441.561 2.236 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](COC)C2)cc1 1722704303 GKNUEXWFVADVCH-LJQANCHMSA-N 425.533 2.486 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1722714914 KZCRQYNYTNDESO-FQEVSTJZSA-N 441.557 2.423 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1726636817 ZOCGUQAYSKEMJM-LLVKDONJSA-N 444.293 2.216 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCSCC1 1727595312 CXWSRCQWUMPYSS-UHFFFAOYSA-N 439.633 2.473 30 10 IEEE CCN1CCN(CCCCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728632742 XLFVPLKEGLXFFD-FQEVSTJZSA-N 443.621 2.077 30 10 IEEE CCOC1CC(O)(Cn2c([C@@H](C)CC)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1728937698 QYAWZNTYCXFDEJ-OYMFQORVSA-N 439.564 2.315 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1729220463 BJRZCJFPVIUUDY-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)C(C)(C)C 1729427883 BZQHRWMDJKMYFO-UHFFFAOYSA-N 441.561 2.400 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1729761936 CPTSTDQQDMLHMS-PMERELPUSA-N 427.530 2.117 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1729908256 SCJISGXQNJHRGY-YOEHRIQHSA-N 429.443 2.055 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)C 1740570794 JBEINZHHWOUEIE-UHFFFAOYSA-N 445.593 2.003 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(C)CN(C)C1=O 1740682057 IZFPIHDLTWMYDN-HXUWFJFHSA-N 446.349 2.272 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(CN2CCOCC2)c1 1740687852 MABHRBLDKYDWPA-JOCHJYFZSA-N 439.560 2.096 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCOCC1 1740892856 OOOCQCOSCLBUOZ-UHFFFAOYSA-N 448.593 2.100 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1740977289 FTPRJNNOHJRMRN-RTBURBONSA-N 431.562 2.150 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740993762 IBFGASQXNVLMBF-WIYYLYMNSA-N 438.594 2.156 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(C(N)=O)c2)CCOC1 1741124262 DTBADNKYDFVZMX-OPAMFIHVSA-N 426.521 2.062 30 10 IEEE CC(C)OCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1741749600 HSWKRGDBULNDBZ-BGYRXZFFSA-N 427.505 2.495 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(N)=O)c1 1741801431 CIZQNQNHJHFPOC-INIZCTEOSA-N 428.500 2.402 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCOC[C@H]1CCOC1 1742834718 PDRZRERACSGPTQ-LJQANCHMSA-N 428.512 2.367 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1745108345 LTWMCRMUYVZXJY-PLNGDYQASA-N 444.561 2.213 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1745854135 GXBRZIXBBSSYMQ-UHFFFAOYSA-N 432.550 2.042 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)c1 1748577931 ARDSXTQQDGIXOQ-HXUWFJFHSA-N 437.504 2.057 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748706126 AIJRHWJPHHDEPZ-UHFFFAOYSA-N 443.983 2.444 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1748760164 URZYWVOEPFZTLL-DEOSSOPVSA-N 434.544 2.443 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748811149 CHEMBWIVPWAWBI-QUCCMNQESA-N 447.605 2.362 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748816985 BVULAAXVINPZFE-SFHVURJKSA-N 446.573 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1749016914 PTKAIKQBMGPUGH-FYYLOGMGSA-N 448.571 2.211 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1749053859 MWRMKIMCMXSBCS-RADWXHQJSA-N 442.589 2.396 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749109509 OBMDJWSNHSWKIN-KGLIPLIRSA-N 437.298 2.162 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749426413 BHDWKSIYNROHJZ-QGZVFWFLSA-N 425.599 2.389 30 10 IEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749431202 ZUKYBYDCQSAKQM-SFHVURJKSA-N 425.537 2.306 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1749599542 GVWINCLBTNOQMH-GHTZIAJQSA-N 443.548 2.150 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)SC 1749965118 AOYBJVWOLLULIC-UONOGXRCSA-N 432.550 2.289 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCOC1 1750070344 SIONNUITJVADSN-JKSUJKDBSA-N 431.566 2.261 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@]3(O)CCC[C@@H]3C)CC2)c1C#N 1751827423 IEQBRXNGECMOKR-KSFYIVLOSA-N 426.569 2.193 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@@H]1CO 1760168779 PGEHLWADCVIOGR-LJQANCHMSA-N 425.533 2.023 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)COCCO1 1760211680 JXKILEBXHSXFQA-IBGZPJMESA-N 432.322 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1760216428 NERCPNJDGQVKKD-UHFFFAOYSA-N 441.470 2.237 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1760232955 GSFKYTPVINBJDM-MRXNPFEDSA-N 438.500 2.484 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ncccc2F)CC1 1760282304 ZRZSIIJHEPMTKK-KRWDZBQOSA-N 430.553 2.399 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760342453 CHJHDYILEGOEDS-QFIPXVFZSA-N 445.589 2.226 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 1760352842 ZFGSSLUFABFZAH-KSZLIROESA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1760525703 NXUOAFOEIIXHFK-NRFANRHFSA-N 432.528 2.014 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760525856 USVIGSATNOBYHD-IIBYNOLFSA-N 431.562 2.007 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1760530580 VWHJVNQLCQPKHE-MOPGFXCFSA-N 425.533 2.487 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760564732 GDJNDNJRUFXRJK-IBGZPJMESA-N 448.637 2.183 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CC1 1760610358 XPIXHXACEOUUBH-OAQYLSRUSA-N 438.532 2.071 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1760653704 FUTNFADJBQSIGA-LJQANCHMSA-N 449.559 2.215 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1761580799 HWOSEHAYCPDIOQ-QFIPXVFZSA-N 437.479 2.427 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1762225435 DNUNFKLJBRFPQW-SFHVURJKSA-N 429.569 2.195 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1766249439 GNEFDNQLWAAKRU-GOSISDBHSA-N 432.532 2.145 30 10 IEEE COC[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769424649 VMMFWVWKOXORKL-SLNYWTKHSA-N 436.516 2.334 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1770106841 LKKHGHWDUZPDEZ-IBGZPJMESA-N 440.548 2.221 30 10 IEEE COCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1770153995 YERGDTWQVBGQPN-OALUTQOASA-N 429.521 2.427 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1770734975 ACQLHEQCROEUPF-NVXWUHKLSA-N 447.465 2.013 30 10 IEEE COc1ccccc1OC[C@@H](O)CN1CC[N+]([O-])(CC(=O)Nc2c(C)cccc2C)CC1 1848438805 ZYRUUIZWBHDISU-FQEVSTJZSA-N 443.544 2.321 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1849406685 NESJKKKBLHVYNQ-OAQYLSRUSA-N 448.564 2.205 30 10 IEEE CCCN1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C(=O)C1 1854523627 MEEIKKIEBBIQPF-RTWAWAEBSA-N 428.558 2.033 30 10 IEEE CCS(=O)(=O)C1CN([C@H]2CCCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1854875083 FKGVPMMWTUQMLB-SFHVURJKSA-N 437.949 2.046 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1 1858439624 QEDQWDLRDSMYLA-UHFFFAOYSA-N 437.481 2.309 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(F)c(F)c2)CC1 1866867087 MMSTWSRNSVJDRA-ZWKOTPCHSA-N 448.495 2.419 30 10 IEEE CCCCN(CC)c1nc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1869984036 URUUBHNTYBPLJK-QGZVFWFLSA-N 430.534 2.388 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597291 SYTOQSBJSAHXCW-MRXNPFEDSA-N 428.537 2.228 30 10 IEEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619606 PZZBJVOYNOZTSP-UHFFFAOYSA-N 449.519 2.486 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2008784723 GESVRJVBNMBVJW-UHFFFAOYSA-N 430.379 2.495 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2010123316 AWTZLKMDIMPDTP-OWCLPIDISA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC(O)C1 2073247420 FJZBBGLFIPDDTC-UHFFFAOYSA-N 432.326 2.343 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CC(CO)C1 2073620210 SXEANVZRWDSYOD-ABNIXYTCSA-N 436.358 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141666798 BCCOFBKPWPXUKP-HZPDHXFCSA-N 447.341 2.392 30 10 IEEE COCCO[C@@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172781043 YJYJJWBDOYHKBX-CQSZACIVSA-N 427.148 2.385 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632819 RWNLPTJAWSDQID-OKILXGFUSA-N 434.346 2.179 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCN1C(=O)OC(C)(C)C 2255696949 BFMJEBSHSBPYPB-HOCLYGCPSA-N 433.358 2.452 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255829805 VTMFTRBXEFJMGS-QLPKVWCKSA-N 432.326 2.482 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837140 KHEVOXXJLIQASG-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255861380 BKLPCCCICJJGMZ-HNNXBMFYSA-N 437.321 2.249 30 10 IEEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2267173888 AZCVJMSJOVCMIR-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2267182690 IEYFVBCZNWPRPR-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1 2267504034 MIRUBZFBZHBFKQ-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE CC(C)[C@@H]1[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267515044 IQYPKEYGHOSPDA-HZPDHXFCSA-N 448.373 2.473 30 10 IEEE Cc1cc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267606461 XWQZOLGZHLCKIC-ZWKOTPCHSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267770752 WHBZLDAYDSRWOM-WBVHZDCISA-N 449.313 2.286 30 10 IEEE C=CC[C@]1(CN)CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2287789600 FATIOVNXCXSODG-LEWJYISDSA-N 437.537 2.100 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339578 FYYNRCQQHOMAFH-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339998 MKZWICACDQJZOU-STQMWFEESA-N 437.371 2.333 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2329322557 MFYDZFMCYUKVDV-UHFFFAOYSA-N 426.458 2.363 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337199422 VIMGRXKZXWJQLY-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE CC#CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)C(=O)OC(C)(C)C 2337906379 GJPHIQFNTUGCTM-UHFFFAOYSA-N 444.341 2.283 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1 20293069 OVSDGIBTDYLZNH-LSFURLLWSA-N 433.444 2.456 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1Cl 108400377 FZFDRDVFZSHMPN-UHFFFAOYSA-N 439.946 2.048 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CCc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 382586192 GKCIZHXQAWAQSO-UHFFFAOYSA-N 432.374 2.261 30 10 IEEE CC1(C)CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCS1(=O)=O 465157247 SAXHNXXTVOEXTH-UHFFFAOYSA-N 437.572 2.743 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)c1 465187299 UJGGESUETLTTHC-ZWKOTPCHSA-N 435.532 2.246 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CC1 467420735 SYEMUHOKCLQUND-INIZCTEOSA-N 446.504 2.019 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)CC2)c1C#N 472099753 KBMMSCVZCGABGS-UHFFFAOYSA-N 437.479 2.469 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 481283257 HZFRLSHGKZHNKR-AWEZNQCLSA-N 442.472 2.378 30 10 IEEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491659393 IUSUYDFIFMWDKD-UHFFFAOYSA-N 438.578 2.410 30 10 IEEE N#Cc1ccnc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 497765588 AEBBZQBJYJJFPI-UHFFFAOYSA-N 429.274 2.079 30 10 IEEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 502009022 VKBANODMYSTCPZ-INIZCTEOSA-N 429.498 2.082 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 507085097 JCPOXZQCSOJHPY-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE CC(C)CN(C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 507822848 JTGUJZXQOVMQRN-IBGZPJMESA-N 433.574 2.073 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 509197653 RDQTXJNUGZRCGJ-QGZVFWFLSA-N 427.549 2.199 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 520933336 YBZIXFNKFMXFKD-IBGZPJMESA-N 441.509 2.108 30 10 IEEE CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542961584 BWGCZZWNVZAKPH-UHFFFAOYSA-N 443.939 2.415 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 543712124 GVEDFXCDAYFIQI-VAMGGRTRSA-N 438.366 2.188 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(OCCN4CCCC4)cc3)CC2)n1 545469304 OTCIYMBWNAPIIA-UHFFFAOYSA-N 434.544 2.460 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2C[C@H]2CCCCO2)cc1 549647261 NBOJOXYVMGNKBX-HXUWFJFHSA-N 436.516 2.109 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2Cc2ccccc2)CCO1 558913454 LXNIFXQONYSXLQ-KRWDZBQOSA-N 437.529 2.015 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 564127939 SKVAEXNVFUVCFW-UHFFFAOYSA-N 444.509 2.168 30 10 IEEE COc1ccc(C[C@](C)(O)CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC 584439780 MFSOSRCRVHNCGH-QFIPXVFZSA-N 436.472 2.271 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)CC2)nc1 604195426 DZGSHHKTQLQCEJ-HXUWFJFHSA-N 435.503 2.222 30 10 IEEE Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609255528 CVPGIIOEJSTWBV-UHFFFAOYSA-N 440.500 2.450 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670233352 UBTMBCLFZQLMPV-UHFFFAOYSA-N 442.568 2.206 30 10 IEEE CCOCCC/N=C(/NN)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705864999 HIGSJPFJTAUZNQ-UHFFFAOYSA-N 425.577 2.293 30 10 IEEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730136678 AHSVMPBWDALSDI-INIZCTEOSA-N 428.505 2.001 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 733253156 GRLBSCGZPGLJIA-QGZVFWFLSA-N 432.299 2.355 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742213877 PVAYIZSVLNYDIW-YEXGLAGPSA-N 429.590 2.076 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(C#N)cc2)C1=O 748317187 DRLFWJSEIZEZGR-HSZRJFAPSA-N 435.436 2.068 30 10 IEEE Cc1oc(NC(=O)COC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c1C 752612316 AEBFZRCNKWCVOT-CYBMUJFWSA-N 433.486 2.304 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 754378261 DLVSUBAVEBNILM-SFHVURJKSA-N 429.477 2.188 30 10 IEEE CN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@]1(C(=O)O)CCOC1 757474496 JINVYAHJFKTARQ-RUZDIDTESA-N 448.475 2.231 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 761058407 XUTHVJBWHTVLQK-PMACEKPBSA-N 431.945 2.427 30 10 IEEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 767695811 FTENRLQOECHREC-CYBMUJFWSA-N 434.967 2.380 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1CCC 772279483 UYWPLPBKAOIVCD-UHFFFAOYSA-N 446.370 2.196 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772896564 CTCSCPGNUNAZSH-UHFFFAOYSA-N 430.599 2.026 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 778446727 FJBTUEZWCOXEKW-UHFFFAOYSA-N 446.555 2.486 30 10 IEEE COC(=O)c1sc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)c1Cl 788671062 XPOOGDPVXPLPGH-UHFFFAOYSA-N 440.934 2.274 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)n1 788818335 KIUDSYKHTMULOJ-UHFFFAOYSA-N 446.573 2.190 30 10 IEEE C=CC[C@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 790563524 FYALNLKBJSKCAA-WZONZLPQSA-N 436.597 2.391 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CN2CC[C@@H]3CN(C)C[C@H]32)c(C(=O)OCC)c1C 794955486 URPJKIUCTFDDFV-HUUCEWRRSA-N 435.546 2.150 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 798853194 LQEWKNAJKRPIQY-GOSISDBHSA-N 433.530 2.220 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCC(F)(F)F)C(=O)N1Cc1cnn(C)n1 807928620 BRJOUZVRLXJNTF-CQSZACIVSA-N 440.451 2.324 30 10 IEEE N#C[C@@H]1C(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)=CC(=O)n2c1nc1ccccc12 856550146 YPYLKRAUMXXTIU-IPMKNSEASA-N 426.480 2.074 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(NN=C(C)c2ccccc2O)n1N 1083931639 XXAOVXPAJXTRLT-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE CC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134645151 AWLIKIASFDKWDV-RLFYNMQTSA-N 425.348 2.415 30 10 IEEE COc1cc(N)c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1S(C)(=O)=O 1136612595 ONVXZTTUYMWRRP-UHFFFAOYSA-N 431.470 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)CC3(C#N)CCOCC3)C2)CC1 1142009208 CSHVJGUCMWUELQ-GOSISDBHSA-N 448.564 2.015 30 10 IEEE COC(=O)CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1cc(OC)cc(OC)c1 1167193442 XAQQQURGQQIDJM-UHFFFAOYSA-N 432.498 2.024 30 10 IEEE Cn1ncc(I)c1CN1CCN(c2ccc(F)cc2C#N)CC1 1175454731 WUGXLANORXJSTQ-UHFFFAOYSA-N 425.249 2.358 30 10 IEEE N#Cc1ccc(N2CCC[C@H](N3C[C@@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)C2=O)cc1 1176951539 JETBJJSDCJPHCI-IEZWGBDMSA-N 441.475 2.495 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)C1 1225936548 FFVGUDWMYVTIRS-BZSNNMDCSA-N 429.521 2.344 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)C1 1225939355 YXDXMNQHYDBSAP-HRCADAONSA-N 449.552 2.444 30 10 IEEE C#CCC1(NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CCOCC1 1251158309 UNCPZVGZFJYVMM-QGZVFWFLSA-N 449.548 2.191 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2CC)c1 1286309192 HYYLQMCBQUVIHX-FQEVSTJZSA-N 444.543 2.276 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286354273 KBYMZYSWCGUQHK-UHFFFAOYSA-N 446.559 2.057 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)c1ccccc1 1286379810 CRAOOWZESRMVKB-RTBURBONSA-N 445.589 2.245 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389940 TXIAXWNVCDLQIG-IBGZPJMESA-N 439.541 2.117 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286392720 MWRNNXLEGLAZFY-HXUWFJFHSA-N 433.622 2.123 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(C(C)=O)CC1 1286403544 MAZFSPJKRWUWAE-UHFFFAOYSA-N 433.512 2.048 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1C 1286756462 NCHZOGIXPUFTON-UHFFFAOYSA-N 445.531 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1286786072 WRUOICXQBMLFMU-HXUWFJFHSA-N 431.544 2.353 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CCCC1 1286786856 JXTWDDXIWVUQAD-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCCc2ccccc2)CC1 1286788464 WVHCXKLPXJVIDZ-HXUWFJFHSA-N 439.560 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)C)C1 1286814962 YNNPKBULPHCLLC-MRXNPFEDSA-N 432.550 2.009 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C)C1 1286818662 ZBOFXDKPSAIKOK-CVEARBPZSA-N 438.525 2.383 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286830728 PNGULNXWBDCUGO-IAGOWNOFSA-N 430.582 2.198 30 10 IEEE C=CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OC(C)C)CCOC1 1286834852 KXZMBVYYGHJEQU-QFIPXVFZSA-N 449.621 2.344 30 10 IEEE CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1286951819 DXPZWEUVGGNRFV-QFIPXVFZSA-N 445.527 2.240 30 10 IEEE O=C(c1ccc(-n2cnnn2)cn1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1289424812 QADTYXFXSVWVLZ-RKDXNWHRSA-N 442.270 2.300 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCn2cnnn2)cc1C 1289740967 WFFUNWPNAPXVFI-QFIPXVFZSA-N 448.535 2.354 30 10 IEEE Cc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1S(=O)(=O)NCC#N 1291686123 PHVMKDCNVQLBNK-UHFFFAOYSA-N 441.435 2.053 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C 1296092630 GNGNPKXRDVFNHV-QVKFZJNVSA-N 426.477 2.146 30 10 IEEE CCOCc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1297298630 CACYODIWBDFMLK-NRFANRHFSA-N 436.516 2.183 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298595254 FKWUFOIBFUSONO-WKSPDDFDSA-N 442.442 2.087 30 10 IEEE CC(C)OCCS(=O)(=O)NCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1299753406 AGZDUPMJTOMDDX-AWEZNQCLSA-N 435.468 2.290 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300321314 KKOKHCJVDILOBM-KGNHYALCSA-N 448.527 2.458 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300675396 QLAHLKUWFICDOL-QGZVFWFLSA-N 445.568 2.139 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2CCCO[C@H](C)C2)CC1 1300706967 USTKDZMVZFROJR-OAQYLSRUSA-N 428.625 2.267 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cnn(CC)c2)CC1 1300710076 RCGMHYUXCWTLMN-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300893002 XLCMTGVNRJVIOR-OFNKIYASSA-N 444.624 2.202 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300989471 ONYBDUOKTYYUFG-LJQANCHMSA-N 432.569 2.103 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301258454 SSNLRUWKQSIAMR-KRWDZBQOSA-N 429.496 2.367 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C)C1CC1 1301326537 BQWVQCJZIWEJRH-FQEVSTJZSA-N 445.589 2.431 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@H](C)C2)C1 1301543624 NQEJPZWIOBZUAT-MZKRTTBSSA-N 433.597 2.443 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nccnc2C)C1 1301544470 XPWHXZFUOUUSMZ-PGRDOPGGSA-N 428.537 2.053 30 10 IEEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 1302707147 NTPQIEKSFOLLHD-UHFFFAOYSA-N 427.461 2.445 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1303872737 XZLGATVNYLJZSO-SFHVURJKSA-N 449.573 2.420 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316335104 AUZIROUPXLSNRA-LAUBAEHRSA-N 447.536 2.260 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@@H]1F 1316492584 UARHVRPBUQRVKJ-APWZRJJASA-N 429.496 2.455 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(N)=O)c2)C1 1316532600 RKFWUJFBIZGBBN-NRFANRHFSA-N 440.504 2.285 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCOC2)c(OC)c1 1352007849 GOONCGBEDFDTOQ-FUHWJXTLSA-N 438.532 2.175 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358939358 VCOUNVYWWHLJMV-NVXWUHKLSA-N 435.525 2.051 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1358986161 PCPMKQDUPJNQSH-ZWKOTPCHSA-N 444.532 2.455 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1359097572 QJIDXFVEAABZDS-PXNSSMCTSA-N 427.553 2.012 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359313351 KNGBJMZSWIHTOU-WMZOPIPTSA-N 433.578 2.463 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1359318995 QJKNWXFJQPKZJR-WBVHZDCISA-N 439.486 2.344 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1436971394 VLVZAYYFPRJNDO-HNNXBMFYSA-N 433.555 2.403 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c1 1443468028 RHJXARDEIUNENK-HXUWFJFHSA-N 436.493 2.317 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2 1445029567 NTTNZKBOINYLAX-INIZCTEOSA-N 436.534 2.071 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1465029745 ATFPNVUTTXVFEI-AQNXPRMDSA-N 448.608 2.132 30 10 IEEE COC(=O)COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1466727612 VFZSNGHQPQJVTG-CYBMUJFWSA-N 434.445 2.166 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)c1 1469488759 UTUSYZKLLQYLRA-NRFANRHFSA-N 444.553 2.411 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 1471457934 RUAGLJJEXLONOQ-GOSISDBHSA-N 433.553 2.320 30 10 IEEE C#CC[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1475917657 NYMFNAJWDOTDMG-GOSISDBHSA-N 448.589 2.431 30 10 IEEE CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1500458402 MAWCIJVLQISRGP-SJORKVTESA-N 428.541 2.179 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1503213017 CHCNDXHKHKTLFJ-VGSWGCGISA-N 427.505 2.149 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1507569396 FKVWMBAIWONNOW-UHFFFAOYSA-N 445.571 2.398 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507569958 AEFOUWBJHJPOLK-GOSISDBHSA-N 426.496 2.356 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CSc2ccccc21 1507713630 QXYDXZLINMDZGS-QGZVFWFLSA-N 425.558 2.376 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(OC)OC)c2)CC1 1507725458 WCPTUSNGEGEQHS-UHFFFAOYSA-N 432.528 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1507773596 UPIAROFENZJBFG-IIBYNOLFSA-N 432.521 2.368 30 10 IEEE C=C(Br)Cn1c(N(C)CCNC(=O)C(C)C)nnc1[C@]1(OCC)CCOC1 1507791900 BNUBUZVDQKGEAL-SFHVURJKSA-N 444.374 2.047 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507931936 JCACSXRDYSNWFB-UHFFFAOYSA-N 425.581 2.384 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507962536 STSGCAWKWQALGO-AWEZNQCLSA-N 429.443 2.170 30 10 IEEE COCCOCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1519394760 QHXMLKFKFLAHEY-SFHVURJKSA-N 437.504 2.117 30 10 IEEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1523647133 PNPJLDBVYVQZTR-GOSISDBHSA-N 449.573 2.065 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)C(C)C 1538267393 XHMSZRSHGQOALK-UHFFFAOYSA-N 434.299 2.025 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1539037553 GPQMHADXBUUFBZ-HCXYKTFWSA-N 446.596 2.227 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1539067379 DGSDXIFTEAMWFB-UHFFFAOYSA-N 433.516 2.489 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539230007 JSYPWKKKODMZJA-LEWJYISDSA-N 442.585 2.117 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1csc([C@H](C)OC)n1 1539237377 CNGZORZVQPMZFU-HRAATJIYSA-N 429.546 2.215 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCN3C3CCCCC3)CC2)cc1 1539368352 UASBQGSTZIJSGZ-NRFANRHFSA-N 444.601 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2=CCCOC2)CC1 1539474322 OQLFRGNANGJVCU-UHFFFAOYSA-N 440.935 2.306 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1539670219 ZAUMVDGJNLCGDI-CEXWTWQISA-N 439.626 2.082 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540027457 XLSJCTHJJOOQTG-QFIPXVFZSA-N 425.537 2.362 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1540869808 XIRKZALBHRCZSC-IRXDYDNUSA-N 449.559 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1540877487 XEKPJIBXQVMGMH-HZPDHXFCSA-N 444.502 2.142 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)C1 1540960001 HZYDKVRZZRPPFL-SFHVURJKSA-N 434.504 2.464 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN(CC(F)F)C2)c1 1541081163 VADGMLHMGWRLGR-ZYNBKEAPSA-N 428.505 2.415 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(=O)N1CCOCC1 1541483949 GPNOLJTXKLUHTN-RTWAWAEBSA-N 436.560 2.469 30 10 IEEE Cc1cccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)c1C 1542662802 LKJWUCIBZALEMH-QURGRASLSA-N 435.532 2.056 30 10 IEEE CNC(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1554484770 CYGKHQKZVIHAQS-HOTGVXAUSA-N 433.557 2.125 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)n1 1555443784 FSWSTPJJOMNZGH-UHFFFAOYSA-N 437.504 2.330 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1555753529 QNLROTBPGOIJMK-JBACZVJFSA-N 440.548 2.040 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC(F)(F)Br)cc1 1555989369 IZNIKJZVUFDZFL-UHFFFAOYSA-N 425.237 2.131 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)C1 1558691297 HZGRWLSBDAVGJX-FYYLOGMGSA-N 434.492 2.395 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)ccc2OCCOC)CC1 1561866801 VBUMAIBWBAFUQP-UHFFFAOYSA-N 432.336 2.013 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CCCN1C(=O)OC(C)(C)C 1583400602 TUEFMCZUJQHPLI-NTKDMRAZSA-N 440.544 2.482 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 1583811259 AOVQAAYWYZNXSX-QFIPXVFZSA-N 436.512 2.004 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587615815 YVMIRCAVEIIHCC-SJORKVTESA-N 440.573 2.176 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1587855801 BLRDIHCRFMQGHA-SFHVURJKSA-N 425.537 2.019 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588039909 GAHRNNVBYHKVKS-AZUAARDMSA-N 444.557 2.150 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1589186278 WJVDIAMNXKBXEV-RPWUZVMVSA-N 439.560 2.411 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1589515684 RBODICHAJCCTQE-RXVVDRJESA-N 425.533 2.397 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1589662989 FXDKKHSCWBAKBC-SJORKVTESA-N 443.639 2.299 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1594533691 FFANWUZQYCURLG-RBUKOAKNSA-N 445.589 2.400 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1594651690 PHSQGTKWPOMYIA-UHFFFAOYSA-N 445.593 2.477 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1595108706 IHPHRLQRYLKSJQ-FQEVSTJZSA-N 438.576 2.427 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)C1 1595688539 KUJRCMMOLBJLFJ-HNNXBMFYSA-N 436.419 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccs2)CC1 1595784878 MCQMGIYZQKVUJC-UHFFFAOYSA-N 446.602 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(C)c1 1595797773 IIVQQVXXNFMHIZ-SFHVURJKSA-N 434.562 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@@H](C)C1 1595805018 KLNDAVCAEQVUMP-FCEWJHQRSA-N 432.546 2.484 30 10 IEEE COc1cc(CN(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)sn1 1597863447 HLJHWHNAXGDQKH-UHFFFAOYSA-N 436.559 2.409 30 10 IEEE CC(C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1598580938 GRWKTGATVSSUFK-XUTLUUPISA-N 438.536 2.041 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)cc1 1612145318 VCMSDCRPYBQTFW-TZIWHRDSSA-N 441.532 2.338 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOCC1CC1 1612657580 KKEGIFBXQRBDFJ-KRWDZBQOSA-N 438.532 2.212 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1615905249 KKDYKUINTVIWBW-HXUWFJFHSA-N 429.456 2.458 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1619913151 VMUUQKLLZQMXLU-IAGOWNOFSA-N 436.557 2.452 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1620070352 HHJFSKJFKYLSIT-FDDCHVKYSA-N 441.532 2.254 30 10 IEEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(c4cnccc4C#N)CC3)cc21 1622192179 AIPYBZIEACKSCS-INIZCTEOSA-N 439.541 2.324 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)COc2cccc(Br)c2C#N)C1 1626830880 ULKYLVNYWZQGLV-UONOGXRCSA-N 438.322 2.089 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](O)COc2ccc(F)cc2)C1 1631318019 BWHACMMXVUGCKQ-QGZVFWFLSA-N 448.292 2.452 30 10 IEEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 1635160147 HXBBLOIILPLCKP-UHFFFAOYSA-N 431.602 2.226 30 10 IEEE Cn1cc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C2(CO)CCC2)cn1 1636261886 HPZPBTWVHUFLET-LJQANCHMSA-N 430.530 2.131 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC(=O)c3cc(F)cc(F)c3)C2=O)cc1 1639226129 PCYDWHOYCUGIAC-KRWDZBQOSA-N 426.379 2.041 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)C1=O 1639594040 GBMXYXNYTBVESA-QGZVFWFLSA-N 435.565 2.164 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)CN(C(=O)OC(C)(C)C)C1 1640782266 UNROEQBCRMPUJD-JOCHJYFZSA-N 434.537 2.341 30 10 IEEE COC[C@]1(CO)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1640895782 BJGLBHDTKPERFG-AUSIDOKSSA-N 429.517 2.250 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)C1 1644588849 INKAKRBFMNHJJI-NVXWUHKLSA-N 442.375 2.192 30 10 IEEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CCCC1 1647933058 RIFJVKZVIQFDAR-UHFFFAOYSA-N 443.529 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCC[C@](C#N)(c4ccccn4)C3)OC2=O)C1 1647980491 AHAGRIXUDBYAFS-VGOFRKELSA-N 426.517 2.491 30 10 IEEE CN(C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@H]1C#N 1648668185 ALRSYYHCOWKDES-FUHWJXTLSA-N 435.546 2.447 30 10 IEEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1653631122 FFIVZRXIARLYNG-RTWAWAEBSA-N 429.542 2.379 30 10 IEEE C=CCn1cc(CNS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)nn1 1662631166 BXUGPPGVPAEBKA-LJQANCHMSA-N 433.534 2.075 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCN(C)CC1 1677504937 RECXMYFVTNPRMU-RTBURBONSA-N 426.561 2.175 30 10 IEEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1F 1682843129 GFAMYLLTPQKPMG-XMZIXOGTSA-N 430.299 2.229 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1683313403 OSTRZTRDIKYAKT-BZSNNMDCSA-N 438.569 2.173 30 10 IEEE C#CCN(C(=O)N[C@H]1CCC(=O)N(C)C1=O)[C@@H]1CCOc2ccc(Br)cc21 1686854194 UWIBRJCXNVIWRG-LSDHHAIUSA-N 434.290 2.065 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1687208622 QRBJIRTXSGPALR-AWEZNQCLSA-N 425.279 2.178 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1cccs1 1690006644 VYPMTYMJEZCYGN-UHFFFAOYSA-N 434.481 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1cn[nH]c1 1690031678 TYGQHJGXGFENPX-UHFFFAOYSA-N 435.919 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(F)(F)F 1690097171 BPMGEJOZIMOBMK-UHFFFAOYSA-N 434.426 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C)CCC2)CC1 1690136732 IVVHTAYBDAWVBE-UHFFFAOYSA-N 428.581 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCOc2ncccc2Cl)CC1 1690150384 FWVGNKABIMSUJQ-UHFFFAOYSA-N 442.951 2.324 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690179107 MUMUPHJXMDWFMH-XMSQKQJNSA-N 427.574 2.405 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1690252534 GABWZZOAUKJRNG-YDHSSHFGSA-N 448.564 2.301 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1690750478 LFMLUJQYARJZNB-GOSISDBHSA-N 445.589 2.306 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1695437689 CAAAKNLMISMGAX-IBGZPJMESA-N 437.548 2.228 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)CCO1 1698492519 CWWSVSRGCZFNMZ-PFSRBDOWSA-N 426.443 2.327 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705528932 XKKKNYZXNAWZJQ-RHSMWYFYSA-N 447.333 2.481 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)CN(C)C 1705557750 ZVBAHZPENHPFBZ-UHFFFAOYSA-N 437.636 2.300 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1705601741 UNFGFIFFTXSOGS-UHFFFAOYSA-N 442.479 2.215 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCN(C)CCOC)CC1 1705636117 YHZPKQLJRUAFMM-UHFFFAOYSA-N 436.560 2.415 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705657133 UBHRJZSNHSOYQZ-JOCHJYFZSA-N 441.557 2.188 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1705728945 DRRILTBFTGJYLT-UHFFFAOYSA-N 428.537 2.041 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705737297 OAXJOQWBFUKTHR-RBSFLKMASA-N 436.500 2.408 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1705811642 HJSWVTAUWZOKHE-INIZCTEOSA-N 436.557 2.320 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1705834273 HRVOTBLAGYIGID-IEBWSBKVSA-N 432.594 2.175 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1705897296 JUPSPNGNNHMQKE-JKSUJKDBSA-N 442.568 2.237 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1705905383 TTYULAPXNIGDAN-UHFFFAOYSA-N 443.523 2.432 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccn(Cc2ccccc2)n1 1706078869 YGBHDSNSCFRYEB-GOSISDBHSA-N 432.532 2.289 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OCCN(C)C)cc1 1706426151 HKZNIEFVUIVDIX-OAQYLSRUSA-N 426.565 2.388 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@@H]1CCCO1 1709142297 WZQDVLBJXPWPDW-IBGZPJMESA-N 425.537 2.019 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)cc1C 1712648019 ODGMKUBYIGCKHH-TYPHKJRUSA-N 440.548 2.154 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1722317681 VYAFZHLBXOFIOJ-GOSISDBHSA-N 443.573 2.016 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722324965 CDYPBPYGLSYWIZ-RBUKOAKNSA-N 441.557 2.009 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722352382 PYORFEXXWNBIKV-AKHDSKFASA-N 445.564 2.266 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccco1)N1CCCC1 1722373173 FMUSIKUILIHBJI-GBXCKJPGSA-N 437.544 2.433 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCOC)CC1 1722442139 YQCPLMALZKPRCX-KDURUIRLSA-N 446.596 2.231 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 1722531500 ONDKGWAKHQHFKW-UHFFFAOYSA-N 426.565 2.481 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1722865304 GNMIFFUENWSGPK-IRXDYDNUSA-N 426.521 2.033 30 10 IEEE Cc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1724652918 RSFFCHDZBWOXAV-JRWGXLCNSA-N 449.490 2.146 30 10 IEEE CCN(CCn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F 1728506402 FGGZSLNRERZIOK-KRWDZBQOSA-N 428.438 2.395 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1740624839 BEKVYPBQZNIPTP-QGZVFWFLSA-N 435.619 2.419 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740625147 OGEIUBZNLJBNCI-CTNGQTDRSA-N 447.649 2.369 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 1740690817 OHQXZTWQWMUBAH-FYYLOGMGSA-N 436.604 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1740705367 GIIJANYCXIBNKF-UHFFFAOYSA-N 432.569 2.063 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740709292 LWOSCKHDTSLHRP-BGYRXZFFSA-N 446.665 2.394 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1740727898 FIQNOXAVNWOPBJ-XMMPIXPASA-N 436.560 2.110 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740757652 QOQSHZQYZJFGOD-HBFSDRIKSA-N 425.537 2.069 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740884454 BEUVQPGVSQKNAY-UHFFFAOYSA-N 448.593 2.209 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1740932205 JBSLOTONDIAFRI-HXUWFJFHSA-N 445.589 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740956405 LIPPFLWITAIBBH-KRWDZBQOSA-N 444.967 2.059 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1745013709 IUJSXJYOBYBURN-STGLLQLASA-N 427.534 2.131 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN(C)C(C)C 1747186984 DRKJRRWMUQLIJO-UHFFFAOYSA-N 429.544 2.492 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1748717809 IYALAFRXEWJHQM-CVEARBPZSA-N 435.575 2.018 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748812681 ZAKPEWJMTUGLOU-NLWGTHIKSA-N 443.573 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCCC1 1748831740 WHDPZRVIJUYGHZ-UHFFFAOYSA-N 439.585 2.296 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NC(C)C 1748953186 GGDAUBAWHIPUTC-UHFFFAOYSA-N 434.338 2.318 30 10 IEEE CO[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1749217333 UEWMPVRABZVYAF-PWQQTYEBSA-N 442.564 2.398 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N(C)C)CC1 1749220926 TUNZDSBVDJDZFE-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1749247519 PZERWMSPCPGFKU-UHFFFAOYSA-N 433.900 2.404 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(C)=O)c2)CC1 1749329250 JGGAPKBIPSJPBU-HNNXBMFYSA-N 446.577 2.297 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749655679 OYMXVGNPXCXPOA-BTYIYWSLSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(F)c(F)c1 1749666029 DTDVAGHBXUPUHG-UHFFFAOYSA-N 444.442 2.223 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)CCOC)C1 1749704124 WINDQBIABIKUMN-WZONZLPQSA-N 444.532 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749709160 OAENYBALYNSGCS-QZTJIDSGSA-N 438.594 2.311 30 10 IEEE COCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750100943 QVZNRVCUSSNFMY-LJQANCHMSA-N 430.940 2.438 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCOC[C@@H]2CCOC2)CC1 1760255211 WBKZIBXVLODIKW-FQEVSTJZSA-N 439.560 2.152 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760527925 MKDCKOODTBHECP-IRXDYDNUSA-N 443.529 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)C1 1760541446 CCGZHUZXLZBHDE-WMZOPIPTSA-N 444.536 2.362 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1760700690 IEOJRQKZYLHNIQ-HOTGVXAUSA-N 441.561 2.051 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC2CCOCC2)CCOC1 1761291782 ONJYVZFGZCUGBR-SIKLNZKXSA-N 433.553 2.254 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN3CCCC[C@@H]3C)CC2)c1C#N 1762399952 HXLAJFCXRYQVAB-KRWDZBQOSA-N 425.585 2.091 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@H]2CCCO2)n1 1762439894 CHVDLPQDEZUNEK-WIYYLYMNSA-N 431.516 2.167 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1764754737 FRVGYGMYAAGVFT-JXFKEZNVSA-N 442.589 2.313 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1769566526 DTDKJLQVNSWLAO-KNQAVFIVSA-N 437.592 2.456 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769723118 PEWNDRKDBQYROC-SQJPUDIVSA-N 430.553 2.398 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)c(OC)c1 1769983180 GFKQTUJTXVRPTB-KSSFIOAISA-N 426.521 2.473 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1770666674 ACCPNYYAKMCNOY-ATZDWAIDSA-N 447.923 2.291 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H]3CCc4nn(C)c(=O)cc4C3)ccc21 1851026794 BWLRPTICMURCNT-HNNXBMFYSA-N 436.512 2.462 30 10 IEEE Cc1ccc([C@H]2[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cc1 1851892196 KOYAMPPVHWOMEJ-GGAORHGYSA-N 447.539 2.147 30 10 IEEE CCc1ccccc1N1C[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC1=O 1852525037 UBTGTCGWKJZVQW-OAQYLSRUSA-N 447.539 2.234 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2CCCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1855605559 VKYREDNIPDTVSK-FQEVSTJZSA-N 431.558 2.166 30 10 IEEE COc1nn(C)cc1C(=O)N1C[C@@H](C2CCN(Cc3ccc(C#N)s3)CC2)CC1=O 1856911314 ZZMGDQUTOFRROY-HNNXBMFYSA-N 427.530 2.263 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cccc4ccccc34)C2)CC1 1857025984 DYTJQVBGXBVJGR-SFHVURJKSA-N 425.510 2.394 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862690050 GPHXABNNJFEDNL-IBGZPJMESA-N 441.440 2.449 30 10 IEEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863211355 MZUOTPDJRSLJSR-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE C=CCNC1=C(c2cc(OC)ccc2OC)C(=O)N(C2CCC3(CC2)OCCO3)C1=O 1863721649 ZSZQJDBYEOOOAR-UHFFFAOYSA-N 428.485 2.245 30 10 IEEE COc1ccc(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 1866007236 LNFCIPGAHBKOLU-UHFFFAOYSA-N 435.889 2.493 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866577112 FGTNPGVRKBAUAJ-XLIONFOSSA-N 443.500 2.188 30 10 IEEE Cc1cnc(C(=O)Nc2c(C#N)nnn2-c2ccc(I)cc2)cn1 1870152946 TWNHCHRSKYFFNQ-UHFFFAOYSA-N 431.197 2.094 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871543000 UFPNVMIGJOQHAA-QGZVFWFLSA-N 426.521 2.246 30 10 IEEE N#Cc1cccc(NC(=O)CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 1873866310 BSWWURDHRJTBEF-UHFFFAOYSA-N 426.498 2.382 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc3c(c2)OCCO3)CC1=O 1874340052 AEZNEDASFXTOPZ-BFTVFPACSA-N 445.545 2.130 30 10 IEEE O=S(=O)(NCC#CCN1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1890217211 QQUIPMUDEPLJIJ-UHFFFAOYSA-N 430.370 2.338 30 10 IEEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(COc3ncccc3C#N)CC1)CS2 1891143641 IZUNUMLGCQAIGP-KRWDZBQOSA-N 425.514 2.173 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)ccc21 1891284298 YNIAARPWVVWLMA-UHFFFAOYSA-N 426.429 2.483 30 10 IEEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(COc3ncccc3C#N)CC2)c1 1892091200 FAPVEMQABDHAII-UHFFFAOYSA-N 445.497 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2060634125 VWTCEWXYIYDFEL-UHFFFAOYSA-N 430.314 2.282 30 10 IEEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)C1CC(S(C)(=O)=O)C1 2172778953 WEXZFKMXQWYBNB-UHFFFAOYSA-N 445.188 2.155 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194175786 RCWCDKWUVRLJMV-BZNIZROVSA-N 446.176 2.430 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255597233 PDPYSIZNHLIGOK-CYBMUJFWSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2256676625 QLYKIOLRMSNDSV-KHJUTWJGSA-N 436.358 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258959963 YTXTVDIJJQBWSO-KRWDZBQOSA-N 436.358 2.401 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267177131 JVRAJNCPBRPNCP-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267261002 ROSZBBQEBBNIHL-UHFFFAOYSA-N 443.353 2.320 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267518447 BTCTVYXFCUADLT-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1NC(=O)OC(C)(C)C 2267549729 PCEKWTCRQQZZSE-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2267589052 UXBDHLONABOBAE-ROUUACIJSA-N 443.353 2.224 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268637765 FPHCLLFYPFOVDQ-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)c(OC)c1 2296936220 HFXPEODAEOJKGG-GOSISDBHSA-N 428.397 2.026 30 10 IEEE O=C(Cc1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)NCCc1ccccc1 9860466 CRHIZOMSEPBTPR-OALUTQOASA-N 429.567 2.078 30 10 IEEE O=C(CSc1nnc(N/N=C/c2cc(Cl)cc(Cl)c2O)[nH]1)Nc1nnc[nH]1 21079647 OQVHCMQHOBALGF-IJUHEHPCSA-N 428.265 2.112 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 24328410 AHQJOGODRCZJDZ-UHFFFAOYSA-N 425.514 2.213 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc21 427143509 JMUZKBKQCKLQSF-UHFFFAOYSA-N 443.507 2.083 30 10 IEEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)N[C@H](C)C(=O)N3CCCCC3)c2c1 428284469 FHDBFTBCPNGCMW-CQSZACIVSA-N 426.473 2.020 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)cc1 432191513 JJZAEOIFUAIROD-UHFFFAOYSA-N 433.555 2.460 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc(Br)c1F 433379939 XIJRSBWQUNCAJJ-UHFFFAOYSA-N 426.242 2.466 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 437363796 HRVXFUJCQBUGPN-JLZZUVOBSA-N 435.452 2.499 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460375479 PNSJZZMHYIARCN-IBGZPJMESA-N 439.520 2.172 30 10 IEEE COc1ccc([C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c2nccn2C)cc1 465215407 LMYRHAIRYLAITP-UZLBHIALSA-N 446.515 2.100 30 10 IEEE Cc1csc(NC2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n1 474812725 VZERLOWVYATPBO-UHFFFAOYSA-N 433.559 2.360 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)c3ccc(Cl)c(C#N)c3)C2=O)c1 479216346 ZCMZPJFITPADNJ-SFHVURJKSA-N 435.889 2.313 30 10 IEEE Cc1cc([C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCO2)ccc1F 486046352 PRGNDFKLAMSSPF-YWZLYKJASA-N 431.489 2.273 30 10 IEEE COc1ccc([C@H]2CCCN2C(=O)CN2CCN(c3ncccc3C#N)CC2)c(OC)c1 506937636 RPGNEOIKAJXRHW-OAQYLSRUSA-N 435.528 2.456 30 10 IEEE Cc1cc(S(=O)(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)ccc1OCC(=O)O 510115062 AZAQEZXEBLKQQZ-UHFFFAOYSA-N 430.417 2.456 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)CC1 525583659 LVZOVMQATFMQHU-UHFFFAOYSA-N 425.533 2.385 30 10 IEEE Cc1nc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(=O)[nH]c1C 539941326 WZSUQGLLFZDQGU-INIZCTEOSA-N 430.306 2.172 30 10 IEEE C[C@H]1C[C@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 549288766 TZCOMHJGTACJGP-BCDXTJNWSA-N 434.562 2.168 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 588152269 MDGXUZVXRWUTKL-ZFWWWQNUSA-N 432.492 2.485 30 10 IEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C 590943116 HFIXTYCIMBVVLS-SFHVURJKSA-N 447.560 2.170 30 10 IEEE N#Cc1cccnc1N1CCN(Cc2nnnn2-c2ccccc2Br)CC1 609040215 VPRFIDRWIRPGJG-UHFFFAOYSA-N 425.294 2.014 30 10 IEEE N#Cc1cccc(OCCCCC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 615487156 RSMLPCNECDTGNQ-UHFFFAOYSA-N 442.541 2.104 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 732946341 ZXRKKTLEEGDHHL-QGZVFWFLSA-N 429.489 2.342 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1-c1ccccc1C 736584812 QFTMAHJBAFHKQG-UHFFFAOYSA-N 438.578 2.310 30 10 IEEE N#CCC1(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CC1 744278218 SPSBVOUPEMFTOL-UHFFFAOYSA-N 443.319 2.321 30 10 IEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(=O)O 757301112 RYXCWVLTHPTAFS-SFTDATJTSA-N 438.480 2.422 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1nnnn1CC1CC1 769735130 JAHDCTJPXDZGNB-QGZVFWFLSA-N 439.545 2.192 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774234219 LZFMQFRCIRYCDN-NVXWUHKLSA-N 441.500 2.089 30 10 IEEE N#CC1(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CCN(Cc2ccccc2)CC1 779547040 QWDPEULMIIBFRY-VQTJNVASSA-N 436.537 2.365 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)OCC(=O)NC2(C#N)CCC2)[C@@H]2CCCO[C@H]2C1(C)C 784244043 KYDNBMMUVWFWRR-YGHRGLEHSA-N 435.521 2.191 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC[C@@H](OC)C(F)(F)F)C1=O 786690501 VIWPZBNFXSAMDT-PEZYZRJDSA-N 432.468 2.028 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 789959850 LEILNORRNHGVLL-SFHVURJKSA-N 429.521 2.118 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(CC#N)CC2)c1 797426851 PGBKURVUVQZTLB-LJQANCHMSA-N 437.569 2.361 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)csc1=Nc1ccccc1C#N 803181671 NFOGHZYHRMNROX-UHFFFAOYSA-N 428.543 2.440 30 10 IEEE COc1cc(CN[C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)ccc1C#N 810250101 HRIOSPUHLZYWLE-CQSZACIVSA-N 437.543 2.143 30 10 IEEE C=C(COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21)C(=O)OCC 811362913 JBYXRXCUUGEZQG-CYMYHSCOSA-N 435.476 2.128 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cn2c(Br)cnc2s1 815949991 FIMLWQXKOMEAOZ-UHFFFAOYSA-N 425.289 2.457 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1F 914739580 YVEOAXDVTWXMPR-HOTGVXAUSA-N 428.551 2.417 30 10 IEEE C=CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 1125883071 GYADHWJLJTYNJL-JTQLQIEISA-N 426.343 2.212 30 10 IEEE C#CCN(C(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 1125884397 UDZQXYMCLRGDOS-AWEZNQCLSA-N 435.908 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3sccc3CC#N)CC2)CC1 1131220895 SUUPORRFOLPJJT-UHFFFAOYSA-N 447.561 2.245 30 10 IEEE Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C(=O)CC#N)CC3)ccc2C)c1 1137370335 ZRZKJTVUNONMKH-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1c1ccc(O)cc1 1143561805 DMFUTUPISSONFX-VQTJNVASSA-N 431.452 2.061 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCCOc1ccc(S(C)(=O)=O)cc1 1190541936 SJNGNHSBMKZCPM-UHFFFAOYSA-N 440.521 2.090 30 10 IEEE Cc1ccnc2c1NC(=O)CN2S(=O)(=O)c1cc(Br)c(C#N)cc1F 1211406308 GRIWEGHHAFKVRV-UHFFFAOYSA-N 425.239 2.311 30 10 IEEE C=CCN(C(=O)Nc1nc2c(s1)CCC[C@@H]2C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1218790948 AATFUTMIEUESBU-OLZOCXBDSA-N 427.548 2.333 30 10 IEEE COC(=O)c1cnc([C@@H]2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)s1 1225936648 FRQSTTIMIAVJAT-HZSPNIEDSA-N 449.533 2.188 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286390220 YQUPCTOAQVRQLA-HNNXBMFYSA-N 442.570 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286405260 BGRIVBSTDOEMSB-LJQANCHMSA-N 442.445 2.153 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCc2cnn(C)n2)CC1 1286473460 SYEAODGDUBWRAG-JOCHJYFZSA-N 432.576 2.337 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286508992 LODFYSYNWWOVPH-QGZVFWFLSA-N 442.545 2.383 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1286516936 NUSPRHWJKJKTKQ-BBTUJRGHSA-N 436.626 2.001 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286543710 BHKUDLHGQYRUMP-AWEZNQCLSA-N 435.326 2.449 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCOCC 1286553518 FGUSCYWXMDBOTR-KURKYZTESA-N 426.583 2.024 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1286788192 RTEBEVNHZXMDIQ-MCGGYZEXSA-N 445.589 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286816522 FXWQCKMXQSDVNL-DLBZAZTESA-N 426.583 2.167 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1287666652 HLAKUEWBRMFOFS-GOSISDBHSA-N 440.548 2.458 30 10 IEEE C=CC1(CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1290318351 DUKAXAWNEYTVRJ-UHFFFAOYSA-N 448.608 2.346 30 10 IEEE C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CCCO1 1291278098 PTWCUIXOHDRICK-CQSZACIVSA-N 426.502 2.398 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN(C)CC(F)(F)F 1293111609 XQIYPCKLADEQFO-UHFFFAOYSA-N 436.486 2.318 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1296263557 CXAFSKYECHOIOU-SFHVURJKSA-N 441.488 2.031 30 10 IEEE CN(CC1CCOCC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1298579828 JSSAWIQYCZHLJO-FMQUCBEESA-N 430.553 2.256 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1 1299281339 LSDNWRYSBJFKRL-UHFFFAOYSA-N 431.480 2.087 30 10 IEEE COc1cc(Cn2c(-c3cccn3C)nnc2N2CCC(C#N)CC2)ccc1OCCO 1299882253 DQCZNWYSYCSTFW-UHFFFAOYSA-N 436.516 2.452 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1300275089 PTUWFVLATVVHCA-GJZGRUSLSA-N 425.468 2.226 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300498398 JZQIOKVFVTZFBV-PMACEKPBSA-N 430.574 2.229 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)NC 1300648934 HXSUYGLYEJJOER-UHFFFAOYSA-N 447.561 2.259 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C(C)C)CC1 1300719201 RKEPBVCSPYEYRB-DEOSSOPVSA-N 434.544 2.190 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301058601 CZYIDGRHSDBKAS-RIFZZMRRSA-N 436.944 2.240 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1301155560 PSGIBBTZSJNROI-UHFFFAOYSA-N 445.637 2.494 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1301166177 QRSZWQJSFYANEN-NTKDMRAZSA-N 436.560 2.462 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1301624267 SYXXQQMNQWIQQH-RXVVDRJESA-N 432.594 2.026 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)C3)n2Cc2ccc(C#N)o2)cs1 1304670658 QWXPRQHSCCRUPX-UHFFFAOYSA-N 439.545 2.451 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCSC1 1314681872 IBAXWWBOKVQXSR-WMZOPIPTSA-N 446.602 2.040 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CC1 1315054580 GZYKAZXCMSTILI-KRWDZBQOSA-N 425.562 2.421 30 10 IEEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1316032442 BKOATOSCRROWEP-AYOQOUSVSA-N 429.546 2.428 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)CC1=O 1316114999 HESGVCDZUZZSCT-LJQANCHMSA-N 437.548 2.274 30 10 IEEE C[C@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1349939389 ADJQUVTXNAGHCO-GFCCVEGCSA-N 435.424 2.137 30 10 IEEE N#Cc1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1Br 1352746621 GSMBVIKKAPWXHD-ZIAGYGMSSA-N 427.320 2.129 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)c(C(=O)OCC)c1C 1352793245 LRWDQUSFQZUOIK-QGZVFWFLSA-N 433.479 2.041 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359295035 MYORRECJSJUUBR-UHFFFAOYSA-N 434.422 2.013 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC 1359301119 SDLQLJLZRLZRHG-MRXNPFEDSA-N 436.557 2.125 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1359307918 YDTRSIUNQUQJHW-RBUKOAKNSA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCC(OC)CC2)C1 1359312179 PAFAINGCUIBRDM-LJQANCHMSA-N 448.612 2.087 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1359754202 AFDPUANFTXUYOQ-XJUMHSELSA-N 442.564 2.398 30 10 IEEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1459718383 QZXZCOTZYDNIRI-GOSISDBHSA-N 448.498 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC(Nc4cccc(C#N)c4)C3)=NO2)C1 1470624354 SLNGAUFPEVUZHD-QFIPXVFZSA-N 425.489 2.337 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1499879114 LCTSTORGYFQVPG-NTKDMRAZSA-N 449.559 2.180 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1504658977 FBXHMBCSGICKIJ-UHFFFAOYSA-N 449.515 2.304 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1505237639 VJMIZIDGCHOXMV-NZKCYVOASA-N 434.566 2.234 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1507654161 WWUIKTNACIAQAV-SFHVURJKSA-N 440.504 2.004 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1507733062 XGZZXPMQQBRRTR-CYFREDJKSA-N 441.576 2.418 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507951413 QXZQKARENBVEPA-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCOC1CCCCCC1 1508410677 FXJRBCJBCHNQTR-HOTGVXAUSA-N 426.587 2.224 30 10 IEEE CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1515486080 ROIULJDGXGNICX-UHFFFAOYSA-N 441.580 2.469 30 10 IEEE COc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1518369309 DZQVFDUSNYLKKX-KRWDZBQOSA-N 437.504 2.072 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CC=CCO2)c1 1519513209 WOFIAKOOJCSSBQ-OXQOHEQNSA-N 431.493 2.136 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1520669134 VUEOOIDIPBBGKO-LSDHHAIUSA-N 436.475 2.343 30 10 IEEE N#Cc1cccc2c1CCCN2C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1527653839 VCZUAXKOSFMKOZ-UHFFFAOYSA-N 429.473 2.311 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)c(C)c4ccccn34)cc2S1(=O)=O 1532939258 WLXLROCUPRIFEY-UHFFFAOYSA-N 438.465 2.163 30 10 IEEE Cc1c(C(=O)Nc2nc3n(c2C#N)CCOC3)nnn1-c1ccccc1Br 1537679928 QBDZUKHQRTULAT-UHFFFAOYSA-N 428.250 2.189 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)noc1C 1539154679 MLKDXAJOYULWJD-UHFFFAOYSA-N 442.545 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1539338031 UHEWTNQKQVYTND-UHFFFAOYSA-N 444.532 2.284 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2sc(C)nc2C)CC1 1539428670 VMOOLCMFTCPIHB-UHFFFAOYSA-N 429.594 2.073 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539516716 AWCBMBJPSQXIMY-UTKZUKDTSA-N 430.578 2.024 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539526442 JWCQRIYUJSQYJW-QGZVFWFLSA-N 434.587 2.155 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1540004580 BEQVAWKVQDAZKC-ROUUACIJSA-N 425.599 2.450 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1540170959 UBCRCNOGABXAAZ-WZONZLPQSA-N 439.564 2.170 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540865183 XKYQGXNUHGLOEY-OAHLLOKOSA-N 425.411 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1csc(C)n1 1540903284 CCMQUEQTMOSUGX-DOTOQJQBSA-N 437.591 2.489 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CC1 1541803374 HBFQQHQUYCWDMV-MKTHODDLSA-N 442.593 2.102 30 10 IEEE Cc1c(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cnn1CC(C)C 1542094107 JELAIKBGXMOMDZ-OAQYLSRUSA-N 428.516 2.165 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)cc(OC)c1OC 1542479396 JZAKTLSJTSLVAA-QWHCGFSZSA-N 429.395 2.194 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)N3CCc4ccccc43)C2)C1 1542658901 MLXCDQRLJAPQTE-JZGPVCMCSA-N 438.528 2.479 30 10 IEEE COCCOCC(=O)NC1CCC(C(=O)Nc2c(C)c(C#N)nn2-c2ccccc2)CC1 1544577825 IASMVRJLZGKGCT-UHFFFAOYSA-N 439.516 2.329 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1)c1cc[nH]n1 1544873327 YFDNDIWVFWUYEC-UHFFFAOYSA-N 449.895 2.371 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H](C)O1 1546769376 FFFIDBJWXZDLBW-VQIMIIECSA-N 438.532 2.259 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn2ccccc12 1548307943 FSGSCHAJHHBKSH-UHFFFAOYSA-N 449.540 2.384 30 10 IEEE COc1ccc(COCCn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cc1 1554953252 MWZHKPXFRQCUAL-NRFANRHFSA-N 425.468 2.346 30 10 IEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1555860142 BYYHSGLMJGKOCI-UHFFFAOYSA-N 446.602 2.184 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 1557384490 PQHZWBVFNJVFRA-DHIUTWEWSA-N 428.492 2.486 30 10 IEEE CC(=O)N[C@](C)(C(=O)N1CCc2c(CC#N)cccc2C1)c1ccc(S(C)(=O)=O)cc1 1557817655 XFUSGJXDHAMHOX-QHCPKHFHSA-N 439.537 2.092 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C1CCOCC1 1561770906 PGJYXEKXBBFILB-AWEZNQCLSA-N 434.283 2.082 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 1564924213 HEYCKFUZVRKALO-LJQANCHMSA-N 428.533 2.230 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCO[C@@H](c2ncon2)C1 1567518285 CECHYSYPBLSFPF-MSOLQXFVSA-N 439.472 2.376 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H](C#N)C2CCCC2)C1=O 1583395640 QKJBIMSZYGUQHA-KXBFYZLASA-N 433.306 2.415 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 1583811819 MZXMJZDIPLVVEO-SLFFLAALSA-N 427.501 2.032 30 10 IEEE Cc1c(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc(Br)c1C#N 1584360428 IGRZTPPJHBUWOD-MUIFIZLQSA-N 432.274 2.120 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1584481975 ICNGPMDUNXYQSI-MJGOQNOKSA-N 440.525 2.040 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1585916787 MYQFWBMDUGCPHL-MZLICYQSSA-N 440.544 2.249 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@@H]1C 1587631439 CSMVGNSURMWTAY-YGKZAACZSA-N 447.580 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1587767490 NLLHAIYOIYNUQD-NYHFZMIOSA-N 432.496 2.106 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1587945228 ITTPHWKJCLWVGX-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1588266477 QSBDHSKTYWCTSP-BZSNNMDCSA-N 438.642 2.104 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1C 1588647528 WMFOHWDOADPZOH-UHFFFAOYSA-N 446.559 2.290 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1594820145 VNENPCKLCOGTBD-QHCPKHFHSA-N 425.533 2.187 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1595556071 MSWFADMRYKLERL-QAPCUYQASA-N 433.940 2.065 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1595569268 DBSQNXGGZBPSSY-IBGZPJMESA-N 434.548 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2cnn(C)n2)C1 1595688966 QVHLSLHXVCEIAY-IBGZPJMESA-N 438.492 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1595707314 VMVCQOCMWDEXEC-UXHICEINSA-N 425.581 2.147 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](Cc2ccccc2)OC)C1 1595715471 WYNOENHBSHBRJL-HSALFYBXSA-N 425.533 2.268 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnnn1CC1CC1 1596848692 BPPJZUSLTIEMEZ-QGPMSJSTSA-N 427.557 2.237 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCSCC1 1603682670 ACABJCBHSYMEEP-UHFFFAOYSA-N 440.621 2.119 30 10 IEEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1611151397 FARDNUJPCUSYBW-QGZVFWFLSA-N 441.561 2.084 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1611293162 WGONDRGAGFOVLX-RDCVWBNRSA-N 440.895 2.258 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1614348863 DBFWZAVTSQRSPV-QGZVFWFLSA-N 449.559 2.180 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cccc(OCC(N)=O)c2)C1 1618641853 FPEOPYQBMYZFAU-UHFFFAOYSA-N 429.274 2.260 30 10 IEEE CSCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1620295497 HSQOVMPYSJTQIN-KRWDZBQOSA-N 449.588 2.394 30 10 IEEE C[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)CCN1C(=O)c1cscn1 1625863770 QCDAHMQZYHREMF-HNNXBMFYSA-N 425.514 2.497 30 10 IEEE COc1ccc(NC(=O)N(C[C@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)cc1C#N 1627000612 CBLFKCLKHGPLPR-IBGZPJMESA-N 440.500 2.277 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(CC#N)cc1 1627487332 FQLYJRCTWZPYQM-LJQANCHMSA-N 447.944 2.256 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nn(CCCOC)cc1C 1627920135 MAPAKGLCXYRFBT-QGZVFWFLSA-N 447.561 2.464 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3c[nH]c4cccc(C#N)c34)CC2)cc1 1628560974 MNWMLFBOMVVINE-UHFFFAOYSA-N 431.496 2.236 30 10 IEEE C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1628690237 ADYTUMKTWKAECH-UHFFFAOYSA-N 441.553 2.088 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)OC(C)(C)C)C3)cc1 1632915236 NCJNYSQBAAXNOI-SNRMKQJTSA-N 447.557 2.116 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 1635669466 MCQATPPIVGIDSO-JKSUJKDBSA-N 427.526 2.247 30 10 IEEE CN1CCN(CC2(C)CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1638236633 SYVQITWXYKFBRA-IBGZPJMESA-N 435.613 2.450 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)C1 1638396897 AURYHIUACJYRFN-GOSISDBHSA-N 426.496 2.332 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)CC1 1643369686 IUQRVYHLBNXJGX-UHFFFAOYSA-N 438.509 2.029 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1649669331 BYPKZJOGKJKZBS-DSGGYQJVSA-N 440.479 2.226 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3cc(O)nc(O)n3)C2)n(Cc2ccco2)c1C 1654081305 SILSNXLOUBFUAZ-HNNXBMFYSA-N 436.472 2.247 30 10 IEEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C(F)(F)F 1660037965 NYHQGXOQWQFUDT-HZPDHXFCSA-N 435.406 2.356 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 1677879349 GNEZYJMHCUIUCT-GOSISDBHSA-N 442.541 2.335 30 10 IEEE C#C[C@@H](NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 1686917952 AAAHENQHISPUBE-LJQANCHMSA-N 434.949 2.440 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@@H]2CCOC23CCOCC3)nn(-c2ccc(F)cc2)c1N 1687811140 OEJXIYFZWVRAFJ-LJQANCHMSA-N 442.495 2.035 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1689887194 RZTWQVPIZGWAKH-LJQANCHMSA-N 426.565 2.262 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689970958 JCORTOHGVNRODY-MSOLQXFVSA-N 433.603 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCc1ccco1 1690026577 FIHCRYQQWQWXEI-UHFFFAOYSA-N 431.496 2.456 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C 1690255084 NWWTWBSGVANNAR-ULQDDVLXSA-N 430.553 2.030 30 10 IEEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1690531523 PFGFIBYHGMABIO-QGZVFWFLSA-N 428.562 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCN(CC)CC2)C1 1690684880 QJBOBLZWMHEECP-FQEVSTJZSA-N 430.597 2.417 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690740162 LCSABDVAKOWZSB-MRXNPFEDSA-N 436.607 2.025 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1692424610 OKNFJYXASBYSLB-IBGZPJMESA-N 449.559 2.036 30 10 IEEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1695390305 DGJVWYZGEHUDFD-UHFFFAOYSA-N 431.500 2.496 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@](C)(O)c2ccc(F)cc2)CCOC1 1696053153 GMOBPMDBAYCFEL-BHDDXSALSA-N 447.486 2.419 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)C1 1696926777 FOHBFDAZWODKSP-XMMPIXPASA-N 445.527 2.443 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC[C@@H](C(F)F)N1CCOCC1 1705556928 IJEOTWIIXLSZBK-KRWDZBQOSA-N 437.466 2.422 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1705562632 GYTIXYYJOLLKHA-SFHVURJKSA-N 432.546 2.007 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccsc1 1705608185 HGKMLVJCUGFWDY-NRFANRHFSA-N 434.529 2.350 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1csc(C)n1 1705621626 JHACJFICWLVMON-UHFFFAOYSA-N 425.518 2.019 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCOCC2)CC1 1705659207 OLGSSWBZTZEIMT-UHFFFAOYSA-N 426.590 2.316 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705694263 QAGSEKWFSGZXFX-QUCCMNQESA-N 439.564 2.203 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705701273 FVJCMVARSDSGHD-IPJJNNNSSA-N 444.624 2.247 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705737913 FKCSBQLRRFJVCZ-UHFFFAOYSA-N 441.580 2.415 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1705792153 NXAWNJSINDJGCY-IRXDYDNUSA-N 425.599 2.450 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1705864617 HLFKEQSBVMMPSP-IBGZPJMESA-N 449.552 2.353 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705908390 AVWIMUVJBBHFBX-LJQANCHMSA-N 443.523 2.145 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@]2(CCOC2)O1 1706751740 SYNDSEYABDHOGN-WHSLLNHNSA-N 444.561 2.346 30 10 IEEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1708331512 DVMFROFFPSPRHC-PGRDOPGGSA-N 436.520 2.323 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1COCCO1 1708530975 NZSZPXMNXDHMPG-IEBWSBKVSA-N 425.537 2.190 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1711162836 JMVLJMZOJHTBEV-PKOBYXMFSA-N 438.532 2.116 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@H]2C)cc1 1711884577 BXJNSNYXRJNRMS-FUHIMQAGSA-N 427.505 2.267 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCCOC[C@@H]2CCOC2)c1 1712878779 RLEKNKFBOZQOSW-FQEVSTJZSA-N 425.533 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722275609 AKXLANIHPBBJRO-OPAMFIHVSA-N 433.553 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CS(C)(=O)=O)c1 1722306448 SJDJBDZRKXKFLS-VDGAXYAQSA-N 446.573 2.053 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CC2)c1 1722308727 FBOXJZCBISPGOP-QGZVFWFLSA-N 438.557 2.181 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722360493 IDWQHUABFMMGNZ-GCJKJVERSA-N 443.573 2.090 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1722372554 ZAWCVZQHVIDAJC-KRWDZBQOSA-N 432.521 2.053 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1722411981 SSPNFRMEBSVNJM-MRXNPFEDSA-N 444.557 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nncn1CC 1722421739 SSPNACOOBCGXDP-UHFFFAOYSA-N 431.504 2.081 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)C(=O)C1 1722452234 NJLKNAZAIBWZJJ-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1722528120 GHXVAPNQLVEPSE-UHFFFAOYSA-N 438.532 2.141 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1722550329 IFFZRZRDVOMSQP-KRWDZBQOSA-N 428.924 2.381 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1722736668 DXWQDNXKAUBHCQ-UHFFFAOYSA-N 447.634 2.212 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1722742695 CQVLBJWEBDPEMK-UHFFFAOYSA-N 445.637 2.360 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC(C)(C)C2)CCOC1 1722864745 WMIXBRBDOKSCNG-PGRDOPGGSA-N 434.585 2.025 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1723629012 DILCISBREOTFST-HXOBKFHXSA-N 438.532 2.116 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1727126671 GTFTVLKXJIMGCW-NQIIRXRSSA-N 430.578 2.499 30 10 IEEE CCC1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1727767377 SAODEOYFOAVTAK-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1729647388 DSVLPBRDRNLRHN-AUSIDOKSSA-N 436.516 2.036 30 10 IEEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1730665468 GEDMFKMJLVVBHZ-UHFFFAOYSA-N 446.577 2.105 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740569828 QPYDVSRQZJOACZ-SFHVURJKSA-N 426.542 2.384 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1740628814 URMJWKHSJGCTEP-UEKDZROGSA-N 439.541 2.322 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C(C)C 1740652904 RHBMZYSBHHYOIN-JOCHJYFZSA-N 442.589 2.108 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(Cc2ccc(F)cc2)CC1 1740684030 IUFHJLXVTKFNGK-LJQANCHMSA-N 425.508 2.477 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740720455 ZEDFPJPJUNGTIA-IAGOWNOFSA-N 444.630 2.309 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740791176 XDPSZAHOVONQKU-AEFFLSMTSA-N 427.505 2.481 30 10 IEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740796055 MEDNSVWSZSOZND-LJQANCHMSA-N 443.573 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(CC)CC)CC1 1740955514 WSIBFFSFIIZBLX-UHFFFAOYSA-N 440.548 2.287 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1740960875 DWWWEJDIGVYMPL-IBGZPJMESA-N 425.464 2.481 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCN(c3nc(CC)ns3)CC2)nnc1C(C)(C)C 1740965002 KPDSSHQRMGWKBK-UHFFFAOYSA-N 432.598 2.008 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1741131164 DMGLBPPYUNKZJQ-PXNSSMCTSA-N 426.521 2.109 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1741132567 IEZAHHCZWPAUEF-KRWDZBQOSA-N 438.557 2.453 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1745008646 BNZHCDYRUOROEM-MEUCICPISA-N 441.561 2.142 30 10 IEEE CNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1748072068 FRZRKZSDJBUEFI-CQSZACIVSA-N 445.955 2.372 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 1748133364 GVUPPBITNYWYAW-QHCPKHFHSA-N 449.490 2.392 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)C1 1748191115 PALRYWXYPFDOPR-HNNXBMFYSA-N 438.463 2.472 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN1CCCO 1748647636 RAIOCCLGSPZJIF-RDJZCZTQSA-N 449.397 2.351 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748844309 QZVYDOAQOHKIRN-PZJWPPBQSA-N 434.544 2.261 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1cccc(OC)c1 1748901008 OWPOYBTVVZCAHM-IBGZPJMESA-N 435.528 2.340 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OC)CCCCC2)CC1 1748972047 APDSLFUOWPJMQM-UHFFFAOYSA-N 437.548 2.030 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1748993691 IMGWAMWJXWUQRP-UHFFFAOYSA-N 433.535 2.273 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749043268 FVDFXWNLMYLTFN-IXDOHACOSA-N 445.614 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS(=O)CC1 1749658164 HGXYMUJBNUETGD-AWEZNQCLSA-N 433.603 2.002 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749703629 LYBNOTUTPQXURE-RBUKOAKNSA-N 445.589 2.316 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1749749496 MJFBESNOOTYMJN-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1750388133 KNQSTQVNXUKBPJ-HUUCEWRRSA-N 446.449 2.223 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1752062203 KWGJQEUYZYNRQA-MCQGMECGSA-N 435.532 2.415 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1760188814 DFPHKUDRQRERJH-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)on1 1760216184 DFYHYIXPACTPGU-UHFFFAOYSA-N 441.495 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(Cl)nc2)CC1 1760267842 CDTYOGFQDICBIZ-UHFFFAOYSA-N 435.919 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)c2ccccc2)CC1 1760269103 YJIZOJCATMQNBP-GOSISDBHSA-N 431.544 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1760294533 ZTOHRWOAYJADGG-BFUOFWGJSA-N 433.438 2.273 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1760457520 VWHGFPYAFPARCW-INIZCTEOSA-N 431.537 2.314 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1)C1CC1 1760473710 CXHQXNCELZUFFN-LDLUVENISA-N 448.614 2.262 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1760523537 BFPMYJPQIROCBF-UHFFFAOYSA-N 436.560 2.261 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1760523857 JKTLMXBZVQDURE-HXUWFJFHSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(CC)c1 1760525127 VJTAJORXHTZGEV-UHFFFAOYSA-N 429.475 2.302 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1764565868 RYBHJPPADWKTOD-HNNXBMFYSA-N 447.337 2.271 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(C#N)c1 1766726682 DYXDHHHSBMLOOB-UHFFFAOYSA-N 439.545 2.096 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1767511408 DIBZCVCZPFTANT-IEBWSBKVSA-N 429.521 2.486 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1767866155 POTVLOJJMPXPNU-ROUUACIJSA-N 436.516 2.121 30 10 IEEE CCOCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1768073938 YBHIUZJGTFXWAV-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC(=O)N1 1769822714 NANZNBIRCOZMPD-OAQYLSRUSA-N 445.527 2.067 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccncc2Cl)C1 1770727529 NVGUUXZHEFWLRU-IBGZPJMESA-N 426.843 2.464 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccncc2Cl)C1 1770727763 NVGUUXZHEFWLRU-LJQANCHMSA-N 426.843 2.464 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccncc2Cl)cc1 1770740028 GYFZXOVJTXVNQS-UHFFFAOYSA-N 428.905 2.148 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C1 1771527782 FJHUHDJJKPQYNL-QFIPXVFZSA-N 448.462 2.396 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CCO1 1771536966 FUZFIZAFZVJWJW-DZGCQCFKSA-N 438.385 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1772660367 IGEZVBHWINOLGH-LPHOPBHVSA-N 434.562 2.416 30 10 IEEE CCCCN(C(=O)[C@@H](C(C)C)N1CCS(=O)(=O)CC1)c1nc(C)c(C(C)=O)cc1C#N 1851783272 WAQNGPAROBVHTL-HXUWFJFHSA-N 448.589 2.352 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)cc1Cl 1853608034 MGPDCVXDHBSGLL-UHFFFAOYSA-N 446.916 2.367 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(CCC(F)(F)F)CC3)CC2=O)CC1=O 1855589656 BLCYIKZQZXCPNL-IRXDYDNUSA-N 429.483 2.451 30 10 IEEE C[C@@H]1C(=O)N(C(=O)COc2ccccc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855735727 RSOALTIUWKOZMX-CQSZACIVSA-N 447.900 2.039 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(F)cc3Cl)C(=O)O2)CC1 1856652925 IRTOPIAJDXHEAP-HNNXBMFYSA-N 429.857 2.005 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCCCC3)cc2)c1 1858661634 LLNFULCLDAVHDO-UHFFFAOYSA-N 426.498 2.372 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)nc1C 1865943179 GGQJGLWXHRZBKM-UHFFFAOYSA-N 435.483 2.113 30 10 IEEE CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867603676 UXUUUMIWHNKILJ-RBUKOAKNSA-N 428.514 2.256 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1963875223 CGEJWQCSJLCXON-LSDHHAIUSA-N 427.542 2.332 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1985008799 YFDPKWMRKATIJN-OWCLPIDISA-N 427.542 2.190 30 10 IEEE C[C@H](C#N)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994711913 GKMWMCXUJZZLPY-MJGOQNOKSA-N 436.578 2.187 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC(CO)C1 2073620215 SXEANVZRWDSYOD-MMXNSUMOSA-N 436.358 2.203 30 10 IEEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661724 SDBZRMJWUYSTRC-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2124535247 WAZQOKZGQBUZNU-NRXISQOPSA-N 447.345 2.138 30 10 IEEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccc(Cl)c(Cl)c3)s[nH]2)OC1(C)C 2166416756 DCZONVCSYLJXDD-UHFFFAOYSA-N 436.151 2.367 30 10 IEEE N#CC1CCN(S(=O)(=O)N2CC=CCC23CN(C(=O)OCc2ccccc2)C3)CC1 2207808323 KTWFIGKHDUYRIX-UHFFFAOYSA-N 430.530 2.120 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2224101214 HJNQDWWZEIPYCV-ZACQAIPSSA-N 431.342 2.427 30 10 IEEE C=CCn1ncc(NCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2238454075 JMENGEMJFYEOEA-GOSISDBHSA-N 443.342 2.366 30 10 IEEE C=C(CS(=O)(=O)Nc1nnc(CNC(=O)OC(C)(C)C)o1)B1OC(C)(C)C(C)(C)O1 2247903268 FPKPCNSDHBOJJL-UHFFFAOYSA-N 444.319 2.024 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255629862 BTJQGQZCIRVGBY-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE CC1(C)OB(c2ccc(CS(=O)(=O)NCCNOCc3ccccc3)cc2)OC1(C)C 2255804122 ZEAZOQUOBGXDEQ-UHFFFAOYSA-N 446.378 2.127 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997393 UGMAHLRHDPJZLT-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267005186 KVZVNAIAEAOVEP-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267141990 OBNHHJVBPSUVDN-HOYKHHGWSA-N 436.365 2.351 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CN(Cc4ccccc4)C[C@H]3C(F)F)[nH]n2)OC1(C)C 2267190985 VZQCCOFUCTXYIZ-WBVHZDCISA-N 446.307 2.204 30 10 IEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267513382 OBLLXZBJEZXBOC-MSOLQXFVSA-N 438.381 2.454 30 10 IEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267518390 FEZHKGMANIIZSH-IIAWOOMASA-N 446.357 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1O)C2 2267726817 QHROELUJRCJDFC-UHFFFAOYSA-N 444.337 2.384 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268704871 CHTDLPBYQYTXTO-GDBMZVCRSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2268723329 RCQKCXCAPRPXPF-UHFFFAOYSA-N 445.325 2.146 30 10 IEEE CCn1cc(C(=O)NCCc2cnn(Cc3ccccc3)c2)nc1B1OC(C)(C)C(C)(C)O1 2282538784 KUVVFOCJBVFVIM-UHFFFAOYSA-N 449.364 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@@H](O)[C@@H](N)C#Cc2cccc(Br)c2)C1 2296228992 FPFNMKBOUJHCSN-BPQIPLTHSA-N 439.350 2.372 30 10 IEEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1 2296586533 COJZTGBEKIEWQX-JOCHJYFZSA-N 449.507 2.400 30 10 IEEE CC(=CC(=O)N[C@H](C)C(=O)Nc1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331915593 NBCHKBDJEIPKKS-MRXNPFEDSA-N 440.525 2.355 30 10 IEEE Cn1cc(C#C[C@@H](NN)c2ccc(Br)cc2I)cn1 2340451208 VELIKEXXOMZQSV-CYBMUJFWSA-N 431.075 2.343 30 10 IEEE Cn1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2352396942 DQNYIMYIYQQIBH-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2366828011 LDIVPUWZOHLMAL-IUODEOHRSA-N 439.306 2.478 30 10 IEEE Cc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 9860535 XELXKGWYBRYUJB-WOJBJXKFSA-N 443.594 2.386 30 10 IEEE COc1cccc(C(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59887646 ONRXRMUNCPEFHL-KEBDBYFISA-N 429.506 2.040 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)c1 108389354 OKSBCEHSBFDCFQ-UHFFFAOYSA-N 425.514 2.213 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 431232344 CHGYAXLYWKVTSX-IVZQSRNASA-N 444.509 2.324 30 10 IEEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 462092323 LXFANKXGUOJUAV-GOSISDBHSA-N 430.516 2.471 30 10 IEEE Cc1ccc(OCC(=O)N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)cc1 462094049 PLAFSPVBQCHKHL-UHFFFAOYSA-N 445.483 2.203 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 464547644 KHFRCHZARMAORC-NJZAAPMLSA-N 436.306 2.224 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC1 468759890 AMWDTHOLWDCYOO-UHFFFAOYSA-N 441.981 2.127 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 479837770 GFJWHVRAXSTIIP-AWEZNQCLSA-N 448.932 2.354 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1 481020206 UGBPSFCOZXXSGX-HNAYVOBHSA-N 428.514 2.193 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 485729735 BKHWLZOXZBHDTP-SVIJTADQSA-N 448.495 2.065 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)CC1 492335423 FKQQNQMLVOHCOP-UHFFFAOYSA-N 430.940 2.104 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 505356370 VJKYXGDYTZXCPL-SFHVURJKSA-N 442.560 2.317 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(CC)s2)CC1 508849211 PSENLHICKCTZRL-OAHLLOKOSA-N 438.623 2.020 30 10 IEEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508917661 KFEVEGLNRHUTON-UHFFFAOYSA-N 428.500 2.100 30 10 IEEE C=CCn1c(-c2cccn2C)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 508944122 BGVRYGHFAJEJPR-UHFFFAOYSA-N 427.534 2.429 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1 510477780 FVTBRZDGAHDTJP-QUCCMNQESA-N 428.514 2.046 30 10 IEEE Cc1ccc(-c2nnn(CC(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)n2)cc1 522208581 GATRODUJIGGOPE-GOSISDBHSA-N 433.497 2.060 30 10 IEEE CCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540695301 IWHFAGJNGWRPGN-UHFFFAOYSA-N 448.548 2.198 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cc(Br)c4c(c3)OCCO4)CC2)n1 544831602 HEQOIJDLSBJVNQ-UHFFFAOYSA-N 429.274 2.449 30 10 IEEE CCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549095219 RFBYMFBCEKGERN-UHFFFAOYSA-N 426.502 2.249 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]2CCCC[C@H]21 550453338 TXVQLVALQFVWQG-DVJXIFHOSA-N 444.624 2.024 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 555269656 ZNPYZBLEHFLCHZ-DZGCQCFKSA-N 435.554 2.109 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 576434676 KATZACYOVLSTIY-UHFFFAOYSA-N 440.525 2.098 30 10 IEEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C#N)cc3)CC2)c(OC)c1 604037158 SFYCJFAYNFJHBC-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H](C)OC)c1 730144177 HUKHJOZZNJEZHU-APWZRJJASA-N 430.574 2.092 30 10 IEEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C 731310166 BSJVRPYORROOBU-QGZVFWFLSA-N 426.498 2.407 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)C1 732650268 LPOCXAUKKNASCK-MBOZVWFJSA-N 430.574 2.166 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCN1C1CC1 733854434 RKPPENUNEXVXSP-CYBMUJFWSA-N 430.814 2.418 30 10 IEEE COC(=O)[C@H](OC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(C#N)cc1 740198276 DGKFJNHFBVXYKA-QGZVFWFLSA-N 429.479 2.318 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(OC(F)F)c(Cl)c1 741339842 BUNSOHROFDMWLZ-MSUUIHNZSA-N 443.790 2.340 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccn2)c1=O 743726385 PDCLFJFMDLAQOY-UHFFFAOYSA-N 436.562 2.185 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCSc3ccccc3)cc2C1=O 744302785 QMODTFLODSUNDC-UHFFFAOYSA-N 430.507 2.321 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)c1cccc(C#N)c1 751674051 BXYJUPNPYIYGBB-MRXNPFEDSA-N 442.229 2.368 30 10 IEEE CCn1cc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)c([N+](=O)[O-])n1 754810897 UBLDFIBMZOQYCH-UHFFFAOYSA-N 431.224 2.222 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)cc1 755932315 LAZYDLYBBVWMFU-AWEZNQCLSA-N 442.538 2.459 30 10 IEEE O=C(NCC#CC(=O)N1C[C@@H]2[C@H](C(=O)O)[C@@H]2C1)OCC1c2ccccc2-c2ccccc21 757541302 RVTRWECWECQYGT-JHDGKUDLSA-N 430.460 2.318 30 10 IEEE CCc1nn(C)c(OC)c1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 763451223 XBUDPAJBOCKMPB-MRXNPFEDSA-N 433.509 2.398 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 771291771 MFGBWJOEFBOZBL-GNCLFBLESA-N 437.566 2.316 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 771639000 SAJDOBSBRNCGQP-VLIAUNLRSA-N 431.489 2.089 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)cc1 777812496 BPUHIWOQKHVVGM-LJQANCHMSA-N 449.536 2.403 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCc2cn(C3CCCC3)nc21 780442624 OIFGSVDSCWISCC-QGZVFWFLSA-N 427.530 2.231 30 10 IEEE CCN(CC)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787057677 WZYGHZHFIXJKPD-GOSISDBHSA-N 429.477 2.094 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccccc3)c2=O)c1 794616402 HKIGANXKSRUUFO-FQEVSTJZSA-N 440.524 2.379 30 10 IEEE C[C@@H](C(=O)O[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)n1cnc(C#N)n1 798743148 ZLNPLCWCIBCDRE-XOBRGWDASA-N 433.424 2.040 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)n(Cc2ccccc2)c1C 798746451 ULKQZPQAHGHGIZ-INIZCTEOSA-N 431.456 2.231 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 800773802 MNKPXFDMHPAEOG-IBGZPJMESA-N 438.532 2.482 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2C[C@@H]2C(F)F)C1=O 807932307 XABIPKHIOMTNJO-KKUMJFAQSA-N 428.480 2.479 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 809921847 PKEDQDVXPFOCBS-HXUWFJFHSA-N 426.565 2.238 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(F)cc1 812865084 LOOUQUCYXNEFPZ-OAQYLSRUSA-N 445.516 2.161 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)c1ccc(F)cc1 813982198 FCOSYZOUZVZWEX-QGZVFWFLSA-N 448.476 2.206 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 816311955 DPINODNXQKQADJ-JOCHJYFZSA-N 433.516 2.002 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccsc2)c1=O 838179420 XIKJRFQOPHMTNV-UHFFFAOYSA-N 426.519 2.012 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 911566434 DQQKHHJZSLYAFN-NGWZKZSWSA-N 431.533 2.414 30 10 IEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1=O 916775609 YIBWOXMWCFSWJH-HNNXBMFYSA-N 447.900 2.219 30 10 IEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1=O 916775613 YIBWOXMWCFSWJH-OAHLLOKOSA-N 447.900 2.219 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)s2)c1 1125189510 WGKKQJRKHJSECG-CYVLTUHYSA-N 441.556 2.217 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1129928512 PPRFZCGTMAHLLC-WMZOPIPTSA-N 437.518 2.011 30 10 IEEE COc1ccc2nc([C@@H](C)NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 1138590355 ZJHXFVHVCPWZOJ-CYBMUJFWSA-N 441.513 2.268 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)OC)cc32)c1 1146586663 IZMILURZMBBZGU-IBGZPJMESA-N 440.521 2.235 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2(CN3CCOCC3)CCCCC2)c1 1149470090 AVFJKNWATGGVPQ-UHFFFAOYSA-N 437.537 2.135 30 10 IEEE CCS(=O)(=O)NCc1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1163652414 QZSDBDJRWSGFHH-NRFANRHFSA-N 426.542 2.348 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C1 1163652607 VNRVBPPQUPBTKV-KRWDZBQOSA-N 430.505 2.299 30 10 IEEE CCOC(=O)CNC(=O)C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 1192368698 GIINENNMUJOALN-MRXNPFEDSA-N 446.573 2.411 30 10 IEEE N#Cc1cccc2c1CN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C2 1195704166 IRMRNIVHTWRZEM-UHFFFAOYSA-N 438.553 2.365 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)cc1 1198250573 GBRIMQXZXBRJFZ-MRXNPFEDSA-N 447.517 2.366 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)c1 1251874099 KWINKVXHSIHSEH-FQEVSTJZSA-N 440.544 2.421 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C1 1254566063 SPDZAEJVUSGVED-QGZVFWFLSA-N 428.576 2.135 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1256625161 CXSUSJPQTYQUCQ-HTZLVSCSSA-N 445.589 2.190 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286314197 APSLBEVDTFFHPA-HNNXBMFYSA-N 447.337 2.490 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1286321744 AIIFVGGDAJOIRK-LJQANCHMSA-N 442.585 2.472 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286326372 BFGKQTINDYAKSH-UHFFFAOYSA-N 429.528 2.425 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286347908 DIXAUSMNGBSTDX-QZTJIDSGSA-N 442.589 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(F)(F)F)c1 1286398728 NQRMRYFBJAZHEM-UHFFFAOYSA-N 433.434 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)CC 1286401124 JJPWTABXDFFWSZ-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CCN1CCOC[C@@H]1C 1286417059 VSFMRNUCAKITQB-IBGZPJMESA-N 439.585 2.373 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2ccc3nsnc3c2)n1 1286470726 BNWMCRCWNLABQV-UHFFFAOYSA-N 436.545 2.376 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C2CC(C(C)(C)C)C2)CC1 1286485054 BPGIOMHMURLLEA-UHFFFAOYSA-N 428.581 2.379 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](COC)OC)CC1 1286488435 YOEKFHGULNFYQO-OAQYLSRUSA-N 439.560 2.135 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286508372 LAMXMJSJKFHPIV-HNNXBMFYSA-N 445.511 2.315 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCC1 1286516654 JQQCTKCUGAHLDJ-YLJYHZDGSA-N 437.610 2.477 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286538883 SUQCTIGNCHGLIB-SUMWQHHRSA-N 426.315 2.459 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)OC)C1 1286550235 ZEJOHLDHPISBOJ-KKUMJFAQSA-N 443.342 2.300 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1286606667 XIQXLNJAFCBKLA-UXHICEINSA-N 436.516 2.271 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286608674 UIHXYJCCKYKSHP-UHFFFAOYSA-N 434.585 2.034 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1286758106 DIVXAEBNBGXZKO-QGZVFWFLSA-N 426.546 2.409 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286768289 XNGNYSSEJRZFSU-HDICACEKSA-N 429.569 2.262 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286788843 HVQAMALAEXLCTA-LJQANCHMSA-N 427.524 2.442 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286791349 RQDUQKJODFLURA-UHFFFAOYSA-N 426.569 2.019 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCC[C@@H]2C)C1 1286797920 DYXHFFAUFDZPFO-GSHUGGBRSA-N 426.521 2.258 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286835502 XOGQZQGPNQHIOQ-KRWDZBQOSA-N 445.593 2.470 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@H](C#N)C3CCCC3)CC2=O)cc1 1288293869 HZMXWVMWYAXQDV-FXAWDEMLSA-N 446.573 2.269 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 1298773568 ITHHMWOULWDCTC-MSOLQXFVSA-N 444.532 2.118 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCOCC1 1299121013 RXBMMZRSGQZKIX-GOSISDBHSA-N 425.570 2.234 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1300338759 GCENAQRVRBTFSS-UHFFFAOYSA-N 442.951 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCO2 1300558735 ATEYWKCSUKPXLX-XMMPIXPASA-N 436.512 2.213 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCC(OC)CC1 1300666341 XKOPDQDHKMSKOL-LJQANCHMSA-N 433.597 2.148 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1300991172 KUSSBOTUCJFXGY-INIZCTEOSA-N 444.536 2.094 30 10 IEEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301259301 GYZDMXRGDNXUJF-SFHVURJKSA-N 430.940 2.329 30 10 IEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCS(C)(=O)=O 1301452447 NOGWQACCMKICQN-INIZCTEOSA-N 441.598 2.450 30 10 IEEE COCCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1301538299 SIJZMHYUENJLGB-FQEVSTJZSA-N 449.556 2.497 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301604098 MDFAVRDGRFDNQM-NRFANRHFSA-N 443.577 2.017 30 10 IEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1303262247 CGIWEZOBHXNFAF-HXUWFJFHSA-N 436.564 2.103 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 1303557319 BYHQOVMZGMSYEX-MRXNPFEDSA-N 427.364 2.217 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3CC2)n1Cc1ccc(C#N)o1 1303844145 DSKFVNCRAGYHFU-HNNXBMFYSA-N 440.529 2.006 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)C[C@H](O)CCO4)C2)C1 1303971279 QBVWXYGRXDNQMK-YHHIVYBXSA-N 433.549 2.306 30 10 IEEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCCS1(=O)=O 1304828551 GQMUVDPIBHVELU-HXUWFJFHSA-N 429.546 2.473 30 10 IEEE CCOC(=O)c1c(NC(=O)N(C)C[C@@H](O)Cc2ccccc2)c(C#N)cn1CCOC 1310522837 BWRKIQULPXBDEN-SFHVURJKSA-N 428.489 2.250 30 10 IEEE CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC 1310523035 GHZKGIAUDXGKDN-INIZCTEOSA-N 449.508 2.315 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1316170709 BAMAXLVEWHUDGF-JLUOLNIDSA-N 444.536 2.075 30 10 IEEE CN(C)C(=O)C1CCC(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 1354818088 NSICFWVNAXPOEZ-NMWGTECJSA-N 434.562 2.333 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OCc2ccccc2)C1 1355820351 CCUQZUNVLWZAMP-RTWAWAEBSA-N 449.511 2.028 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1358885262 GHPSNRZJCQVKSO-INIZCTEOSA-N 435.532 2.001 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1358889900 IMJWVPQKNMWQKN-VDZJLULYSA-N 433.553 2.080 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359221693 KTYWCVUFWNWHTP-LJQANCHMSA-N 427.553 2.476 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359224048 DRQVZQGKRQZAQY-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1359301432 YQZGVFWTLNTCQP-MAUKXSAKSA-N 449.914 2.455 30 10 IEEE C=CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346258 GOYUDEMHWGVYQH-TWOQFEAHSA-N 438.550 2.352 30 10 IEEE CC(C)Oc1cncc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1437208148 FNHVUYOYSUOYPY-UHFFFAOYSA-N 429.502 2.175 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1446280580 LEYNIMUWWNYTHB-UHFFFAOYSA-N 442.479 2.365 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]2C[C@H]21 1448845327 MTBKUYJSEHIVMW-LJDSDSDDSA-N 438.528 2.325 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1454454689 FALAVDKTQUUMSP-UZLBHIALSA-N 429.583 2.120 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1464339218 STLJXKLQWJGUKY-HSZRJFAPSA-N 440.500 2.269 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)C1 1469544948 LHAPAJKQFHKAPC-CYFREDJKSA-N 437.544 2.486 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nn1 1470584240 NDNLAOYRYFTODZ-UHFFFAOYSA-N 448.325 2.182 30 10 IEEE C=CCC1(O)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 1471935994 PQZDYKIMUVSSAW-UHFFFAOYSA-N 431.352 2.243 30 10 IEEE N#Cc1cc(F)c(N2CCN(CC(=O)Nc3nncs3)CC2)cc1Br 1472734341 FPAGYBMLCPTSNK-UHFFFAOYSA-N 425.287 2.072 30 10 IEEE C=CCn1c(SCC(=O)NC2CCN(C)CC2)nnc1[C@H]1COc2ccccc2O1 1472934157 AFCQGQMBGBVISR-GOSISDBHSA-N 429.546 2.279 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCS1 1499783351 ROLYVTJALQNWLK-AEFFLSMTSA-N 426.546 2.339 30 10 IEEE COCCOc1ccc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc1 1505014539 WRSNMTLSLLGPKF-UHFFFAOYSA-N 433.516 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cccs1 1507524115 SMUHHRYGHMPYDZ-BTYIYWSLSA-N 434.529 2.348 30 10 IEEE C#CCN(CC)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507698979 XCCBNSRQXBKMPJ-BZSNNMDCSA-N 433.553 2.299 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@](C)(CC)O1 1507702674 MPWQKMKBSMUKMU-VGOFRKELSA-N 426.521 2.359 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1507820903 PHWQZKBBXJSMHR-RTBURBONSA-N 439.626 2.084 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1507962088 MWNMVJOPBPYCAE-HXUWFJFHSA-N 442.539 2.283 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508083994 FCRHXXRGBAXAHV-UHFFFAOYSA-N 444.605 2.316 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1508092279 AXDAYGPCKISTGQ-JXFKEZNVSA-N 441.532 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1C(C)(C)C 1508147747 BPNLCELWXHGXJO-UHFFFAOYSA-N 432.594 2.200 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1508702988 DWBPWNIQUJABGS-HKBQPEDESA-N 442.589 2.456 30 10 IEEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCN(C)C1 1518522671 CRQPCDBCKWKGHE-IIBYNOLFSA-N 430.578 2.241 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1518872382 GGZMEPLMXYUIIN-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1519331495 VXWKYUDGVPQOBR-IYWMVGAKSA-N 448.612 2.487 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3n2CC#N)ccc1OC 1524880348 VJNBIPDYNULTQD-UHFFFAOYSA-N 442.497 2.350 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1533356827 PVGAVLQXQLPNEP-UHFFFAOYSA-N 446.261 2.352 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)CC 1539390473 PWGMLOVNHYGSMA-UHFFFAOYSA-N 444.536 2.002 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2ccc3c(c2)OCCO3)n1 1539424126 LQCRURXJIXRPNS-UHFFFAOYSA-N 436.516 2.143 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1539498321 SEUWGJFNZUUBDD-MSOLQXFVSA-N 445.564 2.444 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539630229 DGEWUCUVBVDTKK-YTQUADARSA-N 437.610 2.387 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\C(=O)c3ccc(C)cc3)CC2)cc1 1540606106 GOSBMSYLWGXASF-QXMHVHEDSA-N 440.521 2.470 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1540866168 FFMUKPVBVFEFHE-ZFWWWQNUSA-N 437.903 2.280 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)CN(C)C2=O)C1 1540886548 FRACFJAVSMVELD-SBUREZEXSA-N 441.532 2.222 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)CCOC)C1 1540888188 LQZWVXCBVMCYRQ-HTAPYJJXSA-N 430.505 2.243 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1542632685 OWVBBQVEDFCZTG-GOSISDBHSA-N 438.521 2.212 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccsc2)cs1 1542925627 BRDNRZANXLAWRL-LPHOPBHVSA-N 430.559 2.332 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cc(C(C)(C)C)no1 1546527663 NLHHYOYIVWJHMD-UHFFFAOYSA-N 437.552 2.415 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1547245945 XGFZXDLVBBXMSL-UHFFFAOYSA-N 435.488 2.196 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)OC(C)(C)C 1555738954 YDHUUYZIGKIVRG-IRXDYDNUSA-N 434.541 2.267 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1556584647 DFKAPQQTBHUGKP-LZWOXQAQSA-N 430.954 2.195 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn3ncc(C(=O)OCC)c3c2)c1 1558552992 NGAKEYJVDMUYMU-UHFFFAOYSA-N 428.470 2.228 30 10 IEEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC2=O)c1 1558675564 HHTNPLLOGXGGPI-LBPRGKRZSA-N 426.498 2.157 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@@](CO)(OC)C2)cc1 1559983877 ISGUTSOVBAIMCV-HSZRJFAPSA-N 426.517 2.386 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 1561260455 DVLTWUCQZYDSJK-GOEBONIOSA-N 441.347 2.159 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)C1 1565346423 PEIVZNVCBPFCOV-OWCLPIDISA-N 432.487 2.429 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(N2CCOCC2)CCSC1 1583305090 PLZZTIZATBNLKX-DNVCBOLYSA-N 434.002 2.346 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)COc3ccc(Br)cn3)C2=O)cc1 1584787181 GVXURSJTXKGPNJ-MRXNPFEDSA-N 429.274 2.406 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Nc3cccc(SC)c3)cn2)C1=O 1585695548 VWPCHWCYDFHKSK-UHFFFAOYSA-N 425.470 2.462 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)c(C#N)n2)C1=O 1585750555 OUMYIKISQUGFKA-GOSISDBHSA-N 428.246 2.121 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1587862004 RWLKLAWJWNAPKS-GOSISDBHSA-N 433.553 2.209 30 10 IEEE CS(=O)(=O)N1CCc2cc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)ccc21 1588014773 TWDMQXYOULHNMH-UHFFFAOYSA-N 425.510 2.316 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1scnc1C 1588200450 QCANUPLMZFQMSV-UHFFFAOYSA-N 443.540 2.391 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1588812234 QVJJUOBGQQDNRL-PMACEKPBSA-N 439.560 2.403 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)n[nH]2)c1C 1588817679 DLIBQOMLGZTJSO-UHFFFAOYSA-N 445.520 2.423 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC(C)CC2)CC1 1588857499 OMGZHPCXFGTROZ-UHFFFAOYSA-N 427.622 2.121 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594498865 YHGFDYXEHWMWOC-DLBZAZTESA-N 442.568 2.306 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1595013813 KSSSSTBLNYWJRY-MRXNPFEDSA-N 444.502 2.224 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1595261983 YABPMQARKQTUIF-SFHVURJKSA-N 434.562 2.435 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1595551522 RDGRELFVADCPJA-KDURUIRLSA-N 446.640 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CCC)C1 1595778201 WZWTYSRIFROPNS-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccccc1F 1595788608 DLILUSJMTDOYLK-PBHICJAKSA-N 435.525 2.167 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1596822702 MZSIQERKFVFXSR-HBFSDRIKSA-N 439.564 2.436 30 10 IEEE CNC(=O)c1cccc(CCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)c1 1618612990 XDLWGNVUASRCAM-HNNXBMFYSA-N 449.515 2.204 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)cc1OC 1619190919 DFWUVWHRHOPOEY-FQEVSTJZSA-N 426.456 2.086 30 10 IEEE C#CCN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)C(C)C 1620603316 BIAORDZPUHQJHR-WOJGMQOQSA-N 445.566 2.076 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2 1624816177 DNPMMXPFJLHTLQ-PXNSSMCTSA-N 427.501 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCN(c3ccccc3C#N)CC2)C1 1627568732 KPPJGHPKGLTJCX-QHCPKHFHSA-N 444.507 2.182 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1627799875 APSPDTOQYGIVPV-OAQYLSRUSA-N 433.984 2.390 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c1 1628441580 KSHFFUJKSQSREL-UHFFFAOYSA-N 435.521 2.378 30 10 IEEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 1633186475 HQCQZUMOZLCDTE-RUZDIDTESA-N 435.524 2.483 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cn3cc(Br)ncc3n2)c1 1634650518 VPAAXVNCPVGIRO-UHFFFAOYSA-N 438.238 2.180 30 10 IEEE C#CCN(C(=O)CNc1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818453 QRXJGTUWHBTNIT-UHFFFAOYSA-N 449.573 2.363 30 10 IEEE C=C[C@H](C)ONC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1636606765 MBFVXSNITVSPDK-LBPRGKRZSA-N 429.258 2.265 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1649539893 SVLJFGZUBOSXNK-HXOBKFHXSA-N 426.517 2.402 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 1657643057 CYEBGPSJEMAUKW-HXUWFJFHSA-N 432.402 2.325 30 10 IEEE COC[C@]1(C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 1659652809 XZHKOZWAQCHRMJ-HXOBKFHXSA-N 430.549 2.093 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C[C@H]1O 1659950719 MUJQRXIPRHAICL-OAQYLSRUSA-N 438.528 2.222 30 10 IEEE C#CC[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)C1 1667576042 XPFAGZLBDQVPSG-SFHVURJKSA-N 448.589 2.431 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1 1667956113 JASJFALRCAARAH-IBGZPJMESA-N 449.554 2.284 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)n1 1668983307 MKPDMZJUNLEXLC-UHFFFAOYSA-N 437.541 2.285 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc1 1672952634 XFWIIZMCIFZXMN-UHFFFAOYSA-N 426.561 2.222 30 10 IEEE CCCCOc1ccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1Cl 1681647470 WUPKXQGQYKPFSS-UHFFFAOYSA-N 431.880 2.419 30 10 IEEE C#CC[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1685764256 PBHVLJXVFONICY-PKOBYXMFSA-N 426.517 2.270 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1c1ccccc1 1686341210 FGZFTTDBEXUVOS-YPAWHYETSA-N 446.507 2.257 30 10 IEEE C#C[C@H](NC(=O)N1CCC(N2CCCS2(=O)=O)CC1)c1ccc(Br)cc1 1686919596 IVZDWEQZAKGDED-KRWDZBQOSA-N 440.363 2.333 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689993775 LENSEISRJBUBTO-INIZCTEOSA-N 441.479 2.233 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1690011415 OBRMTYXBRVBYHH-UHFFFAOYSA-N 440.555 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCCn1cnnn1 1690037673 ZFVAOKLXXCCQCT-UHFFFAOYSA-N 445.350 2.309 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1690131350 YBRMLFORIGQPAP-UHFFFAOYSA-N 434.466 2.370 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690188808 PRMXLUNOFAGOOT-PMAPCBKXSA-N 430.597 2.296 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 1690236776 QZUAANXQYRKXEF-UYAOXDASSA-N 430.597 2.462 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1690507129 DSNCNEFYABRPAO-UXHICEINSA-N 425.533 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1OC 1690516477 KNPWNVAWDPVDPT-SJORKVTESA-N 448.593 2.220 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1690528265 YRNORBIQSGMQID-IRXDYDNUSA-N 433.553 2.468 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1690744730 STOBYZLZCAEKGL-QGZVFWFLSA-N 434.610 2.475 30 10 IEEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)cc1 1693010240 DJYURANZGCWTDF-UHFFFAOYSA-N 449.559 2.383 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1694030854 QLDDIUQFWCQFFG-CJMKZDRPSA-N 429.569 2.237 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCSC)C1 1695949782 YRKVSPCDHOBOHO-SFHVURJKSA-N 448.618 2.478 30 10 IEEE COCCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1698209072 ACGCUCRZVHAQGR-UHFFFAOYSA-N 441.532 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(CC)c1 1705500371 MEFMBQRYQVITAO-OAQYLSRUSA-N 446.603 2.365 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705508086 JEAREJSKQHZVIM-INIZCTEOSA-N 442.951 2.332 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705566087 XOUYDARJOXAVRR-HOJAQTOUSA-N 428.558 2.123 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567489 XAJHHAQVUNIFJG-RTWAWAEBSA-N 442.585 2.432 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1705612266 DBWAEIDLVIMBML-ZDUSSCGKSA-N 427.452 2.102 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CC1 1705777197 ZFOWHQOPQXARRI-HXUWFJFHSA-N 426.583 2.156 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705805395 GJODNYLYAZTXGP-GOSISDBHSA-N 431.562 2.272 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1705866353 NWFYUEOTPVQMRQ-MRXNPFEDSA-N 431.562 2.318 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705910875 QNDXETGFGOZEOM-IEBWSBKVSA-N 443.548 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OC)C1 1705914208 JADJMRZOSRVTTM-KRWDZBQOSA-N 435.488 2.159 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cl)C1 1705916493 PNHUTTWXOILCNQ-HOCLYGCPSA-N 439.969 2.371 30 10 IEEE CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)O1 1708830148 LTCKURNAQOOYDD-NQIIRXRSSA-N 446.577 2.150 30 10 IEEE COc1ccc([C@@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1711719488 BLVPPJXQEOMWSC-LPHOPBHVSA-N 426.521 2.347 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1)OC 1712160459 ASUWKBOYDNLHEW-NRFANRHFSA-N 442.564 2.311 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1712217623 MGXSFEVMLLAJIZ-LJQANCHMSA-N 441.557 2.424 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)CC1 1722453520 WCZMPONKLYWJSL-UHFFFAOYSA-N 442.564 2.346 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1722599110 TZFFZNNZGSNMAG-YLJYHZDGSA-N 426.583 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(COC)CC1 1722695023 PQLGDYLMCGNVGG-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2F)CC1 1722696258 GYUIMTAIJSRBSW-UHFFFAOYSA-N 435.507 2.416 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1723876261 DXESHCXWVLDWGG-SFHVURJKSA-N 434.548 2.155 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1729647986 HTHHSEWWWWHJHF-JOCHJYFZSA-N 435.488 2.036 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCCC2)CC1 1731011001 HFLCUMXSCXVFAX-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1740549746 GTVCQEJBKXGOFQ-UYAOXDASSA-N 445.589 2.042 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1740552887 YIXQCHOIYMXNKR-MRXNPFEDSA-N 430.516 2.489 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1740600833 OQOPIDTXGWURCG-INIZCTEOSA-N 431.562 2.088 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CC[C@@H](F)C2)n1 1740688620 HCYBJJRFDNQYKM-PKOBYXMFSA-N 440.527 2.300 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@]2(C)COCCO2)n1 1740688795 JQLVWVSAQCEVEE-QHCPKHFHSA-N 444.580 2.155 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCO2)n1 1740689583 YHNUNLBRMVGWMO-TZIWHRDSSA-N 442.564 2.224 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(N)=O)c1 1740733682 KBNJRKKZIJDFIX-HSZRJFAPSA-N 448.552 2.409 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1740785835 FFEMXJCOMSAAJC-MSOLQXFVSA-N 432.569 2.447 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1740790889 YTSVOIVSWJEZPE-QFIPXVFZSA-N 427.505 2.229 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740819717 AYVKUNRDHMWMFL-LJQANCHMSA-N 426.546 2.397 30 10 IEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1740860132 VYEJGZJEOZKCSO-GOSISDBHSA-N 444.561 2.280 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740868165 FTPFXTMFAZZHCN-ZIAGYGMSSA-N 439.504 2.402 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1740891220 VTDLUHXOINVKTC-INIZCTEOSA-N 432.956 2.204 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1740902227 DCJGGBVHKJYMQV-UHFFFAOYSA-N 428.562 2.496 30 10 IEEE C=CCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740950127 PRDLXYTYNIPZEH-IBGZPJMESA-N 445.486 2.400 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740958834 VWJDRXMPFRQXSI-UHFFFAOYSA-N 426.521 2.148 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)cs1 1742562338 WZRMPVPWQNYGAN-MRXNPFEDSA-N 430.626 2.398 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1748316192 JRZUVOQWMDLTSZ-UHFFFAOYSA-N 448.483 2.116 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1748770992 DZIMCJMHFCLMEU-INIZCTEOSA-N 431.924 2.390 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1748829727 IGHDOCHVMSIHOX-MBSDFSHPSA-N 445.564 2.164 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)N(C)C)CC1 1748979713 JNOPQWUALTZAKG-KRWDZBQOSA-N 440.617 2.365 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749134457 YYCXWCHGKWDWFU-HRAATJIYSA-N 440.548 2.363 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1749486815 IAQUPSLGQTZJDT-OPAMFIHVSA-N 432.569 2.493 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOCC2(CC2)C1 1749652457 OLVIGRHTKDSJPF-MRXNPFEDSA-N 429.496 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)CC(C)(C)C1 1749741134 QMBWSTMMTBJXAN-BZSNNMDCSA-N 440.610 2.475 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1750378532 JYYWASINMQUGMT-DYESRHJHSA-N 449.481 2.062 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1750793567 UJEAEQMRKLGWEW-GOSISDBHSA-N 432.569 2.220 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC[S@@](=O)C(C)(C)C)c1 1760127717 JJIJKKCDPAMTDL-WJOKGBTCSA-N 445.589 2.418 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1760208175 LQIDDTUPRVMJTC-NOVUIFNWSA-N 433.578 2.192 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1760298121 WIXLKZGDKRNQGK-OAQYLSRUSA-N 449.552 2.316 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760421385 MZMLXDLTFKYXOT-UHFFFAOYSA-N 439.564 2.198 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760432187 GRGUNYSWMDOHHM-GJZGRUSLSA-N 440.595 2.197 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCOCC1 1760482890 VHUXAPUPAQUXAN-SFHVURJKSA-N 444.555 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1Nc1ccn(C)n1 1760556877 SNUQLZQFWGICKA-UHFFFAOYSA-N 425.518 2.428 30 10 IEEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC 1766849809 GMLCTLSMFMBYAU-UHFFFAOYSA-N 444.586 2.496 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCSCC2)cc1 1767959686 KHPQDAZLKAKGMZ-LJQANCHMSA-N 428.562 2.145 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)CC#N)c1 1769362808 GLVSYUWMLDWNQN-YJBOKZPZSA-N 432.550 2.214 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCc2cccnc21 1769837468 NPECNYRCKRXHTJ-LJQANCHMSA-N 437.548 2.396 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC[C@H]2OC)cc1OC 1770042602 BYMJZBXGGKEZMO-PERKRYKHSA-N 445.495 2.456 30 10 IEEE COCCCN(C)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771040716 SMGZATKPSROFPS-IBGZPJMESA-N 441.555 2.229 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C(C)C)cs1 1771304771 JRXQYPCUSHKLLL-DAYGRLMNSA-N 432.550 2.359 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)ON2C(=O)c3ccccc3C2=O)c2n1CCOC2 1772794879 ZMZWWGHZNJHXDF-UHFFFAOYSA-N 441.440 2.411 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1 1851946368 QYURJDIFRHRMMO-OAQYLSRUSA-N 432.528 2.376 30 10 IEEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636414 VMJUXUTXIOGAIG-HIFRSBDPSA-N 425.457 2.132 30 10 IEEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(c3nnc(C)n3C)CC2)n1 1868246837 QDAUNFWXVBPFSS-UHFFFAOYSA-N 433.520 2.044 30 10 IEEE CC(=O)NCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)c(F)cc2F)C1=O 1873238699 FHFNDMVTEKCVNJ-UHFFFAOYSA-N 428.370 2.304 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1ccc(OC)c(-n2nnnc2-n2cccn2)c1 1873753322 BBQJGOLXBZRABW-UHFFFAOYSA-N 447.455 2.439 30 10 IEEE COc1cc(OC)c(OC)cc1/C=N/n1c(Cc2cccs2)nnc1SCC(N)=O 1874411767 LGTAEQPYXLAUDI-UFFVCSGVSA-N 447.542 2.416 30 10 IEEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(NCCCN3CCCC3=O)ncnc21 1875227063 XXUOZNZEAHOQGU-UHFFFAOYSA-N 442.564 2.276 30 10 IEEE CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H](N=CN3CCCCCC3)[C@H]2SC1(C)C 1903864090 NPGNOVNWUSPMDP-YQQAZPJKSA-N 439.578 2.412 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c1I 2045315823 XSYXFZNRDFXIIK-QWRGUYRKSA-N 443.094 2.189 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060622173 WTTQTSKLUMTAGZ-LVQVYYBASA-N 436.358 2.419 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624634 ZZUBRJRYADIQIS-WMLDXEAASA-N 434.342 2.223 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224093942 PPYGVORYVGSCOD-NVXWUHKLSA-N 433.358 2.411 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1 2255542251 OWOUREAAJZTLBK-SJORKVTESA-N 432.326 2.390 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255850106 SVKGCSQHXKWKJP-UHFFFAOYSA-N 438.330 2.240 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267110217 ARVYKLSPMGFWGA-JKSUJKDBSA-N 446.353 2.086 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2267134629 SCGIRJCPTARPIV-HOCLYGCPSA-N 448.373 2.187 30 10 IEEE CCn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267180531 FXFXKHCCMXXBGO-GJZGRUSLSA-N 448.373 2.330 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2267189621 CTYALXCECJNRDV-GASCZTMLSA-N 448.373 2.061 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267491769 INNOASAANWYQJU-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE CCn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267496391 AQVGMNXMJPIUNE-HNNXBMFYSA-N 448.373 2.235 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1NC(=O)OC(C)(C)C 2267503101 XVHXDHSGPJXGIS-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267586106 FWICIEPUMNCWCV-HOTGVXAUSA-N 443.353 2.224 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267597675 WVISVABHVFOFOJ-QZTJIDSGSA-N 446.353 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@H](O)C#Cc1cccc(Br)c1 2278733046 PNOBDSMDZCRXQU-CVEARBPZSA-N 444.347 2.099 30 10 IEEE CC(=NO)c1ccc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)nc1 2283597257 YVMGODURGLLNOO-LJQANCHMSA-N 434.449 2.046 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2312973864 SNLMABHGVAFJMU-ZOBUZTSGSA-N 436.358 2.441 30 10 IEEE CCN1CCN(c2c(C=C3SC(=S)N(C(C)C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2314435730 FUTMIURVPIAFJV-UHFFFAOYSA-N 445.614 2.317 30 10 IEEE CC1(C)OB(c2cc(N3CC(NC(=O)C(F)(F)F)C3)nc(C(F)(F)F)c2)OC1(C)C 2317355825 FMXYNPGLPJRJHC-UHFFFAOYSA-N 439.165 2.267 30 10 IEEE Cc1ccc(CCNC(=O)c2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 2686697 IAKYVUNJEWPGIC-RTBURBONSA-N 429.567 2.457 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2C1=O 3567740 YWNWPQHZAPZHHD-ZDUSSCGKSA-N 436.420 2.424 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)c3ccc(OC)c(OC)c3)n[nH]2)cn1 59886683 WLNZUKSAYVBEIU-AWQFTUOYSA-N 445.505 2.086 30 10 IEEE CCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC 169907818 JSYGEDAEZOGOBJ-DJKKODMXSA-N 425.850 2.494 30 10 IEEE COc1cc(I)c(Cl)cc1CNC(=O)[C@H](C)n1cnc(C#N)n1 410011457 RZNSIBCCTRHGHL-QMMMGPOBSA-N 445.648 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 437014739 AXGGEXIWRRYMDH-ABAIWWIYSA-N 425.279 2.272 30 10 IEEE C=CCNC(=O)Cc1noc([C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)n1 445332864 JBNSGILHQWEEQP-NSHDSACASA-N 428.308 2.254 30 10 IEEE COc1cccc(N2CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)c1 464948898 FZEPEDMJFYBEPJ-ZWKOTPCHSA-N 435.532 2.103 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccncc2)c1=O 478753079 ITHSTZKFLWPDQL-SFHVURJKSA-N 431.517 2.101 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)c(C#N)c2N)cc1 479684790 BGJXUBWSABBWKI-PGRDOPGGSA-N 438.557 2.137 30 10 IEEE C[C@]1(c2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc2)NC(=O)NC1=O 480559515 UWXAXWDAQABRGG-DNVCBOLYSA-N 427.258 2.498 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 483479616 SXAMSLNLPGUCOM-HNNXBMFYSA-N 437.518 2.196 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 509001127 VTKPLAPSWTZBNB-CVDCTZTESA-N 439.564 2.412 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)CC1 518687310 XCUOBVCOUCPODA-UHFFFAOYSA-N 444.539 2.303 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)n(Cc2ccc(F)cc2)c1C 532586617 YYUNBIWTBXXIBJ-GOSISDBHSA-N 446.548 2.469 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 549652564 KBJGPUOVUVVHMB-PMACEKPBSA-N 445.589 2.256 30 10 IEEE N#Cc1c(F)cccc1N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 549948472 XCDVEBYCSCITQV-UHFFFAOYSA-N 449.530 2.240 30 10 IEEE CC(C)(C)OC(=O)c1cnc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cn1 554969191 GHTDPPBRKNDRLK-QGZVFWFLSA-N 439.497 2.457 30 10 IEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 558993821 KBAFVUFELZBZGF-FQEVSTJZSA-N 425.581 2.147 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 564376756 HJYWFZQURRUTHW-QGZVFWFLSA-N 437.953 2.013 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(c2cccnn2)CC1 582917942 STEBOEIENFTZRI-UHFFFAOYSA-N 446.563 2.145 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 590914329 IAZOLFQFJLFMJU-QGZVFWFLSA-N 445.972 2.017 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)cc2)c(=O)n1-c1ccccc1C 603800012 OQIVOXAQXUVILS-UHFFFAOYSA-N 445.544 2.411 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 615739763 NYKXMBSCVNEGQQ-UHFFFAOYSA-N 444.517 2.131 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)OCC#Cc3ccccc3Cl)cc2S1(=O)=O 747034399 CTBMMBAXQDPOIE-UHFFFAOYSA-N 433.869 2.339 30 10 IEEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)Nc2ccnn2CC2CCCCC2)cc1 754281000 QESHBXJHUSTSFJ-UHFFFAOYSA-N 433.534 2.143 30 10 IEEE CC(C)(C)[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 755378303 ZLIBNBZTYXRTMP-OAHLLOKOSA-N 444.351 2.138 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CCOC)c2=O)o1 760377817 MEDKRFWIQDFPTJ-UHFFFAOYSA-N 438.505 2.106 30 10 IEEE CCn1nccc1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 769866233 RKFSGAFOFAAMTM-FXBPSFAMSA-N 439.563 2.297 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CC(C)C 772897612 JTQOXNDRGKMGOU-UHFFFAOYSA-N 434.565 2.389 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 774184182 BDOWUGBNPUPCAS-DZGCQCFKSA-N 427.320 2.105 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 779853749 AFJCNFFHDGFQIZ-LTGZKZEYSA-N 434.478 2.174 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2ccccc2C(=O)OC)ccc1OC 781517375 DDWRVJUBUQHBQC-OAHLLOKOSA-N 425.441 2.418 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 783865667 GIVFNYOBJNFXAP-QIRNKGDASA-N 438.509 2.464 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 787270291 GDEBUDIHIRYACA-UHFFFAOYSA-N 431.562 2.293 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2)CCN1C1CC1 802245151 CWZSYWVKRWULJR-IBGZPJMESA-N 447.568 2.494 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 802337644 PEJINDYHOPICAI-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 805781303 YKQLGQIRJBBRBV-SFHVURJKSA-N 434.500 2.456 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)c1ccc(F)cc1 812527715 ZAGSJQMWJCDOGB-IBGZPJMESA-N 425.503 2.292 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 831243395 JGDMTIOQIGZZQA-MRXNPFEDSA-N 443.525 2.094 30 10 IEEE C=CCOc1ccccc1CNc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 863992771 LAEPPJSFSFVLPY-SFHVURJKSA-N 436.555 2.329 30 10 IEEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)cc1 1084581079 XAXMFBMTIWXZDF-UHFFFAOYSA-N 426.458 2.474 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1136157432 NYEGGDFMUUZOTF-UHFFFAOYSA-N 435.329 2.336 30 10 IEEE N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1136245499 PGHHYGSJORJHID-QGZVFWFLSA-N 433.468 2.278 30 10 IEEE COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1138222566 CDWOEMLITUURKP-INIZCTEOSA-N 445.497 2.271 30 10 IEEE C=CCN(C(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)[C@H]1CCS(=O)(=O)C1 1142059488 PVBBNNNNEPPDLA-HNNXBMFYSA-N 425.551 2.174 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1152041729 LBEPTOKZZULONC-INIZCTEOSA-N 440.566 2.094 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C[C@H](O)COc1ccccc1C#N 1191671746 CQZIZJGROIERPO-IBGZPJMESA-N 429.542 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(CC(C)C)C1 1286397119 LKOCEMZRTXYPLG-FQEVSTJZSA-N 433.560 2.366 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2cnn(C)c2)CC1 1286472625 UVRZGTFCVGDHLW-LJQANCHMSA-N 449.559 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[C@H]2OC)CC1 1286494955 WKFHYNWYFHHIPA-ZCNNSNEGSA-N 429.565 2.301 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1286540733 CYMKZWHBVSWWDW-AWEZNQCLSA-N 445.383 2.096 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1286667637 LDOSDLAVWXSGGZ-MRXNPFEDSA-N 437.552 2.341 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1286693005 RKXOTQJHYMCRCO-UHFFFAOYSA-N 429.546 2.126 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1286699867 IEOABUUWCCRUBR-LJQANCHMSA-N 427.505 2.052 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1286757907 YJOZVOBRMCVMRE-JOCHJYFZSA-N 441.605 2.499 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC)C1 1286782332 RNFWQVHQZJVCFQ-INIZCTEOSA-N 431.562 2.277 30 10 IEEE Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)cc1 1292749756 DBIAOOGYLURMEU-QGZVFWFLSA-N 432.480 2.455 30 10 IEEE CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294257551 OPTIOHKCVIMMAH-QGZVFWFLSA-N 430.557 2.042 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1298541355 GLMVMYYQIAODNC-CABCVRRESA-N 440.294 2.047 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)cn1 1298840098 DGWQHVXRCLVWBI-IBGZPJMESA-N 436.520 2.053 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N[C@H](C)c1ccccc1 1300271014 GAYBDDPORGTMGM-KSZLIROESA-N 446.621 2.476 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCc2cnn(C)c2)c1 1300333767 COIDAZRWJCTPFW-HXUWFJFHSA-N 447.543 2.205 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cn(C2COC2)nn1 1300443562 JRZOUOWSTKDERI-UHFFFAOYSA-N 442.321 2.297 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1300505673 FGZHMCQOVJDGFB-NRFANRHFSA-N 447.539 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1300570007 WJHCFGHUAATSGX-UNMCSNQZSA-N 442.527 2.365 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(CC(C)C)c2C)C1 1301566061 JMGKDPDIISDCNP-HXUWFJFHSA-N 441.580 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301576194 BEBOJLAODZWTRJ-OAHLLOKOSA-N 439.969 2.456 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1301859249 AMLKEAFPNUCPTC-YADARESESA-N 447.543 2.442 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)nn1 1309607146 TXLDQWXBTRQWKP-UHFFFAOYSA-N 449.714 2.145 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)cc1 1310130812 FQSORHOHZGSVLA-HXUWFJFHSA-N 436.534 2.236 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1cccc(F)c1 1316210038 NKQHKJAGMRBSFC-MDZRGWNJSA-N 433.484 2.337 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C1 1316240021 SVERPDRBKPCSLJ-QGZVFWFLSA-N 425.518 2.267 30 10 IEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CC=CCC2)C1 1316357913 UKJKVECKRLWOLT-RBUKOAKNSA-N 448.593 2.097 30 10 IEEE Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1358084784 OOLTZQRNAGKGOR-XLNRJJMWSA-N 448.505 2.331 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1358963866 PDVLMCMCMGQXRD-IBGZPJMESA-N 430.574 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1358994185 HBEZKYNRKKJGJT-QHCPKHFHSA-N 449.555 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359041055 MGAMUBRTPPTYIL-MJGOQNOKSA-N 428.581 2.016 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359085980 GKBFWBUIIJWEOY-UHFFFAOYSA-N 446.415 2.390 30 10 IEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1359087450 GMBFHQCCOLLWLV-UHFFFAOYSA-N 436.310 2.101 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359159557 YMQBGYBGXWIRDG-OTWHNJEPSA-N 438.642 2.413 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359256982 WJNBSFZAWIEQIH-IBGZPJMESA-N 428.562 2.186 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCC2)C1 1359314748 HJJGFVAAYLYHBC-IBGZPJMESA-N 445.589 2.226 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1360750519 XNSHGKXGVNBLNR-SNRMKQJTSA-N 431.468 2.091 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccnc3c2CC(=O)N3)c1 1441733712 GNHXJUMTVLBNBR-BWAHOGKJSA-N 441.513 2.422 30 10 IEEE C#CCN(CC(=O)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)OC(C)(C)C 1455764718 KBHMCTFASYRPST-ZDUSSCGKSA-N 429.443 2.232 30 10 IEEE N#Cc1c(CCCNC(=O)c2ncc(Br)cn2)nn(-c2ccc(F)cc2)c1N 1464104539 ZMAISVIKYSHQHN-UHFFFAOYSA-N 444.268 2.380 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 1464274440 VFOZTJKYKBNDNB-VUSLFOADSA-N 426.498 2.313 30 10 IEEE COC(=O)[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)Oc1ccccc1 1466174334 DQCXVXWKNHBWSZ-KBXCAEBGSA-N 431.470 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CCC2)CC1 1471132115 JJGOFXWHURLARW-GOSISDBHSA-N 432.565 2.117 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCn2c(O)nc3ccccc32)n1 1492734176 DJJNXJXLLRSPGE-HNNXBMFYSA-N 433.520 2.491 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1C 1497055170 ACJLSSBOQUCRPU-RVKKMQEKSA-N 437.552 2.154 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1501406904 HLEBLOQMWJXLOG-UHFFFAOYSA-N 430.516 2.017 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1501937842 GAKKBCOVJNKVRX-LJQANCHMSA-N 449.563 2.074 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCCC1 1504440822 GCPLFTJQFDAAJQ-IBGZPJMESA-N 440.548 2.470 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1504837594 TUCRCFIIDOPGKG-NRFANRHFSA-N 441.532 2.254 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1507588340 JZBNEJUXBMVUMA-LJQANCHMSA-N 427.574 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC(=O)N(CC)CC 1507646793 YJMAMFKVFBMZHU-UHFFFAOYSA-N 435.528 2.438 30 10 IEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)C1 1507786876 DRJGDXRKTGNHNX-UHFFFAOYSA-N 426.265 2.334 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1507876641 PDWWSUPCEVBEMH-UHFFFAOYSA-N 429.546 2.122 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1508019897 MSRQEAXUHDYFBT-IDYZSHNDSA-N 435.594 2.370 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ncnn2C(C)(C)C)CCOC1 1508410567 FKLHXXGMFORUMT-HRAATJIYSA-N 430.557 2.309 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509181242 AYWBEIRSAXSITB-SQJPUDIVSA-N 428.537 2.010 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)C1 1510308591 WZIRXDMTRWAGKE-OAQYLSRUSA-N 426.427 2.362 30 10 IEEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1514068030 GVQGYHISPMPHIE-QGZVFWFLSA-N 446.577 2.294 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1517089175 TUSGITOYECCVDX-QGZVFWFLSA-N 428.537 2.090 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1517865687 MFGFLOWYYIBLEM-QRQLOZEOSA-N 440.552 2.177 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1519506330 GTMALWVXSPIWMG-PXNSSMCTSA-N 433.509 2.413 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccc(Cl)c(Cl)c1 1538539248 ATMQLDHERBLSFK-SGTLLEGYSA-N 439.324 2.498 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1539013022 HQUMJEPAFWRBHI-RDJZCZTQSA-N 432.546 2.094 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1539172190 VBTPEDQLSLHCMS-GOSISDBHSA-N 449.559 2.026 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539212120 RZTYCAFWOBERCO-INIZCTEOSA-N 432.546 2.005 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 1539617286 VILGANDDOXOFDW-FAJBIJEISA-N 449.577 2.456 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(C)=O)C1 1539752356 KUJAVQLAKLQQFL-IBGZPJMESA-N 437.548 2.214 30 10 IEEE C=C[C@](C)(O)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1540717882 XJHJSEDGTNNQLT-CPPNXCSESA-N 442.440 2.386 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1541710345 KDTOIQWEPBIEFJ-QZTJIDSGSA-N 428.562 2.379 30 10 IEEE CCOCCn1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 1543679250 MLHBBIXSLGVMEL-UHFFFAOYSA-N 425.468 2.061 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)n1 1543692091 LAILDMPQYYKNAD-UHFFFAOYSA-N 427.505 2.476 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cccc(C)n1 1545928630 FUJZGDANGPLTLG-IBGZPJMESA-N 425.537 2.262 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCCCC1 1555664008 NYRBSAGIKBFWNY-AZUAARDMSA-N 446.596 2.264 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1565022724 YZYGLFRWZGYIRV-UHFFFAOYSA-N 428.537 2.480 30 10 IEEE Cc1nccnc1N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1567960833 SZVUKKBRJNHHEE-UHFFFAOYSA-N 441.333 2.204 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1568155005 XHCMAQTVLAAMCL-MBSDFSHPSA-N 432.517 2.426 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nccc(C(F)F)n1 1588088890 BJZJUQQTAGVFRG-OAQYLSRUSA-N 430.459 2.167 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](F)COC 1588133346 DPYBPCWMXSZVIE-GOSISDBHSA-N 433.528 2.450 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1OC 1588253616 BFTRSOXOKGQGHO-UGKGYDQZSA-N 438.528 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](SC)C(C)(C)C)CC1 1588924234 XZIGZAAOHJRNQA-GOSISDBHSA-N 441.605 2.479 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1589427886 YXNJZZYLQKDFCD-GOSISDBHSA-N 433.310 2.203 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1593884240 GISRHGRHUZFICF-OAHLLOKOSA-N 442.010 2.316 30 10 IEEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)C1 1595699952 RJOPSWVKIIYHIP-UHFFFAOYSA-N 443.363 2.387 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1595905307 HACDSRRRPKBYHF-ROUUACIJSA-N 449.621 2.370 30 10 IEEE CC(C)N(C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1607950725 GPRXNEBUMVEELF-UHFFFAOYSA-N 445.575 2.197 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1611780026 FJCMWWFVFZEWLC-KKSFZXQISA-N 430.459 2.353 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1613046898 YVGBVKWAQIHHLD-XXBNENTESA-N 438.532 2.117 30 10 IEEE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1617940310 MREYSLWEDGSCEZ-OAHLLOKOSA-N 427.486 2.035 30 10 IEEE C[C@]1(CO)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c2ccccc2O1 1620475462 AKRRNJQGZWZOOA-XMSQKQJNSA-N 426.542 2.107 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cs1)C(N)=O 1624793748 NLOXLVKYFWUDAO-LBPRGKRZSA-N 433.534 2.011 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1Cc2ccc(C#N)cc2C1 1627600324 JLGWIIURRVCJNB-LJQANCHMSA-N 445.928 2.287 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c1 1631034975 YSCCVBRQAQSJDQ-MRXNPFEDSA-N 430.457 2.237 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 1631655828 NKYPGSWBGNKXGS-CALCHBBNSA-N 435.546 2.375 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(O)(c3ncnn3C)CC2)cc1C 1633642430 UKIFLYGETKOYJR-UHFFFAOYSA-N 433.516 2.333 30 10 IEEE COCCCNC(=O)C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1633879343 UAVIJHXYPXUEHA-UHFFFAOYSA-N 438.322 2.091 30 10 IEEE COc1cc(NC(C)=O)ccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1636616400 BFFGESCQMNBYDO-GFCCVEGCSA-N 430.486 2.109 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1)C1CCOCC1 1637128177 MGVLUPKCCIERLA-TZIWHRDSSA-N 427.545 2.353 30 10 IEEE N#CCCN(C(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccccc1 1642653194 IWAUBRRQALUCIT-WOJBJXKFSA-N 446.573 2.223 30 10 IEEE N#CCCN1CCN(C(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 1643821715 ADYHCGGHTBKIGH-UHFFFAOYSA-N 425.558 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(CCOc3ccccc3C#N)CC2)CC1 1647809063 CMFWLFMZOUCZNF-UHFFFAOYSA-N 443.548 2.227 30 10 IEEE C[C@H](NC(=O)OCc1ccccc1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649036146 ZQAVXARLOFZKRS-HNNXBMFYSA-N 425.441 2.205 30 10 IEEE CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651220946 IXLBOGZBMDPISP-MRXNPFEDSA-N 433.530 2.228 30 10 IEEE C=CCCn1cc(CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nn1 1651764934 SORKTPYUFUIAGV-UHFFFAOYSA-N 433.354 2.373 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](O)C3CCCC3)nnc12 1654780001 MSLVEBCFBYBFEP-SFHVURJKSA-N 441.557 2.380 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCOC[C@H]3CC3CCOCC3)C2=O)cc1 1681515145 GHWFTNSWXPZOLE-NHCUHLMSSA-N 426.517 2.281 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@@]3(OC(C)C)CCOC3)c(C#N)c2N)cc1 1684288109 DCDZTJJBAOOKMW-QHCPKHFHSA-N 440.548 2.451 30 10 IEEE CC(C)(C)OCCCN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1686055659 MDLVSAFYSXUWOO-MSOLQXFVSA-N 437.585 2.278 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCCNC(=O)C1CCC1 1689926581 SPYIFYPFUYQHGA-UHFFFAOYSA-N 426.521 2.162 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986565 SJHMOCQROFMBRA-LJQANCHMSA-N 443.573 2.052 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCOCC1 1690008318 DMIFMYORAQDVAJ-UHFFFAOYSA-N 447.308 2.461 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690161957 WSQFHDXZKOHHOR-KRWDZBQOSA-N 444.605 2.250 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690364435 QJXZWYKCRIDJCP-WMZOPIPTSA-N 426.631 2.411 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1690532481 OMVWFHHMQUZFDM-UHFFFAOYSA-N 426.550 2.258 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1690671106 OZRSOHTWRBRFBA-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE Cc1c(Cl)cccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1692950523 WVVOZSMZUZYQEJ-ACJLOTCBSA-N 440.932 2.340 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CCN(C(C)C)CC1 1694294253 FGDGHWGYVKOERQ-QGZVFWFLSA-N 433.601 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCN1CC 1705583496 ZKKMYXRERBWJRT-QFIPXVFZSA-N 446.603 2.399 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(N(C)C)CCOCC1 1705609894 VEOYBDIOVLWMIP-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)O)CC1 1705634005 FVRCJEJGUHRWHK-UHFFFAOYSA-N 436.329 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCCCCC2)CC1 1705649053 IPGIAUCAWQYWKM-UHFFFAOYSA-N 438.576 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC=CCC2)CC1 1705650964 FCKAKBRSCDKAJS-FQEVSTJZSA-N 435.576 2.462 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1705667357 RZUBXVXALOHTDA-HSZRJFAPSA-N 437.548 2.028 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705899311 OPUGNNIMOIFQFC-MRXNPFEDSA-N 428.512 2.129 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1705900012 NHVMNQPKFMIVCY-FQEVSTJZSA-N 434.500 2.229 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705939392 DGMSSKQQYKRYNW-GOSISDBHSA-N 449.621 2.455 30 10 IEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705944651 NRLAMZBTNQUGGQ-UHFFFAOYSA-N 442.589 2.439 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)c1 1707221403 UIRIHAJBQZYGPW-UGKGYDQZSA-N 427.505 2.008 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)cs1 1707759191 QPAYTANNSNDVJE-AWEZNQCLSA-N 425.518 2.239 30 10 IEEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1709142883 PUQVGBUMODFDST-GFCCVEGCSA-N 442.877 2.471 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H]1C 1710218463 FMPRXUHTILIEKT-MSOLQXFVSA-N 439.564 2.126 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnccc1OC 1710866830 BRQFHMLTWNGKGH-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1722282513 DEAVHZXMNOTZNB-KRWDZBQOSA-N 443.573 2.430 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1722297156 XXVATTLHNNHTPQ-JKSBSHDWSA-N 435.569 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1722369972 DOBMKMZSWVCVTN-HXUWFJFHSA-N 446.555 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCOCC1 1722394364 SMNYYHBVQXWTLD-UHFFFAOYSA-N 441.539 2.079 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1722402180 ITMKNWOIYMNEHS-CQSZACIVSA-N 438.623 2.345 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1722436771 FKGNSFRDXFPYEE-HTAPYJJXSA-N 429.952 2.098 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722460601 YREQQQFXEBCZST-QYZOEREBSA-N 449.621 2.254 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCC[C@@H]1CO 1722476191 OKQKETAIEZEOQN-ZJSXRUAMSA-N 439.608 2.369 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722537096 VBIDRPDZLLHRQW-LJQANCHMSA-N 440.548 2.226 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CCCCC1 1722679828 MYLJRHVBQHHYFS-UHFFFAOYSA-N 441.580 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 1722723896 HZLWWBWWISCSFR-RBUKOAKNSA-N 445.589 2.136 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)O1 1727298637 WDNZLFKEIHKVBK-WRWLIDTKSA-N 438.598 2.366 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1729588614 ATMPMKOSFHDRGA-DLBZAZTESA-N 441.536 2.412 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1730499217 ZOSLWLYDVXBJHV-INIZCTEOSA-N 438.454 2.100 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1740561468 ANPLBGFVZJZFEA-BSDSXHPESA-N 437.610 2.079 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740622510 YZYUWNAPDBOPKB-OTWHNJEPSA-N 445.589 2.116 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740630376 BUOBJCVMNJBZFL-JPYJTQIMSA-N 445.564 2.306 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2noc(CC)n2)CC1 1740699543 LDEUJXXDOVYDOZ-UHFFFAOYSA-N 449.559 2.417 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)COC)CC1 1740711779 RGXZVBVURJIYRD-UHFFFAOYSA-N 439.541 2.353 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740741151 FTOYQDITJXDAEZ-INIZCTEOSA-N 447.337 2.076 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1740761860 PMENTUSXNLUMFC-YRXWBPOGSA-N 438.594 2.024 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740777522 IZJHAAYJKYSUET-SJLPKXTDSA-N 427.505 2.084 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 1740796693 CQNLGWIEKRXJQZ-SJLPKXTDSA-N 433.578 2.463 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740959659 CBOAICUDYZLIJM-HKUYNNGSSA-N 429.496 2.191 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1740967005 ZQJCNNJLOKKODS-LJQANCHMSA-N 440.548 2.160 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2sccc2C)C1 1740973594 ZVGNTPPNVWQWEW-CVEARBPZSA-N 439.607 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)C1 1740980886 RXLAGWPMWKMOTD-HUUCEWRRSA-N 447.337 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1740981088 NWUDTLKUOWWAFF-QZTJIDSGSA-N 433.553 2.430 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@@H](C)O)cc2)C1 1740982475 UXRDYKBVIRNREK-LSTHTHJFSA-N 446.573 2.063 30 10 IEEE CC(C)c1nnc(N2CC[C@H](CN3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741350864 GDLXFDZMJSJTAL-HYHOCUEZSA-N 441.580 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1748670599 ATAXSTYLSDAECL-DLBZAZTESA-N 432.546 2.116 30 10 IEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1748760115 TXLRFSVSPPZTIK-UHFFFAOYSA-N 432.322 2.311 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1749033948 SAKGQLLXXIIYFP-KSZLIROESA-N 446.621 2.117 30 10 IEEE COc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1749069194 DZICWPXLJFZWON-UWJYYQICSA-N 429.546 2.367 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1750034856 VPZPVYUVFSKELU-SUMWQHHRSA-N 436.438 2.499 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCCCC2)CCO1 1750386547 IVADWDQZZACJKB-SFHVURJKSA-N 439.520 2.394 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCC1 1750791926 DWAALLMWKOKKJN-UHFFFAOYSA-N 431.566 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760111935 XFEWQJPAIQBIPC-CVEARBPZSA-N 426.546 2.166 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@](C)(O)C2CC2)c1 1760127553 CXCISTMMRIJYHD-RUZDIDTESA-N 444.539 2.481 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1760226460 UOYIXFFKCVTTOK-UHFFFAOYSA-N 445.571 2.425 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1760258700 BFFZRXDDURZJOR-MBSDFSHPSA-N 443.979 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(CCOCC)CC2)CC1 1760273202 LFBRKYARYSHZFA-LJQANCHMSA-N 429.565 2.302 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)OC 1760319776 ULQCZTXVWJHOOR-WMZOPIPTSA-N 435.550 2.174 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760368444 BUIDDMNCIHQYGL-MRXNPFEDSA-N 426.926 2.338 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1760523891 KHSCMOKSTBTXBD-PBYQXAPXSA-N 431.562 2.196 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1760525560 JVBZUJPOLBFBST-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760562319 FQVPULNPRGCRJB-SFHVURJKSA-N 428.562 2.087 30 10 IEEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760564469 ADJGYXHRDXBGRO-KRWDZBQOSA-N 425.624 2.469 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCc2ccccc21 1761356348 FMVLQSZALWMADU-MWTRTKDXSA-N 431.500 2.498 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)CC1 1761553709 DTDYHDIQKPPYKQ-UHFFFAOYSA-N 432.550 2.251 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCOCC1 1761880658 GTAHBYSNSSRKHZ-SFHVURJKSA-N 439.564 2.316 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)n1 1762416881 BRUVUZVBNYRRRT-FQEVSTJZSA-N 448.575 2.369 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1763422635 FIHPMKFMQQAQNT-HKARXFIJSA-N 440.548 2.193 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1763580976 HGMDUGHGOBPOJT-GOSISDBHSA-N 426.521 2.116 30 10 IEEE CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)n1 1765770022 CEQLWNAXXRAFQR-AWEZNQCLSA-N 438.492 2.022 30 10 IEEE CN(C[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1767228170 YAPVNRXSEHOSLW-MRXNPFEDSA-N 448.593 2.487 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CCCn1ccnn1 1768995796 PUGRDFPFGHLXGE-UHFFFAOYSA-N 444.341 2.468 30 10 IEEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1769332022 SILCKWYBNAQANO-SFHVURJKSA-N 438.532 2.228 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)F)CC1=O 1771128316 XBNVYEOYUMQCSI-INIZCTEOSA-N 432.475 2.403 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1771207154 GWCXFBGJXIORKQ-NMQZXRHPSA-N 446.552 2.155 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1772566864 USVQVCRXEQOONV-UHFFFAOYSA-N 442.951 2.350 30 10 IEEE COC[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1851983983 CWIMSHYECUVXRH-TZIWHRDSSA-N 427.526 2.085 30 10 IEEE CN(C)c1ccnc(N(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2)c1C#N 1852266050 HONPZSYSCOZXFT-INIZCTEOSA-N 427.530 2.356 30 10 IEEE COCCN1C[C@H](C(=O)N(c2ccccc2F)c2nccc(N(C)C)c2C#N)CC1=O 1852670129 UMCXBJSPRWQECF-OAHLLOKOSA-N 425.464 2.318 30 10 IEEE CCS(=O)(=O)c1cccc(CN(C[C@H]2CCCN(C)C2)C(=O)c2cnc(C#N)nc2)c1 1853422197 JTMFJAYGTXXYRS-SFHVURJKSA-N 441.557 2.126 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CCN1CCCC#N 1854281622 QSFNSJZLMKWUMK-HNNXBMFYSA-N 425.938 2.257 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)CC(F)(F)F)C(=O)O3)CC2)cc1 1855845718 ZKLDJTCEUOSAEQ-OAHLLOKOSA-N 445.419 2.259 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1 1858334080 BKCHMFIDCJWIOZ-IBGZPJMESA-N 445.566 2.179 30 10 IEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1 1858655053 SCLYJYDOUQLXJL-UHFFFAOYSA-N 443.525 2.454 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cc(C)ccc2C)cc1 1858973980 PRXBMWTYQGYPRG-UHFFFAOYSA-N 445.541 2.215 30 10 IEEE CCOC(=O)CN(C)C(=O)[C@@](C)(CC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868796094 QIUZVFOKAHRMLN-VGOFRKELSA-N 448.589 2.331 30 10 IEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 1889639848 MDDAXHICXADEHX-UHFFFAOYSA-N 447.645 2.405 30 10 IEEE C=C(CS(=O)(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1904571324 HVVYKQQYUWHPKB-IBGZPJMESA-N 430.376 2.493 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2010149943 FSBWPZBDYJFZJX-IKGGRYGDSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2014230302 HPHSCLOXLOAETP-XHSDSOJGSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622024 UTBGSMODGXJIOG-JJTUDDRGSA-N 436.358 2.467 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(N)c1 2162579906 DKSLUCWOTDFZET-INIZCTEOSA-N 442.419 2.276 30 10 IEEE C=CCN(CC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1)C(=O)OC(C)(C)C 2214638675 ZGQBMVYBECFPCE-IKGGRYGDSA-N 439.553 2.096 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229107700 NFUXAGISKFCRDQ-GOEBONIOSA-N 425.323 2.385 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2247824146 UURDPVIWJMLHDG-CHWSQXEVSA-N 437.371 2.394 30 10 IEEE C[C@@H](NC(=O)C1CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2248416119 MHWIQYKLUUGMDQ-GFCCVEGCSA-N 437.371 2.486 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254794821 FODCZVSZIUFEJE-JOCHJYFZSA-N 433.358 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255595800 KLRYPTJZXICLPQ-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC(C)[C@@H](CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255598004 UQQXYLHXIFVOGE-OAHLLOKOSA-N 436.362 2.378 30 10 IEEE CC[C@H](CN(CC)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255614148 FFQVNFMPAIXNNH-CQSZACIVSA-N 436.362 2.474 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1Cl 2255828440 DGUUZNRSLMJZNS-UHFFFAOYSA-N 446.662 2.451 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cnc(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)c2)C1 2256677924 IVOKZOKKCUEHLN-UHFFFAOYSA-N 430.314 2.040 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256926592 CDAXQVQRMWVDQD-LJQANCHMSA-N 425.290 2.386 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267175770 QDZVAGMVDTWSOI-INIZCTEOSA-N 446.357 2.247 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267227067 QNVCZNPPSABMJT-IRXDYDNUSA-N 446.353 2.316 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 2267265726 JWYPAFUFDPFTCG-UHFFFAOYSA-N 445.369 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267518033 CEPULHHJFIZTKQ-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267527512 IQVSDKHHRBJAIJ-LJQANCHMSA-N 438.381 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267873990 VIYOQNVAHWHLGH-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268723547 WIAINKIJKJMCDU-SFHVURJKSA-N 446.353 2.104 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c1 2282120022 AJOJTPMJZMFPPG-QHCPKHFHSA-N 449.404 2.498 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)OC1(C)C 2282182356 RBOFTGOYZOQPRI-KBMIEXCESA-N 448.376 2.370 30 10 IEEE COCCN(CCF)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282305401 YJEIQBDEFGBSAO-UHFFFAOYSA-N 427.756 2.307 30 10 IEEE Cc1cc(S(=O)(=O)NC2CCC3(CC2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2282319238 QGZYROMKYRUQDR-UHFFFAOYSA-N 443.396 2.320 30 10 IEEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282840975 LAHVVOGQDGXGJK-GXSJLCMTSA-N 441.833 2.091 30 10 IEEE C#CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCCC1 2286024956 BNMMPJLZSRMDLC-GOSISDBHSA-N 436.530 2.100 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2313209642 AVHDXYNIWOCGGM-BBWFWOEESA-N 434.342 2.294 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2315400514 ZYLIXERIYPZBSZ-IAGOWNOFSA-N 433.358 2.154 30 10 IEEE CCCOC(=O)CSc1nnc(CC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321059137 IRXHVRLSAKCZAB-UHFFFAOYSA-N 435.462 2.447 30 10 IEEE COc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)c1O 2329175795 WWPMCIQTASLLHX-UHFFFAOYSA-N 427.486 2.073 30 10 IEEE C=CCNC(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(COC)n23)C[C@H]1C 34707625 WKJHAKNWIMBWOJ-CYBMUJFWSA-N 429.912 2.483 30 10 IEEE Cc1c(C(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c(O)n(C)c(=O)c1C#N 38616032 IRSYCDMMLDTGCN-MLPAPPSSSA-N 431.520 2.417 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)NCC#Cc3ccc(N4CCOC4=O)cc3)CC2=O)cc1 96349911 IDYXEDUVSCHGCT-SFHVURJKSA-N 433.464 2.173 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)c3ccc(F)c(F)c3)o2)c1=O 101351013 DZZZIVRMDUKJJW-UHFFFAOYSA-N 434.424 2.258 30 10 IEEE COc1ccc(Cc2nc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc(=O)[nH]2)cc1 170585450 CAXXSRMIDNYGFO-UHFFFAOYSA-N 427.424 2.074 30 10 IEEE COc1cccc2c1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 431672766 IIMNKHMUIPPUAQ-LJQANCHMSA-N 425.510 2.130 30 10 IEEE Cc1nsc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2)n1 461170895 WBYUAGCGQSVLOU-SFHVURJKSA-N 436.545 2.482 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473429631 CSIYZUWEWVONJN-INIZCTEOSA-N 438.509 2.167 30 10 IEEE Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N[C@@H](CCCC#N)c1ccccc1 487263657 DRIKREFOPLRUIL-IBGZPJMESA-N 429.488 2.416 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)c2C)nn1 488038366 ZXBXJGZVJHASKK-UHFFFAOYSA-N 429.444 2.133 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C(=O)C4CCCCC4)CC3)C2=O)cc1 488258307 AJFAHLPYQUHLOF-OAQYLSRUSA-N 437.544 2.093 30 10 IEEE Cc1cc(N2CCN(C(=O)Cn3cc(C#N)c(=O)c4ccccc43)CC2)nc(C(C)C)n1 502689089 GPLVUZOZJBYIPP-UHFFFAOYSA-N 430.512 2.444 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)Cc1ccc(C(=O)OC)cn1 506961379 QMGBLQJLQSSBIH-UHFFFAOYSA-N 446.460 2.338 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCSC)c2=O)c1 539598611 OJVWNCPAZYGHBN-UHFFFAOYSA-N 431.583 2.103 30 10 IEEE CCc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1Cc1ccccc1 555179079 MTOGVWQIYPPWPN-UHFFFAOYSA-N 436.541 2.271 30 10 IEEE CC(C)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555346167 DNBMXCVBYKGKPF-UHFFFAOYSA-N 428.562 2.269 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1Cl 557849469 OSQQCIJMEMGVPY-CABCVRRESA-N 431.901 2.409 30 10 IEEE COCCO[C@H]1C(=O)N(C2CCN(C(=O)c3cccc(C#N)c3)CC2)[C@H]1c1ccncc1 575555213 YCPBFQFRAMDLMK-FCHUYYIVSA-N 434.496 2.173 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(OC)c(OC)cc3Cl)N2N1 588225426 FCCSOJQMVBORDX-LJQANCHMSA-N 442.928 2.419 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCO2 728273951 MEZTUMRQCDLHAU-INIZCTEOSA-N 427.482 2.208 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccc(F)cc2)cn1 730143746 DKJJAYYBBLUBIY-SFHVURJKSA-N 446.552 2.242 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccsc2)cn1 730144719 RKRMDONMRDRVKB-MRXNPFEDSA-N 447.586 2.351 30 10 IEEE N#C[C@H]1CN(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCN1C1CC1 732677363 LWRKRHHGUSVIPN-NRFANRHFSA-N 430.984 2.234 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 734923770 UDBAGPUYGMQZLB-JAXLGGSGSA-N 433.464 2.435 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCc2c(C)nn(C)c2C)C1=O 735225072 GNAMXLNOIPWNEQ-GOSISDBHSA-N 443.529 2.076 30 10 IEEE Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 735333299 XWFFTMDMLJLYMT-LJQANCHMSA-N 445.472 2.023 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 747375149 IPXOPXASFJCKKV-VVDBFAKWSA-N 438.575 2.140 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C3CC3)CC2)cn1 751697830 YASOKKBASQHUMH-KRWDZBQOSA-N 445.589 2.280 30 10 IEEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 751923610 IRODOGMBVJVXMI-DNVCBOLYSA-N 449.536 2.331 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 754438901 RDIUFWXUVQQGJG-WZONZLPQSA-N 426.517 2.422 30 10 IEEE CC[C@@H]1CC[C@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)O1 757302428 AQILXPQYPLKLEN-NZSAHSFTSA-N 433.530 2.466 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C[C@H]1CCCO1 760409560 QXBRFIOIOQQQDH-MRXNPFEDSA-N 443.566 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760991732 JFQXTFLVJKONIF-KRWDZBQOSA-N 428.537 2.432 30 10 IEEE COc1cc(C#N)ccc1COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 766903016 OHQHBICYHJTBFP-QHCPKHFHSA-N 437.452 2.394 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccc(OC)c(C#N)c3)CC2)cc1 778392541 YJOFFUJMKBQNAB-KTKRTIGZSA-N 434.496 2.097 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 787063442 ZMIPHGHRXHOPIX-TZIWHRDSSA-N 448.479 2.401 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 788912337 CSAKXNSNEAOKNT-LJQANCHMSA-N 433.553 2.464 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CC)n2nnc(-c3ccc(Cl)cc3)n2)n1 790109310 VJYIVPFVFKNNIY-IBGZPJMESA-N 441.923 2.450 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 792746278 LJOLRWWPRPGCMR-MAUKXSAKSA-N 434.537 2.246 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 805783017 SEWWVVGMBWCXFR-FQEVSTJZSA-N 440.569 2.061 30 10 IEEE C#CC[C@]1(C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)CCCN1C(=O)OC(C)(C)C 809800935 ZBVAWZJUULXRAB-KCJWSYCKSA-N 426.557 2.405 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 813813216 MCWHNUWJEKYMAT-IRXDYDNUSA-N 432.500 2.132 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc(C)c1OC(F)F 837832702 RRMPNWKJYYLLPT-INIZCTEOSA-N 431.464 2.334 30 10 IEEE O=C1CC[C@@H](c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)CN1CC1CCCC1 856583141 XRIKJHXUEAXCJJ-OAHLLOKOSA-N 443.529 2.205 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(NS(C)(=O)=O)c3)cc2C1=O 915611415 LHLHLWRXPHCTIY-ZDUSSCGKSA-N 427.482 2.331 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccccn3)n2)cc1OC 1084497390 GEAOMIAACTUQNX-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE N#Cc1cscc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1124266466 QZOMZPKOOHVLMG-UHFFFAOYSA-N 446.554 2.493 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc1Cl 1124380989 PMDKVEZCJGPAFU-UHFFFAOYSA-N 426.832 2.032 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 1132451338 BEXBFRMGJYIVQL-MRXNPFEDSA-N 441.509 2.355 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCc4ncc(Br)n4C3)CC2)o1 1134860440 CKTRFOJBGDCLPE-CYBMUJFWSA-N 433.310 2.161 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cc2ccccc2n1CC#N 1142426852 TUDSACUNZBORGT-UHFFFAOYSA-N 441.469 2.124 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1(N2CCOCC2)CC1 1156560544 GHGWGYDQMGBZBS-HXUWFJFHSA-N 440.544 2.374 30 10 IEEE COCc1ccc([C@H]2COCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1227632380 MXONCLKWBISQNB-VQTJNVASSA-N 438.484 2.182 30 10 IEEE C#C[C@@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1F 1230509821 BMASQWZNEQCXQS-LJQANCHMSA-N 444.894 2.227 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 1286268720 AXTDYWARMNYEHP-AWEZNQCLSA-N 436.438 2.465 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286347907 DIXAUSMNGBSTDX-MSOLQXFVSA-N 442.589 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)C(C)(C)C 1286404262 QZXGKFWKSJMZBK-UHFFFAOYSA-N 442.541 2.002 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1286471609 OMSFRFSUZNVXPX-UHFFFAOYSA-N 446.477 2.336 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1286641587 YPVMERPXIIYFLI-QFIPXVFZSA-N 430.505 2.279 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286687122 LTSXTFVXEJIFSJ-PMACEKPBSA-N 429.613 2.190 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1286733591 DJMRTNUDBQETRX-UHFFFAOYSA-N 447.590 2.182 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1286954197 HUYLGOUNGSCFPJ-UHFFFAOYSA-N 439.564 2.033 30 10 IEEE CC(C)(C)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1286997234 JQQQDOTUTUKZBU-ONNQFXDFSA-N 442.564 2.497 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cccc(Cl)c2)CCOC1 1296662594 DUCXTONMKZXYIO-NQIIRXRSSA-N 447.923 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCC1=NNC(=O)C1 1298791834 AZDVSLQKOUDEPE-LJQANCHMSA-N 425.489 2.165 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCc2cnn(C)c2)c1 1300333764 COIDAZRWJCTPFW-FQEVSTJZSA-N 447.543 2.205 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300367466 DCWOKIWKVRKYER-QGZVFWFLSA-N 438.561 2.266 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@]12COCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1300398928 IKCVCORLIYMFDM-SFYKDHMMSA-N 429.517 2.324 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1300403595 NRSNTMOMGJKDCP-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1300830182 DQLPINIXYUKXJU-ZDUSSCGKSA-N 446.357 2.465 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1301969229 VVORJNLGZIMKJV-GUDVDZBRSA-N 436.626 2.288 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC 1302420601 UEQAZBOGJMYFMT-ZDUSSCGKSA-N 443.736 2.462 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1314730495 YUPLTBMACCWJFT-QHCPKHFHSA-N 447.499 2.239 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1315055969 GPNDQNMFRYJSAV-UHFFFAOYSA-N 430.516 2.224 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1315917994 NCXAQMXQEWCWBR-ICSRJNTNSA-N 427.505 2.007 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cc(C)no2)CC1 1359046984 MYTQKTVENLRSJI-UHFFFAOYSA-N 448.527 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1359062264 BDHMVOLCKZKSRR-HSZRJFAPSA-N 426.565 2.297 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359310437 WBWCBISEMJGMRW-OAQYLSRUSA-N 448.527 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1359335312 HRVCHPOFPDMPSP-UWJYYQICSA-N 440.610 2.403 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1359339321 AKVTVAZISZWPOF-SFHVURJKSA-N 445.589 2.402 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCc1ccc(N2CCN(C)CC2)cc1 1463493634 LQKJJWDZFRHOGT-UHFFFAOYSA-N 445.571 2.261 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 1466087097 IVPKONYKBBWAJH-QGZVFWFLSA-N 433.436 2.187 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1(F)F 1466735659 CSZPWTKAURVYEB-RFQIPJPRSA-N 444.479 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1467702109 GTWHXECLNNGPAF-WMZOPIPTSA-N 433.530 2.086 30 10 IEEE COCCOc1ccc(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc1 1472554421 JQPDAFURMSPFRA-UHFFFAOYSA-N 434.290 2.437 30 10 IEEE N#CC1(C[C@@H](O)CN2CCN(Cc3ccc(Br)cc3)C(=O)C2)CCOCC1 1473706880 QEULINIRNJHNPB-GOSISDBHSA-N 436.350 2.165 30 10 IEEE C=CCN(C(=O)Nc1scc(C(=O)OCC)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1476987709 INAVWVPJRPTLIK-LBPRGKRZSA-N 444.531 2.309 30 10 IEEE C[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1493768477 PBIAJKDYSYXSTO-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1503701452 AEMIBTQOEBAIRM-VQIMIIECSA-N 440.548 2.362 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1504555357 GNHVUTNQVRIPSO-UHFFFAOYSA-N 426.521 2.103 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCO[C@H](C)C1 1504955644 YHYCWFAVHYYWLS-RTBURBONSA-N 434.585 2.243 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1sc(C)nc1C 1504994157 JAIBPEMSOMFQNW-CRAIPNDOSA-N 445.593 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CCCC 1507527120 GKUKZTFIVQLRTM-KRWDZBQOSA-N 431.610 2.428 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507555909 XCKXKLPARRZFMC-CQSZACIVSA-N 432.326 2.053 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1507811747 UNKNPIIRNAQQSV-HTAPYJJXSA-N 441.532 2.125 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC)c1ccccc1 1507924943 VWTYWAKOIGNNIF-MOPGFXCFSA-N 445.589 2.112 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507964531 BWVODOYYHLQGQM-MOPGFXCFSA-N 439.472 2.436 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507969679 FUMHXKWCSZXPFX-XMMPIXPASA-N 441.576 2.433 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507974564 YHHJXCUFEZFNSF-OAHLLOKOSA-N 447.469 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OCC(C)C)C1 1508073680 OSJTVAFGZJYXME-GOSISDBHSA-N 428.493 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC=C(C)C1 1508076388 ZUFSXVPNCQFQIZ-UHFFFAOYSA-N 443.577 2.005 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1508081359 XKXBMHNQXRJAPB-QGZVFWFLSA-N 438.532 2.359 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508106082 RKQURPAJMUDMQM-UHFFFAOYSA-N 433.516 2.020 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)C1 1508127533 YFDLQVMJFWJCMJ-CRAIPNDOSA-N 433.459 2.368 30 10 IEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508150617 NXUVRUIHSVQWLQ-MRXNPFEDSA-N 444.561 2.095 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1508698825 ADCHKRRVZNWNLW-KZNAEPCWSA-N 435.594 2.371 30 10 IEEE CCC[C@](C)(O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1514272658 GGOOTGPJYZQUNC-OIBXWCBGSA-N 446.596 2.046 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1517563126 QPPNMEBZHBKAJC-GOSISDBHSA-N 432.532 2.238 30 10 IEEE C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1526686349 KKYAEEFJHSMTJZ-PDSXEYIOSA-N 449.529 2.198 30 10 IEEE N#CCc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)cc1 1537510443 LUYWHEFWWKFWHA-UHFFFAOYSA-N 444.236 2.263 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccco2)c1 1539043084 NCIUSZNVZUFDKF-KOSHJBKYSA-N 449.511 2.339 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1539220287 HYTJYLUFIBZBFI-MSOLQXFVSA-N 440.635 2.188 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)c(OC)c1 1539237734 JREQQIFUEDIIEI-DEOSSOPVSA-N 438.528 2.457 30 10 IEEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1540019065 AMGSBXZXMFWKLJ-PZJWPPBQSA-N 432.613 2.373 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1540880654 MZTDXEQGWUFCCL-SFHVURJKSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1540888947 BGXULBQCDZRORC-QJWGWKRISA-N 440.573 2.387 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(Br)ncc1Br 1545847891 FWAIVTOHKQLAQB-UHFFFAOYSA-N 442.115 2.488 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1 1557111413 IZGUCMIPBVGXSE-SJLPKXTDSA-N 435.546 2.232 30 10 IEEE C#CCC1(O)CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 1560098734 QLVZDDLCHHEUQM-UHFFFAOYSA-N 425.451 2.331 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2)C1 1560182909 QPBIFCSMHYUUMS-WMZHIEFXSA-N 438.572 2.429 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 1583821328 ZKICPZSSPLAJOZ-UHFFFAOYSA-N 433.448 2.369 30 10 IEEE COc1ncc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1C#N 1584819539 PSYUVEBBKGLWDG-UHFFFAOYSA-N 429.502 2.065 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1587010882 KUEKXRCXZJZGNC-AWEZNQCLSA-N 427.452 2.027 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1587568243 OXIZLJMVFGGBQU-UZUQRXQVSA-N 435.532 2.326 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CC1 1587645214 MJCDZXFZHMOKOQ-UHFFFAOYSA-N 437.378 2.158 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1588030271 RYAFBFPUWDRYGF-KRWDZBQOSA-N 431.562 2.044 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588041564 XWYGFVZJBAHKKQ-QZTJIDSGSA-N 432.546 2.432 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1588060038 YEPBIIDQDUTPQZ-UZKOGDIHSA-N 434.606 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(C)(C)O)CC1 1588961701 JKFNKBBZMAKRIS-UHFFFAOYSA-N 448.571 2.408 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NCC)CC1 1589006694 GTKXSBHZINUXOZ-UHFFFAOYSA-N 443.533 2.071 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595051191 VGEGZQAOMWUWFD-CVEARBPZSA-N 442.486 2.037 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595442551 SEIKTMXCSLUQNS-DYESRHJHSA-N 442.539 2.171 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1595705841 FQCVXKSNBAHLCB-MOPGFXCFSA-N 448.518 2.477 30 10 IEEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607498403 UFWFPMAEJBLYNN-UHFFFAOYSA-N 425.445 2.173 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNC(=O)NC2CCCCC2)n1 1611072677 GFIRJRLREIOUDC-UHFFFAOYSA-N 435.579 2.371 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCN(O)C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 1611650533 AUVUHVIPNWXHTJ-UHFFFAOYSA-N 441.394 2.399 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCC1 1619912502 FGNOICRBWFSXBQ-FQEVSTJZSA-N 426.521 2.253 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)cc1 1629408472 WZTKQUBNPDYJNH-FQEVSTJZSA-N 442.928 2.467 30 10 IEEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1629962590 JXUHARGBDLAJRW-GOSISDBHSA-N 430.501 2.243 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OCC)Cc2cccnc2)c1 1631168584 CJALMRWQDSRSSF-UHFFFAOYSA-N 428.510 2.474 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 1639961825 IKAKSWNPMBSVAO-SFHVURJKSA-N 433.555 2.139 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)CC2)cc1OC 1642537246 SKFQEKSQVBGTMA-FUHWJXTLSA-N 435.546 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 1648311448 IKFGLFVIIHSPQT-CVDCTZTESA-N 431.533 2.204 30 10 IEEE C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1664619622 JVFBVBQUOSJVFJ-QGZVFWFLSA-N 428.576 2.135 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1666222396 FYWQGZOZUOZCEI-SFHVURJKSA-N 444.532 2.447 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](CO)[C@H](C)c2ccccc2)c(C#N)cn1CCOC 1668605567 HHPXPMPWIOXHTF-QAPCUYQASA-N 428.489 2.469 30 10 IEEE C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 1681362504 BTOZQANHRDZKSA-KUHUBIRLSA-N 441.511 2.329 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)c(OC)c1 1682389714 PCXSRIYWIGDSAH-CTNGQTDRSA-N 434.496 2.143 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1687850905 ILTJKUYKXVWVIY-MGPUTAFESA-N 434.518 2.113 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1(N2CCOCC2)CCCCC1 1689827159 AUSWFIUKGCWLQP-PMACEKPBSA-N 433.597 2.495 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1689847298 WUHKLQORYRSRNJ-VQTJNVASSA-N 432.576 2.347 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1689907548 CIDRDJNEMVISDC-HBMCJLEFSA-N 431.581 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1689998096 BJVGRYABKRKZQO-GOSISDBHSA-N 434.544 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ncnn2C(C)(C)C)CC1 1690137048 MVIRBBOKJULQGW-MRXNPFEDSA-N 426.569 2.152 30 10 IEEE C=C(C)Cn1c(COCC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690296781 NJGKNZCXJCGWLS-HZPDHXFCSA-N 437.541 2.141 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1690667043 OOWAWGNOBQMVHR-UHFFFAOYSA-N 435.507 2.410 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1691000001 URDCJIUCUAXQSE-YOEHRIQHSA-N 434.504 2.021 30 10 IEEE CC(C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1691368229 PYQPJQZIYWPSBO-KRWDZBQOSA-N 428.512 2.280 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1693645324 BUIIOLVXVRHZOY-WVBUVRCRSA-N 443.573 2.239 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1694517920 GEDKMXHQPZBJEI-FGZHOGPDSA-N 438.576 2.473 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1=O 1696981102 CIAQKOJYOJUWPV-UHFFFAOYSA-N 437.548 2.182 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CCCO2)cc(OC)c1OC 1697255511 BLNVFLBSDSUFRD-KSFYIVLOSA-N 443.504 2.269 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1705569863 KRHCMQDGGCNLGW-HXUWFJFHSA-N 442.585 2.117 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C1CC1)N(C)C 1705628508 JBDPEVZRTDZVCV-WIYYLYMNSA-N 425.533 2.217 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCC[C@H]2C)n1 1705631770 PPNIIGYPUYUKSY-WZONZLPQSA-N 437.548 2.307 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1 1705693490 HFWHDCWPLNLBSW-MJGOQNOKSA-N 436.520 2.277 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1705803552 UNDVNKALEZIRKT-UHFFFAOYSA-N 440.548 2.240 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1)C1CC1 1705847994 JVFXNKQRJFDCES-KRWDZBQOSA-N 439.568 2.072 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1705869067 KYISDYWNVFQGKH-FQEVSTJZSA-N 425.581 2.196 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1705877901 PVJWZGOEMFGXLG-XMMPIXPASA-N 448.527 2.312 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCNC(=O)[C@@H]1CC 1705896738 WQAJFEPHJXHSSB-ZBFHGGJFSA-N 442.589 2.148 30 10 IEEE CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1706367455 HSTACEHOSFAJAV-HMXCVIKNSA-N 429.613 2.325 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1708262666 HFGRZNSETSUOJO-HOTGVXAUSA-N 436.520 2.053 30 10 IEEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1709088514 CDTQHSZPTGLBNY-OSAWLIQMSA-N 434.516 2.307 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1709404823 ZTLNGVHZXHLUKC-SNAWJCMRSA-N 444.561 2.167 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1709829162 HNLHYVRZHVOYND-SBUREZEXSA-N 438.532 2.117 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C(C)(C)C 1711578855 DBPGQCBGQNEGDX-AEFFLSMTSA-N 426.521 2.101 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H](OC)C(F)(F)F 1722349891 FUDQPOYGTFAORY-CQSZACIVSA-N 444.483 2.275 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1conc1COC 1722358181 ZAURGKUZASWGRG-FZNQNYSPSA-N 430.509 2.301 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CCOC 1722380046 BEFJFULJZNEWMJ-UHFFFAOYSA-N 432.528 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(O)cc1 1722426365 ANAKGTXHEKSCCL-UHFFFAOYSA-N 425.514 2.110 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)CCCS2)CC1 1722431354 OGEHWFUBYHCFPQ-VXKWHMMOSA-N 433.622 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1722447476 IINLELQUKWMAOD-UHFFFAOYSA-N 448.571 2.170 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1722457717 LKQIBTQKANNDLF-SFHVURJKSA-N 449.584 2.460 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1722471941 WXCSWOVEHHZFEF-DNVCBOLYSA-N 446.353 2.271 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccco1 1722478798 YOUYFWABYDUQPG-SGXKBVARSA-N 427.505 2.017 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)F)CC1 1722612101 PVYQNRJCUOTYQL-UHFFFAOYSA-N 429.479 2.274 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1 1722699421 UQWWBBSZIZBTFD-OAHLLOKOSA-N 434.338 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1722728294 PCCHQFLSDNCOMX-PKOBYXMFSA-N 432.546 2.430 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSCC)CC1 1728667002 ZODNPUOQUVRIPL-UHFFFAOYSA-N 441.605 2.218 30 10 IEEE CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1Cc1ccc(C#N)o1 1728995475 TXSPJQRVFHIKOD-QGZVFWFLSA-N 439.472 2.398 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@](C)(C#N)C2)C1 1729594756 BHRHPAPDFBBLRT-RTWAWAEBSA-N 425.493 2.050 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)c(OC)c1 1730063758 FRESKOKZFPCKQW-UHFFFAOYSA-N 436.472 2.177 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C)nc1 1730845724 OXKNDHHJIDCRKD-MRXNPFEDSA-N 449.515 2.289 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1740551417 UMCOKNBAXAPZIN-RXVVDRJESA-N 425.533 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)(F)F)n1 1740659172 VOBGYZDEQDVQKV-UHFFFAOYSA-N 430.434 2.326 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2=O)cc1 1740674141 VYKZEQFTTUEDPX-UHFFFAOYSA-N 434.544 2.031 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740715156 DUBGTJLLFZYPTH-UHFFFAOYSA-N 431.566 2.102 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740794013 YKVUJJIVWCBBHA-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1741206419 CYVPLSWVMBPVEU-CQSZACIVSA-N 427.900 2.117 30 10 IEEE CCCO[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1745840026 MIBIRPSGCOCRNB-DPPKGPFUSA-N 428.537 2.467 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1748730392 LBQZIOWOBUAMBQ-OFNKIYASSA-N 442.564 2.144 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748834961 ZKGMRHZOMITKTJ-HXUWFJFHSA-N 425.558 2.004 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1OCCC1(C)C 1748846414 GLRJKUKDCQGEJG-FQEVSTJZSA-N 433.560 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)cc1 1748897218 XPNLWPRWCISOJX-UHFFFAOYSA-N 437.507 2.127 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1Cc1ccc(C(N)=O)nc1 1749072675 UOZVXDLFRVSPTH-XMMPIXPASA-N 430.512 2.434 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccn2)CC1 1749658435 QARZTXMXOCMFSV-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749690590 YIYJVLNSWZNHML-QFIPXVFZSA-N 446.573 2.443 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(OC)CCCC1 1750030100 SXQPFZPLVRHNFH-IEBWSBKVSA-N 432.569 2.138 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCOCC(F)F)CC2)nc1 1750384277 SZIWOYXISDBYNC-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE CC(C)=CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1750536991 ODLHUWLIKBMZDE-GOSISDBHSA-N 444.561 2.280 30 10 IEEE C#CCN(c1nnc(CC)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760186745 QPHKLLQQLYNYHO-VAMGGRTRSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1snnc1C 1760196890 MUNAPRDXHKSDMC-UHFFFAOYSA-N 438.513 2.252 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1760199343 XMBSHSFQLQRHJK-OAHLLOKOSA-N 432.933 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1760218023 UXZJLHZIINASFJ-MRXNPFEDSA-N 446.433 2.077 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@H]1C 1760248939 GEFPUQUNROFJGK-SQNIBIBYSA-N 433.553 2.329 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760279942 BVYTWENEVBFKAF-LJQANCHMSA-N 431.606 2.377 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760336272 WTVKWNYYQWSJRZ-HKUYNNGSSA-N 439.564 2.411 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CC1(O)CCS(=O)(=O)CC1 1760479054 ZPOJKBWGRKUDNK-UHFFFAOYSA-N 443.573 2.405 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)OC 1760479983 GYZZEOKFCKQBMX-QFBILLFUSA-N 429.546 2.279 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(c3nccs3)CC2)nnc1[C@]1(OCC)CCOC1 1760529052 VRHLRWSURMIQKT-NRFANRHFSA-N 446.577 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1760551027 QZVIJZHEIGNILI-KRWDZBQOSA-N 433.578 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1760556946 UWFOGBCKDWNQLE-OAQYLSRUSA-N 442.520 2.393 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)n1 1761940859 DBMAIOPNLCMHPX-PGRDOPGGSA-N 427.528 2.327 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCS(C)(=O)=O 1763772176 HOLPWIUJMLUKEU-SFHVURJKSA-N 444.605 2.420 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@H]1C 1765537481 AVGYAAVMJFJLAD-GOSISDBHSA-N 434.548 2.349 30 10 IEEE CCCN(CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1766032160 FLUTVIJKNAYGLA-IAGOWNOFSA-N 434.541 2.158 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)C1CC1 1767634300 IEDOOESLHKYFJL-JTSKRJEESA-N 427.505 2.146 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1768449844 SZFYNRGUNKEQKW-AYAKEVCGSA-N 435.488 2.076 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCn2cc(C)nc21 1769305227 SBBOQUUINRAHHI-LJQANCHMSA-N 432.532 2.472 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1770278041 NMRSHJOEVRYXBK-RBUKOAKNSA-N 446.502 2.398 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCSC(F)(F)F 1771219452 MMASUYSIPRUIGT-ZFWWWQNUSA-N 448.515 2.432 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1771470840 UOHRMJHJWHKCJM-QGZVFWFLSA-N 449.602 2.495 30 10 IEEE Cc1ccc(Cn2c(=O)c(C(=N)NOCc3cccc(C#N)c3)c3n(c2=O)CCC3)cc1 1848447094 RQHPKUGMOKPPRC-UHFFFAOYSA-N 429.480 2.231 30 10 IEEE Cc1nc(Cl)cc(N2CCC(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2)n1 1851165814 RAFUSTUMKDKAKM-INIZCTEOSA-N 428.880 2.285 30 10 IEEE C[S@](=O)c1ccccc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1851787572 HNBQSDJYQQWUAT-QTEAWJPNSA-N 428.510 2.232 30 10 IEEE Cc1[nH]nc2c1[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2C(=O)[C@@H]1CN2CCN1CC2 1851891245 HGNFVWIKTJYOSB-GHTZIAJQSA-N 446.555 2.235 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1cc(C#N)cn1Cc1ccccc1 1852901339 KUYOLGPPTBIEJG-UHFFFAOYSA-N 432.484 2.433 30 10 IEEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)cc1 1854524646 OFMPHBDBNORKOK-UHFFFAOYSA-N 425.510 2.248 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(F)c(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635251 BGHUHLXQFGVXSF-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3cccnc3)cc2)c1 1858678232 KFVICXJNNRVTBN-UHFFFAOYSA-N 435.465 2.394 30 10 IEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1861510849 RQCXXWJBWCLNFR-OAQYLSRUSA-N 447.491 2.398 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871619033 VUIDCEFVICTVRX-UHFFFAOYSA-N 430.560 2.450 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874279715 FKOBXDUYXCUCKT-XLTHYULKSA-N 432.506 2.267 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874471243 VPBGWGCEXYVGJU-VXLYETTFSA-N 447.502 2.445 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccc4c3OCCO4)CC2)CC1 1889438885 LYTYHOROIBDEJR-UHFFFAOYSA-N 441.572 2.108 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc(F)c(OC)c3)CC2)CC1 1890259552 DYSAELGDPREBDB-UHFFFAOYSA-N 445.579 2.415 30 10 IEEE CCn1cc(C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c(=O)c2cc3c(cc21)OCO3 1890874433 BECPYDZVADNFBD-OAHLLOKOSA-N 432.436 2.310 30 10 IEEE CC(C)(C#N)OCCn1cnc(I)c1I 1960681231 VOUCJPVWYHDIQO-UHFFFAOYSA-N 431.015 2.411 30 10 IEEE CC(C)(C#CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)NC(=O)OC(C)(C)C 2023918666 WOKXIFZMOUGTHF-HOTGVXAUSA-N 439.553 2.027 30 10 IEEE N#CC1CN(S(=O)(=O)Nc2cc(I)ccc2Br)C1 2046103371 FQEUCYLNDAKFLU-UHFFFAOYSA-N 442.076 2.166 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060636305 WOBXUFIVVGSWAC-CBZIJGRNSA-N 435.374 2.136 30 10 IEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060824456 XGIGQHLXPZIADC-PWRODBHTSA-N 442.560 2.495 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)n1 2121910255 MLNFZMHQFRMTHF-UHFFFAOYSA-N 432.149 2.135 30 10 IEEE Cc1cnc(N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224139311 JYWUJTFHPOCMEZ-HOTGVXAUSA-N 433.358 2.154 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229105024 SNWBIXDVFYDMPQ-HOTGVXAUSA-N 425.323 2.385 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C 2235723580 ULTOBXNYQKAABS-HLIPFELVSA-N 439.350 2.433 30 10 IEEE C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2243387557 WLPXXUWHBFQULK-NWDGAFQWSA-N 425.360 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247918376 KGKMCYMKQOACKX-FQEVSTJZSA-N 440.371 2.053 30 10 IEEE CC1(C)OB(C#CC(=O)N2CCC[C@@H](N(CC(F)F)C(=O)C(F)(F)F)C2)OC1(C)C 2255602664 VSKQXKTUVIEAQN-GFCCVEGCSA-N 438.202 2.268 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620828 ZTMUMMJRFXFJPU-GJZGRUSLSA-N 434.346 2.275 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)n1 2255636060 PCLOLNRAZDMOCV-UHFFFAOYSA-N 436.362 2.235 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255824378 GYXZGTYQOILFCE-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)Nc1ncc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)s1 2255825894 HJFIXRINIVFIKZ-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843183 COCRIRZKHYGFQR-CQSZACIVSA-N 434.346 2.103 30 10 IEEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2255976571 DYWSTJMIFHYEAG-GFCCVEGCSA-N 436.314 2.040 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)co2)OC1(C)C 2267011187 AOABEBLCVOCPDM-WOJBJXKFSA-N 438.333 2.304 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 2267128944 VPPAXNOVRJIOAH-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOC1 2267270596 MGWUQKHBNYOOJY-HSZRJFAPSA-N 446.353 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2267519572 IJHZEPYNRUCIOV-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE CN(C[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267523072 ZEDTXNRLEHBPAE-OAHLLOKOSA-N 448.373 2.428 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267871460 AVXZGKTWXJPKPT-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268698972 DAWXOUGBCYSOGV-OAHLLOKOSA-N 448.373 2.164 30 10 IEEE Cc1nc(NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268771443 DHFVLCUAKFCWTR-UHFFFAOYSA-N 444.341 2.329 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3C[C@@H]4C(B5OC(C)(C)C(C)(C)O5)[C@H]4C3)C2)C1 2268990110 RMOZQMFFSOJKIW-IRXDYDNUSA-N 447.385 2.088 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)CO2 2320055881 KUIQUSDQEJLACC-MCFFVMPBSA-N 434.342 2.057 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)N3CCCC[C@@H]3C)n[nH]2)c([N+](=O)[O-])cc1O 59820591 WXVWUIDYKOWIOO-LOMXTUQMSA-N 449.493 2.366 30 10 IEEE COc1cccc(N2C[C@@H](C(=O)NCC#Cc3ccc(N4CCOC4=O)cc3)CC2=O)c1 96349906 SEXSOOMTMXTGOI-SFHVURJKSA-N 433.464 2.173 30 10 IEEE O=C(O)CSC1=C/C(=N/S(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2C1=O 109199019 XCAUVYVTHFXMNJ-HKWRFOASSA-N 431.447 2.461 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)ccc1F 111077883 AXBGMHAVHJNYDB-SFHVURJKSA-N 429.477 2.053 30 10 IEEE CC(C)(C)C(=O)C=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1Cc1ncccn1 447412869 JDAMOAUPMUGOGY-UHFFFAOYSA-N 440.475 2.122 30 10 IEEE N#Cc1ccc(OCCNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 460294575 YITWYKTVWKMMBA-UHFFFAOYSA-N 427.526 2.471 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cn1 461293583 YYSNMRMSIPANNB-KRWDZBQOSA-N 442.435 2.166 30 10 IEEE CN(C)CCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481018937 FSEPCZVJMRBYCB-UHFFFAOYSA-N 446.548 2.290 30 10 IEEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CCCC1 481489118 DJGISWNSPYULHO-HNNXBMFYSA-N 426.336 2.336 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 491030412 VMWMFKZMMKCJGM-SFHVURJKSA-N 432.528 2.430 30 10 IEEE CS(=O)(=O)Nc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1F 504678746 WFIBSNXUFLTLEI-KRWDZBQOSA-N 448.501 2.223 30 10 IEEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(Oc2ccc(C#N)cc2)CC1 507847484 NQQKRDKMQVJBCK-HNNXBMFYSA-N 428.514 2.076 30 10 IEEE CCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 521250644 BUWCMSFCUKGXBE-UHFFFAOYSA-N 429.498 2.355 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCO3)c1=O 523305846 MLIHUHRKWOGOAP-UHFFFAOYSA-N 442.562 2.264 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1 539674762 IOYDKFLPCFSZCR-UHFFFAOYSA-N 432.524 2.438 30 10 IEEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544863661 TXHRJHIVFWUZFY-NRFANRHFSA-N 438.507 2.265 30 10 IEEE C=CCn1c(Cc2noc(CCC(=O)c3ccc(F)c(F)c3)n2)nnc1N1CCOCC1 547065713 CMUBKOYSDODNJE-UHFFFAOYSA-N 444.442 2.368 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCCC1 551199573 ACOFJXGBDCGPNG-NRFANRHFSA-N 444.601 2.209 30 10 IEEE COc1cc(CNC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)ccc1C#N 569467074 UKAYNWDIMJBPBN-OAQYLSRUSA-N 433.512 2.200 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)CC1 590064796 KWGCJHGPFYVWEX-HNNXBMFYSA-N 433.472 2.186 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 604523568 KQYKRQYNEMKBFQ-UHFFFAOYSA-N 447.538 2.178 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 729184940 YEUWTZYCZRUCHV-KRWDZBQOSA-N 449.941 2.373 30 10 IEEE COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731862462 FYFCZZODJGYWHR-BSYVCWPDSA-N 434.452 2.204 30 10 IEEE CCOc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N(CC)CC 732696970 UZFGZBSWSOBINN-SFHVURJKSA-N 449.577 2.320 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccc(OCC#N)cc1 733383891 FWONNBFATADKSJ-UHFFFAOYSA-N 430.482 2.275 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(I)cc2)cc1C#N 747496205 ZYNGDDJYMSISEY-UHFFFAOYSA-N 435.221 2.426 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1)c1ccc(C#N)cc1 752582229 OCEXPRDXXWACHB-KKSFZXQISA-N 438.436 2.386 30 10 IEEE CO[C@@H]1C[C@@H](N2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)C1(C)C 753357003 DARXGJCNMIAKQM-RCCFBDPRSA-N 432.590 2.500 30 10 IEEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 753920807 LTMGLYZVEJPIAW-FQEVSTJZSA-N 433.464 2.487 30 10 IEEE C#CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CCCC1 757180370 GZWJQXWZZRNQBU-UHFFFAOYSA-N 445.541 2.174 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 757595767 UGQDVKSJIUQSHY-CVEARBPZSA-N 428.489 2.067 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC(F)F)sc(=Cc2ccoc2)c1=O 775656912 PLHADOQWSRJKCI-UHFFFAOYSA-N 446.431 2.137 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 776981599 VJGWACBOCCULAV-UHFFFAOYSA-N 444.532 2.484 30 10 IEEE COc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)c(OC)c1 789966693 HMWGQJUWVVBQGV-MRXNPFEDSA-N 428.518 2.324 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(O)(c2ccc(F)cc2)C1 791166998 KOFAWUXSJDPHDY-UHFFFAOYSA-N 445.516 2.155 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 796098152 SNZDTAQPEOESBS-LJQANCHMSA-N 432.567 2.384 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nccn3C)[nH]n2)cc1 801615582 AQBYBWYZWZABFS-UQQQWYQISA-N 442.505 2.267 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1C[C@@H]1C(F)F 807935114 PZLQOBOSGGNZCB-NOLJZWGESA-N 440.516 2.348 30 10 IEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC)[C@@H]1CCS(=O)(=O)C1 812044787 NXVBLQXKCSXMHP-DLBZAZTESA-N 432.546 2.463 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3CCS(C)(=O)=O)ccc2c1=O 816805921 MMSJCJPBVVXLPN-OAHLLOKOSA-N 435.571 2.301 30 10 IEEE CN1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 849583054 QZVPFPZRWSGGDP-MOPGFXCFSA-N 426.952 2.329 30 10 IEEE CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1125790758 FZRNVPHHKKCBAW-YOEHRIQHSA-N 434.949 2.334 30 10 IEEE COC(OC)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1130352173 BOPRAABJXRLFNZ-QUCCMNQESA-N 436.468 2.240 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N(CCC#N)Cc2ccccn2)C1=O 1136680737 RXWDHNJBRHYVPJ-SFHVURJKSA-N 429.521 2.087 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCNc2ccc(C#N)cn2)cc1 1141486771 BXRKVJROJWFWSE-GOSISDBHSA-N 425.514 2.095 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2cc(C(=O)OC)ccc2NC1=O 1157209505 USCMMTFYTQPEOB-MSOLQXFVSA-N 443.500 2.149 30 10 IEEE C[C@@H](CC(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1165488620 BVOQUGMJKLKBDD-SQWLQELKSA-N 435.546 2.225 30 10 IEEE CN(CCC#N)C(=O)CCN(Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1170979877 BWLGKQZERQFCIP-WOJBJXKFSA-N 430.549 2.231 30 10 IEEE CCn1c(=O)c(C(=O)CN2CCCc3c(C#N)cccc32)c(N)n(Cc2ccccc2)c1=O 1171745833 DLFODZNRDAGSRV-UHFFFAOYSA-N 443.507 2.168 30 10 IEEE C#CCOCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1181747216 MLWBHBOPFBYJEC-UHFFFAOYSA-N 447.469 2.126 30 10 IEEE COc1ccc(-n2cc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)nn2)cc1 1183324312 FAFYXYVKPIUAQA-UHFFFAOYSA-N 443.261 2.073 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)[C@@H]1CCCO1 1234626361 KIHBIPRFZONTCN-PMACEKPBSA-N 433.574 2.117 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1Br 1275014584 YSWYZJSQCPFONV-UHFFFAOYSA-N 446.261 2.352 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC=CO2)c1 1286309407 RVDDHCXKOFEYLC-FQEVSTJZSA-N 448.527 2.263 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286388925 CVMLNBUGZASKQV-VQTJNVASSA-N 445.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1286472347 GZJFJTLWIUAGLF-HSZRJFAPSA-N 442.564 2.019 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@](C)(O)c2ccccc2)CC1 1286495174 RXVDOAHUKYQQCW-XMMPIXPASA-N 439.560 2.078 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1286608049 XHYUNUBAZUQGAI-UHFFFAOYSA-N 426.500 2.132 30 10 IEEE CC(C)(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1287045582 LDIPKLKHZWCYDC-INIZCTEOSA-N 446.577 2.004 30 10 IEEE Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C2)n1 1290582338 UJSCXGYNLDESHA-HXUWFJFHSA-N 447.547 2.345 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1291296408 LYOTUNPOGIEQGD-VQIMIIECSA-N 431.562 2.360 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCOC1 1298187777 KREUIJLVVPXELW-AZUAARDMSA-N 427.505 2.149 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1298283747 MYWXKLQXKYQDMI-LSDHQDQOSA-N 442.483 2.308 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1299335204 PUFGCLKERMHZJM-SFHVURJKSA-N 448.483 2.116 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1300269964 ABBCMQMCMYPUTN-CVEARBPZSA-N 446.577 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300317206 MEXKNQSPRRGTGF-AZUAARDMSA-N 429.590 2.193 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(=O)NC 1300459009 OQONNIWIVCTKTI-UHFFFAOYSA-N 432.569 2.234 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300484853 SFLKNDRLLYFGJU-QGZVFWFLSA-N 432.546 2.094 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCCN1CCOCC1 1300538002 KOLHXCITMGJODS-UHFFFAOYSA-N 427.499 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1300548271 YQQIAGUJGSIPBC-FDDCHVKYSA-N 443.548 2.228 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N(C)C)CCSC1 1300553719 QIGZJSDTOUJIRC-JOCHJYFZSA-N 430.622 2.097 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)c1ccccc1 1300663469 CTDMUOPFXXWKJI-UHFFFAOYSA-N 439.541 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)SC)CC1 1300732096 KMTWKFMRHGVCTB-ROUUACIJSA-N 449.621 2.110 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCS1(=O)=O 1301289579 LSWCUPNALMGZBU-UHFFFAOYSA-N 428.518 2.258 30 10 IEEE C=CCn1c(SCC(=O)NC2=NCC(=O)N2C)nnc1-c1ccc(Cl)cc1Cl 1301593703 RWNHCQKJPAXXCH-UHFFFAOYSA-N 439.328 2.474 30 10 IEEE CCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1306684460 OHCOURCVJCFTCZ-UHFFFAOYSA-N 448.579 2.004 30 10 IEEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1307962596 UOCDVVVRHPHTLP-LJQANCHMSA-N 431.602 2.296 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1 1308016862 QQSLJKZUUSZBIJ-MRXNPFEDSA-N 444.557 2.319 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@H]1C 1313941375 BWXPSBWNSIXSPD-WIYYLYMNSA-N 440.548 2.065 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313952804 HJHHKPUZSVNPDA-XMSQKQJNSA-N 426.544 2.056 30 10 IEEE CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1315069818 ICPVCPDHKIUWBZ-SFHVURJKSA-N 428.562 2.035 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1316101684 MMLCMZSZBWLFTC-OFNKIYASSA-N 440.548 2.359 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCN1CCOCC1 1316295477 YMAFCFAKHRJMLZ-SXWKCWPCSA-N 446.596 2.245 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCOC2)cc1C 1329604494 WVVQDFLYVATZAS-RXVVDRJESA-N 449.559 2.360 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1358885404 JNWMTXSQEISWLN-AWEZNQCLSA-N 430.516 2.049 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCC1 1358949554 GMBYZRQSMQHIEQ-GOSISDBHSA-N 432.569 2.142 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358955210 HHWWPEHIZFNBCU-AQNXPRMDSA-N 435.638 2.396 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1359048421 QIMLARGETHCJKE-KRWDZBQOSA-N 449.540 2.345 30 10 IEEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)c2cc[nH]n2)CC1 1359181250 MEHVIFSKLUWAHR-UHFFFAOYSA-N 435.532 2.455 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1359261100 WPXIALOHPJSAIH-SFHVURJKSA-N 429.496 2.102 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1359281599 FEVQEWKVKKKLJI-LJQANCHMSA-N 425.533 2.145 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359304639 DSQCCOKZUIEEEB-YZGWKJHDSA-N 425.533 2.329 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCS(C)(=O)=O)C1 1359325777 MOXVOZJCIFCGDA-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO[C@H]2C(C)C)CCOC1 1360348621 YXAQJVYBIJKIAL-ISHFTEKXSA-N 447.580 2.499 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@H]1C(F)(F)F 1460752426 SZKFZUKFMLNSAI-GXTWGEPZSA-N 440.426 2.442 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)CCS2(=O)=O 1469469758 BMTPITFLPXUVCA-KQNFGGRRSA-N 433.530 2.230 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(n3c(O)nc4cccnc43)CC2)c1 1471825501 KPMVLAIULWHFIV-UHFFFAOYSA-N 438.509 2.411 30 10 IEEE C#CCN(C(=O)[C@@H](C)Sc1nnnn1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882140 JIINYWUBOGOUQJ-CQSZACIVSA-N 434.566 2.350 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)nc1 1471984192 QZEJNZDGIKVQSJ-KPFFTGBYSA-N 434.418 2.167 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCc3nnc(S)n3C3CC3)CC2)c1 1478893791 NXIJSHWPFCWQFO-UHFFFAOYSA-N 439.545 2.376 30 10 IEEE CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1499581629 HKDOTRCWFUQUTR-WMZOPIPTSA-N 428.562 2.335 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1507622431 JCYXKXZIJVOQQO-SFHVURJKSA-N 445.589 2.434 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507646365 NQBJDIGXPAMABH-SFHVURJKSA-N 432.450 2.066 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507755849 IYAUFNTZEONCCP-QGZVFWFLSA-N 436.578 2.388 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)CC1 1507786538 XVKCKUYAWFNUPX-MRXNPFEDSA-N 440.386 2.382 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1507998601 QUZYVKPATDWLFP-OKXSDPAFSA-N 443.573 2.342 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1508012977 LCDHAHTVVLPMOW-ICSRJNTNSA-N 440.596 2.044 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1 1516850476 GWQBSAPBTZEIJT-UHFFFAOYSA-N 444.561 2.048 30 10 IEEE Cn1cc(I)c(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)n1 1521697736 RYVUSWVBJVZLSD-UHFFFAOYSA-N 446.252 2.227 30 10 IEEE C#CCCOc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 1525354025 BWSOSPPGCASQBR-UHFFFAOYSA-N 442.537 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539312803 ZYIPTDJBOCKXCO-SFHVURJKSA-N 429.532 2.237 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539517080 IFWXSSFYBTZDJY-HZSPNIEDSA-N 436.525 2.181 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1539541781 LQLKOVJNIXJEJL-RTWAWAEBSA-N 438.594 2.136 30 10 IEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1539939259 FWBDBYCENRLWOU-LJQANCHMSA-N 434.548 2.500 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1540857490 AXOCXUPBQQIHQV-QGZVFWFLSA-N 429.496 2.225 30 10 IEEE COC[C@]1(C(=O)OC)CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543078370 WZKFSKKIUJSTMI-VFNWGFHPSA-N 433.892 2.135 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)s1 1545538487 DSTJNHWNGFVCQO-CYBMUJFWSA-N 440.978 2.198 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1546063037 COBAJHKHWNICHO-QGZVFWFLSA-N 432.952 2.381 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1546800829 WHPWFUSIQGUJRB-VOFKWLDRSA-N 444.561 2.213 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1547525702 DTSRFBXWRFZJBP-UHFFFAOYSA-N 441.499 2.119 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C 1557112842 NURRXPVOIDVCLP-VKJFTORMSA-N 435.546 2.194 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 1557561019 LBIODSVQRWLWQR-UHFFFAOYSA-N 445.495 2.128 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1559732434 HIAYUHRFBAPEET-LEWJYISDSA-N 441.553 2.155 30 10 IEEE Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1CCN(C(=O)CC#N)CC1 1566318288 XXUFWAOLVWNQMK-UHFFFAOYSA-N 433.629 2.329 30 10 IEEE CCOC(=O)Cn1nc(C)cc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1583291390 JONGZPIVBJPHLM-JXORXQGFSA-N 445.520 2.480 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)CC1 1585000343 YBHVKEOVZIJSEI-UHFFFAOYSA-N 441.478 2.441 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1587851649 LMZPNYOIJYOZMM-ZWKOTPCHSA-N 439.495 2.182 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(OC)CCOC2)CC1 1588780795 WVKDQGXCYNCJOA-NRFANRHFSA-N 433.915 2.298 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOCC)CC1 1589516201 YALBQLBWXQIPNN-TZIWHRDSSA-N 426.565 2.480 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCS(=O)(=O)NC 1595127570 UJYLJRUPILDHJJ-UHFFFAOYSA-N 430.509 2.221 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CC=CCC1 1595496808 IBPDIDSXAZHVBC-KRWDZBQOSA-N 443.573 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](OC)C(C)(C)C1 1595506752 LQEZXVRGAMGFJK-SFHVURJKSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OCC)CC1 1595517306 WUHJQFYNGDIODW-UHFFFAOYSA-N 449.515 2.074 30 10 IEEE COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1OC 1596591122 YQEUQGKIXGVEAN-UHFFFAOYSA-N 440.456 2.463 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)cc2)C[C@@H](C)O1 1597706358 ZGODXRZSWXOPDH-WHSLLNHNSA-N 439.537 2.253 30 10 IEEE CC(C)NC(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1609522111 AHKUPOYKZQRDKZ-YJBOKZPZSA-N 430.484 2.201 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)o1 1612060169 BBTWTZXJWIVGBK-UHFFFAOYSA-N 443.529 2.416 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1612120049 KIMBNMZAJGQENF-KTVWJZFRSA-N 449.515 2.430 30 10 IEEE CCCCOCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1614568992 FSAQDGHOLFWJLK-GOSISDBHSA-N 447.561 2.284 30 10 IEEE CN1CCN(C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)CC1 1616256113 FEZSFYCTJDBJJV-UHFFFAOYSA-N 447.539 2.262 30 10 IEEE COC(=O)[C@@]1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC(C)(C)C1 1618115173 MHEPGIFACYKNSW-GAJHUEQPSA-N 440.500 2.391 30 10 IEEE N#C[C@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C[C@H]1CS(=O)(=O)C2 1618172026 XHDRIUSGNXCQPV-VBKZILBWSA-N 427.438 2.397 30 10 IEEE C=C(C)C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1625184308 ORHMNMYDVAPYHY-INIZCTEOSA-N 425.503 2.026 30 10 IEEE O=C(N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)[C@@]1(F)CCS(=O)(=O)C1 1627107951 HZVQUPIVZNEUBY-ZXFLCMHBSA-N 433.292 2.143 30 10 IEEE CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](c2cccc(C(F)(F)F)c2)O1 1628708214 HEAHMCLSSLBOBK-OAHLLOKOSA-N 436.390 2.218 30 10 IEEE NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)o1 1639782697 LVWVNAPZUTUOTK-OLQVQODUSA-N 442.284 2.170 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 1640516210 FEOLLRGKLVLCPF-HNNXBMFYSA-N 427.498 2.321 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1642609402 PNILXKLMEBJVQS-QGZVFWFLSA-N 429.583 2.263 30 10 IEEE O=C(C[C@@H](c1ccccc1)N1CCOC1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221150 PSHREXKQVNKQNP-IBGZPJMESA-N 437.452 2.474 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1654001484 HDMPJSJKMZEUFI-FQEVSTJZSA-N 439.581 2.408 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)CN2CCc3c(cccc3S(N)(=O)=O)C2)cc1C 1654603920 GRDIWKUBXZAQPN-UHFFFAOYSA-N 426.542 2.256 30 10 IEEE N#Cc1sccc1N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1659412315 OWKQSUORPKJYLK-UHFFFAOYSA-N 443.548 2.034 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682021433 GMGPWMBOSICZJR-CEXWTWQISA-N 426.517 2.469 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnccn2)CC1 1689920653 GDPLXWIROLOUJC-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1690077204 KTLHMLCLCLMTBH-DLBZAZTESA-N 432.546 2.116 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)Cc1ccccc1 1690082903 SKEWQAUETVXEPZ-UHFFFAOYSA-N 440.573 2.214 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CCOc2ccccc2)CC1 1690175010 NZHXBLIIDJLILT-FQEVSTJZSA-N 441.601 2.349 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690183447 ZDSDEZRNXKAJSE-FQEVSTJZSA-N 441.601 2.361 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1690312750 BWFKRXODLWPWMQ-RTBURBONSA-N 438.594 2.168 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1690670911 LVFAADCBTPCPRA-OAQYLSRUSA-N 438.576 2.453 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690675776 FARHTDSBBCVQLT-DLBZAZTESA-N 429.496 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690715829 VWRBKTRQEOHHJQ-OXQOHEQNSA-N 426.583 2.167 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1692666247 WPNRHAYDJXWJNY-VQIMIIECSA-N 442.589 2.349 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694089809 GUEHPHHIGDYSCR-FWRKBDRZSA-N 441.580 2.383 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1695064925 IDTQXACOHXNZRE-ICSRJNTNSA-N 440.548 2.447 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1696677199 YRADJEOFNGHJJA-QFIPXVFZSA-N 448.575 2.424 30 10 IEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1697439118 BAKKLXPEHMVGPF-UHFFFAOYSA-N 442.520 2.230 30 10 IEEE COC[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697857130 NNILQMUKNKGQAA-QQMHEVNUSA-N 428.537 2.325 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)(=O)CC1 1705664405 OAFVKEITRGZNSC-UHFFFAOYSA-N 434.587 2.075 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705754691 DDJQZWGRYCTLMF-LSDHHAIUSA-N 440.957 2.083 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)no1 1705864100 QZVXRHOPQOCGEO-CQSZACIVSA-N 436.563 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705932611 WTHFOKUKZPVFCG-HOTGVXAUSA-N 436.607 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705935580 WANPJCAFGZXKQE-KRWDZBQOSA-N 439.626 2.209 30 10 IEEE CCCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1709677593 QQNVRDMSFHMLDT-LJQANCHMSA-N 425.537 2.192 30 10 IEEE CCC[C@@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1709889183 LWAQJOGRJVXNAM-UYAOXDASSA-N 449.559 2.351 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCO[C@H]1CCOC1 1710748796 CXOMKASCUCQHBK-LEWJYISDSA-N 441.532 2.460 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1711126817 AKPQFILMQXIBOU-SSEXGKCCSA-N 426.502 2.264 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C 1722354273 CJQXTRBQLMJZRU-BZSNNMDCSA-N 433.553 2.329 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722359246 KAWGENJOQZJXEF-RDJZCZTQSA-N 428.514 2.353 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccsc2)CC1 1722560069 PFTHLKOCDHSKTD-KSSFIOAISA-N 425.580 2.014 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cccs1 1722634921 WJNVZVDBWRLHHD-UHFFFAOYSA-N 435.517 2.035 30 10 IEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722687854 OULGVQOFZOOSFV-HXUWFJFHSA-N 438.532 2.427 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)C2)cc1 1722704069 BOLZCJGZFLJHKE-SFHVURJKSA-N 446.573 2.409 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2C)C1 1722711994 YEKNQSRFEDTBCF-UGKGYDQZSA-N 430.553 2.190 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCSC1 1723928527 HNNVEFIUPUBTMN-GDBMZVCRSA-N 426.612 2.162 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C#N)CC1 1729737755 FRUWTOKKQWRHDD-UHFFFAOYSA-N 439.545 2.091 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@]2(O)CCN(C)C2)c1 1740562931 OLJXFHQIIZAIPX-DEOSSOPVSA-N 436.560 2.059 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1740618534 IUKHNGCMRPGUSG-IBGZPJMESA-N 444.557 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1ccc(C)cc1 1740642679 URCHZLKONFFEPP-UHFFFAOYSA-N 432.553 2.445 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)(F)F 1740677249 RYERYGPLFTVKJJ-OAHLLOKOSA-N 439.413 2.239 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1c[nH]c2ccc(F)cc12 1740678108 AFGQJVWHMCJIMQ-UHFFFAOYSA-N 438.507 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCOc2cccc(OC)c2)CC1 1740696220 OLFRWKNHTAOQJO-IBGZPJMESA-N 425.533 2.015 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N(C)C 1740733409 CAUAFXCUAGHKIF-OAQYLSRUSA-N 431.562 2.049 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1740774118 MIWULYNSTMAUMD-QGZVFWFLSA-N 439.607 2.432 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1740800963 XEQVPCVYHOWPKT-SFYKDHMMSA-N 425.533 2.417 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(F)c1 1740963534 NWTCSVBGCKRDDC-UHFFFAOYSA-N 442.520 2.347 30 10 IEEE CC(C)(C)c1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741175327 XIHDAERITZNFEH-ISLYRVAYSA-N 428.537 2.109 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](F)COC)c2ccccc2c1=O 1746470608 LIMLQGZLJRGQBU-GJZGRUSLSA-N 427.484 2.255 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1 1747427502 HWENVEBIBBFJGY-NRFANRHFSA-N 445.593 2.450 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1748638220 LEZGONGWRPHVBZ-INIZCTEOSA-N 431.500 2.133 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748643041 SZTRNIDAMUETED-GBESFXJTSA-N 442.564 2.128 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1748700065 WBVWMCCNMMPXNB-GOSISDBHSA-N 445.589 2.180 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1748700066 WBVWMCCNMMPXNB-SFHVURJKSA-N 445.589 2.180 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1748810015 ZACNPKFOGOLSFY-GOSISDBHSA-N 433.578 2.205 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1749010949 SSVREFFSAATXLR-QFIPXVFZSA-N 445.571 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749135555 FZNXSFPMXUBBFH-JBPLPALLSA-N 444.580 2.361 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cncn2)C1 1749695360 AOHBFCZCMGYFCU-QGZVFWFLSA-N 425.493 2.035 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1749761205 XRGMVHPCXDZWLC-SFHVURJKSA-N 426.546 2.363 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(F)(F)CO2)C1 1750378790 MKQJGHRLDQGDQR-YVEFUNNKSA-N 440.451 2.136 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1751176370 YUHVMRPTFOTZHP-XJKSGUPXSA-N 439.488 2.110 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)(F)F 1760104651 BZWNUSAMGXPQAT-GFCCVEGCSA-N 425.411 2.099 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1760192972 QALPUTGZCBUJQV-IAGOWNOFSA-N 449.602 2.072 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1760241458 AEABIUGQMVBLAI-LJQANCHMSA-N 445.564 2.055 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CN(CC(C)C)CCO1 1760247695 LKVNXSRTILNPKU-FQEVSTJZSA-N 426.565 2.091 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C)c2nc(-c3ccccc3)no2)CC1 1760266237 UACUMQFPACPSTR-INIZCTEOSA-N 433.516 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@@H]2C[C@H]2CF)CC1 1760266708 JNBALMIABATBQY-FXAWDEMLSA-N 441.507 2.459 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760277215 DFMIIIUCLJZUME-WMZOPIPTSA-N 444.513 2.443 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760284052 GGQLENDJBVSHOH-FPOVZHCZSA-N 440.617 2.177 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCCOCC)C1 1760305952 WWPDQCLUFCXFIR-HNNXBMFYSA-N 425.331 2.219 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCNC(=O)C(C)C 1760324746 MELOMZQKOBDXRT-NQIIRXRSSA-N 426.565 2.454 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1760523058 KXRONNFNSDPCKA-HXUWFJFHSA-N 434.548 2.086 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1760548019 WLUDWPYRWWRMNI-XXBNENTESA-N 441.532 2.125 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1761269687 ATXORQLOTLCUDH-MOPGFXCFSA-N 428.562 2.227 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1761439948 IERKMZDHRLDNNK-INIZCTEOSA-N 445.568 2.415 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)C1 1761542112 BSDYCAFKYWIVTP-PXAZEXFGSA-N 432.422 2.276 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1763448857 ALRBHMAAWFUXHX-PXNSSMCTSA-N 449.563 2.333 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1769366468 PLBAKCCTQMVOPH-LJQANCHMSA-N 441.557 2.424 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1)NC(=O)OC(C)(C)C 1770652033 BEBDACOTQKQUFD-MRXNPFEDSA-N 445.568 2.444 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccccc1)N(C)C 1771224027 ZVIXGNKHNPGOPK-HOJAQTOUSA-N 428.537 2.034 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCCN1CCOCC1 1771293360 JLGHZCLZCSFSHC-SFTDATJTSA-N 446.596 2.245 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772788764 GHSQROPCOSCYNG-QRKUABHPSA-N 444.443 2.364 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)[nH]n3)CC2)CC1 1848976983 DEVAXMBBPXPSDI-UHFFFAOYSA-N 435.484 2.420 30 10 IEEE Cc1nn2c(NC(=O)c3ccc(N4CCC(N5CCOCC5)CC4)cc3)ccnc2c1C#N 1851446025 WAAACIBZUVIOGC-UHFFFAOYSA-N 445.527 2.463 30 10 IEEE Cc1[nH]nc2c1[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2C(=O)Cn1ncccc1=O 1852491231 LKCASAUXIGIQJR-OAQYLSRUSA-N 444.495 2.492 30 10 IEEE C=CCN(C(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1)[C@@H]1CCN(C)C1=O 1852784521 LUFBITCQWYULHF-JOCHJYFZSA-N 433.556 2.263 30 10 IEEE N#Cc1ccc(C(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)cc1 1852844346 UHUHNMQPRHCCPI-FQEVSTJZSA-N 426.494 2.321 30 10 IEEE C=CCN([C@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854174277 CGRZWKADUBJWKE-MSOLQXFVSA-N 431.920 2.149 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2c(F)cccc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855733962 DHGFZATVCKHQGW-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855824216 KGBOICKCILITSS-ICSRJNTNSA-N 437.606 2.139 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)nc12 1857306764 ZPGYYLKYPMQXIA-HNNXBMFYSA-N 427.530 2.104 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)N1CCOCC1)CCO2 1858461351 HWUGHKPZYNODMP-UHFFFAOYSA-N 428.470 2.010 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCO)cc(OC)c1O 1862420753 ACKOMDOFXOZTAO-KRWDZBQOSA-N 435.379 2.258 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)ccc1O 1862759305 ODRSKSVCCUKWNW-GOSISDBHSA-N 428.397 2.270 30 10 IEEE COc1ccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(C#N)cc3)c(C)o2)cc1 1866675437 JEVUGVBYXQTTSB-HXUWFJFHSA-N 434.452 2.189 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(c3ccccn3)CC2)nn1C 1870052744 HKJHXXQMULASOO-UHFFFAOYSA-N 449.515 2.119 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c[nH]nc4c3)CC2=O)cc1 1870159106 GCZCRUMGKQHBIU-CQSZACIVSA-N 442.439 2.015 30 10 IEEE CN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCn2ccnc2)CC1 1870350635 PCTWRDLSCBMDLI-UHFFFAOYSA-N 446.555 2.333 30 10 IEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579522 ALLLEPDGMOSRNQ-UHFFFAOYSA-N 434.560 2.470 30 10 IEEE CCOC(=O)Cc1ccc(N2CC(=O)C(c3nc(C)c(C(=O)OCC)s3)=C2N)cc1 1873920186 BDONVTZQXVDHEZ-UHFFFAOYSA-N 429.498 2.450 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874340612 PQYZUBVNPROMDG-ORWNMUSCSA-N 445.545 2.146 30 10 IEEE NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874455433 RPHGHFXWZRBWJF-AWQFTUOYSA-N 432.462 2.075 30 10 IEEE N#Cc1ccc(CC(=O)N2CC[C@@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 1889938277 KELYAXUAVGNVPR-OAHLLOKOSA-N 430.390 2.485 30 10 IEEE N#C[C@@H]1CC12CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 1892070048 DBLUHTISRIFQQR-YJBOKZPZSA-N 432.502 2.290 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 1985009451 QCPGRHZYFSSUIA-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 2011920738 XSTZNBZWUDUZAZ-HOTGVXAUSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224077960 BQSMBOYDYQVDQJ-JOCHJYFZSA-N 433.358 2.237 30 10 IEEE Cc1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224100306 OZUHZBYCDTUBCY-IRXDYDNUSA-N 433.358 2.471 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247907868 JTOBAHPLAUVUJJ-KSFYIVLOSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2248405680 SOGAGJLLSUHWDP-HNNXBMFYSA-N 440.733 2.463 30 10 IEEE CCN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255630697 NSZZOUQESPWUDY-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C 2255633086 WDARJYXDJVRUIQ-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255878191 UQGBHPRRHOVWHY-KDYLLFBJSA-N 431.342 2.414 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@H](C)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256594669 BHYYMBHHGSRZSZ-DOMZBBRYSA-N 432.330 2.278 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256628308 GSNHFJDGBXHQPL-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2258956221 CUXVPISIDQKXHM-IAGOWNOFSA-N 436.358 2.305 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126426 APAFIAOJQQMOFX-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE CCn1cc(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267188174 IWCLRRKYZDKDQH-OAHLLOKOSA-N 446.357 2.108 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267224028 NHKRUNMOMUMLLI-STQMWFEESA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267270659 MVFFKSRGMCMKEU-GOSISDBHSA-N 446.353 2.352 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267504514 TWVHITYSOYKRRH-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550689 CPIVYKHRCADFTM-HUUCEWRRSA-N 446.357 2.009 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2268649708 FMTIYJTVPFTQCM-HZPDHXFCSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2312861776 YUXOHGJUJFASBI-YJNKXOJESA-N 438.330 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2315694341 XZGBDMHMGTZGQZ-GJZGRUSLSA-N 449.382 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315698081 CFXDTLOGFHBCOG-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2320417986 AAIOEEUQBZKMBO-SFHVURJKSA-N 426.322 2.078 30 10 IEEE COC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(O)cc1O 2328499511 HNYQZLZUJNYACW-UHFFFAOYSA-N 443.441 2.336 30 10 IEEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 109933766 JRZJUCGXJTUTMQ-IBGZPJMESA-N 435.509 2.208 30 10 IEEE CCN1CCN(CCc2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)C(=O)C1=O 445386013 PCMHWVVTZSVCFN-UHFFFAOYSA-N 432.440 2.029 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 460812702 YGNIKVUUUHFARC-KRWDZBQOSA-N 433.520 2.385 30 10 IEEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC(C(=O)N4CCCC4)CC3)n2)c1 501422304 LGPJZGWVBQFWMV-UHFFFAOYSA-N 437.525 2.481 30 10 IEEE C=CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1 506125044 KGWZICLPVPEXON-UHFFFAOYSA-N 428.514 2.340 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 508816912 LLRVYMMZWFMIFW-INIZCTEOSA-N 432.956 2.204 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 508935262 NALVGVBCRGZZQX-UHFFFAOYSA-N 442.568 2.206 30 10 IEEE COc1cccc(N2C[C@@H](NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC2=O)c1 510325166 UCQYDSZOJCXANC-FQEVSTJZSA-N 433.512 2.200 30 10 IEEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C1 521297778 XXNVRVJPNPMKDA-DOTOQJQBSA-N 438.981 2.213 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2ccccc2)c1=O 523090184 GWKQEKXWKHIHLU-UHFFFAOYSA-N 434.517 2.341 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 553277143 AZNMIHCXAZCQDQ-ICSRJNTNSA-N 430.524 2.198 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)ccc1Cl 555374752 IARVMVJPDXPPGI-MRXNPFEDSA-N 436.873 2.347 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1Cc1ccccc1 610487847 SMLNROVWQFNBEQ-QFBILLFUSA-N 445.544 2.480 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2csc(N(C(C)=O)c3ccccc3F)n2)CC1 673092617 DVXNDTZRJWGDSW-UHFFFAOYSA-N 431.537 2.387 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)ccc1F 727369438 FISNZUOFAOQNHP-QGZVFWFLSA-N 449.529 2.444 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCOC(C)(C)C)C1=O 730137351 FNLKZXVNYWXJBH-GOSISDBHSA-N 445.589 2.373 30 10 IEEE C#CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1CCOc2ccc(Br)cc21 733181896 TWPLZQCONXQHHF-HNNXBMFYSA-N 443.363 2.452 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCN1C1CC1 733854438 RKPPENUNEXVXSP-ZDUSSCGKSA-N 430.814 2.418 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCc3cccnc3)c2=O)cn1 735069183 RCOWPBJGRVAYHY-UHFFFAOYSA-N 449.580 2.272 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1ccc(C#N)cc1 740244937 GCSCMXWMENGJLW-PXNSSMCTSA-N 436.420 2.140 30 10 IEEE COc1ccc(S(=O)(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(NS(=O)(=O)C(F)F)c1 753954171 PYOOWQLIJTZBRS-MEDUHNTESA-N 437.490 2.410 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@@H](C#N)C1 754383121 GIPZKQKOMCCDKK-GJZGRUSLSA-N 434.443 2.289 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1 758315548 DHLUNPMFSIEPHK-MJGOQNOKSA-N 441.532 2.349 30 10 IEEE COc1ccccc1[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1nccn1C 760972780 DPAQBDGJNJUUDE-OAQYLSRUSA-N 431.500 2.317 30 10 IEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccn(C)c3)c2=O)c1 763460683 MJFSVHIOQXXPQW-UHFFFAOYSA-N 446.532 2.068 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(Br)ccc2OCCC)C1=O 763593507 DXOSOXBQLCCXAF-UHFFFAOYSA-N 439.262 2.258 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccn(C)n2)C1=O 765545728 RBNAIRFADMAKTK-SFHVURJKSA-N 446.552 2.149 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1 766838468 IALFWVMYSLBLBF-GOSISDBHSA-N 427.482 2.412 30 10 IEEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 774147874 XUTXRTSUODFQQF-PZJWPPBQSA-N 433.574 2.054 30 10 IEEE C=C(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 777467996 ROQBAEGFBDUQBK-GOSISDBHSA-N 434.562 2.279 30 10 IEEE Cn1cc(C[C@@H](O)C(=O)OCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)cn1 786869833 JTMNVGPZEABVJH-OAQYLSRUSA-N 447.495 2.047 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCSC2)C1=O 790283917 WRJUZSLMENVIND-MAUKXSAKSA-N 445.614 2.311 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)n(Cc2ccco2)c1C 800260742 MGJGHIOTORAEOF-FPAMOKSRSA-N 445.475 2.427 30 10 IEEE COCCc1noc(CN(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 807245133 CZQOXTXBKPEIKF-UHFFFAOYSA-N 439.497 2.133 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 812177463 HEGKEBMOQZRLJT-SFHVURJKSA-N 448.568 2.268 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCN(C)CC2)C1 819926710 RBSPFDKGYQLUJP-GOSISDBHSA-N 432.590 2.084 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)c1 1084012692 BPWQHLACWPCGNI-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(CC#N)cc2)(S(C)(=O)=O)CC1 1130372730 VXPUTCUYLRGFPK-UHFFFAOYSA-N 435.546 2.183 30 10 IEEE N#CCC1(O)CN(C(=O)Cc2ccc(I)c(Br)c2)C1 1138322203 AYXBLIHVABYRIR-UHFFFAOYSA-N 435.059 2.083 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NN2C(=O)C(=O)/C=C\c1ccc(F)cc1 1159963479 ONAKGSZJDXJHMM-TWGQIWQCSA-N 431.464 2.441 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(C#N)s1 1162247784 AWWCSTVORLVOMX-IBGZPJMESA-N 449.554 2.400 30 10 IEEE C[C@](O)(CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 1178259721 BWQYYTFFGGQKMK-QFIPXVFZSA-N 447.532 2.449 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(OC)c(OC)cc1Br 1192216413 XZWUOCDQYHXOJN-UHFFFAOYSA-N 448.335 2.432 30 10 IEEE CC(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1263381663 BWKXHUQNGPDLIH-SFHVURJKSA-N 428.562 2.181 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286357087 YCHADUHGVGFWFZ-HRAATJIYSA-N 429.546 2.067 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)N(C)C)c1 1286369108 CUASULVHILSPPR-UHFFFAOYSA-N 434.500 2.020 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286389496 KZMRAVNNPAISIT-GOSISDBHSA-N 445.564 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1 1286426262 PQUKDYTYUYLIQG-AVRDEDQJSA-N 425.920 2.253 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCSC)CC1 1286469280 CYEDRXMYILKNFW-UHFFFAOYSA-N 427.578 2.214 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1286772483 FFINHLIJPFKIDZ-MRXNPFEDSA-N 439.607 2.135 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CCC2)C1 1286814224 NPSODESJMPEIMT-SMQZVNPMSA-N 438.594 2.085 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300655406 WNKHFQBYPRCQAL-UWJYYQICSA-N 431.924 2.418 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1300801944 WXRDYOBVPPEUIS-HYBUGGRVSA-N 436.560 2.210 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1301111798 FWAVKAZFRAJUPU-KRWDZBQOSA-N 439.476 2.244 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1301173970 MKOGFATWHDEKCX-FUHWJXTLSA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301260200 VBDZLWVKOBFQBX-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1301565675 JEGJSTGBJNWPRS-AUSIDOKSSA-N 425.533 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(C)CC2)C1 1301566122 KKZAKLCOYNWTST-HXUWFJFHSA-N 430.597 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(F)c2[C@@H]1C 1301567076 FLUDBOTZXNDBMJ-HNNXBMFYSA-N 449.552 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2nccs2)CC1 1301579836 YUASYEGUBYVTQA-UHFFFAOYSA-N 447.590 2.120 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1301596634 UQIPEYFJUCWKFM-FUHIMQAGSA-N 426.583 2.156 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2nc(O)n(C3CC3)c2c1 1302905204 ZGOFMWSDZCMVLL-GFCCVEGCSA-N 425.470 2.254 30 10 IEEE C[C@@H]1CCC[C@H](N(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1304987720 GSOQAXCBILJOIS-GEKBNLEGSA-N 428.537 2.323 30 10 IEEE N#C[C@]12CN(CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C[C@H]1CS(=O)(=O)C2 1308129124 YMHFCURXYGSSCN-QFBILLFUSA-N 441.475 2.067 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1cccc(OC(F)(F)F)c1F 1309631265 AJLMWVMTIQSFHK-SNVBAGLBSA-N 429.310 2.285 30 10 IEEE COC(=O)c1nc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1Cl 1312469428 LCWDARNPTUVDHA-RISCZKNCSA-N 437.884 2.080 30 10 IEEE CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1313799918 HEXBWXJKMHGGGZ-GOSISDBHSA-N 438.598 2.321 30 10 IEEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1313953603 IXKHFDJUXSFCEG-QHCPKHFHSA-N 437.596 2.283 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1314615202 VFKJQNKKCQLHLE-UHFFFAOYSA-N 448.618 2.432 30 10 IEEE CCSCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1314617022 SDMWLHHRWJOSHL-IRXDYDNUSA-N 442.593 2.302 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1316353721 AJACLNCTCJURKK-IBGZPJMESA-N 442.545 2.027 30 10 IEEE N#CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSCCCO)CC1 1316535243 HCRBNSPPNPOEKC-UHFFFAOYSA-N 425.562 2.372 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1S(=O)(=O)NCC#N 1319486535 RWNUBRIKRXHZGP-UYAOXDASSA-N 430.505 2.111 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)cc1C#N 1354436118 YKXJZKAVXKJBHZ-UHFFFAOYSA-N 447.904 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1358886118 XVQRBRBDQMWXBM-BQHWHHKNSA-N 429.484 2.411 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964559 BCPBONGNSJSDRR-YRISNDGFSA-N 448.614 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N2CCOCC2)c1 1358968207 CEKNKSALXVBBJX-UHFFFAOYSA-N 448.571 2.154 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1359009165 JMSPTDJYBFJRJL-SFHVURJKSA-N 431.562 2.262 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1359082278 DPXGOJPFBBBENK-CQSZACIVSA-N 439.358 2.023 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1359083645 OFIOAJOFQRCYQT-HNNXBMFYSA-N 426.359 2.385 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359096419 BJBABYNJONUVKR-PZJWPPBQSA-N 430.597 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1359111803 NPPWKCKKAGGLDR-UHFFFAOYSA-N 435.550 2.376 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359186710 QNZDMHSZTWFOOM-KRWDZBQOSA-N 445.593 2.342 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)c(F)c1)C1CC1 1359252959 MXEKMTDONPCRDS-UHFFFAOYSA-N 440.523 2.433 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359295216 UKUQQNFUJBXJJU-DEOSSOPVSA-N 436.560 2.261 30 10 IEEE N#Cc1cccc(OCc2cccc(C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)c2)c1 1437083384 MJEAPQGOWYNDDA-QFIPXVFZSA-N 426.494 2.167 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@H]1CS(=O)(=O)C2 1439797280 QCTSYXCWBYTZHE-KBXCAEBGSA-N 438.347 2.060 30 10 IEEE O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cn(C(F)(F)CO)nn1 1444874920 XQISZYQAARJDRF-GFCCVEGCSA-N 448.270 2.018 30 10 IEEE C=CCN(C(=O)c1ccc(I)cc1OC)[C@@H]1CCS(=O)(=O)C1 1456082192 HSIWUDASGJVWCT-GFCCVEGCSA-N 435.283 2.115 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1460071031 KDGPXAVNVZDCGA-RRFJBIMHSA-N 446.470 2.443 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1 1460188684 RJKOQSLGJCNZOY-UBLKFNIESA-N 431.492 2.118 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1466017908 JCBBHAAVOTVFKS-AZUAARDMSA-N 444.532 2.388 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(SC(C)(C)C)c(F)c2)CC1 1466598373 TUZZDMJIOHWQAD-UHFFFAOYSA-N 446.545 2.473 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)Nc2ccccc2C1 1469459223 PEJHIQXCWQUICV-SFHVURJKSA-N 440.525 2.121 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)C1 1505030492 STTKVUPTOAMHCO-GOSISDBHSA-N 439.545 2.461 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1 1505083244 WWDGVRPVKWPLOM-BWPNAZKDSA-N 427.505 2.198 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1505260555 SOLIHIFHQJHSDS-UHFFFAOYSA-N 434.591 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1507654939 VDHCGYWJKQVRCX-UHFFFAOYSA-N 440.511 2.168 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N1CCOCC1 1507671125 ZRJWLISZWCCTDA-GOSISDBHSA-N 427.499 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1507740475 AKYIANOBARWQGS-AQNXPRMDSA-N 429.565 2.157 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1507762052 TZPLVWMDSNFWIC-AGILITTLSA-N 445.608 2.423 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1507763322 AHXXVNYILQFUQN-HRAATJIYSA-N 431.562 2.075 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H]2CC)C1 1508117376 UCFQBBMYEGAXGG-XWTMOSNGSA-N 425.599 2.496 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1508358912 HJHKVMGUIFHBNH-OAQYLSRUSA-N 433.560 2.431 30 10 IEEE COc1cnc(NS(=O)(=O)c2ccc(NC(=O)C3(C#N)CCSCC3)cc2)nc1 1537674480 GTNXJYBZRZOWLC-UHFFFAOYSA-N 433.515 2.261 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3nnn(-c4ccccc4)c3C(F)F)CC2)c1C#N 1538697735 AWOPGSMTKDEGGQ-UHFFFAOYSA-N 426.431 2.081 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1539013724 JRKYXUPCXLTCJF-WMZOPIPTSA-N 443.552 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCC(F)(F)F 1539330686 AFVLGTGLCKEWBG-UHFFFAOYSA-N 442.445 2.423 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCOCC1 1539346797 KCPQJNCYZUZSTR-INIZCTEOSA-N 449.397 2.474 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCN(C)C1 1539396986 WELULPKKZRCKMZ-HTAPYJJXSA-N 447.967 2.224 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](OC)C2CC2)CC1 1539427333 BAXZZJZMGVAGHL-NRFANRHFSA-N 436.560 2.327 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1539646248 SNDPZUGBKJEDAH-LQWHRVPQSA-N 425.533 2.458 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)CC1 1539848204 NEKKXXKOPTXVJT-QGZVFWFLSA-N 429.546 2.365 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539911317 ZZGDGKMFHXYQRJ-QGZVFWFLSA-N 425.537 2.359 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1539916458 KXXXHLQPINPBLX-QGZVFWFLSA-N 437.610 2.230 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(COC)CCOCC2)C1 1540895678 XHOXACIFLHTOAW-FQEVSTJZSA-N 444.580 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1540908895 QORZYLOAPZGTEA-WBVHZDCISA-N 440.591 2.443 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3c(O)ncnc3c2)c1 1541080189 CZFXCYYNZVBSGE-MOHJPFBDSA-N 425.470 2.401 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOCCc3ccccc3)CC2)c1C#N 1543002377 YUCUQKZXPYQGEW-UHFFFAOYSA-N 448.575 2.476 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)cc1 1543110474 SNOIXKCQPVRKDX-UHFFFAOYSA-N 442.466 2.233 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](F)COC)C2)CC1 1547723275 GBQWTLRGDZXBEM-RTWAWAEBSA-N 441.555 2.017 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC(F)F)c1 1555793606 UYQVZJSNHXVPSN-SFHVURJKSA-N 443.451 2.420 30 10 IEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1558464835 OYYLSFBOIYEXFA-AEFFLSMTSA-N 442.541 2.475 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)nn1 1558606176 OINDMVUFGWAFLX-UHFFFAOYSA-N 433.509 2.061 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1564342721 ATIMSNDKMGIEBE-SFHVURJKSA-N 437.475 2.343 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1564448288 VPLINOPWUGMEBE-LXIYXOSZSA-N 443.356 2.152 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1565449759 YTZHPMMVRGPVDS-GSVIPDFHSA-N 445.541 2.155 30 10 IEEE COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1cccc(F)c1 1585228372 KQXZIOKVNVDTBN-AWEZNQCLSA-N 436.436 2.024 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1587661958 KBIPVJKYTIDRBA-NZQKXSOJSA-N 447.587 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCOC1=O 1588193819 MGIMOOVRBJKUTE-UHFFFAOYSA-N 437.500 2.268 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1588400063 VAZYBIFJXVCDGZ-RBUKOAKNSA-N 446.596 2.388 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@H](C)C1 1588420920 UORUVCSFGUGFAN-HXUWFJFHSA-N 435.576 2.477 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCOc1ccc2c(c1)OCO2 1588637895 LETJDYFVTAJMBT-LJQANCHMSA-N 428.489 2.413 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2ccccc2C)CC1 1588733086 MNHHFQVETJTQMA-UHFFFAOYSA-N 438.576 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1589556880 FESKBTNBICGEPN-XLIONFOSSA-N 426.521 2.134 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593844647 DIQMCFPMULHWOZ-LJQANCHMSA-N 444.967 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(CC(=O)NC)CC1 1595777565 QFYVFXCWVCMDEP-UHFFFAOYSA-N 445.589 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1595831907 ZKMZTIBXSKWQCB-RBUKOAKNSA-N 448.593 2.385 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1606957937 JZJCTVZAKDBZBP-FGSXEWAUSA-N 430.553 2.333 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1611764997 CEMNSYMBZOYAPE-NRFANRHFSA-N 425.541 2.039 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1613412319 AHXNSXSBTZQHRT-YLJYHZDGSA-N 444.605 2.419 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCc2cccnc21 1613594346 HMTGSZRXGHDWPE-PKOBYXMFSA-N 437.548 2.440 30 10 IEEE N#Cc1ccc(NC(=S)N[C@@H]2CO[C@@H]3[C@H](OC(=O)NC4CCCCC4)CO[C@@H]32)cc1 1616134993 QVDNNFUICVVFSZ-NCXUSEDFSA-N 430.530 2.438 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1COCCO1 1616913714 HRJSBGRHMPZXKF-KRWDZBQOSA-N 446.939 2.082 30 10 IEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1618140923 BZLVREFZGJKJBC-UHFFFAOYSA-N 441.532 2.133 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1cc[nH]n1 1623818886 PIMYRKLONUFMNH-UHFFFAOYSA-N 449.467 2.262 30 10 IEEE C=C[C@@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1628287601 ZMZOTHGYCYPOEV-QGZVFWFLSA-N 437.562 2.045 30 10 IEEE CCc1nc(CN2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1632771980 MOVVXVNYNRJYNH-MRXNPFEDSA-N 434.541 2.253 30 10 IEEE N#C[C@H](CO)NC(=O)c1sccc1NC(=O)c1ccccc1I 1636605565 WQFJKWHTGMMUGD-SECBINFHSA-N 441.250 2.219 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC 1636710064 MTKHVJGLVJJNMU-WMLDXEAASA-N 427.339 2.196 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H]3c4c[nH]nc4CN3C(=O)OC(C)(C)C)CC2)c1C#N 1636901190 SFINROZOZDNYEI-INIZCTEOSA-N 443.533 2.187 30 10 IEEE CC1(C)OB(C2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)OC1(C)C 1637061861 FHYXMWCEMFBAFZ-UHFFFAOYSA-N 439.321 2.343 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)C1 1638266183 IUJUSWHRTAMKGN-SJLPKXTDSA-N 435.391 2.453 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CCN3Cc3ccccc3)C2)ccc1F 1638694569 WWWOFQJWAUTUBW-UHFFFAOYSA-N 429.517 2.391 30 10 IEEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C(C)C 1638980976 PHJZWYFHMBRRFQ-UHFFFAOYSA-N 447.601 2.293 30 10 IEEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1639659831 RJXIRIGZIQIGLO-QGZVFWFLSA-N 435.468 2.105 30 10 IEEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl 1641745924 OAHSALNZPPIKAN-CQSZACIVSA-N 436.917 2.288 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3CNS(C)(=O)=O)n[nH]2)c1C 1644060961 AMUPKKOYPWRILW-UHFFFAOYSA-N 428.518 2.378 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1644244630 DYYZSWHMKRMFIC-WKULXVSPSA-N 435.521 2.009 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 1645178698 RINAMBAZLHYPEJ-INIZCTEOSA-N 439.335 2.072 30 10 IEEE CSc1ncc(I)c(N2CCN(c3ncccc3C#N)CC2)n1 1651335030 HAEYMPALHWBKFG-UHFFFAOYSA-N 438.298 2.396 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)nnc1-c1ccco1 1651430812 SKTBQHFEIJKDRK-GJZGRUSLSA-N 436.559 2.099 30 10 IEEE C[C@@H](CC(N)=O)c1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1652889442 ZGJSSNHYERKJSL-UONOGXRCSA-N 428.514 2.121 30 10 IEEE CC(C)(C#N)CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1671544730 BUJYYNVYPWMESF-ZDUSSCGKSA-N 426.258 2.023 30 10 IEEE CCOC(=O)c1ncn(C2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)c1N 1676908001 GXONCZNNWVLLQV-UHFFFAOYSA-N 426.477 2.091 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)C2)nc1 1684223103 QGNMEHIMAUAZSB-HKUYNNGSSA-N 425.514 2.209 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689979813 HVBOXQYJBIEHQS-ZWKOTPCHSA-N 440.573 2.468 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689994484 ZDLUDTDFIUZNMM-LJQANCHMSA-N 439.516 2.078 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC=CO1 1690088362 JHUVNPOHLJQUIR-APWZRJJASA-N 447.536 2.360 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCSC1 1690106414 VIEHFAMFELJOTQ-QFIPXVFZSA-N 430.574 2.428 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1690232264 FQYUNHYABCXSTB-CYBMUJFWSA-N 447.337 2.456 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCn1cccn1 1690236009 HHNYOYYABKSZPG-HKUYNNGSSA-N 436.520 2.240 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690352527 GTPKDCBFJVIMSU-WBVHZDCISA-N 428.880 2.416 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O)C1CC1 1690541159 PYJPLEKHPCYSCF-UHFFFAOYSA-N 447.561 2.153 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@H](COC)C2)cc1 1690678432 WBYOKNZIQGLARR-PXNSSMCTSA-N 443.548 2.270 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(OC)C2)cc1 1690680286 NRKNRWYOGPORTP-QGZVFWFLSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)CN(C)C2=O)C1 1690687729 IGVITGOEUOKYBG-AUUYWEPGSA-N 449.353 2.295 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCS1 1691981648 QKLLNWWASSJVQG-SFHVURJKSA-N 448.618 2.334 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1696958331 CQUHRNZWPCZGST-UHFFFAOYSA-N 435.488 2.036 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1697049276 VPCFUDXIAJWXAY-LJQANCHMSA-N 425.489 2.012 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(C)c1 1705490191 DPSBMEJCUWYPJU-MRXNPFEDSA-N 434.500 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1705697265 KSLIRPNPSRPNOF-KSZLIROESA-N 449.552 2.062 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705706186 QPTINMNKFJMWGM-LMNJBCLMSA-N 445.589 2.259 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(F)cc(F)c2C1 1705897642 QTPNRZJYXZANBE-CQSZACIVSA-N 435.475 2.145 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)NC(C)(C)C 1705898684 UIARDZOFSBMBFS-UHFFFAOYSA-N 448.955 2.260 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C2CC2)C1 1705929020 JRXBCTQFOIMVCD-HRAATJIYSA-N 431.562 2.212 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705945828 SRQSXVOYVUHNBZ-KBPBESRZSA-N 433.500 2.206 30 10 IEEE Cc1ccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1707317226 XRFJLHYRMNJKIP-IBGZPJMESA-N 436.541 2.398 30 10 IEEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCSC)c2ccccc2c1=O 1710304120 NARCQZLVKLQAJL-HNNXBMFYSA-N 439.545 2.157 30 10 IEEE CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710627435 HJUSHKSQPUKQJW-IBGZPJMESA-N 439.564 2.438 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1722371823 LWMXMEKVCXWULF-FQEVSTJZSA-N 428.558 2.052 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ncc(CC)s2)CC1 1722444535 AORVPFCQNOZAAU-UHFFFAOYSA-N 437.573 2.317 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2ccsc2)CC1 1722448497 YKMGZLUQSWQRAZ-QFIPXVFZSA-N 429.590 2.412 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722534292 MFGUXQVSNXDMHW-HSZRJFAPSA-N 426.565 2.158 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722609287 UZZDWLILVMAIFP-FOIQADDNSA-N 437.541 2.092 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1cccc(O)c1 1722639102 YQSBJAATUKLZPS-UHFFFAOYSA-N 438.488 2.154 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722694863 KYIHZTDFJAIGCA-UHFFFAOYSA-N 436.560 2.476 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722701214 JLIIMEYNNAKINJ-MRUHUIDDSA-N 431.562 2.005 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)C1 1722721394 JPFTZUVLXYSPGJ-FDDCHVKYSA-N 425.533 2.137 30 10 IEEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1 1722743076 PHMNTQXYZMLLKZ-IBGZPJMESA-N 440.573 2.152 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cc2F)CCOC1 1723690200 IWIVKRXUMQBNAG-DYESRHJHSA-N 433.459 2.374 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](OC)C(C)(C)C 1729070841 PWWRAEXKTHVZJH-SFHVURJKSA-N 427.553 2.469 30 10 IEEE CCSc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)ccn1 1729251192 HRHGERYAJVNKPK-KGLIPLIRSA-N 437.595 2.039 30 10 IEEE COCCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1730910927 JXAIVBPKKVGPNC-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740567543 SWNGKMKZGFCFMO-UHFFFAOYSA-N 442.483 2.264 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740581566 ATZJLXSNUBGDDT-NVXWUHKLSA-N 439.516 2.099 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740691782 DCHNKGIYQSZAAJ-KOSHJBKYSA-N 439.560 2.269 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](Cc2ccccc2)OC)CC1 1740697961 KGSHVKBVXZERGC-QHCPKHFHSA-N 430.556 2.277 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2C)CC1 1740700912 NBXRRUDRHBOHAC-UHFFFAOYSA-N 436.560 2.047 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1740880932 RMDMLEBYFPLAHG-UHFFFAOYSA-N 427.505 2.472 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1740899096 GAEJIGHTOPZQRT-LJQANCHMSA-N 445.589 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740989689 VMKSCPAKYCVLTN-ZFWWWQNUSA-N 447.483 2.040 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740992497 HLECRFGRCWOCHC-RTBURBONSA-N 431.562 2.013 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1741199817 RNIRZMQSHHZFMP-SJLPKXTDSA-N 428.512 2.079 30 10 IEEE CC(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1741691651 LCAOCJUGKXLPRZ-HXUWFJFHSA-N 437.548 2.243 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1747538037 CKUXELQACLUUJL-IBGZPJMESA-N 440.548 2.458 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncccn2)CC1 1748740199 NKMZRHRKOGWVOX-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748882823 HQTFZJVBHZTGEZ-HSZRJFAPSA-N 443.555 2.043 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748912798 IPLJICZEARSHJU-QFIPXVFZSA-N 433.553 2.257 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCCO 1749072253 JUMUGRFEPBKYRR-SIKLNZKXSA-N 428.606 2.473 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1749457678 OGIARKHMZSADGL-FXAWDEMLSA-N 430.505 2.235 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1749488766 MAIDTJGIUHNPSA-IBGZPJMESA-N 445.545 2.222 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccc(OC)c2)C1 1749707334 VLDABDNPJNEBII-LJQANCHMSA-N 436.516 2.493 30 10 IEEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1750592506 FFXVIQNMMHISDM-CNNODRBYSA-N 448.637 2.431 30 10 IEEE CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1750798033 LEACZHOYYQJERA-DLBZAZTESA-N 434.541 2.361 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751084086 GGMFZSYMJVTCPJ-LHUAGQQPSA-N 440.504 2.489 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCOC2)c1 1760124880 CQKZVCSLEYBDJS-GOSISDBHSA-N 431.500 2.218 30 10 IEEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760130585 KAIVTEMUGFCUJU-QGZVFWFLSA-N 447.609 2.148 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1760189620 QHCFZDSSODHDJH-SFHVURJKSA-N 426.546 2.252 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1760237747 UBDQYRCSTWCMFM-INIZCTEOSA-N 429.546 2.272 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@H]1C 1760325103 OXTGQHYYIAJHAE-GJYPPUQNSA-N 431.562 2.476 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1760337423 QJRZSJUFPJXZAV-MRXNPFEDSA-N 448.545 2.390 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](COC)C1)c1ccccc1 1760362101 ASMLUWATRBAZHR-ROUUACIJSA-N 433.578 2.465 30 10 IEEE C=C(Cl)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760388393 SGNRVRPXNODLQM-YLJYHZDGSA-N 425.961 2.376 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760523604 CPPAGYPSDRYFDX-BGYRXZFFSA-N 443.640 2.233 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)OC)C1 1760539665 SHOMMWWKWYGTRL-AEFFLSMTSA-N 449.577 2.012 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@](=O)CC)C1 1760544853 IIBHPPYHZBIIRI-PBNKOMEISA-N 442.545 2.144 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1760547123 DVVXVBWDDXSIQT-HCLVMJGWSA-N 444.532 2.187 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761013288 URDXZMOTHHBTCQ-UGNPLGLKSA-N 442.564 2.256 30 10 IEEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1761079460 GBEVBFXHZRDZAH-UHFFFAOYSA-N 449.559 2.134 30 10 IEEE CCc1nnc(N2CC[C@H](c3ccc(OC)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762964427 QZQZKCFOJITUGW-NFFVOIMASA-N 436.516 2.369 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)COCCO1 1763740624 FJHMVRPWJPJEHH-HTAPYJJXSA-N 425.537 2.190 30 10 IEEE CO[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)(C)C 1768096600 JWFPLXRBYQQWAV-LJQANCHMSA-N 449.563 2.333 30 10 IEEE C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)C1(F)F 1770668998 NWXVBUGYPPTYFF-MJBXVCDLSA-N 439.488 2.421 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1772863663 QGEWWLDIXJQAKZ-LJQANCHMSA-N 437.548 2.038 30 10 IEEE Cn1c(=O)n(CC(=O)N(c2ncccc2C#N)C2CCC2)c(=O)c2oc3ccccc3c21 1851379544 GRKIGEPAOVZQTG-UHFFFAOYSA-N 429.436 2.299 30 10 IEEE COC(=O)[C@@]1(NC(=O)Cc2cc3c(cc2C#N)OCO3)CCCN(Cc2ccccc2)C1 1852890813 QPLFFQJWAXOZSC-XMMPIXPASA-N 435.480 2.153 30 10 IEEE Cn1nncc1CN(C(=O)CC#N)[C@@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1 1853550066 RIYQNLFICPGVLI-GOSISDBHSA-N 441.499 2.046 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1853746951 PCHJWQSOZASKDY-HXUWFJFHSA-N 431.558 2.164 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2ccc(Cl)cc2)C1=O 1854059791 RNWYZSQLCBIUGK-MOPGFXCFSA-N 433.936 2.345 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862707095 NQHRZDGEVCNCNY-LJQANCHMSA-N 441.440 2.449 30 10 IEEE COc1cccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)cc2OC)c1 1870095769 VAQIEEZXNSMBFC-UHFFFAOYSA-N 429.458 2.025 30 10 IEEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC)cc1OC 1872597669 ZBBJHSRROWVXRV-IBGZPJMESA-N 443.525 2.377 30 10 IEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCc4ccccc4C3)ncnc21 1873594683 ZKMAKPCIETZEPD-UHFFFAOYSA-N 446.555 2.242 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc[nH]1 1874431937 GBKCAZOZLLNGTH-FOKLQQMPSA-N 425.518 2.418 30 10 IEEE CCSc1nnc(COC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874500904 GHGAMRNLWNORBE-KGENOOAVSA-N 435.550 2.138 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874500992 KEHFVFWMJGBAML-AWQFTUOYSA-N 430.446 2.216 30 10 IEEE C#C[C@@H](C)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883387526 VACYDAQYBJXTEJ-JLTOFOAXSA-N 427.478 2.415 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 1890345453 KKZQNPGXKQMFQA-UHFFFAOYSA-N 429.521 2.249 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 1892023263 NRTCNNOLOMRHLT-NSHDSACASA-N 441.282 2.482 30 10 IEEE C=CCN(CCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C(=O)OC(C)(C)C 1896122088 KACRIQGFOWHNHO-HZPDHXFCSA-N 427.542 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ncc(I)cn2)[C@@H](C#N)C1 1905269130 ZLTCRWUDJZPBSW-LBPRGKRZSA-N 429.262 2.026 30 10 IEEE C#CCN(CCO)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2123517759 HRTNJMRODJPAJC-MRXNPFEDSA-N 425.323 2.339 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC)c1I 2242916980 QIUXKCLOZVWBMG-SNVBAGLBSA-N 432.262 2.363 30 10 IEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255533005 QOQIGIBAWFTTFT-VIKVFOODSA-N 449.382 2.380 30 10 IEEE Cc1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2255674224 LHMBEFFBNNJZCA-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255710427 KKDNQEJATLWYJX-GOSISDBHSA-N 426.322 2.210 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2255840849 SNWAZGPCLJJGML-QGZVFWFLSA-N 438.362 2.292 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C2(CCOCC2)C1 2255856912 BTFWAVDLVPMEHW-INIZCTEOSA-N 434.342 2.154 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCCOC1 2258963775 XIZYBOOENFSNPB-JOCHJYFZSA-N 436.358 2.449 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267138654 YVVKNPICXRESAL-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CCc1nn(C)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267139120 BMPSVHBFWSFYOH-OKILXGFUSA-N 448.373 2.067 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2267155067 OHNXVMBYMKMFFR-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267166154 OCFUSYBOACZXBR-KOMQPUFPSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267275088 JVPUEDWDPWHUDV-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)o2)OC1(C)C 2267280074 LZGZFOFLZJKFNB-UHFFFAOYSA-N 439.365 2.126 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503634 GRDJXXAOYPJWFE-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267511148 XQIBHROOFZOBCE-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1(CNC(=O)OC(C)(C)C)CCC1 2267550828 FEPPIRKKRXVANY-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268637470 MXMVTEFTBPAEMA-RLFYNMQTSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268664051 QUUKIWDVGQCCOT-UHFFFAOYSA-N 446.353 2.416 30 10 IEEE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)COC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268705063 AEOYLBNFZHAGHV-OAHLLOKOSA-N 446.353 2.457 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2268716437 NNVHKDHUIZZKIJ-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 2296615702 FIRKZUAQQCXIJW-LJQANCHMSA-N 430.432 2.181 30 10 IEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 2296619719 SSHFZSQJHRTPIO-OAQYLSRUSA-N 438.528 2.181 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2298375820 BLFQVGWQQMPXGA-CORIIIEPSA-N 435.355 2.180 30 10 IEEE CCc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 2322659665 MIZOLBDMOWEUCZ-AWEZNQCLSA-N 439.335 2.374 30 10 IEEE COc1cc(C=Nn2c(SCCO)nnc2C(C)C)ccc1OCCN1CCOCC1 2331711510 STUULXGSSHEWLQ-UHFFFAOYSA-N 449.577 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2336392591 QXAGLDPCTSYTTF-AWEZNQCLSA-N 446.357 2.086 30 10 IEEE COCC[n+]1cc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ccc2C#N)on1 83246555 ANPNKWGPXMIIEE-UHFFFAOYSA-O 426.478 2.282 30 10 IEEE O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2)c1ccccc1 103526144 RXCMKUGVRHFVTE-LFKKDODXSA-N 430.507 2.326 30 10 IEEE COc1ccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1OC 170178797 SUXKYFBQHPPZFB-UHFFFAOYSA-N 448.527 2.049 30 10 IEEE C[C@H](/C(N)=N/O)N(C)C(=O)c1cc(I)ccc1Br 235162808 FFDCVNLXZXUXFH-ZCFIWIBFSA-N 426.052 2.261 30 10 IEEE N/C(=N/O)[C@@H](NC(=O)c1cc(I)ccc1Br)C1CC1 236324483 MRNCBWHSVZVFMH-JTQLQIEISA-N 438.063 2.309 30 10 IEEE CC(=O)N[C@@H](CS)C(=O)Nc1ccc(I)c(Br)c1 306003443 JAOQTSXCLPAVDU-JTQLQIEISA-N 443.104 2.427 30 10 IEEE CCO[C@H]1C[C@](NS(=O)(=O)c2cc(Br)cc(C#N)c2)(C(=O)OC)C1(C)C 444276322 HCDVSANNCPSLRZ-YOEHRIQHSA-N 445.335 2.346 30 10 IEEE Cc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CC2)n1 460902723 NIIDVGOHXSHOOS-SFHVURJKSA-N 436.545 2.482 30 10 IEEE COC(=O)C[C@@](C)(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1 476122103 INFKFCJZMLELHH-OAQYLSRUSA-N 432.473 2.207 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 477998400 XUAACDRQDCXELS-INIZCTEOSA-N 439.541 2.425 30 10 IEEE CNC(=O)C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 483422728 RJTJGDJMEUCTTO-FGZHOGPDSA-N 437.519 2.002 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccc(Cl)cc32)CC1 486013252 CXQDKHVCNNXDFS-KRWDZBQOSA-N 431.901 2.221 30 10 IEEE Cn1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(-c2ccc(C#N)cc2)n1 491238209 GNNXBMXISUQUMS-UHFFFAOYSA-N 446.536 2.337 30 10 IEEE CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492938951 WZGALCSJNNFJGA-QUCCMNQESA-N 434.562 2.025 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 503084367 FFWNCEVEKQAMIW-QHCPKHFHSA-N 434.581 2.089 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 508937091 VQTFXLAOFFRNAR-BBRMVZONSA-N 425.942 2.306 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(CC(C)C)c1=O 512721390 UVGXVPYSDPFWIK-UHFFFAOYSA-N 436.537 2.177 30 10 IEEE CN(C)c1nccc(N2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)n1 513275764 JTNHLSKFWGLETG-UHFFFAOYSA-N 437.523 2.119 30 10 IEEE CCc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnc2c1c(=O)n(C)c(=O)n2C 513938543 UDBXQDSQVUBBTG-UHFFFAOYSA-N 431.374 2.337 30 10 IEEE C[C@@]1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCCN1Cc1ccccc1 517634089 GUEQDUODLXLZAV-QFIPXVFZSA-N 426.542 2.007 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCN(c2ccccc2)C1=O 540467596 CPZNDMMYSJUULX-DHIUTWEWSA-N 449.530 2.272 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC2)CC1 550047836 UDORVKBSJVQTJN-LJQANCHMSA-N 429.528 2.499 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 556979788 JQOFIYOMEWTMNR-IBGZPJMESA-N 447.547 2.336 30 10 IEEE C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 559041986 ZMJCUBGZIPPFEI-LJQANCHMSA-N 437.496 2.376 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 576363928 IJGVRLLFMMOELX-KRWDZBQOSA-N 439.969 2.477 30 10 IEEE CCCCS(=O)(=O)OC1CCC(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 586507700 OHWDAQAKBNIYMC-FHERZECASA-N 436.530 2.245 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c(F)c1 586864017 HVDNRRPGQHILMV-INIZCTEOSA-N 445.292 2.471 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 642721185 GHEYJNDRMWKGRY-RTBURBONSA-N 447.561 2.234 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CC(C)C 726581297 SPVXEVDFCKNBLU-INIZCTEOSA-N 435.553 2.265 30 10 IEEE CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)[C@H]1CCN(c2ccccc2F)C1=O 732812349 AJVDUNAKZXWEDS-BEFAXECRSA-N 433.443 2.388 30 10 IEEE N#C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccc(Br)cc1 733254627 ZLUNQQVKZPAULW-DLBZAZTESA-N 444.264 2.389 30 10 IEEE COc1cc(F)ccc1N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 734476432 QLVGEEBDIMHRJM-HSZRJFAPSA-N 437.475 2.253 30 10 IEEE CC(=NOCC(=O)NC[C@@H]1CN(CC(C)C)CCO1)c1ccc(NC(=O)C2CC2)cc1 749787708 WFQSZJSQCACCCC-OAQYLSRUSA-N 430.549 2.249 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cccc(S(N)(=O)=O)c2C)c1C 754321631 CUWNUMDXGBIHME-UHFFFAOYSA-N 429.498 2.363 30 10 IEEE CCc1c(C(=O)OCc2ccc(C#N)cc2OC(F)F)cnc2c1c(=O)n(C)c(=O)n2C 754351123 OZCIYUPTYGDDHA-UHFFFAOYSA-N 444.394 2.025 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC23CCCC3)cn1 757913996 BGIYUWNHRPTMFP-DLBZAZTESA-N 432.594 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn23)C1 758642668 FLKJUKKQVLSLEN-NEPJUHHUSA-N 425.898 2.025 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)C1 760296835 QFMHYARBFBTBIK-YOEHRIQHSA-N 447.536 2.230 30 10 IEEE COCC[S@](=O)Cc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760929684 JPDWRZDUEMATDM-PMERELPUSA-N 427.530 2.202 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 762618338 SFEOIKCBKJQYOY-QAPCUYQASA-N 435.546 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)C[C@H](C1)C2=O 778612376 XLLXOBPSGYAJFL-UYTSQGDYSA-N 426.473 2.191 30 10 IEEE COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783806863 QYDWEXATCPNJAU-LBPRGKRZSA-N 435.303 2.011 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2ccc3c(c2)OCCO3)n1 789969082 UDPMYFCOEHPJIV-HNNXBMFYSA-N 426.502 2.078 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)n1 799242070 XMGIAABJBKWQEV-NRFANRHFSA-N 439.516 2.115 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 804453284 CZYQHUBSYRTUFP-JOCHJYFZSA-N 439.581 2.198 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2CC(F)F)cc1 806219119 DNIMBDYOBPCQIS-CHOFAJOMSA-N 430.477 2.387 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC2=CCCOC2)C1=O 807931156 ZPJLNVJZRFRKKC-GOSISDBHSA-N 434.537 2.172 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1C(F)(F)F 813056994 NFDSCVMUFPEAER-LBPRGKRZSA-N 429.342 2.409 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@H]2CCNC(=O)CC2)cc1 815421255 JSABKJQYBVSYJV-MRXNPFEDSA-N 438.484 2.372 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 916179692 PCTNXLQGCMXSTB-GOSISDBHSA-N 426.498 2.448 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n1C[C@@H]1CCCO1 916197523 WDNBURJTXDOPIL-SFHVURJKSA-N 448.460 2.284 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 920468046 YFOIWOCJMXJHPL-INIZCTEOSA-N 434.452 2.305 30 10 IEEE COC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)C1=O 1127667791 GYDQYLMTUNFAEL-SFTDATJTSA-N 435.480 2.358 30 10 IEEE COC(=O)[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@@H]1CCC[C@@H](OC)C1 1130630684 CNLDAPGHVOTEKB-WRWLIDTKSA-N 427.505 2.013 30 10 IEEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCO1 1134267837 KFHCMPLWTPQLFT-JOCHJYFZSA-N 431.558 2.107 30 10 IEEE C=CCOc1ccc(C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1OC 1141476167 LJMXEKKTTNNKSW-UHFFFAOYSA-N 433.530 2.116 30 10 IEEE Cn1cc([C@@H]2CN(C(=O)COc3ccc(C#N)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1162724016 ALISASGQICRDCI-RBUKOAKNSA-N 425.489 2.190 30 10 IEEE C#C[C@@H](NC(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1)C1CCOCC1 1226339525 FDIVMXRHWGFICD-HSZRJFAPSA-N 429.561 2.404 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccc(Br)cc1 1230498381 CKGNDNICNQGYPV-OAHLLOKOSA-N 440.294 2.409 30 10 IEEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1230562244 IQFNDERMZXCESL-UHFFFAOYSA-N 427.523 2.008 30 10 IEEE N#Cc1c(CCCNC(=O)NCc2cnn(CCF)c2)nn(-c2ccc(F)cc2)c1N 1251332617 BYSZKXJJUPXNFF-UHFFFAOYSA-N 428.447 2.063 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286359291 YXGLTPWFQPUQNQ-NJDAHSKKSA-N 442.608 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@H](C)C1 1286402473 XURNQIGGFNBVGD-QZTJIDSGSA-N 426.542 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCS1(=O)=O 1286415929 NMLKHGGIKPBYDS-FQEVSTJZSA-N 435.553 2.321 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccccc2)C1 1286793724 KOENXKNEVLAWQA-ZJOUEHCJSA-N 425.533 2.298 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286964642 JZZVYDUKGYLLCN-SOLBZPMBSA-N 431.566 2.073 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1288526624 WYYBGMNBJMQLRV-YJBOKZPZSA-N 429.546 2.040 30 10 IEEE Cc1ccccc1-n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C(F)(F)F 1289201649 QKHRMUJUZCOGEB-UGSOOPFHSA-N 438.431 2.210 30 10 IEEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CCO2)c1 1290280917 VBXZWTFRXHRBMV-OAQYLSRUSA-N 435.532 2.390 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1291193502 DDQKOPXAVCPYHW-POZUXBRTSA-N 426.521 2.377 30 10 IEEE CC[C@]1(C)CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1292366491 XUVFQOFPEAXJNZ-QGLUGKIASA-N 444.536 2.051 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 1292697136 UZHMSNMJIMAVSZ-HXUWFJFHSA-N 443.544 2.351 30 10 IEEE CCN(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1295398745 FLFWIWQNRPTASE-RCCFBDPRSA-N 443.577 2.103 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)C1 1296328614 CQFMYQNDDGEOPG-SFHVURJKSA-N 446.577 2.150 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(COC)CCC1 1297287856 LZEMPGBMBFKNQM-UHFFFAOYSA-N 425.537 2.225 30 10 IEEE CN(CC(F)(F)F)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298250441 WAXHLUAOXCUATP-ZPTIMJQQSA-N 428.415 2.045 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1299332664 ABCUOBHHGHWYTG-BJLXPSRBSA-N 427.530 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1300292415 YNHIDWHETXCRBY-HKUYNNGSSA-N 425.533 2.489 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300361567 HMGYCXBSLHXRLJ-OAQYLSRUSA-N 442.608 2.110 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1300487203 HZICMVLDBQITJG-KRWDZBQOSA-N 432.521 2.304 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1300511814 LTWQMKUUBCEGOJ-QGZVFWFLSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1300536256 TYGNIPQESJMGGS-OAQYLSRUSA-N 429.528 2.491 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCCC2)CC1 1300709905 KRESANMQORKDKC-UHFFFAOYSA-N 438.576 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCCCO)CC1 1300725483 AIQNPNBQSWIENR-UHFFFAOYSA-N 427.524 2.136 30 10 IEEE C=CCn1c(N2CCC(Nc3cc(OCC)ncn3)CC2)nnc1[C@@]1(OCC)CCOC1 1301474053 RZIFQIRSQNTRIP-JOCHJYFZSA-N 443.552 2.386 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1301558462 VWPURFPHOFAEAI-UAFMIMERSA-N 433.597 2.451 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)c1 1301866205 AOQMZQTWCBNHMM-XMSQKQJNSA-N 425.554 2.239 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC1CC1 1303627869 PIUGBFAQCWYCPS-LBPRGKRZSA-N 434.342 2.311 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 1304675779 LTTPEMCTIDRKRD-CJNGLKHVSA-N 447.565 2.276 30 10 IEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC 1305819234 SJOQPIGXTXOZPL-RXVVDRJESA-N 429.546 2.257 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C(C)C)cc1OC 1314178701 FSWZRRVOXLRNTF-SFHVURJKSA-N 428.537 2.421 30 10 IEEE COCCCN(C)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1316029264 RPNFARNNABABEP-IBGZPJMESA-N 435.532 2.190 30 10 IEEE COCCOCCn1c(C2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316265231 BJTOUPLEXKKZQY-UHFFFAOYSA-N 425.537 2.192 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1358885666 OEFAVMCTDVASMW-HDJSMCDHSA-N 438.576 2.376 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)(F)F 1358946071 HCIUAWQVZTWLRT-UHFFFAOYSA-N 430.456 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCNC(=O)c1cccc(C)c1 1358996278 ZAUJLUXOTQADPT-UHFFFAOYSA-N 426.524 2.465 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cc(C)ccc2OC)CC1 1359038107 KQRAKGXCTJHTQA-UHFFFAOYSA-N 447.587 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)OC)CC1 1359046578 XNXQAUSLTODUNS-QGZVFWFLSA-N 434.544 2.351 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359061235 WBMTZTHPISULHW-YLJYHZDGSA-N 441.557 2.335 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1=O 1359237558 DHEPRMRYURTRHB-UHFFFAOYSA-N 445.593 2.263 30 10 IEEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1359267994 ZGHFJOQSXLYTGL-WIYYLYMNSA-N 438.594 2.464 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1359297951 HTQFRBGAYKETSP-UHFFFAOYSA-N 448.527 2.265 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1359298099 MWFVDKHWOPEEDJ-GOSISDBHSA-N 447.543 2.222 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1359303117 DWQDRQZVIQRHIQ-UHFFFAOYSA-N 438.557 2.265 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359330485 SYNRYPWZSJARIS-HXUWFJFHSA-N 449.964 2.058 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)c1OC 1435826654 POCBKYBPVWDZJY-MRXNPFEDSA-N 427.457 2.202 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)s1 1447805936 SPFNBDPUPWADBR-LRDDRELGSA-N 440.509 2.355 30 10 IEEE C=CCn1cc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)nn1 1451877675 FYCFZDIZKRUCEF-UHFFFAOYSA-N 433.440 2.473 30 10 IEEE Cc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)cc1S(=O)(=O)NCC#N 1452992450 PNFRQMMWYYHRIO-LJQANCHMSA-N 429.498 2.384 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(c2ccccc2)c2ccccc2)cc1 1458035753 PFLPPYUKFNCOPA-UHFFFAOYSA-N 448.548 2.332 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@]1(O)CCc2ccccc21 1460281476 FUCPDZWNUOPCEA-ZCYQVOJMSA-N 436.531 2.300 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1462766799 WUSJOEIOWUQUGL-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1466947955 YXSQRDRNGOUOCC-MRXNPFEDSA-N 437.541 2.110 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1468143956 DEFBDOYSMMHUJH-NXHRZFHOSA-N 444.557 2.004 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1)C(=O)OC 1468875721 OKVLQIZKYMQJLA-IBGZPJMESA-N 430.482 2.181 30 10 IEEE C=C(C)COCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1469329730 PVBCSXAYCHQASV-OAHLLOKOSA-N 443.285 2.066 30 10 IEEE CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)N1CC[C@H](N(C)C)C1 1475478402 HHWCCXPBRSZXAV-IRXDYDNUSA-N 426.970 2.067 30 10 IEEE COc1ccc(COCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1504284676 JFAWMFVIZWQTAR-OAQYLSRUSA-N 430.484 2.084 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1507559939 ZZIWLOLDYCTMRM-UHFFFAOYSA-N 449.563 2.388 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1507563506 XAJHJUMKJQXCBN-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(F)(F)C2)CC1 1507726555 IYBSUDUNHKMHKO-INIZCTEOSA-N 448.543 2.460 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1 1507805662 NFEWJCWJPMXPRW-BBWFWOEESA-N 425.599 2.496 30 10 IEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1507918512 HMZSVXJQUPSHEX-QGZVFWFLSA-N 444.605 2.393 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507960848 VTRQEODYPLDLFI-UHFFFAOYSA-N 438.536 2.300 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCOC2)C1 1508095542 XJDSCUVEYLMUIX-QFIPXVFZSA-N 443.573 2.498 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C1CC1 1510018183 HOOOOGHNBBONSW-UZLBHIALSA-N 442.589 2.313 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1516717929 OXWXIHOTWULHNO-IBGZPJMESA-N 447.561 2.169 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC(=O)Nc1c(C)cccc1C 1519164239 HYQRGSKARCFOCE-GOSISDBHSA-N 426.521 2.404 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)OCc3ccccc3)CCC2)cc1 1527912681 NSFWWMDJCLDKSI-UHFFFAOYSA-N 441.509 2.274 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCCN1C(=O)OC(C)(C)C 1528919172 CSEYIODIHRFWCB-KSFYIVLOSA-N 441.536 2.165 30 10 IEEE C#CCC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CCC1 1535863280 ZZLMKZYHNHISRQ-QGZVFWFLSA-N 431.558 2.132 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539025733 MBIYQSUTVRJNHB-AZUAARDMSA-N 448.575 2.266 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(OCCOC)CCOCC1 1539196688 UHFQPLCNKXFVJA-RTBURBONSA-N 434.581 2.478 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1539211488 MRWCDVBOJNXQFH-JLAWEPINSA-N 443.573 2.172 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1Cc1ccc(C)n(C)c1=O 1539421857 ZNEZPBNPLVHDME-UHFFFAOYSA-N 435.528 2.307 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(OC)CCOC2)CC1 1539459791 NYQYROIBQGOXCV-DEOSSOPVSA-N 439.560 2.035 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(OC)CCOC2)CC1 1539462899 PBCFUFHONJSSKZ-QHCPKHFHSA-N 441.601 2.440 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1539765726 HZCZTDWZLVUEOS-SFHVURJKSA-N 431.562 2.143 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC(O)CC2)CC1 1539871529 OVYTVYFFKKJFES-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1540171223 XDPSYPYYSDDFEC-KRWDZBQOSA-N 432.546 2.424 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 1540472644 VIBCZXPMGGYOBC-YRBAHSOBSA-N 436.487 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCOCC1 1540897887 UYRDIWZYCRKRNI-INIZCTEOSA-N 438.525 2.385 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1541247248 RUBUUZIMYQZHTC-UHFFFAOYSA-N 448.531 2.006 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccsc2)CCOC1 1541732787 HKLJTSUPOAIZLB-DZFGPLHGSA-N 447.561 2.017 30 10 IEEE Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543348595 OJPKZRDLRCXMOD-ONNQFXDFSA-N 442.907 2.344 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1554501557 RIQPHUOQJCGNRQ-WIYYLYMNSA-N 444.561 2.216 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1554607339 GHFXEUBPQJYMSE-QFBILLFUSA-N 447.561 2.167 30 10 IEEE CN(C)C(=O)NC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1556701499 SIQZWSWFGZSXPJ-BXFSZVDSSA-N 433.553 2.035 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1556808195 BOWPEGHJZHZYIZ-HNNXBMFYSA-N 438.912 2.266 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 1557385912 MEHYSDNAXBVIGD-LJQANCHMSA-N 427.505 2.475 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)cc1 1557671767 QWAWRIMNIOXNOG-UHFFFAOYSA-N 428.514 2.001 30 10 IEEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1c1cnccn1 1558853587 DBKSTQOTPHSFJB-AWEZNQCLSA-N 441.333 2.284 30 10 IEEE CCn1c(CN2CCC[C@@H](CC#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1559991795 HOGVVAAZQAFCNF-KRWDZBQOSA-N 431.562 2.203 30 10 IEEE COC1([C@@H](C)NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CCOCC1 1564950060 XWQDBTLBEBRWFC-QGZVFWFLSA-N 440.548 2.451 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2Cn2ccnc2)s1 1570075481 IRMUZJASMZOEIG-UHFFFAOYSA-N 430.555 2.316 30 10 IEEE C#Cc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)c1 1570327497 PTLQUJNEQCQBAG-IBGZPJMESA-N 432.929 2.171 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]([C@@H]3CCCO3)C3(CO)CCC3)ccc2c1=O 1570781865 AJJHIWNXOIYBIS-ROUUACIJSA-N 429.542 2.311 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(OC)ccc3Cl)CC2)cc1 1583596862 SLELLPXZBHRIAH-UHFFFAOYSA-N 447.944 2.223 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4CC[C@H](C(F)(F)F)NC4=O)CC3)n[nH]2)cc1 1583847906 IBZMYTQIRBJCQS-NVXWUHKLSA-N 446.433 2.054 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)c1ccc(Br)cc1 1584709144 XZPRKWGGFUSKKX-CRAIPNDOSA-N 445.317 2.136 30 10 IEEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1584892106 CQEIEWSORQKWPT-INIZCTEOSA-N 449.573 2.422 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCN1CCOCC1)Cc1ccncc1 1585534646 NFBCNMLPDNSMPF-OAQYLSRUSA-N 444.576 2.439 30 10 IEEE CN(CCO)CCN(C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1585899397 JMEJGUKOJXNBRT-UHFFFAOYSA-N 426.542 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)CC1 1585925685 VUHJCSGTAIZKOM-GOSISDBHSA-N 426.473 2.156 30 10 IEEE CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1586523335 USFMBKHSRBVDFZ-CYBMUJFWSA-N 432.571 2.355 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588059481 OTGOQGHMLLPMLP-SFHVURJKSA-N 444.605 2.391 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(C)(F)F)cc2)CC1 1588732844 HTGDTKMBCSODKB-UHFFFAOYSA-N 430.503 2.332 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 1588858018 WUYKZBKCICFAKG-UHFFFAOYSA-N 448.575 2.050 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)C(C)C)CC1 1588908753 WGHSRXIIXBDHTH-DEOSSOPVSA-N 439.560 2.327 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1596821564 DBVHTGGKCHXZJU-SJLPKXTDSA-N 446.577 2.067 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1612335144 GYIXFXPFUBBFJB-UHFFFAOYSA-N 432.488 2.038 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 1616218962 YZBSYRQFKZXVFL-HXUWFJFHSA-N 448.608 2.134 30 10 IEEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1618579656 GETPALBOSAQMRA-RQZFFVEVSA-N 448.589 2.186 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CCOCC1 1622582034 FMAVZAOBRIPOGQ-UHFFFAOYSA-N 429.498 2.193 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)cc1 1624399021 KRJSTOSMBOPHNX-BNEJOLLZSA-N 434.414 2.300 30 10 IEEE CNC(=O)c1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc1 1626692843 CXXDMNCHMJNNRZ-OTQYULQBSA-N 426.517 2.449 30 10 IEEE CCOC(=O)C1([C@@H](C)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCOCC1 1627074792 QSBNQUJFJJNCKC-HZPDHXFCSA-N 425.526 2.438 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1Cc2ccc(C#N)cc2C1 1627600742 SGYNVMMBJAEYTB-UHFFFAOYSA-N 426.542 2.253 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 1631331267 UCJAKQMTDSQDPY-GOSISDBHSA-N 432.933 2.227 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1632560330 PWRSQIJARCZCBZ-INIZCTEOSA-N 435.525 2.478 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)COC2CN(C(=O)OC(C)(C)C)C2)C1=O 1634477941 WWBOXBFUPYWMLU-OAQYLSRUSA-N 440.541 2.325 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)Oc1ccc(F)cc1 1637712678 GJRAADMTYAMAQA-IRXDYDNUSA-N 437.468 2.449 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3CCc4c(C#N)cccc43)CS(=O)(=O)[C@H]2C1 1639545584 PMJJKGLYKMPFNT-WDYCEAGBSA-N 445.541 2.118 30 10 IEEE NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)o1 1639782699 LVWVNAPZUTUOTK-WDSKDSINSA-N 442.284 2.170 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 1641026409 BZLWOMCVYKDCHL-MRXNPFEDSA-N 442.497 2.430 30 10 IEEE C=CCN(C)CCN(CC)CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1642917604 FPJHBWNQVSJNTE-UHFFFAOYSA-N 448.633 2.190 30 10 IEEE COc1ccc2c(c1)OC(C)(C)CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1643007767 FUGJPKMCRARMBP-UHFFFAOYSA-N 443.525 2.324 30 10 IEEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1645991299 OKKFDVFCMGWCDI-OXJNMPFZSA-N 432.933 2.212 30 10 IEEE Cn1c(=O)[nH]c(N2CCc3cc(Br)c(Br)cc3C2)c(C#N)c1=O 1652076607 KCBJZTVTPOZHIV-UHFFFAOYSA-N 440.095 2.033 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)c1 1652701422 NLZBTVWNQLCCTQ-UHFFFAOYSA-N 426.436 2.220 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2ccc(Br)cn2)c1 1653342439 SWFSLRTUTPTXJL-UHFFFAOYSA-N 444.289 2.044 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2ccccc2)CC1 1653786490 YQAVFVPOPCDBCD-IBGZPJMESA-N 427.526 2.496 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1656482956 QHKSRFBDMFQVSO-UHFFFAOYSA-N 437.008 2.110 30 10 IEEE C=CCC1(O)CCN(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 1667186839 ZJAGCVNCECSRQC-UHFFFAOYSA-N 430.549 2.295 30 10 IEEE Cc1cc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1S(=O)(=O)N(C)C 1674874716 BCOXUXGUQDVHFN-QGZVFWFLSA-N 429.502 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)O2)C1 1687097524 IUXGGMKWAUHCBL-MOPGFXCFSA-N 426.517 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1689826705 SWZHISSYJBVBDL-NEPJUHHUSA-N 445.467 2.135 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1689994319 WCPVMXPDLLBSFG-IBGZPJMESA-N 430.574 2.115 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2CCOC2)CC1 1690113685 QKHGOXMWKRNXCF-INIZCTEOSA-N 447.381 2.228 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncn(C)n2)CC1 1690115356 BXBRDCXXPVYJBW-UHFFFAOYSA-N 431.331 2.184 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690159816 NGVCDRRJXZEXAW-JOCHJYFZSA-N 441.557 2.188 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1690622493 QNAYYIAFVTXPTI-KRWDZBQOSA-N 426.583 2.168 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)cc1 1690681109 GRAVTZCFBUVANG-JOCHJYFZSA-N 427.505 2.459 30 10 IEEE CC(C)CSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1692459832 ZKOFQYHPTGFVIA-SFHVURJKSA-N 425.562 2.420 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C(F)(F)[C@H](C)C2)n1Cc1ccc(C#N)o1 1692799849 FMVRIIBPTCFHLH-XQQFMLRXSA-N 442.492 2.129 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)CCCO1 1693836719 WXWDAYXGCBVOCH-QGZVFWFLSA-N 431.562 2.460 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1696462697 SKQJVOLXTVSXID-SFHVURJKSA-N 442.589 2.338 30 10 IEEE CN(C)S(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1696623810 BIJJSNQRUOGUIC-OAQYLSRUSA-N 430.578 2.085 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705536918 ZMSWEFSJUSQKGR-BGYRXZFFSA-N 435.576 2.475 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=C)Br)CC1 1705642532 WWQBBYXTBPXJEV-UHFFFAOYSA-N 441.333 2.393 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)CC1 1705739428 GCCVNMLFVZWFFG-UHFFFAOYSA-N 430.597 2.448 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705830981 ZMQPUWBZSPMBAY-XLIONFOSSA-N 441.532 2.346 30 10 IEEE CCN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1709897970 DDFNIIUDVKSYFE-UHFFFAOYSA-N 443.939 2.080 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1711008104 IAALAZGTYNIWPI-OAQYLSRUSA-N 448.568 2.378 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC[C@H]2CCOC2)CCO1 1712886043 GTSFLYNHHXLUTM-QZTJIDSGSA-N 445.495 2.168 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722361450 NISSIKQECROMIW-WDSOQIARSA-N 431.562 2.028 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOCCOC)CC1 1722443518 KQHGRMMTDHZWCK-UHFFFAOYSA-N 445.951 2.227 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CC(N)=O)C1 1722492321 AYFBGMVZTUNEJZ-DZKIICNBSA-N 442.358 2.003 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1722506513 SIEXNZVPUAMAFC-UHFFFAOYSA-N 430.372 2.493 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722523455 UPVZASYVUFVENF-INIZCTEOSA-N 449.552 2.231 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@@H]1OC 1722674293 AWVLKEQXXGZOGK-ICSRJNTNSA-N 443.548 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722728786 YEABLLRFWGLRCU-KRWDZBQOSA-N 432.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722732236 WMFBDYLCGHENHC-SFHVURJKSA-N 436.582 2.070 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(C)(C)CN(C)C)cs1 1725413722 ZLOGQHAOAJCDOA-IBGZPJMESA-N 442.637 2.398 30 10 IEEE CCN(CC)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1728381483 HGHDUVNANUOLJD-OALUTQOASA-N 425.537 2.190 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730442213 LXVDNUYJVZXOHJ-KXBFYZLASA-N 425.493 2.312 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740577162 UQXLIFWAXZSWAU-UHFFFAOYSA-N 440.508 2.150 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(c2ccccc2F)C1 1740629650 VFEFOBBKYDSTNU-LJQANCHMSA-N 434.519 2.253 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)Nc1c(C)cccc1C 1740688830 VKSZDMGWWYHARG-UHFFFAOYSA-N 449.559 2.481 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNS(C)(=O)=O 1740714066 VSAXNJAEPWFVHP-UHFFFAOYSA-N 445.973 2.089 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740795110 OGNCDBSPLHJPIO-GOSISDBHSA-N 441.532 2.043 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1740921700 FLPBVKCHHPMQET-HXUWFJFHSA-N 447.586 2.087 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2)C1 1740979448 FGFSNNOKBPDYTJ-IEBWSBKVSA-N 432.546 2.018 30 10 IEEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1743345934 IJELLTWJEBETCR-YOEHRIQHSA-N 447.465 2.168 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1748667025 LTYKURWGUDGLSV-WBVHZDCISA-N 433.516 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1748690314 QMONQUJLVPMCMZ-OAGGEKHMSA-N 440.552 2.093 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1748803586 XWULLEIDSHCFFX-JKSUJKDBSA-N 430.553 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC(C)(C)C1 1748859637 IYOUHZRITJIGOE-UHFFFAOYSA-N 437.544 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1748887910 IRAUITPJGPXTMB-MOPGFXCFSA-N 440.498 2.273 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F 1749039600 XFAABDSETLRQER-QGZVFWFLSA-N 436.578 2.365 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ncnn1CC(F)F 1749285202 ZSYBFHVITSCTFK-WFASDCNBSA-N 431.875 2.248 30 10 IEEE C=CCCOCCn1c(N2CCN(c3nccn4cnnc34)[C@H](C)C2)nnc1C(C)(C)C 1749461039 NBJKRJKQQODIBP-QGZVFWFLSA-N 439.568 2.321 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1749676692 ZOUVQFVJYLOUTL-QFIPXVFZSA-N 445.571 2.277 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1750075243 BYEOTNYIKNIPBJ-SJLPKXTDSA-N 428.512 2.266 30 10 IEEE CC(C)(C)OC1CC(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1750509537 CMLRCPRVPKHCDD-DAWZGUTISA-N 430.553 2.227 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1752549656 VXWXXTUULREVPW-HRAATJIYSA-N 433.578 2.485 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760129168 FKCCWRLPHHOXHA-UHFFFAOYSA-N 427.553 2.147 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760156974 AAYULKLWZLZKMX-FQEVSTJZSA-N 435.553 2.321 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760182966 LBVZTCWJJUWNQE-WOJBJXKFSA-N 441.557 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1C 1760210190 NYFYGJSGRGUXLH-INIZCTEOSA-N 433.965 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC1(C(N)=O)CCOCC1 1760210458 PNYVMKHJHSEPHK-UHFFFAOYSA-N 437.569 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@@H]1OC 1760214098 BQIGGLXOERCNOK-UGKGYDQZSA-N 436.512 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1760217465 BXZFNNBXAZBMIN-PKTZIBPZSA-N 444.583 2.257 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)SC)CC1 1760255940 QMDWJXKRHCLHSA-UHFFFAOYSA-N 447.630 2.245 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1760261899 SBMVBYKCQUDVIW-UHFFFAOYSA-N 439.551 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2ccsc2)CC1 1760268080 LAJGBJQDCOLFRG-QFIPXVFZSA-N 438.557 2.208 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1760354946 SPKJDFRCKCFCEF-UHFFFAOYSA-N 426.565 2.481 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760526532 BHKRMZVHVWQAEA-FQEVSTJZSA-N 432.528 2.418 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1760533966 XOKAKSNGVCYODR-MJGOQNOKSA-N 446.573 2.266 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCCCCC1 1761493413 HWELTTULEILSBC-APWZRJJASA-N 438.598 2.104 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1768503018 ATDZJNPSQQVJLQ-HSZRJFAPSA-N 438.532 2.333 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(OC(F)F)c1 1771187237 DAEWTTBEUVVATD-ORAYPTAESA-N 440.426 2.489 30 10 IEEE N#Cc1cnn(-c2cccc(Cl)n2)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1852069218 RLXIVIQHSKDQGX-CVEARBPZSA-N 440.891 2.172 30 10 IEEE Cc1nn2c(c1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1)OC[C@@H](C)C2 1852507235 ZDPQUPFKHRVRPY-OXJNMPFZSA-N 440.500 2.028 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1C#N 1853332664 VSCHNQPIUJKWFA-QGZVFWFLSA-N 427.530 2.254 30 10 IEEE CN(C)C(=O)[C@@]1(F)CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1855019879 YYSVILFQVKPTPG-LAUBAEHRSA-N 434.899 2.039 30 10 IEEE C=CCNC(=O)[C@@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861774869 OFNDUKLCZAVNFQ-QGZVFWFLSA-N 427.954 2.325 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 1862628432 YGQFLBKCPCVWOC-IBGZPJMESA-N 426.400 2.269 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866577113 FGTNPGVRKBAUAJ-YLJYHZDGSA-N 443.500 2.188 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCCCCO 1870670391 CMTBPWKZDRYTCS-UHFFFAOYSA-N 436.549 2.143 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870731472 SWQWBMFOKDDEEG-UHFFFAOYSA-N 438.528 2.058 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(OC)cc2C)cc1=O 1871009033 ACXHLHKPGIIZHG-UHFFFAOYSA-N 441.509 2.485 30 10 IEEE COc1ccc(N2CCN(CC(=O)[C@H](C#N)c3nc(C)c(C(=O)N(C)C)s3)CC2)cc1 1872797784 VBANZJUZVOKERM-SFHVURJKSA-N 441.557 2.160 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(O)c(O)c1 1874351630 AZNOJODSIBGCTO-SRZZPIQSSA-N 428.470 2.436 30 10 IEEE COCCCn1c(C(=O)N2CCC(C#CCN(C)C)CC2)cc2c(=O)n3ccccc3nc21 1890381165 VPVZWEPUOCONOL-UHFFFAOYSA-N 449.555 2.103 30 10 IEEE COc1cc(OC)c(CCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c(OC)c1 1891502525 DWVOEEDBLCLCSG-OAHLLOKOSA-N 426.473 2.377 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 1901478621 PGMOVRSVVQYRIZ-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1991987930 OYRLQQQUAFUGLX-CABCVRRESA-N 425.526 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248406479 YTZAVMDIENMIOB-ZDUSSCGKSA-N 437.371 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254792634 XEXPNWUKUXZPIE-CQSZACIVSA-N 437.321 2.250 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638240 MEKAYRFASDOCLH-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2255643924 YLTPFXDQMMMWHB-CYBMUJFWSA-N 434.346 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255649584 UYIMTHFTQLKUGX-AWEZNQCLSA-N 435.305 2.259 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2255813698 VTNMCUBVBRQQDP-FPTDNZKUSA-N 429.326 2.120 30 10 IEEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](C)CO)c1B1OC(C)(C)C(C)(C)O1 2255822889 QIQJXFFTEKKITJ-MRXNPFEDSA-N 427.354 2.305 30 10 IEEE C[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2255878870 GRKCQJRJFHYAST-RHSMWYFYSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)[nH][nH]1 2256623561 RKURTDYUGWMKIG-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267096950 MGBHJPOJWFFPJD-FPTDNZKUSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267105899 RSXNJNTUPZCBCI-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267120689 NWLJCFFUCJDAGM-CYBMUJFWSA-N 444.259 2.418 30 10 IEEE C[C@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267132984 XBMMYORBAMRUHJ-PKOBYXMFSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CC2 2267141271 WHPDSPVUXSYIKV-CQSZACIVSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267142349 SMDPMAYJMGAFER-FICVDOATSA-N 446.357 2.084 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267164056 MOECFODGMVVBOZ-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)o2)OC1(C)C 2269073455 KSDDNGNBGYNZKK-QHCPKHFHSA-N 440.305 2.038 30 10 IEEE CC1([C@@H]2CCCCN2S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)OCCO1 2282490644 KGPBPQRZGMUKQG-INIZCTEOSA-N 443.396 2.354 30 10 IEEE CC1(C)OB(c2csc(C(=O)NCCS(=O)(=O)C(F)F)c2Cl)OC1(C)C 2282663213 MCBJVRGNPQRZDW-UHFFFAOYSA-N 429.703 2.068 30 10 IEEE O=C1C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H](c2ccncc2)C1=C(O)c1ccc(Cl)cc1 2296564589 ULXRTPPRKWAGNZ-RDJZCZTQSA-N 432.885 2.344 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)n1C 2315630076 KEYMHKSWXPWRRA-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE Cc1ccc(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2327805428 DTBMVNWAAOJERF-AWEZNQCLSA-N 438.305 2.257 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cccn1C 2330738690 FKYNEQIMMQOVBZ-UHFFFAOYSA-N 425.518 2.174 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(C(=O)OC)cc1 2330938672 JAVUCJXCEYRWLN-MRXNPFEDSA-N 431.518 2.417 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)cc1 20527599 QUJWAZZWRLMZQP-WSDLNYQXSA-N 425.518 2.488 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 429181039 KCGLVCUEHBHAND-UHFFFAOYSA-N 444.561 2.448 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2CC(=O)OCC)cc1 480373595 XNRGOCRLAQHXMA-IAGOWNOFSA-N 439.534 2.068 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC(=O)N2C(C)(C)C)cn1 484048479 GOCQLOKYLJJNTP-MJGOQNOKSA-N 432.488 2.199 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@H](c4cccc(O)c4)C3)C2=O)cc1 484931474 BXRCPOXYYWZQAU-UXHICEINSA-N 434.452 2.069 30 10 IEEE CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 497486948 UYIDBPUQANSDAP-PMACEKPBSA-N 448.495 2.332 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 498676490 RHIKQQZWXWXMOT-IRLDBZIGSA-N 449.546 2.118 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 504022278 OLAPTKFCXPPXIO-UHFFFAOYSA-N 441.553 2.418 30 10 IEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2nccn(C)c2=O)CC1 508842612 YLRIZQOOPUREHQ-UHFFFAOYSA-N 435.532 2.080 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)cc1 537832858 WQHRXHBTCBQGLX-HXUWFJFHSA-N 445.585 2.406 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCOC2)CC1 549694080 RZBGOCUERYEPDQ-QGZVFWFLSA-N 444.967 2.059 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@H]2CC2CCC2)CC1 550503553 QKTUGUXPVACWMQ-GOSISDBHSA-N 439.516 2.346 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCO[C@@]3(CCCOC3)C2)CC1 557335684 WSCQWWWBZDXEIJ-QFIPXVFZSA-N 426.473 2.431 30 10 IEEE N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 561342381 NBJNTLHYXGRTII-HUUCEWRRSA-N 431.901 2.409 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(c3cnccc3C#N)CC2)nc1C 567049562 JDZZGROXNNDLIN-CQSZACIVSA-N 428.518 2.488 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)CC1 569943527 DJFQPSKLHFDNRD-IBGZPJMESA-N 444.967 2.202 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 586858293 GDEQCZCEBKMTBA-PKOBYXMFSA-N 444.582 2.416 30 10 IEEE N#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(F)c1 609239035 ALZILSKSSWWNJQ-SFHVURJKSA-N 446.504 2.154 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725786928 PGSOULPMRUABLF-QMHKHESXSA-N 425.533 2.155 30 10 IEEE COC[C@@H](C)n1c(SCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nnc1-c1ccccc1 732650912 MAOAVLNDMKGJRA-APWZRJJASA-N 440.573 2.443 30 10 IEEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCN1C1CC1 732664358 HPLMURAJKLBPDT-IBGZPJMESA-N 428.489 2.439 30 10 IEEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 742089943 BUTUPPFHMKXJIA-HNNXBMFYSA-N 445.589 2.383 30 10 IEEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 743111223 VPBVVURTXZVKKM-BUIMCUSZSA-N 449.577 2.364 30 10 IEEE C[C@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)Nc1cccc(C#N)c1 750421234 JFJMWZAAEGTYQG-NSHDSACASA-N 441.245 2.480 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c3cccnc23)c1=O 759227017 MSVNYQMQCIFILG-UHFFFAOYSA-N 437.496 2.116 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)CC1 776019699 JLBBNUDXIQQJLK-INIZCTEOSA-N 425.407 2.248 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(Br)ccc2OCCOC)CC1 778289401 LKFLAQKMFYVWBC-UHFFFAOYSA-N 438.322 2.468 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)c2)n1N=Cc1c(Br)cnn1C 781914783 IPRCHAGXLGFVAB-LLVKDONJSA-N 438.355 2.264 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 786798547 VIGJNSADSGSLDV-MRXNPFEDSA-N 429.517 2.336 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(Br)n[nH]2)cc1 791325434 FOUOBDBELGYYBX-XSFVSMFZSA-N 426.296 2.237 30 10 IEEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)CC1 798229174 DDPJHUGDKJHVIG-XMMPIXPASA-N 430.512 2.206 30 10 IEEE COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)[C@H](C)n2cnc(C#N)n2)cc1 798961172 RWHUUPQIWJLPGM-INIZCTEOSA-N 432.484 2.355 30 10 IEEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2C[C@H]2COC3(CCOCC3)O2)n1 803180831 SBHCVXZOLITKBT-INIZCTEOSA-N 438.513 2.371 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1C[C@H]1CCCO1 812251092 MPASASHAJGKVDW-IEBWSBKVSA-N 443.573 2.367 30 10 IEEE CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 919077381 KRGZANDPVQWJCW-QGZVFWFLSA-N 429.517 2.270 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1c(=O)n(C)c2ccccc21 928979027 BHMICJUQZPEEHA-MRXNPFEDSA-N 436.468 2.227 30 10 IEEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1nccs1 1083975898 LTGCJXJRRCOIKP-UHFFFAOYSA-N 440.514 2.484 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1OC 1084464325 BSYZUWUDUQORLU-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 1129015595 HWYYCCOMPHWZLV-UHFFFAOYSA-N 448.928 2.303 30 10 IEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1 1129684798 HEPDETMKBJSDNG-UHFFFAOYSA-N 431.514 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCC(=O)N=c1cc[nH]cc1 1143615174 KNYKNYFTGVEGPZ-NRFANRHFSA-N 449.511 2.354 30 10 IEEE COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1157866379 WLKGSESEMNSDLQ-MRXNPFEDSA-N 426.853 2.248 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1158323071 LJXGQOMCBMLSSE-APWZRJJASA-N 432.484 2.328 30 10 IEEE C=CCNc1ncc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)s1 1159433280 NGICZNBFGFZNQS-GOSISDBHSA-N 427.574 2.246 30 10 IEEE C#CCN(CC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)C(=O)OC(C)(C)C 1166752838 WEMLBZVAAGSGGQ-SFHVURJKSA-N 435.546 2.290 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1171535298 BWBGTCVUXZGSRV-IBGZPJMESA-N 443.525 2.114 30 10 IEEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)C1 1197219648 FQFMPMOUPRVMBT-IAGOWNOFSA-N 433.530 2.137 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1286293153 MJGYXTQVXHJTJN-HOTGVXAUSA-N 428.541 2.027 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1286314515 PXKNOLVOSASBRU-GOSISDBHSA-N 436.626 2.147 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286315529 AKBKCNFXALNZIJ-FQEVSTJZSA-N 445.527 2.387 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1286397988 FPGMCVDKMJOXSS-XUVXKRRUSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSc2ccccc21 1286419643 BQKVPBLOSUGCQL-SJORKVTESA-N 443.598 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1286428997 BTXBJPGJOVORGT-SFHVURJKSA-N 435.553 2.248 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccsc2)CC1 1286786581 HLCCYLGYTLSOIR-UHFFFAOYSA-N 437.573 2.334 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CCC2)C1 1286810054 XXHRPHCWWGRWJP-KRWDZBQOSA-N 431.562 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CCC)C1 1286823006 QOLPHPASZSGLGO-KRWDZBQOSA-N 439.607 2.240 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286832948 RKVUMHWKHARYOX-SJORKVTESA-N 445.593 2.099 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)C1 1288974021 AFOTYGMRKUEIHU-XMSQKQJNSA-N 430.553 2.230 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)c1 1290941701 CJTCATOKEZGWQZ-HNNXBMFYSA-N 434.539 2.346 30 10 IEEE C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1291641618 QGHKWPLEMGJDNV-PXNSSMCTSA-N 432.565 2.312 30 10 IEEE C#CCOc1ccccc1CNC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C 1293535210 VDQMYBKKZQWAHM-HXUWFJFHSA-N 431.533 2.370 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 1298756893 TUHAGALUPVBKQB-AUSIDOKSSA-N 429.517 2.417 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1300336913 QBURNAUESMYVSD-UHFFFAOYSA-N 443.596 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300569903 DFAJEEBHDACPHJ-IBGZPJMESA-N 448.493 2.400 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300762937 SALCHNMNTUHFLW-RBUKOAKNSA-N 446.621 2.468 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1300765207 BBUCHKJFIOVKRV-LJQANCHMSA-N 438.601 2.373 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1300868499 FBQQUTNXEULILZ-SLYNCCJLSA-N 441.532 2.395 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1300881142 MNQPRVKSGIYQLU-LAUBAEHRSA-N 440.548 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1300881144 MNQPRVKSGIYQLU-UWJYYQICSA-N 440.548 2.053 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1300914363 CQUFHUROMZFDSY-IAGOWNOFSA-N 443.639 2.157 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301044253 DKMWDMSSHWHKTF-UHFFFAOYSA-N 429.887 2.347 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301165899 MJRNSIZVZZWSGQ-VQTJNVASSA-N 445.589 2.224 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1301477960 GDXTZFZXBRBKPM-QGZVFWFLSA-N 429.500 2.243 30 10 IEEE COCCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1301528198 FGGJUHPUXDFKAQ-GOSISDBHSA-N 446.939 2.407 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OC)C1 1301606639 VCCJOOUMBFNQJS-HNNXBMFYSA-N 436.607 2.383 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)cc1 1302989155 IIDYKZVPNARAPB-MRXNPFEDSA-N 446.433 2.443 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1 1312240609 FUGAROXZLMSQDD-UHFFFAOYSA-N 428.489 2.059 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1312581722 GMMOCWUKTKBSBF-ILXRZTDVSA-N 436.475 2.113 30 10 IEEE CCn1c(S)nnc1CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1312835963 NGMSZGBIZHGMHR-UHFFFAOYSA-N 427.534 2.061 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC=CCO2)c1 1316337458 WTEOECDOJVWDLV-SFHVURJKSA-N 427.530 2.434 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1358961155 SINSGOOCYJEURN-MRXNPFEDSA-N 442.570 2.088 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(C)c2ccccc2)CC1 1359038196 NCYBXAATBDZRCY-QFIPXVFZSA-N 446.603 2.420 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359229102 YNXBFMKKBIUNRS-UHFFFAOYSA-N 443.596 2.427 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1359244114 QSBCSHQNZCREOS-UHFFFAOYSA-N 434.562 2.036 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC[C@H]1OC 1359279530 KKDCIRASAWQCDO-FXAWDEMLSA-N 430.505 2.364 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1359304144 NWZLEDSDTXLUCI-DEOSSOPVSA-N 449.559 2.194 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359330587 WZXCTCZXBWCMRY-ROUUACIJSA-N 445.589 2.227 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1359848535 BKCSUBDIDGCASZ-GAJHUEQPSA-N 442.539 2.354 30 10 IEEE CS(=O)(=O)c1ccc(/C=C\C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)o1 1435002484 KHIOLFFUIOBMHD-VURMDHGXSA-N 436.493 2.465 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)c1 1445942820 JLHWZKHZPDXEGJ-UHFFFAOYSA-N 444.444 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 1447478554 CILQANIGLZJPDN-IIYDPXPESA-N 434.443 2.193 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1447597878 OUMPHBORWNMEGI-UHFFFAOYSA-N 435.509 2.353 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1=O 1448521602 SFZXBNWLJXDCTK-FQEVSTJZSA-N 444.576 2.259 30 10 IEEE Cc1nc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C(=O)NCCO)n1C 1449025503 QHTIIJSBOWYKRW-UHFFFAOYSA-N 433.468 2.154 30 10 IEEE C#C[C@H]1COCCN1S(=O)(=O)c1c(Br)cc(F)cc1Br 1463857004 CPYRCTULCQBAIC-VIFPVBQESA-N 427.089 2.373 30 10 IEEE C#CCN1CCC(NS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1464592469 ULDFUYJNQQOBNC-NRFANRHFSA-N 433.574 2.195 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1465076873 SPKLGYASOCOYBK-SJLPKXTDSA-N 433.530 2.280 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H]1CSc2ccccc2O1 1469361645 QTXKHEJLASPAML-GOEBONIOSA-N 431.539 2.285 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1471536087 QFSZUNYPMWESEO-ZDUSSCGKSA-N 431.352 2.291 30 10 IEEE Cc1ccc(NCCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1472011104 RJHCTQMYJKKEPJ-UHFFFAOYSA-N 429.546 2.217 30 10 IEEE Cc1nc(SC(F)(F)F)sc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472035952 QFJOBZCCVUCAEG-ZANVPECISA-N 425.479 2.003 30 10 IEEE COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@](C#N)(c4ccccn4)C3)CC2)cc1 1473703772 YYQYCOSIJHFSBB-RCZVLFRGSA-N 435.572 2.130 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1499986191 CIFXVJRPARWCSW-PXNSSMCTSA-N 440.548 2.221 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1504600728 NVRMVXCSDIJGRC-IBGZPJMESA-N 449.490 2.159 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1504935974 LPSYUJGBFXXGHX-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCSCCCO)cc1 1505315499 MZMTWXHGWDPREN-IAGOWNOFSA-N 429.502 2.046 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CN(C(=O)OC(C)(C)C)C1 1507534128 RJEZWCDRIKDZIT-AWEZNQCLSA-N 442.520 2.331 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1-n1cccn1 1507541668 HWDVYNJCBQCMGQ-INIZCTEOSA-N 446.540 2.357 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1507552849 ADJNYHIDIKHWFT-UHFFFAOYSA-N 447.605 2.255 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507586083 VDKUWOPVHAZPTH-HXUWFJFHSA-N 436.560 2.110 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507651325 LZQSVDIODNSBIH-LJQANCHMSA-N 449.452 2.344 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCCC1=O 1507661021 KFNJUYVBCHPDRB-DEOSSOPVSA-N 441.576 2.186 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCCOC)C1 1507806884 ORKSPLLGTUGZGW-JQVVWYNYSA-N 447.580 2.014 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1507820764 MHLPQPKWQPJMQY-LJQANCHMSA-N 445.589 2.381 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1508092256 ATYDYEDQDPTOCG-UHFFFAOYSA-N 435.532 2.174 30 10 IEEE CC(C)(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1508685652 UYXDVNHJXKSNLO-HNNXBMFYSA-N 447.561 2.477 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1516667824 UTXJLWOJKMDOEI-FDDCHVKYSA-N 438.532 2.070 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)ncn1 1517612643 BDRXVTHOVIXKBK-OKZBNKHCSA-N 439.568 2.269 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c(-c3cccn3C)nnc2N(C)C[C@@H](C)C#N)ncn1 1517612700 CDVCSASBRQSFQE-DLBZAZTESA-N 434.552 2.380 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)c2nccnc2c1 1535350100 YXKABJHDVBWIQW-GFCCVEGCSA-N 438.289 2.405 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1538972028 JCEKFNSCOWNQKL-YZZKKUAISA-N 427.549 2.341 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1539045045 PAKKYWVCQZDZHB-UHFFFAOYSA-N 433.965 2.234 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@@H]1C(C)C 1539409294 VTBBSQUKTXJIRK-OXJNMPFZSA-N 429.521 2.153 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1539412620 AXZDGJMXFZOBKP-SJORKVTESA-N 436.516 2.231 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539512761 HQWJDYCDTJGWBQ-UHFFFAOYSA-N 438.605 2.312 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OCC)c2)C1 1540891675 XZMBEFJELLEYRX-ZWKOTPCHSA-N 441.532 2.466 30 10 IEEE CC(C)(C)Cc1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541170458 STAVICYYSLNYIL-FVGNFYTDSA-N 442.564 2.398 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1541184776 JNHYNAYQCXXVQZ-AZUAARDMSA-N 430.597 2.486 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(C)(F)F 1541911018 HQRGFFJAYBIHMA-ZDUSSCGKSA-N 426.493 2.442 30 10 IEEE COCCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555463222 XQHCKQRMWYKSCY-LJQANCHMSA-N 425.537 2.192 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1556584648 DFKAPQQTBHUGKP-OFQRWUPVSA-N 430.954 2.195 30 10 IEEE CCO/C=C/[C@](O)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(F)(F)F 1556794292 GTHDJQVRHHRIDI-KAMXEHQASA-N 434.436 2.337 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C(=O)OCC)c2ccc(OC)c(F)c2)c1 1559763450 DRLNIEOCSZKOEI-HXUWFJFHSA-N 427.432 2.358 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@@H]3C)n1 1561531608 MSWCTTBSHFLACK-KRWDZBQOSA-N 444.557 2.214 30 10 IEEE Cc1nsc(N2CCN(C(=O)Nc3ccnc(OCC(F)(F)F)n3)CC2)c1C#N 1562953140 DHOUZTCDXIBODL-UHFFFAOYSA-N 427.412 2.408 30 10 IEEE C=CC[C@H](CO)CNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1565148553 KUNISSHLKDFGAM-KRWDZBQOSA-N 444.536 2.276 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)CC1 1565590235 SQQJZBMJATYMGZ-UHFFFAOYSA-N 428.533 2.463 30 10 IEEE CN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 1566318225 WEZMXNHZKDPACC-LPHOPBHVSA-N 436.434 2.199 30 10 IEEE C#C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 1569673199 DKGZBQOBIVCMAH-MRXNPFEDSA-N 446.326 2.368 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1587808520 SVSFGXJHBCWXCJ-QUCCMNQESA-N 444.605 2.012 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588049646 KGGBJNXOVZDSBP-FQEVSTJZSA-N 433.622 2.438 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588049845 MDNCHZLREZGHCB-FUHWJXTLSA-N 444.557 2.258 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCN(C)CCOC 1588093224 GNVHNAFSFAYAFZ-UHFFFAOYSA-N 448.340 2.498 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C(=O)NC)c1 1588173444 APXGFBXFJVLJTG-UHFFFAOYSA-N 434.544 2.067 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C/C=C/CC)CC1 1588750328 CKKVBQZGGPEEBX-VOTSOKGWSA-N 441.605 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCCCCC2)CC1 1588913645 OYRKKXZABIVPRM-UHFFFAOYSA-N 435.576 2.182 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CCC 1595490114 MRYUNBQWBBNWJS-UHFFFAOYSA-N 433.582 2.085 30 10 IEEE COC(=O)CCN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C)C1 1597886712 UWRCWDQQBGLRPQ-QGZVFWFLSA-N 430.354 2.004 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC(F)F)CC(=O)N1C 1612977509 DZORGWIBYLRLMI-OAHLLOKOSA-N 448.474 2.067 30 10 IEEE CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1613224620 XAJGTKNQUZSZBK-ZSEKCTLFSA-N 425.493 2.119 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCC1 1617562915 AIILHPQHOAHOLJ-LJQANCHMSA-N 449.559 2.167 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCOCC1 1617868436 BFPPJEZGJNXYPM-FQEVSTJZSA-N 438.532 2.323 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)N1CCOCC1 1620002707 WOVKALDJCITBCO-GCJKJVERSA-N 434.585 2.243 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@H](CC#N)C(F)(F)F)cc1 1626359193 BTJXQHOGSATQCQ-JKSUJKDBSA-N 431.436 2.393 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1627789746 AUOKQBHJLGYMRW-HXUWFJFHSA-N 426.542 2.272 30 10 IEEE C#CCN(CC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1)C(=O)OC(C)(C)C 1634924375 SGFJHJCINBVBQY-FZKCQIBNSA-N 443.466 2.114 30 10 IEEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1636719919 YKRYIICTJYUINO-GFCCVEGCSA-N 433.559 2.080 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3Cc4cc(C(=O)OCC)nn4C[C@@H]3C)n[nH]2)c1C 1638615244 DPZSMFXELRISFZ-ZDUSSCGKSA-N 437.504 2.494 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1642858431 CLXZLEJNWNLDSC-BCIHCZEGSA-N 432.521 2.197 30 10 IEEE CCOCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCc2ccccc21 1648771111 QODRUFKALGKLOF-IBGZPJMESA-N 427.526 2.278 30 10 IEEE C=CCn1c(SCC(=O)N[C@H](CO)Cc2cnc[nH]2)nnc1-c1ccc(Cl)cc1 1650645408 WRYQGCJATBMIKF-INIZCTEOSA-N 432.937 2.320 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC3(CC2)CC(=O)C=CO3)(n2cccn2)CC1 1652927465 DCMUMMYXOOETBM-UHFFFAOYSA-N 444.532 2.474 30 10 IEEE O=C1NCCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1C(F)(F)F 1658202098 JJCYCAPHUCVUQQ-IBGZPJMESA-N 441.409 2.478 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCCCC(=O)OC 1666111628 ZUEZBCWLBXBBSU-UHFFFAOYSA-N 430.567 2.384 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)CC1 1682765511 LOOJVDYLJVFTAF-UZLBHIALSA-N 428.508 2.049 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1690113968 YZXIJDLSXXITNQ-ZJSXRUAMSA-N 439.560 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)O)CC1 1690150429 GZESMQWCAWCRDE-UHFFFAOYSA-N 434.544 2.018 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccco1 1690246148 RKPGNICSDYJXKR-HQRMLTQVSA-N 429.521 2.456 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1690308079 ACIHLULHBPBDEY-GOSISDBHSA-N 435.532 2.425 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690576260 SZNZQHBOKJIPJC-FQEVSTJZSA-N 445.570 2.144 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690622419 PFDHXSWUYQNTFR-HOTGVXAUSA-N 436.557 2.123 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1690660943 RISQXQNMHABOJB-FQEVSTJZSA-N 446.559 2.239 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1690917810 MSISJBJTUSCXOF-GOSISDBHSA-N 445.483 2.347 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1691549921 BLTPUCNZTJLYKI-WMZHIEFXSA-N 437.548 2.264 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCCC2)CCOC1 1692596998 XZAXYSVALIFMDE-PGRDOPGGSA-N 433.553 2.133 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1696586384 BWIPXXOUVDLDQD-ICSRJNTNSA-N 438.532 2.212 30 10 IEEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCC2)C1 1698308601 BVTQZZMTZNVXSP-SFHVURJKSA-N 428.562 2.479 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1705563291 URSKZQCHBHUIAV-FQEVSTJZSA-N 442.585 2.439 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1705571206 XRWACOZDSHMAOC-NHCUHLMSSA-N 447.649 2.369 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705820821 AKVQCPRMNDHAHF-UHFFFAOYSA-N 432.532 2.051 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705938752 IPCLWSHMLSKHJK-KRWDZBQOSA-N 429.594 2.236 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1708175399 FGXNCXANUYOROT-ZHRMCQFGSA-N 438.576 2.381 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1708623774 FNBLHBLGJYCYKT-QGZVFWFLSA-N 447.547 2.171 30 10 IEEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCN/C(O)=C1/N=CC=CC1=O 1711940603 DLRFFEORIHPHDL-DSGGYQJVSA-N 435.488 2.218 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1712168091 XNLHTTVVKCEKFW-VQTJNVASSA-N 439.495 2.212 30 10 IEEE COCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1712464195 YCLOKQRENNZGHA-QHCPKHFHSA-N 440.548 2.163 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1-n1cccn1 1712522193 QJKDMOZDJMATAK-KRWDZBQOSA-N 436.520 2.371 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(SC)CCOCC1 1712530065 GJOUDSNXVBMDSU-QAPCUYQASA-N 427.546 2.356 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1712625742 CVTAIXOVLIIYFN-PMACEKPBSA-N 438.532 2.036 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722317486 GIRXLWBNRCDUCR-QGZVFWFLSA-N 441.536 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1722381632 TVKVKBPQTNAGBC-WMZOPIPTSA-N 429.484 2.156 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722534537 QYAPUXZDLSTTFY-IRLDBZIGSA-N 440.592 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722692997 APWUUNGLKGXYKG-KSSFIOAISA-N 426.477 2.159 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1722696262 HENHGOQIGMODQU-UHFFFAOYSA-N 435.507 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722727581 PHMSZHQGKPCZPY-SQNIBIBYSA-N 425.599 2.039 30 10 IEEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1723393947 OKJVSDKEXQBPFB-UHFFFAOYSA-N 437.548 2.036 30 10 IEEE CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1728436223 MFUDTRAYHKLHOQ-LSDHQDQOSA-N 444.499 2.288 30 10 IEEE COc1cc(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1729986973 HEGJYRVMYWOXHA-IBGZPJMESA-N 441.532 2.168 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2CCOC2)c1 1730995092 VEMKIAJLCIACDL-FOIQADDNSA-N 433.509 2.217 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740621629 XWYVWWHDXLTJDK-MOPGFXCFSA-N 441.582 2.339 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740623457 UORNCCHLCMRHEO-PMACEKPBSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1740636917 IGHAGRXYPCLUDG-JOCHJYFZSA-N 427.556 2.316 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1OCCC1(C)C 1740650593 HAOCFRQPTRFROR-FQEVSTJZSA-N 430.516 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2csc(CC)n2)CC1 1740703829 BPLFSANOYGXPMH-UHFFFAOYSA-N 437.573 2.317 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1740730716 GXIQPAKDOVUQSZ-WTOYTKOKSA-N 446.573 2.290 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1740793826 YJDPRQUBUUDTRA-IBGZPJMESA-N 435.532 2.020 30 10 IEEE C=C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 1740826208 CYWSHJOPTVQAPK-UHFFFAOYSA-N 427.640 2.402 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740880797 NPVWQWBVMZJPSA-AOMKIAJQSA-N 448.568 2.112 30 10 IEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 1740889645 GIXDANWYKFJCCB-HOTGVXAUSA-N 448.486 2.488 30 10 IEEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1741136030 IBGQQQSDXJNTPK-AWEZNQCLSA-N 447.465 2.168 30 10 IEEE CCOCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1747334621 OYYLLPJFMVGUQA-IXDOHACOSA-N 434.541 2.204 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1748309237 ABKSWOFIEPTPFI-INIZCTEOSA-N 449.458 2.400 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1748713649 CXAZSVOCFGSUOJ-FUHWJXTLSA-N 431.562 2.430 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1748715231 OMCSDXIDWFROFH-MOPGFXCFSA-N 437.610 2.431 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1748730028 CCYVAEWKHQEHRY-QUCCMNQESA-N 430.597 2.157 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 1748790168 WIXSCSWSHLGZCR-DENIHFKCSA-N 438.576 2.134 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(C)C)CC2)CC1 1749001578 XAHAYPGWZXGFNP-UHFFFAOYSA-N 449.559 2.327 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC=C 1749078024 DNBLRAYPMBDOKE-JOCHJYFZSA-N 439.541 2.322 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749371078 XUPYFNWHESVJGK-SFHVURJKSA-N 449.563 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749657684 ASKMAYZQWFBKQX-UHFFFAOYSA-N 443.577 2.152 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@@H]1CC 1749689428 IYIQGOLHXMFDHX-FQEVSTJZSA-N 449.559 2.468 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCO[C@H]1C(C)C 1750030981 SXVIDUQGNVYAMY-UKAVVXHISA-N 446.596 2.240 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCCCO)C1 1750380227 MNEFAOXLEQOZTI-HXUWFJFHSA-N 433.509 2.274 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1760145157 IXNZOEJJPZOTHE-NVXWUHKLSA-N 445.545 2.372 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cn2ccnn2)CC1 1760157018 BECXGTCBKRJCOQ-UHFFFAOYSA-N 438.561 2.191 30 10 IEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1760192031 CWTWGBSTNGQALN-UFYCRDLUSA-N 448.589 2.129 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1760282114 WEXFKHYVBUVAER-HXUWFJFHSA-N 433.622 2.087 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760425400 LINQDVRSCCCORV-WBVHZDCISA-N 428.541 2.160 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@H]1C 1760689451 XKQIPTNULYRIBI-FHSNZYRGSA-N 437.342 2.182 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1761358298 UBTILXAZEALFTJ-MRXNPFEDSA-N 444.561 2.280 30 10 IEEE Cc1coc(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1762209731 GTHQODRGJGGWFX-HNNXBMFYSA-N 426.502 2.257 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1OCCC1(C)C 1766400691 LCMNLTLRSJKJBD-GOSISDBHSA-N 425.537 2.223 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)cc1 1848735327 FECNKPSTVRUXDZ-UHFFFAOYSA-N 428.514 2.135 30 10 IEEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2)c(C#N)c(C)[nH]1 1851587943 CETXKSFAIZGQRP-CYBMUJFWSA-N 433.390 2.093 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4F)C3)ccc21 1854194740 BCSRXBVXNBDZJK-CQSZACIVSA-N 427.457 2.333 30 10 IEEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)CCCOc3ccccc3)C2)cc1 1854345900 JTLOGAXDZVAXDS-HXUWFJFHSA-N 430.482 2.059 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CC(C(=O)N4CCCC4)C3)C2=O)c1 1854834709 AYOMJWJQFNIBLC-LJQANCHMSA-N 428.920 2.091 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C)C(C)(C)C2=O)[C@@H]1c1ccc(C#N)cc1 1856056619 GPBIGWSWXZABCT-RBUKOAKNSA-N 428.558 2.031 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)c1 1856269953 JGWNDCOYGIDLGQ-KRWDZBQOSA-N 425.510 2.166 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCc3cccc(Cl)c3)C2)CC1 1857027267 WUZPCZIAQNDXPA-KRWDZBQOSA-N 437.949 2.213 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(F)c(Cl)c3)C2)CC1 1857034310 PNOYLKNVJBZBTQ-AWEZNQCLSA-N 427.885 2.033 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)cc1 1857452897 GNMYKPYJUDSYBW-OAHLLOKOSA-N 426.498 2.138 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1862569433 MQHRSLDKPDUYTG-HXUWFJFHSA-N 442.468 2.255 30 10 IEEE C#CCOc1cn(C[C@H](C)O)c(CNc2ccc(I)cc2)cc1=O 1871008271 OSIMPNNHLINYNJ-ZDUSSCGKSA-N 438.265 2.458 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874474491 GIYUGPYBJKTWSH-YDZHTSKRSA-N 441.513 2.169 30 10 IEEE COCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874498695 CKMOULRFKAFCDH-FOKLQQMPSA-N 441.513 2.472 30 10 IEEE CN(c1ncc(Br)cn1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 1890825217 BFNPVUFRBNVKKX-OAHLLOKOSA-N 436.335 2.400 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891198419 QCWXXSGKVKHBGM-SJLPKXTDSA-N 439.541 2.427 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1992858203 ZBRROQDIZYGVLT-OAGGEKHMSA-N 427.542 2.190 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC12CC(C#N)(CO1)C2 2010548938 GSPNUIOPGSJCEJ-NWLLBJEDSA-N 428.533 2.201 30 10 IEEE C=CC1(NS(=O)(=O)c2ccc(Br)cc2N)CN(C(=O)OC(C)(C)C)C1 2075319632 YDWBPTMUICHYMI-UHFFFAOYSA-N 432.340 2.485 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2129059627 IJMYNHOWERFEGM-RTWAWAEBSA-N 436.365 2.256 30 10 IEEE CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243665039 PHEHOBQFHISEDR-CYBMUJFWSA-N 425.360 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247782567 WZYZPGADWFHZNE-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE C[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255539388 YQLWSGRWUVXNGK-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1 2255542250 OWOUREAAJZTLBK-IRXDYDNUSA-N 432.326 2.390 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2255812625 OFKHOEWVVAJIAP-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE CCn1cc(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815994 XJOPSTIHGYVFPB-ZIAGYGMSSA-N 436.362 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255818837 QUHVSECPWZVECZ-LSDHHAIUSA-N 435.305 2.305 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255879999 YFALYPJMSJBETC-UHFFFAOYSA-N 429.326 2.216 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256636629 PUBVRNROQBVQSX-OAHLLOKOSA-N 432.330 2.492 30 10 IEEE CC1(C)OB(c2occc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256921848 AHSKZZXBQCFOEM-INIZCTEOSA-N 429.278 2.369 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258956844 HTMNGDITVGLZPY-AOMKIAJQSA-N 434.342 2.154 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504325 QWJOGRBNLVUJCU-GOEBONIOSA-N 448.373 2.095 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2267514673 CKHYITHTGFNFRF-UHFFFAOYSA-N 446.313 2.309 30 10 IEEE Cc1c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527012 AHDAAXGOUBBTRL-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2269707464 NRQNTKPCUPBYJZ-GOSISDBHSA-N 440.305 2.089 30 10 IEEE C#CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCCC1 2286035718 BNMMPJLZSRMDLC-SFHVURJKSA-N 436.530 2.100 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2300341137 GOCPIGOFDLOZFJ-BETUJISGSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2315694342 XZGBDMHMGTZGQZ-HUUCEWRRSA-N 449.382 2.285 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1 2323720639 RLEQMMLAIRMSIN-FQEVSTJZSA-N 438.480 2.369 30 10 IEEE COC(=O)c1ccc(C=Nn2c(CCc3cccs3)nnc2SCC(N)=O)cc1 2329652745 BJCHABHORJKCIL-UHFFFAOYSA-N 429.527 2.371 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(Cl)cc1 2330748497 VXEXXMQCZRIQGN-UHFFFAOYSA-N 446.920 2.451 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334261814 HPTAUVWMXZUHEL-SDADXPQNSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2334270013 VDDVXZYZVAOAAZ-VBNZEHGJSA-N 447.316 2.258 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337193045 SCNQTXXLKPIVFI-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1NC(=O)OC(C)(C)C 2337202938 QTIOQDUJJAFWIH-CABCVRRESA-N 448.373 2.095 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)Nc1ccccc1OC 18759954 NMMGAFWAMGISDJ-XMMPIXPASA-N 449.463 2.342 30 10 IEEE COc1ccc(C(=O)/C=C2\Nc3ccc(C(=O)N4CCOCC4)cc3NC2=O)cc1OC 20156562 DDPMREZNEOXFCE-AQTBWJFISA-N 437.452 2.307 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(OC)cc3)n[nH]2)cn1 59887193 HSEXJSCVJATBAW-RGVLZGJSSA-N 444.521 2.223 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 217065352 AJNNEMIJULKNGS-UHFFFAOYSA-N 443.301 2.378 30 10 IEEE CC(C)N[C@](C)(C#N)Cn1cnc(I)c1I 304457972 XPJIPTHAEJAQIM-SNVBAGLBSA-N 444.058 2.373 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCOc2ccc(C#N)cc2)c1 460262883 MVUVWMYHQGEYHC-UHFFFAOYSA-N 442.541 2.218 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 460958863 LSFDACXVHCEMOL-INIZCTEOSA-N 435.550 2.056 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(F)cc(Br)c1 480572373 CYCMSZXOBSJGSG-NSHDSACASA-N 440.294 2.443 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](CO)c3ccccc3)nnc12 489971334 KDSAYUVBLFAVPR-QGZVFWFLSA-N 449.536 2.215 30 10 IEEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 502614928 ALUZBDWDNFBENF-HXUWFJFHSA-N 437.518 2.336 30 10 IEEE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503610740 NEYIYUDLUUPYQS-HDICACEKSA-N 426.517 2.053 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 505133810 CXDCATOABCAKSL-INIZCTEOSA-N 443.525 2.304 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)Cc1nnc(C)n1C1CC1 506931191 QFHJJGHFFFAHSD-UHFFFAOYSA-N 432.481 2.391 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 508252294 AMADPRVWUIMIBN-MGPUTAFESA-N 426.904 2.350 30 10 IEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 515228096 DZOWMKZYFSNWCF-INIZCTEOSA-N 431.470 2.029 30 10 IEEE C=CCN1CCC(NC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)CC1 517342161 WRINYOVMHVHHMG-UHFFFAOYSA-N 432.565 2.190 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)Cc3ccc(C(=O)OC)o3)cc21 526898118 OGKXNUJGYFFZOD-FZPQWHJUSA-N 431.466 2.498 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(C[C@@H](C)C#N)C3CC3)CC2=O)cc1 533142012 YWZDCUALEXYKKM-DLBZAZTESA-N 446.573 2.221 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(C(F)(F)Oc3ccccc3)n2CC(C)C)CC1 549440270 NYZFQBPFSDQXSK-UHFFFAOYSA-N 448.518 2.487 30 10 IEEE C[C@@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 585473429 XHQXLXUMVLQSQS-QGZVFWFLSA-N 426.546 2.238 30 10 IEEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 609743635 GAXURENTCZSMAZ-LJQANCHMSA-N 428.514 2.487 30 10 IEEE C#CC[C@H](COC)NS(=O)(=O)c1c(N)cc(Br)cc1Br 716801165 SDYRANARKOECOV-SECBINFHSA-N 426.130 2.110 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCN(c3ncccc3C#N)CC2)n1 725796055 PDCFCNXUIZJLKO-UHFFFAOYSA-N 427.509 2.418 30 10 IEEE Cc1nc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1c(Cl)cccc1Cl 732155757 FBFYENWIVBLWTG-SAPNQHFASA-N 435.271 2.139 30 10 IEEE N#C[C@H]1CN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CCN1C1CC1 732650563 XJKDNHNWFRKXJA-HNNXBMFYSA-N 445.317 2.024 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 732812629 CTIDYRQSMCYKFW-GOEBONIOSA-N 426.439 2.425 30 10 IEEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 751725489 YPKJOCHJMHSCMJ-INIZCTEOSA-N 435.484 2.423 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cccc(S(N)(=O)=O)c1C 754321150 AOWPHPTZKOWXIY-HNNXBMFYSA-N 445.497 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 758228472 ZVMGOLUWQKMUHJ-XSAFGROZSA-N 434.537 2.493 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)CC2 760987904 SVPCMYSUFIMGJW-UHFFFAOYSA-N 449.916 2.092 30 10 IEEE N#Cc1cccnc1NCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768931066 CNDSASGVKFGESK-UHFFFAOYSA-N 433.560 2.397 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)n1 788914965 ICPKATZIMCOPOY-KRWDZBQOSA-N 431.487 2.479 30 10 IEEE COc1ncccc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790740297 WXBSPJRVTSMHOW-MRXNPFEDSA-N 447.586 2.351 30 10 IEEE C=CC[C@]1(C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)CCCN1C(=O)OC(C)(C)C 791716851 OBEVWHBEAIGOGT-VGOFRKELSA-N 437.537 2.003 30 10 IEEE C[C@@H](C(=O)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1cnc(C#N)n1 798865229 RZDCRKTUMSATCD-ZETCQYMHSA-N 441.313 2.253 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)nc1 878390826 AQFUMBLQUHOGLY-KRWDZBQOSA-N 438.484 2.419 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 916921914 SJGDNWFWQJFDNI-UYAOXDASSA-N 449.507 2.433 30 10 IEEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)C1(C#N)CCSCC1 1134926343 CHNOPXGZTMGECQ-UHFFFAOYSA-N 434.566 2.327 30 10 IEEE C=CCC[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OCC 1140930006 NYYZDLDMUGFQJJ-UZUQRXQVSA-N 425.485 2.142 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCCNc2ncccc2C#N)C1 1142386890 ZGDDWXPKZYOINA-XXBNENTESA-N 437.500 2.298 30 10 IEEE C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)CCn1cc(C#N)c(O)nc1=O 1160374193 IHZZNKBEZZGWLO-ZIAGYGMSSA-N 449.433 2.355 30 10 IEEE CC(=O)N1CCc2ccc(S(=O)(=O)NC3(c4cccc(C#N)c4)CCOCC3)cc21 1192673529 SAWIWLJZAHAZIK-UHFFFAOYSA-N 425.510 2.451 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Cl)c1Br 1208449138 HOTWZLVZVJUGRD-GFCCVEGCSA-N 440.768 2.055 30 10 IEEE C#CCOc1ccc(CNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)cc1 1273117745 CDBJPGNWDJIUGY-UHFFFAOYSA-N 425.510 2.176 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1286348423 WPTLJWXIQAIWBY-HXUWFJFHSA-N 436.560 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1)N1CCOCC1 1286407424 VDVXLOFEZXBMRI-HSZRJFAPSA-N 426.524 2.486 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1286426213 NZMBJVCUAPOPPJ-RTBURBONSA-N 444.539 2.206 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCO[C@H]1C 1286462939 BPSTWEZYQCDKJO-YCRPNKLZSA-N 434.924 2.233 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1286505169 VXSUIZLNOJBTLK-AEFFLSMTSA-N 442.564 2.450 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286562057 PTUYRWSJYOSKHF-PKOBYXMFSA-N 431.562 2.335 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286688898 ZZPJDQOLKDKEBA-KRWDZBQOSA-N 425.599 2.389 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)C 1286745705 ZXQKYUUYPNIAIE-JOCHJYFZSA-N 431.512 2.350 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(Br)c1 1286786171 ZCVOIBWQQAMMMH-UHFFFAOYSA-N 444.337 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC)CC1 1286787688 YBOALJRQNKIPJX-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286790790 PFQLJLCJGDKBFF-NRFANRHFSA-N 449.559 2.067 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1286795570 JJRTYSICOIMETE-MRXNPFEDSA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286820321 JKKDNXRUWUIDLP-UHFFFAOYSA-N 437.610 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC1(C)C 1286822861 IPXZMEANDYFKAX-UHFFFAOYSA-N 437.591 2.249 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286955611 RQWVNXWNHNGHIS-OAQYLSRUSA-N 437.548 2.244 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1287138306 HDEHHRIDODAJFL-KRWDZBQOSA-N 432.912 2.011 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)Sc1ccccc1 1288672686 AXFMNCSYYVAYNT-IAGOWNOFSA-N 426.546 2.310 30 10 IEEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1)C(F)(F)F 1288751033 HKMOIKZBLGRDJE-RHSMWYFYSA-N 447.465 2.168 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2c2ccc(COC)o2)ccc1F 1289111107 STHMUGIQQNBTAU-KRWDZBQOSA-N 438.477 2.243 30 10 IEEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1294666614 HPHOQTGHGWWLRY-IBGZPJMESA-N 442.589 2.029 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 1297246967 UFECMEBBBDBKCY-QXAKKESOSA-N 433.574 2.438 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)s1 1300021547 ZNBCAZFQKAWRAX-SFHVURJKSA-N 444.582 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCOCC1 1300304915 QRFZORSKZYIEGY-KRWDZBQOSA-N 435.532 2.164 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1300310383 MQXABBWGKGITOO-AEFFLSMTSA-N 431.537 2.391 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1300380448 BRIDCFIYCIKWTH-UHFFFAOYSA-N 441.495 2.395 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 1300408535 AIPFPXLJLLIWSS-HZPDHXFCSA-N 437.591 2.283 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300489443 OIAWWEKYZZBHJL-GOSISDBHSA-N 445.495 2.489 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)N(C)C)CC1 1300690364 JCBDVFLVOSMNNI-UHFFFAOYSA-N 435.359 2.485 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1300801357 OWFARTCYWJABNA-OAQYLSRUSA-N 447.561 2.211 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1300806425 VBYFLEUXIHRAJY-WIYYLYMNSA-N 430.530 2.217 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300844768 SIRAOBAIHLQPAQ-UONOGXRCSA-N 439.314 2.350 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301055392 ZPLVBDJVGLWYDN-RTBURBONSA-N 425.468 2.113 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C 1301368223 ZFFZLLMTXVERDG-RTWAWAEBSA-N 430.597 2.113 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(N)=O)c1 1301403441 ZHTMTLIIKMKLBA-UHFFFAOYSA-N 448.527 2.489 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CCCOC2)C1 1301587455 ZYQQEFANLMMCKM-NRFANRHFSA-N 431.562 2.256 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@@H](O)c4ccc(C#N)cc4)C3)[C@@H]2C1 1308028463 LWIFMLPUXLVALB-NMLBUPMWSA-N 442.516 2.106 30 10 IEEE CS(=O)(=O)CCOc1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1310988617 DOHDWLUJUOGXHI-UHFFFAOYSA-N 434.543 2.397 30 10 IEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)cn1 1313842390 UHYKAIFANROPFO-QHCPKHFHSA-N 448.531 2.060 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1314443757 UHIUDMQXNCZHGZ-TZIWHRDSSA-N 441.532 2.397 30 10 IEEE N#Cc1ccc(COC(=O)[C@@H]2[C@@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]45)[C@@H]23)nc1 1327648657 RUTGHXWWJWCDQF-RPEUOYKBSA-N 439.471 2.476 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)cc1C 1329604497 WVVQDFLYVATZAS-WIYYLYMNSA-N 449.559 2.360 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1351378285 PUYWXCIXHDICJQ-UHFFFAOYSA-N 449.305 2.070 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962258 MZLNSFUOBRXIQC-HUUCEWRRSA-N 448.511 2.387 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCOC[C@H]1C 1358970291 KYFKTYPCNPAJRI-MOPGFXCFSA-N 425.508 2.351 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1359142211 CIUNWHGAWGAOKC-VXGBXAGGSA-N 445.895 2.189 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359229832 WHHQGOXCRXKKPA-QGZVFWFLSA-N 429.496 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)C1 1359321761 LGFJHKAWDANCCM-UGKGYDQZSA-N 435.638 2.466 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1359328429 DCYILKJWBFVINU-IBGZPJMESA-N 445.589 2.071 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)[C@@H](C)C1 1359386916 RBNMKXWRFOUZNK-KSSFIOAISA-N 430.459 2.298 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1359570513 FRBZVUFCHPSJGF-INIZCTEOSA-N 427.509 2.374 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1360261312 FUXDEEHYGVGOCU-MRXNPFEDSA-N 447.337 2.351 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)ccc1F 1439115363 ATNPSTKEQQETQI-KRWDZBQOSA-N 447.488 2.387 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1456064021 NZPQPYCFSSGXIM-MSOLQXFVSA-N 429.521 2.382 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCC1 1462751145 VHFHNSHCJRTXNG-MRXNPFEDSA-N 436.553 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCN1C(=O)CCC1=O 1464848403 KQSZCIMCCQAROC-FQEVSTJZSA-N 440.500 2.048 30 10 IEEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1469464298 TZLFYUKZBBBPNB-SFHVURJKSA-N 447.488 2.201 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)[C@@]2(C#N)CCCOC2)CC1)C(=O)OC(C)(C)C 1470535803 VFZKAESROQDFHK-JOCHJYFZSA-N 436.553 2.061 30 10 IEEE C=CCCC[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OC 1471894234 YFGYUJZNYFZINT-HNNXBMFYSA-N 432.336 2.378 30 10 IEEE CSc1ncc(I)c(N2CCN(c3cnccc3C#N)CC2)n1 1472794454 QWPQAYYRFYJRNG-UHFFFAOYSA-N 438.298 2.396 30 10 IEEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc21 1474803336 DCGAKNLMLPPCKV-INIZCTEOSA-N 439.541 2.324 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2)C1CCOCC1 1475515365 QNUAVGAYQWVZNV-HNNXBMFYSA-N 441.347 2.431 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1476289017 IZDOWBTZRPOCHL-YOEHRIQHSA-N 427.505 2.436 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3C[C@H]4CCCCN4C3=O)c(C#N)c2N)cc1 1478777380 XFPGERUBRYIJOA-XLIONFOSSA-N 435.532 2.020 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1479283130 XHGDDOKAPNTXHU-GOSISDBHSA-N 428.514 2.152 30 10 IEEE C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1nnc(O)n1C 1479375902 MLEQMBXKPDDSRQ-LYFYHCNISA-N 437.291 2.394 30 10 IEEE CCc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1498884611 YSBCYXOLKVRWBE-XTQSDGFTSA-N 448.527 2.466 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1501550248 IHMSHVHPMONVGC-OALUTQOASA-N 427.530 2.175 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1507521207 KZSJEGOZMCEEDB-RDTXWAMCSA-N 441.532 2.344 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1507564715 VTCLGKHVABTEKR-RBUKOAKNSA-N 435.594 2.183 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1507630384 XWXOBUYOZXROQZ-IBGZPJMESA-N 439.516 2.463 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1507711414 UTMMQPZYSRBASW-INIZCTEOSA-N 432.908 2.341 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2c(C)nn(C)c2C)CC1 1507732616 QJJIIOINFCVOCB-UHFFFAOYSA-N 437.523 2.150 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507743651 IAKWOKVFISZJCL-SJORKVTESA-N 427.578 2.211 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507957342 GMQIXVGVLAZBNX-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](OC)[C@H](OC)C1 1508073621 OMKKBJCNRRBWSS-OIISXLGYSA-N 445.589 2.284 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC)C(=O)C1 1508102834 AYQRHRYCBNGDCR-IBGZPJMESA-N 425.533 2.454 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCNS(C)(=O)=O 1509244830 SMJNIKVBUXODRM-MOPGFXCFSA-N 430.578 2.159 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(CNC(=O)C(F)(F)F)o3)C2=O)cc1 1515392531 MMGLEEWRHJBAHR-HNNXBMFYSA-N 434.374 2.255 30 10 IEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)c1ccc(F)cc1 1517807363 BHSGPHJFAMWSGQ-CKEIUWERSA-N 438.529 2.011 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccccc1 1526565221 KBQHAIJZHAVFHR-SJORKVTESA-N 430.482 2.100 30 10 IEEE CN(C)C(=O)[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(F)(F)F 1528148648 DZRMTRZCLFCYKB-APPDUMDISA-N 430.814 2.090 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1528683654 VXSSLAXIXQNJHG-OAHLLOKOSA-N 443.305 2.102 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@H](C)c1ccccc1 1539177977 CQJKXPGFZKJFJO-MJGOQNOKSA-N 429.590 2.379 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1539203541 RUEHGOPOABCJGT-NVXWUHKLSA-N 430.530 2.195 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1539210920 HZNCIRYUXVNENK-SFHVURJKSA-N 447.605 2.242 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1539216495 SXLRYTZTPRJSPU-SFHVURJKSA-N 441.557 2.038 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC1(F)F 1539295633 DHWDQTCQPIGNDO-HZPDHXFCSA-N 427.521 2.177 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)c1 1539312204 KMVNQQRXYOBVMJ-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1539361937 JTNLIFGDBMEQAB-UHFFFAOYSA-N 435.532 2.164 30 10 IEEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1539385174 BKILTQUFNDPTTO-INIZCTEOSA-N 427.844 2.460 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1539611933 FJJAKCYJPBUGAQ-AABGKKOBSA-N 430.597 2.462 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1540056302 AUQCHYDZMMMVEK-UHFFFAOYSA-N 434.385 2.283 30 10 IEEE CC(C)CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1541589040 KZCCNZZDHFILPT-WMLDXEAASA-N 432.591 2.110 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)cc(OC)c1OC 1542479232 DNBLMLAXVGFDIG-HUUCEWRRSA-N 437.493 2.323 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1543570399 KRKBJFPLKOCCJI-FNJUQIQDSA-N 435.532 2.273 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1544279477 ISSYWSODHRKSBK-QGZVFWFLSA-N 431.537 2.079 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1554242168 CFBFZLZWPZCUJS-UTKZUKDTSA-N 429.546 2.069 30 10 IEEE CC(C)CN1C[C@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CCN2C1=O 1556472270 GZZPMRSEJZEIPV-LJQANCHMSA-N 432.565 2.241 30 10 IEEE C[C@@H](C(=O)Nc1ccccc1-n1ncc(C#N)c1N)c1ccc(S(=O)(=O)N(C)C)cc1 1556535099 JAUMNPDFXNQTCK-CQSZACIVSA-N 438.513 2.319 30 10 IEEE CC(C)(C)CN(CCC#N)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1559553748 LPVZKVRHNLOIEC-ATVHPVEESA-N 429.546 2.496 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1OC 1565725465 UENOKFZRXBKKBJ-MRXNPFEDSA-N 433.505 2.364 30 10 IEEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1568262967 BNLDZLWICOHYCF-UHFFFAOYSA-N 436.896 2.269 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1 1569240643 JMNZZURSFFFTRH-FQEVSTJZSA-N 428.510 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CCCN(C(N)=O)C1 1570021749 XYDITWSYQPYDJH-APWZRJJASA-N 441.532 2.299 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)c(O)c1 1583958079 XNBUEHNXIYBIBJ-ZFWWWQNUSA-N 441.406 2.257 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN[C@@H](c2cnn(C)c2)C1 1586675145 BOSZVFUDQALNFF-MRXNPFEDSA-N 448.321 2.005 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1587773445 JUHWMIBUMBAGDO-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1587915142 DISFBZFWHBHNHC-IAGOWNOFSA-N 432.546 2.321 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H](O)C1 1588280168 HMOPEDBIWQVUBT-MJGOQNOKSA-N 445.589 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCC=C)CC1 1588908337 PGJLZWRSNLKICJ-UHFFFAOYSA-N 432.528 2.375 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCOC 1589505757 OBAQTFVZWFVDNU-HKUYNNGSSA-N 434.562 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC)[C@@H](C)C1 1595536451 AIQZJHLTMMPTQH-KRWDZBQOSA-N 435.532 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)C1 1595723038 QFDYDQWGZVPQJZ-AZUAARDMSA-N 446.573 2.349 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCOCC2)C1 1595737625 FFUWSKFNOBWIQK-VQIMIIECSA-N 432.594 2.136 30 10 IEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 1595895705 PGLSSXKSOZAHKA-UHFFFAOYSA-N 442.633 2.399 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595896346 XQHDALPUXQPDOG-INIZCTEOSA-N 427.640 2.400 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1598063123 PGXSUWMGTRHSJL-HXUWFJFHSA-N 449.559 2.180 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1614299788 DGAQJWAIZHPQPQ-VQTJNVASSA-N 438.532 2.117 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)C1 1618634420 CJZLYSBKRPZDAN-HXUWFJFHSA-N 444.543 2.288 30 10 IEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)CCOC1 1619052082 CFQUILXYSOEODP-HSZRJFAPSA-N 438.532 2.104 30 10 IEEE CO[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619504382 TYOSBWCXVCHOGE-QBNCKDSPSA-N 442.545 2.072 30 10 IEEE COC[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](F)(C#N)C1)OC 1619595175 DFXBPSBXEVOOAU-KKSFZXQISA-N 425.468 2.439 30 10 IEEE CCn1c(CN2CCc3c(sc(N)c3C#N)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 1620642099 HIPHKIWRCYQWDX-UHFFFAOYSA-N 444.586 2.380 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 1622563286 MRRKPDOKNRIDGY-UHFFFAOYSA-N 449.529 2.041 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccc(C(C)C)n3)CC2)s1 1624649670 YYOPBCIBKFKTQC-UHFFFAOYSA-N 449.602 2.017 30 10 IEEE CC(=O)N[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)c1cccc(Br)c1 1625326684 DPYUEYNXNVGTMN-IBGZPJMESA-N 442.317 2.242 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2noc(C(F)(F)F)n2)C1 1635381256 SZRBLBFYIFUQGM-UHFFFAOYSA-N 430.184 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1636782008 CQXGCAKZCFHFNA-VGOFRKELSA-N 429.521 2.064 30 10 IEEE CN(C)c1cc(F)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] 1639973438 AHSVTIVUXQQFLT-KRWDZBQOSA-N 425.420 2.202 30 10 IEEE CCCN(C(=O)[C@@H](C)N1CCC(Nc2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1644004449 RVABDILAYNBXLX-YLJYHZDGSA-N 432.590 2.249 30 10 IEEE COC(=O)[C@]1(C)C[C@@H](OC)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1644113071 SMNXAOSYWIEGMO-VGSWGCGISA-N 428.489 2.209 30 10 IEEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 1647926586 OPLIPXCJTPMXEB-KRWDZBQOSA-N 442.541 2.115 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)c1 1653130213 IDWLQDFSVUWZNO-FQEVSTJZSA-N 427.478 2.233 30 10 IEEE C[C@](CO)(Cc1ccccc1F)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1654936135 QUNVAURASSHTHD-ISKFKSNPSA-N 442.510 2.257 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 1659142582 OJHQYAOIGJCPEU-GBESFXJTSA-N 433.574 2.158 30 10 IEEE Cc1nsc(N2CCN(Cc3ccc(OCCN4CCOCC4)cc3)CC2)c1C#N 1664882826 HTKZAKWWBBIGRC-UHFFFAOYSA-N 427.574 2.356 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1 1675523664 KFTNVQGHZBNFFT-QUCCMNQESA-N 432.590 2.004 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)c1ccc(Br)cc1 1683681790 VUMWBOGYUOAETB-MAUKXSAKSA-N 435.366 2.365 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689882906 PXCVHCJAZCAQGF-KRWDZBQOSA-N 430.530 2.143 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1689912828 BLLLKLYGYWHEQX-MJGOQNOKSA-N 431.562 2.188 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1689980873 YPWXLNXKCQOGGM-LJQANCHMSA-N 428.558 2.206 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2ccnc2C)nc1 1689998780 WNIJQTPJYVEYCC-UHFFFAOYSA-N 444.543 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC[S@@](=O)CC 1690035849 LUYORJWRBHAPBG-SANMLTNESA-N 436.379 2.278 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(CCC)C1 1690053547 DBGNDSUMZPOLHT-IBGZPJMESA-N 438.601 2.464 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1690133525 KLKTUMISADGJHF-DVECYGJZSA-N 439.560 2.172 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1690204700 QJVFIAPSVSGWLC-BFUOFWGJSA-N 448.453 2.142 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690627743 XCHIFWCYBBFHNN-QKKBWIMNSA-N 425.493 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1690666278 YTDYVCOYSFXDHD-UHFFFAOYSA-N 441.532 2.414 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1695289735 BNLCSZWQDUSVFU-GBXCKJPGSA-N 437.592 2.051 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705564792 QESXTUINYSOQLP-PNLZDCPESA-N 446.548 2.262 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1705570026 JSZNDJSKAGNIQI-RBUKOAKNSA-N 448.564 2.450 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCC1 1705607055 ORRSLWUQRXAFCN-UHFFFAOYSA-N 444.605 2.141 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705666563 VUCRLCMEEPEHBQ-QGZVFWFLSA-N 443.573 2.289 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705719796 LJZTXDUNFOPOEV-JOCHJYFZSA-N 448.589 2.426 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)CC1 1705781519 BKPQHWSLHZRNRD-QGZVFWFLSA-N 443.639 2.155 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(C)C)N1CCOCC1 1705837073 OWUPTQXPBQPDRN-HXUWFJFHSA-N 447.605 2.328 30 10 IEEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 1705909444 XMTDJVFACGSCSH-UHFFFAOYSA-N 444.540 2.172 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)n1 1707832438 BYVNSFOYYNUORY-QKNQBKEWSA-N 427.553 2.320 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1NC(=O)CC1(C)C 1711999982 GSGZPKJXPFMTQX-YJBOKZPZSA-N 426.521 2.376 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(C)(C)C)nc1 1712567149 SFWZZIKNNJORKA-SJLPKXTDSA-N 444.536 2.351 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1NC(=O)CC1(C)C 1722277236 HYYVNAQAXSLVFR-WFASDCNBSA-N 433.354 2.419 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)C(C)C)c1 1722308700 DLTOEDOSNSPFPR-WZONZLPQSA-N 425.533 2.245 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCNc1nccc(C(F)(F)F)n1 1722425188 PWSKHHKGANYNTO-UHFFFAOYSA-N 434.426 2.280 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(COC)CCC2)CC1 1722448985 JZOSUUTUOKRHRY-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722611432 JUTLWXAODSZVFY-GOSISDBHSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722699864 NXNSVVAXWFAXIQ-UHFFFAOYSA-N 430.597 2.444 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C(N)=O)CCOCC2)C1 1722716455 VHSPLVBFEQOESG-IBGZPJMESA-N 441.532 2.017 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1722719560 VXYUTCOKGMCKDG-LOFNWHPJSA-N 430.574 2.490 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N(C)C)CCOCC2)CCOC1 1722864544 TUQLVDNVGVWPIX-PGRDOPGGSA-N 434.585 2.025 30 10 IEEE CC1(C#N)CCN(c2nnc(CCc3ccccc3)n2CCOCCS(C)(=O)=O)CC1 1724010521 PUFVPBDKRMHBJT-UHFFFAOYSA-N 445.589 2.255 30 10 IEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)s1 1727438991 BMQLKXHJUOLONR-UHFFFAOYSA-N 442.570 2.365 30 10 IEEE COCCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1730612858 ABBNWWMYDQDWDY-KXBFYZLASA-N 426.587 2.081 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740587324 GHCVDRUQKPEIMN-SFHVURJKSA-N 431.562 2.092 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C 1740612865 LDPWIBQFUCWOQY-FCHUYYIVSA-N 436.604 2.385 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622356 XYDJYVMTBMBQPG-QGZVFWFLSA-N 431.562 2.249 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(n2)CCCC3)CC1 1740690629 KUWYSLUSZATUAL-LJQANCHMSA-N 438.576 2.079 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)CC1 1740697095 RFWZPWZURASGLG-UHFFFAOYSA-N 428.968 2.192 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2c(CC)nn(C)c2CC)CC1 1740706247 RCCGZOIFISRALJ-UHFFFAOYSA-N 437.592 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1740706637 YMIYDGYVHGPKAU-GOSISDBHSA-N 444.580 2.425 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1740719780 KVDMNKYTRNXRLI-UHFFFAOYSA-N 443.621 2.247 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1740948649 UWRWMVRLICEASE-UHFFFAOYSA-N 426.496 2.078 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1745202851 FPTZXLJALPZDPL-KRWDZBQOSA-N 429.569 2.083 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748684479 KHTSIALSKXYCHG-QZTJIDSGSA-N 431.562 2.047 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1748815518 RBPDMYFFBHDVGK-ZACQAIPSSA-N 449.602 2.407 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1748895129 PZYKINMZVOHVKJ-UHFFFAOYSA-N 436.579 2.497 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)N(C)C 1748949735 ALFONVFZZIPATA-KRWDZBQOSA-N 435.370 2.462 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ncccc2N(C)C)CC1 1748979823 OHQQPUKSQDBSKM-UHFFFAOYSA-N 446.515 2.118 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749118610 HHRHRZLDGXPFBD-QZTJIDSGSA-N 425.599 2.148 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749276107 DMRWGOXKQRQPNK-IBGZPJMESA-N 449.968 2.201 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOCC(F)F)C1 1750380512 SNQLSYDHWYJCLH-IBGZPJMESA-N 447.425 2.035 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1760264350 JNCVWIOGNDCQDS-UHFFFAOYSA-N 444.543 2.079 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C)CCOCC2)CC1 1760269515 KKFQHCNRENWDBW-LJQANCHMSA-N 429.565 2.302 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N(C)C 1760331086 PERXTWNUYOGWAM-UHFFFAOYSA-N 448.593 2.076 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)CC1 1760336011 UBDVZPLVIJBMBV-FPOVZHCZSA-N 426.565 2.398 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2ccccc2)CC1 1760452660 PZIJNHDFTTZPTG-UHFFFAOYSA-N 439.560 2.481 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760519800 PWZGALGEQWHVIF-IRXDYDNUSA-N 441.532 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760520438 NDXDNCBQZNULOR-QGZVFWFLSA-N 425.533 2.387 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1760806260 QGZMLUGACHCOSE-HKBQPEDESA-N 440.573 2.175 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1761360372 LANAGCTXWBBSPQ-ZBFHGGJFSA-N 438.458 2.127 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(C)Cc2ccccc2C1 1761462781 AGZNWHFFSRHTHS-HZPDHXFCSA-N 430.578 2.432 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C2CC2)cc1OC 1767548153 CDWOIMSVZRKEPH-HTAPYJJXSA-N 427.505 2.242 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1768980406 DDPPAQHCINCXPQ-RKXCMPKHSA-N 447.561 2.142 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC1 1768996988 AMLARKGHAPRVLP-INIZCTEOSA-N 448.369 2.261 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C[C@@H]1O 1770626469 IXFMLBPYEKVODW-BVZALQNUSA-N 437.500 2.437 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)c1ccco1 1771292359 KDELZOJZLJBGND-WMZOPIPTSA-N 442.520 2.155 30 10 IEEE CCCN(C(=O)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852431623 DIFITMUKHCTLBX-GOSISDBHSA-N 425.533 2.150 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)CN1C(=O)c1ccc(F)cc1 1852613433 DNRPEZNZASYIBK-SJKOYZFVSA-N 443.866 2.244 30 10 IEEE CN(C)C=NC(=S)N(C(=O)CN1CCCS1(=O)=O)c1cc(Cl)cc(Cl)c1 1853217030 XPSSQFNXJGBYKI-UHFFFAOYSA-N 437.374 2.237 30 10 IEEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@@H]1C 1854255583 DTGWVILPVUUHGE-YJBOKZPZSA-N 439.965 2.129 30 10 IEEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)c4ncc(Cl)cn4)C3=O)CC2)cc1 1855456977 DJQGUJSPMWHVDE-GOSISDBHSA-N 425.876 2.286 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3cc(O)nc(O)n3)sc2c1 1865981672 JTBDDFRIUUGKQU-UHFFFAOYSA-N 447.498 2.113 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCN(CC)CC1 1870651808 KRIJVDWOTLPRNM-UHFFFAOYSA-N 440.544 2.198 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874340074 ASZKJQLAZGKCSF-BFTVFPACSA-N 447.561 2.376 30 10 IEEE COc1ccc(Br)cc1S(=O)(=O)N1CC(COc2cccnc2C#N)C1 1891630191 LJJYSUMPAKKAPH-UHFFFAOYSA-N 438.303 2.424 30 10 IEEE C=CC1(NC(=O)[C@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993322179 JAXHZGZJKKTYMH-LSDHHAIUSA-N 425.526 2.039 30 10 IEEE CC1(C)OB(C2=CCCN(S(=O)(=O)N3CC(OCc4ccccc4)C3)C2)OC1(C)C 1998755491 KMISVCGUQTUOKS-UHFFFAOYSA-N 434.367 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H](O)[C@@H](N)C#Cc1ccccc1Br 2227477438 QOIGMIYMPPDMGW-GVDBMIGSSA-N 425.323 2.125 30 10 IEEE C[C@@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243393444 SGBJLJRZIDABLI-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE Cc1nc(C(=O)NOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247836558 DNKYWHOEWQWHFD-UHFFFAOYSA-N 441.359 2.327 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815993 XJOPSTIHGYVFPB-UONOGXRCSA-N 436.362 2.234 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256620276 GSNHFJDGBXHQPL-WBMJQRKESA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256626402 JSWORDKLGVCAPL-VKIFBMEASA-N 436.358 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2259354265 AVUZXYUTALRXKR-RHSMWYFYSA-N 431.342 2.414 30 10 IEEE Cn1nc(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2267130179 LGBOJDQIYOROAU-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130906 UTSZHTNKUWGCMM-IBGZPJMESA-N 438.381 2.361 30 10 IEEE CC1(C)OB(c2c(F)cccc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2267404634 DROGPFWNPNKKOA-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267482958 LHJMSMNDGJMIBJ-KGLIPLIRSA-N 449.332 2.411 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267537650 JIOUVIQZFFWFKQ-OAHLLOKOSA-N 448.373 2.189 30 10 IEEE C#CCCN(CC(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286018234 NWKZUFNMRCBVHS-SFHVURJKSA-N 438.546 2.156 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2310286406 TZGAMLSSUONISK-MHTWAQMVSA-N 440.544 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2312855108 YHFFIAMDDDCWHW-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2312860714 QACBFCMORCOPFK-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE COc1[nH]c(=NC[C@H]2C=CCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317502616 CVIRLRVTRDIJOU-OAHLLOKOSA-N 431.342 2.399 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)cc1O 2331310718 ARPINFUPSMISOF-UHFFFAOYSA-N 441.513 2.169 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc1 20291971 UGAJIGLZUMRZHR-KEBDBYFISA-N 442.461 2.086 30 10 IEEE C#CCOCC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 49447369 WZAJHDPDQYKXEC-HNNXBMFYSA-N 430.979 2.443 30 10 IEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(CCC#N)C2)cc1 62040732 DYESBKTWBNWDKO-INIZCTEOSA-N 435.550 2.243 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)c(OC)c1 102752689 XJIBWJJCYQBYAE-GOBJLOIFSA-N 442.468 2.051 30 10 IEEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 109880666 OUNRKDTZVNGNEK-KRWDZBQOSA-N 428.510 2.311 30 10 IEEE C[C@@H](C[C@@](C)(N)C#N)n1cnc(I)c1I 379775088 ATUPNLOLWUJOBW-IMTBSYHQSA-N 430.031 2.284 30 10 IEEE CC1(C)OB(c2ccccc2Cn2cncc(I)c2=O)OC1(C)C 380774700 USDYZYYVBVQAEJ-UHFFFAOYSA-N 438.074 2.195 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 435173538 MSKUUVFOZGAKAT-MRXNPFEDSA-N 430.496 2.368 30 10 IEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460773610 VNBRODOBTFXZIO-UHFFFAOYSA-N 447.605 2.414 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cn1 461749602 VHIUEMZZRHXNHF-MSOLQXFVSA-N 436.472 2.059 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 473933436 RODZLHQKVRHYRS-QGZVFWFLSA-N 425.445 2.343 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(F)cc(Br)c1 480572372 CYCMSZXOBSJGSG-LLVKDONJSA-N 440.294 2.443 30 10 IEEE C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(S(=O)(=O)N(C)C)c1 481061352 QYUWZUIAVBFMFE-CYBMUJFWSA-N 425.507 2.128 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 491649703 PJMLOKDUGLHSBN-UHFFFAOYSA-N 426.420 2.405 30 10 IEEE N#Cc1ccc(OC2CCN(c3ncc(Br)cc3S(N)(=O)=O)CC2)cc1 504061335 QTBFTTFVUYFRDJ-UHFFFAOYSA-N 437.319 2.411 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 505752137 CDUULKMDXQXCSA-HXUWFJFHSA-N 437.518 2.377 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508493766 ZNEFBFIPZWMJFT-KRWDZBQOSA-N 433.560 2.412 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 508914850 VDKXZWGRSUUVPL-INIZCTEOSA-N 443.932 2.226 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)ccc1F 511346361 UDUGNEJWGSGBLE-FQEVSTJZSA-N 428.533 2.278 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1Cc1ccccc1 517556475 PDNIQPFYZSKGEC-UHFFFAOYSA-N 433.508 2.211 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CC1 522319174 LXCRLZZKTOCWFT-UHFFFAOYSA-N 427.480 2.142 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)Cc2ccc(C(=O)OC)o2)nc1C 526895820 CGSSUPGYGKXWBK-NDEPHWFRSA-N 426.472 2.061 30 10 IEEE CN1CCN(C(=O)CC2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)CC1 533377655 XVDCEMZLIMEMSS-UHFFFAOYSA-N 429.590 2.117 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 536458333 FYARGFMYSKJMPZ-UHFFFAOYSA-N 442.950 2.329 30 10 IEEE CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549043121 LWAHBSLFPGLDSP-UHFFFAOYSA-N 447.524 2.219 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 549652568 KBJGPUOVUVVHMB-VQTJNVASSA-N 445.589 2.256 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C2CC2)CC1 549657864 LVWIBJJIJJJAPQ-UHFFFAOYSA-N 429.594 2.407 30 10 IEEE C=CCn1c(Cc2noc(-c3csc(C(F)(F)F)n3)n2)nnc1N1CCOCC1 573724958 XLAXXDRPMQQQAN-UHFFFAOYSA-N 427.412 2.417 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)ccc1F 591685613 HJSRLAUMVGMEHQ-KRWDZBQOSA-N 426.513 2.409 30 10 IEEE COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(c3ncccc3C#N)CC2)c1 619510194 AEKLOLFYQFVXEA-NRFANRHFSA-N 435.528 2.456 30 10 IEEE CN(Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1)C(=O)C(F)(F)F 729884917 RMOQCXKMOVNVNN-UHFFFAOYSA-N 436.365 2.473 30 10 IEEE COC(=O)C1=C(C(C)=O)[C@H](c2cnn3ccccc23)NC(=O)N1Cc1ccc(C(=O)O)cc1 731433276 QTKGNAQLHYIHDZ-IBGZPJMESA-N 448.435 2.315 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C\c3ccnc4ccccc34)CC2)o1 735554490 QCWXINRDRYFZME-SREVYHEPSA-N 431.452 2.308 30 10 IEEE COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cn(C)nn2)NC(=O)N1CC1CC1 741652686 HYUDKHZCGIDJIX-INIZCTEOSA-N 429.864 2.255 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 770890193 QTCCQVKISBNIFY-CQSZACIVSA-N 448.501 2.319 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(C)C)c2=O)s1 772897472 HVZGRSNKANJGIV-UHFFFAOYSA-N 444.626 2.346 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCS(=O)(=O)C1 774207813 AYKDFSNRFNSEHD-MSOLQXFVSA-N 441.956 2.275 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)c1OC 780023260 JOLLXDNKEJYHKE-MBSDFSHPSA-N 439.468 2.470 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC=C(C)C)cn1 790713496 CJVQRYWJOAKDGL-KRWDZBQOSA-N 433.578 2.446 30 10 IEEE COc1nc(Br)ccc1NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 800640980 BWZWFYHGGHQPDX-UHFFFAOYSA-N 444.289 2.270 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C#N 804089956 NXTBXJGFWZAUFJ-IAGOWNOFSA-N 430.505 2.135 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 812186727 ZIPFSCKMEQLKDB-IAGOWNOFSA-N 448.568 2.125 30 10 IEEE C#C[C@@H](c1ccc(F)cc1)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 812221169 GTUUEGJFFZPVMX-ROUUACIJSA-N 438.484 2.367 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C=C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 816415016 JROHBIGIPIALCL-UHFFFAOYSA-N 428.537 2.206 30 10 IEEE C[C@@H](OC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 919405562 IBZSHKLOPOBIDC-GFCCVEGCSA-N 429.473 2.477 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c1=O 921169274 RJUDKMXHDAHNGO-SFHVURJKSA-N 448.523 2.454 30 10 IEEE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCO[C@](C)(C#N)C1 1134490724 YBBKFVVQYVEQHO-JOCHJYFZSA-N 441.509 2.201 30 10 IEEE C=C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1148559425 JEVCLIWIPFIHGH-QMTHXVAHSA-N 427.375 2.057 30 10 IEEE C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1150671562 HNBMRENGCJHCNZ-RDTXWAMCSA-N 435.546 2.332 30 10 IEEE CCOC(=O)c1ccc(NCCNC(=O)COc2ccc(C#N)c(Br)c2)nc1 1159342179 LEOSCLOEIXWUAE-UHFFFAOYSA-N 447.289 2.500 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H](N2CCOC2=O)C1 1165507631 GMGHLFUMKFSLHP-HKUYNNGSSA-N 440.500 2.446 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)C1 1171219893 RNHUVLGTGFTVLZ-CYFREDJKSA-N 439.560 2.186 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ccc(C#N)cc3F)CC1)CCO2 1248651644 PTOFNNVMBSYVPM-PSCUFVCCSA-N 430.480 2.030 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Cl)cn1 1286423809 WQNYDCUVHLTPGQ-NRFANRHFSA-N 430.940 2.332 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286442709 KAONRHTYIYABME-ICSRJNTNSA-N 442.589 2.312 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1286450779 KULHPDMMHHKITJ-GHVJWSGMSA-N 448.527 2.460 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1286607878 KXIMBOPTXIVURG-WOJBJXKFSA-N 432.613 2.250 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1)C1CC1 1286731891 XKWIVZJAQNHFSG-KRWDZBQOSA-N 438.523 2.025 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1286784833 VICQBUCUBUJMMJ-UHFFFAOYSA-N 435.532 2.174 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1286788112 QHZJQHROUOQVGI-NQIIRXRSSA-N 443.523 2.173 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cncn2)C1 1286803345 GQBRGYBWGIFJJH-CQSZACIVSA-N 433.314 2.109 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1286803631 FITKETBJRPSKEV-LEWJYISDSA-N 441.624 2.339 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCC2(CCOCC2)C1 1286823355 VCGXSMSGXIXXBZ-UHFFFAOYSA-N 445.589 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)Cc2ccc(C(=O)NC)cc2)nnc1C(C)(C)C 1286825909 ZPCRJZAQGPBKSN-UHFFFAOYSA-N 433.578 2.172 30 10 IEEE Cc1cccnc1OC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1297369399 FIOGYDMPNUAKBQ-UHFFFAOYSA-N 442.541 2.279 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 1300282311 HCBHDPXQWULJGS-SJORKVTESA-N 438.557 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1300541483 VYNMTEPGYMRQGZ-UHFFFAOYSA-N 440.433 2.258 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1300655092 OITCWUWOGRWGDR-KRWDZBQOSA-N 439.541 2.014 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1300741419 WIKGPGPZJOHMQH-NTLWEQJWSA-N 438.594 2.141 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1300805838 JMYAZIYMMJGRGV-FOIQADDNSA-N 449.964 2.300 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1300960744 JIERFIKTVHPZKR-UHFFFAOYSA-N 425.493 2.211 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1301239833 VGLJLVIJBMJSRH-UFYCRDLUSA-N 430.597 2.320 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1)C1CC1 1301315975 GGDIXPGTOCMNSO-JOCHJYFZSA-N 430.505 2.277 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301609875 PWQSIKOUJHQVHP-HOTGVXAUSA-N 434.610 2.280 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1302171700 BLXFEVSOBRZFED-HKBQPEDESA-N 443.573 2.360 30 10 IEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CCC1 1313979371 CTDBLVIPGDXAHV-QGZVFWFLSA-N 438.532 2.260 30 10 IEEE CCNC(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CCC1 1313980043 BBTPVHNXTXRHNM-GOSISDBHSA-N 435.532 2.044 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@H]2C)cc1OC 1315378395 GZCULVWGAFQWPH-IAGOWNOFSA-N 428.537 2.421 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1315739191 AWELORQHCMYKIS-RVKKMQEKSA-N 437.504 2.241 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2coc3c2C(=O)NCCC3)c1 1354286175 PGIXVKRPJCFRIF-QJOMJCCJSA-N 430.486 2.021 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1358903916 NQOSJEKIAFXZEM-UHFFFAOYSA-N 429.594 2.307 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1358929812 IHULDXSISZSTFV-MJGOQNOKSA-N 447.561 2.267 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1358989658 KXAQPMUSTOPKCU-IBGZPJMESA-N 437.544 2.146 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1359014701 TTYGQXRSTVHDOD-NLWGTHIKSA-N 431.581 2.151 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359054627 BMHYMDKIBNTJMW-KRWDZBQOSA-N 427.578 2.234 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1359125574 KFBRKHDEXUIKKI-MSOLQXFVSA-N 448.568 2.268 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H](OC)C(F)(F)F)CC1 1359173584 JEZLPKJANZNJIH-JSGCOSHPSA-N 439.504 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCc2ccccc21 1359335027 XXANSEGZTLUXNV-IBGZPJMESA-N 443.573 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1359335495 MYUPOJGTDLDITP-KRWDZBQOSA-N 448.545 2.486 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccnc(OCC4CC4)c3)C2=O)cc1 1360011908 MEGUPJGOILACTQ-LJQANCHMSA-N 433.468 2.263 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCc2nc(C#N)cs2)c1 1439711690 TZYPDUVOXPIDBL-UHFFFAOYSA-N 433.559 2.185 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)Cc1ccc(O)cc1 1443467031 UYTVHGARNLDSJX-AEFFLSMTSA-N 433.505 2.427 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccccc3OC)C2)s1 1446066190 BNIQEFXVJRMMSQ-HNNXBMFYSA-N 435.571 2.159 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)c1 1447792559 JYPKPAMZDWJSQA-UHFFFAOYSA-N 435.408 2.335 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)c1 1448077603 NIXVHJUSDOSXFM-UHFFFAOYSA-N 426.494 2.271 30 10 IEEE COc1c(F)cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c1F 1449835747 BJZYZIFFNOXSGL-JTQLQIEISA-N 425.413 2.159 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1450329275 QHOUYORPCBYDJS-HNNXBMFYSA-N 429.336 2.254 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4CC(=O)N(CC(F)(F)F)C4)CC3)n[nH]2)cc1 1452950636 GFTZXMPHBNLWSX-INIZCTEOSA-N 446.433 2.008 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)nc1 1453770866 IDEWCDKYLNGVAV-UHFFFAOYSA-N 446.554 2.055 30 10 IEEE COC(=O)[C@]1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC[C@H](C)CC1 1460383752 AIGCCISYLZAEHX-NYDSKATKSA-N 430.524 2.246 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1461242833 FOZBHBUJHLNOLD-UHFFFAOYSA-N 440.569 2.044 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 1464512641 KDRQHZYELDMAJY-HNNXBMFYSA-N 425.480 2.229 30 10 IEEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)nn1 1466348817 OMDJBIHCTZSSCG-UHFFFAOYSA-N 429.458 2.231 30 10 IEEE C=CCOCCCNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1470825767 OKEGZALITLYFFD-UHFFFAOYSA-N 432.546 2.234 30 10 IEEE CSc1nc(O)c(C(=O)N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1472466529 JGFHVVVLOCHFGB-HXUWFJFHSA-N 434.518 2.233 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C(C)(C)C)n1 1492745099 GYQKCABYLQSTMW-UHFFFAOYSA-N 426.569 2.432 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1504930381 GODQYSCMJNKFSC-SJLPKXTDSA-N 449.515 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1507544645 ZNPOOYSFCIWALL-IFXJQAMLSA-N 435.322 2.229 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@]1(OCC)CCOC1 1507600239 XIQJKOXJQZEWAX-QFIPXVFZSA-N 444.605 2.431 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1507679196 IICOUVSURNXIFI-INIZCTEOSA-N 448.568 2.135 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCOC)cc2)CC1 1507731841 QOFHFJFVCXASGT-OAQYLSRUSA-N 439.560 2.001 30 10 IEEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507946658 UVXLKWQPNHZBDY-FQEVSTJZSA-N 427.597 2.471 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC(=O)N(C)C)CCOC1 1509792784 DZPMBBRODWJEIH-HSZRJFAPSA-N 440.548 2.305 30 10 IEEE CCc1nc(CCn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)no1 1513739827 MWBNXGZXJPSBQV-OAQYLSRUSA-N 429.525 2.247 30 10 IEEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1519355330 UGTDYMAJPWZINP-UTKZUKDTSA-N 448.527 2.492 30 10 IEEE Cc1ccc(-c2noc(CCC(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)n2)cc1F 1525459156 GRRNGXYFWHKJQO-UHFFFAOYSA-N 425.424 2.187 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2ccn(CC(F)(F)F)n2)cc1 1525819629 SDOUTRPRSFVCAL-LFVJCYFKSA-N 443.451 2.439 30 10 IEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C(=O)OC 1535098527 SMVNUNUVQHKNBJ-LJQANCHMSA-N 438.546 2.110 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1538031250 DKEVQOIQJBMQRA-ACJLOTCBSA-N 434.459 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)CCC(C)C)CC1 1539490575 XRYOBBLDNUBUOO-AUSIDOKSSA-N 431.581 2.283 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1540872572 SYRCXELOGCVQBN-LIRRHRJNSA-N 431.487 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1540903680 GVCIZCAXBGRGJL-VQIMIIECSA-N 436.553 2.470 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1548321896 DUIOKHBPCBSIMO-ROUUACIJSA-N 429.546 2.398 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCSc2ccccc2)CCO1 1555992573 VNWIGXXRRJUEEP-QGZVFWFLSA-N 426.546 2.425 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 1556710817 SUUKAFWNHIKBIP-ZHRRBRCNSA-N 441.553 2.337 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1568155007 XHCMAQTVLAAMCL-WZONZLPQSA-N 432.517 2.426 30 10 IEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OCC 1583527444 XTXMVGUJSOLHSZ-QGZVFWFLSA-N 426.510 2.241 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H](Cc2ccncc2)C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1585854012 JFQNKZQSWUAYAR-MBSDFSHPSA-N 429.517 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(C)C)c1 1587561706 HGGYTXMHCDYWJX-DLBZAZTESA-N 433.578 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C(C)C 1587614603 LFOAUVCQOONVIL-QGZVFWFLSA-N 431.610 2.426 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1587857276 XSTNJFIOJYZTKN-KRWDZBQOSA-N 438.532 2.127 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1588045582 MZJDFPHSDNZHAX-KRWDZBQOSA-N 446.573 2.132 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588054787 PSJJAYBXGKDZIM-VQTJNVASSA-N 433.622 2.437 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(NC(C)=O)c2)CC1 1588848600 JFTKPQFYMMBTCJ-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1588923953 RONMRARIZJYQFJ-IBGZPJMESA-N 444.580 2.282 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1589069067 IIDUHMQFAQPGMX-GOSISDBHSA-N 443.548 2.250 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1593883982 AAQIFABMZRVSIP-RXAIFQJESA-N 442.994 2.307 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1593886208 RHMSKLULZZEQQS-AWEZNQCLSA-N 425.898 2.477 30 10 IEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594766970 KFNFJAOQOAPPPH-INIZCTEOSA-N 437.541 2.433 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1595460986 KHQMBESDHFWIOR-GVDBMIGSSA-N 425.599 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](OCCOC)C1 1595506673 IVOPLSRTXMGYOV-OAHLLOKOSA-N 437.903 2.282 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1595790725 QFGKPSYVCSURRG-INIZCTEOSA-N 442.497 2.223 30 10 IEEE Cc1cn2nnc(C(=O)N3C[C@@H]4[C@@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)c2c(O)n1 1598482361 CAZQXDNCZWRWMV-RNFRBKRXSA-N 445.270 2.381 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1608103645 FNAFGZHXQOPEPX-INIZCTEOSA-N 430.364 2.151 30 10 IEEE CC[C@@]1(C)CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1613711127 DOWRJBYDQPSDSH-GNDBUYPCSA-N 428.537 2.467 30 10 IEEE C=CCn1ncc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)cc21 1615749257 NFWQVVCUCDCRBS-UHFFFAOYSA-N 442.545 2.304 30 10 IEEE CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1616337487 ZDBLRSVAYWMODD-VBKZILBWSA-N 437.949 2.013 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)cc1OC 1616350152 GJOHXIFTAYDYKN-QFIPXVFZSA-N 442.495 2.321 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616841014 WPUFLQSZWBMBPE-PHODEOQFSA-N 442.442 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@@H](CNC(N)=O)C1 1625715710 PPAXPHSWRPDPCO-LPHOPBHVSA-N 441.532 2.299 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1625716018 ZYCMZEBGSARWKO-UHFFFAOYSA-N 441.394 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 1627265155 LMEVYCHYYLLGTL-ISLYRVAYSA-N 432.521 2.056 30 10 IEEE C=CC1(CC(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)CN(C(=O)OC(C)(C)C)C1 1630578641 XJHXSLARBBTZEZ-UHFFFAOYSA-N 436.534 2.004 30 10 IEEE C[C@@]1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 1634260298 YRPMEUHJXOZTST-URXFXBBRSA-N 434.496 2.343 30 10 IEEE COc1cc(OC)cc(N2C[C@@H](C(=O)Nc3ccccc3-n3ncc(C#N)c3N)CC2=O)c1 1636172666 GYOOPJKQUMBRGL-AWEZNQCLSA-N 446.467 2.335 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 1640849537 IWIWANZQELIUEB-CABCVRRESA-N 447.582 2.237 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1644628846 PSRRFQOUMCLAKT-HXUWFJFHSA-N 440.588 2.358 30 10 IEEE C=CCCSCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1644664220 JIGRZWFLGJDJIO-HKUYNNGSSA-N 426.604 2.359 30 10 IEEE C#CCN1CCN(C(=O)CN2CC3(CCOCC3)c3ccc(Br)cc32)CC1 1647953109 VQEORXSXQMKVDH-UHFFFAOYSA-N 432.362 2.095 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N3CCC(C(=O)OCC)(S(C)(=O)=O)CC3)cc21 1664933647 SJDHGPSJOIUJJR-UHFFFAOYSA-N 434.518 2.197 30 10 IEEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)nn1 1667679293 UYBHJEJYPFHDLH-CLCOLTQESA-N 445.549 2.379 30 10 IEEE Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(S(C)(=O)=O)c1 1669939480 CGPKOULNDFSLEB-GOSISDBHSA-N 426.498 2.193 30 10 IEEE N#C[C@]12CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1681994729 GTIPCHUAMUBNKE-XAYKYTGQSA-N 443.356 2.152 30 10 IEEE Cc1cc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)n1-c1ccccc1 1684444934 UPUVTGUGXYHSLB-UHFFFAOYSA-N 432.484 2.037 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1689849338 KLCMICKVAJHWOK-ZBFHGGJFSA-N 437.591 2.326 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1689873249 BYRMBECUVQCLRU-UHFFFAOYSA-N 426.496 2.212 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@@](C)=O)CC1 1690034481 JIKUEBVKTGCPNE-HHHXNRCGSA-N 448.390 2.420 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCCC1 1690102322 IGSIVVXSQHKDIG-ROUUACIJSA-N 442.589 2.214 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(NC(=O)N(C)C)cc1 1690105095 SPMNINIEAVQEMM-UHFFFAOYSA-N 447.543 2.492 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1690154717 XHYQMPONKACKIE-UHFFFAOYSA-N 429.546 2.190 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690156008 RCPOZYSKEBKIDM-CVEARBPZSA-N 443.639 2.039 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CC1(C(N)=O)CCOCC1 1690608056 ZPUIDGNKAJCSPB-UHFFFAOYSA-N 438.532 2.394 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)OC(C)(C)C1 1690665961 VBOXMVBCYMRJEN-OAHLLOKOSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](COCc2ccccc2)C1 1690678324 SGONZCFIUAHJKU-VQTJNVASSA-N 425.533 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(Cl)ccn1 1690723969 FIHIXCHHGFENRZ-CQSZACIVSA-N 425.942 2.068 30 10 IEEE CCN(CC)C(=O)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1695584270 CJVTUMZXBKRABI-FQEVSTJZSA-N 449.559 2.499 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](c1ccco1)N(C)C 1696298436 HALUVFNJYXQKFG-GOSISDBHSA-N 437.504 2.245 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1698324233 BLONXHZJLGLGRA-UHFFFAOYSA-N 428.562 2.253 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2c(C)noc2C)c1 1705506770 HZSWMOITRJURSZ-GOSISDBHSA-N 434.500 2.491 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1705583030 PAKOIKIUKNAPEF-IBGZPJMESA-N 449.536 2.265 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)c1 1705595160 INRALWCRLHUKGW-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1ccc(F)c(F)c1F 1705630369 QTDWIIXFCAMJMB-UHFFFAOYSA-N 435.450 2.147 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705768820 BARNODFSBZQISV-IBGZPJMESA-N 443.573 2.135 30 10 IEEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)C1 1705826394 UJVUKOABAMEKJG-UHFFFAOYSA-N 438.301 2.376 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C1CCCCC1 1705898641 RZPMXTPGHPJFSJ-UHFFFAOYSA-N 435.536 2.382 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1706058007 UYJYFXFNYDAZLP-NRFANRHFSA-N 447.547 2.393 30 10 IEEE CC(C)OCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706699677 UUTZLBAPRJZSIQ-QGZVFWFLSA-N 435.536 2.465 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1708605932 YUQCBBYJNXYOSQ-SFHVURJKSA-N 448.579 2.002 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@@H]1C 1710285866 HABULHRUPTXGAU-FDDCHVKYSA-N 440.548 2.065 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2c2cnn(C)c2)CCOC1 1710418497 XZGFZSFSGOKCJC-JBYIUTFZSA-N 442.568 2.071 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(C)cc1 1712647552 CFAKFDPEBVJRDO-SXLOBPIMSA-N 427.505 2.118 30 10 IEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC2)CC1 1712886752 DXMXHPKPEHNNEB-UHFFFAOYSA-N 427.578 2.495 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1722510199 RWDCWGLMYNWIFW-MHORFTMASA-N 438.594 2.165 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722558795 YXMIHPYUPGGWJD-YJBOKZPZSA-N 432.974 2.085 30 10 IEEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722562332 VPUNWLJALZJJRK-UHFFFAOYSA-N 432.546 2.050 30 10 IEEE Cc1c(CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1724114275 HGKXGJHUYUOUFE-XUTLUUPISA-N 438.536 2.140 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC[C@@H]1C 1730390175 ONRJYWFVYJYPSN-YWZLYKJASA-N 431.500 2.220 30 10 IEEE COCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1730811340 OHQGGWQSQCKJJM-LJQANCHMSA-N 442.520 2.012 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740627379 PRMIEMAIYRROJE-MJGOQNOKSA-N 430.574 2.355 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1Cc1ncn(C)n1 1740679459 ZRNXYDPQHMRTEZ-UHFFFAOYSA-N 433.495 2.095 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740862430 SLKRDVBKQROJCT-KRWDZBQOSA-N 440.552 2.019 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1740954006 YZDYDZQREKZLKO-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE CC(C)(C)[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741178287 INNOWRDGDMYBQV-SJTPKYKMSA-N 428.537 2.181 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1741284451 HNGNMCJCTPIHFZ-FQEVSTJZSA-N 429.456 2.458 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1747944930 SDGRCNDTFONTRU-GOSISDBHSA-N 447.561 2.026 30 10 IEEE CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C 1748066856 CHZWVRMVAQVCHX-XXBNENTESA-N 429.613 2.328 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1748789721 AUYMGRZRIOOFKC-QGZVFWFLSA-N 425.514 2.261 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748816069 WMNLJCZUMWSDIQ-GOSISDBHSA-N 443.573 2.092 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1csc(CC)n1 1748836492 XLKJNAQYPBZWNI-UHFFFAOYSA-N 443.540 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1CC1(C(N)=O)CCOCC1 1748902968 NZAMPQSINGFOTA-UHFFFAOYSA-N 449.555 2.165 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1([S@@](C)=O)CC1 1748944229 QAEDXUGSPAVZGT-SSEXGKCCSA-N 426.521 2.369 30 10 IEEE C=C(Cl)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1749281524 FUYHYLGVIQHPOV-IIDMSEBBSA-N 434.990 2.329 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1749424854 PXPJHTZURNKGST-MRXNPFEDSA-N 437.548 2.459 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749457822 RCHGQVBUQVVGAV-JOCHJYFZSA-N 432.569 2.274 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749606215 QRHYYAPORVKXKE-APWZRJJASA-N 428.562 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1749735792 XLBJWCVMYMJXPC-NRFANRHFSA-N 436.553 2.314 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)c1cccs1 1750118365 QLKKRAUVZSIGEL-VYDXJSESSA-N 432.550 2.089 30 10 IEEE CSCC[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750304941 VIXPHXXUKJHAMO-XSAFGROZSA-N 448.593 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1760099910 NWRACGYAXLRVHH-YADARESESA-N 439.560 2.273 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760153017 FQOVBDYNBWCUSK-GOSISDBHSA-N 436.564 2.191 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1cccc(CS(C)(=O)=O)c1 1760215716 LGLPYPJSXGSZLL-UHFFFAOYSA-N 433.537 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1OCCC1(C)C 1760216658 WOXOTTMTZOEYSW-HXUWFJFHSA-N 444.539 2.470 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCC[C@@H](O)C2)n1 1760252578 PVITZBZHWKRFRH-PZJWPPBQSA-N 449.559 2.374 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2scnc2C)CC1 1760262870 FMZYTWSBTPKJIJ-UHFFFAOYSA-N 427.603 2.397 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1760335385 ZIWZGIGECUYBDK-SSEXGKCCSA-N 428.562 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1760555851 OYTQMNHOOQRLQI-LJQANCHMSA-N 444.557 2.382 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1767205555 RKSAOUYMTKAILM-SZLLDUCCSA-N 426.521 2.449 30 10 IEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)CCOC1 1769780853 DUTFOIQDJODXQT-QHCPKHFHSA-N 449.515 2.003 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCOCC(F)F)cc1 1770739961 DMDCPJQERMDIKJ-GOSISDBHSA-N 446.502 2.257 30 10 IEEE N#C[C@@H]1CN(CC(=O)N2CCN3C(=O)c4ccccc4[C@@]23c2ccc(Cl)cc2)CCO1 1851246925 VYXBKFBBJBPFPI-JPYJTQIMSA-N 436.899 2.063 30 10 IEEE Cc1ccccc1N(C(=O)C1CN(S(=O)(=O)C2CC2)C1)c1nccc(N(C)C)c1C#N 1852248351 UVBKPBWMEXIBLE-UHFFFAOYSA-N 439.541 2.416 30 10 IEEE C=CCN1C[C@H](C(=O)O[C@H](COc2cccc3[nH]c(C)cc23)CN2CCOCC2)CC1=O 1852329842 XNMZAYTUTVQMPL-MOPGFXCFSA-N 441.528 2.134 30 10 IEEE Cc1ccc(OCCN2CCN(C(=O)c3ccc(Cl)cc3N=CN(C)C)CC2)nn1 1853056287 DMOYQGGENOZCLE-UHFFFAOYSA-N 430.940 2.497 30 10 IEEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 1853471502 LPMRQKSIGAYJKU-MJGOQNOKSA-N 438.528 2.308 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862695797 ITWIDMFQTMLXRG-DJJJIMSYSA-N 425.437 2.441 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)Nc2ccccc2)nc1C 1872692103 WPWPOUVVJBYIOW-UHFFFAOYSA-N 443.441 2.447 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(OC)c(O)c1 1874501084 PHIXCCUSRTWPJO-ZVBGSRNCSA-N 431.474 2.022 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3c(Br)cnc4nccnc34)C2)c1 1889758773 ORUITSBSLFHNDV-GFCCVEGCSA-N 425.246 2.347 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)C1 1891282017 GVECDYYKANLVTF-VXKWHMMOSA-N 449.536 2.033 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)(C)S 1990679457 MUYAIUVBPKVRJE-HZPDHXFCSA-N 439.578 2.290 30 10 IEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)N4CC(OCc5ccccc5)C4)C[C@@H]32)OC1(C)C 1999979057 LRZAXFMTLHKOGZ-BWTSREIZSA-N 434.367 2.156 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@]12CCCOC2 2054340177 YBPXIAJRRCTDKH-CJNGLKHVSA-N 439.372 2.373 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2123519727 VVKCYYJDVXGMMI-JKSUJKDBSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124534399 HVSPTBGJDVSSKR-BZUAXINKSA-N 444.341 2.217 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@](C)(CO)C1 2224079521 JGFKFNOUGCPPPB-JOCHJYFZSA-N 433.358 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247908850 AYWLYSWDZWXHPQ-FQEVSTJZSA-N 440.371 2.053 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255692667 COZXKHMNVKFMFU-KRWDZBQOSA-N 429.326 2.286 30 10 IEEE Cc1c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832671 PPDJPZGLVOKJKC-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE CC[C@H](CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256069323 LCASNQHFPZCFKR-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267006323 MXCWSTVLBRQBGC-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cc1cc(C(=O)N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267132036 KPJVGLMQBSLYGB-AAEUAGOBSA-N 444.259 2.416 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2267134627 SCGIRJCPTARPIV-GDBMZVCRSA-N 448.373 2.187 30 10 IEEE CON(C(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267150861 VZGSPXWDBIXWCV-UHFFFAOYSA-N 447.341 2.312 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267184642 NVLVGLKREXTDDC-HOCLYGCPSA-N 448.373 2.143 30 10 IEEE CC(C)[C@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267269040 BGXHGXRCJRKMSI-INIZCTEOSA-N 448.373 2.445 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267283880 VHWGACAWEUYJAU-YOEHRIQHSA-N 449.357 2.068 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267288779 GXPYERGTPYECPR-MBNYWOFBSA-N 444.259 2.496 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267530983 JIOUVIQZFFWFKQ-OAHLLOKOSA-N 448.373 2.189 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550280 XHOIDTRHYILBCD-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267591632 FITGCYPCFKIYGU-INMHGKMJSA-N 443.353 2.366 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267877863 YGRPSTJMJRJFDO-HKUYNNGSSA-N 436.365 2.416 30 10 IEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268639158 MXMVTEFTBPAEMA-HDMKZQKVSA-N 448.369 2.437 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268641414 NRCIPGQXGLDFMO-GJZGRUSLSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268784606 HCTCAARSTCXNLN-LSDHHAIUSA-N 447.341 2.080 30 10 IEEE COc1ccc(OC)c([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)c1 2296614895 DSICMSDCDKFJBU-IBGZPJMESA-N 428.489 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)C1 2301495502 XRVSYVWOKGCFBL-XXBNENTESA-N 449.617 2.310 30 10 IEEE O=[N+]([O-])c1cc2c(cc1C=Nn1c(SCCCO)nnc1C(F)(F)F)OCCO2 2331152809 XAFSXFKWVNTXCV-UHFFFAOYSA-N 433.368 2.333 30 10 IEEE COc1cc(Br)cc(C=Nn2c(CC(C)C)nnc2SCC(N)=O)c1O 2331445560 LJXCMIWXRCWAEC-UHFFFAOYSA-N 442.339 2.413 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(C(=O)OC)cc1 2331571204 CQRAZEVOOYDSDU-UHFFFAOYSA-N 443.485 2.095 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CC1 2337197179 TVSNCDAFCMHMLL-IBGZPJMESA-N 438.381 2.360 30 10 IEEE COc1cccc(CNC(=O)Cc2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)c1 9860523 LOWKAVJRZRGKMC-RTBURBONSA-N 445.566 2.044 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)c(OC)c1 20528067 QJKZRQNGHCCVOT-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21 33268675 QPXRCSUQQQKMDI-UHFFFAOYSA-N 438.915 2.351 30 10 IEEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccco1 102757864 GHMQEGOILWXBOC-LYHOESIGSA-N 425.441 2.098 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)cc1 135789815 BRLKUCXVNWPXQW-SADKCHQCSA-N 437.496 2.234 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)nnc12 303911966 MRMXBARIFAFULB-HZPDHXFCSA-N 440.573 2.263 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cn1 462083700 LTGCVCUHQWQFTP-UHFFFAOYSA-N 437.410 2.407 30 10 IEEE C=C(C)Cn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nnc1-c1ccncc1 481336450 HQVVWNPIULONLM-IBGZPJMESA-N 444.605 2.481 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 481515352 FEXXMXHJSYLBLI-KBXCAEBGSA-N 427.482 2.317 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482735995 NQUOKUQOAZGMMT-UHFFFAOYSA-N 442.523 2.357 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)C2)n(C)n1 483462717 WRHRLIVGNZXHCG-DOTOQJQBSA-N 430.534 2.205 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(C)C)c2=O)c1 537396134 YLIHWXWBDFODOJ-UHFFFAOYSA-N 448.548 2.420 30 10 IEEE CN1[C@H]2CC[C@H]1CC([C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(Cl)cc1)C2 548981805 LZXPTAXJFPKMEZ-MUGJNUQGSA-N 438.981 2.313 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 549273250 APLKJIZCAWFTFP-GOSISDBHSA-N 435.536 2.238 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 549291180 VIXQMRBESMYQNC-JOCHJYFZSA-N 440.592 2.196 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(CC)s2)CC1 555252544 NPPNDGWYEFMTAS-HNNXBMFYSA-N 436.607 2.102 30 10 IEEE N#Cc1ccc(OC2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCOC3)CC2)cc1 559226780 ZOWXYWRNGRWMKN-GHTZIAJQSA-N 439.516 2.322 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 576566926 QPSIJTUVPOPEJG-HNNXBMFYSA-N 430.557 2.347 30 10 IEEE Cn1c(N/N=C/C=C/c2ccc([N+](=O)[O-])o2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 606629689 DGAQSILCSHIZHW-OGMQXUJQSA-N 449.427 2.094 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 610982345 OLQUMLSYOWAHMZ-RNIPGJKVSA-N 439.468 2.002 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)nnc12 613786633 FCGWLVSZPFKKGC-ZWKOTPCHSA-N 439.541 2.492 30 10 IEEE C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669806965 GQOHUJRCYTUKTE-DENIHFKCSA-N 438.576 2.340 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H](C)c1cccs1 727417598 NRACCDXZVIGOAM-CQSZACIVSA-N 427.551 2.449 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4cccc4)c(F)c3)CC2)o1 729135699 KGKWNIRJFHGIKC-UHFFFAOYSA-N 437.431 2.290 30 10 IEEE CCN(CC)C(=O)COc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1Cl 733889800 BBUIFSVXGHPAKL-QZQOTICOSA-N 448.907 2.442 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCCC#N)C1=O 735226389 XFUGLERCVWOGOS-SFHVURJKSA-N 445.545 2.109 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCCO2)C1=O 741453571 FESWUXOSRNJQSL-ZWKOTPCHSA-N 436.553 2.394 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)c2)s1 742693812 GZCABMVNOYTJRU-JYWFKMLOSA-N 435.505 2.455 30 10 IEEE O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCN(Cc2nccn2C(F)F)CC1 746468680 FWNGRQRJQMKKNP-UHFFFAOYSA-N 446.348 2.480 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1Cc1ccccc1 753359212 OAJJSWWDXQEUNZ-OAHLLOKOSA-N 449.532 2.191 30 10 IEEE CN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1COC[C@@H]1C(=O)O 757486755 QXHIQJFNPXMCGV-FCHUYYIVSA-N 448.475 2.087 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)cc1F 758067146 FHMPYRFYZMDJRV-UHFFFAOYSA-N 436.424 2.290 30 10 IEEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765546593 YNTSKCHPIQOXSW-LJQANCHMSA-N 442.589 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCC(SCC(=O)NS(=O)(=O)c2cccc(C#N)c2)CC1 778598773 PBRKQGDJZZQIFI-UHFFFAOYSA-N 439.559 2.496 30 10 IEEE CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134743 SAWKNRWAIOOMOK-UHFFFAOYSA-N 435.553 2.246 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 781398476 WMIPRDTWFJYHFY-HXUWFJFHSA-N 444.553 2.481 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(-c3ccccc3C#N)c2=O)c1 781657315 JUGBSRXSFVUDBQ-UHFFFAOYSA-N 428.517 2.372 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 787057465 FIFCKQCJNQBOEC-QUCCMNQESA-N 434.452 2.472 30 10 IEEE C=CC[C@]1(C(=O)Nc2cnn(CCN3CCOCC3)c2)CCCN1C(=O)OC(C)(C)C 790582716 SKSIKBNPCQWLTQ-JOCHJYFZSA-N 433.553 2.500 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)c1ccccc1SCC(N)=O 790867502 FKTYTTQZHVIRPB-UHFFFAOYSA-N 443.428 2.273 30 10 IEEE C#CCOc1ccc(C(=O)N[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)cc1 797583402 VOBIIXNHJUTSOY-QFIPXVFZSA-N 429.494 2.310 30 10 IEEE C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 803699846 RWXFFLOFIUIOSG-QGZVFWFLSA-N 430.526 2.394 30 10 IEEE CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 804651132 IEFZHNDJGXRNLT-UAFUQJIBSA-N 432.521 2.153 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808295390 CDKRTKISQFRFFT-SNRMKQJTSA-N 441.532 2.356 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)C1 808758703 FHHDSLBWGJMAGQ-NRFANRHFSA-N 434.562 2.450 30 10 IEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C)[C@@H]1CCS(=O)(=O)C1 809865013 GNGJKZYHZXQODU-GFCCVEGCSA-N 427.299 2.010 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 809926017 HADSUSHXLJQCMX-DLBZAZTESA-N 437.541 2.014 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)c1ccc(F)cc1 813101392 ZFTADEGNRMJDJN-IBGZPJMESA-N 432.473 2.087 30 10 IEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 1084391426 MHZCVKMBRRZRIX-UHFFFAOYSA-N 432.535 2.332 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccccc2OCC#N)cc1 1128761099 BKKPHKCJVKODFZ-OAHLLOKOSA-N 425.441 2.149 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CCOCC1 1131469804 ZIPVMLXJSHOABC-JOCHJYFZSA-N 430.570 2.121 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1134468860 VHOWQOCBXOHWMA-OAHLLOKOSA-N 445.522 2.215 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C(F)F)nc4ccccn34)CC2)cc1 1136149323 GEOPDTDZRQCGRI-UHFFFAOYSA-N 445.451 2.290 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 1136998320 KFDCSIYBQOFYDI-KBPBESRZSA-N 425.917 2.068 30 10 IEEE CCOC(=O)c1csc(CC2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)n1 1153535601 IJWZYMXDJMFZNG-UHFFFAOYSA-N 440.525 2.403 30 10 IEEE Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c(C#N)c1 1166739632 WESRHRLDAMFLIF-UHFFFAOYSA-N 434.543 2.097 30 10 IEEE Cc1nn(C2CCOCC2)cc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1175748802 IUAHFMXMPPWFFU-GOSISDBHSA-N 436.472 2.258 30 10 IEEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](c1cccc(C#N)c1)C(F)(F)F 1197202972 PGDWDCNASRWCAK-QGZVFWFLSA-N 426.420 2.346 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)CC1 1197587661 AQGOISLNUJDYJK-UHFFFAOYSA-N 448.589 2.309 30 10 IEEE C=C(C)[C@@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(F)c(F)c1 1226662233 XUUOQYRWWOVDAI-OAQYLSRUSA-N 430.455 2.314 30 10 IEEE C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H]1CCO)c1ccc(-c2cccc(C#N)c2)cc1 1233981000 BJPDEIMFCCXCGC-HRAATJIYSA-N 427.526 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1255412964 JPPIGYRUPQJFHF-HOCLYGCPSA-N 427.496 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1286272598 CBTLKTJOMVQUOM-AWEZNQCLSA-N 437.504 2.015 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1286274880 PKRXEBOIWALOGY-ZDUSSCGKSA-N 443.309 2.043 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1286465436 NGALMMQSPHDFCZ-IBGZPJMESA-N 439.516 2.263 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)CN1CCOCC1 1286469157 DILHRRRXCPOBNB-NJDAHSKKSA-N 447.624 2.251 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1286540926 UNNJIPWAVNCPCH-UHFFFAOYSA-N 428.356 2.043 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1286561784 OVZNIIGYPCQPIS-UTKZUKDTSA-N 440.548 2.100 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCC1 1286782195 NJQACWRYFAQNKH-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1286821064 ZLLLQMQZVQLZGW-QGZVFWFLSA-N 448.545 2.138 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)OC 1291410655 ADFNCZOVRWJNRO-FXAWDEMLSA-N 440.548 2.173 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)C(=O)OC 1297029767 NHTOHHKGEGWNPQ-OLZOCXBDSA-N 439.559 2.496 30 10 IEEE Cn1nnc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@](C)(C#N)C2)n1 1298905371 DJZHFUFGROTVQW-LJQANCHMSA-N 429.435 2.248 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccccn1 1298998250 AASWYLBGWOYOTJ-QGZVFWFLSA-N 433.516 2.185 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300505332 ZVCLESCREIRIKO-NEWSRXKRSA-N 439.541 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(N(C)C)CCOCC1 1300569379 IWILSHUVXJGGQQ-UHFFFAOYSA-N 449.555 2.290 30 10 IEEE C=C(C)Cn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1300965468 QGLFUZWJSDMRSP-JOCHJYFZSA-N 444.536 2.202 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1301327122 NBDOZKCPUDDVEC-HNNXBMFYSA-N 439.582 2.202 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1301519891 SDVRTTUDCPUTMX-KRWDZBQOSA-N 444.605 2.412 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC)[C@@H]2CCN(CC(F)(F)F)C2)ccc1F 1301582729 IWQXAUSLTWDCLG-CQSZACIVSA-N 437.459 2.389 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCc2cccnc2)cc1 1302993998 IBDRPZJVLBZTMT-FQEVSTJZSA-N 445.527 2.458 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)CC2)c1C#N 1304730903 JSLBDSLBSBDRGQ-UHFFFAOYSA-N 433.520 2.230 30 10 IEEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C2CC2)O1 1305188215 NLCVHBRPIVCKTG-BSJFBBQISA-N 442.564 2.397 30 10 IEEE C[C@@]1(C(F)(F)F)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1308016714 HSXNNXWMJYVGFW-HKUYNNGSSA-N 428.430 2.188 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1 1312660209 BPQDGNFRIMYSLT-UHFFFAOYSA-N 435.459 2.215 30 10 IEEE COc1ccc(COCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1315509151 UJJKNMDBCXFKAF-XMSQKQJNSA-N 442.495 2.287 30 10 IEEE C=CCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 1347925402 ZQHBASVLKHZOHE-UHFFFAOYSA-N 446.525 2.462 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Br)cn1 1358900872 UPANSJRBOBMUNJ-YCPHGPKFSA-N 437.342 2.119 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2c(C)nn(C)c2C)c1 1358902237 HZAZXTSKZUKBRJ-LJQANCHMSA-N 447.543 2.237 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358917808 BQZRPWBPGRVKQO-NFBKMPQASA-N 442.564 2.434 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cccc(C(=O)N(C)C)c1 1358995763 DYZBGFGFPDBURI-UHFFFAOYSA-N 426.524 2.477 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1CCOCC1 1358996136 TYRGUJPDISWRLI-UHFFFAOYSA-N 426.590 2.208 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C)c2)CC1 1359029146 PSDWUOPMXGOUCG-UHFFFAOYSA-N 429.528 2.232 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359295384 ZONHAZUSFFEGSJ-HOCLYGCPSA-N 444.536 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359298849 NPFRUOTYWLSGAC-GOSISDBHSA-N 449.515 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359326712 IJIPGJCKWJQYHP-AEFFLSMTSA-N 436.582 2.187 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)CC2)c(F)c1 1454282201 KWHAKWJJQLUALU-WOJBJXKFSA-N 448.564 2.423 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2sc(S(N)(=O)=O)cc2C1 1460475295 XIPVMIGTUBZMND-CYBMUJFWSA-N 425.601 2.418 30 10 IEEE Cn1cc(CNC(=O)c2n[nH]cc2I)c(-c2ccc(C#N)cc2)n1 1466802551 RRBQYTQVZSJBCW-UHFFFAOYSA-N 432.225 2.216 30 10 IEEE CC(C)CC(=O)N1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1469763487 AUUAGICEDQFQQS-FQEVSTJZSA-N 425.533 2.344 30 10 IEEE C[C@@H]1CCCN(CCCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1493794240 UUMAYTFXXVXMOD-GCJKJVERSA-N 431.560 2.355 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)C(=O)OC(C)(C)C 1499162324 LYUNCTIYPURASZ-UHFFFAOYSA-N 440.552 2.301 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1(C)C 1504519861 NPIWMEBMDCFZQN-IBGZPJMESA-N 438.532 2.116 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCCC1 1504886388 INNIZGZCTGGUAO-UHFFFAOYSA-N 443.552 2.247 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1507591621 MJOIHTJPMPNMSK-DLBZAZTESA-N 440.552 2.032 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1507629213 KURGXRWKGWTDLO-KRWDZBQOSA-N 445.564 2.195 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507630980 AKGNMMGXCZRNAM-UXHICEINSA-N 449.621 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2(COC)CCCC2)CC1 1507738949 IWLWBIXIBGHXQC-HXUWFJFHSA-N 443.592 2.345 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1507754246 VOKDSUXBQIUQKH-UHFFFAOYSA-N 438.557 2.154 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1507756762 QVGXVEFNIJEPBL-PGRDOPGGSA-N 427.574 2.405 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507799093 VGDBQDNZACHIBY-FYYLOGMGSA-N 444.624 2.338 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1507844696 NUEXYKBCUNBWGP-IBGZPJMESA-N 432.569 2.497 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1507873661 DHCXJBDPWAEUDA-UTKZUKDTSA-N 437.972 2.425 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCOCC2)C1 1508071290 CPZBIDYOHGEJND-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCC2)C1 1508128916 ZMBBHLWKOMFXGP-QZTJIDSGSA-N 438.594 2.168 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1509197843 HGSYCRBNZXQGFE-AUSANRGPSA-N 428.537 2.151 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(I)cn3)C2=O)cc1 1515375642 SGWBDLDRANQEAF-MRXNPFEDSA-N 446.248 2.483 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2nccnc2C)CCOC1 1516177754 AVNSSDIVXKEOSK-QFIPXVFZSA-N 425.537 2.401 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1518748776 JDNCLCGZFYRLQR-ZWKOTPCHSA-N 429.500 2.097 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-n3ncc(C(=O)OCC)c3C)cc2)n1 1520240958 ZUADZANCIBYQJD-UHFFFAOYSA-N 449.511 2.476 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCCOC(F)F)cc1 1521109943 IJOCXGDLSKKPMP-NRFANRHFSA-N 449.458 2.354 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(c3cccc(C#N)c3)CCOCC1)C2=O 1533082319 AMIFTYKPETZMON-IRXDYDNUSA-N 438.528 2.427 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1537137968 IQMAPWXZMLLRDX-YHWZYXNKSA-N 427.320 2.172 30 10 IEEE C#C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1537528019 LCKYSDDQEIYXTH-MSOLQXFVSA-N 431.558 2.084 30 10 IEEE Cc1cc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc(S(=O)(=O)N(C)C)c1C 1538610048 HIXKYAPXQQDDDY-UHFFFAOYSA-N 438.513 2.318 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2([S@@](C)=O)CC2)c1 1539040371 RXECRVYLVQLNTA-WJOKGBTCSA-N 436.541 2.241 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1539078609 AWAHBQAFQKPANV-UHFFFAOYSA-N 440.592 2.433 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539101763 HTQVVRRDSSJKIE-FQEVSTJZSA-N 441.557 2.260 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1539172193 VBTPEDQLSLHCMS-SFHVURJKSA-N 449.559 2.026 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1539210918 HZNCIRYUXVNENK-GOSISDBHSA-N 447.605 2.242 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539221867 RSKLRSXFFMGDDL-IBGZPJMESA-N 443.573 2.403 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539323782 LJPSFSBKEINRTJ-IFMALSPDSA-N 448.571 2.303 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539611939 FKZWWDDJEXZNSH-ZIAGYGMSSA-N 433.372 2.442 30 10 IEEE C=CCCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540021970 XKPAMVVVQBIGHE-IYBDPMFKSA-N 439.582 2.250 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1540870052 DLNJVLNNQHQEMZ-UHFFFAOYSA-N 432.466 2.260 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CC2)CC1 1541200282 AZYDMBTZGGQWST-HXUWFJFHSA-N 434.516 2.359 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1541698922 CGQLWSAUBPBURF-UHFFFAOYSA-N 430.516 2.063 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCSC2)CCOC1 1541728936 QNPOOVVEHGTPOS-NJDAHSKKSA-N 435.594 2.317 30 10 IEEE Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1542349647 IVQSAZBAYJQZKE-HDRCJFCASA-N 428.518 2.315 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)c(F)c1 1543709893 IKECAIJMHADIIW-NRFANRHFSA-N 437.519 2.326 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 1564798920 UULILVRPIZTHQN-HSZRJFAPSA-N 432.524 2.331 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1587964121 AFJXSUPWMLCVKH-QUCCMNQESA-N 440.475 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC(=O)N1 1588109939 SLAONRDTZLBUEZ-CQSZACIVSA-N 430.281 2.198 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1589164091 PQCXJUMBFUDBLO-DVJXIFHOSA-N 445.608 2.422 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589496560 YKCDIADKSSZICL-MHORFTMASA-N 425.599 2.291 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1595148938 CRGWTKYRKOTWDQ-HXUWFJFHSA-N 445.570 2.144 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](OC)C2)cc1 1595613314 CDGNBMYKTUIEIH-AZUAARDMSA-N 446.573 2.409 30 10 IEEE COc1cc(N2C[C@@H](C(=O)Nc3nc4ccc(C#N)cc4[nH]3)CC2=O)cc(OC)c1OC 1595733375 AMGDIONOLPOLRG-ZDUSSCGKSA-N 435.440 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1595788842 KJDSBQOSMXKFCZ-IEBWSBKVSA-N 431.562 2.255 30 10 IEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595900822 KCPDUSVTQPKLKZ-KRWDZBQOSA-N 446.552 2.471 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1598063122 PGXSUWMGTRHSJL-FQEVSTJZSA-N 449.559 2.180 30 10 IEEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1603419515 MZNTVYIDMFHGMA-RTBURBONSA-N 434.610 2.421 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC[C@H]1C 1612836972 HCBIBVCQRRJOSM-IAGOWNOFSA-N 431.562 2.360 30 10 IEEE N#Cc1cc(NC(=O)c2nc(S(N)(=O)=O)c3ccccn23)ccc1OC(F)(F)F 1617824821 DYTFDKILBWCXQX-UHFFFAOYSA-N 425.348 2.004 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1617868699 HAHWGAHWRGJVKI-NOVUIFNWSA-N 426.546 2.038 30 10 IEEE COc1ccc(CCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cn(C3COC3)nn2)cc1 1619229217 LIPNRRWWRSRUTG-INIZCTEOSA-N 436.520 2.021 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2CC[C@@H](C(F)F)N2CCOCC2)cc1 1620351200 TXUNGPUTINHQQU-SFHVURJKSA-N 432.475 2.009 30 10 IEEE C#CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)OC(C)(C)C 1624144581 WQJPMIZLLZSEHC-UHFFFAOYSA-N 439.472 2.325 30 10 IEEE COC(=O)[C@H]1CCc2sc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)nc2C1 1625780322 CREBBEUILYINGA-AWEZNQCLSA-N 426.502 2.042 30 10 IEEE Cn1c(S)nnc1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1632908594 PLQLWEZEIQQDRN-CQSZACIVSA-N 444.948 2.388 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 1633522666 NMHVAHNQVUVOLJ-INIZCTEOSA-N 429.583 2.408 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)n[nH]2)c1C 1633651325 VBRYRMDFJYOIIV-IBGZPJMESA-N 425.514 2.476 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1636699456 MHPWLHDBDKNHAO-OFQRWUPVSA-N 430.954 2.195 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1636700509 SPFQIMQCHWUALY-KRWDZBQOSA-N 436.508 2.426 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 1636814553 LJGDPCFVZCJZEK-GJZGRUSLSA-N 435.315 2.098 30 10 IEEE C=C(C)CONC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1639689920 DLFYXPBRJIGPRD-LBPRGKRZSA-N 433.324 2.144 30 10 IEEE CC1(C)CC[C@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)N(C(=O)OC(C)(C)C)C1 1643639334 KBALRUDJOROZGW-RAJOGRCSSA-N 434.537 2.445 30 10 IEEE CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cc(F)c(C#N)cc3[N+](=O)[O-])cc2)CC1 1651526029 QDFLXZRDAYTDSS-UHFFFAOYSA-N 448.432 2.115 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CN(C4CCCCC4)C(=O)O3)CC2)cc1 1653740415 DBXYSGPFHREZKO-IBGZPJMESA-N 432.546 2.018 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC2)o1 1654268092 YAHYCXGBGXWTDB-DNVCBOLYSA-N 449.433 2.028 30 10 IEEE COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1654909603 QAERVAFKRXJBRK-MSOLQXFVSA-N 443.500 2.114 30 10 IEEE CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1660887933 BWSYAXUAISTYMI-UHFFFAOYSA-N 440.294 2.397 30 10 IEEE CCCNC(=O)Cc1csc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1664211048 BZUJNCBLRCIKBF-UHFFFAOYSA-N 426.546 2.433 30 10 IEEE N#C[C@]12CN(C(=O)NCc3cc(Br)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1685319858 HHRHYDWAJKQTQT-XHDPSFHLSA-N 432.727 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1689855142 OYRXDASIJOMOTA-SFHVURJKSA-N 447.630 2.014 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689926056 HJQGTOKCXZNIMO-CVDCTZTESA-N 449.603 2.441 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1689994409 XTDMSLOWTUGWBQ-IBGZPJMESA-N 428.558 2.223 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnc2n1CCCCC2 1690009179 WQVOOOWCTJZEDB-UHFFFAOYSA-N 445.527 2.401 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCOC[C@H]1OC 1690087305 RVMKQBYLIJFQJW-AZUAARDMSA-N 443.523 2.247 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690364432 QJXZWYKCRIDJCP-AEFFLSMTSA-N 426.631 2.411 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690430296 HSTLAYVQFJZWBW-KRWDZBQOSA-N 437.548 2.189 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1ccn(C)n1 1690561528 TWXXSYLZUSYVAX-UHFFFAOYSA-N 430.516 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(F)c1 1690669040 RPKZCKABRZYFMK-UHFFFAOYSA-N 426.452 2.084 30 10 IEEE CCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 1695838052 YNFAQIIYHHFSDE-PKOBYXMFSA-N 437.548 2.435 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@](C)(O)C1CC1 1696331373 FSAHBNJGWNANKI-JOCHJYFZSA-N 428.512 2.313 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CSCCS1 1697617667 FHWBBHRGNYNJDM-CVEARBPZSA-N 447.586 2.443 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1705516759 IKGFOUURXXGVMT-SFHVURJKSA-N 445.564 2.449 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC1 1705552381 YFSASAHUZSFAKI-SFHVURJKSA-N 432.569 2.142 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1705627725 OGRUXNMTZSCTFF-QAPCUYQASA-N 431.924 2.436 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC1 1705643112 SOBNEQDPGTYLSJ-UHFFFAOYSA-N 444.967 2.038 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705660638 AULOMFUQJNVWLH-FQEVSTJZSA-N 446.665 2.366 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1(c2ccccc2)CC1 1705895225 YLMAKSXPLPWQNP-UHFFFAOYSA-N 445.527 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCCCC2)C1 1705916220 ZWHVWFIYKMOUJU-UXHICEINSA-N 430.597 2.417 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1706069713 GJRCZPVUWCIPKZ-ZIAGYGMSSA-N 440.957 2.217 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1706074982 HSHOHHFCRCSERV-MAUKXSAKSA-N 444.561 2.008 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCCCCCO)C2 1707842599 PITOZSRMSUTKBC-UHFFFAOYSA-N 436.520 2.202 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(OCCN(C)C)c1 1707892444 VXRNGKUBMQOTAJ-UHFFFAOYSA-N 433.516 2.110 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1708516001 KEHPOHBNWZCOTA-VQIMIIECSA-N 425.537 2.047 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCOCC1 1711975707 KRWYPLJVUWVACQ-HSZRJFAPSA-N 442.539 2.432 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)NC1CCCCC1 1712625006 QNICFCBANNCVNX-ZWOKBUDYSA-N 432.569 2.437 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722317254 ROTOMKPIFMYABE-MOPGFXCFSA-N 449.621 2.116 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1722359757 ARADWHJNJUROSC-KRWDZBQOSA-N 438.557 2.273 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1722371901 MOMIERYCUJFJFL-IBGZPJMESA-N 431.537 2.220 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1722371902 MOMIERYCUJFJFL-LJQANCHMSA-N 431.537 2.220 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722372430 WPLINNKCQWVCQT-GOSISDBHSA-N 446.548 2.248 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722430328 AUHDGOPVOGVNTP-PZJWPPBQSA-N 441.601 2.010 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[S@](=O)CC)CC1 1722442194 UQPOPLHGXKOYRM-SSEXGKCCSA-N 447.630 2.103 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722461657 OZLKBFUJXVHVRJ-UHFFFAOYSA-N 441.667 2.483 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1C 1722463251 ZMWCNKOORQJOCV-UHFFFAOYSA-N 443.602 2.314 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722543582 RAQYUBHRQLMVQT-QGZVFWFLSA-N 435.960 2.488 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722555864 MRYXFIZZSFEVIM-CVEARBPZSA-N 444.001 2.065 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1722573356 VQCREXZNRGCECM-SFHVURJKSA-N 427.553 2.219 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1722574220 HYCGEBRVNBKWQG-QUJKESNLSA-N 437.610 2.232 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCS(C)(=O)=O 1722707623 UYNAULWJKQCUDM-GOSISDBHSA-N 434.562 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1722726560 GNXHBQFMGPHTPZ-UHFFFAOYSA-N 448.574 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H]1CC 1722727333 KKJIMSZLJNEQBB-ZBFHGGJFSA-N 435.550 2.231 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1726771110 ACWVWJOJACETIT-QVKFZJNVSA-N 440.529 2.362 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCc2ccccc21 1730875340 LTPRDDHHUHPQDB-AZUAARDMSA-N 440.548 2.184 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740620780 RKYOMCFRFTWREV-LBEKAKSKSA-N 448.614 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1 1740655931 GMSBQYYCRZGFJE-MOPGFXCFSA-N 426.542 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(Cl)c1 1740657598 UDFWPUGDRTZOJR-KRWDZBQOSA-N 446.960 2.376 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740691769 CYPANEHNOKXYFB-GOSISDBHSA-N 441.967 2.007 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NCC=C)CC1 1740697910 PQNQNMHJFJAIRB-QGZVFWFLSA-N 438.601 2.189 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)C(F)(F)F)CC1 1740700492 BHTUJNPDTRKOBI-HOTGVXAUSA-N 429.487 2.346 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)C1 1740952499 GPIQRFNUDYUYQS-FQEVSTJZSA-N 438.576 2.427 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740964381 OCSOFINLVOSIME-OALUTQOASA-N 426.565 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740990874 IKCMARQDRBQDLJ-INIZCTEOSA-N 435.525 2.338 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(OC)CCOC2)c1 1748689418 BZZULRJPPOVMQN-QHCPKHFHSA-N 425.533 2.437 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(CC)C2CC2)CC1 1748979898 RUZPJSYDPFWVEV-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1749008971 DWCKDXNFBWRJQG-UHFFFAOYSA-N 434.544 2.322 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749046854 IDVMMNZEQBIWRM-MJGOQNOKSA-N 441.557 2.467 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749129412 CUGJITJTDRBBKS-ZRNYENFQSA-N 431.581 2.456 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749260456 QSFOUFKFZZVLNT-DNVCBOLYSA-N 429.956 2.081 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1749461930 MDXKPBCUBNDVML-UHFFFAOYSA-N 438.576 2.141 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1749650279 QFXXFGCBMKZGEA-AWEZNQCLSA-N 444.486 2.218 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C1 1750083543 SSXRYBBEHANIMA-WZONZLPQSA-N 425.533 2.467 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2Cc2nncn2C)c1 1760127484 AKWAKEPNUKTPCT-UHFFFAOYSA-N 432.532 2.244 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760188769 MRFQVIUKPWTQCR-ICSRJNTNSA-N 444.605 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CCC 1760215090 OIGJFRHJCFZXOE-QFIPXVFZSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N1CCOCC1 1760216845 DUCUVUOYZUWOKN-UHFFFAOYSA-N 444.539 2.149 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1760275611 BYALOCATJLKKPK-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1760481278 RXIMKBKYRKTYRL-GOSISDBHSA-N 443.573 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCC)C1 1760515921 SQQSEJVNJRRLDP-AWEZNQCLSA-N 437.342 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccsc1 1760521505 VCIBJBSISDSFSA-UHFFFAOYSA-N 449.540 2.192 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1760559384 GZXQTSFVSKRTRY-CRAIPNDOSA-N 431.628 2.203 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC1CC1 1760689864 FZDKQZODYFBZFN-CQSZACIVSA-N 432.506 2.274 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CCC[C@](C)(C#N)C1 1766847972 IDWFCXIMVHZHIT-AUSIDOKSSA-N 427.597 2.303 30 10 IEEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1769393419 GHZWNTZDJMHBPO-UQASEVPWSA-N 430.509 2.315 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769570662 BQOVLWXWMGNVNA-BHIFYINESA-N 435.569 2.236 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCc2ccccc21 1769845565 OBEAEVOEAIOYCU-WMZHIEFXSA-N 425.533 2.373 30 10 IEEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1770573593 XJKLOFOIJBAKJT-FLAIETJXSA-N 438.598 2.224 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCOC[C@@H](C4CCC4)C3)n2CCOCCCO)cc1 1770740854 XKMKICLAMGJQEE-NRFANRHFSA-N 425.533 2.469 30 10 IEEE N#Cc1ccc(NC(=O)c2nccnc2N2CCOCC2)c(I)c1 1851284707 MRERRBDTDHKBLL-UHFFFAOYSA-N 435.225 2.042 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(F)cc1 1852091362 IHQYKNNOLKYFIN-CQSZACIVSA-N 440.566 2.238 30 10 IEEE Cc1ccc(CN2C(=O)N[C@]3(CCN(CCNC(=O)Nc4ccc(C#N)cc4)C3)C2=O)cc1 1852259258 VXDAUZGLSXPIPP-DEOSSOPVSA-N 446.511 2.185 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCN(c4ccc(-c5ccncc5)nn4)CC3)cnc2c1C#N 1852889763 HQTUWRDBIFULNY-UHFFFAOYSA-N 439.483 2.032 30 10 IEEE N#Cc1ccnc(OCC2CCN([C@H]3CCCN(C(=O)[C@H]4CCCS4)C3=O)CC2)c1 1854419522 HWKRKOUEWNLCLS-RBUKOAKNSA-N 428.558 2.457 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)OC1=O 1855760292 TXYJABGJIIRNGB-IBGZPJMESA-N 431.514 2.227 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CCC[C@H]3Cn3ccnn3)CC2=O)c1 1856678534 WUWRISDKWUHQNH-IRXDYDNUSA-N 426.908 2.151 30 10 IEEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871539183 MACHEOSSKXQWTB-UHFFFAOYSA-N 427.336 2.463 30 10 IEEE C=CCN(CC=C)c1nc(=NCc2cccnc2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711488 MBCOEVNEAMEZPM-UHFFFAOYSA-N 431.500 2.416 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)CC2)CC1 1889527986 BBBDNHRHFCFKQS-UHFFFAOYSA-N 438.572 2.439 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1890983885 DIKBZUSCICGDOG-ICSRJNTNSA-N 437.993 2.439 30 10 IEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 1892087269 OQZDTFGWPYPFRD-KRWDZBQOSA-N 448.479 2.072 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 1902431342 OKKPVGLPRASZDT-RBUKOAKNSA-N 436.574 2.395 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CNC(=O)OC(C)(C)C)C(=O)OC 1999246738 UIIOMPKBZQGSFZ-KRWDZBQOSA-N 439.553 2.387 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060641457 JQHCMHHGIQEBTJ-DZGCQCFKSA-N 432.330 2.265 30 10 IEEE C[C@@H](C#N)N1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 2060721411 QFGRRSPKKPMEFB-HKUYNNGSSA-N 444.532 2.069 30 10 IEEE Cc1cc(Cl)c(C#CCO)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2138106187 XOBRHCLWLPMRLS-UHFFFAOYSA-N 432.885 2.030 30 10 IEEE CC1(C)OB(c2cccnc2NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2232273073 IILPHFSECOOSJY-UHFFFAOYSA-N 436.365 2.313 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248445919 TTWYMKXWPNVLKY-CHWSQXEVSA-N 437.371 2.362 30 10 IEEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255543149 CYKSQNHATWGFMS-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE Cn1cc(C(=O)NCCCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255625274 PCDHPKGBRRMAGP-UHFFFAOYSA-N 436.362 2.144 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255628311 GKUIBGUJHOCHKN-HIFRSBDPSA-N 434.346 2.227 30 10 IEEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)NC(=O)OC(C)(C)C 2255632257 KTCCPFZNTVNMQN-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255676374 PUVVNOATEDUNCI-GOEBONIOSA-N 433.358 2.450 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255821777 GFUULCXCADFHRI-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(C#CC(=O)NC2(CC(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2256914285 XFTOXJYYBMCBGS-UHFFFAOYSA-N 426.322 2.247 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267192480 RLJLQJTUQOUTMB-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267499039 YKZCWRDGMPNDKK-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267518391 FEZHKGMANIIZSH-IJEWVQPXSA-N 446.357 2.036 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 2267526739 XAQYTESRUYYBHD-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274222328 NLDONXGTDMHMGA-OAHLLOKOSA-N 448.373 2.426 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2301660666 FDZKHUOFOLNMIW-CYBMUJFWSA-N 425.310 2.472 30 10 IEEE C=CC1(N[C@]2(C(=O)O)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2306199519 NJDSDVRLXPGFCD-RTYJCRPCSA-N 437.537 2.462 30 10 IEEE Cc1c(C#N)c(NC(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)n(C[C@@H]2CCCO2)c1C 10484478 PCKSBGYRCIAGSO-HNNXBMFYSA-N 449.467 2.202 30 10 IEEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)cc1OC 33271310 RWFZHBSKTMSKDN-HNNXBMFYSA-N 429.440 2.113 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472621 DXCSRYDKPZSWPK-CRAIPNDOSA-N 429.436 2.377 30 10 IEEE CSc1nc(C)c(CCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c(=O)[nH]1 109892244 WRIRMEAQUVZHEA-MRXNPFEDSA-N 443.554 2.145 30 10 IEEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 118927453 JWPZLQJLMNKVAZ-YYQDXFJASA-N 432.488 2.195 30 10 IEEE CC(=O)O[C@@]1(C(=O)CO)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118938669 FPVRUILUEYSIMD-WJSUBCRMSA-N 434.504 2.467 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CC1 435785208 AYASYCXHCPTNPH-BAGYTPMASA-N 436.537 2.303 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 438894301 JFLHJAKXRQTPAS-UHFFFAOYSA-N 427.511 2.018 30 10 IEEE O=C1COc2ccc(S(=O)(=O)N3CCN(CC#Cc4ccccc4Cl)CC3)cc2N1 441260706 AZGLYVIIOULRLT-UHFFFAOYSA-N 445.928 2.029 30 10 IEEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 442737105 KTOXLRQSKAJYLI-UHFFFAOYSA-N 426.489 2.311 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1-c1ccccc1C 461378215 SQKFSRUATHOXLG-UHFFFAOYSA-N 445.544 2.159 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CC2 467865559 REHLLAMJEIYHHK-GXTWGEPZSA-N 445.449 2.308 30 10 IEEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 475310980 GEPVRNOJRAWTSM-FQEVSTJZSA-N 426.542 2.225 30 10 IEEE COc1cccc(N2C[C@H](NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2=O)c1 506121302 XXLWVPSGGUSFFU-QGZVFWFLSA-N 432.484 2.081 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 522541591 OJPGGGHQJBDXHN-RDJZCZTQSA-N 426.538 2.216 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 541820391 FJRBVRIKWZPYGR-UHFFFAOYSA-N 449.330 2.162 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cc1F 611029901 IHPJFYWIBGKQQT-UHFFFAOYSA-N 432.542 2.293 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 670202435 NGEPPISAKNPJGY-MOPGFXCFSA-N 447.561 2.353 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O 730137795 AHBXMXVVDDDAJM-MRXNPFEDSA-N 435.550 2.482 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C1CC1 732652088 MSKSHMSIOSZYJH-LBPRGKRZSA-N 426.214 2.012 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 733253779 PFLHRTNHJVQPQG-QGZVFWFLSA-N 432.299 2.355 30 10 IEEE COC(=O)CCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCO2 735225918 PBVPIRZMMFJELW-KRWDZBQOSA-N 447.513 2.359 30 10 IEEE Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1C 742249933 CKVAEFJEZVFOKE-XOMICKMZSA-N 428.514 2.060 30 10 IEEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](c2ccccc2)O1 742584535 WVDCHEGOZVJJLF-GJYPPUQNSA-N 427.526 2.492 30 10 IEEE Cc1ccccc1Cc1nc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 751621517 CDLXGORJYAJHDV-UHFFFAOYSA-N 440.481 2.141 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C)c2=O)c[nH]1 753357407 ICCYWRKYZQYDOX-UHFFFAOYSA-N 447.516 2.194 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn23)C1 758642671 FLKJUKKQVLSLEN-RYUDHWBXSA-N 425.898 2.025 30 10 IEEE CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760388039 KKZMYRGPAZQQRT-GOSISDBHSA-N 434.562 2.430 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)ccc1F 766163763 WZFVEWPPIUXXAL-OAHLLOKOSA-N 426.510 2.484 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(CC)c2=O)cn1 772274520 FCTBCAIAXHCQKA-UHFFFAOYSA-N 428.464 2.200 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 776968113 JZJUZUVYSNJBAU-HSZRJFAPSA-N 437.475 2.353 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)c1 783211716 KXSDBPFIUNNKQB-HZPDHXFCSA-N 440.493 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)C1 786558075 JZTRMAFXOFVNJB-HNNXBMFYSA-N 437.443 2.316 30 10 IEEE COC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2ncc(C(F)(F)F)s2)NC(=S)N1 788474771 AZBULEFMXQDRMV-SNVBAGLBSA-N 428.417 2.386 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)n1 788813722 QFSDHAORXVDGTK-QGZVFWFLSA-N 426.542 2.266 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CO)CC2(CCC2)C1 790086106 CPOPLXHXGGBQQG-QGZVFWFLSA-N 433.574 2.343 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCCCc2nc(-c3cccs3)no2)cc1 794250501 LCRGJMWIOWJBMD-UHFFFAOYSA-N 432.483 2.124 30 10 IEEE CCN(CC)[C@H](C)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)nc1 794451501 XRCXGIKPZSYAKZ-PBHICJAKSA-N 433.578 2.421 30 10 IEEE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1 796277730 BCZPPGRKXAQBPQ-ZDUSSCGKSA-N 439.472 2.001 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C(C)(C)C)cn1 796419912 RYTRRLUFPWDJIH-QKNQBKEWSA-N 449.511 2.329 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]3C2(C)C)C1=O 799027262 WBDIUBJXPAAOIJ-BMCPXHGSSA-N 435.565 2.330 30 10 IEEE Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](O)c1ccc(C#N)cc1 803551124 QYWQZQOYXFMURF-QZTJIDSGSA-N 425.489 2.146 30 10 IEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NCc2ccccc2)n1N 1084047327 DEHUTDUVMYQYEQ-UHFFFAOYSA-N 441.565 2.241 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)cn1 1084053476 SIMJDPIOMSWYOT-UHFFFAOYSA-N 427.450 2.272 30 10 IEEE N#Cc1ccc(C2(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CCOCC2)cc1 1151442907 ABWCGOJGELXSEL-UHFFFAOYSA-N 449.479 2.327 30 10 IEEE C=CCC[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OCC 1158288449 MRNNATILPWZONN-JSRQGNBESA-N 438.521 2.188 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc43)n[nH]2)c1C 1159182907 SWHNMEZHILFWSN-OAHLLOKOSA-N 425.514 2.377 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)c1 1175924187 VLPHOHAMYQPHOZ-UHFFFAOYSA-N 449.536 2.063 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1211899911 LMSJCODZAGYHAJ-UHFFFAOYSA-N 437.562 2.364 30 10 IEEE N#Cc1ccc(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 1264770798 MDPPXYBBPFGKCC-UHFFFAOYSA-N 431.475 2.068 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1ccnc1C 1286378983 AXKNVMMSIUYERR-UHFFFAOYSA-N 446.603 2.307 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286384984 KZEZPQWBFXMDKG-MSOLQXFVSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286391143 CTLBEEGJBCKZFL-LEWJYISDSA-N 442.585 2.268 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1286480862 PQJIFEXOJDSFLK-RBUKOAKNSA-N 425.533 2.013 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(Cl)nc2)CC1 1286489991 JDYNGWYTHFRWJJ-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)CC)CC1 1286494364 MLDSMVJONVDRIO-DEOSSOPVSA-N 439.560 2.026 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1286516199 YHVBRLDGIFUIGO-UEVCKROQSA-N 431.581 2.032 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1286566126 MDFZBJBJPZRPNE-CDMIOBSGSA-N 438.532 2.410 30 10 IEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1286711381 KRFQJUKGURCPNB-IBGZPJMESA-N 449.577 2.280 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1286759261 AIORQJYQSDKXHJ-UHFFFAOYSA-N 443.515 2.337 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1286785493 MDCYRQVDEZFWHL-UHFFFAOYSA-N 444.543 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](COC)C1 1286823540 WARRSXSQQFLXKF-KRWDZBQOSA-N 443.573 2.424 30 10 IEEE C#CC[C@@]1(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)CCCN1C(=O)OC(C)(C)C 1287502027 OHAUOJKPJANQNB-QHCPKHFHSA-N 443.500 2.306 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 1290342060 BVZCGJVNTFMHQT-XXBNENTESA-N 428.533 2.421 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)s1 1295963639 USHINFNDFZPLIV-CQSZACIVSA-N 443.591 2.223 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1=O 1296120189 MQOSEXKPFPIHLU-FQEVSTJZSA-N 436.516 2.132 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(N(C)C)c(Br)cn2)cc1 1297981082 CJXFWIHILDBUJJ-UHFFFAOYSA-N 437.319 2.074 30 10 IEEE C=C[C@H](C)ONC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1300210630 JHIUMHHUSBBPOU-IIYDPXPESA-N 445.969 2.357 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1300402679 CTJWMABBOXGLCT-UHFFFAOYSA-N 433.516 2.312 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1300666146 XBLYJAGJVYDTCY-QHCPKHFHSA-N 446.555 2.500 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(SCC)c1 1300671104 BYPIPIHZRXRASL-GOSISDBHSA-N 448.614 2.427 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1300700432 PDYLEAWBOZDRRF-HXUWFJFHSA-N 436.560 2.324 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1300710178 VMEQFVHQCWVDBE-HSZRJFAPSA-N 438.601 2.112 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300975135 RHSBERIGSIIYMC-APWZRJJASA-N 434.562 2.148 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1301058863 JFIKAAGQKTZZFQ-UHFFFAOYSA-N 426.521 2.011 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1)C1CC1 1301315976 GGDIXPGTOCMNSO-QFIPXVFZSA-N 430.505 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(Cl)cc2C1 1301579413 RGJAFFKVUQRIFP-UHFFFAOYSA-N 446.964 2.496 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](C(F)F)N1CCOCC1 1301968652 OEOIIQOHNHGURT-IKGGRYGDSA-N 426.512 2.472 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1302993848 GUELBXMKQGOILE-DQRAZIAOSA-N 445.483 2.021 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCOC(C)(C)C 1303806841 GMJVWUJEDXKLDA-HNNXBMFYSA-N 434.566 2.211 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)OC 1304139715 VGHCRRKQWDOSBU-GAJHUEQPSA-N 442.516 2.391 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1cnnn1 1305522663 KBQXRYICMJKQEL-INIZCTEOSA-N 438.515 2.206 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1305793247 XPDYZJIGAMTAAC-KRWDZBQOSA-N 443.527 2.179 30 10 IEEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCN(CC)S(C)(=O)=O 1306227430 PWDFYCWKSKFILU-MOPGFXCFSA-N 430.578 2.256 30 10 IEEE CCOc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)c1 1314207563 ACLCWONZKNUPDE-KNQAVFIVSA-N 427.505 2.106 30 10 IEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1 1316359681 IFOKEHMFXZPIQN-UHFFFAOYSA-N 441.344 2.265 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCNC(=O)c2cc[nH]n2)c1 1316528993 LATFYAPQAQNHGU-INIZCTEOSA-N 440.458 2.451 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)ccc1F 1319478277 KDIJGBFZCLUHFD-MRXNPFEDSA-N 442.512 2.109 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1320907624 ABDNOVVAYGXQNS-JKSUJKDBSA-N 434.514 2.088 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)C1 1337693401 INBIDOPEEHCDBG-MRXNPFEDSA-N 442.497 2.486 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)c1 1354285444 IYYFEOGYHBGHEC-JHGYQWQCSA-N 432.546 2.134 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cnn(CC)c2Br)c(C#N)cn1CCOC 1355035074 AKEKEWHLLCOTPO-UHFFFAOYSA-N 438.282 2.414 30 10 IEEE COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1OCC(N)=O 1355291768 DEDSXMGRLOWWQX-ZDUSSCGKSA-N 442.859 2.076 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1358925392 CTSIMEHXOWHYJX-UHFFFAOYSA-N 438.557 2.477 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)c1ccc(F)cc1 1359018544 UCOBBEOPQHFUHY-IBGZPJMESA-N 429.496 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)nc1 1359025968 FTXBUKNIZJFOQZ-UHFFFAOYSA-N 431.500 2.055 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)CC1 1359164949 DDOZYRVGQCNPIZ-INIZCTEOSA-N 439.582 2.251 30 10 IEEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359237905 RJTFZTHKSOWRTQ-RYRKJORJSA-N 441.536 2.382 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@H](C)CCC 1359238344 IANJKFUOUOGJKF-MRXNPFEDSA-N 437.548 2.367 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1359294050 IVKJTUSTOFUKTC-CQSZACIVSA-N 439.969 2.160 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1359298016 JYJSVMPIWVNAJG-FQEVSTJZSA-N 444.543 2.312 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1359307794 VKWVAHQQQUCNGV-FUHWJXTLSA-N 434.562 2.264 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1440430046 BWAGHRRFVHJXTO-ZHACJKMWSA-N 443.481 2.175 30 10 IEEE Cc1c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nnn1-c1ccc(F)cc1 1461873194 YZTGZENSXISOMC-UHFFFAOYSA-N 428.449 2.159 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(OCC(F)(F)F)nc2)s1 1464185237 QAPPLCNRBWPMOW-UHFFFAOYSA-N 449.476 2.407 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1464996091 FVIIIBPAGVJLMM-OAHLLOKOSA-N 437.990 2.295 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)nn1 1469216581 YPISYDGBWUZGSX-UHFFFAOYSA-N 427.486 2.204 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1469536217 ZFFKMSDASVQQMH-MSOLQXFVSA-N 430.505 2.052 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CC1 1471233444 GTKXSKHEIZLDJS-NNIGNNQHSA-N 446.548 2.402 30 10 IEEE C#CCN1CCC(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 1471658711 YBDBHVQPHRWYFO-UHFFFAOYSA-N 441.572 2.342 30 10 IEEE COC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1504053560 CQFCFBDTIDXQRA-INIZCTEOSA-N 444.561 2.348 30 10 IEEE COC[C@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504593378 KIMNDORXUZHOOC-AEFFLSMTSA-N 444.511 2.123 30 10 IEEE COCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504800589 MKSKXKKIJGRBNK-LJQANCHMSA-N 425.537 2.192 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1507532147 BUWHQTADVHLOAK-WIYYLYMNSA-N 436.560 2.210 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)CCOC 1507661881 LWRSCNYUZOUOFV-LJQANCHMSA-N 434.338 2.286 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507791797 SIEXPEYMILSBNK-JONQDZQNSA-N 445.358 2.151 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1507800247 MMYJLMYXTMECBF-MJGOQNOKSA-N 425.537 2.173 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1507948821 VBVULZLQNHWYKW-QGZVFWFLSA-N 425.537 2.316 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1508079500 XOQQIAULECEJOR-QFIPXVFZSA-N 442.495 2.487 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1508085927 IOEBLYMBYMPBRX-ZYSHUDEJSA-N 438.532 2.128 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc([C@H](C)O)cc2)C1 1508107189 BDMCKWSNYIYLNV-PXNSSMCTSA-N 425.533 2.397 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1508166586 BNSJBKCCORXLBJ-LAUBAEHRSA-N 435.594 2.094 30 10 IEEE CC(F)(F)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1510131661 FMPPMRHUPBJFCF-KRWDZBQOSA-N 430.459 2.289 30 10 IEEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)s1 1511732454 FEONIKYQHOVJKP-MRXNPFEDSA-N 449.606 2.103 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513185222 AEUJNEAWDBNQSE-HNNXBMFYSA-N 425.537 2.316 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1514173900 QYYAVMGNLMMZGG-YUMLTWSLSA-N 446.577 2.030 30 10 IEEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1=O 1515880119 JZJPEOOSOSWZDQ-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccc(C#N)nc2)CC1 1537999692 ZIPADDOGXXFPDI-UHFFFAOYSA-N 443.485 2.234 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1539065235 CTQIVRHFWOGDBU-IAGOWNOFSA-N 439.516 2.104 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1539204158 ZHYWEQDLTREHQM-KURKYZTESA-N 430.578 2.192 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC1(C)C 1539409278 VFEXRARIDGCARD-MRXNPFEDSA-N 430.578 2.370 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1539599437 FLJGONLUKVAVHC-OLZOCXBDSA-N 433.372 2.093 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1540191500 MTASKDDVRXLYRQ-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1540861650 AOLPMCLTQBIXMP-GJZGRUSLSA-N 430.940 2.256 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCn1cccn1 1540865716 PTKNNQUSYDHXPY-UHFFFAOYSA-N 444.337 2.343 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 1543364810 XIYVVTJAXLWRJG-CQSZACIVSA-N 429.926 2.259 30 10 IEEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1546382360 NTQUSYKAFFWHCA-UGSOOPFHSA-N 437.595 2.086 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1554242169 CFBFZLZWPZCUJS-UWJYYQICSA-N 429.546 2.069 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1(C)C 1555184789 BMHNYFOJFQORIF-IBGZPJMESA-N 441.532 2.131 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1556797490 ZKJRUCAFNQZYMF-IBGZPJMESA-N 428.489 2.403 30 10 IEEE COc1nscc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1558565015 CVKLOIYPMZOUIN-UHFFFAOYSA-N 434.543 2.083 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 1558759324 ZWKDYYRWPDKBJV-JWRCQZCYSA-N 428.599 2.106 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(CC(=O)Nc3sccc3C#N)CC2)C1 1559972987 BQAKDERHYWDOKH-HNNXBMFYSA-N 432.546 2.213 30 10 IEEE CC(C)(C)OC(=O)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1570867001 RHCKCVVMFAYBGB-UHFFFAOYSA-N 430.486 2.104 30 10 IEEE C=CCn1cc(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)nn1 1585550490 RWCDHQYSWCJLAR-UHFFFAOYSA-N 431.452 2.199 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCS(C)(=O)=O 1587604264 UWXAAWKSZBEXQF-MRXNPFEDSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588034181 BLGOWBHZUKKRES-QZTJIDSGSA-N 438.594 2.209 30 10 IEEE C#CCN(c1nnc(COCC)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588074094 IPABIGZGDZYRSC-GUDVDZBRSA-N 438.594 2.037 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCC2)nc1 1588263191 QVMYGHAKZQFHLR-UHFFFAOYSA-N 430.516 2.428 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(NC(C)=O)c2)CC1 1588848768 NFBPHGKXRCKTIQ-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(OC)C1 1589567877 GMURGQFOSNBIEN-YJBOKZPZSA-N 431.562 2.476 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1595543891 AYTIBXDCGNRYBF-QGZVFWFLSA-N 428.493 2.061 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1595545271 UKWJNQGIHIKOLS-UHFFFAOYSA-N 438.580 2.478 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595659085 RTEWCKPFWIZJKH-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595812121 NQOLRJDWZYMGFA-UHFFFAOYSA-N 449.621 2.060 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCc2oncc2C1 1595823974 UQBSJFKXWNELLG-UHFFFAOYSA-N 443.529 2.051 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3(c4ccc(C#N)cc4)CCOCC3)C2=O)cc1 1596663883 SSVMBICLLSNTPT-DEOSSOPVSA-N 446.507 2.456 30 10 IEEE C[C@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)[C@@H]1C 1613041319 XSARYTQDNKSLHI-IAGOWNOFSA-N 431.562 2.458 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c1 1617570014 CHTNMDBKHGUOCC-FDDCHVKYSA-N 435.532 2.109 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1618172929 GWUSLBQCGYVEGP-QCFAMHMHSA-N 436.574 2.031 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@H](C)O1 1619753876 GFGIXWHRKNCPQL-QFBILLFUSA-N 429.521 2.130 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1620065725 ZCESWXHAZBOGKS-WMZHIEFXSA-N 441.532 2.112 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1624178452 VCRBPGXOCWHZNX-JOQOYGCGSA-N 433.892 2.039 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)OC)c(C#N)cn1CC 1625718005 HZJXGHDYVKEUAW-MRXNPFEDSA-N 446.435 2.438 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)cc1 1627848052 GOLACDQGMDEEIN-UHFFFAOYSA-N 436.917 2.207 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)s1 1630375390 CWSDUWYFTUZOOI-AWEZNQCLSA-N 434.461 2.022 30 10 IEEE CN(C)CCOc1cc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccn1 1633809271 FSQFBIRZYUFKBB-UHFFFAOYSA-N 426.496 2.065 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(Nc4cccc(C#N)c4)C3)CC2)cc1 1634260161 TYRXAVFDXKKMKJ-MDZDMXLPSA-N 445.523 2.095 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cs1)C(N)=O 1635421494 PSWZQYZLWXLNQW-OCCSQVGLSA-N 430.559 2.021 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)cc1 1635450785 JBVJNSJVDFHRTQ-IBGZPJMESA-N 427.482 2.239 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N[C@H]1Cc3ccc(C#N)cc3C1)N2C(=O)OC(C)(C)C 1636223865 GVHWERYQVMMIEK-VYJAJWGXSA-N 439.512 2.329 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 1636656971 NSCJCHNOTAUICP-UHFFFAOYSA-N 438.289 2.253 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CO)(c3ccccc3)CC2)s1 1636764101 KRPAPSKXCAZBAM-UHFFFAOYSA-N 434.583 2.308 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c1 1639883006 CHVPEJNLOMZPIR-OAHLLOKOSA-N 430.448 2.157 30 10 IEEE CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1nnc2n1CCC[C@H]2C(F)(F)F 1648320654 DMBCZTMSFIEPGF-OAHLLOKOSA-N 427.452 2.495 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 1665507010 OOWNVHYKKQTKDB-UHFFFAOYSA-N 435.546 2.117 30 10 IEEE COC(=O)[C@H](C)N(CC(F)F)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1666094026 DQUQZPKQWFAERS-ZETCQYMHSA-N 429.214 2.277 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 1671431135 BHZMWNFNWPEVKY-UHFFFAOYSA-N 431.514 2.287 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)CCO2)cc1 1679859817 BFPNCVJSYBLRSB-OAQYLSRUSA-N 440.525 2.381 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)nn1 1683483320 UTCDFWWPYAHHIP-MJGOQNOKSA-N 448.568 2.458 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 1684002936 XCSBNRMKOKIZQA-UHFFFAOYSA-N 433.512 2.007 30 10 IEEE N#C[C@@]12CN(C(=O)NCCc3c(C(F)(F)F)[nH]c4ccccc34)C[C@H]1CS(=O)(=O)C2 1684631500 OIAXTEVTKUGKAR-SGTLLEGYSA-N 440.447 2.309 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2occc2C)c1 1689870101 BNTLULYLOAVDPG-GOSISDBHSA-N 432.484 2.235 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1689941350 NGDOMZNDUJWNOF-KSZLIROESA-N 442.564 2.478 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC1CCOCC1 1689951401 WHCWORNEOZYLLI-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1690061485 ZHNPHBMKPVPXLE-IBGZPJMESA-N 442.507 2.221 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(CC)C(=O)C1 1690166201 XZRGWJKEOQJAPW-UHFFFAOYSA-N 443.573 2.387 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1690174360 BNIAIBBHRNXSJV-MRXNPFEDSA-N 434.562 2.248 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690174645 HGESDILRRGOIMX-QGZVFWFLSA-N 438.619 2.086 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1690252800 IZFKKBYYSTYXFR-GUXCAODWSA-N 429.496 2.289 30 10 IEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1690493776 SCBRTMWASJBVLB-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1690516560 MLUAHMPBDLRFNB-OAQYLSRUSA-N 434.562 2.415 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1690679005 IMSUBPIRLXHWPX-SFHVURJKSA-N 435.532 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSCC1 1690717627 LQHBNVJONKYTPB-UHFFFAOYSA-N 438.575 2.116 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC1CCOCC1 1690720422 IMZPSTJVMFZYCS-UHFFFAOYSA-N 448.545 2.137 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691561213 UCBOFMISMTUTMP-QRQCRPRQSA-N 426.521 2.114 30 10 IEEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1694107884 GCTJCVFNRHIQAM-SFHVURJKSA-N 434.552 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705478076 WHACTQUHCFGLFD-LZLYRXPVSA-N 449.552 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1705493101 CFMGOKGVBSHRTP-YLJYHZDGSA-N 434.544 2.362 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1705512827 QFTGMWFHRZQPCB-LJQANCHMSA-N 425.533 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1conc1COC 1705575264 DQQAJCWXJHPYBQ-UHFFFAOYSA-N 443.305 2.302 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705575297 FXJOQWWOHTUSEL-JXFKEZNVSA-N 444.333 2.447 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Br)ccc1OC 1705580058 CHKDOQZAWSTMCF-INIZCTEOSA-N 442.317 2.121 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1705584052 VMMMRXLVDVRMTA-OAQYLSRUSA-N 436.579 2.354 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1705675286 ZVLDFGXDTFEQQP-XMSQKQJNSA-N 433.622 2.437 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1705875798 GRJFGQDJPLPPFT-INIZCTEOSA-N 432.546 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705895841 UTFCYUWOPWYWON-OKILXGFUSA-N 433.354 2.441 30 10 IEEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1708241706 BMFXXWNHVOSGSM-RTBURBONSA-N 443.596 2.143 30 10 IEEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C[C@@H](C)O1 1708248834 HWAHBQOCHKKCSP-RTBURBONSA-N 440.548 2.065 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3ccnc32)CC1 1722575020 VYRGXRBSTYUSQX-NVXWUHKLSA-N 433.582 2.065 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC2CC2)CC1 1722576438 OMNKIJGAUGWIIF-UHFFFAOYSA-N 443.573 2.277 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCOCC1 1722673317 OLMCYQRFANDABG-UHFFFAOYSA-N 449.559 2.163 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722675001 VISYGZQHSMMSKL-UHFFFAOYSA-N 432.569 2.469 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722690167 AFWIIKIPDNNNNM-IEBWSBKVSA-N 439.564 2.203 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cnn(C)c1C 1722695086 SFHGEPYZBUGSDX-UHFFFAOYSA-N 430.516 2.474 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2c(ccnc2O)C1 1722701788 DPSLTEPJYFUEGY-UHFFFAOYSA-N 448.527 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(CC)CC)CC1 1722728446 WGKLSFZGNHNFNV-IBGZPJMESA-N 439.626 2.431 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722738708 NZWQHPGYMQNNDO-IRXDYDNUSA-N 440.577 2.078 30 10 IEEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729140235 YGFQPNVSKJCMQX-HXUWFJFHSA-N 438.532 2.277 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740566971 LWJVRWLACKKPCB-MOPGFXCFSA-N 436.626 2.004 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1740593820 REOAAEKYIKOFIR-UHFFFAOYSA-N 430.578 2.026 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625129 OEUJMLVMQSNZEB-SFHVURJKSA-N 433.603 2.451 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740625889 TUFRRXDGGOCNNR-IBGZPJMESA-N 434.606 2.454 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1740640222 YVPDJTSGTAOOBA-NRFANRHFSA-N 444.539 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)COC1 1740646192 RTVAYEUXIWTQHC-UHFFFAOYSA-N 425.920 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)NCC(F)F 1740649007 MHYUYSDRXFKKLM-OAHLLOKOSA-N 433.434 2.401 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(OC)nc2OC)CC1 1740701850 DQSKAAFUKUOSGB-INIZCTEOSA-N 440.548 2.218 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccs2)CC1 1740715976 RBOYCXDENUZLNY-UHFFFAOYSA-N 427.603 2.429 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1740730480 ABTXYQOLVLAKAW-DENIHFKCSA-N 443.573 2.468 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740790812 OAKXZIHFXOHHPN-UHFFFAOYSA-N 448.593 2.183 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(N)=O)nc1 1740916854 ZEWVXIZYGUMGKV-HXUWFJFHSA-N 443.511 2.388 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740958335 NKAUUNCJXULJFJ-BEFAXECRSA-N 445.486 2.352 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)C1 1741987546 FQLNRENESKKXKU-JOCHJYFZSA-N 430.553 2.116 30 10 IEEE CCOCCN(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1747340143 GCBXMSUKYJAZTE-ZZEZOPTASA-N 428.468 2.083 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 1748751046 BEDHSHBPJDDNRW-KRWDZBQOSA-N 432.546 2.117 30 10 IEEE C#CCCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748764054 GTWWFCCCWMCSPH-HSZRJFAPSA-N 431.581 2.427 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748821548 RHXWVMUADLLXKA-HOJAQTOUSA-N 442.585 2.355 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1748991044 PCAOUXYLIMWTIH-HXUWFJFHSA-N 436.560 2.183 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749175269 BGORILDUUJVUQF-HOCLYGCPSA-N 427.505 2.262 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749356202 MRTRTHGSXPZJJO-QZTJIDSGSA-N 435.525 2.205 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749367576 MVWUSAHETNNUEO-QZTJIDSGSA-N 446.502 2.494 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1749465242 AZASWYNCVULHPS-FQEVSTJZSA-N 426.583 2.298 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](C(=O)OC)C1 1749725611 SSPFFSNHVUVXKP-OALUTQOASA-N 446.573 2.420 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1750048572 PWRZAHQXEMMHSJ-INIZCTEOSA-N 426.521 2.259 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ncnn1-c1ccccc1 1750113457 PQNKSNXQWPLEPZ-ZWOKBUDYSA-N 436.520 2.369 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1750739173 KIFSNYKJRQBGFA-INIZCTEOSA-N 434.566 2.097 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)c2occc2C)n1 1751623123 FDJPAAWJZGGHKO-QGZVFWFLSA-N 435.488 2.099 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760154602 GVGMRTQOPYLKPQ-IAGOWNOFSA-N 447.536 2.176 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760184475 ISGXUGGMIIIXIF-HXUWFJFHSA-N 441.557 2.259 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1OCC[C@H]1C 1760240306 NCJXTHDRDUQCIZ-JTDSTZFVSA-N 449.552 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(C)CC2)CC1 1760264999 KILMRVZVMQCLIA-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1760456422 OOHJTZKGRJRTTQ-FUHWJXTLSA-N 449.577 2.035 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1)C1CC1 1760469242 AAHZULSTDYGAMV-NRFANRHFSA-N 432.546 2.309 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)c1 1760502965 SRVOGVQHSYPIMT-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1760552993 ISCPUTIRHQTJGZ-UHFFFAOYSA-N 438.557 2.268 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCc2ccccc21 1761356347 FMVLQSZALWMADU-HJPURHCSSA-N 431.500 2.498 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1764568354 FMQBBNSQHOYZNH-SBUREZEXSA-N 438.532 2.117 30 10 IEEE CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1764947330 BSZKWPKVPPWPES-XUTLUUPISA-N 440.504 2.335 30 10 IEEE CCN(CC)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1765015713 GGIBEMAMCKQQFD-INIZCTEOSA-N 436.520 2.055 30 10 IEEE CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1766186177 BLPMWNDQLVNQNU-KXBFYZLASA-N 426.587 2.081 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1766586132 ABQNPBMZKSDQHV-PXNSSMCTSA-N 436.564 2.103 30 10 IEEE CCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1766590726 CJIJLVGCRAYBOA-IRXDYDNUSA-N 434.541 2.158 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2c(F)cccc2F)CCOC1 1767481740 DLGDOBLJNLGRFU-VFNWGFHPSA-N 433.459 2.180 30 10 IEEE CCOCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767744410 SYAVGOPHCHADCG-UHFFFAOYSA-N 441.536 2.014 30 10 IEEE COCC1(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1770826533 KJYUXQVXDGBDFW-PGRDOPGGSA-N 433.553 2.254 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1771267827 XZZJWSCAOQGPFB-VQTJNVASSA-N 438.532 2.117 30 10 IEEE O=C(O)COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)cc1 1772718926 WQBZGBPAZKXPAA-INIZCTEOSA-N 444.444 2.239 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1C#N 1851417458 YOKDJQIHJNHSGN-UXHICEINSA-N 433.512 2.491 30 10 IEEE O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851512146 VDPVEHAKJWNKQT-CQSZACIVSA-N 443.447 2.399 30 10 IEEE C=CCOC(=O)[C@H](NC(=O)[C@@H]1CCN(C)C1)c1ccccc1I 1852714391 KXRCAMGJATTWJJ-IUODEOHRSA-N 428.270 2.129 30 10 IEEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1C 1853405386 KNRHAHTWBWBDJG-UHFFFAOYSA-N 438.454 2.123 30 10 IEEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854646183 VXNVBNMRFGCGJX-HNNXBMFYSA-N 427.482 2.019 30 10 IEEE C=CCCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1854683339 WJNSFYFBTOFIIM-IRXDYDNUSA-N 439.603 2.174 30 10 IEEE C[C@H](CCC#N)N1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C(=O)C1(C)C 1856720319 NSKURDIYFWMHGX-CYBMUJFWSA-N 427.473 2.438 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2csc3cnccc23)C1)[C@H]1CCN(C)C1=O 1857042916 HJZORZXIEIKRBV-YJBOKZPZSA-N 426.542 2.394 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccc(Cl)cc2)C1)[C@@H]1CCN(C)C1=O 1857045341 KSHFXBFHAHBYCC-QFBILLFUSA-N 433.936 2.203 30 10 IEEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(=O)cc1C(=O)O 1857896974 XECFXFPKMNCRKW-LBPRGKRZSA-N 445.497 2.268 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862703961 NKDHLJWMTVLMCI-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C)nn2CCC 1864318690 CFUDNULJNAJQEX-IBGZPJMESA-N 426.517 2.360 30 10 IEEE CN1CCC(=NC(=O)c2cc(O)c3cc(I)cc(F)c3n2)NC1=O 1866530849 OASANTVTENNWIE-UHFFFAOYSA-N 442.188 2.268 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCc2ccccc2C1 1870542395 SJCDTWXATUWICK-QFIPXVFZSA-N 437.540 2.267 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc3c[nH]nc3c2)cc1=O 1871009036 ADVFGOBYJCGPEU-UHFFFAOYSA-N 437.481 2.044 30 10 IEEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1 1874295001 DZNRCFXNCUKSHQ-UFFVCSGVSA-N 426.458 2.251 30 10 IEEE COc1ccc(/C=N/n2c(CCc3ccccc3OC)nnc2SCC(N)=O)cc1O 1874313284 MTRKEYNEUNHBJK-FSJBWODESA-N 441.513 2.246 30 10 IEEE CCOc1cc(/C=N/n2c(CC)nnc2SCCO)ccc1OCC(=O)N(CC)CC 1874527697 AXWRPMRMCVAGBA-HYARGMPZSA-N 449.577 2.453 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cs1 1889936577 CFLXZHMGMOURDP-CQSZACIVSA-N 439.946 2.401 30 10 IEEE CN(CC#CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Cc1ccccc1 1890897386 JENZSFCOHZILDE-HXUWFJFHSA-N 433.508 2.062 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)c([N+](=O)[O-])c3)CC2)CC1 1891246426 MSHSKAOAWHUZCO-UHFFFAOYSA-N 446.523 2.385 30 10 IEEE Cc1nc(I)c(I)n1-c1nnccc1C#N 1936387177 CFATWKKNUKBOQA-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](OC)C[C@]1(C)CNC(=O)OC(C)(C)C 2006263145 MESOVBCJGLGIBS-IUODEOHRSA-N 427.361 2.229 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010227361 NDJCHCBEROYRLE-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCCn2cc(I)cn2)C1 2020888372 JQVNRHXLHRVPPU-UHFFFAOYSA-N 446.289 2.217 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)CO2 2054336774 HWPHSXIYRXSALS-CYBMUJFWSA-N 439.372 2.373 30 10 IEEE CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2064340817 AGPIJGQXBSYZLH-KRWDZBQOSA-N 434.342 2.224 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)c3sccc3Br)nc2)OC1(C)C 2102372897 AMZHAKAKYPVOBD-UHFFFAOYSA-N 446.157 2.401 30 10 IEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539553 XBUQEKWXMDOAEX-GOSISDBHSA-N 447.385 2.057 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)nn1 2231049913 SZJUEHUYBFDQPE-INIZCTEOSA-N 449.361 2.466 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247837574 UVQBXIONSUGQHA-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255627316 QWPCRHJANWLFNI-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2255631852 FRTFXTBEYAIZDD-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)ns2)OC1(C)C 2255635750 KWICREMYRCRYJH-NSHDSACASA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638241 MEKAYRFASDOCLH-UMVBOHGHSA-N 449.382 2.428 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638558 KZUYTSXTPGCMNV-WDEREUQCSA-N 447.288 2.114 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255654266 USRPVYXPKYVMLI-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255697407 HIDDUAJJHQTTIT-AWEZNQCLSA-N 434.346 2.199 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@@H](OCc4ccccc4)C3)c2)OC1(C)C 2255949827 BLDRHSOFIASEPP-LJQANCHMSA-N 444.362 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2260105305 HJJYYXPRACXDFL-UHFFFAOYSA-N 446.300 2.346 30 10 IEEE Cn1ncc(C(=O)N2CCCN(Cc3ccccc3)CCC2)c1B1OC(C)(C)C(C)(C)O1 2267002753 FLIWZDNIKLUMIJ-UHFFFAOYSA-N 438.381 2.458 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502917 VFYOJPKJBZQCCL-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCCO1 2267567516 CKQANEQXVRWWBJ-MRXNPFEDSA-N 449.357 2.070 30 10 IEEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267877228 RVWHDNLCJGWANQ-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@H](N)C#Cc1cccc(Br)c1 2278735710 RXARXZGZGPSPNE-CVEARBPZSA-N 443.363 2.066 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2315646189 YKQCVBXAWLOSRF-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2315691120 RBEHAEDGFONNIA-UHFFFAOYSA-N 449.382 2.381 30 10 IEEE CCOc1cc(C=NNS(=O)(=O)c2cc(OC)ccc2OC)cc([N+](=O)[O-])c1O 2323375007 IMXJCEHLWHYNNC-UHFFFAOYSA-N 425.419 2.029 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 15152351 YEMNHDLGLBSJFZ-UHFFFAOYSA-N 425.825 2.054 30 10 IEEE C=CCC(O)(CC=C)CNCc1ccc(OC)c(OC[C@@H](O)CN2CCCN(C)CC2)c1 20206076 XAHTWWJTCJJPQJ-QFIPXVFZSA-N 447.620 2.045 30 10 IEEE C=CCOC[C@@H](O)CN(Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)CC(C)C 36207170 SMKLVZXDOSKTSW-HNNXBMFYSA-N 437.562 2.491 30 10 IEEE CSCC[C@H](C(=O)Nc1c(C#N)cnn1-c1ccccn1)N1C(=O)c2ccccc2C1=O 170498121 KOJZOGDANODMGV-QGZVFWFLSA-N 446.492 2.495 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 410268587 BQNCWDSFRUOCBN-GOSISDBHSA-N 441.557 2.431 30 10 IEEE C[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccc(S(=O)(=O)N(C)C)cc1 438237939 JGTLULOMQUTWSC-HNNXBMFYSA-N 438.513 2.191 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CSc2nnnn2Cc2ccccc2)CC1 502844575 AZCJIDJJNOMKTA-KRWDZBQOSA-N 439.570 2.284 30 10 IEEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508863012 ILEWXNHZLUDOMC-KRWDZBQOSA-N 437.566 2.218 30 10 IEEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 508918878 FXSWFHIWIDEAPU-HNNXBMFYSA-N 435.475 2.429 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c1 512421002 PAYKNUNLDLOPQA-QHCPKHFHSA-N 438.597 2.224 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)cc2C1=O 516829270 HFBGTWNSHSWKQJ-IBGZPJMESA-N 447.491 2.307 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)CC2)o1 526983690 SFRBHDZUEAKZER-HZPDHXFCSA-N 438.532 2.396 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Br)n2CC)CC1 549396232 GMZWFKYEAYEVEX-UHFFFAOYSA-N 433.354 2.152 30 10 IEEE COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)c1 586393779 HGBCJHOMZSKDGJ-UHFFFAOYSA-N 438.440 2.090 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cn2)C[C@@H](C)O1 608924955 DEACNUHPXSEMFL-HZPDHXFCSA-N 431.500 2.265 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 609671140 BDJKPJFGMBGTIJ-FQEVSTJZSA-N 442.516 2.199 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCN(C3CC3)CC2)C1=O 730139503 BUIVPILDWNPRFR-HXUWFJFHSA-N 443.617 2.313 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CCN1C1CC1 732665383 ZKZZXVKTWLLBGY-SFHVURJKSA-N 444.582 2.081 30 10 IEEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccccc2)c1=O 748064099 JQCJPBRQSXILLU-UHFFFAOYSA-N 432.549 2.181 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)c1 749254141 MYBFHNOEWSYUCG-UHFFFAOYSA-N 435.528 2.158 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 749524662 XWIWEVGNMKIHSW-MRXNPFEDSA-N 449.573 2.476 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cc(C)ccc2C)C1 760301842 NYMKGCRYIGPGHP-NVXWUHKLSA-N 431.562 2.175 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 762626560 VBAJZKVFAFGBAR-UHFFFAOYSA-N 446.428 2.489 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782474257 HHFFKRNMKGLEDA-UHFFFAOYSA-N 430.549 2.474 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCC(F)(F)F)C(=O)N1CC(=O)NC1CC1 782816918 YCLVWOANDBJDNK-CQSZACIVSA-N 442.463 2.274 30 10 IEEE CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc(S(N)(=O)=O)cc1C#N 785760131 BHROQYLVTLIDRO-CYBMUJFWSA-N 429.420 2.101 30 10 IEEE C#CCn1ccc(CN(CCOC)c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)n1 788558801 OERMWBTXNBWMIX-UHFFFAOYSA-N 442.863 2.277 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)CCCN1C(=O)OC(C)(C)C 790258988 CXDFVNLARCVYSV-FDDCHVKYSA-N 436.597 2.391 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nnn(Cc2ccc(F)cc2F)c1C 791812989 UCYFINWPQYKMEJ-UHFFFAOYSA-N 431.424 2.212 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1 798080872 ACGNRYSFXGPCFZ-HLLBOEOZSA-N 435.546 2.132 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ncc3n2CCCC3)C1 800353125 PWWUJBXBHFJYKT-INIZCTEOSA-N 441.557 2.054 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812269841 VHXIUUSPBHBSTE-ROUUACIJSA-N 432.521 2.198 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(F)cc1 812875279 PRMYLUVEDRGRCR-CTNGQTDRSA-N 445.516 2.457 30 10 IEEE COCc1nc(Cl)cc(NN=C(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 814975196 XFPPJPSJSKGWGY-UHFFFAOYSA-N 439.925 2.133 30 10 IEEE Cn1ncc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1I 815983489 DVTWTMIBFBLYON-UHFFFAOYSA-N 449.296 2.313 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1C[C@@H]1CCCO1 837818062 BMCIKIHRIAUATR-ZDUSSCGKSA-N 434.290 2.017 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 911566436 DQQKHHJZSLYAFN-XBILXKOZSA-N 431.533 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)C1 1153865212 CZKJWKDOIVQBJW-RVKKMQEKSA-N 430.480 2.444 30 10 IEEE O=C(NCc1ccc(F)cc1)C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1167921584 VUSVTTIDISCCBV-UHFFFAOYSA-N 433.483 2.454 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1192468890 RPIGTCRMLGHWGP-MJGOQNOKSA-N 442.603 2.429 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OCC 1193572347 BWIAIHDMOWXBCF-QMMMGPOBSA-N 436.360 2.158 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3c4ccccc4OC[C@H]3F)CC2)cc1 1248656644 MAELZZJEBCYIEX-UYAOXDASSA-N 444.488 2.046 30 10 IEEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1 1274561810 AIQLHWOVNKXFAM-HXUWFJFHSA-N 427.526 2.448 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286349470 XUXKYCOXTKAINX-INIZCTEOSA-N 426.521 2.160 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286386155 VQPLCGCUHMBCQU-QZTJIDSGSA-N 430.578 2.316 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1286508386 LGRWBGPDXFDYBY-HSZRJFAPSA-N 442.585 2.434 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1286629274 BLJGRAWELPZKLZ-UHFFFAOYSA-N 445.923 2.371 30 10 IEEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1286705445 BGMUNIKQUVDUPW-UHFFFAOYSA-N 433.578 2.467 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1286788683 BYNYQLJZKPHHAE-JOCHJYFZSA-N 445.571 2.277 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(C)C)C1 1286791457 ZVDPDUXVCGMLQC-MRXNPFEDSA-N 430.578 2.444 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C(N)=O)nc2)C1 1286811673 DNUODMMVOYKSRO-FQEVSTJZSA-N 448.527 2.489 30 10 IEEE CC(C)(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1287045178 JJDWZIAYLSIAII-CQSZACIVSA-N 432.475 2.181 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1287911255 GVJVRPMOEHSJEK-NRFANRHFSA-N 437.592 2.315 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)ccc1F 1289504197 MYLSFJTWWLMKGB-UHFFFAOYSA-N 433.440 2.390 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 1290725185 HMRKCYHBLWULOQ-UHFFFAOYSA-N 426.489 2.104 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)[C@H](C#N)C1 1294435941 KFLLKNOJENULGX-OAHLLOKOSA-N 427.505 2.418 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCOC1 1296534817 ABAZBHYOHUDVIG-GOTSBHOMSA-N 441.532 2.244 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1297586435 JMCXLKHZWHPTAB-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1 1297954014 CFRSBMHSNNRNFU-FQEVSTJZSA-N 438.580 2.346 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 1298839699 RPWAOAGBNPIVSN-AEFFLSMTSA-N 443.610 2.202 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CN2CCOCC2)CC1 1300381568 HCAGTSJSBHBCDW-VXKWHMMOSA-N 445.608 2.354 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1300431341 FXMBNWSGOSFKJS-JOCHJYFZSA-N 430.505 2.074 30 10 IEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300488420 DTYPEMUECBSYDW-FUHWJXTLSA-N 439.541 2.155 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc(OC)nc2ccccc12 1300664609 RTKRAWDSTNSQDS-UHFFFAOYSA-N 429.484 2.426 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1300684547 YPCCPTLSFDPFTG-IERDGZPVSA-N 445.545 2.113 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC=CCO2)CC1 1300684887 CBZUZUIVGDJZAT-KRWDZBQOSA-N 445.365 2.146 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1300752264 YBPWPTBBNAQBQQ-MRXNPFEDSA-N 443.573 2.386 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCOC)cc1 1300813093 AAJUBOFJQSARON-XMMPIXPASA-N 437.544 2.466 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1300823297 BSSLNBAHBIUMOO-AWEZNQCLSA-N 441.374 2.068 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300883743 FIYZCXHTGHDNMK-QYZOEREBSA-N 446.596 2.393 30 10 IEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)C1 1301175846 KIYMJWVUVXOWOX-UHFFFAOYSA-N 445.593 2.181 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)c1cc(OC)cc(OC)c1 1301509865 ORDOJYHQUMKRHL-UHFFFAOYSA-N 439.520 2.227 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@@]1(OCC)CCOC1 1301517701 BANWAZFOKVGWRF-JOCHJYFZSA-N 445.951 2.449 30 10 IEEE COCCOCCn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1302222513 AXSMIYLMTMHFLW-UHFFFAOYSA-N 449.559 2.140 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC 1303687767 RWBAPSYJWHXVJS-CRAIPNDOSA-N 426.510 2.241 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CC3)C[C@H](O)CCO4)C2)C1 1303971276 QBVWXYGRXDNQMK-NYXBAERPSA-N 433.549 2.306 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1310863163 GWJOPFFTSIWQNC-UHFFFAOYSA-N 433.266 2.409 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1313096417 ATCUKWWAQSUVIW-IRXDYDNUSA-N 437.537 2.047 30 10 IEEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(C#N)C2)C1 1314267205 UWBUOOOMUSLKMC-HUOBRTPQSA-N 433.553 2.062 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CN1CC(=O)N(C)C1=O)c1ccc2c(c1)OCO2 1353974153 BRYCZCXQYGRWGL-UHFFFAOYSA-N 437.452 2.407 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCc1ccco1 1358997698 AXEOEEFVXSKAMM-UHFFFAOYSA-N 435.459 2.369 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1359007557 NDHRMCOKQSCUFE-HKBQPEDESA-N 440.573 2.464 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1359056808 LYASMZZIHBWYRK-SFHVURJKSA-N 427.574 2.484 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359229083 XVJHEZNZQUSZEV-UHFFFAOYSA-N 436.516 2.412 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359301170 UGPWMHXNNKLPHS-UHFFFAOYSA-N 430.597 2.398 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)C1 1359313818 RQBAPHRTNKFBRT-PNCHPQGNSA-N 447.580 2.015 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)N(C)C)C1 1359319982 JXQNVCQSZNWAFB-QUCCMNQESA-N 440.596 2.184 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(C)(C)C)C1 1359336185 HRGAJUFRZVAQPG-BZSNNMDCSA-N 440.610 2.475 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)[C@@H](C)C1 1359386914 RBNMKXWRFOUZNK-KBXCAEBGSA-N 430.459 2.298 30 10 IEEE CN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1cc(C#N)ccn1 1435931519 XNRNOSGAFPHUQP-UHFFFAOYSA-N 430.394 2.289 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3cc(C#N)cc(C)n3)C3CC3)C2=O)cc1 1437529859 ZDQQJABHGWAEID-QHCPKHFHSA-N 433.468 2.233 30 10 IEEE C=CCOCCCC(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1437810954 LAAUXXXDKMDNIJ-MSOLQXFVSA-N 437.537 2.400 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1Br 1439727456 PYQOLQZHYNJMSL-UHFFFAOYSA-N 428.304 2.331 30 10 IEEE CC(C)CN(CC1CCN(C)CC1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1455084971 KLRVYZRTYQHRES-KRWDZBQOSA-N 434.606 2.330 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 1465259096 LRJYABFRCQRPIT-QGZVFWFLSA-N 448.467 2.168 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1c(F)cccc1NS(C)(=O)=O 1465794461 ISBIQHKLNLHXBD-INIZCTEOSA-N 442.513 2.401 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NOc2cccc(C#N)c2)C1=O 1471085977 PFDQHCQLHPRWBN-IBGZPJMESA-N 443.257 2.198 30 10 IEEE CCOc1ccc(-c2nc(C)c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)s2)cc1 1472369279 BPCIDRMVNFTABA-UHFFFAOYSA-N 437.481 2.348 30 10 IEEE CCN(CCC#N)S(=O)(=O)NCc1c(Br)cncc1Br 1475315794 DMDJXNUQHFRMSP-UHFFFAOYSA-N 426.134 2.177 30 10 IEEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 1478219650 HZCVLFUATQSJCG-JFIBYHEFSA-N 439.438 2.496 30 10 IEEE CCOC(=O)c1ccc(N2CC(NC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)C2)nc1 1478422177 HCUDRIGEXHWVAA-FQEVSTJZSA-N 435.484 2.102 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1503651309 VDIRUXXUYXBAOV-DYESRHJHSA-N 448.522 2.165 30 10 IEEE COCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504821220 QVVJSIGEVTZEAG-FQEVSTJZSA-N 437.548 2.360 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1505003146 YFNWOBIKSOVJCB-GPMSIDNRSA-N 433.484 2.337 30 10 IEEE CSCCCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505238145 IEKUWPMTELBFFP-UHFFFAOYSA-N 443.577 2.485 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCC(C)C 1507647382 CXVPSMBCHAYIBD-VWLOTQADSA-N 446.555 2.452 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccccn1 1507652329 GZTZGWJQKRJJAX-UHFFFAOYSA-N 437.507 2.385 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508081800 PGHZQOXQKUQYKZ-OAHLLOKOSA-N 444.511 2.490 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)cc1 1508091835 OAKGFCYBEWMADH-UHFFFAOYSA-N 442.520 2.347 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 1508097245 GRDNYAZVMBWIRT-NLWGTHIKSA-N 430.597 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2OC)CC1 1508143472 LJLWLRYBYRGKEG-UHFFFAOYSA-N 445.589 2.167 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C[C@@H](C)O1 1512499457 NOWNSPZXCDNOJQ-QZTJIDSGSA-N 442.589 2.391 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnnn2C)cc1 1516301976 FZCBIONTFZEHKL-QVKFZJNVSA-N 440.483 2.436 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1527787520 LRFDQUXQHNSPEQ-IBGZPJMESA-N 434.558 2.032 30 10 IEEE CCc1ccc(C(=O)N2Cc3cccc(C#N)c3C2)cc1S(=O)(=O)N1CCOCC1 1530931927 SIMXRVNEEZEOBG-UHFFFAOYSA-N 425.510 2.298 30 10 IEEE Cn1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(-c2ccc(C#N)cc2)n1 1538243334 XLVSFGAVVJDHOZ-DEOSSOPVSA-N 442.479 2.042 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1CCCO[C@@H](C)C1 1539194721 FYTKTUBMCLTYTF-IBGZPJMESA-N 427.549 2.436 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCS(=O)(=O)CC2)CC1 1539855800 HPOKVRLQBLDNSQ-UHFFFAOYSA-N 449.602 2.251 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1541710189 FMMPICDXUWRATR-ROUUACIJSA-N 428.562 2.237 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccnc(C(F)(F)F)c1 1541907885 GKRIJMYCCNJVRV-RYUDHWBXSA-N 445.471 2.089 30 10 IEEE Cn1cc(I)c(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)n1 1545084984 NZDJLIORQLRUMD-INIZCTEOSA-N 435.269 2.182 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2coc3c2C(=O)NCCC3)n1 1546216270 MFGICELQVTVYJZ-UHFFFAOYSA-N 430.515 2.321 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](COC)C1 1547320059 FLCIFFNERFFWMP-IBGZPJMESA-N 440.548 2.460 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CC1 1547772280 XYKBSAAQAXIQRR-UHFFFAOYSA-N 447.490 2.340 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br 1554470869 AURLDYNIAMMUKH-UHFFFAOYSA-N 427.253 2.377 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)CC1 1557601839 AVKCQZZOOXXIPJ-UHFFFAOYSA-N 442.537 2.116 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(CC#N)cc4)C3)[C@@H]2C1 1558067106 ZUMZSHTXYOEMJG-QRVBRYPASA-N 440.500 2.407 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCn1nnc(Cc2cccc(Br)c2)n1 1559390244 JGZPFXCUFWTJCR-UHFFFAOYSA-N 436.269 2.326 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559993281 UHRDCSUNHBOEJU-PZJWPPBQSA-N 435.590 2.048 30 10 IEEE C#C[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1564722407 UHKHMXLRCVBANB-AWEZNQCLSA-N 428.352 2.091 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588059652 RJYYTWQEMJLDQD-VQTJNVASSA-N 429.590 2.079 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCOc2ccc(F)cc2)CC1 1588733141 OFFYGNMBMJKRND-UHFFFAOYSA-N 442.539 2.170 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)COCc2ccccc2)CC1 1588733286 QOLSIEQAJOXZPZ-HXUWFJFHSA-N 438.576 2.024 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(CC)CC)N(C)C)CC1 1588865388 WLQALHWNEAWSST-JOCHJYFZSA-N 440.640 2.261 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593650267 SYDAFRWGDUUSAN-UHFFFAOYSA-N 440.548 2.028 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1593695213 CLFJQIYEEDPQFZ-WMZOPIPTSA-N 444.511 2.364 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1593907998 DRUOPJUFQZVUFV-UHFFFAOYSA-N 433.925 2.500 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1594520647 BEIVSZMEHZBJAM-UHFFFAOYSA-N 442.543 2.259 30 10 IEEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594709045 GZMSXYMIWDTDPF-UHFFFAOYSA-N 428.512 2.224 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccon1 1594807560 RTYCMXVNNSVDSM-UHFFFAOYSA-N 435.488 2.409 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)CC[C@@H]1C 1595545335 VRMBMJONZBLPSY-MSOLQXFVSA-N 438.580 2.379 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1595705843 FQCVXKSNBAHLCB-OALUTQOASA-N 448.518 2.477 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1 1595751293 HGSTWTXHACWKTC-UHFFFAOYSA-N 445.928 2.326 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1595758649 BFPHTZNKSALFSH-UHFFFAOYSA-N 440.639 2.006 30 10 IEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1595858087 XPVJXUXFXOSGSZ-UHFFFAOYSA-N 446.511 2.359 30 10 IEEE COC(=O)[C@H](CCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)NC(=O)OCc1ccccc1 1597704996 KMMWLNLMEWSSAU-RTWAWAEBSA-N 435.480 2.390 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCn2nc(C(F)(F)F)cc2C)ccc1F 1597889148 OSCREVFVRMQYMN-UHFFFAOYSA-N 434.415 2.244 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1598195101 GYVMHPVCSNOZAS-VQTJNVASSA-N 435.525 2.198 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO)C1CCC2(CC1)OCCO2 1617729376 QOXIIODMFCPVPW-UHFFFAOYSA-N 441.532 2.338 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)OC(C)(C)C 1618762588 UIITTYAMYAEVDO-UHFFFAOYSA-N 441.536 2.304 30 10 IEEE COc1cccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1619377505 ZHXZTHKNRSIEPZ-SJORKVTESA-N 447.561 2.396 30 10 IEEE C#CCCNC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1629028149 YEQLGZPUJWWLDO-UHFFFAOYSA-N 444.273 2.102 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1629999745 HVNXADQQFOTYMF-IBGZPJMESA-N 436.597 2.249 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)CC2)c1C#N 1634181200 FJGJECLUINYMMA-RYRKJORJSA-N 428.537 2.037 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)c3ccc(Br)s3)C2=O)cc1 1635701316 ODXAMLYSBQJENG-ZDUSSCGKSA-N 432.299 2.482 30 10 IEEE CC(C)O[C@@]1(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCOC1 1638599620 POEVFSFFJODJMR-HSZRJFAPSA-N 438.532 2.364 30 10 IEEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1640183990 DMSIAYIWESKLHO-UHFFFAOYSA-N 428.505 2.161 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3n[nH]c(C)c3I)cc2C1=O 1640252408 YFORUIPDJOHDBX-UHFFFAOYSA-N 436.209 2.357 30 10 IEEE COc1ccc(C(=O)N2CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)c2ccccc12 1641524612 KKIZYSOJQJOFDA-LJQANCHMSA-N 425.485 2.197 30 10 IEEE CN(C)CCN(C)CCCN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1642073551 VHPWDJHGOCODMY-FVRICEFQSA-N 435.613 2.115 30 10 IEEE C#CCN(CC(=O)NCc1ccc2c(c1)OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 1644501038 NONMKALIPNSMJR-UHFFFAOYSA-N 429.517 2.366 30 10 IEEE C=CC[C@@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1648409422 IREQVQYKCXKPQV-LJQANCHMSA-N 433.574 2.094 30 10 IEEE CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1655341687 URHKWCSJFZZCCC-IRXDYDNUSA-N 439.516 2.383 30 10 IEEE CS(=O)(=O)CC1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1664100427 GRFFKUFLUOSIPQ-UHFFFAOYSA-N 435.365 2.202 30 10 IEEE C=CCN1CCC(NC(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1668511361 YXBQZRWTDGGARF-KRWDZBQOSA-N 430.553 2.224 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)n1 1674535736 RECXNMNQUQKYRV-UHFFFAOYSA-N 447.543 2.409 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)C2)nc1 1685867406 MZIMSIRISGNUAG-UXHICEINSA-N 433.516 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1689831630 OFFSFRHMEAHCKB-NTKDMRAZSA-N 439.560 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccco1 1689846244 HZIBURDLQRXFQO-BTYIYWSLSA-N 442.545 2.197 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 1690536359 UOGKFWQXDKDPJO-KRWDZBQOSA-N 440.523 2.152 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1697606210 JFSIABFPWPNSMD-WAIKUNEKSA-N 438.532 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1705647821 KSSVJSMCYCGZSM-LEWJYISDSA-N 442.608 2.012 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C(C)C)C1 1705905673 CSYYBKPCMOGLPZ-GOSISDBHSA-N 439.589 2.397 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(=O)NC)c2)C1 1705921866 ARSFPCZJKMYECN-LJQANCHMSA-N 433.516 2.119 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705945569 NOYNOPPNLSFLOI-PMACEKPBSA-N 434.654 2.306 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1711216511 YMOHZDCNFDTZCI-UHFFFAOYSA-N 430.472 2.059 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1711588551 GRQFHBABYNBQAE-PBHICJAKSA-N 429.443 2.402 30 10 IEEE COc1ccc(COCCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)cc1 1711858834 MXUCBGMEJZRFGC-UHFFFAOYSA-N 426.521 2.382 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1712051277 GJWRISXBLFZXFQ-KRWDZBQOSA-N 441.513 2.477 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1712455433 XEGGTKSGHYHUOJ-KNQAVFIVSA-N 426.521 2.435 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1722296787 VDRFNIGESQOAQO-WDEREUQCSA-N 433.481 2.162 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722317513 GVXRQXYMGMJFJV-MRXNPFEDSA-N 426.487 2.277 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(F)c(F)c1 1722370387 JBLVJEFENKYIRJ-UHFFFAOYSA-N 436.422 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)C(C)(C)C 1722383193 JFLMKVDFAAMEAE-UHFFFAOYSA-N 428.558 2.164 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCCN2CCN(CC)CC2)CC1 1722437055 JDLIKGFFGMRUCS-UHFFFAOYSA-N 429.657 2.040 30 10 IEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC)CC1 1722484050 FEARZJMTQFUXGR-UHFFFAOYSA-N 449.309 2.044 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722523420 SRHJAGMXOUCPMX-ZDUSSCGKSA-N 448.574 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(=O)OC)C1 1722694686 DVPWMZXTRFCTMF-KRWDZBQOSA-N 434.500 2.185 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722743717 HPWQLIACAOILNF-DLBZAZTESA-N 443.639 2.157 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1727592721 AVVLLJICEGTFBV-FQEVSTJZSA-N 437.592 2.397 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1728079590 JFQOBJCOUPNTBW-VQTJNVASSA-N 449.559 2.228 30 10 IEEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NC(C)(C)C 1729587760 KCXUBHQHPPHQGS-UHFFFAOYSA-N 448.531 2.123 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1729999886 MUBCWPBYHSDSPQ-QRWLVFNGSA-N 433.896 2.141 30 10 IEEE CSCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cc1 1731085250 CCQIYHYFOFEAEU-CABCVRRESA-N 436.607 2.395 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740574753 MXZJUSCGIGYABJ-QGZVFWFLSA-N 425.493 2.215 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740588012 FMSAFSXPVXYXLT-UHFFFAOYSA-N 426.546 2.138 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740623881 CFBLSGWQNXLUOT-QUCCMNQESA-N 433.622 2.122 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1740675682 SVYDYXIKVAZAOF-AWEZNQCLSA-N 440.495 2.191 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCc2nccnc2C)CC1 1740699822 VKAPXXRAIJWJBS-UHFFFAOYSA-N 431.544 2.262 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740709907 ODFNOKRJZWOWEA-GOSISDBHSA-N 429.594 2.438 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1740723083 OTDNPABXKFYZMW-UHFFFAOYSA-N 446.552 2.214 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740767066 MFLLCALJTDKZIL-KEXUJGGDSA-N 447.580 2.002 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1740926192 GJZHQNOZIKZWNC-NRFANRHFSA-N 440.596 2.046 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740943042 BYCKRFNOMHRFBQ-UHFFFAOYSA-N 429.525 2.078 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740995340 IPISURSVNKDDSK-CQSZACIVSA-N 434.532 2.408 30 10 IEEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)NC(C)C)o1 1742195676 SRGWDDAKHCMDER-UHFFFAOYSA-N 435.488 2.296 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1743036961 UKAOIQJUDDBLHS-IIBYNOLFSA-N 431.562 2.239 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)NC(C)C 1748873596 VYKHZTXAKOJRSO-UHFFFAOYSA-N 439.541 2.482 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1nnc(C(C)(C)C)s1 1748875731 WNUHPDPOCXFROS-UHFFFAOYSA-N 425.562 2.174 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748948265 KBCSCFZYVCBRAA-GOSISDBHSA-N 426.565 2.330 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)CC1 1748984974 YBVOTVICKUGXDE-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)NC)CC1 1749026113 DXLRVQKDJUXGBQ-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749659053 SNJQWJYRZRZNAF-QGZVFWFLSA-N 436.516 2.489 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749664138 GTIAGWNTCAUIPM-QVKFZJNVSA-N 431.924 2.285 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(C(=O)COC)CC2)cc1 1749684212 TUVJEDZSDYZTEZ-UHFFFAOYSA-N 425.533 2.454 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCO3)n2CCCOCC(F)F)CC1 1750384925 VJEARZRGHFGRNB-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1760098471 SRJXDEOMUOZKHH-IXDOHACOSA-N 449.552 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCSCC1 1760102929 VEPDRVPZKWTEGE-INIZCTEOSA-N 445.589 2.478 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760193206 WPLNRTXPOWBKGJ-UYAOXDASSA-N 444.557 2.008 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCOCC1 1760244002 WAEAQVOZLNXUAN-LJQANCHMSA-N 441.507 2.191 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccn(C)n2)CC1 1760255922 CKRMYKXAUSETKQ-SFHVURJKSA-N 437.523 2.289 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2sc(C)nc2C)CC1 1760265032 LRZYKTHXDQHIQG-ICSRJNTNSA-N 444.605 2.073 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760346502 GHORHZANFSEOLN-IBGZPJMESA-N 444.486 2.490 30 10 IEEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513042 HTOXMIFJMRKSTL-XMMPIXPASA-N 439.560 2.396 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760525344 BYYZEADOUKNVKW-UHFFFAOYSA-N 448.575 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558555 SDOIAIJPJQLXFT-WFXMLNOXSA-N 440.610 2.402 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1760695205 CPUSCAIKSMJHFX-IXDOHACOSA-N 429.546 2.342 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NCC)CC1 1763721987 FUMLAXYLKJMVIH-QFIPXVFZSA-N 425.537 2.219 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1764563988 XRSRCNGBHRVNQD-LJQANCHMSA-N 437.548 2.084 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1766661431 SBNSCQNZKRCWRM-RWNPKEDZSA-N 429.569 2.096 30 10 IEEE CO[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769583087 OSCNVPXLUWHYAS-HNNXBMFYSA-N 440.577 2.206 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(Cc3nnc4n3CCCC4)CC2)n1 1853149795 MSFZXGYTUUOGHV-UHFFFAOYSA-N 433.438 2.166 30 10 IEEE C=CCN(Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1853414318 LQMZGYVKDTYKDV-SFHVURJKSA-N 444.557 2.170 30 10 IEEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 1853416041 OZDKWOSAGCKJGM-UHFFFAOYSA-N 436.438 2.180 30 10 IEEE Cc1c(CN(C(=O)c2ccc(C#N)cc2)C2CCN(c3nccn(C)c3=O)CC2)cnn1C 1853486044 XENMVQOEWVKNLC-UHFFFAOYSA-N 445.527 2.005 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854037223 JLDGIXZUOYSIKH-CQSZACIVSA-N 447.900 2.039 30 10 IEEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)[C@H]2COc3ccccc32)C1=O 1857059665 ILIPVQWBCPHUSK-ZBFHGGJFSA-N 425.466 2.032 30 10 IEEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(CCN2CCOCC2)C1=O 1863320930 JSBHQEOUHSXUEZ-UHFFFAOYSA-N 438.434 2.361 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCCCO)c(C)cc2=O)nc1C 1870088281 QLFNZNPQSAFOFX-UHFFFAOYSA-N 449.529 2.445 30 10 IEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1870097884 BVMZCMRGPHADBN-UHFFFAOYSA-N 441.429 2.115 30 10 IEEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870106838 IVHRPHGHMJZXCB-CQSZACIVSA-N 428.452 2.384 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)cc1 1874302766 PCOXZJCBUKIYJD-FSJBWODESA-N 441.513 2.441 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccncc1 1874335156 ICBIVGLWIOXVCW-UXHMZNKVSA-N 443.577 2.240 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)C1 1892023113 HMSJBDSZEPAVJI-LBPRGKRZSA-N 441.282 2.482 30 10 IEEE C[C@@H](CCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900467017 OQMVCGSMENBJSI-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1908210798 ZVMREWYZVGFVEL-MWDXBVQZSA-N 439.553 2.074 30 10 IEEE CC(C)(C)OC(=O)N1CC(c2nc(=NCc3occc3B3OC(C)(C)C(C)(C)O3)[nH][nH]2)C1 2127692737 IVHUKBFASUIHML-UHFFFAOYSA-N 445.329 2.065 30 10 IEEE CN(C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2127761809 YJMMFXFSAAEFSD-UHFFFAOYSA-N 446.353 2.367 30 10 IEEE N#CC1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)CC1 2174788153 BITRLXNFXJTDBI-LJQANCHMSA-N 432.546 2.248 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244609458 ODUCGNBXWOQZBW-OAHLLOKOSA-N 427.542 2.286 30 10 IEEE C=C(CS(=O)(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2)B1OC(C)(C)C(C)(C)O1 2247962077 KVQMFBHJMNPGFW-FOIQADDNSA-N 442.387 2.493 30 10 IEEE C=CCN(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2248415996 KCIHUMMNOAETHD-UHFFFAOYSA-N 437.371 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254800237 MDDLMMROHICGJO-NRFANRHFSA-N 437.321 2.304 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255367387 CIOHIENFRLUTDG-INIZCTEOSA-N 432.374 2.344 30 10 IEEE CC[C@H](CN(CC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255626767 KHFYZLLGVNDARP-CQSZACIVSA-N 436.362 2.474 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255634286 OTUXSFXSBKKHOI-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2255826042 JMPVPSCHFSAKDP-CQSZACIVSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256034238 HSTNLPJPPAEZNN-JKSUJKDBSA-N 433.358 2.032 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2266061721 JJBZYPOJGOOACE-HOTGVXAUSA-N 447.341 2.328 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CC(Oc3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)C1 2266705265 COEHJEQEFLJTRH-INIZCTEOSA-N 445.369 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266993568 JHMCMHCUJOCBJL-ZVZYQTTQSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC1)CC2 2267139591 INVUAHJUEMIISS-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188420 LVQPQBFKBZVVEO-LSDHHAIUSA-N 448.373 2.141 30 10 IEEE CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267260498 OKQUQFFJUHKOSC-GOSISDBHSA-N 441.385 2.001 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267267322 JLKHZCLWEHAPNG-HUUCEWRRSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267267958 NTTAYLWUPHVZRU-INIZCTEOSA-N 449.332 2.316 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267519607 JEVPHXMCLVPMKO-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267525938 LCMPGGFXXRXODR-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267880691 VGFKZBANVMIOCR-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)CN(CCO)C(=O)OC(C)(C)C 2268639344 NVFCMEPVUTXQRS-UHFFFAOYSA-N 448.369 2.174 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268653891 SMOAADWMDBAEIU-KSSFIOAISA-N 446.353 2.149 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271394749 KPCHBZDCBWFXDF-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#Cc1cccc(Br)c1 2278735213 MPMNKQOXIINBMU-LPHOPBHVSA-N 427.339 2.420 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2CCC3(CC2)OCCO3)OC1(C)C 2282849874 HYVNXGKACCZPSN-UHFFFAOYSA-N 443.396 2.259 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2306363886 IJMBWGAZKCQRMO-BOCKYXSRSA-N 428.533 2.407 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@H]2CN(C)C[C@H]2NC(=O)OC(C)(C)C)n1 2315404230 SFWOLXGBXMHAAO-SJORKVTESA-N 433.358 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(Nc1ccc(Br)c(C#N)c1)C(=O)O 2348630441 QGNNHQPRWWVVEQ-DYVFJYSZSA-N 426.267 2.480 30 10 IEEE Cn1nc(I)cc1[C@@H](O)C(=O)C#Cc1cccc(Br)c1 2360963018 GLKGSOZNAXVNFR-CQSZACIVSA-N 445.054 2.441 30 10 IEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C3CCCCCC3)n2)cc1 20837810 FMDARFJUNYRQKM-UHFFFAOYSA-N 437.551 2.305 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3C(N)=O)C2=O)cc1 96546345 GJPCNBMEZUMSGB-QHCPKHFHSA-N 436.468 2.146 30 10 IEEE COc1cc(OC)c(Cn2nccc2NS(=O)(=O)c2cnc(C)c(C#N)c2)c(OC)c1 427775149 SQHZEBOWTYJVFW-UHFFFAOYSA-N 443.485 2.333 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3cccc(OCC(F)(F)F)c3)n2)cc1 437557870 NSDKPGSKNPIWTH-UHFFFAOYSA-N 444.373 2.716 30 10 IEEE N#Cc1ccc(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)cc1C(F)(F)F 478004357 QHLRRSSWFVBOJY-UHFFFAOYSA-N 433.390 2.064 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1 479046282 NTVIMEPJWTYMMS-MGPUTAFESA-N 427.526 2.481 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)ccc1F 488761597 OSHMKLRDQPDWAA-SFHVURJKSA-N 443.548 2.315 30 10 IEEE COCCN(Cc1ccnn1C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 490441621 HADCQDBQZXHDIJ-UHFFFAOYSA-N 438.488 2.431 30 10 IEEE N#CC1(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCCCC1 535326983 ZEPIHYLGUYTJCJ-UHFFFAOYSA-N 442.335 2.145 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1-c1ccc(F)cc1 547330793 QUSNJYMTAFMEJU-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)c1C#N 556987353 XVZXYIHYNLUZRY-TZIWHRDSSA-N 434.544 2.091 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)cc2C1=O 578660032 OTJFTNUQNZGCEV-IAGOWNOFSA-N 445.475 2.118 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)ccc2OC(F)F)c1=O 602851092 YMYUEGMCAUSTBI-UHFFFAOYSA-N 434.464 2.412 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1F 603799923 IFTKQNLCSZNXQA-UHFFFAOYSA-N 425.460 2.205 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc1[N+](=O)[O-] 609311699 PIBLVPWHGCQZRE-UHFFFAOYSA-N 425.466 2.034 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 619851674 ZECUCWMCSZQLAM-IVZQSRNASA-N 437.479 2.296 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669811413 QADOXPBHZVMDIB-PXNSSMCTSA-N 442.539 2.171 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccnc2OC)cn1 726107778 ABVLMZVINFNOIQ-INIZCTEOSA-N 428.518 2.107 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795449 HYMYLPIFASDSJB-UHFFFAOYSA-N 434.521 2.268 30 10 IEEE C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 745812955 GAZSPKUQJVAJPD-DNTCVELPSA-N 431.924 2.255 30 10 IEEE COc1ccc(COC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1C#N 747046456 NJEFSIBHBIANDU-UHFFFAOYSA-N 436.511 2.131 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1C#N 747499012 UVMHYTJOOCJKAT-HNNXBMFYSA-N 446.467 2.218 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)/C=C\c2ccc(F)cc2)c1 747612435 SBKYEBPGXCAYRC-GDNBJRDFSA-N 428.485 2.473 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc1Cl 750703610 VDPHMMFOFAUTLF-HNNXBMFYSA-N 427.935 2.108 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2cnc[nH]2)CC1 751397079 ZGBBSUGMUCUDQW-QGZVFWFLSA-N 429.546 2.413 30 10 IEEE COC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2cnc(-c3ccncc3)s2)NC(=S)N1 753384412 QEXCGNDSOROOKK-HNNXBMFYSA-N 437.506 2.429 30 10 IEEE C[C@@]1(C(=O)O)COC[C@H]1NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757487886 WZDZDFBCZFPNQI-PXDATVDWSA-N 448.475 2.134 30 10 IEEE C#CCn1c(=C(C#N)C(=O)Nc2c(CC)cccc2CC)sc(=Cc2ccn(C)c2)c1=O 763465988 NLVOZGXWBKDRRV-UHFFFAOYSA-N 444.560 2.148 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Cl)cc1Br 767080540 HFEPOTSAXBNQBS-CYBMUJFWSA-N 440.768 2.055 30 10 IEEE COC(=O)[C@@H](OC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 767546250 ROCFASHEOLTECC-QHCPKHFHSA-N 435.480 2.445 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)c(C)o1 767960409 ZASGRQPUQKZXKV-UHFFFAOYSA-N 446.532 2.256 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1 782580327 YHYGAUGQSXAZPO-GFMRDNFCSA-N 448.589 2.473 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc(C2CCC2)n1C 783109329 XYNJGPBARBEVMX-INIZCTEOSA-N 445.545 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)C1 784667524 PQSSODOTOMHIJM-RBUKOAKNSA-N 428.537 2.267 30 10 IEEE C#CCN(C(=O)NCCC1CS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 786845663 XGHQCCOHUGVSTP-INIZCTEOSA-N 441.347 2.352 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(N(C)C)cc2)c1 788485795 VDPUCQRMQWBUDL-VZCXRCSSSA-N 436.559 2.366 30 10 IEEE Cn1ncc(-c2csc(=NCC(F)(F)F)n2N=Cc2c(Br)cnn2C)n1 789989602 FDWLUYPLHYDMGC-UHFFFAOYSA-N 449.260 2.186 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1C[C@@H]1CCCO1 802680232 UFXOEVJSOIPYOH-SFHVURJKSA-N 431.562 2.224 30 10 IEEE C[C@@H](F)CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 814708239 FCIQKIYFXQZVQS-DOMZBBRYSA-N 444.492 2.284 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1)NCCO 1084409617 XPELNPNGDSGHPF-UHFFFAOYSA-N 426.502 2.030 30 10 IEEE CCCN(C(=O)CCc1c(C)nc(N2CCOCC2)nc1O)c1snc(C)c1C#N 1134093628 UCRZZQZDDJXPEJ-UHFFFAOYSA-N 430.534 2.340 30 10 IEEE C=C[C@H](COC)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1138582914 QJFFVCFUFQAQDC-VFNWGFHPSA-N 437.496 2.086 30 10 IEEE C#C[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1ccc(Br)cc1 1141460731 FLKBVOSNNPFCRV-HNNXBMFYSA-N 440.294 2.138 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCO[C@@H](c4nccn4C)C3)ccc2c1=O 1142057628 CTDBUBASFGDZEY-RHSMWYFYSA-N 425.514 2.255 30 10 IEEE C#CCCN1CCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC1 1142803964 TYAUORITZGBHPJ-UHFFFAOYSA-N 425.533 2.229 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H](C)c3cccnc3)CC2)s1 1147440055 FSGPUFJUDMHLOZ-MRXNPFEDSA-N 434.587 2.055 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCc3cncc(C#N)c3)ccc2Cl)C[C@@H](C)O1 1156107708 AZNHOPAIPANIRY-ZIAGYGMSSA-N 448.932 2.335 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ocnc1C(=O)OC 1175668208 STBWZYJQOOLZCM-UHFFFAOYSA-N 438.234 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)Cc2ccccc2C1 1286439627 UNEAWQZEUOEKTF-UHFFFAOYSA-N 427.556 2.241 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1287067826 BLKWEOROKPDRSV-QGZVFWFLSA-N 439.520 2.043 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)OC 1291410657 ADFNCZOVRWJNRO-XLIONFOSSA-N 440.548 2.173 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1296259014 DGDFPBDEKATWTE-OAHLLOKOSA-N 429.912 2.029 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 1300018271 FIGUCZJMCCGWFL-HNNXBMFYSA-N 431.290 2.381 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1300356981 GSGXGZHRRJJDLS-LJQANCHMSA-N 435.507 2.370 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(C)S(=O)(=O)CC 1300446120 FWKSLXGIUOYZFG-UHFFFAOYSA-N 439.969 2.348 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1300497092 XHELMUAIEMOIDO-SJORKVTESA-N 442.532 2.234 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NCCC 1300789541 OXUJDAADNZBBQU-JOCHJYFZSA-N 443.573 2.257 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300833246 WVKILTGXOOZKIX-HOTGVXAUSA-N 427.306 2.440 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1300980233 GJCWHKWNPKAFLG-UHFFFAOYSA-N 441.532 2.366 30 10 IEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1300992337 WMHSFUFPAOXOIB-INIZCTEOSA-N 440.504 2.038 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1301196893 AXZNPVRLFUGLHA-ICSRJNTNSA-N 429.569 2.419 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1301303079 TZACQSNWXLSIOW-UHFFFAOYSA-N 427.530 2.369 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCS(C)(=O)=O 1301959988 MIBLKIXEQZKYQI-OAHLLOKOSA-N 433.534 2.485 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(C#N)CC2)c1 1302448023 DMMQKLFXWMGFTE-UHFFFAOYSA-N 437.529 2.068 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(-c4ccccn4)n3CCOCC(F)F)CC2)nc1 1302991133 ARUZDRNXLDRHMA-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)cc1 1303391710 XWENXMWNCMRNOY-SFHVURJKSA-N 429.498 2.248 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306183086 OYOKSNAQCBAGIT-FCQUAONHSA-N 449.559 2.079 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NC[C@H]3CCCN(CC#N)C3)cn2c1 1306650977 FKMBYHLSODVVPB-MRXNPFEDSA-N 426.521 2.324 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 1307968001 RGZJVWSOSUIVRZ-SZGUHOMWSA-N 437.581 2.365 30 10 IEEE N#Cc1ccc(N2CCC[C@H](N3C[C@@H]4[C@@](C(F)(F)F)(CCCS4(=O)=O)C3)C2=O)cc1 1308140853 CAYYNIHOXSPGQB-YQVWRLOYSA-N 441.475 2.495 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)cc1OC 1315423888 OKYSZIXPGXPLQK-LJQANCHMSA-N 440.548 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(CCN(C)C)CC1 1358881646 KGFTWLBQUNURSU-GOSISDBHSA-N 438.576 2.405 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nccs2)c1 1358900889 VCSRVAAVVUGRHH-UHFFFAOYSA-N 449.540 2.075 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1358929502 BIUGATUUOUALGD-GOSISDBHSA-N 440.523 2.095 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc(F)c(F)c1 1358970264 KAMDJVNBHMZCSM-QFIPXVFZSA-N 430.455 2.360 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1CCS(=O)(=O)CC1 1359022775 MIVVLPMKAVJNLC-UHFFFAOYSA-N 441.557 2.337 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CC(N)=O)CC1 1359078132 UAJRALVOFBVYSP-CYBMUJFWSA-N 430.347 2.003 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359190487 RGHUWSBJCICHLV-UHFFFAOYSA-N 425.581 2.076 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC1 1360788616 XWRMFQVABBSLNF-CQSZACIVSA-N 431.447 2.480 30 10 IEEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1452967342 BNLQLYYLAMDTIP-OAQYLSRUSA-N 440.569 2.268 30 10 IEEE O=C(c1cnn(-c2ccc(Cl)cc2)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1458002500 MWVYTWJLVBGQKZ-UHFFFAOYSA-N 425.832 2.438 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)cc(C#N)n1 1458452803 GWAQLCLLQMSLCV-UHFFFAOYSA-N 429.380 2.295 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c[nH]nc3C(F)(F)F)CC2)c1 1462991319 DETNKOKWMNSZDB-UHFFFAOYSA-N 427.408 2.340 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1468540912 MXWKMKLYQFWJKN-JLHGSKIFSA-N 430.505 2.395 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)nc2Br)c1 1472024484 PSFSYLLSZUPUJQ-UHFFFAOYSA-N 428.283 2.378 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)s1 1472372312 BUXBVNOSPQPVOQ-UHFFFAOYSA-N 433.511 2.047 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1503830949 NJEUSXBINUECSS-NRFANRHFSA-N 446.577 2.007 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1505013910 ZWZIWXUSCQPRHH-AEFFLSMTSA-N 426.521 2.350 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@](=O)C(C)(C)C 1507709012 PYOALENPMINRIJ-HKBQPEDESA-N 446.573 2.350 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507717412 BRQOCMDXWPTREK-AZUAARDMSA-N 429.952 2.405 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507840843 UJVFIPDVELXDIG-CTNGQTDRSA-N 426.565 2.480 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1508076431 SYGLGSROXLBHKH-OAHLLOKOSA-N 439.507 2.320 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](CN(C)CCC)C1 1508078729 HCXQAPYXSVBMDO-QGZVFWFLSA-N 440.548 2.144 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)CC2=O)cc1 1536662409 CLBHRSRSJMLGJX-UGKGYDQZSA-N 432.480 2.470 30 10 IEEE N#CCCn1ncc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1-c1ccccc1 1537186782 CWYRBFMPLKYHRR-KRWDZBQOSA-N 436.493 2.428 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 1538746099 QDBNLIBYQIGLEL-VQIMIIECSA-N 433.505 2.476 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539142487 QWPQOGYUFXSEJC-GAJHUEQPSA-N 442.564 2.480 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539358728 NIDMJVIZJFKAEY-IEBWSBKVSA-N 428.562 2.004 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnccc1OC 1539390790 VQHNKOBIFYYJHG-LJQANCHMSA-N 434.475 2.460 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1539570592 YXHYDOBIKXKQAN-ZMPRRUGASA-N 430.553 2.129 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539966202 GKOMZTJNNHMHKH-QGZVFWFLSA-N 425.599 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCOCC2)C1 1540886494 DUUYTLHZUJVSOG-GOSISDBHSA-N 444.532 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(OC)c2)C1 1540890742 JKYNAXHKKKHWSI-NSISKUIASA-N 441.532 2.487 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)[C@@H](C)S(C)(=O)=O 1542096704 UZXMOLCQOJRMHG-GZTTZFIESA-N 443.591 2.287 30 10 IEEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1542800305 GRLFUNCXIKREEJ-MRXNPFEDSA-N 449.573 2.422 30 10 IEEE N#CCc1ccnc(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)c1 1545452777 BUZJYFLRYIUVNV-UHFFFAOYSA-N 429.683 2.463 30 10 IEEE Cc1oncc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369419 BHXWAYXXPVGXMX-GOSISDBHSA-N 447.417 2.483 30 10 IEEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554507652 MNGYGYOGVSEOCS-MOPGFXCFSA-N 428.562 2.228 30 10 IEEE COc1ncccc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1555128194 MOIGZNQILCMWHG-NHCUHLMSSA-N 430.484 2.213 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1555629226 OZJMCMOKXHEZPJ-IEBWSBKVSA-N 432.569 2.391 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C(=O)OCC 1558130102 AHGVMCFKQARPHP-LJQANCHMSA-N 446.525 2.498 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)CCC1 1559530100 MDHWPHYWLDKQAE-HXUWFJFHSA-N 435.590 2.403 30 10 IEEE C=CC1(CC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CN(C(=O)OC(C)(C)C)C1 1570589690 ICRNQICCIMXUKT-OAHLLOKOSA-N 436.530 2.151 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 1588075005 VMBQWGRBXXGVMZ-LJQANCHMSA-N 441.557 2.165 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(SC)CCOCC1 1588089432 LOYCHIIAFRJYJQ-JOCHJYFZSA-N 432.590 2.304 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(Br)cc1N1CCOCC1 1588304213 VEZBOKIAQKKWIF-UHFFFAOYSA-N 431.290 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=C)Cl)CC1 1588908279 MXIPOHKVLTZCIF-UHFFFAOYSA-N 427.892 2.392 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC3(C2)OCCO3)CC1 1588930295 RZAWOPRRYNIJEZ-SFHVURJKSA-N 443.592 2.376 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1588969070 VDGMKWLNJNQOJP-MBOZVWFJSA-N 429.565 2.299 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1589126224 XTISUMSGYFKXOR-HZPDHXFCSA-N 428.624 2.044 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1593746699 LCNDSLSVJMMRFZ-VQIMIIECSA-N 427.505 2.050 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593770349 ZMAFYWGDJDXVKP-PGRDOPGGSA-N 436.553 2.301 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1593883980 AAQIFABMZRVSIP-KUNJGFBQSA-N 442.994 2.307 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1595784769 KKOPJZUMZQAIDE-NRFANRHFSA-N 445.520 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1595788961 LWIUGKXWLOMXEL-UHOSZYNNSA-N 443.573 2.212 30 10 IEEE CCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1617184821 LHFYWOLJXPNWSO-MRXNPFEDSA-N 437.504 2.001 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1618757751 HDQHJHQQDOGCGO-INIZCTEOSA-N 449.481 2.273 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CC1=O 1619937336 HKFKAYPZULSOFV-IBGZPJMESA-N 440.573 2.397 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 1625077512 BCXUADACHJIFFQ-INIZCTEOSA-N 425.279 2.357 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1625354305 YFYUGNHKMKXNHS-GUDVDZBRSA-N 447.557 2.187 30 10 IEEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1626963305 YFWGZAZBIYYWOJ-NRFANRHFSA-N 442.541 2.285 30 10 IEEE C#CCCN1CCN(C(=O)c2cnn(-c3ccccc3)c2I)CC1 1627318905 NEOFALNSPNBMGR-UHFFFAOYSA-N 434.281 2.258 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1627789745 AUOKQBHJLGYMRW-FQEVSTJZSA-N 426.542 2.272 30 10 IEEE C#Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1637034683 LXSBNGPDDLJZCP-UHFFFAOYSA-N 443.500 2.059 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1649369286 NQNSYTZIOASQNY-GOSISDBHSA-N 449.360 2.402 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)c1 1653130214 IDWLQDFSVUWZNO-HXUWFJFHSA-N 427.478 2.233 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)c1 1653175926 SAYBQVKBTWBFFQ-GOSISDBHSA-N 427.501 2.091 30 10 IEEE COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1654140279 UGVSRWUNAOUTRD-NQIIRXRSSA-N 441.528 2.427 30 10 IEEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 1662114387 UVCWDNLKZVUVCV-KRWDZBQOSA-N 438.571 2.447 30 10 IEEE COC(=O)[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1674372009 KTSPVKDWWZZQPY-GOSISDBHSA-N 442.516 2.152 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1689956753 DGHGGVHLHHYNIX-HNNXBMFYSA-N 446.349 2.272 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@@](C)=O)cc1 1690030000 MBHIXAWCNZMVSW-VAKBQEFHSA-N 440.569 2.002 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(Cl)ccc2OC)CC1 1690112307 URICAFVAAYZVDI-QGZVFWFLSA-N 447.967 2.468 30 10 IEEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690539599 FWJGUZAMXACHOA-OAHLLOKOSA-N 446.533 2.290 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690664499 VSQRQLFSMKGBOU-MSOLQXFVSA-N 449.914 2.424 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690742553 ULQLTVDTDXMGJR-LSDHHAIUSA-N 447.565 2.233 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)CC(F)(F)F)c1 1693229040 DEWFXOVTUNHSOK-KRWDZBQOSA-N 438.454 2.388 30 10 IEEE Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CCO2)o1 1693441217 FFLWNNAGHAPBLH-MRXNPFEDSA-N 445.430 2.368 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1695049015 YCTDZFRGLQCAMN-XMMPIXPASA-N 446.559 2.408 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1697758188 XHSXUNULDGCFTI-LJQANCHMSA-N 445.483 2.013 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1705516685 HFSHFJLDMXWNED-SFHVURJKSA-N 430.578 2.101 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705538114 YZQCXGCVJCNOPA-GOSISDBHSA-N 438.532 2.319 30 10 IEEE C#CCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705539700 ZAIMWCHWWBQQMQ-HFMPRLQTSA-N 445.608 2.279 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1705611046 NWXXOILWCIITSB-OAQYLSRUSA-N 431.544 2.486 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)CC)CC1 1705636786 XRDBPEBXFRROJE-HSZRJFAPSA-N 427.549 2.269 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705658873 DEJMADHXKCJOFT-UHFFFAOYSA-N 439.585 2.422 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1705718228 DZNOWMMBHVVUDX-UHFFFAOYSA-N 437.548 2.168 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705802352 ISUDEBFDASZFKB-JPYJTQIMSA-N 446.596 2.477 30 10 IEEE Cc1n[nH]cc1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1706998751 GLRYIRYULRICRR-LJQANCHMSA-N 439.545 2.104 30 10 IEEE CON(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1712656180 VCINARAXEKVMGA-JPWUFHEYSA-N 430.440 2.081 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1ccnc1C 1722295869 YOJBVZWFCPJFGI-INIZCTEOSA-N 440.577 2.291 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1722359822 WCJXNSYCFDDWOA-SPEDKVCISA-N 434.606 2.408 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOCCOC)CC1 1722437297 CPYKXVAMWNZXMN-UHFFFAOYSA-N 436.560 2.245 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1722439400 AFPNUZGPWDNIQY-QHCPKHFHSA-N 429.572 2.322 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)CCCO2)CC1 1722441024 IJXNRKOQGGYBOF-HSZRJFAPSA-N 425.533 2.190 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1722460750 YZFCOGSQFFPTNS-KRWDZBQOSA-N 446.598 2.118 30 10 IEEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1722537410 AGCBDHJPOFAEOX-OFNKIYASSA-N 444.580 2.088 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722604352 YNGVYLSMZHYDAH-KRWDZBQOSA-N 437.610 2.231 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722613552 INGRSBVMIIKQPU-WIYYLYMNSA-N 425.581 2.239 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722740565 QNHBUIBKYPZXMC-KRWDZBQOSA-N 443.639 2.299 30 10 IEEE CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1727273005 FSZZLXQNFGGDFS-FQEVSTJZSA-N 432.532 2.282 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCN(C)C(C)(C)C1 1727625434 HZZNCMVBRINXTD-OAQYLSRUSA-N 437.592 2.316 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1729637250 GWAFBCCCFNIBGZ-OXQOHEQNSA-N 430.459 2.203 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1729727805 AWSYDDQHJBAWBR-WOJBJXKFSA-N 437.548 2.339 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740627921 UBWPOHIXIBNVNN-JTSKRJEESA-N 436.622 2.435 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccn(C)n1 1740681059 WTIVZSSVMIGEKC-UHFFFAOYSA-N 432.326 2.098 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1740698410 VCSPTXXCNYYHLZ-FQEVSTJZSA-N 442.633 2.187 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1740713424 LFGJLBOGBDXACB-UHFFFAOYSA-N 443.573 2.387 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740716220 NUAQYLMWEKAYBM-HXUWFJFHSA-N 438.601 2.261 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1740717190 LSFUOEYJFBTALB-SFHVURJKSA-N 445.614 2.003 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1740888448 SGFHNTSJYMSZHC-NRFANRHFSA-N 446.640 2.370 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1740947671 AJUQCWKCHGUJOP-KRWDZBQOSA-N 438.536 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740987839 NHAVCZYSSQUZKV-UHFFFAOYSA-N 448.467 2.341 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COc2ccccc2O1 1741123507 DTDKBGYZGXFPSN-JKSUJKDBSA-N 433.472 2.361 30 10 IEEE CC(C)NC(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1741691808 QNNGZWYLWGCRLQ-VXKWHMMOSA-N 432.569 2.363 30 10 IEEE C[C@H](c1ccccc1)N(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1741786881 QBTMZSONYNQHBA-BLRPHQBRSA-N 446.515 2.402 30 10 IEEE CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1745817633 DZHGPTWIFZYMSZ-GOSISDBHSA-N 444.561 2.152 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748807861 CWIVJXICUUUAHJ-KZNAEPCWSA-N 432.546 2.288 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1748816150 XRHDKGCBABDLRX-LJQANCHMSA-N 428.558 2.058 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1nnc2n1CCC2 1748838159 XAYHPNPXBYESBT-UHFFFAOYSA-N 436.317 2.366 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 1748956236 NSIKUHWBFYCIEJ-QHCPKHFHSA-N 441.601 2.239 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749208054 ZCRXLUNPSPSKIK-JOCHJYFZSA-N 429.521 2.450 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749355044 FBJQVDAPECYBNC-SJORKVTESA-N 427.440 2.071 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1749953074 GZZAMVOARCRHNM-XGRCMKMKSA-N 429.496 2.278 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760132631 LMTIYZPYIGLCST-ZWKOTPCHSA-N 444.513 2.266 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760188857 DKYUZBGLVJXINW-ICSRJNTNSA-N 425.558 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCC[C@H]1C 1760216352 KMIGROKOQXFPRV-IEBWSBKVSA-N 440.573 2.126 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1760237393 IHPJIQPTJFVCQR-OAHLLOKOSA-N 432.322 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2cccs2)CC1 1760273281 NQCVWWPLPWZAPU-VGOFRKELSA-N 443.573 2.065 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760291474 QEUBIYDJDHMWNI-YADARESESA-N 432.528 2.304 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(Cc2cc(C)no2)CC1 1760327281 FTDXJAMVJKQDGJ-WIYYLYMNSA-N 430.553 2.414 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1760388255 JWMIBRQYIHCVQQ-UHFFFAOYSA-N 426.546 2.481 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2)C1CC1 1760470119 LPKXKWYSWGRWGN-OAHLLOKOSA-N 447.561 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(C)(C)OC(C)(C)C1 1760519789 PQZMMASCLXFKHT-UHFFFAOYSA-N 427.505 2.370 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1 1766646901 CKEVRILROLSENY-QGZVFWFLSA-N 441.561 2.281 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)C1CC1 1767634302 IEDOOESLHKYFJL-VGSWGCGISA-N 427.505 2.146 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1)OC 1769236658 AXGNDQSZYYQKES-KRWDZBQOSA-N 438.454 2.162 30 10 IEEE Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccnc(C#N)c4)CC3)nn2)ccc1F 1850683541 LUZFXMHGKINJAT-UHFFFAOYSA-N 433.447 2.016 30 10 IEEE COC(=O)[C@]1(NC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CCOC1 1852608878 MGSZYJUHEGKOMM-YKSBVNFPSA-N 433.464 2.094 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)Nc2ccc(F)c(C#N)c2F)CC1 1852943868 IMCQLNYGTIHBJC-QWHCGFSZSA-N 434.443 2.490 30 10 IEEE COc1cccc2c1C[C@H](C(=O)O[C@@H]1CON(S(=O)(=O)c3ccccc3C#N)C1)CC2 1853683343 VPYRSQJPTGNNRF-AEFFLSMTSA-N 442.493 2.220 30 10 IEEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)c4ccsc4)C3=O)CC2)CC1 1854339776 GHYSCJPVUCAXNM-LJQANCHMSA-N 428.558 2.353 30 10 IEEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C1=O 1854567807 LRUZCVWONSHRNS-YLJYHZDGSA-N 434.558 2.417 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2=O)cc1 1856396714 FMYFANLKZCYYHB-UHFFFAOYSA-N 445.928 2.345 30 10 IEEE C[C@@H](Oc1ccccc1F)C(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856927543 MBGLEPXIZOJOJM-CQSZACIVSA-N 431.445 2.216 30 10 IEEE C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(Cc3cccs3)c(O)n2)CC1 1859429645 JXXOXWNHJLBBOJ-HNNXBMFYSA-N 449.540 2.250 30 10 IEEE C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(-c3ccccc3)c(O)n2)CC1 1859430332 WQESMQHBAUDTFH-MRXNPFEDSA-N 429.484 2.265 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)c1 1866929770 TUHNLYNWZZQMOR-RXVVDRJESA-N 439.537 2.439 30 10 IEEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870160443 RFPCFCYCHOAOGW-UHFFFAOYSA-N 448.830 2.033 30 10 IEEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873596013 CBBIPHRJTDAWAE-UHFFFAOYSA-N 443.548 2.243 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC(C#CCN(C)C)CC3)OCC(=O)N2C(C)C)cc1 1890023420 SYVUXGUSDUKWMD-DNQXCXABSA-N 441.572 2.176 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 1993322591 OSGRHHBWZKPGAK-HZPDHXFCSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC1 2063391907 VICFVJDUAAPZIV-GJZGRUSLSA-N 436.358 2.299 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124541471 SWGYGQOKVKWJLS-GOSISDBHSA-N 445.369 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#CC(=O)O 2229103816 FVAANWYAAIVBHT-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247840213 JGMHWQFIKDPIRH-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247863264 OLSNDWLFZSQOMM-UHFFFAOYSA-N 440.371 2.007 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2247922723 MKAASFFGQSXDAW-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2255679082 FXFUCZZEVMIOJP-HNNXBMFYSA-N 433.358 2.311 30 10 IEEE CON(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)OC(C)(C)C 2255873149 IJCPIODYFCSLPF-UHFFFAOYSA-N 437.346 2.243 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256024639 XFSNVDHAAUVLOP-UHFFFAOYSA-N 435.374 2.282 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H]2COC[C@H]21 2266051827 MWGDXEYDTUJWRG-JKSUJKDBSA-N 449.332 2.344 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2267010465 VALUZJCDXXSXFO-UHFFFAOYSA-N 447.301 2.016 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2267141713 MCMRJZRDRBZKOU-CWRNSKLLSA-N 446.357 2.227 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)n1 2267146445 KLZHJIBWZBOTKY-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267272397 YWNONAVULBMQGT-HZPDHXFCSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267289229 MKENEFHNGGQGHY-HZPDHXFCSA-N 448.325 2.039 30 10 IEEE Cn1cc(C(=O)NCCCOCCOCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267501904 FKNIOUACRQNLKN-UHFFFAOYSA-N 443.353 2.073 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1O)C2 2267680207 RXLQDYICZUJVRF-PSLXWICFSA-N 444.337 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267876114 KZOOWQGZKIJEGR-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273775838 RGDGBXLEBFXHAV-QAPCUYQASA-N 448.369 2.185 30 10 IEEE CO[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)CSC 2282830433 ULZZCOKDMNYFHH-SNVBAGLBSA-N 441.833 2.357 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)n1 2315400279 USIVERJNGJOQBL-UHFFFAOYSA-N 433.314 2.175 30 10 IEEE COc1cc(NC(=S)/N=C(\NCC(OC)OC)Nc2nc(C)cc(C)n2)cc(OC)c1 14155936 KTXMYDIYMZCKHE-UHFFFAOYSA-N 448.549 2.484 30 10 IEEE CCCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 29760291 BSAJREWMQYHUAY-OAHLLOKOSA-N 427.505 2.247 30 10 IEEE CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(OC(C)=O)c(I)c2)S1 33286667 KKSDLWWNBMJHSI-WUXMJOGZSA-N 430.223 2.323 30 10 IEEE CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C2=C1CN(CC(=O)N(C)CC#N)C2=O 34793342 NGKFEYDTCXJMRQ-QGZVFWFLSA-N 436.299 2.158 30 10 IEEE C=CCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc1OC 96460458 MONHVRNMZWKNRE-BKPRWIHQSA-N 434.499 2.271 30 10 IEEE CCOCCCn1c(=NC(=O)c2cccnc2)c(C#N)cc2c(=O)n3ccccc3nc21 252668764 FMVQGPDWPUDQMB-UHFFFAOYSA-N 428.452 2.084 30 10 IEEE COc1cc(CNC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)ccc1C#N 427153830 UHFSDDKVRYXHBI-UHFFFAOYSA-N 444.557 2.035 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)ccc1F 460820571 BBHAFSGCKIETJY-UHFFFAOYSA-N 435.502 2.233 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCN(CC)CC1 460937181 NWQGOSUPXLOQBW-UHFFFAOYSA-N 444.605 2.448 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1 467826447 WGYSCCDVQVJFGD-UZLBHIALSA-N 427.526 2.070 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)nc1 474354236 JJPWPHYPNYOMED-QGZVFWFLSA-N 425.554 2.301 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccccc1C(=O)c1ccccc1 476411546 YRDLXFFAGBNBLM-QGZVFWFLSA-N 447.520 2.479 30 10 IEEE C[C@]1(C[C@@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)NC(=O)NC1=O 480335213 NTEOMRJZUFQSDC-VBKZILBWSA-N 441.879 2.382 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)C2=O)cc1 485984603 BHYRQOANNMRWFM-UZLBHIALSA-N 438.434 2.107 30 10 IEEE C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnn2)cc1 486507509 XFBCCINISOZKQS-IIBYNOLFSA-N 429.484 2.300 30 10 IEEE Cc1ncc(S(=O)(=O)NCCCN2CCN(c3ccccc3Cl)CC2)cc1C#N 489113148 DMEDDZRBWVQFOR-UHFFFAOYSA-N 433.965 2.406 30 10 IEEE Cc1ncc(S(=O)(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N 489426910 NFQGPLOGSSFJRE-OAHLLOKOSA-N 429.420 2.341 30 10 IEEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCCc1nnc2ccccn12 490423643 QIBSOLYKUXZDRN-UHFFFAOYSA-N 441.451 2.476 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 503895338 RWWFADVKPKODON-QGZVFWFLSA-N 447.900 2.472 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 504071127 UTAGDFPWALQJMW-UHFFFAOYSA-N 427.526 2.277 30 10 IEEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 507536125 PCOLTYPSQONKFH-UHFFFAOYSA-N 432.527 2.291 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 508476131 BJUZPFYHOMFOCP-WOJBJXKFSA-N 440.592 2.469 30 10 IEEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 509470961 NXIBLIKZGSWRME-LJQANCHMSA-N 440.525 2.054 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC1 512710458 STDFOTHNIYICNI-UHFFFAOYSA-N 436.541 2.056 30 10 IEEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cn2)C[C@H](C)O1 513484639 LVAHAPNNWWRRQP-GJZGRUSLSA-N 425.464 2.200 30 10 IEEE CN(CCN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1)Cc1ccccc1 513787042 SDRDRSHAQOKDJS-UHFFFAOYSA-N 426.586 2.082 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)OC(C)(C)C3)nnc12 520479265 IYDREOLFJFKNLY-CQSZACIVSA-N 427.530 2.348 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 532478709 FOTCMMRKCFAQRD-JOCHJYFZSA-N 440.931 2.360 30 10 IEEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)Cc1ccccc1 536452507 BZUMPVIPTNLVKT-QGZVFWFLSA-N 439.537 2.275 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541654645 FLKUFJCKWIIXJJ-LJQANCHMSA-N 431.470 2.460 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 544882655 UKDBEWUFPADFJY-TWWFPWMWSA-N 426.517 2.457 30 10 IEEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546199084 HFMVRYZRDANFPA-FQEVSTJZSA-N 437.569 2.082 30 10 IEEE CCOCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C#N)n2)CC1 555306874 GJPKYIVTAXEXEI-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)c(OC)c3)c2=O)cn1 572025477 DUXMYBHYMLCQTN-UHFFFAOYSA-N 448.548 2.305 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(Br)c2C1 582933139 GEAPHWUAVJEVGJ-GFCCVEGCSA-N 440.367 2.400 30 10 IEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669809558 DTLIDFFCCWEZHA-LAUBAEHRSA-N 426.540 2.183 30 10 IEEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 727548330 SKVGETOOMNNTRQ-FQEVSTJZSA-N 446.467 2.075 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CCOC(C)(C)C)cn1 730725689 YDWDWWXIGVIYGV-HNNXBMFYSA-N 445.549 2.468 30 10 IEEE COc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1C#N 746711376 UBWWFGGBNDLNEQ-UHFFFAOYSA-N 445.501 2.023 30 10 IEEE COC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1Cl 747496710 PXLAFTQWHXGPLN-UHFFFAOYSA-N 431.832 2.027 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 747886695 PIPBXOYJXFAISO-GOSISDBHSA-N 446.960 2.440 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@@H]1C(=O)O 757542706 LNOOFWZMBQXJNE-WOJBJXKFSA-N 449.463 2.187 30 10 IEEE CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)[C@@H](C)C1 760753280 JISIMKPAQCERJL-YZNZPZSRSA-N 449.577 2.364 30 10 IEEE N#CCCCS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 779257180 RQMDJYIONZCPAD-BVGQSLNGSA-N 439.484 2.488 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780858469 IZPVIPIWGUNQJK-RCZVLFRGSA-N 448.523 2.481 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1-c1ccc2c(c1)OCCO2 782923501 XWKUENWZBFUYDH-UHFFFAOYSA-N 438.468 2.245 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)N(C)C1(C#N)CCCCC1)CC2 786796747 FHUQOHKMXWFXLM-UHFFFAOYSA-N 429.517 2.290 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCCN(c3ccccc3C#N)CC2)=NO1 789975352 YEDLBNPADZSFOL-QGZVFWFLSA-N 427.505 2.267 30 10 IEEE C[C@@H](CC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 794216722 QBWYWFFTHWDNQV-RYGJVYDSSA-N 449.536 2.362 30 10 IEEE C[C@@H]1CC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 795181293 AJRWEOLJDYTYBF-DAXOMENPSA-N 438.513 2.334 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1ccccc1OCC#N)c1ccc(S(C)(=O)=O)cc1 797583201 QUDGOULBWAJHFR-OAQYLSRUSA-N 430.482 2.201 30 10 IEEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 915995016 BLKGYUYUSHJEOA-UHFFFAOYSA-N 431.499 2.170 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)c1OC 1084017607 XLGKUFWVDURYJV-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC)c(Br)cc2Cl)C1=O 1131385338 YSGCZSHNTUNESL-UHFFFAOYSA-N 430.642 2.026 30 10 IEEE C=CCC[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OCC 1140930005 NYYZDLDMUGFQJJ-SBUREZEXSA-N 425.485 2.142 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21 1141593303 FOSBDNTXRVCDNX-UZUQRXQVSA-N 436.508 2.431 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCC3CCN(C4CCOCC4)CC3)ccc2c1=O 1146920207 VCTUMRJXYXBLEK-UHFFFAOYSA-N 442.585 2.492 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC3CCCC3)CC2)nc1 1148315124 UBIFMQSSODRDRL-NRFANRHFSA-N 439.560 2.380 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 1156139772 GXOJYJKMVAYPIW-UHFFFAOYSA-N 440.261 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)=NO2)C1 1178460553 MDFGGXSVSIADOH-MRXNPFEDSA-N 440.504 2.122 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1nn(-c2ccccc2)cc1Br 1264322192 UBQWWZRLQVZJOR-UHFFFAOYSA-N 442.277 2.318 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCOC1 1267794841 KUQMOBZQSCZNAC-NRFANRHFSA-N 426.477 2.399 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286340371 ZDAHRZKSGAIWFL-LJQANCHMSA-N 436.516 2.134 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccc(OCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1286383799 OGLGADHCKFTJDM-IBGZPJMESA-N 446.573 2.253 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286391249 DEVYZYOPFNKXFP-PMACEKPBSA-N 428.558 2.156 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286443459 HOBPYAHWFHRASV-IAGOWNOFSA-N 442.564 2.478 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@H]2C1)c1ccccc1 1286678465 XNCRGPCTBUJSKD-LEWJYISDSA-N 438.576 2.297 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1286706057 JKPZCPQOWBFDQB-OAHLLOKOSA-N 439.607 2.495 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)nc1 1286773989 WTYAONJRRRIFMQ-FQEVSTJZSA-N 442.564 2.438 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)Nc2ccccc2)C1 1286798632 MJQDVNMCULYPQK-SFHVURJKSA-N 426.521 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286802036 MNGIQZTZANCZSJ-ICSRJNTNSA-N 441.557 2.423 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2OC)C1 1286809806 VUFBSGYDMOHUKM-ZWKOTPCHSA-N 427.505 2.076 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1288234723 CJVNRKLAPNOYRX-UHFFFAOYSA-N 448.506 2.202 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1291225544 SJRUDKLSMCOYML-APFMSCDFSA-N 449.540 2.285 30 10 IEEE CCc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1292883326 IEGDKVTZEWDYKH-SGRLSNSRSA-N 440.504 2.146 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1299376144 CXRPKQSMTMSWAH-QFIPXVFZSA-N 425.489 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCN(C(C)C)CC1 1300315325 VNQCQFXAPUNKNI-IBGZPJMESA-N 435.576 2.210 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCOc1ncccc1F 1300540697 BLRZLGFGPBSSKM-UHFFFAOYSA-N 429.459 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1sc(C)nc1C 1300674655 BOPODALYTNYBPJ-UHFFFAOYSA-N 444.586 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1300884281 IOCJOQBCYNBRIK-SCTDSRPQSA-N 449.577 2.403 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccs2)CC1 1301237208 NYEUTNPQDAZZJL-UHFFFAOYSA-N 445.593 2.280 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1301251330 BPUIJHROIGVGPM-GOSISDBHSA-N 430.578 2.206 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301309521 RYCBWKPXVITEJK-GOSISDBHSA-N 433.578 2.378 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1301505853 BKXVQZFDTKVQPW-IBGZPJMESA-N 448.527 2.232 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301507345 ZUWLAMUISXBQNW-UYAOXDASSA-N 425.533 2.185 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](n2cncn2)C1 1301510183 UNAOTSRXVOUFKO-FQEVSTJZSA-N 434.548 2.189 30 10 IEEE CCOC(=O)[C@H](CC=C(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1302760590 OEPHWNDKRSCJEH-FQEVSTJZSA-N 447.557 2.363 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1303492295 CZZGXTWEBUCBJO-VXKWHMMOSA-N 433.553 2.254 30 10 IEEE Cc1c(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)cnn1CCC#N 1303806310 MXODAOCDBTWKDU-MRXNPFEDSA-N 445.520 2.168 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 1309371546 ICBPDUFHLNKHAI-CVEARBPZSA-N 425.304 2.084 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC[C@H]1C 1315719874 RNSYICRMQKZXPF-CRAIPNDOSA-N 429.546 2.255 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1316270414 WRVWUDRJGWTBNL-UEDWAMCQSA-N 448.612 2.486 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)c2ccccc2C#N)CC1 1318206175 GABTWNAZCOMIQP-UHFFFAOYSA-N 440.525 2.327 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)ccc1F 1324410294 ZVFXQXFOXRSEBZ-UHFFFAOYSA-N 432.542 2.293 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1353601478 VZGKXQNWRBMLJJ-INIZCTEOSA-N 447.479 2.009 30 10 IEEE Cc1nn(-c2cccnc2)nc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1355746398 UMPJTJLYPGKFPR-XIEYBQDHSA-N 439.501 2.036 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1358920670 FHEIWBFIPDBSCB-QUCCMNQESA-N 425.533 2.400 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1358922404 DFDOSFFBJRPBEM-LJQANCHMSA-N 438.488 2.094 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOCC 1358948561 FKBYTHNZPGERAJ-IBGZPJMESA-N 446.573 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cccn(CC)c1=O 1358981784 XOTRHNGXOGLFSK-UHFFFAOYSA-N 429.524 2.375 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1359007538 MTLFOGKNFGPKLL-UHFFFAOYSA-N 435.532 2.003 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@@H]1C 1359064472 TWHFCZLHASIBRF-RYLXDESZSA-N 437.610 2.476 30 10 IEEE Cc1cn2c(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c(C)nc2s1 1450143079 JUENQCQCMVJKLK-MRXNPFEDSA-N 436.497 2.406 30 10 IEEE CO[C@]12CCC[C@@]1(NC(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1455594232 RSADQGUAYQZOMS-RTWAWAEBSA-N 435.546 2.087 30 10 IEEE C#C[C@H](NC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 1469257336 ADAGRFXKUUAXSS-GCDKYVQMSA-N 442.313 2.230 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 1471084854 XXOLAHGXURXMTP-QFIPXVFZSA-N 433.424 2.341 30 10 IEEE CC(C)n1cnc2ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc21 1471662117 OUAGRQXIKHIVRI-OAHLLOKOSA-N 425.514 2.472 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1CC1(C(N)=O)CCOCC1 1498047447 GTMPTOIIAADSJZ-QGZVFWFLSA-N 440.548 2.440 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1501550251 IHMSHVHPMONVGC-RTBURBONSA-N 427.530 2.175 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1501665039 QEBGVRYALCOWMG-DQRAZIAOSA-N 447.499 2.244 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507614998 LSVUDTLVOVSRHW-UHFFFAOYSA-N 438.507 2.332 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1507706267 KKXGMKUAXBPZOL-UHFFFAOYSA-N 436.560 2.138 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1507761868 OIORAWJFVPAUGE-JOCHJYFZSA-N 437.548 2.028 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507805610 KCLIBXQWQMCRDS-PXNSSMCTSA-N 437.610 2.072 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507812556 XRVIOWIVSUWCDA-INMHGKMJSA-N 445.486 2.301 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnn(C)c1 1508072940 LGINEJGKJGZIHX-UHFFFAOYSA-N 431.447 2.219 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CC3(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1508097432 IHUVTBQPUNVZFM-OXQOHEQNSA-N 439.507 2.104 30 10 IEEE CC(C)(C)O[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1508686853 NDCDUEMWCRTZRV-SFHVURJKSA-N 446.577 2.150 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCc1nnc2n1CCCCC2 1519163614 CFUCUFZWKOVVMO-SFHVURJKSA-N 442.568 2.099 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOCC2)C1 1521063148 NREFMTOXMQSQSF-NRFANRHFSA-N 434.466 2.311 30 10 IEEE COC(=O)[C@]1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@H](C)CC1 1531880893 ZTXUMTNSUSDFLY-JKXTWKSPSA-N 426.473 2.001 30 10 IEEE C#CC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CCCC1 1536693553 UYMOZGZTRWCEMH-QGZVFWFLSA-N 431.558 2.132 30 10 IEEE CC(C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccccc1Cl 1538539533 JCJOVAJIVOYRIM-DJJJIMSYSA-N 433.921 2.054 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NCC#C)CC1 1539058654 HLEUZBZSGSEFLQ-UHFFFAOYSA-N 447.539 2.486 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCCNC(=O)OC(C)(C)C 1539290352 FWKZAYYKRHPSME-UHFFFAOYSA-N 430.553 2.184 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1cccc(F)c1)C1CC1 1540873562 BZIJDDAAFUROLP-UHFFFAOYSA-N 426.496 2.011 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(N(C)C)CCSC2)C1 1540894384 XBYNHGFWSVOKRI-DENIHFKCSA-N 428.606 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540898366 ILSUZMHOEQOBPW-DLBZAZTESA-N 441.598 2.317 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1540917365 ULROXRYXFMZLLZ-SJORKVTESA-N 428.624 2.351 30 10 IEEE C#CCN(C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1542210961 GEMNKKRQZBQWES-PXAZEXFGSA-N 446.472 2.085 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)c1 1544608872 XONWGHYOBXHBRI-JUGSVMCGSA-N 436.578 2.063 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H](C)O1 1546769375 FFFIDBJWXZDLBW-QFBILLFUSA-N 438.532 2.259 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCCO)cc1OC 1554857305 WIQOHDCAKJAKAI-QFIPXVFZSA-N 429.521 2.491 30 10 IEEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1558173214 HENBWRKQJJLCRU-UHFFFAOYSA-N 448.570 2.393 30 10 IEEE CN1CCC(C#N)(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1584986756 SWCFOUOUVWBMEM-IBGZPJMESA-N 429.565 2.116 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1587889098 VFIDIIUEXBPUKK-UHFFFAOYSA-N 438.532 2.273 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1588049607 JFGMKLGTMQWRBW-XBMUEBEBSA-N 445.589 2.495 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN(C)C(=O)OC(C)(C)C 1588154558 FBTBOPOJXABCJZ-UHFFFAOYSA-N 447.543 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1588233217 DJSQTWYHEMISHV-MRXNPFEDSA-N 448.495 2.000 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 1595675043 WSKHPAYMVJLGOX-ZWDAVXSWSA-N 432.496 2.490 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(Br)c(C#N)n1)C2=O 1610905440 BTOXTBAGNHKPBG-QWRGUYRKSA-N 434.294 2.401 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(Br)cn4ncnc34)C2=O)cc1 1611527313 GBDYJVAERDXPAH-INIZCTEOSA-N 439.273 2.289 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1612120048 KIMBNMZAJGQENF-BFQBXFRASA-N 449.515 2.430 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1613046897 YVGBVKWAQIHHLD-WMZHIEFXSA-N 438.532 2.117 30 10 IEEE CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1615501119 BRDRIKCGTVFRFM-UDJKBAMHSA-N 442.545 2.396 30 10 IEEE COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1617614621 BYLKKYARYXJYGQ-UHFFFAOYSA-N 434.445 2.140 30 10 IEEE CN(CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1)c1ccccc1 1618261311 CABQCJYPXURBFE-UHFFFAOYSA-N 433.516 2.486 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1619627281 IWOUSYAVTHRZGO-QGZVFWFLSA-N 438.463 2.377 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1619813942 MGFSTYFCAPTIHH-AZUAARDMSA-N 438.532 2.260 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCCS(C)(=O)=O 1638496041 MHKXWNNTVIGPRY-GOSISDBHSA-N 435.546 2.334 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)c1C 1638989660 BTZHMUHHGPBCQA-UHFFFAOYSA-N 448.589 2.257 30 10 IEEE CC[C@@H](Cc1ccccc1Br)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636335 BXIREZZUYQOQNG-LBPRGKRZSA-N 431.290 2.235 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)OC 1642410936 QPZUXIRLLIOEMZ-QGZVFWFLSA-N 446.912 2.386 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CCN1C(=O)OC(C)(C)C 1672230871 VKTBEJLZXLCJLR-UHFFFAOYSA-N 444.554 2.325 30 10 IEEE CC(=O)Nc1cccc2c1CN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1672352203 DZFUERUCLVULML-JOCHJYFZSA-N 431.496 2.385 30 10 IEEE CC(C)(C#N)CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1681276357 AUMGNCXAHXRQJH-SJORKVTESA-N 448.568 2.113 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)CC2)c1C#N 1682668985 LMWIJXHKLODCGX-HNNXBMFYSA-N 433.557 2.125 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCCOC 1689966693 ZCRLDJMFILYJAB-LJQANCHMSA-N 446.573 2.022 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1689976646 SCANWTNUAWVOTP-JQHMZKTJSA-N 433.553 2.350 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689984113 LLHAUIWGRNOQPG-XLIONFOSSA-N 429.590 2.084 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1689991603 AJFBPPRLFMKDQR-FQEVSTJZSA-N 429.590 2.362 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690308113 BEMROVXPNAAJHN-AWEZNQCLSA-N 426.443 2.371 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690311773 TZFDJMRQISWHTG-VQTJNVASSA-N 429.569 2.500 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690488999 WWTRYTIHPGBQQA-SFHVURJKSA-N 430.578 2.428 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1690595545 YRKIXPLWIJXJOR-GCJKJVERSA-N 428.558 2.193 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)CC1 1690674922 KOMZCSDMENDTDP-UHFFFAOYSA-N 435.576 2.361 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1690686616 QSZHTGVQYZGGJR-XTQVGHSUSA-N 445.539 2.405 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCOC)CCOC1 1696084723 GAFWZXZZJRDIKU-UGKGYDQZSA-N 427.505 2.026 30 10 IEEE CCOCc1nnc(N2CC=C(C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696267020 UGXXVODGKQXFTC-MSUUIHNZSA-N 440.426 2.040 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1696915306 SGUYWKKOZOGSMF-INIZCTEOSA-N 436.516 2.403 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705529061 BZRQDXUPEVQMHG-LJQANCHMSA-N 447.547 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1705585816 LEKMGDHBOCDHPL-UHFFFAOYSA-N 430.512 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1705588817 KPGDTLCWAXUJNK-INIZCTEOSA-N 449.964 2.084 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C[C@H]1CCCO1 1705899071 HMZCWEMMGPPUKB-QGZVFWFLSA-N 427.505 2.024 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705906157 VCXOQQJYYAZUPU-SFHVURJKSA-N 441.511 2.072 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1708605931 YUQCBBYJNXYOSQ-GOSISDBHSA-N 448.579 2.002 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722358883 GNJSCWBQXVHEKV-HKUYNNGSSA-N 445.589 2.205 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722382250 GRXHNOCJBCQGKJ-FUMNGEBKSA-N 439.560 2.358 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1722384865 YWQMXWLHFSHXNX-AWEZNQCLSA-N 430.411 2.233 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1722511483 ZTBLCXKBBBCJAO-FXAWDEMLSA-N 433.578 2.116 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1nccs1 1722537612 PEDMCYHBQLNNGK-HZPDHXFCSA-N 439.607 2.469 30 10 IEEE C=CCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1722689548 URGYNKBAAYGWHK-GOSISDBHSA-N 431.459 2.011 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1722705023 SCIWSRDEVOHXSV-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722705178 BTXSBEZSGWETTI-IBGZPJMESA-N 443.548 2.419 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cnnn1 1722959555 UIXSCBIOFVLNIZ-LJQANCHMSA-N 435.536 2.393 30 10 IEEE CC(C)N(CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1723540396 RKBJELMZRCHJFW-PZJWPPBQSA-N 429.613 2.467 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(F)CCC1 1723596571 JOYQKBPSZJMTCK-UHFFFAOYSA-N 427.484 2.234 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1723779827 NZUYUKMKPVASCB-ZWWNWMABSA-N 448.568 2.486 30 10 IEEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1730349614 JSUGJRLJLXWQOT-UZLBHIALSA-N 434.500 2.388 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1730423186 SWNNSRAACQHNKZ-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CC2)C1 1731018449 KZBICIAHHGOUOL-UHFFFAOYSA-N 444.561 2.048 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1731188973 DATKFNHIYQSIBF-SJORKVTESA-N 442.486 2.175 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccco1)N(C)C 1740542632 XXUZQYLVOQNGBT-QFBILLFUSA-N 431.504 2.275 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](COC(C)C)C1 1740595366 RNYMVFAREGRHDG-KRWDZBQOSA-N 431.562 2.313 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740598263 KGLDYMSYLXVMAS-IRXDYDNUSA-N 430.553 2.229 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(N2CCOCC2)CC1 1740663197 BZQVUZDMGITUBX-UHFFFAOYSA-N 447.381 2.370 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1740724932 DZDUAUZSMAGHAL-ZTCOLXNVSA-N 445.608 2.279 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1740799680 RZZWKOZFDUQPQE-QGZVFWFLSA-N 425.599 2.173 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740886363 FAUFFBDLOQYHGR-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2N2CCOCC2)nnc1C(C)(C)C 1740965014 KWCKWLFKQSUCIB-UHFFFAOYSA-N 426.565 2.351 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1741129601 FQVKZYQGAGXLLJ-VJANTYMQSA-N 444.559 2.462 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)Br)cs1 1742592112 MRUHDVCVKWEFMD-NSHDSACASA-N 433.282 2.350 30 10 IEEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1=O 1746426542 ALRQJRBVTRBFJN-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748678722 XOZWGYPBDZFZPR-CVDCTZTESA-N 430.556 2.337 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCC2=O)CC1 1748729820 BSDOMJLWWGVAES-RXVVDRJESA-N 429.565 2.397 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811868 MSLQXSDRCBOINF-FQEVSTJZSA-N 436.541 2.019 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1748922560 CPKKPDYETMUZCP-GOSISDBHSA-N 447.543 2.049 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC2CC2)CC1 1749347882 HQBNVRIJZWFUAM-UHFFFAOYSA-N 428.562 2.198 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749390136 AVWFASIIXYLHNY-IRXDYDNUSA-N 441.598 2.019 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1749449320 PMOFLRFDLIWWLA-QFIPXVFZSA-N 441.557 2.380 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)C[C@H]1OC 1750186196 APJVQOFAYHZDEN-BGYRXZFFSA-N 438.532 2.069 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760185203 RWANBYBDRJVTDV-XMSQKQJNSA-N 440.525 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N(C)C)CCSC1 1760245302 YQFMNUCYLSBSQK-OAQYLSRUSA-N 444.561 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2oc(CC)nc2C)CC1 1760270012 RQABBAWGKFPBAV-SFHVURJKSA-N 440.548 2.045 30 10 IEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1760274302 MCWQKOKXKJVVPH-CQSZACIVSA-N 434.363 2.386 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1760306531 DYSWLCQFFGTAHH-JTQLQIEISA-N 428.722 2.161 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760334430 AAADIQGRMSNZIJ-MJGOQNOKSA-N 439.564 2.300 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760455450 PXCAJUZAOPKRPB-XUZZJYLKSA-N 441.576 2.453 30 10 IEEE CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1760880882 KWNBHGMWGHPYSR-GVDBMIGSSA-N 434.541 2.408 30 10 IEEE CC(C)CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1761091626 QDKUQNUALKYQQG-FQEVSTJZSA-N 437.548 2.483 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1762022991 AHBFTMWNKAEWQE-UYAOXDASSA-N 438.580 2.453 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1762404509 JDAPWVZWJCWKPV-NRFANRHFSA-N 443.573 2.383 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1767185460 LMDXINUMQXRZFH-FBMGVBCBSA-N 431.447 2.281 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)o1 1770739821 BAUNQVXSZWXEEJ-AWEZNQCLSA-N 436.394 2.090 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1 1849093288 NHZZVAARWILNEH-UHFFFAOYSA-N 436.899 2.460 30 10 IEEE CCN1CCN(CC(=O)Nc2ncc(C#N)c(-c3ccc(Br)cc3)n2)CC1 1851474133 OKEXFQHWMVAWRS-UHFFFAOYSA-N 429.322 2.354 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1C 1852374294 RAEAETBYVVIXAB-MRXNPFEDSA-N 439.541 2.484 30 10 IEEE Cc1ccc(OCCN2CCN(C(=O)c3nc(C)cc(C(F)(F)F)c3C#N)CC2)nn1 1852721549 LJQCCADGTHSWFP-UHFFFAOYSA-N 434.422 2.216 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1 1862606223 MXIZMZJXFUSLGE-HXUWFJFHSA-N 440.427 2.311 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(F)c(F)c2)CC1 1866867086 MMSTWSRNSVJDRA-ROUUACIJSA-N 448.495 2.419 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC)cn1CCCN1CCCC1=O 1870333367 VQEDDYOPWAODFE-UHFFFAOYSA-N 445.560 2.367 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871655683 TXZWHTPHCUBDGJ-UHFFFAOYSA-N 447.946 2.174 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(NC[C@@H](C)O)ncnc21 1873627199 DMLKITHLSXQRJJ-QGZVFWFLSA-N 449.559 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1962849097 RSUZIDFJSUQSKZ-UXHICEINSA-N 428.533 2.106 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccnc1I 1985068372 ZWYYOXVSBXGMEU-JTQLQIEISA-N 430.246 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1(O)CCC1 2014486501 UOGGQIFLEDQFTB-OALUTQOASA-N 428.533 2.031 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060634524 AUMYHHRTMLTGKM-HNNXBMFYSA-N 440.321 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751769 IGUXPLPJKWTYEM-HBBPJZECSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cccc(-n2ncc(C#N)c2N)c1 2087878467 AFZBYMGNPRFVNQ-RDJZCZTQSA-N 428.468 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124538373 JCCFICGMJSROIM-VNQPRFMTSA-N 444.341 2.360 30 10 IEEE C=CCN(CC=C)C(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195286212 IUNTUYQCXOLZSZ-VPTFNQTCSA-N 436.530 2.094 30 10 IEEE C=CCN(CC(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO)C(=O)OC(C)(C)C 2214638677 ZGQBMVYBECFPCE-ZACQAIPSSA-N 439.553 2.096 30 10 IEEE C#CCn1ncc(N[C@@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2226266151 YEHZPHYSSITMLC-VXGBXAGGSA-N 429.290 2.398 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644337 IBGBJHODPFMWCX-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255826528 BJWIIXKEUMOTGL-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835782 QGDCEVVRKPQWPM-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)C[C@@H]21 2256720697 HCUVFYMPYXACCZ-YESZJQIVSA-N 434.342 2.152 30 10 IEEE C[C@@H]1C[C@@H](N(C)C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1Cc1ccccc1 2267138619 WKOJVLQHWJCNNK-IEBWSBKVSA-N 438.381 2.454 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C(=O)OC(C)(C)C 2267272858 DWTAKCNVQBZWCX-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267507359 MZQDSWJUVNXSMR-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2267518076 CRTYIGFWIBDCOT-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267521389 RLNIHSMAUHTFGC-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC3[C@H]4C[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2267548619 TXOMLOLBSQFZOQ-ROUUACIJSA-N 434.349 2.026 30 10 IEEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268635581 STTOSIIBTXANIK-RKVPGOIHSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268646391 ZDQZPNDLMLRNBJ-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269082490 HXFHOFLOUHVDRF-HNAYVOBHSA-N 440.305 2.169 30 10 IEEE CN(Cc1c(Br)nnn1C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284372209 FKXAUMHDPZMVHK-UHFFFAOYSA-N 426.099 2.047 30 10 IEEE C=CC[C@@]1(CN)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2287789602 FATIOVNXCXSODG-RTWAWAEBSA-N 437.537 2.100 30 10 IEEE COCCO[C@@H]1C(=O)N(C2CCN(C(=O)c3cccc(C#N)c3)CC2)[C@H]1c1ccncc1 2297646920 YCPBFQFRAMDLMK-VXKWHMMOSA-N 434.496 2.173 30 10 IEEE COC1(CN=c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)[nH]2)CN(C(=O)OC(C)(C)C)C1 2315392109 LDURQCBLRKYSHH-UHFFFAOYSA-N 433.358 2.159 30 10 IEEE C=C(Br)CS(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1(C)C 2316262999 ZNTIJAFAQGBZKQ-UHFFFAOYSA-N 430.412 2.411 30 10 IEEE Cc1cc(C)n2[nH]c(=NC(=O)COc3ccc4c(c3)OC(=Cc3ccco3)C4=O)nc2n1 2325141020 AWOLQSQEQLCZOM-UHFFFAOYSA-N 431.408 2.390 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334272663 GSWKROZLBYTOFH-HYVNUMGLSA-N 445.369 2.452 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)[C@H]2CCN1C2 2368600258 BJMIZPRATBFKSP-WDEREUQCSA-N 446.086 2.476 30 10 IEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 21712930 NSODKEXRYVWIID-HXUWFJFHSA-N 443.525 2.403 30 10 IEEE N/C(=N/O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 96708894 YKPLFFMIIHFKHY-MRVPVSSYSA-N 441.145 2.359 30 10 IEEE O=C(CN1C(=O)/C(=N/NS(=O)(=O)c2ccccc2)c2ccccc21)Nc1ccccc1 100501207 WZJGPUOFRSHFBM-DARPEHSRSA-N 434.477 2.355 30 10 IEEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(S(N)(=O)=O)cc1 254483541 LGYLWMTVHRSFIN-QGZVFWFLSA-N 444.538 2.480 30 10 IEEE C=CCn1c(=NC(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(C(=O)OC)ccc21 254750571 LUUJTQSEVCIMHY-UHFFFAOYSA-N 435.461 2.399 30 10 IEEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 303418412 XDDLYMSUWCFURS-INIZCTEOSA-N 431.968 2.415 30 10 IEEE Cc1cccc(NC(=O)COc2ccc(CCNC(=O)[C@H](C)n3cnc(C#N)n3)cc2)c1 409503945 RSWKZTWCSLJFEU-KRWDZBQOSA-N 432.484 2.396 30 10 IEEE CCOC(=O)c1nnc(SCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)s1 447328125 YMZUCRXETYMIFO-GFCCVEGCSA-N 437.572 2.277 30 10 IEEE CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 474213939 ZXVCJALVQCJJOB-INIZCTEOSA-N 441.557 2.043 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccc(F)cc3)c2=O)nc1 478747272 NUOKXKOFHDSDBN-MRXNPFEDSA-N 449.507 2.240 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2OCC)CC1 479309435 BXVZHZBRXIIMCN-UHFFFAOYSA-N 425.327 2.300 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c(OC)c1 497489870 ARFUBKUGNAPLMK-KORDQABASA-N 429.605 2.406 30 10 IEEE Cc1cc([C@H]2CN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CCO2)ccc1F 497573403 SXSWIXCEWXJEIH-LJQANCHMSA-N 431.489 2.458 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1Cl 502035862 XDVZZBNANQMZPK-ZWKOTPCHSA-N 444.944 2.089 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 503854589 BGTTYUJFOVLPDQ-SFHVURJKSA-N 427.482 2.127 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 509002452 QQHZGLOXPXTDIV-UHFFFAOYSA-N 435.550 2.056 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C)cc3)c2=O)n1 516901916 MVGROVKPYMQBQD-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cn2)c1=O 522241544 WQTHESTXYNBDRP-UHFFFAOYSA-N 432.343 2.350 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(OC)s3)c2=O)cn1 531910232 ZEFFZMYIVULYSD-UHFFFAOYSA-N 440.550 2.058 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1c(C)nn(-c2ccc(F)cc2)c1C 537310065 CQSWRUBCPABPEG-IFXJQAMLSA-N 439.451 2.073 30 10 IEEE CC(=O)c1ccc(C#N)cc1N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 543449110 CDKCMJRFXZEODR-UHFFFAOYSA-N 428.470 2.488 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]2CCCC[C@H]21 550453335 TXVQLVALQFVWQG-CHOVIJNXSA-N 444.624 2.024 30 10 IEEE Cc1ccc(C(=O)NC(C)(C)c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCC#N 557991009 NGPHKOGERJHSIH-UHFFFAOYSA-N 430.408 2.469 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 573607528 ROVLHMITPACQIW-IBGZPJMESA-N 428.968 2.451 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609029541 JGYSNCNHDFCBSR-BEFAXECRSA-N 440.573 2.323 30 10 IEEE Cc1ccc(-n2ncc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2C(F)(F)F)cc1 731862368 FATLMDDNWYXDRL-KNTRCKAVSA-N 433.390 2.456 30 10 IEEE N#C[C@@H]1CN(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)CCN1C1CC1 732674701 LEGHGVZZFFKTTD-LJQANCHMSA-N 430.984 2.234 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 735116199 CMLOPIKSLBBRJB-ZBJSNUHESA-N 425.391 2.452 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 742192373 VQJLPLCXFWDSBH-CUWPLCDZSA-N 427.574 2.369 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCOC2)cc1 752844064 DWDQPASJGDPUFH-PKOBYXMFSA-N 438.532 2.079 30 10 IEEE C=CC[C@@H](NC(=O)C[C@@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757468897 JQPNKSQQWCRXOH-QVKFZJNVSA-N 438.480 2.422 30 10 IEEE COc1ccc(-n2c(-c3cnccn3)nn(CN3CCN(C4CC4)[C@@H](C#N)C3)c2=S)cc1 764992198 XEMMKQULOZFCTG-SFHVURJKSA-N 448.556 2.499 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NN=C2CC(=O)N(C(=O)OC(C)(C)C)[C@@H]2C)nc1 766435014 WTYSMULXDKCDBT-GFCCVEGCSA-N 425.511 2.092 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)c(C)o1 767956330 RYDHTASASFFCTO-UHFFFAOYSA-N 435.549 2.443 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)c1ccccc1 769275621 OGXRLVFFPIWTER-HKUYNNGSSA-N 429.542 2.032 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(N2C(=O)N[C@@]3(CCSC3)C2=O)c1 771923266 XBQGUXMGKOORFX-DSPRMBBKSA-N 436.559 2.212 30 10 IEEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 774188266 UFZWYINNGLLJMB-FQEVSTJZSA-N 443.500 2.410 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 774704585 QBAUNKIEYVTQHT-WOJBJXKFSA-N 433.597 2.153 30 10 IEEE Cc1nc([C@@H]2CCCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 779699440 HOAQZXJZEGMODQ-INIZCTEOSA-N 431.518 2.341 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781660027 GNAKUIYSMSELCA-UHFFFAOYSA-N 435.549 2.216 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781660124 HGPWDDPWSZZVFS-UHFFFAOYSA-N 449.557 2.319 30 10 IEEE CC(C)(C)OC(=O)N1CCC(SCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1 784832362 ORZLQVRGWRWCBF-UHFFFAOYSA-N 447.517 2.482 30 10 IEEE COC(=O)[C@@H]1CCC[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 785945124 CFIIMIDCDMYGOX-MSOLQXFVSA-N 434.514 2.234 30 10 IEEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)Nc1ccccc1SCC#N)S2(=O)=O 790027529 UTDUWKRYLKJMAD-UHFFFAOYSA-N 447.494 2.103 30 10 IEEE COC(=O)c1cc(S(=O)(=O)NCC2(CC#N)CC2)ccc1I 797458397 HMWDWUXPNBFPFR-UHFFFAOYSA-N 434.255 2.050 30 10 IEEE C#CCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CCS(=O)(=O)C1 800735223 QKJMZYBFWDWDEJ-DOMZBBRYSA-N 427.320 2.105 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccccc2Br)n1 805082988 HCAQEPVXMOLFJB-UHFFFAOYSA-N 426.336 2.257 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCN(Cc3ccc(C)cc3)CC2)n1C[C@@H]1CCCO1 812272634 LURQOAWNUKBKBX-DEOSSOPVSA-N 446.599 2.156 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)n1 856714181 WWCXRCILIUXALJ-KSFYIVLOSA-N 427.480 2.065 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 917767897 FJSCWALYANSMLL-MRXNPFEDSA-N 442.585 2.159 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)COB2O)[C@H]1CCOc2ccc(Br)cc21 1136804638 HQSJCAPIHBUDBL-SFHVURJKSA-N 426.075 2.266 30 10 IEEE C[C@@H](C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1137430648 YAOPSJMRKVXVLT-RDTXWAMCSA-N 427.505 2.428 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1154866982 OQWSPCGUTYGAMO-LBPRGKRZSA-N 449.392 2.061 30 10 IEEE Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1161311379 HUTRNYVLRVHFDP-JOCHJYFZSA-N 436.493 2.260 30 10 IEEE Cn1cc(Br)c(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1234023506 JIXLGIXQGXVGAS-OAHLLOKOSA-N 431.294 2.049 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)Oc2c(F)cc(C#N)cc2Br)n(C)c1 1280410831 WXSQMIRRNMMLAN-UHFFFAOYSA-N 430.255 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCS(=O)(=O)NC 1286302623 VATLJKFWIZFXGU-KRWDZBQOSA-N 433.578 2.296 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286348047 UACKLPCXSXTLHF-QGZVFWFLSA-N 440.573 2.411 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286390582 AZUUFTCCRPFIKB-HUUCEWRRSA-N 434.484 2.140 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1286436979 DAIRXSQNIIWJPS-HSZRJFAPSA-N 425.533 2.128 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1286479934 JDDHRNACLFGJGA-WOJBJXKFSA-N 439.560 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1286519460 XNYYNVLUQYYRKF-NNLJWKLDSA-N 432.565 2.362 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286554464 HKWKHYSULHCYQK-ZVDOUQERSA-N 431.581 2.458 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(CCN(C)C)CC2)C1 1286804522 LZCLZUNTHXTVQT-FQEVSTJZSA-N 427.597 2.328 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CCC2)C1 1286810062 XXHRPHCWWGRWJP-QGZVFWFLSA-N 431.562 2.397 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1286964918 GJZVWWJHGZTEHD-CYBMUJFWSA-N 431.447 2.070 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@H]1CCCS1(=O)=O 1288370743 USLUMOYOFZCINU-CYBMUJFWSA-N 445.335 2.182 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1290857670 DCYUUVCOBSQOFW-QGZVFWFLSA-N 434.470 2.064 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCC(C)(F)F 1291194716 CGHABUJLTMHNNF-LSDHHAIUSA-N 432.479 2.204 30 10 IEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)c1ccco1 1298036454 ALBBWYUNDLTHRE-GOSISDBHSA-N 425.537 2.426 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300340173 VUGTTYXTTIOROK-QGZVFWFLSA-N 444.561 2.132 30 10 IEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1300635021 AFQSCLNIPORQQA-GHVJWSGMSA-N 443.511 2.267 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OCO2 1300652893 FAJVIUBELOVFSZ-QHCPKHFHSA-N 442.516 2.182 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2SC)CC1 1300680814 FLALRNTZIZKSPZ-UHFFFAOYSA-N 430.553 2.081 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(N)=O)CC1 1300741454 XEZNICJUQGCKAO-UHFFFAOYSA-N 437.367 2.104 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300760374 ACAWTDYKSSUDMW-KRWDZBQOSA-N 431.541 2.142 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300823821 KCYVEVOUTINRFH-RHSMWYFYSA-N 439.402 2.299 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCSC)CC1 1300883143 RZLPZKAZIOTDIL-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1300901019 VPKSNMZJZOGKDC-NRFANRHFSA-N 433.940 2.415 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)C1 1301538712 KGKTYEVKQXCDEW-STQMWFEESA-N 439.504 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)NC)C1 1301542669 PYKZEPNSAIVMJB-MRXNPFEDSA-N 431.518 2.022 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1301569575 ZLEOPNVILOXLAD-UHFFFAOYSA-N 443.617 2.292 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1nccs1 1303809238 HEIGMNKRRAOMIE-AWEZNQCLSA-N 445.574 2.096 30 10 IEEE Cc1csc(C[C@@H]2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1304007350 UKSIXUUFWHEZQK-HIFRSBDPSA-N 432.571 2.360 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)nn1 1312898542 PBSVFAMPOCAXTB-UHFFFAOYSA-N 426.456 2.213 30 10 IEEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1313391010 RFCJBLXPYSPDAS-GSVIPDFHSA-N 447.557 2.379 30 10 IEEE COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1315764507 BWKVHTJAQZKBRY-HNNXBMFYSA-N 434.566 2.069 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)NC(=O)OC(C)(C)C 1316497199 WXOCRRTUKLNGNP-MRXNPFEDSA-N 445.568 2.444 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1347373397 RGLPBQGWKSBTPN-UHFFFAOYSA-N 443.525 2.305 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1358871628 IFOGNRJZPUDKSU-KBPBESRZSA-N 437.516 2.356 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358924714 GEMXQNQPJUASSR-XXBNENTESA-N 445.571 2.219 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358965099 NSEAEAMHXURWJP-LJQANCHMSA-N 448.564 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@H]1C 1358978826 VYOCARYROWONJC-DVECYGJZSA-N 433.560 2.076 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(OC)CCOC1 1358983245 ANAQFOLLORKVPS-QFIPXVFZSA-N 426.542 2.457 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359001856 FYEDVLOMUFJZRT-YYDVJCTNSA-N 433.597 2.278 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1359036270 RUMCWWFDKIQTKM-PCCBWWKXSA-N 428.625 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC=CCC2)CC1 1359040882 IRNQBZWCLGCSGK-OALUTQOASA-N 429.565 2.324 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359062671 PELHLJYKGNBGAP-ZNMIVQPWSA-N 434.484 2.136 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359127093 ICPAGPNXJOGWRW-ZDUSSCGKSA-N 437.342 2.295 30 10 IEEE C=CCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359221085 RBCLYCCQCCQPBE-JOCHJYFZSA-N 427.553 2.402 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1442549941 WNIXVSGPNFDLLI-LJQANCHMSA-N 447.557 2.497 30 10 IEEE CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1443909680 AWQNKOCUCCHTNW-RDTXWAMCSA-N 435.546 2.332 30 10 IEEE COc1ccc(Br)c(C(=O)NCCCNC(=O)c2nc(O)c(C#N)cc2C)c1 1447685419 VCSZNTYFUZUEIT-UHFFFAOYSA-N 447.289 2.288 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c1 1454564837 ZOFXFSYMZSARGJ-UHFFFAOYSA-N 438.546 2.145 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C[C@H](O)COc3ccccc3C#N)C2)cn1 1460652385 QFAVRQKIOISLIZ-DYXWJJEUSA-N 440.544 2.479 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccnc1C(=O)c1ccc(F)cc1 1461868802 AFWFXJMSYBMJNG-UHFFFAOYSA-N 438.440 2.129 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(C)C 1464867110 ACZLTUBZMCVSAW-OALUTQOASA-N 436.597 2.269 30 10 IEEE CC(C)(CCC#N)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1468681226 ILWLANZIRMBRPZ-OAGGEKHMSA-N 427.567 2.103 30 10 IEEE N#Cc1c(CCCNC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)nn(-c2ccccc2)c1N 1472486085 APNJCNPQTDOQKN-XLIONFOSSA-N 439.516 2.076 30 10 IEEE CC(C)[C@H]1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1478668948 ABFLIPMNWNFJNE-UYAOXDASSA-N 434.562 2.025 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cnccn4)n3CCC(C)(F)F)CC2)c1C#N 1492727677 CUTCNVNERWQXMP-UHFFFAOYSA-N 442.478 2.021 30 10 IEEE CCOc1ncccc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1502924098 CPSZIGIVJBRARY-GOSISDBHSA-N 435.444 2.424 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1503843891 DNCRSWRXQXUSFU-NOVUIFNWSA-N 427.530 2.117 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1 1505083245 WWDGVRPVKWPLOM-UMGGQSCQSA-N 427.505 2.198 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507571641 IQDGWDSEYLUWEJ-AOMKIAJQSA-N 428.537 2.031 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCNc1nccc(C(F)(F)F)n1 1507651198 GOFXRTOLYDSUDK-UHFFFAOYSA-N 440.433 2.258 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccn1C(F)F 1507680617 JTHGKJXFXIEXKM-UHFFFAOYSA-N 434.472 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OC)CCCCC2)CC1 1507721190 ZMJUMCBBXFSRGU-QHCPKHFHSA-N 431.581 2.035 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1507732498 WAHSXYTXOJVHFP-QGZVFWFLSA-N 432.475 2.320 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507750422 UUJITEDDCQZPEC-UHFFFAOYSA-N 441.605 2.274 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507836008 TWMCWCXTJBQTTR-QZTJIDSGSA-N 427.553 2.437 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1508081709 MWZRFRWNYKUFEM-UHFFFAOYSA-N 449.559 2.059 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)C1 1508122061 HPNWYQQUNINDBI-IXDOHACOSA-N 430.578 2.375 30 10 IEEE CC(F)(F)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1510131665 FMPPMRHUPBJFCF-QGZVFWFLSA-N 430.459 2.289 30 10 IEEE COCC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)CC1 1518665345 CZONFMMMGDSLMP-UHFFFAOYSA-N 448.527 2.422 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)C[C@H](C)O1 1518912412 ASOPYCDZJWFSCR-UWJYYQICSA-N 435.532 2.423 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1519260087 HIPMVTJLOWFCQM-IBGZPJMESA-N 447.628 2.158 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3sccc3CC#N)CC2)c([N+](=O)[O-])c1 1525263410 PBTIKJDBHSZOQT-UHFFFAOYSA-N 434.499 2.088 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc(OC)c1OC 1536334855 BWIYRHDTKZZJMW-IVZQSRNASA-N 449.504 2.419 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539111479 WHWPZOPIJWLIMF-IBGZPJMESA-N 435.576 2.323 30 10 IEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1539206662 UFEMAWAHRUNSEH-UGKGYDQZSA-N 448.589 2.057 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCc2ccccc21 1539233043 ZDIJUDHTCZNLPM-IBGZPJMESA-N 439.523 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCN(C(C)=O)CC1 1539251813 RAEJYRXXVONFRE-UHFFFAOYSA-N 435.528 2.294 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)CCOC)CC1 1539459595 LFSLATCSAIBRDO-XMMPIXPASA-N 441.576 2.017 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1539491783 VUOWJRKROBTOBZ-NRFANRHFSA-N 431.537 2.020 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1539976679 CRALLYXGMMFCSC-LJQANCHMSA-N 444.967 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540866230 HMEZTJCYRXYMQC-HNNXBMFYSA-N 426.912 2.023 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(c2nccs2)CC1 1540874016 RYUPVORWFFNPAU-UHFFFAOYSA-N 429.594 2.486 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1540918545 TVGNRVHXGHNOQH-QGZVFWFLSA-N 427.534 2.452 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCn2ccnc2C)cs1 1542925637 BWEOLBNGGBWISX-SFHVURJKSA-N 426.550 2.348 30 10 IEEE CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1545947735 CRFCDEFVJDGOMC-KKSFZXQISA-N 426.500 2.242 30 10 IEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(=O)NC 1547689522 GSZMBCLTFHVBJJ-IBGZPJMESA-N 439.564 2.175 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(C2CC2)C1 1554284466 DOLOLHWHLDPAAO-GOSISDBHSA-N 442.589 2.172 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1555430494 XQJMPAGNYPXEJG-MONBJTKQSA-N 443.548 2.377 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)C)n1Cc1cn(C2COC2)nn1 1555544589 FHKCUOYTAXPNTR-UHFFFAOYSA-N 436.520 2.137 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(CC4CCCC4)n3CCOCCCO)CC2)nc1 1555990963 JWKSMDOUWMPOAK-UHFFFAOYSA-N 439.564 2.003 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1557342236 YTSHFJLLHQZAHV-GOSISDBHSA-N 431.514 2.030 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)c1[nH]cnc1CCN2C(=O)CC1(C#N)CCOCC1 1557595525 XUTNLVCZYDUEPX-QFIPXVFZSA-N 429.521 2.341 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)nc1 1557596422 JNDOAJMGRHONDK-UHFFFAOYSA-N 434.468 2.306 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 1561572739 SGMWCSCZHVRBEY-CVEARBPZSA-N 427.526 2.247 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCS(=O)(=O)CCc3ccccc3)C2)nc1 1564642478 LWUVMWUMGKTRNM-FQEVSTJZSA-N 441.557 2.197 30 10 IEEE COc1ccc(CNC(=O)N2CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C2)cc1C#N 1565271991 KYMKSXWRDMJTHO-GOSISDBHSA-N 432.521 2.470 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1585625035 LPVGDPQCCNFAOI-BBVCAZISSA-N 435.402 2.108 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)CN1CCOCC1 1587599488 OCMXEOBNRFJYDZ-ZWKOTPCHSA-N 427.549 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1CC1CCS(=O)(=O)CC1 1588697261 RJHJGUNQVVSPEW-UHFFFAOYSA-N 446.573 2.076 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)c(F)c2)CC1 1588752978 YDTGWZHKMZNUBQ-QFIPXVFZSA-N 431.487 2.012 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2ccnn2)c1C 1611828329 DSNXKDLBZZPYFD-RTBURBONSA-N 436.520 2.446 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C(C)C)N2CCOCC2)n1 1612476824 BRGBFYQAKQODOL-ICSRJNTNSA-N 428.585 2.235 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCSC2)C1 1617385432 AZGDJEVBAKSFBD-FQEVSTJZSA-N 446.602 2.089 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1618347031 GBAGOXJWTMXIGZ-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1(C)C 1619533873 JGGFOJOLFPIYJU-CVDCTZTESA-N 441.532 2.395 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CCO1 1619736524 DJFVITFXGULXKB-GOSISDBHSA-N 438.463 2.281 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC(=O)N1 1619900029 PYAIKGIALQPABG-OAQYLSRUSA-N 445.527 2.067 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)n[nH]2)c1C 1623880722 YIESFCUPYLWJHF-SFHVURJKSA-N 433.516 2.392 30 10 IEEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC2=O)c1 1624129161 CAJSDKLXGYYCNO-GOSISDBHSA-N 434.496 2.277 30 10 IEEE COc1cccc([S@@](=O)CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 1625970006 ONZCJEXHKNZXQS-WRQMMDRMSA-N 449.554 2.254 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2c(c1)OC(F)(F)O2 1627306551 GTFUHSMWNJOOPX-UHFFFAOYSA-N 437.424 2.143 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 1631546803 KDTQEICLMSDMSN-DOTOQJQBSA-N 435.546 2.116 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(CC2CC2)[C@@H](C(N)=O)C2CC2)C1 1632430861 NIASUMUMLSCJEH-GOSISDBHSA-N 431.334 2.259 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)c1n[nH]c(C)c1I 1632783604 KQJCGKMWJMEBEV-UHFFFAOYSA-N 426.214 2.472 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 1633364176 HCCPNNSZJSXRBX-IAGOWNOFSA-N 441.525 2.228 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 1640766933 HPMNYZQEYCRXME-MRXNPFEDSA-N 427.542 2.293 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)[C@H](O)c1ccc(C#N)cc1 1640777136 YPNVPTJXDKHHQT-IFXJQAMLSA-N 433.302 2.330 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1OC 1642543602 VZYBEYIIRGMODQ-UHFFFAOYSA-N 429.498 2.062 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCOC1 1649672782 DRVIBWDNJLDRBE-MOPGFXCFSA-N 449.353 2.328 30 10 IEEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCCCC1 1660314116 BWYCFBGSNULTBA-UHFFFAOYSA-N 439.528 2.114 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)C2=O)cc1 1671575985 ASVMIQUPVKIIKU-WOJBJXKFSA-N 438.509 2.023 30 10 IEEE C=CCN(C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1679445907 KHDHLVVGPSVRHL-AWEZNQCLSA-N 426.539 2.167 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)c1 1684354706 XHDHRQOJSNIPCP-QHCPKHFHSA-N 435.528 2.407 30 10 IEEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(C#N)(C(=O)OC)CC1 1686824712 CFYCXAKGGFRICJ-WOJBJXKFSA-N 428.533 2.012 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@@H](C)c1ccccc1 1690019363 GOMIOBAEGPOKDT-PZJWPPBQSA-N 440.569 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2nnc(C)s2)CC1 1690150789 VMKZXNMQDOHZSB-UHFFFAOYSA-N 441.586 2.104 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1690309992 PZHYLVXYBXRUOW-GOSISDBHSA-N 440.548 2.157 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1690313430 UDPUOIRPJYCLBV-YLJYHZDGSA-N 430.505 2.235 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)N(C)C)CC1 1690408560 NTBKNTDAKMLTEN-UHFFFAOYSA-N 445.593 2.119 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1cnn(C)c1 1690667096 PWVGAOPGLHBHNU-UHFFFAOYSA-N 444.337 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690724646 TVQDRISHKYQEPW-ZWKOTPCHSA-N 447.561 2.173 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690746893 MOIMCXGGEALFDX-DYESRHJHSA-N 429.546 2.412 30 10 IEEE CCc1nc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1694596516 OIBIOWRIRQGQDI-LBPRGKRZSA-N 449.562 2.057 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H]1COCCO1 1697611732 DXKOYLHREQJADL-IIBYNOLFSA-N 431.468 2.113 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1697702103 BUTWYFINVIVRDL-SVFBPWRDSA-N 441.532 2.254 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1698025167 SFRCAJUALPZJCX-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC1 1705474824 FUYBGLVAAVKZAQ-IBGZPJMESA-N 436.560 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCC[C@H](O)C2)c1 1705505268 KMXUWWIZLRVBMB-ICSRJNTNSA-N 445.527 2.342 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705515831 OCMFVBJRPQTMJU-YESZJQIVSA-N 430.553 2.382 30 10 IEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705565373 UHENHRJPUQWJAR-GOSISDBHSA-N 439.541 2.157 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1705728057 SFYLWFQEFMQRLP-UHFFFAOYSA-N 430.578 2.489 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1705867133 IFUWENBJSRTZBE-FYQPLNBISA-N 430.597 2.135 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705905358 SNBUGZUSZIXXCQ-GOSISDBHSA-N 442.539 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N 1705931416 PDSUHFQRCOMQFE-LBPRGKRZSA-N 441.355 2.375 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1705940008 SJSNOPAMMJPUKE-INIZCTEOSA-N 443.639 2.205 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1708283318 FIEYWXWLAGLAPY-JKSUJKDBSA-N 446.602 2.182 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1710324317 JVPSNLDTNDWSFV-AVRDEDQJSA-N 426.496 2.412 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C(C)C)cc(OC)c1OC 1711653571 FJYOWOCAHUQWAA-KRWDZBQOSA-N 444.536 2.040 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN(C)C(C)C 1722279618 HVFGIVKZXAHTBT-SFHVURJKSA-N 446.621 2.384 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1722378059 LONSLVQTJHOSDW-HNNXBMFYSA-N 447.358 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)nc1OC 1722401079 KLTZFVCWZXLOHX-UHFFFAOYSA-N 433.516 2.063 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC(C)C)CC1 1722433808 DVPXGEANICNSFM-UHFFFAOYSA-N 432.931 2.408 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722439323 XVAZHHVQMLOUBX-SZPZYZBQSA-N 435.620 2.387 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1722458386 HVFXSPRDVKPNGR-JKSUJKDBSA-N 443.577 2.486 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1722460214 WDUUGZWNVTWWRT-RCCFBDPRSA-N 440.635 2.188 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722693626 VGVSITZXCQYTKS-SJORKVTESA-N 442.564 2.183 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722706829 ZAKBHSOHKAWSAX-UZLBHIALSA-N 441.532 2.172 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722738707 NZWQHPGYMQNNDO-IAGOWNOFSA-N 440.577 2.078 30 10 IEEE CC[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1727283904 LIIKLUIEOZRLJT-TWMKSMIVSA-N 434.541 2.203 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1728172396 PNZVLHLKIYBVRO-NTKDMRAZSA-N 449.559 2.038 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740585011 UHQFJIFOECGAAL-LJQANCHMSA-N 447.547 2.077 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740586768 MOYGSGOKRXMIEK-LJQANCHMSA-N 436.516 2.478 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3noc(C(C)C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1740597592 VZXYMBHNSKXHSW-HTAPYJJXSA-N 444.536 2.428 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H]1OC 1740602495 NLFUMHOWFWDNGC-HKUYNNGSSA-N 431.562 2.080 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1740613610 OIRCTMAECLSMQC-UHFFFAOYSA-N 434.544 2.443 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740623988 BQJUMPIKJCWCFC-UGKGYDQZSA-N 446.548 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-c2nc[nH]n2)cc1 1740644651 OHTUNPIRNNMMSE-UHFFFAOYSA-N 444.543 2.493 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1740669244 STDKVDDCCXNVBG-GOSISDBHSA-N 433.560 2.476 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCOc3ccccc32)CC1 1740690915 QCNHAMLEJQIKFQ-UXHICEINSA-N 439.560 2.324 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cc(C)on2)CC1 1740700382 QPNIZXUTTZSKDQ-UHFFFAOYSA-N 436.516 2.356 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccccc1 1740800117 HGUFTTIWDKTGHL-HOJAQTOUSA-N 425.533 2.382 30 10 IEEE C=CCCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1740866860 QETRJHLUDACSCB-JOCHJYFZSA-N 429.569 2.347 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)Cc1cnn(C)c1 1740953399 FBONEXNNRMKQGQ-UHFFFAOYSA-N 445.531 2.397 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1741698664 GSLJANPTTAKKMN-UHFFFAOYSA-N 436.438 2.235 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1743757706 SNWJUQCURUNSHD-TYPHKJRUSA-N 429.613 2.205 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ncn(-c3ccccc3)n2)CCOC1 1746645845 AJTNMIABDGKSAP-VGOFRKELSA-N 436.520 2.298 30 10 IEEE CNC(=O)c1cccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)c1 1748162769 BNLDWZCVQKOJJI-SBUREZEXSA-N 440.548 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CCOCC1 1748901977 DHRXGBGBXRBBGP-HSZRJFAPSA-N 433.556 2.473 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)cc2)CC1 1748995056 XRNGVODLRBQVKK-UHFFFAOYSA-N 434.569 2.382 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749028860 HXRPBJOWQXEBQY-UYAOXDASSA-N 441.601 2.477 30 10 IEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749294541 CJVHXIJCCKPOMN-GOSISDBHSA-N 437.548 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CC)C1 1749736967 UYSPPLSXBSFUQJ-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCOC1 1750068320 AHHIJILIHSODBC-HZPDHXFCSA-N 431.566 2.261 30 10 IEEE Cc1ccc(OC(F)F)c(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1751549672 AYIDJTYGWMFXPB-MRXNPFEDSA-N 446.458 2.087 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1760099828 MDBRVATZNFVUQX-SXWKCWPCSA-N 433.597 2.133 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F 1760224663 UBMKLFAWXXEATN-UHFFFAOYSA-N 436.438 2.285 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CCC3(C2)OCCO3)n1 1760253037 UXHZPXFOUYOJJV-IBGZPJMESA-N 442.564 2.427 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760264888 YLNIGASCYDKEAA-NHCUHLMSSA-N 434.544 2.035 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)N(C)C 1761425934 DSMOVMXZNITZOL-BBWFWOEESA-N 433.557 2.029 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1762025541 VUBXBJGCGPIGTO-UXHICEINSA-N 427.505 2.090 30 10 IEEE Cc1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CCO2)o1 1762477787 CLUHBIHUTFKDSW-MRXNPFEDSA-N 445.430 2.368 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1766682039 DBWNOVFBJVZXLM-UHFFFAOYSA-N 447.561 2.087 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1767008021 QLPAVTUNNCMNDQ-UHFFFAOYSA-N 430.578 2.283 30 10 IEEE CCOC1CC(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)CC#N)(N2CCOCC2)C1 1767663830 NPSHKUWEDYHGKS-NHFHJCFSSA-N 432.569 2.138 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1769551404 GWRBRJMIRLNKRQ-UGKGYDQZSA-N 436.520 2.037 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1769585812 BZMFJQGORKCOTK-ROUUACIJSA-N 440.548 2.457 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1769658103 DZCKTJAKQFBIIA-MOPGFXCFSA-N 425.537 2.046 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(S(C)(=O)=O)CCCC1 1770171487 FCIUUTGLALBNEK-IKGGRYGDSA-N 439.582 2.098 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCOCC2)c1 1771113389 SNLUJTUMWAHOJQ-OAQYLSRUSA-N 440.548 2.381 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCn2cncn2)cc1 1771532078 OMEMPQRXPUIYFP-UHFFFAOYSA-N 444.421 2.456 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(Br)n2)CCO1 1771537720 UIJBGGHJVBRAGU-UKRRQHHQSA-N 433.310 2.107 30 10 IEEE COc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)NC1CCCC1 1772790843 IATIUJXGDKYSBN-UHFFFAOYSA-N 444.465 2.284 30 10 IEEE C#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 1850766802 VHSJGHZGXAJRHY-UHFFFAOYSA-N 425.554 2.288 30 10 IEEE C=C[C@H]1CCCCN1C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1850812194 ODYVRUWIIHLMBO-HNNXBMFYSA-N 437.456 2.359 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccc(OC)cc2)c1-c1cccnc1)[C@H]1CCN(C)C1=O 1850861618 CXQJOXJUPHPFCD-IBGZPJMESA-N 432.484 2.197 30 10 IEEE Cc1nnc2c(N3CC[C@@H](NC(=O)c4ccc(Cl)cc4N=CN(C)C)C3)nccn12 1853203369 UFANVZQIAJRHJO-OAHLLOKOSA-N 426.912 2.316 30 10 IEEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cc(OCC(F)(F)F)ncn3)C2)CC1 1853688438 XMCCFPMGCWSGQC-AWEZNQCLSA-N 425.411 2.032 30 10 IEEE COc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)CCc3ccc(C#N)cc3)CO2)cc1C 1855467186 PVMIGTNGDHXQJW-GOSISDBHSA-N 430.482 2.356 30 10 IEEE COc1ccc2nc(N3CCC(C(=O)N4CCN(CCC#N)CC4=O)CC3)sc2c1 1856053228 VBADCSZEMPLAAI-UHFFFAOYSA-N 427.530 2.106 30 10 IEEE CCCCc1cc(O)nc(N2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C)CC2)n1 1859428113 KRMOBNCNFAYRHN-GOSISDBHSA-N 447.543 2.410 30 10 IEEE N#Cc1cccc(C(=O)N2CCC(C(=O)N3CCN(c4ccc([N+](=O)[O-])cn4)CC3)CC2)c1 1860620236 IFWZZIVJWBUCEX-UHFFFAOYSA-N 448.483 2.062 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(CCC)nn2C 1864320192 MSLSWRUXAWBUMV-GOSISDBHSA-N 426.517 2.131 30 10 IEEE COc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870140619 ARNAEPOLIRGMOX-BJMVGYQFSA-N 428.408 2.025 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)CC1 1870151654 DWTWZBXCLRJCRL-UHFFFAOYSA-N 440.460 2.453 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN1CCC(O)CC1 1870400314 CMALHMLEUGYLBZ-UHFFFAOYSA-N 439.512 2.211 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccccc1C(=O)O 1874289619 NJLPTJUUPJZOMX-LSHDLFTRSA-N 441.469 2.024 30 10 IEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccnc1 1874339007 FROUDRWFQDXWDE-CNPYVQQSSA-N 430.534 2.325 30 10 IEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccnc2)o1 1874433711 ULZYEDPIYOFOOZ-LSHDLFTRSA-N 428.474 2.253 30 10 IEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NC[C@@H]3CCCO3)ncnc21 1875228539 SQOWZGJOULMUIJ-INIZCTEOSA-N 442.520 2.123 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)CC1 1889491498 FPEQAISBHRERRA-UHFFFAOYSA-N 436.600 2.369 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1889704648 CWHMKRAMFKQGJO-UHFFFAOYSA-N 447.645 2.448 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3ccc(OC)cc3)CC2)CC1 1890308821 VOOBAEKLIADXPU-NRFANRHFSA-N 443.588 2.111 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC#CCN3CCCCCC3)C2)cc1 1890670445 WTIAGUFJRPMCJM-NRFANRHFSA-N 431.602 2.391 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1 1993332829 FRUMRDCJZIJUER-OAHLLOKOSA-N 427.542 2.382 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)C1 2060641019 BWDOOEYADFLSDQ-UHFFFAOYSA-N 435.374 2.376 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2068913208 WNJPHNFNBVSXHL-RDJZCZTQSA-N 436.358 2.394 30 10 IEEE C[C@H]1COC[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N1C(=O)OC(C)(C)C 2141666137 UOQMDZPUCRIVLA-HOCLYGCPSA-N 447.341 2.344 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229098368 BVLYPZOFPQYPOJ-CVEARBPZSA-N 425.323 2.385 30 10 IEEE C[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247835852 RNJLBDMPJBYBLN-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248412535 LEFMYQDZUGWHAJ-UHFFFAOYSA-N 447.313 2.219 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)n1 2255649674 LGKZZHOOEQKZQK-UHFFFAOYSA-N 431.342 2.475 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255832664 PLMVRONALIIPID-CHWSQXEVSA-N 449.382 2.346 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]21 2255861538 NQJIHVXBOPVGFI-HYVNUMGLSA-N 431.342 2.442 30 10 IEEE CON(CCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255878026 QWLZGYKNLSCLOF-UHFFFAOYSA-N 435.330 2.299 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255879931 XLPQZPUFXIQYFV-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE CCN(CCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256054739 AKJQKILPYLDSIA-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267099762 NLSPKZCVEVRCFE-RTBURBONSA-N 436.365 2.303 30 10 IEEE Cn1cc(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177361 MULZLTLDGXLEJS-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267185843 BBYGUUWDNXEJFN-UHFFFAOYSA-N 443.353 2.025 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267495106 YAIFLQSDSWGGMM-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267511276 ZTLDYWGCVKBMPO-GJZGRUSLSA-N 448.373 2.141 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267596037 YOTNSOXKWGZFFA-MSOLQXFVSA-N 446.353 2.350 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267605879 QRZHKARLIJUWER-QUCCMNQESA-N 434.349 2.122 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881958 MKZMRIJHSFXYQJ-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267882713 WJEGUWYFSYQSOD-AWEZNQCLSA-N 446.357 2.294 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2271430399 VXQUPDCPUXKDDQ-OAHLLOKOSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2272632607 RKBVQHSPEFNNCH-IQMFZBJNSA-N 443.353 2.368 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1C[C@@H]2CC[C@H](C1)C2=NO 2285894842 SWGMMXWJDPUYIS-XYPWUTKMSA-N 433.530 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2311109011 OWNVRTMOQAWOLN-YDFBLROQSA-N 436.358 2.443 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C 2315532054 DYUBTROHPNGYPD-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CCN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2315537506 VZFAZHOEFUBTTK-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)[nH]1 2337025063 HRZORIPQYZUUQX-AEFFLSMTSA-N 447.385 2.453 30 10 IEEE Cc1cc(CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652155 YWTMQUQPGJHKRC-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE Cc1cc(CNC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652637 FZWYSGUTKKQCCY-UHFFFAOYSA-N 446.353 2.458 30 10 IEEE C=CCNC(=O)N1CCN([C@@H](C(=O)NCCc2ccc(OC)cc2)C2CCCC2)CC1 36310634 MPESIBVRECKKQL-JOCHJYFZSA-N 428.577 2.426 30 10 IEEE CN/C(=N\c1ccc(C(=O)OC)cc1)S[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 105534961 SQOROEJGWPKNBO-INIZCTEOSA-N 441.465 2.444 30 10 IEEE N#Cc1cncc(S(=O)(=O)Nc2ccc(I)cc2C(=O)O)c1 390681950 UNMALTRRBRLDJZ-UHFFFAOYSA-N 429.195 2.057 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN(c3ccc(C#N)cc3F)CC1)CC2 428040783 XTSKGPNGJQUFML-UHFFFAOYSA-N 438.503 2.421 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)C2=O)cc1 436626835 LQFROYVXFPWIFY-UXHICEINSA-N 432.480 2.180 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2CCC(C#N)CC2)o1 441133731 IDTHPQNSJBAWRY-GPANFISMSA-N 437.518 2.056 30 10 IEEE N#CC1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 443225557 LAPAVJYDDOLXFF-UHFFFAOYSA-N 425.576 2.469 30 10 IEEE CSc1nc(O)c(C(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N 476452907 BVICRNSGFWWIGC-UHFFFAOYSA-N 439.541 2.240 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)CC1 480919026 BQXPYSSTTPVHFT-UARSRXHTSA-N 439.607 2.129 30 10 IEEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 503420137 RGTUWXQPROBLAI-RNODOKPDSA-N 435.502 2.018 30 10 IEEE COc1ccc(C)cc1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 503918816 BXPOSVULEQZHGL-UHFFFAOYSA-N 442.541 2.134 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)NC1CCCCC1 506930508 VXSQXMZHRFBESZ-GOSISDBHSA-N 446.529 2.199 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 508210384 VBOYQZSLZKTJAS-UHFFFAOYSA-N 439.516 2.366 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508866675 MFMOTLKVTOIKER-LJQANCHMSA-N 449.603 2.206 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 508875002 SWGRXALWAHNZJX-JLHGSKIFSA-N 436.520 2.270 30 10 IEEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)c1C 509632502 KDKMVASCHAODAV-UHFFFAOYSA-N 432.502 2.274 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511951740 GYQVWGZDMKJIKZ-SFHVURJKSA-N 447.916 2.135 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C 514917938 ROOTVZBXNUYPKK-UHFFFAOYSA-N 448.504 2.145 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cn1ccnc1C#N 537795097 KIUVLHGZTVKMMV-UHFFFAOYSA-N 432.550 2.270 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccccc4CN4C(=O)CNC4=O)no3)cc2C1=O 545015727 ZZMIEARVLWUPDT-UHFFFAOYSA-N 443.419 2.237 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)NCCc2ccc3ccccc3n2)CCN1Cc1ccccc1 552862638 AUOKZMJLUQRLIC-QFIPXVFZSA-N 427.508 2.130 30 10 IEEE Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 580250673 IWUKVEZYSMWRGR-UHFFFAOYSA-N 433.555 2.011 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1Cl 604017074 VVDFRWRRIXYPNU-UHFFFAOYSA-N 443.909 2.046 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1-c1ccccc1C 618638593 QYFYXOJIJNDZDV-UHFFFAOYSA-N 426.501 2.005 30 10 IEEE N#C[C@@H]1CNC[C@H]1c1cc(I)c(O)c(I)c1 687744781 LKLPYANBONMVFR-SFYZADRCSA-N 440.022 2.428 30 10 IEEE CCOC(=O)c1cc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc2s1 732706442 JXSMGLVKUSMKTA-MRXNPFEDSA-N 426.498 2.215 30 10 IEEE C#CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1CCOc2ccc(Br)cc21 733181897 TWPLZQCONXQHHF-OAHLLOKOSA-N 443.363 2.452 30 10 IEEE N#Cc1cccc(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 750434433 WAHJXFSAOFKBCQ-UHFFFAOYSA-N 427.482 2.067 30 10 IEEE Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 752617140 VSOPQRURFLYZFM-BBRMVZONSA-N 435.527 2.225 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCc2c(F)cc(Br)cc2C1 759578448 GAETXYZLHIMJIR-MSUUIHNZSA-N 437.269 2.182 30 10 IEEE C[C@@H]1CN(c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 765342509 GQHKSKIWOBIAAJ-BRWVUGGUSA-N 442.541 2.477 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 774184200 BDOWUGBNPUPCAS-UKRRQHHQSA-N 427.320 2.105 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCCn2ccnn2)C1=O)NCC(F)(F)F 782858183 QTCRCDZJWOZZLP-AWEZNQCLSA-N 440.451 2.369 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 783618641 RXZLQNBZABJLIP-QINSGFPZSA-N 434.539 2.430 30 10 IEEE COc1ccc(C(=O)OCc2ccc(C#N)c(F)c2)cc1S(=O)(=O)N1CCOCC1 791260867 VJOGQXVUHTZIRK-UHFFFAOYSA-N 434.445 2.084 30 10 IEEE Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 800770339 DOKWRXIDFMZULI-UHFFFAOYSA-N 445.527 2.435 30 10 IEEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 812192286 SWTGWONWJLCQDH-PYTPGESOSA-N 427.505 2.434 30 10 IEEE C#CCN(c1nnc(-c2ncccc2C)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 812363254 VZSORFSSHMEIOI-MRXNPFEDSA-N 427.555 2.385 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 916164335 XFHJKENMTKPVAB-IBGZPJMESA-N 429.498 2.421 30 10 IEEE COc1cc(C=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc2c1OCCO2 916358934 ZNYFUIJHZXUMEY-UHFFFAOYSA-N 432.502 2.482 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cnc21 916908107 LHGTZNJWDKDIHL-INIZCTEOSA-N 442.435 2.270 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC2)CCN1C1CC1 1118981019 BRLWDURNODVPOS-BBRMVZONSA-N 446.353 2.249 30 10 IEEE Cc1c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc(Br)cc1S(N)(=O)=O 1149469070 PLYTVWRDPPKDRA-UHFFFAOYSA-N 449.330 2.213 30 10 IEEE COc1cc(C#N)ccc1C(=O)N1CCC[C@H](n2nncc2I)C1 1153149908 UPRCFOBZNLSRIX-LBPRGKRZSA-N 437.241 2.240 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 1165507977 KAXKHMZGRFCXOR-UHFFFAOYSA-N 430.530 2.480 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1C 1166220878 FJCYWXGOIBBRMN-UHFFFAOYSA-N 433.512 2.116 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1166675388 VKZZAKKBGMNGND-BBJJLJPOSA-N 444.491 2.416 30 10 IEEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1177474958 HINXLDBHHXFKPX-NGWZKZSWSA-N 449.548 2.390 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1cc(=O)c(O)co1 1179891118 SJCLGUOUZBJIRV-IBGZPJMESA-N 425.441 2.368 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)CC1 1207587364 SFRRACCYAWHDEK-UHFFFAOYSA-N 449.349 2.110 30 10 IEEE C#C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)[C@@H]1CCCO1 1226724442 JCQGOGWIYAQXLO-NDXORKPFSA-N 433.574 2.096 30 10 IEEE CS(=O)(=O)CC1(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCC1 1230129992 HUQXJGSXRVKXJS-UHFFFAOYSA-N 441.557 2.153 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3c4ccccc4OC[C@@H]3F)CC2)cc1 1248656642 MAELZZJEBCYIEX-ICSRJNTNSA-N 444.488 2.046 30 10 IEEE CCS(=O)(=O)N1CCC(CNC(=O)Cc2ccc(Br)cc2C#N)CC1 1268830039 CWOQXMKNHFZJND-UHFFFAOYSA-N 428.352 2.041 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286347299 KCGRKWUHZTYZEG-GOSISDBHSA-N 440.935 2.258 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1286386201 WIBJPAJKZKPDKA-LJQANCHMSA-N 443.573 2.209 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1286442754 LKUZZQCLACJWNM-QGZVFWFLSA-N 436.516 2.111 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1286448001 VFLBQTOSWYJPQK-UHFFFAOYSA-N 444.586 2.072 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1286450204 OEOASUCZUWAJHK-FQEVSTJZSA-N 435.450 2.310 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(F)c1)N(C)C 1286461693 VPNLNUSUXQTUBQ-HXUWFJFHSA-N 442.539 2.042 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N1CCOCC1 1286464301 ZXQHDRUIZMWQIO-IBGZPJMESA-N 434.544 2.300 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](COC)OC)CC1 1286471234 HTRUSJDMNXAKDS-RTWAWAEBSA-N 441.576 2.452 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(Cl)cccc2OC)CC1 1286476613 AJGNLZRMXWQNFF-UHFFFAOYSA-N 425.924 2.144 30 10 IEEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286671571 TYQBFFPNECEEPF-UHFFFAOYSA-N 434.566 2.398 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286692670 LIPDDSGYHHPPMA-QGZVFWFLSA-N 431.562 2.277 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286786159 YVDABHZVCBVPLG-INIZCTEOSA-N 443.552 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@H](C)C1 1286823569 WHVGGZIVBLTRQQ-QZTJIDSGSA-N 443.573 2.496 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1288529002 FCMXAXZPKBADFJ-JGWKNBOWSA-N 425.518 2.195 30 10 IEEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1cccc(C#N)c1Br)C2 1297771176 FSBSTNSHCQAFLO-UHFFFAOYSA-N 434.315 2.427 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 1300042296 AOYFFSRNIISTTO-BBRMVZONSA-N 430.448 2.155 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1300448795 GTDKOGGLXNNOID-KRWDZBQOSA-N 437.422 2.006 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1300495187 FDTYZRQVHZZWCI-IRXDYDNUSA-N 434.587 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1NC(=O)NC1=O 1300564601 GGWRGDRIJKRIQG-KRWDZBQOSA-N 442.882 2.189 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC1CC1 1300657059 FQOMACDEANWLSA-UHFFFAOYSA-N 446.349 2.320 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2COCC)CC1 1300706630 QGZQRGMCIAYTNA-UHFFFAOYSA-N 447.587 2.480 30 10 IEEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C)C1CC1 1301330728 UIFGREKNCSLNGN-UHFFFAOYSA-N 425.505 2.193 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1301514508 JYRWNBBEZYVHFZ-HZPDHXFCSA-N 431.562 2.498 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nc2ccccc2[nH]1 1302098817 QUTREEAVSBECHG-IRXDYDNUSA-N 439.520 2.240 30 10 IEEE Cc1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1304805067 JFFNFVANRVKBMP-DVSFIDLUSA-N 442.545 2.360 30 10 IEEE CC1CCN(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CC1 1305106369 HUKZHXQRWDNAAC-INIZCTEOSA-N 448.369 2.496 30 10 IEEE CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1309188891 GJHXUYSKTGNOGU-JTQLQIEISA-N 441.344 2.294 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)C1CC1 1316345674 PMYIUVQUHOSKBC-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CCO1 1316538712 AHGNEDTXVZCISQ-GPMSIDNRSA-N 437.422 2.308 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1320495872 CLWNSYWYFOKKNT-IBGZPJMESA-N 432.542 2.242 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2nn(C)cc2I)c1OC 1358417426 RYFWTSWAQSDVSV-NSHDSACASA-N 426.214 2.037 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCc1nnc(C)s1 1359026144 MOEGZXPGWRZOIE-UHFFFAOYSA-N 436.545 2.005 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2cn[nH]c2)CC1 1359033297 XDALUQARQZLBPL-UHFFFAOYSA-N 435.532 2.073 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2sc(C)nc2C)CC1 1359038261 PGJGZKJDLLATPR-UHFFFAOYSA-N 438.605 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCC[C@@H]2C)CC1 1359047556 LAICKQITXNFICP-PZJWPPBQSA-N 442.608 2.360 30 10 IEEE C#CCSCCn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1C(C)(C)C 1359061980 SBAZJNTUAJLQCL-UHFFFAOYSA-N 427.640 2.240 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCOC(C)(C)C 1359091431 NHEUCLWXBWBTMR-ULQDDVLXSA-N 443.614 2.121 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1359097574 QJIDXFVEAABZDS-YLJYHZDGSA-N 427.553 2.012 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CC=CCC1 1359295678 KMJMLLFHHFHIAZ-KRWDZBQOSA-N 433.520 2.016 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1359440498 AIZKDUHICQSRLL-UHFFFAOYSA-N 448.531 2.494 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 1441398607 UDTFBUCMVANENQ-LJQANCHMSA-N 447.507 2.182 30 10 IEEE C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@@H]1CN(C)CCN1C 1444410108 LIJDAPVEAIEKSY-NDXORKPFSA-N 441.576 2.143 30 10 IEEE N#Cc1cc(Br)cc(Br)c1OCc1nnc2c(=O)[nH]ccn12 1459283362 QOXDAJUCDUHMNK-UHFFFAOYSA-N 425.040 2.393 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)C(=O)OC 1468874790 DAKBSTHQOBKCDQ-CJNGLKHVSA-N 426.922 2.055 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)C(=O)NCCc3ccccc3)ccc2c1=O 1472576717 ZWUGRDZSQKVOCY-OAHLLOKOSA-N 436.537 2.348 30 10 IEEE CNC(=O)[C@H](CNC(=O)NCC1(C#N)CCOCC1)Cc1ccc(C(F)(F)F)cc1 1478917384 WHVHVKQTBBPNSJ-HNNXBMFYSA-N 426.439 2.230 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(C#N)o1 1496707579 MKQDRYFWGYABIM-UHFFFAOYSA-N 429.525 2.060 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1496840843 RHIDBVMXIJSFAI-QVKFZJNVSA-N 428.516 2.098 30 10 IEEE CCO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1502611012 DOFUYXXIAGPLFW-WAOWUJCRSA-N 447.536 2.400 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1503366628 CSWBLYNJGQUMTD-GOSISDBHSA-N 426.521 2.070 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1OC 1503806568 FBTLBNYZPLUHHY-MJGOQNOKSA-N 426.521 2.116 30 10 IEEE COC[C@H](F)Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504607269 JQXPXZFEKFUAJN-SJLPKXTDSA-N 442.543 2.372 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1504890298 XIFIUAYIZYLGCL-LJQANCHMSA-N 435.532 2.375 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1507577003 YIINSBAKQPNKJO-ICSRJNTNSA-N 444.605 2.407 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1507631405 PBEWWEPTRLXPBO-OAHLLOKOSA-N 434.949 2.493 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(C)C 1507648084 JRLFGPSBDWNMNA-UHFFFAOYSA-N 432.528 2.328 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1507650729 RPWCNTDHGGLYNO-RBBKRZOGSA-N 447.539 2.411 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC(F)(F)CO2)CC1 1507719692 DWFBCYIXLHNPNP-QGZVFWFLSA-N 432.431 2.033 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1507756537 ZTYXQPKDGNLWGH-AVRDEDQJSA-N 425.558 2.348 30 10 IEEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1509888778 BFHPUFKCYXSOIR-UHFFFAOYSA-N 428.562 2.253 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@](C)(O)C(C)C)cs1 1511547948 OYURUWOMCSODFU-RXVVDRJESA-N 429.594 2.217 30 10 IEEE CCN(c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1515427637 QBBDVLCUBGEYPI-YGCDDZCOSA-N 428.537 2.467 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CCOC2)C1 1515455977 VNBUPGAQAZABDK-AEFFLSMTSA-N 432.546 2.166 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCCCCS(C)(=O)=O 1517105880 NBCOJGWNJJOKMO-UHFFFAOYSA-N 441.561 2.402 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 1527039818 DKHJDZKHKYXIOJ-UHFFFAOYSA-N 435.484 2.367 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CC2=O)cc1 1527636894 GRVSPRDSYJBTGN-LJQANCHMSA-N 431.496 2.218 30 10 IEEE CN1CCC(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)(N2CCOCC2)CC1 1528945523 GADROLUXBZOFLN-UHFFFAOYSA-N 435.528 2.272 30 10 IEEE CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1530551669 GDFPBFPJDBSBBC-HXUWFJFHSA-N 449.573 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1 1538966441 ZPCDTDFKSRSRCL-VFNWGFHPSA-N 431.924 2.125 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCN(C(C)C)CC1 1539319552 ASBSWDYRDXTXDJ-UHFFFAOYSA-N 449.555 2.372 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN(C)C(C)C)CC1 1539434642 RHAPQMDKGPVFRS-UHFFFAOYSA-N 448.413 2.142 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539477442 MTPQEBCODJLGNY-MZNJEOGPSA-N 438.576 2.411 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539513041 KWPDZYQDKHZKJI-UHFFFAOYSA-N 449.584 2.076 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 1539612129 JFAJMYLVECUMER-MOPGFXCFSA-N 430.597 2.416 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539924664 WWGSKMRKQKADLY-GOSISDBHSA-N 449.563 2.398 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCS(C)(=O)=O 1540120122 CJWKGMKJVUFWPF-UHFFFAOYSA-N 437.529 2.234 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540857895 VBCPJCVBUISWSY-JOCHJYFZSA-N 430.553 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1540865899 VWICGFGTPABVMJ-GOSISDBHSA-N 433.560 2.430 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540872408 OYEIGPOJCLMMPU-MSOLQXFVSA-N 426.565 2.099 30 10 IEEE COC(=O)[C@H](CCC(=O)NCc1ccc(C#N)c(OC)c1)NC(=O)OCc1ccccc1 1544053061 IYEUNKQJGBPLEZ-IBGZPJMESA-N 439.468 2.431 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1545091240 CIVJGNOUBOUJFR-RCCFBDPRSA-N 440.552 2.163 30 10 IEEE CCCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1547069669 UAFBSJQDKVKVNL-JOCHJYFZSA-N 441.511 2.465 30 10 IEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@H](C#N)CO)ccc1Cl 1569055774 XQXXEGWFRFHOLS-OAHLLOKOSA-N 437.880 2.475 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(-n2cc(Br)cn2)nn1 1583812183 STEKPCXFPZGQMB-INIZCTEOSA-N 427.262 2.102 30 10 IEEE Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1C#N 1584104178 FWAMYLAYPFPWQV-GOSISDBHSA-N 439.493 2.120 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588034768 LSIRPEAFWALJFU-APWZRJJASA-N 446.573 2.109 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN(CC)CC 1588074282 LVQYCWCRFFYOKQ-UHFFFAOYSA-N 432.572 2.477 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1588099794 ZDNIDUPKQGFMJR-NTKDMRAZSA-N 436.512 2.373 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COCCC 1588138991 KDEOZSVEYVUMFQ-OAQYLSRUSA-N 440.569 2.228 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1589296198 PPCYOLBRGHALTF-SOUVJXGZSA-N 442.358 2.158 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589560300 YPPDLNDDNMDUHS-OOSNJVJTSA-N 446.573 2.272 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1593884153 CZRYPXGDHGDBKC-BMFZPTHFSA-N 431.990 2.378 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)S(=O)(=O)CC)CC1 1594114493 BHAZJNLYAHZPQP-UHFFFAOYSA-N 438.623 2.462 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1594624828 BUQYMFFYXZKFKV-YADHBBJMSA-N 446.640 2.370 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595595022 QEKDFFZOTZBUED-JOCHJYFZSA-N 442.589 2.143 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@@H]2C)C1 1595753274 GGKCHFBIQYSZMW-OALUTQOASA-N 445.539 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC2CC2)CC1 1595805005 KGDZKPJEGPLVDE-UHFFFAOYSA-N 443.617 2.310 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1598149249 USMKLVZFEUKURQ-SFHVURJKSA-N 449.554 2.308 30 10 IEEE CC(C)COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1607728590 NSESSFQPSJBGKC-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE COCCCN1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1611400601 DZMAISOHTQWPBA-UHFFFAOYSA-N 435.366 2.374 30 10 IEEE COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCO[C@](C)(C#N)C3)c2)cc1 1611485958 VEXUAGHVVOFPOO-OAQYLSRUSA-N 429.498 2.275 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)c1 1612247672 AYQDTURIBNJPFJ-JJCDCTGGSA-N 431.562 2.442 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1612495770 BYSHRWTVCRIGFG-GHTZIAJQSA-N 445.593 2.095 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1614410752 BFLYKOKFXVKCBZ-XXBNENTESA-N 438.532 2.260 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1617629689 WDYZZFSWOXDHEP-IEBWSBKVSA-N 439.520 2.043 30 10 IEEE CNC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC#N 1618815249 GYVRQBIBRDYJDW-ZDUSSCGKSA-N 435.326 2.494 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1619768684 KSCGZSZWFKRWTE-HSZRJFAPSA-N 434.500 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 1624771879 PVZPVMHBXZODJG-QGZVFWFLSA-N 438.488 2.494 30 10 IEEE C=CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1626384253 AIJWPIVWWVKMLU-CYBMUJFWSA-N 432.445 2.324 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)C1 1634107912 HXRLRDNTLYTOAT-YRAONVGVSA-N 426.517 2.355 30 10 IEEE CC1(C)OB(C2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)OC1(C)C 1637062563 ZTZZPEPCXMYJRE-QGZVFWFLSA-N 444.341 2.262 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccc(F)cc1C)C(=O)NC 1638951446 DDEVVNDAEAPJRV-MJGOQNOKSA-N 433.524 2.462 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)C2=O)cc1 1639973542 DIFZTYOOXCALJU-NRFANRHFSA-N 444.451 2.242 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 1641826578 IFNBTOQOHQJRGL-NRFANRHFSA-N 434.464 2.329 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C3(CCN(C)CC3)C2)c1 1642561885 ITXKEVAXQODPCU-UHFFFAOYSA-N 437.565 2.218 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1643793985 NLCZWAYYIMGYGI-OAHLLOKOSA-N 429.525 2.270 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)OC)cc1 1647973359 PWCMMYBPXAJLGS-OAQYLSRUSA-N 448.928 2.156 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652071386 WLERAYQUOLIPJE-FQEVSTJZSA-N 442.560 2.311 30 10 IEEE CC(C)OC(=O)C1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1652140549 GNCIOLRRIJVUJR-UHFFFAOYSA-N 449.573 2.476 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H](CO)[C@H]2CCCOC2)cc1 1654728774 CWUXMVUQDICPLO-UWJYYQICSA-N 426.517 2.290 30 10 IEEE N#CC[C@@H]1CCCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1659394075 FSSSURMSNNYGNS-SFHVURJKSA-N 430.574 2.376 30 10 IEEE C#Cc1cccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 1667767795 MTXWQOGBYMFZDI-UHFFFAOYSA-N 429.498 2.019 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c1 1684997492 CKUGOWJYOOHXQZ-XGSMCBPESA-N 444.557 2.274 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCN(C)C1 1690096560 VOJUKEBRAAMGJV-SBUREZEXSA-N 443.617 2.284 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1690697478 WEFHYPOTJARVQD-BBWFWOEESA-N 448.568 2.266 30 10 IEEE CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1692432931 KXORLMIHAZADRQ-QGZVFWFLSA-N 433.516 2.470 30 10 IEEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1692797314 FBTQXVQPZYSSIY-WBVHZDCISA-N 430.459 2.489 30 10 IEEE CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)O)c2ccccc2c1=O 1695403659 HFIATJQDFLBURB-QFIPXVFZSA-N 439.495 2.278 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1697024051 WEEJUCAHXZDPNW-IUODEOHRSA-N 442.467 2.001 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1705504432 WIEVVUPXYODVLD-NUJGCVRESA-N 442.568 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@@H](C)C2)CC1 1705644303 LTCXLFRKEPDJPN-MSOLQXFVSA-N 449.559 2.327 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](OCC)C1 1705900687 MCMWDQFVJQKBCJ-FQEVSTJZSA-N 435.532 2.438 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1705924838 GLCXEZCEVDNNIL-OALUTQOASA-N 443.523 2.441 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1706074208 XGCWFDYRRNOEGL-OAHLLOKOSA-N 441.536 2.393 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccc(F)cc2)n1 1707832974 MDCXDYNPLZBOTO-HXUWFJFHSA-N 439.495 2.477 30 10 IEEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1709383109 GOVCZTIVKLDEOB-KCVJVMPHSA-N 444.561 2.304 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](F)(C#N)C1 1711019784 HNLWZRSTAGPTHY-QGZVFWFLSA-N 444.895 2.071 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722290946 CJWLQNLTENNLGQ-INIZCTEOSA-N 426.521 2.400 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2=O)cc1 1722300458 CCLFPYBYGLEPAX-SFHVURJKSA-N 434.544 2.029 30 10 IEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1722319079 IBWQQQFCVLSAEV-UHFFFAOYSA-N 440.573 2.235 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722329686 MHIHGTMWZJLMEI-QGZVFWFLSA-N 430.530 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1sc(C)nc1C 1722380041 BBQOOHXXPLREFX-UHFFFAOYSA-N 443.536 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccnc1)C(C)C 1722398328 ZUWICRIFRKMGBW-LEWJYISDSA-N 439.585 2.478 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC1(O)CCOCC1 1722421450 MVBLYPYJNLPKQE-LJQANCHMSA-N 428.508 2.493 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1722436699 DDNNBZSIMMRZOH-HSZRJFAPSA-N 436.604 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccnc(OC(F)F)c2)CC1 1722448723 YDYZXXSPBNMCNO-UHFFFAOYSA-N 430.459 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1722505016 QOUCUJNADXRTRN-IPJJNNNSSA-N 441.580 2.213 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722657406 AIVBRVOJPISPBU-UGKGYDQZSA-N 446.573 2.262 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)OC 1727281841 QPBLQILKZHURDL-AVRDEDQJSA-N 427.505 2.149 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1730711475 JHJJQTOQWXAJSK-LJQANCHMSA-N 438.532 2.117 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1730887511 GHHKGHMGBGPLCT-QFIPXVFZSA-N 436.520 2.277 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@@H](C)CC 1740602819 WKZCUSSAIHMTAZ-HRAATJIYSA-N 433.578 2.062 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCOc3ccccc32)CC1 1740690916 QCNHAMLEJQIKFQ-VQTJNVASSA-N 439.560 2.324 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)OC)CC1 1740708226 HSCUXORALAJVKP-UHFFFAOYSA-N 439.560 2.290 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccs2)CC1 1740818619 PHMKLZXESWXKAF-KDOFPFPSSA-N 425.580 2.014 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCN(C)C1 1740924629 XVPPBCJIAOFSSW-JLMWRMLUSA-N 447.605 2.323 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740957767 AHIUUBDADZMSNM-OALUTQOASA-N 427.553 2.477 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(CC)C1 1740960483 SNWJAOQMIFOPIH-QHCPKHFHSA-N 438.580 2.381 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1741702625 CILAQNSKKUYPKY-INIZCTEOSA-N 426.521 2.257 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1741806072 KPTXATGKCJGFGH-PXHXRNRRSA-N 448.568 2.327 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(=O)NCCC)c1 1748692348 WGTXXKJNAZOPEY-UHFFFAOYSA-N 434.500 2.429 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748802077 KTUTUJXVRPWPPC-GOSISDBHSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1c(C)nc2ccccc21 1748875669 STGAQQJVIXGLHI-UGKGYDQZSA-N 432.528 2.433 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OCC(F)(F)F)c1 1748888280 RFFGVYAWRDGITJ-INIZCTEOSA-N 446.433 2.077 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cccnc1OC 1748956515 FRTXEPZPQKFZBM-UHFFFAOYSA-N 435.484 2.254 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCCCOC)c2)CC1 1748990127 UHGZDMJQYZTKTK-OAQYLSRUSA-N 439.560 2.001 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749040306 SZIKVTZAUNPDFE-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1749063697 BVRDAQZKSLRXAN-JOCHJYFZSA-N 436.541 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1749120150 AZGXWSYQQZLRLC-QRFRQXIXSA-N 445.568 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](COCCOC)C1 1749128356 UYGYOSPMMDPGAW-GGPKGHCWSA-N 430.553 2.149 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1ccnn1 1749485379 SJYKLTVKAQDBSJ-UHFFFAOYSA-N 433.520 2.369 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2nccs2)CC1 1749650261 PLDIRYZTNWSKSO-UHFFFAOYSA-N 445.593 2.339 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749751564 YXDKQNBAFQKAFV-LJQANCHMSA-N 441.605 2.002 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCO[C@H]1C(C)C 1750153870 ALAJNXFXMKWYLC-RMMWZPCPSA-N 433.553 2.182 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCSC1 1750474809 LRVIZZCVAAVHME-JOCHJYFZSA-N 441.605 2.328 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)CN(C)C 1750647057 FBAFHXVATWBBBS-KRWDZBQOSA-N 425.585 2.366 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1S(C)(=O)=O 1760107691 QXANGWYZSRXVKC-SJLPKXTDSA-N 438.557 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1 1760123833 LWMHJCKGFBMDNB-MOPGFXCFSA-N 427.549 2.292 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(CN(C)C)c2)CC1 1760262884 FZXHAPCTFKBERH-UHFFFAOYSA-N 449.628 2.499 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760278458 VQPJCWGWYYNSHK-UHFFFAOYSA-N 439.589 2.434 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1760305465 GVAULWNAUWZEQD-OAHLLOKOSA-N 425.331 2.217 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760453219 YPMZYIPXNVKBHH-QHCPKHFHSA-N 426.565 2.158 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1760495786 XHUHYXIEPQAGOX-IBGZPJMESA-N 443.573 2.109 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760519808 QEHPNZOTGQUVTK-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1760527996 OWRAOWYCBUGXEQ-IBGZPJMESA-N 442.539 2.363 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC[C@H](CO)O2)C1 1760537196 KZFQPLDHJRLUCG-GBESFXJTSA-N 444.532 2.284 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C1CC(C(C)(C)C)C1 1761498482 FYVKQSUPNXIUQG-OBHHBEAMSA-N 449.625 2.062 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1766573656 HGIQPLYBOAIBKS-UHFFFAOYSA-N 425.537 2.171 30 10 IEEE CCOCCn1c(Cc2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766593187 BLEAALSMLMVOHI-UHFFFAOYSA-N 434.500 2.449 30 10 IEEE CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1769574613 AIKNJRCFJSSNGT-MAUKXSAKSA-N 429.546 2.256 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC2(F)F)C1 1770726874 AXMNBPVTYNCSLF-GRDNDAEWSA-N 431.484 2.448 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1771348702 YSDYJLJEMFNPTH-UHFFFAOYSA-N 436.497 2.343 30 10 IEEE COc1ccc(SCC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1OC 1851569282 KKKXORUGESJFKY-UHFFFAOYSA-N 442.541 2.428 30 10 IEEE N#Cc1cccnc1N1CCN(CCOCc2nc(-c3ccc4c(c3)OCO4)no2)CC1 1852794155 YUJYLNVSQHULDC-UHFFFAOYSA-N 434.456 2.071 30 10 IEEE C=CCN1CCN(Cc2cccnc2C(=O)N(C)Cc2nc(-c3ccncc3)no2)CC1 1853458825 YCXDMNMSLYFWAW-UHFFFAOYSA-N 433.516 2.102 30 10 IEEE C[C@H]1C(=O)N(C(=O)[C@H]2CCCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855740110 OHPRNELWFHODHD-KBPBESRZSA-N 425.457 2.132 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(F)c1 1856977927 JSBNVOUQAVQIEK-OAHLLOKOSA-N 429.473 2.078 30 10 IEEE C=CCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1858033774 YDPOLUNBLANTGK-UHFFFAOYSA-N 433.530 2.255 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1859479597 WQNWLWXDPZOJNB-UHFFFAOYSA-N 430.380 2.277 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCO)cc1 1862461288 BNCXLPBLWWVFNA-KRWDZBQOSA-N 435.354 2.461 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2[N+](=O)[O-])cc1OC 1862574476 KBIKHUFSKKAQSG-GOSISDBHSA-N 428.397 2.183 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862630471 UTGGOJFAXKBWAL-WYRIXSBYSA-N 427.409 2.089 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 1866581470 CUMRTBHGHKLTLS-UYAOXDASSA-N 425.510 2.049 30 10 IEEE CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867603675 UXUUUMIWHNKILJ-OALUTQOASA-N 428.514 2.256 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)Nc1c(C#N)nnn1-c1ccc2nc[nH]c2c1 1870099181 RZOXNDOQBDIPSR-UHFFFAOYSA-N 429.849 2.478 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)cn1CCCO 1870523531 LCQKBAGNROYKHB-UHFFFAOYSA-N 439.556 2.142 30 10 IEEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870812006 MDLYVOAQOVCIGM-UHFFFAOYSA-N 426.498 2.116 30 10 IEEE CCCCOCCCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872707070 BCGZPERXCBODDS-UHFFFAOYSA-N 447.517 2.446 30 10 IEEE COCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(O)c(O)c1 1874473304 XIXIDPFXQRDYHN-CIAFOILYSA-N 433.534 2.301 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124540636 KAAKIMPCQSRECF-VVLHAWIVSA-N 446.357 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCNc2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2224129571 HLUPBEVTXLAEJL-UHFFFAOYSA-N 432.374 2.345 30 10 IEEE C#CC[C@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(=O)O 2237386349 RIEUAHBKDIXRMH-GJZGRUSLSA-N 439.306 2.478 30 10 IEEE C#CCC[C@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(=O)O 2248456223 OFSGFDFUDWPYDQ-SFHVURJKSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254803998 FHYZSRCXFDGEEB-HUUCEWRRSA-N 437.321 2.302 30 10 IEEE COC(=O)[C@@H](CCNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2255620594 YZJKXPLVBPUAKK-YMAMQOFZSA-N 440.346 2.431 30 10 IEEE C[C@H](CCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255642174 BMXKBGZPWCKSID-CQSZACIVSA-N 434.346 2.199 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN1C(=O)OC(C)(C)C 2255695542 GSDPSZJVWNVHFU-HOCLYGCPSA-N 433.358 2.452 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2255711685 CEFSNMIHVGXBTL-MUJYYYPQSA-N 431.342 2.157 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255816611 IJOYZSACMHZPPG-GOSISDBHSA-N 425.338 2.459 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2255819807 HGVPAYKKSQCOKU-SCAQPMJSSA-N 432.326 2.482 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255827178 VWPYLYMPXFKIPO-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255869401 ATAGYSYGBKIKKE-UHFFFAOYSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N(O)CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2256640789 VJTISTTZZJANCY-UHFFFAOYSA-N 432.326 2.497 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)(C1)C2 2265961625 WYIYEGJCMHLLHK-HZCBDIJESA-N 445.325 2.146 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267098415 ZDFVJNVKLRABBT-CABCVRRESA-N 446.357 2.275 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129325 ZRMLBGZEGTZRGR-HKUYNNGSSA-N 438.381 2.217 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267141368 JNXHWCZKFWZVBZ-IBGZPJMESA-N 439.365 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2267141715 MCMRJZRDRBZKOU-KBMXLJTQSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267523748 GSCXEETUDACWOO-GASCZTMLSA-N 446.357 2.038 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268631968 FFMUYUSHTHQJTF-KSSFIOAISA-N 446.353 2.149 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271386556 KPCHBZDCBWFXDF-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271394747 KPCHBZDCBWFXDF-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@]3(F)CCOC3)cc2Cl)OC1(C)C 2282827643 BJUDPWLIFGXTBH-HNNXBMFYSA-N 425.740 2.108 30 10 IEEE C=C[C@@H]1COCCN1S(=O)(=O)c1c(N)cc(Br)cc1Br 2285365371 QXQOBFREVOBHMC-SECBINFHSA-N 426.130 2.369 30 10 IEEE C#CC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC2(CCCC2)C1 2288225917 PUMAXLWUHFNIIE-QGZVFWFLSA-N 434.514 2.012 30 10 IEEE COCCc1nnc(SCC(=O)OC)n1N=Cc1cc(Br)ccc1O 2331293388 DVXOZAGBLDBGIA-UHFFFAOYSA-N 429.296 2.082 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccc(CC)cc3)o2)c1=O 101350950 MEAJZVFLYYTURE-UHFFFAOYSA-N 441.513 2.298 30 10 IEEE CC(=O)O[C@@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@]2(O)C1 253530157 JLZAERUVCODZQO-CZSLBUACSA-N 446.540 2.469 30 10 IEEE biogenic COc1cccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2Cc2ccc(C)cc2)c1O 254698112 NERMWLYHIHPVEM-UHFFFAOYSA-N 434.456 2.353 30 10 IEEE O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 254819317 HLQVODBTNRTSEF-CRAIPNDOSA-N 446.506 2.096 30 10 IEEE CCOc1cccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 433805277 MERJUDUDDHWDDZ-UHFFFAOYSA-N 442.541 2.216 30 10 IEEE CN1CCC(N2CCC(NC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)CC1 444924495 QNMAICOXNGSATP-UHFFFAOYSA-N 441.967 3.077 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F 478134864 NAGPXWGFUQIKTO-UHFFFAOYSA-N 439.534 2.145 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C#N)cs2)c1=O 481970393 IIEGXQFTJXYWKW-UHFFFAOYSA-N 446.557 2.266 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C3CCCCC3)C2)CC1 482974508 ATNCYDAHNHHABO-IBGZPJMESA-N 430.574 2.046 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1 488389525 MFRGVIKJKVJVMY-UHFFFAOYSA-N 446.536 2.410 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)Nc3cc[nH]n3)c3ccccc3)cc2C1=O 498555385 PLSFFFWAWAXQJL-IBGZPJMESA-N 429.436 2.302 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2c(-c3cccc(Br)c3)noc2C)CC1 501232535 AELMHZVDYJTLNL-UHFFFAOYSA-N 447.333 2.473 30 10 IEEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546216770 HSMIYUZTJRXYEQ-INIZCTEOSA-N 442.545 2.384 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 549247813 CZJGEPFYXZOMQC-UHFFFAOYSA-N 449.519 2.017 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@](C)(O)CO)nnc1-c1ccc(Cl)cc1Cl 549429141 AVZMFCVZRAKBSZ-QGZVFWFLSA-N 431.345 2.390 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](Cc3cccnc3)NC(=O)c3ccccc3)C2)nc1 552902631 OMOMQDAFTIWMKQ-FGZHOGPDSA-N 441.491 2.369 30 10 IEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 561550292 XEAXUBIVKVWXIA-GDBMZVCRSA-N 431.901 2.409 30 10 IEEE C=C(C)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(F)(F)Oc1ccccc1 578888468 ZJDNQYXTQPHHOZ-UHFFFAOYSA-N 427.477 2.064 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(C(=O)O)cc2)sc2c1CCC2 586339621 OQKJQLXBCGKVRX-LJAQVGFWSA-N 431.495 2.133 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CC1 605406019 GZUYBKNBOOYDEY-UHFFFAOYSA-N 427.427 2.116 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC[C@H]3C)CC2)o1 610451671 FBLBCMGBPJNSGG-LJQANCHMSA-N 436.560 2.100 30 10 IEEE C=C(C)[C@@H](CO)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 677131667 QUBHPLFBNWSVHH-LJQANCHMSA-N 445.566 2.316 30 10 IEEE C=CCOCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 682880670 GXHMLZASGSOQKM-OAHLLOKOSA-N 446.367 2.104 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccc(C)o2)cn1 730144525 OTGJUPMZYUINIB-GOSISDBHSA-N 446.577 2.047 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C[C@H]4CCCCN4C)CC3)ccc2c1=O 730559971 PJXPITJBXRQBEP-GOSISDBHSA-N 441.601 2.113 30 10 IEEE C[C@@H](OC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 731729995 HVLZKYPOBYOWEK-GFCCVEGCSA-N 441.575 2.477 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732647463 FSOOVFZWCPXZIO-SFHVURJKSA-N 430.936 2.400 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)cc1C#N 747498165 MMSYNEDUAKESPG-UHFFFAOYSA-N 427.848 2.005 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(CS(C)(=O)=O)c3)ccc2c1=O 749271263 APNXDENWNNWWNY-UHFFFAOYSA-N 443.550 2.346 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1)c1ccc(C#N)cc1 752582219 OCEXPRDXXWACHB-HRAATJIYSA-N 438.436 2.386 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)CC1 759013135 MKRIHQPNYXRAFE-UHFFFAOYSA-N 438.553 2.206 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(OCC)n1 760807922 WUYHEYBMVKNYPA-GOSISDBHSA-N 444.557 2.437 30 10 IEEE Cc1cc(CN2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)ccc1C#N 774847349 XJZKXBSBULLPPF-UHFFFAOYSA-N 447.582 2.085 30 10 IEEE N#CC1(c2ccc(C(=O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)cc2)CC1 777329997 UTAWHKDJGPQNPZ-UHFFFAOYSA-N 431.857 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1 796198513 DBAQETVQUSQKRC-MRXNPFEDSA-N 438.525 2.013 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCOC[C@H]2CC(F)F)c1 806217584 JVKUBHATLAYYBH-PFKVCDDJSA-N 430.477 2.387 30 10 IEEE O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(CCCCF)C1=O)Nc1cnccn1 812223068 YRRDJQDWJJWDPD-WLTRUERESA-N 430.509 2.493 30 10 IEEE C#CCN(c1nnc(CCCc2cccs2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812385190 SCQCEAZGPAXQPZ-QZTJIDSGSA-N 448.614 2.178 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)C1 1116538916 FOHMLQBDCVZVMI-DLBZAZTESA-N 444.557 2.394 30 10 IEEE Cc1ccc(CN2CCO[C@@H](CNC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)cc1 1132601066 NCEAPQDYTQROPJ-NRFANRHFSA-N 437.544 2.397 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCc3ccnc(C#N)c3)ccc2Cl)C[C@@H](C)O1 1139854526 ADKHNCMTHJZXOS-OKILXGFUSA-N 448.932 2.335 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCCCNC(=O)c1cccc(O)c1 1150535549 CYOKIEXUIALDEI-UHFFFAOYSA-N 432.274 2.341 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC 1152035764 NKIQHTXAURAQFD-JYJNAYRXSA-N 426.510 2.189 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2cccc3ccccc23)c1 1155491276 QBNQXSUOPDFQED-NRFANRHFSA-N 436.489 2.395 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(-n3c(O)nnc3O)cc2)CC1 1157138187 ZWLUONRNXRTWQG-UHFFFAOYSA-N 427.461 2.268 30 10 IEEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccc2C)cc1 1159641448 MHXGXPAUIWOJCL-SFHVURJKSA-N 447.513 2.305 30 10 IEEE C#CCn1ccc(CN(CCOC)C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)n1 1169917235 FFSRTKDGJPTBOJ-OFNKIYASSA-N 432.565 2.381 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 1179605607 VLASGIIDYARRLM-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)c(C)c3C#N)CC2)cc1 1277347744 WPHXWMLKDQADSQ-UHFFFAOYSA-N 431.518 2.038 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(C(N)=O)CCCC2)c1 1286309363 KRVOXHKZQLJRDP-UHFFFAOYSA-N 445.527 2.375 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1286390535 APWBUAAAASTIBF-WMZOPIPTSA-N 434.587 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286407767 QTKZIYNZLMZHOX-UHFFFAOYSA-N 430.556 2.357 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1NC(=O)CC1(C)C 1286468742 HZJRPNZKHGZFMB-FQEVSTJZSA-N 434.544 2.282 30 10 IEEE C=CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1286691255 DAQXXHATXLNLSA-WMZHIEFXSA-N 447.580 2.114 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286782896 HGOXWCXMGMAYBN-ZBFHGGJFSA-N 447.879 2.023 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCC2(CC1)OCCO2 1286789115 ASVYUXZQXKDURR-UHFFFAOYSA-N 446.577 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(OC(C)C)CC1 1286820098 DVFSYSVWVVVBRD-QGZVFWFLSA-N 426.583 2.167 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1288974415 DYTARZSWLHENIC-MGPUTAFESA-N 444.517 2.418 30 10 IEEE C=CC[C@@]1(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)CCCN1C(=O)OC(C)(C)C 1298752854 YGPIVWIGNXBAJS-QFIPXVFZSA-N 431.537 2.476 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1300382309 PUCLSTCTLWVSIB-IBGZPJMESA-N 449.559 2.486 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cccnc2OC)CC1 1300705980 GARLFZHWTJTXPR-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1300806478 WNRSNIAUKWYMGJ-PGRDOPGGSA-N 427.574 2.287 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301060309 DSNMHKKEXHWZGH-FXAWDEMLSA-N 436.944 2.383 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)cc1 1301519934 ZQBPXSSNFAJJNP-UHFFFAOYSA-N 433.516 2.311 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nccnc2C)C1 1301544472 XPWHXZFUOUUSMZ-XMSQKQJNSA-N 428.537 2.053 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301588443 ZLWGIFQRAMQFEF-UHFFFAOYSA-N 445.589 2.040 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301652544 NBOMYENBNNPHSF-LJQANCHMSA-N 426.521 2.118 30 10 IEEE CC(=O)NCCCn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1301937372 NNVYDCKVNYPETG-UHFFFAOYSA-N 427.528 2.439 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1302270014 DLPZQXOJMMEJPL-YHELAOLJSA-N 446.596 2.241 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1303958517 DXTOIFHOBPVYIB-DOTOQJQBSA-N 435.546 2.021 30 10 IEEE C[C@@H]1CCC[C@H](N(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1304987725 GSOQAXCBILJOIS-RSBAVMITSA-N 428.537 2.323 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)[C@@H]1C 1305256043 MIQAYYNBMJODMD-CPUCHLNUSA-N 439.545 2.135 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccco1 1305760367 WMAIOYTZFDXOMF-UHFFFAOYSA-N 435.488 2.373 30 10 IEEE C=CCn1cc(C(=O)N[C@H](C(=O)OCC)c2c(C)nn(-c3ccc(F)cc3)c2C)nn1 1352324372 ROMWFNREUNJZKP-IBGZPJMESA-N 426.452 2.440 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC(F)F)c1 1358870930 WVVPKWBTVSOZKH-CYBMUJFWSA-N 427.415 2.428 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 1358956443 FZTAEPQDZJDAKM-NSHGMRRFSA-N 447.630 2.358 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358974363 AVMUMJABNPQBGQ-RTWAWAEBSA-N 437.569 2.222 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1358999354 OGXUGSQMTZXXQQ-HDICACEKSA-N 439.564 2.273 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)[C@@H](C)CCC 1359065104 IPXHMNCVVLQZPM-CDNPAEQRSA-N 431.581 2.475 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1359127426 QBNIMELMQIYTKN-CVEARBPZSA-N 431.628 2.059 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359198208 LAFKJISNMGFNCX-ABSDTBQOSA-N 441.598 2.019 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359205633 DSHHPWASVQIDHL-UHFFFAOYSA-N 442.568 2.161 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1359291061 CVPAZQSDNLHKLP-HNNXBMFYSA-N 435.488 2.131 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 1464577965 JWQWIUIJUKXBHT-KRWDZBQOSA-N 445.516 2.413 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)CC1 1472835727 IXWIFPGIXLDJQT-UHFFFAOYSA-N 434.928 2.401 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1C 1492392092 HUDHUACKLHSSPP-LEWJYISDSA-N 441.532 2.398 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1494572131 XOOLNQNIYFYQPF-LPHOPBHVSA-N 446.502 2.398 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1503551813 GHJXVRAXTJYTMQ-MSOLQXFVSA-N 429.546 2.114 30 10 IEEE CNS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1C1(c2ccccc2)CCC1 1503836929 NNFGBYPAUZAFLU-UHFFFAOYSA-N 442.589 2.427 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1504309924 WVAKVAPYCMHSQT-HNNXBMFYSA-N 436.472 2.080 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C(C)C)N1CCOCC1 1507538173 QPBMDZRDSVQFRY-TZIWHRDSSA-N 435.576 2.331 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)c1cc(C)oc1C 1507659230 OIKFQDONNIBUIO-LEDOBFOHSA-N 426.517 2.192 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCOC1 1507700548 SETWIWQZLDDFKR-WMZOPIPTSA-N 449.552 2.094 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)C2=O)cc1 1519457773 NJVWQZHTGKDFBQ-LPHOPBHVSA-N 431.452 2.005 30 10 IEEE COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1C#N 1535536064 BQTBLNUQKYZKLA-MRXNPFEDSA-N 441.465 2.143 30 10 IEEE CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1snc(C)c1C#N 1538319087 NHHQZRALETZLSM-UHFFFAOYSA-N 434.543 2.401 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539216417 RMAQGNFFYFLETA-RDJZCZTQSA-N 435.500 2.402 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1539256611 BUQXXSZDIGRKFF-HSZRJFAPSA-N 442.567 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)[C@H](C)CCC 1539314936 AEPZQJFVBQVWJA-QGZVFWFLSA-N 438.532 2.021 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1539420119 BRUROORAYSXGBL-UHFFFAOYSA-N 427.524 2.341 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1539751806 VADCFJSWALGCAE-FDFHNCONSA-N 446.640 2.370 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1540876341 OGOYFOMYMRQXRA-SJORKVTESA-N 448.568 2.125 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1540890346 DAKJTYXFULIYIZ-GOSISDBHSA-N 432.546 2.419 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1541800774 HFZGXFSXAGCNBW-MRXNPFEDSA-N 441.561 2.321 30 10 IEEE C=CC1(CC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1542123569 KXDJUOVCMOWZKJ-INIZCTEOSA-N 429.583 2.120 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1548005825 UBJZTDNFSDZZMG-HZPDHXFCSA-N 449.458 2.409 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)CC2=O)cc1 1556063504 DGUQNZPRRIEPSV-ICSRJNTNSA-N 446.507 2.394 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1557434992 BEZWPVWMGWQLEC-UHFFFAOYSA-N 429.014 2.362 30 10 IEEE COCCCS(=O)(=O)NCCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1560192818 NJGJRPXQSLXBRI-UWVGGRQHSA-N 448.376 2.045 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 1564924212 HEYCKFUZVRKALO-IBGZPJMESA-N 428.533 2.230 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1568894500 LINFTRCTSHSALI-LAUBAEHRSA-N 430.476 2.020 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C#N)C3CCCC3)c2)CC1 1583396034 VNEDWMSIAXMJGZ-IBGZPJMESA-N 438.981 2.478 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)Nc3ccc(C#N)cc3I)CCC2=O)cn1 1584666731 BTZZUYPFZBZWPW-LBPRGKRZSA-N 449.252 2.278 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1587758863 INPJPCQGYSZSHQ-IBGZPJMESA-N 438.532 2.333 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588044667 AKEUTGXFUPQOCD-LJQANCHMSA-N 443.573 2.316 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1589047972 PBBQMDQSQSSADV-UHFFFAOYSA-N 439.545 2.335 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1589150892 NJAKNWUMXZWMCO-LAUBAEHRSA-N 442.589 2.397 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1589544020 DWYVNQOUQPSDFI-FHWLQOOXSA-N 433.578 2.291 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1593746840 OINBBLJNQQBMHQ-MOPGFXCFSA-N 448.593 2.119 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1594858343 YYNDJESHRMWXMP-FZKQIMNGSA-N 427.958 2.072 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(CC)C1 1595529981 OQSRWDFADWVYGS-NRFANRHFSA-N 445.593 2.167 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1595614433 TYUZKYRFUKZQEW-MJGOQNOKSA-N 432.546 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1595707714 ZLOLOFDYEDUKFA-PMACEKPBSA-N 428.581 2.422 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1596823487 UUFOXERANNWNBB-AEFFLSMTSA-N 428.512 2.402 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1CCOCC1 1602821543 CFTOISTZBPSWOX-UHFFFAOYSA-N 438.580 2.106 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F 1608191279 FFHRYESENRRMNX-FUYCXPICSA-N 431.798 2.123 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCCCO)CC2)nc1 1620350155 ANFLZDYFYIJKJX-HXUWFJFHSA-N 439.564 2.318 30 10 IEEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)c(OC)c1 1636904147 IQAHUGPCWVFGKE-UHFFFAOYSA-N 444.513 2.272 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)C2CN(C(=O)C3CCCCC3)C2)c(=O)c1C#N 1638643725 BVGPDNSNDCCRGL-UHFFFAOYSA-N 435.322 2.208 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc1 1639591169 OWGCWWQGHYYLAV-QGZVFWFLSA-N 446.301 2.376 30 10 IEEE C#C[C@@H](CO)NC(=O)[C@@H](C)Oc1c(I)cc(Cl)c2cccnc12 1641574053 DDHHAWYLUKDIBR-ZJUUUORDSA-N 444.656 2.370 30 10 IEEE C#Cc1cccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)c1 1642794670 VTJFUGHCJGLHEW-LJQANCHMSA-N 432.929 2.171 30 10 IEEE C#Cc1cccc(NC(=O)N2CCN(c3ncc(I)cn3)CC2)c1 1657678391 SOCPPWFLOOLMOF-UHFFFAOYSA-N 433.253 2.417 30 10 IEEE C#CCN(C(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1685470012 AKOYKIRQQURGAH-ZNXRZULTSA-N 439.578 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CC=CCC1 1689848156 PSYRBWFWHLSEBQ-GOSISDBHSA-N 431.544 2.395 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689998346 JWBBMFCVPLOGDR-BHYGNILZSA-N 449.602 2.325 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1690043952 UHIIZRVOZWMXQJ-HNNXBMFYSA-N 438.438 2.481 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(CN(C)C)c2)CC1 1690132852 YRNPCYULGOLEML-UHFFFAOYSA-N 446.603 2.005 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690237808 AWVVDEQITQMYER-NFBKMPQASA-N 439.560 2.468 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690239485 XIISRCSYWFTFRR-NZQKXSOJSA-N 444.624 2.481 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1690508051 AJRFKIVEVZGZHC-UHFFFAOYSA-N 439.568 2.224 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690655211 KUSWBDLPADAIHO-HBMCJLEFSA-N 427.549 2.044 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)cc2)C1 1690710393 RVADZBULTSMSNQ-HXUWFJFHSA-N 438.532 2.189 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1692542115 DERBSXSFEPVBMO-HNNXBMFYSA-N 438.410 2.092 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1692542127 DERBSXSFEPVBMO-OAHLLOKOSA-N 438.410 2.092 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1695025546 QHWCALOWCATECB-INIZCTEOSA-N 441.536 2.062 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCO[C@@H](C)C1 1698238901 OIBBJYTURWUSQC-JBACZVJFSA-N 446.596 2.243 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)CCO1 1698494186 SSLHKHMSCSBOLS-YPMHNXCESA-N 426.424 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1705478232 YHIZGXRDKXILEJ-NJAFHUGGSA-N 438.532 2.481 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)C(C)(C)C 1705540997 VXODQUCYJXPZEU-UHFFFAOYSA-N 431.562 2.430 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(=O)NC 1705708314 ASHBSPIYYVTZJJ-PGRDOPGGSA-N 438.532 2.282 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705735926 YMAZRSLRHJWWLG-NJDAHSKKSA-N 433.597 2.312 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCCOC)CC1 1705756878 QXYADPSDIUFDSZ-UHFFFAOYSA-N 432.956 2.386 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C)C1 1705935467 SEIGMTOGGIKPPC-CALCHBBNSA-N 434.562 2.092 30 10 IEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1706637521 XKKIDFXYEXFJMO-IAGOWNOFSA-N 426.521 2.257 30 10 IEEE CCc1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709138013 OSRQWCMNTHPHCW-GHVJWSGMSA-N 449.559 2.310 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2ccco2)CCO1 1712883873 BHVUEVULMSWYIH-AWEZNQCLSA-N 426.864 2.350 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722503899 DUWOMFPWKJTBLL-QRQLOZEOSA-N 437.610 2.245 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722741804 XMHPTLHPLJCKFY-JOCHJYFZSA-N 428.606 2.484 30 10 IEEE CC(C)N(CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1723540395 RKBJELMZRCHJFW-FPOVZHCZSA-N 429.613 2.467 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1723676316 IDAGWJIKGAHALV-GCJKJVERSA-N 433.553 2.254 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1723772199 KDFKSLRWEGETGJ-LBPRGKRZSA-N 427.431 2.238 30 10 IEEE Cc1csc([C@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)n1 1725040148 NVLMIDRAFJACPR-HEWTWTGNSA-N 427.534 2.262 30 10 IEEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1728134941 BJNJJCSBQVUORH-UHFFFAOYSA-N 449.563 2.216 30 10 IEEE CCNC(=O)C1(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1728657675 DRYLRCVCJDKVBH-FGZHOGPDSA-N 448.543 2.067 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCC(F)F 1729067133 PRWDLXRTFKENGK-UHFFFAOYSA-N 438.454 2.434 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1729749834 FYILIWSAOSKJGY-SFHVURJKSA-N 438.488 2.048 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1730995879 SWHWNXAGYWFHQL-IBGZPJMESA-N 431.562 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740634949 QWWFAHIUIBBRKL-WOJBJXKFSA-N 449.555 2.288 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC(F)(F)C1(OC)CCOCC1 1740642788 VRUCVIBDCQVOMR-UHFFFAOYSA-N 429.471 2.168 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCOC1 1740650421 ZOZLOTJEIIVZQC-GOSISDBHSA-N 435.347 2.383 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC1(N2CCOCC2)CC1 1740659491 ZSXOTVXZVRVFCC-UHFFFAOYSA-N 433.556 2.227 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1740761856 PMENTUSXNLUMFC-MANSERQUSA-N 438.594 2.024 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)c1ccccc1 1740796787 FLPIVNNSWQEQQH-DYESRHJHSA-N 431.562 2.219 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N(C)C 1748648159 ZHWRFHWKXQYWJL-MRXNPFEDSA-N 426.546 2.151 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1748816965 BOEGBGOKVWAQRK-HOTGVXAUSA-N 449.602 2.037 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(F)cc2)CC1 1748977992 HEUUBXXTUBSDSC-HSZRJFAPSA-N 427.524 2.067 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(S(=O)(=O)CC)CC1 1749139557 GSVWPMCDCCMOET-LPHOPBHVSA-N 426.583 2.199 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1749144289 WMUJZBAFFMMEOI-QGZVFWFLSA-N 426.631 2.413 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1749248274 YSSMJOQITWCYSP-ZCNNSNEGSA-N 446.573 2.339 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749281932 PLVBVSGUEBLYQV-VDGAXYAQSA-N 426.945 2.455 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2C)CC1 1749412133 KFCNKGOWSNXIQH-LJQANCHMSA-N 446.621 2.485 30 10 IEEE C[C@H]1CCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1752194639 CBPQZYHLSRRYCI-YWZLYKJASA-N 431.541 2.196 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760121976 FXMYLNGNCVWRPZ-BFQBXFRASA-N 434.500 2.150 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2([S@](C)=O)CC2)c1 1760126385 XBHJYOFWHOGDSB-YTTGMZPUSA-N 448.552 2.307 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760181766 BGMXUHQIFPWSGP-FQEVSTJZSA-N 443.617 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(N2CCCCC2)c1 1760208902 NENUXDOVYVOUEN-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)c(F)c1 1760248337 IXHPSMRKMHTHPB-OAHLLOKOSA-N 437.422 2.104 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1760250809 QPDCHQQYNJQECH-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1760321951 MCVCLLIGEFJLQZ-HCXYKTFWSA-N 438.594 2.167 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1760511956 SBOHKZWFDFCALA-KRWDZBQOSA-N 438.536 2.253 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCc2sccc2C1 1760526308 KNXXCTPNOCDRCP-UHFFFAOYSA-N 425.562 2.456 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)N2CCOCC2)C1 1760536505 HXQXMDRSJPAZRT-RTWAWAEBSA-N 439.560 2.460 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1760805119 DZJIHTJSFKLVIV-INCQDFKNSA-N 435.525 2.272 30 10 IEEE Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1761761995 XIJOYWONUAECBI-MEUCICPISA-N 440.504 2.377 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 1762301324 CPKUHORRESHGBO-CVDCTZTESA-N 440.548 2.223 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1762659132 VBEPRGSEKHKXMH-QGZVFWFLSA-N 435.488 2.249 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H]1C 1765400881 VFWVPFDAUVFRTG-UEXGIBASSA-N 440.548 2.063 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C#N)o2)CC1 1767213959 FPNCYHIKPKRUHR-UHFFFAOYSA-N 447.543 2.279 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1767234908 SPCAKXPHZRTTIL-ZBBYCGENSA-N 430.553 2.256 30 10 IEEE CN(CCN(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 1767347857 RHOSCIYCCCOAQU-LSDHQDQOSA-N 435.532 2.255 30 10 IEEE Cn1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(C#N)CC2)n1 1767534085 FIBZYUPEFNODBS-UHFFFAOYSA-N 435.536 2.466 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccccc3C)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1769878943 DOLMRMUYRGIHDU-JTSKRJEESA-N 426.496 2.190 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1770504296 BPUUXWIJEUKURT-VGSWGCGISA-N 442.495 2.222 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCCO3)n1CCSCCCO)C2 1770736245 XCKDMKPNOMYGPI-GOSISDBHSA-N 444.561 2.170 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(-n2cccn2)c1 1771179008 LURWCFNXFTUCIF-QGZVFWFLSA-N 436.520 2.371 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@@H]2CCCN2CCCO)cc1 1771533862 BRNCJIAOJKHRFE-IBGZPJMESA-N 442.589 2.129 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)cc1 1849851303 XTBPDYZFBJCWAQ-NRFANRHFSA-N 442.516 2.199 30 10 IEEE Cc1cn2nc(C(=O)N3CCc4[nH]nc(C#N)c4C3)cc2c(N(C)Cc2ccccc2)n1 1850865885 BFQRJVRPBWAYGY-UHFFFAOYSA-N 426.484 2.467 30 10 IEEE Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)COc4ccccc4C#N)CC3)nn2)cc1 1852023789 WVNYVENUSIHUMB-UHFFFAOYSA-N 444.495 2.247 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2nncn2-c2ccccc2C)CC1 1852056393 WRRZWGGRURFFDW-UHFFFAOYSA-N 446.511 2.179 30 10 IEEE COc1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 1853360297 DPHNVBHOUSYXQJ-IRXDYDNUSA-N 428.489 2.221 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cc(F)c(F)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635944 PZIZBNSBSGOFRS-NSHDSACASA-N 437.399 2.037 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CCN(C)CC1 1857019276 OUWCWRALGRMCGF-SFHVURJKSA-N 431.558 2.173 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cccc(O)c2)cc1F 1862639252 UQNLNUREUBGVLB-IBGZPJMESA-N 428.416 2.254 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@H](CO)C2)=C(N)Oc2c1c(C)nn2C 1865227227 FIYSRHZNSUEKJD-OXJNMPFZSA-N 438.528 2.219 30 10 IEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccccc3)CC2=O)cc1 1870151498 XWNLONVGFHDONS-INIZCTEOSA-N 444.451 2.307 30 10 IEEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870349357 KQXIRXXSDUZJIQ-UHFFFAOYSA-N 448.523 2.050 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2022243030 OYNDVAANCCWGNC-ZNMIVQPWSA-N 441.525 2.425 30 10 IEEE COc1ccc(C=CC(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1OC 2053649186 NEELBILQZMAYCY-YKSBVNFPSA-N 436.508 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)=C[C@@H]1O 2067765131 UUVDNUKPJHCLHD-FPCVCCKLSA-N 434.342 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068906804 CBHURMTWYHOPOV-HNNXBMFYSA-N 440.321 2.096 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(Cc3ccccc3)C3CNC3)s2)OC1(C)C 2243411954 CZQSYIBEYKKYGB-UHFFFAOYSA-N 434.392 2.210 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2247841411 WMUDVZADDAQVBJ-HZPDHXFCSA-N 425.363 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2248432901 BYIMUSUXMTWLFL-DABQJJPHSA-N 435.355 2.494 30 10 IEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254744843 UQPOMOYIUHBLNA-XJKSGUPXSA-N 436.314 2.214 30 10 IEEE CC(C)(C)OC(=O)NOCCNC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2255541674 FZFWISQXGXCSQJ-UHFFFAOYSA-N 442.268 2.450 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)CC2)C1 2255648718 FBFJCRVHSKRZNA-UHFFFAOYSA-N 435.374 2.376 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255700161 YQFGLVHUMYWSCB-IRXDYDNUSA-N 432.326 2.008 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830209 BPEAEMCFYBNDTD-UONOGXRCSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)NCc1csc(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)n1 2255833156 YHJNGDIESSUFRO-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CN(CCCN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2255842679 WBFKAKFTIBOGRK-UHFFFAOYSA-N 434.346 2.105 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2267120390 JVJNWBURGIWEFT-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267126825 DPYWUAASMIDNPM-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2267155713 XQNHUWRYKYUQDO-HUUCEWRRSA-N 448.373 2.155 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267491994 MGJAZOQLJGWLNN-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550666 CITKLLHJZUHMLJ-CVEARBPZSA-N 446.357 2.342 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268606755 MZYNAQPCKRKDJN-GOSISDBHSA-N 448.369 2.484 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)[nH]1 2315394789 WYMZNHXMCDDMSL-INIZCTEOSA-N 435.374 2.141 30 10 IEEE COc1cc(C=Nn2c(S)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc([N+](=O)[O-])c1O 2322123031 CWONPYCHYWQXMY-NSHDSACASA-N 434.478 2.186 30 10 IEEE O=C(O)CCc1nnc(S)n(N=Cc2ccc(OC(=O)c3cccs3)cc2)c1=O 2323028782 WZJVVDRMIBZRRZ-UHFFFAOYSA-N 430.467 2.107 30 10 IEEE CC(C)Oc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329013225 AXXWBTMJWKIOMH-INIZCTEOSA-N 444.561 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263278 XLPGVCIHLKEBTQ-BYNSBNAKSA-N 446.357 2.131 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)n1C 2337191130 VRNQLTGUKJRIPL-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE Cn1nccc1C#C[C@H](NN)c1ccc(I)c(Br)c1 2342014349 XHMIZURDONPBOL-ZDUSSCGKSA-N 431.075 2.343 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c(C)c1 6194164 BRLFIYYZQUXWEU-SADKCHQCSA-N 437.496 2.153 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cccc(S(=O)(=O)NC)c2)cc1 11343227 KBLBDZCHCPETQT-UHFFFAOYSA-N 445.497 2.097 30 10 IEEE C=CCN1C(N)=C(C(=O)OCC)[C@@]2(C(=O)OC(C)=C2C(=O)OC(C)C)c2ccccc21 20609245 KMAGGLIUOIJZPI-HSZRJFAPSA-N 426.469 2.446 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1 103122442 WTNSIKILKBJQKG-HQMFNGAOSA-N 442.424 2.034 30 10 IEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)OC/C=C/c3ccccc3)[nH]2)cn1 253576420 VUUVARQLLDNIDX-OSHDIQQQSA-N 441.517 2.442 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)cc1 439277269 QJSDDWLAFGOFJL-WOJBJXKFSA-N 431.558 2.234 30 10 IEEE COC(=O)[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 463439398 ASGBDWDKFAROOA-AVRDEDQJSA-N 444.532 2.274 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 466812822 MBTUNUDORDIHCL-UHFFFAOYSA-N 442.932 2.299 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2nccn(C)c2=O)CC1 467165170 SVHSCDPLRFQODP-OAHLLOKOSA-N 440.573 2.132 30 10 IEEE CN1CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1C#N 474783983 IOXNYPWCKBVZGY-SNVBAGLBSA-N 434.075 2.333 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481985812 ZCDATSKDGAUKCY-DZGCQCFKSA-N 427.551 2.140 30 10 IEEE Cc1cc([C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCO2)ccc1F 486046349 PRGNDFKLAMSSPF-FOIQADDNSA-N 431.489 2.273 30 10 IEEE Cc1ccc(-n2nnc(CC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C)cc1 489192014 CFNAPVXDGOEJTH-NRFANRHFSA-N 428.496 2.216 30 10 IEEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4cc(C#N)ccn4)CC3)C2=O)cc1Cl 493547642 DKQBLDRLGYNYSD-KRWDZBQOSA-N 425.876 2.069 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)ccc1OC 499396067 RBZRSVJIIUHWET-CQSZACIVSA-N 438.303 2.360 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 508908447 SZMUXADTRPSNQC-HXUWFJFHSA-N 447.499 2.388 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 509219900 VGRWSCNTUFOMAH-AWEZNQCLSA-N 435.468 2.433 30 10 IEEE CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 514682176 LRAVUOHQBWLSQS-INIZCTEOSA-N 427.530 2.340 30 10 IEEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 555243872 NWMOQCGIBPDJSE-UHFFFAOYSA-N 430.597 2.383 30 10 IEEE COc1ccc(Cn2nccc2NC(=O)C(=O)NCC2CCC(C#N)CC2)c(OC)c1 578831228 DEHOCPGJDMFCDC-UHFFFAOYSA-N 425.489 2.333 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(C)[C@H]3c3ccc(Cl)cc3)CC2)o1 582329954 SSSMWPVUCADKHN-RXVVDRJESA-N 442.951 2.192 30 10 IEEE O=C1Nc2ccccc2[C@]12CCN(CC#CCN1CC[C@@]3(C1)C(=O)Nc1ccccc13)C2 671243437 GXRVVSBATFTORL-WMPKNSHKSA-N 426.520 2.181 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 685535142 JCZFEFNHTQFXTD-JOCHJYFZSA-N 449.603 2.095 30 10 IEEE C#CC[C@@H](COC)NS(=O)(=O)c1c(N)cc(Br)cc1Br 716801167 SDYRANARKOECOV-VIFPVBQESA-N 426.130 2.110 30 10 IEEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730137713 HPZSVYLDZNWHSI-INIZCTEOSA-N 426.970 2.376 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 732446171 IENDCYWRZOSMKR-ZBBYCGENSA-N 449.914 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 732707099 UNRPBWNONAYSSE-GOSISDBHSA-N 439.516 2.121 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](C)C(C)C)cn1 739401858 MJQVNJSHVDTRTB-RDJZCZTQSA-N 435.594 2.382 30 10 IEEE C#CCN(C(=O)Cn1c(-c2scnc2C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 742572925 IXDHQDRZPUTTES-HNNXBMFYSA-N 428.539 2.117 30 10 IEEE Cn1cc(C#N)cc1C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751825795 BTYMAKLKNUOHOS-SFHVURJKSA-N 439.497 2.033 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 762909518 NPQUKBPSUSRASI-UHFFFAOYSA-N 438.465 2.333 30 10 IEEE COCCOc1cc2c(cc1C=NNc1nc(O)c3cnn(C(C)(C)C)c3n1)OCO2 769810589 QWANGXAEANROHL-UHFFFAOYSA-N 428.449 2.487 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)ccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 778290252 SVVHFAIXNUCVSA-CQSZACIVSA-N 445.335 2.129 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 780477374 VUKUOLBJUWCKBR-QFIPXVFZSA-N 438.569 2.259 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCCO2)c1=O 781648724 JVKZHUFDACIJND-HNNXBMFYSA-N 429.567 2.116 30 10 IEEE Cc1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 782850182 VLBIADCFSCKVDA-GOSISDBHSA-N 445.541 2.458 30 10 IEEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(C#N)c(F)c1 791240221 XBACMKGHGWANNS-GTNSWQLSSA-N 426.853 2.122 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C[C@H]2CCCC[C@@H]21 793195166 HLZMFXGULBCSPH-NJAFHUGGSA-N 445.541 2.218 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cnn(CC)c2)C1 797815304 OZUZHQWKYUZDCU-XOKHGSTOSA-N 447.561 2.235 30 10 IEEE COCCOc1cccc(S(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 802895247 MJIAUGNOFHXDTD-FQEVSTJZSA-N 432.498 2.492 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CCc2cccnc2OC)C1=O 809941710 HFXHJPWXEAENLJ-QGZVFWFLSA-N 428.514 2.409 30 10 IEEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(C4CCC4)c3=O)ccc21 814252935 BPGLOXHVRQPRSY-UHFFFAOYSA-N 447.560 2.416 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=S)Nc3ccccc3C#N)CC2)c1 915996106 GQDKLKIJXBEGOB-UHFFFAOYSA-N 446.554 2.279 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=S)Nc3ccccc3C#N)CC2)c([N+](=O)[O-])c1 915996248 LXJWEBPPHFUTLP-UHFFFAOYSA-N 445.526 2.389 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)cc2C1=O 921199968 PYAYODXGWBJRTL-XMMPIXPASA-N 446.463 2.057 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(S[C@@H](C)C(=O)N(C)C)n[nH]1 1084328521 QQJJUGFPUILUJC-AWEZNQCLSA-N 441.565 2.380 30 10 IEEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 1084602116 HUBQNDRGLTWNSG-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE CN(C)S(=O)(=O)C[C@H](OC(=O)Cc1ccc(Br)cc1C#N)C(F)(F)F 1129509349 YIDWJPMTOIIUCK-LBPRGKRZSA-N 443.241 2.229 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 1141804291 OZJMPMSHHVWGCB-AEFFLSMTSA-N 449.573 2.221 30 10 IEEE Cn1ccnc1[C@](O)(CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F 1142041249 NHYWTIMUENEFGS-FZKQIMNGSA-N 447.458 2.263 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCc2cnc(N)nc2C1 1166949285 FFZUHBPRHNKEGD-IBGZPJMESA-N 434.500 2.350 30 10 IEEE COc1cnc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1O 1180059837 KFOOQTQPXQRSOY-CJNGLKHVSA-N 441.875 2.432 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 1189039336 AEVCYIPORRAFBH-XJKSGUPXSA-N 438.506 2.211 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2ccc(Br)cc2Br)nn1 1191582883 LTTCINLOQYAOKN-UHFFFAOYSA-N 436.129 2.468 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C[C@H]1O 1197314152 DCINWZQMOQFHEY-LJQANCHMSA-N 430.480 2.099 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1214798237 YUVUXRQIPGHLOK-PTGBLXJZSA-N 448.545 2.308 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1219084204 HNIHQIKYEIJQTL-GFCCVEGCSA-N 432.340 2.417 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1)C1CCOCC1 1231332921 VBGVLWPPEXLVSD-RBUKOAKNSA-N 446.552 2.078 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1286379913 DWVBJUGQPCYASG-IBGZPJMESA-N 447.605 2.111 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1286451562 LFVOWVSEUIFHKL-HNNXBMFYSA-N 447.561 2.054 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Cl)c(OC)c1 1286464892 GUCIRJWDCKROHW-QGZVFWFLSA-N 431.924 2.220 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1286472113 VFDJXYALNCPNOY-HXUWFJFHSA-N 436.560 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cc(C)nn2C)CC1 1286490012 JQBAUOODGVZMJJ-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286606886 FKRLTOPBJCAMQG-UHFFFAOYSA-N 435.532 2.291 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1286672064 GDQBJQAVEMEDPR-ULQDDVLXSA-N 425.599 2.306 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1286797427 VZSRGMFNNFEICT-UHFFFAOYSA-N 433.578 2.314 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)C1 1286798665 MZYRHWOWXIWEKH-KRWDZBQOSA-N 448.568 2.162 30 10 IEEE CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1291971138 PWSFTCSTTXFKKS-UHFFFAOYSA-N 428.836 2.436 30 10 IEEE COc1cc(CNC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc1C#N 1297526259 VIJVOQRLCXMXHV-LJQANCHMSA-N 432.521 2.239 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(S(=O)(=O)NCC)c3)n[nH]2)c1C 1299135739 JJYKEIOQUZBVGL-UHFFFAOYSA-N 442.545 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300570585 SUAYDUMBROFFFU-HSZRJFAPSA-N 440.551 2.418 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](CC)N2CCCC2)CC1 1300688133 BESHYLGXWXVHRD-FQEVSTJZSA-N 437.548 2.483 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1301528403 AIEXFJKXFDJRNC-HNNXBMFYSA-N 437.591 2.055 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCCO1 1301586914 PNVGJQJKDAKMJL-QGZVFWFLSA-N 439.607 2.240 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301935641 VGMDZWDYGYOPOH-IIBYNOLFSA-N 438.532 2.259 30 10 IEEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1302382602 AIUVHTHYDCNKQD-YLJYHZDGSA-N 436.582 2.097 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1303915558 RQBNWHGOSCMRBR-YJBOKZPZSA-N 435.912 2.199 30 10 IEEE Cc1cccc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1304444381 HXFFKODMQWPDIH-JXFKEZNVSA-N 434.541 2.190 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)ncn1 1315062499 NBSFADNGBKZGJM-RCCFBDPRSA-N 439.568 2.411 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1315164691 GPJRBRMWWWACSM-MBSDFSHPSA-N 440.548 2.065 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 1352657443 CWKSPTFWCJESNY-UHFFFAOYSA-N 430.530 2.246 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1358878267 TXEARDWKCTURCB-OAHLLOKOSA-N 428.514 2.089 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCCn1cc(Br)cn1 1358897200 VIFSMSXMGABUJM-HNNXBMFYSA-N 448.369 2.298 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1358963248 FDFXCTXCPKYMRR-FQEVSTJZSA-N 447.649 2.368 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1358964536 ATCXEENHPJTKAQ-IBGZPJMESA-N 447.630 2.280 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCN(C)C 1359009389 OEYAWWJDLKAEGW-UHFFFAOYSA-N 448.612 2.430 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)c1ccc(F)cc1 1359018545 UCOBBEOPQHFUHY-LJQANCHMSA-N 429.496 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1 1359022810 NOLXIJSPXFPTPP-UHFFFAOYSA-N 438.557 2.373 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)c2ccco2)CC1 1359038391 UUCZDPNUUUCRJE-XMMPIXPASA-N 435.528 2.421 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](OCC)C(C)C)CC1 1359038526 ZCNAPMXLXYIEHM-NRFANRHFSA-N 427.597 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@@H]2C)CC1 1359048482 RVVFJYADAAJTAR-VMXMFDLUSA-N 443.592 2.404 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C 1359089707 NKBASQWBIJDONR-HKUYNNGSSA-N 427.553 2.174 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(CC)CC)CC1 1359178740 AKZYGGUJGCYJMV-SFHVURJKSA-N 437.610 2.231 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O 1359926752 AKCLQMAQCFKSAL-GOSISDBHSA-N 433.582 2.412 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCOCC2)c1 1361017872 DRSPCWZFQVXTHP-LJQANCHMSA-N 440.548 2.319 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)nn2)C1 1439738420 HHFYSYBKUCXDMH-MRXNPFEDSA-N 445.520 2.328 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)ccc2c1=O 1454436371 AHIKXCORKLBLOQ-UHFFFAOYSA-N 435.553 2.267 30 10 IEEE COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1463486947 BCNSKEHRVNKBCF-DGCLKSJQSA-N 443.909 2.164 30 10 IEEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc21 1464435738 NLRDHKSNBMUFCP-INIZCTEOSA-N 439.541 2.324 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1466694793 PUWDNXZOWYXSPM-NRFANRHFSA-N 426.477 2.148 30 10 IEEE CC1(C(=O)N2CCO[C@H](Cn3ccnn3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1470303829 POAPVFAYRRYEBJ-SFHVURJKSA-N 428.924 2.337 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3[C@H](C)O[C@@H](C)[C@@H]3C)nnc12 1472609383 IMWDTGVJEOGPIH-NUXNZHGMSA-N 427.530 2.250 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1475319711 ANIAUWZPCIAASO-LBPRGKRZSA-N 437.440 2.083 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCC(C)(C)O)n1 1492517844 HVXSHKNEUAZTFU-QGZVFWFLSA-N 447.547 2.186 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)C1 1499880661 FMSMFTIPGMFPPM-IBGZPJMESA-N 447.547 2.362 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1503746338 IVSYMOGXNMROFR-IRXDYDNUSA-N 430.459 2.203 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1507583373 QKWHJXMEFUYLNV-UHFFFAOYSA-N 437.470 2.240 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 1507623955 ZSPOCPIVVMFEIG-SFHVURJKSA-N 447.630 2.148 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507628872 ISCTTYTZXPVDEB-IRXDYDNUSA-N 433.603 2.196 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507747349 GPTYMRZDPSSHRP-SFHVURJKSA-N 429.571 2.197 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507797213 RRJXNVPHZXFGDQ-MJGOQNOKSA-N 449.577 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 1507797998 FQEHHSVDXVUHOH-PXNSSMCTSA-N 427.553 2.142 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 1507838916 KWKXZDIYMLVLRO-GOSISDBHSA-N 437.342 2.330 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1507935340 PNJSCXIHFUVNJK-SFHVURJKSA-N 439.626 2.084 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nncn1C 1508005271 PMDSWGIFQQSUJJ-JOCHJYFZSA-N 441.511 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2OCC)CC1 1508080852 FAMUGPRCYXIQHZ-UHFFFAOYSA-N 447.543 2.368 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2cc(C)on2)CC1 1508082282 RQHITBMKBAQLJA-UHFFFAOYSA-N 439.495 2.005 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)C1 1508119371 ZMLBMAYGGSJYPQ-WIYYLYMNSA-N 427.549 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508131863 RKRRVCGKPZCKPV-UHFFFAOYSA-N 437.610 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@@]1(OCC)CCOC1 1508150105 ZQLZOXLUYFAERU-WIYYLYMNSA-N 438.594 2.300 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCc2cc(F)cc(F)c2)n1 1511716765 GXQRKMRYHKQQSD-LJQANCHMSA-N 427.459 2.389 30 10 IEEE CN(CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(=O)OC(C)(C)C 1517321816 WRWKLJOQHNDCKR-QZTJIDSGSA-N 445.568 2.173 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)CCO1 1521136083 BKPPLOXREXBVAT-QGZVFWFLSA-N 440.504 2.380 30 10 IEEE C=C[C@@H](CC)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1524034899 NMLPDZRXKPDPTD-ZDUSSCGKSA-N 441.937 2.106 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCCC(N)=O)cc3)CC2=O)cc1Cl 1526719311 DRQYKLFGZNISSF-AWEZNQCLSA-N 426.860 2.457 30 10 IEEE CC(C)[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)c2ccccc2C1=O 1531343013 VSPHJIYXMPIFKA-LJQANCHMSA-N 428.452 2.457 30 10 IEEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1535243646 YBZSSPONDHXPLX-XDHUDOTRSA-N 437.544 2.344 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1535585026 FWYPFQQDNBQQIP-UHFFFAOYSA-N 445.516 2.469 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1539053104 ZFKQEPHYQKPBOB-UHFFFAOYSA-N 445.589 2.208 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC(C)C)c1ccccc1OC 1539178842 KOCULTNQOGQGPX-PXNSSMCTSA-N 446.573 2.425 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539210386 DMUBDYCRTFSWNL-GOSISDBHSA-N 433.578 2.116 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCC1 1539284089 GZTGMODWVAAJNX-HDICACEKSA-N 427.549 2.427 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCc1ccnc(C(C)(C)C)n1 1539409392 ZQHRTUWJTNIHGX-UHFFFAOYSA-N 436.564 2.485 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCOCC1 1539417252 AODFCJYHMDUUTM-UHFFFAOYSA-N 429.540 2.205 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(C)(F)F)CC1 1539489270 TVUSUEQMKFEZSH-UHFFFAOYSA-N 433.507 2.151 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539801926 LRXDIFGSGXUCPO-JKSUJKDBSA-N 433.944 2.322 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)CC1 1539874236 KVOBZVVKOAZWQP-OAHLLOKOSA-N 431.562 2.369 30 10 IEEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1540098399 BCBUKZGBFXGEFA-GOSISDBHSA-N 446.533 2.432 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1540370964 MJOVDERLDOTBKU-FXAWDEMLSA-N 430.549 2.066 30 10 IEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[C@H]1COCCO1 1541644125 SOTLPUDLQCBNGK-FQEVSTJZSA-N 438.532 2.262 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)c1 1542277376 CLZPGPZPDHTEJA-FQEVSTJZSA-N 447.536 2.493 30 10 IEEE CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1546010122 GIHXWKWODAESCH-HXUWFJFHSA-N 449.563 2.158 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cccc3nc(CO)[nH]c23)n1 1546216417 RFVKYDBAYVLZNK-UHFFFAOYSA-N 427.515 2.421 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](COC(C)C)C3)n2Cc2ccc(C#N)o2)CCOC1 1547925044 XMXSMBYZFPLTSZ-KNQAVFIVSA-N 445.520 2.073 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1552910237 BAHVGAYHQIEQEA-OAHLLOKOSA-N 443.451 2.367 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1552913711 URBJZRFRKHPXCW-INIZCTEOSA-N 439.488 2.112 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1C 1554467900 HMLQTLOKLCMVFY-UHFFFAOYSA-N 433.516 2.443 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555270450 RLNPTGOGAXFLPG-SFHVURJKSA-N 433.447 2.336 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCc1nnc2n1CCCCC2 1555729984 ZHLFSPQACYJHRM-UWVAXJGDSA-N 442.568 2.301 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)c1ccco1 1555744327 WSYUEEUXMGLANY-HKUYNNGSSA-N 442.520 2.155 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1557540155 SVLWKRQSVYPBOZ-UHFFFAOYSA-N 427.526 2.357 30 10 IEEE N#Cc1cccc([C@H](NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)C(F)(F)F)c1 1558062341 LOOFKGCZPQZSRH-INIZCTEOSA-N 430.383 2.176 30 10 IEEE COC(=O)[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)c(O)c1 1567782584 HVHJVTYVQUEJEX-FQEVSTJZSA-N 446.500 2.382 30 10 IEEE C#CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1583105690 UGXQCEAUOZAGPC-UHFFFAOYSA-N 437.521 2.287 30 10 IEEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587746280 ODUCSHSDZKZELI-UHFFFAOYSA-N 440.523 2.462 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1587754781 MNQJKZISRCQFPU-UHFFFAOYSA-N 447.547 2.362 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N1CCSCC1 1587965852 VEOBSNKTMWMLMY-UHFFFAOYSA-N 439.994 2.047 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595517188 RUWNODJKKAGAEM-UHFFFAOYSA-N 429.484 2.091 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1595522375 CNEORQJZGINKTO-ZWKOTPCHSA-N 439.564 2.164 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@](C)(O)c2ccccc2)n1 1612502421 HOAYTGYJHILXPD-OFNKIYASSA-N 435.532 2.166 30 10 IEEE N#CCC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)CC1 1620357403 VVUUXESCGMBMBC-UHFFFAOYSA-N 445.329 2.243 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@@H](C)[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 1627295978 QXYQQTHWSMPHFC-IKGGRYGDSA-N 449.573 2.457 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O 1627960713 XMLVEUSJMFYTSO-OALUTQOASA-N 429.517 2.219 30 10 IEEE C#CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CCOCC1 1635116899 PHNKNBDRNNCXJA-MRXNPFEDSA-N 440.949 2.100 30 10 IEEE C#C[C@H](NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)c1ccc(Cl)cc1F 1636569670 CLSONDMKYSXJAM-ZDUSSCGKSA-N 432.761 2.477 30 10 IEEE C#CCN(C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327727 RSUSYOUYUMSSFO-UHFFFAOYSA-N 449.573 2.426 30 10 IEEE CN(C)CCCN(C)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1640238863 DZCJIFPONUGTGT-OAQYLSRUSA-N 443.592 2.392 30 10 IEEE CC(C)c1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(Cl)cc1 1640637181 UICMKEDCVBJKMY-UHFFFAOYSA-N 438.875 2.480 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1649683159 OKRCKHJFJODBHB-ZWKOTPCHSA-N 427.505 2.146 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 1653058594 QJWWTABWOWCYRH-SJLPKXTDSA-N 449.573 2.221 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1659403867 DVALIUFXBBLGBU-YUXAGFNASA-N 430.508 2.439 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1 1667321982 KNHNOCVHRJZKME-VDZJLULYSA-N 425.551 2.181 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1 1675523662 KFTNVQGHZBNFFT-AZUAARDMSA-N 432.590 2.004 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1676275421 SKICDJNQJMBCFF-ZDUSSCGKSA-N 437.518 2.335 30 10 IEEE C#C[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1682357160 ULDOSKXJMBOOFE-MSOLQXFVSA-N 435.546 2.084 30 10 IEEE COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1686054962 FFAMVCPGKRZFFP-ROUUACIJSA-N 428.489 2.300 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689994269 VIZKSVZYIVBNLK-CTNGQTDRSA-N 447.649 2.369 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2cccn(CC)c2=O)CC1 1690139898 DMXGXPMYZFYAEZ-UHFFFAOYSA-N 444.539 2.141 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690492210 QCJSWBYXYQNOGV-MRXNPFEDSA-N 428.562 2.437 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1690597562 XKICEROYNODATI-VQIMIIECSA-N 441.623 2.075 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC[C@@H]1C 1696328376 DHSDKOKOYYHVRE-FUHWJXTLSA-N 426.569 2.491 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1696990675 NPEYAMUUYHXXDP-XXBNENTESA-N 438.532 2.117 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705544336 MRCIWKHGFQPVOK-GAJHUEQPSA-N 442.516 2.378 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCN(CC)CC1 1705578618 ZSVAFUGAGHLIDT-UHFFFAOYSA-N 429.572 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705589856 WSGQVOMDEJLTNV-FHWLQOOXSA-N 449.621 2.193 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1F 1705598620 MPIMVCSQVWYBDP-ROUUACIJSA-N 444.532 2.250 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)(F)F)c2)CC1 1705632201 XWYFVLGPPMAYDZ-UHFFFAOYSA-N 446.477 2.336 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCCC2)CC1 1705632549 TUJSGCSGMGLCDZ-UHFFFAOYSA-N 449.603 2.388 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705657262 YNKYYOMHEBQWFH-UHFFFAOYSA-N 433.603 2.172 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705664090 VKEYOCKZBYGPJV-LJQANCHMSA-N 427.574 2.371 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705734342 LSDFOCNTLBGVAO-NRFANRHFSA-N 441.624 2.481 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1705792499 UTOWUOXVNKYTRG-ZWKOTPCHSA-N 440.610 2.414 30 10 IEEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705839361 XVFRSBRMKSFSKW-INIZCTEOSA-N 426.546 2.397 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705872471 YXCDPZCEQMULRF-UHFFFAOYSA-N 445.575 2.499 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705907244 FNEYBVKVEBTBNJ-IBGZPJMESA-N 426.569 2.363 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cc(C)oc2C)C1 1705929760 XBTHKOCUADKWHK-JPYJTQIMSA-N 443.548 2.299 30 10 IEEE CCC[C@H](Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1709521678 SPRQWNPMDXQPJB-VIZSFHNOSA-N 446.596 2.310 30 10 IEEE CCOc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1710532604 ORNNOIFSHRFOFY-NZQKXSOJSA-N 441.532 2.494 30 10 IEEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-n2cncn2)nc1 1710810400 YKOWYYQONJCYDP-UHFFFAOYSA-N 429.488 2.313 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1710923303 CLGNFZJZIXLKDL-XYSIDCHVSA-N 431.562 2.279 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1OCCC1(C)C 1712455444 XOVJJUKGLLUVFG-KRWDZBQOSA-N 430.509 2.187 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1722276921 KASFAOFRWWVMHB-FDDCHVKYSA-N 435.532 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1722296559 RPSDLKZCOMZKTM-PKOBYXMFSA-N 446.573 2.020 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722505178 AOFGTBJCAHIACH-UFYCRDLUSA-N 431.581 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722508691 TXLHNGJUKHVRMK-QYZOEREBSA-N 431.562 2.335 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1722573041 MQJSWMJJJZPDSS-UHFFFAOYSA-N 431.562 2.293 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1722657985 DUQTYEAKCJGNKM-IHPCNDPISA-N 445.589 2.460 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cscn1 1722694988 OMCACJJKKWISRN-UHFFFAOYSA-N 428.518 2.357 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2cccn2)CC1 1722700036 TZPBILQVJWSKHL-UHFFFAOYSA-N 437.523 2.423 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)C1 1722718799 NCWCKARIYICLMJ-MSOLQXFVSA-N 438.594 2.168 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1722738755 OSONWFMYWBCIPW-INIZCTEOSA-N 426.608 2.106 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC(C)(C)C2)CCOC1 1723663764 LUTQTAVCKVWMOV-GCJKJVERSA-N 434.585 2.168 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1724004803 OFAWSKLCPUQQTK-OKZBNKHCSA-N 445.495 2.482 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)c1 1724282802 ZTWIXHSRVVMQKZ-AVRDEDQJSA-N 427.505 2.008 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)C 1740537962 AWUZSRKVRVNSEC-QFBILLFUSA-N 433.578 2.324 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1740548381 AOCZYLCSPJFZOY-STQMWFEESA-N 427.452 2.100 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740588732 FBZMCWAZSNKYRX-KRWDZBQOSA-N 430.553 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC12CCOCC2 1740687832 HYIFCDKSVGNHQK-QGZVFWFLSA-N 443.573 2.172 30 10 IEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCC=C)CC1 1740695410 QFHTYVFPMOOZML-UHFFFAOYSA-N 441.605 2.350 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1740698701 LDPDCEOBJMIEGV-UGKGYDQZSA-N 438.624 2.015 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC(=O)N1CCOCC1 1740734294 XTXHBHLHZZFXCU-XMMPIXPASA-N 437.544 2.325 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740744452 UDTFRDDGYOYMGN-OAGGEKHMSA-N 427.343 2.465 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)CC1 1740759445 IUKKOLRIAOHEOL-YCRPNKLZSA-N 431.487 2.455 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740783924 AEPJGQONZATTQT-FQEVSTJZSA-N 437.592 2.363 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740789291 JFKRXIARUXLDPA-UHFFFAOYSA-N 444.536 2.013 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)Cc2ccccc2)CC1 1740832952 JJZAKKDFGAKQPU-GOSISDBHSA-N 446.621 2.423 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1740937131 AZVFAUQXWYGIBE-RTBURBONSA-N 447.605 2.350 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1740941760 RYYYJBHRSBTXPW-LQWHRVPQSA-N 438.594 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCc1nccs1 1740953709 OUMHBMXKKAXDDW-UHFFFAOYSA-N 427.490 2.291 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1 1740969203 LKGCGXJZJSHAMY-PKOBYXMFSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCC2)C1 1740979600 ASYUCBAHACKKSP-GOSISDBHSA-N 431.562 2.013 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740999949 JKSYPGPARVGNLP-SFHVURJKSA-N 428.566 2.008 30 10 IEEE CC(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741690533 JXWYVJDZWHFUOK-GOSISDBHSA-N 427.578 2.022 30 10 IEEE CC[C@H](C)c1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743797420 FGDDTDCAUANDBZ-RJCBAWPRSA-N 428.537 2.467 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(C)cn1 1747395588 GLRZZKKNWXRSNY-KRWDZBQOSA-N 441.561 2.281 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC[S@@](=O)CC)c1 1748692590 JENXGPJHRINQJZ-KKIUXKEOSA-N 443.573 2.345 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1748860303 UUWKXSKBEJYYMQ-HXUWFJFHSA-N 438.551 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1-n1cccn1 1748875093 JBLFKVREGIZUKR-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1748876426 FTBSCAQXQINTMM-IFMALSPDSA-N 444.543 2.445 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1SC 1748962725 PDQHHJLUGXADEN-GOSISDBHSA-N 448.614 2.345 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cccc(O)c2)n1 1748971053 BMCAVIXYNSSXGI-IBGZPJMESA-N 436.516 2.019 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCCCO)CC1 1748979718 JTTONJSXABRPAP-GOSISDBHSA-N 443.617 2.286 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1749008975 DXORMRSDOSQNAO-CYFREDJKSA-N 443.592 2.079 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749113141 VROYFDKWGHDOJC-JKSUJKDBSA-N 428.375 2.270 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1749195333 MFIAQGMAUGJVBK-UHFFFAOYSA-N 425.505 2.241 30 10 IEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1749222435 IIXLMNJBFKARCO-UHFFFAOYSA-N 438.532 2.314 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749331473 LGHYZELWZSERBK-UHFFFAOYSA-N 441.557 2.159 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NCCC)CC1 1749336269 HPRTZJQKDYFZJS-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1749449108 HYYAMXPCEZUPPG-QFIPXVFZSA-N 427.505 2.011 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1749471863 UXIJIIZKBAALCA-UHFFFAOYSA-N 435.550 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749655682 OYMXVGNPXCXPOA-YCRPNKLZSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](COC(C)C)C1 1749729405 IMAMEMIIOMEPLA-LJQANCHMSA-N 448.589 2.485 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1760185979 ICDRDBMLMMYRJB-SUNYJGFJSA-N 438.475 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(F)c1 1760218256 BHPOMASEQZSQQL-MSOLQXFVSA-N 444.532 2.250 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1760259637 OFPWRMOYSNNCBO-GOSISDBHSA-N 432.569 2.190 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)[C@H](C)CC)CC1 1760262316 LPMLMWLBEMWAOY-DVECYGJZSA-N 425.577 2.430 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1760386536 BDCZHJBPVRBPOT-OAQYLSRUSA-N 443.939 2.276 30 10 IEEE C=CCCCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760421367 MKDYRPNYGKBESC-GOSISDBHSA-N 425.599 2.389 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1760449787 VBXOJHNRFDVAMT-GCJKJVERSA-N 429.496 2.059 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1760462697 HJNOTFUAFSFRGH-VGSWGCGISA-N 434.585 2.081 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1760530581 VWHJVNQLCQPKHE-OALUTQOASA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC[C@H](CO)O2)C1 1760537195 KZFQPLDHJRLUCG-CEXWTWQISA-N 444.532 2.284 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760567315 WJFIVXVMAIGUQI-HXUWFJFHSA-N 433.603 2.198 30 10 IEEE CC(C)OCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761318824 MELZZLMXHKAGMU-IBGZPJMESA-N 425.493 2.455 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1766427246 AHQILKXNIQMGPY-QGZVFWFLSA-N 432.525 2.111 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)F 1767446732 NENJTOGBXKVDNT-LBPRGKRZSA-N 445.268 2.404 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC[C@@H]1C 1769112231 IEMAMZIJSAGBNK-IOMROCGXSA-N 441.532 2.395 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1769843355 HMLVYJKLNRKYEL-UHFFFAOYSA-N 449.519 2.243 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1770920385 DVFYRJNYNTUTJE-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE COc1ccccc1N1C[C@@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851518820 CHAYCTWDCLNYFZ-LBPRGKRZSA-N 447.435 2.309 30 10 IEEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)nc1 1851600951 OZSGYFNVVNUGFO-UHFFFAOYSA-N 435.875 2.222 30 10 IEEE CC(C)[C@@H](C(=O)OCC1CCN(c2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1851627350 PPSNNMABCNLMGI-NRFANRHFSA-N 433.574 2.073 30 10 IEEE Cn1cc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(C(F)(F)F)n1 1852227871 UUZAENBRKLTKCB-MRXNPFEDSA-N 438.406 2.247 30 10 IEEE C=C[C@H]1CCCCN1[C@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C1=O 1854567805 LRUZCVWONSHRNS-PXNSSMCTSA-N 434.558 2.417 30 10 IEEE CCOC(=O)c1ccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858421640 ALSCNAWXMPQYHD-QGZVFWFLSA-N 427.482 2.384 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCC(=O)c2ccc(C)cc2)cc1 1858648072 RMTOVNHMFSHZGR-UHFFFAOYSA-N 443.525 2.448 30 10 IEEE C=CCNC(=O)[C@@H](CCCC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861594287 SSFFZDBCPXBXKM-RTBURBONSA-N 445.560 2.072 30 10 IEEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1866335658 IUIQWVSYXINNDZ-AWEZNQCLSA-N 448.932 2.251 30 10 IEEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(C)CC(=O)OCC 1868782366 HWFSSUQOLVIXSF-MSOLQXFVSA-N 448.589 2.331 30 10 IEEE O=C(NCCCCCCO)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931584 AQRUNZXYXPEISI-LJQANCHMSA-N 429.542 2.005 30 10 IEEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N(C)C)cc2)c(OC)c1 1870098433 DKMRGDMKTVZGPE-UHFFFAOYSA-N 428.474 2.023 30 10 IEEE N#Cc1c(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)sc2c1CCC2 1870104052 OECKPNWPBGFFLZ-UHFFFAOYSA-N 449.471 2.236 30 10 IEEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCOC)CCOC 1870348904 QVNQGESZFXFVPL-UHFFFAOYSA-N 443.544 2.430 30 10 IEEE C=CCOc1cn(CCCN2CCOCC2)c(CN(CCO)Cc2ccccc2)cc1=O 1870385068 GRUSGXJYDVQVKI-UHFFFAOYSA-N 441.572 2.130 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 1890155755 VTXRGCOQJLKKRT-UHFFFAOYSA-N 434.924 2.120 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987542575 LRDZEJNZWWWVGH-JYJNAYRXSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N=c1[nH]c2c(cc1C#N)COC2 2013411785 SNXANMVYKPZPCQ-UHFFFAOYSA-N 433.509 2.235 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]12 2060637046 FZQVBITVSRZCPF-ZMOMAAQPSA-N 430.314 2.018 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754332 MBABFUGXFWMHMY-NRLZPTQJSA-N 436.358 2.489 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(OCC#N)cc1 2164488944 ZFTLASYZTMKQGQ-FQEVSTJZSA-N 431.445 2.355 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C#CBr)C1 2174694322 XWDQLKOZHKMABV-CABCVRRESA-N 442.354 2.097 30 10 IEEE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248441332 LIBVARMLJIWJLN-DGCLKSJQSA-N 443.350 2.310 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2252818748 WJIBTAKILXVPBQ-AWEZNQCLSA-N 426.294 2.438 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)C1 2255192444 KQTOCPJFLWZORV-OVXWWFRRSA-N 449.548 2.044 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255802735 CYVAVMFIGBVYPU-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCN(C)C)Cc1ccccc1 2255835036 LEPMQXYBORQMKN-UHFFFAOYSA-N 426.370 2.406 30 10 IEEE Cc1cnc(C(=O)NCC=CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255869221 YKJCKKWPIRGYDY-UHFFFAOYSA-N 431.342 2.500 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266762686 BTBXRSIYYBGHCV-UHFFFAOYSA-N 446.401 2.370 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2267001790 PRKGLTWUIYLSHT-GJZGRUSLSA-N 443.353 2.366 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267150625 VBBQRKWLOVZLHP-ZBFHGGJFSA-N 448.373 2.187 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267266144 BDBGPBGSESOQKF-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE Cc1nn(C)c(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2267513658 QAIOJDNRNDKKRT-KOSHJBKYSA-N 436.365 2.032 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267522133 SPPMCQZUQWOCLA-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881353 ZRFVWMCAYISPBZ-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268642385 SAGYFHJWIAUTJI-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE Cc1cc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)oc1B1OC(C)(C)C(C)(C)O1 2269083769 AZHFHMWEHULRMI-QGZVFWFLSA-N 442.321 2.202 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N=c2ncnc3[nH][nH]c(Br)c2-3)C1 2295088702 RLHPUFHMSSCFOZ-UHFFFAOYSA-N 437.298 2.289 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2303308997 XSOUNJQNQLEPLM-HSALFYBXSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315646497 UUVJKVZLNJFMOV-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2-c2cccs2)cc(OC)c1OC 2330567183 MXFRKGXEWXEOBE-UHFFFAOYSA-N 433.515 2.492 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCN(Cc3ccccc3)CC2)n1C 2337286284 XQHPRZWSZHUXLH-UHFFFAOYSA-N 438.381 2.422 30 10 IEEE C=CCNC(=O)CN1CCN(CCC(=O)N[C@H](c2ccccc2)c2cccs2)CC1 28902748 SAHBODOJCFTYNB-HSZRJFAPSA-N 426.586 2.264 30 10 IEEE C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1I 59292774 VKOZXRMFJYYRDF-GHXNOFRVSA-N 443.218 2.424 30 10 IEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cn1 59830162 BDCDSOPOIVNTPK-ZVBGSRNCSA-N 425.522 2.168 30 10 IEEE N#Cc1cccc(C(=O)NC2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)c1 257183595 HTEONPHIQBMRRJ-SYYKKAFVSA-N 449.555 2.205 30 10 IEEE CNC(=O)[C@H](NC(=O)COc1c(C#N)cnc2c(OC)cc(OC)cc12)c1ccccc1 428288759 SEFXTPRJKAHDKD-HXUWFJFHSA-N 434.452 2.106 30 10 IEEE CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443328467 GBGYZPYNCSCGBP-UHFFFAOYSA-N 434.562 2.396 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1C 446114693 VEAGFOCNLVVHOR-KRWDZBQOSA-N 426.538 2.134 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 460799560 ONMKGUPZTUCSOD-INIZCTEOSA-N 435.532 2.308 30 10 IEEE Cc1ccccc1C(=O)C=c1sc(=Cc2cccc(C#N)c2)c(=O)n1Cc1ncccn1 478256066 TXNQMIJTIWUYRY-UHFFFAOYSA-N 438.512 2.420 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 482221527 FERHQTYTKHINSV-AEFFLSMTSA-N 442.541 2.019 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1 484166264 UWVOYXZPFZBWHJ-XMMPIXPASA-N 445.567 2.256 30 10 IEEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@@H]2CCCO2)c1 497573574 XBIOAXHCMHEJFI-FQEVSTJZSA-N 445.544 2.487 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c(OC)c1 497602502 GUROUCQUWYKRQB-QAPCUYQASA-N 432.542 2.262 30 10 IEEE CS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1Cl 525421633 RTSLSPZFRGFPPE-UHFFFAOYSA-N 434.909 2.332 30 10 IEEE C=CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 548738008 UDLDLUSXKHWSHQ-GFCCVEGCSA-N 431.308 2.443 30 10 IEEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c1 556782192 KKNQPTGKUOMPIG-UHFFFAOYSA-N 436.512 2.261 30 10 IEEE CN1CCC(Oc2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1 560086849 FOWQELAXPNHMTI-UHFFFAOYSA-N 434.544 2.458 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccs2)CC1 573010152 MNRCTBBPGVERIX-KRWDZBQOSA-N 437.591 2.123 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)OC(=O)c3cccc(-n4nnnc4C)c3)cc21 586274525 ZWYWIYWUEKFLKC-AWEZNQCLSA-N 447.451 2.310 30 10 IEEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccs2)c1=O 589162174 WUIKHLRUDXDTAU-UHFFFAOYSA-N 429.611 2.431 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(Cc4nccn4C(F)F)CC3)CC2)nc1 609139614 KMOLKINKUPWWIV-UHFFFAOYSA-N 444.490 2.041 30 10 IEEE N#Cc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(F)c1 609253072 RBNXGIREWLUXIA-UHFFFAOYSA-N 429.883 2.499 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c2)n1 619663530 ZLGHJRPQZLNFBN-UHFFFAOYSA-N 447.503 2.424 30 10 IEEE C[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1cccc(NS(C)(=O)=O)c1 727480940 JOVIVGBATKHFDY-OAHLLOKOSA-N 442.545 2.354 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 728831076 QQXPWGZIAREEHZ-UHFFFAOYSA-N 429.498 2.424 30 10 IEEE CCOC(=O)C1=C(COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)NC(=O)N[C@@H]1C 732399043 TYUXEXDPVWVGFS-CYBMUJFWSA-N 436.424 2.421 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)c1 733078053 SANPTOOPKPTPLU-WMZHIEFXSA-N 442.585 2.094 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 747376609 ZOIGDNMBQIHXIV-STIUTOJCSA-N 438.575 2.140 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc1C#N 747494815 FLTOSZKBUMQUPK-UHFFFAOYSA-N 429.436 2.469 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2ccncc2)c1=O 758074432 AEKWSUUWCAJOMT-UHFFFAOYSA-N 439.418 2.343 30 10 IEEE CC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1cccnc1C#N)Cc1cccnc1 758097394 WLPSCXSVRZMQNF-UHFFFAOYSA-N 431.518 2.454 30 10 IEEE CC(=O)N[C@@H](CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1F 760401751 ZUWGMYGABDWNKI-KRWDZBQOSA-N 427.473 2.452 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(C)oc2C)c1=O 767956976 ZWXBYYHFICAFOK-UHFFFAOYSA-N 438.505 2.161 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2coc3c(C)cc(Br)cc23)CC1 771322586 WFHDRRAKSWUMQW-UHFFFAOYSA-N 432.318 2.401 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc[nH]n1 772544281 NWBPMEJLYUTVHV-OAHLLOKOSA-N 434.321 2.392 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c(=O)n1-c1ccc(F)cc1 780294239 QECUUFHGRKESDN-UHFFFAOYSA-N 445.454 2.449 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780881842 VAYNIWFWGKCUPZ-UXHICEINSA-N 427.888 2.304 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@@H](COc3ccccc3)C2)C1 790487191 SBNUMVCTAXPMHR-QXAKKESOSA-N 430.505 2.235 30 10 IEEE COc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c(C)c1OC 794394955 WJMRDGFFVWKMJJ-GFCCVEGCSA-N 447.513 2.477 30 10 IEEE C[C@@H]1COCC[C@H]1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 795174647 BUQQHTQAVGXHGT-ZIFCJYIRSA-N 432.590 2.359 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)[C@H](C#N)C1 798111255 WMPJNTBHYDENLN-ZJPYXAASSA-N 433.553 2.226 30 10 IEEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)c3cc(Br)ccc32)CC1 798228765 UAWPBFUYLFLCGS-UHFFFAOYSA-N 426.274 2.025 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)n(Cc2ccco2)c1C 800260744 MGJGHIOTORAEOF-JYAUDTRFSA-N 445.475 2.427 30 10 IEEE COCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 802340605 PLLLGPBBADVQEU-UHFFFAOYSA-N 433.516 2.139 30 10 IEEE CCCN(C(=O)[C@@H](C)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 803922882 WKHZTNGIKIYIBG-KDOFPFPSSA-N 436.505 2.086 30 10 IEEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1 812074842 JHVMTOJRMQNHGG-INIZCTEOSA-N 434.541 2.363 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)cc1 814319355 ZHPWNAVRXXZINI-IRISZBEPSA-N 442.545 2.169 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)CC1 915660024 SDUGUDDIPXYRCN-CJAUYULYSA-N 445.523 2.231 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)CC1 915660025 SDUGUDDIPXYRCN-IQGLISFBSA-N 445.523 2.231 30 10 IEEE CSc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)cc1 916776276 XEAVKQMTNXVBDR-INIZCTEOSA-N 429.523 2.279 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1-c1ccccc1C#N 917800063 XYHSAXHCSXIXPH-UHFFFAOYSA-N 432.848 2.179 30 10 IEEE N#Cc1nc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)ccc1Br 1130237047 BEEJIHYSIAKDKO-UHFFFAOYSA-N 449.330 2.198 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCCCn2cnc3c(N)ncnc32)CC1 1135982681 MDFJVDQTTAJLMT-SFHVURJKSA-N 436.495 2.127 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC(O)C1 1135983128 QJUYOQWWTIOUQV-FVRICEFQSA-N 446.523 2.200 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1 1136205093 LNACVLWMDNRVIM-UHFFFAOYSA-N 439.537 2.124 30 10 IEEE C=CCN(Cc1cc(OC)c(C(=O)OC)cc1Br)[C@@H]1CCS(=O)(=O)C1 1167734544 NTEKERXIRSREIS-CYBMUJFWSA-N 432.336 2.419 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NCCC(=O)N1CCN(C)CC1 1219084008 DBCJPKDRCRNJTQ-UHFFFAOYSA-N 425.327 2.300 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 1251846360 CDZZBEQEJCAYEX-WZONZLPQSA-N 435.484 2.422 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1286390670 DPEWGRJIRUIRAH-SFHVURJKSA-N 431.537 2.173 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCC1 1286438803 IJCNCKWLLKMSKX-UHFFFAOYSA-N 440.573 2.006 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1286447834 NRKZLCNZAUMNDQ-AWEZNQCLSA-N 442.463 2.429 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(OC)CCCCC2)CC1 1286484237 GWMXJHIFNGBMIE-UHFFFAOYSA-N 425.581 2.244 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1286567095 USXPZXKMXVBXOL-WMZHIEFXSA-N 439.560 2.379 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286605484 XRHDUWPTTVESPX-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1286700757 QLFAYPZMKMNWBC-IRXDYDNUSA-N 443.639 2.299 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1286752351 WBCWMSDLXKSNDZ-JOCHJYFZSA-N 444.967 2.107 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286798348 GYSXIIDHTBVKQM-MBSDFSHPSA-N 425.533 2.358 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCO[C@H]1C 1287216717 HRVVLRWPZUNDLB-KSFYIVLOSA-N 428.512 2.279 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN(c4cccnn4)CC3)C2)C1 1296401387 NWZQHIMODVVQNJ-BNGSBABLSA-N 440.548 2.348 30 10 IEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1ccnn1 1297249505 FOFLSYSPJFHFMA-UHFFFAOYSA-N 449.563 2.080 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1ccc(C(N)=O)nc1 1298326944 GBCURXPQGMBKKP-UHFFFAOYSA-N 438.495 2.314 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCC1 1298801827 QSSAFYUIJAOHDQ-INIZCTEOSA-N 448.369 2.261 30 10 IEEE CO[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1299568953 AWOQTAHDYUCLHT-OALUTQOASA-N 446.559 2.475 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(F)cn2)c1 1300332650 KGPYZEQPPWXUMF-UHFFFAOYSA-N 442.458 2.374 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300358570 YUVAXHBLQLWSQJ-KNQAVFIVSA-N 437.592 2.456 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300384646 UKXAHWSVFODVQD-FRQCXROJSA-N 430.480 2.331 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)CC1 1300863160 JPIWFZVZISOVHD-MRXNPFEDSA-N 426.359 2.339 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccsc2)CC1 1300973167 VTBBIWOGAJNMQH-UHFFFAOYSA-N 432.594 2.393 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCSC1 1300980228 GGFHXCHPEIHERF-SFHVURJKSA-N 426.550 2.455 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)CC1 1301066714 TVCBTRYHOUNKDG-QGZVFWFLSA-N 432.594 2.467 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCC)C1 1301536228 SHHDMTVRXCYBAR-GOSISDBHSA-N 426.521 2.137 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]2c2ccccc2)C1 1301538719 KLBSFILXPSMDFX-LEAZDLGRSA-N 445.589 2.473 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1303011895 VBIKNSARAUODOG-OALUTQOASA-N 440.523 2.395 30 10 IEEE C#Cc1cncc(C(=O)N2CCN([C@@](C)(CO)c3ccc(Br)cc3)CC2)c1 1304556123 IZZVHHDSTIEGCA-NRFANRHFSA-N 428.330 2.491 30 10 IEEE N#CCC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cncn2)CC1 1316537607 CXSLSIWRWKHPQJ-UHFFFAOYSA-N 430.314 2.457 30 10 IEEE C=CCn1cc(C(=O)N(CCC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nn1 1350589009 HNOAIBWGXYWVJR-UHFFFAOYSA-N 437.504 2.050 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1358956708 JSDZHQHGUFNTKV-CYBMUJFWSA-N 429.365 2.086 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOCC1 1358999950 IAUXQISJSGDORQ-UHFFFAOYSA-N 444.967 2.043 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C#N)o2)CC1 1359028072 GNIIFQUBUHXGDC-UHFFFAOYSA-N 443.511 2.415 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ncnn2C(C)(C)C)CC1 1359036751 HULGKDUMUDRYJK-UHFFFAOYSA-N 436.539 2.158 30 10 IEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359059253 HCIBGLVGAHMXRI-KRWDZBQOSA-N 443.598 2.340 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359177679 XOCOWIPTJZNZTR-KRWDZBQOSA-N 437.470 2.401 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1359306970 WUYMXNMVDLBZCD-PXCRPINLSA-N 443.523 2.246 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CCOC)CC2)cc1 1359307598 PMRHDHUOKBQDEQ-UHFFFAOYSA-N 437.548 2.060 30 10 IEEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N(C)Cc1ccccc1 1360529452 HGVMFQBBFSSWBW-MBSDFSHPSA-N 439.539 2.477 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1436779450 XKWQOXSGFNXHCI-IBGZPJMESA-N 429.473 2.438 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(Br)cc(F)cc3s2)C1=O 1439959543 IHDQIZBZWSQEID-UHFFFAOYSA-N 441.238 2.113 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cncc(N4CCCC4)n3)c(C#N)c2N)cc1 1445164474 YDRSVYASKAKMSZ-UHFFFAOYSA-N 430.516 2.387 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1446626555 DNDGFZCOYUQMJA-NRFANRHFSA-N 438.546 2.078 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](O)c2cc(OC)ccc2OC)c1 1455527703 HNKWXWNYEWHTSN-VLIAUNLRSA-N 434.514 2.020 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 1462839625 LHFVGJWOEBGHIK-OAHLLOKOSA-N 444.513 2.182 30 10 IEEE CC(C)[C@@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1467331103 ANZPKTMJJSPMFP-LEWJYISDSA-N 434.496 2.433 30 10 IEEE C#C[C@H](NC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Br)cc1 1469257337 ADAGRFXKUUAXSS-IAVJCBSLSA-N 442.313 2.230 30 10 IEEE CCOC(=O)COCCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470208763 GNSZERPWUJSJBW-DTORHVGOSA-N 442.303 2.379 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1504569864 CRMQKLDLNLREFB-FHLIZLRMSA-N 427.461 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1nc2cc(OC)ccc2n1C 1507516991 OFNLEWXNSFYROZ-CVEARBPZSA-N 426.521 2.404 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCN(CCC)C(=O)OC(C)(C)C 1507649011 XEMVXMGOQZEGJY-UHFFFAOYSA-N 425.537 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCCS(C)(=O)=O 1507659687 COXOGTJGZWHJDI-KRWDZBQOSA-N 432.521 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(N)=O)cc2)CC1 1507739289 DXSUJGFLUUSOQB-UHFFFAOYSA-N 448.571 2.124 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1507757378 STCKHZNEQROTFW-QFIPXVFZSA-N 441.557 2.091 30 10 IEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508065523 GFYIQANVWHIDSV-FQEVSTJZSA-N 438.532 2.427 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nncn2CC)C1 1508128542 OIUSTNGTDOJFGW-GOSISDBHSA-N 427.484 2.437 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncn(C)n2)C1 1508130382 VMZHHVOYDZDHQN-KRWDZBQOSA-N 429.912 2.469 30 10 IEEE CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1508631237 UVSRDKAZKRGBES-UHFFFAOYSA-N 448.531 2.407 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1510292204 ZLFXHSKKQRLLER-WZONZLPQSA-N 438.532 2.215 30 10 IEEE CC[C@@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1512821438 XYMMIQAAQSBXMT-UDJKBAMHSA-N 426.525 2.171 30 10 IEEE CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1514173895 QYYAVMGNLMMZGG-SKOAFDGASA-N 446.577 2.030 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)CC2)c1C#N 1516426000 SGKTVGPHXSFTRX-UHFFFAOYSA-N 445.314 2.450 30 10 IEEE N#Cc1cc(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)co1 1520404956 FGJNRQFMPDRYAN-AWEZNQCLSA-N 438.303 2.497 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)n1 1524968149 JVBHINHJOMMLMN-HSZRJFAPSA-N 426.517 2.020 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 1527788307 XPHMWCUHYXNNKG-RUZDIDTESA-N 449.507 2.410 30 10 IEEE CN(CCCC(=O)Nc1nn(C(C)(C)C)cc1C#N)C1=NS(=O)(=O)c2ccccc21 1533772395 DDVPDQHSXCVXDO-UHFFFAOYSA-N 428.518 2.309 30 10 IEEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539109195 KLXQLUYVGSWFQV-SFHVURJKSA-N 438.557 2.425 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC1CCOCC1 1539155026 QNWSNGVCOYYHRA-UHFFFAOYSA-N 446.573 2.251 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)F 1539193983 OJDMIWHXCIRCEX-UHFFFAOYSA-N 442.264 2.070 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1539220543 KQXZZKXJZXLAEE-AZUAARDMSA-N 433.622 2.294 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)N2CCCCC2)CC1 1539459820 OVEJSBNJHOREMK-OAQYLSRUSA-N 438.624 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539616741 RTPDKQBJCGZLIS-ZVDOUQERSA-N 432.613 2.419 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)CC1 1539855924 MYUXPTJTOALLHI-UHFFFAOYSA-N 430.578 2.148 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N2CCOCC2)c1 1542268702 DVQRPDCLBIXYHZ-LJQANCHMSA-N 440.548 2.461 30 10 IEEE Cn1cnnc1[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1543706422 RLFJCVGVNFUIKM-YYOAPQJESA-N 428.537 2.308 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(=O)n(C)cc2Br)C1=O 1556439053 DGDRUISSOZRBJF-GOSISDBHSA-N 441.326 2.464 30 10 IEEE N#Cc1cnn(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)c1N 1557715403 LSJPVMPRQBHBDH-JTQLQIEISA-N 444.336 2.045 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1557719105 OSWFSJTZZFYHGD-FQEVSTJZSA-N 444.582 2.281 30 10 IEEE C=CCC1(NC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CCOCC1 1562774024 GNZZRFNTAZBRMZ-INIZCTEOSA-N 433.505 2.241 30 10 IEEE Cn1cc(CNC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1567483527 RVRPFLZGAMRNCT-QHCPKHFHSA-N 439.516 2.337 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2nc(CN3CCCCC3)no2)CC1 1568975789 INMRCSLCTKYLLB-UHFFFAOYSA-N 431.537 2.322 30 10 IEEE Cn1c(S)nnc1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1585566632 FWYDSMINXOGNBV-KBPBESRZSA-N 444.948 2.388 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCCc1cccc(Br)c1)c1cc[nH]n1 1585967765 BZPHCGNWWOZRQF-UHFFFAOYSA-N 437.294 2.205 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 1586778502 XWOBTDNBGIFBJX-UHFFFAOYSA-N 434.558 2.207 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 1587184715 ABLZKUHHKPLTQB-FQEVSTJZSA-N 427.848 2.457 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1587759293 RUXJPEDPJIKAPZ-NRFANRHFSA-N 448.571 2.232 30 10 IEEE C#CCCCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1587793830 UUKCENPGAQOOFO-QHCPKHFHSA-N 442.564 2.352 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1587975032 KIDYOUYUWVIUTH-UHFFFAOYSA-N 425.514 2.200 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1588050428 SECSYJMCVXWYSA-QGZVFWFLSA-N 441.557 2.480 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccnc1)C(C)C 1588180311 CEZNLMDOTLONCF-UYAOXDASSA-N 442.589 2.186 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCOC1 1589657814 LRHBFKZJPXUYGM-JOCHJYFZSA-N 427.553 2.006 30 10 IEEE C#CCN(C(=O)Cn1nnnc1-c1ccsc1)C1CCN(C(=O)OC(C)(C)C)CC1 1596147118 MDFLHBNXQIPTNT-UHFFFAOYSA-N 430.534 2.263 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1596865505 AEQLUHBUTXPCRU-VWKPWSFCSA-N 433.578 2.482 30 10 IEEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705313 QPWNYNCUICXAEQ-OPAMFIHVSA-N 440.862 2.401 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCC(=O)NC1CC1 1603673577 DEMWIDUTJAZJCI-UHFFFAOYSA-N 436.564 2.129 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOc1ccccc1 1611678237 DBJYHQTZSQIPDS-QGZVFWFLSA-N 446.577 2.487 30 10 IEEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1 1615506036 VCURZQMXPVWRDX-FQEVSTJZSA-N 445.519 2.206 30 10 IEEE C#Cc1ccc(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1 1616908630 XLTAJHPTPPQGRM-UHFFFAOYSA-N 437.477 2.195 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1619912192 UZBJSEQSRFYEJG-GOEBONIOSA-N 443.577 2.225 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)Cc2c(Br)cccc2OC)c1 1621672036 PKLXNCOKDGDUNP-UHFFFAOYSA-N 437.315 2.497 30 10 IEEE C#CCN(C(=O)Nc1ccc(I)cc1F)[C@H]1CCS(=O)(=O)C1 1626181346 FWRLSTXYAYVQFM-NSHDSACASA-N 436.246 2.085 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C(CC)(CC)Cc2nc3ccccc3s2)CC1 1632960724 MOZUVHZWYMVVIB-UHFFFAOYSA-N 448.614 2.257 30 10 IEEE CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637506714 ZAHASLZBYNQTGE-FPLPWBNLSA-N 431.452 2.254 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@@H]2CCCN3CCSC[C@H]23)nn(-c2ccccc2)c1N 1638402100 FTJCSRQHBZXXIY-WOJBJXKFSA-N 439.589 2.138 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1639503044 ARVPWAGZGTVDAH-GAJHUEQPSA-N 426.517 2.491 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1639826721 QZGJHPRDOSQABA-CQSZACIVSA-N 435.905 2.125 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C1 1640218646 JGRNZSBCOOTZDL-HNNXBMFYSA-N 426.278 2.109 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CC(F)(F)CO)CC2)n(-c2ccc(F)cc2)c1C 1643637035 HUHJSVUWNWTJKN-UHFFFAOYSA-N 449.477 2.289 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C)C(C)(C)CC3)nnc12 1651175302 RJRUSWVKGREADX-UHFFFAOYSA-N 440.573 2.265 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)C2)nc1 1652331981 MLIODUTYMGXGIF-NHAYFPRASA-N 428.562 2.082 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(-c3ccc(C)cc3C)s2)CC1 1669704960 YSKGPAYKRLXHSQ-UHFFFAOYSA-N 433.559 2.044 30 10 IEEE C#C[C@H](NC(=O)NCc1cccc(CS(N)(=O)=O)c1)c1ccc(Br)cc1 1672607823 CEEHNBZFRIWPSL-KRWDZBQOSA-N 436.331 2.411 30 10 IEEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1682990369 KFHNSDITSGQQGE-UHFFFAOYSA-N 437.562 2.482 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1 1686549223 ZUFNJDQKYQORSA-CTNGQTDRSA-N 426.561 2.221 30 10 IEEE C=CCn1cc(CNC(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)nn1 1686849273 WJIQNQWNSKBACH-UHFFFAOYSA-N 426.296 2.300 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2nncn2CC)c1 1689870206 FWERISONYKOMIT-UHFFFAOYSA-N 441.499 2.056 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1689981738 ANHCHSPKHWSENC-CQSZACIVSA-N 440.367 2.463 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@](C)(O)c1ccco1 1690104523 YWRBTPUVJPRLEB-XXBNENTESA-N 438.484 2.377 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2cnc3ccccc32)CC1 1690364317 NWEXJCIFAJDJIG-KRWDZBQOSA-N 443.577 2.485 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1690377893 UTQIBOGPQJUQQD-UHFFFAOYSA-N 426.540 2.329 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690394813 NGZUDTNEDATHFZ-IBGZPJMESA-N 430.597 2.417 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690663629 CEIDOPXVDIGBJS-JOCHJYFZSA-N 425.464 2.386 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccccc2)C1 1690710523 SGYQTMBESOJAEY-XXBNENTESA-N 425.533 2.090 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1692571663 GDGSYLUESRLCMO-IBGZPJMESA-N 446.577 2.356 30 10 IEEE Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1692914446 ASRKYYYOKLWGFH-KBXCAEBGSA-N 437.595 2.026 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1695499020 GWLBMRDOQZUHPV-SBUREZEXSA-N 438.532 2.069 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCOCCS(C)(=O)=O 1696689648 VTAZVDIVHTZRPV-UHFFFAOYSA-N 433.578 2.436 30 10 IEEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697777473 CJYJNAPDAXCMFZ-GOSISDBHSA-N 436.495 2.308 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)CCO1 1698490707 GDKVYLHUDFBJME-SJORKVTESA-N 446.964 2.486 30 10 IEEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705508672 QWGVKEFZKWKCQP-QGZVFWFLSA-N 434.566 2.235 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OCC(F)(F)F)c1 1705559370 ZDIZBPMCFZPJRG-RDJZCZTQSA-N 439.438 2.456 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705664027 VHLFWFOWTQXQLU-QUCCMNQESA-N 439.585 2.153 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(N2CCCC2)CCOCC1 1705667453 LWVYGBSPFTUHGB-JOCHJYFZSA-N 428.581 2.053 30 10 IEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1705683407 HCBSVJUXICZHHM-GFCCVEGCSA-N 434.294 2.249 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CCN(C)C)CC2)C1 1705924312 BWUAVOIAELZJRG-YADHBBJMSA-N 446.640 2.227 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1706068498 LQONFNPXFDPGNM-FUHWJXTLSA-N 447.561 2.140 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1706314729 IWERTHVWHRBCNE-JOCHJYFZSA-N 425.512 2.217 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1707803023 FBEIYMGKIISJFT-RTWAWAEBSA-N 431.516 2.159 30 10 IEEE CC/C=C/Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1709381728 FETXNZRSALECNE-APHBUQMISA-N 429.550 2.242 30 10 IEEE CCCOc1ncccc1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709869532 BHOKZZXHLJGEIP-MRXNPFEDSA-N 433.520 2.195 30 10 IEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1 1711221581 CBVPHBHOGRVUFS-UHFFFAOYSA-N 439.545 2.002 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCN2C 1712565776 HJPOJSWBPRGQRF-PXNSSMCTSA-N 440.548 2.162 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cncn1 1722418006 AYTFHLJOTPVYNF-JOCHJYFZSA-N 439.495 2.001 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@H]1C 1722452340 PBWHPOYUNLZDJD-GFCCVEGCSA-N 437.367 2.069 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1c1nncn1C 1722453184 PATAWZMFUHQBBY-INIZCTEOSA-N 430.582 2.033 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722494198 BQHDQDJOKQAOIF-DFQSSKMNSA-N 445.589 2.396 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722591428 MZFGRZUOKNXOOT-ROUUACIJSA-N 439.626 2.492 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1722630071 UOVIQGBFZFJODF-HXUWFJFHSA-N 441.532 2.442 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1723771826 IEHIHBLAKXSZAE-HNNXBMFYSA-N 430.534 2.226 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CCOCCS(C)(=O)=O 1723772229 IEWIYEFYRXEQIG-CQSZACIVSA-N 425.942 2.398 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1nc(C(F)(F)F)cs1 1726403349 GUEPEORTNFBTIP-NSHDSACASA-N 449.466 2.487 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC(C)(C)O1 1726670811 HBTJKCIRQAXCRG-HNNXBMFYSA-N 429.546 2.398 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1728328449 YBHWZVFYRPJASP-XYJFISCASA-N 433.509 2.273 30 10 IEEE CN(CCN1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1729544660 FRWBUHSXZHQQNU-UHFFFAOYSA-N 442.470 2.428 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1729717766 HBRWJKGFFITSJN-UHFFFAOYSA-N 435.454 2.027 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCCC(=O)NC2CC2)c1 1731178645 DRJWRGIYRNCKOP-UHFFFAOYSA-N 449.559 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1740546176 GNLJEBMGUMBNRU-INIZCTEOSA-N 430.516 2.476 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1740563509 SXTXQXSKZPSCSZ-XKRTVRMBSA-N 435.594 2.418 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740590282 KPQWHAGDDNEFBU-QZTJIDSGSA-N 427.553 2.414 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740599932 GHBILZIUHYDRJJ-HSZRJFAPSA-N 435.532 2.245 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(=O)(=O)CC 1740666493 RJWVKORCIQMMOI-UHFFFAOYSA-N 426.546 2.282 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2cccc(C)c2)CC1 1740695934 HQNQQJVRHFHQBX-CTNGQTDRSA-N 441.601 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(C)C)CC2)CC1 1740709346 FOKMCKQMMFTWMN-PMACEKPBSA-N 443.592 2.404 30 10 IEEE C=CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740882007 XELBMJVZIHCSIB-PXNSSMCTSA-N 426.583 2.298 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)C(=O)C1 1740970675 PFKBOOZWWPHUTI-HXUWFJFHSA-N 441.532 2.038 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCOC1 1741798688 DESDZFOWQSXQBB-JKSUJKDBSA-N 431.566 2.403 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2CCOCCCO)cc1C 1742248928 KHRSFMLRNIINOR-UHFFFAOYSA-N 426.521 2.286 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1744096259 BWFNWKZGFFIHOE-VGOFRKELSA-N 444.536 2.043 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCC1 1748914896 LDKFIARWMJIVRB-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCOC2)CC1 1749000026 KIVRHTPAHBUOOB-FQEVSTJZSA-N 439.560 2.438 30 10 IEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749022750 LXYDDRJWCYZFLE-QZTJIDSGSA-N 438.594 2.143 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749097527 CICZGIOMHSWQLT-HNNXBMFYSA-N 439.402 2.491 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1749364850 XGMFWZHKQAARHX-UHFFFAOYSA-N 442.545 2.431 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1749493401 DKEVZFHRQQACEQ-YWZLYKJASA-N 439.582 2.077 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC2(C)C)nnc1[C@]1(OC(C)C)CCOC1 1749739496 DFJUEWWCVSFXEO-FQEVSTJZSA-N 426.583 2.298 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760138359 WXHWFOFOEVBKQO-RTWAWAEBSA-N 442.608 2.109 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760157606 VITRSPWAAHSZPS-QFIPXVFZSA-N 443.573 2.457 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCCN(C)C)c1 1760170869 COKLZABETPBHKR-UHFFFAOYSA-N 436.516 2.064 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1760188383 KKXCKLWTRAXUOU-GJZGRUSLSA-N 430.559 2.160 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760201157 JEIZODVKKNGRFD-LJQANCHMSA-N 429.528 2.025 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)c2ccccn2)CC1 1760251859 JQMRMZQBEZSKML-UHFFFAOYSA-N 437.592 2.325 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(CO)c2)CC1 1760272075 XMSVFIYYRLUSKF-UHFFFAOYSA-N 449.580 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@H]1C 1760315275 CDVVVXVCCFZOKQ-LFGUQSLTSA-N 435.569 2.040 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760336275 WTVKWNYYQWSJRZ-PKOBYXMFSA-N 439.564 2.411 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ncc(Cl)n1C 1760556077 UKFFWCMFUZHOJH-CQSZACIVSA-N 442.973 2.144 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1761151107 XYECQFRDTIDTAR-BGYRXZFFSA-N 427.505 2.353 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC(F)(F)C2)CCOC1 1761291665 MUCLERNCTHVXMA-GPMSIDNRSA-N 425.480 2.483 30 10 IEEE CCN1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1767117381 GJYBFABKLLLKTR-MLSMKVKPSA-N 449.559 2.310 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1770017265 NRRJHVRVKSOLQS-VQIMIIECSA-N 439.582 2.099 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC2(F)F)C1 1770726873 AXMNBPVTYNCSLF-CKEIUWERSA-N 431.484 2.448 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1772564770 LFLRQPMOMLGUCB-LJQANCHMSA-N 426.546 2.096 30 10 IEEE Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)cn4)CC3)nn2)ccc1F 1851599573 LPEBOCZIENURJL-UHFFFAOYSA-N 433.447 2.016 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCN(Cc4nncn4C4CCCCC4)CC3)cnc21 1851684001 ZIKWPDMOLNEOPC-UHFFFAOYSA-N 432.532 2.500 30 10 IEEE O=C1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1cccc(F)c1 1852157414 KBWSRVJJVPMCLJ-LBPRGKRZSA-N 435.399 2.045 30 10 IEEE Cc1nn2c(C)c(C(=O)OCCN3CCCN(C(=O)OC(C)(C)C)CC3)cnc2c1C#N 1852388015 IVZVOEJTTPJRMC-UHFFFAOYSA-N 442.520 2.317 30 10 IEEE CN1CCN(c2cc(Br)nc3c2N(C(=O)c2ccc(C#N)nc2)CCC3)CC1 1852774782 VFPBDGBGCDEGTP-UHFFFAOYSA-N 441.333 2.456 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1853178696 FAWHZYOGNRBFOF-CHWSQXEVSA-N 441.875 2.403 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@H](N(C(C)C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1854108786 NXDJTMVYSLGILM-UXHICEINSA-N 431.558 2.286 30 10 IEEE Cc1nc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4F)C3)CC2=O)cs1 1854197080 YIIJDNRYMKKZBZ-QGZVFWFLSA-N 427.505 2.021 30 10 IEEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1nccc(Cl)c1F 1855959296 JSGGISRXSXDCEQ-UHFFFAOYSA-N 436.852 2.138 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1(C)C 1856054186 IRGORMVFXMLFDW-SFHVURJKSA-N 437.537 2.004 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nsc3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857074036 ACDJGQWTLVEWIN-NVXWUHKLSA-N 426.542 2.394 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 1862605730 AYGSUSJPZAJMEN-FQEVSTJZSA-N 440.427 2.311 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862683032 NMVILLHFUYTHHO-SFHVURJKSA-N 443.387 2.154 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864018217 GAQNLTXTTUUTDU-SFHVURJKSA-N 433.468 2.238 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1870143625 UDGPBHRWQCKNHT-LJQANCHMSA-N 444.451 2.407 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CSc1nnnn1C 1870204696 GSCSDINSUIEEBU-UHFFFAOYSA-N 426.502 2.176 30 10 IEEE CCOc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 1873528918 KGHGISDDNLOWJT-QOJWJBQSSA-N 440.909 2.110 30 10 IEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873561592 RHYZXKWSXBZVJB-UHFFFAOYSA-N 445.571 2.332 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874338400 VHPQZXBEKPBHHO-UMXKZIAQSA-N 446.489 2.058 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874349888 JQCBFUAALQBOKL-SRZZPIQSSA-N 426.458 2.245 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCOc3ccc(OC)cc3)CC2)CC1 1890347472 HFJBLOIWRQGMSC-UHFFFAOYSA-N 443.588 2.113 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 1982282379 WUKVPDARRBPADP-SAHAZLINSA-N 431.374 2.237 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1 2009848551 CJYVOSNGRNBMBE-SFHVURJKSA-N 429.517 2.139 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2011816462 VMNOWLZAOBETKT-ZMOMAAQPSA-N 441.525 2.330 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 2058790030 LAAFISZDLHQNFS-VQVYPDHKSA-N 438.467 2.169 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(CCC#N)CC2)CCN(Cc2ccccc2)C1 2060823810 NQZPDIJVYOZQJQ-XMMPIXPASA-N 441.576 2.214 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@@H]2C1 2085659845 NKJFLBKYAMZZLM-SCAQPMJSSA-N 429.326 2.432 30 10 IEEE C#CCn1ncc(N[C@]2(COC)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162308130 CVEHJSLBGXEYBZ-GOSISDBHSA-N 441.326 2.077 30 10 IEEE Cn1cc([C@@H](O)C(=O)C#Cc2ccccc2Br)c(I)n1 2235731274 QABIXBUCEDLLPM-CYBMUJFWSA-N 445.054 2.441 30 10 IEEE C[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243412329 KULCIEVNTHLMMH-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)s2)OC1(C)C 2247927331 HEFKYEFINSWAPA-QGZVFWFLSA-N 432.273 2.330 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)C1 2249492109 ZRZNNUGRQXHIAE-SHYRYGCCSA-N 431.455 2.353 30 10 IEEE C[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)CN(C)C(=O)OC(C)(C)C 2255650678 DMHVLNIGZUOCMR-CQSZACIVSA-N 434.346 2.009 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705705 ZCDANHHNXHPSCW-FPTDNZKUSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255877759 MQHKCXNUGQVVAU-HUUCEWRRSA-N 431.342 2.271 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2256676437 OYNKSZJCVCDCIO-DRCDNIGYSA-N 436.358 2.489 30 10 IEEE CCn1cc(C(=O)N(CCC(=O)O)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2256938532 VMLMMEPLOSJYRB-UHFFFAOYSA-N 427.310 2.319 30 10 IEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)cc2C1 2266061680 PXVSPSLNNLFKOG-UHFFFAOYSA-N 441.341 2.494 30 10 IEEE C[C@@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267186315 HYHDMIATPOTTAA-BZPMIXESSA-N 444.259 2.496 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267268086 POSPUBSYCWUFAQ-GOEBONIOSA-N 446.357 2.151 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267273422 MWTDUHVMQMDPTD-OLZOCXBDSA-N 441.259 2.052 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 2267536103 ADIHATULQBBUNE-GOEBONIOSA-N 448.373 2.187 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871743 DPGJNZZNDMTXME-HKUYNNGSSA-N 436.365 2.416 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271394750 KPCHBZDCBWFXDF-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2283072714 SRPNBLVOXIYYMP-CLOONOSVSA-N 448.376 2.418 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)c(C)c1 2296110314 MRJQOCWLROBFSI-NRFANRHFSA-N 437.496 2.153 30 10 IEEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)s1 2296926604 WVCCTONVCHQCGG-SFHVURJKSA-N 442.541 2.299 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c1C 2297469729 BKIKDJROLDTUGR-LJQANCHMSA-N 440.500 2.187 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCN(C)Cc2ccccc2)n1C 2315588335 BAVHMVVINJGQRU-UHFFFAOYSA-N 426.370 2.280 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2319268630 WYOPCLSIXSSSRF-OAHLLOKOSA-N 427.310 2.143 30 10 IEEE Cc1nc(N(C)C)sc1C=Nn1c(S)nnc(Cc2ccccc2[N+](=O)[O-])c1=O 2321660704 GMCWZKZVPCXTOH-UHFFFAOYSA-N 431.503 2.139 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2336903355 PJDSSJUXEDDSQG-CQSZACIVSA-N 448.373 2.445 30 10 IEEE CO[C@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)COCc1ccccc1 2337195244 WDPAMIXDXJSARF-HSZRJFAPSA-N 443.353 2.071 30 10 IEEE C[C@]1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1CC2=NO 2381957145 LJSJLUZTNPIHOJ-WIEQDCTASA-N 433.530 2.391 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1 20527491 VYLISGBLUQTSJU-GZIVZEMBSA-N 449.443 2.161 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)Nc1cccc([N+](=O)[O-])c1 20915320 KQXWAZNWKFOWPM-RGVLZGJSSA-N 442.461 2.173 30 10 IEEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1OC 23890110 PQWACKURJAIALB-HXZRUIPCSA-N 429.473 2.264 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc([N+](=O)[O-])cc3)n2)s1 58993602 MRZLJMRVHJZIQD-FRKPEAEDSA-N 433.479 2.304 30 10 IEEE O=C(COc1ccc(Br)cc1Br)N[C@@H](CCS)C(=O)O 312165206 BGKNQDPFUGSINA-VIFPVBQESA-N 427.114 2.480 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc(-c3ccccc3F)no2)CC1 444576991 WNAXRDTYGQOQCO-UHFFFAOYSA-N 427.461 2.254 30 10 IEEE C=C(C)Cn1c(CC2CC2)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 460788899 XBLNYQTWKHEKJF-UHFFFAOYSA-N 430.578 2.041 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCS(=O)(=O)C(C)(C)C2)cc1 464863364 RCHXYGXDJHQRAF-UHFFFAOYSA-N 444.557 2.422 30 10 IEEE CCOC(=O)c1cnc(N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)s1 466106783 KGIMEELCIFMZHX-UHFFFAOYSA-N 429.502 2.102 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 478843748 IWWZPHWOICHKKB-KRWDZBQOSA-N 447.541 2.331 30 10 IEEE CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)nc1 481054822 HUVODDNMCHSCBP-UHFFFAOYSA-N 446.504 2.311 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CCN(C)CC1 488495529 QTDLMHMEVLULGA-GCJKJVERSA-N 432.524 2.448 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCSC3)C2=O)cc1 504691948 ZADVFFBKFSBZIV-GUDVDZBRSA-N 442.541 2.276 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2)c1=O 522109935 IGVLTQYZGXNNJX-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(C#N)c(SC)nc1O 535316611 MJHFZRGVDZIOLC-UHFFFAOYSA-N 428.470 2.253 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](c3nncn3C3CC3)C2)CC1 539452155 RPXDWLZAKWZVGF-HKUYNNGSSA-N 439.589 2.263 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)CC2)c1 560608080 DQPFIINMFQGAQW-FCHUYYIVSA-N 432.499 2.444 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)c3cccc(OC)c3)cc21 586362900 XLXLPJLCUSYSSC-SSEXGKCCSA-N 427.478 2.421 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(F)c1 586862299 RFMMWKBPFQPVQY-UHFFFAOYSA-N 425.851 2.187 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 608868421 SBQIIPSKGXLQMD-UHFFFAOYSA-N 441.557 2.191 30 10 IEEE COC(=O)C(C)(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 610825142 ZTRCCBNLEUHRIT-HNAYVOBHSA-N 443.525 2.282 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670201252 SGAKMFLCNYXITL-HXUWFJFHSA-N 449.559 2.280 30 10 IEEE COc1ccc(COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 746964073 WARMPDHAMAFXQC-UHFFFAOYSA-N 444.509 2.264 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 749798126 NNTWSVIDAHXKNW-RTBURBONSA-N 432.590 2.419 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(C[C@H]3CCOC3)c2=O)cn1 749870829 VVUXLJCYRIRKEY-MRXNPFEDSA-N 442.585 2.061 30 10 IEEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 750961724 LTKAVWVWHUHBKD-HSZRJFAPSA-N 431.452 2.089 30 10 IEEE Cc1nc(=NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)n(-c2ccc(C#N)cc2)[nH]1 751595609 DSJZARVOHUZEEQ-UHFFFAOYSA-N 444.904 2.025 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC)[C@H]1CCS(=O)(=O)C1 774036650 DQTDORMUTWBRHV-SFHVURJKSA-N 447.557 2.366 30 10 IEEE C#CCN(C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)[C@H]1CCS(=O)(=O)C1 774248906 BYKGEBRWBTYTHN-JSGCOSHPSA-N 431.327 2.351 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134802 UHVRRILJMLVDBV-UHFFFAOYSA-N 447.564 2.412 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 785287099 HAISTUIBONEZNU-CXAGYDPISA-N 430.910 2.053 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1 787975981 XBHIZGKWBQQPAN-UHFFFAOYSA-N 437.474 2.145 30 10 IEEE C=CCN1CC[C@@H](OC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1=O 798632788 DLJCHLPSNYOAKE-SWLSCSKDSA-N 430.320 2.189 30 10 IEEE C=CCNC(=O)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 800427588 DMKJTZKXCKVWDB-QGZVFWFLSA-N 432.521 2.301 30 10 IEEE N#CCC1(Cn2c(-c3cnccn3)csc2=NCc2ccc(S(N)(=O)=O)cc2)CC1 803191870 HOGLTSXFPVTKGL-UHFFFAOYSA-N 440.554 2.449 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(C#N)ccn3)cc2F)C[C@@H](C)O1 803848859 KTDMISCDHBKUPW-GASCZTMLSA-N 426.448 2.179 30 10 IEEE CC[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC[C@H]1NC(=O)OC(C)(C)C 804158425 VCMBEWROOFSUKL-MAUKXSAKSA-N 432.496 2.465 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccc(F)cc3)c2=O)s1 917776417 UCJVKFVABSPVQT-UHFFFAOYSA-N 442.541 2.078 30 10 IEEE O=C(O)COc1cccc(C=NN=C2NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)c1 1081085423 IFMUMCVMJGQTKW-INIZCTEOSA-N 426.454 2.100 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1140627054 OFMROIAYLYWIBN-LBPRGKRZSA-N 437.345 2.071 30 10 IEEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 1141293394 SUBPCRREAUIZTB-QGZVFWFLSA-N 435.505 2.393 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)ccc1F 1152349966 FBEIQBHSTZCWSU-VOTSOKGWSA-N 427.498 2.101 30 10 IEEE Cc1nc(=NC(=O)CNC(=O)c2ccccc2C(F)(F)F)n(-c2ccc(C#N)cc2)[nH]1 1182768200 FOUZYOUEJUVPCL-UHFFFAOYSA-N 428.374 2.257 30 10 IEEE N#Cc1ccccc1NC1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 1196536281 RNHJZDQRMMZTGD-UHFFFAOYSA-N 447.948 2.374 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 1217653197 SYZKVMHKWYASAN-GFCCVEGCSA-N 428.230 2.419 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1286321722 AFIXIBZPAAFQBD-FQEVSTJZSA-N 445.589 2.359 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286325544 YZKZLRXZXOSWQL-LEWJYISDSA-N 442.608 2.109 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1286394933 QGWQHINYZYZINE-DLBZAZTESA-N 438.619 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)(F)F 1286403280 JBVWBNQKQPYEBW-UHFFFAOYSA-N 441.417 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCOC(C)(C)C1 1286403929 PBCVPLNZHAJLKM-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOC 1286458453 VABHNOJOANIJHR-SFHVURJKSA-N 434.537 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCn2cc(C)cn2)CC1 1286491312 MQTFOPAMCCMKNR-UHFFFAOYSA-N 449.534 2.179 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286508845 XYJPERVEVXLGFW-IBGZPJMESA-N 446.646 2.301 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286784100 WGZFTNOZGVPWAT-OAHLLOKOSA-N 440.939 2.098 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286788835 HOLVTKDZGBRAOL-IBGZPJMESA-N 436.491 2.363 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](CC)C1 1286791128 NLJFLBIOKKBEOY-MAUKXSAKSA-N 429.546 2.425 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC(F)(F)F 1286963113 KXIDLJZOOZDKED-ZDUSSCGKSA-N 435.414 2.443 30 10 IEEE CS(=O)(=O)c1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc([N+](=O)[O-])c1 1287731962 WUSCIQQCAKOMMG-UHFFFAOYSA-N 429.454 2.306 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1297156611 FDPUFSPJBMLTNB-PGRDOPGGSA-N 442.495 2.422 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)cc2)c1N 1299425897 DZWUARAJHXNPDC-UHFFFAOYSA-N 430.512 2.083 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1300273742 RJMGWYWGBSZDEC-SJORKVTESA-N 428.562 2.391 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300372400 GIJPBNNEEHGKSX-QGZVFWFLSA-N 425.489 2.310 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1300441412 NOUPKORJLZWINS-AZUAARDMSA-N 445.589 2.326 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300482177 DNDFUUYPEQFNEE-SJLPKXTDSA-N 433.578 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1300521333 VSESXRFGQWPDKN-HXUWFJFHSA-N 430.512 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](OC)C(F)(F)F 1300559510 RGAVJOVKMIMEEY-QFBILLFUSA-N 428.455 2.361 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1300747086 XKTLGTBZHCWNRI-KRWDZBQOSA-N 443.573 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1300778749 HGFARRNIEHVORS-RPWUZVMVSA-N 436.560 2.206 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN(C)CC(F)(F)F 1300779147 PSCBOLJEABGPKP-LJQANCHMSA-N 435.454 2.412 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301262767 ZKPBBKATVVKXBE-HXUWFJFHSA-N 429.569 2.168 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301498749 TUKBGGCBEVWZAW-UHFFFAOYSA-N 428.581 2.323 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@@H]4NC(=O)NC4=O)cc3)CC2=O)cc1Cl 1301561228 AXADUGLAWSMRAF-UGSOOPFHSA-N 437.843 2.084 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1c[nH]cc(I)c1=O 1303710896 OWMOLXBJMIHYRL-UHFFFAOYSA-N 438.225 2.140 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1306555550 IAFAMXPEUPODAH-DLBZAZTESA-N 444.511 2.277 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)c1 1307419945 ZOZKSHSMRVBWIW-UHFFFAOYSA-N 434.496 2.091 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)n(Cc2ccco2)c1C 1308140903 MWCCPGUSGPBRBW-RTWAWAEBSA-N 425.533 2.087 30 10 IEEE CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1313562081 QOLALAPVTOUMON-VZCXRCSSSA-N 432.488 2.318 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1314953537 UMIHAVMBRLTHNJ-WMZOPIPTSA-N 438.532 2.178 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](C(=O)Nc3cn[nH]c3)c3ccccc3)CC2=O)cc1 1319645770 LJKSDNQCCVYXOK-DYESRHJHSA-N 428.452 2.130 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358917219 KCXYNOGSEJXTLK-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1358920523 APMUXAZARHNKTN-FUHWJXTLSA-N 429.496 2.312 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnn(C)c1C 1359022965 SXEMOFNRIJSDKX-UHFFFAOYSA-N 430.516 2.307 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359059635 UVMRHTAVBRJJDM-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1359073484 RHUFSCOKUQFOOT-YADARESESA-N 434.544 2.442 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1359097573 QJIDXFVEAABZDS-XLIONFOSSA-N 427.553 2.012 30 10 IEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCS(=O)(=O)CC1 1359130074 XPCUYYKTMUSVOB-UHFFFAOYSA-N 427.530 2.321 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC)C1 1359298837 NBVZBZYIPVDYOO-INIZCTEOSA-N 435.532 2.121 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1359329728 SBCVOYNFCSWCDD-KBPBESRZSA-N 425.942 2.208 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1450525362 LDHGFIDFGPGTKN-AWEZNQCLSA-N 426.288 2.130 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(Cc4cncs4)CC3)ccc2c1=O 1454446460 NOPGOASGOABVCL-UHFFFAOYSA-N 427.555 2.286 30 10 IEEE Cn1cnnc1CC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1456031254 XZWMJXXCJMWPJG-UHFFFAOYSA-N 443.349 2.367 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)nn1 1461048660 ZRLHMLKBIVJMDL-AWEZNQCLSA-N 437.953 2.468 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1464488298 MWBPQDAAUSHJRQ-OAGGEKHMSA-N 431.961 2.412 30 10 IEEE CN(C)C(=O)OC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1468468842 ALXANNAXANFWQM-JXORXQGFSA-N 434.537 2.462 30 10 IEEE C[C@@H](CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1471308857 SHOGAEBQZXBYQY-HNNXBMFYSA-N 448.508 2.259 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1471398237 OXGHBXBEVQNJMC-IRXDYDNUSA-N 437.537 2.306 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)Nc1cnc(OC)c(C#N)c1)N2C(=O)OC(C)(C)C 1471782120 XKTLRVGKADRLAF-YHUYYLMFSA-N 430.461 2.087 30 10 IEEE CCCNC(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1501166916 FVAKVTZCDXKQTJ-UHFFFAOYSA-N 436.564 2.445 30 10 IEEE COC[C@H](F)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504605848 FBCBYHONXNALNS-HZPDHXFCSA-N 430.532 2.228 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1507538027 KESLLZQLIMQDML-IAGOWNOFSA-N 433.553 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C2OCCO2)c1 1507636276 ANPDSLCLCXOAFW-UHFFFAOYSA-N 435.528 2.363 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(C)C 1507652977 QNPQYRRRJYIIJS-IBGZPJMESA-N 445.564 2.474 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NC 1507764670 AJUIBOHWBNZWTQ-HSZRJFAPSA-N 433.516 2.358 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1507982172 MVOUPEXGRQOWOC-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1508014030 UUEVUFBGOZLQDR-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508080973 HLZYMODWNALCKO-MRXNPFEDSA-N 443.552 2.031 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCc3ccccc32)C1 1508109380 QYKNFQKVYOCLHG-FDDCHVKYSA-N 425.533 2.032 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2ccnc2C)C1 1508110430 SNTQZGJIEJRHGV-SFHVURJKSA-N 436.520 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1508137149 YVPQIEQSGWGSAI-UHFFFAOYSA-N 434.953 2.039 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCC(=O)N1 1508517403 VGZSUTXLIJOPDK-MRXNPFEDSA-N 425.512 2.192 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C#N)o1 1509960030 GLYZACWMNAKCSF-OAHLLOKOSA-N 430.472 2.344 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCn2ccnc21 1509967649 BGENFNUVKHGSCX-AEFFLSMTSA-N 448.531 2.203 30 10 IEEE CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1515618672 FYHCYJUVTUCGNI-XDOYNYLZSA-N 446.515 2.232 30 10 IEEE CCOCCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1516734496 PZMVLZPTOCIYII-KRWDZBQOSA-N 448.531 2.367 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1517131840 BUEZUCFLUIELNK-UHFFFAOYSA-N 449.559 2.189 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]2CCCC[C@H]21 1527872915 UDEYURDLBJVIRE-OTWHNJEPSA-N 433.530 2.072 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)[C@@H](C)COC 1531886362 AZSAFCAQGAPDFT-ORAYPTAESA-N 438.322 2.266 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539212303 ULRCGVQQRQZIJM-SFHVURJKSA-N 444.948 2.122 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539811772 GUJFTYYQIOZNQW-IBGZPJMESA-N 433.988 2.441 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1540058230 BHCNDJRPDXPYNA-OAHLLOKOSA-N 435.550 2.009 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](F)COC)C1 1540889677 RQCLOYUJQIBJDV-LSDHHAIUSA-N 428.468 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540900237 PAAQZGPOVVPHEV-AVRDEDQJSA-N 446.573 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC2(CCCCC2)C1 1540904452 NILLKVHOWOHDKR-UHFFFAOYSA-N 445.589 2.404 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1541279500 UOCOUDTVQSYCIO-GOSISDBHSA-N 446.939 2.402 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1541664388 DXBZBOXXDXXXMP-WKRVVKTRSA-N 442.589 2.473 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC1CCCCC1 1541675645 SAFZUEOUWAIXAB-IBGZPJMESA-N 443.596 2.332 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3cc(Br)cn4ncnc34)CC2)nc1 1542785543 GCMDHIQBJGKCRL-UHFFFAOYSA-N 426.278 2.157 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O 1556564524 QWVRETPGWBAOIP-MAUKXSAKSA-N 440.591 2.158 30 10 IEEE C[C@H]1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C(=O)OC(C)(C)C 1557180578 CZXXRTQWLMBXDL-UXLLHSPISA-N 449.573 2.330 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cs1)C(N)=O 1558465398 DZTUUWCASZJOGI-GOEBONIOSA-N 444.586 2.411 30 10 IEEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1565261679 VYEBKFVMMOEDCQ-JBDRJPRFSA-N 444.344 2.374 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1)C(=O)OC 1570221855 YORIAVQRIPTEFK-HNNXBMFYSA-N 437.374 2.363 30 10 IEEE CC(C)C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)N1CCOCC1 1584700058 ZTBXGUNBSCCFIJ-FQEVSTJZSA-N 428.533 2.103 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)ccc1F 1585827370 IWAVGRWEZTUSGO-UHFFFAOYSA-N 440.460 2.054 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc(CC)n1 1587932097 LRFVYLURSXNXLC-UHFFFAOYSA-N 444.586 2.332 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC(F)(F)C2)CC1 1588732598 DFMGQEFMRRCTSB-MRXNPFEDSA-N 429.475 2.116 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589028152 ZXQLQQMJFPEBAG-UHFFFAOYSA-N 444.605 2.203 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1589192510 WYAYKWAZTOIQMM-VGOFRKELSA-N 443.573 2.227 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1593758002 SGJTZCNAEGRKAQ-UHFFFAOYSA-N 444.624 2.348 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1593763221 DPRNZKFVWICHTC-UHFFFAOYSA-N 444.502 2.068 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1594624823 BUQYMFFYXZKFKV-FGZHOGPDSA-N 446.640 2.370 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1595093706 HAVUULMZSISJEU-RTBURBONSA-N 447.543 2.208 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)c1 1595390794 YMXLSAYSYMDDSJ-YVMONPNESA-N 426.444 2.410 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2C#N)CC1 1595530286 ZPJCJTRMUSGGPH-UHFFFAOYSA-N 442.527 2.149 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1595729731 OIEVTMQVYMEXHA-IBGZPJMESA-N 436.491 2.332 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1607592902 FYLNRCDATQGHQU-DENIHFKCSA-N 427.528 2.063 30 10 IEEE CC(=O)NC[C@H](CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)CC(C)C 1611230467 AWDCFZKQZLHVIX-AWEZNQCLSA-N 425.327 2.358 30 10 IEEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1618811828 DLSFYJQUSNXYAY-UHFFFAOYSA-N 432.532 2.317 30 10 IEEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1619390810 HYUCGHJYUHVWNR-VGOFRKELSA-N 428.512 2.364 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OC)c(F)c1 1620024192 FFASGTHDCYKMDK-WBVHZDCISA-N 433.484 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1626695080 OHWLVOIJMYBKKZ-GBESFXJTSA-N 444.507 2.370 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)s1 1627364859 WNEPUKKGNVNWGO-QGZVFWFLSA-N 447.582 2.176 30 10 IEEE COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)CO 1627548514 LBRBEPXGEHTFBI-BXUZGUMPSA-N 428.283 2.024 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 1627997068 BSDXQULDDTUUHA-HKUYNNGSSA-N 434.606 2.329 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)CC1 1633326984 FUUMZLUBQWEFBL-KRWDZBQOSA-N 444.532 2.349 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCc1nnc(S)o1 1634590770 FDKZCTAUIBVILP-INIZCTEOSA-N 429.502 2.423 30 10 IEEE COC(=O)C1=NOC2(CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)C1 1638448543 VBGXQOVQGHVOBS-OAHLLOKOSA-N 436.509 2.274 30 10 IEEE CN(C)c1noc(CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)n1 1639174148 XVSLRRZIUSPKFV-KRWDZBQOSA-N 426.477 2.158 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)c1 1643383917 KLHQRKJNOCKGSK-QFIPXVFZSA-N 435.542 2.304 30 10 IEEE C=CCC[C@H]1CCCN1CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1648526677 YTJURVHSCVDBNL-SFHVURJKSA-N 425.533 2.363 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCOC1 1649661788 BFWOSUIUSDPODJ-HSZRJFAPSA-N 440.548 2.307 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3cc4c(Br)ccc(Cl)c4[nH]3)C2)c(=O)nc1O 1653763323 STQGPSREXYTJJC-UHFFFAOYSA-N 448.664 2.415 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O 1660151732 JBADOCXVJUVQDF-SFHVURJKSA-N 435.565 2.264 30 10 IEEE C=CCN1CCC(NC(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1678693148 ZORIPFVJKRKVJK-QGZVFWFLSA-N 434.581 2.001 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)CC1 1682765508 LOOJVDYLJVFTAF-JXFKEZNVSA-N 428.508 2.049 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)C1 1684083674 XTECUWWSGDHWIZ-HNNXBMFYSA-N 441.395 2.256 30 10 IEEE C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1 1685451730 UNNCUAOMMKICOD-HACGYAERSA-N 426.336 2.132 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)N1CCOCC1 1689824277 LTQIYTGPZRGMAU-SJORKVTESA-N 430.578 2.009 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689996591 KJVHXMMRCCSWCO-IXDOHACOSA-N 430.530 2.073 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1690077473 PMZSEXSMTLZLEF-IBGZPJMESA-N 432.546 2.465 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCC[C@H]1C 1690104371 VCLGHWYTHKVRGP-NQIIRXRSSA-N 425.533 2.361 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2Cc2ncnn2C(C)(C)C)n1 1690107835 FBPYDSNFIGNCJJ-UHFFFAOYSA-N 439.568 2.279 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1690507130 DSNCNEFYABRPAO-VQTJNVASSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(C)C)CC1 1690669074 SRZQXBFZNYYIPC-UHFFFAOYSA-N 448.575 2.211 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(N)=O)CC1 1690683785 VLISZZJMZMSLRG-LJQANCHMSA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)F)C1 1690696487 CSWKRXDMDMDQFR-CYBMUJFWSA-N 425.436 2.416 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690733513 GTBOEYSZAOJQEA-INIZCTEOSA-N 433.582 2.486 30 10 IEEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N(CCC#N)CCC(C)C)CC1 1690869393 GCBLXVNDIAGVMI-NRFANRHFSA-N 445.612 2.102 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1692015519 XSHJKDKGXVSTEE-PWRODBHTSA-N 441.532 2.130 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(S(C)(=O)=O)CCC1 1693507749 BDPVSMXJMWAXMZ-UHFFFAOYSA-N 448.980 2.406 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1697702100 BUTWYFINVIVRDL-IRFCIJBXSA-N 441.532 2.254 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCSCCCO)c1 1698485529 GWFNNDVUVGDJEV-UXHICEINSA-N 443.573 2.317 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NC2CCCCC2)CCO1 1698493973 QVBCYEAXJCDFAG-INIZCTEOSA-N 444.486 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(CN2CCOCC2)c1 1705584772 WYLNIIUODPIUQE-UHFFFAOYSA-N 440.551 2.217 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1705630747 FETBGRLXMFKVCJ-IRXDYDNUSA-N 439.532 2.421 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CCC(C)C)CC1 1705635071 QDTKMQJKFFMOHF-RPWUZVMVSA-N 447.624 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC=CCC2)CC1 1705650965 FCKAKBRSCDKAJS-HXUWFJFHSA-N 435.576 2.462 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1705761388 LDUBQAXPDZIQAD-UHFFFAOYSA-N 437.953 2.063 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705872463 YMHXYIFHZDRINP-ROUUACIJSA-N 437.527 2.260 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1705877566 AHYRPCGMMFTKSA-PMACEKPBSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1705903452 WNFOZOKAJWJXRX-MISYRCLQSA-N 425.533 2.441 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2OC)C1 1705922532 OBZKHPRZHMZNDV-RCCFBDPRSA-N 441.532 2.487 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705943493 CGALDAZGHFHHQH-KRWDZBQOSA-N 432.594 2.130 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1)S(C)(=O)=O 1710140485 AZVGPXCYAVGTHZ-IRXDYDNUSA-N 446.577 2.102 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1711703246 KWISEKYQWRMFLP-DLBZAZTESA-N 435.431 2.115 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@@H](C)C1 1712648291 SFDOSKMRAKOKLG-MHTWAQMVSA-N 446.596 2.243 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1722350351 WOTTYOUQHFAOSD-UHFFFAOYSA-N 430.516 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCOC1 1722394568 WZIXNAISBWBUJX-GOSISDBHSA-N 440.573 2.128 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722401897 CSRMRHWDVBZITM-ULQDDVLXSA-N 425.599 2.189 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(C)c1 1722429150 OIEYCJZZPFUEOZ-RTBURBONSA-N 446.573 2.042 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NC(C)C)CC1 1722443453 JNXMDGZFMWLMNT-UHFFFAOYSA-N 442.951 2.089 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1722488679 BLVXLFVJTZBAKR-CYBMUJFWSA-N 433.310 2.337 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722652137 DEJRNJNKALSPQA-QGZVFWFLSA-N 445.589 2.314 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1722703364 ZNVGKUDHIOGSAA-QGZVFWFLSA-N 440.548 2.086 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OC)C1 1722710525 KJMIWMNVGHOXBB-AVRDEDQJSA-N 429.521 2.163 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](F)COC)C1 1722719719 YUWIGEOJSGQTBR-RBUKOAKNSA-N 445.543 2.218 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1722734399 CSOBTTJYSIAYQP-UHFFFAOYSA-N 446.577 2.343 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCC[C@@H]1OC 1729066414 DFSHZXRCBDDCLS-OALUTQOASA-N 425.537 2.223 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1729637093 FPLAJMREPGAENY-UZLBHIALSA-N 430.459 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCOC(C)(C)C1 1740560021 ZZSFXZPTGGKUNX-SFHVURJKSA-N 427.549 2.434 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740566085 NQUPAHUJQUMMSR-OAHLLOKOSA-N 446.353 2.395 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740575221 PKTUEDXVUVTWCS-UHFFFAOYSA-N 443.555 2.493 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740592762 HCWFUFRKJIDQIA-UHFFFAOYSA-N 440.567 2.412 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740623879 CFBLSGWQNXLUOT-AZUAARDMSA-N 433.622 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1(S(C)(=O)=O)CCC1 1740687226 WMAKWQNQAIDFDG-UHFFFAOYSA-N 430.574 2.231 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N(C)CC)CC1 1740699961 ALRIOQUNLRVYPI-UHFFFAOYSA-N 426.590 2.112 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)cc2F)CC1 1740709450 GQLMWJKCUJDXKY-HXUWFJFHSA-N 441.507 2.291 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740709992 OOOPWTZNZSRWGO-PNLZDCPESA-N 449.621 2.336 30 10 IEEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740859278 JITSBDLOKRUNMY-LJQANCHMSA-N 429.521 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)n(C)c2=O)C1 1740983238 DRVTVWYIUGBZKU-IBGZPJMESA-N 440.573 2.471 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1743890211 IFPRAWALEDGCJT-APWZRJJASA-N 437.548 2.084 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1748661419 GBAQSTAYJGLBLR-AWEZNQCLSA-N 430.559 2.146 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749028850 HXRPBJOWQXEBQY-AZUAARDMSA-N 441.601 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(S(=O)(=O)CC)CC1 1749139556 GSVWPMCDCCMOET-APWZRJJASA-N 426.583 2.199 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1749207123 COWQLSDMNFUGGA-DEOSSOPVSA-N 439.560 2.398 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1760153619 WYTQHKCOODYPKI-ROUUACIJSA-N 435.532 2.201 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1ccccc1F 1760247458 BZBQFDBZZROKTE-UHFFFAOYSA-N 436.491 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(O)(CC)CC)CC1 1760254663 FNKRVKUEXVDKSV-UHFFFAOYSA-N 435.370 2.342 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cncn2)CC1 1760256480 HGULHWLJNMQCFP-QGZVFWFLSA-N 440.939 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2cnn(C)c2C)CC1 1760267967 IJRIXCNCSBKODG-UHFFFAOYSA-N 435.507 2.140 30 10 IEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760278798 HKKGGLBULXYDHN-INIZCTEOSA-N 443.598 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCCN1CCCO[C@@H](C)C1 1760289675 QQQJMKGLPJZJRX-MIZPHKNDSA-N 433.597 2.495 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1760333815 JOJXZQJJTMFSLB-UHFFFAOYSA-N 429.550 2.060 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2c(F)cccc2F)CCOC1 1767481743 DLGDOBLJNLGRFU-YCRPNKLZSA-N 433.459 2.180 30 10 IEEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)(C)C)CC[C@H]21 1768992690 QOQFLRGTRHKAJQ-RBUKOAKNSA-N 449.559 2.179 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1771238649 LCBGQTQCEWWWQI-DYESRHJHSA-N 430.484 2.430 30 10 IEEE Cc1nc(C(=O)NCCN2C(=O)c3ccccc3C2=O)c(C#N)c(C)c1Br 1851754603 TXVIZFDRISYZGS-UHFFFAOYSA-N 427.258 2.359 30 10 IEEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)c1 1854020428 BOEYACDDCCYNMQ-UHFFFAOYSA-N 425.510 2.000 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)c(C)c1 1854749491 DGRMRQDUGIJLDF-UHFFFAOYSA-N 426.498 2.022 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cc(Br)ccc2Cl)CCN1S(=O)(=O)CC#N 1856093133 ZLUKXQLBMBNEMV-UHFFFAOYSA-N 448.726 2.019 30 10 IEEE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](CO)C(=O)Nc1ccccc1C#N 1867217916 YHCUBESBQZZWRE-HXUWFJFHSA-N 430.464 2.055 30 10 IEEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870617888 VOISTNILDLXPMK-UHFFFAOYSA-N 426.513 2.361 30 10 IEEE CCN(CC)c1cccc(OCC#CCNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 1891067764 ZYNDODGTMMYVLB-UHFFFAOYSA-N 441.557 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060633228 LLAIZTRXHGBRTP-QFIPXVFZSA-N 436.358 2.396 30 10 IEEE C=CCn1ncc(N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2106008172 CTUNONLDDHUNPW-DGCLKSJQSA-N 429.315 2.286 30 10 IEEE Cn1ncc(NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)c1I 2242881550 JOIBTGAJBWTAEE-UHFFFAOYSA-N 432.262 2.270 30 10 IEEE C[C@@H](CCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243373003 SVCDGBGSWPHBKY-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC1(C)OB(c2ccc(O)c(C(=O)NCCNC(=O)OCc3ccccc3)c2)OC1(C)C 2243477462 ISBYDKVFGHPKKR-UHFFFAOYSA-N 440.305 2.348 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247835804 QSJNUZCBCQPEHW-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247839943 FOLUORHVONCNIL-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255370504 VCHAXFMLNYLBHS-UHFFFAOYSA-N 433.358 2.412 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255627966 AWVVUVVQYCQVSG-NRFANRHFSA-N 434.346 2.228 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255704781 MKPAPPMCXUHCAW-RYUDHWBXSA-N 430.232 2.250 30 10 IEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255803585 QOQIGIBAWFTTFT-STQMWFEESA-N 449.382 2.380 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063396 VJLJFBVNJUUICU-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256670153 AVFBQCZDLSYHIT-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256883546 XXRRGFPZRYVHBS-WCQYABFASA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256896675 QHRIMZSAXXYXPF-UHFFFAOYSA-N 437.321 2.304 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256926661 BWGWKDOCCZVKBW-CZUORRHYSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267136929 MYNQNDDLQXLGCF-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267273661 PXADURDWLCSCSA-UHFFFAOYSA-N 448.369 2.335 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267526418 RPYLYKPMDYWBCF-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 2267539696 SHOMYFSZYVUPAZ-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H]2COC[C@@H]21 2267561000 JYYZLGVMUQTBSS-GJZGRUSLSA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267587106 SYDLIXXQLATDPE-KBAYOESNSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267594891 FWICIEPUMNCWCV-MUJYYYPQSA-N 443.353 2.224 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267809307 AMIAHHRKYXUKOO-ALXJQNPVSA-N 444.337 2.287 30 10 IEEE CC#CCN(CC(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300544703 MXUNABGJJNNDPF-QFIPXVFZSA-N 439.553 2.125 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)n1 2315391302 ZYLIXERIYPZBSZ-DLBZAZTESA-N 433.358 2.154 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)n1C 2315525107 FLVLWTMSKJJWHY-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)cc1 2328574257 JEGABISARPFQOA-UHFFFAOYSA-N 439.497 2.230 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)n(C[C@@H]2CCCO2)c1C 35343701 BZPVZDVNLLTICW-KRWDZBQOSA-N 448.527 2.463 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)NCc3ccccc3NC(=O)CC#N)cc2C1=O 219686659 QMADMRYXBUMSFV-UHFFFAOYSA-N 434.452 2.101 30 10 IEEE CCN(CC)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254405916 ZJROHENWEBCPKV-SQNIBIBYSA-N 437.587 2.313 30 10 IEEE COc1ccc(NC(=O)c2cc(C#N)c(SC)nc2O)cc1S(=O)(=O)N1CCCC1 427794804 VYWLJVORDHGHAF-UHFFFAOYSA-N 448.526 2.426 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 438600923 GZGSOLVYEOZOOF-UHFFFAOYSA-N 446.504 2.267 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@@H]1CCCO1 440381536 LYCLRINLQWVZPI-LPHOPBHVSA-N 440.565 2.353 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)nc1 446343885 QUNCPYXDSLFRPL-IDPBPBMLSA-N 428.448 2.282 30 10 IEEE COc1cc(N2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)ncn1 461349144 JJTDIDLEUIJVQL-UHFFFAOYSA-N 449.515 2.177 30 10 IEEE CCOc1ccccc1[C@@](N)(C(=O)N1CCN(c2cccc(C#N)n2)CC1)C(F)(F)F 471286536 FPRFFLBLPSLFHA-HXUWFJFHSA-N 433.434 2.417 30 10 IEEE CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 504734178 XHYIBWHFLMUJOF-UHFFFAOYSA-N 427.526 2.469 30 10 IEEE CCc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cnc2c1c(=O)n(C)c(=O)n2C 513779624 HXWKFTKZMCYBHE-HNNXBMFYSA-N 446.294 2.496 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(C)C)c2=O)cc1C 516373252 LWQOQOITCFLLFN-UHFFFAOYSA-N 441.597 2.467 30 10 IEEE Cc1ccc(-c2nnn(CC(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)n2)cc1 522208582 GATRODUJIGGOPE-SFHVURJKSA-N 433.497 2.060 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 542346813 BMVUWMDCBKETBZ-KRWDZBQOSA-N 445.516 2.492 30 10 IEEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546199085 HFMVRYZRDANFPA-HXUWFJFHSA-N 437.569 2.082 30 10 IEEE N#Cc1ncn(CCNC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)n1 561327501 UPJIYJNNJREYKL-UHFFFAOYSA-N 426.506 2.415 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C 583400932 SUSKACCELQNDJD-QFIPXVFZSA-N 433.641 2.271 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1OC 584379210 QGJTYJDGVGSLAO-PKOBYXMFSA-N 447.561 2.147 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)c(F)c1 586864189 NKRSVDDYXRNCIP-IBGZPJMESA-N 426.517 2.047 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 605354287 ITNGWVKYZSTRMY-KRWDZBQOSA-N 428.455 2.022 30 10 IEEE CC(C)Oc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)cc1 729672570 VGBWEAUDHONOKU-UHFFFAOYSA-N 427.489 2.361 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(Oc2cccc(F)c2)nc1 732457943 CTGYLVYAFTYDHN-FMQUCBEESA-N 425.420 2.339 30 10 IEEE Cc1cccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 732494827 OFAKAWFOVRCHIX-TZIWHRDSSA-N 430.464 2.118 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CCN1C1CC1 732664536 LDUDTSDUXZDJAG-QGZVFWFLSA-N 428.489 2.439 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(COCCOc3ccccc3)c2)CCN1C1CC1 732706763 ODTUMTDLKDAFOW-JOCHJYFZSA-N 448.523 2.419 30 10 IEEE C#CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 733248338 XHHJVWMAJULKRU-UHFFFAOYSA-N 448.545 2.125 30 10 IEEE CC(C)[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCc2ccccc21 741339663 ABLJTPRDVPDZAG-SADKCHQCSA-N 425.485 2.450 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCCc2c(C)noc2C)C1=O 754018136 QAEUZYROOVCFFT-GOTYSUTNSA-N 429.546 2.298 30 10 IEEE COCCOc1ccc(-n2nc(C)c(C(=O)Nc3cnn(-c4ncccc4C#N)c3)n2)cc1 763713175 LQFDAPDBHAHVDR-UHFFFAOYSA-N 444.455 2.306 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN3C(=O)OCC[C@H]3C2)CC1 764483153 DFIQNZPMNVDXPA-HNNXBMFYSA-N 425.445 2.076 30 10 IEEE C#CCN(C(=O)Nc1cc(OC)c(OC)cc1Br)[C@H]1CCS(=O)(=O)C1 774031815 XHYHWXLIRWSHGM-NSHDSACASA-N 431.308 2.121 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](O)c1ccc(C#N)cc1 775919304 ITTQGYJBYBHDFZ-UYAOXDASSA-N 444.532 2.004 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)c(Cl)c3)c2=O)c1 776756697 SDGPTSONJRBFKR-UHFFFAOYSA-N 438.896 2.300 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1 789154309 DYGUCXONCAFPJA-TZIWHRDSSA-N 443.935 2.300 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 793339220 MQOCBRVCDDLNPP-UHFFFAOYSA-N 442.428 2.393 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F 808464623 UJUITJOHZJCKJQ-UHFFFAOYSA-N 425.869 2.287 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 809909939 LNPMNLPTDFGSGT-IRXDYDNUSA-N 444.540 2.206 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 812263298 QEGPVYHRRLYBSR-RTBURBONSA-N 443.548 2.228 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813745390 IIOWQNGYGATHFA-NSISKUIASA-N 434.562 2.492 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ncc(Br)cn2)ccc1F 814350339 NFJSVZBMRLCJES-SNVBAGLBSA-N 443.298 2.334 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 815042064 KRXQJBXVLPHJIY-UHFFFAOYSA-N 430.845 2.054 30 10 IEEE O=C1C(=NNS(=O)(=O)c2ccc(F)cc2)c2ccccc2N1CCN1CCCCC1 1083853558 UZIGPROZRQOXSC-UHFFFAOYSA-N 430.505 2.341 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 1137801061 GXSYLKYYXVNBFJ-HXUWFJFHSA-N 440.544 2.339 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@]1(N2CCOCC2)CCSC1 1142212100 CTSYATZIPIICAO-GOSISDBHSA-N 440.363 2.024 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1160793689 BCVONOOITAFJGO-NRFANRHFSA-N 426.477 2.230 30 10 IEEE O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC2(C[C@@H](O)CNC2=O)C1 1177698393 BDTWATSABWDERJ-LLVKDONJSA-N 428.304 2.299 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273017 NIWVSVXXNCZAQB-NRFANRHFSA-N 448.479 2.119 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N(O)Cc1ccc(F)cc1 1184348781 UVNNQTLOECSGNA-SFHVURJKSA-N 438.477 2.273 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1198692006 PTYPSJXDJUXSCK-UHFFFAOYSA-N 425.464 2.195 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1233928562 RQGGIZCCARKUEQ-AWEZNQCLSA-N 448.372 2.438 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1286301117 IEPOGUTXVCLPFF-CQSZACIVSA-N 427.896 2.122 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1286389852 RSYSBVBFCGILBJ-FQEVSTJZSA-N 428.558 2.367 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(C)(=O)=O 1286438005 TWFQXCYTTMCOPZ-UHFFFAOYSA-N 426.546 2.201 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)CCS(C)(=O)=O 1286500783 DEINMIIJTQJJNQ-UHFFFAOYSA-N 427.983 2.231 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286503546 GYHYTAKLRHIJJZ-IBGZPJMESA-N 426.590 2.255 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286784099 WGZFTNOZGVPWAT-HNNXBMFYSA-N 440.939 2.098 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1286788190 RTEBEVNHZXMDIQ-CETKFACHSA-N 445.589 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286821637 RBWMENCMMRDTGF-QUCCMNQESA-N 448.589 2.018 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1286833965 VWONXIOURHYUBQ-UHFFFAOYSA-N 439.589 2.494 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 1286891163 FEFGAMVOLSNCAF-OALUTQOASA-N 435.576 2.463 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1286964871 FDCAKRMCFCQSNG-TZMCWYRMSA-N 437.426 2.209 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CCO1 1288351952 BTXDFFBBQHBLMC-FZYZMVIOSA-N 443.573 2.358 30 10 IEEE C=CC1(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CN(C(=O)OC(C)(C)C)C1 1290630180 DYLKASQERSOTGA-UHFFFAOYSA-N 437.562 2.203 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)s1 1296332872 DCWSPBHDANNVEZ-PXNSSMCTSA-N 438.546 2.176 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1CC 1300300203 XCGSPCUTLOBZFM-MRXNPFEDSA-N 445.531 2.354 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1300307386 FSCWJOICRFYZAQ-WBVHZDCISA-N 442.520 2.011 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCN(C(C)C)CC1 1300315326 VNQCQFXAPUNKNI-LJQANCHMSA-N 435.576 2.210 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCN1CCN(Cc2ccccc2)CC1 1300534755 DWFLWUPGPKQABK-XMMPIXPASA-N 446.599 2.410 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300676020 YKABMOCRRSQMRR-LJQANCHMSA-N 446.573 2.076 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1300692572 JMRPRYLMDSQSRN-HXUWFJFHSA-N 444.530 2.056 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300719606 IMUSEAKGFGTXOD-LJQANCHMSA-N 425.581 2.215 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)CC 1300800587 XYTXZNKPNFHBTR-JOCHJYFZSA-N 440.573 2.368 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1300973509 YNXIRHMEPQGLID-ZDUSSCGKSA-N 439.504 2.260 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1301218633 FUEGVMMDGPAZKF-AWEZNQCLSA-N 444.517 2.127 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301249878 ZIRMCGHZRKGYSP-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1301253042 XIBHVDUAUIUJNW-RTBURBONSA-N 438.532 2.260 30 10 IEEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1301259418 JAMMCEQVPBCETN-UHFFFAOYSA-N 429.546 2.178 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)c2cccc(O)c2)nnc1[C@@]1(OCC)CCOC1 1301520299 WHYSPDAFLSHCCV-KSFYIVLOSA-N 429.521 2.135 30 10 IEEE COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1301863040 FBKOIOQEVUHFHZ-JBYIUTFZSA-N 430.553 2.145 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCOCC1 1302643464 BRPWFHGYVSSTKF-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1304502177 DWQADNONGYQRQB-ZWKOTPCHSA-N 446.577 2.043 30 10 IEEE Cc1nccn1CCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1304707753 PDBJTZIQRMSMKL-RTWAWAEBSA-N 431.516 2.356 30 10 IEEE CNC(=O)c1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)c1 1314983687 REXVVNQSOALTCI-KRWDZBQOSA-N 437.891 2.130 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCC2)CCO1 1316540781 ZWOCPMVKUGMQDM-IBGZPJMESA-N 425.493 2.458 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2=O)cc1 1334175828 YINBGQSRILQVAY-AEFFLSMTSA-N 442.541 2.324 30 10 IEEE N#Cc1cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cnc1C(F)(F)F 1349106238 BQPYFTIWJCGZAI-KRWDZBQOSA-N 446.385 2.239 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1350522047 IPMWOVFNGLRPFE-UHFFFAOYSA-N 430.486 2.074 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1358990626 VEBAEDMOOHGMOP-XTQSDGFTSA-N 428.496 2.243 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1359039011 STEZUHDKMVGLRC-HKBQPEDESA-N 447.580 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](C)OC)CC1 1359047139 SMLZUXUGGKLZDG-GOSISDBHSA-N 434.544 2.282 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359143176 VSHKBFKYTLVDKD-GFCCVEGCSA-N 440.913 2.112 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359289368 ZNIDPKDFFZPBST-UHFFFAOYSA-N 428.512 2.056 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359301411 YKZHPTXJAXDJLW-HNNXBMFYSA-N 431.541 2.253 30 10 IEEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1360812437 KBDBNXZIALOQSR-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@H](C)CC)c1cc[nH]n1 1441696646 SFULLOUEWWGIEW-FZKQIMNGSA-N 426.477 2.473 30 10 IEEE Cc1occc1-c1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n(CCO)n1 1443210595 XUTJKYOTDGRAJA-UHFFFAOYSA-N 432.433 2.133 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(n4cc(C(=O)OCC)cn4)CC3)cc2C1=O 1449840141 FWJFIVRWTRJOGS-UHFFFAOYSA-N 436.468 2.319 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1462880498 LYRRMSLTLRTZES-UHFFFAOYSA-N 425.551 2.481 30 10 IEEE C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2[N+](=O)[O-])C1 1462990706 SZDOCQBURLTSRO-WLNNIECUSA-N 446.529 2.087 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)c1cccc(Br)c1 1466107481 RZUCKZNGQSVLML-OAHLLOKOSA-N 426.267 2.248 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1471933053 JGOORVJHACRFOI-NTKDMRAZSA-N 448.479 2.358 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1c(C)nn(CCC#N)c1C 1472312179 XHTGBUQLEUBNCR-SFHVURJKSA-N 433.553 2.441 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)nc1 1472622808 PETZUYVYOBLARK-QGZVFWFLSA-N 436.472 2.415 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)c1 1492543876 AILCPPQDIVROIR-IBGZPJMESA-N 441.513 2.302 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)cs1 1492675364 VUEUEBMVZUIAMD-QRWLVFNGSA-N 433.557 2.044 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1503942388 DPZSDMAWQFMJGL-INIZCTEOSA-N 438.532 2.259 30 10 IEEE COc1ccc(COCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1504287025 VTCHJUAPHWSRLC-WOJBJXKFSA-N 427.505 2.474 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CC 1507530324 XKWTYDHQQBQESD-IAGOWNOFSA-N 429.594 2.180 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1507577339 RDKVHXSDJWUBBZ-HSZRJFAPSA-N 439.516 2.243 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1507578762 AKQIVUFEZNKMON-CQSZACIVSA-N 433.354 2.422 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1507669829 SMBGPXCPBVXHAY-KRWDZBQOSA-N 432.496 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1nc2c(s1)CCCC2 1507713269 CWJIPBAYVACCMV-UHFFFAOYSA-N 442.589 2.065 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1507723795 UYUYEVMPXOHCKD-NQIIRXRSSA-N 436.560 2.187 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1507744887 PZGXKCQSEUJODZ-HNNXBMFYSA-N 430.530 2.328 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1507807772 WGLYKSVDXWFWFU-MDZRGWNJSA-N 430.578 2.317 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507929946 WMKPRKZRDVSCOO-UHFFFAOYSA-N 430.557 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1508145699 OSPJWAIZCJNQSY-UHFFFAOYSA-N 445.589 2.102 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCC[C@@H]1C 1509215019 DCBNNWBCJUXLAR-RBUKOAKNSA-N 437.596 2.338 30 10 IEEE CCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1516734014 SXGMOGYJYGQSHX-AWEZNQCLSA-N 436.310 2.481 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539220376 RKUXXRDIUFHQST-RTBURBONSA-N 449.646 2.468 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCSCCCO)CC1 1539441085 KHYRHTOXMMSTSL-UHFFFAOYSA-N 436.585 2.364 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1539819728 HLTCUIGRSVIKMG-HXUWFJFHSA-N 440.976 2.313 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1540170955 UBCRCNOGABXAAZ-FDDCHVKYSA-N 439.564 2.170 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](CC)C1 1540863816 GJBKXRBIYFATFR-GXTWGEPZSA-N 437.342 2.342 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CC)s2)C1 1540883015 RZUCNXWERJVVBA-LSDHHAIUSA-N 439.607 2.342 30 10 IEEE CC(C)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1541488396 OMPXUVOYNAUVFB-BSBNDGSWSA-N 436.520 2.134 30 10 IEEE CC(C)CSCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541592034 UIWDAJGCFDUMAN-UHFFFAOYSA-N 443.577 2.340 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547499676 IXUOAMSXIUMRIQ-HZPDHXFCSA-N 425.537 2.047 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCSCCCO)cc1 1555988853 QWWGZPGKXXEHHA-QGZVFWFLSA-N 428.562 2.024 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)C1 1558329645 UENKIIFTFQQFIH-INIZCTEOSA-N 443.525 2.029 30 10 IEEE C=CCCC[C@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1558383599 OQBSUZLJURHCNR-INIZCTEOSA-N 435.525 2.478 30 10 IEEE N#Cc1csc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)n1 1558599274 MSNKNLWCHRBPAI-UHFFFAOYSA-N 428.495 2.129 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)c1 1558621989 PSEJNGIMMWNUCS-AWEZNQCLSA-N 435.527 2.024 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(C)(C)C 1560156750 XISIAKHXTIEAPS-UHFFFAOYSA-N 427.570 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 1565603778 GOPPHXZCCQLSDD-IBGZPJMESA-N 443.548 2.017 30 10 IEEE N#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(C(F)(F)F)c1 1565630893 QPCHDYMYURLURT-QGZVFWFLSA-N 426.416 2.395 30 10 IEEE C#CCOc1cccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1565728210 GPKYDZLXNGMTEP-LZQZEXGQSA-N 448.541 2.307 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](O)COc3ccccc3)C2)C1 1566332918 SUVNIMQGQZUMLR-SRXHXZOOSA-N 429.517 2.329 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 1583079894 OLHMHSPVWMRBOL-KRWDZBQOSA-N 445.520 2.470 30 10 IEEE C#C[C@H](NC(=O)c1cc(OC)c(OC)cc1I)C1CCOCC1 1587810475 RWVAGDPJPIITAG-AWEZNQCLSA-N 429.254 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588040918 RWUUCRRELWOBGU-QUCCMNQESA-N 446.573 2.251 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)NC 1588194637 YPBGIAZMNSHVDJ-MRXNPFEDSA-N 445.614 2.144 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCC(C)C)CC1 1588806176 IQWCLRNHZGJBLI-UHFFFAOYSA-N 449.559 2.412 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cccc(C)c2)CC1 1588857142 JGSWRGPDSIONLZ-UHFFFAOYSA-N 448.596 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCO[C@H]2CCOC2)CC1 1588908248 MIMRSUSQFQMSJU-NRFANRHFSA-N 437.544 2.107 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1589043130 VFRPIINAAZSBEN-UHFFFAOYSA-N 439.520 2.037 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1COCCO1 1589171526 IRUVIDBINUVXLP-UZUQRXQVSA-N 442.516 2.378 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1594803604 ZEZRYZKOGRRTDU-FPOVZHCZSA-N 426.565 2.480 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)COC(=O)N2 1594824748 PQTYTAYXQZTMKM-UHFFFAOYSA-N 432.550 2.305 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCNC(=O)[C@H]2CC)cc1 1595614374 SPGCMPKJNBAHCU-UYAOXDASSA-N 425.533 2.500 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](C(C)(C)O)C3)nnc12 1611640916 YBAZDKALBMADDZ-HNNXBMFYSA-N 441.557 2.332 30 10 IEEE CN(c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1617763979 NWYYGJUHCSOUSC-VXPUYCOJSA-N 428.443 2.272 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619614287 GYQHILUXPLPCNJ-HXUWFJFHSA-N 446.490 2.395 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cccc(C)c1 1619980472 KBOZPGNRIPOFIU-GOSISDBHSA-N 440.548 2.481 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC2)C1 1620172331 AKICYJLGFPDBFC-GOSISDBHSA-N 428.562 2.382 30 10 IEEE CN(CCC(=O)OC(C)(C)C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1623030917 MCSFWRPRMNBABO-UHFFFAOYSA-N 437.562 2.476 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H]1n1cccn1 1624308033 OGDRICVLCFGQNK-RCCFBDPRSA-N 434.493 2.247 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)n1 1626594642 JVTBPBSKNBRHND-PMERELPUSA-N 430.534 2.285 30 10 IEEE C[S@@](=O)C1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CCN(C(=O)OC(C)(C)C)CC1 1630761946 GWGUEOGKBVUCMY-WJOKGBTCSA-N 446.573 2.329 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)c1 1635453274 MVAMHNDXZSCLMZ-CQSZACIVSA-N 426.498 2.062 30 10 IEEE COCCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C(C)(C)C1 1640659886 KANCXYOTQIBFRR-UHFFFAOYSA-N 435.366 2.326 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)OC)cc32)cc1 1641069784 GGLLSJGPADFIBJ-IBGZPJMESA-N 440.521 2.235 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2 1643955762 MCBMZMAFFSVUCT-ZHRRBRCNSA-N 430.553 2.112 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](CO)c2ccc(Cl)cc2)s1 1644028580 TVIDVNWWBCEICA-AWEZNQCLSA-N 428.963 2.301 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1644938550 HDMGNCUFEAIHBJ-NVXWUHKLSA-N 437.562 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 1648311443 IKFGLFVIIHSPQT-AUSIDOKSSA-N 431.533 2.204 30 10 IEEE Cc1cc2nc(C)c(CCC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c(C)n2n1 1649035907 PVOPZHWKUDGCQQ-UHFFFAOYSA-N 435.484 2.491 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(Cc3ccno3)CC2)C1 1650857604 FGCZTQOUDLKCAV-UHFFFAOYSA-N 430.306 2.089 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1655358696 LTUJBYNLKSGXGE-MRXNPFEDSA-N 433.571 2.050 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)NCC#C[C@@H]3CCCCO3)c3nccn32)C1 1676428407 CMPMVZKUWVWZEN-DLBZAZTESA-N 429.521 2.146 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCn3ncc(I)c3C2)cc1F 1682020845 STPHGRUDTZNJNZ-UHFFFAOYSA-N 425.205 2.224 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1686112588 NOGVSBLKUMSTSD-ZDUSSCGKSA-N 428.327 2.204 30 10 IEEE C=CCn1cc(CNC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)nn1 1686847906 IUJYEWJDPFXJRB-HOCLYGCPSA-N 428.459 2.329 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1689826274 LBDOJJMHFNAWBF-GJZGRUSLSA-N 435.454 2.268 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncn(C)n1 1690106267 PGWKVALZDGDRBC-UHFFFAOYSA-N 437.548 2.417 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690243227 ILQHQCZPUJVPPV-WDSOQIARSA-N 448.593 2.063 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690315692 JUYVXXUCVVCPHP-LJQANCHMSA-N 428.512 2.157 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1690470425 BDJJKVLUVUJKDF-OKZBNKHCSA-N 425.599 2.498 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1conc1COC 1690559596 HVULBWZGXZHKQZ-IBGZPJMESA-N 447.499 2.476 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(C)C)CC1 1690676148 REXXNGVFIRDJFU-UHFFFAOYSA-N 430.528 2.265 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(Br)n1 1692526619 XVMCXENVAJSORE-KRWDZBQOSA-N 436.289 2.064 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)Nc2ccc(F)cc2)n1 1693425402 AVUIZHYQHYKPAI-OAQYLSRUSA-N 440.458 2.360 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1698058282 DJGZUFBTCAIIHV-RBUKOAKNSA-N 431.585 2.001 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1705579611 YQOOPDMPXZSHMP-IBGZPJMESA-N 447.461 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1cccs1 1705585284 PRNVQKJERODJTE-OAQYLSRUSA-N 439.566 2.312 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705635558 BVEOEMSPSKDMDT-HXUWFJFHSA-N 441.601 2.088 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C)C1CC1 1705853413 AJMBHDFFVSHNTD-MRXNPFEDSA-N 447.561 2.057 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C(=O)OC(C)(C)C)cs1 1707761194 JOTGHBQLJAQQNS-MRXNPFEDSA-N 447.565 2.230 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1710238366 FSRQDJCLCQWUSZ-APWZRJJASA-N 430.578 2.170 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2nccc(C(F)F)n2)CCOC1 1710447427 GIRNATVDLZBUAB-HXUWFJFHSA-N 433.463 2.446 30 10 IEEE N#CCC1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1712885206 COBHJTLRFDPOQA-SFHVURJKSA-N 446.506 2.221 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722361457 NJHPIOITQGORHL-JLAWEPINSA-N 443.573 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)CCC 1722371009 QIMFRMLRFWYHKQ-JOCHJYFZSA-N 427.936 2.485 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)CC1 1722509115 LSHXQRHINWYSCS-IFMALSPDSA-N 426.565 2.014 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722564484 QTYLERNYEMSKOK-REWPJTCUSA-N 433.597 2.443 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722700896 YECNYZZSEBMCQP-RISCZKNCSA-N 444.483 2.092 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1C(C)(C)C 1722703711 FOTAJSAHHBVRAA-UHFFFAOYSA-N 428.537 2.050 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCO[C@H](C)C1 1722730361 PPSVMMUQEJBJJU-GOSISDBHSA-N 434.562 2.382 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)CC[C@H]1C 1722737077 SIEVGFQWERZQGR-MHORFTMASA-N 426.583 2.228 30 10 IEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC1CC1 1722911991 CDOOQLVTZRMKGC-UHFFFAOYSA-N 435.576 2.296 30 10 IEEE CC(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723417878 OJBQBAHYDIIANH-HXUWFJFHSA-N 439.564 2.438 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1n[nH]c(C)n1 1740536762 MHFQQUZMWLGBHV-CYBMUJFWSA-N 425.493 2.098 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740576580 ADMHCUJBFOJYQM-FQEVSTJZSA-N 434.544 2.340 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(CN2CCOCC2)CC1 1740578381 AKRXUOSJLWKWFE-UHFFFAOYSA-N 430.597 2.159 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1740618830 CFUVNXJLHINEQY-LJQANCHMSA-N 435.509 2.393 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC(F)(F)F)CC1 1740693388 XHUBGGNDNLZPID-IBGZPJMESA-N 429.487 2.416 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 1740714586 DBYJXRASNKJOIX-UHFFFAOYSA-N 426.590 2.255 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740719508 GNMPNWHQAQBMCT-JOCHJYFZSA-N 425.558 2.461 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740719841 MDKZTBLMOFRGBV-SFHVURJKSA-N 441.605 2.001 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1746435147 DTHYBRNHHRUZDQ-UXHICEINSA-N 429.613 2.328 30 10 IEEE CN(CCc1cccs1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1747900110 NRFKTSVRHSMQJZ-KDDVOAFDSA-N 442.545 2.396 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748757813 LJYBHHOGLHQAGX-UHFFFAOYSA-N 436.560 2.051 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748805903 YDINRNUKYSFRPQ-MSOLQXFVSA-N 433.603 2.112 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1748958602 CGWAYWNRHRKDMW-INIZCTEOSA-N 434.500 2.201 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1749015505 XPTQUCDAEZVDDR-KRWDZBQOSA-N 425.533 2.282 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(C)C)CC1 1749680874 USWQQIUNBLLOSS-UHFFFAOYSA-N 426.565 2.252 30 10 IEEE C=CCSCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1749764149 SWZUBOWFVHAINL-OAQYLSRUSA-N 438.594 2.235 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1760224337 HCNQKIHFGDLGPZ-UHFFFAOYSA-N 425.924 2.411 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)CCC)CC1 1760258044 FIUTWRKFRLISCV-QHCPKHFHSA-N 425.533 2.023 30 10 IEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 1760363650 SDOURWCJOZUMAF-NZSAHSFTSA-N 449.552 2.119 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCSCC1 1760505268 PTHYXXZHWRPPNK-FQEVSTJZSA-N 445.589 2.478 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)(C)C)C1 1760545100 NKQHYMJZUVJRTQ-OAHLLOKOSA-N 444.536 2.092 30 10 IEEE C[C@@]1(N2CCOCC2)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1761573003 COHXVSXDRZZZTA-JOCHJYFZSA-N 446.502 2.399 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1763512041 CYVPRFDWWDDAAI-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(O)CCSC1 1763758581 CKDHBQVZNHPOEZ-MRUHUIDDSA-N 442.593 2.036 30 10 IEEE CCCN1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1764480747 YBOXUSPLRWDRAR-RBUKOAKNSA-N 425.493 2.456 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1765235160 FTAZCHDFGSNVBQ-GOSISDBHSA-N 429.546 2.257 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1768750072 KEFUOIMPSOJBNP-UHFFFAOYSA-N 432.525 2.037 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](COC(C)C)C2)n1Cc1ccc(C#N)o1 1770222206 NNAKCJYKFUGXKT-VDGAXYAQSA-N 445.520 2.145 30 10 IEEE COc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1770483298 MCNJRPYFLVQCSB-GCJKJVERSA-N 427.505 2.104 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCSC2)cc1 1770737982 ASHBOBPWDZOSCZ-DLBZAZTESA-N 426.546 2.184 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)CS(=O)(=O)c2ncc(Cl)cc2Cl)CC1 1851584925 HMXLRBTUVSQZLQ-UHFFFAOYSA-N 439.324 2.383 30 10 IEEE CN(C)c1ccnc(N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2)c1C#N 1851857348 PJAHVVQXUTWKHV-UHFFFAOYSA-N 427.530 2.356 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC(N(C3CC3)S(C)(=O)=O)CC2)n1 1851996415 YSHSCGDLTCLLDP-UHFFFAOYSA-N 430.452 2.309 30 10 IEEE COc1ccc(C#CCOc2ccc(C=c3sc4n(c3=O)CCCN=4)cc2OC)cc1 1852159098 AFRVHFZXBSEILZ-UHFFFAOYSA-N 434.517 2.210 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)[C@@H]1CCCN(CC(F)F)C1 1853215088 WDQXKSNRXMAXNS-CYBMUJFWSA-N 447.939 2.310 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2c(F)cccc2Cl)C(=O)C12CCCCC2 1854401330 OLTIZBZSTDMQPG-UHFFFAOYSA-N 441.912 2.249 30 10 IEEE CCS(=O)(=O)C1CN([C@@H]2CCCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1854875082 FKGVPMMWTUQMLB-GOSISDBHSA-N 437.949 2.046 30 10 IEEE CC(C)N1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2(C)C)C1=O 1855999349 LVDAFNVSDKPBSG-GOSISDBHSA-N 430.936 2.478 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(OC)c1 1864717160 DAQPEOWNBIHZLN-IBGZPJMESA-N 433.468 2.287 30 10 IEEE C=CCc1ccccc1OC1CN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)C1 1869907169 TVRLIWRROBSCMV-UHFFFAOYSA-N 440.496 2.461 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1C[C@H]1CCCO1 1870537752 NVSHLSXXYMQTGM-OAQYLSRUSA-N 441.528 2.490 30 10 IEEE C#CCOc1cn(CCOCCO)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871007646 LVKPGRBWINORKM-UHFFFAOYSA-N 425.529 2.472 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)C1(C#N)CCOCC1 2006308398 OUFFANZFXUTTIG-UHFFFAOYSA-N 440.541 2.185 30 10 IEEE C/C1=C/CC(C)(C)/C=C/C[C@]2(C)O[C@H]3O[C@@]4(C(=O)O)O[C@@](C[C@@H]2C[C@@H]1O)(C3=O)[C@@]1(C)O[C@@H]41 2060544139 INBKHVOJSUKTRK-GSXGXAFQSA-N 448.512 2.488 30 10 IEEE Cn1nc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c(Br)c1Cl 2167049211 VRGPUSKWIMYDTP-UHFFFAOYSA-N 442.510 2.178 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2243172394 IFDLWTUZHUHCDG-MRXNPFEDSA-N 427.542 2.029 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)C1 2247556392 NSJQBPHHUNGTTG-GWMLXNDSSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2247863294 OTNMFIFBZVQIEP-UHFFFAOYSA-N 437.371 2.245 30 10 IEEE C=C(CS(=O)(=O)N[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247901359 JLPCJEHNUHTGHD-MGPUTAFESA-N 442.387 2.493 30 10 IEEE C[C@@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2248416219 OUPFXGVJJDZSTR-OLZOCXBDSA-N 437.371 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248445920 TTWYMKXWPNVLKY-OLZOCXBDSA-N 437.371 2.362 30 10 IEEE Cc1cnc(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255604231 CXWIIHJDCCFSOY-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2255674494 YWNPFJJFHBHANH-KRWDZBQOSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827676 ZRXYIGQLCJEPCR-ZIAGYGMSSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831515 XDFCXJGPTAPTEM-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267139554 IBFJNKBWJZBHNR-UKRRQHHQSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2267146968 QTWGFTGXFUMKCM-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177178 KJVXWQUNOFUXMA-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267177738 SAKNMUWKZDLPIB-SCAQPMJSSA-N 443.353 2.284 30 10 IEEE CC[C@@]1(NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267493677 LWVYBWCBOIJQFN-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267494957 IJKVUMUYCRKMNP-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE Cn1cc(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267503483 DYOPUEXHLYQVQV-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)n1 2267504223 PHWBTTKLSFPPQX-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267521166 RHNRWUBQOJLYAL-GDBMZVCRSA-N 448.373 2.426 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267528010 AKWJLBHQZVHGEV-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267547807 NPSVIRYXDAGUPE-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268709880 MPGQBDMBGYEPJH-GOSISDBHSA-N 446.353 2.104 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@](O)(CNC(=O)OC(C)(C)C)COC 2278738447 WBYRYZOZBQLINJ-VQIMIIECSA-N 427.339 2.291 30 10 IEEE Cc1cc(S(=O)(=O)N[C@@H]2CCCCC23OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2282408934 LIXYPWAXFDUFNG-CQSZACIVSA-N 443.396 2.320 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2Cl)OC1(C)C 2282495431 MHEDAWQEASIYKC-UHFFFAOYSA-N 443.758 2.167 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2334275064 WZILVTJAFNRLMO-OWQGQXMQSA-N 444.337 2.429 30 10 IEEE C[C@@H](Sc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)C(=O)NC1CC1 59815992 ZFINCLXXYVPYKB-RAKXPMKDSA-N 425.312 2.478 30 10 IEEE COc1cccc(N2C[C@@H](C(=O)NCC#CCOc3cccc(NC(C)=O)c3)CC2=O)c1 90732097 QSLIAUQNWDHVNC-SFHVURJKSA-N 435.480 2.205 30 10 IEEE COc1cc2c(cc1OC)C(N[C@@H]1CNC[C@H]1C(C)(C)O)=N/C(=C1/C=C(F)C=CC1=O)N2 198032445 IXTQNANZDPZION-GSOOIIRJSA-N 442.491 2.028 30 10 IEEE in-vitro Cc1cc(C)n(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n2N)n1 218762991 FFHKQTFGERNPLX-LLVKDONJSA-N 428.547 2.336 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NN=C2C=C([N+](=O)[O-])c3cccnc3C2=O)cc1 254594540 GTQWHLAFGRLPHL-UHFFFAOYSA-N 429.458 2.394 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1 438609763 AFLYYNYUBCSVRX-UHFFFAOYSA-N 432.484 2.456 30 10 IEEE CN(C)C(=O)c1cccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 445706141 APPLSJPCRMRQOE-UHFFFAOYSA-N 428.514 2.324 30 10 IEEE COc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1NS(=O)(=O)c1ccc(F)cc1 466949073 MMNYYLSFLIOTTN-LBPRGKRZSA-N 444.448 2.298 30 10 IEEE CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 475767305 HDSSLUQIQBAPTP-JTSKRJEESA-N 426.517 2.281 30 10 IEEE COc1cc(CC2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)cc(OC)c1 485855597 CGIAZMZXZMOHOA-UHFFFAOYSA-N 443.525 2.210 30 10 IEEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 507510515 WUVCVJXRJATJAK-RBUKOAKNSA-N 444.557 2.383 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)CCCc2ccccc2)CC1 508913561 PMNWMMHDWNASCD-HXUWFJFHSA-N 425.533 2.224 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc3c2OCO3)c1=O 515604885 QUPZTWTZHUVFCR-UHFFFAOYSA-N 430.485 2.147 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CC(=O)N2C)cc1 522518449 RYVSRKABLPEMSL-JCTONOIOSA-N 432.524 2.451 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3COCCO3)n2Cc2cccs2)CC1 549563703 CLAUGHGJEXKNAA-SFHVURJKSA-N 437.529 2.069 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)NCCOc3ccc(C#N)cc3)C2=O)c(OC)c1 553601330 CGVYHXVGQXFKCC-FQEVSTJZSA-N 438.484 2.055 30 10 IEEE COc1cc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 570206027 UPBQHLHLQGZOHJ-UHFFFAOYSA-N 448.476 2.049 30 10 IEEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 571098399 OAZBFTBYMMUUDK-UHFFFAOYSA-N 448.470 2.095 30 10 IEEE COc1ccccc1N1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 604512390 VWBUQSAAWDOHLY-UHFFFAOYSA-N 427.526 2.267 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1 609010047 VOEKOPNIVXZTOS-UHFFFAOYSA-N 439.522 2.223 30 10 IEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(NC(=O)C3CCCCC3)CC2)C1=O 725773275 UBVJGAZWYIWAQL-DEOSSOPVSA-N 437.544 2.444 30 10 IEEE COC[C@H](C)N=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1ccnn1C 727972557 WXWIYIRPWOVXOM-UONOGXRCSA-N 440.529 2.487 30 10 IEEE CCO[C@@H](C)c1noc(CN2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)n1 743378245 VIKZQLONOQOYPP-INIZCTEOSA-N 436.520 2.381 30 10 IEEE CN(C)C(=O)C[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccc(Cl)cc21 746296558 GSDLJZJLQVZIDX-NOFRPNMFSA-N 430.892 2.165 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 747263129 KNSXGQCRORLICC-UITAMQMPSA-N 429.473 2.394 30 10 IEEE O=C(NCC#CC(=O)N1C[C@@H]2C(C(=O)O)[C@H]2C1)OCC1c2ccccc2-c2ccccc21 757523369 RVTRWECWECQYGT-PMACEKPBSA-N 430.460 2.318 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 758490718 CZNXKMDCYRQLFD-SZMVWBNQSA-N 427.505 2.240 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2ccccc2C(F)(F)F)n1 761958614 DYDDGLLHMBUVDE-OAHLLOKOSA-N 446.433 2.337 30 10 IEEE O=C1N=C(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)NC1=O 765593031 YBDIHXOJFUZFFS-UHFFFAOYSA-N 437.257 2.238 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccccc2OC)c2nccn2C)n1 788851885 IOVAMFNUQQWJKM-OAQYLSRUSA-N 436.516 2.206 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCS(=O)(=O)C1 788906952 QZBDBKRNSIGNMG-CABCVRRESA-N 430.357 2.404 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 788914893 HRTFNYMXKTUHLC-KRWDZBQOSA-N 425.489 2.392 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]c3ccc(Br)cc3c2=O)n1 790106069 PDMZZZKTECKLKE-UHFFFAOYSA-N 443.301 2.409 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)n(-c2ccc(F)cc2)c1C 798741248 MBOQTLLYSSQMLY-CQSZACIVSA-N 435.419 2.311 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 800778936 PXQPDDWIPLWTOW-IBGZPJMESA-N 426.521 2.243 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)c2)s1 807245115 CRIHAURMXBWDJV-GOSISDBHSA-N 438.553 2.084 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 812188111 KIBSMZWCPMUUPJ-FQEVSTJZSA-N 447.543 2.357 30 10 IEEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 812751975 QEMNGKOERDTLLE-SFHVURJKSA-N 432.473 2.146 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2)n1)Nc1ccc2c(c1)OCCO2 1084146277 GIYMOZHHAYROKQ-UHFFFAOYSA-N 426.458 2.458 30 10 IEEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc(F)cc1 1084438854 WOFDZYKGZNQETR-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1125851487 DVCVNRPAOPYQGO-PBHICJAKSA-N 434.949 2.238 30 10 IEEE N#Cc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)c(F)c1 1125966333 MNNRZIDONROTGV-UHFFFAOYSA-N 448.199 2.208 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2=O)cc1OC 1132852911 HDDJRYBLEMKHNG-RTWAWAEBSA-N 433.508 2.250 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(N4CCCCC4)n3)CC2)cc1 1136149216 BHFRTEZQPHQXFR-UHFFFAOYSA-N 445.570 2.152 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 1141804294 OZJMPMSHHVWGCB-WMZOPIPTSA-N 449.573 2.221 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc(C(F)(F)F)no3)C2)C1 1153994166 KUNFRGGIFQSHOO-VVHFOWEKSA-N 429.399 2.491 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3cccc(CC#N)c3)CS(=O)(=O)[C@H]2C1 1158295965 XQSKQMBPSDQHCF-JQHSSLGASA-N 433.530 2.361 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)c1 1213448910 ZZTRKDICSLZFFJ-NRFANRHFSA-N 443.569 2.090 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1cc(CO)nn1 1286275090 PPJDQRNYWUAIPE-CQSZACIVSA-N 431.447 2.179 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)(F)F 1286301837 IVAWNYWOHZWJCD-AWEZNQCLSA-N 436.438 2.243 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1286347769 BQCAPCASFCLOEQ-UHFFFAOYSA-N 433.516 2.360 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1286448517 WZUNMDMBBUOZEQ-QZTJIDSGSA-N 433.553 2.473 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCn2cc(C)cn2)CC1 1286484532 QEGRFRWBQALTKU-UHFFFAOYSA-N 433.560 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCCN2Cc2ccccc2)CC1 1286491407 QMRHDNCAWWOWDO-QFIPXVFZSA-N 434.588 2.471 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286710927 GEBXLCAFHSJTRN-OAHLLOKOSA-N 425.459 2.401 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)N2CCOCC2)C1 1286808806 XZESFVBWLVOSGI-NRFANRHFSA-N 439.560 2.208 30 10 IEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286826070 VSYPNYNZUFNEDC-SFHVURJKSA-N 445.589 2.402 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)N(C)C 1288614167 AMRFUTHWXDGWAI-SBUREZEXSA-N 434.548 2.252 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 1293239694 BXZBFUPVOIUINQ-CYBMUJFWSA-N 445.239 2.036 30 10 IEEE CCN(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1295398744 FLFWIWQNRPTASE-OKZBNKHCSA-N 443.577 2.103 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C 1296092634 GNGNPKXRDVFNHV-YCRPNKLZSA-N 426.477 2.146 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1297695521 HUXNKWZQYICWLG-BEFAXECRSA-N 429.546 2.255 30 10 IEEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](CO)c1ccccc1 1298371829 ICZGYRBNESCIFX-LJQANCHMSA-N 429.542 2.478 30 10 IEEE COC(OC)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1299729010 WQNGGTGVDJACQB-YJBOKZPZSA-N 447.561 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1300302719 DCGOJDLFCFZJIT-PXNSSMCTSA-N 449.559 2.409 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)NCC#C)CC1 1300390826 AHSBLZNNGZAQBZ-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C#CCN(c1nnc(CC)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1300498892 NTDDZJQJDZLAJK-GOSISDBHSA-N 444.605 2.188 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1300601755 KKGKMFSPFRJSDY-CYBMUJFWSA-N 443.932 2.219 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccco1 1300658420 DQJOEQQUTQKUAR-ZHRRBRCNSA-N 439.472 2.095 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1300711601 DQZUEHXVEDAZOW-SLFFLAALSA-N 444.624 2.257 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nccs2)CC1 1300755228 OTDCKAVYHXSEHZ-UHFFFAOYSA-N 428.591 2.218 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1Cc1nnn(C)n1 1300789292 FONBNGRDDWLKQX-GOSISDBHSA-N 427.310 2.272 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300834079 IAXYAHGUNXIFCG-CQSZACIVSA-N 433.310 2.076 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1300898117 WHRMKNZYUKOWNL-CTNGQTDRSA-N 437.548 2.389 30 10 IEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1301246257 OLDKUEUHCZAQGY-UHFFFAOYSA-N 427.530 2.321 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1301606171 KIQLFRGECKKVCV-UHFFFAOYSA-N 431.610 2.146 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1301965063 HDUIFZVGBFWYNX-OAHLLOKOSA-N 427.534 2.058 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@H]1C 1302251603 WBBYYWMLHUJJKB-ZPDADZDASA-N 441.532 2.050 30 10 IEEE CC(C)(C)NS(=O)(=O)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304253011 UKWJMOIBFKKMMH-OCAPTIKFSA-N 446.360 2.334 30 10 IEEE Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2cc(Br)ccc2C#N)c1 1309225073 CJOHOISFQXYRKL-HNNXBMFYSA-N 425.304 2.347 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1314553260 TYOWINGBKIBWHU-IAGOWNOFSA-N 446.577 2.150 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CC1(C(N)=O)CCOCC1 1316099992 HPLKMOJAZWJVCH-UHFFFAOYSA-N 446.939 2.247 30 10 IEEE CCc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1C 1320085840 HEYHDSGQGJJLMO-SFHVURJKSA-N 443.529 2.118 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1335739132 HZHWLYFRHMHHGD-OAHLLOKOSA-N 440.367 2.412 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1349994297 JPXQCAZKCNSTNM-SJORKVTESA-N 441.347 2.058 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)OCc3cc(=O)n4ccsc4n3)CC2=O)cc1Cl 1355181602 ALRWOMZILNNNOX-LBPRGKRZSA-N 428.857 2.377 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1358906951 YOOGLUDTDOGNDG-HNNXBMFYSA-N 427.505 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)C1CCCCC1 1358997079 DEIAGPYMEMXJNF-UHFFFAOYSA-N 435.576 2.394 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1359007165 XYHNINQSMILMPX-UHFFFAOYSA-N 431.544 2.200 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)Cc2ccccc2)CC1 1359034681 ADPAHCMJZUOUMW-HSZRJFAPSA-N 436.604 2.449 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359243393 PZOFIVWWWSQJPW-GOSISDBHSA-N 425.512 2.245 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359339110 SYIWCFXRQWHTRH-AWEZNQCLSA-N 425.580 2.236 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359478038 LLKWELLVXYOBGH-VSZNYVQBSA-N 430.532 2.072 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)cc1 1434880176 BMRVZBORRCGSPZ-YADHBBJMSA-N 434.496 2.433 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCN(c2ccccc2F)C1=O 1443827564 WXVHHKNYISSBGH-SFHVURJKSA-N 433.436 2.140 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)C1 1455701341 COTCURXOTZIWGS-CRAIPNDOSA-N 448.361 2.131 30 10 IEEE Cc1ccoc1C(=O)NCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1456802228 KMFORGSRNQWJHN-OAHLLOKOSA-N 428.876 2.402 30 10 IEEE CCOC(=O)CC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1461836284 ICLNRQJRLVXQCW-OAHLLOKOSA-N 433.892 2.183 30 10 IEEE C#CCN(C(=O)c1nnn(Cc2cc(C)no2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1471881111 GOAIMTAEFNDUHI-UHFFFAOYSA-N 442.520 2.406 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCCc3ccccc32)c1 1472194981 VKUQPBHPGOTHHC-UHFFFAOYSA-N 427.526 2.250 30 10 IEEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1472437868 HCHPEITWUQNRIK-UHFFFAOYSA-N 449.392 2.020 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1494878615 HBUFQPPOKHCFIP-JHVJFLLYSA-N 439.499 2.160 30 10 IEEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1503363032 BSOUFDSISKTZAG-UHFFFAOYSA-N 449.515 2.382 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504615685 TYFOOLBNAXVXAM-FUHWJXTLSA-N 432.475 2.157 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507532168 CGIJWDMSWKCOBW-ZJUUUORDSA-N 429.834 2.141 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507580233 WXCARRXCYSHTOM-UHFFFAOYSA-N 440.511 2.051 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1507614913 ISHGZYRIDWOFIU-QHCPKHFHSA-N 425.602 2.455 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1507622443 JIFNNMDUOWJRPF-ZWKOTPCHSA-N 428.558 2.206 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507744994 YORMLRYXVJAUCY-QGZVFWFLSA-N 440.573 2.181 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507750414 UPIDKGPJIXVNLX-INIZCTEOSA-N 438.561 2.037 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1507797390 LLXQAAFBZVZJBX-ZCNNSNEGSA-N 433.597 2.310 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1cnn(C)c1 1508136127 PPJLBAQTZUKRGL-UHFFFAOYSA-N 449.968 2.354 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1509756024 IDRRYZQGSJYDHP-ICSRJNTNSA-N 438.532 2.259 30 10 IEEE C=CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1516157016 UDOMRFAIOSXWPT-VXKWHMMOSA-N 448.523 2.296 30 10 IEEE CCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1516734178 BGXDJECGVSKQKY-KRWDZBQOSA-N 433.520 2.062 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCOC)ncn1 1517612619 ASOIABTURRTPIJ-IBGZPJMESA-N 447.547 2.400 30 10 IEEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)nn1 1526049894 PQWDYICWDMZDCJ-UHFFFAOYSA-N 441.513 2.228 30 10 IEEE COc1ccn2c(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)cnc2c1 1534146886 NXILBIGICPBTSK-NKFKGCMQSA-N 427.486 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)/C=C\c2ccccc2C#N)C1 1534590718 UUZNJWXDJMTLOK-CNZFZVQHSA-N 433.530 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCCN1CCN(c2ccncc2)CC1 1538996664 XQGZQOMDQAJVBM-FQEVSTJZSA-N 432.576 2.349 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1539238237 UBGVHJGHJANJBN-URXFXBBRSA-N 439.535 2.445 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1539519392 FSGUXKIAMNWRDJ-QGZVFWFLSA-N 432.619 2.353 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1OC 1539567314 VGNNQCYSKCWGNK-HYFFOGBASA-N 443.573 2.313 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCCS(C)(=O)=O)CC1 1539846245 NASRRNKBCKAICV-UHFFFAOYSA-N 440.516 2.365 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCOCC1 1540122359 USWDHQZRIFOXGA-IBGZPJMESA-N 446.559 2.464 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1540873060 LDIFGMDZONGFNX-UHFFFAOYSA-N 440.939 2.258 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O 1544162118 IERGMXMWTDWWCG-ZIAGYGMSSA-N 435.488 2.133 30 10 IEEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1546099371 COPXXDWNRMZESG-QFIPXVFZSA-N 426.521 2.260 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1555556504 HBYQVLKMZBZDQC-UHFFFAOYSA-N 440.529 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H]1[C@H]1CCCO1 1557941720 VVESQSGEXLXXDB-MTFMMBMASA-N 432.565 2.380 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1583961169 QRLLYZZURIEQHA-TVFCKZIOSA-N 426.579 2.471 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 1586493729 DRNJVYZQXARBEV-UHFFFAOYSA-N 430.357 2.215 30 10 IEEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1587783246 MRJMLTVBUBDXDQ-UHFFFAOYSA-N 445.589 2.359 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1588034182 BLGOWBHZUKKRES-ROUUACIJSA-N 438.594 2.209 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1588041203 VUZKRGMTWQIYMZ-MOPGFXCFSA-N 445.589 2.205 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1588068922 CELGXHAIKPSEHR-SFHVURJKSA-N 441.582 2.195 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1SCCc2ccccc21 1588139766 RAYWEMOCEJZLOR-QUCCMNQESA-N 440.594 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)cc1OC 1588170316 DMFFOKODNCHJEG-UHFFFAOYSA-N 435.528 2.237 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2cc(C)no2)n1 1588722878 HYOVFKIBRRGBJN-FQEVSTJZSA-N 439.520 2.347 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCn1ccnn1 1595094591 VARPWIAJLMQBOV-UHFFFAOYSA-N 428.504 2.425 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCN3C(=O)c4ccc(Br)cc4C3=O)CC2)C1 1611531711 GWGATYIOJXVEBE-UHFFFAOYSA-N 447.285 2.300 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](CC#N)c2ccccc2)C1 1611545392 BEDPVROYGXFASD-ZWKOTPCHSA-N 435.546 2.224 30 10 IEEE N#Cc1ccc(NC(=S)N[C@@H]2CO[C@@H]3[C@@H](OC(=O)NC4CCCCC4)CO[C@H]32)cc1 1616134994 QVDNNFUICVVFSZ-YDZRNGNQSA-N 430.530 2.438 30 10 IEEE C#CCN1CCN(C(=O)CN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)CC1 1618273672 LIJATAYLNWQEEI-OAQYLSRUSA-N 428.577 2.400 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)cc1 1622929751 VHHNGPYVNNLBLH-UHFFFAOYSA-N 430.530 2.316 30 10 IEEE N#Cc1ccc(NCCNC(=O)CCS(=O)(=O)c2cccc(Br)c2)nc1 1625280053 BAVIFCBLSAVHMP-UHFFFAOYSA-N 437.319 2.108 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C1CSC1 1629034148 SSJPZDZCQYUNDH-UHFFFAOYSA-N 430.507 2.407 30 10 IEEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 1630588181 GKKVWUBMVUZCCN-HDMKZQKVSA-N 425.576 2.294 30 10 IEEE C#CCN(C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1631971739 NVMLCGUCLKHOSG-FUHWJXTLSA-N 441.594 2.387 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N(OCC)[C@H](C)c2cccc(Br)c2)C1=O 1635025857 BVUNZPKWMQJMJG-GFCCVEGCSA-N 438.278 2.267 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)C1 1637885068 CRNZFIRHDZCAII-CVDCTZTESA-N 426.517 2.447 30 10 IEEE COc1ccc(CNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1C#N 1637996182 GJFJLEDCEWANMY-UHFFFAOYSA-N 436.516 2.283 30 10 IEEE CN(C)c1noc(CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)n1 1639174149 XVSLRRZIUSPKFV-QGZVFWFLSA-N 426.477 2.158 30 10 IEEE Cn1c(N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c(C#N)c(=O)n(C)c1=O 1640490058 MKQHGXBQDHDZLQ-INIZCTEOSA-N 445.564 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCCN(CCCO)C1 1640965899 ZQZUVSMSWGSRCK-TZIWHRDSSA-N 442.560 2.356 30 10 IEEE CN(C)c1nc(N)nc(COc2c(Br)cc(Br)cc2C#N)n1 1641454744 ATMJABYBSIFQGP-UHFFFAOYSA-N 428.088 2.495 30 10 IEEE Cc1c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nnn1Cc1ccc(F)cc1 1641857614 BQSUYQRQFGSRBU-UHFFFAOYSA-N 437.431 2.292 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](Cc3ccccc3)c3nc(O)n[nH]3)ccc2c1=O 1642571399 FYULEKKJRQUHMZ-QGZVFWFLSA-N 448.508 2.409 30 10 IEEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)nn1 1643214317 SESDJEIKTYIAJJ-UHFFFAOYSA-N 427.486 2.204 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccc(NC(C)=O)cc3C2)s1 1644255375 GUMSVELGZMYXEQ-UHFFFAOYSA-N 433.555 2.298 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CN(C(=O)OCC)C[C@@H]2CO)s1 1647735193 YTINIQIDVYGUJC-OLZOCXBDSA-N 433.983 2.404 30 10 IEEE COC(=O)[C@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1647854833 SGRTZLSZVXVAOG-BBWFWOEESA-N 428.533 2.239 30 10 IEEE C[C@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1648469826 NXIQBKBPRDUWEX-ISKFKSNPSA-N 442.510 2.257 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)C1 1651805497 LMZLCDTUAGLQOL-IFMALSPDSA-N 427.570 2.357 30 10 IEEE C#CCCOc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1653299186 RIJAUVOICJUTKO-QGZVFWFLSA-N 427.501 2.039 30 10 IEEE C#CC[C@@]1(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 1653523546 GQDCAZAJLXOAKB-QFIPXVFZSA-N 449.573 2.176 30 10 IEEE N#Cc1cn(C2CN(C(=O)/C=C\c3ccccc3OCc3ccccc3)C2)c(=O)nc1O 1653763110 PMZMULYOTMXVFU-KHPPLWFESA-N 428.448 2.496 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)cc(Br)c1)C(=O)OC 1655606831 XBSVUCCTTRGPKA-LLVKDONJSA-N 425.098 2.055 30 10 IEEE COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1660342521 HIGJGWNGHPBLOV-MAUKXSAKSA-N 442.516 2.227 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccccc1 1662726696 JPJQBXQJPKVXPH-INIZCTEOSA-N 432.445 2.180 30 10 IEEE COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1672352195 DUAGHCVTOMXOLV-OAQYLSRUSA-N 432.480 2.214 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(I)cc2F)CC1 1672945999 BSPDRVQSTFEIFZ-UHFFFAOYSA-N 429.233 2.424 30 10 IEEE COc1cc(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)ccn1 1675032257 XPBFLOZARHOOHK-UHFFFAOYSA-N 437.479 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1689835511 NWZNHUHDNRKVAJ-DLBZAZTESA-N 431.562 2.080 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC(C)C)C1 1689887003 MMMSVNDJVNIYOU-QGZVFWFLSA-N 429.521 2.440 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1690130282 CZMQUBRDXWRMCI-QFIPXVFZSA-N 428.625 2.123 30 10 IEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1)c1ccccc1 1690442665 YHRJVFRLYQKEQM-PXNSSMCTSA-N 447.605 2.457 30 10 IEEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C)C1CC1 1690543410 CLGQPXUSZAFFRR-UHFFFAOYSA-N 445.593 2.261 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCN1CCCS1(=O)=O 1690572262 XRUMCOICYMUUFK-GOSISDBHSA-N 449.552 2.149 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1692655596 GYLDNKHRNJKZDQ-KDOFPFPSSA-N 432.488 2.220 30 10 IEEE C[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1693637431 BNUHIIYJBXUYBQ-WMZOPIPTSA-N 446.577 2.150 30 10 IEEE C[C@@H]1CCCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1693681814 BFYAYNPOCQUCNR-QUCCMNQESA-N 448.637 2.432 30 10 IEEE CCOCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696438597 HPBOZOCGAKBIQM-GOSISDBHSA-N 426.521 2.079 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1696990673 NPEYAMUUYHXXDP-CVDCTZTESA-N 438.532 2.117 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCc2nccn2C1 1705540791 NDKHMFRYDSAMAC-KRWDZBQOSA-N 437.935 2.390 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H]1C(C)C 1705580282 GPNPVKVIERBINB-AVRDEDQJSA-N 444.539 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1nnc(C(C)(C)C)s1 1705581086 SSGZNGPYMYUNTQ-UHFFFAOYSA-N 437.529 2.276 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1([S@](C)=O)CC1 1705618454 IEHAISAFJPNPOX-PMERELPUSA-N 431.537 2.106 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705656294 XYENGCKTGSNVKF-IBGZPJMESA-N 441.601 2.479 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2ccnn2)CC1 1705765139 ZPHAAFMODDUXCS-UHFFFAOYSA-N 427.534 2.187 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C#N)C1 1705896200 DZMZFZXKXNGABB-MRXNPFEDSA-N 426.546 2.306 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1705923866 OVYIWYXBFFLKGO-SFHVURJKSA-N 436.491 2.332 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1709373275 LLTLEIIWFWWUPP-ICSRJNTNSA-N 427.505 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC(O)CC1 1722286636 JJIBEIXOSMHSIC-QGZVFWFLSA-N 427.549 2.267 30 10 IEEE C#CCCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722322736 PCCBQWQESYJTJQ-XMMPIXPASA-N 441.576 2.088 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCS(=O)(=O)CC 1722509328 MQQKQKFGNJMCET-XLIONFOSSA-N 433.578 2.116 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722694684 DSKIAFNAXDJWPW-YGKZAACZSA-N 441.532 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@H]1CC 1722727330 KKJIMSZLJNEQBB-GDBMZVCRSA-N 435.550 2.231 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCc1ccco1 1723774941 OHNXZKVAWBWBQY-HNNXBMFYSA-N 436.472 2.364 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727482386 XNHDZPOHNIKIJJ-UHFFFAOYSA-N 436.520 2.289 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccsc1 1729543156 WFMGRSJLYVNWSC-UHFFFAOYSA-N 430.559 2.106 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1729715329 FUELYORFKBUAHW-UHFFFAOYSA-N 448.512 2.300 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)C[C@@H]1C 1729793652 JKTQSWQBYSEWFE-KRWDZBQOSA-N 434.504 2.299 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740583133 VSBFRSPWUGXAFL-AEFFLSMTSA-N 432.546 2.002 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740793479 SZITWEHYGLXHBU-UHFFFAOYSA-N 432.613 2.204 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1 1741885710 HWLIIHMVZPCJMM-INIZCTEOSA-N 430.578 2.170 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1741971117 JAGOVEKGWQDJCX-YSVLISHTSA-N 430.896 2.079 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1747583360 JBJXEFROEZJLFN-UHFFFAOYSA-N 433.564 2.454 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1nc(C)cc1C 1748656793 ZAVOHRRGWVMYDA-QGZVFWFLSA-N 430.520 2.282 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1748846159 DRPCAKOMZADIGE-SFHVURJKSA-N 437.548 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCCS(C)(=O)=O 1748881135 CVUMFIOVOZNDII-UHFFFAOYSA-N 436.484 2.444 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2csc(CC)n2)CC1 1748993813 NCJZFCHYRNHWQO-UHFFFAOYSA-N 427.603 2.456 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC[C@H](C)C2)CC1 1749004914 QATPHOZEPUJHBX-FHWLQOOXSA-N 431.581 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC(C)(C)C1 1749740323 CPFHOMIBFZWVMI-IAGOWNOFSA-N 440.610 2.413 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1750379680 WOIZZFGJIXATOG-MAUKXSAKSA-N 430.450 2.326 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760128970 APNAXVWVQUNXIL-UHFFFAOYSA-N 437.548 2.424 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CCS(C)(=O)=O)C1CC1 1760155318 VLLFBFWFMKHVII-LJQANCHMSA-N 430.530 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1nccnc1C 1760223772 LTAVPAKCZKJEBC-UHFFFAOYSA-N 433.541 2.074 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC2(O)CCC2)CC1 1760269629 ADPOSINKRUIMIN-UHFFFAOYSA-N 439.535 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCCN1CCOCC1 1760290479 GZDGSTBITWHVBV-DNQXCXABSA-N 445.608 2.423 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760348549 BJXHMTSEZUVYJC-UHFFFAOYSA-N 439.520 2.294 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760528997 SWEVDLZEDHHGNE-JRBPQWBISA-N 430.597 2.172 30 10 IEEE CCCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1764196241 OJADNZINNAXPIM-UHFFFAOYSA-N 431.500 2.375 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1769044842 NSZKSXARCPARJZ-MRXNPFEDSA-N 429.525 2.317 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)C1 1770105675 CCRHBIWYWXUVFF-NJYVYQBISA-N 441.532 2.110 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](COC)C1 1772660202 LRKQFJCJDRABMR-GOSISDBHSA-N 429.546 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1772660565 UVHHWPFUWPNLPE-SFHVURJKSA-N 443.573 2.041 30 10 IEEE C[C@@H]1CCc2nn3ccnc(N4CCN(CC(=O)Nc5ccc(C#N)cc5)CC4)c3c2C1 1848468555 DGJHIOMBELMOHL-QGZVFWFLSA-N 429.528 2.486 30 10 IEEE C=CCN(C(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)[C@@H]1CCN(C)C1=O 1850972050 KWIIQKRJBZTQRY-QGZVFWFLSA-N 433.472 2.054 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3nncn3C3CCCCC3)CC1)OCO2 1852383103 HIZHUJWRFFMLRA-UHFFFAOYSA-N 436.516 2.271 30 10 IEEE C=CCOC(=O)[C@@H](NC(=O)[C@@H]1CCN(C)C1)c1ccccc1I 1852714390 KXRCAMGJATTWJJ-DOMZBBRYSA-N 428.270 2.129 30 10 IEEE C[C@@H]1C(=O)N(C(=O)C2CCC(F)(F)CC2)CCN1S(=O)(=O)c1ccccc1C#N 1855735161 GKYKSOOPSPIQFA-CYBMUJFWSA-N 425.457 2.132 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H](F)CC3CC4(CCC4)C3)C(=O)O2)CC1 1856671491 DYCLRAQWARQODH-DLBZAZTESA-N 441.525 2.208 30 10 IEEE COc1ccc(Cc2c(O)nc(=NCC(=O)Nc3ccccc3C#N)[nH]c2C)cc1OC 1858534483 JSJOAKRMYYDENE-UHFFFAOYSA-N 433.468 2.443 30 10 IEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C)[nH]n2)C(=O)Nc2ccccc2C#N)cc1 1866831276 PCPCUGZDIZEWSD-HXUWFJFHSA-N 431.452 2.495 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(F)c(F)c3)CC2=O)cc1 1870160181 ZGPIIZPKXIBWBB-LBPRGKRZSA-N 438.394 2.417 30 10 IEEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870477919 GQMPUCSKWXVZRO-UHFFFAOYSA-N 426.517 2.082 30 10 IEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1873784883 FGBXXULGZVLUFQ-QFIPXVFZSA-N 438.480 2.141 30 10 IEEE COc1cccc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890173668 DIXPLYCXNWLOAS-UHFFFAOYSA-N 427.589 2.275 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987169005 LBWHQDTYJIBZBZ-GJZGRUSLSA-N 425.526 2.039 30 10 IEEE CC(C)(C#CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 2023916077 BGMDRWZTJCEYJG-AWEZNQCLSA-N 441.525 2.167 30 10 IEEE CO[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)C1CN(C(=O)OC(C)(C)C)C1 2060637059 GEDZOYUQJUFBBK-LTIDMASMSA-N 436.358 2.419 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666735 AQCCZNDSESZAEY-HZPDHXFCSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#CC(=O)O 2229101394 OPQZCEPSMOESJQ-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2244372470 COHOURLPEDFACZ-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CN(C(=O)OC(C)(C)C)C1 2247831910 GNNWVPMKQVVSOZ-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254790294 AVCRCXKAPGJSNL-DLBZAZTESA-N 433.358 2.499 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)N(C)Cc1ccccc1 2255833351 BJHIROOEJUKETN-KRWDZBQOSA-N 426.370 2.453 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2255874120 JNLIEGOGBJXTPJ-CVEARBPZSA-N 433.358 2.500 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)CC2)C1 2266763501 DZEKDQVBUDJFQW-UHFFFAOYSA-N 444.385 2.122 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267012796 AEFVDIDICXLEDM-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]1C2 2267135408 CEIXCMLOSFPCRO-SOUVJXGZSA-N 446.357 2.227 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)n1 2267148467 ACLYXLAVXIKIJE-UHFFFAOYSA-N 448.373 2.378 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 2267153750 ZQLRAAZMDWAPKD-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@]1(C)CNC(=O)OC(C)(C)C 2267190644 RHEGSIJAAQLWLD-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267493110 GPZAHVDGKZIAMN-JKSUJKDBSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2267546742 AVLGBTDIROMJBP-UHFFFAOYSA-N 444.341 2.001 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267549239 KXCJIKOFRDJONA-GOEBONIOSA-N 448.373 2.237 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2278706741 ONSSAIFZIULTTB-GOSISDBHSA-N 448.369 2.450 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)cc2)C1 2323177787 RIVWCQLSEFGPNV-IBGZPJMESA-N 444.528 2.318 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263277 XLPGVCIHLKEBTQ-AJNGGQMLSA-N 446.357 2.131 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2337200301 GLNBQSBOIAJFII-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 18422297 ZDKLBQGNRRSUFO-CPJSRVTESA-N 447.491 2.492 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1O 21318837 BHFGAEKJXVRUSG-GZIVZEMBSA-N 449.443 2.161 30 10 IEEE C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 57848195 ISGCHQOTQZFDQJ-UHFFFAOYSA-N 431.480 2.212 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)ccc1F 111077886 AXBGMHAVHJNYDB-GOSISDBHSA-N 429.477 2.053 30 10 IEEE COc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2C/C=C(\C)Cl)cc1OC 254481548 YIGNKAHPQQXKBV-YJBXWQOKSA-N 432.868 2.441 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 446112305 OPWFKLJXTWZWNC-GOSISDBHSA-N 449.463 2.079 30 10 IEEE N#Cc1cc2c(nc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCC2 484161180 LXTSTJBUJJBUJG-UHFFFAOYSA-N 426.498 2.105 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 484483937 HIIYMXZZWWRWEF-HXUWFJFHSA-N 438.484 2.239 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC)CS(=O)(=O)c3ccccc3)cc2C1=O 503588599 KKTZFJGHPTVEFH-MRXNPFEDSA-N 426.494 2.451 30 10 IEEE COc1cc(I)c(Cl)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503628973 RMGLCFZBTGWTFG-UHFFFAOYSA-N 447.660 2.151 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cc(Br)c(OC)c(OCC)c2)CC1 506259013 NGCHHTHHWFDVIO-UHFFFAOYSA-N 426.355 2.276 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4Br)n3C)CC2)c1C#N 508152280 ULHUYLJYUUEFNL-UHFFFAOYSA-N 441.337 2.485 30 10 IEEE COc1cc(CCNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)ccc1OC(F)F 545504840 FFBDGAYUBOUTPY-UHFFFAOYSA-N 445.470 2.044 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C3CCOCC3)CC2)cc1 554574057 OMWORTRCJQMUOO-UHFFFAOYSA-N 449.573 2.097 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)c(OC)c1 558025578 UISMENJCCNMPCN-HXOBKFHXSA-N 445.516 2.183 30 10 IEEE N#Cc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H]4CO)cc3)CC2)cc1 561084310 ODMQAHXVDIPLAN-LJQANCHMSA-N 425.510 2.374 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)c1 603788498 HWMYTGPZEFFJFR-UHFFFAOYSA-N 433.508 2.472 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(F)c2F)c1=O 609350295 IDXLTLWWQGKHQG-UHFFFAOYSA-N 446.475 2.013 30 10 IEEE COc1cc(OC)c(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 727474629 JIGIMYSULWQWSQ-UHFFFAOYSA-N 425.489 2.447 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccoc2)c1=O 732795596 ONGFZCQJLWWINV-UHFFFAOYSA-N 437.521 2.095 30 10 IEEE COC(=O)[C@H](OC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccc(C#N)cc1 740211535 RKCCZYVNXDFMFB-QGZVFWFLSA-N 432.816 2.155 30 10 IEEE C[C@H](CC(=O)Nc1ccccc1C(=O)NC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 742509345 NULMVKMQRXQYDM-CYBMUJFWSA-N 426.498 2.035 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn23)[C@H](C#N)C1 758642674 FLKJUKKQVLSLEN-VXGBXAGGSA-N 425.898 2.025 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 769722304 VXEPNRUQNWFTAQ-SNVBAGLBSA-N 432.292 2.217 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC(N(C)C)CC3)cc2)cc1C#N 775157121 DEPOIYJQBITXSK-UHFFFAOYSA-N 435.528 2.352 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(CCCOc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 780564930 GJJKTXMHPVINBY-QFIPXVFZSA-N 436.560 2.182 30 10 IEEE COc1cc(C(=O)CCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc(OC)c1OC 783381114 LJUUYOWXOONITC-UHFFFAOYSA-N 446.481 2.361 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)NC3CC3)c2)cc1OC 784491194 QSPWMZNSNQLRBU-IBGZPJMESA-N 435.480 2.277 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(F)cc(Br)c1F 786059259 FDIJGMBCDZHBSM-UHFFFAOYSA-N 430.230 2.405 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NCc2nc3cc(Br)ccc3n2CC)CC1 790760086 KOAAOWSUFOWQIF-UHFFFAOYSA-N 446.349 2.490 30 10 IEEE COCCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802437958 VBHRPIICRPUSTI-FQEVSTJZSA-N 431.500 2.194 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 804460551 YVJBOQUEOHVBEK-UXHICEINSA-N 428.558 2.178 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)(F)F 811041715 GVQNMBBCCDCMND-GRYCIOLGSA-N 436.431 2.317 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 812184137 KYUFLMPHUGCZQR-VGOFRKELSA-N 449.552 2.158 30 10 IEEE N#Cc1ncccc1COC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 813168197 CSWNERRYCWCNGX-BDACHGGBSA-N 439.471 2.476 30 10 IEEE Cc1ccc(O[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)nc1 858060877 ZIBCWXFPVBMPHJ-RTBURBONSA-N 433.468 2.147 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC2)nc1 1125382644 MONWBQBYGXOWHY-UHFFFAOYSA-N 428.290 2.175 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)[C@@]3(C#N)CCCOC3)c2)nn1 1131865039 LDKCYYQAGXFYRW-JOCHJYFZSA-N 440.504 2.229 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1141303051 DWROTIIQMNNDJU-UXHICEINSA-N 430.549 2.109 30 10 IEEE C#CC[C@]1(C(=O)N(C)CCCn2cnc3c(N)ncnc32)CCCN1C(=O)OC(C)(C)C 1142513390 CDDHKORTEJCSRY-JOCHJYFZSA-N 441.536 2.050 30 10 IEEE N#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F 1178330485 XYDTWBVAAFJXAL-NSHDSACASA-N 433.330 2.214 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCN(CC(F)(F)F)CC1 1195125370 YVFKBQIXFOXJTB-KRWDZBQOSA-N 443.539 2.415 30 10 IEEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cnc3c(Br)csc3c2)C1=O 1211667146 QWINMMYBWPRELL-LBPRGKRZSA-N 430.349 2.466 30 10 IEEE CC#CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1222481878 OHNKAJWBCMCKKJ-RXVVDRJESA-N 430.526 2.262 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCC)CC1 1286311242 FRDOGPMPPXAJAO-UHFFFAOYSA-N 428.581 2.450 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286319241 XYPDJRYLKPSHLL-OXJNMPFZSA-N 425.599 2.333 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286387622 GYYCOKYMCXNMJK-LUQKVYGDSA-N 432.546 2.024 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286393533 LKGIMLBGVWSBGL-FQEVSTJZSA-N 433.622 2.438 30 10 IEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1286449385 WDLBHWYQBNXBOR-SFHVURJKSA-N 434.544 2.305 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCC[C@H](C)C1 1286462185 GBPCNUMGBSLTHQ-ZWKOTPCHSA-N 442.564 2.212 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1CC1CCS(=O)(=O)CC1 1286468985 OKBZSUDCHFNTHI-UHFFFAOYSA-N 446.573 2.076 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nc(C)c(C)s2)CC1 1286494841 UCQRHCWWQZMOPO-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1286518865 LTCIKRBWEGKBJW-UZUQRXQVSA-N 441.507 2.408 30 10 IEEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286674243 CACQAULXPVYQPD-LJQANCHMSA-N 443.548 2.419 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1286701070 VBTGMMHXBWAVID-AOMKIAJQSA-N 448.568 2.254 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](OC)C(F)(F)F)C1 1286798553 LFFSPHKNPFAMAG-LSDHHAIUSA-N 431.459 2.263 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cncn2)C1 1286803339 GQBRGYBWGIFJJH-AWEZNQCLSA-N 433.314 2.109 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](C(N)=O)c3ccc(F)cc3)C2)C1 1296113967 SWCVMGKMRQPOJF-QYSXUHOCSA-N 430.480 2.255 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 1296205915 GCGBTOUIUSWOBY-UHFFFAOYSA-N 447.591 2.214 30 10 IEEE Cc1c(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cnn1C1CCOCC1 1298457865 BYIOJNYQKQSFPD-GOSISDBHSA-N 436.472 2.258 30 10 IEEE CO[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1299568955 AWOQTAHDYUCLHT-RTBURBONSA-N 446.559 2.475 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1300385816 GUKMRCJWQGLXPW-FQEVSTJZSA-N 429.525 2.402 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300401640 UTUWEKKEABJBOR-UHFFFAOYSA-N 431.562 2.133 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300691188 ZBNGMSWDJUMUPF-UHFFFAOYSA-N 441.601 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCSCC)CC1 1300726784 QZXXQRDGXNVMHA-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)N1CCOCC1 1300874978 MCXIAEXLJLJIAT-FXAWDEMLSA-N 429.521 2.123 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1300972258 JNHUCIZLXOFOFA-AZUAARDMSA-N 430.597 2.462 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1301047463 ICHJLGKBEKLWSV-QGZVFWFLSA-N 439.969 2.046 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1301245521 JUNQJPFNESKSMN-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1 1301259421 JCFIFDCMABKGHT-UHFFFAOYSA-N 426.565 2.158 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC(C)C 1301341300 QKTMFNLMXFDVMZ-UHFFFAOYSA-N 435.532 2.103 30 10 IEEE CC(C)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccc(Cl)cc1 1301460101 FZCANFFXMYQYHM-PMACEKPBSA-N 435.933 2.364 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C(N)=O)nc2)C1 1301544225 UUVLQCNPHSQGLJ-IBGZPJMESA-N 434.500 2.277 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 1301716884 IBCGGFGLQOCVDF-UHFFFAOYSA-N 429.517 2.132 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N(C)C 1301970138 DNLXMWIFPYMLRI-NHCUHLMSSA-N 438.624 2.189 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@](C)(CO)Cc3ccc(OC)c(OC)c3)cc2C1=O 1303361750 NZQVARQQCPRQBS-XMMPIXPASA-N 438.480 2.209 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1303985566 XARQLPVWYNXUES-QFBILLFUSA-N 448.321 2.242 30 10 IEEE CC1(C)CCC[C@@](CO)(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1307940859 LHAABXDXERFWEQ-HSZRJFAPSA-N 441.532 2.376 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 1309746104 FYRGLJQMXOGOPS-CALCHBBNSA-N 435.546 2.375 30 10 IEEE C#CCN(C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCN(C)CC1 1312312514 RDZGKUCKSIJBMJ-UHFFFAOYSA-N 447.479 2.098 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)c1ccccc1 1312939920 LQNYMCLERMVOFW-LJQANCHMSA-N 442.497 2.294 30 10 IEEE CCNC(=O)C1(Cn2c(C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CCC1 1313974466 CTKLSECLKZOICB-UHFFFAOYSA-N 425.512 2.230 30 10 IEEE CO[C@H](CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1315186282 VEYZGQMBGMFMCB-ZWKOTPCHSA-N 449.481 2.408 30 10 IEEE COCC1(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1315836119 XSLBKADCDVLBNN-KRWDZBQOSA-N 439.520 2.251 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)OCCc2sccc21 1316210597 PXNLHAFILSTXCU-XFQAVAEZSA-N 447.561 2.280 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F 1358930171 PPJMRHKMDQDMGM-VQIMIIECSA-N 449.552 2.361 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358933669 AOGBUZQNQGLOPE-IBGZPJMESA-N 445.589 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(OC)c(OC)c1OC 1358980329 REICDENFPMVSQY-UHFFFAOYSA-N 431.496 2.411 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359129357 ZTDXDRAFEVNARB-SFHVURJKSA-N 442.564 2.228 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359295383 ZONHAZUSFFEGSJ-GOEBONIOSA-N 444.536 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)C1 1359322057 PBAZKEOFDQTBBU-WOJBJXKFSA-N 446.573 2.156 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359461926 NLCUBUMZPODHCB-VQTJNVASSA-N 438.532 2.118 30 10 IEEE CC(C)C[C@@H](C#N)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1435804268 VCIHLTSQRZGFDJ-BTYIYWSLSA-N 425.526 2.389 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1436926106 CKQUBZDONALZDL-DEICHXMPSA-N 442.965 2.459 30 10 IEEE N#Cc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1437623162 WRQISFIKHNXMOB-SFHVURJKSA-N 442.497 2.226 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)c1 1447653248 WPPJOSSEOBWRFC-KRWDZBQOSA-N 447.557 2.470 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)CC1 1449420422 CPSQXWXAAXMJKZ-UHFFFAOYSA-N 429.351 2.422 30 10 IEEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC 1455841254 SGJODDHPUZWMNG-FCEWJHQRSA-N 438.546 2.112 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCCC1 1456117010 YBKYLAGYCHFPPF-BEFAXECRSA-N 435.546 2.101 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1462291659 AMRUVHLNLKLOBT-UHFFFAOYSA-N 427.464 2.403 30 10 IEEE Cc1cc(Br)sc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1463328871 ALUIIAQVAVZPOQ-LLVKDONJSA-N 442.364 2.380 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)cc(OC)c1OC 1464575740 ZUIUWPMRRGYVEH-IHRRRGAJSA-N 432.395 2.377 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC(=O)Nc3ccccn3)C2)C1 1464612913 UKLGBRRIRZHVEG-JXORXQGFSA-N 427.505 2.313 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OC 1475687039 AYOYZLREKSFJGL-AWEZNQCLSA-N 448.335 2.341 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)nn1 1475886697 LLXSDUKTADNLNH-IYBDPMFKSA-N 432.550 2.452 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)NCc1ccc(C#N)cn1 1478763184 BCTNPJPMRBCCEV-AWEZNQCLSA-N 433.306 2.375 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccnc(OC(F)F)c2)cs1 1492682098 PBDOXMLOCAVENL-HNNXBMFYSA-N 447.471 2.407 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1503782176 BVAKLSDSTJNYRW-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1503949087 DSOSVZQMIQHEKQ-NZSAHSFTSA-N 431.562 2.176 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCCC2)c1 1505121310 GKGUZGBATWRVLD-NRFANRHFSA-N 446.552 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1507520451 CRMDIQBZKZVJPN-MRXNPFEDSA-N 438.557 2.316 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCSC1 1507606303 HGXXBUNCGXHOEM-MRXNPFEDSA-N 433.603 2.408 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507629208 KSSICARUPYLLEK-QFBILLFUSA-N 434.537 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)N1CCOCC1 1507641395 DNLSWKPWDBLEBJ-UHFFFAOYSA-N 431.540 2.070 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1507751851 SAWKYPFHHPBXJP-LJQANCHMSA-N 431.606 2.377 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1507917184 ZAYDBMZDFOBORI-CVEARBPZSA-N 443.639 2.155 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507968299 RDFFATMEHNMUPP-FQEVSTJZSA-N 437.548 2.358 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1508076564 GTCIEEIXFXNNIV-INIZCTEOSA-N 425.493 2.299 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1508312703 BZKQIGAAESPBEK-RQZFFVEVSA-N 442.589 2.469 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1CCCn1cnnn1 1508418236 JYTBPIBUGMDGBY-CYBMUJFWSA-N 430.314 2.380 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1510288751 PPMIHXLWSFACAT-SBUREZEXSA-N 448.506 2.348 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1 1518207332 FLMOROCUMKQNLD-QKNQBKEWSA-N 425.533 2.352 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1519511317 IBSJEYKEBPIMLN-IBGZPJMESA-N 427.530 2.177 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@]3(C#N)CC34CCCC4)CC2)cc1OC 1530270815 FERVHTZAQROBMM-QFIPXVFZSA-N 447.557 2.447 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1535296856 DKJRNTUJUQVJCZ-UHFFFAOYSA-N 429.498 2.176 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)s1 1536695390 VBQUBAGMDDZLIA-CYBMUJFWSA-N 434.499 2.245 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)Oc2ccc(C#N)cc2I)cn1 1538616221 NUAVYJAMVVNABX-UHFFFAOYSA-N 443.222 2.149 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1 1538966443 ZPCDTDFKSRSRCL-YCRPNKLZSA-N 431.924 2.125 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCSC(C)C)c1 1539042005 BCJAXASVGWPBBJ-GOSISDBHSA-N 440.573 2.427 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539063238 MESMRUVZDLSIJP-WIYYLYMNSA-N 448.527 2.295 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1539220544 KQXZZKXJZXLAEE-ICSRJNTNSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1539305462 BSMOVZWAFLDBMI-UHFFFAOYSA-N 438.963 2.226 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2csc(CC)n2)CC1 1539427694 HXUYTKQIFQBIIH-UHFFFAOYSA-N 429.594 2.019 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(C)(C)O)CC1 1539474433 QLGMOZKVOYCVFL-UHFFFAOYSA-N 432.528 2.230 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1540902634 NIWPUIHTPWHNCW-RTBURBONSA-N 438.594 2.373 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1541158550 DSDWDTZJYSSFNT-DLBZAZTESA-N 442.539 2.453 30 10 IEEE Cc1ccc(CN(C)c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1542371709 PFEAVQDZPUOFEC-QURGRASLSA-N 447.499 2.328 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3CCCNC3=O)c2)s1 1545115203 IWJJJMXDRNUJKN-UHFFFAOYSA-N 434.543 2.313 30 10 IEEE CCCC(O)(CCC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1546921000 FXRZOFHONKUJLG-LPHOPBHVSA-N 440.614 2.350 30 10 IEEE CO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1554620255 ZRTBWEINXHQWDH-OLZOCXBDSA-N 425.415 2.489 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1555191000 FAYCAKWKCIQQPS-UXHICEINSA-N 440.548 2.077 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C1 1557243650 WMTKBQLQLBOWDA-FQEVSTJZSA-N 431.456 2.457 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1557770884 ZKMVCLOLZVZGDR-QGZVFWFLSA-N 444.509 2.417 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)CC1 1558026568 WNDHNODQAWMMMG-LJQANCHMSA-N 431.455 2.306 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ncc(Br)s2)ccc1F 1558050765 NQOCGFVVWRHHDQ-UHFFFAOYSA-N 434.312 2.439 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1588272047 UEVJXSXXZIBIBW-HSZRJFAPSA-N 426.517 2.404 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)[C@H](C)CC)CC1 1588871961 TXBUWXFHDSYTKO-DVECYGJZSA-N 441.576 2.418 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1589069962 PDNJOLOQYPERDN-SFHVURJKSA-N 441.605 2.388 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1 1589135413 YXKZQHZKEJTUMM-HSZRJFAPSA-N 441.532 2.483 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 1593733406 CQPJKLDVUVKPGP-LJQANCHMSA-N 430.258 2.046 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1594127624 BQHZFKAEBLTTMX-SFHVURJKSA-N 440.504 2.010 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1594497849 NIMHNBCYUBPOIF-ZWKOTPCHSA-N 449.621 2.374 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1595094164 OJHQFKXUTWJLNR-ZJSXRUAMSA-N 436.560 2.303 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1596822704 MZSIQERKFVFXSR-QWFCFKBJSA-N 439.564 2.436 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1613122766 DTGAQIADQMXVJG-UZUQRXQVSA-N 440.548 2.194 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCC(C)(C)O 1618025522 GJNRBUICCNPHAK-UHFFFAOYSA-N 430.463 2.471 30 10 IEEE CNC(=O)C1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1623699690 MBGXCQIJIZVGOW-IBGZPJMESA-N 426.517 2.377 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1630578733 ZLGGJSGHGJUNOI-AWEZNQCLSA-N 444.941 2.227 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)c1 1631704044 BQONQBFVSILRGN-UHFFFAOYSA-N 431.456 2.442 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)cc1 1635875183 XTSXYCZFNIGVEE-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)Cc2ccc(C#N)cc2)C1 1638850721 OSTYFQJLRLUNKV-LJQANCHMSA-N 443.573 2.436 30 10 IEEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)c1cccc(OCc3ccccc3C#N)c1)C2 1640374566 JPPXTXINEAJHSD-OAQYLSRUSA-N 444.495 2.150 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](C(F)F)CC1 1648600595 RCLFVIMIPUTGLO-OAHLLOKOSA-N 429.489 2.168 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1653275038 ZAMJSVMTHLQAQX-ZWKOTPCHSA-N 435.590 2.385 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1 1662411680 CPHZPPGDMNPZHW-GOSISDBHSA-N 429.502 2.351 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC(N3CCOC3=O)CC2)cc1Br 1663308294 DWQRCAKVRBJKFR-UHFFFAOYSA-N 432.271 2.065 30 10 IEEE C#CCN1CCC(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)CC1 1670642398 LEJPAPNICHGFRC-UHFFFAOYSA-N 446.617 2.145 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccsc1 1689961217 PCHNJQRKACTNSV-JOCHJYFZSA-N 434.525 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCNC(=O)c1ccc(C)c(F)c1 1690022571 JTWCZUOFVJEZEL-UHFFFAOYSA-N 430.487 2.214 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)COCC2 1690095522 SSMDAMRHQQTNFW-XMMPIXPASA-N 440.544 2.137 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2ccnc2C)CC1 1690117909 ZWPOKEZFIJNYPJ-UHFFFAOYSA-N 449.559 2.313 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(N)=O)c1 1690243653 NRFNFJRQIDWEAP-UYAOXDASSA-N 435.532 2.395 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1690346664 YXXKABHNLMWWNE-GOEBONIOSA-N 441.941 2.298 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1690469583 UQSICJMOVKSPAD-INIZCTEOSA-N 430.557 2.211 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(C)cn1 1690516944 VBIBWXVCLGIXRP-UHFFFAOYSA-N 428.566 2.374 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1690682466 PDCRUKPRFYWKPO-AWEZNQCLSA-N 441.504 2.347 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690742551 ULQLTVDTDXMGJR-GJZGRUSLSA-N 447.565 2.233 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1691422024 GUNICYMRYZTIQE-UHFFFAOYSA-N 442.589 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705576027 DHCVDOAKBKBBDE-HNNXBMFYSA-N 449.939 2.092 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CN2CCOCC2)c1 1705582093 SWDVLBGZLDOAJD-QHCPKHFHSA-N 433.556 2.473 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(NC(C)=O)nc1 1705582519 COQANTSINVCQQJ-OAQYLSRUSA-N 442.479 2.265 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1705689213 FZVKWHFEKBCIPW-UHFFFAOYSA-N 434.342 2.024 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC[C@@H]2C)C1 1705928253 CFLUIUKBMZANRL-PMACEKPBSA-N 430.597 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705932234 QCVPYQMGEBTHKL-MRXNPFEDSA-N 448.574 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@H](C)c1nccs1 1705939391 WRQRXYXQQKVSPX-LSDHHAIUSA-N 425.580 2.427 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1711301827 YJANQFKXXCBPON-FUHWJXTLSA-N 432.532 2.094 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1711606463 HZZZTMRIIHXPPK-NRFANRHFSA-N 447.561 2.169 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](c1ccco1)N(C)C 1722350266 RTGSIHMRTQOXPR-SFHVURJKSA-N 431.500 2.157 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722360918 KHGUYVAKFPLFLW-WOJBJXKFSA-N 443.573 2.316 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1722416056 UKIMPYHGQRUQCB-UHFFFAOYSA-N 444.967 2.134 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCN2CCOC2=O)CC1 1722430578 FRTLPTIXWIAPPI-NRFANRHFSA-N 436.560 2.418 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1722442071 XMAABHHSAHWNTM-RTBURBONSA-N 444.580 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)N(C)CC)CC1 1722443057 AXAKHJZDTDOCCN-UHFFFAOYSA-N 448.527 2.135 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722483739 DINKTCJHQMHEES-JKSUJKDBSA-N 427.306 2.440 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccnc2C)C1 1722709510 RNQYBZLGBIAJOG-QGZVFWFLSA-N 434.504 2.048 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722716703 WUHQZXGQEQDTNQ-MJGOQNOKSA-N 431.562 2.008 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1722732250 WVOMRWBVDYZLTK-FXAWDEMLSA-N 426.583 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CC)C1 1722736865 LAJRJVPCQNJJGF-BZSNNMDCSA-N 426.583 2.229 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1[C@@H]1C[C@H]1CF 1723959490 CZFFHFJBKYLYMT-XEIOYGOASA-N 432.525 2.162 30 10 IEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](OCCOC)C2)no1 1727460127 ZXDZJSZJGSDKDY-GOSISDBHSA-N 437.504 2.247 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1731134962 ABBGRRUCOPLCTN-SFHVURJKSA-N 428.562 2.003 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(OC)c1 1740559210 YVIXOLQDCKJVAL-KRWDZBQOSA-N 435.532 2.036 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740627305 PFYDATHDUMXZKU-OALUTQOASA-N 435.638 2.368 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1740628816 URMJWKHSJGCTEP-ZMBJWTFHSA-N 439.541 2.322 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1740646616 GFCQMLFBBTXGEE-DEOSSOPVSA-N 441.576 2.042 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2ncccc2c1 1740657339 RCKJEEJDLOUVEW-HXUWFJFHSA-N 433.537 2.240 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O 1740724787 CXJUAZZOKBGEFV-OAQYLSRUSA-N 427.574 2.289 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740760645 JZELMOSLSWPPKG-TVFCKZIOSA-N 426.583 2.023 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740816600 ITBZUJAWHQAMFN-WIYYLYMNSA-N 439.988 2.230 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740950702 DOACBKQQZPHLSF-INIZCTEOSA-N 438.523 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1740953306 BGIBMUHHXMAPKY-GOSISDBHSA-N 432.326 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOC2(CCCCC2)C1 1740993102 YMFPRXSWZQBMCB-SFHVURJKSA-N 438.594 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]3CCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1740994672 UVJHWRZKPJABQL-WAOWUJCRSA-N 438.594 2.300 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1746053378 SNHXCCYJQVYGSE-UHFFFAOYSA-N 434.504 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(CC)CC 1748649115 JQAUDTWNWVCGGD-ROUUACIJSA-N 446.621 2.384 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](CC)N1CCCC1 1748776277 CXOFEXHGIZBMOZ-IBGZPJMESA-N 444.605 2.139 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1748835407 AYRJHFFNZQCUAV-OAQYLSRUSA-N 434.588 2.300 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)OCCO2 1748906304 AFOCBYFVRONFCU-UGKGYDQZSA-N 436.512 2.285 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(NC(C)=O)nc1 1748956565 HDYRSZBNQOWQGS-UHFFFAOYSA-N 448.483 2.162 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749029132 LEUFNJACVZFYCB-GOSISDBHSA-N 435.513 2.453 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749043072 DNEZKVYRSVIZBG-JOCHJYFZSA-N 443.548 2.004 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749358503 AWFOEWIKEVKXCV-UHFFFAOYSA-N 436.560 2.475 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C[C@H](C)O1 1749545949 DJFOARDCBQZZMF-YYWHXJBOSA-N 441.532 2.252 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1 1749597420 FYWXKAAXEUYDEY-UTKZUKDTSA-N 433.940 2.429 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1750070909 WLFFQDCPAUOIFZ-OAHLLOKOSA-N 443.533 2.135 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2)CCO1 1750387863 CVNLEBUKNRPNJO-SFHVURJKSA-N 426.546 2.063 30 10 IEEE CC(C)(O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1750530984 QACJSZHHGXIBGY-SFHVURJKSA-N 425.537 2.274 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760188910 QUQLOVLLTOUNTD-RBUKOAKNSA-N 432.521 2.334 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1nncn1C 1760237235 BACHJWWNSFESLQ-UHFFFAOYSA-N 430.310 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1760266672 IGUCGYMCIHJONY-IBGZPJMESA-N 432.528 2.209 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760282888 UHDMZSABSZKHCJ-UHFFFAOYSA-N 427.549 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760321594 IIWWMSISEROTKM-XPNTWCBSSA-N 446.640 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCCOC)CC1 1760333892 HVGLUKMNPUJOOV-LMNJBCLMSA-N 447.580 2.232 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1760337652 UVAWWPXWLOLPDK-MRXNPFEDSA-N 425.580 2.123 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1760355312 FMHKPWISSJAJLI-UHFFFAOYSA-N 438.532 2.400 30 10 IEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC)C1 1760374062 HRRPGILQXJBIKT-QGZVFWFLSA-N 433.944 2.056 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760407501 FPSOUPXIJHYMBA-RTBURBONSA-N 430.597 2.273 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760844581 YUNUAACUEQPZQG-MSOLQXFVSA-N 438.488 2.093 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)OC 1762426522 YGMSSYFCCTYNIJ-JTSKRJEESA-N 440.504 2.185 30 10 IEEE CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766541244 ZDAVYILKWIXUKB-UHFFFAOYSA-N 436.520 2.101 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1768192144 QZQYFHZGXDRNQK-REWPJTCUSA-N 441.532 2.254 30 10 IEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCc2cccnc21 1769846815 HZPTXUXEISBGHU-IBGZPJMESA-N 437.548 2.282 30 10 IEEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC3(CC2)C[C@@H]3C#N)CCC1=O 1857295744 WCJZKRBQEKARJE-DLBZAZTESA-N 429.542 2.095 30 10 IEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1858763211 QEOROJGDTFPZHM-UHFFFAOYSA-N 446.504 2.222 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862702223 XKBJSLBTKULZSI-LJQANCHMSA-N 438.436 2.108 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1862758858 FWCUSSFJUFFDJS-QGZVFWFLSA-N 443.368 2.169 30 10 IEEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863351612 CVISHTVOEHBQSL-UHFFFAOYSA-N 441.509 2.499 30 10 IEEE C[C@H](C(=O)O)N(CCC#N)C(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1866338425 XSJGBQNISQABHY-NVXWUHKLSA-N 447.488 2.229 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 1866580264 URVHXVSLTUNSTJ-PXNSSMCTSA-N 443.500 2.188 30 10 IEEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782482 JIWVSAMVPDEDJZ-MOPGFXCFSA-N 432.590 2.293 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)CC1 1890173674 DOTSXJCBZNPFCV-QFIPXVFZSA-N 427.589 2.491 30 10 IEEE COc1ccccc1OCC#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1890710235 GXFANGGZTMVLLE-UHFFFAOYSA-N 442.537 2.295 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891614367 RTVGNJPXAKKTEK-INIZCTEOSA-N 446.467 2.204 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(I)c(C)n1 1988512692 AFLBLHMCFKNJBC-LLVKDONJSA-N 430.246 2.245 30 10 IEEE O=C(N[C@H](CS)C(=O)O)c1ccc(I)c(Br)c1 2007074277 QSTPBNZGBCUQMT-MRVPVSSYSA-N 430.061 2.167 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2009979714 MXPPFWUGRUTKEZ-MBSDFSHPSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060640589 WRMRGTRGJPWRLL-HWMZRRJGSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1CO 2224092698 IUKMQYCSYSGPAA-WBVHZDCISA-N 433.358 2.093 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248405411 UHLWHQHNVCBBRJ-JSGCOSHPSA-N 440.371 2.110 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CO[C@H]2C1 2254802524 OKWMUXMOAISSRM-ULQDDVLXSA-N 431.342 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255528622 CUIXFJRPGRVLEJ-QGZVFWFLSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2C[C@@H]21 2255870324 KHFFFVURVCBOME-SJORKVTESA-N 429.326 2.215 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258229002 GVKKBXFKOKEQME-LBPRGKRZSA-N 430.232 2.252 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 2267153755 ZQLRAAZMDWAPKD-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1 2267179024 KGGHMKUZTABVHN-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267186156 FYRMMSHPAJPAQN-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267226250 YNWKKQMIEQJVMJ-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2267233630 JQJZLVVVJOINKC-HZPDHXFCSA-N 445.369 2.402 30 10 IEEE Cc1nn(C)c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267506723 CKDXIIXWOVCAPI-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267549956 SHULUKHQEWEWIG-CABCVRRESA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2cccc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2267591364 APVWLBLHSHYROD-JOCHJYFZSA-N 435.377 2.190 30 10 IEEE CN(Cc1cnns1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282840777 PLVJRDNKMHTWDE-UHFFFAOYSA-N 435.789 2.373 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2296281676 NKUCVTUEAGJOAS-UWVAXJGDSA-N 439.350 2.433 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(CO)C2)cn1 2297648661 IUBXPNLJCNJNFI-JXFKEZNVSA-N 433.434 2.272 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[nH]1 2315389673 FTMMVWKLRRDENT-QGZVFWFLSA-N 433.358 2.159 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)COC1 2322300339 RIAGZHNAMSUJJL-UHFFFAOYSA-N 437.321 2.473 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2326103119 JYWZLJIQBNLYDR-PHTWQSKTSA-N 440.544 2.407 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337301820 PGTBQLICZDWZMW-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(Br)cc1C#N 2369316208 ZSOQDKXUCTVXGX-AWEZNQCLSA-N 438.326 2.278 30 10 IEEE CSc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 28961576 ICSYJIUXPSFEGR-UHFFFAOYSA-N 430.555 2.225 30 10 IEEE CO[C@@H](COS(=O)(=O)c1ccc(C)cc1)OCCOS(=O)(=O)c1ccc(C)cc1 78916508 XOFIBYLQFDNQQG-LJQANCHMSA-N 444.527 2.403 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 103937002 IUHKYCIVZUGVIE-QFNVGMEYSA-N 432.502 2.441 30 10 IEEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)CC1 110913231 VPZVHSUTXVVPIE-FQEVSTJZSA-N 444.417 2.042 30 10 IEEE CCN(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 110914166 UIGLQRXWKMOTKF-OAQYLSRUSA-N 426.542 2.084 30 10 IEEE N#CCOc1ccc(/C=C\C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 230008758 CHJBCHUDPCGFIQ-UTCJRWHESA-N 435.509 2.016 30 10 IEEE COc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 254794290 FOABFDUCSGOWGT-UHFFFAOYSA-N 443.485 2.365 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 474527311 WLWQZCJYJQBZCS-OAQYLSRUSA-N 427.936 2.454 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(C#N)cn1CCOC 481380058 WCJMFQGXDAWJNK-QGZVFWFLSA-N 439.472 2.110 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 481912231 JQEJIBWIISAHDX-KNBMTAEXSA-N 446.598 2.486 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCNC(=O)c2n[nH]c3ccccc23)cc1 487715784 PJQYWCMBVMOVIF-GOSISDBHSA-N 448.508 2.095 30 10 IEEE COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cnc(C)c(C#N)c1 489068985 IVXWDEJFUUWOAM-GOSISDBHSA-N 445.497 2.130 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@H]1CCCO1 489095931 KTAVNCRRUQUVJJ-MRXNPFEDSA-N 448.491 2.418 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2)c1 508916407 ATXIPAKOLXMZTP-IBGZPJMESA-N 446.490 2.197 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 509723419 FREPQTDFLOKDJH-WOJBJXKFSA-N 434.521 2.385 30 10 IEEE CN1CCN([C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2cccs2)CC1 545899980 ZSWWWXBUWJPSPS-GOSISDBHSA-N 436.545 2.311 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)Nc2cc(C(=O)O)ccc2-n2cnnc2)c1 548597188 GHSFDZYMJZPCGQ-UHFFFAOYSA-N 448.258 2.400 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC)c(F)c2)c1=O 562491150 QQJDRNNQLWUGOK-UHFFFAOYSA-N 444.528 2.356 30 10 IEEE Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585479534 YOHHRUVNMLSLNM-UHFFFAOYSA-N 426.546 2.158 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)cc1 604354094 ALQMTLWZRGPVFG-UHFFFAOYSA-N 433.505 2.261 30 10 IEEE C[C@@H](O)Cn1c(N/N=C/C(Br)=C/c2ccccc2)nc2c1c(O)nc(=O)n2C 606630623 OTZOAMPFKUHQER-GLLBMZBVSA-N 447.293 2.050 30 10 IEEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1 609917365 PEEBVSSBOQKQLO-MRXNPFEDSA-N 431.489 2.306 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccnc(C)n2)cc1 730142408 ORJKAWGIXZVHRM-IBGZPJMESA-N 440.573 2.293 30 10 IEEE COC(=O)CN(Cc1ccc(F)c(F)c1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O 731024755 IIGRACMIKIZZFX-UHFFFAOYSA-N 442.422 2.233 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 736067583 CLSQEUSOBQUXEK-UHFFFAOYSA-N 445.932 2.109 30 10 IEEE CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741340826 HJZSXEKXOUUPCD-LINNUKDLSA-N 441.484 2.209 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCN1C1CC1 745875454 OFIGJJZMVFORTD-WMZOPIPTSA-N 433.459 2.165 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)c2C)nn1 746691959 OYGIBYYVRZCCQB-UHFFFAOYSA-N 447.499 2.455 30 10 IEEE COc1ccc(COC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)cc1C#N 747022226 INFJORZUYHLGOD-UHFFFAOYSA-N 425.260 2.334 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)c2C)cc1 758069410 PACCUCFEBNHKQH-LJQANCHMSA-N 442.589 2.237 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2c(C)cccc2C)C1 760290976 ALPLDVLWRCVZTB-CVEARBPZSA-N 431.562 2.175 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c(=O)[nH]c21 760399738 BWJFMNXUEHJWIO-SREVYHEPSA-N 431.518 2.239 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)=NO1 764014066 FXIIUYRFVALHAO-PKOBYXMFSA-N 427.505 2.065 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCCCC3)sc(=Cc3ccoc3)c2=O)CC1 767885827 ZEIXIGNGVUZWSG-UHFFFAOYSA-N 425.554 2.422 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1-c1ccccc1C 782604558 LCMRNZDZCQDLHA-UHFFFAOYSA-N 448.573 2.347 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)n1 788888821 DKKBPYSAUNKBGY-QHCPKHFHSA-N 439.560 2.056 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2ccnn2-c2ccccc2)n1 789967395 LWQULCMWLTYYOD-SFHVURJKSA-N 434.529 2.493 30 10 IEEE O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cccnc2F)C1=O)NC1CC1 794441228 NRIGZLSDFQFOMO-UFGLDMCJSA-N 427.505 2.327 30 10 IEEE CN(CC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1)C(=O)OC(C)(C)C 804161730 AMANAHHSKJHLKE-UHFFFAOYSA-N 432.496 2.419 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 804455061 CIDAVJLBQOBUAD-NZQKXSOJSA-N 426.538 2.192 30 10 IEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC2(CC1)OCCO2 809892775 DJJVCSVPTMSZFC-UHFFFAOYSA-N 438.576 2.172 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)c1ccc(Cl)cc1 810470199 FBVWPESWAQJOGU-OAHLLOKOSA-N 426.828 2.451 30 10 IEEE CCOC(=O)c1ccc2c(c1)n(CN1CCN(c3ncccc3C#N)CC1)c(=O)n2CC 913140710 MCFYETGJLCBLKU-UHFFFAOYSA-N 434.500 2.046 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2C1=O 917832334 TUSCPNSBGWAHPK-GOSISDBHSA-N 446.507 2.100 30 10 IEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)c1C 1084092874 ZNGSRBNLRRCJBO-UHFFFAOYSA-N 439.549 2.476 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1132972351 LAICBVVNONMPLO-UHFFFAOYSA-N 429.542 2.051 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)[C@H](C#N)C1 1137215221 QEYTZMJMOWSVLC-QZTJIDSGSA-N 427.505 2.114 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC(O)C1 1143167629 OQJPXEAFUIVULB-UHFFFAOYSA-N 432.496 2.012 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)C1 1154958370 DVMGDPCWJAWTEF-MSOLQXFVSA-N 430.553 2.068 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 1161325576 AAUHDSJEBIWHQB-QGZVFWFLSA-N 444.475 2.419 30 10 IEEE N#Cc1cccc(ONC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1 1171247866 WGIWTLYFSZVNLU-UHFFFAOYSA-N 436.287 2.485 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1174772046 YYRSVKBCOXCLHB-IYBDPMFKSA-N 441.956 2.495 30 10 IEEE COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)S(=O)(=O)CC(C)(C)C#N 1190539822 HADILAVLRKWTND-AWEZNQCLSA-N 433.324 2.483 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C1CCOCC1 1192786925 GMBCVFUCRXQAHY-AWEZNQCLSA-N 434.283 2.082 30 10 IEEE C=CCN(C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)[C@H](C)COC 1210543110 GRUZTDZUSVKSDX-OAHLLOKOSA-N 436.557 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1286298234 HMEGCQQVZWMKIY-HUUCEWRRSA-N 433.603 2.216 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)CCCN2C 1286415456 NSRIJRASQQPCPA-UHFFFAOYSA-N 430.556 2.408 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1286561789 OWMPJDGMFAMYGC-YLJYHZDGSA-N 440.548 2.396 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1286724224 FSGGEZIXFUCMLT-UHFFFAOYSA-N 432.532 2.222 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@@H]1C 1286744793 OKJRABDDZQVBRN-SFHVURJKSA-N 444.555 2.469 30 10 IEEE C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 1291186192 BFTMGQAXDDZIBE-FXKZBUDASA-N 443.596 2.247 30 10 IEEE C#CCN(C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1291930023 XVDJHXLDBWGEEX-OAHLLOKOSA-N 438.571 2.304 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1292019698 DVJTZARZDNAZGF-IVZQSRNASA-N 442.520 2.094 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 1296751067 BUBRGQAEYKAKKJ-OAHLLOKOSA-N 431.455 2.164 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1300357156 IXAFLBHDDOVIJB-IBGZPJMESA-N 434.544 2.056 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 1300690154 DHGACTWMCKZNPS-UHFFFAOYSA-N 440.857 2.032 30 10 IEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1301216210 FGQVCGBRJMORMJ-INIZCTEOSA-N 435.532 2.343 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCCCO1 1301479271 YDBVBGCUQIFBQR-IBGZPJMESA-N 440.548 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)CN(C)C2=O)C1 1301565678 JEGJSTGBJNWPRS-XXBNENTESA-N 425.533 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1301566253 OFFITDOKLUFNOH-KKLQWCBXSA-N 428.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC2CC2)CC1 1301578206 UFRWWYLPSKCHEY-UHFFFAOYSA-N 433.553 2.217 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301637143 MQTSKGDITISIBZ-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE CC(C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1302361848 BPMLHRZBTYROAS-UHFFFAOYSA-N 438.532 2.204 30 10 IEEE CC/C=C\Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1306483904 JDJKVEXZBSBHGW-CDKWRECCSA-N 435.576 2.338 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 1309228046 XYRGVUFYHBRKPB-SFHVURJKSA-N 430.526 2.408 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 1312354290 WECFHKAUYZVUFB-UHFFFAOYSA-N 440.566 2.050 30 10 IEEE C#CC[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1312660046 FHAVGNXLEKGXNB-AWEZNQCLSA-N 428.352 2.091 30 10 IEEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1313769577 GKYSDTXVGDNBKK-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CNC(=O)c1ccn([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC)C2)n1 1314981394 HLWKZWOLRZADOA-IBGZPJMESA-N 448.531 2.251 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1F 1315507367 RUUKHHKMIVZVSQ-JTSKRJEESA-N 445.495 2.243 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCn2cc(Br)cn2)CCO1 1316537588 DOFKLJWJCUIGJZ-OAHLLOKOSA-N 443.309 2.118 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 1317922227 NKTDLMDHVZTPDG-UHFFFAOYSA-N 446.286 2.161 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1S(=O)(=O)NCC#N 1319486534 RWNUBRIKRXHZGP-QUCCMNQESA-N 430.505 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1358871146 AJLQWXUCSAFHDL-QWHCGFSZSA-N 445.467 2.293 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358939357 VCOUNVYWWHLJMV-DOTOQJQBSA-N 435.525 2.051 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1358940942 SMIMUQYRLAXWJH-BEFAXECRSA-N 434.338 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(OC)CCCC1 1358978534 OWYXHFHOINSUQM-UHFFFAOYSA-N 433.560 2.484 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC1CCCCC1 1359002604 GMSIDWLFHUXHRT-UHFFFAOYSA-N 443.573 2.257 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccc(F)cc2)CC1 1359018570 VDXOBWQARBSGII-UHFFFAOYSA-N 425.508 2.471 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2=CCCOC2)CC1 1359032744 BJJSTNWBKFZQGM-UHFFFAOYSA-N 437.544 2.454 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1359038723 HWFAEWZFIDSQRC-XMMPIXPASA-N 434.544 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1359045180 ZABUJIXTCPRDPM-PZJWPPBQSA-N 442.608 2.012 30 10 IEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1359116139 ZMOKIWFQLHYFHC-UHFFFAOYSA-N 439.608 2.133 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)ncc1C#N 1437476376 CRKWDZPTXPDTBW-DZGCQCFKSA-N 440.422 2.255 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 1446629710 IXPMFJVWONTAJG-XAUUPUKJSA-N 432.608 2.273 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 1460177561 AKCPGZGTBSCZKD-ROUUACIJSA-N 442.537 2.427 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 1460206964 XYXXKDBMMREQKM-OAHLLOKOSA-N 428.470 2.040 30 10 IEEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1460780103 WDLPMPOBBGZHAQ-IHPCNDPISA-N 445.608 2.485 30 10 IEEE Cn1ccnc1[C@H](O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1466252654 SEGLRFQHWIJWBI-HXUWFJFHSA-N 430.549 2.343 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cc1 1466736342 IEXHXIGQJGIQQO-ZHALLVOQSA-N 426.517 2.477 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)[C@@H](C)O)c1 1470646186 XDWTUZJEMAGNTN-AUUYWEPGSA-N 438.933 2.193 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(Br)n1 1492901219 HHJAKJMZNWBOIO-UHFFFAOYSA-N 439.321 2.386 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(C)C)C1 1503272706 BKAIDPMBJVRMCB-LJQANCHMSA-N 446.577 2.007 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)SC)CC1 1504537762 HDZXELAHIGXSQW-HNNXBMFYSA-N 428.562 2.300 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507656570 YMEXJARATRAYOE-QPPBQGQZSA-N 436.512 2.277 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(NC(N)=O)cc2)CC1 1507735738 GCXNXXOXRVUNEB-MRXNPFEDSA-N 437.548 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2CCC)CC1 1507735930 BBNGQTRWMNMMQK-FQEVSTJZSA-N 435.576 2.180 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(C)=O)CC1 1507946533 ROQSMYFWZXTDSD-UHFFFAOYSA-N 445.593 2.309 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507964580 DNPGLRIUWSBEKF-UHFFFAOYSA-N 448.568 2.050 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1508000011 RPUYEIFTEPXBAQ-CVDCTZTESA-N 436.516 2.099 30 10 IEEE CC(C)CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCN2C1=O 1509402600 CKAAZCSVOFSWML-IBGZPJMESA-N 437.548 2.170 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCS1 1514176333 AQHWJSGYVCVJGY-RTBURBONSA-N 429.546 2.476 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)cc1 1519505963 DZCPNVHQDPRKJY-GOSISDBHSA-N 429.546 2.364 30 10 IEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1520265562 CHEWHDYRNYMYHE-MJGOQNOKSA-N 429.546 2.476 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1521101726 HSAGRIPXPOZKBS-DENIHFKCSA-N 440.479 2.366 30 10 IEEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1=O 1532371638 NOLIDZPGMLRIDJ-QGZVFWFLSA-N 437.500 2.392 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)Cn2ccc(Br)cc2=O)cc(OC)c1OC 1537838309 OTINNTYGJFQTTF-CYBMUJFWSA-N 436.262 2.018 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1 1538966438 ZPCDTDFKSRSRCL-BTYIYWSLSA-N 431.924 2.125 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1539051387 AJCZCAIWOWPGLK-KRWDZBQOSA-N 430.530 2.151 30 10 IEEE N#C[C@]12CN(C(=O)CN(Cc3ccco3)c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1539118481 NQSIAJNADMIMDH-MGPUTAFESA-N 433.917 2.336 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1539231171 PLRDQFXDYZACRW-OAHLLOKOSA-N 440.928 2.282 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1539454113 WTNSMGPPJGYUOO-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(N(C)C)cc2)CC1 1539459566 KDEQHHNJXQEAKW-UHFFFAOYSA-N 446.603 2.204 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1539744901 ZXWHRRNBGBPJOE-OAQYLSRUSA-N 438.576 2.453 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1539750750 CGQUPHWNWXZSKT-LJQANCHMSA-N 439.560 2.398 30 10 IEEE COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1540844383 QMLAXJIUYUNHII-LLVKDONJSA-N 444.303 2.480 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1540875595 QTQUVAXWSIUFDQ-IAGOWNOFSA-N 429.521 2.172 30 10 IEEE N#Cc1ccc(C2(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CCCC2)cc1 1546281350 YKZXORAGJWDMAE-UHFFFAOYSA-N 432.528 2.015 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1547059336 DCNDJCUZGATUTK-UHFFFAOYSA-N 447.547 2.126 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC[C@@H]2CCCO2)CCO1 1555994858 KNQKWTHHVQHGBM-RBUKOAKNSA-N 429.496 2.322 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1557816326 HEFSMLGSJIWGBU-NRFANRHFSA-N 434.496 2.198 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 1560193738 JMVIEKOURQASOF-UFYCRDLUSA-N 435.613 2.161 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCc3nnc(N4CCCC4)cc3C2)c1 1561765302 BQHJRHWLAQNFBO-UHFFFAOYSA-N 448.346 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(C)=O)cc1 1588258960 OOWNMZNKRIMXDN-UNMCSNQZSA-N 435.528 2.472 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)N(C)C 1588280045 FERJEGDCYZXBEI-OAHLLOKOSA-N 435.619 2.482 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1 1588481854 MNURVQBJIRNEDD-IBGZPJMESA-N 434.475 2.460 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593741472 QAQVQZKBDVLUPJ-QGZVFWFLSA-N 428.541 2.060 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1F 1611684193 HWVIGQJOOWMKJN-HNNXBMFYSA-N 434.541 2.400 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)O1 1613688483 OLXOWIIYBKPENA-GMQQQROESA-N 433.553 2.395 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615357384 JVYHCFVMJIIPEQ-IRXDYDNUSA-N 439.564 2.437 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C#N)cc1 1617369729 CDAULTPHMPHQCC-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1617370068 RKTBGIUDLVRJTO-INIZCTEOSA-N 446.577 2.150 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)C[C@H]1O 1618884524 FHGSAEBMBYSRGW-HSALFYBXSA-N 439.516 2.136 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)OC 1623579111 BUDFXEAFJJFCBF-ROUUACIJSA-N 432.517 2.450 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1628661940 GJKSMDHZQYYEEE-MRXNPFEDSA-N 441.431 2.047 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 1630291372 NGIGNRGQVVZWIQ-TZIWHRDSSA-N 427.526 2.318 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 1631330513 DVYYXCNBUUEXBU-QGZVFWFLSA-N 428.470 2.221 30 10 IEEE COc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1631438093 JPNRKTGQGOLSPG-IIDMSEBBSA-N 449.529 2.176 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccc(C#CCO)c3)C2)cc1 1632035829 UEMZBKDHPLFTEA-FQEVSTJZSA-N 426.538 2.170 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)C1 1634554622 FEIBNJYIYHHOAC-OALUTQOASA-N 447.377 2.337 30 10 IEEE Cc1nnc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)s1 1635307616 IJHHPHCTFUYTSU-ZGOJQLDESA-N 446.577 2.282 30 10 IEEE C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[C@H]1N1CCN(C)CC1 1636325417 GTOIAZKOOABMJO-DNVCBOLYSA-N 435.366 2.184 30 10 IEEE CCOC(=O)[C@@H]1Cc2cc(F)ccc2N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1637093856 KBLMXNURHAOUFI-GOSISDBHSA-N 444.484 2.381 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN([C@@H](CC)c2ccc(F)cc2)CC1)c1cc[nH]n1 1637396875 HBEBQHHOIBCCRB-IBGZPJMESA-N 445.495 2.128 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(I)c(Br)c1 1641521910 UZWDEYWMVNVKCJ-SNVBAGLBSA-N 439.047 2.164 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)NC)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454596 MKIGGIIPUHZWCL-UHFFFAOYSA-N 441.575 2.131 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(S(=O)(=O)NC)cc3)nnc12 1655994681 AFTGHGDXGTVMSE-UHFFFAOYSA-N 441.538 2.431 30 10 IEEE N#Cc1ccc(N2CC[C@H](N3C[C@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)C2=O)cc1 1656532124 YYKRMPLYURXGNO-UWWQBHOKSA-N 427.448 2.105 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)CC1 1659401019 LVJOGNJMUZONKX-GOSISDBHSA-N 437.466 2.195 30 10 IEEE C=CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1667315229 HHGRSSGBYFADSQ-IAGOWNOFSA-N 437.562 2.419 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccs1 1689930569 VCBKFQXQOGHUME-IRXDYDNUSA-N 449.602 2.427 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1689947953 OZQOUYBFLBPYND-YKGWIAGDSA-N 430.574 2.315 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689982165 IYOGVBVJVJYGCQ-VGOFRKELSA-N 442.541 2.479 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1689983588 DEMMFSGRKIQTAU-IBGZPJMESA-N 429.590 2.160 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1690102330 IIJXFMKNPTUXPX-OTWHNJEPSA-N 430.597 2.072 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1(=O)=O 1690189168 VJVSKSJKTZASEW-DYESRHJHSA-N 435.594 2.156 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1690265566 QDHPKNLPEPSKKG-KSZLIROESA-N 425.599 2.450 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccn(C)n2)CC1 1690367678 XOBFIWQQASKBMB-UHFFFAOYSA-N 426.546 2.481 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNS(=O)(=O)CC)C1 1690687381 ALIUZTLSEZCXHH-KRWDZBQOSA-N 439.969 2.319 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C1 1690812617 PWBHNXQXFIVDLM-PMACEKPBSA-N 438.532 2.212 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1705490854 SCKQPJHZHYEKLF-AZYRPFHASA-N 440.573 2.292 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705500941 VDKQTNPILBWGLP-AZUAARDMSA-N 429.590 2.335 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705533646 PUJVIYWAOQNDRB-SJORKVTESA-N 430.553 2.336 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CC2(CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 1705561641 VJPZYPWWCVKRQA-SFHVURJKSA-N 434.606 2.409 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705564868 RLOFOKACKMWUBD-JENIJYKNSA-N 443.573 2.170 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1705568308 KNZXFHZSABBGBX-ZMSDIMECSA-N 436.484 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705584642 SASRWZMQSHZDMC-UHFFFAOYSA-N 444.486 2.497 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1705625956 CJNJBAJFFGGPRY-UHFFFAOYSA-N 431.422 2.478 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1705641306 ZZNDRZAIVNUUCE-UHFFFAOYSA-N 444.587 2.309 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705700583 VWTHAUBILOOKJE-MHORFTMASA-N 426.583 2.023 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705754285 URJOUXILKIFDKT-SNRMKQJTSA-N 436.988 2.261 30 10 IEEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705757681 UOHGBRDPKVIHKT-UHFFFAOYSA-N 434.972 2.034 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705821432 WTAOFDATRBGVPE-GOSISDBHSA-N 443.577 2.001 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3c(F)cccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1705893947 WLMJLFJDDSFGMB-QFIPXVFZSA-N 447.486 2.357 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2OC)C1 1705922530 OBZKHPRZHMZNDV-KURKYZTESA-N 441.532 2.487 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706745411 ACNWIVADIVFZEX-INIZCTEOSA-N 436.520 2.333 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722332805 OYOINYAGCJCQNW-MDZRGWNJSA-N 432.546 2.462 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1722353077 MWDTUXMQGBBMQS-UHFFFAOYSA-N 436.907 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(C)C)cc1 1722384879 ZADHVPZNALUTGK-HXUWFJFHSA-N 440.569 2.336 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2cc(OC)ccc2OC)CC1 1722438483 YEMRWIRSZIIZCJ-HXUWFJFHSA-N 439.560 2.187 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1722468987 RIOFECZFVBZJSJ-PTUXOGIPSA-N 429.565 2.181 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1722508065 KFTUEZYZAOSFAH-XWSJACJDSA-N 438.594 2.167 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1722712293 PGOBESHNSZTEGZ-QPHCHLROSA-N 438.557 2.443 30 10 IEEE Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1726355326 GJJLGZCPXXQTNI-VQTJNVASSA-N 428.562 2.299 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)c2ccccc21 1729572449 ISBWRWCVVLQXAY-MRXNPFEDSA-N 426.546 2.281 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1740563033 QJPOEHLVJJBXFQ-CWRNSKLLSA-N 428.541 2.176 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624258 HDSUPRZQCMSAAQ-PKOBYXMFSA-N 447.630 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CCOC 1740631580 VGNGINJDJPXCDF-UHFFFAOYSA-N 428.558 2.484 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(S(C)(=O)=O)CC1 1740681587 QZNMRMZEVNLSCO-UHFFFAOYSA-N 440.928 2.401 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1741835845 KBLJCPFLESAVHX-OAHLLOKOSA-N 428.500 2.302 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1 1746334841 GJCRAWMBXHVCCF-GOSISDBHSA-N 444.605 2.420 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1747412588 COMZEAYDJGSHQV-BEFAXECRSA-N 429.546 2.255 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2(O)CCOCC2)CC1 1748983362 OOVLGZYXYOMPFK-UHFFFAOYSA-N 447.942 2.424 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1749047833 DTKOFAPEPSQYSU-UTKZUKDTSA-N 430.578 2.024 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749225727 JKNHDUNNXNFPEI-FQEVSTJZSA-N 430.597 2.271 30 10 IEEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749403869 NHJFCFQNSAOQMW-UHFFFAOYSA-N 444.624 2.348 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1749634870 LQHQKXODUSDBGE-PZJWPPBQSA-N 437.592 2.267 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1749689267 GJFIGESGOLMVAJ-JPYJTQIMSA-N 443.548 2.413 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCn2cc(Br)cn2)C1 1749705269 HNAJVKHPBVZZBZ-HNNXBMFYSA-N 445.325 2.176 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)C1 1749717597 MWEXWDIOBYPBAE-WMZHIEFXSA-N 425.533 2.159 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCCC1(C)C 1749829208 RYPFVZAXUYMTCV-JOCHJYFZSA-N 444.536 2.313 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCC(=O)N3)n1CCCC(F)(F)F)C2 1750381994 NAGIZWSYBLQBKG-CQSZACIVSA-N 435.410 2.107 30 10 IEEE CC(C)N1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1750896870 HLQBDDYWPDPKBB-UHFFFAOYSA-N 448.575 2.422 30 10 IEEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760452990 UICWHXIWDDQEQC-UGKGYDQZSA-N 444.624 2.202 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1760530024 OMXVFKNWSXNPKS-PKOBYXMFSA-N 425.533 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccn(CC)c2=O)C1 1760549900 OMRRSMQTBLUUCA-HXUWFJFHSA-N 437.548 2.151 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1761362533 CVQZYBAKPRDNLJ-HNNXBMFYSA-N 433.557 2.219 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1761409816 FPLIVIXSWVUGDW-DLBZAZTESA-N 427.528 2.069 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCn2cc([C@H]3CCOC3)cn2)n1 1762415288 XIVIVGRPUBTMLV-LPHOPBHVSA-N 437.552 2.136 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1763933335 JNDZRMUCJXQTEL-HNNXBMFYSA-N 446.515 2.180 30 10 IEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1764541695 NZAXRSQBKDLCFJ-FGZHOGPDSA-N 426.496 2.340 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1OCCC1(C)C 1767943648 ZMFLPFKTJAJPQV-FUHWJXTLSA-N 440.552 2.006 30 10 IEEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1769086962 FZNKHQJQGRHWJO-UHFFFAOYSA-N 444.421 2.341 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)CCOCC1 1770070611 RIWZRLGUOIOJBA-UHFFFAOYSA-N 441.532 2.254 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCSC1 1772516651 WYHLLDRWODBHBU-JOCHJYFZSA-N 426.542 2.197 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1772567025 GZKRKOFXQOJZND-VQTJNVASSA-N 441.532 2.408 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)CC2=O)cc1F 1850442465 AOBRCHFKTCIDLP-IBGZPJMESA-N 440.519 2.488 30 10 IEEE Cc1cccc(N2CCN(CCNC(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)c1C 1851381947 MGKNVFJJGLZELL-UHFFFAOYSA-N 431.544 2.387 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc(OCC(F)(F)F)nc2)CC1 1851914705 XUJYAKFVSUPXAL-UHFFFAOYSA-N 435.406 2.268 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862177591 FPFJOTDSHPASCK-XLIONFOSSA-N 439.512 2.018 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862695635 HHOGLUWLJLJXNA-RBZFPXEDSA-N 425.437 2.426 30 10 IEEE C=CCN1C(=O)C(NC[C@@H]2COc3ccccc3O2)=C(c2ccc(OC)c(OC)c2)C1=O 1863523467 HIMQOLOMDMKAHX-MRXNPFEDSA-N 436.464 2.399 30 10 IEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C)[nH]n2)C(=O)Nc2cccc(C#N)c2)cc1 1866831747 UKAJHUAFLRXVJZ-HXUWFJFHSA-N 431.452 2.495 30 10 IEEE C[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccccc1C#N 1866893647 CRUBCCZBQHHXLZ-KRWDZBQOSA-N 445.523 2.374 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCC)c(CN(C)C)cc2=O)nc1C 1870323164 JXZKMFOSXVHNFU-UHFFFAOYSA-N 448.545 2.445 30 10 IEEE COc1cc(F)ccc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889423271 PVBYPIBGPGBZGK-UHFFFAOYSA-N 431.552 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1908260912 BBNMPOJHSUQXFR-SLFFLAALSA-N 428.533 2.153 30 10 IEEE C=C(I)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1992152174 AQFCNCNEEGFMBV-ZDUSSCGKSA-N 437.322 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)[C@H]21 2060635190 JHNPDUWRJABSEI-BRWVUGGUSA-N 434.342 2.411 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)c3cscc3Br)nc2)OC1(C)C 2102365420 BWFBFAPNOZEBGN-UHFFFAOYSA-N 446.157 2.401 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H](Cc1ccccc1Br)C(=O)O 2237396219 CYOORTCMEXBXSW-NSHDSACASA-N 427.114 2.273 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247772947 BYFPGAIMRGQAMK-HUUCEWRRSA-N 438.355 2.069 30 10 IEEE CC[C@@H](CN(CC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255626766 KHFYZLLGVNDARP-AWEZNQCLSA-N 436.362 2.474 30 10 IEEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)NC(=O)OC(C)(C)C 2255630664 NFGPIPCPZLESIH-CQSZACIVSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255636064 PCXXNJLKDLYCSG-UMVBOHGHSA-N 449.382 2.428 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638556 KZUYTSXTPGCMNV-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE C[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255699327 XAADAXMJFKTXDV-GDBMZVCRSA-N 431.342 2.366 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255831042 PFUCXPWAMKQOBI-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CC1 2266973495 GKIQKNFYMAIGQL-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE C=CCC1(NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267189369 ZKTXOKQIZMFJJR-UHFFFAOYSA-N 446.357 2.015 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267195448 KVKMYMOPJSFHRL-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE Cc1c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493939 OLZWZTRHIYNIAP-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871067 LHZVCCCSNHWEQO-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268664253 SEMGBOBFOGXHPP-UHFFFAOYSA-N 446.353 2.369 30 10 IEEE CC1(C)OB(c2ccc(Cl)cc2NS(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2277960990 OEHWFEJLPRYYSY-UHFFFAOYSA-N 429.731 2.286 30 10 IEEE C=CCCC1(C(=O)NCCc2nnc(Br)n2C)CN(C(=O)OC(C)(C)C)C1 2281016175 DDXCWEXPWZETSC-UHFFFAOYSA-N 442.358 2.440 30 10 IEEE Cc1nn(C)c(C(=O)NCCc2nccn2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282585005 YFLJTRBDJFAFJD-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE Cn1cc([C@H](O)C(=O)C#Cc2ccc(Br)cc2)c(I)n1 2296232186 LJARDPTXPWNDQD-ZDUSSCGKSA-N 445.054 2.441 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2305240668 JPXFIDSFAWZNRR-YDHSSHFGSA-N 428.533 2.454 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2306635746 OBSVHMTXBZASSH-KPRXVCGWSA-N 428.533 2.454 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1C 2315526483 LTADRLHQCTVSHD-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE COc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCC(N)=O)cc1O 2328727675 FHWSRJZRTVKMMF-UHFFFAOYSA-N 441.513 2.464 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2329045276 VKYDEHWBKRDADM-OAHLLOKOSA-N 432.506 2.267 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337192592 NKRBAYJKILUDIQ-UHFFFAOYSA-N 443.353 2.025 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2337200814 NHAIGZGQGVNPPS-CABCVRRESA-N 448.373 2.237 30 10 IEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1Cc1ccccc1 2337201113 QVQZOIDBVGYROA-GOSISDBHSA-N 438.381 2.456 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C 2337283659 RAJHZVQUCDEGIW-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)cc1 58994317 ZZXIKCXHXYZDPG-SSDVNMTOSA-N 442.501 2.122 30 10 IEEE N=C(NN=Cc1cccc([N+](=O)[O-])c1)S[C@@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O 252635656 WZBYGFUKZSVZSY-OAHLLOKOSA-N 441.425 2.217 30 10 IEEE C=CCC[C@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 320238447 GEUOWEIVSXSWOJ-SECBINFHSA-N 428.146 2.399 30 10 IEEE Cn1cc(-c2noc(CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)c(C(F)(F)F)n1 426218872 VFOCESCNKLUVHA-ZDUSSCGKSA-N 445.361 2.418 30 10 IEEE C[C@@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 463190508 DMMLLXITTNXOPO-XMSQKQJNSA-N 440.569 2.449 30 10 IEEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)ccc1C#N 464710597 NYOGIIYYEOXINE-UHFFFAOYSA-N 442.541 2.347 30 10 IEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c(OC)c1 481061726 PTLYFTCARYYRNB-UHFFFAOYSA-N 447.488 2.002 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 485729729 BKHWLZOXZBHDTP-CJMONDIMSA-N 448.495 2.065 30 10 IEEE COC(=O)C(C)(C)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 494408653 YBWKLJXWWWVEPJ-UHFFFAOYSA-N 441.532 2.126 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 506927835 GQZNDECFWDCXJU-UHFFFAOYSA-N 438.963 2.073 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1-c1ccc(F)cc1 562328453 CEODSGOPEBZULW-UHFFFAOYSA-N 431.851 2.080 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(CC#N)cc1 566876618 LKGGLLJGIVDBLX-UHFFFAOYSA-N 442.541 2.340 30 10 IEEE CC(C)Cc1ccc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 582627445 XNJSFSVHIZHFBO-QFIPXVFZSA-N 440.525 2.393 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)OC(=O)c3ccc(-n4cnnn4)cc3)cc21 586322830 FDILHIKWGDEEFG-AWEZNQCLSA-N 433.424 2.002 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cc1 608957886 VOFUTGPYULVXHU-SFHVURJKSA-N 429.523 2.013 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)CC2)c1 611195205 IIDORLABOVLFBR-UHFFFAOYSA-N 444.364 2.061 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 679755567 VYXCQFHRAIOIGD-SFHVURJKSA-N 426.513 2.490 30 10 IEEE N#Cc1ccc(N2CCN(CN3C(=O)N[C@@](c4ccccc4)(C(F)(F)F)C3=O)CC2)nc1 728561601 RBWPJAWLNBSUAL-HXUWFJFHSA-N 444.417 2.042 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1F 730730701 XRWCLYNWENNFNE-QGZVFWFLSA-N 449.508 2.022 30 10 IEEE N#C[C@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)C1CC1 731203130 KNPPYGZWSQXPSV-IRXDYDNUSA-N 425.514 2.141 30 10 IEEE C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 741656442 BVJNKNLOMVJXBH-UHFFFAOYSA-N 438.502 2.423 30 10 IEEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 742089948 BUTUPPFHMKXJIA-OAHLLOKOSA-N 445.589 2.383 30 10 IEEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 743114471 OKIYHWDITAJTLJ-YBAYSFDISA-N 449.577 2.364 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CCCS2 746037357 JRZLKSAIETZGMJ-CYBMUJFWSA-N 448.570 2.100 30 10 IEEE CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1 751688976 XQKLLJLZZWNYTD-PKOBYXMFSA-N 448.589 2.262 30 10 IEEE COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC#Cc1ccc(Cl)cc1 754274853 GZBWNWMEDKBOSI-UHFFFAOYSA-N 428.857 2.059 30 10 IEEE C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 754404766 YSBUNNOUPDQPEO-DCBSDEPNSA-N 431.514 2.398 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H]1C[C@@H](C(=O)O)CO1 757501141 DZMZLFZRDSNYFV-SJORKVTESA-N 448.475 2.134 30 10 IEEE NC(=NOCC(=O)NCCc1cccc2cccnc12)c1ccc(N2CCC(O)CC2)cc1 768517746 FVMYDOFYGKHQHN-UHFFFAOYSA-N 447.539 2.192 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cc(F)ccc2OC)C1=O 777468884 YWKBQCXLXYFVDG-PAEYTKSYSA-N 430.505 2.408 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCCC#N)C1=O 784125776 SLBFRZNLJGCZLC-LJQANCHMSA-N 427.574 2.478 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CO)CC2(CCC2)C1 790088340 DVEOMMFWDFHHMX-KRWDZBQOSA-N 433.574 2.199 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)n1 790104570 RAPAFAXSLSPPQH-GGAORHGYSA-N 438.528 2.110 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790515069 XZKMMGOHMUXWBQ-HXUWFJFHSA-N 429.583 2.215 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 792700398 QCGPHSKGIUWPCE-SFHVURJKSA-N 431.489 2.384 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)n(-c2ccc(C#N)cc2)n1 793070824 DJCXORNHVYPBIR-OAHLLOKOSA-N 431.443 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 795957363 KSDLWCDPUASSFO-NRFANRHFSA-N 441.576 2.338 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H]2CCCO2)CCN1C1CC1 802685119 WAAPCTSTSGMWRP-FCHUYYIVSA-N 444.543 2.486 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 825436002 DKMHPNQNRNCZND-SSGOSMAHSA-N 425.466 2.292 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)CCCOc3ccc(C#N)cc3OC)C2)n1 856699684 MDHLKMXDYFYMDP-JOCHJYFZSA-N 428.489 2.267 30 10 IEEE CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918608189 GREWRKZLFUXZMP-UDWOFDDZSA-N 440.591 2.086 30 10 IEEE N#C[C@@H]1COCCN1C(=O)c1csc(I)c1Br 1126150298 WRZNMKVSPCFAQF-ZCFIWIBFSA-N 427.061 2.480 30 10 IEEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1130025269 MBRBMARGSDAJGG-FQEVSTJZSA-N 425.510 2.077 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1133114912 ZDYUWZXMRRQTHI-UHFFFAOYSA-N 429.454 2.090 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3c(Br)cnn3C)c(C#N)c2N)cc1 1137136125 SBSRARPYPHFBEE-UHFFFAOYSA-N 442.321 2.493 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(c2)OC(F)(F)O3)s1 1142980043 QBVVMMFKGKENCA-UHFFFAOYSA-N 430.454 2.393 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1)C(=O)OC 1161364629 FPOPDHQJJFRPGO-OAHLLOKOSA-N 430.482 2.241 30 10 IEEE C=CCCn1cc(C(=O)N(CC)[C@@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 1166956932 CMGUIXAGCNXDCT-KRWDZBQOSA-N 448.568 2.174 30 10 IEEE C[S@](=O)C1(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCN(C(=O)OC(C)(C)C)CC1 1175029658 JOEOBSAZATVOGB-PBYQXAPXSA-N 431.558 2.290 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](CO)c2cc(F)ccc2F)CC1 1176925665 CTKUXFUKVZSFSQ-SFTDATJTSA-N 432.446 2.136 30 10 IEEE C=CCN(C)CCN(CC)CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 1193914478 UEEADHQGUGTPNM-UHFFFAOYSA-N 448.633 2.190 30 10 IEEE CN(C)C[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H]1CN(C)C 1234607208 BJIOLSCCAALDML-HJLBWTBNSA-N 428.581 2.024 30 10 IEEE COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cc1 1248376275 VNIYKOLZTWBPON-NZQKXSOJSA-N 447.539 2.493 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286395701 TWCLQPWUVZZBAY-HXUWFJFHSA-N 435.638 2.225 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1286474537 HCVIKTUXUKSVAT-NRFANRHFSA-N 442.995 2.201 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCC(F)(F)F)CC1 1286477233 SPRIJJTVFVXKSE-UHFFFAOYSA-N 445.449 2.413 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286481219 SZKQXPPETMQEEF-OFNKIYASSA-N 427.524 2.322 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286563040 UDBFLHYBJGCMPR-PKOBYXMFSA-N 448.593 2.020 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1286613831 GOGANZVYKJQVIS-KRWDZBQOSA-N 448.568 2.269 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1286785740 RKXKPIBIRKXCCY-GOSISDBHSA-N 447.543 2.366 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286796460 SPEFTTVWIOOMGS-QHCPKHFHSA-N 433.516 2.311 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286799395 UVLTYWSQUURVLB-HKUYNNGSSA-N 425.533 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1286824392 CCNNRGIFWPNPAG-BRWVUGGUSA-N 426.583 2.023 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1288099405 AMAADZNCSPNVFA-HXUWFJFHSA-N 448.886 2.331 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1294889641 AGZBESWKUBIJRR-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1296250782 DYXLVFFJENXKRR-YADHBBJMSA-N 432.569 2.223 30 10 IEEE Cn1cc([C@@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CCO2)cn1 1298805571 XGDDKAFPXWANGF-HSZRJFAPSA-N 435.532 2.465 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCN1C(=O)c2ccccc2C1=O 1299763857 PKAVOVLUVJFYMO-GOSISDBHSA-N 427.501 2.438 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300386037 KIXZEJAJFFDTIY-LJQANCHMSA-N 448.552 2.375 30 10 IEEE C#CCCCn1c(N2CCC(C(=O)NCCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300425576 VVILTGASLFVWDZ-HSZRJFAPSA-N 431.581 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(=O)N(C)C)cc1 1300455134 FWQWVROJARPOQB-UHFFFAOYSA-N 435.488 2.217 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N(C)C 1300510027 CUAAVZJPHGCPJA-GOSISDBHSA-N 446.559 2.497 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN(C)[C@H](C)CC)CC1 1300691292 SSAZIVYOEYZOFC-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300756552 PPOGFWYRWQWTHK-KRWDZBQOSA-N 425.518 2.284 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1300983224 FRXZUPWHUKEYIV-UHFFFAOYSA-N 440.552 2.198 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1301105664 LMQAUTVZPJYDCW-CGTJXYLNSA-N 425.599 2.352 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301197318 IAUVUJMMWGLDHK-BZSNNMDCSA-N 426.583 2.372 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301236538 GUGFNWGVQBKFGF-SFHVURJKSA-N 446.596 2.238 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1301505976 DAHIHYCDKYJIFB-CTNGQTDRSA-N 427.512 2.310 30 10 IEEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1302805011 GDAIFHLGDUYDDX-QRVBRYPASA-N 435.594 2.371 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1302842689 STZLSYXJZRPVMT-ZTFGCOKTSA-N 444.923 2.015 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@@H](C(F)(F)F)O1 1305153858 GBJXRJZBTOMYTC-JQFCIGGWSA-N 437.422 2.388 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](CC)OC 1305758095 AWLBHLRITFMXKF-KRWDZBQOSA-N 441.536 2.156 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NCc3ccc(OCCN4CCOCC4)cc3)C2=O)cc1 1308389195 ACZAQNUPULMYSN-DEOSSOPVSA-N 434.540 2.160 30 10 IEEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)co1 1353656333 SYRCVNQEPSWOPI-UHFFFAOYSA-N 430.305 2.122 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@H](C)C1 1358949402 AUYFQENTJGVKSC-KURKYZTESA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1358960389 DCEZSHCCJQYEBK-SFHVURJKSA-N 443.573 2.174 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1OC 1359002919 RSKYWPHJEITWBB-OXJNMPFZSA-N 444.532 2.482 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 1359036583 AHHSLPFLRPVDCP-FQEVSTJZSA-N 435.601 2.384 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1359037472 KNJLIFRFDZNLMU-UHFFFAOYSA-N 441.461 2.481 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(CCOC)CC2)CC1 1359046362 ORURNZCUEPHOGN-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCOC(C)(C)C 1359091432 NHEUCLWXBWBTMR-ZACQAIPSSA-N 443.614 2.121 30 10 IEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1359138944 HVTDKPNSFISJJY-LJQANCHMSA-N 426.546 2.405 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](Cc2ccccc2)OC)CC1 1359159422 VVOCMJQZXMDTID-MJGOQNOKSA-N 433.578 2.302 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359227085 SBMXDVNORNWLNG-QGZVFWFLSA-N 443.508 2.005 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1[C@]1(OCC)CCOC1 1359290670 LIZZITXZQDMMBE-QFIPXVFZSA-N 429.521 2.288 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(C)CC1 1359292187 JSPRYZWJPARQEG-UHFFFAOYSA-N 428.924 2.320 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccs1)N1CCOCC1 1359515718 DNUXGZIQUNKUNY-IAGOWNOFSA-N 430.578 2.439 30 10 IEEE N#Cc1ccc(C2(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CCOCC2)cc1 1438370332 GEUMBMKEGGEOAC-UHFFFAOYSA-N 425.510 2.435 30 10 IEEE CC(C)(NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(C#N)c1 1461516732 UZJSMPHVBHIJQA-UHFFFAOYSA-N 431.489 2.383 30 10 IEEE N#Cc1ccc(CCNC(=O)c2cc(I)ccc2-n2cnnn2)cc1 1461530272 IBFPDSWGIUBCTD-UHFFFAOYSA-N 444.236 2.111 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)C1 1464496354 LCFWLGNHVJHWAF-CQSZACIVSA-N 428.352 2.092 30 10 IEEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1465076874 SPKLGYASOCOYBK-WMZOPIPTSA-N 433.530 2.280 30 10 IEEE C=CC[C@@]1(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CCCN1C(=O)OC(C)(C)C 1470224876 FFUYOZIVTRUASC-GOTSBHOMSA-N 437.581 2.064 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccccc4CC#N)C3)[C@@H]2C1 1471434805 NSHIMCJPRTWTEF-QRQLOZEOSA-N 440.500 2.407 30 10 IEEE COc1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1S(=O)(=O)NCc1ccccn1 1472621737 BVPDHFLFOPTLLC-INIZCTEOSA-N 442.419 2.143 30 10 IEEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCO1 1473652862 ZHECCMSIJMUFOH-GOSISDBHSA-N 430.553 2.050 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2nccnc2C)CCOC1 1502687740 CGOJOBJGGZBENF-YADHBBJMSA-N 425.537 2.401 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1(C)C 1504518888 JSARYAWEUQCDCD-ZCNNSNEGSA-N 441.532 2.130 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCO[C@@H](C)C1 1504955643 YHYCWFAVHYYWLS-RBUKOAKNSA-N 434.585 2.243 30 10 IEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C1CCC1 1505151195 CFUVYDZIBGHFPM-IBGZPJMESA-N 444.561 2.047 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3OCO[C@@H]3C2)cc1 1508096246 DKISZJBRNVIAER-BGYRXZFFSA-N 441.532 2.371 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(C)COCCO2)C1 1508124990 GQQIBXZHRZPCOI-WMZHIEFXSA-N 428.533 2.464 30 10 IEEE C=CCSCCn1c(C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1508151936 HJJBYFYQVUATPD-UHFFFAOYSA-N 425.562 2.477 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1509950481 DFHUPCJHLDTIJK-VQIMIIECSA-N 435.532 2.138 30 10 IEEE C[C@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1510084361 DAHDHEIFYCKSRU-LQWHRVPQSA-N 434.610 2.042 30 10 IEEE CC[C@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1512821440 XYMMIQAAQSBXMT-ZJYNUGOYSA-N 426.525 2.171 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1517492890 PGFCGTCDUIODPH-XMSQKQJNSA-N 426.496 2.216 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CCO1 1521128621 FPRZOLQFUIRCDX-GDBMZVCRSA-N 434.422 2.219 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 1530262622 FSWXWKIJCCBVKR-NHCUHLMSSA-N 430.574 2.092 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4c(CC#N)cccc4C3)C2=O)cc1 1534232342 SGDBAJQSQWGJLV-DEOSSOPVSA-N 432.480 2.113 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1 1535261843 DHVMXOBLWIZXCZ-UHFFFAOYSA-N 435.527 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1538982349 DYEHHWZDQWZKPO-SFHVURJKSA-N 440.592 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1539028804 DAGTZRMQVNOTBU-JKSUJKDBSA-N 429.546 2.271 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1539125388 LRYTZOBJODLSFA-QGZVFWFLSA-N 437.591 2.031 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1539204159 ZHYWEQDLTREHQM-KZNAEPCWSA-N 430.578 2.192 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539216657 VEPXHDCLTURREF-SFHVURJKSA-N 431.562 2.090 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1539223209 ZLSBRBJULJQDLR-KRWDZBQOSA-N 431.562 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCc1cnc2c(Cl)cnn2c1 1539271690 HJTLWJAAJFWRNJ-UHFFFAOYSA-N 430.903 2.276 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1c(C)noc1C 1539395636 FSHHCNVWGVODED-HNNXBMFYSA-N 437.504 2.420 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1539437618 GEYKVPHZQYRRHI-UHFFFAOYSA-N 433.541 2.223 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1539446655 HWLPZWABOHHUPT-AWEZNQCLSA-N 440.495 2.255 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539616657 RTPDKQBJCGZLIS-SBHAEUEKSA-N 432.613 2.419 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@H]1C 1540122561 XMGFXKRQOQICPD-LJQANCHMSA-N 446.559 2.464 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2nsnc2c1 1540189612 XAJNVZKLBANSHR-UHFFFAOYSA-N 427.534 2.206 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N(CCNC(C)=O)Cc1ccsc1 1540857340 QLMJDSIVBFKRPN-UHFFFAOYSA-N 428.518 2.396 30 10 IEEE CC(C)CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541587976 AQVQENKSZKKMDK-GOSISDBHSA-N 433.626 2.372 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1541803373 HBFQQHQUYCWDMV-AZYRPFHASA-N 442.593 2.102 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545467329 HOZFFZVTTYJLLR-OVKKFGRKSA-N 428.537 2.323 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1546800827 WHPWFUSIQGUJRB-UEKDZROGSA-N 444.561 2.213 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@](C)(O)c2cc(C)oc2C)CCOC1 1547891075 AKSGANKUUHYXLO-FDFHNCONSA-N 447.511 2.490 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C(C)C)CC1 1548281409 XZFZFSVRBJOSDD-HSZRJFAPSA-N 426.565 2.382 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1552454234 HVOLTXXRLQUYIV-PMERELPUSA-N 429.546 2.114 30 10 IEEE CN(CCC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1554269539 NWBMPXCEGYRGPD-LJQANCHMSA-N 438.532 2.260 30 10 IEEE CN(CCCn1cnc2c(N)ncnc21)C(=O)Cc1ccc(Br)cc1C#N 1557080670 LXQCLFBFKNTCGB-UHFFFAOYSA-N 428.294 2.134 30 10 IEEE COCCN(C(=O)OC(C)(C)C)C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1559970111 CCYDFPMFTQBYOH-IBGZPJMESA-N 425.570 2.406 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 1559982378 NUCWNIJEHFUJQV-MRXNPFEDSA-N 437.443 2.442 30 10 IEEE COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1564342720 ATIMSNDKMGIEBE-GOSISDBHSA-N 437.475 2.343 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1565718719 OYUQJXRNXDWKPX-DFQSSKMNSA-N 430.549 2.087 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1567385666 PAEMSJRNNQUNOT-GAJHUEQPSA-N 427.501 2.421 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1570589497 FVNGUCBOIMSEQJ-MRXNPFEDSA-N 427.482 2.018 30 10 IEEE N#CCCN(C(=O)CCC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1 1587552831 LVISIYUWSVBMOK-QFIPXVFZSA-N 435.528 2.126 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CC1 1588180503 GZZADDLLGXZQOJ-IBGZPJMESA-N 439.585 2.391 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1588420690 LKDBYCLBHSTLCU-UHFFFAOYSA-N 429.571 2.280 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOCCOC)CC1 1588877017 RMLAYKOMBBFARL-WOJBJXKFSA-N 433.597 2.005 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OCCOC)C1 1589053213 KDZBFZPJLXBVCF-INIZCTEOSA-N 447.561 2.004 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1589506231 TXBGGKGHNZGTBW-POAQFYNOSA-N 433.520 2.498 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1593884079 BHYZGNPHZWQRQY-OAHLLOKOSA-N 437.953 2.316 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1594813709 XAQFOBUHMMQWSV-KRWDZBQOSA-N 448.545 2.138 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1595649573 RJIDQGSCUDWMSV-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccccc2)OC)C1 1595715466 WYNOENHBSHBRJL-AABGKKOBSA-N 425.533 2.268 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1596781372 AYXAMRJTJZBPMG-INIZCTEOSA-N 446.515 2.271 30 10 IEEE CC(C)COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1607723239 UHVVLOOZRDVSHA-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1609889353 GMEWDJLNVUTMQQ-QGZVFWFLSA-N 426.521 2.259 30 10 IEEE COC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1618907603 CQXVWSXYCPBAAA-UHFFFAOYSA-N 437.548 2.137 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1)OC 1619607174 KENDAEXDGLAGJS-RBUKOAKNSA-N 429.521 2.251 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCOCC(F)F)cc1 1620350264 GQEXQSKNUPYDGD-UHFFFAOYSA-N 445.474 2.092 30 10 IEEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 1622609033 AGOLHLUVXPGLEB-LJQANCHMSA-N 428.510 2.472 30 10 IEEE C=CCC[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1627751579 DQNJZPWFJZNPEU-OAHLLOKOSA-N 437.290 2.449 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)C2)c1 1630762566 XOYIFVYQFYKEFS-UHFFFAOYSA-N 439.324 2.466 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 1631110174 OPMWZSKCDZCBHL-MRXNPFEDSA-N 446.326 2.402 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 1632219508 XUYKYJVEXDSGFD-NRFANRHFSA-N 427.526 2.124 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1632533237 QMWLLGBRGWLOBP-QWHCGFSZSA-N 432.468 2.412 30 10 IEEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(Cl)ccc1OC(F)F 1633896130 DLJSPDJYJYFMPT-VIFPVBQESA-N 439.806 2.403 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)cc1 1637008203 QTYMEEWBEFGSKW-UHFFFAOYSA-N 432.546 2.379 30 10 IEEE CCCN(CCC)S(=O)(=O)N1CCN(c2ncc(C#N)cc2Br)CC1 1639878594 CUKZHFYCWLFSHW-UHFFFAOYSA-N 430.372 2.205 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CC(F)F)(C(=O)OCC)CC2)cc1 1647937674 PRAFUPDFDKOZDW-UHFFFAOYSA-N 442.484 2.039 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N2CCCCc3ccccc32)s1 1648160980 QDXLQAXZWMGYIQ-UHFFFAOYSA-N 447.582 2.241 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1 1648260762 GOXKUGDEMMQJGT-KNQAVFIVSA-N 426.494 2.272 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nn(C)cc1C(F)F 1648956036 KKXVLEFASOOXEI-AWEZNQCLSA-N 439.488 2.127 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cn(CCOC)c(=O)nc2O)s1 1650869555 SHWGOYKAUSGQKD-UHFFFAOYSA-N 444.966 2.064 30 10 IEEE N#CC[C@H]1CCCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1659394070 FSSSURMSNNYGNS-GOSISDBHSA-N 430.574 2.376 30 10 IEEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(C(F)(F)F)c1 1660037391 DYMZUBHRFHZWFH-IEBWSBKVSA-N 440.466 2.201 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)C2)cc1 1686398178 CMCRHWJAMYPMMU-HNNXBMFYSA-N 428.514 2.342 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NCc1ccccc1 1689830880 DFYYVXPYHPYHMH-WZONZLPQSA-N 425.533 2.095 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(O)CCOCC1 1689964233 IYSPBULRZHTQMG-UHFFFAOYSA-N 447.580 2.394 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC)CC1 1690411357 KOVJDPKKQNKIGT-GOSISDBHSA-N 431.562 2.425 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C)C1)c1ccccc1 1690442588 WNEAIFMTZCCWFK-ZHALLVOQSA-N 433.578 2.473 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690506594 TVPLGJNNJDNSDP-UHFFFAOYSA-N 425.537 2.309 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCC)cc1 1690680000 GDNFZRUFZRDHKD-IBGZPJMESA-N 449.577 2.070 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)no2)C1 1690711581 DEGSJDUGVAANBY-OAHLLOKOSA-N 428.518 2.396 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690749088 QSTIHLDTJWUZIP-MRXNPFEDSA-N 425.562 2.103 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1692668818 NUYXAFSEKDIUDN-HZPDHXFCSA-N 429.525 2.123 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCC(C#N)CC2)c1 1696935124 UBJBRPQGENHODG-INIZCTEOSA-N 426.521 2.150 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1705491895 JAVORTRYLTZDOL-YQVWRLOYSA-N 427.574 2.089 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705530070 SDGJOIZVRAOVOS-NRFANRHFSA-N 431.544 2.046 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(OC)nc1 1705556885 MHPNTIHJTPIOCB-UHFFFAOYSA-N 445.571 2.164 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705560980 PIILRGUWLCAFBU-GOSISDBHSA-N 432.594 2.106 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccnc(OC2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1705561121 NISNBVNYQCZSHL-LJQANCHMSA-N 443.573 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)OC)c1 1705572747 MUFZMPVSTSIUMQ-UHFFFAOYSA-N 443.467 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705599871 CDZYCMZLNBVOFM-UHFFFAOYSA-N 430.556 2.042 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCOC[C@H]1C 1705622355 GGWSSTNCJMXQFR-LJQANCHMSA-N 449.559 2.142 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705639487 PFHUOZOCMRBMED-MOPGFXCFSA-N 446.596 2.087 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1705674681 OGKNGTVGWDHUOT-HTAPYJJXSA-N 447.605 2.011 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1705711395 KCZDHOBYAGEPQV-UHFFFAOYSA-N 447.609 2.475 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705739284 ARLPOJPXQJMYSQ-QHCPKHFHSA-N 425.533 2.475 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)CC1 1705782356 VOLRFGJELIMSOO-MRXNPFEDSA-N 439.582 2.107 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1705833512 JEFOCPMSWIDKQK-UHFFFAOYSA-N 437.479 2.425 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705936688 WOQUQHXEUATDFF-DLBZAZTESA-N 426.583 2.024 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1C 1706982136 VPMQZXUAZOVOSR-IYWMVGAKSA-N 441.532 2.304 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)c1nc(C)cs1 1712648504 VWGXMVVOUPBOOF-HJWJTTGWSA-N 432.550 2.300 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1722365239 CSIOEYARONSVKM-XMSQKQJNSA-N 446.573 2.290 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1722441716 PADIKCLTWMNJNB-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722454307 BLUJDLAUYCNGOW-UHFFFAOYSA-N 438.605 2.096 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722459288 HHAJCRKFVHSIHQ-IAGOWNOFSA-N 440.635 2.331 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722606234 IMDXJEUAZNDUSO-OAQYLSRUSA-N 428.562 2.485 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2OC)C1 1722709753 XLOPMZAHNDLXBW-GOSISDBHSA-N 429.496 2.491 30 10 IEEE Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1724346593 FRBLGLBDEUQHCT-DQRAZIAOSA-N 447.499 2.328 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1726732426 DYWDJNUXMHDQFX-OPYAIIAOSA-N 435.532 2.045 30 10 IEEE C[C@@H]1COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1726753257 NIKWWONWZGCBKQ-VFNWGFHPSA-N 434.466 2.310 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1728450075 KDTYFXRABUSWOO-VXPUYCOJSA-N 440.552 2.153 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCC(C)CC1 1729034711 ZEGUQZJJTVVVQK-QGZVFWFLSA-N 439.564 2.470 30 10 IEEE COc1ccc2c(c1)nc(Cn1c(CN3CCCC3=O)nnc1N(C)[C@@H](C)CC#N)n2C 1730207759 HWPMXAYHFVZRGR-HNNXBMFYSA-N 436.520 2.082 30 10 IEEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1730514506 BCGUSKAOSCLOGO-JXFKEZNVSA-N 439.557 2.219 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sccc1C 1730763314 FHAZJNDQHCXEHQ-INIZCTEOSA-N 437.591 2.159 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@@H]2CCCO2)CCO1 1731187336 NNLNJFDYXVIGTM-VQTJNVASSA-N 429.496 2.322 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740620873 YOLFJRJMWAUXJG-KRWDZBQOSA-N 428.514 2.355 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740626618 XOKOILIKRISLQD-PBHICJAKSA-N 433.603 2.426 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740710557 ZFTBWBASEFCXLF-NRFANRHFSA-N 431.537 2.020 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740717454 SJUNQLYTXCVGNJ-UHFFFAOYSA-N 429.594 2.358 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)C1 1740763802 QHGURBLLNXXSJO-PGRDOPGGSA-N 425.533 2.391 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1)C1CC1 1740910378 NIMWMDNENGJSHJ-QGZVFWFLSA-N 429.546 2.342 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C)=C(Br)C1 1740952632 JUVCQAPFGLUSER-CQSZACIVSA-N 442.358 2.183 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2(=O)=O)C1 1740982507 WMYIVJORBUYMHZ-RTBURBONSA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(OCC2CC2)CC1 1740989281 HNHUQYPTPZRJLA-UHFFFAOYSA-N 431.562 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](COCC)C1 1740992600 RKUWLMCFMPMAEQ-QZTJIDSGSA-N 426.583 2.026 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1741129603 FQVKZYQGAGXLLJ-YDZRNGNQSA-N 444.559 2.462 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1741152006 GILDFUOYLMYJHP-QFIPXVFZSA-N 438.511 2.121 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N(C)C)cc1Br 1742205982 VCNKLHOVHXIELI-HNNXBMFYSA-N 447.337 2.223 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1748344355 DTWIADUIZGRONQ-HKBQPEDESA-N 442.545 2.006 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)no1 1748680384 RKAHLSFIBJPSOD-FQEVSTJZSA-N 433.560 2.445 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1748772850 QAEPAEGNSXKLIJ-NSHDSACASA-N 446.396 2.024 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2ccccc21 1748826061 LMMZIDZYEXTMHA-HKUYNNGSSA-N 425.558 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1Cl 1748875501 QKTNVFIYHZQGJI-UHFFFAOYSA-N 426.908 2.104 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1749201052 LLSKGMOPNPYDRI-LDSGZGKSSA-N 436.516 2.333 30 10 IEEE COCC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1749420331 FWDJLZYOAOQZBN-HXUWFJFHSA-N 441.532 2.338 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1749450492 JAWPPEUIHPAQOJ-GOSISDBHSA-N 440.548 2.442 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749672217 SVXJDDAIBPFKLR-XJKSGUPXSA-N 441.429 2.466 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCN(C)C2)C1 1749717073 GMVYDQHNPUFHAJ-GBXCKJPGSA-N 441.576 2.322 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1750001029 RIUGDVMJASALRP-UHFFFAOYSA-N 442.589 2.285 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCSCC1 1760102930 VEPDRVPZKWTEGE-MRXNPFEDSA-N 445.589 2.478 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1OCC(F)(F)F 1760165132 KBDKXYRXFMVNFO-LJQANCHMSA-N 439.438 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)N1CCOCC1 1760247858 SENBUKAIVOBEMJ-OAQYLSRUSA-N 426.565 2.091 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1760268550 TXOQNQFRSNUOPR-OALUTQOASA-N 437.592 2.359 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1760531505 QZBCAYDQHQOJEI-UHFFFAOYSA-N 445.589 2.362 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NC 1762094529 LMBJCXWPVZEWST-LJQANCHMSA-N 445.527 2.491 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2c(C)nn(C)c2C)CCOC1 1767448265 ABILIRQJNANIKE-FGZHOGPDSA-N 427.553 2.459 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCSC)CCOC1 1767473933 SDLFFXSWAAWQKA-RXVVDRJESA-N 434.610 2.250 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1768285260 DLASZEPLKGYFAS-HNNXBMFYSA-N 429.550 2.352 30 10 IEEE COc1ccc(COCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1770246236 BWCBGLSJFHCQMV-AEFFLSMTSA-N 447.561 2.001 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC[C@@H]1C 1770631316 KDZZOWYQNAEDDX-BBRMVZONSA-N 436.438 2.356 30 10 IEEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc1 1771234945 YOZPARNMLIHTJX-HXUWFJFHSA-N 438.532 2.433 30 10 IEEE N#Cc1ccc(CN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c2cnccn2)cc1 1851775721 KXKPGORZPWKVHL-UHFFFAOYSA-N 425.514 2.086 30 10 IEEE CC(C)(C)c1cc(C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)nc2ncnn12 1852104783 NKNUIBHFQKQJCS-UHFFFAOYSA-N 432.428 2.296 30 10 IEEE N#Cc1cnn2c(NC(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)c(-c3ccc(F)cc3)cnc12 1852622834 KWASLRYWZNTFBN-HNNXBMFYSA-N 448.458 2.373 30 10 IEEE COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4ccc(C#N)nc4)CC3)nn2)c1 1852794454 SZKYMNPEUAVSQQ-UHFFFAOYSA-N 430.468 2.390 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1=O 1854219752 RBYJMWYAADMDSE-HOTGVXAUSA-N 440.327 2.218 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC[C@@H](Cn4nccn4)C3)C2=O)c1 1855216035 PDUXREZSOAHXJG-APWZRJJASA-N 426.908 2.151 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC4CCC(=O)CC4)C(=O)C3)C2)s1 1856309505 QCFDRIJZJROQRA-KRWDZBQOSA-N 428.558 2.014 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCc3ccccc3)[C@H](C)C2=O)cc1C#N 1856330195 OOQNFHNGPCZIKG-QGZVFWFLSA-N 425.510 2.112 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CN(C(=O)CC(F)(F)F)C(=O)O2)CC1 1856350399 RUOUPHSHAQDOKE-AWEZNQCLSA-N 445.419 2.259 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H](F)CC3CC4(CCC4)C3)C2)CC1 1857043269 NBVZTRWUIKHNKS-ROUUACIJSA-N 439.553 2.235 30 10 IEEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1857225145 YAWPVGKLMFDLAO-MSOLQXFVSA-N 430.574 2.252 30 10 IEEE C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(-c3cccs3)c(O)n2)CC1 1859430049 SRFFVKNKGAUHNX-AWEZNQCLSA-N 435.513 2.327 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 1862629876 HDLQMHQBGAAYSW-GOSISDBHSA-N 426.381 2.284 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 1862630783 BJCFIMSTEZWTCN-HXUWFJFHSA-N 439.420 2.147 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862740686 GTXZONDEYBTCLJ-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)sc2c1 1865861824 IRKUSSOGDPBUPA-DPDCMNJDSA-N 433.511 2.222 30 10 IEEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1 1867408805 VONXADCVCOEWGV-HXUWFJFHSA-N 432.480 2.358 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(F)c(F)c2)cc1=O 1871009510 ZHVKPFYPMYFIIY-UHFFFAOYSA-N 433.436 2.446 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccncc1 1874431497 OLJJQPGSFWFENZ-AUEPDCJTSA-N 427.465 2.061 30 10 IEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cccn(Cc4ccccn4)c3=O)C2)c1 1891294634 MPZJNJPZUDTTBT-LJQANCHMSA-N 429.480 2.489 30 10 IEEE C=CCC1(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2010226423 AIHCHHFLENDFAO-CVEARBPZSA-N 439.553 2.286 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 2010227985 WBGYMDSXCKGWNE-YKSBVNFPSA-N 429.561 2.389 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2060636923 DSOCNEOZDGUBDA-UHFFFAOYSA-N 432.326 2.296 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068910782 FWKDSFDYILGLHR-RDJZCZTQSA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2085300204 IBCCXQYXEPAWPA-HUUCEWRRSA-N 439.362 2.230 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132683867 LTYXSIDXRUEZOS-UHFFFAOYSA-N 432.149 2.135 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@](O)([C@@H](N)C#Cc2ccccc2Br)C1 2227477396 QLNBHMWPOKRGGB-LPHOPBHVSA-N 425.323 2.126 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243422915 OATATNQYTHPWIM-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247859493 MXISCBDGNVLKIB-KGLIPLIRSA-N 438.355 2.069 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247962923 RUTDGLCFKNTSHQ-OAGGEKHMSA-N 442.387 2.491 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632667 PQSHEPDOKQOSIA-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267005674 IBTMBZWEKKFADK-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267097659 QUFYBRDJXWUFJL-QDMKHBRRSA-N 446.357 2.084 30 10 IEEE CCn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267180533 FXFXKHCCMXXBGO-LSDHHAIUSA-N 448.373 2.330 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2267486046 KDXOXKNFUYJZGF-SFTDATJTSA-N 438.333 2.485 30 10 IEEE Cc1c(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267507508 PJSOTHMQEDKZSM-MHECFPHRSA-N 436.365 2.032 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267509996 DVNOBDJVAGEYKR-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2267535259 UOEZZHSGHDSXLP-RUYXUALKSA-N 436.365 2.062 30 10 IEEE CCON(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2267620402 ITNDACWSPOVOPU-UHFFFAOYSA-N 447.341 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268708857 HJXUSFOQWZKJQL-SFHVURJKSA-N 446.353 2.104 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2298380362 HHVLJQVWYMVGSJ-OWCLPIDISA-N 442.387 2.491 30 10 IEEE CC(C=Cc1ccccc1)=NN=c1[nH]nc(SCC(=O)NCc2ccc(F)cc2)n1N 2313707919 ZZUYXHRVGMSEOL-UHFFFAOYSA-N 439.520 2.463 30 10 IEEE O=[N+]([O-])c1cc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)ccc1O 2328531564 JSDZFWJBAKIAAV-UHFFFAOYSA-N 444.429 2.358 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1 2329035103 SYWBLGMSEZQYEP-HNNXBMFYSA-N 431.518 2.158 30 10 IEEE COc1ccc(OC)c(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329045200 ASZKJQLAZGKCSF-MRXNPFEDSA-N 447.561 2.376 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337201956 BSVGPZFSHJSZLT-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NCCC#CCO 2343621514 SUVQRWMBVGLLDT-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE CC(C)(C#C[C@@H](N)[C@H](O)c1sc(Cl)cc1I)S(C)(=O)=O 2366653990 QQIQQFUEKHLXBU-SCZZXKLOSA-N 447.747 2.193 30 10 IEEE O=C(O)CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F 16741178 WSTCUESNIBAYAD-MTWHIWOOSA-N 436.433 2.172 30 10 IEEE N#CCCN1CCN(c2ccc(C(=O)O)cc2NS(=O)(=O)c2ccc(F)cc2)CC1 32961956 VJAALYYHWPYABV-UHFFFAOYSA-N 432.477 2.360 30 10 IEEE Cc1ccc(F)cc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887774 HSFYEGXVATUQSW-ZVBGSRNCSA-N 446.512 2.235 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)n(C2CCCCC2)c1C 434794207 DDQPXPGPMPHNBI-QFIPXVFZSA-N 426.521 2.094 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)CC2)cc1 435818474 PFKBPFDSENQSSL-UHFFFAOYSA-N 431.464 2.401 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C1=O 440263550 FRPUNAYDCZWVKZ-INIZCTEOSA-N 435.406 2.075 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCC(OCc2ccccc2)CC1 464857682 LGMGZHCAFPTGMI-LJQANCHMSA-N 434.544 2.067 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 478641417 QSGLERSLWFMRJB-UHFFFAOYSA-N 433.578 2.081 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@@H]1CCCO1 478756630 QPMMHGAEGZGJIY-HNNXBMFYSA-N 431.583 2.362 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@@H](COc4ccccc4)C3)C2=O)cc1 481536391 SSVFWACIXKUDGE-NHCUHLMSSA-N 448.479 2.070 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 504655686 SNUQXNIJRUZKMB-UHFFFAOYSA-N 432.527 2.067 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1S(=O)(=O)NCC#N 505172140 AMQVWAXLDLYNGN-GOSISDBHSA-N 441.557 2.350 30 10 IEEE C[C@@H](c1cccc(F)c1)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 537171206 UBKWMGSSRLVOBH-SJORKVTESA-N 444.532 2.270 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(C(=O)NC4CCOCC4)cc3)CC2)n1 546928120 NIAMLTHCHLAOST-UHFFFAOYSA-N 434.500 2.216 30 10 IEEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2nccn(C)c2=O)CC1 549654681 BTUWBWLSZBEBQW-UHFFFAOYSA-N 449.559 2.470 30 10 IEEE COc1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1C#N 564567436 JIDPVJCFKGOYMP-UHFFFAOYSA-N 432.458 2.108 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)c(F)c1 572026313 ZIPOQITVENVQRG-QGZVFWFLSA-N 427.455 2.211 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Cl)cc(OC)c3OC)N2N1 588226901 MULQVJJPLBDAEQ-LJQANCHMSA-N 442.928 2.419 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)c1ccc(C#N)cc1 740211701 VMUPIOKWYAITDD-IJRIMCCZSA-N 441.484 2.452 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H]1CCOc2ccccc21 742144279 CRFOBBJKYYWDCO-LJQANCHMSA-N 449.532 2.294 30 10 IEEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 744627660 WNMYUJXJBSMXSP-AEFFLSMTSA-N 447.557 2.086 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 756212019 KMXRPAXGLKGIKY-QGZVFWFLSA-N 446.504 2.038 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)C1 760300518 IUEKDFMOMOXCOK-DLBZAZTESA-N 447.536 2.230 30 10 IEEE CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1F 763713809 PLPOGQMEDDCRCE-UHFFFAOYSA-N 428.449 2.217 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2nc3cccc(C)c3[nH]2)C1=O 765545975 ZXJSVCGITSMJFC-JUZPYSENSA-N 436.541 2.445 30 10 IEEE Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 780178539 FCKRKYMVMFDEGB-HSZRJFAPSA-N 440.500 2.405 30 10 IEEE Cn1c(C2CCC2)nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=S 781564118 WGTZLBNTAFANBU-UHFFFAOYSA-N 432.575 2.054 30 10 IEEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 782807450 XMZXRKYWAVSXRM-CQSZACIVSA-N 444.479 2.473 30 10 IEEE COc1ccc(C(=O)CCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c(OC)c1OC 784813336 ADHWKBCXGGKOHH-UHFFFAOYSA-N 446.481 2.193 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCCC)cc3)cc2C1=O 785197814 CDWVYYUDGVMMDH-UHFFFAOYSA-N 428.466 2.376 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790583314 CBVOIIBBEJGKLU-QHCPKHFHSA-N 434.581 2.099 30 10 IEEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 798361425 COFPHTRIOHSQKH-RTBURBONSA-N 425.558 2.215 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(C#N)ccn3)cc2F)C[C@H](C)O1 803848860 KTDMISCDHBKUPW-GJZGRUSLSA-N 426.448 2.179 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)cc1Cl 813730029 LDCSMWQTFHCVMW-LBPRGKRZSA-N 439.852 2.374 30 10 IEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC#CC3CCCCC3)cc2)CC1 814092272 CAOZYICWENVEEJ-UHFFFAOYSA-N 432.542 2.280 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCc3c(F)cccc3F)cc2C1=O 918812059 BZVLVMKDPZJYPC-UHFFFAOYSA-N 428.391 2.263 30 10 IEEE N#Cc1cc(Cc2ccc(NC(=O)/C=C/C(=O)O)c(C#N)c2)ccc1NC(=O)/C=C\C(=O)O 1084138907 RADVZTXUWRECKM-CGXWXWIYSA-N 444.403 2.179 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)CC2=O)cc1 1117506498 WPUZWRYPBXQAPL-OAHLLOKOSA-N 439.903 2.314 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C#N)s1 1142519089 JJYXMSIZQLDQRY-MRXNPFEDSA-N 439.946 2.123 30 10 IEEE CO[C@H](CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1154357531 LBHSIBLXVXXTJN-OAHLLOKOSA-N 435.468 2.369 30 10 IEEE COC(=O)c1cnc(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)s1 1157907218 OCHOENGCTABGSP-GJGORFQUSA-N 448.545 2.375 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCN3C3CCOCC3)C2)C1 1178942671 XUJAXRFGSSMCHS-DDPYSOHJSA-N 432.565 2.143 30 10 IEEE CCOc1ccc([C@]2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2(Cl)Cl)cc1 1180999751 FCOQJVJQDSZMHB-IBGZPJMESA-N 449.294 2.118 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CC2)c1 1253450719 DQHBUDMLMQAQPD-FQEVSTJZSA-N 438.532 2.208 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1286386816 HYBKWQWVXRZLQS-IRXDYDNUSA-N 431.587 2.110 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1286389168 GRMIKOJTONJRGM-YLJYHZDGSA-N 434.587 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(OCC(F)(F)F)nc1 1286406892 LCUQQYQMMGQXHA-UHFFFAOYSA-N 427.390 2.192 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCCCC1 1286414059 RFJXQRRTMWVONK-UHFFFAOYSA-N 433.560 2.220 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1286436952 BZJNHXCXNDMSOZ-QHCPKHFHSA-N 435.532 2.407 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635465 SVIDYYCYUUVXAJ-GHTZIAJQSA-N 439.988 2.372 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286713928 HYUQNDBLACJYPG-KRWDZBQOSA-N 444.511 2.145 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1286779755 WLWHBMPHUZCUEM-JXFKEZNVSA-N 443.552 2.458 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCC2)C1 1286811723 HGOKKBJSRUAEMC-SFHVURJKSA-N 431.562 2.013 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCC#Cc2ccccc2)cc1 1290475994 RSXZOTKYHILCAY-RBBKRZOGSA-N 426.538 2.102 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)cc2OC)CCOC1 1296663413 ICBYPGMAHKPRDT-XMSQKQJNSA-N 427.505 2.024 30 10 IEEE CN(CCCN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)Cc1ccncc1 1298846599 NQXPKFHZHVSAGR-NRFANRHFSA-N 448.527 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300570068 FETQIKFVMFSHJB-LJQANCHMSA-N 430.487 2.286 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(CC)(CC)OC)CC1 1300719733 OBQYTAJFMHWCBP-UHFFFAOYSA-N 426.565 2.455 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300776857 NTYXWJNXAILHCB-KDURUIRLSA-N 430.530 2.184 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2 1300843982 IPOYRLFFONYKPG-AWEZNQCLSA-N 440.342 2.260 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300990055 BGLFQWRYKYYMBX-OAHLLOKOSA-N 443.426 2.366 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1301109453 JGDHQMDIDBGOOQ-RDPSFJRHSA-N 446.640 2.359 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301575799 KOHHMNRIMUHKEU-APWZRJJASA-N 434.562 2.416 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C 1302251600 WBBYYWMLHUJJKB-LLPLAXKASA-N 441.532 2.050 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1)C1CC1 1302459960 IGMQKLOVERDMMC-UHFFFAOYSA-N 440.573 2.092 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2CCc3c(CC#N)cccc3C2)sc(C(N)=O)c1C 1307976543 VICWBHNIFRHJGE-UHFFFAOYSA-N 440.525 2.395 30 10 IEEE CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1312575670 GWBDEKODQBGGRP-INIZCTEOSA-N 431.493 2.282 30 10 IEEE COCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1316068096 FFICLRAONHDJLM-UHFFFAOYSA-N 426.521 2.034 30 10 IEEE C=CCN(C(=O)CCc1cn(C)nn1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1351497892 CRRQIRDFXLJWOP-UHFFFAOYSA-N 431.543 2.494 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)C(C)C)CC1 1359032566 SQVDPIREMJVOIH-UHFFFAOYSA-N 444.967 2.135 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)N(C)C)CC1 1359037407 IGCKCQQZYSGKRV-HXUWFJFHSA-N 435.601 2.384 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1359157501 LHMPLBZOXBGGCU-RDJZCZTQSA-N 438.960 2.139 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1359238712 UQSVHISUAWTLJG-QHCPKHFHSA-N 435.532 2.166 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN1CCCS1(=O)=O 1359263911 PPYHZEQPXXGYEW-MRXNPFEDSA-N 437.591 2.072 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC[C@@H]1OC 1359279531 KKDCIRASAWQCDO-PXNSSMCTSA-N 430.505 2.364 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359292111 IKTYNEACEJWKCQ-GJYPPUQNSA-N 447.511 2.100 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)nc2)C1 1359315753 AVWFUUUQDNKJKB-MRXNPFEDSA-N 439.907 2.317 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)F)C1 1359323935 ZRXGHAFOKOWIFQ-ZDUSSCGKSA-N 441.429 2.310 30 10 IEEE Cc1cccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1361061122 DWECFBCUSRCDBC-HYHOCUEZSA-N 436.516 2.253 30 10 IEEE C#CC[C@H](COC)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1438152755 JPOXKEQKQUZHEK-CHWSQXEVSA-N 427.452 2.166 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1471515635 HDNHSOZKBLITDT-KURKYZTESA-N 426.521 2.325 30 10 IEEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1497446569 GSGBSVSGBWGKJG-GOSISDBHSA-N 431.562 2.239 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC(C)(C)C 1503461505 CVOYZTODRUUZQQ-UHFFFAOYSA-N 437.548 2.327 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507552255 MWFIIDXPOONUEJ-UHFFFAOYSA-N 430.553 2.375 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CC=CCC2)C1 1507588372 LFJOPGUVEZZIED-DENIHFKCSA-N 447.605 2.351 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1507632101 WTVFBJOOAMQCAI-SFHVURJKSA-N 431.562 2.092 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633819 ILHWRYJHTNKVPC-XXBNENTESA-N 444.601 2.401 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507636011 XDJTZDVCLPZJKX-OAQYLSRUSA-N 447.649 2.369 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1507678968 FNGQOGSMJHOJSB-MRXNPFEDSA-N 446.577 2.113 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1507687076 KVCDGGOITQQGGF-WJOKGBTCSA-N 440.573 2.199 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1507700131 OCEPMOIOWQSWIT-KSZLIROESA-N 433.553 2.350 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCC[C@@H]2CC)CC1 1507716947 WTOKFXKGOBZXPL-NRFANRHFSA-N 443.640 2.216 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCn1cccn1 1507810076 ZDZALLCNLPQFKJ-WCIQWLHISA-N 430.553 2.316 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1507850258 DQCCQLZHMVARTD-UHFFFAOYSA-N 446.914 2.368 30 10 IEEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1507958795 YWMJCHPNMSDOFQ-INIZCTEOSA-N 438.525 2.385 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1507964544 CAXYMIVNZCBUMV-FQEVSTJZSA-N 440.552 2.044 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1508092514 ZMAZQKWIPNUGQW-MRXNPFEDSA-N 446.502 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)CC[C@@H]1C 1508131679 OWXVAQMGKXBETO-CVEARBPZSA-N 432.550 2.151 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 1512357300 AUTJEOKLEVGLJH-QGZVFWFLSA-N 430.516 2.381 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1513754507 GVLPQLCESMXNNZ-UHFFFAOYSA-N 437.573 2.292 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1516978781 DHAZXNFVPHGHFA-OXJNMPFZSA-N 431.541 2.320 30 10 IEEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 1526512621 UMCBZUKXPJSHJA-UHFFFAOYSA-N 431.341 2.500 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(c4ccc(F)cc4C(N)=O)CC3)C2)c(F)c1 1529923320 FBVUYWFMENLQGP-MRXNPFEDSA-N 439.466 2.110 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)Nc3ccc(Br)c(C#N)c3C)CC2=O)cn1 1536981413 PHVDSSXFJLELQA-CYBMUJFWSA-N 446.305 2.464 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1538963759 GMVAMNAVHHGMFI-YCRPNKLZSA-N 431.924 2.125 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538987149 QXXLWVPEIFKZGD-UONOGXRCSA-N 439.944 2.477 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1539132898 CVXMYNCRWXFKNU-UHFFFAOYSA-N 431.924 2.219 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 1539269460 QUGMWLOZEACEMW-CTNGQTDRSA-N 431.558 2.280 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCc3ccccc32)CC1 1539466626 DPUWGUSHNBTIJQ-HXUWFJFHSA-N 448.571 2.112 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1540027834 CDAGPDRFBNNUFQ-MRXNPFEDSA-N 427.505 2.324 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1540308056 HZNPUHJKZDRSLT-HNNXBMFYSA-N 431.942 2.029 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2N2CCN(C)CC2)s1 1540586352 SRTRFYGBBRILOX-UHFFFAOYSA-N 434.587 2.145 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1540863572 YKTCJXLQTNCINY-INIZCTEOSA-N 430.557 2.093 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540872758 ZROGMGDLKACENO-HNNXBMFYSA-N 427.402 2.078 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540875352 IYEJQOWVEIOJNP-GOSISDBHSA-N 439.495 2.373 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1541107342 IVZSZKXCZQWUPI-LSDHHAIUSA-N 432.506 2.274 30 10 IEEE CCOCn1nc(C)c(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1C 1544463345 VWYWSCQJAFLXLM-HIXSDJFHSA-N 447.561 2.488 30 10 IEEE Cn1cc(I)c(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)n1 1545015735 LQLULBCROWNVKT-UHFFFAOYSA-N 432.225 2.393 30 10 IEEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1554136452 UASYZLJSKACIPU-UHFFFAOYSA-N 436.520 2.422 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)C(C)C 1554666683 FJPGBABPZMBELW-FQEVSTJZSA-N 440.548 2.492 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C[C@@H](C)O1 1555403731 AVSKEJQODNJAGH-CRAIPNDOSA-N 440.529 2.474 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@]2(CCSC2)C1 1557145490 HWOJVGXNWDMITO-HXUWFJFHSA-N 437.587 2.020 30 10 IEEE CSc1nc(C2CC2)cc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c1C#N 1557311582 UXKMGCJFRWFELI-UHFFFAOYSA-N 430.530 2.179 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1558816721 HPPBDOHOWCGCGO-UHFFFAOYSA-N 444.513 2.389 30 10 IEEE C[C@@]1(C#N)CN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCO1 1560182273 GYCKTTKRKNVPCT-LJQANCHMSA-N 440.953 2.068 30 10 IEEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)OCc1ccc(C2(C#N)CC2)cc1 1583524961 ZRGKQJCLPLIBOS-UHFFFAOYSA-N 447.534 2.417 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)s1 1583811975 ONCWGJINHGNIRP-UKRRQHHQSA-N 428.576 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1587662155 LPBLRMPWWMXWNC-LEWJYISDSA-N 449.603 2.069 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1587749431 HRTIYOULHQGADZ-INIZCTEOSA-N 439.545 2.383 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1588064191 CMZIZIIXOLNOJI-IBGZPJMESA-N 441.582 2.309 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1COCCO1 1588445348 LFCQJBKNHSPFGG-QGZVFWFLSA-N 435.322 2.495 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1588458597 HPGMHMWKOCUUEL-JLHGSKIFSA-N 433.553 2.350 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1588968410 LDHXRLRVBPYYJX-FQEVSTJZSA-N 444.624 2.148 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593683242 JTIAXVRFUBAOCF-QFIPXVFZSA-N 432.569 2.233 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@@H]1OC 1595115164 FNPROMLUKLIFSL-UFYCRDLUSA-N 425.533 2.473 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1595818886 ZTYVIONLLWHCKQ-IBGZPJMESA-N 430.526 2.284 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1595844574 DNJRFZGTSKOQDR-WMLDXEAASA-N 431.653 2.141 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1597052958 BQNCDXMWKBCBQQ-RDJZCZTQSA-N 428.485 2.440 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1597813591 ZDFXGQZXGRSYFL-SFHVURJKSA-N 432.571 2.205 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1598122801 BMHAIOQIDAPDFH-UHFFFAOYSA-N 447.547 2.097 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)OC 1613656368 GVTVJMZQTNOWHS-GGPKGHCWSA-N 438.532 2.116 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615909416 UIHKTXYMUYKINJ-UHFFFAOYSA-N 446.515 2.037 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1617913753 XXJBBUHBRJCZKG-GOSISDBHSA-N 432.483 2.019 30 10 IEEE CN(Cc1ncnn1CC(F)F)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1618706449 QMRIRUMZEVMOQA-DMAKZNTKSA-N 438.479 2.288 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1619615721 JCNWVBPJPALEIJ-LJQANCHMSA-N 439.495 2.420 30 10 IEEE COc1ccc(CN2CCCN(C(=O)CN(C)C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1619904247 BXHNSLHLBHPDCA-XMMPIXPASA-N 436.556 2.267 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1=O 1619937337 HKFKAYPZULSOFV-LJQANCHMSA-N 440.573 2.397 30 10 IEEE C#C[C@@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(Cl)c1 1625160603 KQTPDNBJVPVMTQ-INIZCTEOSA-N 436.917 2.044 30 10 IEEE CC(C)(c1nnc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)o1)S(C)(=O)=O 1625203465 LXQBUAVLZIWTJJ-NSHDSACASA-N 427.280 2.106 30 10 IEEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1630457623 GWCJKPKRDJTLHC-MUUNZHRXSA-N 436.511 2.152 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)C(=O)[C@H](C)C3)nnc12 1638899928 MOPODVDIYILDQU-ZIAGYGMSSA-N 425.514 2.006 30 10 IEEE COc1cc(F)c(Br)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1639402842 FZJMWJPBPFMZQZ-UHFFFAOYSA-N 442.266 2.385 30 10 IEEE COC(=O)[C@H]1CN(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 1653917826 FKAQSAGDVXHLLF-SFHVURJKSA-N 429.565 2.457 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1668748147 FTUYOJPSROJUGR-ZDUSSCGKSA-N 432.456 2.232 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1673303830 MSCYZUICUQRSON-YLJYHZDGSA-N 437.562 2.373 30 10 IEEE CC(C)(CC#N)CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1673508158 JFQVYAUEVXNUPF-XHSDSOJGSA-N 435.525 2.150 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1 1686549225 ZUFNJDQKYQORSA-PZJWPPBQSA-N 426.561 2.221 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1690124585 OMEXIKLYHLCBFU-WIYYLYMNSA-N 442.995 2.494 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)C(C)=O)CC1 1690154595 TWNHDFPXZYIRNX-UHFFFAOYSA-N 434.610 2.010 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690181495 ZZAARNXTXRBCBQ-SFHVURJKSA-N 425.558 2.077 30 10 IEEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)NC)CC1 1690369310 FUEZZXTUVHBYIF-UHFFFAOYSA-N 440.367 2.413 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)c1ccccc1 1690442149 NKIYNQFOLYBUAX-VAMGGRTRSA-N 436.560 2.491 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1690609146 FDUWZJKKIYDLNH-IEBWSBKVSA-N 449.577 2.382 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCCO[C@H](C)C1 1690726564 DQDFZBIEGZXHHQ-GOSISDBHSA-N 443.573 2.497 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690748788 HNGRFXQMEINKAW-ICSRJNTNSA-N 428.606 2.340 30 10 IEEE CCN(CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1695659058 GTTDTRFFQKNYNQ-QFIPXVFZSA-N 431.585 2.003 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1696229987 APTZJMSVSBPGEW-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)ccc1Cl 1697269501 NUNSXCFJWBRUIG-OLZOCXBDSA-N 440.957 2.194 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(C(F)(F)F)c1 1698171296 POYQQKGTVDNGFC-ZFWWWQNUSA-N 440.426 2.193 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705566503 NTLYJSBFCLVZHB-UGKGYDQZSA-N 446.548 2.219 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(C)CCCO2)CC1 1705636224 BVIISIHKGPNBJR-HSZRJFAPSA-N 425.533 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705644068 GHLQLQLTUAFUBI-KRWDZBQOSA-N 449.621 2.115 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705900540 HNMCQHLRBNFXNZ-LJQANCHMSA-N 440.596 2.073 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705942686 AKIVVMCEVNGDBG-IBGZPJMESA-N 442.593 2.317 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1C 1706982137 VPMQZXUAZOVOSR-VNTMZGSJSA-N 441.532 2.304 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1710499150 GNLCUKRFKHTSII-HOTGVXAUSA-N 434.566 2.382 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1710965037 BLYXNDRENHJDMT-LJQANCHMSA-N 442.589 2.393 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1711975328 ANCUFGIHDVWMET-OAQYLSRUSA-N 447.536 2.144 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1722373385 IHJOXNGAGPVMHT-HSZRJFAPSA-N 439.491 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1C 1722388934 BDYNNDWJUGWBBW-OALUTQOASA-N 443.573 2.127 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCOCC1 1722403230 NMPJFZFPPLWTMD-OAQYLSRUSA-N 436.560 2.047 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)N2CCOCC2)CC1 1722434883 ZAJNMWCWVSFMLU-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cccn3)cc2)CC1 1722559689 FIUUJBGJOZCDSS-QGZVFWFLSA-N 441.561 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)CC1 1722729914 ASYFGGSKOWFWFD-UHFFFAOYSA-N 437.635 2.309 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)N(C)C 1723244572 AXALMXFHHYCAND-VQTJNVASSA-N 436.564 2.007 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1724870812 RQSXUWIBOBCXFF-SFHVURJKSA-N 427.530 2.320 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N(C)C[C@@H](C)C#N)c1 1729734907 DRVMUNGWHPQJEP-HNNXBMFYSA-N 444.586 2.483 30 10 IEEE COc1ccc2c(c1)nc(Cn1c(CN3CCCC3=O)nnc1N(C)[C@H](C)CC#N)n2C 1730207760 HWPMXAYHFVZRGR-OAHLLOKOSA-N 436.520 2.082 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CCO1 1730608718 FHLALCYWCDYCGP-OAQYLSRUSA-N 440.548 2.066 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ncccc2C)c1 1740563300 SALFXDFSVSJRPS-LJQANCHMSA-N 443.511 2.037 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cc(C)cc(C)c1 1740647986 ANVKNBCJQQXPMK-LJQANCHMSA-N 443.573 2.047 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1snnc1C 1740653607 RIJGFZZOKDAIQK-UHFFFAOYSA-N 430.497 2.265 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(C2COC2)nn1 1740681884 XUYKPKFTFNQBQF-UHFFFAOYSA-N 445.886 2.035 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)c1 1748650729 CTRIDURXCDXGEZ-MRXNPFEDSA-N 426.546 2.173 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1748656446 REKDNAJFPDJCCN-QGZVFWFLSA-N 427.549 2.267 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1748809101 QETPYZZDUOBVQF-KRWDZBQOSA-N 432.546 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@H]1OC 1748847188 PFGBOXIVMLTYGS-LEWJYISDSA-N 433.560 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748889644 BVDNKSWBNVBYIB-UXHICEINSA-N 448.575 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OC)CC1 1749009183 GCLWMMIGRFEBMB-HXUWFJFHSA-N 437.544 2.195 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1749380820 AMTBCUVVOMUHOB-FQEVSTJZSA-N 447.543 2.390 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCCCC2)C1 1749721989 YHQIHHSAEZSBBZ-ZJOUEHCJSA-N 447.580 2.186 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1750090641 PTKRVXIATDNUSC-HOTGVXAUSA-N 429.546 2.421 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1750101822 WQOGEBRWXKVGLA-UHFFFAOYSA-N 448.531 2.351 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1751255173 VZYNAJRDMJGMRH-DLPLYFIVSA-N 430.459 2.477 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)[C@@H]1C 1752458838 JNSNNQCZGOKGLC-CPUCHLNUSA-N 439.545 2.135 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760108762 KMWZSCLPJJZPCG-ICSRJNTNSA-N 438.576 2.354 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760168735 NOFINYPTSBOGNA-VQTJNVASSA-N 438.557 2.090 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1760171316 ADACIGAXXJSPMN-DFYVNMARSA-N 435.594 2.373 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1760235524 PKMWHPOPCVQABG-SFHVURJKSA-N 443.552 2.136 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1760257027 ZAPGLSNEHCHWEN-ICSRJNTNSA-N 439.560 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(C(N)=O)CCCC2)CC1 1760271557 BTZNYBMXWVUYHY-UHFFFAOYSA-N 440.592 2.022 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760358060 QWVADZXYEIBLJZ-FQEVSTJZSA-N 425.533 2.337 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccnc1N1CCOCC1 1760504059 UPAVKOYVXAAISC-HXUWFJFHSA-N 442.564 2.438 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCSC1(C)C 1761477378 CTKQGDXUXDGNBT-UKRRQHHQSA-N 426.612 2.160 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1761544673 ITECJXRJFUDVPS-XLIONFOSSA-N 448.618 2.484 30 10 IEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1769200754 HRJQDTCVUPSAHC-QGZVFWFLSA-N 448.531 2.224 30 10 IEEE COCC1(C)CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769304109 IGBSZZQPXMDUJA-ZZEZOPTASA-N 428.537 2.325 30 10 IEEE CO[C@](C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1769535038 CLNYIVHGNZRQSS-HSZRJFAPSA-N 438.532 2.103 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1769658206 DZCKTJAKQFBIIA-RTBURBONSA-N 425.537 2.046 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1C[C@@]1(O)CCO[C@H]1C 1769822353 CQIHKWRXYATZKC-SBUREZEXSA-N 425.533 2.295 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc(OC)nn4)CC3)n[nH]2)c1C 1848699334 YBTYASLSRWZBQF-UHFFFAOYSA-N 436.520 2.227 30 10 IEEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(C)C)[C@H]1CCN(C)C1=O 1849206092 XYUVDOQTZUDNFF-IRXDYDNUSA-N 445.944 2.027 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3F)C2)CC1 1851071011 RRMQIDFDIQHQMQ-HNNXBMFYSA-N 427.867 2.447 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1C 1851520490 GXQGBLDKWADFSZ-NRFANRHFSA-N 447.539 2.288 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 1852080299 GFJADZAUNKPTKE-PMACEKPBSA-N 435.484 2.132 30 10 IEEE CN1CC[C@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccc(F)cc2)C1 1852536461 IXNHVRTZJOKVFI-FXAWDEMLSA-N 446.500 2.414 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)CN1S(=O)(=O)c1cccs1)[C@@H]1CCc2ccccc21 1852878815 UIVJGGMFJJWQIG-MOPGFXCFSA-N 428.535 2.230 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(C#N)c2F)CC1 1852943866 IMCQLNYGTIHBJC-CHWSQXEVSA-N 434.443 2.490 30 10 IEEE Cn1ccnc(N2CCC[C@H](N(Cc3ccc(F)nc3)C(=O)c3cccc(C#N)c3)C2)c1=O 1853537151 LHKAKKOYYAGCLR-FQEVSTJZSA-N 446.486 2.497 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3c(F)cccc3Cl)C2)C1 1856390449 AQVUMQKYCVKEFA-ZDUSSCGKSA-N 428.851 2.498 30 10 IEEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1857374133 WQKMKRZIYOXODC-HXUWFJFHSA-N 431.558 2.302 30 10 IEEE COc1ccccc1N1CCN(C(=O)[C@H](C)CS(=O)(=O)Nc2cccc(C#N)c2)CC1 1858110904 ACBMVTAJTGHUDU-QGZVFWFLSA-N 442.541 2.293 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)c2ccccc2)cn1CCO 1870413393 XFZYETKHNVXRFA-LJQANCHMSA-N 425.529 2.271 30 10 IEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535466 BKMSCOZTRZNQLS-UHFFFAOYSA-N 445.527 2.108 30 10 IEEE Cc1nc(I)c(I)n1CC[C@](C)(N)C#N 1928096932 CNUWZXAXUUCWBG-VIFPVBQESA-N 430.031 2.032 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCOC1 1964925955 VRNSDSOILZPCCA-HBMCJLEFSA-N 442.560 2.400 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2010228068 XEDSYVOGGXPHMD-IXDOHACOSA-N 439.553 2.027 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2011680699 FCZGFEQNURQDSA-QFIPXVFZSA-N 439.553 2.336 30 10 IEEE C[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2060636761 BFXLTIKTHGBLQW-DZGCQCFKSA-N 432.330 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]2C[C@H]21 2124541390 SBBBRXGVRJXTGF-ZIACGZRISA-N 444.341 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H]1CCOC1 2141677904 KLKTWEMXMSSYGH-PBHICJAKSA-N 447.341 2.249 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cccc(C#CCO)c1 2145939153 PHIYUNPSMOLLKT-UHFFFAOYSA-N 426.494 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2232314956 ZUELFXHVBMCNHV-SJORKVTESA-N 445.369 2.453 30 10 IEEE CN(CCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243684633 DGEVFMWJPCSPEP-UHFFFAOYSA-N 425.360 2.316 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248403291 FPHSUUQHDKLXFE-SWLSCSKDSA-N 440.371 2.110 30 10 IEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627364 RNWQYLJQSUAWKI-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE CCc1nc(C(=O)N(CC(=O)NC)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2255644057 ZBFRZXYPEGHADL-UHFFFAOYSA-N 443.378 2.393 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825767 FNHMUOAAUPNJLW-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255838515 HJQMMWZGAUDGQU-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)F)ncc1B1OC(C)(C)C(C)(C)O1 2256678249 MFUICLASZGLPRC-SMDDNHRTSA-N 438.309 2.274 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2267011089 YMRIRAUDLHAWCW-CQSZACIVSA-N 448.373 2.237 30 10 IEEE Cn1nc(C(=O)NCC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130847 TUIVNOZLSHNARH-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267135403 CCKFVCKYCWAWPM-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265829 LBNINKORRCSYTL-GDBMZVCRSA-N 446.357 2.199 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C 2267497059 INFOWBJNBZDOED-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CC2 2267524685 UAKWXYCHXOOQAF-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881559 IMUKFYFWQPCPGJ-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2268612945 MLQYWZZCRPIZGC-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268638847 KURHVZJDGPGCSY-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(C#N)c(Br)c1 2335426095 MVIXNCMEHCKFFU-CYBMUJFWSA-N 446.323 2.197 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(Cc2ccccc2)C1 2337200882 OENCISAEJKRRHS-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE COc1nc(O[C@]2(CN)CCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339830743 AQEQXRANHZIIEY-DEOSSOPVSA-N 439.365 2.372 30 10 IEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)NCc2ccc(F)cc2)c1=O 21655886 ZYXYNRIEIXDGLT-UHFFFAOYSA-N 445.520 2.107 30 10 IEEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 71530732 ITAQQBSYBCTULR-OAHLLOKOSA-N 426.535 2.248 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(C)cc2)[C@@H](C#N)C(=O)N3)C1 72445769 GRRMIJSRBSKMSF-ZACQAIPSSA-N 435.484 2.082 30 10 IEEE COc1cc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCO)cc(Br)c1O 102692093 ONTJHRYHQTWMMD-UMWKZLPKSA-N 438.230 2.170 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(C)cc2)C1 203567696 GRRMIJSRBSKMSF-IXDOHACOSA-N 435.484 2.082 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 410293759 LVAKZVHQICIPMI-UHFFFAOYSA-N 437.548 2.205 30 10 IEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C1CC1 431229714 GAIRMRIPZDKIEC-ZDUSSCGKSA-N 445.610 2.258 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 446190447 BRGSFKIZYXUXMZ-UHFFFAOYSA-N 445.483 2.038 30 10 IEEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3cnn(-c4ncccc4C#N)c3)cc12 461746604 GEOUQMPCYZTCKN-GFCCVEGCSA-N 434.485 2.153 30 10 IEEE C=CCn1c(COc2ccccc2OCC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508494290 OJJBYHGAGWLFCD-GAJHUEQPSA-N 442.516 2.458 30 10 IEEE CCN(CC)C(=O)C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508638814 LEOYLNAFPRPIIO-HXUWFJFHSA-N 425.533 2.344 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(n2cc(C(=O)OC)nn2)CC1 508869195 ZIDDBHNFECGRGJ-LJQANCHMSA-N 435.488 2.360 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C)cc1 523815185 YKTBFUBJUSBYAX-ISKFKSNPSA-N 432.524 2.431 30 10 IEEE CN1CCN(c2ccc(-c3noc(-c4ccc(-n5ncc(C#N)c5N)cc4)n3)cn2)CC1 545602040 SSDBDJSGFFFMGG-UHFFFAOYSA-N 427.472 2.190 30 10 IEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)CC)CC2)nnc1C(F)(F)Oc1ccccc1 549666810 FMWDJWYJWOSOOJ-UHFFFAOYSA-N 441.504 2.454 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(F)c1 557849362 NPZSCTQVTMSMHM-ZIAGYGMSSA-N 433.436 2.034 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1C 564379931 VFIBDOROSGGAHJ-OALUTQOASA-N 431.562 2.447 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 580780739 CCKAKTJSFCWLKM-CQSZACIVSA-N 426.281 2.393 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 585757200 WNKCBJBOACGHOW-UHFFFAOYSA-N 440.407 2.186 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CNc2ccc(-n3nnnc3C)c(OC)c2)nc1C 586317473 CYHSKSDQUKQHII-UHFFFAOYSA-N 443.489 2.138 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)NCc3ncn(Cc4cccc(F)c4)n3)CC2)nc1 614813460 XRSVLMXFHUJJKF-UHFFFAOYSA-N 434.479 2.200 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 741448583 BRKLMESXJRWGSU-SFHVURJKSA-N 434.537 2.247 30 10 IEEE COc1ccccc1-n1cc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)cn1 744290435 YFFGDRLDPRPRLF-CQSZACIVSA-N 426.454 2.025 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 757436760 JHHSUFQOSSEGCJ-PUCZYUMASA-N 438.480 2.420 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC[C@@H]2COc3ccccc3O2)cn1 764877946 HQEWDGVYRICKJW-QAPCUYQASA-N 443.529 2.201 30 10 IEEE COC1(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CCN(C(=O)OC(C)(C)C)CC1 777320212 WXTQPVJNDAOZAR-UHFFFAOYSA-N 437.518 2.088 30 10 IEEE CC(C)N1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(F)c(F)c1 779350926 HPUKKAPXAVISQA-NCJRZWPZSA-N 447.486 2.314 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC1(OC)CCC1 779752456 FFDQHICZCZBNMU-GOSISDBHSA-N 448.589 2.264 30 10 IEEE CC(C)(C#N)CNC(=O)C[C@@]1(C(=O)NCC(C)(C)C#N)CCN(C(=O)OC(C)(C)C)C1 782100788 JJFQBBMFSWMEJG-QFIPXVFZSA-N 433.553 2.336 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2ccc(Br)cn2)n1 789966141 DXHPFQLJWHTWHH-AWEZNQCLSA-N 448.350 2.465 30 10 IEEE NS(=O)(=O)c1ccc(N2CCC(C(=O)OCC#Cc3ccccc3)CC2)c([N+](=O)[O-])c1 791295207 IIWSKRVGPDDMCU-UHFFFAOYSA-N 443.481 2.054 30 10 IEEE C=CC[C@]1(C(=O)OCCc2c(C)nc3nc[nH]n3c2=O)CCCN1C(=O)OC(C)(C)C 791873946 LFWRDRNDUXKMLC-OAQYLSRUSA-N 431.493 2.158 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCc1c[nH]c2cccc(Br)c12 812037972 CMLFUYNCYDIBOZ-ISLYRVAYSA-N 446.305 2.299 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1 813983842 FAIFITBUOWRRGU-RLLQIKCJSA-N 438.509 2.232 30 10 IEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](/C=C\c3ccco3)N2N1 1082989754 SWQOFVCTLSJAKO-IOBAAEILSA-N 443.326 2.445 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccccc2O)n1)Nc1ccc2c(c1)OCCO2 1084525856 DAKBKNVKEXZPLK-UHFFFAOYSA-N 426.458 2.458 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc(Cn3ccnn3)c2)cc1 1125135696 LSCPGTQSQAEAGU-HIXSDJFHSA-N 438.513 2.392 30 10 IEEE Cc1nn(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c2ncccc12 1136200204 SLBWYTSUVYUHRZ-UHFFFAOYSA-N 432.463 2.267 30 10 IEEE COCC[S@](=O)Cc1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1136810175 SBSFUUBFXGQHGD-NDEPHWFRSA-N 438.502 2.270 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1 1140896105 LURXPYOHEFZTIA-IBGZPJMESA-N 425.554 2.192 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Oc2cc([S@@](C)=O)c(C)cc2OC)s1 1142671232 CPYBIGAGWIWHQN-HHHXNRCGSA-N 443.568 2.415 30 10 IEEE COC(=O)Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]c2ccccc12 1149176004 FIXXPUNQZUPFOK-AWEZNQCLSA-N 426.473 2.468 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1157761311 VQGRTUSAQGKTFL-MRXNPFEDSA-N 446.979 2.484 30 10 IEEE C=C(C)C[C@@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)OCC 1183550514 IYCZYJSDQJQMTK-HXUWFJFHSA-N 437.562 2.286 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2CCS(=O)(=O)c1ccc(C#N)cn1 1198186161 ROXAIHGCCHSDCQ-DYESRHJHSA-N 434.562 2.496 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1)C1CCOCC1 1253349236 ZUWDRKJATNZQGU-HXUWFJFHSA-N 439.516 2.001 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1OC 1286433384 SGKUQSSYLXRNMJ-UHFFFAOYSA-N 441.532 2.242 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC 1286441530 YRYMXFAPONRFJT-UHFFFAOYSA-N 429.488 2.222 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccco2)N(C)C)CC1 1286664028 SEWQAQDECRZXFR-QZTJIDSGSA-N 433.578 2.479 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286784271 ZXRQKEZQEYGWOR-AAEUAGOBSA-N 444.845 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1286825124 MCBFYGOOWLESRL-QGZVFWFLSA-N 435.506 2.275 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1288506067 FKBGAZPDFXPKPL-HNNXBMFYSA-N 444.561 2.146 30 10 IEEE C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1291170511 SSIALVATQLHFCV-MCQGMECGSA-N 435.532 2.273 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1292132933 FKJQAZCXUICJQY-MRXNPFEDSA-N 448.474 2.282 30 10 IEEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)s1 1292623095 CHHAARKGPJPOLQ-UHFFFAOYSA-N 442.570 2.313 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1B1OC(C)(C)C(C)(C)O1 1299035160 SIIVCNBKVJSGMJ-KRWDZBQOSA-N 434.367 2.153 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1300601813 KULKPQGGESDBNR-MRXNPFEDSA-N 428.562 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCc2nc(C)no2)CC1 1300721868 BJVJYJGTIXHIMZ-UHFFFAOYSA-N 425.537 2.226 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(N)=O)C1 1300740884 GRDASVVBYONPJD-GFCCVEGCSA-N 437.367 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300863909 WGBYNQHZIRRQQE-QRVBRYPASA-N 447.580 2.172 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300972889 RKMHJGRCNVBPCW-PMACEKPBSA-N 429.569 2.024 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1301000626 UYDHXSFAAWMZQU-UHFFFAOYSA-N 443.596 2.033 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301185525 GGSSAUOBPIKLNR-QGZVFWFLSA-N 441.536 2.281 30 10 IEEE CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1301312323 GULFZSMBDXNHBX-UHFFFAOYSA-N 437.562 2.332 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301508325 IBBHYJQMGLSFHJ-DEOSSOPVSA-N 439.560 2.140 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNC(C)=O)C1 1301555836 DMXBSIYNOZLYGK-FXAWDEMLSA-N 427.505 2.098 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccsc2)C1 1301567140 UPVFMSCLSHSHTR-LAUBAEHRSA-N 431.562 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@@H]1C 1301568680 ITHGFKPZPPQXSG-JKSUJKDBSA-N 438.525 2.383 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cccs2)CCOC1 1301956201 GHQFRDIDBNVLBF-IIBYNOLFSA-N 446.577 2.406 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cccn2C)nnc1N1CC[C@@](F)(C#N)C1 1302138544 WBLHLGRYOPHFPA-OAQYLSRUSA-N 425.468 2.194 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1302189603 JBNXVCPHDLGUDK-HXUWFJFHSA-N 441.532 2.276 30 10 IEEE CC(F)(F)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C#N)C1 1303784929 AAUJKUYZOULWHF-ZDUSSCGKSA-N 439.492 2.012 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2)CCO1 1315011955 CPWTWSMTZXVSNW-ROUUACIJSA-N 426.546 2.054 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1 1315449702 HUQJELGYHUPOPV-WZONZLPQSA-N 442.539 2.235 30 10 IEEE C[C@]1(c2cccc(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)NC(=O)NC1=O 1339041942 YNYADPBBQFWQJM-XMMPIXPASA-N 442.479 2.448 30 10 IEEE N#Cc1ccc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)nc1Cl 1356193003 REVRCAYYGYCRCM-UHFFFAOYSA-N 427.892 2.197 30 10 IEEE C=CCCn1cc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nn1 1358430124 VWYHKOJANXIRDX-UHFFFAOYSA-N 436.495 2.040 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)COC)c1 1358903480 YEYFTKTWHUTUKU-QGZVFWFLSA-N 449.559 2.478 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1358922485 GZJJMBPRULUUAP-CALCHBBNSA-N 431.562 2.222 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1358929602 DOLXXBHJTUTKJR-QHCPKHFHSA-N 436.604 2.449 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCOCC1 1358953129 LNYGOKXLYSIQRA-UHFFFAOYSA-N 435.322 2.231 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358966122 ICPZBTOMFAVAOH-PZJWPPBQSA-N 443.617 2.030 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(OC)nc1 1359021225 HCDXZQJPWRUTHC-UHFFFAOYSA-N 435.484 2.254 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1359023712 TXZHXETUFPGXHL-SFHVURJKSA-N 449.559 2.412 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc(C(C)(C)C)cs1 1359026548 BMEJHVUUNKGYOZ-UHFFFAOYSA-N 430.578 2.289 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359060490 WSLKCFXJJKVUQB-QFIPXVFZSA-N 443.548 2.004 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(COC)c2)C1 1359319512 AJPWEVLYAPEDHD-MJGOQNOKSA-N 429.496 2.344 30 10 IEEE Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1361258737 CHNGELBRDGTLMQ-QURGRASLSA-N 447.499 2.328 30 10 IEEE N#CCCN1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 1454902737 DBTXNZFTKOKHOK-UHFFFAOYSA-N 428.352 2.061 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)c(OC)c1 1461312375 UNMNXHROEILUEN-UHFFFAOYSA-N 429.498 2.402 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1469727824 CDHNOPZOSYCKAP-QKPAOTATSA-N 437.541 2.300 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C3CCCCC3)cc2)CC1 1470786982 NJDGZNWHTCMPOQ-UHFFFAOYSA-N 432.590 2.072 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c1 1471332662 RIWOPZJPAHIDJP-UHFFFAOYSA-N 427.482 2.208 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 1471833230 SLIOPFNBQVMCQB-UXHICEINSA-N 443.544 2.227 30 10 IEEE CCOC(=O)[C@@](C)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(C)C 1472004796 RPWXPSRVKNGADF-WZONZLPQSA-N 442.516 2.495 30 10 IEEE C[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)NCc1ccccc1 1474874885 AGGFUTCMBLSSOF-LLVKDONJSA-N 440.294 2.443 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC2(N(C)C)CCOCC2)cs1 1492671670 BIDDKMMOUMRTHO-UHFFFAOYSA-N 429.594 2.485 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1503759568 BUOAPHAIGIVAHI-ICSRJNTNSA-N 436.516 2.036 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1507796317 OGGPGZQKGJIMMT-FPOVZHCZSA-N 425.533 2.221 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507836083 WOVRDOFRMCCWMG-GOSISDBHSA-N 427.553 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1508134547 GOAKVNGZYSJZOQ-QGZVFWFLSA-N 449.577 2.285 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1515894156 QUHGQHPDTVQTKQ-KKSFZXQISA-N 446.962 2.461 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1C 1515903752 FFKHVHYDPDWBPN-YLJYHZDGSA-N 442.589 2.314 30 10 IEEE CN(CCOc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1517343859 CGXXMILLGIMFPH-LSDHQDQOSA-N 447.499 2.315 30 10 IEEE COC(=O)C(C)(C)N(CC(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536207209 SQSWYOGHRMBSJB-QGZVFWFLSA-N 428.489 2.199 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccco2)c1 1539038048 KSSFUAMVXBIDBK-UHFFFAOYSA-N 432.484 2.212 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1539596731 OSLIQPYAQPVIKY-CYBMUJFWSA-N 433.372 2.094 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539742531 FEDDIRRIVPTADR-NRFANRHFSA-N 449.559 2.215 30 10 IEEE N#Cc1cn(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)nc1O 1540430910 GJLPKFYKCBHCQG-UHFFFAOYSA-N 443.507 2.144 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1540662641 WLFNYKZHXKDKQO-KRWDZBQOSA-N 443.548 2.312 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540918838 ZUYNAKMMQXYVSB-FQEVSTJZSA-N 428.606 2.484 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(N4C(=O)CNC4=O)c3)CC2=O)cc1Cl 1544686205 IGGASSCXTLADHB-ZDUSSCGKSA-N 437.843 2.259 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1546227487 SPRAWLSFLLVSFW-HYHOCUEZSA-N 436.516 2.259 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1 1557234652 MCFBASQTPOBQSC-QFIPXVFZSA-N 439.493 2.133 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 1559840148 CJYUFWNKKZJXHU-UHFFFAOYSA-N 425.485 2.391 30 10 IEEE CCOC(Cn1ncc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1N)OCC 1584876380 KNVVPFKTDPPLIH-UHFFFAOYSA-N 427.505 2.172 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1587964120 AFJXSUPWMLCVKH-ICSRJNTNSA-N 440.475 2.276 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1588040433 MWZJNISSAMUJHB-SFHVURJKSA-N 432.546 2.007 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588059480 OTGOQGHMLLPMLP-GOSISDBHSA-N 444.605 2.391 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1594497580 JKEKKWVUFWDHMB-SFHVURJKSA-N 439.564 2.205 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1594896039 SDFQGUYOLIGATN-LJQANCHMSA-N 436.354 2.405 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2CCN(CCN(C)C)CC2)C1 1595705902 GGWBZZIPRVCVMG-QFIPXVFZSA-N 439.608 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOCC1 1595788692 HCRZSZJHTUGWIX-UHFFFAOYSA-N 429.502 2.038 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1595878536 PPBSXSIMBCHFHD-ZIAGYGMSSA-N 432.516 2.221 30 10 IEEE COC(C)(C)c1nsc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1596399179 RJKOHIDXRBCDOQ-CYBMUJFWSA-N 428.474 2.135 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncc(Br)s1 1597051412 IBIAMDCRANEPEO-UHFFFAOYSA-N 429.321 2.363 30 10 IEEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(CC#N)CC2)c1=O 1615731462 CAPMRTRJSAXNBV-PMACEKPBSA-N 440.548 2.362 30 10 IEEE C#CCN(C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C1CCN(C)CC1 1617454875 WDBWKYDTIGWXJI-UHFFFAOYSA-N 427.545 2.112 30 10 IEEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1617986364 BGNVKZFQPDQNNQ-UHFFFAOYSA-N 426.502 2.082 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1618829205 FLVKMEHGIABETC-GOSISDBHSA-N 425.537 2.339 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1619911183 KLBNCAAPLFXQBZ-GOSISDBHSA-N 435.536 2.109 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN(C)C(=O)OC(C)(C)C 1619913217 XNNBUHFWUPQZND-QGZVFWFLSA-N 436.557 2.405 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cc(C)cc(C)c1 1620024142 DRDGGHURXIRERF-UYAOXDASSA-N 429.521 2.427 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1 1622979225 DHDURMPAUZGLJN-MRXNPFEDSA-N 426.521 2.343 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1626681852 RPJHPGYAHQNFRQ-ZDUSSCGKSA-N 443.312 2.256 30 10 IEEE CCOCCCNC(=O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1628316697 WDBAQMCWOPDDET-UHFFFAOYSA-N 449.592 2.418 30 10 IEEE C[S@](=O)C1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CCN(C(=O)OC(C)(C)C)CC1 1630761941 GWGUEOGKBVUCMY-HKBQPEDESA-N 446.573 2.329 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1632132531 JCNNZZHICQJARD-HNNXBMFYSA-N 431.942 2.127 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)C1 1633662440 MDSHXDKRXPEFCG-BZSNNMDCSA-N 427.505 2.018 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)[C@H](C#N)C1 1635213891 OUXRIJBQLHSRBN-TWMKSMIVSA-N 434.537 2.461 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1635933623 OMJKXTCQBRDLHT-HOTGVXAUSA-N 425.489 2.288 30 10 IEEE C=C(C)C[C@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OCC 1636838281 TXFWPFXUKXQEAN-AWEZNQCLSA-N 444.269 2.035 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCN(O)C3=O)C2)c2ccccc12 1637667735 ILKLWXXFQWARSP-DNVCBOLYSA-N 425.485 2.197 30 10 IEEE Cc1cn(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)nc1C(F)(F)F 1638640509 ODCCZDAHGXGWBI-UHFFFAOYSA-N 432.200 2.393 30 10 IEEE Cc1cc2c(cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)sc(=O)n2C 1640210428 XWZLJNKYVUQRPD-LBPRGKRZSA-N 430.511 2.086 30 10 IEEE Cn1c(N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c(C#N)c(=O)n(C)c1=O 1640490059 MKQHGXBQDHDZLQ-MRXNPFEDSA-N 445.564 2.209 30 10 IEEE N#Cc1cc(Cl)ccc1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1640956966 DWCRTYKLLSAGFG-HOTGVXAUSA-N 428.963 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(C)(C)[C@@]3(O)CCCOC3)C2)C1 1646347553 XSKJBQOIASMBJD-MEHSZGBBSA-N 435.565 2.457 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](OC)[C@H](C)CC)nnc12 1648795857 MXXXRUCSFFYGQW-PBHICJAKSA-N 429.546 2.500 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ncc(Br)cn2)cc1 1658320950 OUCWNESKYIAKIG-UHFFFAOYSA-N 440.323 2.367 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)CC1 1665734162 PBJFBGWISSEFJA-QHCPKHFHSA-N 435.365 2.001 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)C1CCOCC1 1670679415 UILCWHOZVCRMOV-QGZVFWFLSA-N 425.533 2.417 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCCC2)CC1 1674097765 JCYSXGPWVJIOIG-UHFFFAOYSA-N 440.953 2.448 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@H](C(=O)OC)c2ccccc2)c(C#N)cn1CCOC 1676108805 HWBZTCBYZVNOON-KRWDZBQOSA-N 442.472 2.261 30 10 IEEE CC(C)(C)OC(=O)C1(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCOCC1 1683543279 SGLHBQCBYNWEJD-KRWDZBQOSA-N 430.505 2.254 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 1685217251 ITZNXIKHPQZVOJ-OAQYLSRUSA-N 442.541 2.233 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CCC)OC 1689835979 WRDAALGOUFQLME-SJLPKXTDSA-N 433.578 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccs1 1690033103 QBDZQYJUHJXHSN-MRXNPFEDSA-N 433.603 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCn1cc([C@@H]2CCOC2)cn1 1690051107 MOUGJEYFHNLYKN-OAQYLSRUSA-N 429.528 2.127 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(C(N)=O)CCCC2)CC1 1690119746 QPVUFLFDHKTETG-UHFFFAOYSA-N 426.952 2.399 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC1 1690124666 QPPRNJFFKSUQHD-OAQYLSRUSA-N 436.560 2.013 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(OC)C2CC2)CC1 1690144359 WFFWSLUERHNJSB-AUSIDOKSSA-N 429.565 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)Nc2ccccc2)CC1 1690146257 JEZKRRNGLVWVMQ-UHFFFAOYSA-N 436.560 2.471 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1690174359 BNIAIBBHRNXSJV-INIZCTEOSA-N 434.562 2.248 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690185443 ZJEYOQYEQQLBDS-UHFFFAOYSA-N 434.654 2.176 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690567980 WTHPJIQXAUGRFB-NRFANRHFSA-N 436.553 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1690726435 AAENHIMLZIHDBG-NRFANRHFSA-N 434.537 2.068 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690742035 DXWWECDXEPMFTP-HZPDHXFCSA-N 429.546 2.425 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1691493135 AVNZAKDNOSIVQM-LJQANCHMSA-N 446.559 2.484 30 10 IEEE COc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1697348309 JNTXMRLJZKEFDK-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCN/C(O)=C1/N=CC=CC1=O 1697547475 SHIFEDVUUMQWFE-DSGGYQJVSA-N 435.488 2.076 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1697835989 SFDVHCAJJBENCN-NRFANRHFSA-N 442.451 2.490 30 10 IEEE CSCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1698438820 SWEMMRROYQWHIA-QGZVFWFLSA-N 430.582 2.123 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1705495636 SIOSAFUSVUUZKH-UONOGXRCSA-N 441.479 2.295 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705569931 LJVMJNOVMRIHPC-SFTDATJTSA-N 444.601 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H]1OC 1705580435 JGYHKBLHKSXPCK-HKUYNNGSSA-N 440.573 2.126 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)no1 1705620493 VRXHYQLRUVQMQO-KRWDZBQOSA-N 443.504 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](OC)C(C)C)CC1 1705636568 PFILETABDUJLFF-OAQYLSRUSA-N 427.549 2.389 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705658945 GFOUVVLSALGPKQ-RTBURBONSA-N 447.605 2.150 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1705671772 WSQFKCYLENBTRE-GOSISDBHSA-N 427.310 2.272 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1705717915 VJRSDTJJMRIZQM-KRWDZBQOSA-N 432.546 2.402 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705733874 WHXKSUZEQGCJCV-UHFFFAOYSA-N 441.923 2.243 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(OC)CCOC1 1705846538 JZOCWWAINNHPRW-XMMPIXPASA-N 440.592 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)C1 1705934154 CMSQKDWUVQDHFD-AWEZNQCLSA-N 428.518 2.041 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H]1C 1706072626 GEASKRWULKFCTD-SJORKVTESA-N 444.609 2.318 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@@H](C)N(C)C 1706417859 AHLGQGWBLZRYSM-MRXNPFEDSA-N 426.569 2.490 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1711606420 GYUPWRSNGRVDAX-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OC(F)F)CCO1 1712882613 DUCWUZXOEDJEND-MRXNPFEDSA-N 446.458 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1722277355 MYBJXBWTQUBLBI-CABCVRRESA-N 447.561 2.053 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722366761 JQIDMLOEIDWNMX-LJQANCHMSA-N 430.578 2.136 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722418814 DPPVMXLZDBWBCT-BCDXTJNWSA-N 426.521 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H]2CCCCO2)CC1 1722447510 IXSNLZWHNYXDND-WOJBJXKFSA-N 429.565 2.445 30 10 IEEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1722537412 AGCBDHJPOFAEOX-REWPJTCUSA-N 444.580 2.088 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C)CC1 1722700248 CDTXTJFFBDJZIE-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2COCCO2)C1 1722713287 CYPOUXKCESFYIL-FXAWDEMLSA-N 430.505 2.159 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1722753623 FBNLLONZGMLBHP-LJQANCHMSA-N 432.532 2.212 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1723909829 CNVMGZWNTIKUTJ-QWHCGFSZSA-N 449.562 2.391 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCCCO)n1 1724513904 QZBBPOBIHOEMLJ-UHFFFAOYSA-N 432.532 2.404 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1730568728 BBOKXORRIJHAEW-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1730572943 HZZSTNYEWDMLQK-ROUUACIJSA-N 429.546 2.114 30 10 IEEE N#Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](C(N)=O)C2)o1 1731184704 SABBBVTTZVGQPJ-CYBMUJFWSA-N 426.864 2.335 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)[C@@H](C)CC 1740638033 GZGQLQROAYEAMM-IBGZPJMESA-N 445.571 2.478 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(COC)CCC2)CC1 1740703842 BYUWITDAMJTZPH-UHFFFAOYSA-N 436.560 2.431 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740714783 KSSDDBYARNJJOD-DLBZAZTESA-N 430.578 2.007 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740796022 LHLXEIXRQXVDGR-UHFFFAOYSA-N 448.568 2.050 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1COCCO1 1740915505 JEQYIRKYPFWTFH-IBGZPJMESA-N 429.521 2.033 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCSC1 1740953483 HNNXZTYXRNVXCE-OAHLLOKOSA-N 447.561 2.215 30 10 IEEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1741116368 LYRCQIVWRATCQV-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1741123588 GRZWBJDGJUTWAL-SFHVURJKSA-N 449.559 2.281 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)COCCO1 1741479724 MOZVFUHVXKTYBK-XMMPIXPASA-N 438.576 2.476 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1COCCO1 1743749229 LALCDGVMSPEYDZ-PKOBYXMFSA-N 425.537 2.190 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)CC1 1746521638 FPZSVSBFNDFARH-UHFFFAOYSA-N 425.537 2.341 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748706377 IUMXODGRNXZRJL-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](OC(C)C)c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748804414 HIMBHVAZBNDKPL-NQIIRXRSSA-N 446.573 2.388 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749402153 KPFJXMINBSQZDP-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749429432 LYIRVKUZFBGGNV-HSALFYBXSA-N 429.613 2.190 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749455552 YSLCOOFEOIZIGR-UHFFFAOYSA-N 440.552 2.056 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1749655083 CHLXUEFMEBODKK-HIFRSBDPSA-N 433.484 2.067 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H]1CSC 1749671173 ZKWPTLIMEJQJQA-MAUKXSAKSA-N 429.546 2.425 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)CC1 1749686423 BBRNCPVWXWFOMU-UHFFFAOYSA-N 445.589 2.378 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1750033247 BBFDJKRBXADPSV-LJQANCHMSA-N 434.504 2.418 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c(-c3ccc[nH]3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1750191239 DPIMMBCZHYDVHP-HXUWFJFHSA-N 444.492 2.198 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1750778863 WUSZUZSTHCJMSR-COPCDDAFSA-N 435.569 2.235 30 10 IEEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCOC1(C)C 1752442836 VGKFUORMDPSNRT-QGZVFWFLSA-N 429.521 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)O)CC1 1760266891 AFFLWUKXZIKXBH-UHFFFAOYSA-N 432.528 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(C)(F)F)CC1 1760272849 AQDIMHLKGKDSGZ-IRXDYDNUSA-N 439.507 2.013 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760284331 KIEAUGDPJKAMPV-KRWDZBQOSA-N 427.578 2.014 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1760288873 BYBWJVVXXCFOQJ-LJQANCHMSA-N 439.488 2.088 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)CC1CCC1 1760316027 LHXRFBDWHUCHIA-JQHSSLGASA-N 425.599 2.496 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1760513391 AVHICUFWFCYEQJ-UHFFFAOYSA-N 428.924 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](OC)C1 1760557212 DOUADFCTEIYDIF-GOSISDBHSA-N 434.562 2.300 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1762915111 HRUSCUJNKUIVJT-XLIONFOSSA-N 442.589 2.172 30 10 IEEE COCc1nocc1Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1770885498 OVZWMGULWBEPDX-UHFFFAOYSA-N 436.520 2.352 30 10 IEEE CSCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771487258 XEFHFBUNEVGKLL-DOTOQJQBSA-N 428.566 2.259 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(COc4cc(C#N)ccn4)CC3)ccc21 1849810635 LTJJTRPYHJYBIQ-UHFFFAOYSA-N 440.525 2.342 30 10 IEEE CN1C[C@H](CO[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)CC1=O 1851325257 DFTCESHLABTQRY-QUCCMNQESA-N 428.510 2.274 30 10 IEEE Cc1nn(C)c2nc(N3CCCN(C(=O)c4[nH]ncc4C#N)CC3)cc(C(F)(F)F)c12 1851946832 VEGUMCUPMRQEQM-UHFFFAOYSA-N 432.410 2.243 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)C2(CCCCC2)C1=O 1856301286 SOQLJNZXJMKOMH-UHFFFAOYSA-N 426.498 2.211 30 10 IEEE Cn1cc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c2ccccc21 1856816956 VESPBLUYIQNKJK-KRWDZBQOSA-N 425.466 2.140 30 10 IEEE C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(-c3cccs3)c(O)n2)CC1 1859430250 SRFFVKNKGAUHNX-CQSZACIVSA-N 435.513 2.327 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862707404 VITIUTCVIDJKGA-ORAYPTAESA-N 425.437 2.441 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 1866580265 URVHXVSLTUNSTJ-XLIONFOSSA-N 443.500 2.188 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)Cc2ccccc2)cn1C[C@H](C)O 1870508116 MBBYIFXUFVIAKL-FQEVSTJZSA-N 439.556 2.441 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1889309830 GTCRQUCIUWJKRE-YADHBBJMSA-N 426.586 2.413 30 10 IEEE N#Cc1ccc(CC(=O)N2CC[C@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 1889938276 KELYAXUAVGNVPR-HNNXBMFYSA-N 430.390 2.485 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC(Oc3ncccc3C#N)CC1)CS2 1891109137 JAMLDTPDDWORIO-INIZCTEOSA-N 425.514 2.234 30 10 IEEE C=CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)C(=O)OC(C)(C)C 1985006543 FEJCMJVUVHRQDW-JKSUJKDBSA-N 427.542 2.144 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 1985010188 ZBRROQDIZYGVLT-JYJNAYRXSA-N 427.542 2.190 30 10 IEEE C#CC[C@H](COc1ncnc(I)c1OC)NC(=O)OC(C)(C)C 1986468782 JWNWHAAGODWANG-SNVBAGLBSA-N 433.246 2.385 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@]1(CCOC)CCN(C(=O)OC(C)(C)C)C1 2006231773 PMNMTIBBQGFHDM-HNNXBMFYSA-N 427.361 2.231 30 10 IEEE C=CCC1(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2010223699 CXOCNKGMZXVNPL-HNNXBMFYSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2014230301 HPHSCLOXLOAETP-ARFHVFGLSA-N 440.541 2.060 30 10 IEEE CCc1nn(C)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 2194933349 XRRGCFZYEMTFBG-TZMCWYRMSA-N 441.374 2.190 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)CC1 2232309466 JAUPTNQWNMNLKQ-UHFFFAOYSA-N 446.357 2.048 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247839672 ASZJLDYFSITHSW-UHFFFAOYSA-N 439.343 2.067 30 10 IEEE CC1(C)OB(c2sccc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255801460 MXSAINGOXSOCSS-HSZRJFAPSA-N 442.390 2.414 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2258231467 NXBAKGGRILVBAU-UHFFFAOYSA-N 430.232 2.170 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267009794 QJTAADAERKCODD-JKSUJKDBSA-N 448.373 2.285 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267519641 JRMKSCGWHIQERR-LJQANCHMSA-N 438.381 2.280 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 2267539697 SHOMYFSZYVUPAZ-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267548360 FZYFLXFSKIOIGH-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2267599576 RMNRFTSIHHDOOE-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2267600151 BJYJFSFMMMJFCK-UHFFFAOYSA-N 445.369 2.407 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269008041 RJHFLVACPXGORF-HNNXBMFYSA-N 449.332 2.080 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@H](N)C#Cc1ccc(Br)cc1 2278814702 VSLXZAMLFKBDMA-CVEARBPZSA-N 443.363 2.066 30 10 IEEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2296228132 VZKVWBXYLUJUBA-FUHIMQAGSA-N 439.350 2.433 30 10 IEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1 2296619718 SSHFZSQJHRTPIO-NRFANRHFSA-N 438.528 2.181 30 10 IEEE Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324194647 AHHWDYARTVDFDA-UHFFFAOYSA-N 438.480 2.155 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2331311024 GIYUGPYBJKTWSH-UHFFFAOYSA-N 441.513 2.169 30 10 IEEE C[C@H]1C[C@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N(C)CCC#N)cc3c2=O)C1 9495524 JHPBHRPXXTWBEB-GJZGRUSLSA-N 430.530 2.180 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(F)cc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102550449 KSSLBOCODHHZDI-VZCCSQPZSA-N 430.388 2.165 30 10 IEEE COc1ccccc1N1C(=NC(=O)c2ccc3c(c2)OCO3)S[C@@H]2CS(=O)(=O)C[C@@H]21 254532185 VKCVQDZGGGLNHL-KBXCAEBGSA-N 446.506 2.339 30 10 IEEE C=CCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1-c1ccccc1 255927003 BCAWMMRJADGASF-UHFFFAOYSA-N 437.529 2.061 30 10 IEEE CCCc1c(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cnn1-c1cccc(C#N)c1 433531145 WFSWIQSCUPXPLF-IBGZPJMESA-N 435.406 2.161 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443489675 WAFDLUXQLBREHG-QGZVFWFLSA-N 441.395 2.111 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CC2)cc1 444108902 YVLDZGHMLPFQBR-UHFFFAOYSA-N 433.491 2.365 30 10 IEEE Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)s1 444995739 YHCVINYYZGAUEH-UHFFFAOYSA-N 445.512 3.011 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([C@H]4CCCO4)[nH]n3)CC2)cc1 473854374 GINBTSMFYSJYGI-GOSISDBHSA-N 429.502 2.172 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 475657361 ASFMYVOXCZRLGZ-UHFFFAOYSA-N 427.526 2.421 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnnn2Cc2ccccc2)CC1 485287584 FNORPWAEVBAYBQ-FQEVSTJZSA-N 433.541 2.223 30 10 IEEE COc1ccc(F)cc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 490075776 ZGZASZMJFASHPE-UHFFFAOYSA-N 431.489 2.423 30 10 IEEE COc1cccc(OCCN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 503697705 BQMFPVQHKDNWJR-HSZRJFAPSA-N 431.533 2.480 30 10 IEEE COc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(OC)c1OC 505273033 IYAUPFWUUSYPLD-UHFFFAOYSA-N 441.488 2.048 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CCN(C)Cc4ccccc4)CC3)cc2C1=O 517838234 GDDQGEXGRDQLET-UHFFFAOYSA-N 446.551 2.358 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 549272354 DETGPANXAGQBGV-LJQANCHMSA-N 431.562 2.391 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 554264194 PWUQJBQWWUIGGN-GOSISDBHSA-N 426.513 2.409 30 10 IEEE C#CCN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 729332111 KBCHEGQYUKUSMH-GOSISDBHSA-N 437.521 2.264 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCN1C1CC1 732706057 CXERMAGBNAKIRP-IBGZPJMESA-N 449.486 2.144 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(Cl)c1 733201378 SKESJUVGQCDTML-KRWDZBQOSA-N 436.965 2.371 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(C#N)nc2)ccc1C 734601091 NMDSBCNBTYEETA-UHFFFAOYSA-N 430.486 2.088 30 10 IEEE Cc1cc(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(C)n1Cc1ccco1 741340743 GMVGQJVXNGSYSG-DQRAZIAOSA-N 425.441 2.389 30 10 IEEE C[C@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 745044864 KSVIZSBYNBUUHM-NSHDSACASA-N 432.502 2.089 30 10 IEEE CCCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CCN(c2cc(C)nc(C)n2)CC1 746261780 MJZFYWZRNZGEAO-FCQUAONHSA-N 440.548 2.217 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n1-c1ccccc1C#N 755662793 QVFSRZDRDDUAQN-KRWDZBQOSA-N 431.502 2.105 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(Cl)c2)C1 760299040 HVZXQSXBGSZDBF-CABCVRRESA-N 437.953 2.211 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(CC)c2)C1 760305004 PCSAZBXMNWDXEX-SJORKVTESA-N 431.562 2.120 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC[C@@H]1CCOC1 784125795 STACNMJWZYYJSY-APWZRJJASA-N 448.589 2.121 30 10 IEEE C=CC[C@]1(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 790244411 GWNQHJHGYOREBF-UZUQRXQVSA-N 434.581 2.144 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCCC1(C#N)CCOCC1 800081912 HHULWYYWONWZCA-UHFFFAOYSA-N 436.530 2.273 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCO2)CCN1C1CC1 802683116 RUPSEUITDAWJFO-JKSUJKDBSA-N 446.353 2.391 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 806383238 GVRMTABKMMFPHM-OALUTQOASA-N 444.532 2.242 30 10 IEEE COc1ccncc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 814211906 UYTRKLOKUAHSKA-LJQANCHMSA-N 441.557 2.290 30 10 IEEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)OCc1ccccc1 814286454 LCMPYVWCTKQVPE-SJCJKPOMSA-N 442.415 2.348 30 10 IEEE C[C@@H](F)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 814710254 ONVCKSVPJRRGLA-DYVFJYSZSA-N 438.525 2.163 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3nccn3C)CC2)cc1 917679395 MMQMVEKPONWVML-UHFFFAOYSA-N 431.562 2.077 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCC(=O)N2 918357942 QUTLSJOCJLFNQY-INIZCTEOSA-N 442.497 2.254 30 10 IEEE Cc1cc(N2CCN(C(=O)COC(=O)COc3cccc(C#N)c3)CC2)nc(C(C)C)n1 919416925 HATLGXBRBZEWJE-UHFFFAOYSA-N 437.500 2.051 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c1=O 921169272 RJUDKMXHDAHNGO-GOSISDBHSA-N 448.523 2.454 30 10 IEEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1 1084280833 OGZRUXGNYZYGDT-UHFFFAOYSA-N 428.474 2.079 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)s3)CC2=O)cc1 1117519364 DCUVKOYNHGPUTE-NSHDSACASA-N 443.428 2.497 30 10 IEEE COc1cc(N2C[C@@H](C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2=O)cc(OC)c1OC 1132648403 ZEBIAWKSBYEHRA-ROUUACIJSA-N 435.480 2.221 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H]1CCOC[C@@H]1OC 1133127216 MFMDRBOJLITOSA-ZBFHGGJFSA-N 427.295 2.361 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)CCO2)cc1 1134507263 QKJXOYQUWCUCFV-LJQANCHMSA-N 434.408 2.334 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)C1 1135823359 ZPRHFPBXWQROQD-QGZVFWFLSA-N 449.374 2.185 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)c1 1157071513 KMJYVJQHTNHHFD-UONOGXRCSA-N 448.570 2.291 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)c1 1161217788 LGMDDAWYSJKFLB-UHFFFAOYSA-N 439.415 2.309 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)cc1 1170363764 AUGCPJVYTSQXGB-YTQUADARSA-N 445.338 2.429 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1171931727 QGHNVOASPFBZRS-DAXOMENPSA-N 435.443 2.368 30 10 IEEE Cn1c(S)nnc1[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1234025564 ZEJUTAFBOHVTSG-RDJZCZTQSA-N 439.545 2.060 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 1276788100 GWDVCIVHZWGPAA-HNNXBMFYSA-N 428.514 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1ccnc1C 1286284095 XERFENIEOXBPGO-KRWDZBQOSA-N 430.520 2.364 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN(C(C)=O)C1 1286466753 MQHWGQQAYPPCKY-IBGZPJMESA-N 427.524 2.353 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286509041 LXETZBWYXYNQQN-WBVHZDCISA-N 444.557 2.219 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1CCCO 1286519123 RKMQMOAQYPSIJB-AGILITTLSA-N 445.608 2.158 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286784534 KSDAVDWGCDHVLO-INIZCTEOSA-N 428.512 2.272 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)cc1OC 1286786604 VHKMUFRYJRKCDU-GOSISDBHSA-N 429.521 2.476 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(CC(C)C)C2)n1 1290645896 DISJJEKDQQXGPQ-SFTDATJTSA-N 440.596 2.237 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@H]1N1CCOCC1 1291225353 PNHSKUKVYDGVMO-QFBILLFUSA-N 446.502 2.255 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](OC)c1ccccc1 1292133271 HOQZBMCRJFANQE-RBUKOAKNSA-N 426.521 2.313 30 10 IEEE CN(C)CCOc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1298084209 CCXFVFKDTJXZRJ-AUSIDOKSSA-N 442.539 2.407 30 10 IEEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(=O)OC 1299179557 SJYUFYMSJQBZSK-SFHVURJKSA-N 434.901 2.460 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC(=O)OCC)Cc2ccccc2O)c1 1299697889 ADBNNISCMRZRLN-UHFFFAOYSA-N 429.494 2.395 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CN(CC(C)C)CCO1 1300464427 DUOZFURTMNGAQZ-NQIIRXRSSA-N 425.533 2.217 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C(C)C)CC1 1300708499 SRSLEUPCCKPWAV-UHFFFAOYSA-N 438.576 2.001 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCCOC)CC1 1300892397 RQWFXCXLPWNZHF-PZJWPPBQSA-N 431.581 2.191 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301460452 UJHYNAXWDNJOAM-XXBNENTESA-N 443.548 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cnc(C(C)C)nc1 1301579603 XTIFPWYELVNWOW-UHFFFAOYSA-N 429.550 2.424 30 10 IEEE N#CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)CC1 1303000802 KDNKPMNJHAUUOW-UHFFFAOYSA-N 446.506 2.474 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cn1 1303510770 CVIKOYDNXKNHJD-WBVHZDCISA-N 432.550 2.149 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1303628493 CFZQPLCYFGQYFW-NQIIRXRSSA-N 448.575 2.498 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 1307851860 PBOZWOAUPKHVCT-JOCHJYFZSA-N 430.508 2.365 30 10 IEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1314834879 DTNSGMALIQOROD-HSZRJFAPSA-N 433.516 2.359 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2ccccc2OC)CC1 1316211302 SKBHCNPOJIARDD-QZTJIDSGSA-N 441.532 2.471 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1316227860 FHKAIULJJRPJMU-WMZOPIPTSA-N 426.521 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358974362 AVMUMJABNPQBGQ-NHCUHLMSSA-N 437.569 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(OC)CCOC1 1358991280 UFEYFYANMGFXKH-DEOSSOPVSA-N 430.512 2.399 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC(F)(F)C1 1359019399 UJHJEDGAPPMLQG-HZPDHXFCSA-N 447.552 2.190 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1359108706 ZKYNJZUPXIDEAV-UHFFFAOYSA-N 434.562 2.296 30 10 IEEE C=CCSCCn1c(CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1359344282 RHYAHIJISBLLSS-UHFFFAOYSA-N 445.618 2.151 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359455617 WOZSTGCCBNLVAH-KRWDZBQOSA-N 437.548 2.036 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H]2COCCO2)CCOC1 1360340758 FKZSSHCYYJZOTK-YUXAGFNASA-N 433.553 2.254 30 10 IEEE CCCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nnn1-c1cccc(C(C)C)c1 1457196217 DBCKMMUWIHSSLM-UHFFFAOYSA-N 447.499 2.174 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2cnc(I)c(O)c2)cn1 1466719131 BWEXTJMQADPXIS-UHFFFAOYSA-N 432.181 2.096 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 1470568641 LNTIRFASPOARFE-HKUYNNGSSA-N 438.981 2.161 30 10 IEEE COc1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc(OC)c1OCC(N)=O 1470610743 IBYKWSHTWHWUAK-UHFFFAOYSA-N 438.484 2.156 30 10 IEEE CN1CCn2c(CCNC(=O)c3ccccc3Sc3ccccc3C#N)nnc2C1=O 1471671520 RGEKFYBROCVHBH-UHFFFAOYSA-N 432.509 2.359 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 1473660133 ZPXUEHNDQQYCQL-UHFFFAOYSA-N 431.512 2.488 30 10 IEEE C#CCN(C)CCCNC(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 1477936502 GWMKAERKCQAKTO-UHFFFAOYSA-N 425.499 2.212 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)c1 1478786030 GCXOKWANAJVURP-UHFFFAOYSA-N 442.470 2.100 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1494236313 OIGYNGJIUBCMLZ-VQIMIIECSA-N 446.502 2.398 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)C[C@H](C)O1 1499780398 ASIOBJFEQJGDAS-HQRMLTQVSA-N 429.521 2.394 30 10 IEEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1503928750 CEKPGGLRIJUXQR-INIZCTEOSA-N 448.487 2.481 30 10 IEEE CO[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503939521 HHEUXYJZSXNKTA-IBGZPJMESA-N 431.544 2.493 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)OC 1504580814 HVZVZANQKZHCLP-PXNSSMCTSA-N 440.548 2.171 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(C4CC4)n3CCOCCCO)CC2)c(Cl)c1 1505318725 LKNVSPLMQPTXKZ-UHFFFAOYSA-N 430.940 2.406 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507627972 LVQKMVTXNNQUBJ-FUHWJXTLSA-N 432.546 2.288 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507752908 AYWLIZUHGCNHLZ-UHFFFAOYSA-N 427.578 2.346 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)nn(C)c2CC)CC1 1507897226 NVYZRKNCVPTSEP-HNNXBMFYSA-N 449.625 2.197 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCCOC2)C1 1508073462 NJWUWXSPTQJQKO-OAQYLSRUSA-N 426.477 2.162 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1508135862 NOMYVRNOGMAPGD-IBGZPJMESA-N 445.589 2.289 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1509953198 KTQZBKKCIZMVTQ-NVXWUHKLSA-N 431.562 2.194 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1513645364 SYEBNYFLWHAPJM-SJDLZYGOSA-N 449.490 2.476 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1Cc1cc(C)no1 1519150433 FIZPUUDMPBFXSS-UHFFFAOYSA-N 449.515 2.270 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1c2ccccc2C[C@@H]1C 1519322781 BSWRMNSUNBPIBM-NSHGMRRFSA-N 440.548 2.182 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 1527273647 GDMKIZQIXOQKKV-OMELWMDRSA-N 432.546 2.133 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1539190454 JZVZCCCKNZRKHW-HSZRJFAPSA-N 441.601 2.177 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1539226528 ZWAVAOHIRAVZIZ-HXUWFJFHSA-N 442.585 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1539477792 YWVRMOUZMNENLJ-JPYJTQIMSA-N 437.548 2.049 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2)CC1 1539526327 MVLCFGGUBLSHOE-UHFFFAOYSA-N 430.622 2.222 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)C1 1539545393 HDMHIWFDCIZVMP-GJZGRUSLSA-N 443.529 2.204 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539637971 WAQVOCHFKWWOJA-NZQKXSOJSA-N 444.624 2.202 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1539744444 LTQJNCNHLCTNFK-SFHVURJKSA-N 426.521 2.205 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1540073151 ONTHKZGOZLRAKG-PKOBYXMFSA-N 433.578 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1540876215 KRMIQFHSVMBEOI-BBWFWOEESA-N 448.568 2.266 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1540895652 WQJOXZPFJMMKSH-AUSIDOKSSA-N 425.533 2.425 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1541115548 BDMWKNSCSMHUMS-SJLPKXTDSA-N 431.562 2.414 30 10 IEEE Cn1cc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1554336495 CIIATBCMPVCNSJ-LJQANCHMSA-N 425.468 2.091 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(Cn4cncn4)CC3)C2)C1 1556293345 SDBDMDBKUVVWEB-DKTYTTGXSA-N 428.537 2.304 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC 1556832573 CMZFPLSXCNLYOP-DGGJZMOXSA-N 436.508 2.429 30 10 IEEE N#Cc1c(N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)ccc([N+](=O)[O-])c1N 1559149079 CHKFARZVUKZPLF-OAQYLSRUSA-N 434.500 2.362 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1559732435 HIAYUHRFBAPEET-NHCUHLMSSA-N 441.553 2.155 30 10 IEEE COC(=O)c1cccc2c1CCN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2 1559887999 CGRXKEIUXZTALC-HXUWFJFHSA-N 438.553 2.302 30 10 IEEE COC(=O)c1cc(C2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)no1 1564531231 PKBVXPRJNCZDJU-HOCLYGCPSA-N 447.492 2.109 30 10 IEEE N#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(C(F)(F)F)c1 1565630892 QPCHDYMYURLURT-KRWDZBQOSA-N 426.416 2.395 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)s1 1584714975 GIUBYSAUVPCKTP-UHFFFAOYSA-N 443.591 2.271 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588049293 DTJCTLUCAIRWLA-ZWKOTPCHSA-N 439.541 2.367 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)cc1 1588138718 HNSLLGZFHIPYGU-SFHVURJKSA-N 440.569 2.239 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1588930049 MDCURWNBSYBPPX-SFTDATJTSA-N 444.624 2.114 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1594497649 LEEZLKIGUSPCHV-IXDOHACOSA-N 435.594 2.030 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1594608789 XCDYRDLDSGPIAB-OAQYLSRUSA-N 448.575 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1595812069 MAZOFGRPNDSQLJ-LJQANCHMSA-N 432.594 2.486 30 10 IEEE COC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(C)c1 1596003479 LQVKFUFMQIJMEW-IBGZPJMESA-N 429.498 2.221 30 10 IEEE CC(C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1597825190 CFHDWZAPOQWSDP-UHFFFAOYSA-N 438.923 2.358 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CO1 1602848104 IVBXEVYHAAJUAZ-LBPRGKRZSA-N 426.267 2.367 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CCc1ccc(S(=O)(=O)NC3CC3)cc1)C2 1603038841 HPJVLWFZHBKQHX-UHFFFAOYSA-N 430.555 2.160 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)c(=O)c1C#N 1611230778 HCBCKTXMIOSOGT-UHFFFAOYSA-N 442.273 2.081 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1617133924 RBOMZSPXQYSWAA-UHFFFAOYSA-N 442.541 2.275 30 10 IEEE C[C@@]1(C#N)CN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CCO1 1617894125 BKXZALQEYQTCQO-MAUKXSAKSA-N 443.363 2.184 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1619779095 CFKOLJBJCIEKFA-QFIPXVFZSA-N 429.521 2.131 30 10 IEEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1624303048 DNRZVPZXUVJTGO-QAPCUYQASA-N 426.510 2.241 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(Br)cc1 1625078197 RUWJYEFSPTWXSO-GOSISDBHSA-N 449.326 2.421 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3nccn3C)C(C)(C)CO)ccc2c1=O 1627655391 IFTJHBBHGGIDGK-MRXNPFEDSA-N 427.530 2.094 30 10 IEEE COc1cc(NC(=O)Cc2cccs2)c(C(=O)N[C@@H]2CCCN(O)C2=O)cc1OC 1628548479 ZQQIVQJZLAJCND-CQSZACIVSA-N 433.486 2.057 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1OC 1632986311 YXAWSCVUIMAYSG-KRWDZBQOSA-N 445.497 2.189 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccn4ncc(Br)c34)C2=O)cc1 1634588641 OAWYQAQURHODLX-KRWDZBQOSA-N 438.285 2.499 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccnc(-n3cncn3)c2)C1 1635551335 AIIFBFHZSIDKIM-UHFFFAOYSA-N 438.289 2.049 30 10 IEEE CC1=C(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)Cn2nnnc2N1C 1636463953 QYYHXNDOFJPWCA-IUCAKERBSA-N 446.302 2.026 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 1638154638 UQHQSPHXCPOLKY-HXUWFJFHSA-N 429.561 2.436 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1639610979 YUXOAPDFDRNQFX-UHFFFAOYSA-N 440.500 2.063 30 10 IEEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)C1CCN(c3ccc(C#N)cc3F)CC1)C2 1640364569 CAUMIAAMDPYLAI-GOSISDBHSA-N 425.508 2.085 30 10 IEEE COC(=O)c1cnc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 1642603175 RRQWKNCAKBAWQH-SFHVURJKSA-N 430.306 2.408 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Cc1ccc(I)c(Br)c1 1644465756 KONLWEVNTSMJLN-NSHDSACASA-N 436.087 2.487 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 1647924560 FBZRUARXLZNINR-UHFFFAOYSA-N 430.555 2.401 30 10 IEEE O=C(c1c[nH]c2cc(F)c(F)cc2c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649041607 VGNBKECMOWCJKA-UHFFFAOYSA-N 427.363 2.324 30 10 IEEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CC1=O 1651185240 PZJWYHLOUJNEEI-HKUYNNGSSA-N 433.402 2.404 30 10 IEEE CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1652329206 XMPWHZDMUHPKRJ-KRWDZBQOSA-N 427.530 2.277 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 1664648951 IBYVKSOWFJXXPQ-NXHRZFHOSA-N 435.546 2.421 30 10 IEEE C=CC[C@H]1CCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1665578610 DNCFCPQRIBKONG-KRWDZBQOSA-N 434.562 2.490 30 10 IEEE Cn1cc(CNC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c(-c2ccc(C#N)cc2)n1 1681498630 AGGIZKOKMMGATN-OALUTQOASA-N 425.489 2.021 30 10 IEEE C=CCSCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1686081975 GRTVYCSUJWKUQE-XHSDSOJGSA-N 440.566 2.130 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1)[C@@H]1CCCO1 1686184935 UKXGDFAMJLHTKI-RTWAWAEBSA-N 447.601 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)(F)F 1690039704 PVSLJBRJFNKTEY-UHFFFAOYSA-N 449.433 2.104 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(N(C)C)CCSC2)CC1 1690129476 YNTKGKHFLPLOMS-HSZRJFAPSA-N 442.608 2.201 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1690236563 OLYVKMGXPHNQTN-HKUYNNGSSA-N 429.569 2.384 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690254264 ZCKFINWGWSTLFI-AGHHOFFYSA-N 430.553 2.281 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690308296 JFJNCQQTZUNSOS-UHFFFAOYSA-N 438.536 2.337 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1690581846 ZRQYDAGZUGFXMV-FQEVSTJZSA-N 444.605 2.274 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCCC 1690662206 UVEPWNKZPHWUPV-UHFFFAOYSA-N 433.582 2.085 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)nnc1C(C)(C)C 1690676842 GKEFPDBHGSBFLF-KRWDZBQOSA-N 443.527 2.417 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C1 1690686101 JEVXHGIWDJURCC-KRWDZBQOSA-N 433.578 2.335 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCC(F)(F)C(F)F 1692527487 FARYJJWAWREXHB-QGZVFWFLSA-N 434.438 2.463 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1692852861 LKHSSEXLGFVGBT-UWJYYQICSA-N 446.506 2.221 30 10 IEEE CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)O1 1694424166 APBYDTDFAKQUHX-RXVVDRJESA-N 446.577 2.150 30 10 IEEE CO[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1697148499 LJCABDBGFNZFSV-HOCLYGCPSA-N 435.326 2.200 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705537629 LZFZXSUDGCYBBQ-OAQYLSRUSA-N 436.516 2.381 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cccc(F)c2F)CC1 1705653073 XXOGSMXCLBGMPI-UHFFFAOYSA-N 431.487 2.301 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1705730166 GMJBNJWYDNZMSV-UHFFFAOYSA-N 448.531 2.240 30 10 IEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705823808 WIXWNXJAETYWHL-KRWDZBQOSA-N 449.577 2.302 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1705903182 QZEDPDVLSXPGJM-JKSUJKDBSA-N 431.924 2.395 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705946119 ZMGIIAKUCNWHPX-QGZVFWFLSA-N 445.593 2.135 30 10 IEEE COc1ccc(CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1O 1711822069 QZNDWCWXPWJHHY-VZCXRCSSSA-N 440.504 2.279 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722321460 GABPIOSGLGUESV-UHFFFAOYSA-N 431.544 2.121 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1722333213 TZWRUQSVLLKCBN-QGZVFWFLSA-N 430.530 2.001 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1722349833 CUUKSSRCTXKVIB-UHFFFAOYSA-N 435.532 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722379456 QKROBMVXMXGLKV-UHFFFAOYSA-N 434.813 2.262 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1722432812 FSYYMZYSHXHJSZ-IBGZPJMESA-N 442.995 2.322 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc(Br)ccc2OC)CC1 1722445411 XCZPBNGCCYERAW-UHFFFAOYSA-N 446.349 2.372 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722533334 OTHIKSNOUFBGBE-GOSISDBHSA-N 430.940 2.329 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722643021 CQQNALALGUZQER-SFHVURJKSA-N 433.578 2.378 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C#N)cc1 1722700264 CQFOICYAHFBTEI-UHFFFAOYSA-N 440.511 2.327 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN(C)Cc1ccc(F)cc1 1722861157 DNLQQZOMBGVJNH-KRWDZBQOSA-N 427.528 2.381 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1729636801 GHJJVFDQDAXOPM-KRWDZBQOSA-N 439.564 2.031 30 10 IEEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CC1 1729819876 GQFMGOVNILUFCS-GOTSBHOMSA-N 438.532 2.246 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C1 1731179873 GVFACPNFTDKEAK-QGZVFWFLSA-N 446.288 2.226 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740571796 VOQXBXNAAQKVBK-UHFFFAOYSA-N 444.543 2.273 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1740628707 ZSAMDYRMPHVWBT-IEBWSBKVSA-N 448.976 2.305 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1740688624 HEIPAACHGMRDRK-RTBURBONSA-N 430.597 2.013 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCCOCC)C1 1740756218 FWKVWXQLOPVNCJ-WSTZPKSXSA-N 428.537 2.348 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1740761858 PMENTUSXNLUMFC-RDGPPVDQSA-N 438.594 2.024 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)CC1 1740824973 GTYOCHQDQJZFTG-FQEVSTJZSA-N 429.590 2.469 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN(C)C)c2)C1 1740969708 AKJJJEHMLPGFDO-HXUWFJFHSA-N 426.565 2.308 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1740977834 ZBYJZXSQODMDNP-INIZCTEOSA-N 444.561 2.099 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)OC(C)(C)C 1741807621 IRSVXAQBQLEIGB-HNNXBMFYSA-N 441.536 2.432 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN2CCCC2)cs1 1742592103 MLLAKSAHBCDSOM-SFHVURJKSA-N 429.594 2.485 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCCCC1 1748504722 ARRRGFIIHOJYOL-GOSISDBHSA-N 438.532 2.390 30 10 IEEE COc1ccc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1748732698 GHZBLSQRLYYWCE-UTKZUKDTSA-N 447.536 2.264 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1748740018 KDBIZUASWLZKEZ-UHFFFAOYSA-N 426.546 2.090 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748755801 CQQCXTYBRQXLPI-UHFFFAOYSA-N 433.553 2.282 30 10 IEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1748757488 DKAHCKQZZJLXLZ-QFIPXVFZSA-N 428.558 2.328 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCN(C(C)=O)CC1 1748860734 ZTQWLVILXSDKBG-JOCHJYFZSA-N 433.512 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCn1cncn1 1748951439 ZVKXHQJPSWHMNK-UHFFFAOYSA-N 448.300 2.224 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC=C 1749054189 PKPGOIBDUXVEIP-HTAPYJJXSA-N 443.573 2.494 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749238935 DWVGXGCVPOECMZ-QHCPKHFHSA-N 436.516 2.180 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749359233 WNPBDXFUIGHNGX-KRWDZBQOSA-N 440.552 2.048 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1749739789 JRQFNHBPFZJNAU-DYESRHJHSA-N 440.610 2.403 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1750140510 AKKUKTVQAIFKGB-HKBOAZHASA-N 444.580 2.391 30 10 IEEE CC(C)N(C)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1750882513 GMOXBKWDPTZZCT-UHFFFAOYSA-N 431.548 2.274 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCSCC1 1751251514 GBEOBICTKAOSFD-APWZRJJASA-N 446.552 2.335 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760192679 WORHUUUTRDWJCK-ZCNNSNEGSA-N 434.606 2.453 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC(C)C 1760244391 SUMKURWMPZZBKZ-UHFFFAOYSA-N 437.342 2.036 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn2ccccc12 1760244398 TWIIHJBRYBLEBB-HSZRJFAPSA-N 438.532 2.101 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1760258007 DXPRYNIQIFQFIE-UHFFFAOYSA-N 447.543 2.050 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1760262760 ZLXZCTRNUZVKAQ-UHFFFAOYSA-N 442.539 2.288 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)CC)CC1 1760267117 FUHCBSWYZAWHKI-NRFANRHFSA-N 430.940 2.120 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760345629 KXQQIJQEYGMCBF-GIVPXCGWSA-N 430.597 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2nccs2)C1 1760554379 BPZQACOIXGJRPH-HNNXBMFYSA-N 425.580 2.112 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)C1 1761542114 BSDYCAFKYWIVTP-SJKOYZFVSA-N 432.422 2.276 30 10 IEEE CC(C)c1nnc(N2CCN(C3CCC3)C[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763060393 RGBCEKJUEAJDDR-XGIGFIBQSA-N 441.580 2.239 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)OC 1764281480 DRWOSCCOWXFPTD-AOIWGVFYSA-N 440.504 2.088 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@H]1CCOC1 1767062434 SYHTZXFICDXLEY-UXHICEINSA-N 438.532 2.180 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1768930777 CVQOUBFOXCABCC-BJLXPSRBSA-N 431.562 2.153 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769723119 PEWNDRKDBQYROC-YVHXKWHWSA-N 430.553 2.398 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1770447005 WGWQCVSWJNUHRR-QFIPXVFZSA-N 438.463 2.229 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770745197 SFVQMWIJOKJQMU-QURGRASLSA-N 449.490 2.274 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1771048418 DWZUWBPIUSZUPH-QFIPXVFZSA-N 437.592 2.458 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCCOCC(F)F)c1 1771532117 PQOOMQWQORIVPE-SJORKVTESA-N 446.458 2.423 30 10 IEEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 1851228778 LAISNCOODKVJRU-FQEVSTJZSA-N 433.468 2.498 30 10 IEEE Cc1nn2c(C)c(C(=O)NC3CCN(c4cc(C(F)(F)F)ncn4)CC3)cnc2c1C#N 1851652995 VVLJMGPQSUGOBB-UHFFFAOYSA-N 444.421 2.425 30 10 IEEE CC(=O)N1CCN=C1N(C(=O)c1ccc(CC#N)cn1)c1c(Cl)nc(C)nc1Cl 1851688595 UWDCXSWQWRADBS-UHFFFAOYSA-N 432.271 2.418 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1ccc(F)cc1 1852828932 JQYMPRRQFLQWCM-RTBURBONSA-N 446.548 2.475 30 10 IEEE COc1cc(CC(=O)N2CCN(c3nccc(C#N)n3)CC2)c(OC)cc1Br 1853232281 UEDJMPFIDVZBNP-UHFFFAOYSA-N 446.305 2.019 30 10 IEEE N#Cc1cccc(OCC2CCN([C@@H]3CCCN(C(=O)[C@H]4CCCS4)C3=O)CC2)n1 1854439923 RRFMOZXGWZSTFL-RTBURBONSA-N 428.558 2.457 30 10 IEEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N(CCO)CCO)n1 1871636008 MOLNKKIVLIUKGL-UHFFFAOYSA-N 436.516 2.005 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874280045 ISSGBNIDNJJFLK-LTNVFZTJSA-N 445.545 2.146 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 1890025780 OWWBBPGITBQYQX-YADHBBJMSA-N 429.586 2.304 30 10 IEEE NC(=NO)c1ccc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cn1 1922335223 XNBQJPQSBGSPJE-UHFFFAOYSA-N 445.523 2.377 30 10 IEEE C#CC[C@@H](O)CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009817876 UKFYCDSRJMGUKJ-HXUWFJFHSA-N 429.561 2.436 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)C1 2015900012 LXIHREPOBISQFV-QFIPXVFZSA-N 439.553 2.336 30 10 IEEE C#CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2018032857 DJJVNQLNHJLVIG-QGZVFWFLSA-N 439.553 2.123 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CNCc3occc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2039816917 SWRPEQPHURRENP-NYHFZMIOSA-N 434.342 2.447 30 10 IEEE CS(=O)(=O)c1ccc(-n2nc(C#N)c(I)c2C(F)(F)F)nc1 2078912814 YQXDTLWVJPHNMI-UHFFFAOYSA-N 442.160 2.166 30 10 IEEE N#Cc1cncc(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1 2118167254 AYPSULYBRVAZQQ-OAHLLOKOSA-N 428.392 2.089 30 10 IEEE C#CCN1CC[C@@H](NC(=O)c2cc(I)ccc2Br)C1 2139349510 QJXHRVOMICFLFS-LLVKDONJSA-N 433.087 2.491 30 10 IEEE N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 2174787586 VSSWXKAUNIKUBO-GOSISDBHSA-N 433.461 2.013 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cccc(C#N)n1 2195273905 KDEFZJNTUDCRHV-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccccc1Br 2227477176 PZZLIZAGZLPPKA-LPHOPBHVSA-N 427.339 2.420 30 10 IEEE Cc1nc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247906722 PHWDBRWJAGTPHE-ZDUSSCGKSA-N 437.371 2.490 30 10 IEEE C[C@H](CCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255819815 HIIJDMOCSJRFGO-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)o2)OC1(C)C 2258242358 WSUWNHIMOPIVKN-LBPRGKRZSA-N 430.232 2.252 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267136348 JNCDBVRKGNNQJZ-CQSZACIVSA-N 448.373 2.109 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139363 FNNLDBNNZDTSSS-IEBWSBKVSA-N 438.381 2.421 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2267170767 ZZRCUVBAYRNASI-YLJYHZDGSA-N 436.365 2.416 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267491246 ANLDUSNIUWPSGB-CABCVRRESA-N 448.373 2.285 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1 2267517868 ZOGMYIWVFLQILT-UHFFFAOYSA-N 448.373 2.330 30 10 IEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268646143 STTOSIIBTXANIK-MPGHIAIKSA-N 448.369 2.437 30 10 IEEE CC1(C)OB(c2cc[nH]c(=NCCCn3cc(Br)cn3)c2F)OC1(C)C 2280757210 PTWRHRNJHWEQDC-UHFFFAOYSA-N 425.111 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315692924 CFXDTLOGFHBCOG-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NC1C[C@@H]2COC[C@H](C1)C2(NCCC#CBr)C(=O)O 2348839986 MHBYQDFBDUVZRY-PHDAOHEYSA-N 431.327 2.095 30 10 IEEE O=S(=O)(N=C1NCN(Cc2ccc3c(c2)OCCCO3)CN1)c1ccc(Cl)cc1 72460033 RUHKYEKLZWILPE-UHFFFAOYSA-N 436.921 2.156 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@@H]1c1ccccn1 72461210 QQDVRSDTDFERHX-KSSFIOAISA-N 444.451 2.162 30 10 IEEE COc1nc(N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)ncc1Br 430647297 PWEBYFRWBPNSGW-ZDUSSCGKSA-N 446.305 2.235 30 10 IEEE COC(=O)C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccc(OC)cc1OC 442161087 ACYCWGKQNKZWGN-SFHVURJKSA-N 425.441 2.243 30 10 IEEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)C2)cn1 466079555 WXJYOJKOLJUYBH-LJQANCHMSA-N 444.543 2.341 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H](CO)CC(C)C)nnc12 476825482 JBIBYJDHCPCTIY-OAHLLOKOSA-N 429.546 2.188 30 10 IEEE Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)nn1-c1cccc(C#N)c1 507623363 GZRYVHCRMILLSA-UHFFFAOYSA-N 447.520 2.269 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc2ccccc2s1 509011468 KEDPWNPTRGOLBF-OAHLLOKOSA-N 448.574 2.043 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 509731283 WDXJVJMSENGHAZ-NRFANRHFSA-N 427.549 2.054 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)CC1 522308780 GPQGGEOBPGZRCA-UHFFFAOYSA-N 427.593 2.048 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CC(=O)N2C)cc1 522518450 RYVSRKABLPEMSL-KIFXHHALSA-N 432.524 2.451 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 531869852 OCRNOOVLSBGDOT-MRXNPFEDSA-N 435.546 2.381 30 10 IEEE C=CCn1c(Cc2noc(Cc3c(C)nn(CC(C)C)c3C)n2)nnc1N1CCOCC1 545644744 XYXZPUYANPJFAU-UHFFFAOYSA-N 440.552 2.335 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 552715440 OWMGDZWSDMODNK-LIRRHRJNSA-N 441.575 2.137 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 580663189 VEDXPSZQEOCWRG-GOSISDBHSA-N 449.621 2.422 30 10 IEEE N#Cc1ccc(CN(CCCN2CCOCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586179297 ZRXDAOICDGYSIU-UHFFFAOYSA-N 444.513 2.380 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Nc3ccc(OC)c(-n4cnnn4)c3)cc21 586321543 QSWRCFCIGOYKPF-AWEZNQCLSA-N 434.456 2.266 30 10 IEEE COc1cc(C(=O)OCCN2CCN(C(=O)c3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] 586393590 PEUFZHYXTUVSPX-UHFFFAOYSA-N 438.440 2.090 30 10 IEEE C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 587404620 DFURLVDOJATCED-SUMWQHHRSA-N 445.463 2.137 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(C#N)cc1 740206820 VFGXPPFGUNGWDI-XLIONFOSSA-N 448.431 2.404 30 10 IEEE COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC#Cc1ccccc1Cl 746643879 MOZJVYFNELZQNV-UHFFFAOYSA-N 428.857 2.059 30 10 IEEE Cn1cc(C#N)cc1C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751825785 BTYMAKLKNUOHOS-GOSISDBHSA-N 439.497 2.033 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(C)n(CC)c2C)c1=O 758082232 CQBIEYKLPGVBSB-UHFFFAOYSA-N 445.544 2.376 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1=O 770113461 WYEOMWLTLRMXSQ-DQEYMECFSA-N 446.507 2.338 30 10 IEEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 778446995 LOUMDSUEHRRUDX-UHFFFAOYSA-N 444.532 2.364 30 10 IEEE CCOC(C)(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 780320616 SXAZJDXSWUGWRJ-GOSISDBHSA-N 445.589 2.373 30 10 IEEE C=CCn1c(-c2ccncc2)nn(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1=S 802746825 XGIWRKFHTZNELD-UHFFFAOYSA-N 434.591 2.119 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)NS(=O)(=O)c3cccc(-c4nnco4)c3)C2)c(F)c1 805900859 WTQKCFLVJLNVEY-OAHLLOKOSA-N 441.444 2.079 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 812177362 DLZJVRBXULCHTP-MRXNPFEDSA-N 444.540 2.083 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(C)c2)c1=O 838179596 ZEDUACFDIGMGJD-UHFFFAOYSA-N 434.517 2.259 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 858040550 FHQOYRBLFJTEHP-IBGZPJMESA-N 440.525 2.179 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1136734988 KLJXUVIKMLASED-UHFFFAOYSA-N 430.430 2.363 30 10 IEEE C#Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1141043343 VRQIENMIUXLVIE-RBBKRZOGSA-N 426.538 2.232 30 10 IEEE CN1CCC[C@@](O)(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 1141878429 WMFOLIUGRORTJT-GKYQZKGUSA-N 436.578 2.065 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1143217843 PCAZVKMROHARQG-AWEZNQCLSA-N 433.983 2.095 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1151443477 GNIGKMRMGBQTLT-JUUPBYPUSA-N 449.548 2.248 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OC 1155475778 SPIQSOQUHFBVSI-HXOBKFHXSA-N 425.485 2.142 30 10 IEEE O=C(CSc1n[nH]c(O)n1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157806918 GRJREUNNVSBZFL-RFZPGFLSSA-N 426.289 2.232 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)nnc1-c1ccco1 1158084980 RMKHLJOZNZVNAB-GDBMZVCRSA-N 436.559 2.384 30 10 IEEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1167951684 BEYNHJAJOKGKSC-YLJYHZDGSA-N 432.586 2.389 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1171440821 UJOZRBOMDFWMRU-LSDHHAIUSA-N 445.944 2.083 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CCC1 1286358154 BRIKBUDTQLCQEP-LJAQVGFWSA-N 433.965 2.232 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286373873 SXQIQWXXYKJVSW-LEWJYISDSA-N 441.601 2.451 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC=CCC1 1286437564 OUVQSYUAKZTBHW-UHFFFAOYSA-N 441.605 2.268 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1286442149 NGJCQNLGFRZBFA-UHFFFAOYSA-N 433.560 2.060 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1286521877 FDGTVRWXQXPDLC-XMSQKQJNSA-N 443.573 2.403 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCS(=O)(=O)CC 1286566658 SLTXLUZXQONNGE-QUCCMNQESA-N 433.578 2.116 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1286595852 JPQXUTDVVRRKEC-UHFFFAOYSA-N 436.560 2.176 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1C 1286744826 OUKAGHMRJZNZGX-UHFFFAOYSA-N 447.478 2.434 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286822905 IYLCEIYFZLOQBH-MOPGFXCFSA-N 429.546 2.159 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)CC1 1286830074 IZOXXZOFKARZMO-UHFFFAOYSA-N 430.559 2.082 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@@H](C#N)C3CCCC3)CC2=O)cc1 1288293870 HZMXWVMWYAXQDV-PXNSSMCTSA-N 446.573 2.269 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1288997937 VUIRIHYXEZQOJX-HOTGVXAUSA-N 448.449 2.499 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H](C)N(C)C)n1 1289982898 GXCWKPIOGJTAAK-GOSISDBHSA-N 431.548 2.192 30 10 IEEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1291154182 UQRQXTDSYLPBSH-IRXDYDNUSA-N 431.562 2.360 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOCC1(C)C 1291524663 QTAGIVFHBUIAKN-INIZCTEOSA-N 439.564 2.437 30 10 IEEE COc1ccc(-c2nc(C)sc2CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1293031621 DTKDNHCIWDDWGO-MRCUWXFGSA-N 426.498 2.312 30 10 IEEE CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294257550 OPTIOHKCVIMMAH-KRWDZBQOSA-N 430.557 2.042 30 10 IEEE CCn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCNC(C)=O)CCO2)cn1 1295902350 LTLNPCFLWCIQBA-NRFANRHFSA-N 448.531 2.137 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1300458699 KYBLUZFVAPCQCR-NVXWUHKLSA-N 440.529 2.103 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCOCC1 1300655159 QGDBITXNGBSMMZ-UHFFFAOYSA-N 434.544 2.302 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)c2ncc(C)s2)CC1 1300683751 SHPAPNURUYXTEY-FUHWJXTLSA-N 432.594 2.326 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCc2cnn(C)c2)CC1 1300706255 JUJNVIKOUIFNLH-UHFFFAOYSA-N 433.560 2.021 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301057227 RZPMBWFNQONIPM-MRXNPFEDSA-N 448.886 2.221 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cnnn1 1301308539 GLTDIOVCGLXDPA-UHFFFAOYSA-N 433.314 2.319 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1301611408 MAEDCGATEMGMRG-SJORKVTESA-N 443.639 2.155 30 10 IEEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1302202258 HARLQOWDOQJGJH-UHFFFAOYSA-N 449.563 2.331 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@](COC)(C(=O)OC(C)(C)C)C3)cc2C1=O 1302277911 LGWMADPYEFDNBE-QHCPKHFHSA-N 428.485 2.289 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1302322497 SRPDMXDVORGGLI-AMBJDXJFSA-N 440.573 2.079 30 10 IEEE CCc1nnc(N2C[C@H](C)O[C@H](c3ccsc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1306107708 AIIRCRILKYANGV-UVXWHEEHSA-N 442.545 2.395 30 10 IEEE C#CCN(Cc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 1307563521 NUSZFHYBDPDGPI-OAHLLOKOSA-N 431.514 2.413 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(C3(C)OCCO3)cc2)C1 1312468331 DLQJNVYFWSJCDQ-FUHWJXTLSA-N 430.505 2.464 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1316353925 AGTUBIHUTZJNGS-GOSISDBHSA-N 448.618 2.484 30 10 IEEE C=CCO[C@H]1CCN(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 1320039432 KVBAJVKOIZBRMI-HNNXBMFYSA-N 428.396 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H](C)C1 1358988974 KLCGAOUQFHVJEX-OALUTQOASA-N 430.516 2.199 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359008093 GGKXCFLTJQWYFY-KRWDZBQOSA-N 428.537 2.234 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2cc(C)no2)n1 1359027620 PHHWKGAYYSLCDO-UHFFFAOYSA-N 432.488 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCOCC2)CC1 1359040741 FMRQKSRRVKRCMP-UHFFFAOYSA-N 431.581 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(C)(=O)=O)C1 1359316701 URWQJRUPYGHDLP-OAHLLOKOSA-N 440.953 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1359328631 KBGBSKUWAORFEV-HXUWFJFHSA-N 440.573 2.092 30 10 IEEE C=C[C@@H](O)C(=O)Nc1cc(I)cc(I)c1 1450549160 UHJJSXMNCAYGRI-SECBINFHSA-N 428.995 2.381 30 10 IEEE CON=Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1457406279 APRFQOFBMUPRRO-IBGZPJMESA-N 444.532 2.351 30 10 IEEE Cc1ccc(-c2csc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1C 1460836428 SNZFVMHKGJUQCU-JXFKEZNVSA-N 430.555 2.236 30 10 IEEE COC(=O)[C@@H](NC(=O)CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(C)C 1460875629 KVLUPACEYRYHNG-NGZCFLSTSA-N 440.331 2.403 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1464023865 IWYGCNDZCGKBFD-UHFFFAOYSA-N 449.598 2.146 30 10 IEEE CN1CCN(Cc2ccc(CNC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)CC1 1467862634 BAXNJOGJLDETCM-UHFFFAOYSA-N 432.572 2.337 30 10 IEEE CCOC(=O)Cc1nnc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)s1 1476315832 CABMYYDJIBEJGC-UHFFFAOYSA-N 428.518 2.301 30 10 IEEE C#C[C@@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1ccc(Br)cc1 1477428470 ZOANSZNWEDWUOC-MRXNPFEDSA-N 432.322 2.207 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)noc1C 1502208149 HGTQZJWOVMIGJM-UHFFFAOYSA-N 428.518 2.341 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCOC1 1502634625 CZTPSOBCPJMZFQ-QHCPKHFHSA-N 440.548 2.353 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1503219423 CVVZISQNUOBGJR-UHFFFAOYSA-N 448.575 2.374 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1503850234 FMWSENXDIMVLLG-UYAOXDASSA-N 437.500 2.463 30 10 IEEE COC(OC)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1504010735 XZCQITTZZIAEFL-MAUKXSAKSA-N 447.561 2.258 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCCC2=O)CCO1 1505321896 FZNLULNGQDULNH-LJQANCHMSA-N 426.496 2.139 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507565431 BVWYWZJTLBMOLR-UHFFFAOYSA-N 434.548 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1507670328 HYJOBXKGPSIKLN-UHFFFAOYSA-N 447.564 2.342 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507694345 LWNXHVATQVXPRB-IBGZPJMESA-N 445.589 2.215 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCOC1 1507702290 ICEXNLLYFFNAIN-AUSIDOKSSA-N 428.533 2.272 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCN(CC)C1 1507704291 WNEKGLIPGRZFGU-INIZCTEOSA-N 449.397 2.474 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC=CCO1 1507704394 ZPMDZXOJEJCZJK-INIZCTEOSA-N 434.338 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(OC)cc2)CC1 1507740703 DGZIFVOEUFWEEQ-UHFFFAOYSA-N 425.533 2.032 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507913999 DJCQWCPLDRQXCM-IBGZPJMESA-N 440.596 2.277 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1508073825 YYMUIODFBIHWIO-UHFFFAOYSA-N 438.454 2.374 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1508088973 HSTWFQIGXKDUNV-QYZOEREBSA-N 446.596 2.343 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1508096256 DOZYLPXJAJJWES-LJQANCHMSA-N 427.553 2.162 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C(C)(C)C)no2)C1 1508122024 BUNBPKBFLDHNQG-HZPDHXFCSA-N 449.577 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1508142544 DYDOFKIPNWLUPK-JOCHJYFZSA-N 446.573 2.383 30 10 IEEE CC(C)(Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1508714326 GTCNFCPUMCTUIR-HNNXBMFYSA-N 447.425 2.238 30 10 IEEE C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1510034795 QBGJLLHEHPJFTG-MGPUTAFESA-N 429.456 2.016 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4cnccn4)nnc3N(C)[C@@H](C)CC#N)cn2)CC1 1515896720 GBQOSIKYJDZTPM-SFHVURJKSA-N 446.563 2.059 30 10 IEEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1517145478 APJPHOAFNWFRCN-UHFFFAOYSA-N 434.500 2.302 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CCO1 1518920086 ZTZSGAIBEDWCHU-OAQYLSRUSA-N 441.532 2.254 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1519039512 ZSJKECYVXPHYTM-KRWDZBQOSA-N 442.520 2.432 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1528682037 DGYCSDOMFIUTME-HXUWFJFHSA-N 440.525 2.042 30 10 IEEE C=CCn1ncc2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)cc21 1536839873 LIQHBXRDOJODSG-UHFFFAOYSA-N 426.498 2.496 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1539120705 YPBDLMPDQBALAQ-HXUWFJFHSA-N 441.557 2.118 30 10 IEEE C#CCCCn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539139093 AWUNQAWNAYHSRD-ZACQAIPSSA-N 432.569 2.281 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539226005 SCMICGQQLWLOPG-MSOLQXFVSA-N 449.527 2.326 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cccn2)cc1 1539238188 RUSMZRIUIBOOHT-DEOSSOPVSA-N 430.512 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1ccn(-c2ccc(F)cc2)n1 1539256654 DBUWHIARMUVQEM-UHFFFAOYSA-N 428.475 2.319 30 10 IEEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1539573775 DDSVSLJUXJMCQB-CQSZACIVSA-N 447.337 2.367 30 10 IEEE C=CCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540021903 WHJTYWLLDWKNHT-DENIHFKCSA-N 430.553 2.387 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1=CCCOC1 1540191147 DSKZLHJIDFDZBJ-UHFFFAOYSA-N 432.546 2.334 30 10 IEEE COc1ccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)cc1 1554962968 HBUGFPBKYBVBKC-IAGOWNOFSA-N 426.521 2.472 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1555475331 ZYNHVXCKABVXJY-MJGOQNOKSA-N 440.504 2.090 30 10 IEEE O=C([C@H]1CCc2nnc(O)n2C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633560 DDRRJIVZKRGCBV-BIIVOSGPSA-N 434.287 2.176 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3cc4ccccc4n3CC#N)CC2=O)C1 1558694369 OTCGFGCCFMXSPU-MRXNPFEDSA-N 437.500 2.115 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H]3CCCC[C@@H]3O)nnc12 1559039111 KLXLBBRHNFRGNG-YJBOKZPZSA-N 441.557 2.380 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2c(I)cc(F)cc2c1=O 1559428192 VRSYHCVERXMJOE-INIZCTEOSA-N 442.232 2.195 30 10 IEEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1561181909 HDTNYODIDLQNSW-UHFFFAOYSA-N 445.335 2.464 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)[C@]2(O)CCCOC2)cc1 1562197819 VBQPSJKWLZKYGG-FQEVSTJZSA-N 425.551 2.182 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1566485214 JRKVSVCYIDRRKF-QHCPKHFHSA-N 449.507 2.078 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)NCCc3ccccc3OC)n[nH]2)c1C 1568422177 VDUAEGUHHIYVQO-UHFFFAOYSA-N 436.516 2.173 30 10 IEEE N#C[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1)C1CC1 1584314550 VBGMDCPXJUOGQR-OIISXLGYSA-N 425.348 2.461 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)COc2cccc(Br)c2C#N)O1 1585053309 IQSXKURRLLDQBU-QANKJYHBSA-N 439.306 2.121 30 10 IEEE CC(C)(C)OC(=O)[C@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1586804373 HKEBFGWKCZQQGD-QKKBWIMNSA-N 433.892 2.182 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1586913770 MXSRTHZIWDNFDB-FQEVSTJZSA-N 436.516 2.418 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587739716 ZAXACMPLENTDRE-LJQANCHMSA-N 436.516 2.230 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1587749124 ARJRXONHFDOQDT-UHFFFAOYSA-N 425.581 2.078 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1588064593 LFQRCHMSYWKMMP-MSOLQXFVSA-N 449.527 2.326 30 10 IEEE C#CCN(c1nnc(COCC)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588074483 NKUJKZCTYBDAGS-QGZVFWFLSA-N 438.500 2.233 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1588134246 VCCZFYIQLKQVLM-IBGZPJMESA-N 437.519 2.269 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1588180493 GXHJYVHGBJCSLA-LMDPOFIKSA-N 449.621 2.335 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1ccc(C)cc1 1588637925 LJOIKYZCIZSSIZ-FQEVSTJZSA-N 425.533 2.344 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN(C)CC(F)(F)F)CC1 1588849124 ZRZCJUYBWSAPNO-UHFFFAOYSA-N 434.510 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1nccc(C(F)(F)F)n1 1589135396 YBZQTIXDWTZQQQ-LJQANCHMSA-N 435.454 2.460 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1589403708 CDAHWMLPATZAFY-HOTGVXAUSA-N 437.342 2.183 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593717006 ADQNWNVBIJEECO-UHFFFAOYSA-N 449.577 2.018 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1593833952 HIDVHIRLFRYPJS-IBGZPJMESA-N 438.937 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(F)cc(F)c1 1595785179 SMXYSNATKLJVLT-UHFFFAOYSA-N 436.488 2.194 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1595895800 QMPQRUWGXQCJAN-UHFFFAOYSA-N 432.516 2.004 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCN1CCOCC1 1613569427 IVBDREQGGHSDIG-QHCPKHFHSA-N 445.612 2.439 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)N(C)[C@@H]1C 1616142959 RUVOUOGARYZJOK-LYVARNGOSA-N 432.951 2.385 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1616302718 CVHWRGPUOXXJIY-MRXNPFEDSA-N 446.577 2.384 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccccc1OC 1616923264 YBTXRNPEIBYKGW-UHFFFAOYSA-N 433.516 2.465 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3CC#N)C2)CC1 1622115536 FMPZPVFSOMJNTD-GOSISDBHSA-N 434.562 2.068 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)c3c(Br)nc4n3CCOC4)CC2)cc1 1623602787 PIGHPVQHDYGVHC-UHFFFAOYSA-N 444.333 2.396 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)n[nH]2)c1C 1623898325 HOWFXCSHTLJIIT-UHFFFAOYSA-N 434.548 2.153 30 10 IEEE C#C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 1625078158 QVVDRXUFCGGXKY-ACJLOTCBSA-N 446.326 2.478 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1 1627295979 QXYQQTHWSMPHFC-IXDOHACOSA-N 449.573 2.457 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c1 1632194326 ZMFLFRUJVHNJGE-UHFFFAOYSA-N 446.475 2.360 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1632328477 HYUVDRSGBCLLMR-UHFFFAOYSA-N 436.491 2.171 30 10 IEEE C#C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]1CCCO1 1633398424 WSXDOQCESNRZSJ-HOTGVXAUSA-N 425.526 2.045 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3cc(C=O)c(-c4ccccc4)n3)C2=O)cc1 1634588855 RDOCLPNXOMUIJJ-NRFANRHFSA-N 427.464 2.152 30 10 IEEE CON(C)C[C@H](O)Cn1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cn1 1636418586 GNXMGKUONNTQQS-NRFANRHFSA-N 435.484 2.440 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC[S@@](=O)CC(F)(F)F)C1 1640356704 DDIYWJXDLLMQOL-RUZDIDTESA-N 438.269 2.184 30 10 IEEE O=C(c1cnnn1-c1ccccc1Cl)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854898 KSBHTXNFPKOFKW-UHFFFAOYSA-N 425.832 2.438 30 10 IEEE CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC#N)CCC(=O)OC)c2)cc1 1642946441 HRTLNKBJCVYHJC-UHFFFAOYSA-N 445.497 2.415 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 1643097495 YDURDQOGLMYQRZ-NRFANRHFSA-N 432.609 2.121 30 10 IEEE COc1ccc(NC(=O)CNC(C)(C)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1643799020 BUSTXYIOCZQWCO-UHFFFAOYSA-N 430.530 2.281 30 10 IEEE CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645938359 RHAQAXNHMWQKHR-AOOOYVTPSA-N 439.347 2.072 30 10 IEEE CC#CC[C@H](CO)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 1651273517 MXYRCBJZNOCBOC-OAHLLOKOSA-N 427.339 2.179 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OCC 1663975974 OCKIJBVNBXHQIT-SFHVURJKSA-N 444.575 2.037 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OC 1665547930 FJFSKRHFJXTFOO-ZDUSSCGKSA-N 429.438 2.156 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCCC(=O)N(C)Cc2ccccc2Br)C1 1678703575 QLLBFIDFGAPMBE-QGZVFWFLSA-N 435.366 2.194 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1682157412 ZAZCWZKUXZTZGK-NCOADZHNSA-N 433.471 2.225 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@](C)=O)cc1 1689868330 CUCGGDBVWKKEFO-MSGSRYAYSA-N 430.574 2.387 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1689893176 WDVOKDYODAYXTA-WMZHIEFXSA-N 442.585 2.390 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1689919176 FNUWBBWOPPLWIM-QGZVFWFLSA-N 431.924 2.362 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(OC)CCOC1 1689964859 ZLWZSDGMNGUHHT-JOCHJYFZSA-N 433.553 2.268 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1689982175 JAEATJYQLBDPCS-INIZCTEOSA-N 443.554 2.085 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690017184 AQENDNBOWYXEPL-XZOQPEGZSA-N 433.556 2.146 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)N1CCOCC1 1690091187 LGNBEVDANYBKNP-QUCCMNQESA-N 427.524 2.282 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)N(C)C)CC1 1690132085 GYHAZEUENJGXGF-UHFFFAOYSA-N 438.576 2.132 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(C)(C)N2CCOCC2)CC1 1690143984 IJZSZWXJDQKRQN-UHFFFAOYSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1690185844 HTVPYJLMQIRXED-UHFFFAOYSA-N 445.574 2.039 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1690346666 YXXKABHNLMWWNE-ZBFHGGJFSA-N 441.941 2.298 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690422023 ASVOVNCRDHCTEJ-KRWDZBQOSA-N 442.951 2.348 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690430930 XLKIMXOESMPPQN-SFHVURJKSA-N 434.548 2.425 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690465438 ARNJBTTXGSHHCE-GOSISDBHSA-N 435.536 2.152 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1690581084 KMIJBTLDIAPKBP-VAMGGRTRSA-N 444.580 2.121 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CC(F)C2)CC1 1690868153 UPDIEYBTPUNYPO-UHFFFAOYSA-N 439.539 2.165 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOCC(F)F 1693552777 UUEPKDIDVKWIBY-OAHLLOKOSA-N 448.474 2.067 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1694352293 VHUFEEHJTNUFHY-RBUKOAKNSA-N 443.596 2.188 30 10 IEEE CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)C1CCC1 1695551560 ZXVHEVYDPDPBFZ-AYAKEVCGSA-N 436.520 2.276 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1695795338 BCOSIIAYXFSYGA-HDICACEKSA-N 449.563 2.022 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C 1695874450 BACCHLUGIDVKLI-VQTJNVASSA-N 437.592 2.315 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@@H]1C 1697074763 DGOPUXNASGMZKV-SFHVURJKSA-N 435.532 2.356 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CCCCCCO)cc1 1698487107 AGTRMTONNCJPDW-HXUWFJFHSA-N 437.548 2.410 30 10 IEEE N#CCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)CC1 1698491486 DAPOQZFBRIAFBM-UHFFFAOYSA-N 427.463 2.354 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705491588 FMKSCYFUPUYHJP-SXLOBPIMSA-N 429.590 2.249 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705641194 WGKWGFFIWPBYBO-NQIIRXRSSA-N 426.590 2.370 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1705648721 XDXXKVMXWNLOAI-SFHVURJKSA-N 442.608 2.454 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705661875 KSLZEIVRWWJKSI-JKSUJKDBSA-N 432.550 2.233 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705905870 JUGIBFSLUIQUSH-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1705919019 VRABJBOPJPVQJX-MJGOQNOKSA-N 448.518 2.477 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCN2CCCC2)CCOC1 1706678116 BZBWQUMLSFLUAZ-NFBKMPQASA-N 446.596 2.314 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C 1710204831 HBZDNHBRACCPIW-AOIWGVFYSA-N 442.589 2.170 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1710606300 IDBFUYOUVAFNCV-VZDHWGDASA-N 433.459 2.368 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1711240068 MGSWISDIPSKSMQ-KNQAVFIVSA-N 427.505 2.149 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(C)(C)C(=O)NC)c1 1722304642 BKMQXZYJYXLMNB-UHFFFAOYSA-N 445.527 2.169 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)Cc1ccccc1 1722307086 YSRLEWXQLSYWIK-HOJAQTOUSA-N 446.573 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1722378141 QGIAMGQCUMKGAJ-UHFFFAOYSA-N 432.503 2.380 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722386309 SZTCAPXHWVUPDV-LJQANCHMSA-N 426.542 2.063 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1722509146 WNMIQVJHXXVFFJ-UYAOXDASSA-N 442.564 2.233 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCC)C1 1722699652 WSSRHRDHPNBAFP-VQIMIIECSA-N 427.505 2.098 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC)CC2)cc1 1722704636 LVMARQIDJCXPEA-SFHVURJKSA-N 427.505 2.284 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCO[C@H](C)C2)C1 1722717360 ADSAWTKVMDELHW-FCGDIQPGSA-N 438.594 2.167 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(C(N)=O)c2)CCOC1 1723665370 UVZOGCNBCGDTIV-OPAMFIHVSA-N 426.521 2.204 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cs1 1725345713 SPDLDTXCWFZAQZ-NQIIRXRSSA-N 447.584 2.433 30 10 IEEE Cc1nnc(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1726320020 RKMPRYVETQYPQP-MOPGFXCFSA-N 435.529 2.163 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1727700569 VGZWHUDMLXCGQJ-FUHWJXTLSA-N 446.577 2.293 30 10 IEEE CCOC(C)(C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1728733147 BJGFXCMHPGWMQP-CVDCTZTESA-N 446.596 2.310 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC1CCS(=O)(=O)CC1 1729396627 HHZWRBBGJJBCLQ-UHFFFAOYSA-N 439.545 2.011 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)C)C1 1729746003 HOQWNAQARWSRBQ-SFHVURJKSA-N 446.577 2.150 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1740596549 AYFDVUZJUMSBIA-GOSISDBHSA-N 443.573 2.334 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CN(C)C 1740610469 BKMSIINVBMAUJK-QGZVFWFLSA-N 434.585 2.244 30 10 IEEE C#CCN(c1nnc(CC)n1CC[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740623929 AEFWPXUMFHCFPN-QZTJIDSGSA-N 428.558 2.424 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOc2ccccc21 1740639636 DOLVKBYXJPCROC-RTBURBONSA-N 438.553 2.209 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)[C@H](C)CCC)CC1 1740692939 PYAOWJMKHNBWKY-QGZVFWFLSA-N 443.983 2.301 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1740697613 ABZIJENSKPNLPH-HSZRJFAPSA-N 447.562 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)CCOC)CC1 1740706348 SIGFXZUOHVOTHN-IBGZPJMESA-N 431.581 2.201 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740710974 HCJDWTXIXLHEJB-INIZCTEOSA-N 435.557 2.369 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1740726091 XWEHQQHPNLGBFP-JLTOFOAXSA-N 437.516 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)o1 1740751574 LYKHLRQRBYRIEH-BQFCYCMXSA-N 437.566 2.407 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@@H](CC)C1 1740964154 JJFQQMKETZTJGR-INIZCTEOSA-N 431.562 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740992049 LWIUYNBSSGBMAG-KRWDZBQOSA-N 436.582 2.228 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCOCC1 1740995509 NXNMKZCCZCCBAY-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)C1=O 1748046869 GLISFILFIQLSMS-NRFANRHFSA-N 437.529 2.300 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)ncn1 1748289020 GUAPIIZGWFCJDH-IRXDYDNUSA-N 439.568 2.096 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1748718534 KHEJOPNLPJZTJG-KRWDZBQOSA-N 427.578 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C(F)(F)C12CCC2 1748948313 LVUSAWFKMGNXKV-HNNXBMFYSA-N 430.459 2.447 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C)C(C)(C)C1 1749051429 IHRUVXUQSOCECC-XMMPIXPASA-N 443.640 2.215 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749283883 DEIBCEIJVHTKRW-QZTJIDSGSA-N 436.988 2.405 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749459872 UDPUKXCIKBPUOS-GOSISDBHSA-N 425.493 2.126 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1749911699 IQCVUJLANMHUGY-FRQCXROJSA-N 442.520 2.010 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C(C)C 1760101046 HJTIVBUAISWYCE-MRXNPFEDSA-N 431.610 2.345 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1760189855 MJRUPQSANJSYFG-LJQANCHMSA-N 443.573 2.088 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCC(F)F)CC1 1760262259 KEXLBAGQHQFGTB-UHFFFAOYSA-N 425.430 2.184 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(COC)CC1 1760284787 RYJYWBCFXHJASA-UHFFFAOYSA-N 433.603 2.499 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1760329576 DUURBFDTVWVJSD-AWEZNQCLSA-N 425.530 2.487 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)N2CCOCC2)C1 1760536503 HXQXMDRSJPAZRT-LEWJYISDSA-N 439.560 2.460 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)C1 1760537847 QUUNRUMLYJKMSM-UGKGYDQZSA-N 430.553 2.190 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1767102841 BEBSLIYBNQLEQZ-HYBUGGRVSA-N 436.608 2.420 30 10 IEEE CN(C)c1cccnc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1768499890 OUJZMKIDCSBZES-KRWDZBQOSA-N 434.460 2.091 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1769198906 FFTQUEGRHUMXEY-HOTGVXAUSA-N 434.566 2.216 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1769368531 GBJYIKQMPQGXKK-ZYSHUDEJSA-N 428.562 2.381 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C 1771112042 DVEBYFABUZIIEX-HOTGVXAUSA-N 441.623 2.078 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CCO1 1771538292 AMUFJJYNVUBSKJ-QFBILLFUSA-N 435.937 2.107 30 10 IEEE COc1nc(I)ccc1OCC(=O)N1CCC2(CC1)C[C@@H]2C#N 1849075973 RRMFHLRHWNMOJO-LLVKDONJSA-N 427.242 2.226 30 10 IEEE N#Cc1ccc(NC(=O)CN2CCN(C(=O)c3cncc(Br)c3)CC2)cc1 1851184866 MUSITRUNHOCKTP-UHFFFAOYSA-N 428.290 2.112 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCCCN(Cc2ccccc2)S1(=O)=O 1851647440 ADCNIBOTUUGTFG-UHFFFAOYSA-N 429.498 2.315 30 10 IEEE COCCN1C[C@H](C(=O)N(c2ccc(OC)cc2)c2nccc(N(C)C)c2C#N)CC1=O 1852779533 MQJTZUBYFRUIAT-MRXNPFEDSA-N 437.500 2.187 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c(Br)n1 1853039803 DCUUSKPGCPEWFZ-SNVBAGLBSA-N 429.230 2.436 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nc3ccccc3s2)C1)[C@@H]1CCN(C)C1=O 1857074366 HXFKPXYHXMNWHA-DOTOQJQBSA-N 426.542 2.394 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862599990 IZZKRCQSZJKCOW-GOSISDBHSA-N 429.425 2.076 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862738310 YRGOYKCNTDNCDV-ADLMAVQZSA-N 428.397 2.268 30 10 IEEE C=CCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545684 JDRJOCAAPZCNBF-UHFFFAOYSA-N 440.500 2.121 30 10 IEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729098 ORLPXAZNQDYXNF-UHFFFAOYSA-N 433.516 2.489 30 10 IEEE COc1ccc(S(N)(=O)=O)cc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1890167132 JPAMNOKTJBHTAS-UHFFFAOYSA-N 442.415 2.174 30 10 IEEE C#C[C@H](CO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 1984739816 NTSGZZHJKBXXGL-LLVKDONJSA-N 430.242 2.362 30 10 IEEE C=CCC1(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2010227511 PHKJAQZGQUQPQI-UHFFFAOYSA-N 439.553 2.334 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)[C@H]3C[C@H](OCc4ccccc4)C3)nc2)OC1(C)C 2043135975 ZVVDENZDQVWLSK-IYARVYRRSA-N 445.350 2.265 30 10 IEEE N#Cc1cc(N)ccc1S(=O)(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2162915575 LMSCALUVZCGONE-QGZVFWFLSA-N 428.514 2.468 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)n1 2194178787 HHLOEUBLCNETSL-MEDUHNTESA-N 446.176 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247862675 FPSVLPWEVQEYNE-UONOGXRCSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2248405305 SOGAGJLLSUHWDP-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)cc2C1 2255618413 ZGPAYKDGOODVLC-LSDHHAIUSA-N 432.330 2.477 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255633035 VQNARZTXUWAHQM-KBPBESRZSA-N 434.346 2.084 30 10 IEEE C[C@@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2255699828 SWIZVLVFTLIWQX-CQSZACIVSA-N 431.342 2.366 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255819916 ITVJQXVEQOGLBI-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2255874032 QIGPBAAPUCTGPW-HOTGVXAUSA-N 431.342 2.158 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2255958143 ZBQMLZKSQYPSIM-UHFFFAOYSA-N 432.326 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256887809 YWQDJKUGRORFRP-NRFANRHFSA-N 437.321 2.304 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094680 JAGIEENNKIYIIY-GASCZTMLSA-N 446.357 2.323 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)OC1(C)C 2267096840 LSCVGLUVSHJJAK-DEOSSOPVSA-N 436.365 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]1C1CC1 2267142219 REBMFKPAMTYRIJ-PBHICJAKSA-N 446.357 2.227 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267181302 QOIZSKCPHSASPH-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE Cn1nc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267196305 DMGOXLDLZZFMJA-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO[C@H]1C2 2267279532 IIUAPZSCBIDAAT-OXDBHQQFSA-N 448.325 2.133 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1 2269720113 WGGHOKMBMVRBDJ-MRXNPFEDSA-N 447.341 2.360 30 10 IEEE C=CCCC(C)(C)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270504659 WMHJBFXNBNDKFW-QGZVFWFLSA-N 426.535 2.366 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCOCCOCc1ccccc1 2337287122 HRZLGBJKQGPHSN-UHFFFAOYSA-N 443.353 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@@H]21 2341939529 CTNXOQXFPXPJQG-CVEARBPZSA-N 446.357 2.323 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)cc1 20248716 DMVUVOHCJUNNRY-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)c3cccc(OC)c3)n2N)c1C 59829870 UOKZSDMKUXBNQR-SSDVNMTOSA-N 440.533 2.421 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(OC)cc3OC)n[nH]2)cn1 59831805 UTBLNFCEBNJPHP-AWQFTUOYSA-N 442.505 2.381 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1 96573421 ZPPFEPDHPQTHNL-JPYJTQIMSA-N 429.517 2.172 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)c1=O 101350945 CBQVJSNLRZGGFS-UHFFFAOYSA-N 441.513 2.352 30 10 IEEE COc1ccc2c(c1)nc(C1=C(N)N(c3ccc(N4CCN(C)CC4)cc3)CC1=O)n2C 170177726 HPDBLJPZWKUYLM-UHFFFAOYSA-N 432.528 2.050 30 10 IEEE N#Cc1ccc2ncc(CNC[C@H](O)COc3ccc(I)cc3)n2c1 238057721 YRIPVUZQLZUHQE-INIZCTEOSA-N 448.264 2.340 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)ccc1C(F)(F)F 410333510 PQOLTSSGZHOVRR-UHFFFAOYSA-N 438.431 2.221 30 10 IEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1CCC(C)C 441293155 DEYUCJUYYNUOHJ-UHFFFAOYSA-N 429.546 2.256 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2cc(Cn3cc(Br)cn3)on2)cn1 461324246 QVSDFVAFWSRICV-UHFFFAOYSA-N 439.233 2.387 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 461373609 JYLPRNUOCLNNGQ-LJQANCHMSA-N 440.565 2.353 30 10 IEEE CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 484297177 SSZMWAFFGMZVGV-RDGATRHJSA-N 440.588 2.319 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 494259162 HZAQXRSNNWDYFD-IFMALSPDSA-N 435.528 2.288 30 10 IEEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CC1 504968949 KQAIJURMMROUTN-UHFFFAOYSA-N 446.555 2.495 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 508746464 KBRWOTQKTCGGLH-NRFANRHFSA-N 436.560 2.245 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2o1 508827036 PPZFDKWPXUYQSY-GOSISDBHSA-N 431.518 2.180 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 508909205 YCWCFSUUNNYTSG-QGZVFWFLSA-N 435.887 2.307 30 10 IEEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516372750 OKCQVNOPXSDBCQ-UHFFFAOYSA-N 427.570 2.363 30 10 IEEE N#Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1Cl 548630169 OPTDKBAFWNCOMJ-UHFFFAOYSA-N 425.919 2.224 30 10 IEEE N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 561342382 NBJNTLHYXGRTII-LSDHHAIUSA-N 431.901 2.409 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 564073645 NTQBKXWJCWDGHZ-UHFFFAOYSA-N 441.532 2.361 30 10 IEEE Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(Br)c(C#N)cc3F)C2)cn1 564245452 SEXOLTIRFZVDPL-GFCCVEGCSA-N 442.314 2.141 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccs2)CC1 573010153 MNRCTBBPGVERIX-QGZVFWFLSA-N 437.591 2.123 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)c(OC)c1 573214804 FWKUIMSSLKEAFT-UHFFFAOYSA-N 438.484 2.252 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(C#N)ccc1C 579399104 PVVKROALNIOLPU-UHFFFAOYSA-N 442.541 2.454 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(C#N)nc2)c1 609643020 YZMWFDAOHZCCDW-UHFFFAOYSA-N 443.529 2.073 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)ccc21 615911591 GURWOISXQSJMMB-LJQANCHMSA-N 434.500 2.268 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccccc1OCc1cn2ccccc2n1 732152609 DZKGVQYRXOIHME-LNVKXUELSA-N 431.452 2.170 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)cc1 746680320 KDOHPXQZXXILJN-UHFFFAOYSA-N 437.543 2.076 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772904670 OCTAIIJAYRNMHB-UHFFFAOYSA-N 445.610 2.474 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCCc2c(C)nn(C)c2C)C1=O 774583092 QCFMRWABCBRTIP-YPYXJLKGSA-N 442.589 2.043 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 780980780 BIGOUIDGDHKSQR-KRWDZBQOSA-N 435.550 2.367 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)n1 788852560 AMKAHBSHXUZMBY-QHCPKHFHSA-N 439.560 2.056 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2sc3nc(COC)nc(OC)c3c2C)n1 790109304 VFYWIQZQOPLYAC-UHFFFAOYSA-N 443.529 2.273 30 10 IEEE CC1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCOC2)O1 794315050 UMODBVFUWARPCI-JOCHJYFZSA-N 449.573 2.082 30 10 IEEE Cc1nn(C)c(N2CCN(Cn3c(=O)oc4cccc(Br)c43)CC2)c1C#N 794646411 SQLBUTVPZBKXFP-UHFFFAOYSA-N 431.294 2.050 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCN1C1CC1 800605376 HNJCMDJLOLUVDB-CYBMUJFWSA-N 430.814 2.418 30 10 IEEE CC[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)OC(C)(C)C 804158427 VCMBEWROOFSUKL-YJBOKZPZSA-N 432.496 2.465 30 10 IEEE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 805584420 CZCXLMZNUMVHBX-PBHICJAKSA-N 438.459 2.454 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2coc(-c3ccc(F)cc3)n2)nc1 809173909 QDHBSJUNCKTTJY-UHFFFAOYSA-N 435.458 2.136 30 10 IEEE COCc1nc(OC)c2c(C)c(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)sc2n1 916777796 UPQIKKPDKGGGBD-UHFFFAOYSA-N 446.510 2.286 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 918571413 XZMDOFINNYRVGL-FQEVSTJZSA-N 443.525 2.403 30 10 IEEE Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cnn1CCC#N 1124429669 XPISYPFQCWLHPI-UHFFFAOYSA-N 437.909 2.032 30 10 IEEE COC(=O)[C@H](CC1CCOCC1)NC(=O)COc1ccc(C#N)c(Br)c1 1132922219 ZIJBEWURJMHBRY-INIZCTEOSA-N 425.279 2.174 30 10 IEEE C[C@@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134274833 BNIVMFABTUKAOW-WQGACYEGSA-N 429.361 2.326 30 10 IEEE COCCn1c(NC(=O)c2ccc(C#N)cc2F)c(NCc2ccccc2)c(O)nc1=O 1143448491 DMLWCZWJWGAVOX-UHFFFAOYSA-N 437.431 2.470 30 10 IEEE C=C[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1148559720 XDNKKEVGWSMVIG-LEHBWIKQSA-N 436.508 2.424 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)c1 1158890157 VUXWKZKMJGEVRR-UHFFFAOYSA-N 446.550 2.318 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN[C@H](CCO)c2cccc(OC(F)(F)F)c2)nc1 1171502488 YLJOLFDKLLQJCP-MRXNPFEDSA-N 429.420 2.339 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1286356423 IHNYGWYLOMYMSP-UHFFFAOYSA-N 428.500 2.259 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1286546883 BDGINYLQAUWCJU-UYAOXDASSA-N 441.580 2.482 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286565364 JPSKOSSWQMBYOK-ZJOUEHCJSA-N 446.596 2.378 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)CC1 1286707948 LHOMUNNVNAEDRG-UHFFFAOYSA-N 437.342 2.297 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1286709736 CROBRPRJFAROIX-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 1286791911 HBTBRVSUWIZTJV-MRXNPFEDSA-N 432.956 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cccs2)C1 1286811906 JSDQGIQHGAKRRP-IIBYNOLFSA-N 431.562 2.151 30 10 IEEE Cc1ccc(CNC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 1288687685 UURNNJLHDZXDBL-UHFFFAOYSA-N 435.546 2.297 30 10 IEEE O=C(N[C@H]1CCN(O)C1=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 1298427612 WQQHZHAVPJACFW-HNNXBMFYSA-N 431.495 2.422 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc(Cl)c(Cl)c2)cc1 1298620023 VCHBSDHOCAXYHV-UHFFFAOYSA-N 428.297 2.339 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1300501859 NWQJJTFILNJUMO-SQUITACLSA-N 428.558 2.493 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)Oc1cccc(F)c1 1300538944 WDVNDFPHABRHAA-MJGOQNOKSA-N 444.532 2.250 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Sc2ccccc2)CC1 1300680959 HLAHBQJZPJOYFF-SFHVURJKSA-N 426.590 2.352 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2nc(C)c(C)s2)CC1 1300731030 KVIBJYUYIHIPST-UHFFFAOYSA-N 430.578 2.096 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1301267887 CNBJXRSMYNSIBA-UHFFFAOYSA-N 433.516 2.433 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)C1 1302434618 LCVZIQYCQLTCHW-LJQANCHMSA-N 431.562 2.383 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1303898832 CBDVJEYVANWQJE-ZWOKBUDYSA-N 444.511 2.007 30 10 IEEE CC1(C)CCC[C@](CO)(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1307940860 LHAABXDXERFWEQ-QHCPKHFHSA-N 441.532 2.376 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1C 1308080467 YVIQPKQLLSFFHV-OAQYLSRUSA-N 443.573 2.145 30 10 IEEE C=CCC[C@@H](NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1312334710 RVLKPQUARPIDRW-QGZVFWFLSA-N 439.520 2.170 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C1CCOCC1 1313042881 JRETXQYHIGDVOU-RBBKRZOGSA-N 425.577 2.054 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2occc2C)CC1 1313990085 HHTWFDHDQYARFH-UHFFFAOYSA-N 433.516 2.025 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1316532174 MWRGMLMNNDFWNB-RLFYNMQTSA-N 430.450 2.498 30 10 IEEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1354933859 XGVNJMSOVIHKLS-LBPRGKRZSA-N 438.855 2.230 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1358879088 KMIPJGVGWFMAJJ-OPAMFIHVSA-N 430.574 2.250 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2([S@](C)=O)CCC2)c1 1358903032 JFFSHAJWXMXFAM-HKBQPEDESA-N 443.573 2.172 30 10 IEEE C#CCCCn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1358935893 WTTFSZDDZAKQDA-CVDCTZTESA-N 432.565 2.366 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1358962004 ILUPQZSQDADLNR-JXFKEZNVSA-N 434.587 2.142 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358967069 CUIKIYKHGDTDCE-RTBURBONSA-N 444.557 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC)c(OC)c1 1358997197 JAIHUVDUQJCDSS-UHFFFAOYSA-N 435.528 2.319 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1359071840 FKOQCWSBPSJMFE-XMSQKQJNSA-N 445.564 2.424 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)NC)C1 1359076469 CGJLAYVAZRQLAN-CYBMUJFWSA-N 441.374 2.068 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)CC1 1359174340 AHPUOHWXWDHVDY-HSZRJFAPSA-N 433.597 2.443 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)COCCO1 1359278680 CFMOJWZSYSYJMH-SFHVURJKSA-N 440.342 2.480 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359304622 DBHVEJPCAHLGIJ-HNAYVOBHSA-N 429.496 2.302 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOc4c(F)ccc(F)c43)C2=O)cc1 1437390976 JFRVXFJJEZQPAN-INIZCTEOSA-N 426.379 2.467 30 10 IEEE C[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 1447714815 SIVNDRKNQNKBGT-HNAYVOBHSA-N 447.557 2.286 30 10 IEEE CN1C(=O)C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H]1c1ccc(F)c(F)c1 1462824530 HPSBIULQSPLBTB-QOEFQVSFSA-N 438.434 2.278 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 1463830891 LHTXWULVUGILMV-GOSISDBHSA-N 430.379 2.432 30 10 IEEE CSCC[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1nnc2ccccn12 1468292320 CKNRKOBETUFTKN-SFHVURJKSA-N 436.545 2.322 30 10 IEEE Cn1c(Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c(C#N)c(=O)n(C)c1=O 1472801031 HCAFBZGZUHNJRW-UHFFFAOYSA-N 449.696 2.360 30 10 IEEE CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1473904961 BFIYFZSOUMCALU-VQTJNVASSA-N 435.613 2.400 30 10 IEEE COc1cc2c(cc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)O[C@H](C)C2 1504132583 DKVCOVUMLGLHAL-PEBXRYMYSA-N 442.495 2.239 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1507564240 NGHSGFRDSTUPJH-YLJYHZDGSA-N 443.573 2.496 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCNS(=O)(=O)CC 1507605937 ZEVQESSQMMNEAI-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1OC 1507648466 OEBZTNLAUQYBDJ-FXAWDEMLSA-N 430.512 2.080 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1507686712 GNCCVXUTNXKWHE-RTWAWAEBSA-N 436.560 2.071 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCCC1(C)C 1507706866 QAFWWYJJLQUOTN-LJQANCHMSA-N 446.573 2.250 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507750329 QRKMAFMYLYJICP-UHFFFAOYSA-N 447.568 2.132 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1507761206 KUSKBSCGQQIICA-FGZHOGPDSA-N 427.553 2.317 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1507762925 FWOPSTYTVDIPLY-XMMPIXPASA-N 446.511 2.497 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1507832250 VZSGNQKOZYUBEB-GOSISDBHSA-N 437.541 2.353 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507965437 RYUKGAVQXJEVRW-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1508021998 VRTXCDYYLIIJJZ-SJORKVTESA-N 430.530 2.199 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCOCC2)C1 1508117973 SVEDMYQLGZPCLO-WMZOPIPTSA-N 432.956 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508135659 KPYBOPWHPKFFEQ-WOJBJXKFSA-N 446.573 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(N(CC)CC)CC1 1508137813 RMWPPDFBILBWFW-UHFFFAOYSA-N 432.594 2.252 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1508189404 VNEXXAMGPHGRCW-NRFANRHFSA-N 433.560 2.383 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)c1 1517117946 USSQCPUNILVCPO-QGZVFWFLSA-N 427.254 2.267 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)SC 1519324216 WNNWRLMSEHPMKT-IAGOWNOFSA-N 445.593 2.347 30 10 IEEE C=C[C@H](CC)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1524034898 NMLPDZRXKPDPTD-CYBMUJFWSA-N 441.937 2.106 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1533082417 CFFGGAJZWOIODZ-UHFFFAOYSA-N 429.498 2.176 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)C2)nc1 1534510200 OBHLSMBQTCUULQ-GDBMZVCRSA-N 439.403 2.033 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)c2nccnc2c1 1535350101 YXKABJHDVBWIQW-LBPRGKRZSA-N 438.289 2.405 30 10 IEEE C=CCN(C(=O)c1cc(Br)nc(Br)c1)[C@H]1CCS(=O)(=O)C1 1537473925 ISNNOTWFUAXQNE-JTQLQIEISA-N 438.141 2.422 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)nc1 1539190608 OHTNUWHRXPAMFB-UHFFFAOYSA-N 429.572 2.464 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539202440 IWECEHLJOCBOGQ-ZWKOTPCHSA-N 435.619 2.393 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCC1 1539265527 HNQQTOAHIWXPHI-UHFFFAOYSA-N 432.576 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nc(C)cs1 1539306570 JFOOWJREWGNVMU-UHFFFAOYSA-N 429.513 2.197 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1539344808 KPDHDQPWPZKYHJ-CVDCTZTESA-N 442.564 2.179 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ccn(C)n2)CC1 1539431044 OKNWEFFULWZAOZ-IBGZPJMESA-N 449.559 2.354 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1539513216 LXXURAQXNNVJFB-UHFFFAOYSA-N 425.484 2.176 30 10 IEEE C=C(C)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733716 MIWDIFZXNMOBBH-OAGGEKHMSA-N 441.598 2.494 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1540868798 RVUVVLGMIQTMGC-UHFFFAOYSA-N 432.488 2.251 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N2CCOCC2)C1 1540885074 BDZNUFHOUNNTDE-GOSISDBHSA-N 431.924 2.239 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1540969890 ATBIPOMWYJRRFA-NRFANRHFSA-N 436.516 2.132 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1542679261 VIDISFVGOADGBY-CYBMUJFWSA-N 425.482 2.110 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1542837479 SWLUKHXZARBDJK-KUHUBIRLSA-N 427.501 2.298 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1547801465 FZYPSLSYBONGJQ-IRXDYDNUSA-N 433.557 2.413 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1552735808 YEJGKRBFGQJGQV-HSZRJFAPSA-N 440.548 2.458 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1554149894 CFSRHHGFPOFMTD-HXUWFJFHSA-N 436.541 2.207 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1555328247 IKDQWVUDXWVGJV-INIZCTEOSA-N 446.414 2.458 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccccc3F)nnc2N2CCC(C#N)CC2)CC1=O 1555573547 CAHWIFRQSQVFAL-QGZVFWFLSA-N 426.496 2.319 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1555637120 PENWJFPZSCZQTG-MGPUTAFESA-N 440.520 2.311 30 10 IEEE CC[C@H](O)Cn1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1558634261 YRHZFYCFLFELGU-CIUDSAMLSA-N 436.303 2.292 30 10 IEEE COC(=O)C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@H]1C 1560150407 ZQYFOBQZSILVED-KURKYZTESA-N 442.560 2.487 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 1563627355 PQBOJVUOIZATNU-UHFFFAOYSA-N 449.573 2.348 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCCNC(=O)OC(C)(C)C)ccc1F 1567461288 UFFGGURIBGGNGQ-UHFFFAOYSA-N 429.514 2.325 30 10 IEEE COC(=O)Cc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]c2ccccc12 1568505032 LPNUGMISHNEXFJ-HXUWFJFHSA-N 430.464 2.286 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 1570812992 AMSNMPCKKBTUNR-HNNXBMFYSA-N 431.294 2.043 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c(F)c1 1584348556 YQHZAEBVHLBHOH-ICSRJNTNSA-N 437.393 2.157 30 10 IEEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1585566635 FWYDSMINXOGNBV-ZIAGYGMSSA-N 444.948 2.388 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)cc1 1585995240 BFRTZHUODXFMDL-UHFFFAOYSA-N 435.509 2.369 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588029050 CUVIJQVONNMJAD-OALUTQOASA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588039710 CMGHJBBFRQAVGT-XMSQKQJNSA-N 444.557 2.150 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588040917 RWUUCRRELWOBGU-ICSRJNTNSA-N 446.573 2.251 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1588050632 UCDVTHIGXLBLFC-MRXNPFEDSA-N 444.586 2.216 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C 1588229074 QMLSBSBMJCZKRQ-YJBOKZPZSA-N 429.546 2.052 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@@H](C)C1 1588420919 UORUVCSFGUGFAN-FQEVSTJZSA-N 435.576 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(CCC)C2)CC1 1588913807 QXAMTZUDTZBATQ-IBGZPJMESA-N 435.576 2.038 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1589134786 PNQHSFCDVYDECD-NJDAHSKKSA-N 446.665 2.491 30 10 IEEE C=C(C)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593677879 RKTXFPCGALQMRG-XHSDSOJGSA-N 439.582 2.248 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 1595790859 SBEJEFZULHSTAG-HXUWFJFHSA-N 443.594 2.323 30 10 IEEE CN(C)c1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)N(C)C)cc1 1603554215 AIFPCNAAPZWADC-HXUWFJFHSA-N 432.521 2.222 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)CCO2)cc1 1611504497 NKYVTCHGRASBJW-NRFANRHFSA-N 440.521 2.481 30 10 IEEE Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)C2)n1 1612472902 CGEDVUREQWVCNK-FQEVSTJZSA-N 447.547 2.391 30 10 IEEE CCC(O)(CC)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613663287 BXRNYXPAOCVWFW-HNNXBMFYSA-N 444.536 2.088 30 10 IEEE CC[C@]1(C)CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1613711129 DOWRJBYDQPSDSH-YKNSSVCLSA-N 428.537 2.467 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1616222065 ADGXMTNBLZPLCU-FCHUYYIVSA-N 432.569 2.223 30 10 IEEE C#CCOc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1 1617273619 ZAACEYPUSGMDBF-HXUWFJFHSA-N 444.509 2.367 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 1623494539 MGEWXZHKIGJYAI-LJQANCHMSA-N 446.460 2.160 30 10 IEEE O=C(COc1ccccc1CNC(=O)C(=O)/C=C\c1ccc(F)cc1)NC[C@H]1CCCO1 1624826020 BSGFMTCFPPNDII-FNUUXAGOSA-N 440.471 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C2CC2)C1 1627890086 GWUMTGFPMXCXDY-UHFFFAOYSA-N 433.530 2.083 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1 1631311700 CUNFLECTBKSBIE-UHFFFAOYSA-N 427.523 2.120 30 10 IEEE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cn1 1636418590 GNXMGKUONNTQQS-OAQYLSRUSA-N 435.484 2.440 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(c3ccc(Br)cc3)CC2)cc1 1637568457 HGSXBTKPGHKDKO-UHFFFAOYSA-N 448.342 2.447 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](O)[C@H]1CCc1ccccc1 1639146424 KDOCTZXWGQRBQP-WTOYTKOKSA-N 441.553 2.210 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c1 1640768473 AJNDNDFIZYHZSU-NRFANRHFSA-N 426.379 2.061 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)c3cc(F)ccc3F)CC2)cc1 1648769644 CXICRZNPKSSXOL-HXUWFJFHSA-N 449.479 2.087 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1648820452 SOZOBSWXHHIUSL-MAUKXSAKSA-N 446.495 2.314 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](CC)OC[C@H]3C)nnc12 1651132358 XOOPQJUOFHCJFZ-CABCVRRESA-N 427.530 2.348 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)COc2ccc(S(N)(=O)=O)cc2OC)cc1 1653118808 QWJNWBMGUDYWKB-UHFFFAOYSA-N 433.486 2.067 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)CC1 1672984686 ZWHLMCMMGZJDHM-CRAIPNDOSA-N 430.480 2.366 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1682701717 FNXJIXABPJZBFN-KURKYZTESA-N 438.569 2.315 30 10 IEEE N#C[C@@]12CN(C(=O)NCC/C=C\c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1684316834 DFJPWUIPUIRRBF-DSLAASLSSA-N 438.347 2.432 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1689979492 CHRSKXLVPDPIIQ-ROUUACIJSA-N 444.605 2.285 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690488536 PSEIOTAZQLBHLG-MRXNPFEDSA-N 429.550 2.073 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1690620048 NETNDIBVWOIUDW-UHFFFAOYSA-N 449.559 2.093 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1690667044 OOYWSGNVACTWJF-GOSISDBHSA-N 447.543 2.148 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)c1 1693229468 GSLZBAWDDGEBSG-CTNGQTDRSA-N 441.532 2.338 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@](C)(C#N)C1 1696478016 QEXPJMGOLHBWPA-IBGZPJMESA-N 432.506 2.418 30 10 IEEE CN(CCC1CCOCC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1696791376 AVTXBUBUHICTMP-VHEBQXMUSA-N 430.553 2.355 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1697776225 QBOBALRGTHGXBY-DENIHFKCSA-N 428.512 2.102 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)NC(C)(C)C 1698244054 IDGZWMDXDWNPJJ-HKUYNNGSSA-N 432.569 2.437 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705524615 PTAXYZRUKIAQRC-CRAIPNDOSA-N 431.924 2.436 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705526055 DJSDZPLQZXJTAN-QHCPKHFHSA-N 439.516 2.101 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1 1705588175 YMSWEYZGOWJQLM-UHFFFAOYSA-N 433.491 2.252 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1705612265 DBWAEIDLVIMBML-CYBMUJFWSA-N 427.452 2.102 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2c(C)cccc2C)CC1 1705653137 ZWACXRYEOPSSRD-UHFFFAOYSA-N 439.560 2.476 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1705950152 SYAOGXFLRJVTAP-HKUYNNGSSA-N 445.593 2.038 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1711563062 GUUQOCDTNKTJIK-PMACEKPBSA-N 439.564 2.436 30 10 IEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cn1 1711853640 MQIWQJZDNACYET-UZLBHIALSA-N 434.500 2.388 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722370582 CPSUOJUIGPENFA-IBGZPJMESA-N 449.646 2.287 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(Cn2cccn2)cc1 1722372907 CIBZULBCWZQYGS-RUZDIDTESA-N 444.539 2.296 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)N(C)C 1722376789 CRZNUWXDCLYCNV-UHFFFAOYSA-N 444.333 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN(C)CC(F)(F)F)CC1 1722444391 JCHWGYDLXVVAFY-UHFFFAOYSA-N 428.503 2.036 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722455891 RKOUQQFZZDNAHN-LJQANCHMSA-N 439.589 2.369 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1722466616 AXXYZJMVMYGBQY-IIBYNOLFSA-N 430.578 2.253 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722591074 LLOJNFTUFFUVHT-KRWDZBQOSA-N 429.569 2.169 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722685902 NRNSWAUBUVNMQC-FQEVSTJZSA-N 430.597 2.476 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1723119509 REYYVMNEZHDXCE-YADHBBJMSA-N 443.573 2.239 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1723779825 NZUYUKMKPVASCB-ZDPZECHZSA-N 448.568 2.486 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1730385418 CKPIRTRSINZOFE-UVZMZRMNSA-N 436.516 2.333 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC1(N(C)C)CCOCC1 1730941522 GSGFUAXVXCAVCB-OALUTQOASA-N 446.596 2.243 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CCN1C1CC1 1731188894 JLBFWODEVAQHSS-CQSZACIVSA-N 438.483 2.207 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1740533913 VQJICYNFQHFSNA-ZIAGYGMSSA-N 439.969 2.251 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCN(C3CC3)C2)c1 1740565595 XUDNTEFWXZXJHM-IBGZPJMESA-N 436.560 2.355 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1740618393 GYAZJHODLFGINC-SFHVURJKSA-N 436.965 2.388 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740630378 BUOBJCVMNJBZFL-WZONZLPQSA-N 445.564 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCN(C)C1 1740644118 UGBAOJSXQCSVBY-OAQYLSRUSA-N 448.354 2.303 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCCOC)cc2)CC1 1740695899 HBTDNNOLPQJSIS-NRFANRHFSA-N 439.560 2.001 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740742823 CLWSOYPCHHAXKC-KGLIPLIRSA-N 434.342 2.385 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740762648 VHRBIWVTIYKKBD-GHTZIAJQSA-N 432.613 2.058 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)C1 1740985454 QGUHDOHKUIYBEV-IXFSTUDKSA-N 444.532 2.187 30 10 IEEE CC(=O)NCCCn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@]1(OC(C)C)CCOC1 1741121268 TZZSVVHWPCAHOV-QHCPKHFHSA-N 440.548 2.353 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1741126356 REGHJIFWPQWZGL-KGLIPLIRSA-N 447.540 2.347 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1741162635 AARBYZICKZPXOE-QHCPKHFHSA-N 439.539 2.366 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1741800290 RKXCMDHCTWTKIT-JKSUJKDBSA-N 430.509 2.187 30 10 IEEE CC1=C(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1742036874 QXJXGJRRQZAIJM-UHFFFAOYSA-N 429.546 2.424 30 10 IEEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1743036962 UKAOIQJUDDBLHS-KKSFZXQISA-N 431.562 2.239 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN(C)C 1748650010 WNQWTWMJPFBVSR-KRWDZBQOSA-N 446.621 2.241 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2ccn(C)n2)c1 1748691922 OMZYLGLIGBFAOA-UHFFFAOYSA-N 426.484 2.178 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748809354 LLNWONXQBNNONV-OALUTQOASA-N 428.558 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1749004507 KTCUXCRNBBPCEZ-MRXNPFEDSA-N 446.596 2.455 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749129409 CUGJITJTDRBBKS-NMLBUPMWSA-N 431.581 2.456 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)C(=O)C1 1749373157 FXUFCCUUEQGDMK-UHFFFAOYSA-N 429.569 2.037 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749450254 ABJKEUHXDZXOEQ-JJTKIYQPSA-N 426.521 2.115 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1749575869 YJIHSHQWBOFLBC-IIBYNOLFSA-N 434.537 2.405 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCc1ccn(C)n1 1749805991 CWIOQKZJYKTBPQ-UHFFFAOYSA-N 445.531 2.179 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1C(F)(F)C12CCC2 1751206282 IFRSNWQVIAAITJ-UKRRQHHQSA-N 442.536 2.454 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOCC1CCOCC1 1751928403 MITCUOOJWNMLCQ-UHFFFAOYSA-N 425.537 2.013 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1760100691 XSGBLCXFCBECQT-UZUQRXQVSA-N 425.533 2.138 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1CCCO 1760105785 VBIFPNKJLHOVGA-IEBWSBKVSA-N 427.549 2.267 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1760176345 HRZYGGFPMKUZCV-KRWDZBQOSA-N 430.553 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(NC(=O)OC)c1 1760194072 YMOSHGZEVRJVRW-UHFFFAOYSA-N 436.516 2.496 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1760198800 JFLVRJITJOEFMM-LJQANCHMSA-N 437.544 2.003 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCOCC1 1760221322 RLGIJZARSVYXBV-GOSISDBHSA-N 426.590 2.065 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1760257772 IYZYIKNQKIMONM-LJQANCHMSA-N 437.523 2.431 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760306545 IKIHCGHCPDAKMA-UAGQMJEPSA-N 440.386 2.238 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCn1cccn1 1760313098 IZGJPVUTQZJRLN-GJZGRUSLSA-N 425.331 2.244 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NCC)CC1 1760353799 FTGWDXFZMDZIQW-UHFFFAOYSA-N 433.944 2.438 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc32)CC1 1760382352 OILSQCBWXYAXCX-GOSISDBHSA-N 444.605 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)C1 1760542314 LKYZWDAVZCHGAS-GOEBONIOSA-N 432.912 2.138 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1760696191 FWSXCQNLNMXLTJ-INIZCTEOSA-N 432.488 2.022 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1760848443 ALLGMFBDAMWOID-IBGZPJMESA-N 446.559 2.484 30 10 IEEE CC[C@H](C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)OC 1763436648 HBJBZLYLTJSLLD-YQQAZPJKSA-N 426.587 2.079 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)CC2)CC1 1849010668 PJVUUTLTWGRMLZ-UHFFFAOYSA-N 439.484 2.297 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCC[C@@H](n4cnc5ccccc5c4=O)C3)cnc2c1C#N 1852010466 OHRVGBRKSGVALQ-MRXNPFEDSA-N 427.468 2.405 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)n1 1852452255 TZDGDAQIVWAVPJ-RTWAWAEBSA-N 438.528 2.012 30 10 IEEE N#CC1CCN([C@H]2CCCCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1855598469 YHGCICXJHHGBHW-INIZCTEOSA-N 439.484 2.440 30 10 IEEE CCC[C@@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1=O 1855825303 IEPYLHYTAZJBDO-MSOLQXFVSA-N 437.493 2.445 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CC3(CC3)C2)C(=O)C12CCCC2 1856262405 WUUMHZHESMKINZ-UHFFFAOYSA-N 427.526 2.421 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1861807399 WIZCOOYWGAYCRN-MRXNPFEDSA-N 428.401 2.160 30 10 IEEE CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc(C#N)c1 1866637743 FLIDRHWAYXRJSE-SFHVURJKSA-N 428.514 2.264 30 10 IEEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCCCCO)c(C#N)c(C)c1C 1870185872 QNHBEOJLUMZKAD-UHFFFAOYSA-N 444.557 2.359 30 10 IEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873118375 JNMWRWYNIJGLNQ-UHFFFAOYSA-N 439.537 2.315 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(C(=O)NCc3cccs3)CC2)CC1 1892367156 PESVOEUDPGHDQA-UHFFFAOYSA-N 438.557 2.285 30 10 IEEE CC(C)(C#CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 2023916078 BGMDRWZTJCEYJG-CQSZACIVSA-N 441.525 2.167 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622762 DKLXJYOBCJSUPZ-GXTWGEPZSA-N 438.309 2.213 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060639430 HYAKLUAEIROCRI-OTVXOJSOSA-N 432.330 2.360 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cnc1C#N 2174715714 NXGFIVWOJDRWDK-UHFFFAOYSA-N 438.326 2.231 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cccc(C#N)n1 2195271517 KDEFZJNTUDCRHV-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@@H](O)C#Cc1ccccc1Br 2227468430 ADXJDGTWOZYUFG-JKSUJKDBSA-N 444.347 2.099 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229103073 SNWBIXDVFYDMPQ-JKSUJKDBSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 2247429731 XUYBODXEIPLGTH-INIZCTEOSA-N 442.557 2.309 30 10 IEEE C#CCN(CC(=O)N(C)C[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2249711682 HZKUJCDVEZLJLE-DEOSSOPVSA-N 429.561 2.342 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618166 GRNMNDYAMZBDFN-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE CN(CCOCCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255818288 JDKKENLPVUXSQV-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2257490654 FSPNGGYHYQIEPZ-HOCLYGCPSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C[C@@H]2[C@@H]1CO 2266064776 DOEHMQWVHOPBEF-SZMVWBNQSA-N 445.369 2.045 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267092242 MVROBFIFAURQSE-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE C[C@H]1C[C@H](N(C)C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267187018 RTPBAEALWCOLNY-HKUYNNGSSA-N 438.381 2.454 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267197718 NVMFIZIZGTUMJF-CABCVRRESA-N 448.373 2.203 30 10 IEEE Cc1cnc(C(=O)N(C)C[C@@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2267581113 NKWVMFFJHPDRNP-LJQANCHMSA-N 440.349 2.339 30 10 IEEE NC(=O)CSc1nnc(COc2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2329902944 TVYGPRORRZOTLZ-UHFFFAOYSA-N 425.470 2.088 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1)C(=O)OC(C)(C)C 2337203135 SYIQXVCKNPOOJB-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2337282756 HUBPSMSAPJOHRL-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H]2COC[C@@H]21 2345723876 FBKBSUYNHKHHKB-IRXDYDNUSA-N 449.332 2.344 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CC1 109976328 LBMDBAVPFSDXLV-UHFFFAOYSA-N 436.541 2.056 30 10 IEEE Cc1nc([C@@](C)(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C2CC2)no1 433300934 GDKHYMCMCJBGEJ-KNQAVFIVSA-N 426.496 2.141 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1F 447265976 JHXCFEWWUALCFW-INIZCTEOSA-N 444.528 2.355 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccccc1OC(F)(F)F 460614665 XGYAJPKQEOENDP-UHFFFAOYSA-N 444.373 2.601 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CC(=O)OC)c2cccc(F)c2)c1 476767542 QYCYZRVXWNWTEV-NRFANRHFSA-N 434.489 2.498 30 10 IEEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481026947 UBOTZWVILOEUAL-OAHLLOKOSA-N 448.495 2.311 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508493619 MFQMRWMZZDGPJL-UHFFFAOYSA-N 433.560 2.367 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1Cc1ccccc1 510136920 UIBDJFUVWCUNLJ-QZTJIDSGSA-N 437.456 2.029 30 10 IEEE O=C(CC1CCN(CC#CCN2CCC(CC(=O)N3CCCC3)CC2)CC1)N1CCCC1 530471193 KOXYLEFWWQZVEJ-UHFFFAOYSA-N 442.648 2.439 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 533227306 BJQOVANURYTXLK-ZWKOTPCHSA-N 430.574 2.448 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@H]3C2)n(Cc2ccc(F)cc2)c1C 544523890 LOXHGYMHGVTNLA-HXUWFJFHSA-N 425.508 2.119 30 10 IEEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 563485032 KQGFDDOMGRMVIX-UHFFFAOYSA-N 426.565 2.171 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CCS1(=O)=O 576721198 VIKDQCPIJINXED-GOSISDBHSA-N 429.546 2.399 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 580130725 IQGYIMIZSPHRNM-OALUTQOASA-N 431.562 2.009 30 10 IEEE COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)ccc1C#N 580545929 ZAZCKNGMFYWZRQ-UHFFFAOYSA-N 431.489 2.423 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCOC2)CC1 581382950 MEYKAGFYEMFHPG-QGZVFWFLSA-N 444.967 2.059 30 10 IEEE Cc1csc([C@@H](C#N)C(=O)CSc2nnc(CCc3c(C)nc(O)nc3O)o2)n1 585190969 BDCFYRNAKDLYHX-NSHDSACASA-N 432.487 2.098 30 10 IEEE N#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 602024801 WNDHXPMHYSPGMQ-KRWDZBQOSA-N 433.461 2.036 30 10 IEEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 603786835 QIBLODJRUNKTOC-UHFFFAOYSA-N 449.507 2.218 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(F)c1 609253885 OQPNBIRSRDUCSV-UHFFFAOYSA-N 438.431 2.192 30 10 IEEE CCN[C@@H](C#N)[C@H](C)n1cnc(I)c1I 699290851 MJJDWDUHKANASR-BQBZGAKWSA-N 430.031 2.155 30 10 IEEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CCN1C1CC1 732652159 PGOUIOOEEKIBSH-ROUUACIJSA-N 431.334 2.252 30 10 IEEE N#C[C@@H]1CN(CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CCN1C1CC1 732666063 FXTQHMDJWGEJLZ-HSZRJFAPSA-N 443.551 2.392 30 10 IEEE CO[C@H](C)[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757550877 OUIACJKXJNMMEI-IVZQSRNASA-N 436.464 2.133 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760400111 GHYUMCLBMSBHDY-CQSZACIVSA-N 430.523 2.156 30 10 IEEE C=CC[C@@]1(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 790568567 JVRPOAXUCIKATH-NRFANRHFSA-N 437.562 2.437 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2cccc(N3CCOCC3)n2)C1=O 790746468 IIRJNCTVABESOD-MRXNPFEDSA-N 445.570 2.248 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 794060115 LWIAMQXOSTXBOQ-MANSERQUSA-N 436.961 2.240 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 803522548 GJUPHOUTJQQYND-SFHVURJKSA-N 430.501 2.211 30 10 IEEE C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1 853721250 AFYULNROSUDZEE-ZIAGYGMSSA-N 449.916 2.299 30 10 IEEE COC(=O)c1cnn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1134404258 GKYGHDHGXRJSHT-IUCAKERBSA-N 435.271 2.299 30 10 IEEE CCCOc1ccnc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 1136287703 OJRDMENTORRQPC-MOHJPFBDSA-N 431.518 2.259 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)cc2NCC(F)(F)F)CC1 1136632615 DXJWFLRMZJFJDF-UHFFFAOYSA-N 430.858 2.212 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811439 MMIGLSHGIFPXJG-MRXNPFEDSA-N 438.488 2.170 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCc4ccc(C(N)=O)cc4)CC3)n[nH]2)cc1 1146297872 HWZHBBPCDVPYCI-UHFFFAOYSA-N 428.496 2.329 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 1149576082 ZENSHPCSXDHMJP-XMMPIXPASA-N 440.565 2.193 30 10 IEEE C#CCSCC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1151828806 USXVVBPHEQQWIN-UHFFFAOYSA-N 437.406 2.100 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2c(Cl)cccc2OC(F)F)c1 1184141605 WDIIOYCRCVQTKB-UHFFFAOYSA-N 429.832 2.408 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)C2 1235394587 NXMUQYRZTQYHEV-INIZCTEOSA-N 436.896 2.096 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)(F)F 1286301840 IVAWNYWOHZWJCD-CQSZACIVSA-N 436.438 2.243 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCOCC1 1286460025 SQNBTLIQZYHSSW-UHFFFAOYSA-N 436.459 2.174 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCOC[C@@H]2CCOC2)CC1 1286482479 SIEVJJBFJMYILX-FQEVSTJZSA-N 441.551 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286564352 XRLXBAWANPIEMB-APWZRJJASA-N 448.593 2.115 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1286605313 VLXCPDFADYBOQB-OAHLLOKOSA-N 435.326 2.368 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1286701353 YAAXQNNBLBHWFP-HXUWFJFHSA-N 445.589 2.181 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)N2CCOCC2)C1 1286808807 XZESFVBWLVOSGI-OAQYLSRUSA-N 439.560 2.208 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1286971313 HULZDTGVYWHWOW-ZMPRRUGASA-N 445.568 2.424 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)c2)c1 1290504329 CQURPPIELCPYCW-FQEVSTJZSA-N 428.510 2.385 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1293849212 ABIFGYQNLBWEFR-WAIKUNEKSA-N 437.548 2.071 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)n1 1297350514 QQYGMEFQOFGTTH-FQEVSTJZSA-N 441.532 2.022 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)NC)ccc2c1=O 1299802691 SGWPIGWBTCYBDB-IBGZPJMESA-N 434.521 2.184 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccs1 1300300504 ZULXMJDSCVRKSQ-CQSZACIVSA-N 429.575 2.395 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1C 1300527722 KGQDWTGDKQREFW-UHFFFAOYSA-N 433.541 2.063 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1300673014 DIGJKSXADOMKJD-UHFFFAOYSA-N 443.979 2.473 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(cccc2OC)C1 1300731234 DZBRVJVLOHTXRM-UHFFFAOYSA-N 425.558 2.452 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300755152 MOHGICOZYARDLZ-ZDUSSCGKSA-N 426.468 2.144 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300956299 XSRWARWJMKVQQJ-UHFFFAOYSA-N 444.530 2.468 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1301047462 ICHJLGKBEKLWSV-KRWDZBQOSA-N 439.969 2.046 30 10 IEEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1301119004 RPRGDVOLBOWZLP-UHFFFAOYSA-N 428.562 2.388 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1301589280 QAJQVJGSNBNAGP-BRWVUGGUSA-N 426.583 2.023 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)cc2C1=O 1302855669 UDPGZRLXDKQDFN-CQSZACIVSA-N 444.431 2.426 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1309490164 XXCGRFOSJLHSID-UHFFFAOYSA-N 434.514 2.224 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(N)=O)cc1 1316100836 AYHCOUJYBOESOY-SFHVURJKSA-N 427.509 2.425 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H]2CCOC2)C1 1340088738 JFSGVQXOJWPCES-SJORKVTESA-N 436.516 2.010 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C1CC1 1358885958 UYDYOYIYEGDXTJ-INIZCTEOSA-N 429.594 2.180 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C 1358912117 JIIZNNFSDZQCGI-UHFFFAOYSA-N 438.580 2.216 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCCCC2 1358940840 OEYJPAVLTMKWII-UHFFFAOYSA-N 443.353 2.482 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCOC1 1358989623 JWPWSVMIGVIWGL-XMMPIXPASA-N 438.528 2.357 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1oc2ccccc2c1OC 1359027130 XCTQEUFYSPMDFW-UHFFFAOYSA-N 437.500 2.290 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359048675 YTCWEZPRBHVAOL-QGZVFWFLSA-N 440.573 2.423 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1359240085 FQSUTUPEFQACLC-IBGZPJMESA-N 426.546 2.096 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1)C1CC1 1359251632 QUBDLNHNPNSIQA-SFHVURJKSA-N 443.573 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359331026 KSPCMVOZMSZHQO-QZTJIDSGSA-N 431.562 2.112 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(c3ccc(C#N)cc3)CCOCC1)C2=O 1438363650 HOOMURZXGITRBQ-IAGOWNOFSA-N 438.528 2.427 30 10 IEEE C=CCn1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nn1 1440420502 JKPYACQAQKSTEK-UHFFFAOYSA-N 441.469 2.288 30 10 IEEE Cc1ccc(C(=O)N[C@H](c2cccs2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1452426242 GGWJAWIRLTWWGY-GOSISDBHSA-N 433.555 2.492 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(=O)n1C1CC1 1459217150 HIUMIZGHVXNQDI-UHFFFAOYSA-N 449.492 2.478 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1465393059 YGEWSRZKTPKPCY-GOSISDBHSA-N 448.342 2.474 30 10 IEEE CCOc1ccccc1[C@H](CC(=O)NCCn1cnc(C#N)n1)NC(=O)OC(C)(C)C 1467838564 IQNKVZIZQSJQHK-INIZCTEOSA-N 428.493 2.321 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1469871605 FIKZRRMHTDFPTN-KRWDZBQOSA-N 442.324 2.335 30 10 IEEE C=CCOc1ccc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1470123311 MOIPDYLWLNMDPU-UHFFFAOYSA-N 437.493 2.258 30 10 IEEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1470662129 BYRUETYRWSDYRL-HZPDHXFCSA-N 428.352 2.237 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CCO1 1473683753 WUFGWGXAZJFPIS-FDDCHVKYSA-N 431.533 2.381 30 10 IEEE C#CCOc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1477623270 NQEIQJMSGHVUIM-UHFFFAOYSA-N 427.526 2.483 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCC(C)(C)O)n1 1492517843 HVXSHKNEUAZTFU-KRWDZBQOSA-N 447.547 2.186 30 10 IEEE Cc1nc(CCn2c(CC(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)n[nH]1 1492689833 FDEOMXLWYZRFBZ-UHFFFAOYSA-N 433.564 2.340 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1494105544 DTAWSCAIJKDMFE-HNNXBMFYSA-N 449.481 2.368 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCO[C@H](C)C2)CC1 1502310550 BLHXUEFNVZFCGI-WOJBJXKFSA-N 437.592 2.458 30 10 IEEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1504542416 AMUUTWFVKLEMCC-IBGZPJMESA-N 437.548 2.483 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCN2CCOCC2(C)C)c1 1507550450 LEDSZAZWEQKEJI-UHFFFAOYSA-N 436.560 2.323 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1507571895 QDSSLWSBEISEMM-INIZCTEOSA-N 427.509 2.012 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507627568 KHHNWFIBSUGKPZ-MRXNPFEDSA-N 437.953 2.045 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507635406 SFBJXWLIILVRDC-LJQANCHMSA-N 428.558 2.245 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)N1CCOCC1 1507644522 JQDSVYMUGJRTIK-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1507654160 WWUIKTNACIAQAV-GOSISDBHSA-N 440.504 2.004 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(Cl)c(OC)c1 1507657745 ZQWXCGWCELEVHV-UHFFFAOYSA-N 425.920 2.378 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507750835 GAKWIKXZWMFCKG-BRWVUGGUSA-N 440.635 2.186 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1507764010 IMEIOSJRWIQAQY-FXAWDEMLSA-N 437.610 2.477 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1508124394 FZSZRKCVXGINBB-FGZHOGPDSA-N 440.592 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508137245 LTCOWMNHCROVPS-JSGCOSHPSA-N 433.456 2.030 30 10 IEEE CCCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1514479372 COXUXQWMSZZDFZ-HXUWFJFHSA-N 437.552 2.222 30 10 IEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1516357875 HTKROOQGMNKHBY-IBGZPJMESA-N 431.500 2.374 30 10 IEEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(C)(C)C 1519875133 IAGKBFIWUKKIHN-QGZVFWFLSA-N 428.562 2.443 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCSCCCO)cc1 1521090063 OQUQNOQVJGPHSE-UHFFFAOYSA-N 428.562 2.024 30 10 IEEE Cn1nnc(Br)c1C(=O)Nc1ccc(C#N)cc1I 1535357696 OKRSEEPVANYCQI-UHFFFAOYSA-N 432.019 2.306 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1536694481 LCHVAJZSRZFUDQ-ZDUSSCGKSA-N 438.257 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)c1cccc(O)c1 1539026275 SWIYDCGCXMPBCW-KRWDZBQOSA-N 435.532 2.123 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539190553 MJDZLFKLNJMEHC-SJORKVTESA-N 430.553 2.115 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539215327 ACUXFFDOLCGSBB-MJGOQNOKSA-N 436.541 2.166 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCc2ccccc21 1539233044 ZDIJUDHTCZNLPM-LJQANCHMSA-N 439.523 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccnc(OC2CCOCC2)c1 1539257390 RZDSHLUHEZZULH-UHFFFAOYSA-N 430.512 2.358 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCS(=O)(=O)C1 1539391850 IXLVCNWUYYEDKP-IEBWSBKVSA-N 432.521 2.343 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1C 1539415745 GLYOFAVVOZTPJL-RBUKOAKNSA-N 446.573 2.042 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1539526128 JQIUYXMYFBOPKF-IPJJNNNSSA-N 444.605 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1539552695 ZQNVBMAIPZSXHH-LAUBAEHRSA-N 433.507 2.027 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1539668996 IJQMIFSQQUXLJN-GOSISDBHSA-N 435.550 2.132 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539998433 IMLGRVADTNCPFS-CEWLAPEOSA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC2(CCOCC2)C1 1540872350 LZMXTMOQQDBRQD-UHFFFAOYSA-N 425.533 2.187 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H]1CCOC1 1540907421 WFSXYROTQZHTFG-SFHVURJKSA-N 443.573 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1540909063 WKNOJRVGICDPDN-DNVCBOLYSA-N 448.536 2.013 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1541801944 HKCBUCYCIZIIJQ-JKSUJKDBSA-N 434.548 2.413 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)cc1C 1542482965 HQRMQXWFJVMKAA-IBGZPJMESA-N 440.504 2.045 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1547746120 IFSMRBOKYBLTQI-LJQANCHMSA-N 449.559 2.432 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1548275470 BIHMDWAFEQNENB-UHFFFAOYSA-N 436.520 2.273 30 10 IEEE CN(c1nnc(C2CCCC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1552949100 OUMBYPIUEWZXMS-UHFFFAOYSA-N 432.550 2.309 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 1554593572 DDEAHQCWTCLHDQ-HRAATJIYSA-N 446.577 2.360 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)(C)C 1554666702 FUNQLSMKLRIFQB-VQIMIIECSA-N 440.548 2.457 30 10 IEEE COC[C@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555275634 CVINUWKSWHXJHJ-JOCHJYFZSA-N 449.534 2.442 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)cc1OC 1555673202 ZFVGTSITGDFNFI-WMLDXEAASA-N 435.912 2.441 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCO)CCN1C1CC1 1555992691 ZQNGSJBWGJVOBS-INIZCTEOSA-N 448.369 2.375 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)CCC1 1559807051 QKSXPICYINOOKC-FQEVSTJZSA-N 435.590 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2Cc2cc(C#N)ccc2Br)C1 1560117531 BORUJQGZYLQFHF-UHFFFAOYSA-N 435.322 2.242 30 10 IEEE COC(=O)c1ccc(C)c2c1CCCN2CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1560221832 JLZJBKFWWXNCEN-UHFFFAOYSA-N 437.500 2.051 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1587759040 MXLRPEZWMZIVRB-OAQYLSRUSA-N 442.608 2.458 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCC[C@@H]1CO 1587926788 IDGNHWVRTLJKJP-MRXNPFEDSA-N 435.370 2.342 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1587998938 MRWCABUBDFUYNQ-UHFFFAOYSA-N 429.572 2.151 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1588006367 KAZHPKPCVUDPPO-UHFFFAOYSA-N 431.544 2.380 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1588149536 WIZRRVFHFRVKQV-HSZRJFAPSA-N 446.599 2.193 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)OC 1588159460 XDHQHIFTZBWWOJ-UHFFFAOYSA-N 434.588 2.141 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2c(C)nn(C)c2C)CC1 1588871970 UAQGPYVODYPQER-UHFFFAOYSA-N 437.523 2.150 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1589427194 CYEXYQJNJQDGSY-AWEZNQCLSA-N 434.338 2.453 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1589513650 AWTJACOBLMVODO-QFBILLFUSA-N 431.562 2.335 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1593650292 VBOOIIBYRBYYKP-HXUWFJFHSA-N 437.592 2.363 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1594626710 OEYJEBCNOKJKPK-IBGZPJMESA-N 449.577 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(OC)C1 1595529838 JLXDPVUWLIQBHR-QHCPKHFHSA-N 435.532 2.438 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1595608822 YJQVFRRCXUASFH-SFHVURJKSA-N 439.516 2.127 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1597813301 UFUXPKJZUJFELM-MPGHIAIKSA-N 437.587 2.344 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1611780033 FLURFDUEYXTJCY-XJKSGUPXSA-N 432.887 2.381 30 10 IEEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)n1 1612221663 CFDLLPCKXRWVKF-UHFFFAOYSA-N 445.527 2.343 30 10 IEEE CC[C@H](C)c1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613248613 YQVVUULNHYKKPU-YGCDDZCOSA-N 429.569 2.285 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnn(C)c1 1616472801 BYLRATWXYDJJKO-NRFANRHFSA-N 425.468 2.480 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1619572262 XCWDFDRFPGYXJT-GOSISDBHSA-N 425.537 2.395 30 10 IEEE CN(CCC#N)C(=O)CCN1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1620354220 ZDTLVSHTOLUTLO-IRXDYDNUSA-N 428.430 2.424 30 10 IEEE C=CCN([C@H](C)COC)S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1622345463 SZZQWRNTUATXNU-QGZVFWFLSA-N 430.592 2.381 30 10 IEEE O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)N[C@@H]1CCN(O)C1=O 1624906474 KXEJDBSPICYNQW-QGZVFWFLSA-N 439.497 2.045 30 10 IEEE Cc1c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cnn1C1CCOCC1 1628414299 VNVPMNHKLAACIF-UHFFFAOYSA-N 431.518 2.000 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 1629998151 RANMQMDGJLJORE-SFHVURJKSA-N 425.510 2.370 30 10 IEEE C#CC[C@@]1(C(=O)NCc2ccc(OCCO)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1630546269 GEPBEWRDICBTHK-QHCPKHFHSA-N 432.517 2.476 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)c1 1630761791 CIYXMPMWKRHXNF-UHFFFAOYSA-N 438.431 2.178 30 10 IEEE C=C[C@@H](C)ONC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1636606764 MBFVXSNITVSPDK-GFCCVEGCSA-N 429.258 2.265 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1638512556 GLVDKLPREKYPOA-CRAIPNDOSA-N 435.546 2.379 30 10 IEEE O=C1C=COC2(CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)C1 1656298443 KQYOTVPYXLRMAS-UHFFFAOYSA-N 447.557 2.137 30 10 IEEE C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCN(C(=O)CC#N)CC1 1658692868 HMGYZIXNZCODII-ZDUSSCGKSA-N 428.474 2.103 30 10 IEEE CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1660335535 FRQYKAYTKPTBKM-QWRGUYRKSA-N 439.328 2.094 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCc3ccc(C#N)c(Cl)c3)CC2=O)C1 1680522415 RQIVHHQSDPLECC-HNNXBMFYSA-N 447.923 2.231 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2NC(=O)CC2(C)C)c1 1689870244 HLXNSALSWNGLLV-LJQANCHMSA-N 445.527 2.244 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1689985796 BRNKLABUDSJNEC-KRWDZBQOSA-N 443.479 2.293 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@](C)(O)CCOC)CC1 1690113409 IWXVAKQSSMJCNN-XMMPIXPASA-N 437.588 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)CC1 1690250978 NTIRZQMLQBEHSX-NQIIRXRSSA-N 446.621 2.383 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1695499601 JTZFFOFMYDXTOG-UHFFFAOYSA-N 426.521 2.130 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1697748073 FSFCJAWPMLRZBA-AEFFLSMTSA-N 426.521 2.103 30 10 IEEE COCCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697967761 NVPBBWHPLCWAGI-IBGZPJMESA-N 425.537 2.192 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1698062712 GGSDMIXLGKUERH-GHTZIAJQSA-N 446.577 2.338 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705523098 RYJKPWARCLZLGG-HXUWFJFHSA-N 439.564 2.313 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCCC1 1705591056 DRZQDSGSIGOFOM-UHFFFAOYSA-N 439.585 2.297 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1([S@@](C)=O)CC1 1705629976 BKMGKBVFUUWISS-SSEXGKCCSA-N 425.558 2.347 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOc2ccc(C)cc2)CC1 1705638682 TWOOWRKAKMTYAU-NRFANRHFSA-N 436.560 2.152 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(NC(C)=O)nc2)CC1 1705644199 IPIDILHHXCJYML-INIZCTEOSA-N 437.548 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(N)=O)C1 1705698552 VZTWGTMHNFVPHG-IOASZLSFSA-N 449.353 2.329 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705826135 PBLZEJBKUSVFTK-GOSISDBHSA-N 442.520 2.206 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1705941879 ZLHBSCPEOOARGB-HNNXBMFYSA-N 429.546 2.302 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1706213147 FKMQTXMNQSMHPP-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(SC)CCOCC1 1712639377 DWJPHJMDDOGVQH-TXPKVOOTSA-N 439.557 2.356 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CC=CCO2)cc1 1712880367 GVBBKXJCQMAGSW-QUCCMNQESA-N 436.516 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)[C@H](C)CCC 1722278483 DOCCQERIEVRYAD-SJORKVTESA-N 445.589 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1722280582 XNEAPRPLRJGVMD-INIZCTEOSA-N 444.499 2.444 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(CO)c1 1722296351 PCJZHUWZEKZEOI-GOSISDBHSA-N 431.544 2.451 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CSCCS1 1722426048 WBXHPPFHQJJAFJ-SFHVURJKSA-N 442.614 2.451 30 10 IEEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1722451475 CZMAZLCKTCCOFO-UHFFFAOYSA-N 426.590 2.330 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722462549 WCYBHGNPCQACQF-UHFFFAOYSA-N 446.665 2.414 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1722465228 GMTWIWZAGJYFBJ-SFHVURJKSA-N 427.574 2.494 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722559913 LWIZUOPVGAFGHE-WBVHZDCISA-N 438.623 2.409 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCC(C)(C#N)CC1 1729221962 YCZOJJDRKFADCF-UHFFFAOYSA-N 448.568 2.467 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ncccc1N(C)C 1730941953 JKERJXQLZLLZAS-PXNSSMCTSA-N 425.537 2.251 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1740582533 OOEXKRLDHSOPLE-FQEVSTJZSA-N 430.509 2.051 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(COC(C)(C)C)on1 1740632851 PXFROFKJFGFPTK-HSZRJFAPSA-N 441.532 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1cccs1 1740646012 OFCJWZXWEQZKKY-DLBZAZTESA-N 433.603 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N(CC)CC)CC1 1740693016 SGPSXZKYZGYTDK-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCn2ccnc2C)CC1 1740699138 VWODPVRTXAUAAA-UHFFFAOYSA-N 447.587 2.422 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740719199 BKDXBRHDZBPXCD-IBGZPJMESA-N 425.558 2.461 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(=O)C(C)C)CC1 1740820392 BEULTSHNYSRUSE-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1 1740880390 GSXRVKMIPNFYFG-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740996329 LWQTXHOSZJGVHT-FRRDWIJNSA-N 441.545 2.442 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1741135756 BPGLWCHMDNIXJX-LMGVVVSRSA-N 445.568 2.123 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1743406136 JCGNDTDUCOJCFU-UXHICEINSA-N 438.532 2.117 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)OC 1743539507 ABLPHBGFACRJGT-QFBILLFUSA-N 447.561 2.025 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746285658 YIBWFVOJIDMUBM-JLUOLNIDSA-N 428.537 2.467 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1748672717 XECLJLXQCMKVAL-RDJZCZTQSA-N 430.509 2.389 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H](C)N2CCOCC2)c1 1748694770 NNDZUWRRRXUSRE-LJQANCHMSA-N 438.576 2.254 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCc1cnccn1 1748744646 DSAORNDZCVIFSR-UHFFFAOYSA-N 438.561 2.121 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1748745442 RGYANMIBFXPJOS-XMMPIXPASA-N 447.543 2.051 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1748815506 QYIIFYFPDNSGFR-IRXDYDNUSA-N 449.602 2.154 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N(C)C 1748864254 ULZWEVIDDPZLJH-KRWDZBQOSA-N 426.952 2.275 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCCC1=O 1748875216 NQWLYJLGUMHZMU-UHFFFAOYSA-N 447.543 2.181 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1748999810 GPCUBODMEIEFGE-LJQANCHMSA-N 446.596 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)N(C)C)CC1 1749011080 TXIMVUXKLZFHQF-HXUWFJFHSA-N 447.543 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCOC1 1749740226 SHGBIOAGHJBZHM-SFHVURJKSA-N 434.562 2.300 30 10 IEEE COCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1750100847 LHEXCTBJCGOTBJ-MRXNPFEDSA-N 436.310 2.099 30 10 IEEE N#Cc1c(F)cccc1N1CCN(c2nnc(-c3cnccn3)n2CCCCCO)CC1 1750379703 WXQOXSRQJHBQNW-UHFFFAOYSA-N 436.495 2.235 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1750389910 AOBDCIKGOIMQDX-UHFFFAOYSA-N 433.516 2.196 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1750980151 FAAOMNORRYYUDV-UHFFFAOYSA-N 437.548 2.213 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCSC1 1751252194 HJQWWUOYVRSWSR-JNAXZKDPSA-N 433.509 2.154 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCCOC 1760115074 YMPDERDLDWDVBC-IEBWSBKVSA-N 425.533 2.459 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1760183877 UUPKBMGOJYBHRT-VXGBXAGGSA-N 439.326 2.406 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC(C)CC1 1760219729 LUZPFQLGOKIIMB-OAQYLSRUSA-N 445.633 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCc2ccn(C)n2)CC1 1760268088 LEWFDHAAYOPWMY-UHFFFAOYSA-N 431.544 2.196 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@@H]2CCCCO2)CC1 1760270020 RWBLECIVUBYHNW-RTWAWAEBSA-N 443.592 2.487 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760359607 SNVLNDSCDHEJBT-VXKWHMMOSA-N 440.592 2.404 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760445913 ZHCGOCHAPUZYMI-LJQANCHMSA-N 444.580 2.036 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 1760557506 NONQAEJYPOGKRR-IEBWSBKVSA-N 427.530 2.318 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1762239304 DPFCUQUFJNDWTM-PKTZIBPZSA-N 440.523 2.472 30 10 IEEE CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1764978149 HXUSQOIEWFYIKC-UHFFFAOYSA-N 427.553 2.079 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2c(CC)nn(C)c2CC)CCOC1 1765878905 BDNZNIVOEBDJLK-FCHUYYIVSA-N 445.543 2.279 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2C)CCO1 1767725965 ASRYZTLELUWJHI-KPFFTGBYSA-N 438.532 2.116 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCSCC 1767931598 VVFFMTNWRQTQKI-UHFFFAOYSA-N 432.598 2.198 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1768762267 GMAJYARMZNHWMT-YGCDDZCOSA-N 434.504 2.054 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1O 1771488201 PJNAUQXRHBZQQU-APWZRJJASA-N 431.562 2.239 30 10 IEEE C[C@H]1CC(=NC(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)NN1c1ccc(Cl)cn1 1851876233 ZSKONMYXYDQAPV-AWEZNQCLSA-N 447.948 2.312 30 10 IEEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 1851992548 GBBSRISQCXFFRZ-GOSISDBHSA-N 443.511 2.211 30 10 IEEE C=CCN1CCN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)CC1 1852653176 GBHBPRRJTWRSGB-UHFFFAOYSA-N 434.949 2.261 30 10 IEEE CN(C)c1ccnc(N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc2F)c1C#N 1853241839 SBHGTESTHBHLNC-GOSISDBHSA-N 431.493 2.247 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC4(CC4)C3)C(=O)C23CCCC3)cc1 1856294748 FXEYRPCWFMJCFK-UHFFFAOYSA-N 427.526 2.421 30 10 IEEE N#CC1CCN([C@@H]2CCN(C(=O)C3CN(c4nc5c(F)cccc5s4)C3)C2=O)CC1 1857306503 URBYIYGNSVBBEU-MRXNPFEDSA-N 427.505 2.235 30 10 IEEE C=CCN(CC=C)C(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1862264302 ZUCZLNNCTOFLCY-UHFFFAOYSA-N 439.965 2.445 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862707402 VITIUTCVIDJKGA-BFUOFWGJSA-N 425.437 2.441 30 10 IEEE COc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 1870156406 LKLDREFZHCPFAU-UHFFFAOYSA-N 438.831 2.165 30 10 IEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc3c2cnn3C(C)=O)cc1 1870158475 YOWSARIUMNWSQX-UHFFFAOYSA-N 428.412 2.359 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874335875 AEEYXSVMMUXCPI-IEEVUCOHSA-N 446.489 2.058 30 10 IEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875229421 YMXQIAXCTNWIEG-GOSISDBHSA-N 434.544 2.368 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cc3noc4ccccc34)CC2)CC1 1889561204 PFKWZEGUSYCOIU-UHFFFAOYSA-N 438.572 2.407 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3noc4ccc(C)cc34)CC2)CC1 1889561288 SIXALCFFVKHOGD-UHFFFAOYSA-N 438.572 2.327 30 10 IEEE CN(CC#CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Cc1ccccc1 1890742537 RCUQIVSOGUHLGG-UHFFFAOYSA-N 445.610 2.400 30 10 IEEE COC(=O)[C@@H](CC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2010406097 PXNGFVIXQIEVIM-JXQTWKCFSA-N 426.319 2.184 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2023133574 SWNLDTGIBPHAJE-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060636241 VVDAFJBEABADDC-KCYAQADSSA-N 436.358 2.155 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060636500 YPOPGECFZXYFQE-KRWDZBQOSA-N 434.342 2.142 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(F)F 2065179264 FAWBIUCLQXFSJF-LBPRGKRZSA-N 442.272 2.263 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224093943 PPYGVORYVGSCOD-RDJZCZTQSA-N 433.358 2.411 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255820364 OXXCKXNPTYHVJI-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255827204 WAFBXDBPBBYHPW-OAQYLSRUSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256670658 HMIUKWLSBRBVAC-INIZCTEOSA-N 438.305 2.339 30 10 IEEE Cn1ncc(C(=O)N(CCCC(=O)O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2256924245 MCWQINDNGFHXDL-UHFFFAOYSA-N 427.310 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267091123 PEEUVVKLSKGWTR-GASCZTMLSA-N 446.357 2.038 30 10 IEEE Cc1cc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267120738 OKVBPADKEJQKBG-WCQYABFASA-N 444.259 2.416 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267279195 IEBVMAXDGPGXQF-OSYLJGHBSA-N 445.369 2.167 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](C)CN1Cc1ccccc1 2267487210 BTLBZKCXTAKZNH-QZTJIDSGSA-N 438.381 2.454 30 10 IEEE Cc1c(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267507506 PJSOTHMQEDKZSM-HOYKHHGWSA-N 436.365 2.032 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CCC2)C1 2267518690 GLCOQPWCUYHRIR-CQSZACIVSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2267547714 APMOQIRZBHEEKJ-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267873382 OYKZBTHUSMNGJH-RBUKOAKNSA-N 434.349 2.122 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873442 YNPZIOAZUSEDFN-MJGOQNOKSA-N 436.365 2.274 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2271951055 DHNZXIRHNIXEHZ-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE C=C1CC(CO)(NS(=O)(=O)c2c(N)cc(Br)cc2Br)C1 2280077098 ZFKXTHNGEMRPNE-UHFFFAOYSA-N 426.130 2.153 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)cc1F 2296624488 MVQYKWSTWXZAFC-LJQANCHMSA-N 430.432 2.181 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343638592 FYRARPGEVXGGJZ-IAGOWNOFSA-N 449.332 2.410 30 10 IEEE N#C/C=c1\s/c(=C\c2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)c1ccc(Cl)cc1 9440219 IWYAKIJPSRKIIK-MUPYVFBKSA-N 425.853 2.487 30 10 IEEE COc1ccccc1[C@H]1/C(=C(/O)c2ccco2)C(=O)C(=O)N1CCCN1CCOCC1 103091847 DTFNFPKFMPJLJM-LCPUNJGISA-N 426.469 2.432 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2nnc3ccccn23)C(C)C)ccc1F 116625285 UXZPUYRGXGCWBM-GOSISDBHSA-N 431.493 2.460 30 10 IEEE N/C(=N/O)[C@@H](NC(=O)c1cc(Br)ccc1I)C1CC1 236324370 MNIKVATYTQOWGN-JTQLQIEISA-N 438.063 2.309 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)[C@@H]1CCCO1 254491815 ZQQMDVTXFHNMRT-MELADBBJSA-N 445.360 2.230 30 10 IEEE O=C(Cc1cccs1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254701023 OYWBCXJSNRFLAO-BBRMVZONSA-N 436.536 2.321 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 433552383 CSKVQOYTYUSQAI-AVRDEDQJSA-N 447.491 2.485 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C(=O)OC 435952396 ZEZOKWLRQJAVBN-IAGOWNOFSA-N 431.316 2.227 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCSC[C@@H]1CCO 442079746 HCXWLPJHSNPFKR-INIZCTEOSA-N 426.498 2.319 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)c1 465187296 UJGGESUETLTTHC-MSOLQXFVSA-N 435.532 2.246 30 10 IEEE CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480539110 SXCVAVHZPLJFSM-UHFFFAOYSA-N 427.592 2.018 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C#N)cs2)c1=O 481976463 YWVPIFMFJAPDSD-UHFFFAOYSA-N 448.573 2.416 30 10 IEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@]2(CCOC2)C1 508940019 WCEPYZXTDJKUEC-HSZRJFAPSA-N 436.516 2.418 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2C1=O 524556583 VAHQNQLTWIIJNU-UHFFFAOYSA-N 433.508 2.355 30 10 IEEE COC(=O)c1sc(NC(=O)C[S@@](=O)Cc2ccc(C#N)cc2)c(C(=O)OC)c1C 526889541 QAIQCOLXJGGVJP-LJAQVGFWSA-N 434.495 2.389 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCc1cccnc1 530893872 DOHMOGRTTIXRLI-UHFFFAOYSA-N 446.557 2.353 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 549303048 YREQWLJWUAAVHJ-FQEVSTJZSA-N 445.527 2.351 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCO2)CC1 549650759 KNGORNPHOBCLIX-GOSISDBHSA-N 442.539 2.078 30 10 IEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 549670208 YEEBXIOASJPFQN-XMMPIXPASA-N 447.543 2.358 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCOC2)c1 549704520 OYJVZZMVRZBUPE-LJQANCHMSA-N 440.511 2.447 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cccc(Br)c1C#N 553533352 KGICZRMTUPDXQZ-LBPRGKRZSA-N 447.314 2.398 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2OC)CC1 555257906 AWHANWMYURMOQO-MRXNPFEDSA-N 449.552 2.231 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(F)c1 609256150 WLANCQURAAZORE-UHFFFAOYSA-N 435.503 2.484 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NCc2ccc(C#N)cc2F)CC1 729877708 BZXRQBJKNUEOMP-UHFFFAOYSA-N 433.484 2.014 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccccc1NC(=O)Cn1cnnn1 735347907 PKXMXQLLKWJGQE-UHFFFAOYSA-N 426.820 2.225 30 10 IEEE CCN1CCC(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742098611 UTBBCQZDWAIUSS-LJQANCHMSA-N 434.606 2.378 30 10 IEEE CCO[C@H](C)c1noc(CN2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)n1 743378248 VIKZQLONOQOYPP-MRXNPFEDSA-N 436.520 2.381 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 764051786 HESIWKVSZIBHLK-PKOBYXMFSA-N 449.529 2.443 30 10 IEEE Cc1ccccc1C(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 771192174 CLPGEVUQUBOLAS-CLCOLTQESA-N 428.514 2.176 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCCOc2ccccc2C#N)C1=O 771440170 ORIHMARDTPGOMO-HSZRJFAPSA-N 437.452 2.265 30 10 IEEE COC(=O)N1CCC[C@@H]([C@@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 773059624 AGKGFQQPSMZHMD-DGCLKSJQSA-N 430.324 2.466 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 780922479 SAVUQIVUKICSMK-SFHVURJKSA-N 428.286 2.339 30 10 IEEE CCc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCC1CS(=O)(=O)C1 786682227 DZRNLVCSHLIAOB-GOSISDBHSA-N 449.598 2.284 30 10 IEEE C[C@H](NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1Cl 787052828 NSQUXSYVMOHSSB-GWCFXTLKSA-N 447.282 2.023 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 787063439 ZMIPHGHRXHOPIX-PZJWPPBQSA-N 448.479 2.401 30 10 IEEE CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cnn(C)n2)[n+]2cccc(CO)c2)C=C1 789393282 NJYNURYHZWMOCW-UHFFFAOYSA-O 440.505 2.179 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 792746982 KHJCMZDXVZEIGX-IEBWSBKVSA-N 425.558 2.360 30 10 IEEE CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 801985841 KTIGCVOUMLDMEY-UHFFFAOYSA-N 446.515 2.318 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 806271030 MBFKMKBNYCXJAN-IBGZPJMESA-N 444.532 2.049 30 10 IEEE CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 814572506 GPYSZDVKOXYOCE-UHFFFAOYSA-N 434.496 2.202 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(N(C)C)cc2)n1N 1083891764 PBJFFRHBNRAGKM-UHFFFAOYSA-N 440.533 2.243 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(C)cc3C)n[nH]2)cn1 1084056450 KNLDDVPQQPEVKI-UHFFFAOYSA-N 428.522 2.441 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1134899309 LISPQWQKBGLDOT-GJZGRUSLSA-N 446.529 2.431 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)c1 1136243978 QSVBLMRMBHVSOI-HXUWFJFHSA-N 439.581 2.424 30 10 IEEE CCN(C)C(=O)[C@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1136563069 OWODSUXEWBARDM-FMPZLKCCSA-N 436.578 2.153 30 10 IEEE C#CCN(C(=O)CCC(=O)N1CCC(O)CC1)[C@H]1CCOc2ccc(Br)cc21 1136805003 QPLSVEMOVFDTET-SFHVURJKSA-N 449.345 2.498 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1137588016 OYQUMFQMGUCDOT-RDGPPVDQSA-N 435.565 2.332 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)ccc1F 1143289095 CHMOSUCFUMURNC-FQEVSTJZSA-N 441.488 2.196 30 10 IEEE CCOP(=O)(CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC 1143303838 YYQFWAMEKCUXKM-UHFFFAOYSA-N 431.451 2.187 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1159641160 FKCVLVVNAKNAPT-GJZGRUSLSA-N 442.285 2.079 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C[C@@H](O)c1cccc(C#N)c1 1171841376 OCWYHVKZIZOCOK-BBWFWOEESA-N 441.450 2.445 30 10 IEEE CCOc1ccc(NC(=O)Cn2cc(C)cc(C#N)c2=O)cc1S(=O)(=O)N(CC)CC 1189537345 CAKWJOURVSDRPT-UHFFFAOYSA-N 446.529 2.096 30 10 IEEE C#C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccc(Br)cc1 1275464977 RAMZLYLKGXSBPW-AEFFLSMTSA-N 425.286 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1286296277 NXIPOBISBUSBPK-IAGOWNOFSA-N 433.553 2.350 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1286304232 FZFZQBWVFAGUEQ-INIZCTEOSA-N 432.546 2.148 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1286336082 OUVLOGITFVUPPC-QZTJIDSGSA-N 437.610 2.082 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393677 RMWSCOJTUSHUAM-MISYRCLQSA-N 434.606 2.453 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1286449897 AGVYDENVZXVGFS-AZUAARDMSA-N 444.605 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN(C)CC(F)(F)F)CC1 1286490634 NVALMKZOLJZHBX-UHFFFAOYSA-N 426.487 2.006 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1286580615 AUIFSXUIYZLQIF-MRXNPFEDSA-N 439.607 2.432 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1286746703 COGAHKMPEJIIBY-UHFFFAOYSA-N 435.517 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1286819412 JTBXSLGJNJQFBN-QRQLOZEOSA-N 443.573 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCSCC1 1286823360 VETHMODTIKSBST-UHFFFAOYSA-N 436.603 2.226 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1288976427 ADGPOHUAHNHIEM-UTKZUKDTSA-N 429.546 2.259 30 10 IEEE CCc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1292883328 IEGDKVTZEWDYKH-UNEBPCJRSA-N 440.504 2.146 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1296263555 CXAFSKYECHOIOU-GOSISDBHSA-N 441.488 2.031 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)CC(F)(F)F 1298696859 BVKCIVSJLDXMHF-FQEVSTJZSA-N 447.465 2.170 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC[C@H]2C)CC1 1300723314 RTUAHHUGSSYATR-RLLQIKCJSA-N 429.565 2.158 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1300731694 GSSVFOMQTDPAKR-HSZRJFAPSA-N 439.585 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccccc1)OC 1300780525 RYKHAQFGGYEVJX-LRXVAGHRSA-N 445.589 2.138 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300824335 RYVWIOVOINFTGP-AWEZNQCLSA-N 441.374 2.066 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300870212 RHXGTKQJJIUCOB-ANNOJEBVSA-N 444.624 2.385 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061342 SLZKBISDUFOARZ-FQEVSTJZSA-N 433.944 2.188 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1301084177 SRLUARUOWWZCBT-GOSISDBHSA-N 444.511 2.018 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1301257508 AJRWKHLKUCJXSV-MSOLQXFVSA-N 426.583 2.026 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1cccn1 1301270998 NSSUIQLIKIHTTE-UHFFFAOYSA-N 428.566 2.456 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(N2CCOCC2)CC1 1301415357 ROJPMAUQQOLALN-UHFFFAOYSA-N 432.956 2.497 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(F)ccc2C1 1301520967 VSKGYMPSRKGBRQ-PXNSSMCTSA-N 429.496 2.006 30 10 IEEE COCCN(C)c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1301694733 RTJJLINEBDKHNV-ZPHPHTNESA-N 430.896 2.208 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCSCCCO)c1 1302988207 XCXMOVLMTFSKMJ-DLBZAZTESA-N 429.502 2.046 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)c2nccs2)CCOC1 1303503507 CMCXDHUCRPPPLR-RZQQEMMASA-N 432.550 2.308 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(Cl)c1 1303886658 DWWRCJMSXVSHSQ-UIAACRFSSA-N 432.887 2.232 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCc1ccco1 1305521413 IOUQAEDDRWTHMC-KRWDZBQOSA-N 448.531 2.294 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CCO2)cc1 1308114959 RWZVUAQXSCSEGR-SFTDATJTSA-N 435.553 2.402 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@]23COCCN2C(=O)OC3)cc1OC 1308494692 MPFDFJKXNWYAPQ-GOSISDBHSA-N 427.295 2.333 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COC(C)(C)CC)c2C)CC1 1310217392 WXDBLDRDZFTESS-UHFFFAOYSA-N 436.578 2.317 30 10 IEEE C#C[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(Br)cc1 1311888707 PYMJIKJVKCEOQK-MRXNPFEDSA-N 428.352 2.142 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1315608443 GWEMTVOIEBUSJL-UYAOXDASSA-N 440.548 2.039 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1315962042 CEYVLKOMGOIKCG-VIZSFHNOSA-N 425.533 2.467 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)CC1 1317872399 XYNXXNXBAIRTDH-UHFFFAOYSA-N 446.433 2.234 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1320907621 ABDNOVVAYGXQNS-HOTGVXAUSA-N 434.514 2.088 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccc(F)cc3)CC2)c1C#N 1320985204 ZFGOTOIDDHXEEC-WOJBJXKFSA-N 425.512 2.016 30 10 IEEE C=CC[C@@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1321048726 MXUPAPSMMSRBHI-IUODEOHRSA-N 432.336 2.483 30 10 IEEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)CC1 1353562961 DAGWTERVOYQMMO-UHFFFAOYSA-N 447.435 2.281 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1358911408 SZUYKRUHSFRRQQ-IEBWSBKVSA-N 428.581 2.410 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1358924623 CERGGXPUUFAHNF-UHFFFAOYSA-N 426.521 2.227 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1358999374 PABZGIRHHIGHKK-QGZVFWFLSA-N 429.546 2.041 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(F)c(Cl)c1 1359023554 NSDOYOUZMUGUKC-QGZVFWFLSA-N 435.887 2.187 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1359070489 NSRZEDLLDCVEST-MGPUTAFESA-N 433.603 2.434 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)c1ccccc1 1359194785 BPDJMBVMHJKAAV-MOPGFXCFSA-N 448.614 2.109 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCN(C)C2)C1 1359323952 AEGVQUXFDCXWNR-NFBKMPQASA-N 427.549 2.013 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1359396787 LMTZQVXHMGRVDY-UHFFFAOYSA-N 434.447 2.027 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)s1 1455428780 NUWSUWVTFDSOSQ-HNNXBMFYSA-N 428.963 2.128 30 10 IEEE COc1nscc1CN(C)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1456357635 IKZZVGGYOQZLOY-OAHLLOKOSA-N 436.559 2.264 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)CC1 1460902665 BSUCVFKBNSLPPO-SFYKDHMMSA-N 433.597 2.058 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cnn(C(C)C)c2I)CC1 1464750102 NEVRPVZHMXXZMO-AWEZNQCLSA-N 429.306 2.375 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccnc(-c4ccccn4)n3)C2=O)cc1 1470035179 ZFOXFVWAAOSHGF-HXUWFJFHSA-N 427.468 2.011 30 10 IEEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)N1CC[C@H](N(C)C)C1 1475478420 HYSRQODWUHITHA-RDJZCZTQSA-N 426.970 2.067 30 10 IEEE C#CCOc1ccc(NC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1476150434 IBZLHRSZWUKBCY-UHFFFAOYSA-N 432.458 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCOCC1 1507672727 FMPGFWVFRCSIPF-UHFFFAOYSA-N 430.556 2.466 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCCS(C)(=O)=O 1507705090 OKIUVVSBRLMFDK-UHFFFAOYSA-N 428.917 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](SC)C(C)(C)C)CC1 1507737840 GGRNGTCZPCFGKF-GOSISDBHSA-N 443.621 2.422 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508080397 NQFXTDQYPTXAOM-FQEVSTJZSA-N 429.484 2.092 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1508139397 GGGWMFIIBIZFRP-MOPGFXCFSA-N 449.540 2.079 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1510105725 BZYNIEXZXGNLEQ-HZPDHXFCSA-N 429.525 2.173 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCOC[C@H]1OC 1513371660 FUCRVJANJNZCAL-RADWXHQJSA-N 432.569 2.378 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cccc(C)c1 1519278250 PWLGHFNLBSFNLG-VGSWGCGISA-N 444.511 2.183 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)nn1 1524670270 OPCPSOAADKZFJU-UHFFFAOYSA-N 439.520 2.285 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1532461823 IQNJKQRZMPPVDF-UHFFFAOYSA-N 448.342 2.396 30 10 IEEE C#CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 1538022390 SEDGVXMSBGXOOD-UHFFFAOYSA-N 443.363 2.344 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCSCC1 1539200173 AQZBUHAWXOEFBM-CALCHBBNSA-N 434.610 2.167 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539210417 DXEVMLGCTJZUBI-IAGOWNOFSA-N 432.521 2.138 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539217034 ZUZZIYIDJXDXOL-GOSISDBHSA-N 439.541 2.151 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1539506140 IAAXLXBGABFRAL-SFHVURJKSA-N 441.557 2.188 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1nncn1C 1539579182 IPNRKQMBFUIVAR-KBPBESRZSA-N 440.346 2.381 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC 1540139239 AVZVXIBLSAGALM-UHFFFAOYSA-N 437.591 2.203 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1541136895 DBKKMLPEOHJIHA-OALUTQOASA-N 449.559 2.226 30 10 IEEE Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120721 DAHGOEVOSRSBQA-UHFFFAOYSA-N 432.433 2.061 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2 1544220525 FBLTYINLZRGAKG-RDJZCZTQSA-N 438.322 2.030 30 10 IEEE CC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1545637827 BQOJGMMVWBMRQL-GOSISDBHSA-N 440.548 2.460 30 10 IEEE CCOC(=O)C[C@H](NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(F)(F)F 1557387404 HEDVUGDVCHOLME-LURJTMIESA-N 441.275 2.446 30 10 IEEE CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n[nH]2)c1C 1565630111 RXSGYWMIPKUVBW-AYOJFOFBSA-N 425.493 2.117 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)N(C)[C@H](C#N)C3(SC)CC3)CC2=O)cc1OC 1583141652 ZKBCVJGOBIXZNX-QFBILLFUSA-N 431.558 2.341 30 10 IEEE N#CCOc1cccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 1583692903 VLZJWCXKRBWKMS-UHFFFAOYSA-N 436.873 2.482 30 10 IEEE Cc1ccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)cc1C#N 1584104397 HEZTVJTZQGSRIB-UHFFFAOYSA-N 444.236 2.377 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC[C@@H](C)C1 1587969999 LSZYIWLDLMVOGZ-MSOLQXFVSA-N 443.621 2.428 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@@H]2C)CC1 1588876639 DIBJUKQISDLOGS-INDMIFKZSA-N 428.581 2.460 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1593671513 LWENAJMGUSNJNP-UHFFFAOYSA-N 437.541 2.480 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](COC)OC)CC1 1594229558 OXIZXVMTPRZTHE-QGZVFWFLSA-N 448.593 2.302 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1594784100 REUNIGHGSPNNBO-UHFFFAOYSA-N 449.559 2.305 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS1 1595283540 RPKFIFCFTOVDHI-GOSISDBHSA-N 426.550 2.455 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1596792429 WJMPBZYTBLEOJT-CVDCTZTESA-N 448.612 2.150 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCNc1nccc(C(F)(F)F)n1 1596813003 CYYCXJJGGDZHIZ-LBPRGKRZSA-N 434.430 2.195 30 10 IEEE CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1615501120 BRDRIKCGTVFRFM-ZJYNUGOYSA-N 442.545 2.396 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C[C@H]1C 1615857683 QBXBSTGXFNAXKO-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCC4(CCC4)CO3)CC2)cc1 1616429060 DUBHOBUOCKIOSX-LJQANCHMSA-N 431.558 2.424 30 10 IEEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1618265799 KQKIGVXGUIHHEH-QGZVFWFLSA-N 444.532 2.063 30 10 IEEE COC(=O)Nc1cccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1618906152 JLCZJYXVMZXPRJ-UHFFFAOYSA-N 432.488 2.406 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1620000982 DWQPSBZWRGGBBI-URZJWIJPSA-N 430.553 2.143 30 10 IEEE CN1CCC[C@H]1c1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n[nH]1 1624379940 HOORJCTVDJVNSR-FQEVSTJZSA-N 436.495 2.318 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)c1 1624519374 HNKWMFSIXCTIPM-QGZVFWFLSA-N 427.526 2.034 30 10 IEEE N#Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)[nH]c2ccccc12 1625906978 FGTNAJYFZUDSPR-MRXNPFEDSA-N 438.509 2.427 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@@H](C)[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 1627295980 QXYQQTHWSMPHFC-ZACQAIPSSA-N 449.573 2.457 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1S(=O)(=O)NCC#N 1627639909 SEWWYSPXAKGROI-RTWAWAEBSA-N 441.553 2.395 30 10 IEEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c2)CC1 1627976180 DAGFQHCFZHOCNX-UHFFFAOYSA-N 434.468 2.415 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 1630825932 YGWRQMRMEGLNOL-OALUTQOASA-N 428.533 2.382 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cs1)C(N)=O 1631335848 MRPCDQWLNMNSNS-GUYCJALGSA-N 429.571 2.260 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC 1632067114 JWQHCSQYYMCVFR-YJYMSZOUSA-N 429.901 2.333 30 10 IEEE Cc1cc(N2CCN(C(=O)CN(C)C[C@H](O)c3cccc(C#N)c3)CC2)nc(C(C)C)n1 1654148906 ONNJCPPEKKYXEB-NRFANRHFSA-N 436.560 2.094 30 10 IEEE CO[C@@H]1COCC[C@H]1N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1654651453 WHQZFMDKTTVRNZ-MAODMQOUSA-N 430.549 2.092 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OCCOC)c(Br)c1 1665727980 OOVWBMFRDLOGAO-UHFFFAOYSA-N 445.379 2.192 30 10 IEEE C=CCn1cc(CNC(=O)Nc2c(C(=O)OCC)nc3c(Br)cccn23)nn1 1673022464 LFWGDMGNVVDANN-UHFFFAOYSA-N 448.281 2.373 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)CCO2 1676011550 ODJYZFPVEPNMCA-ASNBIDDJSA-N 430.480 2.030 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)nn1 1683483079 MNOZRABVSFPDTG-KRWDZBQOSA-N 436.520 2.411 30 10 IEEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1687564089 XFAZYPMGGIIFEZ-UHFFFAOYSA-N 435.528 2.253 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1689992632 NKCIPFVRZSLWCG-IBGZPJMESA-N 449.536 2.317 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2sc(C)nc2C)CC1 1690110653 VGRIWVSDHJQFDE-UHFFFAOYSA-N 443.621 2.268 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H](C)N2CCCCC2)CC1 1690110805 ZXEJIXJZLHYBBH-FQEVSTJZSA-N 443.640 2.216 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690170778 QEWGEEUDFXDTGE-LJQANCHMSA-N 437.573 2.425 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690430156 DXDULPHNSHRXQC-DLBZAZTESA-N 449.563 2.208 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)C(C)C)CC1 1690715054 BLZITMMJRXDPEC-MRXNPFEDSA-N 425.599 2.133 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(C)C1CC1 1690995161 DSAPJWAOSIVGIR-JKSUJKDBSA-N 430.578 2.427 30 10 IEEE COc1ccc(C[C@@H](C)CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1697393810 ZAERGSISZGBYPG-VNRULFPQSA-N 438.532 2.437 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705517440 VRAIOQXCNZSCGD-IBGZPJMESA-N 436.564 2.216 30 10 IEEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705528573 LADNDYVYJYNUKF-FQEVSTJZSA-N 441.532 2.107 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ncn(C)n1 1705624200 TZJFMGFISSQVAT-UHFFFAOYSA-N 444.337 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1705647888 KSSVJSMCYCGZSM-NHCUHLMSSA-N 442.608 2.012 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1705887108 OLNHRSXZCSZAGL-HQRMLTQVSA-N 430.578 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705900881 SJNBDOMNWNYOEA-MOPGFXCFSA-N 438.580 2.128 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1705946635 NCWGCPFOPOLUKQ-GOSISDBHSA-N 429.546 2.412 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1706574533 GUGHCLLVCSBCEG-UHFFFAOYSA-N 437.592 2.458 30 10 IEEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCCC1 1708884488 GUAOWKKBRYSUPX-SJORKVTESA-N 438.598 2.177 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1722276928 KASFAOFRWWVMHB-WZONZLPQSA-N 435.532 2.406 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722313781 CYSAOTNCFSVYHF-IBGZPJMESA-N 426.546 2.138 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722335651 GDOKKNOXAIHJIX-IBGZPJMESA-N 436.516 2.101 30 10 IEEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1722578363 JCNCTGGABVJVJB-UHFFFAOYSA-N 448.618 2.121 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1722707522 RHMYIIMVDYDBRF-UHFFFAOYSA-N 436.516 2.181 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 1722730228 MCFYPLLWPYIISH-MSOLQXFVSA-N 435.594 2.018 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722739159 AUFVOCWACLJQSV-IEBWSBKVSA-N 448.637 2.228 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722883607 ZDHMWDRZQWUMEO-GOSISDBHSA-N 441.605 2.269 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722883608 ZDHMWDRZQWUMEO-SFHVURJKSA-N 441.605 2.269 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1729408539 GFNRBMKAHKCLFT-JOCHJYFZSA-N 449.540 2.301 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1729474311 RDXUSFCQEJFWHV-SZLLDUCCSA-N 444.536 2.051 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730415405 RGLYBDNIQNZODV-DNVCBOLYSA-N 426.521 2.063 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740952757 MVPXDHNJEDTXCY-KRWDZBQOSA-N 447.543 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2c(C)cccc2C)C1 1740982190 ZJMHBNNBGBXBLI-QZTJIDSGSA-N 438.532 2.266 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1740995424 LHWZSRBUUNTSMV-UHFFFAOYSA-N 428.562 2.393 30 10 IEEE CC(=O)NCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1741119869 BVADOEMPWNSFGX-INIZCTEOSA-N 434.953 2.479 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1748639049 BFLIYPHETJDQFS-OLZOCXBDSA-N 425.942 2.057 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1748717785 IOCKHAROAYXBLE-HKUYNNGSSA-N 447.561 2.349 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1cc(F)ccc1N1CCOCC1 1748772381 NHABWPXGFHQWCB-QGZVFWFLSA-N 431.512 2.096 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748804767 KUCAFSAVMXYODY-KZNAEPCWSA-N 433.578 2.314 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1748843835 KFDPVNROFCMMLV-FCHUYYIVSA-N 446.555 2.148 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)cc1 1748846724 KNWQRTFXODMQJI-IBGZPJMESA-N 426.542 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1748891960 WQZPUWRHRLZQTB-LJQANCHMSA-N 437.544 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1748902892 MSNNSNZYAXTSES-FQEVSTJZSA-N 430.512 2.106 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1748906956 DQLSIXMDTNKYKK-HSZRJFAPSA-N 435.532 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCOC2)CC1 1749019132 MCARHAUYBMESES-MISYRCLQSA-N 443.592 2.199 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1749583076 VRZCMECZPLQBIL-LEWJYISDSA-N 439.560 2.289 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1749617297 GSKALKCUYOKVNF-VGOFRKELSA-N 429.521 2.131 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1749663670 MLVYOXLZWXUTKR-IBGZPJMESA-N 448.575 2.082 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1751587971 HGAISIIWRVOQLS-IERDGZPVSA-N 426.546 2.086 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1760095999 DHAMYSMFXIGKBE-ROUUACIJSA-N 443.573 2.430 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760120052 HCQVJCDYNXVCJG-QGZVFWFLSA-N 432.532 2.104 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC[S@](=O)C(C)(C)C)c1 1760127716 JJIJKKCDPAMTDL-HKBQPEDESA-N 445.589 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1760268548 TXOQNQFRSNUOPR-MOPGFXCFSA-N 437.592 2.359 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1760515200 QXTJMKSUXZSGOK-SFHVURJKSA-N 440.548 2.311 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760519639 KLLSCBHETVXGBW-LJQANCHMSA-N 449.559 2.250 30 10 IEEE Cc1ncsc1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1761614815 XBJCQNUCOIHUSZ-OXJNMPFZSA-N 432.550 2.055 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1OCCC1(C)C 1766400692 LCMNLTLRSJKJBD-SFHVURJKSA-N 425.537 2.223 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1 1766676975 AMUJUTHYOXISEC-UHFFFAOYSA-N 427.530 2.447 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)C(F)(F)F 1768052028 DUBVJEWHBMCZQU-IXDOHACOSA-N 448.449 2.499 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1769849654 XFEUPUPNBNOQFM-IBGZPJMESA-N 435.532 2.375 30 10 IEEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cn2)cc1 1849763760 WWSSXOQHDLBNFZ-UHFFFAOYSA-N 429.480 2.139 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCOc1ccc(OC)cc1 1869933628 KWIARMABKRIKBY-SFHVURJKSA-N 431.514 2.098 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)C1 1870023069 IQXRBPHUORTUFV-RKVPGOIHSA-N 442.545 2.244 30 10 IEEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870370562 CSQAGDHGLFGQGV-UHFFFAOYSA-N 440.544 2.474 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 1875230676 JPKREKKNRBLFFY-SFHVURJKSA-N 429.908 2.481 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H]1CCCO1 2141675721 SLSIQUMJGQARRB-RDJZCZTQSA-N 447.341 2.392 30 10 IEEE CN(C[C@H]1CCCS1(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172784055 MYDWVWVREIYZHC-CYBMUJFWSA-N 445.188 2.157 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224103717 XJDRAWRPUSYFER-MRXNPFEDSA-N 433.358 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2224128300 SLTZPDPGHCQKOC-UHFFFAOYSA-N 433.358 2.312 30 10 IEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254798266 AVCRCXKAPGJSNL-DLBZAZTESA-N 433.358 2.499 30 10 IEEE C[C@@H](CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255826801 SFOABPNGCPAWPR-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2265106422 BDRPBDGFNHQIFS-ZNMIVQPWSA-N 431.327 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CC[C@@H]21 2267140868 UEKKEBASIZUMAM-DZKIICNBSA-N 446.357 2.227 30 10 IEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142195 QUSURQVHRJEWMI-INIZCTEOSA-N 448.373 2.426 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2267173439 KWQVAHIUIMDKBM-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCC3(C2)OCCO3)OC1(C)C 2267369209 TXATYOHDGIXMNG-CYBMUJFWSA-N 429.369 2.011 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267495354 LKJNTODJRIJXRD-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ccc(OC)cc1B1OC(C)(C)C(C)(C)O1 2267577465 DXIPEFUIWKEKHC-UHFFFAOYSA-N 438.333 2.383 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267844407 KZBGGNXTERJACX-QFIPXVFZSA-N 447.341 2.126 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268633936 FPHCLLFYPFOVDQ-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268634839 KURHVZJDGPGCSY-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268785023 JPXYBWUBLYGSFY-CVEARBPZSA-N 447.341 2.080 30 10 IEEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1 2296576836 LZATXVLIHHAUMT-QFIPXVFZSA-N 449.507 2.400 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(F)c1 2296625830 ZETOWEXRFHRACD-FQEVSTJZSA-N 442.491 2.310 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2337323269 GKNMWGVFZNBAPK-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE CC(C)(C#CC(=O)[C@@H](O)c1sc(Cl)cc1I)S(C)(=O)=O 2366643321 PZUUCUNGVVNAOI-SNVBAGLBSA-N 446.715 2.435 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(C)c2)[C@H](C#N)C(=O)N3)CC1 72444743 OTFDPGWMQZXFKY-IRXDYDNUSA-N 435.484 2.082 30 10 IEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3cccc(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1 102718302 HITKLSXATNTMCT-LCPUNJGISA-N 438.480 2.465 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H](C)/C(N)=N/O)cc1Br 155815056 WXMKAOQPMKQSJW-ZETCQYMHSA-N 429.134 2.275 30 10 IEEE Cn1c(=O)c2c(nc(NN=Cc3ccc(O)cc3)n2Cc2ccccc2Cl)n(C)c1=O 263630862 NLJALUBHGOQYRT-UHFFFAOYSA-N 438.875 2.287 30 10 IEEE COC[C@H](C)N/C(=N/N)Nc1ccc(I)c(Br)c1 302315884 DHLVDPHNPGFXDJ-ZETCQYMHSA-N 427.084 2.320 30 10 IEEE N#C[C@H](CCn1cnc(I)c1I)NC1CC1 304428140 QJTSTXPKJPKETI-QMMMGPOBSA-N 442.042 2.127 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CCc2ncncc2B2OC(C)(C)C(C)(C)O2)C1 382577145 AIXIPAYSJVSZDI-MRXNPFEDSA-N 432.374 2.307 30 10 IEEE N#CC1(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CCSCC1 464401787 FXMUSGMOWAIJIO-GMSFPVLESA-N 447.560 2.371 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 478755969 URUFNCLYJVITKL-KRWDZBQOSA-N 425.554 2.301 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 481135800 HNAQGBVVQZRMAU-OAHLLOKOSA-N 432.933 2.227 30 10 IEEE Cc1cc(=O)c(-c2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)c2n1CCC2 485341412 ADOQSMGFNHYZIJ-UHFFFAOYSA-N 425.470 2.012 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1S(=O)(=O)NCC#N 497457295 BONOPAQFFKLRLE-AZUAARDMSA-N 448.495 2.250 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 497636635 HWYLQHMLKVGNIA-FQEVSTJZSA-N 427.892 2.077 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)C1=O 501821688 LKRGDLAABCSDAZ-MRXNPFEDSA-N 437.456 2.157 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N[C@H](C)c1ccc(F)cc1 507552496 RWXQIXSCWQTXCW-CQSZACIVSA-N 429.477 2.316 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 508463211 FBBBDYRTRGJBDK-UHFFFAOYSA-N 433.354 2.152 30 10 IEEE CCc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cnc2c1c(=O)n(C)c(=O)n2C 514038155 OXGPAUCJHDYTJL-UHFFFAOYSA-N 446.492 2.442 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccccc1C 514522154 UWQJWPQRYZLSPT-UHFFFAOYSA-N 438.578 2.392 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)c1 523971507 ITUUXMYVHGYLET-UHFFFAOYSA-N 446.507 2.246 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)cc1F 551921021 DLCCJOZHIXOOJU-UHFFFAOYSA-N 436.512 2.261 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]3c3cc[nH]n3)nnc12 552545596 VRUXVXGHEOVGMR-QGZVFWFLSA-N 435.513 2.409 30 10 IEEE N#Cc1ccc(OC2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)cc1 559101552 MPWGARQOULKMKW-SFTDATJTSA-N 439.516 2.464 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 562921956 MCAIHGAOXVGVKV-GHTZIAJQSA-N 433.516 2.277 30 10 IEEE CCn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@H]1CCCO1)CC2 619850954 HMMUAIYZXLFLGF-LJQANCHMSA-N 431.500 2.135 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 670213996 AQFHMOUIDANCEZ-QGZVFWFLSA-N 435.532 2.356 30 10 IEEE Cc1noc(CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)n1 726271624 WJRILFXIEICEIO-JJIBRWJFSA-N 434.522 2.335 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2cnn3ccccc23)c1=O 729670798 KISQFCXRTPAYST-UHFFFAOYSA-N 432.530 2.499 30 10 IEEE COc1ccc([C@H](CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)NC(C)=O)cc1 730407277 GJDXZLIQWNRCOZ-SFHVURJKSA-N 435.889 2.293 30 10 IEEE Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 732494825 OFAKAWFOVRCHIX-FPOVZHCZSA-N 430.464 2.118 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cccc(-n3cncn3)c2)C1=O 735406953 AIFMRXWQBSIODQ-LJQANCHMSA-N 445.508 2.407 30 10 IEEE C[C@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)NC1(C#N)CCCCC1 744894988 NNELTWBPGZVKMM-NSHDSACASA-N 433.408 2.263 30 10 IEEE Cc1cnn(Cc2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)no2)c1 755563257 GXCCYZPEHUBILY-LYBHJNIJSA-N 442.501 2.293 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCCC1 756910958 IGXZNBLWFZCKEV-UHFFFAOYSA-N 429.995 2.112 30 10 IEEE Cc1ccccc1-c1nc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 761004545 OIWWDMBNUSIUHS-UHFFFAOYSA-N 426.454 2.217 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 771643861 PBYVIROZJFDVIF-JLTOFOAXSA-N 431.489 2.089 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)OCC)c2ccc(F)c(F)c2)c1 780494466 GTGJCARGQODVMJ-SFHVURJKSA-N 437.420 2.338 30 10 IEEE Cn1ncc(Br)c1/C=C/C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 782341016 HKGJNKVIDSSLPY-AATRIKPKSA-N 440.319 2.100 30 10 IEEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782884845 QLBSPNZURPDZRA-CYBMUJFWSA-N 448.442 2.304 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1)CC2 786808833 GJWYWKPTMCSBOM-MRXNPFEDSA-N 429.498 2.247 30 10 IEEE C[C@@H]1CN(c2ccc(C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 787054791 XIZWZRSXEHJNBY-CLCXKQKWSA-N 437.456 2.242 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 794060118 LWIAMQXOSTXBOQ-OKYOBFRVSA-N 436.961 2.240 30 10 IEEE C=CCOCCCOC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 795629514 GTANQTUMXCRTHX-UHFFFAOYSA-N 430.954 2.416 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 796728715 QJBNHECPKFNHBM-UHFFFAOYSA-N 440.930 2.412 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCF)C1=O 797815104 LQGPINSMVOYYTP-HNNXBMFYSA-N 425.917 2.181 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(CC(N)=O)CC1 802550391 YLNCYQYGMRLERP-UHFFFAOYSA-N 426.521 2.372 30 10 IEEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C(=O)NCc1ccc(C#N)cc1F 804161843 CSTJQFWNZOXNGI-CXAGYDPISA-N 448.495 2.190 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NCCc3cccc(C(N)=O)c3)c2)s1 804269957 GJTZBJVPQYHDQA-UHFFFAOYSA-N 432.505 2.361 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C2CCN(C(=O)C3CC3)CC2)C1=O 914541009 ISGHYYZOECUCEM-GOSISDBHSA-N 428.558 2.464 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc([N+](=O)[O-])c2)n1N 1084496967 DGLZWGIRHXPOMG-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N(C)CCc3cccc(C#N)c3)cc2[N+](=O)[O-])CC1 1132732733 ISVOUGDTXBAIKU-UHFFFAOYSA-N 435.484 2.450 30 10 IEEE CN(CCN1CCOC(C)(C)C1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1139732760 RJZWCUQEQCBNFG-FRIYVGAWSA-N 434.581 2.342 30 10 IEEE N#C[C@]1(C(=O)NC[C@@H](O)COc2ccc(I)cc2)C[C@H]2CC[C@H]1C2 1150174559 BKMFWQIVWAXLSE-FHKFTOANSA-N 440.281 2.477 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCC[C@H](n3nncc3I)C2)c1 1153137219 YSFMTJBATPLAKW-NSHDSACASA-N 425.205 2.371 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 1224552428 HROGLZZOMBAGEX-UHFFFAOYSA-N 430.501 2.450 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286398914 TUGUILORGUQTBD-AZUAARDMSA-N 444.557 2.144 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1286415605 HMVNBCDPKZPFFS-UHFFFAOYSA-N 441.963 2.430 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C 1286563692 QROOFRFMWLERSC-PZJWPPBQSA-N 444.624 2.301 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286778513 BPJQABSYWFWUFU-PMACEKPBSA-N 436.560 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C(N)=O)nc2)C1 1286811675 DNUODMMVOYKSRO-HXUWFJFHSA-N 448.527 2.489 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCOCCS(C)(=O)=O 1287229607 VKUNETDOVJBYNT-MOPGFXCFSA-N 431.562 2.206 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 1287989000 PKMCNBBZKOSTAO-UHFFFAOYSA-N 436.306 2.217 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 1292108420 PSMMFYSSSBVOEY-UHFFFAOYSA-N 430.505 2.080 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1296971139 AFNXEGJBQZKYJL-GOSISDBHSA-N 429.546 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300314267 CXBXMZCAHSTGBY-FUHWJXTLSA-N 436.482 2.375 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1300337272 XQVFWLJBZFWYFO-KRWDZBQOSA-N 430.553 2.421 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300418954 CKOKGDCXILZEFL-LJQANCHMSA-N 432.532 2.009 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1300485801 YSWNCOHNGXJDCZ-SYNHAJSKSA-N 436.603 2.388 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1300495940 LGFNEVSYKFORMQ-QGZVFWFLSA-N 446.621 2.010 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1300496270 PBIRUUIJKOKRTK-WMZOPIPTSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOc1ccc(C)cc1 1300537865 KQUBHQSVDZNVIW-HXUWFJFHSA-N 440.569 2.421 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC=C 1300609505 QPZMVQMXJBALNS-UHFFFAOYSA-N 432.322 2.478 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300635877 ZSJWTJBDVDNABH-LJQANCHMSA-N 437.523 2.083 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCc2ccccc2C1 1300664684 SKDDTWANUPHTJV-IBGZPJMESA-N 433.560 2.211 30 10 IEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300702222 IEXHVHUYFUYSAV-HNNXBMFYSA-N 440.529 2.138 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCSC2(C)C)CC1 1300725746 JHEGDOHJTZXHIM-ZWKOTPCHSA-N 431.606 2.280 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCC)CC1 1300732372 MUFAGASVTMUYIL-UHFFFAOYSA-N 446.621 2.013 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1300806479 WNRSNIAUKWYMGJ-XMSQKQJNSA-N 427.574 2.287 30 10 IEEE COC[C@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1301039046 HGFVAAJKNQNZGO-MLGOLLRUSA-N 429.269 2.473 30 10 IEEE COC[C@H](F)Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301069438 RYZIPVCXIYGUJX-MRXNPFEDSA-N 432.548 2.091 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C#N)C1 1301482300 UPVGMLZFYNMDQB-HXUWFJFHSA-N 445.527 2.384 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccs2)C1 1301557959 RZIPHGPEJNOJLN-DLBZAZTESA-N 431.562 2.445 30 10 IEEE C=CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301620500 GHIFPQPDSDWWEW-NRFANRHFSA-N 437.610 2.297 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1301958333 BDFUNCKWEOIOPN-MRXNPFEDSA-N 440.529 2.418 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1301965062 HDUIFZVGBFWYNX-HNNXBMFYSA-N 427.534 2.058 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NC2CCCCC2)CCO1 1303001864 MDJAHWBCRQDGKU-SFHVURJKSA-N 439.476 2.031 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2F)CCO1 1303009111 FLAOXZOVRUGQCO-MRXNPFEDSA-N 440.504 2.380 30 10 IEEE Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1304307557 NMERRZNWVVYAMT-ZJYNUGOYSA-N 440.504 2.377 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)c1 1304726840 CMWQHNQEHGLANI-BATSVXPKSA-N 435.567 2.431 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 1305590470 REEQZUIUBBMLPN-UHFFFAOYSA-N 437.934 2.056 30 10 IEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)CC(F)(F)F 1314848008 DLANAEMZXQAOPF-UHFFFAOYSA-N 435.454 2.027 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCOC2)cc1OC 1335739245 JUEIIEZOBXSYQQ-QFBILLFUSA-N 438.532 2.175 30 10 IEEE N#CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 1350336461 BGHLOVIBFNMBJQ-QGZVFWFLSA-N 428.470 2.125 30 10 IEEE Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1352747068 MEQHBQBLKGYUQV-UHFFFAOYSA-N 439.950 2.356 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358906473 ITPATXFJZSBAIW-IBGZPJMESA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC[C@H]1C 1358948630 GZJFHNQFLCQQHW-GOSISDBHSA-N 446.596 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1CCCCO1 1358971639 CSFLLHNUJPFUBY-LJQANCHMSA-N 426.542 2.381 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccn1C(F)F 1359006829 KKJXSFOTNOEHFU-UHFFFAOYSA-N 448.503 2.338 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(C)=O 1359015534 WXHQWBPLMQIPKZ-UHFFFAOYSA-N 449.490 2.231 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)cc1 1359023962 BQDTYRFYYLYGEK-IBGZPJMESA-N 446.573 2.102 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1359081561 GKAAMRQYYYZJLQ-UHFFFAOYSA-N 442.272 2.080 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359085077 AMQILGHNAMHXMO-OAHLLOKOSA-N 446.309 2.442 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1359211454 DRASCRDUVPEOLE-UHFFFAOYSA-N 435.536 2.192 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1359310436 WBWCBISEMJGMRW-NRFANRHFSA-N 448.527 2.213 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)F)CC1 1359400386 JZNFDUXJALITEO-UHFFFAOYSA-N 431.491 2.072 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1359570388 BIWRGZSGVWOAQG-UHFFFAOYSA-N 439.520 2.058 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCOCC2)C1 1359578791 SWXZCUNOJAIZEC-FGTMMUONSA-N 446.552 2.204 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC)C(=O)OC 1451184179 ZBSNOKFBWUUZMK-LJQANCHMSA-N 434.448 2.176 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)CC2=O)cn1 1456779100 DCOSUAISSURPLF-GOSISDBHSA-N 447.499 2.195 30 10 IEEE C=C[C@@H]1OCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 1460108451 JOVGQBQDCYCRJD-QIESAVBPSA-N 435.933 2.426 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)NCC2(N3CCOCC3)CCOCC2)ccc1OC 1468772748 GWISKAYKVDNWHN-LJQANCHMSA-N 446.548 2.057 30 10 IEEE CN(C)C(=O)c1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)ccn1 1472515984 BOJMLDHOOGMDLR-UHFFFAOYSA-N 428.290 2.492 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cc(C)cnc3O)nnc12 1472627535 XPTICJHWCAPYMC-UHFFFAOYSA-N 436.497 2.048 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1503943537 HJMBOQLKOPHJMV-PMPSAXMXSA-N 435.550 2.021 30 10 IEEE COC(OC)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1504010750 XZSSNXZCVAEVQR-IERDGZPVSA-N 428.468 2.011 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1)OC 1504594682 HMSZHACOCCLORI-REWPJTCUSA-N 441.532 2.397 30 10 IEEE COCC1(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1504623688 GKGKORXZMHYQEA-UZLBHIALSA-N 439.557 2.219 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCc2nccn2C1 1504887370 PNUDJEMBLRJHQY-QGZVFWFLSA-N 440.577 2.459 30 10 IEEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1505136509 BHZNZFZBUUKQOF-HKUYNNGSSA-N 446.552 2.427 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(=O)(=O)CC 1507517682 RAHQCCCHKPGMDE-CABCVRRESA-N 439.969 2.469 30 10 IEEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507556102 ZHLNBHKLXQGSQF-QGZVFWFLSA-N 433.459 2.301 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1507643487 WBFVPMAPNXKUNN-HZPDHXFCSA-N 449.964 2.082 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)SC 1507648653 QJVSBPNQAYDZGW-UHFFFAOYSA-N 430.603 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCCN1C1CC1 1507660897 GXZYEGAMTMSQBA-ZJSXRUAMSA-N 425.577 2.410 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1507692311 WKFZJQOHPZPQJN-KRWDZBQOSA-N 429.525 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ncccc2N(C)C)CC1 1507733818 BNIZCQGVRWAEBO-UHFFFAOYSA-N 447.543 2.322 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC(F)F 1507970628 LQMWJQARYAUNLD-UHFFFAOYSA-N 428.509 2.451 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1508131488 MYUZEFNPHUJCNF-QGZVFWFLSA-N 426.583 2.024 30 10 IEEE Cc1sc(=O)n(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1-c1ccccc1 1533849753 UBIBNXLMJRNCMA-HNNXBMFYSA-N 434.525 2.284 30 10 IEEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCO1 1538844581 SUEBAXNJKLJYBE-JOCHJYFZSA-N 427.526 2.382 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1539101879 LKNKDNRKAWFXLS-VGSWGCGISA-N 444.557 2.146 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1539231811 YKVBONSCBDAZED-LJQANCHMSA-N 446.573 2.137 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)CC1 1539454097 WLYFHSVLLJPNCG-UHFFFAOYSA-N 440.979 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)Cc2ccc(C#N)nc2)C(F)(F)F)CC1 1539593619 ASERKVLYFMNHJH-MRXNPFEDSA-N 441.454 2.096 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1539939258 FWBDBYCENRLWOU-IBGZPJMESA-N 434.548 2.500 30 10 IEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540026245 BLNBYCLPKKEGAS-GOSISDBHSA-N 442.495 2.150 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1540133919 PKTWNHFTXAIPAC-GOSISDBHSA-N 441.561 2.042 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1540182089 JBQOEGWHRLOIOY-MRXNPFEDSA-N 435.488 2.032 30 10 IEEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1540239776 MUMDNLPYWHOLJI-UHFFFAOYSA-N 430.482 2.150 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540875425 LMUHNMFMDNNSIX-IYBDPMFKSA-N 435.937 2.088 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1541885585 AMSFXFSFXPNYMT-VFNWGFHPSA-N 449.531 2.003 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1555223341 HMQMUHHWFPIDBU-KRWDZBQOSA-N 440.504 2.042 30 10 IEEE COC[C@@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555275636 CVINUWKSWHXJHJ-QFIPXVFZSA-N 449.534 2.442 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)CCC1 1559530099 MDHWPHYWLDKQAE-FQEVSTJZSA-N 435.590 2.403 30 10 IEEE CC(C)[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1Cc2ccccc2C1=O 1568504611 CWMLAARWTGMPAV-VXKWHMMOSA-N 430.508 2.456 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1595184911 GEIQJTCJVWRYCP-UHFFFAOYSA-N 432.546 2.069 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595577501 UZWMCBHTWAUQCC-XUVXKRRUSA-N 425.533 2.186 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)nn1 1598174481 JZLSDCCWMFWCHG-HZPDHXFCSA-N 447.561 2.069 30 10 IEEE C=CCn1cc2ccc(NC(=O)c3ccccc3S(=O)(=O)CCS(C)(=O)=O)cc2n1 1611187786 GGYTXGMROMULEA-UHFFFAOYSA-N 447.538 2.293 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)cc2)c1 1611407176 ZBZSDWDADPZUFP-FQEVSTJZSA-N 434.427 2.401 30 10 IEEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ncc1Br 1611718227 MUSMJEJMHNQTSB-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(CC)CC)CC1 1615957180 FWBIRTQSMASUNA-SFHVURJKSA-N 438.580 2.399 30 10 IEEE C[C@@H]1OCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1C(F)(F)F 1620448809 VPXRPEDTADIFGL-FNHZYXHNSA-N 428.430 2.186 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)C(=O)OC 1622226059 GTYFBHDKMUPLCG-NSHDSACASA-N 439.125 2.363 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O 1627960712 XMLVEUSJMFYTSO-MOPGFXCFSA-N 429.517 2.219 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1OC 1628691680 FUWVMOZVGXPRTA-DOTOQJQBSA-N 426.535 2.307 30 10 IEEE N#Cc1cn(CCC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c(=O)nc1O 1629709714 HBIHBIDREWYDBO-UHFFFAOYSA-N 435.528 2.258 30 10 IEEE C=CCNC(=O)CNC(=O)Cc1cc(Br)cc(I)c1 1631619595 UDPQPMHXLHBEHE-UHFFFAOYSA-N 437.075 2.015 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1634566017 XOJMUJCGTJCYNT-GOSISDBHSA-N 448.951 2.144 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CN1C(=O)COc3cc(Br)ccc31)C2 1636719896 XIQSNWHYFYOUMS-UHFFFAOYSA-N 447.314 2.275 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 1641395607 ZMTCOWUJJMYZNF-UHFFFAOYSA-N 436.534 2.166 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)c1C#N 1648433299 VVXRCHLUWWBVGV-UHFFFAOYSA-N 434.220 2.200 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)c(=O)c1C#N 1650982626 JQRDGSKNUVFXCA-HNNXBMFYSA-N 429.274 2.434 30 10 IEEE N#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1654207775 DLLNMDGZIBOKMM-IBGZPJMESA-N 440.569 2.298 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(=O)(=O)CC 1689893519 ZJJWELOELFFOFT-LJQANCHMSA-N 432.546 2.465 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689982301 KNFNEHSSIVOKBZ-AZUAARDMSA-N 442.541 2.273 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1690043953 UHIIZRVOZWMXQJ-OAHLLOKOSA-N 438.438 2.481 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](OC)C(C)C)CC1 1690123944 ABNFQZJHHAZVOL-SFTDATJTSA-N 425.533 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1690243823 QANRVFDAPSTSDE-OALUTQOASA-N 425.537 2.173 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690348795 BCSMWWNNVUQRBG-UZLBHIALSA-N 443.983 2.005 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690655352 QGGPWDSUZZRGKN-HFTRVMKXSA-N 435.550 2.033 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690722925 BAJMNLVKFWQAHO-LPHOPBHVSA-N 431.562 2.253 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCOCCS(C)(=O)=O 1690999432 IKRQPJUMHIUBHU-AWEZNQCLSA-N 425.942 2.256 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1692662220 GVKGKCQDFLKQSK-NVXWUHKLSA-N 448.618 2.038 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)c1 1697308188 HONJCMRFGNQPNL-GOSISDBHSA-N 443.895 2.241 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1CC 1705482456 ZWPXEOCRCVGPPH-IEBWSBKVSA-N 444.605 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCOC)cc1 1705495960 XYRQYBSSPLWDHJ-HKUYNNGSSA-N 446.573 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1705504433 WIEVVUPXYODVLD-XYJFISCASA-N 442.568 2.268 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705513369 JJPJQTCWNMDUPI-UHFFFAOYSA-N 437.592 2.222 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1705517377 UTBACWCNZCBMRK-QGZVFWFLSA-N 437.591 2.112 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705538498 QVYIKRDNDGNNRI-HXUWFJFHSA-N 429.565 2.368 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705559656 AGNQEPMEWPWMNF-YADHBBJMSA-N 441.601 2.359 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1705570826 RTTAHGGBXGLSTG-ZWKOTPCHSA-N 434.606 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)NC(C)C 1705592037 PFSFUDBBLQTJHT-UHFFFAOYSA-N 433.965 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)NCC(F)F 1705601836 XLZJFZLYOFUMHU-UHFFFAOYSA-N 429.471 2.318 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCOCC1 1705608997 MGVZUFJZLIVOJY-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)NC1CC1 1705625282 FGMCTROMRSJDST-LJQANCHMSA-N 438.507 2.067 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1705846462 HNKPMOKPHWMPQN-UHFFFAOYSA-N 437.548 2.277 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1nccc(C(F)(F)F)n1 1705883242 BBNDRPBXADSPLL-UHFFFAOYSA-N 434.426 2.425 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 1706655581 CFJUPUDFRLCSHV-UHFFFAOYSA-N 428.518 2.374 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1706768696 DVCZBKSYMGKBSH-WIEQDCTASA-N 449.531 2.174 30 10 IEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)CC1 1712883090 KVQJSMPRMDPFHY-CQSZACIVSA-N 436.488 2.434 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@@H]1CO 1722287373 PBIRXJUZTNCTKU-AZUAARDMSA-N 439.560 2.411 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722698288 XUKUEBMXNBZONQ-QGZVFWFLSA-N 437.523 2.440 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1C(C)(C)C 1722708305 PLAKFVDJTWKWQN-UHFFFAOYSA-N 440.592 2.447 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC(C)CC2)C1 1722709040 IOYIIGXXJNCXGI-UXHICEINSA-N 430.597 2.416 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCOCC2)C1 1722721523 UCQNQIRLZBQSEH-KRWDZBQOSA-N 435.594 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(F)c1 1722729357 ZIMOSZSUDCXZEL-OAHLLOKOSA-N 426.489 2.297 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722751767 UJBDUQOAJRVGPV-QGZVFWFLSA-N 449.533 2.315 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@H]1C 1728553815 CZUFATCFOLRQHQ-MSOLQXFVSA-N 449.563 2.307 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C)C2)C1 1728940842 DVYJRKGQNSONCS-OYAOOFADSA-N 441.532 2.272 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 1729315404 APSWSODHPIQTLM-FQEVSTJZSA-N 442.589 2.170 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)c2ccccc21 1729572443 ISBWRWCVVLQXAY-INIZCTEOSA-N 426.546 2.281 30 10 IEEE COc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1730132076 LNDDBPOSMIUQQN-PKOBYXMFSA-N 427.505 2.161 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nnc2n1CCCCC2 1730854783 WTNIFUGBYHJQLA-VGOFRKELSA-N 442.568 2.498 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CCN1C1CC1 1731188890 JLBFWODEVAQHSS-AWEZNQCLSA-N 438.483 2.207 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCC2)CCO1 1731191039 XQUYWXPVYSSHDP-MRXNPFEDSA-N 429.912 2.125 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740580695 GHMUYIORSFXPGV-GOSISDBHSA-N 434.504 2.133 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1740614881 JPDPPQOFXJWUDR-KRWDZBQOSA-N 434.610 2.468 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740639323 UJUBSEWLRHEWOX-GOTSBHOMSA-N 433.556 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)N(CC)CC)cc1 1740644375 DCCURWYYSLISHK-UHFFFAOYSA-N 448.571 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1740649258 PQZYXERAZNKQPN-UXHICEINSA-N 432.528 2.271 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1([S@@](C)=O)CC1 1740689093 ZOZOGGIFPGXRLO-SSEXGKCCSA-N 425.558 2.278 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740702194 JMAKRXPGKUUNKC-CTNGQTDRSA-N 444.624 2.114 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnccc1OC 1740893649 RGYCBKDUXXTBFI-UHFFFAOYSA-N 442.545 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740958037 HJKBVWOWKCHXPL-JKSUJKDBSA-N 432.550 2.165 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1740981578 PNXFTFVFPWMVSB-IEBWSBKVSA-N 434.537 2.224 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(O)c2)CC1 1740995459 MQVNXAFUBIJVHL-UHFFFAOYSA-N 442.589 2.466 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1741126898 VXJBJWCJAOJZPD-CYBMUJFWSA-N 437.342 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748658360 QPPIAJBTSOZSQG-GHTZIAJQSA-N 433.560 2.217 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1748745244 MSLHDFQVIMDASW-XMMPIXPASA-N 447.543 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748890987 RLKNWXUGJFKUJY-RUZDIDTESA-N 447.539 2.436 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C1CCC1 1748915437 ZCDCHXWFOKSENN-UHFFFAOYSA-N 443.573 2.115 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C(C)(C)C)CC1 1749009596 CXQWTCWGIQXLEK-UHFFFAOYSA-N 436.560 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(C)(C)O)CC1 1749014707 MCZYQBUWKZHVJK-UHFFFAOYSA-N 445.514 2.274 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749044842 VGTGTYPHMBEGJR-MRXNPFEDSA-N 429.594 2.426 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@H](CC)C1 1749285645 RUFRSSCKDSVOPH-KSZLIROESA-N 427.977 2.302 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1749488970 PQDSOAOUZLKILX-PKOBYXMFSA-N 433.578 2.345 30 10 IEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1749508450 RFNHZGJAWWSVES-HXUWFJFHSA-N 426.583 2.298 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1749627199 GMGCCFGIQZTABJ-SFHVURJKSA-N 440.614 2.195 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccn(C)n2)C1 1749717977 SBBUTLHYGGXXSD-KRWDZBQOSA-N 441.561 2.027 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(-n2cncn2)c1 1749940207 ATKODINGJYRUCE-KRWDZBQOSA-N 436.520 2.371 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1760099265 ZUJKNEQPZCPPSB-JKSUJKDBSA-N 442.545 2.358 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760186576 DROYSJRZKQZZLA-QUCCMNQESA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCOCC1 1760196736 XFOSZHCOKTWLCP-UHFFFAOYSA-N 429.528 2.130 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CCCO 1760214582 UYMOYIKDSUEMCC-OAQYLSRUSA-N 449.555 2.026 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1760235769 WQLHSEHGVAPABP-SFHVURJKSA-N 434.585 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=C)c2ccccc2)CC1 1760265181 QSWRQTAZQMFCHI-UHFFFAOYSA-N 446.555 2.193 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)NC2CCCCC2)CC1 1760267686 WLCCTHHBPBHXIY-UHFFFAOYSA-N 448.571 2.360 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1760321953 MCVCLLIGEFJLQZ-XWSJACJDSA-N 438.594 2.167 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)CC1 1760396973 MBVXQFIXXKWMKT-MRXNPFEDSA-N 443.577 2.181 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCc1n[nH]c(C)n1 1760479716 XZZPXZFIDYHVRB-UHFFFAOYSA-N 428.504 2.412 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CC(F)(F)F 1761358599 ARGQWFNAVMIZFU-AWEZNQCLSA-N 448.457 2.153 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1764540948 RVESDBDXUBJJNP-LJQANCHMSA-N 433.520 2.166 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1 1765552083 CGSJKNILEDYTRG-UGKGYDQZSA-N 437.592 2.315 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1771169195 SPNVJAODNCCLJF-QGZVFWFLSA-N 429.521 2.052 30 10 IEEE Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccnc(C#N)c4)CC3)nn2)c1 1850826652 GUWMVOFDGBXNAB-UHFFFAOYSA-N 429.484 2.185 30 10 IEEE N#CCC1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 1851144958 RTTFVMIWSDBDJB-UHFFFAOYSA-N 437.283 2.436 30 10 IEEE COc1cc(N(C2CC2)C2CCN(C(=O)COc3c(C#N)cccc3OC)CC2)ncn1 1852744028 AVWYEKKWEZJVAK-UHFFFAOYSA-N 437.500 2.404 30 10 IEEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1=O)CC2 1855100791 QNKZEWMGGFSIPT-QAPCUYQASA-N 449.960 2.257 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@@H]2C)cc1 1856311259 KAQDEPHUVQWGSQ-HNNXBMFYSA-N 427.482 2.019 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1856548888 TXOPOUPPDUZQCN-PKOBYXMFSA-N 429.542 2.235 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc(F)cc2)CC1 1866868633 WBSGISYIURVVEI-MSOLQXFVSA-N 430.505 2.280 30 10 IEEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(CC)CC1 1868795892 NZMNLXKOUUQPGD-MOPGFXCFSA-N 431.606 2.084 30 10 IEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)N3CC(Oc4ccc(C#N)cc4)C3)CC2=O)cc1 1869923878 RHAPKCRJDRRTOI-GOSISDBHSA-N 433.464 2.378 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874354197 WNIRTNCUSXTQCP-LSHDLFTRSA-N 425.470 2.153 30 10 IEEE CC(C)N(CC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1)C(C)C 1889064763 YUQWSTCEAFDBAD-FCHUYYIVSA-N 428.602 2.468 30 10 IEEE CC[C@@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1962358894 SSSPGFDSESHONM-AWEZNQCLSA-N 432.543 2.323 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@@H]2OCC[C@@H]21 2060721717 TZGAMLSSUONISK-ANULTFPQSA-N 440.544 2.390 30 10 IEEE O=C(OCc1ccccc1)N1CCc2nn([C@@H]3CCCS(=O)(=O)C3)c(C=NO)c2C1 2069970117 JKAXQLJIIDDHRY-MRXNPFEDSA-N 432.502 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669788 HJDCFHNRHMCNIS-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE N#C[C@H]1CCCN(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2174789260 ONSYXYZLYMJHDE-MOPGFXCFSA-N 432.546 2.248 30 10 IEEE C[C@@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243417044 LEXOSSHXLUBRDX-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243417491 PHUXAVYEFCGHDK-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2247904429 OGPFRPLYFPEQIV-QWHCGFSZSA-N 440.293 2.035 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247921333 NIGDRPXGWONHTD-GXTWGEPZSA-N 437.371 2.475 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255655867 SAVRESQVYUCJDG-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255699102 VEUCOUNCAVFZQO-OAHLLOKOSA-N 434.346 2.055 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255815489 OIIKIIJNHXYVGA-WCQYABFASA-N 430.232 2.108 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256596481 ZKQNZDFEIJMHRU-KRWDZBQOSA-N 434.342 2.142 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 2257492246 TYCCKVFCUZNODC-MRXNPFEDSA-N 431.342 2.428 30 10 IEEE Cn1cc(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120037 DVPJCYUXOQYNJB-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167213 CMMPEOUEXDOYFB-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE Cn1cc(C(=O)NCC[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177072 IYSBCIGMXNXNQB-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267267049 URBBROFDNBIMPM-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267268799 ZIKMCQTWEXAZBW-GJZGRUSLSA-N 449.332 2.458 30 10 IEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267272600 AVXZOCJNKMLYCA-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N[C@H]3CCOC[C@@H]3OCc3ccccc3)c2)OC1(C)C 2267280887 RMTCZVJICXCFCS-SFTDATJTSA-N 438.333 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267524977 XTDZKCMKUSUVCH-SQWLQELKSA-N 446.357 2.084 30 10 IEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525343 CPCMOILMAZIHNE-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)C#Cc1ccc(Br)cc1)C1CS(=O)(=O)C1 2278739716 LAPSNQLZAWYMBW-INIZCTEOSA-N 442.331 2.308 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(Br)nnn2CCC)C1 2281276046 JRYAKIYYMCMWEK-UHFFFAOYSA-N 440.342 2.374 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2282186358 TULINCSGPIJULK-FGZHOGPDSA-N 449.360 2.106 30 10 IEEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282835448 UZSJXAIWQGDNTA-FORDYWAESA-N 441.833 2.088 30 10 IEEE COc1cc(OC)c(OC)cc1C=Nn1c(Cc2ccccc2)nnc1SCC(N)=O 2330471945 AMOLRWBIACTVDW-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2337323440 IDYXBSIIFNXWKG-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)Nc3nnc(CC)s3)n[nH]2)c1C 59831200 OKXWAZJEPMILRA-QGMBQPNBSA-N 446.566 2.395 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 106086371 BWBCEURDBACUEN-UHFFFAOYSA-N 440.456 2.499 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OC)c(O)c1 170321536 JXJMFJKWHQGDKQ-FQEVSTJZSA-N 441.436 2.397 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)c1 238831759 GBRCMSIJZYWMNZ-INIZCTEOSA-N 427.411 2.153 30 10 IEEE N#Cc1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)CC2)cc1 436071117 WTODRFLEHHNDQD-FQEVSTJZSA-N 439.537 2.364 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cc(I)ccc3O)CC2)n1 436990717 PLZUKSKVAIBTDE-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cn1 460759245 UINGGLWHRLWGKL-UHFFFAOYSA-N 440.460 2.315 30 10 IEEE COc1ccc([C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)N2CCOCC2)cc1 462102224 LKYWWYAMKNFQRO-OAQYLSRUSA-N 447.499 2.343 30 10 IEEE C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccsc2S1(=O)=O 462617399 CHEOACUQSNBMGD-BBRMVZONSA-N 431.543 2.154 30 10 IEEE CN(CCC#N)C(=O)CCN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469990879 HVFQVKZFQWMPDY-UHFFFAOYSA-N 427.332 2.279 30 10 IEEE Cc1onc(CC(=O)N[C@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)c1C#N 476774657 GANXJCYWAGFZGP-PXNSSMCTSA-N 438.484 2.197 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@H]1CCCO1 477440277 RUVZUNFVMQFOLE-ZIAGYGMSSA-N 432.567 2.277 30 10 IEEE COc1cnccc1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 481479092 PNXFCNMMBQEYLF-UHFFFAOYSA-N 426.420 2.492 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 493506770 MRDTZIVGQQWDBW-JOCHJYFZSA-N 448.523 2.031 30 10 IEEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C1 521297781 XXNVRVJPNPMKDA-WBVHZDCISA-N 438.981 2.213 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)cc1 533294564 GLBFXJISDLIYPR-KRWDZBQOSA-N 444.557 2.279 30 10 IEEE COc1c(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cnc2c1cnn2C 541427158 SKGRIPYTISMHFK-UHFFFAOYSA-N 427.468 2.359 30 10 IEEE CN(C)C(=O)COc1ccc(-c2noc(CS(=O)(=O)Cc3ccc(C#N)cc3)n2)cc1 546389837 ZRODKFBABVBDHL-UHFFFAOYSA-N 440.481 2.190 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4)n3C[C@H]3CCCO3)CC2)c1C#N 559117998 BLMFGDIPRIWGED-LJQANCHMSA-N 432.532 2.364 30 10 IEEE C=C(C)Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 563481684 TVBFVFXRDOKROC-UHFFFAOYSA-N 428.562 2.435 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCOCc1ccc(C#N)cc1)C2=O 582452142 WOPQFHRXUMCWCJ-UHFFFAOYSA-N 426.517 2.424 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 603799635 TXWQYDMXTFWKOW-LJQANCHMSA-N 449.507 2.370 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NC)cc2C1=O 607662276 BWVOXFJFDLQDPP-FQEVSTJZSA-N 430.464 2.037 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1cccc(CC)c1 735068595 JSHFLACDUJHKKD-UHFFFAOYSA-N 449.580 2.097 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 739830586 HJQTWRCJJPHHER-UHFFFAOYSA-N 440.504 2.228 30 10 IEEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 741339119 AZERIGMNCJGXLZ-RKQLKTQESA-N 441.362 2.372 30 10 IEEE N#CCOc1ccc(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 755153344 VOIMICSMEAYPMJ-UHFFFAOYSA-N 427.526 2.373 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C[C@]2(C)CCCO2)C1=O 756070454 PDQDVSUANFKKQZ-UTKZUKDTSA-N 436.553 2.394 30 10 IEEE O=C(O)C#CCNC(=O)[C@@H]1CO[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757488383 DXUHBQWDWZCCEV-DLBZAZTESA-N 448.475 2.134 30 10 IEEE CC(=O)N[C@@H]1CCCN(C(=O)CON=C(N)c2ccc(COc3ccccc3F)cc2)C1 762725272 NNRWNIVKADORBO-LJQANCHMSA-N 442.491 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 783089556 HUFCWIRWZKUCKE-UHFFFAOYSA-N 443.909 2.043 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2 786267158 MDHBPFSIEMOHBL-UHFFFAOYSA-N 427.482 2.248 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 789320686 AKCGOCXOQCRICZ-OAQYLSRUSA-N 438.528 2.100 30 10 IEEE Cn1nccc1C=Nn1c(-c2cccc(S(C)(=O)=O)c2)csc1=NC[C@@H]1CCCO1 789965819 BLMNGMMQVOVJSP-KRWDZBQOSA-N 445.570 2.316 30 10 IEEE C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 795972030 VZHSLFWLFFXLAR-LLVKDONJSA-N 436.877 2.041 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)OCC(=O)N(CC#N)c3ccccc3)CC(=O)N2C(C)(C)C)cn1 796422709 FIFJKAYRNIMSRL-NQIIRXRSSA-N 437.500 2.208 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1Cl 807941579 PKBONNRJOOKNLE-MRXNPFEDSA-N 448.936 2.278 30 10 IEEE CN(N=Cc1ccc(S(N)(=O)=O)c(Br)c1)C(=S)NCc1ccccc1 807949527 HVSMCLMYKPNECC-UHFFFAOYSA-N 441.376 2.437 30 10 IEEE CN1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@H](c2cnn(C)c2)C1 849515643 FGDHGJKGOGGQQG-VXKWHMMOSA-N 434.544 2.204 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 858071231 DVAVRHIZULBPEG-IBGZPJMESA-N 425.510 2.164 30 10 IEEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1cccc(F)c1 1084225585 IWMMLCRUBJAUKT-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE COc1ccc(NC(=O)CCSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084444532 OSXCOLVQHHTBHM-UHFFFAOYSA-N 443.537 2.345 30 10 IEEE N#C[C@H]1COCCN1C(=O)Cc1ccc(I)c(Br)c1 1126148315 GNKKIECADUOYGJ-JTQLQIEISA-N 435.059 2.347 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1128703074 DVOZZGUCEPIEAR-SFHVURJKSA-N 447.388 2.354 30 10 IEEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1132036057 UMKQTPZIQBKMKG-GOSISDBHSA-N 442.493 2.461 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1cnn(Cc3ccc(C#N)cc3)c1)C2=O 1132792835 UCOKDHYJHWWQOJ-HOTGVXAUSA-N 434.500 2.488 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3nnc4n3CCCCC4)C2)C1 1141336944 QLHLKEPXNIBIAB-BNGSBABLSA-N 442.564 2.450 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC3CCCC3)CC2)nc1 1148315126 UBIFMQSSODRDRL-OAQYLSRUSA-N 439.560 2.380 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)c1 1151004873 OAFHNHZYDARSCU-UHFFFAOYSA-N 430.530 2.217 30 10 IEEE Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884808 KPNNEZWYJRHOFC-KBXCAEBGSA-N 438.431 2.414 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1 1181745284 CFHDCVBAFGNDBP-SIKLNZKXSA-N 426.494 2.011 30 10 IEEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1191155594 HQRSAFBWTWYQQW-VXKWHMMOSA-N 440.569 2.155 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1ccc(Br)cc1)c1nccn1C 1192764168 FEROMEMHXDJXRB-DOMZBBRYSA-N 426.340 2.198 30 10 IEEE C#CC[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1197701345 GSFQETCVURAKLF-GOSISDBHSA-N 432.590 2.211 30 10 IEEE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(c4snc(C)c4C#N)CC3)C2)cc1 1230857986 GUPIPZKNHIHFKG-MRXNPFEDSA-N 426.546 2.442 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286329879 WVBBTUWKMGHSPL-UHFFFAOYSA-N 438.507 2.332 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286390485 AJBBJCMCEBXICX-RTBURBONSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1 1286396270 CZHCJIGQKXOOBF-IBGZPJMESA-N 438.963 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CN(C)C1=O 1286403460 KFDCBAMWULVIID-HXUWFJFHSA-N 444.308 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCCC1 1286431206 MXDHRYNGXAJXSR-FQEVSTJZSA-N 447.605 2.044 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2C(F)(F)F)CC1 1286470383 YGEPHOXHJUGBMZ-UHFFFAOYSA-N 448.493 2.433 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1286489834 FUSVHBLKYLTORM-GOSISDBHSA-N 444.539 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccn(CC)c2=O)CC1 1286495330 YVCFFRXURDTNPG-UHFFFAOYSA-N 438.576 2.062 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286566888 KAISYPREGRYURX-MGPUTAFESA-N 439.582 2.408 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)CCOC 1286592430 DVPHPTNBXVAAIH-KRWDZBQOSA-N 439.557 2.262 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1286620275 IDVXKYRODVAMTG-INIZCTEOSA-N 446.987 2.497 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1286732204 MPHJYAKCAHMMHZ-XYJFISCASA-N 425.599 2.494 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1286792195 QDQBINHMQUUKML-UHFFFAOYSA-N 426.565 2.388 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1286797811 BPWFTPNOZAUPEK-QGZVFWFLSA-N 448.568 2.065 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](COC)C1 1286834065 YXBWGGZADWKOQI-GOSISDBHSA-N 428.562 2.287 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1289031880 GSEROJJPJWGFHY-ZPHPHTNESA-N 439.520 2.193 30 10 IEEE C=CC1(CC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CN(C(=O)OC(C)(C)C)C1 1290379440 OTGKNCLGABVWJR-UHFFFAOYSA-N 431.489 2.341 30 10 IEEE Cc1nnc(N(C)Cc2ccc(OC(F)F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1290720925 PUORWXLMCOEFEW-ISLYRVAYSA-N 432.431 2.351 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1292704354 UYJNXKQFOGGOBE-MJGOQNOKSA-N 445.568 2.156 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccnc3[nH]c(O)nc23)CC1 1293136209 DJKINLKTSSVNOT-HNNXBMFYSA-N 441.289 2.449 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1300364996 PMQRRXHBRLBTMG-KRWDZBQOSA-N 433.603 2.372 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1300603643 VKGUUMYBYYMKDE-HSZRJFAPSA-N 435.532 2.327 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1300643239 ZMICHZWRKXCGAT-CALCHBBNSA-N 446.552 2.351 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN(C(C)=O)C1 1300673660 UGAUDJKIYJJKEP-GOSISDBHSA-N 445.514 2.492 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)CC2)n1 1300685285 NWJJRHVMAAKGFA-UHFFFAOYSA-N 448.531 2.367 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOCC1 1301268031 FMNMWHCDAFPWTF-UHFFFAOYSA-N 432.956 2.206 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@@H]1C 1301356575 BQWUQSNTRBBMKO-KRWDZBQOSA-N 432.594 2.391 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1301463578 ZTIIXYYKXZMZSM-UHFFFAOYSA-N 437.592 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1301577628 RHMLLMCTLYEDPV-UHFFFAOYSA-N 447.952 2.119 30 10 IEEE CC(=O)Nc1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1301787625 FPIFJPRVHHOLOZ-SFHVURJKSA-N 435.463 2.138 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1oc2ccccc2c1OC 1301806277 AVAGMLRAKZBYOJ-MRXNPFEDSA-N 438.488 2.399 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(C#N)CC1 1302138846 CJIYSXIFSNLCGD-GOSISDBHSA-N 426.521 2.381 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCO[C@H]2CCOC2)c1 1302983426 ZAIYQMJKUJQIJY-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccc[nH]3)n2CCOCC(F)F)CC1 1303001009 XPULOFXYOZZKMI-UHFFFAOYSA-N 428.447 2.148 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1303492298 CZZGXTWEBUCBJO-YADHBBJMSA-N 433.553 2.254 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1303642031 UDBQCZJERGUTEH-ANNUQZOISA-N 437.479 2.273 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1305327956 NYJKYAMFDCYRSB-SBUREZEXSA-N 449.563 2.069 30 10 IEEE CC(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1309461463 FINAHCZWUKULHO-FQEVSTJZSA-N 440.525 2.232 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1315919270 VXNJNQAPVZVRHB-LEWJYISDSA-N 441.532 2.131 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc(-c3cnccn3)n2CCCCCCO)CC1 1316533644 YMUPIUYRUWQVHF-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358885922 UJTGQKTVDAAPTE-FHWLQOOXSA-N 436.539 2.453 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1358946116 JLEBXMNEDBUOKQ-HSZRJFAPSA-N 438.532 2.093 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCO[C@@H]1C 1358968921 CCCQTZZADLOYNZ-XLNZFTOWSA-N 438.528 2.430 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccco1 1359002597 GESSIUVOROAHJT-NRFANRHFSA-N 428.514 2.309 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1359068352 XGEQJVIOCJGHLB-OAQYLSRUSA-N 430.530 2.143 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359091119 JGAYXLBXPCQZQA-RQXXJAGISA-N 449.552 2.014 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1359132362 VOVKQXOMVFAKGN-WOJBJXKFSA-N 441.532 2.408 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCOC1 1359281011 LUBBVNDUANVGHS-UHFFFAOYSA-N 436.516 2.178 30 10 IEEE Cc1csc(C[C@@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1455894029 YYKMHAUSMMHHCZ-HNNXBMFYSA-N 432.571 2.361 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1456587220 JZRDSQKFQLJUMI-QFIPXVFZSA-N 432.521 2.087 30 10 IEEE N#Cc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cn3)CCCC2)cc1 1458249335 XWDGXYPAMDDLCJ-UHFFFAOYSA-N 440.525 2.425 30 10 IEEE C#Cc1cccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)c1 1460890244 OQNLACZZBWARRK-UHFFFAOYSA-N 429.221 2.178 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1464904393 BOYMUGNKYXTWPS-CADBVGFASA-N 435.565 2.330 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CCCCC1 1470830455 XUMGIMFICZUWHV-UHFFFAOYSA-N 426.489 2.455 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H](O)C1 1503603440 OHGAMWIVTNFISP-IEBWSBKVSA-N 431.562 2.239 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C 1503891882 YTQHNXHIUBKMMP-HNNXBMFYSA-N 448.531 2.492 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1504174597 AKEDECRSEYOEBG-JOCHJYFZSA-N 436.472 2.177 30 10 IEEE COc1ccc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1F 1504252137 UDLWWOCLKBCUCP-VZCXRCSSSA-N 440.479 2.466 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1504283522 ZUOWEJNSUKNVDA-SIKLNZKXSA-N 427.505 2.104 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1505046922 BSFXJOAWJPSFFJ-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](OC)c1ccccc1 1505082358 QDYCRVDPOZUZGQ-MUGJNUQGSA-N 427.505 2.119 30 10 IEEE CS[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1505163573 BTFMINGPLDGHJT-RBZFPXEDSA-N 427.509 2.385 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1507581082 QNXNNVXYWOQNLW-UHFFFAOYSA-N 431.924 2.316 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1C 1507620706 JPJVJFQQPLHOAU-UHFFFAOYSA-N 429.572 2.464 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1507633099 BBMYOYADCHRGKL-SFHVURJKSA-N 440.525 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1=CCCOC1 1507653739 TUUNKTGGPKDZSC-UHFFFAOYSA-N 442.523 2.485 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)[C@H](C)CC 1507712912 SSGWHUNQRHLEEO-MWTRTKDXSA-N 438.532 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1507719737 ALQHIMQFCGLESA-SFHVURJKSA-N 429.590 2.140 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507789535 DNSDWTFNWKHENB-CVEARBPZSA-N 448.369 2.011 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1507845063 WCWOLFAREGHZJZ-OAHLLOKOSA-N 439.969 2.458 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507849163 SLIMPYXYLVQYCS-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1508021576 XIIZOVCDAPWAKM-KRWDZBQOSA-N 426.546 2.130 30 10 IEEE Cc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NC(C)C 1511250360 IIMWIZPTZVOUPJ-UHFFFAOYSA-N 431.500 2.313 30 10 IEEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)C1CC1 1519521387 JYXLOWDUDNOQJH-MAUKXSAKSA-N 433.509 2.273 30 10 IEEE COc1ccc2c(c1)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1536598704 KGSKIVPVVFALFP-MOPGFXCFSA-N 434.452 2.412 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(SCCN3CCCCC3)cc2)C1=O 1537224478 FAAFZEPTLNLJGR-UHFFFAOYSA-N 430.530 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1538973808 QEZUCBDNYIWSMQ-IAGOWNOFSA-N 429.496 2.264 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS(=O)(=O)CC1 1539093640 BHLWTGSOPOFPGE-KRWDZBQOSA-N 432.546 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1539295521 BWVOMNXGCBPXNM-OAHLLOKOSA-N 449.964 2.062 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1539505883 FHHYWFILROCMGO-GOSISDBHSA-N 429.590 2.477 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539743566 KYJMSASROYUWQE-MRXNPFEDSA-N 438.454 2.438 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539779264 RXXQNBIQXNOJOT-INIZCTEOSA-N 428.965 2.338 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccnc1C 1540064574 YYSUKKWNOHSMGY-UHFFFAOYSA-N 426.550 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540866672 WCWHVODXHVOWFP-LSDHHAIUSA-N 435.843 2.154 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccncc1Cl 1541926193 OJJJYBGOLMAFEM-CYBMUJFWSA-N 437.957 2.115 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1 1544446671 CSGMPKUAZKCOBG-IBGZPJMESA-N 427.526 2.073 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2CCOCC2)s1 1544891429 BTZWWAGDFWAXCJ-UHFFFAOYSA-N 435.571 2.226 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nncn1CC 1545834918 FUVAEDAGGPPWQY-UHFFFAOYSA-N 435.536 2.364 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)CC1 1547728745 QGVYXNKZYFJNTB-SIKLNZKXSA-N 437.592 2.315 30 10 IEEE COC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555346064 INYTYHGBVQJLFP-YGCDDZCOSA-N 440.504 2.236 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)CC1 1555994670 JVRPVQYMHMUMGP-UHFFFAOYSA-N 444.580 2.477 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)cc2C1=O 1556064550 HHANMMRROUCCHH-SFHVURJKSA-N 433.464 2.318 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 1556455869 XKQYZTUNFFPJGA-LJQANCHMSA-N 428.533 2.487 30 10 IEEE C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1564382658 IFAPSDQEOVHKJC-PLQHRBFRSA-N 444.326 2.099 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[C@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 1564940011 IAPGEYMPIQGMGE-DLBZAZTESA-N 445.568 2.125 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)o1 1584011964 DCRVSTWNJULEMB-JOCHJYFZSA-N 447.536 2.213 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCSCCCO 1588093677 MKVPOVLKWOCFHW-UHFFFAOYSA-N 436.379 2.235 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(OC)nc1OC 1589151206 UOQDOHBUEORBBY-OPAMFIHVSA-N 429.521 2.455 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1589427616 SFXCGNAJCVBSGW-LLVKDONJSA-N 425.356 2.209 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1593695673 HLFGFWGAJZKGDM-UHFFFAOYSA-N 426.521 2.066 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594533700 FJNOUYLHJCCFCK-SJORKVTESA-N 430.553 2.499 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1595171427 VJQKAELQWLKJRD-LEWJYISDSA-N 430.597 2.497 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1595595110 SCUVNKRXKCSUHD-UHFFFAOYSA-N 432.956 2.092 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595890523 XMYSPNJSJPJINQ-SFHVURJKSA-N 442.589 2.353 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1596282120 CUAJJPHCWUGQAQ-XMMPIXPASA-N 446.559 2.111 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1611668823 ACJDSFFNLATQBU-FQEVSTJZSA-N 427.567 2.055 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1615901364 FGHQTOONFFUSGB-UHFFFAOYSA-N 437.548 2.184 30 10 IEEE CCN(CC)C(=O)CN1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1616209494 AGKHDJDVJNVHJG-UHFFFAOYSA-N 435.366 2.266 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCC1)C1CC1 1620163623 FMMUGXBOUVBOCX-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(Cl)cc1F 1636567602 VAWMMSFXJXKGFS-KRWDZBQOSA-N 427.871 2.362 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 1637775575 TYOVTLNSXUVUTB-CYBMUJFWSA-N 448.453 2.320 30 10 IEEE C=CC[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC 1638326079 KPQOBFKUNPHRHJ-OAHLLOKOSA-N 443.541 2.372 30 10 IEEE COC(=O)C1=NOC2(CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)C1 1638448542 VBGXQOVQGHVOBS-HNNXBMFYSA-N 436.509 2.274 30 10 IEEE CN1CC[C@H](CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1639645415 PPOHLWJXAFRRHC-OXJNMPFZSA-N 426.517 2.377 30 10 IEEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)c1 1642511671 LBEFRUZMMVGCKQ-UHFFFAOYSA-N 434.905 2.402 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)OC)cc1 1644513821 QCNBTZSQHHHCOZ-NRFANRHFSA-N 434.489 2.194 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 1644587464 MAUYIDPNCFUHOF-MOPGFXCFSA-N 427.505 2.392 30 10 IEEE N#C[C@@]12CN(Cc3ccc(I)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1648416007 RRKJXQDAGGMKDW-FZMZJTMJSA-N 436.702 2.315 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC1CCSCC1 1648441198 HDBYQHYODNCFGS-QGZVFWFLSA-N 439.603 2.312 30 10 IEEE C=CCN(CC=C)[C@@H](CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1654982899 KXVCAMSFAWBHBK-SFHVURJKSA-N 430.615 2.072 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)ccc2OCCOCC)CC1 1663850333 YZLSPLYLMQZFAI-UHFFFAOYSA-N 446.363 2.403 30 10 IEEE C=CCN(C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1667075907 KBBHLNADLZEIMY-MRXNPFEDSA-N 441.550 2.161 30 10 IEEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc1 1679256645 CHWHTZLQUIOIJQ-NRFANRHFSA-N 441.557 2.471 30 10 IEEE CCOC(=O)C[C@@H](C)CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1679743566 RQDKBHIDBZKIGA-CQSZACIVSA-N 430.484 2.286 30 10 IEEE CC(C)(C#N)CNC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1681276356 AUMGNCXAHXRQJH-IRXDYDNUSA-N 448.568 2.113 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1)C1CCOCC1 1684037364 XZZOMLOHXKMUPX-GHTZIAJQSA-N 427.545 2.299 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689985798 BTRUTYNVGJHLBL-FQEVSTJZSA-N 439.585 2.142 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1ccn(C)n1 1690057534 BCUJDILTQSZPGM-UHFFFAOYSA-N 425.924 2.297 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C)n1 1690109397 PUUHKPVNGYJCNW-OAQYLSRUSA-N 447.543 2.069 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2COCCO2)CC1 1690114865 JREGXUVONZULFT-IBGZPJMESA-N 447.486 2.107 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2ccccn2)CC1 1690115219 XGYWXSKZDCNMGR-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCC2)CC1 1690188941 QOEMZTGIVRBNHV-ICSRJNTNSA-N 433.622 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](C)C1 1690723661 XVZHUPZXTFUQGX-OAHLLOKOSA-N 435.550 2.233 30 10 IEEE C=CCSCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1690752845 SQZNHKJSOYMLCI-NQIIRXRSSA-N 448.593 2.161 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br 1693748829 SDZFAPYYFIHELU-LLVKDONJSA-N 439.264 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)C1CC1 1705575763 WJBAGOFYSHOLKS-UHFFFAOYSA-N 444.308 2.446 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(OC)c(Br)c2)CC1 1705643049 QRRYRRVLPDJBRC-UHFFFAOYSA-N 448.365 2.389 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1 1705686570 CJFOSJWKYUQKOI-UHFFFAOYSA-N 429.326 2.309 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705734509 RJPOXXJMGFMSSP-QGZVFWFLSA-N 440.552 2.451 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3Cc3c(C)noc3C)CC2)c1C#N 1707807612 HHSGHEMEYGJLPS-UHFFFAOYSA-N 437.552 2.370 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1709403920 IXBYWCKDBMMXCC-PLNGDYQASA-N 438.532 2.426 30 10 IEEE CCC[C@H](Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1709521675 SPRQWNPMDXQPJB-MIZPHKNDSA-N 446.596 2.310 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1712380762 YQUVKUMIKAFXJC-FQEVSTJZSA-N 440.548 2.460 30 10 IEEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1712580146 MLWMJVAJZLASJE-QGZVFWFLSA-N 426.521 2.326 30 10 IEEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2CCCCn2cc(Br)cn2)CCO1 1712883956 CUKJBWULTQAJJF-MRXNPFEDSA-N 434.342 2.399 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1722306496 KLMNHIDZALLSDB-UHFFFAOYSA-N 435.532 2.320 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ncccc1F 1722387395 KXBWCNOHAKGBJE-UHFFFAOYSA-N 433.447 2.001 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)COCC2 1722428187 WYVNGKVBDMZASP-UHFFFAOYSA-N 434.544 2.347 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722694736 GGEKBGZXEXYLMQ-IRXDYDNUSA-N 442.564 2.183 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1722740474 OVTLRZZJGXRWGN-AWEZNQCLSA-N 441.561 2.331 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740626476 VBYNGQZYSBQICU-HXUWFJFHSA-N 439.516 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C2CC2)CC1 1740642077 REGKPFXVAGHXJC-UHFFFAOYSA-N 436.585 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 1740653831 ZLBLRMRTHWIPID-OAQYLSRUSA-N 427.512 2.141 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)OC(C)(C)C)CC1 1740697238 WTQWMSJEKFSAOQ-UHFFFAOYSA-N 442.539 2.288 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(C)COCCO2)CC1 1740704204 LVZYKGJVFMDWJC-DEOSSOPVSA-N 437.544 2.025 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ncc(CC)s2)CC1 1740707797 PZNMVGJSHXSJGU-UHFFFAOYSA-N 430.578 2.042 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740730157 TVDTUMHAIDPZRG-ZMPRRUGASA-N 430.553 2.382 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740958036 HJKBVWOWKCHXPL-HZPDHXFCSA-N 432.550 2.165 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1740962058 REDGTWRJDWLLJQ-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@]1(OCC)CCOC1 1740965885 UJMKYKQBLQTQAE-QFIPXVFZSA-N 447.486 2.073 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1741285660 WAOWSBHZSNVNKL-GOSISDBHSA-N 437.548 2.071 30 10 IEEE CCCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1745534831 MUKVJPPEOVOARB-IIBYNOLFSA-N 427.484 2.293 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1748732127 TYGMXHUUCQEZLP-UHFFFAOYSA-N 442.951 2.237 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817320 ISRWRYQTWFOSDR-XXGTVTCJSA-N 426.542 2.122 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOC2=O)cc1 1748869286 AFIKVZMPVFWCMH-OAQYLSRUSA-N 444.467 2.150 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2F)CC1 1748979110 WNEAUMRGJMMODO-HSZRJFAPSA-N 445.514 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC2(C)C)CC1 1749001682 YOLKYVSIHPYTOQ-KRWDZBQOSA-N 428.581 2.208 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1749067965 ZEDOMRRBJFFMLK-SIKLNZKXSA-N 443.573 2.490 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749211182 VLXLGDTZJUZQAN-FQEVSTJZSA-N 430.597 2.419 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)C(=O)C1 1749215956 HHJHNFCSMXGIMZ-UHFFFAOYSA-N 426.477 2.257 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749677646 GSHNTBBXQMWSOP-UXHICEINSA-N 438.576 2.449 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(CC)[C@@H](C)C1 1749680372 KGZBECAGPTXYTO-SFHVURJKSA-N 426.565 2.252 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCCOCC(F)F)c1 1750382034 OUWZOZGDGMKFLV-KRWDZBQOSA-N 430.459 2.300 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1C 1751190583 DGWNMHKYNCKDHL-JTDSTZFVSA-N 446.577 2.069 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760188773 MRFQVIUKPWTQCR-UYAOXDASSA-N 444.605 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1760207558 NYAGIHKZAGIUDJ-HXUWFJFHSA-N 425.496 2.261 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccccc2)CCOCC1 1760217634 IMBWCYXDXYVBLU-NRFANRHFSA-N 431.540 2.441 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760235948 BUGZHBAPVITSJE-GOSISDBHSA-N 435.981 2.406 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC1 1760253641 HZVKLGSOIYWTTA-UHFFFAOYSA-N 426.956 2.270 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1760299041 FFUUOWFRTAWPBR-WIYYLYMNSA-N 429.546 2.100 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1760434010 XXPDMSAADABRKE-XWSJACJDSA-N 436.626 2.165 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1761257988 DCWXJSOPFBPJND-UHFFFAOYSA-N 437.548 2.036 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CC(F)(F)CO3)CC2)c1C#N 1762403295 QXLXWFDJCZFHET-MRXNPFEDSA-N 448.522 2.141 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(C)cn1 1766089405 APQDZJFONSPSCZ-SFHVURJKSA-N 437.504 2.190 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770790904 DFWLPEGHQOTXGW-ROUUACIJSA-N 429.500 2.097 30 10 IEEE CN1C(=O)/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1cccc(C(=O)O)c1 1772735980 GRAJFCVPNODDNB-RCURVCCKSA-N 437.433 2.420 30 10 IEEE Cn1nc(C(=O)ON2C(=O)c3ccccc3C2=O)c2c1CCN(C(=O)OC(C)(C)C)C2 1772787808 RCYILYWZTIEZJG-UHFFFAOYSA-N 426.429 2.081 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1c1ccc(C#N)cc1 1849734975 JBLTYOYOFFBPAR-UXHICEINSA-N 429.542 2.317 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)c3[nH]nc(C(F)(F)F)c3Br)CO2)nc1 1851165848 RKPRSFBIYKROAU-MRVPVSSYSA-N 432.156 2.435 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1C#N 1851416497 DXBUMVAEKQELJC-ZIAGYGMSSA-N 425.411 2.005 30 10 IEEE CN(C)C(=O)[C@@H]1C[C@H](OC(=O)c2cnc3c(c2)c(C#N)cn3C)CN1C(=O)OC(C)(C)C 1852150973 UKSUQVXNEIWOOQ-RDJZCZTQSA-N 441.488 2.068 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC(=O)N(C)C1)c1ccc(Br)cc1F 1853187364 XLEYDAIYOXHXDG-JTQLQIEISA-N 429.315 2.274 30 10 IEEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)C(=O)C12CCCC2 1853683486 FVXMCXPPYREFRV-QGZVFWFLSA-N 430.574 2.457 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncn1C 1854527378 LIJIMTSQJFKHOM-MRXNPFEDSA-N 428.514 2.269 30 10 IEEE COc1ccc(C)cc1S(=O)(=O)N1C[C@@H](OC(=O)CCc2ccc(C#N)cc2)CO1 1855467664 ZLNBNLNPQSIHOM-GOSISDBHSA-N 430.482 2.356 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(=O)O)cc1 1862739611 CCQQVWPJIQVVNN-PIGZYNQJSA-N 426.381 2.252 30 10 IEEE COC(=O)COc1cn(CCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870265616 QMIVJWXNONBWBB-UHFFFAOYSA-N 431.514 2.267 30 10 IEEE CCc1sc(C2=C(N)N(CCCNC=O)CC2=O)nc1-c1ccc(OC)c(OC)c1 1872724797 SBFLESJDVHVTQW-UHFFFAOYSA-N 430.530 2.038 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 1872919371 ZGZNHJKFDGNFJY-AWEZNQCLSA-N 434.880 2.142 30 10 IEEE CN(CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)Cc1ccccc1 1891455066 NNTMMMDTKVYUBY-NRFANRHFSA-N 443.544 2.230 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2060634951 FVNVAZRNQQJABX-UHFFFAOYSA-N 432.326 2.154 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247904260 NPLCLMDUOWJJPK-MOPGFXCFSA-N 437.367 2.468 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247907023 UOQRYDSOURRBBU-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255697045 CNBHDOWOFQOOKH-OAHLLOKOSA-N 433.358 2.311 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2255698486 QJBSHZHQMFTDPD-HZPDHXFCSA-N 433.358 2.500 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CC[C@H]3OCc3ccccc3)c2)OC1(C)C 2255745655 PAYLVXAPVOPOBF-WOJBJXKFSA-N 444.362 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256725628 YNISTPLTDSKEDA-ZMOMAAQPSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267145106 DRHBZSTYYPHYSO-XYPHTWIQSA-N 446.357 2.227 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267145909 JSDVZAAHIYLHNT-LPHOPBHVSA-N 438.381 2.421 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177177 KJVXWQUNOFUXMA-CABCVRRESA-N 448.373 2.143 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267501620 AHTUKIZGZIRGBS-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267504185 OROQPCZKFPQLLR-CABCVRRESA-N 448.373 2.095 30 10 IEEE CCc1nn(C)c(C(=O)N2CC(N(C)Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267505086 CPNNSBFERJPGCB-UHFFFAOYSA-N 438.381 2.238 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267512366 GAPOECLUXAWOEI-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267517550 VFLYTPHMFXVXQJ-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278783940 MYDOTTMUBSNQOC-MAUKXSAKSA-N 443.363 2.210 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@]3(CO)C2)cn1 2297648662 IUBXPNLJCNJNFI-OXJNMPFZSA-N 433.434 2.272 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](O)C1 2322292376 BISYSEDLAPELIN-HZPDHXFCSA-N 437.321 2.302 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)[nH]1 2337024160 LSFVDLOFOFPKMG-SFHVURJKSA-N 446.401 2.074 30 10 IEEE CCOc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925083 JNWMFWCFUPQENN-QGZVFWFLSA-N 442.541 2.290 30 10 IEEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 71530733 ITAQQBSYBCTULR-HNNXBMFYSA-N 426.535 2.248 30 10 IEEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccncc2)C(=O)C(=O)N1CCCN1CCOCC1 102543764 VEYXOCNRPUAVSS-SADKCHQCSA-N 437.496 2.234 30 10 IEEE Cc1cccc2c(=O)n(CC(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cnc12 109889194 IOOHODKJKNVDJX-SFHVURJKSA-N 433.493 2.117 30 10 IEEE O=C(Oc1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1)c1ccc(F)cc1 169884381 YQJVQJYJTZKGON-BUVRLJJBSA-N 430.505 2.175 30 10 IEEE Cn1c(NN=Cc2ccnc3ccccc23)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 254736581 OWLKJEQZOWIRRX-UHFFFAOYSA-N 439.479 2.476 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CC2 432503602 WWGBJGIBNFPJBN-QFIPXVFZSA-N 434.540 2.298 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)C1=O 438597265 LAXNGFWMUMGQCM-QGZVFWFLSA-N 432.480 2.405 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)sc1Cl 473905010 MDNDJJYNUKKLBD-UHFFFAOYSA-N 445.975 2.277 30 10 IEEE COc1ccc([C@@H](CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)NC(C)=O)cc1 504144989 RHUCOZHCSURDPO-FCHUYYIVSA-N 434.496 2.446 30 10 IEEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508810333 CHIXGGLJLJKKDP-UHFFFAOYSA-N 449.540 2.217 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Br)n2CC=C)CC1 508954721 BJBVROKRWAIIKL-UHFFFAOYSA-N 445.365 2.318 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccc(F)c(Cl)c3)n(C)c2=O)c1 538497472 WJZSTROUPRNKDN-UHFFFAOYSA-N 443.887 2.337 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CCN(c4ccccc4F)C3=O)CC2)o1 549717878 ZNBHOVRDJYSFQR-LJQANCHMSA-N 425.464 2.474 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 555248167 LGUHLZUTERBRSK-OAQYLSRUSA-N 436.560 2.275 30 10 IEEE Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1Cc1cccs1 555378443 XGBVGXZNMSNVHF-UHFFFAOYSA-N 428.543 2.079 30 10 IEEE COc1ccc(CN2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)c(OC)c1OC 557476677 CNOFBWBFXLBSGI-UHFFFAOYSA-N 427.461 2.397 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)c2cccc(OC)c2)nc1C 586353700 XGWKSLDEYHPQQI-LJAQVGFWSA-N 436.511 2.373 30 10 IEEE C[C@@H]1CN(c2ccc(NC(=O)CN3CCN(c4ncccc4C#N)CC3)cc2)C[C@@H](C)O1 725795720 JQNHVANHPNLCFD-RTBURBONSA-N 434.544 2.328 30 10 IEEE COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)cn1 730140795 HRNBWELYHXLWHY-GOSISDBHSA-N 441.557 2.290 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Oc2ccc(F)cc2)nc1 732446768 WILOBMLWWQQZEU-VXPUYCOJSA-N 425.420 2.339 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732650479 SRYVOQNTRHISDZ-HNNXBMFYSA-N 433.306 2.297 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 732795566 NHIXQASSJYVVHF-KRWDZBQOSA-N 442.585 2.375 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)O[C@@H]3CCN(c4sccc4C#N)C3=O)c2C)nn1 751638589 UGMKRPUGYTYYLS-OAHLLOKOSA-N 438.469 2.265 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)cc1 780922465 RKLJUBPMJLDSHA-RXVVDRJESA-N 427.526 2.117 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1 783865664 GIVFNYOBJNFXAP-FUICEZJUSA-N 438.509 2.464 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 788581524 WWSUAOOTYAKJTR-DABWLCNRSA-N 447.561 2.024 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CC(N2CCCCC2)C1 794211161 OVSNZELYRHHXFW-UHFFFAOYSA-N 432.590 2.419 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CC2(S(C)(=O)=O)CCCC2)C1=O 795172613 LTGYCDKZMIKHTD-MRXNPFEDSA-N 437.587 2.420 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 803923564 RDPZPPCCBHCYRR-UHFFFAOYSA-N 444.484 2.247 30 10 IEEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cc(F)ccc1N1CCC(O)CC1 804162839 UVVFTAKPHGJGND-CQSZACIVSA-N 442.466 2.291 30 10 IEEE COc1ccc(CNC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 805224323 UZGXBESQRGEYRY-IBGZPJMESA-N 443.548 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc(C#N)ccn2)C1 807168326 GWYDJAUKCMGAHO-PKOBYXMFSA-N 441.532 2.321 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(C(=O)OC(C)(C)C)CCOCC1 1131627293 MZJJBPQAUWRALV-UHFFFAOYSA-N 427.505 2.158 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 1132097874 AACIOGBVCPUBPL-KRWDZBQOSA-N 426.542 2.261 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H]1CCOC[C@H]1OC 1133127214 MFMDRBOJLITOSA-GOEBONIOSA-N 427.295 2.361 30 10 IEEE COc1ccc(C(=O)Nc2cnc(OC)c(C#N)c2)cc1S(=O)(=O)NC1CCCC1 1134070440 DHIKCKDNKBNVAE-UHFFFAOYSA-N 430.486 2.444 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccnc3c2CC(=O)N3)cc1 1136331619 FKRMXGYVXIELOY-BWAHOGKJSA-N 441.513 2.422 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 1136566472 NKNMOJMOKGQGBZ-UHFFFAOYSA-N 429.542 2.051 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1137745153 YPUHRWNISXVSOI-DHZHZOJOSA-N 425.460 2.200 30 10 IEEE N#Cc1c[nH]c2cc(C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)ccc12 1141675550 QQQQUQWGRJOEEQ-UHFFFAOYSA-N 438.509 2.132 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 1176146670 VVPVPIPGJOBAKY-INIZCTEOSA-N 431.418 2.449 30 10 IEEE C#CC1(O)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cc(Br)ccc2OC)C1 1179982069 BCFSCOLSSKTMOX-OAHLLOKOSA-N 439.306 2.230 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC(C)(C)CC[C@H]3O)nnc12 1184109362 SRMYDJONMHIDHZ-NVXWUHKLSA-N 441.557 2.378 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(I)cc1 1192214361 IPNLAFXSWCBQSU-UHFFFAOYSA-N 435.283 2.257 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCS(=O)(=O)C[C@@H]2C)cc1 1198034214 TWHVAOOSLXYCRK-HNNXBMFYSA-N 444.557 2.422 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)F 1254534416 BEJZZZHPANRFIJ-AWEZNQCLSA-N 445.467 2.012 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(C(C)(C)C)c1Br 1266191299 ZMGPKIGUCZUYLI-LBPRGKRZSA-N 432.326 2.413 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286322381 BRSSFQAOWHBKTR-RTBURBONSA-N 434.548 2.352 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1286607600 SJDSOMLVQLYHEJ-UHFFFAOYSA-N 427.553 2.253 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nncn2C)CC1 1286637062 SMSLRUVNYIACEO-UHFFFAOYSA-N 426.912 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286785471 LLTOHWQHZIOUCB-UHFFFAOYSA-N 439.470 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)CCOC 1300274663 YBZWXBHVFXMIPL-QVKFZJNVSA-N 433.940 2.107 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(S(N)(=O)=O)cc1 1300286929 QACYUABIGCENJL-CQSZACIVSA-N 444.948 2.342 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300485003 SVILMOKFSNXUJL-ROUUACIJSA-N 438.594 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CCC 1300578739 OCFKHOCLZGXUQV-XMMPIXPASA-N 435.576 2.466 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC(O)CC1 1300598019 YQDBAGQHEDTURZ-UHFFFAOYSA-N 438.576 2.454 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1300696007 QZPDTKUUCHAQLT-OYRHEFFESA-N 436.608 2.248 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300982178 CKUSQYBLZRIAGU-UHFFFAOYSA-N 433.578 2.303 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301531871 ZTZMVIAHULHGHY-QHCPKHFHSA-N 438.532 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCC2)C1 1301544487 XRMSVGLEUOVLBV-QGZVFWFLSA-N 432.546 2.045 30 10 IEEE COCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1301610121 NISCOHCVSKAIMY-UHFFFAOYSA-N 443.552 2.104 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1303751190 HSKOOFMRAJFIRO-IIBYNOLFSA-N 445.568 2.443 30 10 IEEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1304489802 BJYRFWHCNCCQEM-KRWDZBQOSA-N 444.582 2.404 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1310374416 PMLLRSDUQBECDU-HNNXBMFYSA-N 446.479 2.179 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC[C@H]1C 1315718465 PDDVJGAUKZRCOG-SZVBFZGTSA-N 429.546 2.113 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)C1 1316249766 AXKZIBSLWOLSPJ-JPYJTQIMSA-N 425.533 2.467 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC(=O)N2)C1 1316527660 NNRBOOCDPLBDPR-KDOFPFPSSA-N 433.285 2.428 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(=O)NCC(F)F)c1 1358900048 AALIYFWEJMFFPK-UHFFFAOYSA-N 432.475 2.013 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1358932401 JJCCIDSLWVBNBJ-MRXNPFEDSA-N 447.572 2.424 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960801 MCNRBMUPXYMMFI-QYZOEREBSA-N 444.605 2.020 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(COC)cc2)CC1 1359038485 YBXVIFAXUSUUPH-UHFFFAOYSA-N 433.560 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C/C=C\c2ccccc2)CC1 1359044030 SCGTVSZNJIHTIM-YFHOEESVSA-N 429.528 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N(CC)CC)CC1 1359044177 YGTLFGRCYFULDL-LJQANCHMSA-N 437.592 2.345 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](COC)C1 1359130086 YAYSPNUZRCWIAV-GOSISDBHSA-N 438.536 2.376 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccc(C)o1 1359294022 IEKSMNZJGBLVJK-UHFFFAOYSA-N 443.529 2.189 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC[C@H]1C 1359294290 PNCDFSRCPWCIJQ-HZPDHXFCSA-N 431.562 2.276 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCCC2)C1 1359304533 AGVIHEHZVQDAGW-UHFFFAOYSA-N 441.532 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359331571 CVCITFGHYOGAGL-KRWDZBQOSA-N 437.610 2.135 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1ccc(Br)cc1)c1cc[nH]n1 1441503634 YVUKBMODUDRJGV-GFCCVEGCSA-N 437.294 2.203 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)c1 1453630802 GUMDTBMDDBLMBQ-UHFFFAOYSA-N 438.546 2.097 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1454493877 JEASCUZDYIMHJK-NRFANRHFSA-N 433.512 2.463 30 10 IEEE C=CC1(CC(=O)NC2(C(=O)N3CCOCC3)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1457158621 UYAXLZIQCRSNMG-UHFFFAOYSA-N 435.565 2.478 30 10 IEEE N#Cc1cncc(CN2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)c1 1459514991 WZEYJYRDQOGISA-UHFFFAOYSA-N 449.374 2.307 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1463736195 UNABBRDKACOSBG-SMOSDQRPSA-N 442.603 2.365 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1471388957 YXIDGYDYRXEPCE-UHFFFAOYSA-N 426.395 2.418 30 10 IEEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(C)C[C@H](O)c1cccc(C#N)c1 1473620376 HHLWFDWBEWEXBB-DVECYGJZSA-N 436.556 2.061 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCCN1CCCO 1503132097 RTYUSLXRDMSGAQ-FSSWDIPSSA-N 438.576 2.405 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1507661506 XNWSHNKRSWMOPN-VWLOTQADSA-N 449.555 2.190 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCOC1=O 1507670447 LYQNZBMVGIWTEA-UHFFFAOYSA-N 427.455 2.452 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1507700841 XMSOLXHHWVOBFA-IYBDPMFKSA-N 432.569 2.281 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1507761319 LXBWITJFXUIROY-PLISZXCSSA-N 432.565 2.241 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)CC1 1507805468 JPHMZQCKNUFDLH-ICSRJNTNSA-N 443.552 2.009 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)CC1 1507807543 RLCOKYZLUHNKNK-NJAFHUGGSA-N 425.599 2.496 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507840573 RKYNUQKNTIRGNR-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1507848480 YEZFOHUTZUSSEI-LSDHHAIUSA-N 431.459 2.149 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC 1508040541 ZBNKHQGXUKZGSH-IRXDYDNUSA-N 439.557 2.260 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1508093589 CNXXXTARSSIPIU-YADARESESA-N 439.560 2.140 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)CC3CCCC3)CC2)nnc1C(C)(C)C 1508097276 HDFOUPMCPBKEGK-UHFFFAOYSA-N 430.597 2.497 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC(F)F)C1 1508126251 HDKXJSFYFXSMCH-HDMKZQKVSA-N 441.523 2.359 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)CC[C@H]1C 1508131681 OWXVAQMGKXBETO-HZPDHXFCSA-N 432.550 2.151 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1508410924 HCSYZINCNZXCBH-AWEZNQCLSA-N 437.953 2.134 30 10 IEEE CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1509091222 FBMITZCLWVWCPF-OTWHNJEPSA-N 435.594 2.371 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC[C@@H]1C 1518611899 NBWPUIACUJDPDQ-MAUKXSAKSA-N 429.546 2.255 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C[C@@H]1O 1520622266 LABUXGUQFXIEFV-KUHUBIRLSA-N 441.513 2.069 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 1521128935 HKRGZCWHYWNAEH-CYBMUJFWSA-N 433.394 2.495 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1526638230 BMOGJTXLEQSZQP-KKSFZXQISA-N 435.590 2.203 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1533086656 QOZRYWMXQYZZAW-MRXNPFEDSA-N 443.978 2.221 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)C(=O)OCC 1535345093 PISZNOTZKWVKHU-OAHLLOKOSA-N 432.901 2.414 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)n(C)c1 1538555944 MLQIFTLKKKONNM-HXUWFJFHSA-N 430.530 2.141 30 10 IEEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539117202 RUYNTQLNIIRZTA-UHFFFAOYSA-N 425.537 2.406 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC(C)C)c1ccccc1OC 1539178843 KOCULTNQOGQGPX-XLIONFOSSA-N 446.573 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1539232636 KTAHDQIMNAAQNE-RUZDIDTESA-N 444.539 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCCCC1=O 1539252100 YMRAPJBKFYKYJO-UHFFFAOYSA-N 435.528 2.438 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1539430780 OCLYTZPNHNHQRD-PMOQBDJRSA-N 431.581 2.033 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539436505 VARNYVNSKHBJAT-SFHVURJKSA-N 444.942 2.408 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N(C)C2CC2)CC1 1539451898 DLUJUCZJLKYBOS-QGZVFWFLSA-N 428.531 2.385 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1539505366 WEGGVDHIJQMSBD-LJQANCHMSA-N 438.561 2.148 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1539666928 CCKNNVVRSSASPH-GOSISDBHSA-N 433.578 2.465 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539926979 YRHMBHFSCQQYRL-SFHVURJKSA-N 449.625 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1540864876 NXTOZPNNLCREPH-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C#N 1540897908 VJKBHZUDKGTHKS-OAHLLOKOSA-N 444.561 2.344 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C/CN2CCOCC2)cc1 1542161418 BNXGYPCHCGAETI-BIOYOWRNSA-N 434.562 2.107 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)C[C@@H]1C 1547718993 FJQXAYSPNXNBOW-KRWDZBQOSA-N 439.564 2.031 30 10 IEEE COCCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1555514277 SHVJBUCHAPIKKV-XDOYNYLZSA-N 447.499 2.102 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)s1 1557261069 LPYUPVPAORJHIF-GOSISDBHSA-N 442.603 2.391 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1566543572 GFQRYUHKCIFJHC-CABCVRRESA-N 449.943 2.197 30 10 IEEE C=CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1587497677 DHNPXQCZMBKMSR-HUUCEWRRSA-N 430.954 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(CC)CC 1587620321 CGHBUQLKNDWHET-KRWDZBQOSA-N 449.559 2.299 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1587783744 WGRZVUXMXYHWLY-UHFFFAOYSA-N 449.607 2.389 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)on1 1588275920 CMLCVOMQRDKDNB-UHFFFAOYSA-N 427.534 2.351 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O 1588574386 GRKJLSVCAFNBAL-AOMKIAJQSA-N 429.496 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1588593464 ALDFYEFHYYVGCA-UHFFFAOYSA-N 446.573 2.397 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)cc2)cc1 1589083725 XIXFADULUFKNPJ-JOCHJYFZSA-N 438.553 2.396 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1589088893 LMVOGUYTOVILJH-SFHVURJKSA-N 426.590 2.323 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1589427326 IBXYSLDWYXHIPL-UHFFFAOYSA-N 441.337 2.289 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1593746440 FHDMCMHXPXSUDV-QGZVFWFLSA-N 449.533 2.318 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1594962907 NWHFTJQDOWMPCA-QGZVFWFLSA-N 434.562 2.452 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC=CCO1 1595108588 DHRURBKNMHMZMZ-IEBWSBKVSA-N 431.562 2.426 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)C1 1611774934 ONGWEYHYBMNKLY-SFHVURJKSA-N 444.293 2.250 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)C1 1617240711 FWVBRFPAYJBJOW-IBGZPJMESA-N 436.520 2.108 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1617258807 JFTXMTFUQTUCRX-SFHVURJKSA-N 433.534 2.436 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ncc(Br)cn3)CC2=O)cc1Cl 1618434660 SOQKDBOYNTVPJM-NSHDSACASA-N 434.681 2.433 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C 1620311661 GZQHSCJFGAOWNT-OPAMFIHVSA-N 445.568 2.444 30 10 IEEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCOCC2)CC1 1620352915 AZPFDIUOLXWYRA-UHFFFAOYSA-N 444.486 2.136 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCSCC(F)(F)F)CCN1C1CC1 1620356336 WYWVUVQQUHOODZ-HIFRSBDPSA-N 430.500 2.254 30 10 IEEE C=CCN([C@@H](C)COC)S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1622345462 SZZQWRNTUATXNU-KRWDZBQOSA-N 430.592 2.381 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1ccccn1 1625004484 YBZMRFIWIUUEPW-QYSXUHOCSA-N 428.489 2.199 30 10 IEEE N#C[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1ccc(Br)cc1 1625197526 QMGGLYYFCMXDEA-HNNXBMFYSA-N 441.282 2.029 30 10 IEEE CCOc1ccc(N2C(=O)c3ccc(C(=O)N(CC#N)CCC(=O)OC)cc3C2=O)cc1 1632394626 PRIMARMVFIYUJS-UHFFFAOYSA-N 435.436 2.415 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1637518318 AXGKSXULMHJJOX-SJORKVTESA-N 441.594 2.244 30 10 IEEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@](C)(O)c1ccccc1 1639714909 RWICGQLPOVQYDL-GAJHUEQPSA-N 441.553 2.371 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C(C)(C)O)CC3)nnc12 1641806043 MUIVKTCBUGTJDV-UHFFFAOYSA-N 441.557 2.332 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 1643889191 SHFFQWQVZKFNTG-NQIIRXRSSA-N 448.445 2.227 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](C(F)F)CC1 1648600594 RCLFVIMIPUTGLO-HNNXBMFYSA-N 429.489 2.168 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)O1 1649588189 DFIKHZDBYISXJU-DNVFCKCGSA-N 438.532 2.116 30 10 IEEE COc1ccc(CN2CCCN(C(=O)CN3CCc4c(sc(N)c4C#N)C3)CC2)cc1 1655797139 LFAQDLMSPMAEFF-UHFFFAOYSA-N 439.585 2.303 30 10 IEEE COC1(c2noc(CC3CCN(CC(=O)N(CCC#N)CCC#N)CC3)n2)CCCC1 1659520447 PEIXFDWOWIUHLO-UHFFFAOYSA-N 428.537 2.396 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)C1CCOCC1 1665156796 VRHCVSTUHCCQSJ-QGZVFWFLSA-N 432.464 2.004 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)CCOCC1 1666221614 HBOIRJNISVLRCI-UHFFFAOYSA-N 430.320 2.015 30 10 IEEE C=CCN(C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)[C@H]1CCS(=O)(=O)C1 1675137944 QXDBBFHXRGBTBR-NSHDSACASA-N 433.408 2.243 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1 1675945830 YTHXHRGWDOPGMM-UHFFFAOYSA-N 447.586 2.191 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCCC(=O)N(C)Cc2ccccc2Br)C1 1678703574 QLLBFIDFGAPMBE-KRWDZBQOSA-N 435.366 2.194 30 10 IEEE C#C[C@H](NC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1)[C@@H]1CCCO1 1681815992 BRPWCUCDHZDGSB-HOTGVXAUSA-N 437.290 2.321 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1689931521 ABKNWGXPRIAFIW-IBGZPJMESA-N 430.530 2.217 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690224217 GWOHIGIVRDIVSO-HNNXBMFYSA-N 430.310 2.351 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690663693 DAKWQNLDIULBQC-UHFFFAOYSA-N 436.560 2.305 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(OC)CC1 1690665792 PULRTUPTNBCURG-HSZRJFAPSA-N 441.532 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCOCCCO)C1 1691282093 FDLHVPIVTIGRSJ-HDICACEKSA-N 448.568 2.188 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1692271553 HMWJFBRLGPTNIW-PGRDOPGGSA-N 443.573 2.239 30 10 IEEE Cc1nccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1693378340 FCVDRSAIORIFII-QHCPKHFHSA-N 447.547 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705485834 QAWDWBXRAYYHHC-IRXDYDNUSA-N 438.557 2.233 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1nccnc1C 1705629126 YAMBXLXBYOZABN-OAQYLSRUSA-N 434.500 2.218 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1705655033 BJGFANKMTRGAOT-OAHLLOKOSA-N 429.546 2.030 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1705663957 HKYOAQOEKJELKH-UHFFFAOYSA-N 443.621 2.390 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1705665065 JHIXFEAYWXADMZ-WIYYLYMNSA-N 432.546 2.468 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1705704848 ZVAPHBHXNIRTNE-QFBILLFUSA-N 434.562 2.416 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705827322 ASFQBNWFAOIQGN-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC(C)(C)O 1706626151 DCFLEODUPOODOH-SFHVURJKSA-N 426.521 2.027 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccsc2)N(C)C)n1 1707832429 BRHJHYSQFGOGJX-MOPGFXCFSA-N 440.577 2.233 30 10 IEEE Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1707936978 IFQUEFJXMUFFMR-KRWDZBQOSA-N 426.502 2.093 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1708650660 JDZYLALITRRKCL-HOIFWPIMSA-N 439.495 2.250 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](COC(C)C)C2)n1Cc1ccc(C#N)o1 1708761589 YKGUYBZCAILPQK-IBGZPJMESA-N 444.536 2.340 30 10 IEEE CCOCCCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710794969 GFGSSEIYDBIBRC-UHFFFAOYSA-N 449.563 2.397 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCS(=O)(=O)N(C)C 1722347354 GKWWLSMRIPGSSJ-UHFFFAOYSA-N 443.529 2.078 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722374595 YANLKMMWQMMBSY-MBSDFSHPSA-N 445.564 2.258 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCC(=O)NC1CC1 1722376365 MWHROIQGXUPSHW-UHFFFAOYSA-N 443.349 2.178 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@H]2CCOC2)CC1 1722440696 CEENTHJFPLILAV-IBGZPJMESA-N 425.533 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)c2ncc(C)s2)CC1 1722450369 FWYFDQTWZMNYRG-OAHLLOKOSA-N 430.578 2.349 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722464609 LPTAZHUHNAAGMP-ZIAGYGMSSA-N 431.484 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722507709 IYEOORLOHWPXQK-NNIGNNQHSA-N 440.610 2.411 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722511201 XRMRNXVBLRJSLC-GHTZIAJQSA-N 445.589 2.259 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C3OCCO3)c2)CC1 1722559618 COGWSHROGPOOTQ-INIZCTEOSA-N 447.561 2.138 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCO[C@H]2C2CC2)CC1 1722574322 KHZQXPPYCYUTNB-XERREHJYSA-N 437.610 2.496 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703621 DLBACDULSXLFGD-OAGGEKHMSA-N 431.541 2.089 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1(F)CCC1 1729064946 FVAPOJKZTOURAX-UHFFFAOYSA-N 430.532 2.337 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1729482385 GOOXMUKBZLNYHG-FQEVSTJZSA-N 437.592 2.315 30 10 IEEE CO[C@@H](CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1729855874 PKTLITRMHIIZJJ-WBVHZDCISA-N 437.470 2.428 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1730723748 HLVLXMHLMUKVFH-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OCC)c1ccccc1 1740639035 ROQUPNMLSCCDCJ-UXHICEINSA-N 426.542 2.031 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccn(C)n1 1740647576 VZAXCECNDFDELH-UHFFFAOYSA-N 426.322 2.291 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCC(=O)N(CC)CC)CC1 1740696926 LDXQUDMESVFZAG-UHFFFAOYSA-N 440.567 2.412 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740874428 BRPRHFPVWZOUJR-UHFFFAOYSA-N 425.522 2.408 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CCC2)C1 1740973393 XATASUIJIUIVQC-XHEIURJNSA-N 438.594 2.013 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C#N)c1 1741711014 CIQYFXXPIKCZKZ-UHFFFAOYSA-N 439.545 2.176 30 10 IEEE CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1745908586 YXBPNMSJCHFUKZ-OALUTQOASA-N 428.562 2.477 30 10 IEEE CCN(CC)CCOCCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1746186066 MRVROSWJSIORTB-UHFFFAOYSA-N 427.553 2.295 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccc(C)cc2)CCOC1 1746733054 DUSIZOOXMLMDJQ-NZQKXSOJSA-N 441.532 2.437 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)on1 1748680041 NHDKLETVKKVPIY-LJQANCHMSA-N 433.560 2.445 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1748690174 NPDVOUANRPLKOI-FPHYPCCHSA-N 447.580 2.437 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748811336 DXYKARLKHIMRPE-RTBURBONSA-N 443.573 2.316 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnc(C)s1 1748831369 MSYSVCCDBWSLNG-UHFFFAOYSA-N 425.539 2.235 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccsc1)N(C)C 1748842621 PAFUKJFLKKOBCO-GOSISDBHSA-N 436.541 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCN(CC)CC1 1748882543 WONOQMHIPIZMON-FQEVSTJZSA-N 449.559 2.342 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCS(=O)(=O)CC1 1748901975 DHLMKKFCCXZEII-WOJBJXKFSA-N 446.617 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ncn(-c3ccccc3)n2)CC1 1749004471 JQGJSRMPSFZYGE-SFHVURJKSA-N 446.559 2.386 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1749053865 MZMURPHSWCFOEM-AXNOTKAXSA-N 435.594 2.086 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1749054212 PRXHQPQZZKJXGF-OPAMFIHVSA-N 436.520 2.381 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749367577 MVWUSAHETNNUEO-ROUUACIJSA-N 446.502 2.494 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749378369 XNIDBYGANKLRTQ-QXAKKESOSA-N 428.512 2.386 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1749670612 UKKRMPLYEZALTB-QWQRMKEZSA-N 428.364 2.494 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1749685867 MRRQGDOOGJOFQT-RBUKOAKNSA-N 425.533 2.358 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750855843 GJUFDSTYHRKJHA-NXDJFEHLSA-N 430.553 2.353 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)CCCO2 1751213730 SLTPCMXBNGDIDU-HNNXBMFYSA-N 444.561 2.002 30 10 IEEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCCN1CCC[C@@H]1CO 1751923633 QWHBMPZAPRNPNH-JOCHJYFZSA-N 437.592 2.412 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2csc(CC)n2)CC1 1760272020 WDXBEHPIJNPWSF-UHFFFAOYSA-N 449.584 2.297 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760365495 ZXTQTOVIQVBRFE-XOBRGWDASA-N 436.944 2.370 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760525571 KHAAOTGOHWYHFB-KRWDZBQOSA-N 440.577 2.183 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCCO[C@H](C)C1 1760527573 AVJMNLWAJYKAJN-MRXNPFEDSA-N 431.562 2.496 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1761359972 CUIYSFVELHWTCM-UYAOXDASSA-N 432.532 2.374 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)C1 1761542293 HSZHEXVFRGSYCQ-XMMPIXPASA-N 449.559 2.351 30 10 IEEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1761617936 FGARLDYHHUYBHX-UHFFFAOYSA-N 437.529 2.077 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2(O)CCOCC2)n1 1762415418 FMYGTTQFIBIGNQ-UHFFFAOYSA-N 435.532 2.189 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1764909900 GILWIBIIIUYBTQ-INIZCTEOSA-N 448.980 2.127 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2cnn(C)c2)c2ccccc2c1=O 1765578504 GTTIMIBUFNOJSM-OAHLLOKOSA-N 431.504 2.053 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)N(C)C 1767342142 RSLDZFPGZGABLP-IBGZPJMESA-N 430.578 2.028 30 10 IEEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1)C(F)(F)F 1768066052 GBIQJYQGWLBDHA-RDTXWAMCSA-N 428.459 2.498 30 10 IEEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1771032435 FVXHNPIRGCOESS-UHFFFAOYSA-N 429.488 2.313 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1771374329 DLRLEBJGQOVVPU-GOSISDBHSA-N 428.562 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)OC(C)(C)C1 1772660051 AAHKPBFBXAJUGJ-HNNXBMFYSA-N 448.545 2.278 30 10 IEEE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)N4CCOCC4)c(C)c32)cc1 1772748868 ORULTPOVBQBJGB-UHFFFAOYSA-N 431.514 2.388 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)CC(=O)Nc3ccc(Br)cc3)CO2)nc1 1851215277 OAOKMLPJKRRUEM-HNNXBMFYSA-N 431.246 2.408 30 10 IEEE Cc1cc(C)c(C#N)c(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)n1 1851329506 AHZHZWURJDUXBM-UHFFFAOYSA-N 447.474 2.325 30 10 IEEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2c(C#N)cnn2-c2cccc(C)c2C)CC1 1851858468 XBBNTPQQSRROLB-UHFFFAOYSA-N 437.500 2.491 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)cc1 1853553076 WEYPCMVKEUIRFI-SFHVURJKSA-N 449.511 2.296 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)cc1C 1854020655 KEBJBEVBLMTMPK-UHFFFAOYSA-N 425.510 2.167 30 10 IEEE Cc1cc(OC(C)C)ccc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCC2 1854211610 SRURNGHNQUBBCM-UHFFFAOYSA-N 433.530 2.368 30 10 IEEE Cc1ccc(Oc2cccc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)c2)cc1 1854637716 XQFXJQQMPAFMPQ-MRXNPFEDSA-N 427.482 2.314 30 10 IEEE COc1ccccc1CC(=O)N1C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c2ccccc21 1857084479 JVFYSZVIDGCQQQ-HNNXBMFYSA-N 427.482 2.107 30 10 IEEE COc1cccc(CC(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)CC#N)c3ccccc32)c1 1857467575 KEHOFGJXBLXFGK-HNNXBMFYSA-N 427.482 2.249 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862642633 GVMHBEMCISBXSI-SFHVURJKSA-N 446.387 2.409 30 10 IEEE COc1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F 1870097340 IUVDXRBICDFVQY-UHFFFAOYSA-N 432.393 2.055 30 10 IEEE C=CCOc1cn(CCN(C)C)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870386913 JHVKBDSORQFWAS-UHFFFAOYSA-N 441.532 2.205 30 10 IEEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871004606 OMJQLJCKBMEKAP-UHFFFAOYSA-N 437.521 2.477 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3nn(C)c4ccccc34)CC2)CC1 1889497369 SABCYRSWGSOKOT-UHFFFAOYSA-N 437.588 2.224 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2023957359 FWPGONSVOSHLEF-INIZCTEOSA-N 439.553 2.029 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 2060818968 WEYWYWWSXZUEKU-PMACEKPBSA-N 438.532 2.222 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677596 HSYAQASODRBJDK-RHSMWYFYSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247832993 YWQNLMONULWDMQ-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE COC[C@@H](CNC(=O)OC(C)(C)C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248576608 GKRMAKCAOZHJCM-CQSZACIVSA-N 426.294 2.438 30 10 IEEE COc1cc(C(=O)NOCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255626151 BONVVLKWPSHYAP-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628160 DPUXREQTNPAQPN-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255654402 WJRAMSBEZAXWPM-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CCC[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255695100 BCXCTDQVCVYKBP-AWEZNQCLSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255808495 KHFBEJNNQVSEFZ-UHFFFAOYSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2255838336 DQJPOJRWMSPIAU-IHRRRGAJSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256599879 YYAUBTOVMDQZAK-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267093888 YTYBNFZZQWHROW-ZIAGYGMSSA-N 448.373 2.330 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2267184008 KCPNNXVLPQRBCL-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267270218 KENTUXBVMPRWHI-NXHRZFHOSA-N 443.353 2.366 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267285244 IGWJRDNBGPHCMK-WOJBJXKFSA-N 438.333 2.304 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H](C)CN1C(=O)OC(C)(C)C 2267495439 MBQYNMKQDQNCOP-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE Cc1nn(C)c(C(=O)NCc2cnn(Cc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2267510706 PQGOQOUPAVYCSA-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE COCC1(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267577455 DURYTIGHCNXXFM-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2267606349 WNQTVHILMAEXTQ-AEFFLSMTSA-N 440.353 2.228 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268640146 FPHCLLFYPFOVDQ-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268705967 INCSPOLODHLYFU-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE CCC(C)(C)N(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270526187 JTOQINVLPRWVIM-INIZCTEOSA-N 425.507 2.100 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)c(OC)c1 2296618948 XJIBWJJCYQBYAE-HXUWFJFHSA-N 442.468 2.051 30 10 IEEE CC(C=Cc1ccccc1)=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)COC(C)C 2297551171 QLASWBIWAKJUKD-QGZVFWFLSA-N 440.504 2.123 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2329045112 CIPWYALKNDDQQU-INIZCTEOSA-N 431.518 2.057 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(OC)c(O)c(OC)c1 2330935583 LPTGTGHIZMWIBM-AWEZNQCLSA-N 449.533 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3C[C@@H]4[C@H](C3)[C@@H]4B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2331229051 LTRXKVAXWIMWMD-ARAZSQDJSA-N 448.369 2.419 30 10 IEEE C=CCSc1nnc(COC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331592307 SLZYVUUEHCGUJI-UHFFFAOYSA-N 447.561 2.304 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337193154 BWSTVJOHVTZFKJ-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1nccc1C#C[C@@H](NN)c1ccc(I)c(Br)c1 2342014348 XHMIZURDONPBOL-CYBMUJFWSA-N 431.075 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2ccc(C#N)c(Br)c2)C1 2379813148 HFLIEOVETLOMKZ-MRXNPFEDSA-N 435.322 2.492 30 10 IEEE C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)ccc2c1=O 4004691 FFXDOMADDBLLKK-UHFFFAOYSA-N 432.480 2.041 30 10 IEEE CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 169523156 POPFMWWJOGLOIF-SMNOJSTNSA-N 436.520 2.499 30 10 IEEE C#CCn1c(=NC(=O)CSCC(=O)Nc2cc(C)on2)sc2cc(OC)ccc21 254351044 QPTSNPRSYUNLPL-UHFFFAOYSA-N 430.511 2.440 30 10 IEEE CC(C)(C)OC(=O)N(CCc1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCNC1 396445820 DQXPETXOBXCDMU-INIZCTEOSA-N 432.374 2.307 30 10 IEEE COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)CC1(C#N)CC1 463869845 SPYIWSHSKZTBMM-CQSZACIVSA-N 440.319 2.238 30 10 IEEE CO[C@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 469970802 DEVPAGVPSKOGAB-MRXNPFEDSA-N 433.452 2.043 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCc2c(Cl)cccc2C1 474658557 NSIFPHOKUYXFBV-OAHLLOKOSA-N 446.960 2.053 30 10 IEEE N#Cc1ccc(OCc2ccc(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)o2)cc1 477846494 HXJSWBAKINAJAI-UHFFFAOYSA-N 436.512 2.404 30 10 IEEE C[C@@](O)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 481330950 FDMNCVCBJATZTH-JOCHJYFZSA-N 433.574 2.406 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 482239432 FDQIFGUFCBITRQ-INIZCTEOSA-N 438.509 2.292 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cnc(C)c(C#N)c1 489065761 BYXNVDFEPOKKHM-UHFFFAOYSA-N 434.543 2.044 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCCO4)c2=O)o1 522109170 MJYAXTFBNSZCNT-UHFFFAOYSA-N 448.500 2.444 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 523257908 PHAGKIIVTOSNHO-YOEHRIQHSA-N 441.509 2.115 30 10 IEEE COc1ccnc(N2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)n1 532570980 JQEAAXXFGVQYDR-MRXNPFEDSA-N 426.546 2.498 30 10 IEEE C=CCNC(=O)CNC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 540757333 PCPXNYYMVHKHCW-LJQANCHMSA-N 437.468 2.059 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1-n1ccc(C)n1 543274211 NTCGQJCZKYXAIJ-UHFFFAOYSA-N 433.468 2.333 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 555264261 VREVJWUHJUDQOH-UHFFFAOYSA-N 447.547 2.336 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]2C(=O)Nc2nccs2)CC1 561228063 MWTZYWFECMMOLJ-JKSUJKDBSA-N 444.586 2.017 30 10 IEEE N#Cc1cc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)ccn1 610956726 XCRYKYNJDAALCR-UHFFFAOYSA-N 427.530 2.186 30 10 IEEE CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726402467 RHCGVTUUMJZARU-MRXNPFEDSA-N 432.546 2.201 30 10 IEEE C#CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)[C@H]1CCS(=O)(=O)C1 729331271 APSOXMFHOCLMND-HNNXBMFYSA-N 428.539 2.112 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2sccc2C)cn1 730143422 BMSNUQXHHCLRCZ-INIZCTEOSA-N 448.618 2.473 30 10 IEEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730715920 RSISNUVKWMLUSP-GOSISDBHSA-N 429.546 2.491 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1F 732013107 PDCHFOZRWIEVGX-CQSZACIVSA-N 427.498 2.029 30 10 IEEE CNC(=O)c1cncc(/C=C/C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1 732410190 YTXAWVGOGUPXLA-ZNFPLGDCSA-N 436.468 2.342 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CCN1C1CC1 734694307 URWKDXVGYHFKIP-GEFUHLBYSA-N 436.537 2.132 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(C[C@@H]3CCCO3)c2=O)cn1 735069644 YPQMZHOFQRHCCP-SFHVURJKSA-N 442.585 2.204 30 10 IEEE C#CCN(C(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 743746300 HWGNWQXNQUKKOM-MOPGFXCFSA-N 434.558 2.161 30 10 IEEE COC(=O)[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1)c1cccc(C#N)c1 751643773 SYBUYVIRHLCJES-HXUWFJFHSA-N 430.482 2.253 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 757914779 GIQYGZQFHUNHAG-LSTDLKDCSA-N 446.621 2.339 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)cn1 760130271 VCDGAJVEDZLDCP-UHFFFAOYSA-N 428.378 2.305 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cc1OC 760789170 KNAMPDMLZFPWOS-MRXNPFEDSA-N 426.535 2.260 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CCN1C1CC1 765795124 LJCRORTXNDAXGK-AWEZNQCLSA-N 426.214 2.012 30 10 IEEE C[C@@H]1C(=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)CC(=O)N1C(=O)OC(C)(C)C 766433673 HKPRJEAVFWLNHA-CYBMUJFWSA-N 437.522 2.190 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 776136693 BQHRUJFCEBTEEM-XAGMJWQQSA-N 437.422 2.110 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)c1OC 777104424 YRPYPZHJYTYSJF-QGZVFWFLSA-N 439.516 2.478 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CC[C@H]2CCOC2)cn1 784123515 DRFAZPCYQCQVID-HOCLYGCPSA-N 443.533 2.080 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 790854727 XCLDPEJUESAVLV-ZLGUVYLKSA-N 442.578 2.185 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cn(CC(=O)OC)c3ccccc23)cc1 794920352 KNCFICSZWOFUKP-UHFFFAOYSA-N 443.481 2.303 30 10 IEEE N#Cc1cc(C(=O)NS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)ccn1 796805522 ADFUKDFGJHDTFX-UHFFFAOYSA-N 449.286 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)NCC2CCC(C#N)CC2)(S(C)(=O)=O)CC1 803359785 LXDAYVDKXBJTDZ-UHFFFAOYSA-N 427.567 2.247 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 803525367 OCWVBPBGSDJTRP-FQEVSTJZSA-N 427.526 2.016 30 10 IEEE Cc1cc(S(N)(=O)=O)cc(NC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1C 803923372 LZWHOQSCCQDZCO-UHFFFAOYSA-N 445.472 2.175 30 10 IEEE Cc1cc(C#N)nc(N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 804578738 QJGBHTDJSYUGPX-WMZOPIPTSA-N 428.537 2.389 30 10 IEEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccccc2)n1 807930314 IQEBAVSKJGBMKK-ZDUSSCGKSA-N 426.424 2.015 30 10 IEEE C#C[C@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(Cl)cc1 811962922 CRMMEWKPIZOFQH-UGSOOPFHSA-N 448.932 2.249 30 10 IEEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 811963016 FEXXKKOAVWVFAE-KRWDZBQOSA-N 436.877 2.200 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 812177425 GNSSUXPBHRRBEP-AOMKIAJQSA-N 448.568 2.125 30 10 IEEE C=C(C)Cn1c(-c2ccc(C)cc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1122419205 GCMYCUXJDRQJFS-UHFFFAOYSA-N 438.576 2.119 30 10 IEEE CCS(=O)(=O)N1CCC(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1127858560 GDWRVDCWTWMUKD-KRWDZBQOSA-N 444.598 2.142 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)n1 1128570704 QXRVJBUMODHQKN-HXUWFJFHSA-N 432.528 2.321 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1143719773 GHHDCSWOQJOYAC-WOJBJXKFSA-N 427.549 2.146 30 10 IEEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1160098031 UKRLVELNYGVNGP-UHFFFAOYSA-N 443.363 2.346 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 1175515065 QIVDREFQVNNNKZ-UHFFFAOYSA-N 447.944 2.144 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccccc2OCC(F)(F)F)c1=O 1189869099 PDRYSRODMNZBFW-UHFFFAOYSA-N 439.390 2.213 30 10 IEEE COc1ccc(-c2csc(NC(=O)[C@@H](C)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1198070734 DJEUOYPPAYJURE-AFBRZQFHSA-N 446.554 2.016 30 10 IEEE C#C[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1)C1CCOCC1 1231331223 ICTIMNQFCUWPCY-DLBZAZTESA-N 425.407 2.196 30 10 IEEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(O)nc1=O 1248605954 CXIIZOOSEDVSIS-UHFFFAOYSA-N 444.923 2.261 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1286350269 YFRGXYWZXOZCEN-GOSISDBHSA-N 428.558 2.082 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)[C@@H](C)CC 1286362947 LFXUTLGGBIMTNI-INIZCTEOSA-N 431.610 2.346 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)Cc2ccccc2C1 1286415370 JXJDZTWWDMFDQT-UHFFFAOYSA-N 441.583 2.312 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286700333 ZNHNBFQGADLLLL-KDURUIRLSA-N 427.553 2.268 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286700614 JTBGEUZVELQCFQ-BBWFWOEESA-N 430.553 2.499 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1286727626 VTTQHYUMHLWAAJ-SFHVURJKSA-N 435.550 2.084 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286780560 OPDHQYIOXGULOS-FPOVZHCZSA-N 438.576 2.475 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 1286780818 ILYPSDMXNFOYSW-UHFFFAOYSA-N 436.507 2.124 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286786478 TULJZBBUZGYMLP-UHFFFAOYSA-N 428.562 2.226 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(OCCN(C)C)c1 1288078612 BIIYHTXRMSALNQ-UHFFFAOYSA-N 439.564 2.145 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)cc1C 1289742543 BRNDJPBZSNOHMK-MISYRCLQSA-N 438.532 2.427 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)OC 1291410658 ADFNCZOVRWJNRO-YLJYHZDGSA-N 440.548 2.173 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)C1 1299032035 DDVYUQNZEBQFFT-WMZHIEFXSA-N 438.532 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1300270821 FMDCCNYEUFOXDC-JKSUJKDBSA-N 446.577 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1300310748 ZELVMKOQDHRYNN-ZIAGYGMSSA-N 446.964 2.227 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1300403464 MBGMLFAIXQMJRS-KRWDZBQOSA-N 447.543 2.100 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300412496 BBGLDXFVVUVOPP-NZQKXSOJSA-N 449.603 2.056 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300497558 ZYQMXONZMUSIKB-ZWKOTPCHSA-N 436.578 2.106 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300498306 IWCMJILLEPJJMN-LJQANCHMSA-N 441.582 2.309 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300630589 WVNGEYRRTTUYGC-IBGZPJMESA-N 431.548 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C 1300871438 BWTDYZYBLLFSAX-QGTPRVQTSA-N 437.566 2.407 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301508710 RLDBZHWYHVEGIE-IBGZPJMESA-N 427.553 2.107 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCCCC1 1302092349 IOPJKANUZHDAEE-PZJWPPBQSA-N 445.612 2.055 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccccc1F 1302095232 UBAPZAQIBQUPOF-QFBILLFUSA-N 428.512 2.366 30 10 IEEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(F)(F)F 1302339567 ZBWFUCDBAKCORY-AWEZNQCLSA-N 449.437 2.353 30 10 IEEE CC(C)N(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1303268287 DFRNUYNIMMZQRP-HNNXBMFYSA-N 436.358 2.115 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)C1 1303949089 ADFPEKHUDUMFTC-UTKZUKDTSA-N 426.546 2.326 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)c1occc1C 1306153449 LBPBCAFRQJKNJZ-UHFFFAOYSA-N 435.488 2.097 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@@H](COC)OC 1309194751 UIEYPFKZJNGNGF-GDBMZVCRSA-N 432.336 2.199 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OCC)ccc2Br)C1 1309843799 KYTZVUVFQFGDOR-CQSZACIVSA-N 429.336 2.002 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cc1 1311996842 CHRPTCXEQXKLLE-UHFFFAOYSA-N 426.561 2.222 30 10 IEEE COc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 1315518965 FNMXSIJESACHMX-BRWVUGGUSA-N 447.561 2.395 30 10 IEEE COCCOCc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cc1 1316250147 NUJBYKLPMRMVPO-QFIPXVFZSA-N 439.495 2.332 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)c1c(C)noc1C 1316297265 JBGZINKMDPKDCQ-KUZCPNRJSA-N 430.509 2.139 30 10 IEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)CC1 1316535847 DBCXENFKSLAPIJ-UHFFFAOYSA-N 444.580 2.364 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(C(=O)C(F)(F)F)CC3)C2=O)cc1 1320526868 IBUOOSSINBJPRU-OAHLLOKOSA-N 436.390 2.133 30 10 IEEE C#CCN(C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1347514833 MPTSEBOKCHCMTG-LQCXBHPOSA-N 429.586 2.404 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCN(Cc3ccccc3)C2)c1 1355997001 MTVHTHUWBGRRBT-HSZRJFAPSA-N 431.536 2.382 30 10 IEEE Cc1oc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1S(C)(=O)=O 1357483974 LHAHHLICAFTDES-JZJYNLBNSA-N 439.515 2.057 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccn(C3CCOCC3)n2)c1 1357485113 XPRILSAMTVNRNP-NMWGTECJSA-N 431.518 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1358874187 UIWQDODDHZQTRD-YYDVJCTNSA-N 441.580 2.179 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H]1C 1358940433 XIQPBTRVXXGZCX-MRXNPFEDSA-N 429.594 2.100 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC(F)(F)C1 1359019400 UJHJEDGAPPMLQG-JKSUJKDBSA-N 447.552 2.190 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCOC)CC1 1359098032 WTWPFFBWWFWCTO-YLJYHZDGSA-N 430.553 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359297661 XTCBAYRUDKMHJT-IBGZPJMESA-N 426.565 2.103 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCCC2)C1 1359325070 XKEKYXZVAFWEKZ-PMACEKPBSA-N 430.597 2.302 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1360798809 PSXNSFSPXHPIIA-IAGOWNOFSA-N 444.923 2.154 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)ncc1C#N 1450858476 OQHCVZGWSFWPPG-QGZVFWFLSA-N 425.493 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1455477589 WILWOPUUVHOUHJ-OPAMFIHVSA-N 429.521 2.064 30 10 IEEE COC(=O)[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCCCCC1 1456100713 HMPJWFBCWDQWOD-GOSISDBHSA-N 435.546 2.286 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1466827404 MQXVBXTUZWJMOA-UHFFFAOYSA-N 430.461 2.288 30 10 IEEE CC(C)(C)c1coc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1471560351 ZSPBYSKPWKIBSA-UHFFFAOYSA-N 431.518 2.060 30 10 IEEE N#Cc1cc(C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)cnc1C(F)(F)F 1472030290 RNXDYVKDFHAQHU-UHFFFAOYSA-N 430.452 2.392 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCn2c(O)nc3ccccc32)n1 1492734177 DJJNXJXLLRSPGE-OAHLLOKOSA-N 433.520 2.491 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC1CCCC1 1499140652 GNGRCDPUMRLVEF-UHFFFAOYSA-N 426.569 2.430 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1503378625 DSUNAGSHOWXNRF-PMACEKPBSA-N 442.589 2.170 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1503402563 DKGQLAIKBBYQGV-UHFFFAOYSA-N 433.516 2.058 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1503480828 AFLBBCOLHYLBQV-IDYLYPCZSA-N 440.479 2.432 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1503863773 QJZCGPVIZSPUSN-IBGZPJMESA-N 436.516 2.122 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1504971134 BEXJZGVSQWWTRF-KSFYIVLOSA-N 426.521 2.279 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507580625 CMYLIMVODZZZQN-QGZVFWFLSA-N 428.537 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)CC1 1507807548 RLCOKYZLUHNKNK-NXHRZFHOSA-N 425.599 2.496 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1508103079 DXCCLFJPLRTRAL-QGZVFWFLSA-N 435.532 2.384 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)C(C)C)C1 1508127513 VKILCHZAOCBHPR-XLIONFOSSA-N 441.532 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCCC2)C1 1508132777 ZSOQIKSWVFFMJQ-MRXNPFEDSA-N 431.562 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@H](C)C1 1508135813 MMFXODCHHXTYAU-CQSZACIVSA-N 425.942 2.210 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2CCOC2)CC1 1508137315 MJFRIYNTVXQUKB-GOSISDBHSA-N 433.578 2.137 30 10 IEEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCCO2)CC1 1510294720 RAEIMBWZHMCRKX-GOSISDBHSA-N 430.553 2.116 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC(C)(C)O1 1512501663 UWPHSUSNZASYRI-FFZOFVMBSA-N 441.532 2.272 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CC1 1515891186 DNMXHIQWIOYGMV-LJQANCHMSA-N 437.592 2.458 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCSCC2)CCCCC1 1516607211 DAXIQZMYXMSQEK-SFHVURJKSA-N 434.610 2.295 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1519038510 VYNUEEAILALSHD-JOCHJYFZSA-N 440.504 2.186 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)NC(C)C 1519336633 XYXBXMQNECCIIE-SXLOBPIMSA-N 440.548 2.270 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)C1 1519518781 GVHWZELADLZQII-KRWDZBQOSA-N 429.477 2.144 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1Br 1528186841 SZZILIAQWCXWFG-UHFFFAOYSA-N 448.342 2.486 30 10 IEEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1530404675 ZMEDANNOZBWTAU-UYAOXDASSA-N 434.496 2.375 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1538972770 LMBRSRIVEHODAT-GHMZBOCLSA-N 446.396 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](C(F)F)N1CCOCC1 1538994078 YPFQCLZPLJUDBA-DOTOQJQBSA-N 447.486 2.488 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539022985 SPXVQPDTBFIJSJ-FQEVSTJZSA-N 443.555 2.071 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1539124430 GKLAZCBQJXGJAK-UXHICEINSA-N 428.558 2.042 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1539343886 RBCJATXEXDYXMC-CQSZACIVSA-N 425.942 2.080 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCc2noc(CC)n2)CC1 1539453955 DSPFUGDEBRKRMO-UHFFFAOYSA-N 433.560 2.397 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1539467227 PKQMRZPAEBUMTE-XXBNENTESA-N 429.565 2.096 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 1540900993 PIAPBDJYSWBKRZ-UHFFFAOYSA-N 449.552 2.167 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCCCO 1541681288 OEVFOJFSIRSISA-IBGZPJMESA-N 426.521 2.028 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CCO1 1541744153 HPHZLLNHQJCZJX-UGKGYDQZSA-N 443.573 2.315 30 10 IEEE C=C(C)CCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1543934323 FZUGNZBWBCQFED-UHFFFAOYSA-N 434.562 2.092 30 10 IEEE Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1545988185 DRLGDMVGXWDRLY-UZLBHIALSA-N 441.919 2.270 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccccc2C)CCOC1 1547919070 JDJMGABJHYCBSW-CVDCTZTESA-N 441.532 2.437 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H](C)C2)CCOC1 1547919720 QQZCMOPBAHAWMD-ZRCGQRJVSA-N 446.596 2.171 30 10 IEEE CCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1548264659 YCGWKMUTNHUVHW-INIZCTEOSA-N 448.369 2.259 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C1CCC1 1554510783 HRDZXVIFNKGFTP-LJQANCHMSA-N 444.561 2.047 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C1 1557243653 WMTKBQLQLBOWDA-HXUWFJFHSA-N 431.456 2.457 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 1557267210 NVYIUKQHWGCABI-ZWKOTPCHSA-N 447.557 2.164 30 10 IEEE CCOC(=O)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)C1(C#N)CCSCC1 1558307030 BVYLEOCJFLEBFA-HNNXBMFYSA-N 425.551 2.328 30 10 IEEE CC(C)(C)NC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1567764819 BUYSJQOOSCGIRZ-WCCYLALTSA-N 447.580 2.426 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(Br)c(C#N)n3)C2=O)cc1 1584525526 FPYPSSOMRNGKKU-IBGZPJMESA-N 442.273 2.430 30 10 IEEE Cc1ccc(C(=O)N2CCCc3c(C#N)cccc32)cc1S(=O)(=O)N1CCOCC1 1586685152 HLYAKKPWBSUBOJ-UHFFFAOYSA-N 425.510 2.481 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCSC2)c1 1587683774 NULDUTKDSOTKCG-QFIPXVFZSA-N 427.574 2.500 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588068868 BAHMFHJCUZWUGC-YESZJQIVSA-N 432.521 2.279 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1 1588224035 NHMVOCBLAYWYMR-QGZVFWFLSA-N 430.434 2.349 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1CCC(=O)N1CCOCC1 1588452395 QXPHTHCUZFKRGD-UHFFFAOYSA-N 425.533 2.128 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(CC)C[C@H]1COc2ccccc2O1 1588975388 GOIFUBOEVQURLR-KRWDZBQOSA-N 443.573 2.449 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1589657903 NJQCXENQGZWMDR-QGZVFWFLSA-N 430.553 2.439 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1593752668 PBCZBOYOLJEWGS-OAQYLSRUSA-N 437.548 2.267 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1594733612 WFMYPSJWLPIXMV-SFHVURJKSA-N 431.562 2.142 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)C(C)C 1595171852 ZXIZCNJUIQMBHN-JSXRDJHFSA-N 442.608 2.195 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC=CCO1 1595275821 PVAFOFVEYHZRED-SFHVURJKSA-N 432.546 2.333 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1595466428 IWPSXLAWNZSYAX-HNNXBMFYSA-N 445.593 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 1595784986 PJOFSEIHFUWUGI-SFHVURJKSA-N 431.562 2.194 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1595890253 NMQBBWJQGFAYRN-QGZVFWFLSA-N 427.534 2.452 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)C#N)CC1 1615838391 LDMFOCSGIOPCKF-ROUUACIJSA-N 440.552 2.475 30 10 IEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1617658951 AETJBFACSLUROO-FQEVSTJZSA-N 435.532 2.332 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCc2nccs2)cc1 1620351898 IAKUVRBTHRMWEE-UHFFFAOYSA-N 437.529 2.130 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCOCC2CCOCC2)CCO1 1620357254 UDXPBPNGLZZZCW-LJQANCHMSA-N 431.562 2.492 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1632320742 DARVWDCDZCVPKU-JOCHJYFZSA-N 440.565 2.423 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cccc(CNc2ncccc2C#N)c1 1634792515 YJJDJSJVSKZKQL-MOPGFXCFSA-N 427.530 2.013 30 10 IEEE C#CCN(C(=O)CN1CCC[C@H](C(=O)OCC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818249 OKUVYAFUXOEDIG-SFHVURJKSA-N 435.565 2.123 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@@H](CC#N)C(F)(F)F 1635288114 HJJZJZNSGDQJTO-INIZCTEOSA-N 443.451 2.030 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@@H](CO)Cc4cccc(F)c43)C2=O)cc1 1639583778 KCGMCCLMBIHREN-HNAYVOBHSA-N 436.443 2.100 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)Cc2ccccc21 1640695805 JPAYOTCPQICQOE-JHBCHSCWSA-N 440.500 2.386 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1(C)C 1642892169 HXKUYWHSGJOMFD-UHFFFAOYSA-N 435.546 2.331 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1C(=O)OC(C)(C)C 1643583417 RNYQGDPQNKCXSK-QAPCUYQASA-N 435.546 2.318 30 10 IEEE Cn1cc([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2(C)C)cn1 1645905424 CGKLBXJVJFEERK-RBUKOAKNSA-N 426.590 2.316 30 10 IEEE COc1ccc(CN2CCN(C(=O)CN3CCN(c4ccsc4C#N)CC3)CC2)cc1 1654225716 CWDGFMFLKKHSMK-UHFFFAOYSA-N 439.585 2.095 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC 1663867872 HGEAYCKURNKSKI-UHFFFAOYSA-N 427.450 2.473 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1671140050 NJWWPKNGNLPEOC-HXUWFJFHSA-N 434.558 2.358 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)nn1 1682167135 SXHPASBOAUOKDQ-CYBMUJFWSA-N 426.290 2.016 30 10 IEEE C#C[C@H](NC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccc(Br)cc1 1682357444 ZLWRKCOVXMROOL-HNAYVOBHSA-N 433.306 2.143 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)C1 1685050624 KPUSBWGYIXSQRC-RTBURBONSA-N 434.581 2.189 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1690019618 NEPFXNJLPABCSH-QGZVFWFLSA-N 448.495 2.097 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCS(=O)(=O)c2ccccc2)CC1 1690125260 DLERBXOVRNCQNV-UHFFFAOYSA-N 429.590 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2=CCCCC2)CC1 1690154790 ZTVHLHCIWRMPKW-SFTDATJTSA-N 441.576 2.468 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690236803 RGVQZUOXMLEDMW-RBUKOAKNSA-N 440.548 2.133 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1692657143 DOSQKZYMHHNIJU-HNNXBMFYSA-N 425.518 2.066 30 10 IEEE Cc1nnc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693452597 AHMKSBQCMOPQDI-QAHCAUCSSA-N 449.559 2.214 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694130602 SAFMGRMKFDSSGS-WXVFVKJXSA-N 441.580 2.383 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1698492245 DEWDJNUNSFRKQP-INIZCTEOSA-N 429.406 2.455 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@]2(C)CN(C)C2=O)c1 1705505494 OXLBVEUIGJDGCH-DEOSSOPVSA-N 446.511 2.381 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)[C@@H](C)CC 1705582258 XBXIKOFYNTWLGC-CYFREDJKSA-N 435.576 2.322 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)s1 1705652200 SCHQXJJDJJCSGZ-CQSZACIVSA-N 427.621 2.261 30 10 IEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705721552 IKLPBABEICUSRB-SJORKVTESA-N 439.557 2.308 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705737130 KJOGFLRGUPPLRU-UHFFFAOYSA-N 432.613 2.204 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(Cl)ccc1OC 1705895141 VKOFOACYOVPVBF-UHFFFAOYSA-N 434.928 2.017 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1705912911 YHJWLAXMUZBPDZ-WMZOPIPTSA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCN(CCC)C(=O)C1 1705933251 ZCMQDLFZKNJQNQ-UHFFFAOYSA-N 445.589 2.303 30 10 IEEE CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1709909114 MJLROEHUQMTOIC-RTWAWAEBSA-N 446.559 2.362 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1710893659 PDKUQGOGYNISNP-HOTGVXAUSA-N 448.618 2.476 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1711238764 MVNUPGQWNNBKEW-GOSISDBHSA-N 429.546 2.399 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1712685818 UALWDFSYVUMBSA-QGZVFWFLSA-N 438.916 2.403 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1722294081 UUJYEIAQSAYTER-IUODEOHRSA-N 449.296 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCCC1 1722370904 RRWJYSQHQSWFDI-IBGZPJMESA-N 436.585 2.486 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1722455403 MWVSXABKKXAGDY-UHFFFAOYSA-N 426.590 2.255 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722482611 BZXRLNIIOSIVHW-YOEHRIQHSA-N 433.354 2.406 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1722530178 BFQSYVJFTADDGC-UHFFFAOYSA-N 449.577 2.013 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722629660 VOOPVOWIWXGISJ-HSZRJFAPSA-N 426.565 2.158 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722693338 KQCSMVZKCBSMGY-MFEFFIJZSA-N 441.532 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC)C1 1722731453 LGLNONGOHHTQQL-INIZCTEOSA-N 438.525 2.212 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1723779821 NZUYUKMKPVASCB-JLDZCNIISA-N 448.568 2.486 30 10 IEEE C[C@H]1N(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1726761350 IYEOAHKMKIHNPW-RAJOGRCSSA-N 430.553 2.397 30 10 IEEE COC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1729810330 JBQGSRKMARAOCA-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cccs2)CCO1 1731190587 RGPLIRNOTCELLB-CQSZACIVSA-N 443.920 2.214 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1740540527 WFJCRBAMBHLOFM-GFCCVEGCSA-N 430.310 2.351 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1740621244 JOWFQDIZFVDVSE-LNLFQRSKSA-N 430.578 2.132 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740622095 UIMAAPVVWCWZAZ-IBGZPJMESA-N 444.605 2.086 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@@H]1CO 1740635652 XTEVTNIGBWZKBT-OAQYLSRUSA-N 449.555 2.026 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC3CC3)nc2)CC1 1740818480 KXJKELZNIWWRRY-INIZCTEOSA-N 446.577 2.277 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1740927239 BJAWQEWFZBPQDA-GOSISDBHSA-N 432.546 2.333 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1740931742 BHRSZXIQUCFUAX-SFHVURJKSA-N 447.630 2.478 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC2CC2)CC1 1740961429 BPOPOWCZVUWHKX-UHFFFAOYSA-N 430.578 2.331 30 10 IEEE CN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1747542013 CDMXVDHDSTYEGH-SFHVURJKSA-N 438.532 2.180 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(N)=O)c1 1748802776 JFYZNFIJNVLXQQ-HDICACEKSA-N 438.532 2.265 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCC(O)CC1 1748831726 VQXVJYJWNKTNGI-UHFFFAOYSA-N 443.498 2.466 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(F)cc1 1748863740 FYEJLHZOKSSWEZ-KRWDZBQOSA-N 445.564 2.468 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2c(C)noc2C)n1 1748970856 VTLBEGHVYBPMKH-UHFFFAOYSA-N 448.531 2.419 30 10 IEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@H]2C1 1749024151 HAGPLHZIMACGDN-QGZVFWFLSA-N 449.527 2.434 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749032762 OXOOMPZAVAIDPD-MRXNPFEDSA-N 440.602 2.441 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1749120077 ABGIXHMLBGGVPB-LPOZWGFCSA-N 444.624 2.385 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749253264 YQVVVXOHQZCCLI-STQMWFEESA-N 439.866 2.259 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749260612 CGTZNBZXPVXEKC-INIZCTEOSA-N 425.942 2.224 30 10 IEEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749309097 CHAMUHQKWNHTRD-UHFFFAOYSA-N 436.560 2.431 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749596385 XEIWEYTZXIJABE-INIZCTEOSA-N 437.541 2.005 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1749650191 MZNPLUJUBVYCCH-HNNXBMFYSA-N 446.939 2.030 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1750199681 XOZOJNQGIIHQKG-FQEVSTJZSA-N 430.509 2.474 30 10 IEEE Cc1nccnc1CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1751814872 DCJKIRBPNITFFP-LEWJYISDSA-N 429.500 2.102 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760181767 BGMXUHQIFPWSGP-HXUWFJFHSA-N 443.617 2.334 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760188821 MYFDOLGGZDALFR-OALUTQOASA-N 444.605 2.164 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccccc2C)C1 1760242827 PQSJMWLFORJYSD-FHWLQOOXSA-N 445.589 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1c1cnn(C)c1 1760246650 XUDXJNNZQCVAIS-LJQANCHMSA-N 449.559 2.442 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCC(F)(F)F 1760250568 IILWVIZUALIATE-UHFFFAOYSA-N 448.449 2.115 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(OC)cc2OC)CC1 1760265364 ZAOGTIRUDXNZGM-UHFFFAOYSA-N 425.533 2.433 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1760501497 SHQVZZBYQZBZTB-GOSISDBHSA-N 449.577 2.036 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccccc2)CC1 1760525881 VHQIWRBJZBQXQF-UHFFFAOYSA-N 445.571 2.278 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1761997454 BEFTVQKBMFFYIY-HIFRSBDPSA-N 436.358 2.495 30 10 IEEE CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)O1 1764327483 ONTYOMKMLRCKOU-CVDCTZTESA-N 438.532 2.355 30 10 IEEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@H](C)C2)cn1 1766953881 BDSGPHLHCCXUMC-GOSISDBHSA-N 434.548 2.238 30 10 IEEE CN(CCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1768892123 IEQBKBMNEGIYNO-SFHVURJKSA-N 441.536 2.250 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1769996013 VAMRDYDHWJROFF-IIBYNOLFSA-N 440.483 2.073 30 10 IEEE COC[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1770743926 UKFCMYKBOHCDRK-SFHVURJKSA-N 432.532 2.140 30 10 IEEE COc1ncnc(OC)c1C(=O)N1CCN(c2nc(-c3ccccc3)ccc2C#N)CC1 1852004836 PWGQDCZZTPVSSY-UHFFFAOYSA-N 430.468 2.390 30 10 IEEE CN(C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)c1snc(N2CCOCC2)c1C#N 1852817102 SWRWVEBDAPMXCU-QFBILLFUSA-N 439.541 2.424 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1853156683 YTAPIEDDVLPNKL-OAHLLOKOSA-N 430.983 2.216 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2nccc3ccccc23)C(=O)C12CCCCC2 1854401790 SRBXYMYQXKWVCI-UHFFFAOYSA-N 426.498 2.075 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)[C@H]3CCCOC3)c3ccccc32)cc1 1854481290 UERAFRIWTCQVPA-INIZCTEOSA-N 425.466 2.053 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)c1 1854716966 MRHXJYFEQNRVOI-UHFFFAOYSA-N 425.510 2.248 30 10 IEEE COc1cccc2sc(N3CCN(C[C@H]4CCC(=O)N(C(=O)CC#N)C4)CC3)nc12 1855913543 VJBLVHXRYDOWOC-OAHLLOKOSA-N 427.530 2.106 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1862134253 HTMPYVFFBHRDBS-KRWDZBQOSA-N 425.576 2.110 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(O)c1 1862607074 GQQQOZWRXDSYSZ-FQEVSTJZSA-N 440.452 2.009 30 10 IEEE CCN1CCN(C(=O)[C@](C)(CC)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868796817 XMYILJGSXPHAER-XXBNENTESA-N 445.633 2.474 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN1CCC(O)CC1 1870337659 KUSGKUQLGJBCMZ-UHFFFAOYSA-N 441.528 2.407 30 10 IEEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCC(C(N)=O)CC2)cc1=O 1870561120 ZXXYSCCBBPWRQG-UHFFFAOYSA-N 432.524 2.282 30 10 IEEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873593026 BQYQKDZZZLTVRI-MRXNPFEDSA-N 438.507 2.194 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccccc2O)cc1OC 1874238192 VXZJADFTSMCSLH-SSDVNMTOSA-N 427.486 2.051 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cs1 1889932280 AKXOBPZVXAEQPR-UHFFFAOYSA-N 425.919 2.011 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1C 1890372188 KIXYBOFLGOFUNX-UHFFFAOYSA-N 442.545 2.086 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H]2CSc3nccc(=O)n3C2)c1 1890766957 KWPMYROUVQJABT-KRWDZBQOSA-N 426.542 2.010 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 1985006667 GOAWGUFYZAZWFE-OAGGEKHMSA-N 427.542 2.190 30 10 IEEE COCCOCCN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2116145853 RRGPLAQFUGIWGG-UHFFFAOYSA-N 443.353 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124539049 PTOHBUSHEYHRRR-OAGGEKHMSA-N 444.341 2.360 30 10 IEEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243371269 ASBGCMWQBIJLRJ-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405527 RRIRHLADPYQNIE-LJQANCHMSA-N 441.359 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2249054370 IMXAOHRCIMOUPK-WOJBJXKFSA-N 428.533 2.249 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2249668464 LJYJBZQINBPEJR-ZHRRBRCNSA-N 439.553 2.123 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808442 JSGWSGHHLQFTQW-XOKHGSTOSA-N 429.326 2.118 30 10 IEEE COC(=O)[C@H](CC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2256594844 DLEHAMAVAMAWEU-HNNXBMFYSA-N 438.330 2.233 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256873158 IHPQVDWTUWMQQH-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267506566 ZRFCNYLSGFDSQH-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267549909 RKYFQNOLNTTYCT-MRXNPFEDSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)nn1 2267581833 WNULNDCFHDNWLB-HZPDHXFCSA-N 447.345 2.168 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881476 HLIVYZXSPJWHGF-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)n[nH]1 2268613716 XXCIJLOBHSEENP-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2268712806 XJXBYQUHAVURPC-GOSISDBHSA-N 448.369 2.220 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268787608 VYMBORNYUAJMGU-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278700563 DLBVXNANOLKHJT-SFHVURJKSA-N 448.369 2.186 30 10 IEEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)N(C)Cc1ccccc1 2315601555 GAOURXWVGQMNML-KRWDZBQOSA-N 426.370 2.360 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315612506 ZJJBDZJHQPOMAG-GOSISDBHSA-N 427.354 2.379 30 10 IEEE CCSc1nnc(CNC(C)=O)n1N=Cc1cc(Br)c(O)c(OC)c1 2330747946 SRYBQMPZNWUALX-UHFFFAOYSA-N 428.312 2.385 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccs3)n2N)c(OC)c1 21317906 RHRQZNWWGVEBAH-DJKKODMXSA-N 433.519 2.247 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 45334288 PXQHXGLIABJFSO-GOSISDBHSA-N 446.495 2.066 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc(OC)c1 59015381 LTEZYJBRKFGAEP-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 63250550 FYWHZLRCIGEZBE-HNNXBMFYSA-N 433.486 2.485 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 409492241 PNISDZUIZRNTMA-ZYHUDNBSSA-N 425.864 2.258 30 10 IEEE N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 446432349 HXKHNGHJYYQHSN-SFHVURJKSA-N 445.497 2.113 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1scnc1C 460951489 LCKJGVGQZZXMRO-OAHLLOKOSA-N 425.580 2.174 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2-n2cccn2)CC1 474218385 ZQCLSEAYJRZLQK-UHFFFAOYSA-N 439.472 2.030 30 10 IEEE N#Cc1c(CCCNC(=O)Cn2cc(-c3ccccc3)nn2)nn(-c2ccccc2)c1N 474581086 MYRYWWDIQVRRGM-UHFFFAOYSA-N 426.484 2.334 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1 480955801 HZPKREVGFSBTEM-KSSFIOAISA-N 427.486 2.084 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)c1 487342598 GCJXETHESMCPLS-LFYDQECSSA-N 435.343 2.108 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C)c2=O)cc1C 488114676 DYDQNUYJVCGBDO-UHFFFAOYSA-N 433.533 2.238 30 10 IEEE N#Cc1ccc(OCC(=O)NC2CCN(C3CC3)CC2)c(I)c1 500043906 PCBJCIQCLJQKSZ-UHFFFAOYSA-N 425.270 2.285 30 10 IEEE N#Cc1ccc(CSCC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 500966015 BTOPCMDTCYLYID-UHFFFAOYSA-N 427.551 2.395 30 10 IEEE COc1ccc(C)cc1C1(CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CCOCC1 504101154 WMWBMPIBEZEBDC-UHFFFAOYSA-N 439.516 2.225 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 508960019 IEUKXUVRXUSADW-MOPGFXCFSA-N 431.562 2.099 30 10 IEEE N#Cc1cccc(C(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)c1 586574502 XYWWNGOFUJMAOR-UHFFFAOYSA-N 448.504 2.430 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2c(C)cc(C)nc2O)cn1 726108047 DPKYFRWTGDPRFO-KRWDZBQOSA-N 442.545 2.421 30 10 IEEE Cc1cccc(-n2ncc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2C(F)(F)F)c1 732153373 HGATWGHBWBRCBH-KNTRCKAVSA-N 433.390 2.456 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc(F)cc3)n(C3CC3)c2=O)cn1 735068021 CBCXPACQRYLMFF-UHFFFAOYSA-N 437.500 2.132 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 739836180 CLAHEDUZWIDAMV-OALUTQOASA-N 435.576 2.205 30 10 IEEE COC(=O)[C@H](OC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)c1ccc(C#N)cc1 740243543 AEFFHXQAXGZJCJ-HXUWFJFHSA-N 434.408 2.290 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O 741456572 QKCGPXZYQQFELC-QGZVFWFLSA-N 433.509 2.403 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCC(CN(C)C)CC1 750446777 PXYJKALCAWGGRF-FAFZWHIHSA-N 434.606 2.376 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 753821593 ZAUGPTIUWROEPZ-JOCHJYFZSA-N 448.970 2.290 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cc(C)cc(C)c2)C1 760300463 HXNAGBGOSXYFOM-IAGOWNOFSA-N 431.562 2.175 30 10 IEEE Cc1cc(N2CCN(C(=O)COC(=O)c3cccc(F)c3C#N)CC2)nc(C(C)C)n1 778369861 GCJBCQUPXDEUHH-UHFFFAOYSA-N 425.464 2.425 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2ccc3cc(I)ccc3n2)CC1 793204622 NWVONEHIWIZDRS-UHFFFAOYSA-N 441.250 2.203 30 10 IEEE N#Cc1cccc(C(=O)NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)n1 810860193 MKGKOTJIGVACKN-UHFFFAOYSA-N 440.666 2.136 30 10 IEEE C=C(COC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12)C(=O)OCC 811362915 JBYXRXCUUGEZQG-YRYYUTHUSA-N 435.476 2.128 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCn2c(=O)nc(O)c3ccccc32)CC1 857840942 FSZNOEDZBKGSGP-IOXSGPKDSA-N 440.500 2.355 30 10 IEEE COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 919318050 AZYDEDITFQGXAV-CVEARBPZSA-N 444.509 2.291 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(F)cc3)n2N)cc1OC 1084187577 MGFFDQFZTQWNFP-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE C#CCN(C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1136354937 DPKXXQCCQSYCHS-GOSISDBHSA-N 432.542 2.176 30 10 IEEE C[C@H]1CN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCO1 1154162342 LFPRNCITJNUMSB-NUXKCHKQSA-N 434.581 2.390 30 10 IEEE C=C(CN(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1179551270 DRUVHMDXPDXYNG-UHFFFAOYSA-N 440.585 2.421 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)ccc2c1=O 1184167066 MITCSIZIGJPCET-SFHVURJKSA-N 440.447 2.154 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nncn3CC2)cc1 1264723920 BHXMZPFIECNMNI-WLTRUERESA-N 444.561 2.462 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1286364015 WSYFUNZTNZYQQQ-XMMPIXPASA-N 445.608 2.282 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286392687 MUKQMTSOHAZIIK-NHCUHLMSSA-N 440.569 2.383 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[S@@](=O)CC 1286413385 JDKNLFNKHRAJAR-OKXSDPAFSA-N 447.605 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC[C@H]1C 1286419304 RHRZQVKLIYFNBU-OAQYLSRUSA-N 448.571 2.331 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(C)nn(C)c1C 1286463534 QIRPTJIAELXAOU-UHFFFAOYSA-N 438.532 2.447 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1286566121 KZSUPFMCMMIUMA-GOSISDBHSA-N 447.605 2.472 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286605889 ZPXKHJOCHMVZSE-UHFFFAOYSA-N 425.537 2.271 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1286666594 XBLPAVKVGORHFU-LJQANCHMSA-N 431.562 2.422 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286672642 OOTLZVXNNRZXQD-ZWKOTPCHSA-N 430.597 2.173 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1286788376 VLGPSWYBDONGSR-OAQYLSRUSA-N 449.559 2.356 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)C1 1286810623 UBFSBSLBIJFDDF-JKSUJKDBSA-N 426.608 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286816543 GCVQFDDJLJHBJP-GOSISDBHSA-N 445.589 2.355 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@@H]1C 1291326877 BPBQKILCSCFHAZ-CABCVRRESA-N 434.591 2.086 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1297627210 VZRKDCOJRCSCDE-QPHCHLROSA-N 443.573 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1300309517 HODMDEAFBDXRGH-XLIONFOSSA-N 425.533 2.359 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1300496086 NXBRHCHVGIBFHY-PXNSSMCTSA-N 436.603 2.073 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1300703788 SOXMCCHOAQAFPL-OAQYLSRUSA-N 442.633 2.042 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccccc1CC 1300757008 YXRCHRKPJKSEOV-SFHVURJKSA-N 440.573 2.233 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1300766558 GAUSUCONGDDLJV-LJQANCHMSA-N 426.590 2.373 30 10 IEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301197172 GFLXKGOWUXQVPW-GOSISDBHSA-N 425.537 2.306 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1301367018 JQEWIMAGWSJJIV-WOJBJXKFSA-N 440.596 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1301491150 LTFHANRNGZYTNF-IBGZPJMESA-N 442.564 2.140 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301497398 VLAIFXFOARVECK-KRWDZBQOSA-N 435.532 2.033 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1301502230 DHKPSVOQHMGLHB-UHFFFAOYSA-N 430.940 2.149 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1301612898 QYENNMUNHJXKFC-DOTOQJQBSA-N 438.575 2.270 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)cc1 1302576969 ZOYINAOPIXAPHE-UHFFFAOYSA-N 440.447 2.080 30 10 IEEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 1303685782 FAWHEIPWZRVLPE-FCEWJHQRSA-N 438.546 2.112 30 10 IEEE Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892923 NQODDSSJKQBWET-UHFFFAOYSA-N 435.484 2.340 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc(CN4CCNC4=O)cc3)C2=O)cc1 1312485744 NSVOLJGPZGDPSR-NRFANRHFSA-N 446.511 2.078 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CCN(C4CCC4)C3=O)c(C#N)c2N)cc1 1313099483 DKVGZUIWAOSLJG-HXUWFJFHSA-N 435.532 2.020 30 10 IEEE CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318048468 KRTOTIIXNYUBEQ-MRXNPFEDSA-N 446.463 2.218 30 10 IEEE N#Cc1cccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)c1 1358242356 PTFLXIWRJFSWKF-UHFFFAOYSA-N 430.209 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCCC1 1358872292 SBLDLCDTHKNVMC-DLBZAZTESA-N 425.599 2.333 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1358911410 SZUYKRUHSFRRQQ-PKOBYXMFSA-N 428.581 2.410 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 1358967755 RERYZYIKVGVQIT-IBGZPJMESA-N 439.541 2.038 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCO[C@H]1C 1358968920 CCCQTZZADLOYNZ-JXQFQVJHSA-N 438.528 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1358973666 AGNJZVTVOMGMKF-IRLDBZIGSA-N 444.543 2.445 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCNC(C)=O)CC1 1359039771 VDROFUALMKOTSR-UHFFFAOYSA-N 426.590 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC)CC1 1359043773 HWYNWMJARKVNEX-UHFFFAOYSA-N 445.527 2.148 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359083171 CUWUCVAQWFWSHN-ZIAGYGMSSA-N 433.372 2.442 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359127945 FHDBZAILDMEAES-UZLBHIALSA-N 441.532 2.270 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1359227747 KUDROEOBVMATQZ-VQIMIIECSA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1359300025 RQBQWBGSWCHZJV-WZONZLPQSA-N 425.533 2.226 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](CC)C1 1359303912 FKSHOATVGJXIEZ-SFHVURJKSA-N 426.546 2.363 30 10 IEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1359488692 JBBILNXNBMDTID-RBUKOAKNSA-N 449.559 2.226 30 10 IEEE CN(C)CCNC(=O)c1cccc(CNC(=O)Cc2ccc(Br)cc2C#N)c1 1359827818 QLXAESHWDBWMAN-UHFFFAOYSA-N 443.345 2.471 30 10 IEEE C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1Cc1ccccc1 1436730016 ZWEMXSFPOIAVQL-PGRDOPGGSA-N 445.523 2.496 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1438152886 KDHAANFJEBJWJO-AWEZNQCLSA-N 443.363 2.392 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 1438772707 WEOUEUATWNDIBC-KRWDZBQOSA-N 449.602 2.002 30 10 IEEE N#Cc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1F 1451462553 PSCJHWXWEIZWNN-UHFFFAOYSA-N 437.212 2.348 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2c(C(F)F)nc3cnccn23)c(=O)c1C#N 1457780162 ORSIPYYXDGNJEP-UHFFFAOYSA-N 437.204 2.464 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 1463746721 QVCPVCMXFITTBT-NRFANRHFSA-N 428.510 2.125 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)n1 1465988061 IDCAVRHSQWPVGW-MRXNPFEDSA-N 426.868 2.350 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 1470095860 IZDAULVUEQZKMI-QGZVFWFLSA-N 428.518 2.483 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C(F)(F)F)c1 1471420268 CATXGZGMMNEDFI-GOSISDBHSA-N 439.415 2.287 30 10 IEEE C#CC[C@]1(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1471764367 GXCUSCGOOMSFQH-JOCHJYFZSA-N 432.521 2.113 30 10 IEEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 1473869318 AZSSBUMZFZSONZ-SFHVURJKSA-N 437.562 2.290 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccccc1 1478895471 DSEVHMCMOZWMHP-INIZCTEOSA-N 437.443 2.494 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1503641659 QRXZXXNRIOOMOS-UHFFFAOYSA-N 445.545 2.067 30 10 IEEE COC[C@H](F)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504605849 FBCBYHONXNALNS-JKSUJKDBSA-N 430.532 2.228 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1505279802 FKOVVYNWAYNFTC-OAHLLOKOSA-N 431.541 2.054 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCO[C@@H]2CCOC2)CCO1 1505322319 LUWFPQFFNYAOHX-HZPDHXFCSA-N 433.459 2.071 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2Cl)nnc1N1CCCOCC1 1505351947 UYFZIWMVYIEOKO-ZZEZOPTASA-N 442.907 2.352 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1507625482 JWMHNJUHALOLIN-CRAIPNDOSA-N 440.529 2.067 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)nc1 1507661566 ZNLAGQKFYLAYSN-XMMPIXPASA-N 436.560 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCc1ccc(S(C)(=O)=O)cc1 1507666263 CTFYLFGWTLOFNL-UHFFFAOYSA-N 435.553 2.393 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](OC)c2ccccc2)CC1 1507741077 KOFGYBLHSVKZAR-HXUWFJFHSA-N 425.533 2.168 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1507803516 HCOMWICKPUCKTN-XMSQKQJNSA-N 425.533 2.137 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cscn1 1508079109 ODSNLQSMHKRWRQ-UHFFFAOYSA-N 428.518 2.357 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)C1 1508117033 STTZTMWEPLAHDP-GJZGRUSLSA-N 438.326 2.232 30 10 IEEE COCCOCCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519399661 WMCUACORVZSJIZ-UHFFFAOYSA-N 433.516 2.201 30 10 IEEE C[C@@]12CCC[C@@H](CN1c1nnc(COc3ccc(C#N)cc3)n1CCNS(C)(=O)=O)C2 1520727536 YBFLGSBUQDYSDI-UTKZUKDTSA-N 444.561 2.047 30 10 IEEE COC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1=O 1532371632 NOLIDZPGMLRIDJ-KRWDZBQOSA-N 437.500 2.392 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1539014852 MXIKDMSTNCIWDK-IRXDYDNUSA-N 428.558 2.379 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1539117980 YVPSTSXHMNCXOV-SFHVURJKSA-N 435.532 2.201 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1539223984 AYHXZRICHZKHLL-MRXNPFEDSA-N 436.628 2.453 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(F)cc1)N(C)C 1539238236 UBGVHJGHJANJBN-QPPBQGQZSA-N 439.535 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1539311875 ABSFOILBINMQMW-QHCPKHFHSA-N 441.539 2.272 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CCn1cc(Br)cn1 1539340128 GNICISBZQJHVLG-UHFFFAOYSA-N 436.358 2.315 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539436504 VARNYVNSKHBJAT-GOSISDBHSA-N 444.942 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(OC)CCCC2)CC1 1539482361 LULJOHFQVLVOPL-UHFFFAOYSA-N 436.560 2.189 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539526735 TZUZZMABCYKVDR-GOSISDBHSA-N 443.598 2.271 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)CCO2 1540189063 HVTZNBWWPCXSPI-UHFFFAOYSA-N 425.533 2.331 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2CCOC2)CC1 1540872855 CMJXMNFDPIJPQU-QGZVFWFLSA-N 430.578 2.189 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)(C)C)C1 1540883603 CBDNHEUFILBHJO-WZONZLPQSA-N 449.596 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(Cl)ccc2C1 1540901839 QWDJIWSVNWGFPS-UHFFFAOYSA-N 446.964 2.496 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1545877664 IYEYTHPKBPOVCP-VOQZNFBZSA-N 448.543 2.367 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC2(C#N)CCCC2)CC1 1557334990 OMDFZUYAWNYJNB-UHFFFAOYSA-N 433.530 2.074 30 10 IEEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C(=O)OC(C)(C)C 1558907806 KENZXNCKVQVNFA-FOWTUZBSSA-N 444.513 2.104 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 1559231118 JJEVSHHVEJZPPD-IBGZPJMESA-N 430.486 2.421 30 10 IEEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OCC 1569184355 NKKQTFPZMOAYLV-QGZVFWFLSA-N 444.500 2.380 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCNC(=O)[C@H]3c3ccccc3)C2)C1 1584531297 VKFOKHZWIXSYRA-AAXCNWCCSA-N 438.528 2.473 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1=O 1588014718 SFXLAPLRHNMVQM-LJQANCHMSA-N 441.528 2.260 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1588044689 ATTSYZOLKZWMMQ-QGZVFWFLSA-N 439.516 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCn1cc(Br)cn1 1588228820 MMTCVFUNELWOHL-MRXNPFEDSA-N 431.338 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCN1CCOCC1(C)C 1588595378 RRANIOVXFUFXMM-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588813022 VQNHEJCPDQHDLJ-ROUUACIJSA-N 440.514 2.159 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1593931853 BAQHCRMSAZWRHB-JXFKEZNVSA-N 425.961 2.376 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1594660822 NLHQCNLGAOLROW-ICSRJNTNSA-N 427.553 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1595497374 ZKMDQCXOFQIGTB-YWZLYKJASA-N 441.532 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnccn1 1595506832 NTPGGSOJRLHRQU-UHFFFAOYSA-N 427.896 2.336 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1595577503 VCDWPBTWJNONKN-UHFFFAOYSA-N 442.564 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1595805816 VFOALLYFDSORBM-BGYRXZFFSA-N 429.590 2.010 30 10 IEEE COc1ccc(NC(=O)c2ccc(I)cc2-n2cnnn2)cc1C#N 1595811730 ZGBPXBLIRSAFHK-UHFFFAOYSA-N 446.208 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)C1CCCCC1 1595821936 DRPWIPDMQUQNPF-KRWDZBQOSA-N 437.610 2.406 30 10 IEEE CC(C)(C)OC(=O)CCCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1596736032 LTLKQVAFPLQIGQ-QGZVFWFLSA-N 428.489 2.391 30 10 IEEE O=C(CCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCOCC1 1598482920 HFXTZOVAYUYUDH-UWVGGRQHSA-N 438.315 2.255 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1603483807 NKKBDZPUCVUBOM-JOCQHMNTSA-N 425.482 2.156 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@@H](C)O)cc1 1627683533 YMQHKHMBGMUZDM-OXQOHEQNSA-N 427.526 2.090 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 1627793996 FLCSUMSSUZWYNL-AEFFLSMTSA-N 428.470 2.143 30 10 IEEE N#Cc1c(CCCNC(=O)c2cc3c(nc2O)CCOC3)nn(-c2ccc(F)cc2)c1N 1629820549 MOFGSGFRGVLSPN-UHFFFAOYSA-N 436.447 2.001 30 10 IEEE CC1=NNC(=O)[C@H]1CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1632758879 XIUJFHPMZRXABY-FUHWJXTLSA-N 425.489 2.021 30 10 IEEE CN(CCNC(=O)N1CCc2c(CC#N)cccc2C1)S(=O)(=O)c1ccc(F)cc1 1634743965 NBAONGANSKBOLU-UHFFFAOYSA-N 430.505 2.280 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCN3CCSC[C@H]23)C1 1638266181 IUJUSWHRTAMKGN-FUHWJXTLSA-N 435.391 2.453 30 10 IEEE CN(C)CC#CCNC(=O)N1CCC(Oc2ccccc2I)CC1 1639130161 PGZLJSMYMGLIOX-UHFFFAOYSA-N 441.313 2.409 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 1644248025 SWLYTAJYZLSUOM-HSALFYBXSA-N 429.565 2.005 30 10 IEEE CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1644676130 PANKFSPVCQDNOF-NRFANRHFSA-N 440.569 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1649537968 JAWODERYBTUKBJ-WZONZLPQSA-N 435.532 2.406 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CCOCC1 1666564369 PKNDEUGWFJZCGB-UHFFFAOYSA-N 428.533 2.054 30 10 IEEE CCOc1ccc(NC(=O)CN2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1687386772 RQFYDIBTCCNTRD-QFIPXVFZSA-N 447.539 2.390 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCc2sccc2C1 1689973548 HHLQHOXBKPTINL-UHFFFAOYSA-N 440.598 2.459 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2csc(C)n2)CC1 1690146299 KLKITVQLUOQZPR-LJQANCHMSA-N 442.589 2.493 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(CC)nn(C)c2OC)C1 1690699676 HVMMVWDQYOADGJ-IRXDYDNUSA-N 430.553 2.306 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCCN1CCOCC1 1693545505 PEYVTLHVLJWFBR-UHFFFAOYSA-N 427.528 2.036 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCOC)C2)CC1 1695889076 SKDUOJRAGJIYHQ-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H](OC)C(C)(C)C 1698060408 FIRXAMSANKRZNC-KRWDZBQOSA-N 432.525 2.433 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC[C@H]2CCOC2)CCO1 1698494457 VYETZKJDLAJZPM-IEBWSBKVSA-N 429.496 2.180 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCSC2)c1 1705504155 OMNHJGJCRGVHKR-QGZVFWFLSA-N 440.573 2.226 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccc(C)cc2)CC1 1705638608 QIWYBXDWZBWSAR-HXUWFJFHSA-N 438.601 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705648563 UNBROLGWKLGODX-LJQANCHMSA-N 440.592 2.160 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1705662835 MQBQVDCLOKNYOK-QFIPXVFZSA-N 427.574 2.206 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705686730 IZPVOJCPPQDTGA-YOEHRIQHSA-N 435.370 2.349 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1705819831 VLAKCZKKDYKFCX-MRXNPFEDSA-N 434.541 2.007 30 10 IEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705892128 CDAANSUFIIJLKK-OAHLLOKOSA-N 447.337 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC 1705934774 WTZKYECSROJUCB-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706328799 JUCLDSJYISJNRU-JROKQLJMSA-N 428.537 2.181 30 10 IEEE CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1708522213 WHKGUTMPGXEVJT-ROUUACIJSA-N 439.564 2.437 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CC(F)(F)Br)cc1 1712881583 ZTKWJQULGHONMT-BETUJISGSA-N 426.221 2.366 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722311377 GIVYWCKUMQWDSG-QGZVFWFLSA-N 431.949 2.424 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722316227 DUTYMYNOQVMACI-MOPGFXCFSA-N 433.622 2.294 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nc2cc(OC)ccc2n1C 1722356976 OJZGCZIEBQFMIN-UHFFFAOYSA-N 449.540 2.283 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1722359816 PXQUJICYWPEHKF-SJORKVTESA-N 440.928 2.210 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362075 RPGJLFHUEVTXSL-QUCCMNQESA-N 446.621 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCSC1 1722395345 ZRDTVHWNJWFMOX-SFHVURJKSA-N 434.363 2.367 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1722494417 MHQKCRJSEBXPQZ-CXAGYDPISA-N 449.353 2.343 30 10 IEEE C=C(Cl)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722558194 HEHJJFZTIPDUPF-SFHVURJKSA-N 432.974 2.085 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722592420 YEYRYCLUTDVLOD-MSOLQXFVSA-N 443.596 2.414 30 10 IEEE CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1723207637 FFPKDELSIJDVON-SFHVURJKSA-N 446.577 2.150 30 10 IEEE CCc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727621633 HPRJBIMBIMPSSL-OQLSDQBISA-N 440.479 2.084 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCCO[C@H]2CCOC2)cc1 1731184667 HDIKDHILEWVXJT-FQEVSTJZSA-N 427.505 2.151 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@H]1CCOC1 1740551775 LVZRIWRNOPYTFE-QUCCMNQESA-N 439.564 2.106 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1740579063 KLHKRVYEUVHJAO-UHFFFAOYSA-N 428.581 2.305 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1740622014 SAKITCPQUGGRGF-SFHVURJKSA-N 433.603 2.356 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1740638698 LTJVQRFLDDDDAG-FCHUYYIVSA-N 430.556 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCn1c(O)nc2ccccc21 1740654995 UVIVCYFUPITUPX-UHFFFAOYSA-N 425.496 2.482 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1740671102 ZKZSHQCHCRSSMB-HTAPYJJXSA-N 433.553 2.004 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCC(C)CC2)CC1 1740698507 HKTXDJJGISRVAR-UHFFFAOYSA-N 436.604 2.387 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1740732421 CLYBGXUZDIDUOP-HTAPYJJXSA-N 428.558 2.304 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCC2=O)CC1 1740795874 HHFAIMNRDACGPI-UHFFFAOYSA-N 441.580 2.324 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)C1 1740980788 MTCVXQDSFZIAKN-ROUUACIJSA-N 438.594 2.047 30 10 IEEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)cnn1C 1742062162 MXDQJJVLCORBGO-IBGZPJMESA-N 432.532 2.410 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cc(C)oc1C 1744096258 BWFNWKZGFFIHOE-JTSKRJEESA-N 444.536 2.043 30 10 IEEE CNC(=O)c1cccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)c1 1748162768 BNLDWZCVQKOJJI-HXOBKFHXSA-N 440.548 2.465 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1748714337 HMUFNNFHFUSYDN-GOSISDBHSA-N 425.537 2.101 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1748716245 WLLNOBDCCYNJSK-FQEVSTJZSA-N 430.597 2.314 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1748764779 VUNIFUCLIOUKAX-ZWKOTPCHSA-N 443.552 2.346 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCN(CCN(C)C)CC1 1748779521 NGLQHIVUPVVHGS-UHFFFAOYSA-N 440.592 2.305 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1748802123 LLOJJEUNOULMFR-LJQANCHMSA-N 446.621 2.412 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1748816925 BAPFJNDIRZIVPN-HXUWFJFHSA-N 446.621 2.457 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCOCC(F)(F)C(F)F)CC1 1748991464 XTYKQLJXXBOCMI-OAHLLOKOSA-N 433.450 2.192 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1749022155 GDECLELWPWKTHY-MRXNPFEDSA-N 446.552 2.385 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749107100 PRDKOSGPDSRCRS-JKSUJKDBSA-N 431.338 2.230 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1749676784 DEYALRBSFQDDSZ-UHFFFAOYSA-N 427.528 2.174 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCOCC1 1750140880 GZWVAYYARNYYLI-PMACEKPBSA-N 446.596 2.243 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)C 1750151415 LHGSRNLXKASWDB-ICSRJNTNSA-N 425.537 2.251 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)OC1CCCC1 1751004347 ZDBHHRJTAZGPDR-UHFFFAOYSA-N 432.550 2.455 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1760151885 RNUQHLOKFMLBJT-KDURUIRLSA-N 425.581 2.418 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1760189817 MBZMEBOGCJNZCC-KRWDZBQOSA-N 428.489 2.276 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN(CC(C)C)C1 1760195403 BBEPLOPUHJVENU-ZJSXRUAMSA-N 427.593 2.371 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760285175 ZDJISPAGOXKHQW-LJQANCHMSA-N 447.630 2.062 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1760293016 MZBYNHVXDSAPEB-XMMPIXPASA-N 436.560 2.110 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760351120 CMZQILBLXNXGNE-ZWKOTPCHSA-N 425.537 2.191 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1760464315 FERWDZXQNCBLFM-SFHVURJKSA-N 430.578 2.236 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1760695095 APNCQWXCKSFYLE-HNNXBMFYSA-N 436.969 2.154 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760728059 GCLLYJKUBSUASI-GUXCAODWSA-N 438.573 2.222 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1761251894 JCQGMLIVXMSYJP-AUSIDOKSSA-N 438.532 2.116 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)C1 1761547815 DLJWNPGADGPOKZ-YADHBBJMSA-N 436.541 2.488 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1761828243 BCQWXKPMZYCGLS-OAQYLSRUSA-N 447.536 2.432 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H](C)O1 1765309909 OBQUSSNKLVJDID-JTUHZDRVSA-N 438.532 2.211 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1765377786 LYPCSSOFBPHVGT-NTKDMRAZSA-N 449.559 2.180 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccccc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1767150217 JTEVUTYPIAAJBA-OAQYLSRUSA-N 437.592 2.400 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1768659497 DHMFAGSHGKGZPC-OALUTQOASA-N 427.530 2.033 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1NC(=O)CC1(C)C 1770189937 NSEFCPIPDZOSHB-LNLFQRSKSA-N 430.553 2.047 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1771039376 ATPZXARSTIDNKA-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1772790041 ODYUDBWNPVOTND-UHFFFAOYSA-N 434.857 2.493 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1772887283 ITLBORHCJJPORC-QZTJIDSGSA-N 428.562 2.381 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@H]1CCN(C)C1=O 1848983940 ZBMXVDVIHGNONE-PMACEKPBSA-N 447.601 2.319 30 10 IEEE Cc1cc(-n2nnc(C(=O)N3CCc4[nH]nc(C#N)c4C3)c2C)ccc1Br 1850419588 RPIRJCBBFKWHRL-UHFFFAOYSA-N 426.278 2.440 30 10 IEEE C[C@@H]1CCc2nn3ccnc(N4CCN(CC(=O)Nc5ccccc5C#N)CC4)c3c2C1 1851275562 HEBLKEYTCLUXOB-QGZVFWFLSA-N 429.528 2.486 30 10 IEEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)N2CCCC(=O)CC2)cc1 1851672714 VNYBYOUMUQZHEQ-OAQYLSRUSA-N 425.510 2.029 30 10 IEEE CN1Cc2ccccc2C[C@H]1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1852762971 OIBZTUMBINYJRT-SFHVURJKSA-N 445.976 2.390 30 10 IEEE N#Cc1nnn2c1nc(NC(=O)CN1CCC(F)(F)CC1)c1ncc(C(F)(F)F)cc12 1852809977 JWFJWNSQVABMPS-UHFFFAOYSA-N 440.336 2.233 30 10 IEEE COc1cccc2sc(N3CC(C(=O)N4CCN([C@@H](C)CCC#N)CC4=O)C3)nc12 1856407826 LNESKUDYGLJBCZ-AWEZNQCLSA-N 427.530 2.104 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccc(Cl)cc2)C1)[C@H]1CCN(C)C1=O 1857045339 KSHFXBFHAHBYCC-LPHOPBHVSA-N 433.936 2.203 30 10 IEEE CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccccc2)c(C#N)c1C 1866202888 CGWGMYPSIPBKGJ-GDBMZVCRSA-N 427.482 2.319 30 10 IEEE CCCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874337570 IQSDYPRILYOLOX-IMQYADFFSA-N 444.561 2.251 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc4nsnc4c3)CC2)CC1 1889537960 USGCUZDYWZUHFS-UHFFFAOYSA-N 441.601 2.342 30 10 IEEE C=C1CC(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)(C(=O)O)C1 2020900796 XADAWDBACZPVMM-QFIPXVFZSA-N 429.517 2.445 30 10 IEEE C[C@@H]1C[C@@]1(CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634345 YNGWDEXRLCWJNZ-ASSNKEHSSA-N 432.330 2.265 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)C1(O)CCC1 2067742858 LWHJBXYPHMYJIC-OFQRWUPVSA-N 436.358 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H]1CCOC1 2141677906 KLKTWEMXMSSYGH-WMLDXEAASA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)c(C#N)cc1F 2225624411 ATYSFRDLDLGBQG-KKUMJFAQSA-N 430.274 2.213 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cnc(I)cn2)C1 2247567334 PXZDUPJVFCMYSJ-UHFFFAOYSA-N 442.257 2.326 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247866518 NMEAJORCPACXHX-UHFFFAOYSA-N 440.371 2.007 30 10 IEEE CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401503 JTENOTWOGLJDJG-LBPRGKRZSA-N 440.375 2.281 30 10 IEEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254751168 JHQZXZUTWLQPLE-HUUCEWRRSA-N 437.321 2.106 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255629188 SAWGHILEYIQVHO-NRFANRHFSA-N 434.346 2.086 30 10 IEEE C[C@@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)C(F)(F)F 2255818473 LNVRIHOGGPMRCO-YPMHNXCESA-N 430.232 2.108 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830539 HPHADESWCMDIDA-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256069502 NFNNPKCPGYNAOG-SFHVURJKSA-N 425.338 2.435 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2259354264 AVUZXYUTALRXKR-PBHICJAKSA-N 431.342 2.414 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nn(CC)cc2B2OC(C)(C)C(C)(C)O2)C1 2267149660 PPZWOVBAKFVIBL-UHFFFAOYSA-N 448.373 2.284 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)n1 2267171636 NKHSSHCKVNMCNI-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CCn1cc(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267188173 IWCLRRKYZDKDQH-HNNXBMFYSA-N 446.357 2.108 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1Cc1ccccc1 2267532927 LVJKUGZOCHHUFT-SFHVURJKSA-N 438.381 2.456 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267550845 FIPIXSDASPCKLL-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267593918 XIACJQVRHNALJE-UHFFFAOYSA-N 446.357 2.342 30 10 IEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)c(C)n1 2296609551 XVMPWMBWIIRAKO-IBGZPJMESA-N 442.541 2.299 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2334272705 LMULIHRAMJGEBT-KYJSFNMBSA-N 445.369 2.310 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1C 2337393944 GSJFUZSTEJKRLH-LJQANCHMSA-N 438.381 2.280 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)nn1 2342478910 BFJRLLWUULNWAI-VFNWGFHPSA-N 449.361 2.466 30 10 IEEE COc1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(OC)c1 18039249 WAMPWKBBZQIFNE-UHFFFAOYSA-N 443.525 2.041 30 10 IEEE CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H](C)Oc2ccccc2C#N)c(=O)[nH]c1=O 29759222 OEVCMHHDDCYNEY-HNNXBMFYSA-N 427.505 2.247 30 10 IEEE CCCCCCCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC)cc1 100154172 GUZHYZYLNIRNNK-GOSISDBHSA-N 449.573 2.414 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1C 103109004 XIBWHNFFLBYBGX-LXMVLSBBSA-N 431.514 2.463 30 10 IEEE C#CCN1C(=O)[C@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(c4nccs4)C(=O)[C@@H]32)c2ccccc21 253579657 ZXAFZSVPNLISFZ-OMGHFUJISA-N 434.521 2.142 30 10 IEEE N#Cc1ncn(-c2ccccc2NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n1 464643434 OIJSXRRQRNNKHM-UHFFFAOYSA-N 430.449 2.440 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)c(F)c1 466257866 JYTJZTGFGRGTKE-UHFFFAOYSA-N 431.417 2.316 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 467207273 NCEWKMQRUDNRPT-QGZVFWFLSA-N 430.526 2.431 30 10 IEEE COc1cccc(-c2nc(=NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)s[nH]2)c1 476317862 PKHWOAAQDAVSHG-UHFFFAOYSA-N 443.510 2.080 30 10 IEEE N#Cc1cccc(C2(NC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)c1 477877014 KCZQIKDDIAJSED-UHFFFAOYSA-N 446.554 2.129 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 486641605 WBZUDFZZUADYBK-KRWDZBQOSA-N 447.900 2.078 30 10 IEEE COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 502494902 BSTKTEVTDKEDFM-JLTOFOAXSA-N 439.534 2.200 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 505155880 AHXDPEDLJLGUHK-FUHWJXTLSA-N 441.557 2.164 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 506485885 JIEYQWXRDDVCQH-HSZRJFAPSA-N 434.581 2.089 30 10 IEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508812823 XPEIBGRUGPJVJW-UHFFFAOYSA-N 443.515 2.442 30 10 IEEE CCn1c(=O)c(=O)n(CC#Cc2ccccc2Cl)c2cc(S(=O)(=O)N(C)C)ccc21 532619039 NHPHFYPCNTURJR-UHFFFAOYSA-N 445.928 2.139 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2C[C@H]3COC[C@@H](C2)C3=O)CC1 535764716 OELMTKVZQDEBFH-RGPMPMONSA-N 446.345 2.400 30 10 IEEE COc1ccc(CN2CCN(C(=O)Nc3cc(C)n(CCC#N)n3)CC2)c(OC)c1OC 538620543 NMNLTOPQETXTLC-UHFFFAOYSA-N 442.520 2.481 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)C2)c(F)c1 553572936 SZKCJBRQOIRDJB-RTBURBONSA-N 436.487 2.320 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(CNCc3nc(C#N)cs3)CC2)cc1OC 564414809 HBSXGEXWWNNLIM-UHFFFAOYSA-N 436.559 2.222 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 566710257 SKPQYXHULJPVMV-SEJPIABJSA-N 438.553 2.148 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1)S(C)(=O)=O 583457158 QOFQQUSNAWQSHA-KRWDZBQOSA-N 428.514 2.489 30 10 IEEE CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586858937 MRLFSRLZNFBFBC-YADHBBJMSA-N 443.567 2.109 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(F)cc1 603786299 IOPSVNIPXVUYIX-UHFFFAOYSA-N 441.434 2.098 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 609116699 XJZNYIPZMXQVKZ-KRWDZBQOSA-N 442.541 2.290 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccccc3OCC3CC3)c2=O)cn1 726960778 ASVURMFJLXMJOB-UHFFFAOYSA-N 430.489 2.118 30 10 IEEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)cc1C#N 746860327 WDPKVTZWCFPPHS-HNNXBMFYSA-N 430.530 2.256 30 10 IEEE CC(=O)N1CCC[C@H](COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 766467161 XQNLZMCRXCPYFR-KRWDZBQOSA-N 435.546 2.087 30 10 IEEE N#CC1(COC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCC1 768085219 DANNTKNYJOLFCM-UHFFFAOYSA-N 429.292 2.039 30 10 IEEE CC#CCCCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 768113725 OZRNCUJFVNBXHC-UHFFFAOYSA-N 434.558 2.345 30 10 IEEE C#CCN(C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCS(=O)(=O)C1 774195262 GLYORGHMNMBCNJ-MRXNPFEDSA-N 440.447 2.223 30 10 IEEE C#CCCOc1ccc(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 780407791 DELRKOUHXNLLQC-HSZRJFAPSA-N 435.572 2.444 30 10 IEEE CC(C)(C#N)CNC(=O)C[C@]1(C(=O)NCC(C)(C)C#N)CCN(C(=O)OC(C)(C)C)C1 782100781 JJFQBBMFSWMEJG-JOCHJYFZSA-N 433.553 2.336 30 10 IEEE Cc1c(NC(=S)NN=Cc2c(Br)cnn2C)c(=O)n(-c2ccccc2)n1C 782128179 NAAVPUFSUJEOLO-UHFFFAOYSA-N 448.350 2.301 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCCn2ccnn2)C1=O)NC1CC1 784125342 ONDWBRBNURSXQX-INIZCTEOSA-N 434.472 2.247 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)n1 790106245 ZOKABILPTPWVGL-CTNGQTDRSA-N 428.920 2.364 30 10 IEEE N#Cc1ccc(COC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1F 791297127 NSDVWPSRGGZSTO-UHFFFAOYSA-N 434.445 2.270 30 10 IEEE CCOC(=O)C1=C(C(=O)CC)[C@@H](c2cnc(-c3ccccc3OC)nc2)NC(=S)N1 793349801 XDKJHKWVTHRLSK-QGZVFWFLSA-N 426.498 2.467 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c1 800924557 ZNFGTXOTZQNYTO-UHFFFAOYSA-N 437.543 2.076 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 802600331 QBADFOJKKXZBGV-BZUAXINKSA-N 439.582 2.106 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c1 808122958 LGKGBLJVDSUSDE-CQSZACIVSA-N 442.497 2.156 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C1CCCCC1 808321214 QRZLPMMWTQZZBT-UHFFFAOYSA-N 447.601 2.430 30 10 IEEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 813563267 IRODOGMBVJVXMI-HNAYVOBHSA-N 449.536 2.331 30 10 IEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc(OC)cc3)n[nH]2)cn1 1084205624 HSEXJSCVJATBAW-UHFFFAOYSA-N 444.521 2.223 30 10 IEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCCCO)n[nH]1 1084365337 WUBCCDIOIKJAAQ-UHFFFAOYSA-N 442.549 2.056 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1127215830 PPQHUMUUHFHHJJ-QAPCUYQASA-N 427.505 2.488 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1137745154 YPUHRWNISXVSOI-FLIBITNWSA-N 425.460 2.200 30 10 IEEE C=CCOC[C@H](NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)C(=O)OC 1139175359 CBKGZVMLJVGXCS-AQZMIJIOSA-N 442.578 2.416 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)s1 1142176717 KYYRXRFYSZOVGQ-QGZVFWFLSA-N 433.599 2.488 30 10 IEEE COCCN1C(=O)CCc2cc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)ccc21 1155015392 CHAXYZSIASLJCQ-UHFFFAOYSA-N 445.472 2.301 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 1161353039 XVLUWHJIFBIDQA-KRWDZBQOSA-N 428.470 2.151 30 10 IEEE CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C(C)(C)C 1163923370 CZNBKVJOFZTVDG-FQEVSTJZSA-N 432.590 2.148 30 10 IEEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)COc2ccc(C#N)c(Br)c2)n1 1180556883 SNYGKVODISNGSG-DLBZAZTESA-N 446.305 2.184 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)CC1 1199983680 DVPQRTNRXYNUAA-UHFFFAOYSA-N 433.534 2.034 30 10 IEEE C#C[C@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 1212072157 LDAQHYOPWVPVPQ-IBGZPJMESA-N 446.912 2.247 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCN1C(=O)S/C(=C/c3cccnc3)C1=O)C2 1254481245 LOOAQOCRLUSESV-ABQTWSPHSA-N 433.493 2.456 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1286296928 STRGNRSYOBMGCY-DNVCBOLYSA-N 430.530 2.073 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@@H]1C 1286398058 SDRGPYMODIVHGH-SFHVURJKSA-N 438.963 2.419 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(C)(C)O)CC1 1286475041 VGPUDLHQGJTLGN-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286507790 LWMGETUMEYMGMI-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1286637969 QNLQAHWYFYKPTP-MOPGFXCFSA-N 438.642 2.413 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1288506068 FKBGAZPDFXPKPL-OAHLLOKOSA-N 444.561 2.146 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@@H]1C 1291326879 BPBQKILCSCFHAZ-HUUCEWRRSA-N 434.591 2.086 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(C)C 1292959109 TXGZKQBTMNKINW-LJQANCHMSA-N 432.569 2.498 30 10 IEEE CCn1cnnc1Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1295969070 OHOCADHZGAXVSD-NRFANRHFSA-N 428.541 2.108 30 10 IEEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCC(F)(F)F)cn1 1298817907 NYIQYFBZILHTQZ-HNNXBMFYSA-N 440.499 2.151 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)cc1 1300466355 WWSFWEBMLIVNBZ-OAHLLOKOSA-N 437.363 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(CS(C)(=O)=O)c1 1300596321 POIDMYANBRIBOI-HXUWFJFHSA-N 426.542 2.185 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1300673692 VOTLBLQKOJGSSV-UHFFFAOYSA-N 428.537 2.217 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](Cc1ccccc1)OC 1300780527 RYKHAQFGGYEVJX-ZWCUEREDSA-N 445.589 2.138 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1301297752 UWKWEGIKKFBDQL-GOSISDBHSA-N 437.541 2.005 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1301312713 KHEOLYKDHOIBAE-UHFFFAOYSA-N 439.564 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301578329 XKINZGVRXTVDJC-VQIMIIECSA-N 429.546 2.279 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCc2ccccc21 1301808239 BPBQZUQSIVKAMN-DEOSSOPVSA-N 432.528 2.464 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1316067847 CSBVVEHVHROILO-HXUWFJFHSA-N 434.548 2.122 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1316101682 MMLCMZSZBWLFTC-NFBKMPQASA-N 440.548 2.359 30 10 IEEE Cn1c(=O)c2cc(C(=O)N3/C(=N/Cc4ccccc4)SCC3(C)C)n(C)c2n(C)c1=O 1349952740 SVWILNXHGKCYKE-ATJXCDBQSA-N 439.541 2.100 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CC3(n4cnnn4)CCOCC3)c2)c1 1352298552 MPVMDAIXCMGDNH-UHFFFAOYSA-N 445.479 2.394 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)CCS(=O)(=O)c2cccc(Br)c2)c1 1354861972 KHQFSXIAOWLVOB-UHFFFAOYSA-N 449.326 2.349 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1csc(CC)n1 1358972062 RSYLXIIPFXGRMJ-UHFFFAOYSA-N 439.566 2.489 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1Cc1cn(C2COC2)nn1 1358998186 UUGIUCRLBJJJGJ-UHFFFAOYSA-N 445.527 2.094 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359053383 LIAGBJMYKIANEH-OAQYLSRUSA-N 427.530 2.351 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359125981 AWBIUNYQFPKMSF-LJQANCHMSA-N 427.553 2.453 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1OC 1359230457 UHWKGEYMXZTBOX-UHFFFAOYSA-N 429.521 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccn1 1359335766 UNTMSUNUOCWANY-HNNXBMFYSA-N 435.460 2.461 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359336687 YSOUDMBOLVBLOE-UHFFFAOYSA-N 434.610 2.128 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1359396431 ASJUTOBNWUUYSN-FQEVSTJZSA-N 438.532 2.356 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1360783708 QFNFXHONDYXGIQ-HSZRJFAPSA-N 446.515 2.391 30 10 IEEE COC(=O)c1cc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2s1 1436527103 VSAPECFGUJVDGV-UHFFFAOYSA-N 429.479 2.365 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455811948 DUNRUCCTQJKLHF-UHFFFAOYSA-N 449.573 2.412 30 10 IEEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 1460571145 QGIKQXFCKPKLRL-INIZCTEOSA-N 426.970 2.156 30 10 IEEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1460917976 WVFJIGLSDPWNDK-SFHVURJKSA-N 441.528 2.244 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCOC2(CCS(=O)(=O)CC2)C1 1460960462 KNTKEYDABGWCFP-INIZCTEOSA-N 437.587 2.156 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)C2=O)cc1 1478419788 DIMLPQUDQQXFEL-GOTSBHOMSA-N 447.539 2.120 30 10 IEEE CN(CC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1503536120 FCTHRUSKKWVCSN-UHFFFAOYSA-N 443.573 2.383 30 10 IEEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1504659703 MPVVJOUSAJPDPW-UHFFFAOYSA-N 436.476 2.238 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCc2n[nH]c(C)n2)c1 1507551685 YJBQVRUBWXZKMT-LJQANCHMSA-N 448.531 2.245 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1507572477 KUQBQTUKHMWHDG-SFHVURJKSA-N 437.548 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2cc(C)nc21 1507636683 IYLGUEUDKNTCJP-GOSISDBHSA-N 428.500 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@](C)(O)CCC)CC1 1507734202 ILOPLHVRPQNKHA-XMMPIXPASA-N 439.560 2.471 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507743871 LWUJIQPOEIEWMH-UHFFFAOYSA-N 429.594 2.148 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508061000 IDRPLVBYEKTZLW-JOCHJYFZSA-N 430.553 2.295 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1508090767 JUGYLINBTGXNMA-UUJYQVMHSA-N 431.562 2.019 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCO[C@@H](C)C2)cc1 1508100854 POIPEMFUVUKBNV-PKOBYXMFSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)[C@@H](C)C1 1508144761 UFFLJJXGEQHGMF-IRXDYDNUSA-N 428.562 2.210 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CCO1 1508374588 GYSQBJKZABPKQZ-RBUKOAKNSA-N 426.546 2.054 30 10 IEEE Cc1n[nH]cc1CCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1510444001 ULEDKRNMAOTQIZ-LEWJYISDSA-N 431.516 2.425 30 10 IEEE Cc1nc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1511564178 GSOBHDPVGIDNBW-SUMWQHHRSA-N 442.911 2.470 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1513016197 FQBYCSMZHUYVMM-FUHWJXTLSA-N 436.564 2.300 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCO[C@H]1CCCC[C@H]1C 1519450631 QXYAUNCGUUEWJE-RMMWZPCPSA-N 433.553 2.326 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 1525683559 IMISPTBOODXEGG-JKSUJKDBSA-N 439.468 2.272 30 10 IEEE C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1529441367 QLFVNWYHMMTQIS-NVXWUHKLSA-N 435.546 2.461 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1537011273 HIGYVYNCPJZECQ-UHFFFAOYSA-N 444.351 2.066 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 1538966387 YSGOTLDNGXOORF-OAHLLOKOSA-N 442.951 2.365 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1539140564 VFRRIJJWEWUZOZ-UHFFFAOYSA-N 430.597 2.045 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539140685 VSXPJLCYCSCANN-UHFFFAOYSA-N 449.552 2.175 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)OCCc2sccc21 1539409037 MGCJOIYYZWNIKP-OAQYLSRUSA-N 426.546 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1539477148 IVCOUWAONPMQDO-HNNXBMFYSA-N 438.498 2.006 30 10 IEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC 1539749615 BCVNRBKVFHLKMX-QGZVFWFLSA-N 439.557 2.262 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1539812915 SQRHSNHFCPITBW-UHFFFAOYSA-N 445.911 2.388 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C(C)C)N2CCCC2)CC1 1539874656 OASVNRUNONFDEE-IEBWSBKVSA-N 438.642 2.411 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1)C1CC1 1540094506 MUEPCZBDJCCQPL-QFIPXVFZSA-N 444.967 2.083 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCN(C)C1 1540133173 CRPDDIDOBZVPDT-JOCHJYFZSA-N 425.512 2.077 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540151002 BMKJBELWHJYVCW-SFHVURJKSA-N 439.564 2.263 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540867746 GGDVVSLUWFFUAB-INIZCTEOSA-N 442.951 2.492 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1555989623 CLBPYDUDMVBQBC-LJQANCHMSA-N 438.532 2.438 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)CC1 1558423302 QFKOSSOIQRRWKJ-UHFFFAOYSA-N 431.492 2.324 30 10 IEEE COc1cc(/C=C(\C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc2)ccc1O 1558511521 UDUDXNDXEFDEIA-SLHYHJCYSA-N 438.505 2.338 30 10 IEEE C=CCc1cc(CNC(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc(OC)c1OC 1563814686 JFQSLJICBPOKFW-UHFFFAOYSA-N 446.592 2.028 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 1564798921 UULILVRPIZTHQN-QHCPKHFHSA-N 432.524 2.331 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 1566410014 RCLAQYPDQZQMBJ-LBPRGKRZSA-N 445.277 2.299 30 10 IEEE CC(C)[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1Cc2ccccc2C1=O 1568504612 CWMLAARWTGMPAV-YADHBBJMSA-N 430.508 2.456 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1587640206 QCLCMDUANBRTHQ-ARFHVFGLSA-N 425.505 2.029 30 10 IEEE C#CCCCCn1c(CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1587770218 WSRJREHYBPGEGW-UHFFFAOYSA-N 425.562 2.036 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1587915821 STSMNVYASNQTCT-XMMPIXPASA-N 439.560 2.273 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccncc1 1588646917 PHQBBPWOGAHGIY-UHFFFAOYSA-N 446.559 2.176 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(=O)NC)c1 1588672768 HELWNHYDBHEGDO-UHFFFAOYSA-N 438.557 2.128 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCCOC)C1 1589053214 KDZBFZPJLXBVCF-MRXNPFEDSA-N 447.561 2.004 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCNC(=O)CC1 1589556318 BQAYRIXBYPBAMX-AVRDEDQJSA-N 425.533 2.207 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1593799718 BUTYLWDTDOUISP-UHFFFAOYSA-N 432.960 2.481 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595251419 SQYDPOLFNHQPPM-KRWDZBQOSA-N 444.561 2.383 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)c1 1596358788 KAPJLSXTJWNLEW-JKRPTORDSA-N 434.562 2.475 30 10 IEEE C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1612796661 HAFXJTCLKGYYQV-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE CC[C@H](C)[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)NCCN1CCOCC1 1614982522 LUZWSAOMEYZAJA-SIKLNZKXSA-N 440.588 2.349 30 10 IEEE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618131273 JKOIPIBXJICTAL-DTORHVGOSA-N 449.254 2.386 30 10 IEEE CNC(=O)[C@]1(C)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1618244850 RQYLMHWNFHAOCZ-WZONZLPQSA-N 426.517 2.377 30 10 IEEE Cn1cc(C[C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)C2)cn1 1618404853 DMSXYBYYRJRMJT-SFHVURJKSA-N 435.532 2.302 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1618717065 JEARQWRXQTUVIC-LJQANCHMSA-N 449.559 2.084 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1619423567 UQVPKNRNWHJJNR-UXHICEINSA-N 441.532 2.192 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)N1CCOCC1 1620002709 WOVKALDJCITBCO-XMSQKQJNSA-N 434.585 2.243 30 10 IEEE COCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1 1620039192 QJMPXYODQYDPTA-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CCOc1ccc(NC(=O)c2ccccc2CC#N)cc1S(=O)(=O)N1CCOCC1 1623499395 BMCXUUUAMPOGPO-UHFFFAOYSA-N 429.498 2.425 30 10 IEEE C#CCOc1ccccc1CNC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1631792077 AQZFIAJAIKPSCU-UHFFFAOYSA-N 434.540 2.395 30 10 IEEE COC(=O)[C@H](Cc1cncs1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1633892218 MAYNVVMDFCBKJT-KRWDZBQOSA-N 430.335 2.265 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)C1=O 1634109397 AADIBORKNWXASW-WMZOPIPTSA-N 446.552 2.099 30 10 IEEE CCOC(=O)c1cn(C)nc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1637972282 QSSUYQGNNKATGG-YZGUTLMUSA-N 431.493 2.322 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(C(F)(F)F)n[nH]3)CC2)cc1 1643218054 HXLYWDRJDZQAMI-UHFFFAOYSA-N 441.435 2.017 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 1643848196 DINQBGWABJPDPK-CYBMUJFWSA-N 430.486 2.214 30 10 IEEE C=CCn1c(SCC(=O)C2CCN(C(=O)C(F)(F)F)CC2)nnc1-c1cnccn1 1652706368 BFUQJHVKTCJJBA-UHFFFAOYSA-N 440.451 2.383 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccc(Br)c(F)c2)n1 1655207456 NYPAIZMMSCRXEO-UHFFFAOYSA-N 444.326 2.396 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1 1659720101 OHCBLXHFMZRKPO-XXBNENTESA-N 434.569 2.409 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Oc2ccc(Br)c(C#N)c2)CC1 1666612596 GXXJYEYKZLNGNH-UHFFFAOYSA-N 446.323 2.497 30 10 IEEE C=CC[C@@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccncc1 1679027293 WJPLETNLHLCSLO-HXUWFJFHSA-N 429.546 2.139 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1)[C@H]1CCCO1 1680314779 WZMBMIULFQNLNP-UWWQBHOKSA-N 425.323 2.089 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)C2=O)cc1 1682022362 YXBQMRXJAMTVSC-HFMPRLQTSA-N 436.487 2.169 30 10 IEEE C#C[C@H](NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccc(Br)cc1 1683681561 QVKCPVMDMBUGMF-KDOFPFPSSA-N 433.350 2.118 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1689971938 BGATWUWQADNVKQ-FQEVSTJZSA-N 437.548 2.184 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1689972162 HIBHNUVPEFSYKZ-QGZVFWFLSA-N 430.553 2.117 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1689991605 AJFBPPRLFMKDQR-HXUWFJFHSA-N 429.590 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1oc(CC)nc1C 1690017903 OGLTXIIKJQYSMS-UHFFFAOYSA-N 444.543 2.432 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1690101286 VWORZGQNYZOBGI-UHFFFAOYSA-N 448.531 2.399 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690203309 XVCFFTZTGLXOOS-WJONJSRFSA-N 430.553 2.477 30 10 IEEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1690532750 UUYBFMDKLGFMDM-QURGRASLSA-N 431.500 2.430 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690595219 QYXCBDLTEXWBSK-IPMKNSEASA-N 435.594 2.165 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)C1 1690700020 MPHOTVIXXWYZLT-RBUKOAKNSA-N 446.573 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690720364 GUHDESJUIPRMQY-GCJKJVERSA-N 446.573 2.239 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1690742036 DXWWECDXEPMFTP-JKSUJKDBSA-N 429.546 2.425 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)C1CCC1 1691866417 VJXHEGRMGWMNSN-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cc1 1697407103 BWKFZSPQLPPAEZ-LJQANCHMSA-N 440.548 2.105 30 10 IEEE C#CCCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705522034 SSRJGWZAWBUQPT-NFBKMPQASA-N 426.565 2.299 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705536308 MXPUPNLNFAQDRO-FQEVSTJZSA-N 449.603 2.247 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1705562288 ZLVKCEMFQAWVBD-ZBFHGGJFSA-N 432.575 2.176 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1705638813 XMTKFPOLWYIJJZ-GOSISDBHSA-N 428.487 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(=C)c2ccccc2)CC1 1705643989 WWSULXLRUYZQFP-UHFFFAOYSA-N 434.544 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1705645258 PDNUJQKHOGMFCO-MRXNPFEDSA-N 432.569 2.198 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705726644 XELJQGFGTNYYKE-UGKGYDQZSA-N 437.592 2.219 30 10 IEEE C=C(Cl)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760300 FYBJHOXXVCDLMM-LPHOPBHVSA-N 447.001 2.475 30 10 IEEE CC(C)(C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706104034 OCZYRDNJRVSXSS-VRTBNJGNSA-N 442.564 2.233 30 10 IEEE CC(C)Cc1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706403984 VHFVBYPLLDAPAK-FMQUCBEESA-N 428.537 2.010 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)N(C)C)CC2)c1C#N 1707807512 CILLJTSYUMZGJP-INIZCTEOSA-N 427.601 2.057 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)n1 1707815793 QZSCGLAVGUHBQA-LEWJYISDSA-N 435.532 2.188 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@H](C(F)(F)F)O1 1708180650 AOLVVDIFSSPTLS-BLLLJJGKSA-N 432.410 2.150 30 10 IEEE C[C@@H]1CSCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1708268976 AVJICHDNNGLTDS-MVZUJROASA-N 430.578 2.479 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CCO1 1709551531 IWLHHHXNPZNYSH-IBGZPJMESA-N 446.577 2.151 30 10 IEEE CN(c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1711044505 ZUDHSGSZXFIBBX-QURGRASLSA-N 436.516 2.415 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nnc(C)s1 1722292599 AEDVCCQEIBJGPX-OAHLLOKOSA-N 437.577 2.313 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1722308164 GZFDKDLUFSIAFS-OAHLLOKOSA-N 433.534 2.057 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1722366809 KRSWDDNEAOYYFU-MOPGFXCFSA-N 446.548 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2cccnc12 1722396815 LJNQPTIQDQJUNR-HXUWFJFHSA-N 433.537 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722398529 BLYKLPIRQZPNLI-UHFFFAOYSA-N 439.585 2.430 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSC(F)(F)F)CC1 1722433338 RFDLZFIUMDZHTF-GOSISDBHSA-N 447.527 2.327 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722463466 CYAPQJUGJYJANL-UHFFFAOYSA-N 427.574 2.072 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1722466615 AXXYZJMVMYGBQY-HRAATJIYSA-N 430.578 2.253 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(N(C)[C@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1727486457 SCFLYOJJHRRDAN-OPAMFIHVSA-N 445.568 2.410 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1731188738 IDOCGQOMGCUWFZ-KRWDZBQOSA-N 435.454 2.343 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCCS(C)(=O)=O 1740635416 JDSHTWRPXNBNEG-UHFFFAOYSA-N 442.585 2.377 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccn(CC)c1=O 1740636123 VNZMYTUHHLCPGW-UHFFFAOYSA-N 431.496 2.265 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCCCC2)CC1 1740697191 VEVQINSRHBXLRO-UHFFFAOYSA-N 438.551 2.166 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1740699975 AVEPOLWARYKCFX-UHFFFAOYSA-N 431.924 2.043 30 10 IEEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740889359 MSABBLLGKCIRBL-ROUUACIJSA-N 425.599 2.389 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1740900754 XYAFCSDAZRWKBN-IBGZPJMESA-N 449.577 2.070 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1740926193 GJZHQNOZIKZWNC-OAQYLSRUSA-N 440.596 2.046 30 10 IEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740948875 OALQLGSOYDWYAU-FQEVSTJZSA-N 438.532 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1740959453 WEHRRNLVJPKEIL-GOSISDBHSA-N 439.907 2.269 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccccc2F)C1 1740962057 REDGTWRJDWLLJQ-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](NC(=O)CC)C1 1740963504 MTIUHRPSUXEPRJ-IBGZPJMESA-N 449.559 2.078 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cnn(C)c1C 1740988465 FMHDNIRMXOTAHI-UHFFFAOYSA-N 444.561 2.233 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1741868846 DRWIQXSYBAYJQQ-HRAATJIYSA-N 426.500 2.099 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCO[C@@H]2CCOC2)n1 1742703400 JJQPTYVHFUNLKK-KNQAVFIVSA-N 427.553 2.465 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)c1=O 1746363591 CVYJTWCMKXDXBA-DYESRHJHSA-N 448.527 2.287 30 10 IEEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)c1 1748458272 MWHFMEVQAVAVSP-MRXNPFEDSA-N 426.521 2.336 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748726260 CZUURSMGRCJCLB-VQIMIIECSA-N 430.480 2.160 30 10 IEEE C#CCN(c1nnc(C)n1Cc1c(F)cccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748806118 ZNRULTDDBBCMSY-QGZVFWFLSA-N 431.537 2.001 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1748913075 PESCLNYTZCAXIW-RCRUUEGKSA-N 430.574 2.317 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1748979988 VOSZJOXIQBQXLL-NRFANRHFSA-N 429.528 2.468 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1748993793 MCOQJOGYMOEZDS-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C 1749022617 LFAZLYPCJJISJI-CVEARBPZSA-N 433.603 2.378 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749039229 QWDKMOYIIXEWDR-RTBURBONSA-N 429.594 2.273 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1749187907 WKDVCSDPTNKNHZ-UHFFFAOYSA-N 437.479 2.178 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749220608 LHMKTMCPGZDLMY-LJQANCHMSA-N 425.537 2.287 30 10 IEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCCC)CC1 1749341291 DEMXXEIXQASZRZ-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1749971651 LWTQPWLWBQEWDX-OXJNMPFZSA-N 441.598 2.345 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1750076658 QNEJRTDHSMVPJT-PKOBYXMFSA-N 425.537 2.048 30 10 IEEE CC(C)OC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1751034301 KHEPYYUJIRXUKJ-VZCXRCSSSA-N 439.520 2.193 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1760099908 NWRACGYAXLRVHH-DVECYGJZSA-N 439.560 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1ccco1 1760114157 HOYIQLODICSALH-AWEZNQCLSA-N 431.456 2.075 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCN2CCSCC2)c1 1760126112 QAMKRNIUCIDNFK-UHFFFAOYSA-N 449.584 2.378 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)[C@@H](C)CC 1760165381 QEOZBDMJLIVCKU-YCRPNKLZSA-N 432.594 2.413 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1760190281 ZISHFOQKPPQOKP-ABSDTBQOSA-N 438.619 2.432 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCc1cnc2c(Cl)cnn2c1 1760246701 ZLOFGPBPMLUNEY-UHFFFAOYSA-N 438.923 2.308 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)CC1 1760318850 PYDQQKADKGIFCR-HRAATJIYSA-N 441.532 2.270 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCNC(=O)C(C)C 1760324747 MELOMZQKOBDXRT-RXVVDRJESA-N 426.565 2.454 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1760329799 KXEHXDAHUGYSHP-FQEVSTJZSA-N 426.583 2.157 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760359842 WQRUEQGGBODMQT-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760407499 FPSOUPXIJHYMBA-OALUTQOASA-N 430.597 2.273 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc2c1OCCCO2 1760506003 XFEMMPXULOSZLY-UHFFFAOYSA-N 441.532 2.249 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)C1 1760549282 ATQZPEOOTPIERC-WIYYLYMNSA-N 434.924 2.443 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)[C@@H](C)C1 1760618850 PUSPLRKFZQBTCL-LLGFUMIMSA-N 438.532 2.211 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CCOC1(C)C 1763272486 ADOBQQZAWKVLGN-HKARXFIJSA-N 441.532 2.272 30 10 IEEE COc1ccccc1OCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(C#N)o1 1768968336 UNGQTFYADYXGPU-OAHLLOKOSA-N 436.472 2.046 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1769124479 DWQQEMUPCXDRNG-MOPGFXCFSA-N 440.548 2.219 30 10 IEEE COCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)cs1 1769372338 BMVWUIQXIUVHNJ-CYBMUJFWSA-N 426.506 2.172 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OC(F)F)c1 1771187238 DAEWTTBEUVVATD-YJYMSZOUSA-N 440.426 2.489 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCc4oncc4C3)n2CC(=O)NCC(F)(F)F)cc1 1771532721 KVDIPYYDYLKAQC-UHFFFAOYSA-N 431.378 2.046 30 10 IEEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1771535702 WKHLMAZCDPYBDP-OAHLLOKOSA-N 435.500 2.322 30 10 IEEE COC(=O)[C@@H]1C[C@H](CCC(=O)ON2C(=O)c3ccccc3C2=O)CN1C(=O)OC(C)(C)C 1772789114 PRIYQCNYLNFMCJ-BBRMVZONSA-N 446.456 2.320 30 10 IEEE N#Cc1cc2c(cc1CC(=O)Nc1ncc3c(n1)CCN(C(=O)c1ccccc1)C3)OCO2 1851268800 AAFXAKJROOBZJP-UHFFFAOYSA-N 441.447 2.457 30 10 IEEE N#Cc1cc2cc(I)cnc2nc1NC(=O)CCN1CCCCO1 1851669376 JSFWAQNPMBABQK-UHFFFAOYSA-N 437.241 2.462 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1snc(N2CCOCC2)c1C#N 1852370587 MFSHQZDXVDUGCG-ZDUSSCGKSA-N 429.477 2.006 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccccc45)C3)CO2)nc1 1853303759 RPVCXUDWXJSZOD-RTBURBONSA-N 445.479 2.189 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)cc1Cl 1853782361 VKRHXJPAKBDWPR-UHFFFAOYSA-N 447.900 2.202 30 10 IEEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1857034107 LPRVIVJSZBWDCC-SJORKVTESA-N 426.542 2.387 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1 1858642945 HWZFTQGTSMMSGL-UHFFFAOYSA-N 442.291 2.146 30 10 IEEE COc1ccc(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)c(OC)c1 1860833539 BSULOETVJSCDRI-UHFFFAOYSA-N 448.439 2.290 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(C)c1 1874433777 XSDNYPLINSIGDM-AUEPDCJTSA-N 426.502 2.106 30 10 IEEE COCC#CC[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892259014 CYLNXMFHQCVAKM-JCOAXYOVSA-N 441.505 2.377 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 1899553221 GMYXESZELMUKAA-AWEZNQCLSA-N 428.275 2.253 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)C#CC1(S(C)(=O)=O)CC1 1902441173 HMRRYIIWCGAXLB-SFHVURJKSA-N 434.558 2.161 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2009848535 CEWAYOMWZRPMHW-SPLOXXLWSA-N 441.525 2.426 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2010405526 ZHJTVLBTUBRMPQ-XGUBFFRZSA-N 426.319 2.008 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2044526112 RYQZKPQYVQHPAM-LJQANCHMSA-N 432.370 2.399 30 10 IEEE CN(C)CCN(CC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)C(=O)OC(C)(C)C 2060636980 FLHWVCFLUBPMGL-HOTGVXAUSA-N 437.390 2.336 30 10 IEEE COCCN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@H]1CCOC1 2172785244 JKMZAYKSVCJLGX-AWEZNQCLSA-N 427.148 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CO)(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 2216312570 YNWDQSUDWFNFJK-QGZVFWFLSA-N 438.569 2.441 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216458250 DXIJJUXZLYPAKB-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE C=CCC1(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2244276115 PZKUKYIZFGYXRV-FQEVSTJZSA-N 427.542 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247817930 RICYCJBSRVNMTH-UONOGXRCSA-N 438.355 2.069 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)B1OC(C)(C)C(C)(C)O1 2247901398 KCJAEKQDMWWOLI-HUUCEWRRSA-N 448.366 2.441 30 10 IEEE C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247922660 LKBYDZBZHLGCBK-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248416415 RRXFEWMCTXKYGH-CQSZACIVSA-N 440.371 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2250272493 OLUBBDAMAHSROJ-QWHCGFSZSA-N 437.371 2.475 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2252818749 WJIBTAKILXVPBQ-CQSZACIVSA-N 426.294 2.438 30 10 IEEE CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255656577 CMQHMGIIBCXCJA-UHFFFAOYSA-N 437.321 2.439 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2255878125 SRRZPLPTTFDKLE-GASCZTMLSA-N 429.326 2.215 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256621278 SEBMWNLMHZOVGU-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE CO[C@@](C)(CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267188370 LCNAQBYVUBOJPJ-QHCPKHFHSA-N 443.353 2.071 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267213684 FWICIEPUMNCWCV-PHZGNYQRSA-N 443.353 2.224 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 2267275659 QNZFLGCLALLISJ-JQHSSLGASA-N 445.369 2.452 30 10 IEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCOC1 2267285309 GRMIQNZEQGMBBN-XMMPIXPASA-N 439.365 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267871784 PTOXAUQWCCQVAO-UHFFFAOYSA-N 444.341 2.001 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267875016 CSGLOXAAHVMOLE-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881612 JADRQAUIVTXJFI-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268634150 GSYWXNIXONRERI-PBHICJAKSA-N 446.353 2.149 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)cc1 2329258515 PMRCPQMDTJNPLK-UHFFFAOYSA-N 425.470 2.035 30 10 IEEE CC#CCN(C[C@H](N)c1c(Br)cnn1CCN(C)C)C(=O)OC(C)(C)C 2337911363 FDMVKQHRHPGBAM-HNNXBMFYSA-N 428.375 2.467 30 10 IEEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@](NCCC#CBr)(C(=O)O)C1 2349189878 XAMGWWGQBYVRLQ-ZWKOTPCHSA-N 431.327 2.335 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1 20806142 XTSYYDKEESNGLR-LSHDLFTRSA-N 443.464 2.094 30 10 IEEE C[C@@H](C(=O)N(C)CCC#N)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 96966370 DZCKTZFNBDDTMW-HNNXBMFYSA-N 425.455 2.022 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1C1CCC1 431019635 RFECUYVZWAMZGS-UHFFFAOYSA-N 436.562 2.358 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(c3ncc[nH]3)CC2)CC1 467154455 ZKHRGSYWVSYSNY-UHFFFAOYSA-N 435.488 2.058 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CC2 471700620 LCOXORZNALUTJV-AWEZNQCLSA-N 447.465 2.171 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)NC(=O)NCC(F)(F)F 477933582 DKTWLOCQWRZTED-ZDUSSCGKSA-N 448.515 2.361 30 10 IEEE COc1ccc([C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)N2CCOCC2)cc1 478131412 IDWYXEAYOBAZHJ-OAQYLSRUSA-N 433.505 2.199 30 10 IEEE COC(=O)c1ccc([C@H](NC(=O)N(CCC#N)CCN2CCOCC2)C(F)(F)F)cc1 482450390 JDGUELBLBSHJTI-KRWDZBQOSA-N 442.438 2.334 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1F 488883195 FNGFFQQAEVMNAT-UHFFFAOYSA-N 427.417 2.328 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H](CN4CCCCCC4)C3)n2)cc1 491283931 NHERDOVQQRRVNY-NRFANRHFSA-N 449.559 2.251 30 10 IEEE CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492938949 WZGALCSJNNFJGA-AZUAARDMSA-N 434.562 2.025 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 498372594 HFZPTRSSTARIMZ-DYXWJJEUSA-N 429.590 2.174 30 10 IEEE C=CCN(C(=O)Cn1cc(Br)ccc1=O)c1nc(C(=O)OCC)cs1 501950339 UKBUKKZICVJDOZ-UHFFFAOYSA-N 426.292 2.463 30 10 IEEE C[C@@](C#N)(NC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F)C1CC1 507419091 GRJZMDUUYHIACM-GOTSBHOMSA-N 425.508 2.245 30 10 IEEE CC(C)CN(C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 507822852 JTGUJZXQOVMQRN-LJQANCHMSA-N 433.574 2.073 30 10 IEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508797968 QDMZIYFVQIOGRC-HOCLYGCPSA-N 440.483 2.275 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1-c1ccccc1C 519216310 HAHZZWOJERNNCJ-UHFFFAOYSA-N 433.508 2.460 30 10 IEEE C[C@@H](C#N)CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CC1 533599567 WXERAJHIQKXWLV-INIZCTEOSA-N 447.557 2.399 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 554797855 ALLSWGCCJBYTAQ-UHFFFAOYSA-N 447.582 2.296 30 10 IEEE C=CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(F)(F)Oc1ccccc1 564382953 RLMUEAZTPCPKFL-SFHVURJKSA-N 446.502 2.335 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)c(Cl)c1 727416385 NJRBWOOHYOPASL-UHFFFAOYSA-N 443.887 2.410 30 10 IEEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@H]1CCCO1 730138162 BPEUXBQXULCHJQ-ZWKOTPCHSA-N 432.590 2.482 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n([C@H](C)c3ccccc3)c2=O)cc1[N+](=O)[O-] 730251517 GQTQOJXDCUNNGU-CQSZACIVSA-N 432.461 2.463 30 10 IEEE COc1ccc([C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N2CCCCC2)cc1 732438665 ANHCKOGKPSPTSQ-XJUMHSELSA-N 441.532 2.048 30 10 IEEE CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 749081914 FHLUHHHPMWWZCM-CHCQKQNDSA-N 439.560 2.365 30 10 IEEE C[C@@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)Nc1cccc(C#N)c1 750421233 JFJMWZAAEGTYQG-LLVKDONJSA-N 441.245 2.480 30 10 IEEE C#CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1C)[C@H]1CCS(=O)(=O)C1 753227438 YBDLYIPLPNEQAP-LBPRGKRZSA-N 443.319 2.198 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(CC)cc2)C1 760304743 LLHMVYLGVZFRJW-IRXDYDNUSA-N 431.562 2.120 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)CC1 764038984 YTFASJSEOOTRCL-RDYUPDBUSA-N 438.550 2.178 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)c2)o1 779200929 AABFYVGQNPRQOX-UHFFFAOYSA-N 426.454 2.057 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1O 785659494 ZAEBFFFZKLQKKH-UHFFFAOYSA-N 429.376 2.358 30 10 IEEE C=CCn1c(Cc2ccccc2)nn(CN2CCC(CNS(C)(=O)=O)CC2)c1=S 795668559 BTWVCWDXLXQPPO-UHFFFAOYSA-N 435.619 2.410 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H](c2cccnc2)C1 800167138 AWPRTBUCGNRNGA-QGZVFWFLSA-N 429.502 2.331 30 10 IEEE COCC[C@H](COC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 810168476 CYZYFVVDRMNQFL-QIDKZVQTSA-N 440.566 2.453 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1)c1ccc(Cl)cc1 810473246 HXYDJEYMQIPWGV-KRWDZBQOSA-N 428.828 2.342 30 10 IEEE COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)ccc1C#N 810865387 AUZBUNPTDYDQKP-UHFFFAOYSA-N 448.932 2.332 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)c1 812918258 DSAJBYSTQSIXIP-XKBVJOOISA-N 432.468 2.465 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)CCCN1C(=O)OC(C)(C)C 856711603 ZVEPBHIXGLBQBN-GOTSBHOMSA-N 446.548 2.321 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(F)cc1OC(F)F)c1cc[nH]n1 1138003771 YWTHWGGMHBHGHL-SNVBAGLBSA-N 428.367 2.311 30 10 IEEE Cn1c(S)nnc1[C@H]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1144807677 IBBXNLAGYWIBCM-INIZCTEOSA-N 433.578 2.460 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1157760611 MZXWJCFZGHPXOQ-HOTGVXAUSA-N 432.546 2.034 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)C1 1171219894 RNHUVLGTGFTVLZ-DVECYGJZSA-N 439.560 2.186 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 1277265786 LUJRGCUQRCTQML-INIZCTEOSA-N 437.008 2.255 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cccnc2OC)c1 1286311027 CLFPVTSQWLJGTN-UHFFFAOYSA-N 434.500 2.323 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1286385902 QVNLRPYXWQLKIN-HZPDHXFCSA-N 435.525 2.031 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286390130 XRCBLLRAPYHOHJ-FQEVSTJZSA-N 442.585 2.448 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286392837 HOEXBBHBVRMTAM-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1286504549 NPDLMMMMMONJNJ-ROUUACIJSA-N 429.521 2.313 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 1286506455 UZVTZGUVKHBKLU-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286507364 YYNQTQKZTHSEPG-MJGOQNOKSA-N 430.578 2.333 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C 1286533704 KACHSFOKYVNIDX-GFCCVEGCSA-N 435.282 2.429 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286627793 PWZWYEYYNRHRNM-CQSZACIVSA-N 434.928 2.451 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286785503 MJHBLLVJKNGZKY-INIZCTEOSA-N 441.536 2.136 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1286796618 OBDMEYHDYSFYOP-ZWKOTPCHSA-N 432.546 2.018 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1287128583 GGCWNBJSOQCZIJ-WOJBJXKFSA-N 449.559 2.226 30 10 IEEE C=C(C)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1288354296 IIGFQAVXVRTRDO-HNNXBMFYSA-N 447.351 2.084 30 10 IEEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1291378537 IOGMIZLLEDHXBC-JOCHJYFZSA-N 428.537 2.241 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccc(O)cc1 1296127594 RIIILAXKYZZQFL-SFHVURJKSA-N 444.285 2.493 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4nc(O)n[nH]4)C3)C2)C1 1297025568 WBFVBGCKOOGFDP-NSOWYUBSSA-N 430.509 2.003 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccncc3C(F)(F)F)C2=O)cc1 1297167904 QNKUKVFTAGZYFL-MRXNPFEDSA-N 431.374 2.493 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2ccco2)C1 1298096509 CCXAVFAGUSCWCS-SFHVURJKSA-N 440.529 2.295 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300381935 XLQNJIIHELKHSF-SFHVURJKSA-N 437.548 2.028 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300411150 GBAVWYPMDYNTBY-UHFFFAOYSA-N 444.530 2.207 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1300458999 OOLFFNOPYWAWFO-SFHVURJKSA-N 438.557 2.100 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1c[nH]nc1C 1300536362 WBRSOPGNXKYUPX-UHFFFAOYSA-N 443.559 2.189 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)nc2)CC1 1300703309 FYWIKMGMTFXXOB-UHFFFAOYSA-N 427.965 2.486 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC[C@@H]1C 1300840777 WUSAPRWPBBVFHI-VRXWPRPYSA-N 441.532 2.130 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCOCC(F)(F)C(F)F)c1 1302987149 MXOWFYQNPNDEMB-UHFFFAOYSA-N 440.401 2.060 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CC1 1305534681 SEEWCZKDHCIWRG-BEIWTESXSA-N 427.578 2.296 30 10 IEEE CCOC1CC(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1314240589 QDNQBHQVFVVIBN-CQBQZOKZSA-N 446.596 2.038 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315811323 FXKWTESRQSLNPQ-DOTOQJQBSA-N 444.511 2.123 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCCCC2=O)CCO1 1316539681 FPXYRSOQNULCNI-QGZVFWFLSA-N 442.495 2.128 30 10 IEEE C#CCN(C(=O)Nc1cccc(I)c1C)[C@H]1CCS(=O)(=O)C1 1325114218 QJRUQQSMKSBEBE-LBPRGKRZSA-N 432.283 2.254 30 10 IEEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1351451670 VHOGGMBLLDHENA-SAIXKJTDSA-N 437.861 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1358887208 RLXLWXVNEPLPHJ-IRXDYDNUSA-N 436.516 2.495 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1358967136 DYDFPZXOSWGPKH-SFHVURJKSA-N 444.488 2.264 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1358999373 PABZGIRHHIGHKK-KRWDZBQOSA-N 429.546 2.041 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(O)(CC)CC)CC1 1359046386 PPZMRFDWGQMPRG-UHFFFAOYSA-N 429.590 2.447 30 10 IEEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)NC)CC1 1359181073 DHSMNJJURVQOID-UHFFFAOYSA-N 428.562 2.233 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)NC)CC2)cc1 1359307192 DCAJPEFFWZSPQV-LJQANCHMSA-N 440.548 2.247 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1359314572 DCFCJQJKEKPLMP-CRAIPNDOSA-N 447.517 2.069 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1359472161 GZTQGSWQNHLVHX-SJORKVTESA-N 447.584 2.467 30 10 IEEE CC(C)COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1360065973 DMZCCRIEWVUYCX-APWZRJJASA-N 426.587 2.081 30 10 IEEE N#C[C@H]1CN(C(=O)CN2C(=O)C(F)(F)Oc3ccccc32)CCN1Cc1ccccc1 1360326729 HXQSIPLOEISBBP-KRWDZBQOSA-N 426.423 2.241 30 10 IEEE C=CCn1cc2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2n1 1439610437 FFMAQNUEIJVJPU-UHFFFAOYSA-N 441.513 2.440 30 10 IEEE CCOC(Cn1ncc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1N)OCC 1443660652 FKNNRDIRGIZQTI-UHFFFAOYSA-N 427.505 2.420 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC 1454717278 ZUUMSSMFWGATMQ-GFCCVEGCSA-N 443.736 2.462 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c2cc(Br)ccc12 1462894918 GVMDZIFOQIYAKL-GFCCVEGCSA-N 433.349 2.294 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1464564498 YVRYHDJNZBRLDU-IBGZPJMESA-N 433.917 2.066 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(C#N)cn1CC 1466880512 GDPFLBJYWDLBLI-IAGOWNOFSA-N 428.493 2.410 30 10 IEEE COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1469822055 OHKFPANQHWUZFC-UHFFFAOYSA-N 444.532 2.163 30 10 IEEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 1471092152 UAVAMDXVZTZVOL-UHFFFAOYSA-N 442.541 2.262 30 10 IEEE CN1CCN(CCn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1503686058 JSYITDSOZLZQDJ-NRFANRHFSA-N 431.585 2.398 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(S(C)(=O)=O)cc1 1507538600 VCAKBFXUKUKNKJ-QGZVFWFLSA-N 448.552 2.426 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@]2(C)CN(C)C2=O)c1 1507549868 ANKUJYNZDSMBMT-XMMPIXPASA-N 434.544 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1507646377 TVNOKYPHMHQDQC-FQEVSTJZSA-N 448.571 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OCC)c1ccccc1 1507669189 JAFVWJGDPJDBOC-SFTDATJTSA-N 440.569 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2csc(C)n2)CC1 1507739510 IPOQRVFRZICRSW-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccccn1 1507749640 VLXKKWRJHCRAJU-UHFFFAOYSA-N 431.529 2.319 30 10 IEEE CCSc1cc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)ccn1 1516880657 CKBXWMNLGPRPJA-DOTOQJQBSA-N 432.550 2.286 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(-c3ccccc3CC)nn2)c1 1518826805 OSLGMUWUNUQKQK-UHFFFAOYSA-N 443.507 2.317 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1524147332 KFTCIXFGRROTRH-UHFFFAOYSA-N 425.485 2.350 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C)n(C3CCOCC3)n2)c1 1535252374 CABBOBWLYIZBQQ-UHFFFAOYSA-N 436.512 2.030 30 10 IEEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1536179920 OBCSIUAUUZNCGB-GTNSWQLSSA-N 442.394 2.041 30 10 IEEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1538887113 JFWSUMIXDFPZBW-CQSZACIVSA-N 444.962 2.419 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCO[C@H](C)C2)CC1 1539461528 GYPJYUOBRYSLJM-UXHICEINSA-N 439.560 2.436 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539526360 NSGFEXLZROHOPJ-LJQANCHMSA-N 438.605 2.309 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCN(C)C1 1539540119 HEMARCQPWLPURC-DHIUTWEWSA-N 425.533 2.021 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1539751289 KEHPOVRKQORWLU-QZTJIDSGSA-N 426.583 2.026 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1540007247 ZRGGBZSWJRPGKF-SJORKVTESA-N 437.610 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540866810 BARKYSDCGAAJFB-HNNXBMFYSA-N 425.411 2.023 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1540895542 UVBJWDYWNSSYIR-DENIHFKCSA-N 441.557 2.378 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCc2cnn(C)n2)CCOC1 1541725133 DIZJCIZYMBVLLY-QFIPXVFZSA-N 442.568 2.210 30 10 IEEE C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1541858783 NUTRTPXVULOXCH-BTYIYWSLSA-N 434.466 2.310 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547680135 CKZVOKPNVJLEOB-TYPHKJRUSA-N 445.612 2.053 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1CCCCO1 1548169240 DHKPBRPPQQZCKG-GOSISDBHSA-N 442.568 2.014 30 10 IEEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1554570954 OPKSCJREOZNFSQ-OAQYLSRUSA-N 429.546 2.257 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br 1557364759 XYUBGOIUSCWJBK-XJKSGUPXSA-N 427.364 2.191 30 10 IEEE Cc1nc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)nn1-c1n[nH]c(C(F)(F)F)n1 1557923760 SUPPHVLROSDAAE-UHFFFAOYSA-N 446.393 2.020 30 10 IEEE C=C[C@@H]1OCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O 1559843136 RQLQWRGFNFUFLE-FHMALFGCSA-N 445.541 2.171 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)CN2CCOCC2)CC1 1588791200 OWWOUAXNNDNNIV-LJQANCHMSA-N 442.995 2.322 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1588983542 AFTMOBTYUYUAMG-DOTOQJQBSA-N 444.536 2.137 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1589150841 MALYODLGZUVPGX-LAUBAEHRSA-N 430.578 2.017 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1593788600 AXQGRMJKSYVTAM-IBGZPJMESA-N 425.533 2.356 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1596789050 FFDYNEYVRRWTOH-HUUCEWRRSA-N 429.550 2.208 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1596813249 GNKKLEVYDUPUHU-MRXNPFEDSA-N 434.548 2.272 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1611319470 HFSYUERDVKWMTN-OAGGEKHMSA-N 431.541 2.367 30 10 IEEE CNC(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1618817310 YIOYXYUWVXSGIU-DMPWYTOCSA-N 445.568 2.315 30 10 IEEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1620167003 PRSOQXXEAXJOQT-UHFFFAOYSA-N 441.557 2.382 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1622115622 IEAPHUVKKRXEEE-FGZHOGPDSA-N 442.537 2.488 30 10 IEEE C=CCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1622332651 QCXUMGAOIXYBRJ-OLZOCXBDSA-N 428.473 2.136 30 10 IEEE C[C@@H](CN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1nn[nH]n1 1633482304 AHMRDFPDYKPHSY-GUYCJALGSA-N 425.493 2.168 30 10 IEEE COc1c(Cl)cccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1638718313 YDJHIXDGAFHXMD-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCS(=O)(=O)[C@@H](C)C1 1639207179 UJPZABPPHOXIPB-AAEUAGOBSA-N 445.335 2.180 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1 1639961714 GWCIEDAIJISCKX-IBGZPJMESA-N 442.520 2.260 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2nn(C)cc2I)C1 1640218922 MXXDGOQTLPAKKZ-AWEZNQCLSA-N 435.269 2.247 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(CN3CCCCC3)cc2)c1=O 1641326036 UEXNWYHCRXNWFP-UHFFFAOYSA-N 438.528 2.258 30 10 IEEE CS(=O)(=O)[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H]1C(F)(F)F 1641385819 QZPZSUYBVGTHNE-HZPDHXFCSA-N 445.463 2.147 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1Cc2cccc(C#N)c2C1 1644201814 CCRXXYLXMXSCJE-IBGZPJMESA-N 445.928 2.287 30 10 IEEE C#CCN(CC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21)C(=O)OC(C)(C)C 1644423546 LUZLTCMYQZRJEM-NHCUHLMSSA-N 427.545 2.359 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(=O)c1ccc(C#N)cc1)C2 1649219306 GCYQSJIYEGWNAH-BHIYHBOVSA-N 426.517 2.440 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1649538278 QCUSERZXZSUZGW-MZKRTTBSSA-N 433.597 2.278 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br)[C@@H]1CCCO1 1655041564 WLERTEPFXCFIHD-KBPBESRZSA-N 430.320 2.393 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cnn(C)c1I 1663828305 IIKUUVFTNPXTTI-ZDUSSCGKSA-N 431.299 2.490 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)NCc2nn(C)cc2I)cc1 1668210211 MDIUYJXGZQMFOV-UHFFFAOYSA-N 439.257 2.262 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)nn1 1673802642 IROSZQSCJCUMPC-MOPGFXCFSA-N 448.568 2.458 30 10 IEEE Cn1cc(CNC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c(-c2ccc(C#N)cc2)n1 1681499143 HYDLGJRHSAJWHH-JOCHJYFZSA-N 445.527 2.054 30 10 IEEE C#C[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1682357161 ULDOSKXJMBOOFE-QZTJIDSGSA-N 435.546 2.084 30 10 IEEE C=CCn1cc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)nn1 1686847904 IUJYEWJDPFXJRB-GDBMZVCRSA-N 428.459 2.329 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689992318 JHIJKJUNWIJULK-GOSISDBHSA-N 428.558 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CS(C)(=O)=O)CC1 1690012284 XVPXVDOEHIOCGI-UHFFFAOYSA-N 448.552 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1690042012 QJMOGRYGVYKHAB-FQEVSTJZSA-N 441.543 2.304 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1690242988 GBXGVYOAYHOLMA-CTNGQTDRSA-N 425.533 2.221 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690646335 QJRYXUZBOCEFGS-UHFFFAOYSA-N 442.520 2.100 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCN(C)C2)C1 1690711806 IOLZGXMZEUOSOC-XUZZJYLKSA-N 441.576 2.322 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1690742385 OTSICULYUOVPBT-OAHLLOKOSA-N 432.550 2.030 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(F)cc2C)CC1 1705648261 UPUMLFAPFXONNJ-UHFFFAOYSA-N 447.518 2.391 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705709795 DOJYJCRXIUBEOW-SQGPQFPESA-N 441.598 2.019 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc(Cl)cn2)CC1 1705763582 YNEHRFYWQVTWFO-AWEZNQCLSA-N 440.957 2.172 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1705805376 FXXULCVDADBOJJ-GOSISDBHSA-N 431.562 2.272 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705810046 LWOARVVSCDRMFU-UHFFFAOYSA-N 441.536 2.176 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC[C@@H]2C)C1 1705919111 XMRDCXFWWMRLGE-RBUKOAKNSA-N 427.549 2.456 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1706937299 IHQLWRMIBGJJQG-GOSISDBHSA-N 430.553 2.193 30 10 IEEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)cnn1CC(C)C 1707023754 XRUPQROUQISXTH-UHFFFAOYSA-N 432.532 2.352 30 10 IEEE CCc1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709138012 OSRQWCMNTHPHCW-FCQUAONHSA-N 449.559 2.310 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1709423351 SYLDSNXRBZAIIB-XMMPIXPASA-N 449.559 2.180 30 10 IEEE CCC[C@H](Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1709521677 SPRQWNPMDXQPJB-TXTKFYIRSA-N 446.596 2.310 30 10 IEEE CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1709879564 QLSNVYPKMGWALH-IAGOWNOFSA-N 447.561 2.479 30 10 IEEE CN(C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCCC1 1710966589 FSHMIBGCRWOYRW-IBGZPJMESA-N 449.559 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCOC1CCOCC1 1722299844 UIGMASCOUUYUQB-MRXNPFEDSA-N 431.562 2.313 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H]2CCS(=O)(=O)C2)c1 1722304815 INUASZVRIMPETJ-AEFFLSMTSA-N 443.573 2.283 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1722360796 JSGWUTIQCHRYBA-UFYCRDLUSA-N 443.573 2.028 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722368828 WNJRQENVEYDBEM-SFTDATJTSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccccc1 1722397175 OHWRJHCJPMLAKC-WOJBJXKFSA-N 426.542 2.031 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722430326 AUHDGOPVOGVNTP-CTNGQTDRSA-N 441.601 2.010 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 1722504196 FHMTYXCRAPGFBX-PXNSSMCTSA-N 425.537 2.198 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CC1 1722575215 AIMOVZMHWBFEND-UHFFFAOYSA-N 436.969 2.431 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722695001 OUXVQAXAEYKAHE-AEFFLSMTSA-N 436.516 2.036 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1C1CCC1 1722702449 OBQJJMCZKXHFPD-INIZCTEOSA-N 428.562 2.341 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1723016890 NPJQDWQECPUDPS-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723021527 SUTIBICJPSKJAE-LVWUPQHWSA-N 428.537 2.323 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)CN2CCOCC2)CCOC1 1723878922 ITXBWSONIIEBAH-XXBNENTESA-N 446.596 2.027 30 10 IEEE C[C@H]1COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1726753258 NIKWWONWZGCBKQ-YCRPNKLZSA-N 434.466 2.310 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCCO)c(OC)c1 1730080061 JKEXTQIBCSOAHK-QFIPXVFZSA-N 429.521 2.491 30 10 IEEE COc1ccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c(OC)c1OC 1730152728 ZPVPXBFKEPBEKQ-UHFFFAOYSA-N 436.472 2.196 30 10 IEEE CON(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1730962904 FSGWEHHHVURWJA-MSOLQXFVSA-N 430.534 2.019 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1740725586 NUAPUMHCJIDYGT-RPWUZVMVSA-N 437.544 2.330 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)no1 1740917027 DZURQGMUSDYZQT-INIZCTEOSA-N 430.534 2.426 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCNC(=O)CC1)C(C)C 1740925769 DPTAOUSPQBIKKW-HXUWFJFHSA-N 425.581 2.309 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccco2)C1 1740963026 XFQMWLSTECVZDK-KRWDZBQOSA-N 428.518 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1740986628 CIQFQPKFZBGXNF-MJGOQNOKSA-N 445.589 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740991230 RGCPFNRLWCLZMK-QGZVFWFLSA-N 449.621 2.231 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1741136288 MRONOLXXAWMXIQ-OAGGEKHMSA-N 430.475 2.379 30 10 IEEE CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1741315935 BGXLYNZZMDZLNW-LEWJYISDSA-N 442.539 2.094 30 10 IEEE CC(C)CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741534619 LQEATEJMJQMFHJ-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)C(C)(C)C 1748671533 KENMHZZVWJLBSM-AUMHUTNHSA-N 443.621 2.457 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1748697994 BODFAKBREGCLAE-VGOFRKELSA-N 443.573 2.328 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCOC2)CC1 1749000027 KIVRHTPAHBUOOB-HXUWFJFHSA-N 439.560 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](OC)C2CC2)CC1 1749010238 IXQYVDDDJKMFBE-OAQYLSRUSA-N 437.544 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC2)CC1 1749015160 ULFIGZJUTPTLRQ-MRXNPFEDSA-N 443.498 2.149 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1749015506 XPTQUCDAEZVDDR-QGZVFWFLSA-N 425.533 2.282 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749253256 YQVVVXOHQZCCLI-CHWSQXEVSA-N 439.866 2.259 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1749561526 PTZDFCWPRXVCRJ-UHFFFAOYSA-N 432.330 2.301 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOCC2(CCC2)C1 1749660958 XAIGNESHMCNUJW-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 1749707878 GYYOPZQQETXHFD-VAMGGRTRSA-N 442.539 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749734948 OHNNPEXZGXBRLK-INIZCTEOSA-N 439.607 2.420 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1750068873 DSILEHJTOAVINA-OXJNMPFZSA-N 448.531 2.440 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1760184725 YRHTXELRLXODMG-USXIJHARSA-N 433.465 2.011 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C(C)C 1760241839 LQMFRTPRQUKSMU-AVRDEDQJSA-N 448.564 2.366 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](OC)C(C)C)CC1 1760264390 LTKRQWKPTUROHI-NRFANRHFSA-N 427.549 2.292 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)C)CC1 1760551544 JMJMUUPBCSUPQU-UHFFFAOYSA-N 442.589 2.384 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760563853 GJRKKZSXFQKKTO-IBGZPJMESA-N 426.590 2.423 30 10 IEEE C[C@H](CN1CCCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1761433191 DWDCSPJBMNOKJA-UYAOXDASSA-N 448.637 2.432 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1768171687 GWPZOTZFUBEPSZ-QHCPKHFHSA-N 426.565 2.382 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCOC1 1768659569 FIFLHIASALNPFW-VQTJNVASSA-N 438.532 2.180 30 10 IEEE COC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCCCC1 1769783842 DRLRZKHRBFOEEG-PGRDOPGGSA-N 433.553 2.397 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1770918598 DUSJKNLGRAVJFG-FQEVSTJZSA-N 437.592 2.315 30 10 IEEE COCCOC1(Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)CCOCC1 1771232298 QSFDHKSQZVMYAK-UHFFFAOYSA-N 440.548 2.216 30 10 IEEE Cn1nc2c(cc1=O)C[C@H](N(Cc1ccc(F)nc1)C(=O)c1ccccc1OCC#N)CC2 1853526177 WLTPFMGBJKWQGX-GOSISDBHSA-N 447.470 2.417 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)c1 1854435650 DTMAZPGPAIFTJK-INIZCTEOSA-N 449.960 2.190 30 10 IEEE Cc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c1 1854637592 VHTGSXKAAMUQER-QGZVFWFLSA-N 425.510 2.248 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(F)cc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854646166 VTHPCTCVLBWXDH-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 1857222932 YDMJNVSNLFCCCC-INIZCTEOSA-N 437.949 2.114 30 10 IEEE CCOC(=O)c1sc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C#N)c1C 1859475679 DPGMVIMIOVHKMI-UHFFFAOYSA-N 442.409 2.248 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862574533 LQDZYFSGTXJUBK-MPBGBICISA-N 443.452 2.377 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1 1862608961 ZUUDXCMVISDNDY-QKKBWIMNSA-N 438.480 2.483 30 10 IEEE N#Cc1nnn(Cc2ccccc2Cl)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870095529 PTPPLSSHWKQBCB-UHFFFAOYSA-N 430.833 2.499 30 10 IEEE CCOc1ccc(O[C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890309034 YZRJCKKVXCTWCP-OAQYLSRUSA-N 443.588 2.111 30 10 IEEE N#CC1(Cn2cnc(I)c2I)CCOCC1 1979314836 ZBXOKDMUIIQSTG-UHFFFAOYSA-N 443.026 2.413 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060637417 LCALWTXSPWCZLG-UHFFFAOYSA-N 428.338 2.173 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678301 NJPMWOWGRNYKSX-JKSUJKDBSA-N 447.341 2.201 30 10 IEEE NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl 2152221382 GEHSTHDPQHWMSL-UHFFFAOYSA-N 427.309 2.013 30 10 IEEE Cn1c(Br)nc2c(NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)ncnc21 2202925548 ZCKOUKNPLKBEIK-UHFFFAOYSA-N 437.298 2.371 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247961520 GHMRLLSBANJIDF-QRWLVFNGSA-N 442.387 2.493 30 10 IEEE C[C@H](CCCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401329 HSCGKDFBDUFHDI-GFCCVEGCSA-N 440.375 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]2COC[C@@H]21 2254803912 VIFMFEYSVDIVFF-IRXDYDNUSA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2255645689 QSCVFVLAQOXKFI-ZDUSSCGKSA-N 448.354 2.027 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255816124 ZLJPEFMXHUNGQH-AWEZNQCLSA-N 436.362 2.047 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255819473 BEHORGUGSXIBAD-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)n1 2255832017 GJNZZLKLBJTUBB-UHFFFAOYSA-N 436.362 2.141 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2255873086 BFQAAMZVWPEGDZ-HNNXBMFYSA-N 433.314 2.052 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267192482 RLJLQJTUQOUTMB-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N[C@@H]3CCOC[C@H]3OCc3ccccc3)c2)OC1(C)C 2267280885 RMTCZVJICXCFCS-NHCUHLMSSA-N 438.333 2.485 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521938 UXJSYYMOONYWCK-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267553161 XWYLVOMMSKUZND-JOCHJYFZSA-N 448.373 2.445 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267555194 KUKWUSSOKVQSQI-XUJVJEKNSA-N 444.259 2.496 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NCCCOCCOCc2ccccc2)OC1(C)C 2267879317 GSPIZSGSFQNKAF-UHFFFAOYSA-N 441.337 2.129 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268718216 PLHBFEQMKRWMIH-HOTGVXAUSA-N 447.341 2.080 30 10 IEEE Cc1scc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2303622446 ZCYULDUPEDZATR-UHFFFAOYSA-N 432.273 2.106 30 10 IEEE CC(C)(C)n1ncc(NN=Cc2ccccc2S(=O)(=O)O)c(Br)c1=O 2322642044 AGFNZCPMJVJZLV-UHFFFAOYSA-N 429.296 2.454 30 10 IEEE Nn1c(N/N=C/c2ccccc2F)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20528130 BPVZFIWAADZEIU-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 27559021 DJCJSRHXWLWQFK-UHFFFAOYSA-N 436.512 2.453 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)cc2C(=O)O)cc1 33006902 LVNPEIRYMUSOPM-UHFFFAOYSA-N 444.513 2.230 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1 72472375 CNSXHZYHQPJZIS-CRAIPNDOSA-N 429.436 2.377 30 10 IEEE CCCCCCc1ccc(S(=O)(=O)OCC(=O)NCCCN2CCOCC2)cc1 243831338 QYXFSVPRVJPMBB-UHFFFAOYSA-N 426.579 2.353 30 10 IEEE COc1cc(C(C)=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)ccc1O 254629592 HGISOXCOMLFDBZ-UHFFFAOYSA-N 448.483 2.032 30 10 IEEE Cc1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)c1C 441182524 PTALIPFGUJCXPQ-UHFFFAOYSA-N 432.571 2.490 30 10 IEEE COc1cc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc(OC)c1O 447447203 CNCWAJWOYXVHMB-INIZCTEOSA-N 427.482 2.364 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)cc2Cl)cc1 476466312 BEHGCMFSGGHILP-CQSZACIVSA-N 427.848 2.212 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1C 488913133 CWGXZFQOPRUYQD-UHFFFAOYSA-N 437.518 2.009 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)C2=O)cc1 505664684 SUYUKJKWTGVRLX-WOJBJXKFSA-N 436.537 2.465 30 10 IEEE C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513784792 ZFIAULJFSQOHCC-HXUWFJFHSA-N 449.435 2.401 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)cc1 514522223 FNTZAFZMSOWUER-UHFFFAOYSA-N 447.560 2.491 30 10 IEEE CCN(CC)CC[C@@H](CO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 535835122 IZUVEDIUKJQVNI-KRWDZBQOSA-N 429.521 2.232 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 540108221 ZBJLNXBHPTXSIK-UHFFFAOYSA-N 442.501 2.391 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 542960337 ZRNMPWMYQFDECP-QGZVFWFLSA-N 428.880 2.252 30 10 IEEE COc1ccc(C(=O)NCC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1[N+](=O)[O-] 543851686 POTVWENGMVTQIM-CQSZACIVSA-N 447.245 2.477 30 10 IEEE Cc1nn(-c2ccccn2)c(C)c1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549385121 LMGZWUPZNPPUFN-UHFFFAOYSA-N 436.541 2.262 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 558994360 WYNFFIGRDIXKHH-GOSISDBHSA-N 446.533 2.434 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 575845590 SUOXDSPMCYNYLK-INIZCTEOSA-N 426.546 2.442 30 10 IEEE C=CCn1c(Cc2noc(-c3ncsc3Br)n2)nnc1N1CCOCC1 583778274 JUHVIMZIPYBLTQ-UHFFFAOYSA-N 438.311 2.161 30 10 IEEE CSc1cccc(N2C[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)c1 734293673 HGTZGJIDLNJLFF-OAHLLOKOSA-N 429.523 2.447 30 10 IEEE CCn1c(C)cc(C(=O)COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 745495260 FFLIUGFTMIZSMY-ZDUSSCGKSA-N 431.514 2.368 30 10 IEEE C#CCNC(=O)C1CCN(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 747798326 NNOSTAAUFWOOSS-AREMUKBSSA-N 444.535 2.095 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H]1COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757266517 BZKQRKAJOZTUIH-YADHBBJMSA-N 448.475 2.087 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC23CCCC3)cn1 757924890 PKMHIQJAJFSMJN-DLBZAZTESA-N 445.589 2.422 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)COc3ccc(C=O)cc3Br)CC2)n1 761039052 WGAYYXZZZJGFHI-UHFFFAOYSA-N 429.274 2.256 30 10 IEEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O 774280115 LBOWNHHQYMRJQZ-SFHVURJKSA-N 434.606 2.409 30 10 IEEE COC1(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)CCC1 779746364 SNBWFOFGRRXYNX-KRWDZBQOSA-N 436.553 2.394 30 10 IEEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc2c(c1)OC(F)(F)O2 779754513 PGFZRFHCYHGZSJ-CQSZACIVSA-N 427.429 2.278 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 780919478 JBIMZLJGIFWGQN-QGZVFWFLSA-N 439.946 2.230 30 10 IEEE C#Cc1cccc(NC(=O)C(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1 783407465 CHAYTMCJGGZCIM-FQEVSTJZSA-N 439.899 2.318 30 10 IEEE CSC1(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C#N)CC1 788409979 GUWRXNGKIQVCLO-KRWDZBQOSA-N 445.614 2.453 30 10 IEEE C=CC[C@]1(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCCN1C(=O)OC(C)(C)C 790292275 AJUSVKMZYVVHFC-JOCHJYFZSA-N 429.521 2.302 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-c3ncon3)cc2)cc1Br 790841239 CWIMUEBGDIPWDG-UHFFFAOYSA-N 433.243 2.489 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCn2c(S)nnc2-c2cccs2)n1 791013221 VPBXKIPDDBSWCR-UHFFFAOYSA-N 430.559 2.190 30 10 IEEE O=C(OCC#Cc1ccccc1)c1cc(I)ccc1-n1cnnn1 791249476 UZPNLNARFRVUPH-UHFFFAOYSA-N 430.205 2.475 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 802009595 YJIKXXSCZAXRKR-RDPSFJRHSA-N 447.624 2.402 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)CC1 802639022 YFEXXZUKCFDPTC-UHFFFAOYSA-N 430.984 2.320 30 10 IEEE C=C(Br)CNC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 806747799 GCKOQZKETSCIDM-LBPRGKRZSA-N 428.283 2.025 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)c1 807923994 WGYSRQPARMKMAM-UHFFFAOYSA-N 441.509 2.269 30 10 IEEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c1 810082159 FOKBWRMYBFKAFE-SOFGYWHQSA-N 446.481 2.249 30 10 IEEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 811143450 RSUSFUNLQMJEDF-UHFFFAOYSA-N 430.482 2.396 30 10 IEEE C#C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccc(F)cc1 812748866 UUAVSPYTLDYGPP-SFHVURJKSA-N 442.516 2.386 30 10 IEEE COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 919318052 AZYDEDITFQGXAV-HZPDHXFCSA-N 444.509 2.291 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1)Nc1cccc([N+](=O)[O-])c1 1084034975 AGURGRQEBDJKEL-UHFFFAOYSA-N 429.418 2.301 30 10 IEEE CCCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1125175356 BPHLNDNQSGLWHH-DYTRJAOYSA-N 443.591 2.433 30 10 IEEE N#CCN1CCC(NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1125974005 KLMDUIUHMCDYJB-UHFFFAOYSA-N 428.352 2.107 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1136186788 WTTLWLUYEGMZNI-UHFFFAOYSA-N 429.498 2.047 30 10 IEEE CCOC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1CCOCC1 1137919213 DSDVGXLXGJGSCH-POTGORPSSA-N 449.548 2.248 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)CC1 1138971775 ANFFGBYBJFQCTA-LJQANCHMSA-N 427.501 2.046 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1CCN(O)C1=O)c1cccc(Br)c1 1141380629 WSEMTMLNXODXAW-QWHCGFSZSA-N 428.283 2.121 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 1143293481 IHNZSIQDUOKESC-CVEARBPZSA-N 430.977 2.081 30 10 IEEE Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc21 1156592614 ZPGSZGGCEDKIGS-INIZCTEOSA-N 442.401 2.390 30 10 IEEE C=CCn1c(SCC(=O)Nn2c(O)nnc2O)nnc1-c1ccc(Cl)cc1Cl 1160073930 SWEIGTIKGYMIPX-UHFFFAOYSA-N 442.288 2.303 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286464703 FFPZMAXDSFPHJP-HSALFYBXSA-N 433.597 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)CN2CCCC2)CC1 1286490547 XNYPRUGFXAMPMD-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635467 SVIDYYCYUUVXAJ-RXVVDRJESA-N 439.988 2.372 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCc1noc(CC)n1 1286742587 QRLRKYSIZNOVDI-GOSISDBHSA-N 446.515 2.482 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@](C)(CC)C1 1286783939 QRUOMSNWUMZVNE-JOCHJYFZSA-N 429.521 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)Nc2ccccc2)C1 1286798631 MJQDVNMCULYPQK-GOSISDBHSA-N 426.521 2.226 30 10 IEEE CC1=C(C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1289129011 RPMCLTSCIJCQLA-QURGRASLSA-N 433.516 2.337 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CCO1 1293636836 FAIUTOYGUGGOHO-AVRDEDQJSA-N 429.521 2.131 30 10 IEEE CCOc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCOC)CC2)n1 1296890794 JYHVQXSRCUMXIW-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298787221 KYXKRDHGTQMKHL-ZBBYCGENSA-N 442.545 2.072 30 10 IEEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300340408 ZGDXISINZGTKCE-MOPGFXCFSA-N 437.610 2.226 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1300356579 CNCMKOFSVQVDCF-UHFFFAOYSA-N 430.516 2.328 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1300404426 ZGUIOYVGNPFZBI-LJQANCHMSA-N 425.508 2.356 30 10 IEEE COc1cc(COCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)ccn1 1300414526 OYSQRNDSVWRGFZ-UHFFFAOYSA-N 432.484 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(=O)(=O)N(C)C 1300520432 GATVZDHEWSXLSH-UHFFFAOYSA-N 440.356 2.216 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300528566 ZPCDUTFXOPVBNL-UHFFFAOYSA-N 436.516 2.015 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCSCC2)cc1 1300635722 UPZOZEUEPPVYRE-UHFFFAOYSA-N 438.601 2.462 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1300706208 JETHGTYERSDEHI-UHFFFAOYSA-N 439.560 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1300721909 CRNCVXIGKCTVSA-OALUTQOASA-N 436.560 2.429 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1300761373 BVIFGXRYKGLFHM-RTWAWAEBSA-N 441.601 2.004 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300877661 XMJQGLKDDPBGMX-VDZJLULYSA-N 449.577 2.298 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301055388 ZPLVBDJVGLWYDN-MOPGFXCFSA-N 425.468 2.113 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301241532 RWNMMUSWWCXJPV-OAQYLSRUSA-N 428.493 2.408 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1)C1CC1 1301316544 MGTDYVLQOZWNON-LJQANCHMSA-N 435.370 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(OC(F)F)c1 1301497192 RIMHIZAZYCCGIU-UHFFFAOYSA-N 429.431 2.275 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1301528404 AIEXFJKXFDJRNC-OAHLLOKOSA-N 437.591 2.055 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)CC1 1301601126 BFDUQONPLJXQLN-UHFFFAOYSA-N 431.562 2.361 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1302031561 XCPJTOGZBPFJCW-VFNWGFHPSA-N 440.483 2.277 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCS(C)(=O)=O 1302908090 NVHIAILMQTYRRB-UHFFFAOYSA-N 446.577 2.226 30 10 IEEE C#CCn1ccc(CN(CCOC)CC2(O)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1 1307736146 KBWAGAZILFWIIS-DETIRCLXSA-N 432.565 2.258 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC=CCO1 1314895520 ORPZZHXDMKCOCG-LSDHHAIUSA-N 433.310 2.120 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)F)C1 1316532798 WBUVWCAKDHXKRC-KRWDZBQOSA-N 428.440 2.341 30 10 IEEE CCN(C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)ccn1 1328524341 LBXXSMWLAFHJOZ-CVDCTZTESA-N 447.539 2.438 30 10 IEEE N#CCCSc1ccccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1353376798 SINAENSQVFYVPR-UHFFFAOYSA-N 426.483 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1358871145 AJLQWXUCSAFHDL-OLZOCXBDSA-N 445.467 2.293 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN(CC)C(C)C)c1 1358901975 BTSHNYBCGOHIIX-UHFFFAOYSA-N 448.575 2.465 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC(F)(F)F)C1 1359007565 NKPZREHSUYYXFE-CQSZACIVSA-N 438.454 2.350 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1359007615 OSCLSCZIFFEIIL-JOCHJYFZSA-N 437.573 2.491 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCOC)CC1 1359033341 YSMRKWAHMQISIE-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN(C(C)=O)C1 1359063624 ZGSFBWRHIUCLDZ-FDDCHVKYSA-N 428.581 2.447 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359294566 XVSGMMLMCYFZRS-LJQANCHMSA-N 439.520 2.220 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)nc2)C1 1359320761 VFWKDBINPUVKJL-OALUTQOASA-N 439.564 2.300 30 10 IEEE O=C(Nc1cccc(OCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1)C1CC1 1458004086 QWERMPICSSJSJV-UHFFFAOYSA-N 437.452 2.318 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2nc(O)c3c(n2)CCOC3)CC1 1459898010 WKZMNEFLZTUUJU-SFHVURJKSA-N 444.333 2.400 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2c(ccc(OC)c2OC)[C@@H]1CC)c1cc[nH]n1 1469804319 KIPXZIJERWGKOJ-KRWDZBQOSA-N 444.488 2.247 30 10 IEEE C=CCn1c(SCC(=O)N2CCC(CO)(CO)CC2)nnc1-c1ccc(Cl)cc1 1471743345 UFOHMKDHEPTCLS-UHFFFAOYSA-N 436.965 2.470 30 10 IEEE CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1499581622 HKDOTRCWFUQUTR-AEFFLSMTSA-N 428.562 2.335 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1504705607 QMELXTYNJZMBLR-QHCPKHFHSA-N 438.532 2.070 30 10 IEEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)cc1 1505013161 RXQLNZZYTUSFJD-QGZVFWFLSA-N 426.521 2.326 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(CC)s1 1507688299 ZFTSVNFTNWXKEP-UHFFFAOYSA-N 434.529 2.114 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Cl)c2C)CC1 1507715717 HOLOEZDNRSWIAI-UHFFFAOYSA-N 426.952 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507806426 AHGGOENUPUTBGZ-VMBXEPDQSA-N 433.597 2.343 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@H]2CCOC2)cn1 1507985777 MYFZEYQVUJLAED-INIZCTEOSA-N 441.561 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1508076377 ZPGNAMDVMXFJHQ-JKSUJKDBSA-N 449.353 2.486 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1508092389 BJWCCSZKJUCTFQ-OAQYLSRUSA-N 431.512 2.206 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2c(C)noc2C)C1 1508122822 GRJLOMAEHSMMPM-BMGDILEWSA-N 449.577 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)CC1CC(F)C1 1508144689 RVOVKSNNHAZKHG-UHFFFAOYSA-N 427.571 2.419 30 10 IEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1 1508201756 FFPDCBGYHUOPKF-FQEVSTJZSA-N 438.532 2.212 30 10 IEEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)n1 1511917211 FRZUTNAVHKARIY-IAGOWNOFSA-N 449.563 2.342 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)CN2CCOCC2)CCOC1 1516178103 BSIBYAAYVGMTJI-WMZHIEFXSA-N 446.596 2.029 30 10 IEEE CCS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1516848960 AGCUSNPTXAXCEV-UHFFFAOYSA-N 430.578 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1537881268 BOYUPZMGSBTWNE-CVDCTZTESA-N 428.533 2.249 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1538976181 JMQIYHHCHBYYBQ-RDPSFJRHSA-N 445.608 2.422 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)CC)c1 1539044220 ZOEXMOXYQZLNOH-MBSDFSHPSA-N 425.533 2.389 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1539122343 ULLKBZOTQFMUTJ-CLTKARDFSA-N 438.427 2.219 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H](C(F)F)N1CCOCC1 1539178212 FOJGQVGUGXRIJF-QFBILLFUSA-N 447.486 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(F)cc2)CC1 1539489813 OECBGLQGIJFJCW-HXUWFJFHSA-N 425.508 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1539538066 BEABWRQJOMPQPU-NJNPRVFISA-N 444.605 2.405 30 10 IEEE Cc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c(=O)n1 1542160210 KWGYRRBRXOWGIM-LYBHJNIJSA-N 445.545 2.092 30 10 IEEE Cc1nnc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543213790 GRWAIFIBJMRQBI-LINNUKDLSA-N 449.559 2.214 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H](C)O1 1544713100 HTLMUYRSTNBKQT-HZPDHXFCSA-N 429.546 2.255 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1548321722 CGFLQNHDKKZCAR-GOSISDBHSA-N 441.916 2.387 30 10 IEEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1555993814 FBBJHWOISDNXHF-LJQANCHMSA-N 428.562 2.219 30 10 IEEE CCOC(=O)CON=C(C(=O)N=c1sccn1Cc1ccccc1Cl)c1cc[nH]n1 1565575714 IOYKJOHHVRHQEO-UHFFFAOYSA-N 447.904 2.386 30 10 IEEE CCOP(=O)(CN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)OCC 1570727038 HQHOMTQOKVGDER-INIZCTEOSA-N 436.405 2.445 30 10 IEEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cc1 1583578726 DDGDTLMBRGSGPT-UHFFFAOYSA-N 426.542 2.093 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C 1584857161 KXYJHQAPASRSPO-QAPCUYQASA-N 435.546 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1ccnn1 1587621712 XTIDCOLXAVMFNV-QGZVFWFLSA-N 445.531 2.205 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587782942 FIZKPSXTZZAPJC-UHFFFAOYSA-N 445.589 2.487 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1587831510 PCYGRPZBZMNTFK-GOSISDBHSA-N 449.519 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@]1(C)CN(C)C1=O 1588254081 PRCKCYRXKFGCQX-DEOSSOPVSA-N 435.528 2.197 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1589394260 ALTSZCUBLGFUGA-OAHLLOKOSA-N 444.399 2.459 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cnn(C)c1 1589484448 TWNLGRQNPDBVER-RBUKOAKNSA-N 427.553 2.255 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1589495882 UMOTYFPDTNWWCJ-TZIWHRDSSA-N 445.589 2.387 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)NC)CC1 1594228877 BZESWWCTPHDRAZ-UHFFFAOYSA-N 441.561 2.082 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1595594256 MHRWERRUKFVLNL-LSTHTHJFSA-N 441.532 2.029 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1595895075 GQUBJYGRZRIYSI-QGZVFWFLSA-N 435.594 2.094 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567253 HPSUYLDQRMYIEN-BXTJHSDWSA-N 427.567 2.055 30 10 IEEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCNS(C)(=O)=O 1598631788 WMQTVQGXIGUGAY-UHFFFAOYSA-N 446.577 2.260 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N2CCCCC2)CCOC1 1610339699 ZMQAEHCQHNZKQH-XMSQKQJNSA-N 432.569 2.460 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(O)(Cc4ccccn4)CC3)ccc2c1=O 1611588494 SZSYTSFGPROVCJ-UHFFFAOYSA-N 436.537 2.476 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1612803654 LVDOPZPWBVHPCB-CEXWTWQISA-N 436.626 2.431 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCc3ncn(C)n3)C[C@H]1C)C2=O 1615243354 DJTPFHFSUHHWKX-WSVYEEACSA-N 446.891 2.125 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@H](c2ccnn2C)C1 1617863577 FHQRPRCFAQIVTG-KRWDZBQOSA-N 449.305 2.432 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)[C@H]1CCC[C@H]1C#N 1620488320 VUVDTPIETBAVCS-LPHOPBHVSA-N 434.562 2.432 30 10 IEEE C=CCCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1622728884 KHOMUZGYMHWBSJ-MRXNPFEDSA-N 443.591 2.266 30 10 IEEE Cc1ccccc1CO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629484940 GLDYISKUPHOYMD-SFHVURJKSA-N 427.526 2.305 30 10 IEEE CC1(C(=O)NCC23COCCN2CCOC3)CCN(c2ccc(Cl)cc2C#N)CC1 1630898125 UCGAUGUJKQNIPU-UHFFFAOYSA-N 432.952 2.036 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1cccc(OCCN(C)C(=O)OC(C)(C)C)c1 1631312219 JURKGJBRDBAGDL-UHFFFAOYSA-N 426.535 2.263 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1635187682 OIWQRSKDXWBWFH-GOSISDBHSA-N 433.892 2.004 30 10 IEEE C=CCC[C@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1640864117 PLEHBRIKVSNYRF-DLBZAZTESA-N 435.546 2.154 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1641604592 QVIXISZNTZEOMD-OGWOLHLISA-N 441.500 2.214 30 10 IEEE COc1ccc([C@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 1645744289 BDSZLCOPPSXPTJ-AWEZNQCLSA-N 431.514 2.400 30 10 IEEE COc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1648619063 FOOWZORYPFODOZ-KSSFIOAISA-N 428.514 2.271 30 10 IEEE C#C[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 1662180833 DRWMMSYOZOCQGR-QGZVFWFLSA-N 425.348 2.444 30 10 IEEE CC(C)(CNS(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1COCC12OCCO2 1662443606 CHXZIJKKHOJFPY-HNNXBMFYSA-N 445.335 2.015 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCCc2cn3c(n2)SCC3)cc1Br 1663472336 CPUYRARWONODBL-UHFFFAOYSA-N 431.312 2.283 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)[C@H](C#N)C1 1679944304 KOVZHRUVSHEYRL-NCZKRNLISA-N 436.534 2.379 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1689884232 NRVTURZUAOUMGT-GOSISDBHSA-N 432.594 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1690047287 NCLOVQYYXUDYDT-QHCPKHFHSA-N 446.599 2.457 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCOCC1 1690088175 CUIJREZITHSMSA-INIZCTEOSA-N 449.552 2.094 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1690115495 HURFPXVHBBYDMP-OAQYLSRUSA-N 436.604 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC=CCC2)CC1 1690137875 KTAGESVEPPFJAH-NTKDMRAZSA-N 441.576 2.252 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCOC1 1690172740 MUKCBZAFGRYQQZ-SFHVURJKSA-N 441.605 2.291 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690183930 AUTRJCVEESMINN-KRWDZBQOSA-N 427.530 2.173 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690228638 BSBSPGQRIBHMIO-MCIONIFRSA-N 426.315 2.015 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690508085 AVDAYUBVJKREQA-SFHVURJKSA-N 429.521 2.320 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1705549768 HNHOZJVFAPMWSF-SFHVURJKSA-N 447.543 2.220 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705826335 BMLMVCAOZLASHS-IBGZPJMESA-N 449.353 2.345 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C#N)CC1 1705935439 RMHHOAXDZWOIIT-UHFFFAOYSA-N 435.500 2.488 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSCC)C1 1710346020 HZHRZAHQYGCWJG-SFHVURJKSA-N 448.618 2.478 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F 1710884694 HGTCIIJBUVEXTN-UHFFFAOYSA-N 444.483 2.487 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1711351929 CXYAIOILBIFGRI-HKBQPEDESA-N 442.589 2.326 30 10 IEEE COc1ccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1711886956 FPHYCXUCIDITPE-QFIPXVFZSA-N 442.495 2.434 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1712543059 KOUVDVUGXGGIKQ-SBUREZEXSA-N 440.548 2.474 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722366530 RKFGADFFIIOBDW-ROUUACIJSA-N 432.571 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(OC)c1)N(C)C 1722387130 HCXBGHLRQJDPKC-OAQYLSRUSA-N 436.560 2.191 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722461258 ABSFNGVLUANAER-OAQYLSRUSA-N 440.617 2.179 30 10 IEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1722486589 AKGFIQKTAJGEKA-UHFFFAOYSA-N 433.354 2.433 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1722492263 DYCDRODOLMCFEM-VQTJNVASSA-N 435.532 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCCOC)C1 1722492895 FOJKZPNKRNKEFR-QYZOEREBSA-N 435.569 2.029 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1722501987 QWEWSBSVSAPHPW-FQEVSTJZSA-N 426.583 2.300 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722534462 PQQNMKZTHQATNK-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558048 BTRHVLYXWFWADX-OXJNMPFZSA-N 438.960 2.112 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722559017 HUXZDUCNTJGAHP-KRWDZBQOSA-N 428.512 2.056 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CCOC)CC1 1722563117 FHHKCOROCVNPJY-NRFANRHFSA-N 448.593 2.182 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722584321 SCXULZLGJKGAAH-KRWDZBQOSA-N 427.983 2.401 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722690637 KPMGQVRRLHHAHC-GUDVDZBRSA-N 430.597 2.126 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CC)C1 1722710600 LJQQNFSGKFEAOO-LPHOPBHVSA-N 433.578 2.280 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1723778804 FIZFJFMHSWIZGV-ICSRJNTNSA-N 436.564 2.102 30 10 IEEE CN(CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 1729536033 BSSIXIBZUYGCMI-NRFANRHFSA-N 435.507 2.264 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCOCC(F)F)CC2)c1 1731185073 PGMFTQRHHYPANC-QGZVFWFLSA-N 447.490 2.047 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCn2cc(Br)cn2)CCO1 1731187721 WUOSMDNFOQATEZ-OAHLLOKOSA-N 448.350 2.318 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740589898 CEDJLUIKVHWVGC-LSDHHAIUSA-N 434.484 2.141 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1740610612 GVDRIMGDLDFDDE-LJQANCHMSA-N 446.596 2.388 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740616189 VOJNLKTZTOVBKN-AVRDEDQJSA-N 448.564 2.249 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](Cc2ccccc2)OC)CC1 1740698627 ZBMJORYXZVRSSV-HSZRJFAPSA-N 430.556 2.277 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740699121 UYXDNRFHLNHGMT-DEOSSOPVSA-N 448.615 2.467 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(C(=O)NCC)CCC2)CC1 1740706207 SUNMHYCJNJQHNM-UHFFFAOYSA-N 442.608 2.139 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1740710244 SSIZTISKRKFALK-QKNQBKEWSA-N 442.608 2.216 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1740875846 KZYWBCLLNBWXNH-IBGZPJMESA-N 438.580 2.381 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740985242 DVSKVQBLMQSJOG-UHFFFAOYSA-N 427.571 2.059 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccnn2C)CC1 1741004937 ANRSLVIKGKWORA-UHFFFAOYSA-N 429.594 2.437 30 10 IEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)cn1 1741067124 AGBQJVHIGQAYIV-IBGZPJMESA-N 447.499 2.356 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)C1 1741076282 FHCVUZXWBXLUDM-NRFANRHFSA-N 449.559 2.324 30 10 IEEE CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1\N=CC=CC1=O 1741335065 LUOGNKNAOBDAEX-CZIZESTLSA-N 439.476 2.473 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 1743093960 CVXTVJBXOFWAMV-QZTJIDSGSA-N 444.605 2.418 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748814288 CRKITGOLKDCKSO-LJQANCHMSA-N 428.558 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc2[nH]ccc12 1748891618 BGXCIKHTDIFAGR-LJQANCHMSA-N 435.553 2.367 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749230279 WGTFGRJGJAFNGR-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749232349 LHCRDXGVAZPXMN-QGZVFWFLSA-N 439.607 2.240 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1749708845 MEKPKEUWLGKKHO-FQEVSTJZSA-N 425.533 2.452 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C1 1750083286 SSXRYBBEHANIMA-FDDCHVKYSA-N 425.533 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCn2cncn2)C1 1750509135 WLUQYRCYLJCPOA-CALCHBBNSA-N 441.540 2.080 30 10 IEEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1752502907 DNVCLVSMZHCVPK-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1760183554 RGPVTPGIJBKSHB-GOSISDBHSA-N 447.605 2.013 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1760188165 MWNSMYTVYCRCQE-ZACQAIPSSA-N 449.602 2.059 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1760260129 WFVAUZNUOFQEFV-YADHBBJMSA-N 428.625 2.439 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1760295927 WULDINBYHQELOO-CNNODRBYSA-N 433.622 2.293 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760367027 BENHHXXDQMCPQW-LBPRGKRZSA-N 448.774 2.422 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760442343 NJQWFFPQDUZJKC-JKSUJKDBSA-N 428.562 2.483 30 10 IEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)OC 1763857671 HTPFMPNWOBOTII-OALUTQOASA-N 446.577 2.150 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1765559519 FMJBTYISLNNKOU-LJQANCHMSA-N 441.555 2.231 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNc2ccccn2)CCOC1 1765879611 JKRGLQDETFRJAR-LEWJYISDSA-N 429.500 2.269 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC(C)(C)C 1770009968 RVNWWCDNYKIXKC-HNNXBMFYSA-N 444.536 2.352 30 10 IEEE CSCCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1770604192 FRCVOSDJKJTBMX-UHFFFAOYSA-N 437.577 2.333 30 10 IEEE Cc1cc(C)n(C[C@@H](C)C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1851497916 UHHXURDSQCESBQ-VGOFRKELSA-N 426.517 2.331 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)C3)C2)cc1 1854214280 HBAXVWZHNVROCB-SJORKVTESA-N 426.414 2.094 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854520157 MEUPMIVWQNIPSF-UHFFFAOYSA-N 425.510 2.329 30 10 IEEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1855265388 AJERSEQTMRTKRI-HXUWFJFHSA-N 431.558 2.276 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(CC)c2)cc1 1858974152 SPDUWQHHHIXVAS-UHFFFAOYSA-N 445.541 2.161 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862445075 NOIQZZMXHPTMKD-SFHVURJKSA-N 430.844 2.466 30 10 IEEE O=C(NCc1ccc(O)cc1)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931914 LTRLXFMCNMUBKR-HXUWFJFHSA-N 435.505 2.358 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc2c(c1)OCO2 1870982934 HWVKVXKTJCLJRX-GOSISDBHSA-N 441.484 2.049 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CC)CC3)ncnc2n1CCCOC 1873556526 WBODHYFUSARWCU-UHFFFAOYSA-N 426.565 2.424 30 10 IEEE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C#N)cc5)CC4)ncnc32)c1 1891080839 NBCJYJKEIUEBPA-UHFFFAOYSA-N 440.467 2.053 30 10 IEEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(F)(F)F 2010507414 GOBJDKHJYBLQHT-CJNGLKHVSA-N 436.356 2.222 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2060625449 KGLUQRITMRBYAB-OAHLLOKOSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(c3cc(Br)cnc3C#N)CCN2C1=O 2174715845 QJLNNHYWNVOARV-QWHCGFSZSA-N 436.310 2.030 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2247876163 KESFLDHVYQTHSX-UHFFFAOYSA-N 440.371 2.097 30 10 IEEE C#CCN1CC[C@@H](NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1 2248465406 OXYUWQLRBMETBQ-HXUWFJFHSA-N 427.545 2.264 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255626035 ADXJHSNALBZGNA-CYBMUJFWSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255699936 VFRLPVCALBBWTG-GASCZTMLSA-N 431.342 2.414 30 10 IEEE CC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255826613 BZTZTRAQUGHWCM-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2256628642 KTLAYXTUOXCHTM-UHFFFAOYSA-N 432.326 2.154 30 10 IEEE C=C(CN(C)C(=O)C(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2256629283 RXRBYGKIMIDUKR-UHFFFAOYSA-N 446.300 2.250 30 10 IEEE Cc1nc(NC(=O)C=C[C@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256679441 WOCTZQRKHOWZCU-ZDUSSCGKSA-N 432.330 2.492 30 10 IEEE Cn1cc(C(=O)N2CCC[C@]2(C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267126198 KMHIQHYDWGWJOD-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267135950 GZAFNFUXTCACBJ-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267137224 PJFWPLZUSYTLOT-GOEBONIOSA-N 448.373 2.426 30 10 IEEE CC[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267142139 PYXDJTOCEQNBGP-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 2267143029 BWSYSGUMOWZKFQ-DOTOQJQBSA-N 446.357 2.227 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)COCc2ccccc2)n1 2267188410 LUQOOHNEXKUSIK-IBGZPJMESA-N 440.349 2.339 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2267273607 OYGIYAXEKJBVHG-GJZGRUSLSA-N 443.353 2.366 30 10 IEEE Cn1ncc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267509760 AGNCCWVAXYQFRS-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1nccn1Cc1ccccc1 2282608211 ROEMFKKKGQKRBB-UHFFFAOYSA-N 449.364 2.420 30 10 IEEE COc1cccc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)c1OCc1ccccc1 2323022746 HISFALDICXMGJH-UHFFFAOYSA-N 440.481 2.414 30 10 IEEE COc1cc(OC)c(OC)cc1C=Nn1c(SCC(N)=O)nnc1-c1cccs1 2330567110 ZMWRSJFQHUAXTK-UHFFFAOYSA-N 433.515 2.492 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 2337292603 SBLDCKCUAWPPHG-UHFFFAOYSA-N 446.357 2.016 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@]1(C)CCN1C(=O)OC(C)(C)C 2337299359 QWDHWWMLRQBTKO-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE COc1nc(N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339786099 GXSZJPYSDNDJSC-OCCSQVGLSA-N 443.275 2.425 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)[C@@H]2C1 2345713881 OXNWOEYOVJMENV-IAGOWNOFSA-N 449.332 2.344 30 10 IEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccs3)n2N)cc(OC)c1 21317960 JHENGLBETGVMLV-DJKKODMXSA-N 433.519 2.247 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)nnc1C1CC1 59911764 DPRXARPDBHUFAO-UHFFFAOYSA-N 431.566 2.284 30 10 IEEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@@H]1c1cccs1 72472563 NUDKDWQFWVBOPQ-WBMJQRKESA-N 435.465 2.200 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cccs2)C1 256034265 ZCNRFIPXDCQOJG-BZPMIXESSA-N 427.486 2.247 30 10 IEEE COc1cc(CNC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)ccc1C#N 427220005 RVLPOWFVFMTLKY-UHFFFAOYSA-N 432.502 2.079 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](COC)c2ccc(F)cc2)cc1 436458616 ZOSXIQUTKNOKPJ-IBGZPJMESA-N 449.504 2.075 30 10 IEEE CCN1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)CC1 462469276 AALSVCAPCOSLBM-UHFFFAOYSA-N 427.549 2.043 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)nc1C 465009360 KSMGFCPYGCQBSY-AWEZNQCLSA-N 428.518 2.488 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(SCc3ccccc3)ns2)CC1 476500094 QUJJIZHSLOWGEY-UHFFFAOYSA-N 432.575 2.282 30 10 IEEE Cc1ncc(S(=O)(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N 489426909 NFQGPLOGSSFJRE-HNNXBMFYSA-N 429.420 2.341 30 10 IEEE COC(=O)c1c(C)csc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 493058182 MZNPAKLZHJKAKK-UHFFFAOYSA-N 448.526 2.253 30 10 IEEE N#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)C1CC1 505939818 YUKNQPBOUXQHCG-LBPRGKRZSA-N 432.365 2.330 30 10 IEEE CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 511977559 IDVVZKKRPJGKPW-YJBOKZPZSA-N 430.505 2.297 30 10 IEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 519783738 ARMWPTNYKAAIAZ-UHFFFAOYSA-N 447.561 2.056 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 522805837 SHYGIDHEIOZTGN-LJQANCHMSA-N 442.527 2.397 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cnn(CC)c3)c2=O)cc1 523863260 PSEIDCAVCICNPM-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE Cn1ccc(N2CCC[C@H](NC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2=O)n1 542035867 WYNQSWZIXMURNZ-HNNXBMFYSA-N 438.879 2.448 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]2CCCC[C@H]21 550453339 TXVQLVALQFVWQG-FAYOUJPWSA-N 444.624 2.024 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)NCCc2ccc3ccccc3n2)CCN1Cc1ccccc1 552862637 AUOKZMJLUQRLIC-JOCHJYFZSA-N 427.508 2.130 30 10 IEEE COc1cc(CNC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)ccc1C#N 555073597 GKFSCVBSACXEDF-UHFFFAOYSA-N 436.468 2.391 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(CN3CCc4ccccc43)CC2)cc1 573767574 RDNQGQHVYYWQAM-UHFFFAOYSA-N 438.553 2.138 30 10 IEEE Cc1onc2c(=O)n(CN3CCN(c4ncccc4C#N)CC3)nc(-c3ccccc3)c12 725769364 UEUHFMXYSSIKMG-UHFFFAOYSA-N 427.468 2.406 30 10 IEEE CN1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCC1=O 738905486 XASATMVLKOSVTI-PJWCADQQSA-N 435.550 2.022 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 748065268 KNTAZGCOQNJUJS-UHFFFAOYSA-N 428.517 2.425 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C#N 752305446 OORHWVGVHXLMAP-OAHLLOKOSA-N 429.477 2.229 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)N(C)C(C)(C)C#N 756749959 MVRFIPADDBMGNI-LBPRGKRZSA-N 445.335 2.163 30 10 IEEE CS(=O)(=O)c1ccc(-c2nc(COC(=O)CNC(=O)c3ccc(C#N)cc3)co2)cc1 761399961 YJHKIWNANJJVFC-UHFFFAOYSA-N 439.449 2.090 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCSC 763465963 MWUMEZFAQBCKRG-UHFFFAOYSA-N 439.562 2.006 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 764995255 WZZYXUZFBOOCQY-INIZCTEOSA-N 437.591 2.069 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)c(NS(=O)(=O)C(F)F)c1 766207596 QPNWECODYKZFKJ-CQSZACIVSA-N 437.490 2.362 30 10 IEEE C#CCN(C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 774211934 VYKQVYGBIFNTJW-LJQANCHMSA-N 437.993 2.384 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4cc(C)cc(C)c4)n3)c2=O)c1 781137186 QJDRHEADMPZMDA-UHFFFAOYSA-N 448.511 2.105 30 10 IEEE COCCOc1ccccc1C=Nn1c(-c2cnn(C)n2)csc1=NC[C@@H]1CCCO1 789968068 NQDMIKLZUSGUBG-KRWDZBQOSA-N 442.545 2.332 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccccc1S(=O)(=O)N1CCOCC1 797552089 RYYDEWKCIBOROF-INIZCTEOSA-N 430.482 2.090 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)n1 808311283 WSZYDSHZCNPEHJ-UHFFFAOYSA-N 433.530 2.227 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)CC1 812252321 VRUIMFRDGKRGCP-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C#CCN(C(=O)NCCc1c[nH]c2cccc(Br)c12)[C@@H]1CCS(=O)(=O)C1 812513668 UGCMPJBQEJPYNM-CQSZACIVSA-N 438.347 2.305 30 10 IEEE C#CCN(CC(=O)N[C@@H]1CCOc2ccccc21)CC(=O)N[C@@H]1CCOc2ccccc21 914867366 UTVSZYQEJAFMGC-NHCUHLMSSA-N 433.508 2.202 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccccc1 1083981420 APALKSBZOQIHJF-UHFFFAOYSA-N 426.462 2.467 30 10 IEEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 1084045698 HKIQSGKQZUNRMY-UHFFFAOYSA-N 429.466 2.240 30 10 IEEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1128016762 TWOUPHWFOMTHLA-IBGZPJMESA-N 425.510 2.206 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1 1131902270 YNMYRYBQEGWFFT-UHFFFAOYSA-N 432.521 2.398 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)CC2)c1 1182559848 DAVUONUXVAUANP-PMACEKPBSA-N 427.501 2.436 30 10 IEEE CCOC(=O)C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1207456628 IDNLGFCKZDLXFK-GJZGRUSLSA-N 426.395 2.237 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1279811225 AALOXUUZXQZBSP-INIZCTEOSA-N 444.532 2.493 30 10 IEEE CCCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1280233612 VXCCBYNMJKZKRP-UHFFFAOYSA-N 427.542 2.379 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286386177 VZYUKYPFTYVWMX-RTBURBONSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286387808 IMCHTXMOTXGAAY-PMACEKPBSA-N 441.557 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1286427887 OJAXODVCCCVRJW-ZWKOTPCHSA-N 449.527 2.034 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1286483944 FHSXFFZZSRYBMD-NRFANRHFSA-N 426.540 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1286493184 LXVRFOBKCXBLQQ-NTKDMRAZSA-N 443.592 2.171 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1286512951 ZLSVCLZKWOHEIG-LJQANCHMSA-N 427.574 2.053 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286607551 SAFNIHXTRCIOLO-UHFFFAOYSA-N 438.492 2.496 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286608596 RXHSZQZSNIXRBC-WMZOPIPTSA-N 448.593 2.020 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1286767894 JUCAHVBRJHIONA-JOCHJYFZSA-N 440.504 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286816059 HVEJASLYDRWDAQ-GOEBONIOSA-N 439.969 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1286818484 XGKKZYKVSRCCIK-UHFFFAOYSA-N 430.534 2.288 30 10 IEEE CC(C)(C)OCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1287081106 ZKTOZVABQHPPSE-SFHVURJKSA-N 425.537 2.190 30 10 IEEE CC(C)(O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1287097591 QNTMDDOEEPJOGN-UHFFFAOYSA-N 432.532 2.018 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)Sc1ccccc1 1288672685 AXFMNCSYYVAYNT-DLBZAZTESA-N 426.546 2.310 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291152922 WLOXKLDPXNIXBT-ITZAQCPESA-N 437.460 2.226 30 10 IEEE C[C@]1(c2cccc(CNC(=O)c3ccc(Br)cc3C#N)c2)NC(=O)NC1=O 1292584715 KVOMTZGGOMKGOL-LJQANCHMSA-N 427.258 2.305 30 10 IEEE C#C[C@H](NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2)[C@H]1CCCO1 1296701125 LKRDYHIXGWMZOQ-QXAKKESOSA-N 427.501 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1300276751 QQYMDUXHNRPOTG-LHSJRXKWSA-N 432.546 2.297 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1300499045 OUMOQVMHTMYBTH-WOJBJXKFSA-N 444.532 2.327 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(C)COCCO1 1300653044 HSJIEWXQZCYCAZ-VGSWGCGISA-N 432.496 2.449 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)cc1 1300671268 GSYBHBHPZCTBRP-QGZVFWFLSA-N 436.965 2.162 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1300699532 DYCFIPBGVKCEDJ-FDFHNCONSA-N 428.625 2.295 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(Cl)cn2)CC1 1300700878 YOBPKSGLCOQJKC-KRWDZBQOSA-N 430.940 2.055 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300751647 NLBWUKJTWYCBHU-INIZCTEOSA-N 448.570 2.054 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1301384414 WIIHHEMCTJRNTG-UHFFFAOYSA-N 428.537 2.031 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C)c2)CC1 1301506679 OJTXMUQCHNAFPG-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1301587348 YUZSJZOADKYXJS-UHFFFAOYSA-N 446.573 2.379 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301615297 KKPXITLNMPQKAY-SFHVURJKSA-N 433.553 2.269 30 10 IEEE CS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1302464739 DREFMTQQBBCBCC-UHFFFAOYSA-N 448.980 2.127 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)C1 1302978144 GMIHJTACKXZPAE-LIRRHRJNSA-N 431.859 2.029 30 10 IEEE Cc1cccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1304247482 GDYHOMQYVQDOGA-MJGOQNOKSA-N 447.499 2.430 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312469899 RVMNQCBHZKINIY-YHUYYLMFSA-N 437.541 2.348 30 10 IEEE CCNC(=O)C1(Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C)(C#N)CC2)CCC1 1313974970 JKGUIRMECFJPPL-QGZVFWFLSA-N 432.569 2.439 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1315119426 XTLQNMBADKCCNW-MRXNPFEDSA-N 432.431 2.129 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCC1 1358875882 YGAJZLBEKGHXPL-INIZCTEOSA-N 443.621 2.489 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359000666 BSCUFSJZZCCXCZ-SJLPKXTDSA-N 449.552 2.441 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNS(C)(=O)=O 1359002446 ZPEVVLVFBKMKQJ-UHFFFAOYSA-N 444.586 2.386 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccco1 1359002598 GESSIUVOROAHJT-OAQYLSRUSA-N 428.514 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC(O)CC1 1359005199 YVCHFACZYLGUJP-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N[C@@H](C)CC)CC1 1359039799 WHLPAUCSMVZTKF-SFHVURJKSA-N 442.539 2.056 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@@H]1CC 1359048881 CVIRBRCGSYPZDP-HOTGVXAUSA-N 425.624 2.414 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)NC(C)C 1359074151 SQBHNUMQYHXNOL-JOCHJYFZSA-N 445.589 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359096640 FECWLZPQBMMJEJ-QKLQHJQFSA-N 425.537 2.211 30 10 IEEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359168437 UNNDOCXECRIMMH-QFIPXVFZSA-N 446.573 2.180 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1359189726 SSXMOPKAWQMYJD-DLBZAZTESA-N 425.599 2.450 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1359235577 FQDYBZYUGIUHKW-IBGZPJMESA-N 436.354 2.405 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1359291469 QUYCLOLBJHUZQI-UHFFFAOYSA-N 448.474 2.054 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1359292330 NBRQCCQPHMAOSD-HUUCEWRRSA-N 446.939 2.041 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1359307254 FMIASGGNMBPTNR-YLJYHZDGSA-N 425.533 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 1359313904 SVSGOZLLTXIWEH-DOTOQJQBSA-N 437.541 2.165 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1359321324 DYORYJLBXOEVKQ-QWFCFKBJSA-N 443.523 2.047 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)CC[C@@H]1C 1359326462 ATBHTOILIMPEEG-CVEARBPZSA-N 425.599 2.422 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1359649757 UOLRZIMREHLDNG-QHCPKHFHSA-N 432.532 2.340 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CC)N(C(C)=O)C[C@H]2CC)s1 1445182492 IHKDINZTAYMHBX-JKSUJKDBSA-N 427.592 2.003 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)C2)c1 1454243343 FFXYMOHPODVDSU-UHFFFAOYSA-N 427.367 2.228 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 1460666791 PFBVDWZKMKSNGI-HKBOAZHASA-N 447.624 2.400 30 10 IEEE COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 1462884321 AJFQLGUHDDBGLH-UHFFFAOYSA-N 434.905 2.213 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1464849473 RJFSKTFRFNDECN-HXUWFJFHSA-N 448.608 2.134 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(Cl)c(F)c1 1468101698 WCNZZWVLQNKCLP-UHFFFAOYSA-N 425.869 2.103 30 10 IEEE C#C[C@H](NC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 1469257340 ADAGRFXKUUAXSS-YECZKDOJSA-N 442.313 2.230 30 10 IEEE COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)cc1C#N 1471301505 HFPIXACTVKTOPC-UHFFFAOYSA-N 435.527 2.274 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CC1 1476418412 IWYOYVXGCCUABJ-UHFFFAOYSA-N 440.953 2.136 30 10 IEEE COCCO[C@]12CCC[C@@]1(NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)CCO2 1478418467 QPVVYRXQZDVRLD-DHIUTWEWSA-N 439.516 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1507521510 NYEVLXNASVSHAR-GPMSIDNRSA-N 431.562 2.078 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(CC)CC 1507605191 RHCJZGSODHZMKZ-INIZCTEOSA-N 431.610 2.346 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507630124 TZOUAISLBVHSOK-HNNXBMFYSA-N 434.949 2.140 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1507721197 QGAVJTACXHTFLD-UHFFFAOYSA-N 428.537 2.469 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507912988 MTXPEDGRJNKRID-INIZCTEOSA-N 435.598 2.047 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507940839 DVWVWAGSILFPHI-JOCHJYFZSA-N 427.553 2.242 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1507957198 DNRGQRWZYLEQPK-QGZVFWFLSA-N 441.598 2.021 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1)C1CC1 1507988790 VWTLJGDBYBHBDU-KRWDZBQOSA-N 444.605 2.101 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cc[nH]n1 1508007194 VEFYJFMFMAFYRS-UHFFFAOYSA-N 437.533 2.086 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cc(CO)nn1 1509947706 CACKRIDAZUQNOG-INIZCTEOSA-N 446.519 2.248 30 10 IEEE C[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1510342902 AFDWTSJFTFMMOP-UTKZUKDTSA-N 444.923 2.159 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510852991 HFKCPYGNOFXVFO-XUTLUUPISA-N 433.472 2.404 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1518817126 GKCPFKJDJNIVTH-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1521143059 CSUPVASAJHKKTC-IBGZPJMESA-N 430.553 2.193 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)Nc2cc(C#N)ccn2)(C(=O)OC(C)(C)C)C1 1522753984 DADZFWJKFAZXNQ-NRFANRHFSA-N 432.477 2.240 30 10 IEEE CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1527707696 CXHLVTDLJGZTRZ-QGZVFWFLSA-N 445.928 2.426 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCS(=O)(=O)CC)c1 1539043903 WCPDTRYMNKFQAA-UHFFFAOYSA-N 429.546 2.037 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539132971 SPSUOBHJWOQAAV-CQSZACIVSA-N 427.452 2.451 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCC[C@H]2C)n1 1539424428 PUPGLNBGDSNIAJ-KKLQWCBXSA-N 442.564 2.163 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1539563843 RNRIJHROKAJPGA-JOCHJYFZSA-N 444.486 2.480 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539662337 SBQBUZBRLLSOEJ-HKUYNNGSSA-N 447.609 2.285 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 1540454450 SWRPSTYFPQBFCM-IBGZPJMESA-N 432.567 2.348 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CCC)C1 1540872048 APEFEPGMOQWFKP-SFHVURJKSA-N 442.539 2.195 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3c(O)ncnc3c2)c1 1541080186 CZFXCYYNZVBSGE-HKOYGPOVSA-N 425.470 2.401 30 10 IEEE COC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1554576379 ZMGGMWFMVJRSSQ-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1555922829 OEJIQMGICHZUPS-IBGZPJMESA-N 442.589 2.393 30 10 IEEE C#CC[C@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1557769551 KAUXHPDWZGSPEY-QGZVFWFLSA-N 431.470 2.472 30 10 IEEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CCN(c3ccsc3C#N)CC2)c2ccccc21 1584481695 BFQFXQCBRWMFGJ-QHCPKHFHSA-N 438.553 2.344 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 1587113820 IJABKQAXVVGVMZ-LRDDRELGSA-N 444.351 2.138 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588055249 UJMZQAWVULLARR-ICSRJNTNSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(OCCN2CCCC2)cc1 1588124835 SXALJUXQDZDUCH-UHFFFAOYSA-N 441.539 2.331 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(C(C)=O)CC1 1588613045 QUZWXUPQDZFSBQ-UHFFFAOYSA-N 439.516 2.018 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCSC1 1588620240 QHTCKXWOFOGKSX-JOCHJYFZSA-N 425.558 2.391 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1589150840 MALYODLGZUVPGX-DYESRHJHSA-N 430.578 2.017 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@H](C)C1 1589495542 RXYZRJKFLXLPMK-TXTZMMAHSA-N 425.599 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C 1589581219 QMJDXEHBDPEBMA-LPHOPBHVSA-N 427.553 2.144 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1593728929 GAJKNKILJJMLFJ-MRXNPFEDSA-N 426.525 2.441 30 10 IEEE CC1(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1594876941 WZUGTIANGMDKSH-OAHLLOKOSA-N 438.981 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2COCCO2)C1 1595745910 YQVQISVZRNLFFA-NHCUHLMSSA-N 428.533 2.269 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1595812388 RNKOTOBRKMDLSE-SFHVURJKSA-N 447.605 2.009 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1598227863 OBIJGVSGBULUCM-QHCPKHFHSA-N 433.516 2.206 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 1598245192 MTWFAQHQVVQPKA-CABCVRRESA-N 437.493 2.323 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)o1 1611355877 BNJIZRPDDBSMGS-OSYLJGHBSA-N 429.521 2.300 30 10 IEEE Cc1ccc(CSCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1612089599 MNNRVMHUFHLDFH-GOSISDBHSA-N 428.562 2.387 30 10 IEEE CCOCc1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616835268 JJNVJNNIMMUTQR-PAMSCFNVSA-N 428.537 2.358 30 10 IEEE CCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1617184820 LHFYWOLJXPNWSO-INIZCTEOSA-N 437.504 2.001 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C 1617399404 HHYCCUZKMDIWHL-UHFFFAOYSA-N 434.566 2.150 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1619502585 BIWCGQBTSXBFPB-IBGZPJMESA-N 426.521 2.116 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1620019171 KTJOVROMPDGEKD-QUCCMNQESA-N 445.612 2.053 30 10 IEEE CN(C)C(=O)N[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1626285909 ATXWNMFYODJEBG-JBLFJGJOSA-N 433.553 2.035 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 1626560091 KKVPAJKMKVJLMP-BATSVXPKSA-N 445.988 2.408 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)s1 1627293851 UACJNLGDSHQFPN-CQSZACIVSA-N 435.575 2.088 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)c1cc[nH]n1 1629459986 XUKUEEFWORAWKQ-UHFFFAOYSA-N 430.358 2.424 30 10 IEEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)NCc1ccco1 1631816361 YCWBJPFVYDYGFH-LBPRGKRZSA-N 431.290 2.171 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 1635949436 ZGWKACPWHQRBKW-UHFFFAOYSA-N 427.548 2.278 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2)C1 1636679804 SPYGADDJTRJEGX-RUJPHJKYSA-N 447.576 2.147 30 10 IEEE CC1(C)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC[S@@]1=O 1636701332 DUBJFKZJFKFELW-NDEPHWFRSA-N 439.603 2.045 30 10 IEEE CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)c1nnccc1C#N 1642583121 BOWLMSVRYDRDAG-UHFFFAOYSA-N 425.308 2.171 30 10 IEEE CS(=O)(=O)c1ccc([C@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)CCO2)cc1 1643948081 FWOJKLKMWJWPMY-QZTJIDSGSA-N 431.539 2.202 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cc(OC)c(C#N)cc3F)CC2)cc1 1671933295 DJWOBFFXMMGVIR-UHFFFAOYSA-N 448.476 2.253 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccc(Cl)cc1 1683507724 HTCDHSQUNSGYCK-FQEVSTJZSA-N 446.960 2.454 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(C)COCCO2)c1 1689870323 KHPRSOTWMMCBHI-XMMPIXPASA-N 448.527 2.145 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCCC1 1690017514 GBGXEEPBQLNPFW-NRFANRHFSA-N 446.603 2.257 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccco1)N(C)C 1690056228 KNZRYWBIWRGHHO-ZJOUEHCJSA-N 425.533 2.361 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690290712 XINQMGQNXVTHDD-UHFFFAOYSA-N 434.548 2.220 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1690321479 CFSQIIQPZWZPCW-QHCPKHFHSA-N 431.500 2.341 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@@H](C)C1 1690621822 AUFMQIGIOKOAED-RCCFBDPRSA-N 426.583 2.024 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCOC2)cc1 1690680606 WPQZVBFBWCJZPZ-MOPGFXCFSA-N 446.573 2.266 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690752971 WHNFRVSEVFMGOG-LJQANCHMSA-N 448.637 2.183 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3cccnc3)n1CCCCCCO)C2 1698485739 MBQBIVTZIWJNIQ-UHFFFAOYSA-N 433.516 2.352 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1705495750 UUXGCZLNFZIQBN-GHTZIAJQSA-N 441.601 2.087 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1705612358 FOQZVODTKRZCTC-UYAOXDASSA-N 445.589 2.183 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSc1ccc(C)cc1 1705628604 LHCOBJKFSFMGGU-GOSISDBHSA-N 448.614 2.367 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCOCC2)CC1 1705636673 TXJVPYRCBZUHNK-UHFFFAOYSA-N 446.958 2.215 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705763926 IOHUQUNYRMRQRQ-RXVVDRJESA-N 438.594 2.300 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1705825629 YQLCBKYIKKYSRH-UHFFFAOYSA-N 447.609 2.409 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCOCC2(CCC2)C1 1705907094 ZPFFEHFEQKAXDY-UHFFFAOYSA-N 429.496 2.305 30 10 IEEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1706059277 FPXVHZHIUUGCSL-UHFFFAOYSA-N 436.495 2.137 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1706601241 GWBIBPRGOVIIRY-ROUUACIJSA-N 431.585 2.046 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1708623773 FNBLHBLGJYCYKT-KRWDZBQOSA-N 447.547 2.171 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)s1 1709018088 AWQHJMNOTILHGV-IYBDPMFKSA-N 425.518 2.129 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCO2 1712452052 OXQCRSMOMCWJFG-UHFFFAOYSA-N 426.521 2.156 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1712710792 QYHMCCXPRQLFRS-HXUWFJFHSA-N 446.602 2.089 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCCCO)C1 1712875253 AVTQKMVPKKPVNP-XLIONFOSSA-N 433.509 2.348 30 10 IEEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCO)Cc2ccccc2)o1 1712881378 RLAMWEQMUROWEX-UHFFFAOYSA-N 443.467 2.437 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1722471477 YKBLAAFJZLDUDX-YADARESESA-N 432.528 2.304 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1nccs1 1722537611 PEDMCYHBQLNNGK-HOTGVXAUSA-N 439.607 2.469 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722601494 XZDOVNPATJDFOW-KRWDZBQOSA-N 440.508 2.215 30 10 IEEE C=CCCOCCn1c(C2CCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722626503 DBWJJFQBUPXGLH-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)CC1)C(C)C 1722664518 BOTNZQHIWFAFDA-PMACEKPBSA-N 430.597 2.197 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCOCC2)C1 1722744745 WJOQBTLDKKEDKW-ROUUACIJSA-N 438.594 2.307 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC=CO2)c1 1740565039 HLFGOHZOVQHPSB-FQEVSTJZSA-N 448.527 2.149 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740594836 YPPJZCDKZRXYSR-DEOSSOPVSA-N 434.544 2.291 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1740605091 NAFIVNKGLMTEPK-OAHLLOKOSA-N 431.924 2.171 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(-c2ccccc2)c1 1740633192 YUOAGIMOCBBIAL-XMMPIXPASA-N 430.512 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1740650687 JVCJTGVFKZPNDQ-DEOSSOPVSA-N 435.528 2.294 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740699136 VVSLBYMJGUHGQU-NRFANRHFSA-N 434.588 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCOC2)CC1 1740706899 HSLQWCDTQWJAHR-KRWDZBQOSA-N 442.589 2.026 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN2CCC)CC1 1740707189 SMDXNHHTXKAIJH-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](OCCOC)C1 1740750193 NVTLGSMMBJXRDE-XHSDSOJGSA-N 445.358 2.152 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1 1740796921 IBMJUSIWRQLSTI-LJQANCHMSA-N 437.548 2.170 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2sccc2C)C1 1740973595 ZVGNTPPNVWQWEW-HOTGVXAUSA-N 439.607 2.282 30 10 IEEE CC(C)(C)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)on1 1741176341 AVRBUYGSYSEBBW-INIZCTEOSA-N 449.515 2.374 30 10 IEEE CCNC(=O)C1(Cn2c([C@@H](C)OCCOC)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1746491359 PHUDVWYZEXMQRR-DYESRHJHSA-N 432.569 2.439 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1747534731 HQIAGKFOYWBIKB-UHFFFAOYSA-N 448.506 2.156 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCCOC 1748787892 KSDJUROCNZXJLR-IBGZPJMESA-N 448.612 2.430 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](OC(C)C)c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748804416 HIMBHVAZBNDKPL-WIYYLYMNSA-N 446.573 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1748823807 BSPWSELWRLBWBM-IBGZPJMESA-N 446.555 2.164 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1748900602 HIUHQBGWAMEZCE-NRFANRHFSA-N 436.535 2.305 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1 1748956738 YUYJWUJALNPNDQ-UHFFFAOYSA-N 432.528 2.371 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CC(F)(F)C2)CC1 1749005401 VZXMBECBVGPUJE-OAHLLOKOSA-N 439.507 2.013 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1749014605 KZVZHMLMBUITFI-HXUWFJFHSA-N 426.540 2.248 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749024315 MLJDXZQZAMBMQW-RXVVDRJESA-N 441.601 2.477 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1749047870 FKBDDZYQSSVAMG-KRWDZBQOSA-N 431.537 2.468 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1749445258 KTTUUDLUSDNLNY-CYBMUJFWSA-N 437.488 2.180 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1749557512 KSEKDXKQWCODKW-HSALFYBXSA-N 430.597 2.148 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(CC)s2)C1 1749721155 BIKTXTFLFRBODM-MPGHIAIKSA-N 434.566 2.246 30 10 IEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)OC)CC2)cn1 1749851501 DWMIGSSASZZLQC-UHFFFAOYSA-N 449.515 2.097 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCS1 1752387536 IBVNXPMAWNLUJH-ROUUACIJSA-N 442.589 2.391 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1752410661 BIKAEHXJXGYRNW-NZSAHSFTSA-N 438.532 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CCc2ccccc2)C1 1760217464 BXZFNNBXAZBMIN-GOTSBHOMSA-N 444.583 2.257 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)C(C)C)CC1 1760262795 AVUZJCFOPLLGIX-DEOSSOPVSA-N 425.577 2.234 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2OC)CC1 1760389378 JQPXQHGEVPBCEV-QGZVFWFLSA-N 432.546 2.402 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCS(C)(=O)=O)CC1 1760405156 MZLHUYAWWGWDRD-UHFFFAOYSA-N 437.591 2.107 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760431298 KOZJKIAXFYWHQJ-UHFFFAOYSA-N 439.564 2.143 30 10 IEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1760448612 JNHSOIHAISJXED-UHFFFAOYSA-N 437.541 2.149 30 10 IEEE C=CCN(c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1760473747 FEEYQWVMFSKGEN-QGZVFWFLSA-N 441.623 2.053 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760522631 XWAXOTXIPDKMKW-UXHICEINSA-N 430.597 2.033 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760565301 TWWMZBDUWZFKLL-OAHLLOKOSA-N 446.537 2.095 30 10 IEEE CC1(C)CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1761556784 SAOGXMCRMDFUBJ-MRCUWXFGSA-N 435.532 2.417 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)cc2C)n1 1762460983 ZUFCYCJRBJRQIU-OAQYLSRUSA-N 434.548 2.291 30 10 IEEE CCOCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)CCC1 1768065327 YXUCFIYCESAXJX-AVRDEDQJSA-N 433.553 2.256 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1770433109 WFLKFUBWEVPUMC-YCRPNKLZSA-N 426.546 2.339 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1)[C@H]1CCN(C)C1=O 1850379596 LRQDODXBUMBYMJ-XLIONFOSSA-N 436.560 2.070 30 10 IEEE N#Cc1cnc(NC(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)c(Br)c1 1851185472 FBRYLUIRSMOTFB-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE C[C@H](Oc1cccc2c(O)nccc12)C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851249280 CZYUVPXNXBGITL-KRWDZBQOSA-N 447.495 2.340 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CC2=O)cc1OC 1851305298 SVVDNAFZNKJKEK-SFHVURJKSA-N 434.496 2.277 30 10 IEEE COc1cccc(-n2nnc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)c2C)c1 1851497593 PHHAIAKHLJTDBM-UHFFFAOYSA-N 431.396 2.068 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@@H]2CCCN2c2ccccn2)cc1 1851514719 TVCPEZDCYGIXCO-YADHBBJMSA-N 436.512 2.245 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)C[C@]34CCOC4)cnc2c1C#N 1851780322 GBHMIHSEKRYZRV-DEOSSOPVSA-N 430.512 2.335 30 10 IEEE C[C@H]1Oc2ccccc2N(CC(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)C1=O 1852040788 CJLRRRQWLDBWSS-LLVKDONJSA-N 433.408 2.061 30 10 IEEE Cc1cc(C(=O)c2cnc(N=CN(C)C)s2)cc(C)c1OCC(=O)N1CCOCC1 1852271089 PUPVQWAFKAEXOG-UHFFFAOYSA-N 430.530 2.450 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 1852328919 UDTZIVAAYYWMRX-SIKLNZKXSA-N 436.464 2.483 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)c2n[nH]c3c2CCc2ccccc2-3)CC1 1852879693 CSPMDGYLLOUTRD-UHFFFAOYSA-N 428.496 2.421 30 10 IEEE Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)cc1C#N 1854506859 LEUJQDDIIZNURO-IBGZPJMESA-N 429.542 2.041 30 10 IEEE C=CCNC(=O)C(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861507359 GMZVOYQTALTRBO-UHFFFAOYSA-N 449.463 2.022 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCO)cc(OC)c1OC 1862566904 GLSAJHMCUJCEMM-IBGZPJMESA-N 442.468 2.255 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 1862736573 ZZOQDWHBTBMULF-SFHVURJKSA-N 427.388 2.448 30 10 IEEE C=CCn1nc(C(=O)N2CCN(c3ccccn3)CC2)c(I)c1C 1871335763 CKARCNNEJKLILG-UHFFFAOYSA-N 437.285 2.340 30 10 IEEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871673523 BZDYUMSQCUOOOA-UHFFFAOYSA-N 439.608 2.418 30 10 IEEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c(OC)c1 1874279507 CIFXMCXNDCOKAL-OOXYOOLHSA-N 447.561 2.376 30 10 IEEE CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C1 1890090318 MOZOEWNSISQLPR-GIVPXCGWSA-N 428.558 2.079 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)C1 1991985937 NJQAYYHUSZVNEL-FQEVSTJZSA-N 425.526 2.088 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2128717207 CEVHBHOTZBIHNT-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2174785012 UIKJCALOKDMNAU-ZIFCJYIRSA-N 426.498 2.421 30 10 IEEE N#CCc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cc1 2174787936 ZIGOYBPMCXOVSI-VQTJNVASSA-N 429.498 2.115 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CO 2216856228 DZOSSQIPTQIPRH-BPKGMFCQSA-N 439.553 2.046 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2235731244 WQMJHRIGHNQGHI-FGTMMUONSA-N 439.350 2.385 30 10 IEEE C#CCN(CC(=O)Nc1cnn(CC)c1I)C(=O)OC(C)(C)C 2242917581 YPWXPGDYZIGXGY-UHFFFAOYSA-N 432.262 2.316 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)CC(C)(C)O)c1B1OC(C)(C)C(C)(C)O1 2255631540 AKOBZHNVKURYTL-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255655234 JOMPHDIWUGYJGO-AWEZNQCLSA-N 435.305 2.259 30 10 IEEE Cc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998984 VMYBWHHWOCRBNZ-IBGZPJMESA-N 438.381 2.374 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2267163506 HPDGBXWZOQUJAG-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CC[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2267185956 CONAHVSHXLEKNU-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(Cc2ccccc2)C1 2267193562 HHWZJBCXFPKRKH-IBGZPJMESA-N 438.381 2.456 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267270512 MHGOBOMXVRHBOV-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE C[C@H](NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267278285 APMKTLGFGSCMFD-HNNXBMFYSA-N 446.353 2.086 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 2267495188 KDUJSTTYLFGHEB-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2267589729 FCWKYQXCYUPYKJ-HOTGVXAUSA-N 443.353 2.462 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2268792580 FSLOACOESGVEAM-GOSISDBHSA-N 448.369 2.220 30 10 IEEE C[C@@H]1CC[C@@H](C2OCCO2)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861564 PMTSMWTWMNEKGR-KGLIPLIRSA-N 443.396 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CC(c2nc(=NS(=O)(=O)c3ccc(C#N)s3)s[nH]2)C1 2296452336 PZNQPOALQLTHNK-UHFFFAOYSA-N 427.533 2.028 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2cccc(F)c2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296947694 OUDJQVDXHIZPDA-GOSISDBHSA-N 430.388 2.165 30 10 IEEE O=C(COC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1)Nc1ccc2c(c1)OCCO2 2297350217 SXLNNUXNHNOHMD-UHFFFAOYSA-N 442.390 2.297 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](O)C#Cc1ccc(Br)cc1 2313897969 ILHZBMQAJHJACK-HUUCEWRRSA-N 432.336 2.099 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2315295649 OUFQUMWBOPYUIK-CQSZACIVSA-N 436.362 2.378 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CCO)COCc2ccccc2)n1 2343462809 VSNMCOJAEQCSKF-IBGZPJMESA-N 440.349 2.387 30 10 IEEE C#CCO[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364193276 SNWMYEGTWVZSPD-GOSISDBHSA-N 432.542 2.287 30 10 IEEE COc1cc2c(cc1OC)CN(S(=O)(=O)CCCNC(=O)c1cccc(C#N)c1)CC2 16979826 UIVDIMNUJBBLOM-UHFFFAOYSA-N 443.525 2.083 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cn1 20827749 YHYLAHPXRGPHAN-SLSPDHCBSA-N 427.538 2.185 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N 21319833 KTVOGAXKOCMMLW-LVCXCXRVSA-N 425.518 2.416 30 10 IEEE C=CCNC(=O)CN1CCN(c2nc(CN3CCCC3)nc3sc(C)c(C)c23)CC1 28623823 SYVUACCISJOWPA-UHFFFAOYSA-N 428.606 2.328 30 10 IEEE CC[C@H](C/C(N)=N/O)NS(=O)(=O)c1cc(Br)ccc1Br 54163470 COUNBFCBAUAQEI-MRVPVSSYSA-N 429.134 2.405 30 10 IEEE C#CCn1/c(=N\C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCO3 101133970 TXRUBFMZKFDALE-QZQOTICOSA-N 428.491 2.107 30 10 IEEE CN(C)/C=C(/C(=O)C(F)(F)F)c1nnnn1-c1ccc(I)cc1 138507752 MQQYZFMNOIOXEW-YFHOEESVSA-N 437.163 2.301 30 10 IEEE COc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)ccc1OCc1ccccc1 169883457 VGICYMXYFRRNFV-UUYOSTAYSA-N 440.481 2.414 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(C#N)cn2C)c1 433523174 ABKRIBIORODMLI-UHFFFAOYSA-N 445.545 2.016 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 460773079 JFLXIIWRAWYQFK-LJQANCHMSA-N 431.562 2.356 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cn1 462087571 YNKQFQHJWPWSRI-FQEVSTJZSA-N 435.463 2.473 30 10 IEEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCN(CC(F)(F)F)CC1 470944610 HAXSDSYNNPSPCX-AWEZNQCLSA-N 446.495 2.271 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CCC(=O)N(C)C)CC2)n(-c2ccccc2)c1C 473210745 VFWAVPKRKUFSCA-UHFFFAOYSA-N 436.560 2.000 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)Nc3cn[nH]c3)c3ccccc3)cc2C1=O 495452911 XPSCLCWFEIIOLK-LJQANCHMSA-N 429.436 2.302 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ccc(C#N)cn2)CC1 497490639 GXZGJEUOMHNUAH-UHFFFAOYSA-N 429.528 2.194 30 10 IEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508797967 QDMZIYFVQIOGRC-GOEBONIOSA-N 440.483 2.275 30 10 IEEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)c2)C1=O 518228749 XVZYVKJGRJYBEC-NRFANRHFSA-N 442.472 2.401 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccc(OC)cc2)c1=O 533120218 ZFLICYHMQNIVMW-UHFFFAOYSA-N 448.548 2.055 30 10 IEEE Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nnn1-c1ccc(OC(F)F)cc1 546172376 PHFNSHXPFPZZKE-UHFFFAOYSA-N 439.426 2.406 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1C 549214429 UCVFRZBFWPYRID-IBGZPJMESA-N 449.577 2.011 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 549355644 YDYPWAZLMMYCSS-QHCPKHFHSA-N 438.532 2.262 30 10 IEEE C=CCSCCNC(=O)C(=O)NCc1nc2cc(Br)ccc2n1CC 560672939 NCCNVIBZJRGRBE-UHFFFAOYSA-N 425.352 2.470 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(CC(=O)N2CCOC[C@@H]2C2CC2)CC1 611530715 XQIJQEKKRLEEFX-WOJBJXKFSA-N 447.377 2.269 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cc(Cl)ccc1N1CCOCC1 619595729 KASXUZNJMXKVEX-UHFFFAOYSA-N 436.877 2.435 30 10 IEEE CS(=O)(=O)Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)oc2ccccc12 726729224 QNJNMVOSGGNAQF-UHFFFAOYSA-N 432.479 2.109 30 10 IEEE CCn1c(SCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)nnc1-c1ccco1 734292343 JUVZFLKYGQEZJN-UHFFFAOYSA-N 431.499 2.335 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)c1ccc(C#N)cc1 750426105 OVMVUXGIGDEWTK-INIZCTEOSA-N 442.229 2.368 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 753502657 KJNPWAHFKFXHBH-LRDDRELGSA-N 444.315 2.310 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2nn(CCCCCC)c(=O)c3ccccc23)CC1 758648086 FBQNZLDUHSUVJP-UHFFFAOYSA-N 439.560 2.037 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(C)OCCO2)c1 758863740 DNRCIEWDPKQJJV-GOSISDBHSA-N 448.589 2.148 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 764431497 ZBJLCZHLKXUABM-QGZVFWFLSA-N 426.477 2.494 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CCCC1 779314850 AQKKOSRYHADSDU-KRWDZBQOSA-N 435.521 2.137 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]2C1(C)C 782396409 LZYACOCFESRKTD-ZDPZECHZSA-N 437.537 2.390 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1 782457392 JCKIPFOXQCQNEQ-UHFFFAOYSA-N 434.477 2.232 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCCC1 786297705 ZERSYINSBWBINS-IBGZPJMESA-N 449.511 2.300 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(C2CC(N3CCCCC3)C2)C1=O 794448692 GPVCXJLDURCSLM-OFLPRAFFSA-N 431.562 2.175 30 10 IEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(C)(C)S(C)(=O)=O 802562994 GPDGWLPBVZRMHN-UHFFFAOYSA-N 430.534 2.429 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C#N)(c2ccccn2)CC1 807478527 UTPHNZRBVXHCDZ-MRXNPFEDSA-N 430.505 2.312 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 810805009 NQONOPMTAIXSOG-OPAMFIHVSA-N 449.573 2.221 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 914493530 YBDJONZUAGOOTL-UHFFFAOYSA-N 448.589 2.049 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 1136630309 NCDHHRUQZNDKHO-LSDHHAIUSA-N 429.926 2.349 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)CC1 1137371191 HMSXAMHIURYHDY-QBUQCISBSA-N 428.920 2.319 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCc1ccc(N2CCCCC2)cc1)c1cc[nH]n1 1141655809 PZSPRUMCYJGXAD-UHFFFAOYSA-N 427.505 2.043 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)c1 1144281310 MNINABPDRHOCJK-JAXLGGSGSA-N 441.601 2.365 30 10 IEEE CCNS(=O)(=O)c1ccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1149682929 XCXKRILIAYHHBC-UHFFFAOYSA-N 449.573 2.252 30 10 IEEE C#CCN(CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)C(=O)OC(C)(C)C 1161251078 RCVSHIDXUDMIMV-UHFFFAOYSA-N 437.294 2.040 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1162223059 BUKBWVWXKODVBE-JHBCHSCWSA-N 440.500 2.386 30 10 IEEE CN(C)CCOc1cc(CNS(=O)(=O)c2cc(Br)ccc2C#N)ccn1 1211385721 HPQRFEVWBGQRHU-UHFFFAOYSA-N 439.335 2.135 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)[C@H]1CCCO1 1226724593 LJKQLCZMSMGZJI-WOJBJXKFSA-N 433.574 2.181 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286321734 AGNDFEAFKCXOFH-KRWDZBQOSA-N 438.532 2.127 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2([S@@](C)=O)CC2)CC1 1286484617 TUCJXTRSAMVTEE-WJOKGBTCSA-N 441.601 2.086 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286545545 YZNWGXDIOVAGMS-GOSISDBHSA-N 433.310 2.203 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1286663602 NZGJDHYHQHOHMS-PMACEKPBSA-N 430.597 2.127 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1286673325 WGJWJHKNGABNPB-INIZCTEOSA-N 439.582 2.061 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286709883 HRYBGFQXGSZFFE-SFHVURJKSA-N 443.552 2.238 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCCC)CC1 1286788873 JDLRNNDGYGKYMC-UHFFFAOYSA-N 442.539 2.053 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2)CC1 1286825509 RLDBMCNXXWGLKL-LJQANCHMSA-N 431.562 2.057 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1288272024 FBIPLVMJPQMUCA-HNNXBMFYSA-N 429.550 2.493 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1295161406 DFWKSRKSGVEQHM-NQIIRXRSSA-N 431.562 2.237 30 10 IEEE CC(C)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2nc[nH]n2)no1 1295424915 SDHSFFLBRZOQDY-INIZCTEOSA-N 443.508 2.319 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(C#N)CC1 1298102436 XKURWBMTCRJWQS-UHFFFAOYSA-N 437.957 2.015 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1298390348 CXUAQYPVBQJHOK-UHFFFAOYSA-N 439.545 2.011 30 10 IEEE COc1ccc(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1300106503 DCBBEKGQHYQORY-YLJYHZDGSA-N 438.532 2.017 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1300338885 ITYQYTBKVOZMJH-SFHVURJKSA-N 436.626 2.147 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1300488935 XMUMIOPRMSAMFO-SFHVURJKSA-N 439.541 2.287 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(OC)c(F)c1 1300511945 DZTHCKZGQUSAKT-HSZRJFAPSA-N 426.492 2.393 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(OC)CCOC1 1300638451 FGZTVDVTQWGWMV-LEWJYISDSA-N 431.468 2.113 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccc2c(c1)OCO2 1300663619 BVZOKZQZAZSTPF-UHFFFAOYSA-N 436.516 2.471 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1301187044 OGUREZOMBLVFJZ-GOSISDBHSA-N 438.580 2.475 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301211052 CELKQYMJVHFMBR-QGZVFWFLSA-N 447.561 2.201 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccnc2OC)C1 1301568133 OVJUIVYOANRAOF-OTWHNJEPSA-N 429.521 2.235 30 10 IEEE COCCN(CCC#N)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCOC1 1301800313 YFEXDMJIWKIORM-QFIPXVFZSA-N 425.533 2.266 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C2CC2)n(C)n1 1304065842 HTZPNOKSZMLSLT-QGZVFWFLSA-N 429.546 2.067 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 1304216324 IBRMIOCKPHZLAY-UHFFFAOYSA-N 441.513 2.488 30 10 IEEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1308138350 XFOMZMHFNWPHNF-INIZCTEOSA-N 427.517 2.228 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1313475323 DMCDSYFFSYJLEH-HNNXBMFYSA-N 432.912 2.252 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1314440873 CJHSKWHGDYHAFS-AZUAARDMSA-N 427.505 2.007 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C)(C#N)CC1 1314548873 HWJHVQZQFFSGCC-UHFFFAOYSA-N 431.566 2.108 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2ccccc2OC)CC1 1316211309 SKBHCNPOJIARDD-ZWKOTPCHSA-N 441.532 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCC1 1358874858 DYZIFDGVLWDEOZ-HNNXBMFYSA-N 430.578 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1358881039 YCLJRAIFQUZDCJ-QGZVFWFLSA-N 447.547 2.027 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1358963523 JQBNKIUVVAKFDM-LPHOPBHVSA-N 430.530 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCNC(=O)c1cccc(O)c1 1358981141 XYZDCNKWJBCLRN-UHFFFAOYSA-N 448.552 2.232 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[C@@H](O)C2)n1 1359027740 UTBFUWRVABGOKR-AZUAARDMSA-N 437.548 2.307 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1359064509 USYDCFWRGBBXDP-JLTOFOAXSA-N 435.525 2.076 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1359064633 XJCOIOPBYHYHAV-FOIQADDNSA-N 435.525 2.099 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCNC(=O)Cc1cccc(F)c1 1359068825 PXGMBVNEIXTSAZ-HSZRJFAPSA-N 435.507 2.169 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1359112365 HVVFVGKZIBGNFO-FDDCHVKYSA-N 441.580 2.394 30 10 IEEE C=CCn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OC(C)C)CCOC1 1359290374 YKRZOHPOURTOEH-IERDGZPVSA-N 449.577 2.350 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359294231 OLCPVAXOXJKYEX-JXFKEZNVSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359302171 YLBGBKPYLKOSDR-BBRMVZONSA-N 441.429 2.466 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C2CC2)C1 1359315540 WORTVDDUJYJSOB-GOSISDBHSA-N 426.477 2.161 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1359474253 PGYIFKYRSNTDTR-KBAYOESNSA-N 428.562 2.291 30 10 IEEE CC(C)(C)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359549628 VYICJMWAPKMKIO-XDOYNYLZSA-N 449.559 2.392 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCn1c(O)nc2ccccc21 1360203420 FRXFOAWQWQFOCG-UHFFFAOYSA-N 436.520 2.302 30 10 IEEE N#C[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1cccc(Br)c1 1446187053 LOWMGAUHZOSUBZ-HNNXBMFYSA-N 441.282 2.029 30 10 IEEE C=CC1(CC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1448432181 BHMMQTSBJKLJEU-UHFFFAOYSA-N 441.594 2.216 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1 1456805772 PZANMUBODBTGEM-NXHRZFHOSA-N 435.546 2.421 30 10 IEEE CC(C)(CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1COCC12OCCO2 1478476017 GOHVLFGDDNFWEG-CTWPCTMYSA-N 444.532 2.358 30 10 IEEE CC(C)[C@@H]1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1478668945 ABFLIPMNWNFJNE-QUCCMNQESA-N 434.562 2.025 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1492492376 ASCYBRKVHOMEOD-YJBOKZPZSA-N 431.562 2.472 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1500001266 NBVAEHQQWPJFJF-WDSOQIARSA-N 432.569 2.294 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507581289 PUIRTDZFPBZIRI-OYRHEFFESA-N 449.603 2.380 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NCCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507598464 FZKQVLJKRDQBHU-AUSIDOKSSA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507623967 ZUVUXAYESHTWQP-ZWDAVXSWSA-N 448.564 2.465 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631520 FEAIMQUHUGOYBO-UYAOXDASSA-N 444.557 2.225 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@H](C)N1CCCCC1 1507710930 WZOHQPDWWYHUAJ-SFHVURJKSA-N 442.564 2.356 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1ccc(F)cc1 1507713281 DFGXTSCFIJNKAB-QHCPKHFHSA-N 440.523 2.273 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](OCCOC)C1 1507804666 LSCIQMRMQVEYJO-VWPQPMDRSA-N 427.549 2.487 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507808706 HMWSFJGMWWPDDU-RBBKRZOGSA-N 443.596 2.242 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507843844 WANRGKQFOATPRE-QFIPXVFZSA-N 430.553 2.343 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507957169 DEFCMNQUUPKSAZ-XJKSGUPXSA-N 449.353 2.343 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1507967631 MBHJAOZXDOGZIW-DLBZAZTESA-N 426.583 2.024 30 10 IEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)OC 1513438966 CBVNVTPQRMRDGJ-LJQANCHMSA-N 446.577 2.102 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC[C@@H]1C 1518633465 MCZBCQSJFPSZEZ-PWIZWCRZSA-N 427.505 2.005 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1(C)C 1518639438 XHTGBZLCAFOFTC-LJQANCHMSA-N 426.521 2.116 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nccs1 1519286127 UPOPUXHSTTWPOF-CYBMUJFWSA-N 441.517 2.042 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1519515743 UKSWSVKTIMYGML-MAUKXSAKSA-N 433.534 2.089 30 10 IEEE Cc1nnnn1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1 1534105862 GWSANEHNOWIWFX-FCDQGJHFSA-N 439.501 2.036 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccc3C)CC2)s1 1538561217 BAWHQHMGCRGSSU-UHFFFAOYSA-N 433.599 2.408 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N(C)C1CC1 1539232520 GNSGPFQEZDQOSM-KRWDZBQOSA-N 438.963 2.417 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1539557044 KOBWSFDHZBCQLA-SIKLNZKXSA-N 447.605 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1 1539638161 XCVBXCJMTPEWBO-WFXMLNOXSA-N 425.533 2.170 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539729698 RIABYPPUFCETIK-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1540064370 QPFRHHQHJICERN-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(C)C)n1 1543065036 FFODFJPPSXJSDI-HXUWFJFHSA-N 426.569 2.131 30 10 IEEE C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)c1ccc(I)cc1 1544337191 ODNBGAHDWQWZSD-OAHLLOKOSA-N 441.313 2.469 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CC1 1554550171 ALQGESVXPFQXNL-AWEZNQCLSA-N 443.508 2.223 30 10 IEEE CO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1554620260 ZRTBWEINXHQWDH-STQMWFEESA-N 425.415 2.489 30 10 IEEE COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@H]1CC[C@@H](C)C1 1555536922 AMFCPMNCHCRDNY-ZACQAIPSSA-N 447.561 2.335 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCSCCO)C[C@@H]1C)C2=O 1565538764 RXVPOSUKGVDNHH-PRWKNARSSA-N 441.933 2.479 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CCC2)C1 1587317276 KNLQDAXAAXMRIB-WZONZLPQSA-N 432.565 2.117 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588049177 BGZOBJRTUTXTBD-RTBURBONSA-N 444.605 2.020 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cnn(C)n2)CC1 1588780921 YULHDRFKUXDEAG-UHFFFAOYSA-N 442.930 2.254 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1 1595607604 IHZPMUQQNLOVJW-ZACQAIPSSA-N 449.577 2.115 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595650226 ZHWUNGWXWIAPHD-GCJKJVERSA-N 438.576 2.188 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OCC 1596595840 MCRMXFRGGVROKH-DOTOQJQBSA-N 425.551 2.073 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)cc1Br 1612045595 MCFUYLNBIVCZKC-JKSUJKDBSA-N 448.321 2.160 30 10 IEEE C=CCC1(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CCOCC1 1616932628 KQRVQAWIDSQLHQ-UHFFFAOYSA-N 448.589 2.481 30 10 IEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CC=CCC2)C1 1620171300 XTRMCXGRYDPMPI-PKOBYXMFSA-N 448.593 2.097 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1624893941 MRDPJXQGOSKXJO-UHFFFAOYSA-N 429.498 2.345 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 1627014768 DJJVIEQAAGYCDJ-RXVVDRJESA-N 432.362 2.010 30 10 IEEE C=CC1(CC(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)CN(C(=O)OC(C)(C)C)C1 1632428962 FFRUADUOLVCGLI-CQSZACIVSA-N 431.497 2.481 30 10 IEEE N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c(=O)nc1O 1633549879 CPKHKIQTLOIHDH-LEWJYISDSA-N 430.464 2.319 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 1633958815 SHUXBGWOYWXQAH-GCJKJVERSA-N 447.557 2.260 30 10 IEEE O=C(N[C@@H](CO)CN1CCOCC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1634801424 XOKXIQOEDNSYFH-CYBMUJFWSA-N 432.336 2.399 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCN(c3ncc(I)cn3)CC2)c1 1635091090 RZLCQRPUMHXVNY-UHFFFAOYSA-N 437.216 2.054 30 10 IEEE C=CCONC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1635640774 NNDPOZMITHIPQF-UHFFFAOYSA-N 442.497 2.133 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)CCO2)cc1 1636289530 SNRHQFVOYVCQOR-QFIPXVFZSA-N 448.504 2.390 30 10 IEEE C#CCN(C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)[C@@H]1CCCc2ccccc21 1638311738 YFORHHSNOJVXQC-HSZRJFAPSA-N 446.551 2.484 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(C)OCCc3sccc32)s1 1641927518 HBVJWJUXXNPVCO-SFHVURJKSA-N 426.585 2.421 30 10 IEEE CN(C)CC#CCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1643409932 ZTCOFCKKYYADGS-UHFFFAOYSA-N 446.617 2.146 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)C3(C(=O)OCC)CCOCC3)ccc2c1=O 1648074218 FDVZLFDFBAHQAM-AWEZNQCLSA-N 445.541 2.349 30 10 IEEE O=C1NCCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1C(F)(F)F 1658202099 JJCYCAPHUCVUQQ-LJQANCHMSA-N 441.409 2.478 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 1671185569 XVTCJDMBLKBANV-IEZWGBDMSA-N 433.505 2.097 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(n3cc(Br)cn3)CC2)c1 1671392476 BJBMVQBWKAAMTA-UHFFFAOYSA-N 439.335 2.029 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1672601639 WCAWVURDFWNIES-UHFFFAOYSA-N 435.546 2.252 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2)c1 1676331291 LPBACOUOSZBTGV-NRFANRHFSA-N 425.533 2.172 30 10 IEEE CN(CCOCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)OC(C)(C)C 1682840343 GAEIGQKUSFWNGJ-FQEVSTJZSA-N 445.564 2.289 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3cnccc3C#N)CC1)CCS2 1684576101 OSFJLVKWNLVMTJ-BATSVXPKSA-N 429.546 2.002 30 10 IEEE C[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC2(CCC2)C1 1687655063 FHRMKNJHPVXOSQ-OAQYLSRUSA-N 446.573 2.314 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(OC)c(OC)c(OC)c1 1690025219 IZUAVWZJAKHSBF-UHFFFAOYSA-N 448.527 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccccc2F)CC1 1690144251 RIJNBZYNDOZECK-UHFFFAOYSA-N 433.491 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1CC 1690206268 LDGIYFOMOXDLTB-ZVVDCOBXSA-N 449.621 2.429 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690465449 AZZUOSMXFMECOX-UHFFFAOYSA-N 446.559 2.441 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690595220 QYXCBDLTEXWBSK-OTWHNJEPSA-N 435.594 2.165 30 10 IEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690649627 GDBMOKNVXIZXDD-FQEVSTJZSA-N 438.532 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690663610 BIYONWSJIQMBEX-KRWDZBQOSA-N 428.924 2.102 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690667031 OFDZABBQWDXYMO-UHFFFAOYSA-N 436.560 2.476 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(=O)NC)c2)C1 1690694585 RKVCBCDCLWDZIZ-FQEVSTJZSA-N 435.532 2.062 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1690918069 OKOFPMWUVFPSII-FPOVZHCZSA-N 436.516 2.179 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1691494270 UFEMILMFDPDXSH-KRWDZBQOSA-N 432.475 2.449 30 10 IEEE CC(C)CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692455294 KHGPSJCQKOENFT-IBGZPJMESA-N 445.637 2.356 30 10 IEEE Cc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)c1 1693163538 GTQCATWMOTURLO-QGZVFWFLSA-N 446.515 2.402 30 10 IEEE CN(CC1CCCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696746785 HFXONOIFTQNAHF-DPPKGPFUSA-N 428.537 2.325 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1697733149 VURWEDPRDLPXKT-PKOBYXMFSA-N 438.532 2.116 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)COC 1698158817 XYTNQKCSFZLILF-HNNXBMFYSA-N 444.536 2.210 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(=O)OC)C1 1705514602 CGSRPPLMUDFEFU-MRXNPFEDSA-N 444.561 2.041 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2CCN(C3CC3)CC2)CC1 1705643841 BQKCZKQPBGIWEZ-UHFFFAOYSA-N 426.609 2.416 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705810642 CYEAZFJNVROKJN-UHFFFAOYSA-N 440.552 2.475 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1705924352 CSCYDQMQBQDPDT-JKSUJKDBSA-N 437.953 2.058 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncccc2N(C)C)C1 1705927953 JKOUSXUHTSYIHU-WFXMLNOXSA-N 442.564 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H]1CC 1705939168 SSADDABRTIOROM-XSLAGTTESA-N 426.583 2.228 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C 1707799732 XEWSTSBEOWBPEQ-UHFFFAOYSA-N 436.564 2.382 30 10 IEEE COc1ccccc1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1711989624 UTFMHGQJFHXNCU-XXBNENTESA-N 441.532 2.299 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nncn1-c1ccccc1 1712529596 AVXTTWZCWNUSCO-KKSFZXQISA-N 440.483 2.073 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC(=O)N2)C1 1712875609 FWDJXAPTIAZUTM-XIKOKIGWSA-N 433.285 2.428 30 10 IEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1722372494 XWODVGOLBVVMKK-GOSISDBHSA-N 441.557 2.013 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C)nc(N2CCCC2)c1 1722386929 BRORGFMBGWTUNJ-GMAHTHKFSA-N 448.571 2.427 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1722415662 FPZQDONQVZDXOW-GOSISDBHSA-N 436.560 2.437 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)C(C)(C)C)CC1 1722449853 RBEYJHSYXZCGSS-UHFFFAOYSA-N 442.608 2.139 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722481802 AYACMMAVZUOKDV-CABCVRRESA-N 447.399 2.484 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722533654 WQQDLLVRXHVCTI-KRWDZBQOSA-N 449.502 2.081 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCC(=O)N(C)C)C1 1722720582 FDAAYERLPNYCSV-LJQANCHMSA-N 437.548 2.166 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCC1 1722900876 ULNIBAIMDZUJRI-UHFFFAOYSA-N 444.561 2.078 30 10 IEEE CC(C)OCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723714909 YZHJPQDBBOGCNH-GOSISDBHSA-N 449.563 2.475 30 10 IEEE C[C@@](O)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1723972615 HWLUYTQPDFTWNT-YCRPNKLZSA-N 427.436 2.226 30 10 IEEE COCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1 1730923666 YNPTYKXGWZIEHT-NRFANRHFSA-N 430.484 2.252 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1)C1CC1 1731005719 GFZYHVZBQMVIDS-UHFFFAOYSA-N 427.530 2.177 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(-c2ccccc2)n1 1740558608 UEGGQTIQCXOTMO-INIZCTEOSA-N 446.540 2.357 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740594708 AKHYMSZXWHQHHF-PNLZDCPESA-N 443.573 2.456 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1740613682 QJIYJVMNXQFBAZ-UHFFFAOYSA-N 430.516 2.359 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H](C)N1CCN(CC)CC1 1740641817 NUUQELDTBUDGKZ-QFIPXVFZSA-N 434.588 2.264 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1740725740 UGNUNBHTYZZHPI-OPAMFIHVSA-N 438.557 2.477 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740752713 ZUCGNZFLEHLRBE-VUHPKUFZSA-N 426.521 2.114 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740954326 JCGNKFONUBRMAB-UHFFFAOYSA-N 440.548 2.378 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1741931310 MNTFKLXFBNJBNF-RYUDHWBXSA-N 446.455 2.180 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@H]1C 1746455492 QJPZGNAKAASSKS-WZONZLPQSA-N 440.548 2.065 30 10 IEEE CCOCc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1Cc1ccc(C#N)o1 1747178111 NHSDEURLCHXJEU-UHFFFAOYSA-N 438.463 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1748642891 RAOKOQQKEUDWOE-HXOBKFHXSA-N 425.533 2.118 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748816984 BVULAAXVINPZFE-GOSISDBHSA-N 446.573 2.169 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1CCC(O)CC1 1748830116 OWDFXOSCGXLKPA-IBGZPJMESA-N 439.535 2.477 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cnn(CCOC)c1 1748852936 QXFPBNBFADOTGJ-UHFFFAOYSA-N 427.512 2.314 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1748922561 CPKKPDYETMUZCP-SFHVURJKSA-N 447.543 2.049 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1748935461 UIOLWGLFWPMGJI-UHFFFAOYSA-N 443.861 2.314 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@H]2C)CC1 1748983156 KKFZBEJTBDOMOF-QGZVFWFLSA-N 446.958 2.214 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1749024579 VKCNPEUTOACBSH-IRXDYDNUSA-N 432.571 2.083 30 10 IEEE COCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749285952 FSLIQDXTELYUEP-SFHVURJKSA-N 429.594 2.483 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749370572 KOXJNZPWGCICLF-SFHVURJKSA-N 437.548 2.339 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1749586957 BVOUFTMNRTWUGP-UHFFFAOYSA-N 442.545 2.204 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCOCC2)C1 1749703545 KEOHHHSSASFOAQ-IBGZPJMESA-N 425.533 2.284 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1760210629 RTNYFYUKEUVEOY-VGSWGCGISA-N 426.542 2.192 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760248998 SYIRNAKRJMOGHZ-PMACEKPBSA-N 443.571 2.368 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCCCC)CC1 1760258311 SVMFILKCPABNFU-UHFFFAOYSA-N 434.548 2.056 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cnc3ccccc32)CC1 1760381845 BUXJEDCJDPJMNZ-INIZCTEOSA-N 429.550 2.095 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760448894 SUFXIKNPGNBFKZ-UHFFFAOYSA-N 449.559 2.302 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1760464598 LCTADVPCBUIWQB-HNNXBMFYSA-N 435.516 2.077 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760500498 LTVRGPDXOFGXET-RTBURBONSA-N 448.612 2.041 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(CCOC2)C1 1760526153 GBVVAOOKEKHUGZ-HSZRJFAPSA-N 425.533 2.393 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1ccc(F)cc1 1760687198 GVUGSDUILWFGFA-CQSZACIVSA-N 436.451 2.299 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1767257457 QKVQXHZCJXYXCA-UHFFFAOYSA-N 429.521 2.051 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C#N)o2)CC1 1767835309 YGKAXXFDONNYFS-UHFFFAOYSA-N 449.515 2.448 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1770138552 QNLXDYIMUBJOCJ-OALUTQOASA-N 441.488 2.374 30 10 IEEE COc1ccccc1O[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1770486876 BJJNNQVKAXVLHR-BTYIYWSLSA-N 430.484 2.334 30 10 IEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC2=CCCCC2)C1 1771362258 WWXPYAHXBIBIBR-IBGZPJMESA-N 448.593 2.241 30 10 IEEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(N3C(=O)CS(=O)CC3=O)cc2)CC1 1851358692 BHKTWXXHDVUQPV-UHFFFAOYSA-N 435.505 2.006 30 10 IEEE Cc1cc(F)ccc1NC(=O)CCC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851629824 FKNSZIOSMSUJNQ-UHFFFAOYSA-N 439.491 2.485 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)Cn1cnc2ccccc21 1851792207 FLULLSOQQVRYRK-UHFFFAOYSA-N 430.921 2.383 30 10 IEEE CS(=O)(=O)N1CCC[C@H](C(=O)OC[C@@H](C#N)Cc2ccc(Br)cc2)C1 1852972313 QPAOFRMTDMNYMA-CABCVRRESA-N 429.336 2.346 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)cnc2c1C#N 1853349449 ZIKAGBLAYWCFHV-UHFFFAOYSA-N 429.889 2.170 30 10 IEEE Cc1ccc(C(=O)N2CCCN(C(=O)CCON=C(N)c3ccc(C)n3C)CC2)cc1 1853408060 WBYZVIAVHIMKLD-UHFFFAOYSA-N 425.533 2.044 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccccc1Cl 1854556823 SKXBYFHZQWZLSV-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1864954157 YCIOEHBLNFUTQS-MRXNPFEDSA-N 427.461 2.466 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1cc(OC)c(O)c(OC)c1 1864954688 FCWKEPIMSHKXII-QGZVFWFLSA-N 428.489 2.321 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870982720 DSABVAGJCQINQU-SFHVURJKSA-N 437.500 2.197 30 10 IEEE C#CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871006720 UDOCERBPLRUDTB-QHCPKHFHSA-N 436.556 2.403 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706718 BFWHUDVMGCRHEL-MRXNPFEDSA-N 441.492 2.145 30 10 IEEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCCc2ccccc2)sc2c1CCC2 1872707361 NNOSUQJLCGGWRB-UHFFFAOYSA-N 437.481 2.481 30 10 IEEE C#C[C@H](C)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883391447 VACYDAQYBJXTEJ-XOBRGWDASA-N 427.478 2.415 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2052712966 SYFWDMZQNPPCOM-RBUKOAKNSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)NC1CC2(C1)C[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124531366 DCMQYTJQSADYIJ-HVPFBLEYSA-N 444.341 2.408 30 10 IEEE Cc1cc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ccc1C#CCN 2146010752 UNXAXSHEACFREJ-UHFFFAOYSA-N 425.510 2.123 30 10 IEEE CCS(=O)(=O)[C@@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2179895365 VHOIZPAGHWRVLB-CYBMUJFWSA-N 445.188 2.157 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2243416620 HTOQVLWNSYIJKX-GJZGRUSLSA-N 430.376 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2243714464 KQZOUHHPYUKGJV-NSHDSACASA-N 425.316 2.322 30 10 IEEE CCC[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248402678 ZSCKNPVUWZTISF-LBPRGKRZSA-N 440.375 2.281 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2nnc(CCNC(=O)OC(C)(C)C)o2)C1 2255197693 LEHFEOYASHOKDW-UHFFFAOYSA-N 449.508 2.382 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2255625657 VCGLAFRQRIYKGN-YEJXKQKISA-N 449.382 2.490 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2255632014 HHQWZGBJMRIZSR-CYBMUJFWSA-N 434.346 2.227 30 10 IEEE Cc1nc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)s1 2255811917 TZBKJHNSTHKQCS-CHWSQXEVSA-N 449.382 2.346 30 10 IEEE Cc1c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255815729 RXTVZOSHWIVWBP-INIZCTEOSA-N 426.370 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256677356 CWMDBWBAPNETGT-QFIPXVFZSA-N 436.358 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266996941 ANTGCKWBWFGOFA-KRWDZBQOSA-N 449.332 2.316 30 10 IEEE C[C@H]1C[C@H](N(C)C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1Cc1ccccc1 2267138618 WKOJVLQHWJCNNK-HKUYNNGSSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267140153 AQQKGHSYWONKKA-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267143921 PGIGCHKNFAHGAP-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267276108 XZZRCIJHOQMTIW-USXIJHARSA-N 445.369 2.452 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267537738 RASLMTCUSBJJSE-INIZCTEOSA-N 446.357 2.295 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267548714 UJDKTRWGNBLDCM-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CO 2267821352 PQEHTACLDNEOPQ-BEFAXECRSA-N 447.385 2.280 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268654877 FPHCLLFYPFOVDQ-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268655533 MYZAKFPFKVSUBP-KSSFIOAISA-N 446.353 2.102 30 10 IEEE CN(CC(C)(C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2273281978 XLBWBFFYWQRSGM-UHFFFAOYSA-N 448.373 2.493 30 10 IEEE CC#CCN(CC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2300543505 IEDIZDMQILEFDY-DEOSSOPVSA-N 429.561 2.342 30 10 IEEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)Oc2c1ccc(O)c2CN1CCN(CCO)CC1 2237684 RUOPXVLKXYGDIK-DEDYPNTBSA-N 425.441 2.027 30 10 IEEE CCOc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 26477388 ZCXMVELDFURWJK-QGZVFWFLSA-N 442.541 2.290 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1NN=C1C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1 263628851 CDKJWVSQCTWBRR-UHFFFAOYSA-N 427.402 2.069 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCCOc1ccc(C#N)cc1 433181725 KPRQXRJNVONIES-ZDUSSCGKSA-N 441.431 2.439 30 10 IEEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 439916023 PJGMQZQUHRQHGO-FQEVSTJZSA-N 434.500 2.225 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCOC)[C@H]1CCOC1 460936495 ZAGVYCZXKKBDFH-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CN4CCC[C@H](C(N)=O)C4)cc3)cc2C1=O 483607050 LZQQFQHGOWXODF-SFHVURJKSA-N 446.507 2.418 30 10 IEEE CN(C)c1ccc(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1 493443729 UJVYMLNJMLQXFA-UHFFFAOYSA-N 442.520 2.442 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC1CCN(CC#N)CC1 503443160 NVUYZBLCDQLVJT-UHFFFAOYSA-N 428.352 2.126 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)CC1 503618161 ZXQUNSDNLJGSFS-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 504066872 BHTMYGYDODRRMU-UHFFFAOYSA-N 426.561 2.291 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC1 512723133 OXYVLGLPQXPAMU-UHFFFAOYSA-N 448.976 2.364 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 516817761 KTRYGRMBAGBGES-HNNXBMFYSA-N 431.460 2.416 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)CC2)o1 526983691 SFRBHDZUEAKZER-IYBDPMFKSA-N 438.532 2.396 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 535629717 DADKCMNAUQDLAL-AWEZNQCLSA-N 449.479 2.325 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 555170210 RVQNCNASFPWQFD-CZUORRHYSA-N 432.492 2.485 30 10 IEEE CCc1oc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)cc1C(=O)OC 558681703 RQUJTSPCHBYELH-UHFFFAOYSA-N 442.537 2.380 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1C 564379927 VFIBDOROSGGAHJ-MOPGFXCFSA-N 431.562 2.447 30 10 IEEE N#CC1(CC(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 590308270 QVBQICMAHPXOBA-UHFFFAOYSA-N 432.365 2.427 30 10 IEEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccc(CC#N)c3)CC2)c(OC)c1 619477081 BNZOTJYFCGNHNU-UHFFFAOYSA-N 443.525 2.353 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)cc2c1OCCO2 661310678 UJYIVXVFSUJDKA-UHFFFAOYSA-N 440.521 2.143 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670229860 BIMWMYFTKJRIHJ-CQSZACIVSA-N 448.325 2.085 30 10 IEEE CN1CCN(S(=O)(=O)c2c(OC(C)(C)C)cccc2B2OC(C)(C)C(C)(C)O2)CC1 725427841 NHPLIGVDTVXLMG-UHFFFAOYSA-N 438.399 2.099 30 10 IEEE Cc1ccccc1-n1c(N2CCOCC2)nn(CN2CCN(C3CC3)[C@@H](C#N)C2)c1=S 732666091 HIKCYJOUCWEFSC-IBGZPJMESA-N 439.589 2.178 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2c(c1)OCCO2 733202683 VRMJPQWMMLKOKJ-QGZVFWFLSA-N 437.481 2.231 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1OC 733654380 QGJMETKCBXLGEN-OALUTQOASA-N 444.532 2.157 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 734291663 ZCDITUNJZAIAQB-UHFFFAOYSA-N 444.557 2.330 30 10 IEEE COc1cc(Cl)c(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1Cl 753958240 JCHPOLWWLHIQRV-CYBMUJFWSA-N 436.320 2.431 30 10 IEEE COc1cc(C#N)ccc1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 766881963 JCMKFZDDQLXGGO-MRXNPFEDSA-N 433.486 2.316 30 10 IEEE C#C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C1CC1 767523428 SWQWGCGYKMJRML-MRXNPFEDSA-N 428.304 2.039 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 780174825 FADREHQCPDEJGE-JOCHJYFZSA-N 433.480 2.279 30 10 IEEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(Cc4ccccc4)c3=O)n2)c1 781134827 HXFFOOLLHBOWQX-UHFFFAOYSA-N 438.516 2.182 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 783865208 BABPVGNDTYSVGY-OFLPRAFFSA-N 446.504 2.216 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 787067825 ZEOSZHLCDVOPRA-CJNGLKHVSA-N 442.378 2.251 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2c2nccs2)cc1Br 790837247 YLMUIDNQNIDVEM-ZDUSSCGKSA-N 441.332 2.251 30 10 IEEE COc1cc(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc(OC)c1OC 790870902 KAGDLSZVJDGHAP-UHFFFAOYSA-N 449.504 2.375 30 10 IEEE COC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1OC(C)C 799256078 OILHYGZPPLPAPA-UHFFFAOYSA-N 425.441 2.396 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 802409517 UIILDWOHBKCBRA-IBGZPJMESA-N 438.532 2.214 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(Cl)cc1 810209238 ACMMITKVPJLQIV-QGZVFWFLSA-N 434.905 2.252 30 10 IEEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 812470016 NOFBXRFKLFIPIY-SNAWJCMRSA-N 430.509 2.336 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCN(C(=O)C3CC3)CC2)C1=O 917701176 LADWMSYMVRFVMG-GOSISDBHSA-N 439.541 2.027 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)c1OC 1084237966 LSYJVOKCNBCUPE-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(Oc2ccc(F)cc2)n1 1130788604 YIVNSODEOHGGHZ-UHFFFAOYSA-N 440.456 2.368 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1134899310 LISPQWQKBGLDOT-HUUCEWRRSA-N 446.529 2.431 30 10 IEEE C#CCN(CC(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 1137052138 PIUVJVGOBCJGNY-LJQANCHMSA-N 427.423 2.392 30 10 IEEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1nc(Br)c(Br)n1 1139806040 WMHATBCYFRWRKN-NSHDSACASA-N 425.084 2.478 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1143458494 OZDVKJCPUIEIFX-CXVUKDAWSA-N 429.565 2.466 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 1148704922 APJOWAGNSWKOBV-UHFFFAOYSA-N 449.598 2.032 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)C1 1154958371 DVMGDPCWJAWTEF-QZTJIDSGSA-N 430.553 2.068 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Br)c4nccnc4c3)CC2)c1C#N 1269303451 QHIPRIBJKWGNFY-UHFFFAOYSA-N 440.305 2.268 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1286279318 UQTHSPCGUPVNAO-ZIAGYGMSSA-N 432.525 2.209 30 10 IEEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1286338915 HFVPBVMDVZKXHA-AWEZNQCLSA-N 447.312 2.474 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1286377300 VFHRAUAOUOQBPH-RBUKOAKNSA-N 446.596 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)oc2ccccc12 1286421416 YAKUSXHDXQIPPJ-MRXNPFEDSA-N 439.541 2.454 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1286450829 LIMMBHFMSMHLTN-LJQANCHMSA-N 445.589 2.357 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)C(C)C)CC1 1286472061 DIJQYIWNEGASDY-IBGZPJMESA-N 435.370 2.198 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCn2ccnc2C)CC1 1286483696 VAENRQYGDPSNDK-UHFFFAOYSA-N 433.560 2.032 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 1286484707 VLQLEXJJBQPXDB-WJOKGBTCSA-N 445.564 2.053 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCOC)CC1 1286491822 CVCADHANBQOXHU-UHFFFAOYSA-N 439.560 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1286521875 FDGTVRWXQXPDLC-PGRDOPGGSA-N 443.573 2.403 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1286648626 GLWKAOWUMOEELQ-UHFFFAOYSA-N 437.504 2.175 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1286749241 NXZZMYYYJNAGEG-IBGZPJMESA-N 444.605 2.200 30 10 IEEE O=C1CCCCN(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1289424441 KDXJJSUTSKWZKJ-RKDXNWHRSA-N 436.299 2.197 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1291828468 OZMJEXRUOBISMJ-FUHWJXTLSA-N 426.521 2.259 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1294648069 MGWUBOHCIUHXGN-LJQANCHMSA-N 444.605 2.420 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1297468281 USRRUYGDJQJBAC-QUCCMNQESA-N 438.532 2.260 30 10 IEEE C=CCn1cc(CNC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)nn1 1299675926 YBENCUNTEWVHBW-UHFFFAOYSA-N 437.456 2.369 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300498302 IVYBVFLCNWMKQZ-IAGOWNOFSA-N 434.537 2.464 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1300504704 QVSFYIJZFCWJHT-KRWDZBQOSA-N 444.488 2.264 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)coc2C)CC1 1300686300 ZXTYUFIDBRWHRX-HSZRJFAPSA-N 427.549 2.332 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301058600 CZYIDGRHSDBKAS-KNBMTAEXSA-N 436.944 2.240 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301061336 SLLRWGKISOYQDG-PWIZWCRZSA-N 426.945 2.455 30 10 IEEE COCC1(C)CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301100232 YGWSICHSCHBNOS-VXPUYCOJSA-N 428.537 2.010 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1302124857 WBYKFBMCUMYEAR-QGZVFWFLSA-N 428.537 2.457 30 10 IEEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1313313726 KKZMMYKRLPDEIF-HXFLIBJXSA-N 444.344 2.232 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1cccs1 1314873399 CGHFAKFULXXMPG-UHFFFAOYSA-N 430.559 2.106 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1316099567 GTIPMIYWSCCZIW-UHFFFAOYSA-N 446.939 2.247 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCCO2)C1 1321324556 JQSZNODFSNHENM-UXHICEINSA-N 439.564 2.412 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 1323975383 QXHICTNHJYVJHG-JKSUJKDBSA-N 431.566 2.067 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)c1 1350925073 YXLXSBNOYAIDBA-MBSDFSHPSA-N 429.517 2.479 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1CCOCC1 1357978328 JYNTWSIUNLTSJR-DLBZAZTESA-N 425.526 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1 1359020257 WVEMLSLAUXSEGA-IBGZPJMESA-N 425.533 2.298 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)N(C)C 1359027182 YRDFSXGGLGCKGS-UHFFFAOYSA-N 440.331 2.338 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359053913 DPNPOSIDNOTIND-QUCCMNQESA-N 426.590 2.254 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1359084401 GLJZHFMAMUOWQU-AWEZNQCLSA-N 445.383 2.096 30 10 IEEE C=C(Br)Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359084903 VTSDWMMVBCCFCZ-OAHLLOKOSA-N 439.402 2.318 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359215932 MHIHYQKOWYXCGM-INIZCTEOSA-N 439.582 2.204 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCN1CCN(C(C)=O)CC1 1359256383 DLSGBFILQDZIBK-UHFFFAOYSA-N 447.587 2.459 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359291266 KEEVIUZQFQKWCG-CYBMUJFWSA-N 430.475 2.277 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359293832 BDZURNBWERFHRT-JXFKEZNVSA-N 435.532 2.499 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1359303741 ZHXMLQOJNZRURM-UHFFFAOYSA-N 438.580 2.081 30 10 IEEE CC(C)COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1360065982 DMZCCRIEWVUYCX-VQIMIIECSA-N 426.587 2.081 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1 1360622116 FBSYDTALNXXYNC-CQSZACIVSA-N 446.558 2.103 30 10 IEEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)COCCO1 1360834818 KJVMCONKKPCIIY-HSZRJFAPSA-N 438.532 2.104 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C)CC3(Br)Br)CC2)c1C#N 1435910251 DCUIKWGZSBDERJ-CQSZACIVSA-N 445.159 2.145 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CN(Cc4ccccc4C)CCO3)CC2)o1 1438593169 IRTVERQLIXUYOI-OAQYLSRUSA-N 437.544 2.397 30 10 IEEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)c1nccs1 1457333554 HMDUATPJKHKALT-SFHVURJKSA-N 447.314 2.339 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)c(=O)nc1O 1468928784 FAEAATBKGDQFRU-FQEVSTJZSA-N 433.468 2.078 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCC3CCN(C4CCOCC4)CC3)CC2)c(F)c1 1470763622 AKZVTAJSTBUHSO-UHFFFAOYSA-N 429.540 2.420 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)c1 1472454186 XKPPVAMAKOXQEK-UHFFFAOYSA-N 449.573 2.460 30 10 IEEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1492905402 VLNMMHHQAGCUBY-FQEVSTJZSA-N 445.518 2.141 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCCOCC(F)F)cc1 1505317849 XDXISURALAXWJM-GOSISDBHSA-N 432.475 2.009 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1507718599 FJTLWLHOCYFOCG-ACRUOGEOSA-N 433.597 2.209 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)CCOC)CC1 1507720325 CJXIWCZJORAUQO-MBSDFSHPSA-N 445.539 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ccccc2)CC1 1507734054 QANGKSBUSHJVOE-GOSISDBHSA-N 436.560 2.186 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507781503 ARJGTTUEIXOMEG-CQSZACIVSA-N 433.372 2.094 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507910423 RKCWAMVBPXVZBG-INIZCTEOSA-N 429.525 2.386 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1 1508015151 LDFVASKKEHFJDL-SFHVURJKSA-N 445.589 2.248 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1508017052 HRSIQRVOQWEMDN-SFTDATJTSA-N 436.560 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508083036 ZNWLHXCLDURSKN-UHFFFAOYSA-N 443.527 2.017 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508093896 DQRANGAUHKHZKV-UHFFFAOYSA-N 432.569 2.370 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)N(C)C)C1 1508117177 QKTNVYYAOHATKT-QGZVFWFLSA-N 429.521 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508134973 BRLHQTQPMXWXFW-PMACEKPBSA-N 441.557 2.280 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1509945991 FHTPVZNEMDPUIX-QKKBWIMNSA-N 441.561 2.019 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1511384646 RDNNPPWKJVBSLZ-UHFFFAOYSA-N 427.530 2.462 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CC(=O)N1C 1512417853 BMLOTQNDKJSSKK-PXNSSMCTSA-N 438.532 2.069 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1513096443 QSSGZIHHWRWKCL-YNFBMLRVSA-N 443.573 2.085 30 10 IEEE CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1516083160 GBHODCRKELSDRW-HNNXBMFYSA-N 434.566 2.211 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1518744783 CXCUBZHSTNBBBH-FQEVSTJZSA-N 446.490 2.395 30 10 IEEE Cc1nsc(NC(=O)c2cc(I)ccc2-n2cnnn2)c1C#N 1518982705 SEVVQCXNMBXWKS-UHFFFAOYSA-N 437.226 2.156 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCS1(=O)=O 1538992259 NWRSXQLBAKAUJV-WBVHZDCISA-N 432.546 2.388 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1539210326 CUCJQMNOBOHUGZ-NRFANRHFSA-N 441.601 2.446 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539266107 MDQVIMQZCQZIBY-IPMKNSEASA-N 432.590 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[S@](=O)C(C)(C)C)CC1 1539469587 CSDZVQBILJDOIW-HKBQPEDESA-N 445.589 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1539548488 NWSOZUPCVXOQBG-OPAMFIHVSA-N 444.557 2.389 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)c2cc[nH]n2)CC1 1539877958 LZKTUEQFDAZFBX-UHFFFAOYSA-N 436.476 2.409 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1540074585 ZONPHURHPOOXLS-OAHLLOKOSA-N 431.628 2.155 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540859137 HYVYGXLJZVRSTN-UHFFFAOYSA-N 426.594 2.492 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1540874698 OPMXHKQZJIEXGI-QUCCMNQESA-N 436.516 2.036 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1540875497 NVFRTTGIINUMMQ-HNNXBMFYSA-N 443.401 2.066 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540908572 YTFGOANUPBKEKI-CQSZACIVSA-N 434.532 2.408 30 10 IEEE CC(C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1541364948 BWSRSWDFSWAPEZ-UHFFFAOYSA-N 439.564 2.485 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(C)(C)O)n1 1542628335 FBLQFPXVGZXDOI-UHFFFAOYSA-N 432.532 2.403 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1545760764 IESSMFRYXOMOKW-QZTJIDSGSA-N 429.546 2.126 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCC2(O)CCOCC2)C1 1555986223 GDCBHHVFCKBFSS-HXUWFJFHSA-N 433.459 2.370 30 10 IEEE C=CC1(CC(=O)NCc2cccc(S(=O)(=O)NCC)c2)CN(C(=O)OC(C)(C)C)C1 1556958002 YBLBPYHZUDWWFG-UHFFFAOYSA-N 437.562 2.414 30 10 IEEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CO)c1cccc(Cl)c1Cl 1557389507 FYHYDBULKIQHGV-INIZCTEOSA-N 442.324 2.335 30 10 IEEE C#CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCc2ccccc21 1559499095 IIYJASPSAUSHJL-QFIPXVFZSA-N 425.554 2.006 30 10 IEEE CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 1562249226 SDWLVEJWKDKXOZ-QIDKZVQTSA-N 435.550 2.022 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 1565167321 SYQGDHKCSKYFQA-UHFFFAOYSA-N 435.488 2.362 30 10 IEEE COC(=O)c1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc1 1567980495 XPWCGHCTEKYHPH-JXORXQGFSA-N 428.489 2.271 30 10 IEEE C[C@@H](CC(=O)NCCOc1ccc(Cl)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1569140299 PQTLDSHGURZTNE-LBPRGKRZSA-N 439.896 2.491 30 10 IEEE C[C@H](CC(=O)N1CCOC[C@@H]1c1cccc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1584634528 ZGSGPTKOWLMARV-RDTXWAMCSA-N 431.489 2.243 30 10 IEEE C#CCN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@H]1CCOc2ccc(Br)cc21 1586216422 GZXQICHVUAFTFF-GVDBMIGSSA-N 431.290 2.336 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC2(C1)OCCO2 1587580163 NFHBJSGXICEIDP-SJORKVTESA-N 444.557 2.350 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1587759136 PAJYFECECYPPQN-QGZVFWFLSA-N 427.940 2.408 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588012118 XFTOXBDHKBKWGV-IERDGZPVSA-N 429.546 2.067 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)CC1 1588753030 ZTZHMZWGVYRASC-GOSISDBHSA-N 442.539 2.227 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1589008000 RMWRKOIOPBPGKD-OAHLLOKOSA-N 428.518 2.277 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1589088718 GSHJOJDHQVIVIE-UHFFFAOYSA-N 433.603 2.034 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1593845332 NFTBEGZRLMOFPB-GOSISDBHSA-N 444.927 2.305 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)CC2)cn1 1594753744 CXHCUWXUMLSGNU-UHFFFAOYSA-N 426.480 2.492 30 10 IEEE C=CCN(c1nnc(-c2cccn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1595043680 ATUOVPPLFRXABA-FQEVSTJZSA-N 425.581 2.381 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)nn(C)c2CC)C1 1595664493 FPOPWBDUGPJEKG-KRWDZBQOSA-N 441.580 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@]2(C)C3)nnc1[C@@]1(OCC)CCOC1 1595831332 PEUOTXSWQVMNQT-JRGCBEDISA-N 438.594 2.300 30 10 IEEE CCc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1614034855 DRJWYUIWYPLCER-CCWVLBSLSA-N 449.559 2.078 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@H](CO)C(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2O 1614467823 DZPROHKVTKFBQP-INDSDCTBSA-N 448.560 2.244 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(C)s2)n1CCN/C(O)=C1\N=CC=CC1=O 1616683976 LXXYJGJBJNRIFS-VHEBQXMUSA-N 430.534 2.347 30 10 IEEE C=CC(C)(C)CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1618692559 JHXPWCVXIMGLRH-UHFFFAOYSA-N 425.526 2.011 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C#N)o1 1618756017 LUQBYPSOEWFWQF-UHFFFAOYSA-N 430.472 2.420 30 10 IEEE C=CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1626856948 RJJCHQZASJDORY-UHFFFAOYSA-N 427.457 2.485 30 10 IEEE COC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(OC)c1 1628735051 CWFILJLWCVGDEE-SFHVURJKSA-N 431.514 2.018 30 10 IEEE Cc1cc(NC(=O)CN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)no1 1629966237 MDHFVTBLLFGLFF-UHFFFAOYSA-N 432.278 2.151 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1630118747 IVDWJJPPBZQKAV-KDURUIRLSA-N 449.548 2.148 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1CCN(O)C1=O)c1ccccc1Br 1637465646 ZRRFJAPODZTUTB-QWHCGFSZSA-N 428.283 2.121 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1637518316 AXGKSXULMHJJOX-IAGOWNOFSA-N 441.594 2.244 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CC[C@@H](N(C)c3cccc(C#N)c3)C1)C2=O 1640218436 GCNULPJXPMIUQP-MBOZVWFJSA-N 437.544 2.342 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2COC[C@@H]2O)ccc1Cl 1642291309 RSKJTFUPLUPWIG-MSOLQXFVSA-N 436.917 2.211 30 10 IEEE COc1cc(C(=O)N2CCC[C@H](n3nncc3I)C2)ccc1C#N 1643458845 PCTWOIBRLJMHCL-ZDUSSCGKSA-N 437.241 2.240 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2CS(N)(=O)=O)n(-c2cccc(F)c2)c1C 1644166477 ACQOMFAPZLUMPA-GOSISDBHSA-N 447.536 2.186 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O 1652998226 MUAXYPVHXHROLR-UHFFFAOYSA-N 440.500 2.160 30 10 IEEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)C1=O 1654343642 ZWHZYJDOEILXHD-XMMPIXPASA-N 446.511 2.021 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)CC1 1659401020 LVJOGNJMUZONKX-SFHVURJKSA-N 437.466 2.195 30 10 IEEE COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC[C@H](O)CC1(C#N)CCOCC1 1660042449 MPPHBMBFVHFDOO-WBVHZDCISA-N 430.423 2.330 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OCC 1663905868 VVUJEIAQIVSJIS-CQSZACIVSA-N 432.926 2.227 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 1684470663 DAHYEXWIBHMDFT-QFIPXVFZSA-N 433.512 2.200 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)CC1 1689928434 OHSNSLKCPBTATH-IBGZPJMESA-N 444.580 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)N(C)C)cc1 1690043307 WSRSODLMHONSFF-UHFFFAOYSA-N 430.516 2.283 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1nccc(C(F)(F)F)n1 1690102327 IHWXTSKANCOGGR-OAHLLOKOSA-N 438.454 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1690139404 LBPGPVUAIFKOKX-DEOSSOPVSA-N 439.560 2.327 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)COCCO1 1690603551 DGPCPUFSXVAICC-QFIPXVFZSA-N 429.521 2.148 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1690659351 QDYLPJUDHMFTBD-QFBILLFUSA-N 440.548 2.311 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CN(C)C2=O)C1 1690687731 IGVITGOEUOKYBG-KUHUBIRLSA-N 449.353 2.295 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1692577055 AHBMLCDHAUOLBL-APWZRJJASA-N 425.480 2.483 30 10 IEEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)c1 1693300548 CQLVHXMTAMEYBP-UHFFFAOYSA-N 439.545 2.035 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1693728776 GIOWAUSLQBRBKY-JZRSTAGNSA-N 435.532 2.273 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1693954730 BAIFBZKRYGWAIQ-ZLGUVYLKSA-N 440.548 2.219 30 10 IEEE CC[C@H](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1693972638 VEJFUVLDVKTNDV-YSIASYRMSA-N 439.564 2.436 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1 1696663918 YTDDQLDESSKYIZ-UHFFFAOYSA-N 440.548 2.385 30 10 IEEE N#Cc1ccc(C[C@H]2CCCN(c3nnc(-c4cnccn4)n3CCOCCCO)C2)cc1 1698487893 DVBUPUSYKKVSCD-OAQYLSRUSA-N 447.543 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705483119 NXIXWLRYPPEHHI-GHTZIAJQSA-N 433.560 2.217 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cnnn1C 1705485643 MNIHCHAXNRNADY-LBPRGKRZSA-N 430.310 2.351 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](COCCOC)C1 1705531305 FKMJIVZEQAOFFK-QGZVFWFLSA-N 436.516 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(C(=O)OC)CC1 1705576061 DYNSAZYQTMOXEG-UHFFFAOYSA-N 436.472 2.405 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)on1 1705617461 VMWREEOFFLRECO-UHFFFAOYSA-N 433.560 2.447 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCN(C)C1 1705621427 COZNXLYJZHCILD-RDPSFJRHSA-N 441.576 2.188 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1705694215 PLCYNZORVMBGGQ-HOTGVXAUSA-N 444.502 2.082 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCNS(C)(=O)=O 1705862520 MZHAAXWPHKUSTE-UHFFFAOYSA-N 432.525 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C[C@@H]1CCCO1 1705899070 HMZCWEMMGPPUKB-KRWDZBQOSA-N 427.505 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CC2)C1 1705917659 XKWQUNRPSJHDAR-UGAZBFNKSA-N 438.594 2.011 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCO2)C1 1705919930 NAKZLRPFEQEIAY-OALUTQOASA-N 444.557 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1705933505 JJHOOTYNNZFVSK-CQSZACIVSA-N 439.900 2.067 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C(C)C)N1CCCC1 1708756761 HHHDTLDBHHUOKB-RBUKOAKNSA-N 431.585 2.046 30 10 IEEE CCN(CCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1710142143 CBHJMERDJMQCSD-FXAWDEMLSA-N 438.598 2.321 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)n1 1712343598 MGWLKRIYUPIJPV-MRXNPFEDSA-N 437.504 2.452 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1712794376 URRHFVOGOYQFCI-YOEHRIQHSA-N 441.561 2.383 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CC(=O)NCC(F)F)c1 1712877290 HHOIVPCZLAZQKT-GOSISDBHSA-N 444.486 2.451 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1722329949 MUVPKOFBORBNSS-IBGZPJMESA-N 447.543 2.364 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722363654 BCFMNZVKYLSHKY-PMACEKPBSA-N 425.558 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1CC 1722386951 COSKMRCTLDBYMC-UHFFFAOYSA-N 444.543 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1722445576 YZTYDNHPGZAQHE-RTBURBONSA-N 444.624 2.041 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722452733 KBPGJRJHPDQJDD-OAQYLSRUSA-N 431.537 2.020 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1722511866 OTJRSGMFFOEGQR-HNNXBMFYSA-N 426.477 2.064 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1722664534 BWQVOMHEHAKNCZ-ICSRJNTNSA-N 440.596 2.044 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722692264 YEMNKXLDCDNDPD-UHFFFAOYSA-N 431.585 2.304 30 10 IEEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1723630452 MOKIHJNSFRVCSH-OAQYLSRUSA-N 427.509 2.051 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)CC1 1728664841 MOIBFWJITYQWMZ-UHFFFAOYSA-N 449.584 2.379 30 10 IEEE Cn1ccc(Nc2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1729583335 LSIARSHSOFTJNT-FMQUCBEESA-N 436.451 2.012 30 10 IEEE CO[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1729905846 MIRNQNVUYSTPTG-VIZSFHNOSA-N 441.532 2.435 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)cc1 1730096215 KSDVZEROJXYOAB-PMACEKPBSA-N 427.505 2.268 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1730837664 LWJUCSZKNAFBAR-INIZCTEOSA-N 441.598 2.345 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN(CC)S(C)(=O)=O 1740552939 SJZAFEXGYIPEOM-OAHLLOKOSA-N 439.532 2.277 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740581537 ZVBRGMUIIOSFRE-UHFFFAOYSA-N 447.474 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC(C)CC1 1740639802 XRLKLOJGISBLNL-UHFFFAOYSA-N 446.603 2.257 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740724054 XEXGQTHNIWJIBN-QZTJIDSGSA-N 427.578 2.391 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1740871874 RBTJSMSYFUHXQA-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE Cc1noc(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1742882054 DTTUIRYJLYZAGS-CYBMUJFWSA-N 432.282 2.418 30 10 IEEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1747580159 FRWIQAIOUNMZPQ-SFHVURJKSA-N 433.516 2.463 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1748843293 AFKLOZCHDLKDTB-BBTUJRGHSA-N 436.585 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC=C)cc1 1748892606 SMBUAHYVSVKYHU-HXUWFJFHSA-N 438.553 2.256 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC2(O)CCCC2)n1 1748970861 VXOOKZHHJSVGNV-UHFFFAOYSA-N 449.559 2.436 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1748983468 PLYXOLLCYHXYRX-VFNWGFHPSA-N 433.915 2.033 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCOCc2ccccc2)CC1 1748987106 PTXLZEPTFGLILL-UHFFFAOYSA-N 431.544 2.487 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CSC 1749103548 BDXRBYGAMUPFEI-OLZOCXBDSA-N 435.413 2.421 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(S(=O)(=O)CC)CC1 1749139558 GSVWPMCDCCMOET-QFBILLFUSA-N 426.583 2.199 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749411663 CMEQKDULXNFJSG-KRWDZBQOSA-N 446.577 2.016 30 10 IEEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)C1 1749447345 CNZZEKWTHKRJIW-UHFFFAOYSA-N 438.301 2.376 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1749488923 PDVZCDSLQBPNNU-KRWDZBQOSA-N 447.586 2.496 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1749626005 ICOOOAZZKVLHIU-LJQANCHMSA-N 426.521 2.149 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1749756011 QBGJBIUVTVPIDK-INIZCTEOSA-N 434.587 2.368 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)[C@H](C)C1 1749877285 SCEJFFSFLRXEOJ-YLJYHZDGSA-N 438.532 2.212 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1751176366 YUHVMRPTFOTZHP-CJNGLKHVSA-N 439.488 2.110 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1760184339 VWHNUKXRKLQCSM-OAQYLSRUSA-N 446.536 2.195 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cncn2)CC1 1760256478 HGULHWLJNMQCFP-KRWDZBQOSA-N 440.939 2.118 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncc(CC)s2)CC1 1760257343 UNKDBEAYWIXCAK-QFIPXVFZSA-N 444.605 2.141 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[S@@](=O)CC)CC1 1760263821 PYMJMORQTYKWEQ-LJAQVGFWSA-N 431.631 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@](C)(O)C(C)C)CC1 1760268060 KUKWCBGKJMUIAQ-QHCPKHFHSA-N 427.524 2.457 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCN(C(C)C)CC1 1760287537 WLVXLXQZRBBJPU-HSZRJFAPSA-N 444.624 2.424 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1760483068 CDVARTSCXAELKC-UHFFFAOYSA-N 447.478 2.434 30 10 IEEE C=CCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513160 NCEYGDBKSGYVTM-HXUWFJFHSA-N 447.565 2.211 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760558802 AXFNWOWNNYMAQK-INIZCTEOSA-N 441.561 2.046 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1768140369 SUDWERCKNWBYRT-INIZCTEOSA-N 436.520 2.428 30 10 IEEE COc1cc2c(cc1Cn1c(CN3CCCC3=O)nnc1N(C)C[C@@H](C)C#N)O[C@H](C)C2 1768399756 CPTNQIJTDDETTO-JKSUJKDBSA-N 438.532 2.377 30 10 IEEE CN(Cc1cc(Cl)ccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768620678 FNXYZISRJUODQY-ZDUSSCGKSA-N 446.920 2.378 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)C1 1770105673 CCRHBIWYWXUVFF-NJDAHSKKSA-N 441.532 2.110 30 10 IEEE COCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771048569 ODNBNINCNUUJCZ-GOSISDBHSA-N 426.521 2.175 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1771138465 UWDFAZLEYMJAQC-SFHVURJKSA-N 432.475 2.009 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1772842440 GQGAIPQYHVUHRL-CZUORRHYSA-N 434.504 2.104 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3[nH]2)CC1=O 1852376089 ZJUQUISAFUCPCZ-MRXNPFEDSA-N 438.919 2.380 30 10 IEEE CS(=O)(=O)N1CCC[C@@H](C(=O)OC[C@H](C#N)Cc2ccc(Br)cc2)C1 1852972316 QPAOFRMTDMNYMA-LSDHHAIUSA-N 429.336 2.346 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CSc2ccc(OC)cc2)C1=O 1853790215 WLPFGHOWGIRSCG-MOPGFXCFSA-N 431.558 2.024 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1854766024 AAJLBANCPWOHQK-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE COc1ccc2c(c1)CC[C@@H](C(=O)O[C@H]1CON(S(=O)(=O)c3ccc(C#N)cc3)C1)C2 1855385211 OZRAXZIPNDFWBJ-UYAOXDASSA-N 442.493 2.220 30 10 IEEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)Cn3nc(-c4cccs4)ccc3=O)C2)CC1 1855613688 TZEBHEHPRWYGGF-QGZVFWFLSA-N 426.542 2.389 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3cc(F)cc(Cl)c3)C(=O)O2)CC1 1856885056 DQSUCKYXRGQTHR-OAHLLOKOSA-N 429.857 2.005 30 10 IEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861504105 HCKGOSIABMNOTP-NRFANRHFSA-N 431.492 2.432 30 10 IEEE CN(C)C1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868774244 BVFNMTQAJFRDJW-IBGZPJMESA-N 445.633 2.472 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCC(CO)CC1 1870651563 FFIFNUGURCWTNT-UHFFFAOYSA-N 441.528 2.265 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc2c(N(C)CCO)ncnc21 1873663806 NMYBRQDGWKYGLH-UHFFFAOYSA-N 426.433 2.215 30 10 IEEE Cc1cccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)c1C 1874323656 AXLXQYIHTAWGEB-LSFURLLWSA-N 427.486 2.345 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CC1 1891418205 HBHYRUUOWLZHMZ-MRXNPFEDSA-N 443.891 2.496 30 10 IEEE CCn1cc(C(=O)N2CC(COc3cccnc3C#N)C2)c(=O)c2cc3c(cc21)OCO3 1891947831 YWICGSXWYDJZTA-UHFFFAOYSA-N 432.436 2.168 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 1992856836 YFDPKWMRKATIJN-XHSDSOJGSA-N 427.542 2.190 30 10 IEEE C#CCCN1CC[C@H](NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 2024556014 CQPTYYBXXBZGPM-SFTDATJTSA-N 428.577 2.226 30 10 IEEE C=CC(C)(C)[C@]12C=C(OC)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@@]31N(OC)c1ccccc12 2053487728 SOHAVULMGIITDH-DNQXCXABSA-N 447.495 2.438 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2141249101 UZYDQCNRJJVEFH-MRXNPFEDSA-N 447.341 2.083 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141674831 OHPPTBGQTSSLOG-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE C#CCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O 2159133320 AQFMFXRVWXPESX-SNVBAGLBSA-N 425.098 2.357 30 10 IEEE C=C[C@]1(CO)COCCN1S(=O)(=O)c1cc(Br)sc1Br 2199875986 CPHFZCMOFAFUBM-NSHDSACASA-N 447.170 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247835699 PAAFRNRWFIRTKO-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247903144 FELIGLHSBZGXCN-ARFHVFGLSA-N 442.387 2.349 30 10 IEEE CC(C)N(CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248405461 RBTUIGTWUZUUCR-UHFFFAOYSA-N 440.375 2.233 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632672 PRIHEBHTYMYMQT-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)s2)OC1(C)C 2255878807 FRXUEJIFFIHFLQ-SFHVURJKSA-N 441.406 2.251 30 10 IEEE CN(CC(F)(F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2263499037 XSQRFCKWIVRENE-UHFFFAOYSA-N 442.272 2.217 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267011420 FKFANMXCAUMAGJ-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267141876 MXUOSJQRJNRKFT-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267176079 VCQXOJKQGXAVBA-GASCZTMLSA-N 446.357 2.246 30 10 IEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267503795 JJMBOXCADXEOQN-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267527376 GPPJVOXMKWEZDZ-DSJMHWKBSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267586046 DZNLVQIMUYDCLH-HSZRJFAPSA-N 446.353 2.088 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267878807 BNEAWYLNXVKNKG-UHFFFAOYSA-N 433.321 2.293 30 10 IEEE Cc1cc(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273764887 ATZDKFBEQRJMEI-GOSISDBHSA-N 448.369 2.186 30 10 IEEE CCOc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 2329056404 WDEJZSADCPAULL-MRXNPFEDSA-N 447.561 2.376 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)[nH]1 2337027344 DJWZVSQBOVJRSL-KBAYOESNSA-N 447.385 2.187 30 10 IEEE CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@@H](C#N)C(=O)N3)CC1 72461131 PBZWAVFDQAVOCS-QAPCUYQASA-N 435.484 2.391 30 10 IEEE COc1ccccc1[C@@H]1/C(=C(/O)c2cccc([N+](=O)[O-])c2)C(=O)C(=O)N1CCOCCO 103099740 YPPGTQWTRICSDP-LAFOYAEKSA-N 442.424 2.034 30 10 IEEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2cccnc2)c(=O)n1-c1ccccc1 254762171 ANMFHLGPDKQKOH-UHFFFAOYSA-N 440.532 2.163 30 10 IEEE COc1ccc([C@H](NC(=O)[C@H](C)n2cnc(C#N)n2)c2cccc(S(C)(=O)=O)c2)cc1 409744290 JIEKYMALSHQFJE-XOBRGWDASA-N 439.497 2.029 30 10 IEEE COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 427201553 AYYIVMONGRUKDB-IBGZPJMESA-N 442.497 2.230 30 10 IEEE CCOC(=O)c1c(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(C#N)cn1CCOC 432421770 QQQQEGWICJREHI-WCJKSRRJSA-N 448.520 2.373 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 444221333 JLBRSRKBKHUPIJ-FQEVSTJZSA-N 447.557 2.078 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccccc1C(=O)c1ccccc1 476411545 YRDLXFFAGBNBLM-KRWDZBQOSA-N 447.520 2.479 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 479213243 IOZIFHWVUMCJHD-UHFFFAOYSA-N 426.542 2.225 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 485607419 DZRBGTOHKYASSL-INIZCTEOSA-N 433.456 2.467 30 10 IEEE CCOC(=O)COc1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486160114 BNIQLOWIMGXCDQ-FQEVSTJZSA-N 436.468 2.423 30 10 IEEE COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s[nH]2)c1 487199419 OFOIURPUZYBPGR-GOSISDBHSA-N 448.508 2.430 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 504193088 DOVPUGIUMBKFEX-FQEVSTJZSA-N 425.510 2.206 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508738895 HNCZLUMYFMWBPR-LJQANCHMSA-N 425.533 2.427 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOCC)[C@H](CC)C1 508924287 XQAJURNTLKPISR-LJQANCHMSA-N 447.605 2.472 30 10 IEEE COc1cc(CN(C)C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc(OC)c1 514100312 RBGCTAYQLVBBQR-UHFFFAOYSA-N 437.431 2.497 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1-c1ccc(F)cc1 520869547 JEFXEHKXOZYHLM-UHFFFAOYSA-N 437.496 2.074 30 10 IEEE N#Cc1c(CCCNC(=O)C(=O)Nc2ccc3c(c2)CCCO3)nn(-c2ccccc2)c1N 523210385 XOLPEJFJPAXMSN-UHFFFAOYSA-N 444.495 2.339 30 10 IEEE CCOC(=O)[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1c(C)nn(-c2ccc(F)cc2)c1C 537310071 CQSWRUBCPABPEG-KUHUBIRLSA-N 439.451 2.073 30 10 IEEE C=CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 541791638 KWMLBAGSIOMHBA-DLBZAZTESA-N 443.329 2.492 30 10 IEEE COc1cc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])ccc1C#N 565454863 MASYXFIQFKFHQY-UHFFFAOYSA-N 445.501 2.023 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 575106184 FBMJUKLEQRKIHD-UHFFFAOYSA-N 438.576 2.220 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 582576495 QCRWPWFTPNHIDQ-UHFFFAOYSA-N 444.517 2.092 30 10 IEEE CSCC[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1nnc2ccccn12 603802658 QWOMRLXCAGTFLR-QGZVFWFLSA-N 436.545 2.322 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(NC(=O)c2ccoc2C)CC1 608948929 CCHGFTFBHODVIW-UHFFFAOYSA-N 434.500 2.473 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)N[C@H](C)c4cccc(C#N)c4)CC3)C2=O)n(C)n1 611562843 QMZJBOQCGRFKSB-WIYYLYMNSA-N 449.559 2.184 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)NC[C@@H](CO)Cc3ccc(F)c(F)c3)CC2)nc1 616224414 HURKEMVIBITRSG-KRWDZBQOSA-N 429.471 2.351 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(C[C@H]3CCCO3)c2=O)cn1 735069641 YPQMZHOFQRHCCP-GOSISDBHSA-N 442.585 2.204 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CCCCC2 743908810 IFEVZGMKAHLTTL-OAHLLOKOSA-N 444.557 2.331 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 754378259 DLVSUBAVEBNILM-GOSISDBHSA-N 429.477 2.188 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@H]1C(=O)O 757273918 FTSAJNXBPCOTFI-VXKWHMMOSA-N 448.475 2.229 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O)c1ccc(C#N)cc1 757836683 USBLTUYZTNTFIR-BTNSONSNSA-N 427.457 2.062 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 758700971 CWMXIOKMKQLNGA-UPTRSRDDSA-N 427.288 2.243 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)nc1 769012895 PXYFZKBBPNCVGT-UHFFFAOYSA-N 449.511 2.235 30 10 IEEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782886837 ZWSAOPDSCFLRIY-CQSZACIVSA-N 448.442 2.352 30 10 IEEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786682845 KHNVLXYNZAKMMN-GOSISDBHSA-N 449.598 2.338 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnc(OCC3CC3)cn2)cc1 790276765 UNYNGSQPDIGREC-HKOYGPOVSA-N 429.502 2.331 30 10 IEEE C[C@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 790689601 ZOBXYLFPQVNJKF-FPTDNZKUSA-N 443.525 2.372 30 10 IEEE COc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c(C)c1OC 794394950 WDVKZSHPOUPINX-UHFFFAOYSA-N 433.486 2.088 30 10 IEEE CS(=O)(=O)c1cccnc1C(=O)Oc1ccc(C#N)cc1I 1128557182 FIQUTRJHKFQOOH-UHFFFAOYSA-N 428.207 2.181 30 10 IEEE Cc1ccc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1S(=O)(=O)NCC#N 1161635018 RPZSZAAPPCBQEI-UHFFFAOYSA-N 446.495 2.286 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 1181061954 DUNSTWZAESCLOQ-QGZVFWFLSA-N 449.573 2.365 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C 1194801339 AYNDCJNPGBUYJD-UHFFFAOYSA-N 447.557 2.229 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)cc1 1198251936 RPGQLQYBZIEDKO-QGZVFWFLSA-N 435.550 2.108 30 10 IEEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[C@@H]1CCCOC1 1255499143 RNTPGBYTIMNXCF-DYESRHJHSA-N 440.548 2.308 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1286286977 CJIRRQOFRMZUNT-CQSZACIVSA-N 432.322 2.024 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286395732 UIJZLOPWGGJXTK-LJQANCHMSA-N 448.564 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286439936 XVVLFBWEPQNXFP-QFIPXVFZSA-N 441.539 2.099 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)COC)CC1 1286472992 GKAYQOMRGJZVOC-KRWDZBQOSA-N 443.548 2.009 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(OC)c2)CC1 1286473321 QGNVTIVMCVUIDA-XMMPIXPASA-N 439.560 2.131 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286504783 UELCYADEESVAKN-UHFFFAOYSA-N 441.605 2.376 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)CC1 1286711485 ORVKPGICIIKXBK-UHFFFAOYSA-N 435.532 2.392 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1286726884 JYJCXRPQHAAJCF-CYBMUJFWSA-N 442.488 2.461 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSCC1 1286815319 RNEPRRXYMPUZBX-UHFFFAOYSA-N 446.396 2.190 30 10 IEEE CC(C)(C)NC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287045710 FYNIOUMZYLTMLG-UHFFFAOYSA-N 436.564 2.444 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1287129388 PJOZNBDYZQYTLC-UHFFFAOYSA-N 439.564 2.330 30 10 IEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1288408534 DKMNVYKAIBFLEU-UHFFFAOYSA-N 449.563 2.046 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1296969301 DTHZIGFTRXMSAO-IEBWSBKVSA-N 429.517 2.089 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1299161825 AORQODQSTLRWHX-UHFFFAOYSA-N 432.475 2.451 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1300270820 FMDCCNYEUFOXDC-HZPDHXFCSA-N 446.577 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1nc(C)no1 1300308444 OXJLYSCERPHFTL-MRXNPFEDSA-N 435.536 2.234 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2nccnc2C)c1 1300334773 SUCFHCUIFRYEKU-LJQANCHMSA-N 445.527 2.179 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1300630788 GAOGKUBMBBSEDG-GOSISDBHSA-N 438.557 2.089 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1300630789 GAOGKUBMBBSEDG-SFHVURJKSA-N 438.557 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCCC2)CC1 1300711252 UVUWOWHTXWAFJQ-UHFFFAOYSA-N 428.581 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCC)CC1 1300715863 GQLHZLSOMSCFDK-HSZRJFAPSA-N 431.581 2.475 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1301508924 WYSAKZSGGOISCE-UHFFFAOYSA-N 427.534 2.270 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301560972 XTJUMAYQHROIBE-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccccc1F 1301566948 DDFKFPWYVXMOJD-UHFFFAOYSA-N 449.552 2.281 30 10 IEEE COC(=O)[C@H](Cc1cncs1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1303321658 OONRWMFUXCXSBA-HNNXBMFYSA-N 449.330 2.114 30 10 IEEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)n1 1304895040 XKBURUCKWHYZLY-UHFFFAOYSA-N 443.533 2.012 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C[C@@H](C)O1 1306403143 DFYKMMMFCFFENI-VQIMIIECSA-N 446.577 2.148 30 10 IEEE CC1(C)Oc2ccsc2[C@H](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1O 1307790145 BXWBIYZWGKBEGF-HEFCMCLBSA-N 446.598 2.381 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 1309371549 ICBPDUFHLNKHAI-JKSUJKDBSA-N 425.304 2.084 30 10 IEEE CSc1ccc(CNC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1C#N 1313289071 OYQJVVHVPMKRQR-UHFFFAOYSA-N 427.408 2.104 30 10 IEEE CSc1cc(C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1316413412 AIKQFNRNSONBJV-QGZVFWFLSA-N 426.546 2.208 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3cccc(OC)c3)CC2)n1 1324876898 KCHVIVDIEFCYKD-UHFFFAOYSA-N 425.533 2.352 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1353577495 OZCBFHTXLJFNPE-UHFFFAOYSA-N 441.509 2.093 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1358871566 HGAYMFIYDBQQBL-BJLQDIEVSA-N 444.605 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1358879087 KMIPJGVGWFMAJJ-KSFYIVLOSA-N 430.574 2.250 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1358885667 OEFAVMCTDVASMW-KDARRYODSA-N 438.576 2.376 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCN2CCOCC2)c1 1358902655 VSHAIVDWHCUHDD-UHFFFAOYSA-N 436.560 2.324 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358941755 WPDCFFUALOBZTI-UHFFFAOYSA-N 436.516 2.278 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1358962097 KIPSCGOJTKSKRN-SFHVURJKSA-N 429.546 2.013 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(C(N)=O)nc1 1358971724 HDQHHIGIILPSSN-UHFFFAOYSA-N 436.422 2.162 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1358973748 DSLMTVYQVOUWDT-UXHICEINSA-N 443.559 2.114 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1Cc2ccccc2O1 1359019022 IPCUANDYTMRVEW-AUSIDOKSSA-N 426.517 2.020 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 1359031573 HMRWLOJZCDSFND-VQTJNVASSA-N 427.574 2.321 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCc2ccn(C)n2)CC1 1359043440 UIAFJYLSORWCRA-UHFFFAOYSA-N 435.507 2.026 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1359083050 AVEZVHAAHGRBPI-CQSZACIVSA-N 433.372 2.442 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)CC1 1359175717 WWSZEURPCSRVGE-GOSISDBHSA-N 432.546 2.166 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)NC)CC1 1359176841 PRSHCVDNOKQVSH-UHFFFAOYSA-N 426.546 2.445 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1359191290 UKVDUHPARKOHBU-UHFFFAOYSA-N 449.625 2.260 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359242090 PGDSIBYRQRIVFI-HKUYNNGSSA-N 430.578 2.090 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O)C1CC1 1359247560 GZXFGSAFBFBFFB-UHFFFAOYSA-N 443.371 2.130 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1359277506 NUNLSVAKGIDIES-NRFANRHFSA-N 436.578 2.244 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)C1 1360783637 OIYPCGVLWUEPAK-OAQYLSRUSA-N 441.561 2.496 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(S(=O)(=O)N(C)C)CC2)cc1C 1439289331 DIUOZFDQYOWWLO-UHFFFAOYSA-N 429.546 2.234 30 10 IEEE CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1449122719 QQSKGCMESSUFMC-MRXNPFEDSA-N 427.457 2.271 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ncc(Br)s3)C2=O)cc1 1455067395 PEKWADYLZAEIQD-GFCCVEGCSA-N 448.302 2.299 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)OC)c1 1455603043 GBYSYDWOYBNBMW-IBGZPJMESA-N 442.493 2.411 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3OC)n[nH]2)c1C 1456465986 XRJLLLUIOLZJDE-QZTJIDSGSA-N 444.536 2.440 30 10 IEEE CS(=O)(=O)c1ccc(-n2nnnc2CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1460679241 TWMTUCHYRRHZDB-KRWDZBQOSA-N 436.419 2.331 30 10 IEEE C#CCN(CC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)C(=O)OC(C)(C)C 1464250898 RHTFHDKGWBNGKL-KRWDZBQOSA-N 446.523 2.167 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 1465138160 ZGRCSPHHJYZHHH-UHFFFAOYSA-N 446.573 2.245 30 10 IEEE C=CC1(CC(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)CN(C(=O)OC(C)(C)C)C1 1465546975 JHOUSXSHJWRQKI-UHFFFAOYSA-N 435.546 2.297 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2ccccc2CS(C)(=O)=O)c(C#N)cn1CC 1466880367 BYJCXOBQNISJPP-UHFFFAOYSA-N 432.502 2.423 30 10 IEEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1472254868 ADWGXDNMQURLJZ-ICSRJNTNSA-N 448.479 2.054 30 10 IEEE C#CCOCCN(C)C(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1472438627 WCFXUSHXWMQPGN-CYBMUJFWSA-N 427.452 2.119 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N(c1ccc(C)c(C)c1)[C@@H]1C=CS(=O)(=O)C1 1473620166 AHTYQKOUWVYRMK-HXUWFJFHSA-N 446.569 2.224 30 10 IEEE C=CCC1(NS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CCOCC1 1475473891 KCORJLOGCPAIGO-LJQANCHMSA-N 438.546 2.069 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1 1478685416 DVVWMHZNPXDIMP-UHFFFAOYSA-N 447.479 2.197 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1504283523 ZUOWEJNSUKNVDA-UGKGYDQZSA-N 427.505 2.104 30 10 IEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCC2)CC1 1504537295 SNYCUEHVGNDTIT-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C[C@H](C)O1 1504720408 FXHNCFLEVDSZOJ-OXJNMPFZSA-N 433.516 2.398 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC(F)(F)C(F)F 1507606767 WSSQEJGDQQRYRO-UHFFFAOYSA-N 448.442 2.335 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507626423 NXLYYWPYVPEOQL-AZUAARDMSA-N 442.585 2.410 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507628870 ISCTTYTZXPVDEB-DLBZAZTESA-N 433.603 2.196 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1507659405 USJVUCGLNKJGDR-YPAWHYETSA-N 440.636 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCN(C)C2)CC1 1507720025 DJBIOLDUUQPVPK-NRFANRHFSA-N 449.386 2.074 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)c2ccccc2)CC1 1507737818 GBFGEQMYRVQZSR-RXVVDRJESA-N 448.571 2.389 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C)CC1 1507754891 PUAFALDTBCUCJF-SFHVURJKSA-N 427.578 2.311 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1507814302 AWRPTIVQVCEMKI-UHFFFAOYSA-N 447.547 2.356 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1513759701 DPIRAWYLPOOAOL-INIZCTEOSA-N 448.579 2.124 30 10 IEEE COc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)N(C)C)c1 1518380297 DMHBHOZOSSFATF-SFHVURJKSA-N 446.559 2.497 30 10 IEEE CN(c1cccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1)S(C)(=O)=O 1537555888 DXCQQUGKZVOHHN-QGZVFWFLSA-N 430.505 2.236 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539212466 PALSMRRXHRDDMA-XLIONFOSSA-N 430.574 2.417 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCSC)CC1 1539445919 KKWKMBUEIBHUGK-UHFFFAOYSA-N 437.573 2.492 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539752721 XFRFQHRJJVRMSD-JOCHJYFZSA-N 439.608 2.073 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 1540122365 USWDHQZRIFOXGA-LJQANCHMSA-N 446.559 2.464 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1540869908 AGWDBNYBQAGYMC-SFHVURJKSA-N 428.493 2.409 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1541117353 DSMFENFQSQPZRZ-NVXWUHKLSA-N 437.470 2.123 30 10 IEEE C#CCN(C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1542211173 NKXYPGHHYGVFKA-LJQANCHMSA-N 446.569 2.171 30 10 IEEE Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978028 FLDQJGSBDZBLLH-KDDVOAFDSA-N 428.489 2.203 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)cc1 1555802085 XNSCPAOIQNXHBC-LJQANCHMSA-N 429.546 2.462 30 10 IEEE COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1559932454 HXVHOIGNYCSUMD-ZCNNSNEGSA-N 439.516 2.499 30 10 IEEE COC[C@@]1(C(=O)OC)CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1559996986 KNIXHSZAPYSECL-JOCHJYFZSA-N 428.489 2.210 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 1561338518 BPLCFAOWFSTIFY-AWEZNQCLSA-N 438.506 2.307 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1587561786 IOSVSMDGPRCBED-CABCVRRESA-N 425.468 2.226 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1587701382 AKVNTCZGTBQVHH-MRXNPFEDSA-N 442.951 2.332 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1587842952 XLAMVAQEAIGFMM-NRFANRHFSA-N 429.528 2.102 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H]1C 1587990260 UTCIHWWCZAJJDJ-MSOLQXFVSA-N 432.569 2.140 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cnn(-c2ccccc2)c1 1588089352 JJIINLDUZUZARF-VWLOTQADSA-N 444.539 2.431 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N(C)C)CCOCC1 1588171318 ZFDATTFUOITIEN-WOJBJXKFSA-N 427.593 2.380 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(OC)C1 1589567875 GMURGQFOSNBIEN-MAUKXSAKSA-N 431.562 2.476 30 10 IEEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1593864257 VWYZUOVJOJYKCQ-UHFFFAOYSA-N 434.543 2.003 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595556686 YYXGQJGXTDSFBH-UHFFFAOYSA-N 442.539 2.005 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)S[C@H](C)C1 1595561813 COTVLGSVBDQRQR-HZPDHXFCSA-N 425.562 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC)[C@H](C)C1 1595812387 RNKOTOBRKMDLSE-GOSISDBHSA-N 447.605 2.009 30 10 IEEE N#CC1(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CCSCC1 1596303341 LMLGDQQVHQITCB-UHFFFAOYSA-N 431.539 2.390 30 10 IEEE C#CCN(CC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)C(=O)OC(C)(C)C 1597756556 IEURPVCRTSXQHA-LJQANCHMSA-N 429.517 2.082 30 10 IEEE CC(C)CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1606937397 VQOPABWRDOMCPJ-XUTLUUPISA-N 436.520 2.276 30 10 IEEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c(C)c1 1615577600 JBPIQDRYROXVET-SFTDATJTSA-N 429.561 2.286 30 10 IEEE CC(C)(C)OC(=O)[C@]1(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1 1619922650 IYUBSSIPCHAGNG-FQEVSTJZSA-N 426.435 2.264 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1624729720 ZXHHKNSWITVTIE-VGSWGCGISA-N 429.521 2.016 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CCC2)C1 1624770701 FJFONAPHVMIFDW-UHFFFAOYSA-N 438.488 2.230 30 10 IEEE CN(CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1ccc(Br)cc1 1624816985 MSPUDANGJISNKU-KRWDZBQOSA-N 448.342 2.225 30 10 IEEE COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)CO 1627548515 LBRBEPXGEHTFBI-FZMZJTMJSA-N 428.283 2.024 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1629547245 HHHJIHWDQJMZNR-YOPALGQTSA-N 449.548 2.342 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCC[C@@H](C)C1)c1cc[nH]n1 1629974142 OWSHRNPFPXOZJJ-QGZVFWFLSA-N 441.532 2.242 30 10 IEEE C#CCSCC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1633545942 OFIMJOTXJLSOPL-UHFFFAOYSA-N 427.530 2.304 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CSCc1ccc(C#N)cc1 1638249927 VHXOUXPEJOTZJS-UHFFFAOYSA-N 448.526 2.137 30 10 IEEE COC1(OC)CCOC[C@@H]1NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1640954592 SDMMMWWLBVEVPH-OALUTQOASA-N 445.516 2.287 30 10 IEEE Cn1cc(I)c(=O)n(CC#Cc2ccc(C(F)(F)F)cc2)c1=O 1641039739 ABRRXKKZTCTJMV-UHFFFAOYSA-N 434.155 2.222 30 10 IEEE N#CC[C@H](C(=O)N1CCN(c2ncc(I)cn2)CC1)c1ccccc1 1643192336 CDOSVOUWFKNKFE-INIZCTEOSA-N 447.280 2.427 30 10 IEEE CC(C)OC(=O)CNC(=O)[C@@H](C)SCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1644002166 RPFFSUSUMFXEKO-CQSZACIVSA-N 444.475 2.363 30 10 IEEE C#CC1(O)CN(C(=O)CCN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c(C)c2)C1 1646381795 GDWRZENQWUNQHL-UHFFFAOYSA-N 442.537 2.104 30 10 IEEE COc1cnc(C(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc1O 1652476201 AJBFUGDQDSQMAX-BJCXIENYSA-N 445.520 2.329 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccc4ccc(Br)cc4c3)C2)c(=O)nc1O 1653762871 GQJXRHVDYOYPQA-UHFFFAOYSA-N 425.242 2.433 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](c4cc(C(C)C)[nH]n4)C3)CC2)o1 1654712281 XUODXCTWFRCENL-QGZVFWFLSA-N 425.537 2.229 30 10 IEEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C2 1682170327 LWHAIOMXZNRBJX-HBMCJLEFSA-N 427.549 2.498 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)C1CCN(C)CC1 1684818285 KUUBKNQYQCQRDS-GOSISDBHSA-N 433.350 2.441 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1689910772 PWVHTKBIOLRVQU-LJQANCHMSA-N 430.597 2.159 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F 1690047551 UAQGGMUNKQHTCY-INIZCTEOSA-N 432.496 2.164 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1690059793 XXFYPDFMBXGWFY-MRXNPFEDSA-N 431.562 2.088 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN(C)CCOC)CC1 1690117829 XFDPATRDHLLNAM-UHFFFAOYSA-N 448.974 2.461 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)CC1 1690411091 DZJCKRXGEWQCPE-IBGZPJMESA-N 449.552 2.201 30 10 IEEE C=CCCCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1690496211 MKJPWKWXDKVYQH-JOCHJYFZSA-N 445.568 2.300 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc([C@H](C)OC)n2)C1 1690685047 USMXMQPBVPLZMR-GOEBONIOSA-N 434.566 2.410 30 10 IEEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1692610533 AGAIGDGISPGCPY-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCOCC1CC1 1693749262 RUOYQGSNVYEHNG-QGZVFWFLSA-N 438.532 2.212 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1697487512 WVAKVAPYCMHSQT-OAHLLOKOSA-N 436.472 2.080 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)COCCO1 1697611722 DVSVTAIIIFWNEM-LEWJYISDSA-N 431.468 2.113 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OC 1698058437 HKXPZQYKJVXWND-UHFFFAOYSA-N 426.521 2.246 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705571631 DNVACKCKSFAPSV-KDURUIRLSA-N 442.608 2.157 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705703070 LBOYSMWUTDFOED-GGPKGHCWSA-N 427.553 2.012 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)CN2CCOCC2)C1 1705926307 BDQMYBCPXACVLE-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1C 1707514005 FDUMZPVRDMINCY-XUTLUUPISA-N 449.515 2.272 30 10 IEEE Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)s1 1707709579 APAFRCMXPFIOSE-HIFRSBDPSA-N 438.517 2.223 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2c2cnn(C)c2)CCOC1 1710418498 XZGFZSFSGOKCJC-NJNPRVFISA-N 442.568 2.071 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1710980946 XFXWQZSUEMUABA-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(C)(C)O 1712649681 NTYSVRAXLQEBRB-UFYCRDLUSA-N 441.532 2.223 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2cc(C(F)(F)F)ccn2)CCO1 1712884180 HZIOIYHBWMXAGK-OAHLLOKOSA-N 430.394 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCCn1cc(Br)cn1 1722285549 XQSHURLJVHVILW-AWEZNQCLSA-N 436.358 2.314 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1722368118 ZEMWVXISMDHYMG-LJQANCHMSA-N 427.574 2.327 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1722372555 ZAWCVZQHVIDAJC-QGZVFWFLSA-N 432.521 2.053 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CC[C@H](F)C2)n1 1722428501 WWRFIUOEXPXECK-ROUUACIJSA-N 438.511 2.356 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C)C1 1722622283 LEWIXYMIHYLAOQ-MRXNPFEDSA-N 448.593 2.364 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722685531 AFASIFGXSXFQPK-UHFFFAOYSA-N 425.505 2.193 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1722700444 JSAATRPZTGUQDI-FQEVSTJZSA-N 445.571 2.277 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1723185892 CLJLRYKSWIYJIA-UHFFFAOYSA-N 430.516 2.142 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)C1 1724021146 UZPCFMGSSTWPAG-XXBNENTESA-N 438.532 2.104 30 10 IEEE Cc1nc(CCn2c(N3CCC(C)(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1725504485 XWOFLZASFSLTRR-OAQYLSRUSA-N 428.541 2.118 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1728369970 BKFOOHKAJDLVDW-KRWDZBQOSA-N 430.578 2.028 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C[C@@H](C)O1 1730607985 BOGRJKSLFPFZOC-OXQOHEQNSA-N 438.488 2.314 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740695932 HQNBHPZRRPSJDB-RBUKOAKNSA-N 446.596 2.040 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1740731081 OSRXSDNPHUMZSF-PGRDOPGGSA-N 428.558 2.424 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)C1 1740767239 NJAUKQNXHQTRLJ-VGSWGCGISA-N 441.532 2.173 30 10 IEEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1740895779 UHGQZMKEOJKYSV-UHFFFAOYSA-N 427.530 2.055 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1)C1CC1 1740911490 BHDNLGFSJKMJTL-UHFFFAOYSA-N 438.576 2.196 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2OC)CC1 1740958481 QFSALYIKDAXXGA-FQEVSTJZSA-N 440.548 2.157 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(C(N)=O)c1 1741172245 HYCFDXDMWNAKAZ-UHFFFAOYSA-N 445.527 2.452 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1742298377 BYMDLEOOBYLKQB-UTKZUKDTSA-N 429.546 2.413 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747868894 BYFWUDNNCVOYMR-UAFUQJIBSA-N 428.537 2.010 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1748734499 FHQREXLKPIEOJG-UHFFFAOYSA-N 426.546 2.349 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCOC)CC1 1748983388 OXMSRVUGLZHLTC-UHFFFAOYSA-N 433.940 2.025 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCSC2)CC1 1748994968 UXRJJOWWBCJYHF-KRWDZBQOSA-N 444.630 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCSC(F)(F)F)CC1 1749010730 WDKPDDHFIDPVMN-HNNXBMFYSA-N 445.511 2.391 30 10 IEEE C=C(C)Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1749207221 FZJARALBKDNRTQ-LJQANCHMSA-N 445.486 2.401 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1749235405 QKSMOJKVMFUIPX-NRFANRHFSA-N 441.576 2.185 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749284326 VDSAUQSPCHCESJ-IBGZPJMESA-N 439.564 2.438 30 10 IEEE COCCCN(C)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1749701141 OYBFSXDUEUWKAZ-UHFFFAOYSA-N 440.596 2.137 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)C2CC2)C1 1749714861 OEEZYOVZDPBSSQ-MRXNPFEDSA-N 431.487 2.455 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccco1 1750078343 FLKGNVCRFWVYJR-XOBRGWDASA-N 428.518 2.366 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(C(C)(C)C)no1 1751224361 PCYRSPSSFQXYOH-JLTOFOAXSA-N 449.581 2.352 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1C 1751537428 BIVGDMDOCCHCEU-PBHICJAKSA-N 444.561 2.178 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1CCCO 1760193927 WIDGFYABSOMHFD-JOCHJYFZSA-N 448.571 2.067 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1760259973 JLJJGHLWGXWKBS-YESZJQIVSA-N 438.498 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cc(F)cc(F)c2)CC1 1760269430 IKODTZBTYLXBCZ-GOSISDBHSA-N 443.498 2.269 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCOC)CC1 1760283946 DBQUNSNWXHURJJ-UHFFFAOYSA-N 438.601 2.416 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCCC 1760289952 UGSSITOWCGWGAT-HRAATJIYSA-N 446.577 2.113 30 10 IEEE CC(C)NC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1761260644 DYFUVTJIKSXSAH-OAQYLSRUSA-N 445.527 2.238 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1761466539 LTFVRYRYWPRKQO-ZDUSSCGKSA-N 432.481 2.177 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(C)(=O)=O)C1 1761542761 MJOLRFMRHZJDAW-GOSISDBHSA-N 437.957 2.063 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@H]1N1CCOCC1 1763082604 PZHCRVCSBMSQOX-VQIMIIECSA-N 446.502 2.255 30 10 IEEE CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cn1 1764938059 CINFLZOPYPMOQS-SJLPKXTDSA-N 445.593 2.066 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1765414668 BWFHPLYJPDCOQN-GOSISDBHSA-N 447.547 2.126 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1766369622 OWQQLIVHWRTINR-HNNXBMFYSA-N 447.337 2.223 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2CCCCCO)cc1 1771532825 PGORFJPXJLMNGS-UHFFFAOYSA-N 445.527 2.337 30 10 IEEE COc1c(F)cc(F)c(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1F 1851778708 TVZRQAYOEZWXTN-UHFFFAOYSA-N 430.390 2.255 30 10 IEEE Cc1nc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C#N)c(C)c1Br 1851981275 NWWLAAZRKJTYCQ-UHFFFAOYSA-N 430.306 2.494 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N3CCc4ccccc43)CC2)CC1 1852449430 WSHQYOJUHVWJGG-LEWJYISDSA-N 434.540 2.213 30 10 IEEE COC(=O)[C@]1(NC(=O)c2cnc3c(C#N)c(C)nn3c2C)CCCN(Cc2ccccc2)C1 1852682048 QBTAMXUMQZSWCT-DEOSSOPVSA-N 446.511 2.155 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(Cl)n2)CCN1S(=O)(=O)c1ccccc1C#N 1854457901 ASGXBWRAUOHXMO-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE Cn1cnnc1C1CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1854664446 BIXSMBZHPIJYHN-SFHVURJKSA-N 426.908 2.155 30 10 IEEE CC(=O)N1CCC[C@H]1CN1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1(C)C 1855997554 KFNBMCXAVQXVSU-KRWDZBQOSA-N 430.936 2.480 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3cc(F)cc(Cl)c3)C2)C1 1856433424 NMZSSTWOSJPQRK-CYBMUJFWSA-N 428.851 2.498 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1 1858066969 WXKLMIVIBSSWOO-HXUWFJFHSA-N 427.507 2.447 30 10 IEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 1858986817 JHMCQDCOKMGKIM-UHFFFAOYSA-N 442.541 2.055 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCOCC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708313 XVXGORHQZQDRSQ-UHFFFAOYSA-N 443.508 2.393 30 10 IEEE Cc1c(CN2CCNCC2)cc(I)cc1B1OC(C)(C)C(C)(C)O1 1887521306 AKYWRQOZZAAWIY-UHFFFAOYSA-N 442.150 2.304 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)=C[C@H]1O 2067765444 VNQRFQSMJGXGOT-IAGOWNOFSA-N 434.342 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C[C@H](O)C1 2073756846 MEUWWAGJAPPATQ-ZYNNUQKQSA-N 436.358 2.489 30 10 IEEE C#CCC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O 2159131617 GFNFKGMPKURJCZ-JTQLQIEISA-N 425.098 2.357 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224125156 OGISKKFASDXFOK-QGZVFWFLSA-N 432.374 2.344 30 10 IEEE Cn1cc(I)c([C@@H](O)[C@@H](N)C#Cc2ccccc2Br)n1 2235726220 ORSFEHYTZLFVFR-JSGCOSHPSA-N 446.086 2.200 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247920571 ZQSSMWVYCPUEDX-STQMWFEESA-N 437.371 2.394 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254802856 YLGZWHXAVDXUSM-RYUDHWBXSA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]2COC[C@@H]21 2255343466 XELBFURNLSHBOJ-JYJNAYRXSA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630495 LCMUHNMGIWMGPX-ZFWWWQNUSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255698370 HVZSTUQZRRACLR-CZIWCDLHSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2256679005 RWAWFSYCCZWVFN-ZACQAIPSSA-N 434.342 2.407 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267135947 GZAFNFUXTCACBJ-CABCVRRESA-N 448.373 2.474 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2267275658 QNZFLGCLALLISJ-CGTJXYLNSA-N 445.369 2.452 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 2267483036 MTKNBUYSEWMVSE-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509975 DNBDRTFNTBNXAE-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CO1 2268654707 CPZWLWCWWLFXAG-GJZGRUSLSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCO1 2268698461 AVJYCJVWPFQZKP-NVXWUHKLSA-N 447.341 2.392 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2271430395 VXQUPDCPUXKDDQ-HNNXBMFYSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300337821 NPRRTAJCNAKLDF-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)n1 2315390014 JPKUDRJTLZRSOZ-SJORKVTESA-N 433.358 2.471 30 10 IEEE Cc1cccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)c1 2326991867 LYPVHYGKGUBLQA-UHFFFAOYSA-N 441.513 2.469 30 10 IEEE Cn1c(NN=Cc2ccccc2O)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 2328608985 KSJOLGATQVWDQD-UHFFFAOYSA-N 438.875 2.287 30 10 IEEE COc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCC(N)=O)c(OC)c1 2329727369 PBWZNRUDEPOCPW-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE NN[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(Br)cc1I 2342534585 PCCWEXSZORKXFI-TWJQMWNJSA-N 433.087 2.454 30 10 IEEE Cc1n[nH]c(=S)n(/N=C\c2cc(Br)c(O)c(Br)c2O)c1=O 103650666 ICCUQTAAGJHIJK-BNNQUZSASA-N 436.085 2.428 30 10 IEEE C=CCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H](Oc2ccc(OC)cc2)[C@@H]1OC(=O)c1ccc(C)cc1 106383596 YOVYVYDNSFUASP-AQKHVRLOSA-N 444.480 2.257 30 10 IEEE Cn1c(=O)c2c(nc(NN=Cc3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)n(C)c1=O 254722001 TURSJGWFCOAHIR-UHFFFAOYSA-N 447.455 2.031 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@@](O)(C(F)(F)F)C1)CCCC2 426425823 SOQSHUOCDXMKAE-XOBRGWDASA-N 440.466 2.355 30 10 IEEE COc1ccccc1N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 465223657 LFAXHEXVWNPDAK-QGZVFWFLSA-N 435.532 2.246 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(C)C)c1=O 478735252 QIWFNFRVXPANKL-UHFFFAOYSA-N 427.545 2.393 30 10 IEEE CCCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c2ccc(F)cc21 484324757 WDSDSQBBIXNNIG-UHFFFAOYSA-N 426.496 2.379 30 10 IEEE C=CCn1c(N2CCN(c3nccn(C)c3=O)CC2)nnc1C12CC3CC(CC(C3)C1)C2 508867827 RMAVPOAXUYRENO-UHFFFAOYSA-N 435.576 2.352 30 10 IEEE CC(C)OC(=O)c1cccc(-c2nnn(CCS(=O)(=O)c3cccc(C#N)c3)n2)c1 513785581 PEELMYVGDZPITR-UHFFFAOYSA-N 425.470 2.251 30 10 IEEE Cc1ccc(C(=O)NCc2nc(-c3ccncc3)cs2)cc1S(=O)(=O)NCC#N 518301535 CMEQMSMQCDOYQX-UHFFFAOYSA-N 427.511 2.245 30 10 IEEE COc1c(F)cc(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O 521352135 WBGPUBXKGCOEOY-AWEZNQCLSA-N 445.394 2.424 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cc(OC)cc(C)n2)c1=O 538496864 KNVPJXYSIPWJHR-UHFFFAOYSA-N 435.480 2.333 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCOC2)c1=O 538670937 RVSMSHZWWMZOKJ-HNNXBMFYSA-N 426.513 2.266 30 10 IEEE COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)CC2 542965121 XMQKEHNHDMROFI-CQSZACIVSA-N 426.868 2.272 30 10 IEEE Cc1nc(-c2ccc(CNC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)cs1 552477229 GCQVCNSVWQTFKO-UHFFFAOYSA-N 446.536 2.350 30 10 IEEE COC[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccccc1 552542142 ARQUNFXYADDBKZ-JOCHJYFZSA-N 443.507 2.259 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 555264116 NBCVYVRYWRKATG-QGZVFWFLSA-N 442.568 2.170 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 571328102 BOBIYORTSKSSRS-UHFFFAOYSA-N 435.532 2.310 30 10 IEEE COc1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)ccc1C#N 574567045 ULDUKEFRIUIKKP-UHFFFAOYSA-N 440.884 2.137 30 10 IEEE Cn1ccnc1CN1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 609265208 JETLPMGQVIUARF-UHFFFAOYSA-N 448.487 2.063 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 609458346 QJFLTWHUBIHKRM-IBGZPJMESA-N 433.509 2.261 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 609458914 LEUXDQGDLCZHOH-KRWDZBQOSA-N 449.349 2.257 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(CCOCc2ccccc2)CC1 611190291 REGOMXMTJHHIIY-KRWDZBQOSA-N 427.526 2.481 30 10 IEEE CN1CCN(C(=O)c2cc(Br)ccc2I)[C@H](C#N)C1 690108383 NNZAVDPPFBJGFO-SNVBAGLBSA-N 434.075 2.333 30 10 IEEE CN1CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H](C#N)C1 721329421 KJKBYTJCNLJPJH-JTQLQIEISA-N 434.075 2.333 30 10 IEEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730727594 SJLZFASNOOQPDY-QGZVFWFLSA-N 433.509 2.322 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1C1CC1 732707288 WEEOAGNPKFXYEY-SFHVURJKSA-N 439.903 2.451 30 10 IEEE C[C@@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C#N)c1 744898786 DYVKXYYCSWBLND-CZUORRHYSA-N 433.511 2.343 30 10 IEEE C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nnc(-c2ccc(F)cc2)o1 746014585 JHJUFCFZDZYBON-NSHDSACASA-N 430.417 2.219 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 746311251 CMHUKXUZJCCRPN-DVSFIDLUSA-N 428.489 2.285 30 10 IEEE COc1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc(Cl)c1OCC(N)=O 747336766 JCCWPNKHMVVODH-UHFFFAOYSA-N 442.903 2.483 30 10 IEEE C#CCN1CCC(C(=O)Nc2ccccc2CN(C)C(=O)C2CCN(CC#C)CC2)CC1 753441446 JEJXGLPGZXYSJH-UHFFFAOYSA-N 434.584 2.274 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@H](Cc1ccccc1)C(N)=O 754766363 YUPMMZWJVJWIAY-CYBMUJFWSA-N 425.388 2.410 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCCO2)c1 756079097 GFSAAKJRCGVUDY-CVDCTZTESA-N 442.585 2.236 30 10 IEEE Cc1ccnc(C2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 756253894 WJPFGMMWEIYZEY-OAHLLOKOSA-N 427.530 2.008 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(C)(C)[C@@H]2CCCCO2)C1=O 758648046 ZWPOJRJGMALJJO-SJORKVTESA-N 446.573 2.448 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 763937616 MMUXGUIYQSKFMB-ZVHAPPFCSA-N 447.561 2.022 30 10 IEEE N#C[C@H](Cc1ccc(F)cc1F)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 774320019 KCDGRGUJZYGNQC-KKSFZXQISA-N 439.418 2.418 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 782567836 VXKBRVSEVFZEIJ-ZCNNSNEGSA-N 433.597 2.153 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccccc3)c2=O)cn1 794588486 AAEKLMMWWGXTQN-SFHVURJKSA-N 448.548 2.004 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4ccccc4c3)n2CCOC)CC1 802490348 BVMANPNODGDLIM-UHFFFAOYSA-N 434.544 2.169 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCCC2(F)F)cn1 807935872 HXCOJDZUIXAYEX-LSDHHAIUSA-N 442.536 2.090 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](CC)OC)c1 809944455 WTSFUMHIARXKCI-RTBURBONSA-N 430.574 2.092 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@H]1CCCO1 812275226 PGCKEMXAEFWYIH-IEBWSBKVSA-N 443.573 2.367 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2)n1 856587464 ONUPUNDBFCVVSK-KRWDZBQOSA-N 444.435 2.281 30 10 IEEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCc2cccc(OCC#N)c2)cc1OC 1126121730 GEHNJNOYHKBVQA-HSZRJFAPSA-N 425.485 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1128456700 NRFYXQHHMCLBCT-PKOBYXMFSA-N 444.532 2.370 30 10 IEEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 1141017834 YEMZLTOQJJQXMK-UHFFFAOYSA-N 437.315 2.056 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1151443478 GNIGKMRMGBQTLT-SMYKGBBNSA-N 449.548 2.248 30 10 IEEE C=CCn1cc2ccc(NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C3CCCC3)cc2n1 1209589546 BQKVAWXYFQPNQW-LJQANCHMSA-N 434.566 2.299 30 10 IEEE C#CCN(C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)C1CCN(C)CC1 1228204050 SNPZRNVHGVZONH-DEOSSOPVSA-N 437.544 2.151 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286321316 MSNBMLBDJWJAPC-UHFFFAOYSA-N 436.520 2.177 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)CC1 1286539642 BNJYZFYSIWNPGM-UHFFFAOYSA-N 425.352 2.355 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286610849 CATAIXFPKUNMOX-KRWDZBQOSA-N 439.607 2.240 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286790634 VJNRILGWRHRHBC-GOSISDBHSA-N 438.576 2.425 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1286967619 FTLPZCNRLSVOCJ-DZGCQCFKSA-N 439.488 2.426 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1286973001 YKAAIKXMUXYZBM-YQQAZPJKSA-N 428.541 2.426 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1287044224 GTJQGKTXUOVMJW-CQSZACIVSA-N 442.474 2.271 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1288311430 DFGHANKIQBPQRD-FCHUYYIVSA-N 432.569 2.317 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1288529000 FCMXAXZPKBADFJ-HLAUDOPJSA-N 425.518 2.195 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)s1 1289967459 TWWXFRYONBYSQF-UHFFFAOYSA-N 434.587 2.145 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccco1 1292121808 GOMXBYWWFVTHTP-UHFFFAOYSA-N 448.531 2.431 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1(C#N)CCOCC1 1293574396 HSGFFLAUQPWQRM-LJQANCHMSA-N 447.582 2.429 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300347322 CVVZVRBRYIOVJY-KRWDZBQOSA-N 426.546 2.090 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1300512208 ONLNCVZOBRFTOR-UWXQAFAOSA-N 426.561 2.333 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1300754864 XCQDIMHGXMFHJM-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCNC(=O)c1cc[nH]n1 1300813122 AQYOSPMELJAQFB-HSZRJFAPSA-N 433.516 2.045 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301240929 IHUVJAQQAMDWMA-GOSISDBHSA-N 437.342 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC[C@@H]21 1301593593 QEWKAYXEOQANNC-SJORKVTESA-N 432.546 2.455 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)c1 1302560949 DYNFLROPRVPOOE-NRFANRHFSA-N 443.569 2.090 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC(C)(C)C2)CCOC1 1303507475 VDJWAVWAHXKMJW-XXBNENTESA-N 446.596 2.169 30 10 IEEE COc1cc(CCCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc(OC)c1O 1312471335 RTBDOIHDIVJKIG-JKSUJKDBSA-N 448.520 2.400 30 10 IEEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1F 1312799595 GFAMYLLTPQKPMG-GDLVEWKHSA-N 430.299 2.229 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1314761534 ZQSGPSMNPXFUNS-UHFFFAOYSA-N 441.561 2.402 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1314992289 BJHAXTUXCUOVRD-KRWDZBQOSA-N 435.488 2.036 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1359000140 NAXQZMFLGOIFIY-QGZVFWFLSA-N 444.967 2.042 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359088230 FDSYJTWFCQZCKU-ZDUSSCGKSA-N 440.346 2.298 30 10 IEEE C=C(Cl)Cn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359156386 DEOFNHHIDQZBJI-OXQOHEQNSA-N 426.945 2.457 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359226302 BTMJUWYKOGQLJS-NHCUHLMSSA-N 433.597 2.313 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC[S@@](=O)CC 1359255313 UQPXTOORKFDINL-HKBQPEDESA-N 440.573 2.347 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1359472954 UEXCMEUABUSEOM-AWEZNQCLSA-N 427.509 2.051 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1361097486 CCATZXDFEZJHME-CRAIPNDOSA-N 430.578 2.199 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(Br)cc3Br)C[C@H]1CS(=O)(=O)C2 1439617577 UOECDAXOKUOVLX-XPTSAGLGSA-N 448.136 2.222 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)c1 1470910384 DIGGEQLIQPJWFL-UHFFFAOYSA-N 432.477 2.098 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1)c1cc[nH]n1 1471369598 RCAMDQZNWAVUDU-UHFFFAOYSA-N 447.517 2.094 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC3CCCC3)CCO2)cc1 1472149635 XCCCVTQEXLIPRP-RTWAWAEBSA-N 440.544 2.179 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C2 1472225097 OMCDFOZZYGSQJR-AWEZNQCLSA-N 436.584 2.392 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H](OC)C(F)(F)F 1499307300 JLAPRIKGSATWGI-CVEARBPZSA-N 436.438 2.499 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1504006631 NDFIRUAOYVWBJT-RTBURBONSA-N 425.537 2.394 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CCOC 1507588439 LZKBIRYQSUVWFQ-GOSISDBHSA-N 431.537 2.086 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633318 FVJNMLWFXPKIRM-RBUKOAKNSA-N 437.654 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCCCCC2=O)CC1 1507733652 HDDKEZGCLHWIRU-UHFFFAOYSA-N 428.581 2.160 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O 1507796842 QWXQHYXTXBOYFS-WBVHZDCISA-N 439.969 2.456 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccccc1 1507929218 OGMOJLQNDWNVIR-AZUAARDMSA-N 436.560 2.427 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1 1508006823 MMCWKQOSSRYWIV-UHFFFAOYSA-N 426.546 2.397 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)C1CCC2(CC1)OCCO2 1508093062 AESVMIHMOFXTEJ-UHFFFAOYSA-N 439.560 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)C1 1508122058 HPNWYQQUNINDBI-IKGGRYGDSA-N 430.578 2.375 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509267102 WXCWXZKAGHAYNP-QHCPKHFHSA-N 448.531 2.457 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1ccc(F)cc1 1519449911 OKDUSKPRDGVWCL-FVCZOJIISA-N 445.495 2.337 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cc(C)c(C#N)c(C)c4)CC3)C2=O)n(C)n1 1522236435 GKHVCMZCYDZLDE-NRFANRHFSA-N 434.544 2.170 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cnn(CCC#N)c2C)c1 1522495613 KWCADDWCPIFMSZ-UHFFFAOYSA-N 432.550 2.454 30 10 IEEE COC(=O)[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[C@@H](OC)C1 1527246646 JFZMWGZODKJVDH-VVLHAWIVSA-N 425.526 2.437 30 10 IEEE Cn1ncc(I)c1C(=O)Nc1ccc(Br)c(C#N)n1 1529892009 IOEUUQHQNYEJDQ-UHFFFAOYSA-N 432.019 2.306 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1537838688 DVRSSIRNZPGYCR-HSZRJFAPSA-N 428.533 2.266 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1539086783 LWZVXHQVDIICEO-LAUBAEHRSA-N 430.509 2.003 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 1539116394 NRTOEXIHPFZRJZ-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539203811 VKKSFWNQLVFOOG-ZIAGYGMSSA-N 436.500 2.170 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539204659 BBSFGMAGGHBSCP-DFQSSKMNSA-N 430.574 2.482 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539211773 OPEYVRKHRYFJKP-OALUTQOASA-N 426.542 2.225 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1539459683 MVKWTNGUTCGOCS-RBBKRZOGSA-N 434.544 2.299 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCCN1CCOCC1 1539541902 OQOONARLNOSDFZ-PKTZIBPZSA-N 431.581 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1540903191 AJLQKFDOKRQORL-MAUKXSAKSA-N 431.518 2.130 30 10 IEEE C[C@H](CN1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1542160494 WHTNIKFFVIHMPZ-HLGQQVFSSA-N 436.578 2.186 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)Cn2nc(Br)c(Br)n2)cc1 1542168328 QDSRALIZOKDZGU-UHFFFAOYSA-N 443.099 2.358 30 10 IEEE Cc1cccc(CCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1542646914 FRUCCHDMODUWAK-NZQKXSOJSA-N 440.548 2.384 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)cs1 1542913588 CSGLIVAXCNZWCH-HXUWFJFHSA-N 425.493 2.223 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](OCCOC)C2)c1=O 1547625559 ZTXRMUOLIQFMPP-NRFANRHFSA-N 448.527 2.288 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(C)COCCO1 1548161883 VDWXUZYINWUOOW-HSZRJFAPSA-N 440.548 2.208 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)C#N 1548325830 LKEMMUGVPKRMDL-CQSZACIVSA-N 439.973 2.261 30 10 IEEE COC[C@@H](F)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555276620 QNUBBKZVXZQJKP-HOCLYGCPSA-N 434.466 2.308 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 1557227200 YLIZIBQFWVJXHE-UHFFFAOYSA-N 441.509 2.209 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CNC(=O)NC4CCCCC4)CC3)n[nH]2)cc1 1557389525 GCWAGLKJLSJBME-UHFFFAOYSA-N 435.532 2.229 30 10 IEEE CC[C@H](O)Cn1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1558634262 YRHZFYCFLFELGU-DJLDLDEBSA-N 436.303 2.292 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 1561155066 TWBSMENADFSVSV-DLBZAZTESA-N 448.404 2.311 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 1565603779 GOPPHXZCCQLSDD-LJQANCHMSA-N 443.548 2.017 30 10 IEEE C#CCOc1ccccc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1567740920 JIFDVUVAAOBYQP-JTDSTZFVSA-N 448.541 2.307 30 10 IEEE COCC(C)(C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1570504374 WFMCLYGSUORXEZ-OTQYULQBSA-N 434.581 2.342 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 1587520225 GWDCRIGTZWOHLL-QRFRQXIXSA-N 431.537 2.072 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1587787773 QUHDSYPKMYXUQK-IBGZPJMESA-N 427.530 2.156 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1589042676 KBAOYHOOSYCISK-FQEVSTJZSA-N 441.649 2.255 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1594193669 SMGBZNUXJMTAMH-XXBNENTESA-N 433.597 2.442 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1594807707 XJFATMSONKEHAH-OAQYLSRUSA-N 431.562 2.256 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1594811965 AWPNNKRXZROHRE-IBGZPJMESA-N 432.569 2.103 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1594943860 ZVNFHKXEEKLYAM-QGZVFWFLSA-N 437.548 2.018 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1595595023 QEKDFFZOTZBUED-QFIPXVFZSA-N 442.589 2.143 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1595784958 OXBNTFHLLAYCKB-UHFFFAOYSA-N 443.529 2.282 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1596814343 VFHPQIRKNWZDMM-MRXNPFEDSA-N 444.561 2.094 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 1597476708 FMEJEJYASKTHRV-IBGZPJMESA-N 447.557 2.473 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)cc21 1611674710 PHXCYIUQYRFRTH-UHFFFAOYSA-N 433.472 2.165 30 10 IEEE C[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612768233 YAMQPHUMXNOQQC-BFQBXFRASA-N 435.532 2.417 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1613002447 RICSDTHFULIBGO-ITZAQCPESA-N 442.907 2.350 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617174505 MELTUFYMKUESAG-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CC1 1618029874 KKKXQJDIFVQPEP-UHFFFAOYSA-N 430.486 2.420 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1618866293 GZONUKRJLBSCJI-VQTJNVASSA-N 439.516 2.258 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1619615897 MANCKTRUOQUOJV-OAQYLSRUSA-N 442.539 2.350 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](N(C)c3cccc(C#N)c3)C1)C2=O 1627789799 CNBNKKXTWRDBBW-QOALBKQRSA-N 437.544 2.486 30 10 IEEE C=C(C)CCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1629338603 GRSHMGHYQJQEBK-UHFFFAOYSA-N 443.953 2.114 30 10 IEEE Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)cc1S(=O)(=O)NCC#N 1629468952 GNAPOHKPDCWGIR-GOSISDBHSA-N 427.461 2.179 30 10 IEEE CCO[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H]1Oc1ccccc1 1633620269 IPMLJRAQDKMWRS-XUVXKRRUSA-N 432.473 2.478 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814402 RZAYYKUJHTVYTK-SFHVURJKSA-N 440.544 2.291 30 10 IEEE C=CC1(CC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CN(C(=O)OC(C)(C)C)C1 1635837150 CPPDEWWXIMDBEV-HNNXBMFYSA-N 434.489 2.084 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1639961729 GWLOMPXSEVGWFZ-OAQYLSRUSA-N 427.526 2.151 30 10 IEEE C#CCOc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1 1640953469 MTBFINILYOHCJY-UHFFFAOYSA-N 448.260 2.349 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n(-c2ccccc2)c1C 1648244053 OGEQSNJAHGFQER-ROUUACIJSA-N 426.542 2.271 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(C(=O)N4CCOCC4)CCCCC3)n[nH]2)c1C 1648736546 UBXFDDRKJVUDDG-UHFFFAOYSA-N 440.548 2.368 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)C2)nc1 1652331983 MLIODUTYMGXGIF-WWNBULGVSA-N 428.562 2.082 30 10 IEEE CN(CCNC(=O)C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1)Cc1ccccc1 1652611185 XBHCVNLWBFCGNQ-HSZRJFAPSA-N 442.604 2.018 30 10 IEEE O[C@H](CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1(O)CCOCC1 1655766536 DKTQEURGJNTSCC-DCAQKATOSA-N 427.332 2.382 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3cc(Cl)nnc3C2)CC1 1659163211 VFUKQVHPEYEALS-LJQANCHMSA-N 428.899 2.036 30 10 IEEE CN(C)CCCOc1cnccc1CNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1673273257 YPIMFVNKAIZLTB-FQEVSTJZSA-N 437.548 2.465 30 10 IEEE C#CCOc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)cc1 1686408074 RDUNJNXEFDNXCS-NRFANRHFSA-N 437.496 2.316 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)CCOC)c1 1689870470 OXVZJAPJLWLVFL-QHCPKHFHSA-N 436.516 2.117 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689986071 IANRBJGKDBQZKI-AJYBTWMASA-N 443.573 2.170 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCC)CC1 1690115090 RGJNSJFNBWZKAR-UHFFFAOYSA-N 444.605 2.141 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1690585975 BUFWYXGWBSPXNT-HRAATJIYSA-N 432.546 2.067 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccccc1OC 1690659657 ZLAHOHKUZQTNNR-KRWDZBQOSA-N 426.521 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690665836 REXNPEGFTMRIKI-SFHVURJKSA-N 425.533 2.387 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccsc2)C1 1690684952 SHDVWNSQLRUYGP-DYESRHJHSA-N 431.562 2.265 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2n[nH]c(C)n2)C1 1690691591 HHFJZEGIEMBIMC-KRWDZBQOSA-N 439.520 2.413 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)C1 1690700056 NCMBSSQTZQUCCM-HBMCJLEFSA-N 432.613 2.327 30 10 IEEE Cc1nccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)cn1 1693378339 FCVDRSAIORIFII-HSZRJFAPSA-N 447.547 2.484 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1 1693551414 FLDQUQJYTHYUNP-OYHNWAKOSA-N 436.541 2.453 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1695590096 QZGISZMYFTXYGY-XMMPIXPASA-N 449.559 2.182 30 10 IEEE COCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1697975956 AOBKGEVSNLRTCF-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE C[S@](=O)C1(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CCC1 1698338526 YKXFLDYOLPEVGL-PMERELPUSA-N 428.562 2.412 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1705525584 NTSTXLWFCRXDGL-IBGZPJMESA-N 433.354 2.422 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1705585523 GKXAQEWOFXJQSJ-UHFFFAOYSA-N 430.512 2.060 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705633996 FJJASLWOBURZSU-IBGZPJMESA-N 447.486 2.142 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1705635195 SXBUOLRGNPZUDE-HFMPRLQTSA-N 445.608 2.281 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1705642551 XUNNUPIVPQDWRU-WKCHPHFGSA-N 425.581 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC=CCO2)CC1 1705650444 RSNFJLMJLUPCIP-NRFANRHFSA-N 437.519 2.319 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1705844124 WLVTWNVLPUJINJ-MRXNPFEDSA-N 443.932 2.074 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)C1 1705925763 TZHKDVZJYMIZRU-WMLDXEAASA-N 438.500 2.288 30 10 IEEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1708266958 QJACUPSTDFIGFX-RLBWVDARSA-N 449.540 2.285 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)c1cccs1 1710698438 XNSLWQOEMLAQSQ-OAQYLSRUSA-N 440.529 2.319 30 10 IEEE COc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(C)=O 1711954925 SIZQVZMTZYOGBA-UHFFFAOYSA-N 447.499 2.015 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1722291925 SKLDCXYTHNYFHK-HUUCEWRRSA-N 443.495 2.326 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1722339695 YXTPUNCUSUXUFM-UHFFFAOYSA-N 436.560 2.287 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1722359943 XQHBJZLTLICNCL-VQIMIIECSA-N 430.574 2.304 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722372154 QKIPKMXRDSBLAE-FQEVSTJZSA-N 442.585 2.417 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CC[C@@]3(CCOC3)O2)n1 1722428526 WZBZMOVSFUTZRO-OFNKIYASSA-N 442.564 2.222 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC[C@H]2CCCCO2)CC1 1722433483 WXXYIOZWJXOVHU-NFBKMPQASA-N 431.581 2.035 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)CC1 1722437446 TXVQWRWCTCBSGE-MRXNPFEDSA-N 449.481 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C2CC(C(C)(C)C)C2)CC1 1722447100 DUEHIGKKQZWSGL-DAWZGUTISA-N 426.565 2.192 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722509198 NXXOBOJVNGDKTB-HKUYNNGSSA-N 437.610 2.435 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722510204 RWDCWGLMYNWIFW-TVFCKZIOSA-N 438.594 2.165 30 10 IEEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722567724 JCHQBNBGJDVTLB-FQEVSTJZSA-N 436.965 2.228 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1722720421 LCGNLMLIQOTACZ-RDPSFJRHSA-N 439.560 2.332 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cc2F)CCOC1 1723690201 IWIVKRXUMQBNAG-LAUBAEHRSA-N 433.459 2.374 30 10 IEEE C[C@@]1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)COCCO1 1724039542 HRPQFXMYYHLKMF-AUUYWEPGSA-N 448.321 2.242 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCNC(=O)C(C)C)o1 1724320600 VGIZHJMQFNCVJJ-UHFFFAOYSA-N 448.531 2.212 30 10 IEEE Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1724366972 GFZKYWGLBBIHET-QFIPXVFZSA-N 440.454 2.494 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1728187322 VXEXVXNUAVZQQQ-INIZCTEOSA-N 439.520 2.010 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1730713238 VIHXOEWNXFALRJ-UHFFFAOYSA-N 449.515 2.222 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)C1 1731002960 LAURQCLGNXBKIJ-LJQANCHMSA-N 425.514 2.200 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CC[C@H]2COCCO2)c1 1731180415 IGNRSBZFXJJCLA-SFHVURJKSA-N 432.475 2.009 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(O)CCC[C@@H]2C)c1 1740565437 VQJKFAOILSDKOM-GAJHUEQPSA-N 425.533 2.422 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN(C)CC(F)(F)F 1740647477 USXRZCUWJMBQSE-HXUWFJFHSA-N 441.498 2.276 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCOC[C@@H]2CCOC2)CC1 1740693822 OBQNWNUJSPMLBN-FQEVSTJZSA-N 439.560 2.152 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccnn2)CC1 1740794391 ZIVIKUQGCFAZEP-UHFFFAOYSA-N 440.577 2.343 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@H]1C 1740893677 SDMXLPMSJLDKAF-IERDGZPVSA-N 433.578 2.369 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740949862 VPHYMJVPPVEOOW-UYAOXDASSA-N 430.597 2.127 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)C1 1740973256 TXHBQAXFQABDTJ-AVRDEDQJSA-N 429.521 2.163 30 10 IEEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1(C)C 1743374602 CLZWLLIQKDJTCJ-WBVHZDCISA-N 429.546 2.255 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1747581118 HSJNPPWSFUKTCS-SFHVURJKSA-N 430.578 2.028 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748706970 WTDFBOKPNKUGFI-UHFFFAOYSA-N 433.516 2.344 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1748751012 SPTPMIOVTRFLLF-FQEVSTJZSA-N 425.581 2.383 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCOCC1 1748791349 SQUFRORNYHDQHB-UHFFFAOYSA-N 433.553 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC2(C)C)CC1 1749001683 YOLKYVSIHPYTOQ-QGZVFWFLSA-N 428.581 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCn2ccnc2C)CC1 1749011078 TVSIFRDLQGQINQ-UHFFFAOYSA-N 431.544 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1749017207 XAKRWQNZIYANMD-QUCCMNQESA-N 436.560 2.045 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749255665 GQQCQKGTVSGIMN-HUUCEWRRSA-N 438.893 2.215 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1749493398 DKEVZFHRQQACEQ-FOIQADDNSA-N 439.582 2.077 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1750380955 DBRQMRWXLXNYNO-FXAWDEMLSA-N 428.493 2.226 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1750754254 UHGLUHRQWBJDDS-XMMPIXPASA-N 435.576 2.149 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCN(C)C)CCOC1 1751023372 SYJGZXXXXNAJFQ-FGZHOGPDSA-N 434.585 2.027 30 10 IEEE CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1752263234 BAAPPQIJPMGYNR-GHTZIAJQSA-N 434.610 2.042 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1760251633 FDIDGTSIYIRPKT-IBGZPJMESA-N 442.633 2.466 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 1760264600 AKXYEUBGJSPFMH-UHFFFAOYSA-N 446.559 2.170 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](OC)C1 1760326525 XBVZKMXYHBTRMG-GPMSIDNRSA-N 431.562 2.476 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CCN1CCN(C(C)=O)CC1 1760499925 PAFXFQALUKIJRW-UHFFFAOYSA-N 449.559 2.332 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760525572 KHAAOTGOHWYHFB-QGZVFWFLSA-N 440.577 2.183 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(CC)c2)C1 1760538586 UYRSIPLLOOVOGA-UGKGYDQZSA-N 430.553 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCOC1 1760557101 ACOQUJBZBZYCMN-MRXNPFEDSA-N 440.953 2.336 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)CC1 1761554062 JYJKXMSUVPNPBE-UHFFFAOYSA-N 439.911 2.277 30 10 IEEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)on1 1762685985 ADNMYFZEQGRBOH-GOSISDBHSA-N 434.548 2.386 30 10 IEEE CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1764059357 APNKSVWCJMUDFR-SIKLNZKXSA-N 442.543 2.314 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1764182614 UVZLQDKIHKYUKI-UHFFFAOYSA-N 447.547 2.241 30 10 IEEE CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cn1 1764614838 BBBJZVVZEDRQJI-NRFANRHFSA-N 427.484 2.075 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)C(F)(F)F 1768052029 DUBVJEWHBMCZQU-YESZJQIVSA-N 448.449 2.499 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SC)C1 1768293376 CLJIJTGHFRHLDR-GOSISDBHSA-N 448.618 2.478 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)c1 1768388696 FNTMBGNJXMRGQD-HXUWFJFHSA-N 449.515 2.200 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769520741 AKQYJOGDJFMRDQ-KRWDZBQOSA-N 447.547 2.450 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC1CCCCC1 1771189824 YIDUTLULSPHXCQ-IERDGZPVSA-N 436.532 2.283 30 10 IEEE N#Cc1c(C(F)(F)F)nsc1O[C@@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1849724355 LRONBJQXOFSNGW-TZMCWYRMSA-N 436.415 2.424 30 10 IEEE COc1ccc(-n2nnc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)c2C)cc1Cl 1851423499 YWIAJFHCUMLDOG-HNNXBMFYSA-N 440.847 2.482 30 10 IEEE COc1ccc(N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2nccc(N(C)C)c2C#N)cc1 1852428042 ROUWEUVGDJKAGK-IBGZPJMESA-N 443.529 2.117 30 10 IEEE C=CCN1CCN(Cc2c(Cl)n[nH]c2C(=O)N(C)Cc2c(C)nn(CC)c2C)CC1 1853562504 BRDGMARNDNMOSF-UHFFFAOYSA-N 433.988 2.472 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCc3ccccc32)C(=O)C12CCCCC2 1854402927 BCCQRRHGGVDUCW-SFHVURJKSA-N 429.542 2.334 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4c(F)cccc4F)C(=O)C3)C2)s1 1856326877 MTWSIBIAAIODLD-AWEZNQCLSA-N 430.480 2.457 30 10 IEEE COc1ccc(C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)CC#N)C2)c2ccccc2)cc1 1856982986 DLEYYNVCVWNJRH-UXHICEINSA-N 430.482 2.034 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 1861663643 OMVGCIMTJSCURM-OSMZGAPFSA-N 431.714 2.134 30 10 IEEE Cc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4sc5c(c4C#N)CCC5)cnc32)c1 1870103361 CUVBHNXXZCPQEH-UHFFFAOYSA-N 445.508 2.405 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](C(=O)N4CCCCC4)C3)n[nH]2)c1C 1891543810 IPNPLOOOQBQMJY-HXUWFJFHSA-N 440.548 2.320 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060625943 QDSFNIICTCHYOW-TVYYEHBDSA-N 436.358 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2224130832 NRTRBCOQXYMNAE-IRXDYDNUSA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCC#CC(=O)O 2229096449 OPQZCEPSMOESJQ-CQSZACIVSA-N 425.279 2.089 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243422386 CXJIQILMEJJHJC-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255606609 WUEQUDLBNLVDSB-CQSZACIVSA-N 434.346 2.228 30 10 IEEE Cc1cnc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255609459 UDAPZZDLRYWTAC-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2255707561 XRCFPYCBIKVGBX-UHFFFAOYSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255875207 UFLZNBNLSFHELP-HNNXBMFYSA-N 429.326 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255924837 ADYZWUKMZYYDAZ-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256594905 FFQGLHUVBFYKKV-UHFFFAOYSA-N 449.342 2.495 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258892979 ZIBYILWVAMSUNV-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2266747991 NOSCOPFMRMIYBM-CABCVRRESA-N 447.341 2.328 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2267090779 NQUVDIDOSODXMX-OALUTQOASA-N 436.365 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)(C2)C1 2267091722 SAADLMGNWCBMQH-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CO[C@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267106265 XLCOLWNNXAMDBU-MSOLQXFVSA-N 446.353 2.350 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267188451 MGYMWHCNQWVOBD-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267264487 RUDCXFOPVCVLDN-YJBOKZPZSA-N 443.353 2.462 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267268800 ZIKMCQTWEXAZBW-HUUCEWRRSA-N 449.332 2.458 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CC1 2267505050 CALHVTPUVJEJMH-HXUWFJFHSA-N 438.381 2.360 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267513625 PRABVGDPXXTLNQ-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2267523751 GUVUJEFRXXRBTO-GDBMZVCRSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3ccc(N)c(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2267841556 QCYOSEZCQITKCO-RTBURBONSA-N 445.369 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@H]2CCO[C@H]2C1(C)C 2268649118 ATGUKKMAQCEETE-PXAQALGRSA-N 448.369 2.446 30 10 IEEE C[C@@H]1COCCN1CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2285427532 BPFNZSVAJIHFBW-CYBMUJFWSA-N 427.148 2.243 30 10 IEEE CCCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 2314462748 VDSIGQWHSYITOH-UHFFFAOYSA-N 445.614 2.411 30 10 IEEE CCCOc1ccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 2325717078 QNVXMJCEPBCWNS-UHFFFAOYSA-N 446.525 2.073 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2334270271 SRHXSNUMDHJRJY-KKUMJFAQSA-N 446.357 2.084 30 10 IEEE Nn1c(N/N=C/c2cccc(Br)c2)nnc1SCC(=O)Nc1ccccn1 20292136 JNLSXCBVLUFHIJ-AWQFTUOYSA-N 447.322 2.326 30 10 IEEE COc1ccc(-c2nnc(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)o2)cc1 27352891 MZCAEOIKQISNBQ-UHFFFAOYSA-N 439.497 2.123 30 10 IEEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccc(F)cc1 59884776 TVWYPBHWMMABPP-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE CCOc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)C2=O)cc1 238815080 BGHLTAWJFMIUNO-FQEVSTJZSA-N 435.484 2.274 30 10 IEEE CN(C)c1nccc(N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)n1 428651801 RCAHTICZLZOWPH-UHFFFAOYSA-N 430.516 2.282 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCC3)c2=O)cc1C 431024529 PHJPCSXSHMHABN-UHFFFAOYSA-N 425.554 2.288 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 437936333 VCPPQJXIAYEPFV-OALUTQOASA-N 441.576 2.256 30 10 IEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NCCOc1ccc(C#N)cc1 438085660 PIDNYNAJRNRBBD-UHFFFAOYSA-N 437.500 2.155 30 10 IEEE CC1CCN(Cc2csc(NC(=O)CN3CCN(c4ncccc4C#N)CC3)n2)CC1 506945102 GXFRNRGXPPAZIL-UHFFFAOYSA-N 439.589 2.402 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 508479196 WXWUUGYULRTDHY-IEBWSBKVSA-N 433.578 2.454 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OC(F)F)CC1 508827930 SRGORLCEHRQMQC-QGZVFWFLSA-N 449.458 2.116 30 10 IEEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 509016339 ZHAYMKMDVWPAEA-FQEVSTJZSA-N 440.592 2.371 30 10 IEEE COC(=O)c1cc(I)cc(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 536302430 NPOJXLRKILMJQS-INIZCTEOSA-N 427.242 2.298 30 10 IEEE CC(C)CN(C(=O)CNc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 542004448 IUQICGXMUNPPCX-MRXNPFEDSA-N 449.964 2.481 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1=O 544031429 GUYLTYVMFBBWPX-LJQANCHMSA-N 433.468 2.385 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553817754 JDYKHWHBYLRMFH-OAHLLOKOSA-N 441.395 2.111 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 555255867 OCUNVLGSVNBAJQ-RTBURBONSA-N 431.562 2.181 30 10 IEEE CCc1oc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc1C(=O)OC 570944241 VEAUIPBKXCSGRU-UHFFFAOYSA-N 426.494 2.059 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 579265265 CKDZHLFKSQVZOD-UHFFFAOYSA-N 448.497 2.199 30 10 IEEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 585355780 OCALZTBLFXGOHE-UHFFFAOYSA-N 430.486 2.178 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N[C@@H](C)c3ccccc3)cc21 586314357 OVYREYJJDTYSBT-ZYSBOAIWSA-N 440.521 2.407 30 10 IEEE Cn1cc([C@H](NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C(F)(F)F)cn1 618557514 TZCSUTJBNFOWEI-HKUYNNGSSA-N 438.429 2.161 30 10 IEEE Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)NCC#N 731184463 FBHDAFYFALAHEB-MRXNPFEDSA-N 440.525 2.415 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN(c3cnn(C)c3)CC2)cc1OC 746351005 XUXKOSADTKHUJA-UHFFFAOYSA-N 429.521 2.307 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCc4ccccc43)n2C[C@@H]2CCOC2)CCN1C1CC1 752849317 UBQSVQCWORBHMP-SIKLNZKXSA-N 447.587 2.444 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)/C=C\c1ccncn1)CCCC2 754919324 FPQYMDWFKZOACN-QWPQOLDESA-N 435.484 2.403 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757466912 UPKHUPURBFPDLO-FYYLOGMGSA-N 448.475 2.229 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2C[C@H]3CC[C@H]2C3)cn1 757914778 GIQYGZQFHUNHAG-IMBTUZDBSA-N 446.621 2.339 30 10 IEEE C#CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 774181391 VGRDRAKRNNGKED-ICSRJNTNSA-N 433.574 2.054 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)c1 776709678 GOWKLEXREBZYJJ-UHFFFAOYSA-N 435.889 2.189 30 10 IEEE O=C(COC(=O)c1cc2c(O)ncnc2cn1)NCC#Cc1cccc(C(F)(F)F)c1 778462491 GAQDUBOFWWNYSP-UHFFFAOYSA-N 430.342 2.074 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H](C)c2ccncc2OC)C1=O 783508355 QDWNCPKNQZXBTD-MNUNOFIWSA-N 427.530 2.225 30 10 IEEE COC(=O)C1=C(C(=O)c2ccncc2)[C@H](c2ncc(C(F)(F)F)s2)NC(=S)N1 788477690 XMODVGBJMCKHMJ-SNVBAGLBSA-N 428.417 2.386 30 10 IEEE CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 790543244 RNPJWXGINGQUPB-IBGZPJMESA-N 428.512 2.088 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799408724 VPKRDYOINKDWDX-UHFFFAOYSA-N 434.424 2.237 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 803519785 CAEQYMLBKVZBPE-LJQANCHMSA-N 442.537 2.267 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 814981256 ZQSRVYNNNAQCDQ-UHFFFAOYSA-N 425.829 2.165 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN(C)c1ccc(Cl)nn1 919113655 LSBMHRUTRWYOEU-CQSZACIVSA-N 431.880 2.453 30 10 IEEE Nn1c(NN=Cc2c[nH]c3ccccc23)nnc1SCC(=O)NCc1ccc(F)cc1 1084291179 JAMFUGWOARVMJW-UHFFFAOYSA-N 438.492 2.467 30 10 IEEE CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CC2(C#N)CC2)CC1 1124380387 GICGNDGUZFRHPS-UHFFFAOYSA-N 447.605 2.491 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@@H](O)c4cccc(C#N)c4)C3)[C@@H]2C1 1175639344 WWYMTGBJCKLCAR-NMLBUPMWSA-N 442.516 2.106 30 10 IEEE COC(=O)c1ccc(CS(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1191951942 HCDHQVBDQXZXOF-UHFFFAOYSA-N 427.526 2.429 30 10 IEEE COc1ccc(C[C@H](CO)CNS(=O)(=O)c2ccc(C#N)o2)cc1Br 1211883027 CLNBAAUBXLKHSD-LBPRGKRZSA-N 429.292 2.052 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(C)C)c1 1286311356 HJWBFPLBKFOLAU-LJQANCHMSA-N 448.575 2.146 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286325245 TZASSGMKYKQFOT-NHCUHLMSSA-N 442.608 2.456 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1286356066 JVPIBDJSCBANGZ-IBGZPJMESA-N 440.592 2.289 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCCC2)c1 1286376169 GUVRRFKBWVOTHU-SFHVURJKSA-N 443.573 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1286423399 TWFIIQTVMSQSDE-VWLOTQADSA-N 449.555 2.132 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](OCC)C(C)C 1286516953 OAGIQMIVYXCFSH-MBOZVWFJSA-N 425.599 2.332 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1286593990 YCXIPRXMLRWGOT-HXUWFJFHSA-N 440.548 2.015 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286608595 RXHSZQZSNIXRBC-SJLPKXTDSA-N 448.593 2.020 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C)CC1 1286609575 MSAKZPIFNJILGF-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1286789494 FBBZWUXRXIIEEN-UHFFFAOYSA-N 445.571 2.477 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1286798417 HMRFTTQJGJUUFX-SJLPKXTDSA-N 429.546 2.389 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1 1286799358 UKMUKGJGTVZWDI-IBGZPJMESA-N 432.546 2.368 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286821351 IARNRLBOXUSVLB-XLIONFOSSA-N 447.580 2.282 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1288099423 AVKOEWGWVBLDEB-NRFANRHFSA-N 442.499 2.000 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1300324897 OHJRUIFRWIZVQX-IBGZPJMESA-N 440.592 2.350 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCn2cncn2)c1 1300335012 YFKGITLDKLOMHD-UHFFFAOYSA-N 446.540 2.278 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1300496268 PBIRUUIJKOKRTK-FUHWJXTLSA-N 434.587 2.217 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300497689 CDTMQFGFBWZNQW-TZIWHRDSSA-N 442.585 2.231 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1300501296 IXSYJDMONVJDQR-FQEVSTJZSA-N 440.569 2.470 30 10 IEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1301166122 PWKMBJVIYBRYAK-HXUWFJFHSA-N 449.559 2.334 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301188873 PJQVCTWLKMFEMX-GOSISDBHSA-N 437.610 2.231 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C[C@H](C)O1 1301404697 FTWFHDRFAHLLJD-OXJNMPFZSA-N 438.488 2.314 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1301490571 VRMOIJXRGNNNNN-CYBMUJFWSA-N 434.903 2.002 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1301967578 DZBHYKPAXZWCKB-HKUYNNGSSA-N 431.562 2.383 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cc1Br 1303936167 NWLRPKUJMHBORA-CYBMUJFWSA-N 427.320 2.316 30 10 IEEE CCCOCc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1313531462 PXDQECONTTTYIW-FQEVSTJZSA-N 438.532 2.218 30 10 IEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1314653773 HEVRZCVTTMPXAC-OXJNMPFZSA-N 431.541 2.207 30 10 IEEE CN1CCN(c2ccnc(-c3noc([C@@H]4CC(=O)N(c5ccc(C#N)cc5)C4)n3)c2)CC1 1320333685 PMMXWFOYPCIBRN-QGZVFWFLSA-N 429.484 2.276 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1322985762 QTDPLDPVQZZIRG-UHFFFAOYSA-N 438.480 2.472 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(CCN3CCC(C(N)=O)CC3)cc2)cc1C#N 1338206979 FLHYKWSRVPTQAO-UHFFFAOYSA-N 439.541 2.373 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C#N)ccc3C)CC2)cc1OC 1354014932 ACDSRKPAXSHJER-UHFFFAOYSA-N 443.525 2.467 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2OC)CC1 1359165471 PQEBAKBPIPLMQX-QGZVFWFLSA-N 432.546 2.402 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359201207 GMYWNYTUAIKNPQ-UHFFFAOYSA-N 438.580 2.226 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CNC(C)=O)CC1 1359295990 SWCWGINOFVIBAL-UHFFFAOYSA-N 448.930 2.392 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1359307051 ZDIFTBLXXMTWQD-QGZVFWFLSA-N 429.521 2.394 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359344785 IVBMYAUTABQTFW-HXUWFJFHSA-N 428.606 2.342 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1360469953 JTGHQSVSSBJJGJ-RHSMWYFYSA-N 447.521 2.016 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cccc(F)c1 1360684231 MDAVTSLPZIOMTI-KUHUBIRLSA-N 438.504 2.102 30 10 IEEE COC(=O)c1c(F)ccc(F)c1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1439456232 SCJRUTIPZLTOOV-OAHLLOKOSA-N 442.378 2.467 30 10 IEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)/C=C\c1ccc(F)cc1 1442470072 OXDKHBAPCTZBKG-UITAMQMPSA-N 425.460 2.443 30 10 IEEE N#Cc1cc(NC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)ccc1N1CCC(O)CC1 1446025200 POZBUBCBBBREJF-IRXDYDNUSA-N 427.423 2.442 30 10 IEEE C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1446509325 CGZRKGDEANRACR-OAHLLOKOSA-N 430.505 2.473 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1454353042 GRVOODCWRVQVDP-IBGZPJMESA-N 443.525 2.114 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cc1 1466736343 IEXHXIGQJGIQQO-ZIFCJYIRSA-N 426.517 2.477 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccc(Br)cc32)c1 1470030655 QKZZWJOWJUETLO-UHFFFAOYSA-N 435.299 2.400 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(C2CCCCC2)c1C 1473707420 MBTSXWQOYPCBCM-DHIUTWEWSA-N 425.533 2.405 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(OC)CC1 1503281996 HSHLWYYQWDYHMY-NRFANRHFSA-N 446.577 2.151 30 10 IEEE COc1cc2c(cc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)O[C@@H](C)C2 1504132581 DKVCOVUMLGLHAL-FPTDNZKUSA-N 442.495 2.239 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1504998476 JGRYNCSCIAONPB-OAGGEKHMSA-N 446.577 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1507515977 AELAIIPLIWFLID-QVKFZJNVSA-N 443.939 2.327 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC(C)CC1 1507528799 NWBAYSCMNJYSRW-GOSISDBHSA-N 443.621 2.428 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCn2cccn2)c1 1507551095 AHYCCBFXAKINSO-HXUWFJFHSA-N 433.516 2.473 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507571888 QBNCPIRFACDEMP-FHWLQOOXSA-N 438.594 2.209 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507590766 GKLFHNJLJQHKGR-UHFFFAOYSA-N 433.553 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2cc(C)nc21 1507636684 IYLGUEUDKNTCJP-SFHVURJKSA-N 428.500 2.081 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCO1 1514179613 HEFBXMUBAALYTG-PGRDOPGGSA-N 427.505 2.149 30 10 IEEE CCOCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCN(C)C(C)C 1516585851 CCSHFLIJAQYUEM-UHFFFAOYSA-N 442.568 2.218 30 10 IEEE Cn1cc([C@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CCO2)cn1 1517363580 CTJJWVYOSGFOPW-QHCPKHFHSA-N 435.532 2.463 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)C[C@H]1C 1519229192 HNTNGRRCWXRUHY-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1522366766 NKEALCAUNVDCLZ-CQSZACIVSA-N 435.527 2.123 30 10 IEEE Cc1cc(C(=O)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)ncc1C#N 1538128980 KNXIJHFLVHHONA-INIZCTEOSA-N 441.454 2.475 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC=C 1538991764 DFVAQCKPCDGMRY-CYBMUJFWSA-N 432.322 2.476 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H](O)C1 1539305176 SBAWDFLFRRHOSN-ICSRJNTNSA-N 440.569 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N(C)C)CC1 1539475266 ACDMPSCSUIUNJW-UHFFFAOYSA-N 442.951 2.043 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539551817 AGHSQBAHBPCZRZ-JOCHJYFZSA-N 436.541 2.320 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539621954 DDFSARXZVCCSPN-ANTGDGSKSA-N 426.517 2.287 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1539626227 BVOHMBPSUXSTGL-UYAOXDASSA-N 427.553 2.012 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1539871764 SOHFAVSBZDQBKI-KRWDZBQOSA-N 440.539 2.175 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1540443344 WTBOPFIYRYSUHN-UHFFFAOYSA-N 446.481 2.382 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@](C)(OC)C1 1540904306 LUELDRUSRZWGSQ-LJQANCHMSA-N 439.607 2.240 30 10 IEEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540916550 YGVLHORKZKWJGW-UHFFFAOYSA-N 427.578 2.285 30 10 IEEE CC(=O)NCCCn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1541096478 XHPNDVCTKNRTRU-BHYGNILZSA-N 433.557 2.313 30 10 IEEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)n1 1542867121 GJROOOKTUFEHLV-CQSZACIVSA-N 430.559 2.499 30 10 IEEE CN1CCN(C(=O)N2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)CC1 1542960578 CSSDIPWKWOSURA-UHFFFAOYSA-N 447.539 2.262 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 1543702161 DBMPWHCXLOORAD-FQEVSTJZSA-N 436.508 2.423 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1545661499 AUYGCXKYMPLWCS-IBGZPJMESA-N 425.581 2.315 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1552710612 UFMPHPBXRXTVJY-UHFFFAOYSA-N 444.543 2.319 30 10 IEEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 1556642926 AWPXHDIHHSOELP-FOIQADDNSA-N 439.871 2.260 30 10 IEEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OC 1558384034 SUIIDGZUPTVWQE-MGPUTAFESA-N 439.871 2.260 30 10 IEEE Cc1nc(C#N)n(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1C 1559446677 KCKWBJHUOKBMLV-SXGWCWSVSA-N 427.461 2.363 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1565005354 QKWHYAOGNFTQOB-UHFFFAOYSA-N 447.605 2.072 30 10 IEEE COCCN(CC#N)C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1570083098 MYROWRBNMJFUDQ-AWEZNQCLSA-N 426.286 2.439 30 10 IEEE C#CCO[C@@H](C)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1583836521 GJFVRMYSQLYMDZ-NOLJZWGESA-N 430.398 2.236 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4CC[C@@H](C(F)(F)F)NC4=O)CC3)n[nH]2)cc1 1583847907 IBZMYTQIRBJCQS-RDJZCZTQSA-N 446.433 2.054 30 10 IEEE C=CC[C@]1(C(=O)NCC2(N3CCOCC3)CCOCC2)CCCN1C(=O)OC(C)(C)C 1584532360 PMAMIGAFAHQFGE-HSZRJFAPSA-N 437.581 2.330 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1585394540 XMEIYWFMFJNHEA-UHFFFAOYSA-N 433.555 2.232 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1586079757 YWKMBWBAWMQUCF-LJQANCHMSA-N 441.532 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)NC(C)C)cc1 1588073737 CQGHCIMZEGHHEG-UHFFFAOYSA-N 435.532 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCOC1 1588105173 OCKGIELWMDRQGH-FQEVSTJZSA-N 429.318 2.240 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Br)s1 1588128998 WJQUOAKANRQJOY-CQSZACIVSA-N 432.347 2.369 30 10 IEEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1 1589117351 YRBFRZIFSATHTM-UHFFFAOYSA-N 440.356 2.467 30 10 IEEE Cc1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1S(=O)(=O)NCC#N 1593777937 HGXBBKIANPGPIU-UHFFFAOYSA-N 447.366 2.495 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1593844673 DZFIABMPWMBMPF-MRXNPFEDSA-N 435.912 2.056 30 10 IEEE C=CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594767571 VDTJWMQBWPEMKM-FXAWDEMLSA-N 426.583 2.298 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595901603 ZQBQKSXPAGSYTG-MRXNPFEDSA-N 445.545 2.426 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1F 1597469060 XNXNWNCFWSXVCN-INIZCTEOSA-N 446.460 2.323 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1Cc1ccc(C#N)o1 1613533433 JBTNEUMMHXTNDH-INIZCTEOSA-N 441.536 2.014 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1618031269 GANQAERVDFZOTP-GOSISDBHSA-N 426.502 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC(OCCO)CC1 1623164505 FQMNLZBYRYCQRK-HXUWFJFHSA-N 429.517 2.392 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1623821726 OINMHGRNFOOEFD-LJQANCHMSA-N 449.548 2.440 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCN(O)C1=O)c1ccc(Br)cc1 1628370468 SONSWXWAVOYDAK-STQMWFEESA-N 428.283 2.121 30 10 IEEE COC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(OC)c1 1628735050 CWFILJLWCVGDEE-GOSISDBHSA-N 431.514 2.018 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cn1 1635453645 SYMKATRHZDGWHU-IBGZPJMESA-N 438.507 2.068 30 10 IEEE CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1636557931 AJAYPYXZENWBHK-UHFFFAOYSA-N 437.525 2.464 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N3CC[C@@](F)(C#N)C3)c2C(F)F)C1 1638649332 FTTKXXMUANGFBN-ADLMAVQZSA-N 428.415 2.475 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(CCc3ccc(OC)cc3)C2=O)c1 1640743397 ZCAORJGMTISNRK-DEOSSOPVSA-N 448.479 2.268 30 10 IEEE C#CC[C@@]1(C(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)CCCN1C(=O)OC(C)(C)C 1643809805 SIQJWPIMMWGSDI-XZOQPEGZSA-N 427.501 2.126 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCC(C#N)(c4ccccn4)CC3)OC2=O)C1 1645422541 ZBJSKFPRGDVWCX-QGZVFWFLSA-N 426.517 2.491 30 10 IEEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H](C)C[C@H]1C 1648936580 GWMRRRWQRWPGTH-OAFZBRQQSA-N 435.546 2.235 30 10 IEEE Cc1nc(O)c(Br)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651223531 JDBDEUCMDXQXLX-UHFFFAOYSA-N 434.246 2.376 30 10 IEEE N#Cc1cccc([C@@H](O)CN2CCNC(=O)[C@@H]2c2ccc(I)cc2)c1 1656363571 FHIBMOQRCQTDGM-ROUUACIJSA-N 447.276 2.369 30 10 IEEE C=CCN(C[C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1658452803 JNAFKPHCOVWCIP-MJGOQNOKSA-N 440.610 2.087 30 10 IEEE C#C[C@@H]1COCCN1C(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 1679161106 JAUSLTICQZKOID-GOSISDBHSA-N 429.498 2.040 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1683173096 MBDBUHDFSMMPJE-IBGZPJMESA-N 432.521 2.352 30 10 IEEE CS(=O)(=O)CC1(CCNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 1683971838 WGZAYAHXZLDZPC-UHFFFAOYSA-N 432.546 2.133 30 10 IEEE C#CCOc1ccccc1CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1684570410 RBSUKEPYGVBHLO-OAHLLOKOSA-N 429.274 2.219 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(C)C)c1 1689870729 YLWHOKPLAXKISN-IBGZPJMESA-N 438.532 2.101 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1689914869 HOYRZEPUJSIQLP-LJQANCHMSA-N 433.516 2.090 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689984403 OSFPKVCFBVGNPG-RBUKOAKNSA-N 434.537 2.119 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689992733 OIGSIFHERNYMNI-LJQANCHMSA-N 432.594 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1690041684 DJMUQFLGZSGGNO-FQEVSTJZSA-N 441.539 2.471 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690203310 XVCFFTZTGLXOOS-XCGNWRKASA-N 430.553 2.477 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1690232265 FQYUNHYABCXSTB-ZDUSSCGKSA-N 447.337 2.456 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC)C(=O)C1 1690306352 UDYKJJANRSUBGA-UHFFFAOYSA-N 427.505 2.325 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1690673480 WOAMEABMCLHBDR-LJQANCHMSA-N 447.967 2.455 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690750938 ROFHGYBEIZPEMB-OAQYLSRUSA-N 426.546 2.350 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)C1 1692846969 UGKTVWWDVYZYQB-QHCPKHFHSA-N 444.580 2.364 30 10 IEEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1695706548 FKGALUHQTLEEBU-UHFFFAOYSA-N 443.573 2.383 30 10 IEEE COCC(C)(C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1697731944 SGQPTKSUSCQNSS-CVDCTZTESA-N 446.596 2.168 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1O 1698440826 RGPDDUYOQWXXTF-QAPCUYQASA-N 431.562 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1705495751 UUXGCZLNFZIQBN-NQIIRXRSSA-N 441.601 2.087 30 10 IEEE C#CCCCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1705522235 YYQDSYDTNMVCRO-IMSXRSKXSA-N 445.608 2.281 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1705549719 FVEUGIROXJXCFU-UHFFFAOYSA-N 430.516 2.340 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OCCN(C)C 1705549948 OAPIEEPWERPTBT-UHFFFAOYSA-N 436.516 2.064 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1705610723 AUTINMHYOMTPIB-UHFFFAOYSA-N 445.531 2.365 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)CC1 1705782362 VPTDXQBQVSQIIW-OAHLLOKOSA-N 433.525 2.059 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1705844206 XTFSBEFBLFLFJK-HZPDHXFCSA-N 447.552 2.449 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOCC2(C)C)CCOC1 1706069280 ZTAMGWBZBZGVGR-GCJKJVERSA-N 434.585 2.025 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H]1C 1706072623 GEASKRWULKFCTD-IAGOWNOFSA-N 444.609 2.318 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C[C@H](C)O1 1712302805 AULNUOZUBZONRG-YYWHXJBOSA-N 439.516 2.314 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722331680 OUYSVEFXNJJLNF-LJQANCHMSA-N 435.576 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1C 1722375051 JDGIDFHXPPZTGY-HKUYNNGSSA-N 426.542 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CC(C)C)CC2)CC1 1722447709 MVFNZVGHESMUAH-GOSISDBHSA-N 426.565 2.021 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722542483 BQNKNIHEZCBWBI-MOPGFXCFSA-N 441.020 2.359 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722607840 LFFUHGUKGOLIGA-FQEVSTJZSA-N 426.565 2.238 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1722627713 MZFOONXUCNIHLZ-SFHVURJKSA-N 444.511 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722697508 MQFICUPYIMPWPH-GFCCVEGCSA-N 440.426 2.087 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1722719427 UBTZLDCXYBKUKQ-CVEARBPZSA-N 437.953 2.058 30 10 IEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1723249438 HCMIBMNTASLAHD-GCJKJVERSA-N 438.532 2.116 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H](C)O1 1726672243 QCFWTLPSLWJGRH-HZPDHXFCSA-N 429.546 2.255 30 10 IEEE CCCNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1728192638 FDHVPZBWMQISKD-OAQYLSRUSA-N 443.577 2.316 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1730998003 GAYPSWDKZQMRKW-GOSISDBHSA-N 426.477 2.022 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1740608281 NKNVGQHVJCVCDL-VGOFRKELSA-N 433.553 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccsc2)CC1 1740702192 JIYXDGYADMKAHU-MRXNPFEDSA-N 431.562 2.078 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740739772 ZUTGXTKGUDNQGM-MPGHIAIKSA-N 445.358 2.295 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCOC2)C1 1740751768 OLBXNLDEORXSLC-LTMIRXACSA-N 447.580 2.173 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1740769527 NYCZHJQLEVHQMU-UHFFFAOYSA-N 429.550 2.411 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740792857 BCCDDIMZFPKIDC-IBGZPJMESA-N 446.621 2.385 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1(=O)=O 1740934661 NHLQQKDORVUGGU-GOSISDBHSA-N 449.577 2.212 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1740952276 YQJCDYHRKOGDRT-CVEARBPZSA-N 445.495 2.249 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1740990749 FCRSZXGGURHLTF-UHFFFAOYSA-N 439.626 2.084 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCNC(=O)C(C)C)CC1 1748994027 UJLGFQQPIOYWPM-UHFFFAOYSA-N 447.587 2.268 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749043174 FMTBSMAAKAOFGV-IBGZPJMESA-N 432.615 2.443 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1749398968 XJYZTVGXJDVEOH-UHFFFAOYSA-N 435.532 2.217 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](COc2ccccc2)C1 1749676283 KUFDMSJCZFMRER-HXUWFJFHSA-N 432.528 2.471 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)CN2CCOCC2)C1 1749714416 JNXYJGVHBVONFP-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749723683 ASJFMOLOWSTWND-HXUWFJFHSA-N 445.589 2.213 30 10 IEEE Cc1ncsc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1751357373 LHNOTEHSDHPIMO-ZDUSSCGKSA-N 432.531 2.095 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1760120290 KIHIOENWNHEKJM-SFHVURJKSA-N 449.559 2.113 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H](C)C1CCC1 1760137463 KJKOBQUOXNMZKE-PKOBYXMFSA-N 437.610 2.429 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760177894 QWCSTMRSRJHDHE-IBGZPJMESA-N 425.533 2.038 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760186039 JLQPRJUGTNNIAC-LJQANCHMSA-N 446.621 2.397 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ncccc1F 1760195483 COBDBNIKLFOJEF-JOCHJYFZSA-N 427.480 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)nc1 1760221349 SJLDVWAIDCKQQX-UHFFFAOYSA-N 425.496 2.431 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1760246742 BBRHJYKULBTKPW-LJQANCHMSA-N 430.574 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1760778004 FGZOZQXSBPSKOS-BRWVUGGUSA-N 432.525 2.258 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)NC1CCCCC1 1763112737 YALDFQFUWGJZCH-UHFFFAOYSA-N 436.564 2.273 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1(C)C 1763266891 IKWPBGTZWMHGEM-FFZOFVMBSA-N 441.532 2.272 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1764888949 DZLMPLCBEKDEJG-UHFFFAOYSA-N 435.454 2.107 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1767688919 AOKSTOKMWFDSTD-QUENFVSXSA-N 445.495 2.334 30 10 IEEE COC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1767973678 BIXPXCKKYSQCGY-INIZCTEOSA-N 433.520 2.142 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1768335934 MHQPNWRVNSEZOT-DDZAJARCSA-N 442.589 2.170 30 10 IEEE COCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769675823 PVLKUBIOZNOQRJ-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)c1 1769689654 NFROVCRUUFSFCG-MRXNPFEDSA-N 426.521 2.479 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccccn1 1772660199 WWFWODSHMXVRNG-UHFFFAOYSA-N 441.513 2.306 30 10 IEEE COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccc(C#N)cc2)CC1 1850986178 VNIVTAKEMCOJCF-JOCHJYFZSA-N 432.524 2.449 30 10 IEEE CN1CCN(c2cc(Br)nc3c2N(C(=O)c2ccc(C#N)cn2)CCC3)CC1 1852040482 SAESSDFCDPJDOD-UHFFFAOYSA-N 441.333 2.456 30 10 IEEE N#Cc1ccc(OC[C@@H](CS(=O)(=O)c2ccccc2)OCC(=O)N2CCCC2)cc1 1852127104 XEHLYPBKYORCIK-FQEVSTJZSA-N 428.510 2.419 30 10 IEEE C#CCCN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 1852437694 CGNFDXWECALOGM-UHFFFAOYSA-N 429.517 2.189 30 10 IEEE CC(=O)N1CCN(CC(=O)N(C(=S)N=CN(C)C)c2cc(Cl)cc(Cl)c2)CC1 1852572881 CVJROQYZHOWMEG-UHFFFAOYSA-N 444.388 2.365 30 10 IEEE Cc1nnc2c(N3CC[C@@H](N(Cc4ccc(-n5ccnc5)cc4)C(=O)CC#N)C3)nccn12 1853470894 RBQAPCGKQXGLCR-HXUWFJFHSA-N 441.499 2.140 30 10 IEEE COc1cccc2c1C[C@H](C(=O)O[C@@H]1CON(S(=O)(=O)c3ccc(C#N)cc3)C1)CC2 1853621483 QBHNTJMVQZLDHJ-MSOLQXFVSA-N 442.493 2.220 30 10 IEEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)C2)ccn1 1853666798 KIMHQSCXGALQMS-INIZCTEOSA-N 441.387 2.275 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cn(C[C@@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)s1 1853691919 UEKNANIBLJWTIC-HNNXBMFYSA-N 427.530 2.258 30 10 IEEE CCOC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)c3ccccn23)CC1 1858244404 JFLZNBYOFXJOAW-UHFFFAOYSA-N 446.467 2.373 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2C(=O)O)cc1 1862691921 YRXNXFGMPIOFKG-LJQANCHMSA-N 438.436 2.108 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(CCC)nn2C 1864320438 RZWOLZJGCBECGA-KBXCAEBGSA-N 426.517 2.129 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870395113 FTCKOIZXCUONPT-OALUTQOASA-N 425.529 2.339 30 10 IEEE N#Cc1ccccc1NC1=C(c2cc(F)cc(F)c2)C(=O)N(CCN2CCOCC2)C1=O 1873317512 ABHJQPITQLFYJA-UHFFFAOYSA-N 438.434 2.361 30 10 IEEE COc1cc(/C=N/n2cnnc2SCC(=O)NCc2ccco2)cc(OC)c1OC 1874537491 GWQNVNADCQAQMF-LSFURLLWSA-N 431.474 2.188 30 10 IEEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCC#CCN1CCc2ccccc2C1 1890474697 DRBTVZWUPDIULY-UHFFFAOYSA-N 446.482 2.172 30 10 IEEE C=CCN(CCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1)C(=O)OC(C)(C)C 1985017311 KZCSZGBHEPGHMT-JKSUJKDBSA-N 427.542 2.286 30 10 IEEE CC1(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2077045748 BQBHZQNRMHJLDH-UHFFFAOYSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2081460006 LHNPQIQQEVAPTA-QFIPXVFZSA-N 436.358 2.430 30 10 IEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247925918 JRIREOPQDIRNSG-SSEXGKCCSA-N 442.343 2.342 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248439547 ANKAPFCWGZLOSZ-HNNXBMFYSA-N 440.371 2.203 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCC1 2255626324 DZZMORCAUFFXPI-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830210 BPEAEMCFYBNDTD-ZIAGYGMSSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)[C@@H](O)C(C)(C)C 2258957513 AJOLXZYARYBOIY-JKSUJKDBSA-N 438.374 2.428 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267137951 QXKVUGUDKJQARZ-GASCZTMLSA-N 448.373 2.143 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267163835 ZPALVNYZIUMMQG-CABCVRRESA-N 446.357 2.151 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(Cc2ccccc2)C1 2267193563 HHWZJBCXFPKRKH-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267560376 BXDHHBRTIDKCPI-INIZCTEOSA-N 449.357 2.070 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)O 2269076365 UFETYAKRGCUXBD-DNVCBOLYSA-N 442.321 2.113 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274224488 RWAGACWKRWTMEM-OAHLLOKOSA-N 448.373 2.426 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2283069910 UAGPXRQKMNLVSK-PMACEKPBSA-N 448.376 2.370 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)C1 2296284085 NDILYUDBWKUAPS-BPQIPLTHSA-N 439.350 2.372 30 10 IEEE CCc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1 2330748454 QHYIPIQIKJPBGW-UHFFFAOYSA-N 440.529 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2336903430 QJIJMWLAXJDHQA-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE Cn1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2352396943 DQNYIMYIYQQIBH-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE C#CCOC[C@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364184666 PXYVDRISCMAYKI-GOSISDBHSA-N 432.542 2.287 30 10 IEEE C=CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2c(OC)ccc(OC)c21 13789492 IARSNHYCMFNTEX-FMQUCBEESA-N 439.559 2.005 30 10 IEEE Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 33386007 INBUOJHPOYTWNT-YVLHZVERSA-N 445.614 2.174 30 10 IEEE C=CCn1c(=O)c(N2CCC(NC(=O)NCCc3ccccc3)CC2)nc2cccnc21 96333369 VLALXBPLIVZHSU-UHFFFAOYSA-N 432.528 2.488 30 10 IEEE O=C1NCCN1c1ccc(C#CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 96353219 SJJLNLCNPUSDJR-UHFFFAOYSA-N 439.415 2.445 30 10 IEEE CCN1CC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)[C@@H]1c1ccc(Cl)c(F)c1 409481804 BTXCAKRNOQMHMI-MSOLQXFVSA-N 432.949 2.311 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)O)c(I)c2)cc1C#N 427265770 FGGAUIMHNYUCAW-UHFFFAOYSA-N 443.222 2.365 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](CC)Oc2ccccc2C(F)(F)F)CC1 440338417 ISCDAGLEUZJXLO-MRXNPFEDSA-N 442.482 2.492 30 10 IEEE CN(C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 497981738 JWVZMVYPGNZQLW-UHFFFAOYSA-N 440.997 2.316 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](Cc3ccccc3OC)C(=O)OC)cc2C1=O 502373058 ZZUQSUWZLGNNFU-KRWDZBQOSA-N 436.464 2.239 30 10 IEEE COC(=O)c1ccc(C=c2sc(=CC(=O)C3CC3)n(Cc3ccccc3C#N)c2=O)cc1 502463776 BGMQQEYSZQUTOX-UHFFFAOYSA-N 444.512 2.205 30 10 IEEE Cc1nc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)sc1SCC#N 504685544 XKIXUFIHLDHUMG-INIZCTEOSA-N 441.538 2.481 30 10 IEEE COc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc(OC)c1OCC(N)=O 504696611 ZFPFVAOOGCQBES-UHFFFAOYSA-N 439.468 2.123 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508795228 NGJUXLVVRJRQRD-UHFFFAOYSA-N 428.585 2.055 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 512323054 ZCLLPJQATRRQIA-UHFFFAOYSA-N 431.518 2.088 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(C)ccc3F)c2=O)cn1 573879907 SSWDTEPOSWJYPX-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)no2)CC1 583072577 VKNAVRADIZQHIE-UHFFFAOYSA-N 436.520 2.257 30 10 IEEE COc1ccc(C2(C(=O)NCC3CCN(c4nccnc4C#N)CC3)CCOCC2)cc1 585227201 QZBHYQPOKCZIIG-UHFFFAOYSA-N 435.528 2.438 30 10 IEEE CSCC[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1nnc2ccccn12 603802657 QWOMRLXCAGTFLR-KRWDZBQOSA-N 436.545 2.322 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cc1 604001341 BAIKFKRJTDVGIK-UHFFFAOYSA-N 428.517 2.107 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 610982343 OLQUMLSYOWAHMZ-CAMMJAKZSA-N 439.468 2.002 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1-c1ccccc1C 619538984 VMOWCOFXFLXERX-UHFFFAOYSA-N 439.924 2.119 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669808715 CJGASRAQSFMGRV-FHWLQOOXSA-N 431.562 2.227 30 10 IEEE COc1cccc(-c2nsc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n2)c1 728308665 RJMMOSBUGQRKQC-UHFFFAOYSA-N 443.510 2.281 30 10 IEEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)NC(C)=O)cc1 730407276 GJDXZLIQWNRCOZ-GOSISDBHSA-N 435.889 2.293 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@H]1CCCO1 736587144 KWXCNFBKROWHEW-SWLSCSKDSA-N 431.583 2.280 30 10 IEEE C[C@H](CC(=O)NCc1ccc(CN2CCCC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742488489 CEPFJGRZZUEFOW-QGZVFWFLSA-N 440.569 2.416 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)c4cc(Br)ccc43)CC2)n1 760551408 LWFKXGHOVBGGSD-UHFFFAOYSA-N 426.274 2.025 30 10 IEEE N#Cc1cccc(N2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 760604160 CEVCMIMURKCFMU-UHFFFAOYSA-N 441.391 2.482 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 774353811 ZYKRLSPMVOEAQU-KRWDZBQOSA-N 443.504 2.330 30 10 IEEE Cc1cc(C)cc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c1 782617504 FAMYVIXQXCCKEO-UHFFFAOYSA-N 440.326 2.039 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 789322184 BPFJDZDRNRKHOF-QZGUCNERSA-N 441.576 2.148 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 790677972 JRTSHPORZKEZTN-MBSDFSHPSA-N 425.485 2.095 30 10 IEEE N#Cc1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1F 791242606 WMUCBVQFNUQXKC-QAPCUYQASA-N 438.864 2.218 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 800167629 OXTPCQZLHBBGCW-SJLPKXTDSA-N 437.566 2.402 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 809921934 QIYNAAOKABYLLN-KURKYZTESA-N 432.569 2.445 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cccnc3C#N)CC2)cc1 813163667 LSCBDOSLURLAHO-UHFFFAOYSA-N 429.498 2.496 30 10 IEEE C[C@@H](OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)N(CCC#N)c1ccccc1 917243549 ZYQSBHVBZZOBJH-QGZVFWFLSA-N 440.500 2.462 30 10 IEEE C[C@@H]1CCC[C@H](CNC(=O)C2CC3(C2)C[C@@H](NC(=O)C#CC2CC2)CCS3(=O)=O)C1 952876180 DUVBHHDVMMIWEQ-YEOLZPLNSA-N 434.602 2.185 30 10 IEEE CCCC(C)=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1084168438 HHZYCJRMTOZRIC-UHFFFAOYSA-N 425.540 2.161 30 10 IEEE N#C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc(OC(F)(F)F)cc1 1127687379 QTVKPCJNQVCVLE-HOTGVXAUSA-N 432.358 2.407 30 10 IEEE C#C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Br)cc1 1129610105 FFMVJLUNIFNAKD-WBVHZDCISA-N 426.270 2.380 30 10 IEEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)O1 1133997025 ODLUIVJYRYSUHR-BWAGFHJFSA-N 431.508 2.335 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1142748683 FUUPPRQVAAJBSI-INIZCTEOSA-N 444.960 2.055 30 10 IEEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1153275759 ALAKVBDWHMJRAG-BYPYZUCNSA-N 435.218 2.120 30 10 IEEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)NCCOc3ccccc3)ccc2Cl)C1 1153615846 GJUSQGDEABCMDZ-UHFFFAOYSA-N 436.892 2.495 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1165508692 UFSWTSBZYYPGIK-QFIPXVFZSA-N 435.521 2.336 30 10 IEEE N#Cc1cn(C2CN(C(=O)CCc3cc(Cl)ccc3Br)C2)c(=O)nc1O 1181000849 QZOWXTZLQNTYBO-UHFFFAOYSA-N 437.681 2.253 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1226111383 ILMKMUUJHQQHGF-FQEVSTJZSA-N 448.479 2.444 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1235722735 AAQJOICBCWCIBO-GJZGRUSLSA-N 438.491 2.096 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)C1 1261205065 NZZKFLWGXBGAMV-VPKNDNEBSA-N 432.520 2.269 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286395332 ZXIZMKAXKZJCKU-MSOLQXFVSA-N 436.603 2.228 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CC)c1 1286430650 IPBPFMWQALIAFM-UHFFFAOYSA-N 443.559 2.180 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(C)c1 1286455590 XEDITVDADUTVED-QHCPKHFHSA-N 438.507 2.491 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286549694 YMHQGVDGRHVNGX-PKOBYXMFSA-N 439.564 2.203 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286559757 AHLHKCUNPXKUGG-QFBILLFUSA-N 448.593 2.063 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1286718471 KWPAPAIVRJLNKY-UHFFFAOYSA-N 431.562 2.373 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286756853 YBFLVQZQKDGYDX-IEBWSBKVSA-N 437.548 2.076 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1286790130 NZNZVIVFMGJSOL-UHFFFAOYSA-N 433.560 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(N(C)C)CCSC2)C1 1286813377 ZPMUBRJQWWNTJT-KNQAVFIVSA-N 428.606 2.483 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1 1286878250 XCCGPJMWPMKPRI-UHFFFAOYSA-N 430.516 2.382 30 10 IEEE CCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)s1 1292555617 GTUUMOZHOAKCEH-OAHLLOKOSA-N 437.591 2.219 30 10 IEEE CCOC(=O)CON=C(C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1cc[nH]n1 1296025772 UNBVXJYBPHCVOF-UHFFFAOYSA-N 443.287 2.021 30 10 IEEE COC[C@]1(C(=O)N2CCC(C#N)(c3ccccn3)CC2)CN(C(=O)OC(C)(C)C)CCO1 1296993721 BYRFENHAJRSZNF-QHCPKHFHSA-N 444.532 2.118 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1297777600 NHRJOJONNBFKMY-MRXNPFEDSA-N 438.504 2.238 30 10 IEEE Cn1cc(C[C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C2)cn1 1298826663 PXFPXGHRCQZSOF-IBGZPJMESA-N 435.532 2.018 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1300310079 WPFIBCUNDIDBCA-OCCSQVGLSA-N 427.452 2.100 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)c1 1300369468 FLMHSHOBRLFURU-JTSKRJEESA-N 428.512 2.364 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCCS(C)(=O)=O 1300381865 JWEDZMBMHTYYBV-UHFFFAOYSA-N 431.562 2.432 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@]2(O)CCC[C@@H]2C)n1 1300681435 PEQNBBUQJKVHOU-YADARESESA-N 449.559 2.374 30 10 IEEE CO[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1300773488 GIVQLLDFISYWEM-QBEKEKFNSA-N 428.537 2.152 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1301219224 BAONKJJRJAUWEN-UHFFFAOYSA-N 435.488 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 1301586130 DMRPQZYRBJSEBQ-LJQANCHMSA-N 445.589 2.118 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1302225559 UXOQMUBIFZXEDF-IUKKYPGJSA-N 441.532 2.252 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1F 1303735143 AWBGBPZNBHLVQS-YCRPNKLZSA-N 430.459 2.449 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1303944266 OXKFQBRXXUVOMU-HNNXBMFYSA-N 427.534 2.049 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1304083271 HJLSFZXOOYHVTL-XUTLUUPISA-N 433.472 2.404 30 10 IEEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cnn1CC(C)C 1304118509 XSJZFITUGAXJRM-RDJZCZTQSA-N 433.582 2.128 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H](C)S1 1305151436 WYJURNGUSWYPQR-GJZGRUSLSA-N 434.591 2.086 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)Cc1ccccc1 1305790107 HQEHNEMPAJLNBP-FQEVSTJZSA-N 439.564 2.057 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1307959017 JTGAZWORHZCNAB-HZPDHXFCSA-N 449.518 2.066 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1314080167 DKIZTTVYNMVUFJ-UZUQRXQVSA-N 440.548 2.276 30 10 IEEE CN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1314749743 SCXAOPWJHOIYCX-FCQUAONHSA-N 443.511 2.427 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCC(F)(F)F)CCO1 1316537925 GFNSUGAAUVSYJS-CYBMUJFWSA-N 434.378 2.099 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCN2CCOCC2)CCO1 1316540979 PXTSBBZRSWKIMI-HXUWFJFHSA-N 444.967 2.363 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc(S(C)(=O)=O)ncc1C 1354295252 OGJHPCCQCSYKAQ-UHFFFAOYSA-N 440.275 2.441 30 10 IEEE C=C(C)CCC(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1356496381 JREWQPGZGQCZBU-UHFFFAOYSA-N 439.353 2.470 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1358885089 CORTXJNNLQELEF-ZIAGYGMSSA-N 428.443 2.074 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCC[C@@H]2C)CC1 1359039728 SYYRKGDQXOHJRY-PWRODBHTSA-N 428.625 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1359044478 HDNOMIMPNGVYEO-CTNGQTDRSA-N 442.608 2.012 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1359070710 SJCZLQHWNYNEFB-PGRDOPGGSA-N 433.622 2.294 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359083193 DFMMDIPLHRBWNJ-ZIAGYGMSSA-N 433.372 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(C)C)C1 1359327104 SBNKLVWLVYUXEF-KRWDZBQOSA-N 446.577 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCCOC1 1359335623 QDIUZCDRYSACJO-HIFRSBDPSA-N 442.492 2.293 30 10 IEEE CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1443909632 AWQNKOCUCCHTNW-KBXCAEBGSA-N 435.546 2.332 30 10 IEEE C=CCC[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OCC 1449724482 FKMNPPDUXMFNAL-QGZVFWFLSA-N 445.520 2.424 30 10 IEEE Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 1452799279 GIMUDVCPJWFQBS-ZDUSSCGKSA-N 427.461 2.497 30 10 IEEE C#C[C@@](C)(CC)NCC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1460131002 LRIBLSPSNFERQS-CAVPUYEOSA-N 445.541 2.248 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1460780879 JUMLNFMKGABGGI-MUIFIZLQSA-N 435.274 2.115 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618758 GYPVKTIPQQTBSI-UHFFFAOYSA-N 443.460 2.285 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1nccc(C(F)(F)F)n1 1492901089 FNRSQQBZBPJNDB-UHFFFAOYSA-N 443.437 2.231 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OCCO)c(OC)c1 1503074620 FNCXIUPBEZEHRS-JOCHJYFZSA-N 429.521 2.373 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507589512 LSHNPCIGGPJELZ-IBGZPJMESA-N 440.573 2.334 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1507593466 PLWNPWHJUIVICS-HXUWFJFHSA-N 448.571 2.460 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1507698682 PESUIISIZZFZGR-UHFFFAOYSA-N 425.533 2.190 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2CCOC2)CC1 1507735591 YWGNHLLWBHZZIR-MRXNPFEDSA-N 442.951 2.386 30 10 IEEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1507835268 SCKDQNWGPYJJEB-YYDVJCTNSA-N 449.596 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCCCC1 1508081303 WUZMPHBWIJLSPS-UHFFFAOYSA-N 445.593 2.309 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCCO[C@@H](C)C1 1508092584 CXEWHNAGUIPLNG-KRWDZBQOSA-N 429.521 2.173 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1514263340 GUZOCSIKJNBNGM-WIYYLYMNSA-N 431.562 2.239 30 10 IEEE C#CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)c1nccs1 1515867027 WAWXOMSJGSFWSA-UHFFFAOYSA-N 428.333 2.436 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)CC2=O)cn1 1532530221 TUGSFFFPXVWGAN-MRXNPFEDSA-N 434.418 2.069 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1539538065 BEABWRQJOMPQPU-KGVIQGDOSA-N 444.605 2.405 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1539542229 WMIZGNXHPOLUDW-UEVCKROQSA-N 431.581 2.032 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1539557095 LLJMOUBATAEIBJ-PGRDOPGGSA-N 428.558 2.420 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1540872485 QVJZRPQRKHLONR-UHFFFAOYSA-N 441.429 2.204 30 10 IEEE CC(C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541250066 FZZHAWUFHGOMAM-UHFFFAOYSA-N 431.544 2.427 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 1542323714 LPUTUDXHJDRFMB-UHFFFAOYSA-N 439.537 2.124 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1554431386 WQRKMQWIAPTSRL-IBGZPJMESA-N 436.516 2.038 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1555637460 RWEVHYNHYBMBBP-MRVZAQDFSA-N 449.552 2.371 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)NC(=O)OC(C)(C)C 1555950671 QKHAKKZXLONRGE-OLMNPRSZSA-N 440.504 2.291 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)Nc3ccc(C#N)cn3)C2)nn1 1563124281 DLZWOQPHMGSXAP-INIZCTEOSA-N 426.481 2.438 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CCCOC1 1564544311 GXIIHWJGBAZIHX-JOCHJYFZSA-N 425.489 2.118 30 10 IEEE C=C(C)CONC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1583435004 MSUJTBUUHUNFQU-UHFFFAOYSA-N 429.542 2.431 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cn(C)nc2I)c(C#N)cn1CC 1584133162 RQBCIMQFGQQPSL-UHFFFAOYSA-N 441.229 2.147 30 10 IEEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 1585302979 MKNAGLFDXMKQOI-JKSUJKDBSA-N 436.365 2.199 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1587497052 XILHYLXEOHJNLR-DYXWJJEUSA-N 433.430 2.206 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1587621247 QBIPNKJVHLNNIQ-HNNXBMFYSA-N 426.521 2.112 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588040568 ONYVUEKGIGCOBU-LJQANCHMSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)C1CCCCC1 1588089376 KDSQEVZESCGZPI-DEOSSOPVSA-N 441.576 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC1CCS(=O)(=O)CC1 1588117751 PLWAPWGGGKVFST-UHFFFAOYSA-N 433.537 2.391 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)c1ccc(OC)cc1 1588138275 BNIHMGHNSDCVQE-AZUAARDMSA-N 440.569 2.455 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(F)(F)C2)CC1 1588732597 DFMGQEFMRRCTSB-INIZCTEOSA-N 429.475 2.116 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1589548275 YKIIXYNFKGZVNK-BZSNNMDCSA-N 440.610 2.413 30 10 IEEE C=C(C)Cn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1593683744 PTPLYYHOZJSLAC-SIKLNZKXSA-N 430.553 2.225 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593757855 PBOWQXKVJMWOLL-GOSISDBHSA-N 442.568 2.135 30 10 IEEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)S(=O)(=O)CC)CC1 1594246866 AZDVRVHISHMNEI-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595551845 WNURXBIZCIRRBE-UHFFFAOYSA-N 430.597 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1595798641 ROVMCVMGKPYIFI-AWEZNQCLSA-N 444.479 2.437 30 10 IEEE CCN1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1615869524 GNQJXTVLODVBMQ-NFFVOIMASA-N 441.580 2.068 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1619962856 OCMBVHAREAHBIP-UHFFFAOYSA-N 428.537 2.359 30 10 IEEE COCCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1 1620038871 GCIPHJVSKDWWHD-NRFANRHFSA-N 425.468 2.194 30 10 IEEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1620165619 FMXOJROWEJOCDN-HXUWFJFHSA-N 441.557 2.382 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c1N 1623696565 DBIDPWCLZBLDKN-APWZRJJASA-N 431.374 2.076 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1623730067 GWYJWQUBHCUSFS-QUCCMNQESA-N 437.393 2.157 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2nscc2I)c1 1625080726 AKAILQGZTFFICF-UHFFFAOYSA-N 425.251 2.440 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)Nc3ccc(C4CC4)c(C#N)c3)cc2S1(=O)=O 1625097175 YZWXFIOIIGTOPS-UHFFFAOYSA-N 425.466 2.479 30 10 IEEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCO2 1627500033 FYPQGZSUGHYAFI-ZLGUVYLKSA-N 425.526 2.392 30 10 IEEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1629001161 CQSNAGBAYPKWTR-UHFFFAOYSA-N 430.505 2.001 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(CCO)CCN(C)CC1 1633284208 DWPOKBQEGGCMGO-UHFFFAOYSA-N 440.338 2.061 30 10 IEEE C#C[C@H](NC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)c1ccc(Cl)cc1F 1635191967 SNCIURMMDRQPIP-FUEDEBDSSA-N 430.910 2.059 30 10 IEEE C[C@H]1CN(c2cccc(CN(C)C(=O)C#Cc3ccc4c(c3)OCO4)c2)S(=O)(=O)C1 1635219708 ABPCBONYFPEDQF-INIZCTEOSA-N 426.494 2.211 30 10 IEEE COC(=O)CC1(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 1635313608 CDQNFGBCSSRZAT-UHFFFAOYSA-N 431.338 2.384 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(Cc2ccccc2)CCOCC1 1635532963 HYVJSMAEXFAQJG-UHFFFAOYSA-N 441.553 2.413 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOc2ncccc2C(F)(F)F)s1 1636624246 VXMWFAPHWHTUHG-UHFFFAOYSA-N 449.476 2.364 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C1CCCCC1 1641656738 NIXBYCQXDIUWJC-UHFFFAOYSA-N 431.602 2.404 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 1642499721 BDWQPXKPPSWZJL-UHFFFAOYSA-N 428.411 2.464 30 10 IEEE CCOC(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1644614471 GLJNRMOXQGVRME-IBGZPJMESA-N 436.516 2.465 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N 1649563074 FTAXGPMPBWIEJH-KBPBESRZSA-N 436.358 2.495 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)cc21 1652964380 LTRRRJCEDIOVGQ-OTWHNJEPSA-N 444.557 2.271 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)nc2F)c1 1661488977 CPWWWBKHYLKIOZ-UHFFFAOYSA-N 426.267 2.224 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(CO)CCc3c(OC)cccc32)cc1 1665969195 KXQIZEKGEOZLRB-JOCHJYFZSA-N 445.541 2.457 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1673303828 MSCYZUICUQRSON-PXNSSMCTSA-N 437.562 2.373 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCn1cc(Br)cn1 1689827145 AOEFGJLWHINPFT-UONOGXRCSA-N 425.331 2.119 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1689964819 YQFWEAZXHKLKAM-VGSWGCGISA-N 433.553 2.268 30 10 IEEE C#CCN1CCN(c2nnc(C3CC3)n2CCCCn2cc(Br)cn2)CC1 1690122460 RQADIKUTAKAPKP-UHFFFAOYSA-N 432.370 2.350 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCC[C@@H](C)C2)CC1 1690133449 HHNDWTRLHCSNTD-HXUWFJFHSA-N 440.567 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC(F)F)CC1 1690144034 JZMMWCGJLOJWNA-UHFFFAOYSA-N 432.475 2.244 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1690527278 MMKSBKWKJSHPHA-GOSISDBHSA-N 426.546 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690662037 PCOQAYYIEJKISQ-KRWDZBQOSA-N 444.967 2.059 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2C[C@H]1CO2 1690662679 CLRNOGYGSMSTDB-RYUDHWBXSA-N 438.351 2.439 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CCC2)CC1 1690674842 HGARDKLMBPIQPE-UHFFFAOYSA-N 438.576 2.049 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)O[C@H](C)C2)cc1 1690679876 BRZFIOJFUGFKAY-ZIFCJYIRSA-N 446.573 2.407 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690681482 REIIODNLKGHAKU-FQEVSTJZSA-N 449.559 2.206 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1693869133 ZMFPLUOLJFEIBQ-BTYIYWSLSA-N 426.546 2.149 30 10 IEEE CCc1cnc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)s1 1694562469 YZRNJNPNCOGESV-CYBMUJFWSA-N 446.558 2.348 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1([S@](C)=O)CC1 1694724368 BKPPTGNYHNRRSW-PMERELPUSA-N 426.590 2.336 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(C(F)(F)F)c1 1698171295 POYQQKGTVDNGFC-UKRRQHHQSA-N 440.426 2.193 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1698428866 LFBWOXWLUULQDF-KKSFZXQISA-N 431.562 2.458 30 10 IEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705518012 IZAFGLZQICUZOH-FQEVSTJZSA-N 429.590 2.499 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1705564165 MDQLCNKBMZKGKS-MRXNPFEDSA-N 434.537 2.384 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1705565667 JFJNPBMCEZSEBF-QGZVFWFLSA-N 444.557 2.270 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705571156 WJRUHCJMEZWHSA-QRWLVFNGSA-N 436.965 2.028 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(NC(C)=O)nc1 1705582518 COQANTSINVCQQJ-NRFANRHFSA-N 442.479 2.265 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C 1705603586 QUXGQIOGVWKZAD-QRVBRYPASA-N 428.581 2.462 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1705678636 JURQHLVSJMFWHA-DRMXPCRNSA-N 443.592 2.438 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1705678641 JXWKANJDCSUSIT-HYFFOGBASA-N 440.552 2.333 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705757053 XNWKCNDGLHZBDN-UHFFFAOYSA-N 445.014 2.152 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705872381 VKJVAQYOISQGJZ-SFHVURJKSA-N 434.552 2.358 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705894312 UYLAHMRKKSLEIX-GJZGRUSLSA-N 427.571 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705930695 UAHXRIYAOVEKAX-CABCVRRESA-N 437.532 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705932744 JQIOBPGLKXPWIW-IBGZPJMESA-N 445.589 2.207 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cn[nH]c2)C1 1706177329 ZYGFWKKMCGOJPX-MRUHUIDDSA-N 444.515 2.457 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1706517447 FOAZCLVQGTVECK-FGZHOGPDSA-N 438.576 2.149 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1706744433 MJCOXNKGAHEQCA-ZDUSSCGKSA-N 425.331 2.183 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1706940449 FHQXJRKMZQHJOR-QFIPXVFZSA-N 435.463 2.013 30 10 IEEE CCN(CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1710141071 BANXOGWTORJSKN-NRFANRHFSA-N 445.593 2.450 30 10 IEEE CO[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)C(C)C 1711546462 MYGPBMUSRZDUCT-GDBMZVCRSA-N 437.342 2.446 30 10 IEEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@](C)(C#N)C1 1712171662 NMHNKGJYXMRPEF-YWZLYKJASA-N 449.556 2.353 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1712526406 WSSXYXUDVMMANG-QGZVFWFLSA-N 428.537 2.188 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1712875580 FRVOLPYZZVXVPT-PGRDOPGGSA-N 442.495 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1722276266 HUUJBKDLDXBCCR-GJZGRUSLSA-N 425.468 2.168 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1722290651 YUUNEBQHOMXHSZ-DENIHFKCSA-N 433.560 2.428 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1722395867 SFFZJTGNVRRJIZ-UHFFFAOYSA-N 437.507 2.442 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCc1cnn(C)n1 1722418607 WPDPPYHVRQIPLN-UHFFFAOYSA-N 433.495 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1722425262 SGKZZLWBODSUBF-QGZVFWFLSA-N 441.557 2.480 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1722440067 ZRWITEQMSXZYJS-VXKWHMMOSA-N 435.620 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2=CCCOC2)CC1 1722442896 GYRBHIAIJQWKSX-UHFFFAOYSA-N 435.528 2.266 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ncc(CC)s1 1722449166 RAAAISUQMZELGE-UHFFFAOYSA-N 442.545 2.353 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1722543087 MDIONFGOTLWVMV-OIISXLGYSA-N 434.953 2.384 30 10 IEEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1722622258 KLWOQJFKBHIBPF-SJORKVTESA-N 444.511 2.364 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722696118 BMEQHQAJIYIMRY-QVKFZJNVSA-N 431.924 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2COCCO2)C1 1722713288 CYPOUXKCESFYIL-YLJYHZDGSA-N 430.505 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nncn2CC)C1 1722713699 CJGGJEJAIFPKGA-QGZVFWFLSA-N 439.520 2.403 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722737636 NJINWZJLHDSLLA-QGZVFWFLSA-N 431.610 2.287 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1722861785 CXECCRQGYIRNFI-WFASDCNBSA-N 447.446 2.131 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H](C)S1 1726666149 GRYHACGZJYRRJB-HZPDHXFCSA-N 449.602 2.208 30 10 IEEE CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)c1 1728166439 IFJYUHUUADMPQM-INIZCTEOSA-N 425.537 2.200 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1730046194 LZMDHDCTBOXGCN-CQSZACIVSA-N 429.502 2.336 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730480011 IHWFFRDJMDVBHT-HOCLYGCPSA-N 440.483 2.208 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC[C@@H]2CCCO2)CCO1 1731187571 SLVUJWSLALRAMJ-ROUUACIJSA-N 445.495 2.311 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740624160 CVYSIHKPVQQGMM-IEBWSBKVSA-N 448.589 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@@]1(N2CCOCC2)CCSC1 1740635444 JMSMNVDNCVLYHC-QFIPXVFZSA-N 425.558 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCCS1(=O)=O 1740688232 NTDZGGKBMRGMDM-HXUWFJFHSA-N 446.573 2.219 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1740696116 MLWPYXXILRQTSM-QFIPXVFZSA-N 430.641 2.369 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C#N)o2)CC1 1740697480 GEVMHCDCIGOUGO-UHFFFAOYSA-N 432.484 2.230 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1740795203 PMKCIDLRKSVIEE-ROUUACIJSA-N 426.583 2.024 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740864530 NXNUULFDITZFLI-KSZLIROESA-N 425.599 2.450 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740877499 BUPHNEKADFZWPJ-IBGZPJMESA-N 432.594 2.338 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2cccc(N3CCOCC3)c2)C1 1740984487 CNFILCXWKHHDQT-OAQYLSRUSA-N 427.549 2.481 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1741127666 GKFKXPGWZVTZHB-HUUCEWRRSA-N 431.518 2.094 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1741795887 BWZMYJQBCHTHCK-OAHLLOKOSA-N 441.927 2.282 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCO[C@@H]2CCOC2)n1 1742703398 JJQPTYVHFUNLKK-DENIHFKCSA-N 427.553 2.465 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H](C(F)(F)F)O1 1743243775 DICZWZAZEVKTQC-APHBMKBZSA-N 434.422 2.251 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1745883377 HSBPWMYXEQQADZ-UHFFFAOYSA-N 445.531 2.166 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1747863013 LTSAYDUQMDEABJ-APFMSCDFSA-N 440.479 2.083 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749596387 XEIWEYTZXIJABE-MRXNPFEDSA-N 437.541 2.005 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1749686002 OCOMRGULSCPKNT-QUCCMNQESA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCn2cnnn2)C1 1749699568 BMVBNGOEKFRNNF-MRXNPFEDSA-N 444.927 2.465 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760137432 JUWNISLWSLMYBP-ROUUACIJSA-N 437.610 2.287 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1760188163 MWNSMYTVYCRCQE-BRWVUGGUSA-N 449.602 2.059 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccn(CC)c1=O 1760211379 GKSRTKZMPNFANN-XMMPIXPASA-N 437.544 2.012 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)CC 1760214833 DANBQSXSHOALHO-UHFFFAOYSA-N 437.928 2.140 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](OC)C(C)(C)C)CC1 1760263039 LNRFGEZKVIPVOW-HXUWFJFHSA-N 435.576 2.333 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccsc2)CC1 1760356817 XQMZNRBDVRQGDP-GOSISDBHSA-N 430.578 2.206 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760361080 QVSRTFKYPVPFOP-LSDHHAIUSA-N 431.459 2.227 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1760407856 RURSYGFEROSAOC-BVSLBCMMSA-N 446.640 2.431 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760452050 CDCSKJJTQBFAQJ-UHFFFAOYSA-N 447.543 2.214 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(F)cc(F)c1 1760526697 FRODYHGYNFXTRB-UHFFFAOYSA-N 429.475 2.357 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1762690830 HENOXXIDJGSAPF-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1762975852 BMPTYLSVIYQSIR-LZICOFPGSA-N 436.520 2.134 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1764685003 HCDJMCHMNDIGIA-HXUWFJFHSA-N 446.559 2.488 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)C(C)C 1765231267 BOVYHAXZOKQVHQ-QGZVFWFLSA-N 432.594 2.416 30 10 IEEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1767290928 BMDPUPMIABQIMO-UHFFFAOYSA-N 444.524 2.494 30 10 IEEE COc1ccccc1OCCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1 1768984806 NEACTPDWKZXXNV-UHFFFAOYSA-N 438.488 2.453 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCCO3)n1CCSCCCO)C2 1770736246 XCKDMKPNOMYGPI-SFHVURJKSA-N 444.561 2.170 30 10 IEEE Cc1cccn2c(=O)cc(CO[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc12 1852820343 CXYSBSJSOBXFBN-JOCHJYFZSA-N 434.496 2.171 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCC(=O)c2ccc3c(c2)OCCO3)cc1 1852884436 IZVAJPHNRKJAAD-NRFANRHFSA-N 438.480 2.309 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cc(C)n(C)n1 1854580409 XOWLHWGBRAAWTH-UHFFFAOYSA-N 428.514 2.211 30 10 IEEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@@H]1C 1856861781 UVNXFKBAVNELBS-HNNXBMFYSA-N 427.482 2.019 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(OC)cc1OC 1864820988 XAXYDDLNHSBMLX-CYBMUJFWSA-N 438.406 2.453 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(F)c(F)c3)CC2=O)cc1 1870160180 ZGPIIZPKXIBWBB-GFCCVEGCSA-N 438.394 2.417 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCCOC 1870550180 MBWCHHQFMLQDPK-NRFANRHFSA-N 447.576 2.075 30 10 IEEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(C(C)=O)CC2)nc1-c1ccccc1 1872798977 BJCSROCEJHNHIU-KRWDZBQOSA-N 440.525 2.327 30 10 IEEE CCOc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 1874341923 WDEJZSADCPAULL-LTNVFZTJSA-N 447.561 2.376 30 10 IEEE C=CCC1(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1908524731 XFSYOURGDVCJAT-HZPDHXFCSA-N 439.553 2.286 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986128336 PSPOYXUFGFBNAE-JYJNAYRXSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2059770352 UYEZYALFPFUOBH-JPYJTQIMSA-N 444.532 2.419 30 10 IEEE Cc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1C#CCN 2146010762 URGWQQKVGBWZFN-UHFFFAOYSA-N 425.510 2.123 30 10 IEEE COCC[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCO1 2172782186 NVBFELOJRIZLNS-CQSZACIVSA-N 427.148 2.385 30 10 IEEE N#CCc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1 2174787934 ZIGOYBPMCXOVSI-PMACEKPBSA-N 429.498 2.115 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2247860312 VFBNOVKFBVLQBY-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CON(CCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2248414930 RSNDFYKJXLSSMK-UHFFFAOYSA-N 441.359 2.247 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)C1 2255200462 HXOBUAAVRUKYNY-WDEWVQCLSA-N 441.572 2.436 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255628147 DLUYFEGDVNPLIS-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831438 VZYLISCOZIEXGR-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2255833086 XAEYZQBHPDDHHH-GZBFAFLISA-N 449.382 2.488 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCCONC(=O)OC(C)(C)C 2255877468 YQOVVLZCPVCPIO-UHFFFAOYSA-N 437.346 2.383 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256670631 HCFPWKCQFZUXDH-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)NCC1CC2(CCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267135568 DUZCVBSJSBTHHM-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE CC1(C)CN(Cc2ccccc2)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267164955 YOOMIMVGNNBFNX-LJQANCHMSA-N 436.365 2.416 30 10 IEEE CCn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267181313 QQWSXWRHANVOJW-HUUCEWRRSA-N 448.373 2.187 30 10 IEEE Cc1ccc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267230131 JSGPDNTVCKENEO-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267273118 ICKRPUOOROIHCL-FQEVSTJZSA-N 436.365 2.416 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267509649 YZXDLHKHQXUROT-HNNXBMFYSA-N 447.341 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879945 NIOPEYLZYDLSIJ-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)O 2269075052 UFETYAKRGCUXBD-BEFAXECRSA-N 442.321 2.113 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2296271048 CEZORBYPPLVXHL-OKZBNKHCSA-N 439.350 2.385 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C)cc1 2330748524 YNFDSACZKJFLED-UHFFFAOYSA-N 429.531 2.292 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2342544911 JSTBBBZRMQBKPF-CABCVRRESA-N 447.345 2.092 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@]2(NCCC#CBr)C(=O)O 2348839990 MHBYQDFBDUVZRY-QPBASRLBSA-N 431.327 2.095 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2366837180 POMIYLBZQABUFF-WFASDCNBSA-N 439.306 2.478 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(CCNC(C)=O)s3)cc2C1=O 16115633 WHFKAQSGGZYKJR-UHFFFAOYSA-N 440.477 2.248 30 10 IEEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2sc(C)c(C)c2c1=O 23405226 ARLAWPNYAMXHDW-CYBMUJFWSA-N 434.587 2.478 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(S[C@H](C)C(=O)N(C)C)[nH]1 253572825 QQJJUGFPUILUJC-STCDJXRXSA-N 441.565 2.380 30 10 IEEE COc1cccc(CC(=O)N2CCc3ccc(NC(=O)[C@@H](C)n4cnc(C#N)n4)cc32)c1 409636802 UQVPKSLOYWBITE-OAHLLOKOSA-N 430.468 2.490 30 10 IEEE CN1CCC(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)(N2CCCCC2)CC1 460501098 SGGUORHDNAJDIG-UHFFFAOYSA-N 446.617 2.444 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475755636 IAAHBYYNNOWKDE-VLIAUNLRSA-N 430.530 2.492 30 10 IEEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480273203 GZAOFCYCOYXPJB-UHFFFAOYSA-N 427.013 2.391 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c(C#N)cn1CCOC 481505354 YWODUOGKVBODPG-GOSISDBHSA-N 442.472 2.494 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1 484166260 UWVOYXZPFZBWHJ-DEOSSOPVSA-N 445.567 2.256 30 10 IEEE COc1ccc([C@@H](CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)NC(C)=O)cc1 486022258 YWDPQCWDWZIJHG-FGZHOGPDSA-N 434.496 2.051 30 10 IEEE COCCn1cc(NC(=O)[C@H](C#N)c2nc(O)c3cc(Br)ccc3n2)cn1 505433085 MZZMFHGIOUWFFD-CYBMUJFWSA-N 431.250 2.187 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(F)cn2)CC1 508883740 CGRPZDASGVJREZ-UHFFFAOYSA-N 427.509 2.316 30 10 IEEE COc1cc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1C#N 518633847 DIBVOUANBJNESU-UHFFFAOYSA-N 446.504 2.312 30 10 IEEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 532380408 YFZUQWXCOAFAAY-MRXNPFEDSA-N 435.546 2.463 30 10 IEEE CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 545274104 TVWSMZWPDFXEKV-CQSZACIVSA-N 433.538 2.202 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)CC1 554626936 HIGCMYGNFAEREQ-LJQANCHMSA-N 437.544 2.351 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 558920552 NHFUKAAWONRRFP-UHFFFAOYSA-N 441.539 2.289 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 574936436 SKFYEBAQJZDSRY-SFHVURJKSA-N 439.541 2.112 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 603799573 SSVBVLRYUAHDPA-GOSISDBHSA-N 449.507 2.370 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 642721183 GHEYJNDRMWKGRY-OALUTQOASA-N 447.561 2.234 30 10 IEEE CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732707216 VTLGLUVJLNYXHF-FQEVSTJZSA-N 425.533 2.086 30 10 IEEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 734104564 NUOVANCMTXUPDI-GOSISDBHSA-N 431.514 2.021 30 10 IEEE C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 734601012 LKCBHZCCSVALBU-HNNXBMFYSA-N 442.497 2.312 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 757587656 KULUSRWGKWQFSU-RVSPLBMKSA-N 434.443 2.193 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1-c1ccccc1C 760379416 XTIBIRBMJCPXOM-UHFFFAOYSA-N 436.562 2.181 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 765953281 DNCGUBPYPYGTNU-FZQQOISOSA-N 449.577 2.445 30 10 IEEE COc1ccc(S(=O)(=O)N[C@](C)(C#N)C(C)(C)C)c(NS(=O)(=O)C(F)F)c1 766503873 AFFKGCIYDHCYFO-OAHLLOKOSA-N 425.479 2.266 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 788810142 DEUGHXSSWORZHM-UHFFFAOYSA-N 425.489 2.316 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)n1 790986499 RYOUUIPTRMXBLU-KRWDZBQOSA-N 432.546 2.229 30 10 IEEE Cn1nncc1-c1csc(=NC[C@@H]2CCCO2)n1N=Cc1c(F)cc(C#N)cc1F 794839309 PSHMHQWLCKCKCM-ZDUSSCGKSA-N 429.456 2.457 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)c1 795305274 FSYBHDWUPFIXGR-UHFFFAOYSA-N 438.864 2.188 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@]2(C)CCC(=O)NC2)cc1 798780064 LSUBPXMKMURPHK-HSZRJFAPSA-N 438.484 2.372 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2)n1 799415587 HHBGISDAZGNXBM-YOEHRIQHSA-N 440.508 2.214 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCC(F)(F)F)C(=O)N1Cc1cnnn1C 807928783 CCWCSROIGZULMP-CQSZACIVSA-N 440.451 2.324 30 10 IEEE COc1ccc(NC(=S)NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 807947210 LIJHLZYKBJVPFY-UHFFFAOYSA-N 443.348 2.426 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812192865 RQQDCFLYJCMHHH-GOSISDBHSA-N 434.537 2.446 30 10 IEEE Cc1cccc([N+](=O)[O-])c1NN=C1C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1 1084610077 BUAXDYZMWARZCL-UHFFFAOYSA-N 427.402 2.069 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(C3CCOCC3)nn2C)c1 1125126057 PMTJMVYQJVRDQM-GFMRDNFCSA-N 445.545 2.379 30 10 IEEE N#C[C@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 1137571771 NBNIZFJBGCBFLD-INIZCTEOSA-N 438.303 2.246 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCC[C@@H](n3nncc3I)C2)c1 1153137217 YSFMTJBATPLAKW-LLVKDONJSA-N 425.205 2.371 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c(=O)n(-c2ccccc2)n1C 1171050219 CMAYESNZXVCUER-AEFFLSMTSA-N 441.557 2.307 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)c1cc(F)cc(F)c1 1176425923 NWQFBGVZZRUYSX-NSHDSACASA-N 429.395 2.411 30 10 IEEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1F 1190828747 IESTZSGZZSULBD-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc2n1CCC2 1279112998 CONZJNZSXQFYKB-LBPRGKRZSA-N 427.848 2.133 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286390113 XHSURISCFQLWHV-SFHVURJKSA-N 439.541 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2c(C)nn(C)c2C)CC1 1286488190 VWEBBWAMDFROTP-UHFFFAOYSA-N 435.532 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2CC2)CC1 1286488624 PFDOXUKOELSGCO-QHCPKHFHSA-N 429.565 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(CC)C(C)C)CC1 1286490120 HMVUACVRRJSNRL-UHFFFAOYSA-N 437.592 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccnn1C)C1CC1 1286546413 JAHPXAUFPXMAKL-LPHOPBHVSA-N 427.553 2.300 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286710000 KAVAEOGMLGLNKA-PMACEKPBSA-N 444.624 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286786160 YVDABHZVCBVPLG-MRXNPFEDSA-N 443.552 2.079 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286792736 GONXSBDJYJLMNM-GOSISDBHSA-N 442.589 2.286 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C(N)=O)cc1 1287470896 GTXDPGKMCKOHPR-UHFFFAOYSA-N 444.543 2.217 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccncc2Cl)CCOC1 1288321224 GTXJBZLZZJIMNA-UZLBHIALSA-N 432.912 2.144 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1cnnn1 1288981688 HINLSALWQIYJBM-LZJOCLMNSA-N 427.557 2.404 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1291250076 NNTDVOOGDGRSCV-MUXVIGPSSA-N 446.577 2.029 30 10 IEEE CCn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCNC(C)=O)CCO2)cn1 1295902351 LTLNPCFLWCIQBA-OAQYLSRUSA-N 448.531 2.137 30 10 IEEE Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1297996398 SBSJPJNJSMSQLU-GOSISDBHSA-N 440.569 2.391 30 10 IEEE CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1300026195 AHXMNEXIAJTPKC-UHFFFAOYSA-N 437.424 2.095 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccco1)N(C)C 1300459917 KLVNANZPVNEAQZ-KRWDZBQOSA-N 441.561 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1([S@](C)=O)CC1 1300595538 LSXXSHLIRNRIGC-PMERELPUSA-N 426.542 2.240 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1c(C)nn(-c2ccccc2)c1C 1300650958 XEEPUISMWCOZQN-UHFFFAOYSA-N 449.559 2.353 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1Cc1ncnn1C(C)(C)C 1300674955 IIOGDMWCMAUHRI-UHFFFAOYSA-N 441.511 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1300688656 HVERTTZBTDDWHF-MOPGFXCFSA-N 439.560 2.390 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2cccc(C)c2)CC1 1300690101 BCSYUDTUYBSFQL-UHFFFAOYSA-N 432.528 2.340 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)CC1 1300693433 XNJRTNFKGUAWBR-UHFFFAOYSA-N 433.491 2.241 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cnn(-c3ccccc3)c2)CC1 1300731444 PRQXHSRJLZSAEX-UHFFFAOYSA-N 447.543 2.014 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1300763470 PXEUHERVBJPTEP-LJQANCHMSA-N 425.558 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(OC)CC1 1301586494 MNYQSOASCNYHAR-NRFANRHFSA-N 433.578 2.260 30 10 IEEE COCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](F)(C#N)C1 1302220344 PVJDUELGUVAKPQ-OAQYLSRUSA-N 425.468 2.440 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1302225937 WWAUHSKYXKHJTI-KSZLIROESA-N 446.552 2.300 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc(C4CC4)n3CC(=O)NCC(F)(F)F)CC2)cc1 1302991332 FNFWDVFUTQXSSP-UHFFFAOYSA-N 447.465 2.028 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CCCS1 1303848086 HKFSOGPMVYFRCA-QGTPRVQTSA-N 426.612 2.304 30 10 IEEE Cn1ncc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1Br 1309448027 AGSNQPJBSRBICB-UHFFFAOYSA-N 444.742 2.219 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(c4ccc(Cl)cc4)CCO3)CC2)cn1 1313016377 NPRYBNCLUCTBHO-NRFANRHFSA-N 440.935 2.344 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)CC1 1313433160 PGUZQLPJKMQQMJ-JOCHJYFZSA-N 434.544 2.110 30 10 IEEE COCCN1C[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1=O 1316121378 GHDRIEMXBUSBPQ-ROUUACIJSA-N 449.559 2.441 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC(=O)N2CCOCC2)cc1 1316531748 WTABYMWPDOCSIJ-UHFFFAOYSA-N 446.433 2.374 30 10 IEEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1344706489 VHOCYFBTGODPRJ-ZNBHLAFESA-N 446.511 2.434 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)c(OC)c1 1352007850 GOONCGBEDFDTOQ-SJLPKXTDSA-N 438.532 2.175 30 10 IEEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c2cnn(C)c2n1 1354741996 ZTMCNAORSQESNF-HKOYGPOVSA-N 426.502 2.342 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 1357544630 QTDKUNUCRKOYNG-XFEADYBZSA-N 436.534 2.351 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1CCOCC1 1357978329 JYNTWSIUNLTSJR-IAGOWNOFSA-N 425.526 2.438 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1ccccc1F 1358872128 OUVBSECOCIDKKV-ARFHVFGLSA-N 437.541 2.343 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)OCC)c1 1358902116 FKGRTPZZBFQLQC-SFHVURJKSA-N 438.532 2.101 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1358972950 YRKMTQWQGDXGIC-FQEVSTJZSA-N 438.482 2.246 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1359000704 CJECESOSQPRBEP-DEOSSOPVSA-N 439.560 2.437 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCSC1 1359022852 OSYWEVSXIANBAF-INIZCTEOSA-N 448.618 2.077 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC=C)CC1 1359036161 ORUPROKCCIZSSE-LJQANCHMSA-N 444.580 2.308 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1359043652 CKSCIARGFZHSIV-PMACEKPBSA-N 449.603 2.426 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1359214614 HRZBAVKBCHGYII-GOSISDBHSA-N 425.493 2.430 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359221580 HEJNXJZPQWWCEZ-KRWDZBQOSA-N 434.585 2.140 30 10 IEEE C=CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C)C1CC1 1359249506 DLJIXSLOOXZXRK-UHFFFAOYSA-N 428.562 2.483 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C1CCC1 1359293844 BHZVREUTJRXAID-LJQANCHMSA-N 443.573 2.420 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359303311 JTKNVFRBAIXRJE-PMACEKPBSA-N 425.533 2.350 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1359323672 URWNZDCDTTXZGN-FCHUYYIVSA-N 440.592 2.402 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1435103327 NOEWBWFFMKNIPU-MRXNPFEDSA-N 427.302 2.357 30 10 IEEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1456207209 GQNWOOUTZZNDHP-DLRJPAPCSA-N 439.578 2.056 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnc4n3CCCCC4)C2)C1 1463931221 YGRBEWBVAMXQOT-JXORXQGFSA-N 428.537 2.408 30 10 IEEE N#Cc1ccc(CSc2nnc(NC(=O)CCC(=O)N3CCC(O)CC3)s2)cc1 1464403820 WHXZDZADGPSCEG-UHFFFAOYSA-N 431.543 2.404 30 10 IEEE C=CCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(=O)OCC 1468126636 WZPLTSLLECKYNT-MRXNPFEDSA-N 428.576 2.479 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1504660394 RSHQXBJZAONRJK-DNVCBOLYSA-N 438.488 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(C)=O 1507534205 SCAPAOCLGQHANF-INIZCTEOSA-N 435.532 2.220 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1507593374 NWZSEMUNIKOXJZ-KRWDZBQOSA-N 443.573 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1507733671 HQOYIBQZKLPDHR-LJQANCHMSA-N 448.571 2.420 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCC2)CC1 1507739978 WJASZQWTVBGMAR-NRFANRHFSA-N 442.608 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccn(Cc3ccccc3)n2)CC1 1507742316 GUQKFPZTTQDMHH-UHFFFAOYSA-N 431.544 2.099 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCOC1 1508129827 CWWZSFMJHXZCRI-JKSUJKDBSA-N 438.525 2.383 30 10 IEEE CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1Cc1ccc(C#N)o1 1509002034 JPUJIAGTVBJEPW-GOSISDBHSA-N 439.564 2.437 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1517399990 YMTVZWMBKHDMII-CYBMUJFWSA-N 432.410 2.064 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1517436660 VCYBHXDCPNAJNM-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Cl)ccn1 1517627953 RNJRVOCCQPNISP-UHFFFAOYSA-N 445.936 2.051 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1)C1CC1 1519521020 OQNUBZPOYFXNQE-UHFFFAOYSA-N 436.497 2.343 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCNC(=O)c2cccc(O)c2)C1 1521069168 FHFMZBUWWBJPCB-QHCPKHFHSA-N 449.490 2.232 30 10 IEEE COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1C#N 1535536063 BQTBLNUQKYZKLA-INIZCTEOSA-N 441.465 2.143 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)cn2)cc1 1536226517 PHFFXDLLNMNNRO-MRXNPFEDSA-N 441.538 2.343 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539049635 RRNBOTKCPSGHOY-INIZCTEOSA-N 441.532 2.441 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1N(C)CCCC1(C)C 1539408821 DOGRVTVDNUTVIQ-LJQANCHMSA-N 442.564 2.212 30 10 IEEE C#CCSCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@@]1(OC(C)C)CCOC1 1539530679 LTQTVAKHEFMRPP-LAUBAEHRSA-N 445.593 2.155 30 10 IEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540042483 OGVOCOGACCEQGU-OALUTQOASA-N 449.596 2.290 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1540857698 NCNQAYINDPQEHC-INIZCTEOSA-N 435.525 2.008 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCn2nc(C)nc2C1 1540875475 NGTXUIBRCXNPHB-UHFFFAOYSA-N 438.561 2.101 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1540889754 SYDWYYWCIPDNHX-HZPDHXFCSA-N 437.470 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1540902704 OSGPOKPJTULDAM-UHFFFAOYSA-N 431.562 2.142 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1545497541 LBZQQJRWONEVLF-UDKVHCSXSA-N 428.537 2.466 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1552911694 JBLDZBSAJKCGGJ-HNNXBMFYSA-N 425.461 2.069 30 10 IEEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)C(C)(C)C 1554630096 BRFONGHYOGXIIX-YJBOKZPZSA-N 448.593 2.457 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1555995353 FTQDOCIVHWSSHG-SFHVURJKSA-N 429.546 2.259 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] 1557096930 KOHDNTWIINUTBX-GJZGRUSLSA-N 427.461 2.471 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1558561159 HYBXPLUZOBPLPZ-JOCHJYFZSA-N 433.505 2.214 30 10 IEEE Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2=O)cc1 1566113235 WDYVYGIFXDRXOD-LJQANCHMSA-N 429.473 2.357 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(F)c(Cl)c1 1569302444 QCZYENZTRPSRPL-UHFFFAOYSA-N 425.869 2.103 30 10 IEEE Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cnn1-c1ccc(F)cc1F 1585087514 ROTGSFDBFWZETR-UHFFFAOYSA-N 431.424 2.136 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1587526174 FDPANHRGFCKUIX-UHFFFAOYSA-N 445.539 2.335 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1588055816 ZWFFDUVUVPBWSL-LEWJYISDSA-N 442.585 2.430 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588074370 MFYAJMWUBXDLOD-IDYZSHNDSA-N 438.594 2.037 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)s2)CC1 1588864756 JRSWXPOEHZYLIX-UHFFFAOYSA-N 440.598 2.443 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1589096947 IJQCJVSMBCMBHZ-UHFFFAOYSA-N 425.558 2.265 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1589381429 BTEBDDJYTURPNO-DOTOQJQBSA-N 448.369 2.191 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594491502 CBCBLPVYIRZZGP-NVXWUHKLSA-N 442.568 2.406 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1594963793 XMOCIGBLTFUNEV-QGZVFWFLSA-N 431.541 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Cc2ccccc2)C1 1595785197 UHTHIRUREPQNEW-LJQANCHMSA-N 440.573 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(C)C)CC1 1595804980 JYFBMBMROGMMJY-UHFFFAOYSA-N 431.606 2.309 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/C(=O)c3ccc(C)cc3)CC2)cc1 1618209691 OJULTQFYWOQGOH-VAWYXSNFSA-N 428.510 2.276 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCOc2ccc(F)c(F)c2)CCO1 1620354595 ARZWQFSPXGAGKC-KRWDZBQOSA-N 426.427 2.350 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@H](Cc2ccncc2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1627293843 SYCSEORCTARQSV-MBSDFSHPSA-N 429.517 2.323 30 10 IEEE C#CCN1CCCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1629542190 CNWXGRFVQCWMFJ-OAQYLSRUSA-N 428.577 2.179 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C1CSC1 1632571467 BHDBILZMJCBNPL-UHFFFAOYSA-N 444.534 2.085 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc3[nH]cc(I)c3c2)CC1 1634998036 ACDJZVUCGGXFEX-UHFFFAOYSA-N 435.265 2.374 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CCN1C1CC1 1637952806 JSQIYOMYFXJTRW-WBVHZDCISA-N 432.322 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N3CCC4(CC3)CC(=O)C=CO4)=NO2)C1 1639650863 HTJHXTUSIIFWIT-QFIPXVFZSA-N 433.505 2.397 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)c1 1640885702 GHWIIHCMLYQQEL-DNVCBOLYSA-N 442.541 2.199 30 10 IEEE NS(=O)(=O)CCCCCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645936691 FZCJDYNRXLKWJR-DTORHVGOSA-N 446.360 2.465 30 10 IEEE O=C(CN1CC[C@H](c2ccccc2)NC1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651223888 YLKYSBPXYBLCDJ-LJQANCHMSA-N 436.468 2.047 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1675582084 MTPNKVOPOMCNJQ-IBGZPJMESA-N 435.521 2.431 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1690262786 NTBKBCCHHGCJLH-GOSISDBHSA-N 443.596 2.434 30 10 IEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O 1690337340 LMTXQNPVYMYDQS-UHFFFAOYSA-N 426.926 2.340 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1690580725 DWIFMCCPKOKHBO-HXUWFJFHSA-N 440.596 2.433 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCOC2)cc1 1690680609 WPQZVBFBWCJZPZ-RTBURBONSA-N 446.573 2.266 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690748787 HNGRFXQMEINKAW-AZUAARDMSA-N 428.606 2.340 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1691009412 YMISKPWBJWKWAC-SIUCFOQUSA-N 433.516 2.186 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1 1693551415 FLDQUQJYTHYUNP-QRQCRPRQSA-N 436.541 2.453 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1696383685 CNTDZVRVYVHIMY-XXBNENTESA-N 441.532 2.397 30 10 IEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1697145458 DALVPMPCSPYYIR-MAUKXSAKSA-N 434.566 2.067 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCO[C@H]1C 1705627195 YIQHITJTFKZGRN-SBUREZEXSA-N 437.500 2.226 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCSC2)CC1 1705636346 GPWMSSDKDNHMPM-FQEVSTJZSA-N 435.956 2.361 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCc2nccs2)CC1 1705642697 FBXGDTVWESNDQA-UHFFFAOYSA-N 426.521 2.451 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1705665063 JHIXFEAYWXADMZ-NQIIRXRSSA-N 432.546 2.468 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705688963 BCDWWXZRPFCNMZ-ZIAGYGMSSA-N 442.383 2.430 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705791794 DMSAVHPBBNGHPP-MRXNPFEDSA-N 425.599 2.245 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705821332 SCMFGADNLMXUML-INIZCTEOSA-N 443.621 2.389 30 10 IEEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1705858344 MREPJPVABYWMOE-MRXNPFEDSA-N 432.546 2.455 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3sccc23)CC1 1705896941 CCVCHAFFTZNLCW-OAHLLOKOSA-N 440.577 2.425 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCSC1 1712454154 KGWCKTPCOUFNTL-FQEVSTJZSA-N 437.516 2.382 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)NC(C)(C)C 1712641839 SBLKTUZZUANZSS-SGXKBVARSA-N 432.569 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2o1 1722389123 CXPZVZMMPFYMAA-QGZVFWFLSA-N 439.541 2.340 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(CC)CCC(F)(F)F)CC1 1722437511 UOSFJMBVLWMGQT-GOSISDBHSA-N 442.530 2.202 30 10 IEEE C=CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722621818 CKIRKPMHUYGXQG-WOJBJXKFSA-N 432.613 2.407 30 10 IEEE C=CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1)C1CC1 1722651372 SQKIEHYIASUCPC-SFHVURJKSA-N 425.533 2.452 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1COCCO1 1722654095 ISLWIUVPIKOCAW-FQEVSTJZSA-N 441.532 2.017 30 10 IEEE C=CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722740066 OWEDGDFZKBKYIK-SFTDATJTSA-N 438.594 2.234 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)CC#N 1723670242 TVDHVTPQPQZMTG-AWEZNQCLSA-N 440.520 2.213 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(C)C)C2)CCOC1 1723690156 IJNYCHJKHLLUAF-TXTKFYIRSA-N 446.596 2.168 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCSCC(F)(F)F)CCOC1 1723691452 LNIGGJBKGOYVPK-PBHICJAKSA-N 449.499 2.343 30 10 IEEE CC1CCN(CCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1726631910 PHFILQLUENFCRA-NZQKXSOJSA-N 446.596 2.169 30 10 IEEE CCN(CC)C(=O)CN1CCCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1728354746 LMZYFBFWGRXLGD-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC2)CC1 1728675964 HIVQDIBUQJQTPY-UHFFFAOYSA-N 436.564 2.154 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](OC)C(F)(F)F 1740541641 DIQFODGHWYYEGP-CJNGLKHVSA-N 434.426 2.346 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1740551425 UOJXABXOWYBKTK-DYESRHJHSA-N 425.533 2.095 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC[S@](=O)CC 1740613296 BGCQTZIOELMQHP-RUZDIDTESA-N 425.352 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740642081 SKGMTNJNKSOECS-QURGRASLSA-N 448.914 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740657222 WCDBMPJBZZLXBK-FPOVZHCZSA-N 437.519 2.466 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccco2)N(C)C)CC1 1740698157 PKCIOYVNJRLOSR-LJQANCHMSA-N 439.589 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1740704201 JWGLPGBXVLQKKX-RTWAWAEBSA-N 434.544 2.287 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1cccc2[nH]ccc12 1741918599 ONPTYCMGBFVLIU-OAHLLOKOSA-N 441.561 2.352 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCOCCS(C)(=O)=O 1744657255 NUVFRCSPANYHOC-FQEVSTJZSA-N 445.589 2.232 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC(=C)C 1748652013 VRUYUOSHGOGXSR-KRWDZBQOSA-N 431.562 2.246 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1748759030 CJSSAHZNCJRNRT-UHFFFAOYSA-N 446.490 2.398 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818177 WUMLTFBXRZXAEO-LJQANCHMSA-N 443.573 2.132 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748823896 DVTKDSNOJUZGDJ-ZHJYEMEWSA-N 426.542 2.470 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748847342 SGHYENLMCOXFLR-TZIWHRDSSA-N 433.512 2.021 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1748978969 SCZDIQBJANJOBP-VGOFRKELSA-N 444.605 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(SC)CCOCC2)CC1 1749000830 AMQQXIGHYRTXSN-UHFFFAOYSA-N 433.622 2.454 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(C)=O)c2)CC1 1749329251 JGGAPKBIPSJPBU-OAHLLOKOSA-N 446.577 2.297 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749355042 FBJQVDAPECYBNC-IAGOWNOFSA-N 427.440 2.071 30 10 IEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1750852371 XYPIYDIHYPCCPY-UHFFFAOYSA-N 438.492 2.106 30 10 IEEE CC(C)OC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1751034302 KHEPYYUJIRXUKJ-XUTLUUPISA-N 439.520 2.193 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(F)cc1F 1751212199 HZOIFDKOWUMGCL-CYBMUJFWSA-N 438.504 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC(F)(F)F)c1 1760120041 GZCQTMVQBPRXGM-AWEZNQCLSA-N 436.438 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)N(C)C)c1 1760126779 IQOFXAHEHZGWCC-VDGAXYAQSA-N 425.533 2.210 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 1760145454 PHBCYPFCNAWHOM-OAHLLOKOSA-N 436.607 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760201085 HCXGCFWROPIXKD-QGZVFWFLSA-N 425.537 2.254 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1760262836 DHVBLQKLNOAVMF-FQEVSTJZSA-N 436.604 2.310 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1760274493 KHQDRWGTKPHPJA-PKOBYXMFSA-N 445.564 2.444 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760306543 IKIHCGHCPDAKMA-DJIMGWMZSA-N 440.386 2.238 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCCOC2)C1 1760526829 UXZOKMBCLURCCC-HSZRJFAPSA-N 425.533 2.475 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1ccc(Cl)s1 1760527026 LMMAKRZQKZNSMT-UHFFFAOYSA-N 436.969 2.444 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1760568761 RUVMKYWBHASCED-GCJKJVERSA-N 449.621 2.441 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1761360160 HFYIQBGLWSYYMY-OLZOCXBDSA-N 437.426 2.460 30 10 IEEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1765570031 QCBNPAJSADQDLA-NRFANRHFSA-N 446.600 2.103 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1772555420 XTAFCCDSCAHQNA-WMZHIEFXSA-N 433.597 2.442 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1772791626 BSBUDVJDIFOOHP-UHFFFAOYSA-N 448.884 2.495 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(N3CCC(C#N)CC3)CC2)c1 1848888550 XJRMXCNBDXJCHO-JOCHJYFZSA-N 444.601 2.375 30 10 IEEE C=CCN([C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854331080 UACKLKGPRVOWAC-CVEARBPZSA-N 425.407 2.045 30 10 IEEE C[C@@H](Oc1cccc(F)c1)C(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856905484 GWILWHGKTNWKNL-CQSZACIVSA-N 431.445 2.216 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862594664 AWUQSPIIZNWLJH-FQEVSTJZSA-N 440.452 2.211 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc(Cl)c1O 1862634707 RLWALAPCQHZDPK-QGZVFWFLSA-N 447.827 2.354 30 10 IEEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C2CCC3(CC2)OCCO3)C1=O 1863553292 JRRXTNHAYCTFHX-UHFFFAOYSA-N 425.485 2.186 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(OC)cc3)CC2=O)cc1 1870159040 BZZLNQIBMYWLCF-AWEZNQCLSA-N 432.440 2.148 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874292927 STBORVONMUBKFA-LSHDLFTRSA-N 441.469 2.024 30 10 IEEE C=CCC1(NC(=O)c2cnn(C)c2I)CN(C(=O)OC(C)(C)C)C1 2006275462 XLTGRLJKZLFMKX-UHFFFAOYSA-N 446.289 2.320 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2011920424 RXWVKRHQZURESG-OAGGEKHMSA-N 440.541 2.060 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2014679880 LZIGWFCJSYKLEZ-INIZCTEOSA-N 439.553 2.029 30 10 IEEE C=CCC1(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2022829178 FEKSTKNIBREPDL-CVEARBPZSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@](O)([C@H](N)C#Cc2ccccc2Br)C1 2227477395 QLNBHMWPOKRGGB-APWZRJJASA-N 425.323 2.126 30 10 IEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255343945 BZVRALDYGZSXAX-BBRMVZONSA-N 436.314 2.214 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630127 GEOJOHNCTGIJOB-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255636930 BJAGSNXTWDNGPI-ZIAGYGMSSA-N 449.382 2.285 30 10 IEEE C=CC1(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255810197 ITTRDCHNUZCKSF-UHFFFAOYSA-N 429.326 2.286 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255821063 DDNYMRLHDPXSAX-LSDHHAIUSA-N 431.342 2.475 30 10 IEEE C[C@H](CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255826803 SFOABPNGCPAWPR-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837478 QACBFCMORCOPFK-IPYPFGDCSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H]2COC[C@@H]21 2266051825 MWGDXEYDTUJWRG-HOTGVXAUSA-N 449.332 2.344 30 10 IEEE CC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)CC1 2267136997 OGGNLHFCUZEEJY-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]2C1 2267143286 GGHATKUKQSXNOQ-ZNMIVQPWSA-N 446.357 2.084 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2267154038 FQOPRHIYMVNVAJ-LSDHHAIUSA-N 448.373 2.093 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267178154 YCQLWBPAPHHJEQ-USXIJHARSA-N 443.353 2.427 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c1 2267224386 LRCPEPMWYSREPL-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267515518 PRJLGXOLLXMKPU-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CCC1(CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267518026 CCGNVIXNFQSGJH-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE C[C@H](NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267578066 GXXUKEQITSMCBB-HNNXBMFYSA-N 446.353 2.086 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267883773 ITAZEZVFAVSDER-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268710057 FPIAFDCSFJSVHD-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CN(Cc1nn(C)nc1Br)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280766718 IQAIQPGVLYQPND-UHFFFAOYSA-N 426.099 2.047 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2298375841 DMRWUOMOIACMLZ-UBHSHLNASA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(N)=O 2317335604 IYUSTYGOGABXQT-OAHLLOKOSA-N 433.314 2.484 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)n1C 2319264659 VMNAYCGAORWESO-CQSZACIVSA-N 427.310 2.143 30 10 IEEE CCc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327842508 FGODISIGLAWCOB-INIZCTEOSA-N 428.562 2.415 30 10 IEEE COc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)c1O 2329322708 BDEZJRXVOWXCIF-UHFFFAOYSA-N 427.486 2.169 30 10 IEEE COc1[nH]c(=NC[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2339784661 DARNWBFBVKWNRS-MUJYYYPQSA-N 445.369 2.336 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)n1N 20291976 NZAREHQRUAUVNT-KEBDBYFISA-N 442.461 2.086 30 10 IEEE CC1(C)CC(=O)C2=C(C1)N(CN1CCOCC1)C(=O)[C@]21c2ccccc2-c2oc(N)nc21 20568323 OYDMUARBKZILFN-XMMPIXPASA-N 434.496 2.298 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\N)N2CCN(c3cccc(C)c3C)CC2)cc1[N+](=O)[O-] 20857309 RZXYTHSEDMLZBZ-UHFFFAOYSA-N 431.518 2.346 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)ccc1F 31221745 TYJCYPIXXRFMIM-UHFFFAOYSA-N 428.388 2.364 30 10 IEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3O)n2)o1 59830669 BAQDEQGORKRHKV-CIAFOILYSA-N 444.521 2.433 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN(C)C)cc1O 170111894 DPYFICKMODBUOO-LJQANCHMSA-N 441.440 2.449 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 254291045 CFVLYUWEGWPWNV-HZSPNIEDSA-N 434.461 2.486 30 10 IEEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 434839451 FTBUAKUXAWKOMI-UHFFFAOYSA-N 427.427 2.113 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 463524501 QRXNBLWMSQZWON-UHFFFAOYSA-N 441.509 2.278 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 471988183 HNNQGGBYKLHHSZ-UHFFFAOYSA-N 436.564 2.096 30 10 IEEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 475549923 RMASKUKUUWIKRE-UHFFFAOYSA-N 426.521 2.033 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479832109 SQADLQMZLBFQQW-UHFFFAOYSA-N 438.509 2.120 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c(F)c1 490424523 UNMNSIAGYQGCCE-MRXNPFEDSA-N 438.278 2.295 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)cc1 497932760 CBUVNUAQOHWNBR-JAXLGGSGSA-N 441.601 2.318 30 10 IEEE COCCOc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 507594937 FLCSBWLPXQBRCU-UHFFFAOYSA-N 444.918 2.441 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 509014392 XEWQORDADYAFNH-RHSMWYFYSA-N 435.370 2.389 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1ccc(Cl)cc1 509129482 WJRXVYCJHZYQCI-NQIIRXRSSA-N 438.919 2.410 30 10 IEEE CN1C(=O)C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 514753539 HAFWGJHKGKHRSS-LPHOPBHVSA-N 436.896 2.081 30 10 IEEE COCCCN(C(=O)Cc1cccc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 531149214 GWEAAWOPGQNZQZ-UHFFFAOYSA-N 447.495 2.063 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 534980965 MXCOHKDJQVGIFK-UHFFFAOYSA-N 437.525 2.482 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C3CC3)c2=O)c1 537396093 WIZCBGXRBCQRQN-UHFFFAOYSA-N 432.505 2.099 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(C)C)c1=O 541800580 GMXPCYDQRLZAPF-UHFFFAOYSA-N 442.541 2.058 30 10 IEEE COc1cc(CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc(OC)c1OC 544714593 IDZYSAXJCFFIIE-UHFFFAOYSA-N 437.562 2.244 30 10 IEEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546197963 OEHUENJOLVFAJV-HXUWFJFHSA-N 437.569 2.462 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccn(Cc4ccccc4)n3)C2=O)cc1 552434640 TTZYWCSZRSGCLK-OAQYLSRUSA-N 442.479 2.324 30 10 IEEE Cc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nn1-c1cccc(C#N)c1 557996216 WDFLWKDGBTXEAI-SFHVURJKSA-N 435.509 2.245 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 578543668 FRSSRXGBKKGQCC-PBPSECFOSA-N 427.501 2.284 30 10 IEEE O=C1ONN(c2ccccc2)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCSCC1 585673522 GPKZUAPADJFSHR-DZYWVNKRSA-N 436.493 2.210 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NC3(C#N)CCCC3)CC2=O)cc1 585705384 YXMHRCCTUBANQP-INIZCTEOSA-N 432.546 2.023 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccccc1C#N 604001388 NKFVRMGSBAWKRK-UHFFFAOYSA-N 446.919 2.206 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 610808930 HAKYGMQIMSWSEC-SUMWQHHRSA-N 429.502 2.239 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1C[C@@H]1CCCO1 730724166 LAYCKGCKMAZLRN-RDJZCZTQSA-N 436.497 2.488 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744029750 UZIRNCOHLNMNDO-RUGGUXRKSA-N 437.496 2.011 30 10 IEEE COc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1C#N 746886675 KKWHMWMCMJZMSJ-UHFFFAOYSA-N 449.248 2.218 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 758149215 RXPOHRNNKDFULG-RTBURBONSA-N 436.597 2.297 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C#N)c(NS(=O)(=O)C(F)F)c1 759498634 JECGSWVPXBIQBC-UHFFFAOYSA-N 435.405 2.471 30 10 IEEE CC1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)[C@H]1C#N 769891520 DJXGCOKONVGTRO-CPYXBQISSA-N 430.574 2.145 30 10 IEEE CN(Cc1cnc(N(C)C)nc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 780501960 PTPHTGAHXIAZQC-MOHJPFBDSA-N 445.549 2.019 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 780919477 JBIMZLJGIFWGQN-KRWDZBQOSA-N 439.946 2.230 30 10 IEEE N#Cc1ccccc1/C=C\C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 799627657 GQRSJSPAXHRADH-YHYXMXQVSA-N 426.454 2.013 30 10 IEEE CSC[C@@H](C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 799627704 IEYCGFONPLEVDH-RDTXWAMCSA-N 446.529 2.158 30 10 IEEE C#CCN(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1Cc1ccccc1 802255006 CGWSDPMFIHQXSL-UHFFFAOYSA-N 428.540 2.354 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC 802430145 KQHLMXLZHBEWCI-GOSISDBHSA-N 426.521 2.079 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccc4ccccc4c3)n2CCOC)CC1 802470206 AOZDJKFKFVNSFT-UHFFFAOYSA-N 448.571 2.093 30 10 IEEE CC(=O)c1ccc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c(F)c1 804161127 AMFMHZYMUSYRGQ-UHFFFAOYSA-N 426.423 2.004 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)C1 808758077 XGWHAGZNOZMNNH-NRFANRHFSA-N 434.562 2.450 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC2(CC1)OCCO2 809924170 IICQHWRTSIMABJ-UHFFFAOYSA-N 432.550 2.076 30 10 IEEE C#C[C@H](NC(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1)[C@@H]1CCCO1 812902981 NQUOCHKPOOWHED-GUMHCPJTSA-N 434.581 2.330 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 849187578 ABCOIVOEDHQDOP-WYMLVPIESA-N 443.481 2.268 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 916178945 VTGZDMBJTNSLRK-UHFFFAOYSA-N 428.466 2.329 30 10 IEEE COCCNC(=O)Cn1cc(C=NNc2ncc(F)c(N3CCCC3)n2)c2ccccc21 1081088389 XOGKZINXPPLKOW-UHFFFAOYSA-N 439.495 2.379 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccccc1 1084587810 RSGCYMGDAKJDDZ-UHFFFAOYSA-N 426.462 2.467 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)c3ccc(I)cn3)n2)cc1 1126549562 JIKDAWRTSOPBHP-UHFFFAOYSA-N 430.209 2.450 30 10 IEEE C#CC[C@]1(C(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1130681686 XKPUBDALRVJVJC-RTBURBONSA-N 431.455 2.306 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2=O)cc1Cl 1131524018 RLYPGEHBDCIFBY-KXBFYZLASA-N 443.912 2.350 30 10 IEEE CC(C)(C)OC(=O)[C@@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1131537821 ACVBZJXEZQUVLE-QFIPXVFZSA-N 443.525 2.098 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)cc1 1142601963 RAMRTGWMDPFEBK-ZDUSSCGKSA-N 435.527 2.138 30 10 IEEE N#CCCn1cc(C(=O)N2CCN(Cc3cn[nH]c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1162353732 SLGOMQPABXUNNB-UHFFFAOYSA-N 434.460 2.053 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 1163485229 QRUCXUPNINDVSW-NRFANRHFSA-N 444.553 2.411 30 10 IEEE CCn1c(=O)c(=O)n(Cc2cc(Cl)cc(C#N)c2)c2cc(S(=O)(=O)N(C)C)ccc21 1188364392 CYILESGWXORWHJ-UHFFFAOYSA-N 446.916 2.007 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)C(=O)OC 1191201259 KQMNVBVKMJURNL-GFCCVEGCSA-N 429.317 2.416 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NCC1(O)CCS(=O)(=O)CC1 1206203036 MBUHPLGRUNHCKH-UHFFFAOYSA-N 433.324 2.075 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)c1 1212180014 QOEKKHGHDNJVDO-NRFANRHFSA-N 444.553 2.411 30 10 IEEE N#Cc1c(CCCNC(=O)NCc2cnc(Cl)cn2)nn(-c2ccc(F)cc2)c1N 1235562192 OFSRSIWDAYNKKH-UHFFFAOYSA-N 428.859 2.341 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OC(=O)Cn1cccc(C(=O)OC)c1=O 1264126018 JRWAHQPKZOROJI-UHFFFAOYSA-N 435.230 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC=C 1286273697 IUVWGIYQYPEKQN-GFCCVEGCSA-N 426.340 2.094 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286352215 XTYFXGWJIGBZFC-IBGZPJMESA-N 440.567 2.458 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Cn2cccn2)c1 1286358500 IFGWQJTZUNNHKT-UHFFFAOYSA-N 426.484 2.288 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286410933 JNLJCPXACVQGLL-XMMPIXPASA-N 440.551 2.238 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccccc2)CC1 1286490339 QFFJLBNFZPNSHF-GOSISDBHSA-N 447.543 2.112 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286505478 BAAQATJSYQODQR-AWEZNQCLSA-N 440.541 2.137 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2cc(CO)nn2)CC1 1286639652 BYIRWNXMIUBOPO-UHFFFAOYSA-N 439.520 2.293 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1286672062 GDQBJQAVEMEDPR-BBWFWOEESA-N 425.599 2.306 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1)C1CC1 1286738124 QNKDSIPHYMLNKU-LJQANCHMSA-N 449.552 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1286785761 RZAQBZWPAQZIMD-UHFFFAOYSA-N 435.532 2.278 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2ccc(OC)cc2C1 1286825842 YGIOPZDUCULMDV-LJQANCHMSA-N 432.546 2.302 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1286829505 DNIVGLADFPUPGS-OAQYLSRUSA-N 439.545 2.215 30 10 IEEE Cn1cc(I)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 1290399333 AWJXIKLJYZVSCI-UHFFFAOYSA-N 449.296 2.244 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)n[nH]1 1290448006 IAQNSKKBQGHIHC-UHFFFAOYSA-N 436.520 2.321 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)OC 1293990311 AKBXZVMXELNVOC-PKOBYXMFSA-N 440.504 2.185 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c1 1298842307 TYODCDVPKHDNTJ-UHFFFAOYSA-N 434.424 2.434 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCc2ccccc21 1300513075 QXLJWQRRGLNHFT-RUZDIDTESA-N 433.556 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1300579729 YWXPQFGOABGRAX-UXHICEINSA-N 439.585 2.380 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1300671187 DRRSNIKEUCLKGA-HNNXBMFYSA-N 439.438 2.361 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCC(OC)CC2)CC1 1300683262 YKRZGTPHFYEZMR-UHFFFAOYSA-N 430.597 2.157 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)NC)c2)CC1 1300703828 UEMSSLYJWLUWBN-UHFFFAOYSA-N 434.569 2.094 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1300709015 ZUDHOHXBWMCYIB-NTKDMRAZSA-N 434.544 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCOC2)CC1 1300728606 BHLCNNJQKZEFHC-OAQYLSRUSA-N 435.572 2.456 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C(C)(C)C)C(C)C 1301372270 WAOSOQIOMFKXKE-RTBURBONSA-N 432.613 2.225 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1301422238 DCLWBAQFRZPACC-HNNXBMFYSA-N 425.459 2.258 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1301499603 CQEMLJCWJMSZPP-QFBILLFUSA-N 429.496 2.191 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[S@](C)=O)cc2)C1 1301535244 JODDKVVKTQHYLH-RQZFFVEVSA-N 445.589 2.124 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301559747 FUFYSERMIMTYEF-NRFANRHFSA-N 429.546 2.258 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)C[C@H]1C 1301886780 BBDMIJKNTSQBPM-GOSISDBHSA-N 447.543 2.426 30 10 IEEE CN(C)CC#CCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1302294854 CNTIXAGFXLTDSU-UHFFFAOYSA-N 427.364 2.217 30 10 IEEE Cc1cc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c(C)n1-c1ccc(C#N)cc1 1303050574 UJMXHNULEACBMA-QFIPXVFZSA-N 435.572 2.492 30 10 IEEE CC1(C)Oc2ccsc2[C@H](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@H]1O 1307790144 BXWBIYZWGKBEGF-ADLFWFRXSA-N 446.598 2.381 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 1312940673 SLLJYXSFYYAVEJ-HXUWFJFHSA-N 440.525 2.069 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1314853101 TZIAEGFJTIOQLS-UHFFFAOYSA-N 434.909 2.377 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1316140455 NQQDHBQOMQYSNJ-UHFFFAOYSA-N 440.479 2.278 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1316449205 HOOHGXBCVUELON-HNNXBMFYSA-N 426.550 2.483 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCOCC(F)F)CCN1C1CC1 1316538869 BEPZEGMIADUYLD-QGZVFWFLSA-N 434.466 2.466 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1358964637 CQSFBAFVYDWCGC-MBNRZODZSA-N 428.558 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1CCN(c2ccncc2)CC1 1358997466 UIMZKRMSENKWSY-UHFFFAOYSA-N 445.571 2.175 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1359202478 UINYSXVXUMBASP-MRXNPFEDSA-N 435.532 2.250 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1359298760 KYKREZVNBCFSFQ-HZPDHXFCSA-N 435.532 2.069 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1)c1cc[nH]n1 1444730128 CPOQHQXIQOAXOS-VIFPVBQESA-N 433.412 2.436 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cnc(-c3ccccc3Br)s2)CC1 1449058196 GRPQSCHBOWFDOM-UHFFFAOYSA-N 447.358 2.080 30 10 IEEE Cc1cc2c(NC(=O)[C@H](C)N3CCN(C(=O)OC(C)(C)C)CC3=O)n[nH]c2cc1C#N 1452833536 DAZNIOZAMYMXCY-ZDUSSCGKSA-N 426.477 2.149 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1452968449 DLHZIENENZPMIT-NRFANRHFSA-N 440.569 2.186 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1F 1453584969 YZZVSBWYHAEJOR-UHFFFAOYSA-N 444.484 2.496 30 10 IEEE COc1ccc(CN(C)C(=O)Cn2cc(C#N)c(I)n2)cc1OC 1459139582 BNFXJKAFKMYOQK-UHFFFAOYSA-N 440.241 2.035 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCOCCN(C)C(=O)OC(C)(C)C)c1 1460452538 UIWUMTJULABYFD-UHFFFAOYSA-N 432.521 2.131 30 10 IEEE CCN(CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1463248283 GJAHPNWTUHVJDO-HNNXBMFYSA-N 430.368 2.442 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC 1464544491 QYRCMFSJJMQZCT-GOSISDBHSA-N 444.575 2.037 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1464926665 QVGOJHHCASPUFY-DPPKGPFUSA-N 440.500 2.164 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)s1 1468305302 GIDGZIMTWZGFGG-CHWSQXEVSA-N 431.580 2.173 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)C1CCOCC1 1470867931 ZKTYJZUZSLFIES-ZWKOTPCHSA-N 449.548 2.047 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C1)C2 1471142924 DLLOTSRINRUFQO-JFIYKMOQSA-N 427.448 2.177 30 10 IEEE N#Cc1ccnc(Cn2cnc(I)c2I)c1 1473057142 URPHHQGMVLQXBL-UHFFFAOYSA-N 435.994 2.407 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 1475667811 VMQPOOMDBPWZAG-OAQYLSRUSA-N 433.574 2.052 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504572432 HMMXHTJJKXBRNG-AOIWGVFYSA-N 440.552 2.179 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCCCCC1 1507713395 IKJWLYPVEDOWFH-UHFFFAOYSA-N 445.589 2.441 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)C1 1507797194 RMQCVHKXOCNBAS-LAUBAEHRSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1508093250 BOTNDTBZZCIBKQ-FQEVSTJZSA-N 449.559 2.449 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccccc2F)C1 1508129540 RUDXZDBVKJHDLV-QFBILLFUSA-N 429.496 2.480 30 10 IEEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOCC1CCOCC1 1509216026 KIISANCTZQSXJS-OAQYLSRUSA-N 430.597 2.486 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@]3(C)CCCO3)CC2)c1C#N 1511661772 FLSRDQCITKARPW-JOCHJYFZSA-N 426.569 2.286 30 10 IEEE CCn1cnnc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1515795136 SGHVBDFTXHPMFO-UHFFFAOYSA-N 434.552 2.120 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(SC)CCN(C)CC2)CCOC1 1516129028 GPUWRCRPXYMTLF-LAUBAEHRSA-N 436.626 2.496 30 10 IEEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1518367390 VBOVUSURHVZIDI-LSDHQDQOSA-N 447.499 2.220 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](C)n2ccc(C(F)(F)F)n2)c1 1518827570 SRDORKDUKZKYCF-HNNXBMFYSA-N 434.418 2.336 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1521101231 ARELAEZNJJWALI-GOSISDBHSA-N 433.459 2.362 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1521154679 HYOBKCMIOKSCFW-OAHLLOKOSA-N 447.341 2.018 30 10 IEEE C=CCn1cc(CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)nn1 1529543667 HTRBEJIEQFVFGX-UHFFFAOYSA-N 427.324 2.097 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)[C@H]1c1cccnc1 1529752944 FPQXZMIVWWUYHK-JQHSSLGASA-N 429.274 2.123 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539071931 HHUCETKGBBHRAQ-SJLPKXTDSA-N 430.578 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CC)N1CCCC1 1539245713 JZKIYQWYRKEGSQ-FQEVSTJZSA-N 439.585 2.296 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)OC(C)(C)C 1539251639 LLNHRGGPYNFZER-UHFFFAOYSA-N 437.500 2.314 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccc2ccccc21 1539267179 XIBLKMUFTNMSOW-FQEVSTJZSA-N 435.553 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCO2)CC1 1539434622 QFKDSFOZHLPZPE-LJQANCHMSA-N 425.533 2.287 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C)c2)CC1 1539847404 FANIRKOVDQVAKR-LJQANCHMSA-N 431.562 2.124 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539917335 BOBFYVKBCHQAII-UHFFFAOYSA-N 425.581 2.461 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)C1 1540892376 KQFTUDHLPRMUBB-ROUUACIJSA-N 434.537 2.343 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555716512 WEMWHWQAMGOCDA-OAQYLSRUSA-N 435.532 2.046 30 10 IEEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1555950903 WTUPNBIUVRXIEF-OAHLLOKOSA-N 431.541 2.167 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(F)cc2F)CC[C@H]1C)c1cc[nH]n1 1558530335 CFCJZPDZUKEYLB-CQSZACIVSA-N 449.458 2.099 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1cc(F)c(C#N)cc1[N+](=O)[O-] 1559223196 BPINAAJWDAXAKC-UHFFFAOYSA-N 425.420 2.270 30 10 IEEE COC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561874338 BWRHNQIVLPRWSV-JTQLQIEISA-N 427.198 2.031 30 10 IEEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 1564999295 IXSIEOLKZYIJKT-MSOLQXFVSA-N 427.501 2.412 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1565437734 QOPWXTGCXGNCMP-LHHMISFZSA-N 441.536 2.109 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CN(c4ccc(C(=O)OCC)cn4)C3)n[nH]2)c1C 1567487626 AVOBOMLUFQDHEP-UHFFFAOYSA-N 449.515 2.266 30 10 IEEE Cn1nnc2c1CC[C@H](NC(=O)[C@@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)C2 1570816564 BGCFPRXVRSZQFI-JXFKEZNVSA-N 436.516 2.195 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(OCCO)CCC(F)(F)CC3)CC2)o1 1584942330 LAHCSYNRTLQJAZ-UHFFFAOYSA-N 426.464 2.144 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1587831546 POEBLBKIAWRQNM-IBGZPJMESA-N 436.516 2.134 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)C)n1 1588140423 XFBGKFKMTYHZBP-MRXNPFEDSA-N 431.587 2.076 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(C(N)=O)nc1 1588205676 QTQOVQFXMMIJAC-UHFFFAOYSA-N 435.491 2.498 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCOC1 1588985446 TXBOOPRNPAVSJI-MRXNPFEDSA-N 448.618 2.138 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1589069026 HPIRPAVNIKQWKB-RBUKOAKNSA-N 446.598 2.125 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC2CC2)CC1 1594036759 XIRCLYPEWSYMHR-UHFFFAOYSA-N 429.546 2.031 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1595297318 OTHZAGINWPNKAK-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(F)cc1)C(C)C 1595569416 HHCSGUNIXORJKL-UHFFFAOYSA-N 428.512 2.257 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCOC2)C1 1595744135 KGNUCBSOPJPXSQ-NZQKXSOJSA-N 428.533 2.407 30 10 IEEE O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCC#C[C@H]1CCCCO1 1606801492 LQBGNPFUNYXBRZ-GFCCVEGCSA-N 438.855 2.326 30 10 IEEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1614276995 ODULBEVJDHDEGW-DDKKJVIOSA-N 431.504 2.315 30 10 IEEE CN(C)C(=O)CCN1CCC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1615037920 AFVRWOFCYZBEGW-SFHVURJKSA-N 437.585 2.023 30 10 IEEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1615509781 QGUBPMVURZWULK-TZIWHRDSSA-N 429.561 2.232 30 10 IEEE CO[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1618941396 IJQQZNFBRYMROT-NVXWUHKLSA-N 434.541 2.361 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCNc2nccc(C(F)(F)F)n2)C1 1620347984 IIUGLPQRKKDVPB-PXAZEXFGSA-N 440.405 2.492 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3ncc(F)cn3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1624915594 BUYUCZHVXRDUSO-UHFFFAOYSA-N 426.301 2.186 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 1628767399 NSAJLSCSHYZOMV-CVDCTZTESA-N 430.549 2.327 30 10 IEEE Cc1ccc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1B1OC(C)(C)C(C)(C)O1 1636561517 BTSBBHAZQFZCQQ-HNNXBMFYSA-N 431.260 2.042 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc4nsnc34)CC2)cc1 1645284839 DWXOWNMKAAOKHK-UHFFFAOYSA-N 441.538 2.280 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N=c2nc(C)[nH]n2-c2ccc(F)cc2C)cc1 1647945621 RREVXXDFIHFCCX-UHFFFAOYSA-N 429.477 2.162 30 10 IEEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@](C#N)(c2ccccn2)C1 1647980832 MPERSOFKJYPIFG-QFQXNSOFSA-N 447.583 2.476 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 1648676122 FHEGJZAYBNMFON-UHFFFAOYSA-N 425.510 2.353 30 10 IEEE CC(=O)Nc1cccc2c1CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)CC2 1655302847 LPLXCYGBWVYGMQ-NRFANRHFSA-N 437.569 2.474 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)CC1 1669130477 DSWKOKSHPNRBDJ-GOSISDBHSA-N 442.541 2.444 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3cc(Cl)ccc3Br)C2)c(=O)nc1O 1683567108 CURFWZNCZNOWCN-UHFFFAOYSA-N 438.669 2.003 30 10 IEEE CN1C[C@@H]2CC[C@H](NC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)[C@H]2C1 1685722757 PXZICXYTCROAGG-JVPBZIDWSA-N 425.512 2.037 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3CCc4ncc(Br)n4C3)C2)nc1 1685777594 FBGUGIKRYJUORX-KGLIPLIRSA-N 431.294 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCCC1 1690025408 PBULPCBMLCCVSK-UHFFFAOYSA-N 446.599 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cc(C)cn1 1690029650 GWFZNFVLGDSSCN-KDURUIRLSA-N 437.548 2.327 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1690190414 UBGFSUXCUSGQFD-LVCYWYKZSA-N 436.626 2.145 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1690252531 GABWZZOAUKJRNG-MSYCTHLASA-N 448.564 2.301 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1690686626 QWORKBCDFCHVIM-YZZKKUAISA-N 445.539 2.405 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1([S@@](C)=O)CC1 1692547554 LRQBFCCMAHUFDB-PVQQOCSKSA-N 440.573 2.071 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCCO 1693248427 ZPMGFNFYSYVYQD-UHFFFAOYSA-N 447.543 2.246 30 10 IEEE CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)C1CCC1 1695551544 ZXVHEVYDPDPBFZ-APFMSCDFSA-N 436.520 2.276 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H]1CCCc2cc(OC)ccc21)[C@H]1CCS(=O)(=O)C1 1705561626 RXSUTEUTNHFAAS-MOPGFXCFSA-N 428.558 2.342 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1705611287 XBLNDBMCEGAKAQ-UHFFFAOYSA-N 435.532 2.220 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1705621991 UJWPSXVSMVMMCI-AUSIDOKSSA-N 438.532 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1705648014 NJWWHIHLQQAONY-CYFREDJKSA-N 443.592 2.079 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(OC)CCOC1 1705676766 OABMQDXQEGLQCM-NHCUHLMSSA-N 429.546 2.067 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705708619 FFNZOOLSFJKULG-QRFRQXIXSA-N 445.568 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1705935113 HONOLMSFPVFGGE-GOSISDBHSA-N 445.589 2.088 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1706937587 NOBGVLWUQOQOQL-SJORKVTESA-N 438.523 2.268 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H](C3CC3)N(C)C)CC2)c1C#N 1707807599 GMLWNRGHVVFECJ-HXUWFJFHSA-N 439.612 2.057 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(S(C)(=O)=O)cc1 1722285850 ZOKSPLGHAMUSLX-MRXNPFEDSA-N 445.589 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N2CCOCC2)CC1 1722286342 GRTHTXITJVMFKU-QGZVFWFLSA-N 425.533 2.285 30 10 IEEE C#CCCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1722321913 DGYQNBVGTOZMNQ-PKTZIBPZSA-N 442.564 2.219 30 10 IEEE C=C(C)CN(CC)c1nnc(COCC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722516777 DLGMJWJVJODNOF-ROUUACIJSA-N 425.599 2.421 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722532268 HDKMKPYBFRLNFQ-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1722667686 HUBZTEVCMCFDBD-NRFANRHFSA-N 432.546 2.333 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722701250 KOIDPGZIVKRYDC-QGZVFWFLSA-N 443.552 2.397 30 10 IEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1722703290 YORRWWYCIQEXPM-UHFFFAOYSA-N 433.578 2.486 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722706203 NFMSGBRIYNLXAU-ROUUACIJSA-N 441.532 2.316 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)COCCO1 1722948773 HRZUSERXESKMLJ-HSZRJFAPSA-N 439.564 2.265 30 10 IEEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1729240341 XAYRFVSVPMKZLF-HKBQPEDESA-N 440.529 2.282 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 1740573785 HQMPMVJJCPEJQY-FQEVSTJZSA-N 445.589 2.441 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740577845 QTKFEBRKPPHXAA-IBGZPJMESA-N 445.589 2.439 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1740640659 SIHIKFBHMHPFDC-UHFFFAOYSA-N 428.558 2.422 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC[C@@H](F)C1 1740684146 XFFSIPYQLQIOQD-DLBZAZTESA-N 448.568 2.462 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740716165 UCUWVEROAXXXLF-UHFFFAOYSA-N 445.593 2.350 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740791542 KPACDIVEHBOEKK-UHFFFAOYSA-N 442.593 2.331 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1740794755 HQRCHTZEMANXRD-QGZVFWFLSA-N 426.583 2.167 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740952278 YQJCDYHRKOGDRT-HZPDHXFCSA-N 445.495 2.249 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC[C@H](C)C2)C1 1740983841 QURIDBUUTDPBBH-XUVXKRRUSA-N 430.597 2.302 30 10 IEEE CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1746229308 KONPHVYJONAVEU-CYBMUJFWSA-N 434.547 2.489 30 10 IEEE CN(C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 1747518506 FSHMIBGCRWOYRW-LJQANCHMSA-N 449.559 2.310 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)c1 1748650728 CTRIDURXCDXGEZ-INIZCTEOSA-N 426.546 2.173 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748721993 RFLFRCPDDBKAPS-UHFFFAOYSA-N 447.543 2.268 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1748825217 WOXQFZSBJXNOAU-INIZCTEOSA-N 440.928 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1CCOC1 1748828480 FAPAJJWODWNDJV-GOSISDBHSA-N 440.573 2.046 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC1CCOCC1 1748914034 FCTIZVOMGKOMRM-UHFFFAOYSA-N 446.573 2.394 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1748949734 AIFGRMBPWMUDBS-UHFFFAOYSA-N 444.499 2.064 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1748989792 PDMSLASBEZBNMA-UHFFFAOYSA-N 449.647 2.050 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)[C@H](C)CC)CC1 1749009093 MOZSWZYUCIOMHE-LJQANCHMSA-N 437.592 2.345 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NCCC)CC1 1749335998 WIHSGAXDYUOQNM-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1749664073 WCWPLGNDZBKSQP-IBGZPJMESA-N 440.454 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)C1 1749708263 JBSYWVBHBXYSOO-RBUKOAKNSA-N 427.553 2.364 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749746899 PIDNNFFEODQJEX-HUUCEWRRSA-N 437.953 2.273 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1749980889 YYXSHOXJBKSVMH-UYAOXDASSA-N 449.559 2.084 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1750139750 QUZKBUWMACZADS-JLMWRMLUSA-N 442.495 2.451 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C[C@H]1OC 1750189933 CZNSKVIOGIRXLU-BGYRXZFFSA-N 427.505 2.005 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)(F)F)CCO1 1750389165 WXOMGERITLYTLR-HNNXBMFYSA-N 435.410 2.172 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1751099833 KDIXUNSFABVANR-MRXNPFEDSA-N 426.521 2.103 30 10 IEEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1)C(F)(F)F 1751184931 DZRJFXUDKMIXGD-AWEZNQCLSA-N 445.453 2.066 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCC)c1 1760111718 RRVFFDYJEFYIST-OAHLLOKOSA-N 434.500 2.262 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)C1(OC)CCOCC1 1760126640 FHBXQGARHOONHJ-IKGGRYGDSA-N 442.507 2.291 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccco1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760182115 GPPXUSKKSGESFD-OALUTQOASA-N 445.589 2.458 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 1760445893 YPANBWVBOPZKCG-UHFFFAOYSA-N 430.528 2.475 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C 1760528773 LZEFWMKJKBXTKP-KRWDZBQOSA-N 430.597 2.353 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)O1 1762435966 RERDZBWBUCRDKE-GHTZIAJQSA-N 429.546 2.399 30 10 IEEE CN(C)CCOCCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1766931881 DALGAXSNPZAWLH-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(F)(F)CO1 1767062453 UBZFHDKTFWJAFY-QGZVFWFLSA-N 430.459 2.446 30 10 IEEE Cn1cc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2Cc2ccc(C#N)o2)cn1 1767461182 SANAPYRSZXCGNZ-UHFFFAOYSA-N 434.426 2.266 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1=CCCOC1 1767634618 LXGICKJQFZHIEL-GOSISDBHSA-N 425.489 2.331 30 10 IEEE CN1C(=O)N[C@@H](C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CC2)C1=O 1768992825 UHOPTTBKQAOPQA-HNNXBMFYSA-N 447.421 2.146 30 10 IEEE COC(OC)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)c1 1769687634 ANUCFOZSXAAWKD-MRXNPFEDSA-N 426.521 2.450 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)n(C)c1=O 1769847677 YRYDRBKCTALMPY-UHFFFAOYSA-N 441.561 2.056 30 10 IEEE C=CCC[C@H](C)C(=O)O[C@@H]1CON(C(=O)CN2CCN(c3cccc(Cl)n3)CC2)C1 1851401585 WKUXEWJRCFAGEK-IRXDYDNUSA-N 436.940 2.145 30 10 IEEE CN1C(=O)CC[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)[C@H]1c1ccccc1 1852268946 DUCCDGQEXMSAQK-JTHBVZDNSA-N 447.539 2.228 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CCC[C@@H]3Cn3ccnn3)C2=O)c1 1853694394 PVNIJFWAUOFEDM-VQIMIIECSA-N 426.908 2.293 30 10 IEEE C[C@@]12CCC(=O)N1CCCN2C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1855820087 UNIMHIBBUYVMTI-AOMKIAJQSA-N 428.920 2.439 30 10 IEEE CN(CCC#N)[C@@H]1CCCCN(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1856430825 LLLHUHKTVKEETO-HUUCEWRRSA-N 428.480 2.384 30 10 IEEE CC(C)(C)NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858978121 WVHWUGACKQFZPT-UHFFFAOYSA-N 428.514 2.317 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(CC)nn2CC 1865225248 MVAOJFDIIOFPNK-GOSISDBHSA-N 426.517 2.176 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CC(O)C1 1870542240 OQDMOHQIWGJORO-NRFANRHFSA-N 449.592 2.059 30 10 IEEE C#CCOc1cn(CCCN(C)C)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871006197 UFPMKRKCEIJLAD-UHFFFAOYSA-N 429.517 2.450 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871540613 WBDWQCQMLZHNMO-UHFFFAOYSA-N 439.347 2.365 30 10 IEEE C=CCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N(CCOC)CCOC)n1 1871676189 MVGUXNADCTVJGV-UHFFFAOYSA-N 427.553 2.334 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N([C@H](C)c3ccc(OC)c(OC)c3)C2)CC1 1872912838 CYICMVGUBNRQSI-APWZRJJASA-N 443.544 2.154 30 10 IEEE CCOC(=O)c1sc(C2=C(N)N(CCCn3ccnc3)CC2=O)nc1C(F)(F)F 1873528437 YBHSZPDLAQBRLY-UHFFFAOYSA-N 429.424 2.137 30 10 IEEE CC#CCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883385582 CWFIZAZSNKIXGC-HXUWFJFHSA-N 427.478 2.416 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1890180469 NAAPVZCVHRWKRZ-SFHVURJKSA-N 438.557 2.230 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2033803253 MPDZQTFNGHLFJG-PKOBYXMFSA-N 432.370 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2044524600 GESAUOVYQGRBBT-SFHVURJKSA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(C)(C)O 2141671525 ZCWGLLVCMJVVLH-JOCHJYFZSA-N 449.357 2.374 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224120732 MUTPBCSDEZYVQH-INIZCTEOSA-N 433.358 2.311 30 10 IEEE C[C@H](NS(=O)(=O)N(C)Cc1ccccc1)c1nscc1B1OC(C)(C)C(C)(C)O1 2243687193 VSWMAOWBPYDPQY-AWEZNQCLSA-N 437.396 2.470 30 10 IEEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413700 ZJVDIOUEUODBDA-LBPRGKRZSA-N 441.359 2.311 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255595026 GPQRGXKPJAYARV-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CCN(CCN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255616374 ZWNPBEWZNCNVHL-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCC1 2255627336 RDNLOVUBCLKTPM-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1NC(=O)OC(C)(C)C 2255631793 DTVQEJWRDJZRQB-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCN1C(=O)OC(C)(C)C 2255665731 JQDQIMOPBCXUEK-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C[C@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)N(C)C(=O)OC(C)(C)C 2255821356 CHYWISVYFIUFDZ-CQSZACIVSA-N 436.362 2.095 30 10 IEEE Cn1cc(C(=O)NC2CC(COCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255834396 NDEJQYNOBYBSNI-UHFFFAOYSA-N 425.338 2.445 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929195 NWDRQQARDKFDCO-ZFWWWQNUSA-N 446.334 2.231 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258225879 LRGSQWDBLHQHDG-LLVKDONJSA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098377 YSSSOIKYHRGPSM-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127763 LTTBHEVAPWHGMH-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267132183 MNLMGOTZCQBDMB-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267173746 OYRCPKJVAIBEDG-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 2267185116 QQTKHVSISCBDPI-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267217826 MPNDILNMKUCVKZ-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267260448 NXPPFCKNJHPCDK-BHYGNILZSA-N 445.369 2.310 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267261853 XTOGNFVAJMOZAN-UHFFFAOYSA-N 446.353 2.134 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267288780 GXPYERGTPYECPR-YRGRVCCFSA-N 444.259 2.496 30 10 IEEE CC(C)[C@@H]1[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267515045 IQYPKEYGHOSPDA-JKSUJKDBSA-N 448.373 2.473 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2267548690 HOPGNJMKKPPXND-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267587771 CBVPDVPULLMVLY-SFHVURJKSA-N 446.353 2.352 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268637541 DBQUXTXBBQEVJS-GOSISDBHSA-N 448.369 2.484 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(C)(C)O 2268654586 BGPSBOAHZNIFQQ-QFIPXVFZSA-N 449.357 2.374 30 10 IEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2269012817 ZTFDXKPILALGDW-GOSISDBHSA-N 441.289 2.091 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCO)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 2296562410 OFPOLQKZYPIAOS-IBGZPJMESA-N 443.452 2.135 30 10 IEEE CC(C)(C#C[C@H](NN)c1cc(Cl)ccc1I)S(C)(=O)=O 2365178545 KGLVIMBADVPPEB-LBPRGKRZSA-N 426.707 2.276 30 10 IEEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)NCCc2ccccc2Cl)n[nH]1 20424126 JAWTWXHQAYGUAJ-ZVBGSRNCSA-N 432.941 2.397 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cc1O 21316902 YJPSSNSYNMZRCU-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 111224412 PKVCLKGUELTASR-KRWDZBQOSA-N 447.333 2.128 30 10 IEEE COCCSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)[nH]1 253569571 MMDSKKITQUFCFF-KGENOOAVSA-N 442.549 2.320 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)CCc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 431247267 NJYLOEKGEBKFRJ-QFIPXVFZSA-N 428.510 2.489 30 10 IEEE Cn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447783062 MAVKGEYZALVXAR-UHFFFAOYSA-N 448.454 2.297 30 10 IEEE CSCC[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 460272042 UGSWEQYMSKDORW-GUDVDZBRSA-N 429.542 2.350 30 10 IEEE COc1cccc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CCO2)c1 484820534 LXDMNIFSYRJZOU-HXUWFJFHSA-N 429.498 2.101 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508461115 ISBKYBUHQYFFER-UHFFFAOYSA-N 428.968 2.453 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 533479941 QPKPPQWEGVJCJD-UHFFFAOYSA-N 446.511 2.107 30 10 IEEE CN1[C@H]2CC[C@H]1CC([C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(Cl)cc1)C2 548981795 LZXPTAXJFPKMEZ-HAGHYFMRSA-N 438.981 2.313 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 549724672 YXGLONFEPULXML-MSOLQXFVSA-N 425.537 2.049 30 10 IEEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 549795412 IIFAUKGXLVDNMX-HXUWFJFHSA-N 444.511 2.130 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 560989496 SNKZCZUMMZCHHS-UHFFFAOYSA-N 425.452 2.041 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 581754662 YSSOESJHYNYEBO-UHFFFAOYSA-N 432.532 2.361 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 603797739 GCNVQZXSAQSNJB-QGZVFWFLSA-N 437.546 2.292 30 10 IEEE COCCN1CCC[C@@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 609046019 FFRLFBVDTCUCEN-GOSISDBHSA-N 426.477 2.213 30 10 IEEE COc1cc(N2C[C@H](C(=O)NCc3ccc(C#N)cc3F)CC2=O)cc(OC)c1OC 609228753 FCIHNKUNAHRWCG-OAHLLOKOSA-N 427.432 2.392 30 10 IEEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccc(S(N)(=O)=O)cc1 618198579 DPMWDHASTAVFDV-AWEZNQCLSA-N 447.948 2.452 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 670214176 WHSNQUVXRXWUPW-HNNXBMFYSA-N 435.550 2.056 30 10 IEEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)s1 679753019 ILYPLTFQEARJKU-UHFFFAOYSA-N 443.594 2.016 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CSc2nnnn2CC(F)(F)F)CC1 730047761 AJQSBXIJCFEZQB-BGMSHATGSA-N 448.471 2.190 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccco1 730137693 HJASWPBMKKTOHT-GOSISDBHSA-N 430.530 2.488 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1 732696286 BCEHPOGPZWJPOE-QFBILLFUSA-N 431.562 2.311 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CCN1C1CC1 732707382 ZQFUKXIEIJBONH-QGZVFWFLSA-N 443.935 2.103 30 10 IEEE Cc1ccc(S(=O)(=O)NN=Cc2ccccc2OCC(=O)NCC2CC2)cc1[N+](=O)[O-] 734744835 YAYJNERXBUGCEV-UHFFFAOYSA-N 446.485 2.121 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)C2CCOCC2)n(-c2cccc(F)c2)c1C 740973281 RQXCNIQYVQIUOL-HXUWFJFHSA-N 429.448 2.374 30 10 IEEE C=CCn1c(C)cc(C(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1C 746741943 FJQFXSCNGPFUPU-HSZRJFAPSA-N 449.507 2.493 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1C#N 747497657 HXIHYSDZPLMIOC-UHFFFAOYSA-N 441.919 2.227 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CO)c(F)c2)cc1 749194542 VBZODPCYZQHBIX-CLCOLTQESA-N 434.493 2.453 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 754926871 WYOOTDBFDWJXLC-QGZVFWFLSA-N 445.520 2.448 30 10 IEEE CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 757719875 FPCQBBFPNBFKTF-DZGCQCFKSA-N 434.497 2.062 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)C1 760296831 QFMHYARBFBTBIK-RHSMWYFYSA-N 447.536 2.230 30 10 IEEE CSCC[C@@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760404704 HUQRKCSLKUYFKH-CQSZACIVSA-N 427.548 2.051 30 10 IEEE C#CCN(C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1)[C@H]1CCS(=O)(=O)C1 774195248 GFPVZXJGCODLOO-SFHVURJKSA-N 432.542 2.449 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)c1OC 780023261 JOLLXDNKEJYHKE-WZONZLPQSA-N 439.468 2.470 30 10 IEEE C#CCN(C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 780772710 GBAJHPFJBQHJJR-LJQANCHMSA-N 447.557 2.269 30 10 IEEE CCN(C(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl)C(C)C 787492770 HXVZDJOEDKNWEM-QGZVFWFLSA-N 445.951 2.348 30 10 IEEE N#Cc1cccc(C(=O)NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1 788076526 WCKOJRBTZINONH-UHFFFAOYSA-N 428.195 2.487 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccsc1 790433634 MGOLLECNUXWBJL-UHFFFAOYSA-N 447.545 2.269 30 10 IEEE C=CC[C@]1(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CCCN1C(=O)OC(C)(C)C 790719441 VVHMYPBZWPPSOH-UJUVCNOISA-N 434.537 2.169 30 10 IEEE COC(=O)CC1(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCCC1 791784038 RBXPWGHKGBAFIP-QJOMJCCJSA-N 436.534 2.497 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ccc1C 803923402 MNSXOJXGRGHAQM-UHFFFAOYSA-N 445.472 2.127 30 10 IEEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 812272535 KLTFNWRBEPWWSY-XKGZKEIXSA-N 443.573 2.194 30 10 IEEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccc(F)cc1 812748375 SBHSUIOGVGCYOB-DLBZAZTESA-N 448.472 2.239 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccc(F)cc1 812938583 OVLWFVRHSPOROU-GOSISDBHSA-N 425.489 2.097 30 10 IEEE N#CC1(c2ccc(C(=O)NS(=O)(=O)CCNC(=O)OCc3ccccc3)cc2)CC1 813977260 LYJGNKZHDHTMTA-UHFFFAOYSA-N 427.482 2.228 30 10 IEEE O=C(CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1ccccn1 1084304067 JKDCVEUTWRFATK-UHFFFAOYSA-N 428.434 2.380 30 10 IEEE N#Cc1ccc(OCC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1Br 1124173425 LVMSWKCYNUAZSF-UHFFFAOYSA-N 449.305 2.070 30 10 IEEE C[C@H](C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1137430647 YAOPSJMRKVXVLT-KSSFIOAISA-N 427.505 2.428 30 10 IEEE CCC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCN(C(=O)c2ccccc2)CC1 1151224173 BPLANNGYWQIWPO-UHFFFAOYSA-N 436.516 2.389 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)C[C@@H](O)c3ccccc3)CC2=O)cc1Cl 1153511604 GGYJHEFTDCCLJB-MBOZVWFJSA-N 427.888 2.165 30 10 IEEE C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1154018169 VRTBKLCHZSXMCQ-LALPHHSUSA-N 433.452 2.072 30 10 IEEE C#Cc1cccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 1167337433 RRAGFERXURDAQE-UHFFFAOYSA-N 425.554 2.254 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OCC 1171440196 QXNSXKGYKNKBCX-AAEUAGOBSA-N 426.926 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CC=CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1174882507 ARXCWDVMJLVMSM-KRWDZBQOSA-N 431.562 2.481 30 10 IEEE N#Cc1ccc(CNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)s1 1248450920 QQTPBYVPHQIUPD-INIZCTEOSA-N 430.505 2.276 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1286321718 ABLMNFGCOHPBCB-ACBHZAAOSA-N 437.610 2.429 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1286377618 ZOLIMOSFOPGEKW-KRWDZBQOSA-N 442.520 2.108 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286387366 QFWDTKLPBPFIAK-SJORKVTESA-N 446.598 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CCN(c2ccccc2OC)C1 1286408131 DFUHGAFQENXANV-IBGZPJMESA-N 427.512 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1286439263 MVCKXLCSVKRFAL-UHFFFAOYSA-N 444.539 2.182 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1286493649 WSCQSTNYYZSZSL-CYFREDJKSA-N 444.624 2.291 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1286542857 DCSKTLRPQGCXNM-MRXNPFEDSA-N 437.386 2.374 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1286635035 IDESJTJFMJPLDI-UZLBHIALSA-N 425.961 2.424 30 10 IEEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286684169 FWBBOFQLDJYIQZ-UHFFFAOYSA-N 441.536 2.420 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1286713259 WJJHINIODIFDPF-UHFFFAOYSA-N 439.564 2.241 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286819156 BTMMDMTZVUBMTL-MRXNPFEDSA-N 439.582 2.250 30 10 IEEE C[C@@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1)C1CC1 1288896055 HIVRWIYYTRXBJY-OAQYLSRUSA-N 429.546 2.250 30 10 IEEE Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c(O[C@H]2CCOC2)c1 1289676201 BFLKGDMLAODYJU-NEWSRXKRSA-N 438.532 2.492 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291152921 WLOXKLDPXNIXBT-DPHDRGAJSA-N 437.460 2.226 30 10 IEEE COC(=O)Cn1ncc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1C 1296688057 PGDWGGAOBRMRAH-UHFFFAOYSA-N 432.278 2.074 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1296984811 XODDPRHZTXPCCN-ZBBYCGENSA-N 430.553 2.398 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1300272514 NGUPYNGROCJDAQ-IZPCHGGPSA-N 433.965 2.231 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1300440283 RYCDDYAFFBOLRU-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1300805997 NIMUWHAHFMNQGN-DYESRHJHSA-N 435.594 2.039 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)CC1 1301124426 IDHXDFLQMCCSDG-QGZVFWFLSA-N 425.599 2.450 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301173196 CWRIPUWKIQQWDL-SFHVURJKSA-N 436.520 2.384 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1301426119 NQWXGSPQFWSFSR-QZTJIDSGSA-N 449.596 2.118 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)OC)C1 1301555013 QZVCOJXNVSGVNG-IRXDYDNUSA-N 438.532 2.491 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 1303900808 QTJHEPFIEINFDG-INIZCTEOSA-N 445.570 2.125 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)Cc1ccc(Br)cc1C#N 1306823996 GEXIHIPCSGHUDO-UHFFFAOYSA-N 426.311 2.209 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1313619184 JYUWAZNAUHAPDD-KRWDZBQOSA-N 449.602 2.495 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)C1 1314041517 DHAOMQJBYXBLKI-SFHVURJKSA-N 442.520 2.480 30 10 IEEE CN(CC(F)(F)F)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1314718674 ZAMBZTVGQMBTFN-NXVVXOECSA-N 440.451 2.455 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1314728907 HSLKVOIYQZMBJL-LJQANCHMSA-N 435.532 2.140 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@H]1CCOC1 1340952353 QYEWWARMGDRHIN-QGZVFWFLSA-N 434.561 2.307 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1349209295 WVOHNACEXSPOSF-GFCCVEGCSA-N 433.262 2.411 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1358934791 NHCWCXXIBCZMON-GOSISDBHSA-N 430.505 2.036 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358959338 GYBRCYIKCPBYFT-HZPDHXFCSA-N 434.949 2.404 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1358960334 CANXGBUDWAMBHK-ROUUACIJSA-N 445.614 2.499 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(C)c2ccccc2)CC1 1359038195 NCYBXAATBDZRCY-JOCHJYFZSA-N 446.603 2.420 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1359269104 OUVRMTXFIFDNFY-UHFFFAOYSA-N 435.536 2.262 30 10 IEEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359287351 YHHBXZRHPGDYOL-LJQANCHMSA-N 431.562 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(C)o1 1359331544 CAIVWSNGWXKJRC-HOTGVXAUSA-N 433.534 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359335337 IQPIRAHOGGJXPU-DYESRHJHSA-N 440.610 2.403 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359516477 AVBJQAFENRROKR-FWSRSQSESA-N 430.553 2.353 30 10 IEEE CC(C)CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359958880 KXMSXVJSFTVWJR-HXUWFJFHSA-N 437.548 2.483 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCn2ccnn2)CCOC1 1360341140 LEPNFNYUDXOKSS-LEWJYISDSA-N 428.541 2.131 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)cc1 1437478875 JULXNZFGCNXMSH-NVXWUHKLSA-N 439.434 2.481 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1450329276 QHOUYORPCBYDJS-OAHLLOKOSA-N 429.336 2.254 30 10 IEEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1455093016 MOPVSDIPXVAOKL-PXAZEXFGSA-N 441.431 2.251 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(Cc2cc(F)ccc2Cl)c1 1461070704 FCONCIIMOJSMRI-UHFFFAOYSA-N 447.879 2.401 30 10 IEEE COC[C@]1(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CN(C(=O)OC(C)(C)C)CCO1 1466609284 MOUOZPKELMKPNL-XXBNENTESA-N 445.516 2.111 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)s1 1467604274 XQPFURFJZLOEFI-INIZCTEOSA-N 447.582 2.266 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCCCC)CC1 1470805334 PKVUKWKYJPUFSA-INIZCTEOSA-N 430.977 2.083 30 10 IEEE C#CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C1CCN(C(=O)OC(C)(C)C)CC1 1471881794 QORLAYBDZCKMPS-WBVHZDCISA-N 439.553 2.122 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1)C(=O)OCC 1475580323 YHOBMEBNCQQDSS-MRXNPFEDSA-N 432.901 2.414 30 10 IEEE Cn1cc(CNC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 1478419172 YFFREYMOKVLJPI-LJQANCHMSA-N 427.530 2.067 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1496474171 ADEJIWQHEBPKLS-YSIASYRMSA-N 443.573 2.374 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1505101641 DXLKQDZOUNRHKV-MRXNPFEDSA-N 427.486 2.087 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1505136077 AHARQKPNWOBYTA-AEFFLSMTSA-N 432.525 2.037 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507572350 GZXXDIAYGYPXKR-GOSISDBHSA-N 438.532 2.361 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1507626803 PCUDNCVLVFXOOY-XMSQKQJNSA-N 446.573 2.132 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507628688 HXIMWZCTARNJGN-KKSFZXQISA-N 432.521 2.280 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 1507733959 PBFDCITWKDSTIA-UHFFFAOYSA-N 432.569 2.282 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)OC(C)(C)C)CC1 1507742971 UEYHUFVFPFJEJB-UHFFFAOYSA-N 446.596 2.357 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507750956 IUJGJHMOSAZCSP-RBUKOAKNSA-N 431.606 2.281 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)CC1 1507786534 XVKCKUYAWFNUPX-INIZCTEOSA-N 440.386 2.382 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC(N)=O 1507808642 YVJSGOKSPZXJCL-YVHKJVDXSA-N 437.548 2.198 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1507845233 BYCPJRZSJZEBSF-IBGZPJMESA-N 427.505 2.085 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1507972769 ZDLDARDCRZFZJM-NRFANRHFSA-N 438.576 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)[C@H]1C 1508094447 YAGZEKOHPUXJLE-CRAIPNDOSA-N 427.505 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(C)(C)C)CC1 1508140582 IXNXSBBEIXSJJY-KRWDZBQOSA-N 425.599 2.041 30 10 IEEE Cc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)sc1C 1510425545 HTZWNWXZEGNSSD-MRXNPFEDSA-N 434.591 2.432 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1(C)C 1518638866 WNZGUJHQSUIOCQ-LJQANCHMSA-N 436.520 2.272 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCCC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1519289071 AFBAXJAZHRKEIN-MXLIYFDZSA-N 446.552 2.155 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 1520701883 LEBTXXQXWYIFIV-HXUWFJFHSA-N 432.571 2.069 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1csc(I)c1 1525459763 OUVBGUMRIHIHKL-UHFFFAOYSA-N 429.243 2.036 30 10 IEEE Cn1nc(I)cc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1537813586 HWLJMELXVXHSJV-UHFFFAOYSA-N 449.296 2.291 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)cc1OC 1538122727 GMAIFEFSHVUHPW-INIZCTEOSA-N 449.451 2.065 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC(CN3CCNC3=O)CC2)nnc1-c1ccco1 1538537519 DCDDZSBQQGSLEF-UHFFFAOYSA-N 444.561 2.470 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1539029023 GQIGZMXHYSPGQI-MRXNPFEDSA-N 427.530 2.011 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(CC)CC)N1CCOCC1 1539337860 NIDYRBIARWYGLQ-HXUWFJFHSA-N 430.597 2.111 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1539347472 UVCNHVDZEDYLTP-UHFFFAOYSA-N 442.321 2.320 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2Cl)C1 1540895549 VATJHUYBIJKTDF-MRXNPFEDSA-N 446.939 2.309 30 10 IEEE C=CCN(C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@H]1CCS(=O)(=O)C1 1542216746 BUHABAUYNXCKDZ-SFHVURJKSA-N 438.505 2.298 30 10 IEEE CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1546604671 RFIHOIBGZDGIFE-YLIUKNOZSA-N 435.532 2.415 30 10 IEEE COCc1nocc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC#N 1555330917 SOSNOGJQVBYDMV-ZDUSSCGKSA-N 429.506 2.191 30 10 IEEE COCCOCc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555710834 UCFPGLUUKMEZNX-QFIPXVFZSA-N 448.527 2.204 30 10 IEEE C[C@H](C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1556163119 PZSQFZPJWGJDOL-KXBFYZLASA-N 441.532 2.439 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1557720798 DVMYZGXHBHAASA-PBZHRCKQSA-N 446.429 2.167 30 10 IEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 1558165478 TXONORJBLSKXKK-UHFFFAOYSA-N 438.355 2.341 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2C1 1561844317 FZBSBHPRLYVBDU-UHFFFAOYSA-N 430.555 2.035 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OCC 1561876802 XNFRRYKHNQMTSC-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3n(n2)CCC[C@H]3O)CC1 1585533933 GDEZFHZKTRQQLV-RTBURBONSA-N 444.333 2.495 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1587010883 KUEKXRCXZJZGNC-CQSZACIVSA-N 427.452 2.027 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1587562409 OUJPGEFCBYAPMI-CVEARBPZSA-N 429.496 2.297 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1587777694 NMTDQCSOOJAMEH-UHFFFAOYSA-N 430.578 2.169 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1C1OCCO1 1587921781 JBRVYGPYQMZLTF-QHCPKHFHSA-N 426.517 2.482 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588029015 BYUZEUNTHOHGHQ-KRWDZBQOSA-N 432.546 2.116 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 1588984654 INYFGUULWBUJNA-CQSZACIVSA-N 425.555 2.030 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1589088889 LMVOGUYTOVILJH-GOSISDBHSA-N 426.590 2.323 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1589215885 HFVXJGLFAPGNMA-BEVDRBHNSA-N 434.587 2.142 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1589530531 WJIZSGPOINKBQI-PXNSSMCTSA-N 427.553 2.109 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1594003998 PKBJKWTTWAUMMC-UHFFFAOYSA-N 427.496 2.404 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1594227030 YKADLBKIISYFMD-UHFFFAOYSA-N 441.561 2.037 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1594448845 NRSSMZDCZIFOLZ-UHFFFAOYSA-N 427.509 2.416 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1594608132 GBLFUJDHXRQIET-UHFFFAOYSA-N 425.537 2.167 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595476874 OLUCGPLYHNXHLP-FDDCHVKYSA-N 438.532 2.153 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1595516200 BGYJBHDYZJIZJU-GOSISDBHSA-N 433.285 2.452 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1610894617 LCYAJNLRVMDHRY-QFIPXVFZSA-N 428.537 2.362 30 10 IEEE Cc1nc(C)c(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1612381085 AVPRWEHAGNFGEQ-DYESRHJHSA-N 446.577 2.364 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1 1613011960 YOTDATBIEDYOFC-AZUAARDMSA-N 441.532 2.397 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCCC#N 1613848192 VKTJPNSLOCMTBH-UHFFFAOYSA-N 440.591 2.139 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1615093151 AVEBOZCYAHZSTE-OAHLLOKOSA-N 449.481 2.368 30 10 IEEE C[C@H](C(=O)N(C)CCC#N)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@@H]2[C@@H]1O 1616134276 LASZHOMWXMJRPL-AHHNAKARSA-N 441.576 2.406 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1616222070 ADGXMTNBLZPLCU-VXKWHMMOSA-N 432.569 2.223 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)s1 1616429933 XMBKGHGJXLWOEJ-AWEZNQCLSA-N 441.525 2.428 30 10 IEEE CCOCc1nnc(N(C)Cc2cccc(F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1616688835 ALUNSDJJBIPLSF-VXPUYCOJSA-N 428.468 2.117 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1617698392 ZUOLLYJDZHOXHB-FQEVSTJZSA-N 448.575 2.197 30 10 IEEE COc1cccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1619377502 ZHXZTHKNRSIEPZ-IAGOWNOFSA-N 447.561 2.396 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1COc2ccccc2O1 1619989565 HEPFSOUEGIVPFX-XFQAVAEZSA-N 431.468 2.284 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1628510723 KKKQRCTUUPXXFU-QGZVFWFLSA-N 431.470 2.208 30 10 IEEE COc1ccc([C@]2(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)C[C@H](O)C2)cc1 1629710549 XIGZXFOYIVHLMH-FEHRVWHQSA-N 445.523 2.476 30 10 IEEE CCS(=O)(=O)N(C)CC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1633547641 PGASNBPABVDJGN-UHFFFAOYSA-N 432.351 2.359 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)n1 1639992379 WLWDOTIKPRYTAU-UHFFFAOYSA-N 433.852 2.325 30 10 IEEE CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1640247751 IATQFXNWWFYPSB-OAHLLOKOSA-N 428.514 2.250 30 10 IEEE CCn1c(SCC(=O)N[C@@H]2CCN(O)C2=O)nnc1-c1ccc(Cl)cc1Cl 1641379296 UKLCWCARTJWBGG-GFCCVEGCSA-N 430.317 2.470 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3cnn(-c4ccccc4)c3C2)s1 1641770015 JVHBNVXZOMHACV-UHFFFAOYSA-N 428.539 2.483 30 10 IEEE CC(C)C[C@@H](C(N)=O)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1644281422 PUILTELZVWTGQZ-UZLBHIALSA-N 429.565 2.188 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1c2ccccc2CC[C@H]1O 1647730303 ACDDGQIFKJXQGF-SBHAEUEKSA-N 441.553 2.449 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(c2ncc(Br)cc2C#N)CC1 1651360218 UWFKOLHUDOFYOU-UHFFFAOYSA-N 442.383 2.347 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1)C1CCOCC1 1656100150 XYQVUFQAJHIUJA-INIZCTEOSA-N 430.320 2.333 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)nn1 1669870292 SPILTKLHBSGNRG-UHFFFAOYSA-N 448.526 2.019 30 10 IEEE C#CCC1(NC(=O)NCC(=O)Nc2ccc(I)cc2)CCOCC1 1672652976 RQTBOAXYLHMCJT-UHFFFAOYSA-N 441.269 2.101 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689888428 IPXPKLKETTUHMS-ZWKOTPCHSA-N 428.537 2.090 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1689927908 FCFXTAVVASIOLA-LJQANCHMSA-N 440.523 2.113 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689984114 LLHAUIWGRNOQPG-YLJYHZDGSA-N 429.590 2.084 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1ccc(NC(C)=O)nc1 1690099020 ZSBDEHVZFSDSOB-UHFFFAOYSA-N 434.500 2.441 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)NCC)CC1 1690177168 MAACUKDXCDHXGN-UHFFFAOYSA-N 426.590 2.395 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1690184712 NVHLILJPADGTGK-INIZCTEOSA-N 430.530 2.231 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1690224172 FBFTVOJILNYXQF-UHFFFAOYSA-N 427.310 2.365 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCNC(=O)C1CCC1 1690244106 TVGPKKNAHRGWEO-AZUAARDMSA-N 441.580 2.402 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690670989 MXJQYYPDRRHYGQ-HUUCEWRRSA-N 431.459 2.022 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1690672633 YJEKWPRNIHSLNH-UHFFFAOYSA-N 444.967 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(COC)CCOCC2)C1 1690710953 ZHVTTZWRLVIJBD-FQEVSTJZSA-N 427.549 2.488 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@@H]1CCOC1 1691811395 NKCQYAIVRZXVLV-INIZCTEOSA-N 426.521 2.380 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C 1693705001 GWWJGFQIRPIQAS-NUJGCVRESA-N 428.562 2.333 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CCCO)CC3)n2Cc2ccc(C#N)o2)CCOC1 1696047816 BBFXYBXKOQGOMN-QFIPXVFZSA-N 429.521 2.432 30 10 IEEE CO[C@H](CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(F)(F)F 1697141636 KZIXZXUWZODGMT-HDMKZQKVSA-N 447.458 2.015 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1c(C)cccc1C 1698172123 VEPVLCBGLPEECQ-RTBURBONSA-N 429.521 2.427 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CCCN2CCCO)c1 1705505401 NJWBMPPTHMAHPW-OAQYLSRUSA-N 436.560 2.059 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705529332 FNKKROLBABKCOI-FQEVSTJZSA-N 437.592 2.220 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1705552522 BYASSDWWHNKDMS-QGZVFWFLSA-N 435.532 2.164 30 10 IEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1705559517 BTJWHAYCDLMIDH-MJGOQNOKSA-N 436.578 2.129 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1705570824 RTTAHGGBXGLSTG-QZTJIDSGSA-N 434.606 2.310 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(N2CCOCC2)CC1 1705629350 FQORLSTYXOZSRR-UHFFFAOYSA-N 445.514 2.098 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(O)CC)CC1 1705636787 XRDBPEBXFRROJE-QHCPKHFHSA-N 427.549 2.269 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705660040 LPYXAPBVTHSDDS-RTBURBONSA-N 433.622 2.228 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705664054 IUWRRZTZYZRIPM-HXUWFJFHSA-N 439.585 2.215 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1705714173 HNRZQNYJHOIGEK-QFIPXVFZSA-N 440.573 2.462 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705725207 OBMVEIMWSDQXOP-QGZVFWFLSA-N 449.552 2.398 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705736289 PWIIYTCWNJZSNN-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760881 VCAVBASLVJEPIQ-RTWAWAEBSA-N 439.988 2.372 30 10 IEEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1706633626 BKBZLVFSAJUIJJ-UHFFFAOYSA-N 449.515 2.429 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706745166 VIWCVODEDGBJMX-UWJYYQICSA-N 443.573 2.036 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)C1 1710375076 CIYROQBYFQIANL-IBGZPJMESA-N 442.520 2.195 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1710835318 ZHSLBFXVEJEAMR-LJQANCHMSA-N 426.521 2.118 30 10 IEEE CN(C)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1710998811 ARKBJUNHOZJOOO-SFHVURJKSA-N 425.493 2.456 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1=CCCOC1 1712452573 KMHBQDLSKICQOG-UHFFFAOYSA-N 445.545 2.062 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1722296901 VVTNEXTULZWZLV-BEFAXECRSA-N 430.530 2.073 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)c1 1722310559 WVBJPZKYGRJWCO-UHFFFAOYSA-N 440.467 2.248 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722346873 BEMSPGOOWLBTDG-KRWDZBQOSA-N 429.956 2.006 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1722365576 FREMSTFLYMFYQE-INIZCTEOSA-N 438.500 2.425 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1722409946 KWDZYUSHTUHUFS-HXUWFJFHSA-N 432.576 2.349 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722534539 QYAPUXZDLSTTFY-UNMCSNQZSA-N 440.592 2.404 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1)C1CC1 1722650903 NWXKEOOQQOCOLQ-LPHOPBHVSA-N 441.623 2.052 30 10 IEEE C=CCN(c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1722651843 ZRRLWVNFVKHQII-OAHLLOKOSA-N 437.591 2.285 30 10 IEEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722651975 XTNSCHNTTVVVBL-OAHLLOKOSA-N 436.607 2.070 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1723304403 ILYOXRZDHLQKHM-HXUWFJFHSA-N 431.516 2.173 30 10 IEEE CCNC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1728677580 YNCXQHBVXWDVQY-UHFFFAOYSA-N 437.479 2.372 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N 1729220743 DONUJCWQLBGJIE-GFCCVEGCSA-N 428.921 2.415 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC(=O)N1 1729564320 DVTUXEATJWZGPD-CQSZACIVSA-N 446.353 2.455 30 10 IEEE COCCCN(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1730692037 XYABEAYRPYOYTE-DENIHFKCSA-N 444.511 2.201 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1730999588 AHJUNLIVKRAFJU-XLIONFOSSA-N 433.509 2.164 30 10 IEEE C#CCN(c1nnc(C)n1CC1(c2ccccc2C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740617002 KDHHAPNCGCYORF-FQEVSTJZSA-N 442.585 2.270 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CN(C2CC2)C1=O 1740647628 RYVDJJIUJPMRBL-QHCPKHFHSA-N 432.484 2.327 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCC(C)CC1 1740688362 PIFMGENMBWSZDS-OAQYLSRUSA-N 427.597 2.346 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2ccc(F)cn2)n1 1740688969 MQPRLFNHCDLUTM-UHFFFAOYSA-N 446.490 2.405 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740718968 FAJVMLICLMFCDC-RBUKOAKNSA-N 439.585 2.301 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740888741 VONUTPTVNBHQCK-UHFFFAOYSA-N 432.613 2.204 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1740930804 PXWXEKPVFQAXEC-UHFFFAOYSA-N 425.624 2.493 30 10 IEEE Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1742840769 KCXTZZTUJLSVEU-CYBMUJFWSA-N 446.415 2.493 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C 1743196596 DHGFXZNFBBKDFX-VQIMIIECSA-N 433.516 2.380 30 10 IEEE Cn1cccc1-c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1748034594 AEURMRZHFIVUKL-QGZVFWFLSA-N 428.518 2.200 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C 1748681764 JSKYDYIORCFKKQ-INIZCTEOSA-N 428.562 2.188 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCO[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804936 MPYQTWDHPVSTIP-ACRUOGEOSA-N 428.558 2.381 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748815982 VCJZJHCMTSSMBK-UYAOXDASSA-N 433.622 2.294 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC1(O)CCOCC1 1748914511 GAGOEBAAZSXNKY-UHFFFAOYSA-N 444.532 2.362 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCCCCC1 1748950216 LLTNMNRSNDLAER-QHCPKHFHSA-N 434.581 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ncc(CC)s2)CC1 1749009247 NNMVMZFATOWJEM-UHFFFAOYSA-N 435.557 2.373 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749029133 LEUFNJACVZFYCB-SFHVURJKSA-N 435.513 2.453 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1749144028 RGYGDDATBGEBIX-QGZVFWFLSA-N 440.614 2.083 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749187672 GHDVXBGECKAFRE-UHFFFAOYSA-N 438.580 2.082 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749311837 YGXQGFFBLNAQIO-KRWDZBQOSA-N 449.552 2.434 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1760114592 PEGCHEIJJMCQIA-CQSZACIVSA-N 446.515 2.405 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@@H](C)C2)n1 1760252225 LGGVRSSEXIOXPU-HBFSDRIKSA-N 439.564 2.148 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=C)Br)CC1 1760261284 JYHJDSHOWYKEHE-SFHVURJKSA-N 444.333 2.454 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN2CC)CC1 1760271803 MPBIDPGGGPNQCW-NRFANRHFSA-N 426.609 2.461 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760356453 NXKAFLAQLLHHPK-PMACEKPBSA-N 444.624 2.375 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1760480695 CFGVNRUHRBFRFT-NQIIRXRSSA-N 448.614 2.241 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CC)C1 1760562090 WWCQLCNERIKMLB-SFHVURJKSA-N 426.550 2.455 30 10 IEEE CC(=O)Nc1ccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1760630285 CWZGSQAGBDXRDU-OPAMFIHVSA-N 441.536 2.459 30 10 IEEE CC(=O)Nc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c1 1760631947 GXGASUCAUQYOBI-LJQANCHMSA-N 437.529 2.369 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1764298145 HHAFXTHYKRNTOI-SFHVURJKSA-N 431.562 2.381 30 10 IEEE CCN(C)C(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1 1766382937 FZVQCTKHMQTOLQ-GOSISDBHSA-N 440.548 2.496 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1 1767699382 HVUDCIQEKRYERM-UHFFFAOYSA-N 437.529 2.196 30 10 IEEE COC1(C(F)(F)Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1768152256 SXRDETIEQJFVSV-HNNXBMFYSA-N 437.447 2.406 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1770727931 KNTRHGOYGAWGRF-JTSKRJEESA-N 437.454 2.265 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)OCCO2 1771188712 PKJDLQXFNKDDMH-QVKFZJNVSA-N 431.468 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cnc(C(=O)ON3C(=O)c4ccccc4C3=O)n2)C1 1772788703 DPSDDRYVGCOYRS-ZDUSSCGKSA-N 441.444 2.218 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCN(C)C1=O 1849512864 KAQFNBMNCPRFOA-PMACEKPBSA-N 447.601 2.383 30 10 IEEE COc1ccc(N(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c2nccc(OC)c2C#N)cc1 1852612604 PIZUPUHZUMTSJF-OAHLLOKOSA-N 446.467 2.422 30 10 IEEE C[C@H]1C(=O)N(C(=O)[C@H]2CCCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636417 VMJUXUTXIOGAIG-ZFWWWQNUSA-N 425.457 2.132 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(Cl)ccc2OC)C1)[C@H]1CCN(C)C1=O 1857056175 KUUUJYWVBGILLM-QAPCUYQASA-N 433.936 2.446 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCN(C)C)=C(N)Oc2c1c(CC)nn2C 1864323806 SXHPLLZWZXYXDM-IBGZPJMESA-N 439.560 2.310 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)Cc3ccc(F)cc3)sc2c1 1866006680 DODAIKHIZJHZJC-OAHLLOKOSA-N 434.518 2.408 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCc1ccccc1 1870357778 PMODYKBDGPLPFB-UHFFFAOYSA-N 439.556 2.142 30 10 IEEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870944492 IBWRZJJRDFWYDY-UHFFFAOYSA-N 430.461 2.467 30 10 IEEE CCc1nc(C2=C(N)N(C[C@H](c3ccc(O)cc3)N(C)C)CC2=O)sc1C(=O)OC 1872796191 PFIPAQZXIBHRPI-OAHLLOKOSA-N 430.530 2.013 30 10 IEEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593231 JYFDDGICQBTHJK-UHFFFAOYSA-N 442.564 2.032 30 10 IEEE CCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cc1OC 1874434901 CZVGWQKMDNCDGF-LPYMAVHISA-N 435.550 2.458 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(C(=O)O)cc1 1874500836 CKJAVGKMIJSLGI-ZVBGSRNCSA-N 429.458 2.006 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)CC1 1889383653 JVLJAMOGZQWERQ-UHFFFAOYSA-N 425.573 2.272 30 10 IEEE CN(CC(=O)NCc1ccc(C#N)c(F)c1)c1nc2c(S(C)(=O)=O)cccc2s1 1891130222 BXFTXZRETRDYSY-UHFFFAOYSA-N 432.502 2.463 30 10 IEEE C=CC1(NC(=O)[C@@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1897689932 JAXHZGZJKKTYMH-CABCVRRESA-N 425.526 2.039 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2098184661 BDWSFEWDAVKRIX-NSHDSACASA-N 434.165 2.430 30 10 IEEE COC(=O)[C@@H](CCNc1ncccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2224097434 LVOLDRFJWCDGOG-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2247903231 ZTCOZPCDAIGIAJ-CVEARBPZSA-N 442.387 2.445 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2CN(Cc3ccccc3)C2)OC1(C)C 2247904048 LSUHWFJEODEXPL-UHFFFAOYSA-N 448.419 2.458 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247906438 ZNCKHYJUNFREBE-HRCADAONSA-N 442.387 2.349 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2247917593 GCUMOGUUELFFDS-ZDUSSCGKSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2247921189 KVDFVHROMZWCJM-STQMWFEESA-N 435.355 2.276 30 10 IEEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248405644 SFSXVYWXQHUEKU-NEPJUHHUSA-N 441.359 2.464 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255619089 MRCLSYHURLIQEZ-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2255820757 AXMJGISRUVCGRR-HOTGVXAUSA-N 431.342 2.475 30 10 IEEE CCC[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255825695 DHBBDEWLSYMUPT-CQSZACIVSA-N 436.362 2.143 30 10 IEEE Cc1nc(NC(=O)[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256742398 VRSCHHSDRVTJKM-DZGCQCFKSA-N 432.330 2.326 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256926663 BWGWKDOCCZVKBW-XJKSGUPXSA-N 446.334 2.231 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929194 NWDRQQARDKFDCO-UKRRQHHQSA-N 446.334 2.231 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267096155 RFJFBMAVPDLRDF-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267107643 BFYNECKDBRCBIL-QZTJIDSGSA-N 446.353 2.350 30 10 IEEE Cc1c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267137246 PLBJTLNNZBTWFS-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267177130 JVRAJNCPBRPNCP-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2267274073 VIDQORHTGWOOBP-MAUKXSAKSA-N 445.369 2.406 30 10 IEEE C=CC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2267494825 HXIVBDLVZNLJQQ-UHFFFAOYSA-N 447.316 2.425 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881957 MKZMRIJHSFXYQJ-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268634840 KURHVZJDGPGCSY-KSSFIOAISA-N 446.353 2.149 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268634862 KZOJZBIKYZFLHE-KSSFIOAISA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C1(O)CCC1 2268705901 HNPOLLZBDUQDAK-MRXNPFEDSA-N 447.341 2.128 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2282184460 SSYPYZVMAVITQQ-OALUTQOASA-N 448.376 2.416 30 10 IEEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2296228135 VZKVWBXYLUJUBA-UWVAXJGDSA-N 439.350 2.433 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2302952406 SELGVONIMBTQRK-VQTJNVASSA-N 449.617 2.310 30 10 IEEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)cc1 2325714015 ZNCVNSSXPVOIFZ-UHFFFAOYSA-N 441.278 2.134 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccc(Cl)cc1 31005511 RMTHNCMQPLEBGG-UHFFFAOYSA-N 446.960 2.177 30 10 IEEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2ccc([N+](=O)[O-])cc2Cl)C1=O 59461705 MNJGNXHHEQJJCG-ZHZULCJRSA-N 447.820 2.414 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 110269156 SYQPAMRVLLZTSO-NQIIRXRSSA-N 429.517 2.222 30 10 IEEE NS(=O)(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 254376313 RYZPGOBSXANNKH-UHFFFAOYSA-N 442.522 2.483 30 10 IEEE CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 435684833 NAVSDDHCVIBOBZ-QRVBRYPASA-N 447.557 2.394 30 10 IEEE N#Cc1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2)cc1 436071118 WTODRFLEHHNDQD-HXUWFJFHSA-N 439.537 2.364 30 10 IEEE CCC1(CC)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC[S@@]1=O 469511600 DYNSHPLBFVWYDU-KEEVHDRGSA-N 434.581 2.158 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CSCC(=O)N2CCCCC2)cc1 503691675 YKOGHVGRKWIFKL-QGZVFWFLSA-N 432.571 2.144 30 10 IEEE C=CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 520721240 GIZKYZALRPXMFJ-UHFFFAOYSA-N 427.482 2.131 30 10 IEEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 520899201 BKUNYUOPOYMDQX-KRWDZBQOSA-N 443.525 2.248 30 10 IEEE CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522802415 PYLPRTKGCKGGJG-QUCCMNQESA-N 448.589 2.415 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 526088912 UHBMIIVXAGDZPL-UHFFFAOYSA-N 449.511 2.235 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 544004086 TWSRPLSARJFJBL-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE N#Cc1cc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)ccc1Cl 557849409 POPKNVNZRUONBY-HUUCEWRRSA-N 431.901 2.409 30 10 IEEE CCOC(=O)c1ccc2c(c1)nc(CN1CCN(c3c(C#N)c(C)nn3C)CC1)n2CC 571836527 BGNLLSBULYPFLS-UHFFFAOYSA-N 435.532 2.469 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(CCc4ccco4)n3C[C@H]3CCOC3)CC2)nc1 578528213 PGFCKHNNNMPWIJ-LJQANCHMSA-N 433.516 2.286 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1ccc(F)cc1)C1CC1 582873107 MBKBCTSCWSHZOP-IBGZPJMESA-N 449.552 2.148 30 10 IEEE C=CCSCCNC(=O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 586813138 MTBWMYXZVMFZCZ-UHFFFAOYSA-N 426.380 2.129 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 604001386 CFDVJTSUDSOLOW-UHFFFAOYSA-N 434.546 2.107 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCCC[C@@H]3C)nnc12 642592541 VKOKEGCXTZPHRC-INIZCTEOSA-N 440.573 2.313 30 10 IEEE C#CCN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 729332383 OQORJWVUYJVAAN-INIZCTEOSA-N 444.513 2.397 30 10 IEEE N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 737197808 JFQYBRNWQAWEQP-OAQYLSRUSA-N 443.507 2.469 30 10 IEEE CC(C)[C@@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 739402142 NFOICIKFSKRRCM-YJBOKZPZSA-N 447.605 2.077 30 10 IEEE C[C@H](CC(=O)NCCc1c[nH]c2ccc(F)cc12)/N=C1/NS(=O)(=O)c2ccccc21 742685889 UOYUUTBHVWHWMO-CYBMUJFWSA-N 428.489 2.483 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C1CCCC1 757180192 VXOOUPQSTJNPJQ-GOSISDBHSA-N 445.585 2.474 30 10 IEEE CN(C)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757558048 PNJYQRFSMLMZMQ-QFIPXVFZSA-N 449.507 2.050 30 10 IEEE C#CCN(Cc1cc(Br)cc(Br)c1N)[C@@H]1CCS(=O)(=O)C1 769446174 IMDYDWVIFZIILM-GFCCVEGCSA-N 436.169 2.416 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2nnc(SC)s2)C1=O 783507065 AMACTFUACHFGEY-GFCCVEGCSA-N 432.556 2.399 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(Br)cc1F 788036816 NJTBXHYLRVKOBC-SECBINFHSA-N 444.731 2.053 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)n1 788630807 MRHRWJXBMGRQMZ-UHFFFAOYSA-N 439.516 2.106 30 10 IEEE COc1ccc(Cl)cc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCF 797818346 XKMPWWNLKTWLFO-HNNXBMFYSA-N 430.933 2.318 30 10 IEEE C[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 803848720 VXPFRFLSOGCQBE-OAHLLOKOSA-N 442.497 2.312 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(C)cc1F 813647989 YDTFYQPQNLRLJA-LJQANCHMSA-N 431.489 2.492 30 10 IEEE C#CCN(CC(=O)N1CC[C@H](Oc2ccnc(CN(C)CC)c2)C1)C(=O)OC(C)(C)C 856624099 SUWMMBPGNMUGAD-FQEVSTJZSA-N 430.549 2.383 30 10 IEEE N#Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc1 913193945 GQOXJZOXCXPILZ-MDWZMJQESA-N 428.539 2.190 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)c1 1084552238 JTOMMLBJGQRUEM-UHFFFAOYSA-N 438.517 2.436 30 10 IEEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 1124239808 AIFPSODWYWZDMQ-QFGUUYLXSA-N 432.498 2.285 30 10 IEEE Cn1cc(Br)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1=O 1135836544 PEQIGHSNZTVQGK-UHFFFAOYSA-N 429.318 2.368 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1 1137541480 AJZYMARTANOOGX-UHFFFAOYSA-N 449.891 2.261 30 10 IEEE CC(C)C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)CC(=O)O[C@H]1CCOC1 1143699442 NQGNWPJTMALFOS-JXFKEZNVSA-N 439.516 2.440 30 10 IEEE C=CC(C)(C)CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1154224160 QZABAGLTXSEKEP-UHFFFAOYSA-N 435.590 2.408 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2ncccn2)CC1 1156101630 FILWPGNXCHLDAC-SFHVURJKSA-N 441.557 2.336 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(I)ccc1Br 1159641070 BIUCKQFZNAXIJH-SNVBAGLBSA-N 439.047 2.164 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cc[nH]n1 1160292974 WJKRIUIZNOGRSF-UHFFFAOYSA-N 438.488 2.051 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)CCNC2=O 1166336051 GLJRFODTKXTYFH-SFHVURJKSA-N 440.525 2.064 30 10 IEEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)Cc1cc(C#N)cs1 1176556034 SWBDIXYNOCGWGK-UHFFFAOYSA-N 432.571 2.281 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1cnn2cc(Br)cnc12 1211816477 UFCZFTAVHGXXTM-UHFFFAOYSA-N 441.307 2.344 30 10 IEEE CC(C)(CC#N)CS(=O)(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1212074662 GTPSRRXJMGHVMR-MRXNPFEDSA-N 440.570 2.209 30 10 IEEE C#CCOc1cccc(NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)c1 1215273310 IDSQMOBOJWEGGJ-INIZCTEOSA-N 428.489 2.040 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1286294675 FFUOHNFIFZKTOO-GBESFXJTSA-N 446.596 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1-n1ccnc1 1286401086 NOPGCWNKUUBUCP-XMMPIXPASA-N 430.512 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(Br)cc1 1286415952 NYELRZNVOPWFQI-UHFFFAOYSA-N 440.345 2.479 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC1CC1 1286553414 DPUWJUJGMPTDBP-FHWLQOOXSA-N 438.594 2.024 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286728288 UCUSTGRJFBUDJC-UHFFFAOYSA-N 426.546 2.185 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCOCC1 1286729714 YOJFTAARWNFGRG-QGZVFWFLSA-N 430.578 2.158 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)[C@H](C#N)C2(SC)CC2)C1=O 1288177278 CDCSARWJEJFJQR-UZLBHIALSA-N 430.530 2.017 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 1294015969 CZRXOVQHYJRDSH-AWEZNQCLSA-N 443.591 2.223 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1295164747 CNHNAPNNTMCFNG-LJQANCHMSA-N 439.545 2.117 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C 1296092628 GNGNPKXRDVFNHV-BTYIYWSLSA-N 426.477 2.146 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC(O)C1 1300156371 AKDLGFWTICIAFZ-UHFFFAOYSA-N 442.560 2.305 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C 1300310648 YHKARAZMBZXCDP-INIZCTEOSA-N 432.569 2.329 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300489847 UDXKFBKXNPMFMY-OAQYLSRUSA-N 440.569 2.481 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1300805461 DMVNKPJNIBTROA-NFBKMPQASA-N 441.601 2.304 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)COCCO1 1301420585 GSMKPEUHTNDDHO-QFIPXVFZSA-N 430.505 2.161 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301609811 OXSGWANJTYGAPF-GOSISDBHSA-N 446.621 2.377 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CCc1nnc2n1CCCCC2 1301806472 ICCLRMFUKFALEO-UHFFFAOYSA-N 435.536 2.267 30 10 IEEE CC(C)OCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1303539280 PYNHHOGQCXPTSP-MRXNPFEDSA-N 426.587 2.224 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1303939426 FDOYOGIPKCMPDD-IBGZPJMESA-N 449.602 2.000 30 10 IEEE N#Cc1cc(Cl)cc(CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c1 1307568284 AKRCBQGKIYJVTF-UHFFFAOYSA-N 425.876 2.103 30 10 IEEE CN(C)C(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1314625440 DVNHYQKOOTWYAY-LJQANCHMSA-N 440.523 2.385 30 10 IEEE C[C@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)Nc1sc2c(c1C#N)CCC2 1337186468 AKUFEMMBYDGJHF-JTQLQIEISA-N 432.889 2.457 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358943772 VOEFUWMKMUQSJF-ICSRJNTNSA-N 443.573 2.227 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1358947574 FMPJMEGHMSCSIF-OALUTQOASA-N 446.596 2.183 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCc2ccccc2)CC1 1359044989 TWBFVDYGGHVHKE-NRFANRHFSA-N 448.571 2.218 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C 1359109889 SRFQDCRKFGWTSZ-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC1CC1 1359298554 DJHLTVLOGHJVHT-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359304146 NYGHAYGVUREDHQ-FXAWDEMLSA-N 425.533 2.471 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(OC)c2)C1 1359324931 UYWWPIYAFMZIKI-SFHVURJKSA-N 441.532 2.247 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1359601877 LXSYEPOVNTUBPZ-SFHVURJKSA-N 436.520 2.323 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1360319214 FFCUUQSZDNATOZ-OXQOHEQNSA-N 441.598 2.270 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 1462794522 JTKMCMIHKLRBHM-UHFFFAOYSA-N 430.960 2.078 30 10 IEEE COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1463486953 BCNSKEHRVNKBCF-YPMHNXCESA-N 443.909 2.164 30 10 IEEE CO[C@H](C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1465600185 UZCRWHBRXHJCTD-GOSISDBHSA-N 427.505 2.040 30 10 IEEE CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1467918955 HDDIFPGDCHIXKY-ZDUSSCGKSA-N 438.502 2.408 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 1469536243 ZWXJFJOZFGGMTJ-ROUUACIJSA-N 427.505 2.265 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1ccc(CN3CCC(C(N)=O)CC3)cc1)C2 1470523079 ORFRTKLTNLVRAN-HSZRJFAPSA-N 431.540 2.222 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1471358903 PJESRECFSIEABY-IBGZPJMESA-N 445.564 2.185 30 10 IEEE COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1C 1471984134 POPKCZYHUNXBQL-KRWDZBQOSA-N 425.489 2.418 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CC2(C(N)=O)CCOCC2)cs1 1492672356 AXYUCBVCKYDNFA-UHFFFAOYSA-N 443.577 2.046 30 10 IEEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1497613632 IKCQVNVMUDWUJG-GNDBUYPCSA-N 440.504 2.378 30 10 IEEE CCn1cc(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(CCC#N)CCOC)cn1 1502228500 HLVAFGQZDOOBMR-UHFFFAOYSA-N 447.503 2.225 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1csc(CC)n1 1503109686 URFAZBNNFRYDFK-UHFFFAOYSA-N 438.561 2.475 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1504974062 LUQPIYXOCMKQSI-WMZHIEFXSA-N 447.628 2.158 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1505043293 HUSGBCNRWSDJPK-WZONZLPQSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1507533347 MBWXJUURZPXQQK-ZDUSSCGKSA-N 438.442 2.290 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1507736852 TZSGNGUORGBZMQ-PZJWPPBQSA-N 436.560 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCc2nccnc2C)CC1 1507740237 QOPIVQCPQYOOIB-UHFFFAOYSA-N 435.576 2.318 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1507797473 LQXBEXTXBOGTGP-SCWSEQNSSA-N 441.532 2.344 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](CC)C1 1507799792 SJIIKLPNNQRVPT-VHPHOLNESA-N 438.594 2.165 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507961035 XGRJRXCQMATRES-GOSISDBHSA-N 445.531 2.310 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507965048 JWOXHSZIBGIZFL-GOSISDBHSA-N 425.493 2.126 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1Cc1ccc(C#N)o1 1513382573 FWSVMLZKHPLYKR-QGZVFWFLSA-N 437.508 2.179 30 10 IEEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)ccc1C#N 1516455944 GXGLWTAOEHERBP-UHFFFAOYSA-N 449.916 2.376 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1518744414 AYHMBXRSLDXDMD-IBGZPJMESA-N 439.495 2.420 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 1532529647 SSLLRLGEVZQEGJ-UHFFFAOYSA-N 432.527 2.234 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1532612868 BBXSFFBKKQYYRV-UHFFFAOYSA-N 449.573 2.373 30 10 IEEE CSc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1C#N 1537673648 ORNLNGAHVDRWTB-UHFFFAOYSA-N 430.555 2.392 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1539210999 ILIQHOMOPPSTKH-IBGZPJMESA-N 438.557 2.145 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ncn(C)n1 1539405694 IYLFWINOSYIRDO-UHFFFAOYSA-N 448.300 2.110 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(F)(F)F)cs2)CC1 1539445814 HINMERPRPBRQND-UHFFFAOYSA-N 448.478 2.208 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)Br)CC1 1539453122 CTLDKPSOUATBHN-UHFFFAOYSA-N 425.281 2.007 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 1539642338 QAHFHUVABAIPPY-IERDGZPVSA-N 429.496 2.304 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1539976678 CRALLYXGMMFCSC-IBGZPJMESA-N 444.967 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540866165 FFMUKPVBVFEFHE-DZGCQCFKSA-N 437.903 2.280 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)cc1 1540878757 HIUOXIVRUKGWFQ-FQEVSTJZSA-N 438.532 2.220 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1541115665 CRDIZUIQARBEJN-RCCFBDPRSA-N 436.626 2.287 30 10 IEEE CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541304462 BTCPAADLFJWYPM-XLIONFOSSA-N 428.512 2.170 30 10 IEEE N#Cc1ccc(OCC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1Br 1543711734 SXZNPWREWYYWRC-GOSISDBHSA-N 445.317 2.112 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C1CC1 1544581857 AIZOTUFLPSAWHR-SJORKVTESA-N 437.596 2.435 30 10 IEEE CCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1546845402 DMHFIRGAZTZZRP-QFIPXVFZSA-N 428.585 2.268 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1547899866 FMAYWUOSEFDEIH-GOTSBHOMSA-N 440.548 2.290 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(OC)CCOC1 1555545335 CXBBHKMSPXMBLJ-OFNKIYASSA-N 441.532 2.112 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1556808196 BOWPEGHJZHZYIZ-OAHLLOKOSA-N 438.912 2.266 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1570418109 GGCFGEFURODSEE-IRXDYDNUSA-N 428.558 2.347 30 10 IEEE N#Cc1cccnc1NCCNC(=O)CCS(=O)(=O)c1cccc(Br)c1 1583538584 SUOLYGZDMMBDBG-UHFFFAOYSA-N 437.319 2.108 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1587551034 YBTUMQKEXDTSII-ZDUSSCGKSA-N 447.442 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587652347 XQPACMMOQDGIPC-IEBWSBKVSA-N 431.548 2.223 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)c(OC)c1 1588138555 FMBRAKSYLFRUCJ-KRWDZBQOSA-N 446.960 2.158 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1c(C)noc1C 1588314574 JMEHQENKVRNEGV-UHFFFAOYSA-N 431.500 2.499 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2sc(C)nc2C)CC1 1588749866 AMBSTOOPXHRJJG-QFIPXVFZSA-N 444.605 2.001 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CCc1ccccc1 1596497614 KPJGRCPYLQBHHK-UYAOXDASSA-N 443.569 2.394 30 10 IEEE COc1ccc(OCCn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)cc1 1619327585 QZGLAINMOGPUOG-LJQANCHMSA-N 440.529 2.450 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1620296208 HCHRNNKHJNIJGA-WMZOPIPTSA-N 426.546 2.197 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c1 1624636900 FGYMVUXOAKBWHM-UHFFFAOYSA-N 447.463 2.297 30 10 IEEE CN(C)S(=O)(=O)N[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 1626235738 ORCZJTSDLAPAGH-QGZVFWFLSA-N 431.480 2.128 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1630184957 SKBRAILGSBZNNP-HXUWFJFHSA-N 441.557 2.493 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NC(c2ccccc2C)c2ccccc2C)CC1 1634072231 WABXQFJXTPOJGL-UHFFFAOYSA-N 440.569 2.188 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CNC(=O)c4ccccc43)c(C#N)c2N)cc1 1634946542 DSEVQQQZVYYGST-HXUWFJFHSA-N 428.496 2.211 30 10 IEEE C#CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@@H]1CCCc2ccccc21 1635884703 MUEPEBHMKFAMSX-FCHUYYIVSA-N 435.499 2.268 30 10 IEEE N#Cc1cn(CCC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c(=O)nc1O 1636292319 GDACDBOLJYMYOZ-UHFFFAOYSA-N 433.198 2.435 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1638911569 UYAADGHBYLFSKF-DRSNIGMVSA-N 429.521 2.117 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1 1641478913 SCLCJJUYNKOQKI-QHCPKHFHSA-N 438.505 2.238 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)s1 1642238086 LKYPSYVYRLLMQF-IBGZPJMESA-N 435.571 2.170 30 10 IEEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1645771707 AVJBSEPRTZOYBL-FQEVSTJZSA-N 434.558 2.362 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1649537845 GHYGVUYCRFHWPG-WZONZLPQSA-N 425.533 2.047 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2cccc(F)c2[nH]1 1650913847 LJCXGBZZPGPNNA-MRXNPFEDSA-N 443.504 2.472 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1=O 1671220321 QFXLMBNNQYTLGO-ZDUSSCGKSA-N 444.229 2.450 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)C1CCOCC1 1683593713 GYPSBACFLBHVKY-SJLPKXTDSA-N 425.451 2.338 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCNC(=O)C(C)C 1689930730 YHUQOQMQNZKLAH-UHFFFAOYSA-N 438.580 2.074 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC(=O)N1 1690093681 GUNAPXXTFMIYGU-DOTOQJQBSA-N 431.924 2.436 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690124772 TZMLNWZCETZKMS-OALUTQOASA-N 446.596 2.088 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1690444878 NMTKWONKSKKWES-AZUAARDMSA-N 433.516 2.046 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1690723860 CDCLWFDUIDKAOK-MJGOQNOKSA-N 448.593 2.368 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1691005595 CKVHNAUEUAMGDY-OAHLLOKOSA-N 438.985 2.446 30 10 IEEE CC(C)(C)c1nccc(CCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)n1 1691051834 UKDXFVNMZGVBLL-QGZVFWFLSA-N 433.520 2.184 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1696513084 UWXTTZIXMGNIAA-QPHCHLROSA-N 442.589 2.326 30 10 IEEE CO[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697119840 LUVBRCSSQAGWHG-HOTGVXAUSA-N 438.561 2.342 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1698006260 QASYTIWZWSRYHO-HTAPYJJXSA-N 427.505 2.149 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCN1CCCCC1 1698255492 TULWMERBKLZPJI-ACRUOGEOSA-N 446.596 2.387 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1705523632 UPWIIYSSMCODHA-UHFFFAOYSA-N 437.548 2.412 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569834 KKYJEYJFHDIPTK-AZUAARDMSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(=O)NCC)CCC1 1705578311 NRVGVTDBJUEZCZ-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C#CCSCCn1c(C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1705654183 ZMRUQARFLIWCTB-UHFFFAOYSA-N 427.574 2.243 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705745652 FRDMLPYIYSVNFX-QGZVFWFLSA-N 444.923 2.473 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1705829953 GUCGJQUJICYCPM-HNNXBMFYSA-N 425.580 2.174 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705907932 CEJOGUQZZIPARP-WNKDZCFJSA-N 432.569 2.443 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC[C@H](C)C2)C1 1705915013 RPXDMQLXIJXKHJ-SLFFLAALSA-N 430.597 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705934539 OWVRMYVXQLTTFY-UHFFFAOYSA-N 442.545 2.432 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1705976329 LLKKQOSKPKWYRJ-ZWCUEREDSA-N 432.569 2.316 30 10 IEEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCOCC(F)F)C2 1706964508 KWTXRGGKEAFGBB-HXUWFJFHSA-N 432.431 2.129 30 10 IEEE CCOC1CC(O)(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C[C@H](C)C#N)C1 1710602186 BZJOEIXKLVCLRV-RMQYNXQMSA-N 429.521 2.488 30 10 IEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCO[C@@H]2CCOC2)CCO1 1712886621 YUORZYBNMIIKOS-RTWAWAEBSA-N 425.533 2.378 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCC[C@H]1C 1722275750 BFPXBMIATWYPAA-HLLBOEOZSA-N 430.578 2.430 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359328 RYAPHMABQBZNRS-GOSISDBHSA-N 435.638 2.467 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCc2ccccc2C1 1722374667 ZYVVDUHELUIFAM-VWLOTQADSA-N 433.556 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCc2nccn2C1 1722376816 DJBMLOJEXMLEDT-GOSISDBHSA-N 430.512 2.494 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC[C@H]1CCCO1 1722384509 RIFLIINOAGHQLG-KNQAVFIVSA-N 436.512 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1([S@](C)=O)CC1 1722392028 DEOIEVGOPPWGJR-PMERELPUSA-N 426.542 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)C(C)(C)C 1722421725 SMJROFRPKDAMIP-UHFFFAOYSA-N 434.562 2.253 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@](C)(O)c1cccc(Cl)c1 1722425345 VPLFWKIQYANVDG-NRFANRHFSA-N 426.908 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](C)OC)CC1 1722445304 PBCPKDLPMGVLMS-KRWDZBQOSA-N 432.528 2.494 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(COC)CCOCC2)CC1 1722448473 VMVLZTYGJNLWTN-UHFFFAOYSA-N 443.592 2.345 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1722583260 NGHCNECXVQAGKG-NDXORKPFSA-N 437.610 2.498 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1Cc2cccc(Br)c2C1 1722699593 WOFXEKMSHAHXGV-AWEZNQCLSA-N 432.322 2.367 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)C)CC1 1722701257 KTXZKBMBSPJDBL-UHFFFAOYSA-N 426.565 2.122 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722729119 FUPMICZSKRSKLU-WSTZPKSXSA-N 448.564 2.470 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1723778995 FIZFJFMHSWIZGV-UYAOXDASSA-N 436.564 2.102 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCO[C@@H]1CCOC1 1730950103 ZQDMTRLAVJNMGC-LMVRJCEZSA-N 433.553 2.328 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740591792 UFJBOMCRDDHFSN-GOSISDBHSA-N 442.470 2.033 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1740617523 SMSNZSLLTPKHBJ-QFIPXVFZSA-N 441.601 2.498 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740621412 XDCQFVYQMGIRNR-CTNGQTDRSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740621632 XWYVWWHDXLTJDK-RTBURBONSA-N 441.582 2.339 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC1CCCC1 1740635045 KTKJWIDXVSQRHP-UHFFFAOYSA-N 430.516 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 1740705585 JOXPERZUHFZBMK-UHFFFAOYSA-N 446.596 2.357 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740760881 LIVCKGAEUURMLL-TZIWHRDSSA-N 430.597 2.173 30 10 IEEE C=CCCCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1740881325 DFUXUAYRQLCHGR-VGSWGCGISA-N 445.568 2.471 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1740953446 GOWJKASNRXABDH-GASCZTMLSA-N 429.521 2.365 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1741284452 HNGNMCJCTPIHFZ-HXUWFJFHSA-N 429.456 2.458 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(F)c(Cl)c1 1741904058 HPMRUDMLBGRFHZ-NEPJUHHUSA-N 428.921 2.467 30 10 IEEE CO[C@]1(Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1748504730 AVTQQQDADWOPNC-AVRDEDQJSA-N 427.505 2.008 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(OC)CCOC2)c1 1748692502 YDDUADLPGQURNP-DEOSSOPVSA-N 448.527 2.145 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(C)CN(C)C1=O 1748968641 HUAGPWBJCREYAC-JOCHJYFZSA-N 427.574 2.443 30 10 IEEE C=C(Cl)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1749281525 FUYHYLGVIQHPOV-RKVPGOIHSA-N 434.990 2.329 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749760230 GHTROSFIGODUCH-QGZVFWFLSA-N 429.594 2.437 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCOC1 1750070338 SIONNUITJVADSN-CVEARBPZSA-N 431.566 2.261 30 10 IEEE CC(C)COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750863369 LNXGDLAYOFFZJM-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1751277889 QAKSMGGXYPZABL-BEFAXECRSA-N 434.953 2.407 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760155334 VRUVKZOWSCTVIO-HXUWFJFHSA-N 444.605 2.324 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(C)(C)O)cc1 1760242737 MWYWRGOVWNITGN-UHFFFAOYSA-N 448.527 2.287 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2nc(C)no2)CC1 1760262344 MEQJEZLRQQEYMP-UHFFFAOYSA-N 441.486 2.227 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCCCC2=O)CC1 1760262862 FEBRTWRKTMQVTP-UHFFFAOYSA-N 434.588 2.221 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1769443681 VWLIHTXGPHRPHF-RDJZCZTQSA-N 447.442 2.152 30 10 IEEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1769701075 WXGYTVPKSUVRSO-NRFANRHFSA-N 430.484 2.084 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1771179860 BNOSEWVPTUPFNK-MXLIYFDZSA-N 446.552 2.155 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1772523344 OUZNSXVJRPSHTG-KSFYIVLOSA-N 444.557 2.389 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1849039795 WUTUOMSLDAZXSL-UHFFFAOYSA-N 431.558 2.023 30 10 IEEE N#Cc1cc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)ccn1 1850683951 OJVLZEBJJGCXDW-UHFFFAOYSA-N 435.875 2.222 30 10 IEEE COc1ccccc1CN1C[C@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1=O 1850897042 VBDIXCLXRYKGFX-OAQYLSRUSA-N 447.539 2.343 30 10 IEEE CN1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C23CCCC3)C1=O 1854005032 OLNCWDHHTCBUQB-SFHVURJKSA-N 428.920 2.234 30 10 IEEE CCOc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)CCc3ccc(C#N)cc3)CO2)cc1 1855443380 QQIWGUCVOPZJQV-LJQANCHMSA-N 430.482 2.437 30 10 IEEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855463993 XUEGAOZVMHZNAQ-PKOBYXMFSA-N 433.574 2.356 30 10 IEEE CC(C)N1CCCC[C@H]1C(=O)N1C(=O)C[C@H](C)N(S(=O)(=O)CC#N)c2ccccc21 1857467232 BXYHGIOYSWRDMX-LPHOPBHVSA-N 432.546 2.261 30 10 IEEE COc1ccc(CC(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)cc1 1860827831 ARTWVUCFQRNPLO-UHFFFAOYSA-N 432.440 2.210 30 10 IEEE CC(C)N(CC(=O)N[C@H](C)C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867232938 HGBFKOIWHTXPHD-OAHLLOKOSA-N 446.504 2.240 30 10 IEEE COc1cc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(C#N)cc3)C2=O)cc(OC)c1OC 1873867835 ZPYLGFCCLWNWKF-MRXNPFEDSA-N 438.440 2.428 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccncc2)cc1OC 1874199915 AKMSYAREFLWNEX-ZMOGYAJESA-N 440.529 2.325 30 10 IEEE CCCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)cc(OC)c1O 1874506852 YGEXTUVUFQPSDC-CNHKJKLMSA-N 428.312 2.167 30 10 IEEE Cc1ccn2cc(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)nc2c1 1889403973 MRDXCLPURUVMCB-UHFFFAOYSA-N 437.588 2.293 30 10 IEEE Cc1c(Cl)cccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889590402 VRJBUUGDQRFWJM-UHFFFAOYSA-N 440.009 2.069 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)C1 1892040595 WCJREPNUBQSJSK-HXUWFJFHSA-N 428.510 2.038 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1908626998 RXWVKRHQZURESG-BZUAXINKSA-N 440.541 2.060 30 10 IEEE C#CCOCCOCCNC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2015729399 AAXVYNIDVWBMIN-FQEVSTJZSA-N 434.533 2.269 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060635522 MQWNTBDIEBTUDI-KRWDZBQOSA-N 435.374 2.376 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2060640605 WTAYHKWQGZVRNG-ZHRRBRCNSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128727624 XMKSJABXNYHLRE-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224132277 VZLSBJMFMHRJRA-QGZVFWFLSA-N 433.358 2.311 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)C1 2247565958 ZMLISTHNJVPCKD-GWMLXNDSSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247910305 KPVRVSPOZNBOQV-PMERELPUSA-N 442.343 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248446069 VLBKSAGLUBDWDL-KGLIPLIRSA-N 437.371 2.362 30 10 IEEE CCn1cc(C(=O)N(CC(=O)OC)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255651789 ZVXZULDIUVPVPK-UHFFFAOYSA-N 427.310 2.018 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3CCN(Cc4ccccc4)CC3)c(F)c2)OC1(C)C 2255656236 YETCGPGUAGOTEF-UHFFFAOYSA-N 425.313 2.478 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CC[C@@H]3OCc3ccccc3)c2)OC1(C)C 2255745652 PAYLVXAPVOPOBF-PMACEKPBSA-N 444.362 2.407 30 10 IEEE CC1(C)OB(c2sccc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255797869 MPAYSXSVZOMERE-GOSISDBHSA-N 441.406 2.251 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837488 QCMIERUSACZVMF-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256620764 MMVZJXOMRWFUSV-WBMJQRKESA-N 438.305 2.338 30 10 IEEE Cn1ncc(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267010276 TZHRTEOIELYUCX-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267130566 PKKCLVDDLMQGOK-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2267154030 FQOPRHIYMVNVAJ-CABCVRRESA-N 448.373 2.093 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CCC1 2267170318 UNEFQQLARDKGML-INIZCTEOSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267185507 WGLDOUITWZRZRW-UHFFFAOYSA-N 447.301 2.016 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267276225 ZKWDTHMJGRRDDQ-NPMXOYFQSA-N 445.369 2.311 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2267482455 DOJADXMWOWFXBW-UHFFFAOYSA-N 448.325 2.135 30 10 IEEE Cc1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267585081 QBTZSOAWHMQBLB-UHFFFAOYSA-N 440.271 2.353 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267875415 GMXVXDJFICKBSL-CQSZACIVSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268634745 KBPUBSIWLNMWGK-OAHLLOKOSA-N 447.341 2.203 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268639265 MYZAKFPFKVSUBP-RDTXWAMCSA-N 446.353 2.102 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2298215500 DZOSSQIPTQIPRH-DMRKSPOLSA-N 439.553 2.046 30 10 IEEE Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]c1=NN=CC=Cc1ccccc1 2313701670 UQFGCMCHPMGGBQ-UHFFFAOYSA-N 438.473 2.164 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](O)C#Cc1cccc(Br)c1 2313846402 XCCUSJCPYHFJHB-HUUCEWRRSA-N 432.336 2.099 30 10 IEEE CCCn1c(N2CCN(CC)CC2)c(/C=C2/SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 33812538 ICIXEPDEFOZFJA-SFQUDFHCSA-N 445.614 2.411 30 10 IEEE C=CCn1c(CN(CCOC)C(=S)NCC)cnc1S(=O)(=O)Cc1ccccc1 36032356 PORJDAGSGQOUAS-UHFFFAOYSA-N 436.603 2.386 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 109382745 FWMTYJLJFAAHRN-KRWDZBQOSA-N 435.546 2.118 30 10 IEEE C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 111001882 FVYFJYGAVUVSPW-ACJLOTCBSA-N 447.513 2.400 30 10 IEEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)nn2)cc1 447208057 LFDCGAWHPSLLHW-UHFFFAOYSA-N 444.373 2.421 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460928200 ALUWCMIUKIMWFW-OAQYLSRUSA-N 438.576 2.219 30 10 IEEE CCOC(=O)[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 461191657 HVHRQOXUHWFRSR-PMACEKPBSA-N 448.479 2.226 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)n1 479385739 POHXUHOBCFDMFJ-MRXNPFEDSA-N 441.553 2.001 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487514800 CGSAYNRFCAHJJZ-OAQYLSRUSA-N 449.511 2.165 30 10 IEEE CCO[C@@H](C)c1nc(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cs1 489575969 XZGSHWWLUVMUTL-HNNXBMFYSA-N 435.575 2.322 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 501868527 FSJRMOIRSBFUDY-IBGZPJMESA-N 427.553 2.476 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(Cn4ccnc4)cc3)C2=O)cc1 504715804 LZUNCCHTTMIENO-OAQYLSRUSA-N 442.479 2.324 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 511279928 KZJRVLSVWNKWFE-UHFFFAOYSA-N 439.486 2.343 30 10 IEEE CC(C)C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)NCCN(C)C 513119038 SUZMJLWDKWDFEY-KRWDZBQOSA-N 429.500 2.097 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1Cc1ccon1 532194609 QAHGRRJOLSAWOS-UHFFFAOYSA-N 427.432 2.097 30 10 IEEE CC(C)(C)[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1O 541617068 JVOVEKACLMNELM-AEFFLSMTSA-N 441.532 2.184 30 10 IEEE CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 555362632 YXWGOEAFAXJKNY-INIZCTEOSA-N 446.577 2.464 30 10 IEEE N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 562128737 DLFGLTTWTQAJGI-UHFFFAOYSA-N 435.875 2.080 30 10 IEEE COc1ccccc1CC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 564442379 DQYZZNNYTLTYAT-UHFFFAOYSA-N 427.526 2.326 30 10 IEEE C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C#N)cc1F 586860749 PUQXTWQXUIDYEB-GOSISDBHSA-N 438.503 2.063 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 608827078 XIAFFJFMNIVUAV-JSGCOSHPSA-N 447.538 2.177 30 10 IEEE CCc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCOCC1 609228721 DLDRXGWCOBIMAI-UHFFFAOYSA-N 431.489 2.211 30 10 IEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670211074 UWXCUCKUEIAPAL-YLJYHZDGSA-N 428.606 2.495 30 10 IEEE CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1 754578437 IAAZUNKSFJMFGI-UHFFFAOYSA-N 438.259 2.011 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(F)(F)C(=O)O 757470580 JPJFEALSCQQHFY-UHFFFAOYSA-N 428.391 2.365 30 10 IEEE C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760550193 AVLCYUXRFGCTQA-LJQANCHMSA-N 430.921 2.215 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 766611518 AQIPDIYKZAIATH-AWEZNQCLSA-N 435.864 2.350 30 10 IEEE Cn1ccnc1C(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 770872007 QPBJQRJCEQVXTP-INIZCTEOSA-N 434.905 2.066 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)C[C@@H]2CCCC[C@@H]21 779256434 LIBWQQWBJJQRMS-SZMVWBNQSA-N 447.557 2.464 30 10 IEEE COC[C@H](CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1)OC 781104143 MJVMYKZGCNSVOQ-HOTGVXAUSA-N 447.492 2.237 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1C 786684104 VNNUIYMTXCLQEA-SFHVURJKSA-N 449.598 2.338 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N(C)C)cc2)cc1 788484886 OSWNFHCUKWWQDC-VZCXRCSSSA-N 436.559 2.366 30 10 IEEE COCCn1cc(C=Nn2c(-c3cccc(S(C)(=O)=O)c3)csc2=NC2CC2)cn1 789968412 NWVUMSYQHHFKAO-UHFFFAOYSA-N 445.570 2.408 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@](C)(O)Cn1ccccc1=O 790682747 MVQHQEXIADJXBK-BTYIYWSLSA-N 429.498 2.033 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@](C)(O)Cn1ccccc1=O 790683300 CXKQHSCVDBIOEZ-VFNWGFHPSA-N 429.498 2.175 30 10 IEEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 790703580 YZSACBVLSOAUSK-APWZRJJASA-N 430.574 2.497 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(O)(c4ccc(Cl)cc4)C3)C2=O)cc1 802666003 FPSANTRZDVCBME-SFHVURJKSA-N 438.871 2.147 30 10 IEEE Cc1cc([C@@H](CC(=O)NCCn2cnc(C#N)n2)NC(=O)OC(C)(C)C)cc(Cl)n1 804620653 SIDPYSUDJMHSAW-CQSZACIVSA-N 433.900 2.279 30 10 IEEE COc1ccc(CNC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 805224324 UZGXBESQRGEYRY-LJQANCHMSA-N 443.548 2.403 30 10 IEEE CCS(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 857705581 GSGTXKKBXPZUFV-LBPRGKRZSA-N 439.559 2.040 30 10 IEEE CCC(=O)N[C@H](CCSC)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918615967 HFMXBPQRAMFCGU-ZESIPNTPSA-N 440.591 2.086 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc1OC 1083960138 CXKGYQBYPMQPGM-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1122502084 CVWQMALAQTXPPZ-ROUUACIJSA-N 442.516 2.412 30 10 IEEE C#CC[C@H]1CCCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1130101549 ZHMMEAVXNLMGEV-KRWDZBQOSA-N 445.541 2.031 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCN(C2CCC2)C1=O 1132027869 KXUFSSBVCJSNRK-OAHLLOKOSA-N 436.306 2.368 30 10 IEEE N#C[C@]12CN(C(=O)c3ccccc3OCCOc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134645714 SLSJLZWFIWDWSW-HTAPYJJXSA-N 426.494 2.155 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)cc1 1151237165 PXWOCMUWOLIIGM-OAQYLSRUSA-N 435.509 2.390 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 1154205892 QOFBTZLUWXCZQY-MRXNPFEDSA-N 447.536 2.112 30 10 IEEE CCn1ncc(Br)c1C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1161250079 ARYZZVRRTFAFOZ-UHFFFAOYSA-N 443.099 2.462 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)cc1 1166140674 BATWUQDTIDLAAU-UHFFFAOYSA-N 442.419 2.425 30 10 IEEE CCn1cc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(O)nc1=O 1175579303 NPRKVGZZOKJRDG-UHFFFAOYSA-N 429.908 2.417 30 10 IEEE C[S@](=N)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 1175955249 JGNZZNIHLLSDPR-WJOKGBTCSA-N 440.573 2.375 30 10 IEEE Cc1noc(Cc2ccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc2)n1 1179527768 XXEHPOJYADOQCD-UHFFFAOYSA-N 439.497 2.426 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(c2cccc(Cl)c2C)CC1)c1cc[nH]n1 1180245478 WRIIDHVAPHMIGI-UHFFFAOYSA-N 433.896 2.004 30 10 IEEE COCC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1248733547 HMHHHUMNLWTYDD-XYJFISCASA-N 445.463 2.363 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286348045 UACKLPCXSXTLHF-KRWDZBQOSA-N 440.573 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(F)cc1 1286430921 LEVSLTAXOUWLBH-ROUUACIJSA-N 444.532 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H]2C[C@H](F)C2)CC1 1286487955 IKZRGFVYDLVTCP-LYHRCORUSA-N 447.555 2.034 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](CC)N2CCCC2)CC1 1286490767 RHSJJDPOMPHXNH-NRFANRHFSA-N 449.603 2.489 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1286823845 QSDVNECSTJQVPO-CABCVRRESA-N 431.628 2.059 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286831011 RYFQWPQNYUMHMB-KRWDZBQOSA-N 427.578 2.172 30 10 IEEE CC(C)CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287849395 BHKDAMSYDNPQMU-IBGZPJMESA-N 445.637 2.470 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1288519763 PXCOKUZFHUFYJB-OAHLLOKOSA-N 449.515 2.494 30 10 IEEE Cc1cnn(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)c1 1290278771 BYWDCVLKXITILK-MRXNPFEDSA-N 427.534 2.292 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1296123832 CNHLPQYKJHLZGS-MBSDFSHPSA-N 436.539 2.285 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC[C@@H]2CCOC2)CCOC1 1296584648 KIMPFRFARMLKOI-SIKLNZKXSA-N 433.553 2.113 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1300308237 NSGLKZWCIOJZQK-AEFFLSMTSA-N 446.573 2.484 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1300498105 GVKRALUVMSGEMH-IBGZPJMESA-N 447.630 2.280 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)c1 1300537410 GRTBLGXJOPUOQY-INIZCTEOSA-N 436.459 2.320 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1 1300665708 OHHIWRKNLDFWAF-UHFFFAOYSA-N 436.560 2.138 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300700259 NLUUZMUYLLOCOI-RTBURBONSA-N 446.596 2.183 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NC)CC1 1300751838 TXCNGMCYJBUDQI-UHFFFAOYSA-N 441.557 2.045 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1301241445 QOVJDQZAHPZUND-UHFFFAOYSA-N 435.532 2.403 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCSC1 1301483219 KSTARZLPUXKAIA-ZDUSSCGKSA-N 439.383 2.290 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 1301518058 GKMGPHZXWNLWAW-SFHVURJKSA-N 440.548 2.193 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1301565319 BHHRJPAMHADXAL-IBGZPJMESA-N 445.589 2.403 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1=O 1314929972 IDINWGITUKVLLM-INIZCTEOSA-N 430.459 2.443 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)CN1CCOCC1 1316286814 IWPBXQYHWIWRTM-JBACZVJFSA-N 446.596 2.100 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCOC[C@H]1OC 1316292171 XBOBVIWYDREEPF-GOYZHWMFSA-N 433.553 2.184 30 10 IEEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(C#N)cc2F)c1 1318323884 HPWFNRLQYSFCNM-UHFFFAOYSA-N 426.267 2.298 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 1323975380 QXHICTNHJYVJHG-CVEARBPZSA-N 431.566 2.067 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358924712 GEMXQNQPJUASSR-CVDCTZTESA-N 445.571 2.219 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1358968052 YJQHZZQKDYHLKN-VQTJNVASSA-N 428.558 2.307 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@H]1C 1359064471 TWHFCZLHASIBRF-OEMYIYORSA-N 437.610 2.476 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359179675 BICUJZPUVIUNCY-SFHVURJKSA-N 438.532 2.268 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1359189095 AJRQWQJWZXBHPJ-QGZVFWFLSA-N 438.594 2.168 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1359307253 FMIASGGNMBPTNR-XLIONFOSSA-N 425.533 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359335339 IQPIRAHOGGJXPU-UTKZUKDTSA-N 440.610 2.403 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NC1CCCCC1 1359821926 ZCVQRMHTNIQDJV-UHFFFAOYSA-N 437.548 2.460 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCCCCO 1360907475 HHWBTQWYLKBAPR-HNNXBMFYSA-N 433.582 2.448 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cccc(OCC#N)c3)CS(=O)(=O)[C@@H]2C1 1441543945 GTPVKQIIIACBPT-ZTFGCOKTSA-N 449.529 2.198 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1OCCc2ccccc21 1456285467 SZYPOMWFKDWSKR-IBGZPJMESA-N 427.526 2.326 30 10 IEEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1459238892 NFNJXEOUQMCEKH-UHFFFAOYSA-N 438.459 2.062 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)C2)C1 1464621513 CZPZVIZMPIBZIH-NKHRDFEZSA-N 430.549 2.290 30 10 IEEE Cn1nc2c(cc1=O)CN(C(=O)[C@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)CC2 1465519356 DVSMLXHUKYMMTR-OAQYLSRUSA-N 449.511 2.071 30 10 IEEE O=C(N[C@@H]1CCCS(=O)(=O)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1469575900 GLPKJMFQTLYURQ-HLTSFMKQSA-N 444.344 2.376 30 10 IEEE C[C@](CO)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1469631335 KPDNIDSPRQAALI-JOCHJYFZSA-N 429.542 2.309 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1 1473136174 ABFJQQOMTQAJFG-UHFFFAOYSA-N 437.993 2.441 30 10 IEEE C=CCN(Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)[C@H](C)COC 1473637002 NQPNCWJHXBTJHD-QGZVFWFLSA-N 436.578 2.100 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1493555525 JOOXZZDVKXRBBQ-MUKKUYKPSA-N 449.353 2.326 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1503273443 JGTHNRDWXSAWNB-LJQANCHMSA-N 446.577 2.151 30 10 IEEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)CC(F)(F)F 1503613963 SYIUWUICFSAAMX-MRXNPFEDSA-N 438.454 2.448 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1503845960 RWHGTWJVUKGMAR-GOSISDBHSA-N 448.483 2.116 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1507515847 ITBBDKOBKIXXCC-NUWOQIAWSA-N 425.599 2.330 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507557113 SDYNAUQOBXTLBI-UHFFFAOYSA-N 441.967 2.198 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)COCCO1 1507619171 XBCSZUBZRUBEMM-IBGZPJMESA-N 435.322 2.495 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507631048 BBFTTZDIDIYCDS-HKUYNNGSSA-N 432.521 2.334 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507633376 DEXQJLIQZRJMKN-IBGZPJMESA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNc1ccccn1 1507644499 JIPJMBUSKRVFRL-UHFFFAOYSA-N 448.552 2.319 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(N2CCOCC2)n1 1507646532 WDSQFBOTHHXOTR-UHFFFAOYSA-N 437.507 2.169 30 10 IEEE C=CCCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507944009 NVFNJLPLCBYPHR-MRXNPFEDSA-N 435.598 2.311 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1508087111 BDKFVSBAAXWKEP-PMACEKPBSA-N 427.549 2.343 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1508156262 VSJXSLGMWWQQHV-UHFFFAOYSA-N 426.550 2.273 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508161877 NVNCLUSOMHYFEY-INIZCTEOSA-N 446.577 2.396 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1515478671 OKPUSPIEJMVADY-OALUTQOASA-N 428.558 2.225 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn3c(n2)COCC3)c1 1516678524 NSUNPOQJGYGIOD-PTGBLXJZSA-N 431.518 2.259 30 10 IEEE CN(CCc1cccs1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517270266 RLCJMXBGSHGKGF-ZJYNUGOYSA-N 442.545 2.049 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1517628908 XRZUYEDRUPLSLZ-AEFFLSMTSA-N 446.257 2.228 30 10 IEEE CSCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1520546883 NKAYQQULOZSDOZ-MRXNPFEDSA-N 435.561 2.470 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)CC2(C#N)CCOCC2)C(F)(F)F)CC1 1524328937 UQFMWGUVBWNMIT-OAHLLOKOSA-N 448.486 2.297 30 10 IEEE C[C@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1C(=O)c1cscn1 1524695107 WKEYMULUYXDIMS-LSDHHAIUSA-N 435.550 2.403 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1534809775 ZLWWSHMYPQYGBE-QGZVFWFLSA-N 442.516 2.101 30 10 IEEE CS(=O)(=O)CC1(CCNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1538870844 DFSMSMSHKOBTHU-UHFFFAOYSA-N 446.529 2.354 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1539194636 CWGCHHMHIMOTPI-QURGRASLSA-N 434.500 2.015 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1539212296 UDWWMOQKUJSHNX-KRWDZBQOSA-N 431.562 2.030 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](OC)[C@H](C)CC)CC1 1539441399 NTYAOPPYBIQVHA-DYESRHJHSA-N 425.533 2.490 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCCO)CC1 1539441432 OUOVNXZHNKGSRX-UHFFFAOYSA-N 425.533 2.024 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1539446518 FBYHOLLFKARKRA-OAQYLSRUSA-N 436.560 2.025 30 10 IEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 1539498747 ZHYJMMBGLKBRTH-UHFFFAOYSA-N 442.513 2.148 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539752220 GIDXVQMILBPJHF-HSZRJFAPSA-N 437.548 2.072 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539855842 IZXFTCIZSUVQCS-QFIPXVFZSA-N 446.573 2.180 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539967832 UXGPCBOBIOZQJT-OPAMFIHVSA-N 430.553 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1540902348 HPNANLOPLYGECN-UHFFFAOYSA-N 435.516 2.221 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540916067 SEQNMTJOMRSYJC-QZTJIDSGSA-N 435.594 2.267 30 10 IEEE CC(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1541361244 AOOGOFXUDHJVFI-FQEVSTJZSA-N 433.516 2.263 30 10 IEEE CC(C)CCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1541532445 VUOTVGPHPQGBIS-MRXNPFEDSA-N 437.504 2.385 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1541798141 CIIZADYWDKTUBU-BTYIYWSLSA-N 446.939 2.405 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1541803037 BPEFZQAMWUSIAZ-DBXWQHBBSA-N 434.610 2.466 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)cc1 1542482676 APWKCBNIYFXAAM-NHCUHLMSSA-N 441.532 2.480 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1 1543352942 APRNOOLKUMEXSP-UHFFFAOYSA-N 449.554 2.062 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)c1 1544608876 XTFLQOYSPPXQRU-FLVDCRJSSA-N 437.566 2.301 30 10 IEEE COc1ncccc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1555127674 GDVRIUPJJABZGK-UHFFFAOYSA-N 431.500 2.360 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1nncn1-c1ccccc1 1555625760 GXVWRYXQQOLTAC-QGZVFWFLSA-N 436.520 2.371 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(=O)N(CCC(F)(F)F)C3)C2)C1 1556653506 ICMFQXHVNKMEQW-BIWSTMPVSA-N 444.454 2.354 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1558300199 JRSPVYPYWJDLHM-VQIMIIECSA-N 449.573 2.482 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cc1Br 1561614431 GYOWMZZTILCZJK-LLVKDONJSA-N 430.299 2.093 30 10 IEEE C#CCN(C(=O)Nc1cn(C)nc1C(N)=O)[C@H]1CCOc2ccc(Br)cc21 1563237475 HNHGGRYHGAIMSF-AWEZNQCLSA-N 432.278 2.272 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3cccc(Br)c3Cl)C2)c(=O)nc1O 1564931273 SEWOWDIUMZAANU-UHFFFAOYSA-N 438.669 2.003 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)c(=O)nc1O 1565104508 VFALYQKRLNTIDZ-MRXNPFEDSA-N 446.305 2.350 30 10 IEEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)C1 1570817248 UDHJWHKHJBQDEL-GFCCVEGCSA-N 446.310 2.027 30 10 IEEE Cc1cccnc1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587318429 CEOKNWUZYMUQRF-UHFFFAOYSA-N 426.542 2.411 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCCC2)CCOCC1 1587684356 WVFDCRNXNJSXJM-AABGKKOBSA-N 431.581 2.105 30 10 IEEE C#CCCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1587792799 APJYRCDFUMGPNL-DEOSSOPVSA-N 449.559 2.327 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1Cl 1587905244 YWCYVTVMESLYDY-UHFFFAOYSA-N 431.924 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1588246041 ZTZGGXZIZJIMQJ-GOSISDBHSA-N 447.539 2.244 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1588265795 HLYVSYMCLPORLY-DLBZAZTESA-N 431.562 2.304 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)CC1 1588871510 GAWSAKTZCXKAQL-JOCHJYFZSA-N 445.951 2.071 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1593825918 GDVSQHNATNJMBO-AWEZNQCLSA-N 440.729 2.411 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593932949 SHFJYBHMWAPEMA-ABSDTBQOSA-N 426.945 2.455 30 10 IEEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1597799637 DTJITSLIUGIKSD-LJQANCHMSA-N 446.550 2.184 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(C(=O)NC)c1 1613527816 AWTHPJCONBWAIM-HNNXBMFYSA-N 425.537 2.200 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(F)c(N4CCOCC4)c(F)c3)C2=O)cc1 1618730368 GSHPCOVNLWFJEJ-HXUWFJFHSA-N 440.450 2.204 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC[C@H]1C 1619517764 SOXIKOBOOFUIDA-APWZRJJASA-N 446.577 2.006 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1619910371 HBNYPKMYCTWDAY-SFHVURJKSA-N 426.521 2.235 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCS2)cc1 1620351835 HBHCTLZWKIFOCN-AEFFLSMTSA-N 426.546 2.326 30 10 IEEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@](C#N)(c2ccccn2)C1 1620484433 XGVJMTGMDSVDQE-QMHKHESXSA-N 435.484 2.447 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 1620594085 GNRIPXUNXBKVMD-TZIWHRDSSA-N 432.540 2.490 30 10 IEEE CO[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@](C)(C(=O)N[C@@H](C#N)CO)C1 1627548219 ANXAQSAJHJMTKA-XOWTYJCDSA-N 449.507 2.416 30 10 IEEE CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1628360894 NQLDVKJOEYJAAJ-VQTJNVASSA-N 438.503 2.407 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c(=O)nc1O 1629881887 CNQIFSIZIKCVJH-INIZCTEOSA-N 446.305 2.424 30 10 IEEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1630680718 OBOWSDQNBDPYML-RMKNXTFCSA-N 425.420 2.060 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1636392888 YSLUJWQDMYLITL-HUUCEWRRSA-N 436.896 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 1636794728 QEFJILLVRPPWSE-WIWAJNDWSA-N 446.548 2.399 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1637389015 AMIMYBXQSISUPC-ZDUSSCGKSA-N 434.345 2.048 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)Cc3ccccc3CC#N)CC2)cc1 1638323691 HBPFLGQPTIPVFV-UHFFFAOYSA-N 445.566 2.303 30 10 IEEE Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1638922675 UAEWCAJGXPFYKL-FQEVSTJZSA-N 444.381 2.298 30 10 IEEE COC(=O)[C@H](C)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1638960985 ZKNUXUVHPCRRFY-CQSZACIVSA-N 429.498 2.421 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c1 1640885704 GHWIIHCMLYQQEL-KXBFYZLASA-N 442.541 2.199 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](O)c3cccc(OC)c3)CC2)cc1 1643043596 PNAXTQBTJMCFCE-JOCHJYFZSA-N 442.537 2.193 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CO1 1648486759 BVARCPIPDGPTFW-RBUKOAKNSA-N 428.533 2.480 30 10 IEEE CC(C)[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1CCN(C)CC1 1648600500 QZFJFFPGTJPSHB-ZUKXXSLGSA-N 447.624 2.161 30 10 IEEE CC1(N2CCCC2)CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1652099577 UCTVLXCUDIYVBO-UHFFFAOYSA-N 432.590 2.419 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1csnc1-c1ccccc1 1662840949 FBWUDHGQAWJSSU-CQSZACIVSA-N 426.527 2.371 30 10 IEEE COc1cc2c(cc1OC)[C@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)CCCC2 1675576529 JFZGMRUXRPOELQ-XPIZARPCSA-N 433.530 2.051 30 10 IEEE CC#CC[C@@H](CO)NC(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1678354912 JIZKNAYOSVUDOR-LEWJYISDSA-N 443.569 2.397 30 10 IEEE C#CC[C@H]1CCN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1679143748 NOGQEESESYVJGD-SFHVURJKSA-N 449.573 2.159 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1679169340 FSLGZVUMZJZABY-QAQDUYKDSA-N 449.573 2.348 30 10 IEEE Cc1ccc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cc1 1681226364 GAZWFRLHAZJXRN-FUHWJXTLSA-N 427.505 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1689850965 JYIQVQJLCBQHCH-OKZBNKHCSA-N 445.564 2.304 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 1689915031 NUKSTXQFJTVPSH-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1689966335 PHYLSNSIOPJBAH-CABCVRRESA-N 441.479 2.080 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689993470 FEFNLKPHFRRWRR-LPHOPBHVSA-N 446.548 2.464 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1690210795 LOKBEXZMHNWREQ-GHTZIAJQSA-N 430.578 2.099 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1690245550 JUVBLXQDYVOKAV-XWSJACJDSA-N 438.594 2.023 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1C 1690250842 MDOHYDPGYHQNDP-LAUBAEHRSA-N 427.553 2.060 30 10 IEEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)C1 1690420591 PKPGBXVTFGWUMM-UHFFFAOYSA-N 445.593 2.085 30 10 IEEE C=CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O)C1CC1 1690549487 DYFIHDVWWMANPS-UHFFFAOYSA-N 435.525 2.187 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690972652 FMPWYYMATPNMEN-HKARXFIJSA-N 438.532 2.116 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1692237599 ABVCZWAAQHDESW-UNMCSNQZSA-N 437.592 2.416 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1([S@@](C)=O)CC1 1694724369 BKPPTGNYHNRRSW-SSEXGKCCSA-N 426.590 2.336 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1696785239 GANMPRDKQOYNMI-LJQANCHMSA-N 430.516 2.200 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3CCCCCO)CC2)nc1 1698489368 PFBKXBYOOXLMTO-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1698493133 IYNJMQRIWAHIBL-ZIAGYGMSSA-N 437.426 2.300 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705581930 OUGWIZBUWWJFNG-HXUWFJFHSA-N 442.541 2.075 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2CC2(CN3CCOCC3)CCCCC2)CC1 1705632413 PIKPPQGUXLEVLV-UHFFFAOYSA-N 428.625 2.439 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCC2)CC1 1705644021 XBQMZGRFMUOXDR-SFHVURJKSA-N 444.580 2.020 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@H]2C)CC1 1705648189 RIFGYSYWCNIVDT-YLJYHZDGSA-N 436.560 2.287 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705664569 SXMSASAWSGBFHC-JOCHJYFZSA-N 438.557 2.058 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705676605 HZDCJZVFJMRKBI-AXHZCLLHSA-N 442.608 2.280 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)C1 1705709386 OKOPNXVYEDYQPF-HRAATJIYSA-N 443.573 2.496 30 10 IEEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CCOC1(C)C 1708272412 COTYCSGPDZMZRM-QGZVFWFLSA-N 436.520 2.414 30 10 IEEE CCCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1709849995 AJSSCYPACPALJN-UHFFFAOYSA-N 445.955 2.192 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)C1 1710344969 BNMPXYAHTRFLGV-INIZCTEOSA-N 438.504 2.380 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1710630205 FQBWYDLSXCIYQE-KRWDZBQOSA-N 426.521 2.103 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1CCS(=O)(=O)CC1 1711086871 ZNPGJOUXOSXAFO-LJQANCHMSA-N 429.546 2.462 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1711975327 ANCUFGIHDVWMET-NRFANRHFSA-N 447.536 2.144 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1NC(=O)CC1(C)C 1711999980 GSGZPKJXPFMTQX-MAUKXSAKSA-N 426.521 2.376 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCc3nccn3C2)c1 1722307356 LPGJNPIQSZSTAV-LJQANCHMSA-N 447.543 2.330 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1722350479 BALOYDPHFOEQNI-YQVWRLOYSA-N 447.630 2.394 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCNC(=O)Cc1cccc(F)c1 1722399483 PEZQZJLYJPWNME-UHFFFAOYSA-N 444.514 2.225 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1722437502 UMPCGKNZAMXVOB-JPYJTQIMSA-N 443.979 2.488 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1722527923 CHEKDFPDBBYOAN-DLBZAZTESA-N 449.577 2.269 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1722534427 MXLOCNBJZPHALQ-GOSISDBHSA-N 435.532 2.390 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)CC1 1722580659 FMLHLSDXSGXDHX-MOPGFXCFSA-N 435.594 2.370 30 10 IEEE C=CCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722691610 WOGXBEOMIFRNIV-DENIHFKCSA-N 430.553 2.223 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](COC)OC)C1 1722714903 POYSAPWODIHQAG-JKSUJKDBSA-N 440.504 2.037 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N(C)CC)C1 1722715082 NHZLVIBBPXULMN-QGZVFWFLSA-N 429.521 2.222 30 10 IEEE COCCCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)cc1 1730709397 FUMXKTIIKRACRW-FQEVSTJZSA-N 436.516 2.476 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(S(C)(=O)=O)CCC2)c1 1740563387 XOKRWAWIOXTPKQ-UHFFFAOYSA-N 443.573 2.425 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740596550 AYFDVUZJUMSBIA-SFHVURJKSA-N 443.573 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCOCC1 1740648418 KURUUCWQSVAGKV-GOSISDBHSA-N 426.952 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1740706518 VCWBGIXYLGNHKI-INIZCTEOSA-N 444.580 2.377 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740756332 GTIYKLREWBGZPJ-WDSOQIARSA-N 443.552 2.375 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1740758801 BZFGUAWPGADMSL-VQIMIIECSA-N 445.593 2.076 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1740868762 SCBBQTVROXCSQY-ZBFHGGJFSA-N 449.581 2.499 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1C 1740920016 ADRVYAWMUYOVAL-UHFFFAOYSA-N 435.517 2.356 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740961640 WAMBFQCZVJPFNP-SFHVURJKSA-N 442.539 2.053 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(F)F)CCN2C1=O 1746340288 DUGBCQPFLLHBEE-MRXNPFEDSA-N 443.458 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1748637801 GHCWNSKLXOJVLY-LPHOPBHVSA-N 438.532 2.040 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1nc(C)cc1C 1748656792 ZAVOHRRGWVMYDA-KRWDZBQOSA-N 430.520 2.282 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748667077 MXSRRBJTXKZRIP-GVDBMIGSSA-N 442.564 2.477 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1CC 1748800009 YKEQCTYJACVYEW-UHFFFAOYSA-N 425.562 2.246 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C 1749137150 WKULTOAEEYDSFJ-YWZLYKJASA-N 447.971 2.405 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC[C@H]1C 1749220100 AZVKYWFBYBOTPX-VQIMIIECSA-N 447.561 2.025 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749280634 NQPIBIJOMAGBFE-HNNXBMFYSA-N 448.886 2.221 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1749462301 SPDPHGQXGQJFEF-GOSISDBHSA-N 446.577 2.193 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1749659792 JNLBAURLDPBVPJ-UHFFFAOYSA-N 448.556 2.292 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCN(C)C2)C1 1749717074 GMVYDQHNPUFHAJ-HYBUGGRVSA-N 441.576 2.322 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)n1 1751614143 HRJKZYKWJSXRNS-DYESRHJHSA-N 449.481 2.447 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1 1760123836 LWMHJCKGFBMDNB-RTBURBONSA-N 427.549 2.292 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CCC)OC 1760200293 BPNKSJRNEOCSHY-KRWDZBQOSA-N 428.562 2.126 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(C)COCCO2)CC1 1760263702 LULSVNFMRMURLO-QHCPKHFHSA-N 441.601 2.440 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760279002 ODWBVZXTXMXRFU-UHFFFAOYSA-N 448.478 2.417 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760450967 WOEFJOMXBRWCDP-XMSQKQJNSA-N 430.553 2.250 30 10 IEEE C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N)N(C)C1CC1 1760690487 DADGQDLCGJOBBH-HOTGVXAUSA-N 444.609 2.317 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(C)(=O)=O)CC1 1761554604 TXHVLIDJECBAOL-UHFFFAOYSA-N 437.957 2.063 30 10 IEEE CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1764059358 APNKSVWCJMUDFR-UGKGYDQZSA-N 442.543 2.314 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(CS(C)(=O)=O)CC1 1767087553 AYNVLCWZMDVKAF-UHFFFAOYSA-N 439.545 2.011 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1770525572 XPUUTYYNFYUWKH-GOSISDBHSA-N 449.602 2.210 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1771267828 XZZJWSCAOQGPFB-WOJBJXKFSA-N 438.532 2.117 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1771536703 AFPBVLZMHURWKH-MRXNPFEDSA-N 435.454 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nnn(C)n1 1772516175 WCMKHIIBXMBRNV-UHFFFAOYSA-N 432.532 2.189 30 10 IEEE N#Cc1cccnc1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1849011461 MRMNSVMSAMWXOL-SFHVURJKSA-N 432.480 2.484 30 10 IEEE COc1nc(C)c(C#N)c(NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)cc2)n1 1851445462 JCIHLMMQOGPOCL-UHFFFAOYSA-N 436.516 2.219 30 10 IEEE CN(C)c1ccnc(N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc2)c1C#N 1852247943 HRIMTURALLBKLN-UHFFFAOYSA-N 425.514 2.108 30 10 IEEE C=CCOc1cc(OCC=C)cc(C(=O)N2CCC(Cn3ccc(=O)n(C)c3=O)CC2)c1 1852798220 RMMJRRQDUOOUNY-UHFFFAOYSA-N 439.512 2.229 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1F 1854562350 HLFNIZQPFHIESK-UHFFFAOYSA-N 429.473 2.290 30 10 IEEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 1855725146 SIHNJRHCONMRKZ-HNNXBMFYSA-N 425.938 2.114 30 10 IEEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855740113 OHPRNELWFHODHD-ZIAGYGMSSA-N 425.457 2.132 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccc2C(=O)O)cc1OC 1862572893 OPZNBJJDDDIIIN-HXPMCKFVSA-N 441.436 2.361 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1C 1862605566 XQTQPAWRPQVECO-NRFANRHFSA-N 436.464 2.481 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862677312 CSUJQCRWPRAMEC-IBGZPJMESA-N 428.416 2.254 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862677344 ADBKMXXDGRZFOE-GOSISDBHSA-N 426.400 2.238 30 10 IEEE COC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(O)c(O)c1 1874296461 CIHUFYDJAKJMAM-KEBDBYFISA-N 443.441 2.336 30 10 IEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)NCc4ccc(C#N)s4)C3)sc2c1 1890506202 JKLGUDAHMHKMKW-UHFFFAOYSA-N 432.552 2.386 30 10 IEEE COc1cc(N2C[C@H](CNC(=O)Cc3ccc(C#N)cc3)OC2=O)cc(OC)c1OC 1890883484 AGXZWHSDYUMXIV-KRWDZBQOSA-N 425.441 2.268 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)c1 1891296859 LZONMSLQCSVODU-UHFFFAOYSA-N 425.855 2.284 30 10 IEEE C#CCOC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 1891637248 SEGYWQSHLCNDHZ-UHFFFAOYSA-N 430.979 2.443 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC#CCO)cc1I 1984897393 JFVQROBFKXPEEE-UHFFFAOYSA-N 430.242 2.364 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 1985008801 YFDPKWMRKATIJN-PMPSAXMXSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2060640603 WTAYHKWQGZVRNG-KSFYIVLOSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2060825832 MYQFWBMDUGCPHL-ROKPMTFOSA-N 440.544 2.249 30 10 IEEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)c(Br)c1=O 2162337799 LSXRVAMOKSLKMW-TZMCWYRMSA-N 441.326 2.075 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435096 KOEOPNYSACDUNP-CABCVRRESA-N 430.376 2.491 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247833070 AGVDGLPFAMOVAI-CHWSQXEVSA-N 437.371 2.333 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255342482 XAJUKESGMDJVKX-HOTGVXAUSA-N 433.358 2.309 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267191663 GFJCHBQIWWWTRM-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267275039 IYBCRMXATUXJQO-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267517172 OJXFFYNFWZEPAO-LSDHHAIUSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267521895 RPBXADXGROTFRB-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267872683 USMFRTURBQQQGR-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267873401 PGZGXXCKSHPDIR-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268635046 MXMVTEFTBPAEMA-VKJFTORMSA-N 448.369 2.437 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268669337 MRJZUEGZZJCACF-KRWDZBQOSA-N 446.353 2.415 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)n1 2315389646 FLPBZERPUFDCJT-QGZVFWFLSA-N 433.358 2.107 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330972172 OQIVCDPBHJMKHA-ZDUSSCGKSA-N 436.490 2.303 30 10 IEEE COCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(O)cc1O 2331279540 LCHWMRIMICKUGD-UHFFFAOYSA-N 432.458 2.432 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1 2337201885 ATIUCMDSNRPOBU-LJQANCHMSA-N 438.381 2.361 30 10 IEEE C[C@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCC2 23400459 HDVJDNUGCSNWBE-NSHDSACASA-N 441.465 2.137 30 10 IEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(CCC#N)C2)cc1 62040731 DYESBKTWBNWDKO-MRXNPFEDSA-N 435.550 2.243 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 97060882 UHBIECYZMGJJCR-UHFFFAOYSA-N 427.430 2.262 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105287989 HSXKGWWBCHTCKJ-UHFFFAOYSA-N 441.557 2.255 30 10 IEEE CCn1c(=O)/c(=C\c2ccc3c(c2)OCO3)s/c1=C(\C#N)C(=O)Nc1ccc(C)cc1 105344411 MLEIGAWBZNAKED-BARYTPFTSA-N 433.489 2.109 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ncn(Cc4cccc(F)c4)n3)C2=O)cc1 436313820 CLEASFVWUMGNBM-HXUWFJFHSA-N 447.474 2.332 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2CN2CCOCC2)c1 443472581 CICORVZZEBOUOT-INIZCTEOSA-N 428.352 2.196 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 460556943 WUGFLBCBVYSZEV-UHFFFAOYSA-N 433.578 2.336 30 10 IEEE CCOC(=O)c1cnc(N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)s1 464760389 GNHUSUDZHYDTOT-KRWDZBQOSA-N 425.514 2.119 30 10 IEEE Cn1ccnc(N2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)c1=O 465234051 LZMVFYFHVRVTLU-UHFFFAOYSA-N 429.480 2.193 30 10 IEEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)ccc21 499409615 VNAYKUFQIVMGHN-HNNXBMFYSA-N 427.258 2.467 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508489809 OUMNORGPVCEYDF-DEOSSOPVSA-N 447.543 2.358 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 508512000 WJGFNIICYSYMJW-QGZVFWFLSA-N 435.594 2.032 30 10 IEEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508798347 SDXCMSKZPNSQLS-UHFFFAOYSA-N 437.541 2.067 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 525831119 FTQQLALIXSOLME-AWEZNQCLSA-N 439.287 2.304 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccc(N5CCNC(=O)C5)cc4)no3)cc2C1=O 544871604 PODMVKLWLIAKBC-UHFFFAOYSA-N 429.436 2.122 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)CC2)n1 546172302 LOPBHUGZUVSZOS-UHFFFAOYSA-N 439.466 2.432 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(CCc4ccco4)n3C[C@H]3CCCO3)CC2)n1 549855227 PTDIOHMQFKLWRI-HXUWFJFHSA-N 433.516 2.429 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 555264314 WNIXOSPNLWKSTB-IBGZPJMESA-N 445.951 2.487 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 559011946 WYPKJERCRYBLOL-KRWDZBQOSA-N 429.525 2.212 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@]2(CNC(=O)C2)C1 566868273 YGKDTOPPERXGFC-DEOSSOPVSA-N 447.543 2.358 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCCN(CC)CC1 568448124 WNDCGNZDSWMUDH-UHFFFAOYSA-N 444.605 2.448 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 670232694 BSIAPQVTGMOZSY-QGZVFWFLSA-N 445.593 2.228 30 10 IEEE CC(=NNc1ccc(Br)cn1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 727266080 JBPJPSVKLYTROT-UHFFFAOYSA-N 438.351 2.274 30 10 IEEE CCOc1ccccc1[C@H](CC(=O)NS(=O)(=O)Cc1ccccc1C#N)NC(C)=O 728409187 MBJSXWDAIVSQSC-IBGZPJMESA-N 429.498 2.170 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCN3CCC[C@@H]3C2)C1=O 730140632 GZOUTVIFFRJTAR-AABGKKOBSA-N 443.617 2.313 30 10 IEEE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 744792565 GASLWAOMVARTLU-IOBOIYPZSA-N 441.594 2.443 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccc(OC)c(C#N)c2)C1=O 746523355 STJJGFDERGFDQP-MJOLOOBESA-N 437.525 2.141 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2C)n1 764566426 DNBACOAOVDPSKD-GOSISDBHSA-N 445.483 2.251 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)c(C)o1 767959147 PRWXLWNJLBBRGS-UHFFFAOYSA-N 425.554 2.259 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCC2CCS(=O)(=O)CC2)C1=O 768421145 KIUIHKDYMPCESF-KRWDZBQOSA-N 437.587 2.278 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)[C@@H]1CCS(=O)(=O)C1 774037396 XLPXFGHRASOYSH-LJQANCHMSA-N 443.500 2.410 30 10 IEEE C#CCN(C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@@H]1CCS(=O)(=O)C1 774154647 UHYGTMNPJKZTSM-GOSISDBHSA-N 432.542 2.102 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)cc1C#N 774337703 PODMSHQFXBJKQS-GDLZYMKVSA-N 425.388 2.449 30 10 IEEE N#Cc1ccc(CNC(=O)COC(=O)c2c(N)cccc2I)cc1 780276924 FGYBZJXHMYFGIC-UHFFFAOYSA-N 435.221 2.218 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780854404 HPRXINOCEYOWOE-NRFANRHFSA-N 427.526 2.077 30 10 IEEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1OC 781933873 PQWACKURJAIALB-MZOGBMEOSA-N 429.473 2.264 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782602335 WDHWSLKFXFNHPL-UHFFFAOYSA-N 426.477 2.412 30 10 IEEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782885499 ULBKEBFTLQKDSE-ZWNOBZJWSA-N 448.442 2.350 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCSc1ccc([N+](=O)[O-])cc1 784936116 OGAPKZLQHIAMEW-CYBMUJFWSA-N 435.483 2.469 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCSC2)C1=O 790283921 WRJUZSLMENVIND-YJBOKZPZSA-N 445.614 2.311 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC 796456873 WLHKLIOMBLANHU-LJQANCHMSA-N 432.517 2.496 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)cc1 798812710 IRAJTWQHQXFMEG-LEWJYISDSA-N 436.493 2.386 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)COc2ccsc2)CC1 800311395 UAQUYTFTIRUPHN-UHFFFAOYSA-N 442.453 2.139 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 809917464 KWMGSAGXLYNBIU-MSOLQXFVSA-N 448.568 2.125 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 812250216 DUYDITLJNAKUEF-LJQANCHMSA-N 449.552 2.046 30 10 IEEE Cc1c(F)cccc1NC(=O)CSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084191278 JOPRQAHPLODKES-UHFFFAOYSA-N 431.501 2.394 30 10 IEEE N#Cc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)c1 1084616760 YNLKPLAJUIODSW-UHFFFAOYSA-N 438.429 2.467 30 10 IEEE CCc1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NCCOC)cc1 1115984612 AITPGTMJMOZRDA-UHFFFAOYSA-O 436.579 2.167 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)COc1cccc(Br)c1C#N 1127658184 YAVDJPYMFVCDQK-UHFFFAOYSA-N 442.269 2.454 30 10 IEEE COc1cccc(Cn2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2=O)n1 1134971577 POBXAEFWQKWGRZ-KRWDZBQOSA-N 443.463 2.163 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)c1 1135884050 ZWJGVQTYLYAXTO-UHFFFAOYSA-N 446.485 2.157 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 1135889513 LPSYJGFBUSNNNZ-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC(=O)Nc2ccccn2)C1 1136499339 UYYKYTLZRHZBGB-UHFFFAOYSA-N 428.290 2.297 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 1156264768 DFPTXYRUJLMFPF-MRXNPFEDSA-N 427.509 2.104 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1174688147 QCAMOXCAAUCUFS-IAGOWNOFSA-N 433.505 2.212 30 10 IEEE C=CCc1cc(CNC(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc(OC)c1OC 1221551986 ACQOSPVOEYSRCT-UHFFFAOYSA-N 447.532 2.033 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286335105 FIALKSWUMGYQDR-UHFFFAOYSA-N 428.562 2.244 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1286393947 MLCNNJVKBAOLSO-IBGZPJMESA-N 427.574 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1286420431 FJTAVUWGTQNVDZ-UHFFFAOYSA-N 433.493 2.324 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286612305 CPOKELITHBHKCS-NRFANRHFSA-N 443.596 2.033 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286771042 UDBSGFWTRUGQQI-QGZVFWFLSA-N 444.511 2.317 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OCCc2ccccc2)CC1 1286788463 WVHCXKLPXJVIDZ-FQEVSTJZSA-N 439.560 2.312 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286798874 MRXJOYRQRVMNEW-MJGOQNOKSA-N 425.533 2.221 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(C)(=O)=O)C1 1286799805 AHNTUMDHGUDNFG-CRAIPNDOSA-N 438.525 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOC[C@@H]2C)C1 1286808294 VGQXSCXETVJRDG-PZJWPPBQSA-N 441.576 2.380 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN(C(C)=O)C2)C1 1286814283 OVSKPVQMYSIVFG-TUFLPTIASA-N 447.580 2.042 30 10 IEEE CC(C)N(C)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1287919921 HSBJRMISTNVIJC-UHFFFAOYSA-N 445.575 2.269 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2([S@](C)=O)CC2)CCOC1 1288313250 RTSQIVQDVHFTEA-LWEXLBLSSA-N 435.594 2.360 30 10 IEEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1291290458 ACSVLZWBXYDDSI-HDICACEKSA-N 426.569 2.308 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C(C)C 1300285160 XKMXYMMHMHMXRA-IERDGZPVSA-N 433.578 2.060 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1300291650 UPSGMESCQVULGD-CQLPTELBSA-N 441.495 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC1 1300505689 FSGLZQHLTCDUGH-UHFFFAOYSA-N 446.555 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN(C)C(C)C)CC1 1300718923 INGBBRVKQBPLEB-UHFFFAOYSA-N 438.576 2.260 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1301194331 IOTMATOVKLSPPE-QGZVFWFLSA-N 442.568 2.331 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301211049 CELKQYMJVHFMBR-KRWDZBQOSA-N 447.561 2.201 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nccc(C(F)(F)F)n2)n1 1304487913 YLURKPAQLZOYPP-AWEZNQCLSA-N 444.421 2.429 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1C 1304491918 VJDVQOSICFHLRM-UHFFFAOYSA-N 432.571 2.462 30 10 IEEE CONC(=O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CC1 1308056458 WAHFDFBZLGNDOK-UHFFFAOYSA-N 441.507 2.492 30 10 IEEE N#C[C@]12CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)C[C@H]1CS(=O)(=O)C2 1312620697 WHUBCJHGOMFNAW-ZILJWTLNSA-N 442.310 2.024 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313665961 FORHDFXOWLIHMM-HNAYVOBHSA-N 425.537 2.395 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)ncn1 1315062497 NBSFADNGBKZGJM-KZNAEPCWSA-N 439.568 2.411 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C 1315229755 VVTPVGXAFIOALN-DFQSSKMNSA-N 438.532 2.115 30 10 IEEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316364554 BSKDDLCBDVVVJS-HZAQMHFWSA-N 428.493 2.082 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(O)CC2)C1 1316527725 OYDYTQZCMNGLRK-OAQYLSRUSA-N 443.483 2.142 30 10 IEEE COCCn1cnc2c1c(=O)n(Cc1cc(Cl)ccc1OCC#N)c(=O)n2CC(C)C 1321895527 MNSUTAWHKFMQSS-UHFFFAOYSA-N 445.907 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1358989290 WSOZBCZYEQWIBM-GYHWCHFESA-N 442.523 2.497 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(F)c2)CC1 1359030677 BIQCKXVPRDYREG-HSZRJFAPSA-N 427.524 2.067 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359080863 GUDMRNWWSADZEO-MRXNPFEDSA-N 433.354 2.407 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1359103632 QRMQVKRRYKWVFZ-CVDCTZTESA-N 439.560 2.332 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1359131589 YTGUKMCMPTZVPQ-IAGOWNOFSA-N 438.532 2.398 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1359351223 BVGVFIRRCJDKHO-UHFFFAOYSA-N 437.548 2.036 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1361287753 AXGNXAABURYNNU-UHFFFAOYSA-N 431.378 2.374 30 10 IEEE C[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1446028309 ZHRSVSRPQNFHOF-QRWLVFNGSA-N 446.548 2.322 30 10 IEEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1459912359 MPBIVYPLJMGZLH-GBESFXJTSA-N 449.596 2.163 30 10 IEEE COc1cc(OC)nc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 1464960870 BRHPLBREAHGUGQ-HNNXBMFYSA-N 446.305 2.279 30 10 IEEE CC(C)(C)c1cc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)n(-c2ccc(C#N)cc2)n1 1466520023 IAXCUZNUHYEMRU-KRWDZBQOSA-N 445.545 2.055 30 10 IEEE C#CCN(CC(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1)C(=O)OC(C)(C)C 1467533894 ASQUTXUUKGYYJF-KRWDZBQOSA-N 449.573 2.301 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Br)s1 1468477702 HVMFYQLVSHFHGY-LLVKDONJSA-N 435.365 2.315 30 10 IEEE C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)C1 1494353332 UDGYSNRVZLXCTD-VXAPJYQHSA-N 428.537 2.181 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1507564534 RTDBAXIIZBNZMT-IBGZPJMESA-N 437.548 2.255 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507738746 XGBKRIZGOFIRCS-OSPHWJPCSA-N 436.560 2.165 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCO)c(OC)c1 1507765005 GLIJWKNPRKUSFO-HSZRJFAPSA-N 436.516 2.099 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1507812318 LLRJPOKUGMVKOJ-HNNXBMFYSA-N 434.566 2.297 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1507955002 UCHJPEIURUICFK-QGZVFWFLSA-N 439.607 2.318 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1508701005 CNOJYXVTVRWPIO-WJFTUGDTSA-N 433.553 2.121 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCc1cnc2c(Cl)cnn2c1 1509620143 KAMPLUXELWYEJN-UHFFFAOYSA-N 441.927 2.095 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1509822872 ISIBTARPKFPFNZ-GMAHTHKFSA-N 447.580 2.380 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CCO1 1512497621 HXTIGMSJRZPVGD-INIZCTEOSA-N 426.521 2.259 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(O)c1 1539028460 AFSRODIRNBWUDV-AWEZNQCLSA-N 425.514 2.490 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1539140522 OVQHFYJSEVZQSD-QHCPKHFHSA-N 444.580 2.072 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216308 QCNVJUGHNIYESW-QZTJIDSGSA-N 433.603 2.147 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nccn1C(F)F 1539299358 IQRYWTYQSYJZBK-NRFANRHFSA-N 432.475 2.422 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCOCC2)c1 1539423085 RRPKZQHUIAWZOU-OAQYLSRUSA-N 425.533 2.101 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(F)c(F)c2)CC1 1539488592 BIOMYFWLTUSMJG-LJQANCHMSA-N 429.471 2.422 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1539548533 OWYGCJKRTIVGQK-HSZRJFAPSA-N 447.547 2.218 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1539643439 WBOQZMVEKLCRTN-VGOFRKELSA-N 441.532 2.173 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539717650 OQXKTYLNVKVCQB-UHFFFAOYSA-N 437.541 2.338 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1543136683 BNWCSYILBHVARZ-INIZCTEOSA-N 445.277 2.357 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1548288369 BBOSMYANCWTTDJ-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1548322612 OANYUTVCUKQLNX-GOSISDBHSA-N 447.561 2.025 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCC2)CC1 1552739556 MEDQRDBXSZLCSE-LJQANCHMSA-N 433.560 2.383 30 10 IEEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1555486182 ANUMTBSUPSURPP-UHFFFAOYSA-N 426.521 2.372 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3cnc(Br)cc23)cc1 1557877008 NZQUXTSTABVELL-UHFFFAOYSA-N 436.291 2.437 30 10 IEEE Nc1nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc(C(F)(F)C(F)(F)F)n1 1559092870 ZPPJYSKZHUWTLE-UHFFFAOYSA-N 438.307 2.349 30 10 IEEE N#Cc1cn(CCNC(=O)Cc2cccc(OCc3ccccc3Cl)c2)c(=O)nc1O 1585295496 GVTHZJDXTPHIDR-UHFFFAOYSA-N 438.871 2.412 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587807855 JWFFZCBPANHFTH-KRWDZBQOSA-N 449.552 2.442 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1587989107 HCMZUAMHTBBKQH-SFHVURJKSA-N 443.573 2.283 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCOC[C@@H]1OC 1588093714 NPGXJLFJTZOUII-QAPCUYQASA-N 446.349 2.170 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1588550161 JLWTVVAXLMRBCV-OALUTQOASA-N 446.548 2.386 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1589088618 BRXNHCTZZQOOJH-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1594193667 SMGBZNUXJMTAMH-WMZHIEFXSA-N 433.597 2.442 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1594867897 QSPOWKXVZNESTH-LPHOPBHVSA-N 447.502 2.206 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1594963517 ULCZYZZQOAFVEM-KRWDZBQOSA-N 447.586 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595530235 XQDTYTJMMPKZQY-QHCPKHFHSA-N 436.491 2.188 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1596056305 CMNFTHMLTJQTPA-HNNXBMFYSA-N 432.477 2.100 30 10 IEEE CC(=O)Nc1ccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)cn1 1596355056 IYTMHTBKTPPVHC-ZHRRBRCNSA-N 441.536 2.316 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3cnn(C)c3I)CC2)o1 1611149246 FASVFTDAZYMLLE-UHFFFAOYSA-N 440.245 2.048 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCCC[C@H]2C)CCOC1 1616264045 UHBSZSVMYUNCSX-TXTKFYIRSA-N 446.596 2.314 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCS2 1618557172 PGYIXFAHYHCLIQ-YYOAPQJESA-N 427.526 2.245 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCCN2CCOCC2)c1 1631211072 CITZGSILEOEGNO-NRFANRHFSA-N 445.560 2.321 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCCN2CCC[C@H]2CO)C1 1631275074 XZMFODNPWSRPEP-SFHVURJKSA-N 435.366 2.110 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccccc2C#N)CC1 1632424973 HKYHEUAUTJMNBM-KRWDZBQOSA-N 430.505 2.053 30 10 IEEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1634077598 FARPREGAPWAXLX-UHFFFAOYSA-N 444.362 2.180 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)[nH]2)c1 1635917344 ZLMJKFWNEGODIM-ICSRJNTNSA-N 430.386 2.376 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(CN4CCNC4=O)CC3)C2)C1 1639633916 QHZDYLRHBFNSLC-OTQYULQBSA-N 445.564 2.037 30 10 IEEE C=CC1(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1643029126 NYNGFGXSAFVCAR-JKSUJKDBSA-N 439.553 2.286 30 10 IEEE CC(C)(C)c1cc2n(n1)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1646077598 ZDOJRJMDINUKPK-UHFFFAOYSA-N 429.546 2.042 30 10 IEEE C=CCN(Cc1csc(CN2C(=O)c3ccccc3C2=O)n1)[C@@H]1CCS(=O)(=O)C1 1652735039 NWXPEDIFEFQYFJ-OAHLLOKOSA-N 431.539 2.114 30 10 IEEE CCOC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Cl 1654801127 WNGRETKDIKEGDX-GOSISDBHSA-N 449.916 2.301 30 10 IEEE CCn1c(=O)c(C(=O)CNC(C)(C)c2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 1655043140 UIKDUAKSPPONKT-UHFFFAOYSA-N 445.523 2.240 30 10 IEEE COc1nc(N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)ncc1Br 1657478879 FXVYSKMVCDZAGY-UHFFFAOYSA-N 433.266 2.350 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1659142584 OJHQYAOIGJCPEU-OTWHNJEPSA-N 433.574 2.158 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1scnc1C(=O)OC 1661408231 QKIJDIXPNHUOQX-HNNXBMFYSA-N 438.527 2.281 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2SC(C)C)CC1 1667000026 JUZYPZHEKWWRAB-UHFFFAOYSA-N 430.983 2.458 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1689924534 KMCMZXFSIRGBGX-UHFFFAOYSA-N 430.560 2.407 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1689930803 ZNRVKHPHOHREAB-QZTJIDSGSA-N 435.594 2.041 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689988332 MXWHXPMRBABTSH-WIYYLYMNSA-N 448.976 2.343 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690018104 UMSLOWYWQYLBPM-NRFANRHFSA-N 435.528 2.108 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1690071477 WWNJSZWEMCLZTH-QFIPXVFZSA-N 433.560 2.143 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCO 1690091006 GSJLLVXUPQEJHH-SFHVURJKSA-N 434.537 2.122 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690177574 ZLPLJJOLAGEESL-SFHVURJKSA-N 448.614 2.257 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1690669246 ZBVRHPZRRZSXON-ZDUSSCGKSA-N 425.443 2.439 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690745137 YQQMSFCBWFDYNV-GOSISDBHSA-N 447.609 2.495 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1693294600 UBAIUCSLMHMEQM-UHFFFAOYSA-N 436.516 2.167 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N1CCOCC1 1694125573 DRBHMOWWDJWXJE-OALUTQOASA-N 438.580 2.106 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1698302031 BRGSSQRGIJLCNZ-NQIIRXRSSA-N 447.536 2.207 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(Cl)nc2)cc1 1698489746 XCVCRKZRQZXXRY-MRXNPFEDSA-N 437.891 2.137 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)N(C)C 1705486191 YUNQCJRXNCNRHA-MRXNPFEDSA-N 449.577 2.090 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705518396 KUENRTVRXUNMHX-GOSISDBHSA-N 433.553 2.330 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C)c2)n1 1705631448 FTMKGWOQXDYHOG-OAQYLSRUSA-N 447.543 2.069 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1705725846 VABIUVNNICZDQW-AWEZNQCLSA-N 436.365 2.086 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705756584 IBJSWTBBDLJHHC-UHFFFAOYSA-N 443.983 2.151 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1705831740 BCBJDTRVTPQKKO-UHFFFAOYSA-N 431.541 2.011 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Br)n2)C1 1705913919 BDQGRQVKFHGQFX-HNNXBMFYSA-N 449.353 2.403 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1708515999 KEHPOHBNWZCOTA-LPHOPBHVSA-N 425.537 2.047 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCO2)cc(OC)c1OC 1711653492 CRIVBXSWWJWMIZ-IAGOWNOFSA-N 441.488 2.045 30 10 IEEE N#CCC1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)CC1 1712885393 JTGKRVATOORUIJ-UHFFFAOYSA-N 446.515 2.391 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722322862 PSKPTFQBRNPMNM-OFNKIYASSA-N 442.564 2.224 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 1722364713 MKCJLGQTCHIKHH-HOCLYGCPSA-N 444.586 2.471 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722368687 UWDYULQAENJWAX-UYAOXDASSA-N 446.548 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](F)COC 1722394387 STJMOSGERREVBX-QGZVFWFLSA-N 436.491 2.122 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)CC)CC1 1722442451 XHOFHUPVMNLBQS-JOCHJYFZSA-N 429.590 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)C2CCCCC2)CC1 1722448296 XKAQODHLOVQPMD-FQEVSTJZSA-N 442.608 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCOC(C)C)CC1 1722449560 UWCPPXYRFSACKK-UHFFFAOYSA-N 439.560 2.268 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)[C@H](C)C1 1722455198 PXRGEBSEQDBJAS-QGZVFWFLSA-N 444.561 2.377 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722493833 AAYNSSJDKVUTQL-ICSRJNTNSA-N 445.589 2.444 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1722554798 HRTMHCNMEPACDE-AWEZNQCLSA-N 437.909 2.404 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722555551 DAAKHRDUUVAMHA-UHFFFAOYSA-N 448.930 2.149 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)CCC)C1 1722717300 HVVUZORHBFOWSP-UGKGYDQZSA-N 438.536 2.253 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1723676310 IBIGTRALNHZWCY-QFIPXVFZSA-N 432.569 2.221 30 10 IEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1728724652 BJJPYVOIKCIHQI-UHFFFAOYSA-N 448.531 2.219 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1729427549 DCRYFKROHTZXMM-UHFFFAOYSA-N 432.532 2.493 30 10 IEEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1730476821 LXYKTAWBPDKNJF-VAMGGRTRSA-N 427.505 2.241 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccn1 1730749777 BIFPPXQANOQDKS-NRFANRHFSA-N 445.527 2.392 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1731188947 COHWOUISRBOGOS-FQEVSTJZSA-N 449.964 2.278 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740598158 GPWAICBTOHGRDQ-ULQDDVLXSA-N 429.487 2.488 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OCC 1740610175 UBIFQZCIZCLDDZ-UHFFFAOYSA-N 432.532 2.364 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740616479 BPWZFNOTFKKTDM-UXHICEINSA-N 447.580 2.470 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOc2ccccc21 1740639632 DOLVKBYXJPCROC-RBUKOAKNSA-N 438.553 2.209 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCc1cnn(C)c1 1740685333 FANMKLFMXHXSEH-OAQYLSRUSA-N 436.516 2.243 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nc(C(C)(C)C)cs2)CC1 1740695175 HPVPCJFJLQEEAZ-UHFFFAOYSA-N 438.605 2.431 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)O)CC1 1740701891 FJIABZTZMXOVJB-MRXNPFEDSA-N 443.523 2.294 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn3ccc(C)cc3n2)CC1 1740818403 JFMZMFTZIIPXJF-INIZCTEOSA-N 429.550 2.049 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740859670 PEXZTCTYODOOSO-IEBWSBKVSA-N 443.573 2.420 30 10 IEEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740881446 HFJGJUQPVSJAIS-MIZPHKNDSA-N 433.597 2.442 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740962075 RTPMCKXRGBBDFI-UHFFFAOYSA-N 447.543 2.317 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCCC2)C1 1740969716 ALNPYTPYCKERCE-OALUTQOASA-N 439.564 2.439 30 10 IEEE CC(C)Cc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741486728 PDZMIPALNWVRAM-VEGAHXMMSA-N 442.564 2.256 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1741795750 BNLBCALJELXYMR-GOSISDBHSA-N 449.559 2.423 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2c2cnn(C)c2)n1 1742680019 ZWBVPVRAUQABBI-QFBILLFUSA-N 436.568 2.138 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1748078082 KEYVYEXNQHQZSP-UHFFFAOYSA-N 431.500 2.252 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748677047 BITPFWQUIWOLMB-WMZOPIPTSA-N 436.482 2.375 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1749038210 INTYOUDKOUOYTC-LJQANCHMSA-N 437.573 2.479 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1749494233 PTFMQJVJRPORIA-OAHLLOKOSA-N 447.540 2.397 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1750090642 PTKRVXIATDNUSC-HZPDHXFCSA-N 429.546 2.421 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(F)c(F)c1F 1751202331 MEBWJTTWCZETCQ-VXGBXAGGSA-N 444.483 2.287 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C 1752249394 IBXIYCSQVPUJGU-NUJGCVRESA-N 429.546 2.398 30 10 IEEE CC[C@H](C)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1752645549 XXGDMNWCROEXPK-IAORGOLBSA-N 428.537 2.323 30 10 IEEE C#CCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760152896 BXAMAOXSSSLBPR-LJQANCHMSA-N 437.610 2.226 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1760184338 VWHNUKXRKLQCSM-NRFANRHFSA-N 446.536 2.195 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CCOC)C(=O)C1 1760325474 QAABDAZJZWXEAW-GHTZIAJQSA-N 445.589 2.207 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1760499794 KAKFTZDISZQAQN-LJQANCHMSA-N 449.515 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OCC=C)C1 1760515761 RLGRQYZFWXZCDD-CQSZACIVSA-N 435.326 2.119 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)C1 1760542551 MRVZMJLPEFFCAG-MSOLQXFVSA-N 438.594 2.168 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1nccc(C(F)(F)F)n1 1762609390 QYTSYFKSQVKWDT-UHFFFAOYSA-N 443.437 2.231 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1765479072 ZHIOQHASSBVUHS-LSDHHAIUSA-N 429.525 2.154 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1766222383 FVSQBKSWYHNNHU-LJQANCHMSA-N 437.548 2.038 30 10 IEEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1766550112 AMCPHMDDKGRRRJ-LJQANCHMSA-N 425.581 2.315 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1768980404 DDPPAQHCINCXPQ-AZYRPFHASA-N 447.561 2.142 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCC(C)C)CC1 1769345001 ABBCTLFJKVHCAP-HSZRJFAPSA-N 439.564 2.465 30 10 IEEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(Oc4nccs4)cc3)C(=O)C2)C1 1855018806 GOWSXKNQWXFWKR-KRWDZBQOSA-N 425.514 2.208 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)C4CC=CC4)C(=O)O3)CC2)cc1 1855846982 BHYISHOHYHULTE-LJQANCHMSA-N 429.498 2.273 30 10 IEEE COc1ccccc1CC(=O)N1C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c2ccccc21 1857084480 JVFYSZVIDGCQQQ-OAHLLOKOSA-N 427.482 2.107 30 10 IEEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C[C@@H]2COc3ccccc3O2)C1=O 1863553900 RCMLXCWTKKIUJI-GOSISDBHSA-N 433.464 2.341 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(C)CC2)nn1C(C)(C)C 1869956464 LMSUZXAJCOSRBJ-UHFFFAOYSA-N 428.537 2.367 30 10 IEEE COc1ccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1 1874238067 PGWKSTPANGDSHH-FSJBWODESA-N 441.513 2.354 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc[nH]1 1874431382 QTGCEPNMKUZUBH-AUEPDCJTSA-N 425.518 2.472 30 10 IEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1O 1874434690 SBOWLHCFNNUFHY-WSDLNYQXSA-N 432.550 2.243 30 10 IEEE C#CCn1ncc(N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c(Br)c1=O 1948171319 KTZUFKXRZPYIKP-HNNXBMFYSA-N 431.290 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010396343 GLTBJTQIBFUKAR-CYBMUJFWSA-N 436.343 2.024 30 10 IEEE CC(C)(C#CC(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023918924 XZXFGIPFCTWBAL-HZPDHXFCSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060623817 QZEYFIUBVPDPBF-DZGCQCFKSA-N 432.330 2.408 30 10 IEEE Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 2116137719 BYOZTOFVRPUELX-LEWJYISDSA-N 436.365 2.174 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124538372 JCCFICGMJSROIM-KBMXLJTQSA-N 444.341 2.360 30 10 IEEE C=CCN(CC=C)C(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195285693 IUNTUYQCXOLZSZ-YVGXBJCXSA-N 436.530 2.094 30 10 IEEE Cc1nc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247907876 JTXNNHLSIKGGFM-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247925917 JRIREOPQDIRNSG-PMERELPUSA-N 442.343 2.342 30 10 IEEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248405082 RCFBRUJNMFEOON-LLVKDONJSA-N 425.266 2.303 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248446070 VLBKSAGLUBDWDL-UONOGXRCSA-N 437.371 2.362 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254802852 YLGZWHXAVDXUSM-NEPJUHHUSA-N 431.239 2.413 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C 2255831144 QRZOKOQGQYFERX-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE Cc1cnc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255863965 ZZNFHPNUKUGTMS-UHFFFAOYSA-N 431.342 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255937895 ADYZWUKMZYYDAZ-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267099517 LEUNTOZKVAFZTJ-IIAWOOMASA-N 446.357 2.227 30 10 IEEE Cn1cc(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120036 DVPJCYUXOQYNJB-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267184985 YVPFRURWAKUDMR-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267188956 TVGBTWYOFLLNDC-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267191532 DRVRUXCHGXIZLU-GOSISDBHSA-N 438.381 2.313 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267197415 KSONBRUFPUMFNT-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267265745 KBBKZHFMRHBVBY-JSGCOSHPSA-N 441.259 2.052 30 10 IEEE Cc1cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267603762 BKDAYDFPWLHLJB-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCCS(=O)(=O)C(F)F)sc2Cl)OC1(C)C 2281975390 MANBEVMSGNDPLM-UHFFFAOYSA-N 429.703 2.068 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCCC23OCCO3)OC1(C)C 2282504361 NRAJOELFQZTNPV-OAHLLOKOSA-N 443.396 2.152 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)nc(O)c2[C@@H]1C=Cc1ccccc1 2293273381 AQWSVHHQRRDSFH-SJORKVTESA-N 433.468 2.414 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1OC 2296125326 AYIGDRBDFIOULK-HXUWFJFHSA-N 425.485 2.472 30 10 IEEE COc1cccc(C=NNc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)c1 2328608047 XVWVKTRUTWNHCB-UHFFFAOYSA-N 432.484 2.245 30 10 IEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccnc2)o1 2330750167 ULZYEDPIYOFOOZ-UHFFFAOYSA-N 428.474 2.253 30 10 IEEE CN1CCC(C#N)(NS(=O)(=O)c2cc(Br)ccc2Br)CC1 40366749 HKJHULAAQDKCHH-UHFFFAOYSA-N 437.157 2.478 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1 102700916 VEDPXVPGSCTSMK-SADKCHQCSA-N 438.480 2.450 30 10 IEEE N#CCC(=O)Nc1ccccc1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 219624640 RJPOMICNHOEDLY-UHFFFAOYSA-N 435.396 2.462 30 10 IEEE Cn1cc(-c2noc(CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)c(C(F)(F)F)n1 426218866 VFOCESCNKLUVHA-CYBMUJFWSA-N 445.361 2.418 30 10 IEEE CCCc1c(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cnn1-c1cccc(C#N)c1 433531146 WFSWIQSCUPXPLF-LJQANCHMSA-N 435.406 2.161 30 10 IEEE COc1ccc(-n2cnnc2SCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461284390 WDJIKJQOSUXYKM-UHFFFAOYSA-N 432.469 2.459 30 10 IEEE N#CCCN(C(=O)CCC(=O)NCc1cnc(N2CCOCC2)c(F)c1)c1ccccc1 462571190 KWDNVDBPKLWFHH-UHFFFAOYSA-N 439.491 2.401 30 10 IEEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NCCOc1ccc(C#N)cc1 466104705 QLWSCJJYTAUFLC-INIZCTEOSA-N 435.484 2.342 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)CC1 473563472 USPPVHYKICXENP-LJQANCHMSA-N 437.887 2.165 30 10 IEEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ccn1 474202327 AFPXKEPDOWXCTF-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1Cc1ccccc1 525686719 MKSXXWZHGBKBKV-UHFFFAOYSA-N 447.560 2.134 30 10 IEEE CC(C)c1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 533343219 FNBOWRDZAFDBSV-HXUWFJFHSA-N 443.569 2.428 30 10 IEEE COc1cccc(-c2noc(SCC(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)c1 545490160 BJPDBZZHLIQYPG-UHFFFAOYSA-N 436.497 2.453 30 10 IEEE N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccc1OC(F)(F)F 549775496 DWCDYRHPQGKRHO-BLLLJJGKSA-N 441.406 2.079 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 553901973 OUDUAZHXAIBAEM-HNNXBMFYSA-N 426.267 2.248 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)OC)C1 555241104 YRVLKORIAWPXFZ-HNNXBMFYSA-N 432.550 2.204 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 557163150 DQKZPRCMQXEJHG-CZUORRHYSA-N 431.352 2.133 30 10 IEEE O=C1CN(C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)CCN1CC(F)(F)F 561353515 LGJBMTATZPSBNK-UHFFFAOYSA-N 439.291 2.272 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1C#N 562250541 PWIKFTSRQKPCCU-UHFFFAOYSA-N 425.464 2.172 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(CNS(C)(=O)=O)CC1 566590213 XNERVSNZOBFHKW-UHFFFAOYSA-N 444.605 2.183 30 10 IEEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCS(=O)(=O)c1ccccc1 569348066 DYHCMSGUYOCTAE-UHFFFAOYSA-N 427.526 2.133 30 10 IEEE C[C@H]1CN(Cc2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)C[C@H](C)O1 570490665 VABHFIPICMHGDN-IRXDYDNUSA-N 442.541 2.084 30 10 IEEE COc1cc(/C=C/C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc(OC)c1OC 585227268 WXQUZMFVDVNMAZ-SNAWJCMRSA-N 437.500 2.420 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 609431296 NFPPHBTUNWYJBF-UHFFFAOYSA-N 442.560 2.129 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1F 731321511 HOADBFUWAGRKML-JYRVWZFOSA-N 429.473 2.221 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 734293188 OCAADIKYGBYRCK-UHFFFAOYSA-N 428.466 2.496 30 10 IEEE N#C[C@@H]1C(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)=CC(=O)n2c1nc1ccccc12 744423649 KWHCFFQZULEQOG-RTBURBONSA-N 433.512 2.327 30 10 IEEE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)OCC#Cc1ccccc1Cl 746983402 GSMMIAPYMVCBAN-UHFFFAOYSA-N 435.885 2.375 30 10 IEEE C#CCN(CC#C)C(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 752151783 JTUJKEWZVUPAND-UHFFFAOYSA-N 427.438 2.113 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(F)cccc2F)c1=O 758050139 NXZYFYNNPUTLMO-UHFFFAOYSA-N 436.439 2.216 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 758152104 QNYRMNICKAQKQD-OALUTQOASA-N 432.569 2.369 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccnn2)C1=O 766418521 GWVDFTGDPGTMSI-KRWDZBQOSA-N 446.964 2.330 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 778114877 WSIMENICLNMPEW-UHFFFAOYSA-N 442.541 2.157 30 10 IEEE CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780206637 SFMGRFKZTSFYEW-LJQANCHMSA-N 449.385 2.251 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCCOc1cc(F)cc(Br)c1 782275389 HJYJXMTXFMUTLV-WUKNDPDISA-N 427.226 2.427 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 788820153 PPIIAZGWSYHNNH-UHFFFAOYSA-N 444.482 2.322 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCc2nc(O)c3c(C)c(C)sc3n2)n1 790105280 WECMWSQEGCUYSO-UHFFFAOYSA-N 427.530 2.451 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@@]2(C)CCC(=O)NC2)cc1 798780065 LSUBPXMKMURPHK-QHCPKHFHSA-N 438.484 2.372 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 802557662 CVAHMIXWUXOONY-QFIPXVFZSA-N 426.521 2.243 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 808236467 FEGYOEDECDPWOV-ICSGCJEQSA-N 427.505 2.270 30 10 IEEE C#C[C@@H](NC(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1)[C@H]1CCCO1 812902982 NQUOCHKPOOWHED-NTFDOXNWSA-N 434.581 2.330 30 10 IEEE COC(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 916723337 YNLAKWZMLOFHOF-YUCJCZDXSA-N 436.534 2.306 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc1O 1084245728 ZHXFVPGPHFWXFP-ZDUSSCGKSA-N 441.517 2.122 30 10 IEEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1133300416 ADJQUAIYMNMFDC-AWEZNQCLSA-N 426.477 2.025 30 10 IEEE CCCn1c(=NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n(CC)c2ccccc21 1138225572 HZGLCLFDIGHFLJ-UHFFFAOYSA-N 439.541 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1142086092 QVLBAMZWFWLNDA-IBGZPJMESA-N 441.532 2.018 30 10 IEEE C#CC[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1197701346 GSFQETCVURAKLF-SFHVURJKSA-N 432.590 2.211 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1F 1251891931 DTIATUYNOAKZNU-SJORKVTESA-N 442.413 2.455 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 1253866622 CHDVBJTWXJXDOM-RUZDIDTESA-N 433.556 2.463 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)[C@H]1c1ccnn1C 1265417815 FILOHVWUUDTBLH-YADHBBJMSA-N 446.467 2.406 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286391028 BIKDKMUBTSHOIB-SFHVURJKSA-N 430.578 2.001 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1286400542 HVUMIZOZDOJMOO-DEOSSOPVSA-N 436.512 2.097 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1286447844 NTKXHBRTMPZZMD-IBGZPJMESA-N 444.580 2.308 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)CC 1286459008 GVVOZAYNDLBRCR-UHFFFAOYSA-N 441.557 2.322 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@H](OCC)C(C)C)CC1 1286479584 MXQJCTOQTBIKPB-IBGZPJMESA-N 442.564 2.212 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CC 1286522811 RNETYMFDRLJNKA-NHCUHLMSSA-N 430.578 2.391 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CC1 1286527636 GBLOSAJJMPJIHK-SONOPUAISA-N 431.587 2.173 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(CC)CCS(C)(=O)=O 1286567741 WGHGBGGFYIBTEJ-ICSRJNTNSA-N 433.578 2.116 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](COC)OC)CC1 1286660461 MCSPIPDTXOFKPS-QGZVFWFLSA-N 438.532 2.256 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1286679986 AAUOJQGDEKDQJN-UHFFFAOYSA-N 433.578 2.462 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286681587 YOWUWGGTNUBMER-AWEZNQCLSA-N 430.475 2.277 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1286701030 UPRLSISEOGGMEI-OALUTQOASA-N 447.609 2.271 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1286746020 MWTADMJSOAMDLT-LBEKAKSKSA-N 448.614 2.284 30 10 IEEE C=CCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286778240 WLPMOYISDLVHDJ-NRFANRHFSA-N 438.594 2.442 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1297555565 AVHIXTLDSISPGB-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Br)cc1 1298542227 UCQGXMBNEZJMRE-SJORKVTESA-N 446.276 2.053 30 10 IEEE COC(=O)N1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1299425336 ASLZRVJMTQMAIA-OAQYLSRUSA-N 427.484 2.184 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1300305267 TWHNUFVSBRDQLO-INIZCTEOSA-N 447.543 2.179 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCN(CC)CC1 1300314704 ICKXXQPSMSYVOT-NHCUHLMSSA-N 448.619 2.248 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300381517 GQFBFQIFPIOFRQ-UHFFFAOYSA-N 427.940 2.303 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1300409080 PDBSWBMPAAAAQD-FGZHOGPDSA-N 444.624 2.164 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2N(C)CCCC2(C)C)n1 1300681658 XOOVCXGZDBFZJG-FQEVSTJZSA-N 427.597 2.444 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCSC2(C)C)CC1 1300682726 PVCTXGBGRWEWIC-KRWDZBQOSA-N 432.638 2.483 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(C)C)CC1 1300882134 FAUOLIUABDUYKE-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1301127809 URKPVTWDQNGWJM-UHFFFAOYSA-N 435.532 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2F)C1 1301537429 AMQXHILZAHQGHK-DOTOQJQBSA-N 437.541 2.051 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1301712605 FWGAZXOMZNONCI-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE COCCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302130575 KRGKCBLOIWWKNM-NRFANRHFSA-N 434.500 2.066 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1302647844 IDPIQECUVFHRMO-UHFFFAOYSA-N 445.479 2.419 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1O 1302841212 DPWUQHCTWUPNLT-QWZAPTKDSA-N 445.589 2.483 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccsc4C#N)C3)[C@@H]2C1 1302897724 KUWULHVBXKYRLK-YUELXQCFSA-N 432.502 2.274 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc2c1NC(=O)CO2 1302904451 INNPWIQSKVUFRO-OAHLLOKOSA-N 442.497 2.109 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)c2ccccc2)C1 1302977987 FJODFUNHXQAENE-FQEVSTJZSA-N 426.477 2.256 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)C(F)(F)F 1303404998 GVPSTSILYXVOKY-AWEZNQCLSA-N 427.475 2.181 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C#N)o1 1306246171 SAAGAHFESKGLND-SFHVURJKSA-N 436.472 2.190 30 10 IEEE N#Cc1cccc([C@@H]2CN(S(=O)(=O)c3cnn4cc(Br)cnc34)CCO2)c1 1309367794 AOZAIAWJNLAUKB-HNNXBMFYSA-N 448.302 2.126 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1 1312735660 BAPVGLZLUJBHLA-UHFFFAOYSA-N 431.496 2.375 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1315067065 JDPRJFYTHAEIPQ-SFHVURJKSA-N 446.577 2.150 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccn(C3CCOCC3)n2)cc1 1350774777 UQTIEMGEUYPMAZ-FCDQGJHFSA-N 431.518 2.300 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358906474 ITPATXFJZSBAIW-LJQANCHMSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1358970135 GOEBUGVJQWIVOJ-QGZVFWFLSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358998612 LIAPWXQPNLGKDR-HXUWFJFHSA-N 442.541 2.075 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1359036054 LQVHDWPXLJAGQM-FQEVSTJZSA-N 439.560 2.383 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC(C)C)CC1 1359100309 ZTTSXHVAPLXMPV-ACRUOGEOSA-N 433.597 2.310 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1359113385 HKBVXXKJXMGUFS-SFHVURJKSA-N 435.550 2.132 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359129175 UDQDWCSOVHPTDP-LJQANCHMSA-N 438.536 2.375 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC(C)C)CC1 1359158044 CQVCYVLWDHVSSN-ROUUACIJSA-N 427.977 2.302 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)c2ccccc2)CC1 1359173877 QPXMOYBORUISFC-KRWDZBQOSA-N 432.594 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1359299313 BNPAZQLDSWSZNB-LPHOPBHVSA-N 427.505 2.098 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359340185 DXOGTRFHUFNDTB-QGZVFWFLSA-N 441.561 2.026 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc21 1443893700 JXBLLJSKTWOFPK-FQEVSTJZSA-N 432.528 2.154 30 10 IEEE C#CCN1CCCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 1444360553 SYAUVUVIYDYYMB-UHFFFAOYSA-N 432.362 2.469 30 10 IEEE COc1ccc(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)nc1 1452838105 XPMQMLVEJHHHHJ-UHFFFAOYSA-N 428.514 2.302 30 10 IEEE C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1460722786 KPBJYOGXHFSLPH-LYHRCORUSA-N 431.533 2.398 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)c1OC 1464948336 YPZBTCQZIDYKKM-QGZVFWFLSA-N 432.521 2.374 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1467273556 GHQXPXCFFRSMIZ-ACBHZAAOSA-N 443.548 2.311 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1468183958 REJSMXBOUZBHIV-UONOGXRCSA-N 435.949 2.366 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 1469535989 VXRASMKAVQZKCB-FQEVSTJZSA-N 426.542 2.088 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC([C@H]3COC(=O)N3)CC2)C1 1472173719 POCRVPIYDNDEDA-MRXNPFEDSA-N 433.306 2.104 30 10 IEEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1492967620 NBHWEXGTCZESLX-BHIFYINESA-N 435.576 2.273 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1504882955 BNTRLWSATQRQLK-UHFFFAOYSA-N 425.562 2.232 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507631505 QDYYMLYVKUMHBD-FQEVSTJZSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCCN1CCN(c2ccncc2)CC1 1507650486 LXQMPUUQRYXEQH-HSZRJFAPSA-N 447.587 2.200 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCO2 1507666967 IOIDOVKNGUTJSZ-SFHVURJKSA-N 433.512 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1507676813 PXOKPENJDBQSOB-VWLOTQADSA-N 447.539 2.340 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1507700348 QUSKPMYZWZMBFZ-KZNAEPCWSA-N 437.610 2.080 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1C 1507702319 IWRKWHPAJJCRNH-INIZCTEOSA-N 445.545 2.077 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCCCC2)C1 1508073031 GRDWIARWFJDGMJ-KRWDZBQOSA-N 429.956 2.360 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(CO)c2)CCOC1 1509807267 QKSJSXRHYHDSAI-FCHUYYIVSA-N 429.496 2.301 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1511972912 AHJXQHGWNMGKLP-QFBILLFUSA-N 438.532 2.211 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)C2=O)cc1 1519457772 NJVWQZHTGKDFBQ-APWZRJJASA-N 431.452 2.005 30 10 IEEE C=CCn1cc(C(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)nn1 1531483682 WGHKSLXSPLPBNQ-UHFFFAOYSA-N 427.486 2.204 30 10 IEEE COC(=O)c1cccc2c1CCN2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536348273 FSEONRDVFASTHK-SFHVURJKSA-N 432.436 2.139 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539212135 SDSOVSXZADEPFT-IAGOWNOFSA-N 445.614 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539336984 IISXGMNQJKCTJG-FQEVSTJZSA-N 425.533 2.252 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC(=O)N1 1539392080 LKVBTCNXYRNTEI-DSKINZAPSA-N 441.507 2.060 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1539542417 YUBZKZVYZQNJNV-DHIUTWEWSA-N 431.581 2.033 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 1539642342 QAHFHUVABAIPPY-IIBYNOLFSA-N 429.496 2.304 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)n[nH]2)c1C 1540595971 UGYPJSNYKRKVFC-UHFFFAOYSA-N 434.566 2.058 30 10 IEEE C[C@H]1Cn2nc(C(=O)NCCNc3ncccc3C#N)cc2CN1C(=O)OC(C)(C)C 1542361959 FQVRYTFAIUFXEC-AWEZNQCLSA-N 425.493 2.131 30 10 IEEE CCOCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCC1 1548233857 ZBTZDKGWTSBGGZ-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1554205707 HHWVHKVUBBTILK-UHFFFAOYSA-N 447.455 2.376 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1555687818 OMWASVLNEXEOHP-GCJKJVERSA-N 426.521 2.381 30 10 IEEE COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556581784 XWJGKVDSPSGMBS-RHSMWYFYSA-N 432.473 2.273 30 10 IEEE C=CCOc1c(Br)cc(CN[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1OCC 1560527895 AOKSUMFWAWFCRY-HOCLYGCPSA-N 434.352 2.314 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C 1566409949 PODCFTWKIPJACZ-YLJYHZDGSA-N 448.527 2.433 30 10 IEEE C[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(I)cc1 1585296943 NXWZBEBFUKDJAI-NRYCMEERSA-N 439.253 2.037 30 10 IEEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)NCC1CCN(CC#N)CC1 1586041134 WXUCQMAWVLUEHQ-UHFFFAOYSA-N 440.548 2.413 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1587530500 JUDFYUFHOKJDCS-INIZCTEOSA-N 449.573 2.364 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1587569044 UZCYTVPLFRVTME-MZNJEOGPSA-N 437.544 2.111 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1587989679 MOCZYCPWVOAOIJ-HNNXBMFYSA-N 442.463 2.239 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588064805 PIHLFKXPTZEASZ-RTWAWAEBSA-N 441.601 2.160 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1588459189 NTXUYIGRUNBOJJ-AOMKIAJQSA-N 430.553 2.288 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)Cc2ccccc2)CC1 1588806572 VOQGXLNFNAJGRG-UHFFFAOYSA-N 443.555 2.062 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCCC2)CC1 1588947516 QQFWQKYTXKSQHF-UHFFFAOYSA-N 434.588 2.239 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@@H](C)C1 1589495539 RXYZRJKFLXLPMK-ILOCAZANSA-N 425.599 2.352 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594824177 BBCUVRRFCLPYHZ-UHFFFAOYSA-N 430.553 2.124 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC=C(C(F)(F)F)CC1 1595467417 TXLAXQUHDNGMMA-UHFFFAOYSA-N 428.459 2.198 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1595490323 PTYTZENYFUWXNC-INIZCTEOSA-N 443.895 2.170 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](COC)C1 1595577302 OOJAFBUPFDTZKC-IBGZPJMESA-N 438.532 2.284 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)CC(F)(F)F)C1 1595745824 WZGFECPEOWRKSJ-QGZVFWFLSA-N 441.502 2.415 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)OCC 1596777508 DAOOMGWQDFIFHC-ZDUSSCGKSA-N 425.825 2.473 30 10 IEEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1597759898 DIQHOENFCQVIBG-HNNXBMFYSA-N 435.914 2.215 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 1598245197 MTWFAQHQVVQPKA-HUUCEWRRSA-N 437.493 2.323 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)N(C)[C@H]1C 1614400944 JDAYEHRXAGSBCP-UTWKKMKISA-N 441.575 2.211 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccc(C)n1 1620020463 YMMKSDAZBHVGKB-GHTZIAJQSA-N 439.564 2.125 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)cnc1Br 1625977360 UYUBPTOFENDWKB-UHFFFAOYSA-N 446.143 2.295 30 10 IEEE C#CCN(C(=O)CNC(=O)c1ncccc1O)[C@H]1CCOc2ccc(Br)cc21 1629238033 CHWRMNMNMUWXAN-HNNXBMFYSA-N 444.285 2.265 30 10 IEEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c(C#N)n1 1642036380 BROHTMDUDSWOTH-UHFFFAOYSA-N 442.541 2.484 30 10 IEEE C#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1643532259 ISZXVHRMVPNPBM-AWEZNQCLSA-N 443.363 2.249 30 10 IEEE O=C(CCCn1c(O)nnc1O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645939057 ZGMGIJZWMKCESK-BQBZGAKWSA-N 438.275 2.099 30 10 IEEE CN(C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@@H]1C#N 1648668187 ALRSYYHCOWKDES-SJLPKXTDSA-N 435.546 2.447 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C(=O)OCC 1663905127 JMNAYGGQLXNJGV-MRXNPFEDSA-N 436.527 2.152 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)cc1 1665968586 DAFFASHFHTVMFJ-FOIQADDNSA-N 431.514 2.357 30 10 IEEE Cc1c(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cccc1S(=O)(=O)N(C)C 1672753808 DVZZYKKLRWBMDN-UHFFFAOYSA-N 441.557 2.467 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 1678356288 QHRMYUMITXAVPC-INIZCTEOSA-N 433.324 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1682987513 HYBHNCDQPPQSSY-IBGZPJMESA-N 443.548 2.416 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 1687444848 GSTKFHOBPHABBM-UHFFFAOYSA-N 429.561 2.390 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1689827508 GIPXKNUXCGIOIB-HDMKZQKVSA-N 433.603 2.377 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1690098704 RUKHTSQMNBZXGD-UHFFFAOYSA-N 429.484 2.304 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CC 1690196789 YERZCPDLVBDXKL-FGZHOGPDSA-N 445.589 2.349 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1690244095 SWWWGMKCXTUBMT-GGPKGHCWSA-N 428.537 2.347 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1Cc1ccc(C#N)o1 1692771954 AFGXDWXVMPESSR-USJZOSNVSA-N 432.550 2.416 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1692854562 RUYSQEDQNZVGMT-HNAYVOBHSA-N 434.953 2.407 30 10 IEEE CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C)n2Cc2ccc(C#N)o2)CC1 1694609193 RXPXZACRGQOGGU-UHFFFAOYSA-N 428.928 2.371 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC[C@H]2CCCO2)cc1 1698487569 RCDCXTCVYLAXEZ-WOJBJXKFSA-N 438.532 2.104 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1705550968 CQRQHIUJQOMILG-KRWDZBQOSA-N 432.546 2.095 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705688961 BCDWWXZRPFCNMZ-KGLIPLIRSA-N 442.383 2.430 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1705715983 VULSZJXTYSISDI-WMZOPIPTSA-N 428.512 2.115 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1705732479 AGYVSBQGDMIVSS-UHFFFAOYSA-N 449.577 2.018 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)CC1 1705769434 SDJISJZXVVSJBV-OAHLLOKOSA-N 437.953 2.464 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705883705 RRDLXIXDQNFGNQ-UHFFFAOYSA-N 433.520 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1705932293 ASJGQPLOHDLXAH-UHFFFAOYSA-N 437.541 2.036 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705946062 YATGSGBPYXMZSK-NVXWUHKLSA-N 433.582 2.276 30 10 IEEE CC(C)=CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706207522 HLZKTQQEMXTSFS-KRWDZBQOSA-N 432.536 2.412 30 10 IEEE CC1(C)COCCN1CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1706957063 FEBQYNNLXKJEGM-MRXNPFEDSA-N 430.940 2.438 30 10 IEEE CCCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1709609964 ONQJANIHXNANON-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE CCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1709685820 MHQFANOMEBSEPK-XUTLUUPISA-N 438.488 2.089 30 10 IEEE CCN(C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1709976540 LEIUYARBOPDRNS-UHFFFAOYSA-N 434.566 2.240 30 10 IEEE CCOCc1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1Cc1ccc(C#N)o1 1710739811 COTNKHFOLRLUSH-UHFFFAOYSA-N 438.463 2.315 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1712275477 OPPMPIXLBWBNBI-PKOBYXMFSA-N 438.532 2.116 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCCOC1 1712442955 OHIXJKONULJLRT-HXUWFJFHSA-N 436.516 2.101 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364814 JIZHGCDTHBQFTC-QWFCFKBJSA-N 427.574 2.327 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1722442069 XMAABHHSAHWNTM-RBUKOAKNSA-N 444.580 2.284 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722462036 HYAWBAOOUIHOIS-MGPUTAFESA-N 433.603 2.384 30 10 IEEE C=C(C)COCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1722536463 OFHOTONKPAKCQM-SFHVURJKSA-N 448.486 2.417 30 10 IEEE C=CCCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1722609878 HTWUCMNJZDTGFA-NHCUHLMSSA-N 438.594 2.302 30 10 IEEE C=CCNC(=O)Cn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1C(C)(C)C 1722703732 FZPJXTHSCMYALF-UHFFFAOYSA-N 439.608 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722726292 BHOJHYACFQVTJJ-HNNXBMFYSA-N 439.582 2.202 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1726516401 CPBGQOMZZFECSV-GDBMZVCRSA-N 428.562 2.385 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1740558829 VNUGPRUUUPMJAS-IRLDBZIGSA-N 434.588 2.423 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740566530 VRZXDMYQVDGYAD-KRWDZBQOSA-N 443.573 2.244 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCn1cccn1 1740582190 AEPNLXUUSDXSSS-UHFFFAOYSA-N 440.577 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCOC[C@@H]1OC 1740636857 GIRBMJXPQXJWNV-UGKGYDQZSA-N 430.512 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1740659577 WTYCSZSPGAQWRU-JOCHJYFZSA-N 444.539 2.450 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)CN(C)C)CC1 1740697376 BVEIXBGYGCHMQR-UHFFFAOYSA-N 440.592 2.305 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740720230 SPVLYCBRXOEQIO-HXUWFJFHSA-N 436.585 2.443 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCCCC2)CC1 1740720463 ZIQYWCOQMLENER-UHFFFAOYSA-N 444.649 2.469 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CC)C1 1740884771 MIFKKVZLKPBPAQ-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1740905345 SSAOGOARMMHXIW-UHFFFAOYSA-N 427.534 2.412 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)n[nH]1 1742599586 XSNMSCIQHPJTKX-IBGZPJMESA-N 447.547 2.227 30 10 IEEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1744924246 HKKWHKULXGOJAY-LJQANCHMSA-N 436.520 2.282 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1747869187 FFWQHTUUQJXFBN-AZUAARDMSA-N 427.505 2.007 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2)CC1 1748731739 KLXLQCIBIAGRIV-GOSISDBHSA-N 430.578 2.018 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1748971662 YKSHQDKKIIKBJF-RTBURBONSA-N 430.597 2.157 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1749677010 KSRFEPCTXNDSLA-IBGZPJMESA-N 435.532 2.441 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)cc(OC)c2)C1 1749713567 UZRISXBSALSUJY-OALUTQOASA-N 446.573 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(F)cn2)CC1 1749721604 OQPVXKKZJIVHAI-INIZCTEOSA-N 436.557 2.253 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1750076914 RREHCDQFWMBVHL-STZQEDGTSA-N 438.576 2.383 30 10 IEEE CC(C)SCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1751063721 UFCFGCZBKBLWOF-UHFFFAOYSA-N 441.561 2.077 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1760354067 NMQYCVUBFPJPDU-INIZCTEOSA-N 446.939 2.414 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760357112 DYKJATFYOYDZTB-VQTJNVASSA-N 430.553 2.093 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(OC)CCOC1 1760505522 WMSOZPFHLPMPHB-DENIHFKCSA-N 430.505 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C1CCC2(CC1)OCCO2 1760552178 FKDDQOGGVFOXLD-UHFFFAOYSA-N 447.561 2.063 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1764539485 HMJUJECXIRMBRY-UHFFFAOYSA-N 447.547 2.241 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CCS(=O)(=O)C1 1764909902 GILWIBIIIUYBTQ-MRXNPFEDSA-N 448.980 2.127 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1764917303 CVEIYADDSMHAAS-PKOBYXMFSA-N 440.548 2.458 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1765476645 DMIIJUOGRAROIK-SZNDQCEHSA-N 445.499 2.000 30 10 IEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CCOC1 1768213015 HHTWUSLXTDNIDX-HSZRJFAPSA-N 438.532 2.104 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1771039893 MBEOZVBDQIASEQ-NRFANRHFSA-N 449.563 2.218 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCCOC(F)(F)F)c1 1771530161 CEHLOWWQMKNKGC-HZPDHXFCSA-N 434.422 2.458 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC1 1771539195 PUYYAUSZXHABTP-HNNXBMFYSA-N 431.447 2.480 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1772523199 ZVRKUEGDNBLHMA-MHECFPHRSA-N 437.544 2.441 30 10 IEEE COCCn1c(C(=O)N2CCCc3nc(C#N)ccc32)cc2c(=O)n3ccccc3nc21 1848594302 ZNGBKDYAXQVYEP-UHFFFAOYSA-N 428.452 2.155 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)CC2)c1 1848905216 LQVGWPXUIJKCJN-UHFFFAOYSA-N 448.479 2.072 30 10 IEEE N#Cc1ccsc1NC(=O)CN1CCN(Cc2cnnn2-c2ccccc2F)CC1 1850869267 XBMACWOLBYMSBV-UHFFFAOYSA-N 425.493 2.096 30 10 IEEE Cc1ccccc1N1C[C@H](C(=O)N(C)c2snc(N3CCOCC3)c2C#N)CC1=O 1852373460 JJNXZSXBAWAOQC-OAHLLOKOSA-N 425.514 2.176 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)CCC(=O)Nc3ccc(F)cc3F)CC2)nc1 1852430065 FOJGOMXZJHTZFU-UHFFFAOYSA-N 443.454 2.316 30 10 IEEE Cn1nc(-c2ccncc2)cc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852765817 NKMQNQQATAWHRA-OAQYLSRUSA-N 447.495 2.290 30 10 IEEE C=CCOc1cc(OCC=C)cc(C(=O)N2CCC(n3ccc(=O)n(C)c3=O)CC2)c1 1852799159 XFZGXVKFMLVZKS-UHFFFAOYSA-N 425.485 2.154 30 10 IEEE CC(C)S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1855889936 CDZUNEPBNFWJMM-FQEVSTJZSA-N 431.558 2.316 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](CN3CCC(CC#N)CC3)CC2=O)cc1 1857206177 ZUJAIQQEDHFOGZ-IBGZPJMESA-N 431.558 2.023 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 1869929934 PJPAPKGTZFBZOD-IBGZPJMESA-N 426.542 2.243 30 10 IEEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870442180 PHQNJNVBRNOVLE-UHFFFAOYSA-N 449.555 2.457 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871641727 ICERGAOZPBYONO-MRXNPFEDSA-N 425.493 2.445 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)C1 1892051215 KYRJZUBNLKCDQP-PZJWPPBQSA-N 446.956 2.480 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 1993278174 PQNBNRSRGLVSED-HOTGVXAUSA-N 427.542 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 2010516298 JPSOOAUYHFCJLV-UXHICEINSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)[C@H]21 2068906986 FFFUXBSSURJWDB-BRWVUGGUSA-N 434.342 2.411 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629165 RRDKFBFYGXMJLA-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255630462 KTSOIAREXCEUNT-ZDUSSCGKSA-N 434.346 2.227 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCCNC(=O)OC(C)(C)C)n1 2255655465 MUHLYHNNQMRIKV-UHFFFAOYSA-N 436.362 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255692286 ARXVEXHIYFIUQZ-UHFFFAOYSA-N 433.314 2.005 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828057 PEVOSCPKUAMPKM-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255830175 BFTIXWWGNWDOPY-AWEZNQCLSA-N 436.362 2.047 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255861381 BKLPCCCICJJGMZ-OAHLLOKOSA-N 437.321 2.249 30 10 IEEE CC(C)(C)OC(=O)NCC12COC(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)(C1)C2 2258961433 SSMFUIIPUJHXMS-UHFFFAOYSA-N 434.342 2.201 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267499040 YKZCWRDGMPNDKK-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268676025 FZHWZBRIQPBASG-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268698971 DAWXOUGBCYSOGV-HNNXBMFYSA-N 448.373 2.164 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1cccs1 2297741874 WFIMTYYKNZWBCM-GOSISDBHSA-N 443.481 2.410 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2312861036 NUUDTMKZZYXFGF-LXZKKBNFSA-N 431.342 2.299 30 10 IEEE COc1[nH]c(=NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501316 GWHQXWXDZVWAPO-HUUCEWRRSA-N 433.358 2.384 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(O)c1 2330721951 ZKCMHASLYDSWCZ-UHFFFAOYSA-N 442.476 2.372 30 10 IEEE CCCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)cc(OC)c1O 2331644915 YGEXTUVUFQPSDC-UHFFFAOYSA-N 428.312 2.167 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N=c1ccc2ncc(Br)n2[nH]1 2379812135 PLNYZMFTWQPJKU-LLVKDONJSA-N 437.298 2.439 30 10 IEEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 20527671 HOPOWDXPLVERBG-YDZHTSKRSA-N 439.549 2.410 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)NCc1ccccc1 58997298 YOKRKTWLYAVNET-KEBDBYFISA-N 427.446 2.273 30 10 IEEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CN2CCN(c3ccccc3F)C2=O)CC1 238881073 PGODCGCBMRLFMK-WKILWMFISA-N 438.463 2.236 30 10 IEEE N#Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 302718098 KCQJYDIOVKXLFV-UHFFFAOYSA-N 425.829 2.165 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 427997877 SYAYWJLOEVMDJT-GGTVJXIESA-N 426.538 2.003 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC2)cc1 435829547 WHLIEGOGPKUPFV-UHFFFAOYSA-N 431.464 2.401 30 10 IEEE COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc(S(C)(=O)=O)c1 467925468 AYNAVNMCMWHDRC-UHFFFAOYSA-N 428.875 2.203 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4c(C#N)cnc5ccccc45)CC3)C2=O)n(C)n1 472487290 MSTYOZQORREURC-NRFANRHFSA-N 429.528 2.466 30 10 IEEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 476560361 GXGCNBRYNUSIAJ-XMMPIXPASA-N 446.507 2.457 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 486202162 ZGEXJACKVDSVSY-UHFFFAOYSA-N 429.498 2.382 30 10 IEEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1scnc1C 489416463 TWLRGMRKPPIOKK-FQEVSTJZSA-N 445.564 2.448 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@H](Cc3cccnc3)NC(=O)c3ccccc3)CC2)c1 499273877 MMAXODKCPQJYIN-QFIPXVFZSA-N 440.507 2.038 30 10 IEEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 508745154 FLSXKGJQQAMUDP-UHFFFAOYSA-N 433.578 2.422 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCCO1 533885285 UJSQROOSXIBITC-HNNXBMFYSA-N 439.562 2.284 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 537171204 UBKWMGSSRLVOBH-IAGOWNOFSA-N 444.532 2.270 30 10 IEEE Cc1csc([C@H](C)NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 553071459 OLVLTWLRADDXNH-ZDUSSCGKSA-N 440.485 2.097 30 10 IEEE N#CCN1CCC(NC(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 588123718 HHSCAIFLNURQIM-UHFFFAOYSA-N 433.350 2.292 30 10 IEEE N#CC(C(=O)Nc1ccc(F)cc1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 603797246 CEPGGOIOQXYLTD-LJQANCHMSA-N 449.507 2.370 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c(F)c1 609944206 KFBXRRWKFJSILO-UHFFFAOYSA-N 444.488 2.127 30 10 IEEE CN(C)CCn1cc(NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cn1 610870237 HVIFXDKDHQETKD-UHFFFAOYSA-N 432.484 2.473 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 679754934 GMKJEKRKTVLVQD-INIZCTEOSA-N 439.562 2.284 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725767844 GHAUMHRAFXVUHZ-RUZDIDTESA-N 445.523 2.486 30 10 IEEE COC[C@H](C)n1c(SCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)nnc1-c1ccccc1 732650914 MAOAVLNDMKGJRA-QFBILLFUSA-N 440.573 2.443 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(C(N)=O)cc1 733200346 DBKHFXVMGPGADP-IBGZPJMESA-N 434.521 2.447 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)CC(=O)N2C)cc1 734925177 YCZGNNOOXDJYAI-OXQOHEQNSA-N 425.441 2.478 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nc([C@H](C)OC)no1 747933653 ROMXPBBVGVXBGW-ZFWWWQNUSA-N 449.533 2.033 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)ccc1F 749877836 BGHNSBGIHIZELJ-ZDUSSCGKSA-N 429.514 2.323 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 757989239 ZRMYOADOPMBVKA-LJQANCHMSA-N 435.509 2.361 30 10 IEEE CC(C)[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1nnc2ccccn12 758448156 GGUMKXVXYQUJIN-VYDXJSESSA-N 427.509 2.485 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CCCCC1 760403034 ZTEDDOQIYDMYGS-IBGZPJMESA-N 431.558 2.388 30 10 IEEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765145913 UJCPUQJCGCGDAH-UHFFFAOYSA-N 447.520 2.102 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 771492382 LRLOGIUOACNVHA-MRXNPFEDSA-N 444.447 2.388 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 777761909 QZTFJHCOTSWPJG-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE Cc1cc(C)cc(-n2ncc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)c1 781434274 GSZKXAKDBUUVBC-UHFFFAOYSA-N 436.541 2.262 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2c(cc1Br)NC(=O)CO2 782403004 TXXYHXAYANVWLO-MGNBDDOMSA-N 438.278 2.380 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 787067823 ZEOSZHLCDVOPRA-BBRMVZONSA-N 442.378 2.251 30 10 IEEE COc1ccc(N2CCN(CCCNS(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc1 790824419 PNXLNYSJXWZSEK-UHFFFAOYSA-N 446.548 2.338 30 10 IEEE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(C#N)c(F)c1 791240222 XBACMKGHGWANNS-PIGZYNQJSA-N 426.853 2.122 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2ncccn2)CC1 800784525 MIZXJDOSSAVUJC-UHFFFAOYSA-N 434.504 2.007 30 10 IEEE C=C(C)Cn1c(SCC(=O)OC[C@@H]2CCN(S(C)(=O)=O)C2)nnc1-c1ccco1 801287553 CDARQOKKECSECY-CQSZACIVSA-N 440.547 2.031 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)c2)s1 807245451 HLYRVRJUYZZKDU-VGSWGCGISA-N 425.510 2.357 30 10 IEEE CCOc1ccc(C=NOCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC 849777606 SQABDDLSPAZRIG-QGZVFWFLSA-N 426.535 2.116 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 858070203 UKNZIESZSUATAY-KRWDZBQOSA-N 440.525 2.068 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2cccnc2N(C)C)c1 916695297 ZRJYEPPHLRGCFM-HKOYGPOVSA-N 430.534 2.282 30 10 IEEE COCCOc1cc2c(cc1C=NNC(=S)NCc1ccc3c(c1)OCO3)OCO2 920751062 BFNKGEMFLQTKSB-UHFFFAOYSA-N 431.470 2.167 30 10 IEEE Cc1cc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)no1 1084075999 GVOOQOSDQPBFQO-UHFFFAOYSA-N 447.393 2.094 30 10 IEEE C#CCN(CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N)C(C)C 1176372725 JDSDJSYSKALGPK-UHFFFAOYSA-N 425.533 2.208 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)C1 1177759468 QEERPPKLLKQQJM-QUCCMNQESA-N 440.544 2.292 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OCC 1194187858 YKJZZQHFQJNTDV-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1264610302 AQULRTFEGKCCGT-SFHVURJKSA-N 445.445 2.217 30 10 IEEE COC(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1276538303 HGOUBFNRHKYIBX-UHFFFAOYSA-N 447.538 2.123 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286357734 NQERTXJPKDGPBC-HXUWFJFHSA-N 440.569 2.460 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1286387752 HVXXZPHGINGZJH-IBGZPJMESA-N 427.574 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1286414670 AAHUKSUDORSHQJ-NRFANRHFSA-N 430.512 2.060 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1286445651 ADEWEONAIYPGMU-LJQANCHMSA-N 446.573 2.022 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ncn(C)n1 1286457375 NAHCPVKJWIXDDP-OAHLLOKOSA-N 429.912 2.334 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCn1cc(C)cn1 1286459950 XDUIDISTZSAQGI-UHFFFAOYSA-N 430.516 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2CCC(OC)CC2)CC1 1286494507 MVWHBSDSVPBMFF-LYBXBRPPSA-N 429.565 2.301 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286628694 FFCOWPNDTZKUEJ-ZIAGYGMSSA-N 426.930 2.008 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286639112 XUYZYLCHEKKILP-REWPJTCUSA-N 432.613 2.113 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286691072 ZWOIMUQIALAHRK-UHFFFAOYSA-N 429.569 2.208 30 10 IEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1286710152 OCHHUBZTLRKFSY-INIZCTEOSA-N 440.504 2.038 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)C1 1286810621 UBFSBSLBIJFDDF-HOTGVXAUSA-N 426.608 2.247 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286823572 OLZNXDMSJNBRLS-UHFFFAOYSA-N 448.618 2.359 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@](C)(O)c1ccccc1 1290864956 FPHZPDZCYPYUIR-UZUQRXQVSA-N 432.532 2.261 30 10 IEEE CCCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1294308570 RXHNQKNEZZXZPK-IHPCNDPISA-N 443.552 2.084 30 10 IEEE CN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298356627 BGCRHEWCDOWMGH-XOMICKMZSA-N 440.479 2.084 30 10 IEEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)c1ccccc1 1299870067 WHTFFMCYYZMBCO-OALUTQOASA-N 432.929 2.364 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)C1 1300020393 GZVBTZDIEONXKM-PMACEKPBSA-N 440.544 2.176 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1 1300271703 JMJZYDOQLYOLQO-MFPRGYPFSA-N 445.951 2.249 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2Cc2cnn(CCOC)c2)c1 1300333091 VIFLGLWKAVVFFM-UHFFFAOYSA-N 433.516 2.103 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c(F)cccc2F)CC1 1300681736 APECMSYBWCDJEA-UHFFFAOYSA-N 444.530 2.473 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1OC 1301094003 KYBKVDMJNNHGBZ-HXUWFJFHSA-N 433.549 2.282 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301490634 XABXEGFLQICFCI-FQEVSTJZSA-N 449.342 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301497164 QHSSMMVMRFZBST-INIZCTEOSA-N 441.536 2.054 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1301514283 INYOCFXBCHBLQH-QHCPKHFHSA-N 425.533 2.475 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCCCCC2)C1 1301520772 OQSGYIWBKCFKBS-ICSRJNTNSA-N 447.580 2.234 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(N)=O)C1 1301531819 YLLJLWAGQXMSSM-OALUTQOASA-N 425.533 2.487 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301600537 CBLDFIBLGMKPJC-MRXNPFEDSA-N 437.547 2.396 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1301610989 BNOQKUXEUCNITO-SJORKVTESA-N 443.639 2.157 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(F)c(F)c1F 1302100261 XSCJKYCSHWBUCU-DZGCQCFKSA-N 439.438 2.391 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCC2(O)CCOCC2)CCOC1 1303488668 DABJAHJDNNGNMV-QHCPKHFHSA-N 447.580 2.380 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@@H]1C 1305467853 PRSOVEFKKPXENG-HOTGVXAUSA-N 425.537 2.047 30 10 IEEE CCOC(=O)c1cnn(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1C 1307757197 SDSIJBAQHLMBOP-UHFFFAOYSA-N 434.496 2.305 30 10 IEEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 1307977020 WPJHJSFBXVYNOV-GOSISDBHSA-N 443.573 2.166 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)CC1 1311833939 ZOKHFBMLOUWVFW-UHFFFAOYSA-N 446.960 2.302 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1314740936 HDEQCWSJYRSPEJ-KRWDZBQOSA-N 449.540 2.229 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1314805536 CMKAAWBHUYENES-SFHVURJKSA-N 431.500 2.222 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1F 1341114547 ZUUVNMKGBXXIOR-INIZCTEOSA-N 444.528 2.355 30 10 IEEE COc1ccc(C(=O)NCCNC(=O)COc2cccc(Br)c2C#N)cc1 1356008404 RRZULRSLJJMGHG-UHFFFAOYSA-N 432.274 2.254 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358962570 SDIZGTHJYGIJNC-IBGZPJMESA-N 433.622 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)C(C)C 1358993403 LXSPAIOONPUHPY-UHFFFAOYSA-N 434.592 2.255 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1359029159 QGSWWAYAKJNALM-QHCPKHFHSA-N 436.604 2.162 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccccc2F)CC1 1359158393 PVPBLKLAZCYIQR-UHFFFAOYSA-N 426.496 2.240 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2)CC1 1359164984 DQJJFBNQUFKRFT-HXUWFJFHSA-N 445.589 2.319 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCO[C@H]1C 1359255626 FLGRJZXQDMVXOW-GAJHUEQPSA-N 433.516 2.283 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1nccc(C(F)F)n1 1359281327 VRBXDPZTFHCNNL-UHFFFAOYSA-N 447.446 2.421 30 10 IEEE C=CCn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290068 FLVCFASAOKEJAB-KFWWJZLASA-N 427.571 2.104 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)C1 1360034209 CQWSGBCITUVEBR-QZTJIDSGSA-N 440.552 2.021 30 10 IEEE COc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 1436172743 OSTOFAFJADNXGG-JOCHJYFZSA-N 444.557 2.090 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCOC)CC1 1444260722 HFNJWRNYWICKFD-INIZCTEOSA-N 431.961 2.414 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] 1450500281 SURRJGDQGKSEKX-OAHLLOKOSA-N 440.460 2.073 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)c2ncon2)ccc1F 1452560516 IFARMNCSVZCYBY-KRWDZBQOSA-N 430.461 2.387 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c(C#N)cn1CC 1460985646 HPNOUSOZIPHWAX-OAHLLOKOSA-N 446.504 2.075 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1 1462866530 BNPXRSOLADZLEC-UHFFFAOYSA-N 425.388 2.086 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2([C@@H](C)NC(=O)OC(C)(C)C)CCOCC2)n1 1467717994 WMHTUEXPEDQJTB-GOSISDBHSA-N 448.564 2.201 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 1467943496 IYVXIHMGKGOOKC-JMERFSKESA-N 428.917 2.002 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccccc2OC)CC1 1470406067 HUDWWUFDSCZGPI-SFHVURJKSA-N 429.517 2.286 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1476411661 FNBKFKKIFMXQBY-OWCLPIDISA-N 426.498 2.185 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1479189654 PZENBTKTPCTAGY-UHFFFAOYSA-N 447.605 2.026 30 10 IEEE C[C@@H]1CN(c2ccc(Cn3c(-c4cnn(C)c4)nnc3N(C)[C@H](C)CC#N)cn2)CCO1 1494126633 CCADMHXQPRZDKP-IAGOWNOFSA-N 435.536 2.085 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H](C(F)F)N1CCOCC1 1494572133 XOOLNQNIYFYQPF-VQIMIIECSA-N 446.502 2.398 30 10 IEEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cn1 1501249980 CSGOUBVYDJYQQP-IBGZPJMESA-N 431.500 2.360 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1502944714 GUXTWXTUDBMBRB-ALARNLJQSA-N 428.537 2.322 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1COCCO1 1503461975 KLVGFAQUGPQMDE-IBGZPJMESA-N 447.499 2.239 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1507751346 MVAPLWGWTUIFJU-HXUWFJFHSA-N 446.665 2.143 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C)C1CC1 1507994212 YFPHTILHOZGGPI-GOSISDBHSA-N 435.550 2.024 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CC1 1508039439 ODOSXCAXTSLBMH-YVGXBJCXSA-N 432.546 2.341 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C(N)=O)cc2)CCOC1 1508413780 VWJIBWIYCDVSCZ-KSFYIVLOSA-N 426.521 2.062 30 10 IEEE CC(C)Cc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509170194 BIMYELOJRRETFB-VEGAHXMMSA-N 442.564 2.256 30 10 IEEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c2ccccc2n1 1510604442 GYQFELDGNQKVHL-KUHUBIRLSA-N 446.515 2.386 30 10 IEEE Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)c(=O)n1C 1510871788 MRJCKGZETUUXIQ-UHFFFAOYSA-N 432.532 2.050 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1518272432 HFVTYJUGGZOFSO-AEFFLSMTSA-N 443.504 2.323 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1533745505 BAXWNHBPYYSHIW-GOEBONIOSA-N 434.489 2.079 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539097081 BANFEWJHBXFIKB-UHFFFAOYSA-N 431.562 2.227 30 10 IEEE C=CCCO[C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1539199034 GQNPYXWCKBULNP-SWLSCSKDSA-N 428.270 2.272 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539212168 NELBQFWLHHACPL-WIYYLYMNSA-N 448.976 2.386 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539519405 GCKXUJXHEGKHJV-MJGOQNOKSA-N 439.585 2.206 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1 1539654859 GMTDQXDOVOHGNK-GOSISDBHSA-N 449.577 2.013 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540036661 QSJOTQCNJAIIME-MRXNPFEDSA-N 433.582 2.115 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1540857631 JMOCZCLAKQWSGD-ZACQAIPSSA-N 449.552 2.456 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1540870519 PLONHUJCJJXXAT-KRWDZBQOSA-N 448.474 2.175 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1540889852 VBESHQIWLJBZAD-NRFANRHFSA-N 449.559 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1540907481 YFIHYFMHYSMOKF-OAQYLSRUSA-N 434.537 2.068 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCS(=O)(=O)C1 1541111119 FQNUUIWKRWDJJE-IAGOWNOFSA-N 439.545 2.161 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)C1 1554531944 UVPCKDBFIKPADZ-SFHVURJKSA-N 445.545 2.031 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)c1 1555011933 LPJKRMRODHGMKM-PMACEKPBSA-N 427.505 2.268 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCSC1 1555663777 NGCLTURWHBQWMT-LMMKCTJWSA-N 434.610 2.322 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCCCC1 1555664009 NYRBSAGIKBFWNY-ICSRJNTNSA-N 446.596 2.264 30 10 IEEE C=CCn1c(SCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)nnc1-c1ccc(Cl)cc1 1557296246 JFFKFIPONSGGKM-DLBZAZTESA-N 433.965 2.154 30 10 IEEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 1561219897 BRSIIJOWNPYENS-INIZCTEOSA-N 433.452 2.284 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC(C)C)c2nc(C(=O)OCC)n[nH]2)c1 1568299261 NKLCSNBDADTTIY-QGZVFWFLSA-N 446.529 2.296 30 10 IEEE COc1cc2nc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)c(=O)n(C)c2cc1OC 1570834087 TZTWETLZEJIKFV-KRWDZBQOSA-N 447.495 2.173 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(C(COC)COC)CC2)CCCN1C(=O)OC(C)(C)C 1583793879 WZAOVQWDFYQCFU-QFIPXVFZSA-N 425.570 2.138 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)cc1 1585182357 NRDHSNYIUGTWIA-UHFFFAOYSA-N 437.424 2.173 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 1585546076 DKUCWGNNZMNJIC-UHFFFAOYSA-N 441.513 2.440 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCOCC1 1587580464 PZEGFNWZFZMAJL-KRWDZBQOSA-N 445.589 2.470 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC(C)CC1 1587975207 RWIHZKKJVOYVBM-GOSISDBHSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588049411 GHKHNKHIKLMGCU-UYAOXDASSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(SC)CCN(C)CC1 1588149242 KNTGRUGLYXWWQI-UHFFFAOYSA-N 447.612 2.417 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCN1CCN(C)C(C)(C)C1 1589151141 SAPQNXSQTCFZJY-WMZHIEFXSA-N 432.613 2.020 30 10 IEEE C=C(C)Cn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1593683740 PTPLYYHOZJSLAC-DENIHFKCSA-N 430.553 2.225 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1595536977 KFDHIQXTJRNVRF-QGZVFWFLSA-N 449.559 2.459 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C/C=C/c2ccccc2)C1 1595673412 HLCDBZRFLLFMCB-HKSATOIVSA-N 431.562 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 1595675040 WSKHPAYMVJLGOX-DKZVUGQWSA-N 432.496 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CO)CC1 1595822343 GLIKZUNXHHAIOQ-UHFFFAOYSA-N 443.573 2.091 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)(C)CC2)nnc1[C@]1(OCC)CCOC1 1595830817 HUIAXGARYGLAAF-FQEVSTJZSA-N 426.583 2.157 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1597573333 XYQIJSZLHVPMOI-FQEVSTJZSA-N 430.488 2.482 30 10 IEEE CC1CCN(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1612874822 ZIMSQTICZFZGPK-FCHUYYIVSA-N 434.560 2.493 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1[N+](=O)[O-] 1618070917 RPUAQZTYDKXCOE-UHFFFAOYSA-N 429.454 2.306 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1619537837 PMSGJHHTBBKZSS-RTBURBONSA-N 425.537 2.046 30 10 IEEE C#C[C@@H](NC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccc(Br)cc1 1624207904 YZGFSANAFBLZQJ-QGZVFWFLSA-N 443.301 2.421 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(C#N)CCCC3)CC2)cc1OC 1628338176 BHVYXXBHJPTOPQ-UHFFFAOYSA-N 435.546 2.305 30 10 IEEE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)n1 1629030015 VMXNRAIFUAVBNA-CYBMUJFWSA-N 428.298 2.080 30 10 IEEE CCNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)cc1 1631028662 UXQCPPBMZDWHQB-UHFFFAOYSA-N 436.331 2.478 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)NCCn1cnc(C#N)n1)C2 1635092542 UXTPACUKHACHRG-UHFFFAOYSA-N 427.465 2.101 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CO1 1636619710 WHPJDBFMISPULK-LLVKDONJSA-N 426.267 2.367 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c1 1640505280 DGMUTIGVFOPNIG-UHFFFAOYSA-N 449.573 2.365 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)Cc2ccccc21 1640695804 JPAYOTCPQICQOE-FVGNFYTDSA-N 440.500 2.386 30 10 IEEE N#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(F)(F)F 1645009949 LAARLNJGKVXBGA-FZMZJTMJSA-N 439.843 2.372 30 10 IEEE COC(=O)C1CC2(C1)CN(C(=O)COc1ccc(C#N)cc1)C[C@H]2C(=O)OC(C)(C)C 1645276908 CMICKSVCTPCDRG-HRZDDSQGSA-N 428.485 2.307 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 1647811073 CXVHPPWNBRJACA-SFHVURJKSA-N 425.489 2.452 30 10 IEEE COc1ccc(C(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 1648676349 BBZXEOUOHWPYAF-IRXDYDNUSA-N 449.573 2.412 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1673607070 HZIXMKHSJGPIEB-INIZCTEOSA-N 439.468 2.180 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1 1686549226 ZUFNJDQKYQORSA-TZIWHRDSSA-N 426.561 2.221 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN(C)CC)c1 1690000039 QAXQGJKJQSRNES-UHFFFAOYSA-N 441.539 2.498 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cscc1C(F)(F)F 1690019660 OHALNKFAAADYLN-ZDUSSCGKSA-N 442.488 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(CN2CCOCC2)c1 1690022317 ANUPCCIIDZOFRM-UHFFFAOYSA-N 440.551 2.217 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(OC)cc1 1690102207 FPWXORUJYNNTNR-LJQANCHMSA-N 425.533 2.302 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690237759 AHVMGVLDLWZBOL-XMSQKQJNSA-N 443.523 2.434 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1690435635 BZPAWGXWOUQVGB-SFHVURJKSA-N 437.548 2.070 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690511159 RIFPSTUCQAIGMT-IBGZPJMESA-N 442.568 2.043 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1690523980 VVLVSFXXTZARGB-JOCHJYFZSA-N 426.521 2.085 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1690581085 KMIJBTLDIAPKBP-XUVXKRRUSA-N 444.580 2.121 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1690624475 SIGOLDSROQYBGT-HXUWFJFHSA-N 429.569 2.037 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](N2CCCCC2)C1 1690675330 XHZKLHSMUTZOBE-FQEVSTJZSA-N 438.576 2.266 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690676395 YQXPUELDQUMGHT-XLIONFOSSA-N 425.533 2.471 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1691434634 HYVVMCJHQFBWBZ-FQEVSTJZSA-N 449.559 2.084 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1Cc1ccc(C#N)o1 1692771956 AFGXDWXVMPESSR-ZZCKCESHSA-N 432.550 2.416 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1694222014 CMQQKMMUBMHISJ-IRXDYDNUSA-N 426.521 2.259 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1697354924 SHZISKQLQKSKMU-ZWKOTPCHSA-N 427.505 2.242 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1nccnc1C 1698059752 IATXWGFMZRGXRP-UHFFFAOYSA-N 449.515 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1705481769 MLKPLUZXBOSUGA-HNNXBMFYSA-N 432.546 2.388 30 10 IEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1705516735 HYWVGPWHSXZYSW-ZWKOTPCHSA-N 444.536 2.119 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OCC(F)(F)F)nc1 1705558595 CGZVLWVHORFMBC-RDJZCZTQSA-N 439.438 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1705598499 KVHBQXWEYZTNLV-MIZPHKNDSA-N 445.633 2.154 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1705643129 SWXOCBCCBUKUNK-CYFREDJKSA-N 439.560 2.172 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCn2ccnc2C)CC1 1705643269 YSNLUCNVZAIRAJ-UHFFFAOYSA-N 433.560 2.434 30 10 IEEE C#CCSCCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705665268 OQTIFIPMRZWJDF-QFIPXVFZSA-N 449.621 2.038 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)CC1 1705769639 YSOOGGJEAYZGRH-IBGZPJMESA-N 447.561 2.275 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1705819140 DVNUMKROZDGAMO-IAGOWNOFSA-N 432.546 2.423 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705828212 GKTGGUWJHWVCPB-NRFANRHFSA-N 425.581 2.149 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccnn2)CC1 1705831040 DXVGLQRXISHWHE-UHFFFAOYSA-N 440.577 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]2CCC[C@@H]21 1705930455 NSJLGRJRUSBUSU-SJORKVTESA-N 444.561 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)C[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705938677 GZCNBTZESFMGHM-LVCYWYKZSA-N 440.610 2.402 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705945327 IEPFIKVQIXMYQH-IAGOWNOFSA-N 428.624 2.495 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1711444267 FOIHZHGUHKUJGW-UHFFFAOYSA-N 438.532 2.368 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1722297154 XXVATTLHNNHTPQ-GSHUGGBRSA-N 435.569 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H](C)CN1CCOCC1 1722304153 WYYFQHRUAXSXPS-OALUTQOASA-N 427.549 2.292 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)C(C)C)c1 1722308697 DLTOEDOSNSPFPR-FDDCHVKYSA-N 425.533 2.245 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722379822 ZNSCUGXUERVHRQ-GOSISDBHSA-N 435.532 2.455 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722545869 PZFHVPXKXJXGJH-HNNXBMFYSA-N 440.913 2.124 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1722866441 BEDYRDMYVICCIQ-LMMKCTJWSA-N 442.589 2.227 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1723781230 XWSYETDEEOEYLR-OAHLLOKOSA-N 432.475 2.134 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(C)CC1 1723964748 SWGOAAOUSKBAEN-NXHRZFHOSA-N 428.562 2.432 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1726828551 DCPKBXRAFRLSFO-PEBXRYMYSA-N 436.520 2.011 30 10 IEEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728955729 WNPSCJLTOJZZQW-HWEPQYAMSA-N 444.536 2.051 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1729375550 CNIHTIJBJFMVCC-QGZVFWFLSA-N 437.548 2.082 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1729999884 MUBCWPBYHSDSPQ-FOIQADDNSA-N 433.896 2.141 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCN(C(C)C)CC1 1740643079 FMWXBXZAAHSLBV-UHFFFAOYSA-N 449.599 2.380 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(O)(CCC)CCC 1740726246 ZTQVIAVKKMJPSO-VQIMIIECSA-N 425.599 2.212 30 10 IEEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740743713 BWMOHMCNLVDNTR-AWEZNQCLSA-N 437.342 2.317 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740750614 DHFDIDWHUZIVSP-PZJWPPBQSA-N 432.613 2.373 30 10 IEEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)CC1 1740841328 VPKUFKGRWXBILJ-UHFFFAOYSA-N 428.562 2.302 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740884836 OBKGVLXCRSZSAH-CQSZACIVSA-N 426.443 2.371 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(=O)OC)C1 1740955097 LSZVABQXSYKFJE-KRWDZBQOSA-N 434.500 2.185 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1scnc1C 1740961989 OOBXKGXLYYSXRF-UHFFFAOYSA-N 436.545 2.220 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740963561 OMWMAIBPKFCOTM-QGZVFWFLSA-N 448.449 2.351 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)C1 1740985700 SZVCCHGQYHIVHV-YVHKJVDXSA-N 432.496 2.317 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1740985731 UFSFRLNVHVCQTF-FZYZMVIOSA-N 441.557 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OCC2CC2)C1 1740993222 ZSSVFUZBMGFBHH-RTBURBONSA-N 438.594 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740993908 FUWKICPLNYLCCS-XLIONFOSSA-N 443.573 2.089 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1748641704 JKLJYFYXDLPBSV-MZKRTTBSSA-N 433.597 2.133 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 1748790169 WIXSCSWSHLGZCR-KNQAVFIVSA-N 438.576 2.134 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC(F)F 1748810562 GMHKBACLNCDFPE-CABCVRRESA-N 435.431 2.169 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCCO 1748834758 VXDJNGICNOAFNZ-UHFFFAOYSA-N 431.334 2.488 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[S@@](=O)C(C)(C)C)CC1 1748999736 DLKOZKHGUYQLCO-WJOKGBTCSA-N 447.580 2.299 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749146652 KUMFJLKDTXEBGL-UHFFFAOYSA-N 429.546 2.159 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749363348 BAYOGDLFPOYQEV-VGOFRKELSA-N 427.553 2.317 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1750204428 BOWGCHUFEZDREN-IBGZPJMESA-N 429.546 2.114 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCO[C@H](C)C2)n1 1751844753 BDLSPRSQZDWIAO-DENIHFKCSA-N 444.559 2.083 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1760184767 LTKRMLRYADXFQQ-KRWDZBQOSA-N 427.530 2.168 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1760186636 PPNQZDOLWIHYMZ-OAQYLSRUSA-N 443.617 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)nn1C 1760196904 ZXAJTGBJKNYBQU-UHFFFAOYSA-N 426.322 2.209 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nc2cccc(Cl)c2n1C 1760242704 LVJUVSXJHLULDS-UHFFFAOYSA-N 443.939 2.091 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)C(C)(C)C)CC1 1760272009 VMHVAEVGWRMYNI-FQEVSTJZSA-N 438.576 2.291 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1760273846 FDGWOFJPVYGDHY-UHFFFAOYSA-N 440.573 2.314 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1760294766 GARXAERTGVHOOV-PGRDOPGGSA-N 443.573 2.404 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC 1760338824 VPSOVFOTVZZDEL-UHFFFAOYSA-N 447.609 2.289 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760452631 PBZZIAHJSMHZLS-HSZRJFAPSA-N 437.548 2.342 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCCn1cnnn1 1760480201 NXRWZTBRRGSATB-FQEVSTJZSA-N 433.520 2.313 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1760807311 GIPJLHKRZSNGBM-ZTFGCOKTSA-N 426.521 2.411 30 10 IEEE CC(C)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760910903 DJKUDFAQVLZQJE-RWNPKEDZSA-N 428.537 2.181 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1761360853 VLGHSIDHIVLUBD-HNNXBMFYSA-N 427.509 2.147 30 10 IEEE CCc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763017303 HTKFPBSTOFJGAS-FMQUCBEESA-N 428.443 2.208 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1764457563 ZTTMBOKQAKSZJR-RBUKOAKNSA-N 437.596 2.482 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1764581596 PHSKCCJKTSMXMI-QHCPKHFHSA-N 438.532 2.262 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCS1 1765249558 TXEWVAMVFHBLJG-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C#N)C1 1766114426 URSQTNWXYDRJII-RBUKOAKNSA-N 431.585 2.190 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1766666846 BMXPXDALWUXMDG-OAQYLSRUSA-N 443.529 2.188 30 10 IEEE COc1cccc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1768831408 OGIJEVPHWRIZIG-DQRAZIAOSA-N 436.516 2.402 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1768948149 LYWWTHMHHVWIAS-UHFFFAOYSA-N 436.520 2.279 30 10 IEEE CN(C(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1)[C@@H]1CCS(=O)(=O)C1 1850951667 AVGWKFVHEKWSLG-QGZVFWFLSA-N 430.505 2.107 30 10 IEEE CCN1CCN(CC(=O)N(c2ccc(F)c(C)c2)c2n[nH]c(N=CN(C)C)c2C#N)CC1 1851845578 KIRWNYSABSDQMB-UHFFFAOYSA-N 440.527 2.253 30 10 IEEE COCCN1C[C@@H](C(=O)Nc2nncc(-c3ccc(Br)cc3)c2C#N)CC1=O 1852542836 PNYORNIGXKXOPC-ZDUSSCGKSA-N 444.289 2.211 30 10 IEEE C=CCN(CCCC(=O)Nc1ccc(I)cn1)[C@H]1CCN(C)C1=O 1852960047 POLAPZDBIIRJQE-AWEZNQCLSA-N 442.301 2.124 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)Cc3nc4ccc(Br)cc4[nH]3)CO2)nc1 1853057562 ATAYSYXERJAMHC-ZDUSSCGKSA-N 428.246 2.498 30 10 IEEE CC1(C)C(=O)N(C(=O)c2c(F)cccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517297 XGYFKDPJMRFMIN-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1=O 1855445794 MXCAOJYWVJWKFH-AWEZNQCLSA-N 443.447 2.395 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(OCC)cc2)cc1 1858963254 DMZVZFFXFIJCGX-UHFFFAOYSA-N 448.497 2.381 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2C(=O)O)cc1OC 1862572682 KXGUJCWIBUTMOS-IBGZPJMESA-N 441.436 2.363 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1C(=O)O 1862629148 PCBVYYHKODWJDR-ADLMAVQZSA-N 425.393 2.073 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(OC)c(O)c2)c1 1862704977 NFMHYNOWKVGXNF-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nn2c(C)nnc2s1 1868899310 PDKXLWXZWVOZRP-SFHVURJKSA-N 438.557 2.355 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2c[nH]c3ccccc23)CC1=O 1874273329 FILGWVFAKYLAPL-VRVUXBDFSA-N 439.545 2.333 30 10 IEEE C=CCOc1ccccc1OCc1nnc2sc(CNC(=O)c3cnc(C)cn3)nn12 1874773269 HKXMOUVHMFDJKD-UHFFFAOYSA-N 437.485 2.358 30 10 IEEE CCOc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cn1 1890068519 UNSUIPYJJSKBAB-UHFFFAOYSA-N 428.577 2.131 30 10 IEEE Cc1cccc(OCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890175412 QAXHCTHROGVCAL-UHFFFAOYSA-N 427.589 2.411 30 10 IEEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(CN(C)c3ncccc3C#N)CC1)CS2 1890180369 HTQKZQWPDLRURR-SFHVURJKSA-N 438.557 2.230 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)c1 1890820784 PUVGAMLMWLPYFS-GOSISDBHSA-N 440.569 2.318 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993457683 VJYWIVPHEBNYLH-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE Cc1nc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2116142615 OVODKHAASSVPSN-RTWAWAEBSA-N 436.365 2.174 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128729952 HCHYBGDGGZMFIR-MSOLQXFVSA-N 446.353 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141670296 MNKOMDRRDXVFRC-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2211760127 WZGKKUFZTHFGKP-LLVKDONJSA-N 434.278 2.073 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1ncccc1B1OC(C)(C)C(C)(C)O1 2224127366 ITLACOWWMWSNSF-MRXNPFEDSA-N 433.358 2.311 30 10 IEEE CCC[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248402677 ZSCKNPVUWZTISF-GFCCVEGCSA-N 440.375 2.281 30 10 IEEE CC1(C)OB(c2nc(=NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)s[nH]2)OC1(C)C 2249030625 ZCBNRYYGDVYTMW-MRXNPFEDSA-N 428.367 2.110 30 10 IEEE CCC[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255653616 LILBNQQBNFFJCJ-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255871145 RGWCNNNQCNJHAZ-INIZCTEOSA-N 429.326 2.286 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258892980 ZIBYILWVAMSUNV-ZFWWWQNUSA-N 434.346 2.227 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267015321 MLAIFKAPLSHULM-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267129729 FQFCHFZPNWQXIW-ZBFHGGJFSA-N 448.373 2.143 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCN(Cc4ccccc4)CC(F)(F)C3)[nH]n2)OC1(C)C 2267145815 HHRHJMDVCWRIOD-UHFFFAOYSA-N 446.307 2.302 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267196274 OKQLEJVZSSPWEW-NUEKZKHPSA-N 446.357 2.084 30 10 IEEE Cn1ncc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267510248 IKIOLRIGPQTSKR-JOCHJYFZSA-N 448.373 2.143 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267537648 JIOUVIQZFFWFKQ-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H](C)CN1Cc1ccccc1 2267540537 XVNWHDVMTGYOCG-QZTJIDSGSA-N 438.381 2.454 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267596538 KCIFNGITGGCHDA-IAGOWNOFSA-N 446.353 2.004 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCSCC(F)(F)C2)OC1(C)C 2282876960 KXHHGSPTTHSUAT-UHFFFAOYSA-N 425.353 2.420 30 10 IEEE CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(c3ccnc(C#N)c3)CCO2)n1 2296584472 AFIOXHQUOOJVHK-HXUWFJFHSA-N 429.484 2.153 30 10 IEEE C=CCN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1cccc3cccnc13)CC2 96210905 DFNGNJQCTROCKA-IBGZPJMESA-N 428.558 2.358 30 10 IEEE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(N(C)C)cc2)CC1 252630523 VBJPZHQSZMIYPU-UHFFFAOYSA-N 446.533 2.043 30 10 IEEE C#CCn1c(=NC(=O)c2ccc3ncsc3c2)sc2cc(S(N)(=O)=O)ccc21 254403153 HZWAWBLVUDXUAH-UHFFFAOYSA-N 428.520 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccc(Cn4ccccc4=O)cc3)NC[C@H]2C1 305047133 YOOKQWDKKUJJKZ-FQEVSTJZSA-N 437.544 2.277 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 382602527 PEJYZTSRSWPFFD-UHFFFAOYSA-N 432.374 2.307 30 10 IEEE CCN(C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H](C)Cc1ccc(OC)cc1 429897186 CHEDQQVHUPWHGK-KRWDZBQOSA-N 446.511 2.874 30 10 IEEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 433887744 JRPVDAQYIIXKMB-STQMWFEESA-N 431.308 2.052 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 436764085 OKVPNRFBVOSWBE-UHFFFAOYSA-N 439.415 2.429 30 10 IEEE N#Cc1ncccc1OCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 477068088 NQCMGMOKDOLHAV-UHFFFAOYSA-N 426.498 2.096 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 480114486 NRPBNWWPSCRASK-SJCJKPOMSA-N 447.314 2.369 30 10 IEEE C[C@]1(c2ccc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)cc2)NC(=O)NC1=O 482637107 JSZMTTUZYHISBA-HSZRJFAPSA-N 431.496 2.029 30 10 IEEE CCOc1ccccc1[C@@](N)(C(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 484268372 AMYMRMYEHWKZNZ-HXUWFJFHSA-N 433.434 2.417 30 10 IEEE Cc1ncc(S(=O)(=O)NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1C#N 489690045 VCQCINSWJBQQJG-AWEZNQCLSA-N 429.420 2.290 30 10 IEEE COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 503728087 OWESFZHURKIGAO-GOSISDBHSA-N 427.482 2.127 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 508511671 WCMWESMEMXOXLR-MRXNPFEDSA-N 445.593 2.309 30 10 IEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508958889 CIFGNHZIZALZRY-QGZVFWFLSA-N 436.520 2.192 30 10 IEEE CCN(CC)CC1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512833444 MLISJMLFBOXWGI-UHFFFAOYSA-N 426.496 2.402 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccc(C)cc3)cc21 526835950 JWFMBTXUJXBSRY-PMERELPUSA-N 426.494 2.477 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccccc1 530893670 ZSZMQXZUHVWXKO-UHFFFAOYSA-N 446.557 2.017 30 10 IEEE C[C@@H](C#N)CN(C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C)C1CC1 533600423 NXYBPOMXUAWATM-LBPRGKRZSA-N 447.451 2.194 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1 540694378 RXWLVRAYGBXXPK-UHFFFAOYSA-N 425.510 2.397 30 10 IEEE COCc1nc(OC)c2c(C)c(C(=O)N3CCN(c4cccc(C#N)n4)CC3)sc2n1 544863952 KFPXCIYBQWZBNG-UHFFFAOYSA-N 438.513 2.384 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 549298293 MJWNBNSTCNKLBX-UHFFFAOYSA-N 448.487 2.250 30 10 IEEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 555263851 KPVZTSVAMLLSPO-UHFFFAOYSA-N 432.506 2.230 30 10 IEEE COc1cc(CNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)ccc1C#N 589626454 NHIKEBGXTJJNGQ-UHFFFAOYSA-N 426.424 2.469 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)nn(-c2ccccc2)c1N 590065364 WOCHTNJPZKVKHY-MRXNPFEDSA-N 430.516 2.106 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 609908731 ATYLJCAXEDOSOK-AVRDEDQJSA-N 445.523 2.496 30 10 IEEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 618827767 PSEINBCTTVTKQW-QNWVGRARSA-N 429.524 2.444 30 10 IEEE CC1CCN([C@@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc2)CC1 732448144 DSJZDMZRGGFFAD-XQDODVJUSA-N 425.533 2.285 30 10 IEEE CC(C)(C)OC(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 742810172 FAPCLFCMSVMOAR-UHFFFAOYSA-N 443.525 2.387 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 748401968 DROWAXDVLHLZSF-UHFFFAOYSA-N 430.482 2.123 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2nc3cccc(C)c3[nH]2)cn1 765546811 GXPIBXCPVRMJRB-OAHLLOKOSA-N 425.518 2.356 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCCOc2cccc(C#N)c2)C1=O 771443352 YFOQXBFAUBYEIU-HSZRJFAPSA-N 437.452 2.265 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781662475 SFESXPGHAIMXFC-AWEZNQCLSA-N 443.569 2.085 30 10 IEEE CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Br)cc1 784127227 WWFIJFJWZBBVJL-CQSZACIVSA-N 427.368 2.468 30 10 IEEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cccc1Cl 784960433 VMGXMHBTJWAQAN-KRWDZBQOSA-N 440.836 2.087 30 10 IEEE CCOc1cc(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)ccc1OC(F)F 787298979 RBXRQXBNCJIMHD-UHFFFAOYSA-N 433.411 2.500 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(-c2ccc(F)cc2)c1 789968365 NJCBUMQHXVGXBQ-UHFFFAOYSA-N 440.508 2.489 30 10 IEEE C[C@H]1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCN1C(=O)OC(C)(C)C 793641691 ZRTYUDJPEDUCBQ-ULQDDVLXSA-N 428.537 2.421 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n1 807435585 SZYWOUKQSOCTEZ-UHFFFAOYSA-N 437.949 2.397 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1)C1CC1 814704984 STDPNEFIWBRXQN-OALUTQOASA-N 432.590 2.419 30 10 IEEE CCOc1ccc(C=NOCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC 849777605 SQABDDLSPAZRIG-KRWDZBQOSA-N 426.535 2.116 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)[C@H](C#N)C(=O)NCc3ccc(OC)cc3)c2C)nn1 917036837 OYKCSMNXWFOKIU-KRWDZBQOSA-N 434.456 2.017 30 10 IEEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084525115 VJZLBHQRQNHYDZ-UHFFFAOYSA-N 440.489 2.063 30 10 IEEE N#Cc1cc(NC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)ccc1N1CCC(O)CC1 1137499037 PMLUQKQSHZCRDQ-PZJWPPBQSA-N 449.429 2.269 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc([C@]4(C)NC(=O)NC4=O)c3)n[nH]2)c1C 1143160939 QIDHUMCNKAUPSY-QHCPKHFHSA-N 447.499 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1153853050 SIUZISNCCKGOFZ-QFIPXVFZSA-N 431.464 2.123 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1OC 1175932911 MXLZMIOLBIYCSS-RVFJIUOTSA-N 429.561 2.186 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1286303829 DVRQDDFENJVOLF-DBHNTLKXSA-N 435.569 2.294 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286320854 HXGFIUHURZYFOM-INIZCTEOSA-N 441.561 2.327 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(OCCC)c2)CC1 1286477408 ZUEKUGBOGROCCJ-UHFFFAOYSA-N 433.560 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCSCC(C)C)CC1 1286490794 SIEMNFGIFNVLMO-UHFFFAOYSA-N 427.578 2.090 30 10 IEEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286686130 BZAQNNUMGQTXLL-IBGZPJMESA-N 432.569 2.450 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286697737 DUQUOHOGWVRMIU-QGZVFWFLSA-N 445.593 2.309 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1286796578 NJEMLCUWRCZIHI-IBGZPJMESA-N 440.548 2.247 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286798260 FBLSCMLOORWCBS-MJGOQNOKSA-N 425.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](OCC(C)C)C1 1286820391 KTINSOHTVQRBDP-MSOLQXFVSA-N 426.583 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](OCC(C)C)C1 1286820393 KTINSOHTVQRBDP-ROUUACIJSA-N 426.583 2.024 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286824638 ZLAYSKKLYJKQEZ-UHFFFAOYSA-N 438.598 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1290319622 MHIKWEIIKMLLLI-IBGZPJMESA-N 449.596 2.120 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCc3nn[nH]c32)cc1 1291831354 CEXYJLMQZCELOD-SUQPPTJISA-N 430.534 2.456 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 1294647433 HCKYUVFKENWFQG-GOSISDBHSA-N 430.578 2.029 30 10 IEEE CCN1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1296154208 KWYQTYPAVDVQNA-WXVFVKJXSA-N 435.532 2.002 30 10 IEEE CCOCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297015493 SCSHYJPTSXPWED-IHPCNDPISA-N 446.596 2.241 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1297627211 VZRKDCOJRCSCDE-RQZFFVEVSA-N 443.573 2.360 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1298607567 HMNYIQLHOVPDQV-UHFFFAOYSA-N 446.380 2.499 30 10 IEEE CN(CCN(C)C(=O)c1ccc2c(C#N)c[nH]c2c1)CCN1C(=O)c2ccccc2C1=O 1298756284 KTIZKAKRVPLAPL-UHFFFAOYSA-N 429.480 2.340 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C#N)o2)C1 1299370819 NTMXVBUWVQQUBA-CQSZACIVSA-N 437.456 2.475 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N2Cc3ccc(C#N)cc3C2)cc1 1299941587 VXOFRCCWCSBOQI-RBBKRZOGSA-N 439.537 2.348 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300446212 IXEZVRQBMPQNRS-UHFFFAOYSA-N 449.946 2.412 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1300591219 NBNALRRHIUGSMG-UHFFFAOYSA-N 449.555 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(C(N)=O)nc1 1300655178 QTOMDTHKMHQNHI-UHFFFAOYSA-N 442.882 2.366 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCOC1 1301576153 AHCOADCRGRYXRV-KRWDZBQOSA-N 427.530 2.319 30 10 IEEE CC(C)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1303462504 DQPIBOCNIHYNLZ-UHFFFAOYSA-N 434.504 2.405 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CCCCOc2ccc(Br)cc2)c1=O 1307274448 QIMRYZDLHIZSEW-UHFFFAOYSA-N 436.306 2.165 30 10 IEEE N#C[C@]12CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1312454939 BGNTVBKOTBCIRF-YVEFUNNKSA-N 437.319 2.010 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1314935040 WLUVXLIYEATTLX-UHFFFAOYSA-N 431.500 2.252 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)c1occc1C 1315034161 YZEYHHJFGWRQRU-UHFFFAOYSA-N 449.515 2.111 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1Cc1ccc(C#N)o1 1316180868 RWKCKUJFYAELOP-HNNXBMFYSA-N 442.520 2.010 30 10 IEEE Cc1c(-c2nc(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)no2)cnn1CCC#N 1334857587 NQVFIAAKQCHTEJ-UHFFFAOYSA-N 446.471 2.134 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1358955579 OUIVBSKBAUHZJG-LJQANCHMSA-N 432.594 2.237 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358966538 RHIURNZBFXSVRK-IBGZPJMESA-N 439.541 2.035 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCS(=O)(=O)Cc1ccccc1 1358975540 VKVVRALFZZBQHF-UHFFFAOYSA-N 433.537 2.418 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1359013747 KLAVPDSKINGVBV-UHFFFAOYSA-N 436.560 2.424 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCn1cc([C@@H]2CCOC2)cn1 1359022705 KFOOKWSNDDFAES-LJQANCHMSA-N 435.532 2.135 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1359289251 PWSTWZYARONDAF-UHFFFAOYSA-N 440.523 2.258 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359585602 HSWRHOSTJUZDIC-MJGOQNOKSA-N 438.532 2.259 30 10 IEEE C#CCN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)[C@H]1CCOc2ccc(Br)cc21 1360310623 JGWORBRKGXUDGS-YJBOKZPZSA-N 441.347 2.206 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1360338381 CLEZAVANGCGIDO-JCGIZDLHSA-N 429.443 2.185 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1360799348 XXKHEBHCVXFVJY-KRWDZBQOSA-N 443.502 2.119 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 1442714459 DYVDJLDSMLGYGP-INIZCTEOSA-N 443.953 2.041 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 1452493018 APCSXHDDFSETIN-LJQANCHMSA-N 430.505 2.103 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1 1452496584 IWQCWPBPIPBZEK-IBGZPJMESA-N 442.516 2.489 30 10 IEEE CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1452953303 DKPCZQQYHFYSIE-FQEVSTJZSA-N 435.532 2.179 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1462352610 AUSLNHYVLYJLQT-SFHVURJKSA-N 426.494 2.167 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 1469061351 ONDFEIVZSVJGFZ-UHFFFAOYSA-N 446.555 2.294 30 10 IEEE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCc3cncc(C#N)c3)cc21 1475705513 QPOCYARROPRIOP-UHFFFAOYSA-N 435.303 2.103 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1496372641 CVGRHHPTYOXCET-KNQAVFIVSA-N 443.573 2.110 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1501416410 KUPQRNWPZNHCKG-PMACEKPBSA-N 449.559 2.038 30 10 IEEE COCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505052862 STPHCENXPJZASF-UHFFFAOYSA-N 439.564 2.267 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)C[C@H]1OC 1505114080 ICJXOPLLZVOLIH-SESVDKBCSA-N 441.532 2.110 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1505292381 NDMNNPOGCACPHM-KRWDZBQOSA-N 429.521 2.131 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507629897 QQGRHMXOAOBERH-QZTJIDSGSA-N 445.564 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1507654775 SLWROIGFUQJOPO-UHFFFAOYSA-N 439.947 2.448 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507755138 BSRVHDVRTHPTEI-OAQYLSRUSA-N 446.646 2.301 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507756704 LVDPJQGLTNEMRG-MSOLQXFVSA-N 444.513 2.346 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1508034497 VXUWXDDYDXADET-OAQYLSRUSA-N 434.562 2.313 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCCO2 1508041270 KQHYKOIOTLJQCP-KRWDZBQOSA-N 427.505 2.078 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1508108089 HRVOJAHZTFMZKK-HXUWFJFHSA-N 449.559 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)cc(C)c2C1 1508131698 PICLRACIZLADKP-UHFFFAOYSA-N 449.552 2.027 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CCC2)CC1 1508142312 BIYLPKXDGCJQPK-UHFFFAOYSA-N 443.617 2.339 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1508147419 KFXMHGQPNNCIQB-UHFFFAOYSA-N 434.610 2.317 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1515478678 OKPUSPIEJMVADY-RTBURBONSA-N 428.558 2.225 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1516391509 HZSJIVDSXXYDHA-BATSVXPKSA-N 449.458 2.205 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1518832753 JIQMICNOBRMMPA-BEFAXECRSA-N 438.488 2.240 30 10 IEEE COCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1518977583 BSMAZOPFIIRYLO-VIZSFHNOSA-N 441.532 2.367 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1COCCO1 1519150493 FRBRQMFFZHWLPV-NHCUHLMSSA-N 441.532 2.460 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)[C@H]1c1ccnn1C 1520125427 AWHRWLSVAWEDRU-MOPGFXCFSA-N 436.497 2.342 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1521062495 DXDIPKNVGRXBAZ-YLJYHZDGSA-N 435.500 2.417 30 10 IEEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)cc1 1521873403 HSRDBTFCCGPFIM-XMMPIXPASA-N 435.480 2.099 30 10 IEEE C=CCN(C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1)[C@H](Cc1ccccc1)C(=O)OCC 1522959929 RAGOXYWWYSJGOV-WOJBJXKFSA-N 430.545 2.449 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1539224896 JXHQCINUNYFYDR-SFHVURJKSA-N 448.614 2.374 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCc2ccccc2C1 1539232897 TZXMXSLCBFOQQV-UHFFFAOYSA-N 432.572 2.328 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cccnc2OC)CC1 1539459364 FRTVBIZGBCPMHX-UHFFFAOYSA-N 432.528 2.107 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)C1 1540894385 XBYNHGFWSVOKRI-KNQAVFIVSA-N 428.606 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2CCCC[C@H]2C1 1540901286 YSZFFKKHDAJGKG-SFHVURJKSA-N 445.589 2.229 30 10 IEEE CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1541509891 CYVFUJLATVKQKK-UHFFFAOYSA-N 446.577 2.247 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CO1 1543734719 KAWRTNXOWHVXLX-IXDOHACOSA-N 437.537 2.485 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)s1 1543832152 XQIFTBYUNLXIEB-HNNXBMFYSA-N 445.570 2.204 30 10 IEEE CCc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546477873 MWUVOPXSABZRQK-HNENSFHCSA-N 444.927 2.058 30 10 IEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1547206971 HSGHQXIEUUQAMS-IBGZPJMESA-N 430.578 2.172 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)cc2[N+](=O)[O-])CC1 1557718542 DRZOZUARQWULEE-UHFFFAOYSA-N 448.483 2.071 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)Nc3n[nH]c(-c4cccc(C#N)c4)n3)CC(=O)N2C(C)(C)C)cn1 1559046751 RUDGZNAAAFNVFM-AEFFLSMTSA-N 432.488 2.404 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1587638895 HWVHRWCGHUIGPN-DOTOQJQBSA-N 425.514 2.341 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1587638901 HWVHRWCGHUIGPN-RDJZCZTQSA-N 425.514 2.341 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587652353 XQPACMMOQDGIPC-PKOBYXMFSA-N 431.548 2.223 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1588628147 DZQLFJILRYKZSY-INIZCTEOSA-N 429.525 2.077 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccc(C)cc1 1588637926 LJOIKYZCIZSSIZ-HXUWFJFHSA-N 425.533 2.344 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cn(CCCC)nc2C)CC1 1588849092 YOELNPVSBRKEFY-UHFFFAOYSA-N 432.576 2.372 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1589687461 GOWXXWHKNPCGPR-UHFFFAOYSA-N 437.541 2.434 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1593857938 APSLNXYRMQAGHJ-UHFFFAOYSA-N 442.955 2.416 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1594697787 HKJUBXDHYIRZIO-GOSISDBHSA-N 435.536 2.192 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 1594937859 DYHSZOINRXCUHU-GOSISDBHSA-N 431.445 2.493 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1595156143 GVALTJMNJPGKQC-CVEARBPZSA-N 428.562 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 1595550584 FYXPTWGOCYNLHC-KRWDZBQOSA-N 448.568 2.125 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1595728308 ATEZFWTUXWOZGP-IBGZPJMESA-N 445.951 2.162 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1595900596 GMAMXTWLQVGGDR-MRXNPFEDSA-N 426.546 2.315 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1606809915 TXIYIDVKALNGBU-HKUYNNGSSA-N 442.516 2.005 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC=CCC1 1608580185 ZAUGBMRBCIBMKM-MSOLQXFVSA-N 449.563 2.149 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)CCO1 1613718118 GTNGXOMEWWVQSB-DENIHFKCSA-N 429.521 2.395 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nnc(S)n3CC)C2)c1 1616742472 QIBIPRNPCLKQSD-MRXNPFEDSA-N 432.571 2.404 30 10 IEEE Cc1ccc(C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)cc1S(=O)(=O)NCC#N 1617873162 NQPURIBDQKRZQH-UHFFFAOYSA-N 437.525 2.491 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1-n1cccn1 1619913038 SRUVBGNQAIFKFI-IBGZPJMESA-N 436.520 2.168 30 10 IEEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1620119374 MXKLQMWITMXZQB-UHFFFAOYSA-N 432.531 2.163 30 10 IEEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)o1 1620350877 NHHCGTLQUCCKGM-CQSZACIVSA-N 447.377 2.206 30 10 IEEE CC(C)(C)OC(=O)C(C)(C)CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1627022648 NPTUTPOAXUTTLF-UHFFFAOYSA-N 437.562 2.380 30 10 IEEE C#CC[C@]1(C(=O)NCc2ccc(OCCO)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1630546267 GEPBEWRDICBTHK-HSZRJFAPSA-N 432.517 2.476 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1632077508 CCWJWFABOOKLIF-GJZGRUSLSA-N 425.298 2.331 30 10 IEEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2)c1 1637748577 GZSJOXRFHQZBMC-VXKWHMMOSA-N 435.528 2.325 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1639555672 CDTNCPORRRKWCZ-UHFFFAOYSA-N 440.500 2.389 30 10 IEEE Cc1nc(COc2cccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c2)no1 1641858139 QYDZBAPTWSXPSN-UHFFFAOYSA-N 436.424 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1642543036 JINUAOOPMYSMGH-QFIPXVFZSA-N 430.480 2.157 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n(-c2ccccc2)c1C 1648244051 OGEQSNJAHGFQER-MSOLQXFVSA-N 426.542 2.271 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(CCC(F)(F)F)C[C@H](O)CO)n(Cc2ccco2)c1C 1652847651 JRIDQCRGGWYTES-HNNXBMFYSA-N 442.438 2.164 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1 1652916086 GDHCAYQRGULYBL-UHFFFAOYSA-N 425.510 2.445 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC4(CC3)NC(=O)N(C)C4=O)c2C#N)C1 1653144696 JZTJIHFGVXLGSE-CYBMUJFWSA-N 429.546 2.089 30 10 IEEE C#CCN(CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CSC1 1655021571 URQIOZOABGEJPW-UHFFFAOYSA-N 432.899 2.453 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccs2)cc1Br 1662498441 BUPMBPMFKOAFCQ-AWEZNQCLSA-N 444.307 2.383 30 10 IEEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1671946432 FENOCQMGEDEJCN-KRWDZBQOSA-N 432.523 2.174 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1680778556 GXGCSJLCADXLQM-WZONZLPQSA-N 426.517 2.422 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)c1ccc(Br)cc1 1683681792 VUMWBOGYUOAETB-YJBOKZPZSA-N 435.366 2.365 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1689851007 KLPTYEUPJCIZNZ-BZSNNMDCSA-N 446.573 2.362 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCn2ccnc2C)c1 1689871833 GOUMUMGJUWLKCA-LJQANCHMSA-N 433.516 2.043 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1689918073 PUHHQXSJTVKLEE-UHFFFAOYSA-N 446.533 2.175 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1689947930 OQYHISCHHPQLAC-SJORKVTESA-N 429.496 2.122 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689993481 FHKYADMTUVSGSB-INIZCTEOSA-N 447.611 2.256 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1690003525 PUWRYCFOMKJXBW-DEOSSOPVSA-N 445.527 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690144073 LAIZRTBUOZLJAT-UHFFFAOYSA-N 448.571 2.066 30 10 IEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690649628 GDBMOKNVXIZXDD-HXUWFJFHSA-N 438.532 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1690668289 ZAHAGQMBTDTPOQ-ZWKOTPCHSA-N 439.564 2.164 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCCCO1 1690672365 PWOCSVRCYWPVDU-LPHOPBHVSA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690673684 ABUOVRYQEGLQQJ-SFHVURJKSA-N 437.548 2.091 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1690729576 RIWHZRVSBNEACZ-HDICACEKSA-N 434.562 2.380 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)C1 1697044976 HWNFONMTIIPCBP-ICSRJNTNSA-N 439.516 2.259 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](OC)C(C)C)c1 1705503723 CNJSWQQTTXZBPI-IBGZPJMESA-N 440.548 2.144 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1705507620 ATIBWVIJSOYHHM-GOSISDBHSA-N 426.908 2.394 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705527402 XFSBRHUOACFHDO-HTAPYJJXSA-N 444.557 2.146 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705564284 BNXIGGCDEYOPMB-RBUKOAKNSA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705566688 QHXYDWTUIDRANX-QZTJIDSGSA-N 431.562 2.249 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cccc(C)c2)CC1 1705639480 PDWMWCKMWFNIRM-OAQYLSRUSA-N 436.560 2.013 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1705735186 LCBQKJPVIBXRTR-IBGZPJMESA-N 427.553 2.190 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(F)cc(F)c2C1 1705895098 UAIYTMDEISHDSB-UHFFFAOYSA-N 446.502 2.340 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(F)cc2C1 1705909435 XIYBKPXTSHDTTN-JXFKEZNVSA-N 429.496 2.006 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(Cl)c1 1706900904 RCIGXHXPUDFOIE-XERREHJYSA-N 431.924 2.462 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C1 1712585653 MVCJZFAMMUWMJZ-NFBKMPQASA-N 441.532 2.254 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C[C@@H]1O 1712834537 ZYFSAKPYPRZCKA-GTCCEBARSA-N 426.590 2.461 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCN(CC)CC1 1722299125 MAQQIJBSGGCLRT-HXUWFJFHSA-N 426.613 2.015 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)COC 1722393998 LWABJMDTDRMSDM-GOSISDBHSA-N 432.528 2.420 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1722505019 QOUCUJNADXRTRN-KNKQGSTJSA-N 441.580 2.213 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)S[C@H](C)C1 1722698794 MJRKCVMGVKMXBC-RVKKMQEKSA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 1722725484 MFZFGXYAEIEBAV-UHFFFAOYSA-N 443.495 2.230 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(OC)c1 1722728873 ZHLDYNRLNMKIBI-GOSISDBHSA-N 434.562 2.418 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722736732 GHQRQXIXFTUAMA-CVEARBPZSA-N 432.550 2.085 30 10 IEEE CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1723249436 HCMIBMNTASLAHD-AVRDEDQJSA-N 438.532 2.116 30 10 IEEE C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1723848540 GFVSCKXNNBMVQW-IBGZPJMESA-N 430.560 2.412 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1ccco1 1727001516 HPLUQULGQYFQOQ-KRWDZBQOSA-N 448.531 2.408 30 10 IEEE CCOCc1nnc(N2CCCC[C@@H](SC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1729053358 RVKULIXWOICVCG-RAJOGRCSSA-N 434.566 2.063 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2C)CC1 1730421588 FSTOIDPXVLZRKG-UHFFFAOYSA-N 445.527 2.300 30 10 IEEE COCCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1730612855 ABBNWWMYDQDWDY-BEFAXECRSA-N 426.587 2.081 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1730798903 HQFYKIULHLDERH-OAQYLSRUSA-N 438.532 2.190 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1([S@@](C)=O)CC1 1740658665 LYOKGJFXYYJXCZ-SSEXGKCCSA-N 426.542 2.240 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-c3nc[nH]n3)cc2)C1 1740970885 RTMWJQKJNWUJCR-SFHVURJKSA-N 436.520 2.031 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740988964 VJVMRCCOTCLLPT-QFBILLFUSA-N 429.546 2.421 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)[C@H](C)C1 1741055706 PMFOPHBEVKGPHU-DYESRHJHSA-N 436.516 2.131 30 10 IEEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1741831691 FAYDRZBRSPFDJV-YJBOKZPZSA-N 444.923 2.364 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccco1 1747730221 FWZMLAULYQCRLH-UHFFFAOYSA-N 428.456 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1748641413 GQQBIIUOSQCKJW-LSDHHAIUSA-N 425.468 2.168 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1748822187 ZVBPYUNOBOVAJO-OAQYLSRUSA-N 441.601 2.280 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1Cl)N(C)C 1748824691 HZGAGKFCUBWZAF-IBGZPJMESA-N 426.952 2.445 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1748825463 ZLCCMRGTPHVOCH-OAQYLSRUSA-N 445.445 2.037 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOC(C)(C)C 1748887217 XXSJFUMHIFWIJE-UHFFFAOYSA-N 432.528 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(O)(CC)CC)CC1 1749003652 QSTCZTQQWJUQON-UHFFFAOYSA-N 434.544 2.334 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(SC)c2)CC1 1749329982 WYEAIFCYIULWBS-CQSZACIVSA-N 436.607 2.456 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749427297 OKAGKSSGFMMNAY-QGZVFWFLSA-N 425.599 2.437 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749447624 JDMPCRZSSQEWSX-OAQYLSRUSA-N 426.477 2.162 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1NC(=O)CC1(C)C 1749599849 NAHXWCMYTFZBEV-MOPGFXCFSA-N 441.532 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749656013 XHFANVJIDOLPMU-QGZVFWFLSA-N 428.924 2.102 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCCOCC(F)F)cc1 1750381946 LRXCWCIMQDGLIT-IAGOWNOFSA-N 430.459 2.203 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1750554398 YRTRTHGLOJRSJM-GOSISDBHSA-N 440.548 2.241 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1760260519 VXYGUFGLJYACMA-FGZHOGPDSA-N 449.603 2.068 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760280843 VKNSWRZECPQFCR-QGZVFWFLSA-N 433.603 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1760334392 JVDFMJJHRGXHAA-JXFKEZNVSA-N 442.520 2.353 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760345630 KXQQIJQEYGMCBF-JBACZVJFSA-N 430.597 2.475 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1)C1CC1 1760476768 GCTJLPAVBFQQRU-HXUWFJFHSA-N 445.589 2.317 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1767796474 GGKRFAZKDQOPHK-UHFFFAOYSA-N 436.545 2.126 30 10 IEEE CN(C)c1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1768498970 CGFBKGDBLPLQIA-GOSISDBHSA-N 430.516 2.028 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H](C)O1 1769488464 FDKDSEACQXELJD-APWZRJJASA-N 438.532 2.103 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCSCC2)CCO1 1770751303 FSNHSIRNYMKWDV-SFHVURJKSA-N 448.980 2.288 30 10 IEEE FC(F)C(F)(F)CN1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)F)CC1 1771517941 SQNIIGXQUUUJQB-UHFFFAOYSA-N 427.328 2.320 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1849406681 NESJKKKBLHVYNQ-NRFANRHFSA-N 448.564 2.205 30 10 IEEE O=C1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccccc1F 1851526882 ZVSASIJAQZVLMO-GFCCVEGCSA-N 435.399 2.045 30 10 IEEE C=CCN(C(=O)CN1N=C(c2nc(-c3ccc(C)cc3)no2)CCC1=O)c1ncccn1 1852338201 LNSNENWZEPFUNM-UHFFFAOYSA-N 431.456 2.381 30 10 IEEE CCC(=O)N1CC[C@@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)C1 1852397814 CZHKEWHEBJWOPZ-SNVBAGLBSA-N 449.252 2.303 30 10 IEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852456199 QARXXSGTCQKEKG-GDBMZVCRSA-N 442.859 2.332 30 10 IEEE Cn1ccnc(N2CCC[C@H](N(C(=O)CC#N)[C@@H]3CCCN(Cc4ccccc4)C3)C2)c1=O 1853487949 NWNCVRWHGAYIPT-YADHBBJMSA-N 448.571 2.156 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)CSC3CCCC3)C2)CC1 1855910436 GRRCUJAZJGYFCO-KRWDZBQOSA-N 427.574 2.126 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862691071 XLSFRVRZDYMBHP-ZMZPIMSZSA-N 428.397 2.268 30 10 IEEE C/C(=C\C(=O)N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 1867073671 CRCPSMVRDVWPKY-STTHAQSSSA-N 440.525 2.355 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1cccc(C)c1 1870355164 KHPVZUVYPZOFIA-UHFFFAOYSA-N 439.556 2.256 30 10 IEEE C=CCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871578790 BYTUCYJWLRCSCF-UHFFFAOYSA-N 446.353 2.374 30 10 IEEE CCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N(CCO)CCO)n1 1871629550 PJEUHKOWOBCTSK-UHFFFAOYSA-N 442.568 2.477 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccn1C 1874436330 WPUSMZBOEKUERO-AQXNZCSYSA-N 439.545 2.104 30 10 IEEE Cc1nccn1Cc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889547661 VOUKMXMXBLIHGK-UHFFFAOYSA-N 449.599 2.112 30 10 IEEE C#CCOC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1891675336 ZXWXVGJDLSMVPF-SFHVURJKSA-N 444.475 2.499 30 10 IEEE CC#CCN(CC(=O)Nc1nccnc1I)C(=O)OC(C)(C)C 1900638929 YLAMGGRPVFHUAD-UHFFFAOYSA-N 430.246 2.280 30 10 IEEE C=CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)C(=O)OC(C)(C)C 1985006541 FEJCMJVUVHRQDW-HOTGVXAUSA-N 427.542 2.144 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2010145726 LRHVUUWNZUHZPJ-MRXNPFEDSA-N 439.553 2.171 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2c2nncs2)cc2c1OCO2 2033815741 QNYJMGHIYYDLTN-HNNXBMFYSA-N 438.421 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2057952821 JCSZNSBQNXWGGL-ZVZYQTTQSA-N 434.342 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)O2)C1 2084592771 FSXJHZOTQOECJZ-UXHICEINSA-N 440.544 2.391 30 10 IEEE C#CCn1ncc(N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2105974165 JGUBVVGOYZIXNC-OYHSWFHJSA-N 429.290 2.446 30 10 IEEE N#Cc1c(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)sc2c1CCNC2 2145922609 JDWFNTZPZOVVNQ-UHFFFAOYSA-N 444.538 2.084 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243419327 WOIVWDJJMKZTQA-VXGBXAGGSA-N 425.360 2.474 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396965 GYXXDIJVMZAXKY-UHFFFAOYSA-N 435.315 2.187 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2COC[C@H]21 2255343467 XELBFURNLSHBOJ-OAGGEKHMSA-N 432.326 2.394 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCO1 2255379505 MWHDPXOTSSPJRO-JKSUJKDBSA-N 433.358 2.499 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)co2)OC1(C)C 2256926899 GJDHDXPQJMFRJQ-QGZVFWFLSA-N 429.278 2.369 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256935647 NWDRQQARDKFDCO-DZGCQCFKSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1cc(B3OC(C)(C)C(C)(C)O3)ccn1)CCO2 2260144320 KIDXPZDIRLFNDA-UHFFFAOYSA-N 431.342 2.207 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267132572 RFXSVQUMXNNTJM-IEBWSBKVSA-N 438.381 2.217 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267136028 CJVKROYRWHIAQN-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCCC1(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267187744 CLCCUHJRKYUMDQ-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267284057 XESPPPGBRQTMBR-UHFFFAOYSA-N 447.301 2.016 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 2267491034 XAHIDPBIQGZAQO-DEOSSOPVSA-N 438.381 2.361 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267507358 MZQDSWJUVNXSMR-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2269702391 GTLRLLDOBIYCKS-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE COc1ccccc1[C@H]1C(=C(O)c2ccc3c(c2)OCCO3)C(=O)C(=O)N1CCN(C)C 2296933379 IPKUMHKOJARVEQ-NRFANRHFSA-N 438.480 2.450 30 10 IEEE Cn1ncc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1I 2303108383 HLFYJBHLVZDLTQ-JTQLQIEISA-N 431.083 2.333 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2312860713 QACBFCMORCOPFK-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CN(C)c1ncc(C=Nn2c(SCc3ccc(Br)cc3)nncc2=O)cn1 2321647221 FQIORSRQHGFYSB-UHFFFAOYSA-N 446.334 2.431 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccc(O)c2)o1 2330761595 WWHLSUDUIDAFCO-UHFFFAOYSA-N 429.458 2.174 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(O)cc1 2330772899 LCUGGGJYIARWFV-UHFFFAOYSA-N 430.534 2.043 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 2337293245 ZWYJDWNWLOUFJG-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE N#CC1(NC(=O)COC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)CCCCC1 11652987 SDSXBEQQWCTSAX-UHFFFAOYSA-N 428.514 2.292 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 29991010 XLAXXDSNWQAUSJ-HNNXBMFYSA-N 438.575 2.488 30 10 IEEE CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c(C#N)c1C 59044131 YVXWAFIQQJTRMK-UHFFFAOYSA-N 443.514 2.203 30 10 IEEE COc1cc(/C=N\N(CC(=O)O)CC(=O)O)cc([N+](=O)[O-])c1OCc1ccccc1C 169880828 DSZCRSPCIHUQMJ-NKVSQWTQSA-N 431.401 2.296 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3(C(=O)Nc4ccccc4)CC3)C2=O)cc1 426405004 PIXOCZYLRVZXSS-GOSISDBHSA-N 431.452 2.051 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 433858495 JTZJELVDTXPGNV-GFCCVEGCSA-N 447.314 2.398 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)CC1 435785216 AYASYCXHCPTNPH-KSEOMHKRSA-N 436.537 2.303 30 10 IEEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)NC[C@H]3COc4ccccc4O3)c2c1 441824669 SZELSFCHTLFQDD-INIZCTEOSA-N 435.436 2.459 30 10 IEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1)[C@@H]1CCOC1 461092540 WRYKPOQBIMMWTC-UYAOXDASSA-N 427.505 2.149 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1C#N 489083314 YNMRJSARKTZQBP-UHFFFAOYSA-N 446.554 2.188 30 10 IEEE CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 490506133 VQROCNPKJCLHPJ-UXHICEINSA-N 440.997 2.341 30 10 IEEE Cn1ncc(I)c1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 498220911 DNVQSPABGXAOED-UHFFFAOYSA-N 449.296 2.313 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 501856421 OZOKNXWXUBQTMJ-FQEVSTJZSA-N 433.555 2.051 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 505378546 YMEVKPMSKXAQPI-UHFFFAOYSA-N 430.505 2.023 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 505626797 XJLRVWFYLIVGGI-CALCHBBNSA-N 439.516 2.215 30 10 IEEE CCCS(=O)(=O)N1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 508199487 MZBKCHBWCLPATF-UHFFFAOYSA-N 434.562 2.315 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1-c1ccccc1C 517921319 HYRIGSRTQQTXOU-UHFFFAOYSA-N 445.544 2.170 30 10 IEEE CN(C)c1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 526909830 CXGWFAQOUDVRJY-UHFFFAOYSA-N 426.542 2.090 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCN(c2ccccc2)C1=O 538268575 KICCCCSTARMYNP-PMACEKPBSA-N 437.569 2.194 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc21 545406308 HRISVPMNVYSLFV-AWEZNQCLSA-N 426.498 2.163 30 10 IEEE N#Cc1cccc(-c2csc(NC(=O)C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)n2)c1 559052480 SXQHHSOOFNFMCR-AEFFLSMTSA-N 440.525 2.304 30 10 IEEE CC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccccc1OCC(=O)N(C)C 585721170 RRJNWVWLWXGYIY-LJQANCHMSA-N 440.475 2.048 30 10 IEEE N#Cc1cncc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)O)c1 589542868 ADAVAAAEWPZKSN-INIZCTEOSA-N 449.286 2.171 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 590292317 JCAQVXVENNMWLS-CYBMUJFWSA-N 436.455 2.234 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669808716 CJGASRAQSFMGRV-QYZOEREBSA-N 431.562 2.227 30 10 IEEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730140299 FKEZLIHZPCKADH-MRXNPFEDSA-N 426.970 2.376 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CCC(=O)N2C)cc1 744144711 VTQFBSYJHIMWLK-NQIIRXRSSA-N 441.509 2.290 30 10 IEEE C=CCn1c(-c2ccco2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747832856 PFQSHDFYHRKELJ-DARAHFNDSA-N 432.502 2.243 30 10 IEEE C#CCN(CC#C)C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 752148982 SCTWMOLFPQYOOU-LJQANCHMSA-N 436.537 2.208 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@]1(C)CCCO1 756078873 OHOXFGBILRJJOZ-GCJKJVERSA-N 448.589 2.264 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 758574686 BPTJPBYPDVGDIJ-DZKIICNBSA-N 434.928 2.372 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccnn2)C1=O 766420513 SGRPVJPRNHGREU-QGZVFWFLSA-N 446.964 2.330 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CCN(C)CC1 772904413 LUKXDWPGQMJYAJ-UHFFFAOYSA-N 446.576 2.453 30 10 IEEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 774047304 GDQSKZOZSHDVSC-LJQANCHMSA-N 446.550 2.315 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 787057466 FIFCKQCJNQBOEC-UYAOXDASSA-N 434.452 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)CNc3ccc(C#N)cn3)CC2)CC1 794991446 IMLPKCVHQRCLGV-UHFFFAOYSA-N 442.564 2.345 30 10 IEEE COc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1C#N 799379936 SXAFVLCIQQUHSW-UHFFFAOYSA-N 440.884 2.137 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NCCOc1ccc(I)cc1 800871887 KAUNVEPVWJRWIT-UHFFFAOYSA-N 443.266 2.301 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCC(=O)c3ccc(C)c(C)c3)CC2)o1 915382750 XNTIILLAJWTVKK-UHFFFAOYSA-N 438.484 2.326 30 10 IEEE C=C(C)CN/C(S)=C(/C(O)=c1cc2c(cc1F)=NC(=O)CC2)[n+]1ccc(CC)cc1 917609728 JAESTJZWXWKEAP-UHFFFAOYSA-O 426.537 2.356 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)OC3CCCC3)n[nH]2)cc([N+](=O)[O-])c1O 1084014682 OICVJJXUCBVMAB-UHFFFAOYSA-N 436.450 2.451 30 10 IEEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n2)o1 1084593486 OGFARTASJPBROL-UHFFFAOYSA-N 445.465 2.074 30 10 IEEE COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1C 1127752914 BOCNYVVDHJTXOG-HNNXBMFYSA-N 445.472 2.455 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1Cc1ccccc1 1129829346 WPLXJHDDMFLSAP-SFHVURJKSA-N 426.542 2.225 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1136427631 STXVQIIONUXZRY-KURKYZTESA-N 444.594 2.431 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1138181589 XEGZUTYSAMVMKR-NRFANRHFSA-N 435.505 2.281 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CNC(=O)c3ccccc32)nn(-c2ccc(F)cc2)c1N 1141569364 GRWRPXZBAOCXSC-LJQANCHMSA-N 432.459 2.041 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 1142710808 QGSYFXFQVDICBG-LCPUNJGISA-N 425.876 2.454 30 10 IEEE CN1C(=O)NCC12CCN(C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)CC2 1142792887 CANGRPGRDIVAAF-UHFFFAOYSA-N 437.460 2.002 30 10 IEEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1146220774 KWKRWAKMKVPKLC-MJGOQNOKSA-N 430.530 2.043 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3cc(C)cc(F)c3C#N)CC2)cc1[N+](=O)[O-] 1161924567 XLNDFHGBLKRCBF-UHFFFAOYSA-N 434.449 2.434 30 10 IEEE C#CCN(Cc1ccccc1)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1170093504 ASRAHJWLYFFENT-OAQYLSRUSA-N 439.581 2.352 30 10 IEEE C=CCCC[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1177960123 ZFYJBVXQGMOYPI-IRXDYDNUSA-N 435.546 2.154 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1286286975 CJIRRQOFRMZUNT-AWEZNQCLSA-N 432.322 2.024 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286346663 BLLLGGLFCZXRNN-NHCUHLMSSA-N 436.560 2.282 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCCC1 1286369370 NSZVBYKKBVOWRI-FQEVSTJZSA-N 433.560 2.382 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)CC1 1286485696 VEBODDGZANFYOH-KZNAEPCWSA-N 437.535 2.376 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](COCC)C1 1286790503 SXTAZCQDINYTQU-SFHVURJKSA-N 437.548 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)C(C)(C)C1 1286819585 OZJXJPQTYZZNHW-OAHLLOKOSA-N 449.577 2.479 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1cccc(C(F)(F)F)c1 1289436267 LSKMUZZHDXETGE-KBXCAEBGSA-N 438.431 2.210 30 10 IEEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1290053677 JHOFDNGTHDMRFP-UHFFFAOYSA-N 439.356 2.395 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1291052596 VVJNYJXZNZALPC-SJORKVTESA-N 446.577 2.293 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1291826147 FSLXUKFQJMTUJO-QAPCUYQASA-N 430.484 2.030 30 10 IEEE CCc1nnc(N(C)CCOc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1292868145 WTEQMZDRVFWDBS-FMQUCBEESA-N 428.468 2.021 30 10 IEEE CCCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294909263 XULNIIFPXBLDQM-UHFFFAOYSA-N 449.490 2.069 30 10 IEEE CCOCc1nnc(N(C)Cc2cc(C)cs2)n1CCN/C(O)=C1/N=CC=CC1=O 1297052952 HRGPRDLOBHRXRQ-HNENSFHCSA-N 430.534 2.347 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)c1ccc(Br)cc1 1298539295 RECLJOHMJCPMOO-OAHLLOKOSA-N 443.269 2.496 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCSC2)C1=O 1298878959 QQVZDYGFXGHOHH-IERDGZPVSA-N 426.546 2.149 30 10 IEEE C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)n1cnc(C#N)n1 1300154749 UGRWZVJBWQQKSP-YYIAUSFCSA-N 432.525 2.164 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300373417 YMCOOYRKTZFAJH-SFHVURJKSA-N 429.496 2.141 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1300496046 NFHQHBLFCNGSTF-SJORKVTESA-N 438.619 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1300718764 XAGYQVCTRVVROL-GOSISDBHSA-N 445.571 2.265 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301040648 IBARSIBTIQRYOY-ROUUACIJSA-N 436.988 2.058 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1301261992 NOHJQESLXJEJSZ-FQEVSTJZSA-N 426.565 2.330 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301507176 YUXRYEJVLMMYJW-FQEVSTJZSA-N 438.576 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(C(=O)N(C)C)CCCC2)C1 1301552903 AMNAEBAXADOXGK-KRWDZBQOSA-N 425.537 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCCC2)CC1 1301585991 PBDKPLJRLFTGTK-UHFFFAOYSA-N 444.605 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2C(C)C)nnc1[C@]1(OCC)CCOC1 1301596747 XNNZAGRKAMYYRW-XLIONFOSSA-N 426.583 2.156 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(NC(C)=O)c1 1302029632 PSHXJWOJCSLZRV-BTYIYWSLSA-N 430.484 2.451 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1302487965 MOCPNOSJXJZFQC-KDOFPFPSSA-N 437.342 2.182 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 1302710977 SSKFIRXHTICNKK-UHFFFAOYSA-N 427.482 2.208 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCOCCCO)cc1 1302989493 MHGSEHYCVRCWBU-NRFANRHFSA-N 425.533 2.469 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)C1 1312469327 KQFWPYNCLJRNNJ-AYMMHLMVSA-N 432.496 2.255 30 10 IEEE COC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1315130047 GEGRWRZUYUJPNX-UHFFFAOYSA-N 439.564 2.430 30 10 IEEE COc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 1315518964 FNMXSIJESACHMX-BBWFWOEESA-N 447.561 2.395 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C[C@@H](C)O1 1315929721 DGTZQLSCEZLZDV-OXQOHEQNSA-N 438.532 2.116 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)cc1 1316531267 RAGQLQPCXQBYQQ-NZQKXSOJSA-N 437.523 2.496 30 10 IEEE C=CCCn1cc(C(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nn1 1351884372 OOCDTCGARROHOM-UHFFFAOYSA-N 437.504 2.050 30 10 IEEE N#Cc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1Br 1352746620 GSMBVIKKAPWXHD-UONOGXRCSA-N 427.320 2.129 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1359039442 JIEWLIIAIUVQLE-RTBURBONSA-N 446.596 2.434 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1359301727 JFABLLLKKGINRC-UHFFFAOYSA-N 449.559 2.098 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359343366 RMWOQZNMUYRVEX-VQIMIIECSA-N 426.608 2.106 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1359455373 NXTXVFPAPCEMPE-MRXNPFEDSA-N 447.337 2.271 30 10 IEEE CC(=O)Nc1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1448617718 AZSNBPFJWGWAGO-JQHMZKTJSA-N 427.505 2.443 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CC[C@](O)(CC#N)C1)C2 1452255030 XGJJWNQCEVWKGK-OPAMFIHVSA-N 431.489 2.247 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc([Si](C)(C)C)cc1 1453577091 QUSXPECJDVTUGQ-MRXNPFEDSA-N 429.618 2.129 30 10 IEEE CSCC[C@H](NC(N)=O)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456597378 WJUQKQUBTQVZOR-FXQIFTODSA-N 443.360 2.406 30 10 IEEE CC1CC(n2nnc3c2CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC3)C1 1469730644 XMBKYLIBCAZHBY-KXJMLMMSSA-N 429.525 2.076 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCCN1CCCC1 1499140949 JPCIYKWUBOQWLU-UHFFFAOYSA-N 439.612 2.347 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1503701450 AEMIBTQOEBAIRM-QFBILLFUSA-N 440.548 2.362 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C1CC1)N(C)C 1507620560 INNAAZDFDRBKNG-HSZRJFAPSA-N 435.620 2.052 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630082 ZJQWYLFLEBPUNY-RYQLBKOJSA-N 432.546 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)c(O)c2)CC1 1507733531 BQQHZSRUOHWNIO-UHFFFAOYSA-N 425.533 2.304 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCOC1 1507772722 SZEMFRLMQOJABI-DHIUTWEWSA-N 426.517 2.399 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507835895 PMAKAWNBQQIIIQ-KRWDZBQOSA-N 448.568 2.210 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1507897169 NLPVDMAJMRIDFI-JYJNAYRXSA-N 425.599 2.494 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OC)C1 1507957347 GPAFDPPOOFMJLN-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CCC(N)=O)CC3)n2Cc2ccc(C#N)o2)n1 1511698891 NXYMTPFSVQBTIG-UHFFFAOYSA-N 436.520 2.135 30 10 IEEE C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1512313805 DPKBGABQXPXAIX-YUMLTWSLSA-N 428.537 2.181 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CCO1 1512496261 DGOXSDHGNFZLCF-INIZCTEOSA-N 436.520 2.349 30 10 IEEE CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1513523755 RRJGKESSXFUIJW-UHFFFAOYSA-N 446.559 2.408 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)s1 1513776049 BVIXRNQLLLHODK-CQSZACIVSA-N 425.518 2.416 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)s1 1513776863 MLXUZEOBNKRJNQ-UHFFFAOYSA-N 445.574 2.150 30 10 IEEE COC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1518730552 FCQCTAOFKLVSPQ-YWZLYKJASA-N 432.550 2.061 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)[C@H]1c1cccnc1 1526859638 ZTUMACLPNUHYSC-MOPGFXCFSA-N 432.402 2.443 30 10 IEEE C=CCn1cc(C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)OC)nn1 1527829727 SPLODONGTDMVQR-CQSZACIVSA-N 432.278 2.222 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1529533467 DOAIXBKKQSFWAQ-LIRRHRJNSA-N 433.530 2.292 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1539104843 QFOJWDPOHQVIKF-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1539225887 RXCFXGCJUUPIDJ-ZHALLVOQSA-N 431.537 2.029 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCOC2)CC1 1539474417 QFFJYSRYEFJCOJ-INIZCTEOSA-N 442.951 2.386 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1539651035 YATGDIVHXVDUQY-INIZCTEOSA-N 431.566 2.181 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C2CCCC2)CC1 1539757920 DGKFEAJVSQBGQK-UHFFFAOYSA-N 430.597 2.448 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1)C1CC1 1540108156 HABWBVPZRKHCEU-SFHVURJKSA-N 443.573 2.085 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1540133896 PCOQICXDCADIOX-RBUKOAKNSA-N 443.523 2.386 30 10 IEEE C=CCn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861069 AHGAIRAATASXDO-VGOFRKELSA-N 445.568 2.333 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1540870838 YCSLZDWDIGABEB-UHFFFAOYSA-N 442.951 2.464 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCSC1 1555663779 NGCLTURWHBQWMT-ZIFCJYIRSA-N 434.610 2.322 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(C)COC1 1555674578 UOUBNOMYTGORIQ-PXNSSMCTSA-N 441.532 2.488 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@](C)(C#N)C1 1555687819 OMWASVLNEXEOHP-PGRDOPGGSA-N 426.521 2.381 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccncc1Br 1558215331 STOFYHPQYKKFKO-NEPJUHHUSA-N 437.319 2.260 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3c4ccccc4CC[C@H]3O)CC2)cc1 1558539171 NRXQFCDJFHOGCS-YADHBBJMSA-N 439.537 2.124 30 10 IEEE CC[C@H](O)Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1558634264 YRHZFYCFLFELGU-XHNCKOQMSA-N 436.303 2.292 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(C)(N4CCOCC4)CC3)ccc2c1=O 1559023760 ICLKFXWWHXPTPM-UHFFFAOYSA-N 428.558 2.198 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN([C@@H](C#N)c4ccccc4)CC3)OC2=O)C1 1559613644 CJOGLGIKOHRYIZ-UXHICEINSA-N 440.544 2.421 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)CCC1 1559807052 QKSXPICYINOOKC-HXUWFJFHSA-N 435.590 2.403 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2C(=O)OC)s1 1566102400 BSUNRKTYKMVLOG-IBGZPJMESA-N 434.539 2.054 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CCC)C1 1587615447 VECLQBMFDXTDJP-QZTJIDSGSA-N 443.621 2.428 30 10 IEEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)c(F)c1 1587915356 JTZAWRFTMRJBJU-KRWDZBQOSA-N 431.512 2.096 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(C)CN(C)C1=O 1588084292 PHQQXCYRSONYDE-MHECFPHRSA-N 435.528 2.368 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 1588115047 LIKOOYZCOKSTEY-MRXNPFEDSA-N 434.537 2.054 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC(F)F)c1 1588224313 WCVVHMBDUPKGRX-MRXNPFEDSA-N 443.454 2.350 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588433362 OXBLEQNPWFSXII-UHFFFAOYSA-N 442.564 2.427 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1589296195 PPCYOLBRGHALTF-RRFJBIMHSA-N 442.358 2.158 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(C)(=O)=O 1594913722 MYZFWNDDIUIREF-UHFFFAOYSA-N 446.346 2.408 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1595461261 RNVSUGIEUZSEFR-KZNAEPCWSA-N 437.610 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595506695 JQARIEUFMZREOA-NRFANRHFSA-N 446.939 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1595788958 LVSQTCNFZLGHKF-UHFFFAOYSA-N 437.953 2.485 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1596428866 BBLGKRDZTLYSLW-QPHCHLROSA-N 440.573 2.223 30 10 IEEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1=O 1615828166 PMROLDNJYUXZBE-KRWDZBQOSA-N 430.459 2.300 30 10 IEEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1 1617170632 CIENXHDPCVAOHL-UHFFFAOYSA-N 446.577 2.362 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1620351582 DXBDSPDSZIVDCI-OAHLLOKOSA-N 430.490 2.028 30 10 IEEE CCN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O)[C@@H](C)C#N 1620448531 LAHIHOGKFMFYKH-DZBQEORWSA-N 446.529 2.090 30 10 IEEE CCN1C(=O)c2ccc(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)cc2S1(=O)=O 1624730427 GNXZNVWDQPYHJV-UHFFFAOYSA-N 435.465 2.220 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccccc3NS(C)(=O)=O)n[nH]2)c1C 1625617813 FDRMVMKDALNDDK-UHFFFAOYSA-N 428.518 2.378 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)/C=C\C(=O)c2ccc(C)cc2)ccc1OC 1626631610 JJGYKOGMOBBSPZ-LUAWRHEFSA-N 432.498 2.306 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)c1 1629690064 MMQKGIJHQSBVSA-HXUWFJFHSA-N 439.581 2.424 30 10 IEEE Cc1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 1633466177 STUZGQPOSFGLHW-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1636913781 HXZFMXFVQAAOPO-OALUTQOASA-N 443.500 2.183 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nnc2c(=O)[nH]ccn12 1638501223 HCSHBPLSPUUSJK-UHFFFAOYSA-N 435.257 2.217 30 10 IEEE C#CCN(CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1641003040 VXHDOBOSMQZHFB-OAHLLOKOSA-N 439.434 2.493 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(c3nnnn3C)CC2)n(-c2ccc(F)cc2)c1C 1644394927 BBKSRWPDDLGZID-UHFFFAOYSA-N 436.495 2.447 30 10 IEEE Cn1c(CCC(=O)N2CCC[C@H](C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1645042488 CWCMGGYBWRXWPB-QGZVFWFLSA-N 443.573 2.443 30 10 IEEE C#CCN1CCN(C(=O)CN2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)CC1 1647643031 NIJQVDXAKMBXCA-HXUWFJFHSA-N 426.561 2.110 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(c3ccc(Br)cc3)CC2)c1 1651211606 CJSANUGGWHYDRS-UHFFFAOYSA-N 448.342 2.447 30 10 IEEE CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)Cc1cc(C#N)cs1 1656279606 NYVITSKBXZVBLZ-OAQYLSRUSA-N 425.514 2.026 30 10 IEEE C=C(C)COCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1680166919 FOXUKOIFSPGOOL-SFHVURJKSA-N 440.585 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCCC1=O 1689840189 UPNPSDREDRNQIP-GOSISDBHSA-N 447.547 2.171 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CC(=O)N(CCOC)C1 1689861419 VDLVJMKFCYJIFR-RTBURBONSA-N 434.544 2.234 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1689898116 SHIRWMGTCZOZRZ-UHFFFAOYSA-N 445.589 2.199 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1689941351 NGDOMZNDUJWNOF-KURKYZTESA-N 442.564 2.478 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)CC 1689974024 ZABGRFQSOQQUHW-UHFFFAOYSA-N 441.351 2.124 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1689975443 XATAEIOYCHDATR-LJQANCHMSA-N 428.556 2.339 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)CN2CCCC2)CC1 1690114803 HZCCTTNARUXXRG-LJQANCHMSA-N 437.548 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccco2)CC1 1690148734 ROSSJXVCCWVBOD-UHFFFAOYSA-N 433.512 2.485 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1690154720 XLTVMDNACCLFBA-GBESFXJTSA-N 430.622 2.093 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1690585977 BUFWYXGWBSPXNT-IIBYNOLFSA-N 432.546 2.067 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690672967 JPLYDRDMCGEKRG-NRFANRHFSA-N 448.527 2.153 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(=O)OC(C)(C)C 1692518080 IMDWTGBEWHNWTR-UHFFFAOYSA-N 433.557 2.461 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1692856471 CLMRBYOJOVSBFT-SFTDATJTSA-N 427.484 2.309 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CCOC(C)(C)C)CC2)c1C#N 1693405665 CELFSPPALKCQKT-UHFFFAOYSA-N 449.563 2.395 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1696724562 WRVGXCYLTXRRSL-WUKNDPDISA-N 446.943 2.125 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC#N)CC1 1698304356 QOFJMCJHCAITMP-UHFFFAOYSA-N 432.506 2.418 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)N2CCOCC2)CC1 1698488242 FGHYQBFMAQEQSI-UHFFFAOYSA-N 446.458 2.145 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705539828 DMDQBFGJIBEBEI-QZTJIDSGSA-N 437.610 2.082 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705563565 ZZUOPBSHEVOWFM-DENIHFKCSA-N 430.574 2.295 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(C)COCCO1 1705630394 RUYOHDABOJGZNW-HSZRJFAPSA-N 428.533 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=C)Cl)CC1 1705645437 UKSRIBVAEIRHFD-OAQYLSRUSA-N 435.956 2.037 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705681770 DKVBVZFPYYNAHD-HNNXBMFYSA-N 425.375 2.018 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705684762 AVJOWBZJGQUKJL-ZDUSSCGKSA-N 426.340 2.180 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CC2)CC1 1705778447 WVMVKBHMYLGNEY-UHFFFAOYSA-N 431.562 2.123 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705807870 QVFKRQLLOWKBDE-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1705853506 AGJSJEYUASCXMD-UHFFFAOYSA-N 427.640 2.400 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1705910209 VJSJOPKYIDCNQS-GOSISDBHSA-N 441.532 2.419 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nnc(C)s2)C1 1705916708 MWQNPGJFQOBBOR-OXQOHEQNSA-N 434.566 2.308 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1706044199 HXRMOAQBFPXLJC-UHFFFAOYSA-N 432.532 2.260 30 10 IEEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)n1 1707840481 HPUXTSIALLGQSQ-GOSISDBHSA-N 432.532 2.387 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1708338790 CJOXKCOIZDFSEK-VQPPSCEASA-N 429.521 2.488 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 1710266359 RVWBOCQCYFSNJG-VAMGGRTRSA-N 437.592 2.456 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1712705391 POLXLUPRQVHNLM-RZDIXWSQSA-N 432.525 2.037 30 10 IEEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CCCCn2cc(Br)cn2)CCO1 1712883955 CUKJBWULTQAJJF-INIZCTEOSA-N 434.342 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1722278184 PDTVYUVHSNFWHO-HNAYVOBHSA-N 432.546 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1722296908 VVTNEXTULZWZLV-DNVCBOLYSA-N 430.530 2.073 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722341304 CZRPNSNUXZWIKI-OALUTQOASA-N 433.553 2.330 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCC(F)(F)C1 1722429913 XJUVNXIPVAFGCQ-IRXDYDNUSA-N 444.548 2.482 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722537593 OSNNTKWGKBUNNN-JLHGSKIFSA-N 433.553 2.478 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(CCC)CC2)CC1 1722573946 DHCOJPVZHHRYAX-QGZVFWFLSA-N 438.642 2.413 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722622989 XDBVEFGZBISKTC-SVFBPWRDSA-N 432.613 2.373 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1722681378 KVQXFWLFISJASH-OAHLLOKOSA-N 437.566 2.153 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1722688331 BSLKSGSYWYNGLW-AUSIDOKSSA-N 425.533 2.118 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2c(C)cccc2C)C1 1722708994 HOPJDUHKQUVBJE-SFHVURJKSA-N 440.548 2.453 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1723422211 VVILYACECRBFGU-DLBZAZTESA-N 444.536 2.312 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1727229620 GKPTVYVAZHJTLY-LYHRCORUSA-N 445.612 2.436 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)SC)CCN2C1=O 1728528207 YZHFSCJMQQUOBH-PBHICJAKSA-N 439.545 2.041 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2CCOC2)c1 1730995293 VEMKIAJLCIACDL-MGPUTAFESA-N 433.509 2.217 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C[C@@H]1O 1731139958 HZYDODQIXDMJGZ-BEFAXECRSA-N 441.923 2.486 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1731147367 GJKICMBAVFAYCF-RHSMWYFYSA-N 439.520 2.042 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740585166 WGEOCQCHKURGTI-UHFFFAOYSA-N 443.983 2.397 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCN(C(C)C)CC1 1740604091 QEGDGKZDWZBMPK-UHFFFAOYSA-N 425.533 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C(C)C 1740646958 GFRBPHWXUATURL-JOCHJYFZSA-N 428.558 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc(COC)n1 1740660844 GFKYHOQWJUNDCD-LPHOPBHVSA-N 429.546 2.116 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NCC 1740676728 LAIYPDPXYXKCLE-SFHVURJKSA-N 440.523 2.170 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCn2ccnc2C)CC1 1740698451 GIMROYLYABSDJD-UHFFFAOYSA-N 433.560 2.250 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 1740733968 ULQXBJDCGQQEKY-HXUWFJFHSA-N 433.603 2.451 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740842667 HVUQMNMJMRWFLH-HOTGVXAUSA-N 425.599 2.374 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740844405 IQWONYYOOQPBAZ-KRWDZBQOSA-N 442.951 2.348 30 10 IEEE C=CCCOCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1740888702 RUDZWZZYCXIOAX-AZUAARDMSA-N 432.613 2.157 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740890931 MIBSQTRUZMOIHF-ZACQAIPSSA-N 426.631 2.267 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1740947448 ZNNNEDALFPSWKO-SFHVURJKSA-N 431.562 2.259 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)CN(C)C1=O 1741516570 UYAPDPZYPLQKCJ-JOCHJYFZSA-N 441.536 2.250 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCC2)CC1 1741634348 ZNKLDXXSRCQIJQ-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNc1ccc(C(F)(F)F)cn1 1747222406 ZFMCFEMPIIQQJM-OAHLLOKOSA-N 439.442 2.459 30 10 IEEE C#CCN(c1nnc(C)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804365 GJYLBSGSLXWYPX-RXVVDRJESA-N 429.590 2.124 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748823893 DVTKDSNOJUZGDJ-AUVQFFENSA-N 426.542 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748948266 KBCSCFZYVCBRAA-SFHVURJKSA-N 426.565 2.330 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749106666 HTJOXMDPCXTTRA-CQSZACIVSA-N 437.367 2.353 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749175109 HMGAQBCDRBDKIM-XGIGFIBQSA-N 436.516 2.395 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1749243874 ABLPEKZHDIAGGZ-RYRKJORJSA-N 431.562 2.200 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749251876 LJFURJGVMJOHDQ-SJORKVTESA-N 427.977 2.444 30 10 IEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)CCOCC1 1749409870 CHFFUWMCMWSFCB-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1749659219 YLELHVHVVFYNLR-UHFFFAOYSA-N 440.548 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1749735397 RTNXCYLHMZIQTC-UHFFFAOYSA-N 447.605 2.413 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1749951199 PITXEYNGEWEUTO-LKUPVBHCSA-N 438.532 2.259 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1749971652 LWTQPWLWBQEWDX-OXQOHEQNSA-N 441.598 2.345 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1750100484 JIUQUOMSEDSQJH-BSRJHKFKSA-N 441.532 2.252 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCSCC2)CCO1 1750387965 GJVMOIGPHXJFGW-GOSISDBHSA-N 432.981 2.300 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1750914171 FOGHZFZWOZGCLR-LJQANCHMSA-N 432.532 2.383 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760153020 FSKMXRHKIKRUEZ-FQEVSTJZSA-N 434.544 2.350 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cn[nH]c1 1760205464 BTCGAGCBNADZGN-UHFFFAOYSA-N 437.548 2.431 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760424197 ZRZSDKROTCYELS-KRWDZBQOSA-N 435.536 2.369 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2(C(=O)N(C)C)CCCC2)n1 1762414232 IBEVPYVYXLAZTG-MRXNPFEDSA-N 426.569 2.384 30 10 IEEE CCN(CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766684550 LYMDZGXBIXRMIQ-QGZVFWFLSA-N 439.564 2.439 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCOC3)n1CCCOC(F)(F)F)C2 1770735926 SAVLWSRPDRTHGB-GFCCVEGCSA-N 438.410 2.243 30 10 IEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)CC1 1770754304 FHIXPPHTFMIJLS-UHFFFAOYSA-N 446.449 2.448 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1770785515 AXDAIJNZJROKCP-RTBURBONSA-N 426.496 2.392 30 10 IEEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1Cl 1772784869 NGDFLDGXKJTVJW-UHFFFAOYSA-N 429.237 2.270 30 10 IEEE COCc1c(C(=O)NCCN2CCC(C#N)CC2)nnn1-c1ccc(C(F)(F)F)cc1 1850671634 ZBUTZVCJRSRFEB-UHFFFAOYSA-N 436.438 2.398 30 10 IEEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)cc1C 1852901687 VGAWDSQGFQLXAF-UHFFFAOYSA-N 445.527 2.438 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@@H](N(C(C)C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1854108788 NXDJTMVYSLGILM-WOJBJXKFSA-N 431.558 2.286 30 10 IEEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1855163578 URHFQJPWSZKQBW-ROUUACIJSA-N 430.574 2.396 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)c(F)c2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734866 YZJBHIUEXDUUSD-LLVKDONJSA-N 437.399 2.037 30 10 IEEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCCN(C4CCSCC4)CC3)CC2=O)cc1 1857267776 JPJPYDCVRLOTMP-LJQANCHMSA-N 426.586 2.450 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(N(C)C)c(C)c2)cc1 1858648690 JAFGOSHKCFKEEC-UHFFFAOYSA-N 430.530 2.165 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862744958 YMCLNYVMSSEKDX-DYZYQPBXSA-N 443.368 2.168 30 10 IEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866869015 XQBHVXHOAGWLKR-RBUKOAKNSA-N 442.541 2.149 30 10 IEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)Cc1ccc(F)cc1 1870105200 GCJXYVJVVCUTPA-UHFFFAOYSA-N 438.375 2.293 30 10 IEEE CCCCCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CN(C)CCO 1870477212 YTWQDOMDOIVGRP-UHFFFAOYSA-N 426.554 2.201 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541907 KHNDIOUIFSVHQA-UHFFFAOYSA-N 441.580 2.408 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2F)CC1=O 1874273627 IMMIZVVDTUDJOM-GMCBVQGUSA-N 436.488 2.130 30 10 IEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCCc3ccccc3)ncnc21 1875229749 DOQUAPFCXZHRRN-UHFFFAOYSA-N 437.544 2.479 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)C2)c1 1890119677 CCKSXCOBXPWGGA-UYAOXDASSA-N 440.525 2.176 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1908271907 GMYULBYSVCMNAQ-SLFFLAALSA-N 428.533 2.153 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022847752 CTZYRNQRNQRHLF-JKSUJKDBSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC1 2124535489 MNSVMXWAPQUMHN-DZFIZOCASA-N 449.401 2.480 30 10 IEEE CC1(C)OB(c2ccnc(-n3ccnc3CCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 2247237401 OZXYATYVZXLIEL-UHFFFAOYSA-N 444.300 2.405 30 10 IEEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255620816 ZSPUEADCWJDGDI-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE Cc1nn(C)c(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626627 IFFLLCQAJYVUOT-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255630260 HZADCVTXZYCXGX-MNOVXSKESA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255635988 OCXBCNDPHVNNLU-KBPBESRZSA-N 449.382 2.381 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255806765 KAPROHVSIUAANK-UMVBOHGHSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255826108 KPDMUMOAQIPNJW-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256890001 DOXCAQYZSYWMAT-JKSUJKDBSA-N 437.321 2.302 30 10 IEEE CC1(C)OB(c2cccc(NC3(C(N)=O)CCN(Cc4ccccc4)CC3)n2)OC1(C)C 2266755022 ANBUZXDKCZMGOU-UHFFFAOYSA-N 436.365 2.313 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2267170766 ZZRCUVBAYRNASI-XLIONFOSSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267193238 BOQAYDCEKJPCTP-QFIPXVFZSA-N 446.357 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267260407 NLGAZMHNASTRMG-QFIPXVFZSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267266416 CNXHXDLCJNVBPG-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267511275 ZTLDYWGCVKBMPO-CABCVRRESA-N 448.373 2.141 30 10 IEEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N2CCO[C@@]3(CCCN(C(=O)C(F)(F)F)C3)C2)OC1(C)C 2267563829 DFXSOOVGCFGGSL-KSMMKXTCSA-N 446.275 2.251 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@](O)([C@H](N)C#Cc2cccc(Br)c2)C1 2278735881 UEVPBFFXPXHJQQ-APWZRJJASA-N 425.323 2.126 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccccc2F)cc1 2296557167 RKSGQGZYWUZBMR-NRFANRHFSA-N 439.487 2.161 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2312859713 NJNBGFYFSLCZMK-IHRRRGAJSA-N 449.382 2.428 30 10 IEEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cc1 20527708 QSSCCYZROMDDOZ-SRZZPIQSSA-N 445.578 2.471 30 10 IEEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 22628882 AKZJJAHWEXAYQM-UHFFFAOYSA-N 426.420 2.364 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc(OC)c1OC 59015910 SVUMRDIMHCKLFG-UFFVCSGVSA-N 443.489 2.402 30 10 IEEE C=CCNC(=O)CN1CCN(c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)CC1 60858541 SSHMXJACZFRVQK-UHFFFAOYSA-N 449.584 2.451 30 10 IEEE COc1cc(C(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1OC 96349926 BWLDPEXAPDGUCR-UHFFFAOYSA-N 425.397 2.350 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccc(Br)cc2)sc(=Cc2ccc(C#N)o2)c1=O 433023934 UPERGYDGFURBMV-UHFFFAOYSA-N 440.278 2.060 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC1 438616358 DPZHSQULCQABML-XUTBLCSISA-N 443.573 2.485 30 10 IEEE CCCc1c(NC(=O)C(=O)N2CCC[C@@H](NC(=O)CC)C2)cnn1-c1cccc(C#N)c1 443722781 JLAZLMFMCUPEBF-QGZVFWFLSA-N 436.516 2.152 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C[C@@H]3CCCO3)c2=O)nc1 446112588 QCIYYRXKRGIEAJ-IBGZPJMESA-N 449.507 2.317 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 460694481 WVIGUXQTTINNCX-FUHWJXTLSA-N 426.521 2.246 30 10 IEEE C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 463190504 DMMLLXITTNXOPO-GCJKJVERSA-N 440.569 2.449 30 10 IEEE Cc1onc(-c2ccccn2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479827052 CPGWMHYCZQHUEB-UHFFFAOYSA-N 437.481 2.063 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CCN(C)CC1 488495531 QTDLMHMEVLULGA-PGRDOPGGSA-N 432.524 2.448 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 502326631 QMFRBFJVHWITMK-SFHVURJKSA-N 425.537 2.374 30 10 IEEE CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 502462271 GAQACLRAQPNNMZ-GOSISDBHSA-N 444.538 2.010 30 10 IEEE C=CCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 505028380 CSJSFCGPMDYJGX-QZTJIDSGSA-N 436.578 2.309 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 508945199 JQXQJDMDJFGWDE-OAHLLOKOSA-N 432.550 2.122 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 524471754 GNUVOIRRWHMJTL-UHFFFAOYSA-N 432.933 2.494 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCCO1 534604394 RJMDNAPRQHKGIE-MRXNPFEDSA-N 439.562 2.284 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 538138368 HNUXRRKADVGODN-UHFFFAOYSA-N 430.530 2.342 30 10 IEEE N#Cc1cccc(N2CCN(Cc3cc(=O)n4cc(Br)ccc4n3)CC2)n1 545505241 PZQNCPZWIDUQMI-UHFFFAOYSA-N 425.290 2.046 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1CCc1ccccc1 549560847 OMFPQCQCZSDXPK-UHFFFAOYSA-N 444.543 2.252 30 10 IEEE CCOC(=O)[C@](C)(NCc1cccc(C(=O)OC)c1C#N)c1ccc(S(C)(=O)=O)cc1 582582787 IZGXFCOQKMHTBK-JOCHJYFZSA-N 444.509 2.316 30 10 IEEE CC1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)CC1 585473178 XXWWPEUPPZUPLY-UHFFFAOYSA-N 426.546 2.095 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CCCN1CCOC 609045656 LOOGZLIZPGKRMF-HNNXBMFYSA-N 440.338 2.325 30 10 IEEE C=C(Br)CS(=O)(=O)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 704594298 ALLZNEHPDPEUGV-GOSISDBHSA-N 428.396 2.117 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccs2)cn1 730143729 DFBFDOAOPQTMBC-INIZCTEOSA-N 447.586 2.351 30 10 IEEE C[C@@H](c1ccccc1Cl)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732466594 PPFLKOCWCLMMBG-CVTQAYBASA-N 431.924 2.255 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)ccc1F 732948196 UEOYZWKFYCSQIA-UHFFFAOYSA-N 427.498 2.029 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1OC 733654381 QGJMETKCBXLGEN-RBUKOAKNSA-N 444.532 2.157 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 744006008 BWPXPZQIFFBMQD-HNNXBMFYSA-N 441.538 2.426 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C3CC3)CC2)cn1 751697831 YASOKKBASQHUMH-QGZVFWFLSA-N 445.589 2.280 30 10 IEEE C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 754404769 YSBUNNOUPDQPEO-DXPKEERLSA-N 431.514 2.398 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC)C(=O)O 757360173 NAAOKQCJIWKBRY-NHCUHLMSSA-N 436.464 2.133 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767749094 JWXVZMOVWDICSX-HVPZLWSFSA-N 449.548 2.435 30 10 IEEE CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 775941930 FGDBFMUSRZCGGI-ZABCRHKISA-N 435.480 2.347 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n([C@@H]3CCOc4ccccc43)c2=O)c(C)n1 781662664 DMPSYMMCJZZMFQ-LJQANCHMSA-N 444.516 2.329 30 10 IEEE C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H](O)c1ccc2c(c1)OCO2 785366910 QNGSBGMEWUFKKC-BTDLBPIBSA-N 439.287 2.450 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2F)C[C@@H](C)O1 789819817 NZGRSOWQKYKNPX-GASCZTMLSA-N 442.466 2.383 30 10 IEEE CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802002637 WNAYMEUKOAXEPP-HSZRJFAPSA-N 448.619 2.101 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 804462018 AXICNWHFCPYKSA-SFHVURJKSA-N 435.521 2.192 30 10 IEEE Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3nccn3S(=O)(=O)N(C)C)cc2)cc1 814737768 LKCLDSNPOIHBCM-UHFFFAOYSA-N 447.542 2.125 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 916164338 XFHJKENMTKPVAB-LJQANCHMSA-N 429.498 2.421 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)c(C)c1 1084361576 UUQJQSQUCULAJG-UHFFFAOYSA-N 426.506 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1125640809 HMRQQHPLDRXKBQ-QFIPXVFZSA-N 432.496 2.372 30 10 IEEE Cn1cc(Br)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1=O 1135983367 UMLKDBWBORQMOM-KRWDZBQOSA-N 433.281 2.310 30 10 IEEE C=CCC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C(=O)OCC 1140925178 BDIFNKHVWGAHBV-HNNXBMFYSA-N 428.489 2.412 30 10 IEEE Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)c(O)cc21 1141698474 GPCBVPPHSDEEGS-GFCCVEGCSA-N 439.859 2.099 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1151151043 DYDMKLLMFBHEQJ-UHFFFAOYSA-N 437.472 2.030 30 10 IEEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccc2C)cc1 1159641447 MHXGXPAUIWOJCL-GOSISDBHSA-N 447.513 2.305 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)s1 1160517917 BVNUSLBYRCLZFP-QGZVFWFLSA-N 425.551 2.313 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3Cc4cccc(C#N)c4C3)CS(=O)(=O)[C@@H]2C1 1164209434 LJUURLASKUPPFZ-BHIYHBOVSA-N 445.541 2.071 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)Cc1cc(C#N)cs1 1198195004 PDKXMKLGZYLUCZ-CYBMUJFWSA-N 436.559 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1212489968 BLVOLYJFSBWMSS-UHFFFAOYSA-N 440.591 2.471 30 10 IEEE CN1CCN(CC2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)CC1 1252506938 GKNYDOVFSYCTMQ-UHFFFAOYSA-N 438.620 2.192 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1286348420 WPTLJWXIQAIWBY-FQEVSTJZSA-N 436.560 2.282 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1286386086 ULQXWJFBSVLPCW-INIZCTEOSA-N 434.537 2.398 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286391914 JTIXZJKQCMNADQ-WMZOPIPTSA-N 446.548 2.464 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1286395647 SKJJXWLNHGRPJT-DLBZAZTESA-N 447.561 2.054 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1286477282 VQEONVSSAIMKQZ-UHFFFAOYSA-N 443.433 2.437 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1286806414 VDDFQJODZUJDPV-FGZHOGPDSA-N 436.560 2.445 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)c1 1289512839 GICQHKHXNWHKDX-SFHVURJKSA-N 426.521 2.071 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C[C@@H](C)S1 1291217457 BOFKRFSZWJPEBZ-HZPDHXFCSA-N 438.561 2.321 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1)OC 1291411165 HFOYASXLNFHMRJ-XLIONFOSSA-N 440.548 2.173 30 10 IEEE C[C@H](Sc1nc(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cs1)C(N)=O 1292821943 BDTSXIGOAIJKJO-LBPRGKRZSA-N 432.527 2.370 30 10 IEEE Cc1nnc(COc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)o1 1293042259 GIZHOIXMEAXCNV-UHFFFAOYSA-N 441.469 2.024 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1295991588 KCKXRFOXJWWIDT-PSMZEYKDSA-N 449.559 2.390 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)C[C@H]1O 1299412586 QXPREBXIIZOYOK-JCHJZTRSSA-N 427.480 2.315 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](c1cccs1)N1CCOCC1 1300428957 VKSJVVRDNCGLTM-SFHVURJKSA-N 444.605 2.401 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N1CCOCC1 1300441446 OOSYCNLBOWAEHG-INIZCTEOSA-N 427.574 2.450 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOC2=O)cc1 1300479899 UMRJZFIKOFULCJ-HKUYNNGSSA-N 425.489 2.076 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1300541159 MTAYXJOVDJLYDP-UHFFFAOYSA-N 429.471 2.168 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(C)C 1300579381 UNHDIMNTHKFPTB-MOPGFXCFSA-N 445.614 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1300596257 VXGIGSUAMFUWAV-UGKGYDQZSA-N 438.528 2.380 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301186495 ANMRWSYGKPUMHN-IRXDYDNUSA-N 428.541 2.060 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1301477958 GDXTZFZXBRBKPM-KRWDZBQOSA-N 429.500 2.243 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCS(=O)(=O)CC2)C1 1301555647 XUGFEFHLTMOZDM-GOSISDBHSA-N 431.562 2.255 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)c1ccccc1 1302097607 MUTOSIHPMOGTBS-QWFCFKBJSA-N 428.537 2.256 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1305349731 UEEZKQSQOQVKSH-OBZTUIKSSA-N 441.532 2.238 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2ccc(I)cc2OC)c1C#N 1306286450 ROIUXHQTEXCCMQ-UHFFFAOYSA-N 439.257 2.299 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1306528491 IDGCFMSBAYDHTG-VXKWHMMOSA-N 443.573 2.383 30 10 IEEE C=CCn1c(SC2CCN(S(C)(=O)=O)CC2)nnc1[C@@H]1COc2ccccc2O1 1307264763 ZTILYWJWBCZRCW-KRWDZBQOSA-N 436.559 2.493 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)N2CCCC[C@@H]2CS1(=O)=O 1307386191 FRUPCGWRXDIZEX-LSDHHAIUSA-N 436.559 2.497 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 1307942419 MDYZSCGNUQRGIQ-RBUKOAKNSA-N 433.597 2.200 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1314548681 NLRZGGGWCHEFHE-ROUUACIJSA-N 428.562 2.238 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1314682802 YXXJAXGZEVTVNU-HNNXBMFYSA-N 425.461 2.069 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1315825009 NHZLKMOZVCUATA-CDMIOBSGSA-N 445.495 2.097 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1cccc(F)c1 1316210027 NKQHKJAGMRBSFC-FCEWJHQRSA-N 433.484 2.337 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1320192696 RRNUQIHQMACFHE-XXBNENTESA-N 433.508 2.303 30 10 IEEE C=CC[C@@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1321048728 MXUPAPSMMSRBHI-SWLSCSKDSA-N 432.336 2.483 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1324281113 GCGQABGGMMOPCY-UHFFFAOYSA-N 442.472 2.487 30 10 IEEE C[C@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1348685337 JFUHVYJGEBUVIR-QGZVFWFLSA-N 433.578 2.101 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1358932787 WDFDSZMKWXXNBN-GHTZIAJQSA-N 440.617 2.333 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1358933233 MOZTYZFNPAUAEC-KRWDZBQOSA-N 430.553 2.260 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358941977 DZVSQCJFBDHRAN-CVEARBPZSA-N 447.630 2.482 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358959627 MLZKTLNWSHFJIT-OAHLLOKOSA-N 443.554 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1358985910 JSMHYOWWVHIWIE-YKSBVNFPSA-N 436.560 2.476 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1359057362 XXAZAAUTRAMHCZ-OAHLLOKOSA-N 431.522 2.095 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1359064229 OHYJDTROXOGQIE-JLTOFOAXSA-N 435.525 2.076 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C)C1 1359130916 AXWUJZIEIKHOHQ-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1359270683 YQYFEXIMHILZKS-GOSISDBHSA-N 449.559 2.091 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359284315 GVAQVCCZFUDIJN-AWEZNQCLSA-N 431.493 2.434 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359341928 KYBBBGCCMZFIJB-OAHLLOKOSA-N 449.650 2.152 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 1446129843 QZLVPHWAJXEMFS-HNNXBMFYSA-N 430.530 2.342 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1449336338 NQAMXYHLYHAHHJ-QWHCGFSZSA-N 445.504 2.175 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1 1460188686 RJKOQSLGJCNZOY-VKVQTHCXSA-N 431.492 2.118 30 10 IEEE COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1460826792 CQZWILPECMRVKU-FGSXEWAUSA-N 449.573 2.174 30 10 IEEE C=C(C)C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1462499860 BYWCGYCCQFMOPL-OAHLLOKOSA-N 437.290 2.449 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)[C@@H]2CCN(c3ccccc3)C2=O)s1 1464957157 PWYTWGQPSSVDTP-GOSISDBHSA-N 447.582 2.409 30 10 IEEE COC[C@]1(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CN(C(=O)OC(C)(C)C)CCO1 1466609282 MOUOZPKELMKPNL-CVDCTZTESA-N 445.516 2.111 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 1476723685 HSHSRTCHOIUWHA-UHFFFAOYSA-N 445.876 2.488 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1507514250 CGMGQKDWWMGAHY-ZQIUZPCESA-N 439.969 2.387 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507592425 RUPFJUDQHODYJI-KSSFIOAISA-N 448.511 2.123 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCO[C@@H]1CCOC1 1507605307 PFKATDUZGGQCOD-GOSISDBHSA-N 431.924 2.127 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C)C1=O 1508036421 ORISTHAHQPERCU-QHCPKHFHSA-N 440.548 2.264 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1508080919 TUCXAQDVDWDHNJ-OAHLLOKOSA-N 440.577 2.384 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508087381 QIKBVTHFPWMPDG-GOSISDBHSA-N 437.523 2.428 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCc3ccccc32)C1 1508109386 QYKNFQKVYOCLHG-MBSDFSHPSA-N 425.533 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508135658 KPYBOPWHPKFFEQ-VQTJNVASSA-N 446.573 2.239 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1508223549 JWTNIHIZNNNATR-VLCRHTCISA-N 448.543 2.019 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1508415593 CHTIXMDJBOLSKO-APWZRJJASA-N 439.589 2.427 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cc(Cl)cn2)CCOC1 1509809590 WRSRDVCHAJZTEJ-RBUKOAKNSA-N 437.907 2.311 30 10 IEEE CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1513284926 GXNVSLAFUAPXMH-OXJNMPFZSA-N 425.585 2.330 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCCCC1=O 1513924136 LEJDARKAQWBULG-UHFFFAOYSA-N 436.564 2.226 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1516381891 JDEPXYPTZVLQAG-CQOSDQHZSA-N 442.564 2.397 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1518941241 IUOTUECLBYVEJQ-KKSFZXQISA-N 448.483 2.482 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)cc1 1519506127 FXLRQSISZHJOBP-QGZVFWFLSA-N 443.554 2.111 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)CN3CCCC4(CC4)S3(=O)=O)ccc21 1523241829 ZCLVNFAPBGSYOB-UHFFFAOYSA-N 430.530 2.166 30 10 IEEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1525707864 HDTNIPIWFPYNBN-XWIAVFTESA-N 439.434 2.400 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1529528000 CNJFQIFQNFMFGD-UHFFFAOYSA-N 441.509 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1538965070 ZZKUYUYSEPKLBH-IBGZPJMESA-N 436.560 2.165 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539212835 YCQNDBPFCIGFDG-NSHGMRRFSA-N 428.558 2.387 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1539342944 CGRFHPFJFSLQIC-CYBMUJFWSA-N 425.942 2.058 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(c2ccccc2OC)C1 1539416632 QRINNVQRYCBSNB-PMACEKPBSA-N 439.560 2.403 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(F)(F)Br)CC1 1539454034 UYXJBJNMPHWFHP-UHFFFAOYSA-N 425.281 2.007 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539497839 PXEXIHUUOLLECV-AEFFLSMTSA-N 427.530 2.255 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1539516982 GQZURBFSTCGMQK-QUCCMNQESA-N 428.558 2.433 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1539903555 ZWRDYQBDKOPFJL-ULQDDVLXSA-N 426.631 2.410 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1539981210 DINBBTMVCNUUES-INIZCTEOSA-N 438.623 2.238 30 10 IEEE O=C(NCC#Cc1ccccc1)c1ccc(I)cc1-n1cnnn1 1540628836 HVWQUEKJWRSECC-UHFFFAOYSA-N 429.221 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540864932 PIVIHUXOCGOKCD-BBRMVZONSA-N 439.438 2.412 30 10 IEEE Cc1ccccc1Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1542747496 NLHOIICGNOKBIA-IBGZPJMESA-N 425.514 2.314 30 10 IEEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 1543462460 MTTDWVSVXLNGDK-PKOBYXMFSA-N 432.542 2.170 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1547231983 RYMFYXFWBIZPTA-UHFFFAOYSA-N 437.548 2.086 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547680132 CKZVOKPNVJLEOB-CEWLAPEOSA-N 445.612 2.053 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1c[nH]nc1C 1548175249 OQVWXCIAIJQOGS-UHFFFAOYSA-N 435.536 2.072 30 10 IEEE C=CC1(CC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)CN(C(=O)OC(C)(C)C)C1 1557569221 HRODPPQOAJETAM-UHFFFAOYSA-N 441.575 2.093 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 1557978540 WKNOONBIXHKOOO-UHFFFAOYSA-N 439.447 2.405 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1558694442 QRPBGACYWLVGRQ-OAHLLOKOSA-N 445.516 2.210 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 1583263194 LHIZFESEXAITNX-LJQANCHMSA-N 445.472 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2ccccc2C1 1587556005 LVISDTNEMNZUHM-GOSISDBHSA-N 429.528 2.442 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 1587990610 ZEBDXKUNKCNRIE-QGZVFWFLSA-N 433.553 2.473 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCOC[C@H]1C 1588083334 FDEIONRBZOUVNR-MOPGFXCFSA-N 425.508 2.351 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1593690359 KTMQYYZKCZTBSB-OALUTQOASA-N 432.569 2.306 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1593722686 VUKOPCIPVHBCPL-INIZCTEOSA-N 437.541 2.195 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)CCOC)CC1 1594209434 WKTIPBCXRGZIEB-UHFFFAOYSA-N 447.605 2.329 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1594820069 SBFXMUGSEUTSSR-QHCPKHFHSA-N 426.565 2.158 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1595544230 GENPQLITESDANM-SFTDATJTSA-N 434.544 2.415 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)CN2CCOCC2)C1 1595713980 JLWCKFNIBBHOGS-AZUAARDMSA-N 426.565 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](OC)C1 1595789111 NCMRIHIXMFFSCN-QGZVFWFLSA-N 443.529 2.426 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)COCc2nccn2C)cc1 1596926221 ZELUOUQSJNVXLU-PTGBLXJZSA-N 433.534 2.168 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1597984843 BBTVNFSUEOHJCR-DLBZAZTESA-N 426.521 2.426 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1615269690 IPTUWIBTGUMCRJ-DQRAZIAOSA-N 449.515 2.490 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 1621886813 HDEKYRIDLFOCLM-ZDUSSCGKSA-N 449.298 2.191 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)c(C#N)cn1CCOC 1623540379 BIEPOAZJCHVHKZ-QAPCUYQASA-N 428.489 2.296 30 10 IEEE N#CCOc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 1624807910 GVBIOVJPXCGGFW-UHFFFAOYSA-N 429.376 2.405 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)Nc2cccc(CC#N)n2)(C(=O)OC(C)(C)C)C1 1625015395 NYESTPGEQYCGFY-QFIPXVFZSA-N 446.504 2.434 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)cc1 1632291909 GZNGXZAJJOZOLP-NRFANRHFSA-N 443.569 2.090 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCc2ccccc2N2CCOCC2)[C@@H](C#N)C1 1635213493 DSBXIZBYWFDKDM-IBGZPJMESA-N 428.533 2.427 30 10 IEEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636303955 DKWAQJQBIFBVMJ-AEFFLSMTSA-N 435.565 2.077 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@H]1Cc1ccc(O)cc1 1640436205 LRHWHYJZLADLAH-KRWDZBQOSA-N 427.526 2.445 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)c1=O 1640769132 RVOXGNHEPNMZTK-NRFANRHFSA-N 440.544 2.181 30 10 IEEE CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1653029374 MSXXXQMZOWNYOT-OAQYLSRUSA-N 435.546 2.086 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(=O)OC 1670894478 YLNOVQFRQOCERC-JCQPUDPBSA-N 439.353 2.248 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N=c2cc[nH]cc2)cc1 1684369727 FMEHKXFMVQZGEP-KRWDZBQOSA-N 428.500 2.329 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690172899 QWQKGLOUKPXUPO-GOSISDBHSA-N 430.622 2.045 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690175041 OUIUTNWCSHSTOX-UHFFFAOYSA-N 446.665 2.368 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690322243 YPJJHDJMQZWLPW-OAQYLSRUSA-N 443.596 2.395 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1690515673 REWIWGZLFVKNPQ-CABCVRRESA-N 444.602 2.156 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC(C)C 1690558390 OAPHPTSJXJLUSB-UHFFFAOYSA-N 449.559 2.493 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1690581083 KMIJBTLDIAPKBP-SLFFLAALSA-N 444.580 2.121 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1690673225 RMKYOUDBLKVKHY-KRWDZBQOSA-N 442.520 2.345 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc([C@@H](C)OC)n2)C1 1690685049 USMXMQPBVPLZMR-ZBFHGGJFSA-N 434.566 2.410 30 10 IEEE CCCN(CC)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695319656 MUYFNRHVAXZOBB-KRWDZBQOSA-N 439.564 2.439 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1698487657 VKQRQLNBYBPALK-KRWDZBQOSA-N 430.459 2.333 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705534412 HQACJOXWXCOOQO-QRVBRYPASA-N 435.594 2.041 30 10 IEEE C#CCN(c1nnc(C)n1CC1(c2ccccc2OC)CCC1)[C@H]1CCS(=O)(=O)C1 1705561681 SEEXLDOAZOOFLZ-SFHVURJKSA-N 428.558 2.344 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705562394 BGFGUFVLWWXPAR-YVWKXTFCSA-N 444.557 2.005 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CN(C)C1=O 1705577813 UUOJWAJGBYCNNH-SFHVURJKSA-N 432.347 2.320 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705792383 RZZHDUSPQGNPRL-QGZVFWFLSA-N 449.621 2.231 30 10 IEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1705813216 ZWBOAOYWQQNHLD-UHFFFAOYSA-N 436.534 2.172 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1710698466 ZKCZUBSVCGNNQH-DLBZAZTESA-N 439.564 2.470 30 10 IEEE N#Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1712881133 MWVRNFKQHSOFNF-UHFFFAOYSA-N 431.422 2.461 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnc2n1CCC2 1722392914 WJBRXCRQDVSBHX-UHFFFAOYSA-N 431.500 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCCC2=O)c1 1722400968 GTZIHNRCUFWEBH-UHFFFAOYSA-N 444.539 2.039 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1722588492 UJNJFJZJSDBZPZ-ZDUSSCGKSA-N 439.504 2.212 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1722739603 XBFKMECRQPVYOU-QGZVFWFLSA-N 438.575 2.191 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCSCCCO 1723626684 GTUMWZPVAMYFRW-MOPGFXCFSA-N 442.589 2.275 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(F)(F)F 1729851506 AIGLSJFGHBMHLU-XJKSGUPXSA-N 436.438 2.451 30 10 IEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1740576316 UOCHYFVPPJIIDY-GOSISDBHSA-N 444.580 2.475 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCCCn1cc(Br)cn1 1740638266 LYPWBCWCSQQNSZ-MRXNPFEDSA-N 431.338 2.294 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CC1 1740696677 BCXNCVDSBDRZKE-UHFFFAOYSA-N 438.551 2.070 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1740697818 HGKXMIGWYGZSBW-QHCPKHFHSA-N 447.562 2.461 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1740717189 LSFUOEYJFBTALB-GOSISDBHSA-N 445.614 2.003 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1OCC[C@H]1C 1740938041 WGKAHZIVTZFBSX-ZHALLVOQSA-N 434.562 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740991023 MJAMUDJXYSIAPF-LAUBAEHRSA-N 438.594 2.311 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1741182560 IUAKWVZVAMIKJF-QTIQAUKSSA-N 439.520 2.051 30 10 IEEE CN(CCCNC(=O)C1CCC1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1747939951 TXZDHEROVOYHOA-QGZVFWFLSA-N 426.521 2.428 30 10 IEEE COc1ccc([C@H](C)CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1748594194 FYHBVSXTPJCALM-XLIONFOSSA-N 438.532 2.445 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC=C 1748684925 RBKSTWPFYJXFBD-AWEZNQCLSA-N 432.322 2.380 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1748729998 BDTLDBDFLMAXFB-LJQANCHMSA-N 427.471 2.457 30 10 IEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748820369 AKNWBQKDLKOISA-RTBURBONSA-N 446.573 2.136 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccsc1)N(C)C 1748842622 PAFUKJFLKKOBCO-SFHVURJKSA-N 436.541 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748889645 BVDNKSWBNVBYIB-VQTJNVASSA-N 448.575 2.483 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CC1 1748978855 QOPCOZBUULHEIG-SIKLNZKXSA-N 433.622 2.217 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N(C)C 1749113228 BUSWNSXAQGXVHH-HXUWFJFHSA-N 432.525 2.499 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(CN2CCOCC2)CC1 1749220279 CZFUISAFSXILAH-UHFFFAOYSA-N 428.581 2.425 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1749285729 VJYJXWSNPAKTSS-UHFFFAOYSA-N 444.561 2.439 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1749520105 ZFMBZRANTMWCFQ-HRAATJIYSA-N 434.562 2.453 30 10 IEEE COCCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749593551 AIHFINVVQFCESM-LJQANCHMSA-N 439.564 2.438 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1749607644 GURLWUWGACDYEV-YADHBBJMSA-N 439.495 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749741049 NUZJUYMDHDNICS-OWSLCNJRSA-N 426.583 2.085 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1COc2ccccc2O1 1749830538 MOXBLWHLAXCQDZ-MSOLQXFVSA-N 427.505 2.379 30 10 IEEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1750036286 OWBRYMLGQROJBI-UHFFFAOYSA-N 446.515 2.181 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760147590 BHUUMHVCOCXICF-GOSISDBHSA-N 445.589 2.475 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1Cc1cccc(N2CCOCC2)n1 1760178451 NZRPFTIRYVEIPY-UHFFFAOYSA-N 436.491 2.346 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1760229538 VMLZLGRXNRNMIM-SFHVURJKSA-N 443.356 2.261 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760491618 NQIFVVZXJBGCRO-LJQANCHMSA-N 426.546 2.419 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)C[C@H]1C 1760517253 HUQSEPKFMDDXCY-LSDHHAIUSA-N 442.589 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCCOC1 1760552335 KPUWVRJSWKENLP-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760556333 AFBCNOIQPQQHOC-GOSISDBHSA-N 433.578 2.116 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1760791113 REZKTOKSOWHDAI-UHFFFAOYSA-N 445.568 2.445 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(=O)(=O)CC)cc1 1762586448 ZTDQPUSBRNPUHK-HXUWFJFHSA-N 434.541 2.279 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1770678839 GBXAUOHIDGSWSO-HNNXBMFYSA-N 429.546 2.398 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1771177082 XAPLXJPGRUEZLZ-FKIWZOAZSA-N 446.552 2.153 30 10 IEEE CCn1cnnc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1772881072 NXTHCYNJFSFBRC-CYBMUJFWSA-N 443.309 2.096 30 10 IEEE Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCCCC#N)CC4)c3CO2)cc1 1849946702 ZQFQFJZQGCNWCT-HXUWFJFHSA-N 436.516 2.130 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)CCc2nc(Cc3ccccc3)no2)CC1 1851890799 SILAGGQODUTTEL-UHFFFAOYSA-N 446.511 2.225 30 10 IEEE CN(C(=O)C1CCN(Cc2cccnc2)CC1)c1snc(N2CCOCC2)c1C#N 1853004169 NZUYQVCBTVHDFZ-UHFFFAOYSA-N 426.546 2.121 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1C#N 1853208954 ZTLQRSJTCJCSMW-LLVKDONJSA-N 435.362 2.346 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)cc1 1853683007 RBSYZSJSDRXUDA-LJQANCHMSA-N 431.558 2.023 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CCC[C@H]3Cn3ccnn3)CC2=O)c1 1856678535 WUWRISDKWUHQNH-SJORKVTESA-N 426.908 2.151 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)/C=C/c2ccc3c(c2)OCCO3)cc(C(=O)OC)c1 1860730893 LKUUYFXTLRALFO-HWKANZROSA-N 425.393 2.252 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862683267 XHNLOGYEABSUFA-IBGZPJMESA-N 440.427 2.327 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2cc(F)ccc2F)CC1 1866869335 ZVTHOWNJOYWYPC-MSOLQXFVSA-N 448.495 2.419 30 10 IEEE C=CCN(CC=C)c1nc(=NCc2ccccn2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712502 ICZDUXUNIYQOBG-UHFFFAOYSA-N 431.500 2.416 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC(CO)CC1)n2CCCOC 1873558572 GXSOWPBDWRMHTH-UHFFFAOYSA-N 427.549 2.491 30 10 IEEE Cn1nc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Br)c1Cl 1881517154 VNLXFCFOGFVLQL-GHMZBOCLSA-N 447.765 2.281 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1889689791 AVHUMFCOOSQCPK-OAHLLOKOSA-N 432.011 2.264 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)CC1 1890179794 GZVLBEMBXVZRJZ-UHFFFAOYSA-N 428.533 2.165 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(COc2ncccc2C#N)CC1 1891198211 JLLLXVMADVMVGG-SFHVURJKSA-N 439.541 2.427 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1963655923 NSOZSDIXCNVOMW-CQSZACIVSA-N 430.343 2.377 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622754 DHSAMKQIPLHDAY-HUUCEWRRSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060635536 MVJMMOZWXYPYAO-DZGCQCFKSA-N 430.314 2.184 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc[nH]cc2C#N)CCN(Cc2ccccc2)CC1 2066544495 XWWRYBLUINVRPV-UHFFFAOYSA-N 436.516 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](O)Cn2cc(Br)cc(C#N)c2=O)C1 2096020390 FWLJMPOFVDKNFY-IUODEOHRSA-N 426.311 2.490 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2141249100 UZYDQCNRJJVEFH-INIZCTEOSA-N 447.341 2.083 30 10 IEEE C#CCN1CC[C@@H](NC(=O)c2ccc(Br)cc2I)C1 2142040004 QLUFULJAGDEZDH-LLVKDONJSA-N 433.087 2.491 30 10 IEEE C#CCn1ncc(NC[C@@]2(O)CCCN(Cc3ccccc3)C2)c(Br)c1=O 2157516680 GVOUIEYMWZOIGB-FQEVSTJZSA-N 431.334 2.078 30 10 IEEE N#CC1(CS(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)CCCCC1 2174786103 GNRWSOITTREQFP-RTBURBONSA-N 435.546 2.464 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2247780924 LOUIKSMVBVNUDC-HZPDHXFCSA-N 425.363 2.303 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630149 GMOYXNXKOQMRAY-UONOGXRCSA-N 434.346 2.179 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255670292 WVDUDMINEIDDFH-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255692721 DDOWHDRDIVPPNZ-KRWDZBQOSA-N 431.342 2.462 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829888 XAUTULFINMSDFY-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)n1 2255833673 HDDHGNBMTRCKEQ-QGZVFWFLSA-N 426.370 2.453 30 10 IEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255846267 HRHMELRUKJBUJL-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256928057 PDCGXOASPXRUHV-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267132356 OOMQUTOWGRXZBT-HOTGVXAUSA-N 448.373 2.285 30 10 IEEE COc1cc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267134105 LACJJTFRZQSQTP-HNNXBMFYSA-N 448.325 2.275 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1)C(=O)OC(C)(C)C 2267143313 GPLZXWPMWUUQTM-HNNXBMFYSA-N 448.373 2.428 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)n1 2267172365 WHKJFRCIYUTTOE-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)OC1(C)C 2267193621 IHIBDRXQAVWWSL-UUOWRZLLSA-N 436.365 2.303 30 10 IEEE Cc1c(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267194810 GSIYPLLTNGBFQI-UHFFFAOYSA-N 448.373 2.203 30 10 IEEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)nc1B1OC(C)(C)C(C)(C)O1 2267499860 ZVQCOFBVXXLSJS-OAHLLOKOSA-N 448.373 2.143 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2267519151 GFVOAVZYAYBRCD-MRXNPFEDSA-N 446.307 2.349 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267873599 ZFMVPDXVWCYJJL-CQSZACIVSA-N 446.357 2.294 30 10 IEEE CC#CCN(CC(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300546718 YRWJFJFRCFELFX-JOCHJYFZSA-N 439.553 2.125 30 10 IEEE COc1cc(C=NN[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccc(C)cc1 2320842284 IWCWMPGVGGKZPD-SFHVURJKSA-N 431.514 2.132 30 10 IEEE NS(=O)(=O)c1ccc(NN=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1 1563188 LBCXESHXRQARKE-UHFFFAOYSA-N 435.465 2.097 30 10 IEEE COc1cccc(CNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)c1 9860522 LOWKAVJRZRGKMC-OALUTQOASA-N 445.566 2.044 30 10 IEEE C[C@H](NC(=O)CSc1nnc(N/N=C/c2ccc(N(C)C)cc2)n1N)c1ccccc1 20527643 MJJBOPSJWLMEGC-LUILSVGHSA-N 438.561 2.473 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1 59015464 OHXDPOJLDTVAJB-WSDLNYQXSA-N 426.502 2.416 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 103936571 RDPNQYVZZOCUQM-CCCHMHNHSA-N 448.501 2.059 30 10 IEEE C[C@@]1(c2cccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2)NC(=O)NC1=O 426326895 NJJYZIJQBCALSC-KXBFYZLASA-N 427.258 2.498 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 427979285 HGZKIWWFYGIHSP-JPYJTQIMSA-N 440.569 2.396 30 10 IEEE CN1C(=O)N(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C(=O)C12CCCCC2 438627513 KBAMRJZKXUBMLH-UHFFFAOYSA-N 439.516 2.356 30 10 IEEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCOC[C@H](C)C1 460375422 PFKXCUFDTMOHLX-GOSISDBHSA-N 433.578 2.456 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 460382576 AQEYWTLIPYUGKV-VQTJNVASSA-N 445.589 2.399 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 460804650 QUGXDBKPXIQOTC-SJLPKXTDSA-N 435.550 2.430 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)cn1 461318869 TZCHGLDVMCHZJZ-MRXNPFEDSA-N 442.526 2.382 30 10 IEEE CC[C@H]1CN(c2ccccc2)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 461329142 FNARBYWGMMDUOG-MJGOQNOKSA-N 426.542 2.352 30 10 IEEE Cc1cc(Br)cc(C)c1S(=O)(=O)N(CCC#N)CCN1CCOCC1 500062882 XUQJWMNVDRKHMA-UHFFFAOYSA-N 430.368 2.303 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](O)(C(F)(F)F)C1 508876068 WNSMBDZOMOJJEV-LJQANCHMSA-N 434.422 2.364 30 10 IEEE N#C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 511721917 JGGANILJELJPKQ-FQEVSTJZSA-N 431.489 2.160 30 10 IEEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 513558496 NXBUORIGZLCUPF-QGZVFWFLSA-N 433.559 2.493 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccccc1 514720000 RNPPVVNAEUWEKN-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCSC)c1=O 518636056 OSMAAVKSWXQFGP-UHFFFAOYSA-N 432.542 2.293 30 10 IEEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2)cc1 521915755 HHBDVFQPGKIKQP-UHFFFAOYSA-N 435.509 2.263 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(C[C@H](C)C#N)C3CC3)CC2=O)cc1 533142013 YWZDCUALEXYKKM-IAGOWNOFSA-N 446.573 2.221 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 540582132 OOTUJXQORBESSR-IBGZPJMESA-N 425.514 2.423 30 10 IEEE CCOC(=O)c1[nH]c(CN2CCN(c3cccc(C#N)n3)CC2)c(C(=O)OCC)c1C 544876624 BDSIRBOEHXNEIE-UHFFFAOYSA-N 425.489 2.265 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CCN1Cc1ccccc1 567243749 KFXASWZCWUBZKP-FGZHOGPDSA-N 447.539 2.086 30 10 IEEE N#CCCCCS(=O)(=O)N1CCCC2(CCCN(S(=O)(=O)CCCCC#N)C2)C1 568406191 RTXLHBMQFRKKQJ-UHFFFAOYSA-N 444.623 2.212 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1CCC 570253532 DRZPSOKIWPXELH-UHFFFAOYSA-N 448.470 2.240 30 10 IEEE N#CCCN(CCC#N)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 574493906 PBBAUUWTVLTJPB-CJJLBDBPSA-N 428.492 2.122 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(=O)Nc4ccccc43)CC2)cc1 609878470 WQOIOVZHTOOFAK-UHFFFAOYSA-N 438.509 2.334 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(N)=O)cc1 733202339 QFUKUDDSNXMKCO-SFHVURJKSA-N 436.493 2.475 30 10 IEEE COC(=O)c1cccc(Cc2cnc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)s2)c1 746191414 DKZGWWYHFYJSBD-HNENSFHCSA-N 440.481 2.376 30 10 IEEE O=C(O)COc1cccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 746372062 HLLLTNNIRIXJJK-UHFFFAOYSA-N 445.497 2.388 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 746614661 KEVRXHKUOJAOQK-CQSZACIVSA-N 441.492 2.139 30 10 IEEE Cc1oc(NC(=O)COC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c1C 752612318 AEBFZRCNKWCVOT-ZDUSSCGKSA-N 433.486 2.304 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 752613667 IPJZOYUVVQNUDV-IFXJQAMLSA-N 430.482 2.370 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)CC(=O)O 757378335 FATSEVVQGRVMHK-VFNWGFHPSA-N 438.480 2.422 30 10 IEEE O=C(NCC#CC(=O)N1C[C@H]2C[C@@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470540 HWJFXGRIGZAYPQ-PUAOIOHZSA-N 430.460 2.462 30 10 IEEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 767884053 JRZWXDUMPBIGDV-UHFFFAOYSA-N 445.548 2.478 30 10 IEEE N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 770502830 DNPNFTSGMFGVGE-OZYJXZHSSA-N 434.823 2.252 30 10 IEEE C=CCn1c(-c2ccccc2OC)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787244938 DTSYTWGBNQIPDF-UHFFFAOYSA-N 431.562 2.414 30 10 IEEE C[C@@H](OC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)C(=O)NC1(C#N)CCC1 787683265 CATBKDPPWMZOBX-QGZVFWFLSA-N 426.517 2.445 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)n1 790105937 IRNVNJNEOUBSIG-UHFFFAOYSA-N 432.406 2.405 30 10 IEEE COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 799837568 VKQNBLUSCFFLNG-UHFFFAOYSA-N 447.435 2.373 30 10 IEEE N#CC1(CCCOC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCOCC1 800154465 RGJBEGHIJSPVIM-FQEVSTJZSA-N 425.485 2.106 30 10 IEEE C#CCN(c1nnc(CCCc2cccs2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812260664 WJMKQFYIQGTSEK-MSOLQXFVSA-N 448.614 2.321 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CCC3)c2=O)cn1 814252919 AQPRXPUOVANSJF-UHFFFAOYSA-N 432.505 2.326 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 916776025 OIJGTUDMQXYHFF-IBGZPJMESA-N 441.509 2.208 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1OC 1084266768 YAJRMNRVMUWQBA-UHFFFAOYSA-N 430.494 2.041 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)s1 1084460795 VRZVGFQDOPUIEQ-UHFFFAOYSA-N 449.478 2.009 30 10 IEEE COc1cc(NC(C)=O)ccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1137636394 VVTNZNCWBHCSFL-UHFFFAOYSA-N 430.486 2.111 30 10 IEEE O=C(CNCC(F)(F)F)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1146782833 RRYBTLFOOOGTOU-STQMWFEESA-N 429.336 2.341 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 1149999478 DHHKDNXUHLFWFT-FYWRMAATSA-N 448.595 2.314 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1CC(CCO)C2 1152788662 LTLQHNYHJBZJJK-LNLFQRSKSA-N 433.574 2.436 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(c4nnc(O)o4)CC3)C2)C1 1157659301 CVWKEXHCMVYPFB-FAGJFJLWSA-N 431.493 2.268 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1157818220 MSSSZGHRCBGOOU-VTAQAIMTSA-N 442.409 2.483 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cc2ncon2)CC1 1178377952 GUWGGUSPPHZMTA-QGZVFWFLSA-N 445.545 2.004 30 10 IEEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](c1cccc(C#N)c1)C(F)(F)F 1197202971 PGDWDCNASRWCAK-KRWDZBQOSA-N 426.420 2.346 30 10 IEEE CC(C)(C)N1C[C@@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1=O 1213181209 DQQXMTKMKRCKME-SNVBAGLBSA-N 432.315 2.385 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ncc(Br)cn2)c1 1264635242 XSKSIOATUSDKSU-STZFKDTASA-N 438.307 2.304 30 10 IEEE C#C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccc(Br)cc1 1275465830 YZAQGERNPWQQJC-WMZOPIPTSA-N 443.276 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@H](C)C1 1286299739 HUOHZAXFVJYYEP-VQTJNVASSA-N 435.576 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1Cc1cccc(N2CCOCC2)n1 1286410226 ZIEFRASCMZQOET-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C)C(C)(C)C1 1286424986 TYDJIMDFPCDBGV-UHFFFAOYSA-N 439.995 2.482 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC2CCOCC2)CC1 1286503937 KTSSEICFSOPHST-UHFFFAOYSA-N 428.606 2.199 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286507049 BHHCSIHSJOUOON-IBGZPJMESA-N 431.631 2.455 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCC)CC1 1286509449 QRBYLLHYNKNOEF-ROUUACIJSA-N 440.635 2.332 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286557109 HDPPQVPDRDELLC-HBFSDRIKSA-N 439.626 2.223 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(C)C)C1 1286782185 NBDHCJCVCJZSCE-QGZVFWFLSA-N 431.562 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnccn1 1286787707 YWKMHVJGPHGBRH-UHFFFAOYSA-N 430.472 2.329 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1286833243 XSGKAZGWHXBPIU-DLBZAZTESA-N 428.624 2.352 30 10 IEEE CN1CCN(c2cc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)ccn2)CC1 1290967123 OKGKKFCMFSQFFT-SFHVURJKSA-N 430.553 2.037 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CC2(NC(=O)OC(C)(C)C)COC2)C1=O 1297273461 MEJIWSFKZFLMGT-FQEVSTJZSA-N 440.541 2.372 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(Cc3ccccc3)CCOCC2)cc1 1297918934 BCRZQHQWXBDHHX-UHFFFAOYSA-N 427.526 2.400 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cccn1 1298801202 HIPCBMMLPMSQRE-HNNXBMFYSA-N 445.325 2.062 30 10 IEEE Cn1cc([C@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CCO2)cn1 1298805572 XGDDKAFPXWANGF-QHCPKHFHSA-N 435.532 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300295449 IASVAFXFEOFYMK-SCTDSRPQSA-N 428.562 2.002 30 10 IEEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCCCO)c1 1300390195 ZWTKZIQYCKIEFD-LJQANCHMSA-N 442.589 2.246 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnc1C 1300455390 IJHZKWATBYQKNZ-UHFFFAOYSA-N 430.516 2.340 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1300497102 XMDQHQVBIYEAIR-NHCUHLMSSA-N 442.585 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1300570004 WJHCFGHUAATSGX-IRLDBZIGSA-N 442.527 2.365 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1300595826 QYPXANVTKPBZHD-IPMKNSEASA-N 432.590 2.094 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(OC)CCOC1 1300638573 FGZTVDVTQWGWMV-RTWAWAEBSA-N 431.468 2.113 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301165897 MJRNSIZVZZWSGQ-PMACEKPBSA-N 445.589 2.224 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1301272146 CDHNWYRELYVKBS-UGSOOPFHSA-N 425.580 2.060 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br)C1CC1 1301313572 BSCJUWDLPGAOQZ-SECBINFHSA-N 428.303 2.031 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCSC1 1301482827 CXVOZHZGDLWOJH-GFCCVEGCSA-N 425.356 2.280 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H]1CC 1301497429 WLSLPKPVTDWIIL-CVEARBPZSA-N 435.532 2.119 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC(F)(F)CC1 1303096162 OHYNBJQOFQFUHE-ZMMDAZFZSA-N 436.463 2.282 30 10 IEEE Cc1noc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)n1 1304891366 DHVJDBDZRBBBME-OAQYLSRUSA-N 435.492 2.380 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(COC)c1 1306192670 CHJGUQDUJCZTDX-UHFFFAOYSA-N 434.548 2.275 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1316175219 AQQLJVLJNVPBFH-KKSFZXQISA-N 440.483 2.073 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC2=CCCOC2)cc1 1316533511 SMJHURNSNAJMOM-UHFFFAOYSA-N 444.486 2.463 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1358885652 NVJBPJNQJCCVPZ-HNNXBMFYSA-N 430.516 2.223 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1358912735 XPKBFQBGHADCRM-JTSKRJEESA-N 446.548 2.221 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCc2ccccc2)CC1 1359044990 TWBFVDYGGHVHKE-OAQYLSRUSA-N 448.571 2.218 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1359226463 GGZHBBQOZGKYKG-GCJKJVERSA-N 429.496 2.059 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1359238711 UQSVHISUAWTLJG-HSZRJFAPSA-N 435.532 2.166 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1359275597 YMBUTEWIIMLVKB-LJQANCHMSA-N 425.533 2.006 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1359330248 LXTHJHBNOJQLQH-OAQYLSRUSA-N 432.546 2.171 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](OC)C1 1359334866 SWBHHQWVEWSIBE-GOSISDBHSA-N 434.562 2.300 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1439615956 ONLCASCUSINWID-HZMBPMFUSA-N 437.237 2.478 30 10 IEEE C=CCC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1449699786 SODBKACACGPGEE-ABAIWWIYSA-N 437.290 2.448 30 10 IEEE CC[C@](O)(CCC(F)(F)F)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1456512405 RANWLAFUBGYKMY-SJCJKPOMSA-N 435.468 2.104 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)N2CCCCc3ccccc32)c1 1456616578 FQAVSSXVGUKUNI-UHFFFAOYSA-N 429.473 2.222 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3ccc4c(c3)OCCCO4)C2=O)cc1 1462816016 YJXZZTMHJORSGO-IBGZPJMESA-N 448.479 2.283 30 10 IEEE C=CCn1c(SCC(=O)N2CC(O)(c3ccnn3C)C2)nnc1-c1ccc(Cl)cc1 1471473083 NVQYLDMZNGVOIH-UHFFFAOYSA-N 444.948 2.340 30 10 IEEE COc1ncc(NC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C#N 1477077309 FUSQYHJBVOOYSW-UHFFFAOYSA-N 429.502 2.078 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1495772780 GJHXXYMKCPUVDM-DFQSSKMNSA-N 439.564 2.436 30 10 IEEE COC(=O)N1CCC(Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1503884984 JIJRAZVZJCKXTJ-UHFFFAOYSA-N 439.520 2.415 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCOc1ccc2c(c1)OCO2 1505059396 OLUSMOFWNCYDPG-FTRWYGJKSA-N 443.504 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(F)(F)C1(OC)CCOCC1 1507512746 GPTZPWIAQNXVSI-HNNXBMFYSA-N 441.523 2.485 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCOC)C(=O)C1 1507570897 XDCGRZAFHYXCTA-UHFFFAOYSA-N 434.544 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCC3)nc2)CC1 1507742478 JBWLUFKDHQQFNP-UHFFFAOYSA-N 449.603 2.486 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507750510 XGOHDQMGBOVDOU-SFHVURJKSA-N 428.606 2.340 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCSCCCO 1507764625 RZFQQSVAZNTRTJ-OAQYLSRUSA-N 448.614 2.456 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507797804 MOVNVELZEUNLQT-AQNXPRMDSA-N 425.533 2.499 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1507812655 OELCESUWYUAIAR-KSSFIOAISA-N 427.596 2.260 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1507945356 FYUUGMFDAVUJMS-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1507982863 POYICDBHEUPYAY-FQEVSTJZSA-N 437.592 2.233 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1508085921 IOEBLYMBYMPBRX-AYOQOUSVSA-N 438.532 2.128 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1508090956 KQQOPNZZHIVGOQ-AZUAARDMSA-N 443.523 2.409 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1508093501 CDYSCSYHWFZFJW-LJQANCHMSA-N 425.533 2.145 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1508131487 MYUZEFNPHUJCNF-KRWDZBQOSA-N 426.583 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1508141450 NANCAVSZEFEBMJ-FUHWJXTLSA-N 448.593 2.020 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1509952187 ILJVUJQCBZIUAI-CQSZACIVSA-N 428.456 2.443 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1510374650 CYKXHEVZASJDGC-QGZVFWFLSA-N 440.529 2.381 30 10 IEEE CCOCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516681206 QQJVCZDZVPIWEZ-IBGZPJMESA-N 425.537 2.192 30 10 IEEE COCCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1519346819 GYJPTCYKNIWPBL-ICSRJNTNSA-N 427.505 2.322 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccsc2)CCO1 1521137561 PMRPGWFHIVZJDH-OAHLLOKOSA-N 428.543 2.303 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1533745504 BAXWNHBPYYSHIW-GDBMZVCRSA-N 434.489 2.079 30 10 IEEE CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 1538572626 YGOQHSNSUNVCSJ-QGZVFWFLSA-N 438.550 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1539022206 NXBPQAMVIFFJOC-HNNXBMFYSA-N 444.586 2.070 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1539030338 QJYZETNOSAEGJF-INIZCTEOSA-N 433.578 2.162 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1539668600 BXUMUBSTLCWKQX-IBGZPJMESA-N 441.532 2.475 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539793745 WVCYLEVKDBFTLA-BEFAXECRSA-N 429.956 2.081 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1540055055 ZCFKFOXGAIXTDX-HDICACEKSA-N 447.605 2.470 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1540885163 CRKAVPUYHSUVTH-PRCFCKQXSA-N 444.532 2.284 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1541111656 OXEPTVJSVHSZOS-CVEARBPZSA-N 429.550 2.179 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCOCC1 1542755314 NVPIJBQRURBJNZ-NRFANRHFSA-N 425.533 2.492 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1546587052 CJOPNGCVFWPBML-IBGZPJMESA-N 438.532 2.139 30 10 IEEE CN(C)CCOCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552875817 QMXHZDOXAIYKGR-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)ccc1OC 1565725019 HVKPIBYNQSDOJT-MRXNPFEDSA-N 436.472 2.192 30 10 IEEE N#CCOc1ccccc1C(=O)N1CCC(n2nncc2I)CC1 1584600877 UXDPBNCZISIPFK-UHFFFAOYSA-N 437.241 2.262 30 10 IEEE C#CC[C@H](CCOC)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1586377888 RVMCNHSMZSQVSW-LLVKDONJSA-N 426.844 2.182 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCOCC1 1587574259 FIYVSNNXQXEHBZ-HUUCEWRRSA-N 435.370 2.225 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 1587652491 ZPLHHTQIXSNGLY-LJQANCHMSA-N 434.592 2.001 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NC(C)C 1588189939 UUBSSBTWBVURQW-UHFFFAOYSA-N 431.338 2.034 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCOC 1589504715 JBUIATIDLPJTMS-ICSRJNTNSA-N 438.536 2.375 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1595556375 SXCNISXFCKXAGJ-AWEZNQCLSA-N 431.928 2.046 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1596662223 FFSPIGAJKCMFDX-UHFFFAOYSA-N 428.510 2.414 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 1596985951 YEVAANVIQHERFE-CNNODRBYSA-N 449.559 2.478 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 1602851335 WRFALKRDXJGHSI-HUUCEWRRSA-N 432.479 2.202 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCCOC)CC1 1615095553 SNEDJYYUMYYPBU-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1619423569 UQVPKNRNWHJJNR-WOJBJXKFSA-N 441.532 2.192 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1COc2ccccc2O1 1619989542 HEPFSOUEGIVPFX-VWKPWSFCSA-N 431.468 2.284 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)n[nH]2)c1C 1625586557 LMDQZVZVVJGLSM-NRFANRHFSA-N 430.578 2.014 30 10 IEEE CN(C)C(=O)N[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1626285908 ATXWNMFYODJEBG-IZCOPSDLSA-N 433.553 2.035 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1628042450 HLGHAIYRNPJGND-GFCCVEGCSA-N 428.352 2.039 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)CC2)cc1 1629485202 JSAFPCIXLREOCI-UXHICEINSA-N 440.481 2.103 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1I 1633445859 HGLMSJSJIFYQJR-CQSZACIVSA-N 435.269 2.173 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 1636201604 TZLHENPRNUHWHC-IXDOHACOSA-N 444.598 2.188 30 10 IEEE C#CCO[C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1636415385 ZLGZWIJBTRFXFO-QGZVFWFLSA-N 439.553 2.341 30 10 IEEE C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641404620 MHECMFPGZGUOPU-KSFYIVLOSA-N 444.557 2.171 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2 1643955759 MCBMZMAFFSVUCT-AOMKIAJQSA-N 430.553 2.112 30 10 IEEE COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1648734687 VPFZHQDTDVKLPJ-QFBILLFUSA-N 431.338 2.382 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OC 1671562210 VIMUXOMZSMPXJR-CQSZACIVSA-N 432.926 2.227 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc4c(c3)OC(F)(F)O4)C2=O)cc1 1682227891 WLQBUSMMWOIHIQ-INIZCTEOSA-N 428.395 2.480 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)nn1 1683483321 UTCDFWWPYAHHIP-PKOBYXMFSA-N 448.568 2.458 30 10 IEEE C#CCN(C(=O)NCc1nc(COC)n[nH]1)[C@H]1CCOc2ccc(Br)cc21 1686976882 ZXLFMIOJELBAIL-AWEZNQCLSA-N 434.294 2.382 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1689930755 YXXCHUWXLJQDQK-IEBWSBKVSA-N 435.594 2.026 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCCC2)c1 1690015608 RYBTWWWRQBFZDE-HXUWFJFHSA-N 432.528 2.457 30 10 IEEE C=C(Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1690322821 RMXWWTCBQVFQRD-UHFFFAOYSA-N 438.576 2.144 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690430157 DXDULPHNSHRXQC-IAGOWNOFSA-N 449.563 2.208 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690722315 FBVAKUNOALIFBR-QGZVFWFLSA-N 432.594 2.185 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1690745052 WWIKLDNHNDBSTQ-OAHLLOKOSA-N 428.624 2.493 30 10 IEEE CC(C)n1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1691001820 PHKQJHNPCGBXBZ-HZPDHXFCSA-N 448.531 2.110 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCSCC2)CCOC1 1692588637 YHOYDAGKJWXTPE-YADHBBJMSA-N 448.637 2.498 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1O 1693646604 DQDCHLHANCTASR-TVLQYADYSA-N 425.533 2.487 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCCO1 1693782203 CMOROBMUEPOPBE-SJLPKXTDSA-N 429.546 2.257 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1695427741 FMZNNACNLYJRPR-NRFANRHFSA-N 430.484 2.224 30 10 IEEE COCCN(C)CCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1698025356 HERZYNMJFFGPKC-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1698295181 HMOKNWXWXBCMHT-INIZCTEOSA-N 439.488 2.112 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705543325 CEAZRKKHXXHEFO-IBGZPJMESA-N 436.516 2.052 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NC1CCCCC1 1705629561 MKMDAVSPWJNVBU-UHFFFAOYSA-N 449.559 2.052 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CO)CC1 1705735729 WJQJDRRQLDEPRQ-UHFFFAOYSA-N 441.580 2.254 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705833144 WBPMGJDLBDMUEC-RCCFBDPRSA-N 433.553 2.430 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1706747227 JTLXMJXHRYHGMC-MSVBSMQLSA-N 437.479 2.273 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCOC(C)(C)C 1706854074 DWNFFRKQJCJEGH-OAHLLOKOSA-N 434.566 2.211 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)OC 1709520569 DRGIMNJVQWWJKJ-IEBWSBKVSA-N 426.521 2.246 30 10 IEEE CCOC[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1710779948 DPXLZRBCFPEBGM-JVMRMLDLSA-N 430.553 2.256 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)C[C@H]1O 1711459646 CCXBTOJYIQBTNT-RTBURBONSA-N 437.525 2.481 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1711690721 APSWBSDMGCEDJQ-XUTLUUPISA-N 438.488 2.087 30 10 IEEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1712359813 YTGMYCZOIBYAKZ-KRWDZBQOSA-N 446.577 2.104 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1722371919 MYZWTTHTTLRJAV-NHCUHLMSSA-N 442.585 2.115 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722455733 PONGDSCVFGZYLQ-MSOLQXFVSA-N 442.589 2.074 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](COC)C1 1722586095 SGWLLVAPTFDXOB-LJQANCHMSA-N 438.536 2.375 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722601496 XZDOVNPATJDFOW-QGZVFWFLSA-N 440.508 2.215 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)OC 1722654440 NILKSHPWZLVHQC-SJLPKXTDSA-N 434.562 2.416 30 10 IEEE CCN(CC)C(=O)CCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728353514 UIMIDXPUQDLMFC-UHFFFAOYSA-N 437.548 2.414 30 10 IEEE CN(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(F)c1 1729318349 GOJUCZXJAQSEJV-SFTDATJTSA-N 435.507 2.435 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1729927892 KSYBAECADHLQKH-QFIPXVFZSA-N 426.521 2.260 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)C[C@@H]1O 1731139992 JMVXZBOVDCIWQO-VGSWGCGISA-N 447.543 2.445 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1740532979 NMGZYTOUIZOVFO-STQMWFEESA-N 429.468 2.413 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2F)CC1 1740639368 URBVUEWWTNOSTA-INIZCTEOSA-N 444.507 2.263 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1740661938 NBSGGKDOOYQJIA-AWEZNQCLSA-N 432.525 2.211 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740675627 FTCLNPGJILRHFO-GOSISDBHSA-N 433.553 2.462 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@H]1CC 1740709150 BDZWVNHLCXRNAF-GOSISDBHSA-N 440.573 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC 1740733697 KPZPMOQYIOZIQW-OAQYLSRUSA-N 431.562 2.015 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740786863 QYUBHCFNBOEWHD-INIZCTEOSA-N 447.540 2.093 30 10 IEEE C=CCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740881448 HFJGJUQPVSJAIS-SXWKCWPCSA-N 433.597 2.442 30 10 IEEE C=CCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1740881842 RTDHRSBVHMBPAY-HSZRJFAPSA-N 443.596 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCSC1 1740953482 HNNXZTYXRNVXCE-HNNXBMFYSA-N 447.561 2.215 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740965331 HJJQZNIHIGRNOQ-YESZJQIVSA-N 448.568 2.171 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1741002755 LSPABVSNZZUGCY-IKGGRYGDSA-N 426.608 2.247 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1741274744 QQDPUQDABYFBPI-IBGZPJMESA-N 437.548 2.036 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1741931311 MNTFKLXFBNJBNF-VXGBXAGGSA-N 446.455 2.180 30 10 IEEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c(=O)n1C 1742231657 DKWKPDWESLBROK-UHFFFAOYSA-N 446.559 2.125 30 10 IEEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1745609721 GPYPGLRUVCTMTP-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1746366975 HYNHOFPLSNXFML-GFCCVEGCSA-N 432.330 2.302 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C[C@@H]1C 1746445904 GRLWUFIVSUHCQZ-IBGZPJMESA-N 437.592 2.194 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1748664239 FEICJHNDRYLZDB-INIZCTEOSA-N 435.532 2.048 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)N(C)C)c1 1748941056 VUMGJVFJNFJJGK-PMACEKPBSA-N 425.533 2.212 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)c2c(C)noc2C)CC1 1748971595 WKFLXZKNFCPLTG-MRXNPFEDSA-N 441.580 2.360 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1748983984 ISLLGRQTTMDZID-QFIPXVFZSA-N 435.620 2.035 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1748984069 KUWONXYWOGILIZ-UHFFFAOYSA-N 445.571 2.084 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccco2)CC1 1749009603 UEDOPMZLZUNTGV-XMMPIXPASA-N 448.527 2.115 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1749120148 AZGXWSYQQZLRLC-KPFFTGBYSA-N 445.568 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC(N)=O 1749124960 RVMSMLACMSQSID-KUDFPVQQSA-N 441.532 2.398 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SC)C1 1749213158 GFACSZWXPWHTCT-HZPDHXFCSA-N 431.628 2.203 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)S(=O)(=O)CC)CC1 1749345531 LLTYLTOJCIMSMX-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)c(OC)c1 1750153848 AAIIVDZJVATJLA-FCEWJHQRSA-N 447.923 2.441 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1760160836 PWWAZMNMMWLHOA-OAHLLOKOSA-N 432.484 2.375 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760185904 GVONELOFHJYHMD-GOSISDBHSA-N 446.573 2.191 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760187421 DDZRICAYQXCUBA-LJQANCHMSA-N 445.589 2.480 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2CN(CC)CC)CC1 1760257920 LWPBSYXRVYREOP-UHFFFAOYSA-N 446.603 2.324 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760515858 GYYFSUWEOMLTQH-QGZVFWFLSA-N 442.539 2.124 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1763266340 DRAHTGWNJQRGAY-JECHBYEQSA-N 439.289 2.018 30 10 IEEE CCN(CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1765244569 HSBYTWXPBYYHLJ-UHFFFAOYSA-N 433.520 2.000 30 10 IEEE CCNC(=O)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1 1765617012 CFFIHHCYEKEYRT-HSZRJFAPSA-N 437.548 2.344 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCC#N)CC1CC1 1770330321 GRUOVFZTOTUBND-UHFFFAOYSA-N 445.545 2.281 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1848726898 VSBUOVPHHGSODI-UHFFFAOYSA-N 429.480 2.495 30 10 IEEE COc1c(F)c(F)c(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c(F)c1F 1851251036 UJMYLHDUHXAOEG-UHFFFAOYSA-N 448.380 2.394 30 10 IEEE COCc1c(C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)nnn1-c1cc(C)ccc1F 1851411176 CVWWOCGBBODQRK-OAHLLOKOSA-N 438.419 2.105 30 10 IEEE Cn1c(=O)ccn(CC2CCN(C(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)CC2)c1=O 1852938444 MANZNSWIQGQLLX-FQEVSTJZSA-N 443.507 2.150 30 10 IEEE CN(CC(=O)N1C[C@@H](CN2CCC(C#N)CC2)CC1=O)c1nc2c(F)cccc2s1 1855870060 MCPQUBMOQIGVKW-OAHLLOKOSA-N 429.521 2.482 30 10 IEEE N#CCC1CCN([C@H]2CCCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1856520478 BJQXDFOHRDXKOX-INIZCTEOSA-N 439.484 2.440 30 10 IEEE N#CCC(=O)N1CCCC[C@H](N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1857435509 KYBWDZKCJYQCIY-ZWKOTPCHSA-N 437.949 2.323 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(C(=O)O)c3O)sc2c1 1866224199 UOMBKLBPEUQQON-UHFFFAOYSA-N 433.467 2.417 30 10 IEEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150965 KCOXKWCXBNLPGM-OAHLLOKOSA-N 430.424 2.137 30 10 IEEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870580030 BSKQZOXJTLHDQM-UHFFFAOYSA-N 449.548 2.277 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(C)cc2)cc1=O 1871008513 ZDTKDVQCSTZCFL-UHFFFAOYSA-N 437.521 2.477 30 10 IEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(OC)cc1C 1871034035 AOBUWYBYBUKCJO-UHFFFAOYSA-N 427.501 2.201 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550484 PIFOATFTDPQFOB-UHFFFAOYSA-N 437.592 2.388 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2054378538 GWNAJNJMPOUICM-CYBMUJFWSA-N 439.372 2.373 30 10 IEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nc1CNC(=O)OC(C)(C)C 2060810659 BRTZOHWKBFQGRU-GOSISDBHSA-N 438.532 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H]1CCCO1 2141675722 SLSIQUMJGQARRB-WBVHZDCISA-N 447.341 2.392 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587018 KMOFEKHYHFJYKD-INIZCTEOSA-N 431.319 2.447 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 2255699456 XIBSCBHDRLSYLA-UHFFFAOYSA-N 433.358 2.454 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255709507 XCDLPWZKUAXNFZ-RYUDHWBXSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2255817735 AFEJYVVGJWRIFE-UHFFFAOYSA-N 435.305 2.307 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2255832087 HJVXVAPGZVNZOE-CHWSQXEVSA-N 449.382 2.346 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2255873843 OUSCLNUXLRTCLR-MRXNPFEDSA-N 433.358 2.406 30 10 IEEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256024538 YUMZCRMTGPSPHC-INIZCTEOSA-N 436.314 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2256614968 QVTXPXOFAILKDO-UHFFFAOYSA-N 435.374 2.069 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267129727 FQFCHFZPNWQXIW-GOEBONIOSA-N 448.373 2.143 30 10 IEEE C[C@@H]1C[C@H](N(C)C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1Cc1ccccc1 2267138620 WKOJVLQHWJCNNK-MJGOQNOKSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267144283 ULPADMPJIJXTDU-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N(CCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2267163815 ZJWBONTWATYWJJ-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267264735 VZJKBOJONHWFRU-SFHVURJKSA-N 446.353 2.352 30 10 IEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265182 BLLWAECJZOXRGH-QFIPXVFZSA-N 448.373 2.445 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)c2)OC1(C)C 2267288079 ZWFLKOFQPGOXNG-LEWJYISDSA-N 437.349 2.039 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN(Cc2ccccc2)C1 2267489071 WMAPVORXIVVWFH-IBGZPJMESA-N 438.381 2.456 30 10 IEEE Cn1cc(C(=O)N2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516025 XKVLZFJHRWYPTN-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CO[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)N(C(=O)OC(C)(C)C)C1 2267563319 NUXCYHNHLXPWNL-JKSUJKDBSA-N 449.357 2.068 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267596040 YOTNSOXKWGZFFA-ROUUACIJSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268631899 DOURVAIIXPQLDR-YOEHRIQHSA-N 447.341 2.249 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC4(CC3)OCCO4)s2)OC1(C)C 2282343850 RZKICZALUOHPBI-AWEZNQCLSA-N 443.396 2.401 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)O 2319257944 GHRPLPUSOREHKH-OAHLLOKOSA-N 427.310 2.143 30 10 IEEE Cc1ccccc1OCCCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)cc1O 2327082106 CBMMQCJOYKUAPM-UHFFFAOYSA-N 441.513 2.469 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2337196998 RDONOAPDMLPUBO-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cn1cc(C#C[C@@H](NN)c2cc(Br)ccc2I)cn1 2340586064 GLCBFTLJWFQHEL-CYBMUJFWSA-N 431.075 2.343 30 10 IEEE C[C@@H]1C[C@]2(CCO1)CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C[C@@H](C)O2 430281208 YZRAKQCSFPUMIA-WDOIYZOTSA-N 444.551 2.193 30 10 IEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc1OC 478151785 ICTUFPBWXDJOFA-UHFFFAOYSA-N 447.488 2.002 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccccn2)c1=O 480007597 KOJNBVRJVGHPSH-UHFFFAOYSA-N 439.500 2.139 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 483188213 APPIAAIRCGZAQV-GOSISDBHSA-N 436.493 2.449 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC[C@H]3COc4ccccc4O3)C2=O)cc1 484632998 BVLYHJUZQSCSQR-ZWKOTPCHSA-N 434.452 2.110 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 486503303 BELROQGBYPFCMY-OXJNMPFZSA-N 429.484 2.300 30 10 IEEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 506783627 YCPYAPJSDJQDKJ-BTYIYWSLSA-N 435.525 2.073 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 514523380 SXQMXBZLAVDHJO-UHFFFAOYSA-N 435.461 2.232 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 534649098 VVKWYZYZKXGKGO-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)c1 535329513 MWWCAHQUAIUYNA-IBGZPJMESA-N 438.549 2.360 30 10 IEEE COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)ccc1C#N 562181879 PAEOWNNSRLWKIV-FQEVSTJZSA-N 427.526 2.425 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ncnc3sccc23)CC1 571584636 ZATRUWPIANYOFV-MRXNPFEDSA-N 427.534 2.273 30 10 IEEE C#CCn1nc(CNC(=O)c2cc(-c3ccccc3OC)nn2C)c2ccccc2c1=O 585170963 UYAQPHWZXXDMBF-UHFFFAOYSA-N 427.464 2.369 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)c1 603787091 RRJOKANEGNCODI-UHFFFAOYSA-N 437.496 2.074 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 619510139 UNSKZHFJLXZYJQ-FQEVSTJZSA-N 433.512 2.210 30 10 IEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 619742020 TUSBDVFUKXGTSW-AVRDEDQJSA-N 433.560 2.382 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669805099 CKOLPLUSFGAVMD-SIKLNZKXSA-N 438.576 2.340 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCc1ccccn1 726182503 VYYACXBLUOKANF-UHFFFAOYSA-N 428.517 2.363 30 10 IEEE C[C@H](CN1CCN(C)CC1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 730143810 VUJRSPFORBDNEI-BEFAXECRSA-N 447.580 2.062 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1F 730719014 VCCJCALAKDOZRZ-KRWDZBQOSA-N 433.509 2.322 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCc3noc(Cc4ccccc4)n3)C2=O)cc1 733831312 RDAAOLTVPJEBAB-SFHVURJKSA-N 445.435 2.480 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CCCC(C)(C)C#N)CC1 746657355 GMDHXMIPAMHYEK-UHFFFAOYSA-N 427.592 2.035 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c1 764079283 VGDJOXYJDKDVJV-UXHICEINSA-N 433.480 2.052 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C2CCN(C(=O)CCOC)CC2)C1=O 767722792 SIRCATYUGSRNFT-SFHVURJKSA-N 446.573 2.090 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCc2ccc(C3(C#N)CC3)cc2)c1 777147742 AYAPLTIHIMAJHY-UHFFFAOYSA-N 443.525 2.177 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3c(Cl)nc4ccccn34)C2=O)cc1 779954731 UPVCDVJEAFBFNT-HNNXBMFYSA-N 429.889 2.333 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(Cc2cccs2)CC1 780174180 AOHTYHLVFCUQER-NRFANRHFSA-N 435.546 2.197 30 10 IEEE C=C(CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O)C(=O)OCC 788810903 IEBBHZIWDPLGIC-INIZCTEOSA-N 428.226 2.178 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)n1 790104662 ITKMTMRMDXPQPD-QJOMJCCJSA-N 443.507 2.357 30 10 IEEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C3CC3)c2=O)cn1 793469468 QXNLTUISWUKTRP-UHFFFAOYSA-N 446.532 2.438 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@@H]3CCCO3)c2=O)cn1 794580702 ZGASXMATGMZTQH-KRWDZBQOSA-N 442.585 2.204 30 10 IEEE CCOCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802614385 ATISMOYBSZAOMT-RXVVDRJESA-N 438.532 2.394 30 10 IEEE Cc1nsc(N2CCN(C(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)CC2)c1C#N 810892876 WXZGRTCCQSIQSW-VMPITWQZSA-N 431.543 2.057 30 10 IEEE CC[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)n1nnc(-c2ccc(Cl)cc2)n1 916777784 UHYIOZXFOCPQMX-QGZVFWFLSA-N 444.904 2.462 30 10 IEEE Cn1cc(/C=C\C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(=O)n(C)c1=O 918608295 CCAYXRPGPKSKPU-FLIBITNWSA-N 430.464 2.381 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)c1O 1084450917 XXQJTYJMCVJOGT-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE N#CC1(CC(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)CCOCC1 1124798827 FGXGKLTXGDLNQW-YVLHZVERSA-N 443.481 2.278 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)c1 1136955680 MJDZVSXSPWJPHA-INIZCTEOSA-N 429.473 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCC[C@@](C)(C#N)C2)C1 1137759789 KAWZMRKSVMYVQK-FCHUYYIVSA-N 437.537 2.486 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)C2=O)cc1 1138181602 XKUKNDJIVUZXKA-DHLKQENFSA-N 432.524 2.197 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)c1 1141949068 JKILIVDKUPHXAX-UHFFFAOYSA-N 428.514 2.447 30 10 IEEE CCOC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCCC1 1164040642 WHZDVQVNFJQMEF-KXBFYZLASA-N 435.546 2.243 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2)c1ccc(Br)cc1 1211982715 YZFJOUFLZZHENG-INIZCTEOSA-N 435.299 2.224 30 10 IEEE C#CC[C@@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 1224388961 QFBLOYISHKWRMK-QGZVFWFLSA-N 430.486 2.279 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)C1 1248681040 AKVOOHHQQTWECV-IPMKNSEASA-N 436.478 2.330 30 10 IEEE CSC[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1279052984 KNXPCTRNPPIRLW-YQQAZPJKSA-N 446.598 2.175 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)C 1286315721 NUOQSIOUDYVKAM-UHFFFAOYSA-N 431.562 2.113 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286391209 GYIXIYPOULHEPI-NFBKMPQASA-N 442.585 2.155 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286393343 DOLYNAREJUURQR-GDBMZVCRSA-N 437.591 2.010 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1286401472 QXXBWJVPZWWLTK-ZEQRLZLVSA-N 440.519 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCOC[C@@H]1C 1286419203 ZFQVGJASMFDJSC-IBGZPJMESA-N 437.544 2.146 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](C(F)F)N1CCOCC1 1286440153 OKBNGWRPGNHDOK-QGZVFWFLSA-N 447.486 2.489 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOC 1286458452 VABHNOJOANIJHR-GOSISDBHSA-N 434.537 2.386 30 10 IEEE C=C(C)Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1286598426 IYWHNAICGJCBDZ-GCJKJVERSA-N 427.553 2.402 30 10 IEEE C=C(Cl)Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635543 VIRNDGPPWINILC-SOUVJXGZSA-N 438.960 2.468 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286702761 VRDIWGHTHGFVDO-LJQANCHMSA-N 430.578 2.234 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1286751041 LJAMKIXJOQQMQJ-YADHBBJMSA-N 443.640 2.028 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286814689 DSIIXIGONPIFKO-QFBILLFUSA-N 429.546 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286818795 OMEIPUJYGVNRDU-IBGZPJMESA-N 431.562 2.194 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1287098020 BIEQJDYIWXMSFA-UHFFFAOYSA-N 440.548 2.372 30 10 IEEE Cc1cc(F)c2c(c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)C2 1294720454 AIBOUYMHBXCFES-SFHVURJKSA-N 430.480 2.385 30 10 IEEE CCOC(=O)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCC1 1296150679 RJYKFQKXIOYJHW-UHFFFAOYSA-N 435.546 2.230 30 10 IEEE CN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1298173450 FFCXPHMOTSSVJI-MRXNPFEDSA-N 429.477 2.144 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)CC1CC1 1298328922 PNNRULPWEKYVJP-LJQANCHMSA-N 429.546 2.462 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3sccc3CC#N)CC2)cc1 1298846404 LSRFXRXZFRZERH-UHFFFAOYSA-N 437.568 2.435 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300400342 DWBYQPZDUZSBQC-OAQYLSRUSA-N 429.528 2.102 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1300500902 FUEQUOBRGXVKIV-FQEVSTJZSA-N 442.585 2.499 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)n(C)c1=O 1300511641 MXNPBDXUACYYKC-UHFFFAOYSA-N 439.317 2.164 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCC=C)CC1 1300699996 KHSTYNSBNXGTNK-FQEVSTJZSA-N 425.558 2.465 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300807672 CYYJGOVAXSZRJA-PGRDOPGGSA-N 445.564 2.282 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300848182 BLVFCCOTPYZWJE-CABCVRRESA-N 426.359 2.432 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1300863141 JCNHFSWYYFSOGY-RBUKOAKNSA-N 447.580 2.331 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)N1CCOCC1 1300889950 DNTUKUIYTAWIKF-WIYYLYMNSA-N 445.589 2.207 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1300974746 NSYKAVVHLBTATC-GOSISDBHSA-N 441.532 2.366 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCN(C)C1 1301337961 ONNKXUSLJCYTTJ-YKSBVNFPSA-N 441.576 2.440 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(Cc1c(F)cccc1F)C1CC1 1301475064 LCPUWPSBOZQYTA-UHFFFAOYSA-N 432.475 2.166 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(=C)C 1301502494 JLFFDIXDTAJOTG-KRWDZBQOSA-N 448.568 2.291 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301507342 ZUWLAMUISXBQNW-ICSRJNTNSA-N 425.533 2.185 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCOCC2)C1 1302978993 FZYXJACSTIMLGM-HXUWFJFHSA-N 432.887 2.289 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1313642693 JIBBUVUORQHHQC-HNNXBMFYSA-N 429.525 2.250 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)CC#N)CC1 1313931317 XNAMDZCTBMVMPH-IRXDYDNUSA-N 430.626 2.398 30 10 IEEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CCN(C)C)CC1 1316057627 HUSNONMUFPRNKX-UHFFFAOYSA-N 425.581 2.173 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H]2CCCO2)C1 1325278963 OSRITLNIONWBQN-DLBZAZTESA-N 436.516 2.152 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN(C)CCOC)c1 1358901270 FPXQEMNEJYIHFX-UHFFFAOYSA-N 426.565 2.210 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC)c1 1358902743 XULOKFQHWKSVHT-SFHVURJKSA-N 443.573 2.427 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358959529 KYUSBRGMPGENND-ZWKOTPCHSA-N 442.541 2.273 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1359009229 KVTUIJQYXOHATB-IAGOWNOFSA-N 430.553 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cc(C)nn2C)CC1 1359042251 XYNNJZLIYMPGPT-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1359070855 WTHMELDRLZHPNU-FXAWDEMLSA-N 449.602 2.021 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359219501 SDUWMUSBLRLYDD-IBGZPJMESA-N 427.553 2.085 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359225536 BSAAVXQOKIEWBG-SFHVURJKSA-N 435.536 2.223 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1359298700 JAJZQEBCVFSSGS-HZPDHXFCSA-N 435.532 2.212 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359299684 KYVJQOJTSDKOQN-QGZVFWFLSA-N 441.532 2.054 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359326625 GBQHZUPCQJHYOF-AXVVYFOYSA-N 426.583 2.165 30 10 IEEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 1436885094 PPLVYPUPYYRXKR-UHFFFAOYSA-N 425.919 2.224 30 10 IEEE C=CCn1cc(CNC(=O)c2cnn(-c3ccccc3)c2I)nn1 1436929641 DQLARMJMHCHVQD-UHFFFAOYSA-N 434.241 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2C(=O)COc3ccccc32)CC1 1442643500 DELCFDDSFVWQNE-UHFFFAOYSA-N 427.501 2.179 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)OCC)c2ccccc2)ccc1F 1455920933 KENOEJNKUWVJSF-OAQYLSRUSA-N 434.489 2.498 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 1464274437 VFOZTJKYKBNDNB-LTXLMFNASA-N 426.498 2.313 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)cc(OC)c1OC 1464575752 ZUIUWPMRRGYVEH-RDBSUJKOSA-N 432.395 2.377 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1469398685 UTDGLFTVYKEOAS-YOEHRIQHSA-N 435.546 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)CO1 1473847292 ZDSHBTFPIQFDRZ-RBUKOAKNSA-N 437.581 2.454 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1479071159 PMLCTLXIPMRADQ-HKUYNNGSSA-N 427.549 2.100 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1504812997 JOTRXZFAYFFZBZ-HXUWFJFHSA-N 449.563 2.255 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)OC 1504989048 KZFUEWRSDMREJV-QGZVFWFLSA-N 443.552 2.020 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCCC)CC1 1507572166 AMCLYYFMTROTLU-UHFFFAOYSA-N 437.548 2.472 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCCCC2)CC1 1507716951 XBDVLJWXZBVEBR-UHFFFAOYSA-N 428.581 2.009 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1507760378 ZLGUJLVFGSHMSU-GOSISDBHSA-N 432.594 2.224 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507869775 XKWVEZJKDPJSGQ-LIRRHRJNSA-N 440.928 2.170 30 10 IEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507938170 ZMNNTELGISFRHE-GOSISDBHSA-N 425.537 2.306 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507962251 OVXKXDCLZVXZEX-GHTZIAJQSA-N 430.597 2.127 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@H](C)C2)cc1 1508095967 AEHCOCMFWBGXPU-SJORKVTESA-N 449.577 2.117 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1508107987 GXYZTHBXLTVJIY-UHFFFAOYSA-N 433.578 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1cnn(C)c1 1508136571 UOAZLGAZQROJKS-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](OC)C1 1508144207 RSRRJBFZBOSHJZ-IBGZPJMESA-N 434.562 2.382 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508837444 BBIWPQCUJMBUGE-RXVVDRJESA-N 431.562 2.237 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1509945667 OCHPFALUOKHITH-HNNXBMFYSA-N 427.534 2.171 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)C1 1510292718 PBVWCBHVQLZHQB-SIKLNZKXSA-N 427.505 2.320 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 1516978780 DHAZXNFVPHGHFA-JXFKEZNVSA-N 431.541 2.320 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1518272744 HFVTYJUGGZOFSO-WMZOPIPTSA-N 443.504 2.323 30 10 IEEE N#CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccn1 1527052831 QOPYGINFZHAWMX-UHFFFAOYSA-N 430.394 2.311 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)ccc1F 1530070228 BGMCTOHBQKTMIO-UHFFFAOYSA-N 433.461 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](C#N)C1 1534303724 AYDQKHNSJMWPOE-ZFWWWQNUSA-N 434.443 2.289 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1538487379 UDNSOKPVTZVBCH-KRWDZBQOSA-N 440.338 2.165 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1cc(F)ccc1N1CCOCC1 1538972223 JUSPNJXVWKQPBN-QZTJIDSGSA-N 445.539 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC)C1 1539002206 QZKQKQLIFSOLMF-SJORKVTESA-N 429.594 2.038 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCOCC1 1539249829 DIQLJIYZYZURTR-UHFFFAOYSA-N 429.883 2.059 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN(C)CC(F)(F)F)CC1 1539470103 YCKZBMLXQBMEGD-HNNXBMFYSA-N 428.503 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(CC)CCOCC2)CC1 1539488647 CKXWVWKIVRPQBZ-LJQANCHMSA-N 429.565 2.302 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1539526441 OVPXMKDDVDOPOC-SSEXGKCCSA-N 445.614 2.141 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](NC(C)=O)C1 1539614659 BBGMYIYEBRQELC-HOJAQTOUSA-N 446.596 2.283 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1539624315 SAYONUPIMBZFNO-RBBKRZOGSA-N 438.576 2.184 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539912128 DGAQQMHSKPWMHP-QGZVFWFLSA-N 438.536 2.104 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1540005622 MPVHFJZESRSGNX-DLBZAZTESA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1540019067 AMGSBXZXMFWKLJ-TZIWHRDSSA-N 432.613 2.373 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1540912903 FFIIXCDOEILBEW-HNNXBMFYSA-N 426.546 2.336 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1541744943 WNKMWQURIQXWBJ-NHCUHLMSSA-N 441.532 2.252 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)ccc1OC(F)F 1542978023 FJTLFDKAUDNNSS-FYWRMAATSA-N 430.205 2.307 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)c1 1545301303 FFPBZPFVTKBDIY-HXUWFJFHSA-N 443.500 2.086 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1558110256 DUXGTPLPGOETHX-ROUUACIJSA-N 444.557 2.166 30 10 IEEE N#Cc1ccccc1NC1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 1560035995 NNPLFWWNMOWSNS-UHFFFAOYSA-N 427.530 2.111 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1565298289 DWSHFUBVIUKOAU-PSASIEDQSA-N 448.332 2.309 30 10 IEEE C=CCC[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OCC 1569184506 PMDRGNVBHQCFQU-HNNXBMFYSA-N 432.336 2.378 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCN(O)C2=O)CCN(Cc2ccccc2)CC1 1569560210 HQQBINBQQIKJIV-GOSISDBHSA-N 446.548 2.042 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4CC[C@H](C(F)(F)F)NC4=O)CC3)n[nH]2)cc1 1583847905 IBZMYTQIRBJCQS-DOTOQJQBSA-N 446.433 2.054 30 10 IEEE C=CC[C@H]1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1586894209 JYAPIRFUAFFPDX-HNNXBMFYSA-N 425.507 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1587620486 GGETYSGIVNZZFL-INIZCTEOSA-N 430.516 2.109 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587650693 FUTJHFGDJNCZDJ-RBUKOAKNSA-N 431.544 2.390 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588074373 MFYAJMWUBXDLOD-WBTXTPOCSA-N 438.594 2.037 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588075160 ZHICWZLXLKPCGR-UGNRZPKXSA-N 436.578 2.104 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(F)(F)F)CC1 1588930367 ULDXHTUWYPYPPT-KRWDZBQOSA-N 449.433 2.319 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1589151180 TYUVGYZPJOHJHV-RRMPHLOHSA-N 449.552 2.407 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1589528949 JWVWIGMBHMWOBN-AOIWGVFYSA-N 433.578 2.499 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1589664322 XWFWVDQUUSBOTM-ZACQAIPSSA-N 429.562 2.152 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1595705606 BWISHQGIHUIMOA-RTWAWAEBSA-N 439.608 2.395 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1597448672 FJFFHYFQKLBOLI-ZWKOTPCHSA-N 444.536 2.426 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 1611572584 BYAYLIXUHVQBJG-QFIPXVFZSA-N 441.553 2.297 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1619462635 LKXWCWPGIQTOJU-JLTOFOAXSA-N 430.509 2.300 30 10 IEEE COCC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619800819 GZSMIUNOWIYSDQ-XGIGFIBQSA-N 436.516 2.334 30 10 IEEE CN(C)C(=O)c1ccc(OC2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)nc1 1620378135 CRDJAYHVIUBQMB-FQEVSTJZSA-N 438.528 2.133 30 10 IEEE C=CCn1c(SCC(=O)N2CCS(=O)(=O)CCO2)nnc1-c1ccc(Cl)cc1 1627906420 NVKZWGYGONJLDM-UHFFFAOYSA-N 442.950 2.065 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 1631964599 QDERNZNBQRLZEG-SFHVURJKSA-N 449.330 2.189 30 10 IEEE C[C@@]1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](O)CN1C(=O)OCc1ccccc1 1633611336 MYYTYVNMKCMOBI-CVDCTZTESA-N 446.467 2.240 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@H]2O)c1 1635634413 VIAHDZYVIZXSMO-IEBWSBKVSA-N 436.917 2.211 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)c1 1639556408 LHSWKQNWKKJROT-OAQYLSRUSA-N 430.508 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)n2)CC1 1641348549 FHEWEXYPDMBIOQ-DLBZAZTESA-N 437.504 2.476 30 10 IEEE N#Cc1cn(CCC(=O)NCC2(c3ccccc3Br)CCC2)c(=O)nc1O 1641923157 DOKPZFOCILYABN-UHFFFAOYSA-N 431.290 2.211 30 10 IEEE COCCOc1cccc(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1 1654530679 FECFQDUONLMNRT-UHFFFAOYSA-N 434.290 2.437 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1674734099 HVKOXOUXOAMFFV-ROUUACIJSA-N 428.533 2.284 30 10 IEEE COc1ncc(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1C#N 1680428211 ABIIBPTVIPEHSJ-CABCVRRESA-N 441.410 2.042 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@H](O)COc3cccc(F)c3)CC2)c1 1682384456 FWXOOYNASPAKNW-OAQYLSRUSA-N 426.492 2.401 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)CC2)cn1 1683315899 CUVOWIKWICEGHY-GOSISDBHSA-N 442.882 2.383 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1686543832 ZXSBZNJGEGSINA-MJGOQNOKSA-N 435.590 2.343 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1689831629 OFFSFRHMEAHCKB-DVECYGJZSA-N 439.560 2.273 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1689985893 DUYVUZWFASSALX-MRXNPFEDSA-N 442.932 2.064 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689986343 NPKAOZLUTQSHFR-LJQANCHMSA-N 428.558 2.307 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1689990531 PNZLIUGWXGRDCO-KRWDZBQOSA-N 436.969 2.113 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F 1690047552 UAQGGMUNKQHTCY-MRXNPFEDSA-N 432.496 2.164 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCOCC1 1690089654 JBZWALFVBGZNLC-SFHVURJKSA-N 437.523 2.178 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1OCCC1(C)C 1690101114 OOFUUUJFWDIDNG-SFHVURJKSA-N 436.516 2.495 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(OC)cc1 1690102206 FPWXORUJYNNTNR-IBGZPJMESA-N 425.533 2.302 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1690148408 FYRSRECRWVPSJB-GHTZIAJQSA-N 438.576 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1690245548 JUVBLXQDYVOKAV-HCXYKTFWSA-N 438.594 2.023 30 10 IEEE C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1692712554 CQKDSAVCAJDULW-IRXDYDNUSA-N 425.585 2.194 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)cs1 1693353295 QTAYWQZUWFPYMH-UHFFFAOYSA-N 434.591 2.341 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1)C(C)C 1697191626 HYHUFFGODGDSEF-AQNXPRMDSA-N 429.521 2.250 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C(C)C 1705491312 BCFJZWDYYCLFBT-GOSISDBHSA-N 438.580 2.072 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705647181 AHDNCEKZJXCJHY-LTMIRXACSA-N 431.581 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1705648374 SFNXXKPVUNEDLG-KRWDZBQOSA-N 440.548 2.082 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705702298 GRFPSTJSQXNUNS-HBFSDRIKSA-N 439.564 2.459 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705760334 HHUDOBOFVBARIW-LJQANCHMSA-N 427.933 2.350 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1705799435 WTEQYXVDSOVXBM-FXAWDEMLSA-N 426.583 2.252 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1705917787 ZKXPOWOUWZWLSM-OTWHNJEPSA-N 437.610 2.387 30 10 IEEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1706459215 FDTNVJKZEIOIQB-JOCHJYFZSA-N 443.573 2.381 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1710329485 CJLVEZXPMZTSHX-IRJFHVNHSA-N 439.539 2.213 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1711302790 MJMJXADUIUWJKF-AWEZNQCLSA-N 436.472 2.048 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)C 1711681486 FHWCHPFZASSIKV-HNNXBMFYSA-N 432.912 2.251 30 10 IEEE COCCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C#N)o1 1712456621 LTQAIKZYKPNEEZ-UHFFFAOYSA-N 449.471 2.206 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722305531 AXESMZDKFAUGGQ-UHFFFAOYSA-N 439.520 2.455 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722366371 IEJZBOHQVSIXEL-WOJBJXKFSA-N 426.542 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1C 1722388937 BDYNNDWJUGWBBW-RBUKOAKNSA-N 443.573 2.127 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1722439909 UGYADJUBDVCEHW-VXKWHMMOSA-N 435.620 2.387 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)CC1 1722529680 ZCEQOUJZMWMMPL-UHFFFAOYSA-N 437.342 2.297 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCCC)C1 1722716752 XPNPHKNHVXYJCI-QGZVFWFLSA-N 427.505 2.024 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1723777960 CHGPGBUFDJYLRE-HHXXYDBFSA-N 448.568 2.361 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](COC)C2)CC1 1728601633 HJKYOBFNLZSUKL-FPOVZHCZSA-N 437.592 2.315 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)C1 1731182725 UWXBFESQJXLCJY-HNNXBMFYSA-N 431.781 2.114 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1740603951 LGVMCHLPLPZAED-INIZCTEOSA-N 432.546 2.247 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CC[C@H](C(F)F)N1CCOCC1 1740611473 GPKPJOSIOKMLHD-GOSISDBHSA-N 433.503 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(OC)CCOC1 1740646646 HFBNYQWRFPGTMG-HXUWFJFHSA-N 446.349 2.315 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1740671828 PONFMPDYZWLBAV-ICSRJNTNSA-N 445.589 2.183 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC(F)(F)F)CC1 1740693389 XHUBGGNDNLZPID-LJQANCHMSA-N 429.487 2.416 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1740715447 JGRJGPHWCKMUII-NVXWUHKLSA-N 445.593 2.394 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1740888230 RKDXWTZKAOATLZ-AVRDEDQJSA-N 427.505 2.085 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1740952871 PUBVOHFSCISXKV-HZPDHXFCSA-N 445.495 2.249 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)C1 1740973257 TXHBQAXFQABDTJ-GCJKJVERSA-N 429.521 2.163 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1COCCO1 1741126375 RQYSPQIMMQHQAC-DZGCQCFKSA-N 437.342 2.447 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1C 1742249361 BPHMOHAVHVTCDX-AVRDEDQJSA-N 442.495 2.395 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CC1 1747372397 OSDPHVMJFLZNMF-UHFFFAOYSA-N 448.575 2.374 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(F)(F)F)CCO1 1748207684 KPALMMOSZVQWSZ-HNNXBMFYSA-N 436.438 2.356 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1748935127 OIQFWIIFSWUTPP-OAQYLSRUSA-N 449.603 2.071 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1748999434 VSMHKWDUBBJAKN-UHFFFAOYSA-N 434.544 2.179 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCOCC2)CC1 1749016401 DCIUVPKABSUVAK-UHFFFAOYSA-N 439.535 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCCCC2)CC1 1749019097 KTPLBMYHVGSEDW-PZJWPPBQSA-N 442.608 2.217 30 10 IEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1749264584 AJKNKDQPWOYOBD-AWEZNQCLSA-N 441.923 2.036 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1749347975 ILENIMJZJBJVGB-HXUWFJFHSA-N 443.640 2.077 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749363349 BAYOGDLFPOYQEV-VGSWGCGISA-N 427.553 2.317 30 10 IEEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749421330 PVUMWZGRWPIFAP-UHFFFAOYSA-N 436.520 2.363 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)cc1 1749685922 NIPICYBABJXABD-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760154689 YAHFFIOPBWCQFP-FQEVSTJZSA-N 443.498 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=C)Br 1760200851 VCRCSLQQFHRZDC-UHFFFAOYSA-N 437.301 2.173 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=C)Cl 1760243682 DFZVJRLPFJXBGK-UHFFFAOYSA-N 436.969 2.385 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCOC(C)C)CC1 1760269239 BZGNPSNCDFGHQE-HXUWFJFHSA-N 431.581 2.343 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)Cc1nc(CCOC)no1 1760309608 BWBUWOZBGKZUBQ-UHFFFAOYSA-N 448.325 2.381 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760349868 FVPBQKHVZULPHC-KRWDZBQOSA-N 443.621 2.343 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1760448439 CNPGJTAURLWXRS-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760516018 VGQNUYTVCMKRIV-KGLIPLIRSA-N 439.969 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)C1 1760542318 LKYZWDAVZCHGAS-ZBFHGGJFSA-N 432.912 2.138 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)C1 1760545567 WQTWYJMAYARMKR-ROUUACIJSA-N 431.562 2.397 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1760845701 UHKKJMXWICSVHI-GOSISDBHSA-N 437.548 2.071 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1761356425 HEHZLLRWUFUXCB-HNNXBMFYSA-N 434.508 2.030 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1761363332 LZMJLZJYZQJODH-GDBMZVCRSA-N 445.545 2.474 30 10 IEEE CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1762155238 GSKYBGDFPKSCMN-AZUAARDMSA-N 445.612 2.247 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C#N)C1 1766114427 URSQTNWXYDRJII-RTBURBONSA-N 431.585 2.190 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCCOC4)n3CCOCCCO)CCO2)c1 1770736125 UDCGHCDCINXPPO-SFTDATJTSA-N 441.532 2.021 30 10 IEEE C[C@H]1CN(CCN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1771505069 DLHIFGIJAOWKDQ-HDICACEKSA-N 435.532 2.322 30 10 IEEE COc1ccc(-n2cc(CN3CCN(CCOc4ccc(C#N)cc4)CC3)nn2)cc1F 1850929073 FCVSZQZYVNCOBM-UHFFFAOYSA-N 436.491 2.483 30 10 IEEE COc1ccc(-n2nnc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)c2C)cc1Cl 1851423500 YWIAJFHCUMLDOG-OAHLLOKOSA-N 440.847 2.482 30 10 IEEE C=CCOC(=O)[C@H](CC(=O)N1CCN(Cc2ccccc2)S1(=O)=O)c1ccccc1 1851655798 NGMXTAZGTVAQAV-HXUWFJFHSA-N 428.510 2.479 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)C[C@@H]2CCCO2)c2ccccc21 1853908290 LQEBRTYKDZKSDD-INIZCTEOSA-N 425.466 2.196 30 10 IEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1870156514 QXMTYSBHGDRSJA-UHFFFAOYSA-N 436.344 2.166 30 10 IEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870903985 CBKHXYAHIJBGHW-UHFFFAOYSA-N 432.473 2.232 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2009956030 FJMKWXCVUCBKPH-KBPBESRZSA-N 442.513 2.058 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2011735812 VMNOWLZAOBETKT-DGCWBMGLSA-N 441.525 2.330 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247836353 AXPOYADCYGXGJC-LLVKDONJSA-N 442.753 2.016 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2247841410 WMUDVZADDAQVBJ-HOTGVXAUSA-N 425.363 2.303 30 10 IEEE C=CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CN(C(=O)OC(C)(C)C)C1 2247918013 HMZRDHBOOYYCRO-UHFFFAOYSA-N 435.355 2.348 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]1NC(=O)OC(C)(C)C 2247920473 YZQCEWDZABLXBT-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2255628716 LVPNTMCPHQBWTI-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628810 NHJDOMFDPQKVEV-AWEZNQCLSA-N 436.362 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2255813717 VTNMCUBVBRQQDP-RCDICMHDSA-N 429.326 2.120 30 10 IEEE CCn1cc(C(=O)NCCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815960 WOAQBXUKPQYXPB-UHFFFAOYSA-N 436.362 2.237 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255833098 XDAGIRGKUDUWKZ-UHFFFAOYSA-N 434.346 2.038 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CNC(=O)OC(C)(C)C 2255833886 JBYASIDCDXQQGQ-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)COC1 2256677734 ZDHMUSQPMKTCAM-UHFFFAOYSA-N 436.289 2.357 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090330 LACJZVACBSOPGK-HUUCEWRRSA-N 448.373 2.426 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267166783 XGHOILFCUWMCJJ-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n1 2267495253 ZENLUFORIGOWBH-HZPDHXFCSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267517020 MKRQMNOACQLZBL-LSDHHAIUSA-N 446.357 2.038 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)o2)OC1(C)C 2267557348 NEAPDVITVYMYPH-AZUAARDMSA-N 438.333 2.304 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268646614 KLUWQOMKKYYCSI-QRQCRPRQSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268715004 FGZMPCHCWQAUTG-MRXNPFEDSA-N 446.353 2.008 30 10 IEEE Cc1cc(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273767246 YDOMABRXOJCGGP-GOSISDBHSA-N 448.369 2.186 30 10 IEEE C=CCC1(CN)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2287686813 UQCBTSKEVSHRBA-UHFFFAOYSA-N 433.574 2.400 30 10 IEEE C#Cc1cccc(N[C@H]2N=CN=C3C=C(OC)C(NC(=O)N4C[C@H]5CCN(C)[C@H]5C4)=C[C@H]32)c1 2295038595 HJXSISWJKLMCHI-SRBYMVNNSA-N 444.539 2.278 30 10 IEEE COc1ccc(OC)c([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCOCCO)c1 2296157205 SBUHKBBVMCMBFF-SFHVURJKSA-N 433.482 2.196 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 2296621189 WIPPJOWVTOZNNO-HXUWFJFHSA-N 426.517 2.419 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC[C@H]3CCCO3)C(=O)[C@@]12C 2297591231 LUQKZWLXWNRWMZ-ZLOXQWCVSA-N 427.453 2.337 30 10 IEEE COc1cc(C=Nn2c(Cc3cccs3)nnc2SCC(N)=O)cc(OC)c1OC 2330366622 UFMNGLKXICZMBL-UHFFFAOYSA-N 447.542 2.416 30 10 IEEE NN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(Br)cc1I 2342534584 PCCWEXSZORKXFI-RFVSLCSESA-N 433.087 2.454 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343640178 FJWYZJKBMANTSD-RDJZCZTQSA-N 449.332 2.410 30 10 IEEE Cn1nc(I)cc1[C@@H](O)[C@@H](N)C#Cc1cccc(Br)c1 2360925477 IQSCZIHGFZLMLX-FZMZJTMJSA-N 446.086 2.200 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3OC)n2N)c1 21319695 PTBGKUJNPZBFKE-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE COc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 22945623 XRBGPHXQDBJUGJ-LBPRGKRZSA-N 427.482 2.417 30 10 IEEE CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C2=C1CN(CC(=O)N(C)CC#N)C2=O 34793340 NGKFEYDTCXJMRQ-KRWDZBQOSA-N 436.299 2.158 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccco1 72461181 KGAMUZOPYJPTOE-SUMWQHHRSA-N 433.424 2.360 30 10 IEEE C[C@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)NC(=O)NC1CCCCC1 96482118 SIHKKEGGBDZRRY-SUIFULHWSA-N 447.454 2.434 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)CCC(=O)ON3C(=O)CCC3=O)cc2C1 101096442 WZVJNWFAQXSIHC-UHFFFAOYSA-N 431.445 2.263 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(N3CCc4ccccc43)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 101422861 DQZXRODKJFWRBM-KXBFYZLASA-N 441.447 2.459 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccccn1 170179923 IKMHXAVWKBCBRN-OAQYLSRUSA-N 436.512 2.440 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Cc2ccccc2I)CC1 433728159 LJBQXXDBSAQJDG-UHFFFAOYSA-N 432.265 2.449 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(C2CC2)nc(SC)c1C#N 439950404 ZZDDVEWWWVQDSU-QBPKDAKJSA-N 429.498 2.118 30 10 IEEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446629916 WVLVEIWGGRDGGA-JEVOJNTISA-N 430.505 2.395 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCc2ccnc(O)c2C1 460554427 ZGXZQSKRBYTJRP-UHFFFAOYSA-N 439.545 2.478 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)CC2)c1C#N 472679420 USSYPUUTIGVDDM-UHFFFAOYSA-N 444.495 2.454 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN(CCC(=O)N(C)C)CC3)c2C#N)C1 473204154 FMUFFCBAPWOAGR-MRXNPFEDSA-N 431.606 2.169 30 10 IEEE Cc1sc2ncn(CCC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(=O)c2c1C 486020522 USOQMFKGSWDWKV-GOSISDBHSA-N 449.536 2.254 30 10 IEEE N#Cc1cc(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cnc1C(F)(F)F 495294231 GXWPMLMCXDHLIU-ROUUACIJSA-N 443.429 2.301 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@@H](NC(N)=O)c2cccs2)cc1 502442584 QDKDJPJFFOCYSU-HUUCEWRRSA-N 429.527 2.259 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 504092439 NQNBXRJCNBFWAY-NRFANRHFSA-N 437.562 2.392 30 10 IEEE Cc1cc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)nn1-c1cccc(C#N)c1 506358317 TULUDKZJIHFCEC-UHFFFAOYSA-N 434.544 2.069 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 508121072 RDXAJVJXNOZYLW-NRFANRHFSA-N 448.523 2.245 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508474403 UAFPMIONSMOMOT-UHFFFAOYSA-N 445.531 2.089 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC1 512710779 ZQKHRFDPSUNWNK-UHFFFAOYSA-N 435.450 2.260 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n([C@H](C)c2ccccc2)c1=O 560429275 DTTCUVYZWZJQBT-MRXNPFEDSA-N 432.549 2.433 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1C 614904372 KIOCVOZHDPPCPP-QGZVFWFLSA-N 426.538 2.134 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 670204483 WMSAKPMMJGFHCM-IBGZPJMESA-N 444.605 2.325 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 725764450 VJIPTFUJMAAXOM-UHFFFAOYSA-N 449.916 2.236 30 10 IEEE C#CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 729333237 SNHYGGJXKJSUGK-CQSZACIVSA-N 436.584 2.083 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3sc(C)nc3C)c2=O)cn1 736585626 VJRINBGADVLPTA-UHFFFAOYSA-N 439.566 2.061 30 10 IEEE COc1ccc(N2CCN(CCNC(=O)CCc3c(C)nc(O)c(C#N)c3C)CC2)cc1 742927099 IDWOOUWCIQRVTN-UHFFFAOYSA-N 437.544 2.155 30 10 IEEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 743111225 VPBVVURTXZVKKM-KYLWWAFNSA-N 449.577 2.364 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@H](C#N)C1 754388301 HDUMHLRXLQUPRM-SUMWQHHRSA-N 434.443 2.289 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cc(C)ccc2F)C1 760322329 WYAACOYWBVYCIY-BBRMVZONSA-N 435.525 2.006 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 768536448 XJHCHRZNMIMDGT-HNNXBMFYSA-N 435.546 2.086 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCSC)c2=O)cn1 781659456 CHLHBESQTWIDNS-UHFFFAOYSA-N 430.599 2.142 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 815477311 FAYVSGWBGDVDRI-NEPJUHHUSA-N 427.379 2.319 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 816311956 DPINODNXQKQADJ-QFIPXVFZSA-N 433.516 2.002 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Br)cnc2O)ccc1F 920351456 IFWHLKJDTXRZMU-UHFFFAOYSA-N 430.255 2.405 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4ccc(C(N)=O)n4)cc3)CC2=O)cc1Cl 1125632017 FLFBJJHIFDAYFR-AWEZNQCLSA-N 448.870 2.488 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F 1129735479 NYZVPQSIYVTTHJ-SFHVURJKSA-N 432.433 2.075 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(Br)cc(N)c3N)C2=O)cc1 1138181606 XLCRNMQLCFMWQM-INIZCTEOSA-N 428.290 2.411 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccccn1 1141422444 PUCSIELWYYKVSN-KRWDZBQOSA-N 429.274 2.182 30 10 IEEE C#Cc1ccc(C(=O)N(CC)[C@@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 1147558386 CRDINUJIOKYGIX-KRWDZBQOSA-N 428.533 2.383 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(N(C)C)ccn1 1155459350 CWFWSGCPNUGETN-GOSISDBHSA-N 429.546 2.061 30 10 IEEE Cc1cccnc1NC(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1161010878 DBNGJEKNSFPVSC-HNNXBMFYSA-N 425.876 2.413 30 10 IEEE N#Cc1cn(CCC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(=O)nc1O 1161120826 GGEJCXDRZHCAEP-MRXNPFEDSA-N 426.864 2.494 30 10 IEEE C#C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)[C@H]1CCCO1 1226724443 JCQGOGWIYAQXLO-ORYQWCPZSA-N 433.574 2.096 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)C1=O 1270493000 CQFIMWBPWVWQLQ-RTBURBONSA-N 431.533 2.376 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286341086 BGEUQHIENFOFPF-HZPDHXFCSA-N 436.607 2.451 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286385579 XWLXWFITGKHCSF-SFHVURJKSA-N 432.546 2.059 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1286396955 ZBNBHXLGMIHJRS-AVRDEDQJSA-N 446.548 2.204 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1286518581 HFLLESZTCSVOJD-FOIQADDNSA-N 435.525 2.099 30 10 IEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1286535776 SHTYRRRTBFTSDR-UHFFFAOYSA-N 432.731 2.137 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286622014 QQZBRALCKJKXII-UHFFFAOYSA-N 436.347 2.147 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286667902 VBKNQXGEJDVLFQ-UHFFFAOYSA-N 442.543 2.372 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1cccc(F)c1 1286791255 WQELIFCDLNETPS-GOSISDBHSA-N 426.496 2.183 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(N)=O)c1 1287431990 HDRWFUSANBQMSE-UHFFFAOYSA-N 431.500 2.159 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1288524283 BDKYXGIRMPXVDS-KUHUBIRLSA-N 433.472 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)[C@@H](C#N)C1 1294435940 KFLLKNOJENULGX-HNNXBMFYSA-N 427.505 2.418 30 10 IEEE COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(CC#N)C1 1296599818 DKOFGTRIKSYPET-QFIPXVFZSA-N 449.507 2.417 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCC1 1298691937 XQSAITMRCGANSB-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300310672 YMHRYODPVNIIJN-YESZJQIVSA-N 429.487 2.283 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NCC)CC1 1300352332 JYNIWZFTBJGVNS-UHFFFAOYSA-N 438.532 2.371 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1300409488 IFINVUMTDDCYGJ-QGZVFWFLSA-N 431.537 2.059 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CC)CCOCC1 1300519775 BJPWHYNNMRAEGI-UHFFFAOYSA-N 430.516 2.200 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1c(CC)nn(C)c1OC 1300537782 JYHQHUPSYBNXJG-OAQYLSRUSA-N 446.511 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(C)C2CC2)CC1 1300721924 DGOZKBORCDUVSO-GOSISDBHSA-N 426.565 2.021 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)C1 1300892830 VRIMFNXGXABMMO-AVRDEDQJSA-N 425.533 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)C1 1300898742 ZZCXXFUKKSSEPH-GCJKJVERSA-N 425.533 2.425 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 1301009792 DAMSNMOIVKTTCM-UHFFFAOYSA-N 438.576 2.272 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCCNS(C)(=O)=O)CC1 1301134509 LHWCMBZWNLBSFS-UHFFFAOYSA-N 437.541 2.338 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1301175986 MUSQQVCRIZRSOH-SFHVURJKSA-N 431.562 2.420 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301245289 HBJMREIDLFETCK-QFIPXVFZSA-N 442.520 2.254 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1)C1CC1 1301326500 AXQGCTUOFDDFTA-LJQANCHMSA-N 429.590 2.445 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 1301334530 OQQGGNIPNAQKJP-HXUWFJFHSA-N 441.532 2.131 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1301587761 SLVVKJGAJGRCTE-UHFFFAOYSA-N 434.562 2.498 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1301613492 ZBJIEFUXUGBCDC-INIZCTEOSA-N 427.640 2.066 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)N(C)C 1303887188 GKUQCILCQOHJRX-GJZGRUSLSA-N 438.529 2.187 30 10 IEEE C[C@@H]1CCC[C@H](N(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1304987724 GSOQAXCBILJOIS-QZFCYZPVSA-N 428.537 2.323 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1C 1308080466 YVIQPKQLLSFFHV-NRFANRHFSA-N 443.573 2.145 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)C1 1309997044 XUCCTRCUVYQQCJ-GOSISDBHSA-N 448.589 2.479 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1313585138 AMACVAWXTFALTP-GOSISDBHSA-N 431.562 2.381 30 10 IEEE COc1ccccc1OC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1315647516 GYIHFAKALNGFAU-FUHWJXTLSA-N 437.504 2.131 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(C(N)=O)CCOCC1 1358883352 SYLRYWUHMZDVKM-AWEZNQCLSA-N 446.349 2.448 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358954360 FUBJTMDVHKEPAF-XLAORIBOSA-N 431.537 2.223 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358968633 TUJFEBLXROCLJX-IBGZPJMESA-N 446.555 2.322 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359053382 LIAGBJMYKIANEH-NRFANRHFSA-N 427.530 2.351 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(CC(N)=O)CC1 1359078133 UAJRALVOFBVYSP-ZDUSSCGKSA-N 430.347 2.003 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359201798 ABCXCZCOCUFXHR-OAHLLOKOSA-N 442.486 2.480 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359205916 OGSCEBOINLPGIR-OAHLLOKOSA-N 437.591 2.249 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359221985 VNBORQNJPNANMR-HSZRJFAPSA-N 440.548 2.442 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1359235878 QTBBYJIQUZEIHZ-XUTLUUPISA-N 438.488 2.111 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359304402 XESDQPHJMUUFQD-LIMIJEPZSA-N 439.560 2.373 30 10 IEEE N#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCCC1 1438859341 JKRGFNLUDHTUGN-SFHVURJKSA-N 433.530 2.057 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCc1c(C)nc3c(C#N)cnn3c1C)CCS2 1463272710 AXNBRDROLDAFRZ-YSJWXEPDSA-N 441.557 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCN(c4ccccc4C#N)CC3)CCC2)C1 1464681617 AFONDFHLIIZRGZ-UHFFFAOYSA-N 440.544 2.359 30 10 IEEE CCOC(=O)CN1CCCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1465666850 MBJDJADGOYVUAX-UHFFFAOYSA-N 430.354 2.005 30 10 IEEE Cc1ccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1469485563 JWUSYNUYQROTAZ-HXUWFJFHSA-N 427.526 2.431 30 10 IEEE CS(=O)(=O)NCc1ccccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1471343162 WWACMPZOFUOSQM-UHFFFAOYSA-N 435.527 2.066 30 10 IEEE CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1473904959 BFIYFZSOUMCALU-PMACEKPBSA-N 435.613 2.400 30 10 IEEE COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1475201467 HJFAOIWARYUHQD-UHFFFAOYSA-N 431.562 2.417 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507517928 RSKDYOYTWSLUNE-HOTGVXAUSA-N 429.496 2.297 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1507538485 MQQABJMSLLMTBH-YTQUADARSA-N 446.596 2.385 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1507634008 HWFYMMPJPNCSKS-FQEVSTJZSA-N 444.605 2.004 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1ncnn1C(C)(C)C 1507655736 NHKSVPQORFWJBC-UHFFFAOYSA-N 433.516 2.333 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CCc3nccn3C2)n1 1507715784 CWILUAGSJKAUHV-LJQANCHMSA-N 436.564 2.343 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507764525 NBGQZFLJGQXGEX-FOIQADDNSA-N 435.525 2.099 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507781541 BLCWKJLUGVVPBI-ZIAGYGMSSA-N 434.342 2.255 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507912110 DNLUUIGOVJQYSI-KRWDZBQOSA-N 449.625 2.389 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1507925166 ZZXZPEXQASLSES-FSSWDIPSSA-N 439.560 2.483 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C)C1CC1 1507989031 VKYOMSCWXPCUON-KRWDZBQOSA-N 445.589 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H]1CCCCO1 1508072038 BADMLAGVPKPNSU-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCC(C)C)C1 1508094715 ZPFIMUYQZBNRBE-YLJYHZDGSA-N 441.532 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508134789 HLSNAVKKMGULSB-RTBURBONSA-N 446.573 2.417 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCS(C)(=O)=O)C1 1510291337 VLIKERUEWRXMFZ-LJQANCHMSA-N 432.506 2.418 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1515508903 GGAIUBVBOSHIRM-APWZRJJASA-N 430.578 2.170 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C 1515813275 HDVBWZPGYUOUGO-DLBZAZTESA-N 444.543 2.278 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(C#N)o1 1517350871 QSTFBUNCNFLYOQ-UHFFFAOYSA-N 436.497 2.487 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1539115762 BIBZLPBUHKUMLY-SFHVURJKSA-N 440.935 2.145 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC1CC1 1539145474 KYVODFTZHGBJKN-UHFFFAOYSA-N 429.546 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN(C)C)c1 1539232374 AIYJOZWXLWJEJF-UHFFFAOYSA-N 427.512 2.108 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2cccn2)CC1 1539440982 GZBIEAHXPHLVJZ-UHFFFAOYSA-N 435.532 2.004 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539459329 DMZCTTBYALBINM-PZJWPPBQSA-N 434.544 2.157 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCOC1 1540187887 XOSRGZMIBQJHPK-MSOLQXFVSA-N 434.562 2.435 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cccc(C#CCO)c4)CC3)cccc2c1 1540849709 VHOGCJWPPNWHFU-UHFFFAOYSA-N 449.532 2.034 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540866546 RFDGMESYBNTANY-VFNWGFHPSA-N 446.939 2.070 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1544266616 YIFRSIGNKPESQP-VSZNYVQBSA-N 446.552 2.156 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCNC(=O)c3ccc(O)cc3)C2)C1 1545667496 ZLPDPCCRSVRCKL-WCCYLALTSA-N 442.516 2.025 30 10 IEEE CCN1CCN(CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1547734562 IDSSJYLUWSQNTH-UHFFFAOYSA-N 447.591 2.214 30 10 IEEE COc1ccc(OC)c(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1554965405 FGWHKHHAAQLFHL-OAHLLOKOSA-N 434.504 2.029 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2ccncc2Cl)cc1 1556445260 QOLQVSDEGDKUCI-OAHLLOKOSA-N 435.933 2.393 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1593625048 GQFFKACCPAAWFF-HXUWFJFHSA-N 436.560 2.477 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1594569124 ZERURVMWBRRJGI-LJQANCHMSA-N 439.564 2.440 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1594819495 FOKWDGNWKXXWFU-GOSISDBHSA-N 425.599 2.074 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1595308013 SMELWWWZNQOQAX-UYAOXDASSA-N 442.564 2.437 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncccc2N(C)C)C1 1595680084 FZTRCIZYPFQXFT-WZONZLPQSA-N 442.564 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2ccc(Cl)nc2C1 1595785318 WWZLMRNXUMRZMF-UHFFFAOYSA-N 446.964 2.496 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C2CCCCC2)CCOC1 1610902138 HBLDRZYWKDWXET-WTIAFYNJSA-N 447.580 2.379 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O 1611297448 DWKJLFGHZBPFIL-GFCCVEGCSA-N 426.340 2.491 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccccc2C)CCOC1 1616260788 FWAITRICRSXCDL-GCJKJVERSA-N 427.505 2.046 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 1618077571 DSNYANIZAAVHOG-SFHVURJKSA-N 439.512 2.481 30 10 IEEE C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1618501011 QMBCEQCZWTUKOV-HNNXBMFYSA-N 447.377 2.469 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1620024408 IDTDTRBMFGIUHF-VQIMIIECSA-N 429.521 2.007 30 10 IEEE N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c(F)cc1F 1627087066 ARECIFVAFGMHMS-UHFFFAOYSA-N 446.439 2.251 30 10 IEEE C[C@H](CC(=O)N[C@H](C)COc1c(F)cccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1629057794 MXLIFPNNNZIHKY-CHWSQXEVSA-N 437.468 2.366 30 10 IEEE CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1630397141 DPCZISSRMXOYIB-HKUYNNGSSA-N 440.500 2.045 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1630720152 RCOYFFOPLFTITG-CJNGLKHVSA-N 446.508 2.173 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 1631610488 LZQNCSWYJRYATO-CMDGGOBGSA-N 434.496 2.339 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 1631960118 UPULUUKZFHOLCM-OAQYLSRUSA-N 432.929 2.375 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N3CC[C@](F)(C#N)C3)c2C(F)F)C1 1638649343 FTTKXXMUANGFBN-ZMZPIMSZSA-N 428.415 2.475 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CNS(=O)(=O)c3ccc(OC)c(OC)c3)cc21 1639693827 OUALSMSXPFAIND-UHFFFAOYSA-N 430.486 2.157 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)[C@@H](C)O)c1 1642581448 FZRVMBLAZGQBBT-AUUYWEPGSA-N 438.933 2.193 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](OC)C(C)(C)C)nnc12 1648595165 BPGPEZKZMXUFQO-MRXNPFEDSA-N 429.546 2.500 30 10 IEEE C#CCN(C(=O)c1cn(CC(=O)C(C)(C)C)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385038 KIOFRTWQSNTRBT-UHFFFAOYSA-N 431.537 2.368 30 10 IEEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C(=O)OC 1660612808 XQTFORQLMRTTFB-VBNZEHGJSA-N 433.530 2.110 30 10 IEEE C[C@H]1Cc2cc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2O1 1675825575 DQAHREUSLXRXFH-INIZCTEOSA-N 440.525 2.098 30 10 IEEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 1677029156 CUDGBVRAZJWNDZ-GOSISDBHSA-N 432.590 2.004 30 10 IEEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1681447087 TUFFFADUOGLDFH-HOTGVXAUSA-N 431.541 2.262 30 10 IEEE CCOc1ccc([C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C(C)C)cc1OCC 1681924758 DDCADAAYUMDBQQ-LJQANCHMSA-N 443.504 2.314 30 10 IEEE C#CCN(C(=O)N[C@@H](C)CN(C)CCCN(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1687025456 QZKGKJBAQJDAPR-IBGZPJMESA-N 437.629 2.303 30 10 IEEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cc(F)c(Br)cc1F 1687092592 CFYWZMUVDIDKQA-LSYCYVAJSA-N 448.289 2.368 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1689835514 NWZNHUHDNRKVAJ-SJORKVTESA-N 431.562 2.080 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC(C)C 1689947878 NICFRUPRMHGCDG-OAHLLOKOSA-N 439.969 2.469 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689994271 VIZKSVZYIVBNLK-PZJWPPBQSA-N 447.649 2.369 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689996704 MLROIXJKMJAFOP-WOJBJXKFSA-N 442.589 2.123 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690170257 CVDRBDDICUBTGM-CQSZACIVSA-N 443.451 2.140 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1690236915 TXRAKYGPQOFOMK-XLIONFOSSA-N 438.532 2.065 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1690312935 HFPCXCYACIXUGW-IAGOWNOFSA-N 428.624 2.351 30 10 IEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCNC(C)=O)CC1 1690411399 LDQORBFJYQWAFG-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690510987 LUEJWQMLHIXENU-LPHOPBHVSA-N 429.496 2.304 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1690528209 YCBWDEKLVOBRQR-RDJZCZTQSA-N 439.607 2.174 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](C(F)F)N1CCOCC1 1690530364 MEOOJUNMTMXQNV-GOSISDBHSA-N 445.518 2.495 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCOC1 1690567396 BSNVLWQXWXFVSN-SXWKCWPCSA-N 428.533 2.346 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccco2)C1 1690685224 YNAZPAHBQMZAQR-ZHRRBRCNSA-N 438.488 2.207 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1690999440 IPAYAYUOAMBSLA-INIZCTEOSA-N 442.545 2.150 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1692237596 ABVCZWAAQHDESW-IFMALSPDSA-N 437.592 2.416 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1692658890 OMCYJFXOWRRYMQ-HZPDHXFCSA-N 429.550 2.322 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)CC1 1692850491 WMPANOGSUUIIKZ-UHFFFAOYSA-N 429.550 2.171 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1696487047 QUPQLPHYDRKXJE-UHFFFAOYSA-N 432.550 2.309 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCOCC1 1698059586 BMSHWJLVEHLFEO-UHFFFAOYSA-N 447.971 2.471 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1698060779 GXYALSAEVORMNP-IERDGZPVSA-N 433.940 2.429 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)N(C)Cc1ccccc1 1698231035 RILIQGBRNGDICQ-LMNJBCLMSA-N 440.548 2.257 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CCCN2CCCO)c1 1705505398 NJWBMPPTHMAHPW-NRFANRHFSA-N 436.560 2.059 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccccc1 1705552017 HTGHWMMVCIOEFB-DEOSSOPVSA-N 431.544 2.429 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1705569752 GSBVLQDAHKKYCA-LJQANCHMSA-N 439.541 2.149 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)n(C)c1=O 1705678581 HSOHEJCMTKBYGO-SFYKDHMMSA-N 425.533 2.050 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)CC1 1705781784 HVZRPUSAZGQEDS-MRXNPFEDSA-N 447.536 2.360 30 10 IEEE CC(C)(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706153805 YSHGIUTZWDSZGM-SFHVURJKSA-N 441.605 2.412 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706421670 XQEAKQBBXGNFTI-FCQUAONHSA-N 449.559 2.330 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCn2cc(C)nc21 1708758016 VADWGQPDNKXRKE-SJLPKXTDSA-N 440.552 2.008 30 10 IEEE CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710627436 HJUSHKSQPUKQJW-LJQANCHMSA-N 439.564 2.438 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1710835090 VSAVIBNOSVUCPI-VGSWGCGISA-N 427.505 2.149 30 10 IEEE COCCCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1712388304 WTTJDUAUNBLPBO-INIZCTEOSA-N 449.577 2.410 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1CC1 1712557631 UXCUFBVCKIJIMP-QGZVFWFLSA-N 425.537 2.395 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1712884472 MQEPZHCOHIUTKQ-CQSZACIVSA-N 430.394 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1722282386 YSDWYXKPTJQKJA-GAJHUEQPSA-N 443.523 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1csc(COC)n1 1722387010 PSRKVYHQXWRGDP-UHFFFAOYSA-N 432.509 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCSC 1722394338 SEZUEEVZDCWUDY-UHFFFAOYSA-N 430.603 2.454 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)N(C)CC)CC1 1722431865 SZNXDPXBEOZRLR-KRWDZBQOSA-N 444.967 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC[C@@H](F)C2)CC1 1722443810 BKAWBEPHLZWCNA-JENIJYKNSA-N 435.544 2.106 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OCC=C)CC1 1722446898 BATGYGOAIJWAHD-NRFANRHFSA-N 449.555 2.361 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722465623 QAJGTGDNSZOWDT-MRXNPFEDSA-N 431.537 2.420 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(C)c2)CC1 1722566599 VHXJVPWWRLBGPC-IBGZPJMESA-N 449.552 2.263 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722591721 RMEHQMVODVSISP-CQSZACIVSA-N 435.550 2.231 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722622988 XDBVEFGZBISKTC-SFHLNBCPSA-N 432.613 2.373 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1722739362 CRLXTJUPHGGNCP-CQSZACIVSA-N 432.516 2.223 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC(C)(C)C1 1723306941 BELSWLSSWPYAGD-UHFFFAOYSA-N 439.564 2.122 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)C1 1728685158 ZWKXRMFJSCGDPZ-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1729226861 BVKMKERAVWJIDI-DLBZAZTESA-N 446.577 2.150 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1C[C@@H]1C 1730868528 ISIRXERVSWDMMC-WNRNVDISSA-N 440.552 2.035 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1731190734 XCJXFPJMGJZAHH-FQEVSTJZSA-N 427.505 2.320 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1740618230 FJESRRJNUJETNG-GOSISDBHSA-N 445.495 2.489 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCOC[C@H]1OC 1740646822 DFNOSFLTXXRKBL-PGRDOPGGSA-N 438.528 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740753840 ACMHINOXNAFTFU-UNMCSNQZSA-N 438.576 2.137 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1740773758 CSFOWKXNTFNCNM-IBGZPJMESA-N 445.589 2.333 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2nc(C)cc2C)C1 1740970546 NPAOVLFDSMQLMD-IBGZPJMESA-N 427.553 2.199 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741397757 PFKKYZWSRNREHQ-VEGAHXMMSA-N 435.532 2.273 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1741888638 SWVGZRJKUKCYIA-AWEZNQCLSA-N 447.492 2.378 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCN(CC)CC1 1748790171 WIXSCSWSHLGZCR-UGKGYDQZSA-N 438.576 2.134 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1748983979 ISLLGRQTTMDZID-JOCHJYFZSA-N 435.620 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCSC2(C)C)CC1 1749009926 XORCAMOCDYRIOE-KRWDZBQOSA-N 439.589 2.233 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1749454420 FMZIGEBKDMFFDH-IAGOWNOFSA-N 438.532 2.398 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)c2ccccc2)C1 1749721738 SKOGCZLIOZUPRB-IEBWSBKVSA-N 432.546 2.385 30 10 IEEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1750109284 NFLVPYMNRLWPHJ-JOCHJYFZSA-N 448.527 2.376 30 10 IEEE CC(C)N(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1751219686 HKAYVFYMIBMZIA-PXNSSMCTSA-N 439.630 2.137 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752709597 MGNRMESMDNIYID-FWRKBDRZSA-N 441.580 2.383 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(CC)CC)N1CCOCC1 1760171128 VWTYLAGHRHSABQ-LJQANCHMSA-N 442.564 2.212 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1760175679 OZRKKEPZBREYDS-KRWDZBQOSA-N 446.548 2.137 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1csc([C@H](C)OC)n1 1760193483 GNQIFAYODFNOQC-HNNXBMFYSA-N 435.513 2.210 30 10 IEEE C#CCN(CC#C)c1nnc(C(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760193757 PNKJAVDHEVWCHF-GBESFXJTSA-N 427.549 2.499 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1760210627 RTNYFYUKEUVEOY-JTSKRJEESA-N 426.542 2.192 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1CCCO 1760241782 JOHIKDDXRGNWTQ-IRLDBZIGSA-N 441.551 2.408 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C2CC2)N(C)C)CC1 1760258975 VKBGOLAEOGQRKX-NRFANRHFSA-N 438.576 2.058 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760276905 SOUUIJGYZKNDFK-UHFFFAOYSA-N 447.630 2.392 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N(C)C)C1 1760538940 WVUMZOQOGJGLMA-CQSZACIVSA-N 437.342 2.295 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc([C@H](C)O)cc2)CCOC1 1761291502 LJFDILALMVSIDJ-XTQVGHSUSA-N 441.532 2.149 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C(C)(C)C 1763656584 SAXXCHFFCACKPO-CQSZACIVSA-N 425.537 2.489 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1767256490 PKHBYASYZOFLQG-UHFFFAOYSA-N 429.521 2.051 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCC(F)F)C1 1770728664 SWDSXEAWVXQMIU-SFHVURJKSA-N 426.399 2.120 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccccc1)N(C)C 1771224030 ZVIXGNKHNPGOPK-YZGWKJHDSA-N 428.537 2.034 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCCOC1 1772659962 HANAROSJVVTQNE-HNNXBMFYSA-N 439.969 2.457 30 10 IEEE COC1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851386816 PQONXDSYGVSUSP-OAQYLSRUSA-N 427.526 2.085 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1851939305 OIDNAGIXKOLBGC-NSHDSACASA-N 435.362 2.080 30 10 IEEE N#Cc1ccc(C2CC2)nc1C(=O)NCc1nc2ccccc2n1CCN1CCOCC1 1852309350 BUMMYDMLHGCARG-UHFFFAOYSA-N 430.512 2.443 30 10 IEEE C[C@@H]1CC(=NC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)NN1c1ccc(Cl)cn1 1852733769 JLORHZGEXQEQOI-RHSMWYFYSA-N 443.939 2.441 30 10 IEEE COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 1853079411 PPBWXADKALPSON-LJQANCHMSA-N 430.530 2.396 30 10 IEEE NC(=NOCCC(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2C1)c1cccs1 1853526094 UAKBJXNQABKAPC-SFHVURJKSA-N 426.542 2.351 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)[C@@H]1C 1854752272 ZYXFNBAGSYBZNF-OALUTQOASA-N 433.574 2.031 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)cc1 1856334725 VLHNHDUEETVBNH-MRXNPFEDSA-N 425.510 2.111 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(Cl)n3)C2)C1 1857477432 KYZCXHCNHKHEHV-AWEZNQCLSA-N 425.876 2.144 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1cc(OC)c(OC)cc1OC 1864870124 HIDACUFIGQWXCU-GOSISDBHSA-N 442.516 2.395 30 10 IEEE CC(C)(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2cccc(Br)c2)CC1=O 1870149102 GQXFYACEBICFCQ-NSHDSACASA-N 431.294 2.487 30 10 IEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN(CCO)CCCC)cc1=O 1870561581 TVCPANSJBPCCGF-HSZRJFAPSA-N 441.572 2.463 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2nccc(N(C)C)n2)[C@@H]1c1ccc(C#N)cc1 1889338890 AYNQQUOJLFEMKP-SFTDATJTSA-N 438.557 2.124 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NCCN3CCC(C#N)CC3)SCC(=O)N2C2CC2)cc1 1889814940 ZXEYPDOQICMDFL-FCHUYYIVSA-N 442.585 2.194 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC(C2(NC(=O)OC(C)(C)C)COC2)CC1 2080179311 CVXSQYALIWBPTP-UHFFFAOYSA-N 439.372 2.231 30 10 IEEE C#CCn1ncc(N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2105981306 JGUBVVGOYZIXNC-QQVUYCAZSA-N 429.290 2.446 30 10 IEEE Cc1ccnc(C(=O)NCCNC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2243386444 AHGIFZMVTVIJHW-UHFFFAOYSA-N 439.321 2.345 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C 2255624244 WWAHVYVRTNOBGT-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 2255636470 UYDYYLQJRPZNOY-CQSZACIVSA-N 436.362 2.187 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255807778 ATLDAZNWJNYMID-MNOVXSKESA-N 447.288 2.114 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256615450 UUPMMHJWZXIVRJ-WBMJQRKESA-N 438.305 2.338 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256623083 PKUMEWZNERRKRM-LRDDRELGSA-N 438.305 2.338 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 2260044287 XLZBAJLLODDBOD-UHFFFAOYSA-N 449.548 2.141 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267101605 JVVMWNMIIOJPKB-INIZCTEOSA-N 446.353 2.352 30 10 IEEE Cn1nc(C(=O)NCCCC2(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267189422 ACQXEUVYYVNRQT-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)nc2)OC1(C)C 2267270051 JGMBPYCMDPKMLQ-HXUWFJFHSA-N 432.333 2.231 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267521288 QUFYBRDJXWUFJL-KBPBESRZSA-N 446.357 2.084 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 2267540381 XAQYTESRUYYBHD-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267880407 SUDNMEVPRBNLGL-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2268715736 ACYCAGRAGNNZKU-KRWDZBQOSA-N 448.369 2.077 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317256480 OTHFOZSUFNXJCQ-HUUCEWRRSA-N 436.289 2.226 30 10 IEEE COc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)c1OC 2329175921 ZIGNOAWDVFRRFL-UHFFFAOYSA-N 441.513 2.376 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(OC)c(O)c1 2331273332 HVPVOMLMBPOILC-UHFFFAOYSA-N 445.501 2.065 30 10 IEEE COc1nc(N2CCC(CNC(=O)C(F)(F)F)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2339786044 GFUSOYSAOMADJC-UHFFFAOYSA-N 443.275 2.284 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)c1=O 101350949 IAQZBCKTOCHUDY-UHFFFAOYSA-N 427.486 2.044 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 109382746 FWMTYJLJFAAHRN-QGZVFWFLSA-N 435.546 2.118 30 10 IEEE CCCN[C@@](C)(C#N)Cn1cnc(I)c1I 304255464 AYTGTANRKJWXSW-JTQLQIEISA-N 444.058 2.374 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433000799 GQSKIAABIUXTLV-MRXNPFEDSA-N 441.395 2.111 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)CC1 436997749 ABHDDPVZHOSBMG-UHFFFAOYSA-N 428.395 2.121 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 443334913 NURWREPVBGEAFL-WIXQSORDSA-N 438.528 2.239 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cn1 480197093 IYOUCVMVHVZFSS-CYBMUJFWSA-N 435.410 2.451 30 10 IEEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 488278750 CYFNFXQWHIGOSR-SJORKVTESA-N 439.516 2.267 30 10 IEEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 502614927 ALUZBDWDNFBENF-FQEVSTJZSA-N 437.518 2.336 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4cccc(C#N)c4C)CC3)C2=O)n(C)n1 506700940 XOHIFLAQCNTYGD-HXUWFJFHSA-N 435.532 2.254 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508948587 DCQRANRKMNBCGA-UNMCSNQZSA-N 436.560 2.110 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN([C@@H](CC)CO)CC1 536224485 FBRLOJJHRHDBMC-HNNXBMFYSA-N 440.338 2.013 30 10 IEEE CC(C)(C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1O 544658570 GWHDXSLEEAPILS-VQTJNVASSA-N 433.574 2.214 30 10 IEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CC1 549530607 SKDNDXFVRKQSNW-UHFFFAOYSA-N 446.511 2.072 30 10 IEEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 563473590 HDTAMJCDFZUZLK-CYBMUJFWSA-N 433.983 2.282 30 10 IEEE N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611670640 GBPDKFBJQHDWOC-IRLDBZIGSA-N 429.542 2.399 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCCO2)c1=O 684533745 CDNIFPUWRRRNCV-SFHVURJKSA-N 440.569 2.129 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)CCN1C1CC1 732701232 LWBJDLQUHKTXKP-OAQYLSRUSA-N 433.516 2.285 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)/C=C\c2cc3ccccc3nc2OCCC)CC1 733150156 CQTOVNIZBWJVPQ-KHPPLWFESA-N 434.540 2.321 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCc2ccc(OCC#N)cc2)CC1 733424639 URJHRYVLQWEHKK-UHFFFAOYSA-N 432.502 2.073 30 10 IEEE COc1cccc(CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C2CCC(O)CC2)c1 737048797 GCXFDPLBYDSYSQ-QURGRASLSA-N 442.516 2.037 30 10 IEEE COc1ccc(CNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)cc1C#N 746859056 NGYQGDMKMOEUHN-UHFFFAOYSA-N 426.498 2.044 30 10 IEEE C=C(C)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 755988319 LANQNSBHOFSMGY-OAHLLOKOSA-N 428.938 2.461 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC(F)F)c(F)c2)c1=O 758090167 NJOWBLFQKJVRMM-UHFFFAOYSA-N 432.423 2.156 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 762992256 XDZMIKNYYQLKIZ-UHFFFAOYSA-N 445.903 2.093 30 10 IEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)C1=O 770685807 MDMLEXWKJKGLGL-GBXCKJPGSA-N 449.555 2.397 30 10 IEEE Cn1c([C@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)nc2ccccc21 777284939 AGVJQUQOXKQQGR-RHSMWYFYSA-N 425.489 2.265 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)N2CCN(CCO)[C@@H](C)C2)c(C(=O)OCC)c1C 779443175 GWVRSVXRGJGJJP-ZDUSSCGKSA-N 439.534 2.106 30 10 IEEE Cc1oc(NC(=O)COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)c(C#N)c1C 780255092 OMWILNRHLRMRJT-JOCHJYFZSA-N 441.440 2.335 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)C2=O)cc1 780895154 XNBVWXYSCLUYAV-AABGKKOBSA-N 438.484 2.181 30 10 IEEE CC(=O)c1cc(Br)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 784740039 ZQMOVNFDXSCQBR-UHFFFAOYSA-N 436.287 2.329 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1ccnn1C 789965578 CSFMOERSRZDCMK-CQSZACIVSA-N 433.559 2.171 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(I)c(O)c2)n1 790105429 IAORCMHABCKEPR-UHFFFAOYSA-N 439.253 2.115 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 792746211 IKAFUWKUXGPMJO-RBUKOAKNSA-N 443.573 2.056 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)c2)s1 807245449 HLYRVRJUYZZKDU-JTSKRJEESA-N 425.510 2.357 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F)C1CC1 814705250 YGHCYFNZKAIDQK-MSOLQXFVSA-N 436.553 2.250 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1 1084093796 SOKCICJYVGEGQM-UHFFFAOYSA-N 439.501 2.264 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1138157193 DQKWUAKSLXQEJA-QGZVFWFLSA-N 428.468 2.373 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)C(F)(F)c2ccccc2C#N)CC1 1141655889 SHMMPDXIXDIJJW-UHFFFAOYSA-N 436.459 2.284 30 10 IEEE COC(=O)c1ncoc1CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1153092464 KODFNPYFMOSHRV-GOSISDBHSA-N 440.456 2.484 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c1 1161448551 FJVMXLUOEBCGMV-QGZVFWFLSA-N 449.330 2.358 30 10 IEEE CCn1c(CN(CC#N)CCC(=O)OC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1175483929 GFPFJFIGEFUJJQ-UHFFFAOYSA-N 447.561 2.119 30 10 IEEE CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1218059068 BTJBOKRRBSDCIZ-UHFFFAOYSA-N 431.543 2.323 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)C1 1233851842 ISOPCOPLQMLSMZ-JJXSEGSLSA-N 435.525 2.149 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)(C)C 1286366047 RFOOXRKNHZZDDJ-GOSISDBHSA-N 433.578 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1286408101 BWFFWBVEFVDNNB-UHFFFAOYSA-N 444.539 2.443 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2conc2COC)CC1 1286485050 BNBZCXHVSKCUNT-UYAOXDASSA-N 442.564 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[S@@](=O)C(C)(C)C)CC1 1286490800 SLWDCAHTEUJCKI-SSEXGKCCSA-N 433.622 2.449 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCc1cccc(C(N)=O)c1 1286518664 IMIBTBIFYYMFMP-UZUQRXQVSA-N 425.533 2.336 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286577834 BQEIRBRTSBSWJI-IAGOWNOFSA-N 439.568 2.132 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1286755486 ASNTZWHERQNVOG-IBGZPJMESA-N 440.928 2.466 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1286793439 FACKLUNJJFJHNB-QGZVFWFLSA-N 448.568 2.268 30 10 IEEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1286795406 ATRDODGUQKWQKC-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3cccc(C#CCO)c3)CC2)cc1 1292217221 WFKDLRIENNUATH-UHFFFAOYSA-N 426.538 2.223 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)c1 1293845443 KBPHCJHHUHFLLR-NRFANRHFSA-N 437.521 2.052 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)n1 1297350874 YVVMRBNHERIIMB-UKILVPOCSA-N 436.556 2.030 30 10 IEEE CO[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1299568952 AWOQTAHDYUCLHT-MOPGFXCFSA-N 446.559 2.475 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1300471854 RVHKWIHBPRPJPN-OAQYLSRUSA-N 436.560 2.316 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1300602292 OYSXXLVZXUTOIU-CYBMUJFWSA-N 434.547 2.113 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1300649287 KIDXHRRKMHKYGR-AZUAARDMSA-N 444.532 2.304 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1300700473 QULPIYFCBBSYQZ-FQEVSTJZSA-N 425.581 2.137 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCNS(=O)(=O)CC 1300813930 VXHMKUNRRXXEFO-JOCHJYFZSA-N 429.590 2.385 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCNS(=O)(=O)CC)CC1 1301129538 WDPLOGZEFUDUED-UHFFFAOYSA-N 438.623 2.366 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1301586583 UNNNAUJUHYDWJC-HXUWFJFHSA-N 446.573 2.431 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H]1C(F)(F)F 1302850983 WMLVUOGANLZCHO-IUODEOHRSA-N 442.467 2.001 30 10 IEEE COc1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc(NS(C)(=O)=O)c1OC 1304193971 NGPMMISWNKDNIB-LJQANCHMSA-N 445.497 2.161 30 10 IEEE C#C[C@H]1CCCCN1C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1312054646 MRKRAOUPYWDWCU-KRWDZBQOSA-N 435.546 2.054 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C#N)cc1 1314553810 CQAUHOWXGPTIFT-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC(=O)N1 1316086783 SGBUJNCBPFPKKU-HXUWFJFHSA-N 445.527 2.452 30 10 IEEE Cc1cccc(CS(=O)(=O)CCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 1358456347 IDCZVOZYLBTIHZ-UHFFFAOYSA-N 426.542 2.352 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358962191 MAGZXNSLIJKNKH-MRXNPFEDSA-N 442.570 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](CC)OC 1358986860 JMVAHYJMOHUHLJ-GOSISDBHSA-N 442.589 2.435 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)CC 1359015649 AEDYZOQCTRGBAW-HSZRJFAPSA-N 443.523 2.187 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2SC)CC1 1359038197 NDURLENSOSOWJS-UHFFFAOYSA-N 438.601 2.234 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOCC)CC1 1359097788 UAXCXSIZEXNOHH-TZIWHRDSSA-N 428.581 2.423 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC1CCS(=O)(=O)CC1 1359276516 GDNSVCJWLNZLJB-UHFFFAOYSA-N 444.561 2.332 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1440944430 YVKWWRUKJKAKLQ-UHFFFAOYSA-N 425.489 2.038 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)Cc2cccc(Cl)c2)s1 1455428782 NUWSUWVTFDSOSQ-OAHLLOKOSA-N 428.963 2.128 30 10 IEEE CCOC(=O)CC1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1461836281 ICLNRQJRLVXQCW-HNNXBMFYSA-N 433.892 2.183 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC3(CNC(=O)OC(C)(C)C)CCOCC3)cc2C1=O 1462012648 QFAJSPSFEOOXNQ-UHFFFAOYSA-N 443.500 2.272 30 10 IEEE N#C[C@]12CN(C(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1463163207 MNGSXVLBKDKTCT-XHDPSFHLSA-N 449.432 2.102 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)c3cc(Br)cn4ncnc34)CC2)cc1 1463587109 FRLGVYZURVXOQN-UHFFFAOYSA-N 425.290 2.321 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 1465863380 DSPFYHKCEKQNON-SFHVURJKSA-N 449.912 2.372 30 10 IEEE C#CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 1466627201 ZCEFPSRKYDGFOO-UHFFFAOYSA-N 430.482 2.068 30 10 IEEE Cc1nc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1-c1cnn(C)c1 1468322967 RTZGLQHBFOUBQZ-UHFFFAOYSA-N 438.513 2.248 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1494914508 SREBDIFOTDYVEY-KIMHZCHSSA-N 426.521 2.114 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503530280 IVHXXMHLYWRYQY-JTSKRJEESA-N 441.557 2.159 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1504569866 CRMQKLDLNLREFB-OLMNPRSZSA-N 427.461 2.125 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507628510 OQXDDNOWEMQTRF-HXUWFJFHSA-N 442.585 2.439 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1507636694 CJQZFKFYAASUMR-IBGZPJMESA-N 446.573 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[S@](=O)CC 1507658896 RFXZJHUSORDWPX-SSEXGKCCSA-N 425.558 2.379 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C)C(C)(C)C1 1507672320 ZZADUHUIUTWBCV-UHFFFAOYSA-N 439.633 2.123 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507787165 CSHHYWGSXVEAQN-CVEARBPZSA-N 431.338 2.135 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)O[C@H](C)C1 1507799787 SJIIKLPNNQRVPT-QQXKLLMISA-N 438.594 2.165 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507940847 FCXSGLMUYVRKLC-SFHVURJKSA-N 449.563 2.134 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1508071297 IFSPSLLTVXJTMX-IAGOWNOFSA-N 442.951 2.398 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCO[C@@H]2C)C1 1508114500 DIPMVWXHFNSFHS-UQNRQAKVSA-N 444.532 2.284 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(CO)c2)CCOC1 1509807268 QKSJSXRHYHDSAI-FGZHOGPDSA-N 429.496 2.301 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCS(C)(=O)=O)C1 1510291333 VLIKERUEWRXMFZ-IBGZPJMESA-N 432.506 2.418 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1516069015 QMKVWAOUEFCSLV-CVEARBPZSA-N 428.493 2.400 30 10 IEEE CN(C)CCOCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1517015387 FHOSZHPBVHLXGN-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COCCOC)C1 1517430064 IUTUBNRVMXJDJM-SFHVURJKSA-N 440.548 2.078 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1531928062 HBOCPRHEHHYBOU-KDOFPFPSSA-N 426.304 2.158 30 10 IEEE Cc1cc(C#N)cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)n1 1534293247 ALYIVQZWDPICQC-IBGZPJMESA-N 442.273 2.430 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1539049968 NXTBSMWCSLHJCK-CTNGQTDRSA-N 441.528 2.251 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539075572 AEGUXQCRPIMTBR-UHFFFAOYSA-N 443.555 2.493 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1539569663 GYZVTTCOXQKDGD-ZMPRRUGASA-N 440.552 2.218 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1nncn1C 1539579187 IPNRKQMBFUIVAR-ZIAGYGMSSA-N 440.346 2.381 30 10 IEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1539913111 ZCECXHBOFZCDBU-UHFFFAOYSA-N 445.593 2.119 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCOCC1 1540054185 MFSFPOSFNGVZTA-UHFFFAOYSA-N 433.578 2.082 30 10 IEEE CC(=O)N[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(Br)c1 1540604060 FXIISWPUSMKCNL-GOSISDBHSA-N 442.317 2.242 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1541363908 QJRWDRVHSOFQKU-UHFFFAOYSA-N 445.593 2.208 30 10 IEEE CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cn1 1547275362 BBLLIPHFWFGVNH-RDJZCZTQSA-N 432.550 2.151 30 10 IEEE CN(CCC1CCOCC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1554270330 UNQDYRVXBHTVOV-XUTLUUPISA-N 439.520 2.053 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C[C@@H](C)O1 1555405467 LEBZNVNZGJVLGU-DYESRHJHSA-N 439.516 2.316 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C 1557082208 ORPXPZDWHMTWFR-KGLIPLIRSA-N 440.338 2.012 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1557304471 WFGZUKYERKBCCP-DNVCBOLYSA-N 435.546 2.243 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2(OC)CCOC2)c1 1587689631 NXGOSGVXFLYQDK-XMMPIXPASA-N 446.511 2.202 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1587898338 OKDMLIBRWXMQLG-ZJOUEHCJSA-N 431.581 2.105 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588044985 DYSXUDXMVGOHRJ-IBGZPJMESA-N 439.541 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)CC1CC1 1588200660 YSSYTEBFPNHZPC-UHFFFAOYSA-N 431.949 2.281 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1593825673 DEOBJLMFJLJKPT-NSHDSACASA-N 427.690 2.429 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2cnccc2c1 1595466387 ICRFFKDSSYOJLY-UHFFFAOYSA-N 433.516 2.001 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595805304 MYUVWVHDOOQGJT-LJQANCHMSA-N 449.625 2.202 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1598005456 VRTIXAZIWXMCRU-DEOSSOPVSA-N 449.559 2.036 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1614348887 DFVMOLQSTHRQSL-SJORKVTESA-N 437.548 2.036 30 10 IEEE C=CC(C)(C)CCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1618692994 PWRCMBFMNFEKJL-UHFFFAOYSA-N 448.589 2.245 30 10 IEEE COCCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619811148 NACPRJXBYXIVGR-KRWDZBQOSA-N 435.536 2.467 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1620110969 HDMLMRTXJOTQMU-GMBSWORKSA-N 449.458 2.088 30 10 IEEE C=C(Cl)C[C@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OCC 1621479046 RNMBLSBLQQBMHH-LBPRGKRZSA-N 425.732 2.260 30 10 IEEE COc1ncc(NC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 1627437549 FWUOTZROBDAQOC-KRWDZBQOSA-N 430.509 2.121 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C(=O)OC)CCCC(C)(C)C2)s1 1629673793 XOBVUKGYUPQICU-IBGZPJMESA-N 428.576 2.383 30 10 IEEE CCS(=O)(=O)C1(CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1630075579 BXWSKYAQIXDOLY-GOSISDBHSA-N 447.557 2.476 30 10 IEEE C#CCCN1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1631720220 SLSOYFUBPUKUNO-GOSISDBHSA-N 430.553 2.021 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(F)F 1641857828 IVEAPYZLVOATIE-CQSZACIVSA-N 441.431 2.439 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 1642350779 HGQZJXYIIZIECP-UHFFFAOYSA-N 429.521 2.321 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1643153942 CASXGDOKVLVLLP-IRXDYDNUSA-N 434.537 2.148 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](CO)c2ccc(Cl)cc2)s1 1644028581 TVIDVNWWBCEICA-CQSZACIVSA-N 428.963 2.301 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1644666088 TWLIJAAGYJVODR-QZTJIDSGSA-N 441.576 2.156 30 10 IEEE Cc1cc(Br)c2[nH]nc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2c1 1648003368 OCSRCZIBDNMECH-UHFFFAOYSA-N 448.302 2.311 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 1653112595 QGGOAXQQUMGRTQ-MSOLQXFVSA-N 449.573 2.480 30 10 IEEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1655010051 LADFZRNIPXLIFM-KRWDZBQOSA-N 425.982 2.461 30 10 IEEE COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)s1 1656503054 HUOAZMPLQLJYTO-UHFFFAOYSA-N 439.490 2.065 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)C1 1664135016 GICMTBKIKZFUPQ-LLVKDONJSA-N 449.754 2.265 30 10 IEEE Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(S(C)(=O)=O)c1 1669939481 CGPKOULNDFSLEB-SFHVURJKSA-N 426.498 2.193 30 10 IEEE CCCNC(=O)Cc1csc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 1673920342 HOQBTTFAXJKFJS-UHFFFAOYSA-N 443.533 2.303 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCn3c(C(F)(F)F)nc(Br)c3C2)C1 1687594884 NJFCMBGPJSKCGW-LLVKDONJSA-N 434.260 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)COc1ccccc1OC 1690043576 GCBRTWUPBQMIAN-OALUTQOASA-N 435.528 2.416 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OCC 1690047197 MIGNXXJLFUSUQQ-HXUWFJFHSA-N 440.569 2.285 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 1690089653 JBZWALFVBGZNLC-GOSISDBHSA-N 437.523 2.178 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCc1ccc(S(C)(=O)=O)cc1 1690099927 QPCZVKLMKDVBTL-UHFFFAOYSA-N 439.541 2.072 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1690108293 SXMVMPGCVLUPHN-KRWDZBQOSA-N 433.553 2.351 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)CC1 1690394554 DDRJSZVXUFEHRX-UHFFFAOYSA-N 437.426 2.006 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1690523981 VVLVSFXXTZARGB-QFIPXVFZSA-N 426.521 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690725569 UURUUFJEWXHUEW-HTZLVSCSSA-N 448.564 2.206 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1692659943 BAIWMFIRAURWAX-IRXDYDNUSA-N 441.561 2.080 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1705549935 NPGLDEZIYMWZMP-UHFFFAOYSA-N 445.531 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 1705586563 NXOQIDZJWVPDOB-VWLOTQADSA-N 449.624 2.344 30 10 IEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC#C 1705662258 URJBCYWCPNUNKJ-QGZVFWFLSA-N 433.578 2.412 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1705664313 YXQHVCSZADPRRO-UHFFFAOYSA-N 428.518 2.312 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705907257 FVSKOHXQDMGOHP-FQEVSTJZSA-N 433.560 2.483 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](SC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909298 SOJWIDAWNAMLID-DYESRHJHSA-N 437.610 2.343 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccs2)C1 1705914147 HNYYQYXVMKWTSM-HNNXBMFYSA-N 425.518 2.406 30 10 IEEE C=CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705949425 YLIBFYUUALPISV-LEWJYISDSA-N 437.610 2.200 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1706076153 YLOQZHHPOCQZPH-VXLLPVPCSA-N 438.598 2.204 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CCOC)c1 1708664138 GSFVGSFBDAOFFP-NHCUHLMSSA-N 435.532 2.440 30 10 IEEE CCC[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1709473475 XNXWZNKAVTYOOT-LZICOFPGSA-N 426.525 2.077 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC2CCOCC2)cc1 1712880048 VLSJVKPZLQHGGV-IBGZPJMESA-N 438.532 2.104 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1722293156 KYNRRQDCXUMQDH-INIZCTEOSA-N 430.516 2.016 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722320111 STAKVUQCRNVSEQ-LJQANCHMSA-N 439.564 2.491 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1722326860 XQPAGXHUWJGFHY-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722338357 OHWHXKJSIMNCGV-UHFFFAOYSA-N 447.524 2.218 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(CC)s1 1722354230 BAMDVQYLQCOGNC-AWEZNQCLSA-N 447.565 2.118 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1722362501 BIYXCDHBHHDKGB-BHIYHBOVSA-N 428.558 2.422 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722534445 PLGVDBSPKIRUOV-MSOLQXFVSA-N 430.578 2.474 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NC)CC1 1722585864 LMDNBVACKVJBRF-UHFFFAOYSA-N 449.563 2.486 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1722696796 BEERKALATMEEQP-KRWDZBQOSA-N 449.490 2.276 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1724188510 FSVIBKWOQZQQOS-TZIWHRDSSA-N 441.532 2.398 30 10 IEEE C[C@H]1COCCN1CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1 1726752007 HBYXOLBVJLMMLS-IBGZPJMESA-N 431.544 2.493 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)C1 1728685157 ZWKXRMFJSCGDPZ-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)cc1 1730096218 KSDVZEROJXYOAB-WOJBJXKFSA-N 427.505 2.268 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1730487954 KKMQDWXJVDLMHJ-HZPDHXFCSA-N 432.475 2.104 30 10 IEEE COCCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730677282 KWBKGYHYQFDJLM-QGZVFWFLSA-N 435.536 2.087 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740582721 HZNOHQWLBSAXFL-SFHVURJKSA-N 446.349 2.462 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740619320 HTIHAJKZGFYGAH-OXJNMPFZSA-N 449.964 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740635133 LOENZPOMTDAAPB-CYFREDJKSA-N 436.512 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC(F)F)c1 1740644772 TUKCIXSNNRRBFL-UHFFFAOYSA-N 428.443 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1740653447 MTUYLWIMOHMHOF-OAQYLSRUSA-N 431.544 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)OC 1740658350 LGWZGFHZGBSTRT-JOCHJYFZSA-N 434.588 2.141 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOCC1 1740770605 YPSYHFROCNCPQY-UHFFFAOYSA-N 437.552 2.046 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1740773014 RPLVGIPNQQOTHF-UHFFFAOYSA-N 433.582 2.119 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740786585 IYVBHUMGDRAHQI-UHFFFAOYSA-N 441.458 2.245 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)no1 1740917028 DZURQGMUSDYZQT-MRXNPFEDSA-N 430.534 2.426 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1741113254 BVXZLDWEGGHICD-UHFFFAOYSA-N 432.532 2.460 30 10 IEEE CCCO[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1745840029 MIBIRPSGCOCRNB-UFVMTTLYSA-N 428.537 2.467 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCn1nc(C)cc1C 1748852566 HHUGWXAWAQNTIR-UHFFFAOYSA-N 426.528 2.493 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N(C)C 1748962536 KRBJDGHEWDXBRD-GOSISDBHSA-N 448.612 2.429 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCS2)CC1 1748978834 QADNPZNTEVUSKB-DENIHFKCSA-N 433.622 2.360 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1749215564 BDMWVGADAONLHF-UHFFFAOYSA-N 445.520 2.443 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1749268483 BHNUYGCYPPRUIJ-KRWDZBQOSA-N 438.985 2.354 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1749458151 ZHUWDTDGUJAROM-FUHWJXTLSA-N 444.511 2.404 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1750197772 QKKZBUFTFCISJB-CGTJXYLNSA-N 433.509 2.273 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(C(C)C)C2)cs1 1751782905 OQLQPQDKSSBEGP-HKUYNNGSSA-N 429.594 2.483 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1760152546 PMWLJXAXYAEVPR-UHFFFAOYSA-N 447.543 2.147 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1760186849 RESFNGVDBCWVMF-JFIYKMOQSA-N 428.558 2.400 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CC 1760205908 MONICIRKEJWIEM-NRFANRHFSA-N 432.576 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@H](C)C1 1760517311 JCCOGCDTYZOISO-CQSZACIVSA-N 447.561 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760518681 ZCUFLDBLDBEFJH-INIZCTEOSA-N 443.895 2.170 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1760565731 DCWBUBPERVXXLJ-ZWKOTPCHSA-N 440.635 2.352 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1761077518 BKRKAXKBLDCYAO-QGZVFWFLSA-N 438.598 2.177 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1761360370 LANAGCTXWBBSPQ-GOEBONIOSA-N 438.458 2.127 30 10 IEEE Cc1nnc(N2CCC[C@H](CN3CCCC[C@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762584530 YVQQSDFZFRQFBE-AEZKDZDTSA-N 441.580 2.204 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1764172219 YMEMRQXASGXZKR-IBGZPJMESA-N 447.547 2.126 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1765104549 MQBHWHOPVXIFTA-LJQANCHMSA-N 432.532 2.491 30 10 IEEE Cn1cc([C@@]2(C)CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CCO2)cn1 1767450874 VEJXLHNHJKRZMY-HSZRJFAPSA-N 435.532 2.465 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769281653 IQXFNEXTOHJVKK-SFTDATJTSA-N 442.539 2.350 30 10 IEEE COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1770882557 WYVPMSAAKUKZAW-SFHVURJKSA-N 446.577 2.009 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(-n2ccnc2)c(F)c1 1771111313 GWXNUIBUCSYJDK-UHFFFAOYSA-N 447.478 2.475 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)C1 1771347225 CWONENZRMHPEJX-MOPGFXCFSA-N 429.546 2.399 30 10 IEEE N#Cc1cccnc1N1CCN(CCNC(=O)[C@H]2Cc3c(ccc4ccccc34)O2)CC1 1851345815 PTIGZVMEJHHOLV-HSZRJFAPSA-N 427.508 2.348 30 10 IEEE Cc1cc(N2CCC(N(Cc3cnnn3C)C(=O)c3ccccc3OCC#N)CC2)n[nH]1 1853461361 CPEKFYPWIGTWAY-UHFFFAOYSA-N 434.504 2.060 30 10 IEEE COc1coc(CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)cc1=O 1853888728 MQUZFQIGIUTVHZ-CYBMUJFWSA-N 429.860 2.241 30 10 IEEE COc1c(F)c(F)cc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1F 1854048151 HNPVFKFARXUGTK-NSHDSACASA-N 442.371 2.146 30 10 IEEE O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860636029 IEZCRKDZOJYSMN-GORDUTHDSA-N 445.819 2.483 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1cccc(OC)c1O 1864130741 RFDWVNWNDYJGGV-SFHVURJKSA-N 433.468 2.287 30 10 IEEE COc1ccc(-n2nc(N3CCC(C(N)=O)CC3)nc2NC(=O)c2cccc(C#N)c2)cc1 1870064016 GYXXSQBLRJEKCF-UHFFFAOYSA-N 445.483 2.102 30 10 IEEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CN(CCOC)CCOC)cc1=O 1870560828 NAUVADOPVNAGPK-UHFFFAOYSA-N 428.529 2.206 30 10 IEEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597288 SYGBOFMYDFZGIW-UHFFFAOYSA-N 441.580 2.385 30 10 IEEE COc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCC(N)=O)c(OC)c1 1874374823 PBWZNRUDEPOCPW-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE CC1(C)OB(c2cncc([C@@H](CNC(=O)OCc3ccccc3)C(=O)O)c2)OC1(C)C 1951974156 KRNOLMQBELBKDQ-GOSISDBHSA-N 426.278 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060635500 MJYBLUHIMCGZRW-DOTOQJQBSA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060636309 WOBXUFIVVGSWAC-XLMAVXFVSA-N 435.374 2.136 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)CC(O)C1 2073756841 MEUWWAGJAPPATQ-RDKCNORWSA-N 436.358 2.489 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(=NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH][nH]1 2126784518 XPHOOCYATJPMMX-UHFFFAOYSA-N 443.357 2.205 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCCC(=NO)C1 2164486674 HREHQQXOSDHCDH-VLIAUNLRSA-N 439.509 2.341 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 2174786304 IPNQLOYPIXWUNY-FQEVSTJZSA-N 429.498 2.015 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2174787667 WTYFCMDDISOUIR-IBGZPJMESA-N 429.498 2.183 30 10 IEEE C[C@@H](c1cscc1C#CCCO)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2186574172 UJODDHISXLGBSC-HNNXBMFYSA-N 446.550 2.101 30 10 IEEE COCCN(c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2224096995 KADBRMIPFZPDRG-UHFFFAOYSA-N 433.358 2.453 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229096538 PSVWTNQYSRURSQ-HZPDHXFCSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247862653 FEZFOAKYYQYXSN-KGLIPLIRSA-N 438.355 2.069 30 10 IEEE CN1CC[C@@](CNC(=O)OC(C)(C)C)(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254636185 UDMHEJYCWCBMHI-QFIPXVFZSA-N 433.358 2.359 30 10 IEEE CN(C)C[C@H](CNC(=O)OC(C)(C)C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254760965 WYAIEPITTCYSMJ-AWEZNQCLSA-N 439.337 2.354 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)n1 2255636469 UYDYYLQJRPZNOY-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255695674 IZJOWTORZBCCCJ-GJZGRUSLSA-N 431.342 2.271 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256624019 TYXJDAUQEKOCLC-UHFFFAOYSA-N 426.322 2.356 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267107900 RHSYKOBECYXNBN-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267132691 SGZOLJPQAVZHNC-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CCC2 2267139854 LSALUGTWBIXVOA-CABCVRRESA-N 446.357 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267192077 LWNHIHWJWMOFDN-JLCFBVMHSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267193887 LSLSBFJCQMRBTC-QILLFSRXSA-N 443.353 2.366 30 10 IEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267268054 PFSAQMDYIQEVPS-HUUCEWRRSA-N 446.357 2.009 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267479896 RIQCCBSVTLQXGI-ZVZYQTTQSA-N 443.353 2.366 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267521386 RLNIHSMAUHTFGC-CABCVRRESA-N 448.373 2.237 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2267529193 JRFZRDNUPNOUJL-LSDHHAIUSA-N 448.373 2.330 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267590181 LJJJVZDASDFTPW-ALXJQNPVSA-N 445.369 2.402 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268721602 NNHZOFVGSRHJAQ-MRXNPFEDSA-N 447.341 2.083 30 10 IEEE Cc1c(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2271950790 AOYFZPFZYNMTHQ-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE Cc1nn(C)c(C(=O)NCCc2cnn(Cc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2282584494 VGWWUUOERLACKK-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(O)c2)cc1 2328369813 KZYVUVOZGJYHQQ-UHFFFAOYSA-N 443.485 2.040 30 10 IEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccn1C 2329056649 VWLWCAUNFXAORD-OAHLLOKOSA-N 432.550 2.268 30 10 IEEE COc1nc(N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339786100 GXSZJPYSDNDJSC-TZMCWYRMSA-N 443.275 2.425 30 10 IEEE COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2cccc(O)c2)c1C 22691712 YUYAXORLRAIEOX-HNNXBMFYSA-O 432.522 2.119 30 10 IEEE C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@@H](C#N)C(=O)N3)C1 72461121 LRJUTFFDMDWRJV-SIIHOXLZSA-N 435.484 2.391 30 10 IEEE COc1ccc(CN2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254415710 AKMAJOSUUWJUBO-RTBURBONSA-N 446.550 2.371 30 10 IEEE C[C@@](C#N)(Cn1cnc(I)c1I)NC1CC1 304395310 LVEJKIWQTFEVHD-SNVBAGLBSA-N 442.042 2.127 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 409588716 ILFPXKHDBKJIFS-SWLSCSKDSA-N 432.340 2.369 30 10 IEEE N#CCC1(CNC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 431060405 YIEQMIBVWSWUJA-UHFFFAOYSA-N 430.452 2.415 30 10 IEEE Cc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1S(=O)(=O)NCC#N 447721173 FHPBVHGGZAKVGB-GOSISDBHSA-N 428.514 2.434 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 460385706 GVOKXYWHVCFCSF-QGZVFWFLSA-N 429.594 2.487 30 10 IEEE CCO[C@H](C)c1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 463345206 MIPMNYGXVBTFRW-CQSZACIVSA-N 434.543 2.259 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 471994528 BKYZPCUIVJETHH-UHFFFAOYSA-N 429.433 2.482 30 10 IEEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 486838084 GTHSKDPKOFOVAL-INIZCTEOSA-N 429.567 2.198 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 503610030 GMIPWWWODDUODQ-JOCHJYFZSA-N 449.573 2.490 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)c(F)c1 506116482 YNSPKHZDZXCSLO-LJQANCHMSA-N 428.508 2.011 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)CC(=O)NC(C)(C)C 506911833 RWQAJDLZRWOICP-UHFFFAOYSA-N 426.926 2.385 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC1 512999586 SXJFWAIQKCGZCL-UHFFFAOYSA-N 432.609 2.078 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C[C@@H](C)C#N)C2CC2)CC1 533600310 UXBNKRCNWZIVHU-AWEZNQCLSA-N 434.518 2.455 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCCO2)c1=O 536085935 WMUXDWDUYMBUSA-SFHVURJKSA-N 438.549 2.360 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 538497763 NIXSWBMFACYMEI-UHFFFAOYSA-N 443.569 2.167 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 574818408 SLEBKHIWEVMERN-UHFFFAOYSA-N 441.509 2.109 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccccc3)c2=O)n1 578477971 ZKSDBZZLBBRPLO-UHFFFAOYSA-N 431.517 2.234 30 10 IEEE O=C(NN1CCCCC1)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673587 JLVOUADSGLSKFC-WSUYWMSVSA-N 433.468 2.152 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 586085001 XHMSZJZRDIFLMG-UHFFFAOYSA-N 426.498 2.100 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 619105684 HAFHPYYBRAPVJF-UHFFFAOYSA-N 441.447 2.305 30 10 IEEE C[C@H]1[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1Cc1ccccc1 619588037 MNXKRMXLLPXEHJ-LAUBAEHRSA-N 432.528 2.411 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 728093540 ISTGCPMBZUPFLJ-CQSZACIVSA-N 447.451 2.296 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C#N)cc2F)c1 729845660 FZSMZAMKVVKQOQ-UHFFFAOYSA-N 425.869 2.205 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)cc1 733075784 XRGIFTGRXLLMFM-XMSQKQJNSA-N 432.590 2.421 30 10 IEEE O=C(NCCCc1ccc(Br)cc1F)NCCN/C(O)=C1/N=CC=CC1=O 734944424 CMMRAHQULVCDLR-MSUUIHNZSA-N 439.285 2.346 30 10 IEEE C[C@H](C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 752612096 AJQSWGHSZSXWOM-YWZLYKJASA-N 441.509 2.261 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 758149214 RXPOHRNNKDFULG-RBUKOAKNSA-N 436.597 2.297 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1 764079284 VGDJOXYJDKDVJV-VQTJNVASSA-N 433.480 2.052 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)CNC(=O)c2cccnc2)n(-c2ccc(F)cc2)c1C 767613550 KHUWVZJXCILVNP-UHFFFAOYSA-N 449.442 2.412 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767872579 RBKHTIVLOTVMGR-CYBMUJFWSA-N 441.509 2.070 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3OCC[C@@H]4O)CC2)cc1 768476856 SNBIEBOOHXYVEK-FQEVSTJZSA-N 441.509 2.414 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)n2)cc1 779977549 MQFOVYCMHLEADJ-QHCPKHFHSA-N 446.467 2.222 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)[C@H](O)c1ccc(C#N)cc1)CC2 780932176 KWFDGWXYQWXCAR-HSZRJFAPSA-N 437.496 2.090 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2nnc(SC)s2)C1=O 783507066 AMACTFUACHFGEY-LBPRGKRZSA-N 432.556 2.399 30 10 IEEE C#CCN(C(=O)N[C@H](C)c1ccc(Br)cc1OC)[C@@H]1CCS(=O)(=O)C1 786925211 GVARHEXUEUIOIT-TZMCWYRMSA-N 429.336 2.351 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)n1 788332098 QNAJVJKTAUYLBN-IBGZPJMESA-N 444.919 2.267 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CCCN1C(=O)OC(C)(C)C 790671164 GLXLGDQAGYLLCP-OPAMFIHVSA-N 431.537 2.378 30 10 IEEE C=CC[C@]1(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CCCN1C(=O)OC(C)(C)C 791717001 FCSFQHJYPOGJMD-QGZVFWFLSA-N 437.415 2.264 30 10 IEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802599682 BJFFFTNCWNQVGO-GAJHUEQPSA-N 442.516 2.458 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cc(Cl)ccc1F 802844653 LYCHLDXGKHCIHA-UHFFFAOYSA-N 435.868 2.448 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(Cl)cc1 810209237 ACMMITKVPJLQIV-KRWDZBQOSA-N 434.905 2.252 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC2(CC1)OCCO2 812178775 FMHWNVWPLFYFHV-UHFFFAOYSA-N 425.537 2.372 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@H](C#N)C(=O)NC2CCCCC2)cc1 916894163 RJMCFPFXTMBJDM-IBGZPJMESA-N 435.546 2.254 30 10 IEEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cc1 1084017411 QSSCCYZROMDDOZ-UHFFFAOYSA-N 445.578 2.471 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1Br 1127419402 CGJCHYGLEADYFK-GOSISDBHSA-N 443.301 2.402 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)CC1(C#N)CCOCC1 1140833891 SHKHNUPMJDCRCQ-AWEZNQCLSA-N 425.323 2.435 30 10 IEEE C[C@@H](CC(=O)N1CCN(c2ccc(C#N)cc2)CC1)NS(=O)(=O)c1cccnc1Cl 1149507950 JCJZEGZTEJPMBG-HNNXBMFYSA-N 447.948 2.012 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1153815106 LCJWYGVNPODCLJ-CYBMUJFWSA-N 428.385 2.500 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1175854222 OCDKHXMLVQXNDQ-HXUWFJFHSA-N 429.561 2.389 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c1 1184031898 QCYWIROJPKEHBJ-UHFFFAOYSA-N 438.321 2.117 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 1211521433 NNBJDUVXYFCFQC-LJQANCHMSA-N 444.509 2.369 30 10 IEEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(F)cc1 1211945890 HNAXOXQTJCKDBC-LEWJYISDSA-N 446.500 2.457 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1)C1CCOCC1 1231332915 VBGVLWPPEXLVSD-MOPGFXCFSA-N 446.552 2.078 30 10 IEEE COc1ccc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1264683194 XJGZDMBPZLVGBW-INIZCTEOSA-N 440.887 2.119 30 10 IEEE C#C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccc(Br)cc1 1275464983 RAMZLYLKGXSBPW-WMZOPIPTSA-N 425.286 2.360 30 10 IEEE C=CCn1cc(CNC(=O)c2c(C)cnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1276652551 WMUPNDYUFHNJAZ-QGZVFWFLSA-N 429.525 2.471 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1286293870 TXWPWOCETOLXLS-MSOLQXFVSA-N 447.580 2.392 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286358877 RLFTZPDCLRRGRP-KSZLIROESA-N 444.536 2.500 30 10 IEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCCN1CCC(O)CC1 1286379775 BZYVZLOTWSGGOC-UHFFFAOYSA-N 429.590 2.495 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOCC1(C)C 1286398308 IINRHHBMMAAARE-UHFFFAOYSA-N 448.571 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1286415988 KQPXQLVEVBXOKQ-QFIPXVFZSA-N 439.535 2.426 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(C)(=O)=O)cc1 1286449812 HZVOSAMDTCUKEE-UHFFFAOYSA-N 440.573 2.245 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2csc(CC)n2)CC1 1286485543 PJTXOHCDXAZDON-PXNSSMCTSA-N 444.605 2.019 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCCO[C@@H](C)C2)CC1 1286486498 NGACNNDTBJQMHA-PMACEKPBSA-N 444.624 2.258 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1286563169 OIYRHDNTNIWASA-UHFFFAOYSA-N 436.557 2.112 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1286705604 AZNHGNAADHIIGD-UHFFFAOYSA-N 440.548 2.171 30 10 IEEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1287103009 OFQZDZMDOMSLMC-AOMKIAJQSA-N 448.568 2.487 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1291782851 HQUKXGMOHSWGND-MSOLQXFVSA-N 439.564 2.126 30 10 IEEE CC/C=C\Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1293707422 RDXSULATRBDRTP-YHLLGKTKSA-N 432.525 2.281 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1298541356 GLMVMYYQIAODNC-GJZGRUSLSA-N 440.294 2.047 30 10 IEEE C#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Br)cc1 1298542226 UCQGXMBNEZJMRE-IRXDYDNUSA-N 446.276 2.053 30 10 IEEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 1299197728 GVRYSJMFGKREPC-UHFFFAOYSA-N 446.504 2.490 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1300309062 SBVGENILCHLVGD-CVEARBPZSA-N 426.546 2.147 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300313093 BCGAGQBPBJMTLL-BJLQDIEVSA-N 436.539 2.068 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300422117 FYFUTKIGCUATAQ-KRWDZBQOSA-N 449.552 2.175 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cc(C)on2)CC1 1300729200 QFBSGWLQGSEVDG-UHFFFAOYSA-N 432.528 2.374 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1301017241 HYGRHOZUMFEMFH-CQSZACIVSA-N 441.989 2.241 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1301337957 ONNKXUSLJCYTTJ-GBXCKJPGSA-N 441.576 2.440 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1301342057 RMGFLSZISWXQKO-LJQANCHMSA-N 443.573 2.141 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1301970508 DIEARJYGEBEMGF-UHFFFAOYSA-N 436.331 2.300 30 10 IEEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1307962595 UOCDVVVRHPHTLP-IBGZPJMESA-N 431.602 2.296 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2)[C@H]1CCCO1 1309422681 YXPDHFYLZCEWAO-UKRRQHHQSA-N 427.320 2.183 30 10 IEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1314900583 PZMQSBPZDBQRBQ-GOSISDBHSA-N 448.522 2.165 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC(=O)NC(C)C 1316085788 GUJJGOWWCGAXGV-UHFFFAOYSA-N 435.532 2.333 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCCO2)C1 1321324554 JQSZNODFSNHENM-PMACEKPBSA-N 439.564 2.412 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1 1354284662 FRVISVFIPUXESO-NMWGTECJSA-N 442.497 2.107 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1358872097 OMTIYKNPRHPWJF-KGLIPLIRSA-N 432.525 2.209 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1358905082 RKNVQNCLHIQHGG-LWYYNNOASA-N 448.637 2.002 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1358919777 KEDMTIYSTNESLJ-KRWDZBQOSA-N 445.589 2.178 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1COCCO1 1359020610 JUXDUXXQMBQDDM-CYBMUJFWSA-N 441.351 2.271 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359228677 KJJUJPHUIAUMKY-LJQANCHMSA-N 433.578 2.260 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359305382 BPRLSZBJYBGDDC-LJQANCHMSA-N 445.486 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCN(C)C2)C1 1359323955 AEGVQUXFDCXWNR-REWPJTCUSA-N 427.549 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(C)cs1 1359334736 PDYXANDKDLGQNQ-UHFFFAOYSA-N 437.591 2.008 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1 1359574698 HFMLIJOPIVHKPI-UHFFFAOYSA-N 431.541 2.055 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)c1 1437239464 BOHKFNTZQREHQI-UHFFFAOYSA-N 432.524 2.425 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1 1440705628 MVMHUTDWCQJQBC-FQEVSTJZSA-N 430.526 2.188 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)CC1 1455114692 HTKBEIGHHVTVAU-UHFFFAOYSA-N 425.554 2.243 30 10 IEEE Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)c1 1463341471 DMBRCRHPJWMFEJ-UHFFFAOYSA-N 427.526 2.281 30 10 IEEE COc1ccc(NC(=O)/C=C/C(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 1463700787 VCQDQKNLHSAZHM-CSKARUKUSA-N 444.509 2.402 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 1467943498 IYVXIHMGKGOOKC-NQCMUKECSA-N 428.917 2.002 30 10 IEEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1503199034 IWBIHEBUZAVNGH-UHFFFAOYSA-N 445.955 2.304 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 1507718493 DRNBWILRAWQWEY-WZONZLPQSA-N 443.523 2.118 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507957166 DEFCMNQUUPKSAZ-CZUORRHYSA-N 449.353 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1508136404 FYTFVOISXQAZTD-LPHOPBHVSA-N 434.562 2.416 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H](C)c1ccccc1 1509695982 OYANSYYFFICALO-IEBWSBKVSA-N 426.521 2.313 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1514144293 MKZKVANSDLSLAJ-MEUCICPISA-N 439.545 2.198 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCCC1=O 1519276314 HZEOHYMIKCMGCV-LAUBAEHRSA-N 436.532 2.237 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(I)cc1-n1cnnn1 1524874314 JIPQEAAFLCXENX-UHFFFAOYSA-N 444.236 2.411 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 1527211465 LNYQUJVPZJTMQG-OBJCAVIQSA-N 432.546 2.133 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2cn3cc(F)ccc3n2)cc1 1527273438 BTJYTZMRXKVKRV-LYBHJNIJSA-N 429.477 2.467 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)C2)nc1 1534510206 OBHLSMBQTCUULQ-HOCLYGCPSA-N 439.403 2.033 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539002521 ULPOYKIVJFAIFQ-UZLBHIALSA-N 431.500 2.359 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1539052013 AZXPRLUJSCRACU-LPHOPBHVSA-N 449.552 2.409 30 10 IEEE C#CCCCCn1c(N2CCS(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086319 DWQSMUQQDGIIQN-CALCHBBNSA-N 435.594 2.421 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1539230306 GEYADVCDXWZDJK-DLBZAZTESA-N 426.608 2.146 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1Cc1nnc2n1CCC2 1539422498 DSFQORDNKRQPMW-UHFFFAOYSA-N 435.532 2.146 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1539516964 GQEHMWWUWQJIFD-FQEVSTJZSA-N 441.601 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCn1cc(Br)cn1 1539533113 KKAMJKBFVDVRAB-GOSISDBHSA-N 434.342 2.068 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1541184777 JNHYNAYQCXXVQZ-ICSRJNTNSA-N 430.597 2.486 30 10 IEEE O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CN1 1543773082 XJMHWQCHJXRAHY-QWRGUYRKSA-N 429.292 2.257 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1545814704 FUVRKDXHXQPCFP-PCCBWWKXSA-N 446.596 2.385 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1547526270 GROIOGABXQMEQT-JOCHJYFZSA-N 448.575 2.424 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNC(=O)C(C)C 1548161080 DXWSTAOGZCQSGJ-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1548276542 XXNSBGCXTWUKEP-GOSISDBHSA-N 426.521 2.260 30 10 IEEE CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1552716229 BYIIYGFQLULRMP-PMACEKPBSA-N 438.532 2.100 30 10 IEEE C=CCc1cc(CNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cc(OC)c1OC 1563246819 RSGZEWUJDIOBRU-UHFFFAOYSA-N 445.497 2.480 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)nn(CC(=O)OC)c1C 1567155139 UAUVTUXXRQNXIE-HNNXBMFYSA-N 428.917 2.325 30 10 IEEE C#CC[C@@]1(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)CCCN1C(=O)OC(C)(C)C 1583621363 NLDYXNGXJXAPPC-VGSWGCGISA-N 436.549 2.311 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1OC 1583857836 NOJOHNPVPQULKN-VURMDHGXSA-N 429.561 2.186 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1587765604 IRHPLTHKLYNFLW-QZTJIDSGSA-N 437.610 2.287 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 1587990609 ZEBDXKUNKCNRIE-KRWDZBQOSA-N 433.553 2.473 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCC(C)CC1 1588159423 WHNKVJWONGHQSR-IBGZPJMESA-N 438.601 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1588560473 QQOVAXDXTRNWHW-RTBURBONSA-N 432.613 2.259 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 1593752916 TYKIWUYIVLRUKH-UHFFFAOYSA-N 440.592 2.405 30 10 IEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1594687143 GFOBCCDTQAPAPF-UHFFFAOYSA-N 444.536 2.399 30 10 IEEE Cc1cc(C#N)cnc1C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1618240509 LOCDKXPTVXFKEF-INIZCTEOSA-N 446.248 2.180 30 10 IEEE COc1cc(Br)c(N)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1618729416 AXAWXDGWBPTFHU-KRWDZBQOSA-N 443.301 2.442 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1620353641 PVHSNLZOICKLSA-FMQUCBEESA-N 437.529 2.197 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 1624017870 CLMSJFZWGQGMAH-IERDGZPVSA-N 427.526 2.025 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(Cc2ccccc2)CCOCC1 1627591658 AXUXYXTYWKPWGP-KRWDZBQOSA-N 427.526 2.133 30 10 IEEE C=CC1(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1630110412 LIZUTSUFRTXYHE-UHFFFAOYSA-N 437.562 2.366 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cccc(Cl)c1Cl 1632025528 AXGHBPLOPAWSRJ-UHFFFAOYSA-N 426.281 2.031 30 10 IEEE C=CC1(CC(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1633274356 UBCNKSBNFDBECA-UHFFFAOYSA-N 429.583 2.072 30 10 IEEE C=CCCOCCNC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1633824339 NOCMHHNJOZBBSI-UHFFFAOYSA-N 444.454 2.444 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CCC4(CC3)CC(=O)C=CO4)=NO2)C1 1639650862 HTJHXTUSIIFWIT-JOCHJYFZSA-N 433.505 2.397 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)CC2)cc1 1643437903 HQLKLVIUQWIGTH-UYAOXDASSA-N 447.557 2.415 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ncc(-c2ccccc2)[nH]1 1644446083 UDMZCWQIICZLEZ-UHFFFAOYSA-N 437.525 2.254 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1645067061 QUWUNAHRYCSHBF-QGZVFWFLSA-N 437.537 2.107 30 10 IEEE CC(C)c1ncc2c(n1)CCN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1646270616 ANGPTZFCXZSHST-CQSZACIVSA-N 427.530 2.002 30 10 IEEE Cc1ccc(C(=O)N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1S(=O)(=O)NCC#N 1649058058 XGVJAGJMZLVSMR-AVRDEDQJSA-N 441.509 2.210 30 10 IEEE N#Cc1cn(CCOCCN2C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2c1=O 1651802567 MDTBMTKIEPQTKE-UHFFFAOYSA-N 432.392 2.094 30 10 IEEE O=C([C@@H]1CCC(=O)N(c2cccc(F)c2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811558 IEAAKJZNGRCZDI-OAHLLOKOSA-N 439.443 2.473 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC#C[C@@H]3CCCCO3)nnc12 1654854771 HJVMJIMUKPAXDA-INIZCTEOSA-N 437.525 2.011 30 10 IEEE Cc1nn(C)c(N2CCN(C[C@@H]3C[C@]4(CCN(C(=O)OC(C)(C)C)C4)CO3)CC2)c1C#N 1658292391 MKSFXZXUQPKBSY-MBSDFSHPSA-N 444.580 2.138 30 10 IEEE COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC[C@@H](O)CC1(C#N)CCOCC1 1660042448 MPPHBMBFVHFDOO-RDJZCZTQSA-N 430.423 2.330 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C2CC2)CC1 1667965235 GRKKVBHWXBJTFZ-NRFANRHFSA-N 432.590 2.131 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1668257039 DBZLRROVSWVOOG-UHFFFAOYSA-N 440.481 2.360 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1CCC(C(=O)OC)CC1 1671510217 HOGLNOINRYLJNF-UHFFFAOYSA-N 442.578 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2Cc3cccc(C#N)c3C2)C1 1675970488 DROAEEHPEXBQMP-KRWDZBQOSA-N 448.545 2.008 30 10 IEEE CC#CC[C@@H](CO)NC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1678354915 JIZKNAYOSVUDOR-SFTDATJTSA-N 443.569 2.397 30 10 IEEE C[C@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1cccc(C#N)c1 1687594890 NJWYOPRJJRAUNJ-YOEHRIQHSA-N 427.505 2.139 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689980688 WFLUUYUATYRBPY-FOIQADDNSA-N 436.603 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCOC[C@H]1C 1690004743 DXYULBWPNDGEPH-LJQANCHMSA-N 429.528 2.129 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](OCC)C2CCCC2)CC1 1690130653 KPNKRYWISWNIHR-NRFANRHFSA-N 442.608 2.141 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1690581596 VCPLWVBNTWXFRH-JKSUJKDBSA-N 430.534 2.372 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCOC[C@H]2C)C1 1690712053 MHIUYJSXNMASGZ-WIYYLYMNSA-N 445.539 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690720191 ALANRSGRVCKJQC-QGZVFWFLSA-N 431.562 2.072 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCCNC(=O)c1cccc(O)c1 1691006652 ORKOAMYISUPSLH-KRWDZBQOSA-N 433.516 2.385 30 10 IEEE CC1(C#N)CCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1692848308 GCDGKGBLUAILCL-SFHVURJKSA-N 435.532 2.182 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3=CCCOC3)CC2)c1C#N 1693405470 ABRPGEYHTCMGBV-UHFFFAOYSA-N 438.580 2.454 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C1CC1 1705481514 IALPZZMZNUBTMB-KXBFYZLASA-N 431.562 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CC 1705482455 ZWPXEOCRCVGPPH-HKUYNNGSSA-N 444.605 2.138 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)CC1CC1 1705581175 UPBCLEHTNJNCGQ-UHFFFAOYSA-N 449.536 2.498 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)SC 1705627043 RUYZEXWNWUPJRE-HNNXBMFYSA-N 436.607 2.076 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCC[C@@H]2C)n1 1705631767 PPNIIGYPUYUKSY-FDDCHVKYSA-N 437.548 2.307 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC2(N3CCSCC3)CCCCC2)CC1 1705642991 ORVMBHBPWFCVKK-UHFFFAOYSA-N 446.665 2.322 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728406 JQPRUNXFFYTQIN-IYBDPMFKSA-N 433.557 2.086 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705883669 QQWAJPZYPQRBQT-UHFFFAOYSA-N 429.525 2.241 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1707218943 FKCCPAVGXUIOEZ-GHTZIAJQSA-N 429.546 2.071 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(F)(F)F)n1 1707831634 HAXFEPGHJHASGY-UHFFFAOYSA-N 445.453 2.295 30 10 IEEE CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1708877353 AFIOQKDBLYFFRN-AZUAARDMSA-N 446.596 2.385 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1709334957 CDBSTSNFLFONMX-HHXXYDBFSA-N 429.546 2.255 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1709850101 DOMLVJYSMCWNPF-QZTJIDSGSA-N 439.564 2.174 30 10 IEEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)Cc1ccc(F)cc1 1711209906 DVIZIHQYWLGOIO-IBGZPJMESA-N 425.512 2.240 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1712390183 JVOFAXAZNMIBNE-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)cc1C 1712648017 ODGMKUBYIGCKHH-JBACZVJFSA-N 440.548 2.154 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1712818718 SOEDNHKFCGAVJG-CZIZESTLSA-N 441.561 2.364 30 10 IEEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC(F)(F)C(F)F)CC1 1712881604 AXJDYMQLUWUHDK-UHFFFAOYSA-N 432.422 2.171 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722367007 LMGDZXVFHJLMCB-POAQFYNOSA-N 446.548 2.352 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722406214 VPLQACNELHTJFL-VQIMIIECSA-N 429.487 2.274 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1n[nH]c(C)n1 1722526961 UBQUODLWIOOLFK-UHFFFAOYSA-N 443.581 2.310 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1722620078 IPZOJEPFIQAMED-UYAOXDASSA-N 430.597 2.462 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1722698223 WICJSLPWZUSOOE-RTBURBONSA-N 440.596 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1722728380 VFBZCPAYJYEAQF-QGZVFWFLSA-N 449.533 2.318 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccnc1OCCOC 1727013961 VUPZEUHGGGATHM-PXNSSMCTSA-N 439.564 2.437 30 10 IEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC 1727245205 GGCCWKANWFXXTL-LJQANCHMSA-N 446.577 2.102 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1 1728523143 INFGOBQUTJNSAJ-UHFFFAOYSA-N 427.530 2.447 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729119447 YDPBOKYOKJNFNO-BSBNDGSWSA-N 428.537 2.325 30 10 IEEE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1F 1729328837 BNUKCKSTDYJOIA-NRFANRHFSA-N 429.475 2.096 30 10 IEEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1729444685 CSOPVGLTUUWGHU-OAHLLOKOSA-N 428.543 2.344 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccccn2)nnc1N1CCC(C#N)CC1 1730888575 HHABNHKTNURGMJ-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)C[C@H]1OC 1730987812 DRGUDPKVFMVUHH-BGYRXZFFSA-N 433.516 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740635139 LOENZPOMTDAAPB-YADARESESA-N 436.512 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1cccs1 1740644393 DOFKJCOYAHWSAW-JOCHJYFZSA-N 434.525 2.358 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C(N)=O)CCCC2)CC1 1740691903 CCYCMOPXQVENSB-UHFFFAOYSA-N 426.952 2.399 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCOCCS(C)(=O)=O 1740732861 SMNPNCAGMBOBMN-JOCHJYFZSA-N 430.574 2.231 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1740941426 KITZTCKUSAYAIC-QGZVFWFLSA-N 433.578 2.192 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740955896 DBAMPQSXWGVMFM-UHFFFAOYSA-N 436.560 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCO2)C1 1740983570 LAIGMBUETAVDQE-DLBZAZTESA-N 429.546 2.396 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(C(N)=O)c2)CCOC1 1741124260 DTBADNKYDFVZMX-KSFYIVLOSA-N 426.521 2.062 30 10 IEEE CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1747410985 IBNDUZPFLNKPRQ-UHFFFAOYSA-N 430.578 2.425 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1748734163 AFUHFPLTFMDHNU-HIFRSBDPSA-N 447.337 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2cccc(OC)c2)CC1 1748982984 GNQOBRDATGSMTH-UHFFFAOYSA-N 448.527 2.040 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1749004350 GQXRKCOXTIEBIU-UHFFFAOYSA-N 436.560 2.083 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749210692 MRPQCYNPQMLEFO-JTSKRJEESA-N 435.569 2.173 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccoc2CC(C)(C)C1 1749683361 QWTXZQSUETYWRF-PXNSSMCTSA-N 443.548 2.486 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)C1 1749708261 JBSYWVBHBXYSOO-OALUTQOASA-N 427.553 2.364 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(N)=O)cc1 1750523990 GRQUCNOGZWFVKX-GUDVDZBRSA-N 438.532 2.073 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OCC)c(OC)c1 1760095356 MWHLELGBAXLXMG-OAHLLOKOSA-N 429.521 2.338 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](CNC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760160018 WGVVUCFPXLWLSF-WMZHIEFXSA-N 431.581 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(CC(C)C)C1 1760195401 BBEPLOPUHJVENU-URXFXBBRSA-N 427.593 2.371 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCNC(=O)OC(C)(C)C)CC1 1760260441 SLBHMYMSEMBTKU-UHFFFAOYSA-N 439.564 2.319 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760379026 FWGONVUEGZTESA-OAHLLOKOSA-N 435.985 2.493 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760464920 RWKTVBPSOMVXHJ-KRWDZBQOSA-N 446.577 2.381 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1)C1CC1 1760470576 WSROHDVCQQGCNA-SCLBCKFNSA-N 425.580 2.012 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@H]1CCS(=O)(=O)C1 1760480525 XPAFMJIKMRBRQA-LJQANCHMSA-N 429.546 2.314 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1760493982 DVPCTGNEANLRDE-UHFFFAOYSA-N 435.532 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(C)C)CC1 1760553401 BPXIGGVFKXBHLI-UHFFFAOYSA-N 449.577 2.479 30 10 IEEE CCOCc1nnc(N2CCC(CC#N)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1766300212 AANMFPPTKOQLQZ-SFHVURJKSA-N 428.512 2.428 30 10 IEEE CNS(=O)(=O)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(C#N)cc1 1767862477 WGCCSUBYHAJCGT-UHFFFAOYSA-N 440.533 2.106 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)CC1 1767960999 HDRCKAYUWDFBJO-OAHLLOKOSA-N 430.534 2.369 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1769729932 BPTJNVMZSIEZNC-QFIPXVFZSA-N 436.520 2.403 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1770335411 CWVCXNNXDQAJKM-LJQANCHMSA-N 442.589 2.174 30 10 IEEE O=C(NCC#CCN1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1850067227 SGVUBPSIXNIMBT-UHFFFAOYSA-N 429.995 2.018 30 10 IEEE N#Cc1ccc(N2CCC(COC(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 1851472300 DNGMQOLHAPTRMW-UHFFFAOYSA-N 439.493 2.163 30 10 IEEE C=CCN1C[C@@H](C(=O)O[C@@H](COc2cccc3[nH]c(C)cc23)CN2CCOCC2)CC1=O 1852329844 XNMZAYTUTVQMPL-RBUKOAKNSA-N 441.528 2.134 30 10 IEEE COc1cccc2c1C[C@H](C(=O)O[C@H]1CON(S(=O)(=O)c3ccccc3C#N)C1)CC2 1853683345 VPYRSQJPTGNNRF-SJLPKXTDSA-N 442.493 2.220 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1862432126 WZOHXQPRLYDELO-GOSISDBHSA-N 430.844 2.466 30 10 IEEE Cc1cc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)ccc1Br 1870151049 KQRVYNORWMEMOP-LBPRGKRZSA-N 431.294 2.405 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(OC)cc3C)CC2=O)cc1 1870159038 BYSVWYAISKEMGP-HNNXBMFYSA-N 446.467 2.456 30 10 IEEE COc1cccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCC(N)=O)c1O 1874316919 QHDRRXUFXILWBT-YDZHTSKRSA-N 441.513 2.464 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2060636245 VVDAFJBEABADDC-RPUYLAQPSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)nn1 2124523630 ISNKCMYVTDTJJU-UHFFFAOYSA-N 447.345 2.207 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247840938 SDDCIUWWCLSTQG-BETUJISGSA-N 437.371 2.475 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2247963277 WDCYRKIDWAHRIB-BZUAXINKSA-N 442.387 2.349 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630726 OEMBXJUFAHAHNV-GJZGRUSLSA-N 434.346 2.275 30 10 IEEE CC[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255648678 DNWIVKQIFGXPRL-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255652660 XUTOUDHOGCKYAP-HDJSIYSDSA-N 435.305 2.305 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255878730 DLFAQUQQRGBZQY-UHFFFAOYSA-N 434.342 2.257 30 10 IEEE CN(CCCN=c1cc(B2OC(C)(C)C(C)(C)O2)cc[nH]1)CCCNC(=O)OC(C)(C)C 2266059411 SEOUQYCHWONUQW-UHFFFAOYSA-N 448.417 2.451 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267143579 KEHJSDNCJQLQPD-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2267263957 LRHMMKITULXCOH-LJQANCHMSA-N 436.365 2.418 30 10 IEEE Cn1cc(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267521130 QVIVCLIOBOHAIA-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267549711 OXAOAXRBQIYJKR-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE Cc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2268608855 WDCGOSADBHXZCH-INIZCTEOSA-N 447.341 2.001 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268634605 ZAJRRPQVFSAIKJ-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2271392530 DUDCUAGRPFQDTH-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306392 MPUUNXZBUMDVAP-FORDYWAESA-N 441.833 2.136 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)c1OC 2296618223 SNRROIZPINBLII-GOSISDBHSA-N 428.489 2.027 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2303309637 WICIPAVHIPGNLJ-IJXRJRJASA-N 428.533 2.294 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)[nH]1 2315391140 YEYCSJZUYHSQID-UHFFFAOYSA-N 429.330 2.215 30 10 IEEE COc1[nH]c(=NCC2(C)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501570 LTBAYKKASAMSFB-UHFFFAOYSA-N 433.358 2.480 30 10 IEEE CCCOc1ccc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OCC 2325716774 XPYWPAAYGMOOPO-UHFFFAOYSA-N 446.525 2.420 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccn1 2328988765 NMSWRSCVZWBKGO-INIZCTEOSA-N 443.577 2.240 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)cc1 2329034825 OIWKSFTYOWCNSD-HNNXBMFYSA-N 431.518 2.158 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)c(OC)c1 2331612592 UIQDXBUIAYUOTI-UHFFFAOYSA-N 441.513 2.429 30 10 IEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 21328200 KACQYWHLCYRUTH-OEAKJJBVSA-N 425.518 2.245 30 10 IEEE CCCn1c(N2CCCC2)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39769847 LXWMHIRJKLIZKP-OQLLNIDSSA-N 446.554 2.324 30 10 IEEE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(C)CC4)c(C)c32)cc1 40815217 PTBLNFCIJGAEIE-PTGBLXJZSA-N 444.557 2.303 30 10 IEEE CC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 58584466 FUMLBBSUGDKFDL-YIOUGBBISA-N 438.467 2.169 30 10 IEEE C[C@H](NC(=O)CSc1nnc(N/N=C/c2ccccc2[N+](=O)[O-])n1N)c1ccccc1 59884766 VRPGEBLWAGAOEN-PUFAJPFRSA-N 440.489 2.316 30 10 IEEE CC(C)(C)NC(=O)CCSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253574761 TURYCSNEKATDEK-RQZCQDPDSA-N 436.454 2.464 30 10 IEEE C[C@H](C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409718303 GHWIBRFCSKOHGK-CQSZACIVSA-N 447.337 2.133 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 440385084 RHHPLYGRGFQJBI-IBGZPJMESA-N 440.565 2.353 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 460382717 AUCOBKOSPZNZKQ-FQEVSTJZSA-N 443.573 2.481 30 10 IEEE COc1ccc([C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)N2CCOCC2)cc1 462102223 LKYWWYAMKNFQRO-NRFANRHFSA-N 447.499 2.343 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1C[C@@H]1CCCO1 463799078 VLSQWAUDFWQPBU-KRWDZBQOSA-N 445.972 2.080 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)cc2OC2CCCC2)CC1 478405388 BFFZRMPFEITURL-UHFFFAOYSA-N 430.549 2.146 30 10 IEEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481252224 GXDOKUIWLGUWCU-DLBZAZTESA-N 443.525 2.063 30 10 IEEE C=CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)c1nc(C(=O)OCC)cs1 483386810 XRZFPAWPUXVFFM-UHFFFAOYSA-N 437.543 2.332 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1C#N 489104718 KHVVYHHZPBXVMM-MRXNPFEDSA-N 438.513 2.379 30 10 IEEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C1 506332183 MJKBYLGBYRMRES-PNCHPQGNSA-N 434.581 2.087 30 10 IEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508934781 KUXJLMIJYWGKAZ-KRWDZBQOSA-N 436.520 2.137 30 10 IEEE COC(=O)C[C@@H](NC(=O)c1cc(C#N)c(SC)nc1O)c1ccc(OC)cc1OC 509313356 IHBSUFOPQXCOMH-OAHLLOKOSA-N 431.470 2.432 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@H]2CCCO2)cc1 516162873 HLCJUFNXBOVMBY-HXUWFJFHSA-N 446.515 2.024 30 10 IEEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N1CCN(C(=O)c2ccco2)CC1 554872512 USBVNFZZOQBSBZ-UHFFFAOYSA-N 438.871 2.413 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 558675682 XNZQGPUMTSFFDJ-UHFFFAOYSA-N 432.488 2.100 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 558994284 DLUOQFHCMJNPTJ-MRXNPFEDSA-N 444.561 2.384 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN(CCO)Cc2cc(Br)cs2)nc1 561786655 WDJJOPJUFAPXQC-UHFFFAOYSA-N 430.349 2.045 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccccc1C 603800838 YKWFHRQUSNYIOM-UHFFFAOYSA-N 437.471 2.291 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670229859 BIMWMYFTKJRIHJ-AWEZNQCLSA-N 448.325 2.085 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 727418160 WMUGZJQTFLABBE-UHFFFAOYSA-N 438.896 2.045 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 730276819 UJHQHCMVSDIFQC-UHFFFAOYSA-N 435.484 2.278 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 730312095 OCYYDXVNECEVTC-QGZVFWFLSA-N 430.486 2.021 30 10 IEEE C#CCN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 731212796 FPVXGNRPEAJRQY-JTHBVZDNSA-N 428.529 2.496 30 10 IEEE O=C(NC[C@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1 733889819 BMHUQSXWGQFCRI-SGRLSNSRSA-N 425.489 2.106 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 742144128 WACBCCGNZRSOAF-UHFFFAOYSA-N 448.491 2.072 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 749789486 VCEMPCOSLPBOBM-MOPGFXCFSA-N 432.590 2.419 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1COC[C@@H]1C(=O)O 757265841 BVLFVNJAONKNAX-FDFHNCONSA-N 448.475 2.133 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757466920 UPKHUPURBFPDLO-GMAHTHKFSA-N 448.475 2.229 30 10 IEEE N#CC1(CS(=O)(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCCC1 759078254 XNVCPJOLFIZZPU-UHFFFAOYSA-N 440.465 2.362 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CCCCC1 760401215 UMMCDGWHDXUTHE-LBPRGKRZSA-N 425.429 2.070 30 10 IEEE CCc1ccc([C@]2(CC)NC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)cc1 768484184 XWNMNBLSAKNNSC-DEOSSOPVSA-N 432.528 2.452 30 10 IEEE C#CCN(C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 774154611 IXWBBTWMSJIMKM-JSGCOSHPSA-N 429.336 2.351 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OC[C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2C1=O 774369946 JCYHDEHPMNKARQ-OAHLLOKOSA-N 430.457 2.261 30 10 IEEE N#C[C@H]1CN(C(=O)CCOc2ccccc2I)CCN1C1CC1 783439620 JACQYMJLTIOIJD-AWEZNQCLSA-N 425.270 2.259 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 783539772 SHWHVGWUACEFGL-KYNGSXCRSA-N 440.512 2.455 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2cccnc2F)C1=O 794447675 KOZCKMRHMJJSQR-OAHLLOKOSA-N 435.550 2.482 30 10 IEEE COc1ccc(Cl)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCF)c1 797818257 TZZFOLIWHBVEGG-HNNXBMFYSA-N 430.933 2.318 30 10 IEEE C=CCNC(=O)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 799967700 LOMDHATUCKFTDO-QGZVFWFLSA-N 432.521 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 802327240 YSWSXSSUAWVRCB-OEAGWNGGSA-N 432.521 2.153 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NCc3cccc(C(=O)NC4CC4)c3)CC2)c1 803922591 BRSBCEMTSCPRTG-UHFFFAOYSA-N 435.455 2.481 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 804460552 YVJBOQUEOHVBEK-VQTJNVASSA-N 428.558 2.178 30 10 IEEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 813563273 IRODOGMBVJVXMI-KXBFYZLASA-N 449.536 2.331 30 10 IEEE Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 917877873 KMWUMOOPTVQJPL-UHFFFAOYSA-N 436.881 2.013 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1)Nc1ccc2c(c1)OCCO2 1084307917 NOVFNVJQAFHYKV-UHFFFAOYSA-N 442.457 2.164 30 10 IEEE C=CC[S@](=O)(=NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)c1ccccc1 1134654449 GSLRFYNVHUWDCD-SSEXGKCCSA-N 426.498 2.048 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1136457766 CMWFPGGNDPMSIB-UHFFFAOYSA-N 437.331 2.321 30 10 IEEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1c(Cl)cccc1Cl 1136630079 GGFHNJXZLBFLJT-HUUCEWRRSA-N 437.258 2.487 30 10 IEEE C=C(C)CN1CCC(NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1136669563 HSHNFPIJYFGZBI-LJAQVGFWSA-N 427.611 2.291 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)NCC2(C#N)CC2)c1=O 1139328457 GIZBYURFYOONGW-UHFFFAOYSA-N 439.310 2.169 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1149819833 MHXYGADTFCXPMI-OALUTQOASA-N 436.597 2.391 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCc2nccc(C(F)(F)F)n2)ccc1F 1158793017 XEABLMDFXOOJDL-UHFFFAOYSA-N 446.426 2.414 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cc2ncon2)CC1 1178377949 GUWGGUSPPHZMTA-KRWDZBQOSA-N 445.545 2.004 30 10 IEEE C#C[C@H]1COCCN1C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1197441077 QYXHGYNAFZVARB-QFIPXVFZSA-N 432.524 2.444 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)c1occc1C 1286273009 CWZZGVGVWZIELA-VGSWGCGISA-N 429.521 2.110 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](OC)C1CC1 1286275603 ONKFACNVKGWHFN-WMLDXEAASA-N 430.578 2.430 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC)C2)c1 1286310377 VTHZLZFCVIDUHJ-LJQANCHMSA-N 444.543 2.133 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1286413555 LARRKNWQEAEJTF-FQEVSTJZSA-N 435.528 2.246 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(=O)N1CCOCC1 1286438811 GXIGGNPMRYTWTK-UHFFFAOYSA-N 449.511 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCCCC2)CC1 1286493325 GDDBGEBNQNXBMF-UHFFFAOYSA-N 440.617 2.382 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286500345 RCMPQCMHEVFHPY-CQSZACIVSA-N 449.378 2.213 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1286666956 ZVDOYGDFJKKZKQ-LJQANCHMSA-N 431.562 2.488 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1286692282 CRCXLSCEWUWISE-HNNXBMFYSA-N 449.577 2.434 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1286788097 PYICSCXHSNSNBW-XLIONFOSSA-N 441.532 2.488 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cnn(-c3ccccc3)c2)s1 1290491820 VCECGCDVWNTEBJ-UHFFFAOYSA-N 430.555 2.300 30 10 IEEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1291107293 HUYYLQKCBVDLCB-YXTQBTIXSA-N 448.637 2.431 30 10 IEEE COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cn1 1291831308 AXERGEVABQESLY-NMWGTECJSA-N 433.534 2.375 30 10 IEEE COc1ccc(-c2nc(C)sc2CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1293031622 DTKDNHCIWDDWGO-QZQOTICOSA-N 426.498 2.312 30 10 IEEE CCCN1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1294670900 UHAZNIOKOILNAJ-OFNKIYASSA-N 446.596 2.169 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296659486 WBEWIXHVBXKSEQ-JOCHJYFZSA-N 428.537 2.364 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1297981645 DBVQPGXOXXMRAR-UHFFFAOYSA-N 445.531 2.166 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H](O)CN1CCCCC1 1299614579 GPOGXUGPYXELFI-PZJWPPBQSA-N 442.560 2.356 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN(CCC)C(=O)OC(C)(C)C 1300505933 KTTKZIRXVQLMIG-UHFFFAOYSA-N 430.553 2.136 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(Cl)cn2)CC1 1300700908 YOBPKSGLCOQJKC-QGZVFWFLSA-N 430.940 2.055 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC2CCN(CC)CC2)CC1 1300729209 QQDAXVIUVRZKQO-UHFFFAOYSA-N 426.609 2.318 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CC)C1 1300743760 ZQNMOAQFSGBOEE-QGZVFWFLSA-N 434.587 2.330 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300875239 MRRLIIRTNIEUGO-AABGKKOBSA-N 441.557 2.421 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1300894203 BGAWIDDTLDDREA-SFHVURJKSA-N 427.461 2.260 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1301371301 BDPRNIUIZNBKHC-UHFFFAOYSA-N 449.353 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301546149 PNDRDJFERCGXRH-IEBWSBKVSA-N 427.530 2.033 30 10 IEEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)CCOCC1 1302124374 QWSZMWABQGYJAC-UHFFFAOYSA-N 443.552 2.021 30 10 IEEE C[C@H](CC(=O)NC[C@]1(c2ccccc2)CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1303938842 WVLIGSPOYMGLMZ-ZHRRBRCNSA-N 427.526 2.326 30 10 IEEE CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306698516 GNOGEBCGDOZLRY-UHFFFAOYSA-N 431.504 2.319 30 10 IEEE C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1308052275 PEQQBKQPUCARNK-GAJHUEQPSA-N 428.533 2.275 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)cc21 1311248478 DHYZSPIFQJLDJD-UHFFFAOYSA-N 440.529 2.224 30 10 IEEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)SC)CCOC1 1314124225 UTAYBMIZNKCPLT-SZNDQCEHSA-N 444.561 2.217 30 10 IEEE CCOCCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1314462451 DVUPWSUSLRDONX-UHFFFAOYSA-N 436.495 2.499 30 10 IEEE CNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1315003829 FEDWFCUDLUUZOZ-UHFFFAOYSA-N 425.518 2.109 30 10 IEEE COCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1 1316267663 GMWABWRUTAYFJM-UHFFFAOYSA-N 432.550 2.063 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1ccco1)N(C)C 1316284556 ALAXJPPVSCKYKF-HPNQWNLUSA-N 432.500 2.340 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1316529076 NGQMNOJVQCAYGM-HOTGVXAUSA-N 443.458 2.286 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1320907622 ABDNOVVAYGXQNS-HZPDHXFCSA-N 434.514 2.088 30 10 IEEE C=CS(=O)(=O)CCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1338368989 NASVVBNUYAANDP-LVZFUZTISA-N 427.548 2.167 30 10 IEEE COCCCN(C(=O)c1csc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1350912522 MUXODGWZDDOOFI-UHFFFAOYSA-N 439.497 2.196 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358961303 WCLNWDQWQACQNR-SFHVURJKSA-N 444.605 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358974364 AVMUMJABNPQBGQ-SFTDATJTSA-N 437.569 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1358980103 JBOPVGCZQCIBBN-UHFFFAOYSA-N 432.572 2.372 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C(C)=O)CC1 1359013281 RKUXQEBWKKSNJO-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC(=O)NCC(F)F 1359015926 KALUSCVCLUJBLB-UHFFFAOYSA-N 430.434 2.444 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)[C@H](C)CCC)CC1 1359037114 WHTJZCVKLMGELY-LJQANCHMSA-N 440.567 2.316 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nnc(C)s2)CC1 1359039105 XBRZXZWBNKKIEK-UHFFFAOYSA-N 443.964 2.474 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359048758 AYZLOYCTAURMMU-IRXDYDNUSA-N 425.624 2.162 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359168040 GBCADECTEDZIPM-INIZCTEOSA-N 449.602 2.393 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1359231342 TYVIKFDUYGLZEO-KRWDZBQOSA-N 447.609 2.190 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)[C@H]1C 1359334035 RDJBBHGJXSEKJX-IAGOWNOFSA-N 428.562 2.352 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)n1 1361287217 FVDXIAAEVLQKRG-UHFFFAOYSA-N 427.266 2.069 30 10 IEEE N#C[C@@H](CCc1ccccc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1443607273 COQWCWKPLCZOEY-RTWAWAEBSA-N 434.544 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CCCCS1(=O)=O 1446731248 GGZTYRJNBMZFPS-MJGOQNOKSA-N 447.557 2.476 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 1452991119 MABAWMKVVMBZPT-BEFAXECRSA-N 429.498 2.198 30 10 IEEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1457391492 WTQNXPSSEHOZQY-UHFFFAOYSA-N 431.352 2.201 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1460238155 GSJZNRPIOCQHNX-VQTJNVASSA-N 447.580 2.427 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C)c1cc[nH]n1 1466294814 VLXRSOGKPGGWOZ-IBGZPJMESA-N 438.488 2.065 30 10 IEEE Nc1nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nc(C(F)(F)C(F)(F)F)n1 1472682128 XKNBLCZQCNNVCF-UHFFFAOYSA-N 438.307 2.349 30 10 IEEE C=CCN(Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)[C@@H](C)COC 1473637000 NQPNCWJHXBTJHD-KRWDZBQOSA-N 436.578 2.100 30 10 IEEE C=CCCCCCCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1478774071 SSJQKYOJUGGKOG-RTBURBONSA-N 430.615 2.194 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1501937841 GAKKBCOVJNKVRX-IBGZPJMESA-N 449.563 2.074 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1503860582 GGKJRIIZBZAPAI-INIZCTEOSA-N 436.438 2.310 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507627076 IJPZXSRVBCVVAT-IEBWSBKVSA-N 444.557 2.007 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCO[C@@H]1C 1507702383 UPMFOYITONLLCD-BOCKYXSRSA-N 428.508 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cnn(C)c1 1507703844 GVGQMONRFGMKQE-UHFFFAOYSA-N 446.353 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2(COC)CCCC2)CC1 1507738948 IWLWBIXIBGHXQC-FQEVSTJZSA-N 443.592 2.345 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1508071109 BBJJSVZJLCHSSG-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1508090943 QFVFZSHCIDHDGQ-IRXDYDNUSA-N 445.568 2.433 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1509555428 BPKFEUFHXOPBLZ-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1510283050 AZYDLGBATVFIOC-MBSDFSHPSA-N 435.532 2.066 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C 1517709758 JFXOGGKTXQCOCJ-PBNKOMEISA-N 442.545 2.005 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)C1 1519374045 LUZYOOLOOSNHFU-FQEVSTJZSA-N 435.532 2.457 30 10 IEEE C=CCCn1cc(C(=O)NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)nn1 1524327550 OVNMYWYBLCTOCI-OAHLLOKOSA-N 446.474 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1538972021 JCEKFNSCOWNQKL-IUKKYPGJSA-N 427.549 2.341 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(SC)CC2)c1 1539037800 ILCAUVFTYPHJJS-UHFFFAOYSA-N 440.573 2.368 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539063777 UXKOGBMJDOKFMM-OYRHEFFESA-N 438.624 2.477 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539219926 GCCMPOSQJVWOSH-UXHICEINSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1539259868 JGWPOGINAZMRHI-RTBURBONSA-N 444.539 2.299 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 1540029197 ZLXMUDIQOIJXSP-UHFFFAOYSA-N 440.953 2.435 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1540069945 ZXKIFWFNGRMRBF-UHFFFAOYSA-N 433.520 2.356 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1Cc1nncn1C 1540128395 LZCLCOADLLDTPZ-UHFFFAOYSA-N 442.531 2.381 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1540493706 ITUQLJWROJDWOA-UHFFFAOYSA-N 438.456 2.178 30 10 IEEE C=CCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1540860782 KYDXNDFMOZVRTI-QHCPKHFHSA-N 425.533 2.469 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2CCN(CCN(C)C)CC2)C1 1540888348 OGZZHLFQMPBMMQ-NRFANRHFSA-N 441.624 2.339 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1544466978 XCJGDCXPLWPPMJ-IWKHNONTSA-N 440.479 2.369 30 10 IEEE CNC(=O)[C@H]1CC2(CCN(C(=O)COC)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548379748 HEFZDPLBPFKSTE-QGZVFWFLSA-N 438.450 2.157 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1557342237 YTSHFJLLHQZAHV-SFHVURJKSA-N 431.514 2.030 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)NCc1cccc(C#N)c1)C[C@@H]2C(=O)OC(C)(C)C 1560134837 SIJQWJNQPLHFON-IQJRZOLZSA-N 441.528 2.017 30 10 IEEE Cn1cc([C@@H]2CSCCCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 1564531880 ZWJOUWQHLNAYBD-OIISXLGYSA-N 434.566 2.369 30 10 IEEE O=C(C#Cc1cccs1)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1566104631 FMTROMFFZCXIFY-UHFFFAOYSA-N 425.482 2.413 30 10 IEEE C[C@H](CC(=O)NCCOc1ccc(Cl)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1569140298 PQTLDSHGURZTNE-GFCCVEGCSA-N 439.896 2.491 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1570842622 OBFMKMHMULRYJW-UONOGXRCSA-N 434.459 2.491 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 1585640130 LVCBPBFAEKCFEO-KBPBESRZSA-N 434.459 2.491 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C4CCOCC4)CC3)C2)C1 1587470342 DGDONEOIOUVPJD-OTQYULQBSA-N 432.565 2.096 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588064591 LFPFNKSCGPIRMG-GOSISDBHSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1588099792 ZDNIDUPKQGFMJR-CYFREDJKSA-N 436.512 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588258950 OBUAVISPOKPASK-QZTJIDSGSA-N 439.482 2.246 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)COCCO1 1588574220 ANZUAOXIYJRKDC-QHCPKHFHSA-N 441.532 2.039 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1594803244 PXSXUOPEPGRQHT-IBGZPJMESA-N 425.537 2.287 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(c2ccccc2CO)CC1 1595602537 MWJXTBUAMZMBBI-HXUWFJFHSA-N 425.533 2.308 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595603114 XYFXFBUHVFNSNZ-GQIGUUNPSA-N 441.523 2.348 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1 1597504331 GSMPCSFUPAPETF-VQTJNVASSA-N 425.510 2.105 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1597975962 FQSPPAZQQWVIGC-CYFREDJKSA-N 449.559 2.036 30 10 IEEE CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603400005 CTYTYNMOFRUPRQ-DJCGZYENSA-N 428.537 2.007 30 10 IEEE CCN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1615240029 SZXDDCVNRYDPHG-XOMICKMZSA-N 428.537 2.467 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1616458556 SBONFCVGJXDUBD-QGZVFWFLSA-N 430.505 2.484 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1617696577 COWJBBVWPOBPSW-KRWDZBQOSA-N 449.353 2.015 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCn3ncc(Br)c3C2)cc1 1618486077 NLZKHXANLFUSLH-UHFFFAOYSA-N 437.319 2.379 30 10 IEEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 1626235733 ORCZJTSDLAPAGH-KRWDZBQOSA-N 431.480 2.128 30 10 IEEE CCc1nn(C)c(OC)c1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1631704411 GEBSTPHGPBWVTP-UHFFFAOYSA-N 432.322 2.378 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cccc(CNc2ncccc2C#N)c1 1634792518 YJJDJSJVSKZKQL-RTBURBONSA-N 427.530 2.013 30 10 IEEE CCOC(=O)c1cn(CCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cn1 1639910082 SCDUPIBINLTVBQ-UHFFFAOYSA-N 427.310 2.097 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2(c3ccccc3)CCN(C(=O)C=C)CC2)n1 1639992275 STVYWOUGTKRNKT-UHFFFAOYSA-N 434.540 2.238 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)Cc2ccccc21 1641293674 CMHWJIXWLRCZJB-SGRLSNSRSA-N 425.485 2.371 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(CN(C)C)cs1 1645636998 BEBLIAYTHPGWSW-INIZCTEOSA-N 449.602 2.118 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4F)CC3)n[nH]2)cc1 1662973590 FGSJYVFDCZAEQN-UHFFFAOYSA-N 436.472 2.470 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccn(CCN2CCNC2=O)n1)c1ccc(Br)cc1 1664800150 UEBNTZLXGFPXSV-OAHLLOKOSA-N 431.294 2.167 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)C1=O 1665389038 OWVHISBMQHRZNT-RDJZCZTQSA-N 444.536 2.452 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CC1 1669307990 KIVXZBYNJPBWQK-UHFFFAOYSA-N 427.501 2.094 30 10 IEEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)Nc3cc(C#N)c(F)cc3F)CC2)cc1 1680092498 GJVAPNIZWLKGOK-UHFFFAOYSA-N 435.456 2.099 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1685423662 NXRQOZYZURNVSS-RCCFBDPRSA-N 444.536 2.173 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)NCCn1cnc(C#N)n1)CC2 1686408132 SEIDGUGLPXBFTQ-INIZCTEOSA-N 431.541 2.266 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689993525 GEDYUTGERQOPLS-FQEVSTJZSA-N 430.574 2.115 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC 1690058478 WONNUYOAWDUILB-UHFFFAOYSA-N 430.940 2.093 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccc(C)c(F)c1 1690102369 JNAALBZWAOHEPZ-HXUWFJFHSA-N 443.523 2.483 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2cnn(C)n2)CC1 1690414929 QDZVTUCCDLVQDE-UHFFFAOYSA-N 440.577 2.433 30 10 IEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690493344 FKZLNMCOUPEEOH-KRWDZBQOSA-N 426.521 2.388 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOC2=O)CCOC1 1692579518 BNGYIUJPZHAQSY-QFIPXVFZSA-N 446.552 2.291 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)c1=O 1695790510 GDFWJWUJMFKLHY-UHFFFAOYSA-N 428.500 2.380 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CC1 1696687839 AQSSXUKYKUIDRV-JGCGQSQUSA-N 449.540 2.345 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCCn1cc(CO)nn1 1697556889 APBGGOLVRDVEGV-UHFFFAOYSA-N 436.520 2.258 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C#N)CC1 1697936053 CGQCOKBFGFUUDF-JOCHJYFZSA-N 429.521 2.393 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1705495753 UUXGCZLNFZIQBN-WIYYLYMNSA-N 441.601 2.087 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1705504983 FVEZJQIWZCMVBS-RDJZCZTQSA-N 430.553 2.334 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705565524 IVZSVTIRICDRIJ-IBGZPJMESA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1SC 1705582586 DXJWUTPHAZSEGH-HNNXBMFYSA-N 432.546 2.162 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1705662200 SJCBXNSTAXFLKM-NRFANRHFSA-N 440.552 2.260 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705734731 AOGZLPFVXMEADH-GOSISDBHSA-N 443.552 2.238 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705825465 UMKYBBZWPJLJPI-IAGOWNOFSA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705830255 LPVGMTGGJLPYSY-HOIFWPIMSA-N 433.553 2.478 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705898253 GTHPVRVVPVEHDN-AEFFLSMTSA-N 436.516 2.036 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC(C)CC2)C1 1705914450 MWXZZSVWKJQLOH-LJQANCHMSA-N 439.564 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1705930176 HMMWKKQMOWTMMK-SFHVURJKSA-N 449.621 2.135 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCN2CCCC2)CCOC1 1706678119 BZBWQUMLSFLUAZ-REWPJTCUSA-N 446.596 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1722293626 DIFIUQHMAXUMIE-WMZOPIPTSA-N 433.553 2.266 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722359873 QIHRBQSHPRCOAM-NRFANRHFSA-N 443.617 2.474 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722362417 UDSAHOXICXBYTF-MRXNPFEDSA-N 429.571 2.329 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)CC1 1722433858 IJDIMLAXEAFUOR-UHFFFAOYSA-N 449.628 2.399 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2csc(CC)n2)CC1 1722448991 KEEQXICEYPXREO-UHFFFAOYSA-N 449.584 2.297 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CC(N)=O)C1 1722492323 AYFBGMVZTUNEJZ-YCPHGPKFSA-N 442.358 2.003 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722701249 KOIDPGZIVKRYDC-KRWDZBQOSA-N 443.552 2.397 30 10 IEEE Cc1noc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1726432203 HGLGVKKEIWOIQS-GOSISDBHSA-N 440.529 2.341 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CCO1 1727835076 IALVKJCZDQTSTA-SBHAEUEKSA-N 441.532 2.395 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1730572944 HZZSTNYEWDMLQK-ZWKOTPCHSA-N 429.546 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1740546180 GNLJEBMGUMBNRU-MRXNPFEDSA-N 430.516 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740552890 YJQMYGNSXPANDH-RDJZCZTQSA-N 428.537 2.254 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1740625811 QGLDCOZCCZWSCH-HNNXBMFYSA-N 437.363 2.278 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCCC1(C)C 1740630742 LNLNGKHPODLSLU-HSZRJFAPSA-N 440.569 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1C 1740656447 JZVSCKGULJRSKY-FQEVSTJZSA-N 440.569 2.421 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740667251 WAOPLGQIFXVZPG-UHFFFAOYSA-N 429.528 2.148 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCOC1 1740676530 FUZICLAZAZNGOA-MOPGFXCFSA-N 446.548 2.386 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCO[C@H]2CCOC2)CC1 1740697213 VXWKOSMZGKYPKT-SFHVURJKSA-N 445.514 2.098 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740874762 HJGWRXOUNRRALU-GOSISDBHSA-N 449.559 2.463 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1740986404 ZXSUMHOUKQCSRE-HCLVMJGWSA-N 439.516 2.050 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]3CC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740994165 NKOKTBMHKNPUNA-LVCYWYKZSA-N 438.594 2.298 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2ccc(C#N)o2)n1 1742688050 MTZDZAHBUFPUOL-UHFFFAOYSA-N 439.520 2.488 30 10 IEEE CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1745817638 DZHGPTWIFZYMSZ-SFHVURJKSA-N 444.561 2.152 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1748907388 TWFJMSMKGUIKGM-LJQANCHMSA-N 425.533 2.400 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCCC1 1749073760 YNBVENJUANULAA-HSZRJFAPSA-N 426.565 2.185 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)nc1 1749165492 GOYUZKRPNSMAIC-UHFFFAOYSA-N 439.564 2.083 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cc(-c2ccccc2)[nH]n1 1749740357 DDHDEJBPZBJSHQ-UHFFFAOYSA-N 438.517 2.413 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]2CCC[C@@H]21 1749741066 ODPRPJSOVSLLHD-VJANTYMQSA-N 438.594 2.372 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2)cc1 1750384545 DJTPVVFJCRKMKU-OAQYLSRUSA-N 435.532 2.334 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(F)F)C1 1750419122 MMUJQHFNQPOCAS-FCWMDHMBSA-N 436.463 2.138 30 10 IEEE C[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)Cc1ccccc1 1751110059 ADZJRDQQLVBDGI-WIYYLYMNSA-N 434.548 2.318 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCOCC1 1760100959 GDHSOTJXHUSZKO-HNNXBMFYSA-N 430.578 2.431 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1760108545 ZCGMBTSHAXFILK-SBUREZEXSA-N 427.549 2.267 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760156581 LRYYNHWIDPCCAM-LJQANCHMSA-N 440.617 2.477 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1760197264 YYANEQNQMUUUFC-RUZDIDTESA-N 449.555 2.190 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1 1760219409 DEZZYTVAZPZICA-LJQANCHMSA-N 426.542 2.112 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCNC(C)=O)CC1 1760387944 AYMABMHKTKSRGX-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)N(C)C)CC1 1760398388 WGNPBRAOFBVKDX-UHFFFAOYSA-N 445.593 2.037 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1760499142 PMPJPSZFLBXMHV-DVECYGJZSA-N 439.560 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760548636 MDYIASSTCPSIAO-UHFFFAOYSA-N 448.549 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(C)C)CC1 1760554083 QVYQZANVPLOHEZ-UHFFFAOYSA-N 432.594 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCOC(C)(C)C1 1760557432 LMVJDHYXHMYMRP-UHFFFAOYSA-N 434.562 2.382 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)[C@@H](C)C1 1760608370 DBEBDAKBJKNBCG-KRWDZBQOSA-N 449.559 2.180 30 10 IEEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1765259206 HMSLHWULNMSIJP-HXUWFJFHSA-N 444.605 2.419 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CC#N 1766722541 CJVQVTDHKWKZCS-INIZCTEOSA-N 441.561 2.479 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1768930785 CVQOUBFOXCABCC-ZQHDKMAOSA-N 431.562 2.153 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1769194299 ADSHHZJTVGSCIJ-GOSISDBHSA-N 437.548 2.084 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1769719212 XZBGGJLOSHVVRZ-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](OC)C2)CCOCC1 1770074142 YGBPEIMPVLUMMJ-HXUWFJFHSA-N 441.532 2.254 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1770683078 UKIKKLYFASUMGI-MJWGMMHASA-N 430.553 2.397 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1771470666 OHOFDAMRRUHZNH-KRWDZBQOSA-N 441.561 2.086 30 10 IEEE C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1851053871 LPTGOJFEFLKGPO-NRFANRHFSA-N 431.602 2.305 30 10 IEEE CC(C)Cn1nccc1[C@H]1C[C@H]1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851986512 BXRDJEZTXSRKPV-RBUKOAKNSA-N 432.532 2.171 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cnn(-c3ccccn3)c2)cc1 1852958120 KJOGIRYEKIGVRF-OAQYLSRUSA-N 433.468 2.076 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1853746949 PCHJWQSOZASKDY-FQEVSTJZSA-N 431.558 2.164 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866930108 YDHMRPODKLQELW-CTNGQTDRSA-N 439.537 2.439 30 10 IEEE Cc1ccccc1OCCCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c(O)c1 1874248691 SDOVVQBOXRBLGF-FSJBWODESA-N 441.513 2.469 30 10 IEEE CCSc1nnc(CNC(C)=O)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874433688 SRYBQMPZNWUALX-CNHKJKLMSA-N 428.312 2.385 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)N1CC(COc2cccnc2C#N)C1 1891508932 QGSMNSPZVXQHPL-UHFFFAOYSA-N 431.452 2.276 30 10 IEEE CC1(C)OB(c2ccc(CN=c3[nH]ccnc3I)cc2)OC1(C)C 2057937102 LOGZCRXYUVJWLH-UHFFFAOYSA-N 437.090 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060624474 YKKGOBXYADYRRK-SUJWCBCASA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060639883 NBCKNWITVKVJEV-HNNXBMFYSA-N 430.314 2.280 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2068909630 ZUJDOOOBWAMGMV-QGZVFWFLSA-N 435.374 2.328 30 10 IEEE Cc1nc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2116142614 OVODKHAASSVPSN-NHCUHLMSSA-N 436.365 2.174 30 10 IEEE Cn1ncc(I)c1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2224131816 SQQXBSFHIBFZNC-UHFFFAOYSA-N 440.094 2.331 30 10 IEEE CC(C)(C)OC(=O)N1CC(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248398426 UCUBHTPMMRFUIF-UHFFFAOYSA-N 437.371 2.316 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCC1 2255613967 DOFXZCPQZIWILG-UHFFFAOYSA-N 434.346 2.134 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255665954 MKYAKOSNEAHKDL-UONOGXRCSA-N 434.346 2.084 30 10 IEEE C[C@@H](CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255827947 ADQAVOPYKHOKAM-KRWDZBQOSA-N 426.370 2.360 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255828223 REILHIRSIXRQEJ-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE COCC[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2256721226 RBKCVCITYQSZJZ-JOCHJYFZSA-N 436.358 2.401 30 10 IEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267144291 UOLZZXCCGLACSX-INIZCTEOSA-N 448.373 2.426 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 2267149559 OMOSKNVVBUOLHX-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCCN1C(=O)OC(C)(C)C 2267188250 JTJSUEGIYAADAK-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)n1 2267196101 CKIWKHXQDHQJFR-LLVKDONJSA-N 446.317 2.270 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267499046 YTRITLGMLQXKAE-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267510891 SUIMYFNNBATAGU-GOEBONIOSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527467 HZNCADKSJJMJMR-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE Cc1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267600965 OJXMLJMEFYHIQW-IRXDYDNUSA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCOC1 2268715984 BSONODWSLXDJAY-JOCHJYFZSA-N 447.341 2.393 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2269900332 KMVOCDNLEIVFMN-INIZCTEOSA-N 448.369 2.334 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cccn1C 2330726926 KCGLEICLJYWMHD-UHFFFAOYSA-N 439.545 2.483 30 10 IEEE N#Cc1ccccc1OCC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13665094 GMHGIWLLVNYBFO-UHFFFAOYSA-N 443.463 2.472 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)CC1 27559787 SCLZLNPFGJJPKU-UHFFFAOYSA-N 428.621 2.179 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccncc3)n2)cc(OC)c1 59023610 RJCQJIIWLNTFLJ-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE CC(C)(C)OC(=O)NCCc1ccc(S(=O)(=O)/N=C(\O)N[C@H]2CCC[C@@H](O)C2)cc1 77273694 GWUTXPHWFKUPSD-JKSUJKDBSA-N 441.550 2.250 30 10 IEEE in-vitro COc1ccc(OC)c(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)c1 170178857 BTVUFRBHTMWLRH-UHFFFAOYSA-N 448.527 2.049 30 10 IEEE CC(=O)O[C@H]1CC[C@]2(C=O)[C@@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 254316571 JLZAERUVCODZQO-UHXZJVTMSA-N 446.540 2.469 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cccc(N4CC=CC4)c3)C2=O)cc1 460371301 GOSGOCJGRNTHQQ-OAQYLSRUSA-N 429.480 2.456 30 10 IEEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1 460900181 BPWMMSAJAAGTLP-UHFFFAOYSA-N 427.482 2.367 30 10 IEEE CCOC(=O)c1cnn2c(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)ccnc12 482578643 PYWIZLMACLSUIE-UHFFFAOYSA-N 432.484 2.194 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(CCO)[C@H]2CCO[C@H]2C)cc1 483298900 WRKFMFOMJGMLIW-UWJYYQICSA-N 426.517 2.385 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508495451 VCUHJGXLWPWTFA-GAJHUEQPSA-N 439.516 2.349 30 10 IEEE C=CCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1C(F)(F)Oc1ccccc1 508816113 GEYOTNSDVJCLAF-MRXNPFEDSA-N 446.502 2.382 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 512713604 DQHFWWOXKDKNMQ-UHFFFAOYSA-N 431.924 2.159 30 10 IEEE Cc1ccc(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526685108 KQWICIZTCVOIQE-UHFFFAOYSA-N 448.548 2.354 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C[C@H](C)C#N)C1CC1 533597052 VDPSTDIAXXBSJB-MRXNPFEDSA-N 434.562 2.432 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 533693289 WORFOSFQJCZSKD-INIZCTEOSA-N 432.492 2.485 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccc(F)cc1 535138184 QNAKUOOBCZKJNP-UHFFFAOYSA-N 441.434 2.098 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCCO3)CC2)nc1 572182717 LZBPDMDVLGQZCC-FQEVSTJZSA-N 430.516 2.036 30 10 IEEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 582038305 FEFBJBMJEGSBFJ-TZIWHRDSSA-N 437.500 2.265 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1C#N 587975242 RUPRBMSGZKBUDP-LJQANCHMSA-N 437.569 2.413 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1OC 736273219 XQDWJBUXCIBBFO-HZPDHXFCSA-N 426.535 2.259 30 10 IEEE CCN1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)CC1 747435710 LVWRJZULZMYKPZ-UHFFFAOYSA-N 427.549 2.043 30 10 IEEE CNC(=O)c1cccc(CCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 751628972 RNLBNLCUANWNII-LKUDQCMESA-N 442.541 2.430 30 10 IEEE CN(C)c1cccc(-c2nnc(SCCS(=O)(=O)c3cccc(C#N)c3)n2N)c1 753940994 ZWRNCAQJRZDQRO-UHFFFAOYSA-N 428.543 2.163 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ncc(Br)cc1Br 759753640 CNIPICQPBTWJPB-ZETCQYMHSA-N 435.072 2.164 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 764431496 ZBJLCZHLKXUABM-KRWDZBQOSA-N 426.477 2.494 30 10 IEEE C[C@@H]1CCCN1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 769867233 ZQJRHGIAYYAXFB-MEUCICPISA-N 428.580 2.421 30 10 IEEE CC1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)[C@@H]1C#N 769891524 DJXGCOKONVGTRO-SIBGDRKGSA-N 430.574 2.145 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(N3CCOCC3)n2)C1=O 774263223 HVVOVLZIABRQLL-SFHVURJKSA-N 439.541 2.186 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnn(CC(F)(F)F)c2)c(C(F)(F)F)c1 786932408 CLMOQFZGUOIHFB-UHFFFAOYSA-N 426.298 2.455 30 10 IEEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 798361462 DTCOJVBPJQVHQY-HKUYNNGSSA-N 430.574 2.352 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1C[C@@H]1C(F)F 807935110 PZLQOBOSGGNZCB-DUVNUKRYSA-N 440.516 2.348 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812309761 DQYULEJHFWOWIL-MSOLQXFVSA-N 440.525 2.497 30 10 IEEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(F)cc1 812750730 CZVCSHNZILLIPP-MJGOQNOKSA-N 442.468 2.254 30 10 IEEE Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCC2)c1=O 814254783 IAAQSMGXDXMLCD-UHFFFAOYSA-N 447.358 2.003 30 10 IEEE O=C(OC(C(F)(F)F)C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 816218498 TVHFKQNKCFJWHY-UHFFFAOYSA-N 439.305 2.497 30 10 IEEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c1=O)O[C@H](C)C2 839203765 DXBXGEHFKWNNEA-CYBMUJFWSA-N 433.464 2.397 30 10 IEEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 1116409878 IMIWSVLOGYMHTA-GOSISDBHSA-N 433.533 2.122 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1149820009 MHXYGADTFCXPMI-RBUKOAKNSA-N 436.597 2.391 30 10 IEEE CC(C)N(CCS(C)(=O)=O)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1151143654 ACXYCJMSKPMZOY-UHFFFAOYSA-N 428.352 2.039 30 10 IEEE COC(=O)c1ccc(Br)c(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 1166220727 CQJYMELAYRQBCV-UHFFFAOYSA-N 446.301 2.150 30 10 IEEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)cc1 1167391263 GASCMOQUZHXEEJ-KNQAVFIVSA-N 437.540 2.472 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 1251528358 KTVHMWCDSMXNTC-GOSISDBHSA-N 434.968 2.225 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1253673550 MIUBOPDYOGDSHN-FQEVSTJZSA-N 438.601 2.268 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1254047732 HZUOCRBMKDGRFA-IBGZPJMESA-N 432.521 2.352 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCc1ccc(OC)cc1 1286297003 UIIRUFAKYHENPC-IEBWSBKVSA-N 446.573 2.254 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286483897 COFDSANEKHPVRT-CVDCTZTESA-N 441.601 2.174 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1286549129 DOCSHZXSTAZIED-MJGOQNOKSA-N 432.546 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286554156 GWJYQVVAUJLOMU-TVFCKZIOSA-N 426.583 2.370 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286634711 BCEHICXRNHYVCI-FQEVSTJZSA-N 433.944 2.188 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286788846 HXOZHENYVMYMKW-HXUWFJFHSA-N 438.576 2.222 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](CC)C1 1286791129 NLJFLBIOKKBEOY-QAPCUYQASA-N 429.546 2.425 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)OC(C)(C)C)C1 1286811824 GGHAFNGLTMRXMA-KRWDZBQOSA-N 448.568 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(COC)CC1 1286816909 MWKLIJSKFGNDKI-UHFFFAOYSA-N 448.545 2.137 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@H](C)O1 1291278769 BOARASHRDFHWBY-CALCHBBNSA-N 426.521 2.211 30 10 IEEE C#C[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1298586247 RQFBPROGECYCGO-QZTJIDSGSA-N 430.526 2.006 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(=O)NCC=C)c1 1300331377 JYFGUXRCCKLQDT-UHFFFAOYSA-N 432.484 2.205 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300870214 RHXGTKQJJIUCOB-RRTYHCDHSA-N 444.624 2.385 30 10 IEEE C=CCn1c(N2CCC(Nc3cc(OCC)ncn3)CC2)nnc1[C@]1(OCC)CCOC1 1301474054 RZIFQIRSQNTRIP-QFIPXVFZSA-N 443.552 2.386 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c(OC)c1 1303386396 YXEYBUOSWYRLDD-AQNXPRMDSA-N 430.545 2.461 30 10 IEEE C[C@@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 1303880027 DICHDDBRYLOCFQ-UXHICEINSA-N 441.492 2.337 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1ccccc1F 1316167852 IWBXVXUSBOPIBK-MRXNPFEDSA-N 444.511 2.311 30 10 IEEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1316263467 NJBJOPJIJGJNAF-KRWDZBQOSA-N 441.305 2.151 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1316320868 HVFGPFYBSZEMIR-GOSISDBHSA-N 426.521 2.116 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1316532176 MWRGMLMNNDFWNB-RVKKMQEKSA-N 430.450 2.498 30 10 IEEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CCCOC1 1348507718 DPIDQIQJJMUVET-QGZVFWFLSA-N 432.329 2.147 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1358936627 SLJCHKULJMOSMA-KSFYIVLOSA-N 430.553 2.465 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1358955578 OUIVBSKBAUHZJG-IBGZPJMESA-N 432.594 2.237 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1358958310 LEOIXGXAOCVOQT-KRWDZBQOSA-N 429.502 2.280 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(C)CN(C)C1=O 1359018929 GUEBSYAKJRUMRG-AOMKIAJQSA-N 429.496 2.122 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(F)c1 1359048865 CMGJXXHLCMBQSX-ZDUSSCGKSA-N 443.545 2.169 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCN(CC)CC1 1359238155 BALIUFVGCYGODG-UHFFFAOYSA-N 436.564 2.244 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H]1CCS(=O)(=O)C1 1359263169 RYNZYZBCBLCYBP-OAHLLOKOSA-N 430.559 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1359296630 PIQOMJGACLTIHO-JOCHJYFZSA-N 429.521 2.270 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1359571944 YWXDYNVARBIGGL-GOSISDBHSA-N 437.504 2.460 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCCC1 1359702875 LGJLGAYEIYBKRC-UHFFFAOYSA-N 444.561 2.294 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1359926753 AKCLQMAQCFKSAL-SFHVURJKSA-N 433.582 2.412 30 10 IEEE CC(C)CSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1360083022 TZMLVFGVMZDOPR-UHFFFAOYSA-N 448.618 2.288 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cccc(CN2CCCCCC2)c1)c1cc[nH]n1 1442606573 ZTPKFYKUXBZXEX-UHFFFAOYSA-N 441.532 2.386 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)s1 1448002344 DHOVZYUZEAFFHI-GJZGRUSLSA-N 443.591 2.128 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1461310312 UBHODTQWJSOTCG-KZULUSFZSA-N 442.825 2.092 30 10 IEEE CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1471150002 HYDOBNUIJFVFFZ-IWHJNQCMSA-N 442.299 2.108 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1503217754 BDCMHDUTKDDBJL-LJQANCHMSA-N 446.502 2.399 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCn1cc([C@@H]2CCOC2)cn1 1507712786 PHOJFBQPWUAJHK-UYAOXDASSA-N 428.537 2.006 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCC2)CC1 1507754396 XDIJLCIEOXLSTE-UHFFFAOYSA-N 444.630 2.311 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507754784 ZSCLODXEWUQWKV-GOSISDBHSA-N 429.594 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCS(=O)(=O)CC 1507802872 DDNZWSHYFNRMBT-QUCCMNQESA-N 433.578 2.116 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507880537 JRGZZPMYLICEFC-MRXNPFEDSA-N 433.578 2.320 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1508021096 RFIIHQGKMRUYDG-SFHVURJKSA-N 448.568 2.291 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ncc(Cl)n1C 1508091039 JSOCOURNXXICOW-UHFFFAOYSA-N 443.939 2.491 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1508097428 IHUVTBQPUNVZFM-OXJNMPFZSA-N 439.507 2.104 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1508141359 VJJKKLZZAZKKOC-KRWDZBQOSA-N 442.520 2.469 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1509951220 XCEICMODICNCEQ-DLBZAZTESA-N 436.557 2.487 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)C1 1510293588 SIUFIKNRTDQGHE-QFIPXVFZSA-N 444.486 2.136 30 10 IEEE Cc1cccc(-c2nnc(N3CCS[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511144562 YSMUZULADUIZGL-MEUCICPISA-N 439.545 2.117 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCO[C@H]1CCOC1 1513918845 WDPAVPXGFBFJCH-KRWDZBQOSA-N 428.512 2.373 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCOc2ccc(F)cc2)cn1 1517376586 RUENWVGEPVJPFT-LJQANCHMSA-N 425.468 2.406 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(C#N)cc(C)n3)c2)CC1 1527214206 FOGMYPHGZUTPCL-UHFFFAOYSA-N 447.948 2.494 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(C#N)cc4[nH]3)CC2)cc1 1530614911 DAJIJKVCFHKQLX-UHFFFAOYSA-N 439.497 2.483 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCC34CCOCC4)CC2)cc1 1535582988 NGRNLJGXJNMDFM-LJQANCHMSA-N 431.558 2.282 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCCC1 1539178578 IQOHOYUTZZVNAR-SJORKVTESA-N 433.603 2.148 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1539220597 UBODTAYJAKIDEC-LJQANCHMSA-N 439.541 2.149 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1c2ccccc2C[C@H]1C 1539391489 DEHSUYCXHRKIHI-LJQANCHMSA-N 436.560 2.051 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccn2)CC1 1539525264 XIDRCYKTVAFXEQ-UHFFFAOYSA-N 425.587 2.413 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539751621 QNSVCKGTYFXQNC-IBGZPJMESA-N 440.548 2.122 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1540864203 SKOREKQEPKCIGZ-UHFFFAOYSA-N 432.326 2.088 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541276216 UPTSJMNUQJUPBB-NRFANRHFSA-N 446.559 2.156 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCOC1 1541716852 LOAPCPVYHSAAJZ-QHCPKHFHSA-N 440.548 2.305 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CC1 1541803376 HBFQQHQUYCWDMV-ZYSBOAIWSA-N 442.593 2.102 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(CNC(=O)Cc3ccc(OC)cc3)cc2)CC1 1544630286 GVDLKCIKIQZKMO-UHFFFAOYSA-N 449.507 2.473 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1547418036 KCEQVTFBFDFNBJ-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE COCCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C[C@H]1C 1555595416 PUTYYZJSWGDACJ-OAHLLOKOSA-N 441.561 2.304 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1555711509 YFSAOMUTDGXFIC-WOJBJXKFSA-N 427.505 2.070 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)c1 1557637775 CWTUASLYMFKIJS-SFHVURJKSA-N 425.466 2.007 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)c1 1559371799 AHPHKZXNLJODGR-UHFFFAOYSA-N 426.436 2.220 30 10 IEEE C=CCN1CCC(NC(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)CC1 1562813346 NKEWEWNQCJNHGQ-UHFFFAOYSA-N 437.386 2.368 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)c1N 1568798496 VORFXHWDXJOWQJ-UHFFFAOYSA-N 430.255 2.396 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1587662826 QWTXTZRCYSTKHZ-VQIMIIECSA-N 437.523 2.081 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1587851735 OFQWIOCESHLNCM-IBGZPJMESA-N 438.532 2.251 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1588011947 PFMWKIDDGQZOIB-QFIPXVFZSA-N 433.560 2.110 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1588161967 DJHXTLLOQQHKDT-MRXNPFEDSA-N 432.933 2.018 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1589047660 DUQYMPZYYIHYEW-INIZCTEOSA-N 440.577 2.468 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1589047786 JGEOKURPQJNHBJ-OAQYLSRUSA-N 426.521 2.282 30 10 IEEE C#CCSCCn1c(N2CCN(CC(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589125420 KMIFMAUWOCEOIF-FQEVSTJZSA-N 443.564 2.072 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1589664321 XWFWVDQUUSBOTM-ULQDDVLXSA-N 429.562 2.152 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1 1597081152 GUVSWOBEZJHTIS-UHFFFAOYSA-N 431.489 2.250 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1611301820 ARTSHOGUEMKIFU-KRWDZBQOSA-N 444.609 2.462 30 10 IEEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1614415194 BMLVHCMGCWGXTK-IBGZPJMESA-N 440.548 2.099 30 10 IEEE CN(Cc1ncnn1CC(F)F)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1618706453 QMRIRUMZEVMOQA-LQZXRHCMSA-N 438.479 2.288 30 10 IEEE COC[C@@H](F)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619624908 BOAZSQOZIQQEJJ-PKOBYXMFSA-N 428.512 2.327 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OC)nc1OC 1619980099 CHRBPHBJHDVHTJ-OAHLLOKOSA-N 430.509 2.203 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)C[C@@H](C)C1(F)F 1620318461 HWUDWNGVTFVNGQ-OKILXGFUSA-N 443.462 2.028 30 10 IEEE C=CCC[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OCC 1627753034 WUCKKECBUDWVFM-ZDUSSCGKSA-N 433.324 2.033 30 10 IEEE CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1628708213 HEAHMCLSSLBOBK-HNNXBMFYSA-N 436.390 2.218 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1630441492 CHLROBXTOFNOJA-LIRRHRJNSA-N 442.497 2.390 30 10 IEEE CCOC(=O)CON=C(C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C)c1cc[nH]n1 1632051257 BKPQGERGZRHZKL-LBPRGKRZSA-N 449.305 2.429 30 10 IEEE C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1633092513 TYGPABJBWXOOMK-PDIVGGKMSA-N 434.581 2.077 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@](O)(C(F)F)C2)cc1[N+](=O)[O-] 1635929534 UHCBIERORVGEQX-LJQANCHMSA-N 435.387 2.223 30 10 IEEE C[C@@]1(C(F)(F)F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1635999878 UNMIKJKHGGGMQO-SFHVURJKSA-N 445.463 2.139 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(C)(F)F)CC1 1636177458 LZUPWWPNOXQCFX-INIZCTEOSA-N 442.532 2.083 30 10 IEEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639629812 CPCSDXZMYGDLBD-MOPGFXCFSA-N 447.377 2.372 30 10 IEEE Cn1c(S)nc2cc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)ccc2c1=O 1640509228 LOZBMBQGJBOUOV-UHFFFAOYSA-N 433.537 2.488 30 10 IEEE COCc1n[nH]c(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 1640926814 OIKYKPXOYXYHRF-UHFFFAOYSA-N 436.497 2.484 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3cccc(C(=O)OC)c3C2)ccc1F 1643539609 BRRPTFVFIWTEJS-UHFFFAOYSA-N 432.473 2.275 30 10 IEEE Cc1ccc(C(=O)NCC(=O)c2cc3c(s2)CCCC3)cc1S(=O)(=O)NCC#N 1645900936 VSLPRGDFUVFPBB-UHFFFAOYSA-N 431.539 2.350 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CO1 1648486760 BVARCPIPDGPTFW-RTBURBONSA-N 428.533 2.480 30 10 IEEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2nc3c(cc2C#N)CCCCC3)C1=O 1656822607 AHHGUWMJOMAQTB-DEOSSOPVSA-N 447.495 2.489 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 1672960033 JDLGKAYOSXZKEG-UHFFFAOYSA-N 442.497 2.212 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(I)cc(C(=O)OC)c2)C1 1675928913 UUHHPWPEHMVDIL-CQSZACIVSA-N 441.269 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCOC1 1689831193 GWKXJTPKWHEGEX-WBVHZDCISA-N 430.578 2.431 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1689876517 BTQQJPVAUSEVCJ-GOSISDBHSA-N 430.578 2.018 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1689926279 LRUIAXSZRDHJMC-QGZVFWFLSA-N 447.543 2.316 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCC1 1690018171 WTCKOISCHSCPII-GOSISDBHSA-N 427.549 2.380 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)cc1C 1690104285 RPSCVHAAFWRSLA-FQEVSTJZSA-N 430.574 2.126 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2c[nH]c3ccccc23)CC1 1690111815 KJVPNESAWHWWQA-IBGZPJMESA-N 436.560 2.481 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690163606 LDCBIVHSMHKPSE-GHTZIAJQSA-N 441.601 2.477 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690175108 PYXTWLRYLDSDOC-AWEZNQCLSA-N 435.491 2.171 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690511001 MDVWNKHQZCTPIP-QHCPKHFHSA-N 444.580 2.418 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)CC)C1 1690714240 HWBTXGZVVUWTFR-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccccc1C 1690723224 LJIPCVOTDKIQGQ-FUHWJXTLSA-N 431.562 2.336 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)CC1 1695939006 CKYPUCIOUCRMHS-UHFFFAOYSA-N 434.479 2.251 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1696096991 CEVOQRCXMXZNRC-JKSUJKDBSA-N 434.566 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1CCCO 1705485851 QMZWRFJDBGQCOD-ZWKOTPCHSA-N 427.549 2.267 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncnn1C(C)(C)C 1705491801 HZQXPDFTFGOKRR-QGZVFWFLSA-N 448.579 2.305 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1705515184 WMFHKUKZOMCVIE-QGZVFWFLSA-N 426.521 2.162 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2c(F)cccc2F)CC1 1705647520 FZHQRQGRRCBDNK-KRWDZBQOSA-N 443.498 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(C)cc2)CC1 1705652750 LXQDOQPTLZHLSX-OAQYLSRUSA-N 437.544 2.483 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705665959 JKEWLLUYLYMODN-IEBWSBKVSA-N 425.558 2.247 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1 1705863548 XBFRVNBCAUPQIC-UHFFFAOYSA-N 431.512 2.290 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1706240426 AXUVRWLZRBFHFU-IBGZPJMESA-N 440.548 2.364 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1712526434 XEAIWMXNBZYFEY-ZHRRBRCNSA-N 430.553 2.143 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CCOCC(F)F)c1 1712878245 JGEWHOZEOONJEC-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC=C 1722277886 JRNHZRKEQSNKQS-CYBMUJFWSA-N 440.367 2.105 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722363801 VPVAXGXDLVQPCG-JKSUJKDBSA-N 434.587 2.332 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722370207 APJXAAKPZLSKBR-PMACEKPBSA-N 433.622 2.122 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCCC2)CC1 1722429363 KPSJMNRNUYTVHU-JOCHJYFZSA-N 449.603 2.009 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1722447164 GCTIDFWMXRMFBW-HXUWFJFHSA-N 437.544 2.113 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722702651 OKFZTYRSXZHDFT-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C3OCCO3)c2)C1 1722708623 AEEPNMOWQYIHHQ-IBGZPJMESA-N 441.532 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1722729376 ZOWHCWAMTAVRAR-UHFFFAOYSA-N 447.609 2.338 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1722863605 LIHMFPMRONRORF-HUUCEWRRSA-N 440.483 2.364 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1724035000 HQDWARAUTVPHMB-INIZCTEOSA-N 439.545 2.137 30 10 IEEE CCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729140660 VEBLHKDKUABAJP-AQNXPRMDSA-N 443.573 2.350 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@H](CO)O2)C1 1731183502 ZMNZJHLOLJWYFH-AHIWAGSCSA-N 439.289 2.018 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC[C@@H]2CCCO2)CCO1 1731187572 SLVUJWSLALRAMJ-ZWKOTPCHSA-N 445.495 2.311 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1740537821 ZZCYYELFXAYZSQ-OALUTQOASA-N 440.592 2.446 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740568223 CRGFPVYRQIPVHS-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740618150 CXQTVCDQUXHERF-HKUYNNGSSA-N 444.557 2.007 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C2CC2)N(C)C)CC1 1740708433 PNFRJYHIEWTGJU-NRFANRHFSA-N 426.609 2.317 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1740936298 OKOHAOAYVMWKIM-UHFFFAOYSA-N 442.545 2.204 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1740938006 VFGWLWQIUITYSO-MSOLQXFVSA-N 447.561 2.025 30 10 IEEE CC(=O)NCC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1741101789 GSNLAWPGKHOWIJ-UHFFFAOYSA-N 439.545 2.499 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1741143122 QAWWSFWLAWKOJR-HZPDHXFCSA-N 429.546 2.421 30 10 IEEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)OC 1743539506 ABLPHBGFACRJGT-LPHOPBHVSA-N 447.561 2.025 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCN(CC)CC1 1748686784 WTLVMOCFWZKREZ-RBUKOAKNSA-N 428.556 2.480 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCC2(O)CCOCC2)c1 1748694211 ARRKKYXYKITFIL-UHFFFAOYSA-N 439.560 2.464 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1748716278 XHQNOEBEYRTDFC-OALUTQOASA-N 435.594 2.328 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccc(OC)c1)N(C)C 1748784505 BPULDBXRXATVGT-LJQANCHMSA-N 436.516 2.387 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(C)cc1 1748962848 SCDYVELHDWVLMI-MOPGFXCFSA-N 446.573 2.042 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749210718 NKEDUYRUKCCNRG-TZIWHRDSSA-N 432.613 2.373 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1749486814 IAQUPSLGQTZJDT-KSFYIVLOSA-N 432.569 2.493 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccc(F)cc1 1749590185 RNXSWVQGEJFOAI-QFIPXVFZSA-N 431.512 2.200 30 10 IEEE COCCCN(C)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1749702911 WABUJKIAPALTNK-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1COc2ccccc2O1 1749832587 NPHPPEJYJPSPMG-IBGZPJMESA-N 434.500 2.470 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1750062077 CRSWVXDQHHEVJD-ZDUSSCGKSA-N 436.358 2.414 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1751272229 IBIPBNSNUWHQBD-QYWGDWMGSA-N 431.468 2.091 30 10 IEEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C2CC2)O1 1752292057 JPLMTESJTJGKCZ-HCLSZDIOSA-N 428.537 2.106 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(C(N)=O)CCOCC1 1760164138 KWVAFGFUQPYRRB-QGZVFWFLSA-N 441.532 2.168 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCN1CC 1760170934 SGTCSNTYWZBQNP-KRWDZBQOSA-N 429.594 2.182 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1C 1760252313 DBBOBFDAMKUEAL-IRXDYDNUSA-N 431.562 2.028 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO1 1760288862 BMMYASYGBNVZKE-PGRDOPGGSA-N 443.573 2.367 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760322097 NZDZMXBUWSXVJR-PGRDOPGGSA-N 444.624 2.249 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760527924 MKDCKOODTBHECP-IAGOWNOFSA-N 443.529 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)C1 1760543451 PEFYBACJGYQKSQ-MJGOQNOKSA-N 432.546 2.018 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1760805120 DZJIHTJSFKLVIV-JGVYIQDASA-N 435.525 2.272 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1761149741 CUQDRHYLSJVWLP-SFHVURJKSA-N 440.548 2.458 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(F)ccc1F 1761492535 DIXMDEVBQWENNR-BFUOFWGJSA-N 438.504 2.345 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCNS(C)(=O)=O)C1 1761544758 KEMUIOGGPMFSGF-HXUWFJFHSA-N 434.541 2.077 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1761873546 DVGKDLKQACASCF-KSZLIROESA-N 429.546 2.148 30 10 IEEE CN(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1766891860 CMUPYUCAIBPJAI-SFTDATJTSA-N 435.507 2.435 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1771112827 YRTVLVLLHKSFTQ-LJQANCHMSA-N 436.520 2.372 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 1848858543 WJGCZLXBMDCODT-QGZVFWFLSA-N 444.495 2.095 30 10 IEEE CCOc1ccc([C@@H]2Cn3nnc(C(=O)Nc4c(C#N)cnn4C)c3CO2)cc1Cl 1851565241 QDMXFDGNOCARDA-INIZCTEOSA-N 427.852 2.459 30 10 IEEE CON=C(CN1CC[C@@]2(C1)C(=O)N(C)C(=O)N2C)c1sc(-c2ccccc2)nc1C 1852363048 ZQLLTMCBLBPGSV-OAQYLSRUSA-N 427.530 2.437 30 10 IEEE N#Cc1cnc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c(Br)c1 1852611362 CTMFZOICPMHUPU-UHFFFAOYSA-N 441.289 2.433 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc3ncsc3c2)C1)[C@H]1CCN(C)C1=O 1857076147 AHDGFHGLPXMZQC-QAPCUYQASA-N 426.542 2.394 30 10 IEEE CCc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870158111 VVNAWXICKFJKQI-UHFFFAOYSA-N 445.527 2.471 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1CCOCCO 1870600883 KHPFLUKTMYPUJI-UHFFFAOYSA-N 428.529 2.489 30 10 IEEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N(C)CCCC)ncnc21 1873596094 HANDPGLZNRCPKP-UHFFFAOYSA-N 430.534 2.279 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnc4ccccc4n3)CC2)CC1 1889528329 UBFIUOADFMHMSG-UHFFFAOYSA-N 435.572 2.280 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2011816459 VMNOWLZAOBETKT-LKBUQDJMSA-N 441.525 2.330 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC(NC(=O)OC(C)(C)C)C1 2255545998 YSNNQIAHWSEJRY-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255810462 CQWRHSZWRCIOKM-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255829803 VTMFTRBXEFJMGS-GJZGRUSLSA-N 432.326 2.482 30 10 IEEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256061347 KGGLCDSDALEEEM-AWEZNQCLSA-N 434.346 2.055 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2259344993 AWMXCNLMMZKUPH-YOEHRIQHSA-N 431.342 2.414 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2259354468 CORTWSYZANMAHV-HOCLYGCPSA-N 433.358 2.357 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267136639 HBADOSYDXUSACX-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CC2 2267142651 XCFWFASIHYHZCR-CQSZACIVSA-N 446.357 2.371 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C(=O)OC(C)(C)C 2267180242 YVNNVIBKVTXDIP-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 2267503291 BEFBZWQRRIVJLR-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268636322 BTRXFCKYPHKCKO-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268643054 JABFULQCAUMQQW-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268651183 ABHUTIURFCOHCC-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE COCCn1cc(C#C[C@@H](N)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cn1 2302062695 AXORMSAHCOKGTB-RTWAWAEBSA-N 428.533 2.318 30 10 IEEE CCc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327842513 FGODISIGLAWCOB-MRXNPFEDSA-N 428.562 2.415 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2334272170 ZKGNAHZTNRIXCT-BHYGNILZSA-N 443.353 2.427 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](O)c1nc(Br)nn1CCOC 2353730282 QZISASPWSKYWKN-HZPDHXFCSA-N 425.327 2.081 30 10 IEEE CC#CCN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1Br 2362961174 RLEKNHHVLHIBNL-UHFFFAOYSA-N 425.098 2.310 30 10 IEEE N#Cc1ccc(OCC(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 13705971 QBSOGYYAIZUQBG-UHFFFAOYSA-N 432.415 2.376 30 10 IEEE C[C@@H](CO)N(/N=C/c1cc(Br)ccc1O)C1=NS(=O)(=O)c2ccccc21 27527401 YHIUNASSSRIDOX-LOMXTUQMSA-N 438.303 2.321 30 10 IEEE N#Cc1cccc(Cn2cnc3c2c(=O)n(C[C@H]2CCCO2)c(=O)n3-c2ccccc2)c1 34694352 CWJKRXIXZGHECH-HXUWFJFHSA-N 427.464 2.448 30 10 IEEE C=CCNC(=O)c1cc2ccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)cc2oc1=O 40897354 ALUQSSUOXQNEME-ZDUSSCGKSA-N 446.415 2.299 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1 57927906 LKQKZSKFSZDCIE-UHFFFAOYSA-N 427.526 2.186 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 238924018 ULUMHLHDVKWITG-CYBMUJFWSA-N 428.392 2.479 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1 254349246 KEVCESBRGNNPOK-UHFFFAOYSA-N 436.537 2.447 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@]2(CCOC2)O1 443326710 LMHXHEPIAMRCJM-GOSISDBHSA-N 427.379 2.192 30 10 IEEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460588622 WOQXQGVYRNHBNY-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)cn1 469902995 XRVLUNRBMZNNEB-HNNXBMFYSA-N 440.261 2.250 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1 479622649 XXDPUQOZODMINH-QHCPKHFHSA-N 431.540 2.008 30 10 IEEE CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 480748136 GSVKKZYTGXLBDX-UHFFFAOYSA-N 449.554 2.089 30 10 IEEE COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 486491415 BPXGLOZYXLODIU-WOJBJXKFSA-N 433.512 2.246 30 10 IEEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513785979 XJBAVSQQOUXADA-LJQANCHMSA-N 441.553 2.252 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(F)cc2)c1=O 514646946 PHUIGHPWVYTAJB-UHFFFAOYSA-N 437.496 2.074 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1 524682697 MYXMSCYXTHFONI-HXUWFJFHSA-N 444.557 2.314 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)cc2)nc1 566867988 MKGBLMGKPWTCSS-UHFFFAOYSA-N 426.498 2.386 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCCO2)c1=O 612193331 HMFMUFLMYVVOBU-MRXNPFEDSA-N 426.538 2.216 30 10 IEEE C=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 734026267 JOJXTPKZZPKLPP-HNNXBMFYSA-N 446.319 2.265 30 10 IEEE COC(=O)[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 749384795 IPUOYUJMRRMVFQ-HXUWFJFHSA-N 443.525 2.316 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(=O)[nH]c21 754381036 ZLLQUTQPSATFGL-JTGQJZMRSA-N 440.504 2.290 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3ccc(OC)nc3)nnc12 754492715 OJLCMBKRINJCDQ-UHFFFAOYSA-N 437.481 2.469 30 10 IEEE C[C@H]1OCCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O 757486346 PRRCQDKACJDKAU-WAIKUNEKSA-N 448.475 2.229 30 10 IEEE COc1cc(OC)c(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(OC)c1 758382375 JCMYDOWXXZAUPY-CJNGLKHVSA-N 434.493 2.271 30 10 IEEE N#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)ccc1N1CCC(O)CC1 759254113 HEXOLMJRFAVVBH-NRFANRHFSA-N 434.496 2.468 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 766838612 MAWVPBYJMCBYON-UHFFFAOYSA-N 428.466 2.329 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)ccc1OC 793014350 WRZDKUVHURPFBO-GSHUGGBRSA-N 431.489 2.097 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)F 808318761 XGHDPGZLDRJSNG-CYBMUJFWSA-N 431.461 2.442 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccnc(C(F)(F)F)c2)cc1 808499556 CQJXMSSNFIYBKB-UHFFFAOYSA-N 426.372 2.052 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NCCc3ccc(OC)cc3)cc2C1=O 917033614 JEVDDGGYBYMITR-FQEVSTJZSA-N 431.448 2.159 30 10 IEEE COC1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 917977565 KSGPKPZPLZHJER-UHFFFAOYSA-N 429.521 2.018 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084300194 ACWNYWONOGDXBL-UHFFFAOYSA-N 427.446 2.330 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCOC1 1126549431 HLORZVACUQHVII-QFIPXVFZSA-N 440.504 2.458 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)CNc2ccc(C#N)cn2)CC1 1141271802 IEJLQODHFCXKRD-INIZCTEOSA-N 441.557 2.110 30 10 IEEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1F 1147676983 WRWUOWKIRMUBOU-LLVKDONJSA-N 438.408 2.455 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc([Si](C)(C)C)cc1 1147746805 SJLFATMZXFGZMD-INIZCTEOSA-N 429.618 2.129 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1156247971 ULUXCRORIDFVES-SFHVURJKSA-N 425.514 2.134 30 10 IEEE C=CCONC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1158208478 JKNVNSLRCRYQGA-UHFFFAOYSA-N 433.486 2.083 30 10 IEEE C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc21 1169779231 ZJBRUUYSEANLDR-CYBMUJFWSA-N 426.498 2.224 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@@H](CO)[C@H](CCO)C2)nnc1-c1ccc(Cl)cc1 1181243964 ZEHNWIMOQYFSML-CVEARBPZSA-N 436.965 2.326 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1184272355 HQIFVRKOGDDABT-UHFFFAOYSA-N 430.482 2.386 30 10 IEEE COC(=O)C1(C#N)CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 1194393972 PNQJOZZOYISWAJ-UHFFFAOYSA-N 429.214 2.478 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 1201593251 VKNYPTSZYFHUPT-QGZVFWFLSA-N 428.514 2.454 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OC 1213735510 ZSLVELKEESYKRT-NSHDSACASA-N 429.438 2.156 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1221808209 QLNPSLAJVLXHAD-QWHCGFSZSA-N 436.358 2.345 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCC2=O)cn1 1269323307 ADLIYYVFPAMVDZ-KRWDZBQOSA-N 434.500 2.385 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(CC)CC)N1CCOCC1 1286359442 WETBUTBIKSNDKB-LJQANCHMSA-N 439.564 2.132 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1286386087 ULQXWJFBSVLPCW-MRXNPFEDSA-N 434.537 2.398 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286394454 ORGATOVDPGAXTO-XLIONFOSSA-N 430.574 2.205 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1286395334 ZXIZMKAXKZJCKU-ROUUACIJSA-N 436.603 2.228 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCCCC1 1286402744 CWKFOIMBIQWEPD-UHFFFAOYSA-N 435.528 2.438 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H](C)CN1CCOCC1 1286415927 IPIZIYQVLPXPAU-LJQANCHMSA-N 425.508 2.037 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OC)CC1 1286491545 WVXSKOVSFLLJQJ-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)[C@@H](C)CCC 1286516478 HCPOKUJRFBVIDX-GAJHUEQPSA-N 437.548 2.470 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)CC1 1286647936 ALJUNPSAPQJELW-UHFFFAOYSA-N 425.942 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286823276 SQWKZJWUSIXHGU-KRWDZBQOSA-N 432.546 2.108 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1288311433 DFGHANKIQBPQRD-FGZHOGPDSA-N 432.569 2.317 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1288530555 GOIYURSNMZJWRI-GJZGRUSLSA-N 440.570 2.133 30 10 IEEE Cc1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290793451 IFNVZNKFKNZEGB-XJUMHSELSA-N 436.516 2.156 30 10 IEEE C[C@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1291079406 BBJJBPYIXDKYPZ-SBUREZEXSA-N 425.533 2.489 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)N2CCc3sccc3C2)s1 1292486752 FRWDUXQAWWPNOI-AWEZNQCLSA-N 439.628 2.379 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1293832697 ABHUYEPCFCWNKR-DEOSSOPVSA-N 446.559 2.408 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1298178249 MMXGQGRFLADDLL-KGLIPLIRSA-N 426.844 2.487 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1299235399 CXBRGWVQLAHXKR-UHFFFAOYSA-N 436.545 2.044 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1300421359 CTXRSJKLWOAPQL-UHFFFAOYSA-N 428.487 2.419 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1300448878 IFQIZTRXAZMPCE-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](CC)N2CCCC2)CC1 1300688135 BESHYLGXWXVHRD-HXUWFJFHSA-N 437.548 2.483 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1300972719 OUPXLONWLOLRPU-MSOLQXFVSA-N 432.569 2.037 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301187151 QSTJHLLHPFBTJV-ZWKOTPCHSA-N 430.553 2.295 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301490637 XCOLBNBUEKBBSZ-INIZCTEOSA-N 430.940 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccsc2)C1 1301567142 UPVFMSCLSHSHTR-UTKZUKDTSA-N 431.562 2.151 30 10 IEEE C[C@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1303880028 DICHDDBRYLOCFQ-VQTJNVASSA-N 441.492 2.337 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)n(Cc2ccco2)c1C 1308140904 MWCCPGUSGPBRBW-SFTDATJTSA-N 425.533 2.087 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C[C@H](C)O1 1315929719 DGTZQLSCEZLZDV-JXFKEZNVSA-N 438.532 2.116 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@H](CO)O1 1316085718 FCAZWSTWVGUGFU-FCHUYYIVSA-N 448.527 2.405 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1358921282 UDFUCRLAIBWSBM-KRWDZBQOSA-N 429.496 2.266 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358925213 XOMQQSZGLIXHIN-NRFANRHFSA-N 436.560 2.110 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCc1cnn(C)c1 1359016880 OLLCVOOAZIATGX-HXUWFJFHSA-N 435.507 2.374 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccccc1F 1359023240 DUURZJXWVFQYPM-UHFFFAOYSA-N 425.464 2.474 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(O)CC2)CC1 1359031526 GBDBXQBNYQMKQB-UHFFFAOYSA-N 430.350 2.296 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359051416 VYTLDHIELMGUFL-MSOLQXFVSA-N 440.529 2.467 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)nc2OC)CC1 1359172199 OBILPLUQVOQBJV-UHFFFAOYSA-N 426.521 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359294671 AREOBQHRMOQSSL-NYHFZMIOSA-N 442.520 2.252 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1ccc(Br)cc1 1450279228 XOLCMQRNVDQKTG-OAHLLOKOSA-N 425.279 2.357 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(Br)c1 1450321000 BFGWZKPSIBLSGT-HNNXBMFYSA-N 429.336 2.254 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1451189442 ADHPBTZJQJYLQZ-LBPRGKRZSA-N 429.336 2.000 30 10 IEEE CON(C)S(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1Cl 1452948353 SGHRANJKRFMGAT-KRWDZBQOSA-N 437.905 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)CSCc3ccc(C#N)cc3)CC2=O)C1 1456817980 BGJDPRWGFUPIFU-KRWDZBQOSA-N 444.557 2.128 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)NCCC)CC1 1464132035 XUDXIANEDHRQOK-INIZCTEOSA-N 430.977 2.129 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OCC 1464382109 LLIJPRLWIWNBEM-GOSISDBHSA-N 444.575 2.037 30 10 IEEE CCN1CCC(N2CCCN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CC2)CC1 1466174229 CCPKSXYDURIHLP-SFHVURJKSA-N 447.605 2.396 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1471536366 ULVBTICWSCWGHY-TZIWHRDSSA-N 432.517 2.385 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1499987804 BVALHPVLASHVKT-LSDHHAIUSA-N 429.525 2.297 30 10 IEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1503390146 AOUHJRMDNACNGG-HSZRJFAPSA-N 430.516 2.028 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@@H]1C(C)C 1504887145 RRLQZMBVKOHCRC-OXJNMPFZSA-N 444.536 2.433 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1ccnn1 1507661956 NBFUIJZWQHYIEA-UHFFFAOYSA-N 427.310 2.180 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCCO1 1507749219 QFZGMWUPFBMVGW-LJQANCHMSA-N 438.561 2.293 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507965433 RYUKGAVQXJEVRW-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1507982283 LZNBOZIONHKTBL-AWEZNQCLSA-N 442.488 2.461 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1509947485 WCFDDLUZJQXXMP-BBRMVZONSA-N 429.435 2.083 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@](C)(O)C1CC1 1512365430 HPCUYSIKQFPJPC-HJPURHCSSA-N 438.580 2.404 30 10 IEEE CCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c(C)n1 1514477519 AOGQVTAQWCIIJV-NRFANRHFSA-N 428.516 2.309 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nncn1CC 1516342994 FCIARXPLVORQRA-OAQYLSRUSA-N 440.483 2.357 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C[C@@H]1CC 1516755206 VEPOFSSALZSFHF-SFHVURJKSA-N 438.536 2.129 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(n1)CCCC2 1519329672 PTJKNRGXTMBLTP-APWZRJJASA-N 426.521 2.053 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CSC[C@H]3C(=O)N3CCCC3)CC2=O)cc1Cl 1530202284 CTGYTPBNCBGQDO-PBHICJAKSA-N 432.933 2.088 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539220798 LULDIWWKEWAGLR-LJQANCHMSA-N 428.558 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539257867 XLPJCUMQTXBVTA-UHFFFAOYSA-N 440.551 2.418 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2)CC1 1539431511 URXOFMJJCDQACN-YKSBVNFPSA-N 439.560 2.153 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1539519132 CDSIVAFMEIYSRA-XMSQKQJNSA-N 427.574 2.405 30 10 IEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC 1539599222 ATOVJSKUEMUZIL-LBPRGKRZSA-N 432.319 2.493 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539633202 XDIPETJXSCDSDD-ZKXLYKBJSA-N 426.583 2.021 30 10 IEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1)c1ccccc1 1539767023 IADXEXUXIDQZTR-VQIMIIECSA-N 431.562 2.171 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC(O)C1 1540623937 GAGFSZKRMCXUPN-UHFFFAOYSA-N 432.496 2.012 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1540868641 MGVBXBLBXURGEV-UHFFFAOYSA-N 440.596 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCCCC2)C1 1540901720 NBIOLIOPSQYCGB-LJQANCHMSA-N 444.605 2.314 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC[C@H]2C)CCOC1 1541733608 SNVMNPCEWLMJBZ-TXTKFYIRSA-N 446.596 2.312 30 10 IEEE Cc1cc(C)n(-c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)C[C@@H](C)C#N)cn2)n1 1543001781 BTHOIXSEAZFFEM-INIZCTEOSA-N 447.547 2.242 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1544587878 QNKMOXFUZWRDON-QHCPKHFHSA-N 430.549 2.210 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545467330 HOZFFZVTTYJLLR-QKCRCVCASA-N 428.537 2.323 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1548005820 UBJZTDNFSDZZMG-CVEARBPZSA-N 449.458 2.409 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1555557204 PPEMFVHOHHEZFC-SFHVURJKSA-N 448.531 2.098 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1555700792 VGVXPHFUYMIGEG-QFIPXVFZSA-N 443.573 2.317 30 10 IEEE COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 1561611496 CVKYGXXKOGCKQC-UHFFFAOYSA-N 434.905 2.213 30 10 IEEE CN(CCOCCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1584795830 KZUXGYZSCZRBPZ-SFHVURJKSA-N 444.532 2.253 30 10 IEEE C=CCCn1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)nn1 1586055972 KKAXHMBXDOPUJA-UHFFFAOYSA-N 433.310 2.147 30 10 IEEE C=CCCn1cc(C(=O)N[C@]2(C(=O)OC)CCc3cc(Br)ccc3C2)nn1 1587633155 SNDGIEZVQQADJN-LJQANCHMSA-N 433.306 2.447 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1587999422 YKNQDWZXGSEWKR-GOSISDBHSA-N 445.502 2.069 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1588266479 QSBDHSKTYWCTSP-KSZLIROESA-N 438.642 2.104 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(C)noc2C)CC1 1588923874 OTWQUTZZIHGVKV-UHFFFAOYSA-N 433.516 2.267 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1589662985 FXDKKHSCWBAKBC-IAGOWNOFSA-N 443.639 2.299 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCC2)CC1 1594036288 QZQMKCRTIMJXAI-UHFFFAOYSA-N 444.605 2.448 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1595556507 VZCHTYFEUUGUMA-BEFAXECRSA-N 431.487 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)C(C)C)C1 1595699001 AFCAPWBQKDOKCE-QGZVFWFLSA-N 427.505 2.227 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1595722976 PMJHYGUQGUVNTM-MOPGFXCFSA-N 433.553 2.432 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)C1 1595723041 QFDYDQWGZVPQJZ-UYAOXDASSA-N 446.573 2.349 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OC 1596244987 SIFOELFSNGELES-CVEARBPZSA-N 428.576 2.471 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1596789001 FANUCOHYCKGNPX-NEPJUHHUSA-N 444.483 2.144 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N2CCCCC2)CCOC1 1610339696 ZMQAEHCQHNZKQH-AVRDEDQJSA-N 432.569 2.460 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOC2=O)n1 1612492181 HLBVTVDPCXSKRV-UHFFFAOYSA-N 426.525 2.112 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/CC#N)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614466869 YTBSWTZLBNCNMW-AFBFNYQTSA-N 442.556 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN(c4ccc(C#N)cc4F)CC3)OC2=O)C1 1615384448 YKNQWQWXQGSUOA-KRWDZBQOSA-N 444.507 2.372 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615888551 DPOQYXLAVVWTEH-HSZRJFAPSA-N 436.539 2.286 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1617008223 SKRZCPDVPFUZSM-UNEBPCJRSA-N 430.553 2.256 30 10 IEEE C=CC1(CC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CN(C(=O)OC(C)(C)C)C1 1617952994 YZFVYNBHJYTEBM-UHFFFAOYSA-N 428.489 2.490 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2C#N)C1 1618705366 CWSNZAFYCYTCDI-GJZGRUSLSA-N 428.514 2.028 30 10 IEEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1622728779 GTIMDQIZXZQABB-IAGOWNOFSA-N 441.575 2.115 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1=O 1623842308 HAFKEDGLHXQNEL-UHFFFAOYSA-N 436.512 2.460 30 10 IEEE C=CC1(CC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CN(C(=O)OC(C)(C)C)C1 1624157774 DEPHSQIAYUVJMN-IBGZPJMESA-N 448.608 2.345 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)C1 1624738246 FXMCXODCPFNOFR-QGZVFWFLSA-N 431.265 2.239 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1627264889 IWNQDOKNWKYLAH-VLGSPTGOSA-N 446.389 2.495 30 10 IEEE CN1CCC2(CC1)CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO2 1627335734 FPWZLEWUWWGQEZ-DKTYTTGXSA-N 432.565 2.096 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1628082230 JYVQCIFELKEJDF-UHFFFAOYSA-N 439.406 2.465 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1629733566 SNQLYSHDISSOPT-CEXWTWQISA-N 447.557 2.187 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1631627870 GMHQUZPKRWHCOT-QXGUJMOYSA-N 449.470 2.171 30 10 IEEE O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N[C@H]1CCCN(O)C1=O 1637668024 TXNBXPRTBONALW-HNNXBMFYSA-N 427.486 2.175 30 10 IEEE CCn1c(CN(C)C[C@@H](O)c2cccc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 1643726086 VLBBWSCKOWTIPI-OAQYLSRUSA-N 441.557 2.344 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCn3c(nnc3-c3cn(C)cn3)C2)c1 1644194388 LMGSURQVBOMZFC-SFHVURJKSA-N 432.532 2.446 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)c2nccn2C)c1 1648484136 ZCFPVZLCNXBEKS-IBGZPJMESA-N 444.463 2.129 30 10 IEEE N#Cc1cnc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 1655240694 DMAWQOQCTGSMDM-UHFFFAOYSA-N 445.277 2.385 30 10 IEEE N#Cc1ccc(CNC(=O)CN[C@@H](CO)c2ccccc2I)cc1 1656439466 GAJRRIDCUODPSW-KRWDZBQOSA-N 435.265 2.102 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 1657875970 KOVLSCWGIMLIHX-QGZVFWFLSA-N 431.901 2.430 30 10 IEEE C=CCC1(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 1659445827 AVUKPUKQINTLIQ-UHFFFAOYSA-N 437.562 2.133 30 10 IEEE CCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1662835739 CJDIYIXILDEPHZ-UHFFFAOYSA-N 447.582 2.295 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)n1 1672786859 BCMHSFDRVKUDHY-HSALFYBXSA-N 428.537 2.068 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC[C@H]([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)nn1 1673802906 ZELIQDWESLFLSG-YQVWRLOYSA-N 448.568 2.458 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCCOc2ccc(C(F)(F)F)cn2)n1 1680248851 ZYCODGODEGJWCJ-UHFFFAOYSA-N 425.411 2.167 30 10 IEEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1682100397 ANBCCYFLWJDUSS-NRFANRHFSA-N 441.557 2.361 30 10 IEEE C#CCN(C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1687322544 KIJRLOWBQKAYRU-IAGOWNOFSA-N 441.594 2.244 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1689901453 KACVSCFTAKNGHN-UHFFFAOYSA-N 427.597 2.490 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1689938819 XLZHTCDVFJMJQL-GOSISDBHSA-N 426.496 2.450 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689986483 QWXALQKZWKEISJ-LJQANCHMSA-N 445.589 2.117 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689994333 WLYZKFRNVGVAAK-KRWDZBQOSA-N 432.521 2.053 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@](C)(O)C(C)C 1690004682 BPJUEHPWYKOVBH-QHCPKHFHSA-N 426.517 2.451 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(CC)nn(C)c1OC 1690080170 JBLIMWSQBNVFOL-UHFFFAOYSA-N 432.532 2.329 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cn(CCCCC)nc2C)CC1 1690119978 AEVVZDSYGSUMNZ-UHFFFAOYSA-N 433.564 2.234 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690316066 VFQGCAQRZBDOOG-OAQYLSRUSA-N 437.548 2.267 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@H]2C)CC1 1690364111 JUJCJKVLRBKVOR-QZTJIDSGSA-N 444.605 2.496 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)cc1 1690607575 QLONUMSGPBFBJM-IBGZPJMESA-N 434.500 2.205 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)C1 1690697209 QLVFHUYADBANJW-IMJJTQAJSA-N 432.550 2.223 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(=C)CC1 1690720897 UDKAJAFYKFGWDL-UHFFFAOYSA-N 430.530 2.474 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)C1 1690906440 BYAVOACAEUKCCZ-GOSISDBHSA-N 436.545 2.324 30 10 IEEE C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1693829034 JNAZFMYWYLLPPJ-ZIAGYGMSSA-N 426.502 2.396 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1697035066 VHEWMHXABVDELG-RTBURBONSA-N 425.489 2.012 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)c1 1697522479 AEZDURAGUXEHKI-YLJYHZDGSA-N 427.505 2.126 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1698152342 ZMWGSYRKDAPTIQ-IAGOWNOFSA-N 442.520 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCC(F)(F)F 1705572235 UYZQVGVWZSBYOS-UHFFFAOYSA-N 433.434 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(NC(N)=O)cc1 1705589286 OGSYBNWHUSCXSZ-UHFFFAOYSA-N 435.532 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C)nc1-c1ccccc1 1705620669 BAFDBDCIILRJQN-UHFFFAOYSA-N 447.543 2.049 30 10 IEEE C#CCSCCn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1C(C)(C)C 1705665238 NRXSEBHHADMYFS-UHFFFAOYSA-N 429.594 2.457 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1705818189 CFWNYFHTHRGGMJ-HSZRJFAPSA-N 435.532 2.343 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705830139 JVNNABKEGVNQGM-HXUWFJFHSA-N 425.533 2.337 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705899087 HUEJDRQLIMRBDW-QHCPKHFHSA-N 435.532 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)C[C@@H](C)C1 1705934513 OJFYGUGGPJHCGF-HUUCEWRRSA-N 435.550 2.089 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1(C)C 1712070008 AZDDCZQIAWTXLX-KRWDZBQOSA-N 429.546 2.255 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CCOCC1 1712576289 VSQAMMSDJKXWEB-GOSISDBHSA-N 441.532 2.254 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1712593956 WJDVBJFLDULGBI-LJQANCHMSA-N 438.532 2.104 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1712882394 BKRMEIYFHMORIB-WMLDXEAASA-N 435.937 2.152 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1722306126 OGIMIEDYTNEKMX-FSTVOOFJSA-N 433.553 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@H]1OC 1722375845 SIXYLANUZZCXSN-QUCCMNQESA-N 426.542 2.237 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722429025 MGIDICCNURVBNB-KRWDZBQOSA-N 433.553 2.268 30 10 IEEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)C1)c1ccccc1 1722594251 IBKCRFYLVFETTO-GOSISDBHSA-N 431.500 2.222 30 10 IEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1722599530 GDPBRSCINCQCOR-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722619933 MTBPMURXVQRHHC-UHFFFAOYSA-N 435.594 2.304 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC)C1 1722712722 YHICWGKUARNZRY-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1722728379 VFBZCPAYJYEAQF-KRWDZBQOSA-N 449.533 2.318 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cccn1 1723771849 HAWWFGAARXBPQH-MRXNPFEDSA-N 427.534 2.374 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)C#N)CC1 1728635054 YQXTUULIWGIOSU-SFHVURJKSA-N 440.552 2.477 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCCC1 1729195632 FKHVMDFVKFXTSB-SFHVURJKSA-N 444.605 2.420 30 10 IEEE CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1729316788 AYORLVZMVQDQLD-VQIMIIECSA-N 440.939 2.364 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCS2(=O)=O)cc1 1730187685 AEEOPUKUZIIUOL-APWZRJJASA-N 447.561 2.429 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1730481467 PRILTAUSJDPDIM-WDEREUQCSA-N 430.303 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N1CCOCC1 1740545081 NQLWTKAUSHIFRM-SJLPKXTDSA-N 425.562 2.272 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1740548375 AOCZYLCSPJFZOY-CHWSQXEVSA-N 427.452 2.100 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)c1 1740561359 CUHAFIKCGNKVRC-DEOSSOPVSA-N 434.544 2.469 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740575256 RFUCZLXKPJQNRK-KFWWJZLASA-N 434.484 2.140 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1740941461 LMBZCYIXJSYTKZ-MRXNPFEDSA-N 438.525 2.015 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1740950764 GXBBHCWHAZUHMO-PMACEKPBSA-N 425.533 2.459 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@H]1C 1746455489 QJPZGNAKAASSKS-JPYJTQIMSA-N 440.548 2.065 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1746523792 ATXHNLOBTPDSFD-QUCCMNQESA-N 437.548 2.219 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1748132888 DXHFTBMTVZFKCR-JCOAXYOVSA-N 440.573 2.080 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc2c(c1)OCO2 1748638790 WJNWVXJAPQAKMZ-HNNXBMFYSA-N 434.456 2.191 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCS(=O)(=O)C1 1748774964 AKTCNCPBGAATHO-NSHDSACASA-N 429.365 2.273 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)[C@H](C)CC 1748776313 DSAUHIVEKAEIAX-VQIMIIECSA-N 433.578 2.326 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1748858471 BJFUAMXYAGTECH-MBSDFSHPSA-N 443.548 2.228 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1748906201 QZRCIBIGPMKHFB-UHFFFAOYSA-N 427.509 2.252 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749134033 TUSIDXWJRHVSMN-UTKZUKDTSA-N 425.533 2.490 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749355806 KBEJZXRKKRULPX-APWZRJJASA-N 428.512 2.494 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1749398600 LSQKPICANZRXHI-INIZCTEOSA-N 430.582 2.462 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749461210 OPDWDGYTLVTGKT-QFIPXVFZSA-N 429.496 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1749664296 JQUAREYSOBRPPJ-QGZVFWFLSA-N 436.516 2.252 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1749683797 GSMACBXFWVFSJK-INIZCTEOSA-N 442.545 2.218 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2)C1 1749698281 SKVMIULDPUEFOX-QAPCUYQASA-N 437.541 2.051 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC=CO1 1750967477 ANTOLJDKVOHSGD-OAQYLSRUSA-N 449.559 2.303 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760180444 FQOBTOKRQZOOGB-RTWAWAEBSA-N 429.590 2.296 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1760188484 APLNGOFINGPIJX-HNNXBMFYSA-N 433.584 2.062 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760189562 PXTJGZAANMOIGO-ROUUACIJSA-N 431.562 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1760215912 SGDYOLDHFIXHOF-SFHVURJKSA-N 426.542 2.241 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CCOC)C1 1760277264 FQAWJEIGVFWZHJ-QGZVFWFLSA-N 438.561 2.150 30 10 IEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760437464 DWIHBLXZGQYTRT-HNNXBMFYSA-N 435.550 2.376 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1760535933 ZUMXWWMGPWQYGQ-TVKQPGBESA-N 441.598 2.017 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760559900 VESPPLDTQBEVKQ-HRAATJIYSA-N 437.610 2.500 30 10 IEEE CC(=O)N1CCC(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CC1 1760590476 OIDURVPTNLFHRE-UHFFFAOYSA-N 437.548 2.369 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(F)c2F)CCOC1 1765921795 HPURVRJTJADYEC-KKSFZXQISA-N 433.459 2.180 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCCC1(C)C 1766407072 GJMSCCKGGDASRM-HSZRJFAPSA-N 439.564 2.349 30 10 IEEE CCN(CCC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766862490 JMFBHDRBWIWADO-DPPKGPFUSA-N 428.537 2.325 30 10 IEEE CCSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1768400946 BTPNKXFMYROFMR-INIZCTEOSA-N 435.575 2.221 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCS(C)(=O)=O)cc1 1768727462 IBHDHCYKIGGANM-UHFFFAOYSA-N 433.534 2.040 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(C)COCCO1 1769822636 KAOOHPNKXPABNG-NFBKMPQASA-N 441.532 2.460 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C1 1770727535 GUCNDJJEWKSAQR-KBXCAEBGSA-N 437.401 2.328 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccccc2F)C1 1771530187 CUOBCYOXNKJFOE-JOCHJYFZSA-N 437.454 2.275 30 10 IEEE COc1ccc2c(c1)[C@@H](CC(=O)OCCN1CCN(c3ccc(C#N)cn3)CC1)CC2=O 1851772304 MRIWMDCWKHCSHV-GOSISDBHSA-N 434.496 2.387 30 10 IEEE CCc1ccccc1N1C[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC1=O 1852525036 UBTGTCGWKJZVQW-NRFANRHFSA-N 447.539 2.234 30 10 IEEE COc1cc(C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)nc2cc3c(cc12)OCCO3 1852714955 DCDMKXNUBBGRON-CQSZACIVSA-N 434.408 2.258 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)Nc2cccc(OCC#N)c2)CC1 1852844802 YZMFPXXUXALRRG-ZWKOTPCHSA-N 428.489 2.243 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cc(F)ccc1F 1856267387 SYACMDDSIZBFRL-CYBMUJFWSA-N 433.436 2.039 30 10 IEEE CC(C)(CC(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O)c1ccccc1 1857036040 FTOKQROGTUXIPG-GOSISDBHSA-N 431.558 2.295 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCOc2ccc(NC(=O)N3CCOCC3)cc21 1858468679 ZYEXOBIFCWJTLT-UHFFFAOYSA-N 428.470 2.010 30 10 IEEE C=C(C)Cn1nc(C)c(CCC(=O)NCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1C 1860322778 GFFGJBQRHKQWOJ-LEWJYISDSA-N 437.588 2.406 30 10 IEEE C=CCNC(=O)[C@H](CCCC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513079 MFVZQKSVYMWEQI-FQEVSTJZSA-N 434.496 2.469 30 10 IEEE C=CCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871578777 BKSLDPIQEZBMQA-UHFFFAOYSA-N 446.353 2.408 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871715772 AIARYESBSXIIJE-UHFFFAOYSA-N 433.516 2.098 30 10 IEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccn2C)o1 1874433537 PWVWDJGNYRQTSO-UFFVCSGVSA-N 430.490 2.197 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)cc1 1890792869 AEFMYLYAYLYEQC-UHFFFAOYSA-N 441.557 2.381 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](COc2cc(Br)cnc2C#N)CCS1(=O)=O 2078087024 KBXNKPBUCAJOIT-NSHDSACASA-N 432.296 2.434 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CS)C(=O)O 2229099974 SYKBGAOBLZZFPS-OLZOCXBDSA-N 447.351 2.384 30 10 IEEE CCc1nc(C(=O)NCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243390498 WRFVXFGAKGWXJJ-UHFFFAOYSA-N 425.360 2.259 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCC1 2248436245 JFDNZOAHFFODFN-UHFFFAOYSA-N 438.359 2.035 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC[C@@H]1CO 2255378071 VIQKTOAKOFUARJ-CVEARBPZSA-N 433.358 2.093 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCC1 2255607325 ZWAVVFGMZMRYEA-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830550 HXZLPOYFRHFCEC-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267179909 WQYYPPLZGWJIFQ-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267192483 RLJLQJTUQOUTMB-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2267227542 BUGZEEGSBUAHTO-MSOLQXFVSA-N 446.353 2.004 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2267528135 PVGPBNZIZSJTPP-CVEARBPZSA-N 446.357 2.036 30 10 IEEE C=CCC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267600232 CJINHIJJMQVZSI-UHFFFAOYSA-N 444.341 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](O)[C@@H](N)C#Cc2cccc(Br)c2)C1 2278729360 CBUKRIDCYPLBDC-GVDBMIGSSA-N 425.323 2.125 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2296221435 IPFRHUJZKFJBBU-OKZBNKHCSA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCCC[C@@H]21 2313267151 YOWKZORUSORYTD-WCJKSRRJSA-N 434.342 2.200 30 10 IEEE C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1(C#N)CCCCC1 11242489 ATCKIJJHAZUURD-KRWDZBQOSA-N 447.557 2.362 30 10 IEEE C#CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCSCC1 36249944 HKQOIUFUIQMQQH-HXUWFJFHSA-N 445.585 2.354 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1cccnc1 170194807 HKMSCNHSGGRCOM-NRFANRHFSA-N 436.512 2.440 30 10 IEEE CC(=O)N[C@H](CS)C(=O)Nc1ccc(I)cc1Br 305936470 DCZFJDDTUDOCLW-SNVBAGLBSA-N 443.104 2.427 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)NC2(c3noc(CC4CCCC4)n3)CCCCCC2)CCO1 409486064 OKNPKRDVHWBNAZ-QGZVFWFLSA-N 437.566 2.411 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 410139996 ORFTUJQRPAOWCT-UHFFFAOYSA-N 435.575 2.491 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 460372633 RQQUZQKVGLRFSP-JKSUJKDBSA-N 435.532 2.341 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460707214 CUPVGHYFCDMMBU-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE COc1cccc(-c2nc(=NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)s[nH]2)c1 476287677 GQVFBUJBNCGWCR-UHFFFAOYSA-N 428.495 2.061 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCN(Cc3nccn3C)CC2)nnc1-c1ccco1 481794555 KUEDHBCIBNTDRJ-UHFFFAOYSA-N 441.561 2.284 30 10 IEEE N#CC1(NC(=O)CCNS(=O)(=O)c2ccccc2)CCN(Cc2ccccc2)CC1 482654137 CHWDOFVWAUZSPN-UHFFFAOYSA-N 426.542 2.030 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1C(=O)N1CCOCC1 489151857 WIKYVGXBJHGIQF-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 494238522 RLAVDGYUQVTUCW-XQBPLPMBSA-N 449.958 2.033 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C)CC1 508165691 XPRCGTDFAZBMCS-UHFFFAOYSA-N 437.573 2.338 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508802266 PPSKLPKWAAWHAB-QGZVFWFLSA-N 436.476 2.437 30 10 IEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508929944 JXCFNSDGLQTRIG-QFIPXVFZSA-N 442.583 2.425 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)CC1 522308386 KURWUMIRSMUHMC-HXUWFJFHSA-N 427.593 2.048 30 10 IEEE CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542962758 WDGIOSVGKRKQKF-DOMZBBRYSA-N 436.925 2.237 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c(OC)c1OC 546093921 KZYZNWOZWXZZDR-UHFFFAOYSA-N 437.562 2.244 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](n2ncc3ccccc32)C1 549657422 CQRDDVWZKCRWSN-RDJZCZTQSA-N 429.550 2.266 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C(C)C 564006645 OZYPVJKYDVARDB-INIZCTEOSA-N 425.580 2.274 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 576865446 UBYBLEKIKMRPCP-SJLPKXTDSA-N 435.550 2.294 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 609172396 AOMXGYYXZOGPSO-UHFFFAOYSA-N 437.525 2.035 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c(F)c1 609254546 ROEKPAUMRMLADW-KRWDZBQOSA-N 434.468 2.489 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3I)CC2)cn1 609642780 NLNIWQFTJYLMHA-UHFFFAOYSA-N 446.248 2.156 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 611004511 ZGKWJWUNNMSBII-UHFFFAOYSA-N 425.464 2.172 30 10 IEEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1Cl 619569763 KODKPEKDMVYLEO-KRWDZBQOSA-N 425.876 2.069 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1-c1ccc(I)c(Br)c1 705616352 JEVONIQOZXNOQD-UHFFFAOYSA-N 432.015 2.485 30 10 IEEE CCOc1ccccc1[C@H](CC(=O)NS(=O)(=O)c1cc(C#N)ccc1C)NC(C)=O 734292976 APERWJXZXCRMOM-SFHVURJKSA-N 429.498 2.338 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F)C(C)C 744429852 RANYOKAFJAVZCK-QZTJIDSGSA-N 438.569 2.496 30 10 IEEE COc1ccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C#N 746872952 RRJDARHNOZEYGO-UHFFFAOYSA-N 443.525 2.487 30 10 IEEE CSCc1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccc1F 754525665 KOARAAPLNFTZNZ-UHFFFAOYSA-N 432.477 2.362 30 10 IEEE Cc1nn(C(C)(C)C)c(C)c1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 755662423 OZUORDGVCGUXNM-UHFFFAOYSA-N 428.521 2.366 30 10 IEEE C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758057799 AWOUKKMUOIAMRX-LBPRGKRZSA-N 429.885 2.223 30 10 IEEE C#CCOc1ccccc1-c1noc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 761994801 DAIWIRZKDSBATI-UHFFFAOYSA-N 428.426 2.178 30 10 IEEE Cc1ccc(N(C(=O)COC(=O)c2ccc(C#N)nc2)[C@H]2C=CS(=O)(=O)C2)cc1C 770021833 ISTKQCNJFULLQL-IBGZPJMESA-N 425.466 2.071 30 10 IEEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 775986280 AMHQWKNSQPIZJO-CHXDIULOSA-N 449.577 2.397 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)OCCn2ncc(C#N)c2N)C[C@H]2CCCC[C@@H]21 779206950 VPLZTYORSVDHPY-MNEFBYGVSA-N 437.500 2.362 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@@H]2CCCN2c2nccs2)c1 783109230 AYKATPBXESRPAH-ZDUSSCGKSA-N 441.332 2.251 30 10 IEEE Cc1nnc(CCN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)s1 809941465 ZPEVFCCFUDONNT-MRXNPFEDSA-N 446.602 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2C[C@@H]2CCCO2)CC1 812310472 YFMPBAXJCVAJKI-FPOVZHCZSA-N 435.528 2.099 30 10 IEEE CC(C)CN(C(=O)CON=Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 852273193 TUFIKDFSVKZHAY-OAHLLOKOSA-N 431.352 2.471 30 10 IEEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2cccc(OC)c2O)n1 1084064598 CMLNENLKFDVLES-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1)NCCO 1084277118 HDIXGPLLKJGCIU-UHFFFAOYSA-N 426.502 2.030 30 10 IEEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1c(Cl)cccc1Cl 1136630078 GGFHNJXZLBFLJT-GJZGRUSLSA-N 437.258 2.487 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 1139617286 NQEMCRYUUAOKEC-CQSZACIVSA-N 434.459 2.491 30 10 IEEE CC(C)(C)C#CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1151803976 PAPVIELRGUJRFR-QGZVFWFLSA-N 449.573 2.286 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1153262757 OXVNOCOOSPNOFT-LJQANCHMSA-N 446.345 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1156254919 RVIXQGLFZSDQLO-HTAPYJJXSA-N 429.521 2.382 30 10 IEEE C#Cc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)cc1 1158504348 YQHACUQPAKOIOS-UHFFFAOYSA-N 429.221 2.178 30 10 IEEE CS(=O)(=O)Cc1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1191951704 BMEBLGBOBHSQLY-UHFFFAOYSA-N 447.582 2.046 30 10 IEEE COc1cccc(NC(=O)CN(C)C(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)c1 1196860151 IIANJBSHROKJJT-UHFFFAOYSA-N 436.512 2.259 30 10 IEEE Cn1ncc(C2CCC2)c1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1279757204 VZDJXXHBRWJXJZ-UHFFFAOYSA-N 441.557 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1286299453 VXJBRHKPLLGJJQ-MNOVXSKESA-N 430.427 2.243 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1286392140 GDLUDHLESZZQFR-SJLPKXTDSA-N 448.589 2.388 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)CC1 1286660654 OTSSYOWEYVPZLR-OAHLLOKOSA-N 434.342 2.291 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC 1286790395 DSJJDJLIALUIDA-INIZCTEOSA-N 436.557 2.125 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1288311435 DFGHANKIQBPQRD-VXKWHMMOSA-N 432.569 2.317 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1C 1289348065 CDTCIFGKNYJDKC-OAQYLSRUSA-N 427.526 2.396 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3ccc4nc(O)n(CC(F)(F)F)c4c3)CC2)c1C#N 1296472674 UZLNBPCPXTULQP-UHFFFAOYSA-N 447.421 2.180 30 10 IEEE CCOCc1nnc(N(C)Cc2cc(C)cs2)n1CCN/C(O)=C1\N=CC=CC1=O 1297052965 HRGPRDLOBHRXRQ-VHEBQXMUSA-N 430.534 2.347 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300422118 FYFUTKIGCUATAQ-QGZVFWFLSA-N 449.552 2.175 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1300553836 UWJWMUZLWWCMQK-SFHVURJKSA-N 442.564 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCOCC1 1300590698 DZRGBOFSMSRYNT-NRFANRHFSA-N 430.556 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC)c2)CC1 1300719538 FZUQMDHGNZWDDU-UHFFFAOYSA-N 447.543 2.091 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1301004268 WKDOVIULLKVYSK-PKOBYXMFSA-N 434.562 2.339 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1301109105 YTSOABLCLUXAJR-UHFFFAOYSA-N 440.548 2.344 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CC1 1301126621 BMFBYHDSBDIYIX-UHFFFAOYSA-N 433.553 2.446 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nccs1 1301773662 HFHOAXCNVGOZHS-QGZVFWFLSA-N 437.529 2.259 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OC 1302428383 IBEAWPOVOLNBBK-GOEBONIOSA-N 444.937 2.035 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CC1 1303000418 FGRXCLBJERWRTH-INIZCTEOSA-N 435.500 2.441 30 10 IEEE CC(C)(C)NS(=O)(=O)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304253012 UKWJMOIBFKKMMH-YUMQZZPRSA-N 446.360 2.334 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1316052159 OHEZGCWWNMORMU-UHFFFAOYSA-N 436.520 2.130 30 10 IEEE N#CCc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 1319470262 BNSFPKHUNVFRBL-UHFFFAOYSA-N 433.555 2.157 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1323855725 ZAUHOTBCEWJYDC-CQSZACIVSA-N 446.367 2.022 30 10 IEEE COc1ccc(NC(=O)c2c(C)cc(C#N)cc2C)cc1S(=O)(=O)N1CCOCC1 1349534775 ZTDUYWITRSRXMP-UHFFFAOYSA-N 429.498 2.457 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)c(C(=O)OCC)c1C 1352793244 LRWDQUSFQZUOIK-KRWDZBQOSA-N 433.479 2.041 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccnc(C)n2)CC1 1358918536 YJZQEAKEUNVORF-FPOVZHCZSA-N 439.564 2.231 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1358928261 YFAGCNOQDUAHIA-AWEZNQCLSA-N 425.518 2.379 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1358959517 KOYNYMSWTKJOPA-OAHLLOKOSA-N 434.905 2.053 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358962764 WMRDILQEFCBAPP-VQTJNVASSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cn(CCCC)nc1C 1358976807 REIXZISECYPKRC-UHFFFAOYSA-N 433.516 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2ccccc2)CC1 1359043609 ASUNWFUOUMYILZ-XMMPIXPASA-N 432.528 2.147 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(CC)C(=O)C1 1359091779 RTKDQMZKXYHATQ-HBFSDRIKSA-N 435.569 2.042 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1359106537 HLRJJEVGBXWXEF-ZFMNYDKASA-N 447.580 2.042 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359201381 LOCKGXJTJJMHLX-KRWDZBQOSA-N 435.536 2.489 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1C 1359234016 ZRDMGLZIWMSVBZ-SJLPKXTDSA-N 433.578 2.490 30 10 IEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1359281030 MHHQRDYKHTXOCH-INIZCTEOSA-N 429.546 2.500 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](COc2ccccc2)C1 1359299392 DFZXOMNVTPLQKD-OALUTQOASA-N 425.533 2.380 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359310045 KXRMDVCHSIHPIW-QRQLOZEOSA-N 446.573 2.000 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1360062675 LLEKDWAHLXYCST-SGRLSNSRSA-N 430.553 2.254 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1360287329 JAOCPXPJSZWSMS-LJQANCHMSA-N 437.548 2.082 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(CC(N)=O)Cc2ccccc2)C1 1443793494 ZUKYXBHZFLWCSB-UHFFFAOYSA-N 427.302 2.271 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)s1 1453876086 GYKAAVLKOCHXDY-LJQANCHMSA-N 443.591 2.271 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1454013749 UDLGGGYFDLEMMS-UHFFFAOYSA-N 432.498 2.314 30 10 IEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc(C)c1C#N 1456656682 OPPGOZCXKAINEZ-MSOLQXFVSA-N 433.530 2.034 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N(C)C 1502915497 FGHLRAJNWCSQLA-OAQYLSRUSA-N 430.484 2.176 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N3CCOCC3)CC2)cc1OC 1504155170 CTPNLWRSNXXIDD-KRWDZBQOSA-N 440.548 2.423 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507564089 MQRCYVALOWQHIR-WOJBJXKFSA-N 442.608 2.155 30 10 IEEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507576862 MZUQTRSZVIURMX-UHFFFAOYSA-N 436.560 2.094 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507581145 MUKCBHLBGPRMFJ-UHFFFAOYSA-N 447.587 2.497 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(C)CN(C)C2=O)CC1 1507719709 ARHSDJIOEUOJCW-OAQYLSRUSA-N 447.370 2.485 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1507809041 SEHYSNAVSAIULK-MGPUTAFESA-N 431.924 2.428 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507944615 TXDRPIBJRUNSOV-LBPRGKRZSA-N 447.487 2.090 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1508062628 LZEKZHSZIQOSNH-UHFFFAOYSA-N 438.557 2.351 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1508124002 NVXOUIUWZCODQE-AEFFLSMTSA-N 428.512 2.264 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1508389294 IMAZBZMIVNEEEL-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C1CC1 1508410430 FIFJHJKJIBZIQJ-GFCCVEGCSA-N 434.342 2.168 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1518750749 RRQIOAOYVXAGKX-IAGOWNOFSA-N 427.440 2.071 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC=CCO2)c1 1519513214 WOFIAKOOJCSSBQ-UZLBHIALSA-N 431.493 2.136 30 10 IEEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCCC1 1529318602 YCSZUGWWRZGKKJ-UHFFFAOYSA-N 447.557 2.377 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 1534560668 YRVXWXLAUHTRHL-GFCCVEGCSA-N 433.262 2.411 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC(C)(C)C1 1539396557 PHOHRYYFKPWWCC-UHFFFAOYSA-N 439.564 2.133 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(CC)cc2)CC1 1539432208 ZOKCTDFMPYIXGY-VWLOTQADSA-N 437.588 2.491 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCCC(C)C)CC1 1539445797 GRNWOJDIFHEZNW-UHFFFAOYSA-N 442.564 2.214 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540019799 MZEUXJWDHKNQMG-UHFFFAOYSA-N 448.568 2.021 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)C(=O)OC(C)(C)C)C1 1540883208 VZAXTFZSTMFWQM-INIZCTEOSA-N 436.557 2.065 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540919409 AHLYDIXJCOUJHX-OAHLLOKOSA-N 448.618 2.151 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CCO1 1546099260 AKHUQHJPVOCOML-IMRHEYAYSA-N 441.532 2.274 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)ccc1F 1556915920 ZMDIOGQODABDMC-FQEVSTJZSA-N 426.510 2.484 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)F 1568509093 YEHNAXAFCGFWPX-CVEARBPZSA-N 436.459 2.324 30 10 IEEE CC(C)(C)OC(=O)[C@]1(NC(=O)COc2cccc(Br)c2C#N)CCOC1 1585619683 WKOOLBGSOARGCE-SFHVURJKSA-N 425.279 2.317 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1588065433 YMZGRKFSRUMNQH-IBGZPJMESA-N 427.574 2.471 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1595500833 GGTDPTQUAWWMOW-FQEVSTJZSA-N 435.532 2.121 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O)CCCC2 1614553186 UPWHSZBSRNBFHA-CQSZACIVSA-N 443.435 2.265 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615888552 DPOQYXLAVVWTEH-QHCPKHFHSA-N 436.539 2.286 30 10 IEEE CCS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1617399370 GVTKTNONGYQFBX-UHFFFAOYSA-N 430.578 2.458 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)CC1 1623499158 SAMIKOFKJOKJJT-UHFFFAOYSA-N 437.931 2.182 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)C2 1623726000 PRCFPDOTCLFLRE-UHFFFAOYSA-N 443.500 2.111 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 1627997012 ARDUIFARTONJAV-PKOBYXMFSA-N 434.606 2.473 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2)C1 1635200699 LEFZMEOIPMNXOX-HOTGVXAUSA-N 445.541 2.402 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNc1nc(C)cs1 1638680872 AODHGEIPHOTPHT-OAHLLOKOSA-N 435.575 2.277 30 10 IEEE C#CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)cc1 1640394874 JFDXOWNKTLSKTF-LJQANCHMSA-N 428.510 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](Nc3ncc(C#N)cc3Br)CC2=O)C1 1640499155 NVDJMFHOGUFDFF-LBPRGKRZSA-N 436.310 2.348 30 10 IEEE Cc1onc(CC(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1641194395 DCQYQTDJEARYCT-AWEZNQCLSA-N 430.530 2.143 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1642353177 NDWKEHBOZAFUIE-KRWDZBQOSA-N 438.550 2.188 30 10 IEEE COc1ccc(-c2noc(Cn3cc(C#N)c(I)n3)n2)cc1OC 1644029001 BLDILJAIPPFMAS-UHFFFAOYSA-N 437.197 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC([C@H]4COC(=O)N4)CC3)C2)C1 1648093858 KTCKYNUUKGBSHJ-QOQLHOOGSA-N 432.521 2.120 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)c1 1651307108 RMSHLNQIXRWBGM-UHFFFAOYSA-N 431.420 2.461 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 1666160101 KSAVIFHZOWXEMJ-UHFFFAOYSA-N 437.562 2.001 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)C2 1672141607 IPTNEHNZAPAMKJ-QGZVFWFLSA-N 432.933 2.347 30 10 IEEE C#CC[C@H](CCOC)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1678067143 CFMXUFDGMXFVCZ-MRXNPFEDSA-N 427.592 2.193 30 10 IEEE C=CCOc1ccccc1CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1684552743 PMROXVTYNQXSOI-KRWDZBQOSA-N 444.532 2.271 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689986736 WCNAYIFTCUUVFE-VGOFRKELSA-N 446.573 2.132 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2COc3ccccc3O2)n1 1690109592 XGQUZWNZYMUPBF-LJQANCHMSA-N 436.516 2.163 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(OC)CCOC2)CC1 1690111433 BQHOCUFBNISECK-JPYJTQIMSA-N 443.523 2.118 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC 1690258769 STDQXUOQUGAERF-UHFFFAOYSA-N 440.591 2.186 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1690715770 USWJILHGWFJPSJ-UHFFFAOYSA-N 441.561 2.281 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1694129261 PCGXBOGSJDHFRJ-WMZOPIPTSA-N 436.564 2.300 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1Cc1ccc(C#N)o1 1694370199 ZRNMAZWWZBNLQH-IPMKNSEASA-N 426.521 2.428 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1695537311 GNVSFUKSCCTADB-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1 1696728049 ARDRLKKTPGCMMO-UHFFFAOYSA-N 428.447 2.225 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1696785224 FFHPFTBVLUXFCN-UHFFFAOYSA-N 446.559 2.396 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCCC2)CCOCC1 1698137964 NSLBTKRKZUJYNA-LJQANCHMSA-N 446.596 2.387 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOC(F)(F)F)CCO1 1698494390 VPYKKWWAKZHDPM-CZUORRHYSA-N 439.394 2.446 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705525791 VHDOVGMXNMEADG-AWEZNQCLSA-N 440.367 2.463 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1705526091 DXPJJSQQQWZOQQ-UHFFFAOYSA-N 441.532 2.443 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705531145 ZIPWJYMJFAACOX-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCC2)c1 1705596760 MXVIXCATNVJNQI-OAQYLSRUSA-N 444.539 2.479 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCOCC1 1705630227 LAHCJCOKUTYKAE-UHFFFAOYSA-N 428.533 2.101 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nnc(C)s2)CC1 1705642267 NKDBGYMZTPAHLT-UHFFFAOYSA-N 437.573 2.437 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1706854150 XXGNSOIHDQVCSB-MAUKXSAKSA-N 446.577 2.211 30 10 IEEE Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1707913336 YPRUHABLTQGSRB-UHFFFAOYSA-N 425.537 2.013 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1708262665 HFGRZNSETSUOJO-CVEARBPZSA-N 436.520 2.053 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCC(F)(F)F 1708758742 VQIKVGBLBGJQIQ-CYBMUJFWSA-N 434.488 2.221 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)CC1 1710337499 DHLZXZPTFTXOQV-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1722296783 VDRFNIGESQOAQO-MNOVXSKESA-N 433.481 2.162 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC=CO2)c1 1722305734 LIZBKAGWWZPXRP-IBGZPJMESA-N 436.516 2.165 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1722305776 LVOXMBAELVZIKK-YESZJQIVSA-N 432.569 2.421 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC)C1 1722320966 QANQRTRRYVISNS-INIZCTEOSA-N 428.562 2.036 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722362661 VQZMNTGULBBJPF-HXUWFJFHSA-N 437.569 2.461 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](OC)C(C)(C)C 1722392399 FOSRQAJZPASPFR-HXUWFJFHSA-N 432.532 2.445 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1722401915 DNQUZAKPBHXDNM-CQSZACIVSA-N 432.525 2.211 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1722411781 PRHQOGAGPDVHKE-GHTZIAJQSA-N 441.601 2.087 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)CC1 1722443896 OYHQVCDIWNFXCN-UHFFFAOYSA-N 431.338 2.412 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC#C)CC1 1722453900 GAPUIHFLWCMMEO-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722462933 UKAMJZJYSFBXSZ-LJQANCHMSA-N 448.614 2.464 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cccn2)CC1 1722559625 CQGCJKGSPKDPPV-KRWDZBQOSA-N 441.561 2.279 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1722673145 JXCXXVIKXCWEOK-IBGZPJMESA-N 431.562 2.181 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722700540 LTAACMJDTYKKIB-UHFFFAOYSA-N 437.592 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722726398 DWCOQOPHIPQHNM-UHFFFAOYSA-N 448.574 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1 1722727188 GPJAQKACOUWBKA-UXHICEINSA-N 446.573 2.178 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1740588873 IFBDEAIDKMVMLC-HNNXBMFYSA-N 429.912 2.134 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740626074 VPXRZOPBTRQKES-RTWAWAEBSA-N 442.585 2.117 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)Br 1740665985 YHHRXJMAASBGFL-UHFFFAOYSA-N 437.252 2.368 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CCOCC1 1740687511 HAKPRXFQCOAJHS-JOCHJYFZSA-N 439.560 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1740701628 NLKNEJOTHVEJCV-NRFANRHFSA-N 430.512 2.128 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740792813 AIEMKDSYBHDXJL-UHFFFAOYSA-N 441.580 2.440 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1740937822 PSCBDOBZOKRGIG-KRWDZBQOSA-N 426.521 2.103 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)C)CC1 1740964248 MEOLDAYVGNUMFX-UHFFFAOYSA-N 426.565 2.388 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCO[C@H](c2ccccc2)C1 1740992308 OTPIJKOLXFASNI-PMACEKPBSA-N 446.573 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1740994668 UVJHWRZKPJABQL-BBTUJRGHSA-N 438.594 2.300 30 10 IEEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1741621045 LHBYPFLXPXYRMZ-OYRHEFFESA-N 440.548 2.409 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCO[C@H](C)C1 1742947033 AAEHUXPZKGQTTI-GJYPPUQNSA-N 446.577 2.211 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1ccnc1C 1746888568 ATYWBPYQFZEKBM-SFHVURJKSA-N 437.504 2.190 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2COCCO2)c1 1748693084 XLJSWQISPXMOAV-HXUWFJFHSA-N 446.511 2.120 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1748730782 SQSUCBXIYCTQFW-SFHVURJKSA-N 428.581 2.306 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1748766630 TXQBMFWNVRZJFZ-GOSISDBHSA-N 442.951 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748868936 NSZMJQCMOVOJGB-JPYJTQIMSA-N 445.564 2.306 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCN2CC)CC1 1748979800 NLPXHKWDFDLKRF-FQEVSTJZSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(F)c(Cl)c2)CC1 1748990494 XTEJMIKXNNNQGE-INIZCTEOSA-N 433.915 2.409 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749037041 AMUMGCHXKHINJR-HUUCEWRRSA-N 445.511 2.391 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1(C)C 1749220011 ADQPWKPUCYYHBO-AUSIDOKSSA-N 441.532 2.395 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1749683765 FWDNRKMVTDTVKF-HSZRJFAPSA-N 435.532 2.254 30 10 IEEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750107795 MGQIIGWSGIGJAP-FQEVSTJZSA-N 440.548 2.033 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCOC[C@H]3C)CC2)c1C#N 1751827293 HMNFHWNSJZPMCV-SJLPKXTDSA-N 440.596 2.488 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760135103 JADMMOMUTWQYEX-UHFFFAOYSA-N 431.500 2.207 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760158436 KSLKEQCFXRBIPZ-HXUWFJFHSA-N 441.507 2.237 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760172838 ANHUOCDYBGHKEN-UHFFFAOYSA-N 427.505 2.317 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1760525264 ZPVHLNJRNVOTBH-UHFFFAOYSA-N 449.893 2.473 30 10 IEEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1(C)C 1763266892 IKWPBGTZWMHGEM-LSTHTHJFSA-N 441.532 2.272 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnn(C)c1C 1768972382 CLLJDYBTPAFQIQ-NRFANRHFSA-N 425.468 2.398 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1769434180 BUBMNAIHKVUMAD-WZONZLPQSA-N 438.532 2.070 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1770804833 RJKSBOGWLQGXQG-PMPSAXMXSA-N 438.504 2.063 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)COCCO1 1771112405 OBWURNMZXGGHBO-NRFANRHFSA-N 435.475 2.319 30 10 IEEE COc1ccc(CN2C[C@@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1850896855 RCFODXNNUPJENF-NRFANRHFSA-N 447.539 2.343 30 10 IEEE N#C[C@@H]1CN(C(=O)CCSc2nc(C(F)(F)F)cc(=O)n2-c2ccccc2)CCO1 1851201254 WIZCIMBHQKKMTJ-CQSZACIVSA-N 438.431 2.484 30 10 IEEE COc1ccc(CCC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1OC 1851262327 OIIGIPVKGSFTCO-UHFFFAOYSA-N 434.500 2.165 30 10 IEEE CC(C)Cn1cc([C@H]2C[C@@H]2C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cn1 1851987455 QQAPEXZTMKQGRR-UXHICEINSA-N 432.532 2.171 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)CO2)nc1 1852617043 CYXMZBITPJLSCS-QGZVFWFLSA-N 431.452 2.367 30 10 IEEE COc1cc(N(C2CC2)C2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)ncn1 1852655578 RGSKQFCCUVUUFV-UHFFFAOYSA-N 435.484 2.288 30 10 IEEE CON=C(CN1CCC(N2C(=O)CNC2=O)CC1)c1sc(-c2ccccc2)nc1C 1853292430 VMRWOGJKMNJVLN-UHFFFAOYSA-N 427.530 2.485 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2c(F)cccc2Cl)C(=O)C12CCCC2 1854410294 KYCBAZQGFFGRKS-UHFFFAOYSA-N 441.912 2.249 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cc(F)cc(F)c1 1856222677 VBJSROGZVMKQQN-CYBMUJFWSA-N 433.436 2.039 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866024982 MMKXRIROFSYSEA-UHFFFAOYSA-N 448.370 2.241 30 10 IEEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870692160 FKVLGBAIMOJHTA-UHFFFAOYSA-N 425.529 2.294 30 10 IEEE CC(=O)Nc1cccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2[C@H]2COC(C)(C)O2)c1 2033814371 RWXMRFUNGPVHNH-HIFRSBDPSA-N 444.469 2.058 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(N)c2)[C@@H](C#N)C1 2106651497 OZZCAHMTBLKYGZ-NSHDSACASA-N 445.339 2.165 30 10 IEEE C#CCN(CCO)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229109246 HQGHTSIRQCREIP-MRXNPFEDSA-N 425.323 2.339 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)C1 2247565382 SFWGUPKKUNIEBK-XXUFKVEXSA-N 437.537 2.092 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247952992 QQBWSAATYSPADU-UHFFFAOYSA-N 440.371 2.131 30 10 IEEE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255540808 SEMIMTGSRNFZCM-SFHVURJKSA-N 427.354 2.441 30 10 IEEE C[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)N(C)Cc1ccccc1 2255745943 QVKBNKYZVJFSLR-KRWDZBQOSA-N 445.394 2.180 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255828225 REILHIRSIXRQEJ-CQSZACIVSA-N 436.362 2.095 30 10 IEEE C[C@H](CCCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255829245 LLWPRGBZFUDLIO-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255875513 ZAHJIYBGYZRREX-UHFFFAOYSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2256896122 OKXZJUYJROXRTN-UHFFFAOYSA-N 437.321 2.473 30 10 IEEE Cn1cc(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267134371 OMTWQTLANLQVFT-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267136694 HQXYSHXMEKPPPS-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H](NC(=O)OC(C)(C)C)C1 2267183901 QVACPTSQWGASRZ-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267266421 CNXHXDLCJNVBPG-ROUUACIJSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)COC1(C)C 2267276667 FVFRJABZVONMGQ-HNNXBMFYSA-N 449.357 2.416 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267292981 KTHUDPFOKPCCLW-GXTWGEPZSA-N 443.275 2.233 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2267529391 LEZINBVTLCXAQQ-KOSHJBKYSA-N 436.365 2.207 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267727558 WZILVTJAFNRLMO-SKDZVZGDSA-N 444.337 2.429 30 10 IEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1 2269063000 ZAKRKOLEQGZHEG-UHFFFAOYSA-N 441.337 2.408 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccnc2)C1=C(O)c1ccc(F)cc1 2296930311 ONFWRAKJUXXFLK-FQEVSTJZSA-N 425.460 2.365 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc[nH]3)CC2=O)cc1 2325882304 MDEUMJIHUHITOF-CQSZACIVSA-N 426.502 2.102 30 10 IEEE Cc1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155774 PSJYDYLLCULFGL-ZPMCFJSWSA-N 445.519 2.356 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1 2355479889 CAHVCQSMZLDLGL-SESVDKBCSA-N 425.510 2.331 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2c(Br)cccc2C#N)C1 2379813760 OAWSMXPBLGWLOP-INIZCTEOSA-N 435.322 2.492 30 10 IEEE C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1(C#N)CCCCC1 11242493 ATCKIJJHAZUURD-QGZVFWFLSA-N 447.557 2.362 30 10 IEEE C[C@@H](NC(=O)CSc1nnc(N/N=C/c2ccccc2[N+](=O)[O-])n1N)c1ccccc1 59884767 VRPGEBLWAGAOEN-SRRANQMSSA-N 440.489 2.316 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)c(OC)c1 102741993 MSLOUULXIIYXAJ-GOBJLOIFSA-N 425.485 2.472 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)/C(N)=N/O)cc1Br 155815790 MJFZNZUUMGRBFO-ZETCQYMHSA-N 429.134 2.181 30 10 IEEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc3c(c2)OCO3)cc1 254740968 PXFVBHGQEHITAO-QAPCUYQASA-N 446.506 2.339 30 10 IEEE CN[C@]1(C#N)CC[C@H](n2cnc(I)c2I)C1 304471589 ZIQZGEIGBNUXQF-OIBJUYFYSA-N 442.042 2.299 30 10 IEEE CN(CCC#N)S(=O)(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 462626181 XITKWQIMPVUNCN-SFHVURJKSA-N 443.497 2.138 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 479885578 KGNGNDXJWOJNAL-QGZVFWFLSA-N 426.542 2.137 30 10 IEEE CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 490423018 QNSFLZJPQMKPMY-VXKWHMMOSA-N 434.606 2.121 30 10 IEEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508474934 WSDJRDKROCHWTF-UHFFFAOYSA-N 448.574 2.232 30 10 IEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(Cc2nc(C)no2)CC1 508834196 SOZRDJNCXVULAZ-UHFFFAOYSA-N 439.520 2.455 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508954987 ZGCXIRRYSQBEIC-FXAWDEMLSA-N 439.516 2.052 30 10 IEEE CC(C)[C@H](NC(=O)c1ccccc1)c1nnn(CCS(=O)(=O)c2cccc(C#N)c2)n1 513785887 VNYXZLGAKZANMK-IBGZPJMESA-N 438.513 2.146 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N(C)CCOCc1ccc(C#N)cc1)C2=O 517053887 VTUNHGCOAXNLQI-IRXDYDNUSA-N 426.517 2.280 30 10 IEEE C=CCNS(=O)(=O)c1ccc(-c2nc(-c3ccc(OCC(=O)N(C)C)cc3)no2)cc1 546389536 NRWBRHSUPQOGMZ-UHFFFAOYSA-N 442.497 2.335 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(c2cccnn2)CC1 549280207 QPWWCSNTMMBXLP-UHFFFAOYSA-N 439.545 2.041 30 10 IEEE N#Cc1ncn(CCNC(=O)N2CCC[C@H]2c2ccc(I)cc2)n1 554296080 FYGSPXQIXCNSAK-AWEZNQCLSA-N 436.257 2.301 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 581025024 ZEXDEUDENWXLFV-LSDHHAIUSA-N 437.570 2.355 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)CC2)c1 603788314 QXOBLAGOGGWRMO-HXUWFJFHSA-N 435.503 2.222 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 609038042 CLAWBTZNPZULDD-UHFFFAOYSA-N 444.560 2.109 30 10 IEEE N#CCN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C1CCCC1 609976658 OJRVTEUWXIOYLB-UHFFFAOYSA-N 442.335 2.097 30 10 IEEE Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 611644797 QIIMSBOMQJYLOX-GOSISDBHSA-N 426.498 2.238 30 10 IEEE C#CCN(C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 730214031 UOXFDNPLPOXTTK-OAQYLSRUSA-N 427.570 2.438 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1Cl 761075413 WTAYFVFHYJQQNQ-GFCCVEGCSA-N 426.820 2.137 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)c(C)o1 767958571 LWYLCBCJGKMOCP-UHFFFAOYSA-N 432.505 2.008 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 773266840 ZJVNODTZJDISSG-IBGZPJMESA-N 430.549 2.089 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 774261410 IJIABRLSQXKIBT-BMGDILEWSA-N 427.929 2.056 30 10 IEEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1CCCOCC1 786310887 CQVYSDICLXJRQB-LPHOPBHVSA-N 433.530 2.325 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Oc3cccnc3C#N)cc2)C1 795282064 AISCMALLJCXMQA-HUUCEWRRSA-N 435.527 2.388 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC 796098253 YGIIITZVQBPVLI-QGZVFWFLSA-N 436.555 2.370 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(S(C)(=O)=O)cc1 797583052 OVLARLFJADHFHL-JOCHJYFZSA-N 444.509 2.130 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 800776669 GZIBKDNBBGCLAK-MSOLQXFVSA-N 432.569 2.099 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 1083977368 JULWIRZPBUYKIH-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)n1 1128569833 FROLDDYJUPMQLK-UHFFFAOYSA-N 429.420 2.099 30 10 IEEE Cn1cc([C@@]2(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCCO2)cn1 1134792479 MEABOBIWKIVJCG-VFNWGFHPSA-N 427.892 2.120 30 10 IEEE C=CCN(C(=O)c1cc(Br)c(Br)[nH]1)[C@H]1CCS(=O)(=O)C1 1136358201 JDFMCMZIVKNYAY-QMMMGPOBSA-N 426.130 2.355 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1138181590 XEGZUTYSAMVMKR-OAQYLSRUSA-N 435.505 2.281 30 10 IEEE Cc1nc([C@H](NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c2cnn(C)c2)no1 1141503388 RBBJNMODBIYTQV-GOSISDBHSA-N 437.309 2.239 30 10 IEEE Cc1ccc(C(=O)NC2(C(=O)OCc3ccccc3)CCC2)cc1S(=O)(=O)NCC#N 1141957795 MJOPPUWQQIYIRS-UHFFFAOYSA-N 441.509 2.193 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 1142858439 NPURZEFNQWAEGZ-UHFFFAOYSA-N 425.489 2.413 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC[C@H]2COc2ccc(Br)cc2)c(=O)nc1O 1157634309 WRZSWWWURNVXJH-HNNXBMFYSA-N 447.289 2.043 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccncc2)C2(CO)CCC2)ccc1F 1167924759 GCOYTBVRMWHZAA-LJQANCHMSA-N 433.505 2.319 30 10 IEEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1167951683 BEYNHJAJOKGKSC-XLIONFOSSA-N 432.586 2.389 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[C@@H](C(F)(F)F)O1 1197484198 VVCYSZRMTXKJAI-INMHGKMJSA-N 430.496 2.499 30 10 IEEE COC(=O)c1nc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Cl 1234024375 SMDJCLICLFRSNG-KRWDZBQOSA-N 441.875 2.388 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)CCO2 1248652239 YSARCKRCSLUZMP-DQBMGFJSSA-N 440.544 2.276 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cs1)C(N)=O 1265116210 VKFYFYKJPOXQPQ-ROUUACIJSA-N 443.598 2.278 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286396978 ZNLYVOIXGQJFHB-QZTJIDSGSA-N 434.537 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCc2ccccc2C1 1286398922 TYOJXRBZCDGBDJ-UHFFFAOYSA-N 444.583 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)cc1 1286410006 VHEXUMVXMSHXFD-UHFFFAOYSA-N 448.552 2.368 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1 1286438267 SUOSORKDWXYUQD-MRXNPFEDSA-N 433.603 2.408 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(ccnc2O)C1 1286495486 XHJHIQIOJKIJQY-UHFFFAOYSA-N 428.562 2.226 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1286525156 TVSUNZSBCSUIOQ-OAQYLSRUSA-N 428.558 2.447 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286526322 QEQFRYFFANFZJI-HTAPYJJXSA-N 445.564 2.458 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1286610103 XFUPEUQTJFVBSL-UHFFFAOYSA-N 426.565 2.158 30 10 IEEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)CC)CC1 1286662639 SHBMRWMMBUUSEJ-UHFFFAOYSA-N 428.562 2.354 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCc2cc(Br)ccc2C1 1286792970 NSDJCDPCATULHY-UHFFFAOYSA-N 434.338 2.442 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)N2CCOCC2)CCOC1 1286962016 ZBHXNLCBRQKYFL-PGRDOPGGSA-N 434.585 2.025 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3nc4ccc(C#N)cc4[nH]3)n(C)c2)C1 1287394206 AZKAHSNVESCWGS-ZDUSSCGKSA-N 426.502 2.446 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1288516668 CPILWIKXTGQJFA-DNVCBOLYSA-N 434.548 2.271 30 10 IEEE CC(C)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)C1=O 1296754165 QYBHRKLZLISOSJ-CQSZACIVSA-N 433.350 2.472 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1299853869 ZBVFHEBHRNJXIE-DYESRHJHSA-N 434.558 2.413 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300487695 LIRQGTBTSOETMA-CQSZACIVSA-N 431.518 2.216 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1300497100 XMDQHQVBIYEAIR-LEWJYISDSA-N 442.585 2.410 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1300672266 XHFNCVYKCURIOW-QZTJIDSGSA-N 433.553 2.268 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cccs2)CC1 1300706093 IFXBLTCPQIXZOO-UHFFFAOYSA-N 426.590 2.258 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301030174 GQQAMHNREZYNGR-JXFKEZNVSA-N 443.983 2.472 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1301112403 VDHOSWFZNDRKQL-JOCHJYFZSA-N 443.573 2.229 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)nn(C)c1C 1301286506 HVJQQIJPIBKXRQ-UHFFFAOYSA-N 428.566 2.259 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1301362579 GEBNZWDVHMBGJF-AEFFLSMTSA-N 430.578 2.204 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1301410397 FAMMXQGWHUHMHH-ZOKDDAQRSA-N 431.562 2.359 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCSC[C@@H]1C 1301577436 JFZZRHZHYQIUMT-AWEZNQCLSA-N 436.559 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1301586150 DQOIBNNXLOOGMP-HXUWFJFHSA-N 445.589 2.118 30 10 IEEE Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304867059 PVMDOUSUVFHREW-YWMAMYRUSA-N 448.936 2.406 30 10 IEEE COc1ccc([C@H]2CCCCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1308127491 BCGQNDPBPPCADH-CZTZKLFOSA-N 431.558 2.009 30 10 IEEE CC(C)c1nnc2n1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)[C@H]2C 1352119634 DFFNJUWARFVDEF-WMLDXEAASA-N 435.488 2.082 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1358917929 GKNATMSASAXVMR-NFBKMPQASA-N 431.581 2.035 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358957022 ONVQRUAWFWBUEW-HZPDHXFCSA-N 449.543 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccncc1Cl 1358973661 ABAPVAXRLWBBSV-UHFFFAOYSA-N 429.875 2.090 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)CC 1359015716 BXVXOXXGNNLWKQ-UHFFFAOYSA-N 429.521 2.497 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C)N2CCCCC2)CC1 1359047577 MBOSTLKSCZEMSJ-PZJWPPBQSA-N 442.608 2.360 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCS(C)(=O)=O 1359078430 BVMKUOXJGRTVEY-UHFFFAOYSA-N 444.311 2.243 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1359107791 VJYATVMPSHOFCE-NHAYFPRASA-N 425.599 2.232 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1359159127 NWLBDZMRFVPTRM-MGPUTAFESA-N 437.541 2.092 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1359228258 YFRKSKXQUQWTPR-APWZRJJASA-N 427.505 2.085 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359303544 SLYOCOGFOWOAHA-FQEVSTJZSA-N 433.560 2.168 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1359311338 YBDNAPKEQKJRQR-ZJOUEHCJSA-N 439.516 2.344 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1C#N 1360160880 UUQKFRBHOKJXMW-UHFFFAOYSA-N 425.514 2.459 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1360798359 HVUNMULEKIBYGA-HTAPYJJXSA-N 437.479 2.085 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CSC[C@@H]3C(=O)N3CCCC3)C2)C1 1440744367 DAWXLRBKZFBXAO-QOQLHOOGSA-N 448.589 2.297 30 10 IEEE N#Cc1c[nH]nc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1452028703 BQUXGTLGNNDEJD-LLVKDONJSA-N 438.307 2.083 30 10 IEEE COc1ccccc1[C@@H]1C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1470817622 GNXPLWXXCQZNJJ-VQTJNVASSA-N 440.525 2.139 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1472441330 AEKVPAHRYPQPSU-KRWDZBQOSA-N 447.557 2.118 30 10 IEEE CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1497353871 GTVWVRQNUFWIFZ-MSOLQXFVSA-N 441.536 2.296 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(OC)CCOC1 1503095155 IEBGINLHQLOJOK-HSZRJFAPSA-N 440.548 2.208 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(CC)(CC)OC 1503102213 DGQIKLXPXSUITI-UHFFFAOYSA-N 444.584 2.260 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1503371216 HVWHCJAPLXDRRI-UHFFFAOYSA-N 431.500 2.348 30 10 IEEE CS[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1505174218 ZIDCTVNULAOUHS-DOTOQJQBSA-N 444.609 2.164 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1505264351 UQEVQSAPNDTGJR-INIZCTEOSA-N 435.575 2.105 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1C 1507528000 KOIVQJBHVLYJTH-ULQDDVLXSA-N 430.578 2.369 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CCC(N)=O)CC1 1507594192 ZOFCDAVWRLPKEZ-UHFFFAOYSA-N 428.562 2.165 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1507595309 ZLCPTFGLHAZKHH-UHFFFAOYSA-N 436.560 2.479 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1507605393 QQSAANYTQYMGAX-INIZCTEOSA-N 430.553 2.275 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507638358 PUIACJAYMGPJEO-ZWKOTPCHSA-N 438.594 2.209 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)OC)CC1 1507718041 LRGZQDNKHUDGOG-UHFFFAOYSA-N 435.370 2.226 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(C)C(C)C)CC1 1507718250 MYNRELYRTJIPNE-UHFFFAOYSA-N 426.565 2.058 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1507728882 WBLGEDZLOSFSPD-YADHBBJMSA-N 437.588 2.378 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 1507759908 PUAGDYGUILRGKT-MRXNPFEDSA-N 433.607 2.373 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1507765962 WSKSTDRMGUTUIB-DBXWQHBBSA-N 436.626 2.145 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1507882046 CZPZDVXVSAJSFM-HSZRJFAPSA-N 438.532 2.136 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 1508104718 NIWADMZTIWFLFL-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)COCCO1 1510346334 ZUZOCNDYHWHTSE-QFBILLFUSA-N 437.422 2.390 30 10 IEEE CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1515434939 PSZULUMQYBTEDJ-OAHLLOKOSA-N 431.543 2.457 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)C1 1519373631 KMHGZVIFNDTJSM-OAQYLSRUSA-N 435.532 2.425 30 10 IEEE COC(=O)c1sc2nc(C)ccc2c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1526403539 GQWVSJJMNWXZSV-UHFFFAOYSA-N 444.494 2.069 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOc4c(F)cc(F)cc43)C2=O)cc1 1531036597 OTBPIPPBWSYRKB-MRXNPFEDSA-N 426.379 2.467 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nncn3CC2)c1 1534269155 XNJVMVIWFYQKNH-MEZKORTJSA-N 444.561 2.462 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCN(CC)CC1 1539031903 RUASMOKYSPUHKO-LJQANCHMSA-N 428.556 2.482 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC=CCO2)c1 1539040070 LALLROZAUDBIMH-FQEVSTJZSA-N 431.500 2.080 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1539078949 KBTNLRXMFGUTHV-UHFFFAOYSA-N 428.562 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1CCCO 1539268307 MNTOKHBTRLEFSZ-GOSISDBHSA-N 427.499 2.067 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1539343511 LHBCNHYQQHSCPM-AWEZNQCLSA-N 425.942 2.080 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1539343906 RVALXOCLLJSLLH-MRXNPFEDSA-N 433.578 2.334 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccccc2)CC1 1539427683 HHJPIGMRZWCXDS-IBGZPJMESA-N 445.527 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC2(C)C)CC1 1539489386 MRMVFSZSZUPUED-FHWLQOOXSA-N 429.565 2.014 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(N)=O)c1 1540187236 MIRCFBKDDNBFSL-LJQANCHMSA-N 434.500 2.205 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@H]1OC 1540193623 AAXBRRWBVOMHSR-WIYYLYMNSA-N 444.532 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1540863822 GQAOVNJJGMUYIA-UHFFFAOYSA-N 447.543 2.209 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540881850 UQAFRNQWIXFEMZ-IEBWSBKVSA-N 432.546 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1540888946 BGXULBQCDZRORC-PLTNMMHCSA-N 440.573 2.387 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)C1 1540892003 CTWJQSHAFJFWOJ-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(C)(=O)=O)C1 1540894738 DTGRDWONXAWSKL-GOSISDBHSA-N 434.562 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)C1[C@H]2CCC[C@H]12 1540907058 KPMMYJUIVULMPT-GJZGRUSLSA-N 449.602 2.105 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1545877567 GAUUBTIIMWQFNX-QFIPXVFZSA-N 447.559 2.287 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1 1555524676 HHYGQWXQRXNZMJ-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1555632502 KHFSRSXEBQIJAR-LJQANCHMSA-N 447.628 2.158 30 10 IEEE CSCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1555919158 GOJOIAFGMQPLRW-UHFFFAOYSA-N 435.561 2.472 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCCOC(F)F)c1 1555986799 AYINLVGWVBNYIL-UHFFFAOYSA-N 445.474 2.440 30 10 IEEE Cc1cc2c(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)n[nH]c2cc1C#N 1557351382 ALGSCKNZPNBWHV-UHFFFAOYSA-N 426.454 2.317 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 1558401104 PQULJYFCSJYTRZ-IFXJQAMLSA-N 426.498 2.205 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1561154718 JYZQIYPQQNWGLD-SECBINFHSA-N 429.303 2.265 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)s1 1567011111 FTYHLGCESUHKNX-ZDUSSCGKSA-N 431.580 2.174 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(I)ccc1N1CCCCC1 1569675616 CIUFWAPOJQVHFZ-AWEZNQCLSA-N 443.285 2.392 30 10 IEEE C#C[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(Br)cc1 1583565993 PHSKFMPECOUKGR-INIZCTEOSA-N 442.225 2.444 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)COc3ccc(Br)cn3)C2=O)cc1 1584787179 GVXURSJTXKGPNJ-INIZCTEOSA-N 429.274 2.406 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1587295938 IFBGQHKRSJTKSK-UHFFFAOYSA-N 447.557 2.099 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(CC)CC 1587599423 NCKWHGLKRPUEMK-KRWDZBQOSA-N 435.536 2.027 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)c(OC)c1Cl 1588074127 JQPGGCZCANCGMS-UHFFFAOYSA-N 443.935 2.402 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCSCC1 1588094265 XCVCCIGTJLFOMM-UHFFFAOYSA-N 433.379 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2c(Cl)cccc2OC)CC1 1588969126 VRPSNZRODATPGH-UHFFFAOYSA-N 445.951 2.491 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1593775728 DFEVRPZTYVXXGR-VAMGGRTRSA-N 433.597 2.310 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1594867762 PQNGJBSQHKLNME-NRFANRHFSA-N 434.562 2.393 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1595191352 QBEAQOSVCKFLSC-SFHVURJKSA-N 433.520 2.014 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCOC1 1595610728 GFKDNFJWTGUJMJ-YCRPNKLZSA-N 433.892 2.041 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1597975966 FQSPPAZQQWVIGC-DVECYGJZSA-N 449.559 2.036 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1597984845 BBTVNFSUEOHJCR-IRXDYDNUSA-N 426.521 2.426 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1608225810 DCIVKLCOORMAMJ-UHFFFAOYSA-N 437.548 2.231 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1617907703 HXLDEJJYOSGHTA-QGZVFWFLSA-N 433.520 2.132 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@]2(OC)CCS(=O)(=O)C2)cc1OC 1621076234 QABOIUMOIHTLES-QGZVFWFLSA-N 434.352 2.316 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OCC 1622145250 KGEWXODBWLMOSY-LBPRGKRZSA-N 434.308 2.412 30 10 IEEE C=CCCSCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1622330325 MBQWHBJITPULBS-UHFFFAOYSA-N 428.395 2.440 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1626487720 VLSAAVKJWSJMKF-SFHVURJKSA-N 426.897 2.333 30 10 IEEE CC[C@@](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)(C(=O)OC)c1ccccc1 1629775049 COODCMZMLUHZMJ-NRFANRHFSA-N 432.473 2.374 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1 1633771550 ODRPNNKTXOFASK-FUHWJXTLSA-N 430.505 2.061 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)OC)cc1 1634283430 WAGOOONUIHNEAK-LJQANCHMSA-N 442.493 2.411 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1636303027 ZOVGBJQYNKVIQK-CABCVRRESA-N 437.990 2.152 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1639265032 APQQAFJTXDSKIK-HXUWFJFHSA-N 426.542 2.191 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CS[C@@H](Cc3ccccc3F)C(=O)N1)C2 1639989044 FYTGJHXHSYFZKQ-HOTGVXAUSA-N 430.530 2.069 30 10 IEEE C=C[C@H](CO)NCC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 1643928105 MRMXBFMEVZXKQM-QGZVFWFLSA-N 429.542 2.271 30 10 IEEE CCn1c(CN(C)[C@@H]2CCC[C@H]2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1647993260 JXMZCRSGKZKLAA-QFBILLFUSA-N 431.562 2.201 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc(-c3cccnc3Cl)ns2)cc1 1648869729 VQUYLMPSNKCVQT-UHFFFAOYSA-N 434.890 2.042 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)CC1 1655919741 XPUBASFFLFXLFB-HXUWFJFHSA-N 432.609 2.171 30 10 IEEE C#CCCN1CCN(S(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1666721416 IXBMNQWWFKXBDQ-NRFANRHFSA-N 433.574 2.148 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 1670497828 FGZXASBKJJBTCV-MRXNPFEDSA-N 430.505 2.018 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1674892178 CQVVGZUJYODLTM-IKGGRYGDSA-N 429.414 2.410 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1681301842 SDULTMXWTOZOFO-WOJBJXKFSA-N 426.517 2.329 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1685267412 YFJUDZYWWFDVCQ-MOPGFXCFSA-N 434.581 2.284 30 10 IEEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1686181311 GIDZJTOKXMKGJO-ZOJXTTQQSA-N 439.438 2.496 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nnc2c(=O)n(C)ccn12 1687431470 BBUZALXBUHLOMC-UHFFFAOYSA-N 449.284 2.227 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689917678 CDBILGYKUSAXGP-UHFFFAOYSA-N 426.546 2.090 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689986482 QWXALQKZWKEISJ-IBGZPJMESA-N 445.589 2.117 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689986500 REUWYPDUCIODSL-OKZBNKHCSA-N 446.548 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCCCC2)CC1 1690146576 RBJGWGABNILVPZ-OAQYLSRUSA-N 442.608 2.362 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690180349 DPTIFXVHZZMSFZ-UHFFFAOYSA-N 439.651 2.237 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690184346 HDDHWXGEAOOTGP-KRWDZBQOSA-N 429.521 2.174 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690664361 QEGBDZPANQEGAZ-UHFFFAOYSA-N 426.521 2.130 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cncn2)CC1 1690667120 QMZAKZNJAFMXIT-UHFFFAOYSA-N 440.939 2.409 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1690744907 UKJZJZNTZIROIB-QGZVFWFLSA-N 441.667 2.410 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)CCc3cnccn3)n2Cc2ccc(C#N)o2)CCOC1 1692576899 FNMHFQMCTWOIMQ-QFIPXVFZSA-N 437.504 2.301 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)c1 1693229474 GSLZBAWDDGEBSG-PZJWPPBQSA-N 441.532 2.338 30 10 IEEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1698307392 FRLFYTMKGXNZGE-VQTJNVASSA-N 443.573 2.157 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCc2ccco2)CCO1 1698494791 ZJJHUPOOVFIPGQ-HNNXBMFYSA-N 426.864 2.237 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705530976 UHSNYFUKXDGONZ-UHFFFAOYSA-N 441.967 2.151 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1-c1cnn(C)c1 1705540961 URKGDYOADASPBG-UHFFFAOYSA-N 426.484 2.444 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1705570954 VTVKOATWJVXDKV-LJQANCHMSA-N 440.573 2.334 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705573801 OEXSSPSJYQIVRU-RTBURBONSA-N 445.564 2.474 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCN(C)C1 1705621425 COZNXLYJZHCILD-GBXCKJPGSA-N 441.576 2.188 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1705676579 HKAUZDUDVISLGR-KSFYIVLOSA-N 440.573 2.176 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(CC)c1 1705695847 ZMIHVUJHENYGBE-RTBURBONSA-N 427.553 2.348 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)C1 1705703642 VQMUHUSMVYYXKU-BTYIYWSLSA-N 431.487 2.407 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705891168 GJAYZCBVDKQLBY-OAHLLOKOSA-N 437.516 2.337 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1scnc1C 1705936317 OAZVLPNDWGFMNA-OAHLLOKOSA-N 425.580 2.174 30 10 IEEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1706690722 IEHZQVASAGECLF-UHFFFAOYSA-N 436.520 2.414 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)N(C)C 1706809283 NSILRMBPTYEJEB-PKOBYXMFSA-N 434.548 2.406 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1c(F)cc(F)c(F)c1F 1706850918 XBEZBHGKUMIXOF-ZJUUUORDSA-N 448.446 2.231 30 10 IEEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1707790641 IFQHTZDCAVHZQS-UHFFFAOYSA-N 439.545 2.035 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC(=O)N(C)C 1708531222 ADGLQBJFCOSAID-IRXDYDNUSA-N 439.568 2.037 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)C1 1711338391 CWSUQUMYVJORMD-HXUWFJFHSA-N 432.532 2.374 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C2CC2)C1 1712702064 FKXDISZYYWQHLS-IBGZPJMESA-N 429.546 2.114 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCOC(F)F)CC2)c1 1712881702 FMNLLHSFMXCTBE-MRXNPFEDSA-N 433.463 2.005 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)[C@H](CC)C1 1722336678 OLJDXYAMXLZTIO-GOSISDBHSA-N 442.564 2.356 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722359247 KAWGENJOQZJXEF-WBVHZDCISA-N 428.514 2.353 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nc(C(F)(F)F)cs1 1722401198 OXYXJMDDCBIXKK-UHFFFAOYSA-N 436.463 2.387 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(F)(F)C1(OC)CCOCC1 1722429433 QZZDLFHQNPPBKU-QGZVFWFLSA-N 442.507 2.437 30 10 IEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722454154 JAXMQTSCZPMKCS-KRWDZBQOSA-N 441.582 2.483 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722548905 VVRKLNKHJVKKPB-KXBFYZLASA-N 431.972 2.025 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722559452 XJIZBSBGISTIGR-MRXNPFEDSA-N 430.534 2.049 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C2COC2)nn1 1722863603 LIHMFPMRONRORF-GJZGRUSLSA-N 440.483 2.364 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1Cc1ccc(C#N)o1 1723933852 QBNDPENFOMVSIT-NVXWUHKLSA-N 440.529 2.395 30 10 IEEE CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1727989993 FUUUAPREJLWFNR-WPCFFEEUSA-N 444.536 2.051 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1(C)C 1728927340 IRFMTSXRYUOEOX-ZTFGCOKTSA-N 447.561 2.333 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1740537540 FGJWCUREOGIUAZ-UZUQRXQVSA-N 443.523 2.346 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)c1 1740558842 VOKRFMYWYKLXRO-IBGZPJMESA-N 433.560 2.483 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740618152 CXQTVCDQUXHERF-MJGOQNOKSA-N 444.557 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1740656282 JWAPBPHYPJXAEF-DEOSSOPVSA-N 446.599 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1OC 1740658372 HWKBGQDQMMMEBG-IFMALSPDSA-N 433.512 2.243 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2([S@@](C)=O)CCC2)CC1 1740696950 LRKNYCLTZIHYQF-SSEXGKCCSA-N 425.602 2.234 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 1740700097 FYHFBUQJOAEDFK-UHFFFAOYSA-N 425.533 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1740706389 UJCIURATGYOLIY-YOSAUDMPSA-N 443.592 2.486 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740794509 CBOMVUWAUSAGOE-HNNXBMFYSA-N 435.466 2.397 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1740899095 GAEJIGHTOPZQRT-IBGZPJMESA-N 445.589 2.355 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1740932325 LSQDIYSGVXAJDL-IBGZPJMESA-N 445.545 2.005 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740997898 FHKZDYLLFGBQPK-HNNXBMFYSA-N 430.534 2.238 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCOC[C@@H]1CCOC1 1742834717 PDRZRERACSGPTQ-IBGZPJMESA-N 428.512 2.367 30 10 IEEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1743345931 IJELLTWJEBETCR-PBHICJAKSA-N 447.465 2.168 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1748821915 WDEWWYGSRZYIEL-SFHVURJKSA-N 440.525 2.434 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748823894 DVTKDSNOJUZGDJ-DGBZWLMUSA-N 426.542 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCS(=O)(=O)c1ccccc1 1748890391 OXGSDMXPXMHBLI-HXUWFJFHSA-N 440.569 2.499 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1749155621 HWJUZMUYLVQLRS-SFHVURJKSA-N 428.512 2.130 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1749212935 BKQLVWMTBJGVLE-MRXNPFEDSA-N 438.525 2.385 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccco1 1749482226 DLEPJEQCUSBUOX-HXUWFJFHSA-N 430.534 2.361 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1749488139 IYVWCPDDYNPEPI-AWEZNQCLSA-N 445.998 2.191 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1749665976 DIMUSSYFZASJQB-UHFFFAOYSA-N 449.559 2.423 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1750009830 YCQFJHFQHVPPHS-ZACQAIPSSA-N 433.484 2.337 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCn2cc([C@H]3CCOC3)cn2)c1 1760125873 NJNXPHHOIFVPKI-IBGZPJMESA-N 433.516 2.043 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C(C)C)N1CCOCC1 1760178739 YVYRFAKNKRUSFS-OAQYLSRUSA-N 427.549 2.292 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1760206360 XPVRNKNCMJGVOA-XZOQPEGZSA-N 433.556 2.146 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCSC2)CC1 1760264198 FMVWDSLOLRGDTJ-HSZRJFAPSA-N 441.601 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 1760267506 ONMVWOOAJGNNJS-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760285584 KQBQHBIFYUEGCJ-IAGOWNOFSA-N 432.477 2.477 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760451470 KFLZORGGLRACHB-CTNGQTDRSA-N 432.613 2.058 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1760530023 OMXVFKNWSXNPKS-MJGOQNOKSA-N 425.533 2.452 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CN(CC(C)C)CCO1 1770172869 MVOYRPNNBDWTSR-HAGHYFMRSA-N 434.585 2.097 30 10 IEEE COC[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1770743925 UKFCMYKBOHCDRK-GOSISDBHSA-N 432.532 2.140 30 10 IEEE CSc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)ccn1 1771420186 COYZFEWYXVSIHH-QGZVFWFLSA-N 446.602 2.475 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccnc2)CCO1 1771535855 AYWOVKZZSOKAGZ-OAHLLOKOSA-N 428.294 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](COC)C1 1772659978 NPHKZTMIFTZMGC-OAHLLOKOSA-N 439.969 2.457 30 10 IEEE Cc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)c(C#N)c(C)c1Br 1851414618 DULFWWGBEKZKQO-UHFFFAOYSA-N 430.306 2.494 30 10 IEEE COc1c(F)c(F)cc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1F 1854051166 XITCVCORMMPHKX-LLVKDONJSA-N 442.371 2.146 30 10 IEEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)C(C)(C)C2=O)cc1 1854462215 MNVRSXNYOMJYNQ-UHFFFAOYSA-N 425.510 2.248 30 10 IEEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1 1857019789 CSPJJGFTFOQMIG-ZWKOTPCHSA-N 434.558 2.275 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)c3cc(Cl)ccc3n2)CC1 1858572019 PAOJICYCMOMSGT-UHFFFAOYSA-N 429.889 2.371 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862754122 DORVDZXJIJERCD-DIFFPNOSSA-N 427.369 2.462 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(-c1ccccc1)nn2C 1864321729 WPNKKAAALMEIFB-LJQANCHMSA-N 446.507 2.455 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1CCOCC1)n2CC(C)C 1873577447 RRKQDORNTDVFHO-UHFFFAOYSA-N 426.565 2.328 30 10 IEEE CC(=O)NCc1nnc(S)n1/N=C/c1cc(Br)c(O)c(Br)c1 1874559131 YEKIHTRYZXVVFK-AYSLTRBKSA-N 449.128 2.316 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3COc4ccccc43)CC2)CC1 1889383690 LALXSRUZVPJJBM-QHCPKHFHSA-N 425.573 2.200 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010227362 NDJCHCBEROYRLE-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)O 2010520536 ZQDIYMNVWLMHPL-MBSDFSHPSA-N 430.549 2.277 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(=NO)c2ccccc21 2145998810 XWGIQUSYXOKBBP-UHFFFAOYSA-N 427.482 2.481 30 10 IEEE C=CCN(CC=C)C(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195286210 IUNTUYQCXOLZSZ-JJCDCTGGSA-N 436.530 2.094 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3CCO[C@@]3(C#N)C2)CCN(Cc2ccccc2)C1 2221951408 USPMHSMGCAEPKL-IEXUWNMDSA-N 440.544 2.297 30 10 IEEE Cc1cnc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224139310 JYWUJTFHPOCMEZ-CVEARBPZSA-N 433.358 2.154 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)C#Cc1ccccc1Br)C1CS(=O)(=O)C1 2227490789 LDSVDMZHHAFBSB-MRXNPFEDSA-N 442.331 2.308 30 10 IEEE C=CCC1(NC(=O)[C@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2246477716 VLQAXTPYBOPPKD-JKSUJKDBSA-N 439.553 2.429 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396448 ZGDMIYRLCOEPMF-WFASDCNBSA-N 437.371 2.314 30 10 IEEE C=C(Br)CS(=O)(=O)NCCO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2251556764 XMOWZLDTAXWHLW-ZDUSSCGKSA-N 427.361 2.231 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255535546 XBQXNSYABZYCFE-KBPBESRZSA-N 449.382 2.285 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629947 CSQIGYJQYNEAMW-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE CN(CCCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2255655049 HGJFSWPSZGIPFH-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2255697813 DOYGPFWPPGAQFH-GDBMZVCRSA-N 433.358 2.357 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255698809 LJECOXAOHSKQNA-WMLDXEAASA-N 431.342 2.366 30 10 IEEE CCC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255797859 MKQOMHHNFNVVCK-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255879251 MKMVGGHIHSUFQP-QGZVFWFLSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2256677992 JNIPGDYIHKHJMJ-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256894304 HLTDQFIMYVGPIG-CZUORRHYSA-N 437.321 2.472 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258234506 CTPAMQVFKAXBSW-NSHDSACASA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267145229 DZJLHNMHKDAHHI-QDMKHBRRSA-N 446.357 2.084 30 10 IEEE CC1(C)OB(C2(C(=O)N3CCO[C@@]4(CCCN(C(=O)C(F)(F)F)C4)C3)CC2)OC1(C)C 2267183295 MGJNWJVALIGRBN-GOSISDBHSA-N 446.275 2.395 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267187965 GEVHKAFHEYNJET-CABCVRRESA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268677754 WCRWLSHJZMWRLD-SFHVURJKSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@](O)([C@@H](N)C#Cc2cccc(Br)c2)C1 2278735882 UEVPBFFXPXHJQQ-LPHOPBHVSA-N 425.323 2.126 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NCCOCC(F)F)cc2Cl)OC1(C)C 2282836813 PKDQJAYIACFBNG-UHFFFAOYSA-N 431.719 2.261 30 10 IEEE C=CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCC(=O)O)C1=O 2296846710 XOEKQMYQRMRSCF-UHFFFAOYSA-N 430.511 2.277 30 10 IEEE C=CCN1C(=O)C(=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2314415001 UFQJWSKLNMPZCP-UHFFFAOYSA-N 428.539 2.227 30 10 IEEE NC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc(Br)ccc1O 2330939094 DLTXVNVWIFASHK-GFCCVEGCSA-N 426.296 2.057 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(Br)cc1C#N 2335427869 MCSLEGGZRXQNFA-ZDUSSCGKSA-N 446.323 2.197 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCCCC3=O)cc2)cc1 96352595 RQJQUOPHXCNKCY-UHFFFAOYSA-N 425.510 2.492 30 10 IEEE C=C[C@@](C)(CO)N1CCO[C@@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1 105039129 QDAZPQLCVQVLPE-ICSRJNTNSA-N 430.467 2.432 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 107561813 SHNPOGMTDIKILG-IRXDYDNUSA-N 444.557 2.090 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C(C)C)cc1 461754982 JXONAZFHHVOFIZ-IBGZPJMESA-N 438.513 2.389 30 10 IEEE N#CCCCOc1cccnc1NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 466617131 HUDMWMSXXLAMNO-UHFFFAOYSA-N 441.513 2.373 30 10 IEEE COc1ccc(OC)c(CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C2CC2)c1 480112703 KEUYMANUGCMBCV-HNNXBMFYSA-N 443.525 2.433 30 10 IEEE COc1ccccc1N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481215056 RQADBKMNGHMKAN-MRXNPFEDSA-N 442.541 2.019 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(-c2ccc(F)cc2)c1=O 487396165 LNUZXTHWKWVEGX-UHFFFAOYSA-N 436.512 2.424 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4cc(C#N)ccc4C)CC3)C2=O)n(C)n1 506417655 FTQADMMDTFGNLG-HXUWFJFHSA-N 435.532 2.254 30 10 IEEE C[C@](C#N)(NC(=O)CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(F)cc1)C1CC1 507421960 MUGVAHMKTAZUSO-DHIUTWEWSA-N 425.508 2.245 30 10 IEEE CC1(C#N)CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 507831400 WPORJUOVIGGEIJ-UHFFFAOYSA-N 435.546 2.449 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C\c1ccccc1 508884285 GJYSZVXSOLFJRL-FCUDFIOSSA-N 431.562 2.337 30 10 IEEE COc1cccc(N2C[C@H](NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)CC2=O)c1 510327300 ZHWLIQYFRCCIIM-MRXNPFEDSA-N 437.475 2.343 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)CC1 513389591 JUQITUYTPUKPTJ-JOCHJYFZSA-N 429.609 2.117 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)cc2C1=O 520659254 BEHQDSOCZPEKKK-UHFFFAOYSA-N 435.455 2.135 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 522673976 FOEKMDSNOJRPLR-UHFFFAOYSA-N 449.435 2.312 30 10 IEEE Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 541637748 DWDGXPRIQFDKDQ-UHFFFAOYSA-N 432.440 2.170 30 10 IEEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(Oc2cccc(C#N)c2)CC1 542255788 MFNQBMSNBMYTLD-UHFFFAOYSA-N 445.453 2.485 30 10 IEEE CC(C)CN(C(=O)CNc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCS(=O)(=O)C1 542936901 VWBVPUQQKLJIMA-KRWDZBQOSA-N 449.964 2.481 30 10 IEEE CC(C)CN(C(=O)CNc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCS(=O)(=O)C1 542936903 VWBVPUQQKLJIMA-QGZVFWFLSA-N 449.964 2.481 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(S(=O)(=O)CC3(C#N)CCCC3)C2)cc1 545365039 COOFOEVIPRJTOP-GOSISDBHSA-N 439.603 2.399 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 546094610 GZZAWIZJKAGLNF-UHFFFAOYSA-N 439.603 2.359 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(C(N)=O)cc3OCC(F)F)CC2)n1 558510961 JPAQXDYHHZUXCK-UHFFFAOYSA-N 430.415 2.050 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)nc1 564050717 PQCZLEIVOPNJPM-UHFFFAOYSA-N 446.488 2.223 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 579737846 SHCADNYMWFZRBV-JOCHJYFZSA-N 439.608 2.071 30 10 IEEE COC(=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 603687724 XJBIVQZYIFZNRO-UHFFFAOYSA-N 442.497 2.192 30 10 IEEE Cc1ccc(Cn2c(=O)c3c(nc(N/N=C/c4ccc([N+](=O)[O-])cc4)n3C)n(C)c2=O)cc1 606630234 LJVITIOGPCQDJH-FSJBWODESA-N 447.455 2.145 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 615012883 SKEZQRDQGTXOHI-CQSZACIVSA-N 441.509 2.210 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669815570 FOWBYBIQCXIGIU-OAHLLOKOSA-N 430.896 2.266 30 10 IEEE COC(=O)c1coc(C(=O)/C(=C(/S)NCC(C)(C)CN(C)C)[n+]2cc(O)ccc2C)c1 729670721 WNEPVNFZQXFXDP-UHFFFAOYSA-O 448.565 2.484 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C3CC3)c2=O)cn1 735069640 XFGLQVQTCHTMHW-UHFFFAOYSA-N 433.537 2.017 30 10 IEEE C#CCSCCNC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 740075065 CGECUACCYMIQDU-UHFFFAOYSA-N 428.480 2.338 30 10 IEEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 743114465 OKIYHWDITAJTLJ-BUIMCUSZSA-N 449.577 2.364 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCN1C1CC1 745875453 OFIGJJZMVFORTD-SJLPKXTDSA-N 433.459 2.165 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 766981703 ZYIAKXQYZWRCAN-NRFANRHFSA-N 427.482 2.067 30 10 IEEE C#CCN(C(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 774035106 FDBLBPSMXSMSML-IBGZPJMESA-N 444.557 2.164 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(OC(F)F)cc3)n(C)c2=O)cn1 776285774 PAXRQFSVCRLBIL-UHFFFAOYSA-N 444.463 2.041 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 780977888 KJXPWLUZDCJFJE-LJQANCHMSA-N 425.551 2.499 30 10 IEEE CN(C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C)C(C)(C)C#N 782392464 OALSPWPREGGCKK-WEBUEUPWSA-N 437.537 2.389 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N1CC(=O)NC1CC1 782816915 YCLVWOANDBJDNK-AWEZNQCLSA-N 442.463 2.274 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CCCn2ccnn2)C1=O 784123871 GTUQXPVEDJILTJ-QGZVFWFLSA-N 430.534 2.223 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n1 786293056 ICTGRDOLTVPNJT-OAHLLOKOSA-N 443.529 2.264 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCCC1 786296836 OOIYTLJHFREDRG-IERDGZPVSA-N 431.537 2.066 30 10 IEEE C[C@H](CC(=O)N1CCC[C@@](CO)(c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 801474957 ZYZPJZRFRYESIE-UZUQRXQVSA-N 441.553 2.056 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)S(C)(=O)=O 802575136 KXXKURKAVZLJRU-UHFFFAOYSA-N 447.609 2.288 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 804455457 VTSPKLHFBYZKRQ-DENIHFKCSA-N 430.508 2.287 30 10 IEEE C[C@H]1CN(Cc2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2)C[C@H](C)O1 805843671 PUHDMNBNKASXDJ-IRXDYDNUSA-N 427.526 2.427 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812291479 BSNFWWYFPSBODF-DLBZAZTESA-N 439.541 2.232 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H]2CCCO2)CC1 812310157 NKCJPFVWWHXBMP-OAQYLSRUSA-N 446.555 2.426 30 10 IEEE C[C@@H](OC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 854172677 DMLZYSDJHFNJMU-GFCCVEGCSA-N 444.513 2.233 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1cnc2sccc2c1=O 923408126 CNCXRUXDORTROH-AWEZNQCLSA-N 440.481 2.345 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)N3CCC[C@@H](C)C3)n[nH]2)c([N+](=O)[O-])cc1O 1084562662 GIIHYHCODBWGDS-LLVKDONJSA-N 449.493 2.224 30 10 IEEE Cc1cc(F)ccc1N(CC#N)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1132126809 PMEOYZWFOUIWAQ-UHFFFAOYSA-N 433.509 2.134 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)c(OC)c1 1134300965 GQVQCCLPNGAXTK-IBGZPJMESA-N 428.485 2.173 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cs1)C(N)=O 1135836729 UWMGUGYDIJRKOK-OAHLLOKOSA-N 443.598 2.258 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1139102973 ZQMBLTBCPGGWCX-UZUQRXQVSA-N 426.517 2.349 30 10 IEEE C#CCN(CC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C(=O)OC(C)(C)C 1147867962 ZWAWWTXPKWIKIS-INIZCTEOSA-N 437.537 2.141 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 1157127126 HYFYMBZUMZCDQX-YJBOKZPZSA-N 448.976 2.340 30 10 IEEE CC(C)[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 1161688875 CFLGIXSHKWEAIE-UXHICEINSA-N 435.933 2.364 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C[C@H]1O 1175714340 GPZPERLOYNXYSI-LJQANCHMSA-N 430.480 2.099 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OC 1193574122 PORCNRHPARETEB-LBPRGKRZSA-N 438.271 2.161 30 10 IEEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)Nc1cc(F)cc(C#N)c1 1219799099 FLIAGQBMUHGBNR-LJQANCHMSA-N 428.464 2.407 30 10 IEEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1234025561 ZEJUTAFBOHVTSG-NVXWUHKLSA-N 439.545 2.060 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1286394792 WTGPOWXBFLPNGA-IBGZPJMESA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCCC2)nc1 1286416716 WIDQWRPXHVYNLO-UHFFFAOYSA-N 445.571 2.297 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(F)c(F)c2F)CC1 1286477134 OLVCYZYOEUYRNG-UHFFFAOYSA-N 429.450 2.094 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286504151 NIAZARNBCVYWHJ-UHFFFAOYSA-N 427.578 2.290 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286604264 HKYYGTMCXAUGAQ-IYBDPMFKSA-N 438.326 2.200 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286680836 NNCSAZROYBKZTE-FQEVSTJZSA-N 429.613 2.087 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1286764388 NVLVRRVEACLOMI-IBGZPJMESA-N 442.564 2.168 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3OC(=O)O[C@@H]3C2)cc1 1286793768 LSKOYUXLIRSMQR-ZWKOTPCHSA-N 441.488 2.144 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](SCC)C1 1286793785 LZZPJYPTSDRFGJ-SCTDSRPQSA-N 437.610 2.416 30 10 IEEE Cc1ccc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1289687078 BNDFNPGUAIBPJN-KRWDZBQOSA-N 430.516 2.310 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1291079405 BBJJBPYIXDKYPZ-HXOBKFHXSA-N 425.533 2.489 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1291415718 OSGZTHTUTMDCAT-PXNSSMCTSA-N 447.547 2.389 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 1292357647 DXRNUQDOQFPWCK-FQEVSTJZSA-N 443.500 2.086 30 10 IEEE CN(C)CCN1CCC(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1292966711 OXCQBZGQMIXUNV-UHFFFAOYSA-N 448.409 2.147 30 10 IEEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OCC 1298020817 LOMQCFXGZOHIKN-WBVHZDCISA-N 425.551 2.073 30 10 IEEE C#CCN(C)CCCNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1298677382 UWTAWXMUCADFGX-SFHVURJKSA-N 431.533 2.441 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300400718 JZVPGCGSRFRSKI-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)cc1 1300642874 WOHWSDFRBLZUDG-UNMCSNQZSA-N 439.560 2.347 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301259205 HXMABSKOQIFMRE-SIKLNZKXSA-N 430.553 2.117 30 10 IEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1301620661 INGCCFKUFKBLAN-UHFFFAOYSA-N 434.541 2.377 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1c(C)coc1C 1302092316 IJTPAJSEEDABFV-MJGOQNOKSA-N 428.537 2.437 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1303468988 AQLTVANQUAZJIM-UHFFFAOYSA-N 437.957 2.061 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(Cl)s1 1303835585 BWAQEJUTOGYFHZ-MEDUHNTESA-N 446.961 2.288 30 10 IEEE CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309197708 FJLRRCFDNCIGMU-CABCVRRESA-N 435.365 2.297 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1315811823 FGZMAJQPVWFUPD-YLJYHZDGSA-N 442.539 2.491 30 10 IEEE Cc1oc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1S(C)(=O)=O 1357483975 LHAHHLICAFTDES-LVZFUZTISA-N 439.515 2.057 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](F)COC)c1 1358902803 ZUAOKIITPPWEFP-MSOLQXFVSA-N 429.496 2.213 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1358921721 HJQZAROYJHMZEA-ZDUSSCGKSA-N 442.383 2.329 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC(F)(F)C1(OC)CCOCC1 1358937153 KHKZKZUMEPHGQF-UHFFFAOYSA-N 427.496 2.097 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C 1359024489 OFPTWXJKNXGCSK-UXHICEINSA-N 445.589 2.101 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](CC)OC)CC1 1359046339 NVMUSSDQBNBQAA-LJQANCHMSA-N 427.524 2.399 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1359157298 FLRKPXQGZXBLIT-PMACEKPBSA-N 436.944 2.168 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1359231728 DJNZTDKYQHBJLX-QHCPKHFHSA-N 427.549 2.437 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1359260336 AVZFESVICKFOME-KRWDZBQOSA-N 434.537 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCc1cnccn1 1359294194 NMLACYVWUOABIT-UHFFFAOYSA-N 443.515 2.106 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCCn1cc(Br)ccc1=O 1436528940 ZIPZQHNVCZRJJF-UHFFFAOYSA-N 434.290 2.466 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 1453899360 XEKUHEHTDSNZKM-QGZVFWFLSA-N 427.309 2.368 30 10 IEEE O=C1C=COC2(CCN(CC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)CC2)C1 1460860700 RZDATDRPYGXRLO-UHFFFAOYSA-N 439.343 2.375 30 10 IEEE Cc1c(S(=O)(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)sc2ccc(C#N)cc12 1463328721 AFVSARGFTIXNBB-HIFRSBDPSA-N 427.573 2.078 30 10 IEEE CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)Cn1cc(C#N)c(O)nc1=O 1464533164 VHUNZYNPLYYOQQ-UHFFFAOYSA-N 439.447 2.486 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)n[nH]1 1492687216 CXROZKSIKSHHEJ-UHFFFAOYSA-N 445.453 2.170 30 10 IEEE CCn1cc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)cn1 1502229455 FTVNLAQABFOCOK-QGZVFWFLSA-N 434.552 2.455 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1ccnn1 1507606259 FYQXRGUOOOOASQ-UHFFFAOYSA-N 430.310 2.467 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507635531 SURWMKDMUKMCQR-MSOLQXFVSA-N 448.614 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1507637758 MZWHJUZDGUBFRJ-UHFFFAOYSA-N 446.555 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(C(N)=O)nc1 1507672412 AQVQTXXQJPLTMI-UHFFFAOYSA-N 442.523 2.479 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507743649 IAKWOKVFISZJCL-IRXDYDNUSA-N 427.578 2.211 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)C1 1507805647 KSACCUXNTKOUEI-AVRDEDQJSA-N 425.533 2.159 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1508161912 ODHAPKBOLFHYJW-CYBMUJFWSA-N 445.014 2.123 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1509947627 BMQXQOFWEKLVKU-SJLPKXTDSA-N 444.561 2.279 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1514145374 YMCJCKRKXLBNOP-SJORKVTESA-N 439.545 2.137 30 10 IEEE CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514819116 QBBPBHNPHLPAKI-ZWKOTPCHSA-N 445.568 2.173 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC)c2ccccc2c1=O 1515949040 OQXQPFZBNAEPJC-NRFANRHFSA-N 425.468 2.153 30 10 IEEE CCSCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1516933618 RLGLSHWCHHKTHH-GOSISDBHSA-N 442.593 2.324 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCOCC(F)F)CC2)c1 1521110807 RHLFOHPOJRIOKD-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)Oc2ccc(C#N)cc2I)C1 1524881406 KKRXZIXWNFWPAD-AWEZNQCLSA-N 442.253 2.342 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)c1cc(I)ccc1-n1cnnn1)C2 1530025508 VAWWGUWTGQXPRM-UHFFFAOYSA-N 442.220 2.295 30 10 IEEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2=O)c1 1531355124 UBYHTLUNGVPEGR-LJQANCHMSA-N 443.467 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539323785 LJPSFSBKEINRTJ-UNMCSNQZSA-N 448.571 2.303 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1539382236 BJTZWJDLZKXOAI-UHFFFAOYSA-N 432.546 2.150 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@]2(O)CCSC2)n1 1539424587 UAPKEXYSCRABCG-JOCHJYFZSA-N 446.621 2.217 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC=CCC2)CC1 1539462580 XLSLBNMVKZNSSO-UHFFFAOYSA-N 434.588 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 1539467291 QVRPOOTUYBAPLI-UHFFFAOYSA-N 446.559 2.170 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 1539510776 OQWHYZHSMRTILF-GOSISDBHSA-N 430.379 2.430 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1539997920 XBLVNOGQGJAFDY-UHFFFAOYSA-N 441.561 2.179 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1CC 1540120716 VHVHWLMGYZCFDF-GOSISDBHSA-N 436.520 2.090 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1540193611 AAUOKZPOECELAO-MRXNPFEDSA-N 448.545 2.137 30 10 IEEE N#Cc1cccc2[nH]cc(C(=O)NCc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)c12 1541027984 FEGXDEYGELDPBI-KRWDZBQOSA-N 438.509 2.427 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1541117625 KAYFPGYOKQDNPZ-FUHWJXTLSA-N 433.507 2.216 30 10 IEEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1544272828 CQSRRTYWMKNDTI-SFHVURJKSA-N 442.589 2.172 30 10 IEEE C#CCCN1CCN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1544680778 UWWQOSYHXVNNEN-XMMPIXPASA-N 447.535 2.054 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1B1OC(C)(C)C(C)(C)O1 1546080138 BWGYOVWEIHJKKG-UHFFFAOYSA-N 445.346 2.313 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547700388 HYISDRVZNBEKDF-WZONZLPQSA-N 436.539 2.285 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)cc1 1547758150 GWGUMIDQNXQRHY-KSFYIVLOSA-N 444.511 2.242 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)N(C)C1CCCCC1 1555727592 IKNWYAIDLJLUHH-ZWOKBUDYSA-N 432.569 2.389 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1558256555 SSOVHLSHUJAFMJ-OPAMFIHVSA-N 439.553 2.435 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)C1 1558691298 HZGRWLSBDAVGJX-GGAORHGYSA-N 434.492 2.395 30 10 IEEE N#Cc1c(N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)ccc([N+](=O)[O-])c1N 1559149078 CHKFARZVUKZPLF-NRFANRHFSA-N 434.500 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCO[C@H](c2ncon2)C1 1567518288 CECHYSYPBLSFPF-ZWKOTPCHSA-N 439.472 2.376 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1587847568 NTMFGQHRRIGFJE-UHFFFAOYSA-N 447.543 2.180 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)[C@H](C)CC 1588124139 CYLGOWZHWVPQNO-MZNJEOGPSA-N 432.528 2.062 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1sccc1Br 1588158806 KDLUVQOKJLJNHC-UHFFFAOYSA-N 432.347 2.346 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588284203 OJIBIFCMSMJDTD-MRXNPFEDSA-N 427.530 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CSCCS2)CC1 1588930464 WQJGZNYFBPBONV-QZTJIDSGSA-N 449.646 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@H]1C 1589185653 FTWHZSSLYHFFNN-FNVCAUGXSA-N 426.517 2.494 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1593690781 PNTRKQPZZGRXIV-UHFFFAOYSA-N 440.548 2.139 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CCOCC2)CC1 1594035793 MPRIKLOKYWPQTL-SFHVURJKSA-N 445.589 2.226 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1596709127 DIWIMNIODYOWSH-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE N#CCOc1cccc(OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1597184096 KDLWCQMOJUUZBH-UHFFFAOYSA-N 425.466 2.467 30 10 IEEE Cc1ccc(C(=O)NCC(=O)N(C)CCc2ccccn2)cc1B1OC(C)(C)C(C)(C)O1 1611347279 CZKLKASZCYRIQG-UHFFFAOYSA-N 437.349 2.120 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1613478331 IECKECFTADSQIN-PMACEKPBSA-N 443.573 2.374 30 10 IEEE CC(=O)N[C@](C)(C(=O)N1CCCc2c(C#N)cccc21)c1ccc(S(C)(=O)=O)cc1 1616597167 XLDAXWZUUZVVBG-QFIPXVFZSA-N 425.510 2.292 30 10 IEEE C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1618499532 AURNMRPBBXQMTM-DHBPRGKBSA-N 446.592 2.485 30 10 IEEE CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 1620575108 JMCAPTVGNKITKA-CQSZACIVSA-N 427.452 2.180 30 10 IEEE C[C@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1625121118 GCOBZQKAVUXBJN-MRXNPFEDSA-N 443.500 2.439 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1S(=O)(=O)NC1CCCC1 1635200729 MOQNNWQRPCAGKO-UHFFFAOYSA-N 431.514 2.265 30 10 IEEE C#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 1637747410 ZFIBAHSMCXJZKP-CQSZACIVSA-N 437.315 2.282 30 10 IEEE CCc1ccc(C(=O)Nc2sccc2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1641033395 AJZTZPCXZFELSM-UHFFFAOYSA-N 437.481 2.127 30 10 IEEE C#C[C@@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)C1 1643853846 DGODZOVSEHZFJP-QGZVFWFLSA-N 430.574 2.408 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1646252076 IWBDPBSMECLULM-FQEVSTJZSA-N 425.470 2.445 30 10 IEEE N#Cc1ccc(C2(NCC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCOCC2)cc1 1648004188 RPDIOSCCWIBWBA-UHFFFAOYSA-N 432.524 2.362 30 10 IEEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1 1648148827 NFLSLBKZYYVVQM-UHFFFAOYSA-N 447.601 2.429 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCCC3(C)C)nnc12 1654631172 NPMJXTDNGXMPDU-UHFFFAOYSA-N 440.573 2.313 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 1662022440 XLQVIJYWGDKSCZ-OAQYLSRUSA-N 445.493 2.445 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)OCC 1663384593 JVIOIRBHZLMEJT-AWEZNQCLSA-N 434.308 2.412 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1665096788 YIBBZNFEHFTGTI-UHFFFAOYSA-N 425.510 2.458 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 1671452572 CZWYRRQJZBWSOY-UHFFFAOYSA-N 442.470 2.100 30 10 IEEE C#CC[C@@H](COC)NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1677574284 NBIMTKBGIVNACW-AWEZNQCLSA-N 431.352 2.339 30 10 IEEE CS(=O)(=O)C1(CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1686352216 YHQPAKGJOAITMV-OCAPTIKFSA-N 444.344 2.376 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1689875490 UFKRFJMSNMPPKX-ZDUSSCGKSA-N 449.499 2.040 30 10 IEEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1689948539 YUKBEDDECCFIKV-LJQANCHMSA-N 447.630 2.268 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(OC)CCOC1 1690095438 QDLDUIKMJCEKIV-HSZRJFAPSA-N 436.516 2.227 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCOC 1690170895 RRECUVZQRHTGOX-UHFFFAOYSA-N 426.546 2.124 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1690993189 GSFSXKCEAAEJDR-CABCVRRESA-N 429.550 2.208 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccco1)N1CCCC1 1698171576 RESCZPLUUZOFBV-GUDVDZBRSA-N 444.536 2.161 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1698431819 CNVLUFPPRHYORJ-UHFFFAOYSA-N 439.545 2.090 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(Cl)nc2)cc1 1698489745 XCVCRKZRQZXXRY-INIZCTEOSA-N 437.891 2.137 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705532632 PNMVNQSJTGZASY-ZWKOTPCHSA-N 444.580 2.473 30 10 IEEE C#CCCCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705539551 VDSJSPVVQFTRTI-APWZRJJASA-N 429.487 2.416 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705564289 ANNUTDIWGVHFLC-FUHWJXTLSA-N 444.557 2.258 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc(Cl)cn1 1705587665 DPFXLBKLGKIKKQ-LPHOPBHVSA-N 429.908 2.202 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C(N)=O)nc1 1705611067 OJQXRPRFXYSUCQ-UHFFFAOYSA-N 426.484 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)CC1 1705649851 HVJYDMCUGAVNHH-UHFFFAOYSA-N 445.514 2.276 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705735882 XUYHWZCLMXELME-SJLPKXTDSA-N 449.577 2.220 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCCC)CC1 1705777418 INSIEMXDPVNWDG-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1705795037 BBLXIKMLFOESNL-LJQANCHMSA-N 439.564 2.238 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705828768 YFOQKLFLMDKMQZ-GOSISDBHSA-N 427.553 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@@H](COC)C1 1705899238 MAROQQNFZACBNC-QGZVFWFLSA-N 441.532 2.271 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1706749306 SEZDEKXYODBGNF-CQSZACIVSA-N 427.509 2.193 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)c1 1707630544 AVDILBCDXVDPDA-HXUWFJFHSA-N 438.532 2.201 30 10 IEEE CCn1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)cn1 1710183725 FRKCKSPEUPDSMJ-OAHLLOKOSA-N 445.325 2.040 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCc2nnc3n2CCCCC3)CCOC1 1710415886 DYQFBWKCBZFSKN-VGOFRKELSA-N 442.568 2.229 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCO[C@@H]1CCOC1 1710748798 CXOMKASCUCQHBK-RTWAWAEBSA-N 441.532 2.460 30 10 IEEE COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)ccc1Cl 1711656327 FQXDPPLDGLLJLH-HNNXBMFYSA-N 432.912 2.050 30 10 IEEE N#CCSCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC[C@@H]1c1ccccc1 1719525052 JMSAEGCVIRDWFK-KSIVUZQRSA-N 425.554 2.167 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)CN(C)C)c1 1722310660 YLXHNEJMRCRSNK-UHFFFAOYSA-N 446.559 2.379 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722359680 AAKPEYYGZNNWKD-UYAOXDASSA-N 439.541 2.288 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1722424682 VZNJFIQCVMJKQB-UHFFFAOYSA-N 439.541 2.019 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1722427206 LCAKVTHGCJITGZ-GGAORHGYSA-N 426.565 2.431 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(OC)CCCCC2)CC1 1722446322 RVTSHOJTETUAOS-UHFFFAOYSA-N 437.548 2.050 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722624545 BUCREZSURJHEKK-KRWDZBQOSA-N 449.577 2.017 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C)s1 1722629153 GKBBLOCXUGMNMU-HNNXBMFYSA-N 425.580 2.174 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)COC1 1722659065 NSTLADRQWUVKKZ-HNNXBMFYSA-N 437.541 2.257 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(C)C)C1 1722725591 OLSGLABWYSSTPP-LJQANCHMSA-N 434.562 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1722728572 RRVPXFBNHMGTKB-OAQYLSRUSA-N 436.553 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1722729211 YHEKMNRZWOJCDF-UHFFFAOYSA-N 449.552 2.110 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1730730786 AXTUCFKNQKGGDY-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCO[C@H]1CCOC1 1730950106 ZQDMTRLAVJNMGC-ZVVDCOBXSA-N 433.553 2.328 30 10 IEEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1740580433 XVUGAHSMPRODRQ-GOSISDBHSA-N 443.573 2.334 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740753836 ACMHINOXNAFTFU-IRLDBZIGSA-N 438.576 2.137 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1740888150 KQPUUMQGPUOWGO-UHFFFAOYSA-N 441.580 2.181 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1740977342 UHTUEZAMENOYHM-WSTZPKSXSA-N 443.596 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740991025 MJAMUDJXYSIAPF-UWJYYQICSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccccc21 1740995534 OZXIZUWYOFOXCB-HKUYNNGSSA-N 432.546 2.297 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1741133733 UILMFEVGVZNVKE-IEBWSBKVSA-N 443.621 2.469 30 10 IEEE CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C 1748066853 CHZWVRMVAQVCHX-CVDCTZTESA-N 429.613 2.328 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748647886 UPSOQPUKKJQVHU-HOYKHHGWSA-N 439.560 2.333 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1748772239 RIICYLIHPOSGDC-JOCHJYFZSA-N 430.505 2.074 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748808611 METXQDIIPMCZGT-AWEZNQCLSA-N 443.407 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H](C(C)C)N1CCOCC1 1748853227 YKQTZVPBYDDWNQ-HXUWFJFHSA-N 426.590 2.063 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C 1748968754 KGGUIDDDHYQIFD-HRAATJIYSA-N 434.924 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cnn(C)c2C)CC1 1749016419 DNJOPECBJGFEKO-UHFFFAOYSA-N 445.571 2.233 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@H](C)C1 1749119000 MBQCGJSVRWEIKW-NNXHMXCWSA-N 443.639 2.200 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749241430 NIQCJEAYDRVSCH-BJLQDIEVSA-N 430.553 2.322 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1749456305 AVRKUTHISCQLIJ-LJQANCHMSA-N 430.553 2.383 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1749457792 QSAOUUUELPAGHT-INIZCTEOSA-N 426.583 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OC)C1 1749655409 KARPFNVIXSFVGL-CYBMUJFWSA-N 438.301 2.374 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1749740800 YYTHEDXWRADHIE-JOCHJYFZSA-N 446.573 2.094 30 10 IEEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1749900846 DJMCDISRBKSJOF-IBGZPJMESA-N 444.499 2.139 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CCS1 1750682445 FMPNSUUUOPQPRQ-GOSISDBHSA-N 438.561 2.483 30 10 IEEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1760146310 JEENZPJWJFAZFE-UHFFFAOYSA-N 426.546 2.201 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1760179901 PLWDUULFZMOSDV-UHFFFAOYSA-N 429.937 2.446 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760181327 SIKRLABCSYOVBK-NVXWUHKLSA-N 434.587 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC=C 1760198648 GJVUKDSZZNQFPI-UHFFFAOYSA-N 442.317 2.091 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1760217943 RZLSJPWDSDOPQR-GOSISDBHSA-N 446.511 2.252 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1760294534 ZTOHRWOAYJADGG-ORAYPTAESA-N 433.438 2.273 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1760396117 IRFGLLHDLMMGEC-UHFFFAOYSA-N 430.597 2.464 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760430532 MHNRZRXBVNHADQ-MRXNPFEDSA-N 446.577 2.325 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760448737 OAPLJLOBVPIOSS-KRWDZBQOSA-N 433.520 2.243 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2snnc2C)C1 1760550116 SFICJGMBPWYSOK-CQSZACIVSA-N 445.574 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCCO1 1760558479 PXTHBUBLHDGWQT-ZIAGYGMSSA-N 428.465 2.251 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1762239220 CBEBNUBVQVDPEX-YVHKJVDXSA-N 449.575 2.138 30 10 IEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C2CCC1(C)CC2 1766946334 JQZMTOYAPUEGCZ-UHFFFAOYSA-N 444.561 2.141 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCCOC(F)(F)F)cc1 1770735685 NHXCGNBOQIIBHG-HOTGVXAUSA-N 434.422 2.458 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC)C2)cs1 1770868219 FZFOMLNBIIBZAJ-GOSISDBHSA-N 440.529 2.320 30 10 IEEE CS(=O)(=O)N1C[C@@H](C(=O)N2CCCc3nc(C#N)ccc32)Oc2ccc(Cl)cc21 1853020453 OKYVBQQNOJOXIH-SFHVURJKSA-N 432.889 2.113 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)C[C@@H]2CCOC2)c2ccccc21 1853961288 UGKJZBFKKVESFK-HNNXBMFYSA-N 425.466 2.053 30 10 IEEE CC1(C)C(=O)N(C(=O)CC2CC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1854454497 QPKLPTVBAYXFKZ-UHFFFAOYSA-N 425.457 2.132 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(F)c(F)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854525164 CJLHSDICVSKAEZ-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(F)c(F)c4)C(=O)C3)C2)s1 1856379840 GEGKTXXJCYRDLX-OAHLLOKOSA-N 430.480 2.457 30 10 IEEE N#Cc1ccc(NC(=O)c2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccn23)cc1 1858242204 UTCXHIZJAJYDCZ-UHFFFAOYSA-N 431.452 2.437 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862593604 JMYOXYNARQSPST-SFHVURJKSA-N 425.397 2.015 30 10 IEEE CCOc1c(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cccc1OC 1873528906 JXJTVKDKPFJDTN-QOJWJBQSSA-N 440.909 2.110 30 10 IEEE COc1cc(/C=N/n2cnnc2SCC(N)=O)cc(Br)c1OC(C)C 1874537844 ZUJKDCUQHKKVBV-KPSZGOFPSA-N 428.312 2.296 30 10 IEEE C#C[C@@H]1CC12CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 1891724915 NYIHFSXPOVTNBH-VQIMIIECSA-N 431.514 2.400 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010149449 CAMNDWVLPDYGJG-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE Cc1cnc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224118384 TXVOIQPEUMNDEW-IRXDYDNUSA-N 433.358 2.471 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255636871 AQCJJXORUHNSDM-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255707419 WBGRKNFOEBAAAW-WCQYABFASA-N 430.232 2.250 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255822705 ONYUBMXBLBZDLH-INIZCTEOSA-N 444.772 2.377 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2255823687 XQGJIONEDMVCSM-HZPDHXFCSA-N 432.326 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2256621299 SKQBWLUFMYTERC-ZIAGYGMSSA-N 449.382 2.171 30 10 IEEE Cc1cnc(N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2257638119 WPRANMJSQXVXGU-MRXNPFEDSA-N 435.374 2.401 30 10 IEEE CC(C)(C)OC(=O)NCCCN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2266070633 BRMAGPYFOHSJBB-UHFFFAOYSA-N 446.401 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267093936 ZJNQDTXPSYIMFO-GJZGRUSLSA-N 446.357 2.038 30 10 IEEE CO[C@@](C)(CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267127350 IQIOMZHXRRSXRT-QHCPKHFHSA-N 443.353 2.071 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)[nH]n2)OC1(C)C 2267146867 NEDDFOGOKLRHGD-RBUKOAKNSA-N 436.365 2.303 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267193955 AGYINJKVCXECAY-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCc3ccccc3)nc2)OC1(C)C 2267222070 VYDZXHLUWRPQAW-TZIWHRDSSA-N 438.333 2.485 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267515517 PRJLGXOLLXMKPU-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267519104 FOHFLCDDWBTGQB-OALUTQOASA-N 436.365 2.066 30 10 IEEE Cn1nc(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267536986 NVYQYADKKHTHPG-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CCCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267541893 KDWHHIRSUCQLCX-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267878839 BZYKMMKLTZURCS-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)OC1(C)C 2267881276 GFDHAAOBHYBMNC-KDURUIRLSA-N 434.349 2.265 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268630046 FPUBFWQMGAUQDI-HOTGVXAUSA-N 447.341 2.201 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1C 2337327462 GGHFHWVYUYXBKP-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE COc1nc(N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786874 SLFDGVFIFNVUDY-HNNXBMFYSA-N 449.357 2.119 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345735882 LOBJZSALXKNLSE-IBGZPJMESA-N 440.372 2.170 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](O)C#Cc2ccc(Br)cc2)(S(C)(=O)=O)C1 2351750584 VEDMBZNNVYAPCJ-HNNXBMFYSA-N 444.347 2.196 30 10 IEEE CCN(C/C(N)=N/O)C(=O)c1cc(Br)ccc1I 233437033 NESHYHCVBPGULH-UHFFFAOYSA-N 426.052 2.262 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)CC2=O)cc1 238959629 YHXFHUDOFRBVRA-GPMSIDNRSA-N 435.484 2.216 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1 460159428 BDXONBWVMCGFKX-UYAOXDASSA-N 449.536 2.346 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 471008886 BUIAKOPGPQBGDO-WIYYLYMNSA-N 438.915 2.179 30 10 IEEE CN1CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1C#N 474783981 IOXNYPWCKBVZGY-JTQLQIEISA-N 434.075 2.333 30 10 IEEE COC(=O)C[C@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccc(F)c1 476776625 KXMZVOUZAWPJBC-NRFANRHFSA-N 447.488 2.144 30 10 IEEE CC1CCN(S(=O)(=O)Cc2ccccc2CNS(=O)(=O)CC2(C#N)CCC2)CC1 477492517 ZFMMOHPLIXXIBB-UHFFFAOYSA-N 439.603 2.362 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489686391 CPMQHJVHPPCQRF-LJQANCHMSA-N 448.932 2.136 30 10 IEEE CN1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1c1ccc(F)c(F)c1 497486951 UYIDBPUQANSDAP-WOJBJXKFSA-N 448.495 2.332 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O[C@H]2CCCCO2)cc1 504397149 HTUDKBKUGBIVNY-NTZUZEMLSA-N 428.503 2.489 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508831957 HYGHKZLCNXSBJR-IBGZPJMESA-N 425.533 2.139 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 508937941 FBHMENMKHFTXIE-UHFFFAOYSA-N 445.589 2.419 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 515665115 HVWPNCWIEPJEKI-UHFFFAOYSA-N 446.557 2.394 30 10 IEEE COc1ccc(NC(=O)CN(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCCCC1 532820638 VSWNERIRVDLRLQ-INIZCTEOSA-N 434.562 2.432 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 558963392 RGWQPSXCGPJCFC-UHFFFAOYSA-N 437.552 2.231 30 10 IEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(Cc2nc(C)no2)CC1 559010062 VTISQJCXATXFAL-IBGZPJMESA-N 437.504 2.380 30 10 IEEE CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1n1cccn1 564231875 RILUPFRUKBPWCT-BZUAXINKSA-N 425.308 2.214 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 609141361 MYMPZGYUHDTSRY-UHFFFAOYSA-N 427.526 2.334 30 10 IEEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(Cl)ccc1C#CCCO 703972423 CUTSBUVESXIROB-UHFFFAOYSA-N 432.885 2.112 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1 731887416 BWLJHIPUTXSYPX-LNVKXUELSA-N 431.452 2.170 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)cc1C#N 747494871 KTQLQUGNOPZCAT-UHFFFAOYSA-N 438.465 2.017 30 10 IEEE COC(=O)c1cccc(COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1C#N 756139712 RXODGVUKPNLOKJ-UHFFFAOYSA-N 442.493 2.489 30 10 IEEE CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)[C@@H](C)C1 760756979 OVZQQPDCXQDCRV-YZNZPZSRSA-N 449.577 2.364 30 10 IEEE C#CCOc1ccc(COC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 765131501 JOXYOOSPTFNGCV-SFHVURJKSA-N 432.498 2.448 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2cccc(C(=O)NC3CC3)c2)c1 784528054 ZOMDQNABGCOMIA-UHFFFAOYSA-N 448.298 2.332 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)n1 789148553 ZMWGCMDTBQOKIC-LEWJYISDSA-N 431.487 2.398 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N(C)C(C)C)nc1 789967108 BFZKAMQAGULHTR-HNNXBMFYSA-N 428.566 2.403 30 10 IEEE Cc1ccc(CN(CCO)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)o1 794317338 OZIIRMUXUGZJLE-UHFFFAOYSA-N 433.530 2.208 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC 796098249 YGIIITZVQBPVLI-KRWDZBQOSA-N 436.555 2.370 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800771133 GXFSDWHGOQMLEC-OAHLLOKOSA-N 439.582 2.202 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(C)(C)S(C)(=O)=O 800780943 OQKOEPNEIDEPAR-UHFFFAOYSA-N 430.372 2.492 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@](C)(O)CO)c1 801976696 GHYCPXCWLMVRAZ-FQEVSTJZSA-N 438.933 2.194 30 10 IEEE Cc1nc2sccc2c(=O)n1N=Cc1ccc(S(N)(=O)=O)c(Br)c1 807959437 SVLIPICVHGQQSJ-UHFFFAOYSA-N 427.305 2.059 30 10 IEEE N#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(F)cc1 918556513 DHGUNBQLAUPZPG-SJLPKXTDSA-N 443.456 2.144 30 10 IEEE COCCN(C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccc(C#N)cc1 1126075491 FXUXWUDBIXBXDU-MRXNPFEDSA-N 430.505 2.005 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OCC 1132934235 BUYQYJJGMYDYFO-CVEARBPZSA-N 428.576 2.471 30 10 IEEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)OC(C)(C)C 1136281988 VQEDNRUSOFGSPB-PTGBLXJZSA-N 448.545 2.308 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 1136630116 HPRODABFGQPOCU-SFHVURJKSA-N 434.905 2.348 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 1149576078 ZENSHPCSXDHMJP-DEOSSOPVSA-N 440.565 2.193 30 10 IEEE C#CC[C@]1(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CCCN1C(=O)OC(C)(C)C 1157375636 UEYGZFQEGCHRCZ-HSZRJFAPSA-N 440.548 2.438 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(N4CCCOCC4)CC3)ccc2c1=O 1161027720 CALPEKVBMDHNQF-UHFFFAOYSA-N 428.558 2.198 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cccc3c2OC(F)(F)O3)s1 1167256967 JXWWFQSHADYWNF-UHFFFAOYSA-N 444.481 2.435 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nccc(Br)c2O)s1 1169382506 GCFGJXCPISUGPL-UHFFFAOYSA-N 432.321 2.257 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCNS(=O)(=O)Cc1ccon1 1286282553 NGQDNACPMCRMMJ-MRXNPFEDSA-N 442.545 2.073 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1286350250 XZHIHDOHQUWGNH-PMACEKPBSA-N 443.573 2.148 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCNS(C)(=O)=O 1286528392 YQHJDGYFPFRXTM-JOCHJYFZSA-N 429.590 2.385 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCC(=O)NC 1286556728 FCORNIYBRHOXPP-XMSQKQJNSA-N 427.549 2.431 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1)c1ccccc1 1286614712 BDXUWHSEKMYNON-SFHVURJKSA-N 432.594 2.132 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286755243 QKVAVEHEONOFPU-UHFFFAOYSA-N 438.536 2.112 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1286959345 FRIYSYWWPNZXAU-JKSUJKDBSA-N 425.493 2.064 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)c1cc[nH]n1 1288908713 DNHUXKKFTKQGLR-HUUCEWRRSA-N 440.483 2.449 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1300381300 AZKRNISAXRLWRP-FQEVSTJZSA-N 429.565 2.482 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(C)(C)OC)CC1 1300709685 BCGLMFXOTLNEQK-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC)nc2)CC1 1300709948 MFUTXTFBWHERFY-UHFFFAOYSA-N 436.491 2.203 30 10 IEEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1 1300721396 PWIVIAXDOKZBLW-FAEJEUNOSA-N 438.598 2.224 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C)CC1 1300766907 NTLZESWXJIVFKK-UHFFFAOYSA-N 434.573 2.055 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCCCC1 1300938803 SQWAZCUXHPXJLS-QGZVFWFLSA-N 439.965 2.463 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2nc(C)cc2C)CC1 1301105320 HCUGCKCDOMRMNU-KRWDZBQOSA-N 435.598 2.194 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301236819 KDZPNQRHCHHIBB-QHCPKHFHSA-N 443.523 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(C)o1 1301567835 MBZHALJCSYZNET-INIZCTEOSA-N 435.550 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301577381 IRJBUGZKDLDLPD-GOSISDBHSA-N 429.546 2.279 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1303674317 LSHAFDBNUSPNLJ-IXDOHACOSA-N 434.541 2.361 30 10 IEEE Cc1csc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CC2)n1 1304634382 CIOFPFZJLAXJLO-UHFFFAOYSA-N 440.533 2.021 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCN2CCCC2)n1 1304764691 YPAUIKNWKVIYDI-FQEVSTJZSA-N 426.569 2.135 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)s1 1306053768 CPOJAOLVVNQZHC-CYBMUJFWSA-N 445.574 2.148 30 10 IEEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1313513397 FKIOWATZHPLIGN-LJQANCHMSA-N 431.500 2.360 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CC(F)(F)CO1 1314391819 UPRYLPANJPZCCK-QGZVFWFLSA-N 432.475 2.437 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCOC1 1314702337 VHJUKMUDHXPPHM-QGZVFWFLSA-N 442.520 2.479 30 10 IEEE COCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1315859906 FITLPJPBEAFIFT-HRAATJIYSA-N 446.577 2.213 30 10 IEEE COCCN(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC#N)CC1 1316071006 GQYDBWXCLQFQBX-NRFANRHFSA-N 440.548 2.499 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1316402921 CFBATBIVUDYUSR-UHFFFAOYSA-N 426.546 2.007 30 10 IEEE COC(=O)c1cc(C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)n(-c2ccccc2)n1 1322015360 DTVDLTNOTLJILY-UHFFFAOYSA-N 427.424 2.094 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1358882987 LNZVKHMUMNMSCK-CQSZACIVSA-N 448.936 2.164 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CC(C)C)N(C)C 1358941321 FNQFNJVKKVMVCI-LJQANCHMSA-N 446.621 2.241 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358961071 QZTGWEFOGGMSDZ-SFHVURJKSA-N 430.578 2.132 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC=CO1 1358991531 FBPKVQOQVKGPJQ-SFHVURJKSA-N 428.496 2.348 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCOC[C@@H]2CCCO2)CC1 1359036667 DTLNMENKHQLYET-NRFANRHFSA-N 441.551 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359043284 OQQBZBYWSHHPCR-REPLKXPHSA-N 438.576 2.453 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359197235 IOPSJXBQDXQUCX-QGZVFWFLSA-N 438.536 2.322 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1359240643 ULGIWWZUOGUSQB-LJQANCHMSA-N 449.577 2.069 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC 1359260656 KRXVLPGGBMQIRJ-QGZVFWFLSA-N 437.541 2.053 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](CC)C1 1359291879 DEDZPIQHWDLFDJ-HNNXBMFYSA-N 430.940 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1359333084 NXUKBOGUEISUOU-INIZCTEOSA-N 438.525 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCCOC1 1359335622 QDIUZCDRYSACJO-DZGCQCFKSA-N 442.492 2.293 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359342875 GRUGYNMZVVCRSG-BRWVUGGUSA-N 427.640 2.018 30 10 IEEE COc1ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 1436172744 OSTOFAFJADNXGG-QFIPXVFZSA-N 444.557 2.090 30 10 IEEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)CCc1c(C)nn(CCC#N)c1C 1449911773 DWLFDVQDORVBLQ-UHFFFAOYSA-N 433.534 2.043 30 10 IEEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1=O 1453768118 CRHFGWPUAZJSDI-QHCPKHFHSA-N 435.459 2.266 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1459403413 ZFMIHIOFBDJKRH-IRXDYDNUSA-N 426.542 2.460 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 1466197879 RRYPRGNIBDZPNO-HNNXBMFYSA-N 431.455 2.306 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1469508813 VORQUTVBMZIJLY-IAGOWNOFSA-N 429.583 2.266 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1470028515 JGDHKUDAFQBFOF-OAHLLOKOSA-N 430.505 2.103 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCOCCN(C)C 1499145352 GEHJPAFRPRSCBJ-UHFFFAOYSA-N 431.972 2.270 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1507564713 VTCLGKHVABTEKR-MOPGFXCFSA-N 435.594 2.183 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1507573233 DCYFCRUOCWRETB-CVDCTZTESA-N 429.565 2.325 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1507581451 VLJHPEPCCRPIPO-YOEHRIQHSA-N 446.437 2.490 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507629753 PHTGTRBRWXQNOZ-SFHVURJKSA-N 437.525 2.024 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507633870 KFXRAGXXRSSYPA-SIKLNZKXSA-N 448.564 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CCOC)CC1 1507664272 JWNZXJHZQQYOLX-UHFFFAOYSA-N 430.516 2.200 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CCCCC2)CC1 1507716108 MIOWBFDXDGYDED-UHFFFAOYSA-N 442.608 2.256 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)CCOC)CC1 1507720328 CJXIWCZJORAUQO-WZONZLPQSA-N 445.539 2.100 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[S@@](=O)C(C)(C)C)CC1 1507730830 WCSCVEPUCLJWQF-WJOKGBTCSA-N 449.571 2.450 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1507968614 VZDBRVYRUQOMOP-RTBURBONSA-N 448.593 2.119 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](COC)C1 1508072686 FLOCVDYCZHATHZ-MRXNPFEDSA-N 429.521 2.127 30 10 IEEE CC(=O)N1CCC(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1508205707 BFFSXXVIJPSTTC-NRFANRHFSA-N 438.532 2.153 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1516831582 NVRQTZMDXWFLII-UHFFFAOYSA-N 447.492 2.380 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(C#N)o1 1517353589 QGFLBUIKNAWLED-UHFFFAOYSA-N 438.513 2.275 30 10 IEEE COCCCOc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1519085967 SUXKDIOOEJOUBN-QFIPXVFZSA-N 448.527 2.456 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)C1 1519373625 KMHGZVIFNDTJSM-NRFANRHFSA-N 435.532 2.425 30 10 IEEE CS(=O)(=O)NCCCn1c(N2CCC(C#N)CC2)nnc1C1(c2ccccc2)CCC1 1519607743 ZQLCPGHXMLCMAF-UHFFFAOYSA-N 442.589 2.427 30 10 IEEE Cc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)ccc1C#N 1531381145 SIINLGYJGHWFKV-UKRRQHHQSA-N 440.422 2.255 30 10 IEEE CCOC(=O)[C@@](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)(C1CC1)C(F)(F)F 1532474582 QBTAKIBFXYVGEL-SFHVURJKSA-N 428.411 2.462 30 10 IEEE COc1ccn2c(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)cnc2c1 1534146887 NXILBIGICPBTSK-PTGBLXJZSA-N 427.486 2.408 30 10 IEEE C#CCN(C(=O)CCN1C(=O)COc2cc(Br)ccc21)C1CCN(C)CC1 1538303351 LUFHIDNAQXPGFX-UHFFFAOYSA-N 434.334 2.121 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1539202397 HUCZKIMXSJQHRY-GOSISDBHSA-N 445.545 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCN(CC)CC1 1539305148 RDHPRQKVRABVFE-UHFFFAOYSA-N 449.559 2.344 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1539722192 AYRUDVDUZUKNJF-QHCPKHFHSA-N 441.532 2.174 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@@H]1C 1540134223 UGCUTJAJVMWOIH-UHOSZYNNSA-N 431.562 2.385 30 10 IEEE CCOC(=O)[C@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1540321492 NSPATPRHPGESPZ-KXSVDRQTSA-N 437.562 2.280 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2ccccc2)C1 1540862129 RPCJONXPZKIQIF-LJQANCHMSA-N 440.548 2.077 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1541116662 SLWBBLFVRUPVOR-HZPDHXFCSA-N 434.541 2.097 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1)N(C)C 1541840076 CFXVCNPKCAYWJR-QGZVFWFLSA-N 436.564 2.151 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1546855527 WPUXXHUGNARZJL-GCJKJVERSA-N 425.537 2.274 30 10 IEEE CCSCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552641303 ZRIUJDFSMCDSKQ-UHOSZYNNSA-N 434.610 2.322 30 10 IEEE CCn1ncc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1Br 1558973347 NYVKFVHGAUMAHR-UHFFFAOYSA-N 443.099 2.462 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1559939325 MZRKRGWJQMNSBN-INIZCTEOSA-N 439.965 2.035 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCc3cc(C#N)ccc3F)nn2)C1 1565317054 IEAMNQLRURTSEP-UHFFFAOYSA-N 429.456 2.080 30 10 IEEE CC(C)CNC1(CO)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585874603 BXIMFKHVDLBTDL-QGZVFWFLSA-N 432.952 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)[C@@H](C)CC 1588099479 OBTWHLULYZVSQY-PXNSSMCTSA-N 428.558 2.483 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)nn(C)c1C 1588310222 UXPBUTTYECTFOU-UHFFFAOYSA-N 440.577 2.096 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCC2=O)CC1 1594824850 ROCNYMUEDBCAHF-UHFFFAOYSA-N 441.580 2.324 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1595282814 KHHWMIXZTQQREE-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595476299 JQDIMGPAZBPYEQ-UWVAXJGDSA-N 443.548 2.326 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595789653 ZDASMVQITHLMTL-OAHLLOKOSA-N 445.467 2.017 30 10 IEEE C#CC[C@@]1(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1596603147 QRNJLVVBPPOFHB-NRFANRHFSA-N 441.594 2.146 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C 1596868540 PTYLUWZQHPJCRI-YYAJDYIMSA-N 431.562 2.500 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2cnnn2C)CCOC1 1610348439 MYABMRDMAXPZSW-JOCHJYFZSA-N 436.520 2.004 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612612204 SJHOQAXAMFKOOQ-MLSMBGFSSA-N 442.907 2.344 30 10 IEEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1617071395 DBNZOIWCIWRDSU-UHFFFAOYSA-N 436.497 2.235 30 10 IEEE CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC2(CC1)OCCO2 1617179731 BZQROCJAPHOSPA-UHFFFAOYSA-N 447.557 2.151 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2(C)C)CCO1 1618689424 KJWDJKAXKPLFES-QZTJIDSGSA-N 440.573 2.300 30 10 IEEE C=CCNc1ncc(C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)s1 1628968678 RQTULLPDACCZCF-UHFFFAOYSA-N 427.530 2.041 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(OCC)cc1 1632228956 XACHIQKWIUBWCG-SFHVURJKSA-N 432.542 2.404 30 10 IEEE CC#CCNC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1633029800 QLBGLJJURYZMLO-UHFFFAOYSA-N 444.273 2.102 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 1634109279 YSGAQHHRRUBQDO-FHWLQOOXSA-N 425.489 2.400 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(C)(F)F)CC1 1636177460 LZUPWWPNOXQCFX-MRXNPFEDSA-N 442.532 2.083 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@H](C(F)(F)F)O1 1637260126 XTRDNTRDPNDURI-UHOFOFEASA-N 438.406 2.332 30 10 IEEE C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1645716357 PKAGSBMAMNGYLQ-IBGZPJMESA-N 431.290 2.207 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(F)F)CC1 1648600416 OLHGMMYWEGBLGY-LSDHHAIUSA-N 429.489 2.167 30 10 IEEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1F 1681665804 XZXHLBMGVJCCCT-VIFPVBQESA-N 436.241 2.050 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 1683051327 JDMVMOBKTDOXKY-GUDVDZBRSA-N 432.565 2.193 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCn3c(C(F)(F)F)nc(Br)c3C2)C1 1687594885 NJFCMBGPJSKCGW-NSHDSACASA-N 434.260 2.287 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(S(=O)(=O)NC)c1 1689839364 GGKGWDRUTTZVEK-AWEZNQCLSA-N 444.948 2.408 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689987657 ADFKUUJYZQUODP-IBGZPJMESA-N 430.578 2.276 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCNC(=O)c1ccccc1F 1690049775 GUTDSPULXGXKKC-UHFFFAOYSA-N 430.487 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccs2)CC1 1690113970 ZBPBSVKPZCMPFA-UHFFFAOYSA-N 432.351 2.296 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1690697479 WEFHYPOTJARVQD-BRWVUGGUSA-N 448.568 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C2[C@@H]3CCC[C@@H]23)nnc1[C@]1(OC(C)C)CCOC1 1690731178 BTZLDFMLDYERGQ-LZJOCLMNSA-N 438.594 2.154 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncnn1C(C)(C)C 1705544180 GWFMKALIMHJATQ-UHFFFAOYSA-N 439.520 2.435 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760879 VCAVBASLVJEPIQ-LEWJYISDSA-N 439.988 2.372 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1705861392 DRKCJYKNRVJGSK-RBUKOAKNSA-N 443.573 2.389 30 10 IEEE C=CCNC(=O)Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909496 ZECWJHZTBMITCX-DYESRHJHSA-N 437.610 2.199 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)C 1705910794 NGZNDRCDBKGFMJ-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE Cc1nnc(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)s1 1707845229 MCYHGRZWJLUXND-ZDUSSCGKSA-N 425.522 2.314 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1708607139 WCHNNNDLRVADKC-ICSRJNTNSA-N 438.580 2.106 30 10 IEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](F)COC)cc1OC 1709859706 JXESSSUIDMDEMI-IAGOWNOFSA-N 433.484 2.456 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1710864555 YVAMJXLXLMFFFD-OAHLLOKOSA-N 428.518 2.036 30 10 IEEE CN(C)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1710998810 ARKBJUNHOZJOOO-GOSISDBHSA-N 425.493 2.456 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1712810508 DYBFENCOUWBWTH-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCc1nccc(C(F)(F)F)n1 1722371120 SROANCHQMHUSFG-UHFFFAOYSA-N 447.465 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCC(F)(F)F 1722398834 JTWRZWJXWYTQDZ-UHFFFAOYSA-N 442.445 2.492 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722525370 DNVADSYIWIBQQP-JOCHJYFZSA-N 431.544 2.189 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1722581516 DHJSZRDNRYFYFC-OLZOCXBDSA-N 439.504 2.258 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCCC2=O)c1 1722677494 HFSPRHNDFWBCTO-UHFFFAOYSA-N 435.532 2.493 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@@H]1OC 1722680963 DWPKHKKSLQPYFN-YYWHXJBOSA-N 444.532 2.481 30 10 IEEE CC(C)(C)OCc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)no1 1723010896 GVQNLNDIZGHJDX-KRWDZBQOSA-N 449.515 2.480 30 10 IEEE CC[C@@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1727283916 LIIKLUIEOZRLJT-YVSFHVDLSA-N 434.541 2.203 30 10 IEEE CCOC(C)(C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1728733148 BJGFXCMHPGWMQP-WMZHIEFXSA-N 446.596 2.310 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCN2CCCO)CCO1 1731186617 FKAVYIUUDKMCGK-FCHUYYIVSA-N 438.576 2.029 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)Cc1ccccc1 1740612084 DNOFKBMPDDNVOI-UHFFFAOYSA-N 448.552 2.201 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740615884 MZXMLCDQOMPKGQ-QGZVFWFLSA-N 446.573 2.290 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nc3c(s2)C[C@H](C)CC3)CC1 1740705129 BJWWJAJIDJPHGP-OAHLLOKOSA-N 426.590 2.436 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740746282 HQKOPEKQELZPJP-KRWDZBQOSA-N 444.337 2.274 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1740959363 SPQXFTRYYICCLU-AWEZNQCLSA-N 439.545 2.228 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1741003788 FHTRQPUOWBMGED-IBGZPJMESA-N 442.589 2.011 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1741006713 PHSDCHBAIRTGPX-OEMYIYORSA-N 438.594 2.306 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1741114397 VXRJLDYBNBFGAU-NRFANRHFSA-N 449.559 2.086 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2c(F)cccc2F)CC1 1748979031 TVQOJXMXRLDUQH-HSZRJFAPSA-N 445.514 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2sc(C)nc2C)CC1 1749010875 RMJQEVSSMCTZQX-UHFFFAOYSA-N 437.573 2.371 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCOc2ccc(OC)cc2)CC1 1749015734 LNMHHSLQXWBWCI-UHFFFAOYSA-N 437.544 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@@H](C)C2)CC1 1749020082 KOVJDYHMXYRBDY-ZFMNYDKASA-N 443.592 2.404 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1749449925 YRFYFPBTLXGLMC-MRXNPFEDSA-N 443.504 2.196 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 1749670566 TYDPFGOESDWNIN-QGZVFWFLSA-N 430.553 2.461 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749690070 MQTIGDLSNKFQJS-WOJBJXKFSA-N 449.511 2.313 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1750388134 KNQSTQVNXUKBPJ-LSDHHAIUSA-N 446.449 2.223 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H](C)C1 1760101757 AQNNWAMRNAFPIE-KSZLIROESA-N 445.589 2.468 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1760183574 RZKQJPCNMBFIEZ-GOSISDBHSA-N 446.573 2.484 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1760250405 ZDFXWJQGCQATHJ-FQEVSTJZSA-N 425.533 2.008 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)NC(C)(C)C 1760277522 NHYIMLAILUJSRX-UHFFFAOYSA-N 429.546 2.391 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1760386535 BDCZHJBPVRBPOT-NRFANRHFSA-N 443.939 2.276 30 10 IEEE CC(C)(C)[C@@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1760716705 VXKLYBLSZZPJII-QVKFZJNVSA-N 447.561 2.335 30 10 IEEE Cc1nccnc1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1762375334 FWFDMKZXILERLW-UHFFFAOYSA-N 430.516 2.250 30 10 IEEE CO[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1769670333 QPTRRQQBSPQCRI-FQEVSTJZSA-N 433.516 2.470 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1769996012 VAMRDYDHWJROFF-IERDGZPVSA-N 440.483 2.073 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(C)c1 1771305144 ULPWEFIXKSOHOB-SXLOBPIMSA-N 427.505 2.118 30 10 IEEE COc1ccc(-n2cc(CN3CCN(CC(=O)c4ccc(C#N)cc4)CC3)nn2)cc1F 1850856328 SYXXUNKPNQMBHF-UHFFFAOYSA-N 434.475 2.287 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1ccccc1C(=O)N1CCN(C)CC1 1851632485 HJUWAZJRVDJDRK-HNNXBMFYSA-N 440.935 2.322 30 10 IEEE Cc1ccc(N(C(=O)[C@H]2CCN(C)C2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1852669341 QRNILKRKODUVSM-KRWDZBQOSA-N 429.546 2.285 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1862630321 QYJSHIQPSXPYRH-SFHVURJKSA-N 426.381 2.284 30 10 IEEE CCN(CCc1ccncc1)C(=O)[C@@H](CCSC)N=C1NS(=O)(=O)c2ccccc21 1869929702 KIMBYINJEVHPDR-GOSISDBHSA-N 446.598 2.333 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN1CCN(C)CC1 1870714027 VHBDDTIUPULACD-UHFFFAOYSA-N 430.936 2.453 30 10 IEEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCC3(CC2)OCCO3)nc1C(F)(F)F 1872800842 WUMGWOQDNHQAIJ-NSHDSACASA-N 447.435 2.354 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3c(C)cccc3C)CC2)CC1 1890199534 GQFUPMMZUQLYSN-UHFFFAOYSA-N 427.589 2.331 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 1901227208 OHHDPNDPEHSSPI-CYBMUJFWSA-N 427.738 2.332 30 10 IEEE CC(C)(C)OC(=O)NCC(C)(C)[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1990493288 ADUVKUKXQJFATR-HOTGVXAUSA-N 425.574 2.309 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)C1 2023456985 QNYSZYPMUGVJGM-UHFFFAOYSA-N 439.553 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NCc3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2057952818 JCSZNSBQNXWGGL-HFTRVMKXSA-N 434.342 2.303 30 10 IEEE Cc1cnc(O[C@H]2CN(C)C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224123889 JYJYSEHDDMEYEV-SJORKVTESA-N 433.358 2.275 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102871 PSVWTNQYSRURSQ-HOTGVXAUSA-N 425.323 2.385 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387491 VEYWJLUNPXHPDU-LBPRGKRZSA-N 425.360 2.333 30 10 IEEE C=C(CS(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)B1OC(C)(C)C(C)(C)O1 2243416492 KFDVCNZMNNWGJZ-HNNXBMFYSA-N 430.376 2.397 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 2247566962 LXQBVUGTDZTTKU-RKRRMPDFSA-N 427.545 2.310 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247833390 FSXQCZYYDMZMQW-QWHCGFSZSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2247845853 WPMRGZBTQLVHQO-KBPBESRZSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2247920631 AQYVWBQMCYDMBX-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255639853 QWQVHYNXDAERGM-CHWSQXEVSA-N 449.382 2.380 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255706820 OMUGZUGUBXTVEX-NEPJUHHUSA-N 430.232 2.250 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2255821182 BPGGTAQBTVNVNB-KIFPSNHUSA-N 438.330 2.328 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC 2255837010 IJBJJSBPZWSKJN-CQSZACIVSA-N 436.362 2.235 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@@H]1NC(=O)OC(C)(C)C 2255873881 PAAQPRIZQXYWRY-ZBFHGGJFSA-N 433.358 2.310 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266991188 CNFPLKLEYHVYGH-CMJOXMDJSA-N 443.353 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 2267092229 MSHVGZIQLZTAKF-HOTGVXAUSA-N 446.357 2.227 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267130123 KHDDRDDNMJQKKI-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267162126 LJTKEXYZRAKKDD-GOEBONIOSA-N 446.357 2.199 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)[C@H]4C3)nc2)OC1(C)C 2267173146 HOEJTHYUECUTQZ-ICSRJNTNSA-N 434.349 2.122 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267176524 AVFTZDDGAMVLTL-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267491992 MGJAZOQLJGWLNN-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)c1B1OC(C)(C)C(C)(C)O1 2267492064 MWRVUPIDRQOZMD-INIZCTEOSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2267522230 VQCCNPLYQQNFQK-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267523034 WXZRBCLUHVXDKV-CAJLXGCNSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267524975 XTDZKCMKUSUVCH-IJEWVQPXSA-N 446.357 2.084 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2267596466 JRHPTWSVWXXWOS-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)O1 2268638708 VFLMOVMKRCNLED-HOTGVXAUSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@@H](N)C#Cc2cccc(Br)c2)C1 2278729363 CBUKRIDCYPLBDC-ULQDDVLXSA-N 425.323 2.125 30 10 IEEE C[C@H](CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[S@@](C)=O 2282840811 JJJSLEMYTJXDNN-REFGNXHDSA-N 441.833 2.136 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2300305223 TUDFSFAQBFELMI-IAGOWNOFSA-N 425.363 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2300342189 QUECWWRSPFRVMO-GFCCVEGCSA-N 439.343 2.113 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2337195339 XJVZPWUQVILYJX-CABCVRRESA-N 448.373 2.143 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2352398646 VVGDCIIZSVIRBC-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE C[C@@H](Oc1cccc(C#N)c1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 109945524 JJWFBUDVJUCQJH-MRXNPFEDSA-N 426.904 2.444 30 10 IEEE C=CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169902925 HXFLLXLKNLIKJL-OAQYLSRUSA-N 447.491 2.361 30 10 IEEE CCCc1c(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)cnn1-c1cccc(C#N)c1 439674313 PEXJPWYUSRTXKX-UHFFFAOYSA-N 446.515 2.144 30 10 IEEE N#CC1(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCOCC1 470369427 MVHWTTOXSISJIK-UHFFFAOYSA-N 426.300 2.363 30 10 IEEE C[C@]1(c2ccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc2)NC(=O)NC1=O 480559519 UWXAXWDAQABRGG-HNAYVOBHSA-N 427.258 2.498 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCOc3ccc(F)cc3F)C2=O)cc1 504947849 FMGSRAZFZSHBHT-QGZVFWFLSA-N 428.395 2.237 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)(C#N)CC3)CC2)cc1 507824513 JJTUMFMILCXEAA-UHFFFAOYSA-N 447.557 2.416 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCCN1CCOCC1 515429523 YIBNIXFQEVDNKV-UHFFFAOYSA-N 440.338 2.327 30 10 IEEE C=CCn1c(Cc2noc([C@@H](C)Cn3ncc4ccccc43)n2)nnc1N1CCOCC1 519563548 CBDHDOVBEAWQQU-INIZCTEOSA-N 434.504 2.428 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccn2)c1=O 522380112 KCECNPRRTKJDMW-UHFFFAOYSA-N 445.544 2.428 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](O)(C(F)(F)F)C3)n2C[C@@H]2CCCO2)cc1 559101898 NXWOQXSSBJAGEN-LPHOPBHVSA-N 437.422 2.411 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1F 559316650 KJWWOWUHKDTCEN-OAHLLOKOSA-N 435.452 2.224 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 577544991 OZIQPKRXQQPRHH-NVXWUHKLSA-N 428.493 2.407 30 10 IEEE C#CCn1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c2ccccc2c1=O 585170396 BWNWKXRRXLILSI-HNNXBMFYSA-N 434.883 2.352 30 10 IEEE Cc1ccc(S(=O)(=O)N2CC#CCN(S(=O)(=O)c3ccc(C)cc3)CCC2)cc1 616580934 MHCQOLBSDDIBOW-UHFFFAOYSA-N 432.567 2.392 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726585914 BKILMTVFMAWCCX-UHFFFAOYSA-N 445.523 2.483 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCN1CCOC1=O 728276450 JPNYFJOVPUCBGK-UHFFFAOYSA-N 426.267 2.057 30 10 IEEE CCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(CC)c2)c1=O 732562479 CGBWWFGCXCKDKE-UHFFFAOYSA-N 436.537 2.321 30 10 IEEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)C1 740691830 XYYSCZQKYIGRLH-HXUWFJFHSA-N 443.467 2.006 30 10 IEEE Cc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1I 746095827 DLOIIVVVVFVEDZ-NXVVXOECSA-N 425.226 2.455 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 749531294 VBIBHAPDTQFMDK-FQEVSTJZSA-N 446.507 2.468 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCOC2)cc1 752845757 PPNXHGKEGYFGCI-FPOVZHCZSA-N 436.560 2.285 30 10 IEEE COc1ccc(S(=O)(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(NS(=O)(=O)C(F)F)c1 753954167 PYOOWQLIJTZBRS-BDJLRTHQSA-N 437.490 2.410 30 10 IEEE C[C@H](C#N)CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C1CC1 754370053 AZAYFODTWQNZPR-MRXNPFEDSA-N 431.562 2.500 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)CC(=O)O 757378337 FATSEVVQGRVMHK-YCRPNKLZSA-N 438.480 2.422 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(F)ccc2Br)c(=O)n1C[C@@H]1CCCO1 761282169 MFEXNTHXUUYJOU-AWEZNQCLSA-N 434.290 2.017 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCOC[C@H]1C[C@H](O)c1ccco1 763436218 JHGPGOBPQPVYGV-QUCCMNQESA-N 444.532 2.369 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCCn3cc(Br)ccc3=O)cc2C1=O 776149008 BODWLLPBRQEVTQ-UHFFFAOYSA-N 431.242 2.250 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccc(F)cc1F 790354023 BKGUWJFQXQSYRJ-UHFFFAOYSA-N 431.427 2.390 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 790857674 WBJURABOORZSGP-UHFFFAOYSA-N 429.267 2.444 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)nc1 796608607 NISCRGNTXSWFIY-UHFFFAOYSA-N 430.486 2.489 30 10 IEEE Cc1ccccc1[C@@H](O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 804510908 HSLYTOIAXHYQNG-QFIPXVFZSA-N 441.553 2.396 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 809896241 ISIGNAAAYZYFEF-HOTGVXAUSA-N 444.540 2.243 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1cncn1C 809939363 OZOCFWTYOHOXCZ-IBGZPJMESA-N 442.589 2.318 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)OCc2cccnc2C#N)C1=O 813165311 ZVTZFSMBJSATDA-IBGZPJMESA-N 443.257 2.226 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(O)C2=O)ccc1Cl 816692564 QONOIMZXHYBNQB-KRWDZBQOSA-N 449.916 2.441 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)C2)n1 856675908 DIODZJSMZABYFN-MWTRTKDXSA-N 432.484 2.239 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)cc1OC 1084216900 PUFODBGIPKWRHB-UHFFFAOYSA-N 441.517 2.114 30 10 IEEE CC(C)(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)c1ccc(C#N)cc1 1125031463 ANDGFHGODTWGPY-UHFFFAOYSA-N 433.468 2.355 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1137551305 DUMJFAPGTSHOND-KNQAVFIVSA-N 441.425 2.392 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2CN2CCCC2=O)c1 1141445983 YLBRFERWCBOXSF-UHFFFAOYSA-N 429.473 2.175 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1141462955 ADRUNQXEBYYBIO-SNVBAGLBSA-N 448.199 2.159 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1149177533 WZARLVOIALRRLS-QGZVFWFLSA-N 431.514 2.069 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1151411723 HZSQSABTBLHXAB-ZHRRBRCNSA-N 430.505 2.312 30 10 IEEE COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)Cn2cnc(C#N)n2)cc1 1166012831 MYXITAQKXAPHFC-ROUUACIJSA-N 440.504 2.068 30 10 IEEE CC[C@@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCOC1 1197256422 QKMNPLYUWGUNMF-IAGOWNOFSA-N 427.505 2.250 30 10 IEEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CCCOC1 1264034280 CDZNVCOZZFZGOG-KRWDZBQOSA-N 432.329 2.147 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1286289629 MHFVSIOMMFBYSN-QGZVFWFLSA-N 449.559 2.439 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286385574 XWLXWFITGKHCSF-GOSISDBHSA-N 432.546 2.059 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286385682 YTAXQGRIVRFYHN-GOSISDBHSA-N 446.573 2.253 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1286399261 CLLVBABWFNQVGJ-QGZVFWFLSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1C[C@H](F)C1 1286401002 HWJKCTWXTHRIMX-UAPYVXQJSA-N 443.548 2.406 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1286448516 WZUNMDMBBUOZEQ-MSOLQXFVSA-N 433.553 2.473 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1286450448 GQIUSMYTPWKADA-FCQUAONHSA-N 448.527 2.460 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC[C@@H]2CO)CC1 1286476266 SFHMUOWMLJFGHT-JOCHJYFZSA-N 436.604 2.246 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C/C=C\c2ccccc2)CC1 1286493381 GTEISLXTGXEAMT-POHAHGRESA-N 446.555 2.080 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)C)CC1 1286550453 CRNALYGJGWPNMI-AQNXPRMDSA-N 449.596 2.288 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)(F)F 1286764246 KAGJWYMQOQCUBF-CQSZACIVSA-N 427.427 2.289 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1286769467 XPSXMITWJIKJJB-UHFFFAOYSA-N 428.537 2.381 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1286790892 KQWZESPPLGZMHJ-UHFFFAOYSA-N 429.540 2.492 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OC)C1 1286793909 PPQFNIGVDULSOQ-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cccn2)C1 1286799635 YAUGPLJCKVPRSM-IBGZPJMESA-N 435.532 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286816987 JTUFAMXBUJIGRM-MRXNPFEDSA-N 425.599 2.133 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286829495 YOCVGXVVGKUWTI-QGZVFWFLSA-N 429.594 2.344 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1286967627 FTLPZCNRLSVOCJ-UKRRQHHQSA-N 439.488 2.426 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1287044012 FNZKIOINESOFIJ-SJORKVTESA-N 438.488 2.236 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1ccco1)N1CCCC1 1288099484 CQQDCBUYVQPUHX-HRAATJIYSA-N 429.500 2.288 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1288525883 RDDNYWRMTWXZRY-RDJZCZTQSA-N 444.540 2.107 30 10 IEEE Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1289761652 AJCIXDSJNHDAON-LZJOCLMNSA-N 447.536 2.398 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CCN1CCOC 1293539817 AOQHXLOCVMGIAV-NRFANRHFSA-N 448.575 2.454 30 10 IEEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1294658280 OKOMYIKVUWYJIU-SIKLNZKXSA-N 448.637 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(C)(=O)=O 1300290139 MBJBELKOFLLBAN-LBPRGKRZSA-N 441.351 2.219 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300409703 JSQGVDOMWNVTEB-QFBILLFUSA-N 425.489 2.481 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)NCC#C)CC1 1300423073 HCJNBLKDPUBFSD-UHFFFAOYSA-N 435.528 2.245 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300485001 SVILMOKFSNXUJL-MSOLQXFVSA-N 438.594 2.004 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300487050 DZDGRMVNDKAMDZ-IIBYNOLFSA-N 434.537 2.262 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300501578 MHFJDMJBLQOPRO-UXHICEINSA-N 428.558 2.245 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1300618855 NOAQFQBWUWTXRD-UHFFFAOYSA-N 430.516 2.225 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCCO[C@H](C)C2)CC1 1300690655 PGSQUFNXXQDFDA-HXUWFJFHSA-N 426.565 2.103 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@](C)(CC)C1 1300746121 PGJUEPBRKRITHA-OAQYLSRUSA-N 438.561 2.293 30 10 IEEE C#CCSCCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300778319 SEQPXZDJABFRSJ-PGRDOPGGSA-N 444.605 2.413 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1301069356 CUMHAVGZJUMPHC-JOCHJYFZSA-N 426.521 2.017 30 10 IEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301445524 BMGRDSPWTSEQSY-IAGOWNOFSA-N 430.505 2.289 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N(C)C 1301970137 DNLXMWIFPYMLRI-LEWJYISDSA-N 438.624 2.189 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)O 1302081581 NHODMVPFXHCFPQ-MRXNPFEDSA-N 446.527 2.110 30 10 IEEE COc1cc(-c2noc(CCC(=O)N3CCN(CCC#N)CC3)n2)cc(Cl)c1OC 1302596116 FDNJQPXOAFODBJ-UHFFFAOYSA-N 433.896 2.398 30 10 IEEE Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)o1 1304314500 SABMQPSBLNEQOE-UHFFFAOYSA-N 444.517 2.220 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 1309424813 AWNLFUZNWNNGPD-JTQLQIEISA-N 440.241 2.010 30 10 IEEE CCOCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1314454341 GJZIKOCHPWWKSM-PKOBYXMFSA-N 440.552 2.323 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1314553259 TYOWINGBKIBWHU-CALCHBBNSA-N 446.577 2.150 30 10 IEEE CO[C@@H](CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1315186281 VEYZGQMBGMFMCB-ROUUACIJSA-N 449.481 2.408 30 10 IEEE N#Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3I)CC2)co1 1358167629 FFFSSDZMYMCCIP-UHFFFAOYSA-N 435.221 2.354 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1358930293 RSFDTCPPQYEDAL-IOJLRTSASA-N 433.622 2.294 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(=O)NCC)CCC1 1358937788 HRTZLUDTXGREQB-UHFFFAOYSA-N 442.951 2.237 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)c1ccco1 1358951821 NBQQZOAHHZSXJP-VWLOTQADSA-N 448.571 2.213 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1ccco1 1358987931 XLGDIDJBNMRKCL-UHFFFAOYSA-N 432.440 2.339 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nnc(C)s2)CC1 1359038458 XDTPEXTXWPKGEH-UHFFFAOYSA-N 437.573 2.437 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1359056807 LYASMZZIHBWYRK-GOSISDBHSA-N 427.574 2.484 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359059340 KBCNQOZYYQCWEK-KRWDZBQOSA-N 427.574 2.105 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccccc1F 1359244301 YDDGEIOHJFQSPM-UHFFFAOYSA-N 442.520 2.461 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1359289170 HCUGLXSTVHUCQO-UHFFFAOYSA-N 428.924 2.202 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCOCC1 1359508124 OEGFJCHYISBKFG-UHFFFAOYSA-N 426.521 2.042 30 10 IEEE CC(C)[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1437146051 HUCQITLTZDAZQE-ZWKOTPCHSA-N 442.516 2.493 30 10 IEEE Cn1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c(I)n1 1438365034 MGZQTXHFSFYKLL-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE COc1c(F)cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c1F 1449835752 BJZYZIFFNOXSGL-SNVBAGLBSA-N 425.413 2.159 30 10 IEEE COc1cc(CN(C)C)ccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1451085142 BXICCBUDRIDQKK-CQSZACIVSA-N 430.530 2.213 30 10 IEEE COC(=O)[C@@H](C)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1451386967 RWFQLRRFYPLADR-AWEZNQCLSA-N 429.498 2.421 30 10 IEEE Cc1nc2c(CCNC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cccc2o1 1455538073 DKALBDSUIDJXPF-ZDUSSCGKSA-N 426.498 2.312 30 10 IEEE COC(=O)CSCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1464930128 XKEOQFCLQYFJIQ-GOSISDBHSA-N 433.530 2.415 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)s1 1465079654 IICMIMCBWJFOSY-SFHVURJKSA-N 447.582 2.409 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC)C1CCOCC1 1470868388 YOWWTBABXFIXDM-KSSFIOAISA-N 439.350 2.336 30 10 IEEE C#CCN1CCC(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1471938294 IOKCBJQZMWCPHG-NRFANRHFSA-N 428.577 2.226 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)cc21 1472162226 FIKCLXVXADDRBK-SFHVURJKSA-N 431.452 2.091 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 1475797337 JKTTWNIWLQMZJQ-PIIMJCKOSA-N 435.546 2.088 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)NCc1ccc(C#N)cn1 1478763193 BCTNPJPMRBCCEV-CQSZACIVSA-N 433.306 2.375 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCN(CC(F)(F)F)CC1 1492831034 RISHDRDZZGKSNQ-UHFFFAOYSA-N 435.454 2.396 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 1503377351 MYBCJYHLEBUTII-KESTWPANSA-N 439.539 2.165 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507630729 GNMFRTHWBGHMIK-LJQANCHMSA-N 444.605 2.022 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](COC)OC)CC1 1507720271 CGUACTFGUFQQQJ-PXNSSMCTSA-N 447.967 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C)cc2C)CC1 1507738048 INKUOXSBHXOVSJ-NRFANRHFSA-N 448.571 2.055 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507849077 UOOMHXNCFHCTQH-LJQANCHMSA-N 440.548 2.280 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCCO)CC1 1508087001 QEKIAEOLWKPMHD-UHFFFAOYSA-N 433.503 2.438 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCCN(C(C)=O)CC2)cc1 1508100065 CAEIZCLUZJGAKH-HXUWFJFHSA-N 425.533 2.454 30 10 IEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1508153288 XKJACWJOGRWBCU-UHFFFAOYSA-N 439.383 2.244 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1508221531 QIYLOPLDPOBHHA-NRFANRHFSA-N 438.532 2.071 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)CCOC1 1509816467 NFJNHSRIXUADNR-YCRNBWNJSA-N 446.596 2.168 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1516129407 HIYSIMRSSDJCHN-VGSWGCGISA-N 432.569 2.175 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1520660401 URZYHKXWEZLBTC-YVWKXTFCSA-N 438.532 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](C#N)C1 1534303723 AYDQKHNSJMWPOE-UKRRQHHQSA-N 434.443 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCN(C(C)=O)CC1 1539251830 RNZMILMXTDJDBK-UHFFFAOYSA-N 435.528 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H](C(CC)CC)N1CCOCC1 1539264146 WQISUXAFRTWVBJ-FCHUYYIVSA-N 427.593 2.382 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(CCOC)c1 1539347480 VBVUMFDVKLKBQL-UHFFFAOYSA-N 432.326 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](COC)OC)CC1 1539469731 FJHYTHMOWVHGLC-LJQANCHMSA-N 445.951 2.226 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1539631523 LSURCNNDMVPJFU-XSLAGTTESA-N 438.594 2.165 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540194016 GOGTYTAIGFKVIH-GOSISDBHSA-N 433.578 2.174 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1cccs1 1540897903 VHWZXXZYMPYEGK-AWEZNQCLSA-N 425.580 2.276 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1541976329 LAVQPJMQHRZWQF-OXTHUFEASA-N 444.923 2.279 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1548276543 XXNSBGCXTWUKEP-SFHVURJKSA-N 426.521 2.260 30 10 IEEE C[C@]1(C2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)COC(=O)N1 1565005175 MKJKAQNFBCFSGQ-HSZRJFAPSA-N 425.533 2.443 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1587631744 FQGZICLDXWXWHQ-GGAORHGYSA-N 436.604 2.448 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1587759297 RUXJPEDPJIKAPZ-OAQYLSRUSA-N 448.571 2.232 30 10 IEEE C#CCCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1587793526 PHXGJHOZPLGSRW-PKTZIBPZSA-N 431.581 2.035 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(C)CN(C)C1=O 1587932712 ZMKGYDVJEXAYFN-LJQANCHMSA-N 432.322 2.264 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588054283 MYVIZGOMEORZGG-QUCCMNQESA-N 433.622 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(CCC)CC2)CC1 1588914189 ZUAFJFRTFHQWOC-UHFFFAOYSA-N 437.592 2.361 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589097471 PZEIKYJGIULPNI-IBGZPJMESA-N 436.628 2.312 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1589664058 TWQJLXCXGDNPRA-IBGZPJMESA-N 445.589 2.185 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1595062094 HVSAKWYFICISMV-INIZCTEOSA-N 433.553 2.444 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595460922 IJNNUPCABDSUMV-KZNAEPCWSA-N 439.626 2.491 30 10 IEEE CCn1c(CCC(=O)N[C@@H](C#N)C2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 1596434195 KIVZSGZMQQOYJP-SFHVURJKSA-N 431.562 2.438 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@H]1CCOC1 1603553362 CEUOJDMNEYAFCB-QGZVFWFLSA-N 440.548 2.455 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCn1cc(CO)nn1 1606701381 MTAYZEORSMZSSU-CTNGQTDRSA-N 434.548 2.394 30 10 IEEE Cc1oc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)N1CCCC1 1611500395 QJDRCGBDTLUYCT-LJQANCHMSA-N 429.498 2.458 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(=O)(=O)CC 1613108010 FDORASLJVOOGNA-IIBYNOLFSA-N 433.578 2.485 30 10 IEEE CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1616390683 BHRMUSDZGAKXSO-IBGZPJMESA-N 434.500 2.448 30 10 IEEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619836541 ZVUVCXVPPRGROV-IRLDBZIGSA-N 448.575 2.390 30 10 IEEE CCN1CCN(CC(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1626697796 FVEPKDIYLKSKCX-SZTYLXMGSA-N 447.624 2.306 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1627906113 NIWICLRGWGBWQT-FQEVSTJZSA-N 442.365 2.148 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)cc1 1628276241 YWPXNGNYADUEJC-UHFFFAOYSA-N 449.573 2.365 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)s1 1628758585 GADWZSRGAXLKLK-PXNSSMCTSA-N 438.546 2.082 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 1630569362 IWFQECHPINQYBO-INIZCTEOSA-N 437.338 2.492 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cc[nH]n1 1631688705 KFUVZCKEQDIJNI-UHFFFAOYSA-N 440.435 2.146 30 10 IEEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)C(=O)OC(C)(C)C 1632010869 YOSVKJPRXYAQQB-UHFFFAOYSA-N 437.562 2.107 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1632610636 CXSDGKPKEPKLGZ-KHOFPDMRSA-N 425.485 2.068 30 10 IEEE C[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[C@H]1N1CCN(C)CC1 1636325418 GTOIAZKOOABMJO-HNAYVOBHSA-N 435.366 2.184 30 10 IEEE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)cc1 1636354523 ZLIJRQVBPKQNQC-ROUUACIJSA-N 435.532 2.103 30 10 IEEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCOCC1 1637326636 HHLFGWBSHRDXKQ-UHFFFAOYSA-N 443.928 2.316 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 1639000028 OICIFMFVPCZKOI-QGZVFWFLSA-N 433.551 2.384 30 10 IEEE C[C@H](C(=O)OC(C)(C)C)N(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1642978818 VWAVHHDQEWTJRK-KDOFPFPSSA-N 440.500 2.484 30 10 IEEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1643071492 GGEPRYUUOYKLNZ-UHFFFAOYSA-N 448.508 2.336 30 10 IEEE Cc1nc(C#N)n(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1C 1644122886 PQWVFWYGCVNTHL-UHFFFAOYSA-N 427.530 2.136 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC2(CCS(=O)(=O)CC2)C1 1648631634 OVEXPITWTMSBBB-MRXNPFEDSA-N 437.587 2.299 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(NCCN2CCOCC2)c(F)c1)C(=O)OCC 1648780369 YBIOOYBBXXXTLN-GOSISDBHSA-N 427.904 2.374 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1672902766 NGTQKCRKRSZVMG-MJGOQNOKSA-N 443.935 2.451 30 10 IEEE C=CCC[C@H](NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1ccc(C(F)(F)F)cc1 1679303664 AWIXRDPWGVIWKU-CVEARBPZSA-N 432.468 2.257 30 10 IEEE C#C[C@H](NC(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1)c1ccc(Br)cc1 1682357172 UNUUCEFPWFEAQP-HNNXBMFYSA-N 440.305 2.341 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1689993395 CKVMGBPOOVUJOX-GOSISDBHSA-N 433.603 2.032 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccc(F)cc1 1690092213 ACUYDGCANPYMPB-KRWDZBQOSA-N 429.496 2.207 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN(C(C)=O)C1 1690098762 UOMFOHHONRXZDG-SFHVURJKSA-N 439.516 2.018 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)O)CC1 1690150607 NVBWYJBOTXOBOJ-UHFFFAOYSA-N 434.544 2.087 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCCOC)CC1 1690364298 NIDUIXLUUAMEPO-KRWDZBQOSA-N 449.577 2.118 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690594766 FMLVYQIVSKPJQN-GOSISDBHSA-N 431.562 2.241 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690651234 CSYCSNKZJQQZPT-KRWDZBQOSA-N 430.528 2.219 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C 1690672403 QOGUWPRHMISCRZ-KRWDZBQOSA-N 440.529 2.494 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691477215 KHQAHNZTYRIHAJ-OAQYLSRUSA-N 446.559 2.156 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1697023278 OVHIVXAQJDKRJT-UHFFFAOYSA-N 441.344 2.265 30 10 IEEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1697779973 ZHTPUOKRYQWMHL-RTBURBONSA-N 425.468 2.113 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccc(C(F)F)n1 1705485123 DRLLWZBJRBEIBA-CYBMUJFWSA-N 436.430 2.155 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705520641 APOHKBRDHSWRRD-UYAOXDASSA-N 426.517 2.329 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1705585204 NYVQBUSNIGKZPZ-UHFFFAOYSA-N 444.539 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCn1cc(CO)nn1 1705591756 WUCXDBVHWFBJFL-UHFFFAOYSA-N 429.484 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cccn2)cc1 1705630268 MHDBWWLUBXPKES-UHFFFAOYSA-N 444.543 2.460 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705689231 GGCXMOJRXIMOHQ-CYBMUJFWSA-N 428.356 2.042 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1705923983 RNMDHMAVVDTDRM-GOSISDBHSA-N 433.578 2.214 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC)C1 1705925282 NFTOJQNCVGEWBH-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1705943951 OWHSBYBMCLFMHX-QGZVFWFLSA-N 442.589 2.484 30 10 IEEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1709577900 ZJCCTUAAHMPKSC-IBGZPJMESA-N 446.577 2.309 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1 1711055410 YHYJTNHDGWGDDR-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1711288464 DNFRTVYIBIWKDB-KRWDZBQOSA-N 433.520 2.059 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1711793653 DXAJDIZUTMAYRZ-PKOBYXMFSA-N 445.589 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C(N)=O)nc1 1722289989 ULXNYQCJNSBUFQ-INIZCTEOSA-N 426.484 2.131 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722337502 BWFFDKNTRXQJFX-UHFFFAOYSA-N 445.589 2.405 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1722365233 CSIOEYARONSVKM-GCJKJVERSA-N 446.573 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CCCC1 1722425191 QERNBVLJXCJCBS-UHFFFAOYSA-N 431.562 2.092 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CCOC 1722471073 QMNSFQDPHQAJRE-PKTZIBPZSA-N 426.517 2.496 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOCC)CC1 1722484845 XDBSRYHGGNJDRP-MRXNPFEDSA-N 428.375 2.239 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1722631033 AUKIJFLVZLYRFV-LLVKDONJSA-N 448.380 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C#N)c1 1722729450 KXBASUSSUBCXHJ-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722851059 MWLQBWBRQSIOFK-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCC(CC#N)CC2)c1=O 1728539650 LYEZYNMAPWVICZ-QGZVFWFLSA-N 428.537 2.362 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1730626615 SPFSANZGFGOUTM-AWWSKVOZSA-N 425.533 2.465 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1740532976 NMGZYTOUIZOVFO-CHWSQXEVSA-N 429.468 2.413 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1740696458 VAFUBLZSANWMPQ-GOTSBHOMSA-N 436.604 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCC#C)CC1 1740701344 CYAKIBJMDDOWMN-UHFFFAOYSA-N 432.553 2.149 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)nc1 1740897150 WQXSDHKLOQSUGB-UHFFFAOYSA-N 427.534 2.312 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1740899246 JCTSDBAEJMHIQP-UHFFFAOYSA-N 426.569 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccs2)CC1 1740990265 OFTLVHASLVPRFB-UHFFFAOYSA-N 446.602 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740993760 IBFGASQXNVLMBF-NQIIRXRSSA-N 438.594 2.156 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1741123373 AHGGUTHPPAKRJE-JTQLQIEISA-N 446.865 2.466 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741245132 KOEQURGTMGKGBX-PMERELPUSA-N 428.562 2.313 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741609636 ILPVJVXHJWKPHL-LJQANCHMSA-N 425.537 2.395 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1741802426 IGNLQVDHGJZMQX-MJGOQNOKSA-N 440.548 2.426 30 10 IEEE Cn1cc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)cn1 1748012500 CKILYZCXUCKEFR-KRWDZBQOSA-N 440.458 2.273 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@@H]1C 1748353444 ZSXFCJOBIFYZQX-INIZCTEOSA-N 442.520 2.167 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1748730196 GAPLLLAHGOSWIW-UHFFFAOYSA-N 443.596 2.430 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748810619 YQQROGJGKWXUSR-KRWDZBQOSA-N 446.573 2.253 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCNC(=O)Cc1cccc(F)c1 1748842294 JYTMGDZYBITQRZ-UHFFFAOYSA-N 430.487 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOC(C)C 1748887270 ZXTVKHABWHKMEZ-UHFFFAOYSA-N 428.562 2.126 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1748998851 BYDMBPDGLGNATR-FQEVSTJZSA-N 440.567 2.483 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749020060 KEHCUVQJUJVRBE-IRXDYDNUSA-N 426.546 2.297 30 10 IEEE COCc1nocc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1749462806 RGGVBTYCUKHUOD-AWEZNQCLSA-N 430.415 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(C)(C)C)CC1 1749729256 FNHCENXMWITEIW-UHFFFAOYSA-N 432.594 2.252 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1750084059 JRCVUJGLAWNRRD-MOPGFXCFSA-N 441.488 2.374 30 10 IEEE CC(C)CN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750839424 JWYMQKNRZZAFOX-XDOYNYLZSA-N 441.580 2.240 30 10 IEEE C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1751150275 IZXLVARAYNPKKL-QGZVFWFLSA-N 447.543 2.385 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC(C)(C)N1CCOCC1 1760123543 IDYBNUYKZDIHQO-GOSISDBHSA-N 427.549 2.434 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H](C)C1 1760201666 HJOMZVVQXPKQAP-ZWKOTPCHSA-N 430.512 2.080 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCC1 1760226459 UOQACKUSZJCQMH-UHFFFAOYSA-N 440.367 2.463 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2SC)CC1 1760252350 PNJQRMYWMZCIKD-UHFFFAOYSA-N 438.601 2.348 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CC1 1760259507 CSWSZOABMLUUOA-UHFFFAOYSA-N 429.528 2.410 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)CC1 1760326590 YJPKGTJXOFWIKG-DENIHFKCSA-N 426.565 2.014 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760327813 MFLLCALJTDKZIL-CROMWVBPSA-N 447.580 2.002 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760356680 UHOMBIOVLNXYDD-SJLPKXTDSA-N 444.511 2.404 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCCc2ccccc2)CC1 1760383704 XHXQWQQONUFEBQ-DEOSSOPVSA-N 439.560 2.446 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1760440761 PPBFDLAEGAVCDI-QGZVFWFLSA-N 435.594 2.128 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1760480906 ILTPHWYDAMHTHJ-UHFFFAOYSA-N 448.575 2.035 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760506205 SKXWSCLHUGQXOY-OAQYLSRUSA-N 429.546 2.348 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CO)c2)C1 1760534826 GVNAXOKKTDKCPJ-LJQANCHMSA-N 434.500 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)C1 1760551802 SDUNPYMMDPZBKK-NRFANRHFSA-N 429.546 2.423 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760569484 PTLIKJGOYLUZQE-OAHLLOKOSA-N 448.618 2.246 30 10 IEEE CCCN(CCC)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1764355912 WJYLWDQQBNIQHQ-QGZVFWFLSA-N 443.552 2.247 30 10 IEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1765653292 DNOURGNXFIDNOB-FQEVSTJZSA-N 441.532 2.276 30 10 IEEE CON(C)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1770238701 IXAGDRTXGYIUKC-ICFOKQHNSA-N 447.293 2.232 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1771348571 XXSBAHFBHQRCIQ-GOSISDBHSA-N 427.530 2.175 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1772543382 JYDCXJRMIOYXFE-INIZCTEOSA-N 440.483 2.104 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c(C#N)cnn1-c1cccc(C)c1 1851027168 PHAQUUVWXQCRSW-UHFFFAOYSA-N 433.472 2.078 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1851714348 ZCXQBIPBUPRFKG-UHFFFAOYSA-N 442.541 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)NCc3ccc(C#N)cc3)CC2=O)CC1 1851834879 YPPAOLZFBWQLQC-SFHVURJKSA-N 426.517 2.422 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc3ncccc3c2)C(=O)C12CCCCC2 1854400539 CJDNGFRYULMMFR-UHFFFAOYSA-N 426.498 2.075 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cccc(Cl)n4)C(=O)C3)C2)s1 1856380742 RBNGUVKLHOOAOH-CQSZACIVSA-N 429.933 2.227 30 10 IEEE C[C@@H]1CC(=O)N(C(=O)[C@@H]2COc3ccccc32)c2ccccc2N1S(=O)(=O)CC#N 1857461146 MKCWZPCWNYGQPF-GDBMZVCRSA-N 425.466 2.174 30 10 IEEE C=CCN=c1nc(N(CC)CCc2ccncc2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711956 XLRMQFRIAXTSJH-UHFFFAOYSA-N 433.516 2.292 30 10 IEEE CCCOC(=O)CSc1nnc(CC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874528926 IRXHVRLSAKCZAB-VXLYETTFSA-N 435.462 2.447 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1909081251 IBGCOQCHKPWHKL-CJKQYIFKSA-N 439.553 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060641747 MNKFIHNMUQMYJS-UUAJXVIYSA-N 436.358 2.467 30 10 IEEE N#Cc1cnc(-n2cnc(I)c2I)s1 2242574210 LEZBLNZIWFCVEZ-UHFFFAOYSA-N 427.996 2.410 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247904460 BDYIBIFKHDKNPN-MRXNPFEDSA-N 432.351 2.092 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2250811709 BZKUOZDUJKDWSW-CYBMUJFWSA-N 449.495 2.189 30 10 IEEE COc1ccc(C(=O)NCCONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255542200 OGZJXHAZRKHYKU-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630493 LCMUHNMGIWMGPX-HIFRSBDPSA-N 434.346 2.132 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)o2)OC1(C)C 2255659059 MVFBIRUEMYWTPW-LBPRGKRZSA-N 430.232 2.110 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255700067 XFTBQCYPGPOEQT-PBHICJAKSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255824299 FOKDQEBVGOIEON-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255833402 CFTLNBXMZYCTFP-OAQYLSRUSA-N 434.346 2.086 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)o2)OC1(C)C 2255847873 SWDSAFGLGNXOGY-SFHVURJKSA-N 426.322 2.210 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2259354266 AVUZXYUTALRXKR-WMLDXEAASA-N 431.342 2.414 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127986 VCEQZDUFUFNIKE-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267134819 VCHLYIIDGPCWMW-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CNC(=O)OC(C)(C)C 2267167231 CRORREPCXKHMPK-LSDHHAIUSA-N 446.357 2.009 30 10 IEEE C[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267265752 KEHQAHLAKFUGHI-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267490482 OVNWSRWJGPLPOL-IBGZPJMESA-N 439.365 2.125 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)n1 2267504119 NSADRVHHWPNVSX-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(Cc2ccccc2)C1 2267527812 MPDKSPYELBCWLX-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C 2267529518 MNDFGHLZDSRVFB-PXNSSMCTSA-N 438.381 2.453 30 10 IEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876548 NQQDKHGNYBSLHP-QFIPXVFZSA-N 448.373 2.445 30 10 IEEE Cc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2268624959 WDCGOSADBHXZCH-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269075482 WSYOSRPHINUWGP-QAPCUYQASA-N 440.305 2.169 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)ccc2F)OC1(C)C 2270599192 LLMWCGXXXREVAB-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271384931 HDXVUQDRQNQYAH-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)c(OC)c1 2296610756 MSLOUULXIIYXAJ-FQEVSTJZSA-N 425.485 2.472 30 10 IEEE C=CC[C@]12C=C(OC)C(=O)C(OC)(OC)[C@@H]1[C@H]1C(C=CC)=C[C@@]2(OC)C(=O)C1(OC)OC 2333289837 JSAXPXNTZVWWDV-RPHTVSPISA-N 448.512 2.357 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 2337304835 YCDWJSBNSPUUEL-XMMPIXPASA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](O)C#Cc2cccc(Br)c2)(S(C)(=O)=O)C1 2351777745 QTRXYJRBJLIUPD-HNNXBMFYSA-N 444.347 2.196 30 10 IEEE C=CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 13795193 VGWBDBRTKYXKMD-UUPHZHHOSA-N 439.559 2.147 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)Cn2c(=O)oc3cc(C(=O)OC)ccc32)nc1C 96550749 LIDMOKAVLADOQU-UHFFFAOYSA-N 431.426 2.128 30 10 IEEE CCN(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 110914163 UIGLQRXWKMOTKF-NRFANRHFSA-N 426.542 2.084 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@]3(CC=CCC3)C2)CC1 303552606 JUYWZRZJXKMEKV-HSZRJFAPSA-N 442.585 2.213 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)C1=O 410117192 LMLSAMHVTHAXFP-OAHLLOKOSA-N 429.336 2.020 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CCO)[C@H](C)C2)n(Cc2ccc(F)cc2)c1C 426486889 RKOAIEKLAOBXIW-MRXNPFEDSA-N 427.524 2.101 30 10 IEEE C=C(C)Cn1c(SCC(=O)Nc2c(C(N)=O)c(SC)nn2C)nnc1-c1ccco1 429515755 GZGUDNUDGZTWJA-UHFFFAOYSA-N 447.546 2.399 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)cn1 462097711 ACQOWRGXGMEMMN-UHFFFAOYSA-N 430.516 2.078 30 10 IEEE COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(C#N)c(SC)nc1O 476953216 PVTFIQRAPLRTDK-UHFFFAOYSA-N 428.470 2.256 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1 503631164 UOSPFSHQXBVPLC-UHFFFAOYSA-N 445.273 2.492 30 10 IEEE CCc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 510327478 PCGGSOZYVBBCJN-UHFFFAOYSA-N 440.569 2.086 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccc(Cl)cc3F)n(C)c2=O)c1 537394248 KRJYXBKMVIDVAR-UHFFFAOYSA-N 443.887 2.337 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 537906969 ZZTWCNFIGPMQGS-LBPRGKRZSA-N 431.399 2.243 30 10 IEEE CN1CCc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc21 539424360 OLQGYPXKPHMPAY-UHFFFAOYSA-N 425.514 2.089 30 10 IEEE N#Cc1cccc(N2CCN([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)n1 546911667 BLJJAKAAXKIKRX-KRWDZBQOSA-N 429.402 2.426 30 10 IEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2cc(OC)ncn2)CC1 549678611 ZPBABPRSLQULND-IBGZPJMESA-N 449.515 2.492 30 10 IEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555238199 GTGSRCOJTMEIGZ-UHFFFAOYSA-N 442.564 2.042 30 10 IEEE C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 558174330 RVMMWUCTRNFKOE-UHFFFAOYSA-N 435.524 2.090 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cc(Br)cc(C#N)c2=O)CC1 581338903 YMTPBCCZMHZSHV-HNNXBMFYSA-N 429.318 2.388 30 10 IEEE COc1ccc(C(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] 586393472 FACNVGDMBAAYNO-UHFFFAOYSA-N 438.440 2.090 30 10 IEEE CCn1c(O)nnc1C1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 590175044 UMIKJGFYMQPNMR-UHFFFAOYSA-N 440.323 2.206 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCCO1 603797721 GBIKXJWXYMZVPY-KRWDZBQOSA-N 445.972 2.162 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 609576223 LZVHYEYCPVLXBQ-GOSISDBHSA-N 432.433 2.075 30 10 IEEE Cc1ccc(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(NC3CC3)n2)cc1 725429031 ARHQLKYYQSNERP-UHFFFAOYSA-N 430.339 2.459 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 732441421 HUWHOXDEBZDADY-FMQUCBEESA-N 431.924 2.130 30 10 IEEE CCn1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)c2ccccc21 735769544 LXGDBPZWBMVELQ-KRWDZBQOSA-N 431.452 2.079 30 10 IEEE Cc1ccc(COc2cccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2)cc1 737305298 GMYUUNIQMWSPTF-DQRAZIAOSA-N 448.479 2.155 30 10 IEEE COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cc1C#N 746869705 YHAGMIOPELWOFA-UHFFFAOYSA-N 448.932 2.332 30 10 IEEE COc1ccc(COC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)cc1C#N 748331218 CLMDFZFSXFHIPQ-UHFFFAOYSA-N 425.260 2.334 30 10 IEEE C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnn(C)c1 750686058 CECSWNDBBPEMHG-HNAYVOBHSA-N 443.529 2.046 30 10 IEEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)Cc1nn(C)c(=O)c2ccccc12 759237515 UKEKEYVNJZODPH-MRXNPFEDSA-N 434.452 2.189 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1 771546924 YHLNVABRFGAQRO-SFHVURJKSA-N 449.540 2.091 30 10 IEEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 775986124 DYNVZJRWGKCADP-CHXDIULOSA-N 449.577 2.397 30 10 IEEE C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 795966363 ABPBFTVMSSHSSE-HNNXBMFYSA-N 442.497 2.312 30 10 IEEE Cc1c(C(=O)OCCN2CCN(S(=O)(=O)C3CC3)CC2)sc2ccc(C#N)cc12 797053382 GFPYZBHOGJITSR-UHFFFAOYSA-N 433.555 2.348 30 10 IEEE C#CCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@H]1CCS(=O)(=O)C1 800735226 QKJMZYBFWDWDEJ-WFASDCNBSA-N 427.320 2.105 30 10 IEEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)cc1F 802343632 UIKMJTYLDYTAEM-QGZVFWFLSA-N 438.463 2.126 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1cccc(OC)n1 811045590 GIWBUYMTHFBIEQ-INIZCTEOSA-N 445.497 2.114 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)c(C)cc1F 813707126 DJGRTUUSAZTVFZ-UHFFFAOYSA-N 438.506 2.068 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813745389 IIOWQNGYGATHFA-LSTHTHJFSA-N 434.562 2.492 30 10 IEEE CN1CC[C@@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[C@H](c2cnn(C)c2)C1 849516619 JAYGOIZPHHIDKN-IRLDBZIGSA-N 443.555 2.224 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 916179597 DPEBJBCNJWPQBO-KHPPLWFESA-N 437.521 2.456 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 918957093 QMXOKRBGAWCVGM-CQSZACIVSA-N 434.436 2.109 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 1116569628 RCMAQUXELFBTEX-LJQANCHMSA-N 431.533 2.355 30 10 IEEE Cn1cc(CNC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 1127993787 BLODHQOBSXNLNB-MJGOQNOKSA-N 425.489 2.257 30 10 IEEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccc(Cl)c(Cl)c1 1159490276 OKQSEMFJLNWVIT-UHFFFAOYSA-N 445.266 2.319 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1Br 1212179497 BKUYVSUBFJJROV-UHFFFAOYSA-N 433.349 2.053 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](COC)OC)c1 1286311550 NPALIBUTWDGGQB-UXHICEINSA-N 441.532 2.237 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1CCOCC1 1286362710 HAQSRRMWHDTQCS-UHFFFAOYSA-N 430.578 2.433 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOCC1 1286418978 UVEKXTSOWVMMKP-UHFFFAOYSA-N 445.365 2.221 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC2CCCC2)nc1 1286429057 GTGKFCAOMQLETK-FQEVSTJZSA-N 432.528 2.457 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2conc2COC)CC1 1286489023 CAIFQGDOGSVJAS-UHFFFAOYSA-N 434.500 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCn2cc(C)cn2)CC1 1286489181 INAVURWMQNUKDM-UHFFFAOYSA-N 431.544 2.424 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1286613032 NWKCBHGXWDJXHE-UHFFFAOYSA-N 429.569 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1Cc2cccc(Br)c2C1 1286785731 RFHBJYKVGPLWPT-UHFFFAOYSA-N 442.321 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286820852 TYGOGVBLOIBZPB-GOSISDBHSA-N 446.573 2.263 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291499143 CPJAZYRMOVFZFG-BSBNDGSWSA-N 430.553 2.307 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN(c4cccnn4)CC3)C2)C1 1296401397 NWZQHIMODVVQNJ-WCCYLALTSA-N 440.548 2.348 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1300409269 GVKHUEBCEPZKCX-MOPGFXCFSA-N 430.578 2.248 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1300458569 JQSXHDCKSDNSAS-QGZVFWFLSA-N 428.541 2.144 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300495029 BTIMAMDPAQZVCC-HUUCEWRRSA-N 434.484 2.489 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCN(C)C1 1300674886 HMIYDWGUSQBHHL-QFIPXVFZSA-N 429.590 2.031 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300887709 GCYBFCINQHAXEW-RXVVDRJESA-N 441.580 2.202 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCSC1 1300980227 GGFHXCHPEIHERF-GOSISDBHSA-N 426.550 2.455 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1301251940 JQWQNNSHGVMIGF-LJQANCHMSA-N 425.533 2.310 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CC1 1301399453 NLRQTEFFHNSQJR-UHFFFAOYSA-N 440.573 2.491 30 10 IEEE CC(C)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccc(Cl)cc1 1301460104 FZCANFFXMYQYHM-WOJBJXKFSA-N 435.933 2.364 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1301491241 NCWBCNRGHPJTPB-KRWDZBQOSA-N 439.564 2.019 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1301524944 FEOUABWWSPUQOV-AEFFLSMTSA-N 429.546 2.389 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 1302882433 GUKUFDJBDUCYGA-JZXOWHBKSA-N 429.546 2.255 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1302913723 HYQAGWILLRMHBJ-FFZOFVMBSA-N 441.532 2.272 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCCCCCC1 1303096365 RNTKXYTZFGMFNL-RWNPKEDZSA-N 428.537 2.469 30 10 IEEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1305058974 KGYUFVXHOXBZRG-QGZVFWFLSA-N 430.578 2.172 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@]1(O)CCO[C@H]1C 1314348319 GPWJVPZZHQQRPE-GAJHUEQPSA-N 441.532 2.274 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1358885974 VIWFHHXPKKVNJC-MSOLQXFVSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1358961009 QCWANLVAWUQJFO-SFHVURJKSA-N 445.589 2.298 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1358978825 VYOCARYROWONJC-CYFREDJKSA-N 433.560 2.076 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)c2ccccc2)CC1 1359027994 CTDPLZMBLODMLB-UHFFFAOYSA-N 428.487 2.061 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1359036568 ZRXBVTKANQMTIE-UHFFFAOYSA-N 443.617 2.237 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1359095554 PKIBKGRUJDFIAX-LPHOPBHVSA-N 432.546 2.170 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1359112952 WNXCVOIEAAQMFJ-SFHVURJKSA-N 431.562 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359298286 UJPUWJANSGCZAA-FXAWDEMLSA-N 435.532 2.437 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359303192 HARDNSGVWWRRDG-HNNXBMFYSA-N 428.503 2.386 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC 1359342871 GOSLBZSIQFLKJK-ULQDDVLXSA-N 443.639 2.155 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1359511397 QAKCCTXTKAYZQH-SUGGAOAUSA-N 428.537 2.250 30 10 IEEE N#Cc1cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)ccc1Br 1436559261 CRLGTSAXOLQYDQ-UHFFFAOYSA-N 439.269 2.331 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1441009804 KMCFEZADQGRSQU-UHFFFAOYSA-N 425.510 2.199 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 1442749948 OHTCFEWIROSCMC-UHFFFAOYSA-N 427.526 2.200 30 10 IEEE C=CCC[C@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1449695436 MVXYYUCJYPHBMJ-INIZCTEOSA-N 435.525 2.478 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)CCO2)cc1 1460855132 BXFXSRFEMIEXER-NRFANRHFSA-N 436.468 2.441 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)cc(Br)c1N 1466320265 VCLBEHLYQISSJF-UHFFFAOYSA-N 426.130 2.124 30 10 IEEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NCC3(C#N)CCOCC3)c2)C1=O 1470138931 UQBXPBFELPAIPD-NRFANRHFSA-N 425.489 2.031 30 10 IEEE C=C(C)CONC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1470679041 FUHULEXLWJFKJE-UHFFFAOYSA-N 429.258 2.266 30 10 IEEE Cc1ccc(C(=O)N[C@@H](C)c2ccncc2Br)cc1S(=O)(=O)NCC#N 1471705195 KEYMUCXLTZVCEA-LBPRGKRZSA-N 437.319 2.445 30 10 IEEE Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)CCn3cc(C#N)c(O)nc3=O)n2c1 1472143894 XSEHNJLZGJNXMS-UHFFFAOYSA-N 446.442 2.289 30 10 IEEE N#Cc1cc(F)c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1Br 1472739370 AEESVJNJHXJXSW-CYBMUJFWSA-N 432.315 2.091 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1474956007 HEPGPWFRHQUNOZ-BEFAXECRSA-N 436.553 2.007 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)c1 1475280108 XTTHOJSRPSALPI-SFHVURJKSA-N 435.546 2.378 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 1479381721 QHAOPQQCPQNVLO-KRWDZBQOSA-N 449.342 2.490 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCCCCO)n1 1492518150 UQOLVCXWKJXRGR-UHFFFAOYSA-N 449.563 2.051 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1503701448 AEMIBTQOEBAIRM-LPHOPBHVSA-N 440.548 2.362 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCC[C@@H](O)C1 1504886263 BMCKCIIHOLVUSV-UYAOXDASSA-N 437.548 2.434 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1505259481 APFJDPCGVHCPBO-UHFFFAOYSA-N 448.618 2.335 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1507561094 RKSGSKGIDMVWKY-QGZVFWFLSA-N 447.543 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nc3cccc(Cl)c3n2C)CC1 1507742844 SHOHDHAXSOSNTR-UHFFFAOYSA-N 439.951 2.395 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1508161100 KXCXMMIAXUIFMK-INIZCTEOSA-N 445.549 2.331 30 10 IEEE COCCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1518951446 MTZOWKGXOIHUBR-IBGZPJMESA-N 439.564 2.438 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCO1 1519150098 CYYAGUHXXVLDJY-WOJBJXKFSA-N 438.532 2.323 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1519276131 MQQRBXGRYPOZGA-INIZCTEOSA-N 444.536 2.256 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)c1 1521074681 ANDJJFUCVHYXQL-FQEVSTJZSA-N 428.493 2.084 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1538973809 PHJLNOPQVKCXJP-WFASDCNBSA-N 445.321 2.154 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539206941 XVFXCDVERLNTBV-VQTJNVASSA-N 442.585 2.483 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccoc1 1539408959 JETSJXNAZOAHHD-UHFFFAOYSA-N 432.484 2.402 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC 1539552267 MTPLZWSLPRRARD-XMMPIXPASA-N 447.543 2.193 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1539668602 BXUMUBSTLCWKQX-LJQANCHMSA-N 441.532 2.475 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540027833 CDAGPDRFBNNUFQ-INIZCTEOSA-N 427.505 2.324 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCOCC2(CCC2)C1 1540875403 KVQBZNSWIXPVFR-UHFFFAOYSA-N 429.496 2.305 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1540899360 LLVCQFDLKSWZCG-MRXNPFEDSA-N 429.546 2.421 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOCC1CCOCC1 1541113738 ZJKYKIDSFMPPCL-INIZCTEOSA-N 444.536 2.435 30 10 IEEE C[C@H]1c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2CCN1C(=O)OC(C)(C)C 1542978263 LOQBNUOUHFKMOH-DPHDRGAJSA-N 443.504 2.056 30 10 IEEE CCc1nnc(N2CCN(CC3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546540555 RNTNFOQHWARVAV-DQRAZIAOSA-N 441.580 2.069 30 10 IEEE CC/C=C\Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1546777641 SYIDTVMOECSISF-UTCJRWHESA-N 443.515 2.485 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCc2ccc(CC#N)cc2)cc1 1557191181 MYQBXAAMXQIAQZ-IFMALSPDSA-N 441.553 2.316 30 10 IEEE N#Cc1nc(NC(=O)c2cnn(-c3ccccc3)c2I)[nH]c1C#N 1570861295 VOMSTHJOQXTVKN-UHFFFAOYSA-N 429.181 2.196 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)c1ccc(I)cc1-n1cnnn1)C2 1584871018 SGPPMWQYVNJYGN-UHFFFAOYSA-N 442.220 2.295 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CC)C2)c1 1587689575 LYWJIUITZJUWIX-LJQANCHMSA-N 446.559 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C 1588229073 QMLSBSBMJCZKRQ-QAPCUYQASA-N 429.546 2.052 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC)[C@H](C)C1 1589110775 ZJHSSAJLGXXJJU-MRXNPFEDSA-N 432.619 2.166 30 10 IEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1593757887 QBKDEQCZSDOCPG-IBGZPJMESA-N 447.605 2.126 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1594625981 JXYFDHMKRIAPMU-DLBZAZTESA-N 439.582 2.251 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1594824638 NZPCTLZCNAYFFN-UHFFFAOYSA-N 443.470 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CCOC)C1 1595772698 GMBVVDGMNPWRCV-HNNXBMFYSA-N 439.969 2.457 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](Cn4ccnn4)C3)C2)C1 1596982444 JZYOGFCLTQHXPF-ZUHIPDPLSA-N 428.537 2.304 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1596984060 BBFUASFDZGJFQI-ZWKOTPCHSA-N 430.553 2.201 30 10 IEEE C=CCN(C(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1597171033 SNZWVBWVOSQALL-GJZGRUSLSA-N 438.550 2.058 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1598234875 ASORGSRJSLYAQM-FDDCHVKYSA-N 440.548 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2=O)C1 1603252998 HNCJKJXRBRVPHX-QGZVFWFLSA-N 426.517 2.172 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1610313013 GFFKPMUKDRBSKA-IAGOWNOFSA-N 446.577 2.291 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCN2CCCCC2)CCOC1 1616264299 XAGZKBHXTKIUKK-NFBKMPQASA-N 446.596 2.315 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616841016 WPUFLQSZWBMBPE-VLUKHXRESA-N 442.442 2.120 30 10 IEEE CCO[C@H]1C[C@@](O)(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(C)C 1618766078 XHAQFSRTKWVFJG-FXAWDEMLSA-N 436.350 2.439 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)N(C)CCC#N)cc1 1622506799 ABLUIWNWDIRHSW-SFHVURJKSA-N 438.550 2.379 30 10 IEEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1622728781 GTIMDQIZXZQABB-SJORKVTESA-N 441.575 2.115 30 10 IEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1624129211 DIFKFGHXQCYCBA-KRWDZBQOSA-N 427.526 2.325 30 10 IEEE CCOC(=O)c1ccc(N2CC(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)nc1 1624989251 DAUKACPGTCVVBJ-UHFFFAOYSA-N 449.511 2.290 30 10 IEEE CN(C)Cc1nc(C(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)no1 1626382828 PXLAWYVHLQZDKE-HVPFBLEYSA-N 446.552 2.269 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1627577821 CSDSPYYMMCKDNH-QGZVFWFLSA-N 444.598 2.236 30 10 IEEE CC#CCN(C)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1628796923 STVFLYUIYUOVJF-UHFFFAOYSA-N 426.311 2.231 30 10 IEEE Cc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)NCC#N 1628969804 JJUVUZNWOKOAIY-UHFFFAOYSA-N 437.525 2.314 30 10 IEEE Cc1cc(C(=O)NC2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1631254084 JPDQEXTYXHRQAR-MRXNPFEDSA-N 433.509 2.291 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCCC(C)(C)[C@H]3C#N)CS(=O)(=O)[C@H]2C1 1634844788 HUVXJUBZLNJTIS-WCXIOVBPSA-N 439.578 2.197 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1635933625 OMJKXTCQBRDLHT-JKSUJKDBSA-N 425.489 2.288 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(CO)Cc1ccc(OC)c(OC)c1 1644951130 FDCCUYYKUOQVIP-UZUQRXQVSA-N 434.533 2.420 30 10 IEEE C[C@@]1(Cc2ccc(I)cc2)CCCN1C(=O)Cn1cnc(C#N)n1 1648101110 MOGBSJAAZLVYQK-KRWDZBQOSA-N 435.269 2.378 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CO1 1648486757 BVARCPIPDGPTFW-MOPGFXCFSA-N 428.533 2.480 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1654852424 NNVOJOLAVXIUMX-OAUYIBNBSA-N 438.468 2.216 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1683704285 XLFBOLBXKOAUTP-UHFFFAOYSA-N 445.523 2.460 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)C1 1686056338 WFEUAOZYPMMAMP-OJLPUSQMSA-N 449.552 2.444 30 10 IEEE C=C(CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1686698776 IDJXOWNAVSRGBE-GOSISDBHSA-N 437.562 2.423 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1nc2cccc(Cl)c2n1C)[C@H]1CCS(=O)(=O)C1 1689993215 XXZDFQYQAQYAEY-AWEZNQCLSA-N 446.964 2.056 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCCOC)cc2)CC1 1690134953 MLSQONDBGVRDFS-JOCHJYFZSA-N 439.560 2.348 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690174937 MMBKDYLHDWKJBK-INIZCTEOSA-N 449.558 2.091 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)CC1 1690472780 VVNDPUWBDBNQRB-UHFFFAOYSA-N 445.593 2.181 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCN1CCN(C(C)=O)CC1 1690559573 HECRHYNIFBFDEV-UHFFFAOYSA-N 433.560 2.384 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C 1690672404 QOGUWPRHMISCRZ-QGZVFWFLSA-N 440.529 2.494 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C)C1 1690740287 PJWQRKKHTAGVNU-OAHLLOKOSA-N 436.607 2.383 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1694129253 PCGXBOGSJDHFRJ-AEFFLSMTSA-N 436.564 2.300 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1695534264 BJISPVJSRPELSJ-HXUWFJFHSA-N 436.541 2.468 30 10 IEEE COc1ccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1697462182 OPGGQLUUFJMBFT-RTWAWAEBSA-N 430.484 2.213 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1705523512 ZKGZQEFHUZPJCT-UYAOXDASSA-N 431.581 2.295 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705556664 KZTWNWWYAVWFGB-IBGZPJMESA-N 446.559 2.470 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)s2)CC1 1705635446 YXZQXTOTJDJRKX-FQEVSTJZSA-N 435.981 2.449 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705903797 UPLKRVYFUPOPLB-SFHVURJKSA-N 437.504 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2ccc(OC)cc2C1 1705932396 SNFNATYKWVZGSG-UHFFFAOYSA-N 427.530 2.445 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1706078169 UPEIOCUHSKSUTL-SJLPKXTDSA-N 435.507 2.343 30 10 IEEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1709776773 XNNOXKUTBVBPPR-UHFFFAOYSA-N 434.552 2.204 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1711165941 HRFOJVPOMFHJBV-QHCPKHFHSA-N 441.532 2.458 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C[C@@H](C)O1 1712302801 AULNUOZUBZONRG-QMMLZNLJSA-N 439.516 2.314 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(SC)CCOCC1 1712639376 DWJPHJMDDOGVQH-BXWFABGCSA-N 439.557 2.356 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1722359614 VADDEZMTHKQLSF-KBAYOESNSA-N 435.594 2.184 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1nccs1 1722459455 KLEPQKMQBXGQOT-GJZGRUSLSA-N 439.632 2.243 30 10 IEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1722534236 JSGATCQTMPGZMT-UHFFFAOYSA-N 444.561 2.101 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1722681377 KVQXFWLFISJASH-HNNXBMFYSA-N 437.566 2.153 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722695002 OUXVQAXAEYKAHE-FUHWJXTLSA-N 436.516 2.036 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)nc2)C1 1722709425 QFSXTBVPRUMOAY-IBGZPJMESA-N 439.564 2.241 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC2CC2)C1 1722712383 RCNPXWRSSZQZQQ-GOSISDBHSA-N 431.562 2.255 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)C1 1722722243 MQLCVEDRZUPYOL-AOMKIAJQSA-N 429.496 2.256 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1C 1728615392 XMSLBXMLHCKJRP-KRWDZBQOSA-N 433.516 2.257 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1740575899 WMNKRUPIIFOMPW-RBUKOAKNSA-N 437.610 2.287 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740594705 AKHYMSZXWHQHHF-HOIFWPIMSA-N 443.573 2.456 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(N(C)C)nc1 1740640710 UQHXTVFKJDYSRH-OAQYLSRUSA-N 428.496 2.373 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1740695687 AYKMRJLGYIMVCG-QHCPKHFHSA-N 449.647 2.443 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C 1740724254 ZWRLMKCRDSFYSV-HSZRJFAPSA-N 430.516 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(C)(=O)=O 1740730359 YNLAIEAIEYCBSC-OAQYLSRUSA-N 432.546 2.389 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1740810586 WZJKREMSBXEZIT-GOSISDBHSA-N 430.940 2.455 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccn2)C1 1740982788 XCBYQZMZTCLBQB-MSOLQXFVSA-N 445.589 2.334 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1741803486 QIRGJCFPWFBHED-DOTOQJQBSA-N 445.545 2.012 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1743891593 UEYZXVWGPQKUKM-LSTHTHJFSA-N 449.559 2.179 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCc1nc2c(s1)CCCC2 1748960953 SEHGKNVRUQRSAA-QGZVFWFLSA-N 442.589 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2sc(C)nc2C)CC1 1749018872 HEXCQWZKZKZRRW-GOSISDBHSA-N 442.589 2.411 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749114415 BTUUPAABYLIZLA-OTWHNJEPSA-N 446.596 2.091 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 1749131761 VKCYBYZWVXKLMM-BBWFWOEESA-N 440.635 2.493 30 10 IEEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749276357 WXNXIPQFYIHUSK-SJLPKXTDSA-N 434.924 2.185 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1749499800 NVSNWTAFVWBXAF-QFIPXVFZSA-N 435.576 2.377 30 10 IEEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1749512085 RNOMHVROVDPYAH-XDOYNYLZSA-N 429.484 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1749711765 CBULGRPWLABQPD-XCDZQEORSA-N 438.594 2.165 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CCCCCC1 1749830859 RWSHAAGBEMNBFV-UHFFFAOYSA-N 443.552 2.248 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)CC1=O 1749875018 YQIGOKRQWSQUSM-UHFFFAOYSA-N 436.541 2.416 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCc4oncc4C3)n2CC(=O)NCC(F)(F)F)c1 1750381151 JWTYRTNDWTUJNT-UHFFFAOYSA-N 431.378 2.046 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c1C 1751326287 RJDMPMRAHWZTIS-RBUKOAKNSA-N 429.521 2.163 30 10 IEEE Cc1nc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CCO2)no1 1751763659 QGMUCXBDDXYRRF-INIZCTEOSA-N 445.430 2.368 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1760145159 IXNZOEJJPZOTHE-WBVHZDCISA-N 445.545 2.372 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCCN1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760184806 ZCDQNZCVOZNVPX-HXUWFJFHSA-N 441.601 2.481 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(C)C(C)C 1760195999 CVOMIOGMAWNGBV-UHFFFAOYSA-N 427.574 2.152 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@H]1C 1760499141 PMPJPSZFLBXMHV-CYFREDJKSA-N 439.560 2.176 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1761315017 GNFPPXFHHVSEQO-GOSISDBHSA-N 440.504 2.185 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1767575926 OJHSXSYODIXAMI-AEFFLSMTSA-N 432.532 2.094 30 10 IEEE CO[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)(C)C 1768118062 ZIWCBJDHBLVTLA-RBUKOAKNSA-N 439.564 2.436 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1771055796 AHWGZRJFXDNUSY-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCOCC1 1771295548 UFCYHYLWSLOPDB-DJPFJPOOSA-N 437.516 2.030 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)C1 1771346118 OVIHQRGRHJIYKA-LPHOPBHVSA-N 429.546 2.257 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCCOC(F)F)cc1 1771535167 ZDZAIUHQSBIUFG-RDJZCZTQSA-N 446.458 2.073 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772788763 GHSQROPCOSCYNG-DPZWOIPNSA-N 444.443 2.364 30 10 IEEE CN1CCC(OC(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851362249 PQGUOUKKXMFSDK-NRFANRHFSA-N 427.526 2.085 30 10 IEEE COc1ccccc1N1CCN(CCCNC(=O)c2cnc3c(C#N)c(C)nn3c2C)CC1 1851389872 KPRZVAIANRHUFV-UHFFFAOYSA-N 447.543 2.169 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)OCCO[C@H]3CCS(=O)(=O)C3)cc2)c1C(F)(F)F 1852636099 VXLXTLUREKVNCB-HNNXBMFYSA-N 443.403 2.123 30 10 IEEE C[C@H]1CC(=NC(=O)C2CN(C(=O)COc3ccccc3F)C2)NN1c1ccc(Cl)cn1 1853084087 BDBXDJJNZAOXCV-ZDUSSCGKSA-N 445.882 2.440 30 10 IEEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@H](C)NCCn3ccc4ccn(C)c4c3=O)C2)CC1 1853445507 WVFGHWKTECMOAE-HKUYNNGSSA-N 432.590 2.079 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854645901 UMUCHVATVDJBSK-CQSZACIVSA-N 431.901 2.202 30 10 IEEE N#Cc1ccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)cc1 1855109091 QIZPQRMMDPVHTI-LJQANCHMSA-N 431.514 2.042 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)c(C)cc1Cl 1855917583 MKSXLSFTBVBDGC-UHFFFAOYSA-N 445.928 2.431 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc1OC 1862634370 XGRNELQVOWQUJN-FKIZINRSSA-N 441.436 2.392 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C1CCN(C(=O)C(F)(F)F)CC1 1869066425 YPEQMZROLDPEJS-OAHLLOKOSA-N 435.512 2.226 30 10 IEEE N#Cc1ccc(COc2nonc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1872680167 ZHZAKONIYLOYQC-UHFFFAOYSA-N 447.451 2.207 30 10 IEEE C=C[C@@H](O)C[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883403030 RACMYMDFKMIGRS-HEJPJLNXSA-N 429.494 2.274 30 10 IEEE CN(c1ncc(Br)cn1)[C@@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 1890825364 KWFIQBNMCVAFJP-OAHLLOKOSA-N 436.335 2.400 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(N)c(Br)c2)CCN1Cc1ccccc1 1914864053 XUNBZDLOIQQXOS-HNNXBMFYSA-N 435.347 2.430 30 10 IEEE Cc1nc(I)c(I)n1-c1nccnc1C#N 1936387435 CPZFGXVJDAKKAG-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CC#N)CCC(F)(F)F 2114163378 SEYQLISCHNDDCZ-UHFFFAOYSA-N 431.436 2.417 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C 2124451620 MNJHFNOQCYMAGI-CYBMUJFWSA-N 426.315 2.321 30 10 IEEE CC(C)(C)OC(=O)NC1CC2(C1)C[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124531365 DCMQYTJQSADYIJ-HEOKHYPTSA-N 444.341 2.408 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2124540248 FLXFHKPBXDHTHS-OAHLLOKOSA-N 444.341 2.361 30 10 IEEE CN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164485808 CFJFRVRJUHLMLI-OAQYLSRUSA-N 429.473 2.344 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@]2(C)CO)c(B2OC(C)(C)C(C)(C)O2)c1 2232270684 KMDRHZLOVZONOC-HSZRJFAPSA-N 447.385 2.497 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](OC)[C@H](NC(=O)OC(C)(C)C)C2)C1 2247560230 QQRVUDPJJCBGLW-XXUFKVEXSA-N 437.537 2.044 30 10 IEEE CC1(C)OB(C#CC(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C(F)(F)F)OC1(C)C 2255595194 PGVFKWDJIAJHTQ-GHMZBOCLSA-N 442.165 2.222 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(C)C(=O)OC(C)(C)C 2255624764 HZBUXQKEHLESSN-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627666 WWBSWQAYGBTUOB-OAQYLSRUSA-N 436.362 2.378 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256056841 BKEWNOZBYNEDJV-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2258236390 JWQTZZZKETZJKQ-UHFFFAOYSA-N 426.244 2.269 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009822 OXHQVVPKJOQKBH-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267014449 YWBCGDHBFFUIAO-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267120739 OKVBPADKEJQKBG-YPMHNXCESA-N 444.259 2.416 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267198049 SNDYPFSEQPQFRA-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2267518105 AANAFRNEOVOWEL-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267524273 NPYPGSHGDNMLGR-KFWWJZLASA-N 446.357 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879944 NIOPEYLZYDLSIJ-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CC#CCN(CC(=O)O)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2300531693 KKZZLIVPCSFKSR-QHCPKHFHSA-N 429.517 2.092 30 10 IEEE C[C@H](C#CC(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302415667 SGZYBGPHESPVJK-OPAMFIHVSA-N 439.553 2.123 30 10 IEEE Cc1cc(CNC(=O)C#CCNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320559275 VROVZUWUBNAMSG-UHFFFAOYSA-N 428.338 2.439 30 10 IEEE COC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331211987 KSGUKQXGUCOZRS-UHFFFAOYSA-N 445.413 2.365 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2334263136 MCMRJZRDRBZKOU-IMJJTQAJSA-N 446.357 2.227 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n1C 2337188594 RVZGHYAHORAPKD-UHFFFAOYSA-N 448.373 2.111 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCN(C)CC3)cc2C1=O 32431803 WQNUMLGREBKTNE-UHFFFAOYSA-N 432.480 2.109 30 10 IEEE Cc1ccn(N2CCc3ccccc32)c(=O)c1C#Cc1ccc(N2CC[C@@H](C(N)=O)C2)nc1 89209867 ZSZMZVSKJGHTIE-OAQYLSRUSA-N 439.519 2.089 30 10 IEEE COC(=O)C[C@H]1C[C@H](COc2ccc(-c3ccc(/C(N)=N\C(=O)OC)cc3)cc2)NC1=O 111451000 PGCFXITVMNNKON-QZTJIDSGSA-N 439.468 2.272 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1C(F)(F)F 435166601 SWISNICYJHEDFX-CYBMUJFWSA-N 429.395 2.339 30 10 IEEE CCOCCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C#N)cnn1C 438245428 DESUCWXAFUNZMV-UHFFFAOYSA-N 429.296 2.270 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1=O 440277305 YAGZBGZGFRYJDM-CYBMUJFWSA-N 433.814 2.465 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cn1 462079016 BQZHLTIHFFDSKD-FQEVSTJZSA-N 435.463 2.473 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1F 488977859 WKQPDLMDWPRJCP-UHFFFAOYSA-N 443.909 2.046 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C)c1=O 507076771 FMJQDSODOGTYQZ-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(Nc2cccc(C(=O)OC)c2)CC1 508467212 XLWZDXFNLDKSBY-LJQANCHMSA-N 427.505 2.420 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC=C)CC1 508858432 RYVIRTDKJNSFPS-UHFFFAOYSA-N 432.475 2.157 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 515652670 TYVIGGOOUSSRCT-CYBMUJFWSA-N 447.538 2.177 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@H](C[C@@H]4COCC(=O)N4)c4ccccc43)n2)c1 516202667 GSDSKDVIHZADKD-ZWKOTPCHSA-N 427.464 2.393 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 517513231 MRQNOZGIZLRVDA-UHFFFAOYSA-N 431.558 2.161 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(Cc2ccccc2)c1=O 526035915 XHJPIEQOIWYRPM-SFHVURJKSA-N 434.517 2.358 30 10 IEEE C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546196424 UEEXXWZIBHGGMH-GFCCVEGCSA-N 448.346 2.244 30 10 IEEE COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546204912 RCTNVKMFVXNCKR-QGZVFWFLSA-N 425.876 2.069 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCO1 559184589 DWUNKEMYCQYXBD-SJLPKXTDSA-N 446.577 2.360 30 10 IEEE CC(C)c1nc([C@H]2COCCN2CC#CCN2CCOC[C@H]2c2noc(C(C)C)n2)no1 581839499 JVRNDHIIIZNEHX-HDICACEKSA-N 444.536 2.150 30 10 IEEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 589467614 AQILJVYUBGXDSO-QUCCMNQESA-N 432.933 2.052 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccccc1C#N 604001387 NJYYGMUDLZIEIJ-UHFFFAOYSA-N 446.919 2.229 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(-n2cncn2)cc1 611433233 USYDBOOSUCVCAO-XLIONFOSSA-N 435.557 2.388 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)cc2C1=O 642546913 OCVWWWIBFUFXHH-UHFFFAOYSA-N 425.466 2.261 30 10 IEEE CC1(C)OB(c2cnc(NCCCN3CCCC3=O)nc2OCC(F)(F)F)OC1(C)C 725417745 MNUOAAPPKVMDIQ-UHFFFAOYSA-N 444.263 2.141 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 727414931 FKPYAAQQWQNBNF-HNNXBMFYSA-N 426.519 2.438 30 10 IEEE C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 732878171 KYDNWWBKIKHUHN-OFBVGVCLSA-N 433.538 2.081 30 10 IEEE C[C@H](C#N)CN(C)C(=O)C[C@]1(C(=O)N(C)C[C@H](C)C#N)CCN(C(=O)OC(C)(C)C)C1 746155231 GJKRYTPZPLTRHN-DRSNIGMVSA-N 433.553 2.240 30 10 IEEE CC(C)OCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 758051052 LDRAONCNHPLLIM-KRWDZBQOSA-N 442.532 2.389 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cc1 761055561 LVLOEMIXBQEXPN-PMACEKPBSA-N 431.945 2.427 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 766611529 AQIPDIYKZAIATH-CQSZACIVSA-N 435.864 2.350 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cn3c(n2)SCC3)C1=O 767045163 NIJAZINYNJKQCL-OAHLLOKOSA-N 433.534 2.438 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 767829945 MAAOLCDXJYDGFA-LLVKDONJSA-N 445.335 2.326 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CC(C)C 767872070 LYCRQGFKUMQHLZ-UHFFFAOYSA-N 425.535 2.417 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2cnn(CCC)c2)c1=O 772276865 KNBMUXKPHHVYIL-UHFFFAOYSA-N 440.475 2.366 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC[C@H]2CCOC2)C1=O 784128142 MYNXRVBZRPZDCB-MAUKXSAKSA-N 436.553 2.252 30 10 IEEE COc1ccc(Oc2ccc(S(=O)(=O)NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)cc1 798833325 FTKAZNXDPQTMHI-ZDUSSCGKSA-N 427.442 2.017 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 809925826 DQFJOTQIZJWTGL-UHFFFAOYSA-N 438.532 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 810100641 OTNOAEPLJFVWRM-MRXNPFEDSA-N 433.484 2.277 30 10 IEEE C#CC[C@]1(C(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1130681684 XKPUBDALRVJVJC-RBUKOAKNSA-N 431.455 2.306 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc[nH]n1 1136058201 IEZYTUILBUZPAS-SFHVURJKSA-N 447.923 2.300 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)ccc2c1=O 1141493593 GHRQKVOMOIWWBP-PDFOZTTASA-N 443.447 2.445 30 10 IEEE C=C[C@H](C)ONC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1144582317 HCPRZOPFBRUYIG-FZMZJTMJSA-N 437.381 2.471 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 1146222300 YITXGHZIPSXWQK-YKSBVNFPSA-N 432.480 2.049 30 10 IEEE Cc1nnc(S)n1CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1147361343 LROKAKXSLLUGLL-QGZVFWFLSA-N 442.545 2.398 30 10 IEEE C=CCN(Cc1cc(OC)c(C(=O)OC)cc1Br)[C@H]1CCS(=O)(=O)C1 1167734545 NTEKERXIRSREIS-ZDUSSCGKSA-N 432.336 2.419 30 10 IEEE C#CC1(O)CCN(CC(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)CC1 1174883145 PJEQZNBWYVRLLM-UHFFFAOYSA-N 447.601 2.483 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 1231132120 DDNBMJUUGHWEGH-UHFFFAOYSA-N 425.599 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 1255060018 BOCCTALLZQXTKQ-QHCPKHFHSA-N 443.548 2.416 30 10 IEEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(C#N)c(OC)c3)c2)CC1 1264247651 HKNKBLVXZMISRQ-UHFFFAOYSA-N 428.514 2.145 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1286296982 UCRIUDJWUYYMQU-VSZNYVQBSA-N 433.553 2.469 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286348328 JHYAFGPREIZXQE-UHFFFAOYSA-N 441.536 2.049 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286384262 HAYWZDGGAPNKMN-PKOBYXMFSA-N 449.621 2.209 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(CC)CC)no1 1286408560 DBJQTISGLILYMF-KRWDZBQOSA-N 429.546 2.193 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1286412355 ICZFXYBMMSWVEE-SFHVURJKSA-N 435.553 2.248 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1286426033 HIXMSPGLTRYBPK-DYESRHJHSA-N 445.445 2.142 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286462890 ZQHGHKZDUWMDCK-PMACEKPBSA-N 426.565 2.234 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1286581790 NKOMOSPKLIRJAL-CQSZACIVSA-N 439.504 2.356 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286700298 ZCXNSKGMQHLCNS-CEWLAPEOSA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1286789851 YAGFDQKWZDRFNK-RTBURBONSA-N 425.533 2.043 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286791589 WYKUFUHZGFJQNX-UHFFFAOYSA-N 444.967 2.395 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 1292305311 VKCYKZLDTSKGRL-VGMNTSGFSA-N 447.507 2.288 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nc(C)no2)CC1 1295064122 CSABPYVUIGYHRU-UHFFFAOYSA-N 434.504 2.371 30 10 IEEE CCO[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1296984809 XODDPRHZTXPCCN-JVMRMLDLSA-N 430.553 2.398 30 10 IEEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1297535767 VRSIJJSCCVDLDN-LJQANCHMSA-N 446.577 2.104 30 10 IEEE C=C[C@H](C)ONC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1300210627 JHIUMHHUSBBPOU-DCGLDWPTSA-N 445.969 2.357 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300487259 ILEWFQVDWIRNSU-NSHGMRRFSA-N 443.573 2.172 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1300488226 CAHOTAZTQPHWQY-GOSISDBHSA-N 444.557 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCS1(=O)=O 1300519921 AJSFBPFHKCMCKT-UHFFFAOYSA-N 439.585 2.351 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1300642174 NZSKSUWTIPASJN-CALCHBBNSA-N 432.569 2.281 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)Nc2ccccc2)CC1 1300695924 PUNDDDOPJYHHAP-UHFFFAOYSA-N 429.528 2.433 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(CC)C2CC2)CC1 1300723327 RYBPQAQHXJDOBS-UHFFFAOYSA-N 435.576 2.099 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1300869615 NBLDXWCMTHIDRM-ICSRJNTNSA-N 427.553 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1300870257 RQOJOQHNAOKVCP-MJGOQNOKSA-N 432.546 2.170 30 10 IEEE C=CCC(C)(C)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1301158594 JXKPLCDAXOFCFT-JXFKEZNVSA-N 426.583 2.156 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1301260384 YMFVOKKTUABMGF-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1301351506 UXVLLLWINIBWKC-QZTJIDSGSA-N 440.523 2.476 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1301382937 ASLBTAGMXUZPEY-UHFFFAOYSA-N 430.516 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 1301586126 DMRPQZYRBJSEBQ-IBGZPJMESA-N 445.589 2.118 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301596749 XNYCWTLKCBRQBK-UHFFFAOYSA-N 438.598 2.393 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1301952059 GEIDLNRYVRNAFU-HZPDHXFCSA-N 444.511 2.435 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCCC1 1314399437 AOJHDQFKDJDLMF-UHFFFAOYSA-N 437.592 2.494 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1315087561 GBPCGMIHRQFYHV-NRFANRHFSA-N 427.530 2.074 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCS(C)(=O)=O)c1 1315559874 FGDNNQIQGHIQQD-OAQYLSRUSA-N 447.561 2.145 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1358936389 MFSZHLZEHXJQME-LJQANCHMSA-N 431.562 2.266 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358960018 UVLCXGITHLWAGG-XUVXKRRUSA-N 428.558 2.387 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1359002141 PGMIMYZCCPQITE-HSZRJFAPSA-N 439.516 2.395 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1359064801 AFVRTYWVSSGSMU-PKTZIBPZSA-N 442.564 2.275 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1359132899 HUZUGQGHJHZFDH-OAQYLSRUSA-N 443.548 2.152 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1359142267 DIXCIIFDEIHQCY-NSHDSACASA-N 431.896 2.482 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1359272496 UMLJGPAKXZCPTJ-ZWKOTPCHSA-N 430.578 2.441 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359299384 DDKPRFAZFVSMSU-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE CC(C)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1360190937 HZRKFEZOKHYHJQ-DSGGYQJVSA-N 449.515 2.024 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1ccnn1 1360760025 GKDVYKLFZSSDKA-YJBOKZPZSA-N 442.911 2.482 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3cccc(OC)c3)C2)s1 1445603535 ZJZLVDXSQCIZGV-SFHVURJKSA-N 436.555 2.364 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1)c1cc[nH]n1 1467863695 BFPKKNFEANGRKJ-INIZCTEOSA-N 447.561 2.044 30 10 IEEE COc1cc(CCCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1O 1470935534 OBVLQXRPQFCGNE-UHFFFAOYSA-N 425.489 2.140 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1478416805 AXKAISJVGHEWOR-INIZCTEOSA-N 425.411 2.040 30 10 IEEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C1 1493275175 HCNNIEBFENCKOB-OALUTQOASA-N 435.576 2.463 30 10 IEEE COCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC#N)CC1 1504854372 HNDWOHTZCTUMQB-UHFFFAOYSA-N 440.548 2.425 30 10 IEEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1505325808 TXWBFLMRRFFEOQ-GVDBMIGSSA-N 449.964 2.492 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1507608410 IEAUWPGBRUGODC-UHFFFAOYSA-N 443.356 2.261 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507646756 SEHVJZDTFBTYDO-UHFFFAOYSA-N 428.540 2.351 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)C1CC1 1507701837 BTJJACQQGUYMHU-QHCPKHFHSA-N 425.508 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(Cl)c2)CC1 1507738141 KLRFPBTXHWDAPZ-UHFFFAOYSA-N 435.919 2.403 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1508087385 QIKBVTHFPWMPDG-SFHVURJKSA-N 437.523 2.428 30 10 IEEE CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508400448 ZJNOFPLPFIAXRY-QFIPXVFZSA-N 445.527 2.240 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1508704078 GOUQPUZNNHCECF-NOVUIFNWSA-N 428.562 2.066 30 10 IEEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1530404674 ZMEDANNOZBWTAU-QUCCMNQESA-N 434.496 2.375 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 1534257971 QEVAJVDTVXWPHM-RTWAWAEBSA-N 431.558 2.423 30 10 IEEE CN(CC(=O)N1CCN(c2ccc(C#N)cc2)CC1)C(=O)c1ccc(Br)o1 1535242331 FBVSJJFYNCDYIX-UHFFFAOYSA-N 431.290 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1538974012 QPXVDJUHFAZQSE-QWHCGFSZSA-N 425.555 2.256 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccc(C)cc1 1539296628 RYDAWTGDZNYQEB-RTBURBONSA-N 427.574 2.463 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1539362377 ZAPBQHXIQKYLLU-DEOSSOPVSA-N 447.543 2.003 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1nc2cccc(Cl)c2n1C 1539409052 MRSMPPSCCDNYPG-UHFFFAOYSA-N 436.907 2.410 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1539539723 XSMRGSFHLFIJRG-UZUQRXQVSA-N 441.507 2.408 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539580995 UCCCQLLCINLSQM-ZFWWWQNUSA-N 447.293 2.477 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1539916600 LOSQENMEPOBFNV-SJORKVTESA-N 433.582 2.216 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1540086803 BTAKYGGGOMOKET-IRXDYDNUSA-N 432.594 2.391 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540873482 YZBAIERHRJZYFX-UHFFFAOYSA-N 446.577 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1540902765 PRTFZJUUAZCMKR-QZTJIDSGSA-N 447.536 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](CC)O[C@H](C)C1 1540904224 KDZWZULTTQFQIQ-MJGOQNOKSA-N 448.589 2.482 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1([S@](C)=O)CCC1 1541470054 BRCURGBWFVTXOB-HKBQPEDESA-N 441.605 2.371 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1545123712 TZQPTPZQUMQFFR-MGPUTAFESA-N 429.456 2.016 30 10 IEEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(F)(F)F)CCOC1 1547897245 RXGOKGGQUKZNHF-SFHVURJKSA-N 438.410 2.027 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1552683017 GDZXJBICDZCSFM-QGZVFWFLSA-N 435.488 2.197 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1554420300 CPGWOIFRUSPKPR-IBGZPJMESA-N 432.532 2.178 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)cc1OC 1554843472 BHRQXPXZWKKXGP-UHFFFAOYSA-N 436.472 2.177 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C[C@H](C)O1 1555405470 LEBZNVNZGJVLGU-UWJYYQICSA-N 439.516 2.316 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)s1 1557109171 VBFKMYAZWNXXEO-QUCCMNQESA-N 445.610 2.488 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C2)nc1 1558464634 KNZPZFGRGONSDV-LLVKDONJSA-N 425.923 2.032 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCOc2ccc(C(F)(F)F)cc2)c1=O 1559448943 WOBPNAKKMINPKE-UHFFFAOYSA-N 439.390 2.321 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)cc21 1563314932 AURIFAMFCLNXPH-UHFFFAOYSA-N 444.517 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 1583418206 KANVOKBVBHQEIT-UHFFFAOYSA-N 425.485 2.049 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)C1 1587184877 CODQAIYTWUWWIW-QFIPXVFZSA-N 439.537 2.488 30 10 IEEE COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(CCC#N)CC3)ccc2C)cc1 1587541461 DXIYHGFXJHZAOH-UHFFFAOYSA-N 442.541 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1587561060 ALDKEALGKCEWEQ-QWHCGFSZSA-N 425.555 2.256 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588214397 RWESLEMYHGJOLJ-UHFFFAOYSA-N 447.490 2.302 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1cn2ccccc2n1 1588673699 XKRDGUVXTFNVDE-UHFFFAOYSA-N 432.532 2.116 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(C)c2C)CC1 1588908612 TWMQBMHAYQHCEO-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1589068803 FUAOOMPSPVXRFZ-GOSISDBHSA-N 430.599 2.150 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)CC1 1594202151 GAAVBDRFHYDZQR-HSZRJFAPSA-N 433.597 2.443 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2CC)CC1 1594236947 KQSFRNKPZZSUNK-KRWDZBQOSA-N 446.621 2.489 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1594961584 CLVXIBGIGXDRAS-KDOFPFPSSA-N 444.479 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2)N(C)C)C1 1595745626 UNAYSNHNPUPAAB-NHCUHLMSSA-N 438.576 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(OCC2CC2)CC1 1595784511 HQKKEDTYPFSVJD-UHFFFAOYSA-N 433.578 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1595806065 ZYARELYSDIJJKT-UHFFFAOYSA-N 445.589 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H]1CC 1595812550 XWISYSOMMUEEQX-SFHVURJKSA-N 428.562 2.496 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1Cn1cccn1 1596840335 DMOOBTOVSNLUGJ-SFHVURJKSA-N 432.532 2.289 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2c([nH]1)CCCC2 1597578624 AYJRDBCKHVJSGY-QGZVFWFLSA-N 429.546 2.058 30 10 IEEE C#C[C@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1618915975 IKSVQRCUVAHDDV-SFHVURJKSA-N 432.590 2.211 30 10 IEEE C[C@H]1CN(CCN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1620322834 RTIHOLABEZEFFM-HDICACEKSA-N 435.532 2.322 30 10 IEEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@@H]1CCC[C@@H]1C#N 1620487734 CMRSRGSGIKMZAN-UYAOXDASSA-N 430.574 2.374 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCn3ccnc3)Cc3cnn(C)c3)n[nH]2)c1C 1623740991 FWQWNRUTVCQHLY-UHFFFAOYSA-N 433.520 2.349 30 10 IEEE O=C1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CN1CCC(F)(F)F 1624360139 PAWCHKOKUGZECJ-UHFFFAOYSA-N 438.275 2.026 30 10 IEEE COc1ccc(Br)c([C@H](CO)N(C)C(=O)CNC(=O)c2ccc(C#N)cc2)c1 1624558530 BOXJGXISQUUVPA-SFHVURJKSA-N 446.301 2.251 30 10 IEEE COc1cccc(/C=C(\C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)n2nnnc2C)c1 1626962191 AYFMRBGQLSIDFM-JFLYLQGUSA-N 430.468 2.460 30 10 IEEE COc1ncc(NC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 1627437550 FWUOTZROBDAQOC-QGZVFWFLSA-N 430.509 2.121 30 10 IEEE C[C@H]1CN(Cc2ccc(CN(C)C(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)C[C@@H](C)O1 1628164061 KYBGYXKSJZFSDY-CAMQCACHSA-N 440.544 2.171 30 10 IEEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1630190362 GBSKXPOCJSOOKM-INIZCTEOSA-N 438.550 2.036 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1)c1cc[nH]n1 1633377551 WTYIAFJQJPZYPT-OAHLLOKOSA-N 442.394 2.216 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1635802558 RYZFGMAORQNSSA-UHFFFAOYSA-N 431.539 2.368 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640198911 AHHOFZJOANENOP-SQNIBIBYSA-N 440.500 2.390 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3C[C@@H](N(C)C)C3(C)C)nnc12 1641661351 UFVXMQRYUFSHPH-DLBZAZTESA-N 440.573 2.167 30 10 IEEE C[C@H](CC(=O)N1CC[C@H](N(C)c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1642375589 DEJKOLBTGMUQNN-AEFFLSMTSA-N 426.542 2.241 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCC)[C@H](O)c1cccnc1 1642606274 FXZURYQZPDXMFQ-HRCADAONSA-N 441.912 2.199 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1642765468 QAEUVFMMQQKPFR-SFHVURJKSA-N 444.509 2.417 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1643765064 GDIQTRBFKQCZBK-SJORKVTESA-N 427.471 2.298 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)cc1 1644461617 GSXNREBUNSOXBM-UHFFFAOYSA-N 449.536 2.063 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCC1(C#N)CCCCC1 1645582572 YYALSVXBYLEZJE-GVDBMIGSSA-N 439.578 2.247 30 10 IEEE O=C(Cc1nc2ncccn2n1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039694 SFVQWJIRNNPMMB-HTQZYQBOSA-N 429.271 2.296 30 10 IEEE C[C@H]1COCCN1C1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1664358156 AMTGIVPUQXJYJI-ZDUSSCGKSA-N 428.352 2.195 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)CC1 1665310541 FZHDZBFKJPLSQE-UHFFFAOYSA-N 436.578 2.335 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1671751478 ZESKCVMBMXOUKP-OAQYLSRUSA-N 447.601 2.394 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ccc(C#N)nc3)CC1)CCS2 1676614029 JWIKPRKAMBAZQB-ZGOJQLDESA-N 429.546 2.002 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(CO)(c3ccccc3)CC2)C1 1681226273 DPSNEHDOKUYTPQ-HKUYNNGSSA-N 428.533 2.481 30 10 IEEE C#CCCCn1c(N(C)Cc2ccc(S(C)(=O)=O)cc2)nnc1[C@@]1(OCC)CCOC1 1689941365 NRXPCCRXIVOKEH-JOCHJYFZSA-N 446.573 2.384 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1689963930 AWNJNRBORXZTEB-INIZCTEOSA-N 446.573 2.245 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1690011773 CONDEFJTSLZQFX-GOSISDBHSA-N 437.548 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1690048200 FSEXJMXIQGPGDE-WZONZLPQSA-N 445.564 2.210 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1690075918 XTCPXIWLUYKECS-QZTJIDSGSA-N 433.553 2.268 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1690087496 ZYHJIEIWAVDZEM-IYBDPMFKSA-N 428.541 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690668795 JLIDFOWRHUZPSK-MRXNPFEDSA-N 434.422 2.496 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(N)=O)c1 1691870584 FEKRVEQCGYNXKL-UHFFFAOYSA-N 430.516 2.142 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1693217817 CPYSRKPNVOLGCX-LAUBAEHRSA-N 447.536 2.432 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC=CCO1 1698058938 OYOZOWUQZCLYNZ-GOSISDBHSA-N 445.545 2.060 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)O 1698165119 OIEPRZCXXPHNDD-MRXNPFEDSA-N 446.527 2.110 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1 1705625186 ZMSAUWITAUBSDH-IBGZPJMESA-N 428.556 2.196 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCC(N)=O)CC1 1705655251 JBNBCSABDZNASB-UHFFFAOYSA-N 433.965 2.436 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705667227 KOKJGRGATOYNGG-MRXNPFEDSA-N 431.522 2.442 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1705681281 QUNZVNOJYLKEKO-CQSZACIVSA-N 442.358 2.017 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705771392 RJNIZIAHIYHPME-SJORKVTESA-N 431.562 2.478 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCS(=O)(=O)N(C)C)CC1 1705772374 OGMIBARTKNGNBO-UHFFFAOYSA-N 433.578 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705932166 NTHYZQKZQURYTH-DZGCQCFKSA-N 445.467 2.097 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710295222 DKZKOFIRIRUKDS-JPYJTQIMSA-N 440.571 2.364 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1711456014 GSJRFFHLEMKJGW-IBGZPJMESA-N 438.532 2.214 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722322900 XNWOXJHDVRVKBO-GOSISDBHSA-N 437.548 2.327 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1722348934 RYXHVKNTPBKDSV-UHFFFAOYSA-N 427.524 2.424 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722363808 VSMWKOOASAGAOE-INIZCTEOSA-N 444.948 2.007 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CC2)C1 1722454891 OAZONMWPRJANJX-UHFFFAOYSA-N 446.598 2.332 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722737793 RGUHKQYBNBXQGN-IEBWSBKVSA-N 429.594 2.201 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1724366708 DXXQRPWCCIBQCQ-HSZRJFAPSA-N 431.500 2.182 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1730274733 BKELJDMCKKAHGN-GUDVDZBRSA-N 440.548 2.182 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1c1cnn(C)c1 1730932538 HZISZBTXYRYQFZ-GNBUJSLZSA-N 442.568 2.000 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1CCN(CCN(C)C)CC1 1740630761 LRWZJSMPWWBNDJ-UHFFFAOYSA-N 434.588 2.300 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740666967 KZBGPUFFTUULTJ-UHFFFAOYSA-N 430.560 2.385 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1740671406 GNPCQAORROTMLH-ROUUACIJSA-N 433.553 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1740707212 UDYZLUIZUUMHFQ-GGAORHGYSA-N 448.571 2.211 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C)=C(Br)C1 1740952631 JUVCQAPFGLUSER-AWEZNQCLSA-N 442.358 2.183 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740965787 SOJFKXRFWFGJMG-JOCHJYFZSA-N 440.573 2.040 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1741001729 CFHRNBREXIIPRY-SFHVURJKSA-N 447.630 2.426 30 10 IEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nncn1C 1741470247 HEMMRIJLUSIIET-UHFFFAOYSA-N 433.564 2.237 30 10 IEEE CC1(C)CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1741998325 GFRSKTWKVWIRKQ-AVRDEDQJSA-N 448.637 2.432 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)C1 1746584272 YJAHINUIZKXJAL-LJQANCHMSA-N 442.520 2.195 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1748730039 CJZARROGSXNYIP-UHFFFAOYSA-N 427.578 2.015 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1 1748751785 MGNKZHCVEFXEHJ-MOPGFXCFSA-N 428.558 2.499 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818227 XTWZZDBCPSFVDP-NHCUHLMSSA-N 441.601 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CCC(C)C 1748835887 LYFOYPQREREXIY-QHCPKHFHSA-N 432.532 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748880489 XWVSIOJBZNYPKB-UHFFFAOYSA-N 436.516 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(N(C)C)CCOCC1 1748894726 BWYJUBLYARUJHH-UHFFFAOYSA-N 435.572 2.451 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1749001168 KPDUEDFAYNZBAR-ICSRJNTNSA-N 440.592 2.306 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1749026156 GRROCWYBCYZAAZ-MRXNPFEDSA-N 443.573 2.421 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749027652 QVOCBQXRVIHSNN-FQEVSTJZSA-N 427.574 2.215 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749281930 PLVBVSGUEBLYQV-FFZOFVMBSA-N 426.945 2.455 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1749336224 GXOJNHBUSUURQD-IBGZPJMESA-N 426.613 2.355 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1749368089 ARMJECBVJQOPBR-KRWDZBQOSA-N 425.599 2.450 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749630490 SEEGGGYVOZYACV-UHFFFAOYSA-N 425.505 2.241 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749660487 QULVEXLEQBLFOM-LJQANCHMSA-N 430.516 2.366 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749677329 WASIAKXXXHPWIW-QGZVFWFLSA-N 427.549 2.378 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1750084095 KLXDJSNHYGTBSX-UHFFFAOYSA-N 442.520 2.148 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1750456319 BCVJXLKCXFYLSR-IBGZPJMESA-N 448.531 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1760114591 PEGCHEIJJMCQIA-AWEZNQCLSA-N 446.515 2.405 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC#C)CC1 1760157738 ACEPGOWMBUVAMH-UHFFFAOYSA-N 430.512 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1c1cnn(C)c1 1760204053 AVYZSJRLESIZSG-OAQYLSRUSA-N 443.555 2.353 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(F)c(Cl)c1 1760206507 BQBPXPVKHHPXAD-UHFFFAOYSA-N 429.883 2.345 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)no1 1760219218 XXZOPOKWVOSORU-UHFFFAOYSA-N 430.516 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760223903 QIXLBWMMBLAFPT-FGZHOGPDSA-N 437.592 2.102 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760358428 VZZQEYFRCXUWON-FPOVZHCZSA-N 446.640 2.448 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 1760387497 ONFWXHRBOLVWLF-SFHVURJKSA-N 429.546 2.250 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1760445667 RPPDLVODNWSHKF-IAGOWNOFSA-N 449.577 2.269 30 10 IEEE C=CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568295 DZCCOGUGNRLLQJ-NJNPRVFISA-N 449.621 2.295 30 10 IEEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1761102729 ACYKWXHWEPBGMW-QURGRASLSA-N 449.515 2.347 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1761543296 SWBQVZYMVPFSCC-QFIPXVFZSA-N 441.536 2.298 30 10 IEEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1761996722 VVEKAQMYBQXCMZ-KTVWJZFRSA-N 449.515 2.430 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F 1763201000 DSLXUFDYRVZPPY-SFHVURJKSA-N 435.463 2.145 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1767736988 DSGGMPHTQHVCME-UHFFFAOYSA-N 432.532 2.374 30 10 IEEE CCOCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1767752971 BPRRQEQEWVEAJX-JOCHJYFZSA-N 426.496 2.427 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1768257214 ROVVDDJIPCKXEB-UHFFFAOYSA-N 434.566 2.339 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CC#N 1768265332 NKJSRUJTSXPAQG-AWEZNQCLSA-N 439.973 2.403 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC[C@@H]2OC)cc1 1768732932 AKDXPZAKKIIWPS-BPXKWBHBSA-N 445.495 2.359 30 10 IEEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1769651650 LTFOSIAICLOMRY-UHFFFAOYSA-N 437.548 2.139 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CCN1S(C)(=O)=O 1770661200 HSJDBHMJPGXYQR-YJBOKZPZSA-N 446.602 2.182 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1770877414 ZOCPQUBCCFCOSI-UHFFFAOYSA-N 449.515 2.447 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1771327456 ZFFNORWIFHHOKM-OAQYLSRUSA-N 440.548 2.066 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)C1 1771346120 OVIHQRGRHJIYKA-VQIMIIECSA-N 429.546 2.257 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCCO)CCO2)c1 1771531787 COIBBNYOTYUGRO-UXHICEINSA-N 438.532 2.231 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)CCn3nc(-c4cccnc4)ccc3=O)CC2)n1 1849385106 BPFPGVAWVCSNIH-UHFFFAOYSA-N 444.495 2.280 30 10 IEEE N#C[C@H]1CN(CC(=O)N2CCN3C(=O)c4ccccc4[C@]23c2ccc(Cl)cc2)CCO1 1851246924 VYXBKFBBJBPFPI-FDDCHVKYSA-N 436.899 2.063 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCn4c(C(=O)c5ccccc5)ccc43)CC2)n1 1851872258 QKPHINKJWMRPCB-LJQANCHMSA-N 426.480 2.217 30 10 IEEE Cc1nnc2c(N3CC[C@H](NC(=O)c4cccc([C@H](C#N)c5ccccc5)n4)C3)nccn12 1852612284 JQLNFYOQCNEJIX-RBUKOAKNSA-N 438.495 2.492 30 10 IEEE Cc1ccc(C)n1[C@@H](CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(C#N)cc1 1852939915 GLWZEYCWIRRCDM-RXVVDRJESA-N 428.558 2.448 30 10 IEEE COc1ccc2nc(N3CC(C(=O)N4CCC[C@@H](N(C)CCC#N)C4=O)C3)sc2c1 1854306722 USFDHVLRYYTDTJ-QGZVFWFLSA-N 427.530 2.104 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cccc(Cl)c1 1854557056 AHFXHXAPOVQXCP-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C2(CCCC2)C1=O 1855618633 SYJVMXODWFDIPH-UHFFFAOYSA-N 443.447 2.432 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C2)C1 1857469305 SHJBIKUBZCEZRR-TZMCWYRMSA-N 428.386 2.072 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569922 YCCLXZBOQOQLOY-IBGZPJMESA-N 429.425 2.076 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862601218 ZDKROWHRBJHENK-JOCHJYFZSA-N 449.507 2.489 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862745524 KUSUIVUSQHZRTM-KRWDZBQOSA-N 443.368 2.169 30 10 IEEE C=CCNC1=C(c2ccc(OC)cc2OC)C(=O)N(C[C@H]2COc3ccccc3O2)C1=O 1863757784 GKVJLLOPCWSTGH-INIZCTEOSA-N 436.464 2.399 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(OC)c(OC)c1 1864779766 ZRYOZMVKNWRVQO-CYBMUJFWSA-N 438.406 2.453 30 10 IEEE CCc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873527125 MIZOLBDMOWEUCZ-MRGVZLDZSA-N 439.335 2.374 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2OC)cc1 1874292752 OYBCAUGFMDSXQW-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE COc1cccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1 1874295823 WGNXKBVESHXEQE-SRZZPIQSSA-N 426.458 2.245 30 10 IEEE C#CCOC1CN(C(=O)[C@H]2OCC(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)C1 1891707892 YBYGGYOKRVRCLJ-GOTSBHOMSA-N 426.513 2.157 30 10 IEEE CC#CC[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 2009944167 PJQSPVBNRVKWOA-JPYJTQIMSA-N 429.517 2.139 30 10 IEEE CC1(C)OB(C2=CCC[C@H]2NS(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2020068676 UNGIUBNHVKRATD-LJQANCHMSA-N 434.367 2.442 30 10 IEEE CC(=NO)C1CCC(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164486809 HVMAPBVYWKXGQT-NODKNVJMSA-N 439.509 2.339 30 10 IEEE C#CCN(CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O)C(=O)OC(C)(C)C 2237387031 OXXNDIVQCLURFA-HNNXBMFYSA-N 439.306 2.431 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247844371 AXPOYADCYGXGJC-NSHDSACASA-N 442.753 2.016 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H]2COC[C@H]21 2254645339 LMAULULZLSABER-ZACQAIPSSA-N 432.326 2.394 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCCN1C(=O)OC(C)(C)C 2255634155 MXBXTXWDLALIBB-UHFFFAOYSA-N 434.346 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](C#N)C1 2255640354 XMAGIVXICYZMHY-CYBMUJFWSA-N 448.354 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C#N)C1 2255817962 DKRWLXJHENWYBJ-HNNXBMFYSA-N 431.298 2.164 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255825687 DFBNBMPMHOQAGL-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2264257086 UWKGZMDMQNLIRJ-JXALWOEJSA-N 440.544 2.249 30 10 IEEE Cc1cnc(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267115124 GQHHABVJPKXCNB-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267139134 BPLWKWPSTWVZLT-LZWOXQAQSA-N 446.357 2.084 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 2267181553 UCNKUCCWQXJGNE-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267188586 OGKVOZWOUXWKQW-QUCCMNQESA-N 436.365 2.066 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1 2267229063 SHMMGOOKYKDMAX-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267522564 XUIJPKXPKCJVOV-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267550517 ANQYSYYKIVECAO-QWHCGFSZSA-N 444.259 2.498 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(O)cc2O)OC1(C)C 2267803859 MZQWBRNLELBRFV-KRWDZBQOSA-N 438.333 2.401 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870874 JDNVXEZZVXFVMB-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CC(C)C[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267875651 HWLBRCCVLIKDSR-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267878884 CSGLOXAAHVMOLE-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE COc1[nH]c(=NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2317502280 YRHUBMZIUQHYSS-ZIAGYGMSSA-N 431.342 2.089 30 10 IEEE COc1cc(C=NN(CC(=O)O)CC(=O)O)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2322992110 YXGWUKLQGQUXBF-UHFFFAOYSA-N 431.401 2.296 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)cc1 2329262904 NIWNZLDPRJAKNG-UHFFFAOYSA-N 439.497 2.108 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337197817 BLXBZEGWQILNSF-GOSISDBHSA-N 438.381 2.456 30 10 IEEE C=CCN1C(=O)N[C@H](c2cc(OC)cc(OC)c2)C2=C1CN(CCN(CC)CC)C2=O 4345036 PVNWCGVVVXVCIZ-OAQYLSRUSA-N 428.533 2.394 30 10 IEEE Nn1c(N/N=C/c2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20528052 PZMWFUAJWUUWIU-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE N#C/C(c1nnc2n1CCCCC2)=c1/s/c(=C/c2cccnc2)c(=O)n1-c1ccccc1 33602297 ANMFHLGPDKQKOH-ZXFNSSOYSA-N 440.532 2.163 30 10 IEEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 59309906 NNSBRZUJPWCMIZ-QGMBQPNBSA-N 429.466 2.240 30 10 IEEE C[C@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccncc3)ccc2O1 135646438 PCUPJZYQNCNYIZ-NZXCCLHUSA-N 449.507 2.159 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C3CCC3)c2=O)cc1[N+](=O)[O-] 431039310 HMFXVUJZLFASNK-UHFFFAOYSA-N 427.482 2.280 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CC1 443333845 KQHCCJRBNSYANA-UHFFFAOYSA-N 435.484 2.484 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)cc1 468969074 NYBLWMPGLXJJOQ-FQEVSTJZSA-N 435.484 2.119 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N(CCCN2CCOCC2)Cc2ccncc2)c(F)c1 481053202 FMUOYDKLPMOPBN-UHFFFAOYSA-N 432.521 2.147 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 505655255 FDKVNUCHLUNGHO-RTBURBONSA-N 426.542 2.262 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 508477634 MHALHLYQNBYGBH-IBGZPJMESA-N 429.496 2.224 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 508892113 BNKKKXKOAZRDAT-UHFFFAOYSA-N 448.527 2.430 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)CC1 512718251 KTQKLUMMOKTWCH-UHFFFAOYSA-N 438.576 2.432 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 514522260 JEMDUUUDQLHSNY-MRXNPFEDSA-N 435.480 2.009 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)c1 522387258 GFVGJPBWXJGFDQ-UHFFFAOYSA-N 445.544 2.428 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1Cc1ccon1 531684181 OMCCUPXSSBFCJO-UHFFFAOYSA-N 425.897 2.472 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 532914384 AXUOYZATGQRPFA-LVIWNVNYSA-N 432.590 2.312 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 533765069 CIHRWSXKAXMYJY-UHFFFAOYSA-N 446.960 2.242 30 10 IEEE Cc1sc2nc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc(N)c2c1C 538967131 YHYQECAJWDEJKJ-UHFFFAOYSA-N 442.570 2.269 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542959878 XTYOKXXCQQADRA-CYBMUJFWSA-N 436.925 2.190 30 10 IEEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCC(=O)N(C)C)CC1 549683823 RTUPVPHYWZSSLB-UHFFFAOYSA-N 435.576 2.458 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 552153828 JKRFNXGRCXTFIN-IBGZPJMESA-N 436.497 2.239 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C(C)C 570975445 MIMMGIQKALNUHB-GOSISDBHSA-N 437.541 2.351 30 10 IEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 576371277 DDFYGMXLRFJRBL-KRWDZBQOSA-N 436.520 2.274 30 10 IEEE CN1CCC[C@H]1[C@H]1COCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 590400369 FWRIXSRQTSSYKX-RBUKOAKNSA-N 439.516 2.344 30 10 IEEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 609088928 HELIZAJHYFTDNW-UHFFFAOYSA-N 448.348 2.158 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1-c1ccccc1 611916213 TXAWPGQPGLKBIS-UHFFFAOYSA-N 440.528 2.475 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(Cl)cc1 727416363 MLSHPOPGBZSEGH-UHFFFAOYSA-N 427.913 2.421 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CCN1C1CC1 732663931 HRMWNBGMMWDFIA-QGZVFWFLSA-N 430.555 2.039 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nn(-c2cccc(Cl)c2)c(C)cc1=O 744145212 PEPONJPFFDGXDU-UHFFFAOYSA-N 442.884 2.493 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)CC2)o1 745232616 FGUAYJRFRASIII-HUUCEWRRSA-N 430.411 2.128 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2N)cc1C 750412183 ZUJHTQVOVCBTRN-UHFFFAOYSA-N 429.498 2.393 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)OC)c1 766166016 WUFRHKZKQUXCQZ-IBGZPJMESA-N 428.510 2.268 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCN1C1CC1 767933787 BBJSFPNMNSXCQS-RDJZCZTQSA-N 435.450 2.188 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 778056615 NYXXNQATXOZXJU-MAUKXSAKSA-N 435.546 2.235 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2ccc(I)cc2)cc1 780217207 HWPVQZSRDJJKJK-INIZCTEOSA-N 436.205 2.378 30 10 IEEE N#Cc1ccc([C@H](OC(=O)c2cc3c(cc2Br)NC(=O)CO3)C(N)=O)cc1 782403296 ZOQRHXVUSHGCMF-INIZCTEOSA-N 430.214 2.035 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 782580832 BBROMKFMQAPLPW-UHFFFAOYSA-N 428.242 2.130 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc2c1=O 789889994 PJKCAAVIYLWREB-UHFFFAOYSA-N 432.509 2.100 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)NCCCC)CC2)CCCN1C(=O)OC(C)(C)C 790139111 LISWXOOAAPLFOP-QHCPKHFHSA-N 436.597 2.393 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)OCc3ccccc3)n2Cc2ccccc2)CCO1 802220824 VSNRQCIHSUBIOI-HXUWFJFHSA-N 432.484 2.482 30 10 IEEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)cc1F 802343631 UIKMJTYLDYTAEM-KRWDZBQOSA-N 438.463 2.126 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1 803196872 YTRUDINAYRPZQT-XLIONFOSSA-N 436.541 2.195 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 809885673 KQSPTWVFBDGQPK-KRWDZBQOSA-N 448.568 2.077 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cc1 812868804 NTDBRQPKTPHKEX-KRWDZBQOSA-N 437.518 2.082 30 10 IEEE C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=S 874068114 HWKADSAZUTVKNN-GOSISDBHSA-N 428.562 2.190 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 914720609 NMAOFJLSMZPHNX-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cn1 1084613486 NOCWJPDFZZZRFA-UHFFFAOYSA-N 435.464 2.224 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1124276384 LAVMUDKRFDNWLL-SFHVURJKSA-N 443.935 2.005 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 1143100935 BQCPPGIACZQENC-HNNXBMFYSA-N 430.486 2.213 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1286297236 VBTNHFUDBYDDLP-ROUUACIJSA-N 443.552 2.331 30 10 IEEE C#CCCCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1286334018 CUSOHVQAZFACGJ-YKSBVNFPSA-N 445.608 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1286403367 ITKCIOTVTVXSFI-UUOWRZLLSA-N 438.528 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(-n2cncn2)c1 1286422046 ISLRHCPSXFONLN-DEOSSOPVSA-N 445.527 2.022 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286508507 SVPFFJSTBCXWGK-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOCC)CC1 1286561790 OZBRTBUQDHUDBF-LEWJYISDSA-N 426.565 2.480 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286582578 ZWMVYBYGBNVBNT-SFHVURJKSA-N 433.578 2.483 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286632114 GAKQUUALFOENCT-MRXNPFEDSA-N 435.923 2.393 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286744839 PAHANYRDCPCUOM-LJQANCHMSA-N 446.573 2.262 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1286750655 FGWGRDCJDXAMBT-BHIFYINESA-N 444.624 2.001 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2OC)C1 1286809805 VUFBSGYDMOHUKM-ROUUACIJSA-N 427.505 2.076 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286828193 INLYAMIPNWGSCX-QGZVFWFLSA-N 441.605 2.048 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc(-c2c(F)cccc2F)s1 1287632771 RDZCDDVSMKRCFO-UHFFFAOYSA-N 435.437 2.161 30 10 IEEE C[S@@](=O)C1(C(=O)NCc2cccc(OCC#N)c2)CCN(C(=O)OC(C)(C)C)CC1 1293361118 FTVXNTMEQPKPGH-SSEXGKCCSA-N 435.546 2.353 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1293859703 KTHZQXBAUYANML-HZPDHXFCSA-N 446.502 2.428 30 10 IEEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1298903656 ZFOOIGAPPLIXDY-CMPLNLGQSA-N 445.833 2.312 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(CC)CC)c1 1300332744 MOIQDHAQBFNJBK-GOSISDBHSA-N 448.575 2.465 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300358571 YUVAXHBLQLWSQJ-SIKLNZKXSA-N 437.592 2.456 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1300449755 XBMLYTNYYMEQIQ-INIZCTEOSA-N 432.546 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1cc(C)oc1C 1300528536 YGGPBETZOWRQCQ-HSZRJFAPSA-N 435.484 2.196 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(C)CN(C)C1=O 1300561410 QEEFJXZPAGGQGW-JOCHJYFZSA-N 427.455 2.488 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301249909 ZZHXWDSFTVNKOZ-UHFFFAOYSA-N 435.532 2.234 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOCC1 1301351173 LTVBZICLDMRQBG-HXUWFJFHSA-N 442.539 2.283 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301497399 VLAIFXFOARVECK-QGZVFWFLSA-N 435.532 2.033 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1COCCO1 1301808965 JRIVIRWRAVGQEB-GUDVDZBRSA-N 435.569 2.369 30 10 IEEE CCOC(=O)[C@@H](CC=C(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1302760591 OEPHWNDKRSCJEH-HXUWFJFHSA-N 447.557 2.363 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCCOC(F)(F)F)cc1 1302988926 DVJKFRYGHCIIKX-OAHLLOKOSA-N 436.394 2.384 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1c[nH]c2ccc(F)cc12 1303411411 NQPMVTYZWOUTOW-MRXNPFEDSA-N 425.468 2.008 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1303872735 XZLGATVNYLJZSO-GOSISDBHSA-N 449.573 2.420 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C 1305078453 HVRQOJNLZLYGPV-DLBZAZTESA-N 443.573 2.239 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 1306012685 ADAQRTATONPWEI-LYLBAIIYSA-N 441.509 2.024 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1312921347 KPCVLKIHYXJVTK-SFHVURJKSA-N 442.516 2.304 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1316258066 WQZRFPGAYUVRRE-LJQANCHMSA-N 436.520 2.340 30 10 IEEE CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)[C@@H](C)CC#N)CC1 1350690986 ZAJFAZBCEOUDST-KRWDZBQOSA-N 435.594 2.347 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 1352683463 XFFBYYMIGBQPJQ-PYJSORCASA-N 431.477 2.488 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)cc1 1358122938 GRMFFRADJFGGCB-UHFFFAOYSA-N 435.527 2.271 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1358901650 RUFAKABOIGIMTB-RXVVDRJESA-N 448.527 2.381 30 10 IEEE C#CCCCn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1358935849 VGHAGAVTTHMYGU-QFIPXVFZSA-N 433.553 2.401 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCS1(=O)=O 1358954175 XURSCAUAADGAEC-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358965890 DCILESJVZGRWEL-KBXCAEBGSA-N 431.562 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1358980229 OCQGIBBCECIDST-JOCHJYFZSA-N 444.539 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358991435 AVGRKDOBZKCNJS-IBGZPJMESA-N 425.496 2.251 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 1359058555 HVFKITNTORDJRV-UHFFFAOYSA-N 440.617 2.179 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOCC)CC1 1359100741 FYJHBNHGQYXTPV-FYYLOGMGSA-N 440.592 2.404 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1359116591 QWXGIQBQOLIBJY-IYBDPMFKSA-N 441.598 2.496 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1359126067 DMVSSCHRFVZCNN-MRXNPFEDSA-N 443.614 2.265 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1359133995 HGDGWEFRHWSMPS-UHFFFAOYSA-N 432.613 2.250 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H](C)CC(N)=O 1359294881 HZIMBJOUAZFICD-CYBMUJFWSA-N 449.353 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C1CC1 1359332015 MQLMUJQQSFMXQW-GOSISDBHSA-N 447.536 2.138 30 10 IEEE C#CCN(C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1359871772 QFJRVDZMEZDBPH-KRWDZBQOSA-N 432.542 2.242 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(NC(=O)N(C)C)cc1 1360161241 AKCROPZLGGQQBM-HNNXBMFYSA-N 426.525 2.296 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1360483629 ZMHMXYWRFSVDOV-NXOAAHMSSA-N 434.541 2.203 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1446434861 BNCCFTWFKWJMOR-GRGHCRNGSA-N 446.592 2.483 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CCCCC#N)CC[C@H]32)CC1 1451453645 VXFSPQWDOFLMTE-ZWKOTPCHSA-N 433.553 2.465 30 10 IEEE CC1(C)OB(C2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)OC1(C)C 1455327521 ODIFOTGRLFYOPZ-CHWSQXEVSA-N 425.278 2.294 30 10 IEEE C=CC[C@]1(C(=O)NCCNc2cc(C)nc3ncnn23)CCCN1C(=O)OC(C)(C)C 1465585821 DZIPIJITIQEDQS-OAQYLSRUSA-N 429.525 2.307 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)CC2)cc1 1470630417 BGSDELSHLDJDQR-RTWAWAEBSA-N 438.528 2.189 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)c1ccccc1 1470662670 JPNJIHMSQTZGFT-MOPGFXCFSA-N 428.533 2.423 30 10 IEEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 1471630255 RLAONYYNCQDGRF-UHFFFAOYSA-N 446.617 2.315 30 10 IEEE CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1471990597 NJFGLGMURNPWNW-KRWDZBQOSA-N 448.589 2.191 30 10 IEEE N#Cc1c(CCCNC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)nn(-c2ccccc2)c1N 1472486086 APNJCNPQTDOQKN-YLJYHZDGSA-N 439.516 2.076 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H]1C[C@H](F)C1 1503109770 QBODJKKMWCWDIG-ULQDDVLXSA-N 428.516 2.330 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1503811364 SHTAOEWGLIRPRL-LJQANCHMSA-N 433.520 2.003 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)C1 1505142684 GLIRXZVGFMDONB-AWEZNQCLSA-N 442.467 2.145 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)c2ccccc2)CC1 1507737820 GBFGEQMYRVQZSR-WIYYLYMNSA-N 448.571 2.389 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1507773595 UPIAROFENZJBFG-HRAATJIYSA-N 432.521 2.368 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1507883741 HRRQIBDNBURTBY-GOSISDBHSA-N 429.546 2.032 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1COCCO1 1508037230 KSTSSPIXKUNFNT-OAHLLOKOSA-N 440.342 2.480 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC1CC1 1508076030 XKCRNDWUFBXYDV-UHFFFAOYSA-N 445.593 2.085 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCCC2=O)c1 1508426657 HNQBCWYPDGWHAS-KRWDZBQOSA-N 435.532 2.171 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1510288758 PPMIHXLWSFACAT-UZUQRXQVSA-N 448.506 2.348 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1516952148 BFMCQCUBYNAEAA-LJQANCHMSA-N 432.532 2.413 30 10 IEEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCNC(=O)C2CCC2)C1=O 1517400926 BTDLIERVJOKEQE-XMMPIXPASA-N 449.559 2.038 30 10 IEEE N#Cc1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1Br 1529124941 RBQYKVGSPFIZNA-UHFFFAOYSA-N 429.186 2.464 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1539219463 KDNBIBWVYQRFBR-GOSISDBHSA-N 448.564 2.307 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1539220493 JXHIZRYKSSHRBH-MOPGFXCFSA-N 446.548 2.295 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNC(=O)C(C)C)CC1 1539460144 XZYODFCCSNPNMT-UHFFFAOYSA-N 438.576 2.001 30 10 IEEE CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(C(=O)OC)c1F 1539939414 YWRKLOZJEDDERE-UHFFFAOYSA-N 449.460 2.455 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540868703 ODMAJWHEQAJJOV-PXNSSMCTSA-N 435.532 2.294 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540873260 SHNULXKFGZKFNP-KRWDZBQOSA-N 430.578 2.067 30 10 IEEE Cc1csc([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)n1 1542849316 DOAHZVIRTISSFW-DYVFJYSZSA-N 426.550 2.437 30 10 IEEE CCCCCCCC[C@H](C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1544728272 LGKDIXQXEONMRM-ZWKOTPCHSA-N 436.640 2.034 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545576594 ASJORPWFWVLLBI-PLOGBLAWSA-N 442.442 2.086 30 10 IEEE CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1=O 1554363851 REVRUXWRJMGSRC-UHFFFAOYSA-N 426.864 2.302 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1C 1558463929 BGHGCXWFGWHRAJ-IBGZPJMESA-N 441.557 2.342 30 10 IEEE O=C([C@@H]1CCc2nnc(O)n2C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633563 DDRRJIVZKRGCBV-PRJMDXOYSA-N 434.287 2.176 30 10 IEEE CN(CCOCCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1565095289 BXEPGUIJQUKJEY-UHFFFAOYSA-N 431.537 2.273 30 10 IEEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)NCCc1ccccc1 1584385824 ICUWXXXVPUBZBI-QGZVFWFLSA-N 427.526 2.241 30 10 IEEE CNC(=O)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccc(OC)c(F)c1 1584722356 BBHJZXPWNVWQDL-IVZQSRNASA-N 435.496 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1587615424 UVKLCCRKHUVQSL-RBUKOAKNSA-N 433.560 2.406 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nnnn1CC1CC1 1588083757 JIGXEBWROFWSEM-MRXNPFEDSA-N 434.479 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1588120675 QLVRJOODHMJHIV-QHCPKHFHSA-N 443.555 2.043 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-n1nc(C)cc1C 1588129151 XYZLPQCXODLATF-HXUWFJFHSA-N 427.512 2.153 30 10 IEEE COc1cc(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)c(F)cc1C#N 1588237445 XLVBZJMJCIVYER-UHFFFAOYSA-N 425.463 2.375 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1589027591 PFTOXRQEQSBHCR-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OCC)CC1 1589036303 BXECLPHPFIZQFZ-UHFFFAOYSA-N 443.529 2.319 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1589059960 LONSLDVQHNSMQY-LEWJYISDSA-N 446.665 2.491 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1589060418 RKXJLOALDMPBIX-MOPGFXCFSA-N 425.558 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589481744 BYQDPMBRCKPIRJ-WMZOPIPTSA-N 425.599 2.243 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](OCCOC)C1 1595506672 IVOPLSRTXMGYOV-HNNXBMFYSA-N 437.903 2.282 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@@H](C)C2)cc1 1595607603 IHZPMUQQNLOVJW-ULQDDVLXSA-N 449.577 2.115 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595745864 XXLAIDMKSDREAU-UXHICEINSA-N 430.574 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC 1595789672 ZMQPYQQTVSWUBK-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3c(nc2O)CCC[C@@H]3O)c1 1596359744 WTQRARCWKXJLBB-SMKFHGBISA-N 444.513 2.222 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)coc2C)CCO1 1596641719 JMASLLUNRJPRLQ-FQEVSTJZSA-N 434.500 2.416 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1597325152 DLGHNSRIWRZAKE-RTWAWAEBSA-N 443.640 2.280 30 10 IEEE N#Cc1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)ccc1Br 1597753357 GJFSLPHUYXHTJS-MRXNPFEDSA-N 447.264 2.001 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CN(C(=O)OC(C)(C)C)C1 1597956721 DQDYQPATBPAHKV-QHCPKHFHSA-N 436.549 2.496 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCC1 1611846857 BJKYISCNGQFZLE-AWEZNQCLSA-N 431.566 2.058 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1615993815 WQZKBEZSFDXFSY-UHFFFAOYSA-N 435.532 2.357 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1618008383 VBFHFHWFPZMQLR-WMZHIEFXSA-N 441.484 2.238 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(C#N)o2)CCO1 1618688691 CUPGCJVNTAHXAC-QGZVFWFLSA-N 444.854 2.202 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(CCO)CCOCC(F)(F)F)o1 1620351259 UIDJDIXOJZMQSV-AWEZNQCLSA-N 443.426 2.063 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(I)ccc3N)C2)nc1 1625335518 GXFFCANQSNYNKC-CYBMUJFWSA-N 434.237 2.434 30 10 IEEE COc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1631438095 JPNRKTGQGOLSPG-RVKKMQEKSA-N 449.529 2.176 30 10 IEEE C#Cc1ccc(C(=O)N2CCN([C@@](C)(CO)c3ccc(Br)cc3)CC2)nc1 1636780564 IDOCTNMXIRGREP-NRFANRHFSA-N 428.330 2.491 30 10 IEEE CN(C)CCOc1cc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccn1 1637666093 MNHWJESLJSZKMW-UHFFFAOYSA-N 430.549 2.289 30 10 IEEE C=CCN(C(=O)c1ccc(CS(N)(=O)=O)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1638617585 IPDXFOGMVDDNJR-HXUWFJFHSA-N 430.526 2.278 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[S@](=O)C[C@@H]3c3cnn(CC)c3)n[nH]2)c1C 1639899400 DNEGZJQKDQCULY-KKIUXKEOSA-N 441.561 2.238 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)n[nH]2)c1C 1642142509 VMBGZIDCRXBEPP-LJQANCHMSA-N 435.532 2.102 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)s1 1643432830 VEYHHRMTKLSBEJ-AWEZNQCLSA-N 448.570 2.162 30 10 IEEE COc1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc(OC)c1OCC(N)=O 1643827295 FQAMJUZLMBZALS-UHFFFAOYSA-N 448.325 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1649538213 PDGHNRYEQDULBQ-WMZHIEFXSA-N 433.597 2.012 30 10 IEEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCCCC1 1654889347 XFIBXCLDEMXQAH-UHFFFAOYSA-N 443.613 2.324 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1661432351 AFONSELHNUHSDU-UHFFFAOYSA-N 448.495 2.162 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)cc1 1662260348 KFBKKXSFXBFPON-OAQYLSRUSA-N 429.498 2.474 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1671788677 DNUVGDUMIOXOCU-MRXNPFEDSA-N 433.486 2.010 30 10 IEEE CCn1c(O)nnc1C1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1680013950 JZNAPEPJUBLQDA-UHFFFAOYSA-N 434.504 2.365 30 10 IEEE O=C(NCc1nnc2n1CCOC2)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682017103 WZNVKCLBOWAOTA-OCAPTIKFSA-N 449.302 2.121 30 10 IEEE N#Cc1cn(C2CN(C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)C2)c(=O)nc1O 1682442601 LHHKXRGXFBQAFQ-GOSISDBHSA-N 443.891 2.208 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)C2)nc1 1685705300 DQHFNMITIBLDPB-SFHVURJKSA-N 441.513 2.220 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CCC1 1687591727 XIRDTVKZFUAPPW-UHFFFAOYSA-N 433.578 2.030 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCC(OC)CC1 1689860656 FRFOCFJWCYQODJ-GOSISDBHSA-N 427.597 2.487 30 10 IEEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1689969261 QMPZYPGUHLNLTK-NRFANRHFSA-N 430.512 2.499 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1690366401 ZPDNFLTYDDQSAR-NRFANRHFSA-N 438.594 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690661588 AAZGUTCXYRNUHT-KRWDZBQOSA-N 444.967 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCSC1 1690717908 VBEVQVXBRZEMTK-INIZCTEOSA-N 437.547 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCSC1 1690717909 VBEVQVXBRZEMTK-MRXNPFEDSA-N 437.547 2.396 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1696612783 UHRJPXWSPTUDBO-QHCPKHFHSA-N 437.548 2.435 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H]1CO 1696677198 YRADJEOFNGHJJA-JOCHJYFZSA-N 448.575 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H]1OC 1705580438 JGYHKBLHKSXPCK-MJGOQNOKSA-N 440.573 2.126 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nncn1C 1705621641 JNVCAFSXKIYELV-HNNXBMFYSA-N 429.912 2.334 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1705643350 CJHHTEPIEYUIDF-WOJBJXKFSA-N 444.530 2.466 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccnc2)CC1 1705647561 ILHVISLZDIUHOJ-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705846352 BGWWRQGUDOQMRJ-UHFFFAOYSA-N 438.576 2.028 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1706639019 AZSBLKHBKDVZFD-UHFFFAOYSA-N 428.447 2.417 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](F)COC)c2ccccc2c1=O 1710301723 MKTVXMLEOCFAKJ-CABCVRRESA-N 427.484 2.398 30 10 IEEE CNC(=O)c1cccc(CCn2c(-c3cnccn3)nnc2N(CCC#N)CC2CC2)c1 1711330639 GMLATHFFZIXLIZ-UHFFFAOYSA-N 430.516 2.467 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4ncccn4)CC3)n2CCCCCO)cc1 1712880230 BMTPBFYTSUJEHH-UHFFFAOYSA-N 448.531 2.008 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)CC1 1712886286 OJYABYRNEQGFHF-IBGZPJMESA-N 430.553 2.230 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722315105 IQUCKDXBGBYYCQ-INIZCTEOSA-N 429.594 2.036 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722370910 FSEGHAONDZZBKR-XKGZKEIXSA-N 428.558 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1 1722397842 VNCNWCALADPMIQ-NVXWUHKLSA-N 431.587 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOCCC(C)C)CC1 1722445760 BOSZHRVNDPWQPL-UHFFFAOYSA-N 426.565 2.312 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1722475304 SPFUPTZGUCUAHS-VBKZILBWSA-N 448.618 2.370 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722617602 LHPNRIPVDSGQFV-QGZVFWFLSA-N 435.594 2.128 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCc2oncc2C1 1722704148 OXHSDQCFKBQEBT-UHFFFAOYSA-N 440.529 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722728359 UYTKZVLJTSYPSR-UHFFFAOYSA-N 443.573 2.308 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CC=CCC1 1728904268 ULLQQVXUWYANAQ-LJQANCHMSA-N 438.532 2.246 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740584906 SNLHLDVRJODSMC-QGZVFWFLSA-N 443.983 2.444 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1740595738 XRBSDDWLKNBLHH-UHFFFAOYSA-N 425.533 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(N(C)C)cc1 1740629194 FDKOHTIWJFUMEF-UHFFFAOYSA-N 427.512 2.307 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2nccs2)n1 1740688865 KTQRKLZBGMDKJO-KRWDZBQOSA-N 441.561 2.160 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(Cc3ccc(F)cc3)CC2)CC1 1740689232 SJWKTEWGNHXTIY-UHFFFAOYSA-N 438.551 2.334 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740742117 CSPXFQLXRFTRMK-UHFFFAOYSA-N 444.293 2.199 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1740774498 UAPFOCDKORRUSO-LJQANCHMSA-N 447.561 2.229 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740957766 AHIUUBDADZMSNM-MOPGFXCFSA-N 427.553 2.477 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1741002520 JLLVPSIQNPHSRG-MAUKXSAKSA-N 429.546 2.377 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1741803891 TWMWIVDJRQQPLZ-DOTOQJQBSA-N 445.568 2.410 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC(F)F 1742912268 ADCDVEUIEVCQFL-AWEZNQCLSA-N 434.447 2.025 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1748247951 WMDJPSATRHPXIT-UHFFFAOYSA-N 426.452 2.472 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748814287 CRKITGOLKDCKSO-IBGZPJMESA-N 428.558 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1749003465 KSRLJMSFIWOCKR-SFHVURJKSA-N 444.580 2.199 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749219371 FOPUTHUVGUFKHX-IBGZPJMESA-N 438.532 2.304 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1750033918 LFAMUMNJQJKXDI-OAQYLSRUSA-N 447.547 2.393 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1Cc1ccc(C#N)o1 1750968030 LFBIKVWIFZRHPM-UHFFFAOYSA-N 439.545 2.313 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760190179 TVXQLDOZRUIWKY-CQSZACIVSA-N 429.468 2.253 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)cc(OC)c2)CC1 1760251861 JTGPPYNUNINXJI-UHFFFAOYSA-N 445.527 2.046 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1760257725 GSDNEBMQWNXASY-HSZRJFAPSA-N 446.603 2.299 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCN(CC)C2)CC1 1760264067 AGVMFRPKCIXALF-LJQANCHMSA-N 426.540 2.093 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(CC)CCOCC2)CC1 1760269632 NGWYSOFSPYZPEQ-HXUWFJFHSA-N 443.592 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760321232 CZEQNZAMIORVQQ-FCEUIQTBSA-N 438.576 2.170 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCOC1 1760451093 ZJRNKXMVJOFJIA-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760518682 ZCUFLDBLDBEFJH-MRXNPFEDSA-N 443.895 2.170 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760527591 BMMNNTDSLWCCLW-VQTJNVASSA-N 441.532 2.316 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2n[nH]c(C)n2)C1 1760547496 LXCDNPVTAPGOCO-GOSISDBHSA-N 427.484 2.447 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CN2CCCC2)C1 1760549538 GRCPCKXLCFRVGB-LJQANCHMSA-N 430.597 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760556492 FRGHVKYLRPLRCG-FUHWJXTLSA-N 435.619 2.204 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1760558582 TVUHNOCQWQEUTN-UHFFFAOYSA-N 445.589 2.139 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1768740760 JXANOKLPDGJXCK-ZZEZOPTASA-N 437.435 2.235 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1769084472 PZUOXNMQYFFFRY-WJAHVNAKSA-N 440.504 2.234 30 10 IEEE CO[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1769094985 PIKWRTCXUUIRQN-DUPUNLONSA-N 428.537 2.323 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](c4nccs4)C3)n2CCOCCCO)c1 1770735717 NJXREPWHEMBKNZ-SFHVURJKSA-N 440.529 2.250 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCS2(=O)=O)C1 1771529483 OMWOBCBBQPDILT-RDTXWAMCSA-N 438.916 2.403 30 10 IEEE C=CCN1CCN(C(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)CC1 1848472463 XTCVDPXOCOINLD-UHFFFAOYSA-N 431.540 2.367 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)c1C(F)(F)F 1851504675 ZJTBCKCOOAIIHH-KRWDZBQOSA-N 447.417 2.226 30 10 IEEE C[C@H](Oc1ccccc1F)C(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856927542 MBGLEPXIZOJOJM-AWEZNQCLSA-N 431.445 2.216 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nsc3ccccc23)C1)[C@H]1CCN(C)C1=O 1857074037 ACDJGQWTLVEWIN-RDJZCZTQSA-N 426.542 2.394 30 10 IEEE CN(C)CCNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858788306 CDMNHYHLPZZNTG-UHFFFAOYSA-N 428.518 2.204 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2C(=O)O)cc1F 1862639585 BXVSLPGJQGWHCO-SFHVURJKSA-N 429.400 2.493 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCOC)=C(N)Oc2c1c(CC)nn2C 1864323713 RDNZBQGEDSYQDQ-SFHVURJKSA-N 426.517 2.395 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)c1 1866929771 TUHNLYNWZZQMOR-WIYYLYMNSA-N 439.537 2.439 30 10 IEEE CC(C)N(CC(=O)N[C@@H](C)C(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 1867232861 FQCQTNASBVSGLM-HNNXBMFYSA-N 446.504 2.240 30 10 IEEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1870109497 WUVFSCSBVCRGGJ-IBGZPJMESA-N 425.452 2.057 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(OC)cc2)cc1=O 1871009438 VWAVSDMKTPLVNO-UHFFFAOYSA-N 427.482 2.176 30 10 IEEE C=CCN(CC=C)c1nc(=NCc2ccco2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509844 KOJIRDUKBYNEDM-UHFFFAOYSA-N 441.517 2.068 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 1889338128 PADABOTWDTXGFZ-UHFFFAOYSA-N 434.378 2.321 30 10 IEEE C=CCN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O)C(=O)OC(C)(C)C 2010019895 ZQVPFDLLBBKUCN-HNNXBMFYSA-N 441.525 2.332 30 10 IEEE CO[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CN(C(=O)OC(C)(C)C)C1 2010520203 VSDQOCRPBVZEOH-UXHICEINSA-N 428.533 2.105 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCOC1 2010546395 ILLSTXMHSRGACL-AUSIDOKSSA-N 428.533 2.297 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@H]2OCC[C@H]21 2060721720 TZGAMLSSUONISK-MXEMCNAFSA-N 440.544 2.390 30 10 IEEE C=CCn1ncc(N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCO[C@H]32)c(Br)c1=O 2162349454 XFDVMSWMFLJBHI-JUDXGUMMSA-N 441.326 2.284 30 10 IEEE CC[C@@H](C#N)S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2244762665 NRHKIMLQHJASNZ-HNNXBMFYSA-N 446.570 2.064 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247908545 WIKGZKDEYQBMTB-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCC1 2255628826 NNPAVCMQUHRLOU-UHFFFAOYSA-N 434.346 2.134 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255807766 AOQFJNMHOSFUDU-BFHYXJOUSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](C(=O)O)C1 2255851229 NMYLNARSHPEBBG-QLFBSQMISA-N 438.330 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2256620916 OGWZKSHSCASDEL-CYBMUJFWSA-N 442.268 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@@H]2C1 2256626343 IXWMMCUWLNFVFB-ZIAGYGMSSA-N 429.326 2.432 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2256665712 NWLWDGAXICLWTI-SCAQPMJSSA-N 429.326 2.432 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2259932257 YYERERFEJAQVIX-FPTDNZKUSA-N 431.342 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267091256 HWHITCPEHUODEK-QFIPXVFZSA-N 446.357 2.182 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)OC1(C)C 2267145051 DBXKLYZEZYBGAU-OTWHNJEPSA-N 436.365 2.492 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267175771 QDZVAGMVDTWSOI-MRXNPFEDSA-N 446.357 2.247 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267181268 QDFWAFZXOZROAI-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267493012 XPCUHDSLSFUCFG-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267509978 DOUVGZXLJNCVFK-IBGZPJMESA-N 438.381 2.313 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268785026 JPXYBWUBLYGSFY-JKSUJKDBSA-N 447.341 2.080 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2272632606 RKBVQHSPEFNNCH-CMJOXMDJSA-N 443.353 2.368 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCCC12OCCO2 2282326754 XLEXLPACLNCSQY-OAHLLOKOSA-N 443.396 2.320 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)n1C 2337321830 PAGZPYPHXVXYEW-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@H]21 2341939532 CTNXOQXFPXPJQG-JKSUJKDBSA-N 446.357 2.323 30 10 IEEE COC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)c2C#N)C1 9446780 NKLLSVZWIGXKBV-UHFFFAOYSA-N 433.511 2.465 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)c1 20424146 CAENZNXMTMVFTM-UFWORHAWSA-N 430.494 2.041 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)CC1 22812999 LQOLQJDPUUUKRT-JOCHJYFZSA-N 430.549 2.013 30 10 IEEE CCOc1ccccc1N/C(=N\C(=O)c1ccc2c(c1)OCO2)NCCN1CCOCC1 46133533 XRSPFJJLBFTBRF-UHFFFAOYSA-N 440.500 2.344 30 10 IEEE C[C@H](/C(N)=N/O)N1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 128576402 GAYJASILZDYKRC-SSDOTTSWSA-N 440.161 2.166 30 10 IEEE COc1cc(I)c(Cl)cc1C(=O)N[C@@H](CCS)C(=O)O 382917836 VWXHUYUKLUZYIA-VIFPVBQESA-N 429.663 2.456 30 10 IEEE Cc1cccc(NC(=O)COc2ccc(CCNC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)c1 409503950 RSWKZTWCSLJFEU-QGZVFWFLSA-N 432.484 2.396 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 426507037 IIUMAPUUBMMOQS-GOSISDBHSA-N 432.546 2.066 30 10 IEEE CC1(c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)no2)CCCC1 433818233 KOHMEXKVBUEKEO-UHFFFAOYSA-N 443.529 2.916 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(c3cnc[nH]3)CC2)CC1 434997903 YLAMMMYXFKEHRD-UHFFFAOYSA-N 435.488 2.058 30 10 IEEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438602488 CQAJWFWEFRCBIE-UHFFFAOYSA-N 432.502 2.225 30 10 IEEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl 471935715 UCOBIUHHCWBPIZ-ZDUSSCGKSA-N 436.671 2.252 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1C#N 489829010 KEENMDKIRSZSQB-INIZCTEOSA-N 440.403 2.022 30 10 IEEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 508816297 HTNQKGFTCPODAZ-KRWDZBQOSA-N 430.553 2.004 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 508999965 IGTNBTKDBHTGST-MRXNPFEDSA-N 447.561 2.153 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c(OC)c1 532702143 CXWLNDLRHDHZEX-JOCHJYFZSA-N 445.604 2.040 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H]4COCC[C@@H]43)nnc12 536028094 DKHQMDCYXCWGPT-RDJZCZTQSA-N 439.541 2.350 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(-n2ccnn2)cc1 539493862 YVGGNFMTILQFPK-MBSDFSHPSA-N 447.518 2.466 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 549303049 YREQWLJWUAAVHJ-HXUWFJFHSA-N 445.527 2.351 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 549669759 LZPBOFPUBOMSDN-QGZVFWFLSA-N 429.521 2.068 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 555238212 HMZQIJJXFUBVFD-GOSISDBHSA-N 426.477 2.257 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(CCOCc2ccccc2)CC1 611190292 REGOMXMTJHHIIY-QGZVFWFLSA-N 427.526 2.481 30 10 IEEE Cc1ccccc1C(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 727868193 QJLOCDKXMSSYFD-CLCOLTQESA-N 428.514 2.176 30 10 IEEE CC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 727971533 AVEBROHDZBGEOS-UHFFFAOYSA-N 445.545 2.123 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 741339120 AZERIGMNCJGXLZ-YFUPBZDXSA-N 441.362 2.372 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C)n1 757599115 XETDHZYCNMMDSM-WBVHZDCISA-N 425.493 2.076 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(C)OCCO2)cc1 758865325 NPSBWKVIIYAHAH-GOSISDBHSA-N 448.589 2.148 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 764046461 VOJPNHCJUJNUGG-UHFFFAOYSA-N 433.490 2.267 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CC3)c2=O)s1 772908167 BZICKMOVXSPWIZ-UHFFFAOYSA-N 442.610 2.462 30 10 IEEE CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(C#N)cc1F 781113918 JARMDFWGFPYOGH-UHFFFAOYSA-N 447.448 2.463 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 783555922 FDMANQSJQXTJHH-UHFFFAOYSA-N 432.496 2.372 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 796490419 NGAKRXFNUGINPE-CTNGQTDRSA-N 441.576 2.337 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC(C)(C)S(C)(=O)=O 800774865 FIOWTHANOPBLNZ-UHFFFAOYSA-N 438.550 2.416 30 10 IEEE COc1ccc(S(=O)(=O)NCC(C)(C)CCC#N)c(NS(=O)(=O)C(F)F)c1 805138909 JQLBOGLKQXODPE-UHFFFAOYSA-N 425.479 2.268 30 10 IEEE CCn1cc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cnc(C)c(C#N)c2)cn1 813696688 MCLVUVNMTDNHLT-OAQYLSRUSA-N 425.514 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1135889369 FAVCTHAVHKQBIC-VGOFRKELSA-N 429.521 2.064 30 10 IEEE CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1136358298 MGHIPOUWYCFUHC-CYBMUJFWSA-N 425.561 2.214 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 1141591500 FJXRSAYEOWSMNA-AWEZNQCLSA-N 436.917 2.288 30 10 IEEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1154225463 QKRMKENHAKSEIJ-SFHVURJKSA-N 441.329 2.230 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1N1CCOCC1 1286303901 TVQGXMHDDQKTIV-LJQANCHMSA-N 433.560 2.483 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286506782 NDYMMKUNSFDDNM-SFHVURJKSA-N 435.594 2.453 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)C 1286740674 UAMCIPZCWXAVFD-UHFFFAOYSA-N 437.548 2.429 30 10 IEEE Cc1cnc(C2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)s1 1290301398 VNRBCRONIKMXNB-ZCXUNETKSA-N 427.534 2.262 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1292614764 MTMHWRREYCOJIZ-PKOBYXMFSA-N 438.532 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](OC)C(F)(F)F 1300559511 RGAVJOVKMIMEEY-VQIMIIECSA-N 428.455 2.361 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2CN2CCOCC2)CC1 1300683682 RIDGXNAISGZOGD-NRFANRHFSA-N 436.604 2.427 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)C(=O)NC)CC1 1300698317 QJUREENAWFRKHK-UHFFFAOYSA-N 447.543 2.128 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)s2)CC1 1300719796 QFJNMZYBVNIFKU-UHFFFAOYSA-N 443.964 2.408 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300777009 QBNVBZKTPGFJIN-NVXWUHKLSA-N 429.521 2.077 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300887708 GCYBFCINQHAXEW-NQIIRXRSSA-N 441.580 2.202 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1300913673 ZAHDBXCDUVDQBE-GOSISDBHSA-N 431.562 2.225 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)COC)CC1 1300980760 NJXVVGUCUMIFHI-UHFFFAOYSA-N 448.955 2.318 30 10 IEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1301033165 GGWLLUKRWOCWHP-OAQYLSRUSA-N 441.923 2.129 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1301295208 VZADVXXYJNVJHS-CVEARBPZSA-N 441.598 2.305 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)C)CC1 1301502357 GDOQTJGMNXUFHC-HXUWFJFHSA-N 440.548 2.060 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cc2ccccc2s1 1302822181 GNMIVTNKYKVZJH-ZDUSSCGKSA-N 427.507 2.439 30 10 IEEE CSc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 1303626208 WFGPBEMCNOUPSH-HKUYNNGSSA-N 427.501 2.240 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1303642036 UDBQCZJERGUTEH-MSVBSMQLSA-N 437.479 2.273 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCOCC1 1305466997 NKHCZWUVUITQCK-SJORKVTESA-N 439.564 2.295 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C(=O)OC)cc2OCCOC)c1 1311113383 YNCPQPHJKUYJHK-UHFFFAOYSA-N 425.441 2.240 30 10 IEEE CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1313497592 TULKCEKIPMYTTO-RTWAWAEBSA-N 446.559 2.410 30 10 IEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1314230828 AUIFIOUDHHISRR-MRXNPFEDSA-N 433.516 2.477 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358962667 UOKLZNKAQHMILJ-LJQANCHMSA-N 445.589 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCC(C)CC2)nc1 1358976041 OMPOEICTZCDJNB-UHFFFAOYSA-N 426.528 2.488 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1358976588 JRDQRMHPRGCXTB-GOSISDBHSA-N 446.511 2.252 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1358988975 KLCGAOUQFHVJEX-RBUKOAKNSA-N 430.516 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC=CCC2)CC1 1359048312 MENAHGVVUKKEDM-GIVPXCGWSA-N 441.576 2.324 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359122919 FTUVOVDOUWNUFE-INIZCTEOSA-N 431.610 2.247 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1359135592 ISDVMLNSFCIXDZ-UHFFFAOYSA-N 441.580 2.227 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1359307944 YQVXCNUWDHCSGX-WOJBJXKFSA-N 441.532 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359326714 IJIPGJCKWJQYHP-SJLPKXTDSA-N 436.582 2.187 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1=CCCCC1 1360240689 NOIJCJLODGLGMZ-KRWDZBQOSA-N 449.563 2.293 30 10 IEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 1360726345 BLRNRXAPWOPHHP-JOCHJYFZSA-N 436.541 2.488 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1437641429 RFZKVGGRTJROCP-USGNIVHTSA-N 429.546 2.015 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccc(Sc4ccccc4Cl)nn3)C2)c(=O)nc1O 1457202172 YUMMDGHUKSUBIC-UHFFFAOYSA-N 440.872 2.112 30 10 IEEE N#C[C@@]1(NC(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCc2ccccc2C1 1459131992 JYYFQRVOEBEMNN-BKMJKUGQSA-N 446.551 2.327 30 10 IEEE C#CC[C@]1(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1460323590 XOMDOXSNHCSEQP-KSFYIVLOSA-N 432.542 2.467 30 10 IEEE COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1463486950 BCNSKEHRVNKBCF-WCQYABFASA-N 443.909 2.164 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OC 1464944701 TWHLUBQUCPTKPZ-YJBOKZPZSA-N 448.520 2.050 30 10 IEEE COCCS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1466175496 CPMXVKUDHCVVLS-UHFFFAOYSA-N 434.543 2.394 30 10 IEEE N#CCNC(=O)CNC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1467837375 NYWWBBTUNNTNHT-UHFFFAOYSA-N 446.507 2.403 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1c(F)cccc1-n1cccn1 1468119547 BTNFDQMLTIOUOG-UHFFFAOYSA-N 441.488 2.147 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 1471226402 DRFSDSZRNZNPAO-UHFFFAOYSA-N 428.489 2.200 30 10 IEEE CN(C)C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)c(Cl)c1 1479087767 AFZQUNDEZMPBEF-FDQGKXFDSA-N 445.372 2.176 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCn1c(O)nc2ccccc21 1504888280 NFENYSNAHATXKP-QGZVFWFLSA-N 439.520 2.294 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1nnc2n1CCCCC2 1505058504 YMDAVAPCQCMAJU-BXWFABGCSA-N 428.541 2.107 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCOCC(F)F)CCN1C1CC1 1505323451 FZNWCGXKKAGASQ-SFHVURJKSA-N 431.491 2.112 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1507679198 IICOUVSURNXIFI-MRXNPFEDSA-N 448.568 2.135 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2CCN(c3ccccc3)CC2)CC1 1507730876 XGABUHDRYIJKBN-UHFFFAOYSA-N 449.647 2.444 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808928 VSEGYHWJLMSIQF-BQFCYCMXSA-N 425.599 2.291 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1507846959 ACDUCICMHURHJN-HXUWFJFHSA-N 438.532 2.426 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCC)nc2)CC1 1507881570 OIOYNIVHFZPDSZ-INIZCTEOSA-N 434.566 2.277 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1508074051 NREHBKSDSLSUNU-INIZCTEOSA-N 426.912 2.371 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)C1 1508125468 RIHVMIXKRBHVIA-GJZGRUSLSA-N 436.438 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccccc1 1508143412 YIQCXKCKHCOPQM-ROUUACIJSA-N 429.546 2.172 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccs1)N1CCOCC1 1509224415 AQDIKSMCLXUDEO-ZWKOTPCHSA-N 430.578 2.340 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCCCC2=O)CCOC1 1509788161 IIGYVEGPILKKNU-GCJKJVERSA-N 432.569 2.460 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1513194842 BTZGGDAHGSLKLG-QGZVFWFLSA-N 427.553 2.026 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1515954677 BEQKMQUIYIHMND-RBUKOAKNSA-N 449.559 2.036 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](OC)[C@H](C)CC 1516592768 RTTRQPTVHZRLIQ-MJGOQNOKSA-N 427.553 2.469 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1518531762 FEOWEEBAHQXUDW-RTWAWAEBSA-N 444.536 2.499 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)c1ccccn1 1519448398 IBUKWHMIYMUYOR-SCTDSRPQSA-N 426.521 2.104 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1525474503 KAJWLZYXHQHPBU-UHFFFAOYSA-N 428.558 2.321 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)c1ccc3ncc(I)n3c1)CC(=O)N2 1535160355 ZPPWWNBCIOBCPU-UHFFFAOYSA-N 443.204 2.409 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)[C@@H](C)CC)CC1 1539453250 HBHLYLFFOXFGKU-FQEVSTJZSA-N 434.592 2.002 30 10 IEEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)Oc2ccc(C#N)cc2I)C1 1540190570 YJYYKPMLFNLVFN-OAHLLOKOSA-N 436.209 2.303 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1540868744 PUKARFJCHDDBSG-UHFFFAOYSA-N 448.531 2.366 30 10 IEEE CC(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541304463 BTCPAADLFJWYPM-YLJYHZDGSA-N 428.512 2.170 30 10 IEEE Cn1cc(-c2nc3ccccn3c2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1545690781 BYNYGJWRDLOLER-UHFFFAOYSA-N 438.444 2.423 30 10 IEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1554542109 AIWHZUDCLGOQMJ-UHFFFAOYSA-N 427.505 2.281 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 1564940013 IAPGEYMPIQGMGE-IRXDYDNUSA-N 445.568 2.125 30 10 IEEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCOCC1 1565105054 BZUCUMFRKBVJIZ-OAHLLOKOSA-N 445.994 2.236 30 10 IEEE CCCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCc2ncsc2C1 1583612748 DAOXXYYDXSOUFF-MRXNPFEDSA-N 432.571 2.479 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC(=O)NC(C)C)c1 1587697819 YGFUBQCNFTVGHL-LJQANCHMSA-N 438.532 2.101 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588053348 CTQQEOSUGREZGE-SFHVURJKSA-N 431.562 2.410 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588059079 IZRQPAGCPJDJMN-WOJBJXKFSA-N 435.638 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCCO[C@@H](C)C1 1588112831 BTALVMMDTLTFOZ-IBGZPJMESA-N 435.528 2.248 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1588293430 ZUHRPNGJXWLLRG-INIZCTEOSA-N 432.546 2.247 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCCN3CCC[C@H]3CO)C2)C1 1588313525 QZIIJSNBQVFPRB-ZVLZEYJHSA-N 434.581 2.126 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCO[C@@H]1C 1588581331 NVLXPUMJHPTNKE-QRWLVFNGSA-N 449.349 2.334 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(CCCCC3)O2)CC1 1588733061 LMCXWQDNVKDPFI-LJQANCHMSA-N 428.581 2.053 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1589162614 DSWZQVFUWLVQNW-JJEOQYAHSA-N 429.565 2.226 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1589243156 VDKLNUPAWZKKBZ-XMSQKQJNSA-N 439.541 2.156 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](COC)C1 1595500651 APXRQYDDFRLTHY-IBGZPJMESA-N 427.549 2.396 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)C1 1595790471 MMMPOCFCZWSPKO-IBGZPJMESA-N 427.526 2.323 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1611815782 NXMPACKYJUFJMX-KSFYIVLOSA-N 439.520 2.081 30 10 IEEE CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1612869520 GAGUGQSCYNRXBD-KNQAVFIVSA-N 448.637 2.432 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2nnc(C)s2)CCOC1 1616201283 BOCFTSHYQNDTNF-FQEVSTJZSA-N 431.566 2.463 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1617572988 HTCQPUJAJWCPQQ-HSZRJFAPSA-N 433.491 2.456 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1OC 1619210881 LSHINAXFEVMAOV-GJZGRUSLSA-N 435.431 2.115 30 10 IEEE COC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1619593298 HRLNSFSDFQTLRJ-WBAXXEDZSA-N 435.912 2.462 30 10 IEEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1619676225 OQJUKEFMDOCCFE-UHFFFAOYSA-N 435.488 2.205 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1 1630062667 DNNZTASZUSAVMG-CEMLEFRQSA-N 436.533 2.370 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)n1ncc(C#N)c1N 1630732024 CBECFTVJRLLEQN-KRWDZBQOSA-N 429.527 2.231 30 10 IEEE COCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1631784108 NLTHFLSKXUYALO-IBGZPJMESA-N 432.370 2.201 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)[C@H](C#N)C1 1634107911 HXRLRDNTLYTOAT-YCMMZOLNSA-N 426.517 2.355 30 10 IEEE CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919369 ZBOHEWYDHOTWRY-SFTDATJTSA-N 447.495 2.326 30 10 IEEE N#Cc1cccc(ONC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 1635506959 XEVOKJLJDYYBAI-QHCPKHFHSA-N 440.459 2.482 30 10 IEEE C=CC1(CC(=O)N2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)CN(C(=O)OC(C)(C)C)C1 1639899411 DOLFBFUNPXCSJW-NOVUIFNWSA-N 436.578 2.348 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCOC3(C)C)nnc12 1654743265 MCQTURORIUZOKH-CQSZACIVSA-N 427.530 2.254 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1665214367 CYXSVTVYOZMAIS-QAQDUYKDSA-N 435.546 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)NCc2ccc(C#N)cn2)CC1 1686682448 WCEQHQQPRPPRNW-UHFFFAOYSA-N 430.553 2.475 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1689923105 LDKMUDNEEDQRSJ-DENIHFKCSA-N 437.592 2.076 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC)C1 1690159946 RKTOERAKXMBCEF-CQSZACIVSA-N 440.367 2.254 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1695796022 FDRYJIRQUBTVCL-UHFFFAOYSA-N 436.911 2.500 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCC1 1697617467 BGYYCZMOLKXQRB-LJQANCHMSA-N 440.548 2.469 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2cccnc2)c1 1705504198 PMEKGJCBAJEMLK-UHFFFAOYSA-N 445.527 2.110 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705526075 ALTDHJCKEYZPHT-INIZCTEOSA-N 429.322 2.335 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1705540382 XPGPAOZUNIMUCL-SJORKVTESA-N 430.553 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(Cl)c1 1705589686 UYVRNZCOYPUOLL-CQSZACIVSA-N 437.928 2.192 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(CO)c1 1705612139 AIZJYIKUPOVCDH-UHFFFAOYSA-N 431.544 2.452 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCC2)C1 1705652283 USUZSIYVVCJFPP-UHFFFAOYSA-N 426.546 2.441 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705699624 JJSHEKFWIZFHGN-IIMDRIAPSA-N 444.580 2.096 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705700442 TZWMCIDSQHIZMT-RBUKOAKNSA-N 437.610 2.292 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1705712762 GHMFLHNUEGWBSK-NRFANRHFSA-N 431.562 2.229 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705732079 MTDIQVYPIKPZEQ-APWZRJJASA-N 440.504 2.408 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@@](=O)CC)CC1 1705767682 DXODELJBTWPYFY-PMERELPUSA-N 429.594 2.377 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)C1 1705924474 DCCGMBKJMBDXMT-MDZRGWNJSA-N 426.608 2.247 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705946026 XJECUIBSTVBLNX-IRXDYDNUSA-N 443.639 2.205 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1706655794 BUNMIXYQSATNON-LJQANCHMSA-N 446.577 2.179 30 10 IEEE CC(F)(F)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706837623 MZNRJDDVZPFFOK-UHFFFAOYSA-N 431.447 2.094 30 10 IEEE Cc1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)n(C)n1 1707803989 CVUDZDZCKCQAGC-NVXWUHKLSA-N 425.468 2.376 30 10 IEEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)C1=O 1711271549 WKELXQGNDZRLQC-ORAYPTAESA-N 435.315 2.459 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC(=O)Nc1c(C)cccc1C 1712454487 HDRNJFRTBBAMTF-UHFFFAOYSA-N 434.504 2.357 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOC2=O)C1 1712875137 LKNBOKJYWNNTAU-IBGZPJMESA-N 429.412 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H](C)CN1CCOCC1 1722304152 WYYFQHRUAXSXPS-MOPGFXCFSA-N 427.549 2.292 30 10 IEEE C#CCCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722323263 SYRNCLWSGRODLO-UHFFFAOYSA-N 445.589 2.437 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364956 JSCFLAGTDNAPMU-UXHICEINSA-N 448.564 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC1CC1 1722397617 UETWTAPYKGEDQV-UHFFFAOYSA-N 428.533 2.296 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(SC)cc1 1722430040 ZLUAMEOJVKJZJC-SFHVURJKSA-N 448.614 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C/C=C\c2ccccc2)CC1 1722440478 HQYFCJDTDSUGQS-FLIBITNWSA-N 446.555 2.193 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1722581518 DHJSZRDNRYFYFC-STQMWFEESA-N 439.504 2.258 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1722631121 DHUGBZIPEHCGKD-LBPRGKRZSA-N 428.356 2.321 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1722753452 CDAYKMSEFFEDMZ-IBGZPJMESA-N 432.532 2.098 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1722863509 KMCTUARAQFBGTI-ZQIUZPCESA-N 443.483 2.141 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1723715798 QDWDLZKPEMAXMX-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccc(F)cc2)CCOC1 1728816176 HOCRPPXWBGTOQV-DENIHFKCSA-N 445.495 2.267 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1730132075 LNDDBPOSMIUQQN-MJGOQNOKSA-N 427.505 2.161 30 10 IEEE COCCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1730612857 ABBNWWMYDQDWDY-HNAYVOBHSA-N 426.587 2.081 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)N1CCOCC1 1730949223 FHNHXOPNJZZEJM-SFYKDHMMSA-N 446.596 2.243 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN2CCCO)C1 1731179457 CFHMXMJGCZFWTC-OXJNMPFZSA-N 433.919 2.282 30 10 IEEE N#Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCNC(=O)CC2)o1 1731184545 OTCFBJIWAZIDNI-UHFFFAOYSA-N 428.399 2.386 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1740548830 INUBUSMRMCTTNS-CQSZACIVSA-N 431.504 2.447 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1740555660 NGDJZSPSNLEGNQ-NRFANRHFSA-N 444.587 2.329 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740614415 QKNAIVNTVKHVJF-QGZVFWFLSA-N 433.603 2.230 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740617264 OPSGOWXMRQLQNN-RTWAWAEBSA-N 427.574 2.050 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1740620001 SKAPRZRYPTUQAV-KRWDZBQOSA-N 433.578 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1740639610 XNMPFVMBEAHQFR-YLJYHZDGSA-N 430.512 2.173 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740702715 WIVOMONHNJPTDL-UHFFFAOYSA-N 444.580 2.234 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NC)c1 1740736120 NEZZSUWONUVKQR-MZLICYQSSA-N 437.544 2.402 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCS(C)(=O)=O 1740753300 IAMPLNRAOHXHOE-AEFFLSMTSA-N 449.533 2.315 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)CC)cc1 1740967765 PTXPQOQAFSPVOS-LJQANCHMSA-N 449.577 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740987868 NMPYTMZFUSINHL-QFIPXVFZSA-N 446.573 2.104 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1748106492 OPAXNPMUXJVYEC-FUHWJXTLSA-N 432.532 2.094 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C2OCCO2)c1 1748771216 JBHYQCFSWVDPMA-HSZRJFAPSA-N 426.517 2.482 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc2c(c1)OCCO2 1748798573 KBMKFJMUHTWLRC-UHFFFAOYSA-N 437.525 2.353 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1OC 1748806804 CUHDIDYJCVLNMG-VFNWGFHPSA-N 431.468 2.298 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nccn1C(F)F 1748957006 RIICMULDUAPFGK-UHFFFAOYSA-N 444.442 2.442 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1748979678 IWRRTLCIYAVYGA-VGSWGCGISA-N 426.521 2.406 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCC=C)CC1 1748986582 CJUORCASPPGBHO-UHFFFAOYSA-N 431.544 2.304 30 10 IEEE C=C(C)COCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1749241027 CNXNJEWPWMYOGK-IBGZPJMESA-N 432.613 2.301 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)O)C1 1749705524 IQYZZDQBLUVOII-MRXNPFEDSA-N 438.532 2.227 30 10 IEEE COCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750042119 WCBUWCVMULWWTI-NRFANRHFSA-N 434.500 2.066 30 10 IEEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1750162443 UXJYNLAOSWEWQQ-ROUUACIJSA-N 430.534 2.019 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C[C@H]1OC 1750186755 HZRFKIWEEHQUDJ-HDICACEKSA-N 436.520 2.062 30 10 IEEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CCS1 1750675658 DSKLDOLUCVMBRD-KNQAVFIVSA-N 426.590 2.461 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCCn2cc(CO)nn2)C1 1751278277 UMOWDFGTOVSPJC-FQEVSTJZSA-N 426.550 2.235 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760136314 GAXRZWNLONUYNF-GOSISDBHSA-N 440.573 2.493 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCCN1CCN(c2ccccc2)CC1 1760207909 BOUMGIOYZUXPLH-HSZRJFAPSA-N 432.572 2.415 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nccs2)C1 1760360145 SFGSHWHLWPVYEN-MRXNPFEDSA-N 432.550 2.028 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNC(=O)C(C)C)CC1 1760399352 JPXOTXGFUJHBOJ-UHFFFAOYSA-N 435.536 2.095 30 10 IEEE C=CCn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1760514162 VCSPCFHQTZHXKS-JOCHJYFZSA-N 426.496 2.454 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760522633 XWAXOTXIPDKMKW-WOJBJXKFSA-N 430.597 2.033 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1760525653 MNLNVNMQOMNCBT-UHFFFAOYSA-N 441.517 2.481 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1 1760532845 HAELYISNPUQTLA-ROUUACIJSA-N 432.546 2.018 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1763017097 HKTQKLZTHPTXHZ-UHFFFAOYSA-N 439.520 2.242 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1767248896 OXWQZUFWDYZAHX-XMSQKQJNSA-N 427.505 2.007 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1767711887 XRRKZQSAHNGGFL-LQTLECTNSA-N 436.516 2.477 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1769593573 ABPYUJQWERLHJD-NZSAHSFTSA-N 431.562 2.034 30 10 IEEE COCCOC1(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1770073640 VZFSEHUTKRVFNR-XLIONFOSSA-N 437.516 2.174 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)c1ccccc1 1770174482 ZTUOYGJWZROAPO-LNLFQRSKSA-N 447.561 2.214 30 10 IEEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C#N)CC2)C1 1770342514 DFZMCVOSWOGCEU-OAHLLOKOSA-N 449.968 2.015 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CCO1 1770943029 CCJPVIWYBUAAPB-UGKGYDQZSA-N 442.589 2.106 30 10 IEEE Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCC(C(=O)N4CCC(C#N)CC4)CC3)C2)cc1 1852229972 SQNBGIVNQJQOCN-NRFANRHFSA-N 444.601 2.232 30 10 IEEE C[C@H](CCC#N)N1CCC([C@H]2CC(=O)N(C(=O)c3ccccc3S(C)(=O)=O)C2)CC1 1853943966 SYTRTTPKQSSYTR-AEFFLSMTSA-N 431.558 2.483 30 10 IEEE COc1ccc(C)cc1S(=O)(=O)N1C[C@H](OC(=O)CCc2ccc(C#N)cc2)CO1 1855467665 ZLNBNLNPQSIHOM-SFHVURJKSA-N 430.482 2.356 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)CCC#N)[C@H](C)C2=O)cc1 1856292413 HRFXECPQNMNSBO-IAGOWNOFSA-N 434.562 2.082 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCOc2cc(NC(=O)N3CCOCC3)ccc21 1858486725 QVPWKKFKEAPBMF-UHFFFAOYSA-N 428.470 2.010 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(N(C)C)c(C)c2)cc1 1858964599 GGKUOFGGKVJEIX-UHFFFAOYSA-N 429.498 2.039 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868795870 NVJGFFJSOHLDSO-VQTJNVASSA-N 445.633 2.472 30 10 IEEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(CC)CC1 1868796929 YXQFAPDOHISXTB-WOJBJXKFSA-N 445.633 2.474 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870560080 GHAUCZJWJSBJKZ-QZTJIDSGSA-N 443.569 2.034 30 10 IEEE C=CCn1c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc2c(N(C)CCO)ncnc21 1873595252 VLRIXTHFBRDUNU-SFHVURJKSA-N 429.908 2.163 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccnc1 1874335075 GBJDGTKGBCNKCD-FZJZADEZSA-N 443.577 2.240 30 10 IEEE COc1cc(Br)cc(/C=N/n2c(SCC(N)=O)nnc2C(C)C)c1O 1874512686 KNLSZRJMTREBDL-NGYBGAFCSA-N 428.312 2.338 30 10 IEEE C=C(CNC(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2077057903 BFDDPTNFGLWKQX-UHFFFAOYSA-N 438.330 2.392 30 10 IEEE CN1CC[C@@](CNC(=O)OC(C)(C)C)(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224130344 LPKRIRKNXQCVRW-QFIPXVFZSA-N 433.358 2.359 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)s[nH]1 2247819883 KPMULDZRHCQVKG-RYUDHWBXSA-N 438.359 2.448 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830536 HPHADESWCMDIDA-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255882707 TYKDDQXNKOGANX-HOCLYGCPSA-N 431.342 2.414 30 10 IEEE C#CC1(N(C)C)CN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2261477139 MMYMSAWNYWJCGJ-UHFFFAOYSA-N 440.588 2.322 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098376 YSSSOIKYHRGPSM-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2267197049 VJHHGIWTGUVCJB-OAHLLOKOSA-N 446.357 2.108 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267274008 UNZOMCVCFMANOT-UHFFFAOYSA-N 449.357 2.042 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](C)CN1Cc1ccccc1 2267487215 BTLBZKCXTAKZNH-ZWKOTPCHSA-N 438.381 2.454 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267503562 FXNARHMJZDMQGR-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H]1C 2267539474 QUDKIRHPJQNQED-ZBFHGGJFSA-N 448.373 2.330 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267562324 ASNCDBLHDVPVJC-JOCHJYFZSA-N 449.357 2.070 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267610403 ZXIUIMUQXCBCDY-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872167 HDJXDTKQEAULQQ-CQSZACIVSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267872682 USMFRTURBQQQGR-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2272636492 LUNXVMARJLZSGU-IQMFZBJNSA-N 445.369 2.311 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@@H](N)C#Cc1ccc(Br)cc1 2278814703 VSLXZAMLFKBDMA-HOTGVXAUSA-N 443.363 2.066 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1 2296625769 AMXZOFBSVJWCMC-FQEVSTJZSA-N 426.517 2.419 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)C[C@]2(C)CO)n1 2337021166 ZYIVSOBMLVUAAN-HSZRJFAPSA-N 447.385 2.497 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 9333812 KKDZTPXSOPCPPM-UHFFFAOYSA-N 429.498 2.154 30 10 IEEE N#Cc1c(N2CCC[C@H](CO)C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3c1cccc(F)c1 25463550 PAZCVJVIESBYEC-LBPRGKRZSA-N 447.474 2.234 30 10 IEEE CN(CCC#N)c1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 30906262 PQEZKRMSPPNHNG-UHFFFAOYSA-N 434.587 2.409 30 10 IEEE O=C(/N=C(\NCCN1CCOCC1)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 46135055 TYROOGURHNEQMT-UHFFFAOYSA-N 428.464 2.127 30 10 IEEE CNC(=O)[C@@H](NC(=O)COc1c(C#N)cnc2c(OC)cc(OC)cc12)c1ccccc1 428288758 SEFXTPRJKAHDKD-FQEVSTJZSA-N 434.452 2.106 30 10 IEEE C[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 438482896 BFERZIRPDFDVRK-INIZCTEOSA-N 444.532 2.400 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H](C)C1 440581258 FADGHRIZJIUTQC-KRWDZBQOSA-N 434.496 2.349 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461294221 MQSNQWQADJMCRV-FQEVSTJZSA-N 431.431 2.445 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccoc2)n1C[C@H]1CCCCO1 461830203 KIZIRIMLWSKBHS-SJLPKXTDSA-N 434.504 2.484 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 472580339 CYWCYVJCLBMCMJ-GOSISDBHSA-N 431.489 2.319 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)C2)n(C)n1 483462719 WRHRLIVGNZXHCG-RDJZCZTQSA-N 430.534 2.205 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N4C(=O)CCNC4=O)c3C)cc2C1=O 501794484 CLXNUGDYWJUAET-UHFFFAOYSA-N 432.436 2.476 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 505125988 WICMUAHUTLLRHH-NSHDSACASA-N 432.296 2.309 30 10 IEEE CCCCn1c(N)c(N(C(=O)CN2CCC(C)(C#N)CC2)C2CCCC2)c(O)nc1=O 506023274 VLDNPCANQUOHDL-UHFFFAOYSA-N 430.553 2.232 30 10 IEEE N#Cc1ccc(N2CCN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)c(F)c1 507183277 OSASNEMBDUNZSL-UHFFFAOYSA-N 449.530 2.240 30 10 IEEE C=CCn1c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nnc1C(C)(C)C 508507458 SKKNJXWWAAVHLN-UHFFFAOYSA-N 434.522 2.181 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCNC(=O)c2ccc(F)cc2)cc1 523354485 YVUQBGAUNFWOMM-GOSISDBHSA-N 426.473 2.357 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)o1 527261008 AUFAUXWLVBPEPT-SFHVURJKSA-N 425.464 2.128 30 10 IEEE C=CCNS(=O)(=O)c1ccc(-c2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)cc1 546516512 DGKIBVDNQDNDMK-UHFFFAOYSA-N 440.529 2.015 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 549236343 DVLXTUFQRRPEAN-JOCHJYFZSA-N 449.555 2.311 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)cc1F 551952702 CBJHWXCMQSTEDW-UHFFFAOYSA-N 428.420 2.384 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 553901976 OUDUAZHXAIBAEM-OAHLLOKOSA-N 426.267 2.248 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(Cc2nc(COC)no2)CC1 555219565 BYHVJHRVOQIXTO-UHFFFAOYSA-N 427.509 2.084 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 555259193 UYZVIMJFUQWFJZ-UHFFFAOYSA-N 435.536 2.333 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)CC1 569468625 NGWBFQDSDMAVKO-UHFFFAOYSA-N 427.427 2.029 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1OC 584379208 QGJTYJDGVGSLAO-IEBWSBKVSA-N 447.561 2.147 30 10 IEEE N#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(F)c1 609810800 SCNOLVUZBBDRID-UHFFFAOYSA-N 430.505 2.491 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)C1CCS(=O)(=O)CC1 725817425 PSVFRHOJYUUYPS-UHFFFAOYSA-N 438.321 2.005 30 10 IEEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)C)c1 730144277 IXWVXDBSVHTVJS-SFHVURJKSA-N 436.578 2.359 30 10 IEEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCN(c3ccccc3C#N)CC2)C1=O 747336139 AXNDYHHXVQKQLW-DEOSSOPVSA-N 449.486 2.250 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 762618326 SFEOIKCBKJQYOY-CRAIPNDOSA-N 435.546 2.235 30 10 IEEE Cc1cc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)ccc1F 787055726 CCKDCWDDVKOBMT-CRAIPNDOSA-N 438.415 2.421 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 787995088 LZTJSDCNALFANC-XXBNENTESA-N 433.597 2.154 30 10 IEEE CCc1nn(C)c(CC)c1C=Nn1c(-c2cnn(C)n2)csc1=NC[C@H]1CCCO1 789967673 HCXQBCHGZLTOLR-CQSZACIVSA-N 428.566 2.165 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccc(C#N)c(OC)c2)C1=O 809944525 YDWXGDWOMNLZPC-MJOLOOBESA-N 437.525 2.141 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 916179289 UVONZCIRNNZOMV-UHFFFAOYSA-N 447.463 2.335 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cc1 1134507291 RCTTXLORVIICHR-RTWAWAEBSA-N 443.463 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCNC(=O)c1cccnc1 1136234656 QRCBYMWDKBPPEP-HXUWFJFHSA-N 449.511 2.334 30 10 IEEE COc1c[nH]c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cc1=O 1136331591 DXIIJSFPGMKVJM-NMWGTECJSA-N 432.502 2.229 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1139658652 SQSIEASXGIIUEA-HUUCEWRRSA-N 435.974 2.049 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCO[C@H](c4nccn4C)C3)ccc2c1=O 1142057630 CTDBUBASFGDZEY-YOEHRIQHSA-N 425.514 2.255 30 10 IEEE CN1CCC(N2CC[C@H](N(C)C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1145065404 LFTNVAIAHAKHDX-NRFANRHFSA-N 432.609 2.264 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C 1164601241 DAUBXOBHGQZXGT-WBVHZDCISA-N 435.546 2.338 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)CC2)cn1 1177113515 AINSFEYGROQYDS-UHFFFAOYSA-N 439.273 2.138 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(C#N)c1 1179041627 AINXWZQIOKEMLS-LLVKDONJSA-N 433.287 2.498 30 10 IEEE Cc1c([N+](=O)[O-])cn(CC#CCN2C(=O)c3ccccc3C2=O)c(=O)c1Br 1189034941 SVLSHVSWUZEPOJ-UHFFFAOYSA-N 430.214 2.127 30 10 IEEE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCc3nc(C#N)cs3)cc21 1195417683 KMQMWQKGPOOHAB-UHFFFAOYSA-N 441.332 2.165 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1197819188 XWBCIQMLSWINRI-WMZHIEFXSA-N 428.533 2.405 30 10 IEEE C=CCN(C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)[C@@H](C)COC 1210543108 GRUZTDZUSVKSDX-HNNXBMFYSA-N 436.557 2.406 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 1251291789 UEFUUQIVKMFELF-LJQANCHMSA-N 445.516 2.490 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nn1 1252076271 CJTADPZONUIJRG-UHFFFAOYSA-N 439.398 2.423 30 10 IEEE CN1CCN(c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C#N)cc5)C4)n3)cn2)CC1 1254821349 WEWGTWVWNPRSTQ-SFHVURJKSA-N 429.484 2.276 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286386791 HNSAICARXGBEMH-QGZVFWFLSA-N 433.553 2.051 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286387554 SEDZGFZAWQZOBN-HNNXBMFYSA-N 444.586 2.162 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1286414747 AQVMESIPTCGLOH-HXUWFJFHSA-N 431.496 2.345 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)S(=O)(=O)CC 1286517410 GWTXGROUGNGSIK-JOCHJYFZSA-N 440.573 2.480 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1286518864 LTCIKRBWEGKBJW-GAJHUEQPSA-N 441.507 2.408 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1286604379 ROPMNULVGZLMLR-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286666980 GDMVABBKJDERHR-BBWFWOEESA-N 425.599 2.496 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286702651 PTYVFHXNNJEEEO-DENIHFKCSA-N 437.592 2.219 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C)C1 1286781256 PXZPKSIIOWPQQE-INIZCTEOSA-N 428.562 2.391 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)C1 1286801498 CNFLBDSUQAGBAQ-SFHVURJKSA-N 426.477 2.161 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1287128659 ULFANUCUSBYPTL-UHFFFAOYSA-N 448.531 2.496 30 10 IEEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cs1 1292748879 CSCJACLTSLGWJO-UHFFFAOYSA-N 437.529 2.122 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)C2=O)cc1 1297510825 LWKGJSADLKHBLF-GOSISDBHSA-N 433.346 2.093 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1299684633 GEHMGZVMCKVNQQ-OALUTQOASA-N 431.562 2.359 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1300273417 QKNVCWDZJKSWTE-HZPDHXFCSA-N 446.577 2.111 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1300282708 PLIOJYGTAPIDJB-HTAPYJJXSA-N 442.495 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1cnnn1C 1300563435 JILLYEOQKAYSOQ-UHFFFAOYSA-N 430.335 2.409 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CC=CCC1 1301496807 HBNJSDBCASFHSW-KRWDZBQOSA-N 447.543 2.287 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1301496867 JEHUKCILSVROOY-CQSZACIVSA-N 445.936 2.330 30 10 IEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1302370174 FZIWWXMXGUANFK-UHFFFAOYSA-N 448.531 2.371 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC1CCCCC1 1358877893 MFEHKDCQKHRKPQ-MRXNPFEDSA-N 443.573 2.255 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1358932904 AYOYTIUSPDKHJK-UHFFFAOYSA-N 440.592 2.289 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1359010086 GGCKZVDQPKSWAT-IBGZPJMESA-N 438.557 2.068 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC=C)CC1 1359036160 ORUPROKCCIZSSE-IBGZPJMESA-N 444.580 2.308 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359037101 VRRVXYLRSUAOJI-XMMPIXPASA-N 434.544 2.137 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359048674 YTCWEZPRBHVAOL-KRWDZBQOSA-N 440.573 2.423 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)CC 1359066283 VGXIQSVSPGCYKY-HSZRJFAPSA-N 441.532 2.441 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1359073196 GTXBKXVKDLVDNG-YADARESESA-N 434.544 2.442 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1359110241 FXOZAOLMEJFKIC-UHFFFAOYSA-N 438.623 2.065 30 10 IEEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCNS(C)(=O)=O)c2ccccc2n1 1361044808 FRYWTJSBUZBELQ-HNNXBMFYSA-N 427.534 2.089 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)s1 1444851690 NWNYJZUUGLXRTG-RHSMWYFYSA-N 433.555 2.065 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC(NC(=O)N(C)C)CC2)cc1OC 1449956841 MRBKSWSVOPJUNW-UHFFFAOYSA-N 434.537 2.487 30 10 IEEE CCOC(=O)N1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1464579583 ABLWMIZVMMMBMM-PSCUFVCCSA-N 434.537 2.464 30 10 IEEE CN(CC(=O)NCCC#C[Si](C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1469983482 LLJPTASBXWADNJ-UHFFFAOYSA-N 431.428 2.457 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3C[C@@H](O)[C@H](Oc4ccccc4)C3)CC2=O)cc1Cl 1471060702 MEDCOSZGOIOLGO-CDHQVMDDSA-N 425.872 2.215 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1471567914 HFZQBKFDCBBTJP-MRXNPFEDSA-N 442.988 2.355 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)C2)nc1 1478497843 OBLWCMWMASZNCK-NRFANRHFSA-N 448.527 2.212 30 10 IEEE Cc1cc(C)n(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)n1 1492759413 DVPPKIJNPFLYDV-NRFANRHFSA-N 437.483 2.271 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1Cc1ccc(C#N)o1 1496788746 PFBKRFABGWXPIN-WBVHZDCISA-N 425.537 2.382 30 10 IEEE CCN(CCCn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1502183936 HQLZPDXTEANBQG-UHFFFAOYSA-N 436.607 2.342 30 10 IEEE CCOCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1502996595 DYGMSNPQTADPLC-LPHOPBHVSA-N 431.562 2.361 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1504601230 VICVWLGFLWWILY-IBGZPJMESA-N 428.512 2.496 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccc1F 1507659925 IPISRQQTMQOJTQ-QGZVFWFLSA-N 445.564 2.468 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1nc2cc(OC)ccc2n1C 1507711447 CHGAVGNMAYZENF-UHFFFAOYSA-N 445.527 2.294 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507781661 FSMITRLEVFLXFS-INIZCTEOSA-N 447.337 2.170 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC(F)(F)CO2)C1 1508109431 MDRYQXOMLWRBBL-HOTGVXAUSA-N 427.496 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)OC(C)(C)C)C1 1508128343 ARJMGOZKDDTTGK-GOSISDBHSA-N 445.568 2.446 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@H]1C 1516792690 CHAZUWGUDFCIPQ-IIBYNOLFSA-N 431.562 2.239 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1517104929 BMOYREPRGVQLQL-RBUKOAKNSA-N 429.546 2.115 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCC(=O)N1 1517364251 URQPWSJQQLHGQX-KUHUBIRLSA-N 446.353 2.455 30 10 IEEE Cn1cccc1-c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCOCCCO 1517391402 CIUZDIFEBCZJPS-UHFFFAOYSA-N 449.559 2.271 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1518832656 HWETVMZGZQAFQT-GOSISDBHSA-N 449.515 2.304 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1=O 1531825850 OLSLFKKTLHBSFR-UHFFFAOYSA-N 437.496 2.497 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CC3)nn2C)cc1 1534462318 YMMOIDYXRAUTFQ-XIEYBQDHSA-N 444.561 2.467 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1539094377 OYCLHLIQJOUINI-PXNSSMCTSA-N 445.589 2.442 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539212166 NELBQFWLHHACPL-RXVVDRJESA-N 448.976 2.386 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1539220972 MTDQDCRHSIBVDR-KSZLIROESA-N 438.619 2.432 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1539230326 LUMJDISOLPSQOO-QGZVFWFLSA-N 444.488 2.264 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1539260829 VKNAYXPXJMBJCZ-IEBWSBKVSA-N 435.528 2.198 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1539392624 SDOVPYWEFQCVLE-VGSWGCGISA-N 446.548 2.120 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1539412615 AXZDGJMXFZOBKP-DLBZAZTESA-N 436.516 2.231 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(=O)Nc2c(C)cccc2C)CC1 1539444064 FCKJQXAJDCWYML-UHFFFAOYSA-N 431.544 2.294 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2C[C@H](F)C2)CC1 1539460172 ZFHLYWBGNWYKPB-QAQDUYKDSA-N 430.553 2.163 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539504741 NLLBARHIMGXKPF-LJQANCHMSA-N 447.630 2.392 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1539539587 VXMVLBMRXWFIAU-MGPUTAFESA-N 448.618 2.436 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccnn1C)C1CC1 1539577176 HYMGGDNQFDDUNZ-UHFFFAOYSA-N 434.342 2.325 30 10 IEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1539607569 HXHJYEUHXBBQCR-IYBDPMFKSA-N 437.294 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)(F)F 1539617759 YPJBGNDFVLAALN-IHRRRGAJSA-N 439.504 2.258 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1539733986 XVLKCTFOHJYHBB-BEFAXECRSA-N 445.486 2.400 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539974655 SKPWIACSZSQTHL-HOTGVXAUSA-N 428.562 2.341 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539990050 CPMXIVRACAAIKX-INIZCTEOSA-N 449.577 2.399 30 10 IEEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540039662 DRSACQKCMGHEGO-UHFFFAOYSA-N 434.544 2.312 30 10 IEEE CC(C)(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1541192861 UGAQEIKQPLKDJU-UHFFFAOYSA-N 434.552 2.204 30 10 IEEE CN1CCC(N2CC[C@@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)CC1 1543234611 AXBYSHZVVGGNEC-GOSISDBHSA-N 446.393 2.042 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)ncc1C#N 1544958583 AGQQFYDJNUJHAA-KRWDZBQOSA-N 441.532 2.193 30 10 IEEE CCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)cc1 1547968521 GVVUAYYAUHUHNR-KNQAVFIVSA-N 427.505 2.106 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC[C@@H]1C 1555189439 WKMYBCMNSWCSQJ-OXJNMPFZSA-N 426.521 2.116 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C(N)=O)C2)c1 1558037612 NXAJUIKTOPMWSQ-UHFFFAOYSA-N 433.917 2.279 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@](C)(C#N)C1 1558602224 JINWHNKJHOBWLN-QOFFVNHYSA-N 449.507 2.416 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1570279902 XJBNJBLVOACTKO-ZVDOUQERSA-N 432.517 2.253 30 10 IEEE CSCC[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1585476663 LTSSYGDCQHMZDL-FGTMMUONSA-N 434.558 2.148 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1588070319 YQSWKUZJRKTHIU-INIZCTEOSA-N 444.488 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C)COC2)CC1 1588946994 JSAPFNFYMIUZTF-UHFFFAOYSA-N 425.508 2.010 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCOC(C)C)CC1 1588969311 ZVFAWIJKQZKVGE-UHFFFAOYSA-N 443.523 2.387 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594491504 CBCBLPVYIRZZGP-WBVHZDCISA-N 442.568 2.406 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1595544873 NLHOOWXEPDEJSN-MJGOQNOKSA-N 429.521 2.253 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1Cc1ccc(C#N)o1 1611695298 ZWQRHNMHPNLZHW-JYJNAYRXSA-N 432.550 2.418 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCO)C1 1611766985 FLQITTPOBSSZLU-QFIPXVFZSA-N 437.504 2.123 30 10 IEEE C[C@@]1(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CC2)NC(=O)NC1=O 1611799431 PTQSFFPUNYCEMA-IBGZPJMESA-N 447.421 2.194 30 10 IEEE COc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1619333339 BPEYKVBHWNYNEO-GIVPXCGWSA-N 440.548 2.212 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1COCCO1 1619899698 FRBRQMFFZHWLPV-SFTDATJTSA-N 441.532 2.460 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@](C)(C(F)F)O1 1620435699 FFLYEJXQZWTBLG-QKKBWIMNSA-N 449.458 2.199 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)s1 1621770543 UOIOXYYWOHKZDH-LBPRGKRZSA-N 428.967 2.334 30 10 IEEE C#Cc1cccc(N(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 1623269808 XDUNRKBKKZQJIT-UHFFFAOYSA-N 442.541 2.423 30 10 IEEE N#Cc1c(CCCNC(=O)c2ccc(CN3CCOCC3)o2)nn(-c2ccccc2)c1N 1624278802 YOUITKNWGLSOBL-UHFFFAOYSA-N 434.500 2.114 30 10 IEEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1624532296 CWVKYWTXPDVEFJ-GMAHTHKFSA-N 432.524 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)C1 1625163885 OWNLNVDHJFOACD-WCCYLALTSA-N 432.565 2.490 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](CC#N)C2)c1 1629175198 OVTLXTLUTIFGIG-CYBMUJFWSA-N 444.351 2.140 30 10 IEEE COc1ccccc1[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1noc(C)n1 1629432374 CEBFIULFDMQLDU-SFHVURJKSA-N 444.444 2.342 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCCc4c3cnn4CCO)C2)C1 1632247550 XETZAVUHZFLHTI-CCECRFFPSA-N 443.548 2.156 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1632485189 TWHAOHXTAISWLA-UHFFFAOYSA-N 442.946 2.471 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1633723206 OSAJHJJOJZJREV-UHFFFAOYSA-N 428.352 2.039 30 10 IEEE CCC[C@H](CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1634173520 GUKBSRKNIGMPIM-WBVHZDCISA-N 437.562 2.235 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(CCC(=O)OC)ccc2O)s1 1638119163 KUMFSKRQPJFENN-UHFFFAOYSA-N 438.527 2.205 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1640115202 AWFCCOCWCAWBNF-QBUQCISBSA-N 442.462 2.381 30 10 IEEE C#C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1 1643855323 VPCFGSKKSVESRQ-KRWDZBQOSA-N 432.542 2.136 30 10 IEEE N#Cc1cn(C2CN(C(=O)COc3ccc(C4SCCCS4)cc3)C2)c(=O)nc1O 1653760258 STRJNFFCHOADHC-UHFFFAOYSA-N 444.538 2.152 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)nn1 1663556538 YVJHAWZJMKFHHB-GOSISDBHSA-N 437.953 2.232 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1672452058 BYJOLWHQSVRTCI-GOSISDBHSA-N 432.477 2.052 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 1674304905 MAZKKARUWQUFKC-NRFANRHFSA-N 428.577 2.352 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(O)cc1 1676892767 HZBJMGFSEPNOHP-LEWJYISDSA-N 449.511 2.226 30 10 IEEE CC(C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1Br 1679226978 MIRVOWUZMJAWRM-SCLBCKFNSA-N 440.363 2.306 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1689930409 QXKPBNUGQYJIIA-OAQYLSRUSA-N 441.601 2.224 30 10 IEEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCN1CCN(Cc2ccccc2)CC1 1689969298 RQEYTHNVLJYZKQ-UHFFFAOYSA-N 429.572 2.151 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCn2cc(Br)cn2)CC1 1690122131 HNVSZPKFHBUXOV-UHFFFAOYSA-N 432.370 2.350 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1690243512 LMQFLELENOMDKC-MJGOQNOKSA-N 430.553 2.495 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690342638 QYWPSQLGXGOKLC-CYBMUJFWSA-N 441.941 2.162 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)(C)C)C1 1690687806 JKVOFYUAYLLEJA-WZONZLPQSA-N 449.596 2.262 30 10 IEEE Cc1noc(C)c1[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1693521268 GDQBVUVTNSWAGN-GXTWGEPZSA-N 435.554 2.037 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCN(CC(F)(F)F)CC1 1693561908 TXCFKSBKKGGMCT-UHFFFAOYSA-N 448.497 2.454 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1698152343 ZMWGSYRKDAPTIQ-IRXDYDNUSA-N 442.520 2.106 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C)CC1 1698164594 GKMXPKFVHCNFAH-QGZVFWFLSA-N 425.537 2.395 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OC)nc1OC 1698239070 ULKWWMWKVNMNBD-HKUYNNGSSA-N 442.520 2.203 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1705531350 GRSOXTOSBVAMKI-XMMPIXPASA-N 447.543 2.180 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705566088 XOUYDARJOXAVRR-MISYRCLQSA-N 428.558 2.123 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC1(C)C 1705576847 RRTMAGLZTWOZBO-SFHVURJKSA-N 425.558 2.314 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1705637992 UCHJWVPFNXWRPI-WJOKGBTCSA-N 434.569 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(F)(F)Br)CC1 1705649798 FQPOKDKDNMGMHT-UHFFFAOYSA-N 430.297 2.184 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705669065 AQFFQNUFCKMHPR-UXHICEINSA-N 434.949 2.140 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC)C1 1705685721 HQZKAZVVLVPMNY-LSDHHAIUSA-N 425.375 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705703426 TXXPJYJCCZHUBP-ZJOUEHCJSA-N 431.581 2.285 30 10 IEEE C=CCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705824854 BVAGZPVOYVSKKH-AEFFLSMTSA-N 444.511 2.364 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NC(C)C)C1 1705920887 GWFPFKWTQJWEDM-KRWDZBQOSA-N 429.521 2.268 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccco1)C1CCN(S(C)(=O)=O)CC1 1711026434 NCIWKMWLGHYXCH-UHFFFAOYSA-N 440.529 2.318 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1712499415 QZLHOQDSENLDMM-CVEARBPZSA-N 437.504 2.154 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCOC(F)F)CC2)c1 1712881680 DQAKXMBUCFYWMP-MRXNPFEDSA-N 433.463 2.352 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722337512 CGSNSAHEHVSGCS-QFIPXVFZSA-N 434.544 2.443 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359210 JOTPNVWINKQRSR-RYQLBKOJSA-N 444.557 2.245 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722371061 GRJXCOGFTCACDN-NFBKMPQASA-N 442.585 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCC1 1722385363 GLZIHOQWQOESBK-UHFFFAOYSA-N 446.599 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NCCC)c1 1722386571 CHRHWWYYBKNAJJ-UHFFFAOYSA-N 443.555 2.401 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1722401758 AUCNMECWSSVKJH-GFCCVEGCSA-N 445.467 2.137 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1722519281 VRVYYFVTPUILML-INIZCTEOSA-N 443.573 2.490 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1722538445 PSEZZMYBDRFLAY-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722625280 OFTKXJDIUSZCBU-JOCHJYFZSA-N 441.557 2.424 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722626323 BRBGFGXBGBOWBV-IBGZPJMESA-N 427.553 2.190 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1722678736 WVQQUXVWRJKGEU-JTSKRJEESA-N 438.536 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1722725417 LEWRGDGFJGYNHX-UHFFFAOYSA-N 444.517 2.429 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)cc1C 1724393362 OYTISOAVZXDRET-MRXNPFEDSA-N 447.499 2.327 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729304689 MJAUUMFFVSCYOX-UHFFFAOYSA-N 435.463 2.097 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1730538501 ZGRHWGBMFBCJJU-UHFFFAOYSA-N 449.515 2.304 30 10 IEEE COCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1730631653 BMPYCBONXVUGAO-LEWJYISDSA-N 446.577 2.187 30 10 IEEE C#CCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1740597737 YBJQLVIGKKUHJR-UHFFFAOYSA-N 427.574 2.243 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1740691641 LCPQRFYGRRFJFM-PMACEKPBSA-N 426.565 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1C(C)(C)C 1740994722 VNCGKTOMXPBCLQ-NRFANRHFSA-N 436.553 2.413 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@@H]1CC 1740995598 QSVUIALOASONKG-XSLAGTTESA-N 426.583 2.228 30 10 IEEE CCCNC(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1745782356 YKZWVBCHCOGUCW-CQSZACIVSA-N 447.337 2.353 30 10 IEEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCSCC2)CC1(C)C 1748062500 BBQHCFFPRXMCRY-UHFFFAOYSA-N 425.606 2.396 30 10 IEEE COC1(C)CN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748483368 PYTNIYRNWXUDSE-HTXNQAPBSA-N 442.907 2.350 30 10 IEEE C#CCCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1748730652 POFQWSVDZGKPKR-YYDVJCTNSA-N 429.565 2.179 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)C1 1748751225 UQVDULOHWPSICY-UHFFFAOYSA-N 430.553 2.084 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1748790074 FHCGBZRDBFOYFY-NRFANRHFSA-N 441.601 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H]2CC)CC1 1749001167 KPDUEDFAYNZBAR-AZUAARDMSA-N 440.592 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2ccccc2)CC1 1749001657 YJQMGMXAQBENQR-IBGZPJMESA-N 448.571 2.284 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NC 1749073512 RXHQKJDLLOIMQW-OAQYLSRUSA-N 428.562 2.034 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749368354 SBVIVRVJOUFZIU-QZTJIDSGSA-N 429.500 2.097 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749677217 RPHMWKLDKUHIIC-QUCCMNQESA-N 425.533 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCOCC1 1749730870 TVUKOKCMGFLXID-UHFFFAOYSA-N 443.529 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1749733777 CAYLVSOUEQTPTB-GCJKJVERSA-N 446.573 2.135 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750473510 JGOFOJDVZVRLCT-FMQUCBEESA-N 443.596 2.314 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC1 1760207287 CZVHJDBWPUUHIE-UHFFFAOYSA-N 433.556 2.412 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCc1nnc(C)s1 1760207425 JCBVGYFMDIRWNO-UHFFFAOYSA-N 439.570 2.135 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2)cc1 1760217953 SGJUQRNSBMFPPX-QFIPXVFZSA-N 430.556 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)CC1 1760326593 YJPKGTJXOFWIKG-UGKGYDQZSA-N 426.565 2.014 30 10 IEEE C=CCCOCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453140 PHUYMJVXVDRCFL-USTZCAOPSA-N 449.552 2.203 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1760478227 ABKUZFOKPZCJCO-HXOBKFHXSA-N 438.532 2.020 30 10 IEEE CN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1766958038 SONJQUZNSXMMJI-ZDUSSCGKSA-N 432.893 2.130 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCCC2)CCO1 1769240287 FARQQGOJLKHDCC-LJQANCHMSA-N 438.532 2.117 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769281650 IQXFNEXTOHJVKK-LEWJYISDSA-N 442.539 2.350 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1770877611 VKDDSQLTINAWNQ-OAQYLSRUSA-N 437.435 2.353 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1771241885 YYDYMMXKMVQZIX-UGKGYDQZSA-N 443.573 2.317 30 10 IEEE Cc1nn(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)c1C#N 1851347189 GHPQFWZZNJIFBM-VQTJNVASSA-N 432.528 2.470 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H](C)NS(=O)(=O)c1cccc(F)c1 1853236387 VIOVVTYSAWNPGZ-RYUDHWBXSA-N 439.900 2.127 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)on2)C1=O 1853829706 YMLAWYAQMPXLHP-CVEARBPZSA-N 428.514 2.253 30 10 IEEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)[C@@H]1C 1854790621 YSFMPKYTYBTCGQ-SFHVURJKSA-N 433.574 2.356 30 10 IEEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1855163579 URHFQJPWSZKQBW-ZWKOTPCHSA-N 430.574 2.396 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCCC3)cc1Cl 1856351760 JPRISROWHJXZDN-UHFFFAOYSA-N 439.921 2.325 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCCOCCCC 1870357508 JAGZPPDAKLZMCV-UHFFFAOYSA-N 449.592 2.107 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCC(C)CC2)cn1CCN(C)C 1870495476 QCPRKQVXVXMGBT-UHFFFAOYSA-N 430.593 2.221 30 10 IEEE C=CCOc1cn(CCN2CCOCC2)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870809308 VCDWYNHNLPSEHW-UHFFFAOYSA-N 444.488 2.274 30 10 IEEE C#C[C@@H](c1cn(C)nc1I)N1CCN(C(=O)OC(C)(C)C)CC1 1900290437 CCUIBERNXXUCEA-ZDUSSCGKSA-N 430.290 2.252 30 10 IEEE C#CCN(C)CCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2009797705 WYQSWHNISXDTBG-IBGZPJMESA-N 431.533 2.085 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2248406407 XWBZZLGCQVEGHW-UHFFFAOYSA-N 438.355 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2250809470 HEDIOPPNMZXJIE-OAHLLOKOSA-N 440.541 2.062 30 10 IEEE COc1ccc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255542347 QGKIPDXHNQTYHD-HOTGVXAUSA-N 432.326 2.390 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255619876 TWKKSDYMKZDXFW-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629164 RRDKFBFYGXMJLA-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE C[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255699329 XAADAXMJFKTXDV-HOCLYGCPSA-N 431.342 2.366 30 10 IEEE CCN(CCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255821617 FIQHQPSGNSNOCP-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831439 VZYLISCOZIEXGR-CQSZACIVSA-N 434.346 2.038 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2256932875 KULTYGUVDOGGLK-LJQANCHMSA-N 425.290 2.386 30 10 IEEE CCc1nn(C)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267145373 GBHMQZQSRYNNIN-LSDHHAIUSA-N 448.373 2.067 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267187475 YXBKICAAQUMAMN-GJZGRUSLSA-N 447.316 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](F)C1 2267272801 DETOIJKHBCHJFO-JKSUJKDBSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267489786 ZGUWGQQSXYFRGB-UHFFFAOYSA-N 448.325 2.041 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267491403 CPLZMUWDIFZJPM-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502584 PZZRQPILJOUNPW-CQSZACIVSA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267512385 GHYFZRXMTAEOSL-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528394 DLVMWPUHRGBXCB-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@@H]1NC(=O)OC(C)(C)C 2267547744 BALHZLYJVOXCHW-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268640509 XJNSUACZGRYLMF-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE CO[C@@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2268646801 VHGWDABTBSRLCY-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CCCC23OCCO3)OC1(C)C 2282500281 JOKMMMGXBGQXTM-HNNXBMFYSA-N 443.758 2.213 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)c(Cl)c2)OC1(C)C 2282828867 WCMWWXQTQDKTEM-CYBMUJFWSA-N 443.758 2.023 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(NC(=O)OC(C)(C)C)CCC1 2337201094 QMOGIQLBWDGMGH-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE NN[C@H](C#CC1[C@@H]2COC[C@@H]12)c1ccc(I)c(Br)c1 2341622218 CIYNAGLEXBMWMR-COPLHBTASA-N 433.087 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCCC#CCO 2343621397 SIAPXTVOBJZBCO-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE COCCn1c(=O)/c(=C/c2ccccc2OC(F)F)s/c1=C(/C#N)C(=O)C(C)(C)C 33409818 GIQNLFADJWDXGJ-VVFPYCPVSA-N 436.480 2.276 30 10 IEEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(C/C=C/c1ccc(O)c(OC)c1)CC2 72142213 RGTSMXQOCIYKPW-QWNKOJSDSA-N 430.501 2.388 30 10 IEEE C=CCSc1nnc(NCC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 257626514 ASXLJUITRNWGCI-UHFFFAOYSA-N 440.572 2.132 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)c1 441904074 FVEZSBRJSWQYAO-UHFFFAOYSA-N 434.468 2.001 30 10 IEEE CC(C)[C@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475155023 IOENBJAEFKOCEN-WOJBJXKFSA-N 432.590 2.196 30 10 IEEE COc1cnccc1N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 483196383 DAKOTERQNYTQLI-UHFFFAOYSA-N 432.446 2.399 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 501141769 PDNSUUAAHMWZKD-HXUWFJFHSA-N 432.590 2.006 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 536085576 HOTCDCFIBMSQSY-LJQANCHMSA-N 437.565 2.041 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(C(F)(F)Oc3ccccc3)n2CC(=C)C)CC1 549276345 XJKVIBRDDDNXNS-UHFFFAOYSA-N 446.502 2.407 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 555246545 MUHLOGRTVLAQCJ-FQEVSTJZSA-N 431.512 2.412 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 609046199 ACRQFVCXPLWILV-UHFFFAOYSA-N 433.921 2.474 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1 609845304 JYBQSOZPXBEJEO-WJOKGBTCSA-N 440.569 2.446 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 611198884 BWXCTWORQKAOHM-INIZCTEOSA-N 431.500 2.020 30 10 IEEE CC(C)(C)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 611564835 YKZGBLLXMDMXIQ-IBGZPJMESA-N 425.533 2.344 30 10 IEEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 619850914 FUTRSZFIHXLBPM-HXUWFJFHSA-N 430.516 2.421 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669814175 QXFCVFVYZHJXBV-DENIHFKCSA-N 438.576 2.074 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1CCN(C(=O)c2ccoc2)CC1 726995566 AMPKAZYZXMQAKV-UHFFFAOYSA-N 447.451 2.371 30 10 IEEE C#CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1C)[C@H]1CCS(=O)(=O)C1 729968631 NNILFURVOVAYIG-INIZCTEOSA-N 436.331 2.206 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccc2C)cn1 730145238 YJDROKHNILBGBZ-LJQANCHMSA-N 442.589 2.411 30 10 IEEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)c2)s1 739975580 DBAOYISMTILSGE-UHFFFAOYSA-N 433.536 2.413 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(CO)C(=O)O 757439443 ZCVQNQNCGXECMI-HYBUGGRVSA-N 438.480 2.422 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCCN1C(=O)OC(C)(C)C 764664968 KMXUJFFUNLRGFR-JPYJTQIMSA-N 426.517 2.486 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)ccn1 766276795 YXBOBHWUCWNCNH-UHFFFAOYSA-N 430.486 2.238 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 780848387 MGDCAOGCYCQYBE-QFIPXVFZSA-N 435.505 2.278 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccnn1-c1ccc(F)cc1 789968881 RTTNBNWZOPVMDY-CQSZACIVSA-N 440.508 2.488 30 10 IEEE C[C@H](C(=O)O[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)n1cnc(C#N)n1 798743147 ZLNPLCWCIBCDRE-VLIAUNLRSA-N 433.424 2.040 30 10 IEEE COCCOc1cccc(S(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 802890991 HDFOTOIGZFYHJG-UHFFFAOYSA-N 429.454 2.394 30 10 IEEE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c1 810082160 FOKBWRMYBFKAFE-VURMDHGXSA-N 446.481 2.249 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)c1ccc(F)cc1 812962543 PALWIZDOZTXDQK-GOSISDBHSA-N 437.431 2.202 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)CC1 816290798 QAWQVFXFOIUXGR-BOPFTXTBSA-N 438.509 2.297 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2ccnc(C)n2)C1=O 917695603 AEEGUHGUHLNWTH-QGZVFWFLSA-N 426.502 2.011 30 10 IEEE Cc1cc(C)cc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1084092006 FQQKORXVPVXYCB-UHFFFAOYSA-N 442.549 2.404 30 10 IEEE CC(C)(C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(C#N)cc1 1125075462 GKULWNVAAFMWTN-UHFFFAOYSA-N 441.553 2.314 30 10 IEEE COc1cc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCCO 1141899431 VTUMMSGCNHRMHT-UHFFFAOYSA-N 432.517 2.333 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1142748687 FUUPPRQVAAJBSI-MRXNPFEDSA-N 444.960 2.055 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1155983336 CSNBTLSKFHLMOJ-GSEOLPGOSA-N 429.517 2.173 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCc2cnc(N)nc2C1 1166949286 FFZUHBPRHNKEGD-LJQANCHMSA-N 434.500 2.350 30 10 IEEE C=CCC1(C(=O)N2CCC[C@@H](n3nncc3I)C2)CCOCC1 1175732422 KMKOLFXLEPZUSF-CYBMUJFWSA-N 430.290 2.419 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1ccc(Br)cc1)c1nccn1C 1192764171 FEROMEMHXDJXRB-WFASDCNBSA-N 426.340 2.198 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 1195938998 VQSYRBPVVCTGSD-QGZVFWFLSA-N 444.413 2.426 30 10 IEEE C#C[C@H](C)NC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1252432174 SPUGUJAUUUPSQN-HNNXBMFYSA-N 425.346 2.369 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1253779659 QWZKERADQIYBAJ-HNNXBMFYSA-N 443.573 2.141 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1264988469 NBYQXFOYURKADE-SFHVURJKSA-N 446.598 2.050 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@@H](C)CC 1286286416 XYTIMXIPEQRUHN-DLBZAZTESA-N 431.610 2.426 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286325732 ZLIQDOFMYUODNO-IBGZPJMESA-N 438.532 2.205 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1286365549 YHDZAEKQFLOAHL-IBGZPJMESA-N 440.592 2.305 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1286408132 DFUHGAFQENXANV-LJQANCHMSA-N 427.512 2.343 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286439440 WUOHGVSUIHWGNH-NRFANRHFSA-N 433.560 2.219 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCN(CC)C1 1286449910 KMSFPXOBGHJFNA-HSZRJFAPSA-N 449.647 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[C@H]2OC)CC1 1286494953 WKFHYNWYFHHIPA-AQNXPRMDSA-N 429.565 2.301 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286612278 CBJHQOONTOEIIW-ICSRJNTNSA-N 425.533 2.473 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286633558 YCXGLDLIJOGKQN-AEFFLSMTSA-N 432.956 2.384 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286706567 QAVKQAGUULAOLD-OXJNMPFZSA-N 443.614 2.122 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286785514 MONOWUWHKNGKCU-UHFFFAOYSA-N 434.548 2.372 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286792038 KVFLOKIEYBTGNW-PMACEKPBSA-N 438.576 2.449 30 10 IEEE Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)on1 1290969775 BZFGEOGHCKHBFU-IRXDYDNUSA-N 443.508 2.424 30 10 IEEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C#N)CO)c1 1297880351 LTJFOHGFDSKDSW-CQSZACIVSA-N 449.916 2.344 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 1300147931 UGYMCVAJYJZAPK-RBUKOAKNSA-N 436.537 2.180 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300411448 JPSYNHOXVIFHNT-HNNXBMFYSA-N 437.516 2.079 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1300481571 APEGMDFVJDMHKH-YZGWKJHDSA-N 433.622 2.435 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300491227 FHZZHFSFCREJQW-QWFCFKBJSA-N 433.622 2.150 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300541324 RNPWXTZRNYJKQL-OYRHEFFESA-N 445.571 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1300578909 KEDUFZBBKXHLCX-RUZDIDTESA-N 444.539 2.299 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC1 1300682624 FJWIGADAHUCNCC-QGZVFWFLSA-N 428.562 2.404 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1300991857 WMEOCBHUVFIQIQ-IBGZPJMESA-N 445.589 2.100 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301183085 QRPVBOWTXQRGBX-UHFFFAOYSA-N 434.548 2.460 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccn3)CC2)n1Cc1ccc(C#N)o1 1302085467 SWRXAQAWAPIMCU-KRWDZBQOSA-N 437.504 2.237 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1302433393 BAKAAWWGILYDEZ-LJQANCHMSA-N 440.504 2.413 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccsc4C#N)C3)[C@@H]2C1 1302897722 KUWULHVBXKYRLK-CFVMTHIKSA-N 432.502 2.274 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1302989945 WLJUAWVQQUYWLH-UYAOXDASSA-N 438.532 2.104 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C(C)C)C(C)C)CCOC1 1303506670 PZAUKZLYKUIKRM-DENIHFKCSA-N 434.585 2.166 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ncc(Br)cn2)ccc1F 1303547911 TWSHROSGJYMPID-UHFFFAOYSA-N 443.298 2.115 30 10 IEEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1-n1c(C)cc(C=O)c1C 1304271629 NTKDIUQXLSQGOS-SIKLNZKXSA-N 425.510 2.225 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C#N)o1 1314945104 HADVETISGWWNKV-CQSZACIVSA-N 438.488 2.294 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@@]1(C)CN(C2CC2)C1=O 1316100686 VXWBGQMRMIHQAR-JOCHJYFZSA-N 426.496 2.462 30 10 IEEE N#C[C@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)(F)F)CCO1 1316535644 WUGNZHUKSVVOEL-INIZCTEOSA-N 448.449 2.155 30 10 IEEE C=CCO[C@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 1320322427 VHETZCDQJLQDFQ-SFHVURJKSA-N 434.562 2.153 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc(N(C)C)ncc1Br 1353929903 MADNDIRQYDRIDU-UHFFFAOYSA-N 431.338 2.381 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358914111 IRSMBYOTJQZJNG-KRWDZBQOSA-N 433.553 2.282 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358957899 CIHQSKUWZUFKIK-WOJBJXKFSA-N 441.557 2.114 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(C)c1 1358978036 BUQDJJDJXIYYQK-RBUKOAKNSA-N 426.542 2.029 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](COC)C1 1359089693 MSFVDLWSBQRSNI-WDSOQIARSA-N 435.569 2.029 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC2CCCCC2)C1 1359324435 LEZTZKHPTVZEQO-HXUWFJFHSA-N 441.580 2.370 30 10 IEEE Cn1c(S)nnc1CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1443660519 CJVPRHBZLGLASU-KRWDZBQOSA-N 442.545 2.169 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1455078491 LRBSPGZSWPTOQE-UKRRQHHQSA-N 443.447 2.255 30 10 IEEE Cc1c(C(=O)Nc2ccc(C#N)cc2I)nnn1-c1cnn(C)c1 1462866121 WXNWGZJAOYRLJR-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1I 1464702897 RFDWLQPFZSYFBJ-UHFFFAOYSA-N 439.232 2.296 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1464926120 AHPJDICFTAGCLB-GOSISDBHSA-N 439.560 2.259 30 10 IEEE COC(=O)[C@@H](NC(=O)CCCOc1ccc(C#N)cc1OC)c1ccc(OC)c(O)c1 1467265153 NPWWNXQBAAVNFM-NRFANRHFSA-N 428.441 2.471 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 1471521657 MRLRUEANXKRYHF-DDYRAIOVSA-N 436.599 2.075 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN1C(=O)OC(C)(C)C 1478402811 FVNTUFGXOZLDSO-UGUYLWEFSA-N 437.541 2.443 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1502944716 GUXTWXTUDBMBRB-FMVUODCNSA-N 428.537 2.322 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C(F)(F)F 1503956226 QWGPMBXMAPPVFE-BEFAXECRSA-N 436.438 2.486 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1504173556 VCRKFXYJLMBCSE-XDOYNYLZSA-N 447.499 2.220 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1504829044 DVPFEDRFCOYQBS-HTAPYJJXSA-N 427.505 2.149 30 10 IEEE C#CCCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507599228 MAEZGZSKPFQFDE-DMPWYTOCSA-N 430.553 2.164 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1507637474 BCUQHBISJFFILP-NRFANRHFSA-N 449.580 2.442 30 10 IEEE C=CCn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066171 HECRTNSQNLEGGY-GASCZTMLSA-N 439.582 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508133045 CFPLBUDBTQJHFD-JOCHJYFZSA-N 445.589 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CNC(=O)CCC)C2)nnc1C(C)(C)C 1508148758 JQVWVMXGFGDYRW-KRWDZBQOSA-N 439.626 2.309 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOCC1(C)C 1508507439 RMHUVYIDAJHNNT-UHFFFAOYSA-N 439.564 2.221 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1515674343 IEOCHMQUMRONMG-UXHICEINSA-N 427.505 2.149 30 10 IEEE CN(C)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1516959115 FNCIYSKKGTYGFX-PMACEKPBSA-N 438.532 2.100 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1526679667 YXDKBLOJMYBBBA-UHFFFAOYSA-N 442.497 2.449 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2sc([C@@H]3CCOC3)nc2C)c1 1528411365 DBYFVDOZRRMOCA-GOSISDBHSA-N 439.537 2.442 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2nnc(C(F)F)o2)c1 1534106632 XHPXIISFLPKURK-YDZHTSKRSA-N 427.433 2.391 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 1535414197 BAJZGOOTAWASSA-MRXNPFEDSA-N 429.498 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1538975940 FUKAIYGHXWFHBF-HTAPYJJXSA-N 446.573 2.034 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539230436 HPJMXXBDPAIZRK-LTFXXXRZSA-N 434.606 2.479 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1539430779 OCLYTZPNHNHQRD-OIBXWCBGSA-N 431.581 2.033 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C)c(C)s2)CC1 1539481305 KTGQJMLNKYKQCI-GOSISDBHSA-N 442.589 2.064 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(OC)c1 1539552041 IETBWWVNFLFVAH-HSZRJFAPSA-N 431.500 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1539644372 OJOWUENZMLUKMJ-GCJKJVERSA-N 431.581 2.463 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1539750702 UKSCMWBSXCVDAH-UHFFFAOYSA-N 433.578 2.253 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539809998 GTQRFEIAHUKNEH-QGZVFWFLSA-N 431.972 2.053 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540013308 NMNUZFYQDGZQNS-IBGZPJMESA-N 449.625 2.214 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1540071744 MXPQGDVFCGVJDD-OAHLLOKOSA-N 425.580 2.143 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1540869614 ROPYGNNJTUYWGS-UHFFFAOYSA-N 433.516 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1O 1540907532 ZMABKKIAWOPGEG-UHFFFAOYSA-N 444.561 2.083 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1541116764 UWBYTDRUUJBHMZ-HKUYNNGSSA-N 440.548 2.283 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@@H](C(N)=O)C2)cc1C(F)(F)F 1548368069 PLSQTUDTJNFMSF-MRXNPFEDSA-N 446.385 2.122 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 1556453614 FKYNAXMYZZSZBC-ARFHVFGLSA-N 449.882 2.272 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1556788024 DCBSZKGCXJUJOO-UHFFFAOYSA-N 433.530 2.116 30 10 IEEE C=CC[C@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1560027112 RFRNGSFNXMDZNH-SFHVURJKSA-N 439.560 2.466 30 10 IEEE C[C@H](CC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1570372780 VJHKCMLZLAAFGF-DYVFJYSZSA-N 426.498 2.094 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(c3ccc4c(c3)OCCO4)CC2)ccc1F 1585214469 ASFIYXCYTOHSMO-UHFFFAOYSA-N 432.473 2.480 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1586185255 VFUBOOSMEFOFGD-UHFFFAOYSA-N 444.582 2.441 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1588050993 YTYWSRUBFILGAG-IBGZPJMESA-N 445.589 2.420 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1588113665 OZJVPRTYFDNSID-SFHVURJKSA-N 433.537 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N(C)C 1588229603 YYJSFGFGKCSMDO-ROUUACIJSA-N 445.614 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)C(=O)OC(C)(C)C 1588258467 AJPIMCFSXBPGLK-OALUTQOASA-N 445.564 2.332 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccco1 1588628050 CZXKIZKDVSATAP-UHFFFAOYSA-N 432.484 2.402 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CCC1 1588659602 LQTSNCDLGWMRQD-UHFFFAOYSA-N 434.537 2.061 30 10 IEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2oncc2C1 1589295652 JCKSMUWQPJCJSQ-UHFFFAOYSA-N 430.266 2.385 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1594544027 GZPMQQJNQKGUJV-CEXWTWQISA-N 443.573 2.212 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1594608308 IXPAYMAZQCXHFL-WIYYLYMNSA-N 440.596 2.024 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)on1 1595262050 ZBXYPZWVAWFDEU-INIZCTEOSA-N 431.518 2.353 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1595753389 HURAVIJHHXPNQQ-BRWVUGGUSA-N 445.486 2.174 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1596484169 HTSHGIOEEBPYDL-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCCN(c2ccccc2C#N)CC1 1611469045 JTFYZWNOJJINPH-FDDCHVKYSA-N 428.533 2.357 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1614327890 ABYYNUUEDNXNMI-GHTZIAJQSA-N 431.562 2.381 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1617204170 OCXWOJWOAOYRSQ-WOJBJXKFSA-N 427.505 2.149 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1nccs1 1618251912 GWJKELMYIJJKOB-UHFFFAOYSA-N 430.559 2.387 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1619614962 SXYGCKBFRMZXMI-PMACEKPBSA-N 428.512 2.102 30 10 IEEE C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1623809906 OFDPCPAZGZPMTD-RDTXWAMCSA-N 433.350 2.079 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1623821957 WXCYBUCYPPHLBV-UHFFFAOYSA-N 441.546 2.213 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)c1cccc(C#CCO)c1 1627650003 VSIFULIYFBKETE-MRXNPFEDSA-N 432.314 2.383 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccncc2Br)ccc1F 1635393072 TVCDXHMYAYPCBA-UHFFFAOYSA-N 428.283 2.378 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 1639969258 YCNQHMCBHGJBFB-NSHDSACASA-N 429.336 2.432 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640978248 GGYUUYQEKMQVEM-SBUREZEXSA-N 440.500 2.486 30 10 IEEE C=CC[C@@H]1CCN1C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1648409328 GCKOQNPQLMJNAS-CZUORRHYSA-N 443.363 2.159 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 1675398206 PSEJCQHGVBSSRU-JCNLHEQBSA-N 430.555 2.456 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1689947929 OQYHISCHHPQLAC-IRXDYDNUSA-N 429.496 2.122 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccsc1 1689961218 PCHNJQRKACTNSV-QFIPXVFZSA-N 434.525 2.231 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1689983480 CELDUTQRQIGJKX-INIZCTEOSA-N 443.554 2.085 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCSCC1 1690005206 VSLFLCVXRSOLBT-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCS(=O)(=O)C1 1690042809 DCIZIORAAMLSNE-LJQANCHMSA-N 448.552 2.028 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690080044 DTQOZLBTLNZTOO-HSZRJFAPSA-N 430.556 2.338 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1690321657 IDBRLRJPROVKOH-ZWKOTPCHSA-N 445.589 2.485 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1690528217 YGFHDEWYXAZAPW-GOSISDBHSA-N 449.552 2.104 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690643733 RFNJCPZVHTXHHA-BRWVUGGUSA-N 449.552 2.108 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)cc1OC(F)F 1697451555 ZJIJYPJJKFPVAV-JSGCOSHPSA-N 434.447 2.483 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1)OC 1697767471 SCTKAZQAQOPUEV-IBGZPJMESA-N 427.505 2.007 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1705490856 SCKQPJHZHYEKLF-RKXCMPKHSA-N 440.573 2.292 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2)CC1 1705509250 CXEWGLYLTXSRET-LJQANCHMSA-N 444.605 2.409 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nc(C)cs1 1705626560 ASKDNKSBUCAICR-UHFFFAOYSA-N 449.540 2.091 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccn(CC)c2=O)CC1 1705642385 RTKSLHBAYBDBOL-UHFFFAOYSA-N 446.555 2.151 30 10 IEEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705807008 QXTRFVZUMFGRHS-SJORKVTESA-N 428.541 2.408 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCn2nc(C)nc2C1 1705827738 PCTRRLYXDORRFC-UHFFFAOYSA-N 439.520 2.475 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCS(=O)(=O)C1 1705859804 GJVGDEAZATZWMV-IBGZPJMESA-N 449.540 2.234 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705907378 KNGAMCWFKMLNKK-MJGOQNOKSA-N 427.549 2.378 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNc2nccc(C(F)(F)F)n2)o1 1707384538 AOSBHMXSTUVVBS-ZDUSSCGKSA-N 448.409 2.496 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1712692138 LKMJQCJUMNIDST-MRXNPFEDSA-N 429.546 2.257 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H](C)N2CCOCC2)c1 1722307141 ZBCBYPKYXBTEFL-SFHVURJKSA-N 438.576 2.353 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1722432951 URYIBXCJQPEXHJ-UHFFFAOYSA-N 426.521 2.256 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nccnc2C)CC1 1722435953 SPCICLDTRCDVLQ-UHFFFAOYSA-N 447.543 2.059 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)=O)CC1 1722452204 MUCTYQZVAWSFER-UHFFFAOYSA-N 435.557 2.370 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CO)CC1 1722501571 GFISHXAMLBSFDR-FXAWDEMLSA-N 445.589 2.460 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccsc2)CC1 1722560067 PFTHLKOCDHSKTD-KBXCAEBGSA-N 425.580 2.014 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1722679379 YUAUGLTXTJTVQK-UHFFFAOYSA-N 444.561 2.078 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722688821 MGQHNYIALZMRJU-PMUMKWKESA-N 446.379 2.324 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCOCCS(C)(=O)=O)C1 1724011336 PORDYIKCMHOITR-JOCHJYFZSA-N 445.589 2.255 30 10 IEEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 1726631746 HSGYAYXUCBQDHC-HXUWFJFHSA-N 442.589 2.172 30 10 IEEE CN(CCOc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1729552536 DGWKEWMSPBQEER-INIZCTEOSA-N 441.513 2.208 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC[C@@H]1C 1730408421 VBBZODWNBIKTNE-LPHOPBHVSA-N 426.521 2.115 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740575046 NYVCOKPJBOMOKU-NFBKMPQASA-N 449.603 2.056 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740593696 MTMIIFXGYNQMJM-QGZVFWFLSA-N 426.590 2.133 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740621371 WGISJKRUCHQQKK-CQSZACIVSA-N 440.928 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](CC)OC)CC1 1740704878 ZTRGSJGVGDAKDC-LJQANCHMSA-N 425.533 2.345 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740851424 WAURYKBLVCJVKH-KZNAEPCWSA-N 438.594 2.167 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1740917240 LHVGBJHBSWAXEJ-SFHVURJKSA-N 431.562 2.044 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCN(C)CC2)C1 1740983124 BOPNGOFNGOPBJW-GOSISDBHSA-N 448.637 2.009 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1741801592 BQAPIPFNUSTJPE-HRAATJIYSA-N 442.593 2.058 30 10 IEEE CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCC(C)(C#N)CC2)c1=O 1746366618 XIQJKKJOSCRFQR-KRWDZBQOSA-N 428.537 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC(=O)NC1CC1 1748829341 ZZANDAONNGFOES-UHFFFAOYSA-N 429.322 2.167 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)CC=C 1748833733 XVFVSTMODILJSY-UHFFFAOYSA-N 447.358 2.381 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCn2ccnc2C1 1748964519 DVZKMPUGYXUXGX-QGZVFWFLSA-N 425.562 2.179 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)[C@@H](C)CC)CC1 1748983955 DHHUSSHMHHNONY-SBUREZEXSA-N 425.533 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2cccs2)CC1 1749009640 UPMDZEMNGYVODN-QFIPXVFZSA-N 438.557 2.208 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NC(C)C)CC1 1749303788 PGJZLSBELFBKBR-QGZVFWFLSA-N 448.568 2.268 30 10 IEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1749398707 PDKYDJLSHZHTNB-UHFFFAOYSA-N 435.550 2.376 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1SC 1749732299 VCLMCVKSXTVIRA-INIZCTEOSA-N 449.602 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1749736031 YKMBWCGFAWLJAD-KZNAEPCWSA-N 438.594 2.167 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1750099210 KRAZZSGXRNIRDQ-HUUCEWRRSA-N 428.518 2.035 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCSC1 1760200929 XVDFCTJOJQBBSZ-KRWDZBQOSA-N 442.614 2.454 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCCn1cc(Br)cn1 1760238248 NTVABFPIQNAFKJ-UHFFFAOYSA-N 448.369 2.299 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnn(C)n1 1760244298 QDPMKMKTZASIDU-UHFFFAOYSA-N 445.531 2.010 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760332748 AQAHDEVQSZIWCP-LPHOPBHVSA-N 448.593 2.163 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)C)C1 1760555038 UWGAAUJTIRXHBU-IBGZPJMESA-N 436.553 2.470 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760566411 SRJFKONVQLZXBK-QAPCUYQASA-N 429.546 2.377 30 10 IEEE Cc1ncsc1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1761614817 XBJCQNUCOIHUSZ-UZLBHIALSA-N 432.550 2.055 30 10 IEEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)on1 1762685986 ADNMYFZEQGRBOH-SFHVURJKSA-N 434.548 2.386 30 10 IEEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)n1 1767528823 GJAZVMRNLQJZJQ-UHFFFAOYSA-N 433.564 2.499 30 10 IEEE CN(C)c1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1768493050 QDDMPFCHLLDCRL-JOCHJYFZSA-N 425.512 2.265 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@](C)(C#N)C1 1768526474 RUQABNQJRNLTCN-SFHVURJKSA-N 437.957 2.015 30 10 IEEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1768695971 HDUMUAKQRBEPAM-HXUWFJFHSA-N 443.554 2.064 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCC2)CCO1 1769260160 XNEGFQMYCNNZOV-ICSRJNTNSA-N 436.516 2.036 30 10 IEEE CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1769327704 FWPJPCVCJXDMTC-UHFFFAOYSA-N 433.516 2.339 30 10 IEEE COCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1769666483 VLMSMRDRRSSECK-UHFFFAOYSA-N 438.511 2.443 30 10 IEEE COCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769737624 IMXDCTNQHIXVFT-GOSISDBHSA-N 426.521 2.079 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(N(C)C)CCOCC1 1771180548 ONUOEMYRDXKCGW-SFHVURJKSA-N 434.585 2.243 30 10 IEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC2=CCCCC2)C1 1771362259 WWXPYAHXBIBIBR-LJQANCHMSA-N 448.593 2.241 30 10 IEEE N#Cc1cccnc1C1CCN(C(=O)Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)CC1 1848560390 OHKUBBXNDBTKLI-UHFFFAOYSA-N 443.463 2.312 30 10 IEEE COc1cc(OC)nc(C(=O)N2CCN(c3nc(-c4ccccc4)ccc3C#N)CC2)n1 1851939018 FYGVMHXUXLUXJH-UHFFFAOYSA-N 430.468 2.390 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@H](N(C(C)C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1854108785 NXDJTMVYSLGILM-PMACEKPBSA-N 431.558 2.286 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2ccccc2Cl)C1=O 1854352037 RYOYVDPYMSUPQV-MSOLQXFVSA-N 433.936 2.345 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(CCC(F)(F)F)CC3)CC2=O)CC1=O 1855589654 BLCYIKZQZXCPNL-DLBZAZTESA-N 429.483 2.451 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)c4ccsc4)C3)CC2)CC1 1857122344 LVMKXHQTXRXEQB-KRWDZBQOSA-N 428.558 2.211 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1858978004 GKMNMDVDASYOGK-UHFFFAOYSA-N 446.485 2.050 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)cc1 1862736083 UZVWWFLCDWMLLB-SFHVURJKSA-N 425.397 2.015 30 10 IEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870149179 HZSYFPSWBGGPRK-QGZVFWFLSA-N 443.467 2.085 30 10 IEEE C=CCn1c(C(=O)NCc2ccco2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593961 YUTCIRRTKWKWEO-UHFFFAOYSA-N 444.499 2.257 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccncc1 1874275563 YBKUGTYGVWIBDW-UPVZUOOXSA-N 443.577 2.288 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(F)(F)F)cc1 1874432391 CYZMVLOVWNEQAX-PGGKNCGUSA-N 442.467 2.434 30 10 IEEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874498775 FEQZSCSZAVDOBN-UFWORHAWSA-N 426.886 2.487 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)CC1 1889383941 YOXUFSNPHBPLQO-XMMPIXPASA-N 425.573 2.029 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCCC5)CC2)c1 1892116934 NHKPFYZPJFHEQU-GOSISDBHSA-N 435.553 2.379 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1908186638 IAKUHSYEGKVGFT-MWDXBVQZSA-N 439.553 2.074 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)CNC(=O)OC(C)(C)C 2006263144 MESOVBCJGLGIBS-DOMZBBRYSA-N 427.361 2.229 30 10 IEEE C=C[C@@]1(CO)COCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2022246806 ONUJDVASRGSNAS-GEQKSPFYSA-N 434.533 2.261 30 10 IEEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(Br)c1=O 2106011838 CPGPIJUAFIFDIK-VXGBXAGGSA-N 429.290 2.398 30 10 IEEE CC1(CS(C)(=O)=O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2173177745 BWBRNMYKRHJFPR-UHFFFAOYSA-N 445.188 2.014 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)n1 2194178785 HHLOEUBLCNETSL-BDJLRTHQSA-N 446.176 2.430 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)c2)OC1(C)C 2243425234 HEYFTQPETONSGY-UHFFFAOYSA-N 437.305 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247908851 AYWLYSWDZWXHPQ-HXUWFJFHSA-N 440.371 2.053 30 10 IEEE CC(C)(CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248403208 CGHKAVWQPKFZJF-UHFFFAOYSA-N 440.375 2.281 30 10 IEEE C#CC1(O)CCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2248462322 DGEIBKROPQXXPW-UHFFFAOYSA-N 428.529 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1O 2255365163 AGFAAIZOHQITMJ-OAGGEKHMSA-N 433.358 2.457 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255609013 DIMPXDUHSMBAOV-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2csc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2255624903 JYBIEYAEQZCLPF-QHCPKHFHSA-N 442.390 2.414 30 10 IEEE Cn1cc(C(=O)NCCCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255654095 RSERKLPYYUIELJ-UHFFFAOYSA-N 436.362 2.144 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255657297 NEJFQXBOQLIJHD-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255665953 MKYAKOSNEAHKDL-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255700159 YQFGLVHUMYWSCB-DLBZAZTESA-N 432.326 2.008 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255820870 WHTVIKDSAJJPBG-SWLSCSKDSA-N 435.305 2.163 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256623404 DQQKTCANILEFIF-YOEHRIQHSA-N 434.342 2.049 30 10 IEEE CC1(C)OB(c2occc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256926424 AHSKZZXBQCFOEM-MRXNPFEDSA-N 429.278 2.369 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258955534 SBZVOYMEDJTVOS-IRXDYDNUSA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N(O)CC(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2260958277 RWVORIGLKHBADI-UHFFFAOYSA-N 438.305 2.410 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267002639 CQSMRWODHDNPMD-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE CN(Cc1ccccc1)C1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2267183536 NZATWVBFDCUOMC-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267267428 XEFRRZCPQCAXJI-CABCVRRESA-N 446.357 2.199 30 10 IEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267284009 WQQLKEJFRKSLBH-XMMPIXPASA-N 440.349 2.288 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](C)CN1C(=O)OC(C)(C)C 2267495438 MBQYNMKQDQNCOP-CABCVRRESA-N 448.373 2.189 30 10 IEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522431 UTZYJHIGFWLQCL-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(NC(=O)OC(C)(C)C)CC1 2267523593 DUKRPTKTULEDRC-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267875421 GOBNZIZBPQZEEV-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269076592 WSYOSRPHINUWGP-QAPCUYQASA-N 440.305 2.169 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2271952905 UICHLUBZWAFHJN-HOCLYGCPSA-N 448.373 2.235 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300340362 RMTCUTUXVSZXGM-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE C#C[C@H](C)N1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2315338018 BRXYGBCCMRKWGJ-NBGIEHNGSA-N 440.588 2.322 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)[nH]1 2337025068 HRZORIPQYZUUQX-WMZOPIPTSA-N 447.385 2.453 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 24242479 VAUPEYJPVICUHZ-HUUCEWRRSA-N 427.376 2.479 30 10 IEEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cn1 59817625 INWLABOBKKIHPS-UFWORHAWSA-N 427.494 2.156 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(OC)cc3C)n[nH]2)cn1 59886821 WFUDXCJGZRYAIR-AWQFTUOYSA-N 444.521 2.141 30 10 IEEE N#CCc1ccc(OC[C@@H](O)CSc2nc3ccccc3c(=O)n2CCCO)cc1 61733871 OLYGXHIPKVKQPE-QGZVFWFLSA-N 425.510 2.377 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(C)cc2)[C@H](C#N)C(=O)N3)CC1 72444751 WEWJEOQZYCJENC-IRXDYDNUSA-N 435.484 2.082 30 10 IEEE CCCOc1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1Br 169884328 LDWQSGFWDFMCAT-DEDYPNTBSA-N 429.384 2.368 30 10 IEEE COCCNC(=O)c1c(N)n(N=Cc2cccc(OC)c2OC)c2nc3ccccc3nc12 254860969 XDTKXCMGGMUZGC-UHFFFAOYSA-N 448.483 2.442 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 494030509 XCQIJMOFMITTQN-UHFFFAOYSA-N 428.443 2.422 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 498676492 RHIKQQZWXWXMOT-UNMCSNQZSA-N 449.546 2.118 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 508954782 YGVCPLCWHASJJY-IBGZPJMESA-N 433.940 2.406 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511951739 GYQVWGZDMKJIKZ-GOSISDBHSA-N 447.916 2.135 30 10 IEEE CCc1c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cnc2c1c(=O)n(C)c(=O)n2C 513781448 OEKRLPUAJHTJGQ-SFHVURJKSA-N 433.512 2.487 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCOCC 532708602 CTLMTTLYMQQODA-UHFFFAOYSA-N 447.626 2.335 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(OC)cc(C)n2)c1=O 538495371 ALEWNXIZOPWNBG-UHFFFAOYSA-N 449.532 2.426 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CCCC1 546797892 MJCJEPKLAJRDKV-UHFFFAOYSA-N 425.938 2.277 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 549248834 ZEZNTYXXXCFFRN-QZTJIDSGSA-N 430.484 2.482 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1C 558430437 LTOIHNHNCGMMCN-UHFFFAOYSA-N 439.603 2.250 30 10 IEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 559005747 WHTAKFQCYWBLFN-SFHVURJKSA-N 449.559 2.333 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(Cc2ccccc2)c1=O 565637548 JBLRXGTZSVJSGF-UHFFFAOYSA-N 444.491 2.217 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 568330406 ILUZXUVNVNQTRA-UHFFFAOYSA-N 441.536 2.420 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 679530129 CPHKBJHDLULUEB-UHFFFAOYSA-N 426.189 2.043 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)cn1 735069648 XLLDFWANNGSPFT-UHFFFAOYSA-N 431.521 2.105 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(N)=O)c1 736104176 HPTORCPFKXJZIW-UHFFFAOYSA-N 436.921 2.119 30 10 IEEE N#C[C@H]1CN(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCN1C1CC1 748970404 NKPHSXTZNVMROV-QFIPXVFZSA-N 425.577 2.439 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 749789488 VCEMPCOSLPBOBM-RBUKOAKNSA-N 432.590 2.419 30 10 IEEE COC(=O)[C@H](OC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)c1ccc(C#N)cc1 751805391 ZDNGMIGIXNAIEP-OAHLLOKOSA-N 426.809 2.069 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCc3ccnc(O)c3C2)c1 755225468 WBOSKTRJZBZTPK-PTGBLXJZSA-N 429.502 2.190 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)CC(=O)O 757377721 FATSEVVQGRVMHK-QVKFZJNVSA-N 438.480 2.422 30 10 IEEE C=CCN(CC(=O)O)C(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21 757427502 OIILVMGPSFJUHG-INIZCTEOSA-N 438.480 2.375 30 10 IEEE N#Cc1ccc(N2CC[C@@H](OC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)C2=O)cc1 767319353 YLZSNXWVSNVGEN-CQSZACIVSA-N 439.371 2.209 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)c1 772298592 HPJXZAZGOACHRC-UHFFFAOYSA-N 444.354 2.097 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 774166460 ODNHZLBXJZRHOC-KNKQGSTJSA-N 431.602 2.496 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 781395550 ZGBSBOZHJBQEMT-UHFFFAOYSA-N 434.452 2.390 30 10 IEEE N#C[C@H]1CN(C(=O)CCOc2cccc(I)c2)CCN1C1CC1 783441523 QFJCLGDYOWRJLG-HNNXBMFYSA-N 425.270 2.259 30 10 IEEE C=CC[C@]1(C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)CCCN1C(=O)OC(C)(C)C 800371187 SKRMKCIGJBMKCY-HSZRJFAPSA-N 444.532 2.447 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CCCN1C(=O)OC(C)(C)C 809623826 AQRAFACVIAMFEI-HXOBKFHXSA-N 431.508 2.379 30 10 IEEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 816311850 BEXOBFSRRPFDJS-OAQYLSRUSA-N 425.452 2.013 30 10 IEEE CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 857679790 FHHJSNAPMBENOY-NSHDSACASA-N 433.511 2.201 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCC(=O)N2 918357943 QUTLSJOCJLFNQY-MRXNPFEDSA-N 442.497 2.254 30 10 IEEE Nn1c(NN=Cc2ccccc2F)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1083957839 KXUMZYAAWCQCEJ-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE C#CCN(CC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)C(=O)OC(C)(C)C 1137287019 WWMHBTFTDOLSGK-UHFFFAOYSA-N 434.968 2.449 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 1138075240 IEKPTVMDNLGAFP-QHCPKHFHSA-N 440.500 2.135 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)C2=O)cc1 1138181604 XKUKNDJIVUZXKA-RDGATRHJSA-N 432.524 2.197 30 10 IEEE C#C[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)CC)c1ccc(Br)cc1 1141461164 PQKOWSBVYRMTBU-GJZGRUSLSA-N 433.393 2.301 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCC(F)(F)CC1 1148549898 XHNFPEFARBLSFP-OAHLLOKOSA-N 443.516 2.341 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)c1 1150625867 HFAXFAOFKNBTPF-DYVFJYSZSA-N 438.502 2.149 30 10 IEEE CNC(=O)c1cccc(N(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1156046938 ZLPMGFBTJURVIQ-UHFFFAOYSA-N 442.541 2.308 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)C1CCN(S(=O)(=O)c3ccccc3F)CC1)C2 1158215584 GSGIKRWQTIPBJS-UHFFFAOYSA-N 448.545 2.327 30 10 IEEE CCN1C[C@@H](CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1165356922 LIFRVTPJPHXBSE-OXQOHEQNSA-N 426.517 2.377 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCCNC(=O)OC(C)(C)C 1170436094 ADMXXKTYVRRZAE-INIZCTEOSA-N 427.542 2.341 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1286277559 ZWJJKKKIJBORFZ-HOYKHHGWSA-N 439.560 2.379 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286335977 GMCQTGGBSVXXGC-HSZRJFAPSA-N 425.508 2.441 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286672040 FQWDBQJBZHIEGU-ROUUACIJSA-N 437.610 2.087 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC 1286744215 FPNOQJCHQLUTFG-UHFFFAOYSA-N 437.479 2.393 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccn(CC)c2=O)C1 1286815018 ZCZSUJYKYCCXFY-ZCNNSNEGSA-N 443.548 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCNC(=O)[C@H]1CC 1286815148 MVQRRXVCNLLAGR-MRXNPFEDSA-N 443.529 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(C)C)C1 1286816392 IJEDKSBCHPGZLO-LJQANCHMSA-N 429.546 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(Cn2cncn2)CC1 1286817342 RLZDXJRDVRYMKQ-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE NC(=O)c1ccc(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 1289424421 JSCKFBFHMHBGKX-IUCAKERBSA-N 431.283 2.352 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1294896936 BZGCSTFAGIWWPL-PMACEKPBSA-N 438.532 2.495 30 10 IEEE CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1295074353 IGPYQLPOOYRMIA-CTNGQTDRSA-N 429.528 2.486 30 10 IEEE CC[C@@H](COCC(F)(F)F)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1298388727 LHOCKCBOAHPPBN-ZFWWWQNUSA-N 426.395 2.237 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300380628 DFNUYYBGDSBVHS-IAGOWNOFSA-N 443.891 2.389 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1300382682 ZGKHJHRXDZQUAT-HKUYNNGSSA-N 438.594 2.209 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300407819 DMVZTBAPDUKOKJ-OKZBNKHCSA-N 431.537 2.368 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300489750 RQWWAODKLDOBQU-VQTJNVASSA-N 427.574 2.056 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@@H]1C 1300560986 KIDARIPTBYLRIC-AUUYWEPGSA-N 432.322 2.039 30 10 IEEE COCc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1301167187 FYXOKQFRKSIERB-HRAATJIYSA-N 446.577 2.213 30 10 IEEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C)C1CC1 1301322054 CKKMTGJVROIIAE-UHFFFAOYSA-N 435.532 2.479 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOCC2(C)C)C1 1301565754 GEKVDBCSUZUNRF-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301611659 PPEKAVCVLXYEPR-HNNXBMFYSA-N 432.598 2.318 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCOCC(F)F)c1 1302986537 GDQQGZHLQZYCOP-GOSISDBHSA-N 446.502 2.257 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1304409898 IECRBMZURIMSAR-XXBNENTESA-N 442.539 2.454 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@H](C(F)(F)F)O1 1305153862 GBJXRJZBTOMYTC-XOKHGSTOSA-N 437.422 2.388 30 10 IEEE CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1310113188 AGHDHIPCBASWNI-UHFFFAOYSA-N 444.517 2.138 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1 1312353654 KKPLVWIMFMFLPR-UHFFFAOYSA-N 443.591 2.193 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)cc1OC 1314175142 CWUFTHXGYWCRFX-NRFANRHFSA-N 440.483 2.476 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1316535862 FEBPUPPCRXQPRC-LJQANCHMSA-N 440.523 2.410 30 10 IEEE C#CCN(C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1320033191 SGDOIPPSGXLSLR-QUCCMNQESA-N 426.542 2.141 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1C#N 1324451224 GUDRGMYHQUPWCS-SJLPKXTDSA-N 430.553 2.332 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)CC2)cc1 1339584281 SFPYJTMJUNFENI-UHFFFAOYSA-N 425.510 2.378 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CCC(S(C)(=O)=O)CC2)c1 1354286271 PTHVWWKNYBBKPI-UZYVYHOESA-N 441.575 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H](c1cccs1)N1CCOCC1 1358975201 HEKZBQIFPABMNA-HXUWFJFHSA-N 434.569 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-n1nc(C)cc1C 1358981386 HZFZFKYCKZHPIE-UHFFFAOYSA-N 441.539 2.324 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC[S@@](=O)C(C)(C)C 1358982843 MLHVXCZQVJCJIZ-SSEXGKCCSA-N 428.558 2.486 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1359002830 OMMKOHSEQKNYTP-KRWDZBQOSA-N 431.562 2.082 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCc1ccnc(C(C)(C)C)n1 1359023767 VXUVKKQSSVJKDL-GOSISDBHSA-N 439.564 2.036 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)N[C@H](C)CC)CC1 1359034624 XYUHLATVFGENCD-LJQANCHMSA-N 447.587 2.497 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359083226 FBNBZKHMXRCOFQ-LSDHHAIUSA-N 439.358 2.469 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 1359195954 UZKYZRGSFSYQIR-ICSRJNTNSA-N 436.560 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(c2ccccc2)CC1 1359335892 YBLLTLHOCZYKEK-UHFFFAOYSA-N 433.578 2.132 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359336327 MFEGZKMVDRFSGE-UHFFFAOYSA-N 434.610 2.317 30 10 IEEE CC1(C)OC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](c2ccccc2)O1 1455384133 PRYFGVLIIDITGQ-YLJYHZDGSA-N 443.525 2.124 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1ccc(C#N)cc1Br 1460449963 JQKHROLYLUZWHT-LJQANCHMSA-N 440.338 2.409 30 10 IEEE COC(=O)[C@@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1460465184 FXESBKUXDSPGHH-JOCHJYFZSA-N 428.464 2.307 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1463163619 ONLCASCUSINWID-IINYFYTJSA-N 437.237 2.478 30 10 IEEE COc1cc(C#N)ccc1C(=O)N1CCC(n2nncc2I)CC1 1470129782 YNNDEPYYNGLSNX-UHFFFAOYSA-N 437.241 2.240 30 10 IEEE C#C[C@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCOCC1 1470312063 NVOIHJZBRZZKKR-IBGZPJMESA-N 428.533 2.297 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@@H](N(C)C)C(F)(F)F 1471758593 ORMRISNRDGXAST-GOEBONIOSA-N 448.511 2.283 30 10 IEEE Cc1c(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)sc2ccc(C#N)cc12 1475137139 FGYHGFDBPNWZJH-KDOFPFPSSA-N 440.568 2.096 30 10 IEEE Cn1cc(CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(-c2ccc(C#N)cc2)n1 1475185572 CILAFDYBYIBUOK-UHFFFAOYSA-N 429.889 2.190 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 1478396919 NJGWPMFEJCRTBH-QAPCUYQASA-N 433.350 2.260 30 10 IEEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCN(CC)CC1 1503187031 JVJYOURWQWWENX-IBGZPJMESA-N 425.581 2.315 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ncnn1-c1ccccc1 1505058613 JSZYHEUFYBKSMQ-UWVAXJGDSA-N 436.520 2.227 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCOCC(F)F)CCN1C1CC1 1505325479 SQUDDAANYMQKHB-SFHVURJKSA-N 431.491 2.112 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1507581002 KTFPUZMPJMBHSR-KRWDZBQOSA-N 438.536 2.489 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1507629121 ZSFOEECJUZKWQF-UXHICEINSA-N 430.574 2.483 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1507630424 YPWZKZIQLKPFTN-KRWDZBQOSA-N 426.498 2.222 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507633336 FYCLCWLDYQNHLP-IBGZPJMESA-N 430.574 2.491 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507654186 XIOMQCGKXCLBNJ-GUDVDZBRSA-N 446.617 2.483 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1507756874 ZUPCRJYHMDUBGQ-GOSISDBHSA-N 427.574 2.140 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1508091605 VPVRTYHKWWJWOV-LEWJYISDSA-N 438.576 2.185 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)C(C)C)C1 1508127509 VKILCHZAOCBHPR-PXNSSMCTSA-N 441.532 2.344 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1508156178 VMGIVCVTINWJAH-GOSISDBHSA-N 428.566 2.392 30 10 IEEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)s1 1511735422 DZAVRNDVJVXUEL-HXUWFJFHSA-N 428.566 2.323 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1513016200 FQBYCSMZHUYVMM-SJLPKXTDSA-N 436.564 2.300 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)C1 1516024258 NINNTYUJZOGMFA-LJQANCHMSA-N 446.577 2.150 30 10 IEEE CCSc1cc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)ccn1 1516880826 CKBXWMNLGPRPJA-WBVHZDCISA-N 432.550 2.286 30 10 IEEE COCCOCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1519398112 JVLAHPYSOVPMRM-AWEZNQCLSA-N 436.310 2.099 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCC[C@H]1C 1539153704 IYJYMUXPEZXLJQ-QVKFZJNVSA-N 430.578 2.167 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCN(C(C)=O)CC1 1539155636 WUJWNWCZOKJBMZ-UHFFFAOYSA-N 441.532 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nc(C)c(C)s1 1539249918 FHICITCOKAYTJF-UHFFFAOYSA-N 443.540 2.310 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)CCC(C)C)CC1 1539459871 QQYUGSLFCHFQFZ-QHCPKHFHSA-N 427.597 2.082 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnc(C)s2)CC1 1539461951 OTFOGVDWQLGSPZ-UHFFFAOYSA-N 438.557 2.434 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539750609 BDDCBPDMONFOGG-KRWDZBQOSA-N 431.562 2.399 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1)c1ccccc1 1539766178 PIBLGUBGDVZSFA-ICSRJNTNSA-N 444.605 2.276 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539990164 FSIKNCGWVKGQBU-GOSISDBHSA-N 435.536 2.382 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NC)CC1 1540028152 KEXYOHKDXJTNAI-UHFFFAOYSA-N 427.505 2.229 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1540047800 MLXVDPMIPPGPBV-CYBMUJFWSA-N 447.483 2.500 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1540055056 ZCFKFOXGAIXTDX-QZTJIDSGSA-N 447.605 2.470 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3c[nH]c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1541004870 AOYREBLOZLZFNC-KRWDZBQOSA-N 434.548 2.186 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1541195757 BTHACSDPTPSCEC-KRWDZBQOSA-N 437.548 2.213 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1541693043 NKHHSUCROBYLED-SFHVURJKSA-N 432.532 2.237 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCS1 1542012085 DSPQXUNDZUISEM-UHFFFAOYSA-N 449.602 2.495 30 10 IEEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1542714497 CDWQRUGPFLJMAF-OXQOHEQNSA-N 432.525 2.120 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1 1547703376 DNGWJZVKSOBFSP-FQEVSTJZSA-N 436.608 2.420 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)C1 1555700989 YDDJUCQUMBQTGQ-KRWDZBQOSA-N 425.518 2.267 30 10 IEEE C=CC1(CC(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1556541340 TVJNFCFUQOANRZ-CVEARBPZSA-N 429.583 2.024 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 1564847782 SQGZRZIHRBAKGD-UHFFFAOYSA-N 430.940 2.172 30 10 IEEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(N2CCOCC2)cc1 1583675831 AGZRQBRVZFNUPY-OAHLLOKOSA-N 431.489 2.451 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C2CC2)ccc1F 1588180362 CVYNAGOMGGYSPT-MRXNPFEDSA-N 443.548 2.416 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1588848725 MQRVWVKQKIBMRU-UHFFFAOYSA-N 438.551 2.022 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCOC)cc2)CC1 1588848996 UNVULVIVKXVJAO-UHFFFAOYSA-N 446.555 2.093 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1588891283 NGLJHRABGSXOMX-UHFFFAOYSA-N 449.481 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)C2CC2)CC1 1588946996 JSEWQWGKKCHNLN-DEOSSOPVSA-N 439.535 2.135 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1589663396 MRYDEFKSQLHDIV-INIZCTEOSA-N 449.552 2.152 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(CC)nn(C)c2OC)CC1 1594009017 DBHLJKTWOSIHJK-UHFFFAOYSA-N 436.520 2.435 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1595303620 WHRGGGRMQLVBMX-HNNXBMFYSA-N 438.525 2.015 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595854908 QTQATENITDISBO-INIZCTEOSA-N 436.969 2.254 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](Cn4ccnn4)C3)C2)C1 1596982438 JZYOGFCLTQHXPF-KYMGHPBBSA-N 428.537 2.304 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1598195099 GYVMHPVCSNOZAS-PMACEKPBSA-N 435.525 2.198 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1611781486 FZLZIJCCIWLMTR-DYESRHJHSA-N 435.594 2.251 30 10 IEEE Cc1ncsc1CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1611871433 YTVWFBZITNFMRE-VHEBQXMUSA-N 427.534 2.158 30 10 IEEE Cc1cccc(OCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1612252355 IFYMUQSBWZPLCK-NFBKMPQASA-N 441.532 2.435 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCOCC1 1625326605 CGMOHJILVMGXFL-QGZVFWFLSA-N 443.548 2.312 30 10 IEEE COC(=O)[C@H](C)c1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1626303820 GQPJVUFWUVTKEK-UONOGXRCSA-N 429.498 2.419 30 10 IEEE C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1629980325 PHXKCQZROGSILO-OAHLLOKOSA-N 426.844 2.129 30 10 IEEE C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)(c2ccccc2)CC1 1630896375 UPPZXFJXINVKCX-UHFFFAOYSA-N 429.524 2.348 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)C1 1633836105 CZSWZOTZINNTPJ-SJLPKXTDSA-N 432.318 2.354 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)C1 1638203222 KSSXFPPOSAMBSP-WMLDXEAASA-N 427.505 2.322 30 10 IEEE CC[C@H](CC#N)NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1643344025 FGZHKJSDMGJMAW-AYCSXLNKSA-N 446.554 2.015 30 10 IEEE C#CC[C@]1(C(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)CCCN1C(=O)OC(C)(C)C 1643809802 SIQJWPIMMWGSDI-DHIUTWEWSA-N 427.501 2.126 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)cc(OC)c2)c1 1645017715 ZSFZUWCPMLVDAW-UHFFFAOYSA-N 437.315 2.299 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c1 1648343938 GLGNUXJNLZVNGW-UHFFFAOYSA-N 445.541 2.131 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccnc(C#N)c2)c1 1666766833 FRYFWZDENJCMRI-UHFFFAOYSA-N 442.950 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCC1 1689846666 MKGKGRRLNGNXKH-INIZCTEOSA-N 430.578 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1689852250 CPRSWHUVHUOZLI-RCCFBDPRSA-N 431.537 2.390 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1689950902 FXDAYAQEQQLVGF-SFHVURJKSA-N 447.503 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(C)(=O)=O 1690027088 YUHIWIQWRQIQEC-UHFFFAOYSA-N 441.340 2.281 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1690072402 HENOEJWIEJYNPW-HXUWFJFHSA-N 433.560 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCCCC1 1690097197 CGIXKKODBHJUPD-UHFFFAOYSA-N 430.940 2.482 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CC)C1 1690174811 KOVVQYXJMZGKPL-IBGZPJMESA-N 441.605 2.434 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1690236914 TXRAKYGPQOFOMK-PXNSSMCTSA-N 438.532 2.065 30 10 IEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CC1 1692663713 BKNFVVFCCLWMGE-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1695987412 QLBAREGIOSZTRQ-KRWDZBQOSA-N 435.488 2.492 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1697190726 AVJITVZFMBAEFA-APWZRJJASA-N 426.521 2.067 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccccc1C1OCCO1 1698060438 FRTDSJWEPNCWJN-UHFFFAOYSA-N 435.488 2.195 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCOC(F)F)CC2)nc1 1698487814 BJUJQNCPMCTDRM-UHFFFAOYSA-N 428.447 2.496 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1705612357 FOQZVODTKRZCTC-QUCCMNQESA-N 445.589 2.183 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1705612607 KMZDPVZETLUMAK-KRWDZBQOSA-N 442.520 2.013 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCN(C)C1 1705621428 COZNXLYJZHCILD-YKSBVNFPSA-N 441.576 2.188 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705662495 AFZLGIXJHUILOK-FQEVSTJZSA-N 437.573 2.425 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1705717705 PXUYWKWOJMRJMD-GOSISDBHSA-N 437.610 2.375 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1705733987 ZGEFIKKDVSMDOE-JOCHJYFZSA-N 429.521 2.257 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705902808 JTLUMBJCKYXMHZ-RTBURBONSA-N 427.553 2.129 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@H](C(F)(F)F)O1 1708183084 WMUBBQAEEITBML-XJKSGUPXSA-N 447.425 2.050 30 10 IEEE C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1712841836 RFVIPUTXXVRLOQ-JKJUUDSJSA-N 438.507 2.384 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722322863 PSKPTFQBRNPMNM-REWPJTCUSA-N 442.564 2.224 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1722336529 MYAVWDVLNLBCKO-KRWDZBQOSA-N 429.471 2.409 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1722382651 BOOZBVGYXFUZQW-LJQANCHMSA-N 443.548 2.086 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC(C)CC2)CC1 1722450735 PGBQWCAQXOLILS-OAQYLSRUSA-N 442.608 2.217 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)OC 1722654438 NILKSHPWZLVHQC-AEFFLSMTSA-N 434.562 2.416 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC(C)CC2)C1 1722709042 IOYIIGXXJNCXGI-WOJBJXKFSA-N 430.597 2.416 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCc2cccc(C(N)=O)c2)CCOC1 1722863963 NNRWGWZQHGYDTJ-SBUREZEXSA-N 440.548 2.256 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1722868728 LIZAMSCOGUMIRL-NQIIRXRSSA-N 440.548 2.499 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1=O 1723772871 BNIWEPZVJSYUOZ-QGZVFWFLSA-N 448.535 2.062 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCC(F)(F)C(F)F)n1 1726058390 LFQDHNMLYNAWBZ-QGZVFWFLSA-N 447.412 2.499 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1729339702 NMIDPIBNNLEQAL-NRFANRHFSA-N 434.548 2.470 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730481767 RDLVUFBOQNFLJY-MRXNPFEDSA-N 442.499 2.071 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(C)COCCO1 1740680427 BEYSWCAXARAJDS-HSZRJFAPSA-N 436.516 2.227 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccccc2OC)CC1 1740704016 GADRXMXAYWZSSU-UHFFFAOYSA-N 432.528 2.490 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC(C)(C)C1 1740752647 YUVLVBLAOVWBFE-ZACQAIPSSA-N 425.599 2.496 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@H]1C 1740762258 SDHQFDHONWLEBI-ZKXLYKBJSA-N 440.635 2.492 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1740941857 VEHSKVVZFAZRTL-HXUWFJFHSA-N 433.597 2.456 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1740959949 HSZRUZVRLWHECF-XUVXKRRUSA-N 430.597 2.175 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCCCC2=O)CC1 1740963097 YXYPNWNAJFBCDO-UHFFFAOYSA-N 442.589 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1740992640 KIUDMPWNLVCEFX-JOCHJYFZSA-N 446.573 2.095 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1741131742 HHZFSDJIOKSGLK-NEYJZJCJSA-N 436.626 2.287 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1741637897 ZEVNAZITCBKWAE-LJQANCHMSA-N 432.532 2.383 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1741640389 ZLWBGBAHSURWRJ-IBGZPJMESA-N 432.532 2.383 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(-n3cncn3)c2)CCOC1 1746649515 HIDSLBPZJQCOED-HTAPYJJXSA-N 436.520 2.155 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCSC1 1747432624 DXZCGUSTKJZDIL-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1748637498 AWLGBECMESCIJP-JTQLQIEISA-N 431.850 2.328 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1748741086 ZUBUCEFOPIRAAB-MRXNPFEDSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748804130 DJOXSRVJNGQNHR-HXUWFJFHSA-N 428.558 2.359 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1749051769 NANUBVDSSCMORD-HSZRJFAPSA-N 444.499 2.319 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC[C@@H]1C 1749197317 WNQYBCINFFWQCL-QFBILLFUSA-N 446.577 2.006 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1749201050 LLSKGMOPNPYDRI-GRNWLOBZSA-N 436.516 2.333 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1CC 1749582316 JAKFDVABIFSQAG-UHFFFAOYSA-N 434.548 2.409 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1CC 1749666722 QUTDRKYZYDDJDB-QAPCUYQASA-N 435.532 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1749733779 CAYLVSOUEQTPTB-XMSQKQJNSA-N 446.573 2.135 30 10 IEEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C2CC2)O1 1752292060 JPLMTESJTJGKCZ-XFBDTWKKSA-N 428.537 2.106 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760180531 GYRDGEYMKRDYBH-OALUTQOASA-N 430.574 2.218 30 10 IEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760187018 SMUHSYGVTSEDFZ-CRAIPNDOSA-N 448.932 2.170 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCCCO1 1760214853 DQGLXHLKIPNPEX-NRFANRHFSA-N 430.516 2.343 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1760347431 ZUNRBXRRWDGVHI-INIZCTEOSA-N 427.505 2.047 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1760355695 SGSZKTDSDTUDNX-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC2CCOCC2)CC1 1760396355 BFZAOJLXKGAQFZ-MRXNPFEDSA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 1760516765 UYYMDFYOBFVSJO-HXUWFJFHSA-N 438.576 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1760520608 UAJAUUNTLQYKBH-UHFFFAOYSA-N 447.543 2.368 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)CN2CCOCC2)CCOC1 1761437655 PHMBWEUFJMQPMW-XQBPLPMBSA-N 434.585 2.025 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1766687675 WOIPGSUMRJLXFQ-MOPGFXCFSA-N 429.546 2.257 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1767063996 RMZKUNMTQQHAAX-RBUKOAKNSA-N 427.530 2.033 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C1 1767868116 AUVZTZDXXWBRIU-GOSISDBHSA-N 448.483 2.229 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1)CC(F)(F)F 1768911624 HVWYDQSBYLWDHQ-MRXNPFEDSA-N 449.481 2.403 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1769844705 CAVDKBOVPYRBRT-INIZCTEOSA-N 436.557 2.452 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCSCCCO)cc1 1770735703 NJMYTMARQSFOJW-RBUKOAKNSA-N 440.573 2.180 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1771030766 ZBSPXLSVBFQODS-IBGZPJMESA-N 447.561 2.169 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1771533958 HIQWPHMPVBJOPU-INIZCTEOSA-N 444.517 2.418 30 10 IEEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1851385645 CCOSLWVEPGPLAA-UHFFFAOYSA-N 433.917 2.375 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854524278 GZNQQBBSPSZNSM-UHFFFAOYSA-N 429.473 2.078 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1856223058 ZYNDKYSOVDJBNT-AWEZNQCLSA-N 431.901 2.415 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)C(=O)O2)CC1 1856653575 XVIWCUWMXQRGFL-IBGZPJMESA-N 431.514 2.092 30 10 IEEE N#CCC(=O)N1CCCC[C@H](N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1857435508 KYBWDZKCJYQCIY-ROUUACIJSA-N 437.949 2.323 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCCO2 1862608135 HMOYYGHIPRTNKR-LJQANCHMSA-N 439.420 2.117 30 10 IEEE COC(=O)COc1cn(C[C@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870265038 ICVWPOHBWAGYBJ-LBPRGKRZSA-N 431.514 2.265 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccn1C 1874436274 TWIMITOPCLZSPO-FOKLQQMPSA-N 439.545 2.483 30 10 IEEE CCCNC(=O)CSc1nnc(CCC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874506411 BAYHYWUACJAACX-SRZZPIQSSA-N 448.505 2.411 30 10 IEEE CCCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874506416 BFXWAEZDVUTKFK-CNHKJKLMSA-N 428.312 2.167 30 10 IEEE COCCn1cc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)cn1 1889349932 FIQLLJOJRHFMLY-VQTJNVASSA-N 427.530 2.433 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCN2CCC(C#N)CC2)[C@@H]1c1ccc(C#N)cc1 1889775666 ZLHRFRYVPNGFSM-FCHUYYIVSA-N 439.585 2.304 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN2CCC(C#N)CC2)cc1 1890546714 IKJLEUNLTZBVGW-NRFANRHFSA-N 446.617 2.489 30 10 IEEE C=CCC1(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)CN(C(=O)OC(C)(C)C)C1 2010226426 AIHCHHFLENDFAO-JKSUJKDBSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]1(C(=O)Nc1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2072432752 AAKKQPNEJVEBGJ-IPVJXJPOSA-N 430.314 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128721791 XWUROPOQUNJTTR-SFHVURJKSA-N 446.353 2.238 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@@H](CS(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2172778101 LDKGPOYIZMNSFJ-GFCCVEGCSA-N 445.188 2.014 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#CC(=O)O 2229117919 FWJMVOQQAOHZEG-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE C[C@@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243690142 OXYUTMHGWVOMBG-LBPRGKRZSA-N 425.360 2.362 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247880557 HLVBMIAIMYSFOL-UHFFFAOYSA-N 440.371 2.131 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254810139 TXGIDNBPVLKTKB-DLBZAZTESA-N 431.342 2.205 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255532504 NGPLJVFCQVFQKC-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632342 LURDAYAQHXWWKN-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255635989 OCXBCNDPHVNNLU-OKILXGFUSA-N 449.382 2.381 30 10 IEEE CC[C@@H](CN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255693905 KDYTWUQDPMTCFD-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256621279 SEBMWNLMHZOVGU-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256626646 MMVZJXOMRWFUSV-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC1(C)OB(c2cc(F)ccc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2266988555 QDYDMYJIBLNMNB-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@]1(C)CCN1C(=O)OC(C)(C)C 2267167287 DHKULPXUUIARBQ-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267178544 DJYQNWKSFAECIG-STQMWFEESA-N 444.259 2.498 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267180608 GQDIOPKQQVUVFE-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267183127 LFPLEAJSMUBLPS-MRXNPFEDSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2267480595 CDPMPAKJTDZVFX-CVEARBPZSA-N 443.353 2.462 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267510693 PJVHDZBKWLRKMB-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267519640 JRMKSCGWHIQERR-IBGZPJMESA-N 438.381 2.280 30 10 IEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267519740 KFWGOLAZBQAGLJ-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE Cc1c(C(=O)NCc2nccn2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525187 AWDUKYMMEKPGFU-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268641284 BAWKPNXNQXHNPW-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263104 JYYATVYOYPNAJK-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1C 2337327463 GGHFHWVYUYXBKP-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE CCOC(=O)c1ccc(NC(=O)COc2ccc(C=NNC(N)=S)cc2OCC)cc1 263629511 QEVVHFVPZJQVRG-UHFFFAOYSA-N 444.513 2.447 30 10 IEEE CCCN[C@H](C#N)CCn1cnc(I)c1I 304429615 QTSIOEJCEPLSGO-QMMMGPOBSA-N 444.058 2.374 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)C2=O)cc1 436626834 LQFROYVXFPWIFY-PMACEKPBSA-N 432.480 2.180 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3nnc4cc(C)ccn34)nnc12 446883789 MAOZJYXHGDDPEV-UHFFFAOYSA-N 446.496 2.312 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 461279498 WAFVAFFVCNHMHS-INIZCTEOSA-N 442.526 2.301 30 10 IEEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NCCOc1ccc(C#N)cc1 466104706 QLWSCJJYTAUFLC-MRXNPFEDSA-N 435.484 2.342 30 10 IEEE C[C@]1(C[C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)NC(=O)NC1=O 480335209 NTEOMRJZUFQSDC-JLTOFOAXSA-N 441.879 2.382 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481495539 TXNGSZXMIONWTG-OAHLLOKOSA-N 428.470 2.348 30 10 IEEE Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1S(C)(=O)=O 486966466 LMZQPOKAVILCHA-GOSISDBHSA-N 426.498 2.193 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 500671359 WVXRYFDYUJGVFW-UHFFFAOYSA-N 439.877 2.489 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 508808780 IJCFCZGPTOOAQL-UHFFFAOYSA-N 443.555 2.161 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 527028276 YFBRNBPMNYDGGT-UHFFFAOYSA-N 434.496 2.293 30 10 IEEE N#CC1(c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)cc2)CC1 539706653 ZRWKKBMKXMZOMV-UHFFFAOYSA-N 427.482 2.221 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 549279785 NAUHDPUDSYEMLC-INIZCTEOSA-N 425.580 2.193 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 558990771 HHTRJIFBQWLZIP-FQEVSTJZSA-N 431.512 2.412 30 10 IEEE O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)NCCOCC(F)(F)C(F)F)C1 584250009 MPCWGWWVSCNDLG-SNVBAGLBSA-N 425.345 2.394 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc([N+](=O)[O-])ccc3OCC)N2N1 588226867 GWSRXRZEBFVURI-LJQANCHMSA-N 437.481 2.056 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)N2CCc3ccccc3C2)cc1 609736341 GYRFIFYXQREXCB-HXUWFJFHSA-N 449.536 2.166 30 10 IEEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 619850912 FUTRSZFIHXLBPM-FQEVSTJZSA-N 430.516 2.421 30 10 IEEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669398 OMFCPMCOTHPYEI-UHFFFAOYSA-N 441.516 2.343 30 10 IEEE CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NCc1cccc(C#N)c1 746534803 XYOFSGOFQOSGRQ-FQEVSTJZSA-N 429.423 2.450 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3cccc(C#N)c3)C2)CC1 749350527 FHXWZHRKPRERMS-FQEVSTJZSA-N 440.544 2.419 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(S(C)(=O)=O)ccc2N)cc1 750413720 DFOLMHBUVYBPNL-HNNXBMFYSA-N 429.498 2.473 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)CC1 758664044 SZVMNFXBEDKFNA-JOCHJYFZSA-N 433.508 2.201 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)C1 760294868 BILGADXRADWJOU-WMZOPIPTSA-N 443.573 2.399 30 10 IEEE C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1=S 764865001 NAJJUJWHYZULJB-KRWDZBQOSA-N 428.562 2.190 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 771291766 MFGBWJOEFBOZBL-BMCXAMSBSA-N 437.566 2.316 30 10 IEEE C#CCN(C(=O)N[C@@H](C)Cc1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 774261015 DXNXATNFRKNFQH-WFASDCNBSA-N 431.327 2.351 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCO1 776403618 AHEJAPKVNBVXKI-XPWALMASSA-N 438.549 2.408 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)n1 788651138 XBCLRCOHPBZRSY-UHFFFAOYSA-N 430.472 2.326 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)n1 789038632 IDWMYVWJOZCZDM-UHFFFAOYSA-N 438.576 2.409 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCCc2cnn(C)c2)C1=O 790758136 AZEBYJSUUHPKBL-KRWDZBQOSA-N 448.618 2.114 30 10 IEEE C=CC[C@@]1(C(=O)Oc2ccc(C(=O)NCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 791807953 CDNOZZNATWILMB-QFIPXVFZSA-N 431.489 2.153 30 10 IEEE Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NS(=O)(=O)CC1(C#N)CC1 793200674 CYTLBCCKEBOBOY-UHFFFAOYSA-N 441.435 2.195 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccc3ncccc3c2)sc(=Cc2ccccc2)c1=O 794580819 COEOXHVPVRSYOI-UHFFFAOYSA-N 441.512 2.490 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)Nc3sccc3C#N)CC(=O)N2C(C)(C)C)cn1 796420948 TXGYRFJSKQULLS-RHSMWYFYSA-N 429.502 2.223 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2cc(Br)ccc2OC)cc1C#N 803672966 BBEJZLAGALDZCG-UHFFFAOYSA-N 432.274 2.271 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)s1 807247953 HKPWJPWNEDVPLJ-UHFFFAOYSA-N 448.504 2.481 30 10 IEEE C#C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1 812486395 NNIAAPLQNNRURW-SFHVURJKSA-N 432.477 2.456 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 812541064 NTMFANFXFZXEJU-NRFANRHFSA-N 440.521 2.376 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 814665837 SRMZOLGMACJWHC-LJQANCHMSA-N 426.517 2.375 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cnc2c(c1)CNC2=O 1135027673 YJVGKAYHBHKZPV-UHFFFAOYSA-N 431.246 2.375 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1138049329 UDTHDKTWEVLPFA-KBPBESRZSA-N 441.916 2.264 30 10 IEEE C[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 1179393984 PGCGXKZGGZMJIN-AWEZNQCLSA-N 430.486 2.333 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnnc2Cc2ccc(Br)cc2)c1 1188806221 NCNZBFZZHMLQEB-UHFFFAOYSA-N 439.273 2.356 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCS1(=O)=O 1286403979 PSNXBMMRYOTHPJ-SFHVURJKSA-N 442.541 2.002 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCCC1 1286431207 MXDHRYNGXAJXSR-HXUWFJFHSA-N 447.605 2.044 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCC1=O 1286443725 NIDVPQKRROJWIW-UHFFFAOYSA-N 433.516 2.456 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)c(O)c1 1286467344 VTLCRCYXJIPCNA-UHFFFAOYSA-N 427.530 2.482 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccsc2)n1 1286471424 MTXQDXQPUABMBU-UHFFFAOYSA-N 436.545 2.271 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC)cc2)CC1 1286491923 BOKDTKDDQUJINT-FQEVSTJZSA-N 437.544 2.195 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[C@@H]2OC)CC1 1286494952 WKFHYNWYFHHIPA-AABGKKOBSA-N 429.565 2.301 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1286570361 WHBCRZSQUSLCSP-UHFFFAOYSA-N 447.609 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286785683 PQVAMKKUIMLEQY-HNNXBMFYSA-N 429.525 2.021 30 10 IEEE CC(C)CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287855423 ZQMCOUCXJJUCEQ-MSOLQXFVSA-N 431.610 2.185 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N[C@@H](C)CC)cc2)cc1 1290971907 SSKXUSLTZMEQEO-INIZCTEOSA-N 427.526 2.056 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCn1ccnn1 1300276182 ITBXZBFHAIRMPC-OAHLLOKOSA-N 425.493 2.111 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1300648985 RPWZJKRGTHEFNG-HKUYNNGSSA-N 425.508 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)C(C)C)CC1 1300729207 QLSHHVSZIJKPCN-QFIPXVFZSA-N 429.590 2.303 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1300767141 RYTJSVMXHVHALB-RTWAWAEBSA-N 440.617 2.177 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300843824 JXKRSIIOBONHRR-HOTGVXAUSA-N 426.359 2.385 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1300890542 HFBKKPUVPXSKCZ-SIKLNZKXSA-N 441.580 2.213 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300989528 PFDPCRDSZXTTCC-HXUWFJFHSA-N 447.580 2.188 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1300992100 UEJMCKJJLSTOHJ-KRWDZBQOSA-N 438.532 2.257 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCOC1 1301422640 RHLKDUADKZMTQV-QFIPXVFZSA-N 425.489 2.390 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CC2(C(N)=O)CCOCC2)C1 1301567705 YORZYMLPTLEVFC-FQEVSTJZSA-N 439.560 2.127 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301606390 PFNKFKOGIHLBLN-KRWDZBQOSA-N 442.593 2.237 30 10 IEEE C=CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301621073 QCCSUOWDZRMQLZ-RTWAWAEBSA-N 435.594 2.097 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1302322502 SRPDMXDVORGGLI-PVQQOCSKSA-N 440.573 2.079 30 10 IEEE C#CCN(CC(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)C(=O)OC(C)(C)C 1302854074 NJOZZZTTZPNYGO-LBPRGKRZSA-N 426.457 2.200 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOCC(F)F)CCO1 1303010528 XFKHYLCDJFSKHC-INIZCTEOSA-N 425.411 2.397 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1[C@@H]1CC[C@H](COC)O1 1303955571 NIYGNBSGXLPIOU-TWMKSMIVSA-N 432.945 2.444 30 10 IEEE Cc1occc1CN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1304092079 PSFACJYRCIKBJV-QURGRASLSA-N 447.499 2.328 30 10 IEEE CC1CCN(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CC1 1305106370 HUKZHXQRWDNAAC-MRXNPFEDSA-N 448.369 2.496 30 10 IEEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCSC)CCOC1 1314124229 UUPGDDUNSUFOPR-OAQYLSRUSA-N 444.561 2.218 30 10 IEEE COC[C@H](F)Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315821925 MKSWIFRULVUYSX-MRXNPFEDSA-N 428.493 2.450 30 10 IEEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1316537570 DKBRZBQWSBNGSN-LJQANCHMSA-N 429.546 2.279 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccccc1 1358880176 GLFYFJXBNSKPED-HNNXBMFYSA-N 444.948 2.430 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358960019 UVLCXGITHLWAGG-ZCNNSNEGSA-N 428.558 2.387 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961957 HOMFBKPLPUWJMR-UXHICEINSA-N 433.622 2.293 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1359112951 WNXCVOIEAAQMFJ-GOSISDBHSA-N 431.562 2.496 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359150648 CXRHTBDHMXCPFM-OLZOCXBDSA-N 441.907 2.006 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359203209 KPIMXIMLCXEAGL-KRWDZBQOSA-N 448.568 2.397 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1359231727 DJNZTDKYQHBJLX-HSZRJFAPSA-N 427.549 2.437 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccco2)CCOC1 1360334419 PQRBVQYXPXRBGG-JOCHJYFZSA-N 442.520 2.082 30 10 IEEE C#CCN(C(=O)[C@H](C)c1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 1435067903 BNNCBEFCGJCQFL-IUODEOHRSA-N 431.295 2.044 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCS(=O)(=O)c1cccc(Br)c1 1437438352 BTAGWFWVMDBKGV-UHFFFAOYSA-N 444.347 2.416 30 10 IEEE Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c2c1 1453839610 ATXZNUIRBCGDBF-UHFFFAOYSA-N 426.436 2.169 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)C1(C#N)CCSCC1)C2 1462767041 SSMFWWGCXMMDSN-LRAJWGHMSA-N 437.562 2.328 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 1465527673 ARKLRLMWGIVFHW-CHWSQXEVSA-N 432.930 2.217 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1470042295 XYCSRHCGWIOHFK-UHFFFAOYSA-N 444.289 2.261 30 10 IEEE C#CC[C@H](COC)NC(=O)N(CCN1CCOCC1)Cc1sccc1Br 1470959422 LABICOAEIDSDDB-OAHLLOKOSA-N 444.395 2.393 30 10 IEEE C#CC1(F)CN(C(=O)c2cccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)C1 1471606908 JHNYMMWMAMNODL-UHFFFAOYSA-N 433.417 2.202 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(O)Cc2ccc(F)cc2)o1 1472623059 VJIDLTPWXKDPFT-HNNXBMFYSA-N 440.449 2.167 30 10 IEEE CC(C)(CC#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1478793077 DFCDUPJPXTVVBJ-UHFFFAOYSA-N 449.396 2.466 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1492321023 VNOSEHIMDMSWKV-KTVWJZFRSA-N 449.515 2.288 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CC1 1503377124 LTYIDERWJYWNNA-UHFFFAOYSA-N 449.584 2.331 30 10 IEEE CN(CCC1CCOCC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503586452 DRFBTMFFOUYLTE-QZQOTICOSA-N 428.537 2.010 30 10 IEEE COc1ccncc1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1504456898 IEOQBQCEKRRRHU-OAHLLOKOSA-N 444.499 2.240 30 10 IEEE COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1504587839 DJNWZMBBKJZZHF-FCHUYYIVSA-N 448.527 2.375 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507558177 CFMLINHQBYOLLH-UHFFFAOYSA-N 435.576 2.278 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1507564714 VTCLGKHVABTEKR-OALUTQOASA-N 435.594 2.183 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCOCC2)CC1 1507908948 LRTBHIIKHZNFKZ-KRWDZBQOSA-N 444.605 2.393 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1508122823 ATEAKAVEVJFQMV-IRLDBZIGSA-N 439.608 2.071 30 10 IEEE C=CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1508162584 PCOXFNHKLMVEPB-KDURUIRLSA-N 434.654 2.386 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)n1 1511676028 BXVIASOWMUXCPT-HSZRJFAPSA-N 435.532 2.453 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cc(OC)ccc2OC)CCOC1 1516181784 ICXPSJFEPZDGBQ-FCHUYYIVSA-N 445.495 2.438 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@H]1C 1516792688 CHAZUWGUDFCIPQ-IERDGZPVSA-N 431.562 2.239 30 10 IEEE COCCOCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1519398125 JVLAHPYSOVPMRM-CQSZACIVSA-N 436.310 2.099 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1 1534232358 SVPYARQLDBIOGF-GOSISDBHSA-N 429.498 2.049 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1539058207 CQXGKHOGPPNNQE-UHFFFAOYSA-N 430.530 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccn(CC)c1=O 1539232930 VDCDRFIUBRXMFG-UHFFFAOYSA-N 442.523 2.450 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1539363551 REUBKZILINMWFX-UHFFFAOYSA-N 444.586 2.456 30 10 IEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC 1539599221 ATOVJSKUEMUZIL-GFCCVEGCSA-N 432.319 2.493 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1539659215 OMCPHAUXDYECRK-UHFFFAOYSA-N 427.505 2.358 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/C(=O)c3ccc(C)cc3)CC2)cc1 1540606107 GOSBMSYLWGXASF-VAWYXSNFSA-N 440.521 2.470 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)C1 1540891979 CNAHSACQSWNEEB-BRWVUGGUSA-N 426.608 2.247 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCOC2)C1 1540894935 HSHXGUFXIMKIQR-IAGOWNOFSA-N 431.562 2.478 30 10 IEEE Cc1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1B1OC(C)(C)C(C)(C)O1 1542294020 LSZIVLLNWLACBS-QHCPKHFHSA-N 446.422 2.232 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccccc2C)CCOC1 1547919071 JDJMGABJHYCBSW-WMZHIEFXSA-N 441.532 2.437 30 10 IEEE CCSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552595910 XAEUDGYWFPVMRW-QGZVFWFLSA-N 440.577 2.245 30 10 IEEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1555719878 LCTFVZNONZQXGH-NRFANRHFSA-N 447.561 2.142 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555801149 DQNWDVXYXWIONX-FQEVSTJZSA-N 442.589 2.337 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cc2=O)n1 1556220218 ZYCWQJOXKPRILN-UHFFFAOYSA-N 445.483 2.408 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 1557181839 IAOSNQSZAHPVJH-VKJFTORMSA-N 435.546 2.051 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)c1 1557680645 PIJWYPIURHCQDA-JOCHJYFZSA-N 439.581 2.030 30 10 IEEE C#C[C@H](NC(=O)N(C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C)C1CCOCC1 1565106343 RQADIQBDZSESFD-IRLDBZIGSA-N 431.533 2.233 30 10 IEEE Cn1cc(Br)c(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1583165877 MJXDPZFWZUVECZ-UHFFFAOYSA-N 425.308 2.190 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1584721278 ACBVICGPNSCCDT-UHFFFAOYSA-N 434.500 2.076 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1586777944 OZNLMSXYWXFEDF-BBWFWOEESA-N 436.574 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1587581131 WKGUEJZDDLEFBB-OAHLLOKOSA-N 447.561 2.331 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN(C)C 1587614237 GPWUFMKGABVHPR-MRXNPFEDSA-N 431.610 2.284 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1587754593 HUCOKUMPDCCYQX-UHFFFAOYSA-N 426.521 2.256 30 10 IEEE CCn1cc(C(=O)N[C@@](C)(C#N)COC)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1588193035 JELMQCXOBPIAGW-QFIPXVFZSA-N 445.951 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OCC)c1 1588228120 BEWNVNMSDNFOGN-FQEVSTJZSA-N 440.569 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCCN3CCC[C@@H]3CO)C2)C1 1588313520 QZIIJSNBQVFPRB-CXVUKDAWSA-N 434.581 2.126 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)COC2 1588581561 WKYSTTLYLMGTMV-HSZRJFAPSA-N 426.517 2.095 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)c2nccs2)CC1 1588929560 CUOUDBJTAWQERY-WMZOPIPTSA-N 442.589 2.398 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1589162616 DSWZQVFUWLVQNW-NLSFWIRASA-N 429.565 2.226 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1589216160 KWZYZELUSFETKO-VGOFRKELSA-N 445.564 2.426 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2[C@@H]1C 1595467334 RVHZMGFSGQWEIJ-INIZCTEOSA-N 431.500 2.351 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1609766745 DYFBILMLQNNFHD-SFHVURJKSA-N 433.520 2.201 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1614025030 CGTKFKNCXWABMO-SFHVURJKSA-N 425.512 2.093 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@H]1C 1616484787 AKOOCFLKUIIECB-MOPGFXCFSA-N 440.548 2.469 30 10 IEEE CN(C[C@@H](O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C(=O)OC(C)(C)C 1620056268 AMXWMWWLXJNTHO-LJQANCHMSA-N 440.548 2.298 30 10 IEEE Cn1ncc(Br)c1CNS(=O)(=O)c1cccc(Br)c1C#N 1622445617 DZWIKQSTGNRELU-UHFFFAOYSA-N 434.113 2.295 30 10 IEEE C=CCN(C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1626456250 IKFQDPPUOMFVHV-INIZCTEOSA-N 435.546 2.190 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(=O)(=O)NCC)cc3)n[nH]2)c1C 1631028144 LBVOWRLDMZMAAL-UHFFFAOYSA-N 442.545 2.304 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 1631331268 UCJAKQMTDSQDPY-SFHVURJKSA-N 432.933 2.227 30 10 IEEE N#Cc1cn(CCC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c(=O)nc1O 1633859280 UMUOITAAAXMCGX-KRWDZBQOSA-N 434.456 2.405 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NC(C)(C)Cc3ccc(C#N)cc3)C2)cc1 1635074936 LMOZRWHIFABQHT-UHFFFAOYSA-N 442.541 2.260 30 10 IEEE C#CCN(C(=O)N[C@H]1CCc2nnnn2CC1)[C@@H]1CCOc2ccc(Br)cc21 1636270990 DOLUREHAIWVURG-GOEBONIOSA-N 445.321 2.309 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)s1 1636564203 ZKNBVZNZKSYQLF-SHTZXODSSA-N 436.559 2.051 30 10 IEEE CCOC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCCOC1 1638315960 OPKLUFXQGPHQDT-BLHCOURVSA-N 449.548 2.248 30 10 IEEE Cc1nc(=NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)n(-c2ccc(C#N)cc2)[nH]1 1638366840 GUPXBQOJYXDDBK-HUUCEWRRSA-N 432.431 2.214 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)c1nccn1C 1639720848 QWPJCSUTBGPASB-OXQOHEQNSA-N 437.525 2.059 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ncc(Br)cc3C#N)CC2)cc1 1642039882 CAWFMQCPQUNWAL-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nn(CC(F)(F)F)cc1Cl 1643667707 GHWXHXCWNGGVBJ-UHFFFAOYSA-N 435.815 2.166 30 10 IEEE COCCOc1ccc(CNC(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)cc1 1644197080 MXRARNDUZGLEOS-UHFFFAOYSA-N 426.492 2.161 30 10 IEEE COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1648734688 VPFZHQDTDVKLPJ-VQIMIIECSA-N 431.338 2.382 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1649538764 GWQJZMLZXKYUSW-LIRRHRJNSA-N 438.454 2.440 30 10 IEEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1670709349 GCVIKDMDYJLBMC-AWEZNQCLSA-N 429.336 2.065 30 10 IEEE C#C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)C1CCOCC1 1672932080 POULWLFYEASQBP-VGOFRKELSA-N 447.601 2.343 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1681433081 BWXQPSGSNHBWQE-FUHWJXTLSA-N 442.495 2.288 30 10 IEEE O=C(NCCC1CS(=O)(=O)C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1681664164 ZOGMKHXLNUFUPO-IUCAKERBSA-N 444.344 2.234 30 10 IEEE C#CCN(C(=O)N[C@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCS(=O)(=O)C1 1682343145 HRIBHAUWEONHBQ-ABAIWWIYSA-N 429.311 2.407 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1689990057 LCEYEWDBYGBIKI-FFJFPXHCSA-N 442.541 2.384 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1690011303 JUZNITWPQYKSRY-UHFFFAOYSA-N 428.496 2.414 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCc1cnc2c(Cl)cnn2c1 1690108423 YIKDOELSFMMGNA-QGZVFWFLSA-N 429.912 2.154 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCO[C@@H](C)C2)n1 1690109096 GVYMNRJICJLLAW-IRFCIJBXSA-N 442.564 2.427 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2([S@@](C)=O)CC2)CC1 1690113461 KAVDTGHMWJNVCZ-WENCNXQZSA-N 425.602 2.486 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1690265768 USDDEEHUVPVODC-QFBILLFUSA-N 427.640 2.020 30 10 IEEE C=C(Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1690325614 CIMLBYKGRGBJAZ-JPYJTQIMSA-N 425.533 2.311 30 10 IEEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690485597 XVFZZONSYJYPEG-SFHVURJKSA-N 439.626 2.464 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1690816347 DJUIHECCQUDCQA-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1691211064 FJHQIJPODHLUTF-JFIYKMOQSA-N 432.569 2.230 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1([S@](C)=O)CC1 1692547561 LRQBFCCMAHUFDB-QSDPREHASA-N 440.573 2.071 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CCCO2)cc(OC)c1OC 1697255513 BLNVFLBSDSUFRD-ZHRRBRCNSA-N 443.504 2.269 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(N(C)C)CCSC1 1705600468 ZSHZXTBPRAGJED-DEOSSOPVSA-N 447.612 2.417 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705658585 UGKVHHGDBUGPKM-KRWDZBQOSA-N 429.594 2.034 30 10 IEEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893401 HGHKPFYOWPBGBK-PGRDOPGGSA-N 432.569 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705930165 HIJVYTRTXADELD-UHFFFAOYSA-N 437.591 2.026 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1706865130 WLFPCOJDEQGKAU-LLVKDONJSA-N 444.439 2.100 30 10 IEEE CCOC1CC(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1710582259 XXQGIYVLNGHDTQ-OKYOFGHESA-N 433.553 2.253 30 10 IEEE CN(C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1711012034 GJPAAAXWQYLEEY-HXUWFJFHSA-N 442.589 2.030 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C2CC2)CC1 1722387123 HBIPFCGHQKDBBG-UHFFFAOYSA-N 431.544 2.263 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1722402015 GOWUPTCSQANUJZ-MRXNPFEDSA-N 442.545 2.360 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC(C)(C)C 1722422871 VOZNVZPGZJXHKM-GOSISDBHSA-N 440.523 2.313 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(C(=O)OC)CC2)CC1 1722435087 GCNRXHJRMZUJQM-UHFFFAOYSA-N 436.560 2.487 30 10 IEEE C#CCSCCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1722465017 VRSFDDKYXPJJFX-HXUWFJFHSA-N 448.681 2.173 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1722467217 OGIRYLPDUCIMTO-LAUBAEHRSA-N 431.562 2.268 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1 1722494956 TYDVTNIGBXTALU-PMACEKPBSA-N 431.581 2.484 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1722665198 LHDCDYICRJUIHM-NJDAHSKKSA-N 442.608 2.292 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1722681704 QQVRVHNRQHNFIC-GOSISDBHSA-N 434.562 2.184 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1722739360 CRLXTJUPHGGNCP-AWEZNQCLSA-N 432.516 2.223 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(CN2CCCC2=O)cc1 1722861093 BPDJOORXHHBXOS-KRWDZBQOSA-N 437.548 2.183 30 10 IEEE C[C@H]1N(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1726761347 IYEOAHKMKIHNPW-AMGRQBIBSA-N 430.553 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1740554908 XMEUCZQZWKVUMF-DLBZAZTESA-N 430.553 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC(O)CC1 1740643438 MANBOFODRLXJMR-UHFFFAOYSA-N 430.556 2.270 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1740726095 XWEHQQHPNLGBFP-VBKZILBWSA-N 437.516 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740760877 LIVCKGAEUURMLL-FPOVZHCZSA-N 430.597 2.173 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCC(N)=O)c2)C1 1740976615 LUEPMCCMJIHSLJ-HXUWFJFHSA-N 434.500 2.034 30 10 IEEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1741374463 CQKHXQNNRPDUBE-FJIDUMEYSA-N 446.552 2.155 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1Cc1ccc(C#N)o1 1741920600 HOOWOOYXRBVACF-CABCVRRESA-N 432.550 2.418 30 10 IEEE Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1Br 1742204221 PYOWZTAXPBKUCL-UHFFFAOYSA-N 441.289 2.465 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1748745514 NLNMKGAKCUHCRQ-UHFFFAOYSA-N 435.576 2.324 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 1748784739 SCOGMUMOOSFYPG-SFHVURJKSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748810198 SXWHHGOILSOJIY-WOJBJXKFSA-N 437.525 2.136 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCOC1=O 1748828860 ODGQJNMHRITHRF-UHFFFAOYSA-N 429.484 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC(F)F 1748887925 JEHIKMMZNGGQAS-KRWDZBQOSA-N 443.454 2.350 30 10 IEEE COc1cccc([C@@H](Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)N(C)C)c1 1748917028 WRKDZBGFYSCNMT-JOCHJYFZSA-N 446.559 2.491 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1749033088 CTYIHGZBELOFHQ-YIYXVTKBSA-N 436.516 2.250 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1749078339 IRMGLLBYIUPKPF-IMRHEYAYSA-N 426.517 2.398 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749113140 VROYFDKWGHDOJC-HZPDHXFCSA-N 428.375 2.270 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1749384818 IAPMTGSSDNJZPA-SFTDATJTSA-N 439.560 2.437 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749398617 MFCINPXHVOZIAV-SFHVURJKSA-N 438.532 2.254 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1749465460 TYXGNXOWWFDFAG-MRXNPFEDSA-N 432.956 2.204 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC2(CCCC2)C1 1749655712 QASXHPWHLLFIFB-UHFFFAOYSA-N 441.532 2.414 30 10 IEEE CC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1751298331 RKBRJAUYDDJUGZ-AWEZNQCLSA-N 433.534 2.087 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(C)C)C2)cs1 1751782906 OQLQPQDKSSBEGP-IEBWSBKVSA-N 429.594 2.483 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1752320658 BGRGEGQMGQIXNO-DOMZBBRYSA-N 443.451 2.017 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1760172784 ZNDZWHCRFZJTQF-GOSISDBHSA-N 434.585 2.040 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1760177683 MLPSPKISMXUMEF-OAHLLOKOSA-N 446.577 2.500 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCc2ccccn2)cc1 1760201895 MGWXAUJXDQBHLN-JOCHJYFZSA-N 440.507 2.324 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCn1cc([C@@H]2CCOC2)cn1 1760204341 MLRBZEVINYFEQD-HXUWFJFHSA-N 432.503 2.481 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCCC2)CC1 1760256103 LUNZTPNIKPHBEV-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1760265490 CIIMDYWPXSKMNL-BOCKYXSRSA-N 447.555 2.034 30 10 IEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1760278539 XZMHTGOHWQHJFJ-CYBMUJFWSA-N 434.363 2.386 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCNC(C)=O)CC1 1760383418 PTAJLYWAXBFTFY-UHFFFAOYSA-N 445.593 2.229 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCC[C@H]1C 1760502393 XOMAMZVQHUPALD-VQIMIIECSA-N 434.562 2.412 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 1760527799 JDHKACOMQFDODE-UHFFFAOYSA-N 430.528 2.219 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 1763112172 DCTDYYPVRCTLPI-MRXNPFEDSA-N 449.538 2.471 30 10 IEEE CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1764580163 FEWMMGRLFVRSLY-UHFFFAOYSA-N 435.576 2.341 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)COC)C2)CC1 1765542925 DSWPDBFUVOVWHE-DENIHFKCSA-N 437.592 2.315 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1 1767282573 GWBBVMXFIMLGTI-UHFFFAOYSA-N 438.517 2.304 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)cc1 1770309151 QEELPXXLVURCKI-LJQANCHMSA-N 445.545 2.352 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)C1 1771365588 USFRMHZSAWIVIP-OAHLLOKOSA-N 432.550 2.214 30 10 IEEE N#C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1848650233 BRCMBOPAKOONRV-IINYFYTJSA-N 449.838 2.411 30 10 IEEE CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)c1ccc(C#N)cc1 1852171308 LMJHNFLTQGVLJO-QFIPXVFZSA-N 436.537 2.344 30 10 IEEE C=C(C)n1c(=O)n(CCCC(=O)N2CCC(N3CCN(C)C3=O)CC2)c2ccccc21 1852601883 BWSBPPZIKQJZQX-UHFFFAOYSA-N 425.533 2.432 30 10 IEEE Cn1cnnc1CN1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C12CCCC2 1853944665 MENXXIZXMXCHCC-UHFFFAOYSA-N 426.908 2.332 30 10 IEEE CCN(CC(C)C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnc(C#N)c1 1855820880 LIKPLXNVOWRZEV-UHFFFAOYSA-N 426.498 2.349 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)C1(C)C 1856395355 OUBWEXNJXWXTTQ-GOSISDBHSA-N 433.574 2.031 30 10 IEEE CCCCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(=O)n(CC)c1 1861231614 DQTMRQVDJHHHKJ-IBGZPJMESA-N 434.581 2.489 30 10 IEEE C=CCOc1cn(CCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870387251 WDAHIXLRBMIJKF-UHFFFAOYSA-N 426.561 2.306 30 10 IEEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870561441 MUISJVHLHASSCT-YYDVJCTNSA-N 439.556 2.478 30 10 IEEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC(CN(C)c3ncccc3C#N)CC1)CS2 1890180368 HTQKZQWPDLRURR-GOSISDBHSA-N 438.557 2.230 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)CCN1Cc1ccccc1 1914704337 ITQXBBINSHTWPO-FCHUYYIVSA-N 436.512 2.466 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1 1991996313 MTBRSAAUTMZEIC-CYBMUJFWSA-N 427.498 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060620681 DLUGORKJWIVQKD-KSWRQPAISA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C[C@H](O)C1 2073756843 MEUWWAGJAPPATQ-SDVFQCAASA-N 436.358 2.489 30 10 IEEE N#C[C@H](c1cccs1)N1CCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)CC1 2195975587 HJSQYRZKNMSMLP-VAMGGRTRSA-N 426.542 2.312 30 10 IEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620074 VOOZGXRNPKPBNS-OAQYLSRUSA-N 436.362 2.474 30 10 IEEE C[C@@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255655715 PZRQMEZFPNXLPL-YPMHNXCESA-N 430.232 2.108 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255696923 AZZWBQIZYQXGNC-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255712370 MNTJAUPJDKSBJL-QRTARXTBSA-N 431.342 2.299 30 10 IEEE C=C(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1)B1OC(C)(C)C(C)(C)O1 2256623698 RVNYSZNGBPYWBI-HNNXBMFYSA-N 435.334 2.027 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256737307 YDYRCHJDRBOORJ-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE Cc1c(C(=O)N(CCC(=O)O)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2256916550 HQCJMFPLTQRRLQ-UHFFFAOYSA-N 427.310 2.145 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2258957088 KGWOWVKVKHOZET-BBWFWOEESA-N 434.342 2.009 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267106567 BGUIBGQNVWPUMI-MRXNPFEDSA-N 446.353 2.040 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267266860 FXEZSTURKGMBQW-CABCVRRESA-N 446.357 2.294 30 10 IEEE CCn1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267494401 DXBVNRIPWQKZTL-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267586746 OAUGMJWJBNPMAN-TZMCWYRMSA-N 441.259 2.052 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268641312 MYZAKFPFKVSUBP-KBXCAEBGSA-N 446.353 2.102 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268644316 KZOJZBIKYZFLHE-KSSFIOAISA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2271459390 NNNPBEGUINVGID-UHFFFAOYSA-N 449.401 2.364 30 10 IEEE CC(Cl)=CCn1c(NN=C2C(=O)Nc3ccc(Cl)cc32)nc2c1c(O)nc(=O)n2C 2297450833 XYYKFAKCJFMULM-UHFFFAOYSA-N 448.270 2.400 30 10 IEEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2302960976 SLUGSOXTEPJRNQ-WOJBJXKFSA-N 449.617 2.180 30 10 IEEE COc1[nH]c(=NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501315 GWHQXWXDZVWAPO-GJZGRUSLSA-N 433.358 2.384 30 10 IEEE N#Cc1cccc(C(=O)OCCN2CCN(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)c1 2323756274 DTNODGWBJMUBBL-UHFFFAOYSA-N 434.452 2.481 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccccc2C(=O)O)CC1=O 2327904336 OYINPBKFDDQXKZ-AWEZNQCLSA-N 431.518 2.057 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1nc(Br)nn1CCOC 2353694476 ZYTCRMKHIVQJTD-OLZOCXBDSA-N 430.347 2.254 30 10 IEEE C=CCC1(NCc2nc(Br)nn2CCOC)CN(C(=O)OC(C)(C)C)C1 2353746300 FEIPWIIJTDSIJL-UHFFFAOYSA-N 430.347 2.342 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 11242502 HDYZYIDDTUBCRM-IERDGZPVSA-N 435.546 2.073 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)cc3)n2N)c1C 59829856 PGTZHESCFKISNQ-SSDVNMTOSA-N 440.533 2.421 30 10 IEEE N=C(NN=Cc1cccc([N+](=O)[O-])c1)S[C@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O 252635654 WZBYGFUKZSVZSY-HNNXBMFYSA-N 441.425 2.217 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 431241606 DSEPGHJCKNDIPR-QRQCRPRQSA-N 444.509 2.324 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 460808732 JUUOKDUAALCLNH-CRAIPNDOSA-N 435.550 2.090 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)[C@@H](C)C1 461846571 BSKHKJUZCGERJE-LAUBAEHRSA-N 438.532 2.355 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CN4CCC(C(N)=O)CC4)c3)cc2C1=O 485989149 JQSUYUNPAGSAQW-UHFFFAOYSA-N 446.507 2.418 30 10 IEEE Cc1ccc(OCC(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 503041159 YHULMWZLSVGWHV-QHCPKHFHSA-N 429.517 2.306 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 508477635 MHALHLYQNBYGBH-LJQANCHMSA-N 429.496 2.224 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 508855853 ITHQRBKRGOPGJL-FQEVSTJZSA-N 440.596 2.185 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3OCCN3CCOCC3)cc2C1=O 520107799 FWJRXSIBUZLTHQ-UHFFFAOYSA-N 449.507 2.110 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccccc2)c1=O 523734575 DYGMXKXOOGHSEH-UHFFFAOYSA-N 433.508 2.187 30 10 IEEE C[C@@H]1N(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC12CCOCC2 544464218 NFPKKYCMCRQYEO-KRWDZBQOSA-N 431.558 2.377 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc([C@H]4COCCO4)n3Cc3cccs3)CC2)n1 559169049 OGJXGBIBCZEVHF-GOSISDBHSA-N 437.529 2.069 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)NC3CCC(Oc4nccnc4C#N)CC3)CC2=O)cc1 585356183 YHXFHUDOFRBVRA-LYGPFTKASA-N 435.484 2.216 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N(CCN2CCOCC2)Cc2ccc(C#N)cc2)c1 586137927 HWNFEZOQWYHUBJ-UHFFFAOYSA-N 445.541 2.099 30 10 IEEE C=CCOc1cc(N[C@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)ccc1-n1cnnn1 586268812 IZDMXUWFAUEZEQ-CQSZACIVSA-N 434.456 2.266 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](N3CC(S(=O)(=O)N4CCc5ccccc54)C3)C2=O)cc1 616176535 VFRGBGYMZOTQTP-JOCHJYFZSA-N 436.537 2.130 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670215407 JSZJKOWGGMJTFO-UHFFFAOYSA-N 437.552 2.149 30 10 IEEE C#CC[C@@H](COC)NS(=O)(=O)c1c(Br)cc(N)cc1Br 716799792 OHKBGJXQMJHXCP-VIFPVBQESA-N 426.130 2.110 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccccc2-n2cccn2)C1=O 726109448 AWPNLRJMOTWAPX-UOODYVSWSA-N 448.552 2.446 30 10 IEEE C#CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCS(=O)(=O)C1 729332377 OMZTXHPWSKGYPG-INIZCTEOSA-N 434.539 2.019 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC 729669655 SIRDVLWMCJKJNH-OAHLLOKOSA-N 440.594 2.429 30 10 IEEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1C(F)(F)F 741340580 FNQUWBWSHUTVFO-DUUUWJQVSA-N 425.363 2.492 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC2(C)CC2)C1=O 751928565 MUCATPYBXIBNGZ-QGZVFWFLSA-N 432.546 2.215 30 10 IEEE C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 754903407 GAAQKUABBYXFRX-VXGBXAGGSA-N 435.889 2.282 30 10 IEEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC2)cc1 756171535 ANFZPFUSVUVIBM-UHFFFAOYSA-N 441.919 2.097 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 756661148 YMCVBQPAQZPOQC-ZDUSSCGKSA-N 431.352 2.291 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nc(C)c(C(=O)OCC)s2)cc1 757006485 JEMJTEKHEYGVHK-CYBMUJFWSA-N 435.527 2.031 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C(=O)O)[C@H](C)O 757436762 JHHSUFQOSSEGCJ-SZFUDVHCSA-N 438.480 2.420 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OC)c(C)c2)c1=O 758069116 RRUVLKATUHFGCA-UHFFFAOYSA-N 444.512 2.255 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Cl)c1 758646387 WVNGIIYLZBPKSA-OCCSQVGLSA-N 443.909 2.164 30 10 IEEE CCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 761684138 VHWBLNKURUZDKN-AEZKDZDTSA-N 425.533 2.380 30 10 IEEE COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)cc1C#N 770008290 PFRKYVHPQFWERZ-NRFANRHFSA-N 444.850 2.443 30 10 IEEE COC1(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C#N)CCC1 779755131 SLSCZNZPXRSTEU-GOSISDBHSA-N 443.573 2.127 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1 780176180 NBYBYEDELOPXOC-HSZRJFAPSA-N 429.517 2.136 30 10 IEEE C=C(COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C(=O)OCC 785405500 UPNINDBPYVCIHI-UHFFFAOYSA-N 435.454 2.478 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 789253015 TWNAQXDBERXHPQ-QZTJIDSGSA-N 433.553 2.462 30 10 IEEE CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CON=C(N)c2ccco2)c1 789625344 YCNZEAZUMCXCCE-UHFFFAOYSA-N 428.470 2.380 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(I)c2O)n1 790105607 RRKKAHBTNFNVFY-UHFFFAOYSA-N 439.253 2.115 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1)C(=O)OC(C)(C)C 804156688 UKEDGRAECSOWOC-INIZCTEOSA-N 432.496 2.419 30 10 IEEE C#CCN1CCC[C@@H]1COC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 810573336 PYLNTUKWFCDOBI-RPEUOYKBSA-N 444.531 2.107 30 10 IEEE C#CCN(c1nnc([C@H]2Cc3ccccc3O2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812202291 AMIVQFGRBQSLMR-UYAOXDASSA-N 444.557 2.008 30 10 IEEE CCOc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc(Cl)c1OC 837800034 OPCDBBWAYMLSDQ-OAHLLOKOSA-N 445.928 2.176 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2ccnc(C)n2)C1=O 917695592 AEEGUHGUHLNWTH-KRWDZBQOSA-N 426.502 2.011 30 10 IEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3cccs3)n2N)cc(OC)c1 1083992468 JHENGLBETGVMLV-UHFFFAOYSA-N 433.519 2.247 30 10 IEEE CN(CCc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)OC(C)(C)C 1134428969 JJXDEEXNAZMVMA-HTAPYJJXSA-N 447.557 2.106 30 10 IEEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 1140183209 LXYJNGVJKXBHBZ-SDMNGIDPSA-N 434.464 2.419 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc(C2CC2)s1 1161911516 VYGSQHFRJGDDEK-UHFFFAOYSA-N 433.559 2.331 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)O2)C1 1165615960 UMSWSIJFPOMJJE-JTSKRJEESA-N 440.500 2.494 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)c2nccn2C)cc1 1180188500 BPCGXHGQFUJTEW-LJQANCHMSA-N 444.463 2.129 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCc2n[nH]cc2Br)cc1Br 1186589844 GXHHYMCRVXMOCD-UHFFFAOYSA-N 438.076 2.424 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nncn3CC2)cc1 1264723918 BHXMZPFIECNMNI-MEZKORTJSA-N 444.561 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1286289738 MYPCNNYIXQGHON-AWEZNQCLSA-N 430.509 2.331 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1286426034 HIXMSPGLTRYBPK-LAUBAEHRSA-N 445.445 2.142 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1286450892 MSFZPVMZHXRLFB-UHFFFAOYSA-N 431.924 2.252 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1286561420 FAHGGBHPEJFKSG-BZSNNMDCSA-N 439.626 2.322 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1286601304 UHHHBJJNBMEJOM-KBPBESRZSA-N 439.504 2.260 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286698151 NSGJHMORMVKPHU-MRXNPFEDSA-N 425.541 2.473 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1286727532 SOBWNOVVBPYACU-LJQANCHMSA-N 445.545 2.336 30 10 IEEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1286965869 YSPFAXGVCJNSID-QFIPXVFZSA-N 434.504 2.250 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1287128579 GGCWNBJSOQCZIJ-PMACEKPBSA-N 449.559 2.226 30 10 IEEE N#CCCn1cc(C(=O)NC[C@@H]2CCN2C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1289227796 WMKGBMLNPKMJMM-IBGZPJMESA-N 438.488 2.355 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1293363746 XUDAKWPLEKMNGX-HXUWFJFHSA-N 448.608 2.086 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)nn1C 1300316955 HQNSWAZTFOQMSM-OAQYLSRUSA-N 446.603 2.191 30 10 IEEE C#CCCCn1c(N2CCC(N3CCCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300425026 QUNMZIIQAXXDKA-HSZRJFAPSA-N 429.565 2.325 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1300458700 KYBLUZFVAPCQCR-RDJZCZTQSA-N 440.529 2.103 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[C@@](C)(O)c2ccccc2)CC1 1300703081 ABAKIMPYKIUCBF-RUZDIDTESA-N 430.556 2.317 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300754045 GLMIBOQOUGDRDU-INIZCTEOSA-N 433.965 2.306 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1301297327 PGLCROALIYENPI-INIZCTEOSA-N 443.932 2.074 30 10 IEEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC)C1CC1 1301322991 NJYUDILWXLEXHP-LJAQVGFWSA-N 436.607 2.162 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCc1nccs1 1301492286 CVLJPANONIGADV-UHFFFAOYSA-N 440.529 2.154 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(C(C)C)CC1 1301496843 IKJNWASDSFHSEM-UHFFFAOYSA-N 448.575 2.354 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C)n1 1301806348 DJDIVGTVBBLKJT-UHFFFAOYSA-N 437.504 2.318 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301935639 VGMDZWDYGYOPOH-HRAATJIYSA-N 438.532 2.259 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)C1 1302979398 PUVOGELKTFKJCT-UZLBHIALSA-N 435.500 2.394 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)C1 1302981904 ALFUXPSEHWBBJT-QHCPKHFHSA-N 433.491 2.438 30 10 IEEE N#Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)o1 1302991409 IFVMSCXHIQWUQP-UHFFFAOYSA-N 447.904 2.258 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 1303008810 AWNOHGOEKQKQMF-UONOGXRCSA-N 438.410 2.351 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1303498772 PGOGQQRCPXENJG-SJLPKXTDSA-N 449.573 2.221 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1303627198 FZXKHGDZVNHVMZ-AWEZNQCLSA-N 428.497 2.188 30 10 IEEE CCCN1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)CC1 1307029037 HCENTPXVAJTXMZ-IBGZPJMESA-N 431.585 2.047 30 10 IEEE C=CC[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1312018804 DYODIOKKHOPMBH-FUHWJXTLSA-N 429.521 2.218 30 10 IEEE CCNC(=O)C1(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1313979393 DHGFTPJXHWRYCC-VGOFRKELSA-N 432.569 2.363 30 10 IEEE CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1314638143 NCRDVGSDRZPMTH-VQTJNVASSA-N 449.559 2.038 30 10 IEEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)C1 1314925868 CTMNRHXVMFDSIK-QFIPXVFZSA-N 438.557 2.493 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316335818 HOMVNXQCAPXMQS-OAQYLSRUSA-N 440.504 2.428 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1 1358967691 QEZFCZLZBBJCNX-IBGZPJMESA-N 439.541 2.038 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1358990301 JGWLEBDYEWBCTA-QHCPKHFHSA-N 436.585 2.011 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnccc2OC)CC1 1359033055 NNGTYICEVKWSSN-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1359043079 GMCJDXZHWLYCAA-PMACEKPBSA-N 449.603 2.426 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1359209141 BZDAQUVXDQZVPL-HNNXBMFYSA-N 445.593 2.180 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@@H]1CCOC1 1359232938 LECFIKNHZDBHHD-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(C)CN(C)C1=O 1359255338 VCJBBNCHMWJORH-FDDCHVKYSA-N 425.533 2.462 30 10 IEEE C[C@H]1CCc2sc(NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c(C#N)c2[C@@H]1C 1436545313 CJJWBKAJTVERBB-WDEREUQCSA-N 425.514 2.447 30 10 IEEE C#CCN1CCC(NS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1464592470 ULDFUYJNQQOBNC-OAQYLSRUSA-N 433.574 2.195 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)OC 1475688356 JPPSTXZWHJSDDH-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOC1=O 1495773692 IYFCNZIPSVCEHD-KRWDZBQOSA-N 438.536 2.227 30 10 IEEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1504670991 QLNXTMXNIPBCOC-SFHVURJKSA-N 446.577 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1 1507533925 TXNPDBZHURTODX-KRWDZBQOSA-N 432.532 2.362 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1507551500 FJLNGLAFCPXJAV-UHFFFAOYSA-N 440.508 2.264 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1507723299 CODKTAIUHZQEJK-QFIPXVFZSA-N 428.625 2.438 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2nc(C(F)(F)F)cs2)CC1 1507733357 VUTHOTZJAZAVIX-CYBMUJFWSA-N 426.468 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@]2(C)OCCc3sccc32)CC1 1507742611 MJBOLYHRAOKZKS-JOCHJYFZSA-N 427.574 2.356 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1507810665 XPGKHRNBAJEZTO-SIKLNZKXSA-N 431.581 2.287 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(C)CCNS(C)(=O)=O 1507860691 SRSXKBDTLSSPDF-UHFFFAOYSA-N 448.774 2.446 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507863030 AKEUXWZETYJXDE-CYBMUJFWSA-N 438.319 2.473 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Br)cn2)CC1 1507876461 HTIYWOVMTZTUDH-UHFFFAOYSA-N 434.342 2.330 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507926779 JIKOAGPBCLDULO-QFIPXVFZSA-N 443.573 2.421 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1507992293 AVTNXCZACNXXGK-CABCVRRESA-N 447.527 2.219 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1508042223 YALCJIFFMGQCEJ-INIZCTEOSA-N 446.556 2.166 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(C)(=O)=O)C1 1508117090 LXRPIJIHCQCKMR-QGZVFWFLSA-N 442.545 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOC2=O)C1 1508125791 IWYVUEHHRLFUEZ-QGZVFWFLSA-N 432.550 2.257 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCOC1 1508144682 WQBXOGOKEIQRHE-SFHVURJKSA-N 434.562 2.300 30 10 IEEE Cc1n[nH]cc1CCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1510444008 ULEDKRNMAOTQIZ-SFTDATJTSA-N 431.516 2.425 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511937340 PHLZAESGGKVZEA-CZIZESTLSA-N 425.493 2.313 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 1517325913 GHFDTDVNQQILBB-UHFFFAOYSA-N 446.559 2.482 30 10 IEEE COc1ccc(CCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)cc1 1518198448 QADFVLPXLIAXSQ-INIZCTEOSA-N 434.500 2.252 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1519222084 DCMAAAKHANRUJJ-UHFFFAOYSA-N 447.543 2.135 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)cc1 1530262627 FSWXWKIJCCBVKR-SFTDATJTSA-N 430.574 2.092 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539133340 FCXKCCKMMPLGTK-UGKGYDQZSA-N 426.609 2.413 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1539133964 NTRRAJNJQWQZRI-UHFFFAOYSA-N 426.609 2.415 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539417930 ZRFOMUKNZOOQFV-OAQYLSRUSA-N 444.539 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)NCCC)CC1 1539435772 ACUHNUQPJFVIAP-UHFFFAOYSA-N 444.967 2.279 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1539916491 LERSSEJNBAZWIZ-OAHLLOKOSA-N 431.553 2.170 30 10 IEEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1539974086 JPEWRRLXLXUJBZ-KRWDZBQOSA-N 426.521 2.436 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 1540551000 JTHHHGAJQRDNFA-UHFFFAOYSA-N 446.349 2.117 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540866068 BNSRSTPXWLHGJG-CJNGLKHVSA-N 439.438 2.412 30 10 IEEE C#CCN(C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1542210964 GEMNKKRQZBQWES-YVEFUNNKSA-N 446.472 2.085 30 10 IEEE CN1CCN(c2cc(CNC(=O)Cc3ccc(Br)cc3C#N)ccn2)CC1 1542527820 WCKFLWCLULLRFA-UHFFFAOYSA-N 428.334 2.326 30 10 IEEE Cc1noc(CCCn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1543429731 VTBCSBWDEVKILW-OAQYLSRUSA-N 429.525 2.383 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)ccc1OC 1543595859 QEWNYLZFLQDXET-ZWKOTPCHSA-N 429.498 2.234 30 10 IEEE Cc1c(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cnn1CCC#N 1543987780 HBIAIHFMPQDNAA-MRXNPFEDSA-N 443.573 2.464 30 10 IEEE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)N1CCCC1 1545992211 GIDOVWLHSADJIQ-RTBURBONSA-N 434.610 2.185 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)N(C)C 1546500580 GLUYFZACAQTRFL-IBGZPJMESA-N 430.578 2.063 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)CC1 1547728660 CNPTWVZCLBGINW-FQEVSTJZSA-N 436.608 2.277 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CCCC1 1554722649 HTTJYEHTAXRSDY-KRWDZBQOSA-N 438.532 2.355 30 10 IEEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1556441905 LUWPRUCFIZHAJI-GAEBUCLRSA-N 437.566 2.122 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(NC(=O)NC)c2)s1 1556550622 ZQZWWJAWDGBSPN-UHFFFAOYSA-N 426.495 2.284 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(=O)N(CCC(F)(F)F)C3)C2)C1 1556653507 ICMFQXHVNKMEQW-SHYRYGCCSA-N 444.454 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1nc(C(N)=O)cs1 1557540569 YBMTUQLIMOGGFF-KRWDZBQOSA-N 441.513 2.264 30 10 IEEE N#CCCN1CCN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)CC1 1557980186 ABEWTTNFAPTLKD-UHFFFAOYSA-N 433.541 2.479 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(c2noc(C)n2)C3)s1 1558069526 FLMPZWLHORDNGB-GJZGRUSLSA-N 436.559 2.384 30 10 IEEE C#CC[C@]1(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)CCCN1C(=O)OC(C)(C)C 1583621361 NLDYXNGXJXAPPC-VGOFRKELSA-N 436.549 2.311 30 10 IEEE COc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 1586904341 QLUPRNWMGYVIHU-QLVMHMETSA-N 436.578 2.126 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1587568132 NLHVYZSCOFYHPR-YYDVJCTNSA-N 442.564 2.177 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1588134247 VCCZFYIQLKQVLM-LJQANCHMSA-N 437.519 2.269 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CN(CC(C)C)CCO1 1588205487 NHBYWODEYPXWCJ-OAQYLSRUSA-N 449.555 2.494 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cc(C)cn1 1588574221 AOVSRUCOKUYQKA-UHFFFAOYSA-N 435.532 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCSCC#C)CC1 1588962163 XGFNVARHZLXOQP-UHFFFAOYSA-N 435.597 2.396 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1589053249 KTRFMWMSHDHXBN-OAHLLOKOSA-N 431.591 2.200 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1589303990 CAKOKOAEKDSYBF-HUUCEWRRSA-N 444.374 2.406 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589560151 XCHVWJMOCJVBQZ-YLJYHZDGSA-N 437.610 2.072 30 10 IEEE C=CCC(C)(C)Cn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1594454939 JRKTYCNKARHWHY-UHFFFAOYSA-N 426.569 2.142 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nccs2)C1 1594824684 OUWHMZCGCJIGCM-INIZCTEOSA-N 432.550 2.028 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cs2)CC1 1594825413 ZNDVRUNMVRHEOS-UHFFFAOYSA-N 445.593 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)SC)C1 1595699626 FZJVITZNDYXIPL-QAPCUYQASA-N 426.550 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 1596595513 BTYWFASJLMUPHD-YADARESESA-N 440.544 2.480 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(N(C)C)CCSC1 1602851399 XUBFGISMNOCVRM-QFIPXVFZSA-N 440.621 2.432 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCc2cccnc21 1611659256 OTDJNVNHEWRTBU-YQQAZPJKSA-N 431.566 2.142 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(C)(=O)=O 1611756931 BEKGFKVDLQIGEF-AUUYWEPGSA-N 439.488 2.434 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1611757004 CIWHTGVZEROWAX-LIRRHRJNSA-N 429.435 2.076 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CCOCCS(C)(=O)=O)CC1 1611773207 DKZXJJBXKCNFCJ-UHFFFAOYSA-N 437.591 2.122 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1=O 1619938582 BEONRNXDLNCSTC-IEBWSBKVSA-N 426.496 2.250 30 10 IEEE C[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1ccc(-c2cccc(C#N)c2)cc1 1624983779 YNXYONJTGOWSAI-AWEZNQCLSA-N 436.493 2.271 30 10 IEEE Cc1cc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)no1 1628684986 UDQZXZSUAOBWDS-OTQYULQBSA-N 443.548 2.414 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 1640868098 LCUHBQAHMZHJCF-QRVBRYPASA-N 432.546 2.275 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1 1641804088 ITUOJIIRPSFCLO-UHFFFAOYSA-N 443.525 2.174 30 10 IEEE C[C@H]1CN(CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 1645219653 WUYXFPIWLNYDQI-CVEARBPZSA-N 426.477 2.211 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CCO2)cc1 1645728011 VGZIOQIWEAIECT-NRFANRHFSA-N 425.510 2.460 30 10 IEEE CCOC(=O)C1=C(CN2CCc3c(sc(N)c3C#N)C2)NC(=O)N[C@@H]1c1ccco1 1648528989 ZBLUYHPFVGPHLZ-QGZVFWFLSA-N 427.486 2.024 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cccc(Br)c3[nH]2)c1 1651603660 WQSAJYFSODOBRQ-UHFFFAOYSA-N 433.287 2.489 30 10 IEEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)[C@@H]1CCCc2ccccc21 1652652931 DBQOULAYWRAZRA-OXJNMPFZSA-N 428.558 2.243 30 10 IEEE CC[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](CC)O1 1654782269 HOAXNBQNYKTXIT-IAGOWNOFSA-N 427.505 2.344 30 10 IEEE C#C[C@H](NC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1)c1ccc(Br)cc1 1683507978 KWLNGXRWWYMEEL-GJZGRUSLSA-N 432.278 2.158 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 1683675632 DGYYMSAUAINOFZ-MRXNPFEDSA-N 441.538 2.082 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 1685196790 BOQUGQCPENGPSC-MRXNPFEDSA-N 442.507 2.050 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnccc1OC 1689847667 FHTKQXJHXVKFIJ-OAHLLOKOSA-N 429.484 2.102 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1689993746 KMZSYBCUWFXUTB-QGZVFWFLSA-N 436.603 2.372 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690150260 AUCZLHCWXLLMGW-FXAWDEMLSA-N 441.601 2.447 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1690178784 GLAXDQHEYKSYAY-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)CC1 1690236703 PWFZOVCWPBPVPX-SJLPKXTDSA-N 448.568 2.066 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690627583 GCALKTIQORPVSS-QFIPXVFZSA-N 444.967 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC=C(COC)CC1 1690661603 APILLEWYSGNYPM-UHFFFAOYSA-N 427.505 2.047 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)CC1 1690676091 PPRWXSOIILIIHG-UHFFFAOYSA-N 445.589 2.026 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccccc3[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1690676792 DNSNISWBUXAHFJ-UZUQRXQVSA-N 425.533 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690715828 VWRBKTRQEOHHJQ-OXJNMPFZSA-N 426.583 2.167 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1690992910 BMESLUCFMWMJKZ-CHWSQXEVSA-N 449.562 2.249 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1692346758 NLGQKGITRBQRGU-JKSUJKDBSA-N 445.536 2.371 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1692658141 KIKUWRGOKUDQLB-ZDUSSCGKSA-N 441.508 2.258 30 10 IEEE CC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1694022010 YOLDFXFIEYSQGK-AOMKIAJQSA-N 430.503 2.485 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](OC)C(F)(F)F 1694789664 XBBRLUSGQHRSMH-JKSUJKDBSA-N 436.438 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1705490546 MLIXJZBDBLNIOI-UPCLLVRISA-N 447.543 2.172 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1705566843 RCOYNYJKXIPFBI-GOSISDBHSA-N 444.557 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)COC)CC1 1705700043 OBVTVDDOTNMFOQ-QFUCXCTJSA-N 447.580 2.232 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705736548 WGPVTIGHMZMUTN-NQIIRXRSSA-N 430.597 2.127 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc32)CC1 1705762915 LGGMSVBWKVFLOV-ZWKOTPCHSA-N 444.605 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705900127 QWHFYBAWGVRRCO-QGZVFWFLSA-N 439.564 2.050 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705905650 BZBCVCPMSMBFFW-UHFFFAOYSA-N 427.524 2.246 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCSC2)C1 1705937069 HJVAJSXKNUXCEO-HXUWFJFHSA-N 433.603 2.198 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1706076151 YLOQZHHPOCQZPH-OTBWCIGPSA-N 438.598 2.204 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccco1)N(C)C 1722372802 AVRXDLBFYXECRS-WMZHIEFXSA-N 425.533 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)c(OC)c1 1722395762 BISPYWQKHUXCJQ-FQEVSTJZSA-N 440.569 2.203 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2=CCCOC2)n1 1722429951 VOOCWYDJUVYQQX-HXUWFJFHSA-N 440.548 2.002 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CC)c2)CC1 1722445445 QGGNVKACPZEGDJ-UHFFFAOYSA-N 442.527 2.047 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCC(OC)CC2)C1 1722712632 WVLBGOFILYITSC-HXUWFJFHSA-N 443.596 2.349 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722740416 VAAFVMOGEFNGPB-DLBZAZTESA-N 443.573 2.500 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722871033 TZIPJGOBXHKVTR-ZWKOTPCHSA-N 435.532 2.049 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCOCCS(C)(=O)=O)C1 1724011338 PORDYIKCMHOITR-QFIPXVFZSA-N 445.589 2.255 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCN2CCOCC2)cs1 1725314158 CSKVUMYRMIJSKK-UHFFFAOYSA-N 429.594 2.486 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCOC[C@@H]2C)cs1 1725317878 LCMJTLDITJGDGF-INIZCTEOSA-N 429.594 2.485 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1728097564 UJHVPGRJQPKVEI-NTKDMRAZSA-N 435.576 2.463 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 1729739276 HSOKFUPLAZJURI-UHFFFAOYSA-N 442.467 2.145 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740566455 UPWLUKDFSKYHGA-JOCHJYFZSA-N 441.557 2.011 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1740615950 OQHSQEOYNWXZKC-OAHLLOKOSA-N 431.562 2.117 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@](C)(O)C(C)C)CC1 1740695458 RQYLAFCKRZQTCU-XMMPIXPASA-N 433.560 2.293 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1741698871 KCSVXMMOJUJGCM-IBGZPJMESA-N 437.548 2.082 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@@](C)=O)CCC2)CCOC1 1741724670 SOGQBUQXROAPAB-SXSPSUSHSA-N 439.557 2.062 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1747806511 DLCIHWRQESTASN-UHFFFAOYSA-N 426.502 2.266 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1748818906 HNDCCJPMUJPQAW-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748821299 OKRAFQGFNDAHEB-HXUWFJFHSA-N 444.605 2.347 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1748905454 DUKCTTQZCPUGKB-NSHDSACASA-N 446.396 2.220 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1COc2ccccc2O1 1748969726 YARAXVXDBBZSQJ-LJQANCHMSA-N 436.516 2.066 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](OC)C1 1749037273 CSCCYYPSKICTNT-IBGZPJMESA-N 441.605 2.434 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1749131675 UHWHFZAGJGSVGO-LNLFQRSKSA-N 431.562 2.193 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749175270 BGORILDUUJVUQF-ZBFHGGJFSA-N 427.505 2.262 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CN(C)C)c2)C1 1749693689 LYJZRFDNEZGIFP-NRFANRHFSA-N 438.576 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749726811 FUGSXLQNJVQVHM-HNNXBMFYSA-N 430.452 2.313 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C 1749827618 FSZLYGUHXRRNPT-UHFFFAOYSA-N 437.548 2.294 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccco1 1750078342 FLKGNVCRFWVYJR-VLIAUNLRSA-N 428.518 2.366 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)(F)F)CCO1 1750389176 WXOMGERITLYTLR-OAHLLOKOSA-N 435.410 2.172 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCCS(C)(=O)=O 1750645847 DVYWOCYUTUUOLJ-UHFFFAOYSA-N 445.593 2.210 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1751095710 ZFGSEJLMQLNODM-PMPSAXMXSA-N 430.475 2.174 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)c1 1751395251 CBJJGPGHNJPFSN-GOSISDBHSA-N 440.548 2.494 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccc(F)cc2)cs1 1751783732 ZVUBVDUWLSCMFA-GHTZIAJQSA-N 442.520 2.409 30 10 IEEE Cc1nc(C[C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)C2)no1 1751783801 DIJRNETUJFIKHR-KRWDZBQOSA-N 434.504 2.056 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760185775 DGDFZLHTTRKLAC-LJQANCHMSA-N 448.564 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1760221691 GXCULDIUNLJISE-UHFFFAOYSA-N 446.599 2.080 30 10 IEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCSC2(CCOCC2)C1 1760275446 XLSIZTBWKPNXNG-QGZVFWFLSA-N 440.635 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1760327862 NCWZIZZQGDXFLA-MSOLQXFVSA-N 439.626 2.322 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760433579 INTBJUKZYPXKKB-OAQYLSRUSA-N 445.545 2.346 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1760531333 LTNLLEAAUQHVLH-HXUWFJFHSA-N 425.533 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1760556945 UWFOGBCKDWNQLE-NRFANRHFSA-N 442.520 2.393 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)(C)C 1760689911 HIPCQILTVUTDHC-HNNXBMFYSA-N 446.577 2.249 30 10 IEEE CCOc1ccc(N2C[C@H](CNC(=O)COc3c(C#N)cccc3OC)OC2=O)cc1 1851368151 HUKKXRCQJXMESV-SFHVURJKSA-N 425.441 2.486 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1F 1851941681 ACKLISSPKFJETO-NSHDSACASA-N 435.399 2.358 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)C3CCOCC3)c3ccccc32)cc1 1854479993 QTZSWOKQLFQSQF-UHFFFAOYSA-N 425.466 2.053 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2Cl)cc1 1858964010 XJECRACSHKVBAN-UHFFFAOYSA-N 436.873 2.083 30 10 IEEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(CCCN2CCOCC2)C1=O 1863430783 MLRWDUWTQGZGET-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1866581171 ZUMLUIZYTBZOPR-JXFKEZNVSA-N 443.500 2.188 30 10 IEEE COc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccccc2C#N)cc1N1CCN(C)CC1 1867224021 DWDGMXJTRBBLDY-UHFFFAOYSA-N 435.528 2.466 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1870105082 YRNXQRYPSQREIU-UHFFFAOYSA-N 438.400 2.384 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(OC)cc3)CC2=O)cc1 1870159041 BZZLNQIBMYWLCF-CQSZACIVSA-N 432.440 2.148 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N(CCC)CCCC)ncnc21 1873562200 RHPGQNDNDNLMDA-UHFFFAOYSA-N 428.581 2.384 30 10 IEEE COc1cc(N2C(=O)N[C@@H](CCC(=O)Nc3ccccc3C#N)C2=O)cc(OC)c1OC 1873869083 DTOGICVBJRHGLW-INIZCTEOSA-N 438.440 2.428 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)cc1OC 1874218958 NQSXWBZBUOAFQV-FSJBWODESA-N 441.513 2.246 30 10 IEEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874499140 KLDDKVNUEJMREV-DNTJNYDQSA-N 427.914 2.293 30 10 IEEE CCOc1c(Br)cc(/C=N/n2c(C)nnc2SCC(N)=O)cc1OC 1874531934 JRBRGIMGFPNRCX-CNHKJKLMSA-N 428.312 2.216 30 10 IEEE C=CC1(N[C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1 1904401355 IZNXHFRPMLALNW-SPLOXXLWSA-N 425.526 2.462 30 10 IEEE CO[C@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 1969643001 VPFPMBNKSJPACT-HSALFYBXSA-N 428.533 2.247 30 10 IEEE C#CC[C@H]1CN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CCO1 2019036697 CPGJGSVABVVBLN-OALUTQOASA-N 430.501 2.264 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@]1(COC)CCCN(C(=O)OC(C)(C)C)C1 2054375574 WIFCPZGGGIIWDY-INIZCTEOSA-N 441.388 2.478 30 10 IEEE O=C(COC(=O)[C@@H]1CCCN1C=CC(=O)C(F)(F)F)Nc1ccc(F)c([N+](=O)[O-])c1 2055812563 ZVBXXSJDXPYXDU-LBPRGKRZSA-N 433.314 2.325 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065463377 JCHZIEVOMQSLAA-KRWDZBQOSA-N 434.342 2.142 30 10 IEEE C=CCn1ncc(NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(Br)c1=O 2106032761 NLRMXHCONZRKQF-GFCCVEGCSA-N 429.315 2.240 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678007 LEOHWJYZBCYITN-NYHFZMIOSA-N 447.341 2.249 30 10 IEEE C#CCn1ncc(N[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2OCC)c(Br)c1=O 2162352743 QFBLYLKCTNMRIU-CORIIIEPSA-N 441.326 2.122 30 10 IEEE C#CCn1ncc(NC[C@H]2C[C@@H](OC)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2172450044 UIVGLCSBGUOSIS-CHWSQXEVSA-N 441.326 2.075 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224078150 CHLJRTQJTREUNP-UHFFFAOYSA-N 433.358 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2224121090 OXKMHGLPFCNZMV-KRWDZBQOSA-N 433.358 2.241 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@H]1C)B1OC(C)(C)C(C)(C)O1 2247962486 OCHHHXQYJJEAAJ-CHWSQXEVSA-N 440.293 2.035 30 10 IEEE CC1(C)OB(c2cscc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255540090 IPJJGMUNSNHOAZ-HSZRJFAPSA-N 442.390 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255844543 YHFFIAMDDDCWHW-IPYPFGDCSA-N 449.382 2.428 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)o2)OC1(C)C 2255847518 QULUMWJGHVMLEP-UHFFFAOYSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]12 2256620398 HYSLBAUUVKGOLF-SQHYZVFZSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094550 HPTAUVWMXZUHEL-VRKREXBASA-N 446.357 2.131 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267129728 FQFCHFZPNWQXIW-HOCLYGCPSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2267142206 QZEHHDLVFZVLTM-JLCFBVMHSA-N 446.357 2.038 30 10 IEEE Cn1cc(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504389 RGDJDWOCTMAFKM-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519455 HLEKQYOEWMQDBX-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267530663 DZJLHNMHKDAHHI-ZIAGYGMSSA-N 446.357 2.084 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267586931 QQATZRMRQICRAT-OCCSQVGLSA-N 441.259 2.052 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2267603691 GUPHGGNKTXWBBQ-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268637468 MXMVTEFTBPAEMA-HDMKZQKVSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268721745 PPALGYBOXACKNP-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE COc1cc(C=CC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)cc(OC)c1OC 2325559139 WSWITCKHPBVODL-UHFFFAOYSA-N 427.457 2.165 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(F)cc1F 2330748038 UEWNEYGMHFTBCF-UHFFFAOYSA-N 448.455 2.076 30 10 IEEE N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccccc2Cn2ccnc2)CC1 442914928 UXWDZUICCIWGBB-UHFFFAOYSA-N 425.489 2.453 30 10 IEEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 470956179 RHPYONGZCCZFSI-AWEZNQCLSA-N 431.480 2.252 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(F)cc(Br)c1 480573634 GUGWOIFDZCULNB-LLVKDONJSA-N 440.294 2.443 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c(F)c1 481039734 OGOVKAPYYOWNDH-LJQANCHMSA-N 444.532 2.014 30 10 IEEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C2 483062427 URTAGCVNUOAPPU-MHECFPHRSA-N 436.512 2.416 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cn2)C[C@@H](C)O1 487802487 PFXGJAYWCNOJKD-FUHIMQAGSA-N 436.516 2.325 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)N[C@@H](C)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506892008 GCAONVZXWYRESO-RXVVDRJESA-N 449.559 2.184 30 10 IEEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 506915832 WWEUGAOVFAIEOP-ZWKOTPCHSA-N 448.520 2.214 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 508887775 KIUXPSRYOCPJFT-FUHWJXTLSA-N 448.593 2.428 30 10 IEEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1=O 556899655 RTWLYOJDOFWFKR-INIZCTEOSA-N 427.457 2.499 30 10 IEEE COc1cc(CNC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)ccc1C#N 563759665 VDPBEPMIYRGALU-HNNXBMFYSA-N 435.484 2.472 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](C)C(=O)OCCC(C)C)nc1C 586304554 PPKWZYYPBRCHQA-DBDZUICISA-N 430.548 2.459 30 10 IEEE CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C(=O)NCc1ccc(C#N)cc1F 586864197 NOKHQCCXEBZOOD-UHFFFAOYSA-N 435.358 2.302 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 607141224 FSQQNFPIDKZKLV-KRWDZBQOSA-N 433.533 2.365 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669811414 QADOXPBHZVMDIB-XLIONFOSSA-N 442.539 2.171 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc3cnccc23)c1=O 684533937 GWDZJXGIODMOMG-SFHVURJKSA-N 431.517 2.143 30 10 IEEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cc1 730139493 QOEQFCABPRDSKY-MOPGFXCFSA-N 432.590 2.427 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1F 730719015 VCCJCALAKDOZRZ-QGZVFWFLSA-N 433.509 2.322 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCN1C1CC1 732706908 RKWYXNRLMLREJK-SJORKVTESA-N 432.908 2.035 30 10 IEEE C#CCN1CCN(C(=O)CN(Cc2ccc(OC)cc2)c2ccc3nc(O)[nH]c3c2)CC1 748823518 ALNNDMPXIPZOIL-UHFFFAOYSA-N 433.512 2.061 30 10 IEEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 754436975 FKUGHNSYCCVBLS-MSOLQXFVSA-N 446.573 2.422 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 756888372 AMRDNZIAGRBCQM-GDZNZVCISA-N 434.443 2.193 30 10 IEEE CN1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccccc1 759956774 OWDBAHPGNKRVCA-RXVVDRJESA-N 426.542 2.067 30 10 IEEE C#CCN(C(=O)c1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCS(=O)(=O)C1 764871656 VPTWYXWCCPCNIA-MRXNPFEDSA-N 436.331 2.206 30 10 IEEE Cc1cc(Br)ccc1CN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 764961197 PYCWOFRBNHPORF-UHFFFAOYSA-N 436.331 2.455 30 10 IEEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cccc(-n2cnnn2)c1 765232142 ARKNDOFGFYFKPG-UHFFFAOYSA-N 436.247 2.073 30 10 IEEE N#C[C@@H]1CN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)CCN1C1CC1 765456914 IBVYEKKOOIPBBS-MRXNPFEDSA-N 438.513 2.470 30 10 IEEE N#Cc1ccc(NC(=O)COC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)cc1 768045263 JHEZAAXCIYYCNJ-UHFFFAOYSA-N 432.305 2.499 30 10 IEEE C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@H](O)c4ccc(C#N)cc4)CC3)cc2NC1=O 780922337 IBXYFHIVHDUURO-JLCFBVMHSA-N 433.464 2.433 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)NCc3ccccc3CN3CCOCC3)CC2)cc1 781400207 PYGJQXFFQSKFPK-UHFFFAOYSA-N 433.508 2.282 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)O[C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 786811312 XWRAXBKVNGRDIA-FQEVSTJZSA-N 435.480 2.282 30 10 IEEE C#CCN(C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCOc2ccc(Br)cc21 801516783 DMHKJXBSLQTRBZ-WMLDXEAASA-N 427.364 2.489 30 10 IEEE C#C[C@@H](NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1F 804416328 CSOQBSZDGVAZOR-MRXNPFEDSA-N 428.851 2.091 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C2)CC1 805154101 XOXPFZANYORYQD-IBGZPJMESA-N 443.548 2.274 30 10 IEEE C[C@H](NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 853721249 AFYULNROSUDZEE-UONOGXRCSA-N 449.916 2.299 30 10 IEEE C=CCOc1ccc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 917493616 FJLVSOPJJRHHSZ-UHFFFAOYSA-N 447.532 2.411 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1125053143 XRULQEIDIOTPFO-UHFFFAOYSA-N 433.472 2.310 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1127421196 PWQGLBKLVDWDGQ-QZTJIDSGSA-N 429.521 2.276 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1129071192 LAYNQHWGAJTEBC-GJZGRUSLSA-N 445.516 2.386 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1134997951 ZSVBQQJYBCHTAM-WDYCEAGBSA-N 441.475 2.495 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 1137322139 SERYTYRKNDNIJJ-GOSISDBHSA-N 432.448 2.297 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1137588017 OYQUMFQMGUCDOT-YRXWBPOGSA-N 435.565 2.332 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)c1ccccc1 1143135164 DVBOGIMIGOZZIE-KRWDZBQOSA-N 430.486 2.184 30 10 IEEE C=CC1(CC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)CN(C(=O)OC(C)(C)C)C1 1143159257 ARQCDBZOSPQUFR-QFIPXVFZSA-N 442.516 2.171 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)CC1 1150000728 NYJJGFCGLGNNJM-INIZCTEOSA-N 440.422 2.208 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)CCc3ccccc3)CC2)cc1 1155769035 DPEIMJAJZOLXHU-OAQYLSRUSA-N 441.553 2.069 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(N4CCCOC4=O)CC3)ccc2c1=O 1157530214 JAIBEBUIHPVNPX-UHFFFAOYSA-N 428.514 2.318 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCN(CC4CC4)C3)CC2)cc1 1168222617 GOAHUWZBJMAXBQ-HXUWFJFHSA-N 444.601 2.197 30 10 IEEE C#CCC1(O)CCN(C(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 1175854900 ZNRVKGIBWFFGPE-UHFFFAOYSA-N 432.542 2.302 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1286294073 BCONWXOYUWIFQN-YLJYHZDGSA-N 425.533 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1286298235 HMEGCQQVZWMKIY-LSDHHAIUSA-N 433.603 2.216 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2ccncc2)c1 1286312403 XSZZGGTUQVKINK-FQEVSTJZSA-N 430.512 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1CCCO 1286519124 RKMQMOAQYPSIJB-HUVFLSCGSA-N 445.608 2.158 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnnn2C)C1 1286803486 IODIOTCGUPGSSL-OAHLLOKOSA-N 447.341 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286821638 RBWMENCMMRDTGF-UYAOXDASSA-N 448.589 2.018 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1286971310 HULZDTGVYWHWOW-WCJKSRRJSA-N 445.568 2.424 30 10 IEEE Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)on1 1290969777 BZFGEOGHCKHBFU-SJORKVTESA-N 443.508 2.424 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC(C)CC1 1292134264 RGICVDSPHZZDJG-HXUWFJFHSA-N 445.612 2.437 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1300673701 VXLAMFQXZXEADZ-UHFFFAOYSA-N 436.965 2.186 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 1300682090 DXWXNKJDTXQFQQ-GHTZIAJQSA-N 443.523 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC)N2CCCC2)CC1 1300726322 KIMJAZWHEYSRGK-JOCHJYFZSA-N 449.603 2.104 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300767456 YWUVSCAXORTWGS-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)O[C@H](C)C1 1300848478 GFASLYFBDYSZSG-MCIONIFRSA-N 433.372 2.093 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1301515216 RNIWHLNDXGKLLF-UHFFFAOYSA-N 442.539 2.363 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(C)(=O)=O)C1 1301545345 FYSVCXYJIWIWAK-KRWDZBQOSA-N 427.530 2.319 30 10 IEEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1301617812 JBBADLXKEFNQGN-IBGZPJMESA-N 445.589 2.344 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302146879 XWXQVLPPCSBJED-VIKCJLSCSA-N 442.564 2.400 30 10 IEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1314835417 QTTHQUREJORRPN-HSZRJFAPSA-N 449.515 2.003 30 10 IEEE C=CCO[C@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)C1 1320038077 NCXFWIHAOFECNY-JIHKLPAASA-N 433.505 2.255 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCNC(=O)[C@H]3c3cccs3)CC2=O)cc1Cl 1354777332 COIFPMUMAORQQB-FZKQIMNGSA-N 428.901 2.326 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358966454 PJBHMYCTTYVBSQ-NRFANRHFSA-N 442.585 2.117 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)s1 1359024397 MBQJWCMKUJFSLL-CYBMUJFWSA-N 428.967 2.029 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCO[C@@H](C)C1 1359026647 GLHRUDYLFXOTSW-IRXDYDNUSA-N 431.562 2.171 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)CC1 1359038722 HWFAEWZFIDSQRC-DEOSSOPVSA-N 434.544 2.299 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCOC2(CCOCC2)C1 1359083667 OMSCBUZDEQAKKM-OAHLLOKOSA-N 427.343 2.467 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359168438 UPAPKGYZQYBDKN-INIZCTEOSA-N 449.602 2.251 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)COC)CC2)cc1 1359308928 CHNQCLZUSYFYQY-HXUWFJFHSA-N 441.532 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359330607 XJSGMOOIYXKVJP-INIZCTEOSA-N 443.533 2.016 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1359476656 IKSYPARTGWVFIS-BBRMVZONSA-N 445.911 2.095 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 1360836843 BZJZPJXIDQALGD-NQIIRXRSSA-N 429.546 2.399 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cnn(C)c1I 1439606215 ZPOWJOYPRGXSGR-UHFFFAOYSA-N 425.230 2.185 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](Nc1ncc(C#N)cc1Br)CCS2(=O)=O 1458683685 RIGDEKUOCZBPCL-BWBHSNQOSA-N 428.308 2.027 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 1465436736 CNGRZPLVFGCNEV-QGZVFWFLSA-N 432.550 2.158 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3noc(C(F)(F)F)n3)C2)C1 1467594464 JYHJGTRRMQYUFS-GCULGPDHSA-N 429.399 2.491 30 10 IEEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1468374148 SWSHCTVIZCGPEY-OAHLLOKOSA-N 444.900 2.107 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)cc1 1470858547 MEIKRPJTIHQUCP-UHFFFAOYSA-N 445.541 2.131 30 10 IEEE CC(=O)Nc1cccc(-n2nnnc2SCC#CCN2C(=O)c3ccccc3C2=O)c1 1472976475 UUNKKVWEJNZJBY-UHFFFAOYSA-N 432.465 2.012 30 10 IEEE Cn1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)n1 1503662315 CBWLSLMVNOMJJT-QGZVFWFLSA-N 433.289 2.270 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1507539112 RFBQLGHRPBQKLR-QUCCMNQESA-N 435.638 2.396 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1507591622 MJOIHTJPMPNMSK-IAGOWNOFSA-N 440.552 2.032 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1507762337 TWBSLDXACPBSQT-HSZRJFAPSA-N 437.548 2.028 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OCC)C1 1508079067 NCOAIOBVGWRYNZ-QGZVFWFLSA-N 427.505 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1508081223 VVNPDJBVBUBDIE-UHFFFAOYSA-N 449.559 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](F)(C#N)C1 1508136676 VMJLRIWWHSTYRK-FQEVSTJZSA-N 449.508 2.005 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H](C)c1ccccc1 1509695983 OYANSYYFFICALO-MJGOQNOKSA-N 426.521 2.313 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1509943530 DNFLXEMTHWIQHU-INIZCTEOSA-N 427.505 2.386 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCN(C)C(C)C)cs1 1511546551 JEXXKCWACXRDET-IBGZPJMESA-N 428.610 2.151 30 10 IEEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)CC1 1519503386 BRSWXFHQUUJWKF-UHFFFAOYSA-N 437.472 2.151 30 10 IEEE C#CCOc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1521873575 QEJUWMQMPQZIGG-UHFFFAOYSA-N 429.494 2.340 30 10 IEEE N#C[C@@]12CN(C(=O)[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)C[C@H]1CS(=O)(=O)C2 1538308899 ZHAMYLMQENKGNU-UHOSZYNNSA-N 442.459 2.051 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539049143 IBOPVPHFWWFVKC-INIZCTEOSA-N 449.353 2.181 30 10 IEEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539115747 HPNKHTFXCRCBPF-UHFFFAOYSA-N 433.560 2.486 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC)[C@H]1CCS(=O)(=O)C1 1539206568 RKFURJTVYWHSQY-ZDUSSCGKSA-N 426.340 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1539336816 HGTWHUYZHVAOJM-QFIPXVFZSA-N 425.920 2.452 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC(O)CC1 1539346919 MVBUCJNFDFWGKM-UHFFFAOYSA-N 449.397 2.352 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2sccc2c1 1539396074 KKQYQEAPNXMNSC-HNNXBMFYSA-N 447.586 2.237 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2n[nH]c(C)n2)CC1 1539436694 ZELBSQPESBZAMX-UHFFFAOYSA-N 428.903 2.162 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)CC)CC1 1539488699 NOXYLCCDUHHRJH-XMMPIXPASA-N 439.560 2.292 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1539526712 STGSEAMMUOKPOJ-UHFFFAOYSA-N 442.589 2.383 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1539566729 PFBUEGJOWNBYJP-OAQYLSRUSA-N 431.562 2.015 30 10 IEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539592345 CXYCHBXQBDHIDJ-UHFFFAOYSA-N 445.325 2.307 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1539675471 RVSOLVGUMVRACT-KRWDZBQOSA-N 441.285 2.146 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1)c1ccccc1 1539766179 PIBLGUBGDVZSFA-QUCCMNQESA-N 444.605 2.276 30 10 IEEE C=CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1540109428 XSURCUJOIKWSPQ-KRWDZBQOSA-N 431.562 2.235 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540660822 BIFLJEGXNYLIHN-IBGZPJMESA-N 436.516 2.133 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1540870693 UKVFIVDDQSZEQX-CQSZACIVSA-N 443.533 2.169 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1540874140 WRICEGVELLFXQN-UHFFFAOYSA-N 442.951 2.035 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1540880383 FJEWLUHXQZQAEH-UXHICEINSA-N 441.532 2.084 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1540913913 XJLLPFSJYXKIMT-HNNXBMFYSA-N 442.545 2.365 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c(=O)nc1O 1542809221 DWKANWUJXQGKLH-UHFFFAOYSA-N 435.415 2.170 30 10 IEEE CN(C)c1nc(N)nc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)n1 1558166324 SNJSMIRAORPJND-UHFFFAOYSA-N 434.309 2.225 30 10 IEEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1560200414 WTLLAHCLMKUWNP-HXUWFJFHSA-N 433.574 2.153 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561699955 GRJWXIWBVPQINK-LBPRGKRZSA-N 449.220 2.020 30 10 IEEE N#CCc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3CNS(N)(=O)=O)cc2)cc1 1569041166 BVJLDMDZFQZGQX-GOSISDBHSA-N 428.514 2.333 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCS(C)(=O)=O 1587739750 ZMKSDKPYFYRZAH-UHFFFAOYSA-N 432.546 2.391 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588049201 BRFFZHDFROVHMS-HXUWFJFHSA-N 427.574 2.205 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588049808 LMHRLTUNNIQBPD-CYBMUJFWSA-N 429.468 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCC=C)CC1 1588961488 ANWYWOJFROBFAT-UHFFFAOYSA-N 441.605 2.025 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CC(N)=O)C1 1589582154 ZDWKHJIYEMBKSH-LBFCPWMRSA-N 447.580 2.075 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1593825605 BESCAWSHJDKYJD-UHFFFAOYSA-N 426.926 2.292 30 10 IEEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1595303690 YGHRSLDDCSXOKA-ZULIPRJHSA-N 441.576 2.313 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1C 1595551515 RBZATSYOUGLRTR-IEBWSBKVSA-N 443.573 2.132 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1598207599 CWBVRJZTXGVTIU-SFHVURJKSA-N 445.541 2.004 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)cc1Br 1612045594 MCFUYLNBIVCZKC-HZPDHXFCSA-N 448.321 2.160 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)CC1 1615578110 OLENRSSUQSMOJT-XZOQPEGZSA-N 440.588 2.275 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccccc2C)CCOC1 1616260791 FWAITRICRSXCDL-XMSQKQJNSA-N 427.505 2.046 30 10 IEEE C[C@H](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)NS(=O)(=O)c1cccnc1Cl 1625436373 JNZZKEYXGZZYMP-JLTOFOAXSA-N 432.933 2.359 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCS(=O)(=O)C[C@@H]3c3ccccc3)cc2C1=O 1626875747 PIRKGTXJSDCHHT-HXUWFJFHSA-N 438.505 2.471 30 10 IEEE C[C@@H](CC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1632093329 QOHVMWDCXNBFDT-NSHDSACASA-N 433.427 2.397 30 10 IEEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1634984348 QKVRPXYSZBKZLO-ZNZDAUKMSA-N 427.482 2.140 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)c2c(Br)nc3n2CCOC3)c1N 1636176715 YCXOSIGTEKQWJY-UHFFFAOYSA-N 428.250 2.068 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1639637812 GNSQQUYPSOLHGA-NRFANRHFSA-N 441.509 2.029 30 10 IEEE N#Cc1sccc1N1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 1643810695 BCKGZZHCOXTMLU-UHFFFAOYSA-N 437.569 2.294 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)C2=O 1645084946 GNOMBYFJLLWRND-HRZDDSQGSA-N 438.532 2.247 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(c4ccc(C#N)cn4)CC3)C2=O)cc1 1646082502 RWSGXHPYZZXNSK-NRFANRHFSA-N 442.479 2.436 30 10 IEEE C#CCN(C(=O)CN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649383928 XNZFDMMEYGCJGT-UHFFFAOYSA-N 425.485 2.144 30 10 IEEE C=CCOc1c(Br)cc(CNCCc2nnc3c(=O)n(C)ccn23)cc1OC 1658010743 FDHGWNJHJHOYHX-UHFFFAOYSA-N 448.321 2.096 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 1681326010 RGAWBZAXJBCMKT-UHFFFAOYSA-N 427.526 2.217 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1689996223 FLAOFDLFHIAXRP-HXUWFJFHSA-N 428.558 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1noc(CC)n1 1689998724 UVMQZOADMRQTJP-UHFFFAOYSA-N 431.500 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1cccnc1N1CCOCC1 1690042238 ZOQFAGXMTGWSOS-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCCS(C)(=O)=O 1690053715 GUEXNNLPUXKDEA-UHFFFAOYSA-N 428.558 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1COCCO1 1690055001 LWBNVBOHORMWCM-GOSISDBHSA-N 426.542 2.457 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1690077305 MIXIWYJGUWWKPI-SFHVURJKSA-N 438.557 2.089 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H](C)N2CCCCC2)CC1 1690110806 ZXEJIXJZLHYBBH-HXUWFJFHSA-N 443.640 2.216 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1690526682 BUHADQZEQMVIOB-HZPDHXFCSA-N 441.598 2.352 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](OC)C1 1690665431 DBAPHOMIJKMIBC-QGZVFWFLSA-N 429.521 2.268 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](CC)C2)cc1 1690679332 QXLZMYMCOMFWTC-AEFFLSMTSA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690717570 JWVJVFQXBPLKNN-CRAIPNDOSA-N 449.533 2.458 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](SCC)C1 1690724293 LOHFYKUPCFRALT-IRXDYDNUSA-N 428.624 2.495 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1693893288 NZSDEXDOJOXAGZ-AUSIDOKSSA-N 438.532 2.117 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCSC1 1697627787 HDQKSIKBVRDDHU-MGPUTAFESA-N 447.586 2.176 30 10 IEEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1698318426 YVIUBVISEHANBV-UHFFFAOYSA-N 426.546 2.260 30 10 IEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCOC2)CC1 1698488934 MVMNCBMZVNQGEN-SFHVURJKSA-N 439.520 2.109 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCCCN2CCOCC2)cc1 1698488963 NIMBGIZZVORSAN-UHFFFAOYSA-N 442.589 2.394 30 10 IEEE C#CCN(c1nnc(COCC)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1705571967 MQJCQHRYXMHYEM-IBGZPJMESA-N 446.573 2.137 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)c1cc[nH]n1 1705576051 DTDBIFOGYQNMNV-UHFFFAOYSA-N 442.310 2.478 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1705612103 ZGMKAKHBYAWDRL-UHFFFAOYSA-N 435.532 2.003 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)OC)CC1 1705648196 ROOGYNGXRRIXPC-GOSISDBHSA-N 447.543 2.132 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705661429 BGAIUQURLCXIQJ-INIZCTEOSA-N 431.587 2.172 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccnn2)CC1 1705686992 RACMCRKJXMQDEM-UHFFFAOYSA-N 429.326 2.309 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CNC(C)=O)CC1 1705701829 DFQSSQXLILCITO-UYAOXDASSA-N 425.537 2.069 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCNS(=O)(=O)CC)CC1 1705783393 FXPFKPQGANJIRB-UHFFFAOYSA-N 433.578 2.219 30 10 IEEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705804225 TVNUAXMGZQLMKM-UHFFFAOYSA-N 445.549 2.270 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705813254 BCLBVNNZOZCJKO-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H](C)C(=O)NC 1705896184 DQBBFZAYBCLNLQ-HUUCEWRRSA-N 444.605 2.252 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCC2)CC1 1705904912 CBKYMQBTZOJPKM-UHFFFAOYSA-N 430.503 2.124 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCCCCO 1706619759 LWOQMXMVNKOGAY-UHFFFAOYSA-N 439.564 2.167 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1708756335 AGSLECTZBOCGCF-QGZVFWFLSA-N 425.537 2.384 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CCOC1 1710423031 DQEUYHGMXLLSBL-FZONSQQESA-N 448.612 2.414 30 10 IEEE Cn1cnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1711267952 DTFMOOFEROTYNC-SFHVURJKSA-N 436.520 2.060 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1722309114 VTTPSQLQNXTDHC-BJLQDIEVSA-N 448.637 2.145 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722333123 SDFPHGLKRJQCHS-NJYVYQBISA-N 442.608 2.012 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC(C)(C)C1 1722344019 SGCYVMPYMJEYIJ-UHFFFAOYSA-N 435.370 2.226 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722368457 RVZXIXHZFGFXSE-RTBURBONSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1722379062 VJKGVRHZFIMAOL-LJQANCHMSA-N 442.523 2.061 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2OCC[C@H]2C)CC1 1722433141 MQLDOTDTEBYPLA-RHSMWYFYSA-N 433.354 2.216 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2ccco2)N2CCCCC2)CC1 1722441719 PALZGZJMXGAQFL-HXUWFJFHSA-N 426.565 2.390 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)C1 1722722139 MVGCABFOBSMLHW-BOCKYXSRSA-N 428.533 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2ccccc2F)C1 1722731118 DVJABBIVGJMHJA-SFHVURJKSA-N 438.525 2.132 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1723090566 PHPQNNXMRSRQNJ-MOPGFXCFSA-N 430.516 2.251 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCSCC(F)(F)F)CCOC1 1723691453 LNIGGJBKGOYVPK-RHSMWYFYSA-N 449.499 2.343 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@H](Cc4ccc(C#N)cc4)C3)n2CCOCCCO)cn1 1729573618 KFCAQIUAXIFWMQ-OAQYLSRUSA-N 449.559 2.408 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1729778422 NGIVAVKZKYXXMY-HNNXBMFYSA-N 435.431 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1740547931 CBOYFSNGVADAQQ-YOEHRIQHSA-N 430.509 2.389 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)nc2)c1 1740564722 VSKIXODTDMSEIJ-LJQANCHMSA-N 446.511 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCOCC1 1740643018 CGXGGTJQMLKJGK-UHFFFAOYSA-N 446.599 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ncccc1N(C)C 1740654496 KMZFIQYNFDNTSK-UHFFFAOYSA-N 438.539 2.489 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1740674087 SRTGMKMFIQWCCD-JTSKRJEESA-N 443.573 2.457 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOCC(=C)C)CC1 1740697844 MZUJWSRQGBVMLF-UHFFFAOYSA-N 425.533 2.310 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740720577 DNWZTCJWYLODKU-IBGZPJMESA-N 426.590 2.371 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1)C1CC1 1740910978 VNMKTXWJPMTUDC-HNNXBMFYSA-N 426.608 2.247 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c[nH]nc2c1 1744096223 AYDOZEFKPJQJBR-GOSISDBHSA-N 436.520 2.044 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOC2CCCCCC2)CCOC1 1746732923 CKCZTBCEOKMSPU-SIKLNZKXSA-N 433.553 2.398 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1747385555 CGLOTSPHRZSHQJ-KRWDZBQOSA-N 435.525 2.205 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1748740195 NJDHTXKLPVJTCF-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CSCCS1 1748784912 VASBUGJTOVXKAC-CQSZACIVSA-N 426.571 2.110 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748823855 DCVLUTSDSUBHCJ-CEXWTWQISA-N 436.578 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1748901089 RSHLGVNIWRGWKR-GOSISDBHSA-N 442.564 2.167 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 1748906574 HMPNWTSVLOCLMB-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCOC1 1748912526 GHWCQFOOCPOCCV-QGZVFWFLSA-N 430.578 2.433 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2Cl)CC1 1748971312 LKHBITNCWSLCLX-UHFFFAOYSA-N 444.942 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC)N2CCCC2)CC1 1749010153 OKXACMHEVKJMQB-LEWJYISDSA-N 442.608 2.360 30 10 IEEE CO[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1749217334 UEWMPVRABZVYAF-VAYKLRKYSA-N 442.564 2.398 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1749473375 GOMSLUSKHDJJDW-UHFFFAOYSA-N 430.310 2.483 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1)C1CC1 1749519375 KONVHLNBYXBABQ-KRWDZBQOSA-N 435.594 2.128 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1749550991 OGKBMHIWNWLNQK-QGZVFWFLSA-N 449.602 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749659085 UJTKUHIFITVPSO-CABCVRRESA-N 442.589 2.101 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749713285 RHIPYRPARQXQIC-JVMRMLDLSA-N 428.537 2.174 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1COc2ccccc2O1 1749830541 MOXBLWHLAXCQDZ-ZWKOTPCHSA-N 427.505 2.379 30 10 IEEE COCCOCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1750097609 UIFIFVMYOJNWHN-GHTZIAJQSA-N 431.468 2.286 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1750206728 NXKNVLPYWOBSHB-GOSISDBHSA-N 441.916 2.102 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1750523821 DFQBZQSQUWPZOO-BFCWOKAWSA-N 437.610 2.473 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1751474909 LUIXAXCQLBJHJL-QQMHEVNUSA-N 440.504 2.378 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccc(N(C)C)cc1 1751930042 DMXJNLADEJMUNG-QGZVFWFLSA-N 431.548 2.272 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1ccco1 1760114158 HOYIQLODICSALH-CQSZACIVSA-N 431.456 2.075 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)CN1CCOCC1 1760119407 ZNAOVXQVCHCCHW-VQTJNVASSA-N 425.577 2.498 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1760125549 QWBBBBRTHTWLAN-HOTGVXAUSA-N 440.552 2.394 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760129801 ZMBCRLXJXGVONC-UHFFFAOYSA-N 442.486 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 1760212313 WPSBPBPXMRUPPC-FQEVSTJZSA-N 446.349 2.315 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCn1cc(Br)cn1 1760237431 JORIHAITTSRSMO-UHFFFAOYSA-N 431.342 2.258 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCn1cc(CO)nn1 1760298599 NMDRQAMXYKAAPX-HSZRJFAPSA-N 435.532 2.332 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760442158 HUIOSLSFRZZWPH-NHCUHLMSSA-N 443.640 2.362 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760452632 PBZZIAHJSMHZLS-QHCPKHFHSA-N 437.548 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760558829 BQAOYGKCXWWJDQ-QZTJIDSGSA-N 434.566 2.077 30 10 IEEE Cc1coc(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1762209733 GTHQODRGJGGWFX-OAHLLOKOSA-N 426.502 2.257 30 10 IEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1768439605 GZPGOOMTEUEDNU-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)OC)cc1Br 1770086673 HOWZRPDAFOAWOB-JSGCOSHPSA-N 436.310 2.480 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1770400867 KRJLGMJDXRJNKK-KSFYIVLOSA-N 437.504 2.072 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1771155766 YRBREZZJCJSUDN-UHFFFAOYSA-N 434.500 2.437 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1C 1851520491 GXQGBLDKWADFSZ-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE N#CC1(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)CCOCC1 1852540350 OXONMQSJFCLEDK-FGZHOGPDSA-N 436.556 2.354 30 10 IEEE COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)COc2ccccc2C#N)CC1 1852768159 QFJKVGLHVYFNSS-OAQYLSRUSA-N 448.523 2.285 30 10 IEEE CN1CC(=O)N(C(=O)Cc2cc3c(cc2C#N)OCO3)[C@@H](c2ccccc2Cl)C1=O 1853393757 JVOHTAZOPNMCNF-FQEVSTJZSA-N 425.828 2.051 30 10 IEEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855824215 KGBOICKCILITSS-AZUAARDMSA-N 437.606 2.139 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1 1856265907 CJTOCZCSCDJKNU-CQSZACIVSA-N 431.901 2.415 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)[C@H]2CCCO2)nc1C 1858727301 AXOPLXDEZSAHAX-CQSZACIVSA-N 446.485 2.324 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCc2cccnc2)c(C(=O)OCC)c1C 1860761392 TYOVPAOBZSKXRR-UHFFFAOYSA-N 431.470 2.226 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)sc2c1 1865861826 IRKUSSOGDPBUPA-KUDNYVPYSA-N 433.511 2.222 30 10 IEEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCCN(C)C)c(C#N)c(C)c1C 1870185914 RZYRLLRLHDNNRJ-UHFFFAOYSA-N 443.573 2.148 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)cn1C[C@@H](C)O 1870523063 IIZJQKFGBJIOCK-HXUWFJFHSA-N 439.556 2.141 30 10 IEEE O=c1c(Cl)c(N/N=C/c2ccc(Br)cc2)cnn1[C@H]1CCS(=O)(=O)C1 1873529532 UVCOYDQJCYOYPP-KXKLRXOYSA-N 445.726 2.465 30 10 IEEE COc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc1OC 1874377962 XKTUKXVUCXMZEC-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cncc4cccnc34)CC2)CC1 1889528415 ZIBWJUSSOFCTAZ-UHFFFAOYSA-N 435.572 2.280 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(C(=O)NCC#CCN2CCc3ccccc3C2)cc1 1890440944 VAOLIVKPNDAFOP-UHFFFAOYSA-N 425.554 2.165 30 10 IEEE CN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C1CN(c2nccnc2C#N)C1 1891576088 PAYSNRMKOHWIFL-UHFFFAOYSA-N 437.463 2.008 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1984848958 HXQCBWPBIIKCEP-ZIAGYGMSSA-N 429.514 2.330 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1 2010148448 SJSLHVPVPWPFHN-YKSBVNFPSA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2085300202 IBCCXQYXEPAWPA-CABCVRRESA-N 439.362 2.230 30 10 IEEE C#CCN1CC[C@H](NC(=O)c2cc(I)ccc2Br)C1 2139349512 QJXHRVOMICFLFS-NSHDSACASA-N 433.087 2.491 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229108059 RPCHDWBDINUFRU-GOEBONIOSA-N 425.323 2.385 30 10 IEEE C[C@@H](CCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243423042 QTODNHOQKXYHEC-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC[C@H](C)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248404703 MCLXLRUSZXXJBJ-LBPRGKRZSA-N 440.375 2.233 30 10 IEEE CC(C)(C)OC(=O)NOCCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248420174 ORHUWLPRATXCSY-UHFFFAOYSA-N 425.266 2.305 30 10 IEEE CC(C)[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2248420683 ZCNXJZHJYVLEQV-LBPRGKRZSA-N 440.375 2.089 30 10 IEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831019 OUHPZUIKIBVFKZ-OAQYLSRUSA-N 436.362 2.474 30 10 IEEE C[C@H](CCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255875476 YLLDHXQHOINYLC-CQSZACIVSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256619947 CGZTXVWFTJULAP-ZBFHGGJFSA-N 433.314 2.002 30 10 IEEE CC(C)(C)OC(=O)NCCOCCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256621261 RYPSMVWVJUVEJC-UHFFFAOYSA-N 435.330 2.251 30 10 IEEE Cn1ncc(C(=O)N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267014238 WEKWMOJGRDKNCL-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2267127769 TXISYTBVCKTHSK-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)[nH]n2)OC1(C)C 2267135544 DNUVLYMJGAMFQI-UUOWRZLLSA-N 436.365 2.303 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1 2267155170 PWPXPROXRZSJLE-IBGZPJMESA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267169315 XICFBDWLTNKABF-GOEBONIOSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267267702 LTJSRQFIDBOAGK-AWEZNQCLSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267477751 PDRFWKBMIRTSKX-IYBDPMFKSA-N 443.353 2.320 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502952 VWOHTQSQQZQRAI-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2267819095 NBYRHQHHCBRBTP-QFIPXVFZSA-N 448.325 2.411 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@]3(CO)C2)cn1 2297648663 IUBXPNLJCNJNFI-OXQOHEQNSA-N 433.434 2.272 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2336376698 XKKVIUQVDGRDGK-OAHLLOKOSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](N)C#Cc2cccc(Br)c2)(S(C)(=O)=O)C1 2351703483 AVMCYEBGVDIMMB-OAHLLOKOSA-N 443.363 2.162 30 10 IEEE CS(=O)(=O)C1(C#C[C@@H](N)[C@H](O)c2cc(Br)c(Br)s2)CC1 2367819271 SCNMDCQQWCUKHN-SCZZXKLOSA-N 443.182 2.214 30 10 IEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1C 103226335 HGZTWEKBLIAURB-UGDGIKRESA-N 429.473 2.385 30 10 IEEE C#CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 111191813 VJXFUKSXAKCLKR-KRWDZBQOSA-N 431.539 2.061 30 10 IEEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F 254847244 WSTCUESNIBAYAD-NEPJUHHUSA-N 436.433 2.172 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1=O 410098447 JCMYVDUUJYWRIG-CZUORRHYSA-N 443.363 2.104 30 10 IEEE CCCc1c(NC(=O)C(=O)NCC(=O)NC2CCCCC2)cnn1-c1cccc(C#N)c1 443728260 ZGLUQBFHKAHCTP-UHFFFAOYSA-N 436.516 2.200 30 10 IEEE COc1cc(C[C@H](CO)CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc(OC)c1 462088911 KLPOHUAGDYTBRJ-INIZCTEOSA-N 436.472 2.129 30 10 IEEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 473300619 MJCYBBWOLANJSX-LJQANCHMSA-N 449.511 2.304 30 10 IEEE N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1F 481572767 KOHXBTISALCPTB-UHFFFAOYSA-N 433.421 2.144 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 482393419 FKPMOMSSSJNPTM-HNNXBMFYSA-N 443.525 2.497 30 10 IEEE COc1cccc([C@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)c1 484802692 BXFUKQSOXVNIMV-NHCUHLMSSA-N 448.479 2.372 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 508881247 PCHMLQKAOFMTRU-UHFFFAOYSA-N 427.578 2.444 30 10 IEEE COC(=O)CC1(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CCS(=O)(=O)CC1 527125706 YZDWGNOKNUJFDE-UHFFFAOYSA-N 425.506 2.327 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 533202012 UFMKKDYXZGQREG-UHFFFAOYSA-N 445.610 2.262 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 549638262 OKODHZHSYVATMT-OAQYLSRUSA-N 426.565 2.201 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 564314713 CVMWZNBZSHZHKL-UHFFFAOYSA-N 429.889 2.623 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 564382636 PNNUOVUJSGTRTR-KRWDZBQOSA-N 441.504 2.102 30 10 IEEE N#Cc1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 610285274 SBKGTQPHEQXONX-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE CCn1c(CCC(=O)N(C[C@@H](C)C#N)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 611087211 BBFHOUNLHKFBIO-HNNXBMFYSA-N 431.562 2.390 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C 731730973 ATQZGRLXXSHHQJ-ZDUSSCGKSA-N 427.548 2.138 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC1CCN(Cc2ccccc2Cl)CC1 732462074 FUCBIVSJUOQTQW-MRCUWXFGSA-N 445.951 2.378 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(Cl)cccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 732978046 DSTGAJXHJWDEBW-LBPRGKRZSA-N 437.855 2.370 30 10 IEEE COc1ccc(OC)c([C@H](C)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742490897 ZYXSCOOAAWDDLM-KGLIPLIRSA-N 431.514 2.398 30 10 IEEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2ccccc2SCC#N)cc1 747313341 OMLHBAHIMOPERH-UHFFFAOYSA-N 443.510 2.128 30 10 IEEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 767699852 NXVKVCFKJRHWRX-OAHLLOKOSA-N 428.938 2.318 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cc(C)ccc1S(N)(=O)=O 767706815 FCWHPIIPZCGJHA-OAHLLOKOSA-N 445.497 2.143 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)cc1 775511416 APRAQPZMWQHUOG-CVEARBPZSA-N 438.550 2.482 30 10 IEEE C[C@@H]1C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCO1 776515127 HHIWKMNWGZBGOS-JTDSTZFVSA-N 433.530 2.324 30 10 IEEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccc(C2(C#N)CC2)cc1 777173346 QQVKJORXYYRQOC-AWEZNQCLSA-N 439.493 2.024 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2CCN(CC#N)CC2)[C@H]2CCCO[C@@H]2C1(C)C 783651104 OLZAUFZESDKRGZ-BSRJHKFKSA-N 434.581 2.437 30 10 IEEE O=S(=O)(Nc1nncs1)c1ccc(NN=Cc2cnnn2Cc2ccccc2)cc1 793023942 BFZUHYDJNFGGJQ-UHFFFAOYSA-N 440.514 2.425 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cncc3ccccc23)c1=O 794579325 VOQSHIKXMMPLQN-QGZVFWFLSA-N 431.517 2.143 30 10 IEEE Cn1nncc1-c1csc(=NCC(F)(F)F)n1N=Cc1c(Br)cnn1C 794853263 WGTQVIGZMLSQJX-UHFFFAOYSA-N 449.260 2.186 30 10 IEEE COC(=O)Cn1cc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 794862489 QQTNLAYLGJGZBB-UHFFFAOYSA-N 430.442 2.343 30 10 IEEE C[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 803848299 ODCDTEYWVQFDRI-OAHLLOKOSA-N 442.497 2.312 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2cccnc2OC)cn1 809943429 FHFVLMBEQKHLST-KRWDZBQOSA-N 442.545 2.150 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCc2nnn(CC(F)(F)F)n2)cc1 809998454 RSXIOYDBXIEJKO-UHFFFAOYSA-N 429.403 2.097 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 812184136 KYUFLMPHUGCZQR-JTSKRJEESA-N 449.552 2.158 30 10 IEEE C[C@H](O)[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)OCc1ccccc1 817229679 OEAKTKRSIRPYIR-XERREHJYSA-N 425.460 2.133 30 10 IEEE C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1c1nccn2cnnc12 1127359798 YCJPMEIIMWNJEB-GFCCVEGCSA-N 426.278 2.109 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1=O 1131481328 CLFCXMZBPHXGIW-ZDUSSCGKSA-N 425.407 2.462 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1136570443 HZXVRNZYGKVUON-QGZVFWFLSA-N 439.516 2.031 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NC1(c2cccc(C#N)c2)CCOCC1 1147811039 RKLBBHACWPLJFT-UHFFFAOYSA-N 429.480 2.377 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC2CCCCC2)C(=O)OC)s1 1154297591 OQMLVVBMJIJWSX-MRXNPFEDSA-N 428.576 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2ncnc3cc(I)sc23)CC1 1163146018 XHUVZDVGKSRRKP-UHFFFAOYSA-N 426.283 2.262 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)C(=O)COc1cccc(Br)c1C#N 1164047811 HRDHDRGPZKAGBL-ZDUSSCGKSA-N 425.201 2.098 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1ccc(Br)cc1 1230498435 DKHACWKAVDOANX-LJQANCHMSA-N 447.377 2.319 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)[C@H]1c1ccnn1C 1267515728 RJGWRWUMXSXIKR-OLMNPRSZSA-N 435.406 2.108 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1275014550 WVYYDPCCIFWYLQ-UHFFFAOYSA-N 446.261 2.352 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1286275819 UVUKILCOMKSYON-CQSZACIVSA-N 425.924 2.410 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnc(C)s1 1286280070 SRFKMEQLKJVCCL-CQSZACIVSA-N 444.586 2.467 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)CC 1286365706 HQEIJIUXHHUWBY-UHFFFAOYSA-N 441.351 2.220 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1snnc1C 1286463450 GRDTZZQERIJVIW-UHFFFAOYSA-N 426.502 2.011 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286490297 JOAXOBLNMQRPDP-RTBURBONSA-N 442.608 2.011 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286540731 CWSSYHQTNUECGD-UHFFFAOYSA-N 439.402 2.130 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1286648195 IRQOJRIUGPAVQW-UHFFFAOYSA-N 435.532 2.381 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1286656809 WZGNAYARIKHDFV-UHFFFAOYSA-N 446.533 2.357 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286785561 OICFWHGDGUIBRE-QGZVFWFLSA-N 439.564 2.021 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286792040 KVFLOKIEYBTGNW-VQTJNVASSA-N 438.576 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(Cl)c1 1286813838 DHVOZBFCKPSTQJ-UHFFFAOYSA-N 439.969 2.307 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286965783 NTUFTHAQMZJEHT-IKGGRYGDSA-N 443.552 2.101 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1286967259 CNMMANQAUJYZAM-IAGOWNOFSA-N 448.568 2.442 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1CCNS(C)(=O)=O 1288935840 GJMSNLXFZJIWNA-KBPBESRZSA-N 440.957 2.359 30 10 IEEE COc1ccc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 1300060681 PDJLEWXZHJGATL-VZCXRCSSSA-N 438.488 2.089 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 1300280410 CZGVRUUMKKNQCX-LLVKDONJSA-N 448.350 2.438 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1300384544 RMNQXTCFAOKOFR-MRXNPFEDSA-N 435.525 2.052 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCCC1 1300554430 CVIRSFPAOPBZMC-UHFFFAOYSA-N 447.543 2.181 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCN(CC)CC1 1301303118 VHQGSUSWXYEMEB-HXUWFJFHSA-N 436.608 2.412 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1301367608 RDEOBGAOKNBWAQ-UYAOXDASSA-N 438.580 2.101 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1301406943 ZGMGXCYYFTZPMN-KRWDZBQOSA-N 448.568 2.291 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1302192476 BZXZRGSLUSTFTO-SIKLNZKXSA-N 429.496 2.435 30 10 IEEE Cn1cnc2c(SCC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)ncnc21 1307392449 IKZVXLZBDQSGEQ-INIZCTEOSA-N 425.493 2.004 30 10 IEEE CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CC1=O 1313447179 RGZZOCRCFZFUKI-SFHVURJKSA-N 444.511 2.162 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1318215601 MMMZPKBXTLMVNY-UHFFFAOYSA-N 437.525 2.111 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358966877 YRKHWNXRSLCEPX-HXUWFJFHSA-N 444.601 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1358995943 LXXWMXZSRWKOPW-KNQAVFIVSA-N 425.558 2.435 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359034982 IFWPGJZXJDAXIQ-VXKWHMMOSA-N 428.625 2.295 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359049044 GZQMQNPKBBYMES-UKRRQHHQSA-N 447.577 2.126 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1359116627 RXYJFKIHPKXDKH-GASCZTMLSA-N 431.545 2.023 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1359270684 YQYFEXIMHILZKS-SFHVURJKSA-N 449.559 2.091 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1361288775 SSTLZRUGPJVQLW-NRFANRHFSA-N 426.477 2.412 30 10 IEEE COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@](C)(C#N)CN(C)C)c2)cc1 1436172987 XSVOVCVTRQWGMV-OAQYLSRUSA-N 430.530 2.094 30 10 IEEE CC(C)CN1CCO[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1440674826 JVESAMCFAFYLRN-CXVUKDAWSA-N 434.581 2.246 30 10 IEEE C=C(CC(C)C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1440796330 KJVBYAMYPLAJLT-UHFFFAOYSA-N 441.937 2.106 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC(OCCCOc3ccccc3)C2)c1 1445089490 LLVFZTSXKJHBCD-UHFFFAOYSA-N 432.473 2.433 30 10 IEEE C=C(C)[C@@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccc(F)c(F)c1 1447975552 SSZUIMMOIIODND-GOSISDBHSA-N 443.454 2.433 30 10 IEEE C=CCC[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C(=O)OCC 1449725116 GSNIQWPONNHXAO-SBUREZEXSA-N 427.501 2.390 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(F)cccc3F)CC2)cc1 1452217385 VQLWGLOTFJRVOH-UHFFFAOYSA-N 434.468 2.119 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1C 1452947179 JPROAFDKOHBWOC-HXUWFJFHSA-N 429.542 2.262 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@]3(C(=O)OC(C)(C)C)CCOC3)C2)C1 1452948789 ATQUHRMKJMMSFR-VIWSIHPGSA-N 449.548 2.390 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)s1 1453899956 PQDBBEHNSHHGRA-VXGBXAGGSA-N 426.482 2.323 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1455704068 KPWDZAYPUHMEFQ-MHECFPHRSA-N 447.535 2.100 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c1 1456140742 ACCYMNZMUWOXBB-UHFFFAOYSA-N 426.429 2.413 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)Cn1cc(C#N)c(O)nc1=O 1457414733 KZXARXORADZKQG-UHFFFAOYSA-N 425.445 2.147 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1467444033 AAWWLBWTJTXPGD-UHFFFAOYSA-N 432.569 2.243 30 10 IEEE Cc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c(C(=O)N[C@H](C)c2ccccc2)cc1F 1468568883 HEOWTOWXHZRSTK-CQSZACIVSA-N 449.442 2.398 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@]3(C)C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1468578630 JFYFMMYNRFLYJN-YCRPNKLZSA-N 449.577 2.434 30 10 IEEE C#C[C@@H]1COCCN1C(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1469135092 FISUTDLBAREDAA-NHCUHLMSSA-N 441.553 2.367 30 10 IEEE C=CCCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(=O)OC 1471894049 UCKOLLIDWXSNSQ-MRXNPFEDSA-N 428.576 2.479 30 10 IEEE CS(=O)(=O)c1ccc(-n2nnnc2COc2cc(C#N)ccc2Br)cc1 1473073173 IDHNNEWFSPWUIN-UHFFFAOYSA-N 434.275 2.279 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C[C@@H]1C 1502322765 DYXFYGAWBKRPOV-SIKLNZKXSA-N 437.592 2.194 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1502375818 OUBFNXVTFLEFKM-IRXDYDNUSA-N 438.488 2.093 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1504338474 GNFLQYBAJMXBBY-YLJYHZDGSA-N 433.509 2.363 30 10 IEEE COC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1504579102 AJBHPOATYYPGCO-ROUUACIJSA-N 445.520 2.131 30 10 IEEE COC[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504702537 IGVHVWGCZAUVPQ-SGRLSNSRSA-N 428.537 2.010 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1505129468 GGIAIAQHSRHDKX-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCc1nnc2n1CCCCC2 1507515986 YHFZHHCULUDVKY-MRXNPFEDSA-N 426.569 2.215 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)OC)CC1 1507755089 BAWKIZZBRPDXSR-UHFFFAOYSA-N 438.557 2.272 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1507819219 YJFXGZSBYQEPKC-UHFFFAOYSA-N 433.582 2.165 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1507935469 QEYPATKVMCLNCQ-XLIONFOSSA-N 436.582 2.097 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C)C1CC1 1507989018 VHOCIVJJBLOZGD-QVKFZJNVSA-N 432.546 2.043 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1516733260 NHGQRARJSIANMV-UHFFFAOYSA-N 448.531 2.287 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517124453 IDQLDEUMHPUMLN-QURGRASLSA-N 431.500 2.265 30 10 IEEE COCC[C@@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1518967722 CTYARGGGYBJKLA-DENIHFKCSA-N 427.505 2.318 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2CC2CCS(=O)(=O)CC2)C1 1521069130 DOTFXZZQMCHDIT-OAQYLSRUSA-N 431.537 2.330 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(CC#N)c2ccccn2)CC1 1527049433 ZPAMJAPBOUGIOK-UHFFFAOYSA-N 443.485 2.256 30 10 IEEE COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)CCC(=O)N(CCC#N)c1ccccc1 1527303369 GNBNMOGLXULCSO-UHFFFAOYSA-N 434.452 2.485 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3)CC2=O)cc1 1531526455 ARYNKMOHHDZADD-QGZVFWFLSA-N 443.467 2.148 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)OCC 1535344816 IZHNSQYXOLVITB-LBPRGKRZSA-N 428.674 2.229 30 10 IEEE N#Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 1538825173 ZUQDHYISVWKVTO-UHFFFAOYSA-N 426.470 2.010 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1539049973 NXTBSMWCSLHJCK-PZJWPPBQSA-N 441.528 2.251 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1539382143 ACCQDTWMWOHJAC-UHFFFAOYSA-N 432.463 2.480 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(=O)N(C)C2CCCCC2)CC1 1539466768 GJLKBKVNLDCRLT-UHFFFAOYSA-N 442.608 2.333 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1539752675 VWFMXSWWMDEGMP-QHCPKHFHSA-N 427.549 2.433 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539757961 FKZVGYIWQYRQIN-AZUAARDMSA-N 425.533 2.207 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCn2ccnc2C)CC1 1539874605 NXMPQELEEPSBHY-INIZCTEOSA-N 435.598 2.276 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)s1 1540396985 GEBUTTJPXWXEKW-UHFFFAOYSA-N 447.538 2.043 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4cccc(C#N)c34)CC2)cc1 1540687085 XYLAWGYOPXAUTO-UHFFFAOYSA-N 436.493 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H](C)C2)C1 1540883283 XAIJPTHJNIVTRM-RTBURBONSA-N 439.564 2.439 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1nncn1C 1540922893 ANJKKRIUXXUJOI-ULQDDVLXSA-N 433.582 2.391 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 1542813910 JCFCNXDFGINTJL-NRFANRHFSA-N 428.577 2.357 30 10 IEEE CCCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1Cl 1543888238 CQYVSPIQOXSRTR-UHFFFAOYSA-N 434.905 2.268 30 10 IEEE N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4cccn4)CC[C@@]3(CO)C2)cc1C(F)(F)F 1548366777 YTEJZXPESNIFIX-UZLBHIALSA-N 433.434 2.121 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOC1CCCCCC1 1555752684 DOQSJRCPSQOYPP-SXLOBPIMSA-N 433.553 2.470 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 1556710814 SUUKAFWNHIKBIP-AOMKIAJQSA-N 441.553 2.337 30 10 IEEE CN(C)CCCOc1cnccc1CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564859976 GYWQMKJMCXDYLI-UHFFFAOYSA-N 440.523 2.455 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1587882922 SUBLRALWABLCQY-QGZVFWFLSA-N 444.532 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)CCOC)CC1 1588780394 OHQGZLUREWCLAZ-OAQYLSRUSA-N 435.931 2.280 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1589036612 LTFBFYJFONDKJI-INIZCTEOSA-N 427.530 2.003 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1593747310 UHTPKIDCCJXWKR-PGRDOPGGSA-N 427.505 2.085 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1594456094 XUZVWQATDYLDML-GVDBMIGSSA-N 425.599 2.353 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1595603031 VURUDGASXATTGE-QGZVFWFLSA-N 430.484 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](OC)C1 1595821417 BMXXKFGMNCPURC-KRWDZBQOSA-N 440.953 2.336 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1614348884 DFVMOLQSTHRQSL-DLBZAZTESA-N 437.548 2.036 30 10 IEEE COc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1OC 1617336565 CXSWIQMFIZLWNR-SFHVURJKSA-N 436.468 2.405 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC(C)(C)C1 1620102512 OLFAJRSRXVOXOH-SFYKDHMMSA-N 446.596 2.243 30 10 IEEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(Cl)c1Cl 1627242225 CYMDJWGHKNQXTH-GJZGRUSLSA-N 437.258 2.487 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1627412842 UTHYHMBLQFXHHF-OLZOCXBDSA-N 429.468 2.455 30 10 IEEE O=C(C#Cc1cccs1)NC[C@H](O)COc1ccc(I)cc1 1631342899 BLRGPRSSXSUJEK-ZDUSSCGKSA-N 427.263 2.260 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)C1 1633836106 CZSWZOTZINNTPJ-WMZOPIPTSA-N 432.318 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](C#N)CCc2ccccc2)C1 1637802970 QWTFSXBYJAAEQM-RBUKOAKNSA-N 449.573 2.299 30 10 IEEE C#C[C@H](CO)NC(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc12 1641574052 DDHHAWYLUKDIBR-VHSXEESVSA-N 444.656 2.370 30 10 IEEE COc1cc(N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)cc(OC)c1OC 1642657969 ZAKMTQQAYCNGLE-LJQANCHMSA-N 427.501 2.146 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)O1 1649588240 DIVGFLFLVAYNIV-JXXFODFXSA-N 438.598 2.366 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3ccc(OCC)cc3)n2N)c1 1652518192 SBYHYNQNKXABBO-UHFFFAOYSA-N 436.497 2.479 30 10 IEEE CCOC(=O)Cc1csc(NC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)n1 1659750528 CDQYGKAXRLMCCP-UHFFFAOYSA-N 428.514 2.354 30 10 IEEE CC(C)(C#N)CS(=O)(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1660283560 APHXLUFJGWWCBG-UHFFFAOYSA-N 449.602 2.273 30 10 IEEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(CCC#N)cc3)cc2)CC1 1662777691 ULSVLGJOUFZLPE-UHFFFAOYSA-N 426.542 2.290 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1 1664306247 PJMISFWDDHELTJ-UHFFFAOYSA-N 429.336 2.426 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1670882525 PZZRONJWWYVSKP-DTORHVGOSA-N 444.344 2.400 30 10 IEEE COC1(OC)CC(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1676855282 OEKSFTPVDLOLNV-UHFFFAOYSA-N 430.484 2.096 30 10 IEEE C#CCN(C(=O)N[C@H]1CCc2c1ccc(F)c2Br)[C@H]1CCS(=O)(=O)C1 1682343147 HRIBHAUWEONHBQ-NHYWBVRUSA-N 429.311 2.407 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1689870243 HLXNSALSWNGLLV-IBGZPJMESA-N 445.527 2.244 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1689993051 USGGZJFUMKOLFT-FQEVSTJZSA-N 430.574 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCCO 1690034214 ANIWBLYVWYMYDA-UHFFFAOYSA-N 442.589 2.172 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1690595546 YRKIXPLWIJXJOR-PGRDOPGGSA-N 428.558 2.193 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1nccs1 1690661590 AENRVUCZDZZANL-UHFFFAOYSA-N 428.518 2.357 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1690668057 QXEJSNFCTCVSEP-UHFFFAOYSA-N 449.559 2.314 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1690668288 ZAHAGQMBTDTPOQ-ROUUACIJSA-N 439.564 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690720019 YBWTWGUTHHYTAB-INIZCTEOSA-N 430.534 2.175 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1691005683 DKQVMWMIXBCRSD-HZPDHXFCSA-N 436.557 2.343 30 10 IEEE CC(C)c1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691835685 TXZODSZLEZEMDV-DPPKGPFUSA-N 428.537 2.323 30 10 IEEE Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCN/C(O)=C1/N=CC=CC1=O 1693463832 VZOICSXHBXKZSO-PFONDFGASA-N 441.439 2.225 30 10 IEEE COCCCN(c1nnc(C(C)(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1697991133 ZUWXGZBQCAFHGA-HNNXBMFYSA-N 435.550 2.119 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1705491554 DYXQIRDVQPQGQO-IRXDYDNUSA-N 428.558 2.379 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1705570172 KTVLIUDREKVFCT-LJQANCHMSA-N 448.564 2.450 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)c(OC)c2)CC1 1705638874 AGLFUCLDNKGXFL-FQEVSTJZSA-N 425.533 2.340 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705726726 BPRDLQMVECFXMW-UHFFFAOYSA-N 437.577 2.450 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705734394 NQPZTWXHANZNFB-PZJWPPBQSA-N 428.581 2.423 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1705737540 UIURGXBMVQLLKL-LPHOPBHVSA-N 426.608 2.106 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N2CCOCC2)CC1 1705769869 HSSQQVFOEGWUNU-UHFFFAOYSA-N 425.533 2.283 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1705834944 WQCHCDSLTSGGLI-GJZGRUSLSA-N 444.602 2.014 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1705842130 LIIAXFAZWLYDRL-UHFFFAOYSA-N 436.564 2.242 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1705866135 ILMJSDUUJSQLCT-INIZCTEOSA-N 449.602 2.308 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@H]1CO 1722287388 PBIRXJUZTNCTKU-QUCCMNQESA-N 439.560 2.411 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722372164 QODDRAKNMPUVGY-IBGZPJMESA-N 447.630 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(C(=O)NC)c2)CC1 1722445234 UQSLGVWVBSOKMN-QGZVFWFLSA-N 436.560 2.165 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1722502138 RJCUKUVVAKGPPI-YGJVYZRNSA-N 444.580 2.371 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cnccn1)c1ccccc1 1722539026 DLOPPIUSDRQYTH-KRWDZBQOSA-N 441.561 2.071 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1722659183 QIPXEXGEGFTBPJ-ZHRRBRCNSA-N 431.512 2.288 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1722681927 BKQAXIFKKGHYIJ-XMMPIXPASA-N 438.576 2.474 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1723388087 ROUZYWHXDJPGHS-QFIPXVFZSA-N 441.536 2.497 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729332838 GMFYGICQVQIXIJ-UHFFFAOYSA-N 432.532 2.463 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC(=O)NCC(F)(F)F 1729409298 DBOBACSAYFBRAD-UHFFFAOYSA-N 443.433 2.450 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740566680 JDOLSNYDTZFXOG-IBGZPJMESA-N 437.548 2.030 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740573639 ANNGNPLJAMRQPU-UHFFFAOYSA-N 440.617 2.478 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1740713472 FHBCRSKNDLONLT-UHFFFAOYSA-N 432.557 2.243 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740758384 XBMBCKZKAGUWED-QUCCMNQESA-N 433.516 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1 1740992658 KUOIIJNODHDYTB-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1741807203 HKOBCPHCURXLKC-CQSZACIVSA-N 437.529 2.008 30 10 IEEE CN(C)C(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCCC1 1747523237 AWENDWBZAGVJQE-QGZVFWFLSA-N 427.553 2.008 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)(C)C)CC1 1747596376 HGRYMQWCKUEQIR-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1748667023 LTYKURWGUDGLSV-NVXWUHKLSA-N 433.516 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1748688005 WKBVBOABRSQBCG-OAHLLOKOSA-N 439.545 2.190 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1748734420 GMYTUPRUHXWYBG-IBGZPJMESA-N 447.337 2.490 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1748750471 HRCMBQUOSZGLHK-ROUUACIJSA-N 444.580 2.473 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748815100 NJIWHCWYMUQIAU-IEBWSBKVSA-N 445.589 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1748891388 UNVRDTLTLZOKKN-UHFFFAOYSA-N 435.491 2.498 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1748959368 QSFNFEBRVPUSOF-LJQANCHMSA-N 430.512 2.479 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1Cc1nnc2n1CCCCC2 1748965276 POLFDGWHONAYNO-UHFFFAOYSA-N 449.559 2.330 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCCCC2)CC1 1749003179 APBWEQWWGBBCAS-DEOSSOPVSA-N 443.592 2.476 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749049720 PLTDGGYYNSXQJE-CDMIOBSGSA-N 431.606 2.280 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)CC1 1749119412 RRCMEUSEKBGWKH-IEBWSBKVSA-N 426.521 2.115 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749225843 KOBKGEKWFKLHGQ-QGZVFWFLSA-N 425.599 2.294 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)C)CC1 1749668694 CTWAOZYYBGXYQN-FQEVSTJZSA-N 440.548 2.013 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1749671097 ZAEPEWLENUMXGC-GOSISDBHSA-N 426.477 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCn2nc(C)nc2C1 1749729431 JJMCTWXBUPYDNU-UHFFFAOYSA-N 447.952 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CC)C1 1749736966 UYSPPLSXBSFUQJ-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750035352 LLCOLCDIJNCJDJ-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE CC(C)(C)OC1CC(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1750509536 CMLRCPRVPKHCDD-ABHNRTSZSA-N 430.553 2.227 30 10 IEEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1752249395 IBXIYCSQVPUJGU-RYRKJORJSA-N 429.546 2.398 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1760179949 RNKPWWRXVOMJGE-KRWDZBQOSA-N 441.429 2.329 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1760181447 VSIONNPYLKUGQE-FGZHOGPDSA-N 441.601 2.050 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189463 JAVYLEFECPQAJH-SCTDSRPQSA-N 448.614 2.372 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCO[C@@H](C)C1 1760205419 AXRZSCXGDUYIFS-NZQKXSOJSA-N 449.555 2.364 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCN(C)C1 1760213463 CXNURWYDUBNVFR-IBGZPJMESA-N 448.390 2.299 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CSC)c1 1760249508 NBRGDPBXYBGDGE-IBGZPJMESA-N 448.614 2.178 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccccc2C)CC1 1760252245 OFMPXYIPHNSNOF-UHFFFAOYSA-N 445.527 2.068 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760277410 JWROBZRYESJZBO-NRFANRHFSA-N 446.598 2.335 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1760510914 VMWYQGNWQHCJMO-HXUWFJFHSA-N 430.597 2.177 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cc2)CC1 1760520993 GVYVBDLTRFVKJD-UHFFFAOYSA-N 435.507 2.416 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1760529488 IANYHRLVBRMDFT-FDDCHVKYSA-N 425.533 2.358 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1760596627 ZMVLSIXENRQUNT-QGZVFWFLSA-N 437.548 2.270 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1760778006 FGZOZQXSBPSKOS-IXDOHACOSA-N 432.525 2.258 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1761439585 FCSRBCRLFFQWMI-HOTGVXAUSA-N 427.509 2.230 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1763684457 XZNQYCCSCQEUNZ-XMMPIXPASA-N 449.559 2.180 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1767916410 GCGSYLXEZUADTG-SJORKVTESA-N 427.530 2.481 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1770803635 YKIZOYKEWUIIEZ-GDBMZVCRSA-N 443.401 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1772660253 OKJAXLSMPQPXDJ-VQTJNVASSA-N 441.557 2.423 30 10 IEEE CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772787485 JZAFIBDOJBPAAZ-CQSZACIVSA-N 434.445 2.366 30 10 IEEE C[C@@H](Oc1cccc2c(O)nccc12)C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851783512 BFUNELGUJVVVGH-QGZVFWFLSA-N 447.495 2.340 30 10 IEEE N#CCc1ccc(NC(=O)CN2CCN(Cc3cnnn3-c3ccccc3F)CC2)cc1 1851916031 ITALDHONXBAULB-UHFFFAOYSA-N 433.491 2.229 30 10 IEEE Cc1nn2c(C)c(C(=O)N(C)CCN3CCN(Cc4ccccc4)CC3)cnc2c1C#N 1852889738 GSPJCNJSWCUBDZ-UHFFFAOYSA-N 431.544 2.108 30 10 IEEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)C2CN(c3nc4ccc(F)cc4s3)C2)C1 1855474516 UVEBCEDJWAVENV-CQSZACIVSA-N 429.521 2.482 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C(=O)O2)CC1 1856635832 VASUHKHWZXVMMR-HNNXBMFYSA-N 445.419 2.232 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3c(F)cccc3Cl)C(=O)O2)CC1 1856652575 ALEKMQSEKCBWFG-AWEZNQCLSA-N 429.857 2.005 30 10 IEEE C[C@@H]1CC(=O)N(C(=O)COCc2ccccc2)c2ccccc2N1S(=O)(=O)CC#N 1857473462 VWHIOLAUZYXFIZ-MRXNPFEDSA-N 427.482 2.215 30 10 IEEE CCOc1ccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OCC 1860735417 REQCZHBHPYLVCF-YRNVUSSQSA-N 446.525 2.073 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)C[C@H]2Cn3c(nc4c(cnn4-c4cccc(C)c4)c3=O)S2)C1 1891717694 OGUGUCJFVFUXMO-MSOLQXFVSA-N 449.536 2.006 30 10 IEEE C#C[C@]1(O)CCCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2009819267 JDBDBVYZXBJDOY-ZEQRLZLVSA-N 427.545 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060622701 CUANADAXBBRTQB-AWEZNQCLSA-N 432.330 2.361 30 10 IEEE COCC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CN(C(=O)OC(C)(C)C)C1 2141664768 FYKPXCGDBWYPTF-UHFFFAOYSA-N 447.341 2.203 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2232252420 VBAUYSGGIJDFEG-UHFFFAOYSA-N 446.401 2.204 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831874 GCFABHUYDRHPJM-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)NC1(CO)CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2255366285 ZSLUIROJKRAEBS-UHFFFAOYSA-N 433.358 2.237 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255631594 BDGOGYTUCVUKND-UHFFFAOYSA-N 434.346 2.134 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255657745 TUBGCUSMAYVXBR-AWEZNQCLSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255711900 GBPOWESFXCAMRR-JLCFBVMHSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256027464 WLAAADLPIXLJEZ-MSOLQXFVSA-N 433.358 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256725627 YNISTPLTDSKEDA-QTCYRWPVSA-N 449.382 2.362 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC=CCNC(=O)OC(C)(C)C 2257487909 RXRDXVHWVPKCAT-UHFFFAOYSA-N 431.342 2.500 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267197013 UWFNZYLEHMVSEL-GOEBONIOSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@H]21 2267483272 PZKWYWVBAGPKHK-JKSUJKDBSA-N 448.325 2.039 30 10 IEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267510890 SUIMYFNNBATAGU-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE C[C@H](NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268652352 GEHIYHBVBKOQII-RLFYNMQTSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268704872 CHTDLPBYQYTXTO-GOEBONIOSA-N 447.341 2.249 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268794661 AGXRCDIVBIOZLC-FMKPAKJESA-N 444.341 2.278 30 10 IEEE Cc1c(-c2nn(-c3ccccc3)cc2C=CC(=O)c2c(O)[nH]c(=O)sc2=O)cnn1C 2297124295 OCWSJNADSNGUBR-UHFFFAOYSA-N 435.465 2.293 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300341764 MKZWICACDQJZOU-STQMWFEESA-N 437.371 2.333 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)cc1 2329263698 BZFLMAMQDWLCJO-UHFFFAOYSA-N 427.486 2.051 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccn1 2330721860 GLTJNGXGZSRATE-UHFFFAOYSA-N 427.465 2.061 30 10 IEEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331565467 FEQZSCSZAVDOBN-UHFFFAOYSA-N 426.886 2.487 30 10 IEEE Cn1nc(I)cc1[C@H](O)C(=O)C#Cc1cccc(Br)c1 2360963017 GLKGSOZNAXVNFR-AWEZNQCLSA-N 445.054 2.441 30 10 IEEE COc1ccccc1[C@@H]1/C(=C(/O)c2c(C)nn(C)c2C)C(=O)C(=O)N1CCCN(C)C 102758494 VELKAUBCTFNVNE-GOBJLOIFSA-N 426.517 2.419 30 10 IEEE C[C@@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)n1cnc(C#N)n1 409777907 SCSNULPUTPBZOL-HXPMCKFVSA-N 445.451 2.298 30 10 IEEE N#CCC1(CNC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CC1 431045833 AYAZBCNGYGMSGJ-UHFFFAOYSA-N 426.908 2.411 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1Br 433871084 VGKXFCZSGUMPPJ-OAHLLOKOSA-N 428.352 2.196 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1Br 433879464 WGCKEMDDEQJACI-INIZCTEOSA-N 435.303 2.190 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1CCN(CC#N)CC1 464988640 SUCHSNGZHFSNJS-CQSZACIVSA-N 442.379 2.211 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(F)(F)F)c4ccccc43)CC2)o1 472329286 RKGNVIFKQUNWOH-UHFFFAOYSA-N 448.449 2.392 30 10 IEEE C[C@@H](C(=O)OC(C)(C)C)c1noc(CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 482541401 FZRVDRHAVJSYTR-IUODEOHRSA-N 425.445 2.444 30 10 IEEE Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489114919 KGDUIGBGDXPMNQ-UHFFFAOYSA-N 427.574 2.451 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H](S(=O)(=O)N(C)C)C3)c2C#N)C1 511120581 CAVPLKSBWKXZPN-HUUCEWRRSA-N 438.619 2.429 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C#N 515663158 HIOITMPCHFDZQF-UHFFFAOYSA-N 428.517 2.108 30 10 IEEE N#Cc1csc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1 517001769 SQWCMKOVALAWMX-UHFFFAOYSA-N 427.349 2.284 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)c1 523267449 ZAMZFKDQTVPPDU-KRWDZBQOSA-N 429.542 2.416 30 10 IEEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 549197974 AHDBGWJIWFUQGG-QGZVFWFLSA-N 430.936 2.308 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 549724675 YXGLONFEPULXML-ROUUACIJSA-N 425.537 2.049 30 10 IEEE Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@@H]2CCCO2)cn1 555389876 UVLDZEBDQVRTFT-NRFANRHFSA-N 432.532 2.051 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 566515915 VADOVJTVIRETQS-KRWDZBQOSA-N 439.969 2.477 30 10 IEEE CN(C)C(=O)C1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 603586635 HKMNAYCRAMACDX-UHFFFAOYSA-N 425.489 2.349 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCCN1CCN(c2ncccn2)CC1 609176065 AFVHTEMXSGCSKM-JOCHJYFZSA-N 436.560 2.470 30 10 IEEE COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1Cl 619569764 KODKPEKDMVYLEO-QGZVFWFLSA-N 425.876 2.069 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)CC1 680517564 NNXBRWKTYNNCLO-UHFFFAOYSA-N 433.603 2.155 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cc1C 730138682 DOPYCMHNJNDGDD-RTBURBONSA-N 432.590 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@H](C#N)C1 749520963 KZGFCRWUOQDROM-MSOLQXFVSA-N 428.489 2.389 30 10 IEEE CN1C(=O)C[C@H](NC(=O)NCCNc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 754842468 RNVSBRWEMDVQIL-LPHOPBHVSA-N 430.871 2.429 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 763597163 VVGISSGRHQCYMP-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE C#CCN(C(=O)Nc1cc(I)ccc1C)[C@@H]1CCS(=O)(=O)C1 775861154 RURWNQMZKCBXDY-CYBMUJFWSA-N 432.283 2.254 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790221059 DFZLMXFIGKWYCX-UWJYYQICSA-N 441.594 2.359 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 795244006 XQRACHJVASNBNC-QGZVFWFLSA-N 428.514 2.348 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2)c(F)c1 796722300 AFOWKEXHUDGOJV-UHFFFAOYSA-N 426.473 2.432 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)ccc1OC 799254503 XNHFTZYLCKXFKR-GOSISDBHSA-N 436.468 2.368 30 10 IEEE C[C@@H](NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(N2CCCC2=O)cc1 803597080 AKFGKPQQNFIICG-GOSISDBHSA-N 445.523 2.470 30 10 IEEE CCOC(=O)c1csc(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 814455418 WOPJSGDJXADUGY-AWEZNQCLSA-N 442.453 2.140 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1C(F)(F)F 856532501 LOBRIRWOGSTJGS-LSDHHAIUSA-N 438.431 2.116 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1O 1084014812 UZZDFJBXKJRYCB-UHFFFAOYSA-N 431.453 2.022 30 10 IEEE COCCCN(C(=O)c1cscc1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1124250345 BYPGTRJYRHIVII-UHFFFAOYSA-N 439.497 2.196 30 10 IEEE COC[C@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCCN1C(=O)OC(C)(C)C 1125383893 XKSYKAOXQAGBDC-QHCPKHFHSA-N 443.548 2.408 30 10 IEEE COc1cc(N2C[C@H](C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2=O)cc(OC)c1OC 1132648402 ZEBIAWKSBYEHRA-QZTJIDSGSA-N 435.480 2.221 30 10 IEEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCO1 1134267838 KFHCMPLWTPQLFT-QFIPXVFZSA-N 431.558 2.107 30 10 IEEE CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1Cc2ccccc2C1=O 1156591307 CWMLAARWTGMPAV-FGZHOGPDSA-N 430.508 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CC(F)(F)F)C(=O)C3)C2)C1 1157184744 FXIBRAGKJHJXOQ-SHYRYGCCSA-N 444.454 2.006 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(c3ccc(F)cc3C#N)CC2)CC1 1197041231 KCDGLLPZPPDGAN-GTPZEUEISA-N 433.524 2.055 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)c1 1208442381 GNRAYGSIZAAMPT-UHFFFAOYSA-N 431.901 2.147 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286303849 KHAXQKKCLKMXEN-LBNMDVIHSA-N 448.527 2.056 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC)C2)c1 1286310376 VTHZLZFCVIDUHJ-IBGZPJMESA-N 444.543 2.133 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286390580 AZUUFTCCRPFIKB-CABCVRRESA-N 434.484 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCOCC1 1286430756 JEOHNQCFRGPCTM-HSZRJFAPSA-N 433.556 2.125 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1286530108 GHJIYRLHBNCBRL-UHFFFAOYSA-N 436.358 2.409 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286612057 VDLWBMXGBAAKIX-XLIONFOSSA-N 446.621 2.383 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1286734836 XDJWPAHECOMMQM-DEOSSOPVSA-N 446.640 2.500 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286794972 CXYYCTSJCYCQQN-MSOLQXFVSA-N 439.516 2.232 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1286798419 HMRFTTQJGJUUFX-WMZOPIPTSA-N 429.546 2.389 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C 1286798524 ISISGHLWAAUUPM-FUHWJXTLSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)COCC)C1 1286810012 MVKPODLMMYVUKW-DLBZAZTESA-N 426.583 2.024 30 10 IEEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCn2cc(CO)nn2)c1 1290058896 HUDYIHCFBLBQJN-UHFFFAOYSA-N 436.520 2.080 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1291782301 CPQPJWPYDTWITJ-PXNSSMCTSA-N 428.537 2.325 30 10 IEEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1300341146 DGLAOCHBYSOBGV-LPHOPBHVSA-N 429.496 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1C[C@H](C)O[C@H](C)C1 1300522865 OPKSBJCNMOKBIY-KDURUIRLSA-N 435.528 2.246 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2N(C)CCCC2(C)C)n1 1300681659 XOOVCXGZDBFZJG-HXUWFJFHSA-N 427.597 2.444 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300765560 HBNFUINQOFZPSN-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1300850717 BKHMYFJFISQTJY-UHFFFAOYSA-N 428.356 2.043 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1301257539 ASIWVHQXLAYRHS-UHFFFAOYSA-N 439.568 2.073 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccco1)N1CCCC1 1301970558 GSPOBPRQEISHQI-QZTJIDSGSA-N 425.537 2.426 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1302790034 WMGGHBMFKZSBRY-NFBKMPQASA-N 441.532 2.395 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC(F)(F)CO1 1302955124 YSOMJIMNSNEAAR-QGZVFWFLSA-N 431.491 2.494 30 10 IEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1313452136 DPZWFGQJTZJFJT-FPOVZHCZSA-N 435.532 2.332 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(C#N)C1 1314551850 LNXQRFNONRRJJZ-LJQANCHMSA-N 436.607 2.390 30 10 IEEE Cn1cc(Nc2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1314907184 MQBRFHOPPYRAEQ-FMQUCBEESA-N 436.451 2.012 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N(CCC#N)CC2CC2)cc1 1316335027 FJSFSTCIVBENQL-GOSISDBHSA-N 429.546 2.364 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(CC)c2Br)c1 1357766946 JPMOOLKFYINRCR-UHFFFAOYSA-N 445.317 2.152 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358928344 AELOGKJGRHXFTN-PKOBYXMFSA-N 425.537 2.331 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCCOC)C1 1359097403 OONBCDHURVIZFK-HOJAQTOUSA-N 430.553 2.292 30 10 IEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1359117559 GXNJJFUMCSYPRW-BBWFWOEESA-N 431.541 2.082 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359302839 VOABDMHXWNGEKO-NRFANRHFSA-N 443.511 2.016 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCc2c(ccnc2O)C1 1359304995 PYUDNORNROLTJL-UHFFFAOYSA-N 448.527 2.385 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1359331407 XSXHEMZIMXBNDU-MRXNPFEDSA-N 429.546 2.500 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1359478132 NGMODDLPKIDAFG-QFBILLFUSA-N 426.521 2.241 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1360017438 FRANXUWNCFZMFY-QFIPXVFZSA-N 426.590 2.463 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1360338380 CLEZAVANGCGIDO-FHLIZLRMSA-N 429.443 2.185 30 10 IEEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)/C=C\c1ccc(F)cc1 1447996272 OIINKNSVCIKTOO-WTKPLQERSA-N 432.473 2.290 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@H]1C(F)(F)F 1460752451 SZKFZUKFMLNSAI-TZMCWYRMSA-N 440.426 2.442 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C1CCOCC1 1464127264 WZJAFRKRFXHLLP-KRWDZBQOSA-N 448.994 2.077 30 10 IEEE CN1CCN(C(=O)CC2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)CC1 1464958467 SHJYZHZCGJBISA-UHFFFAOYSA-N 447.377 2.266 30 10 IEEE C#CCN(C(=O)[C@H]1CCc2nnc(O)n2C1)[C@H]1CCOc2ccc(Br)cc21 1465180052 VAIYPZUKZSLWCA-WFASDCNBSA-N 431.290 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)CC1 1471142870 DCPWSTSPQVNIRT-NHCUHLMSSA-N 439.560 2.362 30 10 IEEE N#Cc1cc(F)c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1Br 1472739372 AEESVJNJHXJXSW-ZDUSSCGKSA-N 432.315 2.091 30 10 IEEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1492704677 KDRWXXVONGWSII-KRWDZBQOSA-N 432.532 2.469 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CC#N 1503275585 YIXALNXWCHOXRH-ZDUSSCGKSA-N 425.946 2.061 30 10 IEEE COc1ccc(OCCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1504312699 MMQYYCDVMUWHHH-QFIPXVFZSA-N 442.495 2.320 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507634339 MVSRNHHPLBHRHX-FQEVSTJZSA-N 435.638 2.225 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCC1(F)F 1507710707 JWJCDJHPCCSFIM-HZPDHXFCSA-N 430.521 2.092 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1507757377 STCKHZNEQROTFW-JOCHJYFZSA-N 441.557 2.091 30 10 IEEE C#CCSCCn1c(N2CCN(CC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507758020 GKIFIPCHHWABRW-QFIPXVFZSA-N 435.638 2.463 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507784987 NRFXJFASCDQSHN-UKRRQHHQSA-N 439.358 2.121 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCC)nc2)CC1 1507881572 OIOYNIVHFZPDSZ-MRXNPFEDSA-N 434.566 2.277 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1507935338 PNJSCXIHFUVNJK-GOSISDBHSA-N 439.626 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1508147412 JXVPUHFLDVVXKB-WKRCXCSHSA-N 438.594 2.372 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508168605 XOJKSPJJCZCZEK-OALUTQOASA-N 432.594 2.443 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCCC1=O 1519276313 HZEOHYMIKCMGCV-DYESRHJHSA-N 436.532 2.237 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](OC)[C@@H]1CCOC1 1528300336 FZNDNDMLMULLLJ-CJNGLKHVSA-N 427.295 2.266 30 10 IEEE Cc1nn(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1C#N 1531533453 BGBYIENUIIPIBK-UHFFFAOYSA-N 439.900 2.432 30 10 IEEE C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(S(C)(=O)=O)cc1 1535625232 AFEMZTYKPHXVHX-MAUKXSAKSA-N 425.510 2.235 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCC#C)CC1 1539077584 FXRWNELQSOXTSV-UHFFFAOYSA-N 443.555 2.286 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539101857 KUNDUUPYHZRVOR-UHFFFAOYSA-N 440.573 2.480 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)C(C)C 1539567551 ZPLJZIGTKGZIAD-JOCHJYFZSA-N 442.589 2.424 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539722219 CNSRKDKTYADPIL-JOCHJYFZSA-N 427.553 2.320 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1540917362 ULROXRYXFMZLLZ-DLBZAZTESA-N 428.624 2.351 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 1544486785 MAEWYOQPTYXNNL-HJCTWCACSA-N 439.468 2.274 30 10 IEEE CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)Cc2ccc(C#N)nc2)CC1 1544727804 KUQMYZHWCVIAGO-UHFFFAOYSA-N 426.542 2.374 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)C1 1557240396 JXOZHVMLEBKOGV-GOSISDBHSA-N 430.505 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@H]1[C@H]1CCCO1 1557941726 VVESQSGEXLXXDB-OJAHFUOMSA-N 432.565 2.380 30 10 IEEE Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C#N)CO)c2)c1 1569055298 PVBAMWMHJBHYSB-ZDUSSCGKSA-N 438.303 2.173 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cccc(Cc3nn[nH]n3)c2)C1 1570108754 ICHXWLWZZKUIFW-UHFFFAOYSA-N 438.289 2.500 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CCC)C1 1587615446 VECLQBMFDXTDJP-MSOLQXFVSA-N 443.621 2.428 30 10 IEEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1587965542 INMLAWBWNQOSII-ZIFCJYIRSA-N 440.548 2.377 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C(=O)NCC)CCC2)CC1 1588763509 YJXSOHZZBRYFRK-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2)CC1 1594241166 IBKACTFFNUJJHP-HXUWFJFHSA-N 445.589 2.370 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1594963586 VDECCXNXSOWHQN-SFHVURJKSA-N 447.630 2.404 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1595020269 BUDWRNCDJPTOSJ-SFHVURJKSA-N 438.580 2.106 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1595297320 OTHZAGINWPNKAK-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1595593886 JQZUNCTVTNHEHF-MRXNPFEDSA-N 429.521 2.172 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCN3CCCC3=O)C[C@@H]1C)C2=O 1615243319 AWTBFKCVPLJOGH-YTEVENLXSA-N 448.903 2.376 30 10 IEEE COc1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1OC 1617336564 CXSWIQMFIZLWNR-GOSISDBHSA-N 436.468 2.405 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccc(F)cc2)C1 1620348446 VORJUACGCOKBGK-NRFANRHFSA-N 430.459 2.451 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)ccc1OC 1621785492 AJIRAXRJOOEPBA-LBPRGKRZSA-N 435.433 2.428 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(c4ncc(Br)cn4)C3)CC2=O)cc1 1632756863 KRJSICIUODUZDA-CYBMUJFWSA-N 426.274 2.090 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)s1 1636829118 QPZONYXHODOJRG-GFCCVEGCSA-N 426.482 2.323 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1637585594 DGKLKJIKJQDRIA-HNNXBMFYSA-N 433.875 2.036 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@@H]1CCOC1 1645665019 UIUYEMKCHGUAMN-OAHLLOKOSA-N 431.518 2.082 30 10 IEEE Cn1c(N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c(C#N)c(=O)n(C)c1=O 1652277628 OVURHTUNSPAXRR-MRXNPFEDSA-N 431.537 2.010 30 10 IEEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1663714920 HJHZDKGFMWQUES-UHFFFAOYSA-N 447.488 2.394 30 10 IEEE C#CCN(C)CCCNC(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1678174596 RUZYQVAMMCYPJF-QFIPXVFZSA-N 443.569 2.442 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3ccnn3-c3ccccc3)C2=O)cc1 1682022112 TUXIIQNPPXVSMD-JOCHJYFZSA-N 428.496 2.387 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)c(F)c1 1683593958 FLQDKHIXMYWNNS-UHFFFAOYSA-N 427.436 2.019 30 10 IEEE CC(C)O[C@@]1(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1 1685338142 JCDUWXBQJWYDMV-OAQYLSRUSA-N 429.477 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1csc(CC)n1 1690039499 IHJOYICVAOEPPE-UHFFFAOYSA-N 443.540 2.451 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 1690183280 RYODUFHFPFDAEW-UHFFFAOYSA-N 432.638 2.325 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1690262831 PVEFALZYBOJSRO-UHFFFAOYSA-N 447.590 2.486 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1690337143 FHWZHNQQHKJKAI-UHFFFAOYSA-N 449.939 2.446 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CC 1690559886 LXBAGYJIWGZYDV-UGKGYDQZSA-N 443.573 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCCN2CCCC2)CC1 1690663600 BFTZHJVSUNESID-UHFFFAOYSA-N 442.564 2.230 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](SCC)C1 1690669315 ANEDGLBKDFOSKJ-HNNXBMFYSA-N 446.577 2.420 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1690689749 KVSOHZNWFPMUAI-HXUWFJFHSA-N 441.557 2.423 30 10 IEEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1692420593 CSFAKSMWJQYBAG-GBESFXJTSA-N 436.626 2.144 30 10 IEEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1692611598 LLKZQWBTXZRDQY-UHFFFAOYSA-N 433.516 2.288 30 10 IEEE CCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695053131 VIKKHVUSDXLZMC-QRQCRPRQSA-N 426.521 2.258 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1C[C@H](F)C1 1696653573 BLJKNTBHQRDDRO-UAPYVXQJSA-N 426.496 2.250 30 10 IEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1696722200 GLYPDOQPSPELFU-UHFFFAOYSA-N 446.558 2.256 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1697835996 SFDVHCAJJBENCN-OAQYLSRUSA-N 442.451 2.490 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1697911918 LMACALQRIBIKLH-ROUUACIJSA-N 449.458 2.005 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1nnnn1CC1CC1 1705506140 RRTKRAKUBRPAGA-OAHLLOKOSA-N 438.561 2.482 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccccc1CC 1705532409 NGYQRNIDSNEJGL-GOSISDBHSA-N 443.573 2.231 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1705563948 IHRJGXNQRXTDRH-HXUWFJFHSA-N 441.557 2.260 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567168 VFKUTYINSOFRJE-JKSUJKDBSA-N 433.603 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705579558 NCRZURPTTPVPDS-GOSISDBHSA-N 434.466 2.010 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1 1705598417 JIQCCFMWEBIAGA-IBGZPJMESA-N 426.542 2.031 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1705598711 PHYNXYWZOHOGEH-UXHICEINSA-N 437.569 2.158 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C)c2)n1 1705631447 FTMKGWOQXDYHOG-NRFANRHFSA-N 447.543 2.069 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](OC)C(C)(C)C)CC1 1705642293 OFSSQIXFMUIOPP-GOSISDBHSA-N 444.605 2.086 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1705643027 QCIUKVRKAYKGOQ-LJQANCHMSA-N 438.576 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C)cc(OC)c2)CC1 1705649036 HZPGCSLLUGHRQX-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)CC1 1705769640 YSOOGGJEAYZGRH-LJQANCHMSA-N 447.561 2.275 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1705819830 VLAKCZKKDYKFCX-INIZCTEOSA-N 434.541 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705898256 GTHPVRVVPVEHDN-WMZOPIPTSA-N 436.516 2.036 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1705912908 YHJWLAXMUZBPDZ-AEFFLSMTSA-N 449.577 2.117 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1712875582 FRVOLPYZZVXVPT-XMSQKQJNSA-N 442.495 2.487 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1c(C)nn(-c2ccccc2)c1C 1722371627 YVLZDQVLIMUZSC-UHFFFAOYSA-N 429.528 2.340 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722405756 QBIGGWZTBFIGFW-JOCHJYFZSA-N 446.573 2.036 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1722739488 WDTPNOUZXAUUNI-MSOLQXFVSA-N 439.651 2.164 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 1722862725 DWVSYYAJUCVVNA-ACJLOTCBSA-N 437.342 2.447 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 1729765025 HPNVBIHQCQLQLK-QGZVFWFLSA-N 436.447 2.429 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1730670604 HKWFYVLKFWKQLS-GOSISDBHSA-N 440.504 2.186 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 1740573801 HQMPMVJJCPEJQY-HXUWFJFHSA-N 445.589 2.441 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCCC2)nc1 1740630601 CNOINGHLRYYZTF-RUZDIDTESA-N 448.571 2.435 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(COC(C)(C)C)on1 1740632852 PXFROFKJFGFPTK-QHCPKHFHSA-N 441.532 2.354 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccco1 1740671075 YYTVDYFLCYQRDL-QHCPKHFHSA-N 435.532 2.412 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CC[C@@H](F)C2)n1 1740688388 FPLZFPBITMSXFA-IPMKNSEASA-N 430.528 2.403 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2ccco2)CC1 1740699289 ANYPOJRCBGOVRL-DEOSSOPVSA-N 435.528 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(N(C)C)CCSC2)CC1 1740705085 AOKACHIAVCCJSC-HSZRJFAPSA-N 446.665 2.270 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740751715 NZLWBBZMJMYSRX-OPYAIIAOSA-N 430.597 2.173 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCC)CC1 1740757386 VTBBZUBINLVNCS-GHTZIAJQSA-N 442.564 2.086 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccco2)CC1 1740824373 KHKYHFWCQCKQEE-JOCHJYFZSA-N 429.521 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2COCCO2)C1 1740978596 YWKUQOHMXWJKGJ-QZTJIDSGSA-N 430.505 2.159 30 10 IEEE CC(C)NC(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1741691809 QNNGZWYLWGCRLQ-YADHBBJMSA-N 432.569 2.363 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748808890 IBMZDAGGFFQBJT-HYVNUMGLSA-N 449.964 2.045 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(CCCCC2)O1 1748845878 BLPGAKDKPNVGDQ-RTBURBONSA-N 430.574 2.135 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN(C)C(C)C 1748949818 CGWIJIVOGZKHQQ-UHFFFAOYSA-N 437.386 2.472 30 10 IEEE C=C(C)COCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1749240992 BHEMSDNMHLWWFJ-QAPCUYQASA-N 434.459 2.290 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCCC1 1749475749 NLNJGUPDOKCTRU-UHFFFAOYSA-N 435.536 2.336 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cc1 1749686471 UYEPUBBIRODALJ-KPFFTGBYSA-N 446.573 2.000 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](COC)C1 1749688954 APERODMHRJUOKH-SFHVURJKSA-N 425.533 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)c1ccccc1 1760118440 DVUSNCBDDRNQKJ-SFHVURJKSA-N 448.552 2.448 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184563 JZIYKVLMMOYEOP-SFHVURJKSA-N 443.573 2.174 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760235946 BUABNSAPASHYSN-GOSISDBHSA-N 436.482 2.377 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([S@](C)=O)CC1 1760244476 WYDKJLQRRSYVRT-SANMLTNESA-N 440.367 2.033 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2ccccc21 1760248900 FOVKBJDPJUFTHG-UXHICEINSA-N 442.585 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@H](C)N2CCCCC2)CC1 1760273581 ZAUFDRWHEZAMBZ-IBGZPJMESA-N 430.597 2.045 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760376471 QSGXWVORYCNEFK-CYBMUJFWSA-N 445.923 2.418 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1760516556 QHTAKKSYOVMHEM-HNNXBMFYSA-N 446.527 2.210 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760518411 UHQAFEBRPZAZKC-IBGZPJMESA-N 444.967 2.202 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(N)=O)CCOCC2)C1 1760537407 NJISCWYGLCEQFO-IBGZPJMESA-N 441.532 2.017 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760553324 APRIKJGCEMTTLO-ROUUACIJSA-N 432.594 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(c2nccs2)CC1 1760555522 HJRBBMCWEZXWIZ-MRXNPFEDSA-N 437.591 2.223 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760565729 DCWBUBPERVXXLJ-QZTJIDSGSA-N 440.635 2.352 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CC1 1765560021 NQDCSNWBTONHEI-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE CCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1766590728 CJIJLVGCRAYBOA-SJORKVTESA-N 434.541 2.158 30 10 IEEE CCNC(=O)c1cccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OCC)CCOC2)c1 1767209517 IDXOQRJPEHOVTR-HXOBKFHXSA-N 440.548 2.467 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCSC)CCOC1 1767473931 SDLFFXSWAAWQKA-GHTZIAJQSA-N 434.610 2.250 30 10 IEEE CNC(=O)c1ccn([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCOC)C2)n1 1767648004 DHYJBEMMOVMLME-IBGZPJMESA-N 448.531 2.251 30 10 IEEE N#Cc1n[nH]c2c1CN(C(=O)c1ccc(S(=O)(=O)N3CCc4ccccc43)cc1)CC2 1849598580 UBZBKIGDIGPYJI-UHFFFAOYSA-N 433.493 2.231 30 10 IEEE Cn1ccnc(N2CCC[C@@H](NC(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)C2)c1=O 1851420149 QVJHOPLYCIVJSR-MOPGFXCFSA-N 428.496 2.230 30 10 IEEE N#Cc1ccc(F)c(C(=O)O[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c1F 1852528659 RJLMSKYXLDQRPU-NVXWUHKLSA-N 425.391 2.005 30 10 IEEE CON=C(CN1CCC2(CC1)NC(=O)N(C)C2=O)c1sc(-c2ccccc2)nc1C 1853318108 GNYJXGLUENKXLM-UHFFFAOYSA-N 427.530 2.485 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CSCc2ccccc2)C1)[C@@H]1CCN(C)C1=O 1857056406 MTCZSTMXAMYLOQ-WOJBJXKFSA-N 429.586 2.404 30 10 IEEE C[C@@H]1CC(=O)N(C(=O)COc2ccccc2F)c2ccccc2N1S(=O)(=O)CC#N 1857463475 UVOPBWNXHARGTH-CQSZACIVSA-N 431.445 2.216 30 10 IEEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863336994 SYNZVVJXBNYMJZ-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870605274 WVCMWXASYHWFOB-UHFFFAOYSA-N 425.529 2.362 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCOCC)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871530886 QXNUXSBVZREIAP-UHFFFAOYSA-N 425.537 2.434 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCC[C@H](C)C2)nc1C 1872678847 NYULDDHSXAOEHG-NSHDSACASA-N 449.489 2.067 30 10 IEEE CC(C)OCCCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872707550 WWGLNANVSJEDPA-UHFFFAOYSA-N 433.490 2.054 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cs1 1890033805 LAXIROOMZLIWKU-UHFFFAOYSA-N 437.529 2.394 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccnc1I 1985073944 ZWYYOXVSBXGMEU-JTQLQIEISA-N 430.246 2.326 30 10 IEEE C=CCC1(NC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)CN(C(=O)OC(C)(C)C)C1 1990036416 XXJXSVVBQDHEQN-UHFFFAOYSA-N 425.526 2.086 30 10 IEEE O=C(N[C@@H](CS)C(=O)O)c1cc(Br)ccc1I 1995691609 PDJPRTPAWMSZMJ-QMMMGPOBSA-N 430.061 2.167 30 10 IEEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cc(Cl)ccc3Cl)s[nH]2)OC1(C)C 2166422750 MCEGAHRDSTZGSO-UHFFFAOYSA-N 436.151 2.367 30 10 IEEE N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 2174787587 VSSWXKAUNIKUBO-SFHVURJKSA-N 433.461 2.013 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247861891 QWYOECFAEVXLKY-UHFFFAOYSA-N 429.273 2.204 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2247962513 OJVYCXMZOWVTRV-JKSUJKDBSA-N 442.387 2.445 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC[C@H]1CO 2255378072 VIQKTOAKOFUARJ-HOTGVXAUSA-N 433.358 2.093 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2255698719 SAVSXKFYNREKFO-RCDICMHDSA-N 431.342 2.064 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)ccc2F)OC1(C)C 2256905999 OHLAMYOLEKQGLS-UHFFFAOYSA-N 449.309 2.400 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267127498 JKQDAUCBLBUMNB-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2267486043 KDXOXKNFUYJZGF-LEWJYISDSA-N 438.333 2.485 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267492593 UQVLBMROPYHZFV-CABCVRRESA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2267520555 OALFTVOMOAVJIV-PEBXRYMYSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267587107 SYDLIXXQLATDPE-RYQLBKOJSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267620960 PWGMCMVQCGWKLE-ROUUACIJSA-N 446.353 2.398 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879436 HLCXNAUCCUZHFQ-CABCVRRESA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@@H](N)C#Cc2cccc(Br)c2)C1 2278791140 WYXQVVVWBRWCQR-JKSUJKDBSA-N 443.363 2.162 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2COCCN2C(=O)OC(C)(C)C)[nH]1 2315389672 FTMMVWKLRRDENT-KRWDZBQOSA-N 433.358 2.159 30 10 IEEE CCCNC(=O)CSc1nnc(C2CC2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331735409 QFZZBMUSDDDPET-UHFFFAOYSA-N 446.489 2.335 30 10 IEEE C=CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337195049 UBYCZGQFZFMDFN-UHFFFAOYSA-N 446.357 2.015 30 10 IEEE COc1nc(N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788658 SJIGEJWCEAGVSU-JOCHJYFZSA-N 449.357 2.173 30 10 IEEE CC(C)(C#C[C@@H](N)[C@H](O)c1cc(Br)c(Br)s1)S(C)(=O)=O 2365212418 RNNQWQRHRUKZRL-SCZZXKLOSA-N 445.198 2.460 30 10 IEEE C#Cc1cc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)ccc1OC 2370298373 YJQHGNWRVVJXST-OAQYLSRUSA-N 430.457 2.443 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)n(C2CCCCC2)c1C 16621939 LSDUMHGJQDHHLB-UHFFFAOYSA-N 443.504 2.294 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 109936509 HTIONSMWWCJNCA-LJQANCHMSA-N 441.557 2.326 30 10 IEEE O=C(O)CCc1nnc(S)n(/N=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)c1=O 169883696 PGSAQAVDLYRKIJ-JJFYIABZSA-N 442.428 2.185 30 10 IEEE CCOc1ccc(C=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1 254380857 MEKFYSVJEATGOT-UHFFFAOYSA-N 432.484 2.327 30 10 IEEE COc1cccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2Cc2ccc(F)cc2)c1O 254479917 OLZFEWCLMIDTER-UHFFFAOYSA-N 438.419 2.183 30 10 IEEE CCn1c(=C(C#N)C(=O)Nc2ccc(C)cc2)sc(=Cc2ccc(N(C)C)cc2)c1=O 254528945 SNSXJZSFCVMENQ-UHFFFAOYSA-N 432.549 2.446 30 10 IEEE COc1cccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254760542 UJLKFFCRCPIVFG-QZTJIDSGSA-N 432.523 2.376 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2cnc(N3CCOCC3)c(F)c2)ccc1C(F)(F)F 409504170 UTLZTSVLNVLAIX-UHFFFAOYSA-N 444.410 2.426 30 10 IEEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCC1CCC(C#N)CC1 442738600 OTWYAQPBLQKKQL-SOAGJPPSSA-N 430.549 2.204 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ncoc2-c2ccc(F)cc2)CC1 471366051 KABDSIGQGRCYHJ-UHFFFAOYSA-N 440.456 2.499 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)ccc1F 478955581 FNYARTXLRHYDAV-UHFFFAOYSA-N 436.553 2.090 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CC=C(c3ccnn3C)CC2)c(C#N)cn1CCOC 480102544 FKJVJPGXZUVXQA-UHFFFAOYSA-N 426.477 2.238 30 10 IEEE CS(=O)(=O)NCC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 480324282 AFIRJKIOEOUGEH-UHFFFAOYSA-N 436.925 2.190 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481067383 BALMGTSLKBTMOT-LIRRHRJNSA-N 444.488 2.434 30 10 IEEE CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cs1 482450138 LUWLFKSYNAGOMQ-KGLIPLIRSA-N 436.559 2.438 30 10 IEEE N#Cc1cn(CC(=O)NC2CCN(C3CC3)CC2)c2ccc(Br)cc2c1=O 502820392 XZWHRTPGUQEPKJ-UHFFFAOYSA-N 429.318 2.379 30 10 IEEE C=CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 506128320 CXYQDSSCYUPKGQ-UHFFFAOYSA-N 428.514 2.340 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 508838802 AFDMCSIKIZWFKW-HJPURHCSSA-N 436.516 2.152 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)nc3ccc(Br)cc23)CC1 509470356 FHTJDCOBSOLPSF-UHFFFAOYSA-N 431.334 2.366 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 511780860 YHOBVTWEBLTKGI-NRFANRHFSA-N 442.523 2.310 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1[C@@H](C)C1CC1 539599231 HQNIRGHJEPJZGN-INIZCTEOSA-N 427.530 2.181 30 10 IEEE C=C(C)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 549726473 WIDUACQZEYPYGC-UHFFFAOYSA-N 446.533 2.226 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCCC(=O)NC)CC1 555240595 ACNGHCHIUJXGFN-UHFFFAOYSA-N 427.505 2.371 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)CC1 558130858 PNWPRIMJYWYLPG-HOTGVXAUSA-N 442.486 2.394 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C1=O 561534779 WJJDJLOVCGAEIB-SJLPKXTDSA-N 445.497 2.113 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1C(=O)OC(C)C 564314478 WGRJVBWVCXQVGB-UHFFFAOYSA-N 428.514 2.338 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(c3cnccc3C#N)CC2)nc1C 567049561 JDZZGROXNNDLIN-AWEZNQCLSA-N 428.518 2.488 30 10 IEEE Cc1ncc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1C#N 567283501 LXCHSLDIOBBKAO-NRFANRHFSA-N 440.569 2.469 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3ccccc3C#N)c2=O)n1 574132211 SLYOVQZQXCSEDJ-UHFFFAOYSA-N 444.516 2.293 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N(C)C[C@@H](C)C#N 576055646 APPKRODXTNIGAQ-KRWDZBQOSA-N 444.561 2.138 30 10 IEEE CCCC[C@]1(c2ccccc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 577415092 QNJMTZDOUUBVKI-OAQYLSRUSA-N 426.498 2.364 30 10 IEEE CNC(=O)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 582619509 QFTUKPCYSRWWST-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 609189185 YGVSZOXYUUOWRJ-YJBOKZPZSA-N 431.489 2.434 30 10 IEEE COc1ncccc1CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 726105951 FZZAVFKXAGLLLL-FGGSVNHKSA-N 439.541 2.197 30 10 IEEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 726178293 BBQLVCLVIZYFAU-UHFFFAOYSA-N 449.916 2.236 30 10 IEEE Cc1cccc(NC(=O)[C@@H]2CCCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)n1 726585630 HCHLBBWKXSGORK-HXUWFJFHSA-N 446.511 2.334 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416722 ZMJUTQWJIFLMDM-UHFFFAOYSA-N 436.489 2.381 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C 733198378 WYBBJYFMIYMRQF-PBHICJAKSA-N 437.587 2.418 30 10 IEEE CC(C)CN(C(=O)CON=Cc1c(Cl)nc2ccccn12)[C@@H]1CCS(=O)(=O)C1 736610977 TYMWABMBAJNSQM-CQSZACIVSA-N 426.926 2.010 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)n1 749207525 HWZOZYXNHCFOOM-UHFFFAOYSA-N 431.547 2.350 30 10 IEEE CN(C(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C1(C#N)CCCCC1 749288295 DDGDGIDROKDVNU-OAHLLOKOSA-N 439.559 2.129 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1OC 752624309 VGSFGKXODQMVCN-KSSFIOAISA-N 431.514 2.439 30 10 IEEE C#CC[C@H](NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)c1ccccc1 757064167 GXLMPFYQHGTRES-IBGZPJMESA-N 426.542 2.191 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CCCC)c2=O)cn1 772280092 YBYRZJNLUZNOJY-UHFFFAOYSA-N 434.521 2.401 30 10 IEEE C[C@@H]1COCC[C@H]1C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 774056732 YEQZXOYWTFTDQD-LZQZEXGQSA-N 433.530 2.181 30 10 IEEE Cc1ncc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)n1 777303871 HWDIUJLRSVMDRV-SFHVURJKSA-N 441.513 2.229 30 10 IEEE COC[C@@H](CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1)OC 781104144 MJVMYKZGCNSVOQ-HZPDHXFCSA-N 447.492 2.237 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(Br)cc2)sc(=Cc2ccco2)c1=O 788529634 PLQFJDIFPYKZIN-UHFFFAOYSA-N 439.290 2.284 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 793572241 JEYLIRFJSVUUBL-UHFFFAOYSA-N 426.542 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)c2ccc(C#N)nc2)C(F)(F)F)CC1 801086082 HMBUYJNXZKDSML-HNNXBMFYSA-N 427.427 2.167 30 10 IEEE CCN1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 801670260 CXPUNOHUQPVHCT-XBYUIDQRSA-N 435.550 2.022 30 10 IEEE CCOCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802614386 ATISMOYBSZAOMT-WIYYLYMNSA-N 438.532 2.394 30 10 IEEE C=C(C)CN(CC)C(=O)COC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 804386720 HYZVNOPGPLQTRE-UHFFFAOYSA-N 437.290 2.403 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 809893912 WAHWMYLXEUXNEY-QGZVFWFLSA-N 448.568 2.125 30 10 IEEE CCc1noc(C[C@]2(O)CCCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)n1 856674463 LGLVYOPARJJUOB-UZUQRXQVSA-N 441.532 2.345 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 915610901 GENMSNFXJLOLTJ-AWEZNQCLSA-N 437.543 2.013 30 10 IEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccccc3OC)n[nH]2)cn1 1084157621 YZVGUTURCLPTQR-UHFFFAOYSA-N 444.521 2.223 30 10 IEEE CCCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)NCC)cc2)n[nH]1 1084371933 GIWHWNLHZJWEHZ-UHFFFAOYSA-N 439.567 2.422 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)c3ccc(OC)cc3)n2N)cc1 1084386945 JBGBYCZYNQSEJL-UHFFFAOYSA-N 440.485 2.208 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC2)CCN1C1CC1 1118981027 BRLWDURNODVPOS-CJNGLKHVSA-N 446.353 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cc(C#N)c(F)cc2F)C1 1132690348 XQECIURXSKHDNW-CWTRNNRKSA-N 441.456 2.057 30 10 IEEE N#Cc1c(CCCNC(=O)c2cnn(-c3ccncc3)c2)nn(-c2ccc(F)cc2)c1N 1136199461 AIZZLAOFWYAWQW-UHFFFAOYSA-N 430.447 2.409 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)c1 1156373720 XFJZIWQQANWVPM-UHFFFAOYSA-N 438.509 2.028 30 10 IEEE N#Cc1cn(C2CN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)C2)c(=O)nc1O 1180989074 HZXMBELTKKVNSU-UHFFFAOYSA-N 425.832 2.145 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1c(C(F)(F)F)nn(C)c1Cl 1219819241 GWGSIJQMCFGUPX-VIFPVBQESA-N 428.806 2.497 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1276788817 KEHLNXFQCRKRKI-YBOAYWMSSA-N 447.557 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1286282969 RBDOJQUBTGILTO-ROUUACIJSA-N 432.528 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1286283510 VPDMGXPDYHWISJ-LBPRGKRZSA-N 425.411 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(COC)CCOCC2)CC1 1286487321 UMFLOVQQWNYFFU-SFHVURJKSA-N 431.581 2.201 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C/C=C/c2ccccc2)CC1 1286490888 WBOAGQWWQYFDPY-RMKNXTFCSA-N 427.512 2.414 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286596071 RCADEKXQIHURNH-CALCHBBNSA-N 430.553 2.280 30 10 IEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1286692915 JHFPRBONMPGDMA-UHFFFAOYSA-N 430.532 2.418 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2c(ccnc2O)C1 1286792329 UTDCFCGPQGBUAR-UHFFFAOYSA-N 434.500 2.131 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)C1 1286801362 XZNLIQLSVVXSSO-JKSUJKDBSA-N 438.525 2.383 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CC(OCC)C2)C1 1286810351 PTRCSKCHPMWRNF-IAFLDTSXSA-N 438.594 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCS[C@@H](C)C1 1286822004 FZMMAFOMOVCGAG-KRWDZBQOSA-N 436.603 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)CC1CC(F)(F)C1 1286822654 MNZGDSDTDNALIN-UHFFFAOYSA-N 425.505 2.346 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)s1 1296332864 DCWSPBHDANNVEZ-FXAWDEMLSA-N 438.546 2.176 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4nc(O)n[nH]4)C3)C2)C1 1297025571 WBFVBGCKOOGFDP-XVRRPWEDSA-N 430.509 2.003 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1299332666 ABCUOBHHGHWYTG-ZOKDDAQRSA-N 427.530 2.117 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C1CC1 1300283561 NMYFZIGZTHIUCU-SJORKVTESA-N 444.605 2.136 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(OC)C1CC1 1300284237 QQBFCPXOZCJZLP-KSFYIVLOSA-N 445.589 2.468 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1300371367 RCFUUQLORONKMR-QHCPKHFHSA-N 425.508 2.441 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC(C)C 1300439044 YUMRVXLMKDYODM-UHFFFAOYSA-N 426.546 2.199 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1300487464 JSYXLGLBIKWZGQ-GOSISDBHSA-N 447.605 2.363 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)N1CCOCC1 1300520367 INLKVDIHDZYBKD-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 1300709737 DBWCDUNJBDFDNB-UHFFFAOYSA-N 442.980 2.156 30 10 IEEE C#CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1300777822 DJNIDEHYMYHDKJ-OCCSQVGLSA-N 442.517 2.067 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCCOC)CC1 1300892395 RQWFXCXLPWNZHF-CTNGQTDRSA-N 431.581 2.191 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 1300981204 UTZBSOIIKHMWHN-UHFFFAOYSA-N 440.953 2.435 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)c1cc(OC)cc(OC)c1 1301017275 IEFGWYWYFGFZSS-GFCCVEGCSA-N 429.930 2.426 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N2CCOCC2)CC1 1301134831 AIVRVTNEZKCIFN-UYAOXDASSA-N 431.581 2.458 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1301166121 PWKMBJVIYBRYAK-FQEVSTJZSA-N 449.559 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301483680 UCBRESWLKZMCNR-SJORKVTESA-N 441.532 2.127 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1301542469 OHLNUZMMFNNYGO-IBGZPJMESA-N 429.484 2.140 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1301615922 YKESSUWEZOWFGT-UHFFFAOYSA-N 430.578 2.258 30 10 IEEE COCCn1cc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@@H](C)CC#N)cn1 1301852669 CWHWCLHOWWVKDW-KRWDZBQOSA-N 433.520 2.146 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1303000893 KWGZXRVOLNFQTM-DLBZAZTESA-N 442.486 2.175 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCCCC2)CCOC1 1303489742 NTJHEXBLXXYASB-QHCPKHFHSA-N 444.580 2.461 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H](C)S1 1305204528 APYGIUZWIIRREQ-GASCZTMLSA-N 435.575 2.104 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(Br)cc1C 1309079187 JJHPEZDNYDNHHW-LLVKDONJSA-N 440.768 2.222 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCSC1(C)C 1314874270 YAGPATNYGOAZOL-QGZVFWFLSA-N 448.618 2.334 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1316465951 MTASWYNJJZFPTO-UHFFFAOYSA-N 428.562 2.288 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCOC2)cc1OC 1335739239 JUEIIEZOBXSYQQ-APWZRJJASA-N 438.532 2.175 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1358891837 NKRHQDKKNQHECU-OALUTQOASA-N 444.580 2.306 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1358899473 NXAOJYXIEQBLIT-OAHLLOKOSA-N 439.545 2.248 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1358910954 GSQHCXFAGVZWFU-GJZGRUSLSA-N 435.550 2.067 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COc2ccccc2)C1 1358920365 XSUDWLQBYJMJEY-ROUUACIJSA-N 431.562 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(CC)(CC)SC)CC1 1359044816 PEEFPPYGMYMBTF-KRWDZBQOSA-N 446.621 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1359318992 QJKNWXFJQPKZJR-DOTOQJQBSA-N 439.486 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCC)C1 1359329741 SIHSACZXYDPXTC-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1360469955 JTGHQSVSSBJJGJ-WMLDXEAASA-N 447.521 2.016 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 1442881241 OYTNHPIONVVPOI-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Br)cc1C#N)C1CCCC1 1451217456 FUNOEEWJRBHAGG-INIZCTEOSA-N 443.367 2.005 30 10 IEEE C#CC1(F)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCCC)C1 1455266779 HEHFSKWKRSCTRX-UHFFFAOYSA-N 434.537 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)CSCc3ccc(C#N)cc3)CC2=O)C1 1456818031 BGJDPRWGFUPIFU-QGZVFWFLSA-N 444.557 2.128 30 10 IEEE Cc1cccc(C(=O)NCCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)c1 1492478393 LDLCSTUTDDOMJO-INIZCTEOSA-N 449.515 2.340 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@@H]2C)c1 1504115126 BCKXOWGVIFAFFU-IRXDYDNUSA-N 428.537 2.279 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)C1 1505124525 VWVFDCNSUCOJDK-IBGZPJMESA-N 429.546 2.257 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCC(C)C 1507647379 CXVPSMBCHAYIBD-RUZDIDTESA-N 446.555 2.452 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507790722 COUPASBYZBQWNK-DLBZAZTESA-N 439.402 2.254 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1507814871 FCPIIEIAFZTFRF-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1507916690 TXBIZKSYDZTOEZ-OAHLLOKOSA-N 449.543 2.467 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1COC(C)(C)OC1 1508085476 HUHTVAUPPCHMAW-UHFFFAOYSA-N 449.502 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508135655 KPYBOPWHPKFFEQ-PMACEKPBSA-N 446.573 2.239 30 10 IEEE CC(=O)N1CCC(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1508207101 MACVGPYCMCGEJV-FGZHOGPDSA-N 448.543 2.019 30 10 IEEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508392829 UTRWZXZWDZDOQV-NRFANRHFSA-N 431.500 2.316 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCC[C@@H]1C 1509686324 WETHXOBJDUGAEI-HKUYNNGSSA-N 436.564 2.446 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1516063830 PJCVRUZGDRJPFM-CVEARBPZSA-N 446.508 2.230 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1516362867 RPJXNGYVQTZRFY-HIFRSBDPSA-N 425.279 2.115 30 10 IEEE N#Cc1cccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)c1Br 1529972189 UUUDKETXRLQBGX-ZDUSSCGKSA-N 426.361 2.411 30 10 IEEE N#Cc1ccc(C2(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)CCOCC2)cc1 1531816095 BGCCMKBDYVNZIM-UHFFFAOYSA-N 429.498 2.371 30 10 IEEE CC(C)CNC(=O)[C@H]1CSCN1C(=O)COc1ccc(C#N)c(Br)c1 1537390797 AFPUUJBPRAUZRZ-OAHLLOKOSA-N 426.336 2.373 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1537528020 LCKYSDDQEIYXTH-QZTJIDSGSA-N 431.558 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1538547150 BPRFLFGXAOMAQJ-VQTJNVASSA-N 428.533 2.132 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539002519 ULPOYKIVJFAIFQ-OXJNMPFZSA-N 431.500 2.359 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539133568 ZUMRLEXXDXZGQG-UHFFFAOYSA-N 440.592 2.479 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1539211863 PRXWYGHUKLFYKC-HNNXBMFYSA-N 445.545 2.410 30 10 IEEE Cn1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(I)n1 1539548482 LCQZTASBEHUSNN-UHFFFAOYSA-N 449.296 2.244 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 1539641200 DFZMZHMOYHXHFX-HBFSDRIKSA-N 428.537 2.120 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCOC1 1539729827 SPCJOQNQDMWVNU-QGZVFWFLSA-N 434.562 2.414 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NC(C)C)C1 1540893205 YPUGPCPMGFPPBL-LPHOPBHVSA-N 427.505 2.097 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2 1544220526 FBLTYINLZRGAKG-WBVHZDCISA-N 438.322 2.030 30 10 IEEE CCS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548379877 KJYRCTVGOHLJMU-MRXNPFEDSA-N 444.479 2.073 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CCOCC2)cc1 1555989412 KLYOWNQIDZLJEC-OAQYLSRUSA-N 436.516 2.379 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)nn1 1564958526 ZQONSYYYKMBVHT-UHFFFAOYSA-N 425.356 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOC[C@H]3[C@@H]3CCCC3=O)C2)C1 1567478815 PKASCUBZPNZBKB-BMGOBEIKSA-N 431.533 2.370 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1585297281 RKIQETYTKFVRLO-RVWPBIELSA-N 446.548 2.445 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1587567068 AUYSWYMZHFACBM-CYFREDJKSA-N 439.560 2.273 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(CCc2cnccn2)CC1 1588072014 QSLLYUXYJBDPSO-IBGZPJMESA-N 430.553 2.141 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1589036614 LTFBFYJFONDKJI-MRXNPFEDSA-N 427.530 2.003 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1589088811 JPGYVPKYVRIYLO-SVMVAKDDSA-N 427.574 2.403 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1593752626 NWRVPVAPELWYOB-BGYRXZFFSA-N 432.613 2.060 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1595251858 YGJUZAXRNQYCFF-LJQANCHMSA-N 442.564 2.168 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1595754869 QTAUILFJRXUJRK-YSIASYRMSA-N 443.523 2.394 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)C1 1595789905 DYRQHZRCGFSHQW-IBGZPJMESA-N 443.594 2.323 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595871381 PHTBETNGDRPWHK-UWJYYQICSA-N 431.537 2.385 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 1598093820 IHZUGQMCXVQZNX-BZUAXINKSA-N 425.526 2.044 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1614308336 HJNQXJQJXSYQJT-SFHVURJKSA-N 438.532 2.139 30 10 IEEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1617992459 BCAWSCZFOXDGJY-UHFFFAOYSA-N 430.415 2.339 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1)OC 1619606699 BAVISNFHUBUGDW-HXUWFJFHSA-N 442.564 2.311 30 10 IEEE COCCCOC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1619859887 RUIRDNBKYNNYLE-UHFFFAOYSA-N 442.520 2.049 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1623391669 WQJRPOXCQYBNTI-LJQANCHMSA-N 443.544 2.409 30 10 IEEE COc1ccn2c(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)cnc2c1 1629821086 UMKAZCYXWWNAOH-UHFFFAOYSA-N 433.447 2.484 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1635630404 KCLJWHVXIICPMT-JKSUJKDBSA-N 435.525 2.478 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1635888131 YPRXSSDFBQCOKR-UHFFFAOYSA-N 435.419 2.208 30 10 IEEE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N[C@@H]1CCN(O)C1=O 1637458377 GSYYLUSDSLDOKT-OAHLLOKOSA-N 447.904 2.438 30 10 IEEE Cc1c(I)cc(Br)cc1C(=O)N1CC(O)(CC#N)C1 1638886213 CKTUZRYXDYUJRJ-UHFFFAOYSA-N 435.059 2.463 30 10 IEEE COc1nc(N2CCN(c3nc4ncccc4cc3C#N)CC2)ncc1Br 1639566974 WDVASSNIXKURAZ-UHFFFAOYSA-N 426.278 2.389 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1640219147 PVYDXUNYPCEIHB-MSYCTHLASA-N 428.533 2.356 30 10 IEEE CC(C)NC1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1641110740 GNGMFXKCRNNQBQ-DKTYTTGXSA-N 434.581 2.125 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCCO4)C2)c1 1642543361 RHUZDYMZKKFQQA-UHFFFAOYSA-N 441.509 2.206 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(=O)NCc3cccc(C#N)c3)C2)cn1 1648073689 ZUEHBUKDYUFQKL-UXHICEINSA-N 437.544 2.355 30 10 IEEE N#Cc1cccc(NC(=O)CCN2C(=O)c3cccc(Br)c3S2(=O)=O)c1 1653121625 HSJUEHBUFCNNKB-UHFFFAOYSA-N 434.271 2.494 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](CN2CCN(C(=O)CC#N)CC2)c2ccccc2)cc1 1654492775 YADFGPQLTFDEOL-NRFANRHFSA-N 426.542 2.073 30 10 IEEE CC(C)(CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@]1(O)CCCOC1 1663278896 FCYZCBGEGCFFST-MRXNPFEDSA-N 435.315 2.306 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 1673657814 GJYZMHIGKWNCSH-UHFFFAOYSA-N 432.477 2.235 30 10 IEEE C#C[C@@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1 1683502617 QRQLEQZACMRNGQ-LJQANCHMSA-N 426.904 2.088 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1690300731 IXABXQFZCJVZKM-MJGOQNOKSA-N 449.577 2.059 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690399368 UWTZNPJPIWTEMI-SJLPKXTDSA-N 426.583 2.229 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(N)=O)nc1 1690574358 XRACLNCMXRVUST-UHFFFAOYSA-N 439.545 2.213 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC)CC1 1690682752 YEBIOEDWGVCUPT-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)C1 1690686615 QSZHTGVQYZGGJR-WGGBDISSSA-N 445.539 2.405 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC)c2)C1 1690699536 GJIOJBAIKAIPTB-QUCCMNQESA-N 446.573 2.409 30 10 IEEE CC[C@@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1\N=CC=CC1=O 1693995007 AAURNLTXLYOZNP-RDCVWBNRSA-N 446.943 2.341 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705526438 GELLIRPTFKLNLP-IBGZPJMESA-N 433.560 2.267 30 10 IEEE C#CCCCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705539553 VDSJSPVVQFTRTI-QFBILLFUSA-N 429.487 2.416 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1CN(CC(C)C)CCO1 1705587554 ZTPKIFDKXFPMKV-FQEVSTJZSA-N 439.535 2.426 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CC=CCC2)C1 1705916688 MQQJPGCUGHBEAC-NZQKXSOJSA-N 431.581 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)CN2CCOCC2)C1 1705926310 BDQMYBCPXACVLE-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705945055 BRAGLLXFNFLXQX-MRXNPFEDSA-N 428.624 2.495 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1706850917 XBEZBHGKUMIXOF-VHSXEESVSA-N 448.446 2.231 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1712322043 FDLLDJQZEHSYEL-QFIPXVFZSA-N 437.504 2.121 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(F)cc1C 1712648087 PRCHTRFIADIHAQ-SXLOBPIMSA-N 429.496 2.421 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSCCCO)CCO1 1712884302 JWBYPLOPEUJVND-QGZVFWFLSA-N 426.546 2.195 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)c(F)c1 1722305514 IHDFBSNCGZGGLW-QRFRQXIXSA-N 443.523 2.338 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722315107 IQUCKDXBGBYYCQ-MRXNPFEDSA-N 429.594 2.036 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722319253 XCRPRFUIEBMUQC-UHFFFAOYSA-N 448.571 2.228 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722494202 BQHDQDJOKQAOIF-IHPCNDPISA-N 445.589 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1722497379 VFLMCUULXGOGIJ-OALUTQOASA-N 427.530 2.033 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722624368 BGCSVTJWPQPTOJ-FQEVSTJZSA-N 427.597 2.471 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCNC(=O)C1CC1 1722654994 AZBSZVARAXPGGI-UHFFFAOYSA-N 428.500 2.326 30 10 IEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722683718 XBOKWBCXDLIKPW-LJQANCHMSA-N 426.565 2.365 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1722736713 FVRHWAANGKBODF-UHFFFAOYSA-N 432.516 2.118 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCC1 1722985395 BNNWJXBBCZBFPG-QGZVFWFLSA-N 446.552 2.241 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1723064967 KHMMDFWYKFIEIE-HXUWFJFHSA-N 432.532 2.340 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1723769600 LNFCAAJHIUYMBE-LHSJRXKWSA-N 443.939 2.078 30 10 IEEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)ccc1C 1729985534 DVYXHGNUNOMZOR-SFHVURJKSA-N 429.546 2.286 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCC1CCOCC1 1730762141 APWFFXBCGDDTBH-UHFFFAOYSA-N 430.509 2.189 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740590279 KPQWHAGDDNEFBU-MSOLQXFVSA-N 427.553 2.414 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1740693914 QOYIVVPAOJVTMR-QFIPXVFZSA-N 449.647 2.282 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740852010 HQRHKNYNQVFULN-ICSRJNTNSA-N 432.613 2.406 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1)C1CC1 1740909928 DDZOLEGHZHGRCF-FQEVSTJZSA-N 445.589 2.399 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccn2)C1 1740982790 XCBYQZMZTCLBQB-ROUUACIJSA-N 445.589 2.334 30 10 IEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1741283491 SAFXIGKTNZUHAK-INIZCTEOSA-N 434.504 2.237 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C)n(C)c1=O 1744046241 DUCQFEZAWDPZAT-UHFFFAOYSA-N 439.564 2.382 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCCC2(C)C)CC1 1746524542 RPONDHGWUVLPIJ-LJQANCHMSA-N 437.548 2.483 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1747817571 PRHDBONWHNCLOD-UHFFFAOYSA-N 426.496 2.439 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1748723306 JKSZLLKUDDBGHU-UHFFFAOYSA-N 434.500 2.253 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748770548 BIXGXASTNWHLBJ-RUZDIDTESA-N 437.588 2.487 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1748784653 DVXCQKZPJJJADP-JOCHJYFZSA-N 438.557 2.002 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1748887911 IRAUITPJGPXTMB-OALUTQOASA-N 440.498 2.273 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cnn(C)n2)CC1 1749293885 XXZDPSPZAVEXOA-UHFFFAOYSA-N 441.561 2.266 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1750140973 HTVKYYKKCMVANA-WCIQWLHISA-N 433.553 2.184 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@]2(OC)CCOC2)c1 1760125980 ONHDILASKCEJSJ-HSZRJFAPSA-N 434.500 2.135 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C/CC)c1 1760128276 DGNDZVBSRPBAEU-DKFQHHCZSA-N 441.557 2.203 30 10 IEEE C#CCCCn1c(N2CCC[C@H](CNC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760160019 WGVVUCFPXLWLSF-XXBNENTESA-N 431.581 2.332 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)COCCO1 1760226485 FFONAYLOMIHRDY-JOCHJYFZSA-N 430.505 2.236 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN(C(C)=O)C1 1760246793 CXLXODFCVDWAOS-QGZVFWFLSA-N 430.940 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCC(C)(C)COC)CC1 1760269140 ZOTOQEXJEZSGDT-UHFFFAOYSA-N 439.564 2.154 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1760277534 NWBGNVBXKXOWGD-KRWDZBQOSA-N 443.573 2.434 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760451938 YVAVQDMMNZXUED-MRXNPFEDSA-N 446.502 2.296 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)CC(N)=O 1760514626 BSGLSUCHPJKCTR-MRXNPFEDSA-N 449.559 2.355 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC2CC2)c1C 1761590552 HHRGGHVEOVZIDG-IEBWSBKVSA-N 438.532 2.290 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)c1 1761725678 HFVXDWVIZYIOQB-VOQZNFBZSA-N 429.496 2.456 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2c(CC)nn(C)c2CC)CCOC1 1765878908 BDNZNIVOEBDJLK-YADHBBJMSA-N 445.543 2.279 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1766473899 FCYVIRLNPBZMSF-IBGZPJMESA-N 436.520 2.273 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 1766698970 AYOAHNATWLRHPA-UHFFFAOYSA-N 441.561 2.453 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1768279444 GYWSTQGSRVOGEG-UHFFFAOYSA-N 446.577 2.432 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccs1 1768997780 NOKHUDDFZNFLLW-LBPRGKRZSA-N 434.323 2.280 30 10 IEEE CNC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1769357075 SQYNAHSLODXXBO-UHFFFAOYSA-N 433.516 2.428 30 10 IEEE CO[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1769595094 JEUXKECFFGSHCL-PXAZEXFGSA-N 441.389 2.335 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@@H]1C[C@H]1CF 1771216299 CTLFXAUEIJFKKP-BPQIPLTHSA-N 429.500 2.126 30 10 IEEE COc1ccccc1CN1C[C@@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1=O 1850897041 VBDIXCLXRYKGFX-NRFANRHFSA-N 447.539 2.343 30 10 IEEE CN1CCN(c2nc(NC(=O)c3cn(Cc4ccccc4)cn3)c(C#N)cc2C#N)CC1 1851220003 XSKHOXLQDWKEDG-UHFFFAOYSA-N 426.484 2.074 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)C1 1854622836 XUWZQEQWTMBFMR-CQSZACIVSA-N 445.994 2.192 30 10 IEEE N#Cc1ccc(CCC(=O)O[C@H]2CON(S(=O)(=O)Cc3cc(F)ccc3F)C2)cc1 1855442742 AJMUQWRKFZUKGE-GOSISDBHSA-N 436.436 2.458 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CCC(n4nccn4)CC3)CC2=O)c1 1856267984 GXFZOCNJPLHIBQ-INIZCTEOSA-N 426.908 2.323 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(C)c2C)cc1 1858963408 KJLSKSOYEABVJG-UHFFFAOYSA-N 430.482 2.047 30 10 IEEE CCOc1ccc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OCC 1860735058 BLNJTJUBJOAJTE-YRNVUSSQSA-N 432.498 2.030 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1 1862608962 ZUUDXCMVISDNDY-SPLOXXLWSA-N 438.480 2.483 30 10 IEEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(CCCN2CCOCC2)C1=O 1863436255 ADLDQROOCFZUPW-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870109331 RLZKARHGOAMXIE-KRWDZBQOSA-N 444.451 2.196 30 10 IEEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870761619 LVKIFYWGXYMTOB-UHFFFAOYSA-N 435.521 2.031 30 10 IEEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871646342 ZJSZRAZCXYIPEG-UHFFFAOYSA-N 435.492 2.232 30 10 IEEE O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCC#CCN1CCCCC1 1891190404 LONQYENXBTTXEP-DEOSSOPVSA-N 433.552 2.398 30 10 IEEE COc1ccc(CCC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c(OC)c1OC 1891500442 FQPJLFKCBGRHPG-INIZCTEOSA-N 426.473 2.377 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 1901464334 CFKJFUPTLOWUAN-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CC1(C)OB(CC2CN(S(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1924393450 MHQAOROZIZASHI-UHFFFAOYSA-N 448.350 2.027 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1962799519 AZKUWSNFEKRWPI-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](CO)C1 1991582045 LPUSWNVMXOXHIN-GGYDESQDSA-N 427.542 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060620683 DLUGORKJWIVQKD-SIRPWMCASA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2067382229 BCDSSPDMOXPMGR-OALUTQOASA-N 432.370 2.446 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)c3cc(Br)cs3)nc2)OC1(C)C 2102374716 YPTFQSDIZHGKHO-UHFFFAOYSA-N 446.157 2.401 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCC#N)CC(F)(F)F 2114340863 UGRVRFMNHRBIHZ-MRXNPFEDSA-N 435.399 2.119 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669386 CUMOIDVQPIAKJS-JKSUJKDBSA-N 447.341 2.080 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)nn1 2231060607 WXPLDJIHMFKGFG-UHFFFAOYSA-N 449.361 2.388 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)C1 2247565381 SFWGUPKKUNIEBK-XNROWMOSSA-N 437.537 2.092 30 10 IEEE C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248404194 KXWMIWCUWSTEHF-JSGCOSHPSA-N 440.371 2.110 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2250817691 VCILEAKIURVZEK-UHFFFAOYSA-N 439.553 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254807070 WBIAAQOUGILAKS-NRFANRHFSA-N 437.321 2.304 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255656356 ZOVSIMNVPKTLHK-CQSZACIVSA-N 436.362 2.143 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256621096 QGOGSDNRMYRUTD-WMLDXEAASA-N 434.342 2.049 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256671190 OWEGLUDHRDPHAH-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917436 VNFDLBUSPHGUNT-YOEHRIQHSA-N 429.278 2.367 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2259927559 ZBZSOMMRWNWAIR-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267003190 LCEVWGNDKZLLFD-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2267100450 AOBTWABPTOCDHK-INIZCTEOSA-N 446.353 2.040 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 2267128870 UULXIGREEZUHNJ-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE Cn1nc(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267132258 NJNGWFZBVAAGDP-GASCZTMLSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267136930 MYNQNDDLQXLGCF-GOEBONIOSA-N 446.357 2.180 30 10 IEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142960 AWPNRAPUORZHDK-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2267491249 ANLDUSNIUWPSGB-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE CN(CCOCCNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322310383 DZHFZPZCOSSTRY-UHFFFAOYSA-N 439.337 2.497 30 10 IEEE CCOc1cc(C=NNc2nc(C)c(CCO)c(O)n2)ccc1OCC(=O)N(CC)CC 2323272307 SKECRLPZONQGOP-UHFFFAOYSA-N 445.520 2.117 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 2337291000 AMVIYFRWBJQZKW-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE C=CCN(CC(=C)Br)S(=O)(=O)c1nc(NN)ccc1Br 2368100723 KFJSJDHOQLRNMX-UHFFFAOYSA-N 426.134 2.215 30 10 IEEE C[C@H](NC(=O)CSc1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)n1N)c1ccccc1 20292075 OQZRJDOLXBMNJV-PUFAJPFRSA-N 440.489 2.316 30 10 IEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)NC2CCCCC2)c1=O 33141024 RXFHRQUZCIZQDH-UHFFFAOYSA-N 431.562 2.245 30 10 IEEE CCOC(=O)CSc1nnc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)s1 104556328 IVOAVHXRDVTWMH-UHFFFAOYSA-N 435.516 2.091 30 10 IEEE CCOC(=O)[C@@](C)(NCCC(=O)Nc1sccc1C#N)c1ccc(S(C)(=O)=O)cc1 430278170 PDIVQZZIMKRCSY-FQEVSTJZSA-N 449.554 2.420 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1C1CC1 443555827 YFLYKIIVGQWMKG-UHFFFAOYSA-N 446.507 2.251 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 446627934 HUEJYYDFUAJCEZ-UHFFFAOYSA-N 431.500 2.442 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 460293718 OICWHZQVXARBPP-IAGOWNOFSA-N 443.525 2.165 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 460932347 NRYJMDNKSUZCJY-HXUWFJFHSA-N 445.589 2.422 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2SCCc3ccccc32)CC1 463347509 YRBCAUDPJFECMG-FQEVSTJZSA-N 427.551 2.422 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CCO2)c1 484820528 LXDMNIFSYRJZOU-FQEVSTJZSA-N 429.498 2.101 30 10 IEEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 505730128 UJCSYQUTLNIDON-IQMFZBJNSA-N 442.516 2.470 30 10 IEEE C=CCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(F)(F)Oc1ccccc1 508919619 RLFQZIZGNRJOPM-HNNXBMFYSA-N 441.504 2.358 30 10 IEEE N#CCc1ccc(OC[C@@H](O)Cn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)cc1 514098331 CYCUNHXWPFJWRZ-NRFANRHFSA-N 430.508 2.308 30 10 IEEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C)c1=O 514835485 HOGURRFKWCSHDO-UHFFFAOYSA-N 445.544 2.388 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 523255015 BGDRGRQXCCUZKS-ZIAGYGMSSA-N 432.492 2.485 30 10 IEEE CC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCN1CC(F)F 537288326 SPUBTUJQOPHXNT-IRXDYDNUSA-N 425.549 2.118 30 10 IEEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N(CC(=O)O)Cc1cccc(C#N)c1 548575110 CQWLBJVIKMIFJP-UHFFFAOYSA-N 443.481 2.191 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@]2(CCOC2)C1 559004793 QZJYXYUAEZPWCH-QFIPXVFZSA-N 425.537 2.024 30 10 IEEE N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 572312894 LOQWWBNPEMDZCT-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 610809824 PIVSSURQHABUAW-OXJNMPFZSA-N 437.525 2.059 30 10 IEEE CC[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1OCC(=O)NC 612840330 COPZXDILSGMQCM-IBGZPJMESA-N 436.516 2.061 30 10 IEEE N#Cc1ccc(N2CCC[C@H](N3CC(S(=O)(=O)N4CCc5ccccc54)C3)C2=O)cc1 616176536 VFRGBGYMZOTQTP-QFIPXVFZSA-N 436.537 2.130 30 10 IEEE CCN(CC)C(=O)[C@H](C#N)C(c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C#N)C(=O)N(CC)CC 616582954 WSDQAIKSDFQYIS-HUUCEWRRSA-N 445.476 2.106 30 10 IEEE in-vitro C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CC[C@@H](C)[C@H](F)C1 669804803 FQXXOURIEZIJAB-VQIMIIECSA-N 449.552 2.336 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)[C@@H]1CCS(=O)(=O)C1 729335605 SBSXWFLCEFIPMK-TZIWHRDSSA-N 448.544 2.260 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C[C@H]2CCCO2)C1=O 730140965 YIKQHUMSDWQFQH-PBHICJAKSA-N 440.516 2.143 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCN1C1CC1 732668873 BBAHSEWZKVLPCC-LJQANCHMSA-N 428.489 2.439 30 10 IEEE Cc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1I 746095826 DLOIIVVVVFVEDZ-FOCLMDBBSA-N 425.226 2.455 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 747336218 BXJOCXUJSRAYMO-UHFFFAOYSA-N 437.525 2.149 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 749798125 NNTWSVIDAHXKNW-RBUKOAKNSA-N 432.590 2.419 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CCCCC1 760401212 UMMCDGWHDXUTHE-GFCCVEGCSA-N 425.429 2.070 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 774166462 ODNHZLBXJZRHOC-XQBPLPMBSA-N 431.602 2.496 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 781649967 UNVPWAUECBLYGV-MRXNPFEDSA-N 443.594 2.425 30 10 IEEE Cn1ncc(-c2csc(=Nc3ccccn3)n2N=Cc2c(Br)cnn2C)n1 789990870 LEMIDSJSKAFPQY-UHFFFAOYSA-N 444.322 2.351 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2cnn3ccccc23)c1=O 794613733 DXQYJPIALMOFSP-UHFFFAOYSA-N 438.553 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC3(C#N)CCCC3)C2)CC1 796200589 IKYGCSVLGPOLEC-QGZVFWFLSA-N 426.583 2.027 30 10 IEEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 798364848 OTEYTBLYCPWRCI-MJGOQNOKSA-N 448.564 2.492 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807937259 ZCUUJJWISAWSES-RWMBFGLXSA-N 435.460 2.307 30 10 IEEE C#CCN(c1nnc(C23CC4CC(CC(C4)C2)C3)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812150836 YHRCPUCWFOJELT-RQJZOYDLSA-N 432.590 2.019 30 10 IEEE COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 815689975 BJMULYNZAFMNLL-QGZVFWFLSA-N 428.489 2.411 30 10 IEEE N#CCCN(C(=O)COC(=O)Cn1c(O)nc2ccccc2c1=O)c1cccc(Cl)c1 915402173 HKUIYGFPQGCHAF-UHFFFAOYSA-N 440.843 2.246 30 10 IEEE COc1ccc(NC(=S)Nc2ccccc2C#N)cc1S(=O)(=O)N1CCOCC1 915995468 UBTIVEONHOUTIO-UHFFFAOYSA-N 432.527 2.397 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NCCOc1ccc2c(c1)OCO2 919008002 ITVHKYQHKJARRZ-UHFFFAOYSA-N 437.408 2.331 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)OC3CCCCC3)n2N)cc1 1084639679 MWSDMGIYHSMYAH-UHFFFAOYSA-N 432.506 2.193 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](C)(C#N)C3)CC2)cc1 1131513228 XIKMQBHPGRDJJW-NRFANRHFSA-N 433.530 2.026 30 10 IEEE CS(=O)(=O)N1CCCc2cc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)ccc21 1134277797 DFKZAIFASJPDGY-NRFANRHFSA-N 425.510 2.484 30 10 IEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)oc(=O)c2ccccc12 1141411542 BBMQRCFNFCFFJC-UHFFFAOYSA-N 437.477 2.120 30 10 IEEE C[C@]1(c2ccc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cc2)NC(=O)NC1=O 1144280850 HDEYGMURQGGVJD-XMMPIXPASA-N 431.496 2.007 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 1152967216 AOIYXAIUUAZUPH-UHFFFAOYSA-N 447.944 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CCCCN1CCO 1158994746 LGSHLTHUOWIBDF-FPOVZHCZSA-N 442.560 2.356 30 10 IEEE C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)CCn1cc(C#N)c(O)nc1=O 1160374191 IHZZNKBEZZGWLO-OKILXGFUSA-N 449.433 2.355 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1166675389 VKZZAKKBGMNGND-LRVSTDGRSA-N 444.491 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC=CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1174882509 ARXCWDVMJLVMSM-QGZVFWFLSA-N 431.562 2.481 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3ccccc3cc2C(=O)OC)n1 1189895842 DIBIZWKSIOUBRF-UHFFFAOYSA-N 441.509 2.293 30 10 IEEE CN(Cc1ncc(Br)cn1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1233854500 XXIWTYKNIOYRCK-YPMHNXCESA-N 439.314 2.140 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(CC)CC)N1CCOCC1 1286359441 WETBUTBIKSNDKB-IBGZPJMESA-N 439.564 2.132 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1c(C)noc1C 1286363750 YVRTZNAEEJXBSJ-UHFFFAOYSA-N 441.561 2.464 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1286448363 SLQSEVMWSNJWLU-QRWLVFNGSA-N 436.965 2.201 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc(F)c2F)CC1 1286469226 CBUXHYSEIAXAAL-UHFFFAOYSA-N 444.530 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1286786519 FXXBGYVEPQZWME-KRWDZBQOSA-N 435.532 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286816041 HMBWCHXDEJRFKR-UHFFFAOYSA-N 449.577 2.331 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1289682634 CDSYTAJBAVRRDJ-UHFFFAOYSA-N 443.529 2.490 30 10 IEEE N#Cc1ccccc1COc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c1 1299141104 CJYGALORDCAJFF-NHCUHLMSSA-N 426.494 2.165 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300392287 QNDOILJCZZQZCH-QGZVFWFLSA-N 441.923 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CS(C)(=O)=O)CC1 1300511712 OFXYSWNFDQTRTR-UHFFFAOYSA-N 448.495 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccnc(OC(F)F)c1 1300527093 BJIPHZFXCUGMFL-UHFFFAOYSA-N 440.410 2.123 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC1(S(C)(=O)=O)CCC1 1300548792 PENXADKRBIFVSO-UHFFFAOYSA-N 426.542 2.206 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F 1300573143 DFJGKTBWIKNIKP-KRWDZBQOSA-N 438.463 2.219 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1300700431 PDYLEAWBOZDRRF-FQEVSTJZSA-N 436.560 2.324 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300742824 BBJMWTGRUIWNGC-MRXNPFEDSA-N 428.518 2.182 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1300901009 VLSUPKZTVJSPKV-IRXDYDNUSA-N 435.598 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1302785705 QRYWGDVQNGUEIW-OALUTQOASA-N 426.517 2.047 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 1305948758 GJPPYKMFIBHTGE-GOSISDBHSA-N 429.546 2.204 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1 1306015641 WSWJDUZUBNUNDH-IAGOWNOFSA-N 441.525 2.228 30 10 IEEE CCCN1CCCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C#N)o2)CC1=O 1307061215 GJHLYBIUVMSLEA-UHFFFAOYSA-N 441.536 2.158 30 10 IEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCOc2ccccc21 1316101298 HCQPQUQMVACXGQ-GOSISDBHSA-N 438.532 2.333 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1316532818 WGVDAIKPAXAUMB-ORAYPTAESA-N 439.463 2.024 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358966202 JTXIILCJZUQHBS-SFGWALBWSA-N 434.606 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1([S@@](C)=O)CCC1 1358971097 IIQVNEKALMRSNI-HHHXNRCGSA-N 448.390 2.420 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C1CC1 1359002615 GWDDRLVSPWPOCW-KRWDZBQOSA-N 444.605 2.138 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)N(C)C)CC1 1359182922 XYFOTEDIGVFYAV-QZTJIDSGSA-N 439.626 2.491 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C(=O)NC 1359295380 ZNZVBWGIOAIHQP-HNNXBMFYSA-N 444.605 2.396 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(c3cnn(C)c3)CC2)cc1 1359308625 ULOHVEXOVSNGHT-UHFFFAOYSA-N 437.548 2.488 30 10 IEEE CN1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)CC1 1438886750 MQPHEETXMQHEOR-UHFFFAOYSA-N 440.569 2.446 30 10 IEEE C=CC1(CC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1443542580 BLJCZQINZRLJRW-GOSISDBHSA-N 448.608 2.391 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccc(C(=O)NO)cc2)cc1 1448499277 DUASNTMYKXNJIG-GOSISDBHSA-N 429.498 2.036 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 1469226330 FZEGLIQFWXKBMP-CYBMUJFWSA-N 447.586 2.477 30 10 IEEE COCc1ncc2c(n1)CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2 1471092275 VWPRFFXZTKMGRP-WBWVDOBWSA-N 441.532 2.295 30 10 IEEE COC(=O)[C@]12CCC[C@H]1N(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1471732378 HUZCXTQPMNMPOV-GCJKJVERSA-N 447.557 2.230 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(-n3nnc4ccccc43)cc2)cc1 1471994449 HNPUFSMNRPTCNE-UHFFFAOYSA-N 432.465 2.209 30 10 IEEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCO1 1473652863 ZHECCMSIJMUFOH-SFHVURJKSA-N 430.553 2.050 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1495772814 GJHXXYMKCPUVDM-IHPCNDPISA-N 439.564 2.436 30 10 IEEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1=O 1503681543 BPDVQRKKXSZGPG-IBGZPJMESA-N 435.557 2.460 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)c(F)c1 1504887219 TXBXKYLYDRENBI-UHFFFAOYSA-N 426.500 2.298 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1sc(C)nc1C 1504994164 JAIBPEMSOMFQNW-YJBOKZPZSA-N 445.593 2.300 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccnc1N1CCOCC1 1507609550 AKBCBXFLQGLUNE-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(COCCOC)cc2)CC1 1507725416 VQWXIZAEFKLAHH-UHFFFAOYSA-N 448.571 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCn2cccn2)CC1 1507740476 MVNSIPYRJXHFEB-UHFFFAOYSA-N 445.571 2.316 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](COC)C1 1507749755 XFXURDSNPONWLF-KRWDZBQOSA-N 438.561 2.150 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N(C)C 1507762868 DCFTYUPLBWQHEW-JOCHJYFZSA-N 438.557 2.377 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507878101 SINAAHQTPPVNNS-IERDGZPVSA-N 432.546 2.045 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507937389 USMDXJRJYISNQJ-INIZCTEOSA-N 429.521 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1508137659 PHLYVXCHKSNDAA-INIZCTEOSA-N 429.546 2.263 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1508167600 NVNUJZDZPPJTTM-MRXNPFEDSA-N 431.562 2.452 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1508704087 GOUQPUZNNHCECF-ZOKDDAQRSA-N 428.562 2.066 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCCO 1511262245 AFFNYRGFMFTWMD-UHFFFAOYSA-N 447.543 2.246 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(SC)CCN(C)CC2)CCOC1 1516129030 GPUWRCRPXYMTLF-UTKZUKDTSA-N 436.626 2.496 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3cnc(Cl)cc3C#N)CC2)c1 1525046504 UBEAGSYNHYNIDB-UHFFFAOYSA-N 433.921 2.006 30 10 IEEE CCc1ccc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1532953898 DUCMVHTZAJLLEB-NRFANRHFSA-N 439.537 2.039 30 10 IEEE N#Cc1ccc2c(c1)CCCN2C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1533909984 GFUVLPKUPVKMAA-UHFFFAOYSA-N 429.473 2.311 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1535347489 UQEDLIXBTRDTRI-SWLSCSKDSA-N 432.336 2.483 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1539116661 PGHFMYQVMCGPHA-UHFFFAOYSA-N 438.557 2.047 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1539230605 IUGHANXOOSBNLY-YOCVDRLZSA-N 444.557 2.459 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539595180 TVQWBLFBSXKRDO-GJZGRUSLSA-N 449.357 2.188 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539603792 YJFGTXMYGRZZFI-CYBMUJFWSA-N 431.381 2.462 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCSC2)CCOC1 1541728937 QNPOOVVEHGTPOS-PCCBWWKXSA-N 435.594 2.317 30 10 IEEE C[C@@](O)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1541958024 XUHXPZKSGPFCFF-LHSJRXKWSA-N 429.427 2.377 30 10 IEEE Cc1nccn1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1542978984 FIXVPQOWVVNASW-UHFFFAOYSA-N 448.531 2.026 30 10 IEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)CC1 1547776100 CHYCCBMNCGCTBR-MRXNPFEDSA-N 443.577 2.332 30 10 IEEE CN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(C#N)o2)CC1=O 1554361415 KMQPSZSYUHSHBN-UHFFFAOYSA-N 441.289 2.499 30 10 IEEE Cc1cc(C(=O)N2CCN(CCC#N)CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 1557980601 GDHRREZAVWMPTH-UHFFFAOYSA-N 432.590 2.396 30 10 IEEE C#CCN(C(=O)NC[C@@H](C)CN1CCN(CC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1564037087 GVPQQDPSXYURJY-HXUWFJFHSA-N 449.640 2.304 30 10 IEEE N#CC1(CNC(=O)NC[C@@H](O)COc2ccc(I)cc2)CCC1 1564947532 RGTWIQKSZKNCIN-CYBMUJFWSA-N 429.258 2.024 30 10 IEEE CC(C)C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(=O)N1CCOCC1 1564972335 FDQPGQFWMAOOLQ-NRFANRHFSA-N 428.533 2.385 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2CCCC[C@@H]12 1583867055 RXPDLFVXWOLGIO-LISAXSMJSA-N 447.557 2.084 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1587888304 COLADEAFWKTVPX-IBGZPJMESA-N 436.516 2.381 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1593625479 ZOSSUCQHQLBVTB-HXUWFJFHSA-N 440.548 2.145 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1594668873 LUWZSWFPRDXUPK-UHFFFAOYSA-N 428.512 2.484 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1594824605 MRRKLKFLTPSCFZ-SFHVURJKSA-N 446.596 2.124 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1595555578 CWEUYGIEOBZHCP-UHFFFAOYSA-N 443.502 2.436 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CC(=O)NC(C)(C)C 1595778069 VLYGMHIHIIQXBL-UHFFFAOYSA-N 433.578 2.205 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@H]1C 1595894863 ALZWXELFWBUVLW-MRXNPFEDSA-N 425.562 2.103 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)s1 1612518056 OJAIRNOTNFQQAH-AWEZNQCLSA-N 436.545 2.276 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1617204169 OCXWOJWOAOYRSQ-VQTJNVASSA-N 427.505 2.149 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)C1 1618634060 AINHZMPZLWKLCE-OKXSDPAFSA-N 442.589 2.326 30 10 IEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1618729083 ACMFRHNVZDOCHM-GOSISDBHSA-N 444.511 2.066 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1618780045 QULXPWQIPJIJEI-GOSISDBHSA-N 426.521 2.116 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1623734375 SAKCCUKSFNYIOH-UHFFFAOYSA-N 437.397 2.334 30 10 IEEE Cc1ccc(Cl)cc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629484929 FXHJRLHATYVIMM-UHFFFAOYSA-N 433.917 2.432 30 10 IEEE Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1635415230 ADCAVONAXVBJOT-PMACEKPBSA-N 434.479 2.274 30 10 IEEE C=CCn1cc(CNC(=O)NCc2c(Br)cncc2Br)nn1 1635490205 OWTIOOKDNLCGTA-UHFFFAOYSA-N 430.104 2.384 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)s1 1636375232 VCBKPFPDJAFOFQ-UHFFFAOYSA-N 443.934 2.155 30 10 IEEE CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1638945340 ICMCDRSGSIIVAY-INIZCTEOSA-N 439.476 2.248 30 10 IEEE C#CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1641287972 AFICCMSOHOGHJD-INIZCTEOSA-N 426.494 2.379 30 10 IEEE CC(C)CN(CC1CCN(C)CC1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1643276067 OAYIJKPTRWFNOK-UHFFFAOYSA-N 434.606 2.332 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)C1 1644638059 HDLKUIVABAYUOF-GOSISDBHSA-N 437.496 2.489 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2nc(C)cc(O)n2)C1 1645364030 ZCBSRKFESORLKU-UONOGXRCSA-N 425.917 2.221 30 10 IEEE C[C@]1(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)COC(=O)N1 1652065849 GSEIAZZKCLRLJW-SPLOXXLWSA-N 430.892 2.302 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C4(CCC4)C3)CC2=O)cc1Cl 1652398889 XOOWWUSAFHWURV-GJZGRUSLSA-N 435.933 2.181 30 10 IEEE N#Cc1cn(CCNC(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(=O)nc1O 1669318880 FDGZQMTVGRHAOL-AWEZNQCLSA-N 436.497 2.371 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1670227147 BCLVFROIXMVETM-ACJLOTCBSA-N 430.461 2.438 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1672214398 NOEMKAVCBARCAC-YVEFUNNKSA-N 440.319 2.416 30 10 IEEE COc1ncc(NC(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N 1674777686 DGZWIJKEVDBMEO-KRWDZBQOSA-N 430.509 2.121 30 10 IEEE C#CCC1(O)CCN(C(=O)NCCOc2ccc(I)cc2)CC1 1681964716 CBXBLPFPFQCHPI-UHFFFAOYSA-N 428.270 2.230 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCn4nc(C(F)(F)F)cc4C3)C2=O)cc1 1686084792 SWHBSZWUQDHCIG-MRXNPFEDSA-N 432.406 2.494 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1689829248 WTEBRXPLQKVXCI-AQOAWAETSA-N 446.573 2.042 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2Cc2nncn2C)c1 1689868408 FYZXSEZDMDUMAL-UHFFFAOYSA-N 430.472 2.080 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)cc1 1690102080 CCBVNSIXVGLVCM-JOCHJYFZSA-N 439.560 2.491 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1690130278 CZMQUBRDXWRMCI-JOCHJYFZSA-N 428.625 2.123 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690502802 HBPLGKLNVLBDCQ-SFHVURJKSA-N 441.532 2.366 30 10 IEEE CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1694830168 FZKFITRKLALAOQ-OGWMBBJDSA-N 435.532 2.415 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCC1 1705481041 YTDSZNKYVYHVNE-GFCCVEGCSA-N 440.367 2.461 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705533839 RXSLPDZMMQKREO-YJBOKZPZSA-N 429.546 2.244 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569841 KKYJEYJFHDIPTK-UYAOXDASSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(N(C)C)CCSC1 1705578410 RCUSGTWJYKJBSI-QHCPKHFHSA-N 439.585 2.472 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1705591514 DYWCLKVMQYTIFU-UHFFFAOYSA-N 425.920 2.344 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705706503 VWYOCWUIYIYLLG-YXTQBTIXSA-N 430.597 2.301 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@](C)(C(N)=O)C1 1705896115 BWPDRSGJKCDSQS-PEBXRYMYSA-N 442.589 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1705936336 OVTMMUNTWGNGSL-MSOLQXFVSA-N 446.573 2.385 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1706072068 CBPHXZXHRWCFBD-MRXNPFEDSA-N 439.545 2.235 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)OC1CCCC1 1706655530 AURLMRZRUDVBAP-UHFFFAOYSA-N 432.550 2.455 30 10 IEEE C[C@@]12COC(=O)N1CCN(c1nnc(COc3ccc(C#N)cc3)n1CC(F)(F)F)C2 1706965764 LCBOHIKTLOVFRJ-GOSISDBHSA-N 436.394 2.322 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCn1nc(C)cc1C 1710735812 XAYGAQODHWUYFM-UHFFFAOYSA-N 449.563 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722377827 KFNNMMZYSNPBQJ-SFHVURJKSA-N 432.450 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1722389837 LYUSJKDFOAXBGE-UHFFFAOYSA-N 431.949 2.097 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1722412942 FYZDRMIRSTWAAY-MOPGFXCFSA-N 446.596 2.386 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2=CCCOC2)n1 1722427729 MXYJJBNBRXYQSQ-UHFFFAOYSA-N 433.516 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1722502130 RJCUKUVVAKGPPI-DLYSWHJUSA-N 444.580 2.371 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722579531 HRRUSFYOKYMNIP-QGZVFWFLSA-N 438.985 2.124 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722585747 IBOZBOUXUAYEAG-JOCHJYFZSA-N 435.536 2.225 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722600629 QZFFAXHEXIPCPY-LJQANCHMSA-N 437.548 2.011 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1722628386 BIPAOVIOVGWQNG-UHFFFAOYSA-N 439.564 2.241 30 10 IEEE C=CCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1722690431 GERBYCRDVCPCJE-QFIPXVFZSA-N 429.496 2.104 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCC(C)CC1 1729034710 ZEGUQZJJTVVVQK-KRWDZBQOSA-N 439.564 2.470 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1=O 1730785679 HYBRWQHUBQYNHN-GOSISDBHSA-N 426.546 2.007 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCOCCCO)cc1 1731180598 GUYNKYJFNPYYPY-UHFFFAOYSA-N 439.438 2.109 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC=CCC1 1731216790 ANFJUGNLNVJPIC-QZQOTICOSA-N 438.463 2.289 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC1CC1 1740537578 WICBDKDURIYWCY-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1740547733 AJCUEVZHDGQIRH-AEFFLSMTSA-N 443.552 2.021 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1740628624 ZDXBGRHYCFAIFF-XLIONFOSSA-N 436.965 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(=O)NCC 1740632497 KSRRPBQYRKLFQJ-UHFFFAOYSA-N 431.338 2.271 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1740658970 IBIZXDWNAKDFDZ-UYAOXDASSA-N 434.544 2.202 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCC)CC1 1740757389 VTBBZUBINLVNCS-WIYYLYMNSA-N 442.564 2.086 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)C1 1740969810 BPIHDAWTVLNXAP-MOPGFXCFSA-N 438.532 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740989688 VMKSCPAKYCVLTN-UKRRQHHQSA-N 447.483 2.040 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1741135754 BPGLWCHMDNIXJX-DUQZYUJVSA-N 445.568 2.123 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCc2cnn(C)n2)CCOC1 1741725899 QJEUJDFZRIVTTP-JOCHJYFZSA-N 442.568 2.210 30 10 IEEE CC1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1742007232 PUMQWJPYBVPBMK-CWFNNOHCSA-N 444.536 2.050 30 10 IEEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1746366976 HYNHOFPLSNXFML-LBPRGKRZSA-N 432.330 2.302 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1748730008 BLMNPSQGZXZVNO-UHFFFAOYSA-N 449.475 2.285 30 10 IEEE C#CCCCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1748764107 HXWUTRYVKBWIIB-IBGZPJMESA-N 429.487 2.418 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1c1ccccc1 1748773185 UDPPECMEKPQBKR-UHOSZYNNSA-N 431.562 2.126 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(-n2cncn2)c1 1748907299 RJEJPLKXAXJYPN-UHFFFAOYSA-N 427.472 2.014 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCOC[C@@H]1C 1748945312 QIUKHLVHZYRMNY-ICSRJNTNSA-N 427.524 2.282 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1748984754 ZRXVNJKHTIVBLS-UHFFFAOYSA-N 439.564 2.399 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Nc2cccnn2)CC1 1749037012 ABHBXUSLORHAHN-QGZVFWFLSA-N 427.578 2.409 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749083883 LSLUCDKDEAVPMO-FZMZJTMJSA-N 439.358 2.467 30 10 IEEE C=C(C)COCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1749240991 BHEMSDNMHLWWFJ-MAUKXSAKSA-N 434.459 2.290 30 10 IEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](COC)C1 1749416137 ZJOCWLQGOOVLLK-SFHVURJKSA-N 449.577 2.013 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749452167 QFQXZKXSEJQDGV-FPOVZHCZSA-N 426.565 2.480 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1=O 1749471098 JIHMEKZZNOMQLV-UHFFFAOYSA-N 431.562 2.373 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1749700672 MMWTUJUWOBXYCA-CEXWTWQISA-N 444.532 2.284 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCCOC(F)F)cc1 1750382721 JVDHZCCDGKZGKP-CVEARBPZSA-N 432.431 2.381 30 10 IEEE Cc1ccccc1-c1nnc(N2CCCO[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751672338 ZJZKQZXBMBRPFK-XGIGFIBQSA-N 436.516 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1CCCO 1760101784 BFLFVFNPPHYGSO-IEBWSBKVSA-N 427.549 2.267 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760136852 LTUSABFYVOZJNV-NJYVYQBISA-N 441.624 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)CCCO2 1760193316 DDBNSFYCUXCISU-UHFFFAOYSA-N 426.480 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccc(N2CCOCC2)n1 1760221239 OPLCNFXVHVLAED-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC(F)F)c1 1760297414 RVPGFFQAGBDEAV-OAQYLSRUSA-N 430.459 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760316910 YFVCCAJGSMMEQQ-SBHAEUEKSA-N 432.613 2.419 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1760341126 ASHAXZAHFFOYMV-SJORKVTESA-N 442.568 2.277 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760351096 BZHCWRXUPRIWIF-VGSWGCGISA-N 435.569 2.173 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760442340 NJQWFFPQDUZJKC-CVEARBPZSA-N 428.562 2.483 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1760545322 RVSBMKAFIMWWMA-GBESFXJTSA-N 427.553 2.016 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1763283536 RSYFRNUOPLIVHS-NYAYQYMKSA-N 441.561 2.140 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@H](C)O1 1763577762 CVBXIDXQXXNEOE-HOCLYGCPSA-N 448.474 2.114 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCc1ccco1 1763756291 SFTZATUXOTYPLK-QGZVFWFLSA-N 448.531 2.294 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1764191677 KHSCHBFNFRLXDQ-RBUKOAKNSA-N 442.520 2.094 30 10 IEEE CCc1nc(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cs1 1764651319 SIHWYWZLWJKNHB-YJBOKZPZSA-N 445.593 2.246 30 10 IEEE CCOc1ccccc1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1766064810 FEHDODTVMIEBKM-ZJOUEHCJSA-N 441.532 2.372 30 10 IEEE CCCNC(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766233808 BIWMPLHJXFFRPY-UHFFFAOYSA-N 435.576 2.341 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1767248893 OXWQZUFWDYZAHX-AVRDEDQJSA-N 427.505 2.007 30 10 IEEE COc1ccc(-c2nnc(N3C[C@H](OC)[C@H](OC)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1768545532 ALFXKWDXFVXVGL-BGYRXZFFSA-N 439.472 2.325 30 10 IEEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1768715017 AGSHFMMWUINRBT-GOSISDBHSA-N 441.513 2.393 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(OC)CCC(C)CC1 1771304956 OIDQEUZTLYJJAG-KRPZRDOVSA-N 433.553 2.326 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)(C)C)CC1 1772660413 UDLWWHDYZQSRHF-UHFFFAOYSA-N 442.589 2.338 30 10 IEEE COc1ccc(-c2cc3c(N4CCC(C(=O)N5CCO[C@H](C#N)C5)CC4)nccn3n2)cc1 1848553719 JSDAKMWTRHAZQW-HXUWFJFHSA-N 446.511 2.372 30 10 IEEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 1849335759 CDQBUBOERNVZQK-ZDUSSCGKSA-N 441.285 2.358 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)cc1 1849843478 HKCUZBKTBRRNNX-HXUWFJFHSA-N 442.516 2.199 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)C1 1850970784 HCLATDIXBXHLHP-QGZVFWFLSA-N 430.505 2.107 30 10 IEEE COc1cccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)CO4)n2)c1 1857806783 KLUCWZNGAUCIDW-RMORIDSASA-N 436.497 2.070 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 1861587290 XXXRNMDRHGRAEK-ZNLUXHQJSA-N 435.524 2.331 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1862431742 NNZBFVLAINXNJM-GOSISDBHSA-N 430.844 2.466 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862592226 YBFNFXKQFUWXIO-NRFANRHFSA-N 438.480 2.311 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccccc2O)o1 1874433405 UAKBJGOPSCKKRU-ZVBGSRNCSA-N 429.458 2.174 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccc(C)cc3)ncnc21 1875232160 BKOPJPLPPFZDEV-UHFFFAOYSA-N 434.544 2.288 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3c(F)cc(F)cc3F)CC2)CC1 1889397019 RCXXTJPTEOGUOH-UHFFFAOYSA-N 437.506 2.295 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@](CNC(=O)OC(C)(C)C)(COC)C(=O)O 1904337558 FYQAZMBUBRGVGM-FQEVSTJZSA-N 431.530 2.042 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)[C@H](C#N)C1 2044268058 NJYGADPCFRLESE-QYZOEREBSA-N 442.516 2.076 30 10 IEEE CN([C@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108361918 HUINHONAVZXECI-CJNGLKHVSA-N 435.399 2.117 30 10 IEEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2SC)c(Br)c1=O 2140648319 FAYRHGHYAHATQF-OLZOCXBDSA-N 443.367 2.402 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2221369876 CMDATXHCJIXRSR-NRFANRHFSA-N 430.314 2.280 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247833651 JUZAVNMEXDIKEG-IMRBUKKESA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247907030 UUFOHFJLEFEMAV-CQSZACIVSA-N 437.371 2.475 30 10 IEEE Cc1cnc(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255608603 NPNZBBZOXPDPDF-UHFFFAOYSA-N 431.342 2.381 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2255628154 DOTDOYPKCLOETC-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](C)CN1C(=O)OC(C)(C)C 2255633002 VEUIVLJAKVZMFF-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)OCC12CCC2 2255659771 XBCIDJADSIWQQK-INIZCTEOSA-N 434.342 2.296 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255860804 HLDBUWKGESZGNZ-UHFFFAOYSA-N 437.346 2.243 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256623629 GFWBZYOZYIIPKR-RHSMWYFYSA-N 434.342 2.049 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256627149 SEBMWNLMHZOVGU-WBMJQRKESA-N 438.305 2.338 30 10 IEEE Cn1cc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)c(CNC(=O)OC(C)(C)C)n1 2258963416 SPKWBJVFPQDDHO-UHFFFAOYSA-N 432.330 2.200 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C 2267125062 RFHVZRKQVVDFDV-CABCVRRESA-N 448.373 2.330 30 10 IEEE CCc1nn(C)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267135792 GJIXDRBZQAOYGN-UHFFFAOYSA-N 448.373 2.069 30 10 IEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267141732 MFPYTNNDKXJXJU-OAHLLOKOSA-N 448.373 2.428 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2267143145 DFKWYCKXWXVGSW-RCDICMHDSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2267223572 JYFKBHGKADRWOC-SFHVURJKSA-N 446.353 2.040 30 10 IEEE CN(C[C@H](O)CN(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267268866 ADKSRSJTFPLHGI-GOSISDBHSA-N 448.369 2.286 30 10 IEEE Cc1nn(C)c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267519653 IACCRHQXIFXKGH-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1 2267604935 JPAOLNKLLZNMBF-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267823797 ZIRPAQVHWBFPTC-INIZCTEOSA-N 447.385 2.498 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268643557 KURHVZJDGPGCSY-KSSFIOAISA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCCO1 2268716810 PWKWYHJLJOLFGT-PBHICJAKSA-N 447.341 2.392 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2337205768 DBJHZVBRCUHKEZ-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE COc1cccc(CNC(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)c1 9860346 XJWSNGCOSLLNPD-ZWKOTPCHSA-N 431.539 2.115 30 10 IEEE CCC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10452709 XJOWPTSPYLZXSH-UHFFFAOYSA-N 441.509 2.063 30 10 IEEE C/C(=N/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(C#N)cc1 33400334 GVDOYRFYYPILTA-STZFKDTASA-N 429.458 2.323 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 109937972 WEGOIQZCANKNSR-SFHVURJKSA-N 434.477 2.365 30 10 IEEE COCCn1cc(/C=N/Nc2nnc(SCCCCOC(=O)C(F)(F)F)[nH]2)cn1 253572933 QUCAWFUFUNKMRQ-UFWORHAWSA-N 435.432 2.071 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)nnc12 303911960 MRMXBARIFAFULB-HOTGVXAUSA-N 440.573 2.263 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 435940118 ZRDATIOMOJJRSG-UHFFFAOYSA-N 440.450 2.020 30 10 IEEE COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c(C)c1OC 478599084 FMXVCACQIRRAOF-CYBMUJFWSA-N 433.486 2.198 30 10 IEEE COC(=O)c1ccc([C@@H](NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C(F)(F)F)cc1 481440633 TYEGHAJLUPDYOQ-PKOBYXMFSA-N 440.466 2.359 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F 507526145 DBEDQXFBDXUZNK-UHFFFAOYSA-N 445.467 2.347 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)Cc2cccc(C(=O)OC)c2)nc1C 526861186 LBPOVFAXIYLUAS-GDLZYMKVSA-N 436.511 2.468 30 10 IEEE Cn1ncc2c(N3CCN(C(=O)CSc4cccc(Cl)c4C#N)CC3)ncnc21 541172227 JOHGRDPWHDLCGI-UHFFFAOYSA-N 427.921 2.329 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 549638259 OKODHZHSYVATMT-NRFANRHFSA-N 426.565 2.201 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 549697873 WMJQZZZCLILURB-UHFFFAOYSA-N 448.487 2.250 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 555577187 BZWXAYHECBYOAH-UHFFFAOYSA-N 443.909 2.046 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1 557897542 VQYMGJGYFUPYFL-OAQYLSRUSA-N 448.011 2.324 30 10 IEEE Cc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831156 PSJYDYLLCULFGL-BBBIWNRFSA-N 445.519 2.356 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3C)cc2C1=O 607096685 MJDVYYMFVSTWKL-UHFFFAOYSA-N 439.493 2.470 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1 614903122 VZTALNXSAIUMSD-GOSISDBHSA-N 426.538 2.216 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 679533761 XNJBSBIZEXMVNN-UHFFFAOYSA-N 437.496 2.084 30 10 IEEE CNC(=O)c1cncc(/C=C/C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)c1 732057059 DANQKUQQTXGXCD-JXMROGBWSA-N 443.511 2.151 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665008 SLDNSPYLGYZPFH-UNMCSNQZSA-N 440.569 2.341 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC2CCC(C(N)=O)CC2)cc1 735864378 ZZCUMQVWNVJOHQ-PLRJNAJWSA-N 449.577 2.445 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCCCOc3ccc(S(C)(=O)=O)cc3)cc2C1=O 745205857 BGHVIJUPLXNYJP-UHFFFAOYSA-N 443.477 2.498 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C#N 746784512 FQEHPNZEMNWXJZ-UHFFFAOYSA-N 425.464 2.172 30 10 IEEE COc1ccc(CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C#N 747328064 DEYXJXLBMHAEIL-INIZCTEOSA-N 429.502 2.322 30 10 IEEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(Cl)c(F)c1 755059033 JPXUNXIUSSOXNK-JFNVISDNSA-N 435.887 2.050 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 763607980 VIQWEQJYUNDKGD-BRWVUGGUSA-N 443.552 2.214 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccn(-c2ccc(F)cc2)n1 767628352 QUWHDTKWUQVXNT-CQSZACIVSA-N 428.445 2.293 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 774240586 LJFAORLQJKCZIO-HXUWFJFHSA-N 443.500 2.410 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c1=O 780284225 CFZWANUKNSDVKO-UHFFFAOYSA-N 448.523 2.352 30 10 IEEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)c1 784499042 GHLRXQMUMKVQHM-FHWLQOOXSA-N 425.514 2.132 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2cnn(C)n2)cc1 807934124 HDYZNYQTXJEZRP-AWEZNQCLSA-N 440.451 2.324 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)c2cn3ccnc3s2)cc1Br 809125318 LNWWONCADFOSOX-UHFFFAOYSA-N 429.252 2.288 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 809926705 PZGTYLYYIMKENN-AEFFLSMTSA-N 443.552 2.500 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCc1ccc(-c2csc(C)n2)cc1)c1cc[nH]n1 1135776118 ZYKTWOSUCAAMEU-UHFFFAOYSA-N 441.513 2.484 30 10 IEEE Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1142437692 AKCVJGVFIZHPHG-WMLDXEAASA-N 435.546 2.237 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1160145078 BZCZSVVUQWNZFO-OALUTQOASA-N 444.553 2.396 30 10 IEEE Cn1c(=O)[nH]c(N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c(C#N)c1=O 1163105624 CMCHRTMAYMHKHI-INIZCTEOSA-N 426.274 2.499 30 10 IEEE CC(C)(CO)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1 1163443518 ZCPVGXNBVRQJRA-QUCCMNQESA-N 435.484 2.034 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CCO2)cc1 1198218613 HUWVQGNXCONNHB-JOCHJYFZSA-N 435.484 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1225937235 IILCADZREZQFDL-OKZBNKHCSA-N 439.520 2.298 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1254641288 HBHHZGJACADFRG-JOCHJYFZSA-N 432.613 2.348 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cc3ccc(OCc4ccncc4)cc3)CC2)c1C#N 1269302917 GHHDHZUCXHLTKB-UHFFFAOYSA-N 430.512 2.466 30 10 IEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1286395614 SEEPCIHCWJAWHU-FXAWDEMLSA-N 442.541 2.384 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(C)c2)CC1 1286485045 BFXJAVBWEHGSEM-FPOVZHCZSA-N 427.524 2.253 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2nnc(CC)s2)CC1 1286494551 VIJBWQVYOPOPCE-UHFFFAOYSA-N 429.594 2.295 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286507362 YYNQTQKZTHSEPG-HKUYNNGSSA-N 430.578 2.333 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286700304 ZCXNSKGMQHLCNS-TYPHKJRUSA-N 430.597 2.127 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286706851 VFHCLYYKWINGSW-QZTJIDSGSA-N 427.553 2.437 30 10 IEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1286710153 OCHHUBZTLRKFSY-MRXNPFEDSA-N 440.504 2.038 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1Cc2ccoc2CC(C)(C)C1 1286779529 JDPACJKQQUQIRL-INIZCTEOSA-N 431.537 2.486 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nccs2)C1 1286790123 NXMSNHGCAOMHQQ-OAHLLOKOSA-N 430.559 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CC1CC1 1286819846 XULGLAOCEHRUBS-UHFFFAOYSA-N 442.545 2.431 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1287048265 SJCLQSXIFOHTOD-FUHWJXTLSA-N 446.552 2.300 30 10 IEEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1291052594 VVJNYJXZNZALPC-IAGOWNOFSA-N 446.577 2.293 30 10 IEEE CCC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1293878224 WCKPYDHPGFQPCU-HRAATJIYSA-N 431.562 2.239 30 10 IEEE CCn1cc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCNC(C)=O)CCO2)cn1 1295901466 JJYCWACQXNRYRT-NRFANRHFSA-N 448.531 2.137 30 10 IEEE CN(CC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298250440 WAXHLUAOXCUATP-YZGLPLCXSA-N 428.415 2.045 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 1298839701 RPWAOAGBNPIVSN-SJLPKXTDSA-N 443.610 2.202 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 1299999718 SKSMGEFKTXWABX-OPAMFIHVSA-N 428.489 2.329 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1 1300118904 KQCVBHHOTNRMHG-SIKLNZKXSA-N 429.496 2.319 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300336864 PGRSMAXPWZPOIV-OAQYLSRUSA-N 435.594 2.015 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCOCC1 1300655393 WFNQLLDMZHQIGC-UHFFFAOYSA-N 434.924 2.235 30 10 IEEE COC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301013441 WXZYORALPYTDTP-SFHVURJKSA-N 434.500 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301484310 DWZJGLJCSVIDDC-OAHLLOKOSA-N 447.465 2.192 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](OCC2CC2)C1 1301578972 LDEUEKZSNUDTSN-SFHVURJKSA-N 433.578 2.280 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1301969531 YMRQGCFUKPKHML-BRWVUGGUSA-N 444.502 2.421 30 10 IEEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1304489805 BJYRFWHCNCCQEM-QGZVFWFLSA-N 444.582 2.404 30 10 IEEE Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)n[nH]1 1304684107 CQLMGUXWFXUCBN-UHFFFAOYSA-N 434.552 2.129 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1314622113 TVNCECAPGWJNRW-KRWDZBQOSA-N 441.561 2.086 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1316341538 IJLPTADCXSPEQU-UHFFFAOYSA-N 431.543 2.457 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1358967906 VIRILLRHELQHAH-QGZVFWFLSA-N 430.530 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1(CS(C)(=O)=O)CC1 1358981659 SIAPRLWIYMKWQV-UHFFFAOYSA-N 435.553 2.179 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CC1(C(N)=O)CCOCC1 1358997540 WPTKDQAMDZQXKI-UHFFFAOYSA-N 444.539 2.026 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359026459 YUHPSJMNXGSOMT-NFBKMPQASA-N 425.533 2.078 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC(F)(F)F)CC1 1359044634 KQZXZGSWLIIPCA-MRXNPFEDSA-N 443.470 2.412 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1359060126 LMJKUCHSWLUMAM-IBGZPJMESA-N 443.548 2.484 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359062712 QHZDVZNOVVKNEB-GVDBMIGSSA-N 433.578 2.204 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359095230 LRBGTOIKNQUDFK-AQNXPRMDSA-N 441.557 2.421 30 10 IEEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359204655 WWJOMDPGNXHPFN-UHFFFAOYSA-N 432.613 2.204 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1359231352 UFKMDGCMDKJTBZ-NSHDSACASA-N 433.456 2.299 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359472669 OILBCVSPEGHWAS-IAGOWNOFSA-N 443.552 2.370 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1359492288 HKBGWKKCSOMQNU-LJQANCHMSA-N 447.547 2.412 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 1463169176 DDGFGTPJQCEVBZ-LJQANCHMSA-N 427.526 2.186 30 10 IEEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1S(N)(=O)=O 1463708704 GGSMHXFYJLBCLV-ZDUSSCGKSA-N 432.889 2.159 30 10 IEEE CC(=O)c1cccc(C#N)c1OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 1473078777 LBJVWLAJNDMDFK-UHFFFAOYSA-N 430.482 2.240 30 10 IEEE COCc1n[nH]c(CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1478931107 DYEXXRHHLVTRCH-RNFRBKRXSA-N 437.291 2.264 30 10 IEEE Cc1nc(Cc2nnc(N(C)CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1492667433 FQPSLOOMJRKWFP-VHEBQXMUSA-N 427.534 2.006 30 10 IEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1497175591 QUIIZGNREGNIDD-AITUJVMLSA-N 446.577 2.057 30 10 IEEE CNC(=O)c1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)c1 1503741222 WTIMYDMVXWZDRN-CQSZACIVSA-N 435.488 2.010 30 10 IEEE COCc1nocc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1504658792 GLYQHNQYOSBAPC-GOEBONIOSA-N 442.451 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1507526208 LKCPMQBRTYFHIQ-WBVHZDCISA-N 430.530 2.142 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCc2n[nH]c(C)n2)c1 1507551681 YJBQVRUBWXZKMT-IBGZPJMESA-N 448.531 2.245 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ncccc1Cl 1507618244 KWCWUWBTSDZCRS-UHFFFAOYSA-N 430.921 2.466 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCSCC2)cc1 1507657683 WQHBBVNBRNEOHX-UHFFFAOYSA-N 448.596 2.075 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1507748181 NLUJJHVLCPQVOZ-WBVHZDCISA-N 430.530 2.280 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507843813 VEKAXFFEBUEJDY-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1507877648 MKTRAERCYPJTEH-UHFFFAOYSA-N 437.504 2.272 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1508013545 PAGWNOBNHUIAKS-DCLXLUIPSA-N 442.608 2.340 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)NC2CC2)CCOC1 1509805524 SAJVEHLIHGTXQH-QFIPXVFZSA-N 430.553 2.117 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(Br)ccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1536179359 HWRVTXFSOFACBX-VFZGTOFNSA-N 435.246 2.061 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539071930 HHUCETKGBBHRAQ-FUHWJXTLSA-N 430.578 2.231 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 1539124452 GLPWHWVHMDLPHV-GOSISDBHSA-N 435.594 2.185 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@](O)(c1ccccc1)C(F)(F)F 1539291743 XEJITJHKNJGCAM-NRFANRHFSA-N 447.461 2.329 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1539447438 SAPTVOMJOKUGFG-LJQANCHMSA-N 446.596 2.232 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)C1 1540547974 IFSRETZITLWRSZ-UHFFFAOYSA-N 449.330 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CC2)CC1 1541200281 AZYDMBTZGGQWST-FQEVSTJZSA-N 434.516 2.359 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nnc3n2CCCCC3)CCOC1 1541715869 UBJQBPRJSMZFPB-HTAPYJJXSA-N 442.568 2.423 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)cc(OC)c1OC 1542479395 JZAKTLSJTSLVAA-OLZOCXBDSA-N 429.395 2.194 30 10 IEEE Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)cc1C 1542485136 QCVALZUPDHNHGR-UHFFFAOYSA-N 441.513 2.222 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1548000887 HVVUMVHHKSADGL-XGRCMKMKSA-N 445.495 2.238 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H]1CCCCO1 1548169241 DHKPBRPPQQZCKG-SFHVURJKSA-N 442.568 2.014 30 10 IEEE COCC1(C)CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555285729 FNDRXKPPMZDORD-ZZEZOPTASA-N 439.520 2.053 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CCCCn3cnc4c(N)ncnc43)CC2)c(Cl)c1 1556401607 OLENKHCNVPFGLX-UHFFFAOYSA-N 438.923 2.453 30 10 IEEE O=C([C@@H]1CCc2nnc(O)n2C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633561 DDRRJIVZKRGCBV-BWZBUEFSSA-N 434.287 2.176 30 10 IEEE C=CC[C@@H]1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1586894210 JYAPIRFUAFFPDX-OAHLLOKOSA-N 425.507 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(=O)NCC)cc1 1587556380 NVQMCDKZPJMDPC-MRXNPFEDSA-N 431.500 2.181 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588029289 FSMLPXYUBQTXDH-HFJQGTKSSA-N 442.585 2.252 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCOCC1CCOCC1 1588314896 UMGOTDHRNKJTBN-UHFFFAOYSA-N 429.521 2.299 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1588388302 ZXPBRHNMBMBAPP-QRWLVFNGSA-N 436.965 2.201 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1589150714 JIHHZDXPNRRUDD-WHSLLNHNSA-N 429.546 2.057 30 10 IEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1)c1ccccc1 1594534489 LJPJQLAPDGQHAP-AEFFLSMTSA-N 433.578 2.473 30 10 IEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1)c1ccccc1 1594534640 NCNJQGVELPNXFD-MJGOQNOKSA-N 433.578 2.475 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1595602275 ITTDBEPBBDJSDS-JTSKRJEESA-N 435.569 2.016 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C2CCCCC2)CCOC1 1610902136 HBLDRZYWKDWXET-AJSBUHFISA-N 447.580 2.379 30 10 IEEE N#Cc1c(NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)ccc([N+](=O)[O-])c1N 1612345008 GEODKYDNDONOOK-HNNXBMFYSA-N 427.436 2.317 30 10 IEEE Cc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612612206 SJHOQAXAMFKOOQ-ONNQFXDFSA-N 442.907 2.344 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1614974406 BFJYKSUBQDGNEK-GOSISDBHSA-N 432.532 2.145 30 10 IEEE C#Cc1cccc(N(C)C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1615691588 BGMRBJPAKIJVRP-NEWSRXKRSA-N 432.542 2.301 30 10 IEEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCN(CC(F)(F)F)C1=O 1617039265 XMJLMZUMPGLNFD-HNNXBMFYSA-N 431.455 2.259 30 10 IEEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](CO)CC(C)(C)C 1617953857 AIZPTKFAHPPPDE-MRXNPFEDSA-N 429.521 2.184 30 10 IEEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)cc1 1619233978 DYQYRCOAXQYQRJ-DEOSSOPVSA-N 438.576 2.269 30 10 IEEE CS(=O)(=O)CCOCCn1c(CC2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1620167176 AUDJSYFZGFZWFK-UXHICEINSA-N 443.573 2.035 30 10 IEEE C[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1623603341 XQODXWPQJFZQKD-WIYYLYMNSA-N 444.576 2.456 30 10 IEEE C[C@@H](CN1CCOCC1)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1624578732 XCYWUXZFLVNIOA-OXJNMPFZSA-N 428.533 2.229 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1626112549 YVYNHKRZNCLMSN-AEFFLSMTSA-N 437.562 2.166 30 10 IEEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1 1627848366 LDSASKAUFGRUGE-UHFFFAOYSA-N 437.315 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N3CCO[C@H](C#N)C3)c2C(F)F)CC1 1628105494 XTIUHZUEXHWVPI-CYBMUJFWSA-N 440.451 2.152 30 10 IEEE Cc1ccc(C(=O)Nc2ccnc(OCC(F)(F)F)c2)cc1S(=O)(=O)NCC#N 1629103444 FIARWCKEEKHANC-UHFFFAOYSA-N 428.392 2.385 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1632287277 CLSZWMUKXKOOOZ-QGZVFWFLSA-N 439.553 2.154 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H](C#N)C3CCCCC3)CS(=O)(=O)[C@H]2C1 1634685574 HTGYPQUEXRKIAL-BDXSIMOUSA-N 439.578 2.245 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)n[nH]2)c1C 1635387010 CSELXMSSFRZPEQ-UHFFFAOYSA-N 431.500 2.495 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)nn1 1636331235 WSLMXJOOXGQKNK-UHFFFAOYSA-N 429.525 2.427 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1636700854 YGKCIIAAQZNCAH-KRWDZBQOSA-N 428.346 2.149 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1640555779 YBNJMKKYAAIGOP-KUHUBIRLSA-N 441.488 2.335 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H]1C 1649539966 SVMYIVODVZUTEW-IAGOWNOFSA-N 443.621 2.489 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(c3nc4ncccc4cc3C#N)CC2)cc1 1651912676 PCSSFMCEFJYYCZ-UHFFFAOYSA-N 441.538 2.487 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1655044546 GWIFLFGIAQJDFL-IRLDBZIGSA-N 447.601 2.447 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccnn3)CC2)n(Cc2ccc(F)cc2)c1C 1655159418 PTTDACUJNWXSNN-UHFFFAOYSA-N 448.506 2.110 30 10 IEEE C#C[C@@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1 1664580147 QSLBOTXMYLKGQI-OAQYLSRUSA-N 434.558 2.383 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)ccc1Br 1666467151 FVVUXJUMFISVNI-ZDUSSCGKSA-N 426.336 2.248 30 10 IEEE Cn1cc(Br)c(=O)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1670623899 DUUSCJVEDNXZGW-JQWIXIFHSA-N 440.298 2.028 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C(=O)OC 1670894481 YLNOVQFRQOCERC-ZLOXQWCVSA-N 439.353 2.248 30 10 IEEE CSc1ccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N 1676035615 SDVUVTQMUIXCRZ-QGZVFWFLSA-N 440.525 2.404 30 10 IEEE C#CCC1(O)CCN(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1 1680119754 BORAOJWPOUTYGS-UHFFFAOYSA-N 436.350 2.346 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 1683230477 UCVAGLUXVHLUBM-ROUUACIJSA-N 433.553 2.368 30 10 IEEE COc1ncc(Br)cc1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1683949092 IUSPFTKOKRNKHZ-UHFFFAOYSA-N 431.294 2.151 30 10 IEEE C=CCn1cc(CNC(=O)NCc2ccc(Br)cc2N2CCOCC2)nn1 1685508331 CKSBNPZVHQRPRC-UHFFFAOYSA-N 435.326 2.063 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1689848004 MTANNWDNNOIIOC-AWEZNQCLSA-N 442.545 2.265 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992006 FVWUMLVYTHVIQN-DENIHFKCSA-N 430.574 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1690048805 OYVLYEILJIJELN-SFHVURJKSA-N 443.548 2.086 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC)CC1 1690124166 GTEDAQCYRQLVBX-IBGZPJMESA-N 446.596 2.184 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(C(=O)NCC)CCC2)CC1 1690128703 IIZAOHDBIGSUFJ-UHFFFAOYSA-N 438.551 2.070 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@H]2CCOC2)CC1 1690140336 VGBIGGGXURDCHS-SFHVURJKSA-N 437.544 2.346 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1690175316 UQKBLMGSSVXULX-CRAIPNDOSA-N 428.514 2.156 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1690190554 YPBAFKOATDQLBS-WAWZGNHOSA-N 434.566 2.289 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690507350 KIHPKYVUOQUISS-KRWDZBQOSA-N 445.593 2.222 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCCC2)C1 1690676329 WWGWGSILESXMLU-UHFFFAOYSA-N 441.532 2.317 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)nnc1C(C)(C)C 1690676843 GKEFPDBHGSBFLF-QGZVFWFLSA-N 443.527 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(CCC)CC1 1690731590 MZHVJUCSZCOGHC-GOSISDBHSA-N 425.599 2.041 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(N(C)C)CCOCC1 1691871441 TYZNFMBLAISOKK-UHFFFAOYSA-N 438.580 2.106 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccccc1F 1692522163 LRLZKTXYWVBZRW-UHFFFAOYSA-N 449.490 2.333 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)O1 1694424163 APBYDTDFAKQUHX-GHTZIAJQSA-N 446.577 2.150 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)C[C@@H]1C 1697077031 RTOHCMCCQCLHQI-INIZCTEOSA-N 434.504 2.299 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697660695 MYCIRPRGCIYYFO-DSGGYQJVSA-N 440.479 2.226 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1697776552 SMEVFXZDEAQCED-UXHICEINSA-N 439.495 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1705501149 WQIJBSIEPKBOQZ-LBNMDVIHSA-N 443.511 2.265 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2ccn(C)n2)c1 1705505096 IIIKYHMGHYZTKF-UHFFFAOYSA-N 426.484 2.178 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705701274 FVJCMVARSDSGHD-JQVVWYNYSA-N 444.624 2.247 30 10 IEEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705808271 GJMXQJCHBQEKBV-HNNXBMFYSA-N 438.623 2.460 30 10 IEEE CC(C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706204016 SAKXJCHSLSQABM-UHFFFAOYSA-N 440.454 2.453 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2([S@](C)=O)CC2)CCOC1 1706669835 VOSGXYFSEFVRCQ-DFXYEROKSA-N 435.594 2.360 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711508698 VXHQVAIUAUTWNJ-INIZCTEOSA-N 448.487 2.481 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1712090358 AWTXOWMYPYLSSL-XAUMDUMWSA-N 430.440 2.347 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)cs1 1712224888 HOVWFGFBSWFXEK-CQSZACIVSA-N 437.529 2.135 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1722332823 DMNAFHNXIADDTN-IBGZPJMESA-N 437.548 2.255 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722370584 CPSUOJUIGPENFA-LJQANCHMSA-N 449.646 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(NC(C)=O)nc1 1722387799 YZUWSVKPDAWLOV-UHFFFAOYSA-N 439.479 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1722402554 CRDAPECUZQGHQZ-IUVFILBMSA-N 426.561 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722445212 MOAQTWGXKSCLRK-HXUWFJFHSA-N 448.571 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1722449266 PAKDAQFDRHXZTD-HOYKHHGWSA-N 438.576 2.027 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CCCO)CC1 1722502459 IQNNUBBIPPASCO-UGKGYDQZSA-N 431.581 2.371 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722526579 YOXWJTBQVITHKS-IXDOHACOSA-N 430.553 2.246 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722572918 IOXFDFBHQTWAJG-UHFFFAOYSA-N 442.539 2.317 30 10 IEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1722594583 OOIKWDWPOBMEOJ-HXUWFJFHSA-N 449.559 2.334 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1722617905 NVKTXDZRGPERCQ-GOSISDBHSA-N 445.589 2.482 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722625119 NZACBNHGKOKTDK-SFHVURJKSA-N 435.532 2.390 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722694682 DSKIAFNAXDJWPW-MFEFFIJZSA-N 441.532 2.029 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1722706473 TWSTWIJYABAGTA-GOSISDBHSA-N 442.539 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)cc1F 1722728531 WOZJFZFYCCLBQZ-UHFFFAOYSA-N 436.488 2.194 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1722739170 AYVSQWBSCMBNGA-UHFFFAOYSA-N 439.545 2.182 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1723064966 KHMMDFWYKFIEIE-FQEVSTJZSA-N 432.532 2.340 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)CC 1727004958 CFUSBSWQSQPALN-KRWDZBQOSA-N 430.578 2.425 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1728945419 HQOAAVRUWIKBEA-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE COc1cccc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1730240693 CGYJICSMHHUAAQ-REWPJTCUSA-N 441.532 2.299 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCO[C@H]1CCOC1 1730950104 ZQDMTRLAVJNMGC-OZIGNCPNSA-N 433.553 2.328 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740620983 JDHMNRHJRMFLKS-QGZVFWFLSA-N 447.580 2.299 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1740622554 ZLDBQZSIIYGOSS-MRXNPFEDSA-N 444.948 2.007 30 10 IEEE C#CCN(c1nnc(COCC)n1CCC1Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1740627975 MCMWQLSAPYGANK-NRFANRHFSA-N 442.585 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)CCOC 1740652470 AIWLGPUIDQBVDW-XMMPIXPASA-N 432.528 2.381 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cc(F)c(F)c1F 1740678246 GQWTUHHMAWZYSN-UHFFFAOYSA-N 439.413 2.205 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCC(=O)N(CC)CC)CC1 1740693655 GXGMIRWKJMBAFL-UHFFFAOYSA-N 426.540 2.488 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1740725212 IUYOYLHZSGHXIF-FGZHOGPDSA-N 428.537 2.499 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740817986 ZVFGRCOUCKUIEB-XWSJACJDSA-N 439.988 2.302 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740886030 UIRCIVYUNQOGJJ-QUCCMNQESA-N 441.580 2.252 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740888234 RKDXWTZKAOATLZ-PGRDOPGGSA-N 427.505 2.085 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1741002094 FYFKRXOFJYZROR-MSOLQXFVSA-N 439.651 2.164 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1741802406 IDLFGCSIYSLUPJ-CRAIPNDOSA-N 445.545 2.354 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC=CCO3)CC2)c1C#N 1742670137 XGCGYODCARXVEC-GOSISDBHSA-N 438.580 2.452 30 10 IEEE CCCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c(C)n1 1745483485 HTGSTJWCJYDGBZ-SFHVURJKSA-N 445.593 2.274 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cn1 1748007047 WGWZWMNXLTVCQE-OAHLLOKOSA-N 446.284 2.357 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1748710531 SMMIUQOGMQGRAB-NRFANRHFSA-N 441.624 2.028 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1748718639 RMEFFFIIVGJHJE-JTSKRJEESA-N 446.548 2.221 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(Br)n1 1748855467 ATCSDMJQPBRIBS-UHFFFAOYSA-N 438.333 2.418 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC=C 1748949611 FZGICICPFQZXLN-UHFFFAOYSA-N 432.322 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC=C(C)C)CC1 1749001434 QZXCHRSSMNXXRO-UHFFFAOYSA-N 435.532 2.248 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1749031789 JHWVSBVFAFGCHQ-UHFFFAOYSA-N 432.557 2.243 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749255663 GQQCQKGTVSGIMN-CABCVRRESA-N 438.893 2.215 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1749384817 IAPMTGSSDNJZPA-RTWAWAEBSA-N 439.560 2.437 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749415001 LWTJXLPETLUFGV-GOSISDBHSA-N 431.562 2.420 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749669285 FYYYOPVPOQAMMD-KRWDZBQOSA-N 445.955 2.197 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749689157 AELNKWHODSGFNB-UHFFFAOYSA-N 438.576 2.415 30 10 IEEE CS[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750239764 KIQNCULDZKUYRH-ZACQAIPSSA-N 442.593 2.300 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1760222966 FPIQSNJKJNACQS-UHFFFAOYSA-N 444.543 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nncn1C 1760253406 PYNFXOQEGWVTKP-UHFFFAOYSA-N 437.548 2.417 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1760262757 ZHLCEHAIXPFKNW-QHCPKHFHSA-N 447.562 2.461 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C)cs2)CC1 1760264492 QEDYPAYEPPYMJE-UHFFFAOYSA-N 438.557 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@H](C)C1 1760289138 MMZCPTYKAKNKFN-RYLXDESZSA-N 436.626 2.001 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@H]1CCCN1S(C)(=O)=O 1760478469 JDNZLSMOYVFAIW-GOSISDBHSA-N 433.578 2.466 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760564284 UQIQNCLVBXEANF-UHFFFAOYSA-N 426.550 2.273 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1764524095 SVROLPLZUDXFNZ-UHFFFAOYSA-N 437.548 2.086 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1764552881 ACTBNCUQKWGYNU-BJLXPSRBSA-N 429.546 2.059 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1766159756 JGPGRZOUUYLMPH-LWZIIBGRSA-N 447.580 2.379 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1766615920 ARMJWARYJKEMHH-IBGZPJMESA-N 438.532 2.356 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1766823172 OPYBFHNHRYWYDS-JFWRZSAESA-N 444.536 2.051 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1768243162 GDVRKHUAOKUYNB-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1770727933 KNTRHGOYGAWGRF-VGSWGCGISA-N 437.454 2.265 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770787060 RRWWGBSEVPHRQO-QGZVFWFLSA-N 438.463 2.473 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC(COc3cccc(C#N)n3)CC2)cc1 1849552830 WFMZXIDXKROXQY-UHFFFAOYSA-N 443.525 2.443 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1851267835 QFPXTMLKGUNWFD-CYBMUJFWSA-N 441.435 2.356 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852234491 CBJZDDKPZYYEPC-GOSISDBHSA-N 429.521 2.018 30 10 IEEE Cc1ccc(-n2c(C)nn([C@H](C)C(=O)N3CCN(c4ccccc4C#N)CC3)c2=O)cc1 1852397176 MDQUYEDOJOJQBB-GOSISDBHSA-N 430.512 2.432 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)N3CCC(C(=O)Nc4onc(C)c4C#N)CC3)CC2=O)cc1 1853239403 KBIRNRJKOUSNAZ-LJQANCHMSA-N 449.511 2.389 30 10 IEEE CCc1ccccc1N1C[C@@H](C(=O)N(C)c2snc(N3CCOCC3)c2C#N)CC1=O 1853286833 WYZZMDCRZGCYJA-INIZCTEOSA-N 439.541 2.430 30 10 IEEE Cc1c(CN(C(=O)c2cnc(C#N)nc2)C2CCN(C(=O)c3ccccc3)CC2)cnn1C 1853406023 ZQSIANLUPDGXIG-UHFFFAOYSA-N 443.511 2.337 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)cc1C#N 1856471274 WFHAITQCYBCNCF-FQEVSTJZSA-N 429.542 2.040 30 10 IEEE CCn1nc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(OC)c3n2)ccc1=O 1859655975 ITBDCHKBFBCFGR-UHFFFAOYSA-N 429.440 2.438 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862562230 AURBRWVRBQOWQH-IBGZPJMESA-N 449.423 2.427 30 10 IEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873594508 UVNJCCLEJJNXIM-ROUUACIJSA-N 426.565 2.162 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccnc1 1874434514 JGGXYCGCGOGGMH-AUEPDCJTSA-N 434.485 2.133 30 10 IEEE O=C(NCC#CCN1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1890648541 DCRGFGPJUHOJPO-LJQANCHMSA-N 435.565 2.222 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1986020556 UASMIHSTGVJERF-GJZGRUSLSA-N 427.542 2.332 30 10 IEEE COC(=O)[C@H](CC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2010402365 PXNGFVIXQIEVIM-RUXDESIVSA-N 426.319 2.184 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124531356 DAAAMWHWWAKFFH-LDKKBFSKSA-N 444.341 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124540675 KGSPKUYKTYLHMC-ZJIFWQFVSA-N 444.341 2.264 30 10 IEEE COCCCN=C(NN)Nc1ccc(Br)cc1I 2223522371 GMKOAZMHPFBSIL-UHFFFAOYSA-N 427.084 2.321 30 10 IEEE CC(C)(C)OC(=O)NCCCN1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2232271368 RBCDKTKSPSMTAZ-UHFFFAOYSA-N 446.401 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2247840714 RFCSRXAPOZDWJY-MPBGBICISA-N 435.355 2.182 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2255653610 LGKZZHOOEQKZQK-SHTZXODSSA-N 431.342 2.475 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]2(C)CCOCc2ccccc2)n1 2267104997 FVTIDXMQEQHPNX-HSZRJFAPSA-N 440.353 2.326 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267267703 LTJSRQFIDBOAGK-CQSZACIVSA-N 446.357 2.294 30 10 IEEE COC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CN(C(=O)OC(C)(C)C)C1 2267285107 FGZYTDLVUNUQKR-UHFFFAOYSA-N 449.357 2.070 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267493963 BACFHSKGBYGOMD-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267533333 QXQKYGYBSHYBMT-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE Cc1cnc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267570721 DBRZZIGDUBERPA-UHFFFAOYSA-N 443.353 2.382 30 10 IEEE CN(CC(C)(C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267882311 QPNLCTNOOIMFTF-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268708573 CNJHIKZUYJDNEF-SFHVURJKSA-N 448.369 2.220 30 10 IEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2271460056 CSYWVTRXHUTSFU-QGZVFWFLSA-N 444.341 2.213 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2271964280 ZFBLTQAYMCSIKL-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(O)[C@H](N)C#Cc1ccc(Br)cc1 2278790990 PVPGNPFZRRWROS-MDZRGWNJSA-N 425.323 2.173 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1OC 2296099247 XMCVEFJSELXDDQ-FQEVSTJZSA-N 425.485 2.472 30 10 IEEE CC#CCN(CC(=O)NCC1(O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2300542924 FIKYBGBJHVBZRO-UHFFFAOYSA-N 429.561 2.390 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc3c(c2)OCCO3)CC1=O 2329045103 AEZNEDASFXTOPZ-INIZCTEOSA-N 445.545 2.130 30 10 IEEE C[C@H]1C[C@@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1Cc1ccccc1 2337293697 GALQINAPEMMSCN-PKOBYXMFSA-N 438.381 2.454 30 10 IEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)c1ccccc1)c1ccccc1O 254865882 QDPSOOIGEPAXSZ-KRWDZBQOSA-N 434.456 2.111 30 10 IEEE C=CCN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1nc(C(=O)OCC)cs1 409822242 FSRQLGNROXOOGB-UHFFFAOYSA-N 434.518 2.436 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 443330322 CALSQWIEDYBSGA-UHFFFAOYSA-N 432.546 2.246 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cn1 462103186 QMNJMYGOVJOEJT-UHFFFAOYSA-N 431.500 2.417 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475755638 IAAHBYYNNOWKDE-XOBRGWDASA-N 430.530 2.492 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C[C@@H](CC#N)c4ccccc4)CC3)C2=O)n(C)n1 476653367 DITBANXLSBMGJN-FGZHOGPDSA-N 448.571 2.456 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@@H](c4cccc(O)c4)C3)C2=O)cc1 484931476 BXRCPOXYYWZQAU-WOJBJXKFSA-N 434.452 2.069 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cc1 487880981 NBKADGLSKJVJIX-IBGZPJMESA-N 431.489 2.168 30 10 IEEE CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 489090937 XLSMMHLOYNACRS-UHFFFAOYSA-N 434.905 2.294 30 10 IEEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)c2)CC1 502740718 VIRCDMZBCRQIPW-QGZVFWFLSA-N 442.541 2.290 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 503624954 LYNIWVJYKKSNDA-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1 504694297 GNMQCOABGCTONY-UHFFFAOYSA-N 433.555 2.395 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cc3occc3s2)CC1 508862526 FCBWGQRSIJYOKH-OAHLLOKOSA-N 429.502 2.322 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 508887779 KIUXPSRYOCPJFT-WMZOPIPTSA-N 448.593 2.428 30 10 IEEE COc1cc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)sc2cc1OC 531750890 YAAIVNWVWDKTRY-NSHDSACASA-N 446.510 2.491 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 532922579 BNXRPKJANDWFMX-JOCHJYFZSA-N 440.931 2.360 30 10 IEEE CC(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1nnc2ccccn12 542544723 MCOSPHFQMVYYME-UWJYYQICSA-N 437.573 2.487 30 10 IEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 558995439 CLNCIXLILBAHHB-KRWDZBQOSA-N 436.520 2.274 30 10 IEEE COC(=O)c1ccccc1NC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586275883 RGNNIMMHYZAPBQ-SSEXGKCCSA-N 445.522 2.221 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)OC(=O)c3ccc(-n4cnnn4)cc3)cc21 586322831 FDILHIKWGDEEFG-CQSZACIVSA-N 433.424 2.002 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)cc1 612193494 OKHYROOITQFSCM-FQEVSTJZSA-N 446.528 2.483 30 10 IEEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 670234584 NRWWKLCNPGTHDG-GHTZIAJQSA-N 425.581 2.239 30 10 IEEE C#CCN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 729333567 ZGBCLTJCSKEQAE-HNNXBMFYSA-N 428.432 2.095 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccnc(C)n2)c1 730139955 DGKYPRKSSKGZPB-IBGZPJMESA-N 440.573 2.293 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 734294047 ZUJWMFNSOTWEAP-UHFFFAOYSA-N 435.527 2.014 30 10 IEEE CCn1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)c2ccccc21 735769545 LXGDBPZWBMVELQ-QGZVFWFLSA-N 431.452 2.079 30 10 IEEE N#C[C@H]1CN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757321896 MIMHKJKAMXLTDK-BTYIYWSLSA-N 449.463 2.119 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760405777 MQIDSRVTYFQXBH-UHFFFAOYSA-N 441.575 2.251 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2C1=O 761378990 UUWHMTIRCBPDAU-KBXCAEBGSA-N 443.500 2.223 30 10 IEEE Cc1cc(OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)ccc1C#N 766066997 GFAREWBAQPSAGG-NTEUORMPSA-N 425.510 2.390 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 769716580 MJPCYTNTQAWZLQ-DPDCMNJDSA-N 431.242 2.042 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCCOc2ccc(C#N)cc2)C1=O 771447524 ROYJKBJPUDTNNA-HSZRJFAPSA-N 437.452 2.265 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1cc[nH]n1 772119542 BYXVGDJHTFKLKB-UHFFFAOYSA-N 436.415 2.042 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 777757304 XIYVHNVBUNZPOX-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccc3ccccc3c2)cc1 783635317 GEWXZOIDRHOZQU-OAQYLSRUSA-N 436.489 2.395 30 10 IEEE O=C(NCC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)OCc1ccccc1 787784635 AZTAKWPKJJEVDD-QURGRASLSA-N 440.500 2.068 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCCCC2(C#N)CCOCC2)C1 800122474 IMRKCZZEDHICRM-KRWDZBQOSA-N 439.534 2.336 30 10 IEEE CN(C)C(=O)[C@H]1CC[C@@H](Cn2c(-c3cnn(C)n3)csc2=Nc2ccccc2C#N)O1 803180368 HJZDMGMGDIAJDJ-HNAYVOBHSA-N 437.529 2.085 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191707 FUWQLJJEEKZPPE-UHFFFAOYSA-N 445.570 2.348 30 10 IEEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccccc2)n1 807930312 IQEBAVSKJGBMKK-CYBMUJFWSA-N 426.424 2.015 30 10 IEEE CSc1ccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cc1 916777638 NRWQUEMVIAGTIK-MRXNPFEDSA-N 429.523 2.279 30 10 IEEE CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@@H]1NC(C)=O 1083524772 GQESMUJMZIWSMJ-KVEDYDLGSA-N 431.570 2.174 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)[C@@H]1CCS(=O)(=O)C1 1125953427 GGFYSVLPTKFTAL-QGZVFWFLSA-N 432.546 2.432 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1153263082 ZKMHIKUSQPBXRW-IBGZPJMESA-N 441.528 2.455 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1153263083 ZKMHIKUSQPBXRW-LJQANCHMSA-N 441.528 2.455 30 10 IEEE Cn1cc([C@@H]2C[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCO2)cn1 1159682555 IFDZDSLXGVPEEH-GMBSWORKSA-N 427.892 2.335 30 10 IEEE C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)C(=O)OC 1161365756 XOKMEERFARSEFS-BBRMVZONSA-N 439.281 2.122 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1cccs1)C1(CO)CCC1 1163484392 CCKIPMVNDBXELS-KSSFIOAISA-N 433.555 2.307 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286388283 MYVNWOGORIZCTH-HDMKZQKVSA-N 430.530 2.170 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2COCCO2)CC1 1286474640 OHIFHKBUZBBUQO-SFHVURJKSA-N 445.951 2.168 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286524094 DNNSQCTXLYWYMA-YLJYHZDGSA-N 433.603 2.204 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286607876 KXIMBOPTXIVURG-UXHICEINSA-N 432.613 2.250 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286629212 OMWVFYYAUWDKOM-SFHVURJKSA-N 436.988 2.059 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS(=O)CC1 1286782220 OMMCSSFUTTZQKA-UHFFFAOYSA-N 433.603 2.146 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286791154 UWQUKZCNCCVEBZ-SFHVURJKSA-N 435.532 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1286814344 QBVWAEXQIWCFRY-CVEARBPZSA-N 432.550 2.009 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1286820970 WRNWBZVLNSYBJH-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C[C@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCO1 1289339290 NQMVHOSRNKQIRD-QFIPXVFZSA-N 425.510 2.188 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1289343042 JVIBRRQHCUFHBA-QUCCMNQESA-N 427.505 2.008 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCCC[C@H]1CC 1293097204 AWKSUMJNCOLEJS-LJQANCHMSA-N 439.612 2.345 30 10 IEEE CCC[C@@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1293844907 ZEWMDCSJYNTENU-MPWIWIEXSA-N 448.568 2.329 30 10 IEEE CCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)cc1OC 1296771108 SNAICNGTNIIIPV-UHFFFAOYSA-N 441.513 2.434 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1300308593 CRMHIRPCYUJZSA-YLJYHZDGSA-N 425.533 2.359 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300401086 MJIUOCBHQGMLRH-FQEVSTJZSA-N 435.576 2.277 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1300495188 FDTYZRQVHZZWCI-SJORKVTESA-N 434.587 2.103 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300498581 LVQUELQLZMTWTA-FQEVSTJZSA-N 425.558 2.391 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)COC 1300537970 MIDIPJLHUVDYFP-SFHVURJKSA-N 445.564 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CC1 1300560596 GAZGNYWDFNNTGH-UHFFFAOYSA-N 449.555 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C 1300650710 WCDRCGCPOBOUOU-ICSRJNTNSA-N 440.548 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)OC 1300664895 VSDFKLLSHQDINJ-UHFFFAOYSA-N 438.532 2.186 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1300697721 IPHFLOLDHKDTCT-IBGZPJMESA-N 426.496 2.053 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1300703442 KJXGNFAVBOWMPB-UHFFFAOYSA-N 435.557 2.087 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1300972721 OUPXLONWLOLRPU-QZTJIDSGSA-N 432.569 2.037 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300999860 HYHCJBPUILJXOD-UYAOXDASSA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301509669 KTTXHJMQRBLSEF-LJQANCHMSA-N 449.559 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC[C@H]2C)C1 1301545939 OAWVNGBYOKUWOB-SJLPKXTDSA-N 432.956 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1301586636 HPQYVWTVCUDNDZ-FQEVSTJZSA-N 445.589 2.118 30 10 IEEE CC(C)C(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1301952025 FJZQMZOLWGMDOX-HNNXBMFYSA-N 445.955 2.230 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)[C@@H]1C 1305098321 DQNCMCNIEWNZST-IAGOWNOFSA-N 447.561 2.025 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1312615290 HLEYPVVTNMHRFJ-KANFNMMFSA-N 433.553 2.403 30 10 IEEE CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1314562422 SNPFQDZSQOVTHK-YEVIJXJFSA-N 440.573 2.026 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H]2CCOC2)CCN1C1CC1 1335739917 MITRHSQNFSTCRX-BLIXFSHQSA-N 436.516 2.004 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(F)(F)CO1 1358885979 VJCRXYHODKDZSP-KGLIPLIRSA-N 438.504 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1358890172 MBIFMLHTLDJAKE-RXVVDRJESA-N 438.576 2.275 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1358965993 GEQXIWLUEQHXLT-QGZVFWFLSA-N 433.603 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1NC(=O)CC1(C)C 1358971241 NFSFEERLKLTOOI-MRXNPFEDSA-N 443.349 2.034 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2([S@@](C)=O)CC2)CC1 1359038110 KTGKTMLMUFFCNW-SSEXGKCCSA-N 425.602 2.120 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1359063567 XOQZUBSHQOVZCQ-JOCHJYFZSA-N 439.520 2.442 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359088229 FDSYJTWFCQZCKU-CYBMUJFWSA-N 440.346 2.298 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1359133790 ZHLMSAMTNBCUJM-VQIMIIECSA-N 428.489 2.383 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1359588699 XHADUVQBMBPDDL-DFYVNMARSA-N 432.506 2.129 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1360106484 DVXNMBXQPMGVAO-QFIPXVFZSA-N 437.592 2.458 30 10 IEEE CN1C(=O)C(C)(C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2ccccc21 1462056811 XFHDXWDOFNOKDF-UHFFFAOYSA-N 426.498 2.280 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1468143953 DEFBDOYSMMHUJH-JQHSSLGASA-N 444.557 2.004 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)C(=O)OC 1468874794 DAKBSTHQOBKCDQ-XJKSGUPXSA-N 426.922 2.055 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)C(C)C)cc1 1472225311 YRSYYXLHEBZWRK-SFHVURJKSA-N 432.571 2.398 30 10 IEEE N#CC[C@]1(O)CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(S)nc3c2)C1 1472582054 LEGUCSXXUXFODQ-QHCPKHFHSA-N 434.521 2.419 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507590300 ATVCWWVATAACAS-UHFFFAOYSA-N 447.518 2.242 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(N2CCOCC2)CC1 1507653454 XRPFJPLMDHJKCW-UHFFFAOYSA-N 425.483 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(SC)cc1 1507660223 OOQIQVHCMIJINR-QGZVFWFLSA-N 445.614 2.316 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(C)=O)nc1 1507672999 MMBYLRUDXITYDZ-UHFFFAOYSA-N 430.516 2.004 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(O)c1 1508041636 RPFVPXWHNXZJNE-UHFFFAOYSA-N 441.488 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)C1 1508127542 YFDLQVMJFWJCMJ-QAPCUYQASA-N 433.459 2.368 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508157821 BNQWFQLQYFZHJB-IRXDYDNUSA-N 442.593 2.044 30 10 IEEE CCc1nnc(N2CC[C@H](N(C)Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513860928 LQMJRPXRNWMWFO-ZABCRHKISA-N 449.559 2.078 30 10 IEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)CCC1 1515976852 CFIREQKLBBCIKH-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1516663734 SUCLQPIDIAGQKU-APWZRJJASA-N 438.598 2.225 30 10 IEEE CC[S@@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1516872850 PERXFTYLBKBKBN-FZYZMVIOSA-N 442.589 2.139 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 1516978528 ARPJRFHOTJLEPB-PKOBYXMFSA-N 435.557 2.493 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1519389459 IXDGYEQCFXKMKS-QHCPKHFHSA-N 438.532 2.119 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)Nc2cc(C#N)ccn2)(C(=O)OC(C)(C)C)C1 1522753985 DADZFWJKFAZXNQ-OAQYLSRUSA-N 432.477 2.240 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12)C(=O)OC 1531945528 LYOUVNQTPYVUQP-GOSISDBHSA-N 449.529 2.209 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)CSCc1ccc(C#N)cc1 1535149220 INYJRLPDIYJGIV-UHFFFAOYSA-N 427.482 2.342 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(F)F)c1 1539239977 UMJXHWSNEKIJOA-HNNXBMFYSA-N 435.500 2.121 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC1(F)F 1539295631 DHWDQTCQPIGNDO-HOTGVXAUSA-N 427.521 2.177 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC(=O)N2CCCCC2)CC1 1539469686 UJNHXPAFSJHZQC-GOSISDBHSA-N 428.581 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)cc2)CC1 1539477518 PGIDEQIXHMRDNH-UHFFFAOYSA-N 435.919 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1539540926 WVJINLDLGMXUDW-YADHBBJMSA-N 444.557 2.146 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1539633280 XWVBLFXZIQIGPE-YRXWBPOGSA-N 438.594 2.024 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1539729756 KVHAUVCXDVHNAU-OAHLLOKOSA-N 437.541 2.183 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539779132 OGFMKSRXRYQTNK-HNNXBMFYSA-N 439.948 2.158 30 10 IEEE C#C[C@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1539807266 HQZAGRVYPPHXLK-KRWDZBQOSA-N 433.302 2.370 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC)C1CC1 1540109182 XBAYWZBLIFPLDF-INIZCTEOSA-N 427.505 2.458 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1540152156 QIYIOBZPJOOEQD-IRLDBZIGSA-N 439.608 2.493 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1540861651 AOLPMCLTQBIXMP-HUUCEWRRSA-N 430.940 2.256 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C/C(C)=C\c1ccccc1 1540871419 LJSVYVUNSQQKDV-LYDJUCFBSA-N 443.573 2.022 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 1540909840 QMXPIXCUJAWCOR-GJZGRUSLSA-N 425.580 2.394 30 10 IEEE CC(C)(C)OCc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)no1 1541227885 MNKDFIISXMICQB-YJBOKZPZSA-N 430.509 2.252 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCOC[C@H]2C)CCOC1 1541727989 BUTSIGKNWWQAQH-UEVCKROQSA-N 446.596 2.169 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(C#CCO)c3)cc2)C1 1542073603 LYBVPPFYRCKYAC-SFHVURJKSA-N 426.538 2.381 30 10 IEEE CCN(CC)C(=O)CN1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1542952102 NXHXNUNNSCJEPS-UHFFFAOYSA-N 448.608 2.040 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1543011971 UPQFCIJMKGYNSJ-FMQUCBEESA-N 440.552 2.148 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1544342287 VPHRACDQEHYMLW-KRWDZBQOSA-N 449.479 2.424 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)s1 1545336094 OITCELRLIOCXJG-UHFFFAOYSA-N 441.525 2.382 30 10 IEEE CCc1ccc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 1558123484 GORLOHIMNJYHSG-GOSISDBHSA-N 440.569 2.132 30 10 IEEE COC(=O)C1=NO[C@@]2(CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)C1 1560081159 CNPYOROAUSNRLZ-QHCPKHFHSA-N 435.484 2.298 30 10 IEEE COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561281764 CLOMCNLFUXDUNC-JTQLQIEISA-N 437.312 2.129 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)ccn1 1561470796 AJBLUAYWEXLQHK-SFHVURJKSA-N 432.498 2.219 30 10 IEEE CC(C)(C)NC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1567764818 BUYSJQOOSCGIRZ-BNGSBABLSA-N 447.580 2.426 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1587766124 OYWVWRNEFOKCAH-LPHOPBHVSA-N 430.530 2.217 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588044992 FBXBMAAYKDWCQT-ZDUSSCGKSA-N 445.492 2.220 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588229637 ZYFQAHBPSPUJKI-DNQXCXABSA-N 447.583 2.250 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1588272228 WILHWJCXFJKQHN-JOCHJYFZSA-N 446.573 2.252 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCCNS(=O)(=O)CC 1589251309 LOJHSVUSVAASKK-OAQYLSRUSA-N 449.552 2.318 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1593650291 VBOOIIBYRBYYKP-FQEVSTJZSA-N 437.592 2.363 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)cc1 1595614740 ZAUPZUNUCBSGSC-LJQANCHMSA-N 425.533 2.500 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)CNc1ccc(C#N)cc1)C2 1596101140 RBPJEBAXURLDPX-WLENULPWSA-N 442.516 2.275 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1618049670 ZHVWLSZZPBMWRZ-ZZEZOPTASA-N 425.468 2.051 30 10 IEEE COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1619258903 CIIUCGBTXDKCKJ-XDOYNYLZSA-N 447.499 2.445 30 10 IEEE COc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1619346093 DTNIFNFHPZRVOX-ZPHPHTNESA-N 444.442 2.326 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(Br)cnc2OC)c1 1622364457 USOCWROSSMMKET-UHFFFAOYSA-N 440.319 2.247 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C(=O)OCC 1624251963 NYJYKPSIOUKWFZ-HNNXBMFYSA-N 444.937 2.284 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1624270180 DBUGXWDGRMELMJ-LJQANCHMSA-N 425.554 2.454 30 10 IEEE COc1ccc2c(n1)N(C)CCN2C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1626255013 WBFRKBBHIAPGCG-CQSZACIVSA-N 425.876 2.451 30 10 IEEE C#CCC[C@H](O)CNC(=O)Nc1cc(C(=O)OCC)ccc1I 1626963843 HEWMQZIWMGDLKG-LBPRGKRZSA-N 430.242 2.364 30 10 IEEE CCN(CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC(C)(C)C 1632734303 GGPOMEZOAPJQBP-UHFFFAOYSA-N 438.550 2.255 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)cc1 1636284554 QFCPSTAGAYCGJF-OAQYLSRUSA-N 444.491 2.195 30 10 IEEE C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1636290774 JCVJNNUFCIRBRJ-IENSDBGJSA-N 432.565 2.095 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc(Br)cc1C#N 1636809464 BZEIBBNDDYSPKV-UHFFFAOYSA-N 438.303 2.119 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 1637534106 QLFRPEBCLCTJNH-HSZRJFAPSA-N 445.537 2.224 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1639265031 APQQAFJTXDSKIK-FQEVSTJZSA-N 426.542 2.191 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1641499873 PLLXXWKJJZIXPZ-FQEVSTJZSA-N 447.944 2.148 30 10 IEEE CS(=O)(=O)c1ccc([C@@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)CCO2)cc1 1643948080 FWOJKLKMWJWPMY-MSOLQXFVSA-N 431.539 2.202 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN1CCc2nc[nH]c2[C@]12CCN(C(=O)OC(C)(C)C)C2 1643955761 MCBMZMAFFSVUCT-OPAMFIHVSA-N 430.553 2.112 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 1644464957 BGWUZLBVYVUVFC-GOSISDBHSA-N 426.469 2.225 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)OC)Cc2ccccc2)ccc1F 1646458869 IYLSDMRUFPELCM-KRWDZBQOSA-N 434.489 2.194 30 10 IEEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1648466867 QOEVPZXJQVIDTF-YCRPNKLZSA-N 436.468 2.440 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1651247982 YSGGABDRMHAHOP-SFTDATJTSA-N 425.526 2.126 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)c1 1661489887 JHGSNAOIQBXHJO-UHFFFAOYSA-N 433.917 2.249 30 10 IEEE Cc1cc(NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nn1CCC#N 1670358272 ATJBJWVRAODNRR-BEFAXECRSA-N 426.525 2.349 30 10 IEEE CCOC(=O)Cn1ccc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1672678655 DCJWYZZZJSLCDV-UHFFFAOYSA-N 448.487 2.062 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1689851782 VILFQKIRMLBELY-RTBURBONSA-N 448.612 2.429 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)[C@H](C)CC 1689966181 MLZKFGRQIRTHPO-HYFFOGBASA-N 435.569 2.453 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986771 WWDXGEYYLUFABY-OALUTQOASA-N 444.605 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)CN1CCOCC1 1690005252 XVMPMPKLSQJCBF-IBGZPJMESA-N 437.544 2.003 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1noc2c1CCCC2 1690005976 GIQUSZOLUUGFQY-UHFFFAOYSA-N 449.536 2.337 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690167898 PPKPHJVPUKYPAM-LJQANCHMSA-N 428.606 2.199 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCCCS(C)(=O)=O 1690210480 DCQGUPBDBRNFPB-OAQYLSRUSA-N 432.594 2.347 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC(=O)NC 1690241390 RTAOQDLGNNNYGE-JXFKEZNVSA-N 427.505 2.227 30 10 IEEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690415062 VWPRVXKXXGNBQZ-QHCPKHFHSA-N 444.601 2.405 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1690513661 FCMVVOOEWQITFF-SFHVURJKSA-N 440.548 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H]1CCOC1 1690720347 GMATVXDUJDENNZ-KRWDZBQOSA-N 427.530 2.319 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1692813723 QYDMSIGENNQTPJ-CPUCHLNUSA-N 443.483 2.284 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCC(F)F 1694125214 DMWSOSJMSSDXLU-LSDHHAIUSA-N 434.495 2.450 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C1 1696368740 GJUCTKHGFCFUNE-SFHVURJKSA-N 426.521 2.118 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)CN(C3CC3)C2=O)cc1 1697480550 YPCCFBCROBCULW-QMHKHESXSA-N 438.532 2.472 30 10 IEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCC2=CCCCC2)C1 1698312100 AKRWIHATHLJSJM-IBGZPJMESA-N 448.593 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1705490750 PVSFCEUQDPKAPZ-INIZCTEOSA-N 447.543 2.049 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1705566576 OHGPXTIUMMWGJJ-IAGOWNOFSA-N 440.635 2.331 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCN(CC)CC1 1705609893 VDWUNQUUYOUMGX-LJQANCHMSA-N 438.576 2.202 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1705770944 AGLXKOHIRJMGJT-UHFFFAOYSA-N 443.573 2.150 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1705831902 GWZPFQVZPPMCEV-SFHVURJKSA-N 431.512 2.110 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CCC)C2)C1 1705913889 ANZXNZOLWBLDAZ-MOPGFXCFSA-N 439.564 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1705930175 HMMWKKQMOWTMMK-GOSISDBHSA-N 449.621 2.135 30 10 IEEE CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1706113734 FJUFTOGNDAVZPN-UHFFFAOYSA-N 444.605 2.204 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1706610869 ARFHBHRATDULRL-OAQYLSRUSA-N 429.569 2.195 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1710238367 FSRQDJCLCQWUSZ-LPHOPBHVSA-N 430.578 2.170 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CC(=O)NCC(F)F)c1 1712877291 HHOIVPCZLAZQKT-SFHVURJKSA-N 444.486 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1722274855 AHIXPFRTNNAXAR-ROUUACIJSA-N 444.605 2.385 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722369302 XLJBMOWUVFCCMD-QUCCMNQESA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1722378373 OLKZDGKWYMUAMY-VZCXRCSSSA-N 434.887 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC 1722397496 QWEYSTUYWFTDIK-IBGZPJMESA-N 426.542 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1c(O)nc2ccccc21 1722403346 PPYVXPJEXAQOEE-RXVVDRJESA-N 448.527 2.221 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H]2CCCCO2)CC1 1722447509 IXSNLZWHNYXDND-VQTJNVASSA-N 429.565 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722511474 ZRNAIRVARNDRDV-QOKNQOGYSA-N 430.578 2.282 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1722631888 ZRLCJJTWPHTBCJ-ZDUSSCGKSA-N 447.483 2.500 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722642988 BYBIUZPJGAZKTB-SFHVURJKSA-N 436.568 2.263 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1722673146 JXCXXVIKXCWEOK-LJQANCHMSA-N 431.562 2.181 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1722717366 ADSAWTKVMDELHW-WJFTUGDTSA-N 438.594 2.167 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1ccco1 1729068365 FJFREMNKBCTZGQ-UHFFFAOYSA-N 449.515 2.036 30 10 IEEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)cn1 1729330246 WGNAVXVROXXCQW-LJQANCHMSA-N 433.516 2.463 30 10 IEEE Cn1cc(Nc2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1729580600 ZPWYHCRUGVPPBB-FMQUCBEESA-N 436.451 2.012 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1729762327 FRGPUNPHOOHHIJ-OAHLLOKOSA-N 427.415 2.456 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730627583 CHQMYNHEFOPSEC-JOCHJYFZSA-N 438.488 2.169 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1740607165 GRULIFFHIXJHJG-UHFFFAOYSA-N 447.543 2.351 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1740624823 BBKKMMDEKCLQHW-SFHVURJKSA-N 430.574 2.442 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1C(C)C 1740681010 VTDMPSOKFNDJRU-VQTJNVASSA-N 445.589 2.498 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)nc2)CC1 1740706057 QTGVLGUBVNZPIJ-UHFFFAOYSA-N 437.592 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2snnc2C)CC1 1740708648 XCFRKQXAHLYUHG-UHFFFAOYSA-N 427.578 2.185 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740800058 FQZPIXPJSWANTD-UHFFFAOYSA-N 433.944 2.194 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740886532 KIDJCMCOUGVIOH-UHFFFAOYSA-N 431.500 2.392 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)CC 1740937795 OWHUDTLWSHTNCI-UHFFFAOYSA-N 440.504 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccccc21 1740985544 IIIHWVGKWHOHAW-UHFFFAOYSA-N 431.562 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1740991588 AAFGAJIGVMNUMS-UHFFFAOYSA-N 433.578 2.110 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C)CC2)nnc1[C@@]1(OCC)CCOC1 1740993455 BDMJHVCUUNDMMQ-YLJYHZDGSA-N 426.583 2.157 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1Cc1ccc(C#N)o1 1741920601 HOOWOOYXRBVACF-GJZGRUSLSA-N 432.550 2.418 30 10 IEEE CN(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1747557975 DQPPNQMVJAGALX-LEWJYISDSA-N 435.507 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccn(Cc2ccccc2)n1 1748875541 RZNDFFQBYKTYIS-UHFFFAOYSA-N 429.528 2.172 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)c2c(C)noc2C)CC1 1749001202 LQGFKEOCDNAHAX-LRQRDZAKSA-N 442.564 2.166 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1749368578 MRPLQISZBFOEGO-KRWDZBQOSA-N 437.610 2.087 30 10 IEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1749451880 KBJDBIFGIYYQHT-UHFFFAOYSA-N 426.565 2.056 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749457823 RCHGQVBUQVVGAV-QFIPXVFZSA-N 432.569 2.274 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1749590725 DZNOEBGTDSSDBV-RBUKOAKNSA-N 447.605 2.493 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccc(O)cc1 1750026193 FVAVFXQCJMVSMT-XLIONFOSSA-N 440.548 2.127 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750473511 JGOFOJDVZVRLCT-VXPUYCOJSA-N 443.596 2.314 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1750989591 CLJOKVRFILOQSR-VQIMIIECSA-N 426.521 2.115 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1760112429 GSIXOPGEVWAWAO-SJLPKXTDSA-N 444.580 2.377 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760223905 QIXLBWMMBLAFPT-VXKWHMMOSA-N 437.592 2.102 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc(F)cc(F)c2)CC1 1760257262 SBGPLAGBOQJOSE-QGZVFWFLSA-N 433.503 2.278 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cnn(C)n1 1760484473 AGXDKGTVBXHXHJ-IBGZPJMESA-N 438.511 2.322 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760556414 CQNJTDRJBVTIEE-RBUKOAKNSA-N 431.562 2.013 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1760564716 FXHDEWNKBOJMEU-GOSISDBHSA-N 438.561 2.366 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCn1cncn1 1760758930 HBQCOYVQSHBVNP-UHFFFAOYSA-N 437.527 2.496 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760791658 SRAHQNXMFOKQIP-UHFFFAOYSA-N 425.493 2.215 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccccc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1767150216 JTEVUTYPIAAJBA-NRFANRHFSA-N 437.592 2.400 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cnnn1C 1767445945 AZKBKJZEDNPMLS-SFHVURJKSA-N 444.341 2.353 30 10 IEEE Cn1ccnc(N2CCC(N(Cc3ccc(Br)cc3)C(=O)CC#N)CC2)c1=O 1853597922 PVKJJPRXZUVRRQ-UHFFFAOYSA-N 444.333 2.454 30 10 IEEE C=CCN([C@H]1CCCCN(C(=O)COc2ccc(Cl)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854059793 RNWYZSQLCBIUGK-RBUKOAKNSA-N 433.936 2.345 30 10 IEEE N#Cc1ccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)cc1 1855109089 QIZPQRMMDPVHTI-IBGZPJMESA-N 431.514 2.042 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cc(F)ccc1F 1856267388 SYACMDDSIZBFRL-ZDUSSCGKSA-N 433.436 2.039 30 10 IEEE COc1cc(CCC(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)ccc1F 1856335618 YWPOKHMAEQVMDU-MRXNPFEDSA-N 434.445 2.186 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(Cl)cc3F)C2)CC1 1857033831 GAPCGMPSJFQZSS-ZDUSSCGKSA-N 427.885 2.033 30 10 IEEE C[C@@H]1CC(=O)N(C(=O)[C@H]2COc3ccccc32)c2ccccc2N1S(=O)(=O)CC#N 1857461149 MKCWZPCWNYGQPF-ZBFHGGJFSA-N 425.466 2.174 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759402 QVVAYBXOMYNHKH-BTDLBPIBSA-N 443.368 2.168 30 10 IEEE C=CCNC1=C(c2ccc(Br)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1863558775 MNQBCZHQXUYZAL-UHFFFAOYSA-N 434.334 2.027 30 10 IEEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCCC[C@H]1CCO 1868784956 ZUAWFWHPNORCCK-WDSOQIARSA-N 432.590 2.293 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1C[C@H](C)O 1870393917 ZQPSZYXNDRLPLK-IBGZPJMESA-N 425.529 2.098 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(COC(C)C)o3)CC2)CC1 1890122952 BCWMVNCTGSZSPQ-UHFFFAOYSA-N 431.577 2.467 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@](C)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1982282285 WQUGXNWYRFPWKK-RKFFSXRUSA-N 431.374 2.332 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccnc1I 1985061086 WTMGMJMOWVWUEC-JTQLQIEISA-N 430.246 2.326 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#N)cc1F 2164487646 OMILWGJFPOQDCJ-FQEVSTJZSA-N 433.436 2.141 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2174788442 FMEWPVCNWRABGC-LJQANCHMSA-N 426.498 2.423 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2247824155 UURDPVIWJMLHDG-QWHCGFSZSA-N 437.371 2.394 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247834573 YJHKAOHPCSCUNX-MRXNPFEDSA-N 432.351 2.092 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255596349 MNVQGIFAKOMCAY-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2255630147 GMOYXNXKOQMRAY-KBPBESRZSA-N 434.346 2.179 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2255651539 XYMYMLWERIRIJP-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255707420 WBGRKNFOEBAAAW-YPMHNXCESA-N 430.232 2.250 30 10 IEEE Cc1cnc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255868548 PPPPIGXBKHPHDI-UHFFFAOYSA-N 431.342 2.286 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256615447 UUPMMHJWZXIVRJ-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256666397 SIVBGOBZEKMZBT-GJZGRUSLSA-N 440.321 2.143 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)COC1 2256673905 WLDVBWRJSHPVNB-UHFFFAOYSA-N 436.289 2.357 30 10 IEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CNC(=O)OC(C)(C)C 2267167228 CRORREPCXKHMPK-CABCVRRESA-N 446.357 2.009 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2267227408 SAQVIKRTAGMFGG-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267549938 SAAWOHZSXLSMAN-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267614238 LCKCKHIQRIAPOD-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)[C@H]2C1 2267728750 ZIYHUIHOJPCLNF-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)C[C@H]12 2267812196 XDGLWTHBOBDSCR-HOTGVXAUSA-N 444.337 2.287 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268631683 BFNFBADLMRRZRU-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271387134 MIFBOKMZAYPVCV-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE Cc1ccc(CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701562 KGWTUHBDFONOJU-QGZVFWFLSA-N 448.369 2.186 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@@H](CO)C(C)C)C(=O)[C@@]12C 2297591732 ILOJMKHVPUDCJW-NPMABZOXSA-N 429.469 2.175 30 10 IEEE CCN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2315534298 RPDJYQGFTZESGB-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CCCCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O 3045715 UBMOCKAVTMYMHL-UHFFFAOYSA-N 435.546 2.249 30 10 IEEE C[C@H](CO)N(/N=C/c1cc(Br)ccc1O)C1=NS(=O)(=O)c2ccccc21 8660773 YHIUNASSSRIDOX-YXZFXQPTSA-N 438.303 2.321 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 26196804 KHEKEFJTZLNTCF-UHFFFAOYSA-N 432.392 2.272 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)ccc1Cl 58508191 JBTDDSAOTKFBFI-CQSZACIVSA-N 428.695 2.479 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3cccnc3)n[nH]2)cc(OC)c1OC 59830851 MCWDNXDFYPUGMR-ZVBGSRNCSA-N 443.489 2.402 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1 102741891 IGWLEASAOQDZQB-LYHOESIGSA-N 430.530 2.232 30 10 IEEE COC(=O)c1ccc(C=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 254400237 ZKTLNXKOSRYKAW-UHFFFAOYSA-N 445.497 2.247 30 10 IEEE CCCCn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1CC 428277266 PVFJNEDVGPDZKL-UHFFFAOYSA-N 429.546 2.264 30 10 IEEE CNC(=O)c1cccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1C 446209696 FCAOGLOXZJKENU-UHFFFAOYSA-N 435.484 2.066 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(Cc4cc(OC)cc(OC)c4)C3)cc2C1=O 446614270 ZFGKUVYYXXKIGB-SFHVURJKSA-N 449.507 2.490 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C 447783290 ORJDECLKUOVZRQ-UHFFFAOYSA-N 442.500 2.027 30 10 IEEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 461724822 GBRKDCUOAZWALO-INIZCTEOSA-N 444.469 2.201 30 10 IEEE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 461724823 GBRKDCUOAZWALO-MRXNPFEDSA-N 444.469 2.201 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 463685534 AWYZCMRMNFCQDE-UHFFFAOYSA-N 427.526 2.469 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)cc2C1=O 467207272 NCEWKMQRUDNRPT-KRWDZBQOSA-N 430.526 2.431 30 10 IEEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482573707 FZNIXUBJNVPSQO-UHFFFAOYSA-N 443.511 2.165 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC(OCCC(=O)NC)CC2)nnc1-c1ccco1 482844194 ZMTWKYXHRSMGNK-UHFFFAOYSA-N 447.561 2.350 30 10 IEEE COc1ccc(C(=O)CCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC 485996813 BCESLYJNEUVZTN-LJQANCHMSA-N 435.480 2.456 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cn2)C[C@@H](C)O1 487802492 PFXGJAYWCNOJKD-HLIPFELVSA-N 436.516 2.325 30 10 IEEE CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 490423019 QNSFLZJPQMKPMY-YADHBBJMSA-N 434.606 2.121 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 504032927 FIOQIVVNESNUTO-UHFFFAOYSA-N 435.933 2.492 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C1CCS(=O)(=O)CC1 508029173 PJZZSNJYQDSWCK-UHFFFAOYSA-N 440.356 2.483 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 508918441 FMWBWZGNQOWNBR-UWJYYQICSA-N 432.546 2.309 30 10 IEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 555253442 DVRSOIGLMPQXKK-UHFFFAOYSA-N 444.486 2.331 30 10 IEEE CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)[C@@H]1n1cccn1 575434631 KLHJBJFGOTVRKK-LZWOXQAQSA-N 425.308 2.214 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1OC 584379207 QGJTYJDGVGSLAO-HKUYNNGSSA-N 447.561 2.147 30 10 IEEE COc1ccc(C)cc1S(=O)(=O)N(CCN1CCOCC1)Cc1ccc(C#N)cc1 586138477 CQPMMPVVZJBINX-UHFFFAOYSA-N 429.542 2.398 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)c1ccc(F)cc1 602023662 PUQOWDCHCXLVPO-HNNXBMFYSA-N 426.267 2.248 30 10 IEEE CN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 604033817 MVGLGYXALSMVIN-UHFFFAOYSA-N 432.933 2.078 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4ccccc4n3)CC2)cc1 609640096 SCCVNTGSTQFYOX-UHFFFAOYSA-N 435.509 2.323 30 10 IEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 619836566 BNXYSUKOJPHVCX-XMSQKQJNSA-N 433.560 2.382 30 10 IEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(CCOC)C(=O)C1 685543653 SJUMAXQLMZJIBL-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1 734293165 NPTGASGBBAOTCD-UHFFFAOYSA-N 425.491 2.202 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 741251380 CAOBZCVDIVRLBH-MRXNPFEDSA-N 435.523 2.299 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)CC2)o1 745232615 FGUAYJRFRASIII-GJZGRUSLSA-N 430.411 2.128 30 10 IEEE COC(=O)c1cc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)o1 747491216 RTBAAIHXUJFXQI-UHFFFAOYSA-N 446.481 2.390 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cccc(S(N)(=O)=O)c2C)cc1 754326092 CXYHIIJBKZNUJU-INIZCTEOSA-N 429.498 2.443 30 10 IEEE C=CCC[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 772783843 DKUORNCWVPADEJ-QGZVFWFLSA-N 438.546 2.206 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc3c(cc2C#N)CCCC3)C1=O 776349212 AYZWENGHNOYLBG-HSZRJFAPSA-N 433.468 2.246 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Br)cc2)N(Cc2ccn(C)n2)C1=O 784133833 AVACKHGPMASQAK-AWEZNQCLSA-N 436.335 2.450 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1F 797587232 SCGUPKMBRVMNPT-QEEYODRMSA-N 426.510 2.089 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cnn(C)n2)C1=O 807934106 GSEVHLINVLCCJG-CYBMUJFWSA-N 427.317 2.390 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 812177428 GNSSUXPBHRRBEP-ZHRRBRCNSA-N 448.568 2.125 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 812751865 MGUHHPZBAWDKCG-MRXNPFEDSA-N 430.379 2.493 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cc1 1125136542 IEKBKGUTGFKXKX-AXVPLRHPSA-N 442.497 2.228 30 10 IEEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 1128848439 GGHDROYRPPHGPB-FQEVSTJZSA-N 440.518 2.315 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)NCc3ccc(SC)c(C#N)c3)cc2S1(=O)=O 1133500520 GYKOELPRASJVFR-UHFFFAOYSA-N 445.522 2.001 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3c(nnc3C3CCCC3)C2)s1 1137546333 QJBAOSVAUXLCNU-UHFFFAOYSA-N 435.575 2.046 30 10 IEEE CS(=O)(=O)Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1F 1149962196 JZTKJXIRGQUWRO-UHFFFAOYSA-N 428.438 2.059 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 1150625868 HFAXFAOFKNBTPF-GUYCJALGSA-N 438.502 2.149 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C)c2-c2ccc(Br)cc2)C1=O 1160216053 URVAYYAKUMSYMG-UHFFFAOYSA-N 446.261 2.063 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 1165944478 NKUJKPJROYOHEM-DMPWYTOCSA-N 437.537 2.390 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@@H](CN3CCOCC3)C2)s1 1169001563 CWXKJUACZFKMDV-HNNXBMFYSA-N 432.011 2.398 30 10 IEEE Cn1nccc1[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1179371987 RWRHLDLWYGWZJF-GOSISDBHSA-N 430.306 2.091 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)NCCS(=O)(=O)CCc3ccccc3)CCO2)cc1 1235672292 MVULMKGTRJMTKY-NRFANRHFSA-N 427.526 2.299 30 10 IEEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)nn1 1264347206 JJVYJZCGRXYYKM-UHFFFAOYSA-N 432.550 2.347 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286271599 UCJXXKPRQMFVOF-MRXNPFEDSA-N 425.537 2.452 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1286288511 HJDKGFZZHJKJEA-QZTJIDSGSA-N 448.575 2.078 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286373997 SXQIQWXXYKJVSW-RTWAWAEBSA-N 441.601 2.451 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 1286386399 ZKTCVOVMFQWTBU-LJQANCHMSA-N 438.557 2.262 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCc2c[nH]nc2C)CC1 1286483662 SOEBKJQSLMZVAJ-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)C)CC1 1286550452 CRNALYGJGWPNMI-AABGKKOBSA-N 449.596 2.288 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1286726041 ABPMZZWCWKFUPM-FQEVSTJZSA-N 429.590 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(C)cc3)C(=O)C2)nnc1C(C)(C)C 1286824581 FKTOGJQXNKVDTP-UHFFFAOYSA-N 445.589 2.338 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CCC(C)C)n2CC(=O)N2CCOCC2)cs1 1290404353 ILKKXMJNLRKBSH-UHFFFAOYSA-N 445.593 2.259 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1296059451 FVMWKXUNJZLNHP-SJLPKXTDSA-N 430.578 2.429 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)s1 1296838058 SRZVHDZFPUYKLJ-INIZCTEOSA-N 449.598 2.433 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1 1297759998 MREBCBYMHDDVCF-GOSISDBHSA-N 446.577 2.009 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300413203 QVCFDNMOXPVARJ-REWPJTCUSA-N 449.603 2.056 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1300626859 XZBIMHITOOTINS-SFHVURJKSA-N 431.562 2.278 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccsc2)n1 1300680869 GOPVGVRGLGGJDQ-UHFFFAOYSA-N 434.529 2.328 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1301424345 JNGKHQCLKWTGEU-GOSISDBHSA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OCCOC)CC1 1301497189 REYRFBWIWWLTJS-UHFFFAOYSA-N 438.532 2.360 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc3cccnc23)n1C[C@]1(C)CN(C)C1=O 1301806250 ZXWXIXSYDJFONL-QHCPKHFHSA-N 433.516 2.338 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(C#N)CC1 1302138847 CJIYSXIFSNLCGD-SFHVURJKSA-N 426.521 2.381 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)CC1 1303791817 CJJQPUNPICQLFZ-UHFFFAOYSA-N 437.496 2.489 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CCO2)cc1 1308114957 RWZVUAQXSCSEGR-NHCUHLMSSA-N 435.553 2.402 30 10 IEEE C=CC[C@@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1309390742 MPVYGQVYBADDRK-RBUKOAKNSA-N 438.546 2.462 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCO[C@@H]2CCOC2)c1 1316528503 FBWKZPJUTHIVIG-UYAOXDASSA-N 438.532 2.104 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCc2ccco2)C1 1316530047 DEKOXTAJHGPGSP-NRFANRHFSA-N 444.417 2.498 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)nc1 1358419081 HYVMNQAUKLZXQS-QGZVFWFLSA-N 434.887 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1358872099 OMTIYKNPRHPWJF-ZIAGYGMSSA-N 432.525 2.209 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)CC 1358875052 IJQTZOPAILZBES-INIZCTEOSA-N 426.546 2.199 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1358947343 ZZFRTZIDTTXQKA-KRWDZBQOSA-N 435.532 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1358973667 AGNJZVTVOMGMKF-RBBKRZOGSA-N 444.543 2.445 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359226999 QQJXKIVUWRFDNJ-AEFFLSMTSA-N 444.532 2.446 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCOCC1 1359257854 YEGARRYSXLHFMG-UHFFFAOYSA-N 438.576 2.429 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1359307919 YDTRSIUNQUQJHW-RTBURBONSA-N 425.533 2.487 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1359472658 OFYICHJGQWHSJK-UKRRQHHQSA-N 449.357 2.264 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1440681285 GADVEYGQTNWOOB-FQEVSTJZSA-N 449.446 2.396 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1463302613 ZSQGWBGHAFYPGO-JFIYKMOQSA-N 425.432 2.209 30 10 IEEE C=CCC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1467990931 GKKQNGNHCBNLNA-HOCLYGCPSA-N 445.379 2.293 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[C@H]1c1ccc(F)cc1 1468818536 FVOZADYETNIFKR-DLBZAZTESA-N 428.468 2.198 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCO[C@H]1CCOC1 1503477343 LKSOZWXMKHEBNK-FQEVSTJZSA-N 438.532 2.218 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCc2ccco2)CCO1 1505321634 UPCNEVQHUIHOTH-QGZVFWFLSA-N 426.864 2.237 30 10 IEEE N#CCC1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N2CCOCC2)CC1 1505324948 DGDKVFJTDHIUJH-UHFFFAOYSA-N 436.560 2.442 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccn2)CC1 1507846646 SFIVAFPMEROJRL-UHFFFAOYSA-N 440.577 2.343 30 10 IEEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1507942165 PZKYBWHAYQVKEZ-IBGZPJMESA-N 429.521 2.270 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1507981711 ORYZDZBVZVEERD-MRXNPFEDSA-N 436.557 2.077 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1508039243 MKKSSAISOADTAA-LJQANCHMSA-N 446.573 2.192 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](COCc2ccccc2)C1 1508081298 WTBVZCOGIVHBJC-IBGZPJMESA-N 433.516 2.080 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1508084789 PNYSZNGVRRNZRL-JOCHJYFZSA-N 445.571 2.277 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508802813 PUJBHTVJSIZIFT-IBGZPJMESA-N 441.605 2.269 30 10 IEEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1N1CCCC1 1514903210 XKPLQUBILURILL-GOSISDBHSA-N 432.484 2.421 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1517627296 MHXHLSVMMDXTGX-MSOLQXFVSA-N 440.529 2.139 30 10 IEEE CO[C@@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1517804166 VQZJRMAXNPVYFE-HOTGVXAUSA-N 449.437 2.213 30 10 IEEE COc1cc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)ccc1C 1517979635 ATEBHHUMEALLJJ-WMZOPIPTSA-N 431.562 2.478 30 10 IEEE N#C[C@@H]1COCCN1C(=O)Cc1cc(Br)cc(I)c1 1521591885 DHYLYMFQIJZCMI-GFCCVEGCSA-N 435.059 2.347 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)ccc1OC 1525143650 JCXRPKMQNJTMCA-HNNXBMFYSA-N 431.514 2.309 30 10 IEEE Cc1cc(I)cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1529119988 PVFDSTJUAXKMAR-UHFFFAOYSA-N 449.296 2.476 30 10 IEEE C=CCOCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1533814717 PKASZJBUUSIKNN-WBVHZDCISA-N 430.364 2.361 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1538972110 JGHDTLBCDLLVMA-XUWVNRHRSA-N 431.562 2.279 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1539011948 ILRLDLPUSFOUIP-IRXDYDNUSA-N 432.569 2.375 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cnn(C)c2)c1 1539043875 VOFPVHSUUIBEGL-LJQANCHMSA-N 433.516 2.010 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1539210205 BQCWQDPQDXNDRJ-QGZVFWFLSA-N 430.530 2.491 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539210387 DMUBDYCRTFSWNL-SFHVURJKSA-N 433.578 2.116 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539225432 OBYDULZCGLHMOD-LJQANCHMSA-N 434.606 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(OC)CCOC1 1539291168 NHJAWJXKTDWMCE-XMMPIXPASA-N 435.528 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539413384 IFXCEPQJDOKZCP-QYZOEREBSA-N 445.564 2.266 30 10 IEEE C=C(Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539770501 MLXBBOFMVALJSJ-XXBNENTESA-N 425.533 2.344 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540039636 DLJXZHHRCMVLEG-CABCVRRESA-N 431.459 2.149 30 10 IEEE Cc1ccc(CO[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1540728298 BTVMNOAHYIBQCJ-GOSISDBHSA-N 427.526 2.305 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1540902799 QMLPMQJZYNNXCW-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1541105506 KBJANCOHSLWGKP-FXUDXRNXSA-N 446.577 2.417 30 10 IEEE Cc1ccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1B1OC(C)(C)C(C)(C)O1 1542294019 LSZIVLLNWLACBS-HSZRJFAPSA-N 446.422 2.232 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1555794294 ARPILBDTPJOCNU-QZTJIDSGSA-N 433.534 2.436 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(Br)n2)CCO1 1555993473 OWAJLYHWRZOODE-CQSZACIVSA-N 426.278 2.275 30 10 IEEE CC(C)(C(=O)NCCn1cc(C#N)c(O)nc1=O)c1csc(-c2cc(F)ccc2F)n1 1557599976 HJZIIDVZZKJFEJ-UHFFFAOYSA-N 445.451 2.316 30 10 IEEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 1560042676 VVJXQYDNJGAOKF-QGZVFWFLSA-N 435.594 2.291 30 10 IEEE C#CCC1(NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CCCCC1 1564012894 OOYZACMQPYRMLY-UHFFFAOYSA-N 432.590 2.148 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)c(I)c1 1584667586 WSMKGXYJUWFJCI-CNDDSTCGSA-N 430.267 2.457 30 10 IEEE CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ncc(I)cn1 1585265386 BZEHPNZJPKMVLF-OAHLLOKOSA-N 430.246 2.306 30 10 IEEE C#CCN(CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)C(=O)OC(C)(C)C 1585404099 SEZXPZVFBZGBDP-UHFFFAOYSA-N 432.540 2.454 30 10 IEEE Cn1nc(I)cc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1587496066 DFUVKFOORPUTOW-HNNXBMFYSA-N 435.269 2.047 30 10 IEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1588050826 VQYVPUKNPXQLBW-DLBZAZTESA-N 441.557 2.098 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCS(=O)CC1 1589116688 KSBJKZYREVHSDN-UHFFFAOYSA-N 434.587 2.191 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1594812194 CYTHIDVWACGTLS-APWZRJJASA-N 427.505 2.050 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC1(NC(=O)OC(C)(C)C)COC1 1595290517 GPWJLHDTOXZWHY-UHFFFAOYSA-N 432.525 2.206 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1595393335 SLVIPCVJHFWOTM-INIZCTEOSA-N 427.505 2.480 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1595490645 VQBAEVCVLFRVHZ-HOTGVXAUSA-N 432.322 2.377 30 10 IEEE N#Cc1c(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc32)nn(-c2ccc(F)cc2)c1N 1595532727 DLVJIMULSAJJNY-FQEVSTJZSA-N 432.459 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCOC2)C1 1595679831 CFKZBMQEZMSARG-DRSNIGMVSA-N 432.496 2.490 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1596823494 UUFOXERANNWNBB-WMZOPIPTSA-N 428.512 2.402 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)c(F)c3)c2)C[C@H](C)O1 1597468200 DUKKSSMUIQQUKI-GJZGRUSLSA-N 431.489 2.425 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1598234881 ASORGSRJSLYAQM-MBSDFSHPSA-N 440.548 2.228 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)O1 1613679981 LMUAPVCHANLAKX-DNVFCKCGSA-N 438.532 2.116 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1616302717 CVHWRGPUOXXJIY-INIZCTEOSA-N 446.577 2.384 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1616924493 QLXZJBFDJSTMRD-SFHVURJKSA-N 447.584 2.296 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1618678079 AZJRCXUUWYDRBN-UHFFFAOYSA-N 445.527 2.443 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1619900004 PDIBPGDSVOYSSL-LEWJYISDSA-N 448.527 2.405 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C(=O)OC)n(C)n1 1624388614 GWKRTHJROQEHMT-UHFFFAOYSA-N 437.250 2.257 30 10 IEEE C#CCN(CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)C(=O)OC(C)(C)C 1624657593 NKZDPDXRMHBGPV-HXUWFJFHSA-N 431.533 2.055 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1624877456 XNMZXCWGAPJCAU-QGZVFWFLSA-N 425.551 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1625335336 CCCHQAPKXYFPNK-RTBURBONSA-N 437.500 2.464 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1626487719 VLSAAVKJWSJMKF-GOSISDBHSA-N 426.897 2.333 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N(CC)CC)c1 1626976661 CUXBEZAPKNUFQT-SFHVURJKSA-N 435.546 2.071 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2cccc(Cl)c2Cl)c1 1629804484 WKMGHWAZHNEENL-MRXNPFEDSA-N 427.309 2.368 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CCCN1C(=O)OC(C)(C)C 1634218032 IDPOWNIXZSMJGF-ZMPRRUGASA-N 439.553 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCOc2c(Br)cc(C(=O)N[C@@H](C#N)CO)cc2C1 1635481048 MVQWTRKTHGDHTI-ZDUSSCGKSA-N 440.294 2.193 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(OC)c(O)c1 1637317686 GNDDIHRYQNTGPE-QGZVFWFLSA-N 445.541 2.357 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCN(O)C1=O)c1ccccc1Br 1637465645 ZRRFJAPODZTUTB-OLZOCXBDSA-N 428.283 2.121 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(Br)ccc1=O 1637791905 FAUBOYQBSCJGHV-CQSZACIVSA-N 426.311 2.034 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 1643681148 PSNJTPTXGQPEJX-XZOQPEGZSA-N 425.554 2.307 30 10 IEEE C=CCN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)[C@@H](C)COC 1647738604 ZNYKVIWHTNQSDK-SFHVURJKSA-N 435.590 2.273 30 10 IEEE CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1652936602 BUCXFEGMDCZFRV-HXUWFJFHSA-N 426.517 2.473 30 10 IEEE Cc1ccc(C)c(NC(=O)Cc2nc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)c1 1654888637 BTWAJLYQJIDZPO-KKSFZXQISA-N 444.582 2.311 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1)[C@@H]1CCCO1 1655040441 IGGIVJAWZWWVIE-CVEARBPZSA-N 430.320 2.393 30 10 IEEE C[C@H]1C(=O)Nc2ccccc2CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1659383825 JHIICQOIMIEYMJ-HTAPYJJXSA-N 435.503 2.377 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1669803607 HFBRBOFKNBMCSK-FQEVSTJZSA-N 431.539 2.355 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C(=O)NCCO)CC1 1670845981 VXOVOLADEUDFOM-UHFFFAOYSA-N 426.311 2.366 30 10 IEEE CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1686055660 MDLVSAFYSXUWOO-QZTJIDSGSA-N 437.585 2.278 30 10 IEEE C=CCOCCCNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1687074565 MADOPHXKYDFAKE-UHFFFAOYSA-N 440.338 2.274 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCc2nccn2C1 1690034548 LJFOQPJWCFOGCG-HYBUGGRVSA-N 436.560 2.241 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(OC)cc2)CC1 1690364753 WXXMOARBDRWXPP-MRXNPFEDSA-N 435.550 2.132 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690417428 RDXDFSODELLXRT-QYZOEREBSA-N 438.594 2.229 30 10 IEEE CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1691884809 INVQRQOPXFREDL-XUTLUUPISA-N 443.596 2.486 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCc2cccc(C(N)=O)c2)CCOC1 1692585789 MLHWQFNKFSMQCX-UZUQRXQVSA-N 440.548 2.399 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1693355113 NMUFJEIIXPGXEW-KXBFYZLASA-N 434.591 2.199 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1695771442 BVSVVECEGHVJQS-KRWDZBQOSA-N 449.602 2.353 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1696689750 ZCOBCLFJXJNGEZ-RBUKOAKNSA-N 429.546 2.462 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1697123458 AQPYMUSSNCCMPS-HYFFOGBASA-N 427.505 2.148 30 10 IEEE CSCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698437242 PRXTVUTWXBNEDS-INIZCTEOSA-N 445.618 2.199 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)C1 1698483693 IGNWYJMXQFXPFP-OXJNMPFZSA-N 433.509 2.091 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1705495104 KNJIROICHLFIGL-RXVVDRJESA-N 441.601 2.282 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1705516713 HPFXLKNTACNGIA-QYZOEREBSA-N 437.610 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCOCC)CC1 1705651459 XRBDHSILCFWNIN-UHFFFAOYSA-N 439.560 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1705675205 IIFLNIPWWXESFM-HXUWFJFHSA-N 437.516 2.031 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705726949 SLYLNDMGRMMTNX-INIZCTEOSA-N 438.623 2.318 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1705848671 MTKYPUHZCKJQPJ-UHFFFAOYSA-N 434.562 2.036 30 10 IEEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1707785680 IKMJLLKSUHCPRG-QGZVFWFLSA-N 432.532 2.469 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1711606464 HZZZTMRIIHXPPK-OAQYLSRUSA-N 447.561 2.169 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1711911169 DYAQFUJBGVHHDI-NRFANRHFSA-N 446.577 2.412 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1712453154 CYIWVUOOKIKPES-AVRDEDQJSA-N 428.537 2.378 30 10 IEEE C#CCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722341356 WPSUPFXBNSDGDT-DEOSSOPVSA-N 449.559 2.325 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1COCCO1 1722395236 VPPOBINUNKJLBA-MRXNPFEDSA-N 432.322 2.304 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 1722440532 AZDRXCVPWHJSGW-QHCPKHFHSA-N 436.604 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCCCCC2)CC1 1722445270 OAQONZRSANJVPF-UHFFFAOYSA-N 436.560 2.391 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722538101 KHUTXPFPCPUSOW-LJQANCHMSA-N 426.521 2.080 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722555867 MRYXFIZZSFEVIM-JKSUJKDBSA-N 444.001 2.065 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722580438 JWKWHKJBIOKNLE-IBGZPJMESA-N 430.597 2.417 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1722618071 OOCZQVGTYPQJGU-IBGZPJMESA-N 444.561 2.085 30 10 IEEE CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1723111251 MJKWOHGAAHNACP-MSOLQXFVSA-N 445.955 2.079 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 1730764418 OVDNRMPCECHUGQ-QGZVFWFLSA-N 434.541 2.363 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1730933222 HFXSACJQLIXXTA-FPOVZHCZSA-N 438.532 2.036 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740536729 LRGKHMZAFGMRBE-NQIIRXRSSA-N 438.576 2.354 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740623320 RFKUVPDYCGTDOA-RTBURBONSA-N 444.605 2.006 30 10 IEEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740673372 RTPCFSNPCRGCJL-FQEVSTJZSA-N 429.590 2.194 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@H](C)CC 1740729844 MYQIMNFUIQOBQB-IVZQSRNASA-N 426.521 2.303 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1(=O)=O 1740934662 NHLQQKDORVUGGU-SFHVURJKSA-N 449.577 2.212 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCSC2(CCOCC2)C1 1740958707 GHYVRJJRTIPOPE-UHFFFAOYSA-N 428.562 2.053 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1740961210 OVQWMVWDNAPKPV-UHFFFAOYSA-N 440.317 2.043 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCOCC2)C1 1740984485 CLMXQENLVCPELO-LJQANCHMSA-N 432.496 2.319 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1740985737 UFSFRLNVHVCQTF-RQZFFVEVSA-N 441.557 2.421 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741307796 NHKXDHGWKCBPBT-QHCPKHFHSA-N 433.516 2.206 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1741800418 UXDFDVPRDUMCJL-YOEHRIQHSA-N 432.488 2.220 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](F)COC)c2ccccc2c1=O 1746470610 LIMLQGZLJRGQBU-HUUCEWRRSA-N 427.484 2.255 30 10 IEEE CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1747362929 JEWLLVUEAWMZLU-QGZVFWFLSA-N 434.541 2.158 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCC1CC1)[C@H]1CCS(=O)(=O)C1 1748817244 HLYKUDZTFDUEQB-IBGZPJMESA-N 428.558 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)C1CCCC1 1748845858 BJXYCJPXJYSSGA-UHFFFAOYSA-N 446.603 2.399 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1CCN(CCN(C)C)CC1 1748848503 HAHFWSARMWCFLI-UHFFFAOYSA-N 436.579 2.354 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCc1nccc(C(F)(F)F)n1 1748965509 SMZSEIZQJAIECO-UHFFFAOYSA-N 445.449 2.401 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2scnc2C)CC1 1749011160 WQODJFKLJLPLGH-UHFFFAOYSA-N 437.573 2.257 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749022751 LXYDDRJWCYZFLE-ROUUACIJSA-N 438.594 2.143 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1749705195 GPLNEORTOJMKLM-IFMALSPDSA-N 439.608 2.395 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)F)C1 1749717649 NWPCJKXXOMYKDH-KRWDZBQOSA-N 444.486 2.444 30 10 IEEE C[C@@H]1SCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1752464618 PQIMSWDRCLUCCA-WBMIKMOSSA-N 446.577 2.029 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1760100404 VIBWGUNLSVDZBG-HJPURHCSSA-N 438.532 2.332 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760150177 LFNJOVDWTJKKTM-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCS(=O)(=O)C1 1760245977 PPWZUXNYYJLQDT-KRWDZBQOSA-N 439.541 2.014 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760494944 APMQWQBRSKNJFY-HXUWFJFHSA-N 436.560 2.309 30 10 IEEE C=CCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513751 BFHAQXHMCVIWPX-CALCHBBNSA-N 440.552 2.351 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1762425470 SVLCCNVPABHDCE-FUHWJXTLSA-N 440.552 2.057 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1767087778 HXCCBPXYQYOTHM-IBGZPJMESA-N 435.532 2.140 30 10 IEEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)C1 1767516355 XDZGSBJYOPJQLV-JTSKRJEESA-N 446.502 2.277 30 10 IEEE CCOc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1767523708 KMNBVUJYNVCNDF-QZTJIDSGSA-N 427.505 2.356 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1769293126 JYRRTDVHCKSJDI-GOSISDBHSA-N 445.495 2.099 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(SC)CCN(C)CC1 1770178157 YTSFNYXQBMYTED-SQNIBIBYSA-N 436.626 2.425 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)C1 1770354985 YLAKEJOXEWLGNE-RYQLBKOJSA-N 432.525 2.113 30 10 IEEE COC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1770776202 KQDJZDPZTZFBRF-GOSISDBHSA-N 426.521 2.207 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)ON1C(=O)c2ccccc2C1=O 1772789315 DKTBYTCXOLQVMA-INIZCTEOSA-N 436.873 2.397 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)CC2)n1 1848920966 KLPUZGSZAHHIAG-UHFFFAOYSA-N 448.479 2.072 30 10 IEEE CCOc1ccc(-n2nnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2COC)cc1 1850576893 YMHCJAQTTUUNBY-UHFFFAOYSA-N 447.499 2.041 30 10 IEEE CC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851986519 BXRDJEZTXSRKPV-RTBURBONSA-N 432.532 2.171 30 10 IEEE N#Cc1ccccc1OCC(=O)N1C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc21 1852203686 NTGCKJJVFGHXSJ-QGZVFWFLSA-N 425.466 2.054 30 10 IEEE CC1(C)C(=O)N(C(=O)CC2CC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854515690 CFQJVMRAHYPDJW-UHFFFAOYSA-N 425.457 2.132 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnc(C)cn1 1854515811 DNNBAGKOAVPTTQ-UHFFFAOYSA-N 426.498 2.267 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)CSc3ccc(F)cc3)C2=O)C1 1857108200 MKIZWTWCQCVNEZ-GOSISDBHSA-N 426.473 2.075 30 10 IEEE N#CCCCN1CC[C@@H](N2CCN(C(=O)COc3ccc(Cl)cc3Cl)C(=O)C2)C1 1857174779 DDHWDQQBRQLBJA-MRXNPFEDSA-N 439.343 2.421 30 10 IEEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCC3(CC2)OCCO3)c2ccccn12 1858243319 XKAZPZQKFVYGJQ-UHFFFAOYSA-N 431.452 2.437 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(OC)cc(OC)c1 1861485008 LHNQWIDSQCXMTL-NRFANRHFSA-N 426.469 2.272 30 10 IEEE C=CCNC(=O)[C@@H](CCCC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861608838 LKLKTVBJZUMZQP-IEBWSBKVSA-N 429.517 2.193 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)c1 1862591941 RGGAWNTVNBTJAS-OAQYLSRUSA-N 438.480 2.311 30 10 IEEE C=CCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(NC(C)=O)cc2)C1=O 1863190707 IMONXJFLGAFXMB-UHFFFAOYSA-N 439.493 2.427 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866867675 QLKPLQIQZSLNDS-RTBURBONSA-N 437.525 2.012 30 10 IEEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782484 JIWVSAMVPDEDJZ-RBUKOAKNSA-N 432.590 2.293 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccccc2F)n([C@H]2CCS(=O)(=O)C2)n1 1870005179 ZUIFNTNRJPRRQF-INIZCTEOSA-N 433.509 2.136 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)C1 1870023067 IQXRBPHUORTUFV-DAYGRLMNSA-N 442.545 2.244 30 10 IEEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873218114 XAJDPCDGBKYIKE-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 1874279560 CYYPWXVHKAMPTI-VPNURPJOSA-N 433.534 2.073 30 10 IEEE O=[N+]([O-])c1cc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)ccc1O 1874298096 JSDZFWJBAKIAAV-YBFXNURJSA-N 444.429 2.358 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874340826 VKYDEHWBKRDADM-BBJIBYMTSA-N 432.506 2.267 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc2n1C 1875197185 DMZGJLZSHQEMAY-UHFFFAOYSA-N 440.529 2.042 30 10 IEEE CC1(C)OB(c2cncc([C@@]3(C(=O)O)C[C@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 1952894000 ZZFSNXRUDHLZGR-JPYJTQIMSA-N 438.289 2.402 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC12CCOCC2 2054341306 NETRZUUTNNNXGJ-CYBMUJFWSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060623597 NNXZKVBACQZWDP-NRFANRHFSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2124542117 ZXJUBDRKCYMPSO-UHFFFAOYSA-N 444.341 2.361 30 10 IEEE COC(=O)[C@H](CCNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2255620593 YZJKXPLVBPUAKK-NRXISQOPSA-N 440.346 2.431 30 10 IEEE Cn1cc(C(=O)N(Cc2ccccc2)C2(CO)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2255653121 FCXADRFRSIGPNU-UHFFFAOYSA-N 425.338 2.277 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256674301 JREVEXJMRNNGQJ-QEJZJMRPSA-N 449.382 2.314 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2259926596 PIQAWIBTRKVWNW-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267494866 WGLWQAPXKSBQSJ-UHFFFAOYSA-N 449.332 2.459 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2267513655 QAIOJDNRNDKKRT-HOYKHHGWSA-N 436.365 2.032 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C2COC2)C1 2267557528 PQSUMIDAYQEDEV-UHFFFAOYSA-N 448.325 2.039 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2267596483 JVAHTUJVNIFGAW-QHCPKHFHSA-N 440.353 2.326 30 10 IEEE Cc1cnc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268974793 JTCPFQUHMWVOAJ-GOSISDBHSA-N 440.305 2.089 30 10 IEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCSC(F)F)OC1(C)C 2282496465 BFGHYJOLRVFALS-UHFFFAOYSA-N 428.357 2.208 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282676899 QLHMQPRMCIQWRX-RTWAWAEBSA-N 449.360 2.106 30 10 IEEE COc1ccc(N2C(=NC(=O)[C@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 2297748655 DSHDCRRFFWBCGC-NWANDNLSSA-N 430.935 2.129 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccncc1 2330730125 XRRVNAFLGOOARO-UHFFFAOYSA-N 437.529 2.485 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1ccc2c(c1)OCCO2 2331237169 YZVMHQNMUPKXQB-UHFFFAOYSA-N 433.534 2.081 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@@H](C)CN1Cc1ccccc1 2337189722 FDACEJXCHICTFI-ROUUACIJSA-N 438.381 2.454 30 10 IEEE O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 90730811 KSWOGHXIQCWDOQ-UHFFFAOYSA-N 442.493 2.012 30 10 IEEE C[C@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)n1cnc(C#N)n1 409777904 SCSNULPUTPBZOL-BLVKFPJESA-N 445.451 2.298 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1C#N 427115475 SDQCBIRPJGYWON-UHFFFAOYSA-N 426.454 2.281 30 10 IEEE Cc1ccc(C(=O)NCCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c(O)c1 436957060 RLDIJOMFQNPVLG-GOSISDBHSA-N 438.509 2.232 30 10 IEEE C[S@](=O)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1F 446190477 BYPDQRHAOAJQOD-HICLKNGOSA-N 444.488 2.275 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 461730294 RZPDFSXTMZGSAH-OTWHNJEPSA-N 428.500 3.014 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc3c2OCCC3)CC1 467778339 PUSCUGHOZGTFPR-UHFFFAOYSA-N 426.498 2.422 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc([C@H]3CCS(=O)(=O)C3)n2C)CC1 480919025 BQXPYSSTTPVHFT-QXGUJMOYSA-N 439.607 2.129 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1C#N 489868362 YYXCSGMMKHMYMC-UHFFFAOYSA-N 433.433 2.163 30 10 IEEE COCCc1cc(NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)n(C)n1 494285137 MNCYTVXVYUDWKQ-UHFFFAOYSA-N 436.520 2.311 30 10 IEEE CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1c1ccc(F)c(F)c1 497486950 UYIDBPUQANSDAP-VQTJNVASSA-N 448.495 2.332 30 10 IEEE C[C@H]1C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO 504665032 GGXMRPUKBWXVHE-IRYMQWJZSA-N 444.902 2.410 30 10 IEEE COCCNC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 509434198 GJSQFMLURWYQPB-UHFFFAOYSA-N 443.525 2.167 30 10 IEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)nn1-c1cccc(C#N)c1 512941309 RIRHTXOEIGOWHO-IBGZPJMESA-N 429.480 2.462 30 10 IEEE C[C@@H]1Oc2ccccc2N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 522866454 FZRGHNNEXNMPOX-KSSFIOAISA-N 436.493 2.212 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 531591252 LHQMKRQQKYINII-HNNXBMFYSA-N 446.495 2.020 30 10 IEEE C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 540049257 BGBXFIIRAXTSAA-UHFFFAOYSA-N 434.470 2.207 30 10 IEEE N#Cc1ccc(NCC(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)nc1 557880679 FSOBDIVFRSTKNB-DENIHFKCSA-N 432.455 3.072 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CC2)c1C#N 562242686 HNOQUQGXTMTXJD-UHFFFAOYSA-N 440.508 2.134 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(-n2cncn2)cc1 611433165 OEFQEVXUNPBWNG-FDDCHVKYSA-N 447.518 2.466 30 10 IEEE CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665096 XCTVBAIVLHYKEW-RXVVDRJESA-N 437.569 2.285 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCN1C1CC1 732706469 KQSLKGWNVFHAPO-NRFANRHFSA-N 443.507 2.027 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1C)c1ccc(C#N)cc1 745209457 ALYVMQVWLQNJPO-IBGZPJMESA-N 428.466 2.478 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 748066847 VNKDWOODAFAJEH-UHFFFAOYSA-N 432.549 2.437 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 749524661 XWIWEVGNMKIHSW-INIZCTEOSA-N 449.573 2.476 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCNC(=O)OCC(F)(F)F)cc1 749619990 GQSOPAAPLZLENP-CYBMUJFWSA-N 430.408 2.077 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 749789233 UNPSLQCFTTZTKL-ZWKOTPCHSA-N 436.553 2.250 30 10 IEEE C[C@@H](C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 752612095 AJQSWGHSZSXWOM-QRWLVFNGSA-N 441.509 2.261 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCCO2)CC1 752851189 PBVUYVJJGCOIBD-LJQANCHMSA-N 425.533 2.287 30 10 IEEE CN1C(=O)C[C@H](NC(=O)NCCNc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 754872463 CVTQWDPKWYVYRL-FUHWJXTLSA-N 430.871 2.429 30 10 IEEE O=C(O)C#CCNC(=O)CCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 757472274 WFGWECBDVRAREF-UHFFFAOYSA-N 436.464 2.136 30 10 IEEE C=CCN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(CCOC)c1 789971095 UUWQXTVFRCBFEA-UHFFFAOYSA-N 445.570 2.432 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@H]2CC[C@@H](C(=O)OCC)C2)c1 797818570 NRIVSEBZVBPNSW-BPQIPLTHSA-N 427.526 2.467 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 803573037 BDCPOPNEPYNPIV-VHEBQXMUSA-N 436.440 2.245 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(c2cccc(Br)c2)CC1 803677695 HJDKKZIEJGVDJR-VHEBQXMUSA-N 433.306 2.014 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 809887538 ZACMYBGDBHNLAI-OAHLLOKOSA-N 436.557 2.123 30 10 IEEE C#C[C@H](NC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(Cl)cc1 811962919 CRMMEWKPIZOFQH-ACJLOTCBSA-N 448.932 2.249 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccco3)n2C[C@@H]2CCCCO2)CC1 812435843 XFXLBTLNTWSARL-FQEVSTJZSA-N 425.533 2.191 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)cc1 1132098256 HZSACBONZFEPPR-GOSISDBHSA-N 430.555 2.122 30 10 IEEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 1136457752 CADKDVJKILCRCG-UHFFFAOYSA-N 430.549 2.442 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)N4CCC(O)CC4)c3)cc2C1=O 1137982139 PZAXQHBKZZWDEZ-UHFFFAOYSA-N 433.464 2.318 30 10 IEEE COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1157866360 WLKGSESEMNSDLQ-INIZCTEOSA-N 426.853 2.248 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1159759211 JCADAKYKSQEWRU-QZTJIDSGSA-N 432.542 2.421 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c1 1161547640 MCXMJCWJRYIOFA-UHFFFAOYSA-N 426.494 2.234 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCOCC)c(C(C)C)c1 1185674149 GCCOOSHVQZCGGY-QGZVFWFLSA-N 443.587 2.036 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cc(F)c1F 1192483638 COQMSGAPNPMFJT-UHFFFAOYSA-N 427.454 2.195 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 1228982453 GNNHQUGSOIXFOQ-OXQOHEQNSA-N 428.508 2.049 30 10 IEEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 1264202460 ZOHAQKPYXLGLJG-ZWKOTPCHSA-N 440.481 2.103 30 10 IEEE CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1 1274561808 AIQLHWOVNKXFAM-FQEVSTJZSA-N 427.526 2.448 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286335102 FDFIAWKVLCJTAN-UHFFFAOYSA-N 436.564 2.168 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286354284 KLYSQDCKMOWOGL-GOSISDBHSA-N 426.546 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CC 1286421931 HJWNCUZODIMFQT-JOCHJYFZSA-N 442.589 2.171 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ncccc2N(C)C)CC1 1286479312 PZOJBHSZPPADMF-UHFFFAOYSA-N 429.572 2.442 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1286480860 PQJIFEXOJDSFLK-MOPGFXCFSA-N 425.533 2.013 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2OCCOC)CC1 1286486053 GKRQMASQWOANQY-UHFFFAOYSA-N 439.560 2.441 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCCO[C@@H](C)C2)CC1 1286486499 NGACNNDTBJQMHA-UXHICEINSA-N 444.624 2.258 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1286567093 USXPZXKMXVBXOL-AUSIDOKSSA-N 439.560 2.379 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(CC)CCS(C)(=O)=O 1286567743 WGHGBGGFYIBTEJ-QUCCMNQESA-N 433.578 2.116 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286606935 HJMPZUNXCUOZHK-UHFFFAOYSA-N 449.563 2.117 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286782487 WMXKCHCFYDOOTH-IBGZPJMESA-N 430.516 2.236 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(C)=O)CC1 1286783376 PZVRJCQMOQQAMA-UHFFFAOYSA-N 434.903 2.145 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(c2cnn(C)c2)CC1 1286784539 KVYWWGDNOAWNGA-UHFFFAOYSA-N 435.532 2.373 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1287085250 CSBCMQKREIGRPK-ZOKDDAQRSA-N 428.562 2.066 30 10 IEEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1291356602 GVWHKCFEWATKRB-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(OC)C1CC1 1297288168 RDYODYZTMCFMIN-JOCHJYFZSA-N 425.537 2.223 30 10 IEEE C=C[C@H](C)ONC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1300210629 JHIUMHHUSBBPOU-IGCXYCKISA-N 445.969 2.357 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1300345402 VUWHPBFGPPJHBD-UHFFFAOYSA-N 426.340 2.074 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1300493124 QNXWNNUFPUTFFL-FQEVSTJZSA-N 427.574 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300561967 WQGYTPYXFSBMCS-GOSISDBHSA-N 426.542 2.241 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccccc2)CC1 1300710744 JUDSLQMRYOFBPF-URVUXULASA-N 439.560 2.225 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2nccc(C(F)F)n2)CC1 1300727479 YSPACKMCUYEGDL-UHFFFAOYSA-N 431.491 2.218 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C2CCCC2)CC1 1301259973 UQTKQUBHXWWCQS-UHFFFAOYSA-N 430.597 2.448 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1)C1CC1 1301317433 RTKKACIXJJLUTQ-UHFFFAOYSA-N 427.534 2.173 30 10 IEEE C=CCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474263 XGFQCICZFJFQAT-TWMKSMIVSA-N 430.553 2.482 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3nsnc3c2)C1 1301536700 YXTUCJUTFBCHLA-HNNXBMFYSA-N 427.534 2.251 30 10 IEEE CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CCO1 1306452011 ULVFFLYKQOLLAC-CQSZACIVSA-N 426.502 2.398 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 1307412514 GWVGEIAJZMGNTO-IFMALSPDSA-N 443.931 2.483 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc1Cl 1352183202 DEQVKXSPOLNJPO-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC(=O)NCCC)c1 1358901382 JBBIWMPTCQWZJW-UHFFFAOYSA-N 447.543 2.256 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1358931568 GFRDPZMCEMMGTI-UHFFFAOYSA-N 426.540 2.068 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358960666 JFEJLYBFDUETAG-IBGZPJMESA-N 439.516 2.463 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358964424 YYXWPYZOTMCNQA-IBGZPJMESA-N 430.574 2.355 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCc1nccs1 1359086567 BCWPHQQQLNBOSN-UHFFFAOYSA-N 425.356 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359100848 GXEITVCDDKLUHQ-REWPJTCUSA-N 444.624 2.202 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCOCCS(C)(=O)=O)CC1 1359179871 JGRHHFVNRZPCFM-UHFFFAOYSA-N 436.553 2.472 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1359228260 YFRKSKXQUQWTPR-QFBILLFUSA-N 427.505 2.085 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1359271401 TVLNASOJMAPNLF-RBUKOAKNSA-N 440.548 2.383 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCS(=O)CC1 1359304221 QOFHQSWLIZEPRD-UHFFFAOYSA-N 445.589 2.160 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@]3(CNC(=O)OC(C)(C)C)CCCOC3)CC2)c1C#N 1436556705 RFINORGDNNQZRE-OAQYLSRUSA-N 449.577 2.293 30 10 IEEE CNC(=O)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1ccc(OC)c(F)c1 1437087128 UYQLAPLVGPYWLG-CYBMUJFWSA-N 438.381 2.454 30 10 IEEE COc1cc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)ccc1C#N 1449086535 NEIYPAFSJNLJRJ-IPALMDDQSA-N 435.402 2.169 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(CC(=O)Nc1ccc(C#N)cc1)C2 1460770395 HVPVPTVWCLXXQC-WLENULPWSA-N 442.516 2.275 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1469984355 WBWDRTHZYOKJOP-GOSISDBHSA-N 438.622 2.103 30 10 IEEE C[C@@]1([C@H]2CCCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)COC(=O)N1 1470672740 WWCPEMMMLZAWBK-CVDCTZTESA-N 425.533 2.443 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncn(-c2ccccc2)n1 1504966061 QYGCIOVUDPALPO-HRAATJIYSA-N 440.483 2.073 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCC[C@H](O)C2)c1 1507552871 VCIOLIUHSFGVGX-QUCCMNQESA-N 425.533 2.422 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507634818 PWKVKSJMWZXQTC-OAHLLOKOSA-N 442.463 2.414 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507634828 PYKHOJXYWGNTFD-SFTDATJTSA-N 440.569 2.149 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)CC1 1507895747 CKVOXHPEVIRYKU-CQSZACIVSA-N 433.534 2.068 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1507926029 NZQOKJINKOZNLR-INIZCTEOSA-N 441.598 2.367 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1507966106 YPZKZSDPRXPMHR-HSZRJFAPSA-N 428.533 2.466 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC[C@@H]1C 1508073543 YMZRUQLRCRQIQF-INIZCTEOSA-N 428.562 2.391 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508086053 KNTJQEAWZLDRJK-GOSISDBHSA-N 442.539 2.053 30 10 IEEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1509133230 BUQDEWRQGARWDA-LJQANCHMSA-N 430.578 2.409 30 10 IEEE C=CCOCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1533814713 PKASZJBUUSIKNN-NVXWUHKLSA-N 430.364 2.361 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(-n3ccnn3)ccc2F)cc1 1534146298 FVSBYBRAIPXMGN-CLCOLTQESA-N 442.476 2.472 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1535780878 JTWPRFJNGIBEGE-QFBILLFUSA-N 433.505 2.400 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1538977998 ZJXSNWVUCRCNJM-FDDCHVKYSA-N 431.581 2.425 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1539211490 MRWCDVBOJNXQFH-XBMUEBEBSA-N 443.573 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539257263 QECYBWPMLBCXLT-MJGOQNOKSA-N 437.548 2.397 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC(=O)NCc1ccco1 1539337458 OSHYUBMYRVYSEC-UHFFFAOYSA-N 435.459 2.369 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCNS(C)(=O)=O 1539385047 VHJWSTUOBJVAFQ-UHFFFAOYSA-N 431.493 2.175 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1539430644 KINFWIHWYQEIAX-JTHBVZDNSA-N 436.604 2.448 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1539612523 MVYQQUQFSXHKMJ-WMZOPIPTSA-N 426.521 2.061 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1 1539615986 MWTOVNBHAMYTIS-XDNAFOTISA-N 425.599 2.496 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1539990795 QWCJAGSUDJGBPE-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540866514 POFYQNGYKOPYAV-MLGOLLRUSA-N 449.342 2.269 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1540868991 YTXHEUAVFXWRFB-UHFFFAOYSA-N 432.532 2.427 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)CC1 1540872121 DETAGHTUTROEJD-UHFFFAOYSA-N 432.519 2.227 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NC)CC1 1540881033 XEPDBFCBSTVVOB-IBGZPJMESA-N 425.533 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccccc1C 1540902790 QGOQGCCESMQAIA-RBUKOAKNSA-N 443.573 2.480 30 10 IEEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H](C)C#N)on1 1543436999 CHCHIACRZVCLLC-AWEZNQCLSA-N 443.533 2.136 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)c1 1555011934 LPJKRMRODHGMKM-UXHICEINSA-N 427.505 2.268 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N(C)C 1555054212 LZTHMUHXKUGNPA-SFHVURJKSA-N 446.559 2.497 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1F 1557869408 WRLGVGSLENJDON-HIFRSBDPSA-N 441.525 2.418 30 10 IEEE N#C[C@@]12CN(C(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1558511523 UIJISXORODEIEK-RRPUWOKSSA-N 440.521 2.086 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)c2C#N)C1 1586958552 OEPDMRYWNYKYPI-UHFFFAOYSA-N 436.493 2.426 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 1587586669 VARJONZMFMOIFO-UHFFFAOYSA-N 437.424 2.294 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1587889077 UAVMIJQNYDVFEJ-UHFFFAOYSA-N 431.562 2.129 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1588040782 QJVXUYJOJDLBNY-QGZVFWFLSA-N 449.964 2.213 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1588044688 ATTSYZOLKZWMMQ-KRWDZBQOSA-N 439.516 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@](C)=O)CCC1 1588099177 IWTCWHQBWSYNKZ-PMERELPUSA-N 426.542 2.336 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1589484643 UVXKIMNALNJTFS-TZIWHRDSSA-N 430.597 2.127 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC(C)C)C1 1593735946 VEZFODRGUGGPEA-QGZVFWFLSA-N 447.536 2.229 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1593763450 KRURKVDQOMJUPD-UGKGYDQZSA-N 430.553 2.117 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1595517253 VELLBBLQFPDSML-INIZCTEOSA-N 429.521 2.270 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)[nH]2)c1 1595534336 GSVYPXQQSJLCSM-UHFFFAOYSA-N 430.399 2.066 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@H](C)C2)cc1 1595607601 IHZPMUQQNLOVJW-BBWFWOEESA-N 449.577 2.115 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)cc1 1595614519 WJIITUWATUUMDM-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1595859943 FBWQPURDHQDHCI-UHFFFAOYSA-N 444.580 2.404 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CO1 1602848028 GGCLAPQXLBVEBF-KBPBESRZSA-N 434.880 2.232 30 10 IEEE COC(=O)C[C@@H]1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1603466106 OJZZRRTZORABRT-CVEARBPZSA-N 435.546 2.134 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1611060105 PFRDRPQPHVSFHK-GOSISDBHSA-N 426.521 2.246 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1612241689 HMWKDMQYAIILEV-NRFANRHFSA-N 447.536 2.432 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@H](CO)C(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2O 1614467825 DZPROHKVTKFBQP-UYNRARJGSA-N 448.560 2.244 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1618865950 AGPSUUZKDFGEOY-UHFFFAOYSA-N 448.483 2.229 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)C(=O)/C=C\c3ccc(F)cc3)C2=O)c(OC)c1 1623605758 GOQHFKQNXUSNSJ-HIZXUYSRSA-N 426.444 2.343 30 10 IEEE C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1624022592 CSYLCMWLCSPEAD-HNNXBMFYSA-N 426.844 2.129 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1625299636 LQAJTJALYVLWMS-MRXNPFEDSA-N 436.944 2.285 30 10 IEEE N#Cc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)c(I)c1 1626249926 QJRDTLADYQHDRT-UHFFFAOYSA-N 445.220 2.297 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 1634973067 UDONEKBPZRFQOF-UHFFFAOYSA-N 438.513 2.469 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)CC1 1636468984 GQOFFWVJSDXPJK-MRXNPFEDSA-N 437.949 2.497 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccc(C(=O)OC)cc2OC)c1 1637507543 GYJARDJXWQQDCX-UHFFFAOYSA-N 429.494 2.251 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(C(=O)OC)cc3)C[C@@H]2C)c1 1644516685 VTPUPDUYQYZFIH-KRWDZBQOSA-N 434.496 2.313 30 10 IEEE C#CCN(C(=O)CCCn1ccc(C(=O)OC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789549 ICDSWWANZLDLRO-UHFFFAOYSA-N 432.521 2.311 30 10 IEEE C[C@@]1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1(Br)Br 1644912222 UNHUAPWCVHZGNV-AWEZNQCLSA-N 428.128 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(C)(C)[C@]3(O)CCCOC3)C2)C1 1646347555 XSKJBQOIASMBJD-WTUDNYSQSA-N 435.565 2.457 30 10 IEEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN1C1CCCC1 1651770394 SHKDWSFTVPYJAJ-GOSISDBHSA-N 444.601 2.434 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1664652252 OEIBJVUJEAHBOK-UHFFFAOYSA-N 436.299 2.425 30 10 IEEE CN(CCOCCNC(=O)N1CCN(c2ccccc2C#N)CC1)C(=O)OC(C)(C)C 1674540026 AYIRUSVRIYUBEC-UHFFFAOYSA-N 431.537 2.273 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1679245313 ZMPRHHOYWNTGQA-NRFANRHFSA-N 428.510 2.385 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CCN(CC(F)(F)F)CC1 1681227093 NQDIUWSXPJWBDM-UKRRQHHQSA-N 433.475 2.414 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1684225717 HYLVQAMXHGINCN-RPWUZVMVSA-N 433.556 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCOCC1 1690036165 YEXJMBANKICLRI-UHFFFAOYSA-N 430.512 2.340 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCC[C@@H]1C 1690104370 VCLGHWYTHKVRGP-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690493573 LVZYQSJQORNDCK-INIZCTEOSA-N 437.541 2.433 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690670988 MXJQYYPDRRHYGQ-GJZGRUSLSA-N 431.459 2.022 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1690671105 OZRSOHTWRBRFBA-VQTJNVASSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1690673161 PYGCFRXQFDCRIO-KRWDZBQOSA-N 443.523 2.085 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1690677941 FPMBCSCDMRVITO-QFBILLFUSA-N 427.505 2.098 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)C1 1690697210 QLVFHUYADBANJW-NUEKZKHPSA-N 432.550 2.223 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1693876097 HHXPGHVWOWXOFY-DKICVRJWSA-N 449.964 2.492 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC(C)C)CC1 1697012490 ASGFTZFJDNXDDW-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE CO[C@H](CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(F)(F)F 1697141635 KZIXZXUWZODGMT-DAYGRLMNSA-N 447.458 2.015 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CSCCS1 1697617669 FHWBBHRGNYNJDM-HZPDHXFCSA-N 447.586 2.443 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1705490069 BLWHCAKDXCZKQE-IAGOWNOFSA-N 436.516 2.109 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705532747 QNWPAKPGMMSAHV-MRXNPFEDSA-N 429.471 2.436 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1705564235 MSMCDLRQURGHSW-SFHVURJKSA-N 439.516 2.349 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N(CC)CC 1705580506 KYFSWBWKXGJYNZ-LJQANCHMSA-N 445.571 2.478 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1705637599 DKBPUCJEWWYHNW-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908884 XLDXFEGMNJNPBY-NCOADZHNSA-N 430.553 2.340 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1710122955 IETDVYRIVBKIMY-NYDSKATKSA-N 441.532 2.274 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1722301074 VAEFZTOYDIJJRF-NRFANRHFSA-N 444.587 2.329 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC#C)CCOC 1722328516 VXANIKRISXUWFV-UHFFFAOYSA-N 428.562 2.046 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722336221 UFCQJJFKRLHBEY-SFHVURJKSA-N 435.619 2.452 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(OC)CCCC1 1722376233 YWZLRBRLWDFSEC-UHFFFAOYSA-N 426.542 2.381 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCC)CC2)CC1 1722440473 HMMKZRWNHHLITB-UHFFFAOYSA-N 449.559 2.472 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722441049 FZSWKSMNOOMRMK-ZJSXRUAMSA-N 446.555 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOC(C)C)CC1 1722444662 DACGEYIWBGJBEY-UHFFFAOYSA-N 439.516 2.065 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1722492804 VEQLWWNDDCQIRB-OAGGEKHMSA-N 443.639 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722695403 BOIQKHHNBXMQJD-DLBZAZTESA-N 428.924 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722697047 DXPNNVNTFDIOLK-UHFFFAOYSA-N 433.516 2.394 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)C1 1722721400 JPFTZUVLXYSPGJ-WZONZLPQSA-N 425.533 2.137 30 10 IEEE COC(OC)c1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1729906071 WBLJXYCSGQNCAI-INIZCTEOSA-N 448.531 2.303 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O 1740541426 YZIHJZMPGQOKBZ-CYBMUJFWSA-N 440.367 2.023 30 10 IEEE C#CCCCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1740578912 NDKIORHTXZYCHZ-QHCPKHFHSA-N 429.565 2.182 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740622303 WZGFCASVHTZWQL-IAGOWNOFSA-N 446.598 2.334 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)C(=O)NC)CC1 1740692489 WRPRMOBUZYLOGE-UHFFFAOYSA-N 444.967 2.135 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1740725111 MRLQKPWISDROTR-KSFYIVLOSA-N 438.557 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCSC2)C1 1740993338 YDBZYKASXWFLQR-HXUWFJFHSA-N 433.603 2.198 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1741134051 WTLCQOQATGCWPQ-KXBFYZLASA-N 436.472 2.296 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCSC1(C)C 1741675736 KIVBKLWPNIGGKQ-NVXWUHKLSA-N 431.610 2.125 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1Cc2ccccc2O1 1741930114 DGHFIIDTPKESHK-HZUJVAHNSA-N 444.561 2.022 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1743420400 PMNVWWPKARWURL-ROUUACIJSA-N 444.511 2.208 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1748817666 NVAOZXNMITUTKO-CYBMUJFWSA-N 443.392 2.340 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1748818885 HKZFYZQXRDQFFK-RXVVDRJESA-N 445.614 2.176 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1748875719 WAVLECNFQQDGQB-SFHVURJKSA-N 442.564 2.138 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1748906910 ZMODVSZQOMZUJR-SFHVURJKSA-N 443.511 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](CC(C)C)N(C)C)CC1 1749019200 OJYGQKZOWUWGGM-WOJBJXKFSA-N 430.597 2.072 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749019863 DUVHDHIHRKAXDJ-ZDUSSCGKSA-N 440.451 2.059 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749020027 IURWNABBTQMAGM-HTAPYJJXSA-N 449.621 2.337 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](OC)C1 1749229907 QRUJZHCRRKQPMU-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=C(C)COCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1749241119 FOPFSBPRJOWOJL-ZFWWWQNUSA-N 442.492 2.293 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1749331336 YGHHVWGTLVOUOR-XXBNENTESA-N 433.597 2.301 30 10 IEEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1749372769 KUNDOSZEEXIAEN-QYZOEREBSA-N 426.496 2.129 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749425212 YRHXLFLDOSMSHG-RXVVDRJESA-N 438.580 2.080 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749659197 XRGCJHSXTUUHLJ-UHFFFAOYSA-N 439.501 2.495 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1749669026 BRVOUQXOGJACKD-KRWDZBQOSA-N 428.581 2.323 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(F)(F)CO2)CCO1 1750387398 XXPHGTJCVLGDLA-VXGBXAGGSA-N 443.252 2.189 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760135685 FIKSXTAZDOSQEJ-IBGZPJMESA-N 428.562 2.148 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1760192251 HBFFRECTSQVMOK-FQEVSTJZSA-N 430.574 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccc(OCCO)c(OC)c1 1760217077 OEZKNLZEGZZRHQ-UHFFFAOYSA-N 431.496 2.231 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(C)(=O)=O 1760244905 LABZITTUNWKOGK-OAHLLOKOSA-N 436.603 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(CC)CC2)CC1 1760264983 JOLCYSJLYBTJLK-UHFFFAOYSA-N 428.581 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC2CCCCC2)CC1 1760270449 XTIWVMWEVSWUPS-FQEVSTJZSA-N 443.592 2.487 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC(N)=O 1760275105 ZWZIMVFWIOKWPA-LLVKDONJSA-N 425.356 2.102 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760392440 QANMIEWORDJABF-UHFFFAOYSA-N 446.573 2.262 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760399077 XYJXRRVHVPDPRQ-QFIPXVFZSA-N 430.574 2.460 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760432863 NVHYWFCBHSLHHO-AWEZNQCLSA-N 445.549 2.140 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@H]1C 1760502530 BXKGIIJHCLDROT-FDDCHVKYSA-N 438.532 2.310 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1760547126 DVVXVBWDDXSIQT-XTQVGHSUSA-N 444.532 2.187 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1762651172 BRNIIYSDMUVFNR-UHFFFAOYSA-N 449.515 2.307 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCNC(=O)C1CCC1 1764932322 NGEYGZDWMDCUBK-UHFFFAOYSA-N 435.576 2.341 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)C1 1770354984 YLAKEJOXEWLGNE-BPQIPLTHSA-N 432.525 2.113 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1)OC 1770761490 HLZFTJZTQKVGDV-KRWDZBQOSA-N 438.454 2.162 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1772515452 GWUPDRMHXBYRPF-NRFANRHFSA-N 446.603 2.474 30 10 IEEE CCC(=O)N1CC[C@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)C1 1852397811 CZHKEWHEBJWOPZ-JTQLQIEISA-N 449.252 2.303 30 10 IEEE CCCN(C(=O)[C@H]1CC(=O)N(C2CCN(C)CC2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852431626 DIFITMUKHCTLBX-SFHVURJKSA-N 425.533 2.150 30 10 IEEE Cn1nncc1CN(CCN(Cc1ccco1)C1CCCC1)C(=O)c1cnc(C#N)nc1 1853419187 IIAMLZDGKGUHPQ-UHFFFAOYSA-N 434.504 2.157 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861244886 QNTSBJFJIZRRAG-NRFANRHFSA-N 439.512 2.073 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861506711 ZNYFRXFKRBGISG-FQEVSTJZSA-N 435.480 2.040 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)c1 1862558337 WNOXEABFDSQHCI-OAQYLSRUSA-N 437.496 2.188 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)cc2F)n([C@@H]2CCS(=O)(=O)C2)n1 1870005077 WCPOKSRVIPYFIN-CQSZACIVSA-N 437.472 2.347 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCOCC1 1870519646 AJCQHSSNADRKCV-UHFFFAOYSA-N 437.581 2.182 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OC)cn1C[C@H](C)O 1870747600 LCRIHJNDVWTSGK-SFHVURJKSA-N 441.528 2.429 30 10 IEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 1874279558 CYYPWXVHKAMPTI-FVUPAENESA-N 433.534 2.073 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874302924 XZBVAQBWPLAOIN-FSJBWODESA-N 439.497 2.425 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2010032685 ZVVYLJOXSBFFLZ-LSDHHAIUSA-N 441.525 2.167 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)C1 2020900472 TUMIKKXUVQAUKE-AWEZNQCLSA-N 439.509 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)[C@H]21 2060635191 JHNPDUWRJABSEI-GVDBMIGSSA-N 434.342 2.411 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060641458 JQHCMHHGIQEBTJ-HIFRSBDPSA-N 432.330 2.265 30 10 IEEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2243411794 AGMQNRFCWBJJHV-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247920570 ZQSSMWVYCPUEDX-QWHCGFSZSA-N 437.371 2.394 30 10 IEEE COC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2248429290 LCTZZHWPUBVQMW-UHFFFAOYSA-N 439.343 2.017 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248440888 JQMHBWMCAFOPGZ-UHFFFAOYSA-N 427.257 2.479 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2255544606 BYZOUFGTSKZANC-HZPDHXFCSA-N 432.326 2.422 30 10 IEEE CCN(CCN(CC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255627041 NEFNIMVBIIGGQR-UHFFFAOYSA-N 436.362 2.428 30 10 IEEE C[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)N(C)Cc1ccccc1 2255745944 QVKBNKYZVJFSLR-QGZVFWFLSA-N 445.394 2.180 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830867 LVVUKFMQXTUGCU-CQSZACIVSA-N 436.362 2.426 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2255831554 XONWAWLCKZATBJ-CQSZACIVSA-N 434.346 2.038 30 10 IEEE Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143595 KGOYSEWBLISHCQ-VQIMIIECSA-N 438.381 2.278 30 10 IEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267145952 JYKVWKJFUANVED-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE Cn1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267179790 VCWPXJOHZCYWKK-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2267180364 CWXYXNZXZYDLBI-QUCCMNQESA-N 436.365 2.066 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267268055 PFSAQMDYIQEVPS-LSDHHAIUSA-N 446.357 2.009 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267514543 ARYCHERCQVUQIR-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@H]12 2267844634 MDJKYZOWXXXWQQ-LZQZEXGQSA-N 445.369 2.296 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871066 LHZVCCCSNHWEQO-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267871341 OIVWGIXCUDFYAV-LSDHHAIUSA-N 446.357 2.009 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268712849 UTFURTCITJFGGJ-HOCLYGCPSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCOC1 2272567895 AACXQOROOZXYNC-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE C=CCC1(CN)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2287687033 VUWMMTCWZDNZMG-UHFFFAOYSA-N 433.574 2.256 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3occc3B3OC(C)(C)C(C)(C)O3)CO[C@@H]1C2 2312836365 RDWMAWMMEFBJBC-MCFFVMPBSA-N 434.342 2.493 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334261543 WBBQPGYQKVAPQF-FMKPAKJESA-N 446.357 2.227 30 10 IEEE Cn1nc(I)cc1[C@H](O)[C@@H](N)C#Cc1cccc(Br)c1 2360925479 IQSCZIHGFZLMLX-SMDDNHRTSA-N 446.086 2.200 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 10665340 YZBXICLTUYQVSU-UHFFFAOYSA-N 443.485 2.002 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 11242504 HDYZYIDDTUBCRM-HRAATJIYSA-N 435.546 2.073 30 10 IEEE C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2[C@@H](O)Oc4cc(OC)c(OC)cc4[C@]2(O)C3=O)O1 31163272 XIEXZMWPZITEKI-ABDYDURRSA-N 426.421 2.126 30 10 IEEE biogenic C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)(C)C)CC1 36211653 XSJUSMJECBJHPL-NRFANRHFSA-N 443.544 2.491 30 10 IEEE CCn1c(=O)n(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c2ccccc21 109887346 UFFQJPUYYJPAJI-IBGZPJMESA-N 435.509 2.235 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCc2ncncc2B2OC(C)(C)C(C)(C)O2)C1 382600438 OCIMBZFOCZTJQW-INIZCTEOSA-N 432.374 2.260 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 461294261 NBGLMCKWFFMGJR-LJQANCHMSA-N 446.486 3.006 30 10 IEEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]2CCCO2)c1=O 461345896 FNMCLRMDWQIRIA-QGZVFWFLSA-N 444.528 2.355 30 10 IEEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1F 472100270 PSNDKKUJGATHKK-UHFFFAOYSA-N 438.502 2.333 30 10 IEEE COc1ccc(OC)c(CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1 478133059 KKFOYJTWROJNLU-UHFFFAOYSA-N 433.505 2.362 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 506267428 DWODLGYWGRDUPC-UHFFFAOYSA-N 430.556 2.413 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 507541074 ZPPYEWMZGJPRFJ-UHFFFAOYSA-N 428.514 2.354 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516373798 PJUKODPFQJWCFG-UHFFFAOYSA-N 446.532 2.258 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)nc1 531884096 HOTPUHSKIHHOGS-UHFFFAOYSA-N 430.533 2.123 30 10 IEEE C=CCn1c(Cc2noc(/C=C/c3cnc4ccccc4n3)n2)nnc1N1CCOCC1 546348428 XAJJCZYLYGAUIE-BQYQJAHWSA-N 430.472 2.388 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)NC2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 586085116 RVRQYPBTRYHRED-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@@H](C)C(=O)OCCC(C)C)nc1C 586304557 PPKWZYYPBRCHQA-OIJAAMDRSA-N 430.548 2.459 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCC#N)c1ccc3c(c1)OCCO3)C2=O 603823941 JYKVRAVFMZYURK-UHFFFAOYSA-N 426.473 2.205 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CCC(=O)N2C)cc1 609658911 IJZHGNRQQDQOLU-IFMALSPDSA-N 433.512 2.220 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 610698174 NJRBCANJEXZTQD-HKUYNNGSSA-N 430.516 2.286 30 10 IEEE CCn1c(=O)c(C(=O)CNc2ccc(Cl)c(C#N)c2)c(N)n(Cc2ccccc2)c1=O 671096935 WBORZBCXVKHDFF-UHFFFAOYSA-N 437.887 2.480 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2c(C)nn(C)c2C)cn1 726111801 WDQRGYZRWLZTRI-GOSISDBHSA-N 443.577 2.096 30 10 IEEE C=CCn1c(C)cc(C(=O)CN(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C 728916071 RNQAVKHUWKVZMA-UHFFFAOYSA-N 432.565 2.485 30 10 IEEE C[C@@H](c1cccc(F)c1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 729271872 HLPHEGSIQPVKQP-INIZCTEOSA-N 444.532 2.160 30 10 IEEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730136680 AHSVMPBWDALSDI-MRXNPFEDSA-N 428.505 2.001 30 10 IEEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cc1 730139499 QOEQFCABPRDSKY-RTBURBONSA-N 432.590 2.427 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735333811 IKATZDXTNFLDDK-UHFFFAOYSA-N 436.873 2.467 30 10 IEEE C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 752609935 NCOKMWBSGBEHMI-LSDHHAIUSA-N 429.498 2.482 30 10 IEEE CC(C)(C)OC(=O)CSCC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754773382 UWMQYHXXVLIIES-UHFFFAOYSA-N 449.348 2.201 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC23CCCC3)cn1 757924892 PKMHIQJAJFSMJN-IRXDYDNUSA-N 445.589 2.422 30 10 IEEE CC(C)(C)OC(=O)NCC1(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCCC1 768077460 DREOCOBRBKPYPB-VHEBQXMUSA-N 434.537 2.494 30 10 IEEE Cc1cccn2c(=O)c(C(=O)OCCC#Cc3ccc(CN4CCOCC4)cc3)cnc12 773803136 OOJOOAKSCHZKPM-UHFFFAOYSA-N 431.492 2.434 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)n1 788688347 MIPSXGPAGLLRDL-UHFFFAOYSA-N 429.433 2.200 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)n1 788813352 FAKJOQWEHQRLRO-QHCPKHFHSA-N 442.491 2.242 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)n1 789223706 NCHDJHHMSBIECL-HKUYNNGSSA-N 433.553 2.320 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 802556761 ZADJBOSYBISUEG-GOSISDBHSA-N 426.521 2.243 30 10 IEEE C[C@](C#N)(NC(=O)COC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)C1CC1 803921437 MDFZGXPFQOJUDK-SAWYMBPVSA-N 426.448 2.441 30 10 IEEE CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 808154070 KJSZNCHPPWOOTD-JOCHJYFZSA-N 428.489 2.013 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813745388 IIOWQNGYGATHFA-AHRSYUTCSA-N 434.562 2.492 30 10 IEEE N#Cc1ccnc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 915795870 VAUDVQBYUQISIU-NTUHNPAUSA-N 428.539 2.190 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2c(O)nc3ccccc32)c1 918616287 KNLDFTAJWOIQJN-PTGBLXJZSA-N 427.486 2.193 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1 1124212579 QLYCHISVKJBVBJ-UHFFFAOYSA-N 444.344 2.308 30 10 IEEE COCCN(CC(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2)C(=O)OC(C)(C)C 1131603632 BWEAYUBONVQKLU-UHFFFAOYSA-N 436.534 2.346 30 10 IEEE N#CC[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(F)(F)F 1134050472 ITPMCOZVUWOSMG-SNVBAGLBSA-N 435.332 2.320 30 10 IEEE COC1(OC)CC2(CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)[C@@H]2c2ccccc2)C1 1163814074 WTHDFODZGJHYBY-YDJIHCHBSA-N 425.485 2.256 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)nc1 1178461000 WMIHSUFRPSZDNG-IXDOJHRFSA-N 439.541 2.337 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 1196666324 DHCFRIDELPGIGT-SFHLNBCPSA-N 449.393 2.249 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)NCc3ccccc3CN3CCCC3=O)CCO2)cc1 1198219794 SIPKIGZOIQPBBH-HSZRJFAPSA-N 432.524 2.370 30 10 IEEE C#CC1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CC1 1214485459 QPZAWXWLHFCHGD-UHFFFAOYSA-N 446.573 2.185 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)C1 1255362887 JASGYHXGXCJDQF-LPHOPBHVSA-N 438.528 2.108 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1286357729 NMHDMCNRCOFKQU-UHFFFAOYSA-N 435.532 2.339 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)cc(C)cc1C 1286419863 HAHDPIRCDFVZBM-LJQANCHMSA-N 427.574 2.325 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNS(C)(=O)=O)CC1 1286638671 IPPUDEHWPYHAAV-UHFFFAOYSA-N 443.371 2.131 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1286790110 BWSOMYURHHZDJY-GOSISDBHSA-N 442.608 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)C1 1286799406 VSLASJQPUKNFOM-MSYCTHLASA-N 447.580 2.316 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCCC)C1 1286807881 HBPDIXHYIQNQCH-QZTJIDSGSA-N 426.521 2.243 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 1290342056 BVZCGJVNTFMHQT-AUSIDOKSSA-N 428.533 2.421 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cn(C(F)(F)CO)nn3)c2)c1 1290504578 IDHAZVBDPYKVRO-UHFFFAOYSA-N 426.379 2.258 30 10 IEEE Cc1nnc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290730862 WQXLBPROEJEOOC-LPNGOHTBSA-N 449.559 2.071 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cccc(Cl)c2)CCOC1 1296662599 DUCXTONMKZXYIO-WIYYLYMNSA-N 447.923 2.391 30 10 IEEE CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)CC1=O 1298887350 MCTAPCFIFJHJGO-UHFFFAOYSA-N 428.399 2.338 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1)C(=O)OC 1299177701 ATUUMLHTSGYMMS-IBGZPJMESA-N 444.509 2.489 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300493174 RVVHEAOHUFGPRO-CGZBRXJRSA-N 428.562 2.359 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1300900257 OLHFKQOVOQKZPJ-JKSUJKDBSA-N 435.550 2.131 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300983690 MPJWWDHLHSEYCJ-LJQANCHMSA-N 426.525 2.066 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1301217089 YVIPKIORYFSBRD-RHSMWYFYSA-N 432.550 2.040 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[C@](C)(C#N)C3)cc2)cc1 1301266399 WAAWQQMPCAZUCF-JOCHJYFZSA-N 440.525 2.499 30 10 IEEE COCC1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301336043 SDZVYXFFEORHFG-QURGRASLSA-N 442.564 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301578236 UIEFFZWBZNCUBW-NJNPRVFISA-N 446.573 2.319 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC1CCC(OC)CC1 1302311574 NWVPQUSCFYYSOQ-ROOBUULFSA-N 433.553 2.326 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1304903025 DJDJKWFAMRWZBD-NYHFZMIOSA-N 436.541 2.453 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1306618636 GSYSZUJBJVSWIZ-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE C#C[C@@H]1COCCN1C(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1312119687 ZVVSSXVGHSGKSD-NQIIRXRSSA-N 428.510 2.232 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C[C@@H]1C 1313935603 JAWRPHBPEAFCOY-KRWDZBQOSA-N 433.516 2.257 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](COC)C2)CC1 1313957187 DVDWYSNKYZITMT-NRFANRHFSA-N 437.592 2.317 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1314389901 FRRMQXYOLKLQMO-SFHVURJKSA-N 427.528 2.245 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1314861057 TYOGRXINGWFTJR-KRWDZBQOSA-N 449.602 2.353 30 10 IEEE CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1315051997 KLUYEOARLZBZOL-RXVVDRJESA-N 438.532 2.179 30 10 IEEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1350170267 RPYICOPHDRGCCD-UHFFFAOYSA-N 437.587 2.003 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(Br)cn(C3CC3)c2=O)c1 1358185792 HKZJXKBRCIUDGU-UHFFFAOYSA-N 428.286 2.320 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CCOCC2)CC1 1358934389 ZOVYTLLPNLOYFU-UHFFFAOYSA-N 425.581 2.102 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1358986183 PICCKVBUPAXGET-OYDLWJJNSA-N 442.560 2.121 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NCCC 1358986774 HGWPXFUHCKMHTR-UHFFFAOYSA-N 445.365 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1358989678 MISOMWGEZFVWBP-UHFFFAOYSA-N 426.542 2.384 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1359011034 IRWGDLLKEHTDQH-GOSISDBHSA-N 429.952 2.477 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1359013177 NMZQZWOTFYUVNZ-KRWDZBQOSA-N 432.569 2.409 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCc2noc(CC)n2)CC1 1359038876 OBOQOCZSXVUHBC-UHFFFAOYSA-N 449.559 2.363 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359054203 NDHCGNHVNBNABX-UHFFFAOYSA-N 438.517 2.269 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359218348 GLQBYPBETUHIPG-UHFFFAOYSA-N 445.593 2.174 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359242092 PGDSIBYRQRIVFI-MJGOQNOKSA-N 430.578 2.090 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)CC 1359255464 ZFEOAVLXHRCCKB-UHFFFAOYSA-N 435.532 2.057 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC=C(Br)C1 1359330254 MCHALNHCXBIMEG-UHFFFAOYSA-N 438.351 2.430 30 10 IEEE COC(=O)CCN(C(=O)COc1cccc(Br)c1C#N)C1CCOCC1 1435300095 GFSRFJXIOXSDEH-UHFFFAOYSA-N 425.279 2.270 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O 1435481795 FMAPGCKWRCXFND-UHFFFAOYSA-N 440.294 2.044 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1435870442 MDIJBBRGDMEQJR-INIZCTEOSA-N 431.489 2.102 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CC2)c1 1437243536 MOJXVNPIYWZDJI-UHFFFAOYSA-N 431.456 2.442 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2=O)cc1Cl 1443474940 BOUMIVYFIUSDOC-QFBILLFUSA-N 430.936 2.324 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1447336888 VMYCYHJFDBNFJG-UHFFFAOYSA-N 427.526 2.423 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1 1454728296 HSFGRUMBBGQJNS-INIZCTEOSA-N 437.525 2.055 30 10 IEEE O=C(c1c(Br)nc2n1CCCC2)N(O)CCCN1C(=O)c2ccccc2C1=O 1458004644 WTFGVKIGNJOXFN-UHFFFAOYSA-N 447.289 2.500 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2C1 1462729338 FYZNZPYTTNQCPT-UHFFFAOYSA-N 444.582 2.031 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 1464577971 JWQWIUIJUKXBHT-QGZVFWFLSA-N 445.516 2.413 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)c3c[nH]nc3I)CC2)nc1 1466172582 NQUDAROHNMZNMW-UHFFFAOYSA-N 437.241 2.401 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)n1 1466796235 KPGSXQJIRCBVFF-UHFFFAOYSA-N 435.415 2.205 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1cccc(C#CCO)c1)Oc1ccc(Br)cc1 1467919062 IKTXDAPNJRITJG-GOSISDBHSA-N 432.270 2.143 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nc3ccc(C(=O)OC)cc3[nH]2)c1 1468634730 JLRDVPCBKITAHU-UHFFFAOYSA-N 425.466 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC[C@@]1(O)CCCOC1 1469740282 IIAWYCOOZZVJOC-XXBNENTESA-N 429.517 2.440 30 10 IEEE C#C[C@H](NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)C1CCOCC1 1470867928 ZKTYJZUZSLFIES-MSOLQXFVSA-N 449.548 2.047 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1507523680 OWSSTIZRJCIZML-QZTJIDSGSA-N 427.549 2.389 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(F)(F)F)CC1 1507717739 HMHDGACTHAWSCX-UHFFFAOYSA-N 431.260 2.364 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1507795162 CZONBQAXVKLETO-KSZLIROESA-N 433.578 2.291 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2)C1 1508109765 NRZVHXSDNGHCSY-YOEHRIQHSA-N 439.969 2.371 30 10 IEEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)n1 1511917217 FRZUTNAVHKARIY-IRXDYDNUSA-N 449.563 2.342 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCOC(C)(C)C 1512368172 OQNKTMHBUUNIIW-KRWDZBQOSA-N 449.563 2.475 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC=CCO2)c1 1519513196 WOFIAKOOJCSSBQ-JXFKEZNVSA-N 431.493 2.136 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 1521308849 AODIHSMQXGALHU-UHFFFAOYSA-N 441.937 2.336 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cncc(N3CCCC3)n2)c1 1525781377 QHXLPKUMAQGAJX-HKOYGPOVSA-N 428.518 2.142 30 10 IEEE C=CCn1cc(CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)nn1 1526049671 BZAWGUJPARNAHD-UHFFFAOYSA-N 432.322 2.395 30 10 IEEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1531977801 HEINTLRGYMXWPG-OYHNWAKOSA-N 443.573 2.405 30 10 IEEE C#CCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CCS(=O)(=O)C1 1537468721 AMEATSGIAJRXBO-CYBMUJFWSA-N 442.360 2.018 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2nc(C#N)cs2)cc1 1538516937 DAEUJJKNZOUUQL-KRWDZBQOSA-N 432.527 2.077 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1539017365 ZZCVMPFXIHTZDB-HOTGVXAUSA-N 439.541 2.243 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1539066062 OVEFOYFIXOBEQE-SFHVURJKSA-N 440.573 2.447 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539216970 YKTOYPFPAAYBMB-AZUAARDMSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)ccc1OC 1539292081 ZTZFBOAKTJPDNH-UHFFFAOYSA-N 444.495 2.454 30 10 IEEE Cc1cc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)nc(C(C)C)n1 1539293794 NKKIJFIZNOCNSP-UHFFFAOYSA-N 445.520 2.307 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1539557464 UQQGMPRPGYCTCT-TWFHAPMSSA-N 435.594 2.039 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNc2ccccn2)CC1 1539875237 VAKVENGLCGCDEL-MRXNPFEDSA-N 433.582 2.188 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1540070801 AGTNSOMBIBDONN-LJQANCHMSA-N 433.578 2.093 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540875837 ZJZHPRVIUKRLIX-DLBZAZTESA-N 430.528 2.217 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1nncn1C 1540922892 ANJKKRIUXXUJOI-BBWFWOEESA-N 433.582 2.391 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1542683783 CJMKWRUPHFAUFY-UHFFFAOYSA-N 437.519 2.404 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)s1 1543056121 INDYCEPHFNPHMK-UHFFFAOYSA-N 443.591 2.271 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1544885262 ZCDQWTOGAKAKEM-NRFANRHFSA-N 447.532 2.391 30 10 IEEE CC[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)N(C)C 1545608704 BGUJGNYOMVQUHC-QRQLOZEOSA-N 430.578 2.427 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1587767931 WGKZYIANJPYKEE-QMHKHESXSA-N 444.507 2.372 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1588271632 NKMVUCFBTZUYDC-CYFREDJKSA-N 437.544 2.443 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1588848985 UESZZEGRNZYLGS-IBGZPJMESA-N 440.567 2.316 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589496562 YKCDIADKSSZICL-TVFCKZIOSA-N 425.599 2.291 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1589663545 OISOOUWHYUOLSZ-KRWDZBQOSA-N 439.607 2.432 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1597706546 IDUTXCZMDLEAEV-WKRVVKTRSA-N 440.573 2.223 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1607572603 CYATXUYNLIKUSB-AUSIDOKSSA-N 443.596 2.001 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)c(OC)c1 1619191420 VBXAPQMXVITVFL-IIBYNOLFSA-N 431.468 2.210 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC[C@H]1C 1619517767 SOXIKOBOOFUIDA-VQIMIIECSA-N 446.577 2.006 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ncnn1-c1ccccc1 1619981216 ZBMKHFJMZCICRU-KRWDZBQOSA-N 436.520 2.371 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCN2CCSCC2)cc1 1620351810 GQHIJCYUJYUCKD-UHFFFAOYSA-N 428.562 2.004 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2CCOCC(F)F)cc1 1620351851 JLVAHZKSYGACGS-OAQYLSRUSA-N 449.458 2.006 30 10 IEEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cccc1C(=O)N1CCOCC1 1625672150 VOLKWQYRAYMKLN-UHFFFAOYSA-N 445.472 2.156 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC=C(C(=O)OCC)C1 1629345904 ISOBOGVOKVJIIO-RDJZCZTQSA-N 433.530 2.052 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1633140919 OKFIFLBUHRXTKN-HSZRJFAPSA-N 448.519 2.263 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1636005913 RKBXLLAXLPOHGE-OAHLLOKOSA-N 438.912 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 1637434881 OGAIFJPYJWZWDD-IKGGRYGDSA-N 425.526 2.343 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 1638268852 DJNHFSWZNZKYFF-LLVKDONJSA-N 428.392 2.200 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 1640924090 GZEMAJZADJWIIY-UHFFFAOYSA-N 435.477 2.372 30 10 IEEE CCCOc1ccccc1C(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1642903518 QRJPEJVYBWJHQP-OAHLLOKOSA-N 429.498 2.013 30 10 IEEE Cc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1NC(=O)c1ccccc1 1648787414 OUTCPKBPWHRWLW-UHFFFAOYSA-N 429.436 2.078 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 1653058595 QJWWTABWOWCYRH-WMZOPIPTSA-N 449.573 2.221 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc(C(C)(C)C(=O)OCC)cs2)n1 1670726264 ILNISQYPICZXOC-UHFFFAOYSA-N 433.534 2.494 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)CC2)c1C#N 1682668987 LMWIJXHKLODCGX-OAHLLOKOSA-N 433.557 2.125 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NC1(c3ccc(C#N)cc3)CCC1)CCS2(=O)=O 1685669733 TVJMXQJBWCQRLV-NCYVPVAZSA-N 445.541 2.136 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 1687347368 AGYDKXRNEWMBNA-UHFFFAOYSA-N 427.549 2.196 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1689980537 UCMJERONVZJRFV-RTBURBONSA-N 449.621 2.211 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689994270 VIZKSVZYIVBNLK-FPOVZHCZSA-N 447.649 2.369 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H](C(C)C)N1CCOCC1 1690193562 MSOFRVUWLPBVCT-ZRCGQRJVSA-N 433.597 2.351 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1690607704 RTAXXRJSJYBHDM-LJQANCHMSA-N 443.548 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C[C@@H]1CCCO1 1690662113 ROHJVZOQGAFPSV-AWEZNQCLSA-N 437.342 2.343 30 10 IEEE CC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1692862816 GVOPZCJPQRAVJV-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1694212446 CAZBRBQFLTVGEG-UZLBHIALSA-N 437.548 2.226 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1698417610 GTPSAZCFBGOAHO-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1698485397 YFJRLNXBKFLEFC-HNNXBMFYSA-N 429.431 2.040 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705543282 BEEVZCMYQGKKKR-IBGZPJMESA-N 433.472 2.412 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)O 1705628784 OZFVKNUTKFXRIG-UHFFFAOYSA-N 435.569 2.250 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705688960 BCDWWXZRPFCNMZ-KBPBESRZSA-N 442.383 2.430 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705754689 DDJQZWGRYCTLMF-GJZGRUSLSA-N 440.957 2.083 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)C)CC1 1705904471 QCMCTTHSAYCTEM-HXUWFJFHSA-N 441.532 2.487 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1705912756 SWDNYUZRKUIBDN-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1706095662 NLROFFRTCVXBPA-CQSZACIVSA-N 432.475 2.038 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1722323769 HUSAUFIRUJOJSN-OKZBNKHCSA-N 437.610 2.476 30 10 IEEE C#CCCCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722338347 IOHGJENZCVSPJZ-HSZRJFAPSA-N 429.565 2.182 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNc1ccccn1 1722350037 JXXFFDXRNGIRHE-UHFFFAOYSA-N 438.561 2.205 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1722360415 HEVVAZKDHAXJKC-MOPGFXCFSA-N 444.605 2.164 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1722370305 BHGYIDMFXRCIJT-KRWDZBQOSA-N 433.603 2.119 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCn1cncn1 1722375355 NAQULVAQVFOKAR-UHFFFAOYSA-N 440.305 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc3ccccc23)CC1 1722440329 CSNKXMZTQJXHAO-UHFFFAOYSA-N 448.527 2.177 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2nnc(C)s2)CC1 1722444767 FMUKZWVLPOMAKB-UHFFFAOYSA-N 435.557 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)C2CCCCC2)CC1 1722448297 XKAQODHLOVQPMD-HXUWFJFHSA-N 442.608 2.012 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1722638430 ADCDBUZPPNPVOW-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722640245 CIMGIALYDIRXQJ-NXOAAHMSSA-N 430.553 2.354 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722697593 NAVQGAVZZNFGSP-GOSISDBHSA-N 435.536 2.001 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1722703363 ZNVGKUDHIOGSAA-KRWDZBQOSA-N 440.548 2.086 30 10 IEEE CCN(CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1728517858 QIWMFYHRWNXLEU-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(C)nn2C)cc1 1730195182 DIVAEDBTCXZEJU-OAQYLSRUSA-N 425.468 2.398 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1731003170 BDIJTKGCQKMXLO-LJQANCHMSA-N 443.573 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740531463 LXXMGJBJAREHOL-FPOVZHCZSA-N 438.576 2.165 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1740585805 DKISJUCTGBQQPE-HXUWFJFHSA-N 434.544 2.249 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740695933 HQNBHPZRRPSJDB-RTBURBONSA-N 446.596 2.040 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOCc2ccccc2)CC1 1740704463 ORVHSYRZDFKHHB-UHFFFAOYSA-N 446.555 2.466 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1740710243 SSIZTISKRKFALK-IRFCIJBXSA-N 442.608 2.216 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCOCC2)CC1 1740817400 DJJQXFJYDPDIIE-UHFFFAOYSA-N 438.576 2.453 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740880099 CVGQFYBABRWLDI-GOSISDBHSA-N 427.553 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740957521 QROWWQRSPRLOOC-UHFFFAOYSA-N 449.559 2.311 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCCC)CC1 1740963522 NRCAZUKRMKXYIA-LJQANCHMSA-N 429.569 2.227 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(C)COCCO2)C1 1740983490 JUSKWXVDJHYHQP-OFNKIYASSA-N 428.533 2.486 30 10 IEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1741154996 BFXNWGAGOWYPJP-IEBWSBKVSA-N 438.532 2.162 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCSC1 1741710452 DTDYVNDQHOUCDI-KRWDZBQOSA-N 434.591 2.086 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccco3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742314298 JPWNMJZIZMELGM-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCc1ccco1 1744046480 HYJJPFBDECCSRO-UHFFFAOYSA-N 441.536 2.236 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1748744733 HJTNAFRVUWCTAJ-UHFFFAOYSA-N 445.527 2.396 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1748759737 NYFGORXOYCHWAB-DLBZAZTESA-N 429.546 2.400 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1748818947 IARTXOBZXJZEDX-KRWDZBQOSA-N 433.603 2.032 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCCCC1=O 1748831730 WEBKVEBDBXDFTD-UHFFFAOYSA-N 435.528 2.438 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccs1 1748840941 NOSWQLUSABSGBD-UHFFFAOYSA-N 439.570 2.010 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCOC 1748907282 QMVDGUPIJHNNOJ-UHFFFAOYSA-N 425.533 2.356 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCCCCC2)CC1 1748978678 QWAWPYATJDAPQT-XMMPIXPASA-N 445.608 2.159 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)CC=C)CC1 1749003826 XDZLQUUXACZBLA-DEOSSOPVSA-N 443.592 2.498 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749087342 SOLBJYAQTOSYDI-GDBMZVCRSA-N 444.374 2.215 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)nc1OC 1749499834 PBFKFOVZNSDISS-UHFFFAOYSA-N 428.518 2.352 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749680230 HQGFBIFUOJKYDD-QGZVFWFLSA-N 442.589 2.273 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1749699340 YTLTXPBODWGLSB-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2C)C1 1749732323 VOQYWHWQVUKZQA-HKUYNNGSSA-N 443.573 2.132 30 10 IEEE COCCN(C)CCCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1749768122 LDKQCZZDKLQWIL-OAQYLSRUSA-N 438.576 2.445 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1751096985 BGGTZSKQHFSRDB-OAHLLOKOSA-N 431.541 2.006 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752657272 JTVQCNCRUCSRBC-KRSBUISWSA-N 428.537 2.322 30 10 IEEE C#CCCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760159294 BPUAFMOMKQZHQY-AUSIDOKSSA-N 431.581 2.425 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCOCC1 1760178048 XMJCJKXHILUNGF-UHFFFAOYSA-N 433.560 2.090 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CCC)C(=O)C1 1760434887 PPXBOCJKSJEJMR-UHFFFAOYSA-N 435.536 2.336 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1760490153 QTQSDZXBQSEECE-SVMVAKDDSA-N 429.544 2.370 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1760504195 WZARRRUSNMGMJN-QFIPXVFZSA-N 440.504 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(=O)OC)C1 1760557279 GRSJJKPGICHHMQ-IBGZPJMESA-N 446.573 2.054 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1760695206 CPUSCAIKSMJHFX-ZACQAIPSSA-N 429.546 2.342 30 10 IEEE CC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765122501 HFUFZMVGNTWBEQ-BFQBXFRASA-N 435.532 2.417 30 10 IEEE CN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1766958037 SONJQUZNSXMMJI-CYBMUJFWSA-N 432.893 2.130 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1848934335 VJNARHSTRFKJKC-UHFFFAOYSA-N 437.949 2.114 30 10 IEEE CCc1nc(N2CCN(CC(=O)Nc3ccc(CC#N)cc3)CC2)c2c(n1)c(C)nn2C 1851128621 AINLKHGAWGHBKT-UHFFFAOYSA-N 432.532 2.061 30 10 IEEE CN1CCC[C@@H]1C(=O)O[C@@H](COc1ccc(C#N)cc1)CS(=O)(=O)c1ccccc1 1852506075 XLFRLFNXBGDNTD-PZJWPPBQSA-N 428.510 2.417 30 10 IEEE C=CCN(Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1853414317 LQMZGYVKDTYKDV-GOSISDBHSA-N 444.557 2.170 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1 1853980032 VTARWZXCDSNADM-UHFFFAOYSA-N 425.510 2.284 30 10 IEEE Cn1ccc(CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2(C)C)cc1=O 1856073277 VJDMZOPRTOGEDN-UHFFFAOYSA-N 426.904 2.368 30 10 IEEE CCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861245187 YIVRYGFHUNHGJS-IBGZPJMESA-N 434.581 2.345 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862629040 MKTDQOBCRSSSHH-VOJFVSQTSA-N 425.393 2.073 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862740687 GTXZONDEYBTCLJ-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)CCOc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004604 FRQSZKGLCFCHEI-QGZVFWFLSA-N 445.545 2.224 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1OCC 1870151165 NWYYGPFEQOKPLH-CQSZACIVSA-N 426.477 2.132 30 10 IEEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2CCN(C)CC2)cc1=O 1870563624 JDCKUJHKGAQSFE-XMMPIXPASA-N 434.584 2.445 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cccn1C 1874431100 CTAWZOJXBMQUFP-SSDVNMTOSA-N 425.518 2.174 30 10 IEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCN(CC)CC)ncnc21 1875229406 XWUNJAROYZIRNC-UHFFFAOYSA-N 442.564 2.350 30 10 IEEE N#CCCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1888633825 RCSCKPBYFFWUFE-LJQANCHMSA-N 428.466 2.307 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)cs1 1889619453 QGDIPJXFGDIWGM-INIZCTEOSA-N 437.518 2.200 30 10 IEEE Cc1cnc2n(c1=O)C[C@@H](C(=O)NCC#CCOc1cccc(C(F)(F)F)c1)CS2 1890685872 YPGLJBJFLBYNKL-CQSZACIVSA-N 437.443 2.491 30 10 IEEE C#CCN1CCC(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2083613723 PTUVAMIZPHYZED-VWLOTQADSA-N 440.588 2.370 30 10 IEEE CC1(Cn2cnc(I)c2I)CC(N)(C#N)C1 2245293842 VXGOWXBRPJSSJA-UHFFFAOYSA-N 442.042 2.113 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12)B1OC(C)(C)C(C)(C)O1 2247962921 RUTDGLCFKNTSHQ-ARFHVFGLSA-N 442.387 2.491 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCO[C@H]32)C1 2255159640 NDOIIQSPZLMJDT-QQHUMFEOSA-N 449.548 2.090 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632701 QBEVGMRVQWXUED-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCNC(=O)OC(C)(C)C)OC 2255676789 WUTGIEQFHNNPQK-UHFFFAOYSA-N 437.346 2.336 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255824891 QDRVPRKOLUKBPD-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2256887084 PBSMOUMLISIPSV-HOTGVXAUSA-N 437.321 2.302 30 10 IEEE CCc1nn(C)c(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267135463 CUSAYFUUSOIMFE-UHFFFAOYSA-N 448.373 2.021 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2267142432 UFSHYRIYXPZTIL-QLFBSQMISA-N 446.357 2.084 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267147700 TXJKRJDKHRCLOC-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267178087 XJUSRVXSGQIQKT-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267489689 MGRXIDXMDPQEKK-GJZGRUSLSA-N 446.357 2.036 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267546126 RXKIRDNUZAZXOC-LJQANCHMSA-N 436.365 2.370 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876815 PRXXYTRLQYSEQB-CABCVRRESA-N 446.357 2.199 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271376670 WDBHDRIDFRPYMG-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE Cc1cc(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273750305 FCSKYUNUDKDKQA-KRWDZBQOSA-N 448.369 2.186 30 10 IEEE N#CCCN(c1ccccc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286057148 MKPUUGVOQDYKDM-SFHVURJKSA-N 431.470 2.116 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)C1 2307311117 CRJSXKRRDLKGSV-UHFFFAOYSA-N 433.509 2.102 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CO[C@H]1C2 2312794678 NWWUCAYMGAUCFF-CMCWBKRRSA-N 440.544 2.295 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315643547 OAFNYONNHGEVLV-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE Cc1scc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1B1OC(C)(C)C(C)(C)O1 2320447994 KPDSCYRLVZFPJJ-UHFFFAOYSA-N 442.390 2.332 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322306601 LVOOHDMKWVMPLN-AWEZNQCLSA-N 439.337 2.232 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334270547 WFSQRWWQKJIQBB-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)n1C 2337398036 KIJIBDCADCQICA-QFBILLFUSA-N 438.381 2.421 30 10 IEEE CC1(NC(=O)OCc2ccccc2)CCC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365213712 YCAVFFPSAFLGNB-OSFYOIPJSA-N 436.574 2.131 30 10 IEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)[nH]2)cn1 253565857 IGLQSQSENNGLBX-AWQFTUOYSA-N 440.489 2.151 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)CC2)nc1 426227164 OJVQXGJHPWXIEJ-VMKGKUJASA-N 434.540 2.451 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CCC3)c2=O)cc1C 431015306 OJCJCSWPKKAHAZ-UHFFFAOYSA-N 437.565 2.386 30 10 IEEE CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccnc(C#N)c1 476311191 GJUPXEQZIZVIQZ-UHFFFAOYSA-N 443.529 2.294 30 10 IEEE COc1cccc(-c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)n(C)n2)c1 477053977 BXYCGDLHOPIMEE-AWEZNQCLSA-N 439.497 2.273 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCNC(=O)[C@H]2c2cccc(Br)c2)c1 498916699 RTVXSTDWMZYQMG-GOSISDBHSA-N 448.342 2.268 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508827009 KRWHMJLVHYPKAF-FQEVSTJZSA-N 430.516 2.381 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 508938368 JDQBKTNXNMCKKN-WNZYQOIOSA-N 441.576 2.417 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 508998232 MESQFLRTSYULKE-GDBMZVCRSA-N 432.912 2.456 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 520239455 GUQOGGXLSFHGBR-INIZCTEOSA-N 445.589 2.078 30 10 IEEE Cc1ccc([C@H](Cn2ccnc2)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(C)c1 581043280 SGUWISLVHGTXFI-NRFANRHFSA-N 437.525 2.208 30 10 IEEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C1 603955976 NHKKXAAEXTVNOD-HOTGVXAUSA-N 438.981 2.022 30 10 IEEE CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 728857574 ONVKVTIINLLLBS-UHFFFAOYSA-N 449.330 2.082 30 10 IEEE C#CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 729332814 YUCQDJJORBGMIC-QGZVFWFLSA-N 432.571 2.014 30 10 IEEE CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OC(F)(F)O2 730138234 KHFOIZZHLUJXAY-AWEZNQCLSA-N 428.461 2.027 30 10 IEEE COCCN(CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)C(=O)OC(C)(C)C 733932380 OZMIKBCALCWBHF-QGZVFWFLSA-N 448.545 2.282 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)CCN1C1CC1 735194094 FTYGMKLLXLIXCV-PLTNMMHCSA-N 442.585 2.405 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)C2CCOCC2)n(Cc2ccccc2)c1C 735944304 GWLDCGUPRULDSO-NRFANRHFSA-N 425.485 2.294 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1ccc(C#N)cc1 740177232 CBOBWVPJHZAAMN-LJQANCHMSA-N 446.481 2.325 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1 741823592 VMKJBZSADPREHQ-UHFFFAOYSA-N 426.454 2.329 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 746200057 AHIUNZNISHIPPY-FMQUCBEESA-N 434.443 2.290 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CCCCC1 760401310 STWDKPJPGYCLAC-UHFFFAOYSA-N 431.436 2.355 30 10 IEEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(N2CCCC2=O)cc1 765282667 WZCZHNHUBDYDHW-JKSUJKDBSA-N 440.525 2.229 30 10 IEEE CCn1nccc1C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 773976030 HSKSTQSEWDWHNU-KRWDZBQOSA-N 429.502 2.039 30 10 IEEE C#CCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H]1CCS(=O)(=O)C1 774035855 PEXHWMJAFSLPDX-HNNXBMFYSA-N 447.567 2.356 30 10 IEEE COCc1ccsc1C(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 779194979 RVHILCOWZRGZHE-KRWDZBQOSA-N 428.470 2.474 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)c2cncc(Br)c2)nn1-c1cccc(C#N)c1 780331569 UXBGCQNOLUVDNV-UHFFFAOYSA-N 446.286 2.329 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 787063436 ZMIPHGHRXHOPIX-FPOVZHCZSA-N 448.479 2.401 30 10 IEEE Cc1nccc(CN2C(=O)[C@@H](CC(=O)NCCCN(C)C)SC2=Nc2ccsc2)n1 790741304 GELDMUZSDDLVFS-QGZVFWFLSA-N 446.602 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 790825646 CPXQPCAMEYIGKL-UHFFFAOYSA-N 440.541 2.060 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 802575235 LDPKUEPRVLADHN-GOSISDBHSA-N 437.541 2.005 30 10 IEEE CCOCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802614731 QJJYMIKGHOFMTO-QGZVFWFLSA-N 448.531 2.197 30 10 IEEE COCCOc1cccc(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1 802895248 MJIAUGNOFHXDTD-HXUWFJFHSA-N 432.498 2.492 30 10 IEEE C[C@@H](CC(=O)N1CCCN(c2ccccc2F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 803610991 XXWMUKTZIIGOOI-INIZCTEOSA-N 444.532 2.382 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 804186817 PLLAPXIPMXYUBJ-DYESRHJHSA-N 443.610 2.462 30 10 IEEE C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CCO2 807247882 GMDLISBJELXXRT-OYHNWAKOSA-N 425.510 2.309 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)n1 813803686 MMUYCEMSPXOGIC-LJQANCHMSA-N 445.564 2.464 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2)[C@@H]1n1cccn1 814703257 JMGNVLNMOYARPP-FAJBIJEISA-N 427.530 2.369 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 815090489 QKJNVEYTRNCTBE-ZWKOTPCHSA-N 444.598 2.205 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2=O)cc1 917016925 FZYMBTNCGJJYJH-PXNSSMCTSA-N 432.480 2.397 30 10 IEEE CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)CSc3ccccc32)cc1 917018530 PKFWQCPZRMPBKI-MRXNPFEDSA-N 436.493 2.175 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(C)cc3F)n[nH]2)cn1 1084381641 BFNIRAJEYHDCAW-UHFFFAOYSA-N 432.485 2.272 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2=O)cc1 1127912132 WGZPAOIDYNTTOM-MRXNPFEDSA-N 428.290 2.318 30 10 IEEE C[C@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCN1C(=O)c1cscn1 1129613352 PDWKLYYQQRKBKH-HOCLYGCPSA-N 427.505 2.353 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC(O)C1 1135983129 QJUYOQWWTIOUQV-KPRXVCGWSA-N 446.523 2.200 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)CCCN1C(=O)OC(C)(C)C 1155386706 JCQNGRCXCDLCSK-QFIPXVFZSA-N 446.552 2.074 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCc2ccccc21 1177331325 HEKSVMUUFXIJLN-LJQANCHMSA-N 440.569 2.319 30 10 IEEE CN1CCCC[C@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1=O 1196727889 NRUBKUWKRYPWSW-UWJYYQICSA-N 441.576 2.299 30 10 IEEE COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cc1 1248376277 VNIYKOLZTWBPON-REWPJTCUSA-N 447.539 2.493 30 10 IEEE CN(C)CC#CCNC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 1256585005 MQYCKVLIZKZZFM-UHFFFAOYSA-N 436.354 2.310 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286340893 ABBRFRMPZRHEAN-IAGOWNOFSA-N 449.552 2.489 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286359820 KPKROLONIRXTLH-HSZRJFAPSA-N 431.581 2.033 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCC1 1286361978 BJCVESMOJIAWLU-UHFFFAOYSA-N 429.594 2.102 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286508969 SASYMAGSTOJKGL-UHFFFAOYSA-N 425.558 2.265 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286545173 SSCDGYBFCQOBBE-CRAIPNDOSA-N 447.381 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286548628 UCYLJRWPXMYKPV-QYZOEREBSA-N 439.626 2.491 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1286581649 MOUZHESYBRLESC-LJQANCHMSA-N 449.577 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(OC)CC1 1286821765 AGTZPOMLECYKHJ-OAQYLSRUSA-N 433.578 2.260 30 10 IEEE C/C(=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)CN1CCOCC1 1291723408 WDBYHEKOFJXTQV-ILLIIRRRSA-N 448.589 2.497 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1294879837 FOFREQCQPGKTIG-FQEVSTJZSA-N 449.559 2.086 30 10 IEEE CCOC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1296448265 AANLBMBVUMOZFK-UHFFFAOYSA-N 449.563 2.395 30 10 IEEE CN(c1nnc(-c2ccccc2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1298132460 DBYHPXFIJBJIAD-UHFFFAOYSA-N 440.529 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(=O)(=O)CC 1300290087 LXJYHKCZIKQFRL-MRXNPFEDSA-N 426.546 2.281 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1300596507 SKDFECDAHHDGJC-OAQYLSRUSA-N 438.576 2.258 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1300701349 PJFDEHVRPMAVNX-JOCHJYFZSA-N 434.588 2.191 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCn2ccnc2C)CC1 1300726590 OILDPCGYDZAHRO-UHFFFAOYSA-N 449.534 2.179 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300863967 WXNLAMTWIKJSDW-CRWXNKLISA-N 443.298 2.025 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C 1300896067 XRIBVFZOMRGGJR-YESZJQIVSA-N 425.599 2.027 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300980650 KSXCPYDPQMKILJ-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1301458338 FENHDWFUXOAVQR-HYFFOGBASA-N 429.521 2.130 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(C)O)c2)C1 1301567993 ZYBXFSIFINGKTO-FQEVSTJZSA-N 439.560 2.458 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@H]2CCOC2)cc1 1302993224 AQMLUBGTVJZTTA-IBGZPJMESA-N 438.532 2.247 30 10 IEEE CONC(=O)C1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1303329081 ZEQCIKTWRMRIQM-IBGZPJMESA-N 442.516 2.309 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)Nc3[nH]nnc3C(=O)N3CCCC3)CC2)c(F)c1 1310855736 FNGAENMLDGANBL-UHFFFAOYSA-N 427.440 2.127 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C1CCOCC1 1313042880 JRETXQYHIGDVOU-IRLDBZIGSA-N 425.577 2.054 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1353157804 KKMHKPPQFAFYNF-SJLPKXTDSA-N 443.548 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358892611 CSYXYDUIVPTCLM-PKOBYXMFSA-N 431.548 2.223 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCOC2)CC1 1359031147 RJROFVDVCQAVGF-OAHLLOKOSA-N 433.354 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(SC)CCOCC2)CC1 1359047378 DQTGUBDVHHCMCE-GOSISDBHSA-N 447.605 2.008 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCS(C)(=O)=O 1359052424 FJBCBBCQEPCLCH-UHFFFAOYSA-N 427.983 2.231 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359095231 LRBGTOIKNQUDFK-UFYCRDLUSA-N 441.557 2.421 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C 1359263421 BCEOCBVWGRKCPP-OIISXLGYSA-N 437.591 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1359332652 CTUCUBQALGFRLI-RBUKOAKNSA-N 446.573 2.385 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCCO1 1360312014 FINPZJLXAVKDGG-LJQANCHMSA-N 446.577 2.150 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)OC)n2C)cc1 1457219929 URYQYZHMOIQZDT-LJQANCHMSA-N 443.525 2.091 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(Cc3cccc(C(N)=O)c3)C3CC3)C2=O)cc1 1460163219 DFARENNPZNTICQ-FQEVSTJZSA-N 445.479 2.053 30 10 IEEE C#CCN(CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)CC(=O)OC(C)(C)C 1460358075 WZEZQSHPZMAPAL-UHFFFAOYSA-N 449.573 2.077 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)c1 1464256910 BYXWZQKXDJPCGJ-LTXLMFNASA-N 430.534 2.242 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OCC 1471117622 COXCGIYSTYCVSA-LBPRGKRZSA-N 442.843 2.174 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1496840845 RHIDBVMXIJSFAI-YCRPNKLZSA-N 428.516 2.098 30 10 IEEE CCN1CCN(c2ccc(Cn3c([C@H]4CCOC4)nnc3N(C)[C@H](C)CC#N)cn2)CC1 1502316881 UBAASKSVZXJUGX-QUCCMNQESA-N 438.580 2.106 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1507536108 AOKWXSRZJLTHFU-ZWKOTPCHSA-N 429.638 2.365 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](CNC(C)=O)C1 1507595221 NUOBCDYFVCJMRS-HXUWFJFHSA-N 425.533 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC=CO1 1507665981 ZQQYVMCJWIPTAV-GOSISDBHSA-N 438.557 2.394 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1507692428 YAPWGCIIJDOZLM-HNNXBMFYSA-N 447.565 2.254 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)OC 1507709799 AMVQTITWZOJEEC-QGZVFWFLSA-N 438.532 2.357 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N(C)C(C)=O)CC1 1507808305 UQOSMKHQSOKICK-QFUCXCTJSA-N 449.596 2.430 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507856786 CPWVNBQAZGELNW-QGZVFWFLSA-N 437.976 2.200 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507870026 BKYVIZDXBXDMJQ-ZDUSSCGKSA-N 445.998 2.282 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507962657 VOKRXLQNIFVZEI-AOMKIAJQSA-N 441.536 2.431 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1508094429 NNRDVGXYZXSYBC-UHFFFAOYSA-N 447.902 2.322 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC(C)(C)O1 1510338967 CIXSICWCVMPKRZ-UHFFFAOYSA-N 436.520 2.414 30 10 IEEE Cc1ccccc1-c1nnc(N(C)C[C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511243889 LJOZKNROZQNSON-WXVFVKJXSA-N 436.516 2.253 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514271186 RVVVQXNHEPIXJI-RXVVDRJESA-N 429.594 2.362 30 10 IEEE CCCN(CCC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1514760160 BUWRNHIGXIRKFS-FXAWDEMLSA-N 440.589 2.134 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1517567475 HEDZOJBITCFXKA-UHFFFAOYSA-N 437.479 2.274 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCCN1C(=O)OC(C)(C)C 1528919173 CSEYIODIHRFWCB-OPAMFIHVSA-N 441.536 2.165 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1539186291 QICYEYBJJRCSTK-HSZRJFAPSA-N 441.601 2.155 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1539216762 WULKZRRWGJHLHD-GOSISDBHSA-N 443.479 2.293 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1539231449 VUXMUBUXMQZMQB-HXUWFJFHSA-N 439.541 2.035 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1539299608 KZSJTHIPLOWUIH-QHCPKHFHSA-N 439.491 2.171 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(F)c2)CC1 1539481326 LDCXHUOTUNDMCF-IBGZPJMESA-N 425.508 2.325 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCS2)CC1 1539484477 QKJGHJISFSESSF-SFHVURJKSA-N 444.630 2.495 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)NC)CC1 1539527278 ZOKLWTQQGFEKQX-UHFFFAOYSA-N 443.573 2.195 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCN(C)C1 1539540120 HEMARCQPWLPURC-PKTZIBPZSA-N 425.533 2.021 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1540019155 CIHWEWQPIOTMSJ-IBGZPJMESA-N 430.597 2.417 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1540616824 GTCOAVLKDYKCFN-INIZCTEOSA-N 438.550 2.140 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCO2 1540873178 PTYMTALMMBCNQZ-UHFFFAOYSA-N 440.529 2.301 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCS[C@H](C)C1 1540905443 WEOINPSQUYYVAY-MRXNPFEDSA-N 436.603 2.420 30 10 IEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1541002152 RTSFHHPAUPWXFC-OXQOHEQNSA-N 439.564 2.077 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCCC1=O 1541112219 FYLHSOBETKSANM-MRXNPFEDSA-N 441.536 2.394 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CCO1 1545057743 AXIHEJWNCRGWEB-QGZVFWFLSA-N 447.561 2.169 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1546838734 BFWIWSSATVBHRP-QHCPKHFHSA-N 432.532 2.484 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)C[C@H](C)C#N)C1 1547169934 GBOCDFZFYMHAIT-QZTJIDSGSA-N 434.552 2.249 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552427218 RNQFPLWTRZFACD-WJOKGBTCSA-N 440.504 2.388 30 10 IEEE COCc1nocc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1555330370 ZVAQESSLOMJWSN-KRWDZBQOSA-N 428.880 2.434 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 1557184501 NTVJQHJQJJWVPY-RVKKMQEKSA-N 435.546 2.051 30 10 IEEE Cc1ccc(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1558094616 SDVHUBFEFGIFPJ-FQEVSTJZSA-N 439.317 2.128 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(OC(C)C)c2)CC1 1584999836 AKJDWUCUAZYELV-UHFFFAOYSA-N 436.350 2.134 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C1CC1)N(C)C 1587662984 SITJXLOTDGRDLU-QPPBQGQZSA-N 449.647 2.441 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C)CC1 1587799160 ZPJWSBQPLCBEKC-PMACEKPBSA-N 439.564 2.231 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1587851274 GTHAKPARKHESKU-NRFANRHFSA-N 436.560 2.364 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1587862105 SYWNREMFMQHVIP-IBGZPJMESA-N 429.546 2.027 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)[C@@H](C)CC 1588309882 HCZQEHRDVNBASN-HRAATJIYSA-N 432.594 2.495 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)CC1 1588741362 BPVZFPKLVLXEQF-SFHVURJKSA-N 437.523 2.403 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)Cc2cccc(F)c2)CC1 1588742147 OHJXKQMLTDUETG-SFHVURJKSA-N 426.540 2.045 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCc3cccnc32)CC1 1588750803 FXFGHCDBJKSXRN-TZIWHRDSSA-N 438.576 2.272 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1589394654 LMDKNODFEWXZMS-UHFFFAOYSA-N 426.359 2.433 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1595878534 PPBSXSIMBCHFHD-KGLIPLIRSA-N 432.516 2.221 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1596830477 BEGLFSYTCUTHBW-LPHOPBHVSA-N 442.589 2.207 30 10 IEEE CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1612869522 GAGUGQSCYNRXBD-UGKGYDQZSA-N 448.637 2.432 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)cc1 1616420016 XGZMGEFRLMOVIQ-JXFKEZNVSA-N 442.520 2.072 30 10 IEEE O=C(C#CC1CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1618052443 RXPIOOQWEOTYET-UHFFFAOYSA-N 431.739 2.349 30 10 IEEE COCCOCCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1619407846 YBYZMAQFPIDHBK-QGZVFWFLSA-N 434.606 2.354 30 10 IEEE COC[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619585735 NVESGFGEIMASIT-FFGOWVMKSA-N 443.573 2.206 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1620110742 AODQEAXEIWUYJH-ANULTFPQSA-N 446.596 2.099 30 10 IEEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1622416717 AVMORZJIDDQAOG-KRWDZBQOSA-N 437.539 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1626695081 OHWLVOIJMYBKKZ-IPMKNSEASA-N 444.507 2.370 30 10 IEEE C#Cc1ccc(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)nc1 1630518523 SOSAGOWFVPCKBM-UHFFFAOYSA-N 428.533 2.431 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(CCN2CCCCC2)cc1)c1cc[nH]n1 1630755780 QHBWQFYTOJXMTO-UHFFFAOYSA-N 427.505 2.361 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1642765381 NHTPMIBBTVGGLZ-GFCCVEGCSA-N 431.352 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cc(C#N)ccc4F)C3)[C@@H]2C1 1650819249 KFFIXMQLNSFTGF-QGTPRVQTSA-N 444.463 2.352 30 10 IEEE NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(O)Cc2cccc3ccccc23)c1 1651237885 DPISPEVIINGNCF-UHFFFAOYSA-N 447.900 2.288 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OCC 1662024579 WZOIKHNMMHWPNM-LLVKDONJSA-N 429.438 2.156 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)cc1 1663404935 ZYLVTYIKFCILNR-UHFFFAOYSA-N 440.521 2.440 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1666515125 UPOFNZXJVJIKTN-GOSISDBHSA-N 429.498 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(C)cccc2C)CC1 1690144093 LPJGKRBJMNHVQF-OAQYLSRUSA-N 448.571 2.055 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690161958 WSQFHDXZKOHHOR-QGZVFWFLSA-N 444.605 2.250 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690180294 BWIXHJDKTITGAQ-IBGZPJMESA-N 448.614 2.279 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1690563530 VIUWWEVADAUBAA-OAQYLSRUSA-N 427.530 2.015 30 10 IEEE CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1692420594 CSFAKSMWJQYBAG-QYZOEREBSA-N 436.626 2.144 30 10 IEEE COc1ccccc1Cc1nnc(N(C)CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1697576544 REYYTIDOXCHCTA-QURGRASLSA-N 436.516 2.250 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nnc(C)s1 1697587711 CMUSJFKFAFPDPE-QGZVFWFLSA-N 439.545 2.399 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-c1cnn(C)c1 1705571727 GSIMVWUENUTBLO-UHFFFAOYSA-N 427.512 2.036 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705575691 TYXIODFNASDBIK-QGZVFWFLSA-N 425.920 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(-n2cccn2)c1 1705600802 MQHOTXHOGRLNGY-UHFFFAOYSA-N 439.527 2.232 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccccc2C)CC1 1705643617 MQFHZPQQMLQVBK-UNMCSNQZSA-N 439.560 2.145 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1705659240 PKTHGISUAAKMRE-GOSISDBHSA-N 429.546 2.249 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705754708 DOMNNBBEMFACIA-LLLHUVSDSA-N 444.001 2.378 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Nc2cccnn2)CC1 1705896625 SKWDRNXGNGYNDE-UHFFFAOYSA-N 448.531 2.127 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705905009 GHUGVAOYZKRVIP-LJQANCHMSA-N 439.951 2.001 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 1705907788 XOWUIXIMLGFKGG-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cl)C1 1705916495 PNHUTTWXOILCNQ-ZBFHGGJFSA-N 439.969 2.371 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1709850103 DOMLVJYSMCWNPF-ZWKOTPCHSA-N 439.564 2.174 30 10 IEEE CN(c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1711042154 IJEOLBGRTCGRDT-AMGRQBIBSA-N 444.586 2.399 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1711236535 BDOWVBKESOEZCP-KRWDZBQOSA-N 435.575 2.105 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722320140 YDXJKMFOPFLBKQ-UHFFFAOYSA-N 436.560 2.143 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362073 RPGJLFHUEVTXSL-AZUAARDMSA-N 446.621 2.266 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSc2ccccc21 1722382016 DAHDUWZQWPDBJE-SJORKVTESA-N 426.567 2.143 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1722388213 RGPYKMUKFWLAAL-ROUUACIJSA-N 431.537 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1722398899 FDTSDJPORXOCNR-NRFANRHFSA-N 444.514 2.210 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCOC2=O)CC1 1722434636 SXBULLPVBPBCMS-UHFFFAOYSA-N 446.914 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2CCC)CC1 1722448125 SGKOFJJVUQYGBX-SFTDATJTSA-N 442.608 2.012 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1722606902 KFYABMDTPWOQBO-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](OC)C(C)C)C1 1722717355 JJGCRCFDQFMDAA-PMACEKPBSA-N 438.536 2.373 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1724325252 MGBSPGXZTDBLHS-IDYLYPCZSA-N 440.504 2.234 30 10 IEEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1728085241 BHNZZMOXCNUPNL-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1729284153 JOJUQAFZJYJGHR-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740591794 UFJBOMCRDDHFSN-SFHVURJKSA-N 442.470 2.033 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740637629 HDHMSVRWAYSIKI-LJQANCHMSA-N 425.533 2.422 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1740662448 RXCXSCQBEDARKF-HNNXBMFYSA-N 428.518 2.051 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(OCC)c2)CC1 1740698596 YCNKJCKZZWGUCO-UHFFFAOYSA-N 446.555 2.475 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCC[C@H]1C 1740938042 WGKAHZIVTZFBSX-ZIFCJYIRSA-N 434.562 2.433 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1745196560 GNRLQYROUHKGAB-FFZOFVMBSA-N 440.548 2.219 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC 1745285528 FSEDXCIDCPSJCR-MJGOQNOKSA-N 447.561 2.167 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1748831827 ZMFZLLWGSVDPTB-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)Oc1ccccc1F 1748847871 XZEZNDHGLKCFFD-ROUUACIJSA-N 444.532 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1748863785 HCZNXOYYZJMNBM-UHFFFAOYSA-N 432.572 2.387 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CCC1 1748868569 ZQTMCUAVEHPEAY-YKGWIAGDSA-N 432.590 2.083 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1748999504 YUXFYTXUHYIFTI-KNQAVFIVSA-N 439.560 2.436 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749129429 DEHOBKFMHUOGLU-ANULTFPQSA-N 433.597 2.310 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749133679 OXNPSORVPSUKFB-TWWGPRNNSA-N 427.549 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C 1749141292 YKHRQSYFXFBGHS-AEFFLSMTSA-N 439.626 2.465 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749265449 VRSQTDASULIQRW-MRXNPFEDSA-N 439.969 2.431 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)OC 1749327160 FNFHCWSIQYRUBT-JKSUJKDBSA-N 425.411 2.246 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1749617863 VITCDVLHKNAVHF-LJQANCHMSA-N 449.577 2.017 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(C)C)C1 1749663856 SCVNPYPQJGIAPK-HXUWFJFHSA-N 435.532 2.294 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1749686004 OCOMRGULSCPKNT-UYAOXDASSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1749717936 RGVQKYXWRIVBTH-XQFWAAQXSA-N 428.533 2.221 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(F)(F)CO2)CCO1 1750387395 XXPHGTJCVLGDLA-NEPJUHHUSA-N 443.252 2.189 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@@H](F)C1 1750966117 CNDCMRCYUXSCAR-SJLPKXTDSA-N 440.527 2.148 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H](C)S1 1752321364 NRQFNMHSIFWABG-HZPDHXFCSA-N 449.602 2.208 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1760184770 LWTUTPHPULFDQE-KRWDZBQOSA-N 438.500 2.244 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C)c2)CC1 1760261340 PGBDPCMGMNHDLN-UHFFFAOYSA-N 434.569 2.382 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC1CCCCC1 1760287716 CIIZCSKNZFPMIS-HSZRJFAPSA-N 435.532 2.366 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCNS(=O)(=O)CC)CC1 1760390505 IEQWHRCKIIXRDS-UHFFFAOYSA-N 433.578 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC1(C)C 1760515353 MFEKPPXQQIOJAN-UHFFFAOYSA-N 445.593 2.228 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)OC)C2)cc1 1760529447 GVEKCQKURKIHKJ-HKUYNNGSSA-N 439.516 2.232 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760568917 XEEGCIYLTVXEEK-QGZVFWFLSA-N 445.593 2.482 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 1762612287 WIMDJMGTDBXVSV-HNNXBMFYSA-N 435.511 2.217 30 10 IEEE CCCN1CCC(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)CC1 1764429763 SEFLTWMOUJQCDT-FCHUYYIVSA-N 434.560 2.494 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1767230967 CGNLJSIMMZGVOE-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769281163 JAHKEPANVDZVIW-SFHVURJKSA-N 436.495 2.226 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1Cc1cnn(C)c1 1771100304 MQOKIQLQWIYGSD-NRFANRHFSA-N 435.532 2.479 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(C)CCCS1 1771219935 SWTLCLXBNDLSSU-MMOPVJDHSA-N 434.610 2.464 30 10 IEEE COc1cccc(-c2cc3c(N4CCC(C(=O)N5CCO[C@H](C#N)C5)CC4)nccn3n2)c1 1848554503 WPBUDEQUZOITEK-HXUWFJFHSA-N 446.511 2.372 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1849215018 NIEMRAULAUVHGU-SFTDATJTSA-N 440.569 2.033 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 1849492667 ICXHDYPJVWUDNZ-UHFFFAOYSA-N 439.493 2.163 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1850370671 DTMXSPWXUAJZTM-UHFFFAOYSA-N 437.500 2.015 30 10 IEEE C=C1CCCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1 1850549260 PUIPXADEGNLUKE-UHFFFAOYSA-N 437.456 2.361 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3)CO2)nc1 1852450299 KLUTXGINUDYSHX-FUHWJXTLSA-N 426.860 2.319 30 10 IEEE Cn1nc(-c2cccnc2)cc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852766037 WPGOUXBRAODIGU-OAQYLSRUSA-N 447.495 2.290 30 10 IEEE COc1ccccc1-c1n[nH]cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1853075657 YFIROKAIDGXYEN-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE NC(=NOCCC(=O)N1CCO[C@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 1853464495 UKRJXRPKMYFSNL-LBPRGKRZSA-N 429.317 2.402 30 10 IEEE NC(=NOCCC(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc2C1)c1cccs1 1853526093 UAKBJXNQABKAPC-GOSISDBHSA-N 426.542 2.351 30 10 IEEE Cc1ccc(Oc2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)[C@@H]3C)cc2)cc1 1854378656 RYZMCPXLDITTIS-INIZCTEOSA-N 427.482 2.449 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)C(=O)C12CCCCC2 1854401509 QLSPELQKFGUSCH-UHFFFAOYSA-N 427.885 2.320 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@H]1CCN(C)C1=O 1857225464 FIKGCQDNLSHILD-APWZRJJASA-N 428.920 2.113 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 1862735357 ITMDTTDMJFRWOO-SFHVURJKSA-N 427.388 2.448 30 10 IEEE C#CCOc1cn(CCCCCO)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871006078 OIFHXHMLJBUSIP-UHFFFAOYSA-N 438.572 2.387 30 10 IEEE Cc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)c(C)c1 1874327016 RAWNAUGZJSHZPW-LSFURLLWSA-N 427.486 2.345 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccncc1 1874434813 YMGUZUSEXNJWQB-AUEPDCJTSA-N 434.485 2.133 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1895864394 KXIAXQZXANAHEX-CAOSSQGBSA-N 427.542 2.236 30 10 IEEE CC(C)(C#CC(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023918919 XZXFGIPFCTWBAL-CVEARBPZSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2060638390 WMWMTVHDMKPLBN-UHFFFAOYSA-N 446.300 2.154 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2124535729 NSYHFNXDQIYMQA-CWRNSKLLSA-N 444.341 2.217 30 10 IEEE C=CCn1ncc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(Br)c1=O 2162385899 VDRCMFVMEDAQHF-CYBMUJFWSA-N 442.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(c3cc(Br)cnc3C#N)CCN2C1=O 2174715846 QJLNNHYWNVOARV-STQMWFEESA-N 436.310 2.030 30 10 IEEE C=C[C@H]1CN(S(=O)(=O)c2c(N)cc(Br)cc2Br)CCO1 2190207280 HXUBEUKIEWPSHM-VIFPVBQESA-N 426.130 2.369 30 10 IEEE CC1(C)OB(c2cnc(OCCOCCOCCOCc3ccccc3)nc2)OC1(C)C 2227778460 SOWYKCZNXVAGLC-UHFFFAOYSA-N 444.337 2.405 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2248413610 YMARFOMPQLASOV-HNNXBMFYSA-N 437.371 2.362 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255617464 CNOVCMCOPAWGSE-KBPBESRZSA-N 434.346 2.179 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255623514 OEYDNPWJEUGZIR-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)n1 2255655273 KDLOHHXKMXRXBY-UHFFFAOYSA-N 431.342 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255827277 WPJJQLFWRZYGBJ-UHFFFAOYSA-N 432.330 2.006 30 10 IEEE CN(CCCN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256066505 CVNIGQOWPGQSKJ-UHFFFAOYSA-N 434.346 2.105 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2267090775 NQUVDIDOSODXMX-MOPGFXCFSA-N 436.365 2.303 30 10 IEEE CC1(C)C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)N(C(=O)OC(C)(C)C)C1 2267148142 ZDMRXZKJMSKCOD-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267163220 VRCAGZFGRQBMEV-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267189524 BKGUPJAVDFCDJG-CQSZACIVSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267267323 JLKHZCLWEHAPNG-LSDHHAIUSA-N 449.332 2.458 30 10 IEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267524275 NPYPGSHGDNMLGR-RBSFLKMASA-N 446.357 2.036 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1nccn1Cc1ccccc1 2267529166 JOCXNKHEDAOEMT-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268633408 SAGYFHJWIAUTJI-JKSUJKDBSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268785697 LFJROEVVCNRUIP-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@H](N)C#Cc1cccc(Br)c1 2278790797 VAUUKBCTUGLIMJ-HZPDHXFCSA-N 445.379 2.456 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](CCO)COCc3ccccc3)nc2)OC1(C)C 2320427104 QHCSSKLEGAMKHI-IBGZPJMESA-N 426.322 2.078 30 10 IEEE C=CC[C@@]12C=C(OC)C(=O)C(OC)(OC)[C@H]1[C@H]1C(C=CC)=C[C@@]2(OC)C(=O)C1(OC)OC 2333289834 JSAXPXNTZVWWDV-GMQQQROESA-N 448.512 2.357 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(Cc2ccccc2)C1 2337200881 OENCISAEJKRRHS-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)cc1 20527588 QZPLIYRHZOEZQT-WSDLNYQXSA-N 440.533 2.243 30 10 IEEE COc1ccc(CN2CCN(C(=O)COc3ccccc3C#N)CC2)c(OC)c1OC 30535257 KHDJJWDLFGRIFQ-UHFFFAOYSA-N 425.485 2.307 30 10 IEEE COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4cccnc4)c(=O)n32)c(OC)c1 254816247 DUWLIVFXTYBKIX-NRFANRHFSA-N 435.505 2.236 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 409514336 QKIGUSGTWUTZHR-WBVHZDCISA-N 436.582 2.444 30 10 IEEE C=CCN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)c1nc(C(=O)OCC)cs1 409816232 MMRIVHLARPXIDO-UHFFFAOYSA-N 443.572 2.306 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C 440379243 MCMZODDJGTXOSO-UHFFFAOYSA-N 432.505 2.091 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)cc1 494404006 ODRCWRZJXMYEMW-UHFFFAOYSA-N 430.305 2.310 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(c2ccnc(C)n2)CC1 508945712 NMLXWXJKSRWPKO-UHFFFAOYSA-N 446.563 2.063 30 10 IEEE CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(Br)cc2OC)c1=O 513735255 LLFPOPXHDYYYLA-UHFFFAOYSA-N 435.343 2.429 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OCC)cc1 514406421 GLWBIKFUGNGENH-IBGZPJMESA-N 449.577 2.222 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 514492033 KUBKLTAKJROEOD-MRXNPFEDSA-N 436.489 2.076 30 10 IEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cc(C)ccc1C 514492468 BXYDGHPNNGCJJG-SFHVURJKSA-N 447.560 2.170 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)cc2)c1=O 514648580 GSIHLCPVSSUDAV-UHFFFAOYSA-N 433.508 2.472 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)c1 523297338 ODDZXEKTOMDXDH-KRWDZBQOSA-N 429.542 2.416 30 10 IEEE C[C@H](C#N)CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CC1 533599575 WXERAJHIQKXWLV-MRXNPFEDSA-N 447.557 2.399 30 10 IEEE CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546177652 QXDLOQNCYZCJSV-UHFFFAOYSA-N 427.530 2.449 30 10 IEEE CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1 586054653 QHZUKIYEPRTQCT-HXUWFJFHSA-N 425.510 2.137 30 10 IEEE CCCCS(=O)(=O)OC1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 586507702 OHWDAQAKBNIYMC-QQFBHYJXSA-N 436.530 2.245 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 607057026 AVXNXTANNJFTLF-UHFFFAOYSA-N 444.561 2.442 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(-n2cncn2)cc1 611433231 USYDBOOSUCVCAO-FXAWDEMLSA-N 435.557 2.388 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 619103099 JSHIJPGTMUMPFC-UHFFFAOYSA-N 428.496 2.352 30 10 IEEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2ccccc2c1 730137063 CAQDCQIPAYQSTE-IBGZPJMESA-N 428.558 2.486 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)CC(=O)N2C)cc1 734921639 RAXISZGPBDPFAF-TXPKVOOTSA-N 427.482 2.399 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C#N)cc1 740212470 OJSFODFMCIFNBD-KUHUBIRLSA-N 441.371 2.416 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1)C(C)C 744428214 AFFKITFNUGYYID-MSOLQXFVSA-N 438.569 2.496 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2noc(Cc3ccccc3C)n2)c1 751634396 HAOIDDBLJYOFTJ-UHFFFAOYSA-N 425.466 2.237 30 10 IEEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCCC1 757171299 AOKVKRSRKPMUFO-UHFFFAOYSA-N 445.585 2.013 30 10 IEEE C=CCn1c(Cc2noc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)nnc1N1CCOCC1 761775070 AVQREYVRIYOTFZ-QGZVFWFLSA-N 449.515 2.103 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nnn(Cc3ccccc3F)c2C)n1 801809306 HUODAPDGCPEINH-UHFFFAOYSA-N 425.468 2.284 30 10 IEEE CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 808154071 KJSZNCHPPWOOTD-QFIPXVFZSA-N 428.489 2.013 30 10 IEEE C#CC[C@]1(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 809766301 WXRCFLWLMAZSJM-HSZRJFAPSA-N 446.523 2.467 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1)C1CC1 814705753 MCNMKUMIISDGMY-MOPGFXCFSA-N 432.590 2.419 30 10 IEEE CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918608211 GREWRKZLFUXZMP-ZESIPNTPSA-N 440.591 2.086 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCOc1cccc(C#N)c1 918840720 KXVJWRFMGXTEBT-UHFFFAOYSA-N 430.482 2.123 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)CC2=O)cc1 1117506497 WPUZWRYPBXQAPL-HNNXBMFYSA-N 439.903 2.314 30 10 IEEE C#CCN(C(=O)Cc1ccc(Br)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1125884389 UAHCXHSFCDKLHP-GFCCVEGCSA-N 449.164 2.403 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3-n3cnnn3)CC2)cc1 1132314946 DFDYZXVYVIXQGJ-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE C=CCn1cc(C(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)nn1 1136310099 VXPZMZNGCRZSKG-UHFFFAOYSA-N 447.421 2.491 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](c3nnc(N)o3)C2)C1 1149319437 UGOZGRAWPAQRGC-LLVKDONJSA-N 431.294 2.128 30 10 IEEE Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1I 1154116220 BEFZITLFWJUXDA-ZDUSSCGKSA-N 449.252 2.120 30 10 IEEE CC1(C)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1N1CCOCC1 1164312231 BDIILQIIAQCDMV-ATZDWAIDSA-N 430.936 2.180 30 10 IEEE C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176431412 DGENKWSEZQTYHI-LTMIRXACSA-N 439.537 2.463 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2ccnc(O)c2Br)c(=O)c1C#N 1183324809 NEOSEZSCAZCLMM-UHFFFAOYSA-N 442.067 2.346 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1286304750 OUANHFKBDOVINA-XLIONFOSSA-N 430.574 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC(=O)N1 1286422686 OEFSIUPSRIOPEI-QGZVFWFLSA-N 426.318 2.449 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCN2CC)CC1 1286483795 ZBOIAIKKTKHLHT-QFIPXVFZSA-N 436.604 2.311 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286493653 WSCQSTNYYZSZSL-DVECYGJZSA-N 444.624 2.291 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1286638148 VMUFQGUVHAGINH-BZSNNMDCSA-N 425.599 2.496 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286785782 IMYCCHCENJDNBO-UHFFFAOYSA-N 433.560 2.432 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1286792553 BNFPNIMRNQVLMZ-OAHLLOKOSA-N 432.937 2.255 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1286836632 PLCIBMWDKJFIQW-UGKGYDQZSA-N 446.621 2.414 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)n1 1290343504 PXDORTUMXARDOU-MRXNPFEDSA-N 429.322 2.328 30 10 IEEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1291051176 AXANJBIDRPOXOP-IAGOWNOFSA-N 446.577 2.245 30 10 IEEE Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)nn1-c1cccc(C#N)c1 1298676236 HQWOUJVGUIDULO-UNMCSNQZSA-N 436.560 2.359 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1300457643 GYCCBLBJNNYYQD-MRXNPFEDSA-N 432.569 2.234 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)C(=O)NCC2 1300520694 NAJPBCLIIUUWJT-UHFFFAOYSA-N 430.899 2.401 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCOCC1 1300579282 OUUHIIAJNSEOJL-UHFFFAOYSA-N 441.557 2.381 30 10 IEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C/C=C\CC)CC1 1300707062 VIDDJPKAIRELOU-UITAMQMPSA-N 447.631 2.364 30 10 IEEE C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)[C@@H](C)COC 1300717600 GMXWQZDIFXOQKL-GOEBONIOSA-N 430.954 2.460 30 10 IEEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300829486 FBWKGZHAYFCPRI-AWEZNQCLSA-N 440.729 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1300885265 OIEWQCBAUYHCKQ-BDXSIMOUSA-N 438.594 2.165 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301253057 VLQAFHGSVZSCJU-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CCC)C1 1301492948 SBYJIXJXCOHEGW-KRWDZBQOSA-N 427.505 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CCC)CC2)C1 1301534429 ANPZWQBHNVGVKJ-HXUWFJFHSA-N 430.597 2.417 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1301565320 BHHRJPAMHADXAL-LJQANCHMSA-N 445.589 2.403 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1CC1CCS(=O)(=O)CC1 1301809868 VGYBRGUUECCQEP-UHFFFAOYSA-N 437.591 2.122 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1302790037 WMGGHBMFKZSBRY-REWPJTCUSA-N 441.532 2.395 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1303641390 BAJVUWGHQLFSIS-QFBILLFUSA-N 442.545 2.434 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C(C)C)cc1C 1304381654 COQDMBZTANCZMD-PGRDOPGGSA-N 426.521 2.283 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(CO)(NCC4CC4)CC3)C2)C1 1306866296 BRNWFTJYPVAAEQ-KPRXVCGWSA-N 446.592 2.126 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(CN3CCNC3=O)CC2)n(Cc2ccco2)c1C 1308113679 UQUXLIYVHCDVTC-UHFFFAOYSA-N 438.532 2.294 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(C#N)ccn4)CC3)c(Cl)cc21 1309037563 ZJDRNFKBRAOPSS-UHFFFAOYSA-N 445.932 2.027 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OC 1309863220 GNCVOOSZUPPTIB-JTQLQIEISA-N 440.337 2.473 30 10 IEEE C#CCN(C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC)[C@H]1CCS(=O)(=O)C1 1311078762 OHSDJQQTHNSUKH-INIZCTEOSA-N 433.530 2.112 30 10 IEEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)cc(OC)c1OC 1315312673 FELMYDWCPGKSFV-AWEZNQCLSA-N 430.509 2.086 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](C)OC 1316298789 MPOANUUXOFYGCY-DVWBAYGPSA-N 441.532 2.487 30 10 IEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1316348743 FASZBLZVWGUWCP-UHFFFAOYSA-N 425.461 2.009 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC2=CCCCC2)cc1 1316533679 ZYMHPJMUDLUESR-UHFFFAOYSA-N 427.530 2.464 30 10 IEEE C#CCN(C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1347514832 MPTSEBOKCHCMTG-KBRMVUAJSA-N 429.586 2.404 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358920354 XQHGMKOZULTTCV-VQIMIIECSA-N 449.552 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358959615 MITMKQFQCDKMOP-UXHICEINSA-N 441.601 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1 1358984177 LMKAGNXXFIBJSQ-XMMPIXPASA-N 446.486 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1358997652 ADHPAMARECEWQS-QFIPXVFZSA-N 427.936 2.040 30 10 IEEE C=CCCOCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1359229799 VLZWGLWUSRIXCM-MAUKXSAKSA-N 434.459 2.290 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1cnn(C)c1 1359257709 SWZYEIZDKMEIOI-UHFFFAOYSA-N 430.516 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359295217 UKUQQNFUJBXJJU-XMMPIXPASA-N 436.560 2.261 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359304620 DBHVEJPCAHLGIJ-BEFAXECRSA-N 429.496 2.302 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC1 1360788615 XWRMFQVABBSLNF-AWEZNQCLSA-N 431.447 2.480 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 1450021165 AEIRGBSCGOGKRM-HNNXBMFYSA-N 447.504 2.429 30 10 IEEE CCCCS(=O)(=O)NCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1472182432 RGTXJGVORLKWBG-RKDXNWHRSA-N 446.360 2.335 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1472241196 JDQAPJQWJYAENA-SQNIBIBYSA-N 439.516 2.413 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)N(CCO)C[C@@H]2C)n(-c2cccc(F)c2)c1C 1473564716 OIJYETATGSZXCY-CVEARBPZSA-N 427.524 2.430 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@H](O)c2cc(OC)cc(OC)c2)c(C#N)cn1CC 1476760220 AJEJFKJXNSLZOB-KRWDZBQOSA-N 430.461 2.429 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1503370686 AEBKEZIUYYUMLI-UHFFFAOYSA-N 444.543 2.012 30 10 IEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1503970724 GJFVNKYFDUEAJO-FQEVSTJZSA-N 433.516 2.144 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1 1507512946 HENCJHZNKSCBRN-CQSZACIVSA-N 436.438 2.356 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507677258 WTLOIPRAIXMTJX-UHFFFAOYSA-N 443.861 2.428 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](SC)C(C)(C)C 1507710215 CYBZGBXZYIUSGK-JKSUJKDBSA-N 428.624 2.044 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(=O)NCC)CC1 1507723190 YWJIJZKIIUHNIS-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507747765 LDLJHPCFSMZAIL-KRWDZBQOSA-N 441.557 2.393 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508079323 QRCZRBXEJPGEEE-IBGZPJMESA-N 429.484 2.172 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1510279591 CLNDWFQQUHQOFK-HDMKZQKVSA-N 442.495 2.201 30 10 IEEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)cc1 1517876613 BCCJBOSFFQKBSO-SFTDATJTSA-N 440.500 2.357 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)CC2=O)cn1 1532530216 TUGSFFFPXVWGAN-INIZCTEOSA-N 434.418 2.069 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(n2cc(Br)cn2)CC1 1537635688 RQUMCYGTSWIFCU-UHFFFAOYSA-N 442.321 2.415 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539225408 NNYKOFRPBWBSEG-QGZVFWFLSA-N 434.512 2.378 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N1CCOCC1 1539307575 WKCDHZNMWWGLHB-IBGZPJMESA-N 437.544 2.146 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1539350529 OTXPNSIMZLIJNG-GOSISDBHSA-N 441.532 2.345 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(F)cc1 1539409035 MFTXCWKBBHYOPS-UHFFFAOYSA-N 425.464 2.474 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1539427312 AKOTZJLPLXSYHU-WZONZLPQSA-N 437.548 2.028 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H]2CCOC2)CC1 1539436137 KPDVHVQZXKJUOP-SFHVURJKSA-N 425.533 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2cc(C)cn2)CC1 1539474228 MANBYQKEOGNTGX-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539637970 WAQVOCHFKWWOJA-NFBKMPQASA-N 444.624 2.202 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1540121814 WZFVEQUMPMFYOA-RTBURBONSA-N 446.573 2.418 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1540862899 LRJHOBFQZBPEME-SJLPKXTDSA-N 440.548 2.004 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)nc2)C1 1540895747 YVVHCJHHJDMBAE-HXUWFJFHSA-N 436.564 2.430 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1541805238 MEJOOLUXFFFNLI-VQIMIIECSA-N 435.507 2.486 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1545929175 RZNURSCGXKFCGW-LJQANCHMSA-N 440.548 2.201 30 10 IEEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1occc1COc1cccc(C#N)c1 1546256706 HGSQMIWKJNOKQP-SFHVURJKSA-N 427.457 2.164 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)CC1 1547773639 YOIKHQLSLOUYLT-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](F)(C#N)C1 1555816651 QBTHLFYAINQZSS-KRWDZBQOSA-N 444.895 2.119 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCOC[C@@H]2CCCO2)cc1 1555991450 UIIKWWVTUYXHNZ-FQEVSTJZSA-N 427.505 2.151 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc1 1556629331 SOJKPRIJWGZXPN-HSZRJFAPSA-N 434.540 2.079 30 10 IEEE C#CCC1(O)CCN(Cc2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCCC)CC1 1560098791 RWYMTHUPOSJHLZ-UHFFFAOYSA-N 449.555 2.497 30 10 IEEE CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 1562249227 SDWLVEJWKDKXOZ-XKAFOEQXSA-N 435.550 2.022 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(=O)nc1O 1562654092 DZOFTZXTBCBUEO-GFCCVEGCSA-N 449.311 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)[C@H](O)C1 1565167210 PPCRTXDBRCUKRM-AZUAARDMSA-N 443.548 2.197 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588040407 MPUHFHXQHJWGOC-LEWJYISDSA-N 440.569 2.479 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1589096959 IZNKSRGZLHIZHG-LJQANCHMSA-N 444.649 2.120 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1589116040 BWKOHGLURGHBSG-SFHVURJKSA-N 443.573 2.337 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1589548280 YKIIXYNFKGZVNK-KURKYZTESA-N 440.610 2.413 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1593747308 UHTPKIDCCJXWKR-AVRDEDQJSA-N 427.505 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595500707 CGXRCISSBKALGE-GOSISDBHSA-N 425.924 2.077 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1595753757 IAFWJIWBCMSFHX-IAGOWNOFSA-N 449.552 2.205 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1597170118 HNKUCQPTXPPBCQ-QGZVFWFLSA-N 430.524 2.446 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1597325149 DLGHNSRIWRZAKE-LEWJYISDSA-N 443.640 2.280 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2nonc2c1 1603526388 KVAOYZVVSCLAFM-UHFFFAOYSA-N 427.486 2.138 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(CCc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 1616240003 YAGYJUOQGZUMGE-UHFFFAOYSA-N 435.452 2.429 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1619990024 MOTDQZJVZNELJV-BTYIYWSLSA-N 448.474 2.013 30 10 IEEE CON(C)C[C@H](O)Cn1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cn1 1623158635 XPWYELRGWJRFJR-NRFANRHFSA-N 435.484 2.440 30 10 IEEE C#CCN(CC(=O)N(C)CCN1CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1623821973 XKUXKAIHGWPBQV-UHFFFAOYSA-N 428.577 2.133 30 10 IEEE CCS(=O)(=O)C1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1624060971 LIDNLJPWTHSHBO-SFHVURJKSA-N 433.530 2.038 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)cc1Br 1625084321 JJWXQLAGOLLCCM-IYBDPMFKSA-N 444.289 2.496 30 10 IEEE C#CCN(C(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1)[C@@H]1CCS(=O)(=O)C1 1627465674 PZLAOPWTAPXEKM-MRXNPFEDSA-N 443.481 2.315 30 10 IEEE CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1628360895 NQLDVKJOEYJAAJ-WOJBJXKFSA-N 438.503 2.407 30 10 IEEE C#CCN(CC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)OC(C)(C)C 1628365467 JRVGDFSFEYZLJW-UHFFFAOYSA-N 425.482 2.075 30 10 IEEE CCN(CCOc1ccccc1OC)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1630459452 WDBIVKGIADGPLO-UHFFFAOYSA-N 431.514 2.347 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)C1 1633382116 NACBVQHDHRLGOA-UYAOXDASSA-N 444.329 2.358 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)cc1 1633938265 SYPHBOLWLOOVBF-OAHLLOKOSA-N 449.554 2.414 30 10 IEEE C=CCCC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C(=O)OC 1634884300 HBGPDXQNAHESOF-CYBMUJFWSA-N 432.589 2.113 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)CC1 1636479459 BOMYYHJZKYUQNW-SFHVURJKSA-N 427.526 2.052 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)CC1 1640202351 ZDRHYGHDXFIIIZ-UHFFFAOYSA-N 430.430 2.275 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl 1641745923 OAHSALNZPPIKAN-AWEZNQCLSA-N 436.917 2.288 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2cncnc2[C@H](C)C1 1643405341 SOJUMODFTSGYSI-PBHICJAKSA-N 427.530 2.076 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c([N+](=O)[O-])c1 1643438220 LHENQDCCEOQVAS-GDBMZVCRSA-N 438.506 2.155 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2cc(Cl)nnc2C1 1643627540 NFSQUAWZPKRGRA-HNNXBMFYSA-N 447.948 2.312 30 10 IEEE COc1ccc(S(=O)(=O)NCCC(=O)NC(C)(C)c2cccc(C#N)c2)cc1OC 1645324785 CPIQIMNQEVFFAF-UHFFFAOYSA-N 431.514 2.295 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@](O)(C4(C(=O)OC)CCC4)C3)n[nH]2)c1C 1645552147 RDKADLBKICMUNR-HSZRJFAPSA-N 441.532 2.386 30 10 IEEE N#Cc1cccc2c1CN(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)C2 1646562078 UNENRUAVVBLCTG-UHFFFAOYSA-N 444.944 2.060 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1648586500 NGEPKPZPIXONGL-HNNXBMFYSA-N 436.438 2.048 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1653213034 VWUPOQUUIOZKBB-KRWDZBQOSA-N 430.555 2.248 30 10 IEEE C#CCN(C)CCCNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 1678394911 GPDUOBREYWSIDD-IBGZPJMESA-N 426.483 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1689850391 AVRHUUFLAOPYPM-RYUDHWBXSA-N 447.508 2.356 30 10 IEEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCNS(C)(=O)=O 1689949156 SAXCDJPHFRWPAV-UHFFFAOYSA-N 444.586 2.386 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1689989330 DGXPWOJMWZQXEF-UYAOXDASSA-N 446.548 2.099 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCCC1 1690013642 XTEMNNAATFTRPT-UHFFFAOYSA-N 430.512 2.053 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690017179 AQENDNBOWYXEPL-GOTSBHOMSA-N 433.556 2.146 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1690077716 VGAFOVPFUZYSQP-QGZVFWFLSA-N 433.553 2.351 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)CC1 1690252980 LBONPJRHBVCKLG-XMSQKQJNSA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690664349 PSXFVYAJFSZBFG-HZPDHXFCSA-N 433.578 2.068 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690664501 VSQRQLFSMKGBOU-ROUUACIJSA-N 449.914 2.424 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(Nc2cccnn2)CC1 1690674936 KZDXJQCDMRAEPK-UHFFFAOYSA-N 446.559 2.236 30 10 IEEE C[C@](O)(CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1692801392 BCDXIBBLARUBIA-FCHUYYIVSA-N 426.496 2.140 30 10 IEEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1697273157 HRUYAYUFHJEUFL-HTAPYJJXSA-N 445.495 2.042 30 10 IEEE COc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1697348310 JNTXMRLJZKEFDK-CQSZACIVSA-N 436.472 2.142 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1698169095 FTXBGAQOCGPNSQ-GIVPXCGWSA-N 442.564 2.342 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1698188483 BWLZNIMRNKBNMA-OAQYLSRUSA-N 448.527 2.375 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1698443550 PZOYNFDREIETFN-DNVCBOLYSA-N 429.546 2.255 30 10 IEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1705516734 HYWVGPWHSXZYSW-ROUUACIJSA-N 444.536 2.119 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1705530768 USKJKYWBLGMXFP-UHFFFAOYSA-N 431.544 2.125 30 10 IEEE C#CCCCn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1705538963 FZZRRMUMFUHNEB-NZQKXSOJSA-N 441.580 2.469 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]1c1ccccc1 1705629029 VNAVAFCPXGLUKG-UFYCRDLUSA-N 428.558 2.070 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OCCOC)CC1 1705639527 QFMJKHUFRDEOMX-QFIPXVFZSA-N 439.560 2.348 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1705643131 SWXOCBCCBUKUNK-NTKDMRAZSA-N 439.560 2.172 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1705818589 PANHSUYDUNVCET-MRXNPFEDSA-N 435.532 2.250 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1705905243 OVCBSKMIWRTXHI-SFHVURJKSA-N 440.939 2.258 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1706072976 JAZHJTRBPFOSCS-OAHLLOKOSA-N 427.509 2.004 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)C1 1706934498 ATKLJXUFYGVLJN-GCJKJVERSA-N 430.553 2.193 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccccc1)OC 1708756765 HJKYHRCPYYDKOI-VQTJNVASSA-N 440.548 2.183 30 10 IEEE Cn1cc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cn1 1711255998 JHEPNAMCBGKEPY-VWKPWSFCSA-N 444.515 2.273 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2CCCCCO)CC1 1712881659 CQYCQQVAWLWFPU-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1722359825 WCJXNSYCFDDWOA-SVMVAKDDSA-N 434.606 2.408 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCC(O)CC1 1722378216 RILRAOQMFFDFPB-UHFFFAOYSA-N 440.551 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1722449076 FWCWMWZBYSIKBC-UHFFFAOYSA-N 435.572 2.472 30 10 IEEE C#CCSCCn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1[C@]1(OCC)CCOC1 1722463536 FTTVXXITBWTIIO-AVRDEDQJSA-N 443.573 2.349 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722591076 LLOJNFTUFFUVHT-QGZVFWFLSA-N 429.569 2.169 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722617820 MUYTZXPXSOEOJJ-HBMCJLEFSA-N 444.624 2.375 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1 1722704084 BRZFIOJFUGFKAY-ZHALLVOQSA-N 446.573 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 1722729209 YGGFPAIXZQSKGI-UHFFFAOYSA-N 432.594 2.189 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)[C@@H](C)C1 1722783555 WYJWHQNBBBKROI-UWJYYQICSA-N 438.532 2.069 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1722869730 RCSCEEJTKNIUBP-CQSZACIVSA-N 432.475 2.025 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1ccc(O)cc1 1729070222 LBXKUELTXJUWRF-UHFFFAOYSA-N 433.516 2.356 30 10 IEEE CNC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1729737050 FOIUFRDDWFHAQB-QZTJIDSGSA-N 441.536 2.171 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)cc1 1730122332 HIUCBTGOILGBGT-OAQYLSRUSA-N 447.543 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCS(=O)(=O)C1 1740633199 ZCMXGGUFKVBZIE-HNNXBMFYSA-N 447.358 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)cc1 1740657414 RXFFYMSGTMYEAU-HXUWFJFHSA-N 440.569 2.480 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)CC 1740679291 STSJJCKXRANWHZ-UHFFFAOYSA-N 437.523 2.397 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1740773169 VAUCCTCFMMQMOQ-MRXNPFEDSA-N 435.532 2.356 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1740785966 KLCNWRGKJVGPBI-IAGOWNOFSA-N 425.599 2.291 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740887141 CZNODPXHLMPOKM-WIYYLYMNSA-N 441.532 2.488 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740942054 ZYKVSDSSYZHXPF-QUCCMNQESA-N 442.564 2.089 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1F 1741131628 UYYNQCWZGKSRQL-ZDUSSCGKSA-N 427.440 2.215 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1748639937 NXLKCGCIEQNOCF-XYJFISCASA-N 445.589 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@@H](C)CC 1748648888 GHMQFBLGBZGOLC-HOIFWPIMSA-N 447.605 2.450 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1748816152 XSQHZSNKEOIVND-SFHVURJKSA-N 442.589 2.072 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1748817962 UCZBMWNWEARIMZ-LEWJYISDSA-N 442.585 2.214 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749032613 NGEFFBFNXNTVMP-UHFFFAOYSA-N 442.618 2.445 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749047501 XUZJZSUWNZHMJC-INIZCTEOSA-N 431.537 2.454 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnn(C)c1 1749142371 YSAJTSCGSKQDAS-WCIQWLHISA-N 430.553 2.353 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749234577 IFWUMJKALGWLTD-HXUWFJFHSA-N 429.569 2.037 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1749407863 ARCYWSMTWFOFQO-UHFFFAOYSA-N 438.536 2.276 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749740730 JBSFSYQOBPJCKI-OAQYLSRUSA-N 435.594 2.208 30 10 IEEE COCCN1C[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C#N)CC2)CC1=O 1749864343 NNMOLGLXTUTJKB-SFHVURJKSA-N 428.562 2.165 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OCC)c(OC)c1 1760095355 MWHLELGBAXLXMG-HNNXBMFYSA-N 429.521 2.338 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1CCCO 1760105786 VBIFPNKJLHOVGA-MJGOQNOKSA-N 427.549 2.267 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760142554 GKHNCNGSESPQPF-REWPJTCUSA-N 431.581 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C(C)(C)C 1760173168 LPYDYVABRQUGJJ-UHFFFAOYSA-N 429.521 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)NC 1760224019 URSPLFRUHQVQDL-UHFFFAOYSA-N 444.333 2.219 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(CCOC)no1 1760335884 RWUCLROFRADOMX-HNAYVOBHSA-N 427.509 2.463 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760359712 UYMHHISSNXYRQJ-UHFFFAOYSA-N 441.580 2.440 30 10 IEEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1760413321 DZMPIQZKVAFFDG-UHFFFAOYSA-N 440.596 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1760519003 OMPLNFMGFTWNHG-LJQANCHMSA-N 437.500 2.433 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]1c1nncn1C 1760520448 NPEUGLLQTGTADK-INIZCTEOSA-N 426.912 2.371 30 10 IEEE CCN(CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1765277058 GRBIJGCYVCUNOL-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE COC[C@H](Cn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1770782914 QSIBHLSVIIVSOA-NCOADZHNSA-N 436.557 2.306 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCC(N(Cc4cnn(C)c4)CC4CC4)CC3)cnc2c1C#N 1851755213 NQLXJKFELHXYBU-UHFFFAOYSA-N 446.559 2.468 30 10 IEEE COc1cc(C#N)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1852343692 OAWGUPUAGSLJJS-CVEARBPZSA-N 428.489 2.221 30 10 IEEE Cn1nc2c(cc1=O)C[C@H](N(Cc1ccc(Cl)cc1)C(=O)c1cnc(C#N)nc1)CC2 1853481366 BHYURANUXNPPBT-GOSISDBHSA-N 434.887 2.295 30 10 IEEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@H]1C 1856826332 IBLANLUGOQFCDG-OAHLLOKOSA-N 427.482 2.019 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862643853 WYQCCGSVMYZPAH-YPMLDQLKSA-N 446.387 2.407 30 10 IEEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(CC)CC2)cc1=O 1870562551 LOEZJMQLAUNYMM-UHFFFAOYSA-N 425.529 2.085 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CC)c([N+](=O)[O-])c3)C2)CC1 1872930669 DFISHEMSGHUIDY-QGZVFWFLSA-N 428.489 2.051 30 10 IEEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCC(N)=O)c(OC)c1 1874383368 MVGJMSICGLEKEY-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(F)c(F)c(F)c3)CC2)CC1 1890096227 PIHRFAMLBLSTPY-UHFFFAOYSA-N 437.506 2.295 30 10 IEEE C#CCO[C@H]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)C1 1892040594 WCJREPNUBQSJSK-FQEVSTJZSA-N 428.510 2.038 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2010227991 WELUUEPTVRIWNI-GVDBMIGSSA-N 439.553 2.027 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(C)(C)C#N)CC1 2060824911 CQFIVIVQJZGEEU-FQEVSTJZSA-N 443.592 2.458 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224122150 UZUDZULPUZVBIH-IAGOWNOFSA-N 433.358 2.309 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2235733206 ZTKFGFRMQKMHEU-BZSNNMDCSA-N 439.350 2.385 30 10 IEEE C[C@@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243370893 UOMDVGNIHDLFTI-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CN(CCN(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243423359 XNWPMUZUQFRPQN-UHFFFAOYSA-N 425.360 2.381 30 10 IEEE C=C(CS(=O)(=O)NCC1(N(C)C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2243435573 SQNHETOGZIXXDC-UHFFFAOYSA-N 430.376 2.493 30 10 IEEE C=C(CS(=O)(=O)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247905750 VFQGODRFMZKJOO-UHFFFAOYSA-N 442.387 2.493 30 10 IEEE Cc1nn(C)c(C(=O)N(C)CCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828866 XYAXHTHZJWRJLZ-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@H](OCc4ccccc4)C3)c2)OC1(C)C 2255949826 BLDRHSOFIASEPP-IBGZPJMESA-N 444.362 2.361 30 10 IEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957631 AXGPQTLHRZDOAY-INIZCTEOSA-N 432.330 2.127 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2266998964 VLHWGLJWJSZMDZ-LJQANCHMSA-N 437.349 2.012 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2267120393 JVJNWBURGIWEFT-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1 2267182403 GFCQFOIPNVRZOG-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2267274272 XZZDQMGFLJEPEV-QAPCUYQASA-N 443.353 2.462 30 10 IEEE Cc1cc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267606460 XWQZOLGZHLCKIC-ROUUACIJSA-N 446.353 2.316 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268606579 ATGNAKKCCOUHNW-PBHICJAKSA-N 447.341 2.344 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1 2269711711 RKCZCSMEZAVCBS-UHFFFAOYSA-N 449.332 2.378 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2272636787 OWYVUIQHALADTM-QMHKHESXSA-N 443.353 2.368 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCSCC(F)(F)C3)s2)OC1(C)C 2282338266 MILANJTZZVSQTM-UHFFFAOYSA-N 425.353 2.420 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCOC[C@H]3F)cc2Cl)OC1(C)C 2282833082 UXVPTDAHYBPKTE-GHMZBOCLSA-N 425.740 2.106 30 10 IEEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2296295940 IOEZHOPCRJDIQQ-MBOZVWFJSA-N 439.350 2.433 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2328573951 OHTLMWFDUBHSKB-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE COc1ccc(C=Nn2c(CCc3ccccc3OC)nnc2SCC(N)=O)cc1O 2328681802 MTRKEYNEUNHBJK-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CCC1 2337199925 AZNLMQRJBMDZOW-HNNXBMFYSA-N 448.373 2.143 30 10 IEEE CC(C)[C@H](C#N)CS(=O)(=O)NCc1c(Br)c(Br)nn1C 2364439984 FDTGTSMUZIVYIA-MRVPVSSYSA-N 428.150 2.160 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)c1 20291881 AABUWMFXSAZBHK-KEBDBYFISA-N 442.461 2.086 30 10 IEEE CC(C)c1noc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc12 22373984 QILMHRVQLDFQNU-UHFFFAOYSA-N 439.497 2.365 30 10 IEEE COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)N(C/C(N)=N/O)CC2 39932473 SPVJFGSZWVPRNM-NRFANRHFSA-N 431.489 2.424 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 254692804 YWXNOQPKWCDLBH-LPHOPBHVSA-N 444.534 2.255 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)cc1 462088901 KHNYNQVWRSIRGG-UHFFFAOYSA-N 431.456 2.137 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 482223630 OLTWZSFHUYDKHX-SJLPKXTDSA-N 442.541 2.019 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508952164 OYRLCUKJEWLLDM-GOSISDBHSA-N 435.532 2.461 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 520896767 XTEFCIXINBBTMJ-FQEVSTJZSA-N 430.472 2.390 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 576315940 ZXEPBKDXTUXXGZ-FUHWJXTLSA-N 430.578 2.054 30 10 IEEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)NCCc1ccccc1Cl 585673657 NMSJRVVKONXXEF-BCBJWTNWSA-N 426.860 2.072 30 10 IEEE CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 590400357 FWRIXSRQTSSYKX-MOPGFXCFSA-N 439.516 2.344 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 609261489 RWMPSXPDXSQICH-UHFFFAOYSA-N 442.522 2.350 30 10 IEEE C#CCN(C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 732062491 RVCPPNBBAWEKMK-NRFANRHFSA-N 445.585 2.291 30 10 IEEE CC1CCN(c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2[N+](=O)[O-])CC1 732152419 BBUXBYADDSYVOH-VZCXRCSSSA-N 427.461 2.087 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1 739522635 GJJRUNIDNMVPRD-BXBGIHQFSA-N 447.557 2.460 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 750961732 LTKSYNXSQNNTNS-CJAUYULYSA-N 445.523 2.231 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC(F)F)c2)c1=O 758067955 OSOIRDCRFYBVBA-UHFFFAOYSA-N 444.459 2.025 30 10 IEEE C[C@H](CC(=O)OCc1csc(N(C)C2CC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 758439914 HCGCUXLDWHMHMM-GFCCVEGCSA-N 434.543 2.302 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)C1 760300524 IUEKDFMOMOXCOK-SJORKVTESA-N 447.536 2.230 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)S/C2=N/[C@H](C)c2cccs2)C1 760322437 MLCSRABEALZBLS-CBWPIXGOSA-N 437.591 2.049 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CCN1C1CC1 768723029 UZKOIJPJIKTQQY-KRWDZBQOSA-N 432.406 2.028 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCCn2ccnn2)C1=O)NC1CC1 784125209 NPFGYJCRVPZIMR-LJQANCHMSA-N 438.557 2.457 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)cc1 786688897 PRAZEGKHSMDZNA-KRWDZBQOSA-N 435.571 2.030 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1Cc1ccccc1 794597040 SOAWVUPJRVLZQE-UHFFFAOYSA-N 427.464 2.310 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C1=O 797062331 SROLWLCRWWQXAF-UHFFFAOYSA-N 434.857 2.249 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccccc2)CC1 802084948 QJXVGYULJQMZHM-UHFFFAOYSA-N 435.553 2.152 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(OC)c(C#N)c3)C2=O)c(OC)c1 805223898 ODDPEWIUSYBALL-IBGZPJMESA-N 438.484 2.184 30 10 IEEE C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@H](O)c1ccc2c(c1)OCO2 806461588 TUMXIZSGVOWFPF-JMERFSKESA-N 431.470 2.345 30 10 IEEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 811136486 ISCKJDGVMCRWLA-UHFFFAOYSA-N 430.482 2.396 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)O1 1133997027 ODLUIVJYRYSUHR-VLCRHTCISA-N 431.508 2.335 30 10 IEEE CS(=O)(=O)C[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1141530394 QQXONXWCNATDNT-ZDUSSCGKSA-N 440.363 2.040 30 10 IEEE Cn1ccnc1[C@](O)(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F 1142041250 NHYWTIMUENEFGS-SCLBCKFNSA-N 447.458 2.263 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C 1157711265 BNYHYBSIINDEHT-HNNXBMFYSA-N 426.477 2.135 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C 1164601240 DAUBXOBHGQZXGT-RDJZCZTQSA-N 435.546 2.338 30 10 IEEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CCC(C#N)(c1ccccc1)c1ccccc1 1196537377 YSCAZWFPUKCBEX-SFTDATJTSA-N 446.507 2.054 30 10 IEEE COC(=O)C1=NO[C@@]2(CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)C2)C1 1197086506 HFBXEIPJKRBEGS-QFIPXVFZSA-N 427.505 2.424 30 10 IEEE Cn1cc([C@@H]2CN(C(=O)Nc3cc(CC#N)ccn3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1208111419 HRNLMPZMQPDYEC-DLBZAZTESA-N 425.493 2.406 30 10 IEEE N#C[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CCN1Cc1ccccc1 1265116172 VAJIEQGPJVNETI-MRXNPFEDSA-N 433.434 2.211 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc([C@@H]2CCOC2)cn1 1286271759 VHWLZGBZVRGKDG-IAGOWNOFSA-N 427.553 2.055 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1286350253 XZHIHDOHQUWGNH-WOJBJXKFSA-N 443.573 2.148 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1286397983 FPGMCVDKMJOXSS-HSALFYBXSA-N 449.621 2.021 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1286452723 SNGCAAHGEJTRTK-OAHLLOKOSA-N 425.468 2.228 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(C)CN(C)C1=O 1286459492 NIJDYIDGIXQLQR-DEOSSOPVSA-N 432.528 2.366 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC(=O)N1 1286461327 XDPXTDZWSXFVPY-DOTOQJQBSA-N 427.574 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCSC(F)(F)F)CC1 1286493285 NBNNCDZSIQZDQG-AWEZNQCLSA-N 431.484 2.001 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)N(C)C)CC1 1286647377 FTJFUMYOIXNBDZ-UHFFFAOYSA-N 425.505 2.195 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286712009 WMOQMVOIXKZOTN-FPOVZHCZSA-N 428.581 2.423 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286712010 WMOQMVOIXKZOTN-PZJWPPBQSA-N 428.581 2.423 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCS1(=O)=O)C1CC1 1286734714 VMMZKGOWFJUNIA-UHFFFAOYSA-N 447.561 2.153 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C 1286738970 KQRGSHSLSJOLCG-UHFFFAOYSA-N 449.515 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286784816 URHXLFCKJGMBJJ-HXUWFJFHSA-N 435.532 2.350 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CCO1 1287066872 SVPSKCRPQHDQJU-SFHVURJKSA-N 442.520 2.473 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4n(c3C#N)CCOC4)c2)C1 1289683461 LJCDWMRAXKAXAZ-GJZGRUSLSA-N 443.529 2.204 30 10 IEEE N#C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)c1ccc(Br)cc1 1290673886 AEYIYHBFLHHTLK-DLBZAZTESA-N 432.274 2.417 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@@H](C)O1 1291278819 CPSUAILHQAOFTE-HLIPFELVSA-N 427.505 2.148 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCNS(=O)(=O)CC 1291859445 HGBDTVAJMKBTGB-LJQANCHMSA-N 430.578 2.499 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1298722255 GXNRKZGMAGFDEI-UHFFFAOYSA-N 434.548 2.260 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1300454913 BOBZXCIJUKOAJV-UHFFFAOYSA-N 447.543 2.053 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300504634 PHYJMLUCAJQYBZ-MOPGFXCFSA-N 446.573 2.217 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nc(C)c(C)s2)CC1 1300685681 SAODYBZFFMFGHB-JOCHJYFZSA-N 444.605 2.001 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1300843073 ANNUKTHLMPUBMN-CJNGLKHVSA-N 437.386 2.448 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1300991516 OFCNLFVWBQMLEP-LJQANCHMSA-N 444.580 2.193 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)CC1)c1ccccc1 1301004208 VPXLMTVXGWKIBY-UHFFFAOYSA-N 438.576 2.386 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301212498 XEZWEGQARIWBMW-UHFFFAOYSA-N 447.561 2.406 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301236957 LNWGYKGPFAACEJ-QGZVFWFLSA-N 429.525 2.153 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301492904 RFHIIFYVYWBKKF-QZTJIDSGSA-N 441.532 2.127 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1301499014 VZMRFSYJXLXATQ-SFHVURJKSA-N 444.511 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(CC)c1 1301578758 HYNCNDGCBMHWID-UHFFFAOYSA-N 429.550 2.102 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1301612020 UMIAMVUILXLQQV-HXUWFJFHSA-N 445.589 2.478 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@@H]1CCOC1 1302685535 ICCIKKDMPRCPEX-IBGZPJMESA-N 439.564 2.438 30 10 IEEE CSCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302746617 QVMOFMSPIOBRPM-KRWDZBQOSA-N 441.561 2.297 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1307872279 LXQQFAYRYVHGJM-LJQANCHMSA-N 429.586 2.486 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1Br 1309113843 FJAZBSDJXTXNGP-UHFFFAOYSA-N 440.294 2.445 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1314682102 LFZAYUFFMKYKFB-INIZCTEOSA-N 439.488 2.112 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1314802979 DYAGOLVPPYMPOV-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)C(F)(F)F 1315183919 IHOQTEPZCLXGDG-UONOGXRCSA-N 449.499 2.278 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1316274178 NWVDZHWQVLARSR-ZPDADZDASA-N 441.532 2.050 30 10 IEEE N#CCCN(CC1CC1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS(=O)(=O)C1 1316536018 ALNFTMIBLVZSOL-IBGZPJMESA-N 428.562 2.219 30 10 IEEE C[C@H]1Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2NC1=O 1338477538 PXCXBLURBQFSIR-CJNGLKHVSA-N 433.420 2.057 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@](C)(O)CCOC 1358947439 BYLBNSJMUIVWQX-QFIPXVFZSA-N 435.569 2.250 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358954176 XVIIPMPACMFRLB-IBGZPJMESA-N 442.539 2.008 30 10 IEEE C#CCN(c1nnc(CC)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358963192 DIFIPKVOZHHIIX-AWEZNQCLSA-N 440.928 2.339 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O 1358995392 PGYRKSTVAXIWRI-LJQANCHMSA-N 428.533 2.438 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1359028958 KOPABHFNKPIDTJ-QFIPXVFZSA-N 435.620 2.367 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1359069712 VQXOGHBKDNYYHL-LBMBTHBCSA-N 431.500 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359299046 SNSGTIPLCDCILC-UHFFFAOYSA-N 445.527 2.112 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)C1 1359314340 ZDQDTRDZADHJRT-MBSDFSHPSA-N 447.580 2.146 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359326626 GBQHZUPCQJHYOF-NHAYFPRASA-N 426.583 2.165 30 10 IEEE CC(=O)N1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)CC1 1359366305 BHKFDVWKJCFYPI-HNNXBMFYSA-N 443.577 2.124 30 10 IEEE Cn1cc(I)c(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)n1 1436290139 UXWHONPPLPMYQZ-UHFFFAOYSA-N 432.225 2.012 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 1440740754 BPPFEDCRCFYSGK-UHFFFAOYSA-N 438.509 2.183 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C#N)c(O)c1)C2 1455790597 FUMJETGDGBKJEK-ZMPRRUGASA-N 429.473 2.182 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 1456854617 MHARXLIJRREPME-VQTJNVASSA-N 438.488 2.043 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 1469536242 ZWXJFJOZFGGMTJ-QZTJIDSGSA-N 427.505 2.265 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1 1470500059 STMNIIIPCGLLBT-JTSKRJEESA-N 447.557 2.118 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc(C(F)(F)F)c(Br)c2=O)c1 1473063173 SBBSMCVVHUECDC-UHFFFAOYSA-N 443.179 2.354 30 10 IEEE Cc1nsc(N2CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3C)CC2)c1C#N 1476736091 CNYNUIBVSZTCLS-UHFFFAOYSA-N 448.574 2.236 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)C2=O)cc1 1478419790 DIMLPQUDQQXFEL-XZOQPEGZSA-N 447.539 2.120 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1501799991 BGYBXULQORJWDY-INIZCTEOSA-N 425.585 2.126 30 10 IEEE COCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504802709 VBGKVDMQGPDICZ-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE COCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1505044623 NZFBHGDSUYYSOL-NRFANRHFSA-N 430.509 2.189 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCC(=O)N(C)C 1505060070 GYEFGFXRVZDRMA-FPOVZHCZSA-N 440.548 2.379 30 10 IEEE CS(=O)(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1505135059 YDVXSYPFNYEQOT-MOPGFXCFSA-N 445.545 2.014 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507628428 HNFMBABQCJYTIR-KRWDZBQOSA-N 446.548 2.406 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(C)cc1 1507653110 LLVCZTJSJDIMJJ-RTBURBONSA-N 426.542 2.029 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)OC(C)(C)C 1507687675 ROLXVEWCOVIXFH-UHFFFAOYSA-N 430.509 2.380 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1507731637 NWUQMJSBDNCWKX-KRWDZBQOSA-N 447.486 2.196 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1507756917 OTBAMYCKBLRAJO-UHFFFAOYSA-N 431.537 2.421 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508091043 JXDSQADJUIPWTQ-AZUAARDMSA-N 443.548 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2ccc(O)cc2C1 1508144040 MYNQOJGTISPJPM-UHFFFAOYSA-N 439.541 2.133 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCSCCCO 1508518254 QBAGTRSUZUIHRF-UHFFFAOYSA-N 429.594 2.284 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cn2ccc(C)cc2n1 1519277662 ODHHSHMZRQMEEV-IIBYNOLFSA-N 427.484 2.449 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)c(OC)c2)cc1 1525683953 QCLNQMLZWSPABG-CQSZACIVSA-N 425.441 2.127 30 10 IEEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCOCC1 1537957252 FFHQXIXIDTXKHX-UHFFFAOYSA-N 430.570 2.265 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(-n2cncn2)c1 1539029339 HVBUGFHDAUKSDB-INIZCTEOSA-N 446.540 2.357 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(S(C)(=O)=O)CCCC2)c1 1539038838 UZWCTUZYTIDFRL-UHFFFAOYSA-N 429.546 2.000 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1539203925 WATPOKMRVKXIIR-RBUKOAKNSA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539211888 PXIKWUYSLLXSAL-HXUWFJFHSA-N 429.590 2.302 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN(C)C(C)C 1539264983 BDPUGNPZPZOFRV-UHFFFAOYSA-N 434.592 2.255 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1539365628 OOHVDLPZACAGJE-QGZVFWFLSA-N 432.569 2.330 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539757962 FKZVGYIWQYRQIN-ICSRJNTNSA-N 425.533 2.207 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1540021235 ONLOVGJLCJCTTK-JOCHJYFZSA-N 432.569 2.234 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1)C1CC1 1540094676 JDUGYKPZKSFTDX-UHFFFAOYSA-N 447.341 2.365 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1540872819 BGISGLKWEQIKIR-UHFFFAOYSA-N 445.571 2.197 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(Cl)cn2)C1 1540882528 JYMJEZIVPHPAIA-INIZCTEOSA-N 434.928 2.325 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)CCOC)C1 1540888189 LQZWVXCBVMCYRQ-JTSKRJEESA-N 430.505 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540900240 PAAQZGPOVVPHEV-XMSQKQJNSA-N 446.573 2.239 30 10 IEEE Cc1csc([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)n1 1542849315 DOAHZVIRTISSFW-CXAGYDPISA-N 426.550 2.437 30 10 IEEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)c1 1542859939 GVBOIJWKZZGYLA-UHFFFAOYSA-N 430.559 2.372 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CC=CCC1 1548172507 XSCFGBPPVSGXKD-UHFFFAOYSA-N 439.539 2.414 30 10 IEEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(C(F)(F)F)cc1 1558806453 PVXLXWYOSFIGGQ-UHFFFAOYSA-N 444.373 2.031 30 10 IEEE C=C[C@@H]1OCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 1559843135 RQLQWRGFNFUFLE-ABUGPWQVSA-N 445.541 2.171 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 1559975999 FTEORLBINZOWSU-UHFFFAOYSA-N 441.572 2.003 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)CC2=O)cc1 1567193921 FWFLAZNYUDWYCB-KNQAVFIVSA-N 432.480 2.470 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](c2ccccc2)c2nc[nH]n2)ccc1F 1570180917 YSJYAGFCSCCARC-SFHVURJKSA-N 429.477 2.270 30 10 IEEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 1585302975 MKNAGLFDXMKQOI-CVEARBPZSA-N 436.365 2.199 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1587638898 HWVHRWCGHUIGPN-NVXWUHKLSA-N 425.514 2.341 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OCC)c(OC)c1 1587662565 OZGQMKVVCCLFPT-INIZCTEOSA-N 441.532 2.323 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1587915141 DISFBZFWHBHNHC-DLBZAZTESA-N 432.546 2.321 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1589036256 AWRGZVLZQJAXGR-UHFFFAOYSA-N 429.546 2.030 30 10 IEEE C=C(C)Cn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1593683674 NXUCPOARMGYSID-HTAPYJJXSA-N 445.568 2.335 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1593768503 FYZHEBOCZOZLGR-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C)n(C)c1=O 1595283190 NQQQOKLQLGSFKD-UHFFFAOYSA-N 437.500 2.368 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595330132 JOIVRWOXVMTVBZ-NRFANRHFSA-N 448.545 2.172 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOCC1 1595496724 FLCMPFSKQAPAQG-UHFFFAOYSA-N 440.729 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCOCC2)C1 1595737523 CEGOTBXPPYBJDR-SFHVURJKSA-N 433.578 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1595777453 MYLRYOJGYQYWER-ROUUACIJSA-N 442.589 2.336 30 10 IEEE Cc1ccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1611989788 BLSBNPRVHGMDLF-FCHUYYIVSA-N 448.575 2.480 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2c(=O)ncn2-c2ccc(C(F)(F)F)cc2)c1 1613862982 YANZDBQHJHUXAK-UHFFFAOYSA-N 429.358 2.382 30 10 IEEE COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)cc2)CC1 1616835988 LHACYMRNPSLCET-NYYWCZLTSA-N 425.460 2.342 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1618142483 IUQBMEUQGDOJAY-UHFFFAOYSA-N 448.474 2.033 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1619602332 DZPFJDLVKCYWFN-ACRUOGEOSA-N 441.532 2.283 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1624855395 KNVYIKGMHZQPAK-IBGZPJMESA-N 428.533 2.076 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1629838766 CBYVWZAFCURWEJ-HNNXBMFYSA-N 435.974 2.049 30 10 IEEE CC(C)(C)NC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1634407249 DORQELGUXROTLP-OAHLLOKOSA-N 431.924 2.217 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(O)c4ncccc34)C2=O)cc1 1636589041 YWXGFIKFGILEMC-SFHVURJKSA-N 429.436 2.333 30 10 IEEE C#CCO[C@@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1641123211 FQWQXQYIJPZFBW-ZWKOTPCHSA-N 445.564 2.211 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)OC 1642410910 QPZUXIRLLIOEMZ-KRWDZBQOSA-N 446.912 2.386 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1644057869 MWPVUQKTZNRBLF-UHFFFAOYSA-N 438.465 2.415 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C(=O)OC 1644823523 XFEIUQLHEWRNHQ-IRXDYDNUSA-N 431.489 2.468 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(C)(C)[C@@]3(O)CCCOC3)C2)C1 1646347554 XSKJBQOIASMBJD-NTPNBAIZSA-N 435.565 2.457 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 1682348586 IFQCNUGLCKAELU-SJLPKXTDSA-N 430.480 2.019 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cc1 1682680053 JXYLQBBOAQGYFF-HXUWFJFHSA-N 440.544 2.421 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2ccc(CN3CCNC3=O)cc2)CCN1Cc1ccccc1 1684600607 NOIBLJOURCBZMG-QFIPXVFZSA-N 432.528 2.131 30 10 IEEE CC(C)C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 1686873914 MKYBFOWLGTWPRV-QFIPXVFZSA-N 441.576 2.049 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1689993473 FEUPLAIMUOMQGS-IBGZPJMESA-N 428.558 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(O)c1 1690053017 WACCCQAZFBENBP-UHFFFAOYSA-N 449.536 2.495 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(CC)s1 1690054444 XRUUYSVIQOLNBY-UHFFFAOYSA-N 439.570 2.195 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccn(C)n1 1690088381 JXSCWPLPJRADSC-QHCPKHFHSA-N 438.507 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2ccccc2)CC1 1690150713 RJMXHYXBNAXQTA-IBGZPJMESA-N 448.571 2.170 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690163607 LDCBIVHSMHKPSE-NQIIRXRSSA-N 441.601 2.477 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690167886 PGVPFRAOJUGIJO-GOSISDBHSA-N 426.590 2.393 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccn2)CC1 1690188547 KRVKMBSRXVLFKY-ICSRJNTNSA-N 442.589 2.090 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690243225 ILQHQCZPUJVPPV-QRQLOZEOSA-N 448.593 2.063 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1690252641 HFVXCTXTFCCUIB-IIBYNOLFSA-N 429.496 2.256 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690476520 GDHCBJHHFOIAAK-UHFFFAOYSA-N 445.955 2.133 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1690597206 MORZYEXIXUNMAR-UHFFFAOYSA-N 444.530 2.490 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OC)C1 1690665783 PJLUCWSDCOXRSL-ZDUSSCGKSA-N 438.301 2.374 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)C)CC1 1690675687 BURIRGHGNZJQOH-UHFFFAOYSA-N 432.956 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1690717529 IXEQNOWBVTXTPK-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OC)C1 1690719280 JTZVHEDLLDEBEW-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1690732041 UIMMCDUSWPCEKH-FQEVSTJZSA-N 426.583 2.157 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1691003201 DSCAEGIESVGJFL-INDMIFKZSA-N 436.626 2.144 30 10 IEEE CNC(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1697002878 FBTQHAXLUNYHOK-UHFFFAOYSA-N 425.512 2.409 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1705475168 PMCWMXINYBARKX-GOSISDBHSA-N 445.527 2.268 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1705476557 BKOYDEYPEJCAQV-CVEARBPZSA-N 431.562 2.087 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2cnn(CCOC)c2)c1 1705507198 UXMAQUKNQKRFPW-UHFFFAOYSA-N 447.543 2.493 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705583162 RPHNKSBKKYZAEP-VIZSFHNOSA-N 449.555 2.363 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCC[C@@H]2C)n1 1705631769 PPNIIGYPUYUKSY-MBSDFSHPSA-N 437.548 2.307 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1705637976 SXQZHZIIKHYCRS-JOCHJYFZSA-N 437.935 2.051 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705673837 OHYCQOWRWCWAGE-IIBYNOLFSA-N 431.537 2.358 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nccnc2C)CC1 1705708764 GXUWXGBBCNCAPH-AZUAARDMSA-N 427.553 2.221 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1705732511 BPQUWIAHYXXEOT-UHFFFAOYSA-N 433.578 2.364 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1705901075 ZSMLSEGZRBYDJZ-MRXNPFEDSA-N 435.532 2.384 30 10 IEEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCOC1(C)C 1708273076 MIPBFIXHEZKECE-WAIKUNEKSA-N 438.532 2.211 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1710630206 FQBWYDLSXCIYQE-QGZVFWFLSA-N 426.521 2.103 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)CC1 1711471655 DKRKCDTTYYAFMG-UHFFFAOYSA-N 434.504 2.071 30 10 IEEE COCCOCc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712609162 NDENXZIOPKVLPJ-NRFANRHFSA-N 434.500 2.280 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(C(=O)N(C)C)c1 1712622957 XVDQMWABHJDUEM-UXPWSPDFSA-N 440.548 2.491 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1712694980 FUVWBSWNOVOIQE-OALUTQOASA-N 443.529 2.045 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCOC(F)F)c1 1712878345 CTXGLPCRONPMLW-WBVHZDCISA-N 430.459 2.408 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722613550 INGRSBVMIIKQPU-NQIIRXRSSA-N 425.581 2.239 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1(C)C 1722680978 FBGZJFMSRGHFMD-JKSUJKDBSA-N 428.624 2.351 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2C)C1 1722711992 YEKNQSRFEDTBCF-KNQAVFIVSA-N 430.553 2.190 30 10 IEEE CC(C)(C)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1723001919 LDONXGLXNMICJN-VZCXRCSSSA-N 441.580 2.383 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1726749460 IFLAJASKGPCZNZ-SFHVURJKSA-N 438.532 2.356 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740624832 BCNHSWSGKZYQDK-WOJBJXKFSA-N 428.558 2.042 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2)CC1 1740689924 KOESAZRBKPOOAW-UHFFFAOYSA-N 435.919 2.382 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740711324 LCNNYJLGMCOBDA-HNNXBMFYSA-N 444.517 2.497 30 10 IEEE C=C(Br)Cn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740749642 AYQOWMWTEBHSRW-YJBOKZPZSA-N 445.358 2.079 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1740779257 XYGCAYIIXXGYFH-CQSZACIVSA-N 440.520 2.069 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1740953087 VGJNYVAFIPNPGP-IRXDYDNUSA-N 430.528 2.390 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1740953224 YVLSDRXGNBTUFE-SFHVURJKSA-N 426.521 2.011 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)C1 1740973201 SLJISEKGSUQADJ-CABCVRRESA-N 425.580 2.088 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1741230414 VZHDYWHUPWAGNJ-CQSZACIVSA-N 433.900 2.247 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742320427 PMLGTBXUTUJLTP-XUTLUUPISA-N 446.515 2.305 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748819068 JWERYFUEPSIPIM-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCSC)CC1 1749003513 LXBMDMURCCWWJS-QFIPXVFZSA-N 449.621 2.038 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749199291 LZJBAOVDNJITBJ-UHFFFAOYSA-N 426.521 2.149 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1749211247 WCQUMQDJNCWHDU-INIZCTEOSA-N 447.540 2.093 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749228726 CCDWNEVNDWOBAP-KRWDZBQOSA-N 426.583 2.168 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1749240419 ZECMEOSVSMJOPM-QGZVFWFLSA-N 429.521 2.125 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1749285358 GXPIVXABVNGWQZ-UHFFFAOYSA-N 443.573 2.263 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1749584168 IETIZTBSGPIQTL-PGRDOPGGSA-N 427.574 2.332 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC[C@H]1OC 1749830277 ILWVYESBWCDBAJ-DOTOQJQBSA-N 430.509 2.187 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1749832505 KSSPWBVJEZYIFV-INIZCTEOSA-N 434.541 2.241 30 10 IEEE CC(C)(O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1750528730 LRCHHKQACIDUJO-JOCHJYFZSA-N 426.496 2.118 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(C)CCCO1 1750971364 BKZUVRZESOVJIF-CVDCTZTESA-N 438.532 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760121977 FXMYLNGNCVWRPZ-KTVWJZFRSA-N 434.500 2.150 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760129550 RBQRPRDKJDFYDD-IBGZPJMESA-N 435.532 2.165 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760145265 LHGLJLGMDXAVFI-YLJYHZDGSA-N 441.532 2.181 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760184667 YJDVMRIGDUDFBA-SJORKVTESA-N 446.504 2.303 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760188818 MYFDOLGGZDALFR-MOPGFXCFSA-N 444.605 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2nc3c(s2)CCCC3)CC1 1760269950 HUYXGSOFOLTPFS-UHFFFAOYSA-N 426.590 2.384 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760285583 KQBQHBIFYUEGCJ-DLBZAZTESA-N 432.477 2.477 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](C)C1 1760524254 TXQOUUHBOHSGQO-GOSISDBHSA-N 438.580 2.381 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc([C@H](C)O)cc2)CCOC1 1761291501 LJFDILALMVSIDJ-KPDCDPCYSA-N 441.532 2.149 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1767195488 NKODIOVTTRBWFV-UHFFFAOYSA-N 436.438 2.294 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1767234905 SPCAKXPHZRTTIL-DVSFIDLUSA-N 430.553 2.256 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1767767806 BPLYNUBAEWGYNS-XXBNENTESA-N 438.532 2.117 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1769237689 GXXLHKLRLQNMRL-SFHVURJKSA-N 437.504 2.101 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CCC1 1771224372 JMYDYKPHPDGTOW-YLJYHZDGSA-N 441.532 2.367 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CCCCN3c3nccs3)CC2)nc1 1851841586 MPEWQDKAOPWQFQ-SFHVURJKSA-N 426.546 2.134 30 10 IEEE C[C@H](C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1)N1Cc2ccccc2C1=O 1852104883 RGLGQVPUXPLRTI-XMSQKQJNSA-N 449.507 2.226 30 10 IEEE CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(C#N)c1 1852767789 BIBURJNJHOFALV-NRFANRHFSA-N 425.510 2.041 30 10 IEEE C=CCN1CC[C@H](N2CCN(C(=O)C[C@@H](OC)c3nc4ccccc4s3)C(=O)C2)C1 1853741103 HUDKMOISMRZCRZ-FUHWJXTLSA-N 428.558 2.305 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(C)sc2-n2cccc2)C1=O 1854242859 XLYASLXWPQHENF-ZWKOTPCHSA-N 426.542 2.307 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2c(F)cccc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644549 JOAAZUUIMQRIPV-CYBMUJFWSA-N 449.891 2.341 30 10 IEEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3C)C2)CC1=O 1855759128 QKOJGHGHPZWWOW-INIZCTEOSA-N 439.965 2.048 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC 1858626824 FPHOYIQJWHIQIY-UHFFFAOYSA-N 430.486 2.114 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 1858965194 OSBFLVRAWXGCHX-UHFFFAOYSA-N 442.449 2.324 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(C)cc2)cc1 1859011221 VCBLQWCYNMBKHB-UHFFFAOYSA-N 432.498 2.334 30 10 IEEE CCNC(=O)COc1cn(CCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870290335 ZZFILQKDSCFVFZ-UHFFFAOYSA-N 444.557 2.230 30 10 IEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699778 ORVXOCHGTKRZQL-UHFFFAOYSA-N 441.543 2.255 30 10 IEEE COc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1 1874289536 JVUHMYGMOISMFU-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1F 1889423432 ZALZKRYJNJVJRT-UHFFFAOYSA-N 431.552 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1964922015 FCZMJQFKKUWKOV-AABGKKOBSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124532408 KAAKIMPCQSRECF-HRCADAONSA-N 446.357 2.396 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124538116 GJWUPBLOLLLLQI-MSOLQXFVSA-N 446.353 2.284 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678992 SWLLKJDONMPXQC-UHFFFAOYSA-N 443.313 2.136 30 10 IEEE CCCS(=O)(=O)CCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778870 VEUGOMNAFLCQBP-UHFFFAOYSA-N 447.204 2.404 30 10 IEEE CN1CC[C@@](CNC(=O)OC(C)(C)C)(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224118790 CCKVMDPSRAVECZ-QFIPXVFZSA-N 433.358 2.359 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H](Cc1ccccc1Br)C(=O)O 2237397533 CYOORTCMEXBXSW-LLVKDONJSA-N 427.114 2.273 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 2247571275 IWURHOSAISIXCB-JXORXQGFSA-N 437.537 2.045 30 10 IEEE C[C@@H](Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2254795926 NLNLHVZUCDBGAJ-CYBMUJFWSA-N 437.321 2.302 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255601678 HUPFMCFYCAYWKD-KGLIPLIRSA-N 434.346 2.179 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630471 KXBHMTKPYPXETR-AWEZNQCLSA-N 436.362 2.426 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOCCCNC(=O)OC(C)(C)C 2255668558 BEVXCMBAXZDKOF-UHFFFAOYSA-N 437.346 2.383 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255698712 RZRAMGQLCNBFDW-NYHFZMIOSA-N 429.326 2.120 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)cn1 2258963811 XYRPZJCREGMYMQ-MRXNPFEDSA-N 432.330 2.127 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2267163587 XTBYECHGFUCOSA-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267179046 KMBKGGOSJNGXIU-SFHVURJKSA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 2267183965 RKLOWBZSFDRRGA-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493847 NWDVBIMDAVIDMH-GASCZTMLSA-N 448.373 2.061 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267547101 GGGOPAJFRWPUFZ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267595565 WTFJRPQVPPTRKW-MRXNPFEDSA-N 446.357 2.151 30 10 IEEE C[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2267727436 JMCGXQKRUWGIIN-CYBMUJFWSA-N 431.385 2.115 30 10 IEEE C[C@@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268714586 BDHAJVHLRRUGMR-WBVHZDCISA-N 448.369 2.296 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)cc1OC 2296576791 CMVBMKWWKNIIOC-HXUWFJFHSA-N 425.485 2.472 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 2297060405 VBDXNKGGGIZOCC-OAQYLSRUSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300334967 YXOTUCIWFQEAKP-UHFFFAOYSA-N 441.334 2.131 30 10 IEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2302961334 WVHHEJRCYUFXQQ-HXUWFJFHSA-N 449.617 2.311 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@](CNC(=O)OC(C)(C)C)(COCC)C(=O)O 2306352650 SFGHGAJVIKEAMS-OAQYLSRUSA-N 445.557 2.432 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OCCC)cc1 2330742642 JFLIEGAGOPHESJ-UHFFFAOYSA-N 432.550 2.204 30 10 IEEE O=C(CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(O)cc1O)NCc1ccco1 2330950798 JPMGJHMZYDOKEN-QGZVFWFLSA-N 443.485 2.425 30 10 IEEE CC1(C)OB(c2ccc(CN3CC(CS(C)(=O)=O)C3)cc2Br)OC1(C)C 2377303608 HTUSGJFNYHIHTJ-UHFFFAOYSA-N 444.200 2.225 30 10 IEEE C=CCn1c(=O)c(=O)n(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 33272459 NLMZKNWWNXCBKS-UHFFFAOYSA-N 448.523 2.097 30 10 IEEE CCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 33436996 IWLPHXNGRGBGJQ-SFQUDFHCSA-N 445.614 2.319 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(C)cc(C)c3)n[nH]2)cn1 59887385 LGJFFWYPWPYXCQ-AWQFTUOYSA-N 428.522 2.441 30 10 IEEE C/C(=N/OCC(=O)OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 96893564 AYLVXTZHGSVXJI-ULJHMMPZSA-N 439.468 2.048 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CSc2nnnn2C2CCCC2)cc1 109890502 RKAKKKQOQFPPAL-MRXNPFEDSA-N 443.558 2.292 30 10 IEEE COCCN1C[C@H](C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(OC)c3n2)CC1=O 170509591 QPBRSPQWKQKEDJ-OAHLLOKOSA-N 448.483 2.043 30 10 IEEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1 254838827 TZJCXOSINXWQAP-UHFFFAOYSA-N 440.532 2.163 30 10 IEEE N#Cc1cnc(N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)cn1 302322836 WXTAXIXNJSPPTB-UHFFFAOYSA-N 428.337 2.073 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@]3(CC=CCC3)C2)CC1 303552610 JUYWZRZJXKMEKV-QHCPKHFHSA-N 442.585 2.213 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 441240501 XKNWHYZKFYDZLC-HNBVOPMISA-N 447.919 2.320 30 10 IEEE COc1cc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)ncn1 461353024 UILUFEHQTXJZPW-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(F)c1 478137877 QLRQPONYQTVZLQ-UHFFFAOYSA-N 447.517 2.456 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(F)cccc2CC)c1=O 478734025 MYKJDXDOSVDGHN-INIZCTEOSA-N 426.513 2.296 30 10 IEEE N#CC1(NC(=O)CN2CCN(Cc3ccccc3)CC2)CCN(Cc2ccccc2)CC1 482603820 MWFKXPUNHMHGJZ-UHFFFAOYSA-N 431.584 2.479 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@@H]1CCCO1 489095928 KTAVNCRRUQUVJJ-INIZCTEOSA-N 448.491 2.418 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 508462808 AFVGYTZSHOESSM-MRXNPFEDSA-N 435.532 2.119 30 10 IEEE C=CCn1c(N2CCN(CCC(=O)N(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 508933656 YTZOFPPYDDKSGT-UHFFFAOYSA-N 434.491 2.193 30 10 IEEE Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)nnn1Cc1ccncc1 509082451 WHUOCTPYZZGMOC-GOSISDBHSA-N 433.497 2.055 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(COCc3ccco3)c2)CC1 524498720 CPBYYAZRQXSLBH-UHFFFAOYSA-N 426.517 2.126 30 10 IEEE CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 537453559 BIYADNLCJCDVGU-RBUKOAKNSA-N 434.562 2.168 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(F)c(-n4nnnc4C4CC4)c3)CC2)n1 546219716 DNCUXBDKQWLUON-UHFFFAOYSA-N 433.451 2.300 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 575909690 PHKYLZUEIJVSKE-GOSISDBHSA-N 435.525 2.129 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 576865445 UBYBLEKIKMRPCP-FUHWJXTLSA-N 435.550 2.294 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 604327281 FBHOXXSLXMGRPT-SFHVURJKSA-N 439.541 2.367 30 10 IEEE Cc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1C#N 611644832 UFKWSJVZKIDPSE-KRWDZBQOSA-N 426.498 2.238 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 619742125 HTQJDTHFONFZIE-OXJNMPFZSA-N 439.520 2.028 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 669804732 GFKZBGGPAFTMKH-MRXNPFEDSA-N 428.541 2.090 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3c(C)oc(-n4cccc4)c3C#N)CC2)cs1 728501700 QDQBVMDKYKABRC-UHFFFAOYSA-N 445.526 2.162 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(OC)c([N+](=O)[O-])c3)c2=O)cc1 730251007 DJYAPOUPHCETNC-UHFFFAOYSA-N 448.460 2.241 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)n(CCC)c2=O)cn1 735068444 BEVAJQIAVXFJCX-KRWDZBQOSA-N 449.580 2.307 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)Nc2ccccc2F)CC1 755773759 SUXOENCHRLKMJL-UHFFFAOYSA-N 433.491 2.478 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCN(c2ccccc2F)C1=O 758778235 RPUPMMIDSAGMKH-YXJHDRRASA-N 445.495 2.331 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)[C@@]12CCCO2 758865963 AGDVGYORPUYGFL-AYMMHLMVSA-N 442.541 2.352 30 10 IEEE CCOc1ccccc1N1C[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1=O 760402884 AAZBPEDDBKYPTA-MRXNPFEDSA-N 433.530 2.358 30 10 IEEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2cccc(C#N)c2)c1F 761162190 BZJHTMQUYUAZJX-UHFFFAOYSA-N 441.234 2.365 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 777357180 SFVPHTLQGJQPAA-WBVHZDCISA-N 437.443 2.458 30 10 IEEE CCN1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1cc(F)c(F)c(F)c1 782847091 OSSQOMYDZYFIKY-LWVWLMNUSA-N 436.434 2.272 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1 789154304 DYGUCXONCAFPJA-CTNGQTDRSA-N 443.935 2.300 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCCN(Cc3ccccc3C)CC2)n1 789324069 WYAOMFJNKDTZKD-UHFFFAOYSA-N 437.588 2.008 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 790844721 WHOHBPMMCMEJOW-UHFFFAOYSA-N 445.516 2.271 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CO[C@@H]3CCCc4ccccc43)CC2)o1 797491487 CTOKNOOSHSTFDJ-HXUWFJFHSA-N 438.484 2.141 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)nc1C 800488963 WOKZOSVOPINVCX-RTVIJUSBSA-N 425.539 2.450 30 10 IEEE C[C@H](C#N)OCCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 801817412 YESFDMVJGNBTSH-DOMZBBRYSA-N 431.308 2.074 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccccc1 802141101 FKJXXBYSNAZULP-UHFFFAOYSA-N 425.514 2.258 30 10 IEEE COc1cc(OC)c(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c(OC)c1 802779341 SVEBPGCTDFBEQG-UHFFFAOYSA-N 434.445 2.260 30 10 IEEE CSC[C@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1134507156 MZUPEKAAAWREHZ-WTGUMLROSA-N 441.553 2.365 30 10 IEEE C=CCOC[C@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C(=O)OC 1139176260 UGDTVGONCXYMNJ-NSHDSACASA-N 443.685 2.157 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1141738846 BUGPMKSDIXANJE-UHFFFAOYSA-N 431.539 2.108 30 10 IEEE Cc1cc(C)nc(C2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1151411906 NLCYIZOAXTZWCD-UHFFFAOYSA-N 441.557 2.318 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 1157653274 JFFAQTWYZVQXKB-MRXNPFEDSA-N 427.461 2.299 30 10 IEEE C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1175861579 NWQSDXUEWYREOL-GAJHUEQPSA-N 428.533 2.275 30 10 IEEE C#CCCN1CCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 1185956916 JWVSVIKXYCJCBF-RTWAWAEBSA-N 433.574 2.052 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1C 1197809008 PGPNMTMULYDACM-NRFANRHFSA-N 443.573 2.145 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1286276531 XTLBKRCHIVYWEU-LSDHHAIUSA-N 428.518 2.050 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1286386760 HCVBKYIILPOYRH-FQEVSTJZSA-N 429.590 2.304 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1286444289 VGFDWSBNWCWTAN-JTQLQIEISA-N 429.834 2.143 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2csc(CC)n2)CC1 1286493257 MUVXKOHUOUPXFY-KRWDZBQOSA-N 442.589 2.205 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286504609 STUGGAGQUNJJPG-QGZVFWFLSA-N 441.605 2.479 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1286968519 SBVGFIBPJHBHAU-SJORKVTESA-N 436.557 2.345 30 10 IEEE CCOCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1297460959 BRNASVBRXQGBHI-IBGZPJMESA-N 425.537 2.192 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1297760268 OTOVANJZCCWTLP-GOSISDBHSA-N 446.577 2.009 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1COCCO1 1298325872 OWMNDINGQVKRCL-LJQANCHMSA-N 447.499 2.239 30 10 IEEE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1CCCN(O)C1=O 1298543387 QMPNXABABQPUEQ-GMCKNXKJSA-N 425.557 2.226 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)C1 1299072054 AGYWGYFYNLVMEC-QGZVFWFLSA-N 432.475 2.451 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N(C)C)CCOCC1 1300479047 HGUKWXAURKUCCP-HDICACEKSA-N 446.596 2.229 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300488256 CJPMYUSUWZQULG-DZGCQCFKSA-N 440.928 2.399 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1300630543 DOCYBWDTCIOSJW-AWEZNQCLSA-N 431.543 2.405 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCCCC2=O)CC1 1300701679 ZGNQFLFKNXXBMP-UHFFFAOYSA-N 434.588 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1300718744 WEVFANGQYWFDHP-UHFFFAOYSA-N 439.523 2.420 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300990355 JRTSFVKNEIWPGL-CTNGQTDRSA-N 432.613 2.058 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)CC1 1301124425 IDHXDFLQMCCSDG-KRWDZBQOSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301491362 HMOWRFBSDAKDOU-SJORKVTESA-N 428.924 2.148 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC2CC2)C1 1301544187 UFINCMDLZQAKAY-HNNXBMFYSA-N 449.353 2.343 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1301610986 BNOQKUXEUCNITO-DLBZAZTESA-N 443.639 2.157 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 1303558368 YIDLVKBPVRCYHS-KRWDZBQOSA-N 443.481 2.190 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc([C@H](C)CC)cc3)CC2)C1 1313282003 KBNFUOKTXCUCCF-TZIWHRDSSA-N 446.617 2.314 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1358874184 UIWQDODDHZQTRD-DNVFCKCGSA-N 441.580 2.179 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnccc1OC 1358951531 AQGFSLIDZUIYCV-UHFFFAOYSA-N 445.571 2.164 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1358985908 JSMHYOWWVHIWIE-HYBUGGRVSA-N 436.560 2.476 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1359006847 LGQNMQYHRXQCAU-UHFFFAOYSA-N 433.560 2.395 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1359127427 QBNIMELMQIYTKN-HOTGVXAUSA-N 431.628 2.059 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCNS(=O)(=O)CC)CC1 1359162131 FEWOWVPWTNTSJV-UHFFFAOYSA-N 449.577 2.448 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359226994 QPIAVCYUXRCYBC-FQEVSTJZSA-N 440.548 2.470 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359289751 IRNHVDFBTJXECB-UHFFFAOYSA-N 443.483 2.034 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(OC(C)(C)C)CC1 1359291420 PKAWBYPGWSVPEZ-UHFFFAOYSA-N 434.585 2.283 30 10 IEEE C=CCc1ccc(OCC(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c(OC)c1 1436565749 PBNMDBXXZWBZNZ-OAHLLOKOSA-N 425.425 2.168 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)OCC 1438405268 XJFNTJMVQDYOBN-TUXXCZFBSA-N 427.929 2.314 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Cc2cccc(F)c2F)CC1 1451332542 BSWRJXQUVIZCMO-UHFFFAOYSA-N 433.480 2.485 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 1455792408 OYJDANYQZZVCGC-GOSISDBHSA-N 441.528 2.477 30 10 IEEE CC(=O)c1cccc(C#N)c1OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1459238639 LLXZBJUIMYWSOJ-INIZCTEOSA-N 432.523 2.417 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 1464186124 DTLRFELSTITBGZ-UHFFFAOYSA-N 432.523 2.276 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 1464248357 LGANROXDCQDPRZ-IBGZPJMESA-N 449.573 2.394 30 10 IEEE Cc1nccnc1N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1467392080 UHJQVYSFSWBFCX-OTQYULQBSA-N 440.548 2.221 30 10 IEEE CN(CCN(C)C(=O)C1(c2cccc(C#N)c2)CC1)CCN1C(=O)c2ccccc2C1=O 1468608353 SGDRZUJGDGTSEU-UHFFFAOYSA-N 430.508 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 1469107736 NVFVPZJQZKHTGO-PKOBYXMFSA-N 447.557 2.476 30 10 IEEE CCOC(=O)Cc1csc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1471807791 SVRSJKUNAVQWOE-CYBMUJFWSA-N 446.916 2.443 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCc2nnc(C)s2)c1 1492547507 ALCKGZIJFDUEME-QGZVFWFLSA-N 425.518 2.297 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)CN(C)C 1502208763 CRMFMCNTOHFAFD-UHFFFAOYSA-N 432.594 2.275 30 10 IEEE COc1ccc(CCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c(OC)c1 1504239670 SCUJCUSVEWJGMS-UHFFFAOYSA-N 433.516 2.440 30 10 IEEE CON(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1505092418 OZFABMMWLVWXMD-BQOWYSNXSA-N 430.440 2.081 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(=O)(=O)CC 1507517684 RAHQCCCHKPGMDE-GJZGRUSLSA-N 439.969 2.469 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507567140 NWNIYRHNLJVINO-HXUWFJFHSA-N 444.605 2.175 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507629899 QQGRHMXOAOBERH-ROUUACIJSA-N 445.564 2.195 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1507788768 QKUMGHMWAUVGRA-UHFFFAOYSA-N 425.356 2.244 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1507826197 JKNVDHJHNXUOIM-UHFFFAOYSA-N 433.520 2.072 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507841431 ZRDMYAGHZAYNKS-UHFFFAOYSA-N 449.559 2.302 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1507868343 IDIAIFRCNAXGOB-INIZCTEOSA-N 444.001 2.065 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507888923 KXQDGKUAVWHNFG-NRFANRHFSA-N 437.592 2.363 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)NCC)CC1 1508109189 PCXDWFPAVKIHNK-UHFFFAOYSA-N 428.537 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)C[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1508148522 IRHXPQPFVQOZAE-QKLQHJQFSA-N 426.583 2.013 30 10 IEEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1508731348 BJFWXYJRGSJYGD-MRXNPFEDSA-N 434.541 2.097 30 10 IEEE CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)OC 1513250536 CRMDIWVLNNLDDU-YJBOKZPZSA-N 426.587 2.224 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C 1515813276 HDVBWZPGYUOUGO-IAGOWNOFSA-N 444.543 2.278 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2Cc2ccc(C#N)o2)CCOC1 1516138446 GERNNGLDXOYBSW-OAQYLSRUSA-N 425.493 2.122 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c(C#N)n2)cc1 1529893971 XALVEPKPLVVHJD-UHFFFAOYSA-N 425.264 2.150 30 10 IEEE CS(=O)(=O)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H]1C(F)(F)F 1538917463 ABDDEZNKEALVLT-RHSMWYFYSA-N 447.454 2.348 30 10 IEEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539055834 JLTIGLZHLIIAOY-UHFFFAOYSA-N 448.571 2.238 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539218672 BYTPBSLFSKTPBK-ROUUACIJSA-N 447.605 2.389 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1539226443 YBSJRPGORDPZGI-GOSISDBHSA-N 431.537 2.173 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1540043727 FHSZDGYSFWZZNK-LJQANCHMSA-N 425.581 2.249 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541115592 BPGLISBZXDKDHO-XWSJACJDSA-N 444.559 2.114 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@H]1NC(=O)OC(C)(C)C 1544451834 YPDVUCBOZULQHU-CXAGYDPISA-N 439.509 2.498 30 10 IEEE CN(C)CCCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1552867697 UZKGHFNHKLCVBP-LEWJYISDSA-N 440.548 2.237 30 10 IEEE Cc1nc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 1557718980 XIZMDELXBAAYGW-UHFFFAOYSA-N 445.409 2.301 30 10 IEEE C=CC[C@@H](C(=O)OC)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1559668044 NSKCGLXYIODNDY-LBPRGKRZSA-N 437.381 2.325 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)c2ncc(C(=O)OC)s2)s1 1586962460 UFRPNSUJADDMEE-UHFFFAOYSA-N 429.545 2.051 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@]2(O)CCSC2)c1 1587683773 NULDUTKDSOTKCG-JOCHJYFZSA-N 427.574 2.500 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCn2cc(C)cn2)c1 1587692436 DOXDDJDZDFGNRO-HXUWFJFHSA-N 447.543 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC(C)CC1 1588109513 GSDCUSAZVOCPRN-HXUWFJFHSA-N 443.559 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)C(C)C)CC1 1588913567 NDKSGCUOINMHPC-XMMPIXPASA-N 439.560 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2Cn2cccn2)CC1 1588947374 PNZMPSGXDHSGPJ-UHFFFAOYSA-N 431.544 2.099 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(ccnc2O)C1 1595405331 KHYMTULSYBLJME-QGZVFWFLSA-N 442.520 2.436 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 1595477293 SOUQIJODOSNSSV-OAHLLOKOSA-N 427.484 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1595804810 GRTNQKTUBWULHT-UHFFFAOYSA-N 436.582 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC2(CC1)OCc1ccccc12 1595830744 GDMOMELAHRZLTN-UHFFFAOYSA-N 446.573 2.441 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1596421299 ICSXZUXTGHGZSA-LJQANCHMSA-N 438.923 2.472 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1596821553 CZAZAOWFJADBCC-NCOADZHNSA-N 445.568 2.471 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)CN1C(=O)COc3cc(Br)ccc31)C2 1597704898 IPCSOPQSDPVGHX-INIZCTEOSA-N 426.270 2.330 30 10 IEEE C[C@@]1(C#N)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)CCO1 1598178248 LVXTWZGRAKRFQG-DYESRHJHSA-N 445.520 2.496 30 10 IEEE Cc1cn2c(n1)[C@H](Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)[C@H](C)CC#N)CCC2 1612347087 QIRHZFYXOJMRJO-IXDOHACOSA-N 431.566 2.001 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3C[C@H](c4ccccc4)CO3)C2=O)cc1 1617885842 QEWFDIBBUQQPEV-JBACZVJFSA-N 432.480 2.452 30 10 IEEE COc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1619251038 RDRNMPGXDCQNCH-ROUUACIJSA-N 427.505 2.161 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1620351227 YJGIBIMDJRVBQO-DOTOQJQBSA-N 430.459 2.333 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1620622923 GIUZDENQKZUZMB-KRWDZBQOSA-N 434.548 2.097 30 10 IEEE C[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)N1CCN(c2ccccc2)CC1 1624672962 NLLJHPYNHKPBGO-QGZVFWFLSA-N 444.532 2.063 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)O1 1634175338 YZGFCNZQRFLFHM-PCCBWWKXSA-N 439.516 2.063 30 10 IEEE COC(=O)[C@H](NC(=O)COc1cccc(Br)c1C#N)c1ccc(OC)c(O)c1 1634459176 IEOGKHCKKZFTOK-GOSISDBHSA-N 449.257 2.444 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1635743326 FPZVVASCQBZFHT-LJHODMEESA-N 447.557 2.474 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(Br)ccc1=O 1637791904 FAUBOYQBSCJGHV-AWEZNQCLSA-N 426.311 2.034 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCCCCC1 1639822164 UMTJQXBAAKCELY-CSODHUTKSA-N 439.578 2.247 30 10 IEEE COc1ccc(-c2cc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)on2)cc1 1641115669 DSXTUNWVWGCKIA-UHFFFAOYSA-N 425.466 2.453 30 10 IEEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCc3ccc(C)c(C#N)c3)ccc21 1641848412 ULALGMUSXYXZEN-UHFFFAOYSA-N 434.500 2.453 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)C3CCN(C[C@H](O)CC4(C#N)CCOCC4)CC3)cc2NC1=O 1644837619 NGFUSGSTCXMPKY-QFBILLFUSA-N 441.528 2.372 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)c1 1651799159 GGNGAHLABDRACB-IBGZPJMESA-N 430.873 2.498 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 1654967017 PTCKBDHFLKHTQZ-OAQYLSRUSA-N 448.585 2.380 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 1658787605 DUOHGOKGYVDNHO-UHFFFAOYSA-N 440.285 2.053 30 10 IEEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1677638523 GDBUBKANSJXZOY-SFHVURJKSA-N 429.517 2.221 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CCc2cnccn2)CC1)c1ccc(Br)cc1 1682356612 JXUVTTGJGHFEKZ-LJQANCHMSA-N 428.334 2.483 30 10 IEEE CC1(C)Cc2c(Br)cccc2[C@@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1686608833 AYNDMPOAYWVFDB-HNNXBMFYSA-N 446.305 2.206 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC(F)(F)CO1 1690097832 PKPFEKCMSPWPEX-INIZCTEOSA-N 436.459 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(F)c(F)c2F)CC1 1690154590 TUXGCRWRWSTCRF-UHFFFAOYSA-N 449.477 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1690206014 FDEPCUZAXPTBQY-OXJNMPFZSA-N 433.603 2.488 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690340915 AUYADRFVFAFCQK-AWEZNQCLSA-N 435.916 2.218 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(C)c2)CC1 1690367222 GRVXJQGNKYDJSX-UHFFFAOYSA-N 441.561 2.134 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CCN(CC)CC2)CC1 1690397162 XBHBILOYSDPDOL-QGZVFWFLSA-N 438.642 2.413 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1690674330 XFYLACHIPQEURI-UHFFFAOYSA-N 442.589 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)C[C@H]1CCCOC1 1690717793 QZOHWCMXBYMPGF-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1695031281 GQUCPAPMGMGBEF-DLBZAZTESA-N 426.521 2.428 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705517020 NMOSCUZSZURMTH-QZTJIDSGSA-N 430.578 2.101 30 10 IEEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705524618 PTAXYZRUKIAQRC-YJBOKZPZSA-N 431.924 2.436 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705527403 XFSBRHUOACFHDO-JTSKRJEESA-N 444.557 2.146 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705569631 FJKFGLNDQMWYQO-AWEZNQCLSA-N 442.463 2.256 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCCC1 1705574955 UCAOSYYYZVSGDE-XMMPIXPASA-N 441.576 2.184 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCC1 1705581007 UUMQHIMGTQNKKV-UHFFFAOYSA-N 443.555 2.234 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)CCCS(C)(=O)=O 1705684922 HFRBPFOZQSPEMV-UHFFFAOYSA-N 428.356 2.428 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1705689463 NFMRKHWFZQAKAD-UHFFFAOYSA-N 441.337 2.289 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705733845 ZWUHXGBSDKFKRN-UHFFFAOYSA-N 433.578 2.398 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(S(C)(=O)=O)cc1 1705883710 RXGMUIOJMNECFP-UHFFFAOYSA-N 427.530 2.431 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)COCCO2)C1 1705929559 SSVLHVTYACQIBG-MBSDFSHPSA-N 444.532 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](CC)C1 1705938413 XQJORORFLIODCS-SFHVURJKSA-N 434.562 2.382 30 10 IEEE CCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1708879096 GHIYJSHMGAOMRE-KRWDZBQOSA-N 444.561 2.114 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCC(C)C)CCOC1 1710479585 IPIVXVAAQRYIQU-KNQAVFIVSA-N 448.637 2.496 30 10 IEEE CCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1710532605 ORNNOIFSHRFOFY-OFNKIYASSA-N 441.532 2.494 30 10 IEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C(C)(C)C 1711549911 AJOVKURBPKGRBJ-LJQANCHMSA-N 440.548 2.349 30 10 IEEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1712369080 WWIKTVUKZVAWMN-LJQANCHMSA-N 437.548 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1722294638 QESKVWSJMCQXDT-MFEFFIJZSA-N 444.580 2.329 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722346248 NKULLSABEXJCKO-HNNXBMFYSA-N 446.349 2.272 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722372045 OINDTNRZMNIBCY-HXUWFJFHSA-N 428.558 2.074 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCOCC1 1722383063 HAKWTWUMGVJIOF-UHFFFAOYSA-N 440.551 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1722443656 LUQQSJAOBSGTSX-XMMPIXPASA-N 432.528 2.352 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1722445056 KFARJZWOSLWSLV-NRFANRHFSA-N 449.603 2.426 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)NC)CC1 1722561063 NDPOGRFXEIKPDF-UHFFFAOYSA-N 440.367 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1722698327 YPGDZQQMWCOVCN-UHFFFAOYSA-N 449.534 2.494 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722861073 BCKQAEVOKSITMH-MRXNPFEDSA-N 438.536 2.252 30 10 IEEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1723899711 KWQBJOPRFOMVEC-OAQYLSRUSA-N 430.459 2.490 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)C1 1730807022 RZJGQPZCVGLNJR-IRXDYDNUSA-N 428.537 2.357 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1730917589 ADUYZDKTNMZATM-MBSDFSHPSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740552888 YJQMYGNSXPANDH-DOTOQJQBSA-N 428.537 2.254 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCN(C(C)=O)CC1 1740600658 MWIBMIOWPNSVOX-FQEVSTJZSA-N 438.576 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN(C)Cc1ccc(F)cc1 1740644771 SVYSNMWIRBHQOV-UHFFFAOYSA-N 436.535 2.248 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1740884909 QINOAGYKEODYRW-IRXDYDNUSA-N 448.593 2.445 30 10 IEEE C#CCCCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1748764108 HXWUTRYVKBWIIB-LJQANCHMSA-N 429.487 2.418 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1748820389 AVNJTZUCIGWPFV-QGZVFWFLSA-N 431.587 2.023 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)cc2c1 1748962212 CHOKVMSBSSRGAE-GOSISDBHSA-N 441.557 2.104 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)CC1 1749107117 QCKDCCPPUIDTMG-UHFFFAOYSA-N 441.355 2.431 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC(N)=O 1749213218 HNMGYZONCZUTEY-GFCCVEGCSA-N 425.331 2.329 30 10 IEEE C=C(Cl)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1749281527 FUYHYLGVIQHPOV-VKJFTORMSA-N 434.990 2.329 30 10 IEEE C=C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1749298693 GGMBOXUYZXQLLZ-FQEVSTJZSA-N 425.581 2.383 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC1CC1 1749532201 USELVNVNRZOCIV-UHFFFAOYSA-N 430.516 2.269 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(N)=O)CC1 1749658268 MIKPTSXBOYSHAQ-UHFFFAOYSA-N 434.903 2.132 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1749663521 IVDYTHQGVCJFKK-UHFFFAOYSA-N 432.532 2.499 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(=O)NC)CC1 1749671425 AFMPHBFYCRZJOC-UHFFFAOYSA-N 444.967 2.177 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCOC1 1749738735 WCZQIXVJBUWZRP-KRWDZBQOSA-N 429.546 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1749739871 LTCLPWDOUJUQJN-UHFFFAOYSA-N 433.509 2.337 30 10 IEEE CC(C)(C)c1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750441997 QHUMRLAEXCQYSC-FMQUCBEESA-N 442.564 2.497 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1760097639 ICLVPFWOGORJNX-KBPBESRZSA-N 438.623 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CC1 1760210731 VWAAKFAZNMSDQO-QGZVFWFLSA-N 443.548 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nncn1CC 1760216911 HJYHFKLUBHQOGO-UHFFFAOYSA-N 425.500 2.253 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(COC)CCOCC2)CC1 1760263239 TVSOLFRCHVBNKO-UHFFFAOYSA-N 429.590 2.129 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc(Br)ccc2OC)CC1 1760263616 IZAJHUDSILWXGQ-UHFFFAOYSA-N 448.365 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1760266673 IGUCGYMCIHJONY-LJQANCHMSA-N 432.528 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccccc2)CC1 1760269200 BJFHSXHMGYMOTA-AZUAARDMSA-N 437.544 2.215 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760359486 PORDYEBKPLQIBS-FQEVSTJZSA-N 432.550 2.257 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@@](=O)CC)C1 1760544851 IIBHPPYHZBIIRI-IWAYBZMOSA-N 442.545 2.144 30 10 IEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)cc1 1760719216 GHFLGCNKULWKEY-VQTJNVASSA-N 441.532 2.299 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1766933153 UYCKJMKWMPDXNA-UHFFFAOYSA-N 442.955 2.418 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1767539265 QIVYHPDASRSUBY-JKSBSHDWSA-N 445.495 2.334 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1767827354 CNBUCDFNUWYIPS-HXUWFJFHSA-N 438.580 2.254 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CC1 1768213893 FYZBIRYZJIUHHY-YCRPNKLZSA-N 431.562 2.237 30 10 IEEE CO[C@]1(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1768239831 OBYJCHXGBDYDIS-FSSWDIPSSA-N 433.553 2.254 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCCO)c1 1770309528 SDYBUPNRQNPMAD-HXUWFJFHSA-N 435.525 2.343 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(-c4ccccn4)n3CCOCCCO)CCO2)c1 1770735171 FFZGFHBQHVDOAP-NRFANRHFSA-N 434.500 2.189 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3F)C2)CC1 1850898766 ONOQZNFFOXFNBU-HXUWFJFHSA-N 435.503 2.474 30 10 IEEE COC(=O)[C@]1(NC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CCOC1 1852608877 MGSZYJUHEGKOMM-RDPSFJRHSA-N 433.464 2.094 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@@H]2C)cc1Cl 1854702860 MFEFKXAQWAJQIW-ZDUSSCGKSA-N 447.900 2.282 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1856262315 INRSUBOOAHQKLC-OAHLLOKOSA-N 445.928 2.343 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)Cc4ccc(F)cc4)C(=O)C3)C2)s1 1856347185 HKCZVOLSSPNYST-SFHVURJKSA-N 426.517 2.247 30 10 IEEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(=O)/C=C/c3ccc[nH]3)cc2)n1 1860730170 APMVAOYOZOICIK-JXMROGBWSA-N 425.470 2.443 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c(OC)c2)c1 1862704877 KRDBINFJKIDCRV-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE C=CCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863606463 DNXZUCCUCAJVOS-UHFFFAOYSA-N 439.537 2.049 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(F)cc1 1874433814 ZDFGZCIGEHZPCH-ODCIPOBUSA-N 433.494 2.123 30 10 IEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCCCCO)ncnc21 1875229087 NZFWLFGDEWUXJC-UHFFFAOYSA-N 429.521 2.171 30 10 IEEE O=C(NCC#CCN1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1890691569 GNOUHQYEDVXSOH-FQEVSTJZSA-N 437.993 2.489 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2010227868 ULJAIZWZYFJAGZ-IKGGRYGDSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCOC1 2010546398 ILLSTXMHSRGACL-XXBNENTESA-N 428.533 2.297 30 10 IEEE C=C[C@]1(CO)COCCN1C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2022249653 IKYOLJGALOPBNO-CVDCTZTESA-N 434.533 2.263 30 10 IEEE CC(C)(C#CC(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 2023914637 OOUQMFURCBXVLZ-DEOSSOPVSA-N 429.561 2.436 30 10 IEEE COc1cc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2[C@H]2COC(C)(C)O2)ccc1C 2033814597 WUUWCHDRLBOBAZ-UKRRQHHQSA-N 431.470 2.417 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCC2)O1 2054380743 JBFXUFXCLFLBHY-CYBMUJFWSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060622702 CUANADAXBBRTQB-CQSZACIVSA-N 432.330 2.361 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1Cc2cccc(C#N)c2C1 2164485923 CSVHAKRNQWOZCJ-OAQYLSRUSA-N 427.457 2.228 30 10 IEEE CC(=O)N[C@@H](CS)C(=O)Nc1ccc(Br)cc1I 2223683761 LIYZIDZZFBOSAR-JTQLQIEISA-N 443.104 2.427 30 10 IEEE C=CCCC1(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2247411839 UHPLHJFEIARLBP-UHFFFAOYSA-N 439.553 2.288 30 10 IEEE C=C(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)B1OC(C)(C)C(C)(C)O1 2248404158 KNBQXWFJTVNWRW-CQSZACIVSA-N 426.319 2.089 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@]12CCCOC2 2255602629 VDSMUJROLBWERY-KSFYIVLOSA-N 434.342 2.296 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644425 AHTFSYUWIZBKKZ-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2256036548 ZIBKIBZFPDQTDK-MRXNPFEDSA-N 433.358 2.298 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256668858 HCFPWKCQFZUXDH-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256681071 GROVQEITOPTBSJ-ZDUSSCGKSA-N 438.305 2.197 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258886774 SRYWQEQHCWROEN-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE Cc1c(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999216 LLALCITYMKEIIG-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267004248 BYLDZMLUMOYYGS-APWZRJJASA-N 438.381 2.421 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2267173039 GCSWSJPODDDRCQ-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE CO[C@@](C)(CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267272142 WWXGIOOCWODTKB-QHCPKHFHSA-N 441.337 2.128 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2267604293 FHKOXCSUMYOLSD-MRXNPFEDSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267805685 MQWQQAQRWFNAQR-ZDUSSCGKSA-N 448.325 2.136 30 10 IEEE Cc1c(C(=O)NCCc2nccn2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282591708 TXEIPNKYRRJCQS-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCc2nccn2Cc2ccccc2)n1 2282593046 LKOFHBLIHDPZSS-UHFFFAOYSA-N 449.364 2.420 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c(OC)c1 2296627150 IORYZZNFUQWADR-FQEVSTJZSA-N 425.485 2.472 30 10 IEEE CC(C)(C)OC(=O)NC[C@](C(=O)O)(C1CC1)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2305243811 HMCPTXOTNQQTNZ-AUSIDOKSSA-N 428.533 2.454 30 10 IEEE CC(=O)NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(O)cc1O 2330742458 QXZDAPSMFNPMTO-UHFFFAOYSA-N 442.457 2.408 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 2337200667 LHMMGAVEIIEAJC-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651526 PBCCPQLYPGYPEM-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE COc1ccc(/C=C2/Oc3cc(OCC(=O)N[C@@H](C)CO)ccc3C2=O)c(OC)c1OC 97527768 KYFJTUQDUHYAFF-PFHXIJNMSA-N 443.452 2.204 30 10 IEEE C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C\C(=O)O)ccc23)CC1 102765594 XPOFJEIXRRHOAE-QEVIJRNUSA-N 426.473 2.067 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 103936583 RVZTVILDZMRJFH-FATJQKJWSA-N 448.501 2.139 30 10 IEEE O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCS/C1=N/Cc1ccccc1 105094279 CCTYAFLGQFBELN-QURGRASLSA-N 445.566 2.453 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc1 238817181 BTCGJUACKWAJEH-GOSISDBHSA-N 428.514 2.277 30 10 IEEE CC(/C=C/c1ccccc1)=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@H](O)COC(C)C 254812648 QLASWBIWAKJUKD-SDZMLFQTSA-N 440.504 2.123 30 10 IEEE NC(=NO)c1cc(Br)cn(Cc2ccc(I)cc2)c1=O 312477824 NFNZFZFGZKQZCG-UHFFFAOYSA-N 448.058 2.358 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCO2)cc1 460927607 JJMPFIPONTXHBQ-MSOLQXFVSA-N 446.577 2.325 30 10 IEEE COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465378637 FILFBQFWYQULPL-AZUAARDMSA-N 447.557 2.463 30 10 IEEE C[C@@H](C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 467072260 BDEKAGKYIDQRDR-HNNXBMFYSA-N 435.454 2.058 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1-c1ccccc1C#N 471191798 TYXCMWWCWRZDCC-UHFFFAOYSA-N 446.532 2.345 30 10 IEEE CC1CCC(NS(=O)(=O)CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1 482609289 SRENRNPLAMKDKU-UHFFFAOYSA-N 432.590 2.159 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 487023959 FGIDQVJHNJRHDK-HUUCEWRRSA-N 446.573 2.169 30 10 IEEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 490289045 RFTINMVEVYWZDP-UHFFFAOYSA-N 434.443 2.349 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(OC)c1 491500426 MNUOPSNUKJRHOU-KRWDZBQOSA-N 431.514 2.111 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1=O 499437655 RIJYGSGFKJZQKR-KBAYOESNSA-N 433.350 2.463 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 503727517 NKZUTRNMUNQOGP-QFIPXVFZSA-N 449.580 2.216 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc(CN4CCOCC4)cc3)C2=O)cc1 503992733 HADNMKHTBZSTGO-QHCPKHFHSA-N 447.539 2.385 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OC(F)F)CC1 508827928 SRGORLCEHRQMQC-KRWDZBQOSA-N 449.458 2.116 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 549209447 OKYLFFPYGXTDAQ-UHFFFAOYSA-N 431.470 2.118 30 10 IEEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(C2CC2)CC1 574167103 KINAXOHZBNPCJV-UHFFFAOYSA-N 449.603 2.097 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 603799671 UORVMAXSAAFDAG-LJQANCHMSA-N 449.507 2.370 30 10 IEEE CC(C)(C)CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 611429046 LWSRTPVZQQCWJF-OAQYLSRUSA-N 443.567 2.115 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 613713766 MIQHWVNIRYSLJE-UHFFFAOYSA-N 432.477 2.135 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 728724257 IIGKGNDTMIXLMA-CYBMUJFWSA-N 436.465 2.120 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(Br)cc1Cl 732454923 FOFNZAIJZDBOJJ-CCEZHUSRSA-N 427.686 2.428 30 10 IEEE Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c1C 732664110 DHPKJKPCMTVBGD-FQEVSTJZSA-N 432.590 2.096 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742213261 FZPZKIDCBOMHJV-IEBWDACRSA-N 444.557 2.498 30 10 IEEE COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1C#N 746888142 YPFKVDBUOSWEDY-LJQANCHMSA-N 437.496 2.291 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1Cl 749935537 PXKYWVVZRRYZIU-GFCCVEGCSA-N 443.909 2.260 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCCN1C(=O)c2ccccc2C1=O 753973336 ALARMXRQSWODBP-UHFFFAOYSA-N 425.466 2.138 30 10 IEEE N#CCN(CC#N)C(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757249289 VXSVYDMTAYHQBD-HXUWFJFHSA-N 432.436 2.244 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)OCc3c(F)c(F)c(C(F)(F)F)c(F)c3F)cnc21 764898178 HEOHBMYFMLQKMT-UHFFFAOYSA-N 438.259 2.449 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccn(C)n2)C1=O 765546607 YREAXYHQQRGEMB-KRWDZBQOSA-N 448.980 2.273 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1cccc(C(=O)NC2CC2)c1 784260964 HGEUUKSJINRVAZ-UHFFFAOYSA-N 429.436 2.432 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(Br)cc2)sc(=Cc2ccoc2)c1=O 788530025 VGDJFGVJYYWLJJ-UHFFFAOYSA-N 439.290 2.284 30 10 IEEE COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c(C)cc1F 794033437 NABNCVKTKZEUEX-GFCCVEGCSA-N 440.474 2.407 30 10 IEEE CCCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)CC(=O)Nc1ccccc1 800706452 DGEIQYQFKIASKN-JHBCHSCWSA-N 427.505 2.352 30 10 IEEE C[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 803849227 YJXQFFOSDFGVTQ-LLVKDONJSA-N 436.877 2.041 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)CC2 804161810 OQXFXYGRPMXHFB-IRXDYDNUSA-N 430.480 2.314 30 10 IEEE Cn1cc([C@@H](O)C[C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2C#N)cn1 805051035 FXQVAWGOBHJCND-BBRMVZONSA-N 439.335 2.331 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 812190572 ZFXQYRIVSXNPEY-INIZCTEOSA-N 436.557 2.125 30 10 IEEE CN1CC[C@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[C@H](c2cnn(C)c2)C1 849516622 JAYGOIZPHHIDKN-UNMCSNQZSA-N 443.555 2.224 30 10 IEEE N#C[C@H]1C(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)=CC(=O)n2c1nc1ccccc12 856550149 YPYLKRAUMXXTIU-OTWHNJEPSA-N 426.480 2.074 30 10 IEEE Cc1ccc2c(c1)C(=O)N(CC(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2=O 924209737 DCLMRCLQJIBBFP-JNJNIUAWSA-N 425.485 2.454 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC2)c1C#N 1128030305 KMZNVJDCZKEZDQ-UHFFFAOYSA-N 433.266 2.233 30 10 IEEE COc1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1S(=O)(=O)N(C)C 1132575488 DYHUDWHNCWUWJF-UHFFFAOYSA-N 439.497 2.314 30 10 IEEE CN(C)c1nccc2c1N(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCC2 1133475052 ASNPQDPFASWRNI-SFHVURJKSA-N 432.484 2.204 30 10 IEEE N#CC1(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CCSCC1 1137573748 FKWNWBRZODAZQR-UHFFFAOYSA-N 438.756 2.269 30 10 IEEE C#Cc1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1 1141042741 CIHVOMLPJVNTFY-LJQANCHMSA-N 432.929 2.171 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 1146246773 FNLCSQNNHWNPPD-OALUTQOASA-N 437.496 2.382 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(Oc4ccnc(C(N)=O)c4)CC3)n[nH]2)c1C 1152752782 JJNJOTKQLGFXEI-UHFFFAOYSA-N 449.515 2.254 30 10 IEEE CCOC(=O)COCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1158411713 LPVWNPNWONKYSA-IBGZPJMESA-N 431.489 2.088 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1175844377 CIOIUGCXWIOOQI-KTKRTIGZSA-N 425.489 2.434 30 10 IEEE COC(=O)C1(CCCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1 1179991262 UJXNCSQVDPBYQS-SFHVURJKSA-N 440.500 2.393 30 10 IEEE N#Cc1ccc(C2(NCC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)CCOCC2)cc1 1196862271 ZYMMKJGPXIUAGJ-UHFFFAOYSA-N 448.932 2.093 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1286299455 VXJBRHKPLLGJJQ-QWRGUYRKSA-N 430.427 2.243 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1286512195 JQBSBWODGLFNGY-YJBOKZPZSA-N 448.511 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CC)CCS(C)(=O)=O 1286556147 ODHSRWBUWWRHME-SQNIBIBYSA-N 426.583 2.024 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1286627208 ATDPIKRCOXYXMY-DOTOQJQBSA-N 428.924 2.471 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286673629 ZOFJJMBIBMUDMD-IBGZPJMESA-N 432.613 2.375 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1286758573 RFIAQMOTRDMOQA-INIZCTEOSA-N 439.582 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCc1cnccn1 1286782854 BATMFAYZFMFFSP-UHFFFAOYSA-N 428.500 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286821487 NAVCHGPJLGDYLA-UHFFFAOYSA-N 441.598 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286822178 ZVUIHCUPPPTQRN-UHFFFAOYSA-N 437.997 2.417 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1286830495 OKDWMZGCNGCWEO-HZPDHXFCSA-N 447.634 2.488 30 10 IEEE C=CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1286834428 DVZMIRQCKHWPEB-KGVIQGDOSA-N 449.621 2.485 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286949121 CPNXYLSEVXNTQG-UHFFFAOYSA-N 444.543 2.373 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1288998192 AYXAJCLSTWTHHV-MRXNPFEDSA-N 430.459 2.489 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1289333621 OAHZMNZNFRLBPF-UHFFFAOYSA-N 434.543 2.131 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cc1C 1289805029 GDSBMFWJZVBGQM-QHCPKHFHSA-N 449.490 2.458 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@@]2(CCOC2)O1 1291278904 DVRNWCNNGCVNAI-GAJHUEQPSA-N 441.532 2.274 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)n1 1297350871 YVVMRBNHERIIMB-ILBGXUMGSA-N 436.556 2.030 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1298070752 OWJPMEPLBDAVNE-HSZRJFAPSA-N 437.548 2.435 30 10 IEEE C#CC[C@H](CO)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 1298688664 AZVVLDNWEGOREB-QGZVFWFLSA-N 437.525 2.321 30 10 IEEE N#CC1(CNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCCC1 1300227548 KGJSQFVISVQFST-UHFFFAOYSA-N 435.546 2.497 30 10 IEEE C#CCCCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300377815 ZHPQFRKSTXTOCK-HSZRJFAPSA-N 429.565 2.182 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488534 DYGIHMGDZFPENE-DJIMGWMZSA-N 430.530 2.170 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)CN(C)C)CC1 1300685453 OIRLDZLZRFSFPY-UHFFFAOYSA-N 448.413 2.379 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300868579 FPOCDLCVTHICIL-NHCUHLMSSA-N 445.589 2.220 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1301412542 CYMFPEMVHFGPLL-JOCHJYFZSA-N 431.537 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301508985 XYTASBYJEFGOCI-SFHVURJKSA-N 444.605 2.221 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1302785704 QRYWGDVQNGUEIW-MOPGFXCFSA-N 426.517 2.047 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(Cl)c1 1303886657 DWWRCJMSXVSHSQ-RYGJVYDSSA-N 432.887 2.232 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@@H](O)c4ccc(C#N)cc4)C3)[C@@H]2C1 1308028464 LWIFMLPUXLVALB-WTGUMLROSA-N 442.516 2.106 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c1 1309607534 XIQQJKDUNFQABN-CALCHBBNSA-N 436.436 2.094 30 10 IEEE CCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC1=O 1355382238 ICWRZYMRQZXBFP-JJXNMMKVSA-N 434.562 2.477 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](CC)C1 1358911349 RJUYDCFVYFNLFI-SFHVURJKSA-N 442.564 2.356 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOCC)CC1 1358929859 JNKSCCVGYZLCIQ-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358962615 TUTCQAYDFZZUMO-HXUWFJFHSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cc(OC)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 1358964094 TXFIJCGOOGFDSH-KRWDZBQOSA-N 439.541 2.072 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnn(CCOC)c1 1358975898 IOGMSRQVZSTEDE-UHFFFAOYSA-N 440.511 2.095 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1359040496 XCGMYNPYYBPWRZ-MBDNFAEBSA-N 445.608 2.353 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359060165 MTJQLDFENAKSKG-QZTJIDSGSA-N 428.514 2.380 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359156924 SZMHFVKDCPWPTQ-UEXGIBASSA-N 439.988 2.230 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359219502 SDUWMUSBLRLYDD-LJQANCHMSA-N 427.553 2.085 30 10 IEEE C=CCN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 1435069042 MTJFNMDIKJNDMN-JSGCOSHPSA-N 427.320 2.077 30 10 IEEE C#CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CCN(C)CC1 1439599366 BJHLRNHMHUIFOH-UHFFFAOYSA-N 427.242 2.369 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CN4CCN(C)CC4)CC3)n[nH]2)c1C 1443403564 BMRUVEMISDFUJR-UHFFFAOYSA-N 425.581 2.176 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1)c1cc[nH]n1 1449985510 SUKXCEOFSWSNEL-LLVKDONJSA-N 432.868 2.443 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)NCCC)CC1 1464132037 XUDXIANEDHRQOK-MRXNPFEDSA-N 430.977 2.129 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(I)cc(C(F)(F)F)c1 1468454846 XXWXOQYJDQFMQJ-SNVBAGLBSA-N 428.148 2.420 30 10 IEEE C=CCN1CCC(NC(=O)N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)CC1 1477806195 ZWRXIGAIQLFAPD-IBGZPJMESA-N 447.584 2.300 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1496226182 HMATUNNKNRIWFH-MRXNPFEDSA-N 437.548 2.084 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)C1 1503677201 FQRPNRWGSYVZRF-KUHUBIRLSA-N 437.331 2.047 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCOCCCO)C[C@H]1c1ccccc1 1505326639 PLRTUEXPYMDABB-IRLDBZIGSA-N 432.528 2.406 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1507582762 JVYXUGPPHFVUFI-UHFFFAOYSA-N 427.459 2.394 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1507713660 SCRFXRKHRMTULL-CVDCTZTESA-N 428.533 2.100 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507755136 BSRVHDVRTHPTEI-NRFANRHFSA-N 446.646 2.301 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507806141 RITIOKJJWZUPAI-ZVDOUQERSA-N 445.589 2.259 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508073695 OTAWYHPHSSYKEZ-MRXNPFEDSA-N 442.951 2.396 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1515392630 DCGSIVNIYPHHKY-SFHVURJKSA-N 440.529 2.483 30 10 IEEE COC1(C(F)(F)Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOCC1 1517873454 YWSOBCRPIGCALF-UHFFFAOYSA-N 447.490 2.011 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3ccccc3Br)CC2=O)cn1 1529753267 JXCOCRZTSYZRHG-CXAGYDPISA-N 446.305 2.026 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C2CC2)n1 1531569257 HERCFKHIXLWNLN-UHFFFAOYSA-N 444.488 2.231 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1538404973 HIRGWQQZFKDLHW-UHFFFAOYSA-N 431.452 2.364 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2ccnc2C)nc1 1539284279 LBPHQGXWSUQINY-UNMCSNQZSA-N 445.527 2.012 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1539299606 KZSJTHIPLOWUIH-HSZRJFAPSA-N 439.491 2.171 30 10 IEEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1539386183 JELNJEMZYFDCNY-QGZVFWFLSA-N 427.844 2.460 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccnc(OC(F)F)c2)CC1 1539445583 AQMDHTVBGJXUGA-UHFFFAOYSA-N 439.470 2.448 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1539459330 DMZCTTBYALBINM-TZIWHRDSSA-N 434.544 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCCO)CC1 1539469614 DIPMNLDOANISPD-UHFFFAOYSA-N 425.533 2.082 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C)cc(C)c2)CC1 1539476771 DVUDLWDSOXYCMP-NRFANRHFSA-N 448.571 2.055 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540913130 OAESTAAIAYOJKW-YLJYHZDGSA-N 443.621 2.181 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCC(=O)NC(C)(C)C)C2 1543090916 BOYCMVRSPMWIQF-UHFFFAOYSA-N 433.520 2.042 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 1545370531 NCVOTUNUFYLYRH-MRXNPFEDSA-N 443.500 2.405 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545467331 HOZFFZVTTYJLLR-WYJFCODTSA-N 428.537 2.323 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1546820718 PVXWLAUCUQLWJE-UHFFFAOYSA-N 437.548 2.228 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1546832268 AOWOUQWSAXRFOC-NYHFZMIOSA-N 444.536 2.088 30 10 IEEE CO[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C(F)(F)F 1554624919 UPCCRDNNBHLVBQ-CABCVRRESA-N 449.499 2.278 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 1557915997 KAXBBASGQRNCFQ-QFIPXVFZSA-N 440.525 2.037 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cc1 1570711585 MQPITASACPGGSP-IBGZPJMESA-N 436.487 2.372 30 10 IEEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](C)CS(=O)(=O)CC 1586205380 VZPHRVKAASMBDE-HRXNXTQESA-N 441.594 2.445 30 10 IEEE COc1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)ccc1C#N 1587323135 WGPUGZZADDXZSA-WBVHZDCISA-N 425.407 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1587574902 MVOGSVFRWKPAIJ-JSGCOSHPSA-N 440.367 2.461 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc(Br)cn1 1587662729 QPWCLVHWKKQLAM-CQSZACIVSA-N 431.342 2.257 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1587904411 GODVDPBFNNMTQF-QGZVFWFLSA-N 429.546 2.041 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588030420 UUHRRVCKOPGUKG-OALUTQOASA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(CC)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588058847 DONNPQNOQYIEBY-CQSZACIVSA-N 425.605 2.106 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C(F)(F)F)CC1 1588733070 LSCLVHAXJCMCFM-UHFFFAOYSA-N 446.477 2.336 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1589068390 BGHJVZPEZDXFCS-FQEVSTJZSA-N 433.622 2.087 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1594788928 VQEIYLRKLDITKZ-KRWDZBQOSA-N 428.449 2.087 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1594803245 PXSXUOPEPGRQHT-LJQANCHMSA-N 425.537 2.287 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](O)c2cc(OC)ccc2OC)cc1 1595032400 VREAVNOIOSFCNB-XOBRGWDASA-N 434.514 2.020 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2nccs2)C1 1595569163 BFCMLBXYCLCTSG-GOSISDBHSA-N 438.557 2.400 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@H]1CS(=O)(=O)C2 1611165561 QCTSYXCWBYTZHE-KSSFIOAISA-N 438.347 2.060 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOCC2(C)C)n1 1612495947 FJDIDOWDWHRLSA-QHCPKHFHSA-N 440.596 2.381 30 10 IEEE Cc1cc(C#N)cnc1C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1618240510 LOCDKXPTVXFKEF-MRXNPFEDSA-N 446.248 2.180 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1619008346 ZEIWMMLGNBFTOO-XXBNENTESA-N 438.532 2.116 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](CNS(C)(=O)=O)C2)n(C2CCCCC2)c1C 1620560813 FFDRXSZZZJMEBA-KRWDZBQOSA-N 435.594 2.291 30 10 IEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)C1=O 1622074465 HFYDARQZNKZORI-DLBZAZTESA-N 427.364 2.355 30 10 IEEE C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1625121117 GCOBZQKAVUXBJN-INIZCTEOSA-N 443.500 2.439 30 10 IEEE C#CCn1cc(CNC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cn1 1626740729 USPPMGJFKUWHDW-UHFFFAOYSA-N 440.437 2.122 30 10 IEEE CN1C(=O)CS/C1=C/C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1627454030 FBBOCPCAPROABI-BFERYNQYSA-N 435.347 2.205 30 10 IEEE CC(C)C[C@@H](CN1CCCC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1628740557 IJWXLNZWFKHMKP-AZUAARDMSA-N 425.533 2.390 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC(S(C)(=O)=O)CC1 1629622937 MQVWRHHIZBGXDV-LJQANCHMSA-N 447.557 2.428 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3ccc(OC)cc3)C2)s1 1634585784 UISHPBCVPUILPB-SFHVURJKSA-N 436.555 2.364 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2cc(Cl)ccc2OC)ccc1F 1636532580 FPLOSBWRPHGUOR-MRXNPFEDSA-N 442.896 2.415 30 10 IEEE C=CC[C@H]1CCN1C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1636893582 ICJXTGKHDWCMSD-AWEZNQCLSA-N 429.336 2.261 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCN(c3cccc(F)c3F)CC2)cc1 1636974989 GTNLSDRCWJRKRF-UHFFFAOYSA-N 433.480 2.490 30 10 IEEE CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1638018935 OGUAVCDFPJTQAJ-IAGOWNOFSA-N 425.570 2.340 30 10 IEEE COC(=O)c1cnc([C@@H]2CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)s1 1641321390 XUAHASILDOTYIV-MRXNPFEDSA-N 447.538 2.122 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cccc(-c2csc(C)n2)c1)c1cc[nH]n1 1641550038 QUXSQYJDAVRLKP-UHFFFAOYSA-N 427.486 2.442 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1641662794 WMIPRCPMSHBQLS-LJQANCHMSA-N 428.533 2.231 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)on1 1647490863 CTMIWQPHPOYMTD-AWEZNQCLSA-N 440.481 2.205 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)C1 1651802162 RMQUJTSUJIMMAA-MRXNPFEDSA-N 425.533 2.104 30 10 IEEE C=CC[S@@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 1653397734 ZPGQEOCZWTYWSM-NDEPHWFRSA-N 435.527 2.163 30 10 IEEE C#CCC1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)CC1 1680677068 XDCFOSYSUVQSDS-UHFFFAOYSA-N 447.601 2.308 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)NCC4(C#N)CCCC4)C3)[C@@H]2C1 1683745420 XLTRWBSQSODLPW-ZACQAIPSSA-N 447.536 2.294 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1689865453 UZYPXMSWKHAWGB-XWTMOSNGSA-N 433.553 2.297 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1689884163 LHNNRMDBVCJFSP-SFHVURJKSA-N 430.578 2.251 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689986028 HIPAFNSPLORMKF-GOSISDBHSA-N 443.573 2.316 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689998718 UQYJPKJCFPFEPS-DOTOQJQBSA-N 449.602 2.018 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1CCOC1=O 1690001836 UBXFXZDJTVZAJA-KRWDZBQOSA-N 425.464 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690023636 AHJWZLHXAQNJKO-UHFFFAOYSA-N 449.555 2.430 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1690063662 LNKAXCMVIHTQAP-UHFFFAOYSA-N 438.557 2.317 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nccnc2C)C1 1690714269 ITIYVIDHBLBCNI-NSHGMRRFSA-N 428.537 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)C[C@@H]1CCCOC1 1690717792 QZOHWCMXBYMPGF-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1690749878 SFEOELWNSQOMNU-UHFFFAOYSA-N 444.605 2.453 30 10 IEEE CC(C)OCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1692617943 ZIIDINUYMAALIL-OFNKIYASSA-N 446.596 2.310 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H]1COCCO1 1697611731 DXKOYLHREQJADL-IERDGZPVSA-N 431.468 2.113 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1697962419 QWLYBQAKNIQHTI-WZONZLPQSA-N 438.532 2.070 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1705559427 ANOZPFSOQFQMKI-KZNAEPCWSA-N 444.557 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC=C 1705599443 ZOLDRDCUROJZSE-HXUWFJFHSA-N 438.553 2.256 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCC2)CC1 1705642924 MNEGGXZFZWIOBA-UHFFFAOYSA-N 426.540 2.237 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705666562 VUCRLCMEEPEHBQ-KRWDZBQOSA-N 443.573 2.289 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@]1(OC)CCOC1 1705868557 SEUVEPPKKLFQFA-OAQYLSRUSA-N 431.562 2.460 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705895496 IPIFOBZSROTIGD-UHFFFAOYSA-N 442.951 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705896117 BWVKGSMULZNZSF-GOSISDBHSA-N 435.532 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CC1)COC(=O)N2 1705903857 WSBWFMYCKXVIRZ-UHFFFAOYSA-N 448.886 2.119 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705913251 IYYTZROSFPXIJH-UHFFFAOYSA-N 447.543 2.274 30 10 IEEE CC(C)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706294419 UFSDMTAEMCFRKA-IDYLYPCZSA-N 428.537 2.323 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CC#N 1711425028 FOUZRFNFALFHIC-MRXNPFEDSA-N 448.593 2.442 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOCC1(C)C 1722285986 ARXPBGRCENSMSK-QGZVFWFLSA-N 425.533 2.285 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(N(C)C)CCOCC1 1722302105 GDIRAEMMMGHIQN-SFHVURJKSA-N 427.549 2.434 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCc3nccn3C2)c1 1722307355 LPGJNPIQSZSTAV-IBGZPJMESA-N 447.543 2.330 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCN(CC)CC1 1722343264 JHNAUQFLUODXAN-HNNXBMFYSA-N 434.386 2.131 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(C)(C)O)CC1 1722433658 DGSXCIIGWRHTJE-UHFFFAOYSA-N 448.365 2.242 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2cc(Cl)cn2)CC1 1722434757 ZEZTXSALYGSTJB-UHFFFAOYSA-N 425.924 2.259 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCOC)CC1 1722443417 IGHRIGSKUOSADS-UHFFFAOYSA-N 447.543 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1722446950 DUKROBFIALWCPI-SFTDATJTSA-N 442.608 2.012 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCCN1CCC[C@@H]1CO 1722478797 YOMGFJSFWBLRCS-SEDAZVQISA-N 445.608 2.231 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1722530836 YXZNJMDJDUXHFA-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1722588138 LGDYBWZYYUKFML-GOSISDBHSA-N 447.609 2.291 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)OCCc2sccc21 1722679821 MTYBBXRFEFYIBN-IERDGZPVSA-N 431.562 2.418 30 10 IEEE CC(C)c1nnc(N2CCC(N3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723163330 QCBSCLYZGTZZBL-XDOYNYLZSA-N 441.580 2.383 30 10 IEEE CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1723254059 BUIUZYJVHQBEGT-OPYAIIAOSA-N 436.626 2.287 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CC2)cc1C 1724437543 DVBAFYBPZLWIKC-PBYQXAPXSA-N 429.546 2.114 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729413887 QKYYCMPKPBPETP-QQMHEVNUSA-N 440.479 2.084 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CC(=O)NCC(F)F)c1 1731182021 JYXAEURBKJZLDQ-KRWDZBQOSA-N 444.486 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CCOCC)CCC2)CC1 1740705579 JMDQIZTWAVRXMJ-HXUWFJFHSA-N 443.592 2.345 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740723182 MALAJHPWWKBUJF-DNVCBOLYSA-N 426.487 2.293 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCCOC)C1 1740804800 FFTOELHAJINHSP-MRXNPFEDSA-N 440.953 2.343 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1740979133 HKJVAFCTQQLMDH-MOPGFXCFSA-N 446.573 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccs1 1740986016 POLLBTJZURUQTK-UHFFFAOYSA-N 446.558 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740992367 GAQIAXOHMNGQEA-SFHVURJKSA-N 433.578 2.116 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C(N)=O)nc1 1741132912 NFRDFIXCWHMKRA-ZDUSSCGKSA-N 425.443 2.285 30 10 IEEE CC(C)(C)c1nnc(N(CCO)Cc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1741161421 XCJITKCJJNPKND-FMQUCBEESA-N 438.532 2.101 30 10 IEEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN1CCCS1(=O)=O 1741177322 TWNICWATRHYVNF-MOPGFXCFSA-N 442.589 2.355 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1741980802 FMZAMWSBOHEWSX-JKSUJKDBSA-N 442.495 2.332 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)s1 1742729573 ULVXWNLRGTXVFJ-AWEZNQCLSA-N 436.545 2.276 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@H](C)O1 1745000059 CMMBWDRARAHBFO-KXBFYZLASA-N 431.500 2.363 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)C[C@@H]1C 1746453458 AXVZUIXRRHNTDI-IBGZPJMESA-N 434.548 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748678721 XOZWGYPBDZFZPR-AUSIDOKSSA-N 430.556 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748839633 ZVESXGDVOIUEEN-LJQANCHMSA-N 427.512 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](OC)C(F)(F)F 1748907548 WNWIVWLSEABYBO-ULQDDVLXSA-N 428.455 2.432 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)no1 1748913552 XFAZNLWSUCJFBB-UHFFFAOYSA-N 427.534 2.351 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](Cc2ccccc2)OC)CC1 1748994479 IXCQPIPCDBIECV-HSZRJFAPSA-N 447.587 2.153 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](COC)OC)CC1 1749288042 KRFNKLZUSYXXRR-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749544829 OSPDDWKUEHVLLO-OAQYLSRUSA-N 434.537 2.112 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)C1 1749711815 CRQMMALVZUAQPB-IEBWSBKVSA-N 434.537 2.343 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760184187 GLWAABKSDMMAPK-GPMSIDNRSA-N 432.521 2.136 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760191335 FRPKYZYXWQEENI-IHPCNDPISA-N 434.606 2.310 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1760205386 AFHNCBSOJPUOHB-FCHUYYIVSA-N 432.572 2.066 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)c(F)c2)CC1 1760257416 WBXYEZZNJLTXAU-HSZRJFAPSA-N 445.514 2.400 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COC)C1 1760312535 AAVHHGUMQJOSRH-LMMKCTJWSA-N 426.521 2.379 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1760321666 IUWDUTNHAFRLNC-YVSFHVDLSA-N 426.608 2.103 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1760522954 IBLXYEXWKUSLGZ-QGZVFWFLSA-N 433.516 2.065 30 10 IEEE CC(C)(C)[C@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1760716704 VXKLYBLSZZPJII-BTYIYWSLSA-N 447.561 2.335 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1760866201 HTJUPYSJNMURPX-NQIIRXRSSA-N 431.562 2.095 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCc2ccco2)n1 1762436177 DORZURAPBCZTAT-UHFFFAOYSA-N 436.520 2.179 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCCN1CCOCC1 1764931989 BULWNAWYLCZTKF-UHFFFAOYSA-N 437.592 2.147 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1765472594 QJDDAPITWDLTFB-VDGAXYAQSA-N 449.559 2.084 30 10 IEEE CCOCc1nnc(N(C)Cc2cc(F)cc(F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1766228802 FVZPXWMJUIJSLT-FMQUCBEESA-N 446.458 2.256 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1766450573 AGYYWAASLITLDN-LJQANCHMSA-N 427.530 2.177 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H](C)C#N)CC1=O 1769876611 BIIZKURHOMKEED-CABCVRRESA-N 431.928 2.084 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)cc1 1770290515 UHKRHLMPGWRDJC-HNNXBMFYSA-N 436.472 2.046 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CC1 1770684569 AJZVFIDQUXFKBE-QGZVFWFLSA-N 440.573 2.301 30 10 IEEE COCCN1CCN(Cc2ccc(C(=O)N=c3[nH]n(-c4ccccc4)cc3C#N)cc2)CC1 1851428100 LOAMQPGRBLZIKU-UHFFFAOYSA-N 444.539 2.182 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCCS(=O)(=O)c2ccccc2)cc1 1851670226 NOKVAMUWYCHTQG-OAQYLSRUSA-N 430.526 2.128 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)C[C@H]2COc3ccccc3O2)cc1 1852771929 BRHNREGFVVLEBI-LEWJYISDSA-N 438.480 2.411 30 10 IEEE C=C[C@@H]1CCCCN1[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1=O 1855405820 YYLBUWZZGBEVHW-XLIONFOSSA-N 434.558 2.417 30 10 IEEE Cc1ccc(OCC(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)cc1 1857224687 NFPMNPOUFAPPCF-INIZCTEOSA-N 427.482 2.243 30 10 IEEE CCn1cc(C(=O)Nc2ccc(C(=O)NCC(=O)Nc3ccccc3C#N)cc2)ccc1=O 1860894230 DTXMXQAZCDVCSP-UHFFFAOYSA-N 443.463 2.361 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccccc2C(=O)O)cc1OC 1862572890 OPZNBJJDDDIIIN-BLVKFPJESA-N 441.436 2.361 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1Cl 1870099591 NJZGFJGQVLWXDZ-UHFFFAOYSA-N 446.832 2.449 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCN(CC)CC 1870576461 CEHXZYMILYOGDV-UHFFFAOYSA-N 432.594 2.207 30 10 IEEE CC(=O)Nc1ccc(-c2nc([C@H](C#N)C(=O)CN3CCN(C(C)=O)CC3)sc2C)cc1 1872798968 AZSPKCANKPIOMH-LJQANCHMSA-N 439.541 2.417 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874354001 MFYDZFMCYUKVDV-UFFVCSGVSA-N 426.458 2.363 30 10 IEEE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C#N)cc5)CC4)ncnc32)cc1 1891081182 YOARDNZXQULLJD-UHFFFAOYSA-N 440.467 2.053 30 10 IEEE C#CCOCC[S@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892238664 XMXUUHIWZCYXTH-UKPGIYTDSA-N 441.505 2.377 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1896417180 NIQWZWZUEFHPSN-RDBSUJKOSA-N 427.498 2.035 30 10 IEEE CN(CCC#N)C(=O)CCN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2006129417 NXOXGLDPMNIQRO-UHFFFAOYSA-N 441.573 2.100 30 10 IEEE C#CCC[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 2009949983 SRSIDCWOKAOPBO-FDDCHVKYSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC(CB4OC(C)(C)C(C)(C)O4)C3)CO[C@H]2C1 2060625499 KXYDSQDBZUYVKZ-ZACQAIPSSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(N)cc2Br)[C@H](C#N)C1 2106651246 MMGAMEXAUWBVAX-GFCCVEGCSA-N 445.339 2.165 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128722654 VNKRJIIKBCJXGN-GOSISDBHSA-N 448.369 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141668950 YJMKVUUBEBTMPL-OAHLLOKOSA-N 447.341 2.203 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2221974837 COYCPYNEAKTUAJ-HDJSIYSDSA-N 432.330 2.265 30 10 IEEE Cn1nc(Br)c(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)n1 2226962094 OUQZCMXQZBWHSV-NSHDSACASA-N 429.319 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H]2COC[C@H]12 2254805584 LZUPCYWLYMWRBR-BRWVUGGUSA-N 431.342 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626862 LHMPVLGDIWZGCA-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255843637 JPVOGFHJCYDZBM-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256620694 LJUGTRWBWLMCPE-OAHLLOKOSA-N 438.330 2.233 30 10 IEEE CC(=CCNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256679222 UTZWCLUORATCTQ-UHFFFAOYSA-N 432.330 2.494 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267089766 HZYFMPOTJMUFDN-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127764 LTTBHEVAPWHGMH-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267137639 SEYVVBNERMFIRD-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2267496340 ABAXFRHSNIXXPS-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@@](C)(O)[C@@H](N)C#Cc1cccc(Br)c1 2278732498 JOLPQLGPQBCILJ-QFBILLFUSA-N 427.339 2.420 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@@H](O)C#Cc1ccc(Br)cc1 2313897967 ILHZBMQAJHJACK-CABCVRRESA-N 432.336 2.099 30 10 IEEE COc1nc(N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503590 PMEYAZCNWAVGQV-RCDICMHDSA-N 431.342 2.493 30 10 IEEE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C2(NCC#CBr)C(=O)O 2324780254 SCJJSFNEUWCWJL-JPZVUWATSA-N 433.368 2.422 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@](C)(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2326109734 VNJBDLDRYFMEAP-AUSIDOKSSA-N 446.548 2.081 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)n1 2337020851 VYDVOQAAPWIOPF-SJLPKXTDSA-N 447.385 2.401 30 10 IEEE CCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 15445403 WVUQWEOHWVUNHP-GOSISDBHSA-N 426.542 2.306 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1 20805955 KXGSTKQPWHZASU-LSHDLFTRSA-N 443.464 2.094 30 10 IEEE N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 56966462 RCOJFDKBZGWQTI-UHFFFAOYSA-N 429.883 2.228 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 62044978 GOWYODATWDKQDE-UHFFFAOYSA-N 435.484 2.447 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 62888652 BXPFQJVWCIFPBM-UHFFFAOYSA-N 445.497 2.444 30 10 IEEE COc1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([N+](=O)[O-])cc1F 463479075 PORXHIBAZFFDJZ-UHFFFAOYSA-N 434.449 2.121 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)CC1 467420736 SYEMUHOKCLQUND-MRXNPFEDSA-N 446.504 2.019 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](c3ccc(F)cc3)c3ccn(C)n3)CC2)c1C#N 472067213 DSQOQXJCLOCKIA-HXUWFJFHSA-N 436.495 2.094 30 10 IEEE Cc1ncc(S(=O)(=O)N(CCO)Cc2cc(Br)ccc2F)cc1C#N 489434489 SUROURFDVVMROZ-UHFFFAOYSA-N 428.283 2.347 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3c3ncccn3)C2=O)cc1 490279751 QYGLEEGOKAZYDL-MLNNCEHLSA-N 444.539 2.403 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 508507423 HWEJVXKDXITZMO-UHFFFAOYSA-N 429.502 2.244 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)s1 514646417 BXDGNJDIQDJDEQ-UHFFFAOYSA-N 427.526 2.436 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCO1 517592245 VDNRFIGDVNXEOG-QGZVFWFLSA-N 443.577 2.466 30 10 IEEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)c1 521498257 FSIADSHTTZKOBF-UHFFFAOYSA-N 440.528 2.169 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@H]2CCCO2)cc1C 521669554 BEWXNNCCTGDGTG-HXUWFJFHSA-N 445.544 2.487 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)cc2C1=O 525468239 PSOUGFFLSALJRA-JTSKRJEESA-N 433.508 2.488 30 10 IEEE COc1cc(Br)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545471533 IWYVHGAZQIYXLE-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3COCCO3)n2CCc2ccccc2)CC1 549566748 GHQGIYGDCWKAKU-OAQYLSRUSA-N 445.527 2.202 30 10 IEEE Cc1ncc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1C#N 567283502 LXCHSLDIOBBKAO-OAQYLSRUSA-N 440.569 2.469 30 10 IEEE COc1ccc(Br)c(C(=O)NCCCNS(=O)(=O)CC2(C#N)CCC2)c1 581278821 XRABVNYOZPMQGW-UHFFFAOYSA-N 444.351 2.191 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 590449610 KHWWIRRHQZSJQZ-UHFFFAOYSA-N 444.364 2.061 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCCO1 590914134 JCNVCNBFGVYREZ-INIZCTEOSA-N 445.972 2.017 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cnc21 609104377 WCNZBDORRNKASU-UHFFFAOYSA-N 432.415 2.358 30 10 IEEE C=CCOCCNC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 679503726 VDMUMOVUSKKEEX-UHFFFAOYSA-N 430.427 2.054 30 10 IEEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730143629 VACBCQRIQMGENO-RTBURBONSA-N 432.590 2.482 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665005 SLDNSPYLGYZPFH-IRLDBZIGSA-N 440.569 2.341 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732702338 UHEBINNVTSBXCJ-INIZCTEOSA-N 434.338 2.468 30 10 IEEE C#CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H]1CCOc2ccc(Br)cc21 733112662 OSBZGERZPYXMQA-CQSZACIVSA-N 434.290 2.065 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)c3ccccc3)n(C3CC3)c2=O)cn1 735068577 JQKSMIRQTFJRQU-MRXNPFEDSA-N 447.564 2.232 30 10 IEEE N#Cc1ccc(CNC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 746536943 BSKWQKXQVRZBDJ-UHFFFAOYSA-N 439.427 2.389 30 10 IEEE COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780934203 IDFYYZOWWWCOGX-SFHVURJKSA-N 446.301 2.299 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134631 PILOSYHAAOTECE-UHFFFAOYSA-N 447.564 2.390 30 10 IEEE C=C[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 781579502 XBDSGWUUNVJPBF-CQSZACIVSA-N 444.937 2.079 30 10 IEEE CCCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 781764619 HNDVNCYKBCLUDS-LJQANCHMSA-N 443.529 2.429 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)n1 788592671 RFXTWKWQKMWZRN-UHFFFAOYSA-N 439.516 2.441 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccsc2)C1 790742726 SDAKYFMLOKKBKL-HUUCEWRRSA-N 435.575 2.152 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccc(C#N)c(F)c1 791280682 OYDALEXKBXIJHT-UHFFFAOYSA-N 434.445 2.084 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 805106808 HWXTUEQSGJRPMI-KRWDZBQOSA-N 431.480 2.482 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccccc2C#N)CC1 806694856 IULKEBHRHWOCMP-SFHVURJKSA-N 444.532 2.490 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1C 810268975 OZZXKWZLHZIZFF-UHFFFAOYSA-N 426.542 2.239 30 10 IEEE C#CCN(c1nnc(CCCc2cccs2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812260668 WJMKQFYIQGTSEK-ROUUACIJSA-N 448.614 2.321 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)CC1 1128333278 LIHNAZZQTRMLFH-UHFFFAOYSA-N 433.295 2.141 30 10 IEEE Cn1nc(I)cc1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1132581276 RJGLIVASRJTZSN-UHFFFAOYSA-N 432.225 2.393 30 10 IEEE CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1155487256 RMEZCIXFECOOTL-RVKKMQEKSA-N 448.545 2.209 30 10 IEEE CSc1nc(O)cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1163578291 QEAXMDJWRROUDZ-BTTAGBNVSA-N 433.534 2.307 30 10 IEEE Cn1ccnc1[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCO1 1212131133 GIDYLNSYCFMHCI-KGLIPLIRSA-N 425.308 2.253 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)CC1 1213514913 KIHGJZHEOFONQA-UHFFFAOYSA-N 449.710 2.488 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]2C[C@H]21 1248376449 YOIUAAANBFADRJ-GUDVDZBRSA-N 439.516 2.062 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)s1 1277265787 LUJRGCUQRCTQML-MRXNPFEDSA-N 437.008 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN(C(C)=O)C1 1286408750 IZQMDPHJKCACEK-GOSISDBHSA-N 425.483 2.478 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1286474232 AREGMPPCTVHMOZ-UYAOXDASSA-N 429.952 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC)cc2)CC1 1286491925 BOKDTKDDQUJINT-HXUWFJFHSA-N 437.544 2.195 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286562292 JVRCSSNQBKHQGL-UGTOYMOASA-N 433.597 2.442 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286608530 RXHSZQZSNIXRBC-AEFFLSMTSA-N 448.593 2.020 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1286792737 GONXSBDJYJLMNM-SFHVURJKSA-N 442.589 2.286 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@@H](C)O1 1291278818 CPSUAILHQAOFTE-FUHIMQAGSA-N 427.505 2.148 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1291290477 AKKYCIOXDUCBHS-GVDBMIGSSA-N 443.552 2.243 30 10 IEEE CCCN1CC[C@H](Cn2c(COCC)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1294667180 SYIQSLACEDXETB-INIZCTEOSA-N 425.537 2.081 30 10 IEEE CCCN1CC[C@@H](Cn2c(COCC)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1294667181 SYIQSLACEDXETB-MRXNPFEDSA-N 425.537 2.081 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCCCC2 1300438236 IMQXICKLELXUGX-UHFFFAOYSA-N 429.326 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N[C@H](C)CC 1300512964 OWJKHDARNHLPGZ-OAHLLOKOSA-N 445.365 2.424 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2c(C)noc2C)CC1 1300706406 LCRWGBMVOHNJLF-MRXNPFEDSA-N 436.564 2.303 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1300983028 CALRWOYZWFCPNH-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCS(=O)(=O)NC)CC1 1301096845 HHLKOHIRCWHNOD-UHFFFAOYSA-N 437.591 2.285 30 10 IEEE CCOC(=O)[C@H](NC(=O)COc1ccc(C#N)cc1OC)[C@@H](O)c1ccc(Cl)cc1 1301199637 CKNUQOZBXYNKRF-UXHICEINSA-N 432.860 2.381 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301241455 QSUXGYUDDDFIAK-OAHLLOKOSA-N 449.353 2.439 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1301258410 RRCGBRUZTFBQFE-IBGZPJMESA-N 445.589 2.100 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301577719 SSUQMTVVMSOFDQ-KRWDZBQOSA-N 444.561 2.250 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CCC2)CCOC1 1303489135 HYTSHBCPOWAIQX-JRPXNJEYSA-N 435.594 2.360 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)Br)CC(=O)N1C 1305149516 CZCWOODIGQCVRS-NSHDSACASA-N 439.264 2.471 30 10 IEEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1305802522 DBAXCTZKSGEHBB-HXUWFJFHSA-N 439.564 2.035 30 10 IEEE CSc1ncc(I)c(N2CCN(c3cc(C#N)ccn3)CC2)n1 1306912329 IDRPMGNNFSEBOO-UHFFFAOYSA-N 438.298 2.396 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(=O)OC)ccc2OCC)c1 1309076402 IDPDJYZYGUDQAP-UHFFFAOYSA-N 430.482 2.112 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OC 1309863221 GNCVOOSZUPPTIB-SNVBAGLBSA-N 440.337 2.473 30 10 IEEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1313452973 MECDQADJYOBNDW-JKSUJKDBSA-N 448.531 2.082 30 10 IEEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1316099584 HJDKOMYDRLXASC-UHFFFAOYSA-N 445.568 2.197 30 10 IEEE Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c2ncccc12 1355743268 DXGATIYUXJNOFZ-MOHJPFBDSA-N 426.502 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCOCC1 1358875303 NCYCYRFUGIVFQM-GJZGRUSLSA-N 435.370 2.462 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)cc1 1358896541 GWONSXVDPJDQBQ-LJQANCHMSA-N 433.560 2.483 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358967564 NBKSPHOOWSKVGN-IBGZPJMESA-N 446.573 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN1CCc2ccccc2C1 1359022624 HCLAWUBILKIZTR-UHFFFAOYSA-N 433.560 2.213 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(OCC)c2)CC1 1359028723 CAGUMUKEDBTRKT-UHFFFAOYSA-N 445.527 2.128 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)C)CC1 1359036736 HEGNHXWXSPSZDW-UHFFFAOYSA-N 428.968 2.050 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)C(C)C 1359264449 GDPNDOMYEHAXEC-UXHICEINSA-N 443.596 2.052 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359271830 FFPIKAXYUBQICN-LQWHRVPQSA-N 436.578 2.087 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1359374489 FGFHDDVRKSYORS-GOSISDBHSA-N 430.459 2.300 30 10 IEEE N#Cc1n[nH]cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1438019267 ADNWMNPBEDTFOQ-SECBINFHSA-N 444.336 2.145 30 10 IEEE COc1cc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)ccc1C#N 1449086538 NEIYPAFSJNLJRJ-MDNXKNQGSA-N 435.402 2.169 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1454282212 LATYAHPGZOAFAK-IAGOWNOFSA-N 440.363 2.372 30 10 IEEE Cc1nnc(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)s1 1456021248 TXHPXYUHWYGDRB-UHFFFAOYSA-N 447.362 2.266 30 10 IEEE COC[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCOCC1 1460408224 IDZOGGAQHKJHLN-GHTZIAJQSA-N 444.576 2.387 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)C(=O)OC(C)(C)C 1464540504 FMPFODICNBCVKF-UHFFFAOYSA-N 443.544 2.169 30 10 IEEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(C#N)c(F)c2)cc1Cl 1465899882 GZMZLAAQDQRIFI-UHFFFAOYSA-N 431.855 2.490 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)cc21 1467380475 MRHOJFZDPJTJFE-UHFFFAOYSA-N 438.532 2.190 30 10 IEEE CN1C(=O)[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)Cc2ccccc21 1470021687 ZUIMZICDFHQYLP-KRWDZBQOSA-N 439.313 2.461 30 10 IEEE CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1473633222 MHNMMWPJZUMQSO-IRXDYDNUSA-N 428.430 2.424 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1501431814 HGIICWVPHCODSE-HXUWFJFHSA-N 440.548 2.458 30 10 IEEE COC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1504554270 ALAARCLOTGDJBI-YLJYHZDGSA-N 438.532 2.246 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1504753099 DGIMTEFZOCREOU-NHCUHLMSSA-N 433.484 2.192 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1507569781 JRZGVIAFWNUFDQ-UHFFFAOYSA-N 428.562 2.178 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507633748 GSSXSMFZCLMAGA-LJQANCHMSA-N 439.516 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)C(C)(C)C 1507644501 JISQQCWFUFFETM-UHFFFAOYSA-N 444.557 2.248 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C(C)C)N1CCOCC1 1507692534 WTAHOYIGRLYNJT-NRFANRHFSA-N 435.576 2.333 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CC1 1507724757 WSGLKNGOAXVCLM-OAQYLSRUSA-N 443.979 2.473 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1508090936 QFVFZSHCIDHDGQ-DLBZAZTESA-N 445.568 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCOCC2)C1 1508118727 WWIUOFMDPVCNEB-GOSISDBHSA-N 444.532 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CC=CCC1 1508129933 FCHUFVZACKVVPK-KRWDZBQOSA-N 444.561 2.319 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1518894903 DCWLFGHJYOGTBW-UWJYYQICSA-N 429.546 2.069 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3c(F)cccc3-n3cccn3)C2=O)cc1 1521718511 NYECFXQAKGXQGE-LJQANCHMSA-N 446.442 2.404 30 10 IEEE N#Cc1ccc(OC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c(I)c1 1524633792 BYKHAHAJHYNNAJ-MNOVXSKESA-N 427.116 2.415 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCO[C@H](c4ccncc4)C3)C2=O)cc1 1525988312 WJHDDSNJDGTOFI-SXLOBPIMSA-N 433.468 2.195 30 10 IEEE C#CC[C@]1(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CCCN1C(=O)OC(C)(C)C 1528352642 YXRKUINNXHATCG-LJQANCHMSA-N 439.559 2.346 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1535347490 UQEDLIXBTRDTRI-WFASDCNBSA-N 432.336 2.483 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1535432981 KKYFWTSFGPWVJZ-UHFFFAOYSA-N 438.303 2.450 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539202741 KSDIKZVYIHPGFF-LNLFQRSKSA-N 449.621 2.259 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1Cc1ncnn1C(C)(C)C 1539417655 OQJAIPKFNLHPOS-UHFFFAOYSA-N 437.548 2.358 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[S@@](=O)CC)CC1 1539434556 MZSVQRXZJMSNEN-PMERELPUSA-N 437.516 2.070 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1540033419 HZRZOWURWVGELI-UHFFFAOYSA-N 428.566 2.363 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540040331 RVWWLTODPDSJFS-UHFFFAOYSA-N 427.553 2.190 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)on1 1540191179 GHVAWVCGHBFAFP-UHFFFAOYSA-N 431.518 2.332 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc2c1OCCCO2 1540198796 QABGFOWXVUUZAX-QGZVFWFLSA-N 427.505 2.078 30 10 IEEE C=CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1540861411 PRZOYKSCTXARAZ-BZUAXINKSA-N 435.525 2.066 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1540863325 UDSOZDKGBOLKBX-UZUQRXQVSA-N 440.548 2.039 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCOC1 1540865890 VQHSDCMEHMUVGT-NSHDSACASA-N 426.340 2.296 30 10 IEEE C=CCNC(=O)Cn1c(N(C)C2Cc3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1540875601 QZJMHWQJZFXQKD-DEOSSOPVSA-N 439.560 2.225 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1540875793 YCJQAQCIUFHWNU-GOSISDBHSA-N 443.523 2.430 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540902597 MULAIVSGPIWQHF-IAGOWNOFSA-N 426.583 2.372 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 1542813911 JCFCNXDFGINTJL-OAQYLSRUSA-N 428.577 2.357 30 10 IEEE Cc1nnc(N2CC[C@H](C)N(Cc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543213787 GRWAIFIBJMRQBI-CCWVLBSLSA-N 449.559 2.214 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1543390025 FYLYEKKBIVMHJR-UHFFFAOYSA-N 428.518 2.493 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C#N)c1 1548336130 VQMFJXIUDQXKQE-UHFFFAOYSA-N 427.534 2.111 30 10 IEEE COCCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1555458451 MFBCRXHRZSKFCO-UHFFFAOYSA-N 439.564 2.431 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1555808315 XNPPBGFAEHVTFJ-SFHVURJKSA-N 441.916 2.102 30 10 IEEE C=CCN(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1556761009 JWYICYUIWWHJHW-IBGZPJMESA-N 433.574 2.445 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1557428023 BYPCDAPFEFCOQH-UXHICEINSA-N 430.549 2.457 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 1560140375 OJWJQRPQYCXQGI-XXBNENTESA-N 426.517 2.375 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCC4(CCC4)O3)CC2)cc1 1565421807 KKRSGZCEDVYLLT-GOSISDBHSA-N 432.546 2.066 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)s1 1568569003 FAPILLCRYLDHEP-UHFFFAOYSA-N 439.490 2.489 30 10 IEEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1584892109 CQEIEWSORQKWPT-MRXNPFEDSA-N 449.573 2.422 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1587561737 HUJOBDCIDFPWKG-PKOBYXMFSA-N 430.574 2.218 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1588059252 KMXMOLGCXRSKPI-INIZCTEOSA-N 433.578 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCOC[C@@H]1C 1588109586 JGFSSMGHKSVYOZ-KRWDZBQOSA-N 427.936 2.401 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588379005 VZQWFVYZFBBPCR-NRFANRHFSA-N 437.592 2.217 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cc(F)cc(F)c2)CC1 1588752796 WDTIGXMZYIDYIX-QHCPKHFHSA-N 445.514 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(SC)CCN(C)CC2)CC1 1588923907 PVDWQMXIYGCBDF-UHFFFAOYSA-N 444.649 2.339 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1589216112 JWJNKBNTSHZOTB-WOIUINJBSA-N 433.622 2.293 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1593752666 PBCZBOYOLJEWGS-NRFANRHFSA-N 437.548 2.267 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1 1594543463 ARWLCPNLRKBNOD-QXAKKESOSA-N 445.589 2.458 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594704026 QIMHHWHSBPGVRU-INIZCTEOSA-N 449.577 2.399 30 10 IEEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1594767333 SMRYRMPDTLYZAM-QGZVFWFLSA-N 431.562 2.496 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1594803592 YTYFBHIYIPXJLW-UHFFFAOYSA-N 426.500 2.132 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1595466242 HJQFGPWYJVWPTO-CQSZACIVSA-N 433.582 2.243 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2cnn(C)n2)C1 1595688968 QVHLSLHXVCEIAY-LJQANCHMSA-N 438.492 2.396 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCCN(C)C(C)C)C2 1612514909 AJNZTFXJTNKMFW-UHFFFAOYSA-N 449.563 2.379 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCN1CCOCC1 1613569426 IVBDREQGGHSDIG-HSZRJFAPSA-N 445.612 2.439 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@H]1CCCO1 1614024800 UHVXAKPDIMXAJD-LJQANCHMSA-N 425.537 2.019 30 10 IEEE CCc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1614034856 DRJWYUIWYPLCER-KYAFNBKBSA-N 449.559 2.078 30 10 IEEE C=CCn1ncc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc21 1615749720 WMHPNWSHMDNELZ-UHFFFAOYSA-N 446.554 2.486 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2c(CC)nn(C)c2CC)c(C#N)cn1CCOC 1623540409 CJQYBYBXNCIJFC-UHFFFAOYSA-N 430.509 2.363 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)CCC)CC1 1624384967 RZLRHLVKWUVNFP-HNNXBMFYSA-N 437.990 2.343 30 10 IEEE COc1ccc(N2CC[C@@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1 1630618724 FUKFNZOPLGCGHP-HNNXBMFYSA-N 431.489 2.388 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)CC1 1634015826 HIVCRUBPMSFWCI-UHFFFAOYSA-N 425.533 2.058 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)Nc3c[nH]cc(I)c3=O)n2)c1 1634953764 SUYJEXWSMVDWTH-UHFFFAOYSA-N 431.193 2.289 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCc3cncc(C#N)c3)nn2)CC1 1635328658 DVCHXTJTQNCTJR-QGZVFWFLSA-N 425.493 2.437 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(=O)(=O)NC)cc1 1635790072 FIKVPYFUXSHYPJ-MRXNPFEDSA-N 445.969 2.289 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)c3sccc3S(=O)(=O)N3CCSCC3)C2)c1 1641584361 HBGGLIMXYHGJAN-UHFFFAOYSA-N 448.595 2.294 30 10 IEEE N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c1 1646518749 QSIQQDFVLIYJIA-UHFFFAOYSA-N 429.429 2.447 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1647791452 IPIJDGVNTGUGSS-UHFFFAOYSA-N 436.331 2.260 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CCc1ccc(N3CCCS3(=O)=O)cc1)C2 1648293732 RXLCRDNVSXGPND-UHFFFAOYSA-N 430.555 2.259 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)c1 1656030121 ZLRUMSRDDSLSLA-UHFFFAOYSA-N 432.473 2.275 30 10 IEEE C#CCN(CC#CC)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O 1657420336 VPGLRUTXNCVUMQ-SILNSSARSA-N 439.537 2.196 30 10 IEEE C=CCN(C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1657517572 OASDYXRRDDHPCU-LJQANCHMSA-N 435.546 2.145 30 10 IEEE Cc1c(S(=O)(=O)N2CCc3ccc(S(N)(=O)=O)cc32)sc2ccc(C#N)cc12 1667229195 AESIGUZLAJBWFF-UHFFFAOYSA-N 433.536 2.480 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 1668795275 UNTJINWYGBZPSF-UHFFFAOYSA-N 427.523 2.312 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)CCN1C1CC1 1682962733 RDHQQZNPAOCGDW-OAQYLSRUSA-N 433.512 2.099 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC1CCCCC1 1689860639 FBAOHXUUOJROLB-OAHLLOKOSA-N 428.562 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCSC1 1690025086 DOPWIHLYOQZIML-JOCHJYFZSA-N 448.640 2.469 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1nnc2n1CCCCC2 1690105197 WYBYMCAFQNUUFA-UHFFFAOYSA-N 437.523 2.460 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1690131997 COWSMWGSQSPPGZ-LJQANCHMSA-N 431.487 2.345 30 10 IEEE C#CCSCCn1c(N(C)CC2COC(C)(C)OC2)nnc1[C@@]1(OCC)CCOC1 1690185982 JFOTZRZPZVHARZ-OAQYLSRUSA-N 438.594 2.132 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690313047 KDKDLDMYTFLGQW-SFHVURJKSA-N 438.594 2.312 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1690528207 YCBWDEKLVOBRQR-DOTOQJQBSA-N 439.607 2.174 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690752480 JRXZMBRRFBCELN-MANSERQUSA-N 438.594 2.306 30 10 IEEE CC(C)(C)c1nnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)s1 1691051422 DXFRWXSWTVSMNK-AWEZNQCLSA-N 449.606 2.117 30 10 IEEE CCSc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1696534496 HYEWOIVMFWTFIC-IAGOWNOFSA-N 447.586 2.069 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccncc2Cl)CC1 1697013620 YSDOPJBKDPLRAA-UHFFFAOYSA-N 436.907 2.375 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1698297581 AOWKYWPOPLWKCF-UHFFFAOYSA-N 427.530 2.177 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1705550969 CQRQHIUJQOMILG-QGZVFWFLSA-N 432.546 2.095 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1705560720 MVNJASJCLXAOPB-UONOGXRCSA-N 426.493 2.058 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[S@@](=O)C(C)(C)C)CC1 1705647692 IEOWZUQEUIHNAD-WTPASJBYSA-N 449.621 2.033 30 10 IEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705721549 IKLPBABEICUSRB-DLBZAZTESA-N 439.557 2.308 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1705739042 TWKFIODWXMPIOV-IBGZPJMESA-N 425.533 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(CC)n2)C1 1705929265 MURONERSJDWVJU-KRWDZBQOSA-N 430.578 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705931648 WPXWRIZECARLQI-MSOLQXFVSA-N 442.589 2.336 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705938770 IUTLFQZHPVXJPB-UHFFFAOYSA-N 434.610 2.128 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCOC2)C1 1706177550 HWWZXRKIHSVVQD-WNRNVDISSA-N 446.552 2.204 30 10 IEEE CCc1cnc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)s1 1708966821 BVHKGQHVIFWSLB-NVXWUHKLSA-N 445.593 2.246 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](COC)C1 1710897527 FAUOUACXANKFRD-GOSISDBHSA-N 446.577 2.009 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1712529989 FFFLQMYKSKPQPX-HRAATJIYSA-N 436.532 2.093 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(F)(F)C1 1712912732 GMLPLUBVYVQXSO-VHEBQXMUSA-N 446.433 2.380 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722288554 BTSKDBPZZOCBNR-IBGZPJMESA-N 429.528 2.147 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CSCCS1 1722292987 KULNGDGGIMKWHH-GJZGRUSLSA-N 440.598 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2ccc(C(N)=O)nc2)c1 1722307475 ONQDJPVPZUFKIF-UHFFFAOYSA-N 445.527 2.075 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722339936 HHWRLCPDEAXBSU-KRWDZBQOSA-N 449.552 2.175 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1nc(C)c(C)s1 1722426457 CBYRTMRHJYBNER-UHFFFAOYSA-N 444.586 2.477 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1722457868 QFBBWSMSOLULEK-UHFFFAOYSA-N 427.500 2.119 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722527677 QPJFVZRAIJOKOD-QHCPKHFHSA-N 427.549 2.415 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722531093 HAEGXZJSPNBCQE-SFHVURJKSA-N 447.547 2.253 30 10 IEEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1722648287 LVZZGHLMXNAENK-XDOYNYLZSA-N 429.484 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C2CCCCC2)nnc1[C@@]1(OCC)CCOC1 1722731189 GFYONEXDUXRPOV-HXUWFJFHSA-N 426.583 2.300 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1722870290 QZYXEXUPKHMYFC-OAHLLOKOSA-N 444.586 2.416 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1729415141 HSOFHZHYABLJJW-IBGZPJMESA-N 435.532 2.018 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1730401252 GGPTWVXSWBKKLL-CTNGQTDRSA-N 433.516 2.337 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1730798902 HQFYKIULHLDERH-NRFANRHFSA-N 438.532 2.190 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740586337 XGIZYYZYPZKQML-UHFFFAOYSA-N 443.555 2.192 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740675156 HTHBRUCPAXIZSD-UHFFFAOYSA-N 448.614 2.278 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1740738238 FEDOPXGANHKOKV-HTVCTNPSSA-N 430.372 2.032 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740952041 SRQZUIQIJDQHOX-MRXNPFEDSA-N 431.610 2.435 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1740959695 CRMGTYSKKLJZBT-DLBZAZTESA-N 430.578 2.029 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1 1740969199 LKGCGXJZJSHAMY-IEBWSBKVSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1740991226 RCZAJCQWAGMXSK-OAQYLSRUSA-N 434.537 2.383 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1741798047 DOSIMCUZKMFRHY-SJORKVTESA-N 446.577 2.360 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@@H]2CCOC2)cn1 1748682018 PBBVQXFIWUSACS-DOTOQJQBSA-N 425.562 2.492 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1748740935 VTHYHVDIRPGMTD-GOSISDBHSA-N 442.541 2.002 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@H](O)C2)CC1 1748978326 KDHUEJAWMROGSC-RDJZCZTQSA-N 447.381 2.342 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1749383484 YCAVYEJVJGIAIG-SFHVURJKSA-N 426.546 2.273 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1749650971 KWQPSXYSDCIXPY-GOSISDBHSA-N 447.499 2.275 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1749705197 GPLNEORTOJMKLM-RBBKRZOGSA-N 439.608 2.395 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1749707438 DWLIPAROAVKSQH-UXHICEINSA-N 425.533 2.361 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1749755208 XDMNFDSLXJJMQI-GOSISDBHSA-N 446.621 2.377 30 10 IEEE C[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)Cc1ccccc1 1751110058 ADZJRDQQLVBDGI-RXVVDRJESA-N 434.548 2.318 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ncccc2F)n1 1751844785 BUSTZQMJZIMCLB-FQEVSTJZSA-N 428.447 2.195 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@@]2(CCOC2)O1 1752321746 RIMKESISPFPYIC-HTAPYJJXSA-N 443.573 2.317 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1760152861 AYXYRSMMOBPMHB-LJQANCHMSA-N 425.508 2.356 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1760165488 ULDJJYQICHSWCH-XTQSDGFTSA-N 441.495 2.398 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760174529 NERODAJVMURIGB-OALUTQOASA-N 439.514 2.424 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760192166 RLTXJKFCVYWNBP-GBESFXJTSA-N 428.558 2.182 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccco1)N(C)C 1760206506 BOGPMZFZHDHNBX-QGZVFWFLSA-N 436.541 2.238 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ncccc2C)n1 1760251460 AYWLFPXYJYZCJY-FQEVSTJZSA-N 449.559 2.407 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760406818 MPEPVFULDUGOQN-IRXDYDNUSA-N 449.625 2.293 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](COC)C1 1760516827 WIOPSVRXIGOTKR-CRAIPNDOSA-N 449.939 2.225 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1760523111 MNDFEEFIMBVPJA-QGZVFWFLSA-N 435.532 2.231 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760526533 BHKRMZVHVWQAEA-HXUWFJFHSA-N 432.528 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1760553207 OFGFUNOESLJUAA-LJQANCHMSA-N 447.605 2.011 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CCCO1 1760690742 FQGWKNAPQZIINM-MGPUTAFESA-N 431.566 2.403 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760944999 IKJBTRFBAWTKCA-BSBNDGSWSA-N 436.520 2.134 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1Cl 1761510319 GXOJJORYJUMPGC-XPGWFJOJSA-N 432.887 2.232 30 10 IEEE CC1(C)CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1761556785 SAOGXMCRMDFUBJ-QZQOTICOSA-N 435.532 2.417 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1762975853 BMPTYLSVIYQSIR-MEUCICPISA-N 436.520 2.134 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(C(C)(C)O)c1 1763112007 CCGBZXFOGUWWKI-QGZVFWFLSA-N 446.559 2.493 30 10 IEEE CCN(CC1CCC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1765150934 ADRHRYVRMTZFTH-QURGRASLSA-N 435.532 2.417 30 10 IEEE Cn1nncc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1769088857 HCGVTMNYGGLRNE-CQSZACIVSA-N 449.302 2.069 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1769242757 WZZOKBORUPJMSI-GOSISDBHSA-N 437.504 2.101 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)N1CCC(OC)CC1 1770177444 PZNSITWNANQVMQ-BJLQDIEVSA-N 448.612 2.487 30 10 IEEE O=C(c1cc(I)ccn1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851295893 WTEZVIUIJXJJLS-UHFFFAOYSA-N 447.176 2.170 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)Nc3nc(N4CCN(Cc5ccccc5)CC4)n[nH]3)cnc21 1851586692 OXCNYDKHTMAVOE-UHFFFAOYSA-N 441.499 2.138 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1F 1851771678 PYGIKLHDEDAFOQ-UHFFFAOYSA-N 444.419 2.206 30 10 IEEE N#Cc1cnc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)c(Br)c1 1852275357 ROBPVXJFSCCRFK-UHFFFAOYSA-N 429.230 2.155 30 10 IEEE N#Cc1ccc(C(=O)CO[C@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)cc1 1852800265 JTBYZTYHTRMGEM-OAQYLSRUSA-N 440.521 2.364 30 10 IEEE CC(C)[C@H](Cc1ccccc1Br)C(=O)O[C@H]1CON(S(=O)(=O)CC#N)C1 1853893274 UGZKXCXBVAMAEQ-CABCVRRESA-N 445.335 2.276 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1C 1855629762 NPNZJXXCEIYBBQ-KRWDZBQOSA-N 433.530 2.083 30 10 IEEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H](F)CC(F)(F)F 1856904204 AKVIRMITQDJEFS-CYBMUJFWSA-N 435.399 2.317 30 10 IEEE C=CCNC(=O)[C@H](CCCC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861594285 SSFFZDBCPXBXKM-OALUTQOASA-N 445.560 2.072 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccccc2F)CC1 1866866383 GRTXSNFSJLMSTH-ZWKOTPCHSA-N 430.505 2.280 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 1868797559 HQBZDANENJKXDF-INIZCTEOSA-N 440.587 2.151 30 10 IEEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(OCC)c(OC)c1 1874471347 ZLXYXGGCHGXIQR-LPYMAVHISA-N 435.550 2.375 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(Br)c3)CC2)CC1 1891049564 OOJCZXMXTDHVJM-UHFFFAOYSA-N 449.393 2.106 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)NCC#CCN(C)C 1891768064 ADKHYKZDLZWMIB-INIZCTEOSA-N 449.960 2.480 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)C1 2020887524 YYBSIFYDDROVPI-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659215 JXQQCCQBUABFAN-GOEBONIOSA-N 433.314 2.002 30 10 IEEE C#CCC[C@H](NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O 2102887431 TXDRAKJIARQYFS-LURJTMIESA-N 431.127 2.418 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435591 TXFYGZUDIBLSRB-HNNXBMFYSA-N 430.376 2.350 30 10 IEEE CC(C)(/C=C/C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248485921 JYGLDXKJDGPZIG-ZHACJKMWSA-N 438.359 2.057 30 10 IEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255633350 ZNJYRQMOLSOGQP-NRFANRHFSA-N 436.362 2.474 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CC(=O)NC)Cc1ccccc1 2255677583 BRHZOUWTKGBIIS-UHFFFAOYSA-N 425.338 2.196 30 10 IEEE Cc1nn(C)c(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255822374 MECIXAHOXLWSRB-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC 2255837009 IJBJJSBPZWSKJN-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256014788 QAGAHJMLIUCJFR-OAHLLOKOSA-N 427.306 2.420 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CC1 2256017741 UKEBJNZZLNWKDV-UHFFFAOYSA-N 432.326 2.479 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256665917 OWEGLUDHRDPHAH-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258958997 KSZGDKBFTRSTTR-IAGOWNOFSA-N 436.358 2.400 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007450 ZCKTUVUWIMRZDV-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCn1cc(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188047 GZUFULKAJHXZID-HUUCEWRRSA-N 448.373 2.093 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267518983 FBHOSLWTUANJGK-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267520641 LZASTZHXJDKQEZ-CQSZACIVSA-N 446.357 2.038 30 10 IEEE C[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2267523845 HQKITYCCJVLKQX-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2268707416 SKFDGXSYNAJPOI-HNNXBMFYSA-N 448.373 2.447 30 10 IEEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271383977 DCPRGKZEBFSNGY-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE C[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2300339839 KKCZILCATZQIKL-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE COc1ccc(-c2nnc(=NN=Cc3cc(OC)c(OC)c([N+](=O)[O-])c3)[nH]c2O)cc1 2323288802 FHULZYLUIUMSRB-UHFFFAOYSA-N 426.389 2.046 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331571079 KEHFVFWMJGBAML-UHFFFAOYSA-N 430.446 2.216 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCc1nc2ccc([N+](=O)[O-])cc2[nH]1 20915177 WXTSJDOMHKFHEA-UFWORHAWSA-N 425.434 2.220 30 10 IEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)ccc1O 21326617 LCCAXYSBSGJVAX-FBCYGCLPSA-N 448.534 2.038 30 10 IEEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2cc(Cl)ccc2c1=O 21832054 RCKKLYTZNMFNLB-LBPRGKRZSA-N 434.949 2.454 30 10 IEEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2)CC1 36211649 FUANTBRBHMSRLP-JOCHJYFZSA-N 449.507 2.368 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)c(OC)c3)n2)cc1 58994961 UBFUQRTZPQBOBE-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)c1 257183884 SOVWOQSCELFYNV-KRWDZBQOSA-N 445.483 2.314 30 10 IEEE Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)o1 442147343 CYOGABHPKHBCPZ-HNAYVOBHSA-N 432.484 3.038 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(OC)c1 461304937 WJUFQXOQSCLWMM-LJQANCHMSA-N 446.467 2.399 30 10 IEEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1c(C)nn(C)c1C 466252708 CXVCXQDVKUIQIN-IBGZPJMESA-N 444.561 2.076 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccc(F)cc1 482552706 INOOIHPXAKVASJ-UHFFFAOYSA-N 438.509 2.001 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N 485613957 OCKIXJVBASARAB-UHFFFAOYSA-N 430.437 2.213 30 10 IEEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 486838577 HBKFARLABIBVEX-GOSISDBHSA-N 437.521 2.206 30 10 IEEE C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1 504554552 KRDVAXPVSCVBMY-MGPUTAFESA-N 443.467 2.221 30 10 IEEE COC(=O)COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 507507759 PDLLNWJKAMEOLQ-UHFFFAOYSA-N 430.482 2.342 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCn2nc3ccccn3c2=O)CC1 512455453 DVRKUJDMORDIFT-SFHVURJKSA-N 441.333 2.141 30 10 IEEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccco3)c2=O)c1 522535294 YKMYBWXLPPCDHI-UHFFFAOYSA-N 436.489 2.381 30 10 IEEE COc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)cc1 526693974 DLDZACUCGFYMTB-UHFFFAOYSA-N 438.509 2.380 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCCCO3)CC2)n1 555467994 VXOQMPJQYLKCHX-NRFANRHFSA-N 444.543 2.426 30 10 IEEE C=CCOc1cc(NCC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)ccc1-n1cnnn1 586270656 YZPBEXFRJMUXCT-CQSZACIVSA-N 434.456 2.266 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2sc(COc3ccc(F)cc3)nc2C)CC1 643611355 CDJOBLLZWQEFQS-UHFFFAOYSA-N 432.521 2.230 30 10 IEEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728425262 MBAKGAKMWFWAHC-GOSISDBHSA-N 446.492 2.136 30 10 IEEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)c(Cl)c1 730141406 JVKUVSUFFSVXTD-HNNXBMFYSA-N 430.933 2.125 30 10 IEEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc([N+](=O)[O-])ccc2Cl)CC1 734750296 PAHYIOWMDVQZQO-UHFFFAOYSA-N 438.897 2.025 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccc(C)cc2C)sc(=Cc2cnn(CCC)c2)c1=O 735069180 MYIZPWUGMRDGDC-UHFFFAOYSA-N 447.564 2.461 30 10 IEEE C=C(C)COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)ccc1OC 747081245 XMOQEKJAABKOGH-SFHVURJKSA-N 437.521 2.079 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)C1 758770847 MNSMIRZVYPFLOM-OKZBNKHCSA-N 427.505 2.018 30 10 IEEE Cc1cc(N2CC[C@H](ON=C(N)c3ccc(CNC(=O)OC(C)(C)C)cc3)C2=O)n(C)n1 769841739 JCDKLHXKEMWDGX-KRWDZBQOSA-N 442.520 2.196 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2=O 778736647 OEYYBDHIJANOCW-AWVSAENJSA-N 438.484 2.098 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)c(F)cc1Cl 794761847 YUZQKXVSCDTMCF-UHFFFAOYSA-N 440.836 2.413 30 10 IEEE COc1ccc(Cl)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCF)c1 797818258 TZZFOLIWHBVEGG-OAHLLOKOSA-N 430.933 2.318 30 10 IEEE N#Cc1c(NC(=O)CN2C(=O)COc3cc(Br)ccc32)ncc2c1COCC2 1130064797 GCNSCOOSRCIMJP-UHFFFAOYSA-N 443.257 2.153 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C)c(C#N)c2)o1 1133575171 PULORFPYHSJXAX-KRWDZBQOSA-N 445.497 2.106 30 10 IEEE N#C[C@]12CN(C(=O)C3(c4cccc(OC(F)(F)F)c4)CCC3)C[C@H]1CS(=O)(=O)C2 1134428833 CLJFXPSTRIGCKI-WMLDXEAASA-N 428.432 2.404 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)CC2)cc1 1135836243 HTEIJBIDTHYGAL-UHFFFAOYSA-N 432.933 2.207 30 10 IEEE COC(=O)Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]c2ccccc12 1149176005 FIXXPUNQZUPFOK-CQSZACIVSA-N 426.473 2.468 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H](O)[C@@H](C)O)nnc1-c1ccc(Cl)cc1Cl 1149551471 OGMQLBSJRARGHO-YGRLFVJLSA-N 431.345 2.388 30 10 IEEE C#CC[C@]1(C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)CCCN1C(=O)OC(C)(C)C 1151878521 DCUOASJVSLXAMA-JOCHJYFZSA-N 449.573 2.046 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC3(CCc4ccccc4O3)CC2)c1 1161661695 DNNIQCYGLOXOOW-UHFFFAOYSA-N 425.510 2.223 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1S(=O)(=O)NCC#N 1167170087 LYBBCDCMJXTXPA-WBVHZDCISA-N 435.546 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1[nH]cnc1CCN2C(=O)[C@@H](O)c1ccc(C#N)cc1 1167473799 QCAITTWJQOIIBW-FDDCHVKYSA-N 437.500 2.236 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)c2cccc(Br)c2)CC1 1171116568 AXXLVOZTHFHBCR-MOPGFXCFSA-N 437.382 2.107 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2)c1ccc(Br)cc1 1211982716 YZFJOUFLZZHENG-MRXNPFEDSA-N 435.299 2.224 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1286392128 HVZXXJQKJYFMSG-IXDOHACOSA-N 442.532 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ncn(C)n1 1286425142 VLOSDASYDHSAPM-UHFFFAOYSA-N 442.296 2.486 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1286446493 GPNOGJWQLALXOE-QGZVFWFLSA-N 445.564 2.427 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286605439 WFHMPDWUYZMIQF-QGZVFWFLSA-N 428.493 2.408 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286702657 PTYVFHXNNJEEEO-UGKGYDQZSA-N 437.592 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1286821910 WTAMJTXOFBEUPZ-UHFFFAOYSA-N 447.605 2.413 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1286958985 CLRCWXRQDAAPMM-CHWSQXEVSA-N 426.493 2.005 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1286975864 CWMHLWISTLSKIY-VTJXTGGHSA-N 431.562 2.236 30 10 IEEE Cc1nc(C)c(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1290378607 QHNULHUPKLLUPN-UZLBHIALSA-N 432.550 2.169 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c1 1292767212 RBNCSIKSVGGTPX-HSZRJFAPSA-N 439.581 2.202 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1297562420 AEUFSSZTEGQXIF-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE C#CC[C@@H](CO)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 1298688663 AZVVLDNWEGOREB-KRWDZBQOSA-N 437.525 2.321 30 10 IEEE CNS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(CCC#N)CC1CC1 1299304989 BVXWPMMHIIHEFE-UHFFFAOYSA-N 427.534 2.106 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1300021377 WQIKTTOZGNLCRG-GOSISDBHSA-N 439.516 2.361 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300401318 RHFIRAMDGMAEGT-UHFFFAOYSA-N 443.555 2.192 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1300556426 BXEUKESIWAZNJH-GOSISDBHSA-N 441.513 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCOC[C@@H]1C 1300590369 AGBOLLKGUVBOOM-NRFANRHFSA-N 435.572 2.256 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(C)s1 1300648374 MYRAILZBXMKMGM-INIZCTEOSA-N 425.493 2.216 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1300710179 VMEQFVHQCWVDBE-QHCPKHFHSA-N 438.601 2.112 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CC)C1 1300743759 ZQNMOAQFSGBOEE-KRWDZBQOSA-N 434.587 2.330 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1300816432 NZQDMGXRWJVIBF-ZQMYSKGWSA-N 426.517 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1301492468 IWBSZWWXOKLULT-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCSCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301608850 ARLHHHBPXJNZHW-FXAWDEMLSA-N 432.638 2.454 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1Cc1ccc(C#N)o1 1302095181 SQFQJFZEWINDOL-IRXDYDNUSA-N 444.536 2.208 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(F)(F)Br)cc1 1302990211 XGXUHYYXNOUCOO-GFCCVEGCSA-N 425.237 2.116 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCO3)n2CCCCCCO)CC1 1303000955 WJQRESUNDQHFIZ-LJQANCHMSA-N 425.537 2.276 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1303674312 LSHAFDBNUSPNLJ-BRWVUGGUSA-N 434.541 2.361 30 10 IEEE COc1ccc(CN2CC[C@@H]2CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1312468776 HEOPMBGBQIJTMP-GGPKGHCWSA-N 443.548 2.328 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1314777982 YXPMJTYYPDHPJE-CYBMUJFWSA-N 432.435 2.178 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccccc1OC 1316205407 FXZKUMHAYJMZEO-FXAWDEMLSA-N 440.548 2.236 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 1323975382 QXHICTNHJYVJHG-HZPDHXFCSA-N 431.566 2.067 30 10 IEEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c2cnn(C)c2n1 1354741998 ZTMCNAORSQESNF-MOHJPFBDSA-N 426.502 2.342 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358960592 IAERJFOHPHMXTP-IBGZPJMESA-N 425.489 2.154 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1358985110 POEVNYXLVLTTQI-QGZVFWFLSA-N 438.557 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1358996164 UQUVKXYFKCQTDW-UHFFFAOYSA-N 433.537 2.179 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](CC)OC)CC1 1359031276 WKBYZSFKAUOZLK-SFHVURJKSA-N 443.548 2.151 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359136562 NGAFNGBKKMANEE-GOSISDBHSA-N 438.525 2.212 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](Cc2ccccc2)OC)CC1 1359159421 VVOCMJQZXMDTID-IEBWSBKVSA-N 433.578 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCOC2)C1 1359330247 LXTHJHBNOJQLQH-NRFANRHFSA-N 432.546 2.171 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2)CC1 1359332262 TZDUPHUXSOWOPS-HXUWFJFHSA-N 445.589 2.447 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCn2ccnn2)CCOC1 1360341141 LEPNFNYUDXOKSS-NHCUHLMSSA-N 428.541 2.131 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1361120560 NARNDWWJQZHKKN-GCJKJVERSA-N 426.496 2.353 30 10 IEEE Cc1cc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)nn1-c1cccc(C#N)c1 1451647937 RUCLFICVEIVTDD-UHFFFAOYSA-N 425.489 2.154 30 10 IEEE COC(=O)[C@H]1CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1456290960 KZILNNRMZSZECT-CGQZWFTASA-N 446.475 2.277 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(O)(c4ncnn4C)CC3)c2C#N)C1 1460750281 FGCRNJCJBFBROW-AWEZNQCLSA-N 428.562 2.185 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 1463883851 GKGMTMZWLUBQEF-IBGZPJMESA-N 444.532 2.203 30 10 IEEE N#Cc1cn(CC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)c(=O)nc1O 1467287967 BVJFENUJEPZJOM-OAHLLOKOSA-N 435.253 2.380 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1469544059 FEWJJSQCRJJVKL-IBGZPJMESA-N 432.528 2.420 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1471557378 APSCRGLBEIZWCJ-UHFFFAOYSA-N 447.532 2.486 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)c(OC)c1OC 1476943959 DZOLKMIZOYOEHF-UHFFFAOYSA-N 439.472 2.277 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C1 1493275174 HCNNIEBFENCKOB-KDURUIRLSA-N 435.576 2.463 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503530283 IVHXXMHLYWRYQY-VGSWGCGISA-N 441.557 2.159 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C1 1505316349 WNGNMBKQQKMTFA-KZULUSFZSA-N 426.349 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)nn(C)c1CC 1507523356 LAYQQAGCPUPXRJ-MRXNPFEDSA-N 444.547 2.285 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1507622376 IGCPYCCZNWXNRQ-GOSISDBHSA-N 440.573 2.207 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1507624622 CMCXSOPYHDUSOJ-IBGZPJMESA-N 429.546 2.000 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cccs1 1507652966 KQKWEISGACIVTN-IBGZPJMESA-N 447.520 2.355 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507712389 FXAGDNBZZCKAFZ-HSALFYBXSA-N 433.597 2.494 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CC)CC1 1507734400 LMUYJDKRYDRHKE-QFIPXVFZSA-N 445.571 2.267 30 10 IEEE C=C(C)Cn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1507836396 JPZHBERTMSLIOH-URXFXBBRSA-N 441.576 2.362 30 10 IEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1507845653 MQWOJFDYKLLCMQ-QGZVFWFLSA-N 437.541 2.016 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1507954391 MSWUOMIGRMIHQR-QZTJIDSGSA-N 445.593 2.042 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507964867 HLNDKBKDMLSXME-UHFFFAOYSA-N 441.580 2.487 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1507977962 BPZMDWSPBGOBTH-SFHVURJKSA-N 435.532 2.248 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1508097246 GRDNYAZVMBWIRT-QWFCFKBJSA-N 430.597 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC2CC2)CC1 1508137030 XNKPLLBCWQJXGX-UHFFFAOYSA-N 429.590 2.386 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1[C@H]1C[C@H]1C 1510190985 FBOAXSRHFJHWOI-VCBZYWHSSA-N 444.561 2.389 30 10 IEEE CC1(C#N)CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)CC1 1510296610 BAOZRPIKOZPXPI-UHFFFAOYSA-N 425.472 2.203 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(Cl)cc1 1519448342 HOQAASXHXZCZDK-SNRMKQJTSA-N 447.923 2.463 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1520401590 MIRKHVWNMPQDSM-UHFFFAOYSA-N 428.562 2.431 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539212164 NELBQFWLHHACPL-NQIIRXRSSA-N 448.976 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)OC(C)(C)C)CC1 1539444863 WNCUMGLCSLBRBB-UHFFFAOYSA-N 425.537 2.010 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1539659500 ZMHHLQAJBWYNHF-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1540171224 XDPSYPYYSDDFEC-QGZVFWFLSA-N 432.546 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCn1cccn1 1540863808 GAGXMEHZXPGXNQ-UHFFFAOYSA-N 444.337 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](COC)C1 1540864423 ZSOYWLYEVDBTAN-CYBMUJFWSA-N 437.342 2.201 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1540880722 ORCSTWZQCGUSMK-WMZOPIPTSA-N 434.562 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1540898367 ILSUZMHOEQOBPW-IAGOWNOFSA-N 441.598 2.317 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(C#N)C1 1552871033 KHKLMCVKZVBFIK-JOCHJYFZSA-N 426.521 2.382 30 10 IEEE COc1c(NC(=O)N(CCC#N)CCN2CCOCC2)cc(Cl)cc1C(=O)N(C)C 1562784090 BGXWVSKSDRUUDE-UHFFFAOYSA-N 437.928 2.130 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1ccc(C(N)=O)nc1 1566367829 VTYALUDDZSQKGE-IBGZPJMESA-N 435.484 2.203 30 10 IEEE N#Cc1cn(CCC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c(=O)nc1O 1587763426 MSIFGVVUYMRWGF-UHFFFAOYSA-N 431.663 2.366 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1587856410 KUNUVPPXDQBCTK-PKOBYXMFSA-N 432.546 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1588200219 HXNBWMXGAPNGTN-HXUWFJFHSA-N 426.542 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCOCC1 1588241398 OLBWAMFVHAPJSA-UHFFFAOYSA-N 426.590 2.208 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)c1ccccc1 1588646016 FWAQSTDQKNBGSJ-ICSRJNTNSA-N 430.574 2.460 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1594491800 LBNZQZKYUVDGJG-GOSISDBHSA-N 427.553 2.450 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1594825306 WYMMCGYEMDNURS-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1)C1CC1 1595051213 VRLXEVLVGBHDNL-MRXNPFEDSA-N 427.505 2.458 30 10 IEEE CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1597706686 HTEZLOAOBJAAGO-UHFFFAOYSA-N 432.292 2.467 30 10 IEEE CC(C)OCCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1611115873 SNAORRLJIYDORN-UHFFFAOYSA-N 435.532 2.324 30 10 IEEE Cc1nnc(N2CCC[C@@H](CN3CCC(C)CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612581443 FCFQLYPNOXAMTN-XQDODVJUSA-N 441.580 2.061 30 10 IEEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)CCO1 1613718120 GTNGXOMEWWVQSB-KNQAVFIVSA-N 429.521 2.395 30 10 IEEE CCCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)o1 1614430179 GTALDOMUAMBUSG-INIZCTEOSA-N 429.525 2.223 30 10 IEEE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1620480985 ZSXUPKOZBHKLFL-WOJBJXKFSA-N 434.968 2.096 30 10 IEEE CN(C)c1nc2c(s1)CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)CC2 1620548707 DXWYXCWXWZHUDL-INIZCTEOSA-N 430.603 2.038 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nc(Cc3ccccc3F)no2)c1 1622549443 GVTRPCNXKKJATK-UHFFFAOYSA-N 430.461 2.194 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3nncnn3)cc2)cc1 1622886400 DVCBABHJZVIJKJ-UHFFFAOYSA-N 439.501 2.062 30 10 IEEE Cc1cc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)on1 1623606393 JDVPDBPKHZBLGA-FRIYVGAWSA-N 443.548 2.414 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1626829924 HIZNVHQPFTVLNF-MJGOQNOKSA-N 444.381 2.298 30 10 IEEE CCOC(=O)[C@]1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCc2ccccc21 1629424103 MLOYISDESZWYNM-NRFANRHFSA-N 430.457 2.258 30 10 IEEE CN1CCN([C@H]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)CC1 1633563133 UTUADBPUAUNLNP-QRVBRYPASA-N 443.979 2.239 30 10 IEEE COCCN(CC#N)C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1638469821 HGQJIXVFPSGIEH-IYBDPMFKSA-N 429.546 2.334 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cc3ccc(C(=O)OC)cc3o2)cc1 1640404620 DOTLPRDPTDQLPD-UHFFFAOYSA-N 440.477 2.103 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCO3)cc1 1641021341 XNBWNYNOSZQEKK-UHFFFAOYSA-N 438.465 2.278 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CC3CC3)[C@@H](C(N)=O)C3CC3)C2)C1 1642970123 NZBWRFDRYZZUCZ-SRXHXZOOSA-N 430.549 2.276 30 10 IEEE N#Cc1cccc(ONC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c1 1643518004 OVGGODCIRDXPRF-MRXNPFEDSA-N 435.889 2.393 30 10 IEEE CNS(=O)(=O)C[C@@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1644036621 WDTATAHVPFHMDX-LSDHHAIUSA-N 438.619 2.477 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649035723 JYRJUAMEVNSGJZ-UHFFFAOYSA-N 446.467 2.055 30 10 IEEE C#CCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649382799 MIJAKZDHKXYUKU-CABCVRRESA-N 431.455 2.305 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 1653782077 NJVRQQZWPBZKPY-PNCHPQGNSA-N 442.564 2.275 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCOC)c1 1655832610 NVBJPWLBJXVOGT-IBGZPJMESA-N 444.532 2.274 30 10 IEEE C#CCOc1ccc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 1678718602 QEBXXZXTSOEOTQ-UHFFFAOYSA-N 433.452 2.059 30 10 IEEE CNC(=O)[C@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)Cc1ccc(F)cc1C 1682263298 NACKWBPTFQLXET-FQEVSTJZSA-N 437.519 2.442 30 10 IEEE CN1CCOC[C@@H]1CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1684582377 QYSMTEMZFORJOO-GUBZILKMSA-N 425.320 2.129 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccc(Br)cc1 1686919990 QKGJWQWVCHQEJL-GOSISDBHSA-N 435.366 2.319 30 10 IEEE C#C[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccc(Br)cc1 1686920415 XGVKJCYPCDUHJC-LBPRGKRZSA-N 427.242 2.400 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1687322543 KIJRLOWBQKAYRU-DLBZAZTESA-N 441.594 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1689826706 SWZHISSYJBVBDL-NWDGAFQWSA-N 445.467 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1689860881 JZFBEZUVLJXBOR-OAHLLOKOSA-N 426.487 2.133 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)cc1 1690092351 FJSYBVLVVFPRDP-UHFFFAOYSA-N 447.499 2.018 30 10 IEEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O)C1CC1 1690547031 SDNQLINUUBEIHI-UHFFFAOYSA-N 437.516 2.337 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)COC)C1 1690691679 JYKKJFKICPWHKT-IBGZPJMESA-N 438.536 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(c2ccnn2C)CC1 1690720603 NKYDCFQXVHZZSK-UHFFFAOYSA-N 441.561 2.058 30 10 IEEE COc1cccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1697544929 YLULSLLAMGGFLL-IAGOWNOFSA-N 447.561 2.254 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)OC 1697758100 VTKMPWRKKDUXEK-UXHICEINSA-N 440.548 2.219 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2ccn(C)n2)c1 1705508550 XUUFCFCYITYDHK-UHFFFAOYSA-N 440.511 2.102 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1705541904 URUWOFDORZEBPM-WBVHZDCISA-N 431.562 2.086 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1705549820 JKJIDMFXVUGCMO-HSZRJFAPSA-N 432.484 2.245 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NCC)c1 1705554371 VGTVQBBFAPVHMD-UHFFFAOYSA-N 427.512 2.384 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705562332 AAHIDRZORKNQIP-RCCFBDPRSA-N 432.546 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2ccnc2)c1 1705587900 NRDPGDWEAWOFEA-UHFFFAOYSA-N 441.539 2.270 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1705627723 OGRUXNMTZSCTFF-CRAIPNDOSA-N 431.924 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCOCC1 1705677324 KOJJYPHBVGTKIT-XMMPIXPASA-N 437.544 2.407 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1705710909 ULDOTUGETAQNQH-KBXCAEBGSA-N 427.596 2.260 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1705842551 QARUZLXMJUALEA-INIZCTEOSA-N 441.598 2.450 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1706074698 CMQXSYJFOQZGCU-LQWHRVPQSA-N 434.610 2.323 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1708337055 GKMBSPMIDRONBZ-QYWGDWMGSA-N 448.593 2.193 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCCC1 1710697624 DRZTZJOXHSMWGJ-UHFFFAOYSA-N 425.537 2.226 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CCO1 1712302781 AMPQUYRGWQAJGU-GIVPXCGWSA-N 441.532 2.395 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C2CCC2)CCO1 1712884060 FUAADVVAQRARGD-SFHVURJKSA-N 426.496 2.043 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722343891 KVGJBBBDXUMVGV-QFIPXVFZSA-N 433.553 2.255 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1722368241 PXKVVRSBXJPERG-OAHLLOKOSA-N 433.603 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722378689 HMKPQZOEKKDIJY-HSZRJFAPSA-N 441.539 2.190 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@H]2CC)CC1 1722447538 JEFRFVRDNSYIME-QRQLOZEOSA-N 426.565 2.021 30 10 IEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(C)(=O)=O 1722632354 PUNWPDXKLBVEAS-UHFFFAOYSA-N 446.346 2.408 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1722681705 QQVRVHNRQHNFIC-SFHVURJKSA-N 434.562 2.184 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCCS1(=O)=O 1722863218 IRWXJIRJPWKEMD-GOSISDBHSA-N 442.589 2.379 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1723644924 WEMUPVWMQWPVNH-UHFFFAOYSA-N 434.342 2.311 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCC(F)(F)C2)cc1 1731184694 HMYIZGTVRYLXQA-MRXNPFEDSA-N 430.459 2.490 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)F)CC1 1731188775 ADIKDNKSMIIMAZ-UHFFFAOYSA-N 443.462 2.333 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1740618916 DDDCLXPKTCKKSE-QGZVFWFLSA-N 430.530 2.314 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccc(F)cc1 1740629247 HALMVLGUNGRCDQ-QHCPKHFHSA-N 432.459 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CCOC 1740637313 XTAYHXXFDDWRAJ-UHFFFAOYSA-N 442.589 2.374 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N(C)C 1740681018 VZVLTJOTPZSYIV-UHFFFAOYSA-N 438.301 2.021 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740746005 BVHFWWBUEMCIKE-HNNXBMFYSA-N 444.399 2.144 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1741001728 CFHRNBREXIIPRY-GOSISDBHSA-N 447.630 2.426 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1748751565 IWCHVFFWGVIACF-PMACEKPBSA-N 439.541 2.043 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1748773187 UDPPECMEKPQBKR-YTQUADARSA-N 431.562 2.126 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(C(C)=O)CC1 1748824976 MWNKSYKGJWEACX-UHFFFAOYSA-N 446.555 2.479 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C)on1 1748948481 OTKTXXFJVMRSAJ-UHFFFAOYSA-N 442.907 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1748984967 XYUSDNYDZYZTFC-HSZRJFAPSA-N 427.549 2.125 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749101442 BWKZMEHILBZVNU-CYBMUJFWSA-N 433.372 2.094 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1749599544 GVWINCLBTNOQMH-NQIIRXRSSA-N 443.548 2.150 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1749613173 HVZQEPXPSYPWGX-JOCHJYFZSA-N 438.488 2.067 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1ccccc1CC 1749663325 AIJLNRKDRFWPLG-UHFFFAOYSA-N 433.516 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749724538 KYWGDOWDCCUXIB-PXNSSMCTSA-N 448.589 2.348 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1751174479 BMMAFPYPDLNXDT-AEFFLSMTSA-N 441.536 2.153 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1752581098 BUNFOGPMMCBREK-AUUYWEPGSA-N 434.504 2.331 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)COC)CC1 1760147710 XGVFJVZCZVNQFC-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)CCC)CC1 1760152388 KSMNRGJZLCQWDI-UHFFFAOYSA-N 426.521 2.304 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1760168322 XJZTUXQXBVKSCD-UHFFFAOYSA-N 439.560 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCn1ccnc1C 1760223500 GKYOEMSVVUCJSZ-UHFFFAOYSA-N 435.557 2.328 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760399090 YQLLXJFCPAESFA-OPAMFIHVSA-N 446.573 2.291 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1760487397 RWFFYAKLHQUALT-RDJZCZTQSA-N 444.561 2.414 30 10 IEEE Cc1ccc([C@]2(O)CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C2)cc1 1761731571 MHUPZGUMFCPGLD-QHCPKHFHSA-N 434.500 2.336 30 10 IEEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)s1 1764573180 FCHZDSFNZQZKPP-UHFFFAOYSA-N 445.574 2.021 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCn1ccnc1C 1766413691 BMYCKOVREPMRFS-UHFFFAOYSA-N 434.548 2.214 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1767626663 QQNXYJFPNPQCMQ-QHCPKHFHSA-N 436.516 2.038 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1cn(C2COC2)nn1 1769862017 QTTIYQDZJIXLQC-CYBMUJFWSA-N 442.911 2.414 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1771344061 BILBWKJIMXQUFP-IBGZPJMESA-N 431.562 2.383 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CCN1S(C)(=O)=O 1771500316 LOFBUGWJTMGSRC-IEZWGBDMSA-N 446.552 2.425 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCCO[C@@H]2CCOC2)cc1 1771534653 JNSYGNWBAHZEMQ-OAQYLSRUSA-N 441.532 2.133 30 10 IEEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1 1851145175 QXQKJYKGYBOZLU-INIZCTEOSA-N 447.499 2.091 30 10 IEEE COC(=O)[C@]1(NC(=O)Cc2cc3c(cc2C#N)OCO3)CCCN(Cc2ccccc2)C1 1852890812 QPLFFQJWAXOZSC-DEOSSOPVSA-N 435.480 2.153 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C1C(=O)CC(C)(C)CC1=O 1854899945 OYQBYWQHBKERGW-CYBMUJFWSA-N 429.904 2.406 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)OCCOCCN1C(=O)c2ccccc2C1=O 1860406383 YJUHAYAHLSEMMV-UHFFFAOYSA-N 439.873 2.367 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(OC)c(O)c2)cc1 1862692238 HTCFWKSQDQCVFJ-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE C#CCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870560840 NMKAOZKUOXQNHR-UHFFFAOYSA-N 427.476 2.322 30 10 IEEE N#CC1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1890482804 DGTHMZXLBOCLCI-LJQANCHMSA-N 438.981 2.235 30 10 IEEE CC[C@H](C#N)S(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994713488 PIAOHHPYSDHAIM-RBUKOAKNSA-N 436.578 2.329 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 2054332358 AZHRUOQCXNGCLK-MRXNPFEDSA-N 439.372 2.327 30 10 IEEE C[C@H]1[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2060624943 DSWBDAFHLBEFHH-DZGCQCFKSA-N 432.330 2.360 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2129059623 IJMYNHOWERFEGM-NHCUHLMSSA-N 436.365 2.256 30 10 IEEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778551 RBAGSHQUHJNOIU-NWDGAFQWSA-N 445.188 2.155 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229107702 NFUXAGISKFCRDQ-ZBFHGGJFSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2232304699 YREMRIFJVCOPMM-QFIPXVFZSA-N 447.341 2.015 30 10 IEEE CCc1nc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247837830 YKTLQPXIFOKSEM-UHFFFAOYSA-N 437.371 2.354 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255626672 IVDMZJZBQDRDBT-KBPBESRZSA-N 434.346 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255845568 JWCWZTZSXZGDOY-XHSDSOJGSA-N 436.358 2.442 30 10 IEEE Cc1ccnc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256401497 CRLVLZOMRWEQFO-KTKRTIGZSA-N 431.342 2.500 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2266748020 NOSCOPFMRMIYBM-LSDHHAIUSA-N 447.341 2.328 30 10 IEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2267007523 XOQRMQOAJNPWEQ-INIZCTEOSA-N 449.357 2.478 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267154237 WEHKHINJQTTZIP-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CN(C(=O)OC(C)(C)C)C1 2267190719 SPAWUEZMWVOAGC-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267496356 AIBCYTVFANPIKM-PKOBYXMFSA-N 438.381 2.453 30 10 IEEE CC(C)[C@@H]1[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267526790 XUURSPIKUAQRPX-DOTOQJQBSA-N 448.373 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268677545 URKFBULRVOCQGJ-JKSUJKDBSA-N 447.341 2.249 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)OC1(C)C 2283066998 DFTDBHAJACXWNJ-DFBJGRDBSA-N 448.376 2.370 30 10 IEEE COC(=O)[C@@H](CS(=O)(=O)Nc1cccc(C)c1C#N)NC(=O)OCc1ccccc1 2286031813 UVPFURXKTHNAMT-GOSISDBHSA-N 431.470 2.076 30 10 IEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1 2297745993 HJVPSICUSZKHHW-LJQANCHMSA-N 444.509 2.005 30 10 IEEE Cc1ccc(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2327805429 DTBMVNWAAOJERF-CQSZACIVSA-N 438.305 2.257 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccn1C 2330749978 TZIOFGBZWDTJAW-UHFFFAOYSA-N 439.545 2.483 30 10 IEEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)NCc1ccccc1 21320135 IAYDJQMHUVGHEG-LSHDLFTRSA-N 431.909 2.205 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)n1 434443221 VTJDVECCJNWMNZ-UHFFFAOYSA-N 435.875 2.970 30 10 IEEE COc1ccc(C(=O)NCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1OC 438603597 BTMCPOKCAQWSKC-UHFFFAOYSA-N 438.484 2.207 30 10 IEEE N#CC1CCC(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 441000853 OBYKEVLTZPIEPL-FAFZWHIHSA-N 434.562 2.273 30 10 IEEE CCO[C@@H]1C[C@@](NS(=O)(=O)c2cc(Br)cc(C#N)c2)(C(=O)OC)C1(C)C 444276317 HCDVSANNCPSLRZ-RHSMWYFYSA-N 445.335 2.346 30 10 IEEE Cc1nn(C)c2ncc(S(=O)(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc12 445703650 AKEPVXANEIBQPU-UHFFFAOYSA-N 426.502 2.212 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c1 447266599 XMAXQGWHDRGCMU-UHFFFAOYSA-N 443.525 2.184 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCCNC(=O)c2cccc(Br)c2)cc1 465799161 SXNWJHURBGORSE-UHFFFAOYSA-N 431.290 2.429 30 10 IEEE COc1ccc(CCC(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 466104346 GGSNIVGFHORJIE-UHFFFAOYSA-N 436.512 2.432 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C 466785738 BGIZHNGVZTVDAV-UTKZUKDTSA-N 430.512 2.456 30 10 IEEE Cc1c(C#N)c(NC(=O)CCN(C)C[C@H]2CCS(=O)(=O)C2)n(Cc2ccco2)c1C 472238064 FTBLXAIUPOORLR-QGZVFWFLSA-N 432.546 2.313 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)cc2)nc1 501848445 RZSWLFUDFPFOSS-UHFFFAOYSA-N 429.436 2.444 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 505729088 IUYPVXFJZTUOLV-XMSQKQJNSA-N 448.951 2.272 30 10 IEEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508669429 IGYVDRWMXVJIOJ-UXHICEINSA-N 436.516 2.187 30 10 IEEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CCN(C2CC2)CC1 508918897 GDGRGBCDCTXRPC-UHFFFAOYSA-N 435.620 2.375 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(CCNC(=O)c4ccccc4F)CC3)CC2)c1 511726909 LSCXRAGPNCNIQB-UHFFFAOYSA-N 438.478 2.442 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 515652671 TYVIGGOOUSSRCT-ZDUSSCGKSA-N 447.538 2.177 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ccc(-n4ccnc4C)cc3)CC2)o1 541954921 AQQGVFLCQGYARN-INIZCTEOSA-N 433.516 2.348 30 10 IEEE CCOc1c(OC)cc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 544836114 HQZUWFJTVRDXEX-UHFFFAOYSA-N 425.489 2.401 30 10 IEEE Cc1noc(C)c1CO[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 546588765 HJZCCZBDVVNSNK-UYAOXDASSA-N 443.573 2.353 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 568588865 NJFMJYSEMSHHJO-UHFFFAOYSA-N 426.538 2.136 30 10 IEEE CCn1c(O)nnc1C1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 590174630 BEUQMKDHNXNOPT-UHFFFAOYSA-N 440.323 2.206 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)CC1 604194806 FEOPHITZKJCEQF-CYBMUJFWSA-N 427.318 2.279 30 10 IEEE CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 609146634 UMOKCIDAVHVJCK-UHFFFAOYSA-N 442.541 2.360 30 10 IEEE Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256020 RXAGRQYWHORBRY-UHFFFAOYSA-N 440.500 2.450 30 10 IEEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670234585 NRWWKLCNPGTHDG-NQIIRXRSSA-N 425.581 2.239 30 10 IEEE COC(=O)c1ccc(N2C(=O)C[C@H](SC(=N)NN=C(C)c3ccc(O)cc3)C2=O)cc1 725422229 SNZKQDRZFCNSKO-KRWDZBQOSA-N 440.481 2.492 30 10 IEEE Cc1cccc(NC(=O)[C@@H]2CCCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C2)n1 725766636 FGEXXMYWKGFDJL-HOYKHHGWSA-N 446.511 2.337 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC(F)F)cc1 727415963 ABMPGSDJWPSNFY-UHFFFAOYSA-N 445.447 2.121 30 10 IEEE C[C@@H](CC(=O)NCc1nc(-c2ccncc2)cs1)/N=C1/NS(=O)(=O)c2ccccc21 742621419 MYCLJKJIUBKOGF-ZDUSSCGKSA-N 441.538 2.339 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(OC(F)F)cc1C 743728573 MFERSUKPIICBKP-INIZCTEOSA-N 431.464 2.334 30 10 IEEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)C[C@@H]3NC(=O)NC3=O)c2C#N)C1 751577674 QXNKWYSAUURSCO-FZMZJTMJSA-N 446.529 2.241 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCN1C1CC1 756697759 TVVJPZYUBJKJHP-QZTJIDSGSA-N 431.334 2.139 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 756896594 QZWZTVDROLKXRE-XIRDDKMYSA-N 432.546 2.157 30 10 IEEE C#CCCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 758647128 AIRYPHBHQJJTBX-LJQANCHMSA-N 425.558 2.361 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)ccc1F 769276325 NIJBIDXGOACFCR-SFHVURJKSA-N 439.553 2.007 30 10 IEEE C=CCn1c(-c2cnccn2)nn(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1=S 771634802 KIFMXOVOIACFCC-QGZVFWFLSA-N 426.550 2.438 30 10 IEEE C#CCN(C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 774016021 DGUQGYGUYLHGRV-QGZVFWFLSA-N 438.981 2.136 30 10 IEEE O=C(CN1CCN(c2ccccn2)CC1)OCCC#Cc1ccc(CN2CCOCC2)cc1 774207071 QFFQEIRMIDPSSI-UHFFFAOYSA-N 448.567 2.021 30 10 IEEE Cc1ccc(NC(=O)CON=C(N)c2ccco2)cc1S(=O)(=O)N1CCCCCC1 789623445 SSNNUPFHSCCDHO-UHFFFAOYSA-N 434.518 2.428 30 10 IEEE Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 799833939 DEKHVCYXOJUFMW-DQRAZIAOSA-N 448.479 2.155 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N1Cc1cnn(C)n1 807928618 BRJOUZVRLXJNTF-AWEZNQCLSA-N 440.451 2.324 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1)C1CC1 814705754 MCNMKUMIISDGMY-OALUTQOASA-N 432.590 2.419 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)ccc1C 916179700 QPOIRWHDOAFSIM-UHFFFAOYSA-N 449.554 2.157 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 916921911 SJGDNWFWQJFDNI-QUCCMNQESA-N 449.507 2.433 30 10 IEEE C[C@@H](CN1CCCC1=O)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700706 RSTOPYWXJRELQV-KSSFIOAISA-N 439.541 2.169 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N 1084018259 KTVOGAXKOCMMLW-AWEZNQCLSA-N 425.518 2.416 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCOc2ccc(Br)cc21 1124650540 LSBPZVISPINKLG-LBPRGKRZSA-N 432.278 2.385 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1130904065 FWRGQYJKOMIJHM-GHTZIAJQSA-N 433.574 2.404 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1CC(CCO)C2 1152788661 LTLQHNYHJBZJJK-JENIJYKNSA-N 433.574 2.436 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN(C)c1ccccn1 1153114134 QTHUHHUNLRWLFB-GOSISDBHSA-N 443.573 2.178 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c1 1162488738 XVYBSYRQTIRBGR-IYBDPMFKSA-N 438.383 2.066 30 10 IEEE Cc1ccc(C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)cc1B1OC(C)(C)C(C)(C)O1 1168386768 XDYAYRNQXPPUCD-SFHVURJKSA-N 435.289 2.427 30 10 IEEE O=C(C1CC2(C1)CS(=O)(=O)C2)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605648 WGGRPLLVMKMOGG-DTORHVGOSA-N 441.340 2.441 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)CC2)cc1 1221502121 AECWDDPMRHAGOL-QHCPKHFHSA-N 447.539 2.499 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1225937229 IIIADIZOLHGWLJ-QSPRXWTASA-N 449.552 2.158 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1286387055 NGFOLEPIVZMUOJ-PXNSSMCTSA-N 446.573 2.251 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccs1 1286439613 TXCVLQSRPVUHOT-UHFFFAOYSA-N 439.570 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2nc(C)c(C)s2)CC1 1286489691 CKHXAKDBRJGEOD-UHFFFAOYSA-N 435.557 2.428 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1286574160 VKAKNQWZELUXRT-UHFFFAOYSA-N 433.582 2.167 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286712908 OGDQBXIEQNYXTK-UHFFFAOYSA-N 433.578 2.334 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1286797302 VEEGLESFVJKJCR-OAQYLSRUSA-N 425.533 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286818445 WTRDYDUHXPKWMX-LSDHHAIUSA-N 437.532 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286818559 YCIYSDUNCKHAHT-UHFFFAOYSA-N 434.488 2.391 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286836631 PLCIBMWDKJFIQW-SIKLNZKXSA-N 446.621 2.414 30 10 IEEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 1288415262 FAUSAMGOUWEXKQ-UHFFFAOYSA-N 444.561 2.028 30 10 IEEE C=CCN(C(=O)CCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1291936962 RDWAVPNPACPLAA-LJQANCHMSA-N 425.982 2.054 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1293849534 CLYACDPNEGJMFU-KRWDZBQOSA-N 437.548 2.038 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OC)cc2OC)CCOC1 1296605339 HPSVKHSPGYJCGH-VXKWHMMOSA-N 445.495 2.438 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C1CC1 1300283556 NMYFZIGZTHIUCU-IAGOWNOFSA-N 444.605 2.136 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300504236 KTFPWKAXJZESDG-GBESFXJTSA-N 428.558 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCCS(C)(=O)=O 1300548170 XWWIAXVYRVOTMP-RTBURBONSA-N 434.606 2.484 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300629998 LMRCHYGWHZSUAY-UHFFFAOYSA-N 444.587 2.309 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@]1(N2CCOCC2)CCSC1 1300922101 ZQQSFVXGNRYTGN-QFIPXVFZSA-N 448.637 2.011 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)CC1 1301063519 BZRYIMOQSBDGBA-UHFFFAOYSA-N 430.534 2.049 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301152137 UVVFSTFKCHOHSQ-MSOLQXFVSA-N 437.610 2.135 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnn(C)n1 1301405589 IPGYFHFMHXLUEM-UHFFFAOYSA-N 425.884 2.393 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1301491250 NCWBCNRGHPJTPB-QGZVFWFLSA-N 439.564 2.019 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301492519 JNYNORDQGOXISO-LPHOPBHVSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC1CCOCC1 1301493460 ZJKWMUYAAWLZPG-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)c(COC)c1 1302097069 JJRCHVZWFPPWEC-MAUKXSAKSA-N 433.484 2.065 30 10 IEEE CSCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1302808458 ALHKQPDVOTUJRE-MRXNPFEDSA-N 435.561 2.470 30 10 IEEE C#Cc1cncc(C(=O)N2CCN([C@](C)(CO)c3ccc(Br)cc3)CC2)c1 1304556124 IZZVHHDSTIEGCA-OAQYLSRUSA-N 428.330 2.491 30 10 IEEE C[C@@]1(C(F)(F)F)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1308016716 HSXNNXWMJYVGFW-MJGOQNOKSA-N 428.430 2.188 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1 1310105836 DBYUPELNLBQGMZ-UHFFFAOYSA-N 446.504 2.022 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C1CCOCC1 1313042879 JRETXQYHIGDVOU-IFMALSPDSA-N 425.577 2.054 30 10 IEEE CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1=O 1313447173 RGZZOCRCFZFUKI-GOSISDBHSA-N 444.511 2.162 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1316102673 ZPUXZRBFBFCOJW-KNKQGSTJSA-N 433.553 2.267 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1316234417 LMYXGKMNMKNOGB-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318048464 KRTOTIIXNYUBEQ-INIZCTEOSA-N 446.463 2.218 30 10 IEEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1344706484 VHOCYFBTGODPRJ-QZNYNHHHSA-N 446.511 2.434 30 10 IEEE N#CC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCSCC1 1350971630 FRCKFTGHUNHLLQ-UHFFFAOYSA-N 429.951 2.336 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)cc1 1355129229 ASLAONXYZSLQOT-UHFFFAOYSA-N 445.472 2.021 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1358918964 NBVZXEMEXOWYOJ-DLBZAZTESA-N 430.553 2.277 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358965044 MXQOKRPIECHRQQ-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1nncn1C 1358988555 ULZDMHXHMAJXFF-UHFFFAOYSA-N 430.335 2.409 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1Cc1ccccc1 1358992836 YCAZHCPIFJDJTE-FGZHOGPDSA-N 430.556 2.357 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(F)cc1)N(C)C 1359018113 DZEYKUZLWHPZIV-HXUWFJFHSA-N 442.539 2.042 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCOCCS(C)(=O)=O)CC1 1359166656 BVFIGSBKESTRNR-UHFFFAOYSA-N 434.562 2.095 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1359195955 UZKYZRGSFSYQIR-QUCCMNQESA-N 436.560 2.427 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1359266216 WRZUFWFVJDMTCY-LEWJYISDSA-N 430.597 2.149 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)C1 1359323078 HYRGGIQOSGZTNU-KRWDZBQOSA-N 434.537 2.367 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1ccnn1 1360760024 GKDVYKLFZSSDKA-QAPCUYQASA-N 442.911 2.482 30 10 IEEE C=CC1(CC(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)CN(C(=O)OC(C)(C)C)C1 1441091761 BXELXCJURGUGQN-UHFFFAOYSA-N 429.477 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CCN(C(=O)CC#N)CC2)(c2ccccc2)C1 1445689230 MEXKQVDOMIUYOW-HSZRJFAPSA-N 426.517 2.150 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc(C(C)(C)C#N)cc1 1452207646 YIPLIXNDSAQPNZ-UHFFFAOYSA-N 430.486 2.446 30 10 IEEE C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1460722784 KPBJYOGXHFSLPH-HFJQGTKSSA-N 431.533 2.398 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2cnccn2)C1 1472051850 SKFPVTVDVIQIGU-INIZCTEOSA-N 427.530 2.092 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CC[S@@](=O)C(C)(C)C 1494135188 BZQXVBXVIKEXHT-LHEBDHONSA-N 442.593 2.079 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H](C(F)(F)F)O1 1494252833 LRJCYJQFSGZBQJ-JOTOCRJQSA-N 448.449 2.451 30 10 IEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1501045759 HSCZBVMSIDJVRI-VQTJNVASSA-N 442.589 2.314 30 10 IEEE COC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1504554269 ALAARCLOTGDJBI-XLIONFOSSA-N 438.532 2.246 30 10 IEEE COC[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C#N 1504558791 CTCTUXAQDLXKLN-CABCVRRESA-N 433.582 2.425 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1504829915 QXWSGWBBPHILLI-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE COCCn1cc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 1504898163 HARJVNRXKBQAJZ-UHFFFAOYSA-N 440.939 2.329 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(O)CCOCC1 1504941205 IGFCQHCGEPWSSG-QGZVFWFLSA-N 429.521 2.052 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OC(F)F 1504998151 HNCCDCPCHNSLOP-ZBFHGGJFSA-N 437.447 2.381 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2CCCCCCO)c1 1505318355 WADDXNWYDYMAPR-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507570060 LYWNYPOKFWDQEP-LJQANCHMSA-N 429.565 2.226 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635567 SZIMNJYAOUMZEC-XLIONFOSSA-N 433.622 2.120 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCOCC1 1507671126 ZRJWLISZWCCTDA-SFHVURJKSA-N 427.499 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)N(C)C)CC1 1507742585 LWFASBRSFMULPE-QGZVFWFLSA-N 442.995 2.438 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1507761523 OMUSBGSBFMUFFY-RPWUZVMVSA-N 445.608 2.158 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507885694 KYYWYJYZYPQDGP-UHFFFAOYSA-N 434.537 2.104 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1507945021 ZSJLXEBUTYNFMO-QGZVFWFLSA-N 433.578 2.343 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1)C1CC1 1507995194 GCQSNUIJXHOLGJ-ZMPRRUGASA-N 433.553 2.355 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1509734811 BFLKBPSNOWHUOD-UHFFFAOYSA-N 436.472 2.190 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCC(C)CC1 1513922562 BVRLDGPBWDECQP-LJQANCHMSA-N 437.596 2.339 30 10 IEEE CN(CC(=O)NCc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Br)cc1 1529871582 WUTJDQHKZVQMLN-UHFFFAOYSA-N 436.331 2.452 30 10 IEEE CCn1c(NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)nc2cc(C#N)ccc21 1535718461 HISCATBOOMTFIF-CYBMUJFWSA-N 429.527 2.468 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)cc1 1538972014 JBFUVSJVOVRXAH-IRXDYDNUSA-N 432.594 2.241 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](F)COC 1539257473 KFANAMXZEQNIJO-QGZVFWFLSA-N 436.491 2.293 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1539517386 MXPRBCZRHYPAPU-KRWDZBQOSA-N 445.614 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1539613136 VWEUMZCTOMCCHK-ILXRZTDVSA-N 431.459 2.165 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1539643129 LCVSRRGEFZJMIP-URVUXULASA-N 441.580 2.226 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539791118 RFOQZDOTEHBCCM-KRWDZBQOSA-N 444.923 2.473 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1539900011 DZEJKFUAIKUDLG-UHFFFAOYSA-N 446.596 2.095 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1)C1CC1 1540109502 QXIKEHQVZVWKIF-INIZCTEOSA-N 432.546 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)C[C@H]1CC 1540868464 GMBOBOHWVJVBAC-JKSUJKDBSA-N 445.593 2.165 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1 1540876217 KRMIQFHSVMBEOI-ZACQAIPSSA-N 448.568 2.266 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(F)cc2)CCOC1 1541733788 VZPKJVODQFKCPO-SIKLNZKXSA-N 429.496 2.429 30 10 IEEE C[C@H](OCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1541987808 GEZWNONIDZSACK-ICSRJNTNSA-N 438.532 2.297 30 10 IEEE Cc1csc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)n1 1542845511 GQOWKVBXCFIINV-OCCSQVGLSA-N 437.595 2.197 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1546528656 XETLLUMEHZTPBW-MRXNPFEDSA-N 440.552 2.347 30 10 IEEE CCOCCn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1548275238 UCPGLKPNYJIXTH-UHFFFAOYSA-N 434.500 2.471 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1552885514 IBFYPWXJYHNRNY-MRXNPFEDSA-N 438.504 2.190 30 10 IEEE COCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555472187 RGRJQKCVXDPFJE-PKOBYXMFSA-N 440.552 2.323 30 10 IEEE COCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C#N)CC1 1555491938 CKGDELXMZPEALX-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2C)CC1 1562369467 NCRWCXUNCJUKRS-UHFFFAOYSA-N 442.541 2.191 30 10 IEEE C#CCN(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CCN(C)CC1 1564729697 XFBQWNBJGSRMQH-UHFFFAOYSA-N 447.388 2.011 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C1CC1)N(C)C 1587662986 SITJXLOTDGRDLU-XUZZJYLKSA-N 449.647 2.441 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1587765822 KPPOCHZXRBRBJL-SFHVURJKSA-N 443.573 2.016 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1587766569 XAMYJHUUUYLFBS-RBUKOAKNSA-N 439.564 2.373 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1588064592 LFPFNKSCGPIRMG-SFHVURJKSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)Cc1ccccc1 1588171071 SUJPHLXSAXSYHC-OAQYLSRUSA-N 432.572 2.498 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)N(C)C 1588280043 FERJEGDCYZXBEI-HNNXBMFYSA-N 435.619 2.482 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)c1ccccc1 1588646017 FWAQSTDQKNBGSJ-QUCCMNQESA-N 430.574 2.460 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)C(C)C)CC1 1588872202 YRTZWKLHGHTZGS-UHFFFAOYSA-N 438.576 2.083 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1588877270 YFVOXMZHHOOTAT-UHFFFAOYSA-N 432.981 2.115 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1593884154 CZRYPXGDHGDBKC-BPUTZDHNSA-N 431.990 2.378 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1594544030 GZPMQQJNQKGUJV-QYZOEREBSA-N 443.573 2.212 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1596951721 NTZWIOAYVPTWQI-SJORKVTESA-N 438.488 2.093 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 1597247232 ZYYXWZBMLNGJGQ-OAHLLOKOSA-N 432.926 2.427 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CCNC(=O)O4)CC3)C2)C1 1598390920 VOYYYEIUSWHOPW-TZQQIIETSA-N 432.521 2.264 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C(C)C)N2CCOCC2)n1 1612476823 BRGBFYQAKQODOL-AZUAARDMSA-N 428.585 2.235 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)OC 1613656369 GVTVJMZQTNOWHS-HBFSDRIKSA-N 438.532 2.116 30 10 IEEE C=C(CN(C)C)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1617880179 RRWWXOVJMVBDBI-QGZVFWFLSA-N 427.330 2.490 30 10 IEEE COc1ccc(-c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)nn2C)cc1OC 1624729280 XHFRICWYKPEEKF-UHFFFAOYSA-N 432.484 2.333 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1624729716 ZXHHKNSWITVTIE-JTSKRJEESA-N 429.521 2.016 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(C(F)(F)F)cc(Cl)n1 1625498225 IRTWEDPRODJRRA-UHFFFAOYSA-N 432.811 2.109 30 10 IEEE N#CC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 1626359547 OTZGBPAJYHEDNS-ZIAGYGMSSA-N 434.396 2.099 30 10 IEEE CC(C)(CNS(N)(=O)=O)NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1633623798 NTNHLJXHDUWRFY-UHFFFAOYSA-N 439.353 2.278 30 10 IEEE CCOc1ccc(N2CCN(C(=O)CCCOc3ccc(C#N)cc3OC)CC2)nn1 1633677436 KRNRVOVRCVJQBO-UHFFFAOYSA-N 425.489 2.263 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)C2=O)cc1 1635977513 QZEBJTPOHJHXPT-QHCPKHFHSA-N 444.451 2.173 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OCC)Cc3cc(F)ccc32)c1 1637093411 FNZPQOXEFMAURI-QGZVFWFLSA-N 444.484 2.119 30 10 IEEE CC1(C)[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H]1N1CCOCC1 1639629813 CPCSDXZMYGDLBD-OALUTQOASA-N 447.377 2.372 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2ccsc2C#N)CC1 1645390666 AIRCPHXCEKKINR-UHFFFAOYSA-N 434.525 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 1648119549 OFKCZUHFDFAVHE-AUSIDOKSSA-N 428.533 2.405 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCN(C(=O)CC(C)C)CC2)ccc1F 1650370901 FHHRVFMPIGOGSJ-UHFFFAOYSA-N 425.526 2.011 30 10 IEEE N#Cc1cccc([C@H](NC(=O)CCOc2ccc(S(N)(=O)=O)cc2)C(F)(F)F)c1 1650791833 HMUFOSBKOVOZOQ-KRWDZBQOSA-N 427.404 2.394 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)CCOc2ccc(S(N)(=O)=O)cc2)C(F)(F)F)c1 1650791835 HMUFOSBKOVOZOQ-QGZVFWFLSA-N 427.404 2.394 30 10 IEEE C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 1662182554 XJHIWMMNCZPNCY-LBPRGKRZSA-N 448.282 2.368 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCN(C[C@@H]2CCCO2)CC1 1666731783 AGIUSEVYEHRVJG-INIZCTEOSA-N 428.352 2.196 30 10 IEEE Cn1cc(CNC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c(-c2ccc(C#N)cc2)n1 1672753700 DGURQNPDGSQBHG-UHFFFAOYSA-N 442.526 2.208 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CCN(CC(F)(F)F)CC1 1681227091 NQDIUWSXPJWBDM-DZGCQCFKSA-N 433.475 2.414 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1689835512 NWZNHUHDNRKVAJ-IAGOWNOFSA-N 431.562 2.080 30 10 IEEE C#CCCCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689906548 NTVDWKYSHDGBLD-NFBKMPQASA-N 431.581 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCOC1 1690034592 MUYRGFGDNYNPSL-HXUWFJFHSA-N 429.318 2.322 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690177376 SWYPZDMORNZHSU-IBGZPJMESA-N 442.564 2.415 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 1690188772 OSCYQMCCHYUBLW-GJZGRUSLSA-N 448.511 2.262 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)c1ccccc1 1690325620 CLNGXWXKFSOQOF-SFHVURJKSA-N 436.520 2.060 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCN(C)C)CC1 1690374114 OYZNTXZFBCSKGM-UHFFFAOYSA-N 440.596 2.187 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1690497079 GZQCJQQYGJPBFM-CYBMUJFWSA-N 439.504 2.260 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCOC[C@H]1C)C(C)C 1690581254 NTLKNNDWVXXVNG-WOJBJXKFSA-N 430.597 2.438 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690653455 SALZOAVCBNFZOI-HSZRJFAPSA-N 441.532 2.173 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccccn2)CC1 1690675658 AUABFSIVFOVUDC-UHFFFAOYSA-N 447.543 2.189 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCN2CCOCC2)CCOC1 1696068930 JLXIMZKKWGJZOT-DHIUTWEWSA-N 446.596 2.173 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1696226386 CLELRBIPJUGMEP-IBGZPJMESA-N 437.548 2.435 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCC[C@H]1CO 1696710398 SVIFYIKYUBZMLK-QFIPXVFZSA-N 448.575 2.424 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1698060780 GXYALSAEVORMNP-IIBYNOLFSA-N 433.940 2.429 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705565734 VTFUCLOGKTWXAG-GOSISDBHSA-N 437.525 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705592943 ZBGBUOFJMDXQRP-LJQANCHMSA-N 445.976 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCCC1 1705598978 SUPMCZZXBQCLFP-IBGZPJMESA-N 432.590 2.240 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCSCC1 1705631112 SHMSXCXXQNDMOT-RTBURBONSA-N 435.638 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C)n2)CC1 1705650720 YHAVTUXUBVKNOV-UHFFFAOYSA-N 443.555 2.176 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC(F)(F)F)CC1 1705785792 WQIDZVRTGKBHAX-HOCLYGCPSA-N 431.459 2.083 30 10 IEEE C=CCn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705893483 KAEZYHBCHGJCSX-ZJSXRUAMSA-N 441.576 2.360 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1CSC 1705901559 PBNBRDDOGFDXNS-CQSZACIVSA-N 439.545 2.228 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1COc2ccccc21 1706878791 GXZXFEUPHRNDIX-GCKMJXCFSA-N 444.561 2.195 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC)cc1 1710537343 CHBUJZNPXARKTP-VFNWGFHPSA-N 430.484 2.395 30 10 IEEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1711062165 PZATUUVWEFUVTA-FBMGVBCBSA-N 445.405 2.342 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)C1 1711338390 CWSUQUMYVJORMD-FQEVSTJZSA-N 432.532 2.374 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1722414063 VDTZPKBDSGGQTB-LJQANCHMSA-N 442.589 2.073 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1722431561 QYIZNNQYQNDLEI-NMEJYPJZSA-N 445.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(N(C)C)nc2)CC1 1722439155 RCIKCRSKJSHYLT-UHFFFAOYSA-N 429.572 2.442 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1722447871 OMBSDMMIRCSUTD-UHFFFAOYSA-N 438.551 2.392 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)CNC(=O)C2 1722534881 YPSKSFSJLYMKIV-UHFFFAOYSA-N 430.578 2.333 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CCOCC2)CC1 1722559293 RJULQHACFCLINR-OALUTQOASA-N 439.988 2.303 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722592786 YZTBTZOPWHYCOV-LJQANCHMSA-N 431.581 2.460 30 10 IEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1723635490 YGZHWWGQMIAGME-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)Oc1cccc(F)c1 1727258058 DSFFSXKWGYAJBC-HKUYNNGSSA-N 425.468 2.404 30 10 IEEE CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1728212261 NCJCRDXKNLEQIZ-OPAMFIHVSA-N 442.495 2.463 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCOCC(F)F)c1 1731180770 LHHBSEGGMMIOGD-MSOLQXFVSA-N 433.459 2.483 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCOC1 1740565750 GLRPZZGWTWWBRD-GOSISDBHSA-N 445.589 2.472 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740589246 STJOOBMWNNYPKQ-QGZVFWFLSA-N 426.546 2.103 30 10 IEEE C#CCN(c1nnc(CC)n1CCCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 1740624591 IKPHTNRXZROSFP-INIZCTEOSA-N 447.630 2.435 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1740898940 BBEROAUBFVROBM-INIZCTEOSA-N 441.504 2.219 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740958035 HJKBVWOWKCHXPL-HOTGVXAUSA-N 432.550 2.165 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](COC)C1 1740960037 JLRLMYWXWOROBJ-FXAWDEMLSA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740961637 WAMBFQCZVJPFNP-GOSISDBHSA-N 442.539 2.053 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC(F)(F)F)cc1 1740965236 FWKUAMJMQHDRFJ-ZDUSSCGKSA-N 447.483 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(F)(F)F)CC1 1740990255 NXQJRIHEDLSFEN-UHFFFAOYSA-N 446.499 2.448 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1745000057 CMMBWDRARAHBFO-DNVCBOLYSA-N 431.500 2.363 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1747381939 GCMQEZYDWVIECZ-UGKGYDQZSA-N 443.573 2.317 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)C(C)C)c1 1748692999 VBIGKVUNRAIKIF-HXUWFJFHSA-N 435.532 2.406 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1748745506 MZDZGAUDFRNFJM-QGZVFWFLSA-N 438.536 2.489 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748817166 GDIQCPRXMXBCED-LEWJYISDSA-N 443.617 2.333 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)(F)F)cc1 1748959957 BRQFNHDERPPKPI-MRXNPFEDSA-N 437.422 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)=O)CC1 1749659163 WIUGENSDUXVYFS-UHFFFAOYSA-N 442.589 2.246 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1750034277 OPIHRRWYVNDSQZ-HXUWFJFHSA-N 431.500 2.396 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(C)CCCO1 1750971363 BKZUVRZESOVJIF-AUSIDOKSSA-N 438.532 2.435 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@H]2CCCCO2)CCOC1 1751026746 QMMNVHBPSDOOJM-XQBPLPMBSA-N 433.553 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1760096218 HQBLVGJDUXZBMN-YOEHRIQHSA-N 442.951 2.234 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)nn1C 1760101090 IUFCODBAGNUZOR-OAHLLOKOSA-N 440.577 2.095 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760144654 XVSUDZDEGSPTMO-LJQANCHMSA-N 447.547 2.464 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1760145516 QCSJYRJQXXPRQE-SUWCGCSTSA-N 449.621 2.476 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1n[nH]c(C)n1 1760214617 WDLXCFZRHMFWQL-UHFFFAOYSA-N 433.516 2.485 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760278131 ZAUJBVUGRXRKJO-KRWDZBQOSA-N 441.557 2.140 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760344249 HCUOMMRGFONWMX-UHFFFAOYSA-N 439.520 2.381 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](COC)OC)CC1 1760398934 RXKKRPJBFVXGFB-SFHVURJKSA-N 434.562 2.412 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCN(C(C)C)CC1 1760917634 ROYPGSSAOBCLRR-UHFFFAOYSA-N 439.564 2.172 30 10 IEEE CC(C)Cc1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761013289 URDXZMOTHHBTCQ-VEGAHXMMSA-N 442.564 2.256 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)O1 1762426305 LPVYALURDIMZGW-WHSLLNHNSA-N 425.493 2.002 30 10 IEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1764481981 DNCYLMNVRHFYRZ-VQTJNVASSA-N 442.589 2.314 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1766450572 AGYYWAASLITLDN-IBGZPJMESA-N 427.530 2.177 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CC1 1767690232 GHWWNARSFCMSMZ-HSZRJFAPSA-N 434.500 2.280 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N)c1ccc(F)cc1 1768112499 FRTHYXSNAJVYHF-YXJHDRRASA-N 435.525 2.445 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCc2cccnc21 1769838295 WWBUKXXDSGVNAW-GOSISDBHSA-N 425.537 2.298 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](c2ccccc2C)N2Cc3ccccc3C2=O)NC1=O 1851981027 GLCAVUWZBOURHA-HXUWFJFHSA-N 444.491 2.403 30 10 IEEE C=C(C)CN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)C(=O)[C@H]1C 1854734958 AHAYIIVHLRLQQG-CQSZACIVSA-N 432.546 2.385 30 10 IEEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC(F)(F)F)CC1 1857372570 MGCPDGRKXIPMQS-UHFFFAOYSA-N 429.420 2.369 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862744956 YMCLNYVMSSEKDX-BMLIUANNSA-N 443.368 2.168 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866728 JXDYFMBEKNVLHV-MOPGFXCFSA-N 437.525 2.012 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868796601 WFXCYUHLNOCUJS-YTQUADARSA-N 432.590 2.150 30 10 IEEE C=CCOc1cn(CCCN2CCCC2=O)c(CN(CCO)Cc2ccccc2)cc1=O 1870383844 JSJAYOZDKQOVRB-UHFFFAOYSA-N 439.556 2.420 30 10 IEEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCN(C(C)=O)CC2)cc1=O 1870561004 VMVIGFYYMGJTBF-UHFFFAOYSA-N 432.524 2.248 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1cccc([N+](=O)[O-])c1 1874313229 KIMKPMXEMKSVPS-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccco1 1874436017 HYMFLVZOIZLLLF-HYLGSWLWSA-N 426.502 2.359 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)CCN1Cc1ccccc1 1914704340 ITQXBBINSHTWPO-FGZHOGPDSA-N 436.512 2.466 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1COC1 2060626618 YZCDOHRZPILMLU-QGZVFWFLSA-N 432.326 2.464 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2067382228 BCDSSPDMOXPMGR-MOPGFXCFSA-N 432.370 2.446 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C1 2141665427 NBLQYPVFALXKMB-CVEARBPZSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CC(Oc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2232318234 KKSAGBFNAWBMDJ-KRWDZBQOSA-N 445.369 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2232321149 OJYBXFUEMQUSKV-ROUUACIJSA-N 445.369 2.453 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)C1 2244008145 VPUQCGNGMOJGEF-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247834086 QPGIBCDWQCVJIJ-UHFFFAOYSA-N 429.351 2.173 30 10 IEEE C=C(CS(=O)(=O)NC1(C2CN(C(=O)OC(C)(C)C)C2)CC1)B1OC(C)(C)C(C)(C)O1 2247961335 DLTUIBCXVLKDFN-UHFFFAOYSA-N 442.387 2.493 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2250289814 PXBZNKAJVJIORS-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE CCN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255619517 PVXWBXCUYPAPHY-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255626944 MBOCHHUDGVUFGO-KGLIPLIRSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255798445 UOWWUCUYLSRIAU-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255873278 CRVUZJSCDFKIOW-HOCLYGCPSA-N 433.358 2.450 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2255874123 JNLIEGOGBJXTPJ-HOTGVXAUSA-N 433.358 2.500 30 10 IEEE Cn1nc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267126676 CVWLRPNEJOFITL-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139117 BLNINEZEYXYNQP-GJZGRUSLSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC1)CC2 2267140141 ANURBMUNLYIFLQ-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178141 XWWDNYDEXQLDPB-LJQANCHMSA-N 438.381 2.361 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267189523 BKGUPJAVDFCDJG-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]21 2267192018 KWFGMMLRXPUSHI-FOLVSLTJSA-N 447.316 2.115 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267517972 AZGUYTUMCYEMTA-LJQANCHMSA-N 438.381 2.422 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267520955 PLJLTHZRDBYWNS-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1csc(C#N)n1 2271174748 IWMXOGGXUDNELK-OAHLLOKOSA-N 437.499 2.088 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1csc(C#N)n1 2271181527 IWMXOGGXUDNELK-OAHLLOKOSA-N 437.499 2.088 30 10 IEEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)CC1(C)OCCO1 2282334891 HVMOOUMZZWUESA-OAHLLOKOSA-N 425.356 2.053 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1 2296557175 VEDPXVPGSCTSMK-NRFANRHFSA-N 438.480 2.450 30 10 IEEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)c1 2297740715 HADGZAKNKJHDMS-OAQYLSRUSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@](C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2326109738 VNJBDLDRYFMEAP-WMZHIEFXSA-N 446.548 2.081 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(O)c2)cc1 2329262910 QAXCYISKHNUVCO-UHFFFAOYSA-N 427.486 2.051 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc[nH]1 2330792485 QBGUSZZOJGXTCJ-AWEZNQCLSA-N 425.518 2.094 30 10 IEEE CCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCCO)cc1OCC 2330795069 XLFHMXOYNGDBGO-UHFFFAOYSA-N 435.550 2.458 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@H]1NC(=O)OC(C)(C)C 2337201791 ZIVDFBYMQLVCIJ-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCO2 10358842 BJWLZFIYYOKWBJ-HNNXBMFYSA-N 442.497 2.064 30 10 IEEE O=C(O)c1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCCCO)C2=O)cc1 105535176 CBIKNXNKUWTFSA-QGZVFWFLSA-N 427.482 2.410 30 10 IEEE COC(=O)[C@@H]1[C@H](O)C2=CC(=O)CC[C@]2(C)[C@]23O[C@H]2C[C@@]2(C)[C@H](CC[C@@]24CCC(=O)O4)[C@@H]13 256979530 DDHQRXOAZNEFKY-TVCCWIIMSA-N 430.497 2.095 30 10 IEEE in-vitro C[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCN1CCO 427420816 MKQRUPMIEFYUQZ-ZDUSSCGKSA-N 444.479 2.175 30 10 IEEE C[C@@]12CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C[C@H]1C2(F)F 428733730 QUQRFHZYYWEVIO-OXQOHEQNSA-N 431.443 2.432 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@@H]1CCCN(CC#N)C1 433222495 ZFQWTZMWXTWSDG-GJZGRUSLSA-N 442.379 2.211 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 460934051 YVSRQFXIAYMELR-HKUYNNGSSA-N 444.605 2.444 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 462086422 XFYBRKWBYVTYNO-PZJWPPBQSA-N 431.500 2.143 30 10 IEEE COc1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC(F)F 464823872 SESDFYXZARGLLY-CYBMUJFWSA-N 432.431 2.379 30 10 IEEE COCCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 472621614 JIWALUVBVYENNG-UHFFFAOYSA-N 434.562 2.171 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 478859151 SGQYFFSHVHBJNV-UHFFFAOYSA-N 449.374 2.249 30 10 IEEE Cc1ccsc1[C@@H](CO)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 494642764 KQDBYIOJWBMWQG-MRXNPFEDSA-N 441.513 2.148 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 505356369 VJKYXGDYTZXCPL-GOSISDBHSA-N 442.560 2.317 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 508476130 BJUZPFYHOMFOCP-PMACEKPBSA-N 440.592 2.469 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1ccc(Cl)cc1 509129484 WJRXVYCJHZYQCI-WIYYLYMNSA-N 438.919 2.410 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccc(F)c3C)o2)c(=O)n1C 522408326 ZZOZFUREFMSCIA-UHFFFAOYSA-N 425.485 2.184 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)CC1 535231287 WTUQPEVNLOKBJQ-UHFFFAOYSA-N 435.450 2.464 30 10 IEEE COc1ccc(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1OC 545471849 QQKVQXTZLOVRTB-UHFFFAOYSA-N 425.489 2.053 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1C 546800412 CJHKLEVZBMDSON-UHFFFAOYSA-N 425.576 2.024 30 10 IEEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2nccn(C)c2=O)CC1 549733420 GZMPXRBETLWBBD-UHFFFAOYSA-N 449.559 2.416 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)CCN1Cc1ccccc1 559541776 MAWNQUDGWCUSFV-GOSISDBHSA-N 446.429 2.438 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)c(F)c1 609256017 RRUDHLZYWSROLM-UHFFFAOYSA-N 440.500 2.070 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@@H]1CCCO1 610574301 DUYOZZIBDUDMHB-IBGZPJMESA-N 449.576 2.092 30 10 IEEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 611840979 XGEAMDYXVUINGS-RBZFPXEDSA-N 441.879 2.239 30 10 IEEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)NS(=O)(=O)c3cc(C#N)ccc3C)c2C)n1 734291360 OSFNSNRWXQNMQB-UHFFFAOYSA-N 438.513 2.124 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 735847938 CHYWBEJKXJDVFO-QZQOTICOSA-N 440.481 2.342 30 10 IEEE CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741339639 HPJBKISCJVXENL-DQRAZIAOSA-N 429.517 2.121 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2ncccc2C#N)CC1)C[C@H]1CCCO1 742039902 VLWAVZJOCUTNSN-GOSISDBHSA-N 429.521 2.018 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)CC2)o1 745226837 AJXRQDQSMJCLIT-GDBMZVCRSA-N 430.411 2.128 30 10 IEEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1C#N 746767966 DNPSNBARYVUFKT-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE COc1ccc(C)cc1N1C[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1=O 760404028 MWRDAACQZRWZEY-MRXNPFEDSA-N 433.530 2.277 30 10 IEEE N#C[C@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)CCN1C1CC1 765456522 CGWQHMWXOHYWDO-SFHVURJKSA-N 449.540 2.272 30 10 IEEE C#CCN(C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 774181389 VGRDRAKRNNGKED-AZUAARDMSA-N 433.574 2.054 30 10 IEEE CCN(CC)C(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787057678 WZYGHZHFIXJKPD-SFHVURJKSA-N 429.477 2.094 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)n1 788332609 SJBBQGIHLCYJCV-SFHVURJKSA-N 445.317 2.059 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)N(C)Cc2cc(Br)cs2)n1 789321291 WWCFFCRTSYYNAC-UHFFFAOYSA-N 439.379 2.447 30 10 IEEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 790703583 YZSACBVLSOAUSK-VQIMIIECSA-N 430.574 2.497 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccn(Cc3ccccc3)n2)ccc1F 791306246 PKOHKAZJMGLOSZ-UHFFFAOYSA-N 428.489 2.465 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCCC(F)(F)F)c2=O)cn1 794674405 YLAAJVPJTUZVGR-UHFFFAOYSA-N 438.475 2.248 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCC1(O)CCOCC1 795185960 ZZAYJHZXVMOJPY-GOSISDBHSA-N 442.541 2.090 30 10 IEEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C#N)c(Cl)c2)n1 807938146 VXGSUNPCPFQVSJ-MRXNPFEDSA-N 443.920 2.141 30 10 IEEE N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)n1 811709801 LWPJUBXFXPWHLL-UHFFFAOYSA-N 436.375 2.441 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2C[C@@H]2CCCO2)CC1 812310473 YFMPBAXJCVAJKI-PZJWPPBQSA-N 435.528 2.099 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)n1 812654270 ZIYVYWGBMLQPEG-YOEHRIQHSA-N 436.559 2.043 30 10 IEEE Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)nc1 858040051 BTSDCZRCIUWHPP-FCHUYYIVSA-N 437.519 2.391 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777459 CVOTUOJUKDTBMU-LJQANCHMSA-N 441.509 2.208 30 10 IEEE CCC(=O)N[C@H](CCSC)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918615966 HFMXBPQRAMFCGU-VBUUPXLYSA-N 440.591 2.086 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NCc1ccc(S(C)(=O)=O)cc1 919008046 KCIZJMQTGCLACX-UHFFFAOYSA-N 441.465 2.127 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1127215831 PPQHUMUUHFHHJJ-YJBOKZPZSA-N 427.505 2.488 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3ncccc3C#N)CC2)s1 1136107698 OHKHGQPIOSCZOR-UHFFFAOYSA-N 428.518 2.397 30 10 IEEE C[C@@H](NC(=O)CCC(=O)NCc1ccnc(C#N)c1)C(=O)c1ccc(Br)cc1 1156655292 CJLASMRQLNQIHE-CYBMUJFWSA-N 443.301 2.500 30 10 IEEE N#CCc1ccccc1S(=O)(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 1186105578 GVLHHUZBBCYMEW-HXUWFJFHSA-N 439.585 2.371 30 10 IEEE C=CCONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1196767545 VJFKJPNPLUKUIW-UHFFFAOYSA-N 439.582 2.098 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CC1 1204695968 LSDWPSKTPTXLHA-UHFFFAOYSA-N 427.530 2.243 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 1221379638 OXDXYMNJELLTAD-UHFFFAOYSA-N 437.562 2.202 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 1224762504 LMNNKJMOEDZZIT-QWHCGFSZSA-N 443.488 2.074 30 10 IEEE COc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(F)cc1C#N 1280498805 DPMDEPSWVZGBNZ-UHFFFAOYSA-N 437.424 2.118 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1286400065 VHCSVJDMGQRQMM-VWLOTQADSA-N 449.555 2.050 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCS(=O)(=O)C1 1286418290 GLAHYCCWAUZAOA-GOSISDBHSA-N 448.552 2.233 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286435462 AYZXDOYVAUZAKW-HNNXBMFYSA-N 435.454 2.269 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1286440161 ONRKIPWHTPNUPH-GOSISDBHSA-N 432.528 2.448 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)OC)c1 1286466367 XXPXHRMIPCHBGD-SFHVURJKSA-N 427.505 2.485 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286599686 ZLXQEWRDZFTEDI-ZJSXRUAMSA-N 446.640 2.500 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286798346 GYSXIIDHTBVKQM-JPYJTQIMSA-N 425.533 2.358 30 10 IEEE CCc1nnc(N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1292999385 OOGXPMKYXVYZJT-WAWRUEDLSA-N 439.347 2.387 30 10 IEEE CN(CCCc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1298656003 WBLXHTSHXADNSD-UHFFFAOYSA-N 443.515 2.370 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1300310078 WPFIBCUNDIDBCA-JSGCOSHPSA-N 427.452 2.100 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1300310677 YTJFHGUQJBEKKR-BBWFWOEESA-N 432.546 2.114 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300392114 ZYMHGHJCJPLXOZ-OAQYLSRUSA-N 437.548 2.483 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1300700580 SKCFZWMHPQXGMG-HXUWFJFHSA-N 439.560 2.187 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1301130423 ZUZWHBSJKXWPOL-LJQANCHMSA-N 432.594 2.367 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(c4ccc(C#N)cn4)CC3)C2=O)cc1 1301180748 FDBXWIDTTDAXPX-DEOSSOPVSA-N 431.496 2.435 30 10 IEEE C=CCCOCCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1301261954 MCHXDHHCWYRLHJ-OAQYLSRUSA-N 448.656 2.400 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1)C1CC1 1301327070 LXXYIWXDINNSQG-INIZCTEOSA-N 435.594 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(C)C)CC1 1301483245 LQCSFCLFLHLQSB-UHFFFAOYSA-N 442.564 2.043 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@]1(OCC)CCOC1 1301517703 BANWAZFOKVGWRF-QFIPXVFZSA-N 445.951 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1301575802 KOHHMNRIMUHKEU-QFBILLFUSA-N 434.562 2.416 30 10 IEEE N#Cc1csc(CNC(=O)N[C@H](CO)c2ccccc2I)n1 1313350483 IUSRKRNXKZYQFK-GFCCVEGCSA-N 428.255 2.152 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)COc2ccc(C#N)c(Br)c2)c1 1356476183 VILCZUJTURVXCJ-UHFFFAOYSA-N 426.270 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1358894057 HPAWTXBKNXUDNF-CQSZACIVSA-N 444.586 2.048 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](F)COC)c1 1358902805 ZUAOKIITPPWEFP-ROUUACIJSA-N 429.496 2.213 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)n1 1358993708 VEBXZEDDYMKTDY-NRFANRHFSA-N 434.544 2.263 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCCC1 1358995734 CKZAFTCFPYAJDK-UHFFFAOYSA-N 429.528 2.025 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359082147 ABZCPYFXZMHQTO-UHFFFAOYSA-N 446.353 2.275 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1359113663 NOGSNEWEZQAJEJ-INIZCTEOSA-N 444.561 2.338 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@@]1(OC(C)C)CCOC1 1359137231 JMRSRGDQMHOINL-XMSQKQJNSA-N 445.568 2.381 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359156926 SZMHFVKDCPWPTQ-WFXMLNOXSA-N 439.988 2.230 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1359301110 RRYORVJROBXBOQ-HXUWFJFHSA-N 440.592 2.025 30 10 IEEE CS(=O)(=O)c1ccc(OCCNC(=O)Cc2ccc(Br)cc2C#N)cc1 1360048144 AQDDYADFYAGGQR-UHFFFAOYSA-N 437.315 2.462 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 1435746312 KXRGMDUCVIQRHK-CQSZACIVSA-N 430.242 2.487 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1457931892 YYWQULCHBWXCAV-AWEZNQCLSA-N 443.363 2.128 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)cc1 1469835868 RZIONLXSXGHBAQ-KRWDZBQOSA-N 437.880 2.229 30 10 IEEE C=CCONC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1470186263 YGESOVKLGJUXDQ-UHFFFAOYSA-N 429.334 2.465 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1 1503248148 FXKIDTIVIIYOSY-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCOC1 1503413200 RTPOJIWLEYWAPW-SFHVURJKSA-N 429.546 2.399 30 10 IEEE COc1ccc(COCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1 1504288071 NHHCWWQSYKXHEJ-UHFFFAOYSA-N 438.532 2.366 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1507524990 XKWYRKXLWVDVGX-KRWDZBQOSA-N 447.547 2.218 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 1507563834 JESNUUAAPKRAJU-GOSISDBHSA-N 437.610 2.431 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCN1CC 1507663929 DJDGVDXPJKPTRQ-JOCHJYFZSA-N 443.559 2.258 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CCC1 1507690108 PSLPPPCMMAHXBH-HKBQPEDESA-N 441.605 2.213 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507750954 IUJGJHMOSAZCSP-MOPGFXCFSA-N 431.606 2.281 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1507955005 UFMNZZOBOGUODK-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCCOCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1507965160 CJVDXOSKDMFZEA-KRWDZBQOSA-N 425.599 2.173 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1507966763 CAQHGFPQRNPZPH-SFHVURJKSA-N 432.569 2.149 30 10 IEEE CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)C#N 1516801269 BTLVDFUINWJAPL-AWEZNQCLSA-N 432.550 2.178 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1517701412 FUDZOVSSNOBYFS-UHFFFAOYSA-N 433.472 2.157 30 10 IEEE COCCCOc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1519085965 SUXKDIOOEJOUBN-JOCHJYFZSA-N 448.527 2.456 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1Br 1533664570 MLFUCYLJLYGIQA-QGZVFWFLSA-N 435.299 2.485 30 10 IEEE COc1cc(N2C[C@@H](C(=O)N(C)[C@H](C#N)C3(SC)CC3)CC2=O)cc(OC)c1OC 1536467448 OOLQHYCWYFJIRG-SUMWQHHRSA-N 433.530 2.311 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1CCCO 1538965823 QEUHCXMQADHXPZ-TZIWHRDSSA-N 438.576 2.452 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1 1538983723 VZYNLNGQZKGEJX-LNLFQRSKSA-N 445.589 2.204 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539160772 AJTZFEDPZVIMDJ-UHFFFAOYSA-N 432.912 2.357 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539204674 BIGXIITWHYRYHC-LJQANCHMSA-N 444.557 2.007 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539507423 WHQJWDXHLIWRJD-MRXNPFEDSA-N 448.570 2.054 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539626010 AKFCOKQZQKAUSY-HBFSDRIKSA-N 441.580 2.402 30 10 IEEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1540113791 DFILQQKRSTUOSC-JOCHJYFZSA-N 446.573 2.178 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1540137570 VAPVXAIVPSBQRR-AEFFLSMTSA-N 435.569 2.462 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1540868277 YRIZEWLOBLHWLD-MRXNPFEDSA-N 439.495 2.168 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCCc2nc(O)c(C(N)=O)cc21 1543369733 XEPBXLNVNQWCQS-OAHLLOKOSA-N 429.274 2.257 30 10 IEEE CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1547791570 ONXPYQJWQKXUDE-OAHLLOKOSA-N 428.493 2.352 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)c(F)c2)cc1 1561653163 HKNRRYWOPFEVMX-UHFFFAOYSA-N 425.507 2.206 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(CC(=O)N3CCN(C(=O)CC#N)CC3)cccc2C1 1566317895 MJORAUAXCLEUCC-UHFFFAOYSA-N 426.517 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(C(C)(C)CO)CC1 1567081351 LVPDWCCHAQMZQB-HXUWFJFHSA-N 442.560 2.308 30 10 IEEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)nn1 1585550375 CCINAMRBRYMJFN-UHFFFAOYSA-N 437.525 2.141 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1587878570 AVBRYMKDGGZHKP-UHFFFAOYSA-N 444.605 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1588104875 BMOGKCNTIUOPQQ-OAQYLSRUSA-N 425.496 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C(C)C)N1CCOCC1 1588613039 QSQVIFAGAKMPHC-JOCHJYFZSA-N 436.560 2.260 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cn(CCCC)nc2C)CC1 1588848603 JGJFQSLSBPHVBS-UHFFFAOYSA-N 432.576 2.372 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OC)CC1 1588954643 KEDBPGJMSCFRFV-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](C)C1 1589069410 KRLXNKRSLMOEJD-ROUUACIJSA-N 441.605 2.432 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)nn(-c2ccc(F)cc2)c1N 1595533016 HGHJDUKMMQFINY-ZHALLVOQSA-N 438.507 2.209 30 10 IEEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1603297500 ADWGXDNMQURLJZ-QUCCMNQESA-N 448.479 2.054 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1608473360 FNKFYXKMWUAOGO-QFIPXVFZSA-N 445.568 2.413 30 10 IEEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1613487468 YUBYLIIOZAQOAS-RTBURBONSA-N 441.532 2.382 30 10 IEEE CN(C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C)(C#N)CC1 1617702467 KNLDWQJIMOUWNH-UHFFFAOYSA-N 436.564 2.225 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1620071316 KREURMUAZJAPMW-VQTJNVASSA-N 438.532 2.117 30 10 IEEE CCC1(CC)CNC(=O)[C@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1620612531 HKLPKSQUKUVPLV-IIBYNOLFSA-N 441.576 2.250 30 10 IEEE C=CC[C@@H]1CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1620649439 UGTYRIQMHCHCMP-QGZVFWFLSA-N 437.562 2.084 30 10 IEEE C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1cnn2cc(Br)cnc12)C(C)C 1622031853 GOOZIKZSMQTLAL-HNNXBMFYSA-N 442.383 2.469 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1623601796 CVQZPDLJLVVDQC-OAQYLSRUSA-N 443.592 2.438 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 1624763670 MSFDXTUSBROAIT-UHFFFAOYSA-N 432.523 2.177 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 1625811285 CCVGCUWOTJKCNL-KRWDZBQOSA-N 447.532 2.085 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)CCO2)cc1 1626962872 QRGOKKXUSGGJFP-RTWAWAEBSA-N 425.510 2.311 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C)[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] 1628955571 SYXUOCMHLOZZRZ-IKDJWVMYSA-N 427.461 2.469 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1630788428 DWDPCCVNIYQEOB-HNNXBMFYSA-N 432.933 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(C#N)cc4F)C3)[C@@H]2C1 1636432363 JIVLQIHMDPVSFM-QGTPRVQTSA-N 444.463 2.352 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1)c1ccc(Br)cc1 1636561598 DIGQPOQOVMWWMQ-BBRMVZONSA-N 428.352 2.094 30 10 IEEE C#CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327633 NEBHPRCZMUHXCR-UHFFFAOYSA-N 444.488 2.186 30 10 IEEE N#Cc1cc(Br)cnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1641954191 KEDBOYLZODKEMN-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE COC(=O)c1ccc2c(c1)N(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1643797913 HLWDITFYPSUVDL-CQSZACIVSA-N 441.509 2.270 30 10 IEEE C#CCOCCN(C)C(=O)[C@H](CCSC)NC(=O)c1ccccc1Br 1648264277 IILIRAYFXMGSAE-INIZCTEOSA-N 427.364 2.409 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1649428261 IEJBHEFRPKPRIM-FUHWJXTLSA-N 428.537 2.478 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1 1651801847 KTTUQBXCCLOSRD-SFHVURJKSA-N 433.574 2.087 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C2 1653211205 UCHCURKWJIUQEJ-UHFFFAOYSA-N 444.460 2.084 30 10 IEEE CS(=O)(=O)Cc1noc(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1654967974 DVXYLONSBLDYSE-BQBZGAKWSA-N 443.316 2.217 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c(C#N)cn1CC 1662775223 ANKAYBPZWGZBKV-SFHVURJKSA-N 428.493 2.267 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c(C)nn(COC)c1C 1665507030 PBOHUBDDHAALKK-UHFFFAOYSA-N 440.566 2.127 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1669559836 FTVSDSIMCNAIGP-UHFFFAOYSA-N 449.920 2.144 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1670587855 DWAOVHCRKGZKFA-UHFFFAOYSA-N 429.336 2.384 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1670882528 PZZRONJWWYVSKP-IUCAKERBSA-N 444.344 2.400 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](O)COc1ccc(I)cc1 1672906758 WQEWZNSZPXDRBO-BMFZPTHFSA-N 446.285 2.064 30 10 IEEE C=CCn1cc(CNC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)nn1 1673802707 QCHGMWIAUDACBC-UHFFFAOYSA-N 434.298 2.428 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] 1674636906 GVKWTRZNFQXVKU-UHFFFAOYSA-N 431.493 2.155 30 10 IEEE CC#CC[C@H](CO)NC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1678354914 JIZKNAYOSVUDOR-RTWAWAEBSA-N 443.569 2.397 30 10 IEEE C=C(C)COCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1680166918 FOXUKOIFSPGOOL-GOSISDBHSA-N 440.585 2.469 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 1684036912 RQMKGYCNGQDVPY-GOSISDBHSA-N 432.521 2.307 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1689940727 BOFJACPQQDHDAW-IRXDYDNUSA-N 430.553 2.430 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1689978526 XROPAFGWGGDUKE-HFEAXUOCSA-N 433.553 2.048 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCN(C(C)=O)CC1 1690001686 PWXAJBIFWMEPMM-QHCPKHFHSA-N 432.572 2.057 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccncc2Cl)CC1 1690146240 IVRQLWMIMLXQNG-GOSISDBHSA-N 442.951 2.235 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690175424 XEMMIMLXIIYQMC-SFHVURJKSA-N 443.548 2.136 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690254557 CRNZNMWOXBEHHA-INIZCTEOSA-N 446.518 2.472 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1690265767 USDDEEHUVPVODC-LPHOPBHVSA-N 427.640 2.020 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690462759 OPSYAFVEWOTYSO-IBGZPJMESA-N 432.569 2.103 30 10 IEEE CC(C)(C)C(=O)NCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1691038284 KCWDILAWHOOLPQ-UHFFFAOYSA-N 425.537 2.273 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1Cc1cn(C2COC2)nn1 1692346722 MSLNCWLJVDAKKW-IBGZPJMESA-N 428.541 2.497 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1693876292 NYHOMWSYOKTTGL-JKSUJKDBSA-N 449.602 2.208 30 10 IEEE CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1694406194 QVLUQIPCPPQGMP-FQEVSTJZSA-N 449.563 2.158 30 10 IEEE CNC(=O)N1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1697017549 ZZTJAHILOAEYGE-UHFFFAOYSA-N 449.515 2.046 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(C)CN(C2CC2)C1=O 1697606208 JFSIABFPWPNSMD-MWTRTKDXSA-N 438.532 2.472 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1705540549 DYHJQZHFZHBHBM-UHFFFAOYSA-N 443.511 2.166 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705701189 DKVCXZNRGRUKLY-YLJYHZDGSA-N 427.553 2.255 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1705733988 ZGEFIKKDVSMDOE-QFIPXVFZSA-N 429.521 2.257 30 10 IEEE CC(C)N1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1706573445 MWHZHMQBSZWSCU-QZQOTICOSA-N 443.596 2.314 30 10 IEEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)o1 1708983460 FOZRENYHPGEOTB-UHFFFAOYSA-N 449.515 2.304 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1711793652 DXAJDIZUTMAYRZ-MJGOQNOKSA-N 445.589 2.493 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1722350005 JAZCDOSVJRMEHQ-GOSISDBHSA-N 447.543 2.003 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1722390400 CGPXOEQGSWEQPD-REWPJTCUSA-N 442.560 2.325 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1nnc(C)s1 1722400091 ZPSNPHQMCWKHOO-UHFFFAOYSA-N 430.541 2.382 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2ccco2)N2CCCCC2)CC1 1722441718 PALZGZJMXGAQFL-FQEVSTJZSA-N 426.565 2.390 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722535558 KEILRBZKOWBIFW-GOSISDBHSA-N 427.549 2.332 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722559451 XJIZBSBGISTIGR-INIZCTEOSA-N 430.534 2.049 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CSCCS2)CC1 1722574223 HYYOYJGHNZUJSB-UKRRQHHQSA-N 431.653 2.139 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722607919 NMNSWGDTTOETNH-QGZVFWFLSA-N 442.568 2.309 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(CC(C)C)C2)C1 1722713881 JYJRYVBDQWJCFC-ZCNNSNEGSA-N 430.597 2.379 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@@H]2CCOC2)CCO1 1731189096 JWFHBVLQBBVEFV-DLBZAZTESA-N 447.486 2.319 30 10 IEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1740576041 XNWHZYVDMKPYJS-UHFFFAOYSA-N 447.587 2.412 30 10 IEEE C#CCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740596389 DIOGNRAJRNYYIK-HSZRJFAPSA-N 444.580 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1740636426 ZEZZAQQACPUHNV-OFNKIYASSA-N 430.516 2.341 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1CCN(C(=O)OC)CC1 1740686477 JLLXVAPTIVYSNQ-UHFFFAOYSA-N 446.577 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccc(C(=O)N(C)C)c1 1740687190 VBETWAYFSOUFOG-UHFFFAOYSA-N 432.528 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2cccs2)CC1 1740705115 AYASTRUVCYGHSS-QFIPXVFZSA-N 429.590 2.412 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740794759 HRIQYOAZGXHLSY-SFTDATJTSA-N 444.580 2.484 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC)C1CC1 1740910163 KWAAHJPSKVZFDS-INIZCTEOSA-N 432.546 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](COC)C1 1740992131 BDZLAHSAWUIKSY-LJQANCHMSA-N 433.578 2.118 30 10 IEEE CNC(=O)c1cccc(CCn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)c1 1748156345 CWKSCJMVOVHUJS-UHFFFAOYSA-N 432.532 2.411 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)nc2)CC1 1748283353 PAYWDEGXGUKOMZ-UHFFFAOYSA-N 436.907 2.375 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1748730266 HOBFARBZTFWAMO-GOSISDBHSA-N 445.531 2.234 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1 1748765376 DZIOKNQQVSZOMX-UHFFFAOYSA-N 436.438 2.162 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCSCC1 1748825311 UKHTZXBBCCRENZ-UHFFFAOYSA-N 436.585 2.269 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1749367115 QEUKXVLXMIJALA-SJORKVTESA-N 426.583 2.024 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749455377 UAEISYIZODWUMH-NQIIRXRSSA-N 426.565 2.398 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2)C1CC1 1749508124 JOURKLOQNMBEQU-OAHLLOKOSA-N 447.561 2.253 30 10 IEEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749582737 OLYPIWZWNLFEKF-QFIPXVFZSA-N 446.573 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749734772 MOBYZOMLFBDYKB-QGZVFWFLSA-N 426.489 2.297 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 1750417614 FMEHPLGKNNUDMG-ZZEZOPTASA-N 435.444 2.146 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc2[nH]ccc2c1 1751216320 CDOYOFFZGDDDAM-JLTOFOAXSA-N 445.524 2.054 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(C)C 1760097375 DIQBAWLXJYCCRR-DLBZAZTESA-N 433.578 2.429 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760158435 KSLKEQCFXRBIPZ-FQEVSTJZSA-N 441.507 2.237 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760162028 WCFBVJMXRDWCKS-QHAWAJNXSA-N 442.608 2.360 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1c(CC)nn(C)c1OC 1760199083 ODWHEAZQFKKLSA-UHFFFAOYSA-N 448.527 2.388 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)C 1760240211 KGKNOMFDZDNCBA-QHCPKHFHSA-N 443.523 2.186 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760273728 CWUAJCOWUBZTPU-KDURUIRLSA-N 432.546 2.179 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1760323875 GJHNJKPSFPKWKL-IIMJZQEZSA-N 430.578 2.282 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760358425 VZZQEYFRCXUWON-CTNGQTDRSA-N 446.640 2.448 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1760411164 FLCPCCSEOHOGBH-INIZCTEOSA-N 449.559 2.461 30 10 IEEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760422285 DWAHBMQYKQNBHF-UHFFFAOYSA-N 434.522 2.291 30 10 IEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760444137 YOSQMZUMAFZGAO-UHFFFAOYSA-N 437.541 2.480 30 10 IEEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOC(C)(C)C1 1762596836 AWNQCGISQAALAJ-UHFFFAOYSA-N 437.592 2.281 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1766615922 ARMJWARYJKEMHH-LJQANCHMSA-N 438.532 2.356 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1766648503 YHSCKEFCXHGMCC-QFBILLFUSA-N 429.546 2.421 30 10 IEEE CCn1cccc(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1766970838 IWNSKNIJUXSEFM-HSZRJFAPSA-N 440.548 2.289 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1snnc1C 1767965292 DHHSGNRQIZJGDZ-UHFFFAOYSA-N 438.561 2.217 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC[C@H]2OC)cc1 1768732933 AKDXPZAKKIIWPS-NBCNXNJRSA-N 445.495 2.359 30 10 IEEE COCc1nc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)cs1 1769378374 APZLOHMZOHEQML-IYJAJMOOSA-N 436.513 2.095 30 10 IEEE COc1ccc2c(c1)CN(c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)CC2 1770300294 REHTUPFCUIWHBS-XDOYNYLZSA-N 436.516 2.499 30 10 IEEE CN1CCN(c2ccc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)cc2)CC1 1851842153 FBMGTUKYXDGBAC-UHFFFAOYSA-N 432.468 2.313 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(CCc4ccc(Cl)cc4)C3)CO2)nc1 1852465121 OPIPWPJYGWVNKG-MJGOQNOKSA-N 440.887 2.361 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H](F)CC2CC3(CCC3)C2)C(=O)C1 1853952368 AOIPZMYRGRNJGD-KRWDZBQOSA-N 433.505 2.226 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cccc(O)c2)cc1OC 1862570668 BIFQDHYIDPDTGQ-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE CCN(CC)CCCNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931685 DSWXBXIBCAKGCQ-HXUWFJFHSA-N 442.585 2.185 30 10 IEEE Cn1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1NC(=O)c1cccc(C#N)c1 1869974658 CMHNNJKTHINKIW-UHFFFAOYSA-N 432.444 2.174 30 10 IEEE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CC 1870324711 WSWBPTJJRWDRFL-UHFFFAOYSA-N 444.557 2.122 30 10 IEEE COc1ccc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c(OC)c1 1874340512 NCTKCPZHAITVRE-BFTVFPACSA-N 447.561 2.376 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)CC1 1890839864 QXZVJWDAVKTTNK-UHFFFAOYSA-N 437.540 2.055 30 10 IEEE C=CCN(CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)C(=O)OC(C)(C)C 1985011303 MFHBYWLGSCKHSG-CVEARBPZSA-N 427.542 2.144 30 10 IEEE COc1nc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2116137663 BEOQYZIMODCIFZ-KDURUIRLSA-N 436.365 2.353 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2232320134 HCJRWMNCFOMJNK-GDBMZVCRSA-N 447.341 2.328 30 10 IEEE C=CCCC1(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2243167994 NASBDGCDTVSEMT-HNNXBMFYSA-N 427.542 2.192 30 10 IEEE Cc1nc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2255813842 WIMGQWHXOPHSBI-MJBXVCDLSA-N 449.382 2.488 30 10 IEEE C[C@@H](COCC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2256604774 GBUQMPONWGHRDL-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2256926938 CKKTWTRWCAVSFJ-CXAGYDPISA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260821980 OENQGQNLWJBRQI-FDMDGMSGSA-N 432.330 2.375 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nc(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267108511 WPHCDPVGAGJRKT-UHFFFAOYSA-N 445.329 2.493 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267147807 XMQOSXKTGJUQTI-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267198199 VEBSATYFFORAET-DZGCQCFKSA-N 448.373 2.378 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267519672 IDVCMAYXZJRPQO-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 2267524443 QCEKUVGMZXRHRP-PXNSSMCTSA-N 438.381 2.453 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267554357 ZJHWBKQZQLMGAI-UHFFFAOYSA-N 445.329 2.324 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)COCCNC(=O)OC(C)(C)C 2268640483 XENPXJXAMNPKGV-UHFFFAOYSA-N 448.369 2.486 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268645731 QMNJJFPQVPJNQQ-CABCVRRESA-N 447.341 2.201 30 10 IEEE C[C@H](C#CC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C 2302382159 CNELKHYPPLMDCX-QGZVFWFLSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2310283513 DLUGORKJWIVQKD-FXUDXRNXSA-N 436.358 2.297 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(F)cc1F 2329035212 IVOGUYOFXCABRP-ZDUSSCGKSA-N 437.472 2.428 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)cc2)o1 2330752804 QJTUXVXJTWFIKX-UHFFFAOYSA-N 429.458 2.174 30 10 IEEE COc1[nH]c(=NC[C@H]2CCCCN2C(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2339786790 RJBFKELEBUHOTI-CYBMUJFWSA-N 443.275 2.167 30 10 IEEE C#CCN(C[C@@H](NCC)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2353688398 QQHKGACZUPHERQ-CYBMUJFWSA-N 430.347 2.208 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)c1 20527433 XTYDRRWQXNEBLZ-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE Nn1c(N/N=C/c2ccc(O)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 21315680 ZLXDZSNVXFRKST-AWQFTUOYSA-N 440.514 2.484 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)o3)n2N)cc1OC 21321324 HBJVWLSKAZYCJK-AWQFTUOYSA-N 431.478 2.087 30 10 IEEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1 22628954 XEPSHDAAWYJPEP-UHFFFAOYSA-N 437.319 2.108 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)c1 58997865 ZKZULHZABKLTOP-WSDLNYQXSA-N 426.502 2.416 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n[nH]2)cn1 59886949 BSUIUZKGGLGYMC-DNTJNYDQSA-N 432.485 2.272 30 10 IEEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)c3c(Br)cccc32)CC1 105326351 ISJPXOIXMWTUDN-UHFFFAOYSA-N 426.274 2.025 30 10 IEEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1-c1cccc(Cl)c1 253575319 ULWSTXFQUCLIOF-UHFFFAOYSA-N 429.893 2.209 30 10 IEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F)c1ccc2c(c1)OCO2 254863404 OXCLQDOIDOJOCU-YOEHRIQHSA-N 434.470 2.470 30 10 IEEE Cc1ccc(CNC(=O)CON=CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 254877279 PGCXEMUQKWDCIV-UHFFFAOYSA-N 435.484 2.050 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2ccc(Br)s2)CC1 301172195 GRZHEQNOBLMQFJ-UHFFFAOYSA-N 441.376 2.352 30 10 IEEE N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1C(F)(F)F 435161972 HEEUZJQWNBSBNC-OAHLLOKOSA-N 445.463 2.369 30 10 IEEE CN(C)CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 441616260 SVJMASGJIAXRKX-UHFFFAOYSA-N 432.590 2.196 30 10 IEEE N#Cc1ccccc1OCc1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)o1 477814643 GIGMDUQUQLKGGF-UHFFFAOYSA-N 436.512 2.404 30 10 IEEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481261201 UTIBKFDNWRROGA-IAGOWNOFSA-N 443.525 2.063 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 481465724 OUBCVZJPYXQREI-WIYYLYMNSA-N 440.569 2.396 30 10 IEEE COc1cc2c(cc1OC)CCN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 487513857 LLADNJIIRKZHDL-NRFANRHFSA-N 448.523 2.487 30 10 IEEE CCOc1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] 492378294 SFPYMHGBYWOTHL-UHFFFAOYSA-N 430.486 2.372 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 508506637 FZZMTQNMDYRYEM-KRWDZBQOSA-N 431.562 2.420 30 10 IEEE C=CCn1c(Cc2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)nnc1N1CCOCC1 521940314 HOEITUBZISUQPV-UHFFFAOYSA-N 435.463 2.365 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 523338390 GNSQYEWLWNJAIB-RTBURBONSA-N 444.582 2.310 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 537393724 DWCIFLUHGBQONK-UHFFFAOYSA-N 443.569 2.167 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 554086490 KOXFJVGNGPIIOM-JTQLQIEISA-N 430.408 2.283 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3nccc4sccc34)CC2)CC1 573997302 GVNGMEVZBHDCFT-IBGZPJMESA-N 426.590 2.111 30 10 IEEE COc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccccc3)c2=O)c1 590986384 GHVZKTHCISUWJB-UHFFFAOYSA-N 433.533 2.183 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cc1 603786831 QEJGBTIPLYXLSW-UHFFFAOYSA-N 449.507 2.218 30 10 IEEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCCN3CCCS3(=O)=O)c2)c1 608785289 NUWJBUWSSUOQBY-UHFFFAOYSA-N 441.513 2.358 30 10 IEEE Cc1ccccc1CC(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 608995116 XBVFKQJRNKGPNI-UHFFFAOYSA-N 446.555 2.327 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)N4CCN(C)CC4)cc3)cc2C1=O 615191584 GQVRFHSNVHGPQJ-UHFFFAOYSA-N 446.507 2.037 30 10 IEEE COc1cccc(Cc2cnc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)s2)c1 732233632 IJOMVYCHFDZPOX-ISLYRVAYSA-N 427.486 2.390 30 10 IEEE Cn1cc(-c2ncc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)s2)cn1 732687026 OZSSAZIWZDTYAO-UHFFFAOYSA-N 433.453 2.396 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 741912724 SGIVKSKQHFHHEO-FGZHOGPDSA-N 446.503 2.435 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)cc2C1=O 742927274 LQWQVHQDKBDBLZ-UHFFFAOYSA-N 448.523 2.029 30 10 IEEE Cc1sc2nc(CCC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)nc(O)c2c1C 750393014 ZVXYLZLKJCRQTF-UHFFFAOYSA-N 430.511 2.464 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757455155 UPKHUPURBFPDLO-JTHBVZDNSA-N 448.475 2.229 30 10 IEEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@@H]2CCCO2)c1C 763436611 IQVCTFRHIIZFNQ-IBGZPJMESA-N 447.560 2.430 30 10 IEEE C#CCCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 780256360 GNFDYWKHLIKXFS-AQTBWJFISA-N 432.542 2.258 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=C3COCc4cccc(Cl)c43)nc2)CC1 794482577 QWNFDNPRNPKDQJ-UHFFFAOYSA-N 435.937 2.018 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 801469637 UUWBFWIWOYNWPZ-FUHWJXTLSA-N 430.505 2.011 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1)c1ccc(Cl)cc1 810473247 HXYDJEYMQIPWGV-QGZVFWFLSA-N 428.828 2.342 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 1136187114 LEDUJZPCYGXOIH-UHFFFAOYSA-N 447.463 2.297 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1F 1136304567 JDVVSZQTYRDCCW-UHFFFAOYSA-N 447.463 2.169 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1137551307 DUMJFAPGTSHOND-UGKGYDQZSA-N 441.425 2.392 30 10 IEEE COC(=O)[C@H](C)c1cccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1142142457 ADILWAOADVBVMK-ZIAGYGMSSA-N 429.498 2.419 30 10 IEEE C[C@H]1CN(C)c2ccccc2CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1147563644 HPXHUQSQIHFIDQ-INIZCTEOSA-N 426.542 2.372 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)Cn3c(S)nc4ccccc4c3=O)CC2)c1 1164155880 WXMGGHUALNAFMN-UHFFFAOYSA-N 433.537 2.338 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1175917941 SLMTYGDNTOPHQZ-QGZVFWFLSA-N 432.498 2.316 30 10 IEEE O=C(C1CC2(C1)CS(=O)(=O)C2)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605650 WGGRPLLVMKMOGG-RKDXNWHRSA-N 441.340 2.441 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@@H](CCO)[C@@H](CO)C2)nnc1-c1ccc(Cl)cc1 1181243966 ZEHNWIMOQYFSML-HZPDHXFCSA-N 436.965 2.326 30 10 IEEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1183836508 OZFKXNOHEJTMPC-SFHVURJKSA-N 433.574 2.039 30 10 IEEE O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273471 TZUIUDZBWVDOAP-UHFFFAOYSA-N 448.479 2.307 30 10 IEEE COCc1ccc([C@H]2COCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1227632382 MXONCLKWBISQNB-WOJBJXKFSA-N 438.484 2.182 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)NCc2nc(C#N)cs2)cc1Br 1251295355 FAFRINUANRTSBP-GFCCVEGCSA-N 439.335 2.436 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(=O)NCC2CC2)c1 1286308055 FADYCEGKMOXLCC-UHFFFAOYSA-N 446.511 2.429 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(SCC)c1 1286461761 WVEJHZLNFOWWKR-UHFFFAOYSA-N 428.562 2.155 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286545174 SSCDGYBFCQOBBE-MAUKXSAKSA-N 447.381 2.329 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286593222 KVNJXIQKFQULKK-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCN(C)CCOC)CC1 1286640024 CMJULLDPCHCGKZ-UHFFFAOYSA-N 437.552 2.046 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3[C@@H](C2)C3(C)C)nnc1[C@]1(OC(C)C)CCOC1 1286825920 ZRRXOZQNSPOQPS-FVJLSDCUSA-N 438.594 2.012 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cc1 1286958901 CHYMKLBOVWVTDK-HOTGVXAUSA-N 434.566 2.320 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1286961135 RPZADYMUTAVAMN-NYMDZQDESA-N 445.568 2.460 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)C2=O)cc1 1297333599 GIYBQTXXAABYSE-BHIFYINESA-N 446.507 2.480 30 10 IEEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(=O)OC 1299179556 SJYUFYMSJQBZSK-GOSISDBHSA-N 434.901 2.460 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C(C)C 1300606288 KZDPCIDXFVGJTE-OAQYLSRUSA-N 433.578 2.062 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(F)c2)CC1 1300717122 ZCFYAVUBOYFXJU-KRWDZBQOSA-N 443.523 2.155 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1300760392 AFWOCLZLLPDUOB-IBGZPJMESA-N 431.606 2.377 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 1300975099 RBOBYMTZHVPQKK-ZDUSSCGKSA-N 437.342 2.330 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)nc2)CC1 1301065452 FHDGVPROKUXDRY-KRWDZBQOSA-N 445.593 2.088 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(F)CCC2)CC1 1301087248 ZBDGOIICYHUICS-MRXNPFEDSA-N 427.546 2.050 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1301239832 VGLJLVIJBMJSRH-SLFFLAALSA-N 430.597 2.320 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1302098843 QYZCJCPLNKBCJS-NVXWUHKLSA-N 443.504 2.286 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CC1 1303000426 FGRXCLBJERWRTH-MRXNPFEDSA-N 435.500 2.441 30 10 IEEE COc1cccc2c1OCCC[C@H]2NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1303168690 SCILBEWWBBTIBB-QGZVFWFLSA-N 429.498 2.449 30 10 IEEE CCc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1306107709 AIIRCRILKYANGV-VVHMEEEESA-N 442.545 2.395 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1315087244 CSCNYZXFTDETNW-QFIPXVFZSA-N 425.489 2.012 30 10 IEEE CO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1315187553 HSMRBZHPMFXEQJ-UWJYYQICSA-N 430.459 2.483 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(N(C)C)CCC2)c1 1358902665 WBNIPZISKSOHRM-UHFFFAOYSA-N 446.559 2.219 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358964614 CFJINSAGJXEOIE-KRWDZBQOSA-N 445.570 2.210 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1359060637 CGISZIDIXNPTMV-SFHVURJKSA-N 443.573 2.337 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CCOC)[C@H](CC)C1 1359297662 XTCBAYRUDKMHJT-LJQANCHMSA-N 426.565 2.103 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)NC(C)C)C1 1359317066 AZOJPDVEOHPQOC-INIZCTEOSA-N 437.541 2.193 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1359469444 DXMWVEBVAWOJNX-INIZCTEOSA-N 427.505 2.244 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1359522045 KVGIBEKIOTXAAE-SFHVURJKSA-N 446.577 2.007 30 10 IEEE CC(C)Cc1nnc(N2CCc3ccc(O)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359827115 YLRYUMGXMOKHDA-QURGRASLSA-N 436.516 2.271 30 10 IEEE CC(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359907461 GCKATJGORPCDMO-HNNXBMFYSA-N 444.561 2.151 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCCNC(=O)c1ccc(F)cc1F 1435469256 BVVUUFLSBGNKOL-UHFFFAOYSA-N 433.415 2.400 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1438645021 UHIRLDQMPXZDAN-UHFFFAOYSA-N 436.537 2.420 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)c1 1439726257 ITVQDZMJMFUXFS-UHFFFAOYSA-N 442.512 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 1450835249 CJSKJLXXLZEDQA-UHFFFAOYSA-N 426.477 2.230 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1451320899 BICQCIJQUYEPKK-MHTWAQMVSA-N 432.586 2.400 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(n3cc(Br)cn3)CC2)cc1 1455542223 QDCDBULZGQWXKD-UHFFFAOYSA-N 439.335 2.029 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)CC2)c(F)c1 1464698179 AVOUJJBRGXDGJY-UHFFFAOYSA-N 428.898 2.022 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@H](COCc2ccccc2)c2ccccc2)c(=O)nc1O 1468928785 FAEAATBKGDQFRU-HXUWFJFHSA-N 433.468 2.078 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc4c(c3)B(O)OC(C)(C)C4)ccc2c1=O 1470819430 ABBBHCJBFZTCBT-UHFFFAOYSA-N 435.314 2.162 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1471521652 MNQBPZLBIUCVAO-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCc3ncc(Br)n3C2)CC1 1471593162 GYVDEXWBOXXNAY-HNNXBMFYSA-N 429.322 2.364 30 10 IEEE C#CCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1477107590 ZRCKSNXUGYYPQK-UHFFFAOYSA-N 445.520 2.483 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3=O)C2=O)cc1 1478420346 SUPUEMAGNZKNSY-UXHICEINSA-N 435.459 2.297 30 10 IEEE CC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1493470352 ONTKTAHVLBRWHZ-VZCXRCSSSA-N 438.536 2.220 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1499419635 HYZDZOQJWHSHQC-MYLKPUPKSA-N 435.532 2.415 30 10 IEEE CCNC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1502459204 RERINQQZLWKOJA-UHFFFAOYSA-N 449.515 2.264 30 10 IEEE CN1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1503678226 FOWPGRPWQHZVEH-DEOSSOPVSA-N 437.592 2.132 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c1 1504124827 LBZLXDYPHPSVPO-CQSZACIVSA-N 436.472 2.177 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1507536408 BYMADKNWZUBIEQ-UEXGIBASSA-N 441.601 2.085 30 10 IEEE C#CCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507599964 VSSDDRQRCBTBJK-GOTSBHOMSA-N 431.581 2.033 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CN(CC(C)C)CCO1 1507603718 SYLBSOIZJMJINT-QGZVFWFLSA-N 449.397 2.472 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cn2ccc(C)cc2n1 1507714348 NFUXJEUQKVKIRY-RXVVDRJESA-N 438.532 2.093 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C(C)C)CC1 1507721443 PBOBVXSVNQOPSW-UHFFFAOYSA-N 433.564 2.358 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCOC)CC1 1507726760 LPUWFVRGDBSMSI-UHFFFAOYSA-N 448.365 2.411 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 1507853155 APHWWKAICIQHLJ-FQEVSTJZSA-N 435.532 2.232 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507878098 SINAAHQTPPVNNS-HRAATJIYSA-N 432.546 2.045 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1507915088 STFFNZRRQMIZEG-QZTJIDSGSA-N 427.553 2.242 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1508041345 MTNNJTBOBIMZAA-LJQANCHMSA-N 435.532 2.317 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508702500 SYPMCHVEMPLPSQ-INZIPBBXSA-N 444.561 2.212 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc(N(C)C)c(F)c3)CC2)c1C#N 1511661771 FJPILYWZYBCOMM-UHFFFAOYSA-N 437.527 2.080 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CC1 1512365451 HPCUYSIKQFPJPC-WAIKUNEKSA-N 438.580 2.404 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C#N)CC2)CC1 1515900310 RTZBNKHTRFKETG-KRWDZBQOSA-N 442.637 2.400 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1519165251 YXPZSVOAEPDQQO-UHFFFAOYSA-N 444.503 2.243 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1519331499 VXWKYUDGVPQOBR-UAFMIMERSA-N 448.612 2.487 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cncc(N3CCCC3)n2)cc1 1534147399 YFNGTZSTCHBNRQ-MOHJPFBDSA-N 428.518 2.142 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1535780413 IUUWTHGNXRLHTM-UHFFFAOYSA-N 441.509 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1cc(F)ccc1N1CCOCC1 1538972226 JUSPNJXVWKQPBN-ROUUACIJSA-N 445.539 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1c(OC)cc(OC)cc1OC 1539312119 IUICAKNGMPHJQX-UHFFFAOYSA-N 446.511 2.467 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC=CO2)n1 1539424927 YNJGUEFAVRBTTA-TZIWHRDSSA-N 440.548 2.348 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1539429974 FMENQPQOWKOJCS-VGSWGCGISA-N 445.564 2.180 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)cnc2Br)CC1 1539703042 VKPYSGBCUWWZKB-UHFFFAOYSA-N 429.112 2.208 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539793463 FOFPFKLOXLVWBB-UHFFFAOYSA-N 431.972 2.391 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)cc1C 1542483076 KNJSOTYGJICOOI-LJQANCHMSA-N 431.562 2.318 30 10 IEEE CCCNc1ccc(C#N)cc1NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1543959714 CQQBQHKHMGQJOB-GOSISDBHSA-N 436.921 2.311 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1545057964 CDORPFPIKMIIFI-QGZVFWFLSA-N 426.521 2.116 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)ccc21 1556219720 LRFAYNJIFQONQN-LSDHHAIUSA-N 443.447 2.431 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1557048784 MMMWJFMSVYCMHQ-NVXWUHKLSA-N 435.546 2.021 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1558632557 GOALJEARDFQTRP-SBUREZEXSA-N 446.523 2.402 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 1583811258 AOVQAAYWYZNXSX-JOCHJYFZSA-N 436.512 2.004 30 10 IEEE N#Cc1cc(C(=O)N2CCn3ncc(I)c32)cnc1C(F)(F)F 1587397765 SICRPTOEPFUWJI-UHFFFAOYSA-N 433.131 2.434 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587777865 UAAVWHFSEBKLOM-KRWDZBQOSA-N 426.546 2.207 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1587804010 RJAJIEOBKDBBHY-UHFFFAOYSA-N 438.580 2.343 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588035273 QIOKGDKHASYCCZ-SFHVURJKSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588046038 WBWPCJYDXUMPRV-CVEARBPZSA-N 434.949 2.262 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1588050720 UVZHBRYPQQLDAL-KRWDZBQOSA-N 431.587 2.338 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCSC2)n1 1588722959 IPBRDHVRINWOME-RTBURBONSA-N 444.605 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCCC2)CC1 1588913771 QGXJVCWUGWILKH-UHFFFAOYSA-N 425.508 2.355 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1593711768 IRQBTFDDBREKQG-UHFFFAOYSA-N 429.546 2.423 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593859436 XCSMBBMNDUPCBR-HNNXBMFYSA-N 430.896 2.179 30 10 IEEE C=C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1594114598 FYHXQTXCEJXDJE-UHFFFAOYSA-N 438.557 2.377 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)on1 1595262052 ZBXYPZWVAWFDEU-MRXNPFEDSA-N 431.518 2.353 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1COCCO1 1595275707 MHROPIFYMLXZLU-OAHLLOKOSA-N 440.342 2.100 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(C)C)CC1 1595497377 ZMFRPICIIQNZBQ-UHFFFAOYSA-N 427.509 2.122 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2C)C1 1595674070 MDMQSBSAISQEPZ-HKUYNNGSSA-N 433.578 2.335 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)C1 1595722781 NCSDZHMZPSZIQB-HOTGVXAUSA-N 438.500 2.288 30 10 IEEE C#CCN(CC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)C(=O)OC(C)(C)C 1597756553 IEURPVCRTSXQHA-IBGZPJMESA-N 429.517 2.082 30 10 IEEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)C1 1598207846 FUORSSQMUHRYAP-UHFFFAOYSA-N 430.482 2.236 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCc2cnn(C)n2)CCOC1 1610465261 PBZQEEIAKUZHGV-VXKWHMMOSA-N 442.568 2.210 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)[C@H]3COCC34OCCO4)ccc2c1=O 1611434807 ZUHOXNKEGZNQAL-QGZVFWFLSA-N 445.541 2.017 30 10 IEEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c(Cl)cc1F 1614780720 ARVXLOMTOCCFQN-UHFFFAOYSA-N 435.839 2.207 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)s1 1617592211 PMJDNHAAEYBXOA-HNNXBMFYSA-N 441.619 2.156 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)cn1 1618390890 KPOJZSVSJMZUFR-HNNXBMFYSA-N 438.492 2.295 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1618632963 IFYYKHWRRCAULO-WTPASJBYSA-N 440.573 2.080 30 10 IEEE COCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619842846 OKJAWQFNBLKORW-INIZCTEOSA-N 448.369 2.259 30 10 IEEE C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1620318499 JNAZFMYWYLLPPJ-OKILXGFUSA-N 426.502 2.396 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 1621832112 FWPAVRMTJBFKBE-GFCCVEGCSA-N 447.257 2.317 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O 1624178257 IXRSGWFBVUJLMJ-SJLPKXTDSA-N 433.530 2.086 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1635342928 JHEZREXEDMLSQJ-QGZVFWFLSA-N 432.498 2.316 30 10 IEEE Cc1c(C(=O)N2C[C@H](c3cnn(C)c3)C[C@@H](C(=O)OC(C)(C)C)C2)cnn1CCC#N 1635934686 ZNLVQEKSNFJPSF-IAGOWNOFSA-N 426.521 2.426 30 10 IEEE CS(=O)(=O)NCc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1636192891 DERQRFRZDVBBQO-UHFFFAOYSA-N 428.514 2.401 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2N2CCOCC2)c1 1637005158 DFNMTVULHXQTJQ-UHFFFAOYSA-N 426.538 2.293 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C1 1640218647 JGRNZSBCOOTZDL-OAHLLOKOSA-N 426.278 2.109 30 10 IEEE C=CC1(CC(=O)N(CCN2CCOCC2)[C@H]2CCSC2)CN(C(=O)OC(C)(C)C)C1 1641758305 OUDWUIHKLHDJGD-SFHVURJKSA-N 439.622 2.466 30 10 IEEE C#CCN(CC(=O)Nc1cc(-c2ccc(OC)cc2)nn1CCO)C(=O)OC(C)(C)C 1651054367 XLHBVTCVDGYCJG-UHFFFAOYSA-N 428.489 2.360 30 10 IEEE COC1(OC)CCOC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1654676917 SFWOMMHJCIDUAL-IBGZPJMESA-N 430.480 2.411 30 10 IEEE CN(C)C[C@H]1COC2(CCCC2)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1655094501 XPDXRZQHKPNLBF-VQTJNVASSA-N 445.633 2.032 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C)C1CCOCC1 1663233540 AQNPBYYHGGFIIL-OAHLLOKOSA-N 429.336 2.423 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)C1 1666632315 GYVQHEWLHGJYAP-SFHVURJKSA-N 436.578 2.335 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)cc1 1670909890 GUGDUBFEHDFUQS-UHFFFAOYSA-N 443.525 2.264 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)c(OC)c1 1682389716 PCXSRIYWIGDSAH-PZJWPPBQSA-N 434.496 2.143 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)CC2)c1 1683532672 CUXFKRJSHDFKGL-PSWAGMNNSA-N 426.561 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1689830459 ADCUZIBAEKEEAE-AJUUGJASSA-N 430.574 2.315 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1689866902 MVYIKGNUURSZHD-DFBDCSAJSA-N 433.553 2.047 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@](C)(O)CCOC)c1 1689870350 KYAUDWGIAQWTSP-XMMPIXPASA-N 448.527 2.184 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cccn(CC)c2=O)c1 1689873281 CTCMETRYRMRLDP-UHFFFAOYSA-N 448.527 2.101 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689993375 BRZPDNTZESWYRZ-KRWDZBQOSA-N 431.562 2.155 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@H](CO)O1 1690035562 CULQEGFBZKVHPB-JKSUJKDBSA-N 432.322 2.039 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C2OCCO2)c1 1690057833 JTIOFVBTMAVHJM-UHFFFAOYSA-N 432.484 2.479 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1690081748 WZBDVRGMJYTCNV-UHFFFAOYSA-N 444.586 2.050 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCN(CCC)C2)CC1 1690131038 SHCISHGUNZXALP-JOCHJYFZSA-N 436.604 2.387 30 10 IEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1690308326 KMKPLJFFOLTITI-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N2CCOCC2)n1 1690513730 HOKFSUJCVZCLOU-UHFFFAOYSA-N 427.553 2.099 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1691315861 WECQAHBHKTZVSB-QGZVFWFLSA-N 426.521 2.246 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1692852818 HSNWHVZEZMHCOU-LJQANCHMSA-N 449.559 2.213 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693940848 GRSXBLRPFKFOQS-LTMIRXACSA-N 439.564 2.172 30 10 IEEE CC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1694022019 YOLDFXFIEYSQGK-OPAMFIHVSA-N 430.503 2.485 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCn1cncn1 1698176417 CCNKHQCCAPCWJK-SXLOBPIMSA-N 436.520 2.037 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705507425 AWQBBWNLSCKVCW-UHFFFAOYSA-N 428.497 2.166 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1705508087 JEAREJSKQHZVIM-MRXNPFEDSA-N 442.951 2.332 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2CC2(C)COC2)n1 1705631871 RJMMKJRCWJZVFJ-UHFFFAOYSA-N 445.527 2.336 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705820907 DCJYQVIBLDBYNU-DENIHFKCSA-N 437.592 2.219 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(N)=O)CC2)cc1 1705910674 JTFSFQCIOUWIML-UHFFFAOYSA-N 449.559 2.455 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](C)OC 1712556813 DBIFCZSSWMSYDV-IAGOWNOFSA-N 446.527 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)CC(F)(F)F 1722281502 ITKJXYYXDZAKMS-OAHLLOKOSA-N 447.469 2.263 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccccc1N1CCOCC1 1722424432 MTVAZYNLLITFSD-UHFFFAOYSA-N 434.544 2.255 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(C)c1 1722429149 OIEYCJZZPFUEOZ-RBUKOAKNSA-N 446.573 2.042 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1722508063 KFTUEZYZAOSFAH-HCXYKTFWSA-N 438.594 2.167 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722702432 KPFIDJJBJMPUPE-IIAWOOMASA-N 445.486 2.266 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1723056591 PBWSRSVUOICYRZ-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1724325247 MGBSPGXZTDBLHS-BWVDKLOVSA-N 440.504 2.234 30 10 IEEE CCOCc1nnc(N2CCCC[C@H](SC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1729053356 RVKULIXWOICVCG-MJWGMMHASA-N 434.566 2.063 30 10 IEEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOCC(F)F 1729589140 SHWPCWCLCKJYHX-UHFFFAOYSA-N 443.458 2.490 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1ncn(C)n1 1730825905 PEAWATCLLXUXOV-QGZVFWFLSA-N 448.531 2.344 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1740552052 MYKJBOFGDBXVJJ-NLWGTHIKSA-N 433.622 2.435 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740623919 AACDPQCLMUFDQR-YZGWKJHDSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@]1(N2CCOCC2)CCSC1 1740635441 JMSMNVDNCVLYHC-JOCHJYFZSA-N 425.558 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC)OC)CC1 1740701465 IESKEOQLSKSFHG-KRWDZBQOSA-N 430.940 2.384 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740735191 LCADBNPCVHRFHA-XMMPIXPASA-N 437.592 2.392 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)c1ccccc1 1740796835 FSIWHDLYAIFFIH-SXLOBPIMSA-N 445.589 2.465 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1741657856 HPQZWPKKBUDIBM-QFIPXVFZSA-N 439.495 2.033 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nnn(C)n1 1748951349 UBTKLKJKODBKPJ-UHFFFAOYSA-N 442.936 2.471 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC=C 1749058374 GOHIMJQOMKDNPN-HXUWFJFHSA-N 429.502 2.446 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1749180513 CQRQPLPBSFMAPU-DENIHFKCSA-N 427.505 2.149 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749234872 KNQLTLCBVBZJEQ-LJQANCHMSA-N 430.597 2.304 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749366944 NGYFOLSALXEZHX-LJQANCHMSA-N 430.597 2.129 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1749457921 WNXJUIWICJEXCA-IBGZPJMESA-N 427.553 2.243 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1749573243 BFOZUOWUDLSJII-HOTGVXAUSA-N 442.486 2.061 30 10 IEEE COCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1749667989 VQMYRKFDWDWEBT-IBGZPJMESA-N 435.529 2.107 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749699183 IEHGFHOLMDXKKM-UGKGYDQZSA-N 437.592 2.458 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749714532 GEKGCABLWHRFPP-UHFFFAOYSA-N 431.500 2.211 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 1749736899 RXGPPQAXJFGQOL-UHFFFAOYSA-N 447.605 2.009 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1751165652 BHSSIBJNLBKCJX-QGZVFWFLSA-N 436.520 2.174 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1751690465 GNBKAZQFWRLZGA-VXKWHMMOSA-N 438.576 2.143 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCn1cc(CO)nn1 1760106632 FPRIVPZCKYHORS-AWEZNQCLSA-N 444.337 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[C@H]1CCCCO1 1760199571 ZUSYDFFTMFGUNZ-OAQYLSRUSA-N 430.516 2.343 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC(=O)N(C)C)CC1 1760254259 SCCWZRKYXKBQKC-GOSISDBHSA-N 442.539 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N(C)C)cc2C)CC1 1760273509 WVFQJZIKJHWPAW-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760314544 WYNXRAMUQGXPTA-JYBIWHBTSA-N 449.596 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)OC1CCCC1 1760317038 ZYCZWEULVHTUDT-ZOBUZTSGSA-N 427.571 2.180 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1760515226 SIYJWXINWSDXBA-INIZCTEOSA-N 426.521 2.022 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3sccc3C2)C1 1760535445 REZCQRYQTFZXND-GOSISDBHSA-N 444.605 2.317 30 10 IEEE Cc1ccccc1-c1nnc(N(C)Cc2ccon2)n1CCN/C(O)=C1\N=CC=CC1=O 1762046552 GJOPDKFIYOBRDC-XUTLUUPISA-N 433.472 2.404 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1763081558 IDCCSVNLRKRFCE-AYAKEVCGSA-N 449.540 2.285 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763957425 KNVWUWSJRCHCCB-BKBKCADHSA-N 436.516 2.477 30 10 IEEE CNS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1767860775 DDXHFEOGCPPLDL-OAQYLSRUSA-N 442.589 2.427 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)c(OC)c1 1769983177 GFKQTUJTXVRPTB-KDOFPFPSSA-N 426.521 2.473 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1771030586 WPILBZRKTHXBJV-WOJBJXKFSA-N 438.532 2.403 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(SC)CCN(C)CC1 1771112274 JXOYPUGBEKLSFZ-GOSISDBHSA-N 436.626 2.366 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C)n(C)c1=O 1771293225 GRYSYLXROMREOY-PMACEKPBSA-N 440.548 2.188 30 10 IEEE Cc1noc(-c2cccnc2-n2cnc(C(=O)N3CCC(N4CCC(C#N)CC4)CC3)c2)n1 1851052335 XIHAPMFLJRBHAB-UHFFFAOYSA-N 446.515 2.466 30 10 IEEE N#C[C@@H]1CN(CC(=O)N2CCN3C(=O)c4ccccc4[C@]23c2ccc(Cl)cc2)CCO1 1851246927 VYXBKFBBJBPFPI-WZONZLPQSA-N 436.899 2.063 30 10 IEEE C[C@H]1CCc2nn3ccnc(N4CCN(C(=O)COc5ccccc5C#N)CC4)c3c2C1 1851989895 GQXOZZFHPKSYJB-KRWDZBQOSA-N 430.512 2.453 30 10 IEEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1853207097 AGRPQSXVIBOJMR-NRFANRHFSA-N 427.526 2.089 30 10 IEEE CCCc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853948317 HSGULZPZLYJJNA-UHFFFAOYSA-N 425.510 2.113 30 10 IEEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 1855491971 OMUKYPBWGAPQMD-CABCVRRESA-N 428.480 2.242 30 10 IEEE N#Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCCS3)C2)CC1 1857249572 SXGVMWPPCQUBSW-MJGOQNOKSA-N 428.558 2.315 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCc3ccco3)cc2)c1 1858651278 LPWHJVRJFNEQHK-UHFFFAOYSA-N 438.465 2.269 30 10 IEEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(O)c1 1862626592 CXADLOISPVNVHM-IBGZPJMESA-N 427.409 2.441 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(F)c1 1862749044 PDCPXQMGVYOBKQ-GOSISDBHSA-N 427.388 2.448 30 10 IEEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870109425 UILKKRSVALTTGE-HNNXBMFYSA-N 448.414 2.027 30 10 IEEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(COc2ncccc2C#N)CC1 1892079060 BIYNCVZAVYBEEF-UHFFFAOYSA-N 432.458 2.350 30 10 IEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1964763510 IQIAKGLCIIEHSP-MVBMGLOESA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060620686 DLUGORKJWIVQKD-ZJIFWQFVSA-N 436.358 2.297 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(=O)O 2180149711 RIEUAHBKDIXRMH-HUUCEWRRSA-N 439.306 2.478 30 10 IEEE C=C(C)CN(CC)C(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195284913 GKFBDHUUKQBAHF-YVGXBJCXSA-N 438.546 2.318 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243389304 IEPMGJRIGNAXPX-VXGBXAGGSA-N 425.360 2.474 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2244373919 RJCYNCBOJMEKLM-QVKFZJNVSA-N 427.542 2.286 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2247824158 UURDPVIWJMLHDG-STQMWFEESA-N 437.371 2.394 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCCNC(=O)OC(C)(C)C 2247920461 YWCUJUHMXVTURX-UHFFFAOYSA-N 441.359 2.327 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247928208 YOBVPVJQTUPZGG-QWHCGFSZSA-N 438.355 2.069 30 10 IEEE Cc1c[nH]c(C#N)nc1=NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2250348695 HCNCKTCUAWAHFK-UHFFFAOYSA-N 432.525 2.347 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCOCC23CN(C(=O)OC(C)(C)C)C3)C1 2255198167 SXVUJYZGAPZFMP-UHFFFAOYSA-N 449.548 2.141 30 10 IEEE CCC[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255541530 CUNCKSPMJMXVKC-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2255619795 SHSUBUDDQKNXPK-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626784 KMNWBZAYWIJRKP-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255632753 QWXICKBCJMOGKP-CQSZACIVSA-N 434.346 2.180 30 10 IEEE COc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255802645 BTEIOQSACCRTFP-UHFFFAOYSA-N 447.362 2.490 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 2255873556 LODVRHUUQUXSLR-MRXNPFEDSA-N 433.358 2.454 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2255874047 QPSNSVDENYPBQV-YSVLISHTSA-N 431.342 2.062 30 10 IEEE CC1(C)C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267140172 AUNJLLKTVPNIJM-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE C[C@@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267270298 KPQWRVOPDPMINV-MRXNPFEDSA-N 448.369 2.334 30 10 IEEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)ccc2F)OC1(C)C 2267453943 QXYSTFPQVDXGBU-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)n1 2267524476 QMYLQCIFNOBUIG-QFIPXVFZSA-N 448.373 2.332 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268707674 VBWDVQVWJFFJSJ-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@H](CF)C3)cc2Cl)OC1(C)C 2282306805 SHUFFZHWXBUXDF-SNVBAGLBSA-N 425.740 2.060 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334469360 NLJCPZNDRJPVLG-QGPMSJSTSA-N 443.353 2.427 30 10 IEEE Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33811862 GWRHBXWVAJAZSN-XNTDXEJSSA-N 446.554 2.232 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCN(c2ncccn2)CC1 63401297 OQWDTVPQGYKMGU-UHFFFAOYSA-N 439.520 2.295 30 10 IEEE CS(=O)(=O)Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 109934517 ROLZVIASAPZFCX-GOSISDBHSA-N 429.523 2.257 30 10 IEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208072083 VPFMMCOXIYXCSY-OAHLLOKOSA-N 434.346 2.288 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3I)CC2)o1 428132364 UIHSDURHDWWEPY-UHFFFAOYSA-N 435.221 2.354 30 10 IEEE CC(C)CCN(C(=O)c1cc(C#N)cn1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 433499221 YQIIVJHGBKAWHQ-UHFFFAOYSA-N 434.500 2.482 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 468596584 BUMSXLBFNYTLBG-FUHWJXTLSA-N 440.500 2.344 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC(O)(C(=O)OCC)CC2)nnc1-c1ccco1 482105392 QDMCMKIQYYNPJX-UHFFFAOYSA-N 434.518 2.123 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)C2=O)cc1 487499140 LKHNADBTEHOCQB-RTWAWAEBSA-N 431.496 2.154 30 10 IEEE C=CCN(C(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1nc(C(=O)OCC)cs1 501909148 AWQFFUHCOCRRBV-UHFFFAOYSA-N 434.499 2.204 30 10 IEEE CC1(C#N)CCN(C(=O)C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC1 505015044 VEJPGTVSMNCDHW-UHFFFAOYSA-N 431.294 2.180 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2c(C)cnn2C)c1=O 505700372 OPLCKKIZZRUOSX-UHFFFAOYSA-N 446.454 2.376 30 10 IEEE Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 505903238 NPNNVGWPZLWKCD-UHFFFAOYSA-N 440.511 2.442 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 508252292 AMADPRVWUIMIBN-FOIQADDNSA-N 426.904 2.350 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508818356 SMUYJAYAIUGHNZ-OAQYLSRUSA-N 428.924 2.154 30 10 IEEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546197962 OEHUENJOLVFAJV-FQEVSTJZSA-N 437.569 2.462 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 561995867 CVZKTOIAJRDTAN-KRWDZBQOSA-N 425.938 2.195 30 10 IEEE CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(Cc2ccc(C#N)cc2)CC1 590568365 DXCNQYUURDILPR-UHFFFAOYSA-N 443.529 2.477 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)ccc1Cl 603956188 BSGBNXDONBKXKA-UHFFFAOYSA-N 438.981 2.214 30 10 IEEE COc1cc(CNC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)ccc1C#N 619652517 RQHWGHKOZTYFAE-UHFFFAOYSA-N 442.541 2.468 30 10 IEEE C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 619674881 MEVHQPWYZGJVDP-QGZVFWFLSA-N 444.532 2.223 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(Cl)cc1C#CCO 703982229 YZDBFZDITFGICR-UHFFFAOYSA-N 432.885 2.112 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccc(F)cc3)sc(=Cc3ccoc3)c2=O)cn1 727418645 VELUOTJNRFGXOG-UHFFFAOYSA-N 434.452 2.233 30 10 IEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c1C 728557349 KDKBDXYBVYSZAE-SFHVURJKSA-N 427.570 2.255 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCN(C3CC3)CC2)C1=O 730139500 BUIVPILDWNPRFR-FQEVSTJZSA-N 443.617 2.313 30 10 IEEE CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 732402490 SJSYWYJNYYZPSZ-UHFFFAOYSA-N 438.440 2.203 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccc(C)cc3)c2=O)cn1 735069605 XQCGZGBSUDLYCQ-UHFFFAOYSA-N 449.580 2.089 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC2(O)Cc3ccccc3C2)c1 738905964 OCNBIGAJLGDZLF-LKUDQCMESA-N 442.541 2.151 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 739049517 PHKUEBOWODWJSQ-LKWMDPEUSA-N 449.577 2.445 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(C(F)(F)F)c1 741341165 ICQCXCHRIIPIQB-YFUPBZDXSA-N 425.363 2.492 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(F)(F)F)c2ccccc21 746535565 VLDIEYKHLHEOLG-UHFFFAOYSA-N 438.431 2.141 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C#N)cc1C 748402786 SHSSWFDWGZKHFR-AWEZNQCLSA-N 445.497 2.310 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3cn(-c4cccc(C)c4)nn3)cc2C1=O 752528447 DJZDLWAFJFSBLT-UHFFFAOYSA-N 430.420 2.397 30 10 IEEE C#CC[C@H](NC(=O)c1n[nH]c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1)C(=O)O 757275272 HKWPQZOIGBNJDW-SFHVURJKSA-N 445.435 2.372 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)cc1 764563221 WNTCFDPOFURZAG-LJQANCHMSA-N 432.484 2.278 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 777320416 YXQDWCSVLAFULQ-INIZCTEOSA-N 437.518 2.088 30 10 IEEE C=CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCCO2 779754967 RDAPMFKCZKZMMH-SFHVURJKSA-N 431.514 2.261 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1Cc1ccccc1 782622931 CVLRYOWATCYBOT-UHFFFAOYSA-N 448.573 2.097 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC3(C#N)CCOCC3)CC2)cc1 783432040 UDSRMTVDYMSAIT-UHFFFAOYSA-N 434.514 2.153 30 10 IEEE COc1ccc2nc(C=c3sc(=C(C#N)C#N)n(-c4ccccc4C#N)c3=O)sc2c1 788766733 SMYQBMKMVPNSFE-UHFFFAOYSA-N 441.497 2.416 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C)c1ccc(F)cc1 794894489 YJEDJHCTSYLHQT-NRFANRHFSA-N 431.533 2.468 30 10 IEEE C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1nnc(-c2ccc(F)cc2)o1 795324812 TUYBUVISTKOPLV-GFCCVEGCSA-N 430.417 2.330 30 10 IEEE C[C@@H](C(=O)O[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)n1cnc(C#N)n1 798743146 ZLNPLCWCIBCDRE-VBKZILBWSA-N 433.424 2.040 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC1=CCCOC1 807930653 TWKDEDOOCZWOMA-IBGZPJMESA-N 430.574 2.341 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)OC)cc1 821992326 QBJFUEONYDVWJE-GOSISDBHSA-N 443.525 2.387 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)c(OC)c1 1084473737 KOIBMXSXHDTDMC-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE CCOC(=O)NC(=O)/C(C#N)=N/Nc1cc(Cl)c(OCCOC(C)=O)c(Cl)c1 1088670293 ZBIVQVZSSAOPLM-LPYMAVHISA-N 431.232 2.499 30 10 IEEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OCC 1140929214 CZYCXXXZFNGBGA-HNNXBMFYSA-N 443.953 2.150 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccnc2OCCO)c1 1141878157 OUKVABQKIHYYNW-LYBHJNIJSA-N 446.529 2.298 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3C[C@@H](N4CCOCC4)C3(C)C)C2)C1 1164314468 SYRAOTFIBVGXFG-BXMIMIDPSA-N 446.592 2.389 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)CC1 1196790322 SSRYWYINNDOFJU-RCZVLFRGSA-N 446.530 2.487 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)C1CCOCC1 1205523117 OUQRITGOCKTRJZ-MRXNPFEDSA-N 435.427 2.238 30 10 IEEE Cc1cc(NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c(C#N)cc1N(C)C 1205941914 IFJFOGBOTSOJSA-UHFFFAOYSA-N 429.493 2.319 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@@H]3CCCC(F)(F)C3)CC2)cc1 1208271073 DJDIONRKZVQPGT-MRXNPFEDSA-N 447.529 2.020 30 10 IEEE O=C(NC[C@@H]1CCCS1(=O)=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1228370982 RJEHATUDXSKCDS-DJLDLDEBSA-N 444.344 2.376 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1286296981 UCRIUDJWUYYMQU-BRSBDYLESA-N 433.553 2.469 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1CCN(Cc2cccs2)CC1 1286378999 BHYDLFHMEICOAY-UHFFFAOYSA-N 426.590 2.444 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1286389164 GRMIKOJTONJRGM-PXNSSMCTSA-N 434.587 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(N(C)C)nc1 1286429175 DLDSDSQIDWDWIS-UHFFFAOYSA-N 438.539 2.489 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1286447845 NTKXHBRTMPZZMD-LJQANCHMSA-N 444.580 2.308 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1N1CCOCC1 1286464813 FIQHTTLOOFWLQY-QFIPXVFZSA-N 439.560 2.491 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1286467865 VNNUJZOPYNIHBF-SFHVURJKSA-N 438.507 2.436 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1286500619 ZSYRTANYAJDBTE-UHFFFAOYSA-N 441.557 2.345 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(OC)C1 1286610902 BTNDSCXPOLPOLB-UHFFFAOYSA-N 427.553 2.270 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1286703999 WEJXRZXAWIKDFC-KRWDZBQOSA-N 442.568 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1286784859 WFJIKLUIXQKYGK-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1ccco1 1286787616 XJPINISDPDDVAC-OAHLLOKOSA-N 447.499 2.285 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1286791475 TXIYBTGBCSQLHI-UHFFFAOYSA-N 440.596 2.481 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C1 1286812237 MPVDRANZGWNKCB-IBGZPJMESA-N 443.573 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccccc2)C1 1286814398 RKKPLZCNDPUGGB-IBGZPJMESA-N 443.573 2.109 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)c1 1289319693 BYGDNLNLPLOBKY-SFHVURJKSA-N 446.577 2.105 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(OCC(N)=O)c2)cs1 1290382046 QHSUYKOUNYGQHK-AWEZNQCLSA-N 439.545 2.285 30 10 IEEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1294666615 HPHOQTGHGWWLRY-LJQANCHMSA-N 442.589 2.029 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1300403592 NQAHRIDNECYCMN-INIZCTEOSA-N 446.433 2.373 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC(F)(F)CO1 1300511163 GEJXZACZPRKHCY-MRXNPFEDSA-N 446.454 2.468 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC=CCC2)n1 1300681304 MCBHAZJPWZWNGG-UYAOXDASSA-N 437.548 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)CN(C)C)CC1 1300721991 FFKAWSHXOXWIAM-LJQANCHMSA-N 430.597 2.073 30 10 IEEE C=C(C)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300965809 ZYQTYBACROGIRB-FQEVSTJZSA-N 426.583 2.298 30 10 IEEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301306055 XHOPXDGOANCTMV-INIZCTEOSA-N 428.562 2.254 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)OC)C1 1301544219 UNAPIWPEWNCEFN-RDJZCZTQSA-N 448.593 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC([C@H]2CCOC2)CC1 1301586146 DQOIBNNXLOOGMP-FQEVSTJZSA-N 445.589 2.118 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccco1)N1CCCC1 1301970560 GSPOBPRQEISHQI-ZWKOTPCHSA-N 425.537 2.426 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1302459270 DFBIDCSWPQHFTF-XLIONFOSSA-N 443.573 2.381 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N(C)C 1303887187 GKUQCILCQOHJRX-CABCVRRESA-N 438.529 2.187 30 10 IEEE CCC1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1306378856 UFXQHYBLYPBISN-QURGRASLSA-N 435.532 2.417 30 10 IEEE COc1cc(OC)c2ncc(C#N)c(N3CCc4sc(S(N)(=O)=O)cc4C3)c2c1 1307168040 AXYULEBUHMLBMH-UHFFFAOYSA-N 430.511 2.395 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nnc(C)n3C)CC2)n(-c2ccccc2)c1C 1307986634 BUCJLUXQPDNGKO-UHFFFAOYSA-N 432.532 2.163 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)C1 1315108888 SAAKYMMTDDJKAQ-HNNXBMFYSA-N 437.456 2.378 30 10 IEEE CO[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315728088 YYQZWYNVMAWFCG-VGVBMJIYSA-N 428.537 2.323 30 10 IEEE COC[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1315787969 YBBJEHXDYHBXPL-GOSISDBHSA-N 432.532 2.140 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CC[C@H](CO)O1 1316099305 WWEXSFLTLQYNRU-RBUKOAKNSA-N 436.516 2.400 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1316233045 GVLSTESCAGURCI-NFBKMPQASA-N 441.532 2.254 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2=O)cn1 1350516811 RWOBDEQBFITOPN-IBGZPJMESA-N 429.480 2.316 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN2CCCC2)c1 1358903354 TZMVSKJUTLBJNI-UHFFFAOYSA-N 443.555 2.416 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1358969539 QZMRKPZENUOCLK-IEZWGBDMSA-N 429.521 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1359023402 JJUFFBJKSRXDOK-UHFFFAOYSA-N 437.592 2.217 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359034983 IFWPGJZXJDAXIQ-YADHBBJMSA-N 428.625 2.295 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@@H](C)C1 1359055215 WNTANXUBYGFDPK-INIZCTEOSA-N 448.618 2.220 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1359138924 HLIKWENBFIGSAN-VAMGGRTRSA-N 426.517 2.246 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359152599 BXHVADQOCUHPIP-KRWDZBQOSA-N 439.969 2.046 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1359300609 GOTFILWPBJOVCB-UHFFFAOYSA-N 440.596 2.409 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1359835964 PWMXOQLTPNQOJN-IBGZPJMESA-N 429.517 2.114 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)s1 1445182478 IHKDINZTAYMHBX-HOTGVXAUSA-N 427.592 2.003 30 10 IEEE C=CCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1 1449229678 YKOWZRQBGKQHCN-UHFFFAOYSA-N 436.555 2.388 30 10 IEEE COC(=O)[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc(OC)c(Cl)c1 1460078498 QZIKELQTXRYYFM-LJQANCHMSA-N 426.856 2.452 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1460700176 AEZDXRRRBPXVCB-HXUWFJFHSA-N 425.577 2.436 30 10 IEEE CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CC[C@](O)(CC#N)C1 1469405144 JSYSYJLXIUKGIO-XMMPIXPASA-N 433.464 2.372 30 10 IEEE CN1C[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](c2ccccc2)C1 1470033971 VDCYZNMIQGLRGP-XPWALMASSA-N 431.540 2.304 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)CCOC1 1470264789 HKGUASKWFPKYKJ-XMMPIXPASA-N 434.496 2.392 30 10 IEEE C#CCN(C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 1471173752 SPYRLPSKCUEPTR-DZKIICNBSA-N 441.347 2.493 30 10 IEEE Cc1c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cnn1-c1ccc(F)cc1F 1472590667 JUZIABSHPVTHDO-UHFFFAOYSA-N 431.424 2.248 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](CC(C)C)N(C)C 1503103249 HFEUBPXXSSWJLM-HXUWFJFHSA-N 440.596 2.384 30 10 IEEE N#CCCN(CC1CC1)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1505326685 PWYCBSYSMQFBSA-UHFFFAOYSA-N 444.486 2.136 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)COCC2)[C@@H]1CCS(=O)(=O)C1 1507623187 PMOLNHNPBRVEIH-HXUWFJFHSA-N 442.585 2.323 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507625700 KVMAWBCPZCDUCI-FGZHOGPDSA-N 441.601 2.124 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCOC1 1507702295 ICEXNLLYFFNAIN-XXBNENTESA-N 428.533 2.272 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)NC(C)C)CC1 1507892062 JHOLFKAIMOPSBF-UHFFFAOYSA-N 449.577 2.350 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507968301 RDFFATMEHNMUPP-HXUWFJFHSA-N 437.548 2.358 30 10 IEEE CC(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1508885447 CKOOWPWYRLHBDL-UHFFFAOYSA-N 428.562 2.335 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H](C)O1 1514184897 SHZOVCAMTUZXKO-QRFRQXIXSA-N 427.505 2.148 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1517351931 USCDDIFJGHVVPY-LJQANCHMSA-N 429.546 2.257 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)C1 1519507851 GVKUOVOOZWHABI-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CC1CCN(S(C)(=O)=O)CC1 1534560054 QRPXRPNZXVCQKK-UHFFFAOYSA-N 431.308 2.296 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(C)(=O)=O)cc1 1539037096 BTNLYUWRKUCIAR-KPFFTGBYSA-N 446.573 2.106 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1539213114 WAFJWBQFPMCVCT-INIZCTEOSA-N 431.905 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(CC)noc2C)CC1 1539481886 PLBSFODAXPJTPE-GOSISDBHSA-N 440.548 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC)CC1 1539483248 UFTNBVDFBUHKJB-UHFFFAOYSA-N 431.487 2.149 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1539676905 XYKYIGGLEYQEIV-KRWDZBQOSA-N 432.594 2.393 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1540858557 FWNOSFGQSFHQGF-UHFFFAOYSA-N 427.459 2.458 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1540874097 VBCFMTQOYRMSAL-UHFFFAOYSA-N 427.524 2.246 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1cccc(C(=O)N(C)C)c1 1541634249 DFEFBSBGSKSVSR-INIZCTEOSA-N 425.537 2.099 30 10 IEEE CC(C)OCCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1541766423 SZCXFTLWVZOYQG-UHFFFAOYSA-N 435.532 2.324 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1554567798 CVCVNTAJXYXXMX-GOEBONIOSA-N 446.533 2.003 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1554607154 BUOLUOPREYVFOK-VQIMIIECSA-N 426.521 2.068 30 10 IEEE CCC1(CC)CNC(=O)[C@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1558540052 VBKGFJSZLDWUJI-QGZVFWFLSA-N 425.489 2.444 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2c1cccc2C(F)(F)F 1586455861 UZOOOSISYCCLKZ-UHFFFAOYSA-N 425.388 2.170 30 10 IEEE COC(=O)c1cc(S(C)(=O)=O)ccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1587128272 BVSFNIKWWNRNKM-UHFFFAOYSA-N 438.465 2.495 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCN(CC)C1 1587663283 WHRFZSYBAFGUTM-DHIUTWEWSA-N 449.647 2.443 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCCc3cc(Br)ccc32)C1=O 1587823276 FQIMRPNOAGJYGU-HNNXBMFYSA-N 434.290 2.310 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588039939 GNQZCLWYEYPASA-HTAPYJJXSA-N 446.573 2.414 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 1588620327 TWHBEGWNIYSAGX-UHFFFAOYSA-N 426.565 2.316 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCCC)nc2)CC1 1588913490 KTZGTYSAAWWGGY-UHFFFAOYSA-N 447.543 2.471 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1589060010 MIBKIYZQAIQJOT-UHFFFAOYSA-N 431.606 2.377 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1589250996 HBRRPJYCRAORAZ-KSFYIVLOSA-N 430.553 2.430 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595664334 BNNBHIOMJVOMIQ-PKOBYXMFSA-N 432.546 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@H]2C)C1 1595687831 DBGBZTSXFQCLBW-RRMPHLOHSA-N 429.477 2.175 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccccc3F)CC1)C2 1595972260 JFAKDDBOROHYSN-LJQANCHMSA-N 427.501 2.382 30 10 IEEE CCCCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1596976706 BXDAISLLGPBKDS-IBGZPJMESA-N 433.578 2.198 30 10 IEEE CC(C)(C)O[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1597649390 UHJUKEKZOSJDIG-MAUKXSAKSA-N 447.561 2.477 30 10 IEEE CC1(C)CC2(CO1)CC(NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1603285740 FDGZREBAUXXNQF-UHFFFAOYSA-N 431.558 2.423 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1614318988 YEUXANICZFVNQR-MRXNPFEDSA-N 434.504 2.381 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H]3CSC[C@@H]3O)C[C@H]1C)C2=O 1615242844 FPYUQGZUQAFNTJ-FEHMCHFDSA-N 439.917 2.230 30 10 IEEE COc1cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)Nc4ccccc4)[C@H]3S2)cc(OC)c1 1616175066 MJLNRAVRFYYLLZ-LASHMREHSA-N 443.525 2.145 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOCC1(C)C 1620098059 PFPKWFQLKSFLNM-PMACEKPBSA-N 446.596 2.243 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1632533235 QMWLLGBRGWLOBP-CHWSQXEVSA-N 432.468 2.412 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c(Cl)c1 1639698497 COJXDUNBPUOBCX-OLZOCXBDSA-N 435.855 2.083 30 10 IEEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1639822193 VUQUTMVNSPPEDW-CTWQGKMFSA-N 447.557 2.285 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1640620485 WIYRBMSKHMXJCW-UHFFFAOYSA-N 449.573 2.460 30 10 IEEE N#Cc1cc(Cl)ccc1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1640956968 DWCRTYKLLSAGFG-JKSUJKDBSA-N 428.963 2.498 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1642858432 CLXZLEJNWNLDSC-VYLNNHTCSA-N 432.521 2.197 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)C2)nc1 1645085310 NQKXEXQONJAWKL-QGZVFWFLSA-N 432.484 2.122 30 10 IEEE CC1(C)CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)[C@H]1C#N 1645513884 DLLHDHWKXAQOAZ-NIFLVVHWSA-N 427.530 2.248 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](c4cncn4C(C)(C)C)C3)CC2)o1 1655127917 SJRKDYWUPQIZSV-GOSISDBHSA-N 439.564 2.334 30 10 IEEE CCN(CCC#N)S(=O)(=O)N(C)[C@H](C(=O)OC)c1cc(OC)ccc1Br 1664041765 FHMVXIIWWQIJLM-HNNXBMFYSA-N 448.339 2.084 30 10 IEEE N#C[C@@]12CN(C(=O)NCC3(c4cc(F)cc(C(F)(F)F)c4)CC3)C[C@H]1CS(=O)(=O)C2 1681672686 AKDGREPQAXJMRS-KSSFIOAISA-N 445.438 2.456 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N[C@H](C)CC 1690004727 DDLPVZXDXWXTEW-CQSZACIVSA-N 431.338 2.413 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CSCCS1 1690025545 VKUILGMGIMIQJM-OAHLLOKOSA-N 431.612 2.191 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)Cc2ccccc2C1 1690030110 OONDMEZVRXWSAU-GOTSBHOMSA-N 447.583 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@H]1CCCC[C@H]1C 1690047427 QTCXEJGFGKNXRD-AQNXPRMDSA-N 432.590 2.238 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2COCCO2)CC1 1690114866 JREGXUVONZULFT-LJQANCHMSA-N 447.486 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(C)cccc2C)CC1 1690144092 LPJGKRBJMNHVQF-NRFANRHFSA-N 448.571 2.055 30 10 IEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)CC1 1690160010 UCRFRCUIOKQNAN-UHFFFAOYSA-N 426.514 2.482 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1690254489 BTJDKWJBOQJRBZ-NRFANRHFSA-N 436.626 2.027 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690676207 SPQJIXOQBCUWDD-PXNSSMCTSA-N 441.532 2.173 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1698217968 GLXFGVAWJPBGCD-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CC=CCC2)c1 1698293847 RRMNEJQZZXDEAM-NRFANRHFSA-N 444.536 2.052 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1698301419 BHRLAAUARVOKAI-MRXNPFEDSA-N 435.937 2.152 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705560120 DHEKBZOOMICODA-YVWKXTFCSA-N 444.557 2.005 30 10 IEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705726706 ZWLLZKJCXUYCEL-UHFFFAOYSA-N 428.562 2.496 30 10 IEEE C=CCn1c(N2CCN(Cc3csc(CC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1705894070 XRQUXNDIBSWNIK-NRFANRHFSA-N 432.594 2.457 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1705914146 HMONLFQRJHNBMW-XMMPIXPASA-N 449.559 2.455 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705943885 MSVDSMWDQNFIKV-QGZVFWFLSA-N 449.602 2.188 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1C 1707514004 FDUMZPVRDMINCY-VZCXRCSSSA-N 449.515 2.272 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCO[C@H]1C(C)C 1710697791 KUSPXEWHOORARE-QRWLVFNGSA-N 426.521 2.411 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccncc1 1711245054 NGPOUWAQMTWYEJ-INIZCTEOSA-N 442.321 2.413 30 10 IEEE CN1CC[C@@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@](C)(C#N)C2)C1 1711276272 RLGFYFDQNCLITE-VXKWHMMOSA-N 430.503 2.344 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1711804697 MTMWEXYWVKHHEW-QZTJIDSGSA-N 433.459 2.225 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1722301076 VAEFZTOYDIJJRF-OAQYLSRUSA-N 444.587 2.329 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722361811 PVIZCNJGKNIBIK-KRWDZBQOSA-N 443.479 2.293 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372165 QODDRAKNMPUVGY-LJQANCHMSA-N 447.630 2.043 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCOC(C)(C)C1 1722390939 XSJQTAVSECUMSM-UHFFFAOYSA-N 436.516 2.427 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1722402239 JSJKZZYVDBHQKG-GFCCVEGCSA-N 445.467 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCc2cnn(C)c2)CC1 1722445119 LZEZQNKIFCOUQA-UHFFFAOYSA-N 431.544 2.277 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722455621 OVASDMMVXVEJEG-UHFFFAOYSA-N 446.536 2.439 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1722473935 JJUXAMIMCWULDI-WZONZLPQSA-N 426.517 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1722510201 RWDCWGLMYNWIFW-MLHJIOFPSA-N 438.594 2.165 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(C)c2)CC1 1722566600 VHXJVPWWRLBGPC-LJQANCHMSA-N 449.552 2.263 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1722573261 RNISQANPDYUDND-HXUWFJFHSA-N 430.597 2.153 30 10 IEEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1722609176 ADPGBGHRQGWRFB-UHFFFAOYSA-N 437.541 2.434 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722675833 SSWJMKNLBZBYHG-KDURUIRLSA-N 430.597 2.467 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1723780231 PXEGOGYJWQFQTJ-VXLLPVPCSA-N 438.598 2.347 30 10 IEEE CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCC[C@@](C)(C#N)C2)c1=O 1728539345 FNLYPQOEQAEEFA-JTSKRJEESA-N 428.537 2.362 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC[C@H]1C 1730390173 ONRJYWFVYJYPSN-QRWLVFNGSA-N 431.500 2.220 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C)N2CCOCC2)CC1 1740690819 OHQXZTWQWMUBAH-GMAHTHKFSA-N 436.604 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740704712 RXZPYZCKYSEMLW-HXUWFJFHSA-N 449.603 2.426 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740709990 OOOPWTZNZSRWGO-JKSBSHDWSA-N 449.621 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCCC(=O)NC 1740762735 FYTSEROLNKYGNH-NQIIRXRSSA-N 429.569 2.083 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 1740796692 CQNLGWIEKRXJQZ-FUHWJXTLSA-N 433.578 2.463 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740800742 HWCAIJVKPIAUOH-ZDUSSCGKSA-N 437.331 2.281 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748731180 WNANLYCTELIDNR-QPPBQGQZSA-N 445.608 2.281 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1748823840 COEXYBVJOYUHED-QGZVFWFLSA-N 436.965 2.451 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748823857 DCVLUTSDSUBHCJ-GUDVDZBRSA-N 436.578 2.106 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCS1(=O)=O 1748968479 GKUQOSMQNBTVEW-HXUWFJFHSA-N 446.573 2.219 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1749459409 JCGRSKADKVDRRM-UHFFFAOYSA-N 444.502 2.068 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1749554589 WLRVUPDGRGEKBL-HNNXBMFYSA-N 427.534 2.189 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1750379227 CQWCIKGIGPBPFW-BTYIYWSLSA-N 425.443 2.198 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCOCC(F)F)cc1 1750381945 LRXCWCIMQDGLIT-DLBZAZTESA-N 430.459 2.203 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1751929971 CDZZWLWKNRKFTL-LBPRGKRZSA-N 428.850 2.217 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760141731 GKAHMJMFGOACRU-UHFFFAOYSA-N 425.533 2.264 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(=O)NCC 1760200760 SUHJCFGHPYVXOF-UHFFFAOYSA-N 429.528 2.366 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CN(CC(C)C)CCO1 1760247696 LKVNXSRTILNPKU-HXUWFJFHSA-N 426.565 2.091 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760282932 WEUDFWRBZMFCAD-IBGZPJMESA-N 447.992 2.230 30 10 IEEE C=C(Br)Cn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760308337 ATGYBESEYFYZOW-PBHICJAKSA-N 439.402 2.128 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1760373913 DXCJWAPIGQUZNS-HNNXBMFYSA-N 439.944 2.398 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760511372 ZXPVKTOBMHIRKA-FPOVZHCZSA-N 437.592 2.267 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(C)cs1 1760515764 ZCXQOECKCYYVHH-UHFFFAOYSA-N 425.518 2.234 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](COC(C)C)C1 1760553410 UDHMXLQOOSGNQZ-IBGZPJMESA-N 434.562 2.176 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1760685428 WMGSQDDCGOOJAX-HSZRJFAPSA-N 438.532 2.262 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1761134347 CLDGMJGILCPEGQ-SXWKCWPCSA-N 448.612 2.271 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CC(F)(F)CO3)CC2)c1C#N 1762403294 QXLXWFDJCZFHET-INIZCTEOSA-N 448.522 2.141 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1763932829 MAHBEOOUZYQPQQ-HNNXBMFYSA-N 441.536 2.441 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1764060105 GIMYJAWVDKMXAN-UHOSZYNNSA-N 431.585 2.105 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1770412197 FZQOIRYWRAYCJX-RBUKOAKNSA-N 440.548 2.039 30 10 IEEE CCN1CCC[C@@H]1CN(Cc1cccc(S(=O)(=O)CC)c1)C(=O)c1cnc(C#N)nc1 1853453044 WAYPPJWEZSLIBU-LJQANCHMSA-N 441.557 2.269 30 10 IEEE Cc1ccc(S(=O)(=O)N=C(NOCCCN2CCOCC2)c2cccn2C)c(C)c1 1853542754 ILRSPKUJXQBXOQ-UHFFFAOYSA-N 434.562 2.021 30 10 IEEE CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854024112 RJHAGWITKRUNRZ-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)C[C@H]2CCc3ccccc32)C(=O)C12CCCCC2 1854402925 BCCQRRHGGVDUCW-GOSISDBHSA-N 429.542 2.334 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1 1856265906 CJTOCZCSCDJKNU-AWEZNQCLSA-N 431.901 2.415 30 10 IEEE CCCc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857033865 GQIWEPVSJNCDAI-HXUWFJFHSA-N 431.558 2.122 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N(C)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858271897 HPDWIFPEYYTDSB-UHFFFAOYSA-N 447.498 2.184 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(F)c1 1862749045 PDCPXQMGVYOBKQ-SFHVURJKSA-N 427.388 2.448 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 1866581469 CUMRTBHGHKLTLS-QUCCMNQESA-N 425.510 2.049 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccnc(Cl)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004985 SFZWXFMNUOIUAK-CQSZACIVSA-N 436.925 2.117 30 10 IEEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN(CCO)Cc1ccccc1 1870524299 IJQSLCTURIFSKF-IBGZPJMESA-N 427.545 2.322 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc([N+](=O)[O-])c1 1874295177 NUUYFBRXPMRJSE-KEBDBYFISA-N 441.429 2.145 30 10 IEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2-c2cccs2)cc(OC)c1OC 1874421457 MXFRKGXEWXEOBE-AWQFTUOYSA-N 433.515 2.492 30 10 IEEE C[C@@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)nn1 1889677762 IOPKRCCOJTZOGP-QGZVFWFLSA-N 426.546 2.238 30 10 IEEE CC[C@@H](C#N)N1CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2060826080 PQLAIXFLGNHGPM-SFTDATJTSA-N 443.592 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2063391936 BHEJHKFSJRIJTA-CPBBTPEFSA-N 436.358 2.299 30 10 IEEE C#CC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(=O)O 2180149712 RIEUAHBKDIXRMH-LSDHHAIUSA-N 439.306 2.478 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2247833244 COQASEBJKTXXPH-BETUJISGSA-N 435.355 2.276 30 10 IEEE CN(C)CCCN(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255654483 XOLQNZNFEQJZPN-UHFFFAOYSA-N 426.370 2.313 30 10 IEEE C[C@H](CCCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255820886 WISWHFYKRPWYSL-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830682 JHNMQDZBQNWMST-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE CCCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2255843231 DMKMALJQVYIARG-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE C=CCCC1(C(=O)NCc2c(Br)nnn2C)CN(C(=O)OC(C)(C)C)C1 2266310303 NVQDRMWYMVNHER-UHFFFAOYSA-N 428.331 2.397 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267013632 NCJJMQPTZDJGHX-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267176144 WCQZNWDEKMTKSU-INIZCTEOSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267524501 QWJBDMOTJSHAFE-KKUMJFAQSA-N 446.357 2.227 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 2267539260 QBXZSEBYSLTMOI-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NCC[C@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2267575628 ICQIYOIIBVLDEL-FQEVSTJZSA-N 439.365 2.335 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)cc2Cl)OC1(C)C 2267706211 SYNHEANORKVICN-GFCCVEGCSA-N 449.787 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@@H]12 2267844633 MDJKYZOWXXXWQQ-KFKAGJAMSA-N 445.369 2.296 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880129 PLOXVZXDKSZOLU-LSDHHAIUSA-N 446.357 2.199 30 10 IEEE Cc1cc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 2269071395 OVMPADUSFNMECB-UHFFFAOYSA-N 442.321 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2313210376 YAPTXPQHHVWGNF-PONJGIIJSA-N 434.342 2.200 30 10 IEEE C[C@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H]1NC(=O)C(F)(F)F 2322309948 YYXNUCFKJVUUGG-SMDDNHRTSA-N 431.239 2.413 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@]1(C)CCN1C(=O)OC(C)(C)C 2337299360 QWDHWWMLRQBTKO-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CS(=O)(=O)C1(C#CC(=O)C2(O)CCC(NC(=O)OCc3ccccc3)CC2)CCC1 2367840192 UWTIMZNGHCXFRU-UHFFFAOYSA-N 433.526 2.126 30 10 IEEE Cc1cccn2c(=O)c3cc(C#N)/c(=N/C(=O)c4cccnc4)n(C[C@H]4CCCO4)c3nc12 102749042 IEZPKQRQIUHFHV-MLIREZTKSA-N 440.463 2.144 30 10 IEEE CC1(C)O[C@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 118927458 JWPZLQJLMNKVAZ-DGRLEXMWSA-N 432.488 2.195 30 10 IEEE COc1c(I)cc(I)nc1[C@@H](N)CC#N 238416482 XPHIMLYPIMQYQK-LURJTMIESA-N 428.999 2.213 30 10 IEEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 303418413 XDDLYMSUWCFURS-MRXNPFEDSA-N 431.968 2.415 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CO[C@@H]2CCCc3ccccc32)CC1 430087755 FKMAJKORNWNBNX-OAQYLSRUSA-N 439.537 2.485 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)c2ccc(C#N)cc2C)[C@@H](C(=O)N(C)C)C1 438940614 XCFBXFINYDIJMN-JOCHJYFZSA-N 443.507 2.102 30 10 IEEE N#CC1CCC(CN=c2nc(N3CCOCC3)[nH]c(=NCC3CCC(C#N)CC3)[nH]2)CC1 440640767 USGLUFMUMHUEET-UHFFFAOYSA-N 438.580 2.036 30 10 IEEE CC[C@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 464763189 OBFFCSWIAWTYJT-LJQANCHMSA-N 427.524 2.432 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2ccc(F)c(F)c2)cc1 470439208 UQGAIWQLLVZMEO-KRWDZBQOSA-N 430.436 2.106 30 10 IEEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 479317074 JVUOHUSZRMBEKC-INIZCTEOSA-N 442.545 2.384 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)cs1 497579680 ZQSVFGRZEIQRGG-OAHLLOKOSA-N 431.583 2.362 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2C)n1 504157940 NKBWRZJLFNXQAD-IBGZPJMESA-N 429.484 2.385 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 515662322 NIWCNYNPXSTRKX-UHFFFAOYSA-N 446.507 2.329 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CC1 525749360 WEDMVOIYXQSGQI-UHFFFAOYSA-N 446.555 2.214 30 10 IEEE CCCc1ccc([C@@H](C)N(CC(N)=O)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 537048357 CRAKKWGPOZJPDP-DENIHFKCSA-N 427.593 2.180 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)c1 553034858 TUGZAVVPZMOZRK-UHFFFAOYSA-N 438.452 2.245 30 10 IEEE COc1cnccc1N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 561528601 GEBUKHMLJMMBBX-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCc2nn(C)c(=O)cc2C1 568654388 ZKKDLZGTNHAHDD-UHFFFAOYSA-N 431.544 2.463 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 568920381 DOQKBHPLBPBRKI-OAHLLOKOSA-N 425.580 2.284 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cn1 609658991 GLJYRTPZBJYZNE-UHFFFAOYSA-N 433.390 2.248 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)CCN2C1=O 619820203 YKWXHNRSPVQSQP-FQEVSTJZSA-N 441.495 2.338 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 679532136 IRFBFQZMCXVWFZ-UHFFFAOYSA-N 431.514 2.159 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)c3ccccc3F)sc(=Cc3ccoc3)c2=O)CC1 727418366 QKUAZRUQLPEOIM-UHFFFAOYSA-N 437.496 2.295 30 10 IEEE CCc1cccc2c(CC(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)c[nH]c12 731745696 FISQQTSDHXAECT-UHFFFAOYSA-N 435.484 2.333 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCN1C1CC1 732648143 NVOQXERWJLSGOW-GFCCVEGCSA-N 426.214 2.012 30 10 IEEE C=CCn1c(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)sc(=Cc2cnn(CCC)c2)c1=O 735069593 XMRDHTLKXGKQOA-KRWDZBQOSA-N 447.564 2.083 30 10 IEEE Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737304798 BXXMBOYGNCOTSE-MRCUWXFGSA-N 434.452 2.368 30 10 IEEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1C#N 746877750 SCMUIUNOVUXFDM-IYBDPMFKSA-N 443.525 2.295 30 10 IEEE O=S(=O)(Nc1nncs1)c1ccc(NN=Cc2ccc(-n3cncn3)cc2)cc1 751134197 HHOCRWNREDWGHV-UHFFFAOYSA-N 426.487 2.366 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(=O)[nH]c21 754707985 ZELWIJJTVKTTEU-DUIUGDAFSA-N 444.495 2.108 30 10 IEEE C#CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@H]1CCS(=O)(=O)C1 756850659 XXPWYIFRFLZEBS-SFHVURJKSA-N 431.583 2.412 30 10 IEEE C#CCN(C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 763030867 RTKIYJCGTIHRCD-CYBMUJFWSA-N 436.892 2.391 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)OCC)c2ccc(F)c(F)c2)cc1 780502547 WYSHEBPDVWDXFJ-GOSISDBHSA-N 437.420 2.338 30 10 IEEE C[C@H](NC(=O)CNC(=O)COC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(F)cc1 782701817 WZPCTGSZZIERCE-LSDHHAIUSA-N 427.432 2.001 30 10 IEEE C#CCN1CCC(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC1 787470780 RUFXVMCECMVWRM-UHFFFAOYSA-N 438.355 2.388 30 10 IEEE COCCOc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=N[C@H](C)COC)cc1 789968137 KAOUFZYUJXAHOG-OAHLLOKOSA-N 430.534 2.188 30 10 IEEE C=CC[C@]1(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CCCN1C(=O)OC(C)(C)C 790690569 QJXWTBBVTGHNFU-FGZHOGPDSA-N 434.537 2.169 30 10 IEEE COC(=O)Cn1cc(C=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)c2ccccc21 794891931 YJDDSGQBXADFKN-UHFFFAOYSA-N 441.513 2.440 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 809894149 XREORACVAXSZRC-GOSISDBHSA-N 432.569 2.305 30 10 IEEE CC(C)(C)N1CC[C@](F)(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 810626021 JINRSZATZSLJPP-MRXNPFEDSA-N 432.315 2.338 30 10 IEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC)[C@@H]1CCS(=O)(=O)C1 812025474 ADQLQMQTPHHTBR-CYBMUJFWSA-N 441.326 2.493 30 10 IEEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)[C@H](C)Oc2ccccc2C#N)n1 914678904 GKKMBKHLFUTBGZ-INIZCTEOSA-N 434.456 2.408 30 10 IEEE N[C@H]1CCCC[C@@H]1/N=C(/Nc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc2C1 1088685165 OFBWZCYUZCOBMI-SFTDATJTSA-N 427.574 2.430 30 10 IEEE CSCC[C@@H](NC(=O)CC1(C#N)CCOCC1)C(=O)Nc1ccc2oc(O)nc2c1 1143882369 KWAKCIAHWQOQFA-CQSZACIVSA-N 432.502 2.420 30 10 IEEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCN(CCC#N)CC1 1152067752 CXNDSDQTNDVCGG-UHFFFAOYSA-N 428.230 2.179 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)ccc1F 1152349965 FBEIQBHSTZCWSU-SREVYHEPSA-N 427.498 2.101 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(N4CCCNC4=O)cc3)C2=O)cc1 1227630407 BDNMYIWYJGMPJZ-NRFANRHFSA-N 446.511 2.078 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 1254598894 JWEQQVNAFAIWDK-JKSUJKDBSA-N 428.938 2.214 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1272601113 FUTJWVSLXVUIQC-GFOFROLCSA-N 428.938 2.211 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1286387268 PKYQFMDDYYGDDX-KRWDZBQOSA-N 442.932 2.064 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCC2)CC1 1286485443 LZAOHAPROWUACU-NHCUHLMSSA-N 428.625 2.438 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC(C)(C)C1 1286504613 TUOUETCVUMCUOH-UHFFFAOYSA-N 448.618 2.220 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CC 1286522812 RNETYMFDRLJNKA-RTWAWAEBSA-N 430.578 2.391 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286779486 SQESKCFTWUXMJP-HKUYNNGSSA-N 443.552 2.094 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCN(CC)CC2)C1 1286803597 FFAKVSQDXIXSRR-VQTJNVASSA-N 427.597 2.091 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286834064 YSHJLIMXLSINFL-SFHVURJKSA-N 427.578 2.223 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCS1 1288775068 BSMLRCNUHQXVRR-WMLDXEAASA-N 434.591 2.292 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@H]43)c(C#N)c2N)cc1 1294271538 IWIVNWDLLSXKQW-NSHGMRRFSA-N 434.544 2.378 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cccn(CC)c1=O 1300432946 SPYNCKMXPFGKRS-UHFFFAOYSA-N 438.919 2.161 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN1CCC(O)CC1 1300512486 QKNYQRAQSSXVKL-LJQANCHMSA-N 439.535 2.477 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300630390 SCURDAQWXJJDAA-PMACEKPBSA-N 435.576 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCC[C@@H]1C 1300654588 ADFDQZCXNDYGTR-GAJHUEQPSA-N 426.517 2.353 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(C)(C)C(=O)NC)CC1 1300685953 VOSDWGQFWCEPOC-UHFFFAOYSA-N 434.588 2.276 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300980669 LHBGHPGOKCKEEV-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301569275 UTDMKMKPHPNTBB-INIZCTEOSA-N 427.571 2.023 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1301624263 SYXXQQMNQWIQQH-GHTZIAJQSA-N 432.594 2.026 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCOCC1 1301805032 ASRLFYSAODGTDK-UHFFFAOYSA-N 447.971 2.471 30 10 IEEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1302543352 GWUKVMURGJGITF-HNNXBMFYSA-N 448.618 2.428 30 10 IEEE N#Cc1ccc(CSc2ccccc2C(=O)NC[C@]23COCCN2C(=O)COC3)cc1 1302561630 JYLXBXGLJPMBPY-HSZRJFAPSA-N 437.521 2.208 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@@H]2CCOC2)cc1 1302990022 VMWBQBGWXBCHAL-INIZCTEOSA-N 439.438 2.231 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1313967478 NXADYYGQURXSRC-UHFFFAOYSA-N 439.564 2.330 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1315600716 FEPUCSIGHHHIJL-UHFFFAOYSA-N 441.513 2.480 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1318127339 GAMAFULMBYRPIE-QHCPKHFHSA-N 436.468 2.097 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1358888397 MATWOQRHGVPEKJ-OVCNXMPXSA-N 447.580 2.390 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CC1 1359015499 VXESHWBURRXZNV-HKBQPEDESA-N 443.548 2.204 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1359144201 BCVXVJVDEYZXGQ-UHFFFAOYSA-N 439.969 2.452 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1359260867 QDWKCCJWASEEOE-QGZVFWFLSA-N 449.552 2.037 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1359291465 QSYPEBJAWRXNGM-CGXNFDGLSA-N 432.613 2.183 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)ccc1F 1463143843 RYRNQBZXRLOEAN-UHFFFAOYSA-N 447.488 2.214 30 10 IEEE C[C@@](O)(C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(F)c(Br)c1 1463852862 XNHIERQLRVZDJD-IBGZPJMESA-N 433.281 2.411 30 10 IEEE C=CCc1cc(CNC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc(OC)c1OC 1468360887 CEIYBXQRMVDWDV-UHFFFAOYSA-N 437.562 2.142 30 10 IEEE COC(=O)c1ccc(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1469888535 CLYVTPYDSXEUGL-UHFFFAOYSA-N 430.468 2.021 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1470842027 PMJUENFSHWFJJW-HXUWFJFHSA-N 427.526 2.330 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1475637522 DVXXAMCZTWOPRU-DLBZAZTESA-N 444.598 2.109 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)[C@H](C)C1CCC1 1501551018 UOZGDJPMBZCQIN-OPAMFIHVSA-N 443.573 2.381 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1503075747 LYULWIDUCLPFAX-NRFANRHFSA-N 443.552 2.199 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1NC(=O)CC1(C)C 1503123771 NQYUNOPLFOLKFX-RBUKOAKNSA-N 438.532 2.179 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1507572647 RCDWABKBHDPMPG-SFHVURJKSA-N 431.924 2.127 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1507622147 BPSKJPAUAAUKAJ-XHSDSOJGSA-N 430.553 2.033 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1507687561 QMAABAHZSGYHNB-UHFFFAOYSA-N 430.516 2.490 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1507764969 PTGLFPZBKCLMJW-INOITIFUSA-N 437.610 2.476 30 10 IEEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507889479 VZEMITZKPFEIDG-JOCHJYFZSA-N 446.573 2.180 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507910424 RKCWAMVBPXVZBG-MRXNPFEDSA-N 429.525 2.386 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1507970408 MJAVAVWIDLNOHW-PGRDOPGGSA-N 430.553 2.342 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCO[C@@H](C)C2)cc1 1508100851 POIPEMFUVUKBNV-HKUYNNGSSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)C1 1508119361 ZMLBMAYGGSJYPQ-GHTZIAJQSA-N 427.549 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCc2c(ccnc2O)C1 1508143832 OSMVLNFSBSKZDT-UHFFFAOYSA-N 431.562 2.275 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1511543240 ITOQIRKFOWDQHR-LTFJSZEESA-N 427.534 2.149 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1518759041 WZQCEUIWOKKDFS-MSOLQXFVSA-N 435.525 2.205 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CCO1 1518910811 ACXNJKRFOYQINM-FQEVSTJZSA-N 441.532 2.112 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1521114492 FDSOAUHIJLCGIL-RBUKOAKNSA-N 440.523 2.395 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)CCC2=O)cn1 1524578236 ZUTGARQEENZWLN-INIZCTEOSA-N 426.908 2.037 30 10 IEEE CCOC(=O)c1c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)cn1CC 1529321785 GNPMYQZCHAVLQY-UHFFFAOYSA-N 430.486 2.349 30 10 IEEE N#Cc1ccc(C2(NC(=O)c3nc4ncc(Br)cn4n3)CCOCC2)cc1 1531817097 HJJCCZHJPDVTRE-UHFFFAOYSA-N 427.262 2.194 30 10 IEEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1=O 1532781825 YGAFPMYINMQGMN-QHCPKHFHSA-N 446.442 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1539031300 YRHLBBITMBDMQX-INIZCTEOSA-N 427.530 2.011 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1539086782 LWZVXHQVDIICEO-DYESRHJHSA-N 430.509 2.003 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1539125385 LRYTZOBJODLSFA-KRWDZBQOSA-N 437.591 2.031 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1539134360 UQBIBBUCDXEBTO-UHFFFAOYSA-N 427.574 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1539211185 IXXQWIIHYQVMAD-KRWDZBQOSA-N 430.505 2.058 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC1(O)CC(OCC)C1 1539337372 NDTJHDNUAHDRFU-UHFFFAOYSA-N 426.492 2.389 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1(C#N)CCCCC1)n2C 1539418991 CSMQSHNROPKAIZ-UHFFFAOYSA-N 431.562 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nccs2)CC1 1539474761 XVFUCAADTYJADP-UHFFFAOYSA-N 441.948 2.464 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1539479400 ZXKAQKHZFRCXGL-UHFFFAOYSA-N 435.488 2.027 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1539513218 LZAHKTSLIRFQAQ-FQEVSTJZSA-N 433.541 2.495 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1539519451 IMWTXGWLLOSBJN-LJQANCHMSA-N 431.993 2.410 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539749837 DHPPWEKGVMUQDP-BEFAXECRSA-N 431.487 2.455 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539961558 ZHDGCVBHTZNEND-OAQYLSRUSA-N 445.593 2.296 30 10 IEEE C=CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540021462 RIGUPLUKUGWXJG-JOCHJYFZSA-N 432.569 2.279 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1540863817 GJBKXRBIYFATFR-JSGCOSHPSA-N 437.342 2.342 30 10 IEEE CC(C)N(C)CC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541598982 RNDABDAVAZVEFL-XDOYNYLZSA-N 441.580 2.239 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1555223342 HMQMUHHWFPIDBU-QGZVFWFLSA-N 440.504 2.042 30 10 IEEE C[C@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 1558686392 QUWSSCXQQBMEIN-PMACEKPBSA-N 436.350 2.121 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCCc2nnc(S)n2C2CC2)CC1 1564601171 HRGSJGKBMQXQOX-UHFFFAOYSA-N 427.534 2.400 30 10 IEEE CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564688916 BMNJTGKOWAOTMV-FQEVSTJZSA-N 425.558 2.494 30 10 IEEE N#C[C@@]12CN(C(=O)NCCc3cc(Cl)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1565268560 SODQOVPXGKGMEN-LRDDRELGSA-N 446.754 2.225 30 10 IEEE CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566218236 CULPCTVFVMJDJC-LJQANCHMSA-N 429.517 2.323 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CCc2ccccc2C1 1583870305 FUAQFLNMQCSJDD-LJQANCHMSA-N 426.542 2.229 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccnc(OC2CCCCC2)c1)c1cc[nH]n1 1584065547 BOEWIWWIHYFFIS-UHFFFAOYSA-N 429.477 2.116 30 10 IEEE C#CC[C@@]1(C(=O)NCCC(=O)NCCCc2c[nH]nc2C)CCCN1C(=O)OC(C)(C)C 1586072906 NGJFVZDPNQWNEG-QHCPKHFHSA-N 445.564 2.066 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc(Br)cn1 1587549855 CVGHCMJAULCOFX-CYBMUJFWSA-N 436.358 2.314 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1587872559 MEEGKZJSAOTUPL-FQEVSTJZSA-N 440.569 2.112 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncc(CC)s1 1588110186 YRXRPUQVISDYRS-UHFFFAOYSA-N 429.513 2.061 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)NC(C)C)CC1 1588805764 BEUGGTFOMBEISC-UHFFFAOYSA-N 447.543 2.270 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(C)(C)O)CC1 1588954370 GMWPCUHQUCADNU-UHFFFAOYSA-N 448.571 2.477 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1593782098 GMYFJYXJRVKBCA-QUCCMNQESA-N 440.548 2.272 30 10 IEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1)c1ccccc1 1594534637 NCNJQGVELPNXFD-HKUYNNGSSA-N 433.578 2.475 30 10 IEEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1595229948 XSTITRVMLPTWQM-UHFFFAOYSA-N 430.574 2.181 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595490671 WRKGPIBPZCPDKL-SJORKVTESA-N 428.924 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595506638 HSHJUEDZPJWBOI-SPLOXXLWSA-N 449.914 2.424 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@H]2C)C1 1595753276 GGKCHFBIQYSZMW-RTBURBONSA-N 445.539 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1595772482 ATEYSEHNIPXSOG-UHFFFAOYSA-N 427.530 2.200 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1596978365 OEOMUUICOBWFKR-GOSISDBHSA-N 427.530 2.033 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(C)c2I)c1 1597356176 RYUFZQSORFXVMD-UHFFFAOYSA-N 443.266 2.074 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1597813302 UFUXPKJZUJFELM-RKVPGOIHSA-N 437.587 2.344 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1610430380 KYFPFDJRIWPAJR-QFIPXVFZSA-N 432.569 2.317 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(Cl)nc1 1611696280 FFMAJFNQEAGALK-SCLBCKFNSA-N 437.957 2.115 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CCO2)cc1 1617919122 ZJIIWRCSMCPFMN-AEFFLSMTSA-N 431.539 2.059 30 10 IEEE CCO[C@H]1C[C@](O)(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(C)C 1618766081 XHAQFSRTKWVFJG-PXNSSMCTSA-N 436.350 2.439 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C 1619968330 GQMRWKPKEWDJTI-DRSNIGMVSA-N 429.521 2.050 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccc(C)n1 1620020468 YMMKSDAZBHVGKB-WIYYLYMNSA-N 439.564 2.125 30 10 IEEE COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1623843551 QFPSRNXWKUHFED-UHFFFAOYSA-N 436.417 2.179 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)n1 1626714004 NYGSYNNZCFPYSL-UHFFFAOYSA-N 447.561 2.215 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1627577815 CSDSPYYMMCKDNH-KRWDZBQOSA-N 444.598 2.236 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)s1 1636155968 VOXJEDCBZZRXHU-QAQDUYKDSA-N 448.566 2.393 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1636469651 RRAVQOYSYGVMDA-AWEZNQCLSA-N 430.286 2.185 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)C1 1638075692 STLPCPNSSLCECQ-SFHVURJKSA-N 437.496 2.489 30 10 IEEE CCn1c(CCC(=O)NCC2(C#N)CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 1640671469 MMZCXJZVTBGESN-UHFFFAOYSA-N 431.562 2.439 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C#Cc1cccs1 1641024130 OXGZDNSDINEWHK-HIFRSBDPSA-N 430.448 2.479 30 10 IEEE CCOc1ccc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)nn1 1642057399 WKQCMFALQYDOCQ-UHFFFAOYSA-N 443.548 2.174 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)O)cc21 1645806575 AWGXDZROFKNDPD-FOIQADDNSA-N 428.514 2.197 30 10 IEEE COCC(=O)N[C@H](C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(C)C 1648125603 LKJXZHNDAGBSBM-QXEWZRGKSA-N 440.331 2.403 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 1651606712 ZKKGMDMIWNEIDB-DUVNUKRYSA-N 447.479 2.366 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(CC(=O)NCc4cccc(C#N)c4)CC3)n[nH]2)cc1 1654990295 CPLQIFBDOIRXNK-UHFFFAOYSA-N 425.496 2.258 30 10 IEEE COC(=O)[C@H]1CCc2sc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)nc2C1 1672971105 HYQXIIPSQYQIQP-UONOGXRCSA-N 427.486 2.373 30 10 IEEE COc1cc([C@@H](C)NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1S(C)(=O)=O 1676808027 MRHNGLCKJLNBMF-KDOFPFPSSA-N 431.514 2.406 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCOCC(F)F 1689961246 QCEMFSGKRKEQBV-UHFFFAOYSA-N 430.459 2.416 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CCOCC1 1690017550 GSUPFLRCCVFURW-HSZRJFAPSA-N 433.556 2.473 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1690077725 VOFHYBVZDOXGIG-HNNXBMFYSA-N 447.565 2.254 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1690131245 WLDVMTRKPJRBRY-UHFFFAOYSA-N 430.512 2.340 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690170089 YVWJAVFBNWHPQH-INIZCTEOSA-N 433.545 2.016 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1(=O)=O 1690210796 LOKBEXZMHNWREQ-WIYYLYMNSA-N 430.578 2.099 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1690571985 PKFHPSYJMAEXRY-SFHVURJKSA-N 443.523 2.396 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCN(CC(F)(F)F)CC1 1690992948 CDLIBTQYQJRDKY-AWEZNQCLSA-N 429.491 2.286 30 10 IEEE CNC(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H](C)C#N 1697001140 HAMDSFRZVSXURP-LBPRGKRZSA-N 435.326 2.448 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(C(=O)N(C)C)CCCC1 1698239315 VRSRMYJTDYFKDS-OALUTQOASA-N 444.580 2.391 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1705477497 OUNJAPWMINMNPJ-CVEARBPZSA-N 437.541 2.343 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC1(CN2CCOCC2)CCCCC1 1705588076 UXYPDLKYBDRVOL-OAQYLSRUSA-N 425.577 2.485 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1ccnc1C 1705629025 VJXXDAAPIUEUGR-NRFANRHFSA-N 436.516 2.472 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1705657168 VNGDBCTWSOUYRD-UHFFFAOYSA-N 435.557 2.177 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705733549 PVXKVMNGPWUDKQ-GOSISDBHSA-N 441.532 2.366 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1705818254 DNLZUXVEHRKFIF-KDURUIRLSA-N 438.532 2.491 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705941505 LVZOLSQABGPSNN-CQSZACIVSA-N 438.575 2.462 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H](OC)C(F)(F)F 1709137205 MGJBOXLIDBNBQQ-HNNXBMFYSA-N 440.474 2.048 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1711285871 XKYXPDBIPCUTBD-GFCCVEGCSA-N 436.358 2.414 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1712361096 PSJGCYYMKYYDMP-HSZRJFAPSA-N 438.532 2.404 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722365477 OITLWJNPXSUWEF-UZLBHIALSA-N 443.573 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1722397596 LGNRFZBTBCKLMW-NRFANRHFSA-N 446.555 2.222 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722416857 QKRUNEWJIJZUGE-HRAATJIYSA-N 429.546 2.067 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1722417685 PLOVUWJQBCUYAI-FGTMMUONSA-N 433.553 2.314 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722459143 CZGDYFGPFUWOKX-HXUWFJFHSA-N 443.621 2.332 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722461097 MBFPVJVKNDIQTB-OXQOHEQNSA-N 441.557 2.214 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1722461196 PKNVGBAPJVWOBA-UHFFFAOYSA-N 430.553 2.226 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCNC(=O)C(C)C 1722507478 FTLLYVWZIZOFOQ-PZJWPPBQSA-N 426.565 2.454 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1722599107 TZFFZNNZGSNMAG-FXAWDEMLSA-N 426.583 2.168 30 10 IEEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)C)CC2)c(=O)n1C 1724355007 GNRWYQPZCPNJBQ-UHFFFAOYSA-N 431.544 2.403 30 10 IEEE CC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1726813809 KOJQTSPJBOQNBK-QHCPKHFHSA-N 432.532 2.018 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1727103214 MZIROADGWXYNGD-CQSZACIVSA-N 425.537 2.415 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)OC 1727955329 CKQRNWBJKORPDS-OALUTQOASA-N 447.561 2.167 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(C)CN(C)C1=O 1730763643 XSBMXOFJRMCGJD-HSZRJFAPSA-N 449.515 2.445 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1cc(CO)nn1 1740535053 NBIHXTFYSUOVDA-JKSUJKDBSA-N 427.484 2.189 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740571995 YNTNGZYTXDFSBA-IBGZPJMESA-N 442.589 2.456 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740575051 NYVCOKPJBOMOKU-REWPJTCUSA-N 449.603 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1740637146 ROWVVMKQTPFELZ-GOSISDBHSA-N 435.553 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(-n2cccn2)cc1 1740653509 OPADDEOKHMPWTD-OAQYLSRUSA-N 427.512 2.121 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1740671930 RVSXGUKNQUFIAE-AWEZNQCLSA-N 425.605 2.279 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740792255 WGCLLOIWVSZOLI-GOSISDBHSA-N 429.569 2.402 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](OC)C(F)(F)F)CC1 1740818877 XOJGUSKCTFYORG-OLZOCXBDSA-N 425.477 2.012 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC[C@@H]2C)CC1 1740828111 VYXOFXJUYXAZEV-KRWDZBQOSA-N 430.578 2.147 30 10 IEEE C=CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740882006 XELBMJVZIHCSIB-FXAWDEMLSA-N 426.583 2.298 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1740951952 QRZVZKUOEVRJQZ-OAHLLOKOSA-N 438.536 2.157 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740995284 GXHIACOWINNQKX-KRWDZBQOSA-N 436.626 2.025 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)OC(C)(C)C 1744646321 PSOORECHYQBXGR-UHFFFAOYSA-N 427.509 2.290 30 10 IEEE CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1745034439 CMGCFJDCZVOERS-KZLHXAFESA-N 430.553 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)C(=O)NC 1748649590 QEWVPBUFORHFAB-AWEZNQCLSA-N 429.521 2.201 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748658361 QPPIAJBTSOZSQG-NQIIRXRSSA-N 433.560 2.217 30 10 IEEE C#CCCCn1c(N2CCN(CC(F)(F)C(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1748764367 MEZFXNFLHLETPW-IBGZPJMESA-N 447.477 2.366 30 10 IEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749294542 CJVHXIJCCKPOMN-SFHVURJKSA-N 437.548 2.437 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1749387184 TTYBAJXSFWGFPS-IAGOWNOFSA-N 437.610 2.278 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749403145 XLYOZEMKLHHOCC-SJORKVTESA-N 435.594 2.032 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1749451883 KGCYBBCWFCMQIM-UHFFFAOYSA-N 438.536 2.002 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cccn2)cc1 1749590204 SIYMNESTEFPSGQ-UHFFFAOYSA-N 435.532 2.387 30 10 IEEE CC(C)=CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1750539287 NGUMJCXNDGEPTK-UHFFFAOYSA-N 434.552 2.275 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@](C)(O)C(C)C 1750965913 CJZLWJYWOABPID-HSZRJFAPSA-N 439.564 2.022 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCSC1 1751252193 HJQWWUOYVRSWSR-GZRFBZBPSA-N 433.509 2.154 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCS1 1751294462 CMVAMROZFRDIOQ-UHFFFAOYSA-N 434.591 2.088 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)C1(OC)CCOCC1 1760126641 FHBXQGARHOONHJ-ULQDDVLXSA-N 442.507 2.291 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H](C)C1CCC1 1760137457 KJKOBQUOXNMZKE-HKUYNNGSSA-N 437.610 2.429 30 10 IEEE C#CCCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760159296 BPUAFMOMKQZHQY-WMZHIEFXSA-N 431.581 2.425 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccnc1N1CCOCC1 1760168140 PCWUTJGZRVYKEG-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(N(C)C)CCOCC1 1760246262 NOXBYJVBGPTCML-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC=C)CC1 1760260594 YTXLRSBDVLHURI-UHFFFAOYSA-N 431.544 2.396 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCCCC2=O)CC1 1760262786 ALCVRFHEMLWWDC-UHFFFAOYSA-N 440.617 2.478 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2ccco2)CC1 1760264432 NFTFWZLTWSLTCG-QHCPKHFHSA-N 439.491 2.252 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1760305464 GVAULWNAUWZEQD-HNNXBMFYSA-N 425.331 2.217 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)OC)C1 1760309560 AZIJQTLGFLUHFC-AWEZNQCLSA-N 445.321 2.425 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccncc2)CC1 1760467310 GPPNFXRJSWZUNM-UHFFFAOYSA-N 449.607 2.369 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)OC)C1 1760539666 SHOMMWWKWYGTRL-FUHWJXTLSA-N 449.577 2.012 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCCC2)C1 1760543074 MPIQTFQOCRNHFR-QZTJIDSGSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC)[C@@H](C)C1 1760553670 YGJBVFCNPDUFIN-HNNXBMFYSA-N 438.985 2.125 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(F)(F)F 1761507710 JNTPDGAQFQILQO-YUELXQCFSA-N 442.467 2.194 30 10 IEEE CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766695068 PKJWOWOWBJHPRM-CEXWTWQISA-N 429.546 2.308 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1 1768904161 XGGWGUJYZUJPMV-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C(F)(F)F 1768942676 CUYDKXABCNZWJY-UHFFFAOYSA-N 444.483 2.391 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1nncn1-c1ccccc1 1770172510 LPSZLXXSUOBNLG-ZWOKBUDYSA-N 436.520 2.369 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)C[C@@H]1O 1770627932 UVWBZIRVSMUZRN-RBAQFSTRSA-N 425.533 2.487 30 10 IEEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)CC1 1770746255 BRJMZTKFFFOZTF-UHFFFAOYSA-N 429.912 2.268 30 10 IEEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)[C@H]1CC(=O)N(C2CCOCC2)C1 1849433778 LBBDVQGOIHSULJ-LBPRGKRZSA-N 433.306 2.022 30 10 IEEE N#Cc1ccc([C@H](CC(=O)OC[C@H]2CCNC(=O)CO2)N2Cc3ccccc3C2=O)cc1 1851119225 GPAMRHDPIQAVGP-CTNGQTDRSA-N 433.464 2.094 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)n1 1851603956 SFDGIUCZPQEMKP-UHFFFAOYSA-N 441.435 2.093 30 10 IEEE CCOc1cc(OCC)c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cn1 1851929986 UZKSARDPLANZDA-UHFFFAOYSA-N 425.489 2.125 30 10 IEEE N#Cc1ccc(-c2ccc(C(=O)NCCN3CCN(S(=O)(=O)C4CC4)CC3)cc2)cc1 1852725908 QKAHLMQVYFAJKH-UHFFFAOYSA-N 438.553 2.065 30 10 IEEE Cc1ccc(C)n1[C@H](CC(=O)N1CC[C@@]2(C1)C(=O)N(C)C(=O)N2C)c1ccc(C#N)cc1 1853039910 FHVUHPLLUOYFMM-HYBUGGRVSA-N 433.512 2.451 30 10 IEEE CC(C)Oc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857042076 RIUZHWVHSZIEBM-GOSISDBHSA-N 433.530 2.028 30 10 IEEE COc1cc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc(OC)c1OC 1858421673 BENFUMDRSSIGIZ-HNNXBMFYSA-N 445.497 2.233 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(C)nn2CC 1864319241 PTBADXXRAHIVST-LJQANCHMSA-N 425.533 2.149 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1866581174 ZUMLUIZYTBZOPR-UZLBHIALSA-N 443.500 2.188 30 10 IEEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCCCCC3)ncnc21 1873596137 JDYZIXSFIBKHKZ-UHFFFAOYSA-N 442.545 2.423 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874344641 XYXYZDIJCMTSNZ-YDZHTSKRSA-N 439.497 2.130 30 10 IEEE O=C(NCC#CCN1CCOCC1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 1890815721 QRIMEYFZKCRPPT-UHFFFAOYSA-N 437.883 2.206 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCOCC2 2054338490 CQDVEIKWRJXKHO-CYBMUJFWSA-N 439.372 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)[C@@H]21 2060635193 JHNPDUWRJABSEI-YESZJQIVSA-N 434.342 2.411 30 10 IEEE O=C(OCc1ccccc1)N1CCc2nn([C@H]3CCCS(=O)(=O)C3)c(C=NO)c2C1 2069970116 JKAXQLJIIDDHRY-INIZCTEOSA-N 432.502 2.136 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCOC1 2085655903 CJOBDOXSZLTSQJ-OAQYLSRUSA-N 433.314 2.003 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCc2ccc(C#N)cc21 2189921809 QRQWRUMUZGBNQH-OAQYLSRUSA-N 427.457 2.275 30 10 IEEE C#CCCOCC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215062569 LUTSYKRVYOYAHQ-UHFFFAOYSA-N 439.553 2.343 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255370666 VUWNHJQRJYMWEM-MRXNPFEDSA-N 433.358 2.453 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 2255694086 LODVRHUUQUXSLR-INIZCTEOSA-N 433.358 2.454 30 10 IEEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255752337 IRJVILURYMJVKF-UHFFFAOYSA-N 442.390 2.491 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826629 CCJWAWVVKDFHIC-CQSZACIVSA-N 436.362 2.426 30 10 IEEE CC(C)N(CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255830996 OMDPVYKLWCYSOI-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2257490651 FRUQQOHONAYEAU-UHFFFAOYSA-N 435.330 2.218 30 10 IEEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267093092 QMCTWDSJWCYLHL-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCN(Cc2ccccc2)C1 2267131473 BNWIWHVRIQFVIP-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2267503206 ZKJMEMFELKQRGT-UHFFFAOYSA-N 438.333 2.383 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267877344 ULTJLPKZTBSRJG-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268632592 LXVONTAWXMMXLC-HNNXBMFYSA-N 447.341 2.345 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)nn1 2268647259 OAGSOPFQRMXLJY-INIZCTEOSA-N 447.345 2.171 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268647741 QUFKVIHAZQMPKR-ZBFHGGJFSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2314143529 CXEOIURPYNXXES-KGLIPLIRSA-N 432.330 2.265 30 10 IEEE NC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc(Br)ccc1F 2330939109 GIMAQNFIMFCBID-GFCCVEGCSA-N 428.287 2.491 30 10 IEEE CC(C)(C#C[C@@H](NN)c1ccc(Cl)c(I)c1)S(C)(=O)=O 2365194891 WGVZYGFDOCWATH-GFCCVEGCSA-N 426.707 2.276 30 10 IEEE N#Cc1c(CCCNC(=O)c2ccc(-n3cncn3)cc2)nn(-c2ccc(F)cc2)c1N 31118728 WJSJUGYPLPTRFD-UHFFFAOYSA-N 430.447 2.409 30 10 IEEE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 34705627 ZVGIFTBMAZNHPQ-HMHNVIDESA-N 432.571 2.402 30 10 IEEE COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3C#N)C[C@H]12 35870361 CPMLUEKTCKHYHM-SIKLNZKXSA-N 435.484 2.097 30 10 IEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C1CC1 431229713 GAIRMRIPZDKIEC-CYBMUJFWSA-N 445.610 2.258 30 10 IEEE CCOC(=O)c1nnc(SCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)s1 447332305 UQYXMYSGCSFRLR-OAHLLOKOSA-N 449.533 2.355 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCO2)cc1 460927610 JJMPFIPONTXHBQ-ZWKOTPCHSA-N 446.577 2.325 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 461300287 XLWRTRSJCQDUJC-UHFFFAOYSA-N 427.530 2.256 30 10 IEEE Cc1cccc(O[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 466228019 RPFMETQDVQHLAX-SFHVURJKSA-N 442.541 2.350 30 10 IEEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 475309839 YUEXJKMVXZERTD-FCHUYYIVSA-N 445.523 2.496 30 10 IEEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 489996510 LXKLMLFJEDUTNH-PKOBYXMFSA-N 432.546 2.052 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 522536199 ZGPIQXJDDBZFDL-UHFFFAOYSA-N 447.491 2.009 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)CC1 524498367 MAOUMDWXBLIOOP-FQEVSTJZSA-N 427.593 2.048 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cn(-c2ccccc2)nn1 542617688 FUFVPLXMTODTOZ-PXNSSMCTSA-N 435.557 2.388 30 10 IEEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC(=O)c2ccc(C#N)cc2)s1 551554579 FSDOJSQAXZSSJT-UHFFFAOYSA-N 433.555 2.486 30 10 IEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 559002541 RTTPEDAVXCAKET-OAQYLSRUSA-N 425.581 2.147 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CCC3CCCCC3)n2C[C@H]2CCOC2)CC1 559239308 DFVWCRBCPQNUMY-OAQYLSRUSA-N 444.624 2.252 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(C)cc1 580418194 NHEVNBUXQIJFPO-LJQANCHMSA-N 449.577 2.011 30 10 IEEE CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccccc1OCC(=O)N(C)C 585721169 RRJNWVWLWXGYIY-IBGZPJMESA-N 440.475 2.048 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 608826404 AXDAUAPVQOZYPI-WMLDXEAASA-N 441.509 2.115 30 10 IEEE C=CCOc1cccc(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)c1 729562689 AXMXFFMKBKLCPN-UHFFFAOYSA-N 446.309 2.298 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1-c1cccc2cnccc12 731288272 OWLXYACJYWAFQM-UHFFFAOYSA-N 432.465 2.255 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 734291436 PNBOWWNMODZVIS-UHFFFAOYSA-N 432.465 2.423 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 739831259 LWOTXIFIWYTSCO-UHFFFAOYSA-N 433.491 2.478 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cccc(C#N)c2)C1=O 748318592 RUZNWAOXSCTONU-QHCPKHFHSA-N 435.436 2.068 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 754309131 CFBOQIQSVFJQGJ-YJBOKZPZSA-N 440.500 2.328 30 10 IEEE Cc1cc(C)cc(OC[C@@H]2CN(CN3CCN(c4nccnc4C#N)C[C@H]3C)C(=O)O2)c1 758350788 GOINRQIGXPLJLG-QUCCMNQESA-N 436.516 2.333 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C[C@@H]1CCCO1 758560384 PAFLZRRURRLKTE-AWEZNQCLSA-N 431.583 2.397 30 10 IEEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)Cc1nn(C)c(=O)c2ccccc12 759237476 UKEKEYVNJZODPH-INIZCTEOSA-N 434.452 2.189 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CCCCC1 760405033 WDLJJVSMNZOXSP-UHFFFAOYSA-N 446.573 2.035 30 10 IEEE COc1ccc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1CO 763032974 PRJJCRGLJUUDHX-QGZVFWFLSA-N 431.514 2.279 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1Br 788652421 JJSIIMRDARTWIG-BBRMVZONSA-N 441.303 2.427 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)n1 789223707 NCHDJHHMSBIECL-IEBWSBKVSA-N 433.553 2.320 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 790841100 HJPADRTUHKRXDX-UHFFFAOYSA-N 436.530 2.418 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1-c1ccccc1C 799933986 IVCPPBZVYRVBDU-UHFFFAOYSA-N 449.507 2.160 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCO2)cc1 802693556 XHZXJTZKFQSBPM-RBBKRZOGSA-N 436.560 2.427 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(C)(C)C 807884630 RPXGDVXOPOEXST-INIZCTEOSA-N 443.363 2.248 30 10 IEEE C[C@H](CC(=O)N[C@@H](c1nccs1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 818313298 NBQMDWGSSFOUTC-RNCFNFMXSA-N 432.449 2.380 30 10 IEEE C=CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccccc2I)CC1 1190445383 HBQCTXCPPOAWNW-HNNXBMFYSA-N 428.270 2.167 30 10 IEEE C#C[C@@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C1CCOCC1 1192799571 ZOKYTRCNJUDYTF-IQMFZBJNSA-N 435.365 2.169 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286554456 HKWKHYSULHCYQK-DYXWJJEUSA-N 431.581 2.458 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286784836 VKFIHMYENANPLX-WCJKSRRJSA-N 429.496 2.159 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286799401 UVLTYWSQUURVLB-PKOBYXMFSA-N 425.533 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC(C)C)C1 1286808969 FPCGOLGUNKLPTA-YLJYHZDGSA-N 441.532 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccccn2)CC1 1286821770 AKCRXLAJDCLCFS-UHFFFAOYSA-N 444.605 2.333 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1286832007 NYXPEQBNXZSPAF-CRAIPNDOSA-N 429.546 2.377 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1286962273 YJDFKDQPDGWDCZ-OXJNMPFZSA-N 441.598 2.128 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1288517206 AOBHKNWNYMKUKM-IXDOHACOSA-N 443.577 2.103 30 10 IEEE COc1cc2nc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c(=O)n(C)c2cc1OC 1291642110 ZCXRSFDRWLRXHV-UHFFFAOYSA-N 449.511 2.026 30 10 IEEE CCc1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1293011035 WNIDCSHNYRFUMU-FMQUCBEESA-N 428.443 2.208 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CC(F)(F)CO)CC2)cc1C 1300072720 IXCJSWRRQJPFJO-UHFFFAOYSA-N 431.487 2.466 30 10 IEEE C#CCCCn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1300424416 GKPOMXDZIVSDKG-JOCHJYFZSA-N 444.605 2.431 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1300491972 KLRQPSWVANBIGL-SFHVURJKSA-N 429.546 2.014 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300990358 JRTSFVKNEIWPGL-PZJWPPBQSA-N 432.613 2.058 30 10 IEEE C=CCCOCCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1301258830 BHXNDJWRRIBSCK-UHFFFAOYSA-N 427.615 2.419 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1301294049 LFZHZBOGOFQCFZ-CQSZACIVSA-N 427.571 2.106 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(C)(=O)=O)C1 1301545346 FYSVCXYJIWIWAK-QGZVFWFLSA-N 427.530 2.319 30 10 IEEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c2ccccc21 1301656686 HQEMXCYSLCFPQC-RUZDIDTESA-N 432.524 2.282 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1303633607 HQUOSBLCTAEMCH-SFHVURJKSA-N 432.532 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1303726690 CZKQQZJIMCRIRE-HUUCEWRRSA-N 440.422 2.202 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OC 1309864444 UVFINOWUICOFCU-JTQLQIEISA-N 432.296 2.207 30 10 IEEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1314669932 HKSNZELFEDEUSZ-UHFFFAOYSA-N 434.548 2.050 30 10 IEEE CN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1)C1CC1 1314678618 JLEHRYWRQFRSJE-UHFFFAOYSA-N 426.502 2.307 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2[C@@H]2CC[C@@H](OC)C2)cn1 1321036381 XIESNSAUFVREPZ-MGPQQGTHSA-N 447.483 2.471 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(OC)nc2)CC1 1359032806 DEFLJISQOUZJNK-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C)N2CCCCC2)CC1 1359047578 MBOSTLKSCZEMSJ-TZIWHRDSSA-N 442.608 2.360 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359053566 RANBDYXLPNSOPY-HZPDHXFCSA-N 431.587 2.441 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1359054653 CGJVXEZHOGPXKH-LJQANCHMSA-N 436.541 2.386 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359197007 AHYFTTZYSMNRTQ-KRWDZBQOSA-N 442.568 2.445 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1359264567 IJXIODRSSMFEOA-UHFFFAOYSA-N 431.562 2.196 30 10 IEEE C#CCOCCN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1457392918 FNTZXNVSTAZHEP-CYBMUJFWSA-N 449.392 2.162 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1460110388 JJOANXGBIYISMZ-UHFFFAOYSA-N 431.448 2.179 30 10 IEEE N#CCc1ccccc1S(=O)(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 1462774837 DQGOIZSIGRBRCL-UHFFFAOYSA-N 429.527 2.371 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(-n3ccc(C(=O)OCC)n3)c(F)c2)CC1 1467141995 AWEBNLFQZZCHEA-UHFFFAOYSA-N 441.463 2.181 30 10 IEEE N#CC[C@@]1(O)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1469404731 HLQUJAXATIILMI-RDTXWAMCSA-N 425.272 2.075 30 10 IEEE COC(=O)C1(c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)CC1 1475594771 HRLODBMZGNQJCX-UHFFFAOYSA-N 443.500 2.413 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1494236309 OIGYNGJIUBCMLZ-LPHOPBHVSA-N 446.502 2.398 30 10 IEEE CCOCc1nnc(N2CCC(Cl)=C(Cl)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1503060759 MXDGRRMFTMMZIR-WUKNDPDISA-N 441.319 2.240 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507628773 IHEQAYPUQVEDRV-SFHVURJKSA-N 445.589 2.420 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507630728 GNMFRTHWBGHMIK-IBGZPJMESA-N 444.605 2.022 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2CC2(O)CCCCC2)n1 1507716448 KYJPQLOSHFIVQF-UHFFFAOYSA-N 437.548 2.451 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1508088433 ATAMCSZCQOSYRR-WOJBJXKFSA-N 445.656 2.164 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC2(CCC(F)(F)CC2)C1 1508095795 VJTBSBGGNFAIQG-UHFFFAOYSA-N 436.507 2.109 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1508098223 YUDRBBHNZKTYSH-XMSQKQJNSA-N 445.951 2.269 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1510288204 OANTUFIYWPCHKZ-OAQYLSRUSA-N 442.545 2.008 30 10 IEEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCCO2)CC1 1510294721 RAEIMBWZHMCRKX-SFHVURJKSA-N 430.553 2.116 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H](C)S1 1512495601 BOXNSROKQAGLGD-HOTGVXAUSA-N 449.602 2.494 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2nccnc2C)CCOC1 1516177753 AVNSSDIVXKEOSK-JOCHJYFZSA-N 425.537 2.401 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1517070784 RJUZCVSCUGJUQR-UHFFFAOYSA-N 449.515 2.077 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CC=CCC1 1519131557 OJZIHFKYMJBUKD-UHFFFAOYSA-N 446.559 2.465 30 10 IEEE CS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1519527643 BLAPMVSDKRVJNX-UHFFFAOYSA-N 442.589 2.254 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1520732950 UUHSKVHJVNCCOE-WIEQDCTASA-N 431.541 2.272 30 10 IEEE N#Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cc1 1528528201 QKPVMIULGOBQCZ-UHFFFAOYSA-N 432.933 2.366 30 10 IEEE Cc1c(C(=O)Oc2ccc(C#N)cc2I)nnn1-c1ccn(C)n1 1530758474 FBLGEBLFQALXSM-UHFFFAOYSA-N 434.197 2.005 30 10 IEEE C#C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 1537430189 ASNFVSWTIGEWRA-FXAWDEMLSA-N 427.482 2.486 30 10 IEEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)CC2)C1 1538886507 BVGDPONJUGWXKS-IBGZPJMESA-N 432.542 2.093 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCCC 1539003228 MWQNXDZWHGJLOV-MRXNPFEDSA-N 435.532 2.049 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539058678 IBGFNGAEIHIVBC-UHFFFAOYSA-N 447.543 2.194 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1539343631 NYIAXFDOJLRURY-QZTJIDSGSA-N 448.593 2.168 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCn2ccnc2C)CC1 1539460152 YJMXBLDDYHAXPK-UHFFFAOYSA-N 433.560 2.434 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C2CC2)N(C)C)CC1 1539484377 MWOCQLCSXMZATA-QHCPKHFHSA-N 448.615 2.369 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539707796 LUJYYTLPYVNWLZ-UHFFFAOYSA-N 430.503 2.124 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)CC[C@H]1C 1540901398 BZCLLVFGTDYDTJ-LSDHHAIUSA-N 435.550 2.231 30 10 IEEE C#CCN(CC(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)C(=O)OC(C)(C)C 1545472007 SEHOTSFOXDZHLF-SFHVURJKSA-N 431.533 2.265 30 10 IEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CC(C)C 1548371052 IASQJIYPNZJOGK-SFHVURJKSA-N 440.466 2.403 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554157605 AXROLMFKVGKQTL-BSBNDGSWSA-N 440.479 2.084 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 1554593576 DDEAHQCWTCLHDQ-IIBYNOLFSA-N 446.577 2.360 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1587189177 NICHZJVOXKZFKR-KRWDZBQOSA-N 427.432 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1c(F)cccc1F)N(C)C 1588074828 STAOTUNLYVQDSD-SFHVURJKSA-N 428.487 2.070 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Br)s1 1588128997 WJQUOAKANRQJOY-AWEZNQCLSA-N 432.347 2.369 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)CC1 1588263797 YGEBWLOHKGQYPX-UHFFFAOYSA-N 447.524 2.006 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1593730347 WASWQLZGVMNTIX-OAQYLSRUSA-N 425.581 2.149 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)NC)CC1 1594429923 FGWWWVDDMUQPAS-UHFFFAOYSA-N 439.969 2.462 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1594693232 UPHYHJNQXYJQIL-UHFFFAOYSA-N 431.562 2.373 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595476817 NNPAGKZKSPPCDJ-GJZGRUSLSA-N 446.939 2.041 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1611740666 KBBZZLHLIPMQNJ-BMGDILEWSA-N 442.495 2.201 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c1OC 1616488111 LSPYRUAGKGNUGO-IVZQSRNASA-N 449.479 2.360 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1617203763 JFHSERSRSKPCMZ-SFHVURJKSA-N 442.520 2.480 30 10 IEEE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cn1 1623158636 XPWYELRGWJRFJR-OAQYLSRUSA-N 435.484 2.440 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)s1 1631674655 OCARMBLXGUQWBF-ZIAGYGMSSA-N 443.591 2.269 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[C@H]1N1CCN(C)CC1 1631784445 RNWLCRGHKCZZPG-VAMGGRTRSA-N 435.613 2.448 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CS(=O)(=O)CCCc3ccccc3)C2)nc1 1645085029 JDYDVZMFSYERQU-HXUWFJFHSA-N 426.542 2.404 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1[nH]cnc1CCN2C(=O)CNc1ccc(C#N)cn1 1646078032 XMWSIHWEVBZYBQ-JOCHJYFZSA-N 437.504 2.009 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](O)C3CCCC3)nnc12 1654780000 MSLVEBCFBYBFEP-GOSISDBHSA-N 441.557 2.380 30 10 IEEE C#C[C@H]1CCCCN1C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1668998103 JJWQABHDKMCPLL-SFHVURJKSA-N 449.573 2.302 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1676182328 NHGZQZUUIHIJSL-BRWVUGGUSA-N 443.552 2.071 30 10 IEEE C#CCN(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 1686899782 QIORGQONUHODIL-LUKYLMHMSA-N 426.579 2.211 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)C1 1687593517 SBDZEZNLUGHBSI-BZSNNMDCSA-N 428.499 2.449 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689996268 GEUPNRYRZHTZDR-UXPWSPDFSA-N 444.605 2.203 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)[C@H](C)CC 1690006643 VYLZBYYJQYXSPB-VGSWGCGISA-N 428.558 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1nc2cc(OC)ccc2n1C 1690043216 TYFFWIXSWCSYPV-UHFFFAOYSA-N 428.500 2.085 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)C(=O)NC 1690062278 JLGHOOSTECPXRX-UHFFFAOYSA-N 429.521 2.203 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1690129426 XAEIXOJHWGFODC-QGZVFWFLSA-N 436.585 2.491 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1690242791 CNDUAWSKDBXNJW-YLJYHZDGSA-N 427.553 2.107 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690451676 MVIVQOXUMMECHU-DLBZAZTESA-N 435.598 2.362 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1C 1690613770 SUVPSWVPYZWJQA-UHFFFAOYSA-N 444.561 2.078 30 10 IEEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690734218 YUCBPSYCEAJGQQ-MAUKXSAKSA-N 449.552 2.428 30 10 IEEE COCCOCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1698216677 RSNWQKSVYJUEHS-IPMKNSEASA-N 435.569 2.369 30 10 IEEE CS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698307980 OUPUZGIQMOBHHO-UXHICEINSA-N 436.541 2.052 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705558765 HGRNCTBEUDFVFP-OIMFZILRSA-N 445.564 2.456 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1705661322 YRWHAVWYZLMULW-UHFFFAOYSA-N 439.564 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1705668334 JCAAWFGHUFRQKT-IIBYNOLFSA-N 449.552 2.441 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1705873444 IVMCBURBWCQOIS-UHFFFAOYSA-N 431.504 2.030 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1705946416 HGOQZQCYASQMQG-KRWDZBQOSA-N 443.639 2.301 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1712090977 DLBCQFJHYFDCOV-VDZJLULYSA-N 447.561 2.138 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C2CC2)CC1 1722346408 QDNOMTQQCJFYQD-UHFFFAOYSA-N 427.574 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722434954 BYUSOTDZVSXASC-KRWDZBQOSA-N 447.992 2.179 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCC[C@H]2C)CC1 1722440922 DYDXFVYIDFKHSP-HXUWFJFHSA-N 438.576 2.105 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1722525869 CGLKYUNJTWJHEF-OAQYLSRUSA-N 431.610 2.289 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1722554279 DABIUWRKFXKJQA-CVEARBPZSA-N 444.001 2.065 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722608624 IQBAXWKXVYYKNO-VQIMIIECSA-N 444.561 2.304 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1722609786 FNNIOACTZSJIHR-OAHLLOKOSA-N 447.609 2.331 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1722728868 ZOVNDYRGIYUWBD-RTBURBONSA-N 444.536 2.221 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2nccs2)cc1OC 1730095324 HBMGRNVIKASTKI-OAHLLOKOSA-N 426.502 2.390 30 10 IEEE COCc1nocc1Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1730539848 FPSKJIFTDMSNIB-OAQYLSRUSA-N 430.509 2.241 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([S@@](C)=O)CCC1 1730761803 IDWOWCGKJCEWEH-WJOKGBTCSA-N 445.545 2.341 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740557250 IELDVGPAHPRVDI-MSOLQXFVSA-N 440.573 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2nsnc2c1 1740646691 IKSBBFSVWJNZBS-JOCHJYFZSA-N 436.541 2.446 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CC(=O)NCC(F)F 1740734016 WMPQPFOCGNLDJN-JOCHJYFZSA-N 431.487 2.445 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1740785879 HPLLBRGDWFOSMF-FQEVSTJZSA-N 433.582 2.247 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1740791001 QPBWDFCNARIMSX-UHFFFAOYSA-N 436.516 2.203 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)Cc2ccccc2)CC1 1740832955 JJZAKKDFGAKQPU-SFHVURJKSA-N 446.621 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2)C1 1740992426 PTIDTRMWTSNZBB-UXHICEINSA-N 446.573 2.351 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccco3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742314299 JPWNMJZIZMELGM-XUTLUUPISA-N 433.472 2.404 30 10 IEEE CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1743451784 JVKNTLHCKBZNNC-QHCPKHFHSA-N 448.531 2.103 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748824779 SXHZSMWCLDUMEF-RBUKOAKNSA-N 446.573 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)O)CC1 1749016023 WRBYNBPLDIGUQQ-UHFFFAOYSA-N 439.560 2.211 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCC[C@@H]2CO)CC1 1749318026 ZISDSZZLDKPMTD-HBMCJLEFSA-N 433.597 2.395 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1)C1CC1 1749506675 RKVKUMSSXRNSHB-UHFFFAOYSA-N 434.342 2.328 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749658505 LBWZSMRXUQQQGK-OAHLLOKOSA-N 445.545 2.253 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCc2ccccc2C1 1749828639 FGMFFXZQMXJBMW-LJQANCHMSA-N 448.575 2.492 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1750081304 IOFQIPVHKLHARD-GCJKJVERSA-N 443.573 2.174 30 10 IEEE CS(=O)(=O)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1750201981 NPKOFMRWOFECKK-SFHVURJKSA-N 427.452 2.024 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(F)c(Cl)c2)CCO1 1750387897 DOELVRSDTDEMNV-OAHLLOKOSA-N 448.886 2.001 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccco1 1760112351 FPBFVKGBBITZAL-SBUREZEXSA-N 435.532 2.411 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1760123418 FRTKBLBAVRMMRJ-LJQANCHMSA-N 440.592 2.350 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760135375 TUINYVJDROCFOO-AUSIDOKSSA-N 449.603 2.441 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760189618 QHCFZDSSODHDJH-GOSISDBHSA-N 426.546 2.252 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760283678 XFNMDJQXKNKUDV-QGZVFWFLSA-N 435.594 2.327 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1760399089 YQLLXJFCPAESFA-KSFYIVLOSA-N 446.573 2.291 30 10 IEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1760441340 FELATTCXQWUOAC-UHFFFAOYSA-N 433.578 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)C1 1760541610 FHNMTVPECMGGAS-IAGOWNOFSA-N 426.583 2.167 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1761283140 IJJLBSOHUSXNRP-ZWKOTPCHSA-N 448.465 2.255 30 10 IEEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1761312300 ODWGVAPLQUIQIC-UHFFFAOYSA-N 448.531 2.219 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1763661055 GVPYICXROYQNRY-HXUWFJFHSA-N 432.532 2.484 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763957427 KNVWUWSJRCHCCB-LQTLECTNSA-N 436.516 2.477 30 10 IEEE CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1764264908 RWWDSSVFHZEHLT-HXUWFJFHSA-N 432.532 2.282 30 10 IEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1765009831 HUDUDNAREZEGTD-LJQANCHMSA-N 430.578 2.172 30 10 IEEE CN1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC(CC#N)CC2)CC1(C)C 1767526533 CONZDGDYGFXUNH-UHFFFAOYSA-N 436.608 2.420 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1768164017 VQXBPIRBVZWUMB-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE CN1CC[C@@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)C1 1769063943 BVOQKRSNUIKFSS-GIHONLOASA-N 430.597 2.393 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)CC1 1770740605 JUKUHGJWCKEDLI-UHFFFAOYSA-N 437.382 2.272 30 10 IEEE COCc1nocc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1770873319 BSYLVVGGUNNOJE-KDOFPFPSSA-N 442.451 2.469 30 10 IEEE C=CCN1C[C@@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)CC1=O 1852044457 DTSWBZFDGGGFIO-LBPRGKRZSA-N 447.236 2.079 30 10 IEEE COc1ccc(-c2nc(-c3ccccn3)nc(N(C)C(=O)[C@@H]3CN(C)C=N3)c2C#N)cc1 1852422450 FZNCVGMRMJTHRT-IBGZPJMESA-N 427.468 2.391 30 10 IEEE Cc1ccc(S(=O)(=O)N2CC[C@H](OC(=O)Cc3cc4c(cc3C#N)OCO4)C2)cc1 1853230658 UYMHLSOHPFNDQA-KRWDZBQOSA-N 428.466 2.144 30 10 IEEE COc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)[C@H]3C)cc2)c1 1854237727 CYENWRWKDPZRRV-OAHLLOKOSA-N 427.482 2.024 30 10 IEEE C[C@H](Oc1ccccc1)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1855986886 HKTNNQJJZZQTAH-HNNXBMFYSA-N 427.482 2.104 30 10 IEEE Cc1ccc(C(=O)N2C[C@H](CN(C(C)C)[C@@H]3CCS(=O)(=O)C3)CCC2=O)cc1C#N 1856664306 LJIRKEAYXHTSTB-FXAWDEMLSA-N 431.558 2.143 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3ccc(F)cc3Cl)C2=O)CC1 1857072592 GKZTYZKFXUEESH-GOSISDBHSA-N 427.867 2.309 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc(C)cc2)cc1 1859012466 FZBUKCGCONHDEQ-UHFFFAOYSA-N 428.510 2.335 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870568468 CQFAQBQNENNFRY-UHFFFAOYSA-N 434.581 2.031 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871538630 KFAWQBCOLUDCAY-UHFFFAOYSA-N 434.504 2.065 30 10 IEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871639595 BQCVPOLXKQDKAM-UHFFFAOYSA-N 445.575 2.471 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(OC)c1O 1874500888 FJGIANBBWGSHSP-ZVBGSRNCSA-N 431.474 2.022 30 10 IEEE COc1cccc(N2C[C@H](C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)CC2=O)c1 1890265971 YEXRVPYAKFCLLB-GOSISDBHSA-N 433.512 2.442 30 10 IEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)C2)c1 1891294429 BPQOCMZNEUVVDJ-FQEVSTJZSA-N 429.480 2.489 30 10 IEEE Cc1nc(I)c(I)n1-c1nccc(C#N)n1 1936387617 DOXIHQLNNHRGES-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1 1993306906 SNCMAINLVRCFMX-UHFFFAOYSA-N 427.542 2.239 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2060624295 WYAWIJICQRGJTF-UHFFFAOYSA-N 432.330 2.409 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068913111 VNGOUYPHRQJUQH-VVONHTQRSA-N 436.358 2.442 30 10 IEEE C#CCn1ncc(N[C@@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162329763 LMLRXZPTXCHRKJ-OLZOCXBDSA-N 441.326 2.123 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2224099374 GDBGCQUDEJBIQJ-SVGFKBNWSA-N 431.342 2.473 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247906463 NQZDDAJRSDDONG-QWHCGFSZSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248402702 ZXTSXJVSYXWGFC-UHFFFAOYSA-N 436.303 2.160 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248404196 KXWMIWCUWSTEHF-TZMCWYRMSA-N 440.371 2.110 30 10 IEEE COc1cc(C(=O)NCCONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255627046 NGKKUOAGHCDUDD-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)(C)OC(=O)Nc1ncc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)s1 2255631400 YIPSDEJAKDAESI-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)ns2)OC1(C)C 2255638194 JLOFZHYDRAYBKO-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255804431 CSXHQKJVGZTSTG-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE Cc1cnc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255865740 KUGRRTJMYZRBNC-GOEBONIOSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256614732 PGVGERXTWHLTIJ-ZBFHGGJFSA-N 433.314 2.002 30 10 IEEE C[C@@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256617900 NCNCHWCQXFMHBT-RHSMWYFYSA-N 434.342 2.049 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C 2267491872 KEYMZYJWDLUDOW-IBGZPJMESA-N 438.381 2.360 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2267496338 ABAXFRHSNIXXPS-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2nc(=NS(=O)(=O)c3c(Cl)cccc3Cl)s[nH]2)OC1(C)C 2284131817 YSUMPSSEONGTIS-UHFFFAOYSA-N 436.151 2.367 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)c1C 2296114307 WHSNCFKNVQXCTR-GOSISDBHSA-N 429.473 2.303 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)c1OC 2296610764 PQQLECRLQSVGDN-IBGZPJMESA-N 442.516 2.417 30 10 IEEE CC#CCN(CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 2300571397 BDAQNPZCVDCKEZ-HNNXBMFYSA-N 441.525 2.121 30 10 IEEE COc1cc(C=Nn2c(C)nnc2SCC(=O)NCc2ccco2)cc(OC)c1O 2321132647 ZXSJFRUPVFVDKD-UHFFFAOYSA-N 431.474 2.193 30 10 IEEE C[C@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H]1NC(=O)C(F)(F)F 2322309947 YYXNUCFKJVUUGG-FZMZJTMJSA-N 431.239 2.413 30 10 IEEE CCOc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)c1 2330717983 VMUPEXZHCNUHOT-UHFFFAOYSA-N 432.550 2.156 30 10 IEEE O=C(N/C(S)=N\NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O 3669168 LELOCBRZXLGNSK-UHFFFAOYSA-N 437.886 2.356 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3sccc3C(N)=O)nnc12 9507107 XKHKEVPOWOGPOK-UHFFFAOYSA-N 440.510 2.121 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(C(=O)NCC)c3)cc2C1=O 19043762 LDAPZYRFVSRCNT-UHFFFAOYSA-N 435.436 2.014 30 10 IEEE Nn1c(N/N=C/c2ccc(F)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20528073 IUYUCRHROMTJAU-LSHDLFTRSA-N 443.464 2.079 30 10 IEEE C=CCN1C(=O)N[C@H](c2cccc(C)c2)C2=C1CN(CC(=O)NCc1ccccn1)C2=O 35965583 JCBULCFJNSVJMR-JOCHJYFZSA-N 431.496 2.055 30 10 IEEE CSc1nc(C)c(CCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c(=O)[nH]1 109892247 WRIRMEAQUVZHEA-INIZCTEOSA-N 443.554 2.145 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 460392107 XDPUJDRYNJYCOO-BBWFWOEESA-N 443.639 2.298 30 10 IEEE COc1cc(CNC(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)ccc1C#N 462469950 BINBTUHCPJFQKO-UHFFFAOYSA-N 429.565 2.192 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C12CCCC2 466435077 WCXLNTXSMRPMNO-WOJBJXKFSA-N 446.573 2.312 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@H](COc4ccccc4)C3)C2=O)cc1 481536389 SSVFWACIXKUDGE-LEWJYISDSA-N 448.479 2.070 30 10 IEEE CC1CCC(NC(=O)CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 506190064 KSKNIZSPSRSOFP-QPFKGPCDSA-N 434.581 2.087 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 508937833 DMNBCWCSHUPLDX-UHFFFAOYSA-N 448.549 2.472 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)cc2)c1N 521018067 OTOUSVKRYGPKKM-UHFFFAOYSA-N 440.460 2.257 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C3CC3)c2=O)cc2c1OCCO2 523864591 VTERLSGHRCXJSJ-UHFFFAOYSA-N 440.521 2.143 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)NCc3ccccc3)cc21 526839497 IEQWVMVEAYUPQG-RKXCMPKHSA-N 440.521 2.234 30 10 IEEE N#Cc1cc2c(nc1NC(=O)C1CCN(S(=O)(=O)c3cccnc3)CC1)CCCC2 538274669 XJJMMDBWWXEGFL-UHFFFAOYSA-N 425.514 2.266 30 10 IEEE CCN(CC)C(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 540551006 WEZIEINBGLXWEM-QFIPXVFZSA-N 443.567 2.115 30 10 IEEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 561304562 KCBZHMIXZZLFNF-GJZGRUSLSA-N 448.951 2.391 30 10 IEEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 585226847 CGVMWRUNQCLNMX-UHFFFAOYSA-N 432.406 2.338 30 10 IEEE COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cccc(C#N)c2)cc1OC 586171662 BXXDVLMWTAVKQQ-UHFFFAOYSA-N 445.541 2.099 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(F)cc1 603990518 ITKQFQDVWDTRHZ-UHFFFAOYSA-N 449.507 2.002 30 10 IEEE COC[C@H](C)N=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1cnn(C)c1 727972355 RHWJQOXTRBVGQC-UONOGXRCSA-N 440.529 2.487 30 10 IEEE C#CCN(C(=O)c1ccc(OCc2cccnc2)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 729331417 CRGDJRUNZQEOJL-IBGZPJMESA-N 428.510 2.322 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCc3ccccc32)CCN1C1CC1 732706826 QNVRNFLSDWLJSI-OAQYLSRUSA-N 429.524 2.387 30 10 IEEE CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 752097912 CMZUPBGAFWDSTM-MRXNPFEDSA-N 435.322 2.374 30 10 IEEE Cc1ncsc1-c1nc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 761173606 SEMHFFBIRFWKAV-SNVBAGLBSA-N 447.498 2.062 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)cn1 764430770 PJUYEGUPAIEOOG-UHFFFAOYSA-N 444.423 2.110 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 775945203 GRJIEKPWEDQYSV-ROUUACIJSA-N 447.605 2.446 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 777321052 ZYTRBRFTSUURCB-NRFANRHFSA-N 445.472 2.422 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 782605265 FYDQRPIFTNWRHN-UHFFFAOYSA-N 425.388 2.120 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 783011164 LDUZKNHOPNUNMW-INIZCTEOSA-N 437.566 2.028 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1C#N 793402279 XVFMUYGLZKIJHI-UHFFFAOYSA-N 429.907 2.139 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC=C(Br)C2)CC1 799326284 ISEXKYYXALYVAL-UHFFFAOYSA-N 446.305 2.439 30 10 IEEE COc1cc2c(cc1F)CC[C@@H]2NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 801554697 ODZBYXLFNBZENK-KRWDZBQOSA-N 431.489 2.457 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802612402 MSVWNFAIOZFYHY-HXUWFJFHSA-N 435.532 2.332 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)C2)n1 856675910 DIODZJSMZABYFN-WAIKUNEKSA-N 432.484 2.239 30 10 IEEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)cc1 914551673 JTAKEODJKKYJTI-QGZVFWFLSA-N 428.489 2.210 30 10 IEEE COc1cc(/C=C\C(=O)c2cccc(S(=O)(=O)NCCC(=O)O)c2)cc2c1OCCO2 916154555 KUEUDLKODONARN-WAYWQWQTSA-N 447.465 2.116 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1134997948 ZSVBQQJYBCHTAM-KVSKMBFKSA-N 441.475 2.495 30 10 IEEE C#C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Br)cc1 1141461615 ZROILECXBFGZGK-HNNXBMFYSA-N 433.283 2.084 30 10 IEEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCCC1 1144682304 GQEVAHQCJVHBMC-UHFFFAOYSA-N 447.557 2.449 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)C2=O)cc1 1156977838 GKNKKQRRKYHSHH-WMZHIEFXSA-N 436.468 2.469 30 10 IEEE CN(CC(C)(C)C#N)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1159301176 MDPPHHTXPZTXDC-OAQYLSRUSA-N 425.526 2.342 30 10 IEEE COC(=O)Cc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1F 1162191218 MZSWAFAMEGISDK-GOSISDBHSA-N 438.415 2.257 30 10 IEEE COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c2)nn1 1205179242 AEIQTWIGJSOACC-UHFFFAOYSA-N 449.446 2.419 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1286393758 RWHKTANBGBHHPW-UXHICEINSA-N 430.574 2.115 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C(N)=O)CCOCC1 1286441294 UVPNOKXFPAXLDK-UHFFFAOYSA-N 431.924 2.349 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1286452704 SNGCAAHGEJTRTK-HNNXBMFYSA-N 425.468 2.228 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286490912 WTKKAAAUDYRFQR-QHCPKHFHSA-N 444.649 2.339 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC(C)C 1286516630 ICBUOBQADUOHMC-LJQANCHMSA-N 436.969 2.313 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1286564153 MFRLYDKELZNOJA-PXNSSMCTSA-N 430.578 2.284 30 10 IEEE C#CCN(C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1291928993 OTLAZHPTCBARNE-KRWDZBQOSA-N 448.541 2.079 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1298755313 CAAMMYDRJAEUSQ-GOSISDBHSA-N 432.524 2.423 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300705561 ABNZMDCJZYDKCG-NRFANRHFSA-N 433.478 2.436 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC(C)(C)c2cccc(C#N)c2)cc1 1300708387 KLQIAIRUDWNPDZ-UHFFFAOYSA-N 428.514 2.237 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](C)N(C)C)CC1 1300719931 WFCWVYGDCMTLES-SFHVURJKSA-N 447.587 2.353 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)OC)C1 1300750973 CXVCXZFDFZTGAE-MRXNPFEDSA-N 428.514 2.430 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1300762011 GDJDBNMKHJOXGL-NRFANRHFSA-N 436.585 2.342 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1300873371 FUKNMZHBEZIWLC-AZUAARDMSA-N 440.548 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300891601 ZTKFIAJGGWQAOD-LPHOPBHVSA-N 425.599 2.120 30 10 IEEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300970308 OOBRKQACGFGCBI-DENIHFKCSA-N 430.553 2.305 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)N(C)C)CC1 1301071216 ZRDVQUCFLAQSKC-UHFFFAOYSA-N 445.593 2.181 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1301514300 IWKSMTMXGDOTAL-HSZRJFAPSA-N 436.516 2.038 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3nsnc3c2)C1 1301536702 YXTUCJUTFBCHLA-OAHLLOKOSA-N 427.534 2.251 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCC1 1301589609 UOUYRMHLXSRQSR-UHFFFAOYSA-N 445.593 2.042 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1305412935 RIEVRAZLCNFPNS-FVJLSDCUSA-N 439.564 2.293 30 10 IEEE CCCN(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1306778621 VVUXVLZCSLKHRD-FMQUCBEESA-N 428.468 2.369 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2nncn2CC)CCOC1 1314079981 AVTXDVABBXMLAW-JOCHJYFZSA-N 436.520 2.098 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(C)CN(C)C1=O 1314214807 ANSABWTWVVLQST-KSFYIVLOSA-N 426.521 2.472 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1314504244 XVUTVMJRGKHBFN-REWPJTCUSA-N 441.532 2.254 30 10 IEEE COc1cccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CC#N)c1 1315541934 HOXBFZUYAGJILS-QGZVFWFLSA-N 433.516 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCN1C(=O)c2ccccc2C1=O 1355833404 SZPITRJEZDWBTQ-KRWDZBQOSA-N 428.489 2.376 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1358983519 LLLAHSUDOIIRGZ-RTWAWAEBSA-N 433.512 2.368 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1359010518 SCLFISPMZTWQEH-OAHLLOKOSA-N 433.603 2.218 30 10 IEEE C=C(C)COCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359136588 OWHZTEKCOPESAG-QFIPXVFZSA-N 435.569 2.016 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1359229761 UDRRKHSFAMFYFV-IRXDYDNUSA-N 448.568 2.254 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1359255973 PZLLIIYBHUYDMZ-OKXSDPAFSA-N 438.557 2.205 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)nc2)C1 1359320760 VFWKDBINPUVKJL-MOPGFXCFSA-N 439.564 2.300 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(C)C)C1 1359321428 GFAUHBORIHDYEX-IRXDYDNUSA-N 428.624 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(F)cc(F)cc2C1 1359332940 KOGXITWMEYDCNX-CQSZACIVSA-N 438.500 2.224 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1360770174 URWKZYZPKSAYDZ-SZFUDVHCSA-N 430.459 2.477 30 10 IEEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1452945772 DERQIUPEHKERPE-SFHVURJKSA-N 431.439 2.309 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1461785830 YTYHNOCKOVQWMO-UHFFFAOYSA-N 449.356 2.126 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2[N+](=O)[O-])C1 1462990714 SZDOCQBURLTSRO-WYSJICDVSA-N 446.529 2.087 30 10 IEEE COC(=O)c1cnc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2ccccc12 1463038993 VHSQOKAOQVLWOO-UHFFFAOYSA-N 438.465 2.466 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)cc1 1464475710 RODFFPDQXGLHRV-UHFFFAOYSA-N 432.502 2.416 30 10 IEEE C#CCN(C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1466847587 CBXWJHDNHLUBGR-IINYFYTJSA-N 437.371 2.169 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)nc(C)n2C(CO)CO 1468042751 ZCSBJXZKIQNINR-QGZVFWFLSA-N 430.505 2.116 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 1469533238 ASZHSVRBNVRBGG-MRXNPFEDSA-N 428.470 2.221 30 10 IEEE CNS(=O)(=O)c1ccc(N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)cc1 1472865505 MYMAHWAUJLFFHO-UHFFFAOYSA-N 425.436 2.207 30 10 IEEE N#CCc1ccnc(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1 1476946650 BJIYAYXDFMHRGT-ZBFHGGJFSA-N 425.411 2.228 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)c1 1492547675 GRGKNESWAWGRAI-SFHVURJKSA-N 442.520 2.419 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)SC)CCN2C1=O 1502213630 IEKJBUAYNHVOJH-RHSMWYFYSA-N 439.545 2.041 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1507577006 YIINSBAKQPNKJO-UYAOXDASSA-N 444.605 2.407 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1507647677 QGJJLVGNXMMCTI-UHFFFAOYSA-N 430.487 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCSCC(F)(F)F 1507653700 SDPGANZXBVDQNY-UHFFFAOYSA-N 425.436 2.374 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1CCN(CCN(C)C)CC1 1507667279 LMJFYXARZHVFMJ-UHFFFAOYSA-N 433.604 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@@H](C)c2ccccc2)CC1 1507723511 KZLOAOYRGVEEDS-FPOVZHCZSA-N 436.560 2.152 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507835860 OJFYYRGPHQEJPM-UHFFFAOYSA-N 436.557 2.066 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 1507954604 OKPMDIGPWPACPS-LJQANCHMSA-N 449.577 2.222 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1)C1CC1 1507992363 CIMHLUMOXKHCRD-IBGZPJMESA-N 449.552 2.262 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCN(C)C1 1507998847 GPVMAUUFPRZOHQ-XMMPIXPASA-N 429.528 2.471 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1508018571 GGTSVMZVJUWUFC-LJQANCHMSA-N 442.589 2.402 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1snnc1C 1508041929 WCQGYNQKKDOSDW-UHFFFAOYSA-N 438.517 2.441 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC2CCCCC2)CC1 1508083743 BUDIHUCCENSIFP-UHFFFAOYSA-N 437.592 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1508140719 PWXRYNOMSZLELS-SFHVURJKSA-N 429.590 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508140758 QNFNSMLQMJHMRB-INIZCTEOSA-N 439.582 2.202 30 10 IEEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1510049814 CLYAQJCQMFNSME-QZTJIDSGSA-N 441.555 2.460 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCN(C(C)C)CC2)cs1 1511528414 FOEUATKQQIQTNP-FQEVSTJZSA-N 447.584 2.311 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1517472967 FIFRWGPPGBDYTC-XMMPIXPASA-N 449.559 2.086 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CC1 1517552426 OZXCSTOVAILVIH-UHFFFAOYSA-N 449.515 2.352 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCO1 1519150090 CYYAGUHXXVLDJY-UXHICEINSA-N 438.532 2.323 30 10 IEEE COCCOc1ccccc1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1519350563 INXJMLHPOHGNED-KRWDZBQOSA-N 448.531 2.037 30 10 IEEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1535217610 GKPCPHRFYPCKPJ-KSSFIOAISA-N 433.892 2.134 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1nncn1C 1539617574 XILLCXMPGPWINP-RDGPPVDQSA-N 445.568 2.453 30 10 IEEE CC(C)(C)Cc1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541170460 STAVICYYSLNYIL-MODMUFLJSA-N 442.564 2.398 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NC(C)(C)C 1541470940 GSCRTPICTSZUDY-UHFFFAOYSA-N 438.580 2.375 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1541992027 SVUHGRCWAYKNRV-WIYYLYMNSA-N 444.561 2.150 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)c1 1544608871 XONWGHYOBXHBRI-HCVLRFJKSA-N 436.578 2.063 30 10 IEEE COCC1(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555304326 AWJMTQPNPGAKFF-HXUWFJFHSA-N 441.532 2.338 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)CC1 1560096566 ZXKOHCHTUSGFPB-JOCHJYFZSA-N 444.620 2.265 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC)c2ncc(C(=O)OC)s2)ccc1F 1586961756 HUQMUMLDTHSOGN-UHFFFAOYSA-N 427.479 2.200 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1587620741 JEMFYIFSYRBXBE-QGZVFWFLSA-N 444.543 2.499 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1587683270 GBBPZGMJMHNOLY-DBHNTLKXSA-N 433.553 2.312 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588040916 RWUUCRRELWOBGU-AZUAARDMSA-N 446.573 2.251 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588058929 FPCZCUSIAAUXEL-WOJBJXKFSA-N 435.638 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(C)COCCO2)CC1 1588779795 CYYAPXNNTQZTPD-QFIPXVFZSA-N 445.951 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](CCC)OC)CC1 1588805820 BWTAAFZINBNDDA-KRWDZBQOSA-N 435.532 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)c2c(C)noc2C)CC1 1588968940 SNEUYWPVVRJVHW-OAHLLOKOSA-N 428.537 2.189 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC)[C@H](C)C1 1589381558 FVJUIRKNCSFLDN-CYBMUJFWSA-N 437.342 2.445 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](Cc2ccccc2)OC)C1 1595715468 WYNOENHBSHBRJL-AQNXPRMDSA-N 425.533 2.268 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3nc(C(F)(F)F)cc3C2)s1 1602688144 TVWVLGGQEUNNCV-UHFFFAOYSA-N 434.465 2.013 30 10 IEEE Cc1c(C#N)c(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)nn1C 1611157586 ZWJUIEXNVFFVDH-JTQLQIEISA-N 425.308 2.411 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1611649172 YXYHNLOLRQAFPI-UHFFFAOYSA-N 436.873 2.261 30 10 IEEE COc1ccc(CCC(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1615327172 UDBUFOZBACJSDX-UHFFFAOYSA-N 445.519 2.072 30 10 IEEE C=C(CN(C)C)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1617880178 RRWWXOVJMVBDBI-KRWDZBQOSA-N 427.330 2.490 30 10 IEEE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1617940309 MREYSLWEDGSCEZ-HNNXBMFYSA-N 427.486 2.035 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CCO1 1619757649 UOCQRUJSWJJOHA-FQEVSTJZSA-N 439.472 2.230 30 10 IEEE COC(=O)[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1620616182 SOYKGHRHVQSKRL-KRWDZBQOSA-N 442.516 2.229 30 10 IEEE N#Cc1c[nH]c2cc(C(=O)NCc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)ccc12 1624842657 VVAWSVUQHRSZGL-GOSISDBHSA-N 438.509 2.427 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1 1626056493 DIWSHUYIBGFTIR-PMACEKPBSA-N 429.498 2.158 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OC 1628691683 FUWVMOZVGXPRTA-WBVHZDCISA-N 426.535 2.307 30 10 IEEE COc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1N1CCOC1=O 1628727209 NOCDBBIMVGPURY-UHFFFAOYSA-N 433.417 2.340 30 10 IEEE COc1cc(N)c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1S(C)(=O)=O 1629218267 LSOIGIRUDNNEOD-UHFFFAOYSA-N 426.416 2.481 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCCc4c3cnn4CCO)C2)C1 1632247551 XETZAVUHZFLHTI-FNKIUMDLSA-N 443.548 2.156 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1632944382 YMKVXZBLRSTDKG-JKSUJKDBSA-N 429.525 2.069 30 10 IEEE CS(=O)(=O)c1ccc(-c2csc(CC(=O)NCc3ccc(C(=O)NO)cc3)n2)cc1 1634104769 KYZUWDOIJVICAI-UHFFFAOYSA-N 445.522 2.192 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCCN(CCCO)C1 1640965898 ZQZUVSMSWGSRCK-PZJWPPBQSA-N 442.560 2.356 30 10 IEEE C=CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1641174248 QLFKJWYRJSKKFZ-IBGZPJMESA-N 433.574 2.033 30 10 IEEE Cc1ccccc1CN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1643849546 DPTKHIQSXMKKDQ-GOSISDBHSA-N 445.516 2.062 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1651802517 XJWIWFXJRRZZKG-KRWDZBQOSA-N 435.546 2.070 30 10 IEEE Cn1nc(I)cc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1652332232 ROMQYAAAIMGOIX-LBPRGKRZSA-N 436.257 2.008 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)NCc3ccc(C#N)s3)C2)C(=O)C1 1673781029 XGVMLMNXCZTFGF-OAHLLOKOSA-N 447.561 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC3(c4cccc(C#N)c4)CC3)CC2=O)C1 1676568126 CBDAVXBNXFIADZ-QGZVFWFLSA-N 439.516 2.067 30 10 IEEE C#CCN(C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1676685045 QEIUYOFMOCYNNZ-GDBMZVCRSA-N 426.922 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@@](C)=O)cc1 1689868331 CUCGGDBVWKKEFO-WPSAYFQWSA-N 430.574 2.387 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCC(=O)N(C)C)c1 1689870425 NNNUUXLCBFFEOD-UHFFFAOYSA-N 445.527 2.183 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1689893157 VQEPAUXJTDIBPV-SFTDATJTSA-N 442.585 2.432 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)on1 1690088304 HZLWVKYACNFWHC-HNNXBMFYSA-N 446.508 2.012 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)COCCO1 1690097884 RAYBCKMUDAWDAM-NRFANRHFSA-N 434.924 2.499 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C1CC1 1690108348 VKQYMTWZQSITIY-XAEMIUIASA-N 447.580 2.296 30 10 IEEE C=C(C)COCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1690320326 QKDUTGCRJHCKHI-IBGZPJMESA-N 447.502 2.207 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2F)CC1 1690375155 BKNJNMRZDFAIKS-IBGZPJMESA-N 449.552 2.149 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1)C1CC1 1690550233 SCMGQZLALHZPNB-UHFFFAOYSA-N 443.573 2.202 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(=O)NC 1690615898 WCJRZVVIKUBZID-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(C)cs1 1690714712 SBMUNBHGVJPSSO-UHFFFAOYSA-N 425.580 2.023 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)CCCS1 1692523849 RTBKJQTXZLTDMA-OAQYLSRUSA-N 441.561 2.237 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)CCn3cccn3)n2Cc2ccc(C#N)o2)CCOC1 1692576684 CTIXFUTZGKCXJC-NRFANRHFSA-N 425.493 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)O)CC1 1705648081 RENCJPUUHCGKIX-UHFFFAOYSA-N 448.527 2.337 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)COC)CC1 1705650209 NAMFIVTZOYFDBQ-UHFFFAOYSA-N 444.605 2.272 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705831366 ORLAAUAFDWOXFU-MSOLQXFVSA-N 430.578 2.474 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705872380 VKJVAQYOISQGJZ-GOSISDBHSA-N 434.552 2.358 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705899252 MIAKVUPUILJWSG-LJQANCHMSA-N 435.532 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCc2oncc2C1 1705935233 KVJWHZKQJRQDJX-UHFFFAOYSA-N 449.483 2.299 30 10 IEEE CC(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1706482598 VQWQIUGVKPJVOX-INIZCTEOSA-N 432.550 2.061 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@@]2(CCOC2)O1 1708177141 LVTRFUKAZVLOLX-QVKFZJNVSA-N 433.459 2.483 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1709138879 VXPLMYUNAWUWKP-MRXNPFEDSA-N 440.552 2.347 30 10 IEEE CO[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)C(C)C 1711546465 MYGPBMUSRZDUCT-ZBFHGGJFSA-N 437.342 2.446 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722311813 KRIVFOKHPDEJBT-INIZCTEOSA-N 441.923 2.270 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1722359719 PRWFVBCUDMJEBD-SFHVURJKSA-N 429.502 2.280 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc([C@@H](C)O)cc1 1722419315 XGRBETZQHIQZQY-QGZVFWFLSA-N 434.500 2.113 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)(C)C)n2)CC1 1722429398 LPJSGWRYXDCCMJ-UHFFFAOYSA-N 443.621 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722434845 XMZDBDTVLKFSGI-OAQYLSRUSA-N 441.601 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2=CCCCC2)CC1 1722449453 JNEXZBUITVUOOD-UHFFFAOYSA-N 438.576 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1722492445 SMBNBXBTSIELKA-HBFSDRIKSA-N 447.580 2.090 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1722502446 UWNOOJQWCCIJGV-DLBZAZTESA-N 426.631 2.411 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1722524988 CNBMAPKELNPUOV-UHFFFAOYSA-N 428.512 2.451 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)cc2)CC1 1722565894 FEUOYJFIEGUKMN-LJQANCHMSA-N 443.573 2.075 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1722718257 HUMBFVDKLYGBJA-PMACEKPBSA-N 446.573 2.178 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1722720184 HRSQEXREMAKJTP-SJORKVTESA-N 448.568 2.095 30 10 IEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1723723674 CUQPVDBIPZCQPY-UHFFFAOYSA-N 436.495 2.497 30 10 IEEE Cc1ccc(C(=O)NCCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)cc1 1724248012 HBGIRFBVWLOMAK-INIZCTEOSA-N 449.515 2.340 30 10 IEEE CCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1729163072 RQAOSEKXPYTITI-MRXNPFEDSA-N 436.310 2.385 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1730839949 IHPNBBKJKHMCTL-STXHMFSFSA-N 440.520 2.357 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C1CCCCC1)N(C)C 1730955898 NSGUXALBRUSPBG-BQJUDKOJSA-N 446.596 2.241 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740746764 PRKOHVNJDGPNQB-NSHDSACASA-N 448.412 2.412 30 10 IEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740886792 SDLJQCFGAUVOEL-IBGZPJMESA-N 428.512 2.157 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740889726 JQGUOMIVZMPMPL-VAMGGRTRSA-N 449.596 2.131 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740986233 UBVYLEJFHCKNIB-HNNXBMFYSA-N 425.580 2.345 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCOC1 1741674113 FUJBKDRCMLWNKE-SFHVURJKSA-N 437.548 2.041 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(F)CCC1 1741675881 PPLMDDWJBFBNPI-UHFFFAOYSA-N 440.527 2.292 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1748291769 AHXDIUHWGQSNEC-AWEZNQCLSA-N 448.618 2.421 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC(=O)N1 1748655860 HJZGEBYHOLIVDW-GXTWGEPZSA-N 432.322 2.453 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1748665433 QREIOJKMFZUHLU-MRXNPFEDSA-N 430.516 2.398 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CC)N1CCCC1 1748776279 CXOFEXHGIZBMOZ-LJQANCHMSA-N 444.605 2.139 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749037811 GLVZWAOUBCVDDY-SVFBPWRDSA-N 447.649 2.474 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1749225296 DDFVSFMVGIVGDL-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749460038 ZTJNEYDXQTVDBB-UHFFFAOYSA-N 441.580 2.487 30 10 IEEE C=CCCOCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1749461355 PPUKTRBTBXLFCP-QHCPKHFHSA-N 449.596 2.218 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749565207 IRDCIHAECAOKAX-QFIPXVFZSA-N 439.541 2.221 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)(C)C 1749658964 ZWMXNNCYBOOAIS-UHFFFAOYSA-N 436.919 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1749735473 URTNMVGLBSPJLV-UHFFFAOYSA-N 432.546 2.246 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn2ccc(C)cc2n1 1760207246 BXRURRALCPPSLZ-UHFFFAOYSA-N 443.536 2.347 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCOC 1760217835 NZQSMZCDAUFVHX-FQEVSTJZSA-N 435.528 2.074 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1760224876 BNMQMVVZGZPYKY-PGRDOPGGSA-N 446.573 2.044 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCOC1 1760230148 SQXVVMBUKMGESY-LJQANCHMSA-N 435.322 2.327 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCc1ccco1 1760246684 YSRQLTHDOWMRKB-UHFFFAOYSA-N 446.511 2.432 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)CC1 1760260607 ZBRJPWIFTRWTSM-OAHLLOKOSA-N 438.479 2.113 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760372270 CXBOTDLLXUVPRJ-HDICACEKSA-N 430.988 2.482 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@H]1CCCN1S(C)(=O)=O 1760480050 JHSRSILJIZLJCG-LJQANCHMSA-N 428.562 2.329 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccccc2F)C1 1760525559 JVBZUJPOLBFBST-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCc2c(ccnc2O)C1 1760526558 BWOSDHHNCCPOPH-UHFFFAOYSA-N 448.527 2.037 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1760545609 XOZUNBGMLOYXOS-KRWDZBQOSA-N 441.536 2.383 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)C1 1760595510 MDNGMLTYHVCGLS-JXFKEZNVSA-N 431.541 2.334 30 10 IEEE CC[C@H](C)c1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761843306 MWHHJWAZTWHVJU-JLUOLNIDSA-N 429.569 2.239 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccc(C)cc1 1763018810 QKEZEVYKECXJPB-UHFFFAOYSA-N 431.500 2.114 30 10 IEEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCCOC(F)F)CC2 1767528843 HFGLLRABIYJQKZ-UHFFFAOYSA-N 441.442 2.102 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1767711885 XRRKZQSAHNGGFL-BKBKCADHSA-N 436.516 2.477 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2C)CCO1 1767725966 ASRYZTLELUWJHI-POAQFYNOSA-N 438.532 2.116 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1769843614 QAXFADQWVDULJE-CRAIPNDOSA-N 437.504 2.385 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)CCO1 1770746615 IDSBNXVNHBNZBO-KRWDZBQOSA-N 435.937 2.152 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2ccccn2)C1 1771527694 CIIIITHXHNEISI-OAQYLSRUSA-N 435.467 2.265 30 10 IEEE CCOc1ccccc1-n1nnc(C(=O)N2CCN(CCC#N)CC2)c1-c1ccccn1 1848529570 YOCOWINBEYHOAN-UHFFFAOYSA-N 431.500 2.399 30 10 IEEE Cc1ccc(F)c(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1 1851330823 PEFXAEOMPYYJQD-AWEZNQCLSA-N 443.504 2.315 30 10 IEEE CS(=O)(=O)N1C[C@@H](C(=O)N(CCC#N)Cc2cccnc2)Oc2ccc(Cl)cc21 1851557792 WMFOOLXMLRPZFK-SFHVURJKSA-N 434.905 2.204 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cccc3ncccc23)C(=O)C12CCCCC2 1854400947 GGGGCXLJPQJWOH-UHFFFAOYSA-N 426.498 2.075 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862695643 HHOGLUWLJLJXNA-ZUOKHONESA-N 425.437 2.426 30 10 IEEE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C)[nH]n2)C(=O)Nc2cccc(C#N)c2)cc1 1866831746 UKAJHUAFLRXVJZ-FQEVSTJZSA-N 431.452 2.495 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870531828 NNOXAMUTBGMILU-UHFFFAOYSA-N 448.608 2.421 30 10 IEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN(CC)CCc1ccncc1 1870670794 IDFSWDVLLOWVQK-UHFFFAOYSA-N 443.544 2.452 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)nc(Nc2ccc(F)cc2)[nH]1 1871516819 JWPKZCXYDKONDQ-UHFFFAOYSA-N 443.508 2.462 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1984848956 HXQCBWPBIIKCEP-KGLIPLIRSA-N 429.514 2.330 30 10 IEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 2060815956 WUSDEGPLGFYGKZ-LJQANCHMSA-N 438.532 2.258 30 10 IEEE C#CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(Br)c1=O 2162337797 LSXRVAMOKSLKMW-JSGCOSHPSA-N 441.326 2.075 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390182 QAAHLIRVGJQGQZ-LBPRGKRZSA-N 425.360 2.333 30 10 IEEE C#CC1CC(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)(C(=O)O)C1 2247557861 KHQLIIXBUGTWPI-HRZDDSQGSA-N 430.501 2.469 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247862655 FEZFOAKYYQYXSN-ZIAGYGMSSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248403296 FRHDKSMWFDPBRR-GXTWGEPZSA-N 437.371 2.219 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618799 JYLFDFZMWUGYIY-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2255855650 RBUKQFCXQHBLMK-CWRNSKLLSA-N 431.342 2.299 30 10 IEEE C[C@H](C#N)N1CCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2256777042 ZYHZPHZONCAIEN-LJQANCHMSA-N 442.560 2.497 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267012740 ZISILZPRMBJGRO-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2267189011 UNUSSCNIUYFPTE-CABCVRRESA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267267640 YQXQXMOUFHBPQX-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)n1 2267493849 AHCYSVJPLBATMK-QUCCMNQESA-N 436.365 2.066 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267521388 RLNIHSMAUHTFGC-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCCC34OCCO4)c2)OC1(C)C 2267718405 SUUGILHMFSJGBO-CQSZACIVSA-N 429.369 2.011 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](COc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267823798 ZIRPAQVHWBFPTC-MRXNPFEDSA-N 447.385 2.498 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2268655844 QHOPJHTWLNUJKN-GDBMZVCRSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268717204 JJXWGAJLMMLDAG-LSDHHAIUSA-N 447.341 2.249 30 10 IEEE C#Cc1cccc(N(CC)S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286030135 WXQURHKRNXKBFA-IBGZPJMESA-N 430.482 2.204 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300342771 YQXUFKZVGFLEBB-KWCYVHTRSA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2312862401 DKQGSJCPGWEPIU-BHYGNILZSA-N 429.326 2.118 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cc(C)ccc2O)o1 2330752538 MLRRSDJNMSAAPN-UHFFFAOYSA-N 443.485 2.482 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2334264687 FRALMRCMMIEVQZ-ZVZYQTTQSA-N 445.369 2.452 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343644821 HCCWAAYOWZDNON-SFHVURJKSA-N 448.369 2.450 30 10 IEEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 109880668 OUNRKDTZVNGNEK-QGZVFWFLSA-N 428.510 2.311 30 10 IEEE C[C@@H](/C(N)=N/O)N1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 128576145 GAYJASILZDYKRC-ZETCQYMHSA-N 440.161 2.166 30 10 IEEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CN2CCN(c3ccc(F)cc3)C2=O)CC1 238887719 QGUOWEVPUAULJY-SAABIXHNSA-N 438.463 2.236 30 10 IEEE COc1ccc(NC(=O)COC(=O)CON=C(C)c2ccc3c(c2)OCO3)cc1OC 254607191 QTYCGNBYKJQLHW-UHFFFAOYSA-N 430.413 2.355 30 10 IEEE COc1ccc(-c2nc3c(s2)[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)CCC3)cc1 410125793 PSFBPEXMSJMAKX-WBVHZDCISA-N 434.543 2.255 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(CN3CCOCC3)CC2)CC1 446636083 DYKKXJVLOAFMTK-UHFFFAOYSA-N 427.549 2.397 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cn2)C[C@@H](C)O1 462088741 FXJFDLLKRAZTPH-IYBDPMFKSA-N 432.488 2.469 30 10 IEEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 473295998 MMRCGDUWYXLSRZ-INIZCTEOSA-N 439.447 2.348 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)s1 479237131 CRAUIPCPPKQDBO-UHFFFAOYSA-N 446.598 2.128 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 489208331 SUJOQVQBDLXMDA-QZNHQXDQSA-N 446.507 2.004 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 508848292 YDPFKUGDNVRQPX-CTNGQTDRSA-N 438.576 2.283 30 10 IEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2CCOC[C@@H]2C1 508903101 NLJCUYUFQYXMLE-AWEZNQCLSA-N 434.338 2.423 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@H](Cc2cccc(Br)c2)C(=O)O)c(F)c1 525831441 ZSSNCLWYCGACPG-CQSZACIVSA-N 427.251 2.434 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N3CCC(C)CC3)cc21 526842619 UIVSHPWKQAZOQH-DFYVNMARSA-N 432.542 2.176 30 10 IEEE COc1ccc([C@H]2CCCN2C(=O)CN2CCN(c3ncccc3C#N)CC2)cc1OC 532902242 XVUZBNFPGUQREX-HXUWFJFHSA-N 435.528 2.456 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1-c1ccccc1C 535138649 RJVFZNZGDHUDGA-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE CCNS(=O)(=O)c1ccc(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 544783180 RVMIRLSHYZFODD-UHFFFAOYSA-N 440.569 2.202 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(F)c(F)c2)CC1 565390702 OLFBPHNVJGTKRJ-AWEZNQCLSA-N 440.520 2.069 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)CC1 607057041 BKFZWOITRZYLSV-UHFFFAOYSA-N 429.565 2.401 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c(Cl)c1 614904543 RTXZJHWTSFQSEY-MRXNPFEDSA-N 446.956 2.479 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725786924 PGSOULPMRUABLF-HJPURHCSSA-N 425.533 2.155 30 10 IEEE C=CCn1c(COc2ccccc2)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 765057166 PTCOKPUMTWJVBA-UHFFFAOYSA-N 437.591 2.104 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl)[C@H]1CCS(=O)(=O)C1 774036866 OSCCYSGVLLFGQJ-HNNXBMFYSA-N 425.938 2.475 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 788323525 NKHWEPVVRAHQTC-QGZVFWFLSA-N 445.568 2.221 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 788810922 KOVQGYJBLAEGPH-UHFFFAOYSA-N 426.561 2.214 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCCn2ccnn2)C1=O)Nc1cnccn1 790721987 UYCCHMQZGJNMNW-AWEZNQCLSA-N 442.530 2.180 30 10 IEEE C=CC[C@]1(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 790760563 NRTFZOGZDVUHQF-OAQYLSRUSA-N 441.594 2.405 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN2c2nccs2)cc1Br 790837246 YLMUIDNQNIDVEM-CYBMUJFWSA-N 441.332 2.251 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1C#N 793431729 OJCJBIIGLZXKFU-HXUWFJFHSA-N 425.470 2.287 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 800668596 VNUHALOIFDMNJA-GQIGUUNPSA-N 429.583 2.166 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(CC(=O)N2CCCC2)no1 809462478 XFVMCFSTLWTSEX-OAHLLOKOSA-N 431.518 2.205 30 10 IEEE C#CCN(C)c1cnc(-c2noc(-c3cc4c(cc3Br)NC(=O)CO4)n2)cn1 813341289 UWJRCCOPXHDHMD-UHFFFAOYSA-N 441.245 2.356 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnc2c(Br)cccn12 816625244 XXIYMEAKQHWHLM-UHFFFAOYSA-N 448.302 2.164 30 10 IEEE Cc1cccc(S(=O)(=O)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 916179607 GAVSZIWCSRLVDF-UHFFFAOYSA-N 449.554 2.099 30 10 IEEE N#Cc1cccnc1NCCNC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 916641563 SBBADVZHWINOSS-UHFFFAOYSA-N 428.924 2.425 30 10 IEEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)cc1 1129225171 PEILVINUAJZDLA-UHFFFAOYSA-N 444.509 2.155 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc[nH]n1 1136058200 IEZYTUILBUZPAS-GOSISDBHSA-N 447.923 2.300 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)s1 1136211589 ZVVOMBQCBXWZMS-UHFFFAOYSA-N 448.614 2.141 30 10 IEEE C=CC1(CC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1136695314 UHELSHHPHWZPID-UHFFFAOYSA-N 448.608 2.202 30 10 IEEE CN(C)C(=O)Cn1cc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)nn1 1176640391 HSFWSVUKXFVXBF-UHFFFAOYSA-N 449.320 2.071 30 10 IEEE CC[C@H](C)c1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1 1189868898 IBDDOVLQNFTNIO-HNNXBMFYSA-N 440.500 2.376 30 10 IEEE C[C@@]12CN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C[C@]1(C)CS(=O)(=O)C2 1226703275 NVFJRASEJCPPLP-BOPNQXPFSA-N 432.546 2.109 30 10 IEEE C[C@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1265982504 PFPZTCZXSNEJGN-HXOBKFHXSA-N 428.533 2.485 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1276283136 DHMNUYYAWLSXHT-IBGZPJMESA-N 445.566 2.377 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286775014 VBABABRPBBWLLL-LJQANCHMSA-N 431.562 2.010 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286785559 OICFWHGDGUIBRE-KRWDZBQOSA-N 439.564 2.021 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1ccc(C#N)o1 1288825898 NMOMYBZZDACYGN-JTQLQIEISA-N 445.332 2.301 30 10 IEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1291012957 HBQGULWYYUTEQO-RTBURBONSA-N 435.576 2.463 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1300401276 QYKJAKDKNQIFSR-UHFFFAOYSA-N 431.544 2.458 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1300495121 DAFBVXNRIAVOMF-NLWGTHIKSA-N 434.606 2.475 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1300496052 NIBGKQKWGZHBQB-UXHICEINSA-N 433.622 2.120 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1c(O)nc2ccccc21 1300512987 PFVCEPSHXSNTLD-XMMPIXPASA-N 448.527 2.147 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C(C)C)CC1 1300719202 RKEPBVCSPYEYRB-XMMPIXPASA-N 434.544 2.190 30 10 IEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301185994 PNYKKWRLHNQKDE-OAHLLOKOSA-N 435.550 2.376 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1301258411 RRCGBRUZTFBQFE-LJQANCHMSA-N 445.589 2.100 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H](C)C1 1301969230 VVORJNLGZIMKJV-IPMKNSEASA-N 436.626 2.288 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CCn2cncn2)C1 1302978288 AZILXSNQTVOGPY-QGZVFWFLSA-N 431.273 2.441 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1302993849 GUELBXMKQGOILE-QURGRASLSA-N 445.483 2.021 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1303633014 AZLPQPWELMSPNL-LJQANCHMSA-N 446.559 2.371 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(=O)N(C)C 1305987671 HCYZCKMTWMLJBT-SFHVURJKSA-N 426.521 2.017 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1316475090 OKCXZDYRDKUAEU-QGZVFWFLSA-N 448.618 2.335 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCNC(=O)c2cc[nH]n2)c1 1316529001 LATFYAPQAQNHGU-MRXNPFEDSA-N 440.458 2.451 30 10 IEEE N#Cc1ccc(OS(=O)(=O)c2cccc(C(N)=O)c2)c(I)c1 1322570398 JLWYTNVBJNWBTB-UHFFFAOYSA-N 428.207 2.029 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)NC(=O)NC1=O 1339041941 YNYADPBBQFWQJM-DEOSSOPVSA-N 442.479 2.448 30 10 IEEE CN(C)C(=O)C1CCC(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 1354741288 PVEIDAPXGXDWOO-NMWGTECJSA-N 434.562 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1358896436 DAXLUQAKDUBCDG-PMACEKPBSA-N 439.560 2.427 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1358929601 DOLXXBHJTUTKJR-HSZRJFAPSA-N 436.604 2.449 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1358962602 SZGIJKZFEAFFDG-KRWDZBQOSA-N 433.603 2.488 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1358980968 QTGKPYNJMYPFKJ-NRFANRHFSA-N 443.599 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCOc3ccccc32)CC1 1359047926 YVJPXBLFUJOLJH-IBGZPJMESA-N 437.544 2.347 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359059185 DFNFMHZNCDYZHO-KBPBESRZSA-N 441.648 2.258 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359059490 OSORKYPZEWOYRM-QFBILLFUSA-N 446.646 2.157 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1ccnc1C 1359232834 GUAFIVUFNRLPQP-UHFFFAOYSA-N 428.566 2.374 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCCC2)C1 1359325071 XKEKYXZVAFWEKZ-UXHICEINSA-N 430.597 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C1CC1 1359332016 MQLMUJQQSFMXQW-SFHVURJKSA-N 447.536 2.138 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1359472335 KBUPEZWPLQJXFY-MRXNPFEDSA-N 441.536 2.394 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1nc2ccccc2[nH]1)[C@@H](C)CC)c1cc[nH]n1 1441696665 SFULLOUEWWGIEW-UGSOOPFHSA-N 426.477 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)c2ccccn2)CC1 1442349116 YDODBEVLVMRAMG-GOSISDBHSA-N 429.521 2.343 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)CC#N)CC3)C2)c2ccccc12 1445692510 RTFPZRRPSVLANW-SFHVURJKSA-N 448.523 2.285 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N(CCO)CCOCC(F)(F)F 1466188664 CITVMRRFEYKKSK-UHFFFAOYSA-N 425.201 2.099 30 10 IEEE C=CC[C@]1(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CCCN1C(=O)OC(C)(C)C 1470224878 FFUYOZIVTRUASC-XZOQPEGZSA-N 437.581 2.064 30 10 IEEE C#CCN(C(=O)c1cc(S(N)(=O)=O)cc(C)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1471882575 QBEMECWWKUNQAR-UHFFFAOYSA-N 449.573 2.426 30 10 IEEE CC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1472192341 YVNSQUOJABLTRX-HRAATJIYSA-N 446.960 2.215 30 10 IEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1502924475 GOMBHJKBTPFEFQ-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOC1=O 1504109334 IBCNCENZOUDMDP-HNNXBMFYSA-N 446.895 2.178 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1507535143 UJZSJKRQHAMMSK-KRWDZBQOSA-N 448.575 2.078 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1507605919 YRBZTIKIHJSWQY-QGZVFWFLSA-N 438.557 2.295 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCc2ccccc21 1507641400 DQHVVFUKZJCWNH-JWQCQUIFSA-N 434.540 2.226 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](COC)OC)CC1 1507720261 CGUACTFGUFQQQJ-FXAWDEMLSA-N 447.967 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1507795167 CZONBQAXVKLETO-SQNIBIBYSA-N 433.578 2.291 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507905273 VXFIFDZBRYRSIM-GRNWLOBZSA-N 426.521 2.449 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1507985592 JNUDWXXQOPLNTP-UHFFFAOYSA-N 434.562 2.036 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508075060 VNBVXHSABXHZMY-WBVHZDCISA-N 425.489 2.234 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1508078404 AGJMHVNOIZMWCR-DLBZAZTESA-N 442.564 2.183 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1508084165 JHILYOKBMYRKSS-JOCHJYFZSA-N 446.555 2.404 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c(-c3cccn3C)nnc2N(C)C[C@H](C)C#N)ncn1 1517612711 CDVCSASBRQSFQE-SJORKVTESA-N 434.552 2.380 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1519369522 LWKQAAIKVOPICD-HXUWFJFHSA-N 435.532 2.457 30 10 IEEE C=C[C@H](COC)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1529849658 KARWBDDEURQFOT-OIISXLGYSA-N 430.364 2.360 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12)C(=O)OC 1531945529 LYOUVNQTPYVUQP-SFHVURJKSA-N 449.529 2.209 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CCCCC 1535552348 CNAJSMWJHPYLAB-QGZVFWFLSA-N 443.548 2.082 30 10 IEEE C#CCN(C(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 1537469532 WUZUYVXLGGMLST-CYBMUJFWSA-N 435.908 2.416 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccsc1 1538992788 YJZLNAAHOHVRSI-VFNWGFHPSA-N 434.529 2.348 30 10 IEEE C#CCCCn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539139092 AWUNQAWNAYHSRD-YESZJQIVSA-N 432.569 2.281 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1539203924 WATPOKMRVKXIIR-OALUTQOASA-N 435.638 2.467 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](OC)c1ccccc1 1539409044 MJLFHPRXPIVVKA-HXUWFJFHSA-N 437.500 2.480 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1540890511 GCGSDBJXQYWIIR-UXHICEINSA-N 446.573 2.156 30 10 IEEE O=C1C[C@H](C(F)(F)F)[C@H](C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CN1 1543773081 XJMHWQCHJXRAHY-MNOVXSKESA-N 429.292 2.257 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](OCCOC)C2)c1=O 1547625561 ZTXRMUOLIQFMPP-OAQYLSRUSA-N 448.527 2.288 30 10 IEEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1555225408 HQYVPUVKWAXHIL-SFHVURJKSA-N 439.564 2.287 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(C)CCN3Cc3ccccc3)cc2C1=O 1557682675 HHDUAOSFHMSXDH-HXUWFJFHSA-N 432.524 2.015 30 10 IEEE N#Cc1csc(CNC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)n1 1558599697 WEZIPGKEVKTWOA-UHFFFAOYSA-N 435.712 2.008 30 10 IEEE C#CCC1(NC(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)CCOCC1 1563912094 GSQJXFUEZNRKBX-UHFFFAOYSA-N 448.608 2.135 30 10 IEEE CN1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)C1 1565741955 TZSSGPSIPOMOIL-NCMKUFGYSA-N 445.608 2.012 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)CNC(=O)c1ccccc1I 1570500768 OHILZOGXUNNBFZ-UHFFFAOYSA-N 431.233 2.482 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)c1cc[nH]n1 1584763661 KTZXFAOPIFWCQC-IBGZPJMESA-N 427.505 2.037 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1587812926 FBOKBCDKGMBPIB-KRWDZBQOSA-N 434.610 2.419 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)(F)F 1588258883 LBPBBSKBCSCIJU-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC)CC1 1588898839 DZXCFGYLYHIRNB-UHFFFAOYSA-N 441.532 2.347 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595148937 CRGWTKYRKOTWDQ-FQEVSTJZSA-N 445.570 2.144 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1595506658 IKMNUUIYHBEVRX-FQEVSTJZSA-N 435.887 2.036 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H]2CCOC2)cc1 1595640067 SDRNBTTUMXYLTH-LJQANCHMSA-N 425.533 2.486 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCCCC2)C1 1595745956 ZGZQFJOOVVTDGA-HXUWFJFHSA-N 441.580 2.324 30 10 IEEE C[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)COCCO1 1611806870 LZHYXQASEHJLSG-OAQYLSRUSA-N 444.561 2.205 30 10 IEEE COc1ccnc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 1616580948 YSODGHLQFWSSGT-UHFFFAOYSA-N 428.533 2.389 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1619613125 MOYCOGKBSPBSQR-UZLBHIALSA-N 435.525 2.463 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C[C@@H](C)O1 1619736567 DXTSJQXCZRQPQA-YLJYHZDGSA-N 440.548 2.219 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1619985015 JGCNLALISRHJET-HZPDHXFCSA-N 425.493 2.242 30 10 IEEE CN1CCC[C@@H]1c1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n[nH]1 1624379941 HOORJCTVDJVNSR-HXUWFJFHSA-N 436.495 2.318 30 10 IEEE Cn1nc(C2CCOCC2)cc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1625337096 VQZPMHVMMKGTBZ-UHFFFAOYSA-N 433.516 2.316 30 10 IEEE N#C[C@]1(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCc2ccccc2C1 1625437038 WNMRBQJIUDDHQW-IBGZPJMESA-N 448.342 2.295 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C)cc(C(N)=O)c1 1628028266 GKGSBEIROGAION-KRWDZBQOSA-N 428.514 2.330 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 1628964771 UNNAMRPYCQKIQS-OAHLLOKOSA-N 425.917 2.166 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1629733572 SNQLYSHDISSOPT-QYZOEREBSA-N 447.557 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1631995511 XMUTTZQCHFVYNT-CQSZACIVSA-N 439.509 2.500 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2cnc(I)c(O)c2)c1OC 1632986146 WKBTXRQJOXIXPD-NSHDSACASA-N 439.209 2.404 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1633006128 SWWRUCYFLNTQQS-QGZVFWFLSA-N 442.516 2.101 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1639638037 MJDBVCITCPTZSX-JOCHJYFZSA-N 435.480 2.246 30 10 IEEE CC[C@](O)(CCC(F)(F)F)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1639659829 RJXIRIGZIQIGLO-KRWDZBQOSA-N 435.468 2.105 30 10 IEEE C=C[C@](C)(O)CC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1642061682 YQSCSOONPOXNHN-HXOBKFHXSA-N 447.580 2.500 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)cc1S(=O)(=O)NCC#N 1645202309 RDRACNQVJFLESP-GOSISDBHSA-N 435.509 2.370 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1cc(F)cc(F)c1 1646513247 MYDNYTZBUKYTIG-KRWDZBQOSA-N 449.479 2.417 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2sccc2Br)cc1 1651020950 DVXDHGJFNODHBX-UHFFFAOYSA-N 427.345 2.395 30 10 IEEE COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(C(=O)CC#N)CC2)cc1 1654491135 KBLMJBUVFMMXFU-KRWDZBQOSA-N 449.511 2.332 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(CO)(C(F)(F)F)CC2)CC1 1654978968 WLFWJHOQUIGKJY-SFHVURJKSA-N 442.457 2.171 30 10 IEEE C=CC[C@@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 1684648309 HJWAHNURIIJNBA-MRXNPFEDSA-N 433.490 2.227 30 10 IEEE C#CCN(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 1686899783 QIORGQONUHODIL-VVLHAWIVSA-N 426.579 2.211 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O)c1ccc(Br)cc1 1686919677 KCFCGKYUDYTWMZ-ZRGWGRIASA-N 433.306 2.286 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCS1(=O)=O 1689973837 RWXRYXYLVOAMJL-UHFFFAOYSA-N 445.589 2.260 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689982245 JYZKKWXLEFYONU-QAPCUYQASA-N 435.981 2.175 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689993471 FEFNLKPHFRRWRR-QFBILLFUSA-N 446.548 2.464 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(=O)NC)CC1 1690132508 RVSUFRUJWVZEIB-UHFFFAOYSA-N 438.576 2.001 30 10 IEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1690306158 PEEKRRFGYOMMHA-UHFFFAOYSA-N 427.530 2.321 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)CC1 1690397062 UPHPECWXXUUYPR-CYBMUJFWSA-N 447.590 2.344 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690497439 QGTFVTLNUZAXAZ-QGZVFWFLSA-N 429.525 2.182 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690500136 MLRMVCYHCZGFQW-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690662649 CAUTXIPLNAGBQQ-MRXNPFEDSA-N 447.605 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690721099 XLQOZKOQARVEDW-SFHVURJKSA-N 447.561 2.261 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1696819994 ZGVMQTZITCULRY-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1697776551 SMEVFXZDEAQCED-PMACEKPBSA-N 439.495 2.212 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1705494827 GNHVUHNBXYXHPE-JQHSSLGASA-N 433.553 2.469 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705536537 RDEUARBOYUFFMP-IAGOWNOFSA-N 428.562 2.188 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCN2CCOCC2)CC1 1705635458 ZETYHKSQLLMFTO-HSZRJFAPSA-N 436.604 2.298 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CC2)CC1 1705646035 OVJUTJWDVLRPFR-UHFFFAOYSA-N 443.935 2.098 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(OC)CCCC2)CC1 1705650637 WKFPJYKPXFFJCY-UHFFFAOYSA-N 436.560 2.189 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOCc1ccccc1 1705668732 SEMKOFZOEFNBGA-LAUBAEHRSA-N 431.562 2.097 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCNC(=O)C1CCC1 1705744691 LRETUMGOSFRXNL-UHFFFAOYSA-N 431.928 2.421 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1705843321 BYWVOJRGWLCTSG-LJQANCHMSA-N 445.589 2.273 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705905269 PKWTYZMRBUQWSN-UHFFFAOYSA-N 440.939 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1705931157 HQXWQKXERLNXRQ-OAHLLOKOSA-N 449.533 2.458 30 10 IEEE CC(C)(C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706104027 OCZYRDNJRVSXSS-NXDJFEHLSA-N 442.564 2.233 30 10 IEEE CC(C)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706294420 UFSDMTAEMCFRKA-LDSGZGKSSA-N 428.537 2.323 30 10 IEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)n[nH]1 1707770763 FXLDZRKZHDWLMV-UHFFFAOYSA-N 435.517 2.491 30 10 IEEE Cc1nnc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1707846888 DKEFWBXZPSPOBK-FQEVSTJZSA-N 437.533 2.458 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccccc3Br)nnc2N2CCNC(=O)C2)o1 1712880945 JZEUDTHETQOHJT-UHFFFAOYSA-N 427.262 2.157 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1722294641 QESKVWSJMCQXDT-QQMNAOGKSA-N 444.580 2.329 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1722359549 ONZFXNOXKZWDAT-MRXNPFEDSA-N 435.893 2.233 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CCCO1 1722394123 NWFYOVQBZGOINI-JOCHJYFZSA-N 440.573 2.270 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC(=O)N1 1722407594 OJHMXEAVKVORKW-CQSZACIVSA-N 432.322 2.454 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@](C)(O)C2CC2)CC1 1722430871 JUNKQJREOWDTJL-HXOBKFHXSA-N 427.524 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC(N)=O 1722695581 IOGRRBFZGCUKLO-NSHDSACASA-N 425.320 2.254 30 10 IEEE CC1(C)CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1724027231 CLSXPIYKZLIZLA-RJCBAWPRSA-N 428.537 2.325 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H]1C 1728544415 LNKCKTZPTSEHCU-HZPDHXFCSA-N 434.504 2.357 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1730581005 GFBRAIPLSPVXCE-UHFFFAOYSA-N 426.521 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1740655218 BUAYXTZKTXXKBX-UHFFFAOYSA-N 431.587 2.357 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1740694075 XPVPFTZUYNUCMI-LJQANCHMSA-N 439.564 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740701986 GRYDLXKTZHAPRO-FPOVZHCZSA-N 444.624 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(C)CCCO2)CC1 1740706855 FZNXVWLTFGSLSE-QFIPXVFZSA-N 442.589 2.169 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1740761344 NASIKJPLPIEWMK-SCTDSRPQSA-N 438.594 2.167 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740847681 QOVIFEMBBWMKAI-MRXNPFEDSA-N 428.516 2.087 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1740887565 AQEDLZNIVINTRZ-HSZRJFAPSA-N 439.516 2.317 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1740935868 ZEBKUFFGTAWUFK-CTNGQTDRSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1740958559 QMRGVUPYGSQFQG-GCJKJVERSA-N 429.496 2.059 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740963364 IOWCEYGLSLTSRL-RBUKOAKNSA-N 443.548 2.016 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740965635 KFMZGDAALZZZFG-NVXWUHKLSA-N 430.484 2.014 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1741088701 OVIADVHEDJHNLZ-OAQYLSRUSA-N 436.516 2.179 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)c2ccccc2)CCOC1 1741731689 KNTZPUDVODEHKC-REWPJTCUSA-N 440.548 2.184 30 10 IEEE Cc1ccc(CSCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1742239898 YTFHQEBWZDPXDV-LJQANCHMSA-N 440.573 2.371 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1745141349 UHMSXWHUNAFGIV-UHFFFAOYSA-N 437.548 2.228 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(C)cc1 1748962850 SCDYVELHDWVLMI-RBUKOAKNSA-N 446.573 2.042 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCCCO)CC1 1748989143 GLMIRDCXJWJTEF-NRFANRHFSA-N 425.533 2.099 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOCCS(C)(=O)=O)CC1 1749343389 ICUPDFDOLOIDMY-UHFFFAOYSA-N 436.553 2.472 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nccs2)C1 1749713231 QJZNCWWQRZAJIE-OWCLPIDISA-N 437.591 2.222 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)c1 1751399876 CZTQRJOSHGNYAB-JOCHJYFZSA-N 426.496 2.442 30 10 IEEE Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CC2)c1 1751723782 ARGBONOTUULEOW-UHFFFAOYSA-N 436.520 2.351 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760186684 FJLCXRXQXSRUJV-LJQANCHMSA-N 447.605 2.011 30 10 IEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760192034 CWTWGBSTNGQALN-ZCNNSNEGSA-N 448.589 2.129 30 10 IEEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760349108 ZRWHIVIJZQVHFW-LJQANCHMSA-N 431.562 2.358 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760349679 VWDDDOWBXMBNKM-JOCHJYFZSA-N 432.569 2.234 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1760358388 VFSWSNSLBGBFOO-KRWDZBQOSA-N 448.545 2.138 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760377693 KPESKVKHBWWDEQ-AWEZNQCLSA-N 445.014 2.152 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1760396189 LNOCRXDZJNVMRR-UHFFFAOYSA-N 439.564 2.099 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](OC)C(C)(C)C1 1760556499 FUDMIOLMMUSASD-LJQANCHMSA-N 448.589 2.340 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760563854 GJRKKZSXFQKKTO-LJQANCHMSA-N 426.590 2.423 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC(C)(C)C1 1760917658 SDISVSLESCQFEL-UHFFFAOYSA-N 425.537 2.047 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1761282003 AKWBMUAAMDDGFM-SBUREZEXSA-N 444.580 2.363 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NC(C)C 1762069765 NCQBLERINPPCHM-UHFFFAOYSA-N 444.543 2.371 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCS1 1763089014 CTWYJMCTHJSAHQ-NVXWUHKLSA-N 446.602 2.040 30 10 IEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)OC 1763857673 HTPFMPNWOBOTII-RTBURBONSA-N 446.577 2.150 30 10 IEEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1765452944 FXZVTHBLVBTURL-VQTJNVASSA-N 442.589 2.314 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1768335937 MHQPNWRVNSEZOT-VRFFJNRBSA-N 442.589 2.170 30 10 IEEE CCSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1768400947 BTPNKXFMYROFMR-MRXNPFEDSA-N 435.575 2.221 30 10 IEEE COCCCN(c1nnc(COc2ccc(C#N)cc2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1769710829 RLRSSJTWKKAUPF-SFHVURJKSA-N 445.545 2.094 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)CCOCC1 1770069454 ANMLZYWWWMYDMR-SFHVURJKSA-N 441.532 2.254 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1771039427 COBMNKKXGOSBNK-OAQYLSRUSA-N 449.563 2.218 30 10 IEEE C=CCN(C(=O)[C@H]1CN(C)C=N1)c1cc(CS(=O)(=O)c2ccc(Cl)cc2)nc(C)n1 1851921553 LUXZFNXXCKYEQT-GOSISDBHSA-N 447.948 2.274 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 1852209071 IPZKXSDLMVEMRT-QGZVFWFLSA-N 438.619 2.470 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3ccccc3C#N)CC2)S1(=O)=O 1853031287 VHINQCRNTWCABO-UHFFFAOYSA-N 434.518 2.099 30 10 IEEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CC(Cn4cc(Cl)cn4)C3)CCC2=O)cc1 1857339050 KYJLDHJXCNEJLY-SFHVURJKSA-N 425.920 2.348 30 10 IEEE COc1cc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc(OC)c1OC 1858421674 BENFUMDRSSIGIZ-OAHLLOKOSA-N 445.497 2.233 30 10 IEEE N#Cc1cccc(C(=O)N2CCC(COC(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 1860056435 RALYFTNMXRELAY-UHFFFAOYSA-N 431.448 2.250 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862632386 ZZDVDWLGMSGYSG-BLVKFPJESA-N 439.420 2.161 30 10 IEEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863331940 VDGCEQRXXWPVNN-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1CCN(C)C 1870397281 YTAIEXJWEMBESK-UHFFFAOYSA-N 438.572 2.279 30 10 IEEE C=CCNC(=O)[C@H](CSCc1ccccc1)NS(=O)(=O)c1ccc2nc(O)oc2c1 1872597658 YTKIDLUVWJEZMM-KRWDZBQOSA-N 447.538 2.416 30 10 IEEE Cc1cccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 1873527194 PADGSFAYKNMHSC-VFJJTOLMSA-N 425.308 2.120 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)NCCc3ccccc3)CC2)CC1 1890289415 VOUYGTKVGOEDNL-UHFFFAOYSA-N 426.605 2.449 30 10 IEEE O=C(NCC#CCN1CCCC1)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 1890625596 ODBOJRADQGWUNE-QGZVFWFLSA-N 444.384 2.362 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1895838287 QNGNRZXHOBHTDX-PMPSAXMXSA-N 427.542 2.190 30 10 IEEE Cn1nnc(Br)c1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 1912681136 AEDVBSSAVCBGGM-UHFFFAOYSA-N 425.067 2.268 30 10 IEEE C=CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)C(=O)OC(C)(C)C 1985007931 SASDRXFTKAUUDZ-CVEARBPZSA-N 427.542 2.144 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1991984394 SWGABYXNXMAXNK-GJZGRUSLSA-N 425.526 2.086 30 10 IEEE C#CCN(CC(=O)O)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2059773430 IQUZIHCYYFVFDZ-UHFFFAOYSA-N 443.544 2.482 30 10 IEEE CN(C(=O)CN(CCO)C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060639331 GUSLWKGFXNHCTN-UHFFFAOYSA-N 434.342 2.178 30 10 IEEE N#C[C@@](N)(Cn1ccnc1CCCN1C(=O)c2ccccc2C1=O)C1(Br)CC1 2085675324 ZVYHZCHYUFOKQC-HXUWFJFHSA-N 442.317 2.260 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C#N)cc1Br 2141250304 KOEUXROAJVHIHO-CYBMUJFWSA-N 425.283 2.418 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]2C1 2224101213 HJNQDWWZEIPYCV-ULQDDVLXSA-N 431.342 2.427 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2224133870 BBHBBNKIXAVVPY-MRXNPFEDSA-N 432.374 2.344 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2247470078 CUNMZQJDDFGDIC-MRXNPFEDSA-N 442.557 2.309 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396446 ZGDMIYRLCOEPMF-IUODEOHRSA-N 437.371 2.314 30 10 IEEE C[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2248416120 MHWIQYKLUUGMDQ-LBPRGKRZSA-N 437.371 2.486 30 10 IEEE C#CCN(CC(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2249680292 POQOZXCFGXJCDK-JOCHJYFZSA-N 439.553 2.077 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](O)C1 2254797560 ZDWMAOOESROMTH-ZFWWWQNUSA-N 437.321 2.160 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)C1 2255187479 VHRLNTCICRZTBG-DHYJKAKLSA-N 439.556 2.405 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617244 BNABMTVDJZALIC-UONOGXRCSA-N 434.346 2.275 30 10 IEEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255751904 GCUZQLGOSCJZFP-UHFFFAOYSA-N 442.390 2.491 30 10 IEEE COC(=O)[C@@H](CC(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256595614 NXEFQBVMVOIUSL-LSDHHAIUSA-N 438.330 2.279 30 10 IEEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256626259 HVCVOMUTSWMVQM-NRFANRHFSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256626401 JSWORDKLGVCAPL-DDVAMESESA-N 436.358 2.489 30 10 IEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256680558 YTCNUVUCVJRGJG-QGZVFWFLSA-N 433.358 2.379 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2267126116 JXZCHMGZABGHEO-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)n1 2267502110 IYCAHFOXDRVCFF-HUUCEWRRSA-N 443.353 2.284 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267523122 XRYRCHQBDFOFEY-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267597087 SYYSHXBDYJWTSY-GOEBONIOSA-N 446.357 2.151 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@](C)(COCCNC(=O)OC(C)(C)C)C(=O)O 2306355386 KHVPOUSCRQWMNE-NRFANRHFSA-N 445.557 2.432 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2315699769 TVVWIRHKLJMOTO-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2337248514 ZRVNNFSKQFRIBZ-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1 6160682 KQGFZMVGADOEEK-GOBJLOIFSA-N 425.485 2.472 30 10 IEEE COc1cc(/C=C/C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc(OC)c1OC 96351041 HVFPICKTRMSIOZ-DHZHZOJOSA-N 435.480 2.423 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 103228394 VBDXNKGGGIZOCC-SADKCHQCSA-N 437.496 2.234 30 10 IEEE CS(=O)(=O)O[C@H]1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OCc2ccccc2)C1 214818068 HWCRFKZHASHODZ-OALUTQOASA-N 433.482 2.486 30 10 IEEE CN(C)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254750595 DLSFOPHBFKHDCH-OALUTQOASA-N 445.566 2.433 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 438827600 CNYZTHVQXUCCLF-QGZVFWFLSA-N 435.297 2.417 30 10 IEEE Cc1cc(N2CCN(C(=O)CS(=O)(=O)c3ccc(C#N)cc3F)CC2)nc(C(C)C)n1 463065134 PCMOQUHWDDUNQO-UHFFFAOYSA-N 445.520 2.042 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)c(F)c1 463273523 LXQSGFAWSXDZKR-UHFFFAOYSA-N 442.470 2.100 30 10 IEEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465378640 FILFBQFWYQULPL-QUCCMNQESA-N 447.557 2.463 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1 466040228 UIDUCTYAQCYFKU-QGZVFWFLSA-N 432.550 2.017 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 472949564 HDJNWNSAALSZFY-WFASDCNBSA-N 433.452 2.231 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 480495469 BUMPNUQVBOCIEI-KUHUBIRLSA-N 433.917 2.479 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)c1 481016800 BDZLUMRLTZTGFZ-HXUWFJFHSA-N 447.488 2.282 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 485060047 QOKRUCNNGZHGBO-UHFFFAOYSA-N 449.507 2.238 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 504020500 OZQYFVZRHXSAAS-UHFFFAOYSA-N 435.528 2.157 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 508479198 WXWUUGYULRTDHY-PKOBYXMFSA-N 433.578 2.454 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508800142 DRHPUOSXSOBIJW-KRWDZBQOSA-N 441.532 2.224 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 508951868 OFWZUMWDKZXKGC-APWZRJJASA-N 445.951 2.485 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 520145861 JSCLLDXCHKPJSK-UHFFFAOYSA-N 431.470 2.291 30 10 IEEE COc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)cn2)c1=O 531629894 FGEWWHRRXIPRQP-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE CN1CCN(CCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](c2ccccc2)C1 544840376 QJBGNUJLDDRAOG-QHCPKHFHSA-N 447.587 2.164 30 10 IEEE COc1cc(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1C#N 578376525 HVDQRTPYQFCIKH-UHFFFAOYSA-N 443.525 2.487 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 609671141 BDJKPJFGMBGTIJ-HXUWFJFHSA-N 442.516 2.199 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2OC(F)F)CC1 609814070 XLMFBPFLDRNLBW-UHFFFAOYSA-N 435.452 2.235 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1=O 624256048 FYNIIIOVXACIQK-UHFFFAOYSA-N 433.464 2.272 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(=O)N(C)C 676235754 MHNOEKHLRYYKSS-UHFFFAOYSA-N 445.610 2.085 30 10 IEEE C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 728896104 DGDKTTCTNJONED-OAQYLSRUSA-N 442.882 2.292 30 10 IEEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735344024 MHOZIANGMQQKIA-CYBMUJFWSA-N 438.889 2.258 30 10 IEEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1C(F)(F)F 741340583 FNQUWBWSHUTVFO-RKQLKTQESA-N 425.363 2.492 30 10 IEEE COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C#N 746888171 ZROKGTKLUOQVNG-UHFFFAOYSA-N 427.526 2.430 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 748410780 QKMGYBSLFWSCMD-RBUKOAKNSA-N 434.514 2.091 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3cccs3)cc2C1=O 753700451 UAOOWTFHHCSEBW-CRAIPNDOSA-N 426.494 2.495 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c2)o1 760407630 YHYMJQAALZELET-UHFFFAOYSA-N 432.502 2.459 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)C)c2=O)s1 772899076 SHENBVIVUTZGGM-UHFFFAOYSA-N 430.599 2.002 30 10 IEEE C#CCN(C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@@H]1CCS(=O)(=O)C1 774038634 MZPMYDOPUBCVJI-CYBMUJFWSA-N 428.392 2.410 30 10 IEEE COc1cc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 778813371 ZBOITOWLRIRCMX-LBPRGKRZSA-N 433.442 2.164 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780677074 CBGTWBCKWKZZAK-INIZCTEOSA-N 443.529 2.240 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 781654656 VOVRUHWWXYKKFM-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1C#N 786198357 WWPRITRHHUNVFO-UHFFFAOYSA-N 432.436 2.345 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1C#N 787888788 KNMNXCTZJIUJFN-UHFFFAOYSA-N 445.479 2.405 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 800780428 USUJIIZEHUSOSS-UHFFFAOYSA-N 438.532 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)CCO2 817524655 FIGUCGOPMDKCRV-KRWDZBQOSA-N 444.507 2.372 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 916179702 QZFHNWAIDMIVMV-UHFFFAOYSA-N 435.387 2.418 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1127913848 ULKHWYXDZGMYLE-KSFYIVLOSA-N 438.488 2.351 30 10 IEEE Cn1cc(I)c(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)n1 1129100694 CZRUQHCDJCTNJL-UHFFFAOYSA-N 433.209 2.481 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1129914556 WIFWBNCWRXZQOQ-LJQANCHMSA-N 426.454 2.209 30 10 IEEE CCOC(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1136200324 VTRGTUVNYJCKGG-KRWDZBQOSA-N 446.508 2.045 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1137371110 GRVYUPCFKFVTBF-UHFFFAOYSA-N 432.480 2.110 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1OC 1175932913 MXLZMIOLBIYCSS-XYBJCVHJSA-N 429.561 2.186 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC2(Cc3ccccc3Br)CC2)c1 1183598699 AVUVGOKMVDPIHC-UHFFFAOYSA-N 448.342 2.491 30 10 IEEE C=CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccccc2I)CC1 1190445385 HBQCTXCPPOAWNW-OAHLLOKOSA-N 428.270 2.167 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286299396 DIDMJCJKYTWDOB-CZUORRHYSA-N 442.511 2.355 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C(C)(C)C)no1 1286469896 MKARXLZYAKUJDK-LPHOPBHVSA-N 431.537 2.422 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccnc2OC)CC1 1286485538 PDPQVYGDTVDBLQ-WOJBJXKFSA-N 438.576 2.404 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286566940 KPNQYJDECNZISK-CABCVRRESA-N 444.602 2.204 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1286582208 TXXVFMJMTNWGRY-UHFFFAOYSA-N 441.580 2.396 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1286687629 KWFPQQQBNAUGKT-GOSISDBHSA-N 433.582 2.045 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C#N)o1 1288186716 NTVPWIQHLRFEBY-CQSZACIVSA-N 443.508 2.033 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCCO)cs1 1290432921 RCJACFKUHQNKST-LJQANCHMSA-N 429.594 2.363 30 10 IEEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)s1 1290679069 OWKSTMFBUFFQQK-UHFFFAOYSA-N 428.566 2.437 30 10 IEEE CCCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1294648774 UKALCKYURRRZOP-UHFFFAOYSA-N 442.589 2.174 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CS(=O)(=O)c4ccccc43)C2)C1 1295338117 HNLOGEZBNWRJGL-ZTHJGWAOSA-N 445.541 2.418 30 10 IEEE C#C[C@@H](CO)NC(=O)c1sccc1NC(=O)c1ccccc1I 1298584585 KTFCRAMCSWEYHY-JTQLQIEISA-N 440.262 2.329 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1300304957 RDFAEGONOMILLK-MSOLQXFVSA-N 449.559 2.409 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1csc(-c2ccco2)n1)[C@H]1CCS(=O)(=O)C1 1300499466 SESAADLEDLJHEC-HNNXBMFYSA-N 431.543 2.232 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCOCC)CC1 1300730580 BFPUCHFGHWPEQL-UHFFFAOYSA-N 439.560 2.476 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1300918610 BTQSTUWYDFJQHS-QFIPXVFZSA-N 443.573 2.302 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1300989961 AKOLDZCXSLIQSH-YVGXBJCXSA-N 431.562 2.196 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCOCC1 1301295237 WSWZYYZPEFFXTR-IBGZPJMESA-N 440.596 2.043 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C(C)C 1301584527 BMISMHZKKSWTNH-SFHVURJKSA-N 449.552 2.384 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1Cc1ccc(C#N)o1 1303805252 YKKPJKSVHHRYBM-UONOGXRCSA-N 444.517 2.304 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCC(=O)N(C)C 1305987668 HCYZCKMTWMLJBT-GOSISDBHSA-N 426.521 2.017 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CC(O)(c3cccc(Br)c3)C2)c1 1307964475 YFEUOUOTCIXCFD-UHFFFAOYSA-N 428.286 2.282 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(CCC#N)CC1CC1 1314674453 CZJRWEWGDUHILT-UHFFFAOYSA-N 441.561 2.448 30 10 IEEE COCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1316063483 MSVZCQDWMLKKMM-VXPUYCOJSA-N 444.923 2.131 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCOCCCO)c1 1316528881 KBTMWINXCSLKOD-NRFANRHFSA-N 425.533 2.469 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2CCCCCO)c1 1316530151 GAUGTRFPYQYPIZ-UHFFFAOYSA-N 437.548 2.317 30 10 IEEE C=CCO[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)C1 1320038078 NCXFWIHAOFECNY-UWCCDQBKSA-N 433.505 2.255 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1348987024 OAMZEAYBPHZVSA-UHFFFAOYSA-N 441.538 2.327 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 1355000630 LHFYNWAAUQHWKB-VQTJNVASSA-N 426.517 2.295 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC(C)C 1358876925 SZUXASDSVJASTQ-QGZVFWFLSA-N 433.578 2.468 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCN1CCOC[C@@H]1C 1358899085 HAGDFLXHXKHILT-OALUTQOASA-N 427.549 2.434 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2([S@](C)=O)CC2)c1 1358903414 WCHUNPYZHTWDJM-PMERELPUSA-N 427.574 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCOC2)CC1 1359045589 MSXWMJOXPGVWEH-LJQANCHMSA-N 439.535 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@H]2C)CC1 1359048481 RVVFJYADAAJTAR-PBASOCQRSA-N 443.592 2.404 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CN(C)C(C)C)CC1 1359060250 PBDYPTQBTADPMJ-UHFFFAOYSA-N 432.638 2.324 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1359082230 CJKACADJOMPPMT-CQSZACIVSA-N 434.342 2.255 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCc2ccco2)CC1 1359172708 FVWICOOKGUWJGB-UHFFFAOYSA-N 435.488 2.237 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359182578 LWFHWURQINDMME-SFHVURJKSA-N 427.553 2.428 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1359231343 TYVIKFDUYGLZEO-QGZVFWFLSA-N 447.609 2.190 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1359301431 YQZGVFWTLNTCQP-CRAIPNDOSA-N 449.914 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1359334267 YXRMWTLJSHGLBU-OAQYLSRUSA-N 434.537 2.226 30 10 IEEE C#CC[C@]1(C(=O)N2CCc3c(CC(N)=O)cccc3C2)CCCN1C(=O)OC(C)(C)C 1438369838 AXEXCUYANZOSJD-XMMPIXPASA-N 425.529 2.392 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@](OC)(C(F)(F)F)C2)s1 1447791355 JAYNZWDNPSNHNW-HNNXBMFYSA-N 426.482 2.325 30 10 IEEE CCC1(N2CCCC2)CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1454564520 PQKQSIPZEDNRGW-KRWDZBQOSA-N 432.590 2.371 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 1455792409 OYJDANYQZZVCGC-SFHVURJKSA-N 441.528 2.477 30 10 IEEE CCOC(=O)c1nc(=N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Br)c[nH]1 1458310659 OOBXLSMHCDJBIC-OAHLLOKOSA-N 444.289 2.317 30 10 IEEE C=CCCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1463242252 YUXSZZOQLVPZQS-UHFFFAOYSA-N 426.535 2.153 30 10 IEEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466047751 NTMQFBCAJTWPJB-UDCJOXCSSA-N 449.548 2.342 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CF)CCOCC1 1468147498 LNVGQXSITXGBCD-MRXNPFEDSA-N 425.526 2.022 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1473637411 GKRJYPDKSQNRRT-SIKLNZKXSA-N 447.601 2.447 30 10 IEEE CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1501199115 FYODXTDGIOFDIT-UHFFFAOYSA-N 428.500 2.427 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1501805934 HDDJVKXLVNJJRO-ZWKOTPCHSA-N 428.537 2.325 30 10 IEEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1502237905 JYIFHGXCCSSDQZ-QGZVFWFLSA-N 448.304 2.148 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1505037028 ILULDBGORVLAKG-NHCUHLMSSA-N 441.532 2.460 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1507564797 WYAHQCNRMLVQFR-IBGZPJMESA-N 433.622 2.438 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507628685 HXIMWZCTARNJGN-IIBYNOLFSA-N 432.521 2.280 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CCN1CCCS1(=O)=O 1507699556 HZPXZFYYEMYGPC-UHFFFAOYSA-N 449.602 2.074 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1507718601 FJTLWLHOCYFOCG-HBMCJLEFSA-N 433.597 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2OCCC2(C)C)CC1 1507739958 MISAOUPEMJQHAY-HXUWFJFHSA-N 436.560 2.045 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1507900392 MHBGOOUDSKJPGW-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1509795381 ZJVAZVJJQHZFJV-MIZPHKNDSA-N 448.612 2.414 30 10 IEEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 1515442871 PFLOOCKHVHTLFO-UHFFFAOYSA-N 426.439 2.259 30 10 IEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1515579811 DSEMCOWLRQAYBK-UHFFFAOYSA-N 446.559 2.205 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCc2cccc(C(N)=O)c2)CCOC1 1516160723 FXISPDZUIVYIJW-QHCPKHFHSA-N 438.532 2.012 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1518960697 KLNQBSXFPPYXIU-HSZRJFAPSA-N 443.548 2.440 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)Cc1cccc(Br)c1 1538379570 HOUQDJPFKRHXDN-UHFFFAOYSA-N 444.347 2.167 30 10 IEEE CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1F 1538886498 BUBJGHCEKXWQBA-UHFFFAOYSA-N 446.294 2.470 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1539052015 AZXPRLUJSCRACU-VQIMIIECSA-N 449.552 2.409 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1539203923 WATPOKMRVKXIIR-MOPGFXCFSA-N 435.638 2.467 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OCC)CCOC1 1539639968 DFSPKIZFIJQRPL-LTMIRXACSA-N 449.596 2.262 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539782759 BLPPBOTWRRJIBI-SFHVURJKSA-N 426.908 2.397 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1540161565 FOSWIYZRVMMNJE-UHFFFAOYSA-N 435.536 2.404 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cc[nH]n1 1540784613 MSCNCLHRPYWJLA-SFHVURJKSA-N 447.923 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)C[C@@H]1CC 1540868461 GMBOBOHWVJVBAC-CVEARBPZSA-N 445.593 2.165 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1542028183 SOGNTGUGSNCKTR-QFIPXVFZSA-N 437.479 2.427 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1542472607 YJSPVBHBYZWBBR-NRFANRHFSA-N 446.577 2.235 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCn3ncnc32)cc1 1544855129 LPXSHRFVRSYCCE-KJCFGCQTSA-N 430.534 2.387 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCN1CCN(c2cccc(Cl)c2)CC1 1545847848 CVFWELIQWLXODH-UHFFFAOYSA-N 429.956 2.120 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1555328525 SLEUEYWLYDCPDP-HNNXBMFYSA-N 435.488 2.056 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1Cc2ccc(C#N)cc2C1 1557206504 HWKAXCIQBQDWPO-IPMKNSEASA-N 445.541 2.071 30 10 IEEE Cn1nccc1[C@@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1558499395 VZLXGWDALUWBDE-SFHVURJKSA-N 429.546 2.383 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 1561208995 STUNXZLBKCLOEE-UHFFFAOYSA-N 432.271 2.475 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3ccc(Br)cc3c2)CC1 1565590299 VYVLDAXGAVBGKO-UHFFFAOYSA-N 428.330 2.500 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 1587501287 SSJVINJHVDZRAC-INIZCTEOSA-N 436.896 2.300 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 1587922631 HDYNPXKCIFADGW-JXFKEZNVSA-N 432.473 2.088 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588034673 KGUUIACLNGVTOB-LJQANCHMSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588059334 LZRWXUBLEXLAKA-FQEVSTJZSA-N 443.573 2.110 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2ccc(C)cc2)CC1 1588923823 NAFMTXFNHVTCRO-RXVVDRJESA-N 448.571 2.307 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1589150364 FIQHIDFOBBPIEJ-HRAATJIYSA-N 431.562 2.246 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCc3nccn3C2)CCOC1 1596791303 QLUSPBLZZYCFCG-KGVIQGDOSA-N 427.553 2.374 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)c1 1616998094 LSXMNLGCHVAYNX-INIZCTEOSA-N 431.436 2.251 30 10 IEEE C=CCOC[C@H](NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)C(=O)OC 1617949507 FQJSWGWXDPQDER-KRWDZBQOSA-N 434.489 2.290 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(C4CCC4)n3CC(=O)NCC(F)F)CC2)c(F)c1 1620350157 AOJBCWWLSPIPSO-UHFFFAOYSA-N 447.465 2.264 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1623628777 GELVGMZLRATTJW-IPQPSQTFSA-N 436.597 2.436 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)c2cccc(Br)c2)c1 1623781037 WKZRBOCZVTXELY-MRXNPFEDSA-N 441.278 2.349 30 10 IEEE C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1627424790 GPRWYUBCZIUFSX-LSDHHAIUSA-N 438.550 2.300 30 10 IEEE CN1CCC(C#N)(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CC1 1628126231 GYDBWFGXHPHYIY-UHFFFAOYSA-N 434.468 2.483 30 10 IEEE Cn1nccc1[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1628138505 YFNCBTPJSATTKX-IBQBPIARSA-N 429.521 2.107 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)C2)C1 1628306860 UMOUYWSZSSJYSN-QHVLMSRDSA-N 439.578 2.245 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1630720151 RCOYFFOPLFTITG-BBRMVZONSA-N 446.508 2.173 30 10 IEEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCN1CC(C)(C)O 1634203941 AMTSXMNPZLIBHI-OQXXTQHASA-N 434.581 2.077 30 10 IEEE C#CCOc1ccc(CNC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)cc1 1636915325 CSUFNRWSACJCNE-UHFFFAOYSA-N 431.514 2.211 30 10 IEEE C[C@H]1COCCN1C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1638000250 ZFDWBLYBZLRREA-NURHGZAZSA-N 446.592 2.485 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCc2c(sc(N)c2C#N)C1 1639993318 QVAVHLPPVQKPPJ-GOSISDBHSA-N 425.489 2.454 30 10 IEEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O 1642239073 BFGQUNVEBXNPIA-IBGZPJMESA-N 426.517 2.151 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2n[nH]c3cnc(Br)cc23)cc1 1643310472 LBXQCOSNLHTUOS-UHFFFAOYSA-N 434.275 2.146 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)O1 1648155571 LZFBDPAXNBKQGF-CVDCTZTESA-N 440.569 2.092 30 10 IEEE C#CCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649382801 MIJAKZDHKXYUKU-HUUCEWRRSA-N 431.455 2.305 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)CO 1654816646 AKEKHPWKASZFGL-MRXNPFEDSA-N 432.439 2.117 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1674892179 CQVVGZUJYODLTM-ULQDDVLXSA-N 429.414 2.410 30 10 IEEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1684112461 YSMALJQZCZIRDS-HNNXBMFYSA-N 446.305 2.171 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NCCc2ccc(I)cc2)CC1 1684295617 UMCCSJXHOYBVTH-UHFFFAOYSA-N 439.297 2.005 30 10 IEEE C=C(CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1686698777 IDJXOWNAVSRGBE-SFHVURJKSA-N 437.562 2.423 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1689831628 OFFSFRHMEAHCKB-CYFREDJKSA-N 439.560 2.273 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1690068039 VEMKEDRXSXVYBU-UHFFFAOYSA-N 434.500 2.354 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1690169945 UDWAZOUSYLYAIF-KRWDZBQOSA-N 427.578 2.090 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690175344 VFVZJKPEIODVOQ-SFHVURJKSA-N 425.558 2.310 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690327067 IWPUKDBOUDZEIR-IRXDYDNUSA-N 445.955 2.225 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690488998 WWTRYTIHPGBQQA-GOSISDBHSA-N 430.578 2.428 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1690565745 RSPQPSRIRBROGY-LJQANCHMSA-N 440.573 2.463 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCn1cc(Br)cn1 1690622608 TTYQJMPGESQUAM-AWEZNQCLSA-N 425.331 2.080 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1690680384 QSMFTSFRYWPWLG-UHFFFAOYSA-N 433.578 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690723084 HDLPLTKDSBONQB-GOSISDBHSA-N 447.609 2.271 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCOCC1 1694314834 GHLYFNTXXZEFBX-UHFFFAOYSA-N 431.585 2.049 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC1 1696175525 HWCGAHWWTGAMDV-GOSISDBHSA-N 426.521 2.080 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CCCO2)cc(OC)c1OC 1697255510 BLNVFLBSDSUFRD-AOMKIAJQSA-N 443.504 2.269 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705563643 BNTUAVYYRBFGOJ-MSOLQXFVSA-N 444.557 2.007 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705729149 MXJHUIQVPDFRON-JOCHJYFZSA-N 431.512 2.246 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1705799502 YNHZUJLGJRDFAH-UHFFFAOYSA-N 434.548 2.464 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCO[C@H]1C 1705857107 PQJNZFGFBWBHPJ-GAJHUEQPSA-N 436.516 2.476 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705860478 IQTWIWLGXROCRF-QFIPXVFZSA-N 443.573 2.090 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1705869061 KULXHOUMFLWEQC-YOSAUDMPSA-N 442.608 2.197 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCOC2)C1 1705897051 FJJWUNRKGCBSLP-ZHRRBRCNSA-N 429.496 2.476 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 1705904244 JUFSSSXWUFUFFX-KRWDZBQOSA-N 448.568 2.125 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COC)c2)C1 1705914349 LZUHUNHWHDRJKA-FQEVSTJZSA-N 425.533 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705933164 WMVSFVBXNXTHRB-OAHLLOKOSA-N 449.964 2.010 30 10 IEEE CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706704184 XPGWLMAGUDEKSB-QRQLOZEOSA-N 446.577 2.057 30 10 IEEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1F 1708788110 FADFXIJEKUSTOH-IRXDYDNUSA-N 425.468 2.404 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC(CC#N)CC1 1710974334 STLNUWLBTMSWPR-WOJBJXKFSA-N 443.596 2.202 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(CC)c1 1722276043 CFWDBXDFSOZUQA-OAHLLOKOSA-N 440.577 2.269 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCOCC 1722290965 HLVFMQXAXHJJSF-IEBWSBKVSA-N 425.533 2.459 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722337606 GELLIKPUWNGYQS-SFHVURJKSA-N 431.562 2.049 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722360798 JSGWUTIQCHRYBA-ZCNNSNEGSA-N 443.573 2.028 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722362030 LWEXPTOQIXJFJU-MRXNPFEDSA-N 443.504 2.364 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccs1 1722412874 QQMGDRLPQHLBGF-UHFFFAOYSA-N 433.541 2.468 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)NC(C)C 1722476006 LNHIYOBHHXXHLT-JOCHJYFZSA-N 445.589 2.220 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1722497381 VFLMCUULXGOGIJ-RTBURBONSA-N 427.530 2.033 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1722504971 PVJFCYSYACIUMV-XMSQKQJNSA-N 436.516 2.036 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1722508148 IAXIJQBEPZFJFY-ICSRJNTNSA-N 426.521 2.134 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722527469 KGLLKIVQRXXAOZ-KRWDZBQOSA-N 446.577 2.450 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722538684 ZZOCUQUHNJLPBC-SFHVURJKSA-N 448.593 2.323 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1722665109 KJHVTDIPTDDKNQ-VAMGGRTRSA-N 430.597 2.495 30 10 IEEE CC1(C)CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1724023217 BUJJNLDDZNTQRQ-MRCUWXFGSA-N 435.532 2.417 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1725817837 GHCVCLCZRJXZSK-QFIPXVFZSA-N 433.520 2.454 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1728297799 UJQJWENPHZDEMH-OALUTQOASA-N 427.530 2.175 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCO2)cc1OC 1728859938 WMJPFWIRHQIDSO-MSOLQXFVSA-N 425.489 2.426 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1730761660 CJQAWRLFYBWVNU-GOSISDBHSA-N 442.545 2.008 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740594666 UZPCHAVTEUIEJJ-UHFFFAOYSA-N 429.590 2.385 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C 1740612868 LDPWIBQFUCWOQY-YADHBBJMSA-N 436.604 2.385 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740621413 XDCQFVYQMGIRNR-FPOVZHCZSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1740624085 FFAXHSPTEOCMEI-IBGZPJMESA-N 434.606 2.454 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740788134 OXIUWQBVKYMMTI-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](OCCOC)C1 1740813888 NRFXEDGBBZDWGS-CQSZACIVSA-N 425.942 2.264 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1740949412 GQBOLYJKQMDESK-HNNXBMFYSA-N 427.571 2.407 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1741005007 BPJHPDRKYFBGKT-UHFFFAOYSA-N 448.618 2.294 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C(C)(C)C)no2)CCOC1 1741731587 JMYGJHCHSNEWSJ-VGSWGCGISA-N 444.536 2.381 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(CC)nn(C)c1OC 1748773783 FZOXQOSXWNSTPT-UHFFFAOYSA-N 432.326 2.458 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749083885 LSLUCDKDEAVPMO-RISCZKNCSA-N 439.358 2.467 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccnn2)CC1 1749106294 AMLZPBLEIJYQQX-UHFFFAOYSA-N 441.337 2.289 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1749323474 NVTSKENUSGYCIZ-UHFFFAOYSA-N 443.573 2.368 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749403804 LJUZXOJBHLGOJH-FQEVSTJZSA-N 437.548 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749729544 NARMPOKUPUMNCM-LJQANCHMSA-N 445.589 2.159 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1750062076 CRSWVXDQHHEVJD-CYBMUJFWSA-N 436.358 2.414 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCN(C)C)CCOC1 1751023373 SYJGZXXXXNAJFQ-VXKWHMMOSA-N 434.585 2.027 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)c(=O)n1C 1751525951 AKEIMSZEXCZSQB-UHFFFAOYSA-N 434.500 2.011 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCNC(=O)OC(C)(C)C 1751929828 WWPABXFHJIGOGI-UHFFFAOYSA-N 440.552 2.485 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760143605 LKULXLCQNPOZFL-ZVDOUQERSA-N 429.565 2.397 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1c(OC)cc(OC)cc1OC 1760200552 NEFRNDBZTVPWAJ-UHFFFAOYSA-N 432.484 2.076 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCNC(=O)C(C)C 1760325733 SFCOHRGVHWHFHX-CTNGQTDRSA-N 443.596 2.329 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2OC)CC1 1760381902 DGQGRSNZNPAGJG-OAHLLOKOSA-N 435.550 2.110 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1760386667 FUKQGTRITLREMN-OAQYLSRUSA-N 443.939 2.276 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760451778 STNOULSWIAHMPY-AUSIDOKSSA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760522081 LRDTVOYTIXKODL-MSOLQXFVSA-N 441.507 2.323 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(F)c1 1760552170 FGZPXUDKHTVRHZ-UHFFFAOYSA-N 436.488 2.194 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1C(C)(C)C 1760557919 AASWYNASMZPTDH-SFHVURJKSA-N 449.625 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCC1 1760777809 BBYCQTTWIWJISV-SJORKVTESA-N 446.552 2.384 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1761544488 FISJDTKONWJANA-OAQYLSRUSA-N 446.552 2.174 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763932663 DYFNNIIKCSSEOU-KRWDZBQOSA-N 447.547 2.171 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1765590690 NAOPUTXIHIJONT-LJQANCHMSA-N 447.547 2.412 30 10 IEEE CCOc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1767523710 KMNBVUJYNVCNDF-ZWKOTPCHSA-N 427.505 2.356 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(F)c2)CCO1 1770751389 HZNVPSZRVIUAPM-KRWDZBQOSA-N 440.504 2.380 30 10 IEEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc1 1771234943 YOZPARNMLIHTJX-FQEVSTJZSA-N 438.532 2.433 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1771305285 YKVBNBYQLKKYRI-SXLOBPIMSA-N 441.532 2.007 30 10 IEEE CN1C[C@H](CO[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)CC1=O 1851325664 PVPXPDGFPGIIPN-IEBWSBKVSA-N 428.510 2.274 30 10 IEEE Cn1c(=O)ccn(C2CCN(C(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)CC2)c1=O 1852942398 DOYRHTCRCIOLCS-IBGZPJMESA-N 429.480 2.075 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cncc(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517234 VSYYKKHRLRDUHE-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE CN(C)C(=O)[C@]1(F)CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1855019881 YYSVILFQVKPTPG-UWJYYQICSA-N 434.899 2.039 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccnc3)cc2)c1 1858994095 DYNYVHIHRGHHBM-UHFFFAOYSA-N 449.492 2.436 30 10 IEEE Cn1c([C@@H](C#N)C(=O)CN2CCN(c3nc(O)c4ccccc4n3)CC2)nc2ccccc21 1859428320 VGWKQCSDQACVKE-KRWDZBQOSA-N 441.495 2.221 30 10 IEEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870387354 AMJZUDYNRBOPHT-UHFFFAOYSA-N 441.528 2.165 30 10 IEEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCN(CC)CC1 1870505483 ZTDCVXTVJXBAIP-UHFFFAOYSA-N 430.593 2.342 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC(C)C)cn1CCNC(C)=O 1870581168 DSKLVTIOULZWIW-UHFFFAOYSA-N 433.549 2.127 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1891500120 QMUDDXOVWDHRMY-FQEVSTJZSA-N 442.537 2.437 30 10 IEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1964763512 IQIAKGLCIIEHSP-SFYKDHMMSA-N 428.533 2.295 30 10 IEEE CC(C)(C#CC(=O)Nc1cnc(I)cn1)NC(=O)OC(C)(C)C 1993951286 RPDMQXIPWIHPNK-UHFFFAOYSA-N 430.246 2.326 30 10 IEEE C#CCN(C(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2022865952 PLIYBNCVTXMTFP-WBVHZDCISA-N 439.553 2.122 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CC(CB4OC(C)(C)C(C)(C)O4)C3)[C@@H]2C1 2060625496 KXYDSQDBZUYVKZ-BBWFWOEESA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2063391940 BHEJHKFSJRIJTA-YNZWCRRESA-N 436.358 2.299 30 10 IEEE C#CCn1ncc(NCCC2(OC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2167025666 CAMAANXXWVGGKK-UHFFFAOYSA-N 441.326 2.077 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229100141 VVKCYYJDVXGMMI-CVEARBPZSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248407462 IVUAFDFEBDIBEP-ZDUSSCGKSA-N 437.371 2.458 30 10 IEEE CN(CCCN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255697158 FIXFOZJVVUMXMD-UHFFFAOYSA-N 434.346 2.105 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255803786 UFMJTMLCRYRKOZ-UHFFFAOYSA-N 431.342 2.320 30 10 IEEE Cc1nc(NC(=O)[C@H]2[C@H](C)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256594670 BHYYMBHHGSRZSZ-IUODEOHRSA-N 432.330 2.278 30 10 IEEE C=C(CN(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256612412 DEOZENOZTVMSEQ-INIZCTEOSA-N 434.346 2.492 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2256629047 PSLDEIQGLCEHRH-CQSZACIVSA-N 436.362 2.380 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2256673961 WZWGBDSRDATEGV-RHSMWYFYSA-N 435.374 2.420 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)ns2)OC1(C)C 2256922233 DTBUYBCJDWJYQZ-HNNXBMFYSA-N 446.334 2.232 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258955533 SBZVOYMEDJTVOS-IAGOWNOFSA-N 436.358 2.400 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267128327 XHCDBSAPCJBLFH-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267144224 STVYIKYEESBXAL-QDMKHBRRSA-N 446.357 2.369 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2267494214 QEVXHBBZYQYQLV-OALUTQOASA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)O 2268631572 ZZKLAIVMAQXWOB-JOCHJYFZSA-N 449.357 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCO1 2268698458 AVJYCJVWPFQZKP-DOTOQJQBSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278740753 YHJVFJRTRZSNCC-CRAIPNDOSA-N 444.347 2.244 30 10 IEEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2282866395 ILJLFVMRSSNGHC-CQSZACIVSA-N 443.396 2.048 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2315637552 HHGUXGWJIJMCFX-CJNGLKHVSA-N 446.334 2.231 30 10 IEEE COCCn1cc(C#C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cn1 2318101914 SXRPKWZQTKQGRK-JOCHJYFZSA-N 442.560 2.269 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)cc2)C1 2323177788 RIVWCQLSEFGPNV-LJQANCHMSA-N 444.528 2.318 30 10 IEEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327901963 CYYPWXVHKAMPTI-CQSZACIVSA-N 433.534 2.073 30 10 IEEE COc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)c1OC 2329825894 HCARALIGCNNZHM-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE CN1CCC(N(Cc2ccccc2)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1 2337193380 DHZCNDKHPKWGOW-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3ccc(OC)c(OC)c3)n2N)c1 20292762 JOSRLOLMQNEVFJ-SSDVNMTOSA-N 442.501 2.439 30 10 IEEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1cccs1 72472562 NUDKDWQFWVBOPQ-MLGOLLRUSA-N 435.465 2.200 30 10 IEEE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCOc1ccc(F)cc1F 90732374 BGRUQBFRKWJGIE-CQSZACIVSA-N 431.464 2.246 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)/C1=C(/O)c1ccc(Cl)cc1 102483072 BPHSBXKFVTWSRF-LAFOYAEKSA-N 427.888 2.489 30 10 IEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccn2)cc1 170353477 ASIDKPOKXLAYPH-KRWDZBQOSA-N 425.422 2.105 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)C2)nc1 433144464 CFWRGLVSCPKTHB-MRXNPFEDSA-N 445.476 2.317 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1cnc(N2CCOCC2)c(F)c1 462671399 AIYHNXSSLBMKTK-UHFFFAOYSA-N 444.410 2.426 30 10 IEEE CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CCN(c2cnccn2)CC1 469014198 MJDUHJRKWNMVCT-UHFFFAOYSA-N 427.530 2.295 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](c3c(C)nn(C)c3C)C(F)(F)F)CC2)c1C#N 471924323 MFKRMTWGWZYYBW-MRXNPFEDSA-N 438.458 2.086 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C#N)ccn3)CC2)cc1OC 477427395 NCSHRSNDWJSSLV-UHFFFAOYSA-N 430.486 2.010 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NCc2cccc(N3CCOCC3)n2)c1 478896309 JRXTXUZJDZIZPM-UHFFFAOYSA-N 437.319 2.031 30 10 IEEE CCn1c(O)nc2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)ccc2c1=O 479303468 AYKJWTGLIKDPAO-UHFFFAOYSA-N 431.496 2.410 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nnc1-c1ccccn1 481375736 QKHHVKHCHCEONK-KRWDZBQOSA-N 430.578 2.091 30 10 IEEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 482507092 IATYNPTWSBRAJB-PXNSSMCTSA-N 429.542 2.331 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2cc(OC)ncn2)CC1 508478901 UXIGQBBUGNUAHB-UHFFFAOYSA-N 435.488 2.028 30 10 IEEE Cc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1S(C)(=O)=O 534777342 LHBBRCQIYCGUCA-QGZVFWFLSA-N 440.481 2.114 30 10 IEEE CN1C(=O)c2cccc3c(S(=O)(=O)N4CCN(c5cccc(C#N)n5)CC4)ccc1c23 545468808 QKNCHQBCEJRFPO-UHFFFAOYSA-N 433.493 2.207 30 10 IEEE COC(=O)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)Oc1ccc(Br)cc1 551225482 MEHZOTBKUFIFBY-OAHLLOKOSA-N 445.335 2.373 30 10 IEEE COC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 554237782 GLNRFGGLONGGCG-UHFFFAOYSA-N 446.460 2.022 30 10 IEEE CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(=O)CC#N)CC2)cc1[N+](=O)[O-] 567427577 UDPUCPLCTSHWRJ-UHFFFAOYSA-N 449.467 2.090 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1OC 603791751 GKLJSNDPWYDRNM-UHFFFAOYSA-N 433.533 2.327 30 10 IEEE Cn1c(N/N=C/c2cccc(O)c2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 606631389 ZUGZAFKSJLVKPG-FOKLQQMPSA-N 438.875 2.287 30 10 IEEE N#Cc1ccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)c(F)c1 609229653 HHOFFRBZAWZQJO-UHFFFAOYSA-N 448.199 2.208 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 609694333 KOWZPDWQENNTCA-OFNKIYASSA-N 433.512 2.266 30 10 IEEE N#C[C@@H]1CNC[C@@H]1c1cc(I)cc(I)c1O 687744328 GEGYLDMCWYLNLH-MUWHJKNJSA-N 440.022 2.428 30 10 IEEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\Cc1cccc(C(F)(F)F)c1 730144114 HLAUJSSFVHWXQI-PHFYZZCHSA-N 440.491 2.207 30 10 IEEE CCOC(=O)C1=C(COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)NC(=O)N[C@H]1C 732399044 TYUXEXDPVWVGFS-ZDUSSCGKSA-N 436.424 2.421 30 10 IEEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 735839710 FJYHJEQHFTZQNH-RDJZCZTQSA-N 429.521 2.362 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccc(C#N)cc1 740211534 RKCCZYVNXDFMFB-KRWDZBQOSA-N 432.816 2.155 30 10 IEEE COc1cccc(Oc2ncccc2CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 741409550 HHCCLLWZGYALAT-FMQUCBEESA-N 437.456 2.208 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1Cc1ccccc1 743727952 YKGGEGSYWHWBIM-UHFFFAOYSA-N 438.578 2.142 30 10 IEEE Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCOC1 751653743 IHHRPPMJKVUNSM-RHSMWYFYSA-N 438.981 2.437 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#C)CC(=O)O 757269195 ZHPIMILEGYHBFS-QFIPXVFZSA-N 430.460 2.463 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(NS(=O)(=O)C(F)F)c1 761475105 GYLUMVDKQSPHID-UHFFFAOYSA-N 435.405 2.471 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(F)cc2)cc1 764979094 JYWHPDWCGAIANC-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 766231339 DMVDTYFXXDFLQF-UHFFFAOYSA-N 438.387 2.436 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)ccc2c1=O 767160671 PCBMRRRVFMIEOZ-LBPRGKRZSA-N 434.518 2.446 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOCC)[C@H]1CCCO1 773051466 NALQUSJTACBNHG-HUUCEWRRSA-N 432.336 2.324 30 10 IEEE CN(C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]2C1(C)C)C(C)(C)C#N 782392462 OALSPWPREGGCKK-VKIFBMEASA-N 437.537 2.389 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 782679097 MBKHLKCLOOCSRY-UHFFFAOYSA-N 444.532 2.484 30 10 IEEE C=CC[C@@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 790563522 FYALNLKBJSKCAA-JPYJTQIMSA-N 436.597 2.391 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 790586758 MWPOFHBPKKVMLD-QHCPKHFHSA-N 436.597 2.345 30 10 IEEE COc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)c(NS(=O)(=O)C(F)F)c1 799821614 IABJAVFGNWOEME-UHFFFAOYSA-N 437.490 2.268 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 800780029 HSSYFWFLPLYFLM-VGSWGCGISA-N 427.505 2.275 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 802554517 FYQIIRHQGBZTPY-UHFFFAOYSA-N 426.521 2.243 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)N(C)C)CC1 802601244 NVSMMZQJLDVZOY-UHFFFAOYSA-N 441.536 2.084 30 10 IEEE CSc1ccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)cc1 916776277 XEAVKQMTNXVBDR-MRXNPFEDSA-N 429.523 2.279 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NCCCN1CCCCCC1=O 919008402 ZONJJQZCWKGVGF-UHFFFAOYSA-N 426.473 2.316 30 10 IEEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1129762870 FTNVXIVOKHQQBU-DAYGRLMNSA-N 427.892 2.335 30 10 IEEE C#CCN(C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1136355312 RIKXZXDUCIEPGJ-OAHLLOKOSA-N 438.571 2.304 30 10 IEEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CC1 1148405488 AQJUGHAHERFGBC-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nn2c(O)nnc2O)c1 1160073230 IDSXZKBBKZUDAF-UHFFFAOYSA-N 449.876 2.108 30 10 IEEE COC1(OC)CC2(CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)[C@H]2c2ccccc2)C1 1163814071 WTHDFODZGJHYBY-NHFXJNLRSA-N 425.485 2.256 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@@H]32)cc1 1170363762 AUGCPJVYTSQXGB-NZSAHSFTSA-N 445.338 2.429 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 1211110912 HNEWPLPROMMFJC-KBRIMQKVSA-N 428.352 2.193 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 1221502240 DGQAWOPGRGVEEU-LJQANCHMSA-N 429.517 2.082 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1233991891 SFCUGMAFNCPYIX-IBGZPJMESA-N 434.422 2.169 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCSC2)c1 1286309307 JPJLJPPWSPDJEC-QGZVFWFLSA-N 435.557 2.488 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286353848 BAYLGTOPZJINIP-KRWDZBQOSA-N 443.621 2.084 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286391156 GKLFMDVWTHDDID-SFHVURJKSA-N 448.614 2.252 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1286402544 FYFGXFFKCGJIOL-MHECFPHRSA-N 438.528 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286490296 JOAXOBLNMQRPDP-OALUTQOASA-N 442.608 2.011 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)O)CC1 1286656718 YCVYZOVVCDTWDV-UHFFFAOYSA-N 433.578 2.369 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1286785730 RCZXKXUWZYECAG-MRXNPFEDSA-N 438.536 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CCCO1 1286821507 NQRYGRKSVAWQFN-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CC)C1 1286824195 WWIBWVDCZCBFPI-KRWDZBQOSA-N 438.525 2.212 30 10 IEEE CC(C)(C)OCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1287081097 ZKTOZVABQHPPSE-GOSISDBHSA-N 425.537 2.190 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1ccco1)N1CCCC1 1288099485 CQQDCBUYVQPUHX-IERDGZPVSA-N 429.500 2.288 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2nccs2)CCOC1 1288320707 CCALNORQGMEIBV-OXQOHEQNSA-N 432.550 2.137 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 1290967287 VNGDYBOALFAVLH-QGZVFWFLSA-N 437.972 2.486 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1292703636 KRBAVQCWQWPDIB-FUHWJXTLSA-N 430.553 2.440 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300630389 SCURDAQWXJJDAA-BGYRXZFFSA-N 435.576 2.475 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1300703622 MWARXJVTBUNFFC-YADARESESA-N 435.576 2.069 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1301270930 QTSHBXIOYJPHDE-QGZVFWFLSA-N 435.532 2.452 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1301289369 CLCHTLCYVHJBKQ-QGZVFWFLSA-N 437.548 2.453 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)c2nccs2)CCOC1 1303503511 CMCXDHUCRPPPLR-TWOQFEAHSA-N 432.550 2.308 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1305664785 FPOCNEHFRZEBPU-XLIONFOSSA-N 434.541 2.201 30 10 IEEE CC(=O)N[C@@H](CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F 1306892398 DROBBGKFWGZCRE-IBGZPJMESA-N 445.422 2.436 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C2 1308131878 LXWQHFDDULDIJD-UHFFFAOYSA-N 426.470 2.195 30 10 IEEE COCC[C@@](C)(O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1315982415 VHJJDGDQSOMGMY-FGZHOGPDSA-N 435.569 2.236 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1347754091 UWNRXMOWFQTOLW-OAHLLOKOSA-N 448.372 2.297 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1358914710 DOFGVHTUWAMBCQ-IBGZPJMESA-N 440.573 2.334 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1358948395 BOCNAFIVZZTSNM-AWEZNQCLSA-N 428.436 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCC1(O)CCOCC1 1358970923 ATXPGSGGPXRPOG-UHFFFAOYSA-N 432.322 2.040 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1cccn(CC)c1=O 1359025645 UXHWURBVSFQTJT-UHFFFAOYSA-N 441.482 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(Cl)cn2)CC1 1359035129 LVBTVPSDOWOHMD-SFHVURJKSA-N 430.940 2.402 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)SC)CC1 1359041667 DXFJSSZNBJJZBX-QFIPXVFZSA-N 449.621 2.038 30 10 IEEE C=C(C)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359124706 ADMPQJAYKXJRPF-JTAQYXEDSA-N 433.597 2.442 30 10 IEEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1359346925 ZQHHEYZFOBBDLI-HNNXBMFYSA-N 436.582 2.206 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359454965 AZNMUIWTEKXVJT-HXOBKFHXSA-N 438.532 2.117 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1359474255 PGYIFKYRSNTDTR-NXHRZFHOSA-N 428.562 2.291 30 10 IEEE Cc1cc(Br)c(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 1437822238 YKRBLLXZIARJGD-UHFFFAOYSA-N 428.333 2.174 30 10 IEEE COC(=O)C1([C@]2(O)CCCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CCC1 1456398478 RLDAOMCEOARBRM-DEOSSOPVSA-N 448.560 2.334 30 10 IEEE COc1cc(CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OCC(F)(F)F 1464923870 ZNHCYVUVWZYDEI-VHEBQXMUSA-N 441.406 2.212 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1467993028 WSKCRWJRMBTGQL-OAHLLOKOSA-N 434.290 2.107 30 10 IEEE CNC(=O)[C@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)Cc1ccc(OC)c(F)c1 1470081779 DZOMJWWRFDASJQ-KRWDZBQOSA-N 428.464 2.119 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)[C@H]2CCC[C@H]2C#N)CC1 1471051710 UQEKCACJVOQLHX-WMZOPIPTSA-N 434.518 2.455 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)cc1 1471716951 WUHZKDQTRSTJSZ-UHFFFAOYSA-N 432.811 2.220 30 10 IEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1472148925 MWECQWKTNVNANA-HXUWFJFHSA-N 427.526 2.107 30 10 IEEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc21 1474803337 DCGAKNLMLPPCKV-MRXNPFEDSA-N 439.541 2.324 30 10 IEEE CCOc1ccccc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1502895943 DDBXDFLHHYJRCU-FUHWJXTLSA-N 431.562 2.417 30 10 IEEE COc1ccc(Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)cn1 1504281221 CECDOHIEABUFPH-KRWDZBQOSA-N 436.472 2.046 30 10 IEEE CSCCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505251190 LCFIDPSNGIACQM-UHFFFAOYSA-N 441.561 2.079 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507557018 GVRXAIRJRVEUHY-IBGZPJMESA-N 445.571 2.409 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507620505 GWOBVDSNLJPVCI-GOSISDBHSA-N 437.466 2.232 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2cnn(C)c2)CC1 1507719815 BKFRAZBEWNKBBR-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](CCC)OC)CC1 1507722707 FZFXMUNGKVFCKG-IBGZPJMESA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCc2nc(C)no2)CC1 1507731748 CDPXGFKCHRGSOP-UHFFFAOYSA-N 449.559 2.499 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507856609 CMDHVUINRMVJTO-JKSUJKDBSA-N 446.943 2.131 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507867114 HEXRSQHNRASPNY-INIZCTEOSA-N 439.969 2.148 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCc1n[nH]c(C)n1 1508000131 RZKNEPFQVRDULU-UHFFFAOYSA-N 426.488 2.469 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CCC 1508087008 AHQCNUVLPCMODQ-KRWDZBQOSA-N 426.569 2.379 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1508097260 GZXCXCJEWLBIMB-RDTXWAMCSA-N 431.459 2.011 30 10 IEEE C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510056018 ODHJDYAURWZRSN-OAHLLOKOSA-N 435.507 2.493 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1516877356 DKVZYFRPEBCGES-YVGXBJCXSA-N 431.562 2.359 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C#N)c(Cl)n1)c1ccc(S(C)(=O)=O)cc1 1524784152 LRISBQYYZMQGKU-IBGZPJMESA-N 435.889 2.218 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc1 1527057464 LUKLYCOITCGNLX-UHFFFAOYSA-N 438.509 2.356 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1532777563 WKZXXYQBDQMLGU-CABCVRRESA-N 435.329 2.088 30 10 IEEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1537924114 SDBWEWXLRCMNHP-UHFFFAOYSA-N 435.527 2.332 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1cc(F)ccc1N1CCOCC1 1538972220 JUSPNJXVWKQPBN-MSOLQXFVSA-N 445.539 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539318276 OWXJXZOLVSGKTB-UXHICEINSA-N 429.590 2.213 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCSC2)n1 1539423696 CVIBGRHWGTWBRY-MSOLQXFVSA-N 430.578 2.018 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539436168 LZUZEIDCVOUOFY-UHFFFAOYSA-N 447.992 2.321 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cn(CCCCC)nc2C)CC1 1539446624 HJPOTGSVYOCQDB-HXUWFJFHSA-N 425.581 2.281 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539525378 YLVVCWIVVZXRKW-SFHVURJKSA-N 443.602 2.312 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1539563260 ITTDVERZJCOXPQ-JOCHJYFZSA-N 440.573 2.234 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539705102 OYKMNFHISCEPQL-PCCBWWKXSA-N 444.624 2.375 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)CC 1540191166 FNVLWTBAZWOFSL-UHFFFAOYSA-N 425.331 2.153 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)CCS(C)(=O)=O 1540865569 LAVDPPVOBJRFBE-UHFFFAOYSA-N 447.605 2.416 30 10 IEEE Cc1nccn1CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1542981238 BVOYFAPVTOGEJE-QGZVFWFLSA-N 434.552 2.059 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1544084340 KHVUVBDLIYZVLJ-FQEVSTJZSA-N 440.544 2.246 30 10 IEEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccc(C#N)c(OC)c1 1556504751 KOGZULKAMMQUGX-QAPCUYQASA-N 430.549 2.409 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568508642 RNVSXQPBLNLZPJ-INIZCTEOSA-N 436.459 2.325 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@]12CCCC[C@@H]1NC(=O)C2 1586165188 VGHMGGLEBYSDQF-HNAYVOBHSA-N 436.306 2.416 30 10 IEEE C#CCN(c1nnc(CN2CCCC2=O)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588069691 SLWYQQKTEZFGCD-ADKAHSJRSA-N 447.605 2.024 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCC 1588280977 VHUKQZRYJYMOEC-OAQYLSRUSA-N 433.578 2.206 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595900733 HWXVUIRQTALLEZ-NQIIRXRSSA-N 432.594 2.443 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1597217101 QCKRHJXWHXFGRU-NSHDSACASA-N 449.314 2.421 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1cnnn1C 1602821831 GJODVBSXWGTHNP-UHFFFAOYSA-N 425.928 2.430 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1 1611640238 YSKLHSYBLLTUDI-AWEZNQCLSA-N 431.493 2.390 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1614351640 AYRXLNPJESKNKI-VQIMIIECSA-N 437.548 2.290 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C(C)C 1616485139 COEAXZGQQZYWPF-SFHVURJKSA-N 428.537 2.325 30 10 IEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)C1)S(C)(=O)=O 1618102371 LHKTWDTXOBCHPH-YTQUADARSA-N 446.552 2.455 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CCO1 1619757650 UOCQRUJSWJJOHA-HXUWFJFHSA-N 439.472 2.230 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@]1(C)CN(C)C1=O 1619899957 MOTKQQMHEYOANQ-DEOSSOPVSA-N 447.543 2.287 30 10 IEEE CSCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1620295498 HSQOVMPYSJTQIN-QGZVFWFLSA-N 449.588 2.394 30 10 IEEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 1620358251 HVVYCFYPACCFTP-UHFFFAOYSA-N 427.553 2.047 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cs1)C(N)=O 1624793747 NLOXLVKYFWUDAO-GFCCVEGCSA-N 433.534 2.011 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCc1ccc(OCC#N)cc1 1626725550 CLURBVVSYZECGP-ISWURRPUSA-N 435.402 2.191 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2N2CCCC2)cc1 1627261354 MVZXTFWRMOUHJZ-DHIUTWEWSA-N 437.565 2.480 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)c1ccc(Br)cc1 1629571497 MRUCYSQJVBCTEZ-AWEZNQCLSA-N 444.257 2.387 30 10 IEEE N#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Br)c1 1630699459 YLDZICAKCTZDIR-KRWDZBQOSA-N 437.315 2.139 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F)c1cc[nH]n1 1632609208 HMSKWLHJKVTOKW-GFCCVEGCSA-N 426.395 2.460 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccn4ncc(Br)c34)C2=O)cc1 1634588642 OAWYQAQURHODLX-QGZVFWFLSA-N 438.285 2.499 30 10 IEEE C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1635277148 AURNMRPBBXQMTM-HOVNMXBBSA-N 446.592 2.485 30 10 IEEE CC1=C(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)S(=O)(=O)CCO1 1636463633 LJLSGXHBPXNWPB-HTQZYQBOSA-N 443.312 2.292 30 10 IEEE COc1ccc(C(=O)NCC#C[C@H]2CCCCO2)cc1S(=O)(=O)Cc1cc(C)no1 1637186809 YZWPJMWFPOSHPN-QGZVFWFLSA-N 432.498 2.268 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1637668249 YRLSDZSOTOLNJV-JTQLQIEISA-N 448.199 2.159 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1 1642306391 ZWIZKENBBJVUEW-SAABIXHNSA-N 449.573 2.411 30 10 IEEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 1642915548 CXKBKXUTQCYYPX-HKUYNNGSSA-N 448.589 2.224 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)C1 1645273841 JCJLLNWSXBLFPW-GOSISDBHSA-N 431.492 2.324 30 10 IEEE NS(=O)(=O)CCCCCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645936693 FZCJDYNRXLKWJR-IUCAKERBSA-N 446.360 2.465 30 10 IEEE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1648750151 LDIXDYVITKANNI-VIRABCJISA-N 434.290 2.171 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C)CCC2)c1 1649670989 SMNHHHMRJGYMLV-KRWDZBQOSA-N 444.561 2.114 30 10 IEEE COC(=O)c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1 1654811796 NCLCVMIDORIGSP-UHFFFAOYSA-N 448.435 2.177 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)o2)C1 1665847963 HBRDXFLVNXROMF-UHFFFAOYSA-N 447.513 2.324 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1677218636 XHJYXCBNIQKKJH-GOSISDBHSA-N 428.512 2.069 30 10 IEEE C#CCN(C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1682205357 NLAZUBVUBWALSD-SFHVURJKSA-N 435.546 2.043 30 10 IEEE CC1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC2(CC1)OCCO2 1682226635 NXFRSGCDJUXBGU-IBGZPJMESA-N 426.517 2.282 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1689940726 BJBCGMQSQQJPDP-SJORKVTESA-N 430.553 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCSCC 1690013118 CBAHNYLNXVNZPE-UHFFFAOYSA-N 430.603 2.454 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690188587 LGPTZYAVSLXWGP-FHWLQOOXSA-N 434.606 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc32)nnc1[C@]1(OCC)CCOC1 1690731368 JKIKYJIWLILAHQ-NRFANRHFSA-N 432.546 2.225 30 10 IEEE CCC(CC)[C@H](Cn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1)N1CCOCC1 1694287411 WEZMWBJJGQGFFP-NRFANRHFSA-N 439.564 2.259 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1695435203 GQPOWGXPVLHANQ-OAHLLOKOSA-N 449.481 2.416 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1696891177 SLPJBOKHUKYTPI-GOSISDBHSA-N 432.532 2.316 30 10 IEEE COC[C@H](F)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1697781045 FFAXLSHRVOWQOG-BZUAXINKSA-N 440.520 2.309 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2ccccc2)nc1 1705551085 GDMCHDFRCXOADG-SFHVURJKSA-N 437.525 2.485 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CCC)C1 1705611061 OIKKXIDFRRTEED-GOSISDBHSA-N 443.621 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN(C)CC(F)(F)F)CC1 1705649696 DZQSLRDLNREFNI-UHFFFAOYSA-N 442.530 2.327 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC(=O)N2CCOCC2)CC1 1705772859 XNSWZHQOAJFUMI-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1705848023 CYGUBQVXOPAZGQ-UHFFFAOYSA-N 434.349 2.335 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705896341 JQTJINTYUGUQLH-BBRMVZONSA-N 434.422 2.275 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705898618 RIERHKHYVXDOMK-QHCPKHFHSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705907695 UIEHBKVJSSPQSL-HXUWFJFHSA-N 438.576 2.107 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1705908728 UZXKZXQXOLEUQX-UHFFFAOYSA-N 448.980 2.228 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705937319 QDSLQGBLRVHYBS-GDBMZVCRSA-N 443.495 2.499 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccncc1 1706072386 CHEHOYSINFYZDU-INIZCTEOSA-N 438.561 2.472 30 10 IEEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1707690816 HXNDMWNSWASIGE-XDOYNYLZSA-N 429.484 2.500 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1COCCO1 1708530976 NZSZPXMNXDHMPG-MJGOQNOKSA-N 425.537 2.190 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(C(F)(F)F)c2)C1 1712877169 CORQEIJZEHVLRH-SFHVURJKSA-N 437.401 2.305 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722367003 LMGDZXVFHJLMCB-HQRMLTQVSA-N 446.548 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1722398900 FDTSDJPORXOCNR-OAQYLSRUSA-N 444.514 2.210 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C(C)C)N1CCOCC1 1722408865 VSJYMZDPSOQQRG-LJQANCHMSA-N 425.533 2.490 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(O)c1 1722462012 LIRDCTPGWPUUIW-UHFFFAOYSA-N 429.546 2.118 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722537592 OSNNTKWGKBUNNN-HOIFWPIMSA-N 433.553 2.478 30 10 IEEE C=CCC(C)(C)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1722592850 ADJKJTUWLXSBSO-JLHGSKIFSA-N 433.553 2.467 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1722701205 JKOPOUDQTCISOV-INIZCTEOSA-N 436.516 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1722730231 MCFYPLLWPYIISH-ZWKOTPCHSA-N 435.594 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1722750171 LJERJMQDVHIMLG-NRFANRHFSA-N 432.546 2.171 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CCO1 1730607425 BHZBOAPONPFQRS-VQTJNVASSA-N 441.532 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1740540082 XJUNOSXKJRMOBM-WZONZLPQSA-N 433.597 2.278 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1ccn(-c2ccc(F)cc2)n1 1740637343 ZASBVJKAWPSVEO-UHFFFAOYSA-N 426.459 2.375 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1740657738 WZYRWUYVAKBKKY-REWPJTCUSA-N 449.555 2.222 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)CC1 1740694911 XOQHIDASJRQWBG-JCYILVPMSA-N 438.498 2.353 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCS(C)(=O)=O 1740753302 IAMPLNRAOHXHOE-SJLPKXTDSA-N 449.533 2.315 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740767915 RXSQEYYXUIZJMK-SIKLNZKXSA-N 437.548 2.389 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740833527 RWJXZAOOPMWXCP-WMZOPIPTSA-N 426.583 2.372 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)NC 1740894599 AJSJEJXNZUFUGS-UHFFFAOYSA-N 432.319 2.018 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC[S@](=O)C(C)(C)C)CCOC1 1741127149 YAWRIOPLQFFJTB-NEGSUBRYSA-N 425.599 2.462 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1746471222 BUXWKNMMFOJEOV-QFIPXVFZSA-N 439.495 2.278 30 10 IEEE Cn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCCCCO)c2ccccc2c1=O 1748067429 IMBYQOHVMAYPAJ-UHFFFAOYSA-N 435.532 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1748670816 CIXANUZXPFPAIR-KGLIPLIRSA-N 425.605 2.277 30 10 IEEE COc1ccc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1748732696 GHZBLSQRLYYWCE-DYESRHJHSA-N 447.536 2.264 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)Cc2ccccc2C1 1748825211 RTRIIPVBWNNHSU-UHFFFAOYSA-N 446.599 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCO[C@@H](C)C1 1748831385 NDLMSKAWEKHECH-IBGZPJMESA-N 436.516 2.427 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC(N)=O 1749213219 HNMGYZONCZUTEY-LBPRGKRZSA-N 425.331 2.329 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1749590723 DZNOEBGTDSSDBV-OALUTQOASA-N 447.605 2.493 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC(C)(C)C1 1749668572 AEMPUELEUNHILH-GOSISDBHSA-N 441.532 2.487 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)(F)C(F)F)cs1 1751782313 DQQBCZRYIHJDKA-ZDUSSCGKSA-N 448.446 2.280 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1760144379 NIKTZHFJVZWMSX-SFHVURJKSA-N 437.548 2.388 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760152710 WDKXDPCEHSKGJJ-HNNXBMFYSA-N 442.545 2.267 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2OC)CC1 1760278869 JXVVSEYSNOZAIL-UHFFFAOYSA-N 437.573 2.380 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(N2CCCC2=O)CC1 1760305326 AKJFAMZMTXIPLL-UHFFFAOYSA-N 432.326 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(F)(F)C1 1760550533 AQBMIPPXNDBMPA-UHFFFAOYSA-N 442.488 2.409 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1760559398 GZXQTSFVSKRTRY-MAUKXSAKSA-N 431.628 2.203 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1760569018 AFVAUKFHRZLFPI-SFHVURJKSA-N 429.594 2.260 30 10 IEEE CC(C)NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1761272488 ZWHJXOOVPUXZFY-WOJBJXKFSA-N 438.532 2.146 30 10 IEEE CN(C)CCOc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)cc1 1768511810 CHMCSSYALXIDQB-HXUWFJFHSA-N 435.532 2.185 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(Cl)nc1 1768969975 WLTQIXDHCZJLEL-UHFFFAOYSA-N 430.921 2.394 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1770017264 NRRJHVRVKSOLQS-QFBILLFUSA-N 439.582 2.099 30 10 IEEE C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1C(=O)c2ccccc2S1(=O)=O 1849789225 BUFJIIQKKSITIM-OAHLLOKOSA-N 439.493 2.161 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](c2cccc(F)c2)N2Cc3ccccc3C2=O)NC1=O 1851146489 IUJUHOHAVOTNII-LJQANCHMSA-N 448.454 2.234 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)Cn3cc(-c4ccc(F)cc4)cn3)CC2)nc1 1851726918 ODYPJMBTHYFGMO-UHFFFAOYSA-N 434.475 2.321 30 10 IEEE C[C@@H]1C[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)C1 1851771985 AYVPZCTVWYWLBY-IEBWSBKVSA-N 443.548 2.264 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)C[C@@H]2COc3ccccc3O2)cc1 1852771930 BRHNREGFVVLEBI-NHCUHLMSSA-N 438.480 2.411 30 10 IEEE COc1cc(Br)c(CC(=O)N2CCN(c3nccc(C#N)n3)CC2)cc1OC 1852894477 LNCILTCPVKRFOC-UHFFFAOYSA-N 446.305 2.019 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)C1 1854881045 ACEQGEDRSSIMQO-HIFRSBDPSA-N 428.386 2.214 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(C[C@H]3COCCO3)C3(CCCC3)C2=O)c1 1855610199 UOKHHOBGIJERRM-KRWDZBQOSA-N 431.920 2.419 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C2=O)CC1 1857338410 CNDKOGXNWYPCNQ-SJLPKXTDSA-N 432.908 2.269 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(CC)c2)cc1 1859012539 IRSIARXIDVKEPV-UHFFFAOYSA-N 444.509 2.035 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)cc1 1862747102 MZXXMNPQUZYFFT-SFHVURJKSA-N 425.397 2.015 30 10 IEEE Cc1ccccc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1866867705 QUCCYLASQJTJGM-OALUTQOASA-N 426.542 2.449 30 10 IEEE CCCC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1867237705 OTRGQEMGEMHCOI-IBGZPJMESA-N 428.514 2.441 30 10 IEEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(CC)CC1 1868796928 YXQFAPDOHISXTB-VQTJNVASSA-N 445.633 2.474 30 10 IEEE Cc1nc(C)c(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)s1 1870111521 RGBLZSORYCYCIK-UHFFFAOYSA-N 441.429 2.298 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(N(C)C)cc1 1870983273 PUIISEZCAQANOG-OAQYLSRUSA-N 440.544 2.386 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689130 SHDPTNSPRRNOOQ-QGZVFWFLSA-N 426.521 2.246 30 10 IEEE C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872597268 NIAMKFPECGKQOB-LJQANCHMSA-N 428.470 2.268 30 10 IEEE C=CCn1c(C(=O)NCc2ccccc2F)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595644 LREDZCJVIGMGTP-UHFFFAOYSA-N 436.491 2.355 30 10 IEEE COc1ccc(Cc2nnc(SCCO)n2/N=C/c2ccc(O)cc2O)cc1OC 1874240045 MUTWCNVJNCSZPK-CIAFOILYSA-N 430.486 2.264 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc[nH]1 1874431361 QEOYWZVPHPARKH-AUEPDCJTSA-N 425.518 2.472 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccc(N(C)C)n4)CC3)n[nH]2)c1C 1889922452 MFDVJTNVLARSMT-UHFFFAOYSA-N 449.563 2.285 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2009848534 CEWAYOMWZRPMHW-QKKBWIMNSA-N 441.525 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]12 2060637044 FZQVBITVSRZCPF-PXIJXODZSA-N 430.314 2.018 30 10 IEEE CN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164485807 CFJFRVRJUHLMLI-NRFANRHFSA-N 429.473 2.344 30 10 IEEE CCc1nn(C)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 2194933340 XRRGCFZYEMTFBG-GXTWGEPZSA-N 441.374 2.190 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2214618910 KQQMIRCQCUYRNN-YYIAUSFCSA-N 439.553 2.142 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247832021 IGLPGVJLWAKPOD-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE COC[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2248442908 VEZVDQBDIPOFPN-GFCCVEGCSA-N 441.359 2.311 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C2COC2)C2CN(C(=O)OC(C)(C)C)C2)C1 2255156774 RTYGMSSYSYSDIH-UHFFFAOYSA-N 449.548 2.140 30 10 IEEE COc1ccc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255599145 WDDJCIWFUDJYLW-IAGOWNOFSA-N 432.326 2.390 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255706821 OMUGZUGUBXTVEX-NWDGAFQWSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255807812 BDZJJSPAWJHUQG-SHTZXODSSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2255838337 DQJPOJRWMSPIAU-MELADBBJSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCc1cnc(B3OC(C)(C)C(C)(C)O3)s1)C2 2256615920 YJZNBNVLJREFDP-UHFFFAOYSA-N 449.382 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267108101 SQGYASYWBSDZTO-JKSUJKDBSA-N 446.353 2.086 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267492897 DXUJFTZXHBORMY-IBGZPJMESA-N 438.381 2.422 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267528617 GDPATEAUPRXOQL-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268791090 XGEBHAYGKMVSEH-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE Cc1cc(Br)cc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1N 2286929908 CDQZOTQNSNVYAS-UHFFFAOYSA-N 439.144 2.165 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1 2296625770 AMXZOFBSVJWCMC-HXUWFJFHSA-N 426.517 2.419 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335449619 BTDNUCSTRNEKEH-HZPDHXFCSA-N 445.379 2.327 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nc2sccc2c1=O 10494802 UBMLFJKSFUHSMJ-OAHLLOKOSA-N 436.603 2.209 30 10 IEEE CC(=O)Nc1ccc(/C(C)=N\OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 40037576 OSSKRYQXWBNZAH-UCQKPKSFSA-N 432.502 2.275 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)cc1 102690124 WPEHRIYYUULCFZ-SADKCHQCSA-N 437.496 2.234 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N/N=C2\C=C([N+](=O)[O-])c3cccnc3C2=O)cc1 103408105 GTQWHLAFGRLPHL-CJLVFECKSA-N 429.458 2.394 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)c1 303542345 UQEDUDAMYMNDCQ-KRWDZBQOSA-N 447.507 2.271 30 10 IEEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 438739854 MKPNHNAYAVDYFL-UHFFFAOYSA-N 440.481 2.196 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 444725395 GRGDXIJZYILQSY-ILZDJORESA-N 442.457 2.170 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cn1 461292172 OHBQSLHBOAIZCA-QGZVFWFLSA-N 436.497 2.178 30 10 IEEE CCOc1ccc(C(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OCC 461747795 ILDNKSSAQDPWGQ-UHFFFAOYSA-N 434.456 2.305 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 478845948 PZBYIGBJTPXQIR-LJQANCHMSA-N 441.512 2.269 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2cc(OC)cc(C)n2)c1=O 527030637 XAVHHAZBIRRDFL-UHFFFAOYSA-N 443.569 2.167 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 532894149 QRYHMEKMQGILDE-XMMPIXPASA-N 438.597 2.142 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1c(C)nn(-c2ccc(F)cc2)c1C 537310044 CQSWRUBCPABPEG-AUUYWEPGSA-N 439.451 2.073 30 10 IEEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2C)n1 546875471 VVFMLMYACBEFBK-UHFFFAOYSA-N 430.516 2.054 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C1CC1)C1(C#N)CCC1 564153137 ULFBDOGBZSTEJZ-UHFFFAOYSA-N 446.573 2.072 30 10 IEEE Cc1nn(Cc2ccc(F)cc2)c2n[nH]c(NC(=O)CNC(=O)c3ccc(C#N)cc3)c12 608889814 HWBLOHBDAFXURY-UHFFFAOYSA-N 431.431 2.495 30 10 IEEE CN(C)CCOc1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 609086850 DVVACBXKHAAIRX-UHFFFAOYSA-N 432.427 2.355 30 10 IEEE COCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccc(C#N)cc1 610209204 MXLUFMBMEZQHDP-UHFFFAOYSA-N 443.525 2.181 30 10 IEEE C[C@@](CNC(=O)c1ccn(C(F)F)n1)(NC(=O)c1ccn(C(F)F)n1)C(F)(F)F 671225686 IBFNTXLRUIAWRR-ZDUSSCGKSA-N 430.284 2.351 30 10 IEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCCN(Cc2noc(C)n2)CC1 685549832 LPAMSHJMYOBNQP-UHFFFAOYSA-N 439.520 2.455 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416330 KZPOLLKUARTMGG-UHFFFAOYSA-N 436.489 2.381 30 10 IEEE C[C@@H](OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(=O)N(C)CCC#N 729173947 HHDGCHAUUFPJLG-UZLBHIALSA-N 433.464 2.198 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCN1C1CC1 732648834 IYWXHPNVUGEKLL-MRXNPFEDSA-N 436.965 2.327 30 10 IEEE Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732702535 WCYHIMJLCBWICT-MRXNPFEDSA-N 434.338 2.468 30 10 IEEE CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732893367 DIUXZLZSJOKZPF-CQSZACIVSA-N 432.546 2.360 30 10 IEEE Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCCCC1 734601862 MZXMPFCMHVWOOW-UHFFFAOYSA-N 442.497 2.232 30 10 IEEE CSCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 735969505 LOSBQZXYOAUUFU-KRWDZBQOSA-N 433.603 2.311 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 742278486 JUPJOPVMUWZUKP-CQSZACIVSA-N 443.493 2.295 30 10 IEEE COc1ccc(C[C@H](C)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 742646545 OZASNBYWPDLAGR-GJZGRUSLSA-N 445.541 2.268 30 10 IEEE C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C#N)c1 744898785 DYVKXYYCSWBLND-CJNGLKHVSA-N 433.511 2.343 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OCC)c2ccccc2C)c1 752684083 DEHSOBPBCUROIG-FQEVSTJZSA-N 428.510 2.331 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CCCCC1 760405278 ZCMLICTZKSJYKV-UHFFFAOYSA-N 447.538 2.269 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H](C)n1c(C)cc(O)cc1=O 764013794 DHPUMFISTFVNAC-HZPDHXFCSA-N 427.457 2.311 30 10 IEEE C#CCN(C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3)[C@@H]1CCS(=O)(=O)C1 774047874 HDFVPCDTIWFISC-SECBINFHSA-N 429.426 2.272 30 10 IEEE C#CCN(C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@@H]1CCS(=O)(=O)C1 774048198 KHQISMJPCWGJOV-MRXNPFEDSA-N 430.486 2.180 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 780174827 FADREHQCPDEJGE-QFIPXVFZSA-N 433.480 2.279 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780857125 WDPMYAQYJKIBQU-OAQYLSRUSA-N 441.553 2.422 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCN(c3ncccc3C#N)CC2)cs1 792893463 BOKFVIVJYPIDRV-UHFFFAOYSA-N 442.545 2.439 30 10 IEEE Cc1oc(NC(=O)COC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c(C#N)c1C 796421968 DWYCSOOBZOYEAQ-HNAYVOBHSA-N 441.488 2.372 30 10 IEEE COCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 802392335 IVSWETUEDILWRI-UHFFFAOYSA-N 433.516 2.405 30 10 IEEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CC)c3)n2)s1 1084409247 HRZSIKBYTBXQEJ-UHFFFAOYSA-N 438.568 2.161 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)OCC 1132417999 KCIKYURIXMLTBF-FZMZJTMJSA-N 427.816 2.277 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 1146845644 IJIKIBNOHQTZPU-MAUKXSAKSA-N 435.509 2.184 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)s1 1155145021 JHGQRRCOEQSIQH-UHFFFAOYSA-N 446.558 2.040 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(C4(O)CCOCC4)CC3)C2)C1 1155961006 RKYDGNHTIFWOMA-BATSVXPKSA-N 433.549 2.211 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1234024572 URNLJYLMOBWWAP-KRWDZBQOSA-N 431.493 2.199 30 10 IEEE N#CCCC[C@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccccc1 1251458405 CDYBLLPYHJGTEC-IBGZPJMESA-N 431.518 2.267 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1286321719 ABLMNFGCOHPBCB-CTWPCTMYSA-N 437.610 2.429 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1CCNS(=O)(=O)c1ccc(C)s1 1286379444 RUBKOONOAMHNNN-UHFFFAOYSA-N 443.598 2.481 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1286392450 MEWHHWMBMGNMRW-IBGZPJMESA-N 449.536 2.203 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1286393346 DOLYNAREJUURQR-HOCLYGCPSA-N 437.591 2.010 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1286437139 IHPJBIKDDUQMPX-HSZRJFAPSA-N 443.523 2.347 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1286593601 NFWZUTNMOLKZTM-HZPDHXFCSA-N 428.541 2.195 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1 1286773794 SEGVDBXNKACFIQ-HOCLYGCPSA-N 439.607 2.388 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286818519 XNTWCSNBFYUINT-UHFFFAOYSA-N 438.623 2.402 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1288526622 WYYBGMNBJMQLRV-QAPCUYQASA-N 429.546 2.040 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3sccc3C2)n1Cc1ccc(C#N)o1 1288836490 SQXSOFHVEYDFNH-GFCCVEGCSA-N 432.531 2.025 30 10 IEEE CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1295076973 ZXJOUJCHYZXMEP-RTWAWAEBSA-N 429.528 2.486 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1300502375 SCMXVOITPPNLDY-LJQANCHMSA-N 427.574 2.389 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN1CCC(O)CC1 1300512485 QKNYQRAQSSXVKL-IBGZPJMESA-N 439.535 2.477 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1300649294 KIDXHRRKMHKYGR-QUCCMNQESA-N 444.532 2.304 30 10 IEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnccn1 1300756144 GOHIFPFNRFFXQK-UHFFFAOYSA-N 432.513 2.387 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1300876434 STJLQJZCNPPXGL-OALUTQOASA-N 446.596 2.092 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300985662 UDLGUHVHFMANJR-AOMKIAJQSA-N 440.504 2.042 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)c1ccccc1 1301004168 UMQAWFSUEDHQEI-YSIASYRMSA-N 425.533 2.430 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1301295788 AHMUVNJTKFAHGT-KRWDZBQOSA-N 437.591 2.026 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1301420999 MZYBERICXHADEI-QFIPXVFZSA-N 444.605 2.187 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301499627 CRXWKBGENWVJBP-FQEVSTJZSA-N 438.576 2.418 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccco1)N1CCCC1 1301970559 GSPOBPRQEISHQI-ROUUACIJSA-N 425.537 2.426 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC1CC1 1303627868 PIUGBFAQCWYCPS-GFCCVEGCSA-N 434.342 2.311 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)c1 1309585718 VSOFBHNTZUOSHP-RTWAWAEBSA-N 428.510 2.123 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C[C@@H]1C 1315129445 DNBHBGDNIAVIMT-KRWDZBQOSA-N 442.520 2.168 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(C)(C)O 1316198781 NFXWMUVLQONYFI-GOSISDBHSA-N 442.564 2.361 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1358960893 NPKRCDYVHXVVKE-QGZVFWFLSA-N 429.571 2.329 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)CCOC 1359016172 SDUODUIFELRGGE-QFIPXVFZSA-N 426.496 2.245 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1359024456 NLXZYIUCNXOAHV-MSOLQXFVSA-N 435.569 2.417 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1359071728 AQKOSSWGRRZWSD-HTAPYJJXSA-N 442.589 2.121 30 10 IEEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359718135 TVAJSGDEFKVWEE-XLIONFOSSA-N 439.539 2.061 30 10 IEEE C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1447787267 VNKFQLCYHVGNGT-RXOIRPBWSA-N 442.564 2.308 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1 1452417322 JRAKLIWSHSKYAZ-FGZHOGPDSA-N 426.538 2.196 30 10 IEEE CC(C)CS(=O)(=O)CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1452951614 GWGNIHJKMNOIIS-UHFFFAOYSA-N 429.546 2.058 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1=O 1461653185 SAMGDKVVHWQBKX-QHCPKHFHSA-N 432.480 2.147 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OCC 1464381108 IQERMKDVODRIAF-CQSZACIVSA-N 448.335 2.341 30 10 IEEE Cc1cc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)ncc1C#N 1467106665 AGGKGWNPDVBCOM-QGZVFWFLSA-N 429.502 2.041 30 10 IEEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1469871917 IJMSZOYTFHMRGS-LEWJYISDSA-N 425.485 2.382 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 1470708511 IBEGLULQFKWWCZ-MRXNPFEDSA-N 443.552 2.263 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 1471457935 RUAGLJJEXLONOQ-SFHVURJKSA-N 433.553 2.320 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1471937805 SHMXZJZLTAUCSI-UHFFFAOYSA-N 443.481 2.190 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1475629800 YIRDVRAFHKPKOX-RBUKOAKNSA-N 438.546 2.462 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)N1CCN(c2ncccc2C#N)CC1 1479492184 SUEZKJYBOABDHF-SQNIBIBYSA-N 426.521 2.325 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1499986190 CIFXVJRPARWCSW-FXAWDEMLSA-N 440.548 2.221 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1503530277 IVHXXMHLYWRYQY-HTAPYJJXSA-N 441.557 2.159 30 10 IEEE CS(=O)(=O)CC1(Cn2c(Cc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1505126774 HPFFIZOFYIKKRM-FQEVSTJZSA-N 435.500 2.275 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccsc2)c1 1507550658 OCDOLIWFPDPOJD-SFHVURJKSA-N 434.525 2.395 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1507622209 GXIYHDSMUJCGHC-QGZVFWFLSA-N 449.577 2.380 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1507686818 HTRDCHGEISJSEH-UHFFFAOYSA-N 430.516 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1CCOCC1 1507712706 MRCUZWWQWVBJDQ-UHFFFAOYSA-N 436.516 2.497 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(CC)c2)CC1 1507717468 DWCUQVLXJCIOKU-UHFFFAOYSA-N 443.353 2.056 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCNC(=O)C1CCC1 1507796287 AARCWBFZDRKFGN-QUCCMNQESA-N 439.564 2.459 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2cnn(C)n2)CC1 1507887248 AYHDHFJQPKVCNA-UHFFFAOYSA-N 426.550 2.187 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1508077654 PJYMMBCBQRGYLK-QGZVFWFLSA-N 428.537 2.281 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1508995359 FBDSQFKHERZWOM-INIZCTEOSA-N 446.552 2.174 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1510118725 HDMLBJXCZDHFTG-BRWVUGGUSA-N 434.541 2.409 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CCCN1C(=O)OC(C)(C)C 1519915697 HHQZAVNJXWYXLY-KUHUBIRLSA-N 431.455 2.449 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H]1C 1538983278 PQKWNDIROYZLIR-ZWKOTPCHSA-N 444.605 2.138 30 10 IEEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539081513 BOZYVNRMUYDALA-FQEVSTJZSA-N 425.533 2.229 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539219923 GCCMPOSQJVWOSH-PMACEKPBSA-N 433.622 2.437 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1c[nH]nc1C 1539350567 QHFAUFHDKYPNPW-UHFFFAOYSA-N 426.546 2.472 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539533335 OQMCOIXQGFFFNI-ROUUACIJSA-N 449.621 2.063 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1OC 1539567311 VGNNQCYSKCWGNK-GSHUGGBRSA-N 443.573 2.313 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1539627680 KXJLIQQRZMZTOG-APWZRJJASA-N 431.562 2.335 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OCC)CCOC1 1539639967 DFSPKIZFIJQRPL-HFJQGTKSSA-N 449.596 2.262 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2)CC1 1539848991 SIVGHBQWXLHRSQ-FQEVSTJZSA-N 445.589 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOC)C1 1540889184 GWYVSSNCJFBEEQ-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1540907384 VBBHCZDVOGUIAU-INIZCTEOSA-N 437.591 2.174 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1541802117 KVVMWSPLIHEIQT-HNNXBMFYSA-N 429.550 2.114 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1541805236 MEJOOLUXFFFNLI-LPHOPBHVSA-N 435.507 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)c4coc(C#N)c4)CC[C@H]32)CC1 1557020510 NWAPWLSCQMKQKQ-ZWKOTPCHSA-N 443.504 2.159 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)cc1 1557088791 MZEDSAOTPWLUHT-KRWDZBQOSA-N 441.550 2.362 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OC)Oc3cc(F)ccc32)c1 1557321885 VFBRPCDXNMMMJK-LJQANCHMSA-N 431.441 2.204 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC1CN(c2ccncn2)C1 1558014966 BPBMYNUPYSYFJS-FQEVSTJZSA-N 434.500 2.188 30 10 IEEE Cc1ccc(C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)cc1S(=O)(=O)NCC#N 1558135022 HACWZQQUIXOQLP-FQEVSTJZSA-N 428.470 2.004 30 10 IEEE N#Cc1cc(S(=O)(=O)NC2(C(=O)N3CCOCC3)CCCCC2)ccc1C(F)(F)F 1562014970 AIRJIEBOHQRDDY-UHFFFAOYSA-N 445.463 2.417 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCCN(c4ccccc4C#N)CC3)=NO2)C1 1565561244 CCSYIEYJSFVZJA-UHFFFAOYSA-N 439.516 2.363 30 10 IEEE N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1583466330 BMNHKYAQJDDMKA-UHFFFAOYSA-N 429.473 2.311 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O 1583498353 XPSATUAEKOMLOI-QFIPXVFZSA-N 435.488 2.277 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 1585058430 RTAKBWBKUGJAHS-NHCUHLMSSA-N 431.558 2.423 30 10 IEEE C#CCOc1ccccc1CNC(=O)Cn1nc(Br)c(Br)n1 1586247021 KCHQFCJJCKBGQR-UHFFFAOYSA-N 428.084 2.132 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)n1 1586564311 BUVDRHXSWDNOIH-GOSISDBHSA-N 446.301 2.036 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1587783785 XSDUKWDRXDLRCA-MRXNPFEDSA-N 426.487 2.277 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(=O)COC)CC1 1587842257 OFWOVICTZLXQRC-UHFFFAOYSA-N 447.543 2.276 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC 1587856561 NGGRNTHZVGDHIN-QGZVFWFLSA-N 432.546 2.247 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1587932383 RBLKFMFUAYTUAI-UHFFFAOYSA-N 443.573 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588040383 MCKTVBYKHKZIES-LJQANCHMSA-N 445.589 2.349 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(C)C 1588228862 MUHAXSAFSYVSMI-FQEVSTJZSA-N 440.569 2.479 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1588550838 ZFRSMXFZPWSIGZ-RBUKOAKNSA-N 446.548 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)c2ccccn2)CC1 1588969007 UJXINEZWKNZJGK-LJQANCHMSA-N 436.560 2.468 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC(=O)N1 1589599505 HPXFBOOZZKBTDU-MRXNPFEDSA-N 445.593 2.228 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1593833953 HIDVHIRLFRYPJS-LJQANCHMSA-N 438.937 2.097 30 10 IEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1594626572 NAMWHFCTEKQOGP-NQIIRXRSSA-N 441.532 2.488 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1595585558 ZYGPNHPZQGWINX-UHFFFAOYSA-N 429.498 2.349 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)CN2CCOCC2)C1 1595713982 JLWCKFNIBBHOGS-QUCCMNQESA-N 426.565 2.398 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1596742019 UEODPNKNQRFJLM-LSDHHAIUSA-N 437.990 2.343 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OCCN1CCOCC1 1597790021 XEGRWQPTWDGCLX-HXUWFJFHSA-N 445.560 2.321 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1598149247 USMKLVZFEUKURQ-GOSISDBHSA-N 449.554 2.308 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N(C)C 1611751518 FURKGQWJACEAPA-CABCVRRESA-N 438.529 2.187 30 10 IEEE Cc1nc(Cc2nnc(N(C)CC3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1612393944 ZZRZKJFOEVDWPO-VXPUYCOJSA-N 441.561 2.397 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612612207 SJHOQAXAMFKOOQ-PXBNPBHZSA-N 442.907 2.344 30 10 IEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)C(C)=O)CC2)no1 1613871131 FZQSPQLJTFIZAQ-UHFFFAOYSA-N 448.531 2.452 30 10 IEEE COC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1619593295 HRLNSFSDFQTLRJ-JLSDUUJJSA-N 435.912 2.462 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc[nH]n1 1625853333 WCEDUVXAAJJKDP-HNNXBMFYSA-N 436.415 2.489 30 10 IEEE C[C@H]1CN([C@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)O1 1627851365 MCAWDCDADKMUFN-OJDXULQISA-N 434.581 2.387 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1CCN(O)C1=O)c1ccc(Br)cc1 1628370467 SONSWXWAVOYDAK-QWHCGFSZSA-N 428.283 2.121 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCOC[C@H]1c1cccc(Br)c1 1632953834 SVBXFTLHNGNUAW-MJWGMMHASA-N 434.290 2.266 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)OC2=O 1635193260 DVTZIKVYJXEKPB-QZTJIDSGSA-N 443.500 2.041 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1636614630 ZEUYKWBCUXBORW-BQFCYCMXSA-N 433.530 2.084 30 10 IEEE COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1639651544 LSQMFIGJWOTTHM-SFHVURJKSA-N 432.542 2.411 30 10 IEEE COc1ccc(-c2nnc(S)n2CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1639989109 JJEOZINDTQGTLU-UHFFFAOYSA-N 426.527 2.343 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4nnc(N)o4)C3)C2)C1 1642473268 STAJBZQAFPHGJM-XVRRPWEDSA-N 430.509 2.145 30 10 IEEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1643226446 BXRMOGIDOLLFHH-HHHXNRCGSA-N 425.459 2.397 30 10 IEEE C#CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CC1 1643513439 YCTCAPWGAFDVQE-UHFFFAOYSA-N 444.578 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC(F)F 1649539796 QTVNDLVRFYNLFK-ZDUSSCGKSA-N 440.520 2.286 30 10 IEEE C#CCOc1ccc(NC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1 1659229823 JZROBNXRAIYSCL-UHFFFAOYSA-N 426.477 2.404 30 10 IEEE COC(=O)[C@H](COC1CCC1)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1662826212 DCUOBHIREZMNNX-AWEZNQCLSA-N 449.298 2.191 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 1683129789 DYRWXGXTUIECAB-YJBOKZPZSA-N 427.501 2.439 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCCOC1 1686929549 LORIJCUOTKMCAN-QHCPKHFHSA-N 428.533 2.182 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC[C@H]1COCCO1 1689973489 DYTRTMMHSUEKJE-KRWDZBQOSA-N 435.322 2.495 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1689988416 OLZOGGSVQOPKRI-SFHVURJKSA-N 445.589 2.480 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1690015105 AOKWKJUIHCXFNM-FCHUYYIVSA-N 446.555 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc([C@@H](C)O)cc2)CC1 1690142161 JJCHBQGYKUHQIY-GOSISDBHSA-N 446.555 2.351 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1COc2ccccc2O1 1690154513 QCIUPPXDJACMGX-INIZCTEOSA-N 429.546 2.059 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690243920 RHSMNDAMTUQRTF-HBFSDRIKSA-N 439.564 2.409 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690351099 HVZIOWRBNSPQTO-HNNXBMFYSA-N 438.985 2.179 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1690442147 NKIYNQFOLYBUAX-AQNXPRMDSA-N 436.560 2.491 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1690699203 BDIGVQCLRZZEHW-GVDBMIGSSA-N 429.487 2.448 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1692467436 GUOGHNIAKFDRNN-FQEVSTJZSA-N 436.564 2.197 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C 1695874445 BACCHLUGIDVKLI-PMACEKPBSA-N 437.592 2.315 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)OC 1698058234 CUKQLGICYGBIFT-CYBMUJFWSA-N 425.331 2.447 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CC=CCC2)c1 1698293848 RRMNEJQZZXDEAM-OAQYLSRUSA-N 444.536 2.052 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705531733 UQMPETWHHABGRH-UHFFFAOYSA-N 435.576 2.196 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1705566128 YPGHMDPIRZNFLS-LJQANCHMSA-N 426.542 2.227 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1705701439 GNJXXZGNZLVNRE-WIYYLYMNSA-N 442.539 2.451 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC)CC1 1705831370 OTWDSUWGIRGQOA-UHFFFAOYSA-N 434.491 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705902717 MDSSBMYCOPKDDQ-BTYIYWSLSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705906898 RZMDCCQCTQPKCW-LJQANCHMSA-N 439.495 2.373 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705912260 FAPOQLFWEDVIIN-UHFFFAOYSA-N 438.576 2.334 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncccc2N(C)C)C1 1705927952 JKOUSXUHTSYIHU-UEXGIBASSA-N 442.564 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705936208 LUNQOUQETBMDPG-MOPGFXCFSA-N 448.593 2.119 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cccs2)n1 1707813888 APXNMJPTEDCYEV-AWEZNQCLSA-N 426.550 2.227 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C1 1710847786 SBQLDULPJLEBPP-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722336665 ODOAQYGCJCFGFP-OKZBNKHCSA-N 442.564 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)no1 1722380816 ZDZIYGRQNZUPAV-UHFFFAOYSA-N 427.468 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cnn(CC)c2)CC1 1722450220 ZWUMTQCULPFOLD-UHFFFAOYSA-N 445.571 2.294 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1722460511 XVBTYLBAOVOHRH-CVEARBPZSA-N 428.649 2.269 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722461099 MBFPVJVKNDIQTB-UZLBHIALSA-N 441.557 2.214 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722742089 HTMHVTYYSWVUBZ-IBGZPJMESA-N 442.589 2.011 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCCC1=O 1723768755 GNJAQUKEBRELNU-KRWDZBQOSA-N 438.536 2.456 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1723769690 MZOQYTXNCCGATI-YJBOKZPZSA-N 446.939 2.405 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1Cc1ccc(C#N)o1 1723933851 QBNDPENFOMVSIT-DOTOQJQBSA-N 440.529 2.395 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1727279818 BYTICDVPKCSULN-TZIWHRDSSA-N 435.532 2.332 30 10 IEEE CN(CCCc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1729512806 GJGUSGABKLJVHK-UHFFFAOYSA-N 445.527 2.140 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC1CC1 1740537579 WICBDKDURIYWCY-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740570019 UJQVHXKKYUTUJW-UHFFFAOYSA-N 432.594 2.385 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1CCOC(C)(C)C1 1740593812 QWINSQGCOIVOCU-UHFFFAOYSA-N 435.576 2.477 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740596992 HWYUBOOCVZAKHX-IAGOWNOFSA-N 444.557 2.353 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740626076 VPXRZOPBTRQKES-SFTDATJTSA-N 442.585 2.117 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CC[C@H](F)C2)n1 1740688390 FPLZFPBITMSXFA-OTWHNJEPSA-N 430.528 2.403 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2OC(F)F)CC1 1740689159 QGIMCUQTJUNZTO-UHFFFAOYSA-N 446.502 2.016 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1740695609 YMLMEWFJJZCYLC-JOCHJYFZSA-N 430.560 2.102 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740767064 MFLLCALJTDKZIL-GKAYAJSDSA-N 447.580 2.002 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C)C1CC1 1740911371 ZWIBIURMAULJCY-KRWDZBQOSA-N 425.599 2.448 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741002467 IRQUEBBFDBAGDX-GOSISDBHSA-N 425.562 2.294 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)OC 1744165025 BEJZSNIICPLCDN-QZTJIDSGSA-N 447.561 2.167 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2CCN(C(=O)OC)CC2)CCOC1 1746646234 DGQRUVFJSHFZHJ-IERDGZPVSA-N 434.541 2.147 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1748785170 MUSXPYFKEFFMOU-KRWDZBQOSA-N 449.559 2.297 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@H]1C 1749022620 LFAZLYPCJJISJI-JKSUJKDBSA-N 433.603 2.378 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749219886 VXLNRYJTRWPDTI-YLJYHZDGSA-N 438.536 2.375 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749260617 CGTZNBZXPVXEKC-MRXNPFEDSA-N 425.942 2.224 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749272340 QYXSHTOOGDQLEU-FUHWJXTLSA-N 432.956 2.384 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1749393463 WNTOWVRQHNEVII-UHFFFAOYSA-N 427.505 2.325 30 10 IEEE COC[C@H]1CCCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749467878 KWNGPJUZNLXUDR-RUNIHZNKSA-N 430.553 2.355 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1749487592 FIMAZWUPOFBKKZ-HZPDHXFCSA-N 439.582 2.202 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1750076913 RREHCDQFWMBVHL-QIJUGHKUSA-N 438.576 2.383 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2ccn(C)n2)CCOC1 1751016977 BBFMAOKHVBSIFO-QFIPXVFZSA-N 427.553 2.425 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)c(F)c2)CCOC1 1751027824 ZIPUBSYYCRMUBJ-KKSFZXQISA-N 433.459 2.374 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1760144106 DDQQWYOKRYCMDJ-GOSISDBHSA-N 444.605 2.401 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](CCC)C1 1760151988 BWZLAHCCSZDTGE-GOSISDBHSA-N 442.564 2.356 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nnn(C)n1 1760212499 WGDQMLOFIISDTE-UHFFFAOYSA-N 443.540 2.412 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccncc1 1760227053 STJCHDSYUPZRBF-UHFFFAOYSA-N 438.557 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1C[C@@H](C)O[C@H](C)C1 1760248871 RXTRGKABTGPJHT-HZPDHXFCSA-N 429.521 2.295 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1760263828 QHKTYTVSSIAEFA-UHFFFAOYSA-N 445.877 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760316032 LKQJGWMTBQJRBA-IRLDBZIGSA-N 430.597 2.092 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1760336702 HEKLJBZWEPWNPH-INIZCTEOSA-N 443.639 2.299 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760449123 BAOMPQMRMSYMEV-KRWDZBQOSA-N 427.505 2.230 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1760490331 UYYXSUXOPOVNQL-NCYKPQTJSA-N 431.581 2.432 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)F)CC1 1760526115 DSADFYXBXZFCLB-UHFFFAOYSA-N 448.518 2.163 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1760563711 AIGWOTLQMBJATA-CQSZACIVSA-N 439.545 2.215 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1766608677 LDBKIQIYXWRYQN-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1766622098 YOGDKNYQJBDDCQ-SFHVURJKSA-N 440.548 2.458 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C)C1)S(C)(=O)=O 1766869287 ZGMPIXICPLHURP-IRXDYDNUSA-N 446.577 2.102 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(C(F)(F)F)n1 1767959279 FKNGTQCOVDCORI-ZDUSSCGKSA-N 426.399 2.036 30 10 IEEE COC1(C(F)(F)Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1769695592 MTWBEUPJNMTHOC-CVEARBPZSA-N 441.479 2.079 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1771272958 ZDRJZJQIPCBMSY-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)O[C@@H]3CC[C@H]3NC(=O)c3cnn(C)c3)n[nH]2)c1C 1849190760 PTZJDXHKRIAXQM-VQIMIIECSA-N 437.504 2.317 30 10 IEEE Cc1ccc2nc(CO[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)cc(=O)n2c1 1851239977 NQKOTDNFRMQACJ-QFIPXVFZSA-N 434.496 2.171 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cn1cccn1 1854554605 LJTVHVATNMTSQE-QGZVFWFLSA-N 428.514 2.118 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cc(F)c(F)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635943 PZIZBNSBSGOFRS-LLVKDONJSA-N 437.399 2.037 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H](F)CC(F)(F)F)C(=O)C3)C2)s1 1856309465 PALLABSTJNDZMU-SWLSCSKDSA-N 432.443 2.155 30 10 IEEE CCCc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856596669 IHCVOEALKCIZMN-LJQANCHMSA-N 433.530 2.094 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 1864329023 JOSPOFWZGWVSTL-MRXNPFEDSA-N 428.489 2.005 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1 1866204111 KCYDVVXFXUYDHH-KXBFYZLASA-N 433.443 2.312 30 10 IEEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(OC)c(OC)c(OC)c1 1869934656 OQBBDMVNKRZGIN-CQSZACIVSA-N 433.486 2.168 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)CC1 1890381265 FDKPWXQJEBEQMS-UHFFFAOYSA-N 439.560 2.320 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 1891730583 PQIIBEAOMKZGAT-ZDUSSCGKSA-N 428.392 2.479 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@H](O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022847751 CTZYRNQRNQRHLF-HOTGVXAUSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073752903 VICBXFXITWWYPJ-QRQCRPRQSA-N 436.358 2.443 30 10 IEEE CC(C)(C#CC(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2216457776 DGMCAKNJWDQFHB-QFIPXVFZSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2224098332 UJJXSBQHJHJJTD-QFIPXVFZSA-N 433.358 2.189 30 10 IEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243416773 NDCYWJCMOQWWSJ-UHFFFAOYSA-N 446.400 2.240 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247836750 HPIITPQHBQFMTM-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(OCc1ccccc1)C1CNC1 2247918735 MWUAVMZRMKJXQG-UHFFFAOYSA-N 429.351 2.297 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248404637 NULSTNQDORAVAW-UHFFFAOYSA-N 440.371 2.205 30 10 IEEE CC1(C)OB(c2sccc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248566455 RZPXPRRNWSLNBF-MRXNPFEDSA-N 431.319 2.447 30 10 IEEE COc1cc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255656953 ILMAIIIXFCYYFM-CVEARBPZSA-N 432.326 2.390 30 10 IEEE CC1(C)OB(c2cscc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255809252 UXVMHLAWXOEKLE-SFHVURJKSA-N 441.406 2.251 30 10 IEEE Cc1nc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256622469 HRNFBUMRDWIKAZ-KBPBESRZSA-N 432.330 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256639443 NILNHBYBVNKOEL-ZDUSSCGKSA-N 449.382 2.316 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C 2267154451 XLTBGRHZZBWHLU-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267164936 YIHPLUJSXQULTC-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267272189 XIACJQVRHNALJE-GASCZTMLSA-N 446.357 2.342 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CCC3(CC2)OCCO3)OC1(C)C 2267715892 FHCHBBCFGBHQLV-UHFFFAOYSA-N 429.369 2.011 30 10 IEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)C1CC2(C1)OCCO2 2295335573 LZTPCLTVJGLTGB-CYBMUJFWSA-N 443.396 2.275 30 10 IEEE C#C[C@H](C)N1CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2300091522 JWRUYLCFNSUGES-FPOVZHCZSA-N 428.577 2.178 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccn1 2325927152 NLVOZOHXLTWKMR-UHFFFAOYSA-N 431.319 2.486 30 10 IEEE COc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)c1OC 2329322862 YKKHDKKUMDVHKY-UHFFFAOYSA-N 441.513 2.472 30 10 IEEE CCOc1cc(C=Nn2c(COC)nnc2SCC(=O)NCc2ccco2)ccc1O 2331570902 JAOLDQJWGWGAMS-UHFFFAOYSA-N 445.501 2.413 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2336375095 GSWRPQDUKWEPQJ-OAHLLOKOSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@@H]21 2341940759 SNGOGYCYFJHQCF-HOTGVXAUSA-N 446.357 2.323 30 10 IEEE CC#CCN(CC(=O)Nc1ncnc2c1nc(Br)n2C)C(=O)OC(C)(C)C 2363059460 BKUPEWPXSPMEKY-UHFFFAOYSA-N 437.298 2.325 30 10 IEEE Cn1nc(Br)c(Br)c1CNS(=O)(=O)CC1(C#N)CCC1 2364441363 SKWZXNFTZGNHNF-UHFFFAOYSA-N 426.134 2.058 30 10 IEEE COC(=O)c1ccc(NC(=S)/N=C(\NCC(OC)OC)Nc2nc(C)cc(C)n2)cc1 14155948 RCLBPRSUAGQJMC-UHFFFAOYSA-N 446.533 2.253 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NC(C)(C)CC)nnc12 19009568 MQHABUDEGZNSBK-UHFFFAOYSA-N 443.529 2.170 30 10 IEEE N#CC1(NC(=O)[C@@H](CS(=O)(=O)CC2CC2)N[C@H](c2ccc(F)cc2)C(F)(F)F)CC1 142004357 NOTSCKFHTQJLMM-HZPDHXFCSA-N 447.454 2.384 30 10 IEEE COC[C@@H](C)N/C(=N/N)Nc1cc(I)ccc1Br 302386504 MQKIINCSLBXJDQ-SSDOTTSWSA-N 427.084 2.320 30 10 IEEE COc1cc(C[C@@H](CO)CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc(OC)c1 462088912 KLPOHUAGDYTBRJ-MRXNPFEDSA-N 436.472 2.129 30 10 IEEE C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 463346293 RTRWMDJSQHFWDM-INIZCTEOSA-N 443.500 2.439 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)o1 471212577 MEWVRIRQBVOWCA-UHFFFAOYSA-N 444.516 2.052 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCN(c2ccccc2)CC1 473293814 ROQAMEAYGAVOJA-KRWDZBQOSA-N 426.542 2.258 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473436697 WPDGQZDCXGEJRR-MRXNPFEDSA-N 438.509 2.167 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(F)c1 478157354 ZIVXWABDRJBCIW-UHFFFAOYSA-N 443.547 2.032 30 10 IEEE C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(S(=O)(=O)N(C)C)c1 481061353 QYUWZUIAVBFMFE-ZDUSSCGKSA-N 425.507 2.128 30 10 IEEE C=C(C)Cn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nnc1-c1ccncc1 481336452 HQVVWNPIULONLM-LJQANCHMSA-N 444.605 2.481 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1 483460234 PKWGFQWCFKVAGC-RSHSIUPBSA-N 427.526 2.003 30 10 IEEE COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 514868223 BXHSWKIVZQXHDF-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 517079424 DIRVXBUCKLTHOD-UHFFFAOYSA-N 440.997 2.435 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc3ccccc3n2)cc1 524094376 SRGPFGPXYMNPEA-UHFFFAOYSA-N 438.509 2.296 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)c1 525265774 JOCKDZSDEYZMET-GOSISDBHSA-N 440.565 2.353 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)c1 540696689 MDTSIUGNLSXVPC-UHFFFAOYSA-N 444.516 2.211 30 10 IEEE Cc1cc(C(=O)NCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 543939828 MXFZKYWGLOLBRM-UHFFFAOYSA-N 435.484 2.308 30 10 IEEE C=CCn1c(Cc2noc(-c3ccc(-c4ccccn4)nc3O)n2)nnc1N1CCOCC1 544258227 WIYIFVTWALCSNX-UHFFFAOYSA-N 446.471 2.104 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)CC2)n1 544880599 ZZABRMWSJJURNH-UHFFFAOYSA-N 447.539 2.432 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 549254297 YNIWQAHKJAUASL-GOSISDBHSA-N 433.459 2.183 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 549279786 NAUHDPUDSYEMLC-MRXNPFEDSA-N 425.580 2.193 30 10 IEEE C#CCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c2ccccc2c1=O 585170935 UIFOIQBNSQEIFQ-GOSISDBHSA-N 428.492 2.316 30 10 IEEE C=CCN(CC=C)C(=O)N1CCC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 585951021 JPNXWGRAIJNGJR-UHFFFAOYSA-N 438.528 2.437 30 10 IEEE CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 590960754 DHCDSHXQPBRKRV-UHFFFAOYSA-N 447.560 2.333 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cc1 607947586 ZQQDHECDGRHFGB-GOSISDBHSA-N 440.565 2.353 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ncccc2OCCCC#N)C1 608868636 BHARBWCIAUDTJS-MRXNPFEDSA-N 447.517 2.408 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 611498556 AQMKSTLUOYYFBG-UHFFFAOYSA-N 440.569 2.066 30 10 IEEE CCCc1c(NC(=O)NCCCN2CCCS2(=O)=O)cnn1-c1cccc(C#N)c1 615270498 DWQZKMPUBZWNJC-UHFFFAOYSA-N 430.534 2.244 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 619817895 OADLWRSZLITILX-UHFFFAOYSA-N 436.541 2.383 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 670216501 LCQLETUVWORFMK-SIKLNZKXSA-N 437.592 2.219 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccc(C#N)cc2F)C1=O 729818130 HMDXOPAHFHXMEH-LECRTAGSSA-N 425.489 2.271 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCOC[C@H]1CCCO1 734296767 VHKCBQLYIVMASE-MJGOQNOKSA-N 442.541 2.354 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(CC)s3)CC2)cc1 737934936 PZMOZKZXXSDGNV-UHFFFAOYSA-N 431.583 2.180 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCCO2)C1=O 741453569 FESWUXOSRNJQSL-ROUUACIJSA-N 436.553 2.394 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2csc(N(C)C)n2)C1=O 747447598 BPNUUEAMMYGRDF-OAHLLOKOSA-N 428.543 2.349 30 10 IEEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 751725491 YPKJOCHJMHSCMJ-MRXNPFEDSA-N 435.484 2.423 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCCO2)c1 756079098 GFSAAKJRCGVUDY-WMZHIEFXSA-N 442.585 2.236 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H](C)n1c(C)cc(O)cc1=O 764013792 DHPUMFISTFVNAC-CVEARBPZSA-N 427.457 2.311 30 10 IEEE COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)nc1 766423928 FKJPHKGKGPAOJV-QGZVFWFLSA-N 447.586 2.351 30 10 IEEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767870864 BRABUVOMPGXNCH-HNNXBMFYSA-N 429.567 2.198 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)[C@@H](O)c1ccc(C#N)cc1)CC2 780932177 KWFDGWXYQWXCAR-QHCPKHFHSA-N 437.496 2.090 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)cc1 781401316 NDEGUUSBWZEXNI-UHFFFAOYSA-N 425.529 2.284 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cscc2Br)c1=O 795197286 KFRLZFFVUGRFHA-UHFFFAOYSA-N 433.352 2.239 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)n(-c2cccc(F)c2)c1C 798745324 HILABSUNFNZKLZ-AWEZNQCLSA-N 435.419 2.311 30 10 IEEE O=C(CC(F)(F)F)Nc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 801884180 DKPSPKBRSKEARO-FOCLMDBBSA-N 425.367 2.225 30 10 IEEE C#CC[C@]1(C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)CCCN1C(=O)OC(C)(C)C 856711602 ZVEPBHIXGLBQBN-DHIUTWEWSA-N 446.548 2.321 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3OC)n2)s1 1084319954 OJRVXNZRZKBRGY-UHFFFAOYSA-N 448.534 2.413 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1125640804 HMRQQHPLDRXKBQ-JOCHJYFZSA-N 432.496 2.372 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)CCc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 1127848848 UKCOBYUFZQJHMA-QGZVFWFLSA-N 432.498 2.430 30 10 IEEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)C(=O)OC(C)(C)C 1135800229 TXHQPGFCHVPMHR-UHFFFAOYSA-N 448.951 2.293 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1)C(=O)OC 1141994943 DBOYBDZQJHNNFM-CVEARBPZSA-N 439.281 2.264 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H](CCO)CC3)nnc12 1161477992 YVJAWNWECMBROB-MRXNPFEDSA-N 441.557 2.333 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@H]2CCCO2)c1 1178557358 MVBGFGWRIVOKDL-YSIASYRMSA-N 433.526 2.056 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273018 NIWVSVXXNCZAQB-OAQYLSRUSA-N 448.479 2.119 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1196073963 NKQTUSKNMKRBTO-GAJTVXKRSA-N 435.493 2.343 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1213276102 FKZRBRVEVSDDQE-OKZBNKHCSA-N 442.603 2.060 30 10 IEEE C#CCN(C(=O)NCCNc1ccc(C#N)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1220596033 ZXCICIZQTBGDML-UHFFFAOYSA-N 426.521 2.409 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCOCC2)C1 1286337310 ZYJPEDSOJBMOHW-UHFFFAOYSA-N 443.573 2.459 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1286365921 NCCHHIYOEBXAJY-UYAOXDASSA-N 443.573 2.246 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc(Cl)c(OC)c(OC)c1 1286397493 ADXKIFKXPORLNG-UHFFFAOYSA-N 429.908 2.208 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCc1nccc(C(F)(F)F)n1 1286459188 LQGMBJJKJOOVDK-UHFFFAOYSA-N 431.422 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)NCC(F)F 1286463783 SYSYDGMREFOBOV-UHFFFAOYSA-N 429.830 2.205 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286609872 SVCMQVXBFWEPGB-NRFANRHFSA-N 440.592 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2ccnn2C)C1 1286784598 NAKABZGIHKYOCY-KRWDZBQOSA-N 435.532 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286784939 ZEHKDQFKXKYHGU-QGZVFWFLSA-N 444.967 2.059 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1286787050 BHPKLQGETQVMQV-OALUTQOASA-N 443.573 2.132 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1287758958 FPZDLUQQEKFJQF-LJQANCHMSA-N 442.589 2.029 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1288517068 IENRWRSCMODIQJ-KBPBESRZSA-N 443.458 2.355 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC(O)CC2)c1 1290062644 CKIOEVHBNUCSQK-HSZRJFAPSA-N 442.539 2.454 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1293216753 DCCNCNACJBHROV-HNNXBMFYSA-N 444.293 2.263 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1cnn(C)c1 1297274902 HIUFSQRJBDOXLE-UHFFFAOYSA-N 440.939 2.448 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCCC2)CC1 1299277474 CKEGEQUWMGYGCT-UHFFFAOYSA-N 437.548 2.363 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1300419422 LHBCIXNHSQXDDZ-RTBURBONSA-N 428.581 2.335 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300482179 DNDFUUYPEQFNEE-WMZOPIPTSA-N 433.578 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCO[C@@H]1CCOC1 1300577860 DFLLKSGXAMOAQL-DENIHFKCSA-N 436.512 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC2(C1)OCCO2 1300656641 LJAUKRFLZJFUML-KRWDZBQOSA-N 441.488 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1300809280 WDOVGYFPABWPTC-HTAPYJJXSA-N 442.470 2.127 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](NC(C)=O)C1 1300870446 SLVPCLIGUAZOAW-RNQOJCNYSA-N 435.569 2.088 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 1301223521 XFGDEQLQGNFHAW-IBGZPJMESA-N 449.577 2.222 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C[C@@H](C)O1 1301404700 FTWFHDRFAHLLJD-OXQOHEQNSA-N 438.488 2.314 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCN(C)C1 1301412516 CLSYFDNNDYAPLK-HSZRJFAPSA-N 439.564 2.034 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1301492470 IWBSZWWXOKLULT-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCC2)CCO1 1301912287 MHHKPCKADXSCDA-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE N#Cc1cn(CCNC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c(=O)nc1O 1310491475 ADVNNDTVCBNMCY-UHFFFAOYSA-N 434.243 2.135 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)C1 1316249772 AXKZIBSLWOLSPJ-WZONZLPQSA-N 425.533 2.467 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)N1CCOCC1 1358880135 FPCIVSQZOYAPKC-OAHLLOKOSA-N 431.924 2.314 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1358963088 BLYWBPKFUYOALB-RTWAWAEBSA-N 444.601 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1358976338 AIFJMIXFEKFPQF-KRWDZBQOSA-N 445.527 2.219 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOc2cccc(OC)c2)CC1 1359036696 FPJZDAAXMSGAQH-UHFFFAOYSA-N 446.555 2.497 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCC[C@@H]2C)CC1 1359046488 TWZZOVLTVIGAIX-SFHVURJKSA-N 440.617 2.381 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1359054807 IOZDOOVZPZXCSP-GDLZYMKVSA-N 426.571 2.475 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnccn2)CC1 1359219629 XVQZLHFGYOMAMC-UHFFFAOYSA-N 438.561 2.352 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1359298431 ZGHRAWCYEYBREA-IBGZPJMESA-N 447.543 2.366 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](COc2ccccc2)C1 1359299393 DFZXOMNVTPLQKD-RBUKOAKNSA-N 425.533 2.380 30 10 IEEE CC(C)(C)OC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359581524 BRNUVRPOIYTZRK-ZZEZOPTASA-N 428.537 2.466 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1 1443248415 CMMWZNDKSVZANF-INIZCTEOSA-N 431.514 2.305 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@]3(C(=O)OC(C)(C)C)CCOC3)C2)C1 1452948784 ATQUHRMKJMMSFR-HIBXPTBYSA-N 449.548 2.390 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCCc2ccccc21 1456271077 WQJGIUDYTKWDPR-JOCHJYFZSA-N 439.537 2.463 30 10 IEEE CCN(CCC#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1460969713 CUGVHSSQARQXOI-UHFFFAOYSA-N 439.557 2.453 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCCS(C)(=O)=O 1461049267 CHSNOELXFWIFQI-UHFFFAOYSA-N 433.324 2.039 30 10 IEEE COC(=O)CSCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1464930131 XKEOQFCLQYFJIQ-SFHVURJKSA-N 433.530 2.415 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1467524798 WJJBJTGMVIGLBG-CVEARBPZSA-N 434.541 2.207 30 10 IEEE Cc1ccc(C(=O)NCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 1469884792 HKFZNMPMCHMSMW-UHFFFAOYSA-N 434.525 2.397 30 10 IEEE CN1[C@H]2CC[C@H]1CC(NC(=O)NCCCc1nn(-c3ccc(F)cc3)c(N)c1C#N)C2 1470198472 PKYPQWWXWAGIGX-ROUUACIJSA-N 425.512 2.322 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 1470447977 PHHUTKAPFCHBAJ-UHFFFAOYSA-N 431.489 2.014 30 10 IEEE CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)COc1ccc(C#N)c(Br)c1 1471799446 LZRUBUGJHGTPCB-AWEZNQCLSA-N 448.277 2.358 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)C1=O 1473868022 FAROEMVSZVGOFA-XJKCOSOUSA-N 433.477 2.167 30 10 IEEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1505260787 ASLLXMZKQXBFPQ-QGZVFWFLSA-N 443.552 2.320 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(-c4cccnc4)n3CCOCC(F)F)CC2)c1 1505320408 YOSOOGLHEPHTCX-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C#CCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507600001 WESIWEAWICDKFG-DEOSSOPVSA-N 445.608 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC(=O)NC1CCCCC1 1507655996 RVTREGXNNOSWME-UHFFFAOYSA-N 435.528 2.387 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1507833468 VMZNQPJNYPWUEN-UHFFFAOYSA-N 444.502 2.068 30 10 IEEE Cc1ccccc1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1511346445 DSPDIBPEXMGPOC-OXQOHEQNSA-N 433.509 2.010 30 10 IEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512352704 DBCVGCUFBZKWLX-OPYAIIAOSA-N 449.559 2.433 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1515972453 JRFBJOAWUNRSSV-JOCHJYFZSA-N 432.569 2.221 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1516004949 BYKMUKBRPBDSMX-UZUQRXQVSA-N 437.548 2.219 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517887446 OQTSJOXWRZTJNJ-YBQMXPOVSA-N 436.516 2.477 30 10 IEEE COc1ccc(CCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)cc1 1518195443 AIMBIBXRRXVXLC-FUHWJXTLSA-N 431.562 2.245 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC1([S@](C)=O)CCC1 1519423291 CMWLEFXOJBOJLM-WGGUYMNQSA-N 435.594 2.433 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSC(C)C)CC1 1539490441 VFRDGASZNVZJLX-OALUTQOASA-N 449.621 2.110 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1539625115 ZCPWUKMNJNXDDM-TZIWHRDSSA-N 425.533 2.221 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1539650206 LWZYYEHVFUKISK-CYBMUJFWSA-N 435.579 2.344 30 10 IEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1539982530 XTNBGGHTTGBSSH-UHFFFAOYSA-N 437.342 2.297 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540510726 HKXLGKGCHDQVFO-RDJZCZTQSA-N 445.520 2.002 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1 1540875718 WARGUGIAVNGNDE-UHFFFAOYSA-N 429.496 2.448 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(CC)n2)C1 1540892946 UOJPKMIPOMWNGX-GDBMZVCRSA-N 437.591 2.029 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1541115706 DGKCBZRTLRQCEP-SJLPKXTDSA-N 448.568 2.404 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncc(C(F)(F)F)s3)CC2)cc1 1543121319 HYECOMYYEVMUST-UHFFFAOYSA-N 430.433 2.180 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1554304588 AWDRDSIXTIZWBS-UHFFFAOYSA-N 448.936 2.021 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1554429341 KFQSEVYOMGIHNO-MOPGFXCFSA-N 438.532 2.118 30 10 IEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1558464838 OYYLSFBOIYEXFA-WMZOPIPTSA-N 442.541 2.475 30 10 IEEE COC(=O)[C@@H](c1ccc(C#N)cc1)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1559932453 HXVHOIGNYCSUMD-XUVXKRRUSA-N 439.516 2.499 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)CC1 1562098706 XRROWQFAHMDJCA-UHFFFAOYSA-N 437.562 2.498 30 10 IEEE CN1CCN(c2ncc(Br)cc2NC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 1569120476 MSJNNYZPHUVEJO-QGZVFWFLSA-N 430.306 2.140 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)c(O)c1 1583958076 XNBUEHNXIYBIBJ-DZGCQCFKSA-N 441.406 2.257 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CCCCS2(=O)=O)c1 1587690072 YKSJPDFVBNMITM-LJQANCHMSA-N 441.557 2.179 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1588049617 JODQLYVCNPTVNE-MRXNPFEDSA-N 441.557 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCC(F)(F)F 1588120686 QXJYUBDGXIGDND-UHFFFAOYSA-N 428.418 2.188 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(CC)C2CC2)CC1 1588876452 AFXXSCQSNCYOIO-NHCUHLMSSA-N 428.625 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1589163435 JBQYJRDQNWCVFY-YADHBBJMSA-N 433.553 2.447 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)C1 1589504744 JEBRMQZNCFMSGC-IERDGZPVSA-N 441.532 2.222 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N(CCS(C)(=O)=O)C1CC1)c1ccccc1 1593796039 FVFFUOXQFAYWPE-UHFFFAOYSA-N 443.573 2.127 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1595543869 ATHQDHAMBFVFCI-RTWAWAEBSA-N 438.576 2.185 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1596721971 FKGWBIYMAMWFQQ-SFTDATJTSA-N 438.532 2.495 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1597687602 QGDVAQCKRLEUGC-SFHVURJKSA-N 438.532 2.355 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1613791993 SPRAWLSFLLVSFW-LQTLECTNSA-N 436.516 2.259 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(C)cc2)N(C)[C@H]1C 1613902913 GVJJTLHLJYQCKY-UVXWHEEHSA-N 426.560 2.430 30 10 IEEE CO[C@@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 1619011038 MLGONJQHQMDXFL-XDNAFOTISA-N 446.552 2.203 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1619590300 SSFZPDYAAOLDOC-MJGOQNOKSA-N 436.520 2.444 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1F 1628370591 WZSORWWKRQQXPP-AWEZNQCLSA-N 441.868 2.308 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1633898316 ZKBYHONPTCVODO-GOSISDBHSA-N 431.452 2.471 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(OC)c(OC)cc2I)C1 1634555253 TYXHQYGPOMTXAU-GFCCVEGCSA-N 428.270 2.136 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 1637667935 PIELHIVRNPKSOV-CQSZACIVSA-N 436.262 2.325 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cc(C)n(C3CCOCC3)n2)c(=O)c1C#N 1638640490 NAFHHMOSGCZNDZ-UHFFFAOYSA-N 434.294 2.340 30 10 IEEE CCO/C=C\[C@](O)(CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(F)(F)F 1641569675 HPVRRFXONZFACV-ZEVQVBBLSA-N 425.411 2.110 30 10 IEEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1642543436 SCKKCNDEUFEQBN-OXJNMPFZSA-N 441.576 2.407 30 10 IEEE CN(C)C(=O)[C@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1642635311 SJJPSMHNCGPVEO-HKUYNNGSSA-N 426.517 2.329 30 10 IEEE C[C@@H](C(=O)OC(C)(C)C)N(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1642978817 VWAVHHDQEWTJRK-KBXCAEBGSA-N 440.500 2.484 30 10 IEEE C[C@H](CC(=O)NCc1ccc2c(c1)OC(F)(F)O2)/N=C1/NS(=O)(=O)c2ccccc21 1643474946 AHRCRRLLVWTEOZ-LLVKDONJSA-N 437.424 2.142 30 10 IEEE Cc1c(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc(Br)cc1S(N)(=O)=O 1644083539 HOZPXIUWICKQSF-HNNXBMFYSA-N 434.315 2.174 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C#N)c2)c1 1645445822 CQTFZUBGLNTNSP-UHFFFAOYSA-N 436.287 2.440 30 10 IEEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OC 1648791392 RMDHNUPLHSWMLG-LBPRGKRZSA-N 442.843 2.261 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)CC1 1659720098 OHCBLXHFMZRKPO-AUSIDOKSSA-N 434.569 2.409 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 1664294852 AUHBVQVOYYUIAV-UHFFFAOYSA-N 446.319 2.285 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(F)cc1C 1665036301 IDIVYQOFJCXMCU-UHFFFAOYSA-N 435.452 2.442 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C#N)ccc3F)CC2)cc1 1670757343 HGZLVEQYRBTXLE-UHFFFAOYSA-N 430.461 2.438 30 10 IEEE CS(=O)(=O)C1CCC(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1683537459 UDBDBVBHISIJTH-UHFFFAOYSA-N 432.590 2.425 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689983522 CQMUMUALKUYILP-QGZVFWFLSA-N 430.530 2.347 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2ccccc2s1 1690093551 CEFIYHBUZJIWEO-OAHLLOKOSA-N 447.586 2.237 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CCOCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690359315 YDGGIEGBJNVYOL-FQEVSTJZSA-N 427.977 2.230 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690483412 OSQZREJZXNWPKH-LJQANCHMSA-N 430.597 2.319 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O 1690615957 XXOUJWJVSYJZPN-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690646645 YEVDZBMRDCSUCQ-UHFFFAOYSA-N 426.550 2.253 30 10 IEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690649568 AZFHMKLRWMFQTP-UHFFFAOYSA-N 440.548 2.234 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2cccn2)CC1 1690724146 ITGZGFBHSLABHY-LJQANCHMSA-N 448.593 2.234 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(C#N)o1 1694320638 QIEGTXGWQLGNRY-UHFFFAOYSA-N 428.493 2.099 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1696483325 CYTRXYHUMRZDIK-SFHVURJKSA-N 447.561 2.026 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCC1 1697617466 BGYYCZMOLKXQRB-IBGZPJMESA-N 440.548 2.469 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1697702102 BUTWYFINVIVRDL-SFHLNBCPSA-N 441.532 2.254 30 10 IEEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705528570 KVPRVXPXNIYOEK-UHFFFAOYSA-N 429.528 2.487 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1cccn(CC)c1=O 1705667105 NJROAVKFBILDDH-HSZRJFAPSA-N 431.500 2.147 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705752637 BUXMHLIQQNPSOI-INIZCTEOSA-N 429.887 2.319 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1705830089 IXRGCUFPFRJLHV-OALUTQOASA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705898810 YKSSUSONSZZRKG-OAHLLOKOSA-N 447.927 2.011 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 1705909286 SEWFBUQEOVVSRJ-AWEZNQCLSA-N 440.495 2.498 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1705913093 DHQMELASTQENRJ-OALUTQOASA-N 446.573 2.409 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1705947029 YEUWSVUHIKDPLT-DLBZAZTESA-N 443.639 2.013 30 10 IEEE Cc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)sc1C 1706994946 DIOIFJBSZHJYJP-CQSZACIVSA-N 443.558 2.120 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1708628035 BIOJZIVRWWHWFM-FXAWDEMLSA-N 440.548 2.105 30 10 IEEE CCOc1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)c1 1710548636 AWGGYTRTPBBECV-IBGZPJMESA-N 426.521 2.372 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1 1711880968 ZVQXPPLFXHYUIS-GHTZIAJQSA-N 431.468 2.113 30 10 IEEE COCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712367446 CBRNMKZSZSVILE-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCN1CCOCC1 1722323306 CNOOCXUMVZQAPN-UHFFFAOYSA-N 444.967 2.043 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722370365 NPZFOIYQAMJYNV-FGTMMUONSA-N 444.557 2.148 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722688774 LGOKTCFRRMYTJA-PKOBYXMFSA-N 440.548 2.399 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](COC)C1 1722692412 LKVFWFGVCGRKEZ-GOSISDBHSA-N 440.548 2.312 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)OC 1727281843 QPBLQILKZHURDL-PGRDOPGGSA-N 427.505 2.149 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1740588831 GVXIETXWLPPUHR-UHFFFAOYSA-N 435.532 2.049 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(C)n(C)c1=O 1740688166 NGBHRWSWXTVGJF-UHFFFAOYSA-N 444.539 2.423 30 10 IEEE C=CCCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740881358 FATYMBJHPJQTJY-NFBKMPQASA-N 433.597 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740957481 PEFUTFRBLFARHJ-GOSISDBHSA-N 426.443 2.105 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740957862 CGZDVFVZIDHGCQ-LJQANCHMSA-N 436.560 2.398 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC=C(C)C)CCO1 1741112071 VSMAAFMQCKREAB-NRFANRHFSA-N 438.532 2.426 30 10 IEEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1741124779 ZLLQRJXGHSBNPW-UHFFFAOYSA-N 428.500 2.427 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)Cc1ccc(F)cc1 1741657691 BZZDGVAGGIPQGO-NRFANRHFSA-N 431.491 2.129 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-c2ccsc2)nc1 1741679068 OINMXSNSOXGOMT-KRWDZBQOSA-N 437.529 2.317 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCCCC1 1747129174 CDINRPFLMFNHDJ-QGZVFWFLSA-N 439.564 2.472 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCN(CC)CC1 1748658644 UTQKGDUVBPZXRI-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1748698420 VEEUJWJFFQREDV-KRWDZBQOSA-N 442.568 2.048 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1748823839 COEXYBVJOYUHED-KRWDZBQOSA-N 436.965 2.451 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOc1ccc(F)cc1 1748846897 MAOHWCXECLVUNQ-SFHVURJKSA-N 444.532 2.251 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCc1nccc(C(F)(F)F)n1 1748852529 FXWNGXOQDRJOOC-UHFFFAOYSA-N 425.418 2.388 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCNC(=O)c1cc[nH]n1 1748943957 GMKKUZNNIDRGMO-UHFFFAOYSA-N 446.490 2.216 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1nncn1-c1ccccc1 1748958701 GNBAEZFHFQQXAL-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749285779 WWSGZYUDWUZRDV-HKUYNNGSSA-N 443.939 2.348 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749447918 PUOVBHBKTXIUJA-QHCPKHFHSA-N 441.532 2.414 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1749465243 AZASWYNCVULHPS-HXUWFJFHSA-N 426.583 2.298 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(OC)cc2C1 1749650307 ROUNCZKBWNYJNR-UHFFFAOYSA-N 440.548 2.070 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1750030860 TXUFPFZAQRQORM-QGZVFWFLSA-N 438.532 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1760099827 MDBRVATZNFVUQX-MZKRTTBSSA-N 433.597 2.133 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(C(=O)OC)CC1 1760175567 MMWRASFHTASBAT-IBGZPJMESA-N 425.489 2.338 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1 1760218369 FHMNDFKLWUDCHV-WBVHZDCISA-N 431.587 2.212 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(C[S@](C)=O)cc1 1760246571 UVZGAYYKXKVFTM-PMERELPUSA-N 425.558 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCOC[C@H]2CCCO2)CC1 1760258156 QFASSDHDRXMBEL-HXUWFJFHSA-N 439.560 2.295 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[S@](=O)CC)CC1 1760263820 PYMJMORQTYKWEQ-GDLZYMKVSA-N 431.631 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@@H]2C)CC1 1760264974 IYQJWVOSHFIWBF-PKOBYXMFSA-N 449.559 2.327 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1760452391 AXSGEHHIHJEMJL-KRWDZBQOSA-N 448.568 2.269 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)C1 1760585542 BZTHYFDJNINOOD-HXUWFJFHSA-N 440.548 2.458 30 10 IEEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CCO1 1762474510 ZHJLRMPBBFDNEE-OAQYLSRUSA-N 446.577 2.151 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1763450916 OCMCHOQKFQMVBM-FXAWDEMLSA-N 449.563 2.333 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1763948846 CTOSVLLDEUWWHD-SFHVURJKSA-N 447.543 2.495 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1766456965 BEEJBNWWWINFGN-GOSISDBHSA-N 448.531 2.223 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1767256909 WKCTZMIZGRORCA-LJQANCHMSA-N 427.505 2.067 30 10 IEEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1768688360 HFRURJUSOLCSAC-UHFFFAOYSA-N 429.488 2.442 30 10 IEEE COCCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770969675 GGZBZHAEIHYXAT-LJQANCHMSA-N 439.564 2.438 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(C(=O)N(C)C)CC2)[C@@H]1c1ccc(C#N)cc1 1848994210 FZZUEDUKISNDNN-LEWJYISDSA-N 442.585 2.279 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3CC(=O)N(c4cnn(C)c4)C3)ccc21 1851052326 QWFAYARPXBMCFK-OAHLLOKOSA-N 437.500 2.349 30 10 IEEE C=CCN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCN(C)C1=O 1852597827 NAUMBDSNUNIFGH-FQEVSTJZSA-N 445.516 2.266 30 10 IEEE C=CCN1C[C@H](C(=O)N(c2ccc(OC)nc2)S(=O)(=O)c2ccccc2C)CC1=O 1852820135 OZYNQOCZYHWLIV-MRXNPFEDSA-N 429.498 2.155 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)[C@@H]1C 1854752273 ZYXFNBAGSYBZNF-RBUKOAKNSA-N 433.574 2.031 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862694264 FVFYZZLASJMZSR-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865620217 ICMIPWWDQVMLSJ-QGZVFWFLSA-N 425.445 2.238 30 10 IEEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 1870106836 ISXPDOLWEJVEKV-UHFFFAOYSA-N 428.452 2.358 30 10 IEEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870109391 SLGPKJFTKVYZFF-OAHLLOKOSA-N 448.414 2.027 30 10 IEEE C=CCN(CC=C)c1nc(=NCCC(C)C)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631283 QHBUQBDDTHULFA-UHFFFAOYSA-N 435.532 2.321 30 10 IEEE CCc1nc([C@H](C#N)C(=O)CN2CCN(c3ccc(OC)cc3)CC2)sc1C(=O)OC 1872796378 XEXKUXYGRYWLQM-QGZVFWFLSA-N 442.541 2.499 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874377669 IFDCQSTUCDQHHA-ZVBGSRNCSA-N 430.421 2.081 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC(O)C1 1879109158 KYUYSYDRQMXUOB-UHFFFAOYSA-N 446.353 2.020 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@](C)(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1904761601 IXBCQOKDNKCUDZ-IBGZPJMESA-N 430.376 2.493 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCCO1 1969642185 MBVKUAJQCRFLJQ-UFYCRDLUSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128727479 FKBRETGIUSTLSC-MSOLQXFVSA-N 446.353 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(Br)c(C#N)c1 2141238277 NFMUXPFUQWRFBR-CYBMUJFWSA-N 425.283 2.418 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)C1 2243271068 MGAYNJZXVPDQCI-SHASCCLRSA-N 443.566 2.442 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)C1 2247559858 QDKQQTUOIZHVRT-OJLPUSQMSA-N 437.537 2.044 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247833072 AGVDGLPFAMOVAI-QWHCGFSZSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248403297 FRHDKSMWFDPBRR-JSGCOSHPSA-N 437.371 2.219 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254793223 PXPXHVXUDOTBMF-UHFFFAOYSA-N 434.390 2.274 30 10 IEEE CC(C)C[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255597441 QAXDNOCCQUHOGK-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)NC1(CCCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255603618 GPJCPVKNRXOEAP-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255696776 YSSIIEQALKZEKV-ZBFHGGJFSA-N 433.358 2.310 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2258957741 QWKAQTUSLPVYRV-UHFFFAOYSA-N 436.358 2.280 30 10 IEEE C[C@@H]1C[C@H](N(C)C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267010567 VSGBARFMHDCTSF-MJGOQNOKSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]12 2267096945 MDVWJXNRYLEEHB-NYHFZMIOSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267104446 XENNZNNUUZGBGM-QZTJIDSGSA-N 446.353 2.398 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2267138695 ZISPHIVXMQZDGX-MOPGFXCFSA-N 436.365 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C2COC2)C1 2267279150 GADGVMKITBJDJN-UHFFFAOYSA-N 448.325 2.039 30 10 IEEE Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)ccc1B1OC(C)(C)C(C)(C)O1 2267604037 CTHYTCOVAIHNJL-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268634137 GMBHPCWTLJHRBI-RVKKMQEKSA-N 448.369 2.437 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269076593 WSYOSRPHINUWGP-YJBOKZPZSA-N 440.305 2.169 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2282176360 SEKRTDAGCNMISK-DFBJGRDBSA-N 448.376 2.418 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccn1 2327827024 MNOKWDTWIXBTDI-OAHLLOKOSA-N 443.577 2.288 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)cc1OC 21324795 VKJZTOOQSNDVIQ-WSDLNYQXSA-N 427.490 2.215 30 10 IEEE COc1ccc([C@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72445500 JJOHYEJPJFELPV-UKRRQHHQSA-N 439.472 2.010 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCCO2 72461364 WOAFWHNWQNXTPH-RHSMWYFYSA-N 433.424 2.360 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 468933852 IDFZOMRPILDRMF-KRWDZBQOSA-N 427.530 2.282 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C)[C@H](OC)C3)nnc12 469884936 QPZAKMWIQUEJRH-RHSMWYFYSA-N 427.530 2.206 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 472110473 LWORNKCPHAHLJD-UHFFFAOYSA-N 440.481 2.456 30 10 IEEE Cc1cc(S(N)(=O)=O)cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1C 482549478 IRXMNSZGIDIBTP-UHFFFAOYSA-N 426.542 2.239 30 10 IEEE CCc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489438876 OXPLUBRHWNNNGE-QGZVFWFLSA-N 442.541 2.125 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 508831216 ABQGSRHONARAMM-UZLBHIALSA-N 436.965 2.204 30 10 IEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)OC)CC1 508870877 CEDSWUSUBAABDS-UHFFFAOYSA-N 438.301 2.328 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(C[C@@H]3CCCO3)c3ccncc3)C2=O)cc1 511096360 REEQQSPQNZDXDM-PMACEKPBSA-N 433.468 2.370 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(OC)cc(C)n2)c1=O 537394559 NOBJOIIJAPXMLW-UHFFFAOYSA-N 435.505 2.036 30 10 IEEE Cc1csc([C@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 541630094 DQLMCYSWYAGTOG-CQSZACIVSA-N 433.559 2.143 30 10 IEEE N#CC1(CS(=O)(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCCC1 546770165 VZLLVQBEVRQDLE-HXUWFJFHSA-N 431.606 2.329 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2Cc2ccccc2)CC1 549510013 VSADQSZILTXLOZ-UHFFFAOYSA-N 431.544 2.121 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 577544990 OZIQPKRXQQPRHH-DOTOQJQBSA-N 428.493 2.407 30 10 IEEE Cn1cc([C@H](NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C(F)(F)F)cn1 618557516 TZCSUTJBNFOWEI-MJGOQNOKSA-N 438.429 2.161 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)(F)F)c1 730145082 WIHRUWRLFQNJEN-HNNXBMFYSA-N 426.464 2.230 30 10 IEEE N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 737197803 JFQYBRNWQAWEQP-NRFANRHFSA-N 443.507 2.469 30 10 IEEE C#CCCN1CCC(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 740737211 FJAYXPBBOVQHHC-UHFFFAOYSA-N 432.318 2.039 30 10 IEEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)COC(=O)[C@@H](O)C1CCOCC1)CCCC2 740970605 ASYDHZJFTBMAAT-QFIPXVFZSA-N 437.496 2.497 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 744940206 BNFNDTGYYZAKGH-KANFNMMFSA-N 427.501 2.403 30 10 IEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCc1cc(Cl)ccc1OCC#N 745354899 YBYULMGCHKPBSM-GFCCVEGCSA-N 440.909 2.003 30 10 IEEE N#Cc1cc(COC(=O)CNS(=O)(=O)c2c(F)cc(F)cc2Br)ccn1 746991898 JEZVDJVLUCIEOO-UHFFFAOYSA-N 446.229 2.016 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@@H](C(=O)O)C1 757348511 HJCSLCYCPGMLCY-FCHUYYIVSA-N 448.475 2.229 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H]2CC23CCCC3)C1=O 757914822 IDIVQFBYZJHUGN-GMPCBGHVSA-N 443.617 2.325 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 782477055 FTJWLKKHASOQFE-LJQANCHMSA-N 428.533 2.249 30 10 IEEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 782986333 CFTHAZHPPWFBOI-UHFFFAOYSA-N 436.271 2.347 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](COC(=O)[C@H](C)n2cnc(C#N)n2)c2ccccc2)cc1 798746223 QACJKZQOYOQVCY-QFBILLFUSA-N 439.497 2.282 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ncnn2C(C)(C)C)C1=O 799861974 NJMXUXUCRVWCKT-HNNXBMFYSA-N 425.518 2.173 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2N(C)C)cc1 916711277 KYLXBUPRZJOTBN-HKOYGPOVSA-N 430.534 2.282 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1 918545127 GSEFZYWGJJGIAO-LYBHJNIJSA-N 449.577 2.414 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3OC)n2N)cc1 1084332261 GEICNYYWGRAZEH-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 1126293836 JFQKIMHXZPHHPM-RDJZCZTQSA-N 428.489 2.417 30 10 IEEE COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 1132547539 GSRAMXRRSPETGC-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@H]([C@@H]2CCCO2)C1 1133978778 UAHKIQHTVGSAQX-UXPWSPDFSA-N 439.516 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)CC1 1136195574 AXPQORLMAXVWRC-UHFFFAOYSA-N 426.473 2.332 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 1141766244 IUFNASJPONUPQG-CQSZACIVSA-N 441.912 2.211 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 1165508944 ZNXROSDTRDINFO-UHFFFAOYSA-N 430.526 2.312 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 1198251877 QXOHLWIQBSPZDH-OAHLLOKOSA-N 449.554 2.186 30 10 IEEE C#Cc1ccc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1 1202318373 IAKAYNUHGBPRMZ-UHFFFAOYSA-N 442.541 2.077 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=O)nc1O 1222313941 GXGQVEFNBUVSQD-URLYPYJESA-N 441.332 2.029 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)nn1 1230271858 LAVZBQFRMRRGDK-GFCCVEGCSA-N 426.290 2.016 30 10 IEEE C[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1(Cl)Cl 1251195260 LLJFPQPJCHEKRH-INIZCTEOSA-N 431.345 2.158 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1265540740 CHNZGCJSBDQCKH-KRWDZBQOSA-N 428.493 2.455 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286386827 ICCSFBIOTVAJIF-SFHVURJKSA-N 437.525 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N1CCCC1 1286415374 JYGVVYXGEKVKMI-IBGZPJMESA-N 436.585 2.372 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1286787052 BHPKLQGETQVMQV-RTBURBONSA-N 443.573 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286815210 ORKWQYGLYRXYJG-MAUKXSAKSA-N 449.533 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286819894 YZLPYCCAEKJTLR-KRWDZBQOSA-N 436.500 2.286 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300394934 YTWOBDZKKZTZQJ-KRWDZBQOSA-N 425.489 2.407 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1 1300579014 RCHCGEFREWWOQU-IBGZPJMESA-N 432.590 2.240 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1300621705 UGSWPXFOZPLHHD-UHFFFAOYSA-N 431.422 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCn2cnnn2)CC1 1300690251 FGSAZAJJBDLWGQ-UHFFFAOYSA-N 433.564 2.075 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300896563 HBJSRPFPYPLMAO-AZUAARDMSA-N 432.569 2.134 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](CN2CCCCC2)C1 1301578065 RETNMAGSVXGCGB-LJQANCHMSA-N 444.605 2.253 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCO[C@H]1C 1301773631 GHONFBPHXZDFLM-GAJHUEQPSA-N 436.516 2.338 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1301815342 RLDHCTURXVKSGA-HNNXBMFYSA-N 432.498 2.360 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1302149723 ABJIOXOPIRZDRX-OFNKIYASSA-N 441.532 2.254 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302392667 QUOCXVOFTOPNGN-MXLIYFDZSA-N 442.907 2.350 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cn1 1303901532 VPUYEJCUYMDHLF-KRWDZBQOSA-N 437.504 2.485 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC[C@H]1C 1305078463 HVRQOJNLZLYGPV-IAGOWNOFSA-N 443.573 2.239 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CC(F)(F)CO)CC2)n(-c2cccc(F)c2)c1C 1307888069 QYQCASGVXYWSSN-UHFFFAOYSA-N 449.477 2.289 30 10 IEEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1312948683 QASYZQIIIMGNCR-FDFFUELDSA-N 445.541 2.136 30 10 IEEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCSC)CCOC1 1314124228 UUPGDDUNSUFOPR-NRFANRHFSA-N 444.561 2.218 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)C1 1325227433 FHVGIBZOXHKADT-CQSZACIVSA-N 436.983 2.336 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1358871630 IFOGNRJZPUDKSU-UONOGXRCSA-N 437.516 2.356 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1359006496 XCZIGKZDWDSVRR-UHFFFAOYSA-N 425.514 2.282 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccc(F)cc2)CC1 1359037660 RVHJSOQQBPTKQE-UHFFFAOYSA-N 447.562 2.290 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1360818540 GUPXIDBEUCDPCX-HKUYNNGSSA-N 438.532 2.246 30 10 IEEE Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cccc1S(=O)(=O)N(C)C 1436713024 HPXCOIQGKWRVFH-MRXNPFEDSA-N 426.498 2.109 30 10 IEEE C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1446653087 YVKIFFPJULMPIA-GJZGRUSLSA-N 437.518 2.340 30 10 IEEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1455224190 JAQKXFPWLGBASP-FQEVSTJZSA-N 436.436 2.166 30 10 IEEE C[C@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1(Br)Br 1463911824 BCOHNRXUSUCIEN-CQSZACIVSA-N 428.128 2.498 30 10 IEEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)C1CCCC1 1468896016 FCFBIAMCBHNTHG-FQEVSTJZSA-N 432.590 2.441 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1c(C)nc(O)c(C#N)c1C 1472311305 AIQPAVJDMREYOK-MRXNPFEDSA-N 432.521 2.303 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H]1CCN(CCC(=O)OC)C1=O 1472934193 AXPYPOQFFYOJAY-MRXNPFEDSA-N 434.493 2.438 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCN3CCC[C@@H](C)C3)CC2)c1C#N 1492727729 FFSZBRDCMZVRSY-GOSISDBHSA-N 439.612 2.339 30 10 IEEE CCCN1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1500962236 YIXMFDUGIWVMJD-UHFFFAOYSA-N 425.537 2.338 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N1CCOCC1 1507520951 IOHYQYRXTYYCGO-HZPDHXFCSA-N 427.574 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1507642158 HGMRYEFEUDYCND-LBPRGKRZSA-N 445.492 2.090 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1507733039 NKSPFHBPYXWJAF-FCHUYYIVSA-N 438.576 2.196 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(COC)CCCCC2)CC1 1507740242 YXXYLMZHKKXSAE-HXUWFJFHSA-N 443.592 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)CC)CC1 1507741275 OTIDRXDZYWIPSP-HSZRJFAPSA-N 443.523 2.123 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507753842 PALZULCQTOSESY-AWEZNQCLSA-N 442.557 2.383 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1507778575 FMZTXXFNQHPVPL-SFHVURJKSA-N 445.365 2.423 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1 1508039716 PLZVMXRAXJKQLC-OAHLLOKOSA-N 426.489 2.146 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)NC(C)C 1508133836 MINFEPUMUOXLLW-UHFFFAOYSA-N 445.545 2.253 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1509590956 ARTNYMDFNUVVGO-IBGZPJMESA-N 426.521 2.120 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1513168627 BYUHFAMRKREWIJ-MRXNPFEDSA-N 439.520 2.010 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O 1517160245 OMAMKMLYVTXNFO-UHFFFAOYSA-N 441.561 2.402 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)cc1 1526584614 BSWVPFZFHOVZSF-UHFFFAOYSA-N 441.509 2.221 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 1534448555 YHKPNNZMNXZIRV-GOSISDBHSA-N 427.461 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCC1 1538975704 CCCUUFAPAGBOBI-HNNXBMFYSA-N 430.578 2.310 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@H]1C 1539001421 AKPXSDJCTIBIJU-XFQAVAEZSA-N 430.578 2.247 30 10 IEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1539231361 RPJIPNJDDCZITA-HLLBOEOZSA-N 449.577 2.010 30 10 IEEE C#CCN(CC#CC)c1nnc(CC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539325423 IKGBFGQSQJFSAD-QYZOEREBSA-N 427.549 2.328 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1539459679 MVKWTNGUTCGOCS-IFMALSPDSA-N 434.544 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(N(C)C)CCSC2)CC1 1539467010 LONDMYYHLWOTCC-VGSWGCGISA-N 432.638 2.195 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCN1CCOCC1 1539634266 AGRFHBPEIDXKCW-RBBKRZOGSA-N 426.565 2.014 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539752722 XFRFQHRJJVRMSD-QFIPXVFZSA-N 439.608 2.073 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)OC)c2cccs2)s1 1540025331 AWZHZSGXAZFLLO-CYBMUJFWSA-N 428.557 2.237 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1540047823 MZSUHAZOGKIDQR-PKOBYXMFSA-N 432.594 2.348 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1540880614 MASJFCDKUQYRRU-LJQANCHMSA-N 440.548 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1540903699 GZYSQKCLFQVEJR-UHFFFAOYSA-N 438.516 2.361 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nncn1-c1ccccc1 1541664300 CFTCVRAMEQCMFV-QFIPXVFZSA-N 433.520 2.175 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1555716375 LXQUAEHLYXOPOM-WCRBZPEASA-N 425.533 2.467 30 10 IEEE CC(C)c1cnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[nH]1 1559441736 AIGHKKMUTHMBSA-UHFFFAOYSA-N 433.559 2.030 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OCC)ccc2Br)CC1 1561940178 JZCAPKOICBYTDT-UHFFFAOYSA-N 429.336 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1584012698 MPWJPBYMGJMYIQ-UZUQRXQVSA-N 442.516 2.053 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1587926650 CGYXHBUDVIGMDS-SFHVURJKSA-N 426.565 2.058 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1588149308 NGLBKVJLZKGBOH-UHFFFAOYSA-N 442.523 2.338 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1588219069 JXLIIRKZUWABRA-UHFFFAOYSA-N 440.511 2.104 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(C)CC2)CC1 1588968955 SUCYGTNGMRFYBS-OALUTQOASA-N 429.565 2.158 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1594963027 OTVQQZPVJDFUIF-NHCUHLMSSA-N 443.617 2.367 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595555864 JVIMKYYKWUQYPW-CYFREDJKSA-N 439.560 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 1595784984 PJOFSEIHFUWUGI-GOSISDBHSA-N 431.562 2.194 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C(F)(F)c2ccccc2C#N)cc1 1595816204 ZUCUKJRAGHWJHM-UHFFFAOYSA-N 436.436 2.054 30 10 IEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1595890117 JIMNASWNOLMZOK-QGZVFWFLSA-N 437.516 2.018 30 10 IEEE C=CCC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1596593357 MNVJJKLFTYLIOD-SFHVURJKSA-N 426.604 2.325 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OCC 1596595842 MCRMXFRGGVROKH-RDJZCZTQSA-N 425.551 2.073 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1611501128 GTFNEVBAEZEKSD-GOSISDBHSA-N 425.510 2.064 30 10 IEEE Cc1ccc(CSCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1612089600 MNNRVMHUFHLDFH-SFHVURJKSA-N 428.562 2.387 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)c1 1612247675 AYQDTURIBNJPFJ-YVGXBJCXSA-N 431.562 2.442 30 10 IEEE COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NC(=O)Nc4cccc(C#N)c4)CO[C@@H]23)cc1 1616127691 JNQTVVYWLLELKA-WTGUMLROSA-N 438.440 2.472 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc3cc(F)ccc3n2C)s1 1616709316 DROQPCDPDOJQLL-UHFFFAOYSA-N 436.534 2.140 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1620086370 KZDFFAUSGPZDGO-ACRUOGEOSA-N 441.532 2.316 30 10 IEEE CC(C)C[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1627011344 RQXGENQZHCWJTR-HNNXBMFYSA-N 437.562 2.235 30 10 IEEE Cc1cccc([C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)N2CCOCC2)c1 1628534208 FDDQZBJYJWPCFE-QHCPKHFHSA-N 434.544 2.167 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1628663236 YHPCHCRIOSHNQR-QFIPXVFZSA-N 441.553 2.459 30 10 IEEE CC(C)(C)OC(=O)N1CCOc2cc(C(=O)N3CCN(C(=O)CC#N)CC3)ccc2C1 1630034567 RBUKRAGTOVZVIN-UHFFFAOYSA-N 428.489 2.014 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(n2cnc3c(N)nc(N)nc32)C1 1635278648 OXRBYWUFHZZYDH-UHFFFAOYSA-N 433.394 2.271 30 10 IEEE Cc1cc(C(=O)NCc2nc(C#N)cs2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1636259054 GSWIQGFUCGILRR-UHFFFAOYSA-N 429.527 2.059 30 10 IEEE C#CCN(C(=O)CNC(=O)NCc1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327840 XPAQTOJRWZIVNN-UHFFFAOYSA-N 446.523 2.486 30 10 IEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 1642526977 AKWUKYHFXBSWPA-UHFFFAOYSA-N 428.514 2.231 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC(C)(C)c1cccc(C#N)c1 1647733197 HMICLAQWZZLOMS-UHFFFAOYSA-N 435.571 2.107 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4cc(O)ccc4C3)CC2)cc1 1648197899 GVINSXWMHCFXHU-UHFFFAOYSA-N 425.510 2.249 30 10 IEEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C[C@H]1C 1648936660 IJYYCJBAIBKTIF-NARAOEGZSA-N 449.573 2.330 30 10 IEEE C[C@@H]1OCC[C@@]12CN(S(=O)(=O)c1cc(Br)c(C#N)cc1F)C[C@@H](C)O2 1655215423 CDRCMTPUPXGOOW-OHUAYANFSA-N 433.299 2.417 30 10 IEEE C=C(C)COCCNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1663326499 BSEKLKQBYZHJEZ-UHFFFAOYSA-N 425.327 2.442 30 10 IEEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCN(c3ccsc3C#N)CC2)c1 1678210190 BEBOLXZCGHRYON-CQSZACIVSA-N 433.559 2.121 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1689942738 CHQBJQSVEYZLOE-UHFFFAOYSA-N 434.544 2.258 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)c(COC)c1 1690003226 HQWJWCJXGWSHKT-QHCPKHFHSA-N 426.492 2.337 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN1CCOCC1 1690017551 GSUPFLRCCVFURW-QHCPKHFHSA-N 433.556 2.473 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1690163998 YDIFPFSIADRFPS-NRFANRHFSA-N 433.545 2.417 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1690170444 ISTIJUMCSCQIJP-MRXNPFEDSA-N 438.557 2.174 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)CC1 1690415800 YYLCAWPQHDKDNP-UHFFFAOYSA-N 439.969 2.462 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC(=O)NC)CC1 1690663290 RKFYYPADOCLHNP-UHFFFAOYSA-N 436.516 2.346 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1 1690714387 LUJXMHLIAXUXPW-UHFFFAOYSA-N 440.529 2.163 30 10 IEEE CC(C)C[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)N(C)C 1692055834 WXDRGEWVPGZHRL-DXIQSLLYSA-N 434.585 2.024 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1695604960 DVRANEFYYFHVLK-IRXDYDNUSA-N 432.594 2.416 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1705495729 UOSDWPNYWZHYTE-WMZOPIPTSA-N 443.573 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2c[nH]nc2C)CC1 1705636371 HJWWVIWWYIEBLG-UHFFFAOYSA-N 449.559 2.382 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705680410 AJSJHASUKSKXOU-CQSZACIVSA-N 427.391 2.347 30 10 IEEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705770772 UHIWDABOTZCIQX-UHFFFAOYSA-N 448.574 2.194 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCOC2)cc1 1705911908 TZBFUQJICFKGFO-MSOLQXFVSA-N 432.546 2.018 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOCC2(C)C)CCOC1 1706069281 ZTAMGWBZBZGVGR-PGRDOPGGSA-N 434.585 2.025 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1706073828 UNAFLFGUZPADLD-OAHLLOKOSA-N 427.534 2.028 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1722297549 JTXMGWSGRRQZNP-QGZVFWFLSA-N 440.573 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1 1722397846 VNCNWCALADPMIQ-WBVHZDCISA-N 431.587 2.212 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1722424972 HABKBRQEORGTTA-IBGZPJMESA-N 443.502 2.346 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722462114 YCDVDFZBUYUHKW-KDURUIRLSA-N 428.606 2.176 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722464882 AHSSMJYBBMIRQE-IBGZPJMESA-N 448.614 2.464 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722533335 OTHIKSNOUFBGBE-SFHVURJKSA-N 430.940 2.329 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722538683 ZZOCUQUHNJLPBC-GOSISDBHSA-N 448.593 2.323 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722617823 MUYTZXPXSOEOJJ-PCCBWWKXSA-N 444.624 2.375 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1722739240 TWXJPLPYXUQADT-QGZVFWFLSA-N 427.640 2.020 30 10 IEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1723550386 BRQPFKFPIZGJRQ-UHFFFAOYSA-N 449.563 2.020 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1727648357 BVDFGCNYHVJUET-QGZVFWFLSA-N 449.481 2.416 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1729332958 FKHPJAFTHAYULQ-QUCCMNQESA-N 435.576 2.367 30 10 IEEE CNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729720452 UFGOEYIHGKYWGV-UHFFFAOYSA-N 437.891 2.270 30 10 IEEE CO[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1729905842 MIRNQNVUYSTPTG-MZKRTTBSSA-N 441.532 2.435 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1730608053 CGZQDKFNIIFGQZ-QGZVFWFLSA-N 427.436 2.361 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCCCCCO)cc1 1731185045 OLRURCOKPJGWBQ-IBGZPJMESA-N 438.532 2.092 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCn1cc(CO)nn1 1740535050 NBIHXTFYSUOVDA-CVEARBPZSA-N 427.484 2.189 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740575050 NYVCOKPJBOMOKU-OFNKIYASSA-N 449.603 2.056 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1740596410 DZHVZVGEKVXUIW-KNQAVFIVSA-N 427.553 2.393 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740628632 ZFCOBBPWMBFVTQ-PMACEKPBSA-N 449.621 2.022 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1740628706 ZSAMDYRMPHVWBT-HKUYNNGSSA-N 448.976 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740647469 UPWXJDQGSWXJOP-NVXDSCFRSA-N 426.561 2.334 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740666514 SBXYYVMHRGRWOD-GOSISDBHSA-N 438.557 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CSCCS2)CC1 1740704091 HLYPLVKSRDFNIE-SFHVURJKSA-N 442.614 2.155 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H](C(C)C)N1CCOCC1 1740734333 YYZOJWWTCAUYMM-ZJSXRUAMSA-N 439.608 2.489 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(C)(OC)C1 1740955394 SZDXCZRKDMQRDJ-UHFFFAOYSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1740958427 AYFPGXYTJKSBSQ-IBGZPJMESA-N 449.515 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1740975625 CSUHVILMMUHXGG-PMACEKPBSA-N 427.597 2.328 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1741006224 DFEXDCZOHQKCSN-DFQSSKMNSA-N 448.637 2.038 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1747436665 DESKVVMCMDLRDX-LJQANCHMSA-N 446.577 2.357 30 10 IEEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1747439193 ZKCMIOCFNBQFAC-MOPGFXCFSA-N 428.562 2.228 30 10 IEEE COc1ccc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1748792154 ZKAAUTVXDGFLFV-QURGRASLSA-N 436.516 2.402 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCCCO)CC1 1748989144 GLMIRDCXJWJTEF-OAQYLSRUSA-N 425.533 2.099 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@H]2C1 1749043168 FEUPCWXUXVMDQP-KRWDZBQOSA-N 444.630 2.311 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1749617862 VITCDVLHKNAVHF-IBGZPJMESA-N 449.577 2.017 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCC(OC)CC2)C1 1749711545 AOWBVXOJIYDCPE-UYAOXDASSA-N 433.597 2.453 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC=CCO1 1749827620 FUQRVYFAFBRTSJ-GOSISDBHSA-N 425.489 2.428 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@@H]1CCOC1 1750138440 XGTVAADYVNKJNW-UFYCRDLUSA-N 433.553 2.185 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1 1750989712 IFSKJJZXSLRHAX-QFIPXVFZSA-N 426.521 2.259 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1751176368 YUHVMRPTFOTZHP-CZUORRHYSA-N 439.488 2.110 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1760124482 SHZFEROAOQPHSY-ZDUSSCGKSA-N 425.411 2.002 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1760188522 BKJUMPJMHDFZLA-MOPGFXCFSA-N 445.614 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@@H](C)OC)n1 1760209218 ZSWSQCGFHQOORT-MRXNPFEDSA-N 426.546 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nnnn1CC1CC1 1760223778 LZVZZNDLFXYDSR-UHFFFAOYSA-N 444.543 2.382 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1760501501 SKWLANBUTLXYKM-GOSISDBHSA-N 447.605 2.493 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1760505082 KEXFBORMEDGHRE-KRWDZBQOSA-N 436.553 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C)CC1 1760555864 PIVKVYVKFQZULP-IBGZPJMESA-N 445.589 2.018 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1766715858 XAAOGLQAZHKXHH-QFBILLFUSA-N 446.577 2.007 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1767539263 QIVYHPDASRSUBY-GSHUGGBRSA-N 445.495 2.334 30 10 IEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)ccc1OC(C)C 1768271632 UCFMDOQBCUTRNE-OPAMFIHVSA-N 442.495 2.461 30 10 IEEE COC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1769256492 HCTYGJCGMDEUBH-VXKWHMMOSA-N 448.527 2.375 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(CC(C)C)C1 1770051918 QFXSNDWUAJBCJZ-HSALFYBXSA-N 434.585 2.099 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)c1 1770304688 YCJZDNIRGRUUDT-WMZOPIPTSA-N 426.521 2.207 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1F 1770645844 UCGGGFSEOIIYGI-QAPCUYQASA-N 447.536 2.348 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)c1COC)[C@@H]1CCN(C)C1=O 1850863276 RETPXHXKQKUUDG-OAHLLOKOSA-N 437.422 2.291 30 10 IEEE N#CCCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851473831 GLFIURZVBOCJAU-JOCHJYFZSA-N 425.554 2.271 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)C1CN(C(=O)COc2ccccc2F)C1 1853084598 NYQUQOPHQSULQT-ZDUSSCGKSA-N 445.882 2.297 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)c1 1853772028 HDBISFZJOAUNFG-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)[C@@H]1C 1854295649 LHXYPAYKRZRLOW-KBPBESRZSA-N 445.994 2.190 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)COc2ccc(F)cc2)C1=O 1857049133 HUXQSZMSANKKKV-AWEZNQCLSA-N 431.445 2.074 30 10 IEEE C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 1860595114 DCWOUZABEHLNIN-OAHLLOKOSA-N 430.464 2.420 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(C)ccc1S(C)(=O)=O 1861002282 QCUJSLWHAXVKNK-HKUYNNGSSA-N 438.590 2.451 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862681545 CICWFHOQWFDXRV-HXUWFJFHSA-N 440.427 2.311 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862745631 NRYDDSKOMUMIKO-KZULUSFZSA-N 440.408 2.341 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CCC)nn2CC 1864321105 HTZICCCOVWXFQE-SFHVURJKSA-N 426.517 2.223 30 10 IEEE N#Cc1c(NC(=O)Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)sc2c1CCC2 1870103691 GLAPJLMKAAQFAN-UHFFFAOYSA-N 449.471 2.236 30 10 IEEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCCCC2)cc1=O 1870387508 HGJRZRSLZVDHIK-UHFFFAOYSA-N 431.558 2.289 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCN(CC)CC 1870670895 QDGDVMPCFFYPGI-UHFFFAOYSA-N 449.592 2.323 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCC(CO)CC1 1870755247 KMFUJPZXKHIJNU-UHFFFAOYSA-N 429.492 2.395 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1889726342 KLOJSRHXQNXKIW-OAHLLOKOSA-N 432.011 2.406 30 10 IEEE N#CC1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1890482803 DGTHMZXLBOCLCI-IBGZPJMESA-N 438.981 2.235 30 10 IEEE C=CCN(CCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1985018064 PFKJFLWBHQKHLL-HOTGVXAUSA-N 427.542 2.144 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)C1 2011681790 MYAOIXGNAVRTMK-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CN(C(=O)OC(C)(C)C)C23CCC3)[C@H](C#N)C1 2018787295 VYUSEYUYALQAGP-OPAMFIHVSA-N 435.569 2.302 30 10 IEEE CC(C)(C#CC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023918921 XZXFGIPFCTWBAL-HOTGVXAUSA-N 439.553 2.027 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCCOC2)C1 2054340121 XLXBZHBRNDNCCC-CJNGLKHVSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060640592 WRMRGTRGJPWRLL-NRKLIOEPSA-N 436.358 2.467 30 10 IEEE CN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C[C@@H]1C#N 2060821514 WPPCHMKDMMLRQY-FQEVSTJZSA-N 441.576 2.212 30 10 IEEE COC(=O)[C@H](CC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2068912496 OLWLDTLTZBUIKG-HNNXBMFYSA-N 438.330 2.233 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]1CC(=NO)C2 2193810261 LJPHLJKDVDZQPN-AVYPCKFXSA-N 437.493 2.188 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](O)[C@H](N)C#Cc1ccccc1Br 2227477440 QOIGMIYMPPDMGW-ZACQAIPSSA-N 425.323 2.125 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)n1 2231048746 MTFQQAROWCVQEK-UHFFFAOYSA-N 434.165 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2232282525 PTPBXVILHKIAGY-UHFFFAOYSA-N 446.357 2.048 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2232300074 POKGSTKFKHVKRP-JKSUJKDBSA-N 447.341 2.328 30 10 IEEE C=C(CS(=O)(=O)N(C)C[C@@H](O)COCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2243426946 OBDBLERYNCFPET-GOSISDBHSA-N 425.356 2.013 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)C1 2247543273 BKDAAVIAHOUZPD-AWTNTWDUSA-N 429.439 2.057 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(COC)CN(C(=O)OC(C)(C)C)C2)C1 2247568313 ASZLNOMMADUEGO-UHFFFAOYSA-N 437.537 2.045 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247777835 SIMWYDXTVMRODD-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255534960 OHKVHUSMLMAEHX-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE CC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2255595291 HUOHCSYWJCMAKB-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)Cc1ccccc1 2256016367 HCPHCCMMMKIHJD-UHFFFAOYSA-N 426.322 2.259 30 10 IEEE C[C@H](COCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2256654163 NKPNSXKICJLIKA-CQSZACIVSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256895326 VNCJHLNATKQXNP-HNNXBMFYSA-N 437.321 2.250 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267186396 JBJQAESMMFHLSO-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2267496327 XQQVFJISBFFRDY-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2267524110 LKTDPUMVWBSCIX-UHFFFAOYSA-N 448.373 2.111 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267871679 CQXROJIALZVFSW-CQSZACIVSA-N 446.357 2.151 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2282119894 YJTNHZKLDUIKGY-NRFANRHFSA-N 449.404 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304834 PHGANOKRVFKVMX-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE COCCn1cc(C#C[C@H](N)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318058258 ZSRQSIRYWHPWBP-FCHUYYIVSA-N 441.576 2.234 30 10 IEEE COc1cccc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 2327892781 SDLULHJBWRLIOT-OAHLLOKOSA-N 447.561 2.463 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H]2COC[C@H]21 2345723875 FBKBSUYNHKHHKB-IAGOWNOFSA-N 449.332 2.344 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1nc(Br)nn1CCOC 2353689260 ZXBSVQHEZVHBQI-STQMWFEESA-N 430.347 2.254 30 10 IEEE CC1(NC(=O)OCc2ccccc2)CCC(O)(C(=O)C#CC2(S(C)(=O)=O)CC2)CC1 2367841127 DJHOYBQVUUZZLV-UHFFFAOYSA-N 433.526 2.126 30 10 IEEE COC(=O)C1=C(C)N/C(=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)C1=O 33344945 MRHFAKLFDYIXKB-SXGWCWSVSA-N 436.873 2.372 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)C/C(N)=N/O)cc1Br 155815412 ALJYIXRYFMECFK-SSDOTTSWSA-N 429.134 2.323 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC1 431162679 UMWAMOKCTCDXHQ-UHFFFAOYSA-N 446.349 2.003 30 10 IEEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 443814390 UYQZLVKAKMEMRN-UHFFFAOYSA-N 427.468 2.667 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 460808910 KJWMJYXWSDLSHR-QGZVFWFLSA-N 437.591 2.441 30 10 IEEE COC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC(C)CC1 475000783 IFJYWEQBFXAOPN-UHFFFAOYSA-N 434.562 2.169 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ncccc2C#N)CC1 506935475 BOTAWGODWGCUMP-UHFFFAOYSA-N 429.528 2.194 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 508963467 SBBYJNYDMIOAPQ-UHFFFAOYSA-N 427.509 2.030 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)n(-c2ccccc2)c1C 511108172 PHPRTVFOTOXGLA-IBGZPJMESA-N 443.573 2.260 30 10 IEEE COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1N1CCCC1=O 521755015 SDUFIIBOAKJVAK-UHFFFAOYSA-N 442.497 2.185 30 10 IEEE C=CCCCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 522950019 DNFOVBXZFQWMLV-UHFFFAOYSA-N 441.981 2.378 30 10 IEEE Cc1cc(N2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)n2ncnc2n1 524419403 HVCZNEVAONYOHJ-UHFFFAOYSA-N 443.467 2.439 30 10 IEEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 531147925 MPVCGUNFUCAJKX-UHFFFAOYSA-N 448.342 2.396 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nnc1N1CCN(CC)CC1 573528185 WUVVAUWGIHSRAY-UHFFFAOYSA-N 444.605 2.448 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4cc(C#N)nc5ccccc45)CC3)C2=O)n(C)n1 613684132 BXIVHWDNVDRFNT-OAQYLSRUSA-N 429.528 2.466 30 10 IEEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ncccc2C#N)CC1 619736743 RKTWZQRNRNYBCP-UHFFFAOYSA-N 443.555 2.253 30 10 IEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c1C 728557155 GDIPBSPOFSCIGX-UHFFFAOYSA-N 446.576 2.178 30 10 IEEE COc1ncccc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730142205 NIRZZHBFAUEDRM-SFHVURJKSA-N 441.557 2.290 30 10 IEEE CCc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(OC)c([N+](=O)[O-])c3)c2=O)c1 730250906 CVLRXJBDXMDUDL-UHFFFAOYSA-N 432.461 2.405 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2C1=O 730405253 FQTYRGFBFVPVMI-UHFFFAOYSA-N 429.841 2.112 30 10 IEEE CC1CCN(c2nn(CN3CCN(C4CC4)[C@H](C#N)C3)c(=S)n2C[C@H]2CCCO2)CC1 732673181 XERSACUABQRBGH-WOJBJXKFSA-N 445.637 2.459 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)cc1 732708960 WXIUKMXFMLWNGY-JOCHJYFZSA-N 443.507 2.469 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 744780634 JPGAXSFUCGWJMA-JKSUJKDBSA-N 426.560 2.424 30 10 IEEE CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 755283253 VIDWOSFIOLCBJN-PXNSSMCTSA-N 427.549 2.424 30 10 IEEE COc1ccc(Cn2nccc2NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c(OC)c1 756793456 KZHZXWXGJQPQHX-UHFFFAOYSA-N 449.467 2.084 30 10 IEEE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 763718027 GDGXZBPXCIHYCW-IBGZPJMESA-N 429.440 2.275 30 10 IEEE N#Cc1ccsc1N1CC[C@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C1=O 764520050 CCLNGXBDDFMKIK-RDJZCZTQSA-N 425.466 2.279 30 10 IEEE COc1ccc(S(=O)(=O)N(CCC#N)CC(C)C)c(NS(=O)(=O)C(F)F)c1 769649578 XYJMZFBDWZXKHQ-UHFFFAOYSA-N 425.479 2.220 30 10 IEEE COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772902574 XNPRVRHJDHWXGE-UHFFFAOYSA-N 433.599 2.329 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)CCN1C1CC1 773248604 CFKCSWZFORUDLJ-ZDUSSCGKSA-N 446.376 2.487 30 10 IEEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 774188269 UFZWYINNGLLJMB-HXUWFJFHSA-N 443.500 2.410 30 10 IEEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1 777145357 YFWQCDAYBCSJRJ-UHFFFAOYSA-N 426.494 2.461 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CCCC#N)C[C@H]2CCCC[C@H]21 779255771 HMMYWIMWYBHIPK-NXHRZFHOSA-N 433.530 2.218 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 780280348 FQGNTJIICDFCOY-UHFFFAOYSA-N 427.844 2.398 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CCCn2ccnn2)C1=O 784123870 GTUQXPVEDJILTJ-KRWDZBQOSA-N 430.534 2.223 30 10 IEEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCCN(C(=O)OCc4ccccc4)C3)nc12 784733224 NXWAFMOMIVQASU-INIZCTEOSA-N 435.440 2.399 30 10 IEEE C[C@H](NC(=O)[C@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1Cl 787052833 NSQUXSYVMOHSSB-GXFFZTMASA-N 447.282 2.023 30 10 IEEE COCCCN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(C)c1 789967783 HZPZCCCWNBAESU-UHFFFAOYSA-N 433.559 2.173 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 796410474 CXKQWYFASJIHFD-HDMKZQKVSA-N 443.529 2.293 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)Nc3ccc(CC#N)cc3)CC(=O)N2C(C)(C)C)cn1 796421674 VBIORTUOQAHBAR-RXVVDRJESA-N 437.500 2.356 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H]2C[C@@H]2C(F)F)C1=O 807929534 KNWGMUXSXUCUPE-TUKIKUTGSA-N 428.480 2.479 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C3CCC3)c2=O)cn1 814253811 LREXLGAYDZMNGA-UHFFFAOYSA-N 433.537 2.383 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856566046 ZFGYMVVCMGFMMI-KRWDZBQOSA-N 443.529 2.435 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC(C(=O)N(C)C)CC3)nc12 915836296 IYGAMHTZSPRKKP-UHFFFAOYSA-N 426.546 2.124 30 10 IEEE Cc1cccc(NC(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1 1142898271 KYHNGQZNGPFANQ-UHFFFAOYSA-N 444.488 2.421 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-n2ccccc2=O)cc1F 1147097995 OVHRFWFSRQNQFQ-CQSZACIVSA-N 440.456 2.154 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1 1151237164 PXWOCMUWOLIIGM-NRFANRHFSA-N 435.509 2.390 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1 1154157550 DEYWFALVSDNMHG-WLOOLWSVSA-N 430.958 2.088 30 10 IEEE N#CCCn1cc(C(=O)Cn2cc(I)c(O)nc2=O)c2ccccc21 1166197713 NTFCFEWLPNTCKX-UHFFFAOYSA-N 448.220 2.305 30 10 IEEE C[C@@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCN1S(C)(=O)=O 1166750811 HQLNKNQMNPVKJN-OAHLLOKOSA-N 438.981 2.310 30 10 IEEE Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)cc1 1174831785 IMKUJKBJVHPTDX-FQEVSTJZSA-N 426.542 2.191 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CN3C(=O)C(F)(F)Oc4ccccc43)C2)nc1 1178460333 HQBOSICRGOJMOB-HNNXBMFYSA-N 427.411 2.375 30 10 IEEE C#CC[C@@H](NCc1ccc(Br)cc1SCCS(C)(=O)=O)C(=O)OC 1182271131 FOWJCPDHBURPMF-CQSZACIVSA-N 434.377 2.240 30 10 IEEE CCOC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198070250 BADHGKMPOXSYID-KCTSRDHCSA-N 445.310 2.063 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 1220521575 YMUUUEXQBRHJOK-UHFFFAOYSA-N 428.577 2.311 30 10 IEEE Cn1cc(CNC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 1226081782 DVNCTMJQFVSTKK-DEOSSOPVSA-N 428.496 2.297 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1286415759 QOYLQSYRNFJVCH-JTHBVZDNSA-N 432.572 2.413 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1NC(=O)CC1(C)C 1286468749 ILLWGXVIPGODRY-FQEVSTJZSA-N 439.560 2.475 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2snnc2C)CC1 1286483679 UIGICEKGDFJIHB-UHFFFAOYSA-N 437.573 2.035 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1 1286485697 VEBODDGZANFYOH-RCCFBDPRSA-N 437.535 2.376 30 10 IEEE C#CCSCCn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286512779 NYVUKDBMIJHIEE-KNQAVFIVSA-N 433.622 2.360 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1)C1CC1 1286731892 XKWIVZJAQNHFSG-QGZVFWFLSA-N 438.523 2.025 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286784818 USHOCVIMXBPMRM-IUKKYPGJSA-N 425.533 2.328 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](C)c1nccs1 1286820441 LPCJQOSEVXGILZ-JKSUJKDBSA-N 439.607 2.469 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286964501 BNCGOCUQBNPNKB-WBVHZDCISA-N 443.552 2.392 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(F)F 1286966198 QEKBPRIZTOVJFV-ZDUSSCGKSA-N 431.447 2.417 30 10 IEEE CN(C)CCN1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1290337633 RBXOQMXYAVFLLY-OAQYLSRUSA-N 441.576 2.098 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCCO)cs1 1290432920 RCJACFKUHQNKST-IBGZPJMESA-N 429.594 2.363 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1300332758 NBDPMYFATILQQC-LJQANCHMSA-N 434.544 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300570066 FETQIKFVMFSHJB-IBGZPJMESA-N 430.487 2.286 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(c2ccccc2F)C1 1300650005 RBYWXPHCAKDQAP-SFHVURJKSA-N 442.539 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300695789 JOVXNVNAJGSWLT-QGZVFWFLSA-N 427.553 2.284 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)CC1 1300743442 QCPVCQTYYKDCJN-UHFFFAOYSA-N 426.571 2.270 30 10 IEEE COC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301023800 LNSTXVBAAMLSSE-QGZVFWFLSA-N 440.529 2.127 30 10 IEEE N#Cc1cn(CCNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c(=O)nc1O 1301210849 FUNXCCLNEHTEJG-UHFFFAOYSA-N 426.436 2.103 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1301555244 AEAUDXYWZBAWGQ-ZWKOTPCHSA-N 432.546 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301578064 RETNMAGSVXGCGB-IBGZPJMESA-N 444.605 2.253 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccn2)nnc1N1CCC(F)(F)CC1 1303095182 DIAWEFNJNGYNFW-HNENSFHCSA-N 443.458 2.026 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 1304250892 WAYXLQFZLFHSTI-JOCHJYFZSA-N 425.489 2.236 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@@H](COC)OC 1309194754 UIEYPFKZJNGNGF-ZBFHGGJFSA-N 432.336 2.199 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2)CCO1 1315011956 CPWTWSMTZXVSNW-ZWKOTPCHSA-N 426.546 2.054 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1315164692 GPJRBRMWWWACSM-WZONZLPQSA-N 440.548 2.065 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1316504738 FDEIKKDEWSLBMD-HNNXBMFYSA-N 431.500 2.363 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 1350294423 FXKYMJZHKPODEK-INIZCTEOSA-N 436.559 2.470 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1358944002 DBTKRTGMWIDZTH-GOSISDBHSA-N 427.549 2.390 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1358962666 UOKLZNKAQHMILJ-IBGZPJMESA-N 445.589 2.338 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1358963126 CEXVILUSNHHEJJ-IBGZPJMESA-N 430.574 2.469 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358965079 NKCOCFVJMMTWRA-NHCUHLMSSA-N 442.585 2.229 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCOC1 1359002706 JSEUTTBVUZDWQV-IBGZPJMESA-N 435.322 2.327 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)c1nccs1 1359023740 UORRKEWSRPNRHD-CQSZACIVSA-N 428.518 2.352 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(=O)NCC)CCC2)CC1 1359033730 NQQLKIGIGDYJCL-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359037240 AWQBKFKAXAMTCS-LJQANCHMSA-N 428.581 2.385 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359302172 YLBGBKPYLKOSDR-CJNGLKHVSA-N 441.429 2.466 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C2CC2)C1=O 1359929497 HNXCIJVASIQBJB-VGOFRKELSA-N 427.553 2.006 30 10 IEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1360153082 DZFOHUSYCZVMAL-UHFFFAOYSA-N 439.564 2.128 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1451640784 LHOSIXVGOZIIOP-RBUKOAKNSA-N 428.470 2.007 30 10 IEEE C#C[C@@H]1CCCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1452477346 QJWHIHGEIARMFW-QGZVFWFLSA-N 426.542 2.028 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](c1ccccc1)[C@H](C)O 1454101386 LBULAEZUDZWWTF-QSFXBCCZSA-N 429.542 2.378 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 1472001961 KXDCNMYITMLANR-LBPRGKRZSA-N 427.320 2.316 30 10 IEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1493064369 DBQOFZIBBHIVQX-JOCHJYFZSA-N 435.488 2.084 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)C[C@@H](C)O1 1504711672 GHEZOCCMMDQKOE-DYVFJYSZSA-N 425.518 2.265 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507584991 FGSRZPCBMMESBK-UHFFFAOYSA-N 437.592 2.222 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)COCC2)[C@H]1CCS(=O)(=O)C1 1507623184 PMOLNHNPBRVEIH-FQEVSTJZSA-N 442.585 2.323 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507635027 RXRSXBXMWZQNQL-SFHVURJKSA-N 432.594 2.089 30 10 IEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1CCN(C(=O)OC)CC1 1507656390 HEFGJCRQLLENNW-UHFFFAOYSA-N 435.528 2.451 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1507679032 FZHXIPFXZAPABM-MRXNPFEDSA-N 431.562 2.088 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1507807768 WGLYKSVDXWFWFU-FCEWJHQRSA-N 430.578 2.317 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507861826 SVIRLZCNCTVXHA-OXJNMPFZSA-N 443.983 2.472 30 10 IEEE C=CCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507953055 DKDMVWCHZABRMI-QHCPKHFHSA-N 433.597 2.445 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1507967897 OFDBATBQTXNVQB-OAQYLSRUSA-N 433.597 2.313 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1516685549 LZQBCKGSGPMBHD-QHCPKHFHSA-N 438.532 2.262 30 10 IEEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(O)CCN(C)C1 1518522669 CRQPCDBCKWKGHE-IERDGZPVSA-N 430.578 2.241 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ccccc3-n3ccnc32)cc1 1533500285 HQCZYKAQKLZXLU-IBGZPJMESA-N 435.509 2.482 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1534101703 WAFVENUMLKNJAH-RHSMWYFYSA-N 449.898 2.479 30 10 IEEE COc1ccc([C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccco2)cc1 1536403590 HWTAODJAFBGECI-HXUWFJFHSA-N 425.466 2.233 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1539379315 OBWBHTONPFMZRN-OAHLLOKOSA-N 430.306 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C)cc2)CC1 1539468839 JECPLIZHBXYRJV-IBGZPJMESA-N 439.560 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCn2nc(C)nc2C1 1539617424 WIRBZKJBEGFYRE-APWZRJJASA-N 442.568 2.098 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539661914 MVWWRPRTPMXUNR-UHFFFAOYSA-N 431.541 2.375 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1540874226 YVZFWYYJAMOSOY-UHFFFAOYSA-N 435.576 2.430 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1)c1cc[nH]n1 1546281107 RNSBBSCKFAVAGI-OAHLLOKOSA-N 447.923 2.298 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2n[nH]c(C)n2)cc(OC)c1OC 1554732458 BCCGGXDDWFLLOX-CYBMUJFWSA-N 440.508 2.236 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555492064 DYWWXDCBXMBIIX-KRWDZBQOSA-N 443.515 2.230 30 10 IEEE N#Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)CC2)o1 1555990203 XKUWWANSNFHGGM-UHFFFAOYSA-N 426.864 2.350 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](C)NC(=O)OC(C)(C)C 1564530602 GAPKXJDPFGXPLD-LJISPDSOSA-N 425.530 2.346 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 1566308226 OAVHWBOFLHNKET-OALUTQOASA-N 425.570 2.186 30 10 IEEE COc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)ccc1C#N 1570566660 NWXRFNYEIUEYMN-ZWKOTPCHSA-N 425.489 2.433 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)NCC)cc1 1587621203 PKFRJIIFVPNYLX-HNNXBMFYSA-N 434.500 2.262 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1587641040 WPNGKCKBFUNCLJ-BBTUJRGHSA-N 425.533 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(C#N)cc4)C3)[C@@H]2C1 1588148689 QVVPQFHBTZTNCM-KSZLIROESA-N 426.473 2.213 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1593895681 TYRWPHIFQAPBID-SJORKVTESA-N 432.956 2.384 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1594023493 JVMKHGXTLUTCNZ-XUZZJYLKSA-N 446.640 2.360 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1594498108 QHKXCVIROJENER-FVJLSDCUSA-N 438.594 2.167 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1595166783 XPSQVRKJPRGBSL-QFIPXVFZSA-N 441.605 2.460 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nncn1CC 1595303413 SPVWVLXOWQRYAU-GOSISDBHSA-N 425.493 2.089 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595399413 YHMFVVAQGPIZTL-MRXNPFEDSA-N 439.582 2.202 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1595614403 SYIYJIXSNNQATK-UHFFFAOYSA-N 438.576 2.369 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N(C)C)C1 1595699443 DLVDCAWSDFGGKD-KRWDZBQOSA-N 429.521 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)[C@@H](C)C1 1595805017 KLNDAVCAEQVUMP-BXWFABGCSA-N 432.546 2.484 30 10 IEEE C#CC[C@@]1(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)CCCN1C(=O)OC(C)(C)C 1597293099 NIERDYQAKHVFRO-QHCPKHFHSA-N 443.548 2.369 30 10 IEEE COc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1C#N 1597524820 BFQRRJLXONMGRY-UHFFFAOYSA-N 441.513 2.275 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F 1608191283 FFHRYESENRRMNX-IWLLYFRBSA-N 431.798 2.123 30 10 IEEE Cc1ccc(CSCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1612090847 DPOQMUFHYVDZOK-MSOLQXFVSA-N 426.546 2.200 30 10 IEEE CCN(CC1CCC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1615555185 ZHWABEQGFUTRJD-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nccn1C(F)F 1620100078 YECRYVYJUWFOPH-YEWDVWPNSA-N 425.415 2.084 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@](C)(CC(=O)OC)c2cccnc2)cc1 1622886451 GIGAIIBFWNDDSY-OAQYLSRUSA-N 446.529 2.488 30 10 IEEE COC(=O)C[C@](C)(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccnc1 1623828961 JLHZNTCTDHQXRZ-NRFANRHFSA-N 429.498 2.367 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1 1624503281 SLVXQYKZWAJZAF-UHFFFAOYSA-N 431.602 2.114 30 10 IEEE O=C(COc1ccccc1CNC(=O)C(=O)/C=C/c1ccc(F)cc1)NC[C@@H]1CCCO1 1624826021 BSGFMTCFPPNDII-JTPHSUOKSA-N 440.471 2.398 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNc2ccc(C(F)(F)F)cn2)s1 1631357694 DXEVDYLZUKCHRN-UHFFFAOYSA-N 448.492 2.397 30 10 IEEE C#CCOc1ccccc1CNC(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1631792064 ALJTZJXOOULPGN-SFHVURJKSA-N 427.476 2.250 30 10 IEEE COC(=O)[C@@H]1C[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 1636944400 BUFVUEOSKQERAX-VHSSKADRSA-N 441.509 2.022 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1638512558 GLVDKLPREKYPOA-QAPCUYQASA-N 435.546 2.379 30 10 IEEE C#CCN1CCC(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 1638678732 QUTUTMKSWKFOEP-CQSZACIVSA-N 427.364 2.073 30 10 IEEE CN1C[C@@H](C(=O)N2CCC(Nc3ccccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1647924647 HXBCSHSATVLBMA-IBGZPJMESA-N 441.532 2.039 30 10 IEEE C[C@H]1CN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1649562452 HQVVCAAELAICCY-SCTDSRPQSA-N 430.578 2.158 30 10 IEEE CCOC(=O)c1c(NC(=O)NCCc2ccc(C(=O)OC)cc2)c(C#N)cn1CCOC 1670537097 AEJRBFFQGYFYHS-UHFFFAOYSA-N 442.472 2.334 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)CC1 1681015265 SWXHRELXXCZBJZ-UHFFFAOYSA-N 434.606 2.057 30 10 IEEE CC(C)(C)c1csc(CC2(O)C[C@@H]3CC[C@H](C2)N3C(=O)NCCn2cnc(C#N)n2)n1 1682389836 PRYUSFZKWAFEAM-YLQYIJTPSA-N 443.577 2.214 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)[C@H]1CCS(=O)(=O)C1 1683711529 JHIKYXAJWOZWMN-KFKAGJAMSA-N 432.542 2.389 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)nn1 1683763192 RYFJQQRFGOJVML-GOSISDBHSA-N 438.454 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1cccn1 1689830665 BKBZMMCEIHWPKX-INIZCTEOSA-N 440.577 2.291 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689935506 IFFYGDVCRYAEMH-UHFFFAOYSA-N 443.555 2.297 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689985867 DCYFHNYAAAIMSK-SFHVURJKSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1689988507 QNFUXSIFCKFJJY-GOSISDBHSA-N 429.546 2.014 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSc2ccccc21 1690104035 KWUVJEBECGUZCP-DLBZAZTESA-N 446.598 2.156 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)CN(C)C)CC1 1690120344 RFWJXTZYIYJPBF-UHFFFAOYSA-N 446.603 2.474 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1690259776 WIZJTHSZLVRIJM-UHFFFAOYSA-N 439.969 2.336 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)CC1 1690411551 OOYUOPGNULOYOA-SFHVURJKSA-N 449.621 2.422 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1690607087 BYSNFGIQSMGQAI-IBGZPJMESA-N 440.548 2.460 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1694030858 QLDDIUQFWCQFFG-PFUTUXKYSA-N 429.569 2.237 30 10 IEEE COC1(C)CN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697214207 QSCMSERLSJHUND-HTXNQAPBSA-N 442.907 2.350 30 10 IEEE COc1ccc(C[C@@H](C)CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1697393812 ZAERGSISZGBYPG-YIYXVTKBSA-N 438.532 2.437 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CCCCCCO)cc1 1698487106 AGTRMTONNCJPDW-FQEVSTJZSA-N 437.548 2.410 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)CCO1 1698492514 CWWSVSRGCZFNMZ-CVSAEHQPSA-N 426.443 2.327 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1705480793 WEXXGDATSXUXOP-LJQANCHMSA-N 445.571 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705499106 LLCHHSPXNJQYES-HKUYNNGSSA-N 428.606 2.331 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705526306 IFHXUEPFLYBPQN-CQSZACIVSA-N 432.326 2.005 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCCC1 1705574954 UCAOSYYYZVSGDE-DEOSSOPVSA-N 441.576 2.184 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1CCOC1 1705584907 CKROOGJBWCJEKJ-QHCPKHFHSA-N 446.599 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(CC)CC 1705595997 OCCAQVQJIXKEII-UHFFFAOYSA-N 445.571 2.387 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccn(C)n2)CC1 1705635628 DXHYXTAOHWPGSN-UHFFFAOYSA-N 440.349 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1705646947 UQZYRKCNYNASOY-UHFFFAOYSA-N 442.527 2.069 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 1705705167 DRVOVOFPAGMOQC-UGKGYDQZSA-N 430.597 2.160 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1706070568 MOISJHJQQWHCJF-QVKFZJNVSA-N 446.939 2.263 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1706160444 YGVSZDDBOQKSPG-LRAJWGHMSA-N 447.515 2.071 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706529571 MAKCLQPDFKROIB-QQMHEVNUSA-N 439.520 2.051 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCN1CC(F)(F)F 1708193294 FLPIYCSADAMXJH-CYBMUJFWSA-N 432.410 2.321 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)cc1OC 1711732193 JWQVFBUFOVZPNN-KDOFPFPSSA-N 426.521 2.473 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1712596340 QGXQDTMNQWXBQY-OAQYLSRUSA-N 441.532 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722384277 RUDJYJNPPIYHGV-LJQANCHMSA-N 439.947 2.090 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccc(N2CCOCC2)c1 1722424623 SXAPTXFFLMZHKD-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 1722441056 NVRRTOOHVZUKTM-UHFFFAOYSA-N 434.588 2.221 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)C(=O)C1 1722491763 BXPGYWVAJKECAF-FXAWDEMLSA-N 429.521 2.123 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC)C1 1722623923 NYKTYESZMJHUSG-KRWDZBQOSA-N 428.493 2.408 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722628198 SYLGGLPRBSXKMP-INIZCTEOSA-N 445.486 2.270 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)nc1 1722630911 XJQFDYPHOWQZFF-UHFFFAOYSA-N 427.553 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1722697805 PWTFPHHTPVZFBJ-SFHVURJKSA-N 449.559 2.467 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCC)C1 1722699650 WSSRHRDHPNBAFP-LPHOPBHVSA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722701372 OEYUQDLJLGGAHY-RTWAWAEBSA-N 439.560 2.140 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](COC)OC)C1 1722714899 POYSAPWODIHQAG-HOTGVXAUSA-N 440.504 2.037 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC)C1 1722731454 LGLNONGOHHTQQL-MRXNPFEDSA-N 438.525 2.212 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1723391865 YSELHIQZJMATQA-SFHVURJKSA-N 425.537 2.480 30 10 IEEE CC(C)[C@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1723926805 CZYYPMMQZDVBGT-CGTJXYLNSA-N 438.598 2.079 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1728097563 UJHVPGRJQPKVEI-DVECYGJZSA-N 435.576 2.463 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1729316785 AYORLVZMVQDQLD-APWZRJJASA-N 440.939 2.364 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1730046193 LZMDHDCTBOXGCN-AWEZNQCLSA-N 429.502 2.336 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)Br)CCN1C1CC1 1731188268 DCEPUDWZICQNBJ-TZMCWYRMSA-N 445.312 2.336 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@@H]2CCOC2)CCO1 1731189103 JWFHBVLQBBVEFV-IRXDYDNUSA-N 447.486 2.319 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740597153 KAMXLEJPOUASKI-MRXNPFEDSA-N 426.546 2.206 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1740671104 ZKZSHQCHCRSSMB-VGOFRKELSA-N 433.553 2.004 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1740688230 NTDZGGKBMRGMDM-FQEVSTJZSA-N 446.573 2.219 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1740833019 KEPMGDOHEYAYKG-KSZLIROESA-N 438.642 2.411 30 10 IEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1741630948 NMZPFUFHQZYJGS-QHCPKHFHSA-N 440.548 2.065 30 10 IEEE CCc1nnc(N(C)Cc2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1744547601 ZLVWQMQBGAKFEF-MRCUWXFGSA-N 440.504 2.021 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(O)CCSC2)c1 1748695148 YTBPNLSRQBYUBA-QFIPXVFZSA-N 427.574 2.401 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749193986 VYJYHDZLWFQXKI-MRXNPFEDSA-N 447.561 2.057 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749348752 YHUTUQNDOYOUJI-INIZCTEOSA-N 449.602 2.107 30 10 IEEE CC(=O)N1CCC(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1749814455 JQHXFQCPNISFGI-JTSKRJEESA-N 432.569 2.316 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1750033245 BBFDJKRBXADPSV-IBGZPJMESA-N 434.504 2.418 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1750069324 GXQROJGJRBZAIF-GHTZIAJQSA-N 446.559 2.336 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1760111645 QEDURXINJHCCMK-OYHNWAKOSA-N 438.557 2.001 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1nc(CCOC)no1 1760152555 PQQWZUVLJYTMPO-UHFFFAOYSA-N 448.487 2.216 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1760186319 BPDKKWXNFZXSJT-SFHVURJKSA-N 429.546 2.014 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1760224950 DFCPXVRWQSMAFE-ZDUSSCGKSA-N 425.942 2.058 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC[C@@H]1COCCO1 1760482524 IQFHEWBZZZCLQA-HXUWFJFHSA-N 425.533 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C1CCN(CCC)CC1 1760552716 YTINNYLKNAUHEK-UHFFFAOYSA-N 434.610 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CC)C1 1760556691 MYHNDLUCNZBGGQ-GOSISDBHSA-N 434.562 2.094 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)O1 1764327482 ONTYOMKMLRCKOU-AUSIDOKSSA-N 438.532 2.355 30 10 IEEE CC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765122504 HFUFZMVGNTWBEQ-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766230622 UKMDIVZIURPEJL-UHFFFAOYSA-N 446.515 2.100 30 10 IEEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C)(C#N)CC1 1766938638 UOMPXLNUBPUIOJ-FQEVSTJZSA-N 440.548 2.499 30 10 IEEE CN(CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1767319680 CDJXEFNRQPAFQA-FQEVSTJZSA-N 437.548 2.159 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H](O)C1 1767360319 OFHSATCNHNLWEL-PKOBYXMFSA-N 431.562 2.239 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(C(OC)OC)c1 1767942591 HYSLRENJRPHFFU-HXUWFJFHSA-N 440.548 2.331 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@H]2CCOC2)C1 1770729408 ZANNJKQAUCHZOA-FXAWDEMLSA-N 430.440 2.491 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(Cc4ccncc4)n3CCOCCCO)CCO2)c1 1770736308 YXLSXDZKJSHNST-JOCHJYFZSA-N 448.527 2.112 30 10 IEEE Cn1c(SCC(=O)N2CCN(c3ncccc3C#N)CC2)nnc1-c1ccccc1F 1851141150 DCPPYAOZVKGHDM-UHFFFAOYSA-N 437.504 2.329 30 10 IEEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2c(C#N)c(C)nn2Cc2ccccc2)CC1 1851780643 JDIIPPSZZLKPHX-UHFFFAOYSA-N 437.500 2.242 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 1851875971 RCQZXDNGZCIQGE-AWEZNQCLSA-N 447.948 2.169 30 10 IEEE O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853034913 FVRCPXXSQZXNMT-UHFFFAOYSA-N 442.419 2.171 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1853679060 BNHPUAVUBYKYQI-LJQANCHMSA-N 435.521 2.133 30 10 IEEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN([C@H](C)CCC#N)C3(CCCC3)C2=O)cc1 1854498873 XMFKXPRVUUKXMK-GOSISDBHSA-N 431.558 2.445 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1Cl 1854604299 LXYYIIHOPMBFMD-CQSZACIVSA-N 431.901 2.202 30 10 IEEE CC(=O)N1CCC[C@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)C1 1854608987 SAAIBQVVWDSFFX-CRAIPNDOSA-N 430.936 2.337 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CC(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)CC#N 1854694954 VAACXKOOOPQILP-QGZVFWFLSA-N 425.510 2.121 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)C2=O)CC1 1857067815 JEVJOIXFKIVKGQ-GOSISDBHSA-N 427.867 2.309 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1F 1857494445 KTKOTMIZUHDCTP-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCCN(c2nc(O)c3cc(F)ccc3n2)CC1 1858577504 RLDIZSVXDSITET-UHFFFAOYSA-N 427.461 2.247 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2)cc1 1870107550 NRACLOQBGUSCBR-UHFFFAOYSA-N 430.877 2.475 30 10 IEEE N#Cc1ccc(COc2cn(CCO)c(CN(CCO)Cc3ccccc3)cc2=O)cc1 1870350568 MBHKFKPYNFKUDG-UHFFFAOYSA-N 433.508 2.286 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cc(Cl)ccc1O 1874435310 YPEGCXOWYWEBIA-QPSGOUHRSA-N 439.925 2.447 30 10 IEEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1F 1890213172 HTNWOYVEYPMODP-UHFFFAOYSA-N 445.579 2.414 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1890715696 GEKXXRLKUHUHIM-IBGZPJMESA-N 425.982 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060624835 COGGJIGOPVFPLB-IRXDYDNUSA-N 432.326 2.464 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2063353173 KRUABJPPUQHBEC-OALUTQOASA-N 432.370 2.446 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068510496 JKBPUZQEMBHVQX-VIKVFOODSA-N 439.372 2.107 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)CC(O)C1 2073756844 MEUWWAGJAPPATQ-WCEOPKCDSA-N 436.358 2.489 30 10 IEEE C=CCn1ncc(NC23COC(CNC(=O)OC(C)(C)C)(C2)C3)c(Br)c1=O 2162335414 PJOYVHHTNRQRDG-UHFFFAOYSA-N 441.326 2.430 30 10 IEEE C=C[C@]1(O)CCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 2195063139 GFXPGINMSPNXKE-LBPRGKRZSA-N 426.130 2.105 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](CS)C(=O)O 2229119787 GTPGCIMOUQRFQP-STQMWFEESA-N 447.351 2.384 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)cs2)OC1(C)C 2247861399 KQSXKYPYCDHEJN-QGZVFWFLSA-N 432.273 2.330 30 10 IEEE C=C(CS(=O)(=O)N[C@@H](COCc1ccccc1)CC(=O)O)B1OC(C)(C)C(C)(C)O1 2248582786 SYMNJOUOYCAIMB-QGZVFWFLSA-N 439.339 2.154 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2249668461 LJYJBZQINBPEJR-AOMKIAJQSA-N 439.553 2.123 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255539721 COWQXAPDWANKFZ-JLCFBVMHSA-N 429.326 2.120 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255595059 GPQRGXKPJAYARV-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620360 XULZSMIAPNBPBX-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE CCC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2255625822 XOOHZUASCDOKQF-CQSZACIVSA-N 436.362 2.143 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626558 HITWLLLXBUUTEU-CQSZACIVSA-N 434.346 2.038 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2255695317 CSTZOSNDLYCTRC-NYHFZMIOSA-N 429.326 2.120 30 10 IEEE CC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2255695900 MIFKNNMNSIJICK-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696482 UUBUNLXCVWZGRJ-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255939605 KDJZHMRAXKJXIE-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2266998862 JFYLCMNKTLBXNX-UHFFFAOYSA-N 443.353 2.464 30 10 IEEE Cn1nc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267124762 ACSWLCXECJZKBV-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267133642 FAIMDVTWVQWPRI-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267134938 WNCMXVQALFXGKV-CQSZACIVSA-N 446.357 2.038 30 10 IEEE Cn1nc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267138011 RQSMUAYFVMPTNE-QUCCMNQESA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2267141571 LAUJDLJARQUVDC-LZWOXQAQSA-N 446.357 2.084 30 10 IEEE CC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C 2267142090 PIHVCVWLFJEPQZ-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267142770 YTRBAAMAAHTRPY-LSDHHAIUSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267281806 XRGRLQBGOWVZSO-OSYLJGHBSA-N 443.353 2.224 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCCN1C(=O)OC(C)(C)C 2267501540 ZCWUWLNDALBICN-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267503561 FXNARHMJZDMQGR-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2267523753 GUVUJEFRXXRBTO-HOCLYGCPSA-N 448.373 2.330 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267548883 ITLJZGBNXGLKGT-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@H]1CC[C@H](C2OCCO2)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861565 PMTSMWTWMNEKGR-UONOGXRCSA-N 443.396 2.209 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)C1 2301495501 XRVSYVWOKGCFBL-WMZHIEFXSA-N 449.617 2.310 30 10 IEEE C=CCN(CC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2307256024 HMNVOIVILPSRJT-UHFFFAOYSA-N 441.525 2.380 30 10 IEEE CCCCc1nnc(SCC(=O)OC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331339885 IFBUHCYGICYRSX-UHFFFAOYSA-N 435.462 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2334270331 BARWHDQODXEPTH-DZKIICNBSA-N 446.357 2.084 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)n1C 2337184079 FHQCDDRXLXYMNU-GASCZTMLSA-N 448.373 2.061 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337200673 LICSAAWSFXXRGK-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2337291266 DFPHNVURMPEAAA-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3C#N)C[C@H]12 35894751 JYTRELRCKFLHPT-NZQKXSOJSA-N 449.511 2.487 30 10 IEEE Cc1c(C(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c(O)n(C)c(=O)c1C#N 38616038 NZDYKZBYJQGGAM-NVNXTCNLSA-N 425.491 2.355 30 10 IEEE COc1ccc(N2CCN(c3ncnc(N(CCC#N)CCC#N)c3[N+](=O)[O-])CC2)cc1 40611143 ITVVPDRSQSNZHK-UHFFFAOYSA-N 436.476 2.354 30 10 IEEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccc([N+](=O)[O-])cc2)C(=O)C(=O)N1CCOCCO 103129693 YOAIVUNEENTDDU-LAFOYAEKSA-N 442.424 2.034 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2=O)c(OC)c1 461275841 IYHJKTMRQYXJOM-HNNXBMFYSA-N 432.440 2.148 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cn(Cc3cccc(F)c3)nn2)cc1 468842671 FWXLTDSVLVYNOC-LJQANCHMSA-N 436.472 2.491 30 10 IEEE C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnn2)cc1 486507508 XFBCCINISOZKQS-IERDGZPVSA-N 429.484 2.300 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccccc3-n3cccn3)C2=O)cc1 510072143 OQXLKGGRZJVQFY-IBGZPJMESA-N 428.452 2.265 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 522541590 OJPGGGHQJBDXHN-NVXWUHKLSA-N 426.538 2.216 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 536117769 WVPQWDDNKCVRGM-UHFFFAOYSA-N 427.482 2.109 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2ncc(Br)cc2Br)CC1 543446176 FQZKDYQVHMZFCK-UHFFFAOYSA-N 432.160 2.026 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)CC1 558130861 PNWPRIMJYWYLPG-HZPDHXFCSA-N 442.486 2.394 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(F)cc3Br)CC2)n1 569398101 MDONAOICRXJOHZ-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2Cc2cccs2)cc1 576609765 KCWSDSLEPFFXGQ-SFHVURJKSA-N 436.541 2.359 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnc3ccccc23)c1=O 596188068 VOLQZOKROWYWOO-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)CN3CCOCC3)cc2C1=O 600570475 MKODLCDWMUNKKV-HXUWFJFHSA-N 433.508 2.142 30 10 IEEE Cn1ccnc1C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 610304393 YNKKKRXXZJRZCW-FQEVSTJZSA-N 437.525 2.326 30 10 IEEE C=C(COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 734027731 QYFILFGWBXPGSD-UHFFFAOYSA-N 429.800 2.300 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 741448581 BRKLMESXJRWGSU-GOSISDBHSA-N 434.537 2.247 30 10 IEEE Cc1ccc(/C=C\C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 755007259 DDGASNIJUSOLAY-SREVYHEPSA-N 447.451 2.415 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCC(=O)O 757264819 KXSGDEPTRMTJCY-NRFANRHFSA-N 436.464 2.134 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767749096 JWXVZMOVWDICSX-UKNXFACTSA-N 449.548 2.435 30 10 IEEE CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 782976217 GSWWKHDPHJKITL-JCYILVPMSA-N 435.550 2.084 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 783539770 SHWHVGWUACEFGL-CCKFTAQKSA-N 440.512 2.455 30 10 IEEE COc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)c1OC 789969180 URFSBZFEYRTPHU-OAHLLOKOSA-N 428.518 2.324 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC2(O)CCC2)C1=O 790012789 VFIPADQDGONNIH-KRWDZBQOSA-N 436.553 2.130 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)n1 791014893 BTUZVVHLWDQGSN-UHFFFAOYSA-N 429.420 2.099 30 10 IEEE C=C(Br)CNC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 793936547 KEMNMZUUEWWSTH-UHFFFAOYSA-N 425.323 2.193 30 10 IEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cc(OC)ncn2)CC1 800781332 FBICPJTVDHOXTI-UHFFFAOYSA-N 437.504 2.274 30 10 IEEE C#C[C@H](CCC)n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192353 PBPRRCXGTJLQKS-OAHLLOKOSA-N 430.559 2.068 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812055752 BCXLTGOYTKVXPS-OAQYLSRUSA-N 435.553 2.133 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812924143 GPFBGJMVOHDHHQ-GOSISDBHSA-N 435.452 2.482 30 10 IEEE CCn1c(CCC(=O)OCc2cccnc2C#N)nc2cc(S(=O)(=O)N(C)C)ccc21 813161554 HVTNEPPNONEUML-UHFFFAOYSA-N 441.513 2.249 30 10 IEEE COCC(C)(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 813563745 NBBNYCUMROUICS-SFHVURJKSA-N 445.589 2.230 30 10 IEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc(F)cc3)n2N)cc(OC)c1 1083957091 ZBSOQAZROGWOKU-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE CCOc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1 1084393468 GQJUDOAYRWZGND-UHFFFAOYSA-N 443.508 2.384 30 10 IEEE COCc1nnc(CSc2n[nH]c(NN=Cc3cc(OC)c(OC)c(OC)c3)n2)o1 1084573716 YYTDHIUIZQUDAX-UHFFFAOYSA-N 435.466 2.098 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nnn(C)n2)ccc1Cl 1127015784 BXJJVHOYZKKHOT-UHFFFAOYSA-N 432.893 2.497 30 10 IEEE COC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1132282672 YNVMIQZBICJPNF-ICSRJNTNSA-N 446.463 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1136097666 PYYZVRZPHAIRIG-INIZCTEOSA-N 444.598 2.332 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CSCCSC2)c1 1141802926 DENZDNARKOMIDA-MNDPQUGUSA-N 428.605 2.135 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@](CC)(C(=O)OC)c2ccccc2)cc1 1142080459 GBYNQHMCMBMHLI-QFIPXVFZSA-N 430.526 2.402 30 10 IEEE CCN1CCN(CCCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1144198022 RQMUWARIFUQXDS-VIHQBZHPSA-N 447.624 2.307 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CN(C)CCN3Cc3ccccc3)CC2)o1 1149072641 PQCIPDCYYWHCFL-OAQYLSRUSA-N 436.560 2.004 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2nccc3c(S(N)(=O)=O)cccc23)C1 1163652603 VMUXWAOODZGZTD-KRWDZBQOSA-N 435.509 2.105 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1169292777 PUHXBHWJNAUGLV-CVDCTZTESA-N 433.508 2.045 30 10 IEEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1188600166 CNXUOJDVVOSWCM-UHFFFAOYSA-N 439.497 2.137 30 10 IEEE Cn1cc([C@@H]2CN(C[C@@H](O)COc3ccccc3C#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1195384648 AGHTZQQMIBWXST-HSALFYBXSA-N 441.532 2.024 30 10 IEEE N#Cc1ccc(-c2nnc(CN3CCn4ncc(I)c4C3)o2)cc1 1198070232 ALRBLNCTQZDWCI-UHFFFAOYSA-N 432.225 2.425 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCC1 1286286546 ZBIKYKBPCVHFJP-KRWDZBQOSA-N 429.594 2.182 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1286395651 SKJJXWLNHGRPJT-IRXDYDNUSA-N 447.561 2.054 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1286428043 IKGNRZAAPMZRBK-UHFFFAOYSA-N 432.572 2.372 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1286437331 DUNGUINBKJUXAY-QVKFZJNVSA-N 448.614 2.141 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccnc(OC(F)F)c2)CC1 1286482165 MUWFDBRQNQWCBM-UHFFFAOYSA-N 439.470 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC2(C)C)CC1 1286488060 KSIFBVXCTWXNLB-CYFREDJKSA-N 443.592 2.331 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CCCNC(=O)C1CCC1 1286531373 YIBZZWPGDCNIQJ-UHFFFAOYSA-N 441.374 2.068 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286633728 UBSGDHBQOWHHPW-MOPGFXCFSA-N 433.988 2.439 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OC)C1 1286800131 GMMDDPCGYVYBIQ-AEFFLSMTSA-N 449.577 2.035 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C(=O)NC)C1 1286803964 HVAHNSDMJGVDKW-INIZCTEOSA-N 427.505 2.227 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)c1C 1289092381 GYHQXEYSXSZRBB-LPHOPBHVSA-N 440.548 2.490 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1295991589 KCKXRFOXJWWIDT-SKKDUOPHSA-N 449.559 2.390 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1297626218 DDNZPCRLJZINEI-IBGZPJMESA-N 436.520 2.108 30 10 IEEE Cn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CCO2)cn1 1298825358 WSENJHZUYXFUJH-SFHVURJKSA-N 443.458 2.410 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1300457642 GYCCBLBJNNYYQD-INIZCTEOSA-N 432.569 2.234 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300489984 WVIMUTHLKDPLKQ-QUCCMNQESA-N 441.601 2.363 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1300501504 LQLZNAXZHDADNW-FQEVSTJZSA-N 428.558 2.052 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCNC(=O)c1cc[nH]n1 1300590819 GISBYSFOSMQJRU-UHFFFAOYSA-N 445.527 2.090 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1300601379 HGNSNCDAMAQXAV-KRWDZBQOSA-N 445.589 2.478 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1300609037 IBZPNPKPCOZTKS-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300763931 YDSYGTRRAOOOMS-WOJBJXKFSA-N 432.638 2.102 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300764174 ZBNBMYOJJZXQMY-LJQANCHMSA-N 441.605 2.272 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300989508 CLJBNZADGFNBKV-PXNSSMCTSA-N 441.532 2.475 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1300991515 OFCNLFVWBQMLEP-IBGZPJMESA-N 444.580 2.193 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1300993873 KDBISMVRWYFMTQ-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1301342056 RMGFLSZISWXQKO-IBGZPJMESA-N 443.573 2.141 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301529378 LLOJGFNLPUOJRZ-QGZVFWFLSA-N 435.532 2.349 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)CCc3cccc(C#N)c3)CC2)cc1 1301975118 MKKLWGGFGQZMRQ-ZHACJKMWSA-N 432.524 2.473 30 10 IEEE N#C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)C1 1303428055 GUJYNTWCOCBUBJ-CYBMUJFWSA-N 425.470 2.445 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCC[C@@H](C#N)C1 1310074665 HOFWHNMAAPPBTG-KRWDZBQOSA-N 449.577 2.321 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1COc2ccccc2O1 1316269899 PDLOLDJNKDGSNM-YLAKUSLOSA-N 427.505 2.438 30 10 IEEE C=C(C)C[C@H](NC(C)=O)c1nc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1 1339280843 KFSZOKYPRSCFNS-KRWDZBQOSA-N 438.488 2.192 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358957020 ONVQRUAWFWBUEW-CVEARBPZSA-N 449.543 2.303 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358959527 KYUSBRGMPGENND-QZTJIDSGSA-N 442.541 2.273 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCC[C@@H]1C 1359025720 XCBAYLMOECKFRX-KPDCDPCYSA-N 426.517 2.428 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1359107776 UWKQJZIHLPSTNK-AWEZNQCLSA-N 438.529 2.069 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1359113943 UGQBDYGCJICHLD-KRWDZBQOSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359215621 GEGPJCOMZUELMW-XLIONFOSSA-N 427.505 2.098 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1359241404 PMUGGEHATXGQML-KRWDZBQOSA-N 431.541 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359294278 PLEYLMUURONJDL-BTYIYWSLSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359296830 VURSPMYYUNPLLG-WBVHZDCISA-N 429.521 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(C)C)CC1 1359331673 FWIIZFYYJXRUMC-SFHVURJKSA-N 425.599 2.041 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1359588700 XHADUVQBMBPDDL-JTBPQFFMSA-N 432.506 2.129 30 10 IEEE C#CCC1(O)CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1460696090 QOXYGEZLCHIRLJ-GOSISDBHSA-N 433.574 2.038 30 10 IEEE Cc1cccc(CN2CCO[C@H](CNC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)c1 1462238908 UXQBUCLITGFVEC-JOCHJYFZSA-N 446.555 2.476 30 10 IEEE C=C1CCC(CNC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CC1 1462674759 MBLQBNGRNOMEGE-UHFFFAOYSA-N 445.541 2.438 30 10 IEEE CNS(=O)(=O)c1cccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1C 1465796808 JTZASESQKJUDGB-UHFFFAOYSA-N 435.546 2.492 30 10 IEEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1466590025 GFGYZRMIILYTSQ-HXUWFJFHSA-N 444.513 2.221 30 10 IEEE C=CCN(CCOC)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1469947759 IRYJVCIQPPMXSA-HNNXBMFYSA-N 438.491 2.314 30 10 IEEE N#Cc1ccccc1Oc1ccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)cc1Cl 1470605387 BVSDAUWRPQHAQI-UHFFFAOYSA-N 434.905 2.402 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC(NS(=O)(=O)c3ccc(F)cc3)CC1)C2 1471142151 AEWMSUZIVRFIEL-HXUWFJFHSA-N 442.516 2.317 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 1472070568 FPUZSGMCNHGLNM-SFHVURJKSA-N 427.482 2.413 30 10 IEEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1503170915 VCWNQQCNYVVBJQ-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC1CCOCC1 1503476105 FLJDURBRJXUERL-HXUWFJFHSA-N 438.532 2.323 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1504888199 KZNIXJDGWCCGQF-FQEVSTJZSA-N 440.548 2.033 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507552970 BMUPBFZRQNYIGR-HSZRJFAPSA-N 430.597 2.301 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOc2ccccc2)CC1 1507572048 WDDATOWPFJIZQH-UHFFFAOYSA-N 436.560 2.129 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1507630425 YPWZKZIQLKPFTN-QGZVFWFLSA-N 426.498 2.222 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N(C)C 1507699640 ITNUMMYRDPVZBL-UHFFFAOYSA-N 428.512 2.064 30 10 IEEE C#CCSCCn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1507758350 MPVGSJGISWGNHR-HDMKZQKVSA-N 448.511 2.453 30 10 IEEE CC(C)N(CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1509546821 IALJLOOSHDVTTG-HXUWFJFHSA-N 436.564 2.364 30 10 IEEE CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1516083177 GBHODCRKELSDRW-OAHLLOKOSA-N 434.566 2.211 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1518894902 DCWLFGHJYOGTBW-UTKZUKDTSA-N 429.546 2.069 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1525356501 IZXANOWDBNRPNF-IFXJQAMLSA-N 439.329 2.400 30 10 IEEE CSC[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1531717647 FIJVMQOQUROCKD-ZCNNSNEGSA-N 440.569 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1538977933 YNVNDIDTHACBCT-UZUQRXQVSA-N 439.516 2.393 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1539238542 ZMWRMCRYQWPDBC-XMMPIXPASA-N 436.512 2.017 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1539305388 ZEVPGKVAKFLHTG-UHFFFAOYSA-N 438.495 2.441 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(Br)n1 1539416720 SNCNSEIGGQMMMR-HNNXBMFYSA-N 434.338 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)cc2)CC1 1539481854 PAJNHMZCMMWJOZ-LJQANCHMSA-N 425.508 2.130 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1539570292 RBRRZGWKNUSHLQ-OIMFZILRSA-N 445.564 2.456 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1539628927 UINXBLJFKAYTPS-YLJYHZDGSA-N 425.537 2.021 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539743051 SUBCLDWHLIHZTC-GOSISDBHSA-N 448.593 2.007 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC)c2)CC1 1539828122 FRJQSDWEMFXHEH-OAHLLOKOSA-N 435.550 2.110 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1540151810 MUCHGPPLEMUREM-UHFFFAOYSA-N 434.342 2.352 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1541116663 SLWBBLFVRUPVOR-JKSUJKDBSA-N 434.541 2.097 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C(=O)OC 1544352482 XQJDSMZPFWPQLU-SFHVURJKSA-N 438.546 2.498 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CC=CCC1 1545532990 AJRBZOUDIZEXKC-SFHVURJKSA-N 437.596 2.294 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)CCC1 1547751588 DQHHEJJEQZYUCV-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE CCNC(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1547755739 BSQONZDJHORZDO-GOSISDBHSA-N 426.496 2.043 30 10 IEEE CN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1552723988 CKCGZPCQFBRBBC-NRFANRHFSA-N 443.939 2.080 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1554319829 IINZLHSKXGMWIT-GOSISDBHSA-N 429.546 2.257 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1=O 1554353845 JCWNLZJWHSSQRQ-HNAYVOBHSA-N 434.422 2.063 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1554429347 KFQSEVYOMGIHNO-RTBURBONSA-N 438.532 2.118 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)C1 1554531471 GHEVHMOEXGETLL-QGZVFWFLSA-N 434.504 2.211 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1554705115 OVMXUPHAODDRPT-UHFFFAOYSA-N 426.521 2.116 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1555499984 KREJYNYKPPCTDG-UHFFFAOYSA-N 433.516 2.487 30 10 IEEE Cc1nc([C@@H]2COCCN2C(=O)C2CN(c3ccc(Br)cc3C#N)C2)no1 1567511071 UESJZRBHKIOYNN-INIZCTEOSA-N 432.278 2.049 30 10 IEEE COC(=O)C[C@@](C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cccc(OC)c1 1569922992 XDYOPXWGXMLCKA-OAQYLSRUSA-N 448.472 2.340 30 10 IEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NC3(c4ccc(C#N)cc4)CCC3)CC2)cn1C 1586103579 WVRGCLGIEJGOAM-UHFFFAOYSA-N 441.557 2.197 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588058890 FBUDUWRVSPZGRT-INIZCTEOSA-N 436.965 2.372 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1CC 1588088797 AUIMYEHYSWZSQI-DEOSSOPVSA-N 438.576 2.298 30 10 IEEE C#CCSCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1589125402 KINGDJMAYUJYEL-AZUAARDMSA-N 446.665 2.321 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)OC)CC1 1589294824 AYUQLZQLQDOWOV-ZDUSSCGKSA-N 431.331 2.300 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)NC)C1 1589483282 OHCRRDWBUJFXFH-SCTDSRPQSA-N 446.596 2.140 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1594624818 BUQYMFFYXZKFKV-FCHUYYIVSA-N 446.640 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1595507173 YKUWZYYYMOBKRY-VFCRVFHLSA-N 446.939 2.068 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1595614501 VUZMDXXNCIDYDQ-GOSISDBHSA-N 435.532 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@H](C)C1 1595805023 KLNDAVCAEQVUMP-MDZRGWNJSA-N 432.546 2.484 30 10 IEEE C#CC[C@H](COC)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1595818887 ZTYVIONLLWHCKQ-LJQANCHMSA-N 430.526 2.284 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1598063649 XEFCIYLJBDCYFO-UHFFFAOYSA-N 445.518 2.366 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCSC2)CCOC1 1610430961 MSTURBGSBWXCNF-RTWAWAEBSA-N 435.594 2.317 30 10 IEEE Cc1ccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1611989791 BLSBNPRVHGMDLF-YADHBBJMSA-N 448.575 2.480 30 10 IEEE CN(CC1CCCC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1618082563 FMYSXQVYZIQAOU-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE COC(=O)CN(CC#N)C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1618330718 RNRIQXLBNXGTSM-CYBMUJFWSA-N 443.422 2.455 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CCO1 1619753311 AQPRHBGZUDBVOY-DSKINZAPSA-N 441.532 2.395 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(C)COCCO1 1619899660 DTXPWNIREVCXPG-QHCPKHFHSA-N 449.515 2.065 30 10 IEEE CCOC(=O)CON=C(C(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1cc[nH]n1 1625408288 OTEFDJWJQHGGCA-PKOBYXMFSA-N 441.532 2.378 30 10 IEEE CN1CCCC[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1627459279 RTJXJFFVUBWPAJ-ROUUACIJSA-N 433.350 2.416 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc(Br)cc1 1628542561 HIERGMLPWMOBPD-MRXNPFEDSA-N 425.279 2.357 30 10 IEEE CN(CCN(C)C(=O)c1c[nH]c2cccc(C#N)c12)CCN1C(=O)c2ccccc2C1=O 1628968386 DARDYBFTJIYXSD-UHFFFAOYSA-N 429.480 2.340 30 10 IEEE N#C[C@@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)c1cccc(Br)c1 1630698704 HOHYOYZQWVRGBF-IAGOWNOFSA-N 432.274 2.417 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCO1 1630762896 GITNNKJTGCVIIZ-HNNXBMFYSA-N 425.279 2.269 30 10 IEEE C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1631874095 NHEAUIAODMDACW-VXGBXAGGSA-N 433.324 2.142 30 10 IEEE COCC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1635270878 HMHHHUMNLWTYDD-BQFCYCMXSA-N 445.463 2.363 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 1635669465 MCQATPPIVGIDSO-HZPDHXFCSA-N 427.526 2.247 30 10 IEEE C=CCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OCC 1635699239 RSNCZWKFHCDFKX-HOTGVXAUSA-N 428.576 2.471 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccn(CC(F)(F)F)c2=O)s1 1636265618 FUOCIUJITWHYGM-UHFFFAOYSA-N 435.449 2.118 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1645088555 XIJAMMQNIGFBQN-IUKKYPGJSA-N 441.532 2.382 30 10 IEEE CCOC(=O)C1=C(CN2CCc3c(sc(N)c3C#N)C2)NC(=O)N[C@H]1c1ccco1 1648528988 ZBLUYHPFVGPHLZ-KRWDZBQOSA-N 427.486 2.024 30 10 IEEE CC(C)[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1CCN(C)CC1 1648600498 QZFJFFPGTJPSHB-PGPPMQCXSA-N 447.624 2.161 30 10 IEEE C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1652644268 ROYPAFNESKFEBC-FQEVSTJZSA-N 427.869 2.468 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)c(=O)n1C1CC1 1656801717 VNKBOQPLCQXSOV-UHFFFAOYSA-N 435.387 2.191 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)c1 1669741138 AMJCKSVWVPPEGX-GOSISDBHSA-N 434.315 2.138 30 10 IEEE CN1C[C@H]2[C@@H](NC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)CC[C@H]2C1 1685722758 PXZICXYTCROAGG-KYNGSXCRSA-N 425.512 2.037 30 10 IEEE CCOc1ccc(NC(=O)CN2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1687386771 RQFYDIBTCCNTRD-JOCHJYFZSA-N 447.539 2.390 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689991850 DKHGVIZLNIBNAH-RTWAWAEBSA-N 444.601 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1nc(C)cc1C 1690031773 XCRWHROTVFPCNI-UHFFFAOYSA-N 430.516 2.292 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCN(C)C1 1690096545 VOJUKEBRAAMGJV-GAJHUEQPSA-N 443.617 2.284 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCOc2ncccc2F)CC1 1690119620 LMUPMHVWVCJOLK-UHFFFAOYSA-N 436.491 2.322 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690156014 RCPOZYSKEBKIDM-HOTGVXAUSA-N 443.639 2.039 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1690163311 AQUKKVXJXBSKSE-JOCHJYFZSA-N 444.557 2.324 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1690411844 VRZRHDOGXGYROU-SFHVURJKSA-N 425.599 2.246 30 10 IEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1690467404 VVAYOYZAECVPAD-UHFFFAOYSA-N 435.598 2.014 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1690609757 YZFFXKVRXBNVFB-MSOLQXFVSA-N 434.562 2.435 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc([C@H](C)OC)n2)C1 1690685048 USMXMQPBVPLZMR-HOCLYGCPSA-N 434.566 2.410 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)C1 1690691436 DJRZIWFZZBDTRH-ZDUSSCGKSA-N 426.855 2.156 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1690747066 SBOPWGVVYGOITN-DLBZAZTESA-N 443.639 2.157 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCNC(=O)C(C)C 1692499600 JIJOFILOGWTPNW-UHFFFAOYSA-N 425.537 2.087 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CCCO 1692661772 NHPKNLSKFQXAKJ-LPHOPBHVSA-N 427.509 2.438 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705476774 FCGORGPZDJFRSL-YESZJQIVSA-N 449.552 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1705479621 KHHPIORSKCRCOR-CHWSQXEVSA-N 440.367 2.318 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC)c(OCC)c1 1705551859 SGUDMSSXQQVFDE-GOSISDBHSA-N 446.573 2.290 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1705559409 AGDIVRLCIFKUFA-DOTOQJQBSA-N 432.546 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCS(C)(=O)=O 1705595957 MPWDMLDRYYZBOD-UHFFFAOYSA-N 437.525 2.498 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705700095 OSOZCHBCAOAYHO-YRXWBPOGSA-N 433.553 2.478 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705811292 VCGKNPVQIXIDIJ-LJQANCHMSA-N 438.580 2.108 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)COC(=O)N2 1705814585 UGHHPBGQVANQQY-UHFFFAOYSA-N 445.545 2.394 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1705833143 WBPMGJDLBDMUEC-KZNAEPCWSA-N 433.553 2.430 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H]1C 1705877960 GCRALFDZCILWIP-HOJAQTOUSA-N 445.589 2.427 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705940151 XDPOZWQTBYIFNL-KRWDZBQOSA-N 432.594 2.025 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)c(=O)n1C 1707504541 IOOYHTYZKCHXRR-OAQYLSRUSA-N 448.527 2.399 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1710336198 GEMAMABKLSSWHS-GOSISDBHSA-N 436.564 2.153 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1710782588 FSXZJSATMMXKSK-GOSISDBHSA-N 436.520 2.251 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1710864553 YVAMJXLXLMFFFD-HNNXBMFYSA-N 428.518 2.036 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC(=O)Nc1ccc(F)cc1 1712454314 LQHOCRDJFQQOPL-INIZCTEOSA-N 430.484 2.316 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722387632 OGFJSXXMJZUFRH-JTAQYXEDSA-N 447.539 2.128 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1722436516 IJWHKDONUKFHOY-PMACEKPBSA-N 446.596 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1722497823 DRGBRXGJKRTAIW-IIBYNOLFSA-N 432.521 2.423 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722618903 OYKBNIPVHDKDQZ-GOSISDBHSA-N 428.562 2.496 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F 1722696558 BQQUBXBPENYJIC-OAHLLOKOSA-N 436.438 2.187 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2noc(CC)n2)C1 1722720692 OIXVWNPWQMNMHY-QGZVFWFLSA-N 426.525 2.109 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1722723509 ZGJKZINPJQPYLA-FQEVSTJZSA-N 439.516 2.052 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722727088 LJDFMQRVBIPZSW-UHFFFAOYSA-N 449.602 2.170 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@H](C)N2CCOCC2)cs1 1725280868 GRHUWMCJQAJGDK-MRXNPFEDSA-N 429.594 2.485 30 10 IEEE C#CCCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1740579560 UEVGKWKMCYAFIS-JOCHJYFZSA-N 431.537 2.201 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740619993 BIUHHGOCGMATKG-DLBZAZTESA-N 432.546 2.005 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740638448 JKAZSAUVFGSGMV-DHIUTWEWSA-N 433.556 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nccc(C(F)F)n1 1740641267 GHMUCAGJDWUUPE-UHFFFAOYSA-N 441.467 2.118 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@H]1C 1740654737 TWISOFVXGHJEKN-GOSISDBHSA-N 427.499 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccccc2OCCOC)CC1 1740705903 NZLVQGRBIYOVFG-UHFFFAOYSA-N 437.544 2.195 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740883899 JKVSYXVSXHNJGV-GOSISDBHSA-N 449.577 2.444 30 10 IEEE CC(C)NC(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1741691807 QNNGZWYLWGCRLQ-FGZHOGPDSA-N 432.569 2.363 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1743657759 SRCQFVOZSXUFDK-CLWJZODNSA-N 438.573 2.438 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCSC1 1743754595 XQYHBBBYGVUUCU-HRAATJIYSA-N 427.578 2.253 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@H](C)O1 1745000058 CMMBWDRARAHBFO-HNAYVOBHSA-N 431.500 2.363 30 10 IEEE CC/C=C/Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1745113778 PMHWIAXXOXVCON-AWUSRGSFSA-N 437.548 2.490 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1747356792 XCBAJNNCROCAPS-YLJYHZDGSA-N 440.548 2.221 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748807991 FQRTZTLBRSCPAR-IBGZPJMESA-N 447.992 2.321 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1748821653 RZVYENLMKKFBSS-MRXNPFEDSA-N 433.603 2.486 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCC(=O)N(C)C)CC1 1748978004 HKBAHMSZWXXGKX-UHFFFAOYSA-N 445.571 2.425 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OC)C1 1749222355 FEYLDFVLKWTSPL-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCS(C)(=O)=O)CC1 1749303633 MGYKNOUHPSRLSP-LJQANCHMSA-N 448.545 2.008 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1749559873 AOHHDYIWUYPCRA-DLBZAZTESA-N 433.582 2.149 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1749671528 DEUGOFNGVFHHCE-INIZCTEOSA-N 434.338 2.483 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)[C@H](C)C1 1749849817 QKXGVIPIRUWKQS-KDOFPFPSSA-N 430.459 2.298 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1749995135 NPDZTCLDIAZKCL-SFHVURJKSA-N 436.520 2.005 30 10 IEEE CC(=O)NCCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1750046227 MZNDVLWSWUZKSD-MRUHUIDDSA-N 449.531 2.017 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1752557877 NJDBAWVGGHEMLA-RCDICMHDSA-N 434.504 2.067 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1760110964 IQRKARALDHAQRR-MRXNPFEDSA-N 435.532 2.172 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nncn1CC 1760177822 PEJHKVFRNTUIAV-UHFFFAOYSA-N 430.310 2.349 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760181469 VVPWQCQEPSAROM-QGZVFWFLSA-N 426.498 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760271589 CXRRNTGDZMLTSP-KOSHJBKYSA-N 438.576 2.027 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760281878 ZPCKNCBNOFLHIQ-KGLIPLIRSA-N 431.484 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCC1 1760299086 GQJWIADKNWRZEN-GREBRCKQSA-N 429.565 2.397 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS(=O)CC1 1760518219 MSNNSZGKILJALZ-UHFFFAOYSA-N 428.345 2.123 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760518730 FCDKZTRAJQWJKO-UHFFFAOYSA-N 430.509 2.206 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CC)c2)C1 1760538585 UYRSIPLLOOVOGA-SIKLNZKXSA-N 430.553 2.365 30 10 IEEE Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1C 1761824456 NEMOBFFZIPKQLA-UHFFFAOYSA-N 443.529 2.468 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCCO1 1762694537 UMERTVKYTCEJFG-YLJYHZDGSA-N 438.532 2.069 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(F)(F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1768875383 UNUWUYMVBWTFFB-HTXNQAPBSA-N 444.442 2.326 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)CC2)cc1 1850867195 CRPUPMPXFXDTHL-UHFFFAOYSA-N 426.542 2.179 30 10 IEEE Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1852582124 ZEIFDJWQPBFVHJ-HZPDHXFCSA-N 427.505 2.224 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C(=O)C2 1853009556 FIFZEZJAIMWULD-INIZCTEOSA-N 427.457 2.214 30 10 IEEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2CCc3ccccc3O2)c2ccccc21 1856912540 ABMULCZMVBCOPR-IBGZPJMESA-N 425.466 2.003 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cn2)CC1 1858452373 DLUHIVNVPIEPRC-UHFFFAOYSA-N 437.481 2.309 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1 1862555856 JQUMAGLLCZFOBA-FQEVSTJZSA-N 425.460 2.318 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862563817 LSMUINHMXKDXRU-HXUWFJFHSA-N 439.468 2.088 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1F 1862628359 ZCYCOVONEPEAAG-LJQANCHMSA-N 444.390 2.408 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3SCC(=O)N(C4CC4)[C@H]3c3cccnc3)C2)c1 1889540728 MYJZJWLUUZOOMN-COPCDDAFSA-N 449.536 2.176 30 10 IEEE C=CCN(CCC(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1987530051 OLTLNXJLNINWRC-JKSUJKDBSA-N 427.542 2.286 30 10 IEEE COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 2042447130 UZQXPMJVDQXMCK-PBHICJAKSA-N 427.482 2.398 30 10 IEEE C[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2060636764 BFXLTIKTHGBLQW-ZFWWWQNUSA-N 432.330 2.360 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCCC(=NO)C1 2164486675 HREHQQXOSDHCDH-XOBRGWDASA-N 439.509 2.341 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2174780684 XERMWLRTMLDPNR-FQEVSTJZSA-N 429.498 2.015 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387558 WLPXXUWHBFQULK-RYUDHWBXSA-N 425.360 2.474 30 10 IEEE C[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C(=O)OC(C)(C)C 2243665041 PHFDMBIBEXKXTM-LBPRGKRZSA-N 425.360 2.314 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247863974 YRWABOFHYYEIBG-KRWDZBQOSA-N 432.273 2.330 30 10 IEEE CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412144 GVEWXTJGKPJRKT-GFCCVEGCSA-N 440.375 2.137 30 10 IEEE CCn1cc(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255816120 ZKNYMOQVGFOIFR-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267090451 DBNPAUMDARKLGE-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267142519 VOUUSXDCNPUHGL-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267288147 YYUWWZQAAMIKJL-USXIJHARSA-N 449.357 2.114 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267495801 QGLPFPHLXPSTIU-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)nc1B1OC(C)(C)C(C)(C)O1 2267502941 VQZOKXBCJHGXLR-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE Cc1c(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529528 MONVEVWUBGMVLN-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872474 JDNVXEZZVXFVMB-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268637542 DBQUXTXBBQEVJS-SFHVURJKSA-N 448.369 2.484 30 10 IEEE CCc1nn(C)c(C(=O)N(CCC(=O)O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2269072858 CUGPSHJVQKQZJU-UHFFFAOYSA-N 441.337 2.399 30 10 IEEE N=C(NN=Cc1ccc([N+](=O)[O-])cc1)S[C@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O 2297672164 LWWYOUKNMFDZLP-HNNXBMFYSA-N 441.425 2.217 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2312973863 SNLMABHGVAFJMU-YQQAZPJKSA-N 436.358 2.441 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccccc1O 2326821275 WUGZWTWPKBLBAF-UHFFFAOYSA-N 427.486 2.421 30 10 IEEE Cc1ccc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2327809559 HDISGFYMEJGPSQ-AWEZNQCLSA-N 438.305 2.257 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 24284841 GLSQDSYZLYNSMQ-UHFFFAOYSA-N 438.435 2.210 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)C)CC1 36211645 NMSFTBMQDLPPQB-NRFANRHFSA-N 429.517 2.101 30 10 IEEE COc1ccc(Cn2nccc2NS(=O)(=O)c2cnc(C)c(C#N)c2)c(OC)c1OC 427202997 HLSNRJWWQUNREO-UHFFFAOYSA-N 443.485 2.333 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)o3)CC2)cc1OCC 427998116 UUIPQRKIRGYPPY-UHFFFAOYSA-N 433.486 2.095 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCn2c(nnc2-c2cccnc2)C1 428250133 XOHUQNKJKTXPIO-UHFFFAOYSA-N 448.531 2.121 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1Br 433014870 UEGBVPSFAUQNDP-CYBMUJFWSA-N 440.294 2.082 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)ccc1C 446114694 VEAGFOCNLVVHOR-QGZVFWFLSA-N 426.538 2.134 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4cc(C#N)c5ccccc5n4)CC3)C2=O)n(C)n1 472487116 NUSYUDUSYKEHBN-OAQYLSRUSA-N 429.528 2.466 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 475582717 CHMCXZIXPUKLDT-IBGZPJMESA-N 426.542 2.331 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1-c1ccccc1 478733393 BDANSVMQHQUTCP-UHFFFAOYSA-N 433.508 2.406 30 10 IEEE COCCN(C(=O)C[C@H](CC#N)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N 483087954 VIHKCHFDNVVGJO-KRWDZBQOSA-N 427.505 2.254 30 10 IEEE COc1ccc(CC[C@]2(C)NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 513789448 IJNSOEVDQWXHIK-QFIPXVFZSA-N 441.509 2.284 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)c1 523578794 FKVONOJASPSYTK-GOSISDBHSA-N 426.538 2.216 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 549292109 NAEMHWXVNIUERO-HXUWFJFHSA-N 441.532 2.303 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4COCCO4)n3Cc3cccs3)CC2)c1 549568905 CWLGNONPXLMSFW-GOSISDBHSA-N 437.529 2.069 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 566825238 KXIBGENFAVBSRJ-UHOSZYNNSA-N 431.562 2.179 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 604002782 ZKWJNTRGQFIJRB-UHFFFAOYSA-N 434.546 2.252 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)cc1Br 618994588 CCBDTARVCGIFIV-OAHLLOKOSA-N 449.286 2.383 30 10 IEEE Cc1noc(CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)n1 729562390 BXKGXEUFNHWGNR-JJIBRWJFSA-N 434.522 2.335 30 10 IEEE C[C@@H](OC(=O)c1n[nH]c2ccc(I)cc12)C(=O)N(C)CCC#N 745475864 QNNIQVQWWLJLPN-SECBINFHSA-N 426.214 2.085 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc1 746639894 IPCWCJFRORCWBF-IBGZPJMESA-N 425.554 2.335 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 748410782 QKMGYBSLFWSCMD-RTBURBONSA-N 434.514 2.091 30 10 IEEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 750961727 LTKAVWVWHUHBKD-QHCPKHFHSA-N 431.452 2.089 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2Br)c1=O 758075589 KXOYKTPNRXERDK-UHFFFAOYSA-N 445.313 2.317 30 10 IEEE N#Cc1ccsc1N1CC[C@H](OC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1=O 764520052 CCLNGXBDDFMKIK-WBVHZDCISA-N 425.466 2.279 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)cc1F 769668540 QLKJGTDCTFXRPG-UHFFFAOYSA-N 441.506 2.336 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1F 773354033 FNBJYXFBBGTBTE-UHFFFAOYSA-N 430.230 2.176 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 774036311 MLBSBEFYHMXXGN-ZDUSSCGKSA-N 448.419 2.069 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 781658323 RUZBVDCUXFHALG-UHFFFAOYSA-N 432.530 2.490 30 10 IEEE COCCCN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1c(C)cnn1C 794841298 REXRZLVBQDQVJS-UHFFFAOYSA-N 447.586 2.481 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2cccc(Br)c2)N(CCF)C1=O 797807834 NRGGNNUXNFSQJN-CQSZACIVSA-N 445.358 2.418 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO2)CCN1C1CC1 802690461 IFBGDDFRWRGQHB-QZTJIDSGSA-N 426.496 2.352 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 812053767 YTKUNYULSWTFQS-NRFANRHFSA-N 431.521 2.492 30 10 IEEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(F)cc1 812750726 CZVCSHNZILLIPP-IEBWSBKVSA-N 442.468 2.254 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)NCc1ccc(F)cc1 1084090453 AZKCMBMDSXNSHT-UHFFFAOYSA-N 429.481 2.081 30 10 IEEE COC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1132282674 YNVMIQZBICJPNF-UYAOXDASSA-N 446.463 2.203 30 10 IEEE COC[C@](C)(C#N)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1137349215 KJZHDNNANROUGE-ICSRJNTNSA-N 435.571 2.285 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)s1 1137723398 TVVKOHZVIYKSKD-CYBMUJFWSA-N 431.580 2.032 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCC2(CCOCC2)O1 1157726482 WYVQRFRJLFCETN-QGZVFWFLSA-N 449.573 2.130 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)ccc1F 1169787510 JWCODSUWCGKJCN-CYBMUJFWSA-N 429.514 2.275 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2CC2CCOCC2)CC1 1176792711 HZXSNCFPUJPMPN-GOTSBHOMSA-N 444.551 2.052 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3c(F)cc(O)cc3F)C2=O)cc1 1178784757 FAPAWVKLKOVAMK-GOSISDBHSA-N 428.395 2.106 30 10 IEEE N#C[C@]12CN(C(=O)NCC3(c4ccc(C(F)(F)F)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1234339091 YRMKRFHNWLWSPJ-MAUKXSAKSA-N 427.448 2.317 30 10 IEEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)C1CCCC1 1252478247 BHJZNWKKKFJEHG-IBGZPJMESA-N 433.578 2.191 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286348431 WSXPCEHQLFCQOU-IBGZPJMESA-N 435.532 2.433 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](COC)OC)CC1 1286471232 HTRUSJDMNXAKDS-LEWJYISDSA-N 441.576 2.452 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1286479560 MVMWSKLEEKZRJM-UHFFFAOYSA-N 434.470 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1286493223 MFEYICBLWBJPPR-GBXCKJPGSA-N 443.592 2.171 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1C[C@H]1c1ccccc1 1288804820 HJSZQJDFDCLSFU-SNRMKQJTSA-N 428.562 2.432 30 10 IEEE CCc1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)s1 1292795599 GWQIDHDTFAMNSZ-GFCCVEGCSA-N 431.472 2.338 30 10 IEEE CS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1Cl 1292931408 XMJQJFQFNROUQJ-UHFFFAOYSA-N 430.866 2.432 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1299098897 VQPNPGAKTFYYQM-KRWDZBQOSA-N 445.483 2.204 30 10 IEEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)C(=O)OC 1299178481 GWMNETDJDNZMNF-LJQANCHMSA-N 434.558 2.066 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300367580 GCAGYZKUCAVPGK-UHFFFAOYSA-N 436.560 2.143 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCOCC(F)(F)C(F)F)CC1 1300692297 CRWSLXMGVNPRLG-UHFFFAOYSA-N 426.418 2.012 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301209108 LVEXUCKIINJIJN-QGZVFWFLSA-N 426.521 2.485 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301261527 HGMJCORLHALWIY-IPMKNSEASA-N 446.596 2.345 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1)C1CC1 1301317569 YAFRZIOXFROPKL-UHFFFAOYSA-N 431.562 2.387 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301416434 GRLXUEFRIWACHE-ZWKOTPCHSA-N 439.626 2.419 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1301484346 FSAXGPXDEUAGGC-HZPDHXFCSA-N 431.562 2.133 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1302195120 LQDXWOREBCWYJT-OKXSDPAFSA-N 443.573 2.217 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ccco1 1303878227 VVDSAVZQPAPZIG-WDYCEAGBSA-N 440.529 2.273 30 10 IEEE C#C[C@H](NC(=O)N1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1)C1CCOCC1 1313042436 GJADLTASDAPPKU-VQTJNVASSA-N 433.936 2.310 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(F)(F)F)c1 1358900923 WCOVQVOSTJAGKI-UHFFFAOYSA-N 434.422 2.133 30 10 IEEE C#CCCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936137 DVGZZFDLPWJFQX-OFNKIYASSA-N 431.581 2.033 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1358972719 QECRIJPOYBWYGP-DEOSSOPVSA-N 446.580 2.097 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC 1359060403 UPZUMSIZEKTMAO-LJQANCHMSA-N 427.574 2.153 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(=O)NC 1359102002 VKEBRROFNSSTJB-JTSKRJEESA-N 437.548 2.070 30 10 IEEE C=CCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359220755 IPIIJPVXMNDODQ-IXDOHACOSA-N 445.568 2.229 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2CCCO)C1 1359318913 OTSUFRHYHJADLT-WOJBJXKFSA-N 426.565 2.277 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@@](=O)CC)C1 1359323443 OZPKEFPLDJTUDB-PBYQXAPXSA-N 428.562 2.067 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359461927 NLCUBUMZPODHCB-WOJBJXKFSA-N 438.532 2.118 30 10 IEEE CCN(C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1443760608 NZXYJXJPWXAXLT-QGZVFWFLSA-N 444.598 2.236 30 10 IEEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 1452174051 FTQCEQQHPVELLQ-HXUWFJFHSA-N 432.586 2.389 30 10 IEEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 1460571163 QGIKQXFCKPKLRL-MRXNPFEDSA-N 426.970 2.156 30 10 IEEE CC(C)(C)OC(=O)C1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCCCC1 1469787108 MFLZJOOVKQGDMF-UHFFFAOYSA-N 435.546 2.387 30 10 IEEE CN(Cc1ccccc1S(N)(=O)=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1470671160 CYMILPABVUQWRK-UHFFFAOYSA-N 441.557 2.012 30 10 IEEE O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618597 ZWGIRXSWLFQLHX-UHFFFAOYSA-N 435.396 2.298 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1494672868 AIJNFUQSNWCNBI-LSDHHAIUSA-N 434.591 2.086 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C)(C#N)CC1 1498517571 BVGTWXTWIAHPMQ-INIZCTEOSA-N 445.568 2.485 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503530047 BDJOIUQOIFONIC-GFGLJSBJSA-N 426.521 2.101 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCCO)C1 1505312059 KAEASVJMUWXNIM-NRFANRHFSA-N 425.468 2.176 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CCCn2ccnn2)CCO1 1505322561 QKEZVGNKBRVLOR-AWEZNQCLSA-N 443.309 2.118 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1507514244 CGMGQKDWWMGAHY-GRDNDAEWSA-N 439.969 2.387 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1507515980 AELAIIPLIWFLID-VFNWGFHPSA-N 443.939 2.327 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CCCC 1507527125 GKUKZTFIVQLRTM-QGZVFWFLSA-N 431.610 2.428 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1507593137 XMQFRJCTOCOAPA-IBGZPJMESA-N 443.573 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCCC1 1507637382 JYZRXFLGOLJAEO-JOCHJYFZSA-N 430.556 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1507672944 JRULNHCUUZYABB-QFIPXVFZSA-N 432.572 2.475 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C(F)(F)F)CC1 1507723734 SGWBSZFSCOAOFK-QGZVFWFLSA-N 432.450 2.052 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1507740361 RJBDDNMJBCZADJ-UHFFFAOYSA-N 434.544 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)Oc2ccccc2)CC1 1507741208 MWYPCKMMAXUPCH-GOSISDBHSA-N 425.533 2.248 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1507743791 JTMMKFKTHCUQGA-GOSISDBHSA-N 431.537 2.500 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1507811527 AXAUAUYQJROQAO-CQSZACIVSA-N 425.530 2.487 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1507954628 OXBSYNVROQLJSM-ICSRJNTNSA-N 446.573 2.431 30 10 IEEE CN(CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1517321987 AQRXNCYMBMQWFJ-AWEZNQCLSA-N 442.417 2.219 30 10 IEEE C=CCOc1ccc(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1521038241 FIOBYVFNRDJQIO-HXUWFJFHSA-N 437.544 2.206 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cn(CC)nc1C(N)=O 1528973199 DLGJUWTUWDGSAV-UHFFFAOYSA-N 436.266 2.052 30 10 IEEE CS(=O)(=O)CC1(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1 1529086390 CTXAAOJFXUEYCM-UHFFFAOYSA-N 446.529 2.354 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OCC 1531936282 CFABWRZPEGUWHB-XJKSGUPXSA-N 445.969 2.250 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccc(Cl)cc1Cl 1538308406 DMSWLNLNFKQMLF-SGTLLEGYSA-N 439.324 2.498 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539024344 STAPEGIJMDGNSL-VQIMIIECSA-N 443.621 2.034 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(c2cccc(F)c2)CC1)[C@H]1CCS(=O)(=O)C1 1539230643 JPHOAITWLSVATL-IBGZPJMESA-N 446.548 2.312 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCC[C@@H]2C)CC1 1539462818 ZXZROCAKSPDWQU-FQEVSTJZSA-N 438.576 2.105 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCOC2)C1 1539526757 UQIQJJGRDIHXDT-HXUWFJFHSA-N 431.587 2.253 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1539751403 MQIMCMDVRNLCSK-SFHVURJKSA-N 439.626 2.084 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1540182062 HQJVYZWORWIICB-JOCHJYFZSA-N 430.574 2.015 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540874429 GLWVNXPJOKLYEG-HXUWFJFHSA-N 446.515 2.106 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@](C)(OC)C1 1540904303 LUELDRUSRZWGSQ-IBGZPJMESA-N 439.607 2.240 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C(C)C 1541696530 ADGIDVNTKBGBBR-JOCHJYFZSA-N 428.537 2.097 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)on1 1543437496 FUAMJYYHUQFWBH-CABCVRRESA-N 428.518 2.419 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)n1 1543692322 NZFKRENESCVSIE-HNNXBMFYSA-N 440.978 2.433 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1545760766 IESSMFRYXOMOKW-ZWKOTPCHSA-N 429.546 2.126 30 10 IEEE CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1546010121 GIHXWKWODAESCH-FQEVSTJZSA-N 449.563 2.158 30 10 IEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1547582501 COPGNCNQFXGHAG-HXUWFJFHSA-N 436.564 2.103 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547680134 CKZVOKPNVJLEOB-NRSPTQNISA-N 445.612 2.053 30 10 IEEE CCOC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1557304473 WFGZUKYERKBCCP-KXBFYZLASA-N 435.546 2.243 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)n1 1561531543 KMORLENNNPEWNW-HXUWFJFHSA-N 444.557 2.327 30 10 IEEE C=CCOCCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1565082298 BOUTYDHFFDACNM-SFHVURJKSA-N 440.585 2.469 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCN3CCCC3=O)C[C@@H]1C)C2=O 1565538611 AWTBFKCVPLJOGH-AMXDTQDGSA-N 448.903 2.376 30 10 IEEE CN1CCC(N2CC[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)CC1 1565684664 YZHDUAMWLSQEGP-FZQSFKQPSA-N 445.608 2.058 30 10 IEEE C[C@@H](CN(C)CCCN(C)C)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1584248759 UZYNSHHWFRNFHI-NUXKCHKQSA-N 435.613 2.161 30 10 IEEE C#CCN(CC(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1)C(=O)OC(C)(C)C 1587475528 VJZWWAQSJJGNOP-UHFFFAOYSA-N 438.502 2.076 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(C)COCCO2)CC1 1588779794 CYYAPXNNTQZTPD-JOCHJYFZSA-N 445.951 2.168 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1589150365 FIQHIDFOBBPIEJ-IIBYNOLFSA-N 431.562 2.246 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1589208297 ZDHQMQYVGOGPQU-SIKLNZKXSA-N 432.565 2.376 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1589484641 UVXKIMNALNJTFS-FPOVZHCZSA-N 430.597 2.127 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCOC1 1594807744 YNASMVCGUCCDRT-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1594858342 YYNDJESHRMWXMP-ACJLOTCBSA-N 427.958 2.072 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1595561802 CGXDCIQTOUEWOO-OAHLLOKOSA-N 431.562 2.134 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(NC(C)=O)c2)C1 1595665414 UVFCTWJXCXNWNH-FQEVSTJZSA-N 438.532 2.302 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1596806298 FPBISUWIXMOVNX-INIZCTEOSA-N 426.546 2.472 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCCN1CCCC1 1612883023 GUMJTLXQHVVXHM-GOSISDBHSA-N 437.596 2.438 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1613224617 XAJGTKNQUZSZBK-ASSNKEHSSA-N 425.493 2.119 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)CC1 1615885561 GORBWVGTKWSDSD-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1617260281 SLKRGLDWLVIHJY-OAHLLOKOSA-N 433.534 2.089 30 10 IEEE C=CCC[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1624303943 OCVSRVPKILQONN-CVEARBPZSA-N 435.525 2.478 30 10 IEEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)NCc1ccco1 1626297735 AYEAAULBDFWAMY-BITMVSNFSA-N 430.505 2.187 30 10 IEEE CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632637002 XEIYBTYHZBOEAN-UHFFFAOYSA-N 432.473 2.371 30 10 IEEE CC(C)(C)n1cc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(O)nc1=O 1634194626 SAQKLINUKHMUAA-UHFFFAOYSA-N 427.480 2.247 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)C1 1638075805 VGFVAGJQIVIUMF-OAQYLSRUSA-N 425.554 2.301 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)c1 1638988540 RQZUSRXKXMPEOT-OAQYLSRUSA-N 440.569 2.398 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C)[C@@](C)(CO)C2)cc1[N+](=O)[O-] 1640825595 ZNADMQRBTLGEBI-SPLOXXLWSA-N 427.461 2.471 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1nnc2n1CCCCC2 1658154972 ASFDOZIEBYNBPE-YLJYHZDGSA-N 439.539 2.203 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@H](OC)C1CCOCC1 1664194617 TZVQQBAIIHSTFW-LJQANCHMSA-N 444.594 2.093 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cc(O)ccc3Cl)CC2)cc1 1684887397 GWTFLDDYKJLIJJ-UHFFFAOYSA-N 434.905 2.133 30 10 IEEE COC(=O)C[C@@H]1CC[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1685595346 PSEZDNUNUMDVDR-ZBFHGGJFSA-N 442.495 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1689833440 KATXARNOAXRBFN-OAHLLOKOSA-N 446.349 2.414 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1689984583 RCLXBTUULKAOIH-IEBWSBKVSA-N 441.582 2.197 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689988947 ZGTUCELGYHIYHP-HZPDHXFCSA-N 445.520 2.038 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(OC)nc1OC 1690026599 FUMWWIJFSUXQOQ-UHFFFAOYSA-N 442.479 2.262 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CCS(C)(=O)=O)C1CC1 1690244239 VFQBRZOYNBSLKG-LPHOPBHVSA-N 433.578 2.278 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690321869 NMPWVCMMDKGDPD-PKOBYXMFSA-N 443.552 2.120 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1690527096 JIDKEZMGRNVSDE-IBGZPJMESA-N 444.561 2.071 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCN(C)C2)C1 1690687723 IDGWGYCTTJWZHE-PGRDOPGGSA-N 449.502 2.394 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)Nc1ccccc1 1698246611 WIEFZVAHVPWYHB-BPXKWBHBSA-N 442.495 2.473 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)cc2C)CC1 1705631838 AXSPQJYDWMYEGK-UHFFFAOYSA-N 447.518 2.371 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705663844 DVOJHJRQAYPOSM-PKOBYXMFSA-N 425.558 2.247 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705666085 NVCQVOYMFCWQAS-UHFFFAOYSA-N 431.537 2.283 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705737954 GJLFMOWHWIROOE-SFHVURJKSA-N 427.549 2.332 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705894992 QFLQMXQJUCWZKM-JKSUJKDBSA-N 443.577 2.338 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1705905128 KKFXSJZTHYEPNF-SBUREZEXSA-N 443.523 2.085 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1708516180 MSTWWQRPSZNYLL-KRWDZBQOSA-N 425.537 2.049 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1711606218 CRQWLRARSDKLQO-QFIPXVFZSA-N 436.520 2.416 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCN/C(O)=C1/N=CC=CC1=O 1711968864 PFFJJZPUSYGFJS-XGNMISCSSA-N 449.515 2.142 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1CC1 1712557630 UXCUFBVCKIJIMP-KRWDZBQOSA-N 425.537 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1722295904 WNLMHTFTUMSEKC-OALUTQOASA-N 448.612 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1722306744 VSOCTDRKCVIFRK-WNRNVDISSA-N 433.553 2.312 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1722344250 OAEAUFUBYXCXKU-OAQYLSRUSA-N 432.908 2.473 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722366164 GGDXNJDUXTVROQ-LJQANCHMSA-N 444.605 2.007 30 10 IEEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1722415999 WTZIAJVSZJIKSW-FQEVSTJZSA-N 430.574 2.499 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCO[C@H]2CCCC[C@H]2C)CC1 1722441097 PACCPWGMTKQPOM-KNQAVFIVSA-N 439.608 2.490 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCn2cccn2)CC1 1722442273 USPXSCYQHKAHJP-UHFFFAOYSA-N 433.560 2.462 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C2CC(C(C)(C)C)C2)CC1 1722447099 DUEHIGKKQZWSGL-ABHNRTSZSA-N 426.565 2.192 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1722467623 UMDBULLREIRFOX-VWKPWSFCSA-N 449.552 2.487 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722483472 AJEOKSVWXGXWRD-INIZCTEOSA-N 442.321 2.281 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1722595329 VZVBQSAFZLHMGS-RTBURBONSA-N 445.589 2.400 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1722631034 AUKIJFLVZLYRFV-NSHDSACASA-N 448.380 2.324 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](F)COC)C1 1722719720 YUWIGEOJSGQTBR-RTBURBONSA-N 445.543 2.218 30 10 IEEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726382213 WIUKWMWBJKUSRQ-QURGRASLSA-N 447.499 2.032 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1727279815 BYTICDVPKCSULN-CTNGQTDRSA-N 435.532 2.332 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1730461459 XQGFMVISDANDCM-SJORKVTESA-N 442.520 2.288 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1731179855 GREBFCNPCXTSEY-RADWXHQJSA-N 444.486 2.445 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1740534946 LEHLTRBVZCKQJK-DYESRHJHSA-N 438.594 2.134 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCOC(F)F)c1 1740561855 DCNDMXCQTNDKEZ-UHFFFAOYSA-N 443.458 2.364 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740620480 WRNIMAXPHQAQPM-WIYYLYMNSA-N 448.976 2.386 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1740643500 JMTHSMSILMHICJ-UHFFFAOYSA-N 430.512 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1 1740655934 GMSBQYYCRZGFJE-RTBURBONSA-N 426.542 2.111 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1740667106 QATTZJUISWTSET-UHFFFAOYSA-N 430.559 2.148 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)CC1 1740700265 MKHGHOZYPXGDLC-SFHVURJKSA-N 446.596 2.266 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1740706387 UJCIURATGYOLIY-NMMYMHLASA-N 443.592 2.486 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2sccc2C)C1 1740973596 ZVGNTPPNVWQWEW-HZPDHXFCSA-N 439.607 2.282 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1740984536 DIRBXMXPZGUTNP-IBGZPJMESA-N 434.504 2.170 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1746435148 DTHYBRNHHRUZDQ-VQTJNVASSA-N 429.613 2.328 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1748000513 OAJJYRLULKATHQ-JJCDCTGGSA-N 429.546 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCc1cnc2c(Cl)cnn2c1 1748641015 CJYNEHZXJPLHIX-LSDHHAIUSA-N 431.928 2.399 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1748664244 FGYDZBJVHTYABA-XMSQKQJNSA-N 426.590 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1748665611 SPWKRFJTQJGPRE-OALUTQOASA-N 431.544 2.462 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1748824952 UTVOZWHNVHGQAA-DLBZAZTESA-N 436.603 2.382 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1noc(CC)n1 1748888486 XIAPHUUGICODRS-UHFFFAOYSA-N 442.483 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1748892521 QFSRXSPTJKYEJJ-JOCHJYFZSA-N 449.555 2.364 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N(C)C 1748962537 KRBJDGHEWDXBRD-SFHVURJKSA-N 448.612 2.429 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC(C)(C)C1 1749668573 AEMPUELEUNHILH-SFHVURJKSA-N 441.532 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1749708208 ZHVARKWEQDFMEO-TZIWHRDSSA-N 425.581 2.147 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1750048573 PWRZAHQXEMMHSJ-MRXNPFEDSA-N 426.521 2.259 30 10 IEEE CC(C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1750657401 ZOUGTVVXNLUTNU-DHSYKJLNSA-N 432.435 2.448 30 10 IEEE CC(F)(F)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1751180800 NRRHGHMZEHEMGL-KRWDZBQOSA-N 430.459 2.403 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCN2CCC(O)CC2)c1 1760128679 PIBYCJBBNWIFNB-UHFFFAOYSA-N 436.560 2.059 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(C)c1 1760164857 BOHFJWCUWXBNOX-QHCPKHFHSA-N 425.533 2.127 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189846 XAXZCPUFZQYLPD-RTBURBONSA-N 438.594 2.352 30 10 IEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1760191105 ARNREKQAQPNKMR-LJQANCHMSA-N 446.573 2.137 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760215993 VWPZWYUBLWJJKU-UHFFFAOYSA-N 447.543 2.001 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1760229846 IBKMAIQRIWAZFV-HSZRJFAPSA-N 446.515 2.498 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCOC1 1760230147 SQXVVMBUKMGESY-IBGZPJMESA-N 435.322 2.327 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1760235498 OSPPTYOKZUMOPL-SFHVURJKSA-N 430.530 2.075 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760243256 DJZVEHMMCXBLGD-OALUTQOASA-N 431.581 2.441 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC[C@H](F)C1 1760247739 NDXZWYNZYDWGJG-IRXDYDNUSA-N 438.507 2.416 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1760258698 BFFZRXDDURZJOR-FDDCHVKYSA-N 443.979 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1760266112 QFCFMCFZNOAYLW-UHFFFAOYSA-N 446.511 2.446 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760333969 LGOSNFGBCGOAKQ-UHFFFAOYSA-N 440.552 2.336 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760399216 DGWCDVLRUYMEQG-UHFFFAOYSA-N 441.557 2.159 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1760431235 IOIIHUOZVMWLSS-UHFFFAOYSA-N 445.955 2.289 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2[C@H]1CC 1760522618 XQBGWGCFGBVUNX-GDBMZVCRSA-N 449.602 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1760548920 SKSDGOCERMIQPU-GOSISDBHSA-N 447.561 2.064 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1760558874 CYRDGWCVNNSUGR-UHFFFAOYSA-N 448.593 2.337 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1766229855 MDWYWARGCFEBNO-FMQUCBEESA-N 428.468 2.117 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC[C@H]2CCOC2)CCO1 1771539091 NGFGXFDBVNOILM-XLIONFOSSA-N 445.495 2.168 30 10 IEEE CCn1cccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1772880590 BOTCKDXALMREIJ-VGOFRKELSA-N 428.537 2.287 30 10 IEEE C=CCC1(S(=O)(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)CC1 1848458525 NZFZYUCYNHEQSP-UHFFFAOYSA-N 433.509 2.039 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cc1C#N 1849776488 NZKHKANYPWITMX-HXUWFJFHSA-N 441.557 2.002 30 10 IEEE C=C(C)n1c(=O)n(CCCC(=O)NCCN2C(=O)c3ccccc3C2=O)c2ccccc21 1851632700 AWLCJFGKUIZCGS-UHFFFAOYSA-N 432.480 2.486 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3nc4ccc(Cl)cn4c3Br)CC2)n1 1852246930 ZRLIKHYQDKULCP-UHFFFAOYSA-N 446.696 2.374 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ncccn1 1854533498 WEFMGHCDPRXGES-MRXNPFEDSA-N 426.498 2.325 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854637094 MARGCSALKWJLSN-HNNXBMFYSA-N 429.473 2.078 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(CCC)c(C(=O)O)cc3=O)cc21 1857883479 MNDPATQWRPEUMD-UHFFFAOYSA-N 426.425 2.130 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1859761264 XFPIEEULHUGYGD-UHFFFAOYSA-N 437.481 2.017 30 10 IEEE CCOC(=O)CCN(C)C(=O)C(C)(C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868795977 PKHOFDJSOYWAAT-QGZVFWFLSA-N 448.589 2.331 30 10 IEEE C[C@H]1CN(C(=O)[C@@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869929648 JXVLXKPWFWRCQG-ZRGWGRIASA-N 445.516 2.111 30 10 IEEE C=CCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCN(C(=O)OCC)CC2)n1 1871689535 JHUONPTURBJJQQ-UHFFFAOYSA-N 427.509 2.231 30 10 IEEE Cc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)cc(Br)c1O 1874531252 YZBSBELPZAFBMX-AYSLTRBKSA-N 449.128 2.277 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nccc(N(C)C)n2)[C@@H]1c1ccc(C#N)cc1 1889338887 AYNQQUOJLFEMKP-LEWJYISDSA-N 438.557 2.124 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN3CCCCCC3)OCC(=O)N2C(C)C)cc1 1890051094 TYYZLXIJVNDWCK-ZEQRLZLVSA-N 441.572 2.368 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 1902435741 OKKPVGLPRASZDT-OALUTQOASA-N 436.574 2.395 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1984914262 ZCUJYLSGLGHXOO-JYJNAYRXSA-N 427.542 2.332 30 10 IEEE C=CCC1(NC(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993341643 JDOMIEWMQRTYET-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060634267 XMAKAFVMPPDSQF-OAHLLOKOSA-N 434.342 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060825107 FIILWHRNCLWLER-VQTJNVASSA-N 438.532 2.082 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ccc(Br)cc1C#N 2118201733 UBKKKSCPIYNVPW-GOSISDBHSA-N 426.311 2.413 30 10 IEEE C[C@H](c1cscc1C#CCCO)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2186574173 UJODDHISXLGBSC-OAHLLOKOSA-N 446.550 2.101 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418852 MFKOTQWKOGKYDN-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247923132 SSDCZQRWIPUXFB-STQMWFEESA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255656576 CMQHMGIIBCXCJA-QCKZDCLWSA-N 437.321 2.439 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255823534 VTMFTRBXEFJMGS-SCAQPMJSSA-N 432.326 2.482 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256612167 CHIUVNGJDKSIBL-WBMJQRKESA-N 438.305 2.338 30 10 IEEE CC1(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267162096 KZUKNQYDJAMOHB-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267183569 OKMLLIJWTJQHCC-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267502513 OWRXMTWZFQRQAT-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519501 HVXIGUCLFHAZJG-UYAOXDASSA-N 436.365 2.066 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2267592481 DXUKGMLYZNGRNC-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871245 NEEXQWVAPVTDLB-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCO1 2268698467 AVJYCJVWPFQZKP-WBVHZDCISA-N 447.341 2.392 30 10 IEEE C#CCN(C1CCCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286020334 JXQGVJJFPLJAIW-IBGZPJMESA-N 436.530 2.052 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320555974 QROAUYOSRFKVRY-HOCLYGCPSA-N 437.321 2.343 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2)n1N 21315554 GMHIAYMSSGTKTD-SRZZPIQSSA-N 427.490 2.273 30 10 IEEE COc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 22945868 JOYMOGQOSJWTFZ-OAHLLOKOSA-N 427.432 2.443 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(C)c2)[C@@H](C#N)C(=O)N3)CC1 72444744 OTFDPGWMQZXFKY-IAGOWNOFSA-N 435.484 2.082 30 10 IEEE C[C@@H](C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)n1cnc(C#N)n1 409769604 UTBRKYZOLQSCIP-DJJJIMSYSA-N 427.461 2.159 30 10 IEEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431389003 FMDQSCTUUDZBEI-UHFFFAOYSA-N 430.595 2.159 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 441192574 WNFAAXTZGFSDIZ-KTIPNOMGSA-N 441.528 2.364 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1SC[C@@H](C)C#N 441237131 REWUSJYRJOXVAS-XFUZISPGSA-N 445.541 2.302 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2c(Br)cnn2C)c1=O 447278866 OOZADUBPFAKRQY-UHFFFAOYSA-N 449.374 2.100 30 10 IEEE CCOC(=O)CCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 482093681 HNSYTRGRWQRWAA-HNNXBMFYSA-N 429.498 2.359 30 10 IEEE N#Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1F 488665549 FIIZLEJVUKSPHS-UHFFFAOYSA-N 437.518 2.077 30 10 IEEE COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1scnc1C 489416464 TWLRGMRKPPIOKK-HXUWFJFHSA-N 445.564 2.448 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 491000819 XLBBTWKWKAZFSU-WIYYLYMNSA-N 430.512 2.205 30 10 IEEE CCN1CC[C@H]2OCCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)[C@H]2C1 502714859 ILNWNWYKOMGOSR-RBUKOAKNSA-N 439.516 2.344 30 10 IEEE CCN1CCN(C(=O)CC2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 503089451 WESDTYKSIYOXTH-HSZRJFAPSA-N 434.581 2.041 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508952999 SOGQARSQMOMGCL-JOCHJYFZSA-N 427.505 2.263 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2nc(-c3ccncc3)no2)cc1 522896340 QSUYLSVJGVSRMS-KRWDZBQOSA-N 434.481 2.476 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)n(-c2cccc(F)c2)c1C 532586720 ZHJIERNIUBSSML-INIZCTEOSA-N 432.521 2.410 30 10 IEEE COc1ccccc1-n1c(C)nnc1SCC(=O)N1CCN(c2cccc(C#N)n2)CC1 546196878 ZUDSKKPKEHWTFZ-UHFFFAOYSA-N 449.540 2.292 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 549677932 MNGCTRXOPIFDEA-QUCCMNQESA-N 445.589 2.489 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(Cc3ncc(-c4ccccc4)o3)CC1)CC2 550522571 HIFREQLAYMHBIE-UHFFFAOYSA-N 441.491 2.447 30 10 IEEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)N2CCCC2)cc1 585673642 MWAHQQWQWOLLTL-MKIGIDJNSA-N 434.452 2.266 30 10 IEEE C[C@](CNC(=O)c1ccn(C(F)F)n1)(NC(=O)c1ccn(C(F)F)n1)C(F)(F)F 671225685 IBFNTXLRUIAWRR-CYBMUJFWSA-N 430.284 2.351 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCCO2)c1=O 679754959 HRLSZWPLEZYUCM-GOSISDBHSA-N 438.549 2.360 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 729426833 ZIOIYMBTWBMAEG-CVEARBPZSA-N 437.587 2.018 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cn3)cc2C1=O 747290626 NKGNQURPSBIKHN-UHFFFAOYSA-N 439.371 2.001 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)NCCNS(=O)(=O)Cc3ccon3)c2)s1 750280130 GHTSAJYUQKJLPD-UHFFFAOYSA-N 445.526 2.194 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 750709474 XFBNVIVYEUIFIV-IBGZPJMESA-N 442.472 2.039 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 757595790 UGQDVKSJIUQSHY-JKSUJKDBSA-N 428.489 2.067 30 10 IEEE CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)[C@H](C)C1 760753274 JISIMKPAQCERJL-LTRAUPRXSA-N 449.577 2.364 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CC1 768013175 XYYUOTJQLZGZGL-UHFFFAOYSA-N 435.484 2.092 30 10 IEEE C#CCN(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCS(=O)(=O)C1 774207817 AYKDFSNRFNSEHD-ROUUACIJSA-N 441.956 2.275 30 10 IEEE C=CCN(C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 778554623 UNWMLQFWRBJCSG-OAHLLOKOSA-N 432.608 2.321 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(-n4ccnc4)cs3)c2=O)cc1 783944457 JLGHWIZERRFTGD-UHFFFAOYSA-N 431.502 2.181 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2nc3ccc(OC)cc3s2)c1=O 788768573 FAYOVUWRVHEUCK-UHFFFAOYSA-N 435.530 2.034 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)n1 788854811 TZCBGJQIGQNXNX-UHFFFAOYSA-N 432.908 2.342 30 10 IEEE CC(C)CN(C(=O)COC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CCS(=O)(=O)C1 789123223 CKUOIENECMVOHW-QGZVFWFLSA-N 445.497 2.042 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)n1 789323856 VFYGVIVBCWXVRX-UHFFFAOYSA-N 434.422 2.499 30 10 IEEE Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1 798740868 DHWQSWVBDZUGHC-INIZCTEOSA-N 446.467 2.131 30 10 IEEE Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 803551125 QYWQZQOYXFMURF-ROUUACIJSA-N 425.489 2.146 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 803921685 AHJPRFYAYIBWED-UHFFFAOYSA-N 439.399 2.392 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCN(c4ncccn4)CC3)c2)s1 807248550 BCBGQVUSKKLDSX-UHFFFAOYSA-N 432.509 2.042 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812431824 QEWUGBZBOTVIMW-ZACQAIPSSA-N 434.541 2.361 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)c(OC)c1 819480927 HFBJRQRBAQPFTE-HSZRJFAPSA-N 434.496 2.458 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)n1 856713269 GPOMDXPPCLQOFU-LJQANCHMSA-N 449.305 2.241 30 10 IEEE COC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1132282671 YNVMIQZBICJPNF-AZUAARDMSA-N 446.463 2.203 30 10 IEEE Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1S(=O)(=O)NCC#N 1147808539 BACNNUANROFZSG-UHFFFAOYSA-N 438.509 2.104 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1SCC#N 1162122410 ZBUDTCFIFDTABK-UHFFFAOYSA-N 434.499 2.261 30 10 IEEE N#Cc1ccc(N2CCC[C@H](N3C[C@@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)C2=O)cc1 1176951542 JETBJJSDCJPHCI-VDZJLULYSA-N 441.475 2.495 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1Br 1211414262 BFTLZEVGAADLAR-CJNGLKHVSA-N 443.294 2.223 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1286407390 KGYSELJGBPKQJA-GOSISDBHSA-N 446.511 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cn2ccc(C)cc2n1 1286421683 GJTUWCNLASCGDJ-DEOSSOPVSA-N 432.528 2.398 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccncc2)CC1 1286474066 YYYFZOVCZLICEC-UHFFFAOYSA-N 440.349 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCCS2)CC1 1286487994 JSBONWLHZWKOED-HKUYNNGSSA-N 449.621 2.254 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1286564245 FXRHEYQRWVQJCF-AEFFLSMTSA-N 439.626 2.417 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286775355 FCJHIJINIZNBRI-BGYRXZFFSA-N 437.592 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC1CC1)C1CCCCC1 1286819496 MLOPXEWDQIBFLW-GOSISDBHSA-N 435.594 2.379 30 10 IEEE CCc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1292474203 NMLWSQGCQKVDQR-UHFFFAOYSA-N 428.518 2.006 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc21 1293033525 YLVMDYAVZDZHMQ-CZIZESTLSA-N 426.473 2.240 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1(C#N)CCOCC1 1293574395 HSGFFLAUQPWQRM-IBGZPJMESA-N 447.582 2.429 30 10 IEEE CCN1CCN(CCCCn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1296203095 LHSOUDXIZXTWMK-OAQYLSRUSA-N 429.613 2.157 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCS(=O)(=O)C1 1300475493 LRYXGDVFXXLHHJ-QGZVFWFLSA-N 432.546 2.150 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300496092 NZSMBIYANRCQMM-UXHICEINSA-N 442.585 2.382 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC)[C@H](C)C1 1300743309 MFXOAMBLVJROKA-QGZVFWFLSA-N 447.630 2.245 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1301251939 JQWQNNSHGVMIGF-IBGZPJMESA-N 425.533 2.310 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H](C)O1 1301358462 BPAIEZCWCQHKLI-VQIMIIECSA-N 440.548 2.219 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1301859246 AMLKEAFPNUCPTC-CYFREDJKSA-N 447.543 2.442 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301969214 VPEMHKMGNPAAKJ-HOTGVXAUSA-N 434.541 2.062 30 10 IEEE COCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](F)(C#N)C1 1302220342 PVJDUELGUVAKPQ-NRFANRHFSA-N 425.468 2.440 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1302322500 SRPDMXDVORGGLI-NQARNYTMSA-N 440.573 2.079 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 1302617225 CVVNZSQMGXBWGH-UHFFFAOYSA-N 431.470 2.025 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC2(C)C)CC1 1303319780 USWNMULPVCRYHQ-LJQANCHMSA-N 449.559 2.036 30 10 IEEE CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1306645076 SZRDUMQXKSMIPC-UHFFFAOYSA-N 437.548 2.180 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)ccc2c1=O 1306898901 CKWGXSRSEKCKAD-CQSZACIVSA-N 433.555 2.101 30 10 IEEE CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)c1 1309150357 AZKKEHVCXZXWHE-UHFFFAOYSA-N 433.555 2.004 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)OCCc2sccc21 1316210595 PXNLHAFILSTXCU-VWKPWSFCSA-N 447.561 2.280 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2Cl)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1344051997 UTJINOKLPQLOAV-ROUUACIJSA-N 448.976 2.328 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1358885977 VIWFHHXPKKVNJC-ZWKOTPCHSA-N 433.560 2.382 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1358926731 ZPORJWLEDAUYRO-SFHVURJKSA-N 426.521 2.483 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966736 VUTYQOVMRFTBEN-LEDOBFOHSA-N 447.649 2.368 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359096417 BJBABYNJONUVKR-CTNGQTDRSA-N 430.597 2.127 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359125575 KFBRKHDEXUIKKI-ROUUACIJSA-N 448.568 2.268 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1359129392 AKICGDSRAPNUMK-UHFFFAOYSA-N 441.532 2.366 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359224726 APZZTKKYNKOAGN-IBGZPJMESA-N 441.580 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1359333443 YGTXTPASBXERJY-UHFFFAOYSA-N 444.561 2.218 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1359396432 ASJUTOBNWUUYSN-HXUWFJFHSA-N 438.532 2.356 30 10 IEEE Cc1cc([C@@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1361003435 USHIDYPKRCWHEJ-UTKZUKDTSA-N 442.545 2.480 30 10 IEEE COc1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)nc1I 1436893494 CZVHSGPBISKQOA-UHFFFAOYSA-N 436.209 2.286 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Br)c(C#N)c2C)[C@H]1c1nccn1C 1436938470 LXGPNBLRQRKYTD-IRXDYDNUSA-N 446.305 2.290 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1[C@@H](NC(=O)OCc2ccccc2)[C@H]2C=C[C@H]1C2 1466130406 MFKKRHZQRYXGRP-USNOLKROSA-N 448.527 2.372 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1 1468599205 GWEWFDKGHMDOQJ-UHFFFAOYSA-N 437.525 2.194 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1469508816 VORQUTVBMZIJLY-IRXDYDNUSA-N 429.583 2.266 30 10 IEEE C=C(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccc(F)c(F)c1 1469853764 MWWOHMYYSYZHAR-QGZVFWFLSA-N 425.461 2.021 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)c(OC)c1 1471984050 NXTGHAFXJAONQQ-ROUUACIJSA-N 449.511 2.426 30 10 IEEE C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@@H]1CNC(=O)OC(C)(C)C 1472187705 LJAXMDAIAYPQRU-QFBILLFUSA-N 449.573 2.482 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(=O)c1C#N 1472554199 AAWLXJMDERYXCQ-RYUDHWBXSA-N 439.310 2.330 30 10 IEEE CCCCn1c(N)c(N(C(=O)CN(C)[C@H]2CCC[C@@H]2C#N)C2CCCC2)c(O)nc1=O 1473708715 YECJOOLRSSOEML-WBVHZDCISA-N 430.553 2.231 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Sc3ccccc3)cc2)CC1 1478257315 BYIVXXJJGKPFMD-UHFFFAOYSA-N 444.582 2.133 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1504108843 FINGYUXVPINVJB-WMLDXEAASA-N 444.923 2.251 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1507521206 KZSJEGOZMCEEDB-KSSFIOAISA-N 441.532 2.344 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1507587937 BRESABVIQZQJSF-PMACEKPBSA-N 443.573 2.018 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507589607 MPSFLHMLMUNZPC-UHFFFAOYSA-N 428.496 2.410 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1507635069 PFOFWHYJXKRWSD-OAQYLSRUSA-N 442.585 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1507637240 OLADIPIIBMUZFH-IBGZPJMESA-N 432.528 2.135 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCc2ccccc21 1507673340 RCZNLQLBTBYJFK-HXUWFJFHSA-N 430.556 2.315 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1507679821 RMMPDBOURWBXOO-NSHDSACASA-N 435.497 2.476 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 1507748956 NVLJETFRHOJOIB-UHFFFAOYSA-N 440.978 2.208 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)C1 1507805650 KSACCUXNTKOUEI-PGRDOPGGSA-N 425.533 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1507812708 YQUYIOPUCSWKNJ-FVJLSDCUSA-N 441.532 2.159 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1507821192 WDFIXZPFNNLXOE-VQIMIIECSA-N 443.639 2.299 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nnn(C)n2)C1 1508118765 YOTGNTZRSHWBHU-PBHICJAKSA-N 444.927 2.425 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508837443 BBIWPQCUJMBUGE-NQIIRXRSSA-N 431.562 2.237 30 10 IEEE CCc1nnc(N2CC[C@H](N(C)Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513860923 LQMJRPXRNWMWFO-CWJYSFMFSA-N 449.559 2.078 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517760436 DNWYACACWSGDLF-IAGOWNOFSA-N 443.515 2.228 30 10 IEEE COc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)N(C)C)c1 1518380294 DMHBHOZOSSFATF-GOSISDBHSA-N 446.559 2.497 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539119153 HMVICEHYZKZALQ-VQTJNVASSA-N 442.608 2.155 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@H](C(F)F)N1CCOCC1 1539178207 FOJGQVGUGXRIJF-APWZRJJASA-N 447.486 2.216 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539201698 BWIXGYCFPSHSTP-LJQANCHMSA-N 429.590 2.317 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539210841 GTVPAXGTQBSCHQ-LJQANCHMSA-N 439.516 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCN2CC)CC1 1539480481 AALFEJLUVGNCPQ-SFTDATJTSA-N 442.608 2.012 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1539624311 SAYONUPIMBZFNO-IFMALSPDSA-N 438.576 2.184 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1539793151 MDLQXHMEJNACAK-UHFFFAOYSA-N 425.880 2.164 30 10 IEEE C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1540370966 MJOVDERLDOTBKU-XLIONFOSSA-N 430.549 2.066 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](COC)C1 1540864978 QQQSHPOOHPTPNP-KRWDZBQOSA-N 445.589 2.429 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCOCC2)C1 1540887974 HQPWHTPYSDKUHB-GOSISDBHSA-N 425.533 2.317 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1541116660 SLWBBLFVRUPVOR-CVEARBPZSA-N 434.541 2.097 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1541533347 XIWPATWUCFEGNF-GOSISDBHSA-N 440.548 2.458 30 10 IEEE CC(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1541691411 LGWDTUCKPXLXON-UXHICEINSA-N 438.532 2.494 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCc2nnc(C)s2)CCOC1 1547882965 BTDKFVTUTFRAKX-FQEVSTJZSA-N 431.566 2.463 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](COC(C)C)C3)n2Cc2ccc(C#N)o2)CCOC1 1547925048 XMXSMBYZFPLTSZ-UGKGYDQZSA-N 445.520 2.073 30 10 IEEE N#Cc1ccc(N2C[C@H]3CN(C(=O)c4cnccn4)CC[C@@]3(CO)C2)cc1C(F)(F)F 1548366635 ULGCIHBFZKTVBU-QRWLVFNGSA-N 431.418 2.328 30 10 IEEE COCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1555444587 ZWBQIBJGLGIDJI-PGRDOPGGSA-N 433.553 2.254 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)ccc1F 1556915921 ZMDIOGQODABDMC-HXUWFJFHSA-N 426.510 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 1560140374 OJWJQRPQYCXQGI-WMZHIEFXSA-N 426.517 2.375 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1565428418 ZIJGDHMASWYCQI-GASCZTMLSA-N 430.509 2.311 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1=O 1567743709 KGMHUEYTLZTMTE-NTKDMRAZSA-N 440.544 2.317 30 10 IEEE COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCC2 1584837312 YEDXCMMGHPNGDV-UHFFFAOYSA-N 427.482 2.258 30 10 IEEE COC(=O)CCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1586253162 PSMURLJHQHGSHG-UHFFFAOYSA-N 448.472 2.385 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1587562144 LSWVDAQXMZDVGI-LSDHHAIUSA-N 439.969 2.421 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCOCC1 1587574258 FIYVSNNXQXEHBZ-GJZGRUSLSA-N 435.370 2.225 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588029521 IQGOYADBNRMBSH-LJQANCHMSA-N 429.590 2.339 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(OC)C1CC1 1588200488 RLUMQJAKPLNEAV-QHCPKHFHSA-N 430.516 2.199 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588229636 ZYFQAHBPSPUJKI-BJKOFHAPSA-N 447.583 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)c2ccccn2)CC1 1588929873 IEIZFYNEDJQZPI-LJQANCHMSA-N 436.560 2.121 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1589059666 HOHAWHKFEJQBGT-AQNXPRMDSA-N 433.622 2.086 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1589133867 ALOZKPOWYMGHHN-IAGOWNOFSA-N 435.594 2.452 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1594803349 SMLGNYJWCKDJDX-OAHLLOKOSA-N 438.454 2.438 30 10 IEEE N#Cc1c(CCCNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)nn(-c2ccccc2)c1N 1595349670 IIYPWWRIAFCSHK-CQSZACIVSA-N 430.723 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595516218 BOHIQZZYTMNZAD-FDDCHVKYSA-N 425.533 2.330 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1595530199 WKMRXJMSMUXJBE-UHFFFAOYSA-N 449.559 2.221 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)C1 1595697651 BLZUNWXTJHLFPM-UHFFFAOYSA-N 426.469 2.484 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595778107 WUJSSISYIJVSBD-APWZRJJASA-N 441.557 2.301 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1617629687 WDYZZFSWOXDHEP-HKUYNNGSSA-N 439.520 2.043 30 10 IEEE CN(C)[C@@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1617651141 AQRHEGRCDDKDHF-DNVCBOLYSA-N 433.969 2.160 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1620000983 DWQPSBZWRGGBBI-XGRCMKMKSA-N 430.553 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@H]1C(F)(F)F 1620587946 FACPJXVJOZMASD-CHWSQXEVSA-N 426.399 2.194 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1623331706 WTPSTXJLKXDQCQ-SFHVURJKSA-N 431.489 2.384 30 10 IEEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C1CCN(C)CC1 1626637277 HQVRAYBFIJJKLK-VWLOTQADSA-N 432.524 2.163 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 1628324958 ZTAXNBXARFLRAW-FPOVZHCZSA-N 433.430 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCN(O)C1=O)c1ccc(Br)cc1 1628370466 SONSWXWAVOYDAK-OLZOCXBDSA-N 428.283 2.121 30 10 IEEE C#CCN(CC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 1631325200 CJBYTPHLTXYNNO-OAHLLOKOSA-N 430.423 2.432 30 10 IEEE C#CCN(C)CCCNC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1635738017 DOCNVEZLRTWQAD-OYRHEFFESA-N 447.624 2.199 30 10 IEEE N#CCCN1CCN(C(=O)c2cnn(-c3ccccc3)c2I)CC1 1635905964 RWPGMLBMARYVTG-UHFFFAOYSA-N 435.269 2.148 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC(C)(C)[C@H]2COCC23OCCO3)CC1 1638897808 KGEBNBICOMYBRO-GOSISDBHSA-N 436.549 2.169 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCc4c(C#N)cccc43)CS(=O)(=O)[C@H]2C1 1639545582 PMJJKGLYKMPFNT-SUMDDJOVSA-N 445.541 2.118 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)c1 1646129826 AXRBKJCABAOTPA-UHFFFAOYSA-N 435.546 2.280 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)[C@H](C)CCC)nnc12 1654703680 QWKFZAHXOOGYNW-ZBFHGGJFSA-N 429.546 2.236 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)CC1 1656068405 XXADKMQWOGNGSL-UHFFFAOYSA-N 430.320 2.083 30 10 IEEE COC(=O)[C@@](C)(Cn1cccn1)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1660535889 CSMJWSZUSWDTHZ-XMMPIXPASA-N 448.527 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Oc2ccc(Br)cc2C#N)CC1 1660824934 GYTVJJBWYLJZJK-UHFFFAOYSA-N 446.323 2.497 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(C#N)cn1CC 1672409944 FGBSCXHEDRPNNV-KRWDZBQOSA-N 438.488 2.264 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCC1 1684077690 IQAHHFLDLBXNGN-SFHVURJKSA-N 434.562 2.282 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)NCCn1cnc(C#N)n1)CC2 1686408133 SEIDGUGLPXBFTQ-MRXNPFEDSA-N 431.541 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)N1CCOCC1 1689824276 LTQIYTGPZRGMAU-IRXDYDNUSA-N 430.578 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1cc[nH]n1 1689837448 GNVBLJYRFKWFOH-NSHDSACASA-N 448.350 2.380 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1689943348 QILWYCASPASQST-HXUWFJFHSA-N 440.523 2.443 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689983843 HZTUEGAIPVVYOC-DLBZAZTESA-N 440.928 2.210 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1689986555 SGJFNZBUTCWBSH-QGZVFWFLSA-N 443.479 2.293 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689992983 SOHVBQZOSKKFBD-MOPGFXCFSA-N 444.532 2.327 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186457 QMUOKYLDVBFXOJ-XMSQKQJNSA-N 449.621 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690236595 OVSAJONLSGRGPI-AOIWGVFYSA-N 427.553 2.125 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)Nc2ccccc2)CC1 1690396870 OLZZXULJFLBYTP-INIZCTEOSA-N 446.577 2.320 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCOCC1 1690507861 YZEOXXOUNFJESS-UHFFFAOYSA-N 438.532 2.494 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690642216 BXCVAZVXIOBHEB-ZCNNSNEGSA-N 430.597 2.332 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690662203 UKOKJMQHOSLOQR-UHFFFAOYSA-N 440.548 2.139 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690722927 BAJMNLVKFWQAHO-VQIMIIECSA-N 431.562 2.253 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1693256424 CAZCDWYGFUHSMA-IBGZPJMESA-N 435.532 2.296 30 10 IEEE COc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H](C)N(C)C)c1 1697522385 XNCIJXZKZZFFKM-GOSISDBHSA-N 446.559 2.497 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1705517172 QAADCLXHNKDZRX-ZWKOTPCHSA-N 437.610 2.287 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567166 VFKUTYINSOFRJE-HOTGVXAUSA-N 433.603 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C 1705587360 RKKKAGKMTQAFRL-UHFFFAOYSA-N 432.521 2.282 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)OC)C1 1705657179 VYIMGTBQUIFTTN-QGZVFWFLSA-N 442.541 2.472 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1705676744 NAXZGIRFZWYKOF-XMSQKQJNSA-N 428.558 2.326 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNS(C)(=O)=O)CC1 1705764879 QKNNMSWAHOHLJW-UHFFFAOYSA-N 427.477 2.252 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1705797589 YVQQKLZAUQMTJC-QRVBRYPASA-N 443.573 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(F)cc1 1705938285 UCMBPEUWISSQQZ-MRXNPFEDSA-N 449.552 2.338 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705945571 NOYNOPPNLSFLOI-VQTJNVASSA-N 434.654 2.306 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(OCC(F)(F)F)nc1 1706069400 BVUADEILPFCBKT-CYBMUJFWSA-N 439.442 2.397 30 10 IEEE Cc1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)n(C)n1 1707803990 CVUDZDZCKCQAGC-RDJZCZTQSA-N 425.468 2.376 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN2CCCCC2)c1 1722308983 ILDVVULQXDYFLW-FQEVSTJZSA-N 436.560 2.324 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722318837 SKYZCIYOBLHJDZ-OAQYLSRUSA-N 425.581 2.244 30 10 IEEE C=C(Cl)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722558126 FNWNAQZKPRVDGS-FQEVSTJZSA-N 426.945 2.457 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722698503 GGDLSUUEGFGIMH-VQTJNVASSA-N 430.597 2.177 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1723773393 FHGHMZMOSFZQLP-MRXNPFEDSA-N 434.591 2.062 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1ccco1 1727001518 HPLUQULGQYFQOQ-QGZVFWFLSA-N 448.531 2.408 30 10 IEEE CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCC[C@](C)(C#N)C2)c1=O 1728539347 FNLYPQOEQAEEFA-VGOFRKELSA-N 428.537 2.362 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CCC1 1740540725 YIPBTXJAEPLQHW-OHZJNBGDSA-N 434.587 2.108 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740595286 QDRUFEVXBFMWRR-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1Cc2ccccc2O1 1740680111 RNSVUCOOSJUXRB-HYBUGGRVSA-N 440.544 2.408 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740696868 JCLANRVPZKBPIU-GAJHUEQPSA-N 429.515 2.453 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1740719400 LBFLJXFMYFSARD-IBGZPJMESA-N 440.548 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740758361 WWORAYTZGKUSQF-NSHGMRRFSA-N 425.537 2.021 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1741001226 OHYMRDDBYPXURS-SJLPKXTDSA-N 435.594 2.170 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H](O)C1 1747404597 FWOOKIRMNYGHJQ-PKOBYXMFSA-N 431.562 2.239 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1)[C@H]1CCOC1 1747657650 QWWVWBSNLMWJIK-IBGZPJMESA-N 438.532 2.260 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1748750187 AFQFVURYBFTWHE-NRFANRHFSA-N 442.608 2.110 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 1748751047 BEDHSHBPJDDNRW-QGZVFWFLSA-N 432.546 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1748855560 CINRIFAJYMLWOI-HXUWFJFHSA-N 440.569 2.372 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1748913700 YIXIWRFLLMAUAC-QFIPXVFZSA-N 428.489 2.197 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCCn1cc(Br)cn1 1748956785 ZXKSMNWOXKWNNK-UHFFFAOYSA-N 444.337 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1748965124 PDUJMAOTOHJCIL-UHFFFAOYSA-N 447.605 2.251 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1nnc2n1CCCCC2 1748965874 ZNCKTHNRURONQD-UHFFFAOYSA-N 440.577 2.086 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1749078345 IRMGLLBYIUPKPF-ZQMYSKGWSA-N 426.517 2.398 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749370444 JXYYNVBKKBFLPA-GOSISDBHSA-N 432.594 2.384 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749664610 UDOCSPYCHKFZQA-ZWKOTPCHSA-N 431.924 2.285 30 10 IEEE N#CC1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750385505 PLZPIEUMSFMRRC-VZCXRCSSSA-N 435.463 2.351 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cscc2C(F)(F)F)CCO1 1750388495 PKZNXTXMXCRMBC-CYBMUJFWSA-N 440.451 2.258 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCN2CCOC2=O)CCOC1 1751018631 WOSQGMZXBMZQJV-JOCHJYFZSA-N 446.552 2.291 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1751019300 XXOUZYPIUAYDPG-LEWJYISDSA-N 431.516 2.127 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760095642 UTXPDCSZNLLSNL-AWEZNQCLSA-N 440.495 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)C 1760201853 KRJRDEUMMRZQGW-HXUWFJFHSA-N 432.528 2.419 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760237078 UYLIWXKXPQUFEP-UHFFFAOYSA-N 443.555 2.072 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1noc(CC)n1 1760241358 XHPLNJTUOOAPPT-KRWDZBQOSA-N 437.479 2.196 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760280903 NIFVPTKIQUIALV-OALUTQOASA-N 430.578 2.296 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1760293662 ABSPWQOTTMCPOA-OAQYLSRUSA-N 447.561 2.213 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC)CC1 1760323190 BGSQEGVNVVMJKE-TZIWHRDSSA-N 441.580 2.083 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1760336513 ARBAYPQVDQCBFC-QGZVFWFLSA-N 425.599 2.450 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760351143 AJRFUCRZONSAKT-UHFFFAOYSA-N 436.516 2.203 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760352435 WLBBREZVNVHMJG-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760442286 LMXOWFSMGUUUFQ-UHFFFAOYSA-N 439.564 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccc(F)cc2)C1 1760533857 NPBTZRRDMORZIG-XXBNENTESA-N 443.523 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1OC 1760556312 ZOGXCVVQTGFSMD-SFHVURJKSA-N 434.562 2.418 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1760655483 HYJROPGVNLJZKI-IBGZPJMESA-N 449.559 2.215 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1761370458 BPEPUERDBDBOKW-MWTRTKDXSA-N 440.548 2.370 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)c1 1761725676 HFVXDWVIZYIOQB-BULFRSBZSA-N 429.496 2.456 30 10 IEEE Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1761763403 PPULETVSADVKHH-UFOSLELVSA-N 428.518 2.315 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1761997719 AXPLDSJFFXGKRM-AHRSYUTCSA-N 437.548 2.482 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@@H]1N1CCOCC1 1763082601 PZHCRVCSBMSQOX-APWZRJJASA-N 446.502 2.255 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1766183257 AALKRMNARHIHBD-LJQANCHMSA-N 437.548 2.084 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766855150 ICGAOPCNTALJOB-QUCCMNQESA-N 432.532 2.291 30 10 IEEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)C1 1767516357 XDZGSBJYOPJQLV-VGSWGCGISA-N 446.502 2.277 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CCOC)C1 1767558257 GETHLDJCNNLXBE-SFHVURJKSA-N 440.548 2.364 30 10 IEEE COC1(C(F)(F)Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1769695593 MTWBEUPJNMTHOC-HOTGVXAUSA-N 441.479 2.079 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccs1)N(C)C 1770216442 BPDZRTIDFFCRHA-ZMMAXQRCSA-N 446.577 2.095 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)c1 1770745931 GHKPZPOUJLFSDU-REWPJTCUSA-N 437.523 2.496 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1770803934 DDVUWHWMPHTZHQ-HNAYVOBHSA-N 432.475 2.451 30 10 IEEE Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN(c2nccc(C#N)n2)CC1 1851123832 REEUZIYTRRMFPD-LLVKDONJSA-N 427.818 2.435 30 10 IEEE CC(C)N1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851370746 WEDGNZVCMLIZKL-QFIPXVFZSA-N 440.569 2.000 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccccc3OCC#N)CC2)cc1 1851885786 ZMYGYCZEJGDGGM-UHFFFAOYSA-N 443.525 2.061 30 10 IEEE COc1ccc(S(=O)(=O)N(CC(=O)N2CCC3(CC2)C[C@@H]3C#N)c2ccccn2)cc1 1852925535 MOMXPANZGQKUKW-QGZVFWFLSA-N 440.525 2.438 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2nnc(C3CCOCC3)o2)cc1 1853311174 CNQXZYPYUWMMIM-FQEVSTJZSA-N 428.489 2.132 30 10 IEEE Cn1ccnc(N2CCC(N(C(=O)CC#N)[C@@H]3CCCN(Cc4ccccc4)C3)CC2)c1=O 1853487651 BUJHYHWNPVEQGH-JOCHJYFZSA-N 448.571 2.156 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnccn1 1854529785 QFDDUCJDEFMTPF-MRXNPFEDSA-N 426.498 2.325 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(-c3cccs3)on2)C1)[C@H]1CCN(C)C1=O 1857239551 CMCUBBMUNWVUFE-ZBFHGGJFSA-N 428.514 2.111 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 1862605947 HEUCAWUVQAVJMG-HXUWFJFHSA-N 440.427 2.311 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1864950399 NLICHVNRMWMOAS-MRXNPFEDSA-N 427.461 2.466 30 10 IEEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1866303584 CSPIBEILLYCDAK-CYBMUJFWSA-N 449.419 2.040 30 10 IEEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870383208 VUMOOEVYWQVFQL-UHFFFAOYSA-N 429.492 2.425 30 10 IEEE COc1cc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCC(N)=O)cc(OC)c1O 1874387859 IWPIUKSYCSPNDN-FOKLQQMPSA-N 441.513 2.360 30 10 IEEE C#CCN(CC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)O)C1)C(=O)OC(C)(C)C 2009845392 MCPBCSYAQRXZFD-HSZRJFAPSA-N 430.501 2.377 30 10 IEEE C=CC1(NC(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022844476 WHAOCEJCYMNORD-JOCHJYFZSA-N 439.553 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2060632784 FXNDMXMJCWXKNI-MRXNPFEDSA-N 434.346 2.396 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCCC(=NO)C1 2164486672 HREHQQXOSDHCDH-JLTOFOAXSA-N 439.509 2.341 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2232246966 XIAOWXWGCILFJL-UHFFFAOYSA-N 447.341 2.392 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2243753425 LVPGDOAVJJQODJ-UHFFFAOYSA-N 437.348 2.323 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCN)Cc1ccccc1 2247876636 SMHPKXVYBMYDFL-UHFFFAOYSA-N 430.379 2.444 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247986732 ZINZNBBQCJPQDR-HOTGVXAUSA-N 442.387 2.445 30 10 IEEE C#CCN(CC(=O)N(C)CC1(O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2249695882 XNLPXRAFVKJNBI-UHFFFAOYSA-N 429.561 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2255123458 RDWMAWMMEFBJBC-VVBPWWLESA-N 434.342 2.493 30 10 IEEE CCN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2255879474 POUWLKWZZAXRQS-UHFFFAOYSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021351 HSTNLPJPPAEZNN-JKSUJKDBSA-N 433.358 2.032 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256884132 DZXLMICUSCXSPF-XJKSGUPXSA-N 437.321 2.160 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267101635 ZJEYWYDKWVPOPT-HOTGVXAUSA-N 446.357 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267110896 KGDOIYINGNPIDB-MRXNPFEDSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139607 IVLMXZVEQMDIOW-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)n1 2267150932 WOSKESYIMBUCQD-HOCLYGCPSA-N 448.373 2.330 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267184332 UJGDQLFEHHQCQU-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267271363 RMRGNUVEBVPTOQ-SFHVURJKSA-N 446.353 2.352 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267291575 RWXHOYWGXILSHK-STQMWFEESA-N 444.259 2.498 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504327 QWJOGRBNLVUJCU-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2267512111 CXOOJTXPAROBEK-UHFFFAOYSA-N 448.373 2.229 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267518025 CAOQOOPRHWKAPX-QKDCVEJESA-N 446.357 2.369 30 10 IEEE Cc1c(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529530 MONVEVWUBGMVLN-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267759014 KZWPDHSPZAZKLB-BETUJISGSA-N 448.325 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268717036 ILWUKCJIGQDSFN-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H](CCO)COCc3ccccc3)ns2)OC1(C)C 2303617305 IKKGOLOLMTYXIG-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2N=Cc2ccc[nH]2)cc1 2330736047 HUYWJPBOHHNCSI-UHFFFAOYSA-N 425.518 2.418 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2334264678 FITGCYPCFKIYGU-UXLLHSPISA-N 443.353 2.366 30 10 IEEE Cn1nccc1C#C[C@@H](NN)c1ccc(Br)cc1I 2341991890 UDECBIYADVUKBH-CYBMUJFWSA-N 431.075 2.343 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3NC(C)=O)n[nH]2)cn1 59832273 CTWCAHSKQZQCCW-AWQFTUOYSA-N 439.505 2.322 30 10 IEEE CC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118934007 FUMLBBSUGDKFDL-WGFKBPOKSA-N 438.467 2.169 30 10 IEEE N/C(CN1CCC(NC(=O)c2cc(Br)c(Br)s2)CC1)=N\O 128576630 FVEQCHHWJYKODT-UHFFFAOYSA-N 440.161 2.214 30 10 IEEE Cc1nc(N/N=C\c2cc(Br)c(O)c(Br)c2)[nH]c(=O)c1CCO 169897755 FKZNTPSLNMOQBF-FMQZQXMHSA-N 446.099 2.290 30 10 IEEE COCCN1C[C@@H](C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)CC1=O 170509436 YKZFCHBHJXEXBW-INIZCTEOSA-N 432.484 2.342 30 10 IEEE COc1cccc(C(=O)/C=C2\N=c3ccc(C(=O)NCc4ccc(C)cc4)cc3=NC2=O)c1 211039055 OWDCDLUKOFIBNV-UCQKPKSFSA-N 439.471 2.480 30 10 IEEE CC(C)(C)OC(=O)N1CCN(/C(N)=N/Cc2ccc(Cn3ccccc3=O)cc2)CC1 303896473 UMYACNPIYLCWPS-UHFFFAOYSA-N 425.533 2.264 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 382612674 WTMQCHYHLGWZSP-QGZVFWFLSA-N 432.374 2.260 30 10 IEEE COCCN(CCC#N)S(=O)(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 409491517 ABFACCKYMWJDNI-INIZCTEOSA-N 441.554 2.167 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 435813974 OQQLGRGRJKGIMT-UHFFFAOYSA-N 440.481 2.031 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2)c(F)c1 481056471 TXNVRPGBTBGFDJ-UHFFFAOYSA-N 430.549 2.325 30 10 IEEE Cc1cccc(C)c1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 482999363 LMVQHLPRZNPPKP-UHFFFAOYSA-N 426.542 2.434 30 10 IEEE C=CCOc1ccccc1C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506860307 SZCYUYNSCZREPR-FQEVSTJZSA-N 437.544 2.247 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2)cc1 512409631 DDDVKMWOSXDFMM-QFIPXVFZSA-N 447.539 2.065 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 522194454 RMYRVFKVKRYSAF-HKUYNNGSSA-N 441.557 2.326 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 525266806 IACPUZRIAQYFTG-NHCUHLMSSA-N 427.593 2.431 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1COc2ccccc21 533169423 MCXOYAYBWZMDJF-JXFKEZNVSA-N 440.525 2.139 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)CCNC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n1 544863698 WIGPZJXRCCIKLO-UHFFFAOYSA-N 436.560 2.260 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(F)c(C#N)c1 562891064 IWEWZEUFDXQDJF-UHFFFAOYSA-N 446.504 2.284 30 10 IEEE COCC1(c2noc(C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)CCOCC1 581598887 ZZQRGQSWQDTPPH-UHFFFAOYSA-N 446.529 2.204 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1-c1ccc(F)cc1 603826077 BVFRUDRKCDXUTA-UHFFFAOYSA-N 431.851 2.080 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 647051764 LPOBDICZECZUTP-OAHLLOKOSA-N 431.537 2.196 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)s1 676726729 IHPVLXISGGGUEX-AWEZNQCLSA-N 428.579 2.442 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2C1=O 731502402 MDZDJRNYCDLKOP-SFHVURJKSA-N 435.392 2.339 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Oc3cnccn3)cc2)c(=O)n1-c1ccccc1C#N 743726612 RWGLFTWIRPHKPD-UHFFFAOYSA-N 448.467 2.380 30 10 IEEE C[C@](C#N)(NC(=O)COC(=O)c1n[nH]c2ccc(I)cc12)C1CC1 745475900 RBMNGPLEOHKBQF-MRXNPFEDSA-N 438.225 2.133 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 756677388 ZLRMEKOSRGXKLD-ROUUACIJSA-N 444.557 2.166 30 10 IEEE Cc1cc(C)cc(OC[C@H]2CN(CN3CCN(c4nccnc4C#N)C[C@@H]3C)C(=O)O2)c1 758350783 GOINRQIGXPLJLG-AZUAARDMSA-N 436.516 2.333 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 766801692 PGMQAKIUWZXOOD-UHFFFAOYSA-N 444.509 2.463 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 774011390 ZUWOTXWPQBFVPD-UHFFFAOYSA-N 428.470 2.431 30 10 IEEE C#CCN(C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774188028 RJEJMEFQUYXVEO-SFTDATJTSA-N 445.585 2.003 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(C#N)cc1 775919295 ITTQGYJBYBHDFZ-AZUAARDMSA-N 444.532 2.004 30 10 IEEE C=CCOCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc2c(c1)OC(F)(F)O2 779754510 PGFZRFHCYHGZSJ-AWEZNQCLSA-N 427.429 2.278 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 780205907 OJLWNVXXVWSNRZ-APWZRJJASA-N 447.369 2.441 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2scnc2C2CC2)c(=O)n1Cc1ccccc1 782625213 AUYILELUNKGHKX-UHFFFAOYSA-N 448.573 2.074 30 10 IEEE C#CCN(C(=O)N[C@@H]1CSc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 787395783 LTTBEEAHNAYYRR-GXTWGEPZSA-N 429.361 2.428 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 802557660 CVAHMIXWUXOONY-JOCHJYFZSA-N 426.521 2.243 30 10 IEEE C[C@H](CC(=O)NC1(c2noc(C(F)F)n2)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 816924904 AKGJIZSRQXNNMB-SNVBAGLBSA-N 439.444 2.020 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)c1 1084565952 RWDIQXNBOYCITJ-UHFFFAOYSA-N 427.446 2.330 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1125760717 FNBYKPLRLHQRKO-UHFFFAOYSA-N 449.554 2.263 30 10 IEEE C#CCN(C(=O)c1ccc(-n2cnnn2)cn1)[C@H]1CCOc2ccc(Br)cc21 1126150789 HUGGGUWDFVRTSX-KRWDZBQOSA-N 439.273 2.419 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]12C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2 1150872282 ZGVDQXARQHMVRT-DUQZYUJVSA-N 426.521 2.079 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 1170364418 DIEFMZOHXIVGED-HSTHGHQGSA-N 425.595 2.082 30 10 IEEE N#Cc1ccc(C2(NC(=O)CNC(=O)c3ccc(Br)o3)CCOCC2)cc1 1171272501 XXNDLHOBXCSNBK-UHFFFAOYSA-N 432.274 2.466 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2OCCOCC)C1 1213679353 CVMMXMIIEVNVFV-INIZCTEOSA-N 445.379 2.240 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccc(N3CCCNC3=O)cc2)C1 1233851381 GVSBQBYKFJXJAD-WMZOPIPTSA-N 442.520 2.165 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCn2ccnn2)c1 1286308841 DXIBHBXXFOTPBR-UHFFFAOYSA-N 441.499 2.078 30 10 IEEE C#CCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286359659 GPVUISMEBYBAKN-DEOSSOPVSA-N 445.608 2.281 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286390583 AZUUFTCCRPFIKB-LSDHHAIUSA-N 434.484 2.140 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286392732 MYFHFLBMMQBUAI-FQEVSTJZSA-N 442.585 2.417 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286556077 NFLYQJJKVSZXRB-AQNXPRMDSA-N 446.596 2.347 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1286561970 DFDPRHDHTIVSPD-TZIWHRDSSA-N 439.564 2.097 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286564310 MRYMZVKTUNXMBC-SBHAEUEKSA-N 445.589 2.259 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1286692508 IAOBZHJKWDQYTQ-UHFFFAOYSA-N 433.534 2.203 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cncn1)C1CC1 1286731285 GSIUPDBDOBZAIQ-UHFFFAOYSA-N 426.912 2.308 30 10 IEEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1286738673 ZKKJZYVYPNNREV-QGZVFWFLSA-N 431.562 2.305 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1286788338 UXGFPWFHUWSKCG-DLBZAZTESA-N 443.552 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286818714 MXTPJDJIYPJBAB-QGZVFWFLSA-N 443.577 2.002 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1286833246 XSGKAZGWHXBPIU-SJORKVTESA-N 428.624 2.352 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1288999268 LEMKQDFMESXVML-IAGOWNOFSA-N 428.924 2.166 30 10 IEEE COc1cc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 1299878348 GNUBQTZTXIXLHG-UHFFFAOYSA-N 449.515 2.254 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCCC1 1300471818 PZEAGPOWKLYGMI-UHFFFAOYSA-N 428.562 2.132 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1sccc1Br 1300663632 GGXFLLJCCYTUEJ-CYBMUJFWSA-N 438.351 2.188 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCOC)CC1 1300684875 BXJSFJBARKDLGX-UHFFFAOYSA-N 435.370 2.228 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300763925 YDSYGTRRAOOOMS-UXHICEINSA-N 432.638 2.102 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](NC(C)=O)C1 1300831058 QQLNXKJIGKZUBS-ZFWWWQNUSA-N 430.347 2.016 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1300984607 FYGFHVQPAIPJJO-MBOZVWFJSA-N 429.521 2.251 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CC2)CC1 1301480602 BJHPXRLRYZJBLY-KRWDZBQOSA-N 442.539 2.391 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@H]1CCOC1 1302685536 ICCIKKDMPRCPEX-LJQANCHMSA-N 439.564 2.438 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c(=O)n1CCO 1307389016 LWBNBFCPPCKVNQ-UHFFFAOYSA-N 428.448 2.214 30 10 IEEE CN(CCC#N)C(=O)CCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1307914771 PXNYAKNTLKQJFX-IRXDYDNUSA-N 428.430 2.424 30 10 IEEE C#CC[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccccc1 1312323105 WCBCIEJCHMGSCW-OTWHNJEPSA-N 447.557 2.179 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1)NC(=O)OC(C)(C)C 1316497645 RUCLMOFNSRBDMK-OLMNPRSZSA-N 440.504 2.291 30 10 IEEE Cc1cnc2nc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCCCN4C)c3)nn2c1 1350886265 ZIGZXHGWTSPDBS-UQQQWYQISA-N 441.517 2.278 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1358925233 YHQFJRDKTVOWTN-QGZVFWFLSA-N 431.562 2.133 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1358965108 NYQSHPWDNHWDRT-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1359026427 XOGGOJYCJVPJHW-GOSISDBHSA-N 436.482 2.234 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2cccc(C)n2)CC1 1359030883 JJEITUXEHPTUBB-XMMPIXPASA-N 438.576 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCSCC#C)CC1 1359041895 LQPXZGPLKJUROA-UHFFFAOYSA-N 437.569 2.286 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2F)CC1 1359058644 LDBKBWAZDRTZDO-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359203789 VZGIVLVSCHUKJE-MSOLQXFVSA-N 438.594 2.311 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359213668 CCCRFICPUDPJHW-MRXNPFEDSA-N 445.593 2.167 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@H]1C 1359261839 XPCJMLVTNCJKSX-SBUREZEXSA-N 443.523 2.272 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N(C)C)C1 1359317233 DYWAPVRBHPTGJX-QGZVFWFLSA-N 429.521 2.222 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CC(F)(F)C1 1360237414 DVWFZHRPXDFICB-UHFFFAOYSA-N 444.490 2.055 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1361120556 NARNDWWJQZHKKN-AVRDEDQJSA-N 426.496 2.353 30 10 IEEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)COc1ccc(CC#N)cc1 1460911036 CNBWBDRFTMDTLK-UXHICEINSA-N 433.549 2.450 30 10 IEEE O=C(NCC[S@@](=O)CC(F)(F)F)c1nnn(-c2ccccc2F)c1C(F)(F)F 1461517430 ZATFXCMITRFKCI-MUUNZHRXSA-N 432.321 2.466 30 10 IEEE N#Cc1cncc(S(=O)(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1 1464110988 CTYAOHFOWABULN-OAHLLOKOSA-N 430.452 2.155 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1464792091 LBRQNSLNKTZHSF-UHFFFAOYSA-N 440.504 2.230 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1464925248 NGPPDZWJMQADMG-ZGAGMJPPSA-N 437.418 2.297 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(c3cccc(OCC)n3)CC2)c1 1475754807 GSPQZIYBWONSAN-UHFFFAOYSA-N 444.557 2.343 30 10 IEEE COCC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1504757156 POBLCJNEPMPFSR-HSZRJFAPSA-N 441.580 2.247 30 10 IEEE COCCCOc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1504835868 NKSYQDZEZXYOHJ-TZIWHRDSSA-N 441.532 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1507548962 XCRZZMYTHNOBCL-YESZJQIVSA-N 428.541 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCn1cc(Br)cn1 1507671746 OWCXCJFQZGLYGM-UHFFFAOYSA-N 438.333 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)OC 1507672061 UCAVUVIPTADPKI-MOPGFXCFSA-N 445.564 2.474 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1 1507702564 MPWQKMKBSMUKMU-HTAPYJJXSA-N 426.521 2.359 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](OC)c2ccccc2)CC1 1507716275 PPGPCQMCENKYGT-NRFANRHFSA-N 438.576 2.339 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)C(C)C 1507760647 CIFLGMWVAGVXOL-PKTZIBPZSA-N 431.581 2.473 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1507968541 UZZFSBFSSUQWJX-YLJYHZDGSA-N 426.583 2.168 30 10 IEEE C=CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1507995281 HUGDXUHMKYUWJX-JOCHJYFZSA-N 446.573 2.124 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1508122821 ATEAKAVEVJFQMV-IFMALSPDSA-N 439.608 2.071 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)C1 1508127874 WZJQABJVUOFENU-VQTJNVASSA-N 425.533 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2CCCO2)CC1 1508136821 HVZUKLOOFMGDTC-IBGZPJMESA-N 431.562 2.336 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1508163653 WECLHBIWGXFBGD-LJQANCHMSA-N 429.546 2.378 30 10 IEEE Cc1ncc(CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1511590501 SOGPWSNIJUZDPF-VHEBQXMUSA-N 429.550 2.404 30 10 IEEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCC[C@H](OC)C1 1530528199 QTVVRIZJCXDTTQ-JENIJYKNSA-N 436.530 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539031084 WKDSTBJVFBZDDA-RBUKOAKNSA-N 445.589 2.213 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539220373 RKUXXRDIUFHQST-MOPGFXCFSA-N 449.646 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)[C@@H](C)CCC 1539314933 AEPZQJFVBQVWJA-KRWDZBQOSA-N 438.532 2.021 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1539342871 ATZCOWMTPQYQQV-CQSZACIVSA-N 425.942 2.080 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2cn3ccc(C)cc3n2)n1 1539423692 CLSHRQIXBNXYNV-UHFFFAOYSA-N 432.532 2.328 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCOC2=O)CC1 1539434202 CMUMTTVTLKWUSK-UHFFFAOYSA-N 428.924 2.196 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1539447101 NZZKZJWTSUAOQY-FQEVSTJZSA-N 439.560 2.383 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539447836 WXMWLMYMNLKVHJ-QGZVFWFLSA-N 434.466 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1539467220 PJCNFWXMXVNBMR-UHFFFAOYSA-N 432.532 2.201 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1539512936 JLPXUSNMVBRMSV-UHFFFAOYSA-N 441.605 2.274 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccs2)C1 1540881314 FPRHPAPRSDFQBB-KKSFZXQISA-N 431.562 2.265 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)C1 1540891220 RBIPRWGIOLXBEK-FGTMMUONSA-N 430.578 2.375 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540913246 QJYHSBLZRQUCCG-SFHVURJKSA-N 448.618 2.264 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1541129584 FUTWZYVRMHOHCC-HUUCEWRRSA-N 428.518 2.035 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)o1 1542341412 IBFJNEGAMYUDPZ-GOSISDBHSA-N 446.577 2.238 30 10 IEEE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1543137576 MFXZEZDMCAMEBN-INIZCTEOSA-N 447.293 2.271 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)C1 1554531824 QRDMKNYQHCIGMP-ICSRJNTNSA-N 439.516 2.259 30 10 IEEE CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](C)C(=O)OC(C)(C)C 1557479190 MKFJQMWVBKQOLC-WMLDXEAASA-N 428.489 2.342 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 1558114288 SVKMNEAFRQHDON-ROUUACIJSA-N 442.459 2.415 30 10 IEEE C[C@H](Sc1cccnc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559412211 AEYYKQNNOFOKOV-AWEZNQCLSA-N 432.527 2.093 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)C[C@@H](O)c3ccccc3)C2)C1 1567253118 SQCGXDURDPIOCH-TXZCHXJXSA-N 443.544 2.374 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)CC2=O)cn1 1584151179 GSDNNEPZIGXWII-HXUWFJFHSA-N 444.495 2.382 30 10 IEEE Cc1c(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)ccc(Br)c1C#N 1585595211 HHXCWSUPSOFSEJ-UHFFFAOYSA-N 433.287 2.494 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)s1 1586317195 CWXTUUXMRGHRDC-QGZVFWFLSA-N 433.599 2.488 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1587697416 PSXYKJBDURXGAT-HXUWFJFHSA-N 438.580 2.443 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 1587973613 ZQNLYPMRLJSETP-KRWDZBQOSA-N 437.972 2.486 30 10 IEEE C#CCN(c1nnc(CC)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1588058846 DONNPQNOQYIEBY-AWEZNQCLSA-N 425.605 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1588112894 CNAONNBWHLBKPC-DEOSSOPVSA-N 446.580 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCOCC(F)(F)C(F)F)CC1 1588884516 CYDUVQGPZRPEKT-UHFFFAOYSA-N 447.477 2.458 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1589096958 IZNKSRGZLHIZHG-IBGZPJMESA-N 444.649 2.120 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1589208242 YRTYZQRUEDOFIZ-FDDCHVKYSA-N 435.532 2.363 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)C1 1595745999 ZVAFGDRWADWBFF-LBPRGKRZSA-N 434.285 2.170 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C(=O)OCC 1596778810 XCFFTFZTIPTEKY-ZDUSSCGKSA-N 439.317 2.326 30 10 IEEE C#CC1(O)CN(C(=O)[C@H](CCOC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1603216134 FOIVBBLTJDJJIA-QFIPXVFZSA-N 434.492 2.137 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCN(C(C)(C)C)C3)nnc12 1611590724 YHLSGMOQIKFMJH-HNNXBMFYSA-N 440.573 2.311 30 10 IEEE CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1613626656 GLLDKSYQKRMFFS-IAGOWNOFSA-N 435.536 2.085 30 10 IEEE C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1616470700 IASBLBNUCVIZSL-AWEZNQCLSA-N 435.366 2.061 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1618526317 GFVNLWPXUHNEDR-SFHVURJKSA-N 440.548 2.362 30 10 IEEE COCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1619834066 BYRNDWCLVZUXJV-QFIPXVFZSA-N 440.552 2.024 30 10 IEEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)CC1 1620483546 UAYMVYRNXFKIMW-XMMPIXPASA-N 425.577 2.340 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)s1 1629338828 JUEXFOJBUWMVBT-UHFFFAOYSA-N 435.571 2.435 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)F 1632532507 CEBTZRCVSOPVRP-YNEHKIRRSA-N 432.468 2.410 30 10 IEEE COc1cc(C(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)ccc1C#N 1633335214 BFZRFOKDFMGHMO-SFHVURJKSA-N 442.516 2.251 30 10 IEEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1Cl 1633922413 GCOCUQYTCPDJLI-UHFFFAOYSA-N 439.946 2.349 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1634564681 GHWHVBPLCHUWFH-RTBURBONSA-N 438.981 2.155 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F 1635191692 NDUSTIJGDSZRQJ-SJORKVTESA-N 445.299 2.262 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC[C@H]2CCCN2CC(F)(F)F)CC1 1638259147 CFLZJGOUUOESII-CQSZACIVSA-N 426.443 2.282 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)CC1 1639425067 IMRAVRGJVYEMKG-UHFFFAOYSA-N 441.528 2.418 30 10 IEEE N#Cc1ccc(N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(F)c1Br 1640497223 MULFNOVHUVZGKU-CSJGVYOVSA-N 430.299 2.083 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1640584908 GXRLLBYJYUDPJW-IEBWSBKVSA-N 442.516 2.053 30 10 IEEE N#Cc1cn(CCC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)c(=O)nc1O 1643488193 GAEXRAABTVGTIK-UHFFFAOYSA-N 447.274 2.130 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](OC)[C@@H](C)CC)nnc12 1648795863 MXXXRUCSFFYGQW-YOEHRIQHSA-N 429.546 2.500 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 1653281484 OKMUXXJOXKGQIM-GOSISDBHSA-N 442.537 2.102 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 1659402222 LBRJNIKATXRWPH-UHFFFAOYSA-N 428.533 2.179 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c1 1663759422 GNJLWOSXOUOVPZ-UHFFFAOYSA-N 445.541 2.131 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N(CCN(C)C)CC(=O)N(C)C 1678356072 KJZZHCUFJRWLNA-UHFFFAOYSA-N 427.343 2.498 30 10 IEEE C#CCCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1689941968 YTZXJTUCPBXUJI-HTAPYJJXSA-N 433.553 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC 1690048990 VNHLSXNYOWMZCO-QZTJIDSGSA-N 431.537 2.084 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1690176934 DEFHHYLWOXQMIL-OAHLLOKOSA-N 433.528 2.476 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCOC1 1690223113 DYHJKYAEZBXAMB-AWEZNQCLSA-N 445.325 2.302 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1690375331 HNXXHJZCQONCMI-HZPDHXFCSA-N 439.582 2.250 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690683829 WOKQJEZTSRRKTP-UHFFFAOYSA-N 433.578 2.362 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1692851641 COVFHZKZVQFCLG-JPYJTQIMSA-N 438.532 2.390 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)nc2)C1 1698483138 UKGMMLDFKXHILP-IBGZPJMESA-N 426.843 2.464 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1705562286 ZLVKCEMFQAWVBD-HOCLYGCPSA-N 432.575 2.176 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1705613877 RYYHTWAERBCORK-INIZCTEOSA-N 428.541 2.029 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CCCC2)CC1 1705636635 RRSRJIHNLPMJQI-UHFFFAOYSA-N 439.560 2.413 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCS(C)(=O)=O 1705658764 ADNJYRWWXHXLKG-UHFFFAOYSA-N 445.570 2.447 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705734393 NQPZTWXHANZNFB-FPOVZHCZSA-N 428.581 2.423 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C 1705878072 SQEGBDXNOAXHLP-UHFFFAOYSA-N 433.516 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1705895558 KZDYNWXABRVWOM-QGZVFWFLSA-N 448.527 2.493 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CCO1 1706050485 UZQZJJZXPPMCTM-VDGAXYAQSA-N 426.496 2.296 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709159949 XSTAOQMFOLUCBM-XKXPVHLMSA-N 436.516 2.253 30 10 IEEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1711859227 YRPRKKGSVNAOBZ-QFIPXVFZSA-N 442.495 2.181 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1722309283 WMANWPAOACHGDC-GOSISDBHSA-N 436.626 2.147 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722337413 ZLCUDIHHQDXSCQ-LJQANCHMSA-N 434.500 2.355 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1722363939 DBZAKWTWICCMIB-RBUKOAKNSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1SC 1722389166 DTQOFSDPRDICHG-KRWDZBQOSA-N 445.614 2.430 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722455924 YAYLPMUPVXDUDQ-IRXDYDNUSA-N 441.557 2.044 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722456385 XYAUJYIVXIIZTI-UHFFFAOYSA-N 436.589 2.152 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1722508066 KFTUEZYZAOSFAH-YRXWBPOGSA-N 438.594 2.167 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)NC)CC1 1722573267 RVWVAGHKBPITJJ-UHFFFAOYSA-N 446.577 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722698441 YTMUPDUMNHTXNP-HXUWFJFHSA-N 448.527 2.235 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1722703706 FLGCYBIHJPFNRK-YKSBVNFPSA-N 439.560 2.301 30 10 IEEE CC(C)N(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723519549 CJQZUWSTAJDOQE-GOSISDBHSA-N 448.579 2.380 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)(C)C 1729875929 FSUUIQGETXCVSG-PMACEKPBSA-N 440.548 2.219 30 10 IEEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1730549795 CEPPCCPAKYEPNA-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1CCO[C@H](C)C1 1730871200 UOLNFATVLSOLHE-ANTGDGSKSA-N 446.596 2.384 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1731003169 BDIJTKGCQKMXLO-IBGZPJMESA-N 443.573 2.383 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1740567533 SRTRPMSQWQVXOH-INIZCTEOSA-N 447.561 2.099 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC(C)C)c1C 1740608587 HKRQISXZIQPIGA-UHFFFAOYSA-N 444.543 2.471 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740620986 JGGIUOMIBGBLDA-WUZYXKQASA-N 445.589 2.495 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2s1 1740630153 GBTKZMJVGPUUBX-MRXNPFEDSA-N 441.582 2.419 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCOC[C@H]1OC 1740636856 GIRBMJXPQXJWNV-SIKLNZKXSA-N 430.512 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C)n(C)c1=O 1740647393 NHZGGROHFZRZJT-UHFFFAOYSA-N 430.468 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(N(C)C)CCOCC1 1740680568 HEYCTYVLXWWWBS-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCc1n[nH]c(C)n1 1740683092 UMERPVYWVXETPN-UHFFFAOYSA-N 444.337 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)COCC)CC1 1740692314 IMLPROSWHFEALF-HSZRJFAPSA-N 433.597 2.137 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1740743763 DLVVUJHGZCTMRP-AWEZNQCLSA-N 439.358 2.075 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(O)c2)CC1 1740833840 YIVAQRKGYRXPCQ-AWEZNQCLSA-N 435.550 2.053 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncn(C)n1 1740919354 CTMGGOSOXIQQNH-QFIPXVFZSA-N 441.511 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(C)=O)CC1 1740987956 PAFYOUVGWVIABD-UHFFFAOYSA-N 445.589 2.167 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1741009488 CFUYNZMSKMSMOA-NRFANRHFSA-N 438.532 2.069 30 10 IEEE CC(C)c1ncc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)cn1 1741329533 OGDXBNQNVVNYQI-UHFFFAOYSA-N 434.504 2.463 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCOC)CCC2)CC1 1748283078 DKLFTOXPSWFOSW-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cccn2)CC1 1749049303 IFIZYZNSNZSPSN-PMACEKPBSA-N 444.605 2.482 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1749097705 HSUDRMQGEUBIGP-UHFFFAOYSA-N 439.402 2.445 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2cncn2)CC1 1749235336 PNGIEDAHSSBCFO-UHFFFAOYSA-N 439.568 2.241 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749451857 JEMLATSYIBTJEN-MRXNPFEDSA-N 438.454 2.438 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1749650024 HFWHJEBEJWQWGB-GOSISDBHSA-N 426.521 2.069 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1750295056 WCWIGRKIMGLZHX-LZICOFPGSA-N 441.561 2.142 30 10 IEEE CC(C)=CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1750536992 ODLHUWLIKBMZDE-SFHVURJKSA-N 444.561 2.280 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760137722 WRIWDMZHOKZGJN-SJORKVTESA-N 430.553 2.384 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(F)c2)CC1 1760251860 JQZVUFMSXUVRDT-UHFFFAOYSA-N 437.454 2.007 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1760260355 PNGSIWOIFGHMFS-QUCCMNQESA-N 425.581 2.275 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2c(ccnc2O)C1 1760526265 JDSMOMINEUWWJR-UHFFFAOYSA-N 448.527 2.439 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCO[C@H]2CCOC2)n1 1762438498 PAAGJSAEPITYLK-IBGZPJMESA-N 427.553 2.465 30 10 IEEE CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1764547817 AVKOEQBFDRXLQO-FQEVSTJZSA-N 447.543 2.311 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1766185536 VNCQMRNSRHOQEP-FQEVSTJZSA-N 437.548 2.086 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2Cc2ccc(C(N)=O)nc2)c1 1770732483 YWCLBJBKBSCRKH-UHFFFAOYSA-N 431.500 2.100 30 10 IEEE COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)ON1C(=O)c2ccccc2C1=O 1772791778 DSCLGAWSRXQMKN-INIZCTEOSA-N 428.466 2.301 30 10 IEEE Cn1cc(N2C[C@H](C(=O)OC[C@H](C#N)Cc3ccc(Br)cc3)CC2=O)cn1 1848485260 OJJPQZBZNSKJSV-LSDHHAIUSA-N 431.290 2.461 30 10 IEEE C=CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCN(C)C1=O 1848750633 NRNSHHSJEOROGO-UONOGXRCSA-N 445.994 2.190 30 10 IEEE Cc1nc(Cl)cc(N2CCC(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2)n1 1851165817 RAFUSTUMKDKAKM-MRXNPFEDSA-N 428.880 2.285 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCC(S(=O)(=O)c3ccc(F)cc3)CC1)OCO2 1851470921 OFENPVHYCCQAKH-UHFFFAOYSA-N 430.457 2.433 30 10 IEEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)c1nc(-c2ccccc2)ncc1OC 1851705188 PUNPNPLGNYPMJN-QGZVFWFLSA-N 432.484 2.458 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)N3CCc4ccccc43)CC2)CC1 1852449432 WSHQYOJUHVWJGG-NHCUHLMSSA-N 434.540 2.213 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N[C@@H]2CCN(c3nccn4c(C)nnc34)C2)n1 1852830750 VLVVNKYCVLDQQD-GFCCVEGCSA-N 430.394 2.035 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1S(=O)(=O)c1cccnc1 1854343674 FINNPWYSXIXELR-UHFFFAOYSA-N 446.916 2.253 30 10 IEEE CCC[C@@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 1855469947 IDQWWPWNNCLPAB-QZTJIDSGSA-N 435.521 2.472 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1859472021 QPBHTJOTWBDTMG-UHFFFAOYSA-N 445.541 2.205 30 10 IEEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CSc2nnnn2C)cc1=O 1870244365 LKFNLYUWZJHYQH-UHFFFAOYSA-N 443.529 2.489 30 10 IEEE CCN(CC)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(C)CCO 1870349362 KYBLEXXQWJGAKH-UHFFFAOYSA-N 426.561 2.455 30 10 IEEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OCC)CC1=O 1872981468 AWLDPMJVVFDPOM-RBUKOAKNSA-N 437.581 2.256 30 10 IEEE C=CCN1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1873139253 DJBHFUSXLJBPEY-UHFFFAOYSA-N 427.457 2.430 30 10 IEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N(C)Cc3ccccc3)ncnc21 1873594615 XWIUEMVWMNVDNK-UHFFFAOYSA-N 434.544 2.316 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@H]3C#CCN(C)C)SCC(=O)N2C2CC2)cc1 1889885387 ONPMSIFWKGEZLP-SXSPYAJSSA-N 441.597 2.399 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)c1 1890113092 KDHLUSAWIBRKES-ICSRJNTNSA-N 440.525 2.095 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C4CC4)[C@H]3c3cccnc3)CC2)cc1 1892118230 VHXCVQROHAHQGT-XZOQPEGZSA-N 447.564 2.450 30 10 IEEE COc1ccc2nc(N3CC(C(=O)N4CCN(c5ncccc5C#N)CC4)C3)sc2c1 1892204670 BNHXOTSYHDJDDO-UHFFFAOYSA-N 434.525 2.357 30 10 IEEE C=CC1(N[C@@](C)(C(=O)O)C2CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1904334256 DMAFLGKNXLKEAM-HXUWFJFHSA-N 425.526 2.462 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010405522 ZHJTVLBTUBRMPQ-IHRRRGAJSA-N 426.319 2.008 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2049161993 ISKPVXIBGVKFIN-ROUUACIJSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2060634922 FPKKKAHFNGPCDN-LLVKDONJSA-N 446.235 2.170 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)[C@H]1CCOC1 2060642572 YZNAAOULCHVBJP-FIDHJVLJSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OCC12CC2 2064050812 IYVSXOSELDGDBN-PMACEKPBSA-N 440.544 2.391 30 10 IEEE C[C@H](C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1)N1CC(NC(=O)OC(C)(C)C)C1 2068909167 WVLPAJANDWGUCM-OAHLLOKOSA-N 435.374 2.374 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2124521856 LTRXKVAXWIMWMD-MTSZKFMLSA-N 448.369 2.419 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)[C@@H]2C1 2124521858 LTRXKVAXWIMWMD-PVWHLQNVSA-N 448.369 2.419 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2127761072 OJPZDKODFRZPPV-UHFFFAOYSA-N 446.353 2.020 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224081402 PPVZLUCKHAMNRX-QGZVFWFLSA-N 433.358 2.453 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243412441 MWIWANBBPYQHIC-UHFFFAOYSA-N 446.400 2.193 30 10 IEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CONC(=O)OC(C)(C)C 2248403887 IUXACNLIWQSLKN-GFCCVEGCSA-N 441.359 2.418 30 10 IEEE C[C@@H]1OC2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CC1(NC(=O)OC(C)(C)C)C2 2254795989 LBWVGESNEAKLPD-MNCCLXEDSA-N 440.544 2.438 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619910 UDVIYNRPYPTFLS-ZFWWWQNUSA-N 434.346 2.132 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255700484 DEIQYUJLSAXXAR-UHFFFAOYSA-N 435.330 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255819224 XUTOUDHOGCKYAP-OKILXGFUSA-N 435.305 2.305 30 10 IEEE Cc1cnc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255865739 KUGRRTJMYZRBNC-GDBMZVCRSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255879500 PYWTZKVDAPDSSW-PEBXRYMYSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256638879 KJYOSBDWGQEXBK-OPAMFIHVSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256736776 HLRQJZZHTFJSBU-ZENOOKHLSA-N 449.382 2.314 30 10 IEEE CN(C)C[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256927793 HJISTDHKVDRFCH-HNNXBMFYSA-N 439.337 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C[C@H]2C1 2265979743 HECSAUFVAXEGGH-ROUUACIJSA-N 445.369 2.453 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267138653 YVVKNPICXRESAL-CABCVRRESA-N 448.373 2.474 30 10 IEEE CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267189257 YBDBBAOBSXUCAL-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267189258 YBDBBAOBSXUCAL-LJQANCHMSA-N 438.381 2.456 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2267196555 FTRCRPMBCUEBDY-HNNXBMFYSA-N 448.325 2.275 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548907 VWUYZABUVZFQPU-GOSISDBHSA-N 436.365 2.370 30 10 IEEE CO[C@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2267594125 PWBPVRJXRKNTRJ-MSOLQXFVSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1O)C2 2267806472 XMNAGRZVTQLPPF-FATZIPQQSA-N 444.337 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267870130 AMKWBYBSKPZUJB-AWEZNQCLSA-N 446.357 2.151 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267871771 DWEDIUFLTNCNJC-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268672433 SEXJVBGALKLAMQ-UHFFFAOYSA-N 443.313 2.434 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)C2)CC1 2271194255 LZJNDXSAYFZNRY-UHFFFAOYSA-N 447.385 2.069 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2271595664 AMTONIYJVOTBHL-GASCZTMLSA-N 449.361 2.291 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3OCC[C@H]3F)cc2Cl)OC1(C)C 2282312873 CMXFEECHCRCEIS-MNOVXSKESA-N 425.740 2.106 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2283054912 AQRJRXIHCPIVMG-HSALFYBXSA-N 448.376 2.416 30 10 IEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NCC#N)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297470438 YTBSWTZLBNCNMW-QFBUEFHZSA-N 442.556 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](N)C#Cc1ccccc1Br 2313857214 VQZPLVOZLKVPHU-HUUCEWRRSA-N 431.352 2.066 30 10 IEEE CC(C)(C)OC(=O)NCCONC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317258523 GDEHEAVZYQHBQM-UHFFFAOYSA-N 440.277 2.017 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1 2323720640 RLEQMMLAIRMSIN-HXUWFJFHSA-N 438.480 2.369 30 10 IEEE O=C(CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(O)cc1O)NCc1ccco1 2330950797 JPMGJHMZYDOKEN-KRWDZBQOSA-N 443.485 2.425 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2337206128 IRWQMYRDOFLRFS-CABCVRRESA-N 448.373 2.095 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 109894729 XNTRBDWTYXKZCY-LJQANCHMSA-N 448.504 2.361 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1 253377034 VTPZWWCPCOMKEW-SFHVURJKSA-N 429.546 2.446 30 10 IEEE COc1ccccc1N1C(=NC(=O)c2ccc3c(c2)OCO3)S[C@H]2CS(=O)(=O)C[C@@H]21 254532192 VKCVQDZGGGLNHL-KSSFIOAISA-N 446.506 2.339 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ncc(Br)cn1 432994387 GNSPANYTNGFFAM-HIFRSBDPSA-N 449.378 2.360 30 10 IEEE CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CCN(c2cnccn2)CC1 434363377 QGQAFJHIAHHOLG-FQEVSTJZSA-N 433.516 2.154 30 10 IEEE CCc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnc2c1c(=O)n(C)c(=O)n2C 464418208 ADBRZPPKTCFBLR-LBPRGKRZSA-N 431.374 2.098 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 465276005 LAPJOQZZYHRKKX-HKUYNNGSSA-N 447.495 2.167 30 10 IEEE N#C[C@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(Br)cc1 499385452 APNKBRYTDCRBGO-KRWDZBQOSA-N 439.269 2.401 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)C2=O)cc1 510129595 BCSPZISLVGXTCR-UXHICEINSA-N 445.479 2.075 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 513785373 LFCJCWSOLCZNHX-UHFFFAOYSA-N 436.537 2.200 30 10 IEEE COc1ccc(Br)c(-c2nnn(CCS(=O)(=O)c3cccc(C#N)c3)n2)c1 513788507 RYGXOKCSUKLKBY-UHFFFAOYSA-N 448.302 2.457 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 522276399 XURJUKZHHCVARF-UHFFFAOYSA-N 440.565 2.444 30 10 IEEE COc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1OC 525602811 GNRNOACDTATXEP-HNNXBMFYSA-N 431.514 2.175 30 10 IEEE CC(C)(C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1O 544658568 GWHDXSLEEAPILS-PMACEKPBSA-N 433.574 2.214 30 10 IEEE COc1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1Br 545471586 MBIQBWXCJUWBGU-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)ccc1Cl 555374751 IARVMVJPDXPPGI-INIZCTEOSA-N 436.873 2.347 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 561103591 ZGZDNCWIIZREEQ-LVCYWYKZSA-N 436.516 2.055 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C(=O)N1c1cnn(C)c1 611840935 LBUDJYBBLAOWGX-MLGOLLRUSA-N 438.879 2.446 30 10 IEEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727417631 IEIFMVOWBPXSAE-UHFFFAOYSA-N 435.505 2.099 30 10 IEEE C#CCN(C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729333940 CXOIRJKVADHJRI-HXUWFJFHSA-N 445.562 2.231 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)cc1F 729846062 NYYYUIWLIXFZEB-IBGZPJMESA-N 447.488 2.043 30 10 IEEE C#CCN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 731212787 FPVXGNRPEAJRQY-FYYLOGMGSA-N 428.529 2.496 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1 732696278 BCEHPOGPZWJPOE-APWZRJJASA-N 431.562 2.311 30 10 IEEE C[C@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)Nc1ccccc1C#N 744894975 NKPPVDXCOUKFLI-JTQLQIEISA-N 427.360 2.431 30 10 IEEE CO[C@@]1(C(=O)O)CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757472584 XVCMZVCZZIYPGN-VWLOTQADSA-N 448.475 2.231 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1Cc1ccccc1 761833787 CACNMUIYXARKHC-UHFFFAOYSA-N 448.573 2.074 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 778737909 GVSGTUBPXQCAJC-HXUWFJFHSA-N 441.509 2.274 30 10 IEEE C#CCSCCNC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 788797006 JEZOBCJVGOMYCS-ROUUACIJSA-N 431.558 2.336 30 10 IEEE COc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c(C)c1OC 794394956 WJMRDGFFVWKMJJ-LBPRGKRZSA-N 447.513 2.477 30 10 IEEE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1 796277729 BCZPPGRKXAQBPQ-CYBMUJFWSA-N 439.472 2.001 30 10 IEEE Cc1nnnn1-c1ccc(F)c(NC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 803924884 YZRDLLINYZOPTD-UHFFFAOYSA-N 438.394 2.334 30 10 IEEE CCc1nnc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)s1 809940048 BPPPRCDQUYQHNQ-HNNXBMFYSA-N 446.602 2.300 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 812179193 KIYJDTTVXUMSMD-HOTGVXAUSA-N 435.525 2.162 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@H]2CCCN2CC(F)(F)F)c1 813074848 NSPFDIQQUMRXBD-GFCCVEGCSA-N 440.241 2.152 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(-c3ccc(F)cc3)c2=O)cn1 839203674 RZYULCYCTIJKQI-UHFFFAOYSA-N 448.454 2.297 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 858071285 HDNCWQQCNYOLQU-HXUWFJFHSA-N 425.510 2.425 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)cn1 1084187572 KYHUFXRREHENPF-UHFFFAOYSA-N 439.505 2.322 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1130904067 FWRGQYJKOMIJHM-RXVVDRJESA-N 433.574 2.404 30 10 IEEE N#Cc1cccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)c1 1134685346 UBIFRTWRMWEODO-MRXNPFEDSA-N 431.233 2.476 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)c1 1136243977 QSVBLMRMBHVSOI-FQEVSTJZSA-N 439.581 2.424 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1141144514 BKDFVZXDWLQTEP-OAQYLSRUSA-N 441.553 2.254 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 1148050749 VEWUYIVEDCJVCE-ZQGRQUNCSA-N 443.516 2.411 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 1148704867 AFTZNWHFUAGCDT-UHFFFAOYSA-N 426.538 2.375 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 1150366190 GEOOPMBVULBJAP-QHAWAJNXSA-N 429.561 2.292 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1156150029 ROIFXAXOHWOHRO-LBPRGKRZSA-N 429.468 2.455 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC(Nc3ccccc3C#N)CC2)c1 1196545686 SREUPHADBRQBNT-UHFFFAOYSA-N 441.557 2.324 30 10 IEEE CN1C[C@@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](c2ccccc2)C1 1233851670 HMYJZADFCUZEBF-YSTOQKLRSA-N 427.549 2.390 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286490294 JOAXOBLNMQRPDP-KDURUIRLSA-N 442.608 2.011 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)OC)C1 1286536065 NAZOUABKJMSYRW-KBPBESRZSA-N 431.331 2.300 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286554155 GWJYQVVAUJLOMU-MLHJIOFPSA-N 426.583 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1286783859 OBRRCJNYJPCTLX-QFIPXVFZSA-N 442.495 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cncn2)C1 1286815837 AYGUYTMUSPTXOJ-SFHVURJKSA-N 441.561 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCN1CCC(O)CC1 1293927843 JNDGJFDFIBLMBG-NRFANRHFSA-N 442.560 2.356 30 10 IEEE COc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)cc1OC 1300018484 HOASKYHMFDJLOX-CQSZACIVSA-N 436.472 2.142 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300409800 UZYWJYFAOGPAAJ-NRFANRHFSA-N 442.608 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)noc1C 1300569192 FTKWWTMQWWZMEF-UHFFFAOYSA-N 441.499 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(OCC)CCCC2)CC1 1300725102 GHLCWBLOOUFIMM-LJQANCHMSA-N 429.565 2.097 30 10 IEEE C=C(C)Cn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1300965470 QGLFUZWJSDMRSP-QFIPXVFZSA-N 444.536 2.202 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301055339 ZDDMOJBPMTWWSY-GOSISDBHSA-N 443.527 2.431 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1301502469 IXDDNZGPBSERPK-HNNXBMFYSA-N 431.541 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2F)C1 1301536154 RXKWUSPVJGPAQV-GOSISDBHSA-N 429.496 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCCCC2)CC1 1301579516 UCHGZMXFAPEBKN-UHFFFAOYSA-N 432.594 2.329 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)c3cccc(F)c3F)CC2)cc1 1301895451 SUBKEDCVFIALEG-UHFFFAOYSA-N 447.463 2.236 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1301967777 GNCVUEGAPWMMQJ-HZPDHXFCSA-N 443.556 2.165 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nccc(C(F)F)n1 1303627022 BYBRHHKOFHPOLN-GFCCVEGCSA-N 427.419 2.440 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1CCCNS(C)(=O)=O 1304549535 CDKVCXZBNDKYCM-UHFFFAOYSA-N 430.578 2.247 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1305315212 WBCHOGMJLHLCOT-FVJLSDCUSA-N 427.461 2.004 30 10 IEEE COc1ccc(CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1313112041 DGEBWGDKUKJGSU-UHFFFAOYSA-N 431.500 2.426 30 10 IEEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CC1=O 1313914053 SWAUJKZJCMCNJP-UHFFFAOYSA-N 435.488 2.058 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1=O 1352239340 XCFKFKJZYAJVTN-UHFFFAOYSA-N 440.475 2.163 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)cc1 1355842976 SNRBMJKUZCVWOT-UHFFFAOYSA-N 438.509 2.365 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 1358915384 AXJYDWOXDOTTDI-UHFFFAOYSA-N 426.565 2.185 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1358915516 FTOKYGBAOVNWBP-VGSWGCGISA-N 443.573 2.457 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1358940040 MJTKCQXPIIAJIR-QFIPXVFZSA-N 425.489 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCc2ccccc21 1358984432 VBBNXIBUUCIDGC-RUZDIDTESA-N 433.556 2.493 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCCN2CCC)CC1 1359027910 ACSXTFZHQAXUGI-NRFANRHFSA-N 443.640 2.216 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1359123604 AORGHBPTLKOKMZ-UHFFFAOYSA-N 443.573 2.419 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1359136219 CNRDFZLPALDGFK-UHFFFAOYSA-N 433.484 2.477 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359177633 WAKBKDSNOGLNQK-UHFFFAOYSA-N 441.561 2.060 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1359272398 RDCJDZDAXHMQPH-IBGZPJMESA-N 449.621 2.004 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359309912 HEZOVLYIXPNBDA-INIZCTEOSA-N 444.561 2.161 30 10 IEEE COC(=O)[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)Oc1ccccc1 1466174338 DQCXVXWKNHBWSZ-RDTXWAMCSA-N 431.470 2.114 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN1C1CCCC1 1470925459 AWFJQGSBLXNOAM-MJGOQNOKSA-N 432.590 2.273 30 10 IEEE CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1471799411 LNTWKEBSZJEQFV-RHSMWYFYSA-N 426.452 2.182 30 10 IEEE Cc1cc(C)c(C)c(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1C 1473069737 XTXAUCFNBUWGMW-UHFFFAOYSA-N 425.485 2.340 30 10 IEEE CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1500943085 GJMQUVFQQWTSGD-WFXMLNOXSA-N 434.610 2.042 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(C#N)CC1 1503272850 CZIMRIVMHDSFKN-UHFFFAOYSA-N 441.561 2.276 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1504681371 CDOWWAWDBJBGSJ-GOSISDBHSA-N 426.521 2.070 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCc2noc(CC)n2)c1 1507551537 FNPITAJUMKTOSI-GOSISDBHSA-N 449.515 2.374 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507572392 IDOBCPBBQBDLLS-IBGZPJMESA-N 448.531 2.058 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1507622442 JIFNNMDUOWJRPF-ROUUACIJSA-N 428.558 2.206 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507628957 QTGFTAXRQAZGSV-ZFWWWQNUSA-N 439.994 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1507651538 CECLOLUTMFEFAL-SFHVURJKSA-N 431.544 2.088 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1508089035 ICFAGFZWMCVGLU-QRVBRYPASA-N 446.596 2.343 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)C1 1508125341 QSFZISWHXAEPTR-VQTJNVASSA-N 438.532 2.212 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508157823 BNQWFQLQYFZHJB-SJORKVTESA-N 442.593 2.044 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1508167459 KJFMWEQLDTUUTQ-KRWDZBQOSA-N 434.610 2.013 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1510102764 APXGITRWGJVZHF-INIZCTEOSA-N 439.564 2.079 30 10 IEEE CCc1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513890486 QISVOMMWAZGNPF-ZREAOVPFSA-N 435.532 2.448 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1514275464 JILPEBQPYAIWEN-OSPHWJPCSA-N 449.559 2.086 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccccc2)CCOC1 1516229071 PGDOIEWMGCVNED-SIKLNZKXSA-N 427.505 2.128 30 10 IEEE COC(=O)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(S(C)(=O)=O)c1 1526394026 GIDYNYMDTBSTRK-OAHLLOKOSA-N 445.472 2.352 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC(=O)N2C)cc1 1531354679 NHLSQXHZHPEZGW-CTNGQTDRSA-N 430.468 2.365 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539407599 IIILMWSVSPMXLS-LJQANCHMSA-N 447.543 2.095 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539434322 HXULQWWVMFCKLW-MGPUTAFESA-N 447.381 2.342 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)COC)CC1 1539505763 MKIYZYMENMYSEW-UHFFFAOYSA-N 431.537 2.182 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1539542418 YUBZKZVYZQNJNV-PKTZIBPZSA-N 431.581 2.033 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1539548486 NWSOZUPCVXOQBG-KSFYIVLOSA-N 444.557 2.389 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CC1 1539675110 MUMWPNYSTCBPJX-WOJBJXKFSA-N 437.475 2.351 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1540880099 XQXUDZXCEWQKDC-UHFFFAOYSA-N 433.578 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)C1 1540894343 VRBNSSQSSDKRTH-OAQYLSRUSA-N 432.528 2.387 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540907566 AQXJZMYCAASPFV-UHFFFAOYSA-N 434.610 2.174 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1541168586 CJNBVRYTADBESN-SFHVURJKSA-N 447.561 2.025 30 10 IEEE Cc1csc([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)n1 1542845510 GQOWKVBXCFIINV-JSGCOSHPSA-N 437.595 2.197 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1548336472 YKRDSBSLSJMDBC-QFBILLFUSA-N 446.577 2.007 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1554531978 VRMKUAKYBDEZCL-OALUTQOASA-N 425.489 2.012 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)F)CCO1 1555993100 HZKOUUONBSWXKH-HNNXBMFYSA-N 427.415 2.156 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)CC1 1556565843 XEYRAVAEDGUDAN-SFHVURJKSA-N 431.537 2.048 30 10 IEEE CCc1ccc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 1558123490 GORLOHIMNJYHSG-SFHVURJKSA-N 440.569 2.132 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)CC1 1568995637 XVKXOFQXOZJEJJ-KGLIPLIRSA-N 429.473 2.217 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] 1586587051 VHHZGEBRWJGLMW-SOLBZPMBSA-N 438.488 2.451 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1588070320 YQSWKUZJRKTHIU-MRXNPFEDSA-N 444.488 2.264 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCc3cccnc32)CC1 1588750801 FXFGHCDBJKSXRN-PZJWPPBQSA-N 438.576 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(C(C)(C)C)no2)CC1 1588923520 CCPCQWXSZIDJCE-UHFFFAOYSA-N 448.531 2.035 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1593683113 IGPLZJCOTJSFJA-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@H]1C 1595239542 MMWWAMFGCSVYHH-LTMIRXACSA-N 425.533 2.004 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 1595738418 OTUZQXZLSQBLIL-FCHUYYIVSA-N 440.592 2.402 30 10 IEEE COc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c2nccc(OC)c2c1 1611638690 JLZLESYDDJFNGE-UHFFFAOYSA-N 426.454 2.041 30 10 IEEE CCOCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616841017 WPUFLQSZWBMBPE-WPCFGXOUSA-N 442.442 2.120 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)c(OC)c1 1619208133 CFYIOPKGMWKONG-GOSISDBHSA-N 440.548 2.301 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1624729711 ZXHHKNSWITVTIE-HTAPYJJXSA-N 429.521 2.016 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc([C@@H](O)c2ccccn2)ccc1C)c1cc[nH]n1 1626180131 ZUPZZYMOUWWXQK-OAQYLSRUSA-N 437.456 2.117 30 10 IEEE C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)s1 1628755304 RAEGBRJQTVLHGK-UHFFFAOYSA-N 428.486 2.166 30 10 IEEE C=CC1(CC(=O)NC2(CNC(=O)OC(C)(C)C)COC2)CN(C(=O)OC(C)(C)C)C1 1629935334 AJSVSLKAAXDRHC-UHFFFAOYSA-N 425.526 2.210 30 10 IEEE CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919366 ZBOHEWYDHOTWRY-LEWJYISDSA-N 447.495 2.326 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)C2)C1 1635125548 FOJOUEBBUWXMOQ-NFVVXBQASA-N 447.576 2.457 30 10 IEEE CCCCCOc1ccc(C(=O)CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1637505984 MLMGMDSIMSIGPA-UHFFFAOYSA-N 438.484 2.436 30 10 IEEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1638403721 BYBHWIVXXOQQGT-OWCLPIDISA-N 449.573 2.473 30 10 IEEE CCN(CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CCC(F)(F)F 1638458286 YIQYSTXJYDGGAQ-INIZCTEOSA-N 439.438 2.154 30 10 IEEE CC(C)(C)OC(=O)NCC1(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCCC1 1645997841 QFOHXVKHLNDPRC-HRAATJIYSA-N 439.578 2.248 30 10 IEEE C=C(CN(C)C)C(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1646283933 WWNVCODFJAYDOG-GOSISDBHSA-N 446.596 2.291 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1655094500 XPDXRZQHKPNLBF-UXHICEINSA-N 445.633 2.032 30 10 IEEE COc1nc(N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)ncc1Br 1657479488 NWSLOCNLGROALE-UHFFFAOYSA-N 433.266 2.350 30 10 IEEE C#CC[C@H]1CCCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1659142488 MESRYCJBSAFDCU-FQEVSTJZSA-N 433.574 2.006 30 10 IEEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc21 1661262177 FRFVBRDBCLRPCL-MRXNPFEDSA-N 439.541 2.324 30 10 IEEE COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)[C@@H]1CCC[C@@H](OC)C1 1662859492 DZDSWPKTTMOFFB-AXAPSJFSSA-N 445.335 2.346 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2S(=O)(=O)c2cc(Br)ccc2C#N)O1 1669190226 ANFYMLDJWMBYNT-PUPMMZHASA-N 443.319 2.193 30 10 IEEE C#CCN(C(=O)NCCN1CCC(N(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1671246367 XYPHKQMIIGOVJY-UHFFFAOYSA-N 435.613 2.057 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 1684223811 CNNLRVIVWDDSTQ-SJLPKXTDSA-N 428.537 2.288 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3cnccc3C#N)CC1)CCS2 1684576102 OSFJLVKWNLVMTJ-BQIYRTECSA-N 429.546 2.002 30 10 IEEE COC[C@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCOC1 1685320343 UVVJQAQUJVOGSP-WBVHZDCISA-N 429.477 2.079 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCC(OC)CC1 1690008606 LXIXUBCPIVQUQJ-UHFFFAOYSA-N 430.516 2.199 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCO[C@@H](C)C1 1690017665 IZSWZYFRJZWKQJ-PMACEKPBSA-N 433.560 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCO[C@H](C)C1 1690017668 IZSWZYFRJZWKQJ-WOJBJXKFSA-N 433.560 2.340 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C(C)(C)C)no1 1690095684 ZLUVZSBQECLFJE-JOCHJYFZSA-N 431.537 2.350 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(F)(F)F 1690665543 HMFSMNWXILWDOY-UHFFFAOYSA-N 425.411 2.407 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1690993549 MLKXWTUTNRELDK-ROUUACIJSA-N 435.532 2.163 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1692617127 QIXINUJHOQDRTC-QUCCMNQESA-N 438.532 2.259 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1692658123 KIKUWRGOKUDQLB-CYBMUJFWSA-N 441.508 2.258 30 10 IEEE CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1695177688 XRKXYLRJHDNLSD-QGZVFWFLSA-N 445.593 2.277 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1696496982 AYGNUAQJPRGLJM-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@@H](C)C1 1698060705 IOXONSGIBHBSMQ-HOTGVXAUSA-N 430.509 2.187 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1698248023 LOCRIOPRUQQMFH-YDHSSHFGSA-N 440.548 2.188 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cn2)CCO1 1698490617 DWLPGZSNBPTVMW-CQSZACIVSA-N 432.257 2.347 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1705544636 YIQSGMWNNZGSHL-IBGZPJMESA-N 449.502 2.388 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705558762 HGRNCTBEUDFVFP-DDOIHHOZSA-N 445.564 2.456 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1705611073 OOAZVGWMDXKYSU-LJQANCHMSA-N 431.544 2.464 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCN(C(C)=O)CC1 1705611722 NVRIYECIBFBLNP-UHFFFAOYSA-N 447.543 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)c1ccccn1 1705627059 SLRALZSWFILTSM-UHFFFAOYSA-N 436.516 2.465 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2cncn2)CC1 1705663668 BNDRMHZXWBMOGJ-UHFFFAOYSA-N 439.593 2.014 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(N)=O)C1 1705701072 CBJWPNVNDWKDBW-SIFCLUCFSA-N 431.487 2.440 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705761085 ZVSVZXQLUVLCED-FQEVSTJZSA-N 435.960 2.131 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705819708 SHMMEEMVYJZSIT-LPHOPBHVSA-N 447.561 2.275 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1705891457 GFEUUQWJTVUVPD-QGZVFWFLSA-N 438.536 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC)C[C@@H]1CCCO1 1705931477 QSWTYAXTQLAAHF-IBGZPJMESA-N 429.546 2.423 30 10 IEEE CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706704185 XPGWLMAGUDEKSB-UHOSZYNNSA-N 446.577 2.057 30 10 IEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1707913516 GHTCSZOGSKXLTH-BGYRXZFFSA-N 437.592 2.280 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1711563063 GUUQOCDTNKTJIK-UXHICEINSA-N 439.564 2.436 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1722357982 BRXSWTGIWVZBPV-LJQANCHMSA-N 446.573 2.102 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)n2)CC1 1722431292 JEBMCAQXSAVLEK-UHFFFAOYSA-N 444.543 2.017 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722456384 SMUJTCUTWHIIRO-HSZRJFAPSA-N 436.585 2.484 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722458385 HVFXSPRDVKPNGR-HZPDHXFCSA-N 443.577 2.486 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)S[C@H](C)C1 1722698793 MJRKCVMGVKMXBC-RKVPGOIHSA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1722724738 DSVNEGJJRZSOKU-UHFFFAOYSA-N 436.557 2.253 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1730458449 CELPZJKOSAVRKI-MRXNPFEDSA-N 426.521 2.116 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1740531527 NVERVFBBGWZISC-IAGOWNOFSA-N 444.967 2.040 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740545117 NZAPNGHKULZXDT-UZLBHIALSA-N 433.516 2.302 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(-c2ccccc2)n1 1740558609 UEGGQTIQCXOTMO-MRXNPFEDSA-N 446.540 2.357 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740592672 DXPCYDGAPAUEJE-UHFFFAOYSA-N 440.567 2.412 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740626601 MGZFFCRIYJAGOK-XLIONFOSSA-N 444.557 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CCc2ccccc2)C1 1740636918 IGHAGRXYPCLUDG-QFIPXVFZSA-N 427.556 2.316 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1740644245 YIBYUHVPPASSCI-QHCPKHFHSA-N 434.569 2.239 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(C)cc2)CC1 1740704749 TVZMOODLBBKWRK-UHFFFAOYSA-N 445.527 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@H](OC)C(F)(F)F)CC1 1740708630 WUJAJOZTERHOPB-INIZCTEOSA-N 427.471 2.164 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)C1 1740754695 VJTQULQAASYZQI-DYVFJYSZSA-N 449.353 2.295 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740809068 BFIQWFLCMHWBNM-HNNXBMFYSA-N 434.953 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1740953307 BGIBMUHHXMAPKY-SFHVURJKSA-N 432.326 2.468 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1741001224 OHYMRDDBYPXURS-AEFFLSMTSA-N 435.594 2.170 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)c1 1742166667 CYNZAGZXJUHEGW-QFIPXVFZSA-N 430.528 2.494 30 10 IEEE CCOCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2C#N)CC1 1747352354 LYCGJTCUVLARDS-UHFFFAOYSA-N 439.564 2.431 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748812683 ZAKPEWJMTUGLOU-NSHGMRRFSA-N 443.573 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC 1748875539 RXGXTZVTHGGZDO-UHFFFAOYSA-N 429.484 2.230 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 1748980074 XYYOGFJAPLXICE-UHFFFAOYSA-N 434.544 2.158 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749043080 DTVLOWGFEKZFEB-SFHVURJKSA-N 448.614 2.062 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749454932 MPXFUDMOLQFLBG-LJQANCHMSA-N 437.552 2.167 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749455376 UAEISYIZODWUMH-GHTZIAJQSA-N 426.565 2.398 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1749715303 RUJYTHVBAOEOCE-IBGZPJMESA-N 443.523 2.071 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCc1noc(CC)n1 1760240315 NPKDTZRTEBXYAD-UHFFFAOYSA-N 439.495 2.383 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760356271 JRKKPXDWNOQONO-IAGOWNOFSA-N 427.505 2.098 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1760460711 CVUAMMGHBTUDQS-UHFFFAOYSA-N 445.474 2.239 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1760522422 STOXGDHIOKWQMV-QGZVFWFLSA-N 441.532 2.141 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760569659 VYPDVKNXEFHVEX-LJQANCHMSA-N 442.593 2.370 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1)OC 1762426414 XLTGQMSMWVXRCU-IBGZPJMESA-N 448.531 2.270 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1769818574 ATQIAHCPIYFWBF-KOSHJBKYSA-N 448.527 2.405 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)CC2=O)cc1 1848939953 JJTGJNBOLYCGQK-IBGZPJMESA-N 438.528 2.049 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1852112636 MADYLKYNHJGYDR-OFNKIYASSA-N 449.507 2.234 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Cl 1852300058 GWVLIHVHSJQESM-ZDUSSCGKSA-N 430.983 2.219 30 10 IEEE COc1ccc2c(c1)CC[C@@H](C(=O)Nc1nc(N3CCN(C)CC3)c(C#N)cc1C#N)C2 1852699231 JRRMEFMTWAOKDW-GOSISDBHSA-N 430.512 2.329 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCCN(C(=O)c3ccccc3C)CC2)cc1 1853553152 XHHJZAFMUBJLMD-UHFFFAOYSA-N 438.528 2.405 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)c1C 1853742570 AGVPPPDEEIYDQG-UHFFFAOYSA-N 425.510 2.465 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4sccc4F)C(=O)C3)C2)c(F)c1 1854354298 IRESNDLXYIEKLY-INIZCTEOSA-N 430.480 2.457 30 10 IEEE C=CCNC(=O)[C@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614730 YBFUALIKGKKQAN-ZFWWWQNUSA-N 439.965 2.242 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 1862708035 KWPGIRMQPQJGNT-BUXKBTBVSA-N 443.452 2.377 30 10 IEEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1866335659 IUIQWVSYXINNDZ-CQSZACIVSA-N 448.932 2.251 30 10 IEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccc1C(=O)O 1874261738 PWLQYNBPRXTBMA-LIMNOBDPSA-N 447.423 2.293 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)C2)c1 1890006918 GFXLIUIJSNWYQJ-IBGZPJMESA-N 440.525 2.034 30 10 IEEE CCC(=O)Nc1cccc(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)c1 1890354148 DLZLNWVUTKOQFV-UHFFFAOYSA-N 440.588 2.297 30 10 IEEE N#Cc1ncccc1OC1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 1891838589 OMFDSBRQTRBRNI-UHFFFAOYSA-N 430.230 2.446 30 10 IEEE CN1CCN(C(=O)c2ccc(Br)cc2I)[C@@H](C#N)C1 1963651645 NOAARGYUIMMRPM-JTQLQIEISA-N 434.075 2.333 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1993339566 OLHKJDIJDZQEFL-CVEARBPZSA-N 425.526 2.158 30 10 IEEE Nc1cc(Br)c(S(=O)(=O)NCC#CBr)c(Br)c1 2021165647 YZLQPAGMPJHJPL-UHFFFAOYSA-N 446.946 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2052659218 VTQAYUPKZUXDJG-DJIMGWMZSA-N 436.358 2.333 30 10 IEEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661193 VTZUTDJFLVEHAR-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(C#N)cc2Br)C(=O)C1 2181152779 AFJLNARLPJTADR-UHFFFAOYSA-N 437.294 2.339 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@](O)(CNC(=O)OC(C)(C)C)COC 2227476465 YCFLHIUFDXHGIX-VQIMIIECSA-N 427.339 2.291 30 10 IEEE C#CCN(CC(=O)N[C@H](Cc1ccccc1Br)C(=O)O)C(=O)OC(C)(C)C 2237403758 YRXJSXZDMMENEQ-OAHLLOKOSA-N 439.306 2.431 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243389569 KERQVQITOVXNRG-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE Cc1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247901217 HDZIZFBUBBPKML-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255706718 MWWMTWGYLIZRHN-UHFFFAOYSA-N 437.321 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]21 2255861537 NQJIHVXBOPVGFI-DJIMGWMZSA-N 431.342 2.442 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 2257494042 IFIHLGDXFGLVSV-INIZCTEOSA-N 431.342 2.428 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2257686042 JLHOTGBPSZFVNV-HNNXBMFYSA-N 435.374 2.280 30 10 IEEE CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2267163852 ZUGQDOGZESBRPP-QFIPXVFZSA-N 446.357 2.199 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 2267181443 SIZBKGNBBJVAHC-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NC1(CCCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267192390 QFLJGFQURUTGLS-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@H](C)CN1Cc1ccccc1 2267503080 XOZFILQEVBJSNZ-QZTJIDSGSA-N 438.381 2.454 30 10 IEEE Cc1c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267509991 DRCNPBIWUGTZBL-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267530816 GRADFNRAOSTCHE-CQSZACIVSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267536452 JLANHAXOGYSXAI-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267549939 SAAWOHZSXLSMAN-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268654995 GSYWXNIXONRERI-WMLDXEAASA-N 446.353 2.149 30 10 IEEE Cc1cc(CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273791987 NJZZTQRFMQZJAL-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC4(C3)OCCO4)c(Cl)c2)OC1(C)C 2282835164 PZXMPIDWDQQRNU-UHFFFAOYSA-N 443.758 2.167 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 2312837509 TXUWIPYTGMTKKE-DSUJRMEUSA-N 449.548 2.044 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2329322596 USQJYGXOYASYAQ-UHFFFAOYSA-N 425.470 2.153 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 2337291851 KRDYIRQPYCAZPD-JOCHJYFZSA-N 448.373 2.143 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1 102741888 IGWLEASAOQDZQB-VZCCSQPZSA-N 430.530 2.232 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)CC1 443173905 PHCIHDGCLCGITB-SFHVURJKSA-N 444.488 2.237 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 460372632 RQQUZQKVGLRFSP-HZPDHXFCSA-N 435.532 2.341 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 460375559 PXYNNJJCOYDTJK-QFIPXVFZSA-N 448.571 2.402 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 460382574 AQEYWTLIPYUGKV-UXHICEINSA-N 445.589 2.399 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 475650746 XPNASVRODZUBSO-HXUWFJFHSA-N 426.517 2.402 30 10 IEEE CN1CCN(c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccn2)CC1 487630425 WQKMAZYBQXGYBZ-UHFFFAOYSA-N 432.528 2.196 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 492064450 QOMJJMZMWRQJGV-UHFFFAOYSA-N 436.335 2.432 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 505129887 LDGXAYPPHFZZFG-UHFFFAOYSA-N 431.489 2.436 30 10 IEEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 507510518 WUVCVJXRJATJAK-RTBURBONSA-N 444.557 2.383 30 10 IEEE N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 524624654 DGMBMMJIAJAYJF-SXLOBPIMSA-N 447.557 2.417 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)CC1 536168092 JDSKXVVDECQXBD-UHFFFAOYSA-N 426.542 2.369 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544638396 VDDSJEABXUSZCQ-UHFFFAOYSA-N 443.525 2.281 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2CN2CCCCC2)c1 556886445 UVNDSOPRCPWNKX-UHFFFAOYSA-N 426.542 2.139 30 10 IEEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(=O)(=O)CC)CC1 558987866 UZPWGWLZKQXCDW-UHFFFAOYSA-N 428.562 2.485 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)c(OC)c1OC 583292065 RZAKUYODXNZPNV-UHFFFAOYSA-N 449.504 2.230 30 10 IEEE C=CCOc1ccc(NCC(=O)c2ccc3c(c2)N(CC=C)C(=O)CO3)cc1-n1cnnn1 586322898 PDXLGCGAUKMMIC-UHFFFAOYSA-N 446.467 2.433 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)c2C)nn1 591662281 NYIHVNLNLXOKMY-HXUWFJFHSA-N 431.500 2.392 30 10 IEEE N#C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 602022374 JZQSVDZCIZOTGT-GOSISDBHSA-N 447.488 2.427 30 10 IEEE C=CCSc1ccccc1NC(=O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1 682371340 UFWRLVXQXARDNR-UHFFFAOYSA-N 446.598 2.373 30 10 IEEE C#CCOc1cccc(COC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 730402706 HPKDRVJLAHOXJC-SFHVURJKSA-N 432.498 2.448 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)CC(=O)N2C)cc1 734916771 GEQFHCOZLCUDGF-ZAAXVRCTSA-N 427.501 2.489 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@@H]1CCCO1 743727348 ABRNUEHOXICPSW-HNNXBMFYSA-N 431.583 2.362 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccon2)C1=O 747449522 WNRQAWUQRNBKFF-QGZVFWFLSA-N 433.509 2.403 30 10 IEEE C=CCc1ccc(OCC(=O)NS(=O)(=O)c2cnn(-c3cc(C)ccn3)c2)c(OC)c1 748996774 JFJWUBIINMYVHK-UHFFFAOYSA-N 442.497 2.197 30 10 IEEE COc1ccc(C(=O)Nc2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)s2)cc1 758224492 CDEBRNFSUDPMJB-DYTRJAOYSA-N 440.481 2.265 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Cl)c1 758646388 WVNGIIYLZBPKSA-TZMCWYRMSA-N 443.909 2.164 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(C[C@@](O)(c4nccn4C)C(F)(F)F)no3)cc2C1=O 761452494 NLDLWPLETKCGRE-LJQANCHMSA-N 447.373 2.245 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N 768418784 BMCKFQAXTXBUFH-LJQANCHMSA-N 428.497 2.335 30 10 IEEE C=CC[C@]1(C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)CCCN1C(=O)OC(C)(C)C 772783260 FVMSBCKUJNLEHE-NPPFBWRTSA-N 426.554 2.205 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 779614084 XTUAJWPZXPOMBT-UHFFFAOYSA-N 429.473 2.446 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccsc2)N(CCCn2ccnn2)C1=O)Nc1cnccn1 790721988 UYCCHMQZGJNMNW-CQSZACIVSA-N 442.530 2.180 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 794640361 QNJWZNFXCVFXAR-UHFFFAOYSA-N 447.520 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 802327241 YSWSXSSUAWVRCB-QIEZACGCSA-N 432.521 2.153 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812428856 BDKLBLYICMTMGP-WMZOPIPTSA-N 440.525 2.355 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccc(F)cc1 814250726 XZTYIGGNHBDCQE-UHFFFAOYSA-N 446.454 2.228 30 10 IEEE COC(=O)[C@@H]1[C@H]2CN(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCCCN4C)c3)C[C@H]21 814618556 CZBZRRPRLZGUGZ-WGKUFOBFSA-N 448.545 2.162 30 10 IEEE C=CCN(C(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21)[C@H]1CCS(=O)(=O)C1 1125953876 LCNDYSQBOCJCCZ-AAEUAGOBSA-N 427.320 2.077 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)COc2cccc(Br)c2C#N)C1 1130469349 KOOKPWWQVFBAFC-OAHLLOKOSA-N 434.212 2.227 30 10 IEEE CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 1136457761 CKPDGQVZIDIYMF-FQEVSTJZSA-N 428.533 2.108 30 10 IEEE COc1nsc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 1153866679 QSDKUFJBFYXJPA-BDAKNGLRSA-N 431.312 2.403 30 10 IEEE N#C[C@@]12CN(Cc3ccc(I)cc3Cl)C[C@H]1CS(=O)(=O)C2 1176432169 NFPLXKYCTLHZFL-FZMZJTMJSA-N 436.702 2.315 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(Nc4ccccn4)CC3)C2=O)cc1 1178094431 HUMIDRUSRYOJND-IBGZPJMESA-N 432.484 2.261 30 10 IEEE CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccc(Br)c(C#N)c1)CC2 1209998573 FFDWXUILEONFKJ-JKSUJKDBSA-N 429.336 2.261 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)cc1Br 1211414263 BFTLZEVGAADLAR-CZUORRHYSA-N 443.294 2.223 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 1278476846 FXZXOKSRFQDVBH-SFHVURJKSA-N 434.558 2.199 30 10 IEEE C[C@@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)COc2ccccc2O1 1280434717 DYKORQTVDJCBAH-UZUQRXQVSA-N 434.452 2.110 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286319287 YZMNUQDFTFAEPF-QUCCMNQESA-N 445.589 2.140 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCCC2)cc1 1286462368 ISAIYPQBIFJNKN-UHFFFAOYSA-N 431.544 2.465 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2OCC)CC1 1286472396 HLQZTWZKZDAPHV-DEOSSOPVSA-N 439.560 2.132 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286564713 HNQZLAISMJAIGR-QUCCMNQESA-N 434.585 2.380 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286605485 XRHDUWPTTVESPX-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(=O)OC)C1 1286698034 JOMCONOTENOFMY-HNNXBMFYSA-N 432.550 2.204 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1286706130 KGSCWQJZEPCUNB-QFIPXVFZSA-N 431.512 2.246 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1286747400 LSIQAWOAPXWIDT-XLIONFOSSA-N 442.539 2.282 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2nccs2)C1 1286790117 NXMSNHGCAOMHQQ-HNNXBMFYSA-N 430.559 2.267 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(C)(=O)=O)C1 1286799807 AHNTUMDHGUDNFG-QAPCUYQASA-N 438.525 2.383 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)COCC)C1 1286810015 MVKPODLMMYVUKW-IRXDYDNUSA-N 426.583 2.024 30 10 IEEE C#CCn1cc(CNC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)cn1 1297370020 QLBLJMPOWSLPAA-UHFFFAOYSA-N 448.302 2.440 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1297769281 VWDFMHCXLSIMTL-PKOBYXMFSA-N 444.561 2.047 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)c1 1299930176 KBDZLPOJFIJOGE-KBXCAEBGSA-N 426.521 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCn1cnnn1 1300656278 CFRFUNNDGRFMGJ-INIZCTEOSA-N 440.577 2.294 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCc2ccco2)CC1 1300683392 NNYCNWBTPCBFAC-JOCHJYFZSA-N 446.555 2.485 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOC(C)C)CC1 1300684819 AMVQSEOXEMIKGA-UHFFFAOYSA-N 435.370 2.226 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301248173 BKKHKGVPBAVJOW-UHFFFAOYSA-N 446.559 2.465 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1302250975 DVJHXAJXTABMSP-SCLBCKFNSA-N 444.458 2.384 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1302978926 MAASXPLBKXCKPU-AOMKIAJQSA-N 437.454 2.265 30 10 IEEE CC1(C)CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1303960388 UMBLGNUVENRGJT-MRCUWXFGSA-N 435.532 2.417 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1304695896 KBNRWYYCWGLMMV-XJKSGUPXSA-N 441.875 2.199 30 10 IEEE C=CC1(CC(=O)NC2CN(c3nccn4nc(C)cc34)C2)CN(C(=O)OC(C)(C)C)C1 1305733193 MQSFJXVSYPFNQU-UHFFFAOYSA-N 426.521 2.156 30 10 IEEE CN(C(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1314618791 ACOCGHYQRMKWAC-QFIPXVFZSA-N 425.512 2.497 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1314637539 BVBXJYLZUJXJMG-UHFFFAOYSA-N 430.516 2.017 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1315666602 TWLFXERTAMAPCX-IRXDYDNUSA-N 445.545 2.113 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C#N)o2)CCO1 1315948005 IPOKPOAFXIXGHH-GOSISDBHSA-N 439.472 2.230 30 10 IEEE COCCN(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1316067487 DMQYYQPIHNDUMO-VQIMIIECSA-N 448.955 2.378 30 10 IEEE C#CCSCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1354208411 WOOSSYNZZXBXIS-UHFFFAOYSA-N 434.521 2.479 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1358871147 AJLQWXUCSAFHDL-STQMWFEESA-N 445.467 2.293 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1358899754 UIMUQBWOHXSILF-RDJZCZTQSA-N 426.546 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCN(CC)CC1 1358981608 QMLYAAQNZOZWSN-QFIPXVFZSA-N 443.599 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](F)COC)CC1 1359031456 CHJBOEKEDSOGIB-KRWDZBQOSA-N 436.329 2.447 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359052932 VTCQCQNHRXNGIQ-AEFFLSMTSA-N 444.557 2.323 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359058629 KQLWDGRRFFZGPA-UHFFFAOYSA-N 437.573 2.249 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1359107790 VJYATVMPSHOFCE-BOSXTWCSSA-N 425.599 2.232 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359304148 NYGHAYGVUREDHQ-XLIONFOSSA-N 425.533 2.471 30 10 IEEE CC(C)N(CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1360129930 YMRQTJMESJYTQB-UHFFFAOYSA-N 447.547 2.389 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1361162119 ILWCEDAULGXFPH-MOPGFXCFSA-N 427.505 2.008 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1440447171 KREJNQTYUPYFKJ-UHFFFAOYSA-N 435.329 2.336 30 10 IEEE C=CCONC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1449656202 LKGJGBADPHJNRK-UHFFFAOYSA-N 440.522 2.076 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC 1452205565 QFQKAKOXGUGROI-LHHMISFZSA-N 439.603 2.309 30 10 IEEE C=CC[S@@](=O)(=NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1463272871 UXDWQTZIMBILGZ-NDEPHWFRSA-N 437.499 2.455 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 1465553476 BNLDXSGYMAPVCC-YRYLYKBFSA-N 434.464 2.419 30 10 IEEE CCNC(=O)Nc1cc(F)ccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1465676986 PJTIQAKRYNCLQZ-UHFFFAOYSA-N 447.492 2.425 30 10 IEEE Cc1ccc(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1466604918 VNRNBSORPLHFLI-FQEVSTJZSA-N 439.317 2.128 30 10 IEEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3ccccc3Oc3ccccc3C#N)C2)cc1=O 1472120927 HDLLBIVJAKMAIK-INIZCTEOSA-N 431.452 2.159 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCN3C(C)(C)C)nnc12 1472598716 HKSSIFHUPPBBTR-OAHLLOKOSA-N 440.573 2.311 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Nc3nn(CC(F)(F)F)cc3Cl)CC2)c1C#N 1476796368 IEWKNUKMYZKGHU-UHFFFAOYSA-N 430.822 2.367 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]2C[C@@H]21 1478420526 YJTWYVSBWMKHLO-QYZOEREBSA-N 439.516 2.457 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1493302846 BNXJRVSLNCPKMM-IHSNIMORSA-N 438.598 2.222 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CCO1 1494475577 BLKKCXQGLSEBGB-QGZVFWFLSA-N 433.516 2.463 30 10 IEEE CCCN(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1500697296 RGCGYZUPVXIPFV-VXPUYCOJSA-N 428.468 2.369 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507570720 UIVMISLRSHESQT-UHFFFAOYSA-N 440.573 2.228 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1507619361 JDSGWDHMWGQLIZ-KRWDZBQOSA-N 428.541 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1507645655 APCZUBSFHYOMGQ-UHFFFAOYSA-N 430.516 2.330 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCN(C)C1 1507668645 KGVOTUPXZWQBAO-NRFANRHFSA-N 442.361 2.237 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OC1CCCC1 1507712131 CRBYCPIIEJONRV-IBGZPJMESA-N 438.532 2.080 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(C(CC)CC)no2)CC1 1507716934 WPXCWNJSCCFLSB-UHFFFAOYSA-N 427.553 2.111 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2COCCO2)CC1 1507718652 FORDVLANTYTYKM-YLJYHZDGSA-N 445.951 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)Oc2ccccc2)CC1 1507741209 MWYPCKMMAXUPCH-SFHVURJKSA-N 425.533 2.248 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1OC 1507751210 LMICPEQCNXMODG-QGZVFWFLSA-N 434.587 2.192 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1507753242 DIJRCOAALVTUMM-DLBZAZTESA-N 441.557 2.262 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1507955392 XXIFEWKOXQFNSF-IERDGZPVSA-N 434.537 2.383 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507969002 YYCXAGPHKSQAGN-KRWDZBQOSA-N 434.610 2.378 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(N(C)C)CCOCC2)C1 1508130832 XCUMNECIMJFARY-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1512104090 COOGHBACKDIKIW-OPAMFIHVSA-N 443.573 2.381 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515061994 SXDURPDDTRBPBM-KRWDZBQOSA-N 442.955 2.086 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1515081067 VGYSIVNFPIRUAF-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1515966199 LCZCZXDDMCFABB-UHFFFAOYSA-N 449.515 2.442 30 10 IEEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)n(C)n1 1516677448 DHDIHFDANBNLMH-PTGBLXJZSA-N 447.517 2.052 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCn2ccnc2C)CC1 1517610351 PBINDRWHGNCWFR-UHFFFAOYSA-N 447.547 2.264 30 10 IEEE C=CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@H]1CCS(=O)(=O)C1 1520935714 WVEYMLPUVLKFHF-ZDUSSCGKSA-N 429.564 2.292 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1531183880 YTFSSLUWXHXOTC-UHFFFAOYSA-N 434.558 2.199 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1539132307 HWPOBOCEGFHVOY-QGZVFWFLSA-N 430.553 2.165 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539215493 DFZLLBWOWCIAGX-CMKODMSKSA-N 443.573 2.090 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(F)F)cc1 1539239816 RIQBCEIYDQMRBJ-HNNXBMFYSA-N 435.500 2.121 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1539344311 ZULAZGISLLBSFV-CYBMUJFWSA-N 444.483 2.004 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCOC(C)C)CC1 1539434237 DRQTUCCWGVXGEP-UHFFFAOYSA-N 443.548 2.151 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539500260 WEGSQEGGFXWUIB-LJQANCHMSA-N 437.529 2.396 30 10 IEEE C=C(C)COCCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C 1539759967 PSPBGMWURGMWMZ-UHFFFAOYSA-N 427.615 2.419 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539855841 IZXFTCIZSUVQCS-JOCHJYFZSA-N 446.573 2.180 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1539916598 LOSQENMEPOBFNV-IAGOWNOFSA-N 433.582 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCOCC2)C1 1540894391 XEBRJMUFDWILPB-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N(CCC#N)CCN3CCOCC3)nc2C1 1544337817 ZUCDVTRDWSLIQJ-UHFFFAOYSA-N 443.548 2.063 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1552871633 QZDWVSGMODNCSE-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1554607351 GKAXISBJYFELJR-INIZCTEOSA-N 426.521 2.116 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(F)c1 1555663780 NKPBLIGQCKFETG-JXFKEZNVSA-N 428.512 2.366 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1c(F)cccc1F 1555752524 AEGOWLXRRADQGI-KHYOSLBOSA-N 433.459 2.252 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC4(CC3)COC(=O)N4)n2CCSCCCO)cc1 1555988674 LGGPCXRPIQBCJY-UHFFFAOYSA-N 442.545 2.011 30 10 IEEE C=CCn1cc2ccc(NC(=O)CNS(=O)(=O)c3ccc(OC)c(OC)c3)cc2n1 1558514857 ZZUJOFIWMFDRCT-UHFFFAOYSA-N 430.486 2.157 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)CC1 1562063992 IWLLZKPDGMCYLM-UHFFFAOYSA-N 448.589 2.479 30 10 IEEE CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)NCCn2cnc(C#N)n2)CCC1 1564724282 UETVIBDOQKICNA-INIZCTEOSA-N 431.541 2.409 30 10 IEEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCC[C@H]1S(C)(=O)=O 1565975932 PKSPEEAOAOBOOQ-ZWKOTPCHSA-N 426.579 2.451 30 10 IEEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)cc1 1583382454 YAPJQHWNVGFPMG-UHFFFAOYSA-N 440.521 2.172 30 10 IEEE N#Cc1ccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)s1 1585413504 FAIVIKDNSRIVIP-UHFFFAOYSA-N 436.238 2.130 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 1587275333 IOMIWKSJOGQQKF-UHFFFAOYSA-N 439.453 2.144 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2ccccc2C1 1587556007 LVISDTNEMNZUHM-SFHVURJKSA-N 429.528 2.442 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1587831734 SNJCOEHUTVWZAX-LJQANCHMSA-N 443.573 2.371 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1588020106 DZLYFCFKBAJQMN-MOPGFXCFSA-N 446.596 2.266 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCSC1 1588628383 HOOZMCUJIOAWJZ-MRXNPFEDSA-N 438.557 2.031 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1593695250 COLRPRKBKOQFDC-HNNXBMFYSA-N 439.607 2.495 30 10 IEEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1594115995 YZYISDULSBTOAF-OAQYLSRUSA-N 437.592 2.363 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1594194788 XQMDZLMCDMEYNG-QHCPKHFHSA-N 447.580 2.003 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1594856550 GVZBGPSRGKQQPS-KRWDZBQOSA-N 430.528 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1595501601 YYDWDKHGFUWCIE-SFHVURJKSA-N 441.923 2.003 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 1595895511 LPQKCKXCWAGVHY-UHFFFAOYSA-N 446.621 2.301 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1611286984 NBRNQZGIRSOPIP-HNNXBMFYSA-N 442.549 2.013 30 10 IEEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1612442762 MRSZHCJPPGOVOS-GHTZIAJQSA-N 445.593 2.296 30 10 IEEE Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)C2)n1 1612473109 FMUHGNOWALQXMM-HXUWFJFHSA-N 447.547 2.391 30 10 IEEE C[C@@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1612991830 FQYUDYFASJHLPM-HMFYCAOWSA-N 427.528 2.205 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615884753 GDNSNAFVYQQRLO-FPOVZHCZSA-N 429.613 2.013 30 10 IEEE C[C@@H]1CCC[C@H](CCN(C)C)N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1618271605 QCSZMYGEPOUQEP-POAQFYNOSA-N 425.533 2.485 30 10 IEEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1618808259 ZOVJPZARRDYBGT-OAQYLSRUSA-N 435.590 2.399 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@H]2C)cc1 1619228218 FAKMPFMESQYQLX-RTBURBONSA-N 426.565 2.388 30 10 IEEE C#CCN(CCC(=O)NC(=O)NCC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1620580113 LZFQQPQWRRQBEB-UHFFFAOYSA-N 434.459 2.099 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 1622152179 NRXCMJZQTVKPLN-UHFFFAOYSA-N 426.494 2.194 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H](CC(F)(F)F)O1 1633624856 WMYCGWRRGHODNL-KCXAZCMYSA-N 438.406 2.332 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc(CC(=O)NCCO)cc2)CCCN1C(=O)OC(C)(C)C 1636128680 ZFDAHBAFVSNVLC-QHCPKHFHSA-N 429.517 2.069 30 10 IEEE Cn1ccnc1C1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1637167142 HEWCGPDKFVNOCO-JQHMZKTJSA-N 443.548 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1637505768 INLWEWDBLWLLQB-DVSFIDLUSA-N 434.537 2.446 30 10 IEEE COc1cccc(C[C@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)n2nnnc2C)c1 1639265047 AYYSBGPFSSSWQS-FYYLOGMGSA-N 445.527 2.383 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1ccc(C#N)cc1OC(F)F 1643858359 YTRNPVLPCZBGTP-HXUWFJFHSA-N 427.448 2.248 30 10 IEEE CC(C)C[C@@H](C(N)=O)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1644281421 PUILTELZVWTGQZ-JXFKEZNVSA-N 429.565 2.188 30 10 IEEE C[C@@H]1CCN(C(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)C[C@@H]1NC(=O)C(F)(F)F 1651166647 BVLQTXKJJPMRQN-LYSGOOTNSA-N 429.336 2.458 30 10 IEEE Cn1cc(C#N)c(=O)n(CCCOc2c(Br)cccc2Br)c1=O 1652574860 WNNZPKBAYSCGLE-UHFFFAOYSA-N 443.095 2.413 30 10 IEEE O=C(Cc1nc2ncccn2n1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039695 SFVQWJIRNNPMMB-OCAPTIKFSA-N 429.271 2.296 30 10 IEEE COC(=O)[C@]1(C(F)(F)F)CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1655281591 DIAGWQSSRUEHKX-ZDUSSCGKSA-N 441.225 2.437 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1669380138 NJVOICRWBHYJDO-KRWDZBQOSA-N 430.553 2.043 30 10 IEEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CCCC1 1674041687 HLPNXMFQKUYMCO-NRFANRHFSA-N 447.605 2.402 30 10 IEEE C=CCC1(O)CCN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1679136761 KPSCHYHEOSCNLH-UHFFFAOYSA-N 436.452 2.472 30 10 IEEE CN(C)c1noc(CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1682469399 NQXWGLXQTGRNIK-BQBZGAKWSA-N 437.291 2.448 30 10 IEEE CC(C)(CCC#N)CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1683082906 JZMZUEXXDOAWPX-HNNXBMFYSA-N 430.571 2.040 30 10 IEEE N#C[C@]12CN(C(=O)N[C@@H]3CCCCCN(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1684631495 OEMOQDUOZHIQJZ-TUNNFDKTSA-N 430.574 2.011 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1689848058 NTKKPCSLSRYKOJ-INIZCTEOSA-N 435.532 2.163 30 10 IEEE C#CCCCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1689906619 PJYSANMMMPHXLZ-NQIIRXRSSA-N 438.594 2.137 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689986499 REUWYPDUCIODSL-FGTMMUONSA-N 446.548 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)C)n1 1690046645 DYJDBQPUPVPDCX-KRWDZBQOSA-N 445.614 2.466 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccncc1 1690095864 GDOOGDUJAHDIDE-UHFFFAOYSA-N 439.541 2.072 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690184769 OKIRHOGTCDLOEJ-GOSISDBHSA-N 448.614 2.409 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1690592714 GRXXLAKVVQIOHJ-KRWDZBQOSA-N 428.537 2.153 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1691001754 OAYUCPJMFDWYML-GFCCVEGCSA-N 427.431 2.096 30 10 IEEE CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1692022268 ABVRSADIVODKJK-AVRDEDQJSA-N 438.532 2.068 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1692666246 WPNRHAYDJXWJNY-QFBILLFUSA-N 442.589 2.349 30 10 IEEE C[C@@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCCCCO)CCO2 1693876367 BSZYFRDNFSILCS-MBSDFSHPSA-N 441.532 2.276 30 10 IEEE CC[C@H](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1693972636 VEJFUVLDVKTNDV-SXLOBPIMSA-N 439.564 2.436 30 10 IEEE CN(C)C(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1696582232 CNNOHQQTMNTMCG-UHFFFAOYSA-N 443.939 2.080 30 10 IEEE CN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1696744863 HJVNGIYWALHXMW-GOSISDBHSA-N 429.546 2.400 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)C1 1697045208 LHIITFUEKXOEDK-SFHVURJKSA-N 445.545 2.031 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705539810 CVMYOQVPOAMBBQ-SXLOBPIMSA-N 428.537 2.210 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1705564164 MDQLCNKBMZKGKS-INIZCTEOSA-N 434.537 2.384 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1c(F)cccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705571448 ZKOYNZJAXNGRCJ-QGZVFWFLSA-N 445.564 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCC(=O)N1CCOCC1 1705601728 UFEVMBKQFHJVCM-UHFFFAOYSA-N 449.555 2.186 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCOC[C@H]1C 1705624075 PDMHVYYQCSBGFY-QGZVFWFLSA-N 447.967 2.414 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(F)c1 1705626813 JWZHJICPXKWWCB-UHFFFAOYSA-N 425.464 2.474 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N2CCCCCC2)CC1 1705638138 AEYVSWUVXRUANC-UHFFFAOYSA-N 435.576 2.196 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1705642158 IYNPZTGPMWQQKB-QZTJIDSGSA-N 426.590 2.461 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)CC1 1705664626 VZEKUXIKFSNODB-UHFFFAOYSA-N 446.646 2.414 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOCC2(C)C)CCOC1 1706660358 ICECZCHIWOYEGO-AVRDEDQJSA-N 434.585 2.168 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1712622839 VLCXGTLRAXSORN-PEXPKUBFSA-N 433.553 2.469 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCNC(=O)C2CCC2)cc1 1712879648 IKARAMIUELMBME-SFHVURJKSA-N 449.559 2.215 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC(=O)N(CCOC)C1 1722277836 NWPJFSQVGZZTLW-MSOLQXFVSA-N 447.543 2.288 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722332803 OYOINYAGCJCQNW-GJYPPUQNSA-N 432.546 2.462 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1722470348 DOWHRYVPRBBHTH-JOCHJYFZSA-N 438.557 2.425 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1722498018 LEKRACIHJJEPMI-HSZRJFAPSA-N 449.515 2.011 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1722749139 DULYBBDVEWDXTP-KDOFPFPSSA-N 438.525 2.357 30 10 IEEE CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1728492001 CQVIVMLTSWXYQG-UHFFFAOYSA-N 446.577 2.365 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)nn(C)c1C 1728519219 DXGUCEGKGMDINV-UHFFFAOYSA-N 441.561 2.086 30 10 IEEE CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1729857119 KIDRCILVUREANX-KRWDZBQOSA-N 441.536 2.012 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)(F)C(F)F)cc1 1731184149 BHOWKHDKANGMRM-OAHLLOKOSA-N 438.385 2.463 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740576264 TZQLNBWIMJBVRV-CVEARBPZSA-N 427.471 2.480 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740618508 IRCCGYZHNIAGRF-REWPJTCUSA-N 442.585 2.295 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740621673 YMYZHQFLLNZMSB-QUCCMNQESA-N 429.590 2.302 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1740693557 CLFUTVCSMSYQCU-GOSISDBHSA-N 439.564 2.351 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1740693605 FAYVHANRUWOLFP-PMACEKPBSA-N 440.567 2.339 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OCC)CC1 1740705921 ONLFXOOFDISETK-HXUWFJFHSA-N 437.544 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1740994131 MVZTVYKMMJRZPD-SQGPQFPESA-N 426.583 2.013 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1748714327 YQBOMIYTYGINDA-UHFFFAOYSA-N 446.559 2.243 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 1748805516 SZRDEIFSPQYGQC-WBVHZDCISA-N 430.530 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnccc1OC 1748842613 OWTJQNIMYFLDQN-UHFFFAOYSA-N 425.452 2.119 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccs2)CC1 1749211198 WBMRRSTYNIXNBG-UHFFFAOYSA-N 444.605 2.491 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC)CC1 1749216435 NDANHEJQQPJLOO-UHFFFAOYSA-N 430.465 2.334 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749266014 BPIOOSJCIGQBOO-INIZCTEOSA-N 428.924 2.005 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749387035 RFLPRCQMQOWHSB-OAQYLSRUSA-N 444.561 2.297 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749459921 VXDUIYOOBUOHJZ-LJQANCHMSA-N 427.553 2.340 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 1749587365 QOZHOTOUUQPPOT-UHFFFAOYSA-N 444.561 2.474 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@]2(CCOC2)C1 1749680629 NDCKUQAEJPYFSU-QHCPKHFHSA-N 425.533 2.339 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1750032614 ODCDFKGWYHYUPQ-LJQANCHMSA-N 438.532 2.351 30 10 IEEE CC1(C)CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1751289653 DVDRLFMHHQXABB-GOSISDBHSA-N 434.610 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1760103557 HUKHLRVUUZLOHZ-AWEZNQCLSA-N 432.322 2.024 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760149852 GSIWRLWMDDCFRG-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@]1(N2CCOCC2)CCSC1 1760205072 OCIGUCAYKMYVDY-JOCHJYFZSA-N 441.626 2.211 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCNS(C)(=O)=O 1760243730 RASZSONLZBWFKY-UHFFFAOYSA-N 433.553 2.339 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCOC[C@H]1C 1760250616 JITXUZBFUVGLFN-LJQANCHMSA-N 436.560 2.157 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)CC=C 1760296882 YOOQENAQBXXWES-JOCHJYFZSA-N 428.558 2.470 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760307926 YGSIUDJQPSHIIR-KBPBESRZSA-N 433.372 2.094 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1760334670 KSSYMALMGZYANL-DOTOQJQBSA-N 439.486 2.344 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760371581 DXZHYLGYJCSKJR-HNNXBMFYSA-N 425.942 2.123 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760519638 KLLSCBHETVXGBW-IBGZPJMESA-N 449.559 2.250 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2n[nH]c(C)n2)C1 1760536314 GTGHMQCISNCPGD-CQSZACIVSA-N 447.341 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1760557508 NONQAEJYPOGKRR-PKOBYXMFSA-N 427.530 2.318 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1760714307 BBKHGMJJNQVIIV-QGZVFWFLSA-N 435.532 2.241 30 10 IEEE Cc1nc(Cc2nnc(N3C[C@@H](C)[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1762279661 SRCIQHMIQIHUOE-ZSMPXJMESA-N 441.561 2.252 30 10 IEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1766911263 STMCWZNMHKZFBU-BGYRXZFFSA-N 426.521 2.021 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1767078850 LNRSILWLYQWPFC-BWVDKLOVSA-N 440.479 2.432 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(F)cc2C)CCOC1 1767481430 CEBRTCKRUAJOSV-KNQAVFIVSA-N 429.496 2.349 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770797007 UDWWHVQCEKJINW-NHCUHLMSSA-N 442.539 2.350 30 10 IEEE CN1C(=O)CSc2ccc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc21 1851707617 WGGYGSDSRCZRMV-UHFFFAOYSA-N 437.525 2.001 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)cc1 1852835754 JBRVLOOBMPUPRP-HNNXBMFYSA-N 430.983 2.362 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1964922021 FCZMJQFKKUWKOV-HSALFYBXSA-N 428.533 2.295 30 10 IEEE C=C[C@]1(CO)COCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2022246805 ONUJDVASRGSNAS-FHJLPGHOSA-N 434.533 2.261 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1COC1 2060626617 YZCDOHRZPILMLU-KRWDZBQOSA-N 432.326 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@H]21 2124521371 FZZXHDYYRIOUBM-XUWVNRHRSA-N 444.341 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(=O)O)C1 2224128955 AFXSEMOOJHMRBS-OAQYLSRUSA-N 434.298 2.224 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243435700 VOUCHQYHQIXHPR-HUUCEWRRSA-N 430.376 2.397 30 10 IEEE CC(C)(C)OC(=O)N(O)CCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674069 DZHLBFFHSZDCQP-UHFFFAOYSA-N 427.332 2.075 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)C1 2255157362 YPKZASNWZOJWPW-LLUXXFGUSA-N 449.548 2.140 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617263 BQPASSIVGSVSJI-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2255654762 CNGRNWYTJKVKLF-UHFFFAOYSA-N 442.362 2.287 30 10 IEEE CN(C)CCCN(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255819542 BZFLBZNGXCOZFO-UHFFFAOYSA-N 426.370 2.313 30 10 IEEE CCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C(=O)OC(C)(C)C 2255826881 DXTBEMFVXRXQSB-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CCn1cc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2256401256 AEBOTTRHFTYPIL-KHPPLWFESA-N 434.346 2.013 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267148102 WJFPNBOGSCUBCS-OAHLLOKOSA-N 448.373 2.189 30 10 IEEE Cc1cccc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267237328 NRFJAKRGIJFESW-IAGOWNOFSA-N 446.353 2.316 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2267268889 ANZITPIUKAMXLL-UHFFFAOYSA-N 445.369 2.454 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267482715 HVNMBVOANFVHSG-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267513346 NKKPLASVNZTWMB-MRXNPFEDSA-N 448.373 2.095 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267521406 RRCMCVIHXWUINT-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267554832 FZCNASWBBNCFDZ-IBGZPJMESA-N 439.365 2.125 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267588790 QWPBUMZWUJUASR-SWLSCSKDSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCC1 2267884725 SJAJAQNZHAOSJX-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2269062353 RRWGMMGLLARIAX-UHFFFAOYSA-N 441.337 2.233 30 10 IEEE Cc1sc(C)c(S(=O)(=O)NCC2CC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282847033 SIKNUSOBQCKJQS-UHFFFAOYSA-N 443.396 2.096 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)n1C 2337283673 RCSKHUZPUNYMQR-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 21712933 NSODKEXRYVWIID-FQEVSTJZSA-N 443.525 2.403 30 10 IEEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1ccc(OC)cc1 23998341 GROBYFYPUFHNIO-AWEZNQCLSA-N 429.546 2.357 30 10 IEEE Cc1cc(F)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887975 KQJURVVDACHGHA-ZVBGSRNCSA-N 446.512 2.235 30 10 IEEE COc1cccc(/C(C)=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 98053675 LDPKGSRZOUSUGE-ZHZULCJRSA-N 434.474 2.460 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)cc1 135789774 BRLKUCXVNWPXQW-AGGMBTAESA-N 437.496 2.234 30 10 IEEE CC(C)(C)NC(=O)CCN(N=Cc1cccc(O)c1)C1=NS(=O)(=O)c2ccccc21 254756644 YFFWFJNJESRGKG-UHFFFAOYSA-N 428.514 2.482 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 303467178 IDKVIKYEEMGCRW-QGZVFWFLSA-N 447.507 2.271 30 10 IEEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 427701006 GPSMGTYNNRQHBT-JOCHJYFZSA-N 435.871 2.743 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 431232347 CHGYAXLYWKVTSX-NYHFZMIOSA-N 444.509 2.324 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCCc3c2cccc3S(N)(=O)=O)c(C(F)(F)F)c1 443373274 OAWIJVUPDPXAIC-UHFFFAOYSA-N 445.444 2.366 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(C(=O)CCc4ccccc4)C3)cc2C1=O 465106593 FKDAVVQSRCCCJN-LJQANCHMSA-N 431.492 2.432 30 10 IEEE Cc1ccc(CC[C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 466199141 YSAFRCLHXSBXNQ-INIZCTEOSA-N 430.530 2.497 30 10 IEEE CC[C@H](CO)N1CCN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 472252124 QKYOCJRBIHDIBD-LJQANCHMSA-N 427.549 2.335 30 10 IEEE CCCCN1CCc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 472411080 FHXNGAFEYNMPGH-UHFFFAOYSA-N 432.528 2.403 30 10 IEEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 473305753 LFFHBQRJVZNQLI-FQEVSTJZSA-N 449.511 2.190 30 10 IEEE CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488946084 QYQAGBVXSVSHGS-UHFFFAOYSA-N 430.505 2.205 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1C 502539049 IOJKPRAVIPRDSJ-QFIPXVFZSA-N 449.573 2.398 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 507082504 FWTDTQOWPVYULN-NRFANRHFSA-N 437.562 2.499 30 10 IEEE COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c1=O)O[C@H](C)C2 522675867 YRWQHFRIRDJINC-CYBMUJFWSA-N 436.533 2.449 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)nn2)cc1 532037028 UEIRBGKCDYYQRU-NRFANRHFSA-N 431.500 2.195 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543885376 VFQAJXUDOGXYRU-UHFFFAOYSA-N 427.896 2.477 30 10 IEEE COC(=O)c1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c(OC)c1 545510476 KBXGYEPTOUPTOX-UHFFFAOYSA-N 425.445 2.111 30 10 IEEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546216718 FRKBSYJCCBAIJT-QFIPXVFZSA-N 434.544 2.167 30 10 IEEE CCN1CCC(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 558113150 FFSHOLDUKFWORB-UHFFFAOYSA-N 431.968 2.098 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@@H]2CCCO2)cc1C 561702239 RZURAZSRJJUCCW-FQEVSTJZSA-N 445.544 2.487 30 10 IEEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 566990614 QJWIBUUKKXHXBK-LJQANCHMSA-N 442.541 2.425 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCc2ccnc(O)c2C1 571127039 KVQGKIBFOOIBNT-UHFFFAOYSA-N 425.518 2.088 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)ccc1C#N 581343449 SMAQNWCYNJUFRF-UHFFFAOYSA-N 447.539 2.373 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669811415 QADOXPBHZVMDIB-YLJYHZDGSA-N 442.539 2.171 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccnc2OC)cn1 726107779 ABVLMZVINFNOIQ-MRXNPFEDSA-N 428.518 2.107 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCCCC(=O)OC)C1=O 726411796 KPFIQFPCLHBRMH-OAHLLOKOSA-N 425.482 2.245 30 10 IEEE Cc1csc([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 727949161 IUXXTVGFSGFGRN-GWKQSCENSA-N 449.558 2.080 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CCN(c4ccccc4C#N)CC3)C2=O)cc1 740745708 KHOWARWOOQSYBA-RUZDIDTESA-N 445.523 2.419 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCCN1CCN(Cc2ccccc2)CC1 742394525 RHMYGSPKQRUMSC-UHFFFAOYSA-N 427.574 2.216 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCN1C1CC1 745875452 OFIGJJZMVFORTD-FUHWJXTLSA-N 433.459 2.165 30 10 IEEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2ccc(C#N)cc2)c1F 761164595 WCBRTHAWLBSEBH-UHFFFAOYSA-N 441.234 2.365 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1 765543191 IQVZDLCNZLEZKZ-IBGZPJMESA-N 442.589 2.318 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCC2CCS(=O)(=O)CC2)C1=O 768423292 ZGPOMWPWSIGOLQ-MRXNPFEDSA-N 441.550 2.108 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc[nH]n1 772544280 NWBPMEJLYUTVHV-HNNXBMFYSA-N 434.321 2.392 30 10 IEEE CC1(C)CC[C@H](CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)O1 777466630 BRAJOUHMCQOUQG-IAGOWNOFSA-N 444.557 2.343 30 10 IEEE CC(C)c1nc([C@@H]2CCCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 779702292 XZPMDYFVMXPVSG-HNNXBMFYSA-N 431.518 2.375 30 10 IEEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(C)(=O)=O 780181224 XFAMPZWFJZFHCP-RNODOKPDSA-N 438.502 2.222 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NCC(F)(F)F)C(=O)N1[C@H]1CCOC1 782977852 CVDMPRULBRFJRE-GXTWGEPZSA-N 426.420 2.347 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)[C@H](O)c3ccc4c(c3)OCO4)ccc2c1=O 787741783 YKFBCPMMDXZMIW-BUXKBTBVSA-N 439.493 2.452 30 10 IEEE C=CC[C@@]1(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCCN1C(=O)OC(C)(C)C 790762043 WJDUICBEMXLQJX-QOMBBPHQSA-N 443.544 2.256 30 10 IEEE C#CC[C@]1(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCN1C(=O)OC(C)(C)C 808597824 WJRHXEYHIUFPTO-PMAPCBKXSA-N 434.533 2.493 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 812179424 NWEKPWHDJHTPMQ-AEFFLSMTSA-N 448.568 2.220 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCO[C@H]3CCCC[C@H]3C)cc2C1=O 918812610 QPZNLEHOMDFICH-BEFAXECRSA-N 428.485 2.337 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3OC)n2N)c(C)c1 1084240463 JLSXPAGBTAAOGA-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C#N)cc1N(C)C 1129545414 HVZZPWVOOMIPTK-UHFFFAOYSA-N 431.474 2.100 30 10 IEEE N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 1136331551 CDNASMULAFSOML-KRWDZBQOSA-N 428.514 2.186 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(Br)n(C)n2)cc1 1264645131 LIBJQTRFKMBNIN-HMMYKYKNSA-N 440.323 2.248 30 10 IEEE N#C[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CCN1Cc1ccccc1 1265116169 VAJIEQGPJVNETI-INIZCTEOSA-N 433.434 2.211 30 10 IEEE C#C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccc(Br)cc1 1275465827 YZAQGERNPWQQJC-AEFFLSMTSA-N 443.276 2.499 30 10 IEEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3c(C#N)nnn3Cc3ccccc3)C2=O)c1 1278717708 TWXTXCWPQUWIDY-SFHVURJKSA-N 443.467 2.350 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCOCC2)c1 1286379489 ULXVMFRDSGBFAA-UHFFFAOYSA-N 433.560 2.090 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286510421 RZMLFYIYKNDDTJ-UHFFFAOYSA-N 430.534 2.416 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286600885 DZEALPRJKJAOAX-PXNSSMCTSA-N 441.532 2.246 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1)C1CC1 1286737232 LLAGNFFLEZHBTC-LJQANCHMSA-N 449.552 2.148 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1286758105 DIVXAEBNBGXZKO-KRWDZBQOSA-N 426.546 2.409 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286774997 UQNCOVIOPYEZFU-IAGOWNOFSA-N 430.553 2.293 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1286913768 YPXUVBRWAYTCTK-FQEVSTJZSA-N 436.516 2.180 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1287044221 GTJQGKTXUOVMJW-AWEZNQCLSA-N 442.474 2.271 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1287126251 MPAKMJDKTPPGBK-VQIMIIECSA-N 444.511 2.448 30 10 IEEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)COCCO2)CCOC1 1288296241 LCSYQJOHAIOLOM-FGZHOGPDSA-N 433.553 2.254 30 10 IEEE N#Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2n1CCOC2 1289684480 VSTKNDNDVPTJNA-UHFFFAOYSA-N 443.529 2.031 30 10 IEEE Cc1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290793447 IFNVZNKFKNZEGB-LURZSEBBSA-N 436.516 2.156 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1295959347 DKEJXLXFOSSEHI-LJQANCHMSA-N 447.547 2.217 30 10 IEEE CC(C)(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(C#N)cc1 1295970534 JBCIJGHHPSTXRY-UHFFFAOYSA-N 429.498 2.201 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCSC 1300539015 WONSCZSGHYFXJS-QGZVFWFLSA-N 433.578 2.412 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccccc2OC)CC1 1300682091 HEVQCJMJUMODBC-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1301289444 GSBPLHIERKASAQ-UHFFFAOYSA-N 434.504 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](OC)C1 1301592892 GDOJPCHTKYRBQH-IBGZPJMESA-N 434.562 2.300 30 10 IEEE Cn1nc(O)c2c1CN(C(=O)[C@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)CC2 1301840280 ZTBQDROAFBZRAS-LJQANCHMSA-N 437.500 2.417 30 10 IEEE N#CCCCn1cc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)c2ccccc21 1303422731 GPOQIKYYSATACW-UHFFFAOYSA-N 431.496 2.107 30 10 IEEE CC(C)NC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1303450219 HBWGZAJMPGZYLD-UHFFFAOYSA-N 425.512 2.408 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1309775373 BGQKAJGOPVVRHF-UHFFFAOYSA-N 447.488 2.141 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)N(C)C 1316213611 QYQRDWSYOSOXFP-OPYAIIAOSA-N 442.564 2.402 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1316269080 XKAIPMDUCLIOJX-JOCHJYFZSA-N 427.505 2.009 30 10 IEEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 1320239239 HDIVABYBHKZCSW-INIZCTEOSA-N 439.501 2.071 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1348259934 SIRVXQYUYKENEZ-UHFFFAOYSA-N 426.542 2.326 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1358962608 TUFUURDQTZDTON-INIZCTEOSA-N 436.484 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1358990667 WUSNXKOMYBBCST-XDOYNYLZSA-N 432.459 2.074 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1359013467 ZYZSVIGBVWPHEJ-HXUWFJFHSA-N 435.576 2.214 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359127092 ICPAGPNXJOGWRW-CYBMUJFWSA-N 437.342 2.295 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1359217264 UJNXDJHRAHFJBB-IAGOWNOFSA-N 448.568 2.254 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N(C)C 1359263045 NTENEHJMFAZBSM-UHFFFAOYSA-N 434.591 2.429 30 10 IEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1)c1ccco1 1360726749 GZIFHMBOJCCYSB-HSZRJFAPSA-N 434.500 2.409 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1360861899 YHBRFNGUOXNXKL-QGZVFWFLSA-N 439.520 2.081 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1361255762 PFJDFJSKSOBJKL-QQMHEVNUSA-N 440.504 2.236 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1437641415 RFZKVGGRTJROCP-GJZGRUSLSA-N 429.546 2.015 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)c1 1445288248 KMKRSTCCBCWCOE-UHFFFAOYSA-N 447.516 2.483 30 10 IEEE C=CCOc1cccnc1C(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1472077137 CSCRWKYRMLGNGU-OAHLLOKOSA-N 431.489 2.129 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1473267446 WTZKACQPYBITGX-IEBWSBKVSA-N 448.589 2.368 30 10 IEEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCO1 1493339584 FYUNSZCBBIIWGL-FUHWJXTLSA-N 429.546 2.113 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)cc1OC 1504203967 XZJOGZRJQXUFAO-OAHLLOKOSA-N 437.447 2.363 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1507526204 LKCPMQBRTYFHIQ-NVXWUHKLSA-N 430.530 2.142 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OC 1507654071 VJYRWIFCWNJLIL-KRWDZBQOSA-N 431.537 2.084 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCN2CC)CC1 1507722779 ILTYNCAOTHWHNN-IBGZPJMESA-N 438.576 2.202 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507951124 OLTVLIVDSFOTAW-FQEVSTJZSA-N 437.592 2.363 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507959805 OIARHXVTAIMNKA-HXUWFJFHSA-N 435.532 2.450 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1508077726 ZVZSUOSLILUPQD-LSDHHAIUSA-N 447.923 2.373 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccc(C)cc2)C1 1508117640 MWHAOXUYPIFMLU-HXUWFJFHSA-N 435.532 2.198 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)[C@H](C)C1=O 1509408945 DMRYBJOMNXIGIQ-QGZVFWFLSA-N 449.559 2.036 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCc2nc(C)cs2)CCOC1 1516234664 ZBDRMBLVUXSVDR-UTKZUKDTSA-N 446.577 2.447 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1516734476 VKGIMPZXWSBHNO-XLIONFOSSA-N 440.548 2.221 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3cccc(Br)c3)CC2=O)cn1 1521060568 IJPPZVQCLDEQGS-YOEHRIQHSA-N 446.305 2.026 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(F)cc1I 1523980191 MEOUIXOAEBGSBN-UHFFFAOYSA-N 441.204 2.114 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1536465941 BMDGEODEKRDRDR-RKVPGOIHSA-N 437.587 2.344 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1537672357 IUCBACVXKDNXJU-UHFFFAOYSA-N 437.909 2.221 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1OCCC1(C)C 1539257407 JBORPAIGWNTVPF-LJQANCHMSA-N 430.512 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCCC[C@@H]2CC)CC1 1539484189 GLFFGWRHKPKXEV-NRFANRHFSA-N 426.609 2.461 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1539730007 NHSCQRYBPRJAKM-LBPRGKRZSA-N 438.381 2.380 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1540169268 BBISRYUWCVZTJB-HNNXBMFYSA-N 433.509 2.136 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1554524848 XRLRARVRZINIFR-LJQANCHMSA-N 437.500 2.465 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1556956958 FJTKMDOXQFDTJT-QGZVFWFLSA-N 430.505 2.138 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1c(Br)cncc1Br 1561583326 GEEQWSNOKNXBGV-VIFPVBQESA-N 440.161 2.423 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1570674731 FSVOMOINWSKGTB-HNNXBMFYSA-N 430.486 2.082 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)nc1C 1585262094 XAFPDLIADVESNQ-SCZZXKLOSA-N 435.453 2.470 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)c1cc[nH]n1 1587579055 CLVFEEPRFCHYCI-CYBMUJFWSA-N 429.431 2.158 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1587581035 UMRPDZNVIVZFFV-OAHLLOKOSA-N 441.561 2.201 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588035354 SJWMGFJXTMUAMT-HKUYNNGSSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCOC[C@H]1OC 1588093163 DGEUCIXXFRVNOQ-DENIHFKCSA-N 430.512 2.460 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCOC[C@@H]1OC 1588093166 DGEUCIXXFRVNOQ-UGKGYDQZSA-N 430.512 2.460 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C(=O)OCC 1588121423 DMPTZAXQPNJIEA-CQSZACIVSA-N 432.926 2.186 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCOC[C@H]2C)CC1 1588898919 HSQPBAMYQNLNGB-APWZRJJASA-N 425.533 2.485 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1589559985 WGLYKSVDXWFWFU-TXPKVOOTSA-N 430.578 2.317 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1593827013 VFXRKFQHQWRGJY-HIFRSBDPSA-N 447.923 2.438 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1593894564 CKASFXYEGWYPGH-UHFFFAOYSA-N 426.912 2.142 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1595200768 PPFJKEQWKOUPRX-OAQYLSRUSA-N 427.578 2.121 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1595496915 KQSPIEFQVKJSID-WBVHZDCISA-N 431.562 2.276 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(F)(F)F 1595811850 CXVSJGRKVLITJQ-UHFFFAOYSA-N 442.467 2.116 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1595884951 XKVHAAXRDPGZTL-YJBOKZPZSA-N 428.649 2.433 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OCC 1596595841 MCRMXFRGGVROKH-NVXWUHKLSA-N 425.551 2.073 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCc1cccc(F)c1 1608578856 HYOUMZXNJINHRH-FQEVSTJZSA-N 439.539 2.365 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc4c(c3)C(=O)NCC4)C2)C1 1611288774 UPIMLEMEBYQVIK-JZGPVCMCSA-N 438.528 2.376 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CCO2)cc1 1611499968 KDSNSGIWBQKXJG-ZWKOTPCHSA-N 431.539 2.373 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1 1617370154 FJOZGTHAGBXLBE-OAQYLSRUSA-N 446.577 2.413 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)cc1B1OC(C)(C)C(C)(C)O1 1623715658 CEVPKWHWCAAJEQ-SFHVURJKSA-N 439.365 2.079 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1627244457 YKIKPHUJFXMXLF-IBGZPJMESA-N 443.548 2.039 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1628507490 DKFNYQWWODVXGF-WBVHZDCISA-N 430.501 2.470 30 10 IEEE CCc1ccc([C@H](C#N)NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1628903972 SMZZHUVJEQEEQL-ROUUACIJSA-N 435.546 2.354 30 10 IEEE COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1632874065 BPBDNJWMPKUUBU-ICFOKQHNSA-N 445.369 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 1638380561 PDENLXZKEBUZJD-UXHICEINSA-N 430.549 2.457 30 10 IEEE CCO/C=C\[C@@](O)(CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(F)(F)F 1641569673 HPVRRFXONZFACV-JTHGQSKGSA-N 425.411 2.110 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)CCOC1 1641763653 IONAADYLJJEULT-VWLOTQADSA-N 449.507 2.227 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 1642484195 LBAIYPLAPCORGK-GHTZIAJQSA-N 425.554 2.096 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1651131799 AXKSRKZQHFTPSN-SFHVURJKSA-N 444.509 2.153 30 10 IEEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C#N)c(SC)nc1O 1653481786 VHLIENVTPHIPDN-CQSZACIVSA-N 436.534 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](F)COC)CC1 1690154564 RRUAGOOYXZEZKY-GUDVDZBRSA-N 449.571 2.147 30 10 IEEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1690341104 FKUDSNINLNDELF-CQSZACIVSA-N 441.923 2.300 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1690510012 QDMQFBKFXUVTNK-IBGZPJMESA-N 425.533 2.281 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2scnc2C)nnc1[C@@]1(OC(C)C)CCOC1 1690676988 KEAZRISHVJDLGJ-HXUWFJFHSA-N 434.566 2.022 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1705479344 HTMAPPFWBDXACS-ORAYPTAESA-N 436.329 2.371 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1705492574 SPAPSGUCQCYKFQ-SJLPKXTDSA-N 432.569 2.377 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2cn[nH]c2)c1 1705507306 XSBPLWSXXINRMT-LJQANCHMSA-N 433.516 2.194 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705561903 VOYOIRWYJOGXHX-QGZVFWFLSA-N 436.965 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705563292 URSKZQCHBHUIAV-HXUWFJFHSA-N 442.585 2.439 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1705565088 SHIDJAASSBQTAN-IBGZPJMESA-N 425.489 2.154 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCn1c(O)nc2ccccc21 1705601178 ALPRJGZJZHNZRK-UHFFFAOYSA-N 442.527 2.358 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1705633318 OIAQGJJJENXFBI-OALUTQOASA-N 437.596 2.048 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705736927 GMEFZWKPURGDKD-FQEVSTJZSA-N 432.613 2.202 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)C1 1705925865 VLEACXKKVIMFCJ-CMKODMSKSA-N 446.573 2.429 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1711172123 XREUARDUSWJCKY-IBGZPJMESA-N 427.505 2.067 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@H](C)O1 1712283883 HWECAKQOYQIFQV-QFBILLFUSA-N 431.562 2.172 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C1CC1 1722279786 QQFGVHFCTFKENA-SPLOXXLWSA-N 430.578 2.166 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1722359942 XQHBJZLTLICNCL-QFBILLFUSA-N 430.574 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1722378379 OLKZDGKWYMUAMY-XUTLUUPISA-N 434.887 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N1CCN(CC)CC1 1722399083 HXGHCBOIUSCMNU-LJQANCHMSA-N 439.633 2.123 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1722450904 DKGOSARIGVMETN-ULQDDVLXSA-N 425.624 2.414 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1722462283 ZHWFCFKNROGGLA-UHFFFAOYSA-N 447.992 2.184 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1722669057 KKOXWHJUKRWYEY-QFIPXVFZSA-N 438.557 2.238 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCSC1 1722680537 PMNPOJFAMJMXDB-OAQYLSRUSA-N 428.562 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722697571 MJLZGKDSJMMXBX-INIZCTEOSA-N 443.552 2.269 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)C1 1722713863 JWHBULCWJXXWJH-RTWAWAEBSA-N 439.560 2.312 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)NC)C1 1722719121 XKLHJWKOFCOWSH-CQSZACIVSA-N 443.932 2.068 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1723628854 BYDQMFKAAUDSCV-MRXNPFEDSA-N 436.438 2.499 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCOC2)c(=O)n1C 1724366985 GJHXJXJURJSTKG-LJQANCHMSA-N 448.527 2.257 30 10 IEEE Cc1cccnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1724799183 FRUULUFWLNZGEK-UHFFFAOYSA-N 444.543 2.366 30 10 IEEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 1727349944 BJTYJGQNECUAEU-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1727906311 ALJHMRFFHMVHRE-QHCPKHFHSA-N 437.548 2.362 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@H](C)CC#N)CC1 1728634616 CJKFUMNIXYMBBE-GOSISDBHSA-N 439.564 2.440 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CC)c1 1728903553 HYHVEGLQRMQUKX-SFHVURJKSA-N 437.504 2.249 30 10 IEEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N(CCC#N)CC2CC2)n1 1729587628 BGSKNQCJIGEDLS-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1729930137 YEEFRHITVVUSIP-XZOQPEGZSA-N 438.532 2.212 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1730401258 GGPTWVXSWBKKLL-TZIWHRDSSA-N 433.516 2.337 30 10 IEEE COCC1(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CCOCC1 1730519851 QUVBTOPLGNPCPG-GCJKJVERSA-N 435.569 2.358 30 10 IEEE C#CCCCn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1740596411 DZHVZVGEKVXUIW-SIKLNZKXSA-N 427.553 2.393 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1OCCC1(C)C 1740689055 YJGTWALAUKRYAC-KRWDZBQOSA-N 431.562 2.171 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCCn2ccnc2C)CC1 1740706089 RBFNRHDNGVDRHJ-UHFFFAOYSA-N 425.581 2.428 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1741134741 HUCNKGSHTBBETH-MRXNPFEDSA-N 433.472 2.234 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1741242197 DERFACAIYLPAIE-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1743406135 JCGNDTDUCOJCFU-PMACEKPBSA-N 438.532 2.117 30 10 IEEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1744249019 CWJQIXJWANSFFU-QHCPKHFHSA-N 438.532 2.071 30 10 IEEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1747533612 BUDDXTGHFQCQAB-UXHICEINSA-N 438.532 2.448 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1747540418 CFISVTFKAMDIFN-UHFFFAOYSA-N 449.559 2.134 30 10 IEEE CNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1748072065 FRZRKZSDJBUEFI-AWEZNQCLSA-N 445.955 2.372 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1748756282 IOJUVCUTAQDDQH-UHFFFAOYSA-N 436.545 2.384 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1748830436 WDMFBKGLDHCAMZ-XMMPIXPASA-N 445.527 2.145 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(C)C)cc1 1748948103 HYGBAIYDKBSGCM-UHFFFAOYSA-N 425.533 2.436 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCC[C@@H]1C 1748960348 IFNFLGCJIRTAOQ-SFHVURJKSA-N 442.564 2.356 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1749033224 BDMOYLBMJNSTPQ-ZWKOTPCHSA-N 447.511 2.452 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 1749039478 VADWUNHTKMSWNW-KBPBESRZSA-N 436.525 2.325 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749219489 JJMRCHYJMIWKAK-OAQYLSRUSA-N 438.576 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CC2)N(C)C)C1 1749694437 RWFPMOZUCCPQLE-ROUUACIJSA-N 425.537 2.047 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1750175404 CNVPSSMLRFYOLZ-LJQANCHMSA-N 426.521 2.116 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1750379825 XNUBQVZSUWKKSQ-LAUBAEHRSA-N 449.481 2.062 30 10 IEEE CC(C)[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750680631 IOYOHDMOZQBGSF-FTHOYRMOSA-N 430.553 2.254 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760141225 NSFWLFJIHKAZGH-UHFFFAOYSA-N 440.592 2.433 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760158484 MKFMFXOPJQHHIB-QGZVFWFLSA-N 430.505 2.036 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCC(C)C 1760170024 MRIHYIFAZZJQDJ-NRFANRHFSA-N 432.594 2.495 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760188771 MRFQVIUKPWTQCR-QUCCMNQESA-N 444.605 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1760216688 XKXUBVGYTSEYBO-DEOSSOPVSA-N 432.528 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2sc(C)nc2C)CC1 1760272923 FFHSXCMUZAHLOX-UHFFFAOYSA-N 430.578 2.096 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1760461525 XIESQLHCWHHZFI-UHFFFAOYSA-N 435.454 2.308 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1760480696 CFGVNRUHRBFRFT-RXVVDRJESA-N 448.614 2.241 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(F)c2)CC1 1761462978 CTPOHOFFTGVCCT-LSDHHAIUSA-N 434.541 2.498 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CCC1 1767191623 CJJCKUKOTFSNHL-LJQANCHMSA-N 449.559 2.086 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1767420721 HGDXOTQMCJXQFL-LQBOVUBWSA-N 443.573 2.239 30 10 IEEE CCOC1CC(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)CC#N)(N2CCOCC2)C1 1767663829 NPSHKUWEDYHGKS-CTDOOQEKSA-N 432.569 2.138 30 10 IEEE CNC(=O)c1ccc(CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)cc1 1769179283 ZTLHXROIFLOUKF-UHFFFAOYSA-N 428.456 2.244 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770787056 RRWWGBSEVPHRQO-KRWDZBQOSA-N 438.463 2.473 30 10 IEEE COC[C@H](F)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770792134 NLQFLFHFIMIDJI-DOTOQJQBSA-N 428.516 2.297 30 10 IEEE CS[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771396803 DVPBKXHTOMEDPB-ZMSDIMECSA-N 428.566 2.258 30 10 IEEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4C#N)CC3)cn2)cc1 1851413207 RWQOLLANKNUBLP-UHFFFAOYSA-N 429.480 2.139 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)COc3nc(Cl)c(Cl)cc3Cl)CC2)n1 1851872372 VFQVFSSJJPDFTL-UHFFFAOYSA-N 427.679 2.431 30 10 IEEE N#Cc1cnn(-c2ncccc2C(F)(F)F)c1NC(=O)C1CN(c2ncc(F)cn2)C1 1852066236 QNAXLALQOGCMQP-UHFFFAOYSA-N 432.341 2.162 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 1852368251 KUKBAGMSCASULB-PMACEKPBSA-N 435.484 2.132 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)Nc4ncccc4C#N)CC3)CC2=O)cc1 1852423128 MQOBSEAQKPBHBF-NRFANRHFSA-N 445.523 2.488 30 10 IEEE N#Cc1cnn(-c2ncccc2C(F)(F)F)c1NC(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1 1852497838 WBKIWOFOMOPQHX-GFCCVEGCSA-N 448.405 2.124 30 10 IEEE C[C@@H]1C[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)N(C(=O)OC(C)(C)C)C1 1852534959 KRSYPHJNEDTYLK-MJGOQNOKSA-N 443.548 2.264 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854646502 YCYMBGDGPWWTEM-ZDUSSCGKSA-N 447.900 2.282 30 10 IEEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC[C@H](Oc4cnccc4Cl)C3)CC2=O)ccn1 1856307892 ZNVFBRUQGYUMRE-PBHICJAKSA-N 425.876 2.144 30 10 IEEE C[C@H](C(=O)O)n1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)cc1C(=O)O 1857885943 XHJFTTKEVXDCDV-SNVBAGLBSA-N 445.453 2.022 30 10 IEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862481547 GEVMFVVYUULCSN-LJQANCHMSA-N 439.424 2.323 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674386 MXERGARYQOMJMR-FQEVSTJZSA-N 426.444 2.442 30 10 IEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871654082 IPRWFLUQYSTODJ-UHFFFAOYSA-N 435.891 2.128 30 10 IEEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/n1c(S)nnc(C(C)(C)C)c1=O 1873498244 YCPDWSPMBJHTHG-ZVBGSRNCSA-N 445.501 2.392 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)c(Cl)c3F)CC2)CC1 1889991541 AVZIPIBUXZGFBI-UHFFFAOYSA-N 425.907 2.490 30 10 IEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC2CN(C3CCOCC3)C2)CC1 1890158113 YIJVUKFLTJMVIA-UHFFFAOYSA-N 441.557 2.471 30 10 IEEE C[C@H](C(=O)NCC#CCN1CCc2ccccc2C1)N(c1ccccc1)S(C)(=O)=O 1891351244 QXMLSEDOUBPMPH-LJQANCHMSA-N 425.554 2.019 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CO1 2060638340 VUXQQBTXBOSFHM-DMRKSPOLSA-N 436.358 2.467 30 10 IEEE N#Cc1cnccc1-n1nc(C2CNC2)c(I)c1Br 2070600078 OPKOUIXSMKCHDV-UHFFFAOYSA-N 430.047 2.193 30 10 IEEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2174784154 KVXRBSDPTBYLTP-FUMNGEBKSA-N 432.546 2.246 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2247833705 KOOIKDOGZNTHGK-BETUJISGSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247835000 DYHDIQZWQKLVTF-ZDUSSCGKSA-N 437.371 2.475 30 10 IEEE C[C@@H](CO)N(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247912919 NRBYWZOELZAYSW-AWEZNQCLSA-N 433.745 2.396 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255533799 YHBYVMZFUYFNFA-MNOVXSKESA-N 447.288 2.114 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2255874033 QIGPBAAPUCTGPW-HZPDHXFCSA-N 431.342 2.158 30 10 IEEE CC(C)(C)OC(=O)N(O)CC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2256659321 ROSXRPGCMKJCME-UHFFFAOYSA-N 432.326 2.497 30 10 IEEE CN(CCn1cc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2256732838 HLXBKKHWXMTZIX-UHFFFAOYSA-N 432.330 2.115 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267091541 JCIPSPGEVCEKFL-ZNMIVQPWSA-N 446.357 2.227 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267096148 RFJFBMAVPDLRDF-CABCVRRESA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267097804 SHQDYIVJSWEDES-CABCVRRESA-N 446.357 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267136932 MYNQNDDLQXLGCF-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267260229 LDCJYWLGTOUKMF-JOCHJYFZSA-N 449.332 2.460 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267870212 BKUYYWSOQZCYDK-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269049341 FZJSRTFWGULAPL-HSZRJFAPSA-N 440.305 2.038 30 10 IEEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)CC1(C)OCCO1 2282334890 HVMOOUMZZWUESA-HNNXBMFYSA-N 425.356 2.053 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCNCC3)[C@@H]2c2ccccc2F)cc1 2296557168 RKSGQGZYWUZBMR-OAQYLSRUSA-N 439.487 2.161 30 10 IEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccnc1 2329056442 FROUDRWFQDXWDE-INIZCTEOSA-N 430.534 2.325 30 10 IEEE C[C@@H]1C[C@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1Cc1ccccc1 2337293696 GALQINAPEMMSCN-MJGOQNOKSA-N 438.381 2.454 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)cc1OC 102756218 VRKKDGPQJOTHSR-GOBJLOIFSA-N 442.516 2.037 30 10 IEEE Cn1c(=O)c2c(nc(NN=Cc3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)n(C)c1=O 254531435 PSFYVTGDPMBSLG-UHFFFAOYSA-N 447.455 2.031 30 10 IEEE COc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c(C(=O)N2CCCC2)cc1OC 427124667 UPPWMMKPUWPEEG-UHFFFAOYSA-N 430.486 2.316 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(CO)n2C)cc1 431229535 NGTFUVWBCHPFLH-UHFFFAOYSA-N 426.502 2.326 30 10 IEEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)o1 442147337 CYOGABHPKHBCPZ-BEFAXECRSA-N 432.484 3.038 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(Nc3nc(C)cs3)CC2)cc1 442549562 ATIUQAXYSPPTAA-UHFFFAOYSA-N 427.530 2.409 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](CO)Cc3cc(OC)cc(OC)c3)cc2C1=O 444460497 WPXTYTFOSQEDLI-MRXNPFEDSA-N 438.480 2.067 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)c1C#N 460513567 ANZNWDMFNOQGNU-CQSZACIVSA-N 431.953 2.482 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCCO2)CC1 461062266 VUYXBLKQTWSYFI-TZIWHRDSSA-N 438.532 2.133 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCN(c2ccccc2)CC1 473291260 KEDAWYHORPOQHD-QGZVFWFLSA-N 426.542 2.258 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CSC[C@@H]3C(=O)N(C)Cc3ccco3)CC2)o1 475453379 MYEKRYRWHCWJEX-GOSISDBHSA-N 443.529 2.224 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc([C@H]3CCS(=O)(=O)C3)n2C)CC1 480919024 BQXPYSSTTPVHFT-LPRCSBTHSA-N 439.607 2.129 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 498372600 HFZPTRSSTARIMZ-IRFCIJBXSA-N 429.590 2.174 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 505630167 FNJYUMIMKBBYQK-UHFFFAOYSA-N 448.564 2.382 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2nc(C)no2)CC1 508817525 OKFMZDWMSYWPPO-UHFFFAOYSA-N 425.493 2.162 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)s2)CC1 508885263 NXIAHXDULPZFBR-CYBMUJFWSA-N 445.014 2.111 30 10 IEEE CCc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 513857177 HYMUGKBQWCEIDZ-UHFFFAOYSA-N 433.512 2.365 30 10 IEEE CCN(CC)C(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 540551005 WEZIEINBGLXWEM-JOCHJYFZSA-N 443.567 2.115 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)CC2(C#N)CCCC2)s1 546777524 URYBQEXMYSHAMG-UHFFFAOYSA-N 433.621 2.324 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 554192439 DGYWXCOVORROIQ-IBGZPJMESA-N 434.562 2.436 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCS(=O)(=O)c2ccccc2)n1 574478765 VLWMBBNHULAHQV-UHFFFAOYSA-N 429.889 2.993 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CC1 605416619 ABAYJVOAALMLFJ-UHFFFAOYSA-N 439.444 2.070 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O 730141337 JKAPXEABBZXYFV-HNNXBMFYSA-N 426.489 2.450 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 735849232 YRNKOWLEXXBHLC-VHEBQXMUSA-N 437.422 2.102 30 10 IEEE N#Cc1c(COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cn2ccccc12 746748766 WQNYXSLFNIYPGG-JOCHJYFZSA-N 428.448 2.330 30 10 IEEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 746922528 FHEKJEFYGILAEN-ZDUSSCGKSA-N 425.445 2.058 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCO)C(=O)O 757335597 ZXCKLEPWXSTUKC-LEWJYISDSA-N 438.480 2.422 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2)n1 760913256 NJSUOZAWNCZOMG-UHFFFAOYSA-N 432.528 2.386 30 10 IEEE Cc1cc(C#N)ccc1CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 776802395 MNGUUMCSXREMRE-UHFFFAOYSA-N 447.582 2.085 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 780858343 FAEXTCAOBVKQOF-OAQYLSRUSA-N 449.898 2.140 30 10 IEEE Cn1ncc(Br)c1C=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1 782242682 KGRJPRJWPIVNAA-UHFFFAOYSA-N 442.324 2.281 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1cnn(C)n1 807928634 BTKSYEKBGBJJCL-INIZCTEOSA-N 436.501 2.074 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](CC)OC)c1 809944453 WTSFUMHIARXKCI-OALUTQOASA-N 430.574 2.092 30 10 IEEE C#CCN(c1nnc(CN2CCCc3ccccc32)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 812185580 TTWVYULFRQLEJC-HXUWFJFHSA-N 439.585 2.434 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@@H]1CCCO1 812263637 CHECLDNMIIPAOE-ROUUACIJSA-N 431.562 2.044 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 914604539 IJDRPNFGAMRTSK-UHFFFAOYSA-N 445.520 2.132 30 10 IEEE COc1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1OC 916934744 JJHIMQBWBUCNAW-QGZVFWFLSA-N 425.441 2.497 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(C3CCOCC3)nn2C)cc1 1125203503 XTBPDPDBZADFEK-HIXSDJFHSA-N 445.545 2.379 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1130302445 ADFKPDKRJUZMLK-GOSISDBHSA-N 440.569 2.418 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1136064007 AVKBCGVDVLWTSX-HXUWFJFHSA-N 439.537 2.218 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1137537655 SJJYLHIAMLBRMB-KRWDZBQOSA-N 447.348 2.307 30 10 IEEE C#CCn1cc(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)cn1 1139861658 ZAGLWYBVENCGFQ-UHFFFAOYSA-N 428.448 2.257 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1233991898 SFCUGMAFNCPYIX-LJQANCHMSA-N 434.422 2.169 30 10 IEEE Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 1264215573 VAVOOQKYIDEORY-UHFFFAOYSA-N 445.932 2.414 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccnc1C 1286284526 DRYYPUUOOVXZDU-HNNXBMFYSA-N 438.561 2.037 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1286371454 RRIWVTDZNIBZOJ-UHFFFAOYSA-N 441.488 2.037 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCS(C)(=O)=O 1286458408 TUSKZWWNMXRZOO-UHFFFAOYSA-N 447.561 2.457 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1286484746 NZBNAWMKMFPAKR-DVECYGJZSA-N 436.560 2.281 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC(F)F)cc2)CC1 1286492792 PRYHKKJYNUGJQY-UHFFFAOYSA-N 447.486 2.430 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286549549 XXIXQEKMNZWUEQ-HOJAQTOUSA-N 441.580 2.200 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286722017 OFAXGDBCOLKVJI-LJQANCHMSA-N 441.561 2.177 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1286726042 ABPMZZWCWKFUPM-HXUWFJFHSA-N 429.590 2.447 30 10 IEEE N#Cc1ccc(F)c(CNC(=O)c2ccc(I)cc2-n2cnnn2)c1 1288852741 GBZMVZDBDJYSEY-UHFFFAOYSA-N 448.199 2.208 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1290271568 OLKCQLVZUMQHDH-UHFFFAOYSA-N 441.406 2.461 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)N1CCOCC1 1292083398 DVPVQBYLSGWALN-HTAPYJJXSA-N 431.585 2.047 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCc1ccc(OC)cc1 1292114060 PSTBWNKYMXCBFY-INIZCTEOSA-N 425.913 2.464 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1297156612 FDPUFSPJBMLTNB-XMSQKQJNSA-N 442.495 2.422 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N(CC)CC 1297287981 OWWKHQXTULNGGD-SFHVURJKSA-N 426.569 2.138 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1300381891 KEESZFIHOGLOMW-MOPGFXCFSA-N 428.581 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1300522869 OPQMLRNKMRZJGJ-RUZDIDTESA-N 447.539 2.436 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCSC2(C)C)CC1 1300682727 PVCTXGBGRWEWIC-QGZVFWFLSA-N 432.638 2.483 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1300896380 DVCGBWFGDXZFPR-NVJIOZQYSA-N 447.580 2.016 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1300897026 MWZWAKGCJYQAOL-XQQXVUDOSA-N 448.564 2.301 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301259688 PBUHAQFTTUOIOO-QFIPXVFZSA-N 429.496 2.305 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)C1 1301554950 PZNLQXNTPYCGKE-MRXNPFEDSA-N 429.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1301567729 KZQCKJPXBLYTCQ-ZWKOTPCHSA-N 435.594 2.131 30 10 IEEE COCCOCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302211411 IHEFAJCAFTZDTM-SFHVURJKSA-N 428.512 2.314 30 10 IEEE CSc1ccc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1C#N 1303623128 QIOJFZMLRPVWRF-SFHVURJKSA-N 440.525 2.457 30 10 IEEE C#CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656024 OZRPFEVHVQDYIZ-ROUUACIJSA-N 431.533 2.023 30 10 IEEE C[C@H]1N(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1305243551 WRENDNAWOBVJMX-BSBNDGSWSA-N 436.516 2.475 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1315827045 WJYSOYBSPJTTDN-PKOBYXMFSA-N 439.495 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1ccccc1F 1358872130 OUVBSECOCIDKKV-JYJNAYRXSA-N 437.541 2.343 30 10 IEEE C#CCCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1358918421 UFEBOZILERNUFQ-DEOSSOPVSA-N 449.559 2.327 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1358923574 UGHTYQQHGDDHRJ-UHFFFAOYSA-N 426.546 2.138 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1358940178 QCPCOAMRTIQEIF-NZQKXSOJSA-N 427.549 2.311 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1358950305 GDZLIXMZOGVACJ-NRFANRHFSA-N 430.512 2.499 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1358955480 MSCXLBDBFWCISE-LJQANCHMSA-N 438.557 2.262 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358964874 IXDZXYKNGRAOGL-MJGOQNOKSA-N 449.646 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)noc1C 1358976778 QDJVPADSBOSUGV-UHFFFAOYSA-N 441.495 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C(C)C 1358992081 ZCMHVUAKSWYWEB-UHFFFAOYSA-N 441.605 2.041 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1359257651 QRMJWKZUWHPQOL-UHFFFAOYSA-N 429.488 2.295 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1359273789 OBPJQBLPPBVDJK-UHFFFAOYSA-N 426.546 2.272 30 10 IEEE C=CCNC(=O)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@H]1CCC(=O)N1 1359305606 HYOVKSRVAOOJME-VVFCZOMOSA-N 446.939 2.373 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](COC)C1 1359328510 GHCFZAUQZYNWQN-MRXNPFEDSA-N 449.533 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)CC(C)(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1359335510 NFLXTONHVJEUDZ-HXUWFJFHSA-N 428.599 2.402 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nnc2n1CCCCC2 1360486774 GTKDROQXZDGXSK-INIZCTEOSA-N 447.547 2.077 30 10 IEEE CN1CCN(c2cc(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)ccn2)CC1 1464202777 AKYIAKUXYFVQEL-IBGZPJMESA-N 444.580 2.427 30 10 IEEE C#CC1(O)CCN(C(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@H](C)C2)CC1 1470364946 KHLVVCOZFALOJV-CALCHBBNSA-N 440.569 2.322 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(Br)cc1 1470663729 QXCFEBSTGQXNSU-ROUUACIJSA-N 433.350 2.071 30 10 IEEE CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1471799410 LNTWKEBSZJEQFV-PBHICJAKSA-N 426.452 2.182 30 10 IEEE O=C(NCCc1cccs1)C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1473247969 YNFALMTYUBMJQP-UHFFFAOYSA-N 435.549 2.418 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCn2ccnc2C)CCOC1 1502682108 UQHCFBUXMKQUSU-SFTDATJTSA-N 431.516 2.358 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccs1)N(C)C 1504998881 LGTZRTUEZLBNFO-IXDOHACOSA-N 434.566 2.095 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1ccn(C)n1 1505059726 BMCUJINFIPYIIK-FPOVZHCZSA-N 435.532 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCS(=O)(=O)C1 1507544857 DTNOFXHQKLJJFE-IAGOWNOFSA-N 432.546 2.148 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(CC)C1 1507620396 DRTDDVQOEVPFME-QFIPXVFZSA-N 435.620 2.054 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1507631713 SCAXFTRTBRWHIX-QGZVFWFLSA-N 442.932 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(C)(C)O 1507658881 QTENZOOZSZVTKG-UHFFFAOYSA-N 427.936 2.485 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCN(C)C1 1507702348 UJZMWNXKIXRKGX-REWPJTCUSA-N 427.524 2.365 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCn1cccn1 1507810070 ZDZALLCNLPQFKJ-FYQPLNBISA-N 430.553 2.316 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CN(C)C1=O 1507999340 ZCHPMSXUXKLSDT-HSZRJFAPSA-N 435.532 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508133448 JJGPUFBMAZHTGO-QZTJIDSGSA-N 446.529 2.222 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508147992 OVYYDZHWWAKCSY-IERDGZPVSA-N 444.561 2.229 30 10 IEEE CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)OC 1513250426 CRMDIWVLNNLDDU-MAUKXSAKSA-N 426.587 2.224 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cccs2)CC1 1516990526 HQGDLEMFCJSWMZ-UHFFFAOYSA-N 435.557 2.289 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@@H]1C 1519162417 FXNZCVYJGDZODA-PKOBYXMFSA-N 437.548 2.047 30 10 IEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1520265561 CHEWHDYRNYMYHE-IEBWSBKVSA-N 429.546 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC=CCC1 1538974480 VMFKGQCYVZHLBT-KRWDZBQOSA-N 441.605 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1539232422 BTFVAKNHQCWHNA-OAQYLSRUSA-N 446.555 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](CC)N1CCCC1 1539245715 JZKIYQWYRKEGSQ-HXUWFJFHSA-N 439.585 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(OC)nc3ccccc23)CC1 1539483265 UWKLWDZEKSZBBP-UHFFFAOYSA-N 432.528 2.411 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC(=O)N1CCOCC1 1540191128 DIUFNLPWBJITSE-UHFFFAOYSA-N 425.489 2.189 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540886218 YHQBYVXVHPZAHF-HKUYNNGSSA-N 427.530 2.033 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1541087176 QBLSDLWHTRXLLN-FQEVSTJZSA-N 437.548 2.084 30 10 IEEE Cn1cc(Br)c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1=O 1545718927 WQOKXOXDJUSIHK-UHFFFAOYSA-N 431.290 2.233 30 10 IEEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1=O 1547199255 VTXQRUFZIPKQGR-HSZRJFAPSA-N 438.532 2.071 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccnc(SCC)c2)CCOC1 1547917560 AKGNMTDVIZDEKS-LAUBAEHRSA-N 444.561 2.214 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NC(C)C 1548000691 FFGPYKOKMBOJDS-NRFANRHFSA-N 430.484 2.222 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]2C[C@H]21 1556132959 YMFCVAKRXHWNAH-NYXISSTPSA-N 434.537 2.411 30 10 IEEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1556441908 LUWPRUCFIZHAJI-XVYPEUIUSA-N 437.566 2.122 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Nc2ccccn2)CC1 1558404989 JAGQBEXRBIBJPH-UHFFFAOYSA-N 427.530 2.003 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC(C)(C)Cc2ccc(C#N)cc2)[C@H](C)O)cc1 1558454196 FXJFIJLYEMRECT-OXJNMPFZSA-N 429.542 2.032 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 1559534740 VKYMHZFPGJVYFX-OAQYLSRUSA-N 440.931 2.321 30 10 IEEE C#CCN1CCC(NC(=O)NCCC(=O)N(C)Cc2ccccc2Br)CC1 1564019193 QQAFWUPETBSUJO-UHFFFAOYSA-N 435.366 2.194 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1588064290 FQJYQDPLRNHWNK-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(N(C)C)Cc2ccccc2C1 1588214543 WQGDZRUPXDGPGR-UHFFFAOYSA-N 425.540 2.297 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@@]1(C)CN(C)C1=O 1588254082 PRCKCYRXKFGCQX-XMMPIXPASA-N 435.528 2.197 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1588384937 DJZNQJFTIGFXGL-SFHVURJKSA-N 430.530 2.217 30 10 IEEE C=C(C)COCCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1593768736 ILZVJCPRLQQGBJ-NRFANRHFSA-N 448.656 2.400 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)Cc2ccccc2)CC1 1594015120 YLKZHYCJTBYNEE-SFHVURJKSA-N 432.594 2.177 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1594807037 BYILPPDHCPWXPF-WMZHIEFXSA-N 425.533 2.228 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1594829401 JGLKKIRIBQXHKR-UYAOXDASSA-N 449.596 2.084 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)nc1 1595156433 LNBRFJRMDUPOPI-UHFFFAOYSA-N 434.529 2.475 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)[C@@H]1C 1595550308 CGDOHJKMKWQNEO-DAYGRLMNSA-N 429.546 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595744605 NSQZTIWIFLJBBU-UYAOXDASSA-N 446.573 2.382 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595797402 FVKDWDBLZAXXET-NRFANRHFSA-N 448.593 2.022 30 10 IEEE Cc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612568886 RGQFTQGRIRLNQX-QURGRASLSA-N 435.532 2.218 30 10 IEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC 1613619079 DXKJMGIOVDBPEE-NQIIRXRSSA-N 429.546 2.257 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1614348837 CPCCBBVTAYLWCA-FFZOFVMBSA-N 449.559 2.084 30 10 IEEE CC[C@@H](C)[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)NCCN1CCOCC1 1614982521 LUZWSAOMEYZAJA-KNQAVFIVSA-N 440.588 2.349 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1617535372 LJPLYTCPIAFFJO-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1620347108 NYQYVHCPXBKUAV-GHTZIAJQSA-N 447.536 2.229 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)Nc2ccc(F)cc2OCC#N)C1=O 1622869653 VAWFRAHFTNESAV-HNNXBMFYSA-N 434.468 2.430 30 10 IEEE CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1627160607 OYXGZXOENWWYPZ-CZUORRHYSA-N 428.352 2.087 30 10 IEEE C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Cl 1630625260 GKEFRBXBJCPEDY-LBPRGKRZSA-N 429.864 2.127 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)CC1 1632960605 KMSHXRFGKZYGNT-UHFFFAOYSA-N 430.357 2.027 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)C1 1634554621 FEIBNJYIYHHOAC-MOPGFXCFSA-N 447.377 2.337 30 10 IEEE C#Cc1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1 1635840862 LVIRVEGJCBWBLS-HXUWFJFHSA-N 428.510 2.014 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 1640916205 MWZRMAFKDTXDLV-JKSUJKDBSA-N 428.470 2.325 30 10 IEEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1cccc(C#N)c1Br)C1CCCC1 1642453912 BJJNIRJIZAYLKN-OAHLLOKOSA-N 443.367 2.005 30 10 IEEE C[C@H](CC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1643497777 WGLAILKEHAVVBD-OAHLLOKOSA-N 449.573 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1(O)CCC2(CC1)OCCO2 1645911883 AKIFXACEVQQNOK-INIZCTEOSA-N 425.526 2.128 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1 1648260765 GOXKUGDEMMQJGT-UGKGYDQZSA-N 426.494 2.272 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 1651550401 FGXOBLLHAVFFKE-WFASDCNBSA-N 433.452 2.122 30 10 IEEE O=C(NCC(F)(C(F)(F)F)C(F)(F)F)C1CCN(c2ccc3nncn3n2)CC1 1654740633 MOCJHXXWEZQCSQ-UHFFFAOYSA-N 428.312 2.290 30 10 IEEE C#Cc1ccc(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c(Cl)c1 1675169611 ULDOBFUNHUEALH-UHFFFAOYSA-N 447.900 2.287 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1679562394 ZKLVYSWTLBACMT-LJQANCHMSA-N 431.562 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 1682588324 PEUMPVDTDYZIIZ-IUCAKERBSA-N 441.344 2.489 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)C2 1684863128 IBTMHVMFKGIVTQ-IBGZPJMESA-N 444.944 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1689862722 FQMZTOSHOQMSKS-ZDUSSCGKSA-N 430.310 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1689863059 MAUXZOFFPGBBJX-KRWDZBQOSA-N 439.483 2.211 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CC=CCO2)c1 1689870658 VZKLITNSJJBUDC-IBGZPJMESA-N 429.484 2.136 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1690060768 HXOYFTVIVPLVNS-QHCPKHFHSA-N 435.532 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(OC)CCOC1 1690095439 QDLDUIKMJCEKIV-QHCPKHFHSA-N 436.516 2.227 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCc2cccs2)CC1 1690170022 WSPQOUZJNXYUTM-UHFFFAOYSA-N 441.630 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1690243510 LMQFLELENOMDKC-HKUYNNGSSA-N 430.553 2.495 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690254267 ZCKFINWGWSTLFI-PIPMEXSNSA-N 430.553 2.281 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCC)cc1 1690680001 GDNFZRUFZRDHKD-LJQANCHMSA-N 449.577 2.070 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1690750376 HXQVFMPXFUWVFX-UHFFFAOYSA-N 441.561 2.109 30 10 IEEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)C1 1692417965 ANMYGDIBCYLWIQ-CTNGQTDRSA-N 435.576 2.496 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)CCCN2C 1692520811 DCOFZSNDWRTVGD-QFIPXVFZSA-N 425.512 2.289 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)CN(C)C)CC2)c1C#N 1693405544 AXBCMRROQVULRP-UHFFFAOYSA-N 441.628 2.404 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CSCCS1 1698245166 ARFKRLNGHUDVJA-YRBFXIGRSA-N 427.571 2.293 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705564664 DNBLJUDEWMDTRS-GOSISDBHSA-N 429.546 2.014 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1705586553 NQIPNFNWLAKEJF-UHFFFAOYSA-N 443.599 2.449 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=C)Cl)CC1 1705635472 ZMPMTGZCLDRLCB-UHFFFAOYSA-N 447.996 2.054 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)cc(OC)c2)CC1 1705781237 UBQRTPJLHRVIDG-AWEZNQCLSA-N 437.541 2.487 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705825068 IIIHSEKRJUNTKV-INIZCTEOSA-N 434.566 2.352 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCO[C@@H](C)C2)C1 1705924492 DFWKITGBBUZOHT-PCCBWWKXSA-N 433.597 2.454 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](CC)C1 1705938412 XQJORORFLIODCS-GOSISDBHSA-N 434.562 2.382 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H]1CC 1705939167 SSADDABRTIOROM-XDNAFOTISA-N 426.583 2.228 30 10 IEEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1707930952 IBKUFMSVZVKEEF-GOSISDBHSA-N 440.529 2.288 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1711287317 DTJRIFYEWJVMQA-OAHLLOKOSA-N 434.447 2.047 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCS(=O)(=O)C1 1711967387 GFYDANASRZKUSI-IAGOWNOFSA-N 431.562 2.298 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1722332010 BXCHCAOWDQDILQ-GCJKJVERSA-N 428.558 2.346 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1722370974 GLPHKBFGPMAWFB-IBGZPJMESA-N 443.573 2.089 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccccc1Cl 1722419168 QFRNIOUBPZFPCW-JOCHJYFZSA-N 445.951 2.161 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1722436298 CASAYOGMYXOWOY-GMAHTHKFSA-N 436.604 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)N2CCCCCC2)CC1 1722447698 MLNATOZPFZFJCE-UHFFFAOYSA-N 440.592 2.304 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1722467216 OGIRYLPDUCIMTO-DYESRHJHSA-N 431.562 2.268 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1722500524 CEMFTCCOKURWIO-GCJKJVERSA-N 425.533 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1722511471 ZRNAIRVARNDRDV-ALKREAHSSA-N 430.578 2.282 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1722532382 KMPITMCJHRWHRD-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1722536152 KMUUGLNUZOXNNE-LJQANCHMSA-N 431.512 2.110 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 1722539510 RULGJOBSZROUIX-MBSDFSHPSA-N 425.533 2.432 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCc3ccccc32)CC1 1722573834 AUXNYLDMPZDTPK-ZHRRBRCNSA-N 445.589 2.125 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1722638429 ADCDBUZPPNPVOW-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)C1 1722692289 YTJVSSTXIOCXBZ-CQSZACIVSA-N 448.980 2.105 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1722720422 LCGNLMLIQOTACZ-YKSBVNFPSA-N 439.560 2.332 30 10 IEEE CC(C)COc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1723487850 HYPMGDHLXSSQIG-IBGZPJMESA-N 438.532 2.326 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC[C@@H]2COCCO2)CCO1 1731188023 BCQFSZIELJMTMJ-CABCVRRESA-N 448.321 2.242 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1740581261 UAYQXIODNRPZTD-INIZCTEOSA-N 431.562 2.391 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1740725319 KABDYRGMYXFDSQ-PKTZIBPZSA-N 438.532 2.324 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740757648 QOQSHZQYZJFGOD-BJLQDIEVSA-N 425.537 2.069 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1740788267 QSPPGLRVAWKZIH-CYBMUJFWSA-N 437.488 2.180 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@]2(CCOC2)C1 1740884177 RWPGJWVOUXVRJI-NRFANRHFSA-N 429.477 2.442 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1740927241 BJAWQEWFZBPQDA-SFHVURJKSA-N 432.546 2.333 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740994360 QGMMVYHNVSTILI-WAOWUJCRSA-N 438.594 2.298 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1742298468 DCPOPBUNWHLOBX-INIZCTEOSA-N 447.586 2.185 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1743951342 GUMNPQMETZTCOG-RBUKOAKNSA-N 443.573 2.374 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1745850451 BADYPAHVFVJPLI-UHFFFAOYSA-N 434.566 2.387 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1747883007 RZAQPPVFNDTYBK-AQTLKONXSA-N 442.442 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCNC(=O)Cc1cccc(F)c1 1748882745 DXINGLILTVGLTE-UHFFFAOYSA-N 432.503 2.245 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1749159759 XYIGXWUOSMBSGR-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749204875 VNUNGTUHENVEHX-UHFFFAOYSA-N 442.539 2.317 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCn1cccn1 1749652066 GYDVJKDYRNFFGP-UHFFFAOYSA-N 430.516 2.437 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1750561115 KYRBYQWHWKDMGQ-ROUUACIJSA-N 438.488 2.093 30 10 IEEE CC(C)CN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750839423 JWYMQKNRZZAFOX-LSDHQDQOSA-N 441.580 2.240 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncnn2C(C)(C)C)CCOC1 1751019039 SEXKOXQLBNMDRD-SFTDATJTSA-N 446.531 2.155 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1760147975 JTDPZNPTHJFSLN-UHFFFAOYSA-N 443.504 2.273 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760186280 LRTZHJIUUVRDFY-AWEZNQCLSA-N 436.500 2.420 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)CC=C 1760198306 DQDDZZRLJXJVCF-UHFFFAOYSA-N 432.933 2.281 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1760205915 MXQHIGRHESMKKU-PCCBWWKXSA-N 445.633 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)COC 1760213226 VEXRPBHUTFDVFV-UHFFFAOYSA-N 428.558 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1760324332 JTDIRUOGWOTNKS-LZJOCLMNSA-N 441.532 2.159 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1760521034 HXJSGUCSYVYWED-UHFFFAOYSA-N 428.924 2.074 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760523966 MCNWGERPWFYHKA-UHFFFAOYSA-N 443.640 2.233 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C[C@H]1CCOC1)C1CC1 1760565979 IUHHTAHIJYDMIG-CVEARBPZSA-N 426.608 2.105 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1760677125 JDDHIWBFMXOLQP-UHFFFAOYSA-N 435.454 2.027 30 10 IEEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1 1761390815 DSMOATPPHFKERK-WMZOPIPTSA-N 433.472 2.122 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNc1ccccn1 1763112325 JQBFLBXHKWILMP-KRWDZBQOSA-N 432.536 2.114 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1766697425 FLOPRYLHOKNHKU-UHFFFAOYSA-N 428.562 2.424 30 10 IEEE CN(C[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1767228169 YAPVNRXSEHOSLW-INIZCTEOSA-N 448.593 2.487 30 10 IEEE CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCOC1 1768537244 XXQCSUZXUGKLEP-OAHLLOKOSA-N 427.486 2.087 30 10 IEEE CN(CCCNC(=O)OC(C)(C)C)CCCn1c(C2CC2)nnc1N1CCO[C@H](C#N)C1 1768898725 WXQZMHJQVWSUOG-GOSISDBHSA-N 447.584 2.121 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)CC(F)(F)F 1768911871 QIZRMPNDZOWSKF-HXUWFJFHSA-N 447.465 2.170 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1769531063 YTBCGXBZLOSZIA-SJORKVTESA-N 427.461 2.268 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1769706763 CRQNIIYQYAWBIW-HSZRJFAPSA-N 438.532 2.071 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1769785800 KRCBKUXNVZBBSG-UHFFFAOYSA-N 433.516 2.058 30 10 IEEE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1770826072 CLKQQQGHAYGGTF-OAQYLSRUSA-N 430.553 2.087 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)CC12CCOCC2 1772792442 BOZRGZFFZSKUMX-QFIPXVFZSA-N 430.457 2.452 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3nc(C)cc(C)c3C#N)CC2)cc1F 1852034820 FLIYDALHHRPVLP-UHFFFAOYSA-N 449.490 2.257 30 10 IEEE C=CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 1852655083 UOACZXIRSJCEDK-NRFANRHFSA-N 431.533 2.046 30 10 IEEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)CC1=CCOCC1 1852713896 VYHOLKFKBINNLA-UHFFFAOYSA-N 429.484 2.222 30 10 IEEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)Cn3nc(-c4cccs4)ccc3=O)C2)CC1 1855127154 PLVHRTWLIMNALE-QGZVFWFLSA-N 426.542 2.245 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(Cl)cc1 1855895556 JYJGWRLUVRSJRC-CQSZACIVSA-N 431.901 2.202 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862181372 MYJBIJKAWJZJTP-UYAOXDASSA-N 441.528 2.312 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1862569582 QAYOQTYTFLRZQE-JEOXALJRSA-N 429.425 2.074 30 10 IEEE CCc1nc(Nc2ccccc2C#N)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868286184 AYKVKHJWVXOHRV-UHFFFAOYSA-N 449.559 2.025 30 10 IEEE CCCCN(CCO)c1nc(=Nc2cccc(C#N)c2)nc(N(CCO)CCCC)[nH]1 1871731566 VFEQXPVXSCVXEB-UHFFFAOYSA-N 427.553 2.106 30 10 IEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c(OC)c1 1874435235 UKXWJQJPIQLFFV-LSFURLLWSA-N 449.533 2.105 30 10 IEEE COC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874462315 RPQAMZRYYMMZNA-KPSZGOFPSA-N 447.351 2.124 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)C1 1891694742 SSZFIAFUCFRCQT-BBRMVZONSA-N 431.341 2.397 30 10 IEEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c21 1964762973 AJAFMPSSZRUVOM-SFHVURJKSA-N 436.516 2.488 30 10 IEEE N#C[C@H]1CCCN(S(=O)(=O)N2CC=CCC23CN(C(=O)OCc2ccccc2)C3)C1 2207809502 WGUDMYLDFHWLNX-LJQANCHMSA-N 430.530 2.120 30 10 IEEE Cc1cnc(N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224103336 UKYDSRJHMVDEPK-QFIPXVFZSA-N 433.358 2.473 30 10 IEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224127040 FKACCRLVHJZXDD-DZGCQCFKSA-N 436.314 2.214 30 10 IEEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243393781 YEXJAUQIKHIEGN-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2255625655 VCGLAFRQRIYKGN-ASSNKEHSSA-N 449.382 2.490 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255681125 PMLVPPDMJALJRY-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830551 HXZLPOYFRHFCEC-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC(C)(C)C 2255933750 RRSLJZOQKGAHLB-UHFFFAOYSA-N 448.398 2.351 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2256668595 CHWYBMXMCDBIBS-UHFFFAOYSA-N 432.326 2.343 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256681513 MFVRBFUHUWZFIQ-SJORKVTESA-N 435.374 2.374 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256892106 OFXMLFNPEITTGJ-HNNXBMFYSA-N 437.321 2.250 30 10 IEEE COc1ccc(CNC(=O)CN(O)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264094318 QVBWWLMRAHEFAG-UHFFFAOYSA-N 436.314 2.237 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094757 APDGVRSGGMMAAK-GOEBONIOSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267137859 UAPYWGPWVIJSRQ-PEBXRYMYSA-N 446.357 2.086 30 10 IEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142689 XMMWSAMGALIPKS-RBSFLKMASA-N 446.357 2.036 30 10 IEEE CC[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267180399 DHQXLUZQILHHFV-LJQANCHMSA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)n1 2267499309 RHVCTWJREYZRKP-LJQANCHMSA-N 438.381 2.361 30 10 IEEE Cn1cc(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267502004 HEJJYECTKCSZBB-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504734 WQMJSKNJYVEYRI-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2267525880 KHNNMSBIVDCPHC-CABCVRRESA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3ccc(N)c(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267841554 QCYOSEZCQITKCO-OALUTQOASA-N 445.369 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267871614 CGGMFYUKBNHOPK-CQSZACIVSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268630678 NOZCMTIIYQBIRF-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282840977 LAHVVOGQDGXGJK-KOLCDFICSA-N 441.833 2.091 30 10 IEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)S(=O)(=O)C1CC2(C1)OCCO2 2295335595 MFCPUWBKQFRJAR-CYBMUJFWSA-N 443.396 2.275 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1C 2297741634 NGSUQVYOVGDNHG-OAQYLSRUSA-N 437.496 2.153 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2315400382 VRTKGYCJSIRPMC-SJORKVTESA-N 433.358 2.154 30 10 IEEE CC(C)(C#C[C@@H](NN)c1cc(Cl)ccc1I)S(C)(=O)=O 2365178542 KGLVIMBADVPPEB-GFCCVEGCSA-N 426.707 2.276 30 10 IEEE C#CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 9150943 HSNZQUNCERXHMX-MRCUWXFGSA-N 430.507 2.498 30 10 IEEE N#Cc1ccc(NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2Cl)cc1 12031961 UCRRCCZWSVEMHS-HNNXBMFYSA-N 438.914 2.425 30 10 IEEE C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1C 15445414 BWFCIFJUJDRJJN-MLYOOKFZSA-N 432.590 2.194 30 10 IEEE NC(=O)CSc1nnc(N/N=C/c2ccccc2OCc2ccccc2Cl)n1N 21325491 JEPNBDVGGLQWOG-LSFURLLWSA-N 431.909 2.248 30 10 IEEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1ccc(OC)cc1 23998342 GROBYFYPUFHNIO-CQSZACIVSA-N 429.546 2.357 30 10 IEEE COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCN(CCC#N)CC2)cc1 32961958 KLQHVEQIPOVINE-UHFFFAOYSA-N 444.513 2.230 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)c1 58997864 OZGWPKYQOJITBP-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE Cc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59888085 TVWZULYRKLIMSL-CIAFOILYSA-N 442.549 2.486 30 10 IEEE N/C(=N/O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br 61888096 HIERAHBOEKIDRQ-WPRPVWTQSA-N 441.145 2.405 30 10 IEEE COc1cc(OC)c([C@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1OC 72445510 FMRGUWRFSQBZGW-SUMWQHHRSA-N 439.472 2.010 30 10 IEEE C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)n1cnc(C#N)n1 409632564 TUSPEJLAOBZDLB-LBPRGKRZSA-N 431.294 2.351 30 10 IEEE CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 435173537 MSKUUVFOZGAKAT-INIZCTEOSA-N 430.496 2.368 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 444065621 QTEDKZNTILYZER-UHFFFAOYSA-N 439.515 2.222 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)cc1F 447270499 HYWKTMSNWWDXFU-UHFFFAOYSA-N 438.480 2.379 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 460951940 MYNNYGCTNUXGAC-UHFFFAOYSA-N 434.522 2.290 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCOCC(F)(F)C(F)(F)F)CC1 469057199 SYLYLYDJIASMFR-UHFFFAOYSA-N 427.395 2.079 30 10 IEEE CCOc1ccccc1[C@](N)(C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(F)(F)F 471248546 BPDBHMBAUGROCL-FQEVSTJZSA-N 433.434 2.417 30 10 IEEE COc1ccc(C[C@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 472084380 IIKLVCKITKAOFS-HNNXBMFYSA-N 426.521 2.080 30 10 IEEE CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 478876348 ZHJMXOOKUBJVRK-IBGZPJMESA-N 439.581 2.069 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(N)=O)ccc3-n3cc(C)cn3)cc2C1=O 497586261 VALOZRDLUNSGEO-UHFFFAOYSA-N 429.436 2.314 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)(C#N)CC3)CC2)cc1OC 507828845 KCAUJZSEFQOWHE-UHFFFAOYSA-N 435.546 2.257 30 10 IEEE CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2F)s1 510703851 SNGUFSJTWDSEGL-QWRGUYRKSA-N 425.511 2.194 30 10 IEEE COC(=O)CN(CC#N)C(=O)c1cc(Br)cc(I)c1 513375477 JCCAPXUYTSBNFK-UHFFFAOYSA-N 437.031 2.192 30 10 IEEE Cc1nc([C@H]2CCCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 513943268 ZMQADTIRAQGMMW-LJQANCHMSA-N 442.545 2.139 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)n(Cc2ccc(F)cc2)c1C 532586626 YYUNBIWTBXXIBJ-SFHVURJKSA-N 446.548 2.469 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(OC3CCC3)c2)CC1 536385769 GZCSDNPTMNOFCN-UHFFFAOYSA-N 426.498 2.031 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543890314 GMSJUCUJBRIZMP-SFHVURJKSA-N 443.939 2.462 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 555287831 QPPNZKZXEMTGTG-QGZVFWFLSA-N 441.536 2.466 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 580979841 NZHNHXQVXAHEEM-UHFFFAOYSA-N 447.561 2.153 30 10 IEEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 606027522 IEXSKRAJFQQRTL-UHFFFAOYSA-N 430.508 2.281 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@@]2(CCOC2)O1 619524335 UKUUZEOTOVEKKS-HSZRJFAPSA-N 436.468 2.481 30 10 IEEE N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CCN1C1CC1 732696562 JBQXBJPXPWHIDZ-GOSISDBHSA-N 444.561 2.141 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC)C2CN(C(=O)OC(C)(C)C)C2)ccc1F 747964612 UURJZKAFDKNEFC-UHFFFAOYSA-N 441.525 2.371 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccnc(N3CC[C@H](C)C3)c2)c1 752298942 RTXMLQFIDKOQQC-IBGZPJMESA-N 432.524 2.415 30 10 IEEE O=S1(=O)N/C(=N/CCCc2nc(Cc3ccc4c(c3)OCO4)no2)c2ccccc21 761527185 NWCWJIJSGKSPBI-UHFFFAOYSA-N 426.454 2.060 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CCC#N)CC(F)(F)F)C1=O 771392939 OWKOHCVYDFUXAK-SFHVURJKSA-N 426.395 2.075 30 10 IEEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C)cc(Br)c2)c1=O 772274195 CCKREBJPVBULIG-UHFFFAOYSA-N 448.386 2.276 30 10 IEEE C#CCN(C(=O)N[C@H](C)Cc1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 774261013 DXNXATNFRKNFQH-IUODEOHRSA-N 431.327 2.351 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 778375161 NFXGSBRIGZMQCD-ZDUSSCGKSA-N 429.539 2.063 30 10 IEEE CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780994416 DULFGIPOVKHUKN-JOCHJYFZSA-N 441.553 2.470 30 10 IEEE Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1c(Br)cnn1C 782178026 ZLJQOURCTCRCFU-UHFFFAOYSA-N 425.268 2.401 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(OC)n3)c2=O)cc1 790426080 XPCKTWDEIGGORA-UHFFFAOYSA-N 447.516 2.183 30 10 IEEE N#Cc1cc(C(=O)NS(=O)(=O)c2cc(I)ccc2Cl)ccn1 796910206 LKTHLHVQOMFVMM-UHFFFAOYSA-N 447.641 2.330 30 10 IEEE CC(=NOCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)C2CC2)cc1 912949959 OXOZOZOEBGUMFL-HXUWFJFHSA-N 449.573 2.447 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 914679108 XEKJINLIALHFDH-VQIMIIECSA-N 448.541 2.217 30 10 IEEE CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 916942841 OAIUEUBYZYEKND-GOSISDBHSA-N 432.436 2.000 30 10 IEEE Cn1cc(CNC(=O)c2cc(=O)n(C)cc2Br)c(-c2ccc(C#N)cc2)n1 1127994222 HJDNISOXELALML-UHFFFAOYSA-N 426.274 2.350 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2=O)cc1Cl 1131524015 RLYPGEHBDCIFBY-BEFAXECRSA-N 443.912 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 1139617285 NQEMCRYUUAOKEC-AWEZNQCLSA-N 434.459 2.491 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)n1 1143259348 ISTDAMJLWSCMIC-ZJUUUORDSA-N 446.480 2.053 30 10 IEEE CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1143720667 WQSMYHRWNJNPBZ-HXUWFJFHSA-N 426.542 2.136 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)ccc1F 1158017360 HUBPGCAILJYZHA-JKSUJKDBSA-N 439.509 2.124 30 10 IEEE CCS(=O)(=O)NCc1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1163652415 QZSDBDJRWSGFHH-OAQYLSRUSA-N 426.542 2.348 30 10 IEEE COc1ccc(NC(=O)COc2c(C#N)cccc2C(C)=O)cc1S(=O)(=O)N(C)C 1189988306 YNWBRTANXDGMNQ-UHFFFAOYSA-N 431.470 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1193799957 DKFYGUAEWLTOEF-UHFFFAOYSA-N 438.525 2.016 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(C#N)cn1CC 1219174228 IEVSAMGSEGOTLW-UHFFFAOYSA-N 449.462 2.498 30 10 IEEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[C@H]1CCCOC1 1255499144 RNTPGBYTIMNXCF-LAUBAEHRSA-N 440.548 2.308 30 10 IEEE C[C@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 1255957516 MUWJYIXTNLNBAD-HNNXBMFYSA-N 427.530 2.235 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 1261205066 NZZKFLWGXBGAMV-ZEVCKCCMSA-N 432.520 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CCOCC2)CC1 1286475831 HVKVAXFPDSNISR-UHFFFAOYSA-N 448.571 2.405 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC(C)C)cc2)CC1 1286479658 NUWCNOLNQAXEBW-NRFANRHFSA-N 436.560 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1286493999 KKPQRBQKJHMYHO-UHFFFAOYSA-N 434.525 2.409 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286711515 PCPMLYRBPGPQBF-UHFFFAOYSA-N 435.532 2.234 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1)C1CC1 1286733833 JUIUWZRGQAGTDE-UHFFFAOYSA-N 449.353 2.060 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)CN2CCOCC2)C1 1286812854 UMOMOUMUHXIJIG-FXAWDEMLSA-N 446.621 2.383 30 10 IEEE CC(C)SCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1288414925 BCTKNXKIZRFMAB-UHFFFAOYSA-N 441.561 2.191 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1292688489 OTTZSRFBVDXVEP-UHFFFAOYSA-N 441.538 2.086 30 10 IEEE COc1cc(N)c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1S(C)(=O)=O 1297409109 FKSPNMANJSRDPP-UHFFFAOYSA-N 429.498 2.236 30 10 IEEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1299780440 UDJRCMAKZNDBLA-GOSISDBHSA-N 446.502 2.398 30 10 IEEE COc1ccc(-c2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 1299994386 BKUCSRXOPCQJHF-VZCXRCSSSA-N 438.488 2.087 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNc2ccccn2)cc1 1300297693 YBPAWMITXPFUTN-HXUWFJFHSA-N 449.515 2.492 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1300690510 MSPOAKJNUTYVKH-UHFFFAOYSA-N 439.541 2.054 30 10 IEEE CC(C)(NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 1300708076 JCLDRBZKWHVHAU-UHFFFAOYSA-N 429.498 2.049 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300877664 XMJQGLKDDPBGMX-WDYCEAGBSA-N 449.577 2.298 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1)OC 1301030631 NBDZHUOYIBXIAO-BVOGOJNSSA-N 441.532 2.251 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301258783 AEQRYXYGBQLAFL-SFHVURJKSA-N 438.532 2.378 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1301365500 RFMVZPFDYALJHV-OAQYLSRUSA-N 431.562 2.460 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301509668 KTTXHJMQRBLSEF-IBGZPJMESA-N 449.559 2.270 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1302027960 KDZPBHZZJRMNMU-QVKFZJNVSA-N 430.484 2.451 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1302502124 COIBSPPQTOZBFH-QHCPKHFHSA-N 440.548 2.228 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSCCCO)C1 1302978000 FMJSDMCELPIYNK-HXUWFJFHSA-N 443.508 2.151 30 10 IEEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1316364552 BSKDDLCBDVVVJS-ADSBAMQRSA-N 428.493 2.082 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@H](O)C2)CCO1 1316535166 FCMQOFRJKQGCOV-AEGPPILISA-N 435.326 2.316 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)c1 1356233655 IAGMTLQMGGKOEJ-FQEVSTJZSA-N 437.521 2.337 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(F)(F)CO2)CC1 1359033016 MFUBGXWIYJZXMH-KRWDZBQOSA-N 447.486 2.142 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(C)(C)O)CC1 1359033177 SGHJYJCYEKPEMY-UHFFFAOYSA-N 448.365 2.242 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCCCC2)CC1 1359038463 XHYADEABGHSXMD-UHFFFAOYSA-N 438.624 2.159 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2ncc(CC)s2)CC1 1359046928 LBUCIDSCPMSXTN-UHFFFAOYSA-N 426.590 2.458 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1359216735 CJLJOZYRCBRGAG-SJORKVTESA-N 448.568 2.220 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1359299925 PVLQUZYIICCHAT-HXUWFJFHSA-N 435.532 2.020 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCN(C(C)C)CC2)C1 1359318221 ZBSYUQKUMLUXJX-LJQANCHMSA-N 426.565 2.357 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(C)C)C(=O)N3CCOCC3)n[nH]2)c1C 1452224685 IMLXLPJUMJXSNK-IBGZPJMESA-N 428.537 2.079 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C)c1cc[nH]n1 1466294815 VLXRSOGKPGGWOZ-LJQANCHMSA-N 438.488 2.065 30 10 IEEE CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1467838136 ZLFGHTOXTAQLCD-DEOSSOPVSA-N 434.496 2.450 30 10 IEEE CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N2CCN(CCC#N)CC2)CC1 1468889605 FGHGMDOREFRSOX-UHFFFAOYSA-N 438.498 2.198 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1470489708 QMLRIBFVKVEVMG-IBGZPJMESA-N 432.546 2.495 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3[C@H](C)O[C@H](C)[C@@H]3C)nnc12 1472609372 IMWDTGVJEOGPIH-AHXJXLJNSA-N 427.530 2.250 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 1475716923 JJYIEVUPPKJMBD-UHFFFAOYSA-N 445.770 2.468 30 10 IEEE CC/C=C/Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1499864410 WFYVDADVKCHLJA-NFOSPISASA-N 437.548 2.490 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)CCC(F)(F)F 1502188880 HUZGDAZHKBRCLL-QGZVFWFLSA-N 449.481 2.403 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(SC)CCOCC1 1503069040 NGFOUZYPIFUZQT-UHFFFAOYSA-N 444.561 2.262 30 10 IEEE COCC1(C)CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1504618102 HLMLBFSSKBUGEG-VXPUYCOJSA-N 430.553 2.256 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1504829729 OGEILIBGUVBGNL-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1505136510 BHZNZFZBUUKQOF-IEBWSBKVSA-N 446.552 2.427 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2COCCO2)C1 1505311642 CWTJQFSAKYOGNT-SUMWQHHRSA-N 439.289 2.283 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507591190 LJQZNAMLFJGXEO-HSZRJFAPSA-N 438.507 2.236 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1507726169 GNXQPCCVNDMSCF-UHFFFAOYSA-N 431.475 2.066 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507964532 BWVODOYYHLQGQM-OALUTQOASA-N 439.472 2.436 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507967500 KOLRDMLCBGQADY-NJDAHSKKSA-N 433.597 2.312 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1 1507971498 NAWUENIVVVQQEF-QGZVFWFLSA-N 446.983 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C#N)CC1 1508142940 HMWLISRCLBPQNN-UHFFFAOYSA-N 443.573 2.413 30 10 IEEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1=O 1514953567 PRXXVPJSONBUOZ-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCC(C)C)CCO1 1517539204 SXWWDJRFEQEZQN-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1520669131 VUEOOIDIPBBGKO-CABCVRRESA-N 436.475 2.343 30 10 IEEE O=C([C@H]1CCN(CC(F)(F)F)C1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1530004369 RMJINPGEUNCBFH-AEJSXWLSSA-N 443.310 2.471 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(C)CCC3(CC2)OCCO3)ccc1F 1537142175 BWKHCWOPFNBNDS-UHFFFAOYSA-N 426.510 2.343 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1539202038 FGOKJTCCPDCCFA-LJQANCHMSA-N 430.574 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539423331 XQTZVZJZCDSDCA-JPYJTQIMSA-N 444.507 2.420 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1539463104 SWJJWTMOZQUWMB-DENIHFKCSA-N 429.952 2.446 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1539496785 CUZRTBZXEJMOEJ-KRWDZBQOSA-N 441.557 2.140 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1 1539510707 NJRXTEJAIHBWDD-UHFFFAOYSA-N 443.554 2.201 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1539511415 WYZIUNOFNMFHHC-IBGZPJMESA-N 426.590 2.173 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1540043726 FHSZDGYSFWZZNK-IBGZPJMESA-N 425.581 2.249 30 10 IEEE C#CCN(CC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1)C(=O)OC(C)(C)C 1540675016 RWXJQJYOUCQAOX-UHFFFAOYSA-N 439.516 2.251 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1540872765 ZTEVYSGETMZSMV-HKARXFIJSA-N 443.523 2.083 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1540903324 CPFKULSJTKITIH-UHFFFAOYSA-N 444.561 2.338 30 10 IEEE CC(C)(C)n1ncc(C(=O)NCCNc2ncccc2C#N)c1I 1542362337 SXYIIFQKBJYXQV-UHFFFAOYSA-N 438.273 2.351 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2c[nH]nc2I)cc(OC)c1OC 1542479196 CNYNCCLYXPTJKX-JTQLQIEISA-N 442.213 2.035 30 10 IEEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1545000630 NOLHFWYRNKCHOJ-CVTQAYBASA-N 442.545 2.072 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCNC(C)=O 1545533935 VERGUXFQIRNLSL-HNNXBMFYSA-N 440.552 2.381 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1554242166 CFBFZLZWPZCUJS-DYESRHJHSA-N 429.546 2.069 30 10 IEEE COc1ccccc1OCc1nnc(N2C[C@H](OC)[C@H](OC)C2)n1Cc1ccc(C#N)o1 1555110425 MUPRJKPEEXPSCV-BGYRXZFFSA-N 439.472 2.229 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1555454548 BHZBALKHIXMPQO-PZJWPPBQSA-N 441.532 2.397 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1)C(=O)OC 1556375188 CLBNYZXQURQGID-XMTFNYHQSA-N 440.537 2.042 30 10 IEEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)C2 1558973362 OPXMBSQGOQXDPF-OBJOEFQTSA-N 437.294 2.036 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)c1 1561998859 VTTFGJGPISDDTN-NGEICVOHSA-N 438.571 2.098 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC1 1562809660 ISSHHZKHZZUQCA-UHFFFAOYSA-N 449.349 2.279 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1564531739 XLEPFDJJOAZGDE-YHUYYLMFSA-N 449.552 2.252 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1570417966 BARDWOSISKKGQF-IRXDYDNUSA-N 428.558 2.347 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1593844672 DZFIABMPWMBMPF-INIZCTEOSA-N 435.912 2.056 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1594962117 IOPQGBDWUIUZOH-CYBMUJFWSA-N 445.467 2.295 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1595523350 UVCSSFKFNIPAGV-HNNXBMFYSA-N 442.545 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1C(C)(C)C 1595830919 JGZOUZLRPQOKCD-UHFFFAOYSA-N 449.552 2.169 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCn2ncc(I)c2C1 1611669169 NDNMBEWJWHIHES-MRXNPFEDSA-N 444.273 2.092 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1SCC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 1613398390 FQRVADILDFTSOI-HNNXBMFYSA-N 448.593 2.103 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4cccc(Cl)c4)C[C@@H]3C)CC2)o1 1618083796 FMNKJGFITSRHIS-INIZCTEOSA-N 442.951 2.367 30 10 IEEE CNC(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1618817314 YIOYXYUWVXSGIU-ZMPRRUGASA-N 445.568 2.315 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1 1618829020 CKOGUMFTUBJCJA-KRWDZBQOSA-N 443.602 2.127 30 10 IEEE CON(C)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1620118600 JIAUKZFLURCRNV-ICFOKQHNSA-N 447.293 2.232 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCCCO4)n3CCOCCCO)CCO2)c1 1620350004 YTSZVPLXAZYKCD-NHCUHLMSSA-N 441.532 2.368 30 10 IEEE COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C[C@H]21 1628301936 RJARGOLFAGOZDR-MANSERQUSA-N 425.485 2.270 30 10 IEEE CCCCN(C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)[C@@H]1CCc2ncsc2C1 1628462102 HLNGRUYUOMSLSZ-CQSZACIVSA-N 433.534 2.336 30 10 IEEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1634984347 QKVRPXYSZBKZLO-FASAQXTFSA-N 427.482 2.140 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1 1640587784 AGGSPWVEDZCQJY-UHFFFAOYSA-N 447.538 2.146 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(C)Cc3c[nH]c(C)c(OC)c3=O)ccc2c1=O 1642655423 NQAPPGPJUATPRB-UHFFFAOYSA-N 426.498 2.149 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cccc(F)c4C#N)C3)[C@@H]2C1 1643335150 ISGVXWSGZJSZDK-VHSSKADRSA-N 444.463 2.352 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 1643335978 AWRIOTIKSPBMFK-MJXNMMHHSA-N 433.917 2.213 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 1643892193 DQVOGCJTUGQDIY-VQIMIIECSA-N 444.582 2.197 30 10 IEEE Cn1c(CCC(=O)N2CCC[C@@H](C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1645042487 CWCMGGYBWRXWPB-KRWDZBQOSA-N 443.573 2.443 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1645088560 XOSYPKVZCXKOAX-IAGOWNOFSA-N 445.520 2.203 30 10 IEEE CC1(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)CCN(c2ccc(Cl)cc2C#N)CC1 1648709375 PTCIYSLEMGEMHT-UYAOXDASSA-N 428.920 2.424 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1650972164 LIBFYVXZNCVSRT-NVXWUHKLSA-N 432.380 2.486 30 10 IEEE N#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C(F)(F)F 1652244266 LFINIPJKRTUNFV-NSHDSACASA-N 428.230 2.078 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ncc3Br)C2=O)cc1 1654534356 UGDGJMSHUBKHQB-HNNXBMFYSA-N 444.245 2.155 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)[C@@H](C)CCC)nnc12 1654703678 QWKFZAHXOOGYNW-GOEBONIOSA-N 429.546 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCO[C@@H](c4cccc(C#N)c4)C3)OC2=O)C1 1658096749 QWNRLVDVOMYKQA-RTBURBONSA-N 427.501 2.484 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1680909888 QMDIHDXNPONUIG-UHFFFAOYSA-N 425.551 2.324 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)CC2)c1 1683532754 GFEPOOUMONQWPJ-QFIPXVFZSA-N 425.577 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1689838199 UZIWAPCXUWZFCG-DOMZBBRYSA-N 445.321 2.154 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1689853792 YLHAAZZIYUSEJM-HIFRSBDPSA-N 447.565 2.253 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1689886730 FIBOJGGJRAZYDI-GOSISDBHSA-N 429.546 2.073 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1689966447 RWUXEKCHBOUVGU-QGZVFWFLSA-N 429.546 2.014 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1689999855 JWFVQCBCPFJRDY-UHFFFAOYSA-N 435.919 2.025 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@](C)=O)cc1 1690029999 MBHIXAWCNZMVSW-IHPVIADISA-N 440.569 2.002 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C1CC1 1690063433 CSRODLSXVLWGEH-LJQANCHMSA-N 431.562 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[C@H]2CCOC2)CC1 1690141713 AOCCKVIXFLOKND-SFHVURJKSA-N 437.544 2.346 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690169821 PJXFNKBAPBAJNO-UHFFFAOYSA-N 427.578 2.026 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1690184417 HYUMMQBTFQTFCU-JOCHJYFZSA-N 444.557 2.228 30 10 IEEE C=C(C)Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1690298452 YPSGSQSVDYTKLX-LJQANCHMSA-N 445.486 2.401 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690350804 WZQISUUTRRZBTA-UHFFFAOYSA-N 436.969 2.257 30 10 IEEE CN(C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1696613774 BORYATWKASNELM-JOCHJYFZSA-N 425.512 2.066 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697127759 FBWZKEYRNJWFCE-FXAWDEMLSA-N 432.532 2.221 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705522323 AKYCAUAZZZPWSB-QGZVFWFLSA-N 442.568 2.219 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705522432 FPRZNADZMWBRSG-BAGYTPMASA-N 442.608 2.312 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567165 VFKUTYINSOFRJE-CVEARBPZSA-N 433.603 2.432 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1705583031 PAKOIKIUKNAPEF-LJQANCHMSA-N 449.536 2.265 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705615455 VBJREYVLJUWFJX-UHFFFAOYSA-N 432.528 2.239 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1705635196 SXBUOLRGNPZUDE-IMSXRSKXSA-N 445.608 2.281 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)COC)CC1 1705643100 SDNIMWFTVKBZAJ-UHFFFAOYSA-N 427.549 2.294 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705931636 WIBZGPYBLOYQQW-YLJYHZDGSA-N 440.573 2.090 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705934111 BJPVHEGUXHYBNY-UHFFFAOYSA-N 449.621 2.375 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCSC2)cc(OC)c1OC 1711653596 FYAODZHFPZYSQP-GDBMZVCRSA-N 445.545 2.453 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1712006986 AEUIZVJILBRVJT-QFIPXVFZSA-N 444.511 2.470 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1712058582 GPAFFGLNCBORKT-OALUTQOASA-N 438.532 2.259 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1c(C)nc2ccccc21 1712565722 GTFUOFGOHVTIFT-FUHWJXTLSA-N 439.520 2.089 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCN(CC)CC1 1722341240 BFXPRBDOFGTTMG-UHFFFAOYSA-N 437.592 2.244 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362074 RPGJLFHUEVTXSL-ICSRJNTNSA-N 446.621 2.266 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H]2CCCCO2)CC1 1722447507 IXSNLZWHNYXDND-PMACEKPBSA-N 429.565 2.445 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)NCC)CCC1 1722638415 ZUGDSZJKQADYRJ-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1)C1CC1 1722645326 IUMSSZZGOSIUAH-UHFFFAOYSA-N 441.532 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722729548 OIVKEQKSUYVIKG-RBUKOAKNSA-N 431.562 2.013 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1723386613 CMRAVNMAPXRWEV-UHFFFAOYSA-N 425.599 2.281 30 10 IEEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1727705720 AUHMNASFGDVDOQ-BRSBDYLESA-N 438.598 2.033 30 10 IEEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740577419 CUKXIRXHVUGSPM-FQEVSTJZSA-N 425.533 2.229 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740637628 HDHMSVRWAYSIKI-IBGZPJMESA-N 425.533 2.422 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1740670896 WMIRUTBYNXLPOJ-QGZVFWFLSA-N 430.553 2.131 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C 1740685375 FGKUKVJGDXEKNY-FQEVSTJZSA-N 427.549 2.464 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740817984 ZVFGRCOUCKUIEB-OKYOBFRVSA-N 439.988 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1740977835 ZBYJZXSQODMDNP-MRXNPFEDSA-N 444.561 2.099 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)OC)CC1 1740994025 HANPLEJVRPHKGK-UHFFFAOYSA-N 446.573 2.054 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@@H]2CCOC2)n1 1742700234 RSUXCSMZSMQKGB-GHTZIAJQSA-N 431.516 2.025 30 10 IEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C)S(C)(=O)=O 1746311766 AEHPMVQYALJMHS-KRWDZBQOSA-N 446.577 2.389 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCc2ccccn2)C1 1748048215 BOUGFFIAHLVCPY-XMMPIXPASA-N 431.544 2.347 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1748808922 IZRUENOMKCFUBH-NRFANRHFSA-N 446.536 2.081 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748844109 OPFSXCVSYTYEIX-RTBURBONSA-N 434.548 2.093 30 10 IEEE COc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1748894003 BXOCLVGUUYEWST-RTWAWAEBSA-N 433.516 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)C(C)(C)C 1748896814 LEAGCYULAUTOOJ-UHFFFAOYSA-N 433.603 2.310 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749126504 CWALENQFZGZWEL-IEBWSBKVSA-N 437.610 2.387 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749366568 HDVZCJYTXVDVOS-HZPDHXFCSA-N 446.639 2.042 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1749456304 AVRKUTHISCQLIJ-IBGZPJMESA-N 430.553 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1749658957 ZQBFKSYALZWDAM-INIZCTEOSA-N 439.907 2.348 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749671873 MCEVSYGOJWLFCV-CVEARBPZSA-N 431.487 2.312 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(-n2cccn2)c1 1749831129 WLNSAJABCSSYHU-IBGZPJMESA-N 436.520 2.168 30 10 IEEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1750592509 FFXVIQNMMHISDM-XQBPLPMBSA-N 448.637 2.431 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1752747292 LXCDPONMBQZFPQ-CVEARBPZSA-N 434.566 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760126704 GWHIDFVBYYCADB-MDMHHNQBSA-N 433.597 2.348 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760182264 DLORAGHHLVKPPP-KRWDZBQOSA-N 432.546 2.290 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760185253 TZMVQZXDMAAVEO-IAGOWNOFSA-N 432.521 2.138 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCc2nccn2C1 1760698926 SNEYZDVFLQABBG-JKSUJKDBSA-N 438.561 2.325 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(F)ccc1F 1761492537 DIXMDEVBQWENNR-ORAYPTAESA-N 438.504 2.345 30 10 IEEE CC1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1761558355 MMTLXWOXOZLLNG-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCCN3CCCCC3)CC2)c1C#N 1762399755 AWJFGVPUXGNENE-UHFFFAOYSA-N 439.612 2.483 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C#N)o1 1767446102 GDAMCVXPXFIVLG-HNNXBMFYSA-N 442.277 2.288 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(F)(F)F 1768057406 YNGZEVMDYHHPHU-BBRMVZONSA-N 436.438 2.451 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1768982729 HHXSXRADNKYUFU-FQEVSTJZSA-N 445.570 2.267 30 10 IEEE CSCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771469235 QJYVKUMQAYEPLV-IBGZPJMESA-N 428.610 2.460 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1772863662 QGEWWLDIXJQAKZ-IBGZPJMESA-N 437.548 2.038 30 10 IEEE C=CCN(C(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1)[C@@H]1CCN(C)C1=O 1850381870 HKJDEGMOPOPAKY-HSZRJFAPSA-N 433.556 2.263 30 10 IEEE Cc1cccc(OCC(=O)N2CCC[C@H](NC(=O)Cc3cc4c(cc3C#N)OCO4)C2)c1 1852860111 ZXZQZWVDVIUTCU-IBGZPJMESA-N 435.480 2.324 30 10 IEEE N#Cc1ccnc(OCC2CCN([C@H]3CCCN(C(=O)[C@@H]4CCCS4)C3=O)CC2)c1 1854419521 HWKRKOUEWNLCLS-OALUTQOASA-N 428.558 2.457 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CC[C@H](Oc4ncccc4Cl)C3)C2=O)ccn1 1855102761 JRFFLJWZDKRNTI-FUHWJXTLSA-N 425.876 2.286 30 10 IEEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(=O)cc1C(=O)O 1857896973 XECFXFPKMNCRKW-GFCCVEGCSA-N 445.497 2.268 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2)C1 1858334158 CXMCIQHYPWFGDE-QGZVFWFLSA-N 439.946 2.094 30 10 IEEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 1870151128 MZAOPCGUILJRLV-INIZCTEOSA-N 444.451 2.446 30 10 IEEE C=CCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N(CCOC)CCOC)n1 1871470002 DKOOVFKWYOPZES-UHFFFAOYSA-N 437.342 2.497 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)CC1 1889545015 QCVCVIVUPFJZFM-UHFFFAOYSA-N 440.519 2.353 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCOC1 2010546397 ILLSTXMHSRGACL-WMZHIEFXSA-N 428.533 2.297 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060641460 JQHCMHHGIQEBTJ-ZFWWWQNUSA-N 432.330 2.265 30 10 IEEE C#C[C@]1(C)COCCN1C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2215641628 GIBQCAWVMLUURQ-FDDCHVKYSA-N 430.501 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831846 FOQKXBZHRKYESL-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247834149 ROLSHIOPDYMXIT-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE C[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247907016 UOKUJSSUEBCUTR-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE CCN(C(=O)OC(C)(C)C)C(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405380 SZNVLTUVAYXWBI-UHFFFAOYSA-N 440.375 2.233 30 10 IEEE Cn1cc(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255624702 HIRAFVXRTOSPMX-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2255631854 FRTFXTBEYAIZDD-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2255700502 DJSKPFAHGJNPAH-UHFFFAOYSA-N 429.326 2.216 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)CC2)C1 2255866039 NKUKBTZRQSRJKC-IRXDYDNUSA-N 435.374 2.232 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256617902 NCNCHWCQXFMHBT-YOEHRIQHSA-N 434.342 2.049 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267178824 HRTVIBMEYADFLH-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267187680 BKLBCHZEOUDTNX-PMACEKPBSA-N 438.333 2.304 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](F)C1 2267272244 YFECZOXOEDVQPZ-CVEARBPZSA-N 449.332 2.458 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 2267272962 GONYMEGOBAHUAC-IAGOWNOFSA-N 440.353 2.228 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267502209 KJZFZLHPKYRYJN-AWEZNQCLSA-N 448.373 2.047 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2272636785 OWYVUIQHALADTM-HJPURHCSSA-N 443.353 2.368 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2318657988 LABLUFVAKJLWFU-AWEZNQCLSA-N 442.268 2.088 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cc(C)ccc2O)cc1 2328369226 LEPTYTBBKMMZBU-UHFFFAOYSA-N 427.486 2.339 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccn1C 2328980211 FADOEANUVLQOTP-MRXNPFEDSA-N 445.593 2.184 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1 2334270311 YCQLWBPAPHHJEQ-BHYGNILZSA-N 443.353 2.427 30 10 IEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@H](CCO)COCc3ccccc3)c2)OC1(C)C 2343486288 LBBYWVQUBFGWEX-LJQANCHMSA-N 441.333 2.389 30 10 IEEE N#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(F)cc1F 111029522 IVDGLBNNFDXWEP-CQSZACIVSA-N 430.230 2.369 30 10 IEEE C#CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 251448221 BXOFFUWACRSFJG-PZJWPPBQSA-N 439.537 2.388 30 10 IEEE C=C1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O 299847757 DEFOZIFYUBUHHU-UPCFSRMUSA-N 432.488 2.387 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)n1 429044955 VJSKZOPMWAABOW-JOCHJYFZSA-N 434.544 2.076 30 10 IEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(CC)Cc1cn(C)nn1 460382634 CCSNPARYRZXZAT-UHFFFAOYSA-N 449.607 2.374 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)c1 466100985 HDJGISDPVKMKLM-UHFFFAOYSA-N 438.484 2.122 30 10 IEEE CCOC(=O)c1ccc(N2CCCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)nc1 466103526 DDVNUZYGEJICQQ-UHFFFAOYSA-N 437.500 2.431 30 10 IEEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 466556573 QKXVSFGWUNLZLB-FQEVSTJZSA-N 446.504 2.101 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)C2=O)cc1 479051596 ALFLLOCHHGZFNF-NHCUHLMSSA-N 449.486 2.293 30 10 IEEE N#Cc1ccc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 484763798 ZAPSWXZLCYNSNU-UHFFFAOYSA-N 437.568 2.049 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508490571 CHLPWEBJCHDTFC-INIZCTEOSA-N 428.968 2.497 30 10 IEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(Cc2nc(C)no2)CC1 508690074 UTUTUFZVURXIGU-UHFFFAOYSA-N 425.493 2.162 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C#N)c3ccc(F)cc3)CC2)cc1 514981351 RVFZZNDRXICFFB-FQEVSTJZSA-N 426.473 2.479 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 574978867 KOTCMWQZZTZFJS-AWEZNQCLSA-N 431.491 2.380 30 10 IEEE N#Cc1ccc(C(=O)N2CCC(N3C(=O)[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3=O)CC2)cc1 581814273 XHYOUYRWQVNKJO-ZRZAMGCNSA-N 442.519 2.280 30 10 IEEE C#CCn1nc(CNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c2ccccc2c1=O 585171065 YVVQANQOHHVNBV-ZHACJKMWSA-N 433.464 2.385 30 10 IEEE O=C(CN1C(=O)c2ccccc2C1=O)NC1CCC(OS(=O)(=O)c2ccccc2)CC1 586507835 FWQFCKXNIZOJLM-UHFFFAOYSA-N 442.493 2.116 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c(F)c1 586864190 NKRSVDDYXRNCIP-LJQANCHMSA-N 426.517 2.047 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c(=O)[nH]c21 727411852 WBNOUZZIFZHIBQ-XQRVVYSFSA-N 431.500 2.371 30 10 IEEE CCCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 729671210 RIBVTEGQEMQPTQ-UHFFFAOYSA-N 443.532 2.418 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)c1 731756732 XKGSVANZVZUZPH-UHFFFAOYSA-N 430.461 2.107 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCOC[C@@H]2CCOC2)C1=O 740617032 RDAHEBHCYYRMEG-MAUKXSAKSA-N 430.530 2.069 30 10 IEEE COc1cc(CN(C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(SC)cc1OC 741408550 GGFSZYYUIQERNT-HNENSFHCSA-N 434.518 2.094 30 10 IEEE COc1ccc(CNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1C#N 746768697 RMONVXPPICDAAJ-UHFFFAOYSA-N 446.504 2.358 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1C#N 747497464 CBTHOGJXBRTRSC-IAGOWNOFSA-N 436.512 2.431 30 10 IEEE Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCOC1 751653744 IHHRPPMJKVUNSM-WMLDXEAASA-N 438.981 2.437 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2c(F)cccc2F)C1 755642503 YFQSDLOEPLPWQQ-AWEZNQCLSA-N 448.495 2.179 30 10 IEEE C=C[C@@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757471229 PNPNHDJZUSXMQP-YCRPNKLZSA-N 438.480 2.422 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 763937858 MFYQTLRICUWIGJ-GPTVKUKTSA-N 447.561 2.022 30 10 IEEE Cc1ccc(N(C(=O)COC(=O)c2ccc(C#N)nc2)[C@@H]2C=CS(=O)(=O)C2)cc1C 770021835 ISTKQCNJFULLQL-LJQANCHMSA-N 425.466 2.071 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782417223 DVMFEDCMKYFPJV-ASSNKEHSSA-N 433.509 2.303 30 10 IEEE CCOC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2c(Br)cnn2C)NC(=S)N1 783804074 AGBAVKXHIMYJJT-CYBMUJFWSA-N 449.330 2.402 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c1 791079715 OLLRJAIYNNGSMQ-UHFFFAOYSA-N 433.480 2.229 30 10 IEEE CN(C)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(C(F)(F)F)c1 794580670 YXTJWTZUIPWGJG-MRXNPFEDSA-N 448.470 2.200 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)=NO1 798975589 QBKNIQJTVSWQTH-KRWDZBQOSA-N 443.504 2.127 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2CC(F)F)cc1 806219120 DNIMBDYOBPCQIS-KTNMXJNISA-N 430.477 2.387 30 10 IEEE CCN(CCC#N)S(=O)(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813744701 AGSDBQBXJSXIJG-PMACEKPBSA-N 434.562 2.494 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)ccc1F 1127042205 FOSQVSWTIMPPPT-MRXNPFEDSA-N 439.896 2.290 30 10 IEEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 1148406572 VDQKSPJZUHGJFN-UHFFFAOYSA-N 445.368 2.381 30 10 IEEE CC(C)(C(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H](O)c1cc(Cl)cc(Cl)c1 1167527839 SPLOYRMTKBTABW-CQSZACIVSA-N 425.272 2.003 30 10 IEEE C=CCC1(NCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCCCC1 1196953220 UVWCKIPNRXCARF-UHFFFAOYSA-N 435.590 2.192 30 10 IEEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286348104 VDDDELRTHGUTIF-UHFFFAOYSA-N 437.610 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)nc2)CC1 1286494397 NOOYRXMEQJSTPT-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC1CC1 1286553415 DPUWJUJGMPTDBP-OTWHNJEPSA-N 438.594 2.024 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(=O)N2CCOCC2)CC1 1286647785 BTMCXMXNMVHIJS-UHFFFAOYSA-N 439.560 2.477 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286969989 TUVFMVWWNWEFAW-QFBILLFUSA-N 431.562 2.361 30 10 IEEE C[C@@H](C(=O)Nc1nc2c(cc1C#N)C[C@H](C)CC2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1289758086 USXOPGSRUNCIBN-CABCVRRESA-N 441.532 2.484 30 10 IEEE Cc1nc(C)c(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1290378605 QHNULHUPKLLUPN-OXJNMPFZSA-N 432.550 2.169 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)C1 1299072052 AGYWGYFYNLVMEC-KRWDZBQOSA-N 432.475 2.451 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)NCC#C)CC1 1300394354 PAOFZGABRBJXJN-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300488672 GBBITUMOHZAGOP-IHPCNDPISA-N 428.558 2.244 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccn(C)n2)CC1 1300691252 RBXWZBRZVWVXNC-UHFFFAOYSA-N 425.924 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](OC)C2CC2)CC1 1300716755 QKCQMKXXSLLKOH-NRFANRHFSA-N 437.544 2.345 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1300983345 HRJRBSABOONQJG-SFHVURJKSA-N 428.537 2.350 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301226429 FEFSRWLBELCCFK-GOSISDBHSA-N 428.562 2.496 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCOCC(F)F)cc1 1302989867 VQDHGAFFJGYRET-NRFANRHFSA-N 430.459 2.205 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN2CCCO)CC1 1303000773 SIYPPAOVRLHXDX-FQEVSTJZSA-N 439.520 2.440 30 10 IEEE CC(C)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303266638 SLQGFBQREVLRNR-QGZVFWFLSA-N 439.564 2.437 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1303307621 FGILRFIDMVPWOL-XTQSDGFTSA-N 449.559 2.392 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@H](O)CNC2(c3cccc(C#N)c3)CCOCC2)CC1 1307940809 JLYXFNLXWLLDNM-SWCONJRYSA-N 430.545 2.389 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)C1 1314011704 ZEPLTIRPWAZZBF-INIZCTEOSA-N 444.492 2.115 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1358923010 ZFGWRFLEUBHTDR-INIZCTEOSA-N 445.545 2.039 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359018377 NVBCIZXBCLQITQ-BGYRXZFFSA-N 444.624 2.357 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359054628 BMHYMDKIBNTJMW-QGZVFWFLSA-N 427.578 2.234 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1359106579 JIRMCZRFSYWFFT-UHFFFAOYSA-N 448.593 2.117 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccs2)CC1 1359302467 ILBILGCVEXDQBK-UHFFFAOYSA-N 443.602 2.324 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359303313 JTKNVFRBAIXRJE-VQTJNVASSA-N 425.533 2.350 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359306241 ZXXVUHCYEHQJPN-FGZHOGPDSA-N 435.569 2.016 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)CN(C)C)C1 1359318370 CSCHIEFVDUEXPC-INIZCTEOSA-N 430.553 2.375 30 10 IEEE C#CCN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)[C@@H]1CCOc2ccc(Br)cc21 1360310622 JGWORBRKGXUDGS-QAPCUYQASA-N 441.347 2.206 30 10 IEEE Cc1cccc(CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1361061123 DWECFBCUSRCDBC-LQTLECTNSA-N 436.516 2.253 30 10 IEEE CCOc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1S(=O)(=O)N1CCCC1 1463561419 OYMOVFXOMRLFJD-UHFFFAOYSA-N 428.510 2.466 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1465832922 NSXUSCBENVOOBK-DLBZAZTESA-N 442.988 2.177 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1468154052 HTODWNPCQYMGDJ-HKBQPEDESA-N 447.557 2.016 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2S(=O)(=O)CC)c1 1471762876 JLLYAIIHKWTHTK-UHFFFAOYSA-N 433.551 2.250 30 10 IEEE CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)c1cccc(OCc2ccccc2C#N)c1 1471853918 ZORMRQOQJJDIPI-UHFFFAOYSA-N 428.452 2.151 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCSCCOCCN1C(=O)c2ccccc2C1=O 1473029002 BWQSXGUMKWSGRO-UHFFFAOYSA-N 448.500 2.332 30 10 IEEE C=CCN1CCC(NC(=O)N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)CC1 1477806196 ZWRXIGAIQLFAPD-LJQANCHMSA-N 447.584 2.300 30 10 IEEE COCCOC1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCOCC1 1478477169 XXMIPHOPQVDAGA-UHFFFAOYSA-N 432.521 2.155 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)C1 1503861000 KJKWLXIOGJGDAW-LJQANCHMSA-N 439.516 2.402 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1504884964 GONRZDFRUSEOTN-QGZVFWFLSA-N 447.561 2.287 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1505044550 TYSLEXKCNOTSNG-IBGZPJMESA-N 427.505 2.259 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1505082816 MVGCVOMDGJWJLP-MAZHCROVSA-N 441.410 2.283 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OCC=C)C1 1507583648 UJNUHJUXTNDVFW-KRWDZBQOSA-N 428.562 2.433 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)[C@H](OC)C1 1507803825 HEYSIFIPZFUVJC-OQIJWPOYSA-N 435.569 2.028 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507905274 VXFIFDZBRYRSIM-IDYLYPCZSA-N 426.521 2.449 30 10 IEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCCCOC)CC1 1508061316 QCWBSRHMGIAMBD-UHFFFAOYSA-N 437.548 2.072 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCOCC2)cc1 1509576520 BJYORAUGSACYNO-QGZVFWFLSA-N 425.537 2.040 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(C)(=O)=O)C1 1510283167 BNKPXKQWDDQXLM-NRFANRHFSA-N 439.545 2.173 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CCO1 1514137077 DBJZYXFAWFBOHU-LJQANCHMSA-N 429.546 2.257 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1519116663 LWAQQQIFGBCTHC-UHFFFAOYSA-N 442.564 2.230 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1519302472 BMSRGLHFIDTREC-RWNPKEDZSA-N 446.552 2.299 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@H]2CCCO2)cc1 1521082469 HGKVPXHTOBKTHL-QGZVFWFLSA-N 439.438 2.373 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539218801 DKBZENZJGGSDRH-GOSISDBHSA-N 446.573 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCc2ccccc2C1 1539330784 BHUQTRKBBGVXCN-OAQYLSRUSA-N 444.583 2.310 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(C)C)nc2)CC1 1539460117 WWBKCODJTBDYNO-UHFFFAOYSA-N 448.575 2.125 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1539498323 SEUWGJFNZUUBDD-ROUUACIJSA-N 445.564 2.444 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1539510038 DFPIEGROYJZLKP-UHFFFAOYSA-N 440.602 2.189 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540864871 NQELSNFYDZYNLT-BPQIPLTHSA-N 426.477 2.017 30 10 IEEE C=CCOc1ccc(Cn2c(Nc3cnn(C)c3)nnc2[C@H]2CCS(=O)(=O)C2)cc1 1540879048 QYFQUUACHCOORM-INIZCTEOSA-N 428.518 2.270 30 10 IEEE CCCCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1542208458 ZEDTTZXBRXMWMG-SFHVURJKSA-N 426.579 2.453 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1545120786 BKXBJBAYUHXINW-SFHVURJKSA-N 440.548 2.065 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)CN1CCCCC1 1546532198 CLJXJNMSMYEVHN-RBUKOAKNSA-N 437.596 2.339 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)(C)C 1554666699 FUNQLSMKLRIFQB-APWZRJJASA-N 440.548 2.457 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C[C@H](C)O1 1555388761 KMZNIVGCWVHDOE-QGTPRVQTSA-N 433.459 2.481 30 10 IEEE Cn1ncc(C2CC2)c1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1557535929 MWBFWGFLAHCGJR-UHFFFAOYSA-N 429.546 2.213 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1C 1558747971 ZYUZCBYAFFBMBA-UHFFFAOYSA-N 442.545 2.086 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 1562225323 WSKKGRKNBHUXDF-UHFFFAOYSA-N 447.488 2.180 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@]2(O)CCSC2)c1 1587689590 MOGWQFKRVZUSEI-HSZRJFAPSA-N 448.552 2.264 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNC(=O)C1CCC1 1588024934 QLJWMMUPTPTXCF-HDICACEKSA-N 444.580 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H](C)N1CCN(CC)CC1 1588238449 VZPMUKHTGFXTHA-OAQYLSRUSA-N 436.579 2.497 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1588908150 LWGLGRXRNBNFDF-UHFFFAOYSA-N 442.470 2.412 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)C#C 1589006371 DSLSVKSOKHEELT-MRXNPFEDSA-N 431.587 2.020 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1589059953 LJEDCVMWKYLPGX-SFHVURJKSA-N 446.621 2.265 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@H](C)C1 1589259223 ITWPVGGEHLRPNP-BBMMYNIISA-N 445.608 2.494 30 10 IEEE C=CCCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1594775098 PVBXYAIXSLOAAP-FQEVSTJZSA-N 426.583 2.300 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1595108489 APVRTDWBVPBMBO-OAHLLOKOSA-N 447.590 2.289 30 10 IEEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595229920 XAXSBTGNRAOSRE-QFIPXVFZSA-N 446.573 2.202 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@](C)(OC)C1 1595569986 SWVVDHJCWAPLSI-QHCPKHFHSA-N 427.549 2.379 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1595800029 FWXPXFVDWXJHHV-BFYDXBDKSA-N 442.965 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCc2oncc2C1 1595831103 LDTYUFATKNLGSG-UHFFFAOYSA-N 447.492 2.148 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1595831474 QTZUBTYXUYHGPZ-OAQYLSRUSA-N 440.610 2.403 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597077527 KCBORSWVMXUVSI-ZDZITJCTSA-N 428.537 2.109 30 10 IEEE C#Cc1ccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)c(Cl)c1 1598568578 WFCBZTPJQFGIHW-IBGZPJMESA-N 447.944 2.489 30 10 IEEE COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1619258902 CIIUCGBTXDKCKJ-LSDHQDQOSA-N 447.499 2.445 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCCCCO)CC2)nc1 1620350154 ANFLZDYFYIJKJX-FQEVSTJZSA-N 439.564 2.318 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)c2)cc1 1624918550 BONKXNBSHKBFAA-GOSISDBHSA-N 428.514 2.186 30 10 IEEE C#CCN(C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)[C@H]1CCS(=O)(=O)C1 1625620063 QLKSNARQHAVGSR-ZDUSSCGKSA-N 440.934 2.425 30 10 IEEE N#Cc1ccc(C2(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CCOCC2)cc1 1631992509 GACXQVAISBGXOB-BJLQDIEVSA-N 428.558 2.406 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CC[C@H](N(C)c3cccc(C#N)c3)C1)C2=O 1640218431 GCNULPJXPMIUQP-HLIPFELVSA-N 437.544 2.342 30 10 IEEE CN(C)C1CCC2(CC1)CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1641466823 GPDJADNYPQUCIO-UHFFFAOYSA-N 432.590 2.228 30 10 IEEE C#CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CC1 1644948607 TUVGXMMNYILMCF-UHFFFAOYSA-N 443.594 2.323 30 10 IEEE CN1CCN(c2ccc(Br)cc2NC(=O)c2cccc(C#CCO)c2)CC1=O 1645292280 KMBIMQYWIDXEQM-UHFFFAOYSA-N 442.313 2.324 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3cccc4c(Br)cccc34)C2)c(=O)nc1O 1648029153 ZQGRJEKOUAOIGZ-UHFFFAOYSA-N 425.242 2.433 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2cc(C#N)nc(C3CC3)n2)CC1 1655964609 AFSDKMKOOBGIRA-KRWDZBQOSA-N 426.521 2.274 30 10 IEEE C=C(CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccccc1 1673395826 WBCSHLYWBINOHS-MSOLQXFVSA-N 435.546 2.128 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC([C@H](O)c3ccnn3C)CC2)c(C#N)cn1CC 1678537107 HHJAXHMIDKNXSK-IBGZPJMESA-N 428.493 2.267 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)CCO2)cc1 1681695639 AZVMWDGPTWWQKM-QFIPXVFZSA-N 434.496 2.314 30 10 IEEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)cc1 1686408075 RDUNJNXEFDNXCS-OAQYLSRUSA-N 437.496 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNS(C)(=O)=O 1689830519 AZRHOAWFMGQIFZ-AWEZNQCLSA-N 444.586 2.384 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(=O)(=O)CC 1689860569 CSWCPNXKSILEOI-QGZVFWFLSA-N 428.562 2.068 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1689960850 AQLQUMZCOWGRFK-AWEZNQCLSA-N 430.509 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C)on2)CC1 1690139765 ZSXORGGPXWYLJH-UHFFFAOYSA-N 449.471 2.164 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCN(C)C 1690200106 LCUNIXIDVOAMIL-HSZRJFAPSA-N 425.533 2.287 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)N(C)C)CC1 1690342504 MYZFKHIROSVUAJ-UHFFFAOYSA-N 434.928 2.453 30 10 IEEE CC(C)Oc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1690993039 DGJBOIVVRZDNTR-JKSUJKDBSA-N 434.566 2.320 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1695661473 ABQNPBMZKSDQHV-XLIONFOSSA-N 436.564 2.103 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCOC)CCOC1 1696084722 GAFWZXZZJRDIKU-SIKLNZKXSA-N 427.505 2.026 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CC=CCO2)cc1 1698488359 BOWHWOZXLBUPNS-FQEVSTJZSA-N 436.516 2.166 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(=O)N1CCOCC1 1705483883 DVPGCZNHPLLQNW-GOSISDBHSA-N 449.511 2.434 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2OCCC2(C)C)CC1 1705647767 LFVOBQQDNGOPMV-FQEVSTJZSA-N 436.560 2.429 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1705873609 PLEAEXIBXKVWQP-QGZVFWFLSA-N 436.516 2.269 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1705875718 DAPMLQVPIYCSON-IBGZPJMESA-N 449.552 2.171 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)C1 1705895916 XANIDRMPEUHHJR-GOSISDBHSA-N 437.342 2.343 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1710924041 QMAKHPSQHJMZOD-QTEAWJPNSA-N 428.562 2.096 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C(F)(F)F)cs1 1712565146 BQNMQBCAVJPTEM-RYUDHWBXSA-N 446.455 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC(O)CC1 1722290522 XPVSFPFQMPKAMF-IBGZPJMESA-N 433.560 2.436 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722361846 QIKCNUHPNKUTBM-QWFCFKBJSA-N 445.589 2.495 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cccs1 1722407166 FAQOTJCPAHMROF-NRFANRHFSA-N 434.529 2.350 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC 1722738753 ORFIXGPNRYYORH-ULQDDVLXSA-N 443.639 2.155 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1723559437 BNBQOXOJSYVYJL-UHFFFAOYSA-N 446.577 2.138 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)c1 1724282804 ZTWIXHSRVVMQKZ-PGRDOPGGSA-N 427.505 2.008 30 10 IEEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1726744251 NRENKHZFALPBEM-WMLDXEAASA-N 447.465 2.168 30 10 IEEE CO[C@@]1(Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1729955421 YJCUTVSCMATIHX-YADHBBJMSA-N 433.553 2.254 30 10 IEEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1730486235 IBYRFMFCLUCDKZ-MRXNPFEDSA-N 439.495 2.307 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1730924241 ITNUJDBMDBHTSZ-MRXNPFEDSA-N 425.411 2.247 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](OC)C(F)(F)F 1740541640 DIQFODGHWYYEGP-BBRMVZONSA-N 434.426 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCN(CCc3ccccc3)C2)CC1 1740705500 HPIPWWQYTIAULB-JOCHJYFZSA-N 448.615 2.371 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1740838705 WHMWMGKSOAUPGV-MJGOQNOKSA-N 440.523 2.115 30 10 IEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1740893687 SJLQAZRILGAOBK-UHFFFAOYSA-N 438.301 2.328 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1741123519 FAQHXDDNLCNHRJ-LSDHHAIUSA-N 442.524 2.434 30 10 IEEE CC(C)(C)[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741178318 INNOWRDGDMYBQV-YUMLTWSLSA-N 428.537 2.181 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](COCC)C1 1748735341 PQJNEILDWLXGOB-GOSISDBHSA-N 445.589 2.472 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1748755803 CTHUCBPZNLVYJY-UHFFFAOYSA-N 433.516 2.373 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(N(C)C)nc1 1748837334 CMUMITCTHZREEI-UHFFFAOYSA-N 428.496 2.298 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCC2(C)C)CC1 1749011038 YRXWNBIGSFCTMA-QZTJIDSGSA-N 426.565 2.021 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749187723 HGTORJUCOCKMDM-KRWDZBQOSA-N 431.566 2.142 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1749235028 MLEXWPFVYLOURJ-DEOSSOPVSA-N 439.560 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1749683172 LECDMFYLEHZKLZ-QFBILLFUSA-N 428.512 2.286 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)C1 1749710642 ZJBCINQJCKQYPH-RBUKOAKNSA-N 425.533 2.286 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749714213 AVYMOBJEXYAJRQ-XLIONFOSSA-N 440.548 2.221 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)c1 1751399866 CWRJSNNCFCENNK-UHFFFAOYSA-N 446.577 2.153 30 10 IEEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C2CC2)O1 1752292058 JPLMTESJTJGKCZ-LGZZVQPNSA-N 428.537 2.106 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H](C)C1 1760171132 WFXNJVJTBKVUDX-KRWDZBQOSA-N 429.594 2.040 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2ccccc21 1760248902 FOVKBJDPJUFTHG-VQTJNVASSA-N 442.585 2.386 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC(C)(C)C1 1760253708 VSHFZNWYDLSJPO-WOJBJXKFSA-N 447.624 2.394 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCS(=O)(=O)c2ccccc2)CC1 1760253759 ISMMJGCWZCXMOW-UHFFFAOYSA-N 429.590 2.195 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCCCC2)CC1 1760268484 SFWBKZYBWZCGIU-UHFFFAOYSA-N 437.592 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2csc(COC)n2)CC1 1760269918 GVISNXYQXJHKQY-UHFFFAOYSA-N 430.578 2.094 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCCS(C)(=O)=O 1760929804 DYUVTDILVGOOJR-UHFFFAOYSA-N 445.593 2.210 30 10 IEEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cnn1CC(C)C 1761630072 IDXXEYPMIQTASH-LJQANCHMSA-N 432.532 2.338 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C\c1ccccc1 1769845547 NRDJSQDYUCCCGZ-FVXMCEBTSA-N 429.546 2.260 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CCO1 1770943026 CCJPVIWYBUAAPB-DENIHFKCSA-N 442.589 2.106 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2C(=O)CCN2S(=O)(=O)c2ccccc2)n1 1851306908 CXLWIDYRRKPMLX-UHFFFAOYSA-N 438.387 2.259 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 1851976745 FMCYXTNDVACUEH-RYUDHWBXSA-N 439.900 2.127 30 10 IEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852456206 QARXXSGTCQKEKG-ZBFHGGJFSA-N 442.859 2.332 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)N[C@H]2CCc3nncn3C2)N2Cc3ccccc3C2=O)cc1 1852618778 ASRMDXZXXWWSMX-PZJWPPBQSA-N 426.480 2.368 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1cc2n(n1)CCC[C@H]2N1CCOCC1 1852734892 YIINXDCPFBDJDN-WMLDXEAASA-N 443.939 2.298 30 10 IEEE CC(C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cn3cc(C#N)cc(Cl)c3n2)CC1 1852801552 ZHSRXJPZOYECSX-SFHVURJKSA-N 428.924 2.017 30 10 IEEE C=CCC1(S(=O)(=O)N2CCC(N[C@H]3CCN(c4nc(O)cc(C(C)C)n4)C3)CC2)CC1 1853599530 SAJOAJHBKRIWLE-SFHVURJKSA-N 449.621 2.377 30 10 IEEE COc1cccc2sc(N3CC(C(=O)N4CCN(CCC#N)C(C)(C)C4=O)C3)nc12 1855896053 OEQJQVBFZLABKP-UHFFFAOYSA-N 427.530 2.104 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 1861256692 ZDXKVWVTAIQERB-QFIPXVFZSA-N 449.482 2.385 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862681819 HOBDVEWJURFMDX-LJQANCHMSA-N 440.427 2.327 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCO)Cc2ccccc2)nn1C 1869978989 NZWLYZKKPCMZNE-UHFFFAOYSA-N 437.500 2.396 30 10 IEEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1870109367 SCDNJXBLXCVHEU-QGZVFWFLSA-N 445.439 2.093 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CSc1nnnn1C 1870204161 FGHINAPBTDDDQP-UHFFFAOYSA-N 430.465 2.007 30 10 IEEE C=CCn1nc(C)c(I)c1C(=O)NC1CCC2(CC1)OCCO2 1871323690 QCHPCPOHFYKATJ-UHFFFAOYSA-N 431.274 2.398 30 10 IEEE CCOc1cc(/C=N/n2cnnc2SCC(=O)OC)ccc1OCC(=O)N(CC)CC 1874538680 RGSQWFBRDQZTED-SSDVNMTOSA-N 449.533 2.071 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)n2N)nc1C 1874543663 LTAHSUKFNCCHCK-UHFFFAOYSA-N 444.542 2.421 30 10 IEEE COc1ccc(CN2C(=O)CCC[C@H]2C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 1891395145 WLJXGZYAFPDZMV-CTNGQTDRSA-N 449.511 2.308 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2009979855 ODXXOUPGKCXEPY-GJZGRUSLSA-N 441.525 2.167 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCOCC2)C1 2054333140 FTFREULJBMKKBY-CYBMUJFWSA-N 439.372 2.231 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060622176 WTTQTSKLUMTAGZ-ZHCJQAHYSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060633615 PPIXOPQTHUWZTG-UHFFFAOYSA-N 435.374 2.233 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC#C[Si](C)(C)C 2074666212 WZGNCIBYSRRGGR-MRXNPFEDSA-N 425.579 2.440 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2085301297 IBCCXQYXEPAWPA-GJZGRUSLSA-N 439.362 2.230 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172777560 FDHZVTCBKSUADX-UHFFFAOYSA-N 447.204 2.403 30 10 IEEE C#C[C@@H]1COCCN1C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2215643126 NFGOKJUZITXFHU-HXUWFJFHSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@@H](O)C#Cc2ccccc2Br)C1 2227484855 SRMDYZICWXEIFT-HOTGVXAUSA-N 444.347 2.196 30 10 IEEE CON(CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2243685612 YHVCNJNEBXGFBX-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247922226 DQSUKKJJKMOVFD-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2255600031 KKRIZJVCKGLBOG-UHFFFAOYSA-N 442.390 2.332 30 10 IEEE CCCN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255631444 YZWTXBITBUAQDQ-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267008003 BRSKIYQJFDJRLZ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1ncc(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267015690 RQFXLHUNKUENMZ-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267099256 JHMICHBBXFAVKL-NUEKZKHPSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267135192 ZTSPTSBLLFUPPA-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE Cc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2268608192 SAHWIEQDWRAJJR-INIZCTEOSA-N 447.341 2.001 30 10 IEEE Cc1cc(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2268645386 UQSVUZJKFPANOM-UHFFFAOYSA-N 446.353 2.462 30 10 IEEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271383978 DCPRGKZEBFSNGY-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE CO[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1F 2282835219 QTWVEDHNAPITJJ-MNOVXSKESA-N 425.740 2.058 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccncc2)C1=C(O)c1ccc(F)cc1 2296139170 XYFCFBXEBIKJIW-HXUWFJFHSA-N 425.460 2.365 30 10 IEEE Cc1cc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(B2OC(C)(C)C(C)(C)O2)c1 2320561401 MLPXAEXWDJBFSB-RBUKOAKNSA-N 432.370 2.364 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(F)cc1F 2329035211 IVOGUYOFXCABRP-CYBMUJFWSA-N 437.472 2.428 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1cccc(OC)c1OC 2331235141 VKPMBRLJAKTBCL-UHFFFAOYSA-N 435.550 2.327 30 10 IEEE COc1[nH]c(=NC[C@@H]2CN(Cc3ccccc3)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339786345 KDIOPMQZJSDAQK-LJQANCHMSA-N 439.365 2.124 30 10 IEEE C=CCn1c(=O)c(=O)n(CC(=O)NCc2cccc(Br)c2)c2ccccc21 33268766 CSFACPARRZCKLU-UHFFFAOYSA-N 428.286 2.428 30 10 IEEE O=C(O)COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)cc1 33781062 WQBZGBPAZKXPAA-YJCKXXIQSA-N 444.444 2.239 30 10 IEEE COc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(O)c(O)c3)cc2)nc(OC)n1 59461106 HSBLEVQYCOPOEM-RGVLZGJSSA-N 430.442 2.456 30 10 IEEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)NCC)cc2)n[nH]1 59890016 GIWHWNLHZJWEHZ-CIAFOILYSA-N 439.567 2.422 30 10 IEEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 111048187 OYHVQCLDJHPORP-HXUWFJFHSA-N 438.553 2.086 30 10 IEEE C[C@@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccncc3)ccc2O1 135646621 PCUPJZYQNCNYIZ-MPFCKMIDSA-N 449.507 2.159 30 10 IEEE C=CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccccc1C#N 248225589 IZVGDMRTFDBBKT-PDFGSZSQSA-N 429.476 2.446 30 10 IEEE CN1CCN(C(=O)CC2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)CC1 435125125 VHXDLCKZLKEVKO-UHFFFAOYSA-N 435.576 2.235 30 10 IEEE C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1nc(C(=O)OCC)cs1 440604239 SBIKGFAXGNZFRM-UHFFFAOYSA-N 427.504 2.304 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 446114101 POUXHUIWESENSI-GOSISDBHSA-N 435.480 2.009 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C[C@H](CC#N)c4ccccc4)CC3)C2=O)n(C)n1 476653365 DITBANXLSBMGJN-FCHUYYIVSA-N 448.571 2.456 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(c4cc(OC)cc(OC)c4)C3=O)cc2C1=O 477356599 WVVGIFICDNXTEH-FQEVSTJZSA-N 449.463 2.021 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 481020207 UGBPSFCOZXXSGX-KXBFYZLASA-N 428.514 2.193 30 10 IEEE CCCc1c(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)cnn1-c1cccc(C#N)c1 488710427 DUCLYSPTOUHEBN-GJZGRUSLSA-N 440.504 2.274 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)cc1C#N 489264347 LTXLXHIJTDSRKA-AWEZNQCLSA-N 444.542 2.441 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N(CC(=O)N3CCCC3)C[C@@H]3CCCO3)C2)c(F)c1 502550288 AVJFNAAUDLEDSV-MOPGFXCFSA-N 428.508 2.154 30 10 IEEE Cc1cc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nn1-c1cccc(C#N)c1 506186592 BFEBRIDQQTTZPG-GOSISDBHSA-N 434.544 2.258 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 511318112 APMPNINKNIZLJF-JOCHJYFZSA-N 442.560 2.419 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 520896768 XTEFCIXINBBTMJ-HXUWFJFHSA-N 430.472 2.390 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@@H]1CCCO1 522386083 CVMKNZDVEGZGME-INIZCTEOSA-N 431.583 2.362 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(OC)c(C)c3)c2=O)cn1 523858675 WWIJUBKPYWAUCG-UHFFFAOYSA-N 448.548 2.305 30 10 IEEE CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 539356436 DIIMWAAEKTXMBT-SFHVURJKSA-N 435.528 2.438 30 10 IEEE COC(=O)c1cn([C@H]2CCCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)nn1 546586735 FSIVEYOEIXXXSD-OLZOCXBDSA-N 428.518 2.151 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 549669755 LZPBOFPUBOMSDN-KRWDZBQOSA-N 429.521 2.068 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](Cc3cccnc3)NC(=O)c3ccccc3)C2)nc1 552902635 OMOMQDAFTIWMKQ-YADHBBJMSA-N 441.491 2.369 30 10 IEEE CCO[C@@H]1C[C@](NS(=O)(=O)c2cccc(Br)c2C#N)(C(=O)OC)C1(C)C 553866772 PNYBFOFLVJWQPK-PBHICJAKSA-N 445.335 2.346 30 10 IEEE CC1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCN(c2ccc(Cl)cc2C#N)CC1 557664463 SNXHLXCFGWCQCQ-OAQYLSRUSA-N 429.908 2.019 30 10 IEEE C=CCN(Cc1ccc(C(=O)O)o1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152131 ZBOKVAMOMWUDHO-UHFFFAOYSA-N 434.470 2.490 30 10 IEEE CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 586860063 RGNHHCGCIWOTOM-VXKWHMMOSA-N 438.503 2.109 30 10 IEEE C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](c2ccccc2)O1 587665312 NFXKKNAZAIAWCY-DYESRHJHSA-N 433.512 2.027 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1S(C)(=O)=O 604540400 SZYJTQWEFIMCER-QGZVFWFLSA-N 429.523 2.424 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2cnn(C)c2)c1=O 728898648 OPLJZYHAALNAHE-UHFFFAOYSA-N 444.438 2.234 30 10 IEEE COc1cccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729670184 KYEMGRMXYPDEFJ-UHFFFAOYSA-N 444.516 2.283 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC2CCC(C(N)=O)CC2)c1 735864146 UOEXNRMIYIPFKV-PLRJNAJWSA-N 449.577 2.445 30 10 IEEE COc1ccc(Oc2ccc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)cc1 741251472 DCSMJPUQVATOIL-QZQOTICOSA-N 443.481 2.292 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC2(c3cccc(C#N)c3)CC2)C1=O 749014931 CSKGCSOTUCTIEI-QHCPKHFHSA-N 432.480 2.448 30 10 IEEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 753920808 LTMGLYZVEJPIAW-HXUWFJFHSA-N 433.464 2.487 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@]2(C)CCCO2)C1=O 756072835 XDCOIORKRQHWLN-UWJYYQICSA-N 436.553 2.394 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(N2CCCC2=O)cc1 756932470 ASVIESOUSFJQGH-IAGOWNOFSA-N 433.516 2.456 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)c1cccc(Br)c1 769217337 NTPYBWJLRRHXIY-UHFFFAOYSA-N 437.271 2.025 30 10 IEEE N#C[C@H](C(=O)CCC(=O)N1CCOc2ccccc21)C(=O)NCc1ccc(F)cc1F 786558457 CQVIWBYEHVWDOM-MRXNPFEDSA-N 427.407 2.496 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)CCCN1C(=O)OC(C)(C)C 790565701 UPHCPHDUJXUNKE-HSZRJFAPSA-N 444.532 2.417 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(Cc3nc(COC)no3)CC2)CCCN1C(=O)OC(C)(C)C 790950182 WJUXOQKPJBKEAR-JOCHJYFZSA-N 449.552 2.206 30 10 IEEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2cnn(CC3CC3)c2)CCCN1C(=O)OC(C)(C)C 791887215 NEONPGNLRROQBQ-FQEVSTJZSA-N 438.550 2.444 30 10 IEEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C)c2=O)cn1 793468442 JJPLIHOTDSBFEW-UHFFFAOYSA-N 434.521 2.031 30 10 IEEE COCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cccc(C#N)n2)CC1 802436926 JDRJMOBOVIAEBT-UHFFFAOYSA-N 449.515 2.105 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 809123534 BQLADTCWASHURY-UHFFFAOYSA-N 428.195 2.487 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 812263296 QEGPVYHRRLYBSR-OALUTQOASA-N 443.548 2.228 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 916179795 ZXVZZSXWTJHTOL-UHFFFAOYSA-N 449.554 2.157 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2CCN(Cc3nccn3C)CC2)C1=O 916728829 BLLJHFWDMMAJTF-QFIPXVFZSA-N 432.569 2.334 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1Cc3ccc(Br)cc3C(=O)O1)CC(=O)N2 1129604368 CKNXVEBWNFNFEN-INIZCTEOSA-N 426.226 2.388 30 10 IEEE N#CC1(CNC(=O)c2cc(I)ccc2-n2cnnn2)CCCCC1 1131326959 QCWPPGQJQIWAQW-UHFFFAOYSA-N 436.257 2.471 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1=O 1136612486 IWROQWZJQBZCBA-KRWDZBQOSA-N 443.500 2.285 30 10 IEEE CN(CC(=O)NCc1ccco1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1136641591 OEMHPHQIKPVHRJ-UHFFFAOYSA-N 431.290 2.125 30 10 IEEE C#CCN(C(=O)CCC(=O)N1CCC(O)CC1)[C@@H]1CCOc2ccc(Br)cc21 1136805002 QPLSVEMOVFDTET-GOSISDBHSA-N 449.345 2.498 30 10 IEEE CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1141380300 LDMFGDIALGUEBA-QGZVFWFLSA-N 437.905 2.275 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1141462954 ADRUNQXEBYYBIO-JTQLQIEISA-N 448.199 2.159 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1141598188 RJJDHZYINNJKJV-ROUUACIJSA-N 440.610 2.240 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 1146845680 IJIKIBNOHQTZPU-QAPCUYQASA-N 435.509 2.184 30 10 IEEE C#CCN(CC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)C(=O)OC(C)(C)C 1149180283 YPVOPPBHJVHNQS-PMERELPUSA-N 436.534 2.210 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccncc1Br 1154144656 GEJJXPMXYBDAOM-VXGBXAGGSA-N 437.319 2.260 30 10 IEEE CN1C[C@@H](CCNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1155628342 FIMGSTLZGOIRTQ-OXJNMPFZSA-N 426.517 2.377 30 10 IEEE C#CCOc1ccc(Br)cc1CNCC1(N2CCOCC2)CCN(C)CC1 1202811446 GCNVZNUMPLQRBF-UHFFFAOYSA-N 436.394 2.347 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 1214815079 AVGLXTZVLXYIIY-UHFFFAOYSA-N 443.548 2.371 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1225939062 VLOHHLHHKGLIIP-RCCFBDPRSA-N 435.569 2.030 30 10 IEEE C=CCN(C(=O)[C@H](C)S(=O)(=O)C1CCOCC1)[C@H](Cc1ccccc1)C(=O)OCC 1269213878 ADQUCXIBNZENKV-FXAWDEMLSA-N 437.558 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1286282645 ODBATRGBRVTJNP-SGTLLEGYSA-N 443.356 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(c2ccccc2OC)C1 1286415043 ISLIFORGKUSEEX-FQEVSTJZSA-N 448.571 2.414 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(O)cc1 1286439270 NBDIAOCFJMQNKF-UHFFFAOYSA-N 448.552 2.455 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1286472126 FEGRMOQLSYTITF-GGAORHGYSA-N 436.604 2.296 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286505102 YRVADQVPBZOPSF-UHFFFAOYSA-N 447.568 2.454 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286508178 OQKJKPJXKQSNCF-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cncn1 1286516138 XCTJNQNXUHFMOE-JOCHJYFZSA-N 437.504 2.255 30 10 IEEE C=C(Br)Cn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286547565 IFSBSZYTMQCXMR-CRAIPNDOSA-N 428.375 2.369 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286703237 GNGGWNSFFJVWRF-UHFFFAOYSA-N 441.580 2.181 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286784469 IGQDRPLMGMWQGH-GOSISDBHSA-N 433.560 2.430 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286828612 OXPCRRBXMNWOCW-UHFFFAOYSA-N 436.545 2.012 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(F)CCC2)CCO1 1286941049 GQZFBILMKONWNK-IBGZPJMESA-N 426.496 2.440 30 10 IEEE CC(=O)N1CCN(c2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2)CC1 1288128698 JNZXSNZGUYVENX-UHFFFAOYSA-N 436.516 2.378 30 10 IEEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc(C#N)cc2I)C1 1288997236 QCRIGWZIBQGYQJ-AWEZNQCLSA-N 441.269 2.375 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1291540399 QPNFIGCCQVJJGU-CVEARBPZSA-N 432.550 2.309 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4nc(O)n[nH]4)C3)C2)C1 1297025565 WBFVBGCKOOGFDP-IVASOFTHSA-N 430.509 2.003 30 10 IEEE CN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1298173439 FFCXPHMOTSSVJI-INIZCTEOSA-N 429.477 2.144 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNc2ccccn2)cc1 1300297691 YBPAWMITXPFUTN-FQEVSTJZSA-N 449.515 2.492 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300487662 KWICHBXCLOQVQE-IBGZPJMESA-N 444.605 2.022 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300488089 OOQGUFXUHMPJPY-MOPGFXCFSA-N 444.605 2.164 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300617297 XHZAAJBLPRMIEP-HXUWFJFHSA-N 426.540 2.486 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1)C1CC1 1301326499 AXQGCTUOFDDFTA-IBGZPJMESA-N 429.590 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301492433 INIXDQIUKOSZCU-IBGZPJMESA-N 434.500 2.309 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1301543289 XNHNZHBACYUDNH-GOSISDBHSA-N 431.924 2.239 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1301853599 MZDXHKYNTPHDIX-KRWDZBQOSA-N 432.475 2.451 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1302483888 HIFWUACDYDMIJV-HSZRJFAPSA-N 432.532 2.340 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[C@@H]2COCCO2)c1 1302990203 WYKVIDOGUPKSGS-SJORKVTESA-N 437.422 2.390 30 10 IEEE CC[S@@](=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314574387 QIQVVEKFIVUGKB-SSEXGKCCSA-N 428.562 2.314 30 10 IEEE COCCOCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1316259373 RLOGTTRXBLFEIA-KRWDZBQOSA-N 442.568 2.005 30 10 IEEE C=CCO[C@H]1CCN(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C1 1343394855 SCUOBTXPQNTRCW-KRWDZBQOSA-N 432.525 2.343 30 10 IEEE COC(=O)CNC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2C#N)cc1 1350808073 PIZRIYZHOWLZNS-UHFFFAOYSA-N 430.258 2.405 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1358960759 LHIJWEQPWHAPDJ-SFHVURJKSA-N 437.525 2.029 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358961026 QLRKPNHDVLYUIA-KRWDZBQOSA-N 433.578 2.353 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1358967793 SDVXOQOUDYPSSE-KRWDZBQOSA-N 444.557 2.293 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1359016554 GIWTZWIYOZUETM-UHFFFAOYSA-N 448.564 2.195 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccc1F 1359024148 GIRSJLSMHOXRQR-KRWDZBQOSA-N 448.564 2.383 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1359036138 OEFNJKVFBBFBON-FQEVSTJZSA-N 442.633 2.367 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1359037212 ZRZDZNKCYBJNHA-QZTJIDSGSA-N 429.515 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359091120 JGAYXLBXPCQZQA-SUWCGCSTSA-N 449.552 2.014 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1359142266 DIXCIIFDEIHQCY-LLVKDONJSA-N 431.896 2.482 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359294184 NJADYOXSAYKXPS-RDJZCZTQSA-N 429.521 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C1Cc2ccccc2C1 1359333922 OBTXTGFHBMIZSC-UHFFFAOYSA-N 437.569 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccs1 1359334558 JSKKKWGCNLBIDI-UHFFFAOYSA-N 434.591 2.438 30 10 IEEE C[Si](C)(C)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1437799341 SXVSJKHDAXBVBL-UHFFFAOYSA-N 429.618 2.396 30 10 IEEE COc1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N(C)C 1453776373 RWUOYZICXLLZNK-UHFFFAOYSA-N 428.514 2.232 30 10 IEEE N#CCCN1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4F)c(S)nc3c2)CC1 1457981897 MRJNDEOKKXBICR-UHFFFAOYSA-N 437.500 2.485 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)[C@@H]3CCC[C@@H]3C#N)cc2)C[C@@H](C)O1 1460605056 GICUJRXVCUEXHN-WOCWXWTJSA-N 434.562 2.047 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(=O)NCc3ccc(C#N)cc3)C2)cn1 1460656333 JVTASUPHZJQZBO-UXHICEINSA-N 437.544 2.355 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C#N)c(F)cc3F)CC2)cc1 1467184505 HOVMYPPXKSQLCH-UHFFFAOYSA-N 436.440 2.383 30 10 IEEE Cc1noc(CCCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1493123638 RPFPVVKKPWJCHX-VQTJNVASSA-N 433.488 2.085 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1504425465 BMFLUTWYHVCVQK-GVDBMIGSSA-N 447.561 2.395 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1505044551 TYSLEXKCNOTSNG-LJQANCHMSA-N 427.505 2.259 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1505131809 RKKOAXDEPOKPBA-RXVVDRJESA-N 447.536 2.207 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOCC(F)F)CCO1 1505321515 BVKXFIOZEUJHBH-HNNXBMFYSA-N 435.431 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccsc1 1507656763 JTCHPEWAGLMRTP-OAQYLSRUSA-N 439.566 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCS(=O)(=O)C1 1507672737 FSNSANQXCXDAAH-HXUWFJFHSA-N 440.569 2.187 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1507997731 XIIJVXIUPXFOQJ-VGOFRKELSA-N 443.573 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](CN(C)CCC)C1 1508078726 HCXQAPYXSVBMDO-KRWDZBQOSA-N 440.548 2.144 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1508348061 MMZCAIAZGKFRQF-NRFANRHFSA-N 433.560 2.431 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1508434813 UOKHZVKBZCYKQZ-DBHNTLKXSA-N 448.568 2.450 30 10 IEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CCO1 1514384828 FIQVFUQOUZSKQT-IBGZPJMESA-N 436.520 2.403 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc3ccnn3c2C(F)F)c1 1526853770 RZSGUOPWVIUHOH-UHFFFAOYSA-N 439.422 2.154 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)n1 1538614566 IFRIWDHEULFLDA-UHFFFAOYSA-N 427.266 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1538974052 QTGWUOOCHJTSPB-KBPBESRZSA-N 425.942 2.079 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539221875 RUBZBKIIFQCKNF-INIZCTEOSA-N 447.527 2.057 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc2ccccc12 1539239269 IZVZZQFBJBAJIR-MRXNPFEDSA-N 441.582 2.419 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1539343630 NYIAXFDOJLRURY-MSOLQXFVSA-N 448.593 2.168 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1540152562 XKNIYEDYXYXNNI-UHFFFAOYSA-N 430.534 2.071 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC(C)CC1 1540198326 HGYCNPQNPUBCTJ-UHFFFAOYSA-N 430.553 2.377 30 10 IEEE Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728563 LWNWIZDKIKGVTG-UHFFFAOYSA-N 428.470 2.230 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540866528 QFESXWZMYJBWCE-QGZVFWFLSA-N 429.956 2.360 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540880385 FJEWLUHXQZQAEH-WOJBJXKFSA-N 441.532 2.084 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(Cc3ccccc3)c2)C1 1540882616 LOKODHZVSUYTOV-NRFANRHFSA-N 449.559 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2ccccc2CC1 1540900642 CDNUGKYANIWEOW-UHFFFAOYSA-N 425.558 2.490 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1544756398 VCGBYRJZHYVMBR-APWZRJJASA-N 446.502 2.398 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(CC)C2)CC1 1548280214 HCWUFCHQDQRRHH-NRFANRHFSA-N 437.592 2.317 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1O 1555941296 ZUWIMNAGRIYABT-NQIIRXRSSA-N 437.592 2.050 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(CC)cc3)CC2)cc1 1558124630 PTIFSFCSUJVAMS-UHFFFAOYSA-N 425.554 2.119 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1=O 1559344068 UMXIDZJGDLFDHP-UHFFFAOYSA-N 448.523 2.451 30 10 IEEE COC(=O)CN(CCC(F)(F)F)S(=O)(=O)c1ccc(Br)c(C#N)c1 1561350741 FOJHOTCAKLDLJN-UHFFFAOYSA-N 429.214 2.437 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)CC1 1561940609 PBMREPVCZYKAHZ-UHFFFAOYSA-N 446.323 2.050 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CCO2)c1 1564845703 AZYNQPFTCOAZGA-QGZVFWFLSA-N 431.290 2.266 30 10 IEEE Cc1nc([C@@H]2COCCN2C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)no1 1567510585 PDQYWSBZNADHPL-WZHMAMEKSA-N 431.493 2.065 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 1583219225 QCSKVCXXRMZENC-ZHACJKMWSA-N 427.526 2.309 30 10 IEEE C#CCCN1CCN(C(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 1584027947 IDLKSEACUWMSLO-UHFFFAOYSA-N 431.558 2.093 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 1585004436 LGZCGIDAVQKGPT-NRFANRHFSA-N 448.608 2.134 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 1587356349 RASNAGCTNYJGSK-KRWDZBQOSA-N 426.416 2.080 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1587626206 IQEXTFUDPZESCM-ROUUACIJSA-N 449.559 2.289 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587818014 NUTQHUOXENBCEH-INIZCTEOSA-N 448.545 2.008 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1587847878 VZQHRZLIHHCGHS-UHFFFAOYSA-N 443.555 2.405 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1587856407 KUNUVPPXDQBCTK-IEBWSBKVSA-N 432.546 2.372 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1587861641 OYPRHTJJASVVOL-SFTDATJTSA-N 442.585 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCNC(=O)c1cccc(O)c1 1588124904 VTFWZLZVSSVTDS-UHFFFAOYSA-N 428.496 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1Cn1cccn1 1588245532 IIPJIDOKLOQPEB-UHFFFAOYSA-N 441.539 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2cccc(C)n2)CC1 1588930140 OKDFDIJQKPJTME-HXUWFJFHSA-N 436.560 2.084 30 10 IEEE C=C(Cl)Cn1c(COCC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1593923110 FNOAFUZRDKPVSV-UHFFFAOYSA-N 439.969 2.468 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(=O)NC 1595085047 OUZYAHLSOPTARU-UHFFFAOYSA-N 449.559 2.351 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C(C)(C)C)c(=O)nc1O 1595201709 DTLWHHAIJKOUIU-ZDUSSCGKSA-N 428.917 2.356 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1595706493 MBWOEQWQRAIQLM-BKBKCADHSA-N 434.500 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1595785177 SMFFADIWTXMRNM-IBGZPJMESA-N 442.545 2.327 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N2CCCCC2)CCOC1 1610339698 ZMQAEHCQHNZKQH-PGRDOPGGSA-N 432.569 2.460 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCCOC(F)F 1612885469 SQKHPKHHZQALKO-GOEBONIOSA-N 448.478 2.136 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CC(=O)N1C 1612911975 UOYPGZVFMBNUKS-PXNSSMCTSA-N 438.532 2.069 30 10 IEEE CS[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1620194095 BWKWRWDSKUAZCH-JKSUJKDBSA-N 437.577 2.412 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)CN3CSCCSC3)c(C#N)c2N)cc1 1621093718 FPRWDPZWIGGUNS-UHFFFAOYSA-N 430.603 2.380 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)cc1 1636584294 YTWXZODQYZPWPE-CQSZACIVSA-N 426.498 2.062 30 10 IEEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1638266806 SNWSKFOTAYBXBU-HZPDHXFCSA-N 449.573 2.332 30 10 IEEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)N1CCC2(CC1)C(F)(F)C2(F)F 1638528892 RSMWTUXOICNGAX-UHFFFAOYSA-N 432.296 2.087 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)c1cccc(C#N)c1 1645382730 GHWHZYCEYFSVRV-VQTJNVASSA-N 430.549 2.477 30 10 IEEE COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccc2F)cc1 1652916842 QPUJFFUUIOUYEK-HXUWFJFHSA-N 433.461 2.390 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C(=O)OC 1655079708 MRZNCVFQSGRMQP-RTBURBONSA-N 444.532 2.314 30 10 IEEE CS(=O)(=O)c1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F 1677627050 IBGWBFJUIWNCLL-KRWDZBQOSA-N 430.461 2.023 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689878345 FOUDAORNLHYHER-IBGZPJMESA-N 426.542 2.384 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCOCC1 1690089827 NRTAXDSLTSCHTP-SFHVURJKSA-N 435.507 2.235 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690133385 FGTUSZVOFOWIOF-VQTJNVASSA-N 439.560 2.172 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnccc2OC)CC1 1690133471 IGODHWHXSYWXMH-UHFFFAOYSA-N 448.527 2.073 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1690169554 GLXBUQPCFQBNOJ-UHFFFAOYSA-N 449.584 2.069 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690240357 FDYMRLGDMOLIKH-SCTDSRPQSA-N 449.577 2.346 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690466829 CJQITDWVYPMCDL-HNNXBMFYSA-N 442.486 2.262 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690480159 AQFOEKCKNHUMCY-MRXNPFEDSA-N 445.593 2.261 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1690674011 LVGKMPPGUZAZJB-GOSISDBHSA-N 449.559 2.005 30 10 IEEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 1690678367 UIRQUKLPMLFFHX-UHFFFAOYSA-N 444.540 2.172 30 10 IEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 1691579492 HFHVYBNTQSAJDB-QIJUGHKUSA-N 438.576 2.381 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@](C)=O)CCC1 1691870546 DYBYNHPGFACJAK-ZYSBOAIWSA-N 442.593 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1705495028 JTRNPRXAAQMALQ-QFBILLFUSA-N 432.546 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705566076 XJXMGKYZPKMQOS-SFHVURJKSA-N 443.573 2.052 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cc[nH]n1 1705872686 HVWUNGHFCQSLRN-UHFFFAOYSA-N 435.488 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@](C)(C(N)=O)C1 1705896116 BWPDRSGJKCDSQS-RCDICMHDSA-N 442.589 2.135 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)C1 1705921531 UMLSSOHMTLWXCJ-KRWDZBQOSA-N 446.939 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H]1C 1705937888 HWBXFQCTYYBPHJ-GJZGRUSLSA-N 437.591 2.105 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)c1 1707221401 UIRIHAJBQZYGPW-KNQAVFIVSA-N 427.505 2.008 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712885840 ZWQDDWPOUYKKTL-BWVDKLOVSA-N 439.520 2.176 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCC[C@H]1C 1722355279 SGDPPSAHJUUKSS-JLHGSKIFSA-N 433.553 2.207 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722372054 ONGVBCSYFARKOM-WMLDXEAASA-N 433.603 2.426 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1cnc2c(Cl)cnn2c1 1722386679 HCGNGZUOSZXTIJ-UHFFFAOYSA-N 447.934 2.151 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1722476119 YXFPHADEOHBMDN-FXAWDEMLSA-N 449.602 2.021 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722537659 CLSQEESTTAHDCN-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccsc2)N(C)C)CC1 1722559911 LWIZUOPVGAFGHE-NVXWUHKLSA-N 438.623 2.409 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722608179 XFNLBYYHIDKGFG-UHFFFAOYSA-N 436.516 2.213 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1722671891 FMKLEGQUSWLJST-LJQANCHMSA-N 425.537 2.046 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nnn(C)n2)C1 1722723165 VYYONJKMTCPRDF-INIZCTEOSA-N 426.550 2.232 30 10 IEEE CC(C)[C@H]1CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1723209507 LJUMJKCDGQIXTL-UGNPLGLKSA-N 435.532 2.415 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CCO1 1730585446 BCDUNVHUNKKJGN-TZIWHRDSSA-N 441.532 2.112 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1c[nH]nc1C 1740547355 SMKDVMXFKVSSDT-OAHLLOKOSA-N 430.516 2.314 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1740609243 HWANFJTVPRKYDA-PMACEKPBSA-N 443.573 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCCN1CCN(CC)CC1 1740651334 GDPDBZNYTXAKTI-UHFFFAOYSA-N 434.588 2.444 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1740714785 KSSDDBYARNJJOD-IRXDYDNUSA-N 430.578 2.007 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC(C)(C)C1 1740752646 YUVLVBLAOVWBFE-ULQDDVLXSA-N 425.599 2.496 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1740884363 YPTADSMGKUWISY-UHFFFAOYSA-N 449.577 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740993759 IBFGASQXNVLMBF-GHTZIAJQSA-N 438.594 2.156 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740995749 WLIDYMSLQVILIM-QGZVFWFLSA-N 435.594 2.208 30 10 IEEE CCCN1CCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1745750803 NFJBPDYMBTURGT-FQEVSTJZSA-N 438.580 2.282 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1746435149 DTHYBRNHHRUZDQ-WOJBJXKFSA-N 429.613 2.328 30 10 IEEE CCOc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)ccc1OC 1746774358 DJXVGNXNTMZANQ-MRXNPFEDSA-N 426.521 2.452 30 10 IEEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(C)(=O)=O)cc1 1748720252 HXTCICLEHDKETB-NRFANRHFSA-N 431.562 2.247 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1748824516 PQSODUJSQJTGKM-KRWDZBQOSA-N 432.521 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCCC1=O 1748875705 VJLMNRZNPIXEPF-UHFFFAOYSA-N 446.555 2.050 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC1(O)CCC1 1748947070 ZXPINJJPUSSKPV-UHFFFAOYSA-N 425.508 2.485 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1ncnn1C(C)(C)C 1748965437 SNXFRSOEWVTJHN-UHFFFAOYSA-N 425.512 2.489 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCCCC2)n1 1748971175 GEPYEGKKQWBCRP-FQEVSTJZSA-N 439.564 2.292 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1748978825 PMZAPCWWYVBJOP-BJKOFHAPSA-N 445.608 2.017 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@@](C)=O)CC1 1749086508 HTUFCWYZVNTBHH-WWOZWPLTSA-N 433.509 2.219 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1 1749119001 MBQCGJSVRWEIKW-UUAJXVIYSA-N 443.639 2.200 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1749331333 YGHHVWGTLVOUOR-AUSIDOKSSA-N 433.597 2.301 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@H](C)CC 1749482686 LXHCLIXSENRMJC-OAHLLOKOSA-N 433.582 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@]2(C1)OCc1ccccc12 1749739616 HSNCUCYVJVNHBU-OAQYLSRUSA-N 432.546 2.051 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCSC2)CCOC1 1751017863 PUZZKFZOUPHWBC-NHCUHLMSSA-N 435.594 2.317 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1760099907 NWRACGYAXLRVHH-CYFREDJKSA-N 439.560 2.273 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cncn1 1760287752 FCWLJFFGNHRBIP-OAQYLSRUSA-N 438.923 2.145 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1760290476 GVTBYEUSLFLIIS-PKTZIBPZSA-N 441.532 2.383 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1760326301 VRSNAFROHVFTNX-GHTZIAJQSA-N 446.573 2.116 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760441893 YEYNKWLPXFHNKQ-IBGZPJMESA-N 430.578 2.234 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2)C1CC1 1760470117 LPKXKWYSWGRWGN-HNNXBMFYSA-N 447.561 2.253 30 10 IEEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1762347819 GVBDOKUEEFYSFI-KRWDZBQOSA-N 432.532 2.469 30 10 IEEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1762347820 GVBDOKUEEFYSFI-QGZVFWFLSA-N 432.532 2.469 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C1 1770726294 CUPGTVGYCNQSRQ-LJQANCHMSA-N 448.480 2.120 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC2CCOCC2)CCO1 1770750988 BRXKQORBGSDNFB-GOSISDBHSA-N 445.495 2.311 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(F)c(F)c1 1771304873 MLCXRJYMJUFCBP-BXWFABGCSA-N 433.459 2.252 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1772566719 FEAWJHRQCKYMDB-UHFFFAOYSA-N 439.520 2.473 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)OC[C@H](C#N)Cc3ccc(Br)cc3)CC2=O)cn1 1848485258 OJJPQZBZNSKJSV-GJZGRUSLSA-N 431.290 2.461 30 10 IEEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cn2c1 1852316449 RSHJPCDGOCCZOC-UHFFFAOYSA-N 447.879 2.145 30 10 IEEE C=CCN(C(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O)[C@@H]1CCN(C)C1=O 1852523767 URTWVGJQUSPNFQ-GOSISDBHSA-N 441.919 2.051 30 10 IEEE C=CCCc1nnc(NC(=O)[C@H]2CC(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 1852639789 SZJSSVRPXJRDEC-AWEZNQCLSA-N 433.509 2.375 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@H]1C 1854312850 OVANFRWXGHVLLL-CRAIPNDOSA-N 439.965 2.129 30 10 IEEE C=CCN(CC=C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 1854609234 SZSXFFUDSUEYFH-FQEVSTJZSA-N 431.558 2.276 30 10 IEEE CCOCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857898726 MZJVVDPZWROJMC-UHFFFAOYSA-N 445.497 2.412 30 10 IEEE C[C@@H](NC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)O 1858788273 AWXIYNOLTMDMED-SNVBAGLBSA-N 429.458 2.116 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870142999 QQCSCEVCLOVIJO-ZDUSSCGKSA-N 430.424 2.161 30 10 IEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CCC(=O)c3ccc(F)cc3)cc2C1=O 1870147268 GWLPYEAPZVLEMY-UHFFFAOYSA-N 446.398 2.105 30 10 IEEE C=CCOc1cn(CCOC)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870384255 XUIKGGKRWCKSRO-UHFFFAOYSA-N 428.489 2.290 30 10 IEEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870451415 JULQAQVUZILANV-UHFFFAOYSA-N 426.517 2.084 30 10 IEEE Cc1nc(-n2cccc2)sc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890082041 LADBFTLCPYJGGZ-UHFFFAOYSA-N 441.601 2.114 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1988463724 ZCUJYLSGLGHXOO-XHSDSOJGSA-N 427.542 2.332 30 10 IEEE CC1(C)OB(c2cc(NC(=O)OCc3ccccc3)cc(S(N)(=O)=O)c2)OC1(C)C 2081128593 HKACFBXPTLPIEO-UHFFFAOYSA-N 432.307 2.382 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124531926 HCQMCAHWNOWVRU-GOSISDBHSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141677588 HRZIMSUPZPGVJW-ZBFHGGJFSA-N 447.341 2.249 30 10 IEEE C=CCn1ncc(N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)c(Br)c1=O 2162349453 XFDVMSWMFLJBHI-CJYSPXJISA-N 441.326 2.284 30 10 IEEE C[C@H](CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1 2232259925 JPRVQCBVDCWPSW-QGZVFWFLSA-N 446.401 2.156 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2243383725 BVKIGIWDPOQCLN-NSHDSACASA-N 425.360 2.394 30 10 IEEE CC(C)(C)OC(=O)N(CCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255594029 AMMCELYZJQBSPP-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255626036 ADXJHSNALBZGNA-ZDUSSCGKSA-N 434.346 2.084 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255631345 XKAWBTVXNUSYMU-HIFRSBDPSA-N 434.346 2.227 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255645051 FBBPNKWCIVAVKH-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255873103 BOCPTAWMGHEFSI-HXUWFJFHSA-N 426.322 2.031 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256034233 HSTNLPJPPAEZNN-HOTGVXAUSA-N 433.358 2.032 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2267099758 NLIOOPQCAQVJRA-VNQPRFMTSA-N 446.357 2.227 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267175459 MGEIHKLZBMUCQX-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE Cc1ccc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267236718 DZMMUIHDVJOMJC-ROUUACIJSA-N 446.353 2.316 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2267496422 AYXPZLPAJWYCEZ-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267514270 WWBIUQDYAXEZFJ-UHFFFAOYSA-N 443.353 2.025 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267522943 YJYTXHWCCWHAPM-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267523557 DGIGUEZHWNEEFL-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N2CCO[C@]3(CCCN(C(=O)C(F)(F)F)C3)C2)OC1(C)C 2267563831 DFXSOOVGCFGGSL-PJIJBLCYSA-N 446.275 2.251 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876494 NDXCXGTUDVDYRL-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268632465 KQWQXWAVIOEPNC-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268698620 CHGMROSQHDFHND-MRXNPFEDSA-N 448.373 2.164 30 10 IEEE Cc1cnc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268990161 JTCPFQUHMWVOAJ-SFHVURJKSA-N 440.305 2.089 30 10 IEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2269041044 CVRKDDANLFSGSP-UHFFFAOYSA-N 441.337 2.233 30 10 IEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1C 2297059761 HGZTWEKBLIAURB-SFHVURJKSA-N 429.473 2.385 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2302290906 VEWYZYUCAYAXFT-JYJNAYRXSA-N 442.387 2.491 30 10 IEEE CC1(C)OB(c2cc(=NC[C@@H]3COCCN3Cc3ccccc3)[nH]cc2F)OC1(C)C 2322310770 JWCFKVNSYOMDNR-GOSISDBHSA-N 427.329 2.255 30 10 IEEE COc1cccc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)c1 2328261359 WCFRRBGHZRMOBC-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc(O)c1 2330773256 YPTQHPMSTGEROI-UHFFFAOYSA-N 430.534 2.043 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 2337201748 YZDYBJFZWVQMRW-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE O=C(/N=C(\NCCN1CCOCC1)Nc1ccc2c(c1)OCCO2)c1cccc(F)c1 46135059 VIJJGUMRLGCRDN-UHFFFAOYSA-N 428.464 2.127 30 10 IEEE COc1ccc(-c2cc3c4nn(CC(=O)Nc5cccc(C#N)c5)c(=O)n4ccn3n2)cc1 96322593 GXSOYYLHCFTGSI-UHFFFAOYSA-N 439.435 2.330 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccn3)c12 436005176 XPIUQVSQFUURRY-HNNXBMFYSA-N 436.497 2.496 30 10 IEEE N#Cc1cnc2c(Br)cccc2c1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 440669365 FHFUHZNREMCQEK-CQSZACIVSA-N 435.347 2.178 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)s2)c1=O 482549900 BDNFBANQEWEQOF-UHFFFAOYSA-N 434.546 2.168 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)C1 484147127 OXWANUAUUDKURJ-MRXNPFEDSA-N 443.529 2.476 30 10 IEEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(OCC(=O)NC2CC2)cc1 502509972 IILYQACDCJGMDW-KRWDZBQOSA-N 448.527 2.203 30 10 IEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(c2nccn(C)c2=O)CC1 508831698 GDQNJCGBDKGHRX-UHFFFAOYSA-N 435.532 2.026 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 508951103 LPRWBPXZIBYCEH-IBGZPJMESA-N 431.562 2.439 30 10 IEEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C1 521297780 XXNVRVJPNPMKDA-RDJZCZTQSA-N 438.981 2.213 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCCO1 534604393 RJMDNAPRQHKGIE-INIZCTEOSA-N 439.562 2.284 30 10 IEEE CCN(CC)C(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537247099 ANJROFCNVUCSNR-IBGZPJMESA-N 431.606 2.037 30 10 IEEE Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546168854 ZJSDRJLLRDBHMU-UHFFFAOYSA-N 441.557 2.301 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCCO2)CC1 550062266 BHPWEOHTCTYGAZ-FQEVSTJZSA-N 430.597 2.004 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCC2Cc3ccccc3C2)CC1 550297744 KMTAPDSEDRRAHT-UHFFFAOYSA-N 438.553 2.379 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C)CC1 555332159 LXJYNIUBGXMURW-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 669816557 XCLKSFQAQLVJKY-MRXNPFEDSA-N 443.895 2.317 30 10 IEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(c3nnc4ccccn34)CC2)C1=O 725766789 YOFIFIIHKWRPEM-HSZRJFAPSA-N 429.484 2.205 30 10 IEEE CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Br)c1 730139215 PXXUZEWNMIYHHB-CQSZACIVSA-N 427.368 2.468 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cccc(C(=O)NC)c1 733819419 ASUOBCQAZNSXMD-XMMPIXPASA-N 433.464 2.255 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)c1 735276331 XKEDTXSDIGYPCV-SFHVURJKSA-N 427.526 2.006 30 10 IEEE COc1ccc(CNC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1C#N 746773880 ZXPPPJWDOYOVHP-SFHVURJKSA-N 446.504 2.358 30 10 IEEE CC(C)CN(C(=O)COC(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H]1CCS(=O)(=O)C1 758115044 IESVKOFFECVVLP-OAHLLOKOSA-N 446.447 2.406 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)cc2)C1 760299054 IGPCJICOHJJWEM-QZTJIDSGSA-N 443.573 2.399 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 762636247 OOVHUMWEKMFSTE-GOSISDBHSA-N 427.482 2.143 30 10 IEEE Cn1ncc(Br)c1C=NNc1ccc(S(=O)(=O)NC2CCCC2)cn1 782198646 JCQLWDNQHNUOIM-UHFFFAOYSA-N 427.328 2.245 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1=O 785555308 QAVMSOSOUPFIMK-YADARESESA-N 432.480 2.446 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1 788694816 WVDSMKBNJZYJKR-UHFFFAOYSA-N 426.882 2.224 30 10 IEEE C=CCC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCC1 791564638 VFASAOVQESKCOU-MFOYZWKCSA-N 432.542 2.421 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)n1cnc(C#N)n1 798360743 XYPCJZMCYNZLFH-OLZOCXBDSA-N 428.518 2.199 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1 813983843 FAIFITBUOWRRGU-SXLOBPIMSA-N 438.509 2.232 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](OC)C2CC2)c1 814708832 SXSPMZVTRPYOEV-UXHICEINSA-N 442.585 2.092 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cc1O 1084370490 YJPSSNSYNMZRCU-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1130962443 KUMUTQXMQFDFLP-IBGZPJMESA-N 429.498 2.063 30 10 IEEE O=C(CCOCC(F)(F)C(F)F)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1134997525 XBMUKKKMTVQKES-SKDRFNHKSA-N 429.354 2.262 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cs1)C(N)=O 1135982873 NYRNTQWGUBNXPF-PBHICJAKSA-N 429.571 2.061 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Oc2cc([S@](C)=O)c(C)cc2OC)s1 1142671233 CPYBIGAGWIWHQN-MHZLTWQESA-N 443.568 2.415 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 1143421246 XMEQNPWSKMTSLS-LJQANCHMSA-N 445.541 2.229 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1144144400 VGGHHTTZVOSAOB-FPOVZHCZSA-N 429.542 2.439 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]12C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2 1150872283 ZGVDQXARQHMVRT-JEZSTIGHSA-N 426.521 2.079 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(F)c2)c1 1152768450 JVHMDIPBRHZCSF-UHFFFAOYSA-N 444.532 2.131 30 10 IEEE C#CC[C@H](NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F)C(=O)OC 1161365498 UYJLBPOLUACDMC-NSHDSACASA-N 445.195 2.343 30 10 IEEE COc1cc(CN2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)cc(OC)c1OC 1210300639 CAFDKFOHMWSBJT-UHFFFAOYSA-N 425.551 2.100 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1286279690 WOGNGZMLQMCXFM-ZIAGYGMSSA-N 425.942 2.079 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCn2ccnc2C)c1 1286312074 UFDMIMJZYBMVJD-FQEVSTJZSA-N 447.543 2.433 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286391904 JTIXZJKQCMNADQ-AEFFLSMTSA-N 446.548 2.464 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286697622 CJEMTZJELBQVAF-UHFFFAOYSA-N 434.504 2.243 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286796458 SPEFTTVWIOOMGS-HSZRJFAPSA-N 433.516 2.311 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1286823846 QSDVNECSTJQVPO-GJZGRUSLSA-N 431.628 2.059 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1286967282 CSAHTZWFDPDJFD-CBGDNZLLSA-N 431.562 2.074 30 10 IEEE C#CCCN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1293932161 GRLMACJRSJSKHN-HNNXBMFYSA-N 429.995 2.159 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCS(=O)CC2)n1Cc1ccc(C#N)o1 1296882757 HDNQZDYHAUGXBO-UHFFFAOYSA-N 441.513 2.337 30 10 IEEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1299780441 UDJRCMAKZNDBLA-SFHVURJKSA-N 446.502 2.398 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1300402675 CMJHXYMXDXRLAN-KRWDZBQOSA-N 426.546 2.057 30 10 IEEE CSCc1noc(CCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1300414023 CRKXRIVBLOTBAU-UHFFFAOYSA-N 437.529 2.476 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(CC)CC 1300466603 YPZBWMJHDKJUOK-ROUUACIJSA-N 434.585 2.386 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300502307 RWVJQQQCNSBMEL-NHCUHLMSSA-N 447.649 2.225 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(OC)CCOC1 1300638576 FGZTVDVTQWGWMV-SFTDATJTSA-N 431.468 2.113 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1300742599 OUZOPXSNDHOMES-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1300949059 OMMGFMYYBLGAFE-GOSISDBHSA-N 426.496 2.474 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301259206 HXMABSKOQIFMRE-UGKGYDQZSA-N 430.553 2.117 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1301348676 GQNVTYXVWWKKEF-IBGZPJMESA-N 441.561 2.055 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@H](CO)O1 1301417146 OOPIAYUFSUVNQL-LSDHHAIUSA-N 440.342 2.214 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(N)=O)C1 1301481160 IKDNKQOXPSCRFI-GFCCVEGCSA-N 444.948 2.427 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1301505855 BKXVQZFDTKVQPW-LJQANCHMSA-N 448.527 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNC(C)=O)C1 1301534740 DTCPGDOHMAICNV-HXUWFJFHSA-N 440.548 2.455 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301604099 MDFAVRDGRFDNQM-OAQYLSRUSA-N 443.577 2.017 30 10 IEEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1301605915 CXOHYPGUQBGQCV-GOSISDBHSA-N 426.546 2.297 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1 1301617239 AANMJPSZGMXJOE-UHFFFAOYSA-N 444.609 2.053 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1301935265 ILLCJMPNNNSNPI-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OC(C)(C)C[C@H]2O 1304257295 ZHPQNMYLIMNUBF-FZKQIMNGSA-N 429.498 2.458 30 10 IEEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(OCC(N)=O)c2)cs1 1304647856 FCRJZUWIYNIYQN-CQSZACIVSA-N 439.545 2.142 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)n(Cc2ccccc2)c1C 1308138924 AIPRFZMIZVNGJD-PKTZIBPZSA-N 435.572 2.494 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)OCC 1309760293 CXEIALBRPYKLAA-ZDUSSCGKSA-N 442.843 2.331 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)CC1 1309989032 CTECCDBSHXIAST-UHFFFAOYSA-N 444.513 2.105 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2COc3ccccc3O2)CCOC1 1314079363 ACKCCOLVPHQMGX-DRSNIGMVSA-N 427.505 2.366 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1314403068 FINAYFXFEGTUFJ-QGZVFWFLSA-N 425.468 2.225 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1314740801 BHXXFTFMKRODOH-INIZCTEOSA-N 436.438 2.359 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1316241377 YIINNMAKYWQZLA-RQZFFVEVSA-N 443.573 2.360 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(NC(=O)OC)c1 1358976946 XZQKVAPMAIDSLL-UHFFFAOYSA-N 446.467 2.305 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nc(C)cs1 1358978277 IDFMHVCYIVYAPD-UHFFFAOYSA-N 432.557 2.338 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1359011035 IRWGDLLKEHTDQH-SFHVURJKSA-N 429.952 2.477 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1359228261 YFRKSKXQUQWTPR-VQIMIIECSA-N 427.505 2.085 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1359302280 BEFCTYCVEVQDSS-UHFFFAOYSA-N 434.500 2.321 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCOC 1359327629 GVAQKQQFUAICKY-UHFFFAOYSA-N 429.546 2.485 30 10 IEEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359718134 TVAJSGDEFKVWEE-PXNSSMCTSA-N 439.539 2.061 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1360338382 CLEZAVANGCGIDO-ZTFGCOKTSA-N 429.443 2.185 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CC#N)C(F)(F)F)ccc1Br 1439450119 BOHXFOSRLOOGFL-LLVKDONJSA-N 428.230 2.274 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cnn(C(C)(C)C)c2I)CC1 1460023490 LEBPCGQGIQAAER-UHFFFAOYSA-N 444.273 2.162 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CC1 1461539741 CXHBBOREDIACGV-ZDUSSCGKSA-N 443.460 2.369 30 10 IEEE Cc1cc(C2(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)CCOCC2)on1 1464066837 NJCFJKGTBYSVOA-UHFFFAOYSA-N 434.500 2.420 30 10 IEEE CN(C)CCSc1nc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1 1466735864 FONWWVRTIFSRHL-ZFWWWQNUSA-N 439.607 2.215 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@](C(=O)OC)(c3ccccc3)C2)c1 1468445016 BYTCLLBTMSBALP-HSZRJFAPSA-N 425.506 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 1469107731 NVFVPZJQZKHTGO-HKUYNNGSSA-N 447.557 2.476 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccc(Br)cc1 1470664072 VFUWBTPGZVPPNM-MRXNPFEDSA-N 428.352 2.094 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1471717754 DHDCMJQIXWWVNN-PGRDOPGGSA-N 429.521 2.016 30 10 IEEE CCOC(=O)C1=C(CN2CCN(c3ccsc3C#N)CC2)NC(=O)N[C@H]1c1ccco1 1473640009 FOUVOAIANOCFPJ-IBGZPJMESA-N 441.513 2.206 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)cc1 1475973471 JRMKIOCGBWLEKO-UHFFFAOYSA-N 427.490 2.241 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1501550069 FVZTVRLVWGYNEZ-KRWDZBQOSA-N 436.497 2.343 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(F)(F)F)CCO1 1503772702 NWILHQWYEGSMCX-HNNXBMFYSA-N 436.438 2.356 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2CCS(=O)(=O)CC2)c1 1507547831 NNOFBDRMPGCCHA-UHFFFAOYSA-N 443.573 2.283 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507623965 ZUVUXAYESHTWQP-PERKRYKHSA-N 448.564 2.465 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507628695 HZWVIRXXJBIARZ-SFHVURJKSA-N 447.580 2.441 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631181 BTTNYKIABJRVJZ-MSOLQXFVSA-N 446.598 2.201 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)c2ccco2)cc1 1507638119 OSCZBBHRLIDMCZ-UHFFFAOYSA-N 444.495 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)on1 1507657744 ZQPWAGUWQZOVQK-UHFFFAOYSA-N 443.555 2.060 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1507818024 UBDSUBGGTMLZGW-UHFFFAOYSA-N 437.548 2.367 30 10 IEEE C=C(C)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836410 JVJUIJNHVQGBAC-KSZLIROESA-N 432.569 2.146 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)C 1507845201 BJGKIZHIWCCVOB-IBGZPJMESA-N 429.521 2.344 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC2CCOCC2)CC1 1507856983 GXAXSZHSTWUDBA-KRWDZBQOSA-N 427.977 2.303 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC 1508001502 UKGAEJFLBHYJKP-UHFFFAOYSA-N 431.562 2.141 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1508017050 HRSIQRVOQWEMDN-NHCUHLMSSA-N 436.560 2.023 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1508092285 AXDAYGPCKISTGQ-OXJNMPFZSA-N 441.532 2.172 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1c(F)cccc1F)C1CC1 1508093079 AHAVKCHDLRQISY-UHFFFAOYSA-N 444.486 2.150 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nccn2C(F)F)C1 1508127671 MNLBNOJJMFWUPJ-ZOBUZTSGSA-N 438.479 2.423 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCC2)C1 1508128912 ZMBBHLWKOMFXGP-MSOLQXFVSA-N 438.594 2.168 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508167140 HVQCJSZJCCGMSZ-MRXNPFEDSA-N 448.618 2.294 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCCCCO)CC2)c1C#N 1511661916 HUWATCZYVMUFLP-UHFFFAOYSA-N 428.585 2.270 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1517126359 YQGOXBLKJVVUOF-SFHVURJKSA-N 449.540 2.427 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC[C@H]1C 1518635848 QFDANFKVTQGSPP-PMTGJVGFSA-N 441.532 2.130 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ccccc3S(=O)(=O)CC)cc2C1=O 1534508368 MBXUGFJFSRCQTR-UHFFFAOYSA-N 426.494 2.235 30 10 IEEE N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(I)c1 1535353052 LBGONQTYLBHJMG-TXEJJXNPSA-N 437.237 2.277 30 10 IEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539193363 AIXBRNLYIJMTQG-SFHVURJKSA-N 437.466 2.498 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539210646 FKJQYPAFODNMNJ-PMACEKPBSA-N 441.557 2.114 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539212831 YCQNDBPFCIGFDG-GGPKGHCWSA-N 428.558 2.387 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C1CC1)N(C)C 1539241950 KXAHDZROLJXLGH-GOSISDBHSA-N 429.366 2.459 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2CC2)CC1 1539452529 VFFSCLANMLZRPS-IBGZPJMESA-N 444.580 2.142 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1540072307 KNAXOSLXCDNLCY-MOPGFXCFSA-N 448.593 2.068 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540919388 PJZJOKSCRYQNOQ-QGZVFWFLSA-N 427.534 2.452 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCC#N)CC2CC2)CC1 1541002617 GTXKNLCAYZKSQN-UHFFFAOYSA-N 446.559 2.111 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1545894168 QRALMIGTPPOXBY-GOTSBHOMSA-N 441.580 2.337 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O 1554136678 CLNMUHXZUAJIKE-UHFFFAOYSA-N 426.565 2.382 30 10 IEEE COCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1555474359 MDHKCTBGHYZFON-UHFFFAOYSA-N 449.563 2.160 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)C2=O)cc1 1556457359 DISPZTWNDJLCLX-KRWDZBQOSA-N 436.424 2.159 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC(C)(C)Cc2ccc(C#N)cc2)[C@@H](C)O)cc1 1558454200 FXJFIJLYEMRECT-UZLBHIALSA-N 429.542 2.032 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1562197648 QRJUVMPTHPNJNH-UHFFFAOYSA-N 440.529 2.114 30 10 IEEE Cn1cc([C@@H]2CSCCCN2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 1564531881 ZWJOUWQHLNAYBD-PVAVHDDUSA-N 434.566 2.369 30 10 IEEE N#C[C@@H]1CN(C(=O)Cc2ccc(I)c(Br)c2)CCO1 1565582610 DIKVOVRAJLBWJL-SNVBAGLBSA-N 435.059 2.347 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)c1 1567543251 ZYCIQYUFXCLYGC-UHFFFAOYSA-N 437.443 2.258 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 1568071169 FCXXRLBNDCQZHM-INIZCTEOSA-N 448.545 2.495 30 10 IEEE CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1584665263 PXVKLMQGCDAAEN-UHFFFAOYSA-N 425.388 2.112 30 10 IEEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1587392896 WEYXUVJTVIAKKY-CYBMUJFWSA-N 449.392 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1587568239 OXIZLJMVFGGBQU-GAJHUEQPSA-N 435.532 2.326 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1593703182 FKTJLUPYIRMGFT-MRXNPFEDSA-N 448.474 2.353 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1594569078 XXDWGKXIBAGCAJ-QWHCGFSZSA-N 425.477 2.012 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595516841 KMXJTLFDOJLNSH-APWZRJJASA-N 444.967 2.058 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595659083 RTEWCKPFWIZJKH-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE CN(C)C(=O)COc1cccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1596529244 UHGDWJULWVDCOS-SFHVURJKSA-N 432.521 2.357 30 10 IEEE N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1597102656 LAKOWIGZAUGTQG-KRWDZBQOSA-N 440.481 2.456 30 10 IEEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)cc1O 1602767078 GWDQEQRQFRJKPK-INIZCTEOSA-N 447.232 2.182 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1612465064 HBVOFWZSLUKGQN-VFNWGFHPSA-N 435.532 2.335 30 10 IEEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1620038104 HURZXGASYUQQHC-JOCHJYFZSA-N 442.495 2.030 30 10 IEEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1622728778 GTIMDQIZXZQABB-DLBZAZTESA-N 441.575 2.115 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(-n3nnnc3C)cc2F)C1=O 1626597570 KYJBSZLYZISZDE-FQEVSTJZSA-N 431.472 2.426 30 10 IEEE NS(=O)(=O)c1ccc(OCCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 1629607327 RQCDRGBQTKRKPH-UHFFFAOYSA-N 426.416 2.290 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 1635088395 CWCMHOYWJJQWKV-AWEZNQCLSA-N 427.523 2.488 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)ccc1F 1635175051 PNHZBRCOSNTLBN-LJQANCHMSA-N 433.505 2.085 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3cccc(I)c3N)C2)nc1 1637928918 JGGIVEHOGVDZCX-LBPRGKRZSA-N 434.237 2.434 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 1638637909 HDBUGHMYGXMKGY-UPRAQXHNSA-N 433.917 2.213 30 10 IEEE COCC1(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCCCC1 1643964056 NBAHIOXJKZPLBU-UHFFFAOYSA-N 427.505 2.394 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@H]2NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 1647793208 JFHIWMGQKYTWSS-MDNUFGMLSA-N 438.551 2.269 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1648734686 VPFZHQDTDVKLPJ-LPHOPBHVSA-N 431.338 2.382 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)c1 1651177862 FNGDSISIFCSGPB-OAQYLSRUSA-N 438.484 2.248 30 10 IEEE C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1655599216 MXNCZHRKPPYQOR-RLLQIKCJSA-N 445.608 2.485 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cn2ccc(C#N)cc2=O)c1 1656738356 FDBJHZXENZNADL-UHFFFAOYSA-N 446.529 2.176 30 10 IEEE COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC[C@@H](O)CC1(C#N)CCOCC1 1660042446 MPPHBMBFVHFDOO-DOTOQJQBSA-N 430.423 2.330 30 10 IEEE COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)c1c(C)cc(F)cc1C#N 1661004280 CNSIBRMHPHCQTK-UHFFFAOYSA-N 436.461 2.387 30 10 IEEE Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)ccc1C#N 1661962879 GGBCBEZGOCPHTP-SJORKVTESA-N 445.463 2.103 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C2CC2)C1=O 1689948916 KIAOITPTNNFBOU-LJQANCHMSA-N 431.338 2.126 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCn1cc(Br)cn1 1690024037 PSFMRVIXOSGTOP-UHFFFAOYSA-N 444.362 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1690039899 WDUYGDAJLUJVBR-OAQYLSRUSA-N 434.588 2.443 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccsc2)C1 1690684954 SHDVWNSQLRUYGP-UTKZUKDTSA-N 431.562 2.265 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1690712563 YNSKWEOUZUZWGE-SLFFLAALSA-N 432.496 2.317 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CC(=O)NC(C)C)n1 1693434464 ZXTFLVUWZUEYNH-RTWAWAEBSA-N 446.559 2.408 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@@H](C)O1 1693827613 AIAGORYZASKGGN-JKSBSHDWSA-N 427.505 2.148 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCCCS(C)(=O)=O 1694735518 PHGGTJMWEJTQCA-UHFFFAOYSA-N 448.568 2.393 30 10 IEEE COCCCN(C)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1697988891 NNGKUJIMKQDEIH-RTWAWAEBSA-N 446.559 2.447 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1705625735 UVPPQJDNICCDCA-SFHVURJKSA-N 425.508 2.429 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705701275 FVJCMVARSDSGHD-KNKQGSTJSA-N 444.624 2.247 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705884431 OUIJEAGRZKISRN-DLBZAZTESA-N 447.502 2.422 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705891919 GCZSQUPCZGQGDO-HXUWFJFHSA-N 437.573 2.168 30 10 IEEE C=CCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705893761 SGIIXFLEIDCYJZ-GCJKJVERSA-N 427.553 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC=C)C1 1705920694 CMYSTVLMFGBWLP-LJQANCHMSA-N 427.530 2.199 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1706068500 LQONFNPXFDPGNM-WMZOPIPTSA-N 447.561 2.140 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1706743903 HEUQBGQGESLIMO-INIZCTEOSA-N 442.487 2.293 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1Cc1ccc(C#N)o1 1708534739 IDEVSWSPUBXGQQ-QGZVFWFLSA-N 427.553 2.295 30 10 IEEE CCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1708879097 GHIYJSHMGAOMRE-QGZVFWFLSA-N 444.561 2.114 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 1709334958 CDBSTSNFLFONMX-KVSKMBFKSA-N 429.546 2.255 30 10 IEEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1712310113 FGRSRSKGIVGHLY-UHFFFAOYSA-N 440.548 2.350 30 10 IEEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CCN(C)CC1 1712756763 ICUKBUXJVAWTNK-KRWDZBQOSA-N 431.610 2.187 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722338420 HSNIMDDCJMFQBF-NRFANRHFSA-N 441.601 2.481 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722361226 FYZQVJFUTALFJV-CVEARBPZSA-N 437.953 2.045 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@@H]1C 1722400204 JQRWEUUUGJVRCA-NRFANRHFSA-N 446.603 2.399 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1722492802 VEQLWWNDDCQIRB-JYJNAYRXSA-N 443.639 2.201 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCNC(=O)C(C)C 1722507476 FTLLYVWZIZOFOQ-FPOVZHCZSA-N 426.565 2.454 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722863506 KMCTUARAQFBGTI-CPUCHLNUSA-N 443.483 2.141 30 10 IEEE C[C@](O)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1723972614 HWLUYTQPDFTWNT-VFNWGFHPSA-N 427.436 2.226 30 10 IEEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1727302536 BJPUTOQAEICPEE-OAQYLSRUSA-N 428.562 2.479 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1729374698 AYFUIIZPDPNTEA-XMMPIXPASA-N 449.559 2.179 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)c1 1730016245 HBJVVKNWNMZOEE-UXHICEINSA-N 433.509 2.272 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740544108 CPTQHMUKQAQTOJ-IBGZPJMESA-N 432.576 2.327 30 10 IEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1740578858 MSMZJTMDRMWRHE-KRWDZBQOSA-N 430.553 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC(C)C)N(C)C 1740638869 PNQPAUSQGJEEMF-LJQANCHMSA-N 445.571 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)CN1CCOCC1 1740648419 KURUUCWQSVAGKV-SFHVURJKSA-N 426.952 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1740649257 PQZYXERAZNKQPN-PMACEKPBSA-N 432.528 2.271 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCCS2(=O)=O)CC1 1740833526 RWJXZAOOPMWXCP-SJLPKXTDSA-N 426.583 2.372 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1740876039 NBQSKNSRUHDVME-CVEARBPZSA-N 439.582 2.250 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740961911 MADXXXXDITZMON-LJQANCHMSA-N 449.559 2.427 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC)C1 1740982979 ZDJTXSBCHKWVAI-ZWKOTPCHSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740992068 MFBHTXCAOAGGGK-FIKGOQFSSA-N 440.610 2.240 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCc1ccco1 1741190957 RAWYPTCFBCUQHZ-UHFFFAOYSA-N 449.515 2.311 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCO)c2ccccc2c1=O 1746471892 OKCQPCMWIGSEBM-JOCHJYFZSA-N 439.495 2.279 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748802398 PIHCLCIAUJMQTL-IBGZPJMESA-N 435.638 2.324 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748814240 BQMNWCGVLSYSIL-NZQKXSOJSA-N 442.585 2.470 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748930764 XUQMCGUULWGOHY-LJQANCHMSA-N 431.544 2.392 30 10 IEEE C=C(Br)Cn1c(N2CC[C@H](OCCOC)C2)nnc1[C@]1(OCC)CCOC1 1749113241 WGQZBLXABRBPGI-YJBOKZPZSA-N 445.358 2.081 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)NC)CC1 1749116017 YOCAOJCJSOPTIF-HKUYNNGSSA-N 446.596 2.140 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1749508493 SEGSLDUGMINRBJ-DYESRHJHSA-N 438.594 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(C)C 1749652446 OCCDNGNODLFFPV-UHFFFAOYSA-N 447.609 2.331 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1750084060 JRCVUJGLAWNRRD-OALUTQOASA-N 441.488 2.374 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1750388688 RGCBJTUAMZJJNB-QGZVFWFLSA-N 426.477 2.437 30 10 IEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1751933705 CHMONWGNWITMJP-HSZRJFAPSA-N 437.592 2.137 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC(F)F 1760168332 XWUNQJPHZPWUEU-UHFFFAOYSA-N 442.264 2.167 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCS1(=O)=O 1760195353 CGSNHPWPQKUEEJ-LJQANCHMSA-N 448.552 2.375 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC(F)F)c1 1760207098 XQOXRCXJTPIXFP-UHFFFAOYSA-N 443.454 2.132 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1760252108 LVARWSWWMPQNTN-PMACEKPBSA-N 442.608 2.111 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](OC)C(CC)CC)CC1 1760252552 RODXQAZMGCNIBE-FQEVSTJZSA-N 430.597 2.111 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760356827 XTQMQUCOEPITML-IRXDYDNUSA-N 448.568 2.173 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760361514 ZOQYBBFAPDEZQT-SJLPKXTDSA-N 431.541 2.297 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](COC)C1)c1ccccc1 1760362100 ASMLUWATRBAZHR-QZTJIDSGSA-N 433.578 2.465 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760511490 MHOZWQXORBEINI-UHFFFAOYSA-N 439.470 2.154 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1760523890 KHSCMOKSTBTXBD-JJCDCTGGSA-N 431.562 2.196 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760562777 VOBXBCZWUPXGIH-LJQANCHMSA-N 427.622 2.476 30 10 IEEE CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1761245513 DJPDSDMRBKKRQP-UHFFFAOYSA-N 437.548 2.372 30 10 IEEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N)OC 1769236373 YIDXENWHGIDCJW-JSGCOSHPSA-N 425.331 2.303 30 10 IEEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)ccc1Cl 1769854838 DDVZZODLCZKXGG-ZFWWWQNUSA-N 437.953 2.486 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCCC1 1771099807 BCTARIKVSKTOPC-IBGZPJMESA-N 438.532 2.059 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1771167780 DAHVOYCIJXFTGG-VGOFRKELSA-N 429.521 2.316 30 10 IEEE N#CC1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1771535660 UYIKDWYJTUQABE-LJQANCHMSA-N 445.518 2.360 30 10 IEEE CS(=O)(=O)N(C1CC1)C1CCN(C(=O)C2CCN(c3ccccc3C#N)CC2)CC1 1852413705 RUWYFXAQIXCRCY-UHFFFAOYSA-N 430.574 2.190 30 10 IEEE CC(=O)N1CCN(CC(=O)Nc2c(-c3ccc(Cl)cc3)cnc3c(C#N)cnn23)CC1 1852613480 FLACSOYTFDGGIW-UHFFFAOYSA-N 437.891 2.024 30 10 IEEE C#CCSCCNC(=O)[C@H]1CSC2(CCN(Cc3ccccc3)CC2)N1C(C)=O 1852954492 ZKSXJSZVOYVISM-HXUWFJFHSA-N 431.627 2.425 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)Cc3c(F)cccc3Cl)C2=O)C1 1857111949 NPDGAFVJFOEMJS-SFHVURJKSA-N 428.851 2.179 30 10 IEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 1860750283 OWIOBIHEKQAZFM-UHFFFAOYSA-N 448.526 2.319 30 10 IEEE C=CCNC(=O)[C@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861514586 GGNBQQGBMMOOEX-NRFANRHFSA-N 449.507 2.345 30 10 IEEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868775090 YYMJQKYMEACDPZ-SFHVURJKSA-N 432.590 2.150 30 10 IEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN(CC)CCc1ccncc1 1870576280 UQBPWIFJGMFUNH-UHFFFAOYSA-N 426.546 2.337 30 10 IEEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873591751 QDHPBZWLJYVRJV-UHFFFAOYSA-N 438.507 2.459 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874280583 VLQGABFROHNJBS-UGVMZYNRSA-N 431.518 2.057 30 10 IEEE CN(CC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1)Cc1ccccc1 1889438828 JIUQLPFYQCRXNG-BJKOFHAPSA-N 448.592 2.481 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 1890100631 MPFTWXYLPAZNHN-UHFFFAOYSA-N 427.545 2.066 30 10 IEEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891509016 VDTRPIBWCDMATM-UHFFFAOYSA-N 445.479 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C#N)(Cc2ncc(I)cn2)C1 1905202820 KRHRAWIPXPXJJK-HNNXBMFYSA-N 430.246 2.153 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085657437 UJBRTFFSXHRFIS-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE C#C[C@H]1COCCN1C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2215643124 NFGOKJUZITXFHU-FQEVSTJZSA-N 427.545 2.407 30 10 IEEE CC(=O)N[C@H](CS)C(=O)Nc1ccc(Br)cc1I 2223683766 LIYZIDZZFBOSAR-SNVBAGLBSA-N 443.104 2.427 30 10 IEEE CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 2224075170 YKDSPGXYAUXQGW-QGZVFWFLSA-N 432.374 2.026 30 10 IEEE C=CC1(NC(=O)[C@@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2242690728 GPOXGHSOAMUWRE-CABCVRRESA-N 425.526 2.039 30 10 IEEE Cc1nc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247905931 KYTFWKAIRQUZNG-UHFFFAOYSA-N 437.371 2.442 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@]2(CCCOC2)C1 2255593827 DYYJQTVPAWCTDO-KSFYIVLOSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255618791 JVEPUPDKPJVLFD-NRFANRHFSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638239 MEKAYRFASDOCLH-GZBFAFLISA-N 449.382 2.428 30 10 IEEE Cc1nc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255640972 NIVFUVGMKAVJGJ-ZSEKCTLFSA-N 449.382 2.490 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255676375 PUVVNOATEDUNCI-HOCLYGCPSA-N 433.358 2.450 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843958 OIMSBFOUADLYIF-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2255875239 VASXQBLJAFDABK-UHFFFAOYSA-N 432.326 2.009 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256620763 MMVZJXOMRWFUSV-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@]2(C)CCOCc2ccccc2)n1 2267104998 FVTIDXMQEQHPNX-QHCPKHFHSA-N 440.353 2.326 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267134818 VCHLYIIDGPCWMW-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267139685 JTWUWRSQORBKCF-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE C[C@@H]1C[C@H](N(C)C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267187020 RTPBAEALWCOLNY-MJGOQNOKSA-N 438.381 2.454 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2267232757 WLFGBFAGAVNLMH-INIZCTEOSA-N 448.369 2.252 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 2267237766 TWQQLVFLGHAPRT-INIZCTEOSA-N 448.369 2.252 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2267499128 ZPVWIPMLIVFKAQ-HZPDHXFCSA-N 448.325 2.039 30 10 IEEE Cc1nn(C)c(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2267513662 QAIOJDNRNDKKRT-UUOWRZLLSA-N 436.365 2.032 30 10 IEEE CCCN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2267548775 IIFGZYFDLRPCFW-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267555192 KUKWUSSOKVQSQI-LALPHHSUSA-N 444.259 2.496 30 10 IEEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@H]1COC2(COC2)C1 2286290000 OGZYUBISEBMHDQ-CYBMUJFWSA-N 425.132 2.137 30 10 IEEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1 2296576835 LZATXVLIHHAUMT-JOCHJYFZSA-N 449.507 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315646495 UUVJKVZLNJFMOV-GZBFAFLISA-N 449.382 2.428 30 10 IEEE Cn1c(NN=Cc2cccc(O)c2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 2328609067 ZUGZAFKSJLVKPG-UHFFFAOYSA-N 438.875 2.287 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337205073 UJWIUXOIGGEMIR-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2337291918 LLURZZFCOHBSSM-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C=CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2c(OC)ccc(OC)c21 13791595 WCHCSFYAGLPFRD-UUPHZHHOSA-N 439.559 2.005 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)cc2C1=O 14942560 VSHUEHHOPQYEDO-UHFFFAOYSA-N 427.482 2.408 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)cc1 20292948 BINHYCRFIBVEDB-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 410076396 YUPRWSPHAGGZOB-KRWDZBQOSA-N 438.933 2.494 30 10 IEEE COC(=O)c1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c(OC)c1 438430462 NKBGDFSTBLGVSO-UHFFFAOYSA-N 425.445 2.111 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCO1 478748702 SZVWOKUXVYYGNK-MRXNPFEDSA-N 441.553 2.001 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)Cc1nsc(N(C)C)n1 506930458 OKQBFSGWCASSGO-UHFFFAOYSA-N 438.510 2.074 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 518925715 AUQMFWMKEFNDTR-QGZVFWFLSA-N 441.419 2.152 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)s1 534602615 UPHHWXOQYHMNGX-OAHLLOKOSA-N 444.578 2.421 30 10 IEEE CCOc1cccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cccc(C#N)c3)c2=O)n1 541294264 NGRXYJXXAUNPLJ-UHFFFAOYSA-N 431.517 2.212 30 10 IEEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)cc3c2OCC3)c1=O 547316090 JJZBLILTORGYOV-UHFFFAOYSA-N 445.338 2.016 30 10 IEEE CN(C)CC1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 553120453 QZERTHTZRPTALV-UHFFFAOYSA-N 431.968 2.097 30 10 IEEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C[C@@H](C)O1 556326422 HCGHYEVGCUFQRO-SCTDSRPQSA-N 449.511 2.185 30 10 IEEE CN(C)S(=O)(=O)C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(F)(F)F 560730189 BZLCSSPGQQLOJZ-HNNXBMFYSA-N 442.419 2.298 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)CC1 583584631 UQTOTMDXKYMITO-HXUWFJFHSA-N 427.593 2.190 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](C(=O)OC)c2ccccc2)nc1C 586303693 NHUBLUMLUBQXAZ-GUNSETOZSA-N 436.511 2.396 30 10 IEEE COc1cc(OC)c2ncc(C#N)c(N3CCN(c4cc(C)nc5ncnn45)CC3)c2c1 587146626 CQLIAJUENSYOKG-UHFFFAOYSA-N 430.472 2.196 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609515488 BDWXHCRIVCFDOG-GOSISDBHSA-N 437.456 2.403 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611673917 MHVYKUVXQJDRBT-FQEVSTJZSA-N 433.555 2.238 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC(F)F)cc1 727416065 FYTONKFHBPJDID-UHFFFAOYSA-N 445.447 2.123 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O 730142996 QYWHNQCCYMYHGT-MRXNPFEDSA-N 431.587 2.385 30 10 IEEE N#C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCN1C1CC1 732652213 RADOFVDDIZAAFV-NRFANRHFSA-N 444.601 2.383 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 742193744 MGTCEBYBYFTZIG-UHFFFAOYSA-N 430.505 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@@H](C#N)C1 754383257 GIPZKQKOMCCDKK-LSDHHAIUSA-N 434.443 2.289 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 760787930 DRCVNGJNJQGSLS-UHFFFAOYSA-N 434.474 2.021 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cc(C)ccc1S(N)(=O)=O 767706814 FCWHPIIPZCGJHA-HNNXBMFYSA-N 445.497 2.143 30 10 IEEE CC1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)[C@H]1C#N 769891527 DJXGCOKONVGTRO-ZYEUVFMNSA-N 430.574 2.145 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C3(C#N)CC3)cc2)s1 787019383 KNKPHJVTNZHGND-UHFFFAOYSA-N 433.511 2.320 30 10 IEEE COc1cc(C)nc(C=Nn2c(-c3cnnn3C)csc2=NCCc2ccccn2)c1 794853599 XJMJLLCNECKAPR-UHFFFAOYSA-N 434.529 2.478 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c1 799770507 AIJWMNCSXXVDRJ-IBGZPJMESA-N 437.521 2.163 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)C1 800775634 QAJPFHSRZHPKOQ-UHFFFAOYSA-N 426.521 2.195 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1C#N 803246773 UJELXYJFZMBGMB-INIZCTEOSA-N 426.904 2.479 30 10 IEEE CN(C(=O)c1ccncc1)c1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 804156542 SPCYPDXBPCFBGK-UHFFFAOYSA-N 445.454 2.302 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 809889924 PCAMFIGEUBCDDH-ZACQAIPSSA-N 437.541 2.013 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)OCCO4)n2C[C@@H]2CCCO2)cc1 812306541 UWZBBZDOEYSYRU-IBGZPJMESA-N 425.489 2.251 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCc3cccnc3C#N)CC2)c1 813167842 WDUVSLJXUHNZAG-UHFFFAOYSA-N 427.482 2.300 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)N[C@H](CCCC#N)c3ccccc3)cnc21 817320010 VPVBKFTXHBJXFB-CQSZACIVSA-N 443.305 2.444 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 920643373 FHKZJIIIHWUVMM-DBWCEAHUSA-N 446.529 2.214 30 10 IEEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1124607407 MVBHYAIVBPZXTN-CTNGQTDRSA-N 440.452 2.109 30 10 IEEE C#CCN1CCC(C(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)CC1 1131058891 DZTSWLIPOUVVKQ-UHFFFAOYSA-N 433.350 2.011 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cccc(NC(=O)c2ccccc2)c1)c1cc[nH]n1 1137569707 COIPTUGRVPDFGF-UHFFFAOYSA-N 449.467 2.262 30 10 IEEE CN1CCC[C@@](O)(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 1144758690 LBBDPPWWNPEAGQ-UYAOXDASSA-N 435.366 2.005 30 10 IEEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CCO2)O1 1154203859 VZRUCPQOWRPXFS-HOTGVXAUSA-N 425.279 2.078 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)c1 1162310662 AGQKGWDQFFDCEQ-KRWDZBQOSA-N 441.550 2.362 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1cc[nH]n1 1163001806 FFZBXFBKOPHFEF-UHFFFAOYSA-N 449.467 2.262 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 1195738812 SKGUWQRQOHAUNC-HNNXBMFYSA-N 429.336 2.461 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1248552780 LIAFMGRDHFRFPG-SFHVURJKSA-N 443.552 2.361 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c(=O)nc1O 1253910928 KACKEEFGOLFFLJ-INIZCTEOSA-N 426.864 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1286419765 FBQUQBUSLVSZTR-HNNXBMFYSA-N 449.964 2.062 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2c(C)noc2C)n1 1286471661 QFIZZLDGAOWSQD-UHFFFAOYSA-N 434.504 2.409 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1286505174 VXSUIZLNOJBTLK-SJLPKXTDSA-N 442.564 2.450 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286536501 PQXQIIDFFOGSLD-RLFYNMQTSA-N 445.358 2.295 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286594331 LTFVSFKUIHQMIR-LJQANCHMSA-N 437.592 2.409 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286689052 IBVBXEQTWAYNJE-GOSISDBHSA-N 428.562 2.496 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1286762869 OIXCWGONMMTDIJ-UHFFFAOYSA-N 449.577 2.069 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)CC)C1 1286802119 OBRPBSFJUIVCRY-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286820027 CCUSKSXMRCSVQX-GOSISDBHSA-N 448.593 2.323 30 10 IEEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H](C)C[C@H]1C 1289762486 PAYUYOGFLYBPFB-PASDCYSWSA-N 435.546 2.317 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)N2CCOCC2)c1 1299935836 HQBNAVWPPBYHQT-KRWDZBQOSA-N 440.548 2.423 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300476103 FRXYNGAQKTZYAV-GOSISDBHSA-N 427.574 2.443 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 1300496131 OMLDGDFRKAPNSR-FQEVSTJZSA-N 428.558 2.182 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccccc1Cl 1300649636 ODKXYLQNFVGTEA-NRFANRHFSA-N 433.940 2.063 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC2)CC1 1300689185 RSUHDAAQQZKRBK-MRXNPFEDSA-N 430.350 2.499 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300807673 CYYJGOVAXSZRJA-XMSQKQJNSA-N 445.564 2.282 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2F)C1 1301536156 RXKWUSPVJGPAQV-SFHVURJKSA-N 429.496 2.491 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301618417 RRWAHZWYXKEBIL-UHFFFAOYSA-N 448.637 2.103 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(F)(F)F)c1 1302985822 BXKNGJDOHLMBGI-UHFFFAOYSA-N 447.465 2.123 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H](C)CN2CCOCC2)cs1 1304664285 OBSWAXFQHTYBKQ-MRXNPFEDSA-N 429.594 2.342 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1305327954 NYJKYAMFDCYRSB-GAJHUEQPSA-N 449.563 2.069 30 10 IEEE CCO[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1314058258 CQEOIPVVVONKNB-OALUTQOASA-N 430.553 2.228 30 10 IEEE COc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1315565388 BYTGOQWYBJBPFV-AHRHJZQMSA-N 440.479 2.274 30 10 IEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)CCOCC1 1315843490 ARNHGCNCHFOAHF-BGYRXZFFSA-N 441.532 2.110 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCCN(C)C)c1 1358869969 BQPSUNDPCUGCKU-SFHVURJKSA-N 447.543 2.372 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1358955045 CRRNPVVXVPYYEH-LSDHHAIUSA-N 428.649 2.051 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C(C)C 1358987410 FQHUFAMHRTYFHQ-HXUWFJFHSA-N 428.558 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H](C)C1 1358989248 VCLAVWLIMWVDRF-HXUWFJFHSA-N 443.559 2.116 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1359041802 IWWMUFYHDQICTL-XMMPIXPASA-N 437.544 2.489 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)CCS(C)(=O)=O 1359060235 OHSMGIGMCPVFKU-UHFFFAOYSA-N 431.587 2.128 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359136740 UCSZKIGKUZICQG-HSZRJFAPSA-N 441.532 2.175 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359156385 DEOFNHHIDQZBJI-OXJNMPFZSA-N 426.945 2.457 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1359304861 LWWUTTJPPSABOZ-KRWDZBQOSA-N 437.903 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1359333067 NKGZUEPIMJXZOU-AZUAARDMSA-N 446.573 2.431 30 10 IEEE CC(C)OCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1360390076 DKFJWHNSTOBMJO-IBGZPJMESA-N 425.537 2.190 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](c3ccc(Cl)c(F)c3)c3nn[nH]n3)CC2=O)cc1 1447439202 ASIPLGGMUPDIEG-UGSOOPFHSA-N 439.838 2.123 30 10 IEEE Cc1cc(CN(C(=O)C#Cc2ccc3c(c2)OCO3)C2CC2)cc(S(N)(=O)=O)c1C 1452800925 HUTIKPUEOCATKV-UHFFFAOYSA-N 426.494 2.222 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1ccc(Br)cn1 1459468767 OZSAVZUIDKMDSA-UHFFFAOYSA-N 441.285 2.014 30 10 IEEE CCCOc1nc2ccccc2cc1/C=C\C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1462989521 QLIJCQFVTGEZRP-PLVIEQCCSA-N 425.510 2.434 30 10 IEEE C#CCCN1CCC(NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1465397024 XUKGQTCDXZVCMZ-GOSISDBHSA-N 430.553 2.068 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC 1469877751 UCWGBDRRIWCDOS-UHFFFAOYSA-N 428.489 2.058 30 10 IEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C1 1493275176 HCNNIEBFENCKOB-RTBURBONSA-N 435.576 2.463 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NCCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507598465 FZKQVLJKRDQBHU-CVDCTZTESA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507633289 RRGDEONCVXCKMF-RLLQIKCJSA-N 428.558 2.212 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507633950 VSTASKOWMJMCJV-LJQANCHMSA-N 428.558 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC1CC1 1507648049 JIHBZIGIKSPVHT-UHFFFAOYSA-N 448.552 2.028 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(CC)s2)CC1 1507719272 MGUPYHQTJZWVIE-QFIPXVFZSA-N 429.590 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1507797467 LQXBEXTXBOGTGP-LRQRDZAKSA-N 441.532 2.344 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1507842678 CIUHGBTUNIJPSE-QGZVFWFLSA-N 445.955 2.197 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1507863344 CXSOWIHXEHHKKD-KRWDZBQOSA-N 444.923 2.441 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507964534 BWVODOYYHLQGQM-RTBURBONSA-N 439.472 2.436 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](C)Oc3ccccc3F)CC2)c1C#N 1511661876 HGFDGLQCOLXOMA-HNNXBMFYSA-N 438.511 2.433 30 10 IEEE CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1515050338 HAIUYNYTLNRNTJ-MOPGFXCFSA-N 437.548 2.076 30 10 IEEE CCCNC(=O)Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1515124077 DYRWSHMWWNYJST-HRCADAONSA-N 433.557 2.313 30 10 IEEE CCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1516734181 BGXDJECGVSKQKY-QGZVFWFLSA-N 433.520 2.062 30 10 IEEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1519018604 FCCIKCDDOAPVCF-UXHICEINSA-N 438.532 2.495 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1538978000 ZJXSNWVUCRCNJM-MBSDFSHPSA-N 431.581 2.425 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1539203068 NFIRKGUKBHHRRJ-OAQYLSRUSA-N 441.601 2.087 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539215492 DFZLLBWOWCIAGX-BJLQDIEVSA-N 443.573 2.090 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1539238307 VLARZDFDIXAZOP-HUVFLSCGSA-N 442.560 2.120 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn2ccccc12 1539421728 WMTCLFOFIXAQAJ-UHFFFAOYSA-N 449.540 2.052 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1539612521 MVYQQUQFSXHKMJ-FUHWJXTLSA-N 426.521 2.061 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539633197 XDIPETJXSCDSDD-ILOCAZANSA-N 426.583 2.021 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1539636723 LXJCJCRFECQLHY-YLJYHZDGSA-N 433.578 2.116 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CCC)C(=O)C1 1539743967 AUIZZLDTEQCFHN-UHFFFAOYSA-N 444.536 2.047 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1539968154 XDGVQCLQFXCZED-ZWKOTPCHSA-N 437.610 2.422 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1540875525 ONUKAPIRLWWPOP-UHFFFAOYSA-N 441.511 2.285 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](CC)C1 1540875596 QTQUVAXWSIUFDQ-IRXDYDNUSA-N 429.521 2.172 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540875780 XWFMSMLPYFLBPU-LPHOPBHVSA-N 429.521 2.029 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(c2ccncc2)CC1 1541806079 DHIZSFKTNYGFEN-GOSISDBHSA-N 436.564 2.450 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)COCC 1548170545 AFWJXSXWITXAKM-UHFFFAOYSA-N 427.553 2.471 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCNC(C)=O 1555730513 IGEQWNHDPRJTPL-PMACEKPBSA-N 426.521 2.036 30 10 IEEE C=CCOc1ccc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1OC 1557124935 OXMWHZGBVXLWQE-UHFFFAOYSA-N 444.553 2.420 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc(C)c(CCC(=O)OCC)c(O)n2)c1 1559459091 IERFMLROXVBTGJ-UHFFFAOYSA-N 442.497 2.408 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN[C@H](CO)c1ccccc1I 1560211769 SHAOOYJIUGJLCR-WMLDXEAASA-N 438.265 2.226 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CC1 1561505187 AVUFRZXDEYQWPF-GOSISDBHSA-N 439.375 2.098 30 10 IEEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCN(c2ccccc2C#N)CC1 1565167302 SNNGWRNOWIWZII-QFIPXVFZSA-N 449.555 2.200 30 10 IEEE C[C@@H]1CCCN(C(=O)CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1565481024 FFUGRICPZTUABF-GOSISDBHSA-N 449.559 2.429 30 10 IEEE CC(C)(CCN1CCOCC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1585292416 JPLBANNHRJNNRM-UHFFFAOYSA-N 435.366 2.374 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC#N)c3ccccn3)c2)CC1 1586334107 OZTNWESDNKCREV-UHFFFAOYSA-N 447.948 2.232 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(O)CCO[C@@H]2C)c1 1587692478 FQNMAHYPKMKKCT-HXOBKFHXSA-N 425.533 2.073 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCOCC(F)F)c1 1587693391 RXTDFLLTLIQRIH-INIZCTEOSA-N 433.459 2.120 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587718572 IUZPGDXWZCXCKV-LJQANCHMSA-N 436.516 2.230 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC(=O)N1CCOCC1 1587915824 SVNOWTAJMRIPQP-IBGZPJMESA-N 425.533 2.353 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccsc2n1 1587932584 WIWAHOFFPWCRIM-UHFFFAOYSA-N 426.527 2.176 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1588696535 MDMYXPRHOQBNKA-LJQANCHMSA-N 443.523 2.341 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2sc(C)nc2C)CC1 1588749864 AMBSTOOPXHRJJG-JOCHJYFZSA-N 444.605 2.001 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 1588765980 OYQIBAAFUJMKMC-ROUUACIJSA-N 448.585 2.352 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(F)c(Cl)c2)CC1 1588805719 AUAVOHVTCUCYEY-UHFFFAOYSA-N 441.898 2.362 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1594867894 QSPOWKXVZNESTH-APWZRJJASA-N 447.502 2.206 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CC 1595537289 PGUVSSLUWCHCRP-INIZCTEOSA-N 435.532 2.356 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1596607095 NQBZDDOLQNTPEI-KRWDZBQOSA-N 433.505 2.478 30 10 IEEE C#CCN1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1596609603 AUVOYPWHSICAMC-HXUWFJFHSA-N 445.361 2.191 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1612917708 OFVDJIJODDYSRW-DENIHFKCSA-N 437.592 2.314 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1618527138 AOQORUBUWNZQFU-QFIPXVFZSA-N 432.569 2.221 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)C1=O 1618559971 FWDABEGBFQMMOB-IBGZPJMESA-N 442.513 2.097 30 10 IEEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1622728780 GTIMDQIZXZQABB-IRXDYDNUSA-N 441.575 2.115 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)C1 1623239769 HDLNNDLNDTWQLN-UHFFFAOYSA-N 433.484 2.497 30 10 IEEE CN(C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1624580634 AKZYJFLAPOVDJB-WMZOPIPTSA-N 433.530 2.038 30 10 IEEE CC(C)N1CCN(CCCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 1629709054 BGSHFKYMVNZFFY-UHFFFAOYSA-N 437.592 2.181 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC[C@H](N(C)c3cccc(C#N)c3)C1)C2=O 1640218438 GCNULPJXPMIUQP-NPGKMWDHSA-N 437.544 2.342 30 10 IEEE C[C@]1(C#N)CCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1641104135 MIZSHNVPBYYCGO-HTAPYJJXSA-N 439.541 2.485 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(N4CCOCC4)CC3)C2)C1 1641591115 JPZVDNUUDWPSIT-FRIYVGAWSA-N 432.565 2.096 30 10 IEEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)c(C)c12 1641881134 FPCREWUSIOKMRI-KRWDZBQOSA-N 433.516 2.181 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1)c1cc[nH]n1 1642299950 PVQHRSUPZTZVDV-PKOBYXMFSA-N 436.896 2.221 30 10 IEEE CCOC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1644617368 CTBOLFAYRZIDAH-GOSISDBHSA-N 440.529 2.128 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](N3CCn4ncc(I)c4C3)C2=O)cc1 1648415457 JLKOJZJITPKWMQ-MRXNPFEDSA-N 447.280 2.371 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)O1 1649588196 DFIKHZDBYISXJU-SFYKDHMMSA-N 438.532 2.116 30 10 IEEE CS(=O)(=O)c1ccc(N2CCC(Nc3ccccc3C#N)CC2)c(S(C)(=O)=O)c1 1652088494 UZDUNJVITRQSKA-UHFFFAOYSA-N 433.555 2.446 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1654211219 JBKCXNOEPWBNKI-NRFANRHFSA-N 432.609 2.123 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1654984628 PRWBKXQHAGNYOQ-KKSFZXQISA-N 444.557 2.237 30 10 IEEE C=C[C@H](C(=O)OC)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1655146614 HHIOZJQBXXTEKK-FUHWJXTLSA-N 433.553 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1662043464 ICWXMSKSMFUESZ-MSOLQXFVSA-N 436.534 2.036 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C(=O)OC 1664365899 GRMHSYMHEPMRDP-GFCCVEGCSA-N 429.317 2.416 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 1669570718 AEPJPYHYVUPEHR-UHFFFAOYSA-N 446.558 2.153 30 10 IEEE Cn1cc(Br)c(=O)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1670623898 DUUSCJVEDNXZGW-CMPLNLGQSA-N 440.298 2.028 30 10 IEEE CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1671577711 WYOKJDQSNQRGNO-MRXNPFEDSA-N 443.305 2.448 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCn3ncc(I)c3C1)C2 1675449878 HBPHYCJMKXLCHO-AWEZNQCLSA-N 433.253 2.052 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 1681597648 BBQRRXQBZGGVII-SLFFLAALSA-N 436.597 2.435 30 10 IEEE C#CC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1685764253 PBHVLJXVFONICY-HKUYNNGSSA-N 426.517 2.270 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)C1 1687592989 FQHKZWUIOYVYDQ-QAPCUYQASA-N 426.330 2.136 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1689893156 VQEPAUXJTDIBPV-RTWAWAEBSA-N 442.585 2.432 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1689993576 HFDURJGYHKORKK-HXUWFJFHSA-N 442.585 2.499 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1690003587 RHVNFWGEQQXXGL-XMMPIXPASA-N 449.511 2.008 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccncc1Cl 1690101313 WQGCMXPQIHRXIH-UHFFFAOYSA-N 428.880 2.189 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](CC(C)C)N(C)C)CC1 1690142551 QELSSFQCOJTTQU-NRFANRHFSA-N 437.592 2.282 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccnc2OCC(F)F)CC1 1690144003 JALKNAGAADMURN-UHFFFAOYSA-N 444.486 2.209 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1690206103 HQJZJFKWNSRMEI-SXWKCWPCSA-N 442.585 2.430 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1690325695 FQUDLULEABHUAS-UHFFFAOYSA-N 433.578 2.436 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690481465 GLRBTZBLCRKOPT-CQSZACIVSA-N 428.459 2.090 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC)C1 1690499852 CHGJAZMDEXJSSO-OAHLLOKOSA-N 440.342 2.480 30 10 IEEE Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1693089183 OTZLYIAEQGJJTF-NRFANRHFSA-N 437.435 2.351 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)C1 1695975537 HXGLPRPVXBFKHK-RBUKOAKNSA-N 442.520 2.193 30 10 IEEE COC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697095091 FOBRETQWSDXYAO-KRWDZBQOSA-N 447.547 2.066 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCCC1 1697237650 HXAADSKUKINNLU-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1705493044 BJXFHOLSFZQTNO-CEWLAPEOSA-N 436.560 2.069 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(F)cc2)CC1 1705650450 QZEWBJWMCYDRIL-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1705701438 GNJXXZGNZLVNRE-RXVVDRJESA-N 442.539 2.451 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705761217 DXYDJEFFUPTVFN-LJQANCHMSA-N 439.564 2.439 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705830635 UPABYIOUQMNMNS-UHFFFAOYSA-N 441.580 2.280 30 10 IEEE C=CCn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705893481 KAEZYHBCHGJCSX-URXFXBBRSA-N 441.576 2.360 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1ccnn1C)C1CC1 1705904740 XEQYXPBOLFBVAP-UHFFFAOYSA-N 441.486 2.352 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CN(CC(C)C)CCO2)n1 1707814130 FHVGSMWUTOYJCS-PXNSSMCTSA-N 428.585 2.092 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)C 1711681487 FHWCHPFZASSIKV-OAHLLOKOSA-N 432.912 2.251 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1712664356 UONJRXUIOBBAHM-KRWDZBQOSA-N 436.463 2.082 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1722372479 XPXBVXRKQFIDQE-LJQANCHMSA-N 430.578 2.123 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1722384287 SIOSDRXCDIVCAI-FQEVSTJZSA-N 432.503 2.481 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2cccn2)c1 1722388148 WXCRFALEPXZDNY-UHFFFAOYSA-N 441.539 2.270 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1722439324 XVAZHHVQMLOUBX-VXKWHMMOSA-N 435.620 2.387 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1722672823 ZUTJKEAUQOBNMY-KRWDZBQOSA-N 448.568 2.243 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)CCC)C1 1722717298 HVVUZORHBFOWSP-KNQAVFIVSA-N 438.536 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722752162 XDJSZDMXXAILAI-ROUUACIJSA-N 447.605 2.473 30 10 IEEE CCC(CC)[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)OC 1727154229 GZDXOWDRVRARCB-MSOLQXFVSA-N 441.536 2.495 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1728544414 LNKCKTZPTSEHCU-HOTGVXAUSA-N 434.504 2.357 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cl 1730763074 BQORLGRESMNFEB-MRXNPFEDSA-N 437.953 2.248 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740631736 UMMZOKDNYUKPEW-PMPSAXMXSA-N 445.511 2.330 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)CCOC)CC1 1740691689 AYSNUZYPEURYLG-UHFFFAOYSA-N 425.533 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1740710245 SSIZTISKRKFALK-SFHLNBCPSA-N 442.608 2.216 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740710768 BWZVBJHICLMWJU-GOSISDBHSA-N 443.573 2.434 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740714445 YQTJWUKVNIKULN-UHFFFAOYSA-N 440.617 2.302 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1740899790 IXCTZIKZOZBRIA-UYAOXDASSA-N 445.589 2.353 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCO2)C1 1740983571 LAIGMBUETAVDQE-IAGOWNOFSA-N 429.546 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740993556 ABTXVMLVYXMYAQ-UHFFFAOYSA-N 448.574 2.178 30 10 IEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@]1(C)COCCO1 1741645308 IVJWCLMVSZDBNZ-QHCPKHFHSA-N 438.532 2.262 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1748710204 JRMRGMDCEOBZFG-IBGZPJMESA-N 426.590 2.459 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1748824091 IRDKEHDLJHXKFT-IBGZPJMESA-N 430.574 2.301 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)Oc1ccccc1F 1748847873 XZEZNDHGLKCFFD-ZWKOTPCHSA-N 444.532 2.250 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1748925762 NCJDQAWUCIQEGB-KRWDZBQOSA-N 425.514 2.343 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCCC1=O 1748962795 QTUHQACSYFSACF-NRFANRHFSA-N 437.544 2.039 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)N(C)C)CC1 1749011079 TXIMVUXKLZFHQF-FQEVSTJZSA-N 447.543 2.202 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1749033931 RSJFMGCOLHIOJK-BZSNNMDCSA-N 446.621 2.117 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749211428 YIWZQMRVLLWOBJ-GOSISDBHSA-N 426.521 2.160 30 10 IEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749634664 FUKUEDNLIAWZML-AWEZNQCLSA-N 433.438 2.207 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1749668678 CHTXNYAAZQKMSD-HNNXBMFYSA-N 447.486 2.410 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 1749735907 CXOFXNMIYNRNIV-UHFFFAOYSA-N 447.580 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCSC[C@@H]1C 1749736726 NTLJFSBIGABZAV-INIZCTEOSA-N 436.603 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1749740098 PNRQHUWPUATXCZ-ICSRJNTNSA-N 446.573 2.442 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1749846750 CJUJPBOOZOJHTJ-AWEZNQCLSA-N 435.444 2.423 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cccs2)CCO1 1750388299 NLIAQHFNSATXCV-HNNXBMFYSA-N 428.543 2.151 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNS(C)(=O)=O 1760163677 ZFUWMLDPSALZOM-OAHLLOKOSA-N 439.969 2.307 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1760187296 CNUZMRPSRGGYGS-ZWKOTPCHSA-N 431.587 2.253 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1760205427 AYSTUPQZUOMVGL-REWPJTCUSA-N 433.556 2.124 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1OCCC1(C)C 1760216657 WOXOTTMTZOEYSW-FQEVSTJZSA-N 444.539 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1760242640 KIPFLAICAOBVIH-DLBZAZTESA-N 425.533 2.435 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N(C)CC)C1 1760537940 UPRLAQBGKLJAEP-QGZVFWFLSA-N 429.521 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1760551028 QZVIJZHEIGNILI-QGZVFWFLSA-N 433.578 2.079 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1760568760 RUVMKYWBHASCED-AVRDEDQJSA-N 449.621 2.441 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1760637775 FWOKLWACUKSODB-OAQYLSRUSA-N 449.559 2.324 30 10 IEEE CC(C)C(=O)NCCn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760700021 LHZLJSHUCXXIFG-YESZJQIVSA-N 447.584 2.417 30 10 IEEE Cc1ccc(OC2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1761817878 RAYSMCLTHYEYPP-QURGRASLSA-N 436.516 2.469 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1762715057 NLVFHOGJCREXBT-CALCHBBNSA-N 431.562 2.360 30 10 IEEE CCc1nc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cs1 1762797599 AKMLCOUXFCLXFN-UZLBHIALSA-N 432.550 2.115 30 10 IEEE C[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1762904568 NUDXLCOHZVODQM-JROKQLJMSA-N 428.537 2.325 30 10 IEEE CC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765122622 HNUWOUGTXKPYRU-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE CCN(CCC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766862492 JMFBHDRBWIWADO-RWNPKEDZSA-N 428.537 2.325 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CCO1 1769240601 GBBRXNXUYNUJBU-NVXWUHKLSA-N 430.459 2.203 30 10 IEEE COC[C@@H](F)Cn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769282571 MGICYSAWLLFERF-KRWDZBQOSA-N 430.532 2.160 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ncc(C)s1 1769836553 ACLHDHBLKCALCR-OAHLLOKOSA-N 431.566 2.449 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCSC(F)(F)F 1771219449 MMASUYSIPRUIGT-DZGCQCFKSA-N 448.515 2.432 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@H]1CCCO1 1771289159 NVNFEQXYCSHNLN-ZCNNSNEGSA-N 433.553 2.328 30 10 IEEE COc1cc(C)ccc1O[C@@H](C)C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851132356 HAZHXAVNHTWSDG-INIZCTEOSA-N 434.500 2.300 30 10 IEEE Cc1ccc(S(=O)(=O)NC(Cn2cncn2)=NOCC[C@H]2CCCCN2C)c(C)c1 1853565707 RQDMBYOZIKZXSS-GOSISDBHSA-N 434.566 2.078 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3cc(F)cc(Cl)c3)C(=O)O2)CC1 1856885055 DQSUCKYXRGQTHR-HNNXBMFYSA-N 429.857 2.005 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(CC)cc2)cc1 1858643513 BHXPLFCTXMHPCI-UHFFFAOYSA-N 431.514 2.118 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCO)ccc1O 1862573915 CVYIEXNKNRPDNN-HXUWFJFHSA-N 443.452 2.379 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862691489 NXIJBKDHTUVUKA-OAQYLSRUSA-N 437.496 2.476 30 10 IEEE C=CCNC1=C(c2cc(OC)ccc2OC)C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O 1863709431 RMRHOTRLPGAEKK-UHFFFAOYSA-N 443.500 2.180 30 10 IEEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(CCO)CC2)cc1=O 1870411126 UROIFNRMCLSARD-QFIPXVFZSA-N 435.609 2.486 30 10 IEEE C=CCn1c(C(=O)N(CC)CCc2ccncc2)cc2c(N3CCN(C)CC3)ncnc21 1873561577 QTRXBWHHNGKYFA-UHFFFAOYSA-N 433.560 2.469 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccc(F)cc3)ncnc21 1875227651 IKEDMRAWURSMCZ-UHFFFAOYSA-N 438.507 2.119 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)CC1 1889296938 CXFBFCYGXSMKCX-UHFFFAOYSA-N 438.494 2.363 30 10 IEEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](O)c1cc(I)nn1C 1899719287 XWAUGWUZMWFYOH-IRXDYDNUSA-N 427.286 2.419 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)O 1914795536 VPNWZCFTCOOIPS-QIJUGHKUSA-N 436.512 2.464 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2009972668 RPEQZQAFHNSSCM-SZNDQCEHSA-N 441.525 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2052659220 VTQAYUPKZUXDJG-UAGQMJEPSA-N 436.358 2.333 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060727745 HSNJOCNRUSXPJW-NJDAHSKKSA-N 442.560 2.495 30 10 IEEE C[C@H]1CN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2124539977 BHJODDPTVBCFPZ-AWEZNQCLSA-N 447.345 2.249 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229104601 PSVWTNQYSRURSQ-HOTGVXAUSA-N 425.323 2.385 30 10 IEEE C=C(CS(=O)(=O)NCCCN(OC)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243434960 IIFSKVYUUAZAGU-UHFFFAOYSA-N 434.364 2.282 30 10 IEEE CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243666522 AGMYIGFGCJRRJA-GFCCVEGCSA-N 425.360 2.362 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(C)(C)NC(=O)OC(C)(C)C 2255614811 MNNVCWJAJMLVDC-CYBMUJFWSA-N 436.362 2.141 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(OC)C(=O)OC(C)(C)C 2255876816 QSBJBYGHVSXBHI-UHFFFAOYSA-N 437.346 2.336 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256912610 VNFDLBUSPHGUNT-WMLDXEAASA-N 429.278 2.367 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267009077 JMZDJBSLYTWYNI-CABCVRRESA-N 448.373 2.237 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267100329 SNQRQAZWPJBVKM-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2267142700 XSFUCDLAYYFCGX-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267146543 OBGMZXUBGZKXJR-UHFFFAOYSA-N 448.373 2.111 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NCC2CCN(Cc3ccccc3)CC2)OC1(C)C 2267223377 GCHVTNYJBJFOTI-UHFFFAOYSA-N 436.365 2.418 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267268085 POSPUBSYCWUFAQ-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C 2267539471 QUDKIRHPJQNQED-GDBMZVCRSA-N 448.373 2.330 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267550819 FDRHSZDRTDDLSC-CABCVRRESA-N 448.373 2.143 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267599109 KEHYBTNWRVKRCK-ZWKOTPCHSA-N 446.353 2.004 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268641914 DFQOGZJVVGMBFJ-CVEARBPZSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268700590 VXOXJBKAMDGCOU-SJLPKXTDSA-N 446.353 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@@H](O)C#Cc2cccc(Br)c2)C1 2278732702 LHRGQIQNHUNLFT-JKSUJKDBSA-N 444.347 2.196 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3ccncc3)n2)cc(OC)c1OC 59311028 YVEQFACOLDOPKK-UFFVCSGVSA-N 443.489 2.402 30 10 IEEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59888082 MHHXQZGKFCPFDX-CIAFOILYSA-N 442.549 2.486 30 10 IEEE Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1/C=C\C(=O)c1c(O)[nH]c(=O)sc1=O 96576887 MDFCONCWFGGYPR-HJWRWDBZSA-N 435.465 2.293 30 10 IEEE C#CCN1C(=O)[C@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(c4nccs4)C(=O)[C@H]32)c2ccccc21 103676275 ZXAFZSVPNLISFZ-XITLKHQFSA-N 434.521 2.142 30 10 IEEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 238876163 OCALZTBLFXGOHE-SHTZXODSSA-N 430.486 2.178 30 10 IEEE C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccc2c(c1)OCO2 252591889 BCWRDKNVZKODOX-UHFFFAOYSA-N 433.472 2.495 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1[N+](=O)[O-] 427909985 DXVBEABYZQMHFC-ZOBUZTSGSA-N 425.445 2.366 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 440885128 XADMTGSERIJBDP-UHFFFAOYSA-N 441.488 2.473 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 460812122 WONYBOIJMMFOIE-LJQANCHMSA-N 449.552 2.495 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1C 465230557 AAAAEIVLKISLCE-UHFFFAOYSA-N 445.527 2.137 30 10 IEEE N#CCc1ccc(OCc2ccccc2NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 467167129 AGRCNDJMTBKYGF-UHFFFAOYSA-N 431.456 2.111 30 10 IEEE COc1ccc(CN2CCCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2=O)cc1 469336662 ZDGZNTPDQZPIPB-UHFFFAOYSA-N 426.498 2.264 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)o1 488122437 VHKSQYNIGHUCGQ-IBGZPJMESA-N 449.532 2.156 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 489208326 SUJOQVQBDLXMDA-MQSCRBSSSA-N 446.507 2.004 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1 498305562 WHPUXKYDIQYXRL-LJQANCHMSA-N 449.467 2.397 30 10 IEEE C=CCOc1ccc(CNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 505794712 FFDPJLJGCMBYBC-MRXNPFEDSA-N 430.482 2.167 30 10 IEEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 507480240 RHWJRELPBHTMIC-HUUCEWRRSA-N 436.559 2.136 30 10 IEEE CCc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cnc2c1c(=O)n(C)c(=O)n2C 513774495 ZVFOHBKMRAKIAZ-AWEZNQCLSA-N 446.294 2.496 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccccc1 530654676 LUMZVFJUEKUZIM-UHFFFAOYSA-N 448.573 2.167 30 10 IEEE COCCNC(=O)Cn1cc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 541098772 OSNXYIKSQBWRMV-UHFFFAOYSA-N 442.867 2.000 30 10 IEEE C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCN(c2cccc(C#N)n2)CC1 546919159 HPTKJBIIKMXIMN-HXUWFJFHSA-N 432.572 2.245 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 549217761 NLUADQRWCPBDAY-UHFFFAOYSA-N 433.578 2.384 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccnc3[nH]nnc23)CC1 559277915 JSNWKUYHAWJAHF-HNNXBMFYSA-N 426.278 2.138 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 604158117 QAKYTFYKRCKBMC-FQEVSTJZSA-N 433.984 2.106 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609090212 XDUJGMXUNYRHMK-UHFFFAOYSA-N 446.410 2.421 30 10 IEEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311354 NVOYFMBMXBGKHL-UHFFFAOYSA-N 441.509 2.499 30 10 IEEE N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 615664146 JGTAOGUJDONDHB-HOCLYGCPSA-N 430.299 2.066 30 10 IEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669809560 DTLIDFFCCWEZHA-UWJYYQICSA-N 426.540 2.183 30 10 IEEE COC(=O)c1cc(F)ccc1COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 728987184 YXARUQHGUQGIOU-UHFFFAOYSA-N 434.445 2.174 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1-c1ccc2ncccc2c1 731410943 XOGUZBISMMHJBG-UHFFFAOYSA-N 432.465 2.255 30 10 IEEE C[C@H]1CCCCN1Cc1ccccc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732443870 FAZLQGJXPFYWTC-NFFVOIMASA-N 425.533 2.387 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CCN1C1CC1 732706559 QKYIKEUSSISEEL-OAHLLOKOSA-N 432.406 2.028 30 10 IEEE Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707716 DHHIDDAFPLGULH-HXUWFJFHSA-N 437.544 2.195 30 10 IEEE C[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744367959 IALVKCSJIKUTFC-CJGGCVNNSA-N 435.505 2.454 30 10 IEEE C[C@H](C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 752612303 ACHTYIJVLMKUTL-LSDHHAIUSA-N 429.498 2.482 30 10 IEEE C#CCN(C(=O)NCCCc1ccc(Br)cc1OC)[C@H]1CCS(=O)(=O)C1 753382451 KSCOOFZSEGIMMM-INIZCTEOSA-N 443.363 2.222 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 757574347 DXISOPFWXKNEOA-RBUKOAKNSA-N 426.517 2.414 30 10 IEEE Cn1cc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2CCc2nnnn2C)cn1 771533001 IBLOQONVMCDGMA-UHFFFAOYSA-N 425.909 2.474 30 10 IEEE C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 779829328 STTZSVCZBNSTPB-UHFFFAOYSA-N 434.477 2.498 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc(C2CCC2)n1C 783093091 RWHWXLCEAYEFJL-MRXNPFEDSA-N 445.545 2.279 30 10 IEEE C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1 798747816 NWVDUJWYSXEDMZ-HZPDHXFCSA-N 446.467 2.384 30 10 IEEE CN(CCCC(=O)NCC(=O)NCC#N)C(=O)OCC1c2ccccc2-c2ccccc21 804821298 KKZSFAADECXRMC-UHFFFAOYSA-N 434.496 2.403 30 10 IEEE C[C@H]1CN(Cc2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2)C[C@@H](C)O1 805843668 PUHDMNBNKASXDJ-CALCHBBNSA-N 427.526 2.427 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 809885206 CJBADCQMVXXNFH-OKZBNKHCSA-N 449.552 2.157 30 10 IEEE COc1ccc(OC)c(CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)c1 914496357 ZGGBWLCLIMNCBY-UHFFFAOYSA-N 443.525 2.324 30 10 IEEE CC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)s1 921280518 IRYWMXUETCXGII-PYCFMQQDSA-N 434.543 2.449 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1 1084277805 QYAFKWZHTXHEDG-ZDUSSCGKSA-N 441.517 2.122 30 10 IEEE COc1ccc(CCNC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc1 1084496546 QXHWCYCUDOAVQU-UHFFFAOYSA-N 439.545 2.206 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)ccc1Cl 1126630447 BQZWGSCEINVKOA-UHFFFAOYSA-N 444.904 2.354 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)COc2ccc(C#N)c(Br)c2)n1 1128673345 VIBUTGYJNOVCTO-UHFFFAOYSA-N 431.290 2.204 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(CN(C)Cc2ccccc2)CC1)c1cc[nH]n1 1136586347 KNXSGSMUNGVDNC-UHFFFAOYSA-N 441.532 2.064 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)CC)c1ccc(Br)cc1 1141461165 PQKOWSBVYRMTBU-HUUCEWRRSA-N 433.393 2.301 30 10 IEEE CCOC(=O)c1cnn(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)c1 1158599114 FWJPMBLZLLYVBJ-KRWDZBQOSA-N 435.484 2.148 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1 1170310143 HGAJYSSCRJWABZ-INIZCTEOSA-N 439.553 2.483 30 10 IEEE C#C[C@@](C)(CC)NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1170451073 HCFCRDJWDMLOPD-LRJKXPEMSA-N 445.566 2.124 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c(C#N)cn1CC 1206508216 AUQZIXDZRYSMEG-OAHLLOKOSA-N 431.880 2.428 30 10 IEEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1214911614 CCXHBCABEUPCPN-SFHVURJKSA-N 437.566 2.422 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCN(C(C)=O)CC1 1286276299 XDYKYQDIZQNEJQ-MRXNPFEDSA-N 446.502 2.169 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1286392942 IEWFRCMVRMOCAC-GOSISDBHSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1286415589 PBWZSHPWIQFOFK-NHCUHLMSSA-N 440.636 2.296 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1ccn(C)n1 1286426134 LFQJLTIKBCVAOY-UHFFFAOYSA-N 426.484 2.033 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1NC(=O)CC1(C)C 1286468539 AHRBBYQNKOQSHY-HXUWFJFHSA-N 439.560 2.475 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cnn(C)c2)CC1 1286475398 YTTFRXVDOSWNJS-UHFFFAOYSA-N 446.378 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(C)CCCO2)CC1 1286489170 IGNJPJMSCDFJQP-DEOSSOPVSA-N 437.544 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](CC)N2CCCC2)CC1 1286490768 RHSJJDPOMPHXNH-OAQYLSRUSA-N 449.603 2.489 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286594500 UROXOFFVSWQROY-UGKGYDQZSA-N 437.592 2.219 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC(C)(C)C2)CC1 1286651839 MZUBKMMQBCDBPB-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286692944 KDIPPQDRUNJVGB-JOCHJYFZSA-N 436.520 2.377 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1286754288 PJBWPQJYFGPVGS-INIZCTEOSA-N 430.578 2.389 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 1286795175 XDEQIFLYNUZHQG-RKVPGOIHSA-N 437.541 2.296 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1286823933 RWUKEPNQUYUVDS-NVXWUHKLSA-N 443.639 2.060 30 10 IEEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)N(C)C 1287339832 ZQLZZDONPDOZBT-SESVDKBCSA-N 440.548 2.267 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1288389762 OYKTUTQCJDXVBX-LJQANCHMSA-N 447.561 2.167 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1290175954 AVIRTCUXAXKECU-NHCUHLMSSA-N 425.533 2.492 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C[C@@H](C)S1 1291217458 BOFKRFSZWJPEBZ-IYBDPMFKSA-N 438.561 2.321 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)n1cc(Br)cn1 1296166320 GAMYOHBNAFFIMM-YRGRVCCFSA-N 426.315 2.472 30 10 IEEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1301008971 FMCIUWDDWBPITH-UHFFFAOYSA-N 432.528 2.272 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301208431 WJTDQQMLXOWPMV-UHFFFAOYSA-N 434.522 2.291 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301261108 BXTZEDUCQXMVCV-LEWJYISDSA-N 432.613 2.327 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1301485037 QCLFLITWXCDBNS-HXUWFJFHSA-N 438.576 2.066 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2)CC1 1301505955 CUZZLRFPRPCIPD-UHFFFAOYSA-N 431.544 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC)[C@H](C)C1 1301593275 LJEIZQWMINOKCN-LJQANCHMSA-N 447.605 2.297 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@]2(CCOC2)O1 1301971568 NTYDKSVSKFQEJJ-WHSLLNHNSA-N 444.561 2.204 30 10 IEEE Cn1ccn2c(CN3C[C@@H]4[C@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nnc2c1=O 1308125314 UOGMYQQHWUFWTL-OCAPTIKFSA-N 431.287 2.031 30 10 IEEE CCc1ccc([C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(CC)CC)cc1 1312786192 KWBABJBTQLGDFH-VWPQPMDRSA-N 432.590 2.212 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1313895620 JUJDOIWXFOHDOY-LJQANCHMSA-N 430.578 2.172 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1314977762 NSEDZMSOMUCGTR-HFXUHXBXSA-N 438.532 2.116 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1315232094 QRVPWDJQGUIVST-RTBURBONSA-N 425.537 2.394 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1354262460 UWXYGFHVBQHDNM-OAHLLOKOSA-N 433.468 2.256 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1358927252 RQCJOHIWGSUYJD-UHFFFAOYSA-N 447.543 2.351 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1358930348 SZFQCADVGNURKT-MRXNPFEDSA-N 449.527 2.198 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1358933893 HRGWFLGWCGUOAS-UHFFFAOYSA-N 438.576 2.226 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1358969823 XPBCBQWGQODTRG-CQSZACIVSA-N 437.397 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1358984342 QUFFJDKUXMSWQF-QGZVFWFLSA-N 435.528 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CC1 1358987404 FPJAVHXAOSVAEJ-UHFFFAOYSA-N 425.558 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](C(CC)CC)N1CCOCC1 1358990846 DTGDOTYYEQGYPV-QFIPXVFZSA-N 435.576 2.335 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCC1 1359019737 FPCCFYHNDIKKGC-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1359070943 YMQZAOZLCJOQFU-TWFHAPMSSA-N 435.594 2.039 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCCO)CC1 1359172719 GBJYUNWGXUCSBE-IBGZPJMESA-N 439.564 2.175 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)nn(C)c1C 1359268846 FJUKVYBARJZPDV-UHFFFAOYSA-N 430.520 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2C[C@]2(N3CCOCC3)CCSC2)C1 1359321760 LGFJHKAWDANCCM-SIKLNZKXSA-N 435.638 2.466 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1359466538 CXYRKPOFUKGLLM-QLFBSQMISA-N 438.529 2.091 30 10 IEEE N#Cc1c(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)nc2n1CCS2 1360154790 HNGINDIPKQWMBT-UHFFFAOYSA-N 441.332 2.425 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOC1CCCC1 1360676433 QEMBEWALIFJAGZ-INIZCTEOSA-N 438.598 2.368 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOc1ccccc1 1360693682 JVJFSJAQACXXNV-UWJYYQICSA-N 446.577 2.487 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2C#N)c1 1438168392 CBDXTXJKICVYCL-UHFFFAOYSA-N 438.303 2.498 30 10 IEEE COc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)NC(C)C 1452948294 RLYILDPHLPRKCK-SFHVURJKSA-N 431.514 2.059 30 10 IEEE CC(C)(CCC#N)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1468681225 ILWLANZIRMBRPZ-BZUAXINKSA-N 427.567 2.103 30 10 IEEE C=CCN(CCOC)C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1469947760 IRYJVCIQPPMXSA-OAHLLOKOSA-N 438.491 2.314 30 10 IEEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1470618768 XUZODIVDDGZGKI-NRFANRHFSA-N 438.553 2.498 30 10 IEEE CS(=O)(=O)N1CCC(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)CC1 1472991059 GYKCEMJUDSLPKR-UHFFFAOYSA-N 430.555 2.253 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 1476025273 VZXDJLACQINVIH-UHFFFAOYSA-N 432.477 2.235 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478902059 PJJULNIELYUHPX-WIYYLYMNSA-N 441.576 2.095 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 1479209584 PEESUKNDXUZRTJ-FHWLQOOXSA-N 432.565 2.432 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(C(=O)NC)c2)CCOC1 1502618150 GIZFWZSXKZZSCQ-ZHRRBRCNSA-N 426.521 2.076 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503204580 SVYLZOOLEOBTSQ-UHFFFAOYSA-N 445.531 2.093 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1503441875 PFDWMUSEIAFCRU-UHFFFAOYSA-N 438.532 2.426 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)C(C)(C)C 1503974518 AECYSQDCWNYUAA-IBGZPJMESA-N 440.548 2.173 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1504888326 OCMHYDXBULEAIS-IRXDYDNUSA-N 444.502 2.423 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1507516837 MZEOWQMUGQVMSI-WDEREUQCSA-N 446.396 2.219 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507558184 CJEUGOKMATUXPG-UHFFFAOYSA-N 433.516 2.150 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1507577004 YIINSBAKQPNKJO-QUCCMNQESA-N 444.605 2.407 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)N(C)C)CC1 1507583054 MWLDUYPHRBQEOM-UHFFFAOYSA-N 426.521 2.114 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1507588072 FMLKGCCZRHTQHL-LJQANCHMSA-N 449.552 2.108 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NCC=C)CC1 1507719742 FHFMXROHCOFLON-UHFFFAOYSA-N 438.601 2.333 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1507918698 HSVFREKCSQUHTJ-HOTGVXAUSA-N 425.599 2.261 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507942684 TXYKKUZUTLBEDG-INIZCTEOSA-N 431.562 2.372 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1507961751 FCQYARHUMCKZMK-HNAYVOBHSA-N 445.486 2.352 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCC(O)CC2)C1 1508117378 MKRSGYNRHRUHIJ-HXUWFJFHSA-N 426.565 2.277 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1508419778 PGACAERLZDFGEJ-MRXNPFEDSA-N 449.515 2.260 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC(C)(C)O1 1512418014 CKCACJNHXIYRBP-HNNXBMFYSA-N 431.500 2.363 30 10 IEEE CCCCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1514514222 CHCHXIBQXBXZEQ-SJLPKXTDSA-N 446.577 2.398 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1516872973 PERXFTYLBKBKBN-QPHCHLROSA-N 442.589 2.139 30 10 IEEE COCCOC1(Cn2c(-c3cnccn3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1519342934 AMXMKHRMQDGUJW-NRFANRHFSA-N 441.536 2.077 30 10 IEEE CC1(C)COc2ccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2NC1=O 1532760821 VVEQIIQANDSVSJ-UHFFFAOYSA-N 442.497 2.488 30 10 IEEE C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(S(C)(=O)=O)cc1 1535625240 AFEMZTYKPHXVHX-QAPCUYQASA-N 425.510 2.235 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1538538107 LWQWAMHBIADXTL-QGZVFWFLSA-N 444.351 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCOCC1 1539312196 KKKDYPWRKAFDDA-UHFFFAOYSA-N 443.555 2.316 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1539758995 NSIQPXLFRJPFPU-UHFFFAOYSA-N 438.532 2.380 30 10 IEEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1541752891 NQFPDQWRCFGRIV-UHFFFAOYSA-N 426.521 2.103 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H](C)C#N)CC1 1547703802 JSJUOBWXXKGADZ-IRXDYDNUSA-N 430.626 2.256 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1554410177 XCRKBWRBZVIGKO-OAQYLSRUSA-N 448.474 2.320 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)CCO1 1554441549 GYYQRLFKSRERDS-AUUYWEPGSA-N 449.515 2.177 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1555809533 MUROCUBTDSJSJM-UHFFFAOYSA-N 439.488 2.113 30 10 IEEE COC1(OC)CC2(CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@H]2C(C)C)C1 1557260833 AHHAJVHZOQNYCD-SFHVURJKSA-N 435.546 2.128 30 10 IEEE Cc1c(S(N)(=O)=O)sc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1Cl 1558463937 BIQNBPOYSJIOKL-GFCCVEGCSA-N 439.950 2.341 30 10 IEEE Cc1noc(-c2ccc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc2)n1 1567342984 BTPHAQNXGIZKSK-UHFFFAOYSA-N 439.497 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1587667705 LNCXSSIZIXTHFQ-OAHLLOKOSA-N 444.561 2.206 30 10 IEEE CC(=O)Nc1ccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1596355051 IYTMHTBKTPPVHC-KSFYIVLOSA-N 441.536 2.316 30 10 IEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(=O)OC 1596794686 FVVWMGDWLMANMS-HXUWFJFHSA-N 434.558 2.200 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCCCc3ccccc32)cc1 1598590784 JNOKYRITLANIIZ-UHFFFAOYSA-N 427.526 2.250 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1613030681 GPZPLISVUQMIBJ-FKSFLZPCSA-N 429.496 2.453 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1615100267 HQBOASBYSAEBAH-IAGOWNOFSA-N 447.584 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNC(=O)c2c(F)cccc2F)CC1 1617591812 GHGSPXUFJKLIHQ-UHFFFAOYSA-N 435.471 2.461 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(C#N)s2)cc1 1626826982 TYLPGSJHQWVBJQ-BEFAXECRSA-N 433.555 2.183 30 10 IEEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](CO)c1ccc(Cl)cc1 1628211319 SIYCDPRRORQNDI-KRWDZBQOSA-N 435.933 2.351 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1628508751 YDPRHMODVRPJDY-IBGZPJMESA-N 426.480 2.441 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1[C@@H](O)c1ccccn1 1640073664 DPWHVUTYYNCKIK-YCRPNKLZSA-N 436.493 2.340 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NCC#C[C@H]3CCCCO3)ccn2)CC1 1640380131 BRLMOQYMDCOOON-LJQANCHMSA-N 428.533 2.441 30 10 IEEE CC1(C)CC[C@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)N(C(=O)OC(C)(C)C)C1 1643639331 KBALRUDJOROZGW-AMGRQBIBSA-N 434.537 2.445 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1648156151 XLBRYMOIBCXJLZ-NPPFBWRTSA-N 447.557 2.429 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1651873862 WPKRIPHPGPJWDZ-XMMPIXPASA-N 431.448 2.070 30 10 IEEE Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)c3ccc(CC#N)cc3)CC(=O)N2C(C)(C)C)cn1 1665020123 BQVMXBPRBNWSJG-UZLBHIALSA-N 429.546 2.153 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)nn1 1665450860 ASFMHBRVUJRFRC-UHFFFAOYSA-N 447.561 2.322 30 10 IEEE CON(C)C(=O)[C@H](C)NC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1687203751 KTXZQCHCHHEWRU-XLPZGREQSA-N 427.292 2.207 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1689860880 JZFBEZUVLJXBOR-HNNXBMFYSA-N 426.487 2.133 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cnn(CC)c2)c1 1689872316 UWSNCJUOFQDJLQ-HXUWFJFHSA-N 447.543 2.493 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1689927906 FCFXTAVVASIOLA-IBGZPJMESA-N 440.523 2.113 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690165729 IHBSUIRDEWTCEJ-INIZCTEOSA-N 443.573 2.386 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1690266641 DSBJRTJWCJAGPQ-HXUWFJFHSA-N 439.520 2.367 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690312878 FVDMZWQBPXWQIZ-CVDCTZTESA-N 441.532 2.346 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690462615 LEOAVYFSKLRMEG-FQEVSTJZSA-N 440.596 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCN(C)C2)C1 1690686625 QWORKBCDFCHVIM-PNCHPQGNSA-N 445.539 2.405 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690752240 BTDRQGYNRMQPMA-LJQANCHMSA-N 448.637 2.183 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)n2)cc1 1693160532 CTIBPBAZYHNWJO-SFHVURJKSA-N 438.561 2.369 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1693856986 RILVCQNKGDKEPL-KRWDZBQOSA-N 438.532 2.260 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1695064923 IDTQXACOHXNZRE-AZUAARDMSA-N 440.548 2.447 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](OC)[C@H](C)CC 1696328607 DOEBTYOTPCMHPW-MJGOQNOKSA-N 427.553 2.469 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1705515592 ICPKQOBIDIQTAW-HXUWFJFHSA-N 428.581 2.114 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCc2nccn2C1 1705540792 NDKHMFRYDSAMAC-QGZVFWFLSA-N 437.935 2.390 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC)cc1 1705627700 NQESQAPGPUJNPN-HXUWFJFHSA-N 425.533 2.056 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1705737577 VQOPIWCXUDZQEF-FXAWDEMLSA-N 426.583 2.168 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C)CC1 1705905115 KFGWIBQDMQVISU-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC=CO2)C1 1706177360 AWHJXNBMMDVMSV-XMTFNYHQSA-N 444.536 2.470 30 10 IEEE CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1)C1CC1 1711539501 GEQMEPIMJXZHPM-FQEVSTJZSA-N 437.548 2.040 30 10 IEEE COc1cccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1711938305 MMXHECNMXHTQOY-NRFANRHFSA-N 430.484 2.336 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCOC)cc1 1722285530 XIFWNJUWJQFESQ-QGZVFWFLSA-N 434.500 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1722297548 JTXMGWSGRRQZNP-KRWDZBQOSA-N 440.573 2.332 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722358795 LMJBSFXGHSBEOC-KRWDZBQOSA-N 432.546 2.094 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1722366811 KRSWDDNEAOYYFU-OALUTQOASA-N 446.548 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCO[C@@H]1CCOC1 1722398684 ABAOXOQAOSUEPI-OAQYLSRUSA-N 432.528 2.175 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(=O)OC)C1 1722693486 PQZNLEODEKDEGA-KRWDZBQOSA-N 449.515 2.027 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722703319 YUOIANHXNAWSLO-MRXNPFEDSA-N 439.438 2.235 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCOCC2)C1 1722722790 RQBUMVPJYHHHDP-SFHVURJKSA-N 444.532 2.189 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1722837059 QTYMEUOYBSIZAV-UHFFFAOYSA-N 433.560 2.431 30 10 IEEE CCCNC(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@]1(OC(C)C)CCOC1 1728208866 XTHCWZKPERCKLN-QHCPKHFHSA-N 440.548 2.353 30 10 IEEE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1729329075 VIXCOCXLENRKME-NRFANRHFSA-N 429.475 2.209 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)N1CCOCC1 1730949224 FHNHXOPNJZZEJM-YDHSSHFGSA-N 446.596 2.243 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1730992161 RTBAQTXVHINLFG-XLIONFOSSA-N 433.509 2.218 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1740590324 GTHLBAQAQGZDQW-IBGZPJMESA-N 437.610 2.429 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1cccs1)N(C)C 1740644309 ATYGZXUOIUHNCQ-BJLQDIEVSA-N 427.574 2.439 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCCn1cnnn1 1740679209 PQNVEGTUGBPVCE-UHFFFAOYSA-N 431.479 2.120 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1740708092 BDOVOXRGMQNPEF-RTWAWAEBSA-N 443.592 2.028 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC1COC(C)(C)OC1 1740722950 LSJGYCPXTOPLQC-ROUUACIJSA-N 438.594 2.204 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740723702 SLAZPUCYSRDVEZ-QGZVFWFLSA-N 438.619 2.434 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740847210 AGHVFSGFZHCKCD-AWEZNQCLSA-N 435.550 2.231 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740875504 DYPCDRLSSNHVJJ-MOPGFXCFSA-N 430.597 2.318 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740883900 JKVSYXVSXHNJGV-SFHVURJKSA-N 449.577 2.444 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1740918057 JYNDTAMRAVTZTL-LJQANCHMSA-N 425.533 2.257 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740992185 MSEYBJLWHCVQKA-UHFFFAOYSA-N 444.561 2.002 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1741801480 AWZZQQQLBIEXJJ-HOTGVXAUSA-N 443.556 2.308 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4ccc(C#N)cc4)nnc3N(C)OC)cn2)CC1 1746441053 MGUPHYYAWCGUDW-UHFFFAOYSA-N 432.532 2.400 30 10 IEEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1747531791 OBRXEJZFUTUKIR-UHFFFAOYSA-N 427.509 2.004 30 10 IEEE CO[C@@]1(Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1748504732 AVTQQQDADWOPNC-PGRDOPGGSA-N 427.505 2.008 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CCOC)CCC2)CC1 1749329458 MJBOWZLTHTWXSC-MRXNPFEDSA-N 425.599 2.498 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1749564488 AGQCVCOJNJDSJJ-LJQANCHMSA-N 447.547 2.358 30 10 IEEE C=CCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749646609 UGPILJPVVAFSSE-XMMPIXPASA-N 446.640 2.500 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1749663422 DPQPPTMWARFLDS-LJQANCHMSA-N 435.532 2.024 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1750033211 ADDZKHOCZXEPHW-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccc1 1760155376 WRCAFKVAEJHWLO-HXUWFJFHSA-N 445.589 2.093 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cc(OC)c(OC)c(OC)c1 1760204655 XZXVOJCCBCAFMJ-UHFFFAOYSA-N 431.496 2.411 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC(C)(C)c2ccc3c(c2)OCCO3)CC1 1760264932 ZHJOHWCVFLDUQY-UHFFFAOYSA-N 439.560 2.319 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(C(F)(F)F)CC1 1760530775 VLGZAUPRGHPVQS-BBRMVZONSA-N 429.443 2.003 30 10 IEEE COc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)N(C)C)cc1 1768523729 CCVSDSPJRIYNKZ-GOSISDBHSA-N 446.559 2.497 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccs1)N(C)C 1770216439 BPDZRTIDFFCRHA-DWRORGKVSA-N 446.577 2.095 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccc2F)nnc1N1CCC(F)(F)C1 1770833287 RDGZDXKWTPGWMB-HNENSFHCSA-N 446.433 2.380 30 10 IEEE COc1cc(C)ccc1O[C@H](C)C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851132357 HAZHXAVNHTWSDG-MRXNPFEDSA-N 434.500 2.300 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 1852495961 XGCKVWVQFVJSPL-GFCCVEGCSA-N 441.875 2.122 30 10 IEEE N#Cc1cccc2c1CC[C@H]2NC(=O)Cn1ncn(-c2ccc(Br)cc2)c1=O 1852588564 JPMPZUROJYOLIB-GOSISDBHSA-N 438.285 2.472 30 10 IEEE Cn1nc2c(cc1=O)C[C@@H](N(Cc1c(Cl)nc(Cl)nc1Cl)C(=O)CC#N)CC2 1853458990 XAVSMNXYGRHUGO-JTQLQIEISA-N 441.706 2.330 30 10 IEEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 1855491974 OMUKYPBWGAPQMD-LSDHHAIUSA-N 428.480 2.242 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC(F)(F)F)C3)CC2)cc1 1855633734 LYYJAXRSYALDKJ-OAHLLOKOSA-N 443.447 2.286 30 10 IEEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)C1(C)C 1856110031 ZAXNIUSNJBBIRP-UHFFFAOYSA-N 439.603 2.174 30 10 IEEE N#CCC(=O)N1CCCC[C@@H](N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1857435507 KYBWDZKCJYQCIY-QZTJIDSGSA-N 437.949 2.323 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862608778 VZXGASIEFUIGME-IBGZPJMESA-N 439.420 2.381 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862691179 IWELREUAGGBNDM-OAQYLSRUSA-N 437.496 2.476 30 10 IEEE CC(C)N(CC(=O)N[C@H](C)C(=O)Nc1ccccc1C#N)S(=O)(=O)c1ccc(F)cc1 1867233286 NRDDZVHGPUSMMC-OAHLLOKOSA-N 446.504 2.240 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCCCCC2)nc1C 1872678914 QXYKFFBDDQQLCC-UHFFFAOYSA-N 449.489 2.211 30 10 IEEE CCOCCOC(=O)c1ccc(N2CC(=O)C(c3nc(O)c4ccccc4n3)=C2N)cc1 1872731174 SFGISTRHVLWUCX-UHFFFAOYSA-N 434.452 2.245 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013642465 IHPIFVMUNZQVBL-CVEARBPZSA-N 439.553 2.429 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2123517061 BVLYPZOFPQYPOJ-JKSUJKDBSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H]1CCCO1 2141675719 SLSIQUMJGQARRB-DOTOQJQBSA-N 447.341 2.392 30 10 IEEE C=C(I)Cn1ncc(NCCN(C)C(=O)OC(C)(C)C)cc1=O 2211716473 KZZJNGSFPGEDLO-UHFFFAOYSA-N 434.278 2.471 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243370871 UBQMXNJPQHDNKP-UHFFFAOYSA-N 437.305 2.132 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@H]1C)B1OC(C)(C)C(C)(C)O1 2247962487 OCHHHXQYJJEAAJ-OLZOCXBDSA-N 440.293 2.035 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2248405734 WCGLWHMFJIHFJZ-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2251295503 TTWONAGHMAQFTC-SVKHLYGUSA-N 438.252 2.107 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254805368 KCZLKTHZIGHQQW-DZGCQCFKSA-N 437.321 2.472 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCONC(=O)OC(C)(C)C 2255545148 LHXNUJWLDSIUCH-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]21 2255707383 VNSIBVUILYAJNH-HLLBOEOZSA-N 431.342 2.442 30 10 IEEE Cc1ccnc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255828825 HDSTZCLWFGRTLL-UHFFFAOYSA-N 431.342 2.286 30 10 IEEE CC(C)[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256061331 JZPCPANEKQEGTJ-CQSZACIVSA-N 434.346 2.055 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 2257494681 NMVAZVOLNPKWLV-UHFFFAOYSA-N 431.342 2.428 30 10 IEEE CO[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)N(C(=O)OC(C)(C)C)C1 2267563316 NUXCYHNHLXPWNL-CVEARBPZSA-N 449.357 2.068 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2267591236 ZELDZCNXGGZYLG-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872015 RFBGNMVSFSANJC-IEBWSBKVSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268646226 IMQCPIRHXAGZES-LSDHHAIUSA-N 447.341 2.080 30 10 IEEE Cn1cc(I)c([C@H](O)C(=O)C#Cc2cccc(Br)c2)n1 2296243515 MRHIUWVRJRWBJN-CQSZACIVSA-N 445.054 2.441 30 10 IEEE Cn1cc(I)c([C@@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)n1 2296267121 PNCRGQNWZBCRRL-JSGCOSHPSA-N 446.086 2.200 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315637023 CFXDTLOGFHBCOG-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE Cc1cc(CNC2(CO)CN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2320560238 AXTSDENCTKHTQR-UHFFFAOYSA-N 432.370 2.366 30 10 IEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1 2325918343 DAWWPYGKWVUZMF-GOSISDBHSA-N 434.525 2.254 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1O 2327876201 SZZXHOBSZFGCPC-AWEZNQCLSA-N 431.518 2.245 30 10 IEEE COc1nc(N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787844 GYGZLSHNOYSIQT-CHWSQXEVSA-N 443.275 2.283 30 10 IEEE O=C(NCCN1C(=O)CSC1=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 19337248 GKEFPHYJKLTTKE-UHFFFAOYSA-N 431.477 2.092 30 10 IEEE CSc1ncccc1C(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2C#N)CC1 43942717 KGYZYIKNMKMMCB-UHFFFAOYSA-N 437.525 2.282 30 10 IEEE N#Cc1ccnc(N2CCN(CN3C(=O)N[C@](c4ccccc4)(C(F)(F)F)C3=O)CC2)c1 110913946 WQUMODHQFXSXJD-FQEVSTJZSA-N 444.417 2.042 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCc2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 394694847 RBMXHSMNIKREQX-UHFFFAOYSA-N 432.374 2.307 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)c1 409523926 VKZNKLRFFDFEJO-HXUWFJFHSA-N 433.516 2.377 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460944886 INQPYEREXHGUME-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCN(C(=O)Cn1c(O)nc2ccccc2c1=O)[C@@H](Cc1ccccc1)C(=O)OCC 474203565 JFURAIPEAWLQOU-FQEVSTJZSA-N 435.480 2.291 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 499844079 VBTBURNYWWPASQ-KRWDZBQOSA-N 435.937 2.462 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 514503473 IMTFVNMVHXYSRL-UHFFFAOYSA-N 442.545 2.384 30 10 IEEE CCc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)c1 516831236 WBVMWDUJVMEZGM-UHFFFAOYSA-N 447.560 2.336 30 10 IEEE CCOC(=O)c1sc2nc(CN3CCN(c4ncccc4C#N)CC3)nc(N)c2c1C 538979669 IWEHGDBHHFMSIA-UHFFFAOYSA-N 437.529 2.348 30 10 IEEE C[C@@H]1[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC(=O)N1Cc1ccccc1 544612965 HARZMJSYEZBVON-ZPMCFJSWSA-N 445.523 2.148 30 10 IEEE CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555055769 IHSXMJBXNNHVRC-UHFFFAOYSA-N 447.524 2.219 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 556979794 JQOFIYOMEWTMNR-LJQANCHMSA-N 447.547 2.336 30 10 IEEE Cc1nc(=NC(=O)CSCC(=O)N(C)C2CCCCC2)n(-c2ccc(C#N)cc2)[nH]1 610231801 BANPTJCCSYWXLO-UHFFFAOYSA-N 426.546 2.332 30 10 IEEE Cc1ccccc1C(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 727868194 QJLOCDKXMSSYFD-LYBHJNIJSA-N 428.514 2.176 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCN1C1CC1 732705569 CGBGTLUMMIPLEO-MRXNPFEDSA-N 433.965 2.030 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)c1 733075605 RKKWEAFMIQBRBN-GCJKJVERSA-N 432.590 2.421 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]1C(=O)OC(C)C 736274129 QLLGSSBXPVPDFJ-IRXDYDNUSA-N 435.546 2.082 30 10 IEEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C#N 746877745 SCMUIUNOVUXFDM-HOTGVXAUSA-N 443.525 2.295 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC(=O)N2C)cc1 757601137 VQORDKXLHOOZGL-ZNWBIBPKSA-N 442.516 2.090 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 758152106 QNYRMNICKAQKQD-RTBURBONSA-N 432.569 2.369 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2C)n1 764567754 VJNAERAFXQUHOI-INIZCTEOSA-N 432.440 2.320 30 10 IEEE COC(=O)[C@@H](OC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)c1ccc(C#N)cc1 768709097 WNSYTTVRVIKNBH-JTSKRJEESA-N 427.457 2.206 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)c(Br)s2)n1 788693411 BLQYFEVTFPCILV-UHFFFAOYSA-N 432.365 2.486 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C#N)cn2)C1=O 788835942 YMXOOORSCKTIPY-PMACEKPBSA-N 449.511 2.436 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 790861432 IXMJLJDJMHGNCO-UHFFFAOYSA-N 446.428 2.489 30 10 IEEE Cc1cc(N2CC[C@@H](OC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2=O)n(C)n1 803866252 WWGYEQDUYQJYGF-LJQANCHMSA-N 425.464 2.304 30 10 IEEE CC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1cncc(C#N)c1)Cc1cccnc1 810041817 DAUJNOSUVSTYIZ-UHFFFAOYSA-N 431.518 2.454 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ncccc3C)n2C[C@H]2CCCO2)n1 812308929 PIZHLVIWCXWOGC-HXUWFJFHSA-N 435.532 2.310 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NNC(=S)Nc1ccccc1C#N 915995538 BIKQZXLHMTVODH-UHFFFAOYSA-N 448.599 2.305 30 10 IEEE Cc1ccc(C)c(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1084237739 RLZDWDOMPOEIAN-UHFFFAOYSA-N 442.549 2.404 30 10 IEEE COc1cc(C=NNc2nnc(SCC(=O)c3ccccc3)n2N)cc(OC)c1OC 1084372643 QNWCZBGNJCAMKT-UHFFFAOYSA-N 442.501 2.439 30 10 IEEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1c(Cl)cccc1Cl 1136630080 GGFHNJXZLBFLJT-LSDHHAIUSA-N 437.258 2.487 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1 1136994628 CVZFNKAIVWRTEV-UHFFFAOYSA-N 445.516 2.010 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(c2cccc(F)c2F)CC1 1141068937 HUOZVCDWYGKGQY-HNNXBMFYSA-N 448.495 2.242 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4nccc(Cl)c34)CC2)cc1 1141411567 CBKCRVIOGRFDTB-UHFFFAOYSA-N 443.916 2.164 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)C1CCN(C)CC1 1156646655 MCLRJNFGVOLFNC-UHFFFAOYSA-N 429.542 2.236 30 10 IEEE O=C([C@@H]1CC(=O)N(c2c(F)cccc2F)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161802167 KBLSFFWUBSCGND-CYBMUJFWSA-N 443.406 2.222 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C3)n[nH]2)c1C 1166600988 MGWWDOXGZYBUMX-IUODEOHRSA-N 445.467 2.124 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc(C(C)(C)C)cc2C)CC1 1175515020 NZRCVZALPDZIQB-UHFFFAOYSA-N 435.590 2.063 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3CO)n[nH]2)c1C 1181432147 VKSJGRRGBTYFCB-INIZCTEOSA-N 444.536 2.130 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 1189039334 AEVCYIPORRAFBH-CJNGLKHVSA-N 438.506 2.211 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)cc1 1190444928 AJSPBADKATWTOK-UHFFFAOYSA-N 440.518 2.466 30 10 IEEE CN1CCCC[C@@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1=O 1196727886 NRUBKUWKRYPWSW-DYESRHJHSA-N 441.576 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1197819187 XWBCIQMLSWINRI-CVDCTZTESA-N 428.533 2.405 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccccc3F)c2)CC1 1220060582 HWTCFZQRRHQVLS-UHFFFAOYSA-N 432.477 2.235 30 10 IEEE Cn1c(S)nnc1[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1234025556 ZEJUTAFBOHVTSG-DOTOQJQBSA-N 439.545 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCc2ccc(C#N)s2)CC1 1252041800 OEODNXSSFGRBLO-KRWDZBQOSA-N 447.561 2.373 30 10 IEEE C#CCN(CC#CC)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1253302644 WGOUIEKWNKDKHN-UHFFFAOYSA-N 432.565 2.293 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1254001534 FZWQJNYHIMCPPU-GOSISDBHSA-N 446.552 2.471 30 10 IEEE C#CCN(c1nnc(CC)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286392382 GVAVSBPHQKVAFF-HXUWFJFHSA-N 429.590 2.384 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C)nc2)CC1 1286474616 NUNILINSYVOABT-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1286757905 YGPZJWGTGZKXNU-KRWDZBQOSA-N 426.546 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C 1286782794 GSOYYBMNFSOYBV-LBPRGKRZSA-N 437.331 2.221 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)CCO1 1286943290 ZVIPMSNHZNLVDT-HXUWFJFHSA-N 436.541 2.462 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CCO1 1286944855 ICZZFPYXKLJZRX-OAQYLSRUSA-N 438.532 2.260 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1288267594 CZRAFSVCTHUKNP-UHFFFAOYSA-N 448.618 2.476 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 1292889640 JAGPOUAVLDZHRK-UHFFFAOYSA-N 430.705 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CN(CC(C)C)CCO1 1300292416 YNHIDWHETXCRBY-IEBWSBKVSA-N 425.533 2.489 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1CC 1300300201 XCGSPCUTLOBZFM-INIZCTEOSA-N 445.531 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCn1cc(CO)nn1 1300564617 GOYQMCHZEQDUSI-UHFFFAOYSA-N 441.898 2.375 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ncccc1N(C)C 1300656588 JQGIMUUMUPKTFE-UHFFFAOYSA-N 435.488 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCOC2)CC1 1300728605 BHLCNNJQKZEFHC-NRFANRHFSA-N 435.572 2.456 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300751518 KVHPPBTWIYUKGT-GOSISDBHSA-N 447.630 2.419 30 10 IEEE COC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1300996757 COCHLCTULNMIHV-YCRPNKLZSA-N 449.483 2.074 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301150985 FTBPDGUXQWJUII-TYPHKJRUSA-N 444.624 2.373 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1([S@](C)=O)CC1 1301340645 KSBNNEZWFRQIIR-HKBQPEDESA-N 440.573 2.392 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1303636002 HLYVPRKEFDFYCB-INIZCTEOSA-N 440.639 2.128 30 10 IEEE CCOC(=O)c1c(NC(=O)N(C)C[C@H](O)Cc2ccccc2)c(C#N)cn1CCOC 1310522836 BWRKIQULPXBDEN-GOSISDBHSA-N 428.489 2.250 30 10 IEEE CS(=O)(=O)Nc1ccccc1CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1311489880 HBKOCSISNXBOPZ-UHFFFAOYSA-N 441.557 2.394 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCOC(C)(C)C)cn1 1314904669 TZTDZWQTDYDBJE-UHFFFAOYSA-N 435.536 2.087 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H]2CCCO2)C1 1325278968 OSRITLNIONWBQN-IRXDYDNUSA-N 436.516 2.152 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2c(C)nn(C)c2C)c1 1358902236 HZAZXTSKZUKBRJ-IBGZPJMESA-N 447.543 2.237 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1358905083 RKNVQNCLHIQHGG-MUGJNUQGSA-N 448.637 2.002 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358931719 KPSTWDQFDAZORB-LJQANCHMSA-N 445.564 2.426 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358958840 WZYJMEHEIMVHRC-IBGZPJMESA-N 441.557 2.116 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358960388 DCEZSHCCJQYEBK-GOSISDBHSA-N 443.573 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccs1 1358970903 AFNSRNJBCRJKDT-UHFFFAOYSA-N 439.570 2.124 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)cc1 1358994488 OOHXEXAZVHFWAU-LJQANCHMSA-N 426.542 2.090 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC(F)(F)CO1 1359019763 GDTQHLMRFSWMIN-SFHVURJKSA-N 436.459 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCO[C@H]1C 1359019887 KWMLIHWPHVIYKY-YCRPNKLZSA-N 436.459 2.172 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1359215461 BYWZIIFFBSPJBZ-AEFFLSMTSA-N 435.550 2.164 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1359456171 PCVDOWQCCGVDLE-UHFFFAOYSA-N 435.454 2.027 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCC[C@@H]1CO 1359702847 KBJUAQPQWAHREF-LJQANCHMSA-N 439.564 2.173 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1359967798 BKTHGIYFHFNHSP-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)cc1 1456570734 XTDWATQCBXJTIX-UHFFFAOYSA-N 429.498 2.075 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1463305156 KLMZZXQLDVFCQO-LJQANCHMSA-N 432.542 2.278 30 10 IEEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N(CCC#N)CCN1CCOCC1 1464557990 UAACUFPQBXWOJE-UHFFFAOYSA-N 427.501 2.117 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)c1 1475280106 XTTHOJSRPSALPI-GOSISDBHSA-N 435.546 2.378 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CCS1 1499680537 HXFLVRZFEDCVCZ-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1507631417 DMCWQTWPMZXNQI-ROUUACIJSA-N 434.587 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](OC)C1CC1 1507638330 ZEKCUQMTMKXFSU-LJQANCHMSA-N 425.920 2.359 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(O)(CCC)CCC)CC1 1507715644 FYKXUBHWBOFAPU-UHFFFAOYSA-N 439.564 2.012 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1507797464 LQXBEXTXBOGTGP-BSIFCXSSSA-N 441.532 2.344 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507865130 LFGUKLDKXCIBFU-HOTGVXAUSA-N 432.974 2.302 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1508223544 JWTNIHIZNNNATR-NYVOZVTQSA-N 448.543 2.019 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@@H]1CCOC1 1509000936 PDTGJIJLSHFDSG-FQEVSTJZSA-N 439.564 2.438 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCOCC2)cc1 1509576519 BJYORAUGSACYNO-KRWDZBQOSA-N 425.537 2.040 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCCCO)cc1 1521089286 AVKZVMIEROZIQE-HXUWFJFHSA-N 437.573 2.109 30 10 IEEE N#Cc1ccc(OC(=O)c2ccnc(N3CCOCC3)n2)c(I)c1 1524881528 PTWWVXWPQDKOBP-UHFFFAOYSA-N 436.209 2.009 30 10 IEEE N#Cc1cccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1Br 1529123361 BKHZVQJUSUPASS-UHFFFAOYSA-N 429.186 2.464 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539219930 GCCMPOSQJVWOSH-WOJBJXKFSA-N 433.622 2.437 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1539469693 UPMNOSKOKYKBTO-KRWDZBQOSA-N 436.560 2.129 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nccc(C(F)F)n2)CC1 1539476465 XPQZNGUVZKVDOS-UHFFFAOYSA-N 440.458 2.015 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccsc1 1539573831 DXHODDVCOIQVCT-NSHDSACASA-N 434.385 2.495 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539752457 OSWOUSMKJSOPJM-OAQYLSRUSA-N 437.548 2.267 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)F)CC1 1539873770 DCXSPUUGKUZBOR-HXUWFJFHSA-N 427.496 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 1540634275 GDBGKODOQVKLJH-UHFFFAOYSA-N 428.533 2.185 30 10 IEEE N#Cc1c(CCCNC(=O)c2ccccc2Cn2ccnn2)nn(-c2ccccc2)c1N 1540714335 XUEVHYCEZTYSSG-UHFFFAOYSA-N 426.484 2.329 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ncn(C)n2)CCOC1 1541716397 CJHCYVDLGITOAB-JOCHJYFZSA-N 436.520 2.004 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1542754901 APFLSMWXBREVNX-LJQANCHMSA-N 431.562 2.121 30 10 IEEE COC[C@H](F)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555276614 QNUBBKZVXZQJKP-GDBMZVCRSA-N 434.466 2.308 30 10 IEEE C#C[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)c1ccc(F)cc1 1561590836 XWJPBJRFODZWMD-ZDUSSCGKSA-N 439.266 2.292 30 10 IEEE CN(CCN1CC2(CCOCC2)C1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1565005622 YBODDJRRAGCSAD-UHFFFAOYSA-N 425.577 2.276 30 10 IEEE C#CCN(CC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)C(=O)OC(C)(C)C 1568872114 SRLQEOLLFGQPBA-QFIPXVFZSA-N 440.588 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)[C@@H]2C1 1570513750 LNJBFYUEQUUTBO-CXAGYDPISA-N 437.493 2.204 30 10 IEEE CNC(=O)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)Cc1ccc(OC)c(F)c1 1585947700 VMFTZXBLIFPLOD-KRWDZBQOSA-N 435.459 2.226 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccccc1)N1CCOCC1 1588149662 ZZSQEGIZNGJKQB-DEOSSOPVSA-N 440.551 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)NCC)CCC1 1588185567 JJFDKYHQZUHUMD-DEOSSOPVSA-N 441.576 2.088 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588647844 ZGHOXNVSIFLOFF-IBGZPJMESA-N 445.564 2.435 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588813416 XNJBKNBZEYWECM-QHAWAJNXSA-N 444.624 2.163 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1594856544 GVBLMXOPVQNZHG-WMLDXEAASA-N 441.001 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(F)(F)CC1 1595812001 KAGFZWPCTZSKLV-UHFFFAOYSA-N 431.534 2.470 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595866784 WOEGKJVRPRUBLY-UHFFFAOYSA-N 441.605 2.004 30 10 IEEE COC[C@]1(C(=O)NCc2cc(F)c(C#N)c(F)c2)CN(C(=O)OC(C)(C)C)CCO1 1617380896 PRPRQGGAGZBSBR-FQEVSTJZSA-N 425.432 2.105 30 10 IEEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(COc4ccccc4C#N)c3)C[C@@H]12 1618015549 ZKWGRQNTBLUTKQ-TYPHKJRUSA-N 426.494 2.021 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)CN3CCN(c4ccccn4)CC3)n[nH]2)c1C 1618176173 RKMTUWSSVZHCEP-QGZVFWFLSA-N 448.575 2.412 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1618632962 IFYYKHWRRCAULO-OKXSDPAFSA-N 440.573 2.080 30 10 IEEE COC1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1619038473 JOFWAAKBIYRYLY-UHFFFAOYSA-N 427.486 2.087 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@@H](C)O1 1619753877 GFGIXWHRKNCPQL-VQIMIIECSA-N 429.521 2.130 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1624539238 DVZUAGALPVVHBG-KRWDZBQOSA-N 442.988 2.035 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3ccc(CC#N)cc3)CS(=O)(=O)[C@H]2C1 1628708417 LMTARNLYYCGOLY-NXHRZFHOSA-N 433.530 2.361 30 10 IEEE C#CCN(CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)C(=O)OC(C)(C)C 1628902258 BATYSJJRUZGQNG-UHFFFAOYSA-N 430.549 2.122 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C3CCOCC3)CC2)C1 1629350782 CCBDSSSTPJPLEX-UHFFFAOYSA-N 433.350 2.080 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)C1 1645273842 JCJLLNWSXBLFPW-SFHVURJKSA-N 431.492 2.324 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1649142004 ORSQNOOQECKCJM-JCURWCKSSA-N 438.468 2.216 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4cccc(C#N)n4)CC[C@H]32)CC1 1651146490 FALVJJCHXXRXNL-QZTJIDSGSA-N 426.521 2.325 30 10 IEEE C#Cc1ccc(S(=O)(=O)N(C[C@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)cc1 1660451179 DAPKNZBWDFGOSA-FQEVSTJZSA-N 430.526 2.465 30 10 IEEE CCO/C=C/[C@](O)(CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1681515772 LEEAWGBCXPWIQC-QIFITFDGSA-N 440.422 2.196 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccc(Cl)cc1 1683502360 LAUJSPALMGZQJL-SFHVURJKSA-N 427.954 2.096 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1689926513 QPFBQGCWIKHWJP-KRWDZBQOSA-N 449.559 2.297 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1689929699 CCXJYYWKUXMFJC-PZJWPPBQSA-N 441.601 2.304 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1690075746 SQIHVPPULNORSO-GOSISDBHSA-N 444.580 2.378 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@H](C)C1 1690246924 XTMJDZMXOVDIGP-WKULXVSPSA-N 440.635 2.492 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1690508577 LKDPGTOZDLYNNG-APWZRJJASA-N 426.608 2.106 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCn1cc(Br)cn1 1690622609 TTYQJMPGESQUAM-CQSZACIVSA-N 425.331 2.080 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)(C)C)CC1 1690669001 PUMXPAJPIXIQAY-UHFFFAOYSA-N 448.575 2.354 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690671024 NOGLBXDLRFHCOI-GOSISDBHSA-N 441.532 2.402 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2sccc2C)C1 1690685829 DXTKKKPOHARJAN-CABCVRRESA-N 425.580 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOC[C@@H](C2CCC2)C1 1690724710 VDKXYBBICUUJIW-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690749893 SXMBFQDNFMFEQJ-KRWDZBQOSA-N 444.609 2.462 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1692341285 FOPDSYXVOLVGHS-LJQANCHMSA-N 431.585 2.001 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1693109187 OPLDOXJMMWRSOZ-MDASCCDHSA-N 426.521 2.283 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1695505876 GFWCWNUHXOGOLF-UHFFFAOYSA-N 448.506 2.156 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1695801753 MBEZOHKQIREUKZ-SFHVURJKSA-N 436.520 2.250 30 10 IEEE COc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1697491194 BIISLCFYTIURFK-LAUBAEHRSA-N 428.468 2.149 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC[C@@H]2CCCO2)cc1 1698487568 RCDCXTCVYLAXEZ-UXHICEINSA-N 438.532 2.104 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C(C)C 1705583146 RIXGFGJXYLFAFH-LJQANCHMSA-N 440.569 2.455 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705727766 AAVUNZUPEHPQIA-UHFFFAOYSA-N 426.496 2.078 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C(N)=O)nc1 1722290003 ULXNYQCJNSBUFQ-MRXNPFEDSA-N 426.484 2.131 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1722314217 JZLZWOKMBIDMIP-XMMPIXPASA-N 447.543 2.180 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOC2=O)cc1 1722425548 CVMSGRGXGDGCHI-UHFFFAOYSA-N 446.511 2.355 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1722529367 RYOFHOAMHGVTIB-INIZCTEOSA-N 433.578 2.085 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1722566644 WEWUFAIGFSXVJP-UXHICEINSA-N 430.597 2.271 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1)C1CC1 1722643894 FSWQQUPJTADJCF-IBGZPJMESA-N 439.564 2.437 30 10 IEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1723513514 PIDJABKXWXSOKB-HXUWFJFHSA-N 449.559 2.179 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1740579610 QWYNNKYLDBZCIS-UHFFFAOYSA-N 438.576 2.469 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1740581442 XYSNOPXQTJAZIB-UHFFFAOYSA-N 440.935 2.086 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740620985 JGGIUOMIBGBLDA-DKTYTTGXSA-N 445.589 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740701581 MJSOTSACLUZKSM-HJPURHCSSA-N 425.533 2.363 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740709985 OOOPWTZNZSRWGO-GSHUGGBRSA-N 449.621 2.336 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740817729 RBUJJSGPTDYRNK-LJQANCHMSA-N 431.629 2.379 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1740951440 FZYMLOOBZDVKCI-IRXDYDNUSA-N 430.528 2.390 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1741001161 MJSQHTOXRINYNR-UONOGXRCSA-N 432.516 2.221 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1 1742298375 BYMDLEOOBYLKQB-DYESRHJHSA-N 429.546 2.413 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1746433512 DTZIOQQPPVBYMU-IBGZPJMESA-N 437.592 2.051 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1747666138 NLOLURILNQJVKP-QGZVFWFLSA-N 437.548 2.082 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1747999531 SMIXKCTWVYNKQE-LJQANCHMSA-N 429.546 2.257 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)F 1748638040 IFYRQIOJWCYGEP-AWEZNQCLSA-N 441.442 2.471 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1748745505 MZDZGAUDFRNFJM-KRWDZBQOSA-N 438.536 2.489 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1748759688 MPOSZWLXYKNFQA-JTSKRJEESA-N 443.573 2.457 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1748802895 SVIGFHQKLZUQSX-UXHICEINSA-N 430.574 2.286 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1Cn1cccn1 1748829737 IOKJCVREKANKRG-VWLOTQADSA-N 444.539 2.296 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)C)cc1 1748869325 BJBNHXCTSJNZLX-NRFANRHFSA-N 430.484 2.080 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)nc1 1748887909 IQWRPIIFXXKOTG-OAQYLSRUSA-N 445.571 2.372 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOCC)CC1 1749028690 GOBFYDRGUIOLJR-UHFFFAOYSA-N 443.573 2.199 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749031611 CMYIRVCZFFWYDG-CQSZACIVSA-N 438.479 2.211 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1749445822 YYXCRRKXKYUMMY-KRWDZBQOSA-N 433.578 2.352 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749457515 MECYUKUHCLAVDM-LJQANCHMSA-N 430.553 2.302 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1749484523 COWPHJXNDWISEX-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)cc1OC 1749670002 NGFMNZZQDMOYGD-QGZVFWFLSA-N 429.521 2.128 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Oc2ncccc2F)CC1 1749738196 INUDGEVSNNFZHW-UHFFFAOYSA-N 449.552 2.413 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(OC)CCCC1 1750030974 SXQPFZPLVRHNFH-PKOBYXMFSA-N 432.569 2.138 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(CN(C)C)c2)cs1 1751782435 IOGSIPRVZQGCJR-FQEVSTJZSA-N 437.573 2.473 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760189559 PXTJGZAANMOIGO-QZTJIDSGSA-N 431.562 2.028 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(O)cc2)CC1 1760272125 ZOOGSDJLBOPZSW-UHFFFAOYSA-N 444.539 2.178 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760282350 AUNJPVWIOJUFCG-FQEVSTJZSA-N 440.548 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)CC1CCC1 1760316030 LHXRFBDWHUCHIA-SZMVWBNQSA-N 425.599 2.496 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1760345137 KNFLBOKGWDGIRF-SFHVURJKSA-N 426.521 2.414 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCN(CC)CC2)CC1 1760381632 UBNPSQQDLMQZGI-UHFFFAOYSA-N 438.580 2.109 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760410658 MNBKDDIAPHTNRI-SFHVURJKSA-N 427.553 2.109 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1760535095 LLWUIFGHPLAJGR-GOSISDBHSA-N 433.578 2.481 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCC(=O)N1 1761036589 WNJUCIYAIJYNEB-MRXNPFEDSA-N 425.512 2.093 30 10 IEEE Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1762525437 XGCOLALCYQKCJU-VHEBQXMUSA-N 430.896 2.282 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCN(CC(C)C)C1 1762610616 DDLSCGNYVUOQDL-ICSRJNTNSA-N 437.596 2.331 30 10 IEEE CCc1nnc(N2CC[C@H](c3ccc(OC)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762964428 QZQZKCFOJITUGW-SIUCFOQUSA-N 436.516 2.369 30 10 IEEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCn1cc(Br)cn1 1764920603 LPXZGWNVOUHNOZ-QGZVFWFLSA-N 447.385 2.456 30 10 IEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1765652922 BDMSHNPZWYKPBB-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1766933517 XHDQISWTCRUVFV-QGZVFWFLSA-N 438.454 2.162 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2C)CCO1 1767725967 ASRYZTLELUWJHI-QRFRQXIXSA-N 438.532 2.116 30 10 IEEE C[C@@H]1Cn2nc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2CN1C(=O)OC(C)(C)C 1772791773 FVWBYBRDYMHLAI-GFCCVEGCSA-N 426.429 2.390 30 10 IEEE Cc1cc(F)ccc1N1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851512364 VOJMHGNEXIQKOV-LLVKDONJSA-N 435.399 2.358 30 10 IEEE Cc1c(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nnn1Cc1cccc(F)c1 1853066816 FYGRJOYHXGWJHD-UHFFFAOYSA-N 433.387 2.258 30 10 IEEE COc1cc(C)c(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1C 1854346448 ZPPIZPFPIZQWHP-SFHVURJKSA-N 430.482 2.274 30 10 IEEE N#CCC1CCN([C@H]2CCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1856547622 AADDHXCUJXNIMG-SFHVURJKSA-N 437.949 2.257 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OC)cc2)cc1 1859009839 ILEJBIZFORVCEU-UHFFFAOYSA-N 432.498 2.198 30 10 IEEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)c1 1860580980 NEMWSHKBTNXLLB-UHFFFAOYSA-N 429.436 2.397 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F 1862735088 BNNATYXBBNFRKM-GOSISDBHSA-N 427.388 2.448 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1C(=O)O 1862757999 UUQZMBMSDXBGIL-GOSISDBHSA-N 439.424 2.433 30 10 IEEE COc1ccccc1-c1nc(CC(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)c(C)o1 1866671840 SVXJUSKPQIPJIO-IBGZPJMESA-N 434.452 2.189 30 10 IEEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 1870108954 DSYZLHWYIFDEEF-KRWDZBQOSA-N 444.451 2.196 30 10 IEEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622149 CAZPNLANEGBDKW-UHFFFAOYSA-N 447.543 2.323 30 10 IEEE C=CCC1(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2(O)CCC2)CN(C(=O)OC(C)(C)C)C1 2022930311 SFFGCYJLTGCQBB-OAHLLOKOSA-N 439.553 2.477 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)C1(O)CCC1 2067742854 LWHJBXYPHMYJIC-FXUDXRNXSA-N 436.358 2.345 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2244003317 NKKSEFFJPBKZDP-HZPDHXFCSA-N 427.542 2.027 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2n[nH]c(CCNC(=O)OC(C)(C)C)n2)C1 2255161778 YTCVCMSOPWHZOQ-UHFFFAOYSA-N 448.524 2.117 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598708 YLPDWSUVDVYMKD-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255845566 JWCWZTZSXZGDOY-OWCLPIDISA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256606276 RHJIHSFUPMRKRM-UHFFFAOYSA-N 429.286 2.125 30 10 IEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999756 OSDPXEQZICYCOP-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267136788 MLHCKPXHCUJSHK-UHFFFAOYSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140434 QKDOSALZROKIMQ-FMKPAKJESA-N 446.357 2.227 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267175302 JXYGYQKRYVCOQN-INIZCTEOSA-N 446.357 2.247 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267184884 YELWGPYYWVHHNT-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)n1 2267196102 CKIWKHXQDHQJFR-NSHDSACASA-N 446.317 2.270 30 10 IEEE CCn1cc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267198438 XXLREBWEEJMUTJ-UHFFFAOYSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265831 LBNINKORRCSYTL-HOCLYGCPSA-N 446.357 2.199 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267285237 IGWJRDNBGPHCMK-PMACEKPBSA-N 438.333 2.304 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)C1 2267522867 ZEPCLJAEFDPDIJ-CABCVRRESA-N 448.373 2.474 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@H]1NC(=O)OC(C)(C)C 2267547745 BALHZLYJVOXCHW-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268714534 KVOITHWXSMJZRY-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268785024 JPXYBWUBLYGSFY-HOTGVXAUSA-N 447.341 2.080 30 10 IEEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271394642 KLVMSPDMBQZRLL-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2334264679 FITGCYPCFKIYGU-ZOBUZTSGSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2334272575 YGOPZKRDMKAFPM-LESCRADOSA-N 443.353 2.366 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)n1C 2337321528 LKYQAHDPBRXBQA-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCCCC2)SC1=S 33383576 YNSODWTZEDCBOD-WJDWOHSUSA-N 432.571 2.403 30 10 IEEE COCCN(CCC#N)S(=O)(=O)c1c(Br)cc(N)cc1Br 71223618 GIFPQLIGKZBZLD-UHFFFAOYSA-N 441.145 2.345 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472619 DXCSRYDKPZSWPK-QAPCUYQASA-N 429.436 2.377 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)cc1 96573423 ZPPFEPDHPQTHNL-MBSDFSHPSA-N 429.517 2.172 30 10 IEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccnc2)cc1 170356602 CAOYIYFEBUDFIY-QGZVFWFLSA-N 425.422 2.105 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2COCCO2)n1C[C@H]1CCCO1 461119811 AZLOMDWPHSNHSW-UXHICEINSA-N 427.505 2.070 30 10 IEEE COC(=O)C[C@@](C)(NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Br)cc1 474380263 ZGEYGJOBMIAZES-QGZVFWFLSA-N 438.303 2.473 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC(NC(=O)C3CC3)CC2)cc1 475455479 BEJMVKPIIQTNFX-NKELODKYSA-N 426.542 2.483 30 10 IEEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1Cl 482991440 HCSMXYVFUJLWSY-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 508847484 VIDDXLGZQNSGTQ-OAHLLOKOSA-N 434.338 2.423 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 522317537 RZAHDBRFKJVTCQ-AWEZNQCLSA-N 439.354 2.148 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 522538513 JBIFKAGBMINOGX-AWEZNQCLSA-N 442.537 2.218 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 542982671 QGEUVOGTJNFIKP-UHFFFAOYSA-N 426.849 2.174 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)n2)c(Cl)c1 543034926 YUSVBMSYXZKKPO-KRWDZBQOSA-N 448.870 2.258 30 10 IEEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)Cc1cnccn1 549270614 HMAVUCUZIUAXNX-UHFFFAOYSA-N 441.561 2.410 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 551486214 GOGFFPOOCDZVJN-QZTJIDSGSA-N 441.534 2.359 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)cc2C1=O 600570471 MKODLCDWMUNKKV-FQEVSTJZSA-N 433.508 2.142 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(CN3CCCCCC3)c2)CC1 604186145 PCCLFJIJEYWFNV-UHFFFAOYSA-N 427.593 2.192 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 612193381 ITAOGNMBMQYKTR-OAHLLOKOSA-N 432.492 2.485 30 10 IEEE C#CCN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)[C@H]1CCS(=O)(=O)C1 729330401 CNSUNZNKYFEWPM-GGPKGHCWSA-N 446.569 2.117 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1Cl 730404013 KIQAUVNUUIMQME-KRWDZBQOSA-N 433.873 2.448 30 10 IEEE Cc1ccc2nc(COc3cccc(C(=O)NCCN/C(O)=C4\N=CC=CC4=O)c3)cn2c1 731888406 HVFZFMLYLHANOD-ZNTNEXAZSA-N 445.479 2.478 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 732007419 UPEZUOAMZACOMR-YQQQUEKLSA-N 438.553 2.037 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1cc(C)ccc1C 735069612 XSZFJHFSASOOAM-UHFFFAOYSA-N 449.580 2.152 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)CC1 735862952 YANDFDTYXBIBQQ-UHFFFAOYSA-N 447.536 2.494 30 10 IEEE COc1cc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 751247732 IDWRQEOWALTBPJ-NSHDSACASA-N 434.743 2.472 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)c1 755484631 GCKUGKZLMVYKHQ-GOSISDBHSA-N 442.537 2.252 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1 766838885 UWCHMHKGQDCFPN-UHFFFAOYSA-N 428.466 2.329 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 767209553 PYYZPLLEZCVZAP-AWEZNQCLSA-N 438.431 2.437 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 767831474 ZGHJOCJBPCQBAN-QGZVFWFLSA-N 443.319 2.126 30 10 IEEE C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 777514349 ZTEHINGMKXSBJS-UHFFFAOYSA-N 435.933 2.193 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(C)(C#N)CC2)c1 780778955 ILHBIOVWYJWAME-UHFFFAOYSA-N 444.351 2.140 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n([C@H]3CCOc4ccccc43)c2=O)c(C)n1 781662662 DMPSYMMCJZZMFQ-IBGZPJMESA-N 444.516 2.329 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCC2CCS(=O)(=O)CC2)C1=O 790760483 XQGDWIPXYJLIGY-CQSZACIVSA-N 429.589 2.031 30 10 IEEE COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c(C)cc1F 794033440 NABNCVKTKZEUEX-LBPRGKRZSA-N 440.474 2.407 30 10 IEEE C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 795329425 OWXONCNNTQCHKT-IEBWSBKVSA-N 443.569 2.497 30 10 IEEE COC(=O)c1ccc(Br)cc1CON=C(N)c1ccc(S(C)(=O)=O)cc1 800868015 JKRFEJQFMKKJNA-UHFFFAOYSA-N 441.303 2.476 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CCCN(C)S(=O)(=O)CC)c1 803195440 ITLOUMIKYIUDRU-UHFFFAOYSA-N 444.586 2.230 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 916776100 TZSVJFCVOZYHBK-UHFFFAOYSA-N 427.482 2.248 30 10 IEEE COC(=O)c1ccc(CS(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 920335024 KDEWJTPIXKOVEC-UHFFFAOYSA-N 427.438 2.297 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1nc2ccccc2s1 1083906977 OXVZAIGNEUWHGL-UHFFFAOYSA-N 440.514 2.484 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ccc(O)cc2C1 1148626785 CPNMOGFRKPFCJF-SFHVURJKSA-N 443.525 2.267 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1150665080 HDQBRERCZRZWLV-UHFFFAOYSA-N 448.570 2.010 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1155358638 ARQGCJJPLQNYKH-UHFFFAOYSA-N 449.573 2.460 30 10 IEEE C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)CCn1cc(C#N)c(O)nc1=O 1160374188 IHZZNKBEZZGWLO-KBPBESRZSA-N 449.433 2.355 30 10 IEEE C#CC[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1167951681 BEYNHJAJOKGKSC-FXAWDEMLSA-N 432.586 2.389 30 10 IEEE C=C[C@](C)(CCOC)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175428677 RQLONQMVHMKQFF-DVSDUFGPSA-N 437.537 2.256 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](O)CC3(CCOCC3)C2)n(Cc2ccco2)c1C 1175642890 DPQYFQVOLZPBDS-SFHVURJKSA-N 426.517 2.420 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OCC 1194187520 UHBQPPOIUYMCQT-SFHVURJKSA-N 436.534 2.267 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)OCC 1213546977 YCBHCCGAKHNPJS-AWEZNQCLSA-N 434.308 2.412 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H]2CCc3ccccc3NC2=O)c(C#N)cn1CCOC 1216501667 BRAXYDOTBVEAEP-KRWDZBQOSA-N 439.472 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1286299537 WTKBUIUXDSGJFV-HKUYNNGSSA-N 438.557 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286387348 CUEPNCIUNBTQPV-KRWDZBQOSA-N 427.555 2.385 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286397658 UAFHEEVSPDVOER-OKZBNKHCSA-N 444.557 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286459055 JIUNXKHGDRSPOC-INIZCTEOSA-N 436.516 2.145 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccn(-c3ccc(F)cc3)n2)CC1 1286484020 FVQOKXWISTUZBX-UHFFFAOYSA-N 437.523 2.137 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)C)CC1 1286566685 SQWFHWTXQOGGEO-GCJKJVERSA-N 430.597 2.349 30 10 IEEE C=C(Cl)Cn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1286636620 YXKIISWXLYZGEQ-MAUKXSAKSA-N 434.990 2.331 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)C 1286740937 BNTAMKYFDHLCPX-UHFFFAOYSA-N 432.532 2.292 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(CC)C1 1286822945 PQTBBYHDFVCJTA-LJQANCHMSA-N 439.607 2.240 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286827657 WBHQQHBOVSQGMM-SFHVURJKSA-N 446.602 2.254 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1286881693 BALNPLCTFPHFBX-UHFFFAOYSA-N 448.531 2.062 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2C#N)CC1 1286964029 VOVFBRFQRDIRNQ-UHFFFAOYSA-N 444.543 2.373 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(N3CCCCC3)c2)s1 1291653852 OFEJUZXPORDPSQ-UHFFFAOYSA-N 434.587 2.457 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1292704353 UYJNXKQFOGGOBE-IEBWSBKVSA-N 445.568 2.156 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1298499170 CCMGZBRTKXZMPH-GCJKJVERSA-N 441.557 2.159 30 10 IEEE C#CCN(C)CCCNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1298677381 UWTAWXMUCADFGX-GOSISDBHSA-N 431.533 2.441 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1300428577 JCQBCKGKRNLFPW-GOSISDBHSA-N 425.537 2.448 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300487251 IKSPXJBBJLUHFW-CYBMUJFWSA-N 447.508 2.163 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300760852 IHJMADXKUXNJDE-SFHVURJKSA-N 434.610 2.470 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cscn2)CC1 1300843784 FUIPFSSJMVSFTG-UHFFFAOYSA-N 447.366 2.422 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCCOC)CC1 1300892398 RQWFXCXLPWNZHF-TZIWHRDSSA-N 431.581 2.191 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1301010032 RGJALKKQUXDYNL-HXUWFJFHSA-N 445.589 2.357 30 10 IEEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301182738 KRRHWZSDLAJLTM-UHFFFAOYSA-N 425.537 2.271 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1cccc(F)c1)C(C)C 1301509288 FQQVOBISVTXVLM-UHFFFAOYSA-N 428.512 2.257 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1302248932 ZHFVEDZUDCUAHZ-FPOVZHCZSA-N 435.532 2.486 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)CCCN2C 1303804934 WFVLZFGHIJCFIN-CVEARBPZSA-N 445.593 2.057 30 10 IEEE Cc1ncsc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1304069870 CJYUFWIUEIJFRD-MRXNPFEDSA-N 434.591 2.318 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1312418757 YXQKDJSVHFPORT-IBGZPJMESA-N 437.537 2.241 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1314950441 HHCOYZNACLWFFA-CYBMUJFWSA-N 428.447 2.275 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(OCC#N)c2)cc1 1326197468 PVPRNAYWLTYOGW-UHFFFAOYSA-N 437.543 2.002 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1349660997 OTHOSANZIJFTPG-LJQANCHMSA-N 442.497 2.434 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCN(Cc3ccccc3)C2)c1 1355997006 MTVHTHUWBGRRBT-QHCPKHFHSA-N 431.536 2.382 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358960178 YVMLNPPPPBGIDX-LEWJYISDSA-N 441.601 2.446 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1359026233 PBOLSHXLJHZGNA-NQIIRXRSSA-N 431.562 2.058 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C)ccc2OC(F)F)CC1 1359034387 OMUAHSUTLDTPPU-UHFFFAOYSA-N 441.486 2.392 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1438153905 MYBZRNOSIGVECK-OAHLLOKOSA-N 427.482 2.309 30 10 IEEE COc1cc(NC(=O)CNC(=O)COc2cccc(Br)c2C#N)cc(OC)c1 1457333305 CQPUVADBZMEKOJ-UHFFFAOYSA-N 448.273 2.472 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1469673954 FEIYVVCCDXYIFP-SFHVURJKSA-N 440.569 2.314 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc43)C2)nc1 1470280736 ORAJGVXSZOTEIV-IRXDYDNUSA-N 425.514 2.110 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(C)cc(O)n2)CC1 1471911488 NJCPVQMHDDKIGF-CQSZACIVSA-N 425.917 2.175 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)s1 1472052063 YDPVCRTUHWESTA-CQSZACIVSA-N 443.591 2.223 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](NC(=O)N(C)C)C2)n(Cc2ccco2)c1C 1473540821 BRXHRQQKTQLUHJ-QGZVFWFLSA-N 426.521 2.292 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)ccc2OCCOCC)CC1 1475697603 OFCAXYQFRXXDSF-UHFFFAOYSA-N 445.379 2.240 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@@H]2C)cs1 1492674204 NDOUGJTZPPEVQE-INIZCTEOSA-N 429.594 2.485 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1503899885 AKTQKWGFQYGLTF-UHFFFAOYSA-N 428.493 2.042 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)c(F)c1 1507713273 CYZRCQZFPQMYLS-UHFFFAOYSA-N 426.496 2.422 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1507733211 PXRPIGCWCMHDDH-OAQYLSRUSA-N 447.992 2.130 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1507750479 WKQUDASYICOURV-SFHVURJKSA-N 437.577 2.226 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(N)=O)c1 1507770042 GAWUCUBEUBXZPD-XMMPIXPASA-N 431.544 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507806139 RITIOKJJWZUPAI-ZJOUEHCJSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1507849076 UOOMHXNCFHCTQH-IBGZPJMESA-N 440.548 2.280 30 10 IEEE C=CCCCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507936264 ZMPOLJOSHLLNEM-UHFFFAOYSA-N 428.581 2.452 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1507962317 QDQJDBKJVLVSTG-KRWDZBQOSA-N 437.504 2.107 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@](C)(CC)O1 1508040354 WQDDKGFFYQZFPZ-FUHIMQAGSA-N 426.583 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1508148409 HFJUCACLLJPHMI-HKUYNNGSSA-N 434.562 2.382 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1508261160 PWDPNICYJSZVQB-UHFFFAOYSA-N 426.521 2.212 30 10 IEEE Cc1nnc(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)s1 1511733159 CZDJDCLSEPBYRF-ZDUSSCGKSA-N 425.522 2.457 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CC=CCC1 1513026316 KNRLCSVUXDWGDY-MOPGFXCFSA-N 435.580 2.430 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C[C@@H]1C 1517710667 PLUZJSHDNPCKDM-INIZCTEOSA-N 434.504 2.070 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1527040042 FUVUBTJWKPUCKX-RUZDIDTESA-N 445.523 2.106 30 10 IEEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539053677 XPBAXPOOUITYGK-GOSISDBHSA-N 434.585 2.436 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539117491 ZMEKCKRGULOHFU-INIZCTEOSA-N 426.521 2.162 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCOCC1 1539154812 LFSNERJOVSJPQG-UHFFFAOYSA-N 435.370 2.228 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539237508 FTUZCSCXSNHBJZ-NBGIEHNGSA-N 447.539 2.056 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1539359556 KBFMOWYNWDTDRG-UHFFFAOYSA-N 430.530 2.143 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N(C)C 1539402729 IBMFMARAHOOECJ-UHFFFAOYSA-N 438.301 2.021 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCn1cc(Cl)cn1 1539406183 VTBSDHBQRQQPQE-UHFFFAOYSA-N 428.880 2.310 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C)C1 1540865028 SEYSEMNPYDTXBE-LBPRGKRZSA-N 438.301 2.374 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NC)C1 1540894206 SIUFDCNIJYYXQS-GOSISDBHSA-N 437.548 2.070 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1541030511 JHRMMAJWLVSVBR-UHFFFAOYSA-N 425.489 2.287 30 10 IEEE CCn1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1547628246 NWOMTZFSADDVKU-FQEVSTJZSA-N 427.509 2.306 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C[C@H](C)O1 1555405468 LEBZNVNZGJVLGU-LAUBAEHRSA-N 439.516 2.316 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 1557978102 PPODBDLJOCVDPS-UHFFFAOYSA-N 445.838 2.338 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 1558114289 SVKMNEAFRQHDON-ZWKOTPCHSA-N 442.459 2.415 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2cc(C#N)ccc2=O)cc1 1559423006 AJBWTMSEPVFYKM-UHFFFAOYSA-N 436.493 2.179 30 10 IEEE COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NCC(=O)NCc1ccc(C#N)cc1 1560121895 LWNFATXNMXFXGG-SFHVURJKSA-N 435.402 2.447 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)C1 1565346846 YWYPVIPOWINVDZ-IAGOWNOFSA-N 428.562 2.284 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC 1568154793 RNCXJCRAUVSTMJ-PMAPCBKXSA-N 432.517 2.472 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccccc1F 1587620436 DZUCQOJQDSYSDF-AWEZNQCLSA-N 438.463 2.033 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1588041209 VUZKRGMTWQIYMZ-RBUKOAKNSA-N 445.589 2.205 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCCC2)cc1 1588628510 KIXOHVDJZKBEFQ-UHFFFAOYSA-N 433.560 2.409 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1588800443 GZPWTDKBQLBSII-UHFFFAOYSA-N 442.449 2.147 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589037096 UXIGBRNPNCFGAB-SFHVURJKSA-N 438.557 2.078 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1589544969 LEYGBOCKNBMVNN-OWSLCNJRSA-N 438.594 2.023 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1594023489 JVMKHGXTLUTCNZ-QPPBQGQZSA-N 446.640 2.360 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1595516253 COWKTBORZTYGAR-NRFANRHFSA-N 428.468 2.097 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1595543867 ATHQDHAMBFVFCI-NHCUHLMSSA-N 438.576 2.185 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)n(C)c2)C1 1595982145 XEIZHRQXWDEVAQ-BEFAXECRSA-N 426.542 2.215 30 10 IEEE CC(C)COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1607729612 WJHQHOMULXTJBV-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1611319773 NJIKBHQKNCDSKZ-HCROLABASA-N 445.568 2.265 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(=O)(=O)CC 1613108008 FDORASLJVOOGNA-HRAATJIYSA-N 433.578 2.485 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1617213797 HZYMMIZGIWCYIH-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC=CCC1 1619899813 IWVAGKYOHVJQKP-OAQYLSRUSA-N 449.559 2.016 30 10 IEEE Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 1624826638 HVCMNBHAOQQTHY-UHFFFAOYSA-N 437.426 2.447 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(OC)c(OC)cc2I)CC1 1628350775 MIDGYLBVLZYHLV-UHFFFAOYSA-N 428.270 2.090 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cc1 1635216053 MKSGXLGNDTWEAH-UHFFFAOYSA-N 447.557 2.260 30 10 IEEE C[C@@H](CC(=O)NCc1cnc(Br)s1)/N=C1/NS(=O)(=O)c2ccccc21 1635333420 FYNWXPPYTIFXIN-VIFPVBQESA-N 443.348 2.039 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(OCCO)CCC(C(F)F)CC2)c1 1636328737 AYWPVQNOTGXNFA-UHFFFAOYSA-N 443.512 2.416 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1)c1ccc(Br)cc1 1636561604 DIGQPOQOVMWWMQ-XJKSGUPXSA-N 428.352 2.094 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1641910565 NFCYINYPDJHQPP-KZULUSFZSA-N 437.294 2.085 30 10 IEEE CCOC[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 1644093580 DDGGTOQBFJRTKY-QZTJIDSGSA-N 430.549 2.093 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1644462378 NJFDGKDJDNVKMR-KRWDZBQOSA-N 448.589 2.124 30 10 IEEE C#CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 1645543861 LZIUZTQHNILUOE-KRWDZBQOSA-N 429.542 2.408 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)c(C)c1 1648962821 ADQJHEWWAPPIEN-UHFFFAOYSA-N 432.590 2.070 30 10 IEEE C#CCN(C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649382802 MIJAKZDHKXYUKU-LSDHHAIUSA-N 431.455 2.305 30 10 IEEE Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(C#N)c(Br)c3F)CC2)cn1 1651557019 FKKZTNUWNVSYPB-UHFFFAOYSA-N 442.314 2.459 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccccc2C(C)(C)C)c1=O 1652995189 BVYRMJBXTKPASI-UHFFFAOYSA-N 440.500 2.160 30 10 IEEE COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N1CCN(C(=O)CC#N)CC1 1658692928 HZXYEXFKMVLEPX-CQSZACIVSA-N 442.438 2.115 30 10 IEEE Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1662364794 FVPNVYZLDOXAHZ-AWEZNQCLSA-N 425.304 2.347 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)c1c(Cl)cc(C)cc1Br)C(=O)OC 1663038249 XBIREVHPYRUHLH-LBPRGKRZSA-N 426.716 2.433 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1ccc(Br)cc1)c1nccn1C 1663225276 CROAQUCYDJPDQC-WFASDCNBSA-N 426.340 2.340 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)C1CCOCC1 1674597232 PKHHMOVPEHZJNS-DLBZAZTESA-N 429.521 2.002 30 10 IEEE CC1(C)CCN(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1676710476 PCDSZVPHGAQRIF-UHFFFAOYSA-N 427.528 2.429 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(F)(F)F)CC1 1689926293 MFFIIDXQPCWSOL-UHFFFAOYSA-N 438.454 2.494 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC)C2)CC1 1690150242 AFCCBPFLMJSCQJ-JOCHJYFZSA-N 448.615 2.371 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690188807 PRMXLUNOFAGOOT-IUKKYPGJSA-N 430.597 2.296 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690319728 WUTRXFDOWOEQNX-GOSISDBHSA-N 434.562 2.382 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)C1 1690812174 HTLBVOFLIYEELG-WBVHZDCISA-N 443.577 2.266 30 10 IEEE Cc1occc1CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692927871 OSGSEOXRILTFML-UFVMTTLYSA-N 440.504 2.236 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1696905607 UPZLQSMKJNNVBN-QGZVFWFLSA-N 440.548 2.221 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)COCCO1 1697611725 DVSVTAIIIFWNEM-SFTDATJTSA-N 431.468 2.113 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1705476809 FNYJMXJCWIPRNE-BZSNNMDCSA-N 448.593 2.166 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1705516417 AXHJVXHFEVKUCL-GOSISDBHSA-N 447.630 2.367 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1705549808 JAISFIWDWICSJZ-QFIPXVFZSA-N 438.557 2.173 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1Cc2ccccc2C1 1705598437 JURADYDCZGCDKP-QFIPXVFZSA-N 436.581 2.448 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C(C)(C)C)cs1 1705628069 WYYCVIAUSLCAKF-OAHLLOKOSA-N 430.578 2.312 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1C 1705714048 BZMFWTMBHZMCCB-UHFFFAOYSA-N 433.520 2.254 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1705879714 IXXRLFLRHSNZAF-OAHLLOKOSA-N 448.574 2.217 30 10 IEEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1=O 1710258986 VHZCRZXTBLYGOW-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE CN1CC[C@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@](C)(C#N)C2)C1 1711276270 RLGFYFDQNCLITE-FCHUYYIVSA-N 430.503 2.344 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1712887717 QHVWSBAGCOSYBK-IXDOHACOSA-N 430.459 2.254 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cn(C2COC2)nn1 1722355121 DOCAOPZYZVIEPH-UHFFFAOYSA-N 448.314 2.444 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc2c[nH]nc2c1)[C@H]1CCS(=O)(=O)C1 1722365274 DLGCYAWLUZZMOX-IBGZPJMESA-N 440.573 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC1CC1 1722395324 YYNNBWVAPBWCGM-UHFFFAOYSA-N 443.349 2.035 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H]1C 1722405547 MSOQOOUSXKBYIO-KRWDZBQOSA-N 443.621 2.490 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1722677320 ZXABVPWBQFKQKO-GOSISDBHSA-N 444.561 2.213 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1722679930 QAJNBXGIKRGFFM-MRXNPFEDSA-N 447.923 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nc(C)cs3)CC2)nnc1C(C)(C)C 1722731197 GLLUDPIXJFZOSP-UHFFFAOYSA-N 438.623 2.268 30 10 IEEE Cc1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1724789962 FDXSMMNCOWWTTG-LAUBAEHRSA-N 446.577 2.406 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1728646705 QATDAKLWWPXTRL-UHFFFAOYSA-N 441.536 2.298 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1729039515 BGKYGYTVGUOOAT-JOCHJYFZSA-N 428.512 2.443 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740544109 CPTQHMUKQAQTOJ-LJQANCHMSA-N 432.576 2.327 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@@H]1CCOC1 1740551771 LVZRIWRNOPYTFE-AZUAARDMSA-N 439.564 2.106 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740566975 LWJVRWLACKKPCB-OALUTQOASA-N 436.626 2.004 30 10 IEEE C#CCCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1740579563 UEVGKWKMCYAFIS-QFIPXVFZSA-N 431.537 2.201 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1740609054 HDSQRZWUEKKOJV-LLVKDONJSA-N 429.365 2.122 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740612152 HLLWOKIDUZMASR-UHFFFAOYSA-N 444.586 2.002 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1740628709 ZSAMDYRMPHVWBT-MJGOQNOKSA-N 448.976 2.305 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740631735 UMMZOKDNYUKPEW-JYJNAYRXSA-N 445.511 2.330 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1cccc(CS(C)(=O)=O)c1 1740652105 RTRLRYIMKBYHDS-UHFFFAOYSA-N 435.553 2.339 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 1740653830 ZLBLRMRTHWIPID-NRFANRHFSA-N 427.512 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1COCCO1 1740659353 LWBNVBOHORMWCM-SFHVURJKSA-N 426.542 2.457 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1 1740951636 JZYJWZAMFXODOD-MRXNPFEDSA-N 448.980 2.105 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1741802409 IDLFGCSIYSLUPJ-YJBOKZPZSA-N 445.545 2.354 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@](C)(O)C1CC1 1747187253 GAIYJUDUZLCPTP-QFIPXVFZSA-N 428.512 2.313 30 10 IEEE COc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1OC 1748806802 CUHDIDYJCVLNMG-BTYIYWSLSA-N 431.468 2.298 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748825205 WNUNLFZTSJSLIY-BZSNNMDCSA-N 444.557 2.148 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(C)(C)O 1748843024 YDCBBEKLBIHPJP-UHFFFAOYSA-N 432.528 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC(C)(C)C(=O)NC 1748858658 GOYVXUKHBMAZTL-UHFFFAOYSA-N 425.558 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl 1748888620 ZXDJLQDAPKDGOU-XMSQKQJNSA-N 425.920 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCC(=O)NC1CC1 1748892834 XFJAHGIXVUDKJA-OAQYLSRUSA-N 433.512 2.312 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2scnc2C)CC1 1748999437 VYCAXYHMXVOUBO-UHFFFAOYSA-N 447.568 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1749009839 LXNBZYLEJGAQLZ-NJDAHSKKSA-N 443.592 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC)OC)CC1 1749017040 UDDBOFPCCZFXRM-GOSISDBHSA-N 430.578 2.025 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)Br)CC1 1749286268 GZYRBKBCTHXCRM-JTQLQIEISA-N 428.303 2.032 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCCOC1 1749649764 ABGTXOCVJUITEI-SFHVURJKSA-N 440.548 2.312 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1752747298 LXCDPONMBQZFPQ-HOTGVXAUSA-N 434.566 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCCOC 1760115073 YMPDERDLDWDVBC-HKUYNNGSSA-N 425.533 2.459 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760192165 RLTXJKFCVYWNBP-FHWLQOOXSA-N 428.558 2.182 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1760277490 MERZDZZOHXBMMB-MRXNPFEDSA-N 429.546 2.044 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760351651 JEMYNZWMJNKQKZ-GOSISDBHSA-N 440.548 2.407 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OCC)CCOC1 1760416127 VHSZPNNGPWFPII-QHCPKHFHSA-N 442.564 2.189 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1760431894 CYDKXEBAHSLOQX-AWEZNQCLSA-N 433.582 2.213 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1760484687 HQPAXPRBJILSNG-VGSWGCGISA-N 426.496 2.039 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C2OCCO2)c1 1760500588 OYTHLHMXNOUFTR-UHFFFAOYSA-N 441.532 2.247 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F 1760504061 UQBZLTSUZRMEGC-AWEZNQCLSA-N 427.402 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCC2=O)CC1 1760515627 PRQYJPPVPIFIFC-UHFFFAOYSA-N 442.951 2.492 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CC)c2)C1 1760538583 UYRSIPLLOOVOGA-DENIHFKCSA-N 430.553 2.365 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1761620956 YCBQBWVPMKRXSD-VZCXRCSSSA-N 435.488 2.348 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1767178622 SIQKWWNXJQSCDH-QFIPXVFZSA-N 441.536 2.298 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1)C(F)(F)F 1768054143 DPIFZPCVCQNVGV-OAHLLOKOSA-N 427.452 2.353 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)c1cc[nH]n1 1768313848 CCFGXRONGLKQNS-CYBMUJFWSA-N 442.911 2.356 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)C[C@H]1OC 1771341843 HUHVPMWAVOIANS-KDURUIRLSA-N 427.436 2.359 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)(F)C(F)F)c1 1771532110 POYHBCHOXBDQIM-HNNXBMFYSA-N 438.385 2.463 30 10 IEEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)CCn1nnc2ccccc2c1=O 1848872727 GMLNUORBRQDNKQ-UHFFFAOYSA-N 439.273 2.190 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC(COc3cc(C#N)ccn3)CC2)cc1 1849534363 SVSYOVRNJAIFQA-UHFFFAOYSA-N 443.525 2.443 30 10 IEEE C[C@@H]1CC(=NC(=O)c2ccc(N3CCS(=O)(=O)CC3)cc2)NN1c1ccc(Cl)cn1 1852081559 KCQHRYRJCKONKT-CQSZACIVSA-N 447.948 2.312 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1852552379 ZKWMWFLJHGXLEU-UHFFFAOYSA-N 446.511 2.216 30 10 IEEE CN(C)c1ccnc(N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc2F)c1C#N 1853241840 SBHGTESTHBHLNC-SFHVURJKSA-N 431.493 2.247 30 10 IEEE C=C[C@@H]1CCCCN1[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 1854558078 DHGSKKCHHZMOQR-QUCCMNQESA-N 433.574 2.499 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1856093098 YIMOUZHGOFJPAB-UHFFFAOYSA-N 437.827 2.275 30 10 IEEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1856510287 RSTKLHXDVIGAKC-ZWKOTPCHSA-N 430.574 2.223 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862737844 MSQRUIIUCMMMOJ-GTNSWQLSSA-N 427.369 2.462 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866730421 VORSCSQEAQEQOB-VQTJNVASSA-N 435.480 2.329 30 10 IEEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCC(CO)CC2)cc1=O 1870562765 VHJRLUBGMMMDAV-UHFFFAOYSA-N 426.513 2.152 30 10 IEEE C=CCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(I)cc1 1871115216 UOIPGNMPLDWLHF-UHFFFAOYSA-N 439.253 2.115 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)c1 1874309399 UBMWMMYKVOPHCH-FSJBWODESA-N 441.513 2.246 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@@H]2OCC[C@H]21 2060721718 TZGAMLSSUONISK-CGXNFDGLSA-N 440.544 2.390 30 10 IEEE CC(C)(C)OC(=O)N1CCC=C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2062100336 KCWQLISBNFXJBE-OAHLLOKOSA-N 430.314 2.280 30 10 IEEE C=CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)C(=O)OC(C)(C)C 2124707792 HAOIIJPKONWGBQ-UHFFFAOYSA-N 448.339 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CC(Oc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2232318235 KKSAGBFNAWBMDJ-QGZVFWFLSA-N 445.369 2.453 30 10 IEEE C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247832755 USMZUOGVDXHKIA-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CC1 2247917007 APJXTAKNWDFYBP-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCC1 2255605234 PEOXWXXKNWKMAH-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C 2255611053 RCQWYEFIIXHIMS-CQSZACIVSA-N 436.362 2.187 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 2255633590 DMECCIKOAWHVBZ-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255821564 DNMUKWDLVCHMNP-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE CO[C@@](C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)COCc1ccccc1 2255825537 BDHIFQRTKDAQGO-QFIPXVFZSA-N 429.326 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870953 PIFAUHDOFJBTMY-HUUCEWRRSA-N 431.342 2.271 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(C)CN(C(=O)OC(C)(C)C)C1 2255872711 BWDJBAMJXMQEPL-UHFFFAOYSA-N 433.358 2.311 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256596482 ZKQNZDFEIJMHRU-QGZVFWFLSA-N 434.342 2.142 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2256922924 FNMNYLOAUXROFS-OAHLLOKOSA-N 446.334 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258956847 HTMNGDITVGLZPY-ZHRRBRCNSA-N 434.342 2.154 30 10 IEEE C=C(CNC(=O)[C@@H]1CCCN1C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2259188593 VJFAGHGKWPIEIN-KRWDZBQOSA-N 435.374 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267142540 WBFCXNVAUCGPMC-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CCc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267143808 NCQARLDBRRVVDK-GOSISDBHSA-N 438.381 2.286 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267194154 BKOBYKAFXIMSGH-IBGZPJMESA-N 438.381 2.422 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267243712 ZMVNWIXTIZUNJV-MSOLQXFVSA-N 446.353 2.316 30 10 IEEE Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528572 SCNWQDYZALZTSQ-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267540535 XVNWHDVMTGYOCG-MSOLQXFVSA-N 438.381 2.454 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267552936 WOZOJXWMJGPCNA-GOEBONIOSA-N 446.357 2.294 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271389936 VEOOZPKITPGUAQ-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2282017657 MYJSCAUDTIFVIM-UXHICEINSA-N 448.376 2.370 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2315694378 YKQCVBXAWLOSRF-YEJXKQKISA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2318644692 GHGPVFHOXQJOQL-AWEZNQCLSA-N 442.268 2.088 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2319670042 DEVKAHYNVHTGDG-CQSZACIVSA-N 435.334 2.111 30 10 IEEE Cc1cc(CN2CC(O)(CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2320590690 OJFUZCZKYASIER-UHFFFAOYSA-N 432.370 2.366 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2327892774 METGWTFLGPBVGK-INIZCTEOSA-N 445.545 2.447 30 10 IEEE CN(C)c1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327904382 LUCDNCUZGKYCSG-MRXNPFEDSA-N 430.578 2.425 30 10 IEEE C=CCOc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329013369 CTSAVPMEXCQPNQ-MRXNPFEDSA-N 442.545 2.027 30 10 IEEE CS(=O)(=O)C1(C#C[C@H](NN)c2cc(Br)sc2Br)CC1 2342084101 ITFJZDQOMPDPIB-QMMMGPOBSA-N 428.171 2.358 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1 20527446 BUIXLYPDGANHIL-GZIVZEMBSA-N 449.443 2.161 30 10 IEEE C=CCn1c(=O)c(=O)n(CC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 33268716 KCCHYBDGDUYRDQ-UHFFFAOYSA-N 432.524 2.130 30 10 IEEE C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 430936377 UQKHISUWEQRLDK-VMXDCPSBSA-N 426.517 2.027 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 438610554 DDACKIQJQQMHLE-UHFFFAOYSA-N 428.514 2.324 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NCC(=O)N2CCC(C(=O)N3CCCC3)CC2)n1 447036671 GIVZHMFHEZZABM-UHFFFAOYSA-N 440.935 2.670 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460928157 ALUWCMIUKIMWFW-NRFANRHFSA-N 438.576 2.219 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)N(C)Cc3ccco3)cc2C1=O 486047730 WYEWHRFNHLMCEF-GOSISDBHSA-N 439.493 2.235 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 503157821 QDQMRLQQUCEVTG-NRFANRHFSA-N 430.461 2.141 30 10 IEEE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCN(C(=O)CC#N)CC1 503628088 ORPKLAMLASCUBU-UHFFFAOYSA-N 447.417 2.275 30 10 IEEE CC1(C#N)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 506047731 PBLNKZQIZYTXLV-UHFFFAOYSA-N 430.574 2.376 30 10 IEEE C=CCn1c(N2CC[C@H](n3cc(C(=O)OC)nn3)C2)nnc1C(F)(F)Oc1ccccc1 508997281 JDZHAZNMBGSXBJ-AWEZNQCLSA-N 445.430 2.422 30 10 IEEE Cc1c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cccc1S(N)(=O)=O 513821476 JKJWQYRHRJQJQF-UHFFFAOYSA-N 426.498 2.005 30 10 IEEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 517662563 ZVODMISBFYPAPT-IBGZPJMESA-N 436.537 2.317 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4noc(C(C)(C)C)n4)CC3)cc2C1=O 524572120 JXORXUBTJCCVIR-UHFFFAOYSA-N 437.500 2.107 30 10 IEEE CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1 524938106 NCFHGKIDZLQLFP-HKUYNNGSSA-N 443.573 2.476 30 10 IEEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 560560683 VPCATZWVLUNUCT-UHFFFAOYSA-N 436.447 2.380 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 571583521 LBBSWQHKNIBWDR-VQIMIIECSA-N 437.562 2.182 30 10 IEEE COc1ccc(CC2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 583722803 OARBXKZEBAQWIT-UHFFFAOYSA-N 427.526 2.326 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 609113301 CHJBFMODTLRMJR-MRXNPFEDSA-N 426.904 2.444 30 10 IEEE CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1C(F)F 611434989 QMKSRWXWECNYCV-UHFFFAOYSA-N 425.388 2.293 30 10 IEEE C#CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)[C@H]1CCS(=O)(=O)C1 729332741 WNKAEINXZOVSML-KRWDZBQOSA-N 446.598 2.173 30 10 IEEE Cc1nccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)n1 730143089 SZZUZKGFLSBTQW-IBGZPJMESA-N 440.573 2.293 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1 732649365 GYAWMULIJUDIGG-FUHIMQAGSA-N 430.574 2.166 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(=O)[nH]c21 754381038 ZLLQUTQPSATFGL-TUYSUELWSA-N 440.504 2.290 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N3CCOC[C@H]3C[C@@H](O)c3ccco3)CC2)nc1 756700722 VJKFSGSMNFGWAC-RTBURBONSA-N 425.489 2.049 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 758152103 QNYRMNICKAQKQD-MOPGFXCFSA-N 432.569 2.369 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)n1 760778018 PRVJNNHGRJKGGX-UHFFFAOYSA-N 436.493 2.483 30 10 IEEE C[C@H]1CN(c2ccc(NC(=O)CN3CCN(c4cccc(C#N)n4)CC3)cc2)C[C@H](C)O1 760913839 WGDVUSITUZVIDU-OALUTQOASA-N 434.544 2.328 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C 762312589 MHMUTFQZFDHKLD-OAQYLSRUSA-N 427.526 2.396 30 10 IEEE Cn1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2C#N)n1 765541814 FCTSOWMVKUTKHK-QGZVFWFLSA-N 446.496 2.242 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1cccnn1 766404565 KGQJCTIHYLDTNQ-LJQANCHMSA-N 440.573 2.375 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2nn(C(C)(C)C)cc2C#N)C1=O 771394428 FOVPJTDKPSAILA-QFIPXVFZSA-N 438.488 2.233 30 10 IEEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC2CC(C)(C)C2)C1=O 780322888 OGMZIPVJULYBBI-JEOADQEBSA-N 445.633 2.428 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 780857531 WYZCJKVXRSXTHF-HXUWFJFHSA-N 446.429 2.393 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 789322295 DTJOLVFWQNRCSD-FQEVSTJZSA-N 439.537 2.059 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2ccccc2OC)CC1)c1cc[nH]n1 789973515 HHNVQVPQQWOFIG-UHFFFAOYSA-N 428.489 2.183 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790297204 YZPFBFYCWCSLQM-OXQOHEQNSA-N 429.583 2.120 30 10 IEEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 802619427 BTZHEJWWPZXVJL-UXHICEINSA-N 427.505 2.242 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 804875652 RBPDPYJVMRJPFW-SFHVURJKSA-N 447.582 2.203 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cnc21 920804308 PAPVRYSHHJTQQN-SNVBAGLBSA-N 426.408 2.408 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1O 1084245727 ZHXFVPGPHFWXFP-CYBMUJFWSA-N 441.517 2.122 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2ccn(CC(F)(F)F)n2)c1 1125125682 LAWKVTCOFBZVJX-JLPGSUDCSA-N 443.451 2.439 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1126964750 ZGTQOQDTLSWEJM-YJBOKZPZSA-N 428.938 2.163 30 10 IEEE N#Cc1c(NC(=O)c2cc(Br)ncc2Br)nc2n1CCOC2 1134818433 YSPUPWMFCJHENY-UHFFFAOYSA-N 427.056 2.457 30 10 IEEE O=C(CCOCC(F)(F)C(F)F)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1134997522 XBMUKKKMTVQKES-BXKDBHETSA-N 429.354 2.262 30 10 IEEE COc1ccc(Cn2nnc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2C)cc1 1135332051 DPPQBAJOAWSTID-UHFFFAOYSA-N 430.512 2.473 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)s1 1137734599 SFZAFPFLHFBRBP-UHFFFAOYSA-N 436.481 2.166 30 10 IEEE C=C[C@@H](COC)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1138582913 QJFFVCFUFQAQDC-BTYIYWSLSA-N 437.496 2.086 30 10 IEEE CN1CCN([C@H]2CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)CC1 1138618640 IBVRVUGBMGRPKK-OYRHEFFESA-N 425.577 2.388 30 10 IEEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1 1141017294 GIBYZKKCLGTEEG-UHFFFAOYSA-N 426.416 2.312 30 10 IEEE C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 1157534713 XYFPLKODFWBXQT-KBXCAEBGSA-N 447.557 2.474 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1 1161640870 LHFSNRMEVLYAAP-QFIPXVFZSA-N 426.494 2.401 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C1CCOCC1 1192786928 GMBCVFUCRXQAHY-CQSZACIVSA-N 434.283 2.082 30 10 IEEE CS(=O)(=O)C[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccccc1 1211171504 FWVAFDGQPIYILO-INIZCTEOSA-N 443.344 2.385 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)C1 1233850542 CGNVXOILXZBMRF-VBNZEHGJSA-N 435.912 2.315 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1248484950 LSUFBPBSYDAIQC-JTSKRJEESA-N 445.520 2.142 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccnc1 1271872284 KXQMHRWPIKCQOY-NRFANRHFSA-N 429.498 2.367 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1286392052 HOSQBSLAHRNGAQ-SJORKVTESA-N 449.964 2.243 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(C)CN(C)C1=O 1286401386 LPKZRVMSZMAJHT-FQEVSTJZSA-N 426.318 2.259 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)OC)c1 1286466364 XXPXHRMIPCHBGD-GOSISDBHSA-N 427.505 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCCN2CC)CC1 1286490403 TXYZMLVKAGVWFG-FQEVSTJZSA-N 437.592 2.124 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1286758978 XSKGEUCGMNEWMA-QGZVFWFLSA-N 426.546 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC=CCC1 1286787308 RDODLOCCPGOTLC-UHFFFAOYSA-N 433.516 2.304 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286790295 MOSAQZRUONYYLB-AXHZCLLHSA-N 439.560 2.138 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1286791712 ZYZSVRYJDSIMPA-UHFFFAOYSA-N 432.956 2.175 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1286967255 CNMMANQAUJYZAM-DLBZAZTESA-N 448.568 2.442 30 10 IEEE N#Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)nc2n1CCOC2 1289684220 SLLTUHPELOUORK-UHFFFAOYSA-N 449.920 2.365 30 10 IEEE C=CC1(CC(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CN(C(=O)OC(C)(C)C)C1 1290885550 SZNAVVXMJPXRKW-NRFANRHFSA-N 428.489 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1300273415 QKNVCWDZJKSWTE-HOTGVXAUSA-N 446.577 2.111 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1300390864 BJGBRDMVDILJDK-LJQANCHMSA-N 446.573 2.392 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300424397 GADHZAQJEYOAEZ-CALCHBBNSA-N 446.552 2.351 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300493877 WUOPQUKPBLHLGD-WOJBJXKFSA-N 427.574 2.085 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300499609 VNWXBDZTIRYJTF-QUCCMNQESA-N 425.558 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nccs1 1300515855 BRGNUTKEZGZNQR-UHFFFAOYSA-N 425.539 2.121 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C)C(C)(C)C1 1300537448 ABGUPAAQZCBTIP-UHFFFAOYSA-N 440.542 2.246 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OC(F)(F)F 1300651029 ZKXAFJUHDABGBD-UHFFFAOYSA-N 439.438 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncccc1C 1300663877 KIVFPKFELGREFR-UHFFFAOYSA-N 429.484 2.432 30 10 IEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)CC1 1300833856 DIQYAVUOWJXOCO-UHFFFAOYSA-N 434.294 2.251 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1300885466 PSODRJVWXNUWQI-APWZRJJASA-N 439.626 2.366 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1300952080 IFKKSCRETDZCRX-SFHVURJKSA-N 437.541 2.353 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)CC1 1301219716 POZFSFNNAOEIRK-UHFFFAOYSA-N 443.363 2.126 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 1301481460 MCDIBOYGQZVIRQ-QGZVFWFLSA-N 442.539 2.391 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301612127 VTRUJIHQHYCSGH-QGZVFWFLSA-N 427.640 2.400 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)C1 1302978225 HTHRFNVRSLRMQK-BFUOFWGJSA-N 438.385 2.460 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1313096377 ABFDENFFRDPYTQ-FUHWJXTLSA-N 434.541 2.078 30 10 IEEE CC[S@](=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314574386 QIQVVEKFIVUGKB-PMERELPUSA-N 428.562 2.314 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1314682803 YXXJAXGZEVTVNU-OAHLLOKOSA-N 425.461 2.069 30 10 IEEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1315674627 AGFKUETXSSZKDA-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCOCC1 1316085761 GOTUKAKDIHSJTO-UHFFFAOYSA-N 436.516 2.339 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(Br)c2nccnc2c1 1351736707 UKDGXHIUFVMQPR-UHFFFAOYSA-N 428.250 2.076 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1358876208 FAFHJKIDPDWEOS-JLTOFOAXSA-N 448.365 2.241 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358959961 SXZBGGJAPYYSSV-GJZGRUSLSA-N 440.928 2.210 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358962698 VBILFQGAYUBZSX-HRAATJIYSA-N 448.976 2.343 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1(O)CCOCC1 1358968168 ATOVISHFBYXSIT-UHFFFAOYSA-N 435.528 2.152 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CN(C2CC2)C1=O 1358989571 HVMVUYDCBHWOJN-RUZDIDTESA-N 447.539 2.436 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC(F)(F)F)nc1 1359022546 DPQKJWHZYFNVQN-UHFFFAOYSA-N 449.437 2.149 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@@](=O)C(C)(C)C)CC1 1359039261 BFNJEPUAOFPBAI-GXCZYJTRSA-N 449.665 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2c(C)nn(C)c2C)CC1 1359046648 ALBNLRDJYJPGOX-UHFFFAOYSA-N 437.592 2.375 30 10 IEEE C=CCCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359206709 NKAMCONNVUUFAI-HXUWFJFHSA-N 426.583 2.300 30 10 IEEE C=CCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359221086 RBCLYCCQCCQPBE-QFIPXVFZSA-N 427.553 2.402 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1359286374 MWOGIEGTGIZBQB-UHFFFAOYSA-N 439.545 2.160 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359341491 YOCVGXVVGKUWTI-KRWDZBQOSA-N 429.594 2.344 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359478039 LLKWELLVXYOBGH-XLAORIBOSA-N 430.532 2.072 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1360798360 HVUNMULEKIBYGA-JTSKRJEESA-N 437.479 2.085 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 1439969184 LGLMHCWIYCDMET-CQSZACIVSA-N 433.534 2.392 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NC[C@@H]1CCCN(CC#N)C1)Cc1ccccc1 1457668626 DFPFSNNBAGSHGC-NRFANRHFSA-N 443.592 2.365 30 10 IEEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1459912322 MPBIVYPLJMGZLH-FHWLQOOXSA-N 449.596 2.163 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)CC1 1460902660 BSUCVFKBNSLPPO-MSYCTHLASA-N 433.597 2.058 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1465495726 LMPZGQTWPUJPSM-UHFFFAOYSA-N 435.528 2.068 30 10 IEEE Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)CC2 1465519355 DVSMLXHUKYMMTR-NRFANRHFSA-N 449.511 2.071 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccsc4C#N)CC3)C2=O)cc1 1470098236 FGTUESGEKHQQHV-QFIPXVFZSA-N 437.525 2.044 30 10 IEEE C[C@H]1Cc2n[nH]cc2CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1471817893 SHXWMIPGYYTMPS-HNNXBMFYSA-N 429.546 2.230 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN(CCO)Cc1cnn(Cc2ccccc2)c1 1473173921 RKELWTMRKPXNOT-UHFFFAOYSA-N 428.492 2.025 30 10 IEEE C=CCCOCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1478349965 HEWUYXMYGWIKMM-OAHLLOKOSA-N 443.285 2.066 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](C)N(C)Cc3ccccc3)CC2)c1C#N 1492726909 AFYKUJIOZFCNDO-SFHVURJKSA-N 447.591 2.347 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1500927763 DHAHPHSISYRTAX-QUCCMNQESA-N 442.589 2.172 30 10 IEEE COC1(C(F)(F)Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1504012220 URSGEIGPDRZZGC-CRAIPNDOSA-N 443.470 2.445 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507590080 VOVSGMFPSHOBRR-UHFFFAOYSA-N 428.496 2.410 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCCC1 1507620745 KGNKZHVJTFBUSX-UHFFFAOYSA-N 435.620 2.198 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1507631416 DMCWQTWPMZXNQI-QZTJIDSGSA-N 434.587 2.451 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507635024 RXRSXBXMWZQNQL-GOSISDBHSA-N 432.594 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccco1)N(C)C 1507667590 PDJHXLCJBSSQRF-SFHVURJKSA-N 434.500 2.365 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1507731639 NWUQMJSBDNCWKX-QGZVFWFLSA-N 447.486 2.196 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1508145209 KQLCFBVPYPPMOX-KRWDZBQOSA-N 428.599 2.098 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCCC1 1508416267 FPWPHSLCXWCEAF-QGZVFWFLSA-N 434.552 2.391 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)C1 1510282751 AGJPWEDNRHAWJY-FQEVSTJZSA-N 430.463 2.420 30 10 IEEE CC/C=C/Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1514199552 IXOTZWYTMOCOAT-ZMBJWTFHSA-N 444.561 2.085 30 10 IEEE COC1CCC(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1518555530 GEUONRHYLPGBIK-DAWZGUTISA-N 439.520 2.249 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC[C@@H]1C 1518633451 MCZBCQSJFPSZEZ-FFZOFVMBSA-N 427.505 2.005 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1519035277 HFDZZYREHDEETH-QZTJIDSGSA-N 427.461 2.269 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1519158751 FWWUFHMPECZWQC-LJQANCHMSA-N 447.561 2.287 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1526638216 BMOGJTXLEQSZQP-HRAATJIYSA-N 435.590 2.203 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(Cl)c(Cl)c1 1526988730 KWHBOSWJUOHLCK-UHFFFAOYSA-N 428.297 2.227 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)SCC(=O)N4)C2=O)cc1 1535563855 IXGFHXVYVADPBE-INIZCTEOSA-N 435.465 2.446 30 10 IEEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1536663119 HVLCJYBAVSQJDJ-QUCCMNQESA-N 442.541 2.451 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1539124429 GKLAZCBQJXGJAK-PMACEKPBSA-N 428.558 2.042 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1539225851 QQQGPLXEEQFBTK-IBGZPJMESA-N 439.541 2.149 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C)c(OC)c1 1539391288 BIJFIFIELDMSOR-UHFFFAOYSA-N 425.533 2.160 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539820418 GBGVNSRUUSFDBB-AWEZNQCLSA-N 426.926 2.242 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 1540624627 JVHBDVBOUQHXNQ-UHFFFAOYSA-N 446.548 2.008 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)c3ccccc3)CC2)s1 1540761555 LECDILQSIOGXOZ-UHFFFAOYSA-N 447.582 2.130 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1540902632 NIWPUIHTPWHNCW-OALUTQOASA-N 438.594 2.373 30 10 IEEE N#Cc1ccc(N2CC[C@@]3(CO)CN(C(=O)c4ccncn4)C[C@H]3C2)cc1C(F)(F)F 1548366324 OSJVLVFHKVWFIJ-QRWLVFNGSA-N 431.418 2.328 30 10 IEEE CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1554174451 DQBZIBOMCPHMRX-VZCXRCSSSA-N 433.472 2.142 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1555795146 MZMKKIFQEUIXJT-MOPGFXCFSA-N 427.530 2.175 30 10 IEEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccsc3)nnc2N(CCC#N)CC2CC2)C1 1555809139 ORLACSMACRZLAA-SFHVURJKSA-N 448.618 2.342 30 10 IEEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 1561137165 CSCLRRSCTMVOOF-MRXNPFEDSA-N 430.505 2.225 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2)CC1 1564547281 KOTCIEUPESBARJ-QHCPKHFHSA-N 446.555 2.305 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1570830451 BDESBOATZUKQJJ-HXUWFJFHSA-N 437.525 2.101 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 1587496014 BQOLYAASWNGOIS-MZLICYQSSA-N 440.544 2.421 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCS2)c1 1587683155 COELNMWIWMGLES-SFHVURJKSA-N 440.573 2.368 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1587823707 WICNGPRNPUFBQM-HXUWFJFHSA-N 445.571 2.363 30 10 IEEE CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 1588261603 ISWOAJXEQHGOJR-UHFFFAOYSA-N 444.532 2.107 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1589028099 YFLGBYRXMAMCPK-VQIMIIECSA-N 438.561 2.148 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589481741 BYQDPMBRCKPIRJ-SJLPKXTDSA-N 425.599 2.243 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1594134549 SBUPLJPFISLSAT-QGZVFWFLSA-N 432.546 2.457 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1594829627 NMXHSMZHNRYPHZ-LJQANCHMSA-N 427.553 2.456 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCN(C)C1 1595094159 OJHQFKXUTWJLNR-URXFXBBRSA-N 436.560 2.303 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N(CCO)Cc1cc(OC)ccc1OC 1595387122 RNUZSKHQIOIRPF-UHFFFAOYSA-N 441.488 2.208 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595658789 KCCJQWQNVKJPNQ-UHFFFAOYSA-N 440.548 2.028 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1595788756 IYLYPDWFTZTPHX-INIZCTEOSA-N 437.610 2.135 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1596798194 FXHIMCRPNMTYEE-LLVKDONJSA-N 425.371 2.128 30 10 IEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1610188656 QTWKMWIEOJRRSY-RBUKOAKNSA-N 439.520 2.437 30 10 IEEE CCc1nnc(N(C)Cc2ccc(OC)c(F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1613921946 NRMJCZNROQJTBO-FMQUCBEESA-N 428.468 2.151 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1614224938 UZYHZFHPOMMPKX-RLCYIWLXSA-N 436.516 2.475 30 10 IEEE CN(C)S(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1 1617714172 BVVPSXAAXXQSPI-UHFFFAOYSA-N 430.578 2.085 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1619912095 QOLSBNKATVNCHJ-HSZRJFAPSA-N 435.532 2.282 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn(CC(F)F)c1 1622563308 NORFGGDKZDEVLQ-UHFFFAOYSA-N 432.493 2.172 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)cc2C1=O 1624507966 SAGLHAGBPVNEEI-UHFFFAOYSA-N 431.489 2.082 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1cc[nH]n1 1625405304 FQUDJDNVTJPWLR-UHFFFAOYSA-N 441.532 2.161 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)cc1 1631315023 CNMYLZWKUKAIHJ-UHFFFAOYSA-N 449.960 2.468 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1635378171 HEQBIPUSUQSDDH-UHFFFAOYSA-N 432.525 2.484 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 1635455100 CUPJNWGPEHSPES-RBBKRZOGSA-N 427.522 2.448 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@H]1CCCc2ccccc21 1635883959 GCZHVJZFPAADAK-JTSKRJEESA-N 426.538 2.499 30 10 IEEE Cn1ccnc1[C@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1 1636069978 RMQICYRMLHRIBV-OXJNMPFZSA-N 448.531 2.212 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N[C@@H]1Cc3ccc(C#N)cc3C1)N2C(=O)OC(C)(C)C 1636223864 GVHWERYQVMMIEK-JAZQRGJZSA-N 439.512 2.329 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc4c(Br)c(F)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1639174906 DMMOHCSMNUHFKU-FVMDXXJSSA-N 426.267 2.080 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CCC2)c1 1639935571 YQUNKAJECKPZKZ-QFIPXVFZSA-N 426.538 2.402 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 1640196413 YYWXCBZMOCXIHD-SFHLNBCPSA-N 440.544 2.060 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)C1 1644637794 AAFHFIAUCSWINS-PXNSSMCTSA-N 445.361 2.191 30 10 IEEE CNC(=O)c1cccc(N(C)C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1645010057 OUWBVLDVHJTPMV-GOSISDBHSA-N 442.541 2.162 30 10 IEEE Cn1c(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc(=O)n1-c1ccccc1 1645069793 LYGUMXKJCWPRJY-SFHVURJKSA-N 427.505 2.379 30 10 IEEE COC(=O)CC1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC1 1646251314 WEPJRJNAUHMRKW-QGZVFWFLSA-N 426.473 2.003 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)ccc2c1=O 1648845868 XICPLPVYLVSUDF-UHFFFAOYSA-N 448.551 2.051 30 10 IEEE N#CC[C@H]1CCCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1654207753 CWVSPMCZJPFTCE-GOSISDBHSA-N 430.574 2.376 30 10 IEEE C[C@@](CO)(Cc1ccc(Br)cc1)NCCS(=O)(=O)c1ccc(C#N)cn1 1654936873 ZRGVKNORVKWTJR-SFHVURJKSA-N 438.347 2.073 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ncc(Br)cn1 1660171319 SEOCTQGCMOYDOG-HNNXBMFYSA-N 449.378 2.141 30 10 IEEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnc(-c4ccccc4)s3)CC2)c1C#N 1662816942 BUJQTMMZLKMYEZ-UHFFFAOYSA-N 428.543 2.235 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3nc(-c4ccccc4)no3)CC2)cc1 1670481909 GVHZJJXJYQWFDX-UHFFFAOYSA-N 438.469 2.147 30 10 IEEE C=CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 1672576644 PHSYIYGJFLVJAQ-UHFFFAOYSA-N 436.361 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1681080603 BEIDMHGGRGFNPF-QZTJIDSGSA-N 445.520 2.142 30 10 IEEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1681447089 TUFFFADUOGLDFH-HZPDHXFCSA-N 431.541 2.262 30 10 IEEE C#CCN(C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1682205356 NLAZUBVUBWALSD-GOSISDBHSA-N 435.546 2.043 30 10 IEEE CCn1c(O)nnc1C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1682384330 BGJAHEFLSPKPQV-UHFFFAOYSA-N 437.548 2.429 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)C1 1685266914 LFZOKTGSQVUAIU-HZPDHXFCSA-N 426.330 2.136 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2ccc(COc3cccc(F)c3)cc2)c(=O)nc1O 1686888470 HAUCZXIWXDKXFB-UHFFFAOYSA-N 437.431 2.038 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1689851327 OSNNHZWKXFCTEA-IRXDYDNUSA-N 444.605 2.358 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1689930256 NQSOKSRJHQQSPP-UYAOXDASSA-N 439.564 2.106 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1690087035 HXFHWEJYRGUUHP-XWTMOSNGSA-N 433.553 2.048 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@](C)=O)cc1 1690210623 FYBVDVTWWUYZCK-IPBJYNAHSA-N 439.585 2.319 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1690597577 XUGFDWJXOFEGKS-QGZVFWFLSA-N 437.591 2.094 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 1690661007 SLRSFPNFPKPUKL-MSOLQXFVSA-N 440.548 2.039 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1690670951 MLVDWGVDDGXPDA-CRAIPNDOSA-N 431.924 2.316 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690673141 PFMFTVZMXQJUAO-UZUQRXQVSA-N 443.523 2.085 30 10 IEEE CCc1noc(C)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1694779348 UHPCWDAPNVGLOX-AEFFLSMTSA-N 443.552 2.086 30 10 IEEE CCCN1CCC(N(C)c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1695377897 CXSSYPNVPIFTPZ-QURGRASLSA-N 443.596 2.314 30 10 IEEE Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCCCCCO)cn1 1696853952 CTVDBRHUFPFWPE-UHFFFAOYSA-N 448.575 2.425 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1697045350 NJLYXDNWGTVLRF-MOPGFXCFSA-N 425.489 2.012 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705531107 YIGLSCBQLCFBLR-UHFFFAOYSA-N 431.562 2.227 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCCOC 1705539884 GRBLQOUKXOJCGG-UHFFFAOYSA-N 425.533 2.356 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1705565525 IVZSVTIRICDRIJ-LJQANCHMSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCn1cc(CO)nn1 1705590647 SBHQJBWIRJHHJI-UHFFFAOYSA-N 443.555 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCS(=O)(=O)C1 1705596219 XGRYOWZXXDYDEJ-SFHVURJKSA-N 449.536 2.498 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1 1705645709 BGLNETVYUBKRKG-UHFFFAOYSA-N 429.484 2.127 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705708617 FFNZOOLSFJKULG-KPFFTGBYSA-N 445.568 2.370 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1705792151 NXAWNJSINDJGCY-DLBZAZTESA-N 425.599 2.450 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1705862938 ZBDAKBUBLDKPQC-XLIONFOSSA-N 442.539 2.282 30 10 IEEE C=CCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705893446 IJABLDFXIPWSLX-QFIPXVFZSA-N 430.553 2.432 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2C)CC1 1705904995 FRHUQJVWKUSJDB-UHFFFAOYSA-N 445.571 2.197 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1706057056 FUXMNMNNPRPUBW-SUMWQHHRSA-N 436.438 2.499 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1706076744 HIJFYODLYRDREN-OALUTQOASA-N 436.564 2.081 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1706169449 PUKFZXILMFHKIV-SJORKVTESA-N 434.541 2.206 30 10 IEEE CC(C)CSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1706539234 IROSWAYMXVPJBO-MAUKXSAKSA-N 428.628 2.408 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1709910331 JLMPAAYTIRPBIF-LJQANCHMSA-N 426.521 2.133 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1N(C)CCCC1(C)C 1710697999 OKMUAIPVWIEDSE-IBGZPJMESA-N 439.564 2.470 30 10 IEEE COCCCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1712405230 SZZRFKQMOJZRKV-WOJBJXKFSA-N 427.505 2.322 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC(=O)N2)C1 1712875598 FWDJXAPTIAZUTM-KZULUSFZSA-N 433.285 2.428 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722364262 YNGXPTXKTWJEOL-XMSQKQJNSA-N 428.558 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1722401242 QFXHDZVJYKEMDJ-UHFFFAOYSA-N 445.502 2.237 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1N1CCOCC1 1722425203 QOOMAUSJIHFVNB-UHFFFAOYSA-N 447.543 2.014 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC[C@H]2CCCCO2)CC1 1722433485 WXXYIOZWJXOVHU-OFNKIYASSA-N 431.581 2.035 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722463016 VUKMEHWEVBJJJS-HOTGVXAUSA-N 433.603 2.497 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CN(C)C)c2)CC1 1722574088 FYRCFGXIABBEHS-KRWDZBQOSA-N 446.621 2.401 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1723879652 RJLQDICYLXNTAK-HRAATJIYSA-N 443.483 2.264 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)CN2CCCC2)CCOC1 1728794093 FNKHRBROLAYVAF-YADHBBJMSA-N 434.560 2.494 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740586565 FTBMWRLUFFYBQU-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1740589098 OOSMZZQDJMRWJH-SFHVURJKSA-N 426.496 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1c(O)nc2ccccc21 1740647166 OSHMENBPJIDCIQ-DEOSSOPVSA-N 448.527 2.149 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1740708091 BDOVOXRGMQNPEF-NHCUHLMSSA-N 443.592 2.028 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1740725096 MFQQFNTUFUZJIF-WTOYTKOKSA-N 445.589 2.178 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740790715 WQNHJFQGXZSORN-QGZVFWFLSA-N 441.532 2.366 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1740842462 ANMGIICRJAYDDC-UHFFFAOYSA-N 431.585 2.403 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1740990507 BNTZICQOFISUCV-MAUKXSAKSA-N 447.561 2.036 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1741132935 LKWWECBXKNWHEY-IWKHNONTSA-N 437.479 2.130 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCSCC)CCOC1 1746728473 MABJHEMSQKWKEP-GHTZIAJQSA-N 434.610 2.250 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1747704124 BRKDDOQKBLMQFL-JOCHJYFZSA-N 449.540 2.301 30 10 IEEE CN1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C#N)o2)CC1=O 1748061821 LZUFEQCKYSBIGL-UHFFFAOYSA-N 441.289 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2nccs2)c1 1748693028 VUYBTUIXOFUVCS-UHFFFAOYSA-N 430.497 2.296 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748731182 WNANLYCTELIDNR-XUZZJYLKSA-N 445.608 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1cccc(OC)c1 1748852857 NXMYHNXRIRUCPF-UHFFFAOYSA-N 448.552 2.145 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)C(C)C 1748887058 RHXJWUXPCLDVAO-IBGZPJMESA-N 442.589 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1748895418 YVYDAPCUUWSBLV-UHFFFAOYSA-N 434.935 2.430 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1748993823 NPHGXKQKQKIMDY-QHCPKHFHSA-N 435.620 2.387 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749103882 GHUOATZCFUMZEB-OAHLLOKOSA-N 439.402 2.174 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CCOC)CCC2)CC1 1749329457 MJBOWZLTHTWXSC-INIZCTEOSA-N 425.599 2.498 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749426479 CQZVKPZBCGHYKX-ROUUACIJSA-N 437.610 2.135 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749450252 AAJFXCQWFMFAKS-LEWJYISDSA-N 432.613 2.327 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749681233 YXQNFROHIXXETF-ROUUACIJSA-N 441.532 2.031 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)cc(OC)c2)C1 1749713569 UZRISXBSALSUJY-RTBURBONSA-N 446.573 2.327 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN(C)C(C)C 1760097390 DRWKGBNQRMQFQN-ZWKOTPCHSA-N 446.621 2.235 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760168734 NOFINYPTSBOGNA-UXHICEINSA-N 438.557 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(Cl)c1 1760218492 HXWHKOQDBXKIRW-INIZCTEOSA-N 434.924 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)CC)CC1 1760266609 GACIBVOQRVPHIL-UHFFFAOYSA-N 442.951 2.043 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1760281137 YPLQRJGXSAUULK-UHFFFAOYSA-N 433.541 2.263 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1760451421 ISYQBWKIURURED-HXUWFJFHSA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1760517526 OZBXCUMYGBIYFA-YJBOKZPZSA-N 429.546 2.030 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCn2cc(CO)nn2)n1 1761914158 FEPFQTNBPKGCLV-UHFFFAOYSA-N 443.515 2.331 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1763934224 HIKJDTVKZYNXLW-KRWDZBQOSA-N 436.564 2.444 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C[C@@H]1C 1767117042 DDIPHLAEUCHHLS-IBGZPJMESA-N 437.592 2.458 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(=O)OC)C2)CCC1 1767191927 HBTZDLCHLTUYFT-SFHVURJKSA-N 436.516 2.122 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)COCCO1 1771112406 OBWURNMZXGGHBO-OAQYLSRUSA-N 435.475 2.319 30 10 IEEE CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(CC#N)cn4)CC3)nn2)cc1 1851602161 ZVDLNHLMDIINII-UHFFFAOYSA-N 443.511 2.325 30 10 IEEE Cc1cc(C)c2c(=NC(=O)CN3CCN(c4ccc(C#N)cc4Cl)CC3)[nH]n(C)c2n1 1851669939 CZJMVCOAVYTHFK-UHFFFAOYSA-N 437.935 2.293 30 10 IEEE Cc1cccc(C)c1N1C[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1851946977 BYVAYYFVEVJADM-NRFANRHFSA-N 447.539 2.288 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)c1F 1852613977 TXCXHPMYMFSPQD-KRWDZBQOSA-N 425.439 2.185 30 10 IEEE C#CCSCCNC(=O)[C@@H]1CSC2(CCN(Cc3ccccc3)CC2)N1C(C)=O 1852954491 ZKSXJSZVOYVISM-FQEVSTJZSA-N 431.627 2.425 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3sc(C)nc3C)C3(CCCC3)C2=O)CC1=O 1853932107 MJGLYKNITHHHCV-KRWDZBQOSA-N 430.574 2.278 30 10 IEEE CC(C)CS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)C(=O)O2)CC1 1855118510 QEDFYDPYTROKCO-IBGZPJMESA-N 433.530 2.146 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1 1856872013 JLUAPACBYPNQIN-KRWDZBQOSA-N 425.510 2.080 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1858107058 SUAQHGMGZLERAS-GOSISDBHSA-N 432.571 2.031 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(C)c2C)cc1 1858971883 LRFQCVKBUHINBV-UHFFFAOYSA-N 445.541 2.215 30 10 IEEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc2nc(CCc3ccccc3)[nH]c2c1 1860967604 FPBZVLQWPYEHOG-LJQANCHMSA-N 433.512 2.014 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 1862607075 GQQQOZWRXDSYSZ-HXUWFJFHSA-N 440.452 2.009 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862673024 ARXCRBXMGUHZPY-FQEVSTJZSA-N 426.444 2.442 30 10 IEEE C=CCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593699 KRVBKHYBOVMNRO-UHFFFAOYSA-N 428.445 2.071 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cccc(N(C)C)c3)CC2=O)cc1 1870159132 HJYZVRXZHRRLDG-HNNXBMFYSA-N 445.483 2.205 30 10 IEEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870413739 FHEKDLIBVOPNIA-LJQANCHMSA-N 439.556 2.495 30 10 IEEE CCCCCCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541144 UBOJTRKBKZHARJ-UHFFFAOYSA-N 430.553 2.430 30 10 IEEE CCOc1c(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cccc1OC 1874342021 XZPQCKUCMNRUDU-LTNVFZTJSA-N 447.561 2.376 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)C1 2020886492 LQGFJJPMHPVJQG-HOTGVXAUSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCC#CC(=O)O 2229113170 FWJMVOQQAOHZEG-CQSZACIVSA-N 425.279 2.089 30 10 IEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CONC(=O)OC(C)(C)C 2243674282 HJCQWXDMUQRYSQ-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE C#CC1CC(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)(C(=O)O)C1 2247564635 KHQLIIXBUGTWPI-HRZDDSQGSA-N 430.501 2.469 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256661857 WLHHKZLFLABUDV-YOEHRIQHSA-N 432.326 2.464 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256921731 ACRKEFZNUQIDQO-PBHICJAKSA-N 429.278 2.367 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267004216 BKIRONIYCFVGDJ-OLZOCXBDSA-N 441.259 2.052 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267092268 VDDYLEPUAGXHFK-HUUCEWRRSA-N 448.373 2.426 30 10 IEEE CCn1cc(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267493233 YSEMHDFQNAVABT-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE Cc1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267511047 WEZWNIGZPZWSOG-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 2267599848 WLOPAMZLYZSIEV-TZIWHRDSSA-N 440.349 2.428 30 10 IEEE CC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2267875949 KFHZVMHJGKGGAS-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274224483 RWAGACWKRWTMEM-HNNXBMFYSA-N 448.373 2.426 30 10 IEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1C 2296926239 FPAWBGGEXJFZQJ-LJQANCHMSA-N 440.500 2.187 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2312856220 XAEYZQBHPDDHHH-UMVBOHGHSA-N 449.382 2.488 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(CCNC(=O)OC(C)(C)C)CC2)n1 2337026403 QHUSKNNFAXOULI-UHFFFAOYSA-N 446.401 2.336 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)n1 2337032474 RAVXYZCOZMDOIL-MRXNPFEDSA-N 447.341 2.200 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337286644 BKJCSNWEKDGILG-CABCVRRESA-N 448.373 2.095 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 15759937 LJIDSMKUIHNESX-UHFFFAOYSA-N 449.536 2.210 30 10 IEEE CC1(C)CC(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)[nH]2)CC(C)(C)N1 20833598 JTFWNUYQOZHUBP-SRZZPIQSSA-N 431.566 2.474 30 10 IEEE CCOc1cc([C@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1OCC#N 104078519 ISLAWKXLPFIEKF-LJQANCHMSA-N 447.451 2.110 30 10 IEEE C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 111001879 FVYFJYGAVUVSPW-UGSOOPFHSA-N 447.513 2.400 30 10 IEEE N#CCC(=O)Nc1ccc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 219585043 NSAIMWKIOCAKPG-UHFFFAOYSA-N 435.396 2.462 30 10 IEEE C[C@@H](C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)n1cnc(C#N)n1 409453391 OCKLYCFAGXKEDB-IBGZPJMESA-N 429.528 2.349 30 10 IEEE COCCOc1ccccc1N1CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 427004724 KKEYUCMMVVEMCT-UHFFFAOYSA-N 428.514 2.368 30 10 IEEE CC1(c2cc(NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)no2)CCCC1 435100020 BCADLRVVSYYHID-KRWDZBQOSA-N 435.484 2.628 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1 467826445 WGYSCCDVQVJFGD-OXJNMPFZSA-N 427.526 2.070 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 471925518 SPSSUNLOKQFGGB-UHFFFAOYSA-N 429.433 2.233 30 10 IEEE COc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CCCC2)N2CCOCC2)cc1OC 473911292 NNHFHTBDJCAUMK-SFHVURJKSA-N 437.562 2.080 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(F)cc2)c1=O 480949582 DKGDAUHZSUOUJY-UHFFFAOYSA-N 443.525 2.136 30 10 IEEE N#Cc1cc2c(nc1NC(=O)Cc1ccc(S(=O)(=O)N3CCOCC3)s1)CCCC2 484160083 KACRIRWOSNPJLX-UHFFFAOYSA-N 446.554 2.096 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1 503623460 CNHBGZOTIRTZSD-UHFFFAOYSA-N 432.406 2.362 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC=C)CC1 508812163 VOGWHAGGFBYGMC-KRWDZBQOSA-N 428.512 2.167 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 508998233 MESQFLRTSYULKE-GOEBONIOSA-N 432.912 2.456 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1C#N 515662163 GVKLXSVOZKXLGD-UHFFFAOYSA-N 448.935 2.453 30 10 IEEE CCc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)cc1 516830124 HJXRZPDDBWMSMY-UHFFFAOYSA-N 447.560 2.336 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc(F)c(F)c2)CC1 526044893 VYTUCBWNDQUYSH-UHFFFAOYSA-N 434.468 2.095 30 10 IEEE COc1ccc(-n2cc(CNS(=O)(=O)c3cc(Br)cc(C#N)c3)nn2)cc1 531533008 AJZDQFDVAPBUOJ-UHFFFAOYSA-N 448.302 2.389 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 549273426 YJEPBUZSKZSOOC-SFHVURJKSA-N 437.552 2.113 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 549634574 QKIJDIKYVRQTNT-UHFFFAOYSA-N 428.924 2.102 30 10 IEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2cc(OC)ncn2)CC1 549678613 ZPBABPRSLQULND-LJQANCHMSA-N 449.515 2.492 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC#N)CCCCN1CCCC1 586153010 DXFLAIAYKCRVIN-UHFFFAOYSA-N 434.562 2.212 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c(F)c1 586862219 NUKDMDMFZQCXKV-QGZVFWFLSA-N 428.851 2.279 30 10 IEEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCc1ccc(C#N)cc1F 611153833 WXKXPFILXSNFEU-IBGZPJMESA-N 442.491 2.085 30 10 IEEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734291672 ZJNGMPRJPHQLAZ-SFHVURJKSA-N 446.504 2.479 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1C#N 747497505 DZQGVRGGNHTQCU-UHFFFAOYSA-N 443.463 2.147 30 10 IEEE C[C@H](OC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC1(C#N)CCCCC1 752608007 CIVZJVDKZCWQPY-HOTGVXAUSA-N 435.546 2.315 30 10 IEEE C[C@@]1(C(=O)O)CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757486730 QJSSCIJWBVAYQC-VWLOTQADSA-N 448.475 2.231 30 10 IEEE C#CCN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 783355202 HVSODXXMWVEGRO-QGZVFWFLSA-N 428.466 2.436 30 10 IEEE CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 786150865 KZCYJTCMXXGYBX-ZPHPHTNESA-N 432.908 2.259 30 10 IEEE C#CCn1ccc(CN(CCOC)Cn2ncn(-c3cccc(NC(C)=O)c3)c2=S)n1 788370344 RHZOPFRAZLKKRX-UHFFFAOYSA-N 439.545 2.297 30 10 IEEE CS(=O)(=O)c1csc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 790861718 JCEPXODZTBLRPK-UHFFFAOYSA-N 438.430 2.161 30 10 IEEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2c(C)nn(C)c2C)CCCN1C(=O)OC(C)(C)C 791763130 OOWMWPUYHHTUNB-IBGZPJMESA-N 426.539 2.188 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 792746280 LJOLRWWPRPGCMR-QAPCUYQASA-N 434.537 2.246 30 10 IEEE COC(=O)[C@@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C#N)cc1 799599299 ZOKHBHLWGVERMU-KRWDZBQOSA-N 425.869 2.133 30 10 IEEE COc1cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1C#N 812251182 WWBKUQMEZQVNQY-UHFFFAOYSA-N 440.525 2.482 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)cc1F 813648555 ILYDJVOLAZRQDG-UHFFFAOYSA-N 448.476 2.169 30 10 IEEE CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 817061477 XZGYNRLVLQRINP-AEFFLSMTSA-N 435.933 2.253 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCN(C(=O)C3CC3)CC2)C1=O 914548437 HYODYKOHRMSCDJ-QGZVFWFLSA-N 432.521 2.294 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)cc1C 920395469 ACRCZHWPZYHQTM-UHFFFAOYSA-N 445.500 2.322 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2ccccc2OC)n1N 1084487129 MCHAMLZBVGMENF-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE CS(=O)(=O)N1CCCc2cc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)ccc21 1134277801 DFKZAIFASJPDGY-OAQYLSRUSA-N 425.510 2.484 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C[C@H]1c1ccc(O)cc1 1141336106 FAQMYAULDXMDEB-JRGCBEDISA-N 433.464 2.032 30 10 IEEE CO[C@@](C)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)COCc1ccccc1 1146719062 GOACUBHPEWGJEX-NRFANRHFSA-N 434.489 2.475 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] 1148127717 DOOYTDUUMAODRA-KRWDZBQOSA-N 426.477 2.451 30 10 IEEE C#C[C@](C)(CC)NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1170451072 HCFCRDJWDMLOPD-KDHISYJLSA-N 445.566 2.124 30 10 IEEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)no1 1175462947 GYSZJYYLFJVZQC-ALOPSCKCSA-N 429.502 2.121 30 10 IEEE COc1ccc(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1C#N 1254694849 PAMRGUVYUFVFOD-DEOSSOPVSA-N 434.496 2.280 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286354392 MKQIJRVMWDOYJD-GOSISDBHSA-N 440.573 2.282 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1286386553 CQFUGPBNYXXCLM-QGZVFWFLSA-N 445.495 2.237 30 10 IEEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1286446200 FYQXOSBEEUTFMQ-OAHLLOKOSA-N 437.516 2.031 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)C(C)C)CC1 1286484725 VZLRYAWBMZAOQF-UHFFFAOYSA-N 444.967 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCCn2ccnc2C)CC1 1286490331 PWAVDIBSYGMHQW-UHFFFAOYSA-N 446.559 2.291 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1287048264 SJCLQSXIFOHTOD-AEFFLSMTSA-N 446.552 2.300 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1298088010 SGZSBRTVTRLYIK-UHFFFAOYSA-N 426.521 2.034 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCOC1 1298133051 KKSQCHRJMDQDPQ-RTBURBONSA-N 446.502 2.398 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2ccncn2)CC1 1299300275 DMCKYERGZJAIBX-LJQANCHMSA-N 441.557 2.480 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)c1ccccc1 1299870071 WHTFFMCYYZMBCO-RTBURBONSA-N 432.929 2.364 30 10 IEEE COc1ccc(CCc2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1300117776 PDRIGXKABZDBSW-UHFFFAOYSA-N 434.500 2.287 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300371226 AOCMAOAXNPUYQM-QFIPXVFZSA-N 438.624 2.159 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C(C)C)N1CCOCC1 1300465442 NGSLALHLAXHREQ-GHTZIAJQSA-N 425.533 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCS1 1300663660 GRCKXKHSMPGXHY-MRXNPFEDSA-N 448.618 2.220 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1300809168 UNWBUCGXOFGTCX-HXUWFJFHSA-N 437.516 2.079 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1300984719 IAFKMELFJLJHDJ-HKUYNNGSSA-N 438.532 2.212 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H](C)O1 1301358459 BPAIEZCWCQHKLI-APWZRJJASA-N 440.548 2.219 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1C(C)C 1301424707 NWCNLYQKUBIHOH-QRVBRYPASA-N 440.610 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301546128 PNDRDJFERCGXRH-HKUYNNGSSA-N 427.530 2.033 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1301588890 LBMKHSRRSLOWKZ-UHFFFAOYSA-N 433.578 2.203 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302392668 QUOCXVOFTOPNGN-RJCBAWPRSA-N 442.907 2.350 30 10 IEEE C[C@@](O)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1303889352 CTEXPOGARLRPIH-UXHICEINSA-N 444.492 2.212 30 10 IEEE CCCN1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1307053192 MIXWCESGVINYQT-UHFFFAOYSA-N 425.537 2.224 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(OCC)CCOCC1 1309855144 VARMCODGXJVBFT-UHFFFAOYSA-N 444.594 2.237 30 10 IEEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1313125378 HYHJGCQNFHRBNF-UHFFFAOYSA-N 434.562 2.190 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cc(C)nn1C 1316098322 ARTVLAWACLLJDF-UHFFFAOYSA-N 437.504 2.173 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1358874186 UIWQDODDHZQTRD-YCRNBWNJSA-N 441.580 2.179 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1358898611 XCBBVTOJQDXBJR-SFHVURJKSA-N 433.578 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COc2ccccc2O1 1358984219 MTQUUTAMKKDJAN-SFHVURJKSA-N 442.479 2.228 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1359009164 JMSPTDJYBFJRJL-GOSISDBHSA-N 431.562 2.262 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359083170 CUWUCVAQWFWSHN-UONOGXRCSA-N 433.372 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1359330931 HHOWEDQXZRUEDH-GASCZTMLSA-N 442.545 2.287 30 10 IEEE CN(CC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C1=NS(=O)(=O)c2ccccc21 1438755241 LNACZTYGIDUDCG-QGZVFWFLSA-N 436.415 2.359 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OCC 1438906866 FRONSMJPCPJZFJ-AWEZNQCLSA-N 447.351 2.327 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H](O)C1CCOCC1 1445711318 RHWBIBSQPVCNRR-VQTJNVASSA-N 429.517 2.296 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1454353949 JFGWHFVLGLLUAL-OAHLLOKOSA-N 447.469 2.172 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 1462102147 BGXSUQNMOAEODG-RBBKRZOGSA-N 434.544 2.329 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](CN4CCOCC4)C3)C2)C1 1467501279 OBBXVTVNTZZDPH-ALJXEXJNSA-N 446.592 2.344 30 10 IEEE Cc1c(Br)cc(I)cc1C(=O)N[C@@H]1CCN(O)C1=O 1468372073 AXAGYOUKXDINEE-SNVBAGLBSA-N 439.047 2.082 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1469727820 CDHNOPZOSYCKAP-FPCVCCKLSA-N 437.541 2.300 30 10 IEEE Cc1nc(SCC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c(C#N)c(C)c1C 1470678089 WBQSUHZNZGYMGD-QZTJIDSGSA-N 436.603 2.480 30 10 IEEE C#CCN(CC1=Nc2ccccc2S(=O)(=O)N1)C1CCN(C(=O)OC(C)(C)C)CC1 1473798128 VXUIKCVCMZIIDP-UHFFFAOYSA-N 432.546 2.343 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1504600729 NVRMVXCSDIJGRC-LJQANCHMSA-N 449.490 2.159 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)c1cccc(C)c1 1505059225 NEVAHGOHQCTIGE-HOJAQTOUSA-N 440.548 2.336 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1505315433 LRYFYZOZEJQYTH-LEWJYISDSA-N 425.533 2.346 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1507564842 XTQARFVLJKTFFF-HXUWFJFHSA-N 436.560 2.346 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)NCC=C 1507648586 LMLKRHSARMSIHZ-UHFFFAOYSA-N 426.318 2.391 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1507678452 HYNQBZNMLPCJHS-NZQKXSOJSA-N 433.597 2.279 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1C[C@H]1C 1507704100 OVRHFKVOBATUOL-WBVHZDCISA-N 430.578 2.289 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507748226 JDNGFKHMMFYCNJ-IBGZPJMESA-N 428.606 2.429 30 10 IEEE C=C(Br)Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507791191 IZUWDVLVYXDRIN-RVKKMQEKSA-N 445.358 2.077 30 10 IEEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507941602 HEEBTYAZMKGKBP-UHFFFAOYSA-N 435.532 2.357 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCn1cc(Br)cn1 1509655187 AXUOLFFFUFUEGP-SFHVURJKSA-N 449.357 2.206 30 10 IEEE Cc1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511847927 KEZMFDUZPPAPLA-MVZUJROASA-N 442.907 2.424 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCOC[C@@H]1OC 1513371662 FUCRVJANJNZCAL-SGXKBVARSA-N 432.569 2.378 30 10 IEEE CC(C)CN1C[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)CCN2C1=O 1520324343 FUJPLWNNUCKGQS-AWEZNQCLSA-N 435.322 2.304 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1 1525482367 HVPSBJQCPPWWBO-HSZRJFAPSA-N 429.524 2.254 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C[C@]3(C)CCS(=O)(=O)N3)c2)c1 1532170414 CJULTHRTNXGUQV-QFIPXVFZSA-N 426.494 2.283 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539097326 JECWVNXILJNLSB-UHFFFAOYSA-N 445.527 2.188 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539218670 BYTPBSLFSKTPBK-QZTJIDSGSA-N 447.605 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1539295541 CEVBRNHBGXKTOB-HNNXBMFYSA-N 449.964 2.062 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1539311260 GISQSUHGOBRIQB-UHFFFAOYSA-N 433.537 2.449 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1539365626 OOHVDLPZACAGJE-KRWDZBQOSA-N 432.569 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1ccc(-n2cccn2)cc1 1539409330 XKCNUZJESXFGRX-UHFFFAOYSA-N 428.500 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCOCC1 1539420599 IZIOLGXHGIKPRX-UHFFFAOYSA-N 428.533 2.101 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nnc(C)s2)CC1 1539453748 DHUCKHCVWRUPEI-UHFFFAOYSA-N 437.573 2.035 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539506892 ZMISKTSCQPNBGW-INIZCTEOSA-N 434.587 2.334 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539759393 SQTOVRSXWLCBTC-SFHVURJKSA-N 434.562 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)CC 1540868836 TWESMQYXWXAJNU-HNNXBMFYSA-N 433.582 2.023 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1540871327 JESCQTFKEQEHTL-KRWDZBQOSA-N 434.585 2.472 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1540888945 BGXULBQCDZRORC-PKHCJMHPSA-N 440.573 2.387 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1541800510 BCUUZUKRZNNVNC-LJQANCHMSA-N 444.543 2.427 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CO1 1543734720 KAWRTNXOWHVXLX-YESZJQIVSA-N 437.537 2.485 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1 1544608878 XTFLQOYSPPXQRU-MXJLDLDKSA-N 437.566 2.301 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1546313553 HCOQXSLKAUDRBL-IBGZPJMESA-N 437.504 2.253 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1546528184 GDBLECTUWVOIJC-KRWDZBQOSA-N 448.497 2.318 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(=O)NC 1547689523 GSZMBCLTFHVBJJ-LJQANCHMSA-N 439.564 2.175 30 10 IEEE COc1ccc(OCCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1554983081 SQXNUSDDNBRCMP-PXNSSMCTSA-N 427.505 2.379 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C[C@@H](C)O1 1555405469 LEBZNVNZGJVLGU-UTKZUKDTSA-N 439.516 2.316 30 10 IEEE CSCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555936125 CZPFIYAXBGUGQW-KRWDZBQOSA-N 449.588 2.394 30 10 IEEE COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556581786 XWJGKVDSPSGMBS-YOEHRIQHSA-N 432.473 2.273 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1557770883 ZKMVCLOLZVZGDR-KRWDZBQOSA-N 444.509 2.417 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(S(=O)(=O)N4CCCCC4)CC3)C2)c(F)c1 1558505163 CQOKRFMQYHFGOO-SFHVURJKSA-N 448.564 2.330 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 1562929295 OYHMABCFDFYAGL-CYBMUJFWSA-N 433.324 2.027 30 10 IEEE N#C[C@H]1CN(C(=O)Cc2ccc(I)c(Br)c2)CCO1 1565582609 DIKVOVRAJLBWJL-JTQLQIEISA-N 435.059 2.347 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)C2)C1 1586456266 MTAIZWPHHSKBGC-DHBPRGKBSA-N 446.592 2.390 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1587749455 INISVVCTIGITSA-UHFFFAOYSA-N 437.533 2.245 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1587861131 HACRSGDUXIDDJU-IEBWSBKVSA-N 432.521 2.311 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588065327 WWNGPPIPMFVGRM-DFQSSKMNSA-N 434.606 2.453 30 10 IEEE C=CCn1c(SCC(=O)N[C@]2(C(=O)OC)C[C@H](O)C2)nnc1-c1ccc(Cl)cc1 1588267036 GCPVYNJHQFMVBG-DHFPXDALSA-N 436.921 2.059 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1588946290 AXEZANUJQBNNLU-UHFFFAOYSA-N 435.507 2.179 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(CCn2cccn2)CC1 1593689800 FEWIOKSRMHEFCL-FPOVZHCZSA-N 443.596 2.376 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2cncn2)CC1 1594035480 JWKGRNSKDFPMCC-UHFFFAOYSA-N 425.493 2.419 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1594819439 CPFIHVWRSNKZSS-PZJWPPBQSA-N 446.640 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)CC1 1595538107 ZVRASSWWOJQVBP-INIZCTEOSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](Cc2ccccc2)C1 1595608612 VBPIIXKSMSYTLW-ONTIZHBOSA-N 439.560 2.373 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCOC(C)(C)C1 1595821142 AQJGYXVZINAHIU-UHFFFAOYSA-N 434.562 2.382 30 10 IEEE N#Cc1ccc(CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)nc1 1596262939 CVAYLNQZTSUMMN-UHFFFAOYSA-N 426.274 2.103 30 10 IEEE CC(C)C(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1598080855 UWOMNAPCIKSKQW-IBGZPJMESA-N 435.532 2.172 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@H](N4CCOCC4)C3(C)C)ccc2c1=O 1611537421 GOBUETKAEBISHC-MSOLQXFVSA-N 428.558 2.100 30 10 IEEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC(c2ccc(C#N)cn2)CC1 1620449819 BHLLYCANNAUBBS-CVEARBPZSA-N 441.557 2.046 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)C3(C#N)CC4(CC4)C3)CC2)cc1OC 1627967104 CIISMDBPTACTCU-UHFFFAOYSA-N 447.557 2.305 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 1628838702 SNMYWNRDSRJDDS-NRFANRHFSA-N 426.538 2.114 30 10 IEEE C=C[C@H](CO)NC(=O)c1cc(I)cc(I)c1 1630163891 FSVRUWOQPJPPPO-SNVBAGLBSA-N 443.022 2.173 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1631610395 KOPYOFUYWYBRBT-HXUWFJFHSA-N 443.548 2.009 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1633175783 PNXRNJXVLWWDTJ-ZBFHGGJFSA-N 433.368 2.195 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)OC)cc1 1634283429 WAGOOONUIHNEAK-IBGZPJMESA-N 442.493 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 1636201602 TZLHENPRNUHWHC-BRWVUGGUSA-N 444.598 2.188 30 10 IEEE COCCn1cc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(O)nc1=O 1636518245 RBRYPYLWWXSTQM-UHFFFAOYSA-N 438.415 2.328 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1637389729 LDXREVBFQAAHPE-YSIASYRMSA-N 434.581 2.282 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1 1643827722 XFDJEKBPTDMLRK-UHFFFAOYSA-N 432.351 2.297 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc(SCC#CCN2C(=O)c3ccccc3C2=O)o1 1643839886 CCELDUGPDJDQIE-UHFFFAOYSA-N 428.470 2.486 30 10 IEEE N#Cc1cc(Br)cnc1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1650700614 WUAMKRGQNQIKMB-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3cc(O)nc(O)n3)C2)n(Cc2ccco2)c1C 1654081306 SILSNXLOUBFUAZ-OAHLLOKOSA-N 436.472 2.247 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(CCc3cnccn3)CC2)CC1 1681580976 VTXHHUHHEVTAMR-UHFFFAOYSA-N 435.532 2.003 30 10 IEEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1682358762 XSCDTOMLRIVJAE-GOSISDBHSA-N 432.933 2.265 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1690043523 DODKIKWKCUPDBR-UHFFFAOYSA-N 448.552 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(F)cc2)CC1 1690138374 ZXEOYFNSTAXNQZ-KRWDZBQOSA-N 443.523 2.155 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1690216925 ZVVWDGXRKIXNHB-JGDUNROCSA-N 442.564 2.320 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](c3nnc4n3CCC4)C2)nnc1C(C)(C)C 1690731869 SDMGPEDOZWUFTH-MRXNPFEDSA-N 447.609 2.098 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C1 1690812620 PWBHNXQXFIVDLM-WOJBJXKFSA-N 438.532 2.212 30 10 IEEE CCN(CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1695659055 GTTDTRFFQKNYNQ-JOCHJYFZSA-N 431.585 2.003 30 10 IEEE CCSCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1696564822 VBKXIEYDWFZFMH-AWEZNQCLSA-N 425.518 2.466 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1705564925 FRSSNECPFQXWLN-FQEVSTJZSA-N 433.622 2.437 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705737522 TZZODCBKNXYMCV-DYESRHJHSA-N 441.532 2.440 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705799437 WTEQYXVDSOVXBM-XLIONFOSSA-N 426.583 2.252 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCN(C)C1 1705859633 CSNBZGKQZGIRDE-DEOSSOPVSA-N 429.528 2.471 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)nc1 1705863125 ILQGAHKQNTWCCB-UHFFFAOYSA-N 445.527 2.135 30 10 IEEE C=CCn1c(N2CCN(CCOCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893472 JISVYJQOQLQWSM-HDICACEKSA-N 434.585 2.393 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1706068146 FQPYOFHKVZRRRK-JRGCBEDISA-N 436.626 2.352 30 10 IEEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1707639187 ATULKEJIKXOCBJ-INIZCTEOSA-N 448.618 2.228 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCn1ccnc1C 1708531213 ABEATZVWNTZXID-IAGOWNOFSA-N 434.552 2.374 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1710896324 NWKPVFFVSXKALD-GVDBMIGSSA-N 440.614 2.122 30 10 IEEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)n1 1711282255 ARQPIZDCHADTOH-UHFFFAOYSA-N 447.547 2.060 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722315267 KNIHTQTXEWBLSO-HOTGVXAUSA-N 427.509 2.117 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722358089 DJUXCEOXQFLBLJ-IRXDYDNUSA-N 435.619 2.393 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722360797 JSGWUTIQCHRYBA-XUVXKRRUSA-N 443.573 2.028 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1722661408 DSEFMDDLNJKONW-AWEZNQCLSA-N 449.606 2.233 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1722693229 HLPLVDLVZMNDSF-QAPCUYQASA-N 429.546 2.030 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CCO1 1722843112 NOVQDFHHLDTYAA-FQEVSTJZSA-N 436.541 2.462 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1ccccc1F 1723599775 BLHWJOIELKFALW-JOCHJYFZSA-N 441.511 2.115 30 10 IEEE Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1724241699 DUPGLLJPPNXTQI-CBGDNZLLSA-N 447.536 2.398 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccnc2-n2cccn2)CCOC1 1728752494 BNYZFNMLZFPQAW-VGSWGCGISA-N 436.520 2.298 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnnn1CC1CC1 1740536320 DBCBBDBBWWJAEC-CYBMUJFWSA-N 428.447 2.449 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1740549737 GTVCQEJBKXGOFQ-AZUAARDMSA-N 445.589 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nc(C)cs1 1740639554 WONLFCADELLHTD-UHFFFAOYSA-N 429.509 2.078 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1740671105 ZKZSHQCHCRSSMB-VGSWGCGISA-N 433.553 2.004 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740961715 HURPJYQEHNCFQF-HXUWFJFHSA-N 434.548 2.221 30 10 IEEE CC(F)(F)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1741891414 CGXHVNLCAMADQT-UHFFFAOYSA-N 425.447 2.374 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1743408212 ZJUKCMFCJGKFNS-MOPGFXCFSA-N 449.559 2.226 30 10 IEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1745360395 YWZJXYNFDFVJIB-PCCBWWKXSA-N 441.532 2.274 30 10 IEEE CCCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745547931 IELFJXRWBQFVGV-KRWDZBQOSA-N 435.536 2.467 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1749055290 GVNWVDDUQVEENL-PKTZIBPZSA-N 431.581 2.473 30 10 IEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1749232138 DHHPUSBZKDVLBI-UHFFFAOYSA-N 429.546 2.178 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1749232967 ZQMXDCUICXTSQG-LJQANCHMSA-N 427.549 2.433 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749404142 STKNDIIAGMCMRY-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1749687143 LTYOPKDUNZZHBB-QGZVFWFLSA-N 440.548 2.086 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1749954459 PMHRSGNYUQGJHC-HRAATJIYSA-N 440.483 2.073 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1750197985 ATAWBYMFOVCFAL-FQEVSTJZSA-N 430.509 2.474 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1750295057 WCWIGRKIMGLZHX-MEUCICPISA-N 441.561 2.142 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc2[nH]ccc2c1 1751216324 CDOYOFFZGDDDAM-VLIAUNLRSA-N 445.524 2.054 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2cnn(C)c2C)c1 1760126451 ZEBTUJICBMXJLH-UHFFFAOYSA-N 440.511 2.487 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCn2nc(C)nc2C1 1760278164 ZZTGLKMTAFIHRZ-UHFFFAOYSA-N 439.545 2.249 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760350650 OOICXBUIVYYQLO-LJQANCHMSA-N 449.353 2.345 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1760355696 SGSZKTDSDTUDNX-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760357317 IEHSRVIHMNWJHS-LEWJYISDSA-N 433.597 2.313 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1760411914 SMPONPYHIAOGFR-IBGZPJMESA-N 430.597 2.380 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC(=O)N1CCOCC1 1760479369 MSHDKLZXLYSOPE-UHFFFAOYSA-N 443.511 2.263 30 10 IEEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760559636 JJADRCZZUHZRCS-CRAIPNDOSA-N 449.552 2.428 30 10 IEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)OC 1763857670 HTPFMPNWOBOTII-MOPGFXCFSA-N 446.577 2.150 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OC)C1 1767607176 FRSHZRZTZAXACR-QHCPKHFHSA-N 431.500 2.231 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCn2ccnc21 1767783919 LVFCROYLGUDVOW-GOSISDBHSA-N 448.531 2.075 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1768634556 RWSUPFSSWKGXDU-MOPGFXCFSA-N 429.546 2.115 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(C#N)o1 1769033395 OYMLTGLVYURBKE-CYBMUJFWSA-N 447.421 2.301 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1769660491 VVWNHJKAEVCVOV-GOSISDBHSA-N 446.577 2.009 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nc2c(s1)CCCC2 1771223776 YANCIXDXIUEYFZ-JKSUJKDBSA-N 446.577 2.309 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1771442370 MMOGYKGJAZSVST-ZJYNUGOYSA-N 439.545 2.198 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1771531739 AKVZUEJPHXUDSZ-WMZOPIPTSA-N 445.449 2.430 30 10 IEEE C#CCSCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 1850464342 JGXWAJCBJSOTBK-FQEVSTJZSA-N 441.597 2.323 30 10 IEEE COc1ccc(-n2cc(CN3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)nn2)cc1F 1850884083 NXPGZIIYDFTKIV-UHFFFAOYSA-N 434.475 2.174 30 10 IEEE Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 1852048369 VENQFHLRNAADMP-IBGZPJMESA-N 427.530 2.278 30 10 IEEE C#CCC(=O)O[C@@H](CN1CCCC1=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 1852813672 SXXBKCYVMZLIFP-AWEZNQCLSA-N 432.325 2.466 30 10 IEEE N#Cc1c(NC(=O)[C@H]2CCn3cnnc3C2)n(CCc2ccccc2)c(=O)c2cccnc12 1853204976 BYAQOUJCBRXYNJ-KRWDZBQOSA-N 439.479 2.303 30 10 IEEE Cc1ccc(S(=O)(=O)N2CC[C@@H](OC(=O)Cc3cc4c(cc3C#N)OCO4)C2)cc1 1853230659 UYMHLSOHPFNDQA-QGZVFWFLSA-N 428.466 2.144 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CC(C(=O)N4CCCC4)C3)C2=O)c1 1854834708 AYOMJWJQFNIBLC-IBGZPJMESA-N 428.920 2.091 30 10 IEEE COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855689137 ALQPHPYEVYIQCV-HOTGVXAUSA-N 425.466 2.032 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(F)c(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855739745 DQYMVACTXXZFBU-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C3CCN(CCC#N)CC3)CC2=O)cc1 1856160121 AJBHIEZBHGGVNS-IBGZPJMESA-N 431.558 2.483 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1858393500 HJQCTGQMFWLIJH-QGZVFWFLSA-N 430.464 2.422 30 10 IEEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 1860954644 ZQSUJFTZGLGENE-KRWDZBQOSA-N 425.876 2.159 30 10 IEEE C=CCNC1=C(c2ccccc2Cl)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863775790 OEERRZHXNBODER-UHFFFAOYSA-N 431.901 2.043 30 10 IEEE CC(C)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868782338 HJWBMDGUYAVUSM-PZJWPPBQSA-N 446.617 2.396 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc2c(c1)OCO2 1870982935 HWVKVXKTJCLJRX-SFHVURJKSA-N 441.484 2.049 30 10 IEEE CN(C)CC#CC1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 1889664925 PFZDPKDHBBYKKM-FCHUYYIVSA-N 426.586 2.033 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)n[nH]2)c1C 1891820983 NWBJFZXPAARPEZ-UHFFFAOYSA-N 446.577 2.106 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#N)(Oc2ncnc(I)c2N)CC1 2012583732 FDTFDMLPWKCIHO-UHFFFAOYSA-N 445.261 2.335 30 10 IEEE O=C(N[C@H](CS)C(=O)O)c1ccc(Br)cc1I 2026076230 FCWRXTSWMBOLQZ-MRVPVSSYSA-N 430.061 2.167 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128718904 LPKFNDIJEXBHQS-UHFFFAOYSA-N 447.385 2.059 30 10 IEEE Cc1cnc(N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232277841 HQWCHHKLHSHDKJ-JOCHJYFZSA-N 447.341 2.247 30 10 IEEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248441333 LIBVARMLJIWJLN-WCQYABFASA-N 443.350 2.310 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCCC(=O)O)Cc1ccccc1 2256925950 YSQSEZRUZCQCDK-UHFFFAOYSA-N 427.310 2.227 30 10 IEEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258955740 SWURHOCQBMFFOC-IRXDYDNUSA-N 436.358 2.400 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267002664 CYUIOHCZWZRTML-GOEBONIOSA-N 448.373 2.143 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267130989 VUDFOMSVOXIUHM-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1 2267229364 XGDMZUADMHUWCU-MRXNPFEDSA-N 449.357 2.478 30 10 IEEE CON(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267280332 OSYLTZMZZOXGPJ-QGZVFWFLSA-N 447.341 2.394 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2267501188 UFNQYYGPZHCDFA-WCQYABFASA-N 444.259 2.416 30 10 IEEE CCN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267515012 IIWSTZUOKWNUFF-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267605877 QRZHKARLIJUWER-AZUAARDMSA-N 434.349 2.122 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267843814 GVCHPHMTTHAHRY-UHFFFAOYSA-N 447.385 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268646214 IMQCPIRHXAGZES-CABCVRRESA-N 447.341 2.080 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269047559 UXCHKODKCINSKX-DNVCBOLYSA-N 440.305 2.169 30 10 IEEE CN(C1CCC2(CC1)OCCO2)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282853535 FEQYGHBLEXDOMR-UHFFFAOYSA-N 443.396 2.354 30 10 IEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)C1CC2(C1)OCCO2 2295335574 LZTPCLTVJGLTGB-ZDUSSCGKSA-N 443.396 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300341012 FTOZYXPTFYUBIA-OLZOCXBDSA-N 435.355 2.276 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2301725253 MGXMTTGHXUPAJD-CQSZACIVSA-N 440.371 2.317 30 10 IEEE Cc1cc(CNCC2(O)CN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2320561621 JBLWIYNUTFHIKJ-UHFFFAOYSA-N 432.370 2.366 30 10 IEEE O=C(O)CCc1nnc(S)n(N=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)c1=O 2323028751 PGSAQAVDLYRKIJ-UHFFFAOYSA-N 442.428 2.185 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CCC[C@H]21 2341941264 YXACNQNSZHZHAI-HZPDHXFCSA-N 446.357 2.323 30 10 IEEE NN[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1cc(Br)ccc1I 2342534483 NQJQFPBHUFPTLM-TWJQMWNJSA-N 433.087 2.454 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3ncccc3C#N)CC2)c(C)c1 70922559 RDSUUEIIQYNGDR-UHFFFAOYSA-N 427.530 2.415 30 10 IEEE C#CCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 111192270 XFQRWXWBBTXLIR-OAHLLOKOSA-N 443.550 2.283 30 10 IEEE C[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)[C@@H](C#N)[C@H]2c1cc([N+](=O)[O-])ccc1F 203567272 XCKWHVJEBFUNIZ-RIEGTJTDSA-N 426.408 2.420 30 10 IEEE O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 254484749 ZLSCFQFTIAYTIY-MOPGFXCFSA-N 430.551 2.405 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2cc3ccccc3nc2OCCC)CC1 303509109 CQTOVNIZBWJVPQ-ZHACJKMWSA-N 434.540 2.321 30 10 IEEE N#CCCOCCOc1c(Br)cc(S(N)(=O)=O)cc1Br 395472804 VBGDQSRTVAMRRI-UHFFFAOYSA-N 428.102 2.168 30 10 IEEE CC(C)(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409514734 RIPJZUZZQJXBEX-JLSDUUJJSA-N 444.960 2.452 30 10 IEEE COC(=O)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(-c2ccccc2)cc1 409568804 ZESVBUCWRNQCNY-UXHICEINSA-N 429.498 2.017 30 10 IEEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 441784190 DSUUTWMFNZKKTD-INIZCTEOSA-N 446.515 2.640 30 10 IEEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1 500696192 HCOVNUNVNLOGIZ-UHFFFAOYSA-N 433.917 2.432 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 508716880 PMFIIXWYVWUTID-UHFFFAOYSA-N 425.518 2.486 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)Cc1cc(C)on1 509015650 WLFYLDFUTDIJJU-UHFFFAOYSA-N 435.532 2.355 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 511077331 AHEXLZPXWOYINB-UHFFFAOYSA-N 444.491 2.035 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C(=O)Nc3cn[nH]c3)c3ccccc3)CC2)o1 527251568 PTDZMZPTFJMVKF-IBGZPJMESA-N 433.472 2.290 30 10 IEEE COc1cc(NC(=O)CCN2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 532901799 QOSULJKJNIZCJZ-UHFFFAOYSA-N 425.489 2.130 30 10 IEEE C[C@H](C(=O)Nc1cc(Br)ccc1Sc1nncn1C)n1cnc(C#N)n1 543080867 JCBWRMHGJCAZLE-SECBINFHSA-N 433.295 2.392 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1Cc1ccccc1 549482927 WNEIHSNNHBILSJ-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2Cc2ccccc2)cc1 558928264 XJCAERUCZDEUFP-NRFANRHFSA-N 430.512 2.298 30 10 IEEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C 731310165 BSJVRPYORROOBU-KRWDZBQOSA-N 426.498 2.407 30 10 IEEE Cc1c(Br)c2ccccc2n1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 731862738 KXNYAJYIDXHZJC-HNENSFHCSA-N 431.290 2.355 30 10 IEEE N#CCCN(C(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1 749291517 HLOHSDMANOSVMR-QGZVFWFLSA-N 447.538 2.391 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@@H]2CCCCO2)CCO1 752852801 RBCMUVJTVRDGMT-RBUKOAKNSA-N 440.504 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@@H](C#N)C1 754388300 HDUMHLRXLQUPRM-GUYCJALGSA-N 434.443 2.289 30 10 IEEE CCOc1ccc(C(=O)N2CCC(Nc3cccc(S(N)(=O)=O)c3C#N)CC2)cc1 754972767 GJJBALNATJFDFJ-UHFFFAOYSA-N 428.514 2.321 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N3CCOC[C@@H]3C[C@H](O)c3ccco3)CC2)nc1 756700717 VJKFSGSMNFGWAC-OALUTQOASA-N 425.489 2.049 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccn(C)n2)C1=O 765542225 GLNVNRGXBVYJAY-KRWDZBQOSA-N 448.980 2.273 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccn(C3CCCC3)n2)cn1 769850009 DKGPSWIDDBACME-QGZVFWFLSA-N 429.550 2.482 30 10 IEEE C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 777176471 LSNULKNPVJAWON-HUUCEWRRSA-N 441.509 2.312 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCC(C)(C#N)CC2)ccc1I 779937134 LDLZJMNZPCBISQ-UHFFFAOYSA-N 448.282 2.392 30 10 IEEE N#C[C@@H]1CN(C(=O)CCOc2ccccc2I)CCN1C1CC1 783439640 JACQYMJLTIOIJD-CQSZACIVSA-N 425.270 2.259 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)cc1C 786682769 IKPVYMFMHAACLX-GOSISDBHSA-N 449.598 2.338 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)[C@H]1CCCO1 788829619 SNUYBCPGNXGRCI-MTQWCTHYSA-N 441.528 2.150 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CC[C@H](C(=O)OC)C1 800774726 BUVFENOHFXWLDA-KRWDZBQOSA-N 447.561 2.161 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC1 812416967 JLALMSAERQKFNX-MSOLQXFVSA-N 446.552 2.363 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1)C1CC1 814704986 STDPNEFIWBRXQN-RBUKOAKNSA-N 432.590 2.419 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 914466244 KBFVNKDTWHJLCH-UHFFFAOYSA-N 445.520 2.084 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916776322 ZKSRSIIINGEZSA-GOSISDBHSA-N 443.500 2.125 30 10 IEEE C[C@H](OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)N(CCC#N)c1ccccc1 917243547 ZYQSBHVBZZOBJH-KRWDZBQOSA-N 440.500 2.462 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1C(=O)COc2ccccc21 923285229 BZHDXZCPDLVYKV-MRXNPFEDSA-N 437.452 2.299 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)C1=O 1134249915 MIWINKRYVFQEPC-UHFFFAOYSA-N 449.442 2.042 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1149177532 WZARLVOIALRRLS-KRWDZBQOSA-N 431.514 2.069 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)CCCN1C(=O)OC(C)(C)C 1158572929 DFZUYCNFKBPVHN-QRQCRPRQSA-N 430.505 2.414 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)s1 1167477551 MJUDGTKDTXBYRS-UHFFFAOYSA-N 430.555 2.428 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)c3cc4ccccc4n3CC#N)C2)nn1 1175846433 XHNKUQFNSSNCHP-UHFFFAOYSA-N 435.488 2.478 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OC 1177964803 UTUZGJHWKCHPST-JSRQGNBESA-N 438.521 2.188 30 10 IEEE CCCCNC(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1264969301 WIAHCGOHOXTLBO-WMLDXEAASA-N 434.949 2.382 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286273393 DUVZYYKEPGQQPL-KSFYIVLOSA-N 428.489 2.196 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286291112 BNTFOBJLMUQKBO-VJANTYMQSA-N 435.594 2.182 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1Cc1cccc(N2CCOCC2)n1 1286378998 BHXRLYUJGLBTRC-UHFFFAOYSA-N 432.528 2.249 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286396061 UDXQIHONUAFLQH-LEWJYISDSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCc1nc(C)no1 1286433743 KCABXQCMKFFAEH-UHFFFAOYSA-N 437.529 2.057 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC 1286604487 LMVHRWWFFSXZFE-CYBMUJFWSA-N 439.358 2.447 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1286716510 NIQWGMSVLMVDLM-NRFANRHFSA-N 438.576 2.141 30 10 IEEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1287103020 OFQZDZMDOMSLMC-ZHRRBRCNSA-N 448.568 2.487 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1288506499 FOXFISCOPRYAAZ-SFHVURJKSA-N 437.548 2.137 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1cnnn1 1288981687 HINLSALWQIYJBM-CBGDNZLLSA-N 427.557 2.404 30 10 IEEE Cc1cnn(CCn2c(N3CCN(c4nccnc4C#N)C[C@@H]3C)nnc2C(C)(C)C)c1 1290286980 GLQNRRPKPFLBJB-KRWDZBQOSA-N 434.552 2.158 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1293764762 FWWRKFSNKFMHLA-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1 1294271947 LOAUZHIIIHLJCU-FUHWJXTLSA-N 439.516 2.042 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300500835 DXCUCLHMOYCTBT-XMSQKQJNSA-N 446.573 2.138 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)OC(C)(C)C)CC1 1300692231 AEGJBIAJUUKYCP-UHFFFAOYSA-N 428.512 2.364 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(NC(=O)C3CCC3)c2)CC1 1300709715 CILSSPASBUIOEO-UHFFFAOYSA-N 436.560 2.357 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1300790038 FLVFEADPVBSKRJ-AVIJNYRZSA-N 426.517 2.494 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCN1CC(F)F 1300865203 DLQGDLHPPOUGSR-ZBFHGGJFSA-N 442.532 2.130 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccn1 1301482954 GHMKBCKBNXOOLJ-UHFFFAOYSA-N 444.337 2.380 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301514159 FVYKAADZCXBBSP-HNAYVOBHSA-N 429.496 2.302 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NCC)c2)C1 1301553713 RISMMJJNFPWQKV-IBGZPJMESA-N 433.516 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@@H](C)[C@@H]1C 1301568622 VFKFLRVHSXHSQK-GJZGRUSLSA-N 443.639 2.128 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@@H]1C 1301891512 OYCQCRFIJXEUQS-INIZCTEOSA-N 434.491 2.255 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1302988894 FDRPEXXPBOMEPY-IBGZPJMESA-N 443.573 2.240 30 10 IEEE CCc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1Cc1ccc(C#N)o1 1306210762 WVIWUYFHDKBMID-UHFFFAOYSA-N 444.492 2.003 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1306714317 DXAOODWMQBCHQZ-UHFFFAOYSA-N 432.550 2.001 30 10 IEEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1ccnn1C 1307872407 QUPSNDIEFVJLKX-OAQYLSRUSA-N 434.500 2.201 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)C2 1313191338 SSGJYKJKIVHGHM-SFHVURJKSA-N 446.479 2.020 30 10 IEEE CCOCc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1314320933 YVKKGBYMESBYLP-FFXPCRBQSA-N 428.537 2.356 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1 1354863262 ZACNJTZOVFHQBA-RTWAWAEBSA-N 435.480 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1358894373 NEXLARNOHBCUGW-QZTJIDSGSA-N 434.544 2.303 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2Cc2nnnn2CC2CC2)c1 1358901118 ABVJSZFUWSOKDR-INIZCTEOSA-N 447.547 2.293 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1358940666 GYHSTURLKMOVEW-HNNXBMFYSA-N 446.349 2.272 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 1358946471 WEKMPNIELZUOJT-ROUUACIJSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358963623 LEMUTOBNFQBUFG-GUDVDZBRSA-N 435.638 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc2c1OCCCO2 1358968678 URRXXKKAKKHZLW-UHFFFAOYSA-N 442.479 2.208 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OCC(F)(F)F)c1 1358984173 LKCBOOOMZSHSKY-UHFFFAOYSA-N 448.449 2.264 30 10 IEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CC(=O)N(CCOC)C1 1359012438 LXKPMUUXRQZYQC-IBGZPJMESA-N 434.544 2.236 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1359298017 JYJSVMPIWVNAJG-HXUWFJFHSA-N 444.543 2.312 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccn2C(F)F)C1 1359313432 MDLSBSXSHNFNDL-QRWLVFNGSA-N 438.479 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359330484 SYNRYPWZSJARIS-FQEVSTJZSA-N 449.964 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCSC(C)(C)C1 1359334634 MOEYJPURIQXADW-UHFFFAOYSA-N 438.623 2.072 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1359848540 BKCSUBDIDGCASZ-SBUREZEXSA-N 442.539 2.354 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1360475481 AZSSOTNHNLTVNI-HZPDHXFCSA-N 434.541 2.204 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1360606307 BQGXFWCBYRMOKE-JKSUJKDBSA-N 433.557 2.413 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1360817509 QEIYBLKCNPATGK-MSOLQXFVSA-N 429.546 2.255 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)OCCCn3nc4ccccn4c3=O)CC2=O)cc1Cl 1435232566 PSYOWDNOPISRMI-OAHLLOKOSA-N 439.859 2.007 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1455078488 LRBSPGZSWPTOQE-HIFRSBDPSA-N 443.447 2.255 30 10 IEEE Cn1cc(C2=NC[C@H](CN3CCN([C@@H](C#N)c4ccc(Br)cc4)CC3)O2)cn1 1459895586 IZODPRRFJVZRHE-MOPGFXCFSA-N 443.349 2.210 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 1462013835 XGDFVXIDDFGVCN-UHFFFAOYSA-N 428.470 2.269 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1ccc(CN3CCC(C(N)=O)CC3)cc1)C2 1470523080 ORFRTKLTNLVRAN-QHCPKHFHSA-N 431.540 2.222 30 10 IEEE COc1ccccc1[C@H]1CSCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1471723101 BNEJOIHCIUHSQO-QGZVFWFLSA-N 445.566 2.441 30 10 IEEE C=CC[C@@H](CO)NC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1479292948 HAQCPGIACBBIPH-FQEVSTJZSA-N 432.565 2.476 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC[C@@H]1C 1504517455 DBDXEXVKQXWQBM-WGGBDISSSA-N 441.532 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1507516667 LZYCYCTWLHIKKG-HOTGVXAUSA-N 427.484 2.189 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507575153 SOBSDACVMWAJTB-RXVVDRJESA-N 438.594 2.136 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507717413 BRQOCMDXWPTREK-ICSRJNTNSA-N 429.952 2.405 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)CN(C)C)CC1 1507732403 MIKLZLNGSHCXIR-UHFFFAOYSA-N 440.592 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](OC)C(C)(C)C)CC1 1507742784 QAIBECDVLFIEIE-HXUWFJFHSA-N 438.576 2.291 30 10 IEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507777481 HOPGFRPQENCEJS-IYBDPMFKSA-N 437.294 2.432 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1508079393 TZIFFUUBZCIEFV-HXUWFJFHSA-N 438.532 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(CC)C1 1508079839 DTGUPBLGUMNYNU-QHCPKHFHSA-N 435.532 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508140326 HYPQLKPZSLASDY-IEBWSBKVSA-N 448.593 2.238 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1508788855 DOYYZVNDIMFEKC-MRXNPFEDSA-N 426.521 2.426 30 10 IEEE C[C@]1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1510357340 SXRGVKHRGHUCMX-XLIONFOSSA-N 433.896 2.045 30 10 IEEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCNC(=O)C(C)C)s1 1511741878 GMGVKQBRSIUENN-UHFFFAOYSA-N 438.561 2.428 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1539211309 HGRYDBMFPHALMW-SFHVURJKSA-N 436.965 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N(C)C 1539301339 OSWOJPIPUPDYIC-KRWDZBQOSA-N 425.533 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)C1CC1 1539312492 QYMZYRCFSGQNFM-UHFFFAOYSA-N 427.512 2.120 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCOC)CC1 1539489716 WFHSISMEHSSAIE-UHFFFAOYSA-N 439.560 2.476 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)COC(=O)N2 1539505345 WBOVDORHEKSISC-UHFFFAOYSA-N 432.937 2.439 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539630961 HSUGTOAMMQHKGI-HKUYNNGSSA-N 437.610 2.387 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NC)c2)C1 1540893532 FIFCXRLEKOGTEP-NRFANRHFSA-N 432.528 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccccc1C 1540902791 QGOQGCCESMQAIA-RTBURBONSA-N 443.573 2.480 30 10 IEEE C#CCN(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1562852439 GDGMOEONPBOWLN-OAHLLOKOSA-N 437.319 2.289 30 10 IEEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCc1ccc(C#N)s1 1564953339 DWNXTHOVEOICEX-MRXNPFEDSA-N 430.530 2.007 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 1566308227 OAVHWBOFLHNKET-RBUKOAKNSA-N 425.570 2.186 30 10 IEEE C=C(C)Cn1c(SCC(=O)NCC(=O)N(C)OCC(F)(F)F)nnc1-c1ccco1 1585081762 ZIMFEGAHRCMUAJ-UHFFFAOYSA-N 447.439 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cccc21 1585295833 HKAPJKCJVKUQDL-CZIZESTLSA-N 426.473 2.240 30 10 IEEE C=CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1586138102 WYPKQXONWGFJKE-UHFFFAOYSA-N 427.954 2.034 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1587621367 SRTXRUBIMLDILN-INIZCTEOSA-N 449.559 2.295 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)OCC)c1 1587683990 QJUAHICXNGXFLA-UHFFFAOYSA-N 440.548 2.288 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1588045520 MDBJKZSLJDXTQR-KRWDZBQOSA-N 434.537 2.264 30 10 IEEE CCn1cc(C(=O)N[C@](C)(C#N)COC)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1588193034 JELMQCXOBPIAGW-JOCHJYFZSA-N 445.951 2.085 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1588263235 RMLODTMPFCCEQC-UHFFFAOYSA-N 427.472 2.014 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588813412 XNJBKNBZEYWECM-HBMCJLEFSA-N 444.624 2.163 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)CC1 1594096308 ABNKAAZYGFBZCK-INIZCTEOSA-N 441.623 2.053 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1594830616 ZJGPLMYRLWTNRA-SFHVURJKSA-N 428.537 2.111 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCCc2ccccc2)n1 1612489518 FHHOODCJWLPJQX-UHFFFAOYSA-N 446.559 2.239 30 10 IEEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)o1 1613861927 HWCVSFZZIBSTSW-IBGZPJMESA-N 449.515 2.065 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)s1 1615729836 QRNKLRFXKVKLEP-KRWDZBQOSA-N 435.571 2.358 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1618776468 ZPAAKVSBIJQTBR-SJORKVTESA-N 427.423 2.259 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 1632880256 KMGQKDDPUSDRLH-OBGWFSINSA-N 446.389 2.495 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCn4ncc(Br)c4C3)C2=O)cc1 1634187765 GLFDLCSBGWJFEG-INIZCTEOSA-N 443.305 2.238 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1 1635345696 GURAXPUTBPJKOF-QGZVFWFLSA-N 445.520 2.374 30 10 IEEE CCN1CCCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1638675307 RVDBPVIPXZRRTB-HXUWFJFHSA-N 426.517 2.473 30 10 IEEE CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1639175131 KKMITMWEVSVGJT-BUXKBTBVSA-N 438.937 2.270 30 10 IEEE COc1cccc([C@]2(C)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1640533921 QBGCJQFKHKUHBV-OPAMFIHVSA-N 427.526 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1640584910 GXRLLBYJYUDPJW-PKOBYXMFSA-N 442.516 2.053 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](CNS(=O)(=O)C4CC4)C3)n[nH]2)c1C 1642058432 DVZQBIUUZOZQPH-MRXNPFEDSA-N 446.577 2.010 30 10 IEEE CSc1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1C#N 1644751268 RFBZUGWXVOXYON-HNNXBMFYSA-N 441.575 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)CNc1ccc(C#N)cc1)OC2=O 1644967019 WHWKSLJKCLWCHO-GOSISDBHSA-N 442.516 2.419 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)c1 1648935076 UGFGWOPZNPWCSI-UHFFFAOYSA-N 440.447 2.080 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCc2cccs2)n1Cc1ccc(C#N)o1 1649550854 NJJOHAGGBJKABD-ZDUSSCGKSA-N 434.547 2.142 30 10 IEEE O=C1C=COC2(CCN(CC(=O)Nc3cccc(C(=O)N4CCSCC4)c3)CC2)C1 1654943720 IBORVPYXWFAYMB-UHFFFAOYSA-N 429.542 2.152 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1673623128 MDBKFAROXOEUHU-NKFKGCMQSA-N 448.545 2.308 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 1676888011 QPNOXZCZGWRCLU-UHFFFAOYSA-N 434.436 2.467 30 10 IEEE C=C(C)CONC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682405579 ZZIKFWVMOQUBKV-IRXDYDNUSA-N 437.541 2.071 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCC3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)c1C#N 1685039398 AUUJPCDCVPBLGH-IAGOWNOFSA-N 446.577 2.268 30 10 IEEE C=CCC[C@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1686255437 LSOQOBJJKIOVHR-CABCVRRESA-N 438.491 2.096 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1689861310 SQQGQRXMEAWAIB-HNNXBMFYSA-N 438.561 2.094 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1689922894 DCLXEILCBRPGLF-UHFFFAOYSA-N 431.562 2.227 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1689966236 NJXKOAGXCBZPHB-LEWJYISDSA-N 441.601 2.087 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689986480 QUWUWQLOLDHKBS-QFBILLFUSA-N 432.521 2.136 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689993376 BRZPDNTZESWYRZ-QGZVFWFLSA-N 431.562 2.155 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1690172282 BFUSVAKBGBOIHS-GOSISDBHSA-N 432.594 2.270 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690464479 CCHJXQGKAGXIOC-UWJYYQICSA-N 438.594 2.311 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690481495 HBMSFSPRNVAVGC-JKSUJKDBSA-N 427.505 2.266 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690673854 HIKBFBMWFKWXME-SFHVURJKSA-N 441.561 2.027 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(Nc2cccnn2)CC1 1690722993 DLCYMYYSTBQQEG-UHFFFAOYSA-N 431.566 2.017 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690731760 QGHDKUVNDBHYGS-SFHVURJKSA-N 444.609 2.483 30 10 IEEE CN(CCC1CCOCC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1696791375 AVTXBUBUHICTMP-HNENSFHCSA-N 430.553 2.355 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705566996 SCEYUSCRQIMLAW-SFHVURJKSA-N 444.557 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705586389 HGIATJGIDQCMJS-UHFFFAOYSA-N 441.557 2.297 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705621645 JTUOLPFLRUIFTF-CEXWTWQISA-N 437.610 2.082 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1Cl 1705629189 ZBGNSNYWIVZSHL-CQSZACIVSA-N 440.928 2.107 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(=O)OC)C1 1705656997 PLCJZEGNMOKUFR-MRXNPFEDSA-N 428.514 2.082 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1705701436 GNJXXZGNZLVNRE-GHTZIAJQSA-N 442.539 2.451 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NC)CC1 1705733516 PKVCGYQQDIUODB-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1705765912 GWGXZGUZWMGYSB-UHFFFAOYSA-N 437.504 2.272 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705830138 JVNNABKEGVNQGM-FQEVSTJZSA-N 425.533 2.337 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1705906616 KOTAAZZUVCDRIM-UHFFFAOYSA-N 441.511 2.285 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1705939275 CDCYMKRKZWXPPH-UHFFFAOYSA-N 430.578 2.368 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(C)(=O)=O 1706069901 FHACUBSVLDFQOP-AWEZNQCLSA-N 436.607 2.421 30 10 IEEE CN(C)CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1711013943 HHEWTLVGSQETDZ-NHCUHLMSSA-N 440.548 2.237 30 10 IEEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1711898316 LUUNPUWYQSUVMR-APFMSCDFSA-N 435.488 2.218 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C[C@H](C)O1 1712287013 AHBVFYJELIZLSJ-SUMWQHHRSA-N 425.518 2.265 30 10 IEEE CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1712712142 KFQTYFRLGAYRSB-LJQANCHMSA-N 444.561 2.110 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722286417 HTBNBAGUYCIPQM-SJLPKXTDSA-N 438.557 2.375 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1722361523 FLTXRJHMVDGVJG-OAQYLSRUSA-N 427.549 2.292 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722373015 CYZKNFGDIISCPC-FPOVZHCZSA-N 439.585 2.174 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722428824 KSHREWGPQBYRJF-QZTJIDSGSA-N 435.569 2.419 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1722435421 MLIDJDYMVPYHGJ-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnc(C)s2)CC1 1722442661 XYUPBNIWGCOENU-UHFFFAOYSA-N 438.557 2.434 30 10 IEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1722464194 XKYOHSNBRWHVCG-UHFFFAOYSA-N 431.587 2.224 30 10 IEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1722540531 GANGGFLCAFPXSD-SFHVURJKSA-N 445.589 2.245 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1722665200 LHDCDYICRJUIHM-PCCBWWKXSA-N 442.608 2.292 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1722685295 CFFOUIPPVIBKPR-DOTOQJQBSA-N 437.591 2.070 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722707713 XEERIWWUZXWYCV-UHFFFAOYSA-N 449.559 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1722729184 XUJYEBURWKHYLQ-MISYRCLQSA-N 446.573 2.349 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722734983 LSKWPNPVAATLCN-FQEVSTJZSA-N 428.518 2.489 30 10 IEEE C[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1726531608 GICDPVGHHMDLRC-AEFFLSMTSA-N 429.546 2.400 30 10 IEEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1728401214 GNEZAQDVXRXBHX-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE COCCN(CCC#N)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CC1 1730759316 AWDYCWATXCENNE-UHFFFAOYSA-N 431.566 2.323 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCCO[C@H](C)C1 1730931842 WTMJLBXTNSIQOE-YRPNKDGESA-N 434.585 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1740531528 NVERVFBBGWZISC-IRXDYDNUSA-N 444.967 2.040 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740579506 PJMJAUZVBNJBOY-UHFFFAOYSA-N 427.578 2.015 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740623882 CFBLSGWQNXLUOT-UYAOXDASSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCc2ccccc2C1 1740653431 MLEBCWDOHZTLKN-JOCHJYFZSA-N 430.556 2.141 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1740662317 JKUIIZYIFJGWPS-LJQANCHMSA-N 432.546 2.389 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740943801 LTELRNKSRVCUGL-MJGOQNOKSA-N 431.562 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)c1ccccc1 1740986015 PNCUFIBBGHHBQV-SFHVURJKSA-N 445.589 2.355 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F)S(C)(=O)=O 1741139155 AXUXKEHDPMFWSA-KGLIPLIRSA-N 441.504 2.356 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1747863019 LTSAYDUQMDEABJ-RLBWVDARSA-N 440.479 2.083 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1748805154 PALKHPJFXFBAEH-JKSUJKDBSA-N 431.562 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncc(CC)s1 1748830919 AKDIPDZEGGDEHO-UHFFFAOYSA-N 439.566 2.489 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CCCO1 1748858064 LHHQMSOWVXBZTH-WZONZLPQSA-N 443.548 2.228 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnn(-c2ccccc2)c1 1748888346 UEYXWPMYSBITIG-OAQYLSRUSA-N 427.512 2.121 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCCCC1 1748960958 SGUQDUSNRQATLO-HXUWFJFHSA-N 436.560 2.354 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1749292573 SMNHPIZJMVIRID-HSZRJFAPSA-N 425.533 2.495 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1749348715 WRKXKDURGRQBNX-VFNWGFHPSA-N 431.562 2.212 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749414493 FDFABFFJXVQZIE-HNNXBMFYSA-N 440.591 2.184 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1749459515 LSWVYJIDMYEMEU-HSZRJFAPSA-N 443.523 2.230 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749634775 KGZAFJYMDNXFPA-OXQOHEQNSA-N 443.621 2.199 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749681431 AZJSBKOKGOYTMC-CVDCTZTESA-N 447.580 2.016 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(C)C 1750031008 UHCJDFVERIKRCJ-ZWKOTPCHSA-N 442.568 2.425 30 10 IEEE COCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1750102012 WSOZDTADDSQIAT-INIZCTEOSA-N 436.310 2.099 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1751092915 GACWCSBYEXOJCQ-ZBFHGGJFSA-N 425.459 2.285 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCCOC 1760115075 YMPDERDLDWDVBC-MJGOQNOKSA-N 425.533 2.459 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1760257726 GSDNEBMQWNXASY-QHCPKHFHSA-N 446.603 2.299 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760316033 LKQJGWMTBQJRBA-RBBKRZOGSA-N 430.597 2.092 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1760336512 ARBAYPQVDQCBFC-KRWDZBQOSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760451559 MHGYJNZGWLZMIU-QUCCMNQESA-N 439.560 2.433 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2ccnc21 1760500661 SDUZLHSYNBPCSO-QGZVFWFLSA-N 436.520 2.338 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760505930 SOVKTQHEDJTRNA-SIKLNZKXSA-N 430.553 2.117 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760527923 MKDCKOODTBHECP-DLBZAZTESA-N 443.529 2.295 30 10 IEEE CC(C)OCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1761319323 CUNOGNOWCAHDMX-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1761362559 DJLFPQATDGJMFA-OSKOBQJQSA-N 444.561 2.063 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1763580977 HGMDUGHGOBPOJT-SFHVURJKSA-N 426.521 2.116 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1csc(C)n1 1766408200 WSSFYMLTKPZMCD-UHFFFAOYSA-N 438.561 2.416 30 10 IEEE COc1ccc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1OC 1770071427 SIJXHXSLGNODGD-XUTLUUPISA-N 438.488 2.089 30 10 IEEE COc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1770313739 ZBKZNKKXUAFTNO-AWEZNQCLSA-N 429.502 2.336 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC1(O)CCOCC1 1771298085 KKNCWXVCYJKKOT-WFXMLNOXSA-N 433.553 2.064 30 10 IEEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1772515764 JYVCWIVFUMBAQU-UHFFFAOYSA-N 428.562 2.178 30 10 IEEE Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC5(C#N)CC5)CC4)c3CO2)cc1 1849946365 PXGDHUBKRBZNAZ-HXUWFJFHSA-N 448.527 2.130 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)Cc3ccccc3I)CO2)nc1 1851895191 ZRQUCBGYZBCBMQ-AWEZNQCLSA-N 435.221 2.464 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3nc(-c4ccc(F)cc4)no3)CC1)OCO2 1852941460 NQUSWLDVNXGJHU-UHFFFAOYSA-N 449.442 2.363 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)Cn2cccn2)CC1 1854429873 KFGPCHBRKICKSD-UHFFFAOYSA-N 428.514 2.120 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1F 1854759544 XGCBNPFTCBQUCN-UHFFFAOYSA-N 429.473 2.078 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C2)C1 1857469304 SHJBIKUBZCEZRR-OCCSQVGLSA-N 428.386 2.072 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2cccc(OC)c2)cc1 1858645882 WNJMLYPLOWCVSF-FMIVXFBMSA-N 429.498 2.199 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 1862627235 KTANZAKSOUVWRO-LJQANCHMSA-N 426.400 2.269 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862694645 OBDDJCDUWYJWGH-LJQANCHMSA-N 439.424 2.318 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1 1866204108 KCYDVVXFXUYDHH-BEFAXECRSA-N 433.443 2.312 30 10 IEEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868774708 OKYPMFGJJZJXNB-AEFFLSMTSA-N 432.590 2.150 30 10 IEEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870143918 HOKSMOBLFGUWSF-UHFFFAOYSA-N 436.378 2.432 30 10 IEEE COc1cc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)ccc1O 1874354088 QVWOBNDTIMDDPR-LSHDLFTRSA-N 427.486 2.169 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccn1C 1874432019 KCGLEICLJYWMHD-FOKLQQMPSA-N 439.545 2.483 30 10 IEEE COc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc(OC)c1Br 1891198368 ODUQGHFRXKECEN-UHFFFAOYSA-N 432.278 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 1901227209 OHHDPNDPEHSSPI-ZDUSSCGKSA-N 427.738 2.332 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 1901478915 URFFGABAWZXKCQ-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 2010225997 WBGYMDSXCKGWNE-HYBUGGRVSA-N 429.561 2.389 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2015033968 IBGCOQCHKPWHKL-PFLFCGGNSA-N 439.553 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622023 UTBGSMODGXJIOG-DMRKSPOLSA-N 436.358 2.467 30 10 IEEE Cc1nc(S(=O)(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c(Br)n1C 2163712746 DQZRZKNXMWNYDT-GDNZZTSVSA-N 446.176 2.204 30 10 IEEE C=C(CS(=O)(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243417147 QGIRQEMNFHYNJV-OAHLLOKOSA-N 430.376 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247773623 MCTYAULYMFUDLK-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247954383 XYGIHGAMKMLPCO-UHFFFAOYSA-N 431.367 2.486 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 2248472044 APJWTVZTWBRIHX-GOSISDBHSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627256 QBXOVQABWYKUCX-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255701458 RLIGNJFYLLMSET-QLPKVWCKSA-N 431.342 2.251 30 10 IEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255843884 NIULIQRIXMEGLQ-STQMWFEESA-N 449.382 2.380 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267009538 OSSRSRQEADTWIF-ICSRJNTNSA-N 436.365 2.066 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267120690 NWLJCFFUCJDAGM-ZDUSSCGKSA-N 444.259 2.418 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139116 BLNINEZEYXYNQP-CABCVRRESA-N 448.373 2.426 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1CNC(=O)OC(C)(C)C 2267142311 SABYHJOFQBMTNQ-CABCVRRESA-N 448.373 2.332 30 10 IEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142688 XMMWSAMGALIPKS-QLFBSQMISA-N 446.357 2.036 30 10 IEEE Cn1cc(C(=O)N2CCCN(Cc3ccccc3)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2267177736 RZKRFSVWSQXKAC-UHFFFAOYSA-N 438.381 2.458 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267521109 QHZMJHCQKFIAMK-DEOSSOPVSA-N 438.381 2.422 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267770750 WHBZLDAYDSRWOM-NVXWUHKLSA-N 449.313 2.286 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271389937 VEOOZPKITPGUAQ-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322254094 IFZOHVNILBUXJR-CZUORRHYSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CCO1 2322305939 CKJAHRWGROFGAF-CQSZACIVSA-N 437.321 2.250 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cn1 59831825 SUYADUJXDVDMPL-AWQFTUOYSA-N 440.489 2.135 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CSc2nnnn2C2CCCC2)cc1 109890500 RKAKKKQOQFPPAL-INIZCTEOSA-N 443.558 2.292 30 10 IEEE C=CCC[C@H](CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 320135785 AOABBGIBOJDQMU-SECBINFHSA-N 428.146 2.399 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)c1 409523923 VKZNKLRFFDFEJO-FQEVSTJZSA-N 433.516 2.377 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccncc3)n2)cc1 490064299 HVPKRWCXKNEIJD-OAQYLSRUSA-N 437.463 2.437 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3cc(-c4ccccc4)no3)n2)cc1 490749441 BTNNHJVZMNQSBY-UHFFFAOYSA-N 427.424 2.108 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 505626799 XJLRVWFYLIVGGI-IRXDYDNUSA-N 439.516 2.215 30 10 IEEE C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508498593 TZEAFPDAYDEUTQ-UHFFFAOYSA-N 438.513 2.415 30 10 IEEE CN(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccc(Cl)c1 518443674 MKZWOZCFORJIPO-HXUWFJFHSA-N 446.960 2.347 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)nc1 531630637 XKACWZMRYMPCFU-UHFFFAOYSA-N 430.533 2.123 30 10 IEEE COC(=O)CCCOc1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545466759 HVULWIFOCGXFNK-UHFFFAOYSA-N 437.500 2.317 30 10 IEEE COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 561748123 FZTMNLPPIQKBJQ-OXQOHEQNSA-N 448.479 2.354 30 10 IEEE N#Cc1c(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn2ccccc12 589958412 JFOFTTRXWWDMND-UHFFFAOYSA-N 425.470 2.226 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2sccc2C)cn1 730143423 BMSNUQXHHCLRCZ-MRXNPFEDSA-N 448.618 2.473 30 10 IEEE CCOc1ccc(C2(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)CCOCC2)cc1 735851607 BBGKZNVILYTIKB-QURGRASLSA-N 427.501 2.166 30 10 IEEE Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737304799 BXXMBOYGNCOTSE-QZQOTICOSA-N 434.452 2.368 30 10 IEEE COC(=O)[C@@H](OC(=O)Cc1c(C)nc2nc(SC)nn2c1C)c1ccc(C#N)cc1 740193443 LRJZNHQIEUUFEL-KRWDZBQOSA-N 425.470 2.335 30 10 IEEE COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 742531138 WWZFTUOZWDGDSA-AWEZNQCLSA-N 436.320 2.431 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)cc1 742810435 YCIUCJVCGUCSAT-UHFFFAOYSA-N 428.510 2.483 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)c2C)cc1 758069407 PACCUCFEBNHKQH-IBGZPJMESA-N 442.589 2.237 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758767890 GYVORINIQAXNIN-RYQLBKOJSA-N 435.569 2.328 30 10 IEEE C=CC[C@]1(C(=O)OCc2nnnn2CC2CCOCC2)CCCN1C(=O)OC(C)(C)C 768892932 LQAGNFDBXVPJQA-OAQYLSRUSA-N 435.525 2.489 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CCC#N)Cc2ccccn2)C1=O 771464752 SNYRFSPPOMASHM-QHCPKHFHSA-N 435.484 2.108 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)n2)cc1 779977548 MQFOVYCMHLEADJ-HSZRJFAPSA-N 446.467 2.222 30 10 IEEE C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 781994739 UJHDBMWBJGYYFF-FQEVSTJZSA-N 441.509 2.070 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]3C2(C)C)CC1 783592724 MFLFTMGEIYEOEY-QZTZHPFYSA-N 447.576 2.073 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 788813400 FWEOPCOQRUWANY-UHFFFAOYSA-N 435.278 2.405 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)n1 788942883 HLNSNJOTDAGDCT-IBGZPJMESA-N 425.533 2.209 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1 790105919 HRKZWOKZAYXJNE-WMZOPIPTSA-N 434.537 2.252 30 10 IEEE C[C@@H](C(=O)OCc1cc(Br)cc2c(=O)c(C=O)coc12)n1cnc(C#N)n1 798742604 QKECCGIQDXLXTG-VIFPVBQESA-N 431.202 2.136 30 10 IEEE COc1cc(C#N)ccc1OCCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 805431560 FQIWPIJJZBOGKL-OAHLLOKOSA-N 436.511 2.404 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1)c1ccc(Cl)cc1 810473791 HUDSBOAJLYTLIJ-OAHLLOKOSA-N 435.889 2.149 30 10 IEEE Cn1c(=O)c2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)sc2n(C)c1=O 1141447868 TXAGMRJVJFVRHW-GFCCVEGCSA-N 433.287 2.056 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)C1 1143720936 ZXGQKIKJODRUIM-OALUTQOASA-N 425.510 2.220 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3C(=O)NCC(F)F)ccc2c1=O 1158319667 WZXGDRSYIPHXTH-HNNXBMFYSA-N 436.484 2.247 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 1221502239 DGQAWOPGRGVEEU-IBGZPJMESA-N 429.517 2.082 30 10 IEEE C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)N1CC(F)(F)F 1248375630 NTEXLKKUEOSHMK-DAYGRLMNSA-N 437.466 2.326 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)N(C)C)CCCC1 1286304119 URCBIPMYVGUARF-INIZCTEOSA-N 442.589 2.376 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286354206 HZTGDDOGFFLUSJ-UHFFFAOYSA-N 435.557 2.405 30 10 IEEE C#CCCCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1286357411 JEQAFWYECBDVDT-XXBNENTESA-N 439.564 2.239 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N1CCOCC1 1286441928 HEPHOAZGUVVFBJ-GOSISDBHSA-N 425.562 2.273 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3cccc(C)c23)CC1 1286470256 VVIMWMJDUOSGNP-UHFFFAOYSA-N 433.560 2.204 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)OCCO3)CC1 1286494240 SWSKSTMVIHBSRL-UHFFFAOYSA-N 437.544 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCSC(F)(F)F)CC1 1286495518 YFVGCFRRGNCWQW-CQSZACIVSA-N 431.484 2.348 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286559752 AHLHKCUNPXKUGG-LPHOPBHVSA-N 448.593 2.063 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1286715523 KVPYUTXPRPNKGH-UHFFFAOYSA-N 437.953 2.061 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CCc1cccc(F)c1)C1CC1 1286778451 FECCDBFZDCNTFZ-UHFFFAOYSA-N 440.523 2.167 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCc2ccco2)C1 1286811613 GBMPJXLBDKLDKC-GOSISDBHSA-N 442.545 2.325 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@H](C)C1 1286823567 WHVGGZIVBLTRQQ-HDICACEKSA-N 443.573 2.496 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccsc1 1297288586 YKFUWFPFXNUIQH-MRXNPFEDSA-N 438.561 2.496 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1300385817 GUKMRCJWQGLXPW-HXUWFJFHSA-N 429.525 2.402 30 10 IEEE C#CCCCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1300425839 YQUQEXQHZQPFCS-HSZRJFAPSA-N 429.565 2.325 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300504237 KTFPWKAXJZESDG-QYZOEREBSA-N 428.558 2.448 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1scnc1C 1300520108 HIXBXYXZCFTHNS-UHFFFAOYSA-N 429.513 2.001 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCOC[C@H]1OC 1300596252 VXGIGSUAMFUWAV-DENIHFKCSA-N 438.528 2.380 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2c(C)nn(C)c2C)CC1 1300705609 AXRXOXCJSSJWHB-UHFFFAOYSA-N 433.560 2.053 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)C1 1300870040 PEOSGLMLVIDSOA-CRAIPNDOSA-N 433.459 2.464 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301060314 DSNMHKKEXHWZGH-XLIONFOSSA-N 436.944 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301588337 YFLXVBHKXADIQD-KRWDZBQOSA-N 439.626 2.209 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1302190308 SOFYVPJXMPUGDY-IBGZPJMESA-N 438.488 2.315 30 10 IEEE CCc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1306107706 AIIRCRILKYANGV-FMBJTNBESA-N 442.545 2.395 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1306497299 DEPTZDLQZUFYAK-IBGZPJMESA-N 437.548 2.180 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1)C(C)(C)C 1310050695 MYPZJJQMKCCNAH-MAUKXSAKSA-N 435.546 2.430 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCCC2)C1 1314673964 DDFZVJZFEDGGOS-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1315608439 GWEMTVOIEBUSJL-ICSRJNTNSA-N 440.548 2.039 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1316171900 XYHUMIHWGUARBS-CEXWTWQISA-N 434.585 2.241 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(Cl)nc2)c1 1316529613 AYIPCDUBGSIUNB-UHFFFAOYSA-N 428.905 2.148 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 1321825877 AEEVLSDBLXELLH-HNENSFHCSA-N 438.406 2.397 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 1321841037 IVGRGAJFHVUKFO-QGZVFWFLSA-N 428.576 2.217 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 1354429518 RIFFHXNDZAANLD-VOTSOKGWSA-N 434.500 2.008 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1358879479 RSMNTNBBRPOADC-CQSZACIVSA-N 448.936 2.164 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1oc(CC)nc1C 1358946283 PIYDUDFOLPGRGF-UHFFFAOYSA-N 427.534 2.215 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358960405 DJVSKHTXIKPTAQ-HOTGVXAUSA-N 427.530 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359044945 SBBRRCOMEXGAJQ-RTBURBONSA-N 426.609 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)C2CC2)CC1 1359046046 BUMQRYSOEYYRAL-QFIPXVFZSA-N 427.574 2.057 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359060164 MTJQLDFENAKSKG-MSOLQXFVSA-N 428.514 2.380 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1359231900 ILPBJIZDJGODLZ-HSZRJFAPSA-N 442.564 2.221 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCC2)C1 1359314749 HJJGFVAAYLYHBC-LJQANCHMSA-N 445.589 2.226 30 10 IEEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)N(C)Cc1ccccc1 1360529450 HGVMFQBBFSSWBW-FDDCHVKYSA-N 439.539 2.477 30 10 IEEE C[C@@H](Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C 1360587789 POXOTNQNVNLPKF-GXYOHSSGSA-N 435.548 2.441 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1360797039 JDXWLWWRHMNXNE-FDDCHVKYSA-N 438.532 2.246 30 10 IEEE COC(=O)[C@H]1Cc2ccccc2N(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1439662490 SDXWSIQQZJFDDH-HKUYNNGSSA-N 446.463 2.142 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)cc(OC)c1OC 1442582577 KZWIEZSTNQVUHN-CYBMUJFWSA-N 439.877 2.159 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1461139845 NCYLJBSKBLYECQ-LJQANCHMSA-N 447.601 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC3(CS(C)(=O)=O)CC3)C2)C1 1470072918 KQPJSHBMHUROKK-TZQQIIETSA-N 439.578 2.104 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCN(CC(C)(C)O)C1 1471001854 KPJQVKXUWBVARO-AWEZNQCLSA-N 440.338 2.060 30 10 IEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1471083836 RCRKYNLDUTWQEZ-JOCHJYFZSA-N 426.542 2.114 30 10 IEEE COC(=O)C1(CCCCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1472247278 PEGGTUQFULEQEB-OAHLLOKOSA-N 435.546 2.134 30 10 IEEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)CC1 1479257415 LYJNKFWQMRSUHD-UHFFFAOYSA-N 441.575 2.297 30 10 IEEE CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1501532167 PGVDTDNGZHHSDO-WUKBZCGHSA-N 446.552 2.080 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1507538352 LPIVLZIPCNGUTN-IAGOWNOFSA-N 433.553 2.350 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2cnn(C)c2)c1 1507551431 DWTMVZCOHJSTMR-UHFFFAOYSA-N 440.511 2.102 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCc2ccccc2C1 1507657715 YIJMFEGKBXFHSY-UHFFFAOYSA-N 427.556 2.271 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@H]1OC 1507982539 NBFSLWLMYRZOJQ-RTBURBONSA-N 427.553 2.126 30 10 IEEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC)C1CC1 1507994747 XVYLBYOTAMHZAG-UHFFFAOYSA-N 438.580 2.379 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CC1CC1 1508076366 ZKMFZVJVWVSFAU-UHFFFAOYSA-N 445.593 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)C#N 1508139233 FABZFEDHNBFITK-KRWDZBQOSA-N 439.545 2.327 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1508598746 ZXGSPZHWRIALGB-UHFFFAOYSA-N 448.579 2.137 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1509439698 KNNORDSBRYAVDB-ZRCGQRJVSA-N 448.612 2.414 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)o1 1510856358 UKYKCPYLIAEMCP-UHFFFAOYSA-N 443.529 2.416 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1514552703 CZPVGWCGVAOCJM-FQEVSTJZSA-N 440.548 2.066 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](F)C1 1517073686 DSHASLJNCNCBQQ-MJGOQNOKSA-N 426.496 2.250 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1517528271 HJVKGOOAVIJPGS-UHFFFAOYSA-N 435.488 2.036 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CC2)C[C@H]1O 1517690565 SEPWVXIYSYPIDX-IAGOWNOFSA-N 427.530 2.073 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1COCCO1 1519152454 QDLCEBZCLRTGKL-NHCUHLMSSA-N 441.532 2.112 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccncc3)n1CCOCC(F)F)C2 1521083204 VANYFIJMKGTSIZ-UHFFFAOYSA-N 441.442 2.081 30 10 IEEE CN(C)S(=O)(=O)C[C@H](NC(=O)c1cccc(F)c1OC(F)(F)F)C(F)(F)F 1525724939 HEGDZVYZMNTHAS-VIFPVBQESA-N 426.310 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccc(C#N)cc3C2)(S(C)(=O)=O)CC1 1530033880 DQWRBBUNPFJLMG-UHFFFAOYSA-N 433.530 2.215 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 1530326499 LHZHEZJNHARYMF-UHFFFAOYSA-N 432.933 2.405 30 10 IEEE N#Cc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)s1 1536695409 VYMFNTYSUPHXAC-UHFFFAOYSA-N 436.238 2.130 30 10 IEEE O=C(CCN1CCCS1(=O)=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538726271 HCFSYBWFKBHXQW-DTORHVGOSA-N 444.344 2.041 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1539526468 KKZFUYLABYQUDO-NRFANRHFSA-N 432.521 2.358 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539670221 ZAUMVDGJNLCGDI-GUDVDZBRSA-N 439.626 2.082 30 10 IEEE C=C(C)COCCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OCC)CCOC1 1539759320 GTVRSYKSEAEQNG-JOCHJYFZSA-N 429.521 2.186 30 10 IEEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1539804278 UNDPULOEBFKTIE-QGZVFWFLSA-N 441.020 2.282 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1Cc1nncn1CC 1540122697 YZPHYFHQRHRKFH-UHFFFAOYSA-N 426.488 2.459 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1 1540179999 FFWMKCMGSLWLJD-UHFFFAOYSA-N 434.544 2.378 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC#N)CC1 1540863971 LKSAMQKLZFDACV-UHFFFAOYSA-N 432.326 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(F)c1 1540901650 LFPBYGJNAMXVHS-UHFFFAOYSA-N 446.508 2.120 30 10 IEEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1555497663 ZMEVRHFACOEBIV-FQEVSTJZSA-N 441.557 2.382 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1556564821 ACCZYNINEFXTSV-ZDUSSCGKSA-N 434.294 2.111 30 10 IEEE N#Cc1cn(CCNC(=O)CCCSc2ccc(Br)cc2)c(=O)nc1O 1557601401 SZCLJTJDQMCYBX-UHFFFAOYSA-N 437.319 2.272 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CN(C(=O)OCC)C[C@@H]2CO)cc1 1562265112 RHRMVFVODRBFJR-MJGOQNOKSA-N 430.505 2.072 30 10 IEEE N#Cc1cnn(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c1N 1586046603 QOWQJTZSBVPXED-UHFFFAOYSA-N 427.873 2.430 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCN(C(C)C)CC1 1587926803 IPNFHDBJSCAUSH-UHFFFAOYSA-N 427.549 2.267 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588030665 ZICQITWJRRACOD-QXAKKESOSA-N 441.557 2.355 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1588058818 CYYZVASCDHYASA-PMACEKPBSA-N 448.564 2.450 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1588974807 BUYHAQSGDGNHSY-IBGZPJMESA-N 449.621 2.337 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589513654 AXEYXQRQZFRXSP-HKBOAZHASA-N 425.533 2.268 30 10 IEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1593865075 AFRMXMNPWCBIQJ-DNVCBOLYSA-N 431.972 2.405 30 10 IEEE C=CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1594773357 ARHBBNXSLQZXFJ-HSZRJFAPSA-N 437.548 2.490 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O 1595141561 IKNHFZIVZPYKQN-UHFFFAOYSA-N 446.558 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)C1 1595496970 MLRZYNKPLYTZBI-UHFFFAOYSA-N 436.516 2.298 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1595614434 TYUZKYRFUKZQEW-PKOBYXMFSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1595785178 SMFFADIWTXMRNM-LJQANCHMSA-N 442.545 2.327 30 10 IEEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OC 1596235087 VMQQKIQNYRNFMP-SFHVURJKSA-N 444.500 2.380 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)CCCC(=O)Nc2ccccc2C#N)c(C)s1 1596643662 OYHDDPNNGUFMBV-UHFFFAOYSA-N 448.570 2.440 30 10 IEEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)cn1 1598357233 COCVUQYWCVNIPI-DEOSSOPVSA-N 446.559 2.433 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 1615387443 GXHGVLMHNYNIBN-UHFFFAOYSA-N 426.423 2.052 30 10 IEEE Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2ccc(C#N)cc2I)C1 1616832989 CJSWUJFQXBTPCR-HNNXBMFYSA-N 435.225 2.337 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1618725907 FAOQUSZTDHXJBK-KRWDZBQOSA-N 444.532 2.223 30 10 IEEE Cc1c(Br)cnn1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1624143993 BDLWLXUNEOUUKM-UHFFFAOYSA-N 445.277 2.423 30 10 IEEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1626983224 LTQQRBJKBHMHQM-RXVVDRJESA-N 428.529 2.393 30 10 IEEE Cc1ccc(C(=O)NC(c2nccn2C)c2nccn2C)cc1B1OC(C)(C)C(C)(C)O1 1629670211 ZZHSXZFCMJKTNG-UHFFFAOYSA-N 435.337 2.281 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1633175319 AGZLFMQMEIJVOK-JQHSSLGASA-N 444.391 2.486 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1637347308 LMYYCGSNQLQUMM-QGZVFWFLSA-N 444.536 2.418 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](N4CCCC4=O)CC3)ccc2c1=O 1637985362 UIIFXVBERLACCY-MRXNPFEDSA-N 426.542 2.488 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)C1=O 1639594039 GBMXYXNYTBVESA-KRWDZBQOSA-N 435.565 2.164 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(c3nnc(N)o3)CC2)C1 1639685233 ZXNVPJSQCCVMCL-UHFFFAOYSA-N 431.294 2.128 30 10 IEEE C#CCn1cc(CNC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)cn1 1640013040 WMLKKRKMQGUCDZ-IBGZPJMESA-N 442.317 2.124 30 10 IEEE CCOC(=O)[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCOC1 1642685216 OULSQIJCQKFLDK-LPHOPBHVSA-N 426.435 2.121 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1643793984 NLCZWAYYIMGYGI-HNNXBMFYSA-N 429.525 2.270 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CC1 1644042040 KVAKFZAFFWYCLS-HDJSIYSDSA-N 443.363 2.296 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C[C@H](O)c1cccc(C#N)c1 1645382728 GHWHZYCEYFSVRV-PMACEKPBSA-N 430.549 2.477 30 10 IEEE C=CCOC[C@@H](NCc1cc2cccnc2n1S(=O)(=O)c1ccccc1)C(=O)OC 1664471273 YNAFQICYYVJVES-LJQANCHMSA-N 429.498 2.107 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1 1666222733 SKYYQRZOCJKNFM-MISYRCLQSA-N 428.533 2.266 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3C)CC2)C1 1685177494 WDYYQUVTCCHALX-RTWAWAEBSA-N 426.561 2.022 30 10 IEEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)C2 1687459379 ZEWMECWWVSJVMM-HNNXBMFYSA-N 446.577 2.318 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1689824653 UTZMRORGYPSWOB-INIZCTEOSA-N 433.520 2.050 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1690051061 LBOLYJSPWMNIQE-UHFFFAOYSA-N 437.507 2.355 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCS2)n1 1690109210 KGZBLYBODKTOPP-PKOBYXMFSA-N 430.578 2.160 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H](C(C)C)N1CCOCC1 1690193559 MSOFRVUWLPBVCT-MIZPHKNDSA-N 433.597 2.351 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690470448 BTXLCNGPZZXOGK-FOIQADDNSA-N 437.541 2.092 30 10 IEEE CC(C)Oc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1690993037 DGJBOIVVRZDNTR-HOTGVXAUSA-N 434.566 2.320 30 10 IEEE C[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1693845529 BIKAEHXJXGYRNW-WDSOQIARSA-N 438.532 2.103 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1694608884 ADSVXDKTVOAABB-CQSZACIVSA-N 442.911 2.075 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H](OC)C(F)(F)F 1696298096 ACVMWQIBEWBQQX-OAHLLOKOSA-N 440.426 2.317 30 10 IEEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)ccn1 1696533193 BKLKMSIEKNQWGC-UHFFFAOYSA-N 449.540 2.220 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1696844561 UHQPPZYELQPAGD-UHFFFAOYSA-N 430.534 2.163 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C1 1698210985 XBZLFKZFPCGOTE-SFHVURJKSA-N 440.529 2.475 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705525359 FWNGFUAOQFIRHK-CQSZACIVSA-N 440.367 2.083 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1coc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1705570205 LHLFSSASZYYDMA-GOSISDBHSA-N 425.514 2.171 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CCOCC1 1705595748 FFFXDDRZIMJTDC-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2cccc(F)c2)CC1 1705649091 JZKWFALGAHGLLZ-UHFFFAOYSA-N 436.491 2.457 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nncn1C 1705864184 SWUHXUGHJJOINL-HXUWFJFHSA-N 429.550 2.361 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1705877974 GJYRPEZDPPERKF-RBUKOAKNSA-N 436.560 2.379 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC)C1 1705925053 JYNLYHINLCCZTE-QFBILLFUSA-N 448.545 2.007 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1722290471 FZGYBIOSJZMIHI-INIZCTEOSA-N 434.500 2.170 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722358087 DJUXCEOXQFLBLJ-DLBZAZTESA-N 435.619 2.393 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CCOC)CCC1 1722377096 OZNMGELOEMTWEJ-UHFFFAOYSA-N 430.516 2.200 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)cc2F)CC1 1722441912 WWOJOEQXVGLHRF-FPOVZHCZSA-N 427.524 2.253 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1nccs1 1722459457 KLEPQKMQBXGQOT-LSDHHAIUSA-N 439.632 2.243 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1722525383 FCPZGOOKEQDNHM-QFIPXVFZSA-N 448.571 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CNC(=O)C(C)C)C2)nnc1C(C)(C)C 1722731249 HWZQGJBTHGARBR-KRWDZBQOSA-N 439.626 2.165 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1723779723 YGRGMTDQTRBUPV-CQSZACIVSA-N 441.927 2.078 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCN1c1cnn(C)c1 1730932539 HZISZBTXYRYQFZ-RMJJICAUSA-N 442.568 2.000 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740621940 QMQUCCJHTGPWEE-QGZVFWFLSA-N 435.619 2.300 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCCO[C@H](C)C2)CC1 1740702735 WRWPHOZBFYJWCX-LJQANCHMSA-N 444.624 2.042 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740719016 GFUOQUIHFFQKCR-KDOFPFPSSA-N 447.511 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1740725692 TUHVLICTRPDMPF-DBXWQHBBSA-N 436.626 2.145 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1740953543 JGWRFDHIZUBSDE-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1741001469 VCELROFHIUAYAV-UHFFFAOYSA-N 446.577 2.278 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1748751808 MLHFRJKMNNDZBF-SFHVURJKSA-N 443.552 2.333 30 10 IEEE C#CCN(c1nnc(C)n1CC(C)(C)N[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748805163 PDHWYUNRXWRITC-FXAWDEMLSA-N 429.590 2.343 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1748991120 QSBJXFBYAVIXSM-RTWAWAEBSA-N 428.625 2.438 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1749053735 KXYOHNHPDANFSE-MGPUTAFESA-N 434.566 2.178 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(C(=O)N(C)C)CCCC1 1749073673 VCXXQSBABDDGAP-JOCHJYFZSA-N 426.565 2.041 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749409290 TXSVTZRBCJXSKC-UHFFFAOYSA-N 428.512 2.370 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749458776 NPJXXCRBOJAMMR-OAHLLOKOSA-N 435.488 2.056 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1749546571 AUCZUSKXVRWCPG-UWJYYQICSA-N 431.537 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1749664585 SKQJQAGGVLFDMD-UHFFFAOYSA-N 439.907 2.371 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)C1 1749695678 HGFMYEAEQLQCDW-OAQYLSRUSA-N 433.516 2.489 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NC(C)C)C1 1749703802 PBPFYAIQKJOEEF-QGZVFWFLSA-N 427.505 2.370 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C#N)CC2)CC1=O 1749860793 AMGCTJNQCFDKIV-LJQANCHMSA-N 433.516 2.052 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1750327431 OOISVAHQPGUILC-LJQANCHMSA-N 440.573 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1760109698 CLYOVQLNFLFCAB-YJBOKZPZSA-N 429.594 2.036 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760139075 QKZYZEYTPUNCRO-DNVCBOLYSA-N 432.471 2.311 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760184762 LIJWBLYJRVZSHH-SFHVURJKSA-N 425.489 2.154 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1760184785 YYSNYYLJPZEJRO-FQEVSTJZSA-N 429.590 2.337 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCCC1 1760218255 BHIUHKOMUVOMSM-UHFFFAOYSA-N 433.560 2.220 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc(F)cc2)CC1 1760251618 DNTWOTGCAKUJGE-UHFFFAOYSA-N 426.540 2.288 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@]1(OC(C)C)CCOC1 1760327834 MOTYCKRXDOYAFK-YWNPBTLJSA-N 449.596 2.118 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)CC1)c1ccccc1 1760420476 PLVXECZJOLLPJA-IBGZPJMESA-N 427.574 2.329 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1760529490 IANYHRLVBRMDFT-JPYJTQIMSA-N 425.533 2.358 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCCC2)C1 1760533018 ABPAQTYSCZTGJU-VQTJNVASSA-N 430.597 2.416 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCCO1 1761360296 JSPRDYPKFSQWGE-JKSUJKDBSA-N 430.509 2.330 30 10 IEEE CC[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)OC 1764209606 CGAAJJPOSXOKJM-SJORKVTESA-N 432.912 2.015 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnc1C 1765282750 ADCCETXEJYPWFP-UHFFFAOYSA-N 441.561 2.283 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1765476643 DMIIJUOGRAROIK-QKKBWIMNSA-N 445.499 2.000 30 10 IEEE CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1767739841 UNRXXNNCTKBWPO-IBGZPJMESA-N 439.564 2.438 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C(C)C)N1CCOCC1 1770172466 KSNLAHMQAFXATD-WCIQWLHISA-N 434.585 2.097 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCOC(F)(F)F)cc1 1770735692 NHXCGNBOQIIBHG-JKSUJKDBSA-N 434.422 2.458 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)c1 1770745928 GHKPZPOUJLFSDU-NFBKMPQASA-N 437.523 2.496 30 10 IEEE N#Cc1ccc(NC(=O)c2ccc(N3CCS(=O)(=O)CC3)cc2)c(Br)n1 1851783876 JWGVVHXSBDPNDZ-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2cnnn2-c2ccccc2C)CC1 1852551600 CLXBDRXPHNDFRK-UHFFFAOYSA-N 446.511 2.179 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)Cc3ccc4oc(-c5ccncc5)nc4c3)CC2)n1 1852722354 XSVMWYXOCFROPK-UHFFFAOYSA-N 425.452 2.443 30 10 IEEE CC[C@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1C(=O)COc2ccccc21 1853081169 XQAZWGPKZPORLG-LLVKDONJSA-N 433.408 2.061 30 10 IEEE N#Cc1ccnc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4CCCS4)C3)CC2)c1 1856954151 LOMXQOURZBMLMV-RTBURBONSA-N 428.558 2.315 30 10 IEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCC3)cc2)c1 1858977798 UDLXXQPNOHUWKJ-UHFFFAOYSA-N 440.525 2.461 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 1866235821 UWGJAMABFTXAKF-OAHLLOKOSA-N 444.467 2.195 30 10 IEEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1870107079 RCUJQDVQTPPCFZ-HNNXBMFYSA-N 428.452 2.438 30 10 IEEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870109390 SLGPKJFTKVYZFF-HNNXBMFYSA-N 448.414 2.027 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 1875230675 JPKREKKNRBLFFY-GOSISDBHSA-N 429.908 2.481 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)cs1 1890913144 OQDDGAKJKBDSHC-UHFFFAOYSA-N 449.554 2.146 30 10 IEEE C=CCN(CC(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985006171 AAXSKFJWSWRCMD-NRFANRHFSA-N 427.542 2.288 30 10 IEEE C#C[C@@]1(Oc2ncnc(I)c2OC)CCN(C(=O)OC(C)(C)C)C1 2012488001 ATXQRJAPORZIKD-MRXNPFEDSA-N 445.257 2.481 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C[C@H](CO)C1 2073620211 SXEANVZRWDSYOD-GVRJUGSUSA-N 436.358 2.203 30 10 IEEE COC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2128725049 LFEWYSBROJRUDK-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE C#CCn1ncc(NC[C@@H]2C[C@@H](OC)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2172450046 UIVGLCSBGUOSIS-QWHCGFSZSA-N 441.326 2.075 30 10 IEEE Cc1cnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224116561 CUXDEQORHRUTEX-DOTOQJQBSA-N 433.358 2.329 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)OCc2ccccc2)C1 2243406127 SKOMLBGAGYNZGG-UHFFFAOYSA-N 439.321 2.075 30 10 IEEE CCN(CCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243416418 FKXQOKXDOYALKJ-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247908409 TTWKTSTWCRVNEE-DABQJJPHSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254794822 FODCZVSZIUFEJE-QFIPXVFZSA-N 433.358 2.237 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)N3C[C@@H]4C(B5OC(C)(C)C(C)(C)O5)[C@H]4C3)(C1)C2 2254809189 MWTFDRDYTYKCHG-KAJWEHKCSA-N 434.342 2.363 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@H]2C1 2255380005 SZBCXKRVAOFGBK-PMPSAXMXSA-N 431.342 2.427 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255812661 OGTRRTOQSDBGHB-MELADBBJSA-N 449.382 2.428 30 10 IEEE Cc1c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832670 PPDJPZGLVOKJKC-INIZCTEOSA-N 426.370 2.278 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256015320 UWUZQNFVSALRMD-XJKSGUPXSA-N 432.326 2.334 30 10 IEEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256621056 PVWOXOADYOGSDB-QGZVFWFLSA-N 434.342 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256621297 SKQBWLUFMYTERC-FICVDOATSA-N 449.382 2.171 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267093060 ZTXBKHHEEYLQTO-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2267099255 JHMICHBBXFAVKL-IMJJTQAJSA-N 446.357 2.084 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267491993 MGJAZOQLJGWLNN-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2267516375 CTYALXCECJNRDV-SHTZXODSSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@@H]21 2267518306 CXUHFOCTADJORZ-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2267550388 YXXHEKQTQVMNIS-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267586932 QQATZRMRQICRAT-TZMCWYRMSA-N 441.259 2.052 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCCC34OCCO4)s2)OC1(C)C 2267714840 OALQDOXYRSSZFQ-ZDUSSCGKSA-N 429.369 2.011 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2COCC[C@@H]21 2268648316 XXPMNTBUPRELKC-KURKYZTESA-N 448.369 2.400 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2272632298 FFVBUIXAOBNQAQ-CMJOXMDJSA-N 443.353 2.368 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2278793500 LYWNBFFEWNKPSH-GJYPPUQNSA-N 425.323 2.043 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2307106269 LJEWUSJCCAPXTB-CQSZACIVSA-N 441.525 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2310283521 DLUGORKJWIVQKD-UHDSXZAQSA-N 436.358 2.297 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(OC)c(O)c1 2331612506 HILSJROXZURFOT-UHFFFAOYSA-N 441.513 2.429 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203130 SUWZOPVINDSBKM-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE O=C1/C(=N\NS(=O)(=O)c2ccc(F)cc2)c2ccccc2N1CCN1CCCCC1 59161174 UZIGPROZRQOXSC-ATJXCDBQSA-N 430.505 2.341 30 10 IEEE C=C1C[C@]23C[C@@]1(OC(C)=O)CC[C@H]2[C@@]12C=C[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 197452751 IIIWPXACKNAFED-JQZXOIDBSA-N 444.480 2.257 30 10 IEEE in-vitro COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)NCCc4ccccc4)cc3=NC2=O)cc1 208174345 GQUNLJOWTROGKO-KQWNVCNZSA-N 439.471 2.214 30 10 IEEE CCN(CC)c1ccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 252606799 GVINHNIBLFZRNB-UHFFFAOYSA-N 439.564 2.442 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C#N)cc3)n(C)c2)C1 460279955 ZZYZKUVQJONVPY-MRXNPFEDSA-N 430.530 2.126 30 10 IEEE CC(C)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 462442603 BGAXQEDLJNQOIR-UHFFFAOYSA-N 433.555 2.377 30 10 IEEE COc1nc(N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)ncc1Br 473923624 KYUZRBWOGLNRHD-UHFFFAOYSA-N 442.317 2.500 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 507723644 HLGGMYXHRJMQJJ-KRWDZBQOSA-N 429.590 2.306 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 527178680 QPSXXDQTKQVAFE-ZIAGYGMSSA-N 446.495 2.004 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 539505538 GEQXLBSANLKWEY-OAHLLOKOSA-N 446.533 2.311 30 10 IEEE Cc1cc(=NC(=O)[C@H](C)SCC(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)[nH]o1 542978539 CHXICDCUUBJJJK-LBPRGKRZSA-N 444.904 2.237 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 543860862 QAYUNBQKDFCRER-CHWSQXEVSA-N 447.538 2.177 30 10 IEEE C=CCNS(=O)(=O)c1cccc(-c2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)c1 546509248 KJYNGHOASMTQNJ-UHFFFAOYSA-N 440.529 2.015 30 10 IEEE O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 578250046 NWJAIPGANPKAHX-UGKGYDQZSA-N 433.508 2.104 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 581025015 ZEXDEUDENWXLFV-CABCVRRESA-N 437.570 2.355 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCCC3CS(=O)(=O)C3)c2)c1 615734901 FYZQQWVDKZTUSA-UHFFFAOYSA-N 426.494 2.429 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)cn1 732796369 DALWYBCARAFALC-UHFFFAOYSA-N 443.532 2.420 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)CC(=O)N2C)cc1 734920406 KEOFQBJSKJLZKV-RXVVDRJESA-N 427.501 2.443 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)cn1 735069113 QERWJSAFMHKAMO-UHFFFAOYSA-N 430.599 2.142 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 741912729 SGIVKSKQHFHHEO-YADHBBJMSA-N 446.503 2.435 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)CC2)o1 745232617 FGUAYJRFRASIII-LSDHHAIUSA-N 430.411 2.128 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCN(C3CC3)C(=O)C2)c1=S 748264170 OGPRTTJOXNTJOO-SFHVURJKSA-N 427.530 2.377 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2N)c1 750412188 ZVVQEYWOECLMBO-UHFFFAOYSA-N 429.498 2.393 30 10 IEEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(-c4ccncc4)cc3F)c2=O)cn1 751820193 QFNNTBIWLUYETF-UHFFFAOYSA-N 442.479 2.343 30 10 IEEE COc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc(OC)c1OC 759099775 PLMRXRLFHMOGEC-UHFFFAOYSA-N 435.477 2.234 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C)n1 764284110 XIOWSBQPEDOAQQ-MRXNPFEDSA-N 425.493 2.173 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)c1 783211709 KXSDBPFIUNNKQB-CVEARBPZSA-N 440.493 2.102 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(CCCn2ccnn2)C1=O 784125118 FRAQRQDEVKCAAY-OAHLLOKOSA-N 436.925 2.098 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@@H]2CCOC2)C1=O)NC1CC1 784127077 UIARLVXOHDQYDF-FZKQIMNGSA-N 431.514 2.442 30 10 IEEE C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)n1cnc(C#N)n1 798971656 XPTSSVYBYVJGMX-YOEHRIQHSA-N 427.509 2.159 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812387627 POJXFIHIIDDQAD-IXDOHACOSA-N 434.541 2.219 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccsc2)[C@@H]1n1cccn1 814711068 BWZJYOSRBWNNHI-IVSAIRAKSA-N 433.559 2.431 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cn(CCO)nc2C2CCOCC2)ccc1OC 856639074 XOUCUUPFIKOOOO-SFHVURJKSA-N 442.516 2.389 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c(=O)[nH]c21 914849852 CEXOCENDQINQAK-WAYWQWQTSA-N 447.499 2.405 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)c1 1084605055 BUFYFOHNYJNDEY-UHFFFAOYSA-N 444.521 2.349 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 1127421197 PWQGLBKLVDWDGQ-ROUUACIJSA-N 429.521 2.276 30 10 IEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@@H](C)COC 1130890053 JDCVYCXIHGNSJO-INIZCTEOSA-N 440.562 2.154 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc1 1136331856 OCEMMNWEYGTIOR-GIKSKMNSSA-N 437.566 2.301 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 1136529986 XGLZXFCFLBKDMA-UHFFFAOYSA-N 429.274 2.328 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1ccc(OC(F)(F)F)cc1 1137127092 MSPIMQUMGUMDQA-CQSZACIVSA-N 431.367 2.384 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1153614993 QPOYQNHIBJPQPV-VAWYXSNFSA-N 427.526 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](S(C)(=O)=O)CC3)C2)C1 1155508188 ZAXZLNZPKIPRGM-CXIVCQEWSA-N 439.578 2.199 30 10 IEEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)Cc1ccc(Br)cc1C#N)C2 1157638326 NJPUUIQBIVPUPV-UHFFFAOYSA-N 448.342 2.356 30 10 IEEE CCN1C[C@H](CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1165356915 LIFRVTPJPHXBSE-JXFKEZNVSA-N 426.517 2.377 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@@H]3COC)nnc12 1183693615 HGKOYSCQQINUAL-OAHLLOKOSA-N 427.530 2.350 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NCCS(=O)(=O)Cc1ccccc1 1208540256 HMNZGMMPKQEOJP-UHFFFAOYSA-N 443.344 2.214 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1248374566 CFKBHESGMDAPIY-SFTDATJTSA-N 440.544 2.324 30 10 IEEE C[C@H](OC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(C#N)cc1 1265620189 CJSXFEWBASDYEX-AVBTWRTFSA-N 434.514 2.444 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1286428737 VFOALNHFPVLSBP-HSZRJFAPSA-N 449.555 2.366 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1286485019 AMOOXWRKRXZWAU-WIYYLYMNSA-N 449.477 2.335 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286514176 AXOLRNPARDMVEM-IAGOWNOFSA-N 445.593 2.325 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1286518166 ZROTWIFZPYQWPV-KSFYIVLOSA-N 442.589 2.203 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1286606229 JYIWRNGJSBSPGJ-UHFFFAOYSA-N 444.536 2.046 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286789505 HLLIJZAUGZUQQW-MOPGFXCFSA-N 440.592 2.293 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286790845 YFLIDFLGEFNUEG-GOSISDBHSA-N 443.621 2.248 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1286957797 GPODQYBJOKIMBN-GOSISDBHSA-N 445.637 2.472 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1286971594 KCTKDDLEKAKDHZ-PXHXRNRRSA-N 448.568 2.185 30 10 IEEE CC(C)NC1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1288262672 NVXISIHNHOSLRV-XDOYNYLZSA-N 441.580 2.429 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 1288370290 JRPPRXWHDJNALP-HNNXBMFYSA-N 432.502 2.106 30 10 IEEE O=C1CCCCN(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1289424440 KDXJJSUTSKWZKJ-IUCAKERBSA-N 436.299 2.197 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1296286529 XRNBQQHLAIFTFO-RQWLHQTBSA-N 449.555 2.116 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)C1 1299032033 DDVYUQNZEBQFFT-AUSIDOKSSA-N 438.532 2.116 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1300370849 FQDILXVJTQTXJW-SFHVURJKSA-N 425.537 2.355 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1300430932 QTAVDJPDWDQNMX-DFQSSKMNSA-N 445.589 2.434 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495969 LYDGNSBGIKTDJR-QUCCMNQESA-N 444.557 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1300553335 DMBPKVQOXFRPHK-UHFFFAOYSA-N 441.333 2.183 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2sccc2C)CC1 1300726814 RJQCTQPQMLMTGW-GOSISDBHSA-N 427.574 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCSC[C@H]1C 1301577437 JFZZRHZHYQIUMT-CQSZACIVSA-N 436.559 2.216 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1302775919 CDXORLIPNROYDC-LDSGZGKSSA-N 428.537 2.323 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC2CCOCC2)CCO1 1303003066 BRBYVYDGBGLIOX-QGZVFWFLSA-N 447.486 2.462 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2cc(Br)cnc2C=O)c1 1309931179 HCSWRGCHRRPERT-UHFFFAOYSA-N 425.260 2.340 30 10 IEEE COC[C@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C1CCOCC1 1313001196 ZSTIEVGJLBNUJT-FQEVSTJZSA-N 444.511 2.139 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)n1 1315670967 ZBNNHGOBQPADSR-UHFFFAOYSA-N 448.531 2.103 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1315878023 FIPFEKQESHJYBV-KRWDZBQOSA-N 438.488 2.384 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccccn2)CC1 1359040284 OEGJADYSVLIQOO-FPOVZHCZSA-N 438.576 2.130 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359054500 XQSKWQFSWLLSNG-HNNXBMFYSA-N 444.586 2.484 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(S(C)(=O)=O)cc1 1359238297 GHKSXFHUPSFCOL-UHFFFAOYSA-N 429.502 2.080 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 1445091985 PAQNJQGCXVVYPC-INIZCTEOSA-N 438.387 2.116 30 10 IEEE CCOP(=O)(CN(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)OCC 1452333166 HSEDBKNZCWMWDS-ZDUSSCGKSA-N 431.451 2.186 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(OC)CCCC3)nnc12 1457864950 WQAXHYVRPCBCLJ-UHFFFAOYSA-N 427.530 2.398 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](CO)c1ccccc1I 1460911887 DZFGDSRVQYSKLK-MJEQTWJJSA-N 429.302 2.357 30 10 IEEE CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1467710870 GBDLYVIIQLLSLI-RDPSFJRHSA-N 442.560 2.308 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 1469872487 QCJUKAUHEMQYKQ-MRXNPFEDSA-N 430.258 2.457 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3ncc(Br)n3C2)c1 1472340487 REAWUQYBHDDFPI-AWEZNQCLSA-N 436.331 2.187 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)cc1 1473619453 CZQPAPCTQXTCHM-NRFANRHFSA-N 444.557 2.193 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(Cl)cc1 1478897664 YZHWCKGCCZPDBF-UINJJDOFSA-N 438.933 2.213 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493244664 LXECQHFEEKDZMX-QFQWUVHXSA-N 428.537 2.181 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1493795425 AIRRFLNOIKVVST-GOSISDBHSA-N 444.605 2.420 30 10 IEEE CCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499009200 IKLYJXJVRKWGDN-QURGRASLSA-N 436.516 2.247 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1500927761 DHAHPHSISYRTAX-AZUAARDMSA-N 442.589 2.172 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1 1503713458 DGUHSFXBJXNZLX-OAHLLOKOSA-N 428.562 2.443 30 10 IEEE CS(=O)(=O)CC1(Cn2c(Cc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1505126777 HPFFIZOFYIKKRM-HXUWFJFHSA-N 435.500 2.275 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCC(F)F)CCO1 1505322400 NCRIZGFVMXFDRV-YOEHRIQHSA-N 435.431 2.191 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN(C)[C@@H](C)CC)c1 1507549300 FXSURIIZIFLJBX-SFHVURJKSA-N 448.575 2.465 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507594794 JYGMXSUXMUAHKA-UHFFFAOYSA-N 444.967 2.134 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634837 QBWVNAHRQPXZPF-NFBKMPQASA-N 444.601 2.211 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1coc(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 1507635565 XGJNRAJQFWPLJC-HNNXBMFYSA-N 431.543 2.232 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(OC)c1 1507653898 SOBKUYFJZBUIKW-GOSISDBHSA-N 440.569 2.239 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCO[C@H]1C 1507713661 SCRFXRKHRMTULL-WMZHIEFXSA-N 428.533 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCOc2ncccc2F)CC1 1507739997 WMVBJQJIOVCBGZ-UHFFFAOYSA-N 426.496 2.125 30 10 IEEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1507920825 ZEQZBVOWWGWVNG-LJQANCHMSA-N 443.548 2.419 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1507954623 OXBSYNVROQLJSM-AZUAARDMSA-N 446.573 2.431 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1508039131 YKGVDIKQNPTJOG-SFHVURJKSA-N 429.546 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1508131499 NIJTZUAWZPHJRH-CWLKWCNXSA-N 435.594 2.032 30 10 IEEE CC(C)(C)OCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508689061 LCUKLFGBBFRVDT-SFHVURJKSA-N 425.537 2.190 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1514410979 BXLGRBBOSCOHIA-UHFFFAOYSA-N 446.577 2.391 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4cnccn4)nnc3N(C)[C@H](C)CC#N)cn2)CC1 1515896715 GBQOSIKYJDZTPM-GOSISDBHSA-N 446.563 2.059 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CCC#N)CC2CC2)C1 1517416674 ZXBVVZLHMJZJTC-NRFANRHFSA-N 425.493 2.050 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)C[C@@H]1C 1517703030 WNRIDQCTZLTSPJ-OXJNMPFZSA-N 437.548 2.434 30 10 IEEE C#CC[C@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1517930040 PFDCOKDDROQSQO-GAJHUEQPSA-N 438.532 2.178 30 10 IEEE COC[C@H]1CCCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1518847047 SDMIMZOOVJBQSL-UNEBPCJRSA-N 428.537 2.010 30 10 IEEE C=C(C)C[C@@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)OC 1535346000 CUAWAIVVLGELQR-CYBMUJFWSA-N 425.279 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1cccnc1N1CCOCC1 1539023624 PCYSAFFSKJJBCU-MRXNPFEDSA-N 437.573 2.372 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCOC1 1539102691 ZAAALMWOVMSPSX-KRWDZBQOSA-N 431.562 2.082 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCC 1539170851 CDUJJPYWERDFBX-UHFFFAOYSA-N 443.511 2.494 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539222567 WPUPADZUQCJBGB-SIKLNZKXSA-N 428.558 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)N2CCCCC2)CC1 1539481839 OPXMKAZUVQNXFS-UHFFFAOYSA-N 442.608 2.235 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539504787 AGLSEUOYYIYLRB-GOSISDBHSA-N 426.590 2.396 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539557576 XKICUBXKTNGUIQ-IIBYNOLFSA-N 431.537 2.068 30 10 IEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1539982205 RKTTYNJJOHJBQD-GOSISDBHSA-N 443.548 2.458 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1540125836 ASTXVDAWWXADLP-LJQANCHMSA-N 433.578 2.256 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1540152154 QIYIOBZPJOOEQD-IFMALSPDSA-N 439.608 2.493 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1540162528 XWWDAGTYYNYLEH-OALUTQOASA-N 439.543 2.203 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1 1540191103 CJDOXMBRDKDJLM-UHFFFAOYSA-N 434.342 2.467 30 10 IEEE C=C(C)C[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(=O)OC 1544352407 UYRBMUWAJVMJOO-HNNXBMFYSA-N 436.306 2.144 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367741 KSMYNLXBTVQAMI-KRWDZBQOSA-N 447.417 2.058 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1552870498 GTSGKEMEOJPFKS-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE COCCCN(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1555486983 URDKNFPNDMYNGO-IBGZPJMESA-N 437.548 2.047 30 10 IEEE COCCn1cc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@@](F)(C#N)C2)cn1 1555568608 AACOFQXRYWWGCR-OAQYLSRUSA-N 425.468 2.287 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)C1 1558330129 YOSCMCNDIMWBSY-PKOBYXMFSA-N 427.574 2.458 30 10 IEEE C#CC[C@H]1CCCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1563911286 ZOWJIIQVQZVTLQ-QHCPKHFHSA-N 440.588 2.217 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 1564819205 FHYOVCKLKAFNAA-CRAIPNDOSA-N 430.480 2.366 30 10 IEEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 1564997846 POIFUBCIUHXMFB-NRFANRHFSA-N 427.526 2.476 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 1568680574 UQNTVSAMODEQFA-INIZCTEOSA-N 446.953 2.105 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1587861640 OYPRHTJJASVVOL-RTWAWAEBSA-N 442.585 2.432 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1587883478 BUWTVWVYDKBKOM-OAQYLSRUSA-N 431.500 2.454 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H](C)C1 1587931964 GWGPSKINLMVKDG-SJORKVTESA-N 431.562 2.080 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nncn1CC 1595303420 SPVWVLXOWQRYAU-SFHVURJKSA-N 425.493 2.089 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCc2ccccc21 1595603100 XTEJYIYLBGPRJN-DSKINZAPSA-N 425.533 2.428 30 10 IEEE CC(C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1598580937 GRWKTGATVSSUFK-VZCXRCSSSA-N 438.536 2.041 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2Cc3cccc(C#N)c3C2)o1 1611561769 BLOKTIMYUCWMJX-KRWDZBQOSA-N 443.481 2.023 30 10 IEEE CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1612835299 DWGHHHIZOHALID-GOSISDBHSA-N 428.562 2.335 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)[C@@H](C)CC 1616922818 NXOJMDZORMCNDQ-HTAPYJJXSA-N 427.553 2.205 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)s1 1617267636 GJLRTYOVWFZRCD-CYBMUJFWSA-N 445.574 2.284 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1CSC 1617384025 AOUVWFLCXAXSOT-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1618904994 HWCSDGXPROUXOK-UHFFFAOYSA-N 447.499 2.255 30 10 IEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)(C)C 1618978071 DGHUVHMODRIVBM-RTBURBONSA-N 437.548 2.434 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC1CCCCC1 1620099520 FOXFSGAKHSPRQH-BPXKWBHBSA-N 448.543 2.283 30 10 IEEE O=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(C#CCO)c1 1623711653 QOANCHDHJYMKAJ-UHFFFAOYSA-N 427.309 2.046 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCc4sccc4C3=O)CC2)cc1 1624067056 BGCAUTANSOUEIJ-MRXNPFEDSA-N 443.550 2.288 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1631155983 GDEUTFUEAHOPTK-UHFFFAOYSA-N 448.365 2.214 30 10 IEEE CCN(C(C)=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1632687203 DGPBTTIDNNTFTB-SFHVURJKSA-N 434.456 2.170 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cs1)C(N)=O 1635421492 PSWZQYZLWXLNQW-GXTWGEPZSA-N 430.559 2.021 30 10 IEEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1636660657 LKIRXWGSROKNAO-UHFFFAOYSA-N 438.855 2.014 30 10 IEEE CCOC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCCOC1 1638315962 OPKLUFXQGPHQDT-SJNOSMOASA-N 449.548 2.248 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(NC2CCC2)CC1 1646535410 QROWXZGFXWQLGH-UHFFFAOYSA-N 432.590 2.419 30 10 IEEE COC(=O)c1cc2c(cc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)OCCCO2 1648817261 AJDOCVBWNCAWJD-UHFFFAOYSA-N 444.465 2.060 30 10 IEEE C=CC[C@@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1650698661 PRHVEDGBOATXNO-BTYIYWSLSA-N 426.510 2.143 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN1CC(O)(c2ccc(Br)cc2)C1 1655178639 QVVHLWWTBNEGPP-UHFFFAOYSA-N 425.282 2.252 30 10 IEEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc1-c1ccco1 1656183882 YQORLCWJXDAJAV-UHFFFAOYSA-N 431.440 2.295 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 1660700747 DKYGNGGHTWIRKY-UHFFFAOYSA-N 427.523 2.312 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1666209371 OWKBWRHFOOXAEM-GFMRDNFCSA-N 433.578 2.356 30 10 IEEE CC(C)(CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1COCC12OCCO2 1670577133 DBGMTSOUCCGFKJ-CTWPCTMYSA-N 444.532 2.358 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@@H]1OC 1689833334 ICBGMXYRCGPRCW-YRNRMSPPSA-N 444.532 2.480 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1690063841 QQWAJGJOKBAWPK-UHFFFAOYSA-N 429.546 2.002 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1690124017 CKZYPRHEJCJZSQ-QHCPKHFHSA-N 436.604 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690244454 XNLDTNKHBOHNEH-HQEOYTPBSA-N 444.507 2.426 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1690309674 HCQNYDGTTVQOQU-LJQANCHMSA-N 428.512 2.288 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1690593207 WXUHNGJHZGLJRV-UHFFFAOYSA-N 433.534 2.009 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690681756 ZQBJADNYPIBHMA-ZWKOTPCHSA-N 441.488 2.144 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCN(C)C2)C1 1690692154 SJMDXUMYMHLEOG-JTSKRJEESA-N 447.967 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)N(C)C)C1 1690696900 KSUWHFXKXGNZQC-HXUWFJFHSA-N 435.532 2.390 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695053119 VIKKHVUSDXLZMC-IVZQSRNASA-N 426.521 2.258 30 10 IEEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1698184114 UGWTZBBOHWWVAP-CVDCTZTESA-N 438.532 2.433 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1705517171 QAADCLXHNKDZRX-ROUUACIJSA-N 437.610 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1705586145 WFYKOYZHVDEIRC-FQEVSTJZSA-N 426.542 2.206 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705665731 CAJUKDSKWRZKPZ-QZTJIDSGSA-N 444.513 2.346 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705667481 MLDLIYLALWDSFR-HXUWFJFHSA-N 439.585 2.387 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705735950 HFCARCAGUKNMEQ-UHFFFAOYSA-N 439.545 2.352 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705818569 OCVAAGBNTQFRHM-HNNXBMFYSA-N 444.561 2.028 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC(=O)N2)C1 1705920786 FCYDOPNWQOOYPF-QZTJIDSGSA-N 441.532 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1705935556 VNHUQRJKTKFISA-FQEVSTJZSA-N 447.580 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705938676 GZCNBTZESFMGHM-DBXWQHBBSA-N 440.610 2.402 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN2CCCC2)CCOC1 1706678789 GTKCNOHEVNLYFM-XXBNENTESA-N 446.596 2.169 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCOCc1ccccc1 1706869740 RPOQDXJEUWOEIY-QGZVFWFLSA-N 446.577 2.235 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCn1ccnc1C 1708531214 ABEATZVWNTZXID-IRXDYDNUSA-N 434.552 2.374 30 10 IEEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1709383110 GOVCZTIVKLDEOB-MIGHCRNESA-N 444.561 2.304 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1712275475 OPPMPIXLBWBNBI-IEBWSBKVSA-N 438.532 2.116 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2noc(CC)n2)c1 1722308972 IGMXQDCBSFKSEV-QGZVFWFLSA-N 449.515 2.026 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1722323000 ALRPPUIUKFYWPO-SJLPKXTDSA-N 431.562 2.304 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccn(Cc2ccccc2)n1 1722373318 HHCFRDNUSXRGKU-VWLOTQADSA-N 444.539 2.296 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CCCO)CC1 1722502455 IQNNUBBIPPASCO-KNQAVFIVSA-N 431.581 2.371 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722564483 QTYLERNYEMSKOK-OFNKIYASSA-N 433.597 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ncc(Cl)n1C 1722695632 KLLCIMJICNKZEJ-UHFFFAOYSA-N 435.319 2.319 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 1722703014 USUTYXHVLAYPJC-SFHVURJKSA-N 438.532 2.320 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccccc2F)C1 1722711081 AANHWZFKIZDEGH-INIZCTEOSA-N 437.479 2.086 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CC#N 1722726644 DNASJWFEYDYLOQ-KRWDZBQOSA-N 439.545 2.470 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1722741243 FMMXEZKURTYCSN-UHFFFAOYSA-N 439.582 2.009 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCO1 1722750691 MYVNKFUKGOJLBF-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)cc1C 1724387986 BOOVEYLPAVLDIA-UHFFFAOYSA-N 439.564 2.465 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1724473870 OKJYXEDIYFUYMZ-UDJKBAMHSA-N 439.545 2.117 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1730670605 HKWFYVLKFWKQLS-SFHVURJKSA-N 440.504 2.186 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nnc2n1CCCCC2 1730854781 WTNIFUGBYHJQLA-HTAPYJJXSA-N 442.568 2.498 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 1740599844 FGGPUXDTPVBJAI-IBGZPJMESA-N 439.438 2.384 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1740609244 HWANFJTVPRKYDA-UXHICEINSA-N 443.573 2.040 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCCO1 1740677522 MHGONXHXUZXEGL-KKSFZXQISA-N 449.552 2.236 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2snnc2C)CC1 1740697098 RHZUEUXJUGXAJV-UHFFFAOYSA-N 429.500 2.111 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(CC)s2)CC1 1740706059 QUFRAHKBVWJZPS-KRWDZBQOSA-N 427.574 2.420 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1740855734 WWBZQPKPFCKWAE-FQEVSTJZSA-N 447.543 2.390 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740876304 QHRDGVPAXPADME-QGZVFWFLSA-N 439.582 2.061 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCS(=O)(=O)CC 1740946942 LTEDXEUARSVUMH-UHFFFAOYSA-N 441.598 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cscn1 1740988944 USNVNOBDBCMKLZ-UHFFFAOYSA-N 447.542 2.368 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1741088317 HEOAGRWJHCFXPE-UHFFFAOYSA-N 445.483 2.347 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1741134044 WTLCQOQATGCWPQ-BEFAXECRSA-N 436.472 2.296 30 10 IEEE CCCN(CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745610435 DVLNLOTVQBCELQ-UHFFFAOYSA-N 448.579 2.004 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1748805152 PALKHPJFXFBAEH-HOTGVXAUSA-N 431.562 2.333 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1748809677 VHTJGKPUCGTFKX-QGZVFWFLSA-N 441.469 2.121 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N(C)C1CCCCC1 1748875708 VKTVBVPOZGCAMN-UHFFFAOYSA-N 440.592 2.451 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccccc1F 1748948009 DDAVMPRRONKESO-QGZVFWFLSA-N 429.496 2.207 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@@H](C)C1 1748957110 UYPQLCHSBXROTI-FQEVSTJZSA-N 436.560 2.404 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749026914 JLOUKYBQIJTZDL-UHFFFAOYSA-N 444.605 2.203 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1749068440 IXBOHHABRKARTL-HXUWFJFHSA-N 435.981 2.454 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749211191 VQRDRSSWJHCFSI-UHFFFAOYSA-N 448.568 2.164 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749467879 KWNGPJUZNLXUDR-VRTBNJGNSA-N 430.553 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749721911 WJNLWMMRUJGUIK-UHFFFAOYSA-N 446.552 2.340 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1CC 1749738629 SFVPQYYNTSPKDW-HNNXBMFYSA-N 437.591 2.249 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1750075239 BXIHIVANUMCMFM-OWCLPIDISA-N 430.475 2.031 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCOCC1 1750736210 RVPCQFBITPIVOJ-UHFFFAOYSA-N 439.564 2.122 30 10 IEEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760165140 KGSMKMYXDAVTCZ-QZQOTICOSA-N 430.512 2.344 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNC(=O)c1cc[nH]n1 1760196255 GWBXUHRSMSMBOD-MRXNPFEDSA-N 447.568 2.357 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(C)(=O)=O 1760244904 LABZITTUNWKOGK-HNNXBMFYSA-N 436.603 2.262 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1760263468 CBPUMPQOGQBXBG-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C/C=C\CC)CC1 1760271549 BOHUJOPYQBOBOG-ALCCZGGFSA-N 431.544 2.449 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C#N)C1 1760285507 ILVSYOMLUNBGAS-KRWDZBQOSA-N 427.530 2.351 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760332749 AQAHDEVQSZIWCP-QFBILLFUSA-N 448.593 2.163 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760360832 BJQHEAUREOVAKA-KRWDZBQOSA-N 443.504 2.099 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760404116 SWNPIKJEIBVALZ-KRWDZBQOSA-N 444.561 2.295 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760446574 WBPVBZKRBCANHE-NRFANRHFSA-N 426.477 2.305 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1761247139 DOYMETTWSAAHSC-AWEZNQCLSA-N 447.337 2.351 30 10 IEEE CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cn1 1764938060 CINFLZOPYPMOQS-WMZOPIPTSA-N 445.593 2.066 30 10 IEEE CCn1cnnc1Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1765362115 QYWZJULGDJQFLT-HRCADAONSA-N 443.556 2.304 30 10 IEEE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CC1CC1 1766872018 KFQOPIVQBBTESH-UHFFFAOYSA-N 434.342 2.264 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@@](C)=O)CC2)cc1 1768577779 ICOFZYNOBITXMB-WENCNXQZSA-N 431.537 2.425 30 10 IEEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)c(OC)c1OC 1768641755 CUWGSCYNMIFMNR-HNNXBMFYSA-N 442.520 2.184 30 10 IEEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1770149621 YVXBBTFURXZREF-LEWJYISDSA-N 441.532 2.285 30 10 IEEE COCCCOc1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)c1 1771061267 AVKXGFOIWGVUNA-FQEVSTJZSA-N 436.516 2.476 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1771320589 UOHNIKPNZIUKEB-UHFFFAOYSA-N 426.521 2.371 30 10 IEEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)NCc2cc(C#N)c(F)cc2F)CC1 1850118377 OXMVMPHWXDUOCG-UHFFFAOYSA-N 426.423 2.071 30 10 IEEE N#Cc1ccc(C(=O)O[C@@H](COc2ccccc2)CN2CCN(c3ncccn3)CC2)cn1 1851555777 WJWMJGCKHYYYFC-JOCHJYFZSA-N 444.495 2.170 30 10 IEEE COC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852987740 REGNILYSZAIOCB-OAHLLOKOSA-N 435.406 2.130 30 10 IEEE N#Cc1ccc(NC(=O)NCCN2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1 1853134846 CTYBUFBUUTXWRR-UHFFFAOYSA-N 428.500 2.354 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 1853547266 DHPANOREEXHKPJ-SFHVURJKSA-N 440.548 2.446 30 10 IEEE C=C1CCCN([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C2=O)CC1 1855162441 LEJNEMMEHOQTEN-HXUWFJFHSA-N 434.558 2.419 30 10 IEEE N#Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCCS3)C2)CC1 1857249571 SXGVMWPPCQUBSW-IEBWSBKVSA-N 428.558 2.315 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)cc2)C1 1860635082 RIVWCQLSEFGPNV-VUVZNRFTSA-N 444.528 2.318 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)c1 1860838793 ZTBMQEWNWLBDOJ-UHFFFAOYSA-N 448.439 2.290 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862574535 LQDZYFSGTXJUBK-YUNKPMOVSA-N 443.452 2.377 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(CCC)nn2C 1865223870 HAUUTCPQNAKOLS-GOSISDBHSA-N 426.517 2.083 30 10 IEEE CCCCCCCCC(=O)Nc1nc(N2CCN(C)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869960586 YZXBSCYUZAGNSP-QGZVFWFLSA-N 440.614 2.079 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871531625 HGFABIQHOOZTES-UHFFFAOYSA-N 444.543 2.342 30 10 IEEE Cc1sc([C@H](C#N)C(=O)CN(CCO)CCO)nc1-c1ccc(Br)cc1 1872799629 JJZGBVRYLQUVDB-OAHLLOKOSA-N 438.347 2.344 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1891355236 BBTXMINFGKMRRR-UHFFFAOYSA-N 428.514 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCN=C2CN(C(=O)OC(C)(C)C)CCN2)CC1 1977607259 GOXIMEJZGNYDOE-UHFFFAOYSA-N 425.574 2.168 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010405521 ZHJTVLBTUBRMPQ-BARDWOONSA-N 426.319 2.008 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(O)C1 2073246436 SKBVTMNMTUUONM-UHFFFAOYSA-N 432.326 2.343 30 10 IEEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)C1CCS(=O)(=O)CC1 2172786416 RKHPCUPLHDBQJA-UHFFFAOYSA-N 445.188 2.157 30 10 IEEE CO[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@H]1OC 2199571542 UKWDLGXDVAMNNB-LSDHHAIUSA-N 427.148 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H](O)[C@H](N)C#Cc1ccccc1Br 2227477436 QOIGMIYMPPDMGW-BRWVUGGUSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)C1 2232319021 RQJPGUJDXIXSMA-JOCHJYFZSA-N 447.341 2.015 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 2237392109 UOXJVFGGAPPKTK-GJZGRUSLSA-N 439.306 2.478 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248395102 HCZJIGLCTZIGAS-CQSZACIVSA-N 440.371 2.203 30 10 IEEE Cc1ccnc(C(=O)NCCCONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255637082 DDBSVPLVRABRAR-UHFFFAOYSA-N 435.330 2.265 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255673378 POASHZRUKUXQHW-UHFFFAOYSA-N 441.284 2.271 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)n1 2255821267 CCQAZHYGIQTZBT-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE Cc1nc(NC(=O)C2(N(C)C(=O)OC(C)(C)C)CC2)ncc1B1OC(C)(C)C(C)(C)O1 2256617188 HVVYOGCDDUGBNE-UHFFFAOYSA-N 432.330 2.422 30 10 IEEE C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256623403 DQQKTCANILEFIF-WMLDXEAASA-N 434.342 2.049 30 10 IEEE C=C[C@@]1(CO)COCCN1C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256686769 ZXHCRGVJUJNFML-XMMPIXPASA-N 446.544 2.216 30 10 IEEE Cc1nn(C)c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267139549 IACCRHQXIFXKGH-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267176080 VCQXOJKQGXAVBA-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267517915 AJERERYMTLWSDI-CQSZACIVSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@H](O)[C@@H](N)C#Cc2cccc(Br)c2)C1 2296228994 FPFNMKBOUJHCSN-NJAFHUGGSA-N 439.350 2.372 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2312861591 QPSNSVDENYPBQV-FRFSOERESA-N 431.342 2.062 30 10 IEEE CCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)C(=O)OC(C)(C)C 2315627211 KUUHZJLRPRQKBO-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc2c(c1)OCCO2 2320988813 TVFFCOINRMQRMI-UHFFFAOYSA-N 427.486 2.495 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2326798357 FHSOLKWNKLDWRL-HNNXBMFYSA-N 442.268 2.088 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2327902052 IMUIUDIFCHKKSR-AWEZNQCLSA-N 432.506 2.267 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334469970 NLJCPZNDRJPVLG-QGPMSJSTSA-N 443.353 2.427 30 10 IEEE NN[C@H](C#CC1[C@H]2COC[C@H]12)c1ccc(I)c(Br)c1 2341622220 CIYNAGLEXBMWMR-JTNHKYCSSA-N 433.087 2.454 30 10 IEEE CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C#N)CC2)c1 8934064 USMHBLPJNPOLEI-UHFFFAOYSA-N 447.538 2.001 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)nnc1C(C)(C)C 20839456 JJIYIBSCWHWION-UHFFFAOYSA-N 433.582 2.144 30 10 IEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1-c1ccccc1 24859713 OLQYAGFFSIZNAP-UHFFFAOYSA-N 435.509 2.199 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)CC1 27559764 OFWUGUQCAQQPQN-QHCPKHFHSA-N 426.586 2.182 30 10 IEEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(Cl)ccc3C#N)CC2)cc1 56966403 JYDHUMQGEOXVRZ-UHFFFAOYSA-N 441.919 2.097 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 301326291 BANFUNYRZZBLMK-UHFFFAOYSA-N 438.431 2.187 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 426844566 CYNIHGGDJBJCSZ-HNNXBMFYSA-N 439.379 2.225 30 10 IEEE CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC 427774315 QBIWEXFCIPTPEJ-UHFFFAOYSA-N 445.545 2.143 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1C#N 427787961 IEKKBAKYCZDLBO-IBGZPJMESA-N 427.530 2.229 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 460793486 LPRFEKMBXHCAOA-QGZVFWFLSA-N 433.520 2.397 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1-c1ccccc1C 461367347 BXRJYGYUVOIUPN-UHFFFAOYSA-N 447.560 2.383 30 10 IEEE COc1cc(C=c2sc(=CC(=O)C3CC3)n(Cc3ccccc3C#N)c2=O)cc(OC)c1 502465603 FDYNQAUKOCRWLS-UHFFFAOYSA-N 446.528 2.435 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C3CC3)c2=O)c1 538497633 FWNFYXOWGHCSJN-UHFFFAOYSA-N 435.480 2.482 30 10 IEEE Cc1ccc(CN2CCCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)cc1 544877012 HMGKSKKNJXVTFE-UHFFFAOYSA-N 432.572 2.118 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1 551486216 GOGFFPOOCDZVJN-ZWKOTPCHSA-N 441.534 2.359 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCO1 559184586 DWUNKEMYCQYXBD-AEFFLSMTSA-N 446.577 2.360 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)nc1 561783169 DYCLSYAOPSNLIL-ZDUSSCGKSA-N 429.424 2.442 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CC1 582277138 AYDLABUFZCKNTM-UHFFFAOYSA-N 440.935 2.475 30 10 IEEE CN1CCO[C@@H]([C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 586863838 BONATPVYZWJRTQ-UXHICEINSA-N 444.894 2.155 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 604001447 FPOZKPMVXHHPIO-UHFFFAOYSA-N 434.546 2.107 30 10 IEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670211073 UWXCUCKUEIAPAL-XLIONFOSSA-N 428.606 2.495 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3c(C)cccc3C)c2=O)cn1 735069343 SYDNUGFVVHAMNL-UHFFFAOYSA-N 449.580 2.150 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccon2)C1=O 747449520 WNRQAWUQRNBKFF-KRWDZBQOSA-N 433.509 2.403 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCc3ccc(F)c(F)c3)CC2)o1 756669762 YQLCKFBXFRMWQE-UHFFFAOYSA-N 432.427 2.348 30 10 IEEE Cc1nc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(-c2ccccc2)o1 759823666 GZETXASBQCNDDH-UHFFFAOYSA-N 435.440 2.324 30 10 IEEE NC(=NOCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(N2CCC(O)CC2)cc1 774826045 KCMFTRQLUVKURJ-OAHLLOKOSA-N 428.455 2.086 30 10 IEEE COCCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781655061 ZLYDXFGLMPNKNP-UHFFFAOYSA-N 443.569 2.085 30 10 IEEE Cn1cc(C=Nn2c(-c3cccc(S(C)(=O)=O)c3)csc2=NC[C@@H]2CCCO2)cn1 789967905 IVZGTXXVPYLUJZ-KRWDZBQOSA-N 445.570 2.316 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C)c1cc[nH]n1 789988018 YRGTVMLFEARMSL-QFBILLFUSA-N 428.489 2.299 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 790841681 YBDLWMIGTLBEOH-UHFFFAOYSA-N 429.517 2.446 30 10 IEEE CCC(=O)N[C@H](CCSC)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790867607 GHJSBGNQMZWZAN-GFCCVEGCSA-N 437.465 2.030 30 10 IEEE C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 795329427 OWXONCNNTQCHKT-PKOBYXMFSA-N 443.569 2.497 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 804459524 ONPLPQSSRICIBX-VQTJNVASSA-N 429.542 2.443 30 10 IEEE C[C@@H]1CN(Cc2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 805843102 CDQWIQLHDRFYMS-IAGOWNOFSA-N 427.526 2.427 30 10 IEEE C[C@H](F)CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 814708250 FCIQKIYFXQZVQS-SWLSCSKDSA-N 444.492 2.284 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2=O 888803923 ORXXFNKCGBGFCS-LGABGLQWSA-N 446.548 2.350 30 10 IEEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 917851110 BWSSYFQOGWHVFR-UHFFFAOYSA-N 448.932 2.307 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 920245777 UBRIKVSZKHJLHI-FLFQWRMESA-N 438.509 2.453 30 10 IEEE CO[C@@](C)(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)OC(C)(C)C 1125202057 BDUJZCXSYPNOGQ-RAGBYUADSA-N 439.534 2.185 30 10 IEEE Cc1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1S(C)(=O)=O 1129896757 GAAWHOHFEIPHJY-KRWDZBQOSA-N 440.481 2.114 30 10 IEEE C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1130841710 BDKXKCGFJQVAPJ-AUUYWEPGSA-N 431.452 2.133 30 10 IEEE C=CCn1ncc2ccc(NC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)cc21 1134354287 UZYDZYZHMRGJEV-UHFFFAOYSA-N 442.277 2.067 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](O)C(F)(F)C2)cc1[N+](=O)[O-] 1146516900 JOXWRUVGZHKXPC-MRXNPFEDSA-N 435.387 2.223 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2c(C#N)cn(CC)c2C(=O)OCC)n1 1219176757 NNVMZDSPKGZOPN-UHFFFAOYSA-N 426.477 2.067 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)C1 1225936117 DBHBZRIPERBUOG-LRDDRELGSA-N 445.451 2.367 30 10 IEEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 1226636787 LCDTWTKWTUSFNQ-QWHCGFSZSA-N 445.335 2.314 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1c2ccccc2C[C@H]1C 1227630394 AXPFFSYHZFWSRD-WWMYMODYSA-N 445.523 2.325 30 10 IEEE N#CCCC[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 1229130757 DPCPSFRNCAYOQM-WOJBJXKFSA-N 434.562 2.258 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)C(C)C)c1 1286308779 CSYQMYKDCOFPKL-QHCPKHFHSA-N 435.532 2.142 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388397 OODAUIIZICPFKY-UWJYYQICSA-N 432.546 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[S@](=O)CC 1286413384 JDKNLFNKHRAJAR-FZEVHQGJSA-N 447.605 2.234 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)nc2ccccc12 1286468807 KFAOQALMIWQGSJ-UHFFFAOYSA-N 448.527 2.092 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCCCCC2)CC1 1286483218 CNKBMPYZIUMSKN-UHFFFAOYSA-N 440.617 2.478 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2cccc(C)c2)CC1 1286490049 GMIDTADDHRAAMK-RXVVDRJESA-N 448.571 2.307 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286606993 AFGQXGXLEDYEMU-IFMALSPDSA-N 446.640 2.448 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286676112 WHXRNKONSIEYRX-HSZRJFAPSA-N 441.580 2.488 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C 1286742762 PLECPNPARYCUCP-UHFFFAOYSA-N 444.499 2.078 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1286950961 OQCIHQHMTRYYLD-LBPRGKRZSA-N 439.339 2.024 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NC(C)(C)C 1287432448 NHXXMFJMCARIDG-UHFFFAOYSA-N 425.537 2.316 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)C1 1288974966 JUXDMLJTZHTNBS-OAQYLSRUSA-N 443.939 2.372 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1C 1289830401 ZWYNTSILDCVYDS-MOPGFXCFSA-N 438.532 2.117 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1291654062 GGLGEVKKYGFANM-SCTDSRPQSA-N 425.537 2.189 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1291782854 HQUKXGMOHSWGND-QZTJIDSGSA-N 439.564 2.126 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1295173344 ASWXCHMQHIKMCN-FQEVSTJZSA-N 440.573 2.092 30 10 IEEE COC(=O)c1cc(I)cc(NC(=O)CNc2ccc(C#N)cn2)c1 1295855417 CXYDXMHZCVHRMB-UHFFFAOYSA-N 436.209 2.395 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCCO)c1 1299946228 YAJFSMDQBPNKQB-QFIPXVFZSA-N 429.521 2.491 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300368639 ZWJZZTJDHGOTHC-FQEVSTJZSA-N 442.589 2.072 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1300536255 TYGNIPQESJMGGS-NRFANRHFSA-N 429.528 2.491 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1300630942 JYMVBUSPVCDKQV-LJQANCHMSA-N 442.585 2.388 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC[C@@H]1COCCO1 1300641708 IYWIEDJYNASCQX-LJQANCHMSA-N 429.496 2.001 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NC(C)C 1300643850 VGGLDIGXUOGTBA-QHCPKHFHSA-N 443.523 2.234 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCCO[C@H](C)C2)CC1 1300692486 HBWMSROICIHFSA-HXUWFJFHSA-N 440.567 2.340 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300875254 MRRLIIRTNIEUGO-AQNXPRMDSA-N 441.557 2.421 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)CCNC(=O)OC(C)(C)C)s1 1300887823 BEPCLIFSHIOOOC-UHFFFAOYSA-N 431.580 2.128 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1300890540 HFBKKPUVPXSKCZ-KNQAVFIVSA-N 441.580 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)C1CCC(NC(C)=O)CC1 1301568812 KJTGSJIWBYTVEI-ZLPCBKJTSA-N 425.599 2.276 30 10 IEEE COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)CCc1c(C)nc(O)c(C#N)c1C 1304136020 PETFMZNAPWCGFM-HSZRJFAPSA-N 435.484 2.306 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1 1314860779 QLYFPTQOINPOHD-OAQYLSRUSA-N 447.561 2.169 30 10 IEEE Cn1nccc1[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1314933025 UORMBADTFBEWIJ-HXUWFJFHSA-N 435.532 2.333 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCOCC1 1316176182 PZCSMMNMFIUELZ-GOSISDBHSA-N 434.585 2.243 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)c1 1316531209 MXSMLFXIRPVMKU-GOSISDBHSA-N 427.459 2.275 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358957961 DRGQITSSMNPYSK-SFHVURJKSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1358962230 MLYWVIDNPBRUDK-MOPGFXCFSA-N 444.605 2.006 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1358969743 VRTBQQYIQCPVGE-DLBZAZTESA-N 430.505 2.065 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CCCCC1 1358990821 CMYWFZYQKJAJEB-UHFFFAOYSA-N 435.576 2.177 30 10 IEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCS(C)(=O)=O 1359121834 KQJZTDKGMOMDHJ-UHFFFAOYSA-N 441.598 2.450 30 10 IEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N(CCS(C)(=O)=O)C1CC1)c1ccccc1 1359138767 CWMPIQYBBBIUAN-UHFFFAOYSA-N 426.546 2.405 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC1CCCCC1 1359233546 JFQKRTDFHNIRBY-UHFFFAOYSA-N 431.562 2.420 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359574481 ZHYXGNAREPAOPB-UHFFFAOYSA-N 439.520 2.290 30 10 IEEE CC(C)=CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359612194 IYACWSIIHGSHPY-GOSISDBHSA-N 449.563 2.134 30 10 IEEE N#Cc1cccc2c1CN(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)C2 1437272324 XZCAGCRWIHODFH-KRWDZBQOSA-N 440.481 2.410 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNc2nccc(C(F)(F)F)n2)c1 1444338927 CGJZFUYMCDLMHC-UHFFFAOYSA-N 426.420 2.134 30 10 IEEE N#C[C@@]1(NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCc2ccccc2C1 1459131981 JYYFQRVOEBEMNN-ATIYNZHBSA-N 446.551 2.327 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc3ccc(F)cc3n2C)s1 1464957046 WTXRSCVSLVBRKO-UHFFFAOYSA-N 436.534 2.140 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1466694794 PUWDNXZOWYXSPM-OAQYLSRUSA-N 426.477 2.148 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1 1471250826 KRAHUPLVBQLHHL-UHFFFAOYSA-N 431.470 2.025 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N3CCC[C@@H](O)C3)CC2=O)cc1 1471761004 AYGKCHLIARNGIP-IEBWSBKVSA-N 432.480 2.147 30 10 IEEE CCOC(=O)[C@](C)(NCc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 1473428808 ZTBXCFHHVSNUDM-HXUWFJFHSA-N 431.470 2.438 30 10 IEEE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@@H](O)C(F)(F)C(F)(F)F 1478786462 PWAIFDMMGHUSFD-GFCCVEGCSA-N 433.324 2.159 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1 1479429712 DXKBDCCLIHTERV-IEBWSBKVSA-N 429.521 2.024 30 10 IEEE COc1ccc(Cn2c(COc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)cn1 1504281222 CECDOHIEABUFPH-QGZVFWFLSA-N 436.472 2.046 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507622778 LSLZSHFWRTUZEF-SJLPKXTDSA-N 444.557 2.238 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC=CCO1 1507704395 ZPMDZXOJEJCZJK-MRXNPFEDSA-N 434.338 2.477 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1507823517 KBQFLSPKZMUGBD-JOCHJYFZSA-N 448.589 2.372 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507966418 RFLQMXWSWSOOGG-LJQANCHMSA-N 440.548 2.280 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1)C1CC1 1507994362 ZXSMIMJAAFNPFP-KRWDZBQOSA-N 444.540 2.033 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508155293 LHOZVHKFXPHAQX-GOSISDBHSA-N 431.610 2.146 30 10 IEEE Cc1ccc(OCc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)cc1 1510989841 VBAHKDBKYXLQCR-UHFFFAOYSA-N 434.500 2.471 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNc1ccccn1 1516538184 HRJJCIGPONAJJS-UHFFFAOYSA-N 434.504 2.247 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cn1 1519150531 GCKMEXVFDJMKSM-HXUWFJFHSA-N 449.490 2.336 30 10 IEEE C=CCN(C(=O)c1cnc(Br)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1520934834 FQQWCBKNAKCJIS-SNVBAGLBSA-N 438.141 2.422 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)nc(N2CCCC2)c1 1539237974 ORNONRAUNHLOAN-RUZDIDTESA-N 448.571 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(F)c2)CC1 1539481327 LDCXHUOTUNDMCF-LJQANCHMSA-N 425.508 2.325 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539520998 ZSZQHXDIPOSXHH-LJQANCHMSA-N 446.573 2.001 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1539555980 HDPSZDJNBYNXBM-DENIHFKCSA-N 443.573 2.402 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1541105509 KBJANCOHSLWGKP-WCVJEAGWSA-N 446.577 2.417 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)cc(OC)c1OC 1542479394 JZAKTLSJTSLVAA-CHWSQXEVSA-N 429.395 2.194 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1544084342 KHVUVBDLIYZVLJ-HXUWFJFHSA-N 440.544 2.246 30 10 IEEE CC[S@@](=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1552453077 GQXRSPUARPHMQE-LRCIQHSVSA-N 438.598 2.413 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1Cc1cnnn1C 1555544968 AHJGNSUQJWIDHX-HXUWFJFHSA-N 436.520 2.221 30 10 IEEE N#CCC1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1555993547 AMASYHXWHANKNT-UHFFFAOYSA-N 435.594 2.081 30 10 IEEE C=CC1(CC(=O)NCc2cnc(N3CCOCC3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1556120651 TWKLKSODJOKBPA-UHFFFAOYSA-N 434.512 2.487 30 10 IEEE N#C[C@@]1(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCc2ccccc2C1 1556243257 NGTAAUYLCIRLAI-LJQANCHMSA-N 448.342 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CCCN(C(N)=O)C1 1570021752 XYDITWSYQPYDJH-VQIMIIECSA-N 441.532 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 1570842623 OBFMKMHMULRYJW-ZIAGYGMSSA-N 434.459 2.491 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCCCCC1)c1cc[nH]n1 1585809171 OEQWFLALGHAWAE-UHFFFAOYSA-N 441.532 2.386 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1587662286 MIZWUPFYULFYNW-XXBNENTESA-N 447.587 2.213 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588041542 XRXFULLNRHNDOO-GOSISDBHSA-N 442.545 2.068 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCOCC1 1588083365 FZGMWHIYZYIAPO-RTBURBONSA-N 425.508 2.351 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(CC)nn(C)c2CC)CC1 1588769071 NZPMYLRZPQYXLS-UHFFFAOYSA-N 442.571 2.479 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1593649952 HJNMURWMWBHQFE-UHFFFAOYSA-N 433.516 2.382 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(C(=O)NOC)CC1 1594722898 BTDSVYOJVYJZEN-UHFFFAOYSA-N 440.294 2.014 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1C 1595551520 RBZATSYOUGLRTR-PKOBYXMFSA-N 443.573 2.132 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(CC(F)F)C2)cc1 1596419944 HIOFSDZOKFWCAC-OLIJMITPSA-N 428.505 2.415 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1596849544 HORXBPBBDUUGFM-GVDBMIGSSA-N 440.614 2.120 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)c(F)c3)c2)C[C@@H](C)O1 1597468201 DUKKSSMUIQQUKI-HUUCEWRRSA-N 431.489 2.425 30 10 IEEE Cc1cn2nnc(C(=O)N3C[C@@H]4[C@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)c2c(O)n1 1598482360 CAZQXDNCZWRWMV-KNVOCYPGSA-N 445.270 2.381 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1(F)CCC1 1608562941 FMCCSJIIQQGCBZ-UHFFFAOYSA-N 440.527 2.292 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1613046895 YVGBVKWAQIHHLD-AUSIDOKSSA-N 438.532 2.117 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1614980690 DOFVKTMUSAURKI-VQTJNVASSA-N 449.559 2.086 30 10 IEEE N#C[C@H](CO)NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 1624090590 IAPYMZBFCVAWFR-QGZVFWFLSA-N 449.507 2.323 30 10 IEEE CN(C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1624580631 AKZYJFLAPOVDJB-AEFFLSMTSA-N 433.530 2.038 30 10 IEEE C#CC[C@H]1CCN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1630401805 UCIDGOKWBUGEAG-MSOLQXFVSA-N 440.569 2.416 30 10 IEEE C=C[C@H](CO)NC(=O)CCCc1nnc(-c2ccccc2I)o1 1633695696 CFTIXFYRJQMKQR-LLVKDONJSA-N 427.242 2.327 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 1634876270 JLQMRHYITSOWLF-UHFFFAOYSA-N 436.459 2.336 30 10 IEEE N#C[C@]12CN(C(=O)NCc3cc4cc(Br)ccc4o3)C[C@H]1CS(=O)(=O)C2 1638091895 QWWHRDMKOUXFRI-YVEFUNNKSA-N 438.303 2.275 30 10 IEEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)C1CCN(c3ccc(C#N)cc3F)CC1)C2 1640364570 CAUMIAAMDPYLAI-SFHVURJKSA-N 425.508 2.085 30 10 IEEE COC(=O)c1ccc(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)[C@@H](C)C2)cc1 1644509839 GILOWXYXPSZEOE-SFHVURJKSA-N 431.492 2.283 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)C1 1645986882 OAEBZUFEXCBRSW-WTWLLKEWSA-N 432.565 2.143 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1649538212 PDGHNRYEQDULBQ-CVDCTZTESA-N 433.597 2.012 30 10 IEEE CC(C)(C(=O)Cn1cc(C#N)c(I)n1)N1C(=O)c2ccccc2C1=O 1656671986 FZJFTBSRBZDUDJ-UHFFFAOYSA-N 448.220 2.003 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3Cc3cc(F)ccc3F)CC2)o1 1659055451 OCPDXJVHFXHZRO-GOSISDBHSA-N 429.471 2.489 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cncc(C(=O)OC)c1 1661407880 CDFKOQBSIVXPJH-IBGZPJMESA-N 432.498 2.219 30 10 IEEE C#CCOc1ccccc1NC(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1670866457 MOFCZXNQZZZIFG-UHFFFAOYSA-N 426.477 2.404 30 10 IEEE C#CCN1CCC(NC(=O)NCc2cccc(OCCN(C)C3CCOCC3)c2)CC1 1678146457 NCTZDRMPPIOKSB-UHFFFAOYSA-N 428.577 2.073 30 10 IEEE N#Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 1683818572 HLWMCLBPTZOCKT-UHFFFAOYSA-N 432.933 2.470 30 10 IEEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1689904366 UGJZOEMCLWSJDU-GOSISDBHSA-N 438.532 2.273 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1689986912 ZPUJYVCMCPCGOB-GOSISDBHSA-N 439.516 2.349 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689992414 KRZKUTQTDKPJNE-UYAOXDASSA-N 446.548 2.061 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689992695 NVMLPFVYRMKOAZ-GOSISDBHSA-N 434.537 2.321 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Br 1690102120 CWXMSHKDLIAZRJ-MRXNPFEDSA-N 432.322 2.126 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)nc2)n1 1690109519 UUWLSOCBJZZOLJ-HXUWFJFHSA-N 435.532 2.016 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1690138257 WXXYUZKQQHBNBP-IBGZPJMESA-N 430.503 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)cc2OC)CC1 1690146318 KZQJDVGXRHZKDL-FQEVSTJZSA-N 437.544 2.113 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1690218453 HHLWUHYCUZFVAF-UHFFFAOYSA-N 435.326 2.060 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(CC)S(C)(=O)=O)CC1 1690414621 DKWVWMKESFLZEX-UHFFFAOYSA-N 449.625 2.214 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1690484892 GQGXDQGPFMSOAD-IRXDYDNUSA-N 432.525 2.281 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1690733744 LYUMVCOMDOTUTA-HNNXBMFYSA-N 430.534 2.234 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690745138 YQQMSFCBWFDYNV-SFHVURJKSA-N 447.609 2.495 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCCCC1 1692162585 FQZNLMDUOMEIHB-UHFFFAOYSA-N 437.548 2.414 30 10 IEEE C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1)N(C)C 1692728926 RTCRMDCUBNXGJR-SJLPKXTDSA-N 447.584 2.277 30 10 IEEE Cc1ccccc1OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1693283154 PJCNKNWEWUKVGH-LAUBAEHRSA-N 447.536 2.400 30 10 IEEE C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCSCCCO)CCO2 1693883887 MHNYQQHDYMEQPP-VGSWGCGISA-N 443.573 2.317 30 10 IEEE CO[C@@H](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1697134765 WYFBCTUDARRUJP-BBRMVZONSA-N 439.394 2.370 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccsc2)CC1 1698312853 CHOJACLMCMXTCD-UHFFFAOYSA-N 442.570 2.445 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1705549749 GYXXJCIOWUYSIG-XMMPIXPASA-N 446.511 2.379 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nc(C)cs1 1705622966 BAROCDACKYHVQM-UHFFFAOYSA-N 445.570 2.248 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC[C@H]2C)CC1 1705636191 AUFWLYWDYHWVHQ-RTBURBONSA-N 439.560 2.390 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705651700 FYNBHQGBVXAIBF-LJQANCHMSA-N 432.638 2.293 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1cccn(CC)c1=O 1705669748 VLKLNXDBNGIJLA-PKTZIBPZSA-N 425.533 2.152 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1705678402 ZNTDMAWXHFPQSU-HSZRJFAPSA-N 449.515 2.011 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1705897679 RFKOCPORJQGOSJ-UWVAXJGDSA-N 441.532 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705930683 TWKWXKXIECRDIW-UHFFFAOYSA-N 427.571 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1scnc1C 1705936316 OAZVLPNDWGFMNA-HNNXBMFYSA-N 425.580 2.174 30 10 IEEE CCCN(CC)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1709715517 FRCHQYUXDSKHKC-GOSISDBHSA-N 428.537 2.423 30 10 IEEE CCOC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710386235 DNQOUVINVAXZPF-HNNXBMFYSA-N 444.536 2.352 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1712006985 AEUIZVJILBRVJT-JOCHJYFZSA-N 444.511 2.470 30 10 IEEE COCCOCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712617440 FMKYJKFEGGNECV-NRFANRHFSA-N 434.500 2.453 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CC1 1712883131 TUXWXPLJTIGKTP-ZDUSSCGKSA-N 434.426 2.021 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@H]21 1722316511 JISFCTLRVXVATB-OTWHNJEPSA-N 435.594 2.183 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)Nc1cccc(Cl)c1C 1722381176 JPBFKDUMXIVVFY-GOSISDBHSA-N 438.919 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC2CCCC2)nc1 1722386226 XJJAQBGYLVQGIP-UHFFFAOYSA-N 432.528 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC 1722397502 QWEYSTUYWFTDIK-LJQANCHMSA-N 426.542 2.008 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1722427208 LCAKVTHGCJITGZ-JTHBVZDNSA-N 426.565 2.431 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCC[C@H]2C)CC1 1722430078 WHSDFEMLUOGFTJ-OAQYLSRUSA-N 449.603 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCc2nnc(C)s2)CC1 1722447803 QCAYGKFXAWSCQT-UHFFFAOYSA-N 429.594 2.235 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1722467932 XWAOOBRGXYYXJG-QVKFZJNVSA-N 449.552 2.214 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722534302 MQBMBJMJNKBXCW-UHFFFAOYSA-N 438.511 2.112 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722672487 RTDVCGXQFGRMNI-HOTGVXAUSA-N 447.527 2.243 30 10 IEEE CCC(CC)[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)N(C)C 1727168604 OYMLUXMDQPKBBM-ZRCGQRJVSA-N 448.612 2.414 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)C1CC1 1730750022 GZLXZEYTZDFEHX-QHCPKHFHSA-N 435.532 2.364 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](Oc4ccccn4)C3)n2CCOCCCO)cc1 1731181727 NZCOKWJABVHZSF-HXUWFJFHSA-N 434.500 2.268 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740586485 CFRZVEDCLBRJKX-QGZVFWFLSA-N 442.541 2.002 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCCS1(=O)=O 1740686322 HNGJLXMKHKZLGA-HXUWFJFHSA-N 430.574 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCOC2)CC1 1740706900 HSLQWCDTQWJAHR-QGZVFWFLSA-N 442.589 2.026 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCO2)CC1 1740707252 VQFACEQKEHOTQK-QGZVFWFLSA-N 443.498 2.292 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1OC 1740802791 NXORQNAQRYZNEO-CQSZACIVSA-N 427.958 2.328 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)c1 1742155772 GKRLRBRHOQIZAM-KRWDZBQOSA-N 447.561 2.062 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748808212 BJCRTKZQAXJSRE-QZTJIDSGSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748809587 NZVHBQPDTHLKBU-SJLPKXTDSA-N 446.598 2.334 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1748940942 SZTIPYABAMVEQK-UHFFFAOYSA-N 448.564 2.294 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)COC)CC1 1748978554 MMFBFHAGMRAGNM-UHFFFAOYSA-N 449.397 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(C)coc2C)CC1 1749004860 ONSNAJCUEOADFO-SFHVURJKSA-N 443.548 2.226 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccn(CC)c1=O 1749591545 UPVJGSYAMHBSTQ-LJQANCHMSA-N 436.516 2.287 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccc(F)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1749681427 AXGKFCUZIOOMKC-QHCPKHFHSA-N 443.523 2.323 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749683322 PNSBHIUQXKOTLT-HXUWFJFHSA-N 435.532 2.020 30 10 IEEE COCCN(C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1/N=CC=CC1=O 1749753063 AZODDCVVLQLWHX-XDOYNYLZSA-N 447.499 2.102 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749761492 AGAWQZCZEPAEAI-LJQANCHMSA-N 425.562 2.285 30 10 IEEE CC(C)(C)[C@]1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750122065 VIZRILCFLKKNFX-DRBGZVQYSA-N 442.564 2.398 30 10 IEEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1750162441 UXJYNLAOSWEWQQ-MSOLQXFVSA-N 430.534 2.019 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1751431888 PBFCYFJOQMNGQC-IBGZPJMESA-N 446.515 2.077 30 10 IEEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)o1 1751487094 BYDLYTSGKWECKQ-OXQOHEQNSA-N 432.550 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)nn(C)c1C 1760102459 KRLWIGYLKSZFMI-AWEZNQCLSA-N 426.546 2.205 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2Cc2cn(C3COC3)nn2)c1 1760126595 CUDSPEGUEWZVHS-MRXNPFEDSA-N 448.531 2.059 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760151085 XFPPOBNIAZZSQV-HXUWFJFHSA-N 445.571 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ncn(C)n1 1760215392 ZEWQNHSSBRWECB-UHFFFAOYSA-N 433.516 2.381 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2OC)CC1 1760389377 JQPXQHGEVPBCEV-KRWDZBQOSA-N 432.546 2.402 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760441842 WOJBXWOIFCOBIS-UHFFFAOYSA-N 432.532 2.051 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCn1cc(Br)cn1 1760503470 JKBCZWZMRLYHNV-OAHLLOKOSA-N 439.358 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1760554916 QVKNBQLBBSYOMX-UHFFFAOYSA-N 429.546 2.361 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1760574034 BBOUJJGCSXIPCR-HKBQPEDESA-N 440.573 2.175 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1761038735 PYVTVNFYKHFMHN-FCHUYYIVSA-N 438.576 2.210 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1768637339 DKCJWURPRPNUEU-UHFFFAOYSA-N 445.589 2.314 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cnnn2)C1 1771530697 RQWSTKMYBHPMEH-SFHVURJKSA-N 431.863 2.029 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCOC(F)F)cc1 1771535165 ZDZAIUHQSBIUFG-DOTOQJQBSA-N 446.458 2.073 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC1(N2CCOCC2)CC1 1772516771 KUKSFCHDUWMZLF-UHFFFAOYSA-N 437.519 2.324 30 10 IEEE Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)N(C)CCC#N)CC4)c3CO2)cc1 1850476226 MKFOBIINSUCMMP-FQEVSTJZSA-N 436.516 2.082 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCN(Cc4nncn4C4CCCCC4)CC3)cnc2c1C#N 1851624584 GSANGPNAVHJAQI-UHFFFAOYSA-N 447.547 2.273 30 10 IEEE CCN1CCN(CCNC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CC1 1851900671 UQEQHOKWQRNPBT-DEOSSOPVSA-N 445.567 2.399 30 10 IEEE O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NCC#Cc1cccnc1 1853311470 HFBNUXRYZMVSAP-UHFFFAOYSA-N 437.853 2.439 30 10 IEEE Cc1cccc(CCCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c1 1853946989 GYHJTQPYKJYQTO-UHFFFAOYSA-N 425.510 2.249 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(Cl)c3)C2)C1 1857477225 HHGMYWSYBSUGBI-AWEZNQCLSA-N 425.876 2.144 30 10 IEEE COC(=O)CCc1c(C)nc(SCC(=O)[C@H](C#N)c2nc3ccccc3n2C)nc1O 1859432945 KEYYOHANQABZST-AWEZNQCLSA-N 439.497 2.452 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 1862605946 HEUCAWUVQAVJMG-FQEVSTJZSA-N 440.427 2.311 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cc(OC)c(OC)cc1OC 1864871848 SGEKMZWWRHOIGA-KRWDZBQOSA-N 428.489 2.005 30 10 IEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1871007992 BMRSBZLMZBFMOF-UHFFFAOYSA-N 440.500 2.411 30 10 IEEE COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc(C#N)cc3)C2=O)cc1OC 1873866824 GHIWAZARWSLSSU-SFHVURJKSA-N 436.468 2.457 30 10 IEEE C[C@@H](C(=O)NCC#CCN1CCc2ccccc2C1)N(c1ccccc1)S(C)(=O)=O 1891351243 QXMLSEDOUBPMPH-IBGZPJMESA-N 425.554 2.019 30 10 IEEE C[C@@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)N(c1ccccc1)S(C)(=O)=O 1892167004 HIEGJQJCMAERIY-KRWDZBQOSA-N 442.541 2.425 30 10 IEEE CN(CCN(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 1900474979 NPWJBCIZRZUDNO-UHFFFAOYSA-N 425.360 2.381 30 10 IEEE C=C(Br)CS(=O)(=O)NCC1(OC)CCN(C(=O)OC(C)(C)C)CC1 2006268766 XHDDGXUPSHCIAQ-UHFFFAOYSA-N 427.361 2.231 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010470929 QSBUGLXIJZLIQW-SLFFLAALSA-N 428.533 2.153 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2occc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2066590998 YVVCCPFULSZQLJ-LBPRGKRZSA-N 433.318 2.317 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141668316 RNFMMCOJTSMPHU-HOCLYGCPSA-N 447.341 2.344 30 10 IEEE Cc1nc(I)c(N)c(OCCC#CCNC(=O)OC(C)(C)C)n1 2210521235 AKNTWAPDVGMJRQ-UHFFFAOYSA-N 432.262 2.269 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243412939 WJXMSXJPKQTROS-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@H](C)NC(=O)OC(C)(C)C 2243419325 WOIVWDJJMKZTQA-NWDGAFQWSA-N 425.360 2.474 30 10 IEEE C#CC1CC(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)(C(=O)O)C1 2247542433 ZZZBQELFADVKSV-TZJZSNPFSA-N 430.501 2.468 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2248402891 BXGLMMAYZWSSNL-UHFFFAOYSA-N 437.371 2.466 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C2)C1 2255705865 AWXNNFHDFYSGQX-UHFFFAOYSA-N 431.342 2.253 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255811063 HSBUMEZWBHIGLN-CABCVRRESA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]2C1 2255863159 LOUSKEJBDPXWBW-HUUCEWRRSA-N 431.342 2.253 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267108949 ZZXLWDUBVQYQDL-INIZCTEOSA-N 446.353 2.352 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267266145 BDBGPBGSESOQKF-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513590 PJIJZRNNBMZZSE-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2267516748 IJGYWOWDHSUPIQ-QFBILLFUSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267529128 XGWTYPUFEVIBLO-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2310284269 VVDAFJBEABADDC-KLHDSHLOSA-N 436.358 2.155 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1 2315398690 JQXYCNGBUXMBHE-QGZVFWFLSA-N 433.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315696690 HWWPUORUNOGLLY-YEJXKQKISA-N 449.382 2.429 30 10 IEEE Cc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1 2327175032 HWEDBPCAPQGHGN-UHFFFAOYSA-N 441.513 2.469 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)n1 2337021545 FFGJFHVUQLZGJQ-JOCHJYFZSA-N 447.341 2.247 30 10 IEEE C#CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc(C(=O)OC)ccc21 9150918 VKWNHOVSELTOOV-MRCUWXFGSA-N 428.491 2.267 30 10 IEEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1cccs1 72472564 NUDKDWQFWVBOPQ-BLLLJJGKSA-N 435.465 2.200 30 10 IEEE COc1ccc(N2C[C@H](C(=O)NCC#CCOc3cccc(NC(C)=O)c3)CC2=O)cc1 90732098 WIYGQTVGOONYQE-GOSISDBHSA-N 435.480 2.205 30 10 IEEE CCOc1ccccc1NC(=O)/C(=N\NC(N)=S)[C@H]1C(=O)N(c2ccccc2)N=C1C 106007882 AGVXSDWUHWGQFL-BMCXAMSBSA-N 438.513 2.252 30 10 IEEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC3CCC(C#N)CC3)c2)CC1 440972841 DPFRFWYKJNTBEK-UHFFFAOYSA-N 433.578 2.464 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc3[nH]ccc3c2)CC1 442779805 JNKPBVJEBNIOQS-UHFFFAOYSA-N 437.525 2.298 30 10 IEEE C[C@@H](C#N)CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C)C1CC1 444662932 JRGVFSPOVJIPHG-KRWDZBQOSA-N 447.605 2.490 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 460953090 SIHNIOIENBCYBA-IBGZPJMESA-N 444.605 2.444 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)C2=O)cc1 489238359 VNBBNWHERHHGCH-PXNSSMCTSA-N 438.434 2.107 30 10 IEEE COc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518027365 FJBWODUKAYWPBG-VQTJNVASSA-N 425.510 2.203 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccc(C)cc3)cc21 526835951 JWFMBTXUJXBSRY-SSEXGKCCSA-N 426.494 2.477 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)c1 532193652 CAHBNZBKCHTXFP-UHFFFAOYSA-N 435.505 2.217 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 553514895 DLKYUTGNQHXAAP-OAHLLOKOSA-N 435.303 2.190 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 558648618 AVGUPGBVKUXKKW-UHFFFAOYSA-N 440.565 2.463 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3c4ccccc4CC[C@H]3C)cc2C1=O 729905671 IMVAUALACUKMJV-CQSZACIVSA-N 439.493 2.285 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Oc2cccc(F)c2)nc1 732457944 CTGYLVYAFTYDHN-VXPUYCOJSA-N 425.420 2.339 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)C2CCOCC2)n(-c2ccc(F)cc2)c1C 740972183 IFRFMCAHHYLOEW-FQEVSTJZSA-N 429.448 2.374 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc(S(N)(=O)=O)cc2C#N)cc1 742175497 VYTNAGBJJVKLEM-CQSZACIVSA-N 436.559 2.409 30 10 IEEE CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754255868 CNGNMGQBWPDIPK-UHFFFAOYSA-N 442.859 2.338 30 10 IEEE CC[C@@H]1CC[C@@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)O1 757302426 AQILXPQYPLKLEN-NEWSRXKRSA-N 433.530 2.466 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2sc(C)nc2C)c1=O 758066093 GJYVXPHKOBAHHJ-UHFFFAOYSA-N 435.530 2.011 30 10 IEEE C[C@H]1CN(c2ccc(NC(=O)CN3CCN(c4cccc(C#N)n4)CC3)cc2)C[C@@H](C)O1 760913838 WGDVUSITUZVIDU-KDURUIRLSA-N 434.544 2.328 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1=O 764520049 CCLNGXBDDFMKIK-NVXWUHKLSA-N 425.466 2.279 30 10 IEEE CC(C)(C)OC(=O)c1ccc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 772244871 RBSFDSAECIYZBA-UHFFFAOYSA-N 430.482 2.424 30 10 IEEE C#CCN(C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 774241435 MHBVAIKDJVYTHZ-UKRRQHHQSA-N 429.336 2.048 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)N(c3ccccc3)[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 781397210 DTJUEJLRYLMPBZ-HXUWFJFHSA-N 436.489 2.477 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 784568783 ZSIRMVIFOZDXPK-UHFFFAOYSA-N 426.494 2.373 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C(=O)OC)sc3ccccc23)n1 788695548 SVRNBMIDKFOMHA-UHFFFAOYSA-N 447.538 2.355 30 10 IEEE COC(=O)c1cc(S(=O)(=O)Nc2cc(C#N)ccn2)ccc1I 788845586 HFJCOHZIXXJESS-UHFFFAOYSA-N 443.222 2.145 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2cccc(F)n2)C1=O 790736205 MKLBBRZUPRSRLT-HNNXBMFYSA-N 435.550 2.482 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@@H]2C1 809886316 XHXCZLIXFLEWQZ-QZTJIDSGSA-N 432.569 2.447 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCN(Cc3ccc(C)cc3)CC2)n1C[C@H]1CCOC1 812391268 WBRZFGSNEISROP-XMMPIXPASA-N 446.599 2.014 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2occc2C)cn1 813562716 BVVACILHCRMKOF-KRWDZBQOSA-N 432.550 2.004 30 10 IEEE CC(C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cc(C(F)(F)F)on1 817041938 OOGPMDHZEBPIBK-UHFFFAOYSA-N 430.408 2.174 30 10 IEEE C=CCOC(=O)[C@H](CC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)NC(=O)OC(C)(C)C 883984297 STAYCWXKYBKVTM-SCLBCKFNSA-N 438.443 2.305 30 10 IEEE C=CCNS(=O)(=O)c1ccc(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)s1 904541237 GHMMIYBEVRXTEP-UHFFFAOYSA-N 439.540 2.257 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 921164484 HHFDJRGXKLIBGE-CYBMUJFWSA-N 432.420 2.201 30 10 IEEE O=C(NCCS(=O)(=O)CC(F)(F)F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 1130659981 OTSMAGSXDMVOAX-UHFFFAOYSA-N 448.320 2.132 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OCC 1132934237 BUYQYJJGMYDYFO-HZPDHXFCSA-N 428.576 2.471 30 10 IEEE N#C[C@@]12CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@H]1CS(=O)(=O)C2 1134274799 BBYBSGRXAKMOHZ-GTNSWQLSSA-N 425.297 2.189 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3nscc3I)C2)nc1 1141570128 BDWFGTBMNUYWSP-SNVBAGLBSA-N 426.239 2.308 30 10 IEEE C[C@@H](COc1c(F)cccc1F)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1146919137 MXLIFPNNNZIHKY-OLZOCXBDSA-N 437.468 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(CS(C)(=O)=O)CC3)C2)C1 1159257487 AQGYPBCPRPEFOB-BQIYRTECSA-N 439.578 2.056 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)ccc1F 1161863628 DSASEFFJZKTMKO-MRXNPFEDSA-N 435.477 2.140 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc4ncc(Br)cn4n3)CC2)c(F)c1 1264895006 GDXUCKKIFZCONW-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC1(O)CCOCC1 1286402651 CIIYDXPWAYEJNR-UHFFFAOYSA-N 430.512 2.340 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCN(C)CC1 1286444305 VGPZUYLGFUGGCB-UHFFFAOYSA-N 430.578 2.293 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286509065 MKQYRXSIYJOTIT-QGZVFWFLSA-N 432.638 2.022 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1286516238 YVWDDNRQANDYMN-FYYLOGMGSA-N 431.581 2.033 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(C(=O)NC)C1 1286548186 RVTHWDWSUUVILC-QSAZIKIQSA-N 446.596 2.140 30 10 IEEE N#C[C@@]12CN(C(=O)C3(Cc4ccc(OC(F)(F)F)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1289205048 LXCJJABWHCKFNT-KSSFIOAISA-N 428.432 2.305 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 1289613279 JIBUYZDQAUMPBQ-UHFFFAOYSA-N 429.502 2.180 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1300365197 RCMGSLPJNKNTCB-IRXDYDNUSA-N 449.602 2.327 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1300489846 UDXKFBKXNPMFMY-NRFANRHFSA-N 440.569 2.481 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300506141 NLFIQKHDIBBXTL-ZWKOTPCHSA-N 434.949 2.458 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300621021 JNXSLXOTMNJDEY-CQSZACIVSA-N 430.509 2.379 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1300630544 DOCYBWDTCIOSJW-CQSZACIVSA-N 431.543 2.405 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301170323 RSJUGSOFZKNHPO-UHFFFAOYSA-N 442.612 2.445 30 10 IEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301207416 VUZFMQMDLHOHNX-HNNXBMFYSA-N 437.342 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301491669 NHAUCBVCRAJYLG-INIZCTEOSA-N 429.496 2.161 30 10 IEEE C=CCCC[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1312368745 GBCBFHQZQRLORQ-MRXNPFEDSA-N 444.598 2.008 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1313491102 CBXMRDFWTNHSHB-UHFFFAOYSA-N 432.532 2.460 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1321218051 QRZDTDJSOPHJKV-UHFFFAOYSA-N 435.532 2.197 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1358886853 LUDOXSPUMCJGRM-DGCLKSJQSA-N 433.415 2.066 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1358908304 SEYCVBBNNJFKEC-UHFFFAOYSA-N 448.527 2.422 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)cs1 1359003066 XBUMZJMQAYPDAR-UHFFFAOYSA-N 444.586 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1359043655 CKSCIARGFZHSIV-WOJBJXKFSA-N 449.603 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(N(C)C)CCOCC2)CC1 1359044755 NUOCWWIMCUHRSE-UHFFFAOYSA-N 442.608 2.012 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)CC1 1359178988 IPIMWXIPYZMYGO-RKOGDMNLSA-N 428.624 2.130 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1359307252 FMIASGGNMBPTNR-PXNSSMCTSA-N 425.533 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H]2C(C)C)C1 1359321634 JRBVZZKTPHNXLN-MANSERQUSA-N 438.594 2.023 30 10 IEEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359718133 TVAJSGDEFKVWEE-FXAWDEMLSA-N 439.539 2.061 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1361017750 BRYHUYLTWUHSMV-AEFFLSMTSA-N 439.520 2.201 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccccc3S(C)(=O)=O)ccc2c1=O 1451519453 AORGAYUJTNVIFJ-UHFFFAOYSA-N 429.523 2.205 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3CCc4cc(C#N)ccc43)CS(=O)(=O)[C@H]2C1 1468915406 KVIPKIIUDJGQOF-SCTDSRPQSA-N 445.541 2.118 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)N[C@@H]3CCc4cc(C#N)ccc43)nn2)C1 1478587158 JJQFIJRFLLFNKP-LJQANCHMSA-N 437.504 2.428 30 10 IEEE Cc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492797101 SJVYAHGMHPQFJN-LSDHQDQOSA-N 434.500 2.212 30 10 IEEE CC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1493470362 ONTKTAHVLBRWHZ-XUTLUUPISA-N 438.536 2.220 30 10 IEEE CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1500322253 KVNZMUCYFXIFHN-UHFFFAOYSA-N 437.548 2.180 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 1501159208 DDQSHOUAEWAUOY-FQEVSTJZSA-N 440.548 2.363 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1504108841 FINGYUXVPINVJB-RHSMWYFYSA-N 444.923 2.251 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1507539869 BHFOVLXJWJHEQX-INIZCTEOSA-N 427.553 2.465 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507593585 CRULSMWTFVWHAM-NRFANRHFSA-N 426.546 2.158 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507629483 MVMZPXOTPSEJDU-MRXNPFEDSA-N 442.463 2.498 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1507740465 UFEJPRPLIKMTGC-SFTDATJTSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507755632 VRYPLRYJLRYJCB-IBGZPJMESA-N 440.573 2.244 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1508166584 BNSJBKCCORXLBJ-DYESRHJHSA-N 435.594 2.094 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCn2cc([C@@H]3CCOC3)cn2)n1 1511670256 UTGHXPCKARGWJW-IEBWSBKVSA-N 437.552 2.279 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCCO1 1512515378 IDGRIIRAZAOHPO-GCJKJVERSA-N 426.569 2.310 30 10 IEEE CS(=O)(=O)CCCCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1519523600 JDTCKUBEIIEPIW-IBGZPJMESA-N 431.562 2.007 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 1525698631 KRUAQCFCOQCHGO-UHFFFAOYSA-N 445.475 2.444 30 10 IEEE C=CCN(C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)[C@H]1CCS(=O)(=O)C1 1537473751 GRUUNXFRXZIIFZ-CNNODRBYSA-N 432.542 2.237 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ncccc3Br)C2=O)cc1 1537890746 ZHHWMKINGXNSOM-HNNXBMFYSA-N 442.273 2.237 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539124456 PDQALNIAFWZEPK-UHFFFAOYSA-N 447.518 2.242 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCOCC 1539142157 LFOUIKQIIVAWSX-UHFFFAOYSA-N 425.533 2.356 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(CC)C1 1539284569 RJYANRSAFOOPOA-SLFFLAALSA-N 440.592 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H]1OC 1539399673 PEWYELHKUIEHGO-ICSRJNTNSA-N 446.573 2.250 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)c2ccccc2F)CC1 1539446610 HCWPEFYFJMSHQI-IBGZPJMESA-N 426.540 2.203 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539505886 FHHYWFILROCMGO-SFHVURJKSA-N 429.590 2.477 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1539627682 KXJLIQQRZMZTOG-QFBILLFUSA-N 431.562 2.335 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539889988 GFWOHZNYWPUZAX-SFHVURJKSA-N 449.621 2.231 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539900543 PNALCDFTDNLXFJ-LJQANCHMSA-N 431.629 2.235 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1CCOCCS(C)(=O)=O 1541800756 GTWLPCUACSSVIT-CQSZACIVSA-N 425.942 2.398 30 10 IEEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1542971339 VJVZGDUAUBHWNN-MRXNPFEDSA-N 448.597 2.004 30 10 IEEE COCC1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555364643 VSCPHYCTSVOFDE-LSDHQDQOSA-N 436.516 2.334 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1555557642 YDZMHAPPNPCGLX-PGRDOPGGSA-N 426.521 2.353 30 10 IEEE CS[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1555851739 DSWVTORXBVSHOG-IYOUNJFTSA-N 429.587 2.400 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(OC)c(OC)cc2I)CC1 1558104228 WJHZMAQBTQPALQ-UHFFFAOYSA-N 429.254 2.299 30 10 IEEE CC(C)(C[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1)C(N)=O 1559847776 AARQWVSUYCLKBP-RXVVDRJESA-N 443.567 2.148 30 10 IEEE C#CCN1CCCN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1565815414 FNUOGJZVFARDKE-XMMPIXPASA-N 447.535 2.054 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1566409379 CCCNEJBZHOMOOY-CBZIJGRNSA-N 426.521 2.173 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 1568071170 FCXXRLBNDCQZHM-MRXNPFEDSA-N 448.545 2.495 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1583308356 PLVUYRNTICYEOQ-INIZCTEOSA-N 439.553 2.249 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 1587003912 AWRFSMZJBSTKQT-UHFFFAOYSA-N 443.301 2.335 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588044737 BPYCOMAIEHDFDI-HZPDHXFCSA-N 444.586 2.171 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1588388299 ZXPBRHNMBMBAPP-MGPUTAFESA-N 436.965 2.201 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nncn2CC)CC1 1588742262 POKPTIYBCOOSRT-HXUWFJFHSA-N 448.575 2.450 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 1593733403 CQPJKLDVUVKPGP-IBGZPJMESA-N 430.258 2.046 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](COC)C1 1594608862 XXPFFVPSEDQGDU-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1594820121 UPQFLJKYKCMSHY-UHFFFAOYSA-N 447.543 2.214 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1595064974 FJYIFYDLFNFRIV-INIZCTEOSA-N 449.602 2.392 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1595507196 ZIFUMRUACHCVIN-QFIPXVFZSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1595516924 LWGZUEBNICTBKY-CZUORRHYSA-N 434.422 2.275 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595805302 MYUVWVHDOOQGJT-IBGZPJMESA-N 449.625 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C(C)C)C1 1595811866 FAOWMSNMOFBQRL-GOSISDBHSA-N 435.619 2.443 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1611308138 MBYKJGIKKNBMJR-HKUYNNGSSA-N 425.537 2.190 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1613528801 ZQWJQHYENOAUAB-HTXNQAPBSA-N 445.568 2.205 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)nc2)CC1 1618827282 OVTLMVOIOQEMJM-UHFFFAOYSA-N 436.907 2.375 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)nn1 1622441504 OLELKWRWJUAPNX-UHFFFAOYSA-N 428.312 2.054 30 10 IEEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1624303046 DNRZVPZXUVJTGO-CRAIPNDOSA-N 426.510 2.241 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)CCO2)cc1 1626962871 QRGOKKXUSGGJFP-NHCUHLMSSA-N 425.510 2.311 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCN(C[C@@H]4CCCO4)CC3)C2)C1 1631216933 OIJMEAZKOQWBAM-ZUKXXSLGSA-N 446.592 2.487 30 10 IEEE N#Cc1cccc2c1CN(C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C2 1634986133 BPNMRCZGLOQDHZ-HXUWFJFHSA-N 436.487 2.440 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)c1 1639556407 LHSWKQNWKKJROT-NRFANRHFSA-N 430.508 2.158 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1639556755 WNOIUEBPYTYSME-IBGZPJMESA-N 444.532 2.095 30 10 IEEE CN(C)C(=O)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1640834113 NPSSRIPTRRYGRI-LJQANCHMSA-N 441.532 2.218 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C(=O)OC 1642698235 NPJJAEZWGOSTSA-QGZVFWFLSA-N 448.497 2.439 30 10 IEEE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1644174704 FKGGOOLRHGHXLU-SJORKVTESA-N 428.489 2.342 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 1658582368 LMMIVUMQSOBCQF-DAFNUICNSA-N 445.589 2.499 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C3CCC2(CNC(=O)OC(C)(C)C)CC3)CC1 1660592317 URVVWGOCNIMNNA-FVRICEFQSA-N 433.597 2.200 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 1662343073 BYVFQWYRSYXOHQ-LLVKDONJSA-N 440.241 2.152 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1669803608 HFBRBOFKNBMCSK-HXUWFJFHSA-N 431.539 2.355 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1C(F)(F)F 1671494980 JMOYTJAYYGCYQK-AAVRWANBSA-N 448.442 2.128 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)Nc4cccc(C#N)n4)CC3)cccc2c1 1673090624 HWBNUANYWNPGAJ-UHFFFAOYSA-N 436.497 2.348 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1681433083 BWXQPSGSNHBWQE-WMZOPIPTSA-N 442.495 2.288 30 10 IEEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)O2)[C@@H]1C 1681515113 FRQKPGUAODTLID-NCRVWVENSA-N 426.517 2.325 30 10 IEEE C#CCN(c1nnc(C)n1CCC1=CCc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 1689981991 FPXUTXXAGXHSFH-IBGZPJMESA-N 426.542 2.252 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689986479 QUWUWQLOLDHKBS-LPHOPBHVSA-N 432.521 2.136 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)OC)c1 1690003642 SZBSXLYLGXYFHG-HSZRJFAPSA-N 437.500 2.230 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC(OC)CC1 1690073666 CIOGVPUQTQXVHU-UHFFFAOYSA-N 442.564 2.355 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1690131370 YIAGTOGRQQHFDY-UHFFFAOYSA-N 439.560 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1690246435 UMIFFZLTTLIAGV-TVLITYMTSA-N 426.558 2.346 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690319218 GOBJJQSMXIMCFC-QUCCMNQESA-N 436.516 2.036 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690361071 GIIFYVSHCHSKAS-BZSNNMDCSA-N 437.972 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccc(F)cc1 1690714614 PXZPVLBPTDLCLA-UHFFFAOYSA-N 449.552 2.281 30 10 IEEE COc1ccc(CCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1697405355 OWJOCQRHXMUYFU-QGZVFWFLSA-N 434.500 2.287 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccco1 1698164660 HHEXHSMOTSRSSZ-KRWDZBQOSA-N 437.504 2.237 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705529069 BZZRNOWNOFAYKK-QHCPKHFHSA-N 436.516 2.182 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)ccc1OC(F)F 1705582944 NINSRMVPZWUOEL-INIZCTEOSA-N 448.495 2.211 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nccn1C(F)F 1705629299 CVBXAFXTDDPJOE-UHFFFAOYSA-N 440.458 2.243 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)COC)CC1 1705636502 MRICGKQUPYZEJB-GOSISDBHSA-N 427.549 2.390 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)C(=O)NCC)CC1 1705640373 OYXVHAOPAIKNGM-UHFFFAOYSA-N 444.530 2.065 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1705669667 SNZNYTKFLGBUTN-UXHICEINSA-N 447.381 2.105 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705738344 UOHGUIKXIKLEDR-HSZRJFAPSA-N 437.548 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705899103 IACZEHLCZWGKST-UHFFFAOYSA-N 440.548 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705935419 RAXNVRNLMKBLIY-YZGWKJHDSA-N 448.564 2.470 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(CS(C)(=O)=O)c1 1706076372 BOIHUXSCACWJBM-QGZVFWFLSA-N 438.557 2.453 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCOCC1 1706076745 HIJFYODLYRDREN-RBUKOAKNSA-N 436.564 2.081 30 10 IEEE Cc1ncsc1CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1707005279 HXMPRHCCAZZYIY-AWEZNQCLSA-N 443.558 2.006 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708848693 UFXFLDPGFJPPPD-FBBFKJPPSA-N 435.532 2.417 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710326559 BGDMQLSIYKOGAT-PGRDOPGGSA-N 426.496 2.412 30 10 IEEE CN(CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)CC(F)(F)F 1711200620 CLANQEDBLNDBBP-IAGOWNOFSA-N 441.502 2.190 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1712090354 AWTXOWMYPYLSSL-VPWXQRGCSA-N 430.440 2.347 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCn2ccnn2)c1 1722310546 WSILHTWMEYGZJC-FQEVSTJZSA-N 448.531 2.258 30 10 IEEE C#CCCCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1722321912 DGYQNBVGTOZMNQ-GOTSBHOMSA-N 442.564 2.219 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365855 FPBVMXRSGCILRF-REWPJTCUSA-N 442.585 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccsc1)N(C)C 1722370781 OTQMLEWTBTVVAI-SFHVURJKSA-N 433.541 2.363 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722485103 WRXDLQPUKZPRCT-KRWDZBQOSA-N 438.351 2.264 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722511000 WSNAESWLRUWOCS-WOGUSJMUSA-N 433.578 2.465 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2)CC1 1722566762 YRFRKUZZAOGJKF-QGZVFWFLSA-N 432.546 2.402 30 10 IEEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722588445 SRCUTKXARXNOPP-UHFFFAOYSA-N 430.597 2.383 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1722866939 DLPQSGFSRMDDHZ-RDJZCZTQSA-N 440.529 2.479 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1723817589 FRDISYANJXQVAU-SFHVURJKSA-N 441.543 2.360 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)(F)F 1726955080 GGXNWNIRWINBJV-NSHDSACASA-N 437.426 2.005 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1740620122 NTJIAYVOYVYDKW-NRFANRHFSA-N 446.536 2.081 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740620963 ITCKXEWECXYSAP-SFHVURJKSA-N 427.505 2.098 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCOCC1 1740662528 MNVAJOPSCXHAQA-UHFFFAOYSA-N 436.354 2.437 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1740694074 XPVPFTZUYNUCMI-IBGZPJMESA-N 439.564 2.256 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOCC)CC2)CC1 1740698349 DNWCLXWSJLSPPD-UHFFFAOYSA-N 425.581 2.102 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCN(CC)C2)CC1 1740708342 LZHWLHXPEDMOSA-HXUWFJFHSA-N 426.609 2.318 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCOCC2)C1 1740751194 YWVCYDOIACUDGE-QZTJIDSGSA-N 449.621 2.500 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740786788 OLXQIJCQZWMYCN-KRWDZBQOSA-N 441.536 2.013 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCCS2(=O)=O)CC1 1740833525 RWJXZAOOPMWXCP-FUHWJXTLSA-N 426.583 2.372 30 10 IEEE Cc1ccccc1CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742438698 XVBYYTRXLUNADO-HYHOCUEZSA-N 436.516 2.253 30 10 IEEE CCOc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)c1 1746862448 FGWUHVSZAJFHRI-IHPCNDPISA-N 427.505 2.178 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)C1 1748330142 HKJJQIPEPKOWDW-IPMKNSEASA-N 439.516 2.279 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(F)(F)F 1748404472 FHCLGGHMCROBSS-CJNGLKHVSA-N 436.438 2.451 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1748759738 NYFGORXOYCHWAB-IAGOWNOFSA-N 429.546 2.400 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCSC2)CC1 1748983624 WDMMNQCSSKOITM-OAQYLSRUSA-N 447.992 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCCC2(C)C)CC1 1749011129 VUQDWBAZQHMIHV-DEOSSOPVSA-N 438.576 2.191 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(N)=O)CC1 1749115773 VXVPZQGHHYKDQZ-XLIONFOSSA-N 446.596 2.270 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749208775 CRVPPVBZKNWGHM-HZPDHXFCSA-N 430.553 2.293 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1749651005 LSTLOUKPKMOZBM-SFHVURJKSA-N 438.576 2.294 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC 1749730948 WQLSOCCGYBAFJD-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1760128986 AXJCHFKRHJDKBK-UHFFFAOYSA-N 430.516 2.451 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 1760155069 OZNCMRKILOCXOL-HXUWFJFHSA-N 443.573 2.193 30 10 IEEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760176401 JUGKGKXEEHTTNJ-JOCHJYFZSA-N 447.587 2.293 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1760181772 BJBNCHADDYOQIF-GOSISDBHSA-N 431.562 2.260 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc([C@H](C)OC)n2)CC1 1760381818 BCJMQBWOLKLXIK-KGLIPLIRSA-N 440.595 2.257 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(F)(F)F)CC1 1760389987 YIFYUICKYHWPKT-AWEZNQCLSA-N 437.488 2.110 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1)C1CC1 1760473709 CXHQXNCELZUFFN-LBEKAKSKSA-N 448.614 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1760547927 URDAZSZRPWNBSU-INIZCTEOSA-N 447.561 2.018 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1761362197 APVREKRGIKDHDD-VXGBXAGGSA-N 425.502 2.214 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1761362560 DJLFPQATDGJMFA-YXGRLTDGSA-N 444.561 2.063 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1763773684 PNEGBDIGMITSSY-UUOWRZLLSA-N 435.576 2.464 30 10 IEEE CCOc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1767523707 KMNBVUJYNVCNDF-MSOLQXFVSA-N 427.505 2.356 30 10 IEEE CO[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1769595096 JEUXKECFFGSHCL-SJKOYZFVSA-N 441.389 2.335 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1770107608 ORUHVHBXHRCIGO-UHFFFAOYSA-N 436.520 2.118 30 10 IEEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)cc1F 1853015343 RZDGQOXCKSNZRU-UHFFFAOYSA-N 449.490 2.269 30 10 IEEE CC[C@@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1C(=O)COc2ccccc21 1853081171 XQAZWGPKZPORLG-NSHDSACASA-N 433.408 2.061 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CC[C@@H](Oc4ccc(Cl)cn4)C3)C2=O)ccn1 1855102893 MMPXLURQZUCWER-QZTJIDSGSA-N 425.876 2.286 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CN(C(=O)C3CC=CC3)C(=O)O2)CC1 1856386991 ATJLUKGLFRIJEO-SFHVURJKSA-N 429.498 2.273 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(F)c(Cl)c3)C2)CC1 1857034311 PNOYLKNVJBZBTQ-CQSZACIVSA-N 427.885 2.033 30 10 IEEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870156246 CPKVIFKOLBAQOR-UHFFFAOYSA-N 448.830 2.033 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3cccn3C)CC2=O)cc1 1874198304 VZUWLRLCCYIRNQ-IKMPRTQCSA-N 440.529 2.112 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCc3ccc(C)cc3)ncnc21 1875227436 AUCZFYMAFFRSRW-UHFFFAOYSA-N 448.571 2.330 30 10 IEEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890173733 HELFCDQVNXAUCC-UHFFFAOYSA-N 427.589 2.275 30 10 IEEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1890691570 GNOUHQYEDVXSOH-HXUWFJFHSA-N 437.993 2.489 30 10 IEEE C=CCN(CC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985011423 NNCSIPDGEBXIAA-HOTGVXAUSA-N 427.542 2.144 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N=c1ccc(I)n[nH]1 2010327268 HNEGTQHEIJZEJH-SNVBAGLBSA-N 445.261 2.029 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2023018483 QSESAOWKKHKECI-AUSIDOKSSA-N 428.533 2.249 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)OC1(C)C 2116071510 QXSYJFVARIILEG-DEOSSOPVSA-N 436.365 2.257 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523973 MRGYWXPRSKYTMO-SFHVURJKSA-N 446.353 2.238 30 10 IEEE Cc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1C#CCO 2145936728 GETFWHFRVICIBF-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC(=NO)CC2)C1 2164487010 IPPRMCXTFOFSET-IBGZPJMESA-N 437.493 2.047 30 10 IEEE N#Cc1ncc(Br)cc1N1CCO[C@]2(CCCN(C(=O)C(F)(F)F)C2)C1 2174712320 NYAPQSCFVXUGHN-OAHLLOKOSA-N 433.228 2.476 30 10 IEEE N#CCc1ccc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1 2174779071 FGQQUXIPJPTJRK-LJQANCHMSA-N 429.498 2.069 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@H](O)[C@@H](N)C#Cc2ccccc2Br)C1 2227476035 OAKMRDPKBCUUBT-YESZJQIVSA-N 425.323 2.125 30 10 IEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2243435826 XWFZFGHXTBWZJX-HNNXBMFYSA-N 430.376 2.445 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2247824148 UURDPVIWJMLHDG-OLZOCXBDSA-N 437.371 2.394 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420612 XPARDSBMZWQBLJ-OCCSQVGLSA-N 437.371 2.314 30 10 IEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255378080 VMGJTCGAGJSHFL-JKSUJKDBSA-N 433.358 2.499 30 10 IEEE Cc1c(C(=O)N2CCCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534896 NIGQRNIVGFDZCV-UHFFFAOYSA-N 434.346 2.416 30 10 IEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255537081 QZPYLLZOVPEIKO-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](C)N1C(=O)OC(C)(C)C 2255627055 NIXFEODUCLBKFA-OKILXGFUSA-N 434.346 2.179 30 10 IEEE CC[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)C1 2255628023 BVQYOSPKIBQFKY-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255635990 OCXBCNDPHVNNLU-ZIAGYGMSSA-N 449.382 2.381 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255821775 GEICTNWRWZDBBA-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2cc(F)c(C(=O)NCC(=O)NCc3ccccc3)cc2F)OC1(C)C 2255881120 QPAFSUATGJVPOI-UHFFFAOYSA-N 430.260 2.310 30 10 IEEE CO[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2256669211 MHTKDHDMJZIIIA-QGZVFWFLSA-N 436.358 2.400 30 10 IEEE Cc1nc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2258243837 ZBGZUIYPNMVQHL-UHFFFAOYSA-N 447.288 2.034 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2266984280 UFWUOXJNVVFBKC-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE Cc1c(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995747 CQJHOFPDUSEZOF-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267092243 MVROBFIFAURQSE-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267093798 YCSKYSZNHWXKSB-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]12 2267096946 MDVWJXNRYLEEHB-OYHNWAKOSA-N 446.357 2.371 30 10 IEEE Cn1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120157 GJQWIUZUCZQLQK-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CCC2)C1 2267146830 MYYDIWXIJXZJFI-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2267180363 CWXYXNZXZYDLBI-ICSRJNTNSA-N 436.365 2.066 30 10 IEEE Cc1nn(C)c(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267186368 ITEONFMYABSSTN-UHFFFAOYSA-N 448.373 2.203 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267276224 ZKWDTHMJGRRDDQ-IQMFZBJNSA-N 445.369 2.311 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267494690 VDJLDBGAFJUHRX-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523187 YBHZWHJNLBPACU-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N(C)CC2(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528434 DUSXXLICWHEVOJ-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267609408 PJKJETGNSVBUGI-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2337291743 JQFBGRVGQXZXOZ-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE CC(C)(C#C[C@]1(OCCC(=O)O)CC[C@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2365248146 KFSHTUBZBAIPBI-DYESRHJHSA-N 437.514 2.132 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)cc(OC)c1 20906299 IVLFOKZSGUHNCD-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE COc1ccc(Br)cc1/C=N/Nc1nc(SCC(=O)NC2CC2)n[nH]1 59019089 DVDTXPDUOWBCLW-REZTVBANSA-N 425.312 2.393 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc(OC)c1 59309873 JNEGPQSWLLMVEL-AWQFTUOYSA-N 444.521 2.349 30 10 IEEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1c(F)cccc1F 59884759 PZGWLTWFMODXCS-ODCIPOBUSA-N 448.415 2.355 30 10 IEEE C#CCN1C(=O)[C@H](c2c(-c3ccc(OC)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c2ccccc21 101859190 QLMHIVMAZOUJHW-SFHVURJKSA-N 440.459 2.342 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1OC 102505182 XMCVEFJSELXDDQ-LCPUNJGISA-N 425.485 2.472 30 10 IEEE CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 105969458 JWAAKLUMIQOJRO-RCCKNPSSSA-N 425.357 2.027 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)CCO1 409488621 YAGQSZHXIKYHIT-FUHWJXTLSA-N 437.566 2.231 30 10 IEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 438905196 WLACUQNZVYBXTR-UHFFFAOYSA-N 445.497 2.010 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(C[C@H]2CCCO2)c1=O 440387430 UPCRNVXQXBLGPO-GOSISDBHSA-N 449.532 2.156 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447265419 GVKMRKMUKBUUAT-UHFFFAOYSA-N 442.491 2.032 30 10 IEEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)c1 461276429 DHSKFLXXGRBVSP-GOSISDBHSA-N 429.440 2.291 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 466102081 KBKAVZCHPNESSD-UHFFFAOYSA-N 446.504 2.229 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCCCCn3cc(Br)cn3)CC2)n1 472306328 QJICPGKIBJVBCA-UHFFFAOYSA-N 432.326 2.224 30 10 IEEE O=C(Nc1nccs1)[C@@H]1CCCN1CC#CCN1CCC[C@H]1C(=O)Nc1nccs1 472573860 KRCINKDTDDARCP-HOTGVXAUSA-N 444.586 2.109 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)c(F)c1 475831432 VFIZHORYANTODU-UHFFFAOYSA-N 439.495 2.307 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(C)cc2)C1=O 485664255 TXGMCAZHMQNIHJ-UHFFFAOYSA-N 446.467 2.261 30 10 IEEE C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](c2ccccc2)O1 492517693 YMPWKKYKWRKCBW-OXJNMPFZSA-N 430.468 2.125 30 10 IEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508510966 SNWIXAOAYHVZJE-LJQANCHMSA-N 447.543 2.392 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1C#N 511083819 XBQLQCZMGQKAOD-UHFFFAOYSA-N 446.919 2.229 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 523358510 OOGFSUWPDWKZAM-LJQANCHMSA-N 449.467 2.397 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 525948730 CQZFILOPQSBDGI-INIZCTEOSA-N 433.555 2.029 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 533514357 MLTYBVGFHWNIHN-LJQANCHMSA-N 443.567 2.337 30 10 IEEE CSCC[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1nnc2ccccn12 544888525 LXPYBUOOQRLZLB-KRWDZBQOSA-N 436.545 2.322 30 10 IEEE CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 545274103 TVWSMZWPDFXEKV-AWEZNQCLSA-N 433.538 2.202 30 10 IEEE Cc1cccc(N2CCN(CCCNC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)c1 546883233 DYXCDGVLJQZOMW-UHFFFAOYSA-N 447.587 2.306 30 10 IEEE N#Cc1cccc(-c2csc(NC(=O)C(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)n2)c1 559052489 SXQHHSOOFNFMCR-SJLPKXTDSA-N 440.525 2.304 30 10 IEEE Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c(O)cc21 568339254 GIBPHFUBBHLPMB-UHFFFAOYSA-N 426.376 2.274 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 589298666 RUPGCIUABOSNOH-UHFFFAOYSA-N 438.506 2.068 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619742127 HTQJDTHFONFZIE-UZLBHIALSA-N 439.520 2.028 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O 730141340 JKAPXEABBZXYFV-OAHLLOKOSA-N 426.489 2.450 30 10 IEEE Cc1ccc(-n2nnc(CC(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C)cc1 730405271 GCGIBWZHRODODP-UHFFFAOYSA-N 429.889 2.457 30 10 IEEE COc1cc(C=NOCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc(Cl)c1OC 749780822 YWMWAYKRJIQELC-INIZCTEOSA-N 427.929 2.181 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755574196 HOCCBLMRYRCRRZ-INIZCTEOSA-N 433.452 2.392 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC(F)(F)C2)c1 757920823 GOZKDSBNZMWDJW-QGZVFWFLSA-N 434.512 2.465 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCCc2c(C)nn(C)c2C)C1=O 774574700 IIZSPPWGKZMINA-QGZVFWFLSA-N 444.561 2.141 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1cccn1-c1cccc(I)c1 783542159 POEQRNHIKWRLIM-UHFFFAOYSA-N 444.294 2.413 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CCN1C1CC1 787492756 HILIWBNCMHLFJO-HNNXBMFYSA-N 427.411 2.289 30 10 IEEE CSCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCCC2)nc1 789989252 CWOYAYUSFXIWMH-UHFFFAOYSA-N 428.591 2.486 30 10 IEEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 790541669 GGLIUVVKCZPFOR-QFIPXVFZSA-N 430.505 2.186 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)ncn1 790739199 NJVCTKCMFUCCGO-INIZCTEOSA-N 432.575 2.046 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCO1 790862642 KHMDTSIWEVHZTG-SUMWQHHRSA-N 427.498 2.141 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCF)C1=O 797803326 RDHHAZDPFDQTDZ-CQSZACIVSA-N 432.468 2.257 30 10 IEEE CCCCN(C(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 803922169 LXCVYEOZXHNZGB-SFHVURJKSA-N 436.505 2.088 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 809909938 LNPMNLPTDFGSGT-IAGOWNOFSA-N 444.540 2.206 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)cc2c1OCCO2 838651659 GPNNDXOOEXAUFF-UHFFFAOYSA-N 431.473 2.014 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccccc3O)n2N)cc1 1084536206 NVEYPZICURMUBT-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1135005886 LGGHDMLBLARFFN-MRXNPFEDSA-N 441.488 2.368 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 1143759011 IBBZTLYXZSKCLQ-ZDUSSCGKSA-N 434.452 2.422 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCCn2cc(Br)cn2)c1 1156839538 XLBMNLZSBMPLLS-UHFFFAOYSA-N 443.298 2.292 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1231405710 YGKATXDYCSEUPE-NRFANRHFSA-N 426.542 2.301 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1286389690 ORHPTGHIIRLJKF-GFCCVEGCSA-N 445.492 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C)n(C)c1=O 1286412871 NXMRDZGAXHBBGV-UHFFFAOYSA-N 429.524 2.200 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286428844 XDHONFKITUZPJL-PMACEKPBSA-N 431.606 2.144 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@@H]1CCOC1 1286456283 PSHKMBZGJUHLRO-UXHICEINSA-N 441.507 2.204 30 10 IEEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286632041 CRVGQCMLIQMSHP-UHFFFAOYSA-N 439.969 2.308 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCNS(C)(=O)=O)CC1 1286656533 ZHUARDDOJLACIX-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@H]1C 1286745386 VHTLXELNVWTSKI-SBUREZEXSA-N 443.523 2.386 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286777311 SCBFJKKYQXYSLN-INIZCTEOSA-N 437.541 2.290 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)cc2OC)CCOC1 1296663409 ICBYPGMAHKPRDT-PGRDOPGGSA-N 427.505 2.024 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(F)c1 1298025077 ASGNZTIFMXQVJT-YSIASYRMSA-N 428.512 2.343 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)C1CCC1 1298283983 WJWCDJTUBOSHEE-IBGZPJMESA-N 435.532 2.044 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300450412 UBSQXMFTZACPDE-QFBILLFUSA-N 431.537 2.358 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300487866 MVCAPWHCYYLTOK-LNLFQRSKSA-N 445.589 2.114 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1300502374 SCMXVOITPPNLDY-IBGZPJMESA-N 427.574 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCOC1 1300509079 FGGURRNNINDHHA-SFHVURJKSA-N 425.920 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(C(N)=O)nc1 1300527976 NCCUFLLWWITIGH-UHFFFAOYSA-N 437.463 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC2(O)CCC2)CC1 1300728893 IXZIBEMXPCWFPC-UHFFFAOYSA-N 435.572 2.334 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1301234768 QECGHZMIHUEANW-QHCPKHFHSA-N 440.548 2.254 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1301401937 HPNPXOCUXHISAF-UYAOXDASSA-N 431.606 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)OC 1301578212 ZPYNCIUTABJPJI-UHFFFAOYSA-N 445.339 2.315 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1301611467 BZYZLDFUCZFMQH-KRWDZBQOSA-N 439.651 2.164 30 10 IEEE CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1303192698 YKFHOFQRQKHTQM-IAGOWNOFSA-N 426.521 2.378 30 10 IEEE COC(=O)C1([C@@]2(O)CCCN(C(=O)CCCOc3ccc(C#N)cc3OC)C2)CCC1 1304139791 WKTMVIRUENOKKI-HSZRJFAPSA-N 430.501 2.423 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1306532403 YDEWNHBTCOASEO-FCHUYYIVSA-N 443.573 2.383 30 10 IEEE CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1309027501 AQCVMGPMKYAZNM-LLVKDONJSA-N 439.328 2.048 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315255436 UULIYEMOIVZMDZ-QIEZACGCSA-N 430.553 2.398 30 10 IEEE COCCn1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)cn1 1316109332 NWKLORNDBXDUPP-IBGZPJMESA-N 430.875 2.327 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCc2cccnc21 1316210222 OFCXBDPLFQGXNQ-NZSAHSFTSA-N 426.521 2.246 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(Cl)cn1 1316536212 DTEDYEBLISEUOM-MRXNPFEDSA-N 429.912 2.487 30 10 IEEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)C1 1325293470 JIJCUVCKEVSMMX-LBPRGKRZSA-N 437.345 2.426 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2CC)c1 1358902180 GWGRNSHQQOWLGG-NRFANRHFSA-N 446.559 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1358992794 XHIWXOPHMGDJBG-NHCUHLMSSA-N 447.539 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1 1359100146 XZBVZIJXWRQDTR-OAGGEKHMSA-N 430.521 2.397 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC=C 1359233015 NVOWEMNWGPZETN-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1359275587 YCSRGOCGHHMAMP-HXUWFJFHSA-N 439.560 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359295462 BUQWWHVZPKNZGD-INIZCTEOSA-N 432.956 2.058 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359300585 GGOQODDXEKXEDO-HLIPFELVSA-N 440.548 2.012 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359342878 GRUGYNMZVVCRSG-YESZJQIVSA-N 427.640 2.018 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OCC 1438910645 ZNLKQHIFLBVGRQ-HNNXBMFYSA-N 426.535 2.400 30 10 IEEE C[C@H]1CS(=O)(=O)CCCN1C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 1439574788 VFIWLAXEBUXUMQ-AWEZNQCLSA-N 431.474 2.021 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(=O)NCCOC)CC[C@H]3C)n[nH]2)c1C 1442313003 HXSLQTWILCAOPM-PBHICJAKSA-N 428.537 2.079 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 1444553256 XZSCNFORIRWZMO-VDGAXYAQSA-N 439.537 2.266 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 1450274604 WTQFMDIJHUVNFX-LBPRGKRZSA-N 429.907 2.312 30 10 IEEE N#C[C@]1(NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCc2ccccc2C1 1459131993 JYYFQRVOEBEMNN-GJZUVCINSA-N 446.551 2.327 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)C1 1465050139 AZNXNOSTBFQSGZ-SFHVURJKSA-N 434.562 2.089 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOc1ccc(Cl)c(F)c1 1468101345 QFJIDOXALSFXCM-LBPRGKRZSA-N 425.869 2.213 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CC1 1471618400 RHPMKVZSKNRJCI-UHFFFAOYSA-N 446.599 2.380 30 10 IEEE C#CCOCCN(C)C(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1472438628 WCFXUSHXWMQPGN-ZDUSSCGKSA-N 427.452 2.119 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(=O)NC1(C#N)CCC1 1473599487 BPJUXCYLPKKUON-UHFFFAOYSA-N 428.537 2.056 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CC1 1503762239 BJKVJHNNGAJGTJ-UHFFFAOYSA-N 432.475 2.451 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1ccccc1 1505083247 WWDGVRPVKWPLOM-ZULIPRJHSA-N 427.505 2.198 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4cccnc4)n3CCCCCCO)CC2)c1 1505319971 PSCPSHBMWJTTMD-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1ccc(F)cc1 1507713280 DFGXTSCFIJNKAB-HSZRJFAPSA-N 440.523 2.273 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCC[C@H]2C)CC1 1507729348 ZQKDRVMZHNTPRD-OAQYLSRUSA-N 436.604 2.311 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1507733064 XGZZXPMQQBRRTR-DVECYGJZSA-N 441.576 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(C)CCCS2)CC1 1507735735 GBCJPSIFQHVMIP-VGOFRKELSA-N 449.621 2.254 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507753052 HXTRMVBUTZAZMG-GOSISDBHSA-N 439.541 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1507799780 SJIIKLPNNQRVPT-JKEDJMADSA-N 438.594 2.165 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507802592 AXYFBKUUVWURIK-OXQOHEQNSA-N 427.509 2.452 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)OC)CC1 1507803844 HIRHSNJUAJKFQI-QRQLOZEOSA-N 436.553 2.373 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507847329 FYYANLRNUIFWGT-KRWDZBQOSA-N 443.504 2.099 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1508093686 WCJZQUCBDRDXNE-FQEVSTJZSA-N 449.559 2.096 30 10 IEEE C=CCSCCn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1508168497 RDJMOXAZEDRZQJ-UHFFFAOYSA-N 435.598 2.346 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1509947499 WCFDDLUZJQXXMP-CZUORRHYSA-N 429.435 2.083 30 10 IEEE CC[C@H](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)OC 1512767874 IENBLFGXIXNEDT-JYJNAYRXSA-N 432.550 2.059 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1517637236 LETVHLWKEZRMOP-VQTJNVASSA-N 439.516 2.402 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1519161833 BGMYJKOAZDIPBV-UHFFFAOYSA-N 446.519 2.187 30 10 IEEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)ccc1F 1538926901 ICTPAJBPGFKAMM-UHFFFAOYSA-N 436.534 2.408 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539216546 UTJWLEFJGLVOJW-QGZVFWFLSA-N 432.521 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(=O)N(C)C)CCCC1 1539251671 MRVYPQMYIINKOD-UHFFFAOYSA-N 447.539 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(C)COCCO1 1539420429 DRIKDGGXSOLDGW-HSZRJFAPSA-N 428.533 2.365 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1539557462 UQQGMPRPGYCTCT-OEMYIYORSA-N 435.594 2.039 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539757894 CIIBRBZZIPGTPH-UHFFFAOYSA-N 439.626 2.464 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1539983247 WPNGMZDWDRDMDI-GOEBONIOSA-N 437.570 2.005 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1540874601 MASCUJAGOVCJQB-UHFFFAOYSA-N 444.543 2.483 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(S(=O)(=O)CC)cnc2O)ccc1OC 1543405802 GFZZFNKDRNBEJM-AWEZNQCLSA-N 433.486 2.200 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1543860769 ONDZGZIDQGZGQE-ZUOKHONESA-N 431.541 2.488 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1 1544253878 MVNQHLZYYVBDLA-QGZVFWFLSA-N 447.532 2.133 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)C1 1547222299 FQXAIGRKIIYZSQ-PMACEKPBSA-N 440.548 2.221 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)COCCO1 1555100030 LPULGQPBKKMTCB-QFIPXVFZSA-N 427.505 2.411 30 10 IEEE COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 1558219178 NXLBTRWPLITKCB-QGZVFWFLSA-N 449.385 2.087 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C1CCOCC1 1561770908 PGJYXEKXBBFILB-CQSZACIVSA-N 434.283 2.082 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 1565345241 HFCXRNOXWYKFAN-DOTOQJQBSA-N 448.365 2.302 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)c1 1566394980 CLGJXFXOKUUTJO-GOSISDBHSA-N 426.494 2.028 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 1570275449 AUWOWSCNOYKNQQ-UHFFFAOYSA-N 435.452 2.053 30 10 IEEE C=CCOc1ccc(CC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1 1584046500 JJDDYLOZNKXNHH-UHFFFAOYSA-N 427.505 2.494 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1587888908 PAWQQZYKNDSAFY-VQTJNVASSA-N 439.560 2.436 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588045903 SZVYDMSILQEHFE-KKSFZXQISA-N 448.976 2.386 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC1CC1 1588099800 ZRQSTHUCEIWQAN-UHFFFAOYSA-N 426.318 2.307 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC(F)(F)CO2)CC1 1588872106 XAMBKVUEIPFYFQ-KRWDZBQOSA-N 447.486 2.045 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2ccnn2C)CC1 1589442756 CXAXZHIXMJRTKT-UHFFFAOYSA-N 448.369 2.427 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589560301 YPPDLNDDNMDUHS-XKGFGPFHSA-N 446.573 2.272 30 10 IEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cnn1CCC#N 1597166680 RQRLEYIGUSFQNZ-UHFFFAOYSA-N 439.900 2.044 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)C1 1607582242 OJNZJRXFEKVYQE-DLBZAZTESA-N 443.552 2.101 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)Nc3ccc(C#N)cc3C3CC3)cnc21 1611323685 IGLFNNKXZNYNKC-UHFFFAOYSA-N 427.262 2.280 30 10 IEEE CCN1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1615869523 GNQJXTVLODVBMQ-KTVWJZFRSA-N 441.580 2.068 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC(=O)NCC(F)(F)F 1617907241 BSJLFCBUDJIVTR-UHFFFAOYSA-N 431.422 2.470 30 10 IEEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)c12 1618022755 YWPDEOGIEKNNLO-UHFFFAOYSA-N 430.436 2.464 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1618049669 ZHVWLSZZPBMWRZ-CZIZESTLSA-N 425.468 2.051 30 10 IEEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 1620178446 GLZUUTCXAQDNTP-INCQDFKNSA-N 439.463 2.495 30 10 IEEE C#CC[C@@]1(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1627529235 UYKWIOYVPMWFHX-QFIPXVFZSA-N 449.573 2.492 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCCc4c3cnn4CCO)C2)C1 1632247552 XETZAVUHZFLHTI-GEXQTFPDSA-N 443.548 2.156 30 10 IEEE COc1cc(CN(C)C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)sn1 1639457648 DQAFDRZGPQHNQF-HNNXBMFYSA-N 436.559 2.264 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)C1 1640222348 XGQDQTIFTZBSRW-HGCBZUSOSA-N 428.533 2.261 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c1=O 1640769228 VRWNYBNTZLYISN-UHFFFAOYSA-N 448.479 2.283 30 10 IEEE C#C[C@@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)C1CCOCC1 1641858560 SAHBDOUCBUFMPJ-QGZVFWFLSA-N 426.517 2.435 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN1C1CCCC1 1642252243 FHRZMQAJJKMPBN-SFHVURJKSA-N 432.590 2.419 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC([C@@H]4COC(=O)N4)CC3)C2)C1 1648093856 KTCKYNUUKGBSHJ-JBLFJGJOSA-N 432.521 2.120 30 10 IEEE C[C@H](NC(=O)CCC(=O)NCc1cncc(C#N)c1)C(=O)c1ccc(Br)cc1 1652274340 PEGCEUSCDWBBEO-ZDUSSCGKSA-N 443.301 2.500 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1653275035 ZAMJSVMTHLQAQX-MSOLQXFVSA-N 435.590 2.385 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)c1 1656732847 SRLJGIKITNUWHK-SFHVURJKSA-N 429.498 2.248 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2)c1 1679938689 CZOIDUXYCYLFDS-GOSISDBHSA-N 436.516 2.081 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)C1 1681228384 YBWGMFHIPULPBW-IPMKNSEASA-N 441.532 2.349 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1689831863 SPHRFCSOLZZAAT-WZONZLPQSA-N 435.532 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N(C)C2CC2)CC1 1690144354 WCURZBYBMLIMGL-SFHVURJKSA-N 435.576 2.097 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1690245113 CVPWQMCXPRRGMU-KSZLIROESA-N 426.583 2.024 30 10 IEEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690350399 IUWIFRWIOSSDSJ-QGZVFWFLSA-N 428.924 2.289 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2occc2C)C1 1690694639 SFWCJIHVCCETQR-GOSISDBHSA-N 439.520 2.181 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1692668819 NUYXAFSEKDIUDN-JKSUJKDBSA-N 429.525 2.123 30 10 IEEE C[C@](O)(CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1692801394 BCDXIBBLARUBIA-VXKWHMMOSA-N 426.496 2.140 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC[C@H]1C 1697676736 LPWZMACNRCDGDA-CJNGLKHVSA-N 436.438 2.356 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC[C@H]1C 1697676737 LPWZMACNRCDGDA-CZUORRHYSA-N 436.438 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CC)C1 1705479741 OHNFGZMTOMJSFM-FUHWJXTLSA-N 443.621 2.346 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC(F)F 1705551491 NVJKQBNNHJXHIH-HNNXBMFYSA-N 443.495 2.328 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705564096 LFAQPLXWSLSZQC-FGTMMUONSA-N 446.548 2.262 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1705565702 JHPOLNVHSDXEKX-ROUUACIJSA-N 431.562 2.090 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Sc1ccccc1 1705582485 BVXXICIAJQGPQP-ROUUACIJSA-N 428.583 2.434 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@](C)=O)CCC1 1705593772 IHFRJELWVHGGJR-HKBQPEDESA-N 438.553 2.480 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2c(C)nn(C)c2C)CC1 1705636733 VOAWLRYKOATCQJ-UHFFFAOYSA-N 449.559 2.116 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCc2ccc(OC)c(OC)c2)CC1 1705638709 UMIBMZVEQDNWGE-UHFFFAOYSA-N 447.543 2.140 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705723057 XHCXLUKZVVQYBC-MRXNPFEDSA-N 442.520 2.103 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705736650 YVTWGMOGLBDYLU-UHFFFAOYSA-N 448.593 2.149 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705748115 CKXRKRWPUWMBPF-CQSZACIVSA-N 426.926 2.338 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1705831882 GIUPJYJTALPROA-UHFFFAOYSA-N 443.596 2.033 30 10 IEEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1)C1CC1 1705851096 UPHNUTYXKHENTG-UHFFFAOYSA-N 441.532 2.366 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705888891 FGBAPMVQMFSQCW-HZPDHXFCSA-N 442.520 2.276 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705932233 QCVPYQMGEBTHKL-INIZCTEOSA-N 448.574 2.217 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCc2nc(C)c(C)s2)n1 1707832581 DBDHKJAEOJQWSB-QGZVFWFLSA-N 426.550 2.185 30 10 IEEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1711129641 GNRDEDVDNQJXEM-LYIZHRMRSA-N 432.500 2.230 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712169749 BRKLDCSDJMKPEQ-FQEVSTJZSA-N 437.523 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1722304020 UACNNLREEXCMCB-INIZCTEOSA-N 432.546 2.148 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1722358703 KYAJXPUMLHVPHF-KRWDZBQOSA-N 435.594 2.013 30 10 IEEE C#CCSCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722464021 SFQDVKQLSIDFLL-JOCHJYFZSA-N 449.621 2.038 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1722497928 IPYGROSKYPPKGS-JOCHJYFZSA-N 441.507 2.270 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1722672151 LANYGTNQCQVOPF-OAHLLOKOSA-N 439.488 2.403 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCS(=O)(=O)C1 1722678430 QPBUWAFRMVPGRL-AWEZNQCLSA-N 425.942 2.067 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OC)C1 1722710527 KJMIWMNVGHOXBB-PGRDOPGGSA-N 429.521 2.163 30 10 IEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722733577 YQCDWOLXMBOSRC-GOSISDBHSA-N 438.532 2.487 30 10 IEEE CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723261328 TYCDVJYVEDSUFZ-QFBILLFUSA-N 439.564 2.293 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1727606093 FZJRTSFOLLFGLZ-GHVJWSGMSA-N 449.559 2.310 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 1727800242 GFFHGLPGIDHYSF-YLJYHZDGSA-N 438.532 2.069 30 10 IEEE COCc1nocc1Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730539650 JREFSUAIYYAAFQ-UHFFFAOYSA-N 436.520 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1740558832 VNUGPRUUUPMJAS-RBBKRZOGSA-N 434.588 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCSC1 1740639179 SODJNXBIQCYNEK-KRWDZBQOSA-N 432.553 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OC)c(OC)c1 1740653743 WYZFBBQAQDBPIT-QGZVFWFLSA-N 441.919 2.411 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1CCN(C(C)=O)CC1 1740686942 PEDXCPHIANFHFU-UHFFFAOYSA-N 427.524 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740749954 IRUHBSIDEMADES-WCIQWLHISA-N 430.597 2.414 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1740795387 UGOMBNNEKSRGTP-IBGZPJMESA-N 430.574 2.377 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1740959696 CRMGTYSKKLJZBT-IAGOWNOFSA-N 430.578 2.029 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741806073 KPTXATGKCJGFGH-YGRDSASPSA-N 448.568 2.327 30 10 IEEE C[C@@H]1C[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CCO1 1742947036 AAEHUXPZKGQTTI-MDZRGWNJSA-N 446.577 2.211 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2ccccc2)nc1 1748772345 MXTUZWHZGFRDRC-MRXNPFEDSA-N 440.529 2.193 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(N(C)C)c2)CC1 1749009094 MRUYFFBVXGTBJA-UHFFFAOYSA-N 431.544 2.353 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1749201049 LLSKGMOPNPYDRI-BWVDKLOVSA-N 436.516 2.333 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1749331397 JEHIZMLDOGQEDS-HSZRJFAPSA-N 427.549 2.431 30 10 IEEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1749512082 RNOMHVROVDPYAH-LSDHQDQOSA-N 429.484 2.498 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1749670168 RWUGVJXHSCSGJE-UHFFFAOYSA-N 441.536 2.404 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749689327 HGRVMLZOMPGDFC-IBGZPJMESA-N 449.559 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](OCCC)CC1 1749730560 IPZUOIQYGNTWKJ-KRWDZBQOSA-N 434.566 2.121 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1750378854 NWVDNNMNPMNEJE-UTKZUKDTSA-N 449.481 2.062 30 10 IEEE CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1750788760 DJSNPTKNBLVHEI-UHFFFAOYSA-N 436.520 2.422 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1760185006 NPTIEUXFVUWMHW-INIZCTEOSA-N 431.587 2.253 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCc1ccc2c(c1)OCCO2 1760193820 RLZMRJCDZGEFTI-UHFFFAOYSA-N 435.528 2.283 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1760206357 XPVRNKNCMJGVOA-DHIUTWEWSA-N 433.556 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1ccn(C)n1 1760208645 HLPGZMIGGBYEBG-UHFFFAOYSA-N 449.946 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nnn(C)n1 1760213607 ITASIYVXJIRFGA-UHFFFAOYSA-N 442.483 2.152 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncc(CC)s2)CC1 1760252427 QHIJYSVIXHQBMQ-UHFFFAOYSA-N 429.594 2.019 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1760272213 CKUQHBQTYYNETH-UHFFFAOYSA-N 431.566 2.032 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760276955 VAGUJDPQBIDICS-MRXNPFEDSA-N 437.928 2.055 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1760295930 WULDINBYHQELOO-WOIUINJBSA-N 433.622 2.293 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760359843 WQRUEQGGBODMQT-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(CCOC)c2)CC1 1760391359 ACLHJFKYMHWFRQ-UHFFFAOYSA-N 441.561 2.317 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1760395960 BYTULYXRALCKCV-UHFFFAOYSA-N 439.564 2.099 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)cc2)CC1 1760397548 WVBXEIXUXIKZKC-OAHLLOKOSA-N 446.577 2.297 30 10 IEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760448210 YCGBBISIMBJEQW-LJQANCHMSA-N 438.532 2.319 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1760512079 COPWXECTZXVRBX-UHFFFAOYSA-N 426.521 2.195 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)C1 1760543552 SYXLUNZTQFXTQI-LSDHHAIUSA-N 436.438 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1760551088 STSLIBNOXASATL-UHFFFAOYSA-N 441.598 2.413 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCc1ccccc1 1761495514 VFEYEPFWCLUMCU-UTKZUKDTSA-N 446.577 2.235 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCc1ccccc1 1762303244 UIYFSBDXUGLZIQ-LJQANCHMSA-N 426.521 2.142 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1OC 1765980407 DLIOZBNQAMQKSP-VXKWHMMOSA-N 442.495 2.273 30 10 IEEE CN(C)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1768498292 FIDXDSHMZJEXJT-IBGZPJMESA-N 442.589 2.425 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770979905 VOIYMCYEPPAVDD-HSZRJFAPSA-N 434.500 2.268 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1C#N 1851417460 YOKDJQIHJNHSGN-WOJBJXKFSA-N 433.512 2.491 30 10 IEEE O=C(c1cc(OCC(F)(F)F)ncn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852083705 QVYFHWAXHDAGBI-UHFFFAOYSA-N 434.318 2.292 30 10 IEEE CCCN1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1852443271 FAHOJTHKLFVJIF-JOCHJYFZSA-N 440.569 2.002 30 10 IEEE C=CCN(Cc1ccc(Br)cc1)C(=O)CCCN1CCS(=O)(=O)CC1 1853408453 CJQXHEGQOUGWFT-UHFFFAOYSA-N 429.380 2.474 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cccc(OC(F)(F)F)c2)C1=O 1854176391 WUIGRZOGQZXPQW-JKSUJKDBSA-N 425.407 2.045 30 10 IEEE COc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)[C@@H]3C)cc2)c1 1854237726 CYENWRWKDPZRRV-HNNXBMFYSA-N 427.482 2.024 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854556812 RZSLAGGWMZMKNT-UHFFFAOYSA-N 446.916 2.200 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccccc3C(F)(F)F)C2)CC1 1857036868 PJANGOQTTCEOKH-CQSZACIVSA-N 443.447 2.259 30 10 IEEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1863538700 ASACNVJNTGXDOE-UHFFFAOYSA-N 433.464 2.487 30 10 IEEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN(CCO)CCO 1870779095 REWPPHBYFLAGNQ-UHFFFAOYSA-N 436.936 2.322 30 10 IEEE C=CCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871470682 SIAMQQOMYKUEKZ-UHFFFAOYSA-N 432.326 2.066 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1O 1874432002 JAVFGJWUBGLRGZ-AUEPDCJTSA-N 442.476 2.372 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc2c(c1)OCCO2 1874500941 HXOHFRRBBPCHDZ-AWQFTUOYSA-N 446.514 2.265 30 10 IEEE Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCC#CCN3CCOCC3)C2)nn1 1889350332 MZVDARMUQXFOFW-NRFANRHFSA-N 433.556 2.120 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](O)c1cc(I)nn1C 1899719286 XWAUGWUZMWFYOH-IAGOWNOFSA-N 427.286 2.419 30 10 IEEE C#CC[C@](C)(CO)CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2025336728 JRNIFGPCEHXUOO-MBSDFSHPSA-N 432.517 2.151 30 10 IEEE N#Cc1cccn(Cc2nc(C3CC3)no2)c1=NC[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 2059611731 YGPUTQDCRRDCJT-HNNXBMFYSA-N 446.515 2.352 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247986681 YSQJHZPECVZMNI-ARFHVFGLSA-N 442.387 2.349 30 10 IEEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248429832 RCFBRUJNMFEOON-NSHDSACASA-N 425.266 2.303 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C 2255614461 JRCAFUJLSHWISY-AWEZNQCLSA-N 436.362 2.093 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NCC(=O)NCc2ccccc2)c1 2255651135 HCWYZQGPFFAPHB-UHFFFAOYSA-N 426.297 2.480 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2255825573 BTPCMRJKXIQZIL-KGLIPLIRSA-N 434.346 2.131 30 10 IEEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2255976572 DYWSTJMIFHYEAG-LBPRGKRZSA-N 436.314 2.040 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CCC[C@@H]12 2267145886 JIBAZCBYEAQOMD-QRQCRPRQSA-N 446.357 2.371 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2267274074 VIDQORHTGWOOBP-QAPCUYQASA-N 445.369 2.406 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 2267498022 QWCBPYVUUUZAMR-QFIPXVFZSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)C1 2267522870 ZEPCLJAEFDPDIJ-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N[C@@H]3CCC=C3B3OC(C)(C)C(C)(C)O3)C2)C1 2268892301 GJZSXQLSJGFSQB-GOSISDBHSA-N 447.385 2.374 30 10 IEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2271681132 UIAXWQPIDININF-UHFFFAOYSA-N 446.353 2.040 30 10 IEEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2287710603 UVXKRGMAMCIRAG-JOCHJYFZSA-N 434.558 2.289 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302961195 VRVOAHOAHULDAS-CVDCTZTESA-N 448.585 2.097 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302969618 LHPDOFQUWPLEEO-QHCPKHFHSA-N 446.569 2.306 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2312861677 UVRHSECFXVTBAA-MZBWOGCUSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](N)C#Cc1cccc(Br)c1 2313858210 DWDIXLGHBLQVKJ-CABCVRRESA-N 431.352 2.066 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2315293057 OUFQUMWBOPYUIK-CQSZACIVSA-N 436.362 2.378 30 10 IEEE COc1[nH]c(=N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2317504401 YRHUBMZIUQHYSS-HALDLXJZSA-N 431.342 2.089 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccccc2O)cc1 2326244341 FCMFNCLUUDNGBO-UHFFFAOYSA-N 441.513 2.464 30 10 IEEE COC(=O)C1(Oc2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)CN(C(=O)OC(C)(C)C)C1 2337048309 RGQDXHVEQJHANL-UHFFFAOYSA-N 448.325 2.231 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2337206129 IRWQMYRDOFLRFS-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N2CC[C@H]1C2 2342844648 YTKFSWZGQWIJLD-ZWKOTPCHSA-N 444.385 2.486 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3F)n2N)cc1 20913774 XITOMFMBTPSWIS-LSHDLFTRSA-N 443.464 2.094 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccncc3)n2)cc1OC 59311011 ILZQCNDADCUULH-SSDVNMTOSA-N 427.490 2.071 30 10 IEEE Cn1cc([C@H](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C(F)(F)F)cn1 447374637 QHSACKAKOODTEP-PBHICJAKSA-N 426.468 2.084 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 460372631 RQQUZQKVGLRFSP-HOTGVXAUSA-N 435.532 2.341 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 461326764 YNCVULFKICHDIO-UHFFFAOYSA-N 442.541 2.092 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 474253938 DYEGZGONBLVUTN-UHFFFAOYSA-N 441.329 2.395 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 485881830 OHADYELGEVBAPY-UHFFFAOYSA-N 431.465 2.024 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(C#N)c(Br)c1 488005918 KGBDZYDUPCLVEQ-KBUPBQIOSA-N 436.262 2.278 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCCC[C@@H]1CC(N)=O)CCCC2 494813653 XVCCAKJLSYJMST-IAGOWNOFSA-N 427.549 2.086 30 10 IEEE C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1 504554551 KRDVAXPVSCVBMY-FOIQADDNSA-N 443.467 2.221 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccc(-n4cccn4)cc3)cc2C1=O 506991140 SOHICQPNYDAVBX-UHFFFAOYSA-N 429.436 2.023 30 10 IEEE C=CCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1C(F)(F)Oc1ccccc1 508905895 BSGHNPJSCDBABI-QGZVFWFLSA-N 433.459 2.420 30 10 IEEE CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1Cl 517090444 NRTLTADHPLBKIJ-UHFFFAOYSA-N 437.884 2.215 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC1 520040476 FHKHPUPPHGOSRM-BNDYYXHWSA-N 427.574 2.121 30 10 IEEE CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)S(=O)(=O)c1ccc(C#N)cc1 535580803 TZMSPYSNMNFOTG-UHFFFAOYSA-N 431.495 2.437 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 549731800 ZFIWSXKBOSMODH-LJQANCHMSA-N 429.496 2.480 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2C[C@@H]2CCCO2)cc1 578208793 ABVRCCHWTWUNDA-FQEVSTJZSA-N 439.516 2.294 30 10 IEEE Cc1nc(=NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)n(-c2ccc(C#N)cc2)[nH]1 610233167 RFUZTTFAIBNARA-CYBMUJFWSA-N 427.461 2.199 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 610355985 GNAWTGQNBBTEQN-INIZCTEOSA-N 427.530 2.059 30 10 IEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCc2ccnc(O)c2C1 685549572 QDOLLFKNSAEQMU-UHFFFAOYSA-N 445.571 2.492 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)Cn2ncc3ccccc32)c(=O)n(-c2ccccc2)n1C 730686920 KMFDPPKADQHODM-GOSISDBHSA-N 428.452 2.182 30 10 IEEE COc1ccccc1NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732707667 ATEVYEWVQQKVID-LJQANCHMSA-N 447.495 2.085 30 10 IEEE COc1ccc(CNC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N 746722976 QBVVDSDUDXBJEB-UHFFFAOYSA-N 442.541 2.467 30 10 IEEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)[C@H]1CCS(=O)(=O)C1 751274408 ASTQUJLKWPZTQH-UXHICEINSA-N 438.549 2.341 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)CC1 753776299 WOYOHAADECFMFB-HNNXBMFYSA-N 427.332 2.446 30 10 IEEE COc1ccc([C@H](CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)NC(C)=O)cc1 757577010 AXBUIUVQJKTJBI-YTQUADARSA-N 430.505 2.138 30 10 IEEE C=C(C)C[C@H](C)C(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 767991820 SZRQOYRUFFCYAV-JTQLQIEISA-N 430.324 2.047 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCn1cc([N+](=O)[O-])cn1 768486622 NGQOGOHIBGLUJP-KRWDZBQOSA-N 442.501 2.400 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)C1=O 771584399 ZZZNANKNBBNVSV-OSPHWJPCSA-N 448.479 2.427 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)CC1 776019700 JLBBNUDXIQQJLK-MRXNPFEDSA-N 425.407 2.248 30 10 IEEE Cc1cc(C(=O)OCC(=O)NCCN2CCc3ccccc32)nn1-c1cccc(C#N)c1 780194907 LFBHJVRZFZNKPU-UHFFFAOYSA-N 429.480 2.388 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(-c2ccc(F)cc2)c1 789968683 ZNRRWRRVERCDAO-CQSZACIVSA-N 440.508 2.488 30 10 IEEE C=CCn1c(-c2cnccn2)nn(CN2CCC(COC)(C(=O)OCC)CC2)c1=S 794705133 UEKQBUGOYHBGHC-UHFFFAOYSA-N 432.550 2.306 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H]2CCCO2)CCN1C1CC1 802679898 QVAAKAYSMZAJIA-RBUKOAKNSA-N 436.516 2.072 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 807171321 QQJMIDUSSZSCPO-QZTJIDSGSA-N 431.489 2.305 30 10 IEEE C#CCC(CC#C)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 807339294 OELHRBHAUQVYOV-UHFFFAOYSA-N 440.359 2.494 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn(C)c2)c1=O 838648565 KYJPVSHXLIECRP-UHFFFAOYSA-N 426.501 2.327 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)cc1 1083895641 NYSWMWYLZUWDQV-UHFFFAOYSA-N 425.474 2.077 30 10 IEEE C#CCO[C@H](C)C(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1124259954 LWNYDOVLLZBRTP-QGZVFWFLSA-N 432.480 2.151 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)c3sccc3CC#N)CC2)c(OC)c1OC 1126729565 STVDUUZICIQVAX-UHFFFAOYSA-N 429.498 2.438 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2c(F)cccc2-n2cccn2)cc1 1128972245 ILFPEZZGWPNDQW-UHFFFAOYSA-N 427.461 2.133 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCSC4(CC(C(=O)OC)C4)C3)cc2C1=O 1134846468 UEOXHLJTEABLOB-HEOKHYPTSA-N 428.510 2.416 30 10 IEEE COC(=O)[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccccn1 1141422445 PUCSIELWYYKVSN-QGZVFWFLSA-N 429.274 2.182 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 1152372432 YWKHXWOSWHEAIB-MOPGFXCFSA-N 447.557 2.212 30 10 IEEE C=CC[C@]1(C(=O)NCc2nnc3ccc(N(C)C)nn23)CCCN1C(=O)OC(C)(C)C 1156828855 UPWNDBQSBLRGHR-OAQYLSRUSA-N 429.525 2.152 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2ccc(COC)o2)s1 1178406282 MOCHNIYZBOHNPZ-MRXNPFEDSA-N 440.543 2.094 30 10 IEEE COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1187028949 FPFNIJYUDWMBAO-CYBMUJFWSA-N 431.308 2.054 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1203384221 FJTHERGKCUBYFD-YOEHRIQHSA-N 425.470 2.324 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N(C)c2cc(C#N)ccn2)cc1 1269436238 DJERQPJZUIXDGA-LJQANCHMSA-N 426.498 2.362 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CCS(C)(=O)=O 1286348447 XAXVXAACTJLUBW-UHFFFAOYSA-N 426.546 2.415 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286387098 NUSUDUKHKKNUOL-XMSQKQJNSA-N 430.574 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCO2 1286418458 CCWZGGRKQMYDMK-UHFFFAOYSA-N 428.452 2.165 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cl)=C(Cl)C1 1286507933 DDUULYDACVEKKB-LBPRGKRZSA-N 435.402 2.446 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1)C1CC1 1286733845 KKCGEXGAFFUBTG-QHCPKHFHSA-N 443.548 2.192 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N(C)C 1286747170 DZXKJMZIUQPSDN-UHFFFAOYSA-N 432.575 2.486 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1286750656 FGWGRDCJDXAMBT-FDFHNCONSA-N 444.624 2.001 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@H]1C 1286780516 XFZWGWOCXUBOBB-GFCCVEGCSA-N 438.301 2.374 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286780558 OPDHQYIOXGULOS-CTNGQTDRSA-N 438.576 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1csc(CC)n1 1286824709 GWFGSPMPTKMGJQ-OAHLLOKOSA-N 425.580 2.386 30 10 IEEE CC(C)(C)NC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1287047920 LSLNBENEWYZDAS-QGZVFWFLSA-N 427.509 2.273 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1288517070 IENRWRSCMODIQJ-UONOGXRCSA-N 443.458 2.355 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCSCC2)n1 1290632367 FDHKQOALEXEEBF-OAQYLSRUSA-N 428.610 2.319 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 1296274740 ZZRXZHUEMZFXIR-KRWDZBQOSA-N 428.514 2.185 30 10 IEEE CCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1297551942 KZSJYZGAMRVHQO-IBGZPJMESA-N 435.529 2.025 30 10 IEEE COc1ccc(CCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1300112952 BJQVIYXDJSVLTN-UHFFFAOYSA-N 443.529 2.066 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1300404041 UPNCYWLEGAZUPW-UHFFFAOYSA-N 433.516 2.454 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1300497783 DIVURCNSJQVSSK-INIZCTEOSA-N 441.479 2.124 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(COC)c1 1300663844 KBGYKNLMQSVGGC-UHFFFAOYSA-N 437.500 2.287 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300763460 PTLNPZUYKPLTNT-OAQYLSRUSA-N 440.617 2.192 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1300797477 CIGGOBYLROGNSB-UXHICEINSA-N 434.949 2.140 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cncn2)nc1 1300925938 MJVPTNNLDNXANZ-ICSRJNTNSA-N 438.536 2.429 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1301578357 YFHVNSLXPDZTIS-QGZVFWFLSA-N 449.552 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2C(C)C)nnc1[C@@]1(OCC)CCOC1 1301596748 XNNZAGRKAMYYRW-YLJYHZDGSA-N 426.583 2.156 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1302565495 BOXLCRFWJGTDER-HFTRVMKXSA-N 426.546 2.195 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1303014184 RBIJXHHJFGTLBU-UHFFFAOYSA-N 439.911 2.277 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3CC2)n1Cc1ccc(C#N)o1 1303844146 DSKFVNCRAGYHFU-OAHLLOKOSA-N 440.529 2.006 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCOCC1 1305466994 NKHCZWUVUITQCK-DLBZAZTESA-N 439.564 2.295 30 10 IEEE C#CCC1(O)CCN(C(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)CC1 1311734865 LACJYEDKBHSPOY-UHFFFAOYSA-N 433.574 2.009 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1313096413 ATCUKWWAQSUVIW-DLBZAZTESA-N 437.537 2.047 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(C)(C)C1 1313348584 MZGWXYFVLPNYFX-KRWDZBQOSA-N 428.537 2.430 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1314832427 FSMKLFWIOVOMMM-QFIPXVFZSA-N 446.559 2.132 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1315693213 BIRQZMWVVWGGOF-MOPGFXCFSA-N 429.546 2.399 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1315739189 AWELORQHCMYKIS-IIDMSEBBSA-N 437.504 2.241 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1315825008 NHZLKMOZVCUATA-AQOAWAETSA-N 445.495 2.097 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CSCCS2)CCO1 1316539797 QIXXMUOPHATJMW-HOTGVXAUSA-N 432.531 2.431 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3nnnc3C)cc2F)cc1 1354105553 YHMGVGYEQFWTHK-UHFFFAOYSA-N 430.465 2.169 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1358876445 JUXOGBBDSMCAHB-SJORKVTESA-N 431.562 2.080 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC=CCO1 1358895095 CLBRDRGPVRUGBI-GGAORHGYSA-N 434.588 2.446 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1359033955 WXZKOCXTGKPACR-UHFFFAOYSA-N 443.555 2.040 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1359055409 CXIDKZMSHWRYQH-QZTJIDSGSA-N 447.511 2.452 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359062438 IEINWURYQVXCEA-NVXWUHKLSA-N 431.566 2.071 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1359063926 HHGNQIUWPRSBQF-PLMTUMEDSA-N 431.562 2.268 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O)C1CC1 1359251805 WLHJJKWGUPJHEZ-QGZVFWFLSA-N 435.594 2.128 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCOCC1 1359258459 RDHDIEVFPCEJJH-UHFFFAOYSA-N 435.532 2.120 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359295835 PBDMYSAFILJSPJ-HNNXBMFYSA-N 446.939 2.070 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1359302008 UBELLOLMINETQX-UHFFFAOYSA-N 441.429 2.204 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359310553 ZDJRYIORQKRVSP-RTBURBONSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359331595 DINNVPUNQIMIPY-IBGZPJMESA-N 448.593 2.331 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359509822 HAPKXKVTNRSABB-SKQREZPOSA-N 442.564 2.497 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cnn(C)c2)C2(CCOCC2)C1 1449897854 SZRSIHMOPMUKIL-MOPGFXCFSA-N 430.549 2.449 30 10 IEEE C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1450566817 ZUMVZMDLZZHFOC-OAHLLOKOSA-N 438.550 2.036 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1451189438 ADHPBTZJQJYLQZ-GFCCVEGCSA-N 429.336 2.000 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1461445239 SWRKEVMRANIXCU-IQMFZBJNSA-N 449.515 2.273 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 1462919342 DBJWCQHSOJEUDZ-LJQANCHMSA-N 431.489 2.393 30 10 IEEE CN(C)CCSc1nc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1 1466735863 FONWWVRTIFSRHL-UKRRQHHQSA-N 439.607 2.215 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1467990930 GKKQNGNHCBNLNA-GOEBONIOSA-N 445.379 2.293 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)ccc1F 1470477340 QKYIRCBHGSISSR-OAHLLOKOSA-N 432.395 2.171 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC3CCCC3)CCO2)cc1 1472149628 XCCCVTQEXLIPRP-LEWJYISDSA-N 440.544 2.179 30 10 IEEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C1=O 1475242619 UOCXRLFHACZQFO-HNNXBMFYSA-N 426.336 2.348 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)OCC 1475629738 WFMDPKUQSIHFAF-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1500565674 ZCKIEDNGKUHJMP-LJQANCHMSA-N 437.548 2.086 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1507539063 QSLWTYWFAQANHM-FUHWJXTLSA-N 438.557 2.087 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507630344 XGMJWEBAJDJYAC-QUCCMNQESA-N 445.589 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H]1CC 1507802228 AIWKLDJWOIDFFD-AVEIZBFRSA-N 425.599 2.494 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1507868496 LBOQSEIUJDLGDH-CQSZACIVSA-N 430.958 2.055 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1508018570 GGTSVMZVJUWUFC-IBGZPJMESA-N 442.589 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCOC2)C1 1508126604 IGNQBTXVYVHXEJ-AUSIDOKSSA-N 428.533 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1508142369 CLEYVLOZLQAKOE-QFIPXVFZSA-N 430.574 2.238 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCOc1ccc(F)cc1 1509693090 HTJGZSLQZUWHSL-SFHVURJKSA-N 430.484 2.143 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCSCCCO 1512365559 IDOMCBDALSTMFA-MRXNPFEDSA-N 444.609 2.068 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1513198218 LCVHFXJEAZDKTD-LSTHTHJFSA-N 439.539 2.384 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1515312385 CPACLCMVYVKCJF-IBGZPJMESA-N 426.521 2.212 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1517262641 LFZREAYJXTZWFD-HNNXBMFYSA-N 439.488 2.255 30 10 IEEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)cs1 1518825801 BNEADXGVLVOZJV-CQSZACIVSA-N 437.529 2.135 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)CC2)c1C#N 1527591618 DXNFGJLKFRUDTO-INIZCTEOSA-N 437.566 2.290 30 10 IEEE Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)C2)c1 1532112752 GCMWYUOVDNYVNC-QGZVFWFLSA-N 436.516 2.226 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 1537718084 XJKZNGOQZZCWHR-WWGRRREGSA-N 425.279 2.018 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CCC)OC)c1 1539043346 OZZAWFQZLDIDTE-RBUKOAKNSA-N 438.532 2.101 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539195355 WDNYVYAHXKRFED-HXUWFJFHSA-N 442.539 2.008 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCC(OC)CC1 1539414815 ZAKIOTBQCWUTKF-FQEVSTJZSA-N 433.597 2.495 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539498653 YCVBVSPPCJZANW-ZWKOTPCHSA-N 444.513 2.443 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1539683549 YKIBPWQHCRXIPR-QFBILLFUSA-N 449.577 2.269 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1539830446 WXIOOMMPLLSIHF-QGZVFWFLSA-N 439.568 2.073 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1540091746 ABHDMMBJVWOVII-BRWVUGGUSA-N 425.599 2.243 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc2c1OCO2 1540189234 MAMXWMCPZYDCSN-UHFFFAOYSA-N 436.472 2.341 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1540863819 GJBKXRBIYFATFR-TZMCWYRMSA-N 437.342 2.342 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)CC1 1540875124 BXELIGCYLPGUNC-UHFFFAOYSA-N 444.561 2.069 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCOCC2)C1 1540887975 HQPWHTPYSDKUHB-SFHVURJKSA-N 425.533 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540900990 PFVXHZSWPUVCBR-SFHVURJKSA-N 427.534 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(C)C)CC1 1540901022 QGMRJCGSVGXSMI-UHFFFAOYSA-N 433.578 2.085 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NS(=O)(=O)CC)cc2)s1 1542099985 MDRYCJWOLONRRT-UHFFFAOYSA-N 443.572 2.155 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1552655509 FSEMSVABESILPK-IBGZPJMESA-N 433.516 2.194 30 10 IEEE COCC1(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555304324 AWJMTQPNPGAKFF-FQEVSTJZSA-N 441.532 2.338 30 10 IEEE C[C@H]1COCCN1CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1565647334 SWFTZMRKKVHFLR-JXFKEZNVSA-N 428.533 2.229 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1570589496 FVNGUCBOIMSEQJ-INIZCTEOSA-N 427.482 2.018 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(Br)cn2)s1 1587551230 FFQMPKXBPNHVQV-UHFFFAOYSA-N 430.349 2.229 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(C)(=O)=O 1587580370 PDHKJXOVBHEMIW-GFCCVEGCSA-N 441.351 2.219 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC[C@H](C)C1 1587970038 LSZYIWLDLMVOGZ-ZWKOTPCHSA-N 443.621 2.428 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccsc1 1587985310 YNOFSSQECALQOT-JOCHJYFZSA-N 437.573 2.491 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H]1C 1587990263 UTCIHWWCZAJJDJ-ZWKOTPCHSA-N 432.569 2.140 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC1(O)CCOCC1 1588482907 XTSICCMILBXLEL-UHFFFAOYSA-N 438.507 2.389 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1588813561 ZECKILCFRBVXHP-HXUWFJFHSA-N 439.560 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCOc2ccc(F)c(F)c2)CC1 1588923557 DNAAKSRLQYIUKV-UHFFFAOYSA-N 429.471 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2nccs2)CC1 1588929557 CUOUDBJTAWQERY-AEFFLSMTSA-N 442.589 2.398 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1593710960 BHGJKSXQMUNGCZ-GOSISDBHSA-N 449.533 2.459 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1593752683 PCZVTYNKDJQBGJ-QUCCMNQESA-N 439.560 2.433 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OCC)Cc3cc(F)ccc32)cc1 1593820891 UPWDNGHXFADEAY-KRWDZBQOSA-N 444.484 2.119 30 10 IEEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705315 QPWNYNCUICXAEQ-ZHRRBRCNSA-N 440.862 2.401 30 10 IEEE C#CCN(C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C1CCN(C)CC1 1611145309 KJYGQIIHCNDQJW-UHFFFAOYSA-N 445.361 2.076 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cccc(Cn3ccnn3)c2)c(=O)c1C#N 1611231197 MARHVCNYNOCGKX-UHFFFAOYSA-N 427.262 2.123 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1612836974 HCBIBVCQRRJOSM-SJORKVTESA-N 431.562 2.360 30 10 IEEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCC(F)F)CCO2 1613032783 UYWTXNWUBRMDJT-YCRPNKLZSA-N 433.459 2.483 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCc3ncn(C)n3)C[C@H]1C)C2=O 1615245458 RSWDZPHGFYGBEZ-CFMSYZGJSA-N 432.864 2.082 30 10 IEEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1=O 1618456149 LDZQQVNDYSVXGA-HNAYVOBHSA-N 434.422 2.063 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCOCC3)CC2)c1 1619123095 CTSUZVOJFXBFDQ-QGZVFWFLSA-N 440.548 2.423 30 10 IEEE COc1ccccc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1619427878 GEKDPMQJCRGRAD-SFHVURJKSA-N 429.546 2.171 30 10 IEEE COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C#N 1624699328 AAMKWISHKGQRMZ-UHFFFAOYSA-N 435.889 2.493 30 10 IEEE Cn1nccc1[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1628138508 YFNCBTPJSATTKX-YYTGVUGMSA-N 429.521 2.107 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 1628680514 LIGDKXACRFUMCZ-UHFFFAOYSA-N 436.574 2.456 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C)c2-c2cccc(Br)c2)C1=O 1630812272 DVUVHBCABSXREA-UHFFFAOYSA-N 446.261 2.063 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCCN2CCOCC2)c1 1631211073 CITZGSILEOEGNO-OAQYLSRUSA-N 445.560 2.321 30 10 IEEE C=CCc1cc(CNC(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)cc(OC)c1OC 1631479643 JZWNWFOIIIKZHV-UHFFFAOYSA-N 445.520 2.479 30 10 IEEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1633660319 VPLINOPWUGMEBE-VEVIJQCQSA-N 443.356 2.152 30 10 IEEE COc1ccc(C2=NO[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1 1633760065 PTWDPRSASLCSPQ-HNNXBMFYSA-N 431.445 2.055 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 1640516211 FEOLLRGKLVLCPF-OAHLLOKOSA-N 427.498 2.321 30 10 IEEE C[C@@H](CC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1643497776 WGLAILKEHAVVBD-HNNXBMFYSA-N 449.573 2.474 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CCO2)cc1 1647997911 GPJUCTGOLXAYNF-BHIFYINESA-N 435.480 2.230 30 10 IEEE N#Cc1ccsc1N1CC[C@H](N2CCC(C(=O)NCCCN3CCCCC3)CC2)C1=O 1649399375 PRFTUDZJQXKSKD-FQEVSTJZSA-N 443.617 2.429 30 10 IEEE CCCCn1c(N)c(N(CC)C(=O)CN(C)[C@H](C)c2cccc(C#N)c2)c(O)nc1=O 1654808557 BHMDVBMSAUYUET-OAHLLOKOSA-N 426.521 2.249 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1c1ccc(Br)cc1 1659087664 GTEVHBUGENGKKS-ZWKOTPCHSA-N 447.333 2.293 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1F 1661684090 CWFKISCROHVTGF-UHFFFAOYSA-N 431.493 2.396 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)C1CCOCC1 1687127018 ZVGUPEYSRDCHRA-NRFANRHFSA-N 447.601 2.428 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCOC[C@@H]1C 1690004742 DXYULBWPNDGEPH-IBGZPJMESA-N 429.528 2.129 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690169399 ABCUIBYATJGQAF-INIZCTEOSA-N 426.550 2.196 30 10 IEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1690180316 CGPYQDYTQPLIMN-UHFFFAOYSA-N 437.573 2.178 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1690206320 NLBSFNREEAJZLU-GRDNDAEWSA-N 434.484 2.140 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 1690442019 KWIOLPGVBWEWPQ-YADARESESA-N 436.560 2.493 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690683878 YGVIQTBSTSGOFR-ROUUACIJSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(COC)CCOCC2)C1 1690710954 ZHVTTZWRLVIJBD-HXUWFJFHSA-N 427.549 2.488 30 10 IEEE CCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)cs1 1694604438 AZJDBSGLXIYAGP-UHFFFAOYSA-N 428.543 2.119 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCOCC2)cc(OC)c1OC 1697255906 DMXSPXSACRRFPX-KRWDZBQOSA-N 443.504 2.126 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@](F)(C#N)C1 1698303950 CHYXLGLNWWWUSY-HXUWFJFHSA-N 444.492 2.477 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705515867 OVBGKVWSPQNYNX-DMPWYTOCSA-N 428.537 2.136 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705569183 DJRUNHGQGGEUNH-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705578917 MCVRBIKHMPXIDG-QFIPXVFZSA-N 426.524 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccccc1CN1CCC(O)CC1 1705602521 YERYZBJSXXYMML-UHFFFAOYSA-N 435.572 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](OC)C2CC2)CC1 1705649872 GWPKZRAFBNMLHS-JOCHJYFZSA-N 435.572 2.454 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1705834486 LPKFAFMGLQCDHU-INIZCTEOSA-N 443.577 2.361 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCNS(C)(=O)=O 1705892696 ARQBNPGAGLIWQW-UHFFFAOYSA-N 434.349 2.335 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705944354 CUNDFRUMEUOOER-OAQYLSRUSA-N 441.561 2.074 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC3(C2)OCCO3)CCOC1 1706068847 RRUHDNKAUICPMT-DBXWQHBBSA-N 433.553 2.458 30 10 IEEE CC(C)(C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706104032 OCZYRDNJRVSXSS-OZNQOIHVSA-N 442.564 2.233 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)CC2)C1 1709763169 BIECFQVBHNCPMI-IBGZPJMESA-N 437.548 2.437 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCOCC1 1711982734 PZYALDCQBUGWCK-HXUWFJFHSA-N 441.532 2.192 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712885841 ZWQDDWPOUYKKTL-GRNWLOBZSA-N 439.520 2.176 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722365885 FQXBVTUQDSLTQX-OAHLLOKOSA-N 437.616 2.421 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1Cl 1722396004 FGNMCWXNKZITQE-OAHLLOKOSA-N 434.924 2.484 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1722417977 ZXZPFZHGTZYJLY-HYFFOGBASA-N 435.569 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(OC)nc2OC)CC1 1722436000 YGCNWWVCWMMVBH-UHFFFAOYSA-N 436.491 2.300 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1722436773 FKGNSFRDXFPYEE-VGOFRKELSA-N 429.952 2.098 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722465622 QAJGTGDNSZOWDT-INIZCTEOSA-N 431.537 2.420 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722536188 LELHGKGFSBIWJO-JOCHJYFZSA-N 429.496 2.448 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)CC1 1722581259 ISGIEDZIDHNXBO-HZPDHXFCSA-N 428.649 2.431 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C)C1=O 1722659298 SALFMRSGSMITCJ-HSZRJFAPSA-N 440.523 2.324 30 10 IEEE C=CCOc1ccccc1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1722707845 AIXIFSFLFLUFRR-MRXNPFEDSA-N 428.518 2.270 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1723777898 LIILFPFEENBLPX-SFHVURJKSA-N 437.548 2.024 30 10 IEEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOCC(F)F)CCN2C1=O 1729593746 BQHKRPXIXKIBJE-QGZVFWFLSA-N 445.474 2.045 30 10 IEEE COc1cccc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1730240691 CGYJICSMHHUAAQ-NZQKXSOJSA-N 441.532 2.299 30 10 IEEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1730486814 NFVHBEJWZVERDD-IVZQSRNASA-N 439.495 2.307 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740620246 CNNPRFRXPQGTJG-FXAWDEMLSA-N 445.564 2.051 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCC1(O)CCOCC1 1740658197 FHVXXDJJFXEOTR-UHFFFAOYSA-N 438.528 2.260 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1 1740699901 XVOYTLUJTXIDLG-UHFFFAOYSA-N 447.587 2.358 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCNS(C)(=O)=O 1740755248 JFGJKAUOBUDHJC-VQTJNVASSA-N 447.605 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740761328 MYWAYDFUKLXCJO-NEWSRXKRSA-N 437.610 2.292 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740793422 ISXSWGQISLYCJM-IBGZPJMESA-N 433.578 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCS(=O)(=O)CC 1740954390 KZILSTRFBBDLCO-UHFFFAOYSA-N 447.605 2.416 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1740960633 WOSHAYLWWSAICV-INIZCTEOSA-N 426.477 2.161 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1741571488 FJJLHGRMUXLWGZ-KNQAVFIVSA-N 426.569 2.165 30 10 IEEE CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1745919588 LDJXJYHPIJCROU-HNENSFHCSA-N 430.896 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1748672671 WNYIQVCHORGZPM-AUSJPIAWSA-N 436.965 2.199 30 10 IEEE COc1ccc(COCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 1748838575 UJTCFRPCHLXUOA-FUHWJXTLSA-N 447.561 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1748875718 WAVLECNFQQDGQB-GOSISDBHSA-N 442.564 2.138 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@@H]2C)CC1 1748983155 KKFZBEJTBDOMOF-KRWDZBQOSA-N 446.958 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC2CCCC2)CC1 1749014785 OFGFMLXRACEJGW-IBGZPJMESA-N 429.565 2.097 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1749579256 KWEFBKNCDWHYMF-UHFFFAOYSA-N 436.560 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(CC)Cc1cnn(C)c1 1749730023 XHSQTLOSVILIRD-UHFFFAOYSA-N 432.525 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H](C)C1 1749741047 NUZJUYMDHDNICS-BDXSIMOUSA-N 426.583 2.085 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760155933 OYXNSBQIDFPAJP-JOCHJYFZSA-N 428.558 2.306 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1760185089 PILBJSOQRZLBDO-SFHVURJKSA-N 428.558 2.185 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)C(C)C)CC1 1760252807 WGXYKGFQDPLJJN-XMMPIXPASA-N 438.576 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCC)CC1 1760271996 UZKLEKZURZDEDT-UHFFFAOYSA-N 434.544 2.353 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760351258 FOQDNTWOLKMTAQ-FGTMMUONSA-N 426.521 2.379 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC)CC1 1760405410 SUJVTQVHLROEII-UHFFFAOYSA-N 437.591 2.107 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1760416126 VHSZPNNGPWFPII-HSZRJFAPSA-N 442.564 2.189 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1760492347 PLEYLFURDDDWFA-UHFFFAOYSA-N 440.367 2.435 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(Cl)cn2)C1 1760548143 ZDHFEJDVTONABE-JQHSSLGASA-N 436.944 2.334 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nnc(C)s2)C1 1760549951 PDRNYDLSEPHFME-AWEZNQCLSA-N 445.574 2.259 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1760648499 CJYHCGCXIZHFJW-QHCPKHFHSA-N 434.500 2.422 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)n1 1761940860 DBMAIOPNLCMHPX-XMSQKQJNSA-N 427.528 2.327 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccncc2)n1CC(F)(F)F 1763043300 BZYVLNIGXCGVSB-AWEZNQCLSA-N 443.437 2.203 30 10 IEEE C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CC(=O)N1C 1763142666 MPCICXILOBYXRF-ZDUSSCGKSA-N 426.427 2.327 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CCCC1 1768237485 GZDIJEYGSQLABG-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1770197550 VTWIXCGYPYAMJT-SCTDSRPQSA-N 430.553 2.047 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3nc(C4CC4)ccc3C#N)cc2)CC1 1852586567 PNUQPEUQNYEGTO-UHFFFAOYSA-N 425.514 2.019 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ncccn1 1854533497 WEFMGHCDPRXGES-INIZCTEOSA-N 426.498 2.325 30 10 IEEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1=O)CC2 1855100789 QNKZEWMGGFSIPT-CRAIPNDOSA-N 449.960 2.257 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc3scnc3c2)C1)[C@H]1CCN(C)C1=O 1857055287 BPHZLKLKZQBGEO-QAPCUYQASA-N 426.542 2.394 30 10 IEEE COc1ccc(CN2C(=O)c3ccc(C(=O)N(CCC#N)[C@H](C)C(=O)O)cc3C2=O)cc1 1866303875 OLNZQGSNYRCOOM-CQSZACIVSA-N 435.436 2.320 30 10 IEEE COc1ccc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OC 1874340322 HWDDMJFNYQFPMA-BFTVFPACSA-N 447.561 2.376 30 10 IEEE CC1(C)OB(C2[C@H]3CN(S(=O)(=O)N4CC(OCc5ccccc5)C4)C[C@H]23)OC1(C)C 1999983365 LRZAXFMTLHKOGZ-ROUUACIJSA-N 434.367 2.156 30 10 IEEE Cn1ncc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1I 1999999148 PMJJEMGDHVXAOC-UHFFFAOYSA-N 431.083 2.379 30 10 IEEE Cn1cc(C#N)c(=NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2060787629 JHZDKCKYRHKZBR-QHCPKHFHSA-N 439.516 2.496 30 10 IEEE C[C@H](C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CC(NC(=O)OC(C)(C)C)C1 2068019978 BHPIENPOIXSZJE-KBMXLJTQSA-N 435.374 2.134 30 10 IEEE CC1(C)OB(c2cnc(N3CCC[C@H](S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2172773519 CIYOEXNUNMUNKA-ZDUSSCGKSA-N 445.188 2.157 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N1C[C@H]2CCO[C@]2(C#N)C1)Cc1ccccc1 2216012111 OZEQZZMMSIVXRG-AUSIDOKSSA-N 428.533 2.154 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2224072087 GLGOXPNEPVFNFJ-NVXWUHKLSA-N 433.358 2.144 30 10 IEEE C[C@H](CCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243390220 QTODNHOQKXYHEC-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255595060 GPQRGXKPJAYARV-UONOGXRCSA-N 434.346 2.084 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2255697815 DOYGPFWPPGAQFH-GOEBONIOSA-N 433.358 2.357 30 10 IEEE C[C@H](CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255833218 ZKOMUPMIOHWMEH-QGZVFWFLSA-N 426.370 2.360 30 10 IEEE C[C@H](COCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2256634790 BCCZVGTUMGIRSD-CQSZACIVSA-N 435.330 2.249 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)s2)OC1(C)C 2256870585 WFTMICFBHLQYIC-UHFFFAOYSA-N 444.362 2.364 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267147948 YBJKBGTYDHZBKN-CABCVRRESA-N 448.373 2.203 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC2(NC(=O)OC(C)(C)C)CC2)n1 2267155525 VHRFPXGIVJASBU-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267168062 OXAOAXRBQIYJKR-GASCZTMLSA-N 446.357 2.246 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)COCc2ccccc2)n1 2267188411 LUQOOHNEXKUSIK-LJQANCHMSA-N 440.349 2.339 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267270122 JLNYGLMSNRYWIU-YJBOKZPZSA-N 443.353 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H]2C[C@H]21 2267494396 DVCUJIUBDXPIIH-HZPDHXFCSA-N 447.316 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267505379 HNNDYJLOHBFLKQ-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2267505396 HWMSNWLNMBLGQD-UHFFFAOYSA-N 444.259 2.418 30 10 IEEE Cc1c(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525226 BHKZMOGKYGRAET-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2312861037 NUUDTMKZZYXFGF-QRTARXTBSA-N 431.342 2.299 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315538474 JKFGRMGGTWERSA-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE O=c1c(Br)c(NN=Cc2ccc(Cl)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659792 MGMRJYWDIFAQKZ-GFCCVEGCSA-N 445.726 2.465 30 10 IEEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1O 2327892857 SUMPPAQZIVOFHN-HNNXBMFYSA-N 447.561 2.463 30 10 IEEE COc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 2327901899 JZYQVRZURLRYAO-HNNXBMFYSA-N 447.561 2.376 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccncc1 2330792504 TYUIUTVACXDHNH-HNNXBMFYSA-N 437.529 2.161 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263279 XLPGVCIHLKEBTQ-XQLPTFJDSA-N 446.357 2.131 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCCN1C(=O)OC(C)(C)C 2337292659 SMLXSBCNEUALSS-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)cc2C1=O 9702371 WHUAJKFFRWYRQD-SUMWQHHRSA-N 427.457 2.030 30 10 IEEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)cc1 20527616 HOBLTAMCLFHVBT-ZMOGYAJESA-N 438.561 2.221 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 46915844 MJSFAYUWZWNARB-UHFFFAOYSA-N 439.537 2.028 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)cn1 59832361 GVHFUQRNJDGHPY-UFFVCSGVSA-N 445.597 2.151 30 10 IEEE C=CCN1C(=O)CSc2cnn(CC(=O)Nc3ccc(Br)cc3)c(=O)c21 65132954 VZUKXRUNVOLHNM-UHFFFAOYSA-N 435.303 2.269 30 10 IEEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2 72133211 HXKYOPGLNFUGRW-NRFANRHFSA-N 440.540 2.283 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)CC1 108939542 HWCIWQSWVQZWBN-UHFFFAOYSA-N 429.484 2.141 30 10 IEEE COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3C#N)C[C@@H]12 169681815 CPMLUEKTCKHYHM-UGKGYDQZSA-N 435.484 2.097 30 10 IEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nc2c1 248017575 LJKDZRJQFCVJPC-UHFFFAOYSA-N 438.509 2.010 30 10 IEEE COCCC/N=C(/NN)Nc1ccc(I)cc1Br 385431065 MRPOSLLZDCACRC-UHFFFAOYSA-N 427.084 2.321 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)[C@H](C)C1 440572179 QQYSSFBXIOMSCM-QGZVFWFLSA-N 434.496 2.463 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccccc3OC(F)(F)F)n2)cc1 490777341 PWFWMZVRAJHYJF-UHFFFAOYSA-N 444.373 2.352 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCC#N)Cc2ccccn2)C1 505187276 JGXDOUKTNHWRFL-QGZVFWFLSA-N 431.518 2.030 30 10 IEEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(c2ccccc2)C1=O 505522464 USUZGFLQFLMOBT-VQTJNVASSA-N 445.479 2.027 30 10 IEEE CS(=O)(=O)Nc1cccc2c1CCN(S(=O)(=O)c1ccc(Cl)c(C#N)c1)C2 520415328 SWQBWAVTAVEFDW-UHFFFAOYSA-N 425.919 2.330 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 523257647 DRTYRZFRYUVLCT-CRAIPNDOSA-N 426.538 2.216 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 536489153 QTSCOHJUTDUHSA-KRWDZBQOSA-N 439.331 2.377 30 10 IEEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 549671985 BDTXMDUFQDFEBP-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H]2CCOC2)cc1 559178538 USNYUXGRTMTEGG-IBGZPJMESA-N 440.511 2.447 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1-c1cccc(C)c1 570261939 KMNWAEBXBDHHAH-UHFFFAOYSA-N 446.557 2.375 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)c1 604881771 AERYBSDVFNJAMK-UHFFFAOYSA-N 439.556 2.496 30 10 IEEE C=CCC1(O)CN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 720902760 VEZPZVWGQWROII-UHFFFAOYSA-N 426.130 2.105 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)F)cc1 733200684 HLICFXJTOTUJQA-INIZCTEOSA-N 438.500 2.311 30 10 IEEE C#CCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C)[C@H]1CCS(=O)(=O)C1 751274630 ZPPLFKKXJHWQKV-KRWDZBQOSA-N 436.489 2.058 30 10 IEEE COC(=O)C1=C(C(=O)c2ccncc2)[C@H](c2cnc(-c3ccccn3)s2)NC(=S)N1 753385343 UCFXHFCTTUDCCC-HNNXBMFYSA-N 437.506 2.429 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CCCCC1 768032009 UUDZFLLVPPIDEF-UHFFFAOYSA-N 431.514 2.454 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2CC2CC2)C1=O)NC1CC1 769742825 PCLSDXNERSJATP-INIZCTEOSA-N 443.508 2.023 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 771172291 SAKFHHAJCSLATC-IBGZPJMESA-N 442.479 2.080 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 772300124 NJBQPGYUTJRULS-UHFFFAOYSA-N 430.464 2.417 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(N2CCOCC2)c(F)c1 787061049 ULLDQFMGUBQZIA-KRWDZBQOSA-N 426.404 2.209 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790870027 SWQIPEXAHVZZBX-ZWNOBZJWSA-N 449.476 2.330 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)ncc1C#N 1124793589 IWKXGQKVPBGMPB-UHFFFAOYSA-N 438.431 2.427 30 10 IEEE CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1125790756 FZRNVPHHKKCBAW-WMLDXEAASA-N 434.949 2.334 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)cc1 1136113050 GHZQKNBAHXOQSK-UHFFFAOYSA-N 447.463 2.386 30 10 IEEE N#Cc1c(CCCNC(=O)Cc2ccn(CC(F)(F)F)n2)nn(-c2ccccc2)c1N 1136183121 RNIVHVOFWNIRIH-UHFFFAOYSA-N 431.422 2.376 30 10 IEEE C=CC1(CC(=O)N2CCC(NS(=O)(=O)CCC)CC2)CN(C(=O)OC(C)(C)C)C1 1141571846 LPMBEHXJMRRLIJ-UHFFFAOYSA-N 429.583 2.120 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@H](c2ccccc2)C1 1142264650 VTRGTDSCBULFJR-PMACEKPBSA-N 440.569 2.457 30 10 IEEE C#C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 1143126331 ALSKYRLDVWBNEP-LJQANCHMSA-N 428.510 2.397 30 10 IEEE C=C[C@H](C)ONC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1144582319 HCPRZOPFBRUYIG-SMDDNHRTSA-N 437.381 2.471 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCC[C@H](C(=O)OCC)C1 1165347085 YQTLVTGRGVATMP-SFHVURJKSA-N 449.621 2.386 30 10 IEEE CN(C)c1cc(C#N)cc(C(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)c1 1165425568 HVBQRHUBDTZQEC-GOSISDBHSA-N 440.544 2.419 30 10 IEEE CCN(C(=O)c1ccc(C#N)cn1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1166957901 OGUFGAXVHGONKF-MRXNPFEDSA-N 429.521 2.273 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1167170086 LYBBCDCMJXTXPA-RDJZCZTQSA-N 435.546 2.237 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 1181061952 DUNSTWZAESCLOQ-KRWDZBQOSA-N 449.573 2.365 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ncc(C#N)cc1Br 1186740280 VVUASZVBPGLGCB-UHFFFAOYSA-N 440.279 2.039 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1224762503 LMNNKJMOEDZZIT-OLZOCXBDSA-N 443.488 2.074 30 10 IEEE CSc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)cc1C#N 1248681089 BLGXRYYMJPGEMQ-FQEVSTJZSA-N 439.585 2.368 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286390112 XHSURISCFQLWHV-GOSISDBHSA-N 439.541 2.287 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1286393228 QBVYTDLXSLPOSP-IBGZPJMESA-N 433.622 2.122 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)COCC2)[C@H]1CCS(=O)(=O)C1 1286393959 MSYKJCJTWNKGNN-NRFANRHFSA-N 442.585 2.224 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286397737 UJMZSHDWSWONRF-LJQANCHMSA-N 441.557 2.402 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1286399155 ZWWBUFUKACBUHO-ZWKOTPCHSA-N 443.573 2.129 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Br)cs1 1286464827 FNGXJUVGPGOVSH-AWEZNQCLSA-N 438.351 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1286823005 QOHSSDUIOYGBDM-OAQYLSRUSA-N 434.537 2.068 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1 1289828463 OZHOAUPGFBEQLF-LJQANCHMSA-N 426.521 2.057 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H](C(F)(F)F)O1 1291217579 DVVXVFHQRKAIPE-GUYCJALGSA-N 448.449 2.499 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)cc1 1299927062 CFQPHKYDBHTPEV-UHFFFAOYSA-N 428.514 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC(C)C 1300305235 SVBYVEHKCZVCMO-INIZCTEOSA-N 442.545 2.386 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1300497074 XEFIDNDVMAEQHF-SFTDATJTSA-N 440.569 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCn1cncn1 1300657686 PREBXALTWHDFJV-UHFFFAOYSA-N 430.310 2.085 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCn1cc(Cl)cn1 1300671588 LKGXXGVSPHDOQK-IBGZPJMESA-N 442.907 2.427 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2CN2CCOCC2)CC1 1300683684 RIDGXNAISGZOGD-OAQYLSRUSA-N 436.604 2.427 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC[C@H]1C 1300836946 BADNFPAIPVTPBE-OXQOHEQNSA-N 438.532 2.116 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1300974747 NSYKAVVHLBTATC-SFHVURJKSA-N 441.532 2.366 30 10 IEEE C=C(Cl)Cn1c(CC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1301044833 MUBZTRUUZZQBDI-ZIAGYGMSSA-N 427.933 2.343 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCS2)CC1 1301086702 NISJRDNFHPLFLS-VQIMIIECSA-N 441.623 2.053 30 10 IEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1301149800 GLISDEOCRAOUAX-OAHLLOKOSA-N 445.593 2.152 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCC(F)(F)CC1 1301291540 QNICGHADWWJNEP-HNNXBMFYSA-N 443.516 2.196 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301492517 JNYNORDQGOXISO-APWZRJJASA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301507908 BADHGEMXJXNPPK-UHFFFAOYSA-N 438.580 2.046 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)CC1 1308092200 FZKIGZHILVOYNG-SFHVURJKSA-N 444.551 2.107 30 10 IEEE CCCN([C@H](COC)C(=O)OCC)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309400113 AVXMWBUZVXLHKJ-OAHLLOKOSA-N 433.324 2.300 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1314622124 TVNCECAPGWJNRW-QGZVFWFLSA-N 441.561 2.086 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1315066051 YVQLJSVILYZFRB-GOSISDBHSA-N 446.577 2.150 30 10 IEEE COC[C@H]1CCCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315877072 BWTHTLXBUBVKQK-YGCDDZCOSA-N 439.520 2.053 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)C1 1325257075 XULIDKAMZUNVTI-HNNXBMFYSA-N 433.530 2.388 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1359000735 DBHFAYPRYRTFPE-JPYJTQIMSA-N 427.549 2.343 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359225445 ZBIZYSVVMNYSGQ-UHFFFAOYSA-N 441.580 2.000 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccn(C)n1 1359254329 NATAKROBYUQGJE-HXUWFJFHSA-N 435.532 2.407 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)(F)F 1359276384 BBODCPKVBZYSNV-UHFFFAOYSA-N 437.426 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1359293970 GJXZEVLCQMBQAG-JOCHJYFZSA-N 429.521 2.270 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1360470647 SMNZTVTUVACIPP-AEGPPILISA-N 437.342 2.324 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1436664672 QGTSFAHYFBZZEH-DLBZAZTESA-N 439.553 2.496 30 10 IEEE C=CCC[C@@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1449695439 MVXYYUCJYPHBMJ-MRXNPFEDSA-N 435.525 2.478 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)[C@H]1c1ccnn1C 1458506457 OTWIGOUNXPFLCE-XWIAVFTESA-N 436.299 2.396 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)Nc3ccccc3C(=O)N3CCC[C@H](O)C3)cc2)c1N 1471760974 APVMVGSHLGIGAG-SFHVURJKSA-N 430.468 2.175 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N1CCN(CC)CC1 1507522587 DXBAZBDPXFCGSG-MOPGFXCFSA-N 440.592 2.446 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1507589898 ABHUWRSSZZHGDT-IRXDYDNUSA-N 430.553 2.118 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](CC(C)C)NC(=O)OCC 1507611978 QQLHKPGQFPTQHM-HNNXBMFYSA-N 430.509 2.236 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507711462 CNJKKZHYFLLSKQ-NFBKMPQASA-N 425.533 2.078 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccccc2F)CC1 1507718949 ILZPGVQJHBEFKA-HSZRJFAPSA-N 427.524 2.067 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2nccc(C(F)(F)F)n2)CC1 1507734169 SNHMVKUXVHGNMY-UHFFFAOYSA-N 449.481 2.419 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](C)C1 1507821376 ZUEGLLGLLIOJBC-BZSNNMDCSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1507945360 FYUUGMFDAVUJMS-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1507972771 ZDLDARDCRZFZJM-OAQYLSRUSA-N 438.576 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1508075005 ODFWNKXILYQBBX-YOEHRIQHSA-N 430.896 2.102 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)OC(C)(C)O2 1510147186 ACJUBYMBGTUSDM-KGLIPLIRSA-N 448.549 2.182 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCOCc2ccccc2)CCO1 1521138105 YIZLZCLDLWSVSD-FQEVSTJZSA-N 438.532 2.126 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)cc1 1526517220 GGCXGKIWAXSWBQ-UHFFFAOYSA-N 425.470 2.120 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539221538 PMVONBMBBZGAPK-SFTDATJTSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCO[C@H]1C 1539251034 XCZDFRDCMPEWBV-VBKZILBWSA-N 447.308 2.459 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539263180 AHRWOQGZRZXTAO-NHCUHLMSSA-N 437.544 2.220 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COCc1ccccc1 1539370633 YNEUCVFRGMDVHH-ICSRJNTNSA-N 430.574 2.493 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCc2nc(C)no2)CC1 1539461925 MYXLBSBRHJGZCR-UHFFFAOYSA-N 439.495 2.076 30 10 IEEE C#CC[C@]1(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CCCN1C(=O)OC(C)(C)C 1540132020 UUWJAKNIIGIMFM-HSZRJFAPSA-N 440.500 2.470 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 1540875353 IYEJQOWVEIOJNP-SFHVURJKSA-N 439.495 2.373 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1540908892 QORZYLOAPZGTEA-DOTOQJQBSA-N 440.591 2.443 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)F)C1 1541223394 SLOHETQUPPWWQE-XQQFMLRXSA-N 430.431 2.340 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2F)CC1 1541699014 GFDWLZNAVGEKKM-UHFFFAOYSA-N 448.506 2.202 30 10 IEEE C[C@@H](OCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1541987810 GEZWNONIDZSACK-UYAOXDASSA-N 438.532 2.297 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1554164918 BSKNBBIQXUARMS-MOPGFXCFSA-N 429.546 2.115 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)CCO1 1554441550 GYYQRLFKSRERDS-IFXJQAMLSA-N 449.515 2.177 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1554972388 FHFFIXKAOLLBTM-QGZVFWFLSA-N 445.545 2.040 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1555328739 ZQHDBUNYGUKNJQ-UHFFFAOYSA-N 437.504 2.350 30 10 IEEE COCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555472200 RKRMOOWPYUYOLW-LJQANCHMSA-N 442.568 2.187 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cn2ccccc2n1 1555637942 YUXNIWXTDQCQPD-KKSFZXQISA-N 427.484 2.334 30 10 IEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1555868299 BHPJGAAERFAJPM-MRXNPFEDSA-N 426.546 2.326 30 10 IEEE C#CC[C@H](NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)C(=O)OC 1556970837 JUZBXJVCIPRBTF-NSHDSACASA-N 445.195 2.343 30 10 IEEE C[C@]1(C#N)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)C1 1557619819 IZRMZWOCTJWPEC-HXUWFJFHSA-N 425.470 2.445 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CN2C(=O)C(F)(F)Oc3ccccc32)CC1 1557977411 FDYUDNFQFXDLNR-UHFFFAOYSA-N 430.386 2.364 30 10 IEEE CC(C)(CC#N)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1564902772 RNUUELFLRQPXOF-CQSZACIVSA-N 440.285 2.414 30 10 IEEE CC(=O)Nc1cccc2c1CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1587201937 VDWAELFHBGEKHK-UHFFFAOYSA-N 440.525 2.049 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588040735 PTBIAHIRTLRHFG-KRWDZBQOSA-N 436.965 2.386 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588059495 OWQZVRFXSSZWTP-HMXCVIKNSA-N 442.585 2.229 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589097421 OOYYYXRXBCQRDM-IBGZPJMESA-N 432.615 2.443 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1589185652 FTWHZSSLYHFFNN-AVIJNYRZSA-N 426.517 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1589207598 NQXLHGGPOKZDQU-QVKFZJNVSA-N 430.459 2.309 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCN(C)C2)CC1 1594142459 CFTNLQVHMUWCCP-IEGUWTFLSA-N 446.596 2.272 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1595094759 YIKNHTAHHWOGMN-PMACEKPBSA-N 436.516 2.099 30 10 IEEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1595303688 YGHRSLDDCSXOKA-QGZVKYPTSA-N 441.576 2.313 30 10 IEEE C=CCSCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1595905050 BKTGGVHFPZPQTJ-WMQCIHAUSA-N 438.594 2.234 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1614801223 DACMKNUCLGXAPA-UWJYYQICSA-N 440.548 2.423 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 1615837870 IFGABTRCVRCYCV-IBGZPJMESA-N 447.591 2.213 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 1616735082 PMNUFKMFBOTJMB-UHFFFAOYSA-N 433.464 2.295 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CC(F)(F)CO2)c1 1620347989 IMCUXRBNOFOLRJ-QGZVFWFLSA-N 430.459 2.333 30 10 IEEE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1620480984 ZSXUPKOZBHKLFL-VQTJNVASSA-N 434.968 2.096 30 10 IEEE NC(=O)[C@](O)(CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1620633715 YVMPQVYTEQRIOG-GVXVVHGQSA-N 432.311 2.462 30 10 IEEE COC(COCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)OC 1625383336 ODWIJUBKNMYCJO-LJQANCHMSA-N 433.505 2.144 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1628507486 DKFNYQWWODVXGF-NVXWUHKLSA-N 430.501 2.470 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1628821197 XEFHROCLOMOPTL-HXUWFJFHSA-N 447.601 2.423 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc(NC(=O)OC)cc2)s1 1629720313 XPZDIMVZKKRXOR-UHFFFAOYSA-N 437.543 2.292 30 10 IEEE Cn1cc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)n1 1641458345 FHKYJUBPSHUBKO-RTWAWAEBSA-N 433.512 2.016 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1 1643892190 DQVOGCJTUGQDIY-LPHOPBHVSA-N 444.582 2.197 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(Cn2cc(Br)cn2)on1 1644587421 KZINQQJQQFGOJP-KRWDZBQOSA-N 430.262 2.359 30 10 IEEE CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1652328613 MOTRZWLLVHOFJQ-SFHVURJKSA-N 427.530 2.357 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C(COC)COC 1662171323 QYCFBZOAXHYZEQ-MRXNPFEDSA-N 432.336 2.199 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 1674337630 OAZSFPAAQGKWCQ-SSEXGKCCSA-N 439.463 2.249 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)nn1 1683315654 YIWMRCLPCUAELO-MRXNPFEDSA-N 426.525 2.405 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN(C)C(C)C 1689861363 UFCKIISYLPUSIN-QFIPXVFZSA-N 437.636 2.441 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC1(S(C)(=O)=O)CC1 1690026991 VDTIFIKCARXTCG-UHFFFAOYSA-N 426.542 2.124 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCSC2)CC1 1690132817 XQIFBQXKZJCPJN-HSZRJFAPSA-N 441.601 2.097 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](COCC)C1 1690163601 KYJVMIDDLXQEPM-KRWDZBQOSA-N 438.561 2.150 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690178576 CKRCOEZBXKPNJC-SFHVURJKSA-N 428.562 2.345 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690219766 KRYWIZCZCMBKSJ-GDBMZVCRSA-N 439.358 2.087 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1690246432 UMIFFZLTTLIAGV-LZJIOBQVSA-N 426.558 2.346 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)N(C)C)CC1 1690367598 UTOQDCFLBNTVHE-QGZVFWFLSA-N 432.594 2.302 30 10 IEEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1690408797 XRMKLHIXLZQVGQ-UHFFFAOYSA-N 445.527 2.006 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1690410786 XLPOZSKRQLXIAE-INIZCTEOSA-N 439.507 2.463 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1 1690667142 RJJPXKIBVVMJSW-UHFFFAOYSA-N 439.495 2.005 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1690671141 PNAMANVUUQFPAI-RBUKOAKNSA-N 443.573 2.132 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCNC(=O)CC2)cc1 1690678936 FVTHCFBDMFPJKE-UHFFFAOYSA-N 440.548 2.136 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc([C@@H](C)OC)n2)C1 1690685046 USMXMQPBVPLZMR-GDBMZVCRSA-N 434.566 2.410 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1690686624 QWORKBCDFCHVIM-PMAPCBKXSA-N 445.539 2.405 30 10 IEEE CCc1cnc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)s1 1694562470 YZRNJNPNCOGESV-ZDUSSCGKSA-N 446.558 2.348 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)C(=O)NCC2 1698137567 GXJCGODQXQOKIN-INIZCTEOSA-N 438.532 2.076 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705493738 NGJBLSAAEFCEJI-NNPSNHGLSA-N 442.564 2.190 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCOC)cc1 1705495962 XYRQYBSSPLWDHJ-MJGOQNOKSA-N 446.573 2.102 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cnn(CCOC)c1 1705579370 KIINLQOEVJIIDN-UHFFFAOYSA-N 427.512 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705629636 PCUWMLREKRGENB-FQEVSTJZSA-N 444.539 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1705672102 KYKTUFLTISBMBE-IIBYNOLFSA-N 429.594 2.180 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1705871457 KMHNFSQZHRELNI-UHFFFAOYSA-N 432.484 2.437 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705902507 GGVDMQQKUPAVCL-AEFFLSMTSA-N 444.511 2.404 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC(C)C)C1 1705921383 QYWBCEPMGBKZKN-GOSISDBHSA-N 441.532 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705930802 WHYZJLUQBIIKHV-UHFFFAOYSA-N 425.599 2.086 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1706068147 FQPYOFHKVZRRRK-QMMLZNLJSA-N 436.626 2.352 30 10 IEEE Cc1csc(CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1707728110 FNLCFTJIFZOECT-UDJKBAMHSA-N 442.545 2.315 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cccs2)n1 1707813889 APXNMJPTEDCYEV-CQSZACIVSA-N 426.550 2.227 30 10 IEEE COC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711489168 UMXIFZQLJQLPKL-SFHVURJKSA-N 425.537 2.190 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)N1CCOCC1 1722310006 HBGCOCLZSXNVFN-UHFFFAOYSA-N 447.543 2.434 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1722359819 WCJXNSYCFDDWOA-FGSXEWAUSA-N 434.606 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1Cl 1722396001 FGNMCWXNKZITQE-HNNXBMFYSA-N 434.924 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCc1nnc2n1CCCCC2 1722398939 GGIBDAOVEVWVPP-UHFFFAOYSA-N 428.544 2.287 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(C)C)CC2)CC1 1722440168 FFNGKRVGPTWTGZ-UHFFFAOYSA-N 426.590 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(F)cc2C)CC1 1722446409 VJPXSVOOSIGOJE-UHFFFAOYSA-N 449.534 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(F)c2F)CC1 1722447787 PHKKCPZRSXWLRU-GOSISDBHSA-N 443.498 2.269 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)NC 1722475505 RXBWESUNSIYWJT-HXUWFJFHSA-N 449.602 2.120 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)C(=O)C1 1722491764 BXPGYWVAJKECAF-PXNSSMCTSA-N 429.521 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1722509896 PCTCNJHAUGMVEK-XLIONFOSSA-N 434.537 2.224 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@H]1OC 1722680962 DWPKHKKSLQPYFN-WMQCIHAUSA-N 444.532 2.481 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722693623 VGVSITZXCQYTKS-DLBZAZTESA-N 442.564 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C#N 1722723864 HFPDGEYIUOFKFQ-LBPRGKRZSA-N 441.355 2.232 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1723895236 WCUFMJGBXHOMIA-IKGGRYGDSA-N 434.541 2.062 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(C(N)=O)c1 1730835874 AEMPVRKETGEKDG-INIZCTEOSA-N 426.521 2.279 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1740579861 WRVZIWKZGXWWOP-UYAOXDASSA-N 431.581 2.295 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1740621514 ZFKPHLDUMMWTOQ-HSZRJFAPSA-N 425.602 2.341 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)C2CCCCC2)CC1 1740691229 XKOJCSONBVKAHN-WMZHIEFXSA-N 433.597 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1740702259 YMDXMDJXKTVFBJ-UHFFFAOYSA-N 443.486 2.365 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740719739 QXTQBMCNDNKGFZ-KDOFPFPSSA-N 431.512 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1740729663 JHKHJQFJKLWAED-HSZRJFAPSA-N 435.532 2.164 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1740891068 QCBYIJYOPBXRFF-UHFFFAOYSA-N 447.425 2.469 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C(N)=O)c2)C1 1740981633 PTSJUQNLQYZSDB-NRFANRHFSA-N 432.528 2.387 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1741133732 UILMFEVGVZNVKE-HKUYNNGSSA-N 443.621 2.469 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1COc2ccccc2O1 1744050583 JKYHNDSLWYYVNX-OPAMFIHVSA-N 442.495 2.478 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@H]1CF)C1CCN(S(C)(=O)=O)CC1 1747623358 IBHXCACZUJMJKD-FUHWJXTLSA-N 432.525 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(CCCCC2)O1 1748863642 BVHNKSUTXJARBC-MOPGFXCFSA-N 447.605 2.233 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)C(=O)NCC2 1748897064 RCNALRZQLVRBLR-UHFFFAOYSA-N 444.564 2.431 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1748913077 PESCLNYTZCAXIW-SMSORMJASA-N 430.574 2.317 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1748986971 NXCDWWGXRBCIEX-QFIPXVFZSA-N 432.576 2.045 30 10 IEEE C=CCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749643559 VUIWCAOJIGGRJV-NZQKXSOJSA-N 432.613 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749738163 HQYFHLKPHRPCTN-ROUUACIJSA-N 434.562 2.380 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749758096 JNKSSJFNPMRODX-KRWDZBQOSA-N 429.546 2.438 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)C1 1750195724 YEMWRYGEMOGYAN-RBUKOAKNSA-N 427.530 2.175 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1750199435 PKAFSSVBFHKKRH-HXUWFJFHSA-N 449.508 2.331 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1751193594 CDIIIJPWRALCQF-LSDHHAIUSA-N 429.550 2.351 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1760118079 XWPLMKHDJFPTLZ-FRQCXROJSA-N 430.530 2.073 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760257028 ZAPGLSNEHCHWEN-QUCCMNQESA-N 439.560 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760259021 XDFXYTORLPROMA-JOCHJYFZSA-N 436.604 2.366 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760316031 LKQJGWMTBQJRBA-IFMALSPDSA-N 430.597 2.092 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](OC)C1 1760326526 XBVZKMXYHBTRMG-MDZRGWNJSA-N 431.562 2.476 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1760352170 QXEQLFOECRBHNT-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=C(C)COCCn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1760360521 FETVVSKHLKQHOA-UHFFFAOYSA-N 445.549 2.265 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1760450343 JEHJHOMCCYYFAR-IRXDYDNUSA-N 428.624 2.495 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1760481279 RXIMKBKYRKTYRL-SFHVURJKSA-N 443.573 2.247 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@]1(N2CCOCC2)CCSC1 1760502614 GBOKWFMYBNLTEV-JOCHJYFZSA-N 446.621 2.130 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1760608581 HIVXCQDKDKCTFI-FQEVSTJZSA-N 433.516 2.381 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1762239218 CBEBNUBVQVDPEX-JKSBSHDWSA-N 449.575 2.138 30 10 IEEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1770573594 XJKLOFOIJBAKJT-ILCXRZRJSA-N 438.598 2.224 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1770868055 ZXWDVAASUKGNNS-UHFFFAOYSA-N 433.516 2.488 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1771240629 IWJBBDUPQHZYLI-HXUWFJFHSA-N 440.548 2.363 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCn1ccnc1C 1771295240 JLAFXKWWGVXMCZ-BBTUJRGHSA-N 431.516 2.429 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1771478867 CRVIXUXSUOFURP-UHFFFAOYSA-N 439.545 2.090 30 10 IEEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2n1CCCC2 1851054242 XDUXVXYYQDKAJL-UHFFFAOYSA-N 431.493 2.270 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(C)c(C#N)c3)CC2)cc1 1851117096 KPIJUMJRAIDOHZ-UHFFFAOYSA-N 427.526 2.338 30 10 IEEE N#Cc1ccccc1OC[C@H](CS(=O)(=O)c1ccccc1)OCCN1CCOCC1 1851842831 CRWIHEDXIGIWBY-HXUWFJFHSA-N 430.526 2.128 30 10 IEEE CN1C(=O)CC[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1ccccc1 1852086422 LZTBJDLISHDZKQ-ZJSXRUAMSA-N 447.539 2.228 30 10 IEEE Cc1cccc(N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2nccc(N(C)C)c2C#N)c1 1853241938 WDCQKGAYHVJAOF-LJQANCHMSA-N 427.530 2.416 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)C(=O)C12CCCC2 1854400993 HDJHGHVXCQHFCY-UHFFFAOYSA-N 430.313 2.444 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)[C@H](C)C2=O)cc1C#N 1855027074 QYJDXCWZYLVIJD-CYBMUJFWSA-N 433.436 2.207 30 10 IEEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855734583 SJYAOUFBLRCRGH-OAHLLOKOSA-N 427.482 2.019 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)CSC3CCCC3)C2=O)CC1 1856175639 TVVKAKHNYDMQPZ-IBGZPJMESA-N 427.574 2.269 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CC2=O)cc1 1857218420 YXZGFHCOHDOQQF-GOSISDBHSA-N 431.558 2.483 30 10 IEEE C[C@H]1CC(=O)N(C(=O)C2CC3(CCOCC3)C2)c2ccccc2N1S(=O)(=O)CC#N 1857457834 XLBOAXSZLVCVLX-HNNXBMFYSA-N 431.514 2.205 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4ccc(C#N)cc4)C3)ccc21 1858415510 FTFHNDMHQWJTCP-SFHVURJKSA-N 438.509 2.117 30 10 IEEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(F)cc2)C1=O 1863136901 LKBKXFMKBIAMSD-UHFFFAOYSA-N 443.456 2.029 30 10 IEEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(Cl)cc2)C1=O 1863533455 DHUNOZRJAHVLDO-UHFFFAOYSA-N 445.928 2.086 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc(F)cc2)CC1 1866868635 WBSGISYIURVVEI-QZTJIDSGSA-N 430.505 2.280 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(OC)c1 1874470484 IBGCKRYZRJBMDZ-WSDLNYQXSA-N 429.502 2.359 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)C1 2011681523 JZKCVZKVDNVKKW-UHFFFAOYSA-N 439.553 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CC1 2063391908 VICFVJDUAAPZIV-HUUCEWRRSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1cc(Br)ccc1C#N 2118200909 KEKJOSFFWOQISS-SFHVURJKSA-N 426.311 2.413 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCCO1 2141667648 LBVAKZJEOUPYDE-JOCHJYFZSA-N 447.341 2.393 30 10 IEEE C=CCn1ncc(N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(Br)c1=O 2178146518 JDSLDVFAXJUEPQ-MRVWCRGKSA-N 441.326 2.238 30 10 IEEE Cn1nc(CN=C2NC[C@@]3(CCCO3)CS2)c(I)c1Cl 2194012956 YUVOYRIPWLLBOX-LBPRGKRZSA-N 426.711 2.420 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#CCCO 2229105527 JTWZTNGLMTWJQN-INIZCTEOSA-N 425.323 2.387 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2243172092 CPQYEJKSLDTZPI-MRXNPFEDSA-N 427.542 2.029 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2255823770 XMKDMCMZUJLESP-HOCLYGCPSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256896076 NZNOKCHMUPTMAO-UHFFFAOYSA-N 439.337 2.233 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2267098534 AIMROFKGSIKNHD-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CC(CNC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267144574 YDIOABYLQQKOOX-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)n1 2267184792 ONFBYTWCBQXLDG-MRXNPFEDSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267187021 RTPBAEALWCOLNY-PKOBYXMFSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267190715 SODCULZDJYETRD-HNNXBMFYSA-N 447.316 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)CCC2)CC1 2267579175 OSFKJOIRQHWVNW-UHFFFAOYSA-N 447.385 2.213 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]12CCN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267873588 ZBEVYEYMHHSNDH-JOCHJYFZSA-N 444.341 2.001 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268631029 SAGYFHJWIAUTJI-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE CC1(C)OB(c2ccc(F)c(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2270597593 HIAVRAUOEQLBFQ-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2327380458 QNIZMMLYDUCXTE-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1nc(Br)nn1CCOC 2353694482 ZYTCRMKHIVQJTD-QWHCGFSZSA-N 430.347 2.254 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)c1 103126895 UKNLCPFHLKURGV-LAFOYAEKSA-N 442.424 2.034 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1 238958017 YDULANGYWZMMLK-IBGZPJMESA-N 440.525 2.421 30 10 IEEE O=C(Cc1ccc(F)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 263625888 OHRGGHIRDVXVKE-YJBOKZPZSA-N 448.497 2.399 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 435511332 MUSMCMMUAFCQQM-UHFFFAOYSA-N 426.565 2.068 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c(C#N)cn1CCOC 460134139 MPQGABZYQSISBZ-ZDUSSCGKSA-N 430.509 2.286 30 10 IEEE COC(=O)C(C)(C)N(Cc1ccccc1Br)C(=O)[C@@H](C)n1cnc(C#N)n1 464715236 VMMOSQOFIYOSJK-GFCCVEGCSA-N 434.294 2.454 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccccc1Br 469191417 YCDOTCQIRCKZQQ-CYBMUJFWSA-N 436.331 2.346 30 10 IEEE CSc1ccc(N2C[C@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2=O)cc1 471682430 IFPXAFALMKNZPX-MRXNPFEDSA-N 438.557 2.024 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN(CC(F)F)[C@H](CC)C2)c(C#N)cn1CCOC 481344067 LBGFJGVNRJVPCY-OAHLLOKOSA-N 441.479 2.376 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)Cc3cc(C)[nH]n3)nnc12 488985128 QGSDTGAFDREJIJ-CYBMUJFWSA-N 437.529 2.101 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1=O 499437653 RIJYGSGFKJZQKR-CGTJXYLNSA-N 433.350 2.463 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 503151958 MMEFARSWQYBFJP-QFIPXVFZSA-N 449.573 2.359 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 505155881 AHXDPEDLJLGUHK-SJLPKXTDSA-N 441.557 2.164 30 10 IEEE COc1cc(C)cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 506053916 PLVYWLKYYQKVMO-UHFFFAOYSA-N 428.514 2.091 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(CCC(=O)N(C)C)CC1 508841295 PRJLAGDIVWJEDN-UHFFFAOYSA-N 437.592 2.017 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 508849567 QWQYPJITOWOOAK-INIZCTEOSA-N 445.593 2.165 30 10 IEEE COc1cccc(N2C[C@@H](NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)CC2=O)c1 510327299 ZHWLIQYFRCCIIM-INIZCTEOSA-N 437.475 2.343 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)cc1 514123424 BCCUZINJVBVNLN-UHFFFAOYSA-N 434.521 2.147 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccccc3)c2=O)cc1F 522625881 GHDLPZMLVFUIFW-UHFFFAOYSA-N 437.496 2.074 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CC1 536919343 DDKCEOAVXYCWPC-UHFFFAOYSA-N 445.347 2.470 30 10 IEEE CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542962766 WDGIOSVGKRKQKF-WFASDCNBSA-N 436.925 2.237 30 10 IEEE COCCCS(=O)(=O)N1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 557645232 WXOWUEDESXTQPS-UHFFFAOYSA-N 436.759 2.462 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@H](NC(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 586021124 VQBILGFUZGXCPQ-IBGZPJMESA-N 444.491 2.355 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccccc3OC)cc21 586354529 JIPLTSJVHMLJIO-HKBQPEDESA-N 442.493 2.177 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 736581457 FUUVVBJQNOLFNG-HNNXBMFYSA-N 431.583 2.280 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1 747641541 CBXZAVIBNYFJHL-UHFFFAOYSA-N 425.388 2.067 30 10 IEEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(Cl)c(F)c1 755059031 JPXUNXIUSSOXNK-ASBLKLPYSA-N 435.887 2.050 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1coc(S(=O)(=O)N(C)C)c1 756290557 AHAQATOYJPRNJH-CQSZACIVSA-N 449.485 2.031 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@@H](C#N)C1 757897562 JDFWNDRUYMMXPR-LBPRGKRZSA-N 443.909 2.245 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(C4CCCCC4)[nH]n3)CC2)o1 758774412 ZPEJHWXVOLERKC-UHFFFAOYSA-N 426.477 2.131 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(C3CC3)s2)c1=O 761841576 WQJXQLPWCUPMLO-UHFFFAOYSA-N 429.567 2.152 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc(-c2ccccc2)cn1 764446122 GYXAPANGXSYJMR-UHFFFAOYSA-N 435.509 2.279 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCc2cn3c(n2)SCC3)C1=O 767046975 NFXOEVCPHYGDJZ-INIZCTEOSA-N 440.554 2.171 30 10 IEEE C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCCN/C(O)=C1\N=CC=CC1=O 772982337 ICBFSPSAOYUNTR-PFFGMESJSA-N 426.395 2.418 30 10 IEEE CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 775941927 FGDBFMUSRZCGGI-VCGVYRDQSA-N 435.480 2.347 30 10 IEEE C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 781392910 RQOYLTPANHKZQY-OAHLLOKOSA-N 441.509 2.411 30 10 IEEE N#Cc1ncccc1OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 794492697 XRYBLASDPKTWNN-UHFFFAOYSA-N 427.486 2.222 30 10 IEEE C[C@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(=O)NC1(C#N)CCCCC1 796410457 CTZFJQKFJQAINU-KVSKMBFKSA-N 443.548 2.383 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)cc1 796726281 ZLNPUFJBSSQZKX-FXAWDEMLSA-N 440.456 2.466 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 802571046 GPMKVACXPBUPPK-CQSZACIVSA-N 427.900 2.102 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCO2)c(OC)c1 802687812 YQFPNQJMSLXVQJ-IEBWSBKVSA-N 438.532 2.318 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 808327690 FKNZYDDNOQHDPK-KRWDZBQOSA-N 426.583 2.027 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(F)cc1 812914211 JUSLDOMJAHDWOQ-GOSISDBHSA-N 447.488 2.351 30 10 IEEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 813560973 BBHIUDFTBCILHK-WCQYABFASA-N 430.452 2.130 30 10 IEEE CCOC(=O)NCc1ccc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 916177579 HDIJZXVQYPRJMK-AWEZNQCLSA-N 431.470 2.077 30 10 IEEE COc1ccc(-n2nc3c(N)c(C#N)c(N)nc3c(C#N)c2=NC(=O)c2ccccc2)cc1 1088732493 WABASBNMISXZSV-UHFFFAOYSA-N 436.435 2.078 30 10 IEEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)nn1 1124268858 KCMQEFJEYCDGEV-UHFFFAOYSA-N 431.562 2.153 30 10 IEEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)NCCc1ccccc1 1129503530 ACNVUQFXGFLSSD-CRAIPNDOSA-N 438.915 2.428 30 10 IEEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1130233479 WJYLRZSBRUUSEI-CWRNSKLLSA-N 449.573 2.234 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(Br)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1134055598 CDEGQJSWCOJSJD-HZMBPMFUSA-N 448.136 2.222 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1C(F)(F)F 1175974606 VJYFJIOVEVNZBD-LSDHHAIUSA-N 431.459 2.277 30 10 IEEE Cc1cccc(-n2ncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2C(F)(F)F)c1 1180988246 CPHMKTAQYLFXQN-UHFFFAOYSA-N 444.373 2.031 30 10 IEEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 1267478875 GUNGXWBRTWSCOD-INIZCTEOSA-N 432.498 2.430 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1286304915 YPMURQCZLLZHET-IRXDYDNUSA-N 432.569 2.408 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286389312 HYVKPOKOLRRRTH-GOSISDBHSA-N 444.605 2.022 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(C)cc1 1286467405 PINCLQCJRRLJFO-AZUAARDMSA-N 430.574 2.378 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286546426 JGMXTHGXXQDLNY-XDNAFOTISA-N 425.599 2.243 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286792599 CQCSOKCJOCKCLH-IEBWSBKVSA-N 429.496 2.446 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)NC)CC2)cc1 1286794701 OOKCWTIFIGQXMB-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286816528 FXWQCKMXQSDVNL-SJORKVTESA-N 426.583 2.167 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1287090068 WCTLFEKOTFYNDS-IYWMVGAKSA-N 447.580 2.369 30 10 IEEE CC(C)N(C)CCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1287902642 LEHJMKJOHNUHLQ-UHFFFAOYSA-N 446.563 2.059 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccncc2Cl)CCOC1 1288321221 GTXJBZLZZJIMNA-JXFKEZNVSA-N 432.912 2.144 30 10 IEEE C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1)N1CCOCC1 1288658681 DDVHFTJFUQLVCZ-IBGZPJMESA-N 431.544 2.493 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOCC1 1291620206 OAOZRXJKWMHHLI-LJQANCHMSA-N 438.580 2.107 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1297800611 CRCACJYIFFZRAX-QZTJIDSGSA-N 444.557 2.166 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1300371366 RCFUUQLORONKMR-HSZRJFAPSA-N 425.508 2.441 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccn(CC)c1=O 1300539031 WVCMPHOHTLNILM-OAQYLSRUSA-N 429.480 2.093 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2ccc3c(c2)COCC3)n1 1300681314 MQKOZENAKXPVJB-UHFFFAOYSA-N 434.544 2.444 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](F)COC)CC1 1300691016 MKOSDTOKHKAFNX-GOSISDBHSA-N 431.512 2.092 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCOC 1300756568 PZCCMJOCLAOVEA-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1300885517 QDEJXZJANLRSCT-UXLLHSPISA-N 437.591 2.254 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300971696 FHLTVMCXAFILJW-QGZVFWFLSA-N 427.553 2.205 30 10 IEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1301258131 LYRQMAMDGGSOJF-LJQANCHMSA-N 449.577 2.280 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(OC)C2)CCOCC1 1302119841 FETWPUMJXNDQSQ-UHFFFAOYSA-N 441.532 2.254 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1C(F)(F)F 1302850832 SESLPYSECXWJCD-IUODEOHRSA-N 427.452 2.496 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)(F)F)C1 1302979965 WTZJRJAJTSNLLQ-MRXNPFEDSA-N 430.362 2.374 30 10 IEEE Cc1[nH]c2ccccc2c1SCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1305934223 MBWRFCRHEFDLCI-UHFFFAOYSA-N 428.539 2.423 30 10 IEEE CSc1ccc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1C#N 1313293110 WHSNWADDEICIKB-UHFFFAOYSA-N 447.586 2.205 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C[C@@H]1C 1315118724 RESNABMDETUCMZ-SFHVURJKSA-N 435.532 2.356 30 10 IEEE C=CCNC(=S)/C(=C(/O)c1ccc(CCNS(C)(=O)=O)cc1)[n+]1cc(O)ccc1C 1318076759 DWLZORRRIUUVHD-UHFFFAOYSA-O 448.590 2.067 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCCO2)C1 1321325035 MWIIVGZMBKIAOM-SJORKVTESA-N 446.577 2.199 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C1CC1)N(C)C 1358874893 GBPZKHQDQCACDG-YJBOKZPZSA-N 443.621 2.345 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](C(CC)CC)N1CCOCC1 1358990845 DTGDOTYYEQGYPV-JOCHJYFZSA-N 435.576 2.335 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1ccnc1C 1359002063 MJRORJAFSJDKMZ-UHFFFAOYSA-N 440.577 2.211 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1359014413 IRXREUXJTMFTIB-FUJBLVTHSA-N 435.594 2.419 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359034649 YXXPWACCJNGHEO-OYRHEFFESA-N 438.624 2.192 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2snnc2C)CC1 1359046115 FNCMGNGHZSFHGX-UHFFFAOYSA-N 441.586 2.104 30 10 IEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1359209292 IMWPJOIRUHFJDE-UHFFFAOYSA-N 437.342 2.297 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359287010 GFWUQQCFYNEYLR-SJORKVTESA-N 445.568 2.135 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](CC)C1 1359303911 FKSHOATVGJXIEZ-GOSISDBHSA-N 426.546 2.363 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1449425858 OZNAZJWIZIZLIF-KRWDZBQOSA-N 432.498 2.316 30 10 IEEE Cc1cc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)ncc1C#N 1456277570 LLQPSPQDGXIEMB-UHFFFAOYSA-N 443.301 2.388 30 10 IEEE C#CCNC(=O)CN1CCCN(c2ccnc(-c3ccc(Br)cc3)n2)CC1 1458164630 YECQTTBBPXSVCW-UHFFFAOYSA-N 428.334 2.168 30 10 IEEE CCc1nnc(N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1CC 1458638197 LXZNXOZDUIIZDA-INIZCTEOSA-N 429.521 2.319 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 1460312018 VQZPDYCXKGSJOY-AWEZNQCLSA-N 428.411 2.361 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(I)cc3N)CC2)nc1 1464408846 ZMOGRUHSVOFQQO-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 1469504215 BPAGUHIBXOIFMB-OAQYLSRUSA-N 425.533 2.224 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 1471521660 MRLRUEANXKRYHF-RPXHZFJKSA-N 436.599 2.075 30 10 IEEE COC(=O)N1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CC1 1503887654 GUPXBCPEMKEULL-UHFFFAOYSA-N 443.552 2.009 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCc2noc(CC)n2)c1 1507552212 MLGXVCHLIJPKBX-UHFFFAOYSA-N 433.516 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CN(CC(C)C)CCO1 1507603717 SYLBSOIZJMJINT-KRWDZBQOSA-N 449.397 2.472 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507632430 LBGBAXNAIRNHHK-PMACEKPBSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507638530 RWGZVFPPNGBJKQ-GOSISDBHSA-N 444.557 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccco1)N1CCCC1 1507659195 MYYWQDPMCWKKRB-FQEVSTJZSA-N 434.544 2.407 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCCC2)C1 1507760129 TWJSLQIJKCNFCF-UFYCRDLUSA-N 433.622 2.433 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(CC(C)C)c2C)CC1 1507882090 REBCLIDQKKZLFW-INIZCTEOSA-N 435.598 2.254 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1507998887 UVAMZOVAIRCUJR-GOSISDBHSA-N 440.548 2.203 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccccc1 1508143410 YIQCXKCKHCOPQM-QZTJIDSGSA-N 429.546 2.172 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(N)=O)CCCC1 1513030060 QUYOSHQBOCLJLW-KRWDZBQOSA-N 436.564 2.431 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)C1 1516023725 MUSGYXZHHYQUDU-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE COc1ccc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 1516185288 QPUUPONYMJBXNS-PTGBLXJZSA-N 432.502 2.058 30 10 IEEE CNC(=O)c1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)c1 1517494565 FHJVOFHRYWKELE-NRFANRHFSA-N 439.520 2.484 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539097271 HYYYNEACPGYJON-HSZRJFAPSA-N 436.516 2.182 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1539219937 OQMKZOHASLCGJX-MRXNPFEDSA-N 438.500 2.311 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCn1nc(C)cc1C 1539315193 GZZPORZEPZMIMY-UHFFFAOYSA-N 433.516 2.372 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCSCC2)CC1 1539434634 QTUAOVXTTCYSIT-UHFFFAOYSA-N 431.009 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C/C=C\CC)CC1 1539445632 BHPOAFMYDLSRIW-YFHOEESVSA-N 431.544 2.396 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1539518307 XMHMXVCJMAHDKI-LPHOPBHVSA-N 441.557 2.249 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539592317 CBUWAOKLOIMOME-AWEZNQCLSA-N 434.342 2.337 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540049011 FPFMKJLSYKHJNA-JPYJTQIMSA-N 442.564 2.221 30 10 IEEE COc1cc(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc(OC)c1 1540089865 NIEIGCAJSLHIJN-HXUWFJFHSA-N 436.468 2.139 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](OCC=C)C1 1540864075 ODCGQBFKIIRFNU-SFHVURJKSA-N 433.516 2.419 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1540879113 SUNVWXSLSWFFKK-UHFFFAOYSA-N 440.592 2.300 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CCOC3=O)c2)s1 1540968229 OXSDHRNFNYOQNH-UHFFFAOYSA-N 435.527 2.346 30 10 IEEE CCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)c1 1547759658 BTEIBITWYCAHQI-UHFFFAOYSA-N 435.532 2.052 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1554164919 BSKNBBIQXUARMS-OALUTQOASA-N 429.546 2.115 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556457875 SAJYEQQTNRTTOM-CTWPCTMYSA-N 426.517 2.421 30 10 IEEE CC(C)C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1557115428 UZVHSDMCYNLSSM-DOTOQJQBSA-N 437.562 2.345 30 10 IEEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 1558799956 WFWWXMRZMUUIIV-AUSIDOKSSA-N 434.540 2.217 30 10 IEEE N#Cc1cnccc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1559438036 NWPMWPLVDHFHRG-UHFFFAOYSA-N 442.975 2.293 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CN2CCO[C@@](C)(C#N)C2)cc1 1560182147 FDXKSSBYJAKZDZ-NRFANRHFSA-N 434.562 2.193 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2cc(F)ccc2Oc2cncc(Cl)c2)CC1 1560982805 IAVSGDUIAFXAIY-UHFFFAOYSA-N 438.912 2.252 30 10 IEEE N#Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 1565064356 DWPWKEMULPRZFG-UHFFFAOYSA-N 432.933 2.470 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)c1cccc(C#CCO)c1)CC2 1565687150 CEOWPTWOWASMJP-UHFFFAOYSA-N 436.508 2.143 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCC1 1587663232 VECAJOKLJIHBQF-GOSISDBHSA-N 430.622 2.220 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1588034571 IPLDPTHXJDJXCU-PKOBYXMFSA-N 446.598 2.476 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)CC1 1588199153 HTAHWYRRDWTZJA-UHFFFAOYSA-N 432.373 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cnn(C)c1 1588241199 MEOKMIWIQIIVHE-OAQYLSRUSA-N 428.544 2.129 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1588801152 WQIFLGGKZMTTCB-QGZVFWFLSA-N 425.537 2.009 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C/C=C/CC)CC1 1588836971 PEDMXEJQYYNLCE-CSHXORCISA-N 444.580 2.308 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1589053089 GSXYZHGBHTWSPQ-KRWDZBQOSA-N 425.562 2.055 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)cc1 1593752518 MEPLSSHSLVNKMA-NRFANRHFSA-N 438.484 2.248 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1593753197 ZMEKXXXRMRMWNK-HXUWFJFHSA-N 426.565 2.015 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1593806681 CZVSRWFULDTBNU-HNNXBMFYSA-N 434.006 2.421 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1594569101 YRYIWLBOXRDNLI-CVEARBPZSA-N 425.493 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCOC2)C1 1595682289 ZSXQZEQLDAPIEQ-DYESRHJHSA-N 436.459 2.479 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1596618970 IKNRSSIALDMAKO-UHFFFAOYSA-N 426.538 2.130 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)N4CCC(O)CC4)c3)CC2=O)cc1 1598382802 BSKRYWLMMGMMGP-SFHVURJKSA-N 432.480 2.147 30 10 IEEE C=CC(C)(C)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1606603481 WFSNUNSNHNHNAQ-UHFFFAOYSA-N 435.315 2.304 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1616005206 KQWDMXFIAMIPIF-IBGZPJMESA-N 440.552 2.341 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1=O 1618456147 LDZQQVNDYSVXGA-BEFAXECRSA-N 434.422 2.063 30 10 IEEE C#CC[C@@H](CO)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC 1625386398 BGVWKWGQLIYSPG-KRWDZBQOSA-N 437.521 2.046 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1626239205 MKTWWRASMVZOOG-UHFFFAOYSA-N 429.274 2.192 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CCN(C)CC1 1626637107 GNHSEYKVCXXIJJ-UHFFFAOYSA-N 443.613 2.132 30 10 IEEE N#C[C@@H]1CN(C(=O)c2csc(I)c2Br)CCO1 1632583385 FXRAXFPVTAIGMX-ZCFIWIBFSA-N 427.061 2.480 30 10 IEEE CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1633055293 BGHGXNAITMMNIL-UHFFFAOYSA-N 445.867 2.083 30 10 IEEE COC(=O)C[C@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCOC1 1633403816 MVGAPNHHQKMDSS-DXXXYDMZSA-N 435.521 2.002 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1)C(C)C 1635500738 XTQGSJXKYXXEES-UHFFFAOYSA-N 427.548 2.491 30 10 IEEE Cc1ccc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)cc1S(=O)(=O)NCC#N 1639660336 VACRLZCVMRUMSH-UHFFFAOYSA-N 445.545 2.363 30 10 IEEE C#CCO[C@H](C)C(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1641123208 FQWQXQYIJPZFBW-MSOLQXFVSA-N 445.564 2.211 30 10 IEEE N#Cc1ncccc1SCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1641128287 HSYVSTBDIRVDNY-UHFFFAOYSA-N 446.554 2.330 30 10 IEEE Cc1csc(C[C@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1645625341 FJYUAOHZMNFWFY-DOTOQJQBSA-N 432.571 2.471 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4cccc(C#N)n4)CC[C@H]32)CC1 1651146493 FALVJJCHXXRXNL-ZWKOTPCHSA-N 426.521 2.325 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)CCO2)cc1 1652919760 PNRHXCXSRBQKIT-HXUWFJFHSA-N 431.489 2.356 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3c(CC(N)=O)cccc3C2)cc1 1658320405 JLBXLHADWDDAAJ-UHFFFAOYSA-N 442.541 2.111 30 10 IEEE COc1cc(CNC(=O)N2CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C2)ccc1C#N 1680913480 SFNXEOACFGMANA-GOSISDBHSA-N 432.521 2.470 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1689916507 LYDMDAQSIQJIHS-IEBWSBKVSA-N 427.574 2.435 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689986152 JRSJPKIAPAXPEB-INIZCTEOSA-N 445.495 2.237 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCCC1 1690102321 IGSIVVXSQHKDIG-QZTJIDSGSA-N 442.589 2.214 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2OCC[C@H]2C)CC1 1690133418 GIYKWTMADKPARV-WIYYLYMNSA-N 425.533 2.046 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1690155458 KFHFGAPMPPQMIY-MWDXBVQZSA-N 425.624 2.270 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(S(C)(=O)=O)CC1 1690161385 CNXGYTIWNFQJAF-UHFFFAOYSA-N 445.570 2.139 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690469401 NWSNMQRIVDDACK-INIZCTEOSA-N 436.557 2.112 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1)C1CC1 1690537303 MGBQPXLTTBQDRE-OAHLLOKOSA-N 447.561 2.137 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1690669067 SJMRYGONLIOYIW-IBGZPJMESA-N 432.532 2.143 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOC[C@H](C2CCC2)C1 1690724713 VDKXYBBICUUJIW-RTBURBONSA-N 438.594 2.026 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1691001304 GSPZCSUKGRXWOA-QWHCGFSZSA-N 437.426 2.318 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1F 1693546396 DUFMZVAUJMLPEA-OAHLLOKOSA-N 435.463 2.097 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1696729751 FKAKFXSLZAVKTI-UHFFFAOYSA-N 434.548 2.467 30 10 IEEE CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1696802094 AJDJFHDTTZAIBA-UTKZUKDTSA-N 446.552 2.149 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1705564933 FTUMBGZNRRVLSX-XUVXKRRUSA-N 449.621 2.021 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nnn(C)n1 1705607748 PIDNMQNGKLZBJT-UHFFFAOYSA-N 435.717 2.392 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)CC1 1705637230 OCPFADBWFJIPMA-UHFFFAOYSA-N 434.544 2.015 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1)C1CC1 1705847995 JVFXNKQRJFDCES-QGZVFWFLSA-N 439.568 2.072 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705902310 BHSIJLWKWMUFKK-GOSISDBHSA-N 427.505 2.230 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705946063 YATGSGBPYXMZSK-RDJZCZTQSA-N 433.582 2.276 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709451838 WSBJWNQQIPOYSI-HSZRJFAPSA-N 433.516 2.350 30 10 IEEE CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1709914014 YJPRSTJIOAHWTO-JQIJEIRASA-N 434.298 2.018 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC 1722285466 WDQRLKBEQIYGQJ-VDZJLULYSA-N 445.951 2.371 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(O)C2CC2)CC1 1722430875 JUNKQJREOWDTJL-SBUREZEXSA-N 427.524 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722507347 HZXBFZNWFQTINM-VWPQPMDRSA-N 444.624 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](OC)[C@H](OC)C1 1722694524 YBUJBBJNDJVAHN-CALCHBBNSA-N 445.589 2.428 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(CN2CCOCC2)CC1 1722696431 NEPBNPOTIDTNFK-UHFFFAOYSA-N 438.576 2.104 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1722713580 HZMYEGXAPSLWNH-GOSISDBHSA-N 431.562 2.235 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCCc1ccccc1 1723168238 OKRCRKBXLBZUPF-UHFFFAOYSA-N 445.527 2.295 30 10 IEEE C[C@](O)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1723972612 HWLUYTQPDFTWNT-BTYIYWSLSA-N 427.436 2.226 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1727658228 CBKMAMBVMNYJLT-XKDCRVNJSA-N 440.548 2.241 30 10 IEEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1730476820 LXYKTAWBPDKNJF-AQNXPRMDSA-N 427.505 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1740532965 NKTGTYDOSWDJHJ-YESZJQIVSA-N 448.568 2.012 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740578490 BMUFHFULQOTEAA-UHFFFAOYSA-N 435.507 2.265 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1740597541 QNURYCVMKHWZMZ-UHFFFAOYSA-N 435.532 2.339 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1740624834 BEKVYPBQZNIPTP-KRWDZBQOSA-N 435.619 2.419 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCN1CCOC(C)(C)C1 1740687128 RSGYDKGIHXDHGA-UHFFFAOYSA-N 425.577 2.374 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740716219 NUAQYLMWEKAYBM-FQEVSTJZSA-N 438.601 2.261 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1740729699 LOUJYHOSBXDVBD-HOYKHHGWSA-N 437.544 2.441 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)o1 1740751576 LYKHLRQRBYRIEH-NUJGCVRESA-N 437.566 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCSC 1740959245 OSOMCCJXSGIKBC-UHFFFAOYSA-N 427.534 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nnc(C)s2)C1 1740983536 KLSKWFVNOMBCCK-KRWDZBQOSA-N 428.566 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C#N)CC1 1740988839 QZDWOSZLKYBQFB-UHFFFAOYSA-N 445.545 2.303 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2cc(F)ccc2C1 1740989979 FEPRGMFAWRSINT-UHFFFAOYSA-N 428.493 2.038 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740998470 OWJAVQVDDVRVDN-INIZCTEOSA-N 446.602 2.206 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1741004387 ZMFCSSSEOHVNOL-KRWDZBQOSA-N 439.589 2.493 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CCCO 1741127510 CZEBDVSCBJVLSN-MJGOQNOKSA-N 440.548 2.159 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)NC(C)(C)C 1741371563 DSTTXZDDCBNZDC-MRXNPFEDSA-N 439.568 2.083 30 10 IEEE C[C@@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1742952279 DHXCWKVCPDPLLG-AEFFLSMTSA-N 438.532 2.103 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748825393 YFKPIHRCWBSJIG-MAUKXSAKSA-N 436.484 2.083 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1748926363 CTDURARKFXCNCP-SFHVURJKSA-N 430.622 2.440 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCC3)nc2)CC1 1749004865 OTKPMYGFQVCGKG-UHFFFAOYSA-N 435.576 2.411 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1749033084 CTYIHGZBELOFHQ-VNRULFPQSA-N 436.516 2.250 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749232630 RHEXJXYWHACHKH-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccco1 1749482225 DLEPJEQCUSBUOX-FQEVSTJZSA-N 430.534 2.361 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1749485368 RXMSXDCUAPNWTO-UHFFFAOYSA-N 447.499 2.320 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCOC1 1749726855 HAYPUYXIGNJJNT-SFHVURJKSA-N 429.546 2.280 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749754836 AIQZCNCNPIDOKR-SFHVURJKSA-N 434.610 2.429 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(Cn2cccn2)c1 1750925983 DVGASTWIOFJYTB-UHFFFAOYSA-N 432.532 2.449 30 10 IEEE CC(C)OCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1751041289 UCIKUCHLBUDFME-VQIMIIECSA-N 426.587 2.224 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1751093314 NTNKEWKCNFZRMQ-CYBMUJFWSA-N 431.497 2.269 30 10 IEEE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1752263235 BAAPPQIJPMGYNR-NQIIRXRSSA-N 434.610 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1760117561 QIUSRCNGIUBKOB-BJLQDIEVSA-N 445.589 2.263 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1760150003 ADVNELVVZWTAIX-UHFFFAOYSA-N 440.573 2.420 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1760200559 NJFWJJTVLKUCSC-SFHVURJKSA-N 437.548 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCOCC1 1760221323 RLGIJZARSVYXBV-SFHVURJKSA-N 426.590 2.065 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 1760265013 KYDBIZAYLSRTQK-UHFFFAOYSA-N 446.596 2.456 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC1CC1 1760321850 KUQISPWLYLFNFU-QYZOEREBSA-N 438.594 2.024 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C)C1=O 1760499440 YNZSQBPQYHCYQS-DEOSSOPVSA-N 436.560 2.114 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1760565649 BRWDEZSYWQOVQC-IAGOWNOFSA-N 428.624 2.352 30 10 IEEE CC(C)(C)c1nccc(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)n1 1760722068 ZVLWTALGKYOUTC-SJLPKXTDSA-N 425.537 2.231 30 10 IEEE CC(C)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760910902 DJKUDFAQVLZQJE-JLUOLNIDSA-N 428.537 2.181 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCCO1 1761360295 JSPRDYPKFSQWGE-HZPDHXFCSA-N 430.509 2.330 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COCCO1 1761531094 QZQBBMVZZKSOOA-ZTFGCOKTSA-N 433.896 2.216 30 10 IEEE CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1765855953 ANOMGNOMZMGIBD-GSHUGGBRSA-N 428.537 2.362 30 10 IEEE CCNC(=O)c1cccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OCC)CCOC2)c1 1767209519 IDXOQRJPEHOVTR-SBUREZEXSA-N 440.548 2.467 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccco1 1767847511 LHDRFLGVICBURI-QGZVFWFLSA-N 426.502 2.300 30 10 IEEE COCC1(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1770826532 KJYUXQVXDGBDFW-GCJKJVERSA-N 433.553 2.254 30 10 IEEE N#Cc1cccnc1N(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)C1CCC1 1851653007 WATZHEJYZIWCFP-OAQYLSRUSA-N 438.553 2.180 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC#N)C(=O)O3)CC2)cc1Cl 1856213479 URZIVJZSRFVFLH-INIZCTEOSA-N 425.894 2.310 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862676234 DPYOQGPSWNPWIT-GOSISDBHSA-N 427.388 2.448 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(CC)nn2CC 1864327235 QPTWHAYQJYXTAN-KDOFPFPSSA-N 426.517 2.222 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cncc(Br)c3)CC2)CC1 1889311689 FJFOHFNQCKUERU-UHFFFAOYSA-N 449.393 2.106 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2010149940 FSBWPZBDYJFZJX-BBWFWOEESA-N 439.553 2.027 30 10 IEEE COc1cc2c(cc1OC)C(=N[C@H]1CNC[C@@H]1C(C)(C)O)N/C(=C1/C=C(F)C=CC1=O)N2 2049358808 IXTQNANZDPZION-BWZYPEDNSA-N 442.491 2.028 30 10 IEEE Cc1nc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2116142616 OVODKHAASSVPSN-SFTDATJTSA-N 436.365 2.174 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2243435327 PAOYKOHNUSUVKF-HUUCEWRRSA-N 430.376 2.491 30 10 IEEE Cc1nc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247835948 TYZJLLZHPOMJCS-UHFFFAOYSA-N 437.371 2.347 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905305 UBKVQIPRJKFXKG-CABCVRRESA-N 448.366 2.441 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255615247 JPDDLHHPTBONFN-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255697847 DVKZFXVRPMQTDR-LJQANCHMSA-N 426.244 2.269 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255806763 KAPROHVSIUAANK-GZBFAFLISA-N 449.382 2.428 30 10 IEEE Cn1nc(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267120807 PFHREIORFXLIMB-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267129997 ISQLURRQEHKFCH-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267136726 LXZDOSZLXOELKU-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267137127 OLFKCZLUMQNGDO-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 2267181375 RKLOWBZSFDRRGA-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CCn1cc(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267488219 SLMJQAOOIWKWMT-CABCVRRESA-N 448.373 2.235 30 10 IEEE CCn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267498482 UYDWBRIQPPJWMX-SHTZXODSSA-N 448.373 2.235 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517012 MIZRZDDVFKWTIR-ZBFHGGJFSA-N 448.373 2.426 30 10 IEEE Cc1c(C(=O)N2CCCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267524454 QDZLMDBFJLYKCR-UHFFFAOYSA-N 438.381 2.376 30 10 IEEE CCC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267535870 CRPFNKFVDKFQBW-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267549958 SHULUKHQEWEWIG-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2283072715 SRPNBLVOXIYYMP-DFBJGRDBSA-N 448.376 2.418 30 10 IEEE CN(C)c1cc(C[C@@H]2CN(Cc3ccccc3)CCN(c3nccc(C#N)n3)C2)ncn1 2296587821 QRQURKUAGLBGTB-HXUWFJFHSA-N 428.544 2.385 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303167494 PQGXEPFZVKJACC-UONOGXRCSA-N 426.319 2.138 30 10 IEEE C=CCN(CC(=C)Br)[C@H](CN)c1cc(I)nn1C 2314322619 KZYUCDBKENGSMY-LLVKDONJSA-N 425.112 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2317230916 ZTVGFNAILRUXNE-UHFFFAOYSA-N 436.289 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339302772 QQGPDUIIRVERQP-APWZRJJASA-N 443.353 2.497 30 10 IEEE NN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1cc(I)ccc1Br 2341638711 XUBHEVVEWVEVQB-SGESHTKJSA-N 433.087 2.454 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1 20292895 PWPIRWCVUCRBJR-LSFURLLWSA-N 433.444 2.456 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)cc1C#N 433308386 YGJYFHLGUTZXFI-UHFFFAOYSA-N 440.525 2.361 30 10 IEEE Cn1cnc2c1c(=O)n(CCCSCc1ccc(C#N)cc1OC(F)F)c(=O)n2C 439541360 KZVHITLPTZLWTK-UHFFFAOYSA-N 435.456 2.230 30 10 IEEE N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 446432348 HXKHNGHJYYQHSN-GOSISDBHSA-N 445.497 2.113 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cn2)C[C@@H](C)O1 462088740 FXJFDLLKRAZTPH-HZPDHXFCSA-N 432.488 2.469 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2cc(F)cc(F)c2)cc1 470439031 SIBMSTVCBWPHNK-KRWDZBQOSA-N 430.436 2.106 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@]4(CCCOC4)C3)CC2)cc1 473557782 XSIPDSIKGMAPSR-QFIPXVFZSA-N 431.558 2.378 30 10 IEEE COc1ccccc1N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481215054 RQADBKMNGHMKAN-INIZCTEOSA-N 442.541 2.019 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 495821628 ZSXGBFCPTFBVAH-IBGZPJMESA-N 447.557 2.008 30 10 IEEE CS(=O)(=O)c1nc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c2ccccn12 499442534 JDTLLWXWTLHCHJ-CYBMUJFWSA-N 433.287 2.495 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 502810652 AKSXRXOPDZJDJQ-QHCPKHFHSA-N 445.516 2.250 30 10 IEEE CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccccc1OC 503628027 XAKGSEHBTSPRFK-XXBNENTESA-N 440.544 2.359 30 10 IEEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505380494 SMVICKUMLODDRS-CTNGQTDRSA-N 433.512 2.052 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 508908223 RLQWQBZWURJTAL-HKUYNNGSSA-N 429.546 2.145 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 514770441 JGCFQINKBOJXAD-UHFFFAOYSA-N 441.557 2.273 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)cc2C1=O 522158269 QDYYSLBSHLWDEH-UHFFFAOYSA-N 432.480 2.423 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)c1 523267450 ZAMZFKDQTVPPDU-QGZVFWFLSA-N 429.542 2.416 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 538798933 FYNNTRGPUBAQEZ-UHFFFAOYSA-N 425.514 2.111 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NCCc2ccc(OCCN3CCCC3)cc2)c(F)c1 586860204 WLZUJKKTZVPKPA-UHFFFAOYSA-N 438.503 2.147 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3cccc(S(=O)(=O)N(C)C)c3)cc2C1=O 589565495 GWCKNNOOTHAJCH-CQSZACIVSA-N 441.509 2.210 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729672057 VAPWHSYSROKJAL-UHFFFAOYSA-N 443.532 2.355 30 10 IEEE Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 730404813 AHAIVIWZJYOBGR-CAOOACKPSA-N 446.851 2.149 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706658 MCPGWKOWHYYPQU-SFHVURJKSA-N 430.468 2.191 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 757431780 KLEAMRHRWUAWDL-QFIPXVFZSA-N 449.507 2.002 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2)C1=O 771583786 WCEDWPXECQNOHV-QMHKHESXSA-N 434.452 2.118 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCCc3nc(C(=O)OCC)cs3)ccc2c1=O 787460657 BSKMSAFRSSZWIX-UHFFFAOYSA-N 444.538 2.477 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N3CCSCC3)CCCCC2)n1 788997807 JPEYAFYRRLDYEW-UHFFFAOYSA-N 433.622 2.426 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 789210533 ZSCRWRLIZOBYST-UHFFFAOYSA-N 431.489 2.191 30 10 IEEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 790702148 QMPQOJQZILJOJF-MJGOQNOKSA-N 425.558 2.360 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(F)cccc2Br)c(=O)n1C[C@@H]1CCCO1 794580627 XZGMSZIEYFBBTN-LBPRGKRZSA-N 434.290 2.017 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 796098149 SNZDTAQPEOESBS-IBGZPJMESA-N 432.567 2.384 30 10 IEEE Cc1nn(-c2ccccn2)c(C)c1C=c1sc(=C(C#N)C#N)n(Cc2ccccc2)c1=O 802722497 SBEFPFONGJWMDD-UHFFFAOYSA-N 438.516 2.182 30 10 IEEE Cn1ncc(Cn2c(-c3ccc(O)c(C(N)=O)c3)csc2=Nc2ccccc2C#N)n1 804887758 MRQLQUMDURUBMZ-UHFFFAOYSA-N 431.481 2.302 30 10 IEEE C#C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 811869964 DDUTVGHYZIHESY-KRWDZBQOSA-N 434.924 2.393 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@H]1CCCO1 812263636 CHECLDNMIIPAOE-QZTJIDSGSA-N 431.562 2.044 30 10 IEEE COc1ncccc1CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 812370113 WGUKKKAGIUWCEH-UHFFFAOYSA-N 430.530 2.048 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC2)n1 812410151 JADYKCRCTOTRSA-IBGZPJMESA-N 435.532 2.168 30 10 IEEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)OCc1ccccc1 814286896 STPPXYMONAQDHE-SJCJKPOMSA-N 442.415 2.348 30 10 IEEE C=CCOc1ccc(CNc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 863993681 RVQZKMIFIBRHPB-GOSISDBHSA-N 436.555 2.329 30 10 IEEE CCc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1122502083 CVWQMALAQTXPPZ-QZTJIDSGSA-N 442.516 2.412 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CCO2)cc1 1134283546 SZAXZIPTXUPDLV-YADHBBJMSA-N 435.480 2.496 30 10 IEEE C[C@@H](C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1137430646 YAOPSJMRKVXVLT-KDOFPFPSSA-N 427.505 2.428 30 10 IEEE CN(CCO)Cc1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1Cl 1138799223 SBOXZXNMDFQAPX-UHFFFAOYSA-N 439.896 2.453 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H](c2cncn2C)N(C)C)c1 1141878037 KSRGCDVAGMISOP-FIPQWBAWSA-N 446.577 2.255 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1 1153261627 ABKHBVVPGFXXDO-UHFFFAOYSA-N 434.558 2.250 30 10 IEEE CC(C)[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCN(C)CC1 1160885465 DLNQZZXSBNERJG-FQEVSTJZSA-N 448.409 2.145 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3n[nH]cc3I)CC2)o1 1167458626 KKPSKYHELCLLDM-UHFFFAOYSA-N 426.218 2.038 30 10 IEEE N#Cc1cnn(C(=O)c2occc2CS(=O)(=O)c2ccc(Br)cc2)c1N 1168599752 WFEPBOIVAVUVLE-UHFFFAOYSA-N 435.259 2.355 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1171724001 KDYJFFYVRYKTRH-DHIUTWEWSA-N 432.524 2.291 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)CC2)c1 1182559849 DAVUONUXVAUANP-UXHICEINSA-N 427.501 2.436 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1189220139 CVYFKUWNWMCKQC-HXUWFJFHSA-N 441.509 2.274 30 10 IEEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)C1 1197221692 WIWPHQNSGMBSSV-SJORKVTESA-N 433.530 2.137 30 10 IEEE CCOC(=O)[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H](O)c1ccc(Cl)cc1 1213159009 BXFQZQVXSZQCMO-MSOLQXFVSA-N 440.880 2.435 30 10 IEEE Cc1c(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cnn1CCC#N 1265468030 OOYCOYQQGPNCDB-UHFFFAOYSA-N 435.575 2.314 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286291705 FIVYWUUXAFGMGE-TZIWHRDSSA-N 436.560 2.326 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1286349356 IDMBFARITKZTNP-LJQANCHMSA-N 427.574 2.229 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1286366266 ZWUZHLILJGBNQX-UHFFFAOYSA-N 447.524 2.047 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1286380874 FACYWFRHKPLQJD-GOSISDBHSA-N 442.541 2.481 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1286397986 FPGMCVDKMJOXSS-VAMGGRTRSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@H]1C 1286398055 SDRGPYMODIVHGH-GOSISDBHSA-N 438.963 2.419 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCO[C@@H]1C 1286462937 BPSTWEZYQCDKJO-QVKFZJNVSA-N 434.924 2.233 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1cccs1 1286469350 SKQXQGAGXOTCNH-OAQYLSRUSA-N 428.562 2.195 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286633734 UBSGDHBQOWHHPW-OALUTQOASA-N 433.988 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286816600 HMRCMSGPYGJDHL-UHFFFAOYSA-N 427.571 2.059 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)[C@@H](C)C1 1286882567 HXRMWSBQEAKQGC-IBGZPJMESA-N 449.559 2.048 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1288985750 BOTDOFISXHOWBW-QGZVFWFLSA-N 443.577 2.207 30 10 IEEE CCc1nc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)no1 1292703868 WLHCMUDIXBQDGI-IBGZPJMESA-N 426.412 2.483 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)Oc1ccc(F)cc1 1295877045 GAYXPODQCIMHON-LJQANCHMSA-N 448.472 2.254 30 10 IEEE COc1ccc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1300158183 NYKIPYNNRSWICI-NZQKXSOJSA-N 441.532 2.299 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1300268971 XPMILUCMRHIRRS-MRXNPFEDSA-N 441.499 2.321 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1300606987 YMUXRYKQWFWHHI-UHFFFAOYSA-N 430.310 2.353 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1300698173 OXSOVAOSAVMVPS-BGOLNKOXSA-N 441.601 2.202 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300740991 JPSVUJNJLVLFON-GOSISDBHSA-N 449.378 2.261 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2OC)CC1 1300763334 OGWBUPNEPRJMGR-SFHVURJKSA-N 427.574 2.484 30 10 IEEE CC(C)c1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1cccc(Cl)c1 1301210599 ATWJOBDSRAPQOH-UHFFFAOYSA-N 426.864 2.213 30 10 IEEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301306056 XHOPXDGOANCTMV-MRXNPFEDSA-N 428.562 2.254 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1301508611 OENWWJSAFFNOLT-UHFFFAOYSA-N 428.581 2.294 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301617819 JEYRGOPFGRMKTF-JOCHJYFZSA-N 445.637 2.360 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cccs2)CCOC1 1301956200 GHQFRDIDBNVLBF-IERDGZPVSA-N 446.577 2.406 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 1302617246 DJTYNGMPCJZSRF-UHFFFAOYSA-N 426.654 2.473 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCN1CCOCC1 1302681303 PRFBTKBXRHFATC-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)(F)F)C1 1302979964 WTZJRJAJTSNLLQ-INIZCTEOSA-N 430.362 2.374 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CC1 1303000238 CPHIYUKSKAJSLW-LLVKDONJSA-N 425.440 2.493 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1303637509 WYCNWGLVPHUHME-MSOLQXFVSA-N 435.532 2.192 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(Br)cn4ncnc34)C2)nc1 1303899480 JZRUALIKXOWLME-AWEZNQCLSA-N 426.278 2.475 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)C2)nc1 1303900863 RFAJULBTIAXYTR-MRXNPFEDSA-N 429.502 2.047 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)cc1 1304402980 AWLBRIGFOIXLCH-UHFFFAOYSA-N 446.577 2.233 30 10 IEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@H]1C 1305255265 CQCZTSKJLRUMEG-YQQAZPJKSA-N 426.546 2.338 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1COCCO1 1314219165 CBGYSVZNRQYGBF-IIBYNOLFSA-N 431.468 2.113 30 10 IEEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314718204 BJRQQHXEBMHZBL-CQSZACIVSA-N 442.467 2.097 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)C1 1316249768 AXKZIBSLWOLSPJ-MBSDFSHPSA-N 425.533 2.467 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCOC[C@H]1OC 1316292172 XBOBVIWYDREEPF-KSSXRGRSSA-N 433.553 2.184 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCCCCCO)cc1 1316531434 UCGFRBUSOGAALW-JOCHJYFZSA-N 443.573 2.384 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1344050309 NGIKBRCKBMUBSS-RBUKOAKNSA-N 428.558 2.368 30 10 IEEE N#Cc1cc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cs1 1350877192 CXAJTNYYGJPDSU-UHFFFAOYSA-N 430.511 2.393 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1358961688 DBJKCKOCWLTLJP-GOSISDBHSA-N 444.557 2.238 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(S(C)(=O)=O)CC1 1358982297 QUMXUICXEVFISG-UHFFFAOYSA-N 426.542 2.124 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC[C@H]1COCCO1 1358983494 KIQZDSCUIRTIBO-SFHVURJKSA-N 426.542 2.457 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359053567 RANBDYXLPNSOPY-JKSUJKDBSA-N 431.587 2.441 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1359283452 RJEVCLQBDDGVSB-VXGBXAGGSA-N 431.971 2.367 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359294233 OLCPVAXOXJKYEX-OXQOHEQNSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359306129 XCFLCJLVTDBDRD-CALCHBBNSA-N 443.552 2.091 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCN2CCN(CC)CC2)C1 1359318324 BHHGFGDVQGAGMU-NRFANRHFSA-N 425.581 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccco2)C1 1359330390 QHFJURCBOMMMAJ-SFHVURJKSA-N 429.502 2.112 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccs1)N1CCOCC1 1359515717 DNUXGZIQUNKUNY-DLBZAZTESA-N 430.578 2.439 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1359571645 OINCINHKTRYHTF-QGZVFWFLSA-N 439.520 2.043 30 10 IEEE C#CC[C@]1(C(=O)OCCCn2nc3ccccn3c2=O)CCCN1C(=O)OC(C)(C)C 1456727833 NXARLZREGNMMMJ-JOCHJYFZSA-N 428.489 2.222 30 10 IEEE C#CC[C@H]1CCN(CC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)C1 1460755816 DKCYFQFFGWDELV-SFHVURJKSA-N 437.544 2.210 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@]2(CCCOC2)O1 1463608368 HZZJAYFCRLVARZ-BZNIZROVSA-N 433.299 2.418 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 1467599898 UAZPUPLLSPXNQZ-GFCCVEGCSA-N 444.406 2.121 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2CN(C(=O)OCc3ccccc3)C2)C1 1469727418 APKAULLDAFPXQG-AEFFLSMTSA-N 443.504 2.066 30 10 IEEE COc1ccc(C(=O)NCC(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1[N+](=O)[O-] 1470610928 PDYBBPOBJZGEMO-UHFFFAOYSA-N 437.456 2.308 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1471225757 CAOSMJFHFQIMAX-GOSISDBHSA-N 433.528 2.191 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNc1ccc(C)cn1 1472010298 AHYPXWQUTGSUKC-KRWDZBQOSA-N 429.546 2.216 30 10 IEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1493065691 HZWQMEJRASUUJY-CQSZACIVSA-N 435.488 2.049 30 10 IEEE CN(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1503388611 ZQNQWDWWKBVINF-FHLIZLRMSA-N 432.475 2.439 30 10 IEEE COc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1504314645 WPBXZFFCYXPUJJ-OAQYLSRUSA-N 430.484 2.336 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCSCCCO)cc1 1505316375 IEBRMKPVCFRZTP-PMACEKPBSA-N 443.573 2.317 30 10 IEEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CC1(C(N)=O)CCOCC1 1507673014 LRTKZJFXTHDRFW-UHFFFAOYSA-N 433.556 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1507677138 UTSKCLQWBNBGTP-IBGZPJMESA-N 442.564 2.339 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1507712988 VNNXMUNVUAKUAB-AEFFLSMTSA-N 449.515 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN(CC)C2CC2)CC1 1507739429 HPFXRGOBLWTVFC-UHFFFAOYSA-N 426.609 2.461 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)NC)c1 1507760373 ZHWZSOWXZIAVIB-XMMPIXPASA-N 434.544 2.109 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1507846372 JUXXBYYDSNHDGG-HSZRJFAPSA-N 428.533 2.466 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507957903 XOSMKTAOKUDLBP-KRWDZBQOSA-N 448.568 2.210 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1507968258 QPFDJBXVUJFBPV-GFCCVEGCSA-N 443.957 2.229 30 10 IEEE CC(C)(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508518800 ZWRVYXMYDHESOA-VXPUYCOJSA-N 441.580 2.167 30 10 IEEE CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)OC 1513251245 GLKJTNYTHLULAK-OAHLLOKOSA-N 426.587 2.224 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)N[C@H](C)CC 1513913090 CYXSZWSMZMHKRU-MRXNPFEDSA-N 427.528 2.483 30 10 IEEE CCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1515165053 FXKUJLGKVAMTLZ-GOSISDBHSA-N 437.504 2.253 30 10 IEEE CCSc1cc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)ccn1 1516880671 CKBXWMNLGPRPJA-NVXWUHKLSA-N 432.550 2.286 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1519102621 PVEFAYVEIFVXII-SIKLNZKXSA-N 427.505 2.149 30 10 IEEE COc1ccc2c(c1)[C@H](NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1536598707 KGSKIVPVVFALFP-RTBURBONSA-N 434.452 2.412 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1539051795 HRYHWOQXKYUZCB-GOSISDBHSA-N 431.562 2.224 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 1539204046 YEXCTAUEYIDYIK-LJQANCHMSA-N 428.558 2.281 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539212464 PALSMRRXHRDDMA-PXNSSMCTSA-N 430.574 2.417 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCO[C@H]1CCOC1 1539232726 NFKZTGNXWUIJSO-NRFANRHFSA-N 435.528 2.416 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](OCCOC)C1)c1ccccc1 1539771175 VDICRHMYUISQPZ-FQEVSTJZSA-N 425.533 2.356 30 10 IEEE CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1547647060 QHJJFFGESFBYEO-WIWAJNDWSA-N 443.596 2.312 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2O)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367675 DRHIXOORYWDPCA-QGZVFWFLSA-N 447.417 2.063 30 10 IEEE CO[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1554648189 HQLKAXURGFKIAX-JTSKRJEESA-N 439.495 2.305 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCOCC1 1555056071 OEDXWJKXAAVWTF-SFHVURJKSA-N 427.505 2.268 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2cncn2c1 1556952996 KHZLFCSPJBPQOB-GOSISDBHSA-N 425.514 2.104 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)c1 1557637773 CWTUASLYMFKIJS-GOSISDBHSA-N 425.466 2.007 30 10 IEEE Cc1cccc(CN2CCO[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)c1 1557973855 KPXKYCANJGWRFH-GOSISDBHSA-N 445.516 2.062 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)cc1 1585616270 FAQGODLZRKLBBT-UHFFFAOYSA-N 446.529 2.124 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccs2)c1 1587693625 USQUVFJOKYZKKU-SFHVURJKSA-N 434.525 2.395 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)C)n1 1588140422 XFBGKFKMTYHZBP-INIZCTEOSA-N 431.587 2.076 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)C 1588228824 MNNSDLWACOQBMS-VAMGGRTRSA-N 432.590 2.094 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2snnc2C)n1 1588723323 KQENVLMOQSRMMU-UHFFFAOYSA-N 426.550 2.237 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1593740716 DCRFARLTDPWSRY-HZPDHXFCSA-N 432.550 2.165 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCOCC2)CC1 1594181115 ISHJDSANHNWOSX-SFHVURJKSA-N 439.564 2.296 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1594627244 SQMXLYWGONSNKP-QGZVFWFLSA-N 436.582 2.097 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1594669195 QQSOGIQCGLBELO-UHFFFAOYSA-N 430.472 2.427 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 1595675042 WSKHPAYMVJLGOX-PERKRYKHSA-N 432.496 2.490 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1595723141 RXLQSUTYBVAAPD-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)Cc3ccc(O)cc3)C2)C1 1597347146 HPGCLGLSKAMGHN-POTGORPSSA-N 429.517 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@]2(C#N)CC23CCCC3)C1 1611545469 CARBXKRWAOAZGY-QRWLVFNGSA-N 425.551 2.001 30 10 IEEE COc1cc(C#N)ccc1OCCN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1615332260 LDXDNJXHJVBWJG-SFHVURJKSA-N 446.548 2.299 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCCCCC1 1616923185 WSTLCCBJXFAYIK-UHFFFAOYSA-N 438.580 2.284 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)C1 1618867772 DWQZUKDNXOCEAT-IBGZPJMESA-N 439.516 2.402 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccccc1)N(C)C 1620111038 IOOLQLUIVIZULR-BQJUDKOJSA-N 440.548 2.034 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CCn2cc(Br)cn2)CCO1 1620355147 HAASMFIWICELIW-INIZCTEOSA-N 428.294 2.333 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 1624134593 KCPFPKNEPVPLRH-HZPDHXFCSA-N 430.977 2.081 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)CC1 1631963660 BWQQPSRYLHHQRW-QHCPKHFHSA-N 427.549 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1635213889 OUXRIJBQLHSRBN-MWDXBVQZSA-N 434.537 2.461 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@]3(C)CCCCO3)nnc12 1639098800 JHUQOMRHAWXIBA-OAQYLSRUSA-N 427.530 2.398 30 10 IEEE C=C[C@@](C)(O)CC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1641030605 PZZSAYVYDUUKOY-JOCHJYFZSA-N 427.505 2.264 30 10 IEEE N#Cc1cnc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 1650699974 KYKWLPPTEXHVSH-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CCOCC1 1657840958 OGYYLMUZHKYVRJ-YRNRMSPPSA-N 435.546 2.034 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COc3ccccc3)c2C)CC1 1675183580 DVKDQISGMODLRJ-UHFFFAOYSA-N 442.541 2.191 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1681598399 WJQOVYSRRRTQAZ-UHFFFAOYSA-N 438.322 2.095 30 10 IEEE C#C[C@H](NC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1681725281 YLJIPLZWRKMISP-GBESFXJTSA-N 447.580 2.221 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)c1 1689828791 ROHDDTGUAJBVGA-RTBURBONSA-N 427.549 2.345 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N[C@H](C)CC 1689978546 YAYHYCNYXKGNMB-ZACQAIPSSA-N 432.569 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1nc(C(F)(F)F)cs1 1690025185 HXDYHRNFSCPGMD-UHFFFAOYSA-N 436.463 2.191 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ncnn1-c1ccccc1 1690031601 QAOPTTWLSCCFBW-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCNC(=O)c1ccco1 1690055488 XDKKKXGZPOUHPL-UHFFFAOYSA-N 435.459 2.482 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2([S@](C)=O)CC2)CC1 1690113459 KAVDTGHMWJNVCZ-KEEVHDRGSA-N 425.602 2.486 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1CC 1690206266 LDGIYFOMOXDLTB-MDPIYQRISA-N 449.621 2.429 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1690253166 NJAHYMNWHFBACG-OPYAIIAOSA-N 425.533 2.458 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690428292 LOCFEBJPLXXJGC-GOSISDBHSA-N 442.612 2.318 30 10 IEEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(C)(=O)=O)C1CC1 1690541321 WIQZPTCMWLNSBR-UHFFFAOYSA-N 425.942 2.311 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1690700253 PPAFVCVBBVDYJA-PLACYPQZSA-N 433.597 2.453 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1692856465 CLMRBYOJOVSBFT-LEWJYISDSA-N 427.484 2.309 30 10 IEEE CCO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1696003851 GKLZNTVKFHUFIS-RBUKOAKNSA-N 430.553 2.115 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1696586383 BWIPXXOUVDLDQD-AZUAARDMSA-N 438.532 2.212 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)NC(C)C 1705542197 AIDUYHCEMRGQEG-SFHVURJKSA-N 433.578 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)nc1 1705596623 JOMVEMKJJCDFIM-OAQYLSRUSA-N 434.544 2.263 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@@H]1C 1705598393 IOSRELSOIHRDCI-SFTDATJTSA-N 445.633 2.298 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705629048 WCXABXWZOJXJJV-HNNXBMFYSA-N 443.495 2.028 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1705645769 DRGGPOLHSMJKOX-UHFFFAOYSA-N 442.527 2.069 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCO[C@@H]1C 1705857110 PQJNZFGFBWBHPJ-UZUQRXQVSA-N 436.516 2.476 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705890740 FUFNMXXWAUGLMI-BSDSXHPESA-N 433.553 2.491 30 10 IEEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCOC1(C)C 1708273074 MIPBFIXHEZKECE-MWTRTKDXSA-N 438.532 2.211 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1709403921 IXBYWCKDBMMXCC-SNAWJCMRSA-N 438.532 2.426 30 10 IEEE CCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1710532603 ORNNOIFSHRFOFY-NFBKMPQASA-N 441.532 2.494 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1710768765 CWGUOCBXQGBZCV-RTBURBONSA-N 438.532 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1722291750 GQIXNAYSOBKQED-KRWDZBQOSA-N 449.559 2.466 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CC=CCC1 1722301902 OQJDUMUVOBVZTF-HSZRJFAPSA-N 447.631 2.363 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1722405921 RZVNYMGFCAEGQK-UHFFFAOYSA-N 429.326 2.092 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1nccc(C(F)F)n1 1722425645 GZQGUBLUJUEPCJ-UHFFFAOYSA-N 433.488 2.496 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1722509131 NOKOXAMTWOYOCX-OTWHNJEPSA-N 438.594 2.024 30 10 IEEE C=CCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722689648 ZWWOPKRDOAZOID-LJQANCHMSA-N 445.486 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722697364 ILKZREZJBRCUOP-UHFFFAOYSA-N 439.495 2.050 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 1722713606 IFQXZXFITTVSLG-BBWFWOEESA-N 448.568 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@@H]2C)C1 1722715363 OWXUJUUCCKMPCE-FXAWDEMLSA-N 442.520 2.355 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1722742916 KSKOBYQYCUYGNF-GOSISDBHSA-N 427.582 2.492 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1723077737 ODBZUJMANIXQTR-QFIPXVFZSA-N 441.536 2.298 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)N(C)C 1723246805 HSGSWWVWPDLGKI-PMACEKPBSA-N 437.548 2.434 30 10 IEEE CC(C)Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1\N=CC=CC1=O 1723271664 INSIYEBTARRTKW-VHEBQXMUSA-N 446.943 2.026 30 10 IEEE Cc1c(CN(C)c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1724113167 DVGVQBKTSYSPST-LSDHQDQOSA-N 446.515 2.150 30 10 IEEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1729157742 IVBCVZGFYLDUKK-QGZVFWFLSA-N 443.939 2.117 30 10 IEEE N#CC1CCN(c2nnc(CCCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1731187198 ZUPSHAZRZIDBHJ-IBGZPJMESA-N 435.532 2.182 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1740579742 SLNLSHPHSQZSSF-UHFFFAOYSA-N 439.516 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740630377 BUOBJCVMNJBZFL-MBSDFSHPSA-N 445.564 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N(C)C 1740653356 JXUBQWGSSLBASC-NHCUHLMSSA-N 434.544 2.004 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1740699432 GUNDKTOTUXOPGC-QFIPXVFZSA-N 449.603 2.460 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOC(C)C)CC1 1740700951 OOEBBBONLNPMFV-KDURUIRLSA-N 446.596 2.229 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCOC1 1740790627 UJHNTHVLUPKXLT-GOSISDBHSA-N 438.536 2.376 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 1740796694 CQNLGWIEKRXJQZ-WMZOPIPTSA-N 433.578 2.463 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740876107 OLLHTDBZDSAWSJ-OAHLLOKOSA-N 442.545 2.432 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1)C1CC1 1740907211 RVIVBRLRKDVKJD-UHFFFAOYSA-N 431.562 2.217 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N(C)CC)C1 1740977376 GKXGVLZBNQPGRI-QGZVFWFLSA-N 429.521 2.222 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1741206418 CYVPLSWVMBPVEU-AWEZNQCLSA-N 427.900 2.117 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1742172523 IKXBDDLCXZTPQZ-WOJBJXKFSA-N 441.532 2.398 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1748670621 BAHUMXXAJGQKSL-HRCADAONSA-N 444.557 2.018 30 10 IEEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1748698186 DGIMBAZOIXSESA-QGZVFWFLSA-N 449.552 2.442 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1748801844 HVSHNYVMBLFQDT-KRWDZBQOSA-N 444.557 2.022 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1748817937 SVVUMEKGKWTPMH-HXUWFJFHSA-N 446.621 2.313 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1748968756 KGGUIDDDHYQIFD-IIBYNOLFSA-N 434.924 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1749009244 HAEJLMDWZUVMQH-UHFFFAOYSA-N 440.592 2.160 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749219885 VXLNRYJTRWPDTI-XLIONFOSSA-N 438.536 2.375 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1749229150 HWWAQWCEPPNJMY-INIZCTEOSA-N 447.565 2.081 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1)C(C)C 1749552434 BNJIXJDNNOZWKH-QFIPXVFZSA-N 444.624 2.360 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749658509 RSDSIWCEYRXRFL-HXUWFJFHSA-N 436.560 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C)CC1 1749740810 KMRZXOBIKSXSMI-HXUWFJFHSA-N 445.589 2.365 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749760117 CDLXLAFUKJMXCF-MRXNPFEDSA-N 436.582 2.035 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1750009537 VJNFLMNIQXOLFN-FXAWDEMLSA-N 428.537 2.040 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1750378537 JYYWASINMQUGMT-UTKZUKDTSA-N 449.481 2.062 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1750504855 NXQYKGMHGUQVMQ-UHFFFAOYSA-N 445.568 2.445 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)cc1C 1751538510 WISABORCNLCBSW-INIZCTEOSA-N 447.499 2.327 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)n1 1751614145 HRJKZYKWJSXRNS-UTKZUKDTSA-N 449.481 2.447 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1760095577 SIORLQMTLUTUBW-AWEZNQCLSA-N 434.342 2.021 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1760151989 BWZLAHCCSZDTGE-SFHVURJKSA-N 442.564 2.356 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760183568 RNDTVIGWUCDHSS-IBGZPJMESA-N 449.621 2.404 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1760198530 DNHFTTAPFWCWPB-HXUWFJFHSA-N 443.559 2.114 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1760216113 AOSPQWBBQXZTGR-UHFFFAOYSA-N 441.539 2.391 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1nc(C)c(C)s1 1760248597 NWGLWLHVCMEAPZ-UHFFFAOYSA-N 442.545 2.408 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760260040 VAYKPPSCLDYRIM-INIZCTEOSA-N 429.594 2.125 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760275245 SQUISZDMFLVHJF-HZPDHXFCSA-N 444.536 2.137 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(C)=O)CC1 1760315491 FWITVQPUBNSDQO-RLLQIKCJSA-N 435.569 2.042 30 10 IEEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760426773 DFSAKINBPFMIEC-SFHVURJKSA-N 442.951 2.026 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760447380 JXQFTIQOOBJGNF-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE CN(C(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1766837561 GKJUUUQHZUGDBA-QFIPXVFZSA-N 425.512 2.497 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1769148536 KOFLKFXBBZCXIX-CQSZACIVSA-N 426.452 2.327 30 10 IEEE COC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1769247663 FKQYRZOODFICEK-IBGZPJMESA-N 425.537 2.190 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769570669 BQOVLWXWMGNVNA-FSSWDIPSSA-N 435.569 2.236 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)SC 1770040168 AUFJOYGYWMFLDE-DLBZAZTESA-N 445.593 2.347 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cc(C)cc(C)c1 1770221339 YRNBTJBELXXABG-TYPHKJRUSA-N 441.532 2.427 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cccs1 1771179135 OHTCPVQEKOFWGG-HNNXBMFYSA-N 432.550 2.234 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)OC[C@@H](C#N)Cc3ccc(Br)cc3)CC2=O)cn1 1848485257 OJJPQZBZNSKJSV-CABCVRRESA-N 431.290 2.461 30 10 IEEE Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 1848858291 OJTMCIYFRVXFCE-GOSISDBHSA-N 428.496 2.395 30 10 IEEE O=C([C@H]1CC(=O)N([C@H]2CCc3ccccc32)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851944014 GOEKDEQVRMKQEP-ZFWWWQNUSA-N 443.447 2.393 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1852112632 MADYLKYNHJGYDR-NFBKMPQASA-N 449.507 2.234 30 10 IEEE CC(C)[C@H](C(=O)N(C)c1snc(N2CCOCC2)c1C#N)N1Cc2ccccc2C1=O 1852381448 VUKHQPQJRCJJCX-GOSISDBHSA-N 439.541 2.495 30 10 IEEE CCc1c(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nnn1-c1ccc(OC)cc1 1853015162 PSUZTPLRPJXWKY-UHFFFAOYSA-N 445.423 2.322 30 10 IEEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCCC[C@@H](N(C)CCC#N)C2=O)cc1 1856388877 FMILYUOGHIISEO-LJQANCHMSA-N 435.546 2.002 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3Oc4ccccc4C3=O)sc2c1 1866223820 JYJLVEJZAZMOKJ-QGZVFWFLSA-N 429.479 2.343 30 10 IEEE CSCC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1867235147 OHCQRFSLFNTDJY-SFHVURJKSA-N 446.554 2.004 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCCC)cn1CCNC(C)=O 1870421526 COTSXQOENWOKIU-UHFFFAOYSA-N 433.549 2.271 30 10 IEEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCC2(CC1)OCCO2 1870580193 JQFQKZMMGFJCCM-UHFFFAOYSA-N 434.533 2.341 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN1CCN(C)CC1 1870716053 DEJPIZWTHTVJGS-UHFFFAOYSA-N 430.936 2.453 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cn(C)c2ccccc12 1874431344 PSLZBCFZZGOPNC-FOKLQQMPSA-N 441.561 2.249 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3csc4c3CCOC4)CC2)CC1 1889283222 ZODVCTVNTPGFDW-UHFFFAOYSA-N 431.602 2.083 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2009841830 CZTYDGUNNHLVCF-DNQXCXABSA-N 428.529 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCB3OC(C)(C)C(C)(C)O3)nn2)CC1 2060641465 JRZQFKKHAQUTSQ-UHFFFAOYSA-N 435.334 2.211 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2060781322 HXRGYBPKELAJHQ-REHUZNOOSA-N 440.544 2.106 30 10 IEEE Cc1cnc(NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224124525 JWZHPEVTIHSHQE-UHFFFAOYSA-N 433.358 2.331 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2227474874 SUZSZSIFPXGFJU-MDZRGWNJSA-N 425.323 2.043 30 10 IEEE Cn1cc(I)c([C@H](O)C(=O)C#Cc2ccccc2Br)n1 2235715370 ANIRURUAXCRPEO-CQSZACIVSA-N 445.054 2.441 30 10 IEEE C[C@H](NC(=O)CN(O)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2243679195 UGTOSUQLPATACN-NSHDSACASA-N 427.332 2.246 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2244004381 RRONXRKLUVOKFB-OAHLLOKOSA-N 427.542 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247831770 DMRWUOMOIACMLZ-XBFCOCLRSA-N 435.355 2.180 30 10 IEEE C[C@H](CO)N(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247912920 NRBYWZOELZAYSW-CQSZACIVSA-N 433.745 2.396 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248401112 FPHSUUQHDKLXFE-SWLSCSKDSA-N 440.371 2.110 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628398 HQGGGLANSBZCRX-UONOGXRCSA-N 434.346 2.275 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1 2255630768 OLHFTKWTODHZAG-UHFFFAOYSA-N 436.362 2.235 30 10 IEEE Cc1cnc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255865742 KUGRRTJMYZRBNC-ZBFHGGJFSA-N 431.342 2.332 30 10 IEEE CON(CCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255869940 GZRFLBJUWFCQSC-UHFFFAOYSA-N 435.330 2.299 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256629808 ZJMYEQCTFSBXFW-PBHICJAKSA-N 432.326 2.295 30 10 IEEE Cc1nc(NC(=O)[C@H]2C=CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256657121 BIXVPTLDINYOAS-OAHLLOKOSA-N 430.314 2.198 30 10 IEEE CN(CC(C)(C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2260458274 XYKWMBJAXIKLDK-UHFFFAOYSA-N 436.362 2.426 30 10 IEEE CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267119125 RMHJZYZKJYMNSN-GOSISDBHSA-N 441.385 2.001 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267147698 TXJKRJDKHRCLOC-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267180738 IJKVUMUYCRKMNP-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)n1 2267491592 FXUYLNAVPCBRTQ-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267816957 RQLGZSMKVXTZIC-INIZCTEOSA-N 447.385 2.498 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267871459 AVXZGKTWXJPKPT-CABCVRRESA-N 446.357 2.151 30 10 IEEE COCC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2268633834 UWSHLCBKYMCHJZ-UHFFFAOYSA-N 447.341 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268650123 HHPCLWNQELWWSY-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2268721522 MHJGOSBUMDXPCS-GOSISDBHSA-N 448.369 2.220 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271375327 KPCHBZDCBWFXDF-GOEBONIOSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278740754 YHJVFJRTRZSNCC-MAUKXSAKSA-N 444.347 2.244 30 10 IEEE Cc1ccc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282667695 UPUWSOVXGVTJJI-NRFANRHFSA-N 449.404 2.498 30 10 IEEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2CC=C(C)Cl)cc1OC 2293680502 YIGNKAHPQQXKBV-UHFFFAOYSA-N 432.868 2.441 30 10 IEEE C#CCCN(CC(=O)O)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2314900749 XETVBKXOPQCQOE-UHFFFAOYSA-N 443.544 2.482 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccnc1 2327826645 HUWPOGUQLXDMIH-MRXNPFEDSA-N 443.577 2.288 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)C=Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 2328155904 IUIKWRRXYZQMEE-GQWLDOHISA-N 449.482 2.187 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1 2328566142 FBQXKCIWOQPMBB-UHFFFAOYSA-N 427.486 2.138 30 10 IEEE CCOc1cc(C=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)ccc1O 2328610398 RFTHLJXHTAGTSG-UHFFFAOYSA-N 448.483 2.032 30 10 IEEE COc1cc(Br)cc(C=Nn2c(SCC(N)=O)nnc2C2CCC2)c1O 2331505771 OKKXUWBPOOJKQW-UHFFFAOYSA-N 440.323 2.482 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1C(=O)O 2331569480 DPJRMAKLOXQXHW-UHFFFAOYSA-N 429.458 2.006 30 10 IEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2342619033 SZSYMXLAEALPON-UHFFFAOYSA-N 449.357 2.329 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2342667836 UCKWENKHVGAGAW-UHFFFAOYSA-N 448.369 2.222 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 29821315 BWGGLKCEXXGCEQ-UNMCSNQZSA-N 443.931 2.483 30 10 IEEE N#C/C(c1nnc2n1CCCCC2)=c1/s/c(=C/c2ccccn2)c(=O)n1-c1ccccc1 33828972 YHFLIAIYQFPUDX-OKHRIHEDSA-N 440.532 2.163 30 10 IEEE N#CCCN1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)CC1 62040704 RTWUOQFRRGEMBF-UHFFFAOYSA-N 448.936 2.495 30 10 IEEE O=C(O)CN1C(=O)C(=O)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1[N+](=O)[O-] 102581194 GERHWCJSZRVCRO-CFBLSMTOSA-N 427.325 2.009 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 238863141 LDMZVIAKNGNFCR-KRWDZBQOSA-N 443.529 2.062 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C 460941157 WGKFZULRDVNCNM-FXAWDEMLSA-N 441.532 2.444 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 466611240 TYDURYZDADHSAZ-QGZVFWFLSA-N 428.537 2.361 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1 473779076 CDEDMPOGVALALY-UHFFFAOYSA-N 427.549 2.129 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(c4cc(OC)cc(OC)c4)C3=O)cc2C1=O 477356600 WVVGIFICDNXTEH-HXUWFJFHSA-N 449.463 2.021 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481574480 VESVZSARQLTFFG-HXUWFJFHSA-N 443.500 2.434 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cc1C#N 489524998 AJSFZIRRWVORDD-AWEZNQCLSA-N 432.933 2.379 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 494299920 HDIXFBXFOJLRBB-CYBMUJFWSA-N 433.452 2.140 30 10 IEEE COCCCS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 503968252 WYTVKYGXXXPVRT-UHFFFAOYSA-N 443.529 2.118 30 10 IEEE C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(C#N)cc1 504178730 PPANBWNAXMFOGE-CQSZACIVSA-N 434.543 2.201 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(NC(=O)CCN4C(=O)CNC4=O)cc3)CC2)c1 506311015 AGAPXQVSKXVKAJ-UHFFFAOYSA-N 449.442 2.248 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 508478932 VIYVUCOUOYWBHN-LJQANCHMSA-N 441.488 2.136 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508802265 PPSKLPKWAAWHAB-KRWDZBQOSA-N 436.476 2.437 30 10 IEEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508908710 VOPHAHUPWGWBIU-UHFFFAOYSA-N 428.606 2.445 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@](CO)(c4ccccc4)C3)C2=O)cc1 513914703 IQJDEGFTGSHUOU-PXDATVDWSA-N 446.507 2.316 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)cc1C#N 524127091 BQZMYADOYBTUIZ-UHFFFAOYSA-N 441.557 2.284 30 10 IEEE N#Cc1cccc(CS(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1 532858344 LUSOWRILFSUYRL-UHFFFAOYSA-N 433.555 2.103 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 549685654 RIIUCAAWESVDDP-IBGZPJMESA-N 426.565 2.365 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=C)C)CC1 558962325 ORZPHUDJPBEJKD-UHFFFAOYSA-N 438.576 2.474 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 564070707 FHINRZLCEIUNEF-OAQYLSRUSA-N 436.512 2.396 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)ccc1C#N 573651850 MTNAIHCYGBHUMN-XLIONFOSSA-N 427.549 2.089 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)nc1 608951713 TXPRQORFVACDLA-UHFFFAOYSA-N 447.520 2.400 30 10 IEEE N#Cc1cccnc1NCCNC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731400564 FMIVUCDRNIFQNE-KRWDZBQOSA-N 429.502 2.140 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C#N 732563191 TXPZDSDJPGBGRV-HNNXBMFYSA-N 431.521 2.105 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C[C@H]3c3ccc(Cl)cc3)CC2)cc1 743349110 RCBINRKFAYUMTI-FQEVSTJZSA-N 444.944 2.449 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 747375139 IPXOPXASFJCKKV-FQMKLWGBSA-N 438.575 2.140 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749428548 CUNDFRFJFQBSTJ-FYWRMAATSA-N 443.641 2.267 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@H](CO)c2ccccc2)cc1 750590971 MMYLJNQXRAADAK-OCLJWFPGSA-N 430.530 2.397 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@H]2CCOC2)C1 752848069 HHFJMCQNGIYVRE-DYESRHJHSA-N 428.468 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1 765357721 CVHRWYAUHJQOOA-IAGOWNOFSA-N 446.529 2.034 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccn(C)n2)c1 765546283 BBVIRHWOZUEIDA-SFHVURJKSA-N 445.508 2.352 30 10 IEEE CCOc1ccc(Oc2c(C=NNC3=NC(=O)C(=O)N3)c(C)nn2-c2ccccc2)cc1 765593714 OQLLXXXIPUHLEJ-UHFFFAOYSA-N 432.440 2.308 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790139630 NEKFINNEWIMZOB-QHCPKHFHSA-N 434.581 2.099 30 10 IEEE COc1c(C)cc(C)cc1S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793329743 VZUKDGCIDXGGKD-UHFFFAOYSA-N 432.502 2.202 30 10 IEEE COc1cc(OC)cc(C2(F)CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 802181250 AKHJKOZLGKVEOZ-MRCUWXFGSA-N 431.464 2.408 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 803525119 GPQRSFHCUBPUGZ-QFIPXVFZSA-N 440.565 2.391 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1C[C@H]1CCCO1 837818060 BMCIKIHRIAUATR-CYBMUJFWSA-N 434.290 2.017 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 1124383216 HZXZALVQYOMSBU-KRWDZBQOSA-N 427.526 2.279 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OCC 1132934665 ROZLQQDAMSVSCL-MDZRGWNJSA-N 438.546 2.112 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)n[nH]2)c1C 1136514622 NEXSLVHIGXFYBQ-UHFFFAOYSA-N 448.527 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 1141487079 PUHWCAWLTPLJNI-UHFFFAOYSA-N 440.500 2.327 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CC(=O)OC)c(F)c2)s1 1142471933 XTGFEQKJJHFVEC-UHFFFAOYSA-N 426.491 2.248 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc21 1144429521 WDTKNESZGQSWEA-MRCUWXFGSA-N 440.500 2.169 30 10 IEEE COc1nn(C)cc1CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1158912977 LUHQSFHDCLOIAU-GOSISDBHSA-N 425.489 2.451 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(CCC(=O)NCC(=O)c4ccccc4)CC3)n[nH]2)cc1 1171804630 GAQLZUFBZQENHP-UHFFFAOYSA-N 442.523 2.460 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C[C@@H]1O 1175714338 GPZPERLOYNXYSI-IBGZPJMESA-N 430.480 2.099 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286347909 DIXAUSMNGBSTDX-ROUUACIJSA-N 442.589 2.214 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286388491 PWDCHLKFXARBSE-SFHVURJKSA-N 433.578 2.204 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1OC 1286461767 WYPLAABMMRFGSK-UHFFFAOYSA-N 438.463 2.207 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN(C(C)=O)C1 1286466756 MQHWGQQAYPPCKY-LJQANCHMSA-N 427.524 2.353 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncccc2C)CC1 1286473919 VROXDNJMAGQQQI-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1286568533 TYQKUMLEDZOSDG-OAHLLOKOSA-N 434.566 2.297 30 10 IEEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1286601612 NFHGEJAXRYVYNM-BRWVUGGUSA-N 449.552 2.456 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1N1CCOCC1 1286785029 CJDSVNLJLVUNPP-UHFFFAOYSA-N 435.532 2.048 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286794037 UJBBRBBKTYHNOT-DLVOMPBQSA-N 431.581 2.096 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1290223575 IWNQCQIGDUGRJG-IBGZPJMESA-N 446.523 2.215 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCOC1 1296540717 VMWWVYZKIICOCP-NZQKXSOJSA-N 441.532 2.244 30 10 IEEE CCOCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1297460961 BRNASVBRXQGBHI-LJQANCHMSA-N 425.537 2.192 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(O)CCC[C@@H]2C)c1 1300332955 RLDOIUOVJPZHFO-BXKMTCNYSA-N 445.527 2.342 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2(O)CCOCC2)c1 1300334517 NYJMVUYBSGZPHU-UHFFFAOYSA-N 439.560 2.464 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1NC(=O)CC1(C)C 1300570091 XWMNKTDABYYVJX-FQEVSTJZSA-N 435.528 2.340 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCC2)CC1 1300685408 MTHWZXCSQBONIT-UHFFFAOYSA-N 430.350 2.378 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1300790040 FLVFEADPVBSKRJ-PBNUPURSSA-N 426.517 2.494 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1300863142 JCNHFSWYYFSOGY-RTBURBONSA-N 447.580 2.331 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1300983458 IUBWIRUVOZKZET-KRWDZBQOSA-N 431.541 2.375 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301187045 OGUREZOMBLVFJZ-SFHVURJKSA-N 438.580 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1301496866 JEHUKCILSVROOY-AWEZNQCLSA-N 445.936 2.330 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301617798 IHCFPNPSMKFYFR-GOSISDBHSA-N 442.589 2.375 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cccn2C)nnc1N1CC[C@](F)(C#N)C1 1302138543 WBLHLGRYOPHFPA-NRFANRHFSA-N 425.468 2.194 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1302164983 DIDKFORICSQLQQ-WJOKGBTCSA-N 443.573 2.360 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1302452524 VHVGYXFDJFRYRU-IBGZPJMESA-N 446.559 2.484 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CC(F)(F)F)c1 1302987941 UQTWDYNTVIIRJD-KRWDZBQOSA-N 425.436 2.394 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc1C 1304423906 ATRMMMKUEJYQOP-LJQANCHMSA-N 438.532 2.248 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1316098143 PNWLWERKEAGNIJ-HNNXBMFYSA-N 445.593 2.412 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1316474246 NAHHCHYFFPBJCN-UHFFFAOYSA-N 436.545 2.157 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)F)C2)o1 1316531938 VORIUUQOHPDGPY-CHWSQXEVSA-N 425.461 2.175 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc(Br)cc2C#N)cc1 1355053613 DTHLWKOUJKUENX-UHFFFAOYSA-N 436.331 2.266 30 10 IEEE CS(=O)(=O)Nc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1355235412 GVOZNTMKZCTQIY-HNNXBMFYSA-N 446.916 2.252 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1358904875 NKHBMCGLTSCGOE-APWZRJJASA-N 449.552 2.409 30 10 IEEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1358923124 CKRJPPNLDSQVAQ-LJQANCHMSA-N 432.532 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(S(C)(=O)=O)CCC1 1358980310 QJCYTHNXWHEQHL-UHFFFAOYSA-N 432.496 2.187 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1cccs1 1358980438 VEADISOXTCFNMS-UHFFFAOYSA-N 433.537 2.442 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2c(CC)noc2C)CC1 1359046243 JXPBXKKTXRDSOV-UHFFFAOYSA-N 447.543 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(-c3ccccc3)no2)CC1 1359047662 ONFKZHPBIXRPBL-UHFFFAOYSA-N 448.527 2.484 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(C)=O)CC1 1359076416 AZEYSBJOFRPBRL-UHFFFAOYSA-N 441.374 2.210 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1359245817 FUIYMUCTWMGXJO-JOCHJYFZSA-N 442.951 2.495 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)C1 1359311137 RKFRMRAHKPZFQE-AWEZNQCLSA-N 433.463 2.071 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCNC(=O)OC(C)(C)C)C1 1359321011 YTQFTPLFTACIGP-IAGOWNOFSA-N 448.568 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(OC)CC1 1359333807 KNKNSWOYUNLKIC-NRFANRHFSA-N 433.578 2.260 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359342876 GRUGYNMZVVCRSG-GVDBMIGSSA-N 427.640 2.018 30 10 IEEE C#CCN(C(=O)CN1CCCCC(=O)C1=O)[C@@H]1CCOc2ccc(Br)cc21 1435174031 CKIKAHWPEOQHQP-MRXNPFEDSA-N 433.302 2.316 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1452490241 RSLBBDJYRKVQAQ-UXHICEINSA-N 429.565 2.440 30 10 IEEE C#CCCN(CCOC)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1454011280 PRDZHIXUHJRWDE-UHFFFAOYSA-N 426.844 2.135 30 10 IEEE COc1cc2c(cc1O)CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1455857928 DMRJDZMKQGVKMI-SFHVURJKSA-N 434.452 2.062 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C 1469132011 BPICCPUQTCRJSE-CQSZACIVSA-N 438.550 2.035 30 10 IEEE CS(=O)(=O)c1ccnc(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1472891408 FPWPHMFKSZMTGX-BQBZGAKWSA-N 425.301 2.487 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493246129 PDRVOXUUXMIAGJ-JZRSTAGNSA-N 435.532 2.273 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1503633363 BXNILGCMTBRXJT-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1504886319 CLUFAVYEOIBEOP-FBAVSBLXSA-N 435.569 2.103 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCc2cn[nH]c2)CCO1 1505322504 PEFJFZVPSXAAOB-CQSZACIVSA-N 428.294 2.402 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1507524993 XKWYRKXLWVDVGX-QGZVFWFLSA-N 447.547 2.218 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507536405 BXZNFFVDDSNRMN-RDGPPVDQSA-N 435.638 2.395 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507631439 PPIIPCVPKCWTCB-FQEVSTJZSA-N 444.605 2.086 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1507645102 VCEXWDOLCHOXLN-ROUUACIJSA-N 430.516 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1noc2c1CCCC2 1507658526 LPTRTMBOHKVZCX-UHFFFAOYSA-N 429.484 2.303 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507957686 SWUACEOITJLWKA-INIZCTEOSA-N 436.557 2.112 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1507980055 GYSOREDQJCAQTO-MRXNPFEDSA-N 436.557 2.123 30 10 IEEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507986063 HJURBYFYJVTDGZ-KRWDZBQOSA-N 433.578 2.323 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1508084775 BZRGSFWKXPIFDW-UHFFFAOYSA-N 444.555 2.249 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508158002 CVHLKMQHMWPXDS-INIZCTEOSA-N 431.541 2.009 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1515681696 YFLWETGFRSIHDA-AUSIDOKSSA-N 438.532 2.212 30 10 IEEE CCSc1cc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)ccn1 1516880823 CKBXWMNLGPRPJA-RDJZCZTQSA-N 432.550 2.286 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ccccc1N1CCOCC1 1519168077 JJDLTTHUJMIXRG-OAQYLSRUSA-N 440.548 2.381 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cn2ccc(C)cc2n1 1519277663 ODHHSHMZRQMEEV-KKSFZXQISA-N 427.484 2.449 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOCC2)C1 1521063149 NREFMTOXMQSQSF-OAQYLSRUSA-N 434.466 2.311 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(-c3ccc(Br)cc3)n2)n1 1524968537 XIKJBTRJXKQVGY-UHFFFAOYSA-N 443.305 2.148 30 10 IEEE Cn1nccc1[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)OC(C)(C)C 1531280971 KJJGETYRVXOVON-HNAYVOBHSA-N 427.480 2.456 30 10 IEEE CC1(c2ccc(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc2)OCCO1 1531557861 IDLUARAEZYXKQZ-HXUWFJFHSA-N 448.479 2.299 30 10 IEEE C=C(CC)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1536092004 FKMKHRFTDVXTKO-UHFFFAOYSA-N 434.562 2.092 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCC[C@@H]1C 1539153706 IYJYMUXPEZXLJQ-YCRPNKLZSA-N 430.578 2.167 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1539216508 TVLSWQSFHPCUNS-INIZCTEOSA-N 445.495 2.421 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1539261148 ZFBZQHMQSKTYAA-GOSISDBHSA-N 429.528 2.399 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539438492 YNQOWQDRJRUTDA-UHFFFAOYSA-N 441.601 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539477444 MTPQEBCODJLGNY-XDHUDOTRSA-N 438.576 2.411 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1539538672 LJIWPKRYXJHDHU-KSFYIVLOSA-N 445.589 2.156 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539627665 KTFMWJQZLLYPBR-JTJHWIPRSA-N 443.596 2.205 30 10 IEEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539984709 ADVYJWUHTPCFEW-UHFFFAOYSA-N 440.548 2.093 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1540170771 QEFQSZYEUPXBDW-LJQANCHMSA-N 439.516 2.251 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1540889752 SYDWYYWCIPDNHX-CVEARBPZSA-N 437.470 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C 1540908185 CPWZKXSBEAEJFK-KRWDZBQOSA-N 447.609 2.072 30 10 IEEE CC(C)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1541488397 OMPXUVOYNAUVFB-QQMHEVNUSA-N 436.520 2.134 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(c2ccncc2)CC1 1541806080 DHIZSFKTNYGFEN-SFHVURJKSA-N 436.564 2.450 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H](C)O1 1544712935 FJVWEOSLXYKKKN-HZPDHXFCSA-N 429.546 2.398 30 10 IEEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C 1547836438 DPCCEOPTZRNABI-PMACEKPBSA-N 440.548 2.219 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(C#N)C1 1548334336 GGUQJZJHBIGOHC-NRFANRHFSA-N 441.561 2.276 30 10 IEEE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1565656316 WYHBONWMYUDDEZ-UHFFFAOYSA-N 433.468 2.129 30 10 IEEE COc1cc(/C=C/C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(Br)c1O 1566443744 XGRPSZWFHSPKOS-AATRIKPKSA-N 434.294 2.445 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1F 1585446075 PAUSTRIKYJMDRK-IBGZPJMESA-N 429.473 2.375 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCN(C(C)=O)CC1 1587593402 KDUIMCKDSMRHJN-OAHLLOKOSA-N 432.931 2.360 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2nnc(C)s2)c1 1587696775 ASXLJTAGQILOSN-UHFFFAOYSA-N 425.518 2.079 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1587711845 HWSBYHCMNZXXRM-GOSISDBHSA-N 438.532 2.322 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1588044925 CWCWGBLWOKGARG-MRXNPFEDSA-N 427.555 2.385 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1589110004 NCZWKTCJEKGPCS-MRXNPFEDSA-N 446.602 2.110 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1594624940 CNYFYZIXPZCYLZ-OOSNJVJTSA-N 438.594 2.309 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1594895674 MVYQJPJLLAGSKY-UHFFFAOYSA-N 430.578 2.080 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1595141784 LCPCPBQTVAYMSB-RTWAWAEBSA-N 434.562 2.336 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1595544872 NLHOOWXEPDEJSN-IEBWSBKVSA-N 429.521 2.253 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1595816905 HRYCAZTVWPOKJS-GOEBONIOSA-N 443.363 2.004 30 10 IEEE CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N)N(C)C 1603200506 FGXGNMAHNSSJOJ-YLJYHZDGSA-N 436.568 2.493 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1610053810 BCOICEXEOQGOAK-FQEVSTJZSA-N 433.516 2.258 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1611740669 KBBZZLHLIPMQNJ-WBAXXEDZSA-N 442.495 2.201 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCCC[C@@H]2C)CCOC1 1616264043 UHBSZSVMYUNCSX-MIZPHKNDSA-N 446.596 2.314 30 10 IEEE CCN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O)[C@H](C)C#N 1620448532 LAHIHOGKFMFYKH-JVVDOCDTSA-N 446.529 2.090 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCN(Cc4ccc(C(F)(F)F)cc4)C(=O)C3)nc12 1620470993 BHZVLPIPOGEXPN-UHFFFAOYSA-N 430.390 2.170 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1624729718 ZXHHKNSWITVTIE-VGOFRKELSA-N 429.521 2.016 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1636699227 FXXMHUCDTTWRCO-FQEVSTJZSA-N 430.526 2.425 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)s1 1637306635 LXUKKPKVPLPPBE-CYBMUJFWSA-N 428.482 2.153 30 10 IEEE C#C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)C1 1639240292 DIWTYCRMLFZQSL-HNNXBMFYSA-N 439.559 2.493 30 10 IEEE COC(=O)[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC1CCCC1 1640253764 JKVNZPIQZZCBQM-MJGOQNOKSA-N 440.500 2.249 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)cc1 1640672659 KITPXOZIFQXULB-WAIKUNEKSA-N 440.521 2.294 30 10 IEEE Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1645990718 BHFUDCPCDJYFJC-OXJNMPFZSA-N 432.933 2.212 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](c3ncc(Br)cn3)C2)nc1 1648311657 KYSRAVHIWFWNEW-CQSZACIVSA-N 436.335 2.159 30 10 IEEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ccc([N+](=O)[O-])c1N 1650442942 ORIUNAHQVOIABF-UHFFFAOYSA-N 427.486 2.048 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@]2(CCO[C@@H]2C)O1 1655215424 CDRCMTPUPXGOOW-UVWXRNBGSA-N 433.299 2.417 30 10 IEEE COC[C@@]1(C(=O)OC)CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1659566941 KIIRYGFIQDQFNI-HXUWFJFHSA-N 426.435 2.217 30 10 IEEE C=CCCSCCNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1666787436 AAEWYIGNECHRBN-UHFFFAOYSA-N 426.608 2.444 30 10 IEEE CC#CC[C@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1670411524 NNIVXUSFJHWLFV-QGZVFWFLSA-N 447.513 2.400 30 10 IEEE CO[C@@]1(CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CCSC1 1676232555 VUYSSICAZAGDSF-OAQYLSRUSA-N 428.562 2.389 30 10 IEEE CNC(=O)[C@@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)Cc1ccc(F)cc1C 1682263299 NACKWBPTFQLXET-HXUWFJFHSA-N 437.519 2.442 30 10 IEEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1686055647 LXXCUYJOBPGIFR-IGQOVBAYSA-N 448.442 2.128 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1689980439 RRLFDLBJNNTQAZ-LJQANCHMSA-N 444.605 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCCC1 1690034254 BOWRBQVMKKZRBO-XMMPIXPASA-N 441.576 2.186 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCN(CC)C2)CC1 1690148827 WMHZLVDNEDFWCR-OAQYLSRUSA-N 448.615 2.485 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1690299105 FICWKODQDMDDJK-UHFFFAOYSA-N 433.582 2.101 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690311771 TZFDJMRQISWHTG-PMACEKPBSA-N 429.569 2.500 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C(CC)CC)N(C)C)CC1 1690364434 QJXZWYKCRIDJCP-SJLPKXTDSA-N 426.631 2.411 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNS(=O)(=O)CC)CC1 1690369583 PXWCFQMSCANYTG-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCN(C)C2)C1 1690687721 IDGWGYCTTJWZHE-AVRDEDQJSA-N 449.502 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccccc1C 1690723225 LJIPCVOTDKIQGQ-SJLPKXTDSA-N 431.562 2.336 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCCC2)CCOC1 1692596997 XZAXYSVALIFMDE-GCJKJVERSA-N 433.553 2.133 30 10 IEEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCSCCCO)CCO2 1693883885 MHNYQQHDYMEQPP-JTSKRJEESA-N 443.573 2.317 30 10 IEEE CN(OC1CCCC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1696845366 IDHQMHWYQCOWDZ-MRCUWXFGSA-N 437.504 2.101 30 10 IEEE COC[C@H](F)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1697781044 FFAXLSHRVOWQOG-ARFHVFGLSA-N 440.520 2.309 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705559782 BJKAXPHQBLYSOF-PXNSSMCTSA-N 436.965 2.386 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1705569460 HMWDEIKJCMRVAV-IBGZPJMESA-N 446.548 2.191 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N(CC)CC)CC1 1705633896 BEHSAPVSZHTGKL-GOSISDBHSA-N 425.537 2.339 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705685825 JXCSVUUQMLJKPD-BFHYXJOUSA-N 435.388 2.339 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705735553 APMLTKGFPZSFJI-UHFFFAOYSA-N 438.536 2.255 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705757956 DZMJEPQCWLOESD-UHFFFAOYSA-N 446.914 2.255 30 10 IEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1)C1CC1 1705857764 AQKUPINYKWUOAD-UHFFFAOYSA-N 427.530 2.461 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1705905802 HOCDNQYTWFXUJX-JOCHJYFZSA-N 446.555 2.404 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1705906941 UHUFNMCTSVYLSD-IBGZPJMESA-N 426.565 2.307 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1706744490 MZTSSPSELCUUNF-ZOCZFRKYSA-N 425.493 2.002 30 10 IEEE Cc1ccoc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1707021443 BWIGWTKMTZFDMQ-MRXNPFEDSA-N 427.486 2.027 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1)N1CCOCC1 1708234212 JKKPWDKGUPUHKO-IPMKNSEASA-N 440.548 2.063 30 10 IEEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1F 1708788108 FADFXIJEKUSTOH-DLBZAZTESA-N 425.468 2.404 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1711015943 UHPWGNCNLZUUCL-HXUWFJFHSA-N 434.548 2.122 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1722361739 OXBLTWJIZJBIAL-LPHOPBHVSA-N 439.541 2.002 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc(C(C)(C)C)s1 1722421561 MGBFWXPFGKVGKC-NRFANRHFSA-N 448.593 2.214 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722465889 VXFGPVQIFMMHLG-QGZVFWFLSA-N 438.557 2.152 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722603437 IXVRMKCDSKHKSU-UXHICEINSA-N 430.597 2.271 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1723769685 MZOQYTXNCCGATI-MAUKXSAKSA-N 446.939 2.405 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)N(C)c1ccccc1 1723854293 FBBINBIZVOUBOA-JTSKRJEESA-N 425.512 2.367 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1[C@@H]1C[C@H]1CF 1723959486 CZFFHFJBKYLYMT-QRIFCXAISA-N 432.525 2.162 30 10 IEEE CN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1729428002 IGCFRIQPXPLMAG-QZQOTICOSA-N 449.540 2.488 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1729570603 YIFJLSJEDGXMSQ-OSCRUYLVSA-N 438.536 2.077 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740575499 OLEXAGUJRAAPTM-JTSKRJEESA-N 428.537 2.138 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)C 1740678473 CUTKEVKGPSUWAH-UHFFFAOYSA-N 445.502 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)nn1C 1740680859 PXUXRNGRXBNHAT-UHFFFAOYSA-N 432.326 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1740701656 NXZGDUCWQTZANG-PGRDOPGGSA-N 446.555 2.455 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1740875297 ZMSSDUWWBJBNAZ-INIZCTEOSA-N 435.532 2.121 30 10 IEEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1740890376 WMNJZYGCPNJELP-KRWDZBQOSA-N 439.568 2.388 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740950703 DOACBKQQZPHLSF-MRXNPFEDSA-N 438.523 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1740992310 OTPIJKOLXFASNI-VQTJNVASSA-N 446.573 2.351 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CC1 1741085628 DVTALYUEHKBWAG-QHCPKHFHSA-N 434.500 2.422 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1741088700 OVIADVHEDJHNLZ-NRFANRHFSA-N 436.516 2.179 30 10 IEEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1741374465 CQKHXQNNRPDUBE-WNRNVDISSA-N 446.552 2.155 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCSCCCO 1747728875 GNRIYNHNLSYCLO-UHFFFAOYSA-N 428.562 2.138 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1748549907 RMDYTHLNPWDFMO-GFCCVEGCSA-N 426.864 2.432 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748703601 ULKDTUSDSNGYNK-NRFANRHFSA-N 441.532 2.107 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1748710205 JRMRGMDCEOBZFG-LJQANCHMSA-N 426.590 2.459 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCCS(C)(=O)=O 1748946951 VMUZVRRKVWKQQA-UHFFFAOYSA-N 441.532 2.478 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)c(OC)c2)CC1 1748971357 MVMZNCXWAANBBI-UHFFFAOYSA-N 438.576 2.317 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cc(C)on2)CC1 1748971545 UVXQFXXQPMCERW-UHFFFAOYSA-N 433.516 2.247 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2cnnn2)CC1 1749317058 NONJZHUZVNSIHG-CALCHBBNSA-N 443.556 2.282 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1749457793 QSAOUUUELPAGHT-MRXNPFEDSA-N 426.583 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1749659386 AUXVIJUWUFOFNE-IRXDYDNUSA-N 427.505 2.022 30 10 IEEE CS(=O)(=O)NCCCn1c(N2CC[C@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1750215990 KAVOKRBATOUEQS-FQEVSTJZSA-N 446.552 2.129 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1760110790 HIEGZIOASVWYDP-KRWDZBQOSA-N 449.559 2.295 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760185363 WJDHHCCUHBTJHW-HXUWFJFHSA-N 427.574 2.056 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOCC)CCC1 1760289259 NJGXEYAQCUGFOM-YLJYHZDGSA-N 437.610 2.477 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC[C@@H]1C 1760514816 GAVSJKTUZRXFRN-LBPRGKRZSA-N 437.342 2.342 30 10 IEEE Cc1ccccc1-c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762074758 LICBCGDNDNGLLD-VZCXRCSSSA-N 436.516 2.395 30 10 IEEE CCNC(=O)C1(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1767200620 VQJRFQVXOWCPDI-JTSKRJEESA-N 432.569 2.221 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768633799 IRPJJPLTLGPJMD-KRWDZBQOSA-N 436.497 2.201 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)o1 1770739822 BAUNQVXSZWXEEJ-CQSZACIVSA-N 436.394 2.090 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)N(C)C 1771216224 BKLZNSAYUAYDMM-RTBURBONSA-N 441.580 2.150 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CCC1 1771224370 JMYDYKPHPDGTOW-PXNSSMCTSA-N 441.532 2.367 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](c2ccccc2F)N2Cc3ccccc3C2=O)NC1=O 1851550121 ZLHOLLSPUWSUAG-IBGZPJMESA-N 448.454 2.234 30 10 IEEE C=CCOc1cc(OCC=C)cc(C(=O)N2CCC[C@@H](n3ccc(=O)n(C)c3=O)C2)c1 1852794786 FWMWERITAPSZSC-GOSISDBHSA-N 425.485 2.154 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(Cl)n2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854525751 UQFREPBRFOXHDL-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE CCC[C@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OC1=O 1856225872 VPYOZIRGKHIREL-DLBZAZTESA-N 437.493 2.445 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871535106 MENCDWMXXQONQD-UHFFFAOYSA-N 425.537 2.170 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2cc(Br)cnc2C#N)(C(N)=O)C1 1903179987 UHEPJEZXNWZJTK-QGZVFWFLSA-N 425.283 2.350 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 1991983416 HRTYJAYYGJXCIY-AWEZNQCLSA-N 425.526 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N=c1ccc(I)n[nH]1 2010327267 HNEGTQHEIJZEJH-JTQLQIEISA-N 445.261 2.029 30 10 IEEE C[C@@H](C#N)N1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2010542204 CFYJVVKJZOWTMI-AZUAARDMSA-N 429.565 2.068 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)C1 2011681787 MYAOIXGNAVRTMK-CVEARBPZSA-N 439.553 2.334 30 10 IEEE CC(C)(C#CC(=O)NCC1(O)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C 2023918461 WJDPQTRATBRKSI-UHFFFAOYSA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3C[C@H]4C(B5OC(C)(C)C(C)(C)O5)[C@@H]4C3)[C@@H]2C1 2124521853 LTRXKVAXWIMWMD-BIVLZKPYSA-N 448.369 2.419 30 10 IEEE N#Cc1ncc(Br)cc1N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2176943964 ATJGICAVXPFSNN-UHFFFAOYSA-N 433.228 2.068 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773387 JDUFNNKUXHEQBZ-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247906461 NQZDDAJRSDDONG-CHWSQXEVSA-N 437.371 2.475 30 10 IEEE C[C@H](COCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2248398666 VVCYLVNEOTVIJL-GFCCVEGCSA-N 441.359 2.311 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255669329 MVIBVNVWMADFHV-IRXDYDNUSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]c(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n1 2255669404 NTYAGELELFIFFC-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2255769920 NTSPKSXJGGLAFL-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCCNC(=O)OC(C)(C)C)n1 2255821561 DMAJSNRZAKAMEP-UHFFFAOYSA-N 435.330 2.265 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258890136 BMIKDNNBWUHWGB-HIFRSBDPSA-N 434.346 2.227 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267547730 AWWZXDZNWXTSGF-HNNXBMFYSA-N 448.373 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267875668 IFGPQHNLCFLDGU-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268632466 KQWQXWAVIOEPNC-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268635485 RJVMLMQIYKYDNP-UHFFFAOYSA-N 447.341 2.345 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 2293308505 QVXIAZIZKQUEDW-QHCPKHFHSA-N 442.537 2.355 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccco1 2297740776 JDQNXTADTNCMJZ-IBGZPJMESA-N 441.440 2.332 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2328368985 NMFMULFBXNVAQZ-UHFFFAOYSA-N 442.457 2.234 30 10 IEEE C#Cc1cnn(C2CN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)C2)c1 2339483988 KIFUQVDPJRRKGF-VWLOTQADSA-N 449.555 2.417 30 10 IEEE COc1ccc(NC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)c(OC)c1 20618089 AFGJIWNPBVDDEM-FUHWJXTLSA-N 447.538 2.446 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 59412189 ZSFVBLNBQZJYFL-FXAWDEMLSA-N 437.496 2.316 30 10 IEEE CC(C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(F)cc1 60339090 HLNCDECSEWBHEB-UHFFFAOYSA-N 444.532 2.445 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1sc2c(c1C#N)CCCC2 441197213 HICYXYJTFHWUAU-OHDICMOHSA-N 445.541 2.252 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NC1(CNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 446593734 BOGMSHQGEIVNCM-SJORKVTESA-N 432.480 2.430 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 461299527 HYJBQCGJFVGOCK-UHFFFAOYSA-N 442.541 2.092 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C(C)C)c1=O 478755628 NXOMCTGKGKVSIV-UHFFFAOYSA-N 449.580 2.260 30 10 IEEE C[C@@H](C1CC1)n1nccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 482437520 DOVPIFPYWFXYEC-HNNXBMFYSA-N 428.518 2.264 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cn4cc(Cl)ccc4n3)C2=O)cc1 505322712 KMSLBLDQHJFIOG-KRWDZBQOSA-N 436.859 2.381 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)Cc4ccc(C)cc4)CC3)cc2C1=O 506379256 BFEGYVSEMJLXPY-UHFFFAOYSA-N 431.492 2.304 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@H](OC)C1 508848300 YDPFKUGDNVRQPX-PZJWPPBQSA-N 438.576 2.283 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 508944563 FTQCDZPTTDOCOJ-QGZVFWFLSA-N 446.983 2.448 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 514522428 SBHASJACKKROJZ-SFHVURJKSA-N 446.528 2.483 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)n1 541103529 QAFCDUWMKQBLOO-HNAYVOBHSA-N 449.920 2.255 30 10 IEEE COC(=O)c1cn([C@H]2CCCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)nn1 546586737 FSIVEYOEIXXXSD-STQMWFEESA-N 428.518 2.151 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1c(F)cccc1F 571249305 HHKTVKVOJWTGGV-UHFFFAOYSA-N 425.413 2.366 30 10 IEEE C[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)N1C(=O)c2ccccc2C1=O 589832566 YWVYTVPMWRAFGM-OAHLLOKOSA-N 442.479 2.060 30 10 IEEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(C#N)ccc3C)CC2)c(OC)c1 609632028 CGRZNNHSHOTLER-UHFFFAOYSA-N 443.525 2.467 30 10 IEEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 614902414 AGXBRHZOMRJSTM-QGZVFWFLSA-N 426.538 2.216 30 10 IEEE CN(C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1)c1ccccc1 732796802 IKLXYXNZKLCVST-UHFFFAOYSA-N 441.516 2.058 30 10 IEEE O=C(NC[C@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1)Nc1cccc(F)c1 735855844 AGGPIVZZSLCWBD-MSVBSMQLSA-N 443.479 2.102 30 10 IEEE CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741339640 HPJBKISCJVXENL-QURGRASLSA-N 429.517 2.121 30 10 IEEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C#N 746959540 LXJPLDPPDJTNDY-UHFFFAOYSA-N 444.387 2.487 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 747971620 QEOQYXWJROSGFA-SITPEIFSSA-N 434.440 2.030 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)ccc21 759392833 RHBRRZXBBNHDFX-NRFANRHFSA-N 432.480 2.396 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)ccc21 759409451 LUKGGFMBSUBKAB-AWEZNQCLSA-N 440.525 2.442 30 10 IEEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1=O 764751907 IHDUFYHYEOLECO-NSHDSACASA-N 426.260 2.421 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766611622 DAJBBBNTQVNYLS-AWEZNQCLSA-N 435.864 2.350 30 10 IEEE C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 769838302 HNCXLDXBRPXXRQ-MDBUFAAASA-N 429.498 2.155 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 781046975 KWKQMGYPLQJYLW-QGZVFWFLSA-N 435.546 2.118 30 10 IEEE CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NC(=O)C1(c2ccc(C#N)cc2)CC1 781441217 FIBUAGCTQYIRLY-UHFFFAOYSA-N 427.482 2.452 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)nc1 782030119 HTGHKMCZYLZEQQ-KRWDZBQOSA-N 449.330 2.185 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 788693478 DROUVISXFPKQBP-UHFFFAOYSA-N 446.407 2.281 30 10 IEEE C#CCN1CCC(C(=O)N[C@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)CC1 789721379 RMBYCVVZKOBBFB-SFTDATJTSA-N 439.556 2.132 30 10 IEEE Cn1cc(-c2cc(F)ccc2NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 794135260 SJWXVYKHMGZPAY-UHFFFAOYSA-N 427.461 2.294 30 10 IEEE COC(=O)Cn1cc(C=NNc2ccc(S(=O)(=O)NC(C)C)cn2)c2ccccc21 794896238 JQXWEJLZMZWUQH-UHFFFAOYSA-N 429.502 2.342 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 804453808 JYULLVKSVMQUIG-JOCHJYFZSA-N 439.581 2.052 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2noc(C(F)F)n2)CCC1 816925402 NJYXZVUEBQMELV-UHFFFAOYSA-N 439.444 2.022 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 916177914 DUZSUPXXRSNIGI-UHFFFAOYSA-N 444.557 2.162 30 10 IEEE CCOc1ccccc1C(=O)NCCCC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777629 NOYCGXXUSZMQNY-UHFFFAOYSA-N 429.498 2.113 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 916777823 WAOQEKXTRSDCCR-UHFFFAOYSA-N 438.914 2.164 30 10 IEEE CC(C)(CN)C/N=C(/Nc1cccnc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 1088653148 VOIRLOSYRLIBCF-UHFFFAOYSA-N 435.576 2.263 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1130904066 FWRGQYJKOMIJHM-NQIIRXRSSA-N 433.574 2.404 30 10 IEEE CSc1ccc(CNC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1C#N 1133725889 YZAXOPVVLVGNMI-NRFANRHFSA-N 445.566 2.351 30 10 IEEE Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1142437688 AKCVJGVFIZHPHG-RHSMWYFYSA-N 435.546 2.237 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2cncnc2[C@@H](C)C1 1153034014 MOJYMVWDWGJYBK-YOEHRIQHSA-N 427.530 2.220 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccncc1 1169736423 RMQVGAJDDSYMSL-JYJNAYRXSA-N 441.912 2.199 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[C@@H](C(F)(F)F)O1 1197484200 VVCYSZRMTXKJAI-VYDXJSESSA-N 430.496 2.499 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 1201840747 WDCUSQNHHMSLMJ-UHFFFAOYSA-N 426.477 2.357 30 10 IEEE C=CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CC1 1219364511 CWEUTRCVIJZMFL-UHFFFAOYSA-N 436.578 2.042 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 1228754387 NTOFWWVRZHQCMQ-RXVVDRJESA-N 446.617 2.012 30 10 IEEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)n(C)n1 1264724427 SNBRIPLFFOHERY-PTGBLXJZSA-N 447.517 2.052 30 10 IEEE N#Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cccc1OC(F)(F)F 1275548885 BTCVRVBFYVLTKS-UHFFFAOYSA-N 445.375 2.323 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCNS(C)(=O)=O 1286344615 ROYDJKKRWNVVOT-UHFFFAOYSA-N 425.942 2.006 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(n1)CCCC2 1286460794 JRGHLYKMRUMBSM-UHFFFAOYSA-N 445.527 2.334 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286475743 HQERVJLMHVIRJZ-XLIONFOSSA-N 429.952 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)C2CCCC2)CC1 1286495382 ZTSUVKQURGAVCG-HXUWFJFHSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286506781 NDYMMKUNSFDDNM-GOSISDBHSA-N 435.594 2.453 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286632945 AWYKQGBUGMNABC-ZWOKBUDYSA-N 425.961 2.056 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286712396 XXPZQWFCNHYJBS-SJORKVTESA-N 432.525 2.459 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1 1286714176 NACOSEBXAPOIFO-UHFFFAOYSA-N 445.593 2.166 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286790297 MOSAQZRUONYYLB-GLDPYIMESA-N 439.560 2.138 30 10 IEEE C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1291641617 QGHKWPLEMGJDNV-FXAWDEMLSA-N 432.565 2.312 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300358569 YUVAXHBLQLWSQJ-DENIHFKCSA-N 437.592 2.456 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)CC 1300605960 CYGHTHMOPCRLSH-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE CN1C(=O)[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)Cc2ccccc21 1300636675 QRDXWVODWZYLJM-LDMCVSKHSA-N 438.528 2.477 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC 1300922535 KTPANZHJZYEAIV-HRCADAONSA-N 426.510 2.189 30 10 IEEE C#CCC1(O)CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1303026192 LDMLMSDUOZPRSG-UHFFFAOYSA-N 433.302 2.202 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1305743357 YNHDEJIPXIOENW-GCJKJVERSA-N 430.553 2.275 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(CC(=O)OC)Cc2cc(Cl)ccc2O)c1 1307538919 INJMAHMXPVTNIK-UHFFFAOYSA-N 429.860 2.350 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc1 1310196409 PAOOJQSVYXIIPR-UHFFFAOYSA-N 437.504 2.060 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)C1 1314964614 GFCARROPUVYZBC-XMMPIXPASA-N 444.543 2.288 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C#N)o2)CC1 1316140577 PEDRJHKSPVRXAJ-UHFFFAOYSA-N 436.516 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@@H](C#N)C1 1355540518 LBMJUMDBTFLTSR-ZDUSSCGKSA-N 432.433 2.341 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1358910626 WIOXYJRIXURLOF-KRWDZBQOSA-N 448.527 2.385 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1c[nH]nc1C 1358940153 PDDAULHMJPJEJE-UHFFFAOYSA-N 440.577 2.280 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC(=O)NC1CC1 1358971140 JLZGAMRHLRRNGE-UHFFFAOYSA-N 427.512 2.467 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(c2cccc(F)c2)CC1 1359027138 XNKWTAAWFPMGAW-UHFFFAOYSA-N 425.508 2.357 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1359060127 LMJKUCHSWLUMAM-LJQANCHMSA-N 443.548 2.484 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(=O)NC)C1 1359076470 CGJLAYVAZRQLAN-ZDUSSCGKSA-N 441.374 2.068 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)CC1 1359159516 YBFLXNPYFIMCFT-INIZCTEOSA-N 431.562 2.222 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359216024 NRMXSVVVEHGTJK-OAQYLSRUSA-N 438.576 2.187 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1359261111 WWEAKLDWZZTYOW-GOSISDBHSA-N 444.536 2.294 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCC(=O)NC 1359296026 UTVSPEZKBFEBCH-UHFFFAOYSA-N 425.320 2.126 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1359300133 UVIDUNIMQDPRRL-SFHVURJKSA-N 428.493 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1359333069 NKGZUEPIMJXZOU-QUCCMNQESA-N 446.573 2.431 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1359343411 SHJZATWAJPIHAE-KRWDZBQOSA-N 441.667 2.410 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1359623784 FNQHONFXNNXFCR-UHFFFAOYSA-N 447.547 2.240 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1360603516 IBEMZAZGVQCDRK-DLBZAZTESA-N 430.940 2.296 30 10 IEEE CN1CC[C@@](Cc2ccccc2)(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1447623826 BPTSTHVEMHMFPF-SQJMNOBHSA-N 430.508 2.261 30 10 IEEE N#Cc1c(CCCNC(=O)c2cncc(N3CCCC3=O)c2)nn(-c2ccccc2)c1N 1464065757 KGKMIOXWVYDFGI-UHFFFAOYSA-N 429.484 2.211 30 10 IEEE C#CCN(CC(=O)NCCNC(=O)c1cccc(Br)c1)C(=O)OC(C)(C)C 1464702874 BWMSHXAPUICCCJ-UHFFFAOYSA-N 438.322 2.165 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](N4CCOCC4)C3)C2)C1 1468182633 VHWKCSYZWSYPRM-CXVUKDAWSA-N 432.565 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(OCCO)CCC(F)(F)CC2)C1 1469729399 MABMOPMTIWMPLV-CABCVRRESA-N 446.495 2.002 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1469984395 WTLUDABQCDTSFZ-INIZCTEOSA-N 434.590 2.011 30 10 IEEE N#Cc1cn(CCNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c(=O)nc1O 1470366323 ZIONEDATTMMQSX-UHFFFAOYSA-N 435.387 2.393 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)cc1 1471158652 VEXYSAXHDNKPRY-QXAKKESOSA-N 446.326 2.054 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 1471451392 RQTQXDLQNFFBAO-UHFFFAOYSA-N 435.590 2.213 30 10 IEEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 1475418315 FRJXOOOOFRKGFG-LBPRGKRZSA-N 447.460 2.456 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 1475842523 TZBGSFKBKQUARO-SFHVURJKSA-N 431.562 2.157 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1505129471 GGIAIAQHSRHDKX-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)F)c(F)c2)CCO1 1505321530 BWLQZUZFPWPKTH-CYBMUJFWSA-N 431.378 2.253 30 10 IEEE C#CCCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507575767 WCKPPWIZTHGLHI-DEOSSOPVSA-N 445.608 2.282 30 10 IEEE C#CCCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507599238 MFQRZKIERTXOOW-ZACQAIPSSA-N 431.537 2.462 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccc(C)c(F)c1 1507620439 GQXGYVLBVBRTMA-UHFFFAOYSA-N 445.502 2.464 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1507691744 MSLRINSKVPDSHO-ZWKOTPCHSA-N 431.537 2.391 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1507692117 SVZNQAMDRKKQOQ-OAQYLSRUSA-N 439.560 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1507737620 CVZVAFGUBWYAEP-UHFFFAOYSA-N 444.580 2.378 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1507955001 UCHJPEIURUICFK-KRWDZBQOSA-N 439.607 2.318 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(CN2CCOCC2)CC1 1507960148 LMNKPLUHXMIUDT-UHFFFAOYSA-N 428.581 2.425 30 10 IEEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1508020466 HZCRMVJSNDYHSL-UHFFFAOYSA-N 445.325 2.370 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](OCC=C)C1 1508070993 HKAIZLIZYWIOFK-IBGZPJMESA-N 438.532 2.231 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1508100187 GFRJSARSPIXYFJ-MJGOQNOKSA-N 425.533 2.452 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1508113202 VQPWZIWXDHFLAE-QFIPXVFZSA-N 436.560 2.445 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1515479516 GDAJMFUOVZUYEO-BGYRXZFFSA-N 440.548 2.315 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC=CCC1 1538974481 VMFKGQCYVZHLBT-QGZVFWFLSA-N 441.605 2.266 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539116108 FZEAVTPFNZVSEA-HXUWFJFHSA-N 439.564 2.313 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539127354 IGYIVWJOZJREFK-HXUWFJFHSA-N 427.622 2.263 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCN1CCOC(C)(C)C1 1539407530 GHIBXRFBWVLFNW-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)F 1539415486 DPSPJQOPFCYAAR-CQSZACIVSA-N 447.458 2.235 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 1539629722 XWLPKKKTUWYNIN-PKOBYXMFSA-N 427.553 2.116 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540042543 PLNXKNDJPRYXLA-KRWDZBQOSA-N 431.468 2.230 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1541277925 UGOFEOUPUWLPPX-HNNXBMFYSA-N 432.475 2.038 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)c1 1542686199 JBWYJDLLMMYVHQ-SFTDATJTSA-N 441.532 2.480 30 10 IEEE COCCN(C)CCCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555519998 GTSWUVTURVUXNL-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1555808141 RHDNCDWTFWQZKP-LJQANCHMSA-N 427.530 2.340 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC[C@H]2CCCO2)CCO1 1555994861 KNQKWTHHVQHGBM-RTBURBONSA-N 429.496 2.322 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccsc2)nnc1N1CCC(F)(F)C1 1556022726 MSJYQBHZSARINT-MSUUIHNZSA-N 434.472 2.302 30 10 IEEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)c1ccc(Br)cc1 1556781952 SHRPZGRUPMGJEM-OAHLLOKOSA-N 437.315 2.470 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)CC2)c1C#N 1565373283 JMUCABMMTIYINX-CZUORRHYSA-N 434.566 2.410 30 10 IEEE Cc1cc(C#N)cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 1584929917 GPHLEAKYAYGPHP-QGZVFWFLSA-N 425.466 2.443 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(F)c(F)c(Br)c(F)c1F 1585297307 RZEPOFWGWOMJKG-SQFISAMPSA-N 436.159 2.262 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1587316768 CQXFZKJVTVBCGG-RTWAWAEBSA-N 441.576 2.210 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(=O)(=O)CC 1587655812 ACLYMIHEIIDLAI-MRXNPFEDSA-N 428.562 2.138 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1587883838 NFVJNDVWTXLIJV-UHFFFAOYSA-N 433.516 2.166 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1587975183 RGRHVTYPTGLCSF-UHFFFAOYSA-N 449.559 2.028 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)C2=O)cc1 1588080415 VOLHKMLRLKXQNL-HSZRJFAPSA-N 443.467 2.162 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN(C)C(=O)OC(C)(C)C 1588171086 UHBIJWSMTAMADI-UHFFFAOYSA-N 442.564 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1 1588228101 ATDDDPBXFYBPNY-LEWJYISDSA-N 445.633 2.011 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccncc1Cl 1588673694 XGFOIYRYVWHOFC-UHFFFAOYSA-N 444.948 2.452 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1589068392 BGHJVZPEZDXFCS-HXUWFJFHSA-N 433.622 2.087 30 10 IEEE C=C(C)COCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1593769491 OGSJCQGBYUTZMO-FVJLSDCUSA-N 436.509 2.026 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1593858208 DPNVTOMRKNGZRQ-UHFFFAOYSA-N 431.972 2.473 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1594616014 NDFVSCLPAWNTFH-HNNXBMFYSA-N 444.565 2.292 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1595460924 IJTGHZBXMBPBHO-RXVVDRJESA-N 443.523 2.219 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)ccc1[N+](=O)[O-] 1611533411 PEASHLZDVAZKPX-IBGZPJMESA-N 427.457 2.372 30 10 IEEE Cc1nnc(N2CCC[C@@H](CN3CCC(C)CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612581439 FCFQLYPNOXAMTN-XJUMHSELSA-N 441.580 2.061 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(F)c1F 1613594056 AYNSNIAIQJZILE-INIZCTEOSA-N 432.475 2.446 30 10 IEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1620623980 LSTVRHZESRVSPK-KKSFZXQISA-N 442.541 2.209 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)n1 1622097145 OQKUELKGXBQBBU-UHFFFAOYSA-N 447.435 2.261 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)c1 1623705093 VTNYXCRHNUAGCQ-IBGZPJMESA-N 447.557 2.215 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 1630825934 YGWRQMRMEGLNOL-RBUKOAKNSA-N 428.533 2.382 30 10 IEEE N#Cc1ccc(Br)cc1N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1640127026 MIRGXVRQQCBXSE-UHFFFAOYSA-N 435.347 2.477 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCC)[C@@H](O)c1cccnc1 1642606275 FXZURYQZPDXMFQ-JYJNAYRXSA-N 441.912 2.199 30 10 IEEE C=C(CN(C)C)C(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1646283934 WWNVCODFJAYDOG-SFHVURJKSA-N 446.596 2.291 30 10 IEEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 1647926587 OPLIPXCJTPMXEB-QGZVFWFLSA-N 442.541 2.115 30 10 IEEE CNC(=O)NC[C@H]1CCCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1654515052 FINQPBPCNLXMSS-QGZVFWFLSA-N 426.521 2.340 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)CC1 1659310360 SLQWUUTXTIFPRO-HOJAQTOUSA-N 428.581 2.140 30 10 IEEE N#C[C@]12CN(Cc3ccc(I)cc3Cl)C[C@H]1CS(=O)(=O)C2 1660452742 NFPLXKYCTLHZFL-SMDDNHRTSA-N 436.702 2.315 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CNS(=O)(=O)c1cccnc1C#N)C2 1663960450 FHOJMKQOPBAFGR-OAHLLOKOSA-N 436.534 2.038 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCN3CCN(Cc4ccccc4)CC3)CC2)cc1 1666706613 GFPACKSJGHNUAU-UHFFFAOYSA-N 432.572 2.208 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CC1 1671140249 OVIGJTJHISBQBA-UHFFFAOYSA-N 432.727 2.289 30 10 IEEE C#C[C@@H](NC(=O)NCc1cccc(CS(N)(=O)=O)c1)c1ccc(Br)cc1 1672607824 CEEHNBZFRIWPSL-QGZVFWFLSA-N 436.331 2.411 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1682743299 ZSDTZGRUBSYMTF-UHFFFAOYSA-N 431.489 2.054 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1683911888 KETBOYQVABRQCK-PGRDOPGGSA-N 432.521 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1690012257 XAKYUMZIGSICIK-OALUTQOASA-N 437.548 2.426 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)COc1ccccc1OC 1690043577 GCBRTWUPBQMIAN-RBUKOAKNSA-N 435.528 2.416 30 10 IEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCN(C)CCOC)CC1 1690120207 LDDOZKHVJCLZRE-UHFFFAOYSA-N 435.576 2.150 30 10 IEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1690166179 XDDNIIDAHBRSIT-UHFFFAOYSA-N 429.571 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC[C@@H]1C 1690729274 KOYHVQIGOMGUCM-SFHVURJKSA-N 434.562 2.300 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1692423483 BXKWPHWEJPPPGL-FQEVSTJZSA-N 437.592 2.315 30 10 IEEE CO[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1697143579 DUJIBHVSZSNQJA-MSOLQXFVSA-N 433.472 2.042 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1698007767 RQQQCVKNAAUCQX-QGZVFWFLSA-N 440.548 2.221 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CC(F)C2)CC1=O 1698076653 NWAWZHZLSFKBQN-FDYSRKEFSA-N 440.523 2.496 30 10 IEEE CSCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698437243 PRXTVUTWXBNEDS-MRXNPFEDSA-N 445.618 2.199 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1705475802 VNXRKFHOLIEEPH-AWEZNQCLSA-N 449.906 2.322 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1705540146 OSYRSUMTIVLLFV-IRXDYDNUSA-N 430.553 2.258 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705560585 LUEGYIJKESDUMQ-MRXNPFEDSA-N 433.578 2.500 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCOCCS(C)(=O)=O 1705591385 OONBDNHCOQSQIP-UHFFFAOYSA-N 440.525 2.215 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N(C)C 1705621092 QYUUERGLKYBEOC-UHFFFAOYSA-N 437.523 2.397 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705726641 XELJQGFGTNYYKE-DENIHFKCSA-N 437.592 2.219 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1705737578 VQOPIWCXUDZQEF-PXNSSMCTSA-N 426.583 2.168 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccn2)CC1 1705831941 IIPZSGRBFXNNBW-UHFFFAOYSA-N 436.564 2.454 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1705840739 AJEYIWOKTQQFIK-APWZRJJASA-N 438.532 2.349 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCO[C@H]1C 1705857109 PQJNZFGFBWBHPJ-SBUREZEXSA-N 436.516 2.476 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1)C1CC1 1705857805 BJFWXHSRRWFNAW-UHFFFAOYSA-N 435.575 2.002 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705891918 GCZSQUPCZGQGDO-FQEVSTJZSA-N 437.573 2.168 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705941540 MXNCGKBBOZDMJJ-MRXNPFEDSA-N 444.561 2.095 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nc(C)c(C)s2)n1 1707832580 DBDHKJAEOJQWSB-KRWDZBQOSA-N 426.550 2.185 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1COCCO1 1708530977 NZSZPXMNXDHMPG-PKOBYXMFSA-N 425.537 2.190 30 10 IEEE COC(OC)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c1 1711586303 XILKGYLBRYKRDJ-HXUWFJFHSA-N 434.500 2.332 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)cc1OC 1711732192 JWQVFBUFOVZPNN-KBXCAEBGSA-N 426.521 2.473 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1722280588 XNEAPRPLRJGVMD-MRXNPFEDSA-N 444.499 2.444 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1722318680 QSSNCWVAEKQMSF-OAQYLSRUSA-N 425.581 2.102 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722320109 STAKVUQCRNVSEQ-IBGZPJMESA-N 439.564 2.491 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1722343001 BHBQLJOCJGLLJZ-HSZRJFAPSA-N 443.523 2.024 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1722413922 SRQBYNHRLYCMMQ-QFBILLFUSA-N 449.552 2.013 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC2CCCCC2)CC1 1722435933 RZLLTSNMGPATRK-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1722455328 SLNIWPQLDQCYSK-QGZVFWFLSA-N 427.530 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1722728291 PCCHQFLSDNCOMX-HKUYNNGSSA-N 432.546 2.430 30 10 IEEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 1722743077 PHMNTQXYZMLLKZ-LJQANCHMSA-N 440.573 2.152 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1723875287 BACSJXRBRMYCMZ-HXUWFJFHSA-N 437.592 2.315 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)C1 1726461428 CCRMKLZICNRDAL-RQXXJAGISA-N 431.560 2.429 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1(C)C 1728927339 IRFMTSXRYUOEOX-JCGIZDLHSA-N 447.561 2.333 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740623506 VNHLQTKNMDRHOV-QGZVFWFLSA-N 428.562 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CCS(C)(=O)=O 1740659537 OIVBVSQAESLAQS-UHFFFAOYSA-N 432.571 2.087 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740713416 LBJUNSMLAVEENO-QFBILLFUSA-N 438.561 2.291 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740742824 CLWSOYPCHHAXKC-UONOGXRCSA-N 434.342 2.385 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C)C1CC1 1740911373 ZWIBIURMAULJCY-QGZVFWFLSA-N 425.599 2.448 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ncccc2Cl)C1 1740970253 IDGUHRUSGIYVAS-HNNXBMFYSA-N 434.928 2.325 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1741304412 CSNTYSFVMBOLIN-XXBNENTESA-N 439.564 2.172 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1743248095 KXUVOHMZLXFIHF-DPHDRGAJSA-N 442.907 2.350 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)C1 1748330143 HKJJQIPEPKOWDW-OTWHNJEPSA-N 439.516 2.279 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](COCC)C1 1748735342 PQJNEILDWLXGOB-SFHVURJKSA-N 445.589 2.472 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748821213 NGCDWJCXYASNSG-ZWKOTPCHSA-N 447.630 2.222 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N(C)C)c(F)c1 1748875703 VHPAULUDWJXELN-RXVVDRJESA-N 425.508 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(C(F)(F)F)c1 1748947978 CAYPSNCSABDGFR-UHFFFAOYSA-N 436.438 2.062 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCC2(C)C)CC1 1749011039 YRXWNBIGSFCTMA-ROUUACIJSA-N 426.565 2.021 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1749078341 IRMGLLBYIUPKPF-JJEOQYAHSA-N 426.517 2.398 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)CCO1 1749551967 HIKMMUZZJROFJS-HXUWFJFHSA-N 447.499 2.070 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1749707147 AOVFXXQKZZPZAJ-INIZCTEOSA-N 437.591 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCOC1 1749736738 NWOMQPHMPPIZBW-INIZCTEOSA-N 439.607 2.097 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC=CCO1 1749806067 GLVFPGBJLYRPHK-UXHICEINSA-N 436.516 2.099 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760177247 FPVHQCNNVJGSDJ-DQRAZIAOSA-N 434.500 2.070 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cn(C)nc1-c1ccccc1 1760196894 SXHJZHYUVXEFEI-RUZDIDTESA-N 444.539 2.452 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760281446 MYORLJIIIQHPHH-VQTJNVASSA-N 444.605 2.257 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1760282113 WEXFKHYVBUVAER-FQEVSTJZSA-N 433.622 2.087 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1760453486 XXYITKOGINGYPJ-MRXNPFEDSA-N 431.468 2.230 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cnnn1 1760460119 RJULGQVTOSNGMF-UHFFFAOYSA-N 433.314 2.415 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCc2nccn2C1 1760698925 SNEYZDVFLQABBG-HZPDHXFCSA-N 438.561 2.325 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1763450917 OCMCHOQKFQMVBM-PXNSSMCTSA-N 449.563 2.333 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1767540548 HFZYPZGIZUOQMP-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1768243199 HDSDNODTHLICQD-RBUKOAKNSA-N 429.546 2.257 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(Cl)cc1 1771223430 WMOSQRLMBBGZON-MAUKXSAKSA-N 435.912 2.463 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)c1 1848861668 LRWVTNHOHOCDQE-GOSISDBHSA-N 432.480 2.031 30 10 IEEE Cc1[nH]nc2c1[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2C(=O)[C@@H]1CN2CCN1CC2 1851891247 HGNFVWIKTJYOSB-RXVVDRJESA-N 446.555 2.235 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccccc4Cl)n3[nH]2)CC1=O 1852331922 WBEGCBMMALFFIG-ZIAGYGMSSA-N 440.891 2.313 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1852556555 JCOMMVMNPZUPOQ-GFCCVEGCSA-N 443.257 2.479 30 10 IEEE COc1ccc(-n2nc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)nc2C)cc1 1852745394 CSYILZUTJZHUBR-UHFFFAOYSA-N 431.396 2.068 30 10 IEEE CN(C)Cc1ccc(CCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1854910682 FYWCZZJYMZEQCJ-FQEVSTJZSA-N 443.525 2.100 30 10 IEEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856418812 KJCKSLNHPZQRMD-MAUKXSAKSA-N 437.949 2.045 30 10 IEEE COc1ccccc1CC(=O)N1C(=O)C[C@H](C)N(S(=O)(=O)CC#N)c2ccccc21 1857463326 JUEPDNOSDOWTGD-HNNXBMFYSA-N 427.482 2.249 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc2c(c1)OCCO2)c1c(F)cc(F)cc1F 1862461332 CHWINHQUYYZSAL-GOSISDBHSA-N 435.354 2.446 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccc2C(=O)O)cc1OC 1862572891 OPZNBJJDDDIIIN-BUXKBTBVSA-N 441.436 2.361 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 1869929945 PMGSOZZAMZPTBZ-LJQANCHMSA-N 444.532 2.382 30 10 IEEE CCCCCCCCN1C[C@H](C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)CC1=O 1872961070 IMOPNWNEPAOXSF-QGZVFWFLSA-N 427.553 2.211 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCn1cc(Br)nn1 1878211203 LJVSSSOJGOPXCB-GFCCVEGCSA-N 429.319 2.134 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(OC)c(C)c(OC)c3)CC2)CC1 1890261462 LVCJEKPVLYRPGY-UHFFFAOYSA-N 443.588 2.274 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)ccc21 1891850318 OYYNWDQPDVEZFR-SFHVURJKSA-N 440.525 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(Br)cc1C#N 2141248435 QBGPFOQCXRFOTL-CYBMUJFWSA-N 425.283 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2247280133 YCYQDLCPGCGHGU-HXUWFJFHSA-N 425.310 2.208 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2247919178 PWOBDGRHZAQHIQ-UHFFFAOYSA-N 435.355 2.135 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2255597055 OMYIXHUMOMDVIM-OAHLLOKOSA-N 434.346 2.132 30 10 IEEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255632072 HZLDIKQWGVRKPT-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)n1 2255656578 CMRZPIHSQLYCSR-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827915 OPVTZGLICPIUMU-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC1(C)OB(c2cccc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)c2)OC1(C)C 2255947615 BQUBWHBERIPRPG-UHFFFAOYSA-N 444.362 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)O1 2256682413 YXACMZPEBREXRB-CQSZACIVSA-N 437.277 2.399 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267139684 JTWUWRSQORBKCF-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267185661 YNQGEFBYOJOFFN-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267266604 DWTAKCNVQBZWCX-GASCZTMLSA-N 446.357 2.246 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267270226 KDPBNWFBJYVPQW-DOMZBBRYSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267270660 MVFFKSRGMCMKEU-SFHVURJKSA-N 446.353 2.352 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC[C@]3(C)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267489588 WXMNFFBTYNJBMK-DEOSSOPVSA-N 436.365 2.418 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267492764 VLVFMUHVLIWZDF-ZBFHGGJFSA-N 448.373 2.143 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527313 FQMNVOZGFLFDMA-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2267596303 MTWWMNKMIJADQJ-HSZRJFAPSA-N 446.353 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CCO 2267841289 MXINKQUBSIUYEO-KRWDZBQOSA-N 447.385 2.376 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267880195 QNMKATYKUPMSAQ-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268613499 UYVPJZGHYFICHQ-GOSISDBHSA-N 448.369 2.484 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268665906 ADGJFRAOZOOPLW-UHFFFAOYSA-N 448.369 2.186 30 10 IEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 2296936136 BQGKSXHWHZBULV-JOCHJYFZSA-N 446.507 2.397 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)[C@@H]2C1 2310291495 OIDLTGZQGGJFEH-BURNTYAHSA-N 440.544 2.105 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccc2O)cc1OC 2326182120 ZJKAPPWXRYNJAK-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2337197387 WMRQWGJJJQUWEW-KDURUIRLSA-N 436.365 2.208 30 10 IEEE N#Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)[nH]2)c1 21075452 YNLKPLAJUIODSW-AWQFTUOYSA-N 438.429 2.467 30 10 IEEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)n[nH]1 59309842 CPUSPFQPOJPJFH-FBCYGCLPSA-N 428.478 2.061 30 10 IEEE COc1ccc([C@@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72445499 JJOHYEJPJFELPV-HIFRSBDPSA-N 439.472 2.010 30 10 IEEE C[C@@H](Oc1cccc(C#N)c1)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 110881968 DBJNMAZGWNIJFO-MRXNPFEDSA-N 426.904 2.444 30 10 IEEE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4c(C#N)cnn4C)cc3C2=O)cc1 170524618 DLNNFZKWWLENNA-UHFFFAOYSA-N 429.436 2.391 30 10 IEEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccccc1OC 248253182 QVHQHDWBABSIHJ-UGCAPWQASA-N 432.476 2.030 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1 427180024 UIYQQUZDMGTROE-HXUWFJFHSA-N 433.574 2.481 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 431241605 DSEPGHJCKNDIPR-OYHNWAKOSA-N 444.509 2.324 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)Nc2cc(F)cc(F)c2)CC1 434545692 APPLXZWKQMBPEH-UHFFFAOYSA-N 434.468 2.172 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)cc1 463690638 MRFPGSBBYRJOFG-UHFFFAOYSA-N 443.909 2.046 30 10 IEEE COc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)N2CCOCC2)cc1OC 473911291 NNHFHTBDJCAUMK-GOSISDBHSA-N 437.562 2.080 30 10 IEEE CCOC(=O)c1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ncc1Cl 479859630 JZDQPZPJFQEZLF-UHFFFAOYSA-N 434.905 2.294 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 508810848 QCPSLABQXRSJIQ-INIZCTEOSA-N 429.479 2.273 30 10 IEEE COc1c(C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)cnc2c1cnn2C 541476172 XTTSAPHUADZKGQ-UHFFFAOYSA-N 444.499 2.288 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 541934740 SHGMSOBHRRCURC-OXQOHEQNSA-N 427.567 2.101 30 10 IEEE C[C@@H]1[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC(=O)N1Cc1ccccc1 544612962 HARZMJSYEZBVON-VOQZNFBZSA-N 445.523 2.148 30 10 IEEE CSC[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 570360006 JYKMRAGPBDMOQO-ZCNNSNEGSA-N 443.569 2.440 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 578052575 RYRZCIVZDLYKKQ-UHFFFAOYSA-N 432.506 2.044 30 10 IEEE O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 578250044 NWJAIPGANPKAHX-KNQAVFIVSA-N 433.508 2.104 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccccc3F)cc21 586311879 BEQAGNGTVAWGBH-PMERELPUSA-N 430.457 2.307 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 610169168 FCEIKBXDUHXTRA-IRXDYDNUSA-N 431.464 2.473 30 10 IEEE CC(=NO)c1csc(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)n1 707374604 NSBMBCZSMOIBCI-UHFFFAOYSA-N 436.515 2.405 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 734292273 IGMBGXFBYVQJLT-GOSISDBHSA-N 443.500 2.292 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 734293712 IXYYVPVPEDKTCO-HXUWFJFHSA-N 448.504 2.108 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccccc1C 743725478 TXBHYDRXJZGING-UHFFFAOYSA-N 438.578 2.392 30 10 IEEE COc1ccc(CNC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1C#N 746775829 RKZMSTNLNHDDLW-UHFFFAOYSA-N 448.467 2.065 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)CC1 753776300 WOYOHAADECFMFB-OAHLLOKOSA-N 427.332 2.446 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1CCO[C@@H]1C(=O)O 757479331 KQYHPOLFVXFWTK-MWTRTKDXSA-N 448.475 2.134 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCN1C1CC1 767933785 BBJSFPNMNSXCQS-DOTOQJQBSA-N 435.450 2.188 30 10 IEEE C[C@H](C#N)Oc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 768154952 CCIWSGYJUDXJFR-MRXNPFEDSA-N 430.486 2.392 30 10 IEEE CNC(=O)COc1cccc(CC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 772351821 GVCZWGXJNBKISL-BNGSBABLSA-N 429.517 2.216 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@@H]1CCCO1 772899803 ZDECCCMCMGAKFE-SFHVURJKSA-N 433.533 2.365 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1OC 783548128 ZWKQIFINFPJGQG-WDSOQIARSA-N 434.558 2.186 30 10 IEEE CCOC(=O)C1=C(C(=O)CC)[C@H](c2cnc(-c3ccccc3OC)nc2)NC(=S)N1 793349799 XDKJHKWVTHRLSK-KRWDZBQOSA-N 426.498 2.467 30 10 IEEE CCN(C(=O)[C@H](C)n1cnc(C#N)n1)S(=O)(=O)c1ccc(Br)c(C)c1 798824577 NPFKWOMRWQMWSD-NSHDSACASA-N 426.296 2.019 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCN1C1CC1 800605377 HNJCMDJLOLUVDB-ZDUSSCGKSA-N 430.814 2.418 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 803922241 NDQPJZRPGOGACV-UHFFFAOYSA-N 445.472 2.161 30 10 IEEE CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCN1C(=O)OC(C)(C)C 804161625 UKEQAXVRIZQCTA-GOSISDBHSA-N 432.496 2.417 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)CCCN1C(=O)OC(C)(C)C 804556664 BGTMYPIRMDAGTP-UZQPLGKSSA-N 434.537 2.311 30 10 IEEE C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807948960 ATXDCWOHHTVSKR-GXFFZTMASA-N 433.397 2.473 30 10 IEEE COc1ccccc1[C@H](O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 916695151 YKIIWSBLBONYHW-FCZGTTMTSA-N 446.529 2.363 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 1130433140 XSRXBPMKHJYQOC-QHCPKHFHSA-N 445.483 2.186 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1)c1cc[nH]n1 1136222753 WRTQPCVAMNCIGM-KRWDZBQOSA-N 441.532 2.242 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)C(F)(F)F 1152760734 YZCCGNZOSRAZRZ-AWEZNQCLSA-N 448.467 2.415 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)C(=O)OC 1155780039 XWQXBSXEUVAYQT-FUHWJXTLSA-N 434.489 2.218 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)n[nH]2)c1C 1174601708 SLGIBAAXEWFSFN-UHFFFAOYSA-N 447.499 2.058 30 10 IEEE C=CCC1(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CCOCC1 1192285712 HWRZIEZIBDXLDA-MOPGFXCFSA-N 438.546 2.067 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)c1 1221459175 GQSOMNDLWWDAED-HSZRJFAPSA-N 443.617 2.030 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1286287436 NQQIVXIJOOMNMK-HXUWFJFHSA-N 430.560 2.405 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1286408713 KJNVKKQETCLWNB-RTBURBONSA-N 444.539 2.420 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1286448364 SLQSEVMWSNJWLU-YWZLYKJASA-N 436.965 2.201 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286683630 WLAARHQXHXFDPD-GOEBONIOSA-N 437.570 2.320 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1286745880 KESIPXRRJCAVLZ-IBGZPJMESA-N 431.562 2.010 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)[C@H](C)C1 1286782542 YCPCPFFLQLEJBF-OAHLLOKOSA-N 442.589 2.245 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1286964704 DBGZETVZEQMXNU-CYBMUJFWSA-N 441.508 2.116 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1287097964 AKXIURXCQWQTBW-RBUKOAKNSA-N 438.532 2.137 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(F)F)cs1 1290432341 MQSDAMCEENKVSO-MRXNPFEDSA-N 437.520 2.440 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCCCCCO 1291195488 RXDOJYYPSWHUFQ-KRWDZBQOSA-N 435.536 2.203 30 10 IEEE CC/C=C/Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1293727240 UWNRAQPYYQXAND-NFOSPISASA-N 437.548 2.490 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 1297696587 DBGLZRXFVXVXHR-UHFFFAOYSA-N 429.546 2.401 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC2(O)CC2)c1 1300335071 ZSRFUOPBNFWMID-UHFFFAOYSA-N 436.541 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(C)(C)c2ccc3c(c2)OCCO3)CC1 1300716715 PPYHKQNTLICDES-UHFFFAOYSA-N 437.544 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)OCC)CC1 1300729419 ZDVCNOOEPUDBNE-UHFFFAOYSA-N 444.605 2.415 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1300881141 MNQPRVKSGIYQLU-DYESRHJHSA-N 440.548 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOCC)CC1 1300885475 PTHOAKSLPDCYBQ-ACRUOGEOSA-N 433.597 2.312 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300952281 PXOIWJAWYCIBSL-AOMKIAJQSA-N 446.552 2.022 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1300989549 PLINNDRHWWPECT-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N2CCSCC2)CCCC1 1301951629 CGXSGEDFNBRKDY-KRWDZBQOSA-N 433.626 2.374 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cc1C 1304378238 ASUPTXOBNUCBKZ-FGZHOGPDSA-N 442.495 2.395 30 10 IEEE C#CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1310012954 XYNWFMQICADSFC-UHFFFAOYSA-N 449.621 2.392 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1312581723 GMMOCWUKTKBSBF-QLFBSQMISA-N 436.475 2.113 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NCC(=O)Nc2ccc(I)cc2)C1 1323301227 XHTSEDKDIGGXIY-AWEZNQCLSA-N 429.258 2.216 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)C)c1 1358902217 HQQIXJFSPUTFOU-SFHVURJKSA-N 443.573 2.283 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1358947573 FMPJMEGHMSCSIF-MOPGFXCFSA-N 446.596 2.183 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN(C(C)=O)C1 1359019749 FVVUGBGTXSSEMW-GOSISDBHSA-N 440.504 2.198 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359050888 GFCREOLWBNDZKV-QGZVFWFLSA-N 449.558 2.233 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H](OC)C(F)(F)F)CC1 1359173583 JEZLPKJANZNJIH-GXTWGEPZSA-N 439.504 2.258 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@@H]1CC 1359222820 TVGFULDYKCESKJ-HNNXBMFYSA-N 437.342 2.343 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359224444 RAYKUECEYXEITI-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCCCC2 1359282795 RCTIWZYJJJUNPF-UHFFFAOYSA-N 439.568 2.145 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCO[C@H](C)C2)CCOC1 1360347294 GFEOERDTHUSXII-JPAWQOSXSA-N 433.553 2.253 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1434916983 RGRMWFGJOJLLKT-UHFFFAOYSA-N 436.306 2.098 30 10 IEEE CNC(=O)c1cccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1 1442348076 SATUOGCLIMSLCN-UHFFFAOYSA-N 427.302 2.433 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(CC(=O)NC)CCCCC2)ccc1F 1453905306 IFNBLXBQVQXBBY-UHFFFAOYSA-N 425.526 2.106 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CCOCC3)CC2)cc1Br 1463958712 CKXJWNGPBWUEJL-HNNXBMFYSA-N 428.352 2.196 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCOC1 1502634624 CZTPSOBCPJMZFQ-HSZRJFAPSA-N 440.548 2.353 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1503785468 CTONPFFSEIEVAA-LJQANCHMSA-N 449.559 2.084 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507565137 ADNUAVXFDSRSRJ-UHFFFAOYSA-N 438.561 2.024 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507571491 CQMKFEFQPAKYTD-MBDNFAEBSA-N 445.608 2.353 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1507606707 VEAKMHUMWUAAHV-DJJJIMSYSA-N 435.322 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1507661268 QIERGEFWIZOTHY-DEOSSOPVSA-N 445.527 2.022 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1507691740 MSLRINSKVPDSHO-QZTJIDSGSA-N 431.537 2.391 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCC1(F)F 1507710709 JWJCDJHPCCSFIM-JKSUJKDBSA-N 430.521 2.092 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nc(C)c(C)s2)CC1 1507725823 AZDFNPFXEIOEPU-UHFFFAOYSA-N 438.605 2.211 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1 1507817603 RVWFDUAADKDDGY-UHFFFAOYSA-N 428.566 2.422 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1)C1CC1 1507991121 KKEANMBWDIXRFP-SFHVURJKSA-N 431.924 2.432 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CC1(O)CCOCC1 1507999116 XRUIAHUTQIKFID-UHFFFAOYSA-N 436.516 2.478 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508075074 WBMKZVJZJWFLIQ-KRWDZBQOSA-N 436.516 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2csc(C)n2)CC1 1508076927 JAYFJSYBAFCALV-UHFFFAOYSA-N 441.561 2.236 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 1512417824 AUGSBDHRMDILHN-OALUTQOASA-N 437.592 2.456 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](OC)[C@@H](C)CC 1516592769 RTTRQPTVHZRLIQ-PKOBYXMFSA-N 427.553 2.469 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1519160357 VASDTTPBSUOIFW-QHCPKHFHSA-N 433.516 2.194 30 10 IEEE C[C@@H](Sc1nc(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cs1)C(N)=O 1519793624 HMLGQWXCADHUMH-XEBKBJJBSA-N 445.570 2.425 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1533478159 DVQOPEBPSZJKSC-UHFFFAOYSA-N 432.454 2.474 30 10 IEEE N#Cc1cc(Cl)ccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1538943163 HODVTZGYSAEOKZ-UHFFFAOYSA-N 425.919 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1539034703 HNFPOAOCWLJCFP-FJIDUMEYSA-N 433.553 2.348 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCc2ccccc21 1539420597 IXMXLGLJPDRUSB-DEOSSOPVSA-N 434.544 2.060 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)OC(C)(C)C)CC1 1539444242 KXMDQKMZWQGZQZ-UHFFFAOYSA-N 440.548 2.234 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539557575 XKICUBXKTNGUIQ-HRAATJIYSA-N 431.537 2.068 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(C)s1 1540084253 PTHKHTYKPPMXGW-UHFFFAOYSA-N 438.605 2.473 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1540167942 HDKKXJAJBRSFMX-LJQANCHMSA-N 440.523 2.432 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540866545 RFDGMESYBNTANY-QVKFZJNVSA-N 446.939 2.070 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1541233178 FREPKULAKUGIIO-PVQQOCSKSA-N 440.573 2.079 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1541261999 MJIAADTUVNILOU-LJQANCHMSA-N 449.559 2.036 30 10 IEEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCSCCCO)CCO2 1545150643 FBJHEKIZVRMXFY-VGOFRKELSA-N 443.573 2.317 30 10 IEEE CC[C@]1(C)CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1546072444 FKWCWTYDGVXLAZ-VDVXRXHMSA-N 428.537 2.325 30 10 IEEE CO[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1554645096 PUFOTELUFYJWJV-GOSISDBHSA-N 436.520 2.275 30 10 IEEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@@H]1CC[C@@H](C)C1 1555532038 DHWSUCMRAWTRQI-VQIMIIECSA-N 446.577 2.007 30 10 IEEE C=CC[C@@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1561460709 WGYYVHSGYCKJGU-LJQANCHMSA-N 438.546 2.462 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC)C(=O)OCC 1561828711 WZHWHJDIERVKHC-CQSZACIVSA-N 430.910 2.396 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)cc1 1584641057 ZINQNJSJWSPPGC-UHFFFAOYSA-N 432.473 2.275 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1587579917 LHHDGYFGLKSPAP-HOTGVXAUSA-N 447.486 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1587632962 QGWNDJNYSMKWKU-PKOBYXMFSA-N 425.533 2.145 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCSC2)c1 1587689591 MOGWQFKRVZUSEI-QHCPKHFHSA-N 448.552 2.264 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1588074151 KMLGKZFHXIKCKR-IBGZPJMESA-N 446.548 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)[C@H](C)CC 1588219331 QJEPADQXCDFWLF-CJAUYULYSA-N 446.555 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCC1 1588660459 WUJXNYYLBUFADK-UHFFFAOYSA-N 434.537 2.061 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(O)CCOC)CC1 1588750255 CCLUUIDPSJLEGZ-FDDCHVKYSA-N 445.539 2.100 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)NC)CC1 1594064823 TWWUYBHZTJHFCJ-UHFFFAOYSA-N 425.942 2.313 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1594498109 QHKXCVIROJENER-LZJOCLMNSA-N 438.594 2.167 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1594733510 URBFGVIUPZKNQZ-IAGOWNOFSA-N 448.568 2.220 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1595133917 OSNLYLOJXKGTRD-NRFANRHFSA-N 436.553 2.358 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2ccco2)C1 1595570132 YIZRPGWKDQJZNT-HXUWFJFHSA-N 437.500 2.373 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)NCC)CCC2)C1 1595743862 HCFSMCRWOHZKHF-LJQANCHMSA-N 441.580 2.227 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1596814434 WKDURWZABOJNJL-UONOGXRCSA-N 443.458 2.212 30 10 IEEE Cc1ccc(O[C@H](C)C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c(C)c1 1615577596 JBPIQDRYROXVET-NHCUHLMSSA-N 429.561 2.286 30 10 IEEE COc1cc(OC)cc(N(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1619139494 CGKFXTTXOXKUMF-VZCXRCSSSA-N 438.488 2.467 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1619989960 LPPOBLMNOYDECJ-HTAPYJJXSA-N 444.511 2.103 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1620110744 AODQEAXEIWUYJH-MHTWAQMVSA-N 446.596 2.099 30 10 IEEE C#C[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)C1CCOCC1 1622379655 FVHSTJQANQRQHV-GIVPXCGWSA-N 434.558 2.429 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1623969469 LOAXQRPFSPIJIU-CGTJXYLNSA-N 444.391 2.486 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1630575780 LLUSZLUYIAGXIU-YHYXMXQVSA-N 435.477 2.013 30 10 IEEE N#Cc1cccc(OCc2cccc(C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@@H]43)c2)c1 1638771197 AMUOJBFGERDICP-SFTDATJTSA-N 426.494 2.165 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1Cc2cccc(C#N)c2C1 1644201815 CCRXXYLXMXSCJE-LJQANCHMSA-N 445.928 2.287 30 10 IEEE COc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1S(=O)(=O)N1CCCC1 1648291432 FZVOHSCWVPYRQW-UHFFFAOYSA-N 446.554 2.194 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCCCCC1 1652402373 RFXKOTMJKOPNLE-IBGZPJMESA-N 435.546 2.368 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)s1 1655344730 CSCYQASZTINZJF-UHFFFAOYSA-N 446.598 2.269 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 1659746858 PJITYCVAGJCKEA-PMACEKPBSA-N 435.613 2.448 30 10 IEEE C=CCOCCCNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1681793346 CDHIMWLMTHEJLU-OAHLLOKOSA-N 438.491 2.362 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1689912876 CKFTYSYDTKOUAU-VYDXJSESSA-N 437.591 2.330 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOC2=O)cc1 1690022858 VMUNDPCFZLFEST-UHFFFAOYSA-N 426.480 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCc1ccco1 1690025367 OCKOLOORKWIZQN-UHFFFAOYSA-N 426.480 2.263 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCOCC1 1690067862 NLGYMGHGDFWJLR-GOSISDBHSA-N 425.533 2.144 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690308760 YYQLRXJZKUNBGJ-UHFFFAOYSA-N 436.582 2.116 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCCCC2)C1 1690659273 ORWZMJFJCATYDP-UHFFFAOYSA-N 432.569 2.038 30 10 IEEE Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)s1 1693447754 DBBAABRFXWLOJI-UHFFFAOYSA-N 436.545 2.311 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCOCC2)cc(OC)c1OC 1697255907 DMXSPXSACRRFPX-QGZVFWFLSA-N 443.504 2.126 30 10 IEEE CSC1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1698366984 LGRJWUAKBGPPGS-INIZCTEOSA-N 434.591 2.275 30 10 IEEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1698429391 FJPCDGRNWBNSAC-UHFFFAOYSA-N 427.578 2.368 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)C1 1705526458 KKBSKJBDGOAAQG-UHFFFAOYSA-N 431.562 2.224 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705527033 QKCJNPSOZXBGKP-SFHVURJKSA-N 446.349 2.462 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705563567 ZZUOPBSHEVOWFM-SIKLNZKXSA-N 430.574 2.295 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1705569178 DIFISVXEJNWCRU-FUHWJXTLSA-N 449.527 2.326 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](F)COC 1705672179 NLVUWZBSJLRBNW-MGPUTAFESA-N 434.541 2.215 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705692503 LDFPDHPKSGAROT-HZPDHXFCSA-N 426.359 2.197 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705725803 RQYIOAVZSZDFFG-GUDVDZBRSA-N 449.552 2.129 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1705819528 NULAJSJXFWLKNB-INIZCTEOSA-N 426.608 2.249 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1706152265 AWDLBVFWWPOFTB-OAQYLSRUSA-N 428.468 2.421 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCCC2)CCOC1 1706678099 BSOUFVJXIRYIPF-NZQKXSOJSA-N 446.596 2.312 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706934514 BAWUOGCKXRMGLU-KKSFZXQISA-N 425.468 2.202 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708820343 DZVICUDIHHYWFP-QGZVFWFLSA-N 447.547 2.268 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1710196387 FAQULFWNEILBFC-IBGZPJMESA-N 436.520 2.108 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1710826329 WFURUPKFCROYMV-MRXNPFEDSA-N 436.520 2.428 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)(F)F)C[C@@H]21 1712672340 NHGSUJYCFKOFEY-IXDOHACOSA-N 448.449 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1722274662 VKJNGHIZLLLDQY-SFHVURJKSA-N 434.544 2.143 30 10 IEEE C#CCCCCn1c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)nnc1C(C)(C)C 1722322426 KEYCBUAAMNFVJR-UHFFFAOYSA-N 439.626 2.256 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722341372 DQBVIFMDSRCJLA-UFYCRDLUSA-N 431.581 2.404 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722370285 BFWVYOUOEYSAAA-VQTJNVASSA-N 444.626 2.443 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1722378908 ISBCVFAUPOBXOA-ROUUACIJSA-N 435.532 2.482 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1722428241 CURZTQVMLWHQDF-NRFANRHFSA-N 437.544 2.039 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCN(C)C(C)C)CC1 1722437286 CHVLLZFKRVDSSA-UHFFFAOYSA-N 432.576 2.226 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722482212 GGEDFXLQPVDGNT-UONOGXRCSA-N 428.331 2.406 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC(C)C)CC1 1722575750 UXCKCOYUGLVZNG-UHFFFAOYSA-N 447.561 2.404 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722654890 XYIGUQVJZASAHY-QFIPXVFZSA-N 443.573 2.189 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722698395 FZDGWUPTFBBVGO-MSOLQXFVSA-N 442.539 2.329 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1722738080 AUBVQTWMIKQRHF-KRWDZBQOSA-N 443.639 2.157 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1Cc1ccc(C#N)o1 1723928023 RQPOVOIODCFNCX-ZIAGYGMSSA-N 426.502 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOCC1 1740537403 UPLURPJHRCGRAN-HNNXBMFYSA-N 435.370 2.226 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC1CCCCC1 1740547925 BZQSOEMMIKNOJW-HNNXBMFYSA-N 426.521 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H](c1cccs1)N1CCOCC1 1740641241 HIRCFKGIGHCJMQ-OAQYLSRUSA-N 446.580 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740985097 BHSIPWWKQXAUKE-CVEARBPZSA-N 425.599 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)C1 1740994061 IHQIHMFLOMZVRE-HNNXBMFYSA-N 437.591 2.107 30 10 IEEE CC/C=C\Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745071355 BQFSMBFBOZZZKX-DFOOCIKTSA-N 440.552 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1748665431 QREIOJKMFZUHLU-INIZCTEOSA-N 430.516 2.398 30 10 IEEE COc1ccc(CCc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)cc1 1748720292 IUDPNYMLEUTSEI-UHFFFAOYSA-N 448.527 2.378 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1748735310 OUDSFYMNWBSKRQ-GOSISDBHSA-N 443.573 2.257 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1748766632 TXQBMFWNVRZJFZ-SFHVURJKSA-N 442.951 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(Cl)cn1 1748841860 BCAMKOYFYLUZLY-UHFFFAOYSA-N 432.875 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748851736 LNCHPCLCBFCNJC-UHFFFAOYSA-N 439.585 2.382 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1749140649 RSFPCLNIFXQHCN-XQBPLPMBSA-N 430.553 2.281 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1749154358 QDOBMVOLQGFKCU-QMHKHESXSA-N 438.532 2.134 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749225841 KOBKGEKWFKLHGQ-KRWDZBQOSA-N 425.599 2.294 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749280274 GBUHXUHRMXJJHO-CQSZACIVSA-N 428.942 2.488 30 10 IEEE C=CCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749439930 NIYCMJUDLSHBCV-UHFFFAOYSA-N 440.595 2.057 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1749489291 UAOYEYCPAONOSG-HKUYNNGSSA-N 449.577 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCn2nc(C)nc2C1 1749659004 RAJGEIFVRSRHJR-UHFFFAOYSA-N 434.548 2.465 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749671874 MCEVSYGOJWLFCV-HOTGVXAUSA-N 431.487 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1749730040 XULDPDSZMNINEC-UHFFFAOYSA-N 445.589 2.159 30 10 IEEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1751717723 YDYUXYZTEGQBKZ-LSDHQDQOSA-N 429.484 2.500 30 10 IEEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760140662 VMDHFZOAXBRRPJ-UHFFFAOYSA-N 435.981 2.407 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H](C)C1 1760171133 WFXNJVJTBKVUDX-QGZVFWFLSA-N 429.594 2.040 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1760207104 XSCBOWIETRRSEC-UHFFFAOYSA-N 448.615 2.171 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760345311 STIINUWMJGPCNM-DLBZAZTESA-N 427.484 2.345 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCOC2)C1 1760550099 SACYUNGOCJKPFR-AUSIDOKSSA-N 428.533 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(C(N)=O)c1 1760551966 YAKRXJBDBTZXMH-UHFFFAOYSA-N 443.529 2.183 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)cn1 1760627317 FSEWITABCCTQPT-MRXNPFEDSA-N 438.879 2.124 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C#N)o1 1763196013 LVYFCLDTNBHSOO-LJQANCHMSA-N 447.499 2.375 30 10 IEEE CCNC(=O)c1cccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OCC)CCOC2)c1 1767209521 IDXOQRJPEHOVTR-UZUQRXQVSA-N 440.548 2.467 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1767434608 FIRUDUDJQWFWAV-HXUWFJFHSA-N 436.520 2.105 30 10 IEEE CN(C)C(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1 1768457605 COTYBXKHYZRADV-UHFFFAOYSA-N 445.568 2.221 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1768980537 HPKRCRBXSIREKL-CABCVRRESA-N 435.431 2.019 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1770804834 RJKSBOGWLQGXQG-XHSDSOJGSA-N 438.504 2.063 30 10 IEEE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)ON1C(=O)c2ccccc2C1=O 1772790182 KWEJGBLXQOTDGJ-HNNXBMFYSA-N 427.800 2.299 30 10 IEEE N#CC1CCN(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)CC1 1849364428 LFONDDSXEDJTAJ-UHFFFAOYSA-N 430.574 2.311 30 10 IEEE CN1CCN(c2cc(Cl)nc(NC(=O)c3cn4cc(C#N)cc(Cl)c4n3)n2)CC1 1852051610 HDWWVCFUOKZBGO-UHFFFAOYSA-N 431.287 2.307 30 10 IEEE CN(C)C(=O)[C@@H]1C[C@H](OC(=O)c2nc(C3CC3)ccc2C#N)CN1C(=O)OC(C)(C)C 1852340373 BDRXVPBJUJFYLF-RDJZCZTQSA-N 428.489 2.454 30 10 IEEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)c1 1853607513 HHQWNEMOKYMRMR-UHFFFAOYSA-N 447.900 2.088 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@@H]1C 1854725421 BUINYDDFZIGAAU-YJBOKZPZSA-N 439.965 2.129 30 10 IEEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC[C@@H](Oc4ccc(Cl)cn4)C3)CC2=O)ccn1 1857229120 KFCWUFKBUHZGNV-RDTXWAMCSA-N 425.876 2.144 30 10 IEEE O=C(/C=C/c1ccc([N+](=O)[O-])s1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1860637365 SDQWNRJCBLEDAL-DUXPYHPUSA-N 429.454 2.312 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862482335 OTENYJDQLDWJIY-LJQANCHMSA-N 439.424 2.323 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862745630 NRYDDSKOMUMIKO-KPZWWZAWSA-N 440.408 2.341 30 10 IEEE C=CCN1C(=O)C(NC2CCC3(CC2)OCCO3)=C(c2ccc(OC)c(OC)c2)C1=O 1863524357 VWFVDRUELBKONE-UHFFFAOYSA-N 428.485 2.245 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2cccc(F)c2)CC1 1866868525 UVQGYJLIJGRMDR-QZTJIDSGSA-N 430.505 2.280 30 10 IEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(F)c(F)c3F)cc2C1=O 1870149385 REDZYAODNDJWGQ-UHFFFAOYSA-N 426.314 2.034 30 10 IEEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/n1c(S)nnc(C(C)(C)C)c1=O 1873495190 ONEHTQKWONSWMG-ZVBGSRNCSA-N 445.501 2.392 30 10 IEEE CN(C(=O)c1cccn(Cc2ccccc2Cl)c1=O)C1CN(c2nccnc2C#N)C1 1890505764 PIDLFPSNSFXWPX-UHFFFAOYSA-N 434.887 2.172 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900466604 IKAMXOJPLBZGQZ-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060635922 QSFIMMBRMPGZGJ-OAHLLOKOSA-N 430.314 2.021 30 10 IEEE C=C[C@]1(O)CCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 2195065266 SQPUEGAARYYION-LBPRGKRZSA-N 426.130 2.105 30 10 IEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CNC(=O)OC(C)(C)C 2243666290 ZSMQHKQRJLDYSX-LBPRGKRZSA-N 425.360 2.486 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247834346 UOQRYDSOURRBBU-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]2COC[C@H]21 2254645330 LMAULULZLSABER-BBWFWOEESA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627138 OIWKXUYIDAXYJQ-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE Cc1nn(C)c(C(=O)NCCCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255631078 TUPXMSPOLPWZGX-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCNC(=O)OC(C)(C)C 2255637052 CTCKSYKAVBDSKN-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255700742 HOMUKZZDJHLWPE-CQSZACIVSA-N 434.346 2.151 30 10 IEEE Cc1nn(C)c(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255822375 MECIXAHOXLWSRB-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE C[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1NC(=O)C(F)(F)F 2255845472 BXTIRVPXFXUTNR-NWDGAFQWSA-N 430.232 2.108 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851556 RWRMUBRGJGDSPO-VXGBXAGGSA-N 430.232 2.108 30 10 IEEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255880002 YIHUVAHDRQVFSP-OAHLLOKOSA-N 434.346 2.055 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009650 NPDSLKGSNSCTPR-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267198565 ABJQFPJEABDXDO-OAHLLOKOSA-N 447.341 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267615018 WQDBTISBMZPIDG-CVEARBPZSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267802802 XSAGGTHGZMFYJR-QKFKETGDSA-N 444.337 2.431 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267818388 FCDKAZAQHSQAGB-OALUTQOASA-N 447.385 2.496 30 10 IEEE COc1ccc(C=C2SC(=O)N(CCN=C3NS(=O)(=O)c4ccccc43)C2=O)cc1 2297364811 XKFUVVYONSWVQT-UHFFFAOYSA-N 443.506 2.470 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@]1(C)COC 2301111517 RJDKGGMLMHGZHL-SWLSCSKDSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CO[C@H]1C2 2312794680 NWWUCAYMGAUCFF-KCOOYEKVSA-N 440.544 2.295 30 10 IEEE CCOC[C@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2326114172 FUNOAXXQHLIMDG-WMZHIEFXSA-N 446.548 2.081 30 10 IEEE C[C@@H](O)Cn1c(NN=Cc2ccc(OCc3ccccc3)cc2)nc2c1c(O)nc(=O)n2C 2328610433 VLUWWUOOWMZDJR-OAHLLOKOSA-N 448.483 2.241 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2366836637 POMIYLBZQABUFF-DOMZBBRYSA-N 439.306 2.478 30 10 IEEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1 102716231 LMINHNQJGXSZNW-VFJWVMJUSA-N 449.507 2.400 30 10 IEEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2ccc(Br)cc2)[nH]1 253563706 FSWLCYKJMBDICG-FRKPEAEDSA-N 427.284 2.378 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)NCCc4ccc(OC)cc4)no3)cc2C1=O 445414468 XWOSEDFHALVHGY-UHFFFAOYSA-N 446.463 2.429 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@@H]1CCCO1 461348950 VPHHSMMBRXMBJQ-YOEHRIQHSA-N 444.528 2.355 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)n1 471030353 JYOUGFURLHABCC-UHFFFAOYSA-N 438.412 2.090 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)c1 472091411 ZBTOOWJMCNOFCX-SFHVURJKSA-N 437.548 2.109 30 10 IEEE O=C(C1CCCCC1)N1CCN(CC#CCN2CCN(C(=O)C3CCCCC3)CC2)CC1 472751468 KYMNSZSUULTNSF-UHFFFAOYSA-N 442.648 2.439 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 479256901 ZCLDXIKLQBLZPI-UHFFFAOYSA-N 441.553 2.395 30 10 IEEE Cc1nc(C2(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCCCCC2)no1 480673414 QPRMJDIHKFGSJU-AWEZNQCLSA-N 431.518 2.282 30 10 IEEE C=CCN(C(=O)c1nc2ncc(Br)cn2n1)c1nc(C(=O)OCC)cs1 501942529 LHWQTYQWCWFRRN-UHFFFAOYSA-N 437.279 2.353 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 504094127 SRTBTGVIELANFM-JPYJTQIMSA-N 429.517 2.473 30 10 IEEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 507510509 WUVCVJXRJATJAK-MOPGFXCFSA-N 444.557 2.383 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C#N 515663907 QUJAIQKCYJYJOU-UHFFFAOYSA-N 432.505 2.091 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 520334302 AJRUBLRMWFGAKU-ROUUACIJSA-N 437.456 2.201 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 520757149 CRESOEXGTRUPDW-AWEZNQCLSA-N 432.492 2.485 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)oc1C 523305686 WFEJMBIQVSTBAX-UHFFFAOYSA-N 428.510 2.126 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n(CCC#N)n1 526640870 CLBWKOUDSQHYTN-QGZVFWFLSA-N 432.488 2.235 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 533227305 BJQOVANURYTXLK-ROUUACIJSA-N 430.574 2.448 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 545545238 GWLAMPSOZZIONS-SFHVURJKSA-N 439.493 2.373 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ncnc3ccsc23)CC1 549692723 HWGGBUOTYOCVFQ-MRXNPFEDSA-N 427.534 2.273 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cnn3cc(Br)cnc23)CCN1Cc1ccccc1 560610745 MTHGLYXQACVZAJ-MRXNPFEDSA-N 425.290 2.342 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 576315942 ZXEPBKDXTUXXGZ-WMZOPIPTSA-N 430.578 2.054 30 10 IEEE CN1CCO[C@H]([C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 586863839 BONATPVYZWJRTQ-VQTJNVASSA-N 444.894 2.155 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3cnn4cc(Br)cnc34)CC2)nc1 611280301 QQWYSODITSXLHS-UHFFFAOYSA-N 426.278 2.157 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cc1 612193243 ABNJOQTUKFZKRD-QGZVFWFLSA-N 426.538 2.216 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)CCN1C1CC1 732706466 KMXLIPIYPYXTKA-OAHLLOKOSA-N 432.406 2.028 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1[C@H](C)c1ccccc1 735068974 NUGPRFVOVQVJCK-QGZVFWFLSA-N 449.580 2.155 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 748063903 DWTGJFWFDJDLNI-UHFFFAOYSA-N 432.929 2.090 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 749798123 NNTWSVIDAHXKNW-MOPGFXCFSA-N 432.590 2.419 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754786763 PQKTYLPBTJXJJA-NSHDSACASA-N 434.271 2.465 30 10 IEEE CC(C)CNC(=O)N1CCC[C@H](CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 760405082 XACGKWGJTJQEIG-QGZVFWFLSA-N 426.583 2.374 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2C)n1 764625750 KVFNFLMRLAZAKM-UHFFFAOYSA-N 430.877 2.231 30 10 IEEE C[C@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)NC1(C#N)CCC1 787585721 QTLAEEOFGQZIMD-VIFPVBQESA-N 428.392 2.264 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCCCC2(C#N)CCOCC2)CC1 800120993 HCWPFWDUOJZVRT-UHFFFAOYSA-N 438.550 2.071 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(c2cnccn2)CC1 812093547 WDFUISVQCBQCEN-UHFFFAOYSA-N 448.531 2.270 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 812918329 QXSWTODGWCUJRM-PUAIJGIWSA-N 432.468 2.465 30 10 IEEE CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@H](C)Oc3ccccc3C#N)ccc21 914679119 XMHQXYQAJLZZDD-HNNXBMFYSA-N 442.493 2.464 30 10 IEEE COC(=O)c1ccc(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1 1125189298 ROCZMBHXHRIVTN-FCDQGJHFSA-N 429.498 2.467 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3c(F)cccc3F)CC2=O)cc1Cl 1126150697 DRMUYHMMVITOMP-CYBMUJFWSA-N 446.841 2.389 30 10 IEEE C=CCN(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1128110959 HDQRIVFDQXJOGN-HXUWFJFHSA-N 436.574 2.237 30 10 IEEE C[C@@H](C(=O)N1CC[C@H](Cc2cccc(I)c2)C1)n1cnc(C#N)n1 1129096914 WBZMRZAYUZTBLD-GXTWGEPZSA-N 435.269 2.407 30 10 IEEE C[C@@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN(Cc2ccccc2)C1 1130611164 YZOXPQVOKSWBLS-JOCHJYFZSA-N 426.542 2.273 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Oc2c(C)nn(CCC#N)c2C)C1=O 1134703591 YCGMTSGVPFSSNJ-QFIPXVFZSA-N 439.472 2.103 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC2)c1 1136044280 KORKJXAXWANGFO-UHFFFAOYSA-N 431.250 2.169 30 10 IEEE CCN(C)C(=O)[C@@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1136563071 OWODSUXEWBARDM-WZHMAMEKSA-N 436.578 2.153 30 10 IEEE C#CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC)C(=O)OC(C)(C)C 1136682234 OSWOPCXHFIIFKF-UHFFFAOYSA-N 431.489 2.119 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1 1143864865 KGBFJIFAUMAZKV-UHFFFAOYSA-N 435.546 2.375 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(Cc2ccno2)CC1 1153003052 ZUGLBRCMWNWOQZ-UHFFFAOYSA-N 449.305 2.431 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1154914426 GRRKKQUOJGDEKQ-KRWDZBQOSA-N 439.509 2.498 30 10 IEEE Cn1ccnc1N1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1156740798 ABDYXPDJKDDSCE-BNGSBABLSA-N 442.564 2.292 30 10 IEEE Cn1cnc(CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1Br 1157332274 JTUJUENDHIGXPV-CYBMUJFWSA-N 428.331 2.428 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3nc(COC)ncc3C2)cc1 1214688228 YNCPSPQFFUCYEQ-UHFFFAOYSA-N 431.518 2.020 30 10 IEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1286388834 VVFVOQVBHXJFFP-GOSISDBHSA-N 439.541 2.157 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286393223 PUBQLSWVLDICOK-HXUWFJFHSA-N 427.574 2.275 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1286431607 PZHIUHIFOCGRGS-KRWDZBQOSA-N 448.495 2.293 30 10 IEEE Cc1nnsc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1289263327 LZJHRZHREUPHOD-DYVFJYSZSA-N 425.518 2.144 30 10 IEEE Cc1nc(C)c(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1290378604 QHNULHUPKLLUPN-JXFKEZNVSA-N 432.550 2.169 30 10 IEEE C=CCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1296419648 BFXFIINJWCJXBP-KRWDZBQOSA-N 436.555 2.127 30 10 IEEE CON=Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cc1 1296558037 FNFZFZGXOLHJLL-UHFFFAOYSA-N 437.481 2.461 30 10 IEEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](CO)c1ccccc1 1298371798 ICZGYRBNESCIFX-IBGZPJMESA-N 429.542 2.478 30 10 IEEE Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1299877722 MRSLNNRMRRJTCZ-HUUCEWRRSA-N 438.550 2.219 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1300602246 BJEAWGBYCKVMCJ-DEOSSOPVSA-N 439.560 2.275 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN(CC)C2CC2)CC1 1300729391 YBVAXDGZNJMKET-UHFFFAOYSA-N 440.617 2.381 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300843187 DARIXJKGZJRFAW-RHSMWYFYSA-N 445.383 2.443 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1300983964 TVXKZIYOHIOLGA-UHFFFAOYSA-N 443.449 2.350 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccccc2F)CC1 1301108609 UJWOETZCGIPZNB-UHFFFAOYSA-N 440.523 2.486 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301483288 NGIGGKXBETWCFJ-PMACEKPBSA-N 441.532 2.412 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1301535251 JYOWKNOEJOQBHZ-CVEARBPZSA-N 436.557 2.111 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccs2)C1 1301557965 RZIPHGPEJNOJLN-IRXDYDNUSA-N 431.562 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C)C1 1301568396 GCNKEUMOJDWVDR-CVEARBPZSA-N 438.525 2.383 30 10 IEEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1306702291 FHUYFYDNCZRBJI-UHFFFAOYSA-N 430.516 2.437 30 10 IEEE N#Cc1cccc(CNC(=O)CN2CCN(Cc3ccc(Br)cc3)C(=O)C2)c1 1307990361 PDTIRUMOMJBNAF-UHFFFAOYSA-N 441.329 2.281 30 10 IEEE C#C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 1312940672 SLLJYXSFYYAVEJ-FQEVSTJZSA-N 440.525 2.069 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)N(CC)CC)CCOC1 1314099775 CLLAKVHIVBGPKY-JOCHJYFZSA-N 432.569 2.319 30 10 IEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1315782058 OYJMOMIKMOILRV-IIBYNOLFSA-N 429.546 2.114 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCOC2)c(OC)c1 1352007842 GOONCGBEDFDTOQ-AEFFLSMTSA-N 438.532 2.175 30 10 IEEE COc1cccn2ncc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)c12 1355744006 IGZGBXUZBAGPJD-NKFKGCMQSA-N 427.486 2.408 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1358932910 BJKJHMUOXBNVES-UHFFFAOYSA-N 438.580 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1nnc2n1CCCCC2 1358979920 BIULVYTVLLFION-UHFFFAOYSA-N 429.528 2.317 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1358985907 JSMHYOWWVHIWIE-GBXCKJPGSA-N 436.560 2.476 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Sc1ccccc1 1359024495 OFTMQCTUJKKUFL-ZWKOTPCHSA-N 448.614 2.447 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359048759 AYZLOYCTAURMMU-SJORKVTESA-N 425.624 2.162 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1359095555 PKIBKGRUJDFIAX-QFBILLFUSA-N 432.546 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359098611 DAFFSPTVPKVPEZ-CTNGQTDRSA-N 446.596 2.032 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1359164594 TWCJEJCOULFTAL-UHFFFAOYSA-N 435.532 2.310 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1359228259 YFRKSKXQUQWTPR-LPHOPBHVSA-N 427.505 2.085 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1359554126 ACFKWJYVWLWTJQ-VFNWGFHPSA-N 447.515 2.071 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 1440714975 RJESNJCPZRUKOE-QGZVFWFLSA-N 437.525 2.128 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(F)cnc3Cl)CC2)cc1 1460561197 RGCRICNWNJNRKP-UHFFFAOYSA-N 436.896 2.463 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C(C)(C)C 1465139158 UQCUXBJTSSXSRE-FQEVSTJZSA-N 448.589 2.477 30 10 IEEE C[C@@H]1Cc2n[nH]cc2CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1471817894 SHXWMIPGYYTMPS-OAHLLOKOSA-N 429.546 2.230 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CCO1 1494475575 BLKKCXQGLSEBGB-KRWDZBQOSA-N 433.516 2.463 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1503641756 UBKJHMSLNLFBIP-QGZVFWFLSA-N 444.561 2.409 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOC(C)(C)C1 1507561259 SPNILIIIXFPTPL-UHFFFAOYSA-N 442.564 2.356 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1507605666 XKYWXTBEFBFBCU-NRFANRHFSA-N 443.939 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(C(N)=O)nc1 1507654553 KPMLNBHROMSBRK-UHFFFAOYSA-N 428.496 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cccc(F)c1 1507660481 VNHKGVHLSNVKIT-KRWDZBQOSA-N 431.537 2.123 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1507687356 NRLPOSDNDOPMNW-LJQANCHMSA-N 428.581 2.112 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCS(=O)(=O)C1 1507699273 AWXCAYHDTPVDCV-GOSISDBHSA-N 441.532 2.497 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCOCCS(C)(=O)=O 1507765776 DYHLMVWZTQQKLR-OAQYLSRUSA-N 432.546 2.007 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)[C@H](OC)C1 1507803828 HEYSIFIPZFUVJC-YSHGAJCASA-N 435.569 2.028 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccnn2C)CC1 1508075007 UDLXZTFQZJVLDO-UHFFFAOYSA-N 440.939 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC[C@H]1C 1508075208 WPKNJESDXKHGBT-CQSZACIVSA-N 447.561 2.215 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1508140479 OBCGGEHJSJDWKC-UHFFFAOYSA-N 445.589 2.229 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1508435055 UWKGBKVGKCBPFS-BHYGNILZSA-N 445.568 2.171 30 10 IEEE Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1511060038 GMPFXYZYBPDJBC-GCJKJVERSA-N 426.496 2.353 30 10 IEEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1511372135 JHSWIGCACLQQRG-LJQANCHMSA-N 426.546 2.397 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCOC1 1517104926 BMOYREPRGVQLQL-MOPGFXCFSA-N 429.546 2.115 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(C)COCCO1 1519152497 QNWRISBKYXTNAI-OFNKIYASSA-N 441.532 2.112 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1519382535 LSGUJMXKGOGBNW-CTNGQTDRSA-N 441.532 2.112 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC(N4CCCS4(=O)=O)CC3)cc2)nc1 1525317717 SHLNVDDGSAGPEG-UHFFFAOYSA-N 426.498 2.386 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1539120380 UMJYDSQMIIZKFP-QGZVFWFLSA-N 430.553 2.118 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539133969 NXPSLTFYYMDUGP-UHFFFAOYSA-N 440.617 2.478 30 10 IEEE C=CCCO[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1539199030 GQNPYXWCKBULNP-DOMZBBRYSA-N 428.270 2.272 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539202721 KLLANDLSDXHRER-SJLPKXTDSA-N 446.573 2.484 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1539203066 NFIRKGUKBHHRRJ-NRFANRHFSA-N 441.601 2.087 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(N)=O)cc1 1539333995 RVDJOCRQGBFHRK-UHFFFAOYSA-N 430.516 2.142 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539362272 VMKDCPGBNNCNHN-IRXDYDNUSA-N 442.564 2.353 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCOCC2)CC1 1539441812 VVXUZUPHFYXTQD-SFHVURJKSA-N 428.968 2.074 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539490855 ISEGKMOEYPFHNC-RTBURBONSA-N 432.638 2.291 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1539595966 HSRJHNWUSRTNDO-BORJPKMPSA-N 427.343 2.463 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1539752097 BRDQEAUGMVAIJX-UHFFFAOYSA-N 431.500 2.392 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc4c(cc3C#N)C[C@H](C)CC4)C2=O)cc1 1540206360 ZSSZQZSWYWRCFM-SHACYNPGSA-N 447.495 2.492 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@@H]21 1540880007 UQWPDSNJOXUGSL-BQFCYCMXSA-N 431.562 2.490 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C(C)C)C1 1540885207 DINMRINZCXBBOL-SFHVURJKSA-N 428.493 2.407 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1545708183 DNMCAIZKYDBADA-YWTNHNAXSA-N 432.569 2.230 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCSC1 1555663778 NGCLTURWHBQWMT-ZHALLVOQSA-N 434.610 2.322 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CC(=O)NCC(F)F)cc1 1555991639 SFLRHHCJLQBHBJ-WBVHZDCISA-N 430.459 2.489 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(-c3cccnc3)n2CCOCC(F)F)CC1 1555991673 ZNVFIFDPOVAGBV-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1ccc(S(=O)(=O)NC)cc1 1557966355 YCISTAKZHDTCGT-UHFFFAOYSA-N 440.525 2.318 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 1558494269 CGANAIVRLBKWES-UHFFFAOYSA-N 441.509 2.232 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 1559344899 DEZMZAIXCUWJDH-UHFFFAOYSA-N 444.538 2.288 30 10 IEEE COc1cc(Br)c(Cl)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585137915 AVYFYJBLSNXCSN-VFZGTOFNSA-N 433.711 2.121 30 10 IEEE COc1ccc(Br)cc1C1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1585297193 PQGUIDJLDLFMSY-WUKNDPDISA-N 434.290 2.132 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)nc1 1587574148 CETDNZYUUOQNDS-NSHDSACASA-N 428.294 2.036 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1587640209 QCLCMDUANBRTHQ-XHSDSOJGSA-N 425.505 2.029 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)N(C)C 1587946204 WZPIEISKIKCPSM-LJQANCHMSA-N 433.545 2.355 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1588074008 HBKNJLIMMACKER-PKOBYXMFSA-N 436.578 2.106 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCN(C(C)C)CC1 1589233901 MEAOSLQIODMNOZ-HSZRJFAPSA-N 439.608 2.367 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589404483 JRNMDEYLXZFCIL-WMLDXEAASA-N 445.383 2.096 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1594830112 UDKLSZZRJRDTAS-FQEVSTJZSA-N 437.592 2.347 30 10 IEEE CC(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1596743337 JCBVWXPNYWAWBU-UHFFFAOYSA-N 436.564 2.130 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)c1C#N 1609507810 UTUYGHWYPKYRRP-UHFFFAOYSA-N 429.282 2.029 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1617149588 GPBUATZNYFLQKI-SFHVURJKSA-N 426.521 2.116 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1619616520 XMHOWPPRPUUFMN-GOSISDBHSA-N 426.496 2.392 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1620838210 IGFYUCNCBAUOAU-OAHLLOKOSA-N 440.493 2.200 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@@]2(OC)CCS(=O)(=O)C2)cc1OC 1621076233 QABOIUMOIHTLES-KRWDZBQOSA-N 434.352 2.316 30 10 IEEE CC(C)OCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1621572541 AQSNVPUZJHKIFJ-FVRICEFQSA-N 434.581 2.342 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1 1622413332 INLIZMUNVPVLAP-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H]1n1cccn1 1624308032 OGDRICVLCFGQNK-KZNAEPCWSA-N 434.493 2.247 30 10 IEEE Cc1cnn(-c2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(N)cc2F)c1 1626700048 NURKHQCMNTXUCJ-FQEVSTJZSA-N 432.459 2.305 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1628999000 LQGAUCZMPHHZHR-INIZCTEOSA-N 437.594 2.383 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 1629601397 SVFKEODCXYSQPI-NSHDSACASA-N 443.323 2.053 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)nn1 1633656851 IHVTYGHEOSAQBD-UHFFFAOYSA-N 440.504 2.358 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCCC(C)(C)[C@@H]3C#N)CS(=O)(=O)[C@@H]2C1 1634844787 HUVXJUBZLNJTIS-VQHPVUNQSA-N 439.578 2.197 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(CC(=O)N(CC)CC)CC1 1636096022 AFXCCVPQKBBFRP-UHFFFAOYSA-N 439.560 2.500 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 1638679205 YQPOPCOLLARBPS-UHFFFAOYSA-N 430.357 2.262 30 10 IEEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)Cc1ccccc1 1643016630 VSLVGXTUZBSXSO-XSFVSMFZSA-N 434.521 2.370 30 10 IEEE C#CCN(C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788533 YHQGCBSNMOGGFN-SFHVURJKSA-N 435.565 2.121 30 10 IEEE C=CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 1652164558 LZNJDVJVAPLPSQ-INIZCTEOSA-N 442.965 2.341 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C[C@H]1C(=O)OC 1653676033 NFHCOQSBQWGYNY-QZTJIDSGSA-N 438.484 2.115 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(C)CCN(C)CC2)cc1 1654897500 DZSVRHUYCNFSLN-UHFFFAOYSA-N 438.576 2.092 30 10 IEEE Cc1ccc(Cc2sc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)nc2C)cc1 1654975454 SFHCIMSVDPKYJA-LAUBAEHRSA-N 444.582 2.159 30 10 IEEE CN(CCN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1)Cc1ccccc1 1657261292 HLTIKXZYLSUHAK-UHFFFAOYSA-N 430.552 2.036 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 1664295976 WNHSGNHPXNOAAB-UHFFFAOYSA-N 433.280 2.323 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1667736241 ACJAZADBDCLCLK-LJQANCHMSA-N 447.495 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CCCO 1689833994 UVZKDBQOHNILKZ-GOEBONIOSA-N 435.370 2.340 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1689892307 CHKYQXVLJBPSJY-MRXNPFEDSA-N 447.527 2.058 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2ccccc2s1 1690093550 CEFIYHBUZJIWEO-HNNXBMFYSA-N 447.586 2.237 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)C2CC2)CC1 1690133857 WMSNXDXIAFCQMA-JOCHJYFZSA-N 429.952 2.427 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1690170345 GCMCGEOSAGOSTR-INIZCTEOSA-N 438.557 2.266 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1690254868 JWMUPSVIYKEAMQ-UHFFFAOYSA-N 439.564 2.196 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690470451 BTXLCNGPZZXOGK-YWZLYKJASA-N 437.541 2.092 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](CC)C2)cc1 1690679335 QXLZMYMCOMFWTC-WMZOPIPTSA-N 449.577 2.117 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)N(C)C(=O)OC(C)(C)C 1692696356 DUBZBTKOGCGGTF-OAHLLOKOSA-N 439.520 2.008 30 10 IEEE CC[C@H](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1693972634 VEJFUVLDVKTNDV-IHPCNDPISA-N 439.564 2.436 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1705476560 BKOYDEYPEJCAQV-JKSUJKDBSA-N 431.562 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N(C)C)CCSC1 1705482160 TZIGAEDTKUTANJ-IERDGZPVSA-N 447.630 2.244 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[S@](=O)C(C)(C)C 1705590808 XBDCIFUKWKLOSM-RCRUUEGKSA-N 434.606 2.329 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1705612938 SOJFGVBXLVXKLJ-HXUWFJFHSA-N 425.533 2.361 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)CC1 1705782355 VOLRFGJELIMSOO-INIZCTEOSA-N 439.582 2.107 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705787348 POMTVFMCXMZOQS-IBGZPJMESA-N 430.597 2.275 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705899077 HQIMRFQQIIMVFS-GOSISDBHSA-N 441.923 2.212 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705913118 DUWOWPBYUQPGMK-RTBURBONSA-N 428.533 2.450 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705942758 CNBDYLUOQCTVAW-KRWDZBQOSA-N 429.594 2.340 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCCn1cnnn1 1706070069 GMRQPXLUYXGDOK-NSHDSACASA-N 436.343 2.442 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706342989 WHLKNXVJOTVYGJ-SIUCFOQUSA-N 435.532 2.273 30 10 IEEE Cc1nnc(N(C)CCOc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1707868255 OPIVOEIIFVPTDL-VHEBQXMUSA-N 430.896 2.282 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)C1 1710344974 BNMPXYAHTRFLGV-MRXNPFEDSA-N 438.504 2.380 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1712453156 CYIWVUOOKIKPES-PGRDOPGGSA-N 428.537 2.378 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722334178 CCGUFCLLJXFWTK-GOSISDBHSA-N 438.551 2.211 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCOCC2)nc1 1722346163 NPNGHAAOGDOAND-UHFFFAOYSA-N 433.472 2.203 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722462206 KYNKIRMZRQXQMO-HXUWFJFHSA-N 437.573 2.041 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1722603480 JRHVXPYVVOTOAD-ZWKOTPCHSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722623247 BIYIXVNJLDXDIT-UHFFFAOYSA-N 429.546 2.423 30 10 IEEE C=CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC)C1CC1 1722645373 KPCPWOZMMOKKCS-UHFFFAOYSA-N 427.534 2.039 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1NC(=O)CC1(C)C 1722677786 FMIMOIOVAXUMGJ-LJQANCHMSA-N 441.532 2.270 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1c(F)cccc1Cl 1723911501 HDYAWKMVVUJFOM-RYUDHWBXSA-N 428.921 2.467 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCC(C)CC2)cs1 1725416254 VRSCLJADCUTKAL-QFBILLFUSA-N 429.594 2.483 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1726771109 ACWVWJOJACETIT-BTYIYWSLSA-N 440.529 2.362 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cnnn1C 1740681072 WWCXXWLWRSDDKF-HNNXBMFYSA-N 425.562 2.394 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1 1740710420 WYYVDEJRZBHSPO-UHFFFAOYSA-N 448.543 2.388 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1740885344 DSELURLKZJOLNG-IXDOHACOSA-N 448.568 2.171 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1740890993 ODLYSBDJCZZRKG-INIZCTEOSA-N 430.940 2.398 30 10 IEEE C=CCn1c(N2CCN(c3cccc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1740949779 RTCAWFZMPXOTII-QFIPXVFZSA-N 428.537 2.237 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740958061 HVCYRQKXWOTKME-NRFANRHFSA-N 449.559 2.410 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)C1 1740980887 RXLAGWPMWKMOTD-LSDHHAIUSA-N 447.337 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1740993747 HRPMAPXHZJIXRE-NRFANRHFSA-N 438.594 2.302 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1741876246 ASYGGTXSADLJGS-VGOFRKELSA-N 430.503 2.418 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCOCC)c1 1748694271 CYGHONKYWZCJDW-UHFFFAOYSA-N 435.532 2.232 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 1748784737 SCOGMUMOOSFYPG-GOSISDBHSA-N 433.560 2.382 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CSCCS1 1748784911 VASBUGJTOVXKAC-AWEZNQCLSA-N 426.571 2.110 30 10 IEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748820366 AKNWBQKDLKOISA-MOPGFXCFSA-N 446.573 2.136 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccccc2C)CCOCC1 1748843382 CNOSUXLKVFNOOX-OAQYLSRUSA-N 431.540 2.359 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748912476 DWALKXVDNSSSNX-RUZDIDTESA-N 437.588 2.489 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ncnn1-c1ccccc1 1748959052 MCQAYHWWDRMTIH-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCc2cnn(C)c2)CC1 1749006617 UTZZWKOIEVQMNI-UHFFFAOYSA-N 435.532 2.179 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1749011043 YTLLMYPRUPABBX-UHFFFAOYSA-N 448.571 2.309 30 10 IEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1749023681 ULDNDHHSAJPQFH-HXUWFJFHSA-N 441.601 2.481 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749040021 JKGSRYBEZVTZEX-PKOBYXMFSA-N 427.549 2.431 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749457334 JXLCPHNUZLBQLX-IRLDBZIGSA-N 446.640 2.448 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1749607642 GURLWUWGACDYEV-FGZHOGPDSA-N 439.495 2.360 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1749679756 ALUNSQKRPQZVRG-QZTJIDSGSA-N 442.564 2.087 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1750378536 JYYWASINMQUGMT-LAUBAEHRSA-N 449.481 2.062 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)c2ccccc2)CC1 1750386300 DYENSWVGOXSGJE-UHFFFAOYSA-N 436.541 2.478 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760154601 GVGMRTQOPYLKPQ-DLBZAZTESA-N 447.536 2.176 30 10 IEEE C#CCCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760161300 DHIBJBFNICUREM-CALCHBBNSA-N 440.552 2.382 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1760165858 IEVBZVNLVQBXAU-QHCPKHFHSA-N 439.516 2.051 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760182042 AYIDTFWVPRBIJD-AEFFLSMTSA-N 441.557 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)c2nc(-c3ccccc3)no2)CC1 1760266238 UACUMQFPACPSTR-MRXNPFEDSA-N 433.516 2.406 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccco1 1760548224 BGEIHAQSFGYCGS-HNNXBMFYSA-N 444.517 2.317 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCC2)C1 1761544352 BHBRBCVPYAXYOM-HXUWFJFHSA-N 428.562 2.361 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)on1 1766714622 IXEFKIWDFYPUTK-UHFFFAOYSA-N 443.533 2.079 30 10 IEEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1771043083 BROIICSHDXSVCH-AYOQOUSVSA-N 429.546 2.428 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(C#N)CC1 1772887290 JZUHBUWJNYYPGP-UHFFFAOYSA-N 441.561 2.276 30 10 IEEE Cc1nn2c(NC(=O)c3ccccc3C(=O)N3CCN(C(C)C)CC3)ccnc2c1C#N 1851111811 HEECOIBCBHEVSI-UHFFFAOYSA-N 431.500 2.328 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1851448006 AXJCYWXMXSBLOE-UHFFFAOYSA-N 427.408 2.354 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCN(Cc4nncn4-c4ccccc4F)CC3)cnc21 1851684013 ZTMXFMFCINMQGG-UHFFFAOYSA-N 444.474 2.123 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 1852368254 KUKBAGMSCASULB-WOJBJXKFSA-N 435.484 2.132 30 10 IEEE Cc1nn2c(C)c(C(=O)NC3CCN(c4ncnc5c4CCCC5)CC3)cnc2c1C#N 1852662313 IWKSDOPVGGKFMF-UHFFFAOYSA-N 430.516 2.285 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)cc1 1852835755 JBRVLOOBMPUPRP-OAHLLOKOSA-N 430.983 2.362 30 10 IEEE O=C(c1ccc(CN2CCOCC2)cc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1853064223 BIVZDGJKTUIQTD-UHFFFAOYSA-N 433.452 2.393 30 10 IEEE CN1CCN(c2nc(NC(=O)c3ccc(OCC(F)(F)F)nc3)c(C#N)cc2C#N)CC1 1853400986 DQWXXJNQNPQYGB-UHFFFAOYSA-N 445.405 2.165 30 10 IEEE C[C@H]1C(=O)N(C(=O)COc2ccccc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854656671 OVEMWQOFEYGMDK-AWEZNQCLSA-N 447.900 2.039 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 1857037082 UKGHACCRHOHVDT-OAHLLOKOSA-N 443.447 2.259 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C)CS(=O)(=O)Nc2cccc(C#N)c2)cc1OC 1858111937 XURKQQJJCXNDFU-HNNXBMFYSA-N 431.514 2.312 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1 1862741065 KTHUFTIRKWKHSF-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870708260 ZHYGVUVQYZJXFV-UHFFFAOYSA-N 438.528 2.024 30 10 IEEE C=CCOc1ccccc1OCC(=O)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1873788807 NTADWMGKZNQWCK-HOTGVXAUSA-N 425.441 2.346 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1890840495 ATMIWMMSGSHOJQ-INIZCTEOSA-N 444.022 2.358 30 10 IEEE C[C@@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 1900439966 DVLFYBHDLPFMPX-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)C1(O)CCC1 2067742856 LWHJBXYPHMYJIC-IIAWOOMASA-N 436.358 2.345 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141668315 RNFMMCOJTSMPHU-GOEBONIOSA-N 447.341 2.344 30 10 IEEE C=CC[C@H](CO)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 2202058462 VDMCPCLUVPTKQB-QMMMGPOBSA-N 428.146 2.257 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2224134970 AHWKIHBIIAYISJ-WBVHZDCISA-N 433.358 2.499 30 10 IEEE CC(C)(C#CC(=O)O)NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248461531 VQTCXBLEKHWMQM-UHFFFAOYSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC[C@@H]1CO 2255378073 VIQKTOAKOFUARJ-HZPDHXFCSA-N 433.358 2.093 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603302 CNOVCMCOPAWGSE-OKILXGFUSA-N 434.346 2.179 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2255629578 XXZRZJQHTMVCJR-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCNC(=O)OC(C)(C)C)n1 2255831068 PRAMCICBUQSQEJ-UHFFFAOYSA-N 436.362 2.237 30 10 IEEE CC1(C)OB(c2cnc(NC[C@@H]3CNCCN3Cc3ccccc3)c(F)c2)OC1(C)C 2256897434 VNWFPPHWGNFKFT-IBGZPJMESA-N 426.345 2.406 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267014448 YWBCGDHBFFUIAO-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CN(Cc4ccccc4)CC(F)(F)C3)[nH]n2)OC1(C)C 2267139538 HUYFRQLTJHZDSL-MRXNPFEDSA-N 446.307 2.349 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267140218 OQBMMAGRGSGKAH-KFWWJZLASA-N 446.357 2.227 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267140333 BMGGTWCHFUJXTG-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267142550 WDKWWMGPHQDSEL-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2267152261 MBKYSQXBFCBJNS-MHECFPHRSA-N 436.365 2.032 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2267185506 WGLAMWWJQXNPNI-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267519701 KAYSBZFKKRIQEE-OAHLLOKOSA-N 448.373 2.428 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCC1 2267592582 NRQMJUCLSNGBKD-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879178 GAFWLQALPWYYGC-GJZGRUSLSA-N 446.357 2.199 30 10 IEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2269062886 YAWPPHKOOKIJLT-UHFFFAOYSA-N 441.337 2.233 30 10 IEEE Cc1c(C(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c(O)n(C)c(=O)c1C#N 2314625148 FPAGCMCENDILBR-UHFFFAOYSA-N 443.481 2.494 30 10 IEEE COc1nc(N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501139 CSDWWMJTSKHYLX-XOIINTDNSA-N 431.342 2.349 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2334263194 QWJBDMOTJSHAFE-QLFBSQMISA-N 446.357 2.227 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2337197843 BZMJTKQUIASXOJ-CABCVRRESA-N 448.373 2.285 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337200759 MMTRABMFTSHGEQ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 10092906 MKBXPBFASNKRNM-MRXNPFEDSA-N 449.598 2.346 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 15545019 WXFZNCKVRUGMPB-QFIPXVFZSA-N 438.553 2.058 30 10 IEEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 461189250 CSJZTVKRQRPHTA-UHFFFAOYSA-N 436.497 2.226 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 507790074 VXQPBJJTOCAUEV-UHFFFAOYSA-N 442.541 2.290 30 10 IEEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508504975 LNWBNHLBARNXNA-OAQYLSRUSA-N 432.546 2.309 30 10 IEEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 527478152 AFJADIKJPBPEQW-NRFANRHFSA-N 431.500 2.216 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)ccc21 544773432 ZQFWKLXPQRLIIR-CQSZACIVSA-N 426.498 2.163 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)CC2)n1 545465684 ZSNWZJJPNGJCQL-UHFFFAOYSA-N 446.555 2.409 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)NCCC(=O)OC)cc3)cc2C1=O 591797592 ASWCXRMJPFZXMD-UHFFFAOYSA-N 435.436 2.014 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C 605694126 ZSDUSKSIXJMQRS-IEPHHQHASA-N 432.488 2.483 30 10 IEEE in-vitro CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609731411 NUGQRAVSXKOGMU-GOSISDBHSA-N 440.887 2.471 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)c1 609739297 STASOWBLJPKSOO-UHFFFAOYSA-N 435.524 2.433 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@@]2(CCOC2)O1 619524346 ZWWBZYKPHMWPOG-HSZRJFAPSA-N 436.468 2.481 30 10 IEEE CC(C)(C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCOCC1 725421849 QJJJXVGCSCMCKI-UHFFFAOYSA-N 425.356 2.184 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(OC)n2)cn1 726108911 KIWMKFFMLGBOSE-MRXNPFEDSA-N 428.518 2.107 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCN=c2cc[nH]cc2)c1 735863090 HJVTZARFLDEGIP-QOMWVZHYSA-N 444.561 2.330 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C#N)cc1 740212469 OJSFODFMCIFNBD-IFXJQAMLSA-N 441.371 2.416 30 10 IEEE Cc1nn(C)c(C)c1NC(=O)COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 746183371 YQPIPKTVBXXLJQ-UHFFFAOYSA-N 443.407 2.302 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 747237328 IGBGNLMMMSHILL-DHZHZOJOSA-N 425.510 2.251 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)s2)c1=O 758090659 QOKXOGOEQBQUIR-UHFFFAOYSA-N 433.352 2.239 30 10 IEEE COCC[S@@](=O)Cc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760929685 JPDWRZDUEMATDM-SSEXGKCCSA-N 427.530 2.202 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCCCOc2cccc(C#N)c2)CC1 763907920 JOPSFLKWOAKHJE-UHFFFAOYSA-N 446.529 2.311 30 10 IEEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O 774280113 LBOWNHHQYMRJQZ-GOSISDBHSA-N 434.606 2.409 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCOC[C@@H]2c2noc(COC)n2)ccc1OC 780826900 DSJUAJWWKQMWHB-JKSUJKDBSA-N 445.476 2.189 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)Nc2nc(CN3CCN(c4nccs4)CC3)cs2)cc1 780985207 BYPNUJLVYDKUGF-QGZVFWFLSA-N 440.554 2.466 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)n1 788914895 HRTFNYMXKTUHLC-QGZVFWFLSA-N 425.489 2.392 30 10 IEEE C=CC[C@@]1(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790547687 XGBFPOGYVWNGID-FQEVSTJZSA-N 429.583 2.120 30 10 IEEE COCC1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 792894555 ZCMBMMBWNPPPHH-UHFFFAOYSA-N 443.548 2.266 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CC3)c2=O)s1 794609801 SHTMSNHUFPSNSQ-AWEZNQCLSA-N 443.594 2.398 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 800038995 NBURHPBJCHQYNN-QZTJIDSGSA-N 444.598 2.205 30 10 IEEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 802322184 ZTBDLXJCXUDWLJ-ALOPSCKCSA-N 441.557 2.176 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 807171323 QQJMIDUSSZSCPO-ZWKOTPCHSA-N 431.489 2.305 30 10 IEEE CCN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H](C)CS(C)(=O)=O 807249669 CFXGCGRZZIMUPC-AWEZNQCLSA-N 433.555 2.185 30 10 IEEE C#CC[C@]1(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 808597048 QBLHMBVDXQTDDA-HSZRJFAPSA-N 433.549 2.066 30 10 IEEE C#C[C@H](c1ccc(F)cc1)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 812221168 GTUUEGJFFZPVMX-QZTJIDSGSA-N 438.484 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@@H]1CCCO1 812275227 PGCKEMXAEFWYIH-MJGOQNOKSA-N 443.573 2.367 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 915195995 PHJBAVGLKUNQOU-YFHOEESVSA-N 428.489 2.431 30 10 IEEE C#Cc1cccc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)c1 915838171 VEOKNOORHPIGLP-UHFFFAOYSA-N 435.299 2.422 30 10 IEEE Nn1c(NN=Cc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084156187 YBFMRLMOEXJPRT-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1124650013 CNWBXXFJCLEVMC-CQSZACIVSA-N 428.518 2.125 30 10 IEEE CCOc1ccc([C@@]2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2(Cl)Cl)cc1 1134056181 MHRLRRJJTJJRFO-JCGIZDLHSA-N 443.352 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N[C@H]3CCCN(O)C3=O)s2)CC1 1141463751 RTFBISCMQPMTES-AWEZNQCLSA-N 438.550 2.443 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)cc1 1162127610 ALMUWOIKJCZQHY-UHFFFAOYSA-N 428.510 2.420 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c2ccc(Br)cc2nn1C 1266190576 CKBIIWAUMMNXEK-GFCCVEGCSA-N 440.305 2.348 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388306 NCDAWDKFSNJBBB-QUCCMNQESA-N 444.557 2.005 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286491466 SVSWXHOLICCSPK-GOSISDBHSA-N 446.596 2.356 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1286505069 UWKJYKKXPGCCPC-HOTGVXAUSA-N 438.557 2.172 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286537205 YPDLUFGUIVTBBN-KRWDZBQOSA-N 440.367 2.207 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 1286651647 HYGAVGOBHWDCMY-UHFFFAOYSA-N 440.939 2.441 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(N)=O)nc2)CC1 1286653341 VENKPXYJQXHZSE-UHFFFAOYSA-N 425.537 2.141 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1286701077 VBTGMMHXBWAVID-ZHRRBRCNSA-N 448.568 2.254 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286712394 XXPZQWFCNHYJBS-IAGOWNOFSA-N 432.525 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(F)cc(F)c2C1 1286793977 REZLAMPVRCDMQM-YWZLYKJASA-N 447.486 2.145 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1287845347 NILJRXMCNXRJRN-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1290364818 AQGRHQFEFUYTCN-KRWDZBQOSA-N 442.988 2.179 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)CN2CCOCC2)n1 1290631946 ACDCKDOOUYQALX-JPYJTQIMSA-N 440.596 2.238 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1 1294249107 CHOGQWDAHSWKTQ-OAHLLOKOSA-N 431.367 2.384 30 10 IEEE CCN(CC)[C@H](C)Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295558979 BGYBXULQORJWDY-MRXNPFEDSA-N 425.585 2.126 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1296264923 NKVXTLGTNBMHDK-UHFFFAOYSA-N 443.511 2.400 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H](C)CC#N)c1 1299060495 NKAKQOLLFXVVSX-SNRMKQJTSA-N 426.521 2.148 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1299455798 AEXBZFSXJWKJTP-QGZVFWFLSA-N 442.545 2.370 30 10 IEEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCCCO)c1 1300390194 ZWTKZIQYCKIEFD-IBGZPJMESA-N 442.589 2.246 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1300761660 DHZODRKIZWAOGJ-KRWDZBQOSA-N 446.646 2.490 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCOC2(CCOCC2)C1 1301510474 YFOHMFFNOVDQEM-UHFFFAOYSA-N 439.560 2.141 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1303204121 GBPOTYLWKPGEEZ-QIJUGHKUSA-N 438.576 2.381 30 10 IEEE Cc1nc(C)c(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)s1 1304643331 BSTQSZPSPCOCJA-AWEZNQCLSA-N 443.558 2.120 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCc3nnc(S)n3C3CC3)CC2=O)cc1Cl 1306577822 QDGJKLBRZMZJFO-LBPRGKRZSA-N 430.921 2.139 30 10 IEEE C=CCC[C@@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1311666699 LFGDHLPTWGPWIR-SFHVURJKSA-N 428.512 2.069 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1313276336 VBPDLACYMCQZGD-IBGZPJMESA-N 449.573 2.256 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1313825007 BVPOJWSTVPNPFE-UHFFFAOYSA-N 428.493 2.270 30 10 IEEE CCNC(=O)C1(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1313979394 DHGFTPJXHWRYCC-VGSWGCGISA-N 432.569 2.363 30 10 IEEE COCCN(C)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1316072846 DRTOQGHWEZPVIE-UHFFFAOYSA-N 443.571 2.392 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358916330 IJJSBUXMWLKJCT-FQEVSTJZSA-N 429.496 2.141 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1358930133 OXLNXNDPUPJKMR-MJGOQNOKSA-N 432.521 2.311 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1358956709 JSDZHQHGUFNTKV-ZDUSSCGKSA-N 429.365 2.086 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1358959343 GZLWIOFBXSONMB-QGZVFWFLSA-N 446.598 2.500 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1358975075 AWMZVJDSHOGZNV-UHFFFAOYSA-N 426.406 2.334 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359197603 UERXSETYURJERU-UHFFFAOYSA-N 440.596 2.316 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359229135 ZRNGELPWXZXIDZ-LJQANCHMSA-N 430.597 2.304 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359298085 MCSOBRFBEDEGMC-QGZVFWFLSA-N 441.536 2.136 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC(C)CC2)C1 1359313175 HXAOUOOVYWCOJS-REWPJTCUSA-N 433.597 2.443 30 10 IEEE CC(C)C[C@@H](C#N)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1435804271 VCIHLTSQRZGFDJ-YCRPNKLZSA-N 425.526 2.389 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)CC2)cc1 1440744547 VXXBYUVRMRFIJM-UHFFFAOYSA-N 445.483 2.454 30 10 IEEE C[C@H](CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)N(C)C(=O)OC(C)(C)C 1443769512 MVBFMVUNDRSIPL-CYBMUJFWSA-N 427.498 2.498 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nc3ccc(Br)cc3o2)c1 1452551407 FWALORHHMJZJRO-UHFFFAOYSA-N 448.298 2.432 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1458849090 HGWYDRUJMZFVGE-UHFFFAOYSA-N 439.497 2.071 30 10 IEEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1461540663 FKRNHHCGCACZIQ-UHFFFAOYSA-N 444.513 2.389 30 10 IEEE C#CCN(CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)C(=O)OC(C)(C)C 1466479435 QKKLMBNJOSIZJP-MRXNPFEDSA-N 438.322 2.304 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 1471040732 DXXCHRLDOXNTNX-YJBOKZPZSA-N 443.529 2.045 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NCCC2=CCCCC2)CC1 1471450654 GFQPQBVQPJUQSS-UHFFFAOYSA-N 430.574 2.214 30 10 IEEE COC(=O)[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1473830173 POUNWPWFXKLFEU-SFHVURJKSA-N 442.516 2.229 30 10 IEEE C#C[C@@H](CO)NC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1476079844 QTSLNFIVFMERKI-WMZOPIPTSA-N 431.489 2.359 30 10 IEEE C#C[C@@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1478369038 KBGXBZVZXRMOSI-MRXNPFEDSA-N 428.352 2.094 30 10 IEEE COc1cc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)ccc1C#N 1478592867 MADYWJKPHPUETI-WMLDXEAASA-N 431.436 2.218 30 10 IEEE COC1([C@H](C)NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOCC1 1478843179 CPVDGFICLYTEMY-HNNXBMFYSA-N 429.477 2.222 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1496187396 GHVDTMBBDPDMII-AHRSYUTCSA-N 426.521 2.021 30 10 IEEE CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1497446332 DYHMUHYUPRZDFU-OAHLLOKOSA-N 426.521 2.258 30 10 IEEE Cn1cnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)n1 1503671067 AQFNMGSXGYLABP-UHFFFAOYSA-N 430.314 2.343 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1505081074 CCNXUIHIQIWUAL-JBYGMCGMSA-N 441.532 2.029 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Cl)cn2)CCO1 1505321261 LULWQCKGJIGATO-MRXNPFEDSA-N 428.840 2.132 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1507531729 CSLXORNGADWUIO-MRXNPFEDSA-N 430.516 2.476 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507573789 JDQSPAIDNZNOJW-AVRDEDQJSA-N 444.536 2.392 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1507589659 YGCOWPHGHXAQPA-LJQANCHMSA-N 449.552 2.190 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCC1 1507603230 NEARDVXIEIBFIG-UHFFFAOYSA-N 440.367 2.083 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1cccs1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507635239 UTXOZVWBXMFYIY-ZWKOTPCHSA-N 447.630 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1507662653 MNQRZYXWMAKIJY-NRFANRHFSA-N 442.361 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)cc1 1507669552 NQOXDKMRJZQQHI-HXUWFJFHSA-N 440.569 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(Br)n2)CC1 1507742154 BJCWEIJRBCFKKY-UHFFFAOYSA-N 431.338 2.012 30 10 IEEE CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1512338666 SWBYGEDXKATCKQ-HXUWFJFHSA-N 448.637 2.432 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1516929208 HLZNCPYZOBCGCZ-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE CN1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1517418856 RQBNCVRACJUWFJ-NRFANRHFSA-N 446.962 2.461 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nc(C)cc(C(F)(F)F)n2)c1 1518826641 LTCFMDLGMQUBRV-UHFFFAOYSA-N 432.402 2.291 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3cccc(Br)c3)CC2=O)cn1 1521060558 IJPPZVQCLDEQGS-PBHICJAKSA-N 446.305 2.026 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CC(F)(F)Br)C1 1521063874 VWNGBWKABZKXRL-AWEZNQCLSA-N 447.215 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)Nc2cccc(C#N)n2)(C(=O)OC(C)(C)C)C1 1529728361 IQUUEXTUVZXWCV-OAQYLSRUSA-N 432.477 2.240 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1533666245 YEGPYRRIYMPBAB-INIZCTEOSA-N 435.299 2.485 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H](C(F)F)N1CCOCC1 1539155256 TUVCBKQBXFDGLL-QGZVFWFLSA-N 434.447 2.279 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539190550 MJDZLFKLNJMEHC-DLBZAZTESA-N 430.553 2.115 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN1CCOC1=O 1539239999 UXWZKWVZPGNYNE-KRWDZBQOSA-N 425.464 2.472 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1539683547 YKIBPWQHCRXIPR-APWZRJJASA-N 449.577 2.269 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539916362 KLJMELXPNZHQHI-INIZCTEOSA-N 430.553 2.295 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](COc2ccccc2)C1 1540874666 NZWBIICKZUOGLW-FQEVSTJZSA-N 449.559 2.347 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1540916932 KDWJCQNXDPRWPI-INIZCTEOSA-N 428.624 2.493 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)Cc1ccncc1 1543022912 SJRMLJJZIDBBDJ-LJQANCHMSA-N 438.333 2.451 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1546074967 DZDTVMJJLDFBCK-FBBFKJPPSA-N 435.532 2.417 30 10 IEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)C(C)(C)C 1554630090 BRFONGHYOGXIIX-CRAIPNDOSA-N 448.593 2.457 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@H]1C[C@H]1C 1555555590 FCMHHUFRXAVAPY-QAPCUYQASA-N 432.550 2.143 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C)c3nccs3)CC2)s1 1556117899 JQOSMANEBVSSND-AWEZNQCLSA-N 440.616 2.117 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)CC1 1556346561 BTPGIRMKOGRGDS-GJZGRUSLSA-N 431.455 2.162 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 1556453518 CIEXZVVTXRWVJM-KRWDZBQOSA-N 433.921 2.129 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)CC1 1560193736 JMVIEKOURQASOF-AABGKKOBSA-N 435.613 2.161 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2)CC1 1564547280 KOTCIEUPESBARJ-HSZRJFAPSA-N 446.555 2.305 30 10 IEEE C#CCOc1cccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1565728209 GPKYDZLXNGMTEP-AYOQOUSVSA-N 448.541 2.307 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(C(N)=O)nc1 1587937698 RWWAJNYXLMOCKB-UHFFFAOYSA-N 425.290 2.319 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1588003101 PWTGVCHZNVPEBC-MRXNPFEDSA-N 431.466 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCC(C)CC1 1588159424 WHNKVJWONGHQSR-LJQANCHMSA-N 438.601 2.463 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1588263262 SALVWVPKHCQHOX-SFHVURJKSA-N 431.924 2.127 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1589216638 UAVVPYCHPHLJGF-GHTZIAJQSA-N 433.622 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1589530805 YBTXUNSWDPXDFG-NSHGMRRFSA-N 439.564 2.457 30 10 IEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1594767282 QWDSKEVMSFPVGM-UHFFFAOYSA-N 436.516 2.488 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1595171429 VJQKAELQWLKJRD-NHCUHLMSSA-N 430.597 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cc(C)on1 1595507183 YXPGQUXBMKRHEJ-UHFFFAOYSA-N 426.477 2.197 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2C[C@H](C)O[C@@H](C)C2)CCOC1 1596792365 VXAVZRGUOAFDIT-NVJIOZQYSA-N 448.612 2.414 30 10 IEEE CC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1612730247 ZQTXFRDRTISAPJ-TWNBJNNISA-N 428.537 2.323 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1616950031 HYDKTOUOCHAVBS-NRFANRHFSA-N 440.548 2.066 30 10 IEEE CC(C)(C)n1ncc(C(=O)NCc2ccc(C(=O)NO)cc2)c1I 1618007655 NGLLMJSYZFLIGQ-UHFFFAOYSA-N 442.257 2.292 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1619589381 CIIGIIOIEXXVLX-MRXNPFEDSA-N 440.504 2.090 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)CC1 1622395804 KEGFCMBSOYELKH-UHFFFAOYSA-N 436.497 2.204 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc2ccc(Br)cn2c1F 1622979486 HJTBYPSXUNBODP-LLVKDONJSA-N 444.268 2.248 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cs1)C(N)=O 1624572396 BVXSUVQGWMQPMF-MSOLQXFVSA-N 443.598 2.451 30 10 IEEE C#CCN(C(=O)N[C@@H](c1cc(OC)cc(OC)c1)c1nccn1C)C1CCN(C)CC1 1628943644 PDUHZMHMRWNXHQ-NRFANRHFSA-N 425.533 2.266 30 10 IEEE COCCN(CC#N)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1629261905 VBHMYIXNBABORI-QGZVFWFLSA-N 433.509 2.354 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 1632876488 KBVDBTITGCHPDM-SFHVURJKSA-N 439.415 2.459 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)c1 1635010810 NRHZCMVZYMKQNS-UHFFFAOYSA-N 437.514 2.097 30 10 IEEE CC(C)CNC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1640247750 IATQFXNWWFYPSB-HNNXBMFYSA-N 428.514 2.250 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnc(OC)c(Br)c2C)c1 1641140162 DOHGONWFNBVKKY-UHFFFAOYSA-N 438.303 2.325 30 10 IEEE C#CCN(CC(=O)N(Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC(C)(C)C 1641367898 YSINFWZAKOYQDB-UHFFFAOYSA-N 434.562 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCc1ccc(CC#N)cc1 1643632149 MRZLAMAMJSUKCV-IPMKNSEASA-N 447.557 2.039 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(n2cc(C(N)=O)nn2)CC1 1647780428 CUEADDCXNZCFRB-ZDUSSCGKSA-N 441.561 2.243 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(c3nnnn3C)CC2)n(Cc2ccccc2)c1C 1654702281 RSHVRKCVNXRGJI-UHFFFAOYSA-N 432.532 2.367 30 10 IEEE CSCC[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 1654706440 HUGZGLKSCHMHBC-UXHICEINSA-N 437.521 2.468 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)Cc2ccccc21 1681225945 ACEWESHESTUCME-CGTJXYLNSA-N 428.489 2.227 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)CC2)cn1 1682060913 OBQPGQBLYHIVNX-UHFFFAOYSA-N 440.935 2.475 30 10 IEEE C#CCC1(NC(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CCOCC1 1685470745 SDJLXZDKQBVWMN-INIZCTEOSA-N 429.521 2.146 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC2(CCOCC2)C1 1687576819 RFBCBEXQGMBNPZ-MJGOQNOKSA-N 447.580 2.174 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@]2(O)CCSC2)n1 1690109126 HNEQPAJWJRNZFR-QFIPXVFZSA-N 444.605 2.286 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)NC2CCCCC2)CC1 1690137193 PQZTWVLGPWVCOG-UHFFFAOYSA-N 442.608 2.380 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2)CC1 1690375395 KAFLPQKDSWGUQF-LJQANCHMSA-N 431.562 2.124 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690470423 BDJJKVLUVUJKDF-BZSNNMDCSA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690675168 QTXFPRCTRWHSTN-LJQANCHMSA-N 440.548 2.080 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690682188 HJJMOBWFCAZFEO-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)[C@H](C)C1 1690859754 USDZUUODXMLIPP-GOSISDBHSA-N 440.548 2.338 30 10 IEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1696577466 IERWDRMVFFMWGG-UHFFFAOYSA-N 440.548 2.194 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1696904138 BATDOIFDEDXPHY-KRWDZBQOSA-N 437.548 2.038 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1705629139 YEGMHSIUDAYBLL-IAGOWNOFSA-N 426.517 2.248 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1705630150 IENWIMSPZQQPKM-FQEVSTJZSA-N 445.527 2.274 30 10 IEEE C#CCN(CCOC)c1nnc(COCC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705630737 DYYMJMVQZTXNLC-GBESFXJTSA-N 447.580 2.404 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705703853 WVNRAXQZWWREBC-NVVBAYIOSA-N 444.580 2.272 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 1708181541 SICPRMWGUNTBAB-NUJGCVRESA-N 429.546 2.255 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708555312 GSLHYCGUNADHME-DMWMMBFVSA-N 440.504 2.489 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1709829911 GIXKNUSLSNUDQN-SBUREZEXSA-N 438.532 2.117 30 10 IEEE COC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1711478577 WTMLGFXEJREXFX-ZDUSSCGKSA-N 441.517 2.424 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](OC)C(C)C 1712536891 HRJLCRQYYBFZDQ-BEFAXECRSA-N 444.536 2.208 30 10 IEEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1712723644 BUXYNEHWBRGKLO-KRWDZBQOSA-N 449.602 2.494 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1722295705 VIPANCQPALEKCG-HOTGVXAUSA-N 428.541 2.027 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1722301916 DOIKVHGPVXNJDE-SJORKVTESA-N 432.546 2.148 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722307295 TVGZAZPBRGVLCR-UHFFFAOYSA-N 434.544 2.479 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1722316510 JISFCTLRVXVATB-FHWLQOOXSA-N 435.594 2.183 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722336379 LRPXVCSJGFVBAY-CQSZACIVSA-N 438.454 2.492 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)Nc1ccc(F)cc1 1722352576 OOOIWFDXMPYQAR-UHFFFAOYSA-N 448.506 2.299 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722364320 FSTBDUGLGMOWSB-OFNKIYASSA-N 444.601 2.355 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1722367637 NGRHWKBEINXWRJ-HOTGVXAUSA-N 426.633 2.021 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722428684 IXCOMLABZNBFRP-FQEVSTJZSA-N 435.532 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)OC)CC1 1722449008 KQQPIRUCUOQUFN-UHFFFAOYSA-N 439.560 2.268 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCNS(C)(=O)=O 1722659888 GIZASLNEAISCSQ-SFHVURJKSA-N 437.541 2.401 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722708189 LYTJYUOANSKKMD-UHFFFAOYSA-N 440.592 2.300 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCCS2(=O)=O)C1 1722718197 QRTMQYPMEZLOTC-FQEVSTJZSA-N 445.589 2.324 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1C 1724437860 HUKZJZZZRIZTSH-WOJBJXKFSA-N 427.505 2.008 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1728325071 HHWYLYIRKYWQAW-SFHVURJKSA-N 441.513 2.383 30 10 IEEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1730485860 YLCISOJJQQRSKH-INIZCTEOSA-N 440.458 2.057 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1730572942 HZZSTNYEWDMLQK-QZTJIDSGSA-N 429.546 2.114 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1OCC[C@H]1C 1730750873 TXKAHEBJYVLDTL-YLJYHZDGSA-N 440.548 2.366 30 10 IEEE COCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730923896 PWJFWCBOESHOSJ-QGZVFWFLSA-N 430.940 2.438 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740579181 PUNIAHAWUOBXTR-HSZRJFAPSA-N 431.581 2.427 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740597408 NXDLUTQFYBBFLW-QFIPXVFZSA-N 444.557 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOC(C)(C)C 1740683510 JCIXMTOHVCJFPZ-UHFFFAOYSA-N 448.593 2.139 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)c2ccco2)CC1 1740698809 WQKXKPVIIXBESA-JOCHJYFZSA-N 436.472 2.109 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)OC)CC1 1740714231 TXGSJXGXEZJYCR-UHFFFAOYSA-N 428.514 2.430 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740781524 LWNLUIOSEODUDR-QGZVFWFLSA-N 428.924 2.421 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1740951350 WBWIQTBOFBZVGZ-IBGZPJMESA-N 440.548 2.459 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1740961152 NGCAAQYZWQCVRX-UHFFFAOYSA-N 438.576 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(CC)[C@@H](C)C1 1740993808 CPDUFQXJEWIYMS-IBGZPJMESA-N 431.606 2.195 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H](O)C1 1747404594 FWOOKIRMNYGHJQ-HKUYNNGSSA-N 431.562 2.239 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1747550383 SGNIDVGQORIYEP-MSOLQXFVSA-N 437.460 2.478 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(C)c2)ccc1OC(C)C 1748523838 AIXMVQOGJCRDNH-SFHVURJKSA-N 437.504 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCN(CC)CC1 1748686785 WTLVMOCFWZKREZ-RTBURBONSA-N 428.556 2.480 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1748697991 BODFAKBREGCLAE-JTSKRJEESA-N 443.573 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(CC)CCOCC2)CC1 1749010945 SQPIZJYCARKKBK-UHFFFAOYSA-N 438.576 2.456 30 10 IEEE C#CCSCCn1c(N2CCN(c3nccn4cnnc34)[C@H](C)C2)nnc1C(C)(C)C 1749049650 NCOKTLZEZMSOEP-MRXNPFEDSA-N 439.593 2.095 30 10 IEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1749103519 AKACIWXKBHJXIR-CJNGLKHVSA-N 448.321 2.366 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749276512 JXLKYJXTBSJOSD-UHFFFAOYSA-N 445.014 2.247 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749288031 KLWKJPQTWMHXHZ-KRWDZBQOSA-N 431.562 2.392 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1749699341 YTLTXPBODWGLSB-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749760105 BYEVPBPXDFNPFG-QGZVFWFLSA-N 447.586 2.271 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1750076183 LLYSGCNIFYZELM-HZPDHXFCSA-N 434.541 2.219 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@]3(CCSC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750442101 QAQVPIJZHWMMHW-PQORCFSTSA-N 430.578 2.435 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1760175885 UKEOUSPDDWMREE-VQTJNVASSA-N 429.590 2.115 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1760228137 WGMZGGHSUWBUJM-KRWDZBQOSA-N 429.496 2.266 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760565728 DCWBUBPERVXXLJ-MSOLQXFVSA-N 440.635 2.352 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761698587 ZZMPVPYUKQZDPE-KRWDZBQOSA-N 431.548 2.386 30 10 IEEE CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1764884687 DMXRAQQCAHLEBO-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)cc1OC 1768524171 URQWHAVABODCHC-UHFFFAOYSA-N 436.472 2.144 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CC2)nnc1N1CCC=C(Br)C1 1771564695 QPMCQDPCWSGIKJ-ISLYRVAYSA-N 447.337 2.246 30 10 IEEE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772750912 CIMFHMCGDNLUGL-UHFFFAOYSA-N 435.477 2.218 30 10 IEEE N#C[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C[C@H]1c1ccccc1Cl 1848726205 AYAKSTMVXBOAGK-XJKSGUPXSA-N 429.885 2.250 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(C#N)c4)CC3)CC2=O)cc1OC 1849699128 FIKFZMQMHZDXEH-GOSISDBHSA-N 434.496 2.277 30 10 IEEE CC(=O)NC[C@@H]1COCCN1[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 1851419291 PTVALAVBMFLCLB-OXQOHEQNSA-N 431.496 2.155 30 10 IEEE COc1cccc(OCC(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)c1 1851771024 RLKXKTDFUYLBAL-UHFFFAOYSA-N 436.921 2.421 30 10 IEEE Cn1nc(-c2ccccc2F)cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852111401 RAVUWFAABDKZIR-UHFFFAOYSA-N 434.475 2.472 30 10 IEEE COc1c(F)c(F)c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c(F)c1F 1852216597 CYOWOLKXHLXUHE-UHFFFAOYSA-N 438.381 2.497 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccccc2)cc1 1858642507 RMPZLTLCVLTVJD-UHFFFAOYSA-N 431.514 2.336 30 10 IEEE C=CCNC1=C(c2cc(OC)ccc2OC)C(=O)N(C[C@H]2COc3ccccc3O2)C1=O 1863720137 CLBPVBWERNQSAH-INIZCTEOSA-N 436.464 2.399 30 10 IEEE CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867603677 UXUUUMIWHNKILJ-RTBURBONSA-N 428.514 2.256 30 10 IEEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1870107725 WARSUEMULAVWLV-UHFFFAOYSA-N 439.435 2.085 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874277418 RQIURDCPQQKMHF-HJGVYBFFSA-N 445.545 2.447 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccn1 1874430957 GLTJNGXGZSRATE-AUEPDCJTSA-N 427.465 2.061 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)CC1 1889419953 YBYNPKJPJXXDOY-UHFFFAOYSA-N 426.605 2.403 30 10 IEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cccn(Cc4ccccn4)c3=O)C2)c1 1891294633 MPZJNJPZUDTTBT-IBGZPJMESA-N 429.480 2.489 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2010227456 ONWIKDXKTLCKKP-IXDOHACOSA-N 439.553 2.027 30 10 IEEE COC(=O)[C@@H]1[C@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@H](CC[C@]24CCC(=O)O4)[C@H]13 2037666378 DDHQRXOAZNEFKY-AYZSOAPLSA-N 430.497 2.095 30 10 IEEE C=C(Br)CS(=O)(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1 2054375369 UJVPCGBZBCJJBB-UHFFFAOYSA-N 441.388 2.478 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060628680 ZZUBRJRYADIQIS-PBHICJAKSA-N 434.342 2.223 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073752377 OWNVRTMOQAWOLN-UJUVCNOISA-N 436.358 2.443 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#CC(=O)O 2229098762 FVAANWYAAIVBHT-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C 2255621230 JRCAFUJLSHWISY-AWEZNQCLSA-N 436.362 2.093 30 10 IEEE CCn1cc(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255648630 NGLQDYADIFETEZ-CQSZACIVSA-N 436.362 2.187 30 10 IEEE Cc1c(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832828 SBJZFYJPNAEAJX-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255877125 HVZSTUQZRRACLR-KDYLLFBJSA-N 431.342 2.414 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)OC1(C)C 2267145673 IABJSGUJFHPTJS-WBVHZDCISA-N 446.307 2.204 30 10 IEEE Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)cc1B1OC(C)(C)C(C)(C)O1 2267231862 IUBXDTXOCWLFQS-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267267570 XQQLOUSRIOWMKO-QHCPKHFHSA-N 446.353 2.088 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267268801 ZIKMCQTWEXAZBW-LSDHHAIUSA-N 449.332 2.458 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2F)OC1(C)C 2267404137 XHYVEPIQAMTGDX-LJQANCHMSA-N 444.234 2.408 30 10 IEEE Cc1nc(NC(=O)[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268608271 HASZDCBXSNCCIH-HNNXBMFYSA-N 444.341 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268785860 LUAGLANPJOYAPI-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(F)(F)F)cc1 2330742408 CYZMVLOVWNEQAX-UHFFFAOYSA-N 442.467 2.434 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO[C@H]1C2 2334265410 IIUAPZSCBIDAAT-QOAZOABKSA-N 448.325 2.133 30 10 IEEE COCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 8617864 HJFFZGUYMUWPSQ-UHFFFAOYSA-N 428.452 2.002 30 10 IEEE C[C@@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 16728155 OWRRIGZRLIJUFZ-LLVKDONJSA-N 432.502 2.089 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc(OC)c1 20424047 NTVBVVVBTRPHLL-UFWORHAWSA-N 430.494 2.041 30 10 IEEE N/C(=N\O)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 96710868 JXFALQVWFRUJAE-JTQLQIEISA-N 427.118 2.015 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 109891045 XXLQKOKTCPMEON-LJQANCHMSA-N 436.493 2.362 30 10 IEEE Cn1c(Nc2cccc(Oc3ncc(Br)cn3)c2)c(C#N)c(=O)n(C)c1=O 301748362 HDICUXYFXRORKB-UHFFFAOYSA-N 429.234 2.044 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCSC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 312149645 OQIVWPHWJCFCFS-GOSISDBHSA-N 448.522 2.445 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 323037144 ZKCIKCIPVYBRER-UHFFFAOYSA-N 445.155 2.272 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 433000734 XNWHARUJAKBADP-QGZVFWFLSA-N 436.331 2.299 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460694475 WVIGUXQTTINNCX-AEFFLSMTSA-N 426.521 2.246 30 10 IEEE CN1CCN(Cc2cccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)c2)CC1 469113243 RTRFRRKXFSCCRE-JOCHJYFZSA-N 449.580 2.459 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@H]1CCCO1 478759922 YSJVLKWJVRRJAC-MRXNPFEDSA-N 444.553 2.337 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccc(C#N)cc3)cc2)CC1 481902482 UCGCZDCVBJENNM-UHFFFAOYSA-N 430.555 2.225 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@]2(CCOC2)O1 485043980 UYGWTVAVQLPSCD-OAQYLSRUSA-N 443.891 2.132 30 10 IEEE COc1cccc2c1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 489387151 HEKWDLADGKXOEE-HXUWFJFHSA-N 432.480 2.399 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CCOC)[C@H]1CCOC1 490307239 NUKOHWPKPJEFGN-AWEZNQCLSA-N 427.295 2.362 30 10 IEEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 511014685 QOIZAKXWYKWIJQ-UHFFFAOYSA-N 448.353 2.430 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1Cc1ccccc1 532325119 RBDPUXFFPHGTBE-UHFFFAOYSA-N 431.542 2.422 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1[C@H](C)C1CC1 539599232 HQNIRGHJEPJZGN-MRXNPFEDSA-N 427.530 2.181 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC(=O)N1Cc1ccccc1 544612964 HARZMJSYEZBVON-YHYVQYDKSA-N 445.523 2.148 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCO1 559184588 DWUNKEMYCQYXBD-FUHWJXTLSA-N 446.577 2.360 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](C#N)c1ccc(F)cc1)n2C 589222705 SKWSOYGNRRPHER-GOSISDBHSA-N 443.504 2.276 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCOc4ccccc43)CC2)cc1 609783249 FWDHGASUTOSOHS-GOSISDBHSA-N 425.510 2.348 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccccc2-n2cccn2)C1=O 726109446 AWPNLRJMOTWAPX-UAPGPWSHSA-N 448.552 2.446 30 10 IEEE C#CCN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)[C@H]1CCS(=O)(=O)C1 729332723 VZTSSBZZJZYQGF-FQEVSTJZSA-N 438.549 2.341 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1COc1ccccc1)[C@@H]1CCS(=O)(=O)C1 731213819 UHGIHTXCWLAOLJ-OAQYLSRUSA-N 426.538 2.004 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCN1C1CC1 732677211 SIDBAQCLWRCVPB-LBPRGKRZSA-N 427.818 2.283 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707979 KAJSPZDUHIYAFA-JXFKEZNVSA-N 437.544 2.004 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn(CCC)c2)c1=O 735069208 ODJKOXAQUHIZDR-UHFFFAOYSA-N 433.537 2.153 30 10 IEEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1 748810033 IBPNCNBSQCQLIF-QGZVFWFLSA-N 429.528 2.457 30 10 IEEE C[C@@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1ccccc1C#N 752609933 NCOKMWBSGBEHMI-HUUCEWRRSA-N 429.498 2.482 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)ncn1 756867643 ILJVIRBTLRFHFF-SFHVURJKSA-N 444.536 2.124 30 10 IEEE C=CCn1c(-c2ccccc2F)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 760415118 PSLNRKIKDFPUSQ-UHFFFAOYSA-N 432.569 2.460 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 764051784 HESIWKVSZIBHLK-MJGOQNOKSA-N 449.529 2.443 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC(OCC(=O)N(C)C)C2)c1=S 765059880 FTFAKHKFMHEHHA-UHFFFAOYSA-N 431.562 2.234 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 783545599 VSRORJBCXSIHHX-UHFFFAOYSA-N 430.452 2.162 30 10 IEEE C=CC[C@]1(C(=O)NCCNS(=O)(=O)c2ccccc2)CCCN1C(=O)OC(C)(C)C 790255858 WADAGQYDIDABSD-OAQYLSRUSA-N 437.562 2.427 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)cc1 794852745 KIANDSVGXHUEIZ-OALUTQOASA-N 439.516 2.338 30 10 IEEE N#C[C@H](C(=O)C[C@H]1CCCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 796628729 DEFALGDARMUWRQ-VQIMIIECSA-N 433.530 2.325 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 812179107 JHLPCQOBVZNBHC-SJORKVTESA-N 437.541 2.014 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)c1 917895281 IOAMMYLNWKDOGS-FQEVSTJZSA-N 443.525 2.403 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2CCC3(CCOCC3)CO2)c1 1125418389 FCNLQKHGGQNGNO-JOCHJYFZSA-N 440.540 2.226 30 10 IEEE C=CCC1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCOCC1 1130902642 YVBKFJOBNBYIPK-INIZCTEOSA-N 437.518 2.237 30 10 IEEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1136456092 WURXPCUKSMLAIB-UHFFFAOYSA-N 448.932 2.026 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1141570804 QGAUKNFHVDDWMU-MJGOQNOKSA-N 442.516 2.349 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 1153530827 SGZZHJRVMXGKGM-IBGZPJMESA-N 446.523 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CCCCN1CCO 1158994751 LGSHLTHUOWIBDF-TZIWHRDSSA-N 442.560 2.356 30 10 IEEE CCN(CCC#N)C(=O)CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1171827585 ULGPCUIDHMFYCE-IRXDYDNUSA-N 428.430 2.424 30 10 IEEE COCc1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(C(=O)OC)c1 1205550170 DLFQVJBLBXAFOW-HXUWFJFHSA-N 436.468 2.414 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286298182 GPDZASBFQVHGDE-PJVZLEMVSA-N 445.564 2.264 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCCCCC1 1286410560 CIQHMKWEZFQMMZ-UHFFFAOYSA-N 443.555 2.382 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1286437680 QNPNDCFRIRZRMM-HSZRJFAPSA-N 435.532 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NC(C)C)CC1 1286486143 ARGQXXCJCIUGNU-UHFFFAOYSA-N 442.951 2.089 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1286672063 GDQBJQAVEMEDPR-IXDOHACOSA-N 425.599 2.306 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286782956 IQMBWXAUNZYWFB-HXUWFJFHSA-N 449.342 2.271 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286826880 WKEDLHGNJBIUBF-HNNXBMFYSA-N 442.549 2.298 30 10 IEEE CC(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286952496 QWRZZHSFRIEGBF-UHFFFAOYSA-N 449.490 2.069 30 10 IEEE CC(C)CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1287851935 JQIJDDOQGKJCQN-CRAIPNDOSA-N 429.587 2.401 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1290978445 GYRGDWRSUQIRSV-OAHLLOKOSA-N 439.520 2.008 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1297176211 QGHLGZDGPYZTGH-HNNXBMFYSA-N 432.952 2.093 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1301003157 FCSDFWOIBHFUCX-SFHVURJKSA-N 428.537 2.177 30 10 IEEE C=C(Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1301007168 FJDRCDAFXVYERE-SFHVURJKSA-N 440.573 2.467 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc32)CC1 1301105301 GUFQDOLBRHHQSY-DOTOQJQBSA-N 431.562 2.467 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1301371859 UIECPZIPGVNOJQ-UHFFFAOYSA-N 443.573 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2ccc(OC)cc2C1 1301579879 ZVNBXEDMSFOUDU-UHFFFAOYSA-N 441.557 2.456 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC(F)(F)CNC(=O)OC(C)(C)C 1301951991 DOIPIBUSGUQOCW-CYBMUJFWSA-N 443.499 2.172 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CC(F)(F)F 1305119275 GKSXTYIKSZOVEC-AWEZNQCLSA-N 443.437 2.203 30 10 IEEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCOCC1 1308088745 LGTNXOJXCQVOMW-UHFFFAOYSA-N 433.574 2.352 30 10 IEEE C=CCN([C@@H](C)COC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1309674208 COEPELXTTRMTEZ-NSHDSACASA-N 426.354 2.064 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CC(CC)(CC)CC3)CC1 1310917750 QUCQLDPKTRDXOC-UHFFFAOYSA-N 439.607 2.055 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C(F)(F)F 1315172718 CBLIJKYVZAHQCL-JKSUJKDBSA-N 436.438 2.486 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCCC2)c1 1316530333 HPJYNAHGBTUTQP-FQEVSTJZSA-N 433.516 2.338 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)c1 1356232756 ASGBHWLRPBZILS-IBGZPJMESA-N 428.286 2.363 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1/N=CC=CC1=O 1358881577 IZLZSPGDTRNDPV-DLTPIXJPSA-N 441.495 2.478 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1358948642 HLOKMXIQQDUKGH-FQEVSTJZSA-N 425.533 2.095 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1358951275 PQFVLRVOMXIONL-OAQYLSRUSA-N 436.585 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1358994696 UIODOHCOBPMHGV-QFIPXVFZSA-N 449.555 2.364 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@H]1CC 1359048882 CVIRBRCGSYPZDP-HZPDHXFCSA-N 425.624 2.414 30 10 IEEE C=C(C)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359124708 ADMPQJAYKXJRPF-MZKRTTBSSA-N 433.597 2.442 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359124761 BZCBNXYWNZDNGZ-REWPJTCUSA-N 432.613 2.111 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359133997 HIRANYAOPLWUMK-UHFFFAOYSA-N 433.578 2.085 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)C)CC1 1359176054 KMCNVTIQKGCXDI-UHFFFAOYSA-N 435.536 2.238 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N1CCOCC1 1359196932 YBPFNVLXZNPCNS-UHFFFAOYSA-N 444.536 2.047 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1359260856 PXDRPQOTVJQXLJ-YZOUICBYSA-N 443.523 2.491 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(C)C)C1 1359321429 GFAUHBORIHDYEX-SJORKVTESA-N 428.624 2.351 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359471870 AYYALSDMCYZEEH-OWCLPIDISA-N 431.541 2.225 30 10 IEEE COC(=O)C1CCN(CCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1443463330 UODLSSKYYLUZJM-UHFFFAOYSA-N 435.565 2.028 30 10 IEEE C[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 1447714798 SIVNDRKNQNKBGT-DNVCBOLYSA-N 447.557 2.286 30 10 IEEE Cc1ccc(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1450199817 PGJJGTGOIKGLLA-OAHLLOKOSA-N 438.550 2.220 30 10 IEEE C#CCN(C(=O)CCCNC(=O)c1cccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812648 KNMMLCKZHNJCNQ-UHFFFAOYSA-N 428.533 2.453 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)C2)nc1 1456065761 SRBHSXJOULHLSL-LEWJYISDSA-N 449.511 2.394 30 10 IEEE CSc1ccc(CNC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)cc1C#N 1462761891 ZSUDIIQNFCQDIE-UHFFFAOYSA-N 438.571 2.433 30 10 IEEE Cc1ccc(CN2CCO[C@@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1 1471223650 VSCWMFRDTSFYIN-SFHVURJKSA-N 445.516 2.062 30 10 IEEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1471331068 BJDHDLOPETVYDV-OAHLLOKOSA-N 434.212 2.369 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nccc(C(F)F)n1 1493168164 BPEGQDMBSAJKCH-ZDUSSCGKSA-N 438.442 2.260 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1496474170 ADEJIWQHEBPKLS-MISYRCLQSA-N 443.573 2.374 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1CC1(C(N)=O)CCOCC1 1498047439 GTMPTOIIAADSJZ-KRWDZBQOSA-N 440.548 2.440 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(C(=O)NC)c2)CCOC1 1502618148 GIZFWZSXKZZSCQ-KSFYIVLOSA-N 426.521 2.076 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1507513507 AEXFVMFRXSUEPN-GVDBMIGSSA-N 431.562 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCNC(C)=O 1507645603 HSWUGKXZHHRUSV-UHFFFAOYSA-N 444.333 2.315 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1507731875 RCVHNUCKTRHKFM-UHFFFAOYSA-N 441.601 2.306 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2c(C)noc2C)C1 1508122828 GRJLOMAEHSMMPM-ZTFGCOKTSA-N 449.577 2.370 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)n1 1510252375 AYGCBTMUWHLIDW-BEFAXECRSA-N 440.483 2.047 30 10 IEEE CCC1(CC)CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1513600857 VFWQFOQWFMYYTK-ZZEZOPTASA-N 436.520 2.278 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(C(=O)OC)CC1 1519261910 UJXJELSLSSENNS-INIZCTEOSA-N 434.541 2.220 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCC3)n2)cc1 1534002845 LHIUAVOCXZAZSK-UHFFFAOYSA-N 428.514 2.376 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539068465 VPOIRXHYMQOFKW-HNNXBMFYSA-N 442.545 2.267 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539210834 GSVXVBXBZXXSMP-KRWDZBQOSA-N 432.521 2.138 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCN(CC)C1 1539242311 RNRURFOFFPQEHU-INIZCTEOSA-N 429.366 2.461 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnccc1OC 1539242374 STRAVRGOYWCGRU-UHFFFAOYSA-N 447.495 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCCC2(C)C)CC1 1539490486 WIFBRGYEVMTYHE-WZONZLPQSA-N 429.565 2.037 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](COCC)C1 1540868932 WWGPTZRSYAZCRC-SFHVURJKSA-N 435.532 2.296 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1540886817 JURKIBAIOXACIV-SJORKVTESA-N 435.550 2.052 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1542504879 KROPNAVFAFAZGD-UHFFFAOYSA-N 441.532 2.214 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1546254283 HZEKJAVYOKPHIU-UHFFFAOYSA-N 433.461 2.059 30 10 IEEE CCOC1CC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1548014028 DSAYREOBJAQSMD-FAEJEUNOSA-N 438.598 2.224 30 10 IEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)N(C)C)n(C)n1 1548375101 BZUZXXHWBZACFJ-GOSISDBHSA-N 448.449 2.038 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1552456538 NGHVAASRFQQBHT-QPHCHLROSA-N 442.589 2.172 30 10 IEEE COc1ccc(N(CCC(=O)NCC#CCO)S(=O)(=O)c2cccc(Cl)c2)cc1 1556368892 BWMGBGUEHLEVDC-UHFFFAOYSA-N 436.917 2.046 30 10 IEEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OC 1558384035 SUIIDGZUPTVWQE-QRWLVFNGSA-N 439.871 2.260 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCNC(=O)c3ccc(F)cc3)C2)C1 1565615221 QWCVOQMWKBVPJW-WCCYLALTSA-N 444.507 2.459 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 1584296224 GIQFAQKHKAIYDW-UHFFFAOYSA-N 447.539 2.161 30 10 IEEE CC(C)OC(=O)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1584952507 UUEVHVYUGSOHDE-QZTJIDSGSA-N 428.489 2.246 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1587739699 YNSCSKDYHIEUOU-UHFFFAOYSA-N 440.573 2.386 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588030091 PINDKTAJAFBHSK-GOSISDBHSA-N 432.594 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1C(C)(C)C 1588186087 RLLWJLRBKGSVKS-QHCPKHFHSA-N 439.564 2.176 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCCOC2)n1 1588723385 MJRBAUNGVDRDFP-LJQANCHMSA-N 435.532 2.249 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2csc(COC)n2)CC1 1588892216 ZPBYYOQUNDEGNV-HNNXBMFYSA-N 430.578 2.409 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1594127738 FDQKOTLUMWKFSF-KRWDZBQOSA-N 428.468 2.141 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1594856565 HHBMYUZAJNBYDC-QGZVFWFLSA-N 433.578 2.259 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1594963028 OTVQQZPVJDFUIF-RTWAWAEBSA-N 443.617 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCOC2(CCC2)C1 1595821902 DGYVCYIHFLTZIW-UHFFFAOYSA-N 446.573 2.260 30 10 IEEE CCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1615789958 PPFCSDGWGLLGNU-SFHVURJKSA-N 430.578 2.029 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)CC1 1615993041 CYKNIROHAYASPU-UHFFFAOYSA-N 442.520 2.148 30 10 IEEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)cc1 1616908431 PCIRFCMBPSXLBO-UHFFFAOYSA-N 427.526 2.255 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1618636830 XDKXECDGDDNGBU-FQEVSTJZSA-N 449.559 2.086 30 10 IEEE COc1ccccc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1619427877 GEKDPMQJCRGRAD-GOSISDBHSA-N 429.546 2.171 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3cscc3Br)CC2)o1 1620546287 FOMVRTZOQCTEIM-UHFFFAOYSA-N 438.351 2.459 30 10 IEEE Cc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1627100340 NKBMFPXKBFCSOH-UHFFFAOYSA-N 441.425 2.394 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1628819891 DCQPQHKNNQNQEA-MRXNPFEDSA-N 438.546 2.153 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 1628964770 UNNAMRPYCQKIQS-HNNXBMFYSA-N 425.917 2.166 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1629759651 GVIXRRFZTXCISY-HNNXBMFYSA-N 435.933 2.021 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1630737747 YPXGSNAJSVNEOC-UHFFFAOYSA-N 428.514 2.457 30 10 IEEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1632885111 PZISZOKIEFPCFA-YVEFUNNKSA-N 441.431 2.359 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 1632960554 JQHTYVBFVKHHMS-UHFFFAOYSA-N 441.340 2.010 30 10 IEEE COC(=O)C1([C@@]2(O)CCCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)CCC1 1639507188 VMYZWNRVXVHCJY-JOCHJYFZSA-N 448.541 2.074 30 10 IEEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1639822195 VUQUTMVNSPPEDW-VIRVFLBCSA-N 447.557 2.285 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)cc1 1639973535 DBGNUNLYTLHVJP-INIZCTEOSA-N 433.436 2.085 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)C(=O)OC(C)(C)C 1640182807 CWLXQUWNDWQTIQ-ZBFHGGJFSA-N 437.562 2.234 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1644438756 SFDUHPUBGSATGB-UHFFFAOYSA-N 430.530 2.096 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC3(C(=O)OC(C)(C)C)CCOCC3)ccc2c1=O 1646506652 GGDAKZVCVCFHEI-UHFFFAOYSA-N 445.541 2.492 30 10 IEEE C#CCN(C(=O)c1ccc(C)c(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973710 UINVMRDDXZCBNR-UHFFFAOYSA-N 435.546 2.117 30 10 IEEE C=CC[S@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 1653397733 ZPGQEOCZWTYWSM-MUUNZHRXSA-N 435.527 2.163 30 10 IEEE C=CCC1(CNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CCCC1 1668510908 RPBWIJGXFRPAFC-UHFFFAOYSA-N 436.358 2.347 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1682007883 BJEULQBZVXLZMI-GOSISDBHSA-N 434.468 2.492 30 10 IEEE Cc1ccc(CNC(=O)N(C[C@@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)cc1C#N 1683990161 FAGFBZVVYQTJEW-OAQYLSRUSA-N 438.528 2.254 30 10 IEEE N#Cc1c(CCCNC(=O)NCCC[C@@H]2CCOC2=O)nn(-c2ccc(F)cc2)c1N 1684980979 PPHYKCZGGSGYDE-CQSZACIVSA-N 428.468 2.040 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 1685003054 QOGAGHCBHAFLFE-HNNXBMFYSA-N 433.578 2.333 30 10 IEEE COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)NCC#CCN(C)C)c2C)c1 1687889134 NMWQOKAJIOANSQ-NRFANRHFSA-N 425.533 2.146 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H](C)N1CCOCC1 1689864438 AFGRNGNHGKKTMO-RBUKOAKNSA-N 427.549 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CCN(C)CC1 1689951393 WCUHRFNWQAICFQ-UHFFFAOYSA-N 447.630 2.245 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689994116 RGZCADCAGZWPHP-MISYRCLQSA-N 427.574 2.327 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690224100 BBONPDVOBJQWLB-OAHLLOKOSA-N 445.321 2.326 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1690299399 QCMIEOOAVCOJPA-QHCPKHFHSA-N 443.523 2.344 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1690655131 IALWKKBOKYOBCU-GOSISDBHSA-N 426.496 2.297 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ncccc1F 1694326242 HBOYWOAPUWCWMO-HXUWFJFHSA-N 433.463 2.252 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H](C)OC 1698164914 LAGGEMXBTIXCFP-DLBZAZTESA-N 446.527 2.374 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC1(COC)CCCC1 1698253708 BVXFSDQJNAWDQT-OTWHNJEPSA-N 433.553 2.328 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1705563947 IHRJGXNQRXTDRH-FQEVSTJZSA-N 441.557 2.260 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(F)cc(OC)c2)CC1 1705652833 PBLPMCMOTITFQO-HXUWFJFHSA-N 441.507 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCOC[C@H]1CCOC1 1705669442 MWLNPJQKIHBSKR-UEVCKROQSA-N 432.565 2.366 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1)C1CC1 1705856443 SKEQWQSWUCRHIQ-MFEFFIJZSA-N 446.596 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1705917759 ZKXPOWOUWZWLSM-GUDVDZBRSA-N 437.610 2.387 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@@H](C)O1 1708234211 JKKPWDKGUPUHKO-GUDVDZBRSA-N 440.548 2.063 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1711316223 BSVNXLCXAMYDCH-XMMPIXPASA-N 449.559 2.182 30 10 IEEE COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712461157 FPHOGEWALYUTLM-UHFFFAOYSA-N 439.470 2.387 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722361401 MRFOAEONIDABHN-MRXNPFEDSA-N 442.545 2.197 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722370587 CQMOTRKICBWVDX-IBGZPJMESA-N 428.558 2.223 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)[C@H](C)CCC 1722384997 XERBVQIEZJFAHV-NQIIRXRSSA-N 435.528 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1nncn1-c1ccccc1 1722425560 DEIUUNLWPBSMTA-UHFFFAOYSA-N 448.556 2.349 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1722437652 VFASVJJXNRLXRI-IRLDBZIGSA-N 440.567 2.369 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC[S@](=O)C(C)(C)C)CC1 1722440137 DDSUCXWSEMVRAV-HKBQPEDESA-N 443.617 2.202 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(CC)C(=O)C1 1722463264 ZQSZPKKDIJCFPQ-UHFFFAOYSA-N 441.601 2.497 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(ccnc2O)C1 1722464676 OGJRQVWNLWSQIR-WMZOPIPTSA-N 429.546 2.032 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1722468531 NBXNAQDDVBDYHW-DHIUTWEWSA-N 431.581 2.033 30 10 IEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722486585 AKAIPYHEMODGCW-GOSISDBHSA-N 448.365 2.313 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1722699080 REFXVMJJCFWFKW-INIZCTEOSA-N 443.548 2.240 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1F 1723772079 JFVCXWNRSCQWTP-CYBMUJFWSA-N 427.440 2.357 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1730901685 VMFQVAWXLIEUDM-FQEVSTJZSA-N 433.516 2.400 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCCO2)c1 1740562789 OGAAVJKEGPBSGU-QHCPKHFHSA-N 438.532 2.042 30 10 IEEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1740587007 VJTNVHZIOPSEBB-UHFFFAOYSA-N 431.544 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@H](C)C2)CC1 1740706808 DUHICVRYNQTLOY-MOPGFXCFSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740720856 PNGRTMSWLAFKLN-UHFFFAOYSA-N 441.605 2.421 30 10 IEEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1740949914 XOURMNDOPJMDKR-QHCPKHFHSA-N 425.533 2.008 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](C)O)cc2)C1 1740983937 SUPVBDICABLMLE-YLJYHZDGSA-N 425.533 2.283 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1741653525 YMBOIMRHOSZCSA-UHFFFAOYSA-N 433.520 2.380 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1C(C)(C)C 1742022816 OKMSTKQGXKWVNQ-GOSISDBHSA-N 439.564 2.474 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@@H]1C 1746455490 QJPZGNAKAASSKS-MBSDFSHPSA-N 440.548 2.065 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1748698288 SKXFUPBEGKFOAU-IBGZPJMESA-N 428.581 2.450 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C(N)=O)nc2)cc1 1748860559 COEDXCOTZCVNRQ-HNNXBMFYSA-N 435.488 2.004 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccccc1N1CCOCC1 1748964419 CUDBLLGAYBSNRU-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCS(C)(=O)=O 1749357650 YOCTVLMEUMRFDV-UHFFFAOYSA-N 444.565 2.004 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1749669274 FOUZCDZGIQGRHL-UHFFFAOYSA-N 428.562 2.262 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccc(F)cc2)cs1 1751783734 ZVUBVDUWLSCMFA-NQIIRXRSSA-N 442.520 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccccc2)CC1 1760111050 VZNYPCWWPAMDOP-FQEVSTJZSA-N 432.576 2.349 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760130178 GGWVXZVXFKEDJK-HSZRJFAPSA-N 441.532 2.476 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760152737 XJMUEHZWQSWUEK-KRWDZBQOSA-N 440.548 2.408 30 10 IEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760157357 MSEQFHIXOXKFCP-UHFFFAOYSA-N 447.543 2.438 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1760171663 GMDAHJREEYNEBQ-QGZVFWFLSA-N 427.553 2.438 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189685 KYLGVLDUIIFCFY-RBUKOAKNSA-N 447.630 2.222 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1760191181 CFAUPNHHZNGXBC-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC(c2ccccc2)C1 1760195170 XXBYBLDWZNRBLH-PGYGNJIDSA-N 425.558 2.155 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1760225612 ULAIFKKUHGUUSX-AWEZNQCLSA-N 439.969 2.253 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(C)C(C)C)CC1 1760261391 KYPLICPKLCBJRF-QFIPXVFZSA-N 438.576 2.276 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1760351957 MYTYBRKEOACLTH-UHFFFAOYSA-N 446.552 2.011 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760356517 POKPMBCWRBCTTK-NRFANRHFSA-N 449.559 2.016 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1760481081 MRJJGNPCSQNCQT-FQEVSTJZSA-N 425.533 2.224 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCOCC1 1760482889 VHUXAPUPAQUXAN-GOSISDBHSA-N 444.555 2.469 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1760523195 PEIAXMBTBZBFJF-UHFFFAOYSA-N 447.543 2.316 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCS(=O)(=O)CC2)cc1 1760530415 UCYKEWYXNXNXGW-IBGZPJMESA-N 432.546 2.368 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(C(N)=O)CCCC2)CCOC1 1761282257 DSMFGBKYJJRNPT-HSZRJFAPSA-N 444.580 2.494 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ncnn1C(C)(C)C 1764108328 FARNAYOJIPTLKK-UHFFFAOYSA-N 427.557 2.331 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC1(O)CCOCC1 1764909077 DDNFDHNLVICYTF-UHFFFAOYSA-N 428.512 2.109 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](COC)OC)c2ccccc2c1=O 1767159536 HXQOUIZDDLBVOR-HZPDHXFCSA-N 439.520 2.075 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1768335936 MHQPNWRVNSEZOT-NVDIGUCNSA-N 442.589 2.170 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1Cc1ncn(C)n1 1769842775 ZNWFHOBCRJECLG-UHFFFAOYSA-N 445.325 2.251 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1770785514 AXDAIJNZJROKCP-RBUKOAKNSA-N 426.496 2.392 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1771374312 CUIIIYSUTYOWOB-HNNXBMFYSA-N 448.618 2.428 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCOCC2)CCOC1 1772844913 VJKUJJQRTWFYSS-HSZRJFAPSA-N 446.596 2.171 30 10 IEEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCCc3nc(C#N)cc(Br)c31)CS2 1848740557 CGDJOYLLCXJXRM-LLVKDONJSA-N 446.330 2.282 30 10 IEEE C#CCN(C(=O)c1nc(S(C)(=O)=O)ncc1Br)[C@H]1CCc2ccccc21 1851774984 GLIVMKCLLQOEEE-HNNXBMFYSA-N 434.315 2.406 30 10 IEEE N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccccc2)c1NC(=O)[C@H]1CCC(F)(F)C1 1852360501 YMZIMMVSXXIJRG-ZDUSSCGKSA-N 425.399 2.118 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3)CO2)nc1 1852450298 KLUTXGINUDYSHX-AEFFLSMTSA-N 426.860 2.319 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)Nc2cccc(OCC#N)c2)CC1 1852844800 YZMFPXXUXALRRG-QZTJIDSGSA-N 428.489 2.243 30 10 IEEE O=C1C[C@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccccc1 1853005568 JRQVFBJZJKQCSE-AWEZNQCLSA-N 431.436 2.296 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)[C@H](C)C2=O)cc1C#N 1855029627 WTECENRBXIQRHL-CYBMUJFWSA-N 433.436 2.207 30 10 IEEE N#CCS(=O)(=O)N1C[C@H](OC(=O)CCc2ccc(OCc3ccccc3)cc2)CO1 1855053948 HCWDACQXOZCABM-FQEVSTJZSA-N 430.482 2.211 30 10 IEEE CC(C)S(=O)(=O)N1CCC([C@H]2CN(C(=O)CCc3ccc(C#N)cc3)C(=O)O2)CC1 1855108367 KYJMOMIRMGHEMQ-LJQANCHMSA-N 433.530 2.288 30 10 IEEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H]2CN(C(=O)CC#N)C(=O)O2)CC1 1856099384 VYOCFJFXLRYEFC-OAHLLOKOSA-N 425.894 2.310 30 10 IEEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1856510285 RSTKLHXDVIGAKC-QZTJIDSGSA-N 430.574 2.223 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)c3cncc(Cl)c3)C2)C1 1857472496 TVJCSKUWVFQYHZ-AWEZNQCLSA-N 425.876 2.144 30 10 IEEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 1860951788 OGSHFSRIYFIKGS-KRWDZBQOSA-N 425.876 2.159 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 1862416876 KUAHRWVCTNUSKG-GOSISDBHSA-N 432.379 2.090 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)c1 1866929769 TUHNLYNWZZQMOR-NQIIRXRSSA-N 439.537 2.439 30 10 IEEE C=CCOc1cn(CCCCCCO)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870388260 NVLMWXGEUNQVHH-UHFFFAOYSA-N 427.549 2.078 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1Cc1cccnc1 1870668815 LKOOGNPLWNWHCK-UHFFFAOYSA-N 441.528 2.424 30 10 IEEE C=CCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1873775334 WVKHVBUXWQFGQR-UHFFFAOYSA-N 446.525 2.172 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1 1874338497 SFOLRTWVRZBFQO-BRUSPLQXSA-N 444.561 2.209 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1890840496 ATMIWMMSGSHOJQ-MRXNPFEDSA-N 444.022 2.358 30 10 IEEE COc1cc2c(cc1OC)C(=N[C@@H]1CNC[C@@H]1C(C)(C)O)NC(=C1C=C(F)C=CC1=O)N2 2060397645 IXTQNANZDPZION-DOTOQJQBSA-N 442.491 2.028 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141670738 RNFMMCOJTSMPHU-ZBFHGGJFSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141672389 FTZPXTDVMGZYQO-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 2237388101 KJTXRHJAIPUXPA-NSHDSACASA-N 427.114 2.273 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2243435732 VWUOOJMWQKHDIK-ZNMIVQPWSA-N 428.360 2.101 30 10 IEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H](C3)N2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255623020 IJRMDPNMSYAWBO-KBPBESRZSA-N 432.330 2.248 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628690 LIQQNESOWJZSOV-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CCCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2255653508 JRTHLAOXPLXCIC-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE Cc1nn(C)c(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255825126 UOTHWIKMEFKCOR-UHFFFAOYSA-N 432.330 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255945091 QDJLEONZWMGIGY-HZPDHXFCSA-N 432.326 2.477 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256013751 ICPIMSNZCJBVCZ-UHFFFAOYSA-N 432.326 2.288 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256626912 PKUMEWZNERRKRM-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267107268 LCTNVYPERIECPC-CQSZACIVSA-N 445.329 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267107898 RHSYKOBECYXNBN-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE Cn1nc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267126996 FGLHFMLXPJVNTF-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2267139076 ATQIUUOYSZIHFF-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267144381 VUIOKZSOFUEWJR-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2267239583 UMALTWVFQLDKEL-LSDHHAIUSA-N 438.255 2.282 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267272258 YKMRVXUMBLZDTJ-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CC1 2267535484 XFZSYCGXFPIEBD-FQEVSTJZSA-N 438.381 2.360 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268644157 NRCIPGQXGLDFMO-HUUCEWRRSA-N 447.341 2.344 30 10 IEEE C[C@@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268721317 JNBMGOUHPMAAFF-QAPCUYQASA-N 448.369 2.439 30 10 IEEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271383979 DCPRGKZEBFSNGY-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE C=CCc1cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OCC)c1O 2297556150 HJTPJHFNLCJABH-UHFFFAOYSA-N 432.498 2.415 30 10 IEEE CC(=O)OCC[C@@H]1S/C(=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)NC1=O 39843649 PWHCCNSOPSOMDK-ZDUSSCGKSA-N 440.528 2.116 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1OC 59015883 IDPHSZKLORBNAK-SSDVNMTOSA-N 427.490 2.071 30 10 IEEE CCOc1cc(/C=N/NS(=O)(=O)c2cc(OC)ccc2OC)cc([N+](=O)[O-])c1O 169903924 IMXJCEHLWHYNNC-VCHYOVAHSA-N 425.419 2.029 30 10 IEEE CN1CCN(C(=O)CC2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)CC1 466610004 KHFPNHUNGCQGGM-UHFFFAOYSA-N 428.537 2.172 30 10 IEEE CCO[C@H](C)c1nc(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cs1 489575970 XZGSHWWLUVMUTL-OAHLLOKOSA-N 435.575 2.322 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 499042928 HPDZORZBXPULMY-SVFBPWRDSA-N 429.590 2.174 30 10 IEEE Cc1cccc([C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)N2CCOCC2)c1 501118524 QPWQPEQMSUVFCZ-QFIPXVFZSA-N 434.544 2.167 30 10 IEEE N#Cc1cccc(CC(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 534009904 UUHZPJRWSMODDP-UHFFFAOYSA-N 438.509 2.261 30 10 IEEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546216717 FRKBSYJCCBAIJT-JOCHJYFZSA-N 434.544 2.167 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)C[C@H]2c2ccccc2)CC1 553102663 ZONOERURSDRTAT-VQTJNVASSA-N 437.569 2.020 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 570367551 SMFPILNXTILIRU-IBGZPJMESA-N 429.546 2.145 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 583112038 JLKJBRRIOUDIOY-QZTJIDSGSA-N 435.525 2.278 30 10 IEEE Cc1nc(=NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n(-c2ccc(C#N)cc2)[nH]1 610232683 GZIGLEMMKBTYLU-UHFFFAOYSA-N 429.889 2.325 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 618890307 GACFVSARQPFMGG-IBGZPJMESA-N 427.530 2.103 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 670202436 NGEPPISAKNPJGY-OALUTQOASA-N 447.561 2.353 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2csc(I)c2)cc1 730920842 YRJBVDQWNLSONB-UHFFFAOYSA-N 432.264 2.484 30 10 IEEE C#CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 731213737 QHEXYODNJOUXHP-AVRDEDQJSA-N 428.579 2.345 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)O[C@@H](C)C2 732464409 WIOMXTDDCJVWLE-ZOMWOLFGSA-N 440.500 2.090 30 10 IEEE CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cn1 740506954 FTPFUGGYJFPXKK-UHFFFAOYSA-N 440.506 2.340 30 10 IEEE CN(C)C1CCN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2F)CC1 746019069 DLCHLKNZAWMBFQ-DQRAZIAOSA-N 429.496 2.211 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 749788675 NPNDBIJGTPROGD-RTBURBONSA-N 432.590 2.419 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749869680 MVHCCBFDSNFWRG-MRXNPFEDSA-N 442.585 2.061 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)ccc2OC(F)F)c1=O 758053610 IQLCWLUKCPSHTQ-UHFFFAOYSA-N 444.459 2.025 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(F)c2F)c1=O 758091226 USYIBJWRXZFORA-UHFFFAOYSA-N 436.439 2.216 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767874627 YUITXQBUZYXQQH-HNNXBMFYSA-N 441.509 2.070 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 777756064 VGESSLBMZIJEJB-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 784341233 KTWMHCONGSUBIB-KRWDZBQOSA-N 431.426 2.015 30 10 IEEE C=C[C@](C)(CCOC)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 784634813 SPVPFVQHSRGRFC-HXUWFJFHSA-N 427.519 2.102 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CC2)c1 795318327 VKIXGCFQBHQAFY-UHFFFAOYSA-N 438.484 2.022 30 10 IEEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCC2CCC(C#N)CC2)c1 799821686 MFNVKJYQJNIHAE-UHFFFAOYSA-N 435.365 2.461 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 802555979 HUFKGIWSLPCCIZ-GOSISDBHSA-N 440.504 2.011 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 805586805 GUXVOMIYLYNWKC-MRXNPFEDSA-N 430.457 2.353 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 809926133 IAYDFFPRJIGEEV-GOSISDBHSA-N 448.568 2.220 30 10 IEEE C#CCN(C(=O)NCCc1c[nH]c2cccc(Br)c12)[C@H]1CCS(=O)(=O)C1 812513667 UGCMPJBQEJPYNM-AWEZNQCLSA-N 438.347 2.305 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 816290902 VSRNDQSEHFHHAV-OAQYLSRUSA-N 434.496 2.109 30 10 IEEE COc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2c(O)nc3ccccc3c2=O)cc1Cl 916941231 QTFZSQSEWPDCMB-CYBMUJFWSA-N 426.816 2.112 30 10 IEEE C[C@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)N(CCC#N)c1ccc(F)cc1 925344442 PYRUGTVAFFEBOT-HNNXBMFYSA-N 436.443 2.494 30 10 IEEE CCOC(=O)c1cnn(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)c1C 1117184482 CROHLEQBTVPRQY-SFHVURJKSA-N 449.511 2.457 30 10 IEEE COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)COc1ccc(C#N)c(Br)c1 1128209627 FAIMCSUHDWYKEH-UHFFFAOYSA-N 436.218 2.240 30 10 IEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC#CCO)c1 1139145362 ASLNUAARGKRNDO-UHFFFAOYSA-N 448.928 2.455 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1)C(=O)OC 1141994954 DIKZPTFEPGVYFG-RHSMWYFYSA-N 435.318 2.291 30 10 IEEE C#CCN(C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1142046968 SEAJNVUYIARFSN-ZBFHGGJFSA-N 437.518 2.009 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OC 1155475780 SPIQSOQUHFBVSI-UZUQRXQVSA-N 425.485 2.142 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)CCCC2)cc1 1168506323 ZASMRYIBCUUDMU-UHFFFAOYSA-N 438.553 2.366 30 10 IEEE CCc1ccc(C#CC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1177462449 PUEOAVVITNLHTN-IBGZPJMESA-N 434.558 2.141 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NCc3cccc(S(=O)(=O)NCCOC)c3)cc21 1220204331 JQJBZYBADLXKJB-UHFFFAOYSA-N 443.529 2.469 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)c1 1264841358 KWUXNKGSVVMWRV-NRFANRHFSA-N 437.496 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1286278954 IKGPGKDJYHUDSP-AQOAWAETSA-N 444.557 2.145 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1 1286341017 AXBMHPDPYPOWCG-INIZCTEOSA-N 440.573 2.388 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286378467 NPLWCDHFSPGQMH-MRXNPFEDSA-N 442.511 2.356 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)C1 1288974018 AFOTYGMRKUEIHU-AVRDEDQJSA-N 430.553 2.230 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)C[C@H]1O 1299412590 QXPREBXIIZOYOK-WZGPROSRSA-N 427.480 2.315 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 1300280411 CZGVRUUMKKNQCX-NSHDSACASA-N 448.350 2.438 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1c[nH]nc1C 1300281823 DHZXUPZLNUVWPT-HNNXBMFYSA-N 426.546 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1300587504 VIPXPUCWUFTYLD-HXUWFJFHSA-N 442.514 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC1(N(C)C)CCOCC1 1300591457 QGBBTFOGWVITEW-UHFFFAOYSA-N 435.572 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1300664051 LRTSGCHBPZGBTE-KRWDZBQOSA-N 445.568 2.268 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCCN2CCN(CC)CC2)CC1 1300705707 CBKJTNGFJYCSJU-UHFFFAOYSA-N 441.668 2.184 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C)s2)CC1 1300716704 PADWAFFBAKJPNH-KRWDZBQOSA-N 445.589 2.386 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N(C)C 1300816979 ZOGAPGRQBIDIPB-JOCHJYFZSA-N 445.589 2.357 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1300855068 CGMGGMYOJKIGPJ-MOPGFXCFSA-N 440.548 2.219 30 10 IEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCOC1 1300858536 ORMZWAXNFJCCOI-LBPRGKRZSA-N 426.340 2.403 30 10 IEEE C#Cc1cncc(C(=O)N(CC)[C@@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1300909975 BNQGXFMQIAPWTF-KRWDZBQOSA-N 428.533 2.383 30 10 IEEE C=C(C)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300969949 FJHURGLRHMPUSN-FXAWDEMLSA-N 426.583 2.298 30 10 IEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1301225486 FYALVWPWGYOUKP-UHFFFAOYSA-N 426.565 2.054 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1301467554 ZCGKVJHSPJCOFJ-UHFFFAOYSA-N 426.496 2.078 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2F)C1 1301537430 AMQXHILZAHQGHK-NVXWUHKLSA-N 437.541 2.051 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CCc1nnc2n1CCCCC2 1301805385 HFDCFXAXRMBBKD-UHFFFAOYSA-N 437.552 2.211 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1301859248 AMLKEAFPNUCPTC-NTKDMRAZSA-N 447.543 2.442 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1302059376 DCWADPSWPKLGOB-HXUWFJFHSA-N 431.516 2.272 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C#N)CC2)CC1 1302425163 CXPPRGZUSBRPAB-UHFFFAOYSA-N 430.490 2.170 30 10 IEEE CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1302995451 IJSVRFNQBWEPCN-KRWDZBQOSA-N 439.472 2.212 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1303051111 AZQYGMIBGFAYSW-WOJBJXKFSA-N 438.613 2.149 30 10 IEEE C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1303732528 JUKJLEGEQGNIEO-KRWDZBQOSA-N 436.589 2.474 30 10 IEEE Cc1c(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)cnn1C 1304122006 CRDQPPULXRINFR-NRFANRHFSA-N 438.561 2.490 30 10 IEEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1304828545 GQMUVDPIBHVELU-FQEVSTJZSA-N 429.546 2.473 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1306450228 FGBJXJXYDAQPEE-PGRDOPGGSA-N 427.505 2.149 30 10 IEEE COc1cccc(O[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1315585078 GMSCOYOSQMWLDT-LAUBAEHRSA-N 434.500 2.469 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C)n(C)c1=O 1316099406 AIYGGAOBBUWWQN-UHFFFAOYSA-N 436.516 2.376 30 10 IEEE CSC1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1316412052 WDWKDKLSLHWUTN-QGZVFWFLSA-N 432.619 2.487 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1358920244 VUWONZWSIGBUDB-HKUYNNGSSA-N 431.562 2.270 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358961979 HXGJQPPWFCVJNN-UYAOXDASSA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc(CC)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963210 DMCNJMNNYVCVCE-PZJWPPBQSA-N 443.617 2.378 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359000665 BSCUFSJZZCCXCZ-FUHWJXTLSA-N 449.552 2.441 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(N(C)C)CCSC2)CC1 1359033727 NMYWXNMTGFANAQ-QHCPKHFHSA-N 440.617 2.146 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1359103631 QRMQVKRRYKWVFZ-AUSIDOKSSA-N 439.560 2.332 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359228892 RVFQILGVYHYYCU-SFHVURJKSA-N 430.578 2.428 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCNS(=O)(=O)CC)C1 1359317446 JDYDTBGDTRIZGE-HNNXBMFYSA-N 439.969 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1359332999 LVBJOHMQWOJOPE-UHFFFAOYSA-N 445.589 2.149 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1359554124 ACFKWJYVWLWTJQ-BTYIYWSLSA-N 447.515 2.071 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359631293 XCEUFBOQMOSQIG-WOJBJXKFSA-N 449.559 2.226 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1C(=O)CSC1=O 1441886352 BVGPQHWPXQMRHK-KRWDZBQOSA-N 444.513 2.204 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1449431584 ZQQAGUBZSBKUEL-QHCPKHFHSA-N 449.548 2.224 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1454720716 CMGBGHQXYIEQMT-BEFAXECRSA-N 443.525 2.112 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1458677119 MNEYGRNSGBKBAP-OLZOCXBDSA-N 446.451 2.195 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2c(C)nn3cc(Br)cnc23)cc1 1463726896 SFGHGHUCYHTJGQ-UHFFFAOYSA-N 435.303 2.291 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCSc2ncnc3[nH]cnc23)CC1 1463791955 BGSPNJDZTRCVQR-INIZCTEOSA-N 425.493 2.383 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1467571600 HUDWLSPRJXNVSQ-YMTOWFKASA-N 437.743 2.461 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1 1470500061 STMNIIIPCGLLBT-VGSWGCGISA-N 447.557 2.118 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1478832757 FURYHLKGLACAOV-FUHWJXTLSA-N 428.537 2.478 30 10 IEEE CN(C[C@@H]1CCCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1503547025 GVYUOKOPIHVGRP-HNNXBMFYSA-N 432.550 2.166 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1504998470 JGRYNCSCIAONPB-ARFHVFGLSA-N 446.577 2.360 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCC(F)F)CC1 1507721396 SNLRGUVXMHTFEI-UHFFFAOYSA-N 444.530 2.379 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1507747075 AMKVNPAEGLMDPP-HNNXBMFYSA-N 446.964 2.187 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)OC)CC1 1507749519 ZGXBLTZJDOWYSM-UHFFFAOYSA-N 442.541 2.472 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1507762227 RCQRZWRIWXWFRO-HXUWFJFHSA-N 449.602 2.217 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507848266 OLMYXWGNZCPNPT-GOSISDBHSA-N 438.532 2.378 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507913673 YGZVLSVOWCPSDY-QGZVFWFLSA-N 438.580 2.127 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)COC1 1507997932 ZYQURGRWGPJMHE-SFHVURJKSA-N 446.573 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1508144673 RRJIQDGBIKCZDH-MRXNPFEDSA-N 449.487 2.385 30 10 IEEE CC(C)OCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1509847044 MNMNRWYJJNGEHX-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cnn1CC(C)C 1510507035 FOAJUEBACMYNJG-GOSISDBHSA-N 445.593 2.129 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1516776139 RBGABQKFDROSDN-UHFFFAOYSA-N 440.529 2.180 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccccc2Br)c1C)[C@H]1CCS(=O)(=O)C1 1520934550 CKFHGEVVMNZEJX-ZDUSSCGKSA-N 439.335 2.154 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)nnn1-c1ccc(F)c(F)c1 1525126693 DIJWJJVRSYGWDF-CQSZACIVSA-N 432.431 2.439 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1525698931 YTFJDOKKHUAVGY-FDDCHVKYSA-N 425.485 2.341 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3nc(C4CCOCC4)ns3)C2=O)cc1 1532021439 QVCJVHIODVRANG-HNNXBMFYSA-N 440.485 2.147 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CCCN1C(=O)OC(C)(C)C 1537385297 VFVXBASBHQCJMN-NRFANRHFSA-N 447.513 2.144 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1nnc(C)s1 1539156015 ZEPWYVWUDXHFHJ-UHFFFAOYSA-N 428.518 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCN1C1CC1 1539337955 OTKDENKOLJXPTH-BVSLBCMMSA-N 425.577 2.482 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nnc(C)s1 1539405805 MBTNQBNMQLLHEF-UHFFFAOYSA-N 426.502 2.011 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C2CCCC2)CC1 1539462544 WXOSXRMGAPMYBR-UHFFFAOYSA-N 447.587 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCC2)CC1 1539477673 VKQGOEQNNFIRJY-UHFFFAOYSA-N 436.560 2.310 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1539632726 TUDWJRORSJEZFX-NCOADZHNSA-N 426.608 2.103 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)N(C)C)CC1 1539873848 FKBHMWTYIRZUTC-FUHWJXTLSA-N 426.631 2.267 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540036555 ORQDTFZBYBYDMB-PMACEKPBSA-N 430.553 2.093 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540199100 WAWVVHXYNKTTSW-IAGOWNOFSA-N 447.502 2.074 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1 1540806651 ZGIUVCJUPUMULB-UHFFFAOYSA-N 435.521 2.378 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1540873114 NEJWCBRHTRGWQL-UHFFFAOYSA-N 447.543 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nnc(C)s2)C1 1540881170 AHVMUGRXBZMYLM-MRXNPFEDSA-N 431.566 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(C)CN(C)C2=O)C1 1540886546 FRACFJAVSMVELD-GAJHUEQPSA-N 441.532 2.222 30 10 IEEE Cc1ccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)cc1 1542247815 ACQKGRXJMROTPV-QHCPKHFHSA-N 433.491 2.444 30 10 IEEE CN1CCN(C(=O)CC2CCN(C(=O)c3cccc(C#N)c3Br)CC2)CC1 1543099865 WZZXBBXDGKZVHC-UHFFFAOYSA-N 433.350 2.337 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccnc(SCC)c2)CCOC1 1547917559 AKGNMTDVIZDEKS-DYESRHJHSA-N 444.561 2.214 30 10 IEEE Cc1ccn(CC(=O)N2CC[C@@]3(CO)CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C2)n1 1548366733 NKKDFSZCABGZQB-UTKZUKDTSA-N 447.461 2.429 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1555553514 QWFOTCAAZNQNBT-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE COCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1555683538 HAUFJJNAIMEQAM-OAQYLSRUSA-N 434.500 2.066 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1([S@@](C)=O)CCC1 1555744075 RWSYNUDXHRZITR-FGRKSUEESA-N 435.594 2.433 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 1556123303 JUWJLLXMMWOAMJ-UHFFFAOYSA-N 425.493 2.067 30 10 IEEE COC(=O)c1ccc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)s1 1557099814 ZNDMRGSSPSOZAC-UHFFFAOYSA-N 449.554 2.450 30 10 IEEE CN(C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H](c1ccccc1)c1ccc(F)cc1 1560194346 VBDUCXKPGIOJPL-WWPVKYPJSA-N 441.528 2.244 30 10 IEEE COC(=O)c1cc(C2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)no1 1564531229 PKBVXPRJNCZDJU-GDBMZVCRSA-N 447.492 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(c2ncc[nH]2)CC1 1568378956 QLYCPYKRRMFZBK-LJQANCHMSA-N 436.516 2.464 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1 1569240644 JMNZZURSFFFTRH-HXUWFJFHSA-N 428.510 2.086 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1570093052 CRCRTINLPNJZSR-UZUQRXQVSA-N 440.500 2.344 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1587964122 AFJXSUPWMLCVKH-UYAOXDASSA-N 440.475 2.276 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588049175 BGZOBJRTUTXTBD-OALUTQOASA-N 444.605 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@](C)=O)cc1 1588128097 CGVRIQPPRXPUDW-YTTGMZPUSA-N 449.536 2.005 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccoc1 1588140041 SLHDDQXWIOPAFE-GOSISDBHSA-N 425.489 2.301 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)COC2 1588581562 WKYSTTLYLMGTMV-QHCPKHFHSA-N 426.517 2.095 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1NC(=O)CC1(C)C 1588697698 UZUFJNIRWYNJHT-HXUWFJFHSA-N 439.560 2.475 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCOc2ccc(F)cc2)CC1 1588801156 XCEJCELFFQLRKU-UHFFFAOYSA-N 437.523 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)cc2F)CC1 1588913554 MSNUXAWXEPPFEL-UHFFFAOYSA-N 436.491 2.435 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1588976380 WGCFRQFFOFQLHR-INIZCTEOSA-N 427.640 2.408 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1589047821 KHQBEOFWFIOPNX-KRWDZBQOSA-N 428.562 2.123 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1594856545 GVBLMXOPVQNZHG-YOEHRIQHSA-N 441.001 2.467 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1F 1597469069 XNXNWNCFWSXVCN-MRXNPFEDSA-N 446.460 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCCN(C(N)=O)CC1 1610921388 HVQXFTIUCSRVGI-GOSISDBHSA-N 427.505 2.006 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1617291637 LFKLWRMMAZYHGG-UHFFFAOYSA-N 434.909 2.377 30 10 IEEE N#CC1(C(=O)NC[C@H](O)COc2ccc(I)cc2)CC2(CC2)C1 1622536539 ONHXTAPROBFXJN-ZDUSSCGKSA-N 426.254 2.231 30 10 IEEE CN(Cc1ccc(Br)cc1Cl)C(=O)CCn1cc(C#N)c(O)nc1=O 1623453381 HJXVQPNJAQSJSQ-UHFFFAOYSA-N 425.670 2.285 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCc3nnc4n3CCCCC4)CC2=O)cc1Cl 1623903579 GDMYWOHNAFKTOB-HNNXBMFYSA-N 426.908 2.241 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)c(I)c1 1626255035 WRQOJDBJWCTLIG-BDAKNGLRSA-N 437.159 2.416 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCCc2nc(-c3ccccn3)cs2)cc1 1627780636 IVZQEOJELHRJSC-UHFFFAOYSA-N 440.550 2.479 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)C1 1628298999 AAIMUYRESWXVMJ-HNNXBMFYSA-N 447.377 2.374 30 10 IEEE CC(C)C#CC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1629390285 UPXAXYKICSIIRT-UHFFFAOYSA-N 427.364 2.026 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)OC)c2cccc(C)c2)s1 1632834254 CHQKHTNEZOUJJJ-KRWDZBQOSA-N 436.555 2.484 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3cccc(Br)c3C2)c1 1639185644 DRGMJPYAHAGMMU-UHFFFAOYSA-N 449.326 2.395 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1643682726 YWZGCIVRLFRCLM-DHIUTWEWSA-N 425.554 2.307 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1645085760 VVNMQHQUULIMGW-WMZOPIPTSA-N 427.530 2.032 30 10 IEEE COC(=O)[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC12CN(C(=O)OC(C)(C)C)C2 1647764296 LKSKHLMVGDYIRC-CQSZACIVSA-N 435.427 2.319 30 10 IEEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CC1 1662385085 ARKRXZQEMAPZDT-UHFFFAOYSA-N 443.594 2.284 30 10 IEEE C=C(CC)CNC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1678839203 AIQZZACWRLPTFQ-UHFFFAOYSA-N 425.551 2.370 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690080422 SYQSMOBRZLPUJR-GOSISDBHSA-N 436.482 2.377 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690135061 PCSPPJUGPQAYMH-DOIPELPJSA-N 445.608 2.003 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690497405 PDEJTLCSVUFZAC-FQEVSTJZSA-N 438.532 2.459 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1690528218 YGFHDEWYXAZAPW-SFHVURJKSA-N 449.552 2.104 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCc1cn[nH]c1 1690561354 NGRDUMIWSLUMGD-UHFFFAOYSA-N 430.516 2.431 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCOCC1(C)C 1691865468 FYXKSKSHULRVTG-UHFFFAOYSA-N 438.580 2.106 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1692661655 INWMZNYYOIRODF-SJLPKXTDSA-N 433.507 2.358 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1695772350 RHQYMFMUQOMPTC-UHFFFAOYSA-N 434.547 2.018 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c(F)c1 1697460292 CBRNGUVTHGGCJL-AVRDEDQJSA-N 445.495 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1705480260 SHRCGCGQRJQKFO-JTSKRJEESA-N 427.553 2.143 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705515398 CPEHTFARMJUXGU-IRXDYDNUSA-N 430.553 2.478 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1705550400 YLODLYSRWKEFMW-UHFFFAOYSA-N 447.465 2.238 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705565872 JSAQFJGFWFPBPW-RTBURBONSA-N 445.589 2.458 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCOC[C@@H]1C 1705624074 PDMHVYYQCSBGFY-KRWDZBQOSA-N 447.967 2.414 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(F)F)CC1 1705634232 OBZOWTDISQZJND-UHFFFAOYSA-N 443.296 2.420 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1705658016 ZLZKHFHSMPHSOJ-UHFFFAOYSA-N 434.587 2.334 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705754710 DOMNNBBEMFACIA-SVGFKBNWSA-N 444.001 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCCC2)C1 1705922430 MWYPZFOYMSMPSE-LJQANCHMSA-N 427.553 2.253 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1706068189 GBQOCBVNDIWHKS-CYBMUJFWSA-N 425.331 2.041 30 10 IEEE CC(C)c1nnc(N2CCC(c3ccnn3C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706293759 NWULMNXAPCXQQP-VZCXRCSSSA-N 438.536 2.045 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708555316 GSLHYCGUNADHME-NUKLKDERSA-N 440.504 2.489 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H]1C 1710218465 FMPRXUHTILIEKT-ROUUACIJSA-N 439.564 2.126 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)cc1 1712694938 DNGCSBBFZNANPL-LJQANCHMSA-N 429.546 2.115 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccco1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364827 BBEUYQWWBOFXQS-RBUKOAKNSA-N 445.589 2.287 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722372081 OSUBMCLXUCFWDG-RTBURBONSA-N 446.573 2.217 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1722450156 YVTUCNUWGBJNIW-RZUBCFFCSA-N 437.544 2.483 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722455257 RTMSQCASGKAVHM-JOCHJYFZSA-N 441.557 2.045 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1722658323 WBQSFQPUMZFVHE-RTBURBONSA-N 443.573 2.247 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC(C)C 1723420578 KFLSVVUUUXBTKG-UHFFFAOYSA-N 429.525 2.297 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1723499502 GXCKOFPFSWBWME-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726507760 SVJZJQZJGHUPIW-GEKBNLEGSA-N 428.537 2.323 30 10 IEEE COCCN(CCC#N)c1nnc(-c2sc(N3CCOCC3)nc2C)n1[C@@H]1C[C@H]1CF 1730759689 GMNFODQYFBMXQE-JKSUJKDBSA-N 449.556 2.444 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc2c(c1)OCCO2 1730844670 SSVPXVHKYCOTRQ-ZHRRBRCNSA-N 445.495 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nnnn1CC1CC1 1740543365 NPBWQZWQYYMMQU-OAHLLOKOSA-N 436.520 2.255 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cc(C)no2)CC1 1740580087 XKBIZSZWVJSWPH-UHFFFAOYSA-N 427.553 2.229 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1740582166 KYXIQUSPAPOZEF-FXAWDEMLSA-N 445.589 2.470 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1740897632 OXZDIQTZYMQMGL-UHFFFAOYSA-N 439.520 2.339 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1741975869 HYBUWHRKLRTCSJ-JHVJFLLYSA-N 432.475 2.066 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1748716279 XHQNOEBEYRTDFC-RBUKOAKNSA-N 435.594 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N(C)C)CCSC1 1748965323 QABRFUUMVYEOGR-FQEVSTJZSA-N 434.635 2.157 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC(C)CC2)CC1 1748990849 MQWAPGWBKRPBPV-JOCHJYFZSA-N 428.625 2.439 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1749597225 CAMVAYOJUJKMGP-SFHVURJKSA-N 439.495 2.241 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(C)(C)O)cc2)C1 1749716869 DKASXRUPGCZQDA-FQEVSTJZSA-N 439.560 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1760116087 FJBJDOCLYYVXPS-OALUTQOASA-N 442.585 2.387 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760129732 XIJIHSXHDHIBQS-UHFFFAOYSA-N 440.523 2.321 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1760143310 BYHDEVNTROEZRP-UWJYYQICSA-N 430.509 2.003 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1760175569 MNQKCELNPOKEDM-HNNXBMFYSA-N 447.565 2.059 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1760188913 RBLDGMJWYLGHIA-OALUTQOASA-N 446.548 2.295 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCOC1 1760216544 RNZVMIZUSZQKAN-SFHVURJKSA-N 440.573 2.128 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1760263363 YMGZRJFKDLFXSI-CPJSRVTESA-N 437.588 2.378 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760281105 XWODYWPCGJMPDW-UHFFFAOYSA-N 439.589 2.473 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC(C)C 1760339090 YGZHPLIXBZPQEY-UHFFFAOYSA-N 426.569 2.379 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760355105 YQLPZYRPBAUJFS-UHFFFAOYSA-N 441.580 2.000 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760378302 GBBBSLRWBIWWSY-UHFFFAOYSA-N 437.891 2.138 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCNS(C)(=O)=O)CC1 1760405722 DHJJWLWHZWQLMC-UHFFFAOYSA-N 437.541 2.338 30 10 IEEE CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1766719218 FDXKDCSSXJTHDK-HNNXBMFYSA-N 428.518 2.428 30 10 IEEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769276058 GJDRUGAZMBHYSG-OAHLLOKOSA-N 440.458 2.057 30 10 IEEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1769393420 GHZWNTZDJMHBPO-XERREHJYSA-N 430.509 2.315 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1771187920 JXJWQXPBZPUXQY-VBKZILBWSA-N 434.447 2.222 30 10 IEEE O=S(=O)(O)c1cc(O)c2c(/N=C/c3ccc(O)cc3O)cc(S(=O)(=O)O)cc2c1 1848440463 SUUGTVPLTSIKIZ-QGMBQPNBSA-N 439.423 2.201 30 10 IEEE COC(=O)[C@@H]1C[C@@]23O[C@@H]2C(=O)CC[C@]3(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@@H]13 1848441519 UUMOKVKVTZXGNO-WDBZTNMXSA-N 430.497 2.336 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)c1 1848880326 OGOWTEOLHDNBQS-QFIPXVFZSA-N 438.553 2.450 30 10 IEEE CCOC(=O)C1CCN(c2ncc(C(=O)NCCN3CCC(C#N)CC3)cc2Cl)CC1 1852226704 DJWGXPSIHUTJNN-UHFFFAOYSA-N 447.967 2.480 30 10 IEEE CN1Cc2ccccc2C[C@@H]1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1852762968 OIBZTUMBINYJRT-GOSISDBHSA-N 445.976 2.390 30 10 IEEE C[C@@]1(N(Cc2ccc(Br)cc2)C(=O)c2cnc(C#N)nc2)CCS(=O)(=O)C1 1853413042 HHKUPFJEKWAXSM-GOSISDBHSA-N 449.330 2.330 30 10 IEEE Cn1ccnc(N2CCC[C@H](N(Cc3c[nH]nc3-c3ccccc3)C(=O)CC#N)C2)c1=O 1853488233 UWMTVSLXIIBLIJ-IBGZPJMESA-N 431.500 2.082 30 10 IEEE CN1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C23CCCC3)C1=O 1854005031 OLNCWDHHTCBUQB-GOSISDBHSA-N 428.920 2.234 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)Cc4ccsc4)C(=O)C3)C2)c(F)c1 1854319001 MPPXOKKIRZGTGA-IBGZPJMESA-N 426.517 2.247 30 10 IEEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCCN(C4CCSCC4)CC3)CC2=O)c1 1857274677 QNJYLJRLCKEDLB-LJQANCHMSA-N 426.586 2.450 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862705241 SWCPNGFKOOLVIQ-HXUWFJFHSA-N 425.437 2.427 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1C(=O)O 1862738455 BDRDGGUBWNNBTB-SFHVURJKSA-N 439.424 2.433 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc1 1862746125 ZFRAKZHKMBIUPP-SFHVURJKSA-N 440.408 2.342 30 10 IEEE C=CCN(CC=C)C(=O)CNC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 1868624145 ISDQPIMSMPPFMD-UHFFFAOYSA-N 425.938 2.200 30 10 IEEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2n[nH]cc2c1 1869928235 FDJLIZYIECZDTD-INIZCTEOSA-N 429.527 2.362 30 10 IEEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CSc2nnnn2C)cc1=O 1870245938 LEHRDNQRTJPLFT-GOSISDBHSA-N 442.545 2.237 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCCO)cn1C[C@H](c1ccc(O)cc1)N(C)C 1870370252 OQIISBDWSKTPIW-JOCHJYFZSA-N 427.545 2.402 30 10 IEEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561345 JGHWLBWANXZLTQ-UHFFFAOYSA-N 439.512 2.191 30 10 IEEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)nc(Nc2ccc(N3CCCC3)cc2)[nH]1 1871676053 BLHGPQLVBIHKEH-UHFFFAOYSA-N 436.564 2.364 30 10 IEEE COC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(c3ccc(OC)cc3)CC2)nc1C 1872797644 QWADVFYWJYQBCO-KRWDZBQOSA-N 428.514 2.245 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2)cc1OC 1874219597 TZAQATXKBIIYKS-FSJBWODESA-N 441.513 2.246 30 10 IEEE CCOc1cc(/C=N/n2c(C)nnc2SCCO)ccc1OCC(=O)N(CC)CC 1874533932 JLLUTGMEKIUZTL-FYJGNVAPSA-N 435.550 2.199 30 10 IEEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)n2C 1875195644 ODTYUVUKFLUVKE-UHFFFAOYSA-N 434.500 2.253 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCN(CC(=O)O)Cc1ccccc1 2009956152 IOATVPICHTXSOQ-SFHVURJKSA-N 432.521 2.277 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2009972665 RPEQZQAFHNSSCM-QKKBWIMNSA-N 441.525 2.426 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2011680355 JDTMDIVSRPUFJX-HOTGVXAUSA-N 439.553 2.334 30 10 IEEE C#CCCN1CC[C@@H](NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 2024556012 CQPTYYBXXBZGPM-NHCUHLMSSA-N 428.577 2.226 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633979 UGUFPLIRORDWEC-KRWDZBQOSA-N 434.342 2.488 30 10 IEEE CSC1(C#N)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108230665 JYEKHSKFQCNJJK-SFHVURJKSA-N 439.534 2.062 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124535892 NWDVTYBWUNCUJS-UHFFFAOYSA-N 447.385 2.405 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C1 2141665428 NBLQYPVFALXKMB-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2224093284 GNDLFZUYWDVHTE-UHFFFAOYSA-N 433.358 2.237 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229104599 PSVWTNQYSRURSQ-CVEARBPZSA-N 425.323 2.385 30 10 IEEE C[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C(=O)OC(C)(C)C 2243679078 SFFMWEVZFFJNEZ-GFCCVEGCSA-N 425.360 2.314 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247921402 OJIRCWSXGXUCIO-UHFFFAOYSA-N 429.351 2.173 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255382959 OHOZSBSVGUUCKA-INIZCTEOSA-N 432.374 2.344 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626464 GLRXYCXRPSQOBK-KBPBESRZSA-N 434.346 2.132 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1 2255635182 FHNAKXKYSHDADC-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CN(C)Cc1ccccc1 2255640847 MHAKENHFSAXZDJ-QGZVFWFLSA-N 426.370 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](F)C1 2255655004 GRQRXMWOQUHRLQ-LSDHHAIUSA-N 437.321 2.391 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1 2255697769 KVFWXZKETFCTLN-FZNQNYSPSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2255764448 BZYDDBXSUJFDHY-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE C[C@H]1O[C@]2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2258961171 PGAOHFDOKURFJU-UJUVCNOISA-N 434.342 2.342 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267243345 VEOUGZUQFXTRTE-ZWKOTPCHSA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267280241 NWKFEGSJMLVIFR-QMHKHESXSA-N 443.353 2.368 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267513623 PRABVGDPXXTLNQ-CABCVRRESA-N 448.373 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2267523754 GUVUJEFRXXRBTO-ZBFHGGJFSA-N 448.373 2.330 30 10 IEEE Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527310 FQMNVOZGFLFDMA-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)nc2)OC1(C)C 2267608572 HHNIEVPAACPQET-HXUWFJFHSA-N 437.349 2.012 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876817 PRXXYTRLQYSEQB-HUUCEWRRSA-N 446.357 2.199 30 10 IEEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C)c(C#N)c1)NC(=O)OCc1ccccc1 2286022983 VVLAWTBUKGZZDN-SFHVURJKSA-N 431.470 2.076 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)C1=C(O)c1ccc(Cl)cc1 2296073456 BPHSBXKFVTWSRF-LJQANCHMSA-N 427.888 2.489 30 10 IEEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1 2296586534 COJZTGBEKIEWQX-QFIPXVFZSA-N 449.507 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2310284079 KXADGJVMPKKEBH-VIQHNZTISA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2317257094 SIWWFKHCYJRQRN-UHFFFAOYSA-N 429.326 2.251 30 10 IEEE CC(=O)NCCNC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2329761554 HKOPMQQCFUNJDS-UHFFFAOYSA-N 433.464 2.426 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc2c(c1)OCCO2 2330938919 UXKOLFMQNVTQKL-INIZCTEOSA-N 431.518 2.401 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCN2CCN(C(=O)OC(C)(C)C)CC2)[nH]1 2337030937 XVZGKPMQFHKSOX-UHFFFAOYSA-N 446.401 2.076 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 20292918 CETUOYOZGSGUON-KEBDBYFISA-N 442.461 2.086 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)cc1 29759403 GNKPHBAZRSZMMA-KRWDZBQOSA-N 441.509 2.061 30 10 IEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1C 103094445 FPAWBGGEXJFZQJ-QGBVPWCLSA-N 440.500 2.187 30 10 IEEE Cc1ccc(-n2c(=O)/c(=C\c3ccccc3OC(F)F)s/c2=C(\C#N)C(N)=O)c(C)c1 105752318 VGHYAHLJSBRSHJ-CALZSBRTSA-N 441.459 2.106 30 10 IEEE N#Cc1ncccc1Cn1cnc(I)c1I 304394591 LSGQYWKCUFCVGA-UHFFFAOYSA-N 435.994 2.407 30 10 IEEE C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 462098091 BWMNQEUJIGWSNP-AWEZNQCLSA-N 439.501 2.272 30 10 IEEE Cn1nc2c(c1CNC(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CCCC2 463524160 BWXOPZOZPASMDZ-UHFFFAOYSA-N 435.488 2.450 30 10 IEEE CCOC(=O)c1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] 467736502 CKPVIUCPTODAJH-UHFFFAOYSA-N 444.469 2.154 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C#N)cs2)c1=O 481970381 IHWBSTYMQOUFGN-UHFFFAOYSA-N 434.546 2.168 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 503028558 RDZCADFORKAFBQ-QHCPKHFHSA-N 441.532 2.340 30 10 IEEE CC1(C#N)CCN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 505009149 OSSXOCLUFDXOGV-UHFFFAOYSA-N 435.322 2.376 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 506189289 HYUYEXHDVWRAIM-QFIPXVFZSA-N 448.951 2.366 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508866674 MFMOTLKVTOIKER-IBGZPJMESA-N 449.603 2.206 30 10 IEEE CC(C)(C)c1cnc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 509029040 IDYGZSOKMVOGGB-UHFFFAOYSA-N 430.530 2.309 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 517985559 JBAQGRXIBJSEAZ-UHFFFAOYSA-N 437.565 2.160 30 10 IEEE CCn1cc(Br)c(=O)c(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 542732123 ZDTFBMPGIJVXTK-UHFFFAOYSA-N 427.236 2.211 30 10 IEEE N#Cc1cccc(N2CCN([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)CC2)n1 544871646 KBHTWHMAPVRANZ-KRWDZBQOSA-N 440.301 2.170 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C2)c(F)c1 553572929 SZKCJBRQOIRDJB-MOPGFXCFSA-N 436.487 2.320 30 10 IEEE COc1cc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)ccc1C#N 562065746 FOACMAHZWPZWMH-UHFFFAOYSA-N 431.518 2.205 30 10 IEEE N#Cc1ccc(CNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(F)c1 609240013 JFWHUDPONOFMDK-UHFFFAOYSA-N 439.491 2.358 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCC3CCN(C(=O)c4ccccc4)CC3)CC2)nc1 610026852 KELHJTPHNVNVAD-UHFFFAOYSA-N 432.528 2.337 30 10 IEEE CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c(Br)c1 619795659 SYMVMKGFTQGGKF-UHFFFAOYSA-N 447.307 2.342 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)cc1 728831866 XYRDAUPBEZVXPM-VWLOTQADSA-N 444.491 2.322 30 10 IEEE Cc1nccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)n1 730138104 BJZGWKWVJGEXTO-SFHVURJKSA-N 444.536 2.124 30 10 IEEE Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732155492 CMJNPTBYTAOGJL-HTXNQAPBSA-N 430.461 2.426 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)CCN1C1CC1 732709010 YCURTIPSIIUQNM-OAHLLOKOSA-N 449.433 2.191 30 10 IEEE Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)s2)c(C)c1 732909797 FXFMRKVWEKHEPJ-INIZCTEOSA-N 431.539 2.315 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(CCCc2ccccc2)c1 737304869 CTNLUOXCTFRJAL-GHVJWSGMSA-N 446.507 2.443 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC2(O)Cc3ccccc3C2)cc1 738904708 JYRDBULHESGJEK-LKUDQCMESA-N 442.541 2.151 30 10 IEEE COCCOC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747494802 FFENXHKLFCCFLO-UHFFFAOYSA-N 426.429 2.017 30 10 IEEE C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1nc(C(=O)OCC)cs1 749128399 NPAQURWLIPIJRI-UHFFFAOYSA-N 439.515 2.335 30 10 IEEE COCCNC(=O)c1c(NC(=O)COC(=O)c2cc(C#N)cn2C)sc2c1CCCC2 751731066 YIJXAKVXBDWNAB-UHFFFAOYSA-N 444.513 2.009 30 10 IEEE COc1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1C#N 754863897 FWLNERUGVHTMFN-UHFFFAOYSA-N 442.541 2.492 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2cccc(Cl)c2)sc(=Cc2cnn3ccccc23)c1=O 758078917 SOZRZFCSJXCTAH-UHFFFAOYSA-N 444.903 2.230 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 764754053 NJDMGCLKHSDLFS-UHFFFAOYSA-N 426.281 2.241 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 765079880 XCKXJCXIHLBZAV-UHFFFAOYSA-N 444.605 2.329 30 10 IEEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1 766404275 HGQYQHJUXKBXIV-SFHVURJKSA-N 440.573 2.293 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)CCN2C(=O)COc3cc(Br)ccc32)n1 788823986 DGIDTVOABIDAKS-UHFFFAOYSA-N 445.317 2.443 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCn3nnc4c(cnn4-c4ccccc4)c3=O)CC2)c1 803923453 NOHBQFASDJGJLB-UHFFFAOYSA-N 430.399 2.220 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 804458580 FRGHRMSIRSRZHM-DYXWJJEUSA-N 446.956 2.215 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(F)CCC2)cn1 807937548 GNNGXRSFGXGPRQ-INIZCTEOSA-N 438.573 2.185 30 10 IEEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccc(F)cc1 1084050641 TVWYPBHWMMABPP-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1136574962 IGKAJMPMGHLRJJ-AVRDEDQJSA-N 433.553 2.225 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C[C@H]1c1ccc(O)cc1 1141336105 FAQMYAULDXMDEB-DZFGPLHGSA-N 433.464 2.032 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@](O)(c4ccccc4)C3)C2=O)cc1 1166873552 AVDFEYWFPXCKTA-HYBUGGRVSA-N 432.480 2.273 30 10 IEEE C#CCNS(=O)(=O)N1CCN([C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 1168910990 NEZCTFAAUSTHFV-MRXNPFEDSA-N 425.514 2.036 30 10 IEEE C=CCOc1c(Br)cc(CNCc2nnc3n2CCNC3=O)cc1OCC 1179457070 AVLUQSVPVHKTQO-UHFFFAOYSA-N 436.310 2.037 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 1181858925 FHQWURKXTHTYEI-PMERELPUSA-N 429.546 2.135 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)(C)C(=O)OC)cc2)c1 1185625865 UIFRKODREWOEJQ-UHFFFAOYSA-N 428.510 2.378 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCCS(=O)(=O)c2ccccc2)cc1Br 1208505861 ICIMBXAGHCPCIE-UHFFFAOYSA-N 447.307 2.212 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 1221493479 HUQBHAQLBRRDED-UHFFFAOYSA-N 437.562 2.250 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)NCc3nc(C#N)cs3)C2)cn1 1251296302 RTQQPLAMZQEHQU-ZIAGYGMSSA-N 430.534 2.405 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1286299357 VGSNQUODOVGHKY-QFBILLFUSA-N 427.574 2.069 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)cc1OC 1286400540 HUFPJTOFCIYMTE-DEOSSOPVSA-N 438.528 2.457 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](COC)OC)CC1 1286473997 ZOABNVPULMLUAG-GOSISDBHSA-N 448.365 2.124 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286496233 BNPAFUPFZFCLTK-UWJYYQICSA-N 438.594 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)C 1286523112 WAHPYCNBMBQZEL-HSZRJFAPSA-N 433.516 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(N)=O)C1 1286567062 ULMXLGMKFVTBQK-WFXMLNOXSA-N 425.533 2.192 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286670893 OLJBXCGEISRUGS-UHFFFAOYSA-N 449.563 2.101 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O)c1ccccc1 1286678796 DXESWLFEOMCCHN-BHIYHBOVSA-N 445.589 2.240 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1287127855 AOKKBZKQEYBPRI-UHFFFAOYSA-N 432.532 2.448 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1287821559 MAYGABHIHCGAFG-IBGZPJMESA-N 446.577 2.007 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1288248156 NGTUNLGYKLPUFU-QUCCMNQESA-N 438.532 2.259 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1291336281 FRLVFSQUFCPVRZ-HZPDHXFCSA-N 430.509 2.010 30 10 IEEE CO[C@H](Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C 1299722538 BKKWSSNTMMCYGB-TXTKFYIRSA-N 446.596 2.166 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1F 1300018632 KFTXMOJLEHQQFV-SFHVURJKSA-N 443.500 2.411 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC(F)F 1300282040 GBHVVPXLKLMKBQ-AWEZNQCLSA-N 441.504 2.283 30 10 IEEE C#CCCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300376283 IZCKNEOFAIENSL-HSZRJFAPSA-N 444.580 2.116 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1300990407 KKLFKPDJPIDENB-IAGOWNOFSA-N 428.624 2.495 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2CC)CC1 1301111908 JCYSWXPQEWXAAO-UHFFFAOYSA-N 441.561 2.411 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1301500947 RQCWDQHPRFFAPK-ROUUACIJSA-N 441.532 2.443 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301501359 VHIIOBCNHLFCES-HNNXBMFYSA-N 446.939 2.203 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)cc1 1302994010 IDCSWNALVGITQQ-QFIPXVFZSA-N 449.446 2.194 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1)C1CCOCC1 1313043655 SKNUKDMMRSXVMI-DNVCBOLYSA-N 439.512 2.439 30 10 IEEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1316032852 BKOATOSCRROWEP-ZYSHUDEJSA-N 429.546 2.428 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCc3nc(C)no3)nc2)cc1 1354566178 UPXPDDPARGQREG-UHFFFAOYSA-N 443.485 2.411 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1 1355747068 YIFGXISSAUXRKZ-NMWGTECJSA-N 442.497 2.107 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](F)COC)c1 1358902806 ZUAOKIITPPWEFP-ZWKOTPCHSA-N 429.496 2.213 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358931873 RBRJNRICYZNTPT-IBGZPJMESA-N 432.532 2.075 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1358959100 BOLMGRIGICJQTO-INIZCTEOSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCc1cnn(C)n1 1358987775 RKNXKTCYHDCFOB-UHFFFAOYSA-N 433.516 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC2(O)CCC2)CC1 1359042899 YDHNIOPSPCYVOS-UHFFFAOYSA-N 437.544 2.225 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)=O)CC1 1359051516 ZHAHEFYKYHDURE-UHFFFAOYSA-N 428.518 2.278 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1359083246 FZPTUNOCUYVEBE-CYBMUJFWSA-N 426.315 2.160 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(C(C)C)CC1 1359296410 IJTJCZCBAHJNOC-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1359486304 XLMHOBFNNILPLB-HUUCEWRRSA-N 428.518 2.035 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)Cc1ccc(O)cc1 1443467160 UYTVHGARNLDSJX-WMZOPIPTSA-N 433.505 2.427 30 10 IEEE Cc1nnc(N2CCN(C(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)c(C(N)=O)c1C 1443631865 JCFJTLCSTZDGEM-UHFFFAOYSA-N 432.528 2.225 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)n1 1448855722 HORYTCONHUUENB-UHFFFAOYSA-N 435.278 2.405 30 10 IEEE COC(=O)c1cccc2c1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1450849572 ZJBIMCGJFTWWGG-HXUWFJFHSA-N 446.463 2.135 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 1452483463 COZFUSHDSRIKPV-LJFZDNNRSA-N 440.544 2.479 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1455006079 XQHFTPQUELVTQJ-KRWDZBQOSA-N 427.461 2.198 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)NCCc3ccccc3)C2)C1 1464179529 AGJHVPMTVSZBDY-IQJRZOLZSA-N 440.544 2.248 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)nnc1-c1ccco1 1471109610 VDFQSOSIXIWFSY-QZTJIDSGSA-N 446.621 2.404 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)c(OC)c1 1471984051 NXTGHAFXJAONQQ-ZWKOTPCHSA-N 449.511 2.426 30 10 IEEE Cc1cccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)n1 1492528554 AGKAUQBFBCJGKS-UHFFFAOYSA-N 445.527 2.234 30 10 IEEE CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1496548738 XQJUKBMMTIUJQC-UHFFFAOYSA-N 436.520 2.419 30 10 IEEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(OCCCN(C)C)cc1 1499165370 VXVLLZYSBDYDBJ-OAQYLSRUSA-N 437.592 2.396 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1500987453 IMBILEWZBRKSRW-IBGZPJMESA-N 425.585 2.091 30 10 IEEE CN(CC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503451906 RXZIBZQOMPABMX-VLGSPTGOSA-N 445.405 2.342 30 10 IEEE Cn1ncc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)n1 1503691210 FWDUDTKABAFJJO-IBGZPJMESA-N 425.428 2.057 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1507554777 XOPLOYZFYVIIEI-UHFFFAOYSA-N 440.523 2.321 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507709048 QPTKTIVIGKNJCU-QGZVFWFLSA-N 440.470 2.012 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1507753305 DTZUOVCPILAVIP-RBUKOAKNSA-N 425.558 2.482 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC)C(=O)C1 1507960674 VCFUTXGQSBWERO-UHFFFAOYSA-N 427.505 2.325 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCCc2ccccc2)C1 1508111131 CZIVZDFTZVIDBD-HXUWFJFHSA-N 434.544 2.424 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(N(C)C)CCSC2)CCOC1 1509792139 TZKGUZHCNGTVBO-IOMROCGXSA-N 436.626 2.494 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCCCCO)n1 1511129347 RYOQUPKREMKDCC-SFHVURJKSA-N 447.547 2.188 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)cs1 1511545821 LPPMBRFWZJLLNW-MSOLQXFVSA-N 429.594 2.483 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1512104093 COOGHBACKDIKIW-ZHRRBRCNSA-N 443.573 2.381 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1516420659 SQFZRPVZJACROP-AUSIDOKSSA-N 438.532 2.212 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1518647301 KCPGBCBOTBTMFM-NNMXDRDESA-N 433.553 2.110 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1519511141 HIFIYGSRUUEPQZ-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1519894927 PRORGDSNTWGRHA-UHFFFAOYSA-N 439.415 2.112 30 10 IEEE Cc1cc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc(S(=O)(=O)N(C)C)c1C 1531353551 AWGPJGSPHDJSBL-UHFFFAOYSA-N 438.513 2.318 30 10 IEEE COC(=O)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(C)c1 1536383513 IDLRJXGKVXVBKC-VQTJNVASSA-N 448.479 2.492 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539134527 WBCKGFBAJCUDCY-UHFFFAOYSA-N 435.557 2.164 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539218753 CLSMOLMOLKMKOF-MOPGFXCFSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(F)(F)F)n1 1539237292 BZRYRBIKMGHQHU-HXUWFJFHSA-N 433.434 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCOC[C@H]1OC 1539332556 VLCVJDVBAIGSJM-TZIWHRDSSA-N 432.528 2.031 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1540072309 KNAXOSLXCDNLCY-RBUKOAKNSA-N 448.593 2.068 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)NC)CC1 1540899369 LTJLESLVACDPSK-UHFFFAOYSA-N 445.589 2.071 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCO[C@H](C)C2)CCOC1 1541104681 ASHPNQMWFFRHPP-VIZSFHNOSA-N 448.612 2.415 30 10 IEEE CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1541132629 HGPUZAHPJIVOCU-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)ncc1C#N 1544958585 AGQQFYDJNUJHAA-QGZVFWFLSA-N 441.532 2.193 30 10 IEEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1555488235 PTYFNHAMKHTDMO-LJQANCHMSA-N 429.546 2.257 30 10 IEEE C=C[C@H](C)ONC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1557340553 JQFWFMZECUCLCE-HNNXBMFYSA-N 447.513 2.471 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NC3(c4ccc(C#N)cc4)CCC3)C2)cc1 1564719971 RPTUHYIEQVIGSF-UHFFFAOYSA-N 440.525 2.318 30 10 IEEE CCCCCN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)Cc1ccccc1 1565027348 JAIJLPYPMMEVBB-RBBKRZOGSA-N 432.590 2.259 30 10 IEEE CC(C)(C)N1C[C@@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 1565103942 PESQUJKFIGRWPE-MRXNPFEDSA-N 437.548 2.205 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3cc(Br)ccc3Cl)C2)c(=O)nc1O 1565361049 GIOGBEZPLFSCJO-UHFFFAOYSA-N 438.669 2.003 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 1570833953 PEMRNMOWOAMERY-SFHVURJKSA-N 447.451 2.471 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1)N1CCOCC1 1588697502 STNJCHSUSWASQZ-FGZHOGPDSA-N 439.560 2.289 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1593735460 HMEIZMOULXZUJJ-HXUWFJFHSA-N 447.540 2.273 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1594812197 CYTHIDVWACGTLS-QFBILLFUSA-N 427.505 2.050 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1595529762 GRPTXUUWJITJFS-UHFFFAOYSA-N 447.543 2.236 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1596782210 GVISMPXCHIJMSE-LSDHHAIUSA-N 443.533 2.187 30 10 IEEE Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)n1 1612225389 BHJBZOZLBMLRMY-DYESRHJHSA-N 428.562 2.256 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1613437031 KXWICBORKISESQ-QFBILLFUSA-N 441.605 2.412 30 10 IEEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)o1 1613861928 HWCVSFZZIBSTSW-LJQANCHMSA-N 449.515 2.065 30 10 IEEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1618820974 VUEFNGSJUGUZND-GOSISDBHSA-N 443.939 2.117 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1620324829 GNZLNTDYHZORTI-JXPGLKHUSA-N 444.536 2.050 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](O)COc3ccc(F)cc3)C2)C1 1622497983 VSAOZQGRLZADRJ-CCECRFFPSA-N 447.507 2.468 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 1630184956 SKBRAILGSBZNNP-FQEVSTJZSA-N 441.557 2.493 30 10 IEEE CC(C)OCCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1630666457 UXBHCDAVUGSPJZ-UHFFFAOYSA-N 435.366 2.326 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)c2cccc(Br)c2)c1 1633859947 COFGVAGEJXXJTN-INIZCTEOSA-N 441.278 2.349 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 1634324169 LDFOBXKWDDGWNA-RDPSFJRHSA-N 429.561 2.389 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](N3CCOCC3)C2)C1 1636960641 QDCCLRWAYRSLRU-GOSISDBHSA-N 433.350 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC(CN2CCOCC2)C1 1637544116 TYINMWRXUNYDAP-OAQYLSRUSA-N 440.544 2.183 30 10 IEEE C=CCCCN(CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1640109270 CHTJTJZFGXHFCC-UHFFFAOYSA-N 435.590 2.423 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1640863770 WOZSTZXLUNSWSO-LBPRGKRZSA-N 449.982 2.316 30 10 IEEE CC#CC[C@H](CO)NC(=O)Cc1ccc(I)c(Br)c1 1644465755 KONLWEVNTSMJLN-LLVKDONJSA-N 436.087 2.487 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1645088556 XIJAMMQNIGFBQN-YZZKKUAISA-N 441.532 2.382 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(=O)NC[C@H]2c2ccccc2)C1 1646242803 GPSVEYWFBYFTJF-IBGZPJMESA-N 439.313 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1649538214 PDGHNRYEQDULBQ-XXBNENTESA-N 433.597 2.012 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cscc4C#N)C3)[C@@H]2C1 1650818662 FFJJEEYSRRHGGH-BMFZPTHFSA-N 432.502 2.274 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1650833793 INHAEOBPSASLNE-SXWKCWPCSA-N 428.533 2.154 30 10 IEEE CC(C)(C)n1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(C#N)cc3)cnc21 1652156620 DQWXFFFDTKVIGT-UHFFFAOYSA-N 443.305 2.299 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)C2)nc1 1652331891 KQFQTYFOEOBICZ-AWEZNQCLSA-N 433.299 2.488 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(C)CCN(C)CC2)n(Cc2ccc(F)cc2)c1C 1655692928 VPCNLLORPVJUIR-UHFFFAOYSA-N 440.567 2.282 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CCO2)cc1 1680526245 DNHCMZHLEMKSPU-UNMCSNQZSA-N 434.496 2.321 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1680778553 GXGCSJLCADXLQM-FDDCHVKYSA-N 426.517 2.422 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)Cc2ccccc21 1681225950 ACEWESHESTUCME-NXHRZFHOSA-N 428.489 2.227 30 10 IEEE CCOC(=O)C1=CC[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1682717118 VCQYTPAGBZBKCJ-INIZCTEOSA-N 440.479 2.349 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCC#C[C@H]2CCCCO2)CC1 1682725760 PRZIJJWVBMPGFT-WIYYLYMNSA-N 447.601 2.487 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1689937260 UICZMDOQQAWOCM-UHFFFAOYSA-N 428.581 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)CN1CCOCC1 1690005253 XVMPMPKLSQJCBF-LJQANCHMSA-N 437.544 2.003 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN(C)CC(F)(F)F 1690019365 GPUDJUCPRONNRP-GOSISDBHSA-N 433.434 2.358 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N1CCOCC1 1690064012 XCXIHUPKJITYSE-MRXNPFEDSA-N 427.574 2.450 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 1690308080 ACIHLULHBPBDEY-SFHVURJKSA-N 435.532 2.425 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc(OC)cc2)CC1 1690364752 WXXMOARBDRWXPP-INIZCTEOSA-N 435.550 2.132 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690367149 DDLFGUXSKBBHKA-INIZCTEOSA-N 446.533 2.291 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690672079 HAQWMGDBOIQPFN-UHFFFAOYSA-N 441.580 2.289 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690723479 STDLXOGLLBTXRP-QGZVFWFLSA-N 435.594 2.032 30 10 IEEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1694752961 AQBHQWNMBKJKGJ-HKUYNNGSSA-N 429.546 2.115 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1696383681 CNTDZVRVYVHIMY-CVDCTZTESA-N 441.532 2.397 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)C1 1697044978 HWNFONMTIIPCBP-UYAOXDASSA-N 439.516 2.259 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1705612371 FUCYAVOJTDDNQD-MJGOQNOKSA-N 427.574 2.091 30 10 IEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 1705730880 PCHFEZDWZQFIOB-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705805127 ZRPXUPBDYHAOGD-KRWDZBQOSA-N 433.582 2.199 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1cccc(O)c1 1705909222 QKBQLUNGKUSATQ-KNBMTAEXSA-N 429.521 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705935026 DVDBHLDUXXLMCS-UHFFFAOYSA-N 446.499 2.313 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(F)F 1705936297 NRNRMEQOLJQLEK-INIZCTEOSA-N 442.488 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](COC)C1 1705937146 KDUGFNCZKVLCKH-MRXNPFEDSA-N 439.607 2.097 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1 1711880971 ZVQXPPLFXHYUIS-WIYYLYMNSA-N 431.468 2.113 30 10 IEEE COC[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712141092 IZHOWCVUBDITSP-PKOBYXMFSA-N 425.537 2.048 30 10 IEEE N#Cc1ccc(CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCO)C2CC2)cc1 1712881259 OSEALJBEBHLAMG-LJQANCHMSA-N 443.573 2.383 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CC#CC 1722332512 MFCONBDATVHVEX-IBGZPJMESA-N 425.533 2.463 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722334993 KCHWTOYDIKDHOR-GOSISDBHSA-N 433.603 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(COC)CCC1 1722377210 SQKKCIVEVFYCTA-UHFFFAOYSA-N 430.516 2.200 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722378014 OGKLCGVRRYDBEC-JOCHJYFZSA-N 428.540 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCn2ccnc2C)CC1 1722446131 OBJDHVJYILEWAK-UHFFFAOYSA-N 446.559 2.210 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722463367 ZNVHHABAEVNFKS-SFHVURJKSA-N 445.614 2.124 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1722518029 SNEBYVCUEHZYDY-HNNXBMFYSA-N 431.628 2.155 30 10 IEEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1722651805 SUKJLESRIADPNA-VXPUYCOJSA-N 439.545 2.315 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC(=O)NC(C)(C)C 1722689696 XDVVXTJNDXFYDU-SFHVURJKSA-N 426.565 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722696123 BOIRISKURGXJMP-UHFFFAOYSA-N 440.523 2.225 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CC)C1 1722709523 RSMFEVWFYFWUSL-ROUUACIJSA-N 425.537 2.191 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCCC2=O)CCOC1 1722865164 YZAFTZSWBWTZGU-XMSQKQJNSA-N 432.569 2.317 30 10 IEEE Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1724101933 AAVUNRHKUNNRDL-INIZCTEOSA-N 437.529 2.048 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCn2ccnc2C1 1740643357 GTLYMSHNMNUWPB-IBGZPJMESA-N 430.512 2.398 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 1740688463 QJPNQWPBOTXKHX-ROUUACIJSA-N 433.553 2.473 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1740693558 CLFUTVCSMSYQCU-SFHVURJKSA-N 439.564 2.351 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740817408 DMOUQEKOKJJXHW-BBWFWOEESA-N 425.961 2.496 30 10 IEEE C=CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740882008 XELBMJVZIHCSIB-XLIONFOSSA-N 426.583 2.298 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)COCCO1 1740929957 LCNZOUFXTDHCCU-OAQYLSRUSA-N 446.577 2.222 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1741137445 IPHDEOYZEGEJOU-ZWKOTPCHSA-N 442.589 2.336 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(N(C)C)CCC2)CC1 1748999025 GBAOPXUBYBMWQF-UHFFFAOYSA-N 426.540 2.236 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749606101 IQBUQHJUESDUHW-QGZVFWFLSA-N 444.511 2.317 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCNC(=O)c1cccc(C)c1 1750113357 NLFZUZVEDXNYHF-IHPCNDPISA-N 440.548 2.479 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCCC1=O 1750646475 YMXUPOMJBOPTFM-UHFFFAOYSA-N 436.564 2.397 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1751090472 DYEZWXSNFCZKCG-PBNKOMEISA-N 441.565 2.206 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1760117277 NPFDIJMHSBOVKP-FXAWDEMLSA-N 425.533 2.359 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760185201 RWANBYBDRJVTDV-GCJKJVERSA-N 440.525 2.073 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1760187909 LVKRCRFJLCMDNK-FQEVSTJZSA-N 427.574 2.091 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1760192476 JIIHHDGWWLQTOB-ZWKOTPCHSA-N 438.594 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1Br 1760192999 QRLIJDHQWWCBEC-UHFFFAOYSA-N 426.318 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCC 1760196689 LBLGDJMIXVWTRX-FQEVSTJZSA-N 439.585 2.296 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@@H](C)C2)n1 1760252224 LGGVRSSEXIOXPU-GGPKGHCWSA-N 439.564 2.148 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCN(C(=O)OC)CC2)CC1 1760255105 CAZKZGNIJYUAPC-UHFFFAOYSA-N 426.521 2.080 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1760258220 REPSNHQXOQRELH-UHFFFAOYSA-N 447.587 2.407 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760351119 CMZQILBLXNXGNE-ROUUACIJSA-N 425.537 2.191 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760569658 VYPDVKNXEFHVEX-IBGZPJMESA-N 442.593 2.370 30 10 IEEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1768075097 XNTDEPZKOBZXRM-UXHICEINSA-N 438.532 2.495 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)C1 1770726626 HHCRMQRKFOBVME-FQEVSTJZSA-N 432.887 2.323 30 10 IEEE COCc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1770849615 BQMHOKILMXMIGD-NZQKXSOJSA-N 441.532 2.242 30 10 IEEE CCOc1ccc(-n2nnc(C(=O)N3CCN(CCC#N)CC3)c2-c2cccnc2)cc1 1848535598 OVHOYQBMJIMHMK-UHFFFAOYSA-N 431.500 2.399 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)c1C#N 1853043248 QINAEYNGLGWXTL-UHFFFAOYSA-N 439.369 2.241 30 10 IEEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1857034106 LPRVIVJSZBWDCC-IRXDYDNUSA-N 426.542 2.387 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3nc(C)sc3c2)C1)[C@H]1CCN(C)C1=O 1857277066 OBNXSNPZMKNTDN-YJBOKZPZSA-N 426.542 2.312 30 10 IEEE CCOC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3cccc(C#N)c3)c3ccccn23)CC1 1858242108 PXEBYVNZMNCRAE-UHFFFAOYSA-N 446.467 2.373 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1 1858335515 OEKLVWOCUPXSNU-LBPRGKRZSA-N 431.948 2.015 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)ccc1O 1862745398 IEUFJJRLJIJLJO-GOSISDBHSA-N 428.397 2.270 30 10 IEEE CCOC(=O)CN(C)C(=O)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(C)C 1868782289 GJVFPYIQUZCQAB-YLJYHZDGSA-N 448.589 2.187 30 10 IEEE CCCCCCCOc1cn(CCN2C(=O)CSC2=O)c(CN2CC(O)C2)cc1=O 1870416510 AFKFAYTVPQTLGS-UHFFFAOYSA-N 437.562 2.069 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCCOC 1870537858 SCHCPQIYFXAKRP-UHFFFAOYSA-N 429.517 2.347 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(N)=O)cn1C[C@@H](O)c1ccc(Cl)cc1 1870668286 UTPGENGXXNZWCN-HXUWFJFHSA-N 431.920 2.273 30 10 IEEE C=CCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873594198 OHKMBFIJYPKXOX-GOSISDBHSA-N 447.543 2.248 30 10 IEEE Cn1cccc1/C=N/n1c(SCCCO)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 1874209288 ZMBLLBNWLTYLLR-UEIZDATPSA-N 438.557 2.489 30 10 IEEE CN1CCN(C(=O)c2ccc(Br)cc2I)[C@H](C#N)C1 1963651646 NOAARGYUIMMRPM-SNVBAGLBSA-N 434.075 2.333 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2010124458 UBPDGOUHFMBMET-ARFHVFGLSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CC1 2063391909 VICFVJDUAAPZIV-MUJYYYPQSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2064277332 RODULOSGUILBNU-UHFFFAOYSA-N 432.326 2.343 30 10 IEEE C#CCN1CC[C@H](NC(=O)c2ccc(Br)cc2I)C1 2142040005 QLUFULJAGDEZDH-NSHDSACASA-N 433.087 2.491 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2224073999 OYXRWNLPORJWDC-IRXDYDNUSA-N 431.342 2.205 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390053 OFFBKEQJACZGCN-LBPRGKRZSA-N 425.360 2.333 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243416622 HUQBHHJOJINXJA-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2255620883 FNHHMKSCBRMRQR-LRTDBIEQSA-N 449.382 2.490 30 10 IEEE CCN(CCN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255815755 SNHRMSYKWJFQEM-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE Cc1ccnc(C(=O)NCC=CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828245 CRLVLZOMRWEQFO-UHFFFAOYSA-N 431.342 2.500 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830491 HDEAYOBKDOKSMV-HIFRSBDPSA-N 434.346 2.132 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256922261 DYCVDHPMPWLTON-INIZCTEOSA-N 429.278 2.369 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999479 YCZHOSRGBFIORP-IBGZPJMESA-N 439.365 2.441 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@H]21 2267093160 RAZCAVUJHKWVNC-VNQPRFMTSA-N 446.357 2.227 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1 2267229363 XGDMZUADMHUWCU-INIZCTEOSA-N 449.357 2.478 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1 2267229719 CQRICMAQGRRSNJ-QZTJIDSGSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267269248 CTWULBRUCFCAAC-DLBZAZTESA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267270116 JLKHZCLWEHAPNG-LSDHHAIUSA-N 449.332 2.458 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267270229 KDPBNWFBJYVPQW-WFASDCNBSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267274135 WCNRMTWBEXYKLW-QAPCUYQASA-N 443.353 2.462 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2267496744 CYZLBFIUODZZNW-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 2267524444 QCEKUVGMZXRHRP-XLIONFOSSA-N 438.381 2.453 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CC1 2267535485 XFZSYCGXFPIEBD-HXUWFJFHSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267613453 CFPSRBPLNOEMHI-GDBMZVCRSA-N 446.357 2.199 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268637764 FPHCLLFYPFOVDQ-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCOC1 2268716863 HQCDQYQDECBOLT-RHSMWYFYSA-N 447.341 2.249 30 10 IEEE Cc1c(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2271951052 DHNZXIRHNIXEHZ-CABCVRRESA-N 448.373 2.061 30 10 IEEE CC1([C@H]2CCCCN2S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)OCCO1 2282855780 JGBSDTUITOXMNY-CQSZACIVSA-N 443.396 2.354 30 10 IEEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H]2C2OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282866010 BXIXLWXAKGWWMR-CQSZACIVSA-N 443.396 2.190 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccc(F)cc2)cc1 2295993298 GXAHLTACYSKRLY-NRFANRHFSA-N 439.487 2.161 30 10 IEEE CCOc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296592309 LBYQSILYMMGUAU-FQEVSTJZSA-N 426.469 2.432 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2312973307 SCXGYWSFWPDDEW-AEGPPILISA-N 449.382 2.314 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)c1OC 20906301 LSYJVOKCNBCUPE-LSHDLFTRSA-N 442.501 2.382 30 10 IEEE N/C(=N/O)[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 236326366 DHBKMMLNKNZRGU-JTQLQIEISA-N 438.063 2.405 30 10 IEEE COc1ccc2ccccc2c1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252628630 SURMMVPRNKBVLF-UHFFFAOYSA-N 449.515 2.153 30 10 IEEE CCN(CC)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254405912 ZJROHENWEBCPKV-FGTMMUONSA-N 437.587 2.313 30 10 IEEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)Nc1ccccc1OC 438732521 DWHGQWLAWHUYNC-UHFFFAOYSA-N 426.498 2.476 30 10 IEEE C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1nc(C(=O)OCC)cs1 439807997 OJKWBIZMSADBJZ-UHFFFAOYSA-N 427.504 2.304 30 10 IEEE CCO[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 445008030 LCBYHKGXQNDLJR-HXUWFJFHSA-N 442.541 2.352 30 10 IEEE COC[C@@](C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 464497011 VTOOPISYLKFKSI-QGZVFWFLSA-N 433.452 2.043 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)cc2C1=O 464520836 GOYNBHSQZXTFAJ-QFUCXCTJSA-N 429.476 2.355 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 478745238 WWBBPVTYCGXKAE-SFHVURJKSA-N 440.565 2.444 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 504611661 HZJPHYKPMZUOBA-UKRRQHHQSA-N 436.925 2.237 30 10 IEEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 508863072 HIGFMGIMIQMKEQ-UHFFFAOYSA-N 443.573 2.373 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(Cn2cccnc2=O)c1 515907101 BXAIQBQJAMHEJE-UHFFFAOYSA-N 427.468 2.394 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N(C[C@H](C)C#N)C3CC3)CC2=O)cc1 533142015 YWZDCUALEXYKKM-SJORKVTESA-N 446.573 2.221 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1 533222863 BTIXXOXAZPDGRO-YOOZRZFBSA-N 439.604 2.240 30 10 IEEE CCc1cnccc1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 539143809 UHRRQCWIQVWDGW-MRXNPFEDSA-N 427.530 2.293 30 10 IEEE Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(F)(F)F 543662968 NVRMKGSARYTDIQ-MEDUHNTESA-N 436.442 2.222 30 10 IEEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 544888461 LDWVCDFPNUCCNL-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccc([C@]5(C)NC(=O)NC5=O)cc4)no3)cc2C1=O 545535799 VULVIATXZWMCIG-QHCPKHFHSA-N 443.419 2.240 30 10 IEEE CCOC(=O)c1csc(CCNS(=O)(=O)c2cccc(Br)c2C#N)n1 557847228 ADJDZWYSTMRTCC-UHFFFAOYSA-N 444.332 2.475 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)CC2)o1 563489050 QCWDMENITNZNHV-MGPUTAFESA-N 427.480 2.104 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CCN1Cc1ccccc1 567243751 KFXASWZCWUBZKP-YADHBBJMSA-N 447.539 2.086 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C 578177335 MRYMROUNWJMVLU-QFBILLFUSA-N 427.505 2.054 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1OC 586080514 FDNPSXLUUAMSCQ-QGZVFWFLSA-N 429.498 2.159 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 591844704 ZXFAMKTTZSMFPL-UHFFFAOYSA-N 444.488 2.116 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609257055 QLGCCNZVDNPYAP-UHFFFAOYSA-N 432.477 2.029 30 10 IEEE CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 611223842 MPJCXMTUTICRPO-UHFFFAOYSA-N 446.504 2.277 30 10 IEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)C)C[C@H]2C)CC1 619850336 FZUJOQAXAOJOHW-XMSQKQJNSA-N 435.576 2.462 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 679755613 XUMGGHAZJYACKY-QGZVFWFLSA-N 426.513 2.490 30 10 IEEE N#C[C@H]1CNC[C@@H]1c1cc(I)cc(I)c1O 687744330 GEGYLDMCWYLNLH-RCOVLWMOSA-N 440.022 2.428 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)[nH]1 727357556 QPPBYBCNUKXQSH-LTGZKZEYSA-N 425.536 2.112 30 10 IEEE C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 741657943 JKOYUIDSEVWCBG-UHFFFAOYSA-N 438.502 2.423 30 10 IEEE CC(C)[C@@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2ccccn12 742616928 ZBAKXKBQCCQUJZ-AUUYWEPGSA-N 440.529 2.060 30 10 IEEE COc1ccc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C#N 747443539 HRJJWWHZUGKTDN-SFHVURJKSA-N 440.525 2.336 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2ccc(CO)c(F)c2)c1 749194069 SRDHCGAPHIEDTM-LYBHJNIJSA-N 434.493 2.453 30 10 IEEE C=CCOc1ccc(-c2nn(CN3CCN(c4nccn(C)c4=O)CC3)c(=S)o2)cc1 765052484 FXCCKDHDOOKGFB-UHFFFAOYSA-N 440.529 2.311 30 10 IEEE Cn1ncc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1C1CC1 770731307 USAOJNWHJXBTEZ-UHFFFAOYSA-N 429.484 2.005 30 10 IEEE C[C@@H]1C[C@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCO1 776515132 HHIWKMNWGZBGOS-MDZRGWNJSA-N 433.530 2.324 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1F 778447390 QRSBRPVMQVTNBA-UHFFFAOYSA-N 430.505 2.022 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 783136266 JVDNUZBNJNZWJV-QGZVFWFLSA-N 425.445 2.114 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(C(=O)O)cc3Cl)cc2)CC1 783846023 KMQHMHZIIZHNPP-UHFFFAOYSA-N 436.921 2.420 30 10 IEEE C#CCN(C(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC)[C@H]1CCS(=O)(=O)C1 784479502 ZUJFUKMUEGTSIO-SFHVURJKSA-N 425.514 2.351 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 788814046 SFNMMJUAHNVDAG-MDZDMXLPSA-N 434.540 2.443 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccnn3-c3ccccc3)c2=O)cc1F 790361639 YEHNLLPYEKZKCD-UHFFFAOYSA-N 443.463 2.259 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC2)n1 809831035 NKCJBTDZDXTLRX-UHFFFAOYSA-N 425.829 2.165 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)c1cc[nH]n1 858028733 OCRDHWSDPQNYRL-QGZVFWFLSA-N 441.488 2.036 30 10 IEEE C=CCN(CC=C)C(=O)COC(=O)CCN1C(=O)COc2cc(Br)ccc21 915520328 WKUFATPAIIGSMC-UHFFFAOYSA-N 437.290 2.308 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(Oc2ccc(F)cc2)nc1 917345297 ZVRAAMOTVFPKMK-UHFFFAOYSA-N 440.456 2.368 30 10 IEEE Cc1ccc2c(c1)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2=O 924209739 DCLMRCLQJIBBFP-LTIDEOFWSA-N 425.485 2.454 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1N 1083941369 JIYBDPOXPYAWCF-UHFFFAOYSA-N 439.501 2.380 30 10 IEEE Cc1nc(NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)sc1SCC#N 1125107581 ARHJBPBUOFWGRS-LLVKDONJSA-N 425.536 2.083 30 10 IEEE CON(C)S(=O)(=O)c1cc(C(=O)Oc2c(C)nn(CCC#N)c2C)ccc1Cl 1134899480 NVSWCUQITUGSLN-UHFFFAOYSA-N 426.882 2.468 30 10 IEEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1136164715 DTAIGAHFXYMELO-OAHLLOKOSA-N 433.350 2.480 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)OC)cc1 1160041063 YIDUIFQJVOGUSI-UHFFFAOYSA-N 430.482 2.424 30 10 IEEE COCCOc1cccc(CNC(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)c1 1197042061 WTTKCOJLUHYWBP-UHFFFAOYSA-N 426.492 2.161 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)CC1 1203548101 VXVZZGUWDDSVCO-UHFFFAOYSA-N 433.464 2.354 30 10 IEEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 1255135534 WTMAEECIVCORNJ-UHFFFAOYSA-N 435.575 2.454 30 10 IEEE N#Cc1ccc(OC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)c(I)c1 1270731121 VHFYLJAJCBIZTN-RKDXNWHRSA-N 438.143 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286278962 IKGPGKDJYHUDSP-ZJBJCVSYSA-N 444.557 2.145 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286386826 ICCSFBIOTVAJIF-GOSISDBHSA-N 437.525 2.046 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1286397732 UJMZSHDWSWONRF-IBGZPJMESA-N 441.557 2.402 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H]2COCCO2)CC1 1286474639 OHIFHKBUZBBUQO-GOSISDBHSA-N 445.951 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)CC1 1286475507 ATGCONCWIYPWCH-UHFFFAOYSA-N 443.511 2.032 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286495799 FTPIKCOQERDZOW-DLBZAZTESA-N 427.640 2.266 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1286516937 NUSPRHWJKJKTKQ-DBXWQHBBSA-N 436.626 2.001 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286670203 BYDKZQAJXRZMEI-IBGZPJMESA-N 446.596 2.349 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1286708201 NRAYVNBOTWHJKL-LJQANCHMSA-N 443.548 2.076 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1snnc1C 1286766402 PSSHESIRFCRFGZ-UHFFFAOYSA-N 448.574 2.196 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C#N)c1 1286790851 YLJCUWIEHAOVQK-UHFFFAOYSA-N 440.511 2.327 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cscc2C)C1 1286800098 FVOVORNBYIQPBN-ZBFHGGJFSA-N 425.580 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C(C)(C)C)C1 1286810061 NIUQVGUHGBOFKZ-GVDBMIGSSA-N 426.583 2.023 30 10 IEEE COc1ccc(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1300106490 DCBBEKGQHYQORY-FXAWDEMLSA-N 438.532 2.017 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1300302501 AIYHLGAPLKZQFJ-OAHLLOKOSA-N 445.531 2.192 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1300488552 FGAGKPDADYDWMY-SFHVURJKSA-N 444.948 2.191 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1300496053 NIBGKQKWGZHBQB-VQTJNVASSA-N 433.622 2.120 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1300588365 JGPNIGZHLDRBSQ-KRWDZBQOSA-N 443.041 2.260 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1300648987 RPWZJKRGTHEFNG-IEBWSBKVSA-N 425.508 2.476 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[C@@](C)(O)c2ccccc2)CC1 1300703998 YDOYPQTZFCSOFS-RUZDIDTESA-N 430.556 2.317 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@@H]1C 1300741288 RQDNEDIMIROJQJ-HNNXBMFYSA-N 448.618 2.138 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1300765206 BBUCHKJFIOVKRV-IBGZPJMESA-N 438.601 2.373 30 10 IEEE COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1300793453 LIGXLFCGBXKFJR-HNNXBMFYSA-N 447.289 2.345 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1301012327 AVGDSTSYKMCYEU-INIZCTEOSA-N 433.944 2.225 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(CC)c2)C1 1301566373 PNVGJTQRHWXQGT-QGZVFWFLSA-N 441.561 2.316 30 10 IEEE CCOC1CC(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1314240590 QDNQBHQVFVVIBN-HJLOMXBNSA-N 446.596 2.038 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[C@H](O)C2)n1 1359027742 UTBFUWRVABGOKR-QUCCMNQESA-N 437.548 2.307 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359135140 TWZICAXZAAYCBG-WBVHZDCISA-N 432.550 2.161 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359455509 SRFWCRZCUDEXCH-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1360315507 CYMYGPIVEDPUST-IAGOWNOFSA-N 446.577 2.149 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@](C)(O)c2ccco2)CCOC1 1360338655 HZIRWWPMWVBJAU-PWRODBHTSA-N 433.484 2.261 30 10 IEEE Cn1nccc1[C@H](O)C1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1453958908 VKFCWHNWCQWLPR-HXUWFJFHSA-N 430.530 2.083 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 1463932991 BMBOIMHBWVGXCN-OAHLLOKOSA-N 439.534 2.341 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1464046421 DTJNMXQYFNFIBJ-UHFFFAOYSA-N 429.546 2.307 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1469865156 RPICQTYJGLGFNB-JFIBYHEFSA-N 439.438 2.353 30 10 IEEE CON=Cc1ccc(C(=O)N2CCC[C@H](n3nncc3I)C2)cc1 1471494218 IVWSXWZBMLROOT-AWEZNQCLSA-N 439.257 2.340 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(OC)c(Br)c2)C1 1479311924 CPZKCWZJHOJHII-DLBZAZTESA-N 438.366 2.006 30 10 IEEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(C)(C)O)c1 1504341932 BKIVCJPUGKYVPA-MRXNPFEDSA-N 448.531 2.101 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1504601229 VHJLBPSRAYHZED-MRXNPFEDSA-N 426.418 2.486 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1507562815 OCQYHINLAXPPQW-GOSISDBHSA-N 425.533 2.287 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCC(=O)N1CCOCC1 1507706801 OUMHQYRTCVKKKD-UHFFFAOYSA-N 437.500 2.026 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507725191 QSBLAZSEUZBXPN-SFHVURJKSA-N 441.580 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](OCCOC)C1 1507804665 LSCIQMRMQVEYJO-URVUXULASA-N 427.549 2.487 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1507857670 REKNFAVPKANYHA-UHFFFAOYSA-N 436.763 2.279 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1507995606 OMXADYFBAUSJDZ-UHFFFAOYSA-N 449.602 2.392 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCC(F)F)C1 1508115560 BDBBSWWLLQKIAB-ZDUSSCGKSA-N 425.436 2.069 30 10 IEEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1511595043 HYRHLPJRGXPFOR-JXFKEZNVSA-N 448.597 2.004 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCOCC1 1512943682 VTHIWMCQAYHXEK-OAHLLOKOSA-N 426.521 2.258 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CCCC1 1515393012 HJTVPPIVQUVKSC-OAQYLSRUSA-N 429.546 2.135 30 10 IEEE COCC1(Cn2c(C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CCOCC1 1518785128 DTIWYJVHMAWQSW-UHFFFAOYSA-N 428.512 2.367 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CCO1 1521128622 FPRZOLQFUIRCDX-GOEBONIOSA-N 434.422 2.219 30 10 IEEE O=C(CCOCC(F)(F)C(F)(F)F)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1532756238 VEMRRRPJNGMOLL-UWVGGRQHSA-N 426.304 2.460 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216185 OSYOATCZYDUEQX-LJQANCHMSA-N 443.573 2.316 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539231340 RDUUUDAYEPTLFH-QGZVFWFLSA-N 438.500 2.427 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1539446115 QXQQNKALUJFTQR-QGZVFWFLSA-N 432.450 2.052 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1539467726 XUVUGFXYGIQFKJ-HKBQPEDESA-N 441.601 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCSC2)CC1 1539475727 NGSOHQDWJGOYTO-HSZRJFAPSA-N 439.585 2.087 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cscn2)CC1 1540033361 GDOLKGUKCLOCCZ-UHFFFAOYSA-N 426.550 2.107 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1540889171 GKIYWPFZUCQBFN-WBVHZDCISA-N 440.470 2.318 30 10 IEEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1544346074 CYCBUHTWVYUMMS-GOSISDBHSA-N 428.562 2.335 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)cc(OC)c1OC 1544487232 UTCUIXPFEGTKOA-LSDHHAIUSA-N 446.481 2.018 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)C[C@@H]1C 1547710424 MIYKMZRAZWWRTD-IBGZPJMESA-N 425.581 2.315 30 10 IEEE CN(C)CCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552874705 CZZJALOPXUQZBO-UXHICEINSA-N 432.532 2.057 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1nccnc1C 1555743352 LWOFDYNYCKLLQM-ICSRJNTNSA-N 425.537 2.473 30 10 IEEE CC(C)(C)C#CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1557021235 YVAPPAKSVUBLJR-ZWKOTPCHSA-N 432.565 2.430 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCCS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1 1564850955 QAEYQDVKCSODPT-UHFFFAOYSA-N 447.948 2.302 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1O 1570043868 GZRCRDNRSCDGGC-CYBMUJFWSA-N 433.914 2.275 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 1583811270 AVZOPGBMOQALTB-KRWDZBQOSA-N 441.431 2.047 30 10 IEEE Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)CC2 1584693634 IFWUAJRJLJPSEM-XLIONFOSSA-N 436.516 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1587638643 GIJARVXLVBPVFW-MAUKXSAKSA-N 430.530 2.073 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1C1OCCO1 1587921780 JBRVYGPYQMZLTF-HSZRJFAPSA-N 426.517 2.482 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nnnn1CC1CC1 1588083756 JIGXEBWROFWSEM-INIZCTEOSA-N 434.479 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccc(CS(C)(=O)=O)c1 1588238222 MRDSVWNCLLMMNZ-UHFFFAOYSA-N 447.564 2.320 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1594896037 SDFQGUYOLIGATN-IBGZPJMESA-N 436.354 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccccc1Cl 1595529858 JZUMQUXOVYUHFI-UHFFFAOYSA-N 429.912 2.149 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cnccn1 1595658942 OALAUJFXGYGVJC-IBGZPJMESA-N 433.516 2.311 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c1 1596358789 KAPJLSXTJWNLEW-SPJFCROGSA-N 434.562 2.475 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)N2CCOCC2)CCOC1 1610416660 QPMNQLSPOLISES-QHCPKHFHSA-N 446.596 2.169 30 10 IEEE COc1cc(OC)c2ncc(C#N)c(N3CCC(NC(=O)N4CCOCC4)CC3)c2c1 1612509161 ADYYTDQSJBQOFD-UHFFFAOYSA-N 425.489 2.134 30 10 IEEE C[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612766162 AUGBHRROAMJWAM-BFQBXFRASA-N 435.532 2.417 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1 1613011962 YOTDATBIEDYOFC-QUCCMNQESA-N 441.532 2.397 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(C)s2)n1CCN/C(O)=C1/N=CC=CC1=O 1616683972 LXXYJGJBJNRIFS-HNENSFHCSA-N 430.534 2.347 30 10 IEEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2c(C#N)c(C)nn2C)cc1 1617079313 PGTSMSRKCSFYAL-UHFFFAOYSA-N 429.502 2.477 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1618320261 VZTFMIBKXMMMTL-CZIZESTLSA-N 439.520 2.118 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCOC(C)(C)C)C1=O 1618462359 KUTDKKIHVHHFTE-QHCPKHFHSA-N 440.548 2.458 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1627790911 UKPJMGVTLDOSMG-IBGZPJMESA-N 426.542 2.468 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1 1631164531 ZLPDXJYDDDODHC-FCHUYYIVSA-N 441.553 2.477 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)C2)c(F)c1 1641703809 VONILJNDXOPRBQ-ATZDWAIDSA-N 434.537 2.033 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1641797236 TWUBBCYZXWZSMB-GQANPOSXSA-N 431.374 2.359 30 10 IEEE C=CCn1c(SCC(=O)N2CC[C@H](c3nn[nH]n3)C2)nnc1-c1ccc(Cl)cc1 1643388031 YKZHQTMVVVHQRP-ZDUSSCGKSA-N 430.925 2.406 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)n1 1649425383 LKMCIGXUMIUXFZ-NRFANRHFSA-N 445.951 2.233 30 10 IEEE Cc1ccc(SCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c(C#N)c1 1653045127 WHQJDNBMYGPTEZ-UHFFFAOYSA-N 445.566 2.296 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@@]2(CO)COCCN2C)cc1OCC 1658011193 SZPWGRRIHIIQFV-LJQANCHMSA-N 429.355 2.195 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 1662633955 CCHBJPREFNMNIH-CYBMUJFWSA-N 431.308 2.052 30 10 IEEE C#CC[C@@H](NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1)C(=O)OC 1663796969 QSTWUXPLXFYJHQ-BHDDXSALSA-N 444.528 2.278 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4c(O)nccc34)CC2)cc1 1671408311 FIHVAPPUHJIRDH-UHFFFAOYSA-N 437.481 2.350 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)nn1 1673802644 IROSZQSCJCUMPC-RBUKOAKNSA-N 448.568 2.458 30 10 IEEE CS(=O)(=O)Nc1ccccc1CNC(=O)NC1CCN(c2ccccc2C#N)CC1 1676162038 HTRSVSVLUMJESB-UHFFFAOYSA-N 427.530 2.398 30 10 IEEE C#CCN(C(=O)N[C@H](C)c1ccc(OC)cc1Br)[C@@H]1CCS(=O)(=O)C1 1685873238 BKBSZICPPAWYKT-CHWSQXEVSA-N 429.336 2.351 30 10 IEEE CCOC(=O)c1csc(N2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)n1 1686390456 MMDCAYJETJZQCH-UHFFFAOYSA-N 429.502 2.232 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1689886923 KLPGDTDFNJTKHW-UHFFFAOYSA-N 428.493 2.088 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1689980023 KJFQZRQYOYEMLC-FUHWJXTLSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCCC1 1690018213 XTJDEKJTMHYZEK-UHFFFAOYSA-N 432.576 2.011 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1csc(COC)n1 1690099002 ZEXBHYXTYMJIDY-UHFFFAOYSA-N 441.513 2.411 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(F)cccc1SC 1690106521 YZQVNJYMEIDEAP-UHFFFAOYSA-N 431.537 2.396 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccc(C)nc2)n1 1690109518 UUWLSOCBJZZOLJ-FQEVSTJZSA-N 435.532 2.016 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690168059 VFHOZOQNSMNYFY-FQEVSTJZSA-N 434.562 2.466 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690673794 DYYZMSGNTJXNTF-QFIPXVFZSA-N 441.532 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(CC)C1 1690732333 ZZNWTJCMXZORAI-ZWOKBUDYSA-N 426.583 2.229 30 10 IEEE CC(C)Oc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1690993036 DGJBOIVVRZDNTR-CVEARBPZSA-N 434.566 2.320 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690999972 UCSQCRGENSWZDH-NZSAHSFTSA-N 443.577 2.140 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1692979145 FUOHFMMBWYUGDB-OALUTQOASA-N 438.532 2.117 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694751436 HAVDAMLPYAKCMB-PNBGARPFSA-N 440.479 2.084 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCCOCC(F)F)cc1 1698487715 XSFAZRKQNFONNO-UHFFFAOYSA-N 430.459 2.300 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCCN2CCOCC2)CCO1 1698493737 XBMOCCFZOIIHOW-JOCHJYFZSA-N 438.576 2.295 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1705486244 ZQSBWCQFKKPQJC-HNNXBMFYSA-N 432.546 2.388 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705556592 SUAKAFGBOFFQKJ-CQSZACIVSA-N 440.495 2.223 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1705558711 GILMFJMAOMWVKT-XFQAVAEZSA-N 426.517 2.452 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)cc2)n1 1705631870 RJIMQUAHGQKWNL-LJQANCHMSA-N 438.507 2.452 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1705632457 QVJVASOJKIANEV-JOCHJYFZSA-N 436.604 2.232 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC(C)C)CC1 1705650439 QVVQTKZVJOWBGI-UHFFFAOYSA-N 444.605 2.415 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1705873176 ZNUQRVQZMTVEBJ-UHFFFAOYSA-N 440.367 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1706160445 YGVSZDDBOQKSPG-WIEQDCTASA-N 447.515 2.071 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)cc1 1708908515 HKKWFLHYUDJOHG-WZONZLPQSA-N 440.523 2.444 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)C1CC1 1710568358 BGNXNEGMLJYMGX-HKUYNNGSSA-N 440.548 2.467 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722317938 WAIHZMUBZJWGFC-IBGZPJMESA-N 438.507 2.284 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722364821 BBEUYQWWBOFXQS-MOPGFXCFSA-N 445.589 2.287 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1722367476 LWLGTYGMVLOXKS-MSOLQXFVSA-N 445.614 2.418 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1722486668 ANTQWWNQQYBWNY-UHFFFAOYSA-N 425.356 2.300 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722544246 QFZUHKLYRXSGRW-UHFFFAOYSA-N 433.900 2.404 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722558040 BKBCCJXRWVCIKA-ARFHVFGLSA-N 446.017 2.467 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722602675 BCSFBYCXYZNGES-SFHVURJKSA-N 437.610 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCS(C)(=O)=O 1722694216 ONPWOVSHXHTODZ-UHFFFAOYSA-N 433.578 2.026 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703620 DLBACDULSXLFGD-HRCADAONSA-N 431.541 2.089 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCCCC2)CCOC1 1722864242 PVXXMQVLVLJSJO-XMSQKQJNSA-N 432.569 2.317 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N(C)C)CCOCC2)CCOC1 1722864546 TUQLVDNVGVWPIX-XMSQKQJNSA-N 434.585 2.025 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)COC)CC1 1740590923 JWYFHKARFZTHRX-UHFFFAOYSA-N 431.487 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)c2ccco2)CC1 1740698810 WQKXKPVIIXBESA-QFIPXVFZSA-N 436.472 2.109 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740877833 LBKABPDVGOVMMF-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1740959066 JXUPJXGDDXZKNN-UHFFFAOYSA-N 442.951 2.464 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(C)COCCO2)C1 1740983488 JUSKWXVDJHYHQP-NFBKMPQASA-N 428.533 2.486 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1740985977 WIZFUEOSYFXVEW-AVRDEDQJSA-N 429.496 2.256 30 10 IEEE CN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747763634 JCHIXQXJPDBOOL-STGLLQLASA-N 428.518 2.006 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCc2ccccn2)C1 1748048206 BOUGFFIAHLVCPY-DEOSSOPVSA-N 431.544 2.347 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1748202530 YDPSNZVLVMHYIP-UHFFFAOYSA-N 436.516 2.038 30 10 IEEE CO[C@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(F)cc1 1748419426 AYCPLTJFESWWGM-HXUWFJFHSA-N 438.511 2.354 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ncnn1C(C)(C)C 1748857734 DDPOUAKYRDYDGB-IBGZPJMESA-N 431.500 2.258 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1749452130 OUBMXCZFXCMHNE-UHFFFAOYSA-N 425.537 2.317 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749452169 QFQXZKXSEJQDGV-TZIWHRDSSA-N 426.565 2.480 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1749458047 VQNZUZAZLZMXEX-GOSISDBHSA-N 446.573 2.344 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 1749669118 BYZKJZMHBUHSKD-ZDUSSCGKSA-N 438.326 2.466 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cncn2)C1 1749695359 AOHBFCZCMGYFCU-KRWDZBQOSA-N 425.493 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)C1 1749735779 WZAMSFPEDGUOCT-SFHVURJKSA-N 448.545 2.007 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1750030859 TXUFPFZAQRQORM-KRWDZBQOSA-N 438.532 2.117 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCSC2)CCOC1 1751014492 VXIDOKKKUXPUKL-RTWAWAEBSA-N 435.594 2.317 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCCCCC1 1751209548 ADTLFWVGRJTZNM-INIZCTEOSA-N 438.598 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOC1=O 1760101399 OSEWXUQXAPLKEE-CYBMUJFWSA-N 435.326 2.346 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1760186661 PWHXPNONDGTZES-LBPRGKRZSA-N 439.326 2.091 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1760273409 SMNUWJACUVBICO-QFIPXVFZSA-N 443.548 2.118 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(C)=O)CC1 1760315490 FWITVQPUBNSDQO-IHPCNDPISA-N 435.569 2.042 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760565300 TWWMZBDUWZFKLL-HNNXBMFYSA-N 446.537 2.095 30 10 IEEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1764071593 GEADSCZDSVCBKK-FQEVSTJZSA-N 436.564 2.105 30 10 IEEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)C(C)C 1766897730 AHDHCMXLQMYWDK-HXUWFJFHSA-N 444.605 2.419 30 10 IEEE CCN1CCN(CCCn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C#N)C2)CC1 1767156356 COFPBFJXKHEVHE-SFHVURJKSA-N 443.983 2.355 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1F 1768611243 GRKZELZRYRAMRK-QGZVFWFLSA-N 447.536 2.311 30 10 IEEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)cc1 1770243449 HBEKKAZITKBVBX-QGZVFWFLSA-N 426.521 2.335 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@H]1OC 1770305004 YPBNEHLVNBXNAK-KURKYZTESA-N 449.458 2.003 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1csc(C)n1 1771219737 RIQPVWPLYLPDAU-HNAYVOBHSA-N 445.593 2.186 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)OCCn2ccccc2=O)[C@@H]1c1ccc(C#N)cc1 1849278864 GLAGSIBXVWPEMM-LEWJYISDSA-N 425.510 2.357 30 10 IEEE COCc1c(C(=O)NCc2cc(C#N)c(F)cc2F)nnn1-c1ccc2c(c1)OCO2 1850399677 CXDQRCVHZNHZKO-UHFFFAOYSA-N 427.367 2.222 30 10 IEEE CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 1850496161 CRAFGKSPJQKPNF-SFHVURJKSA-N 439.903 2.459 30 10 IEEE C=CCOC(=O)[C@@H](NC(=O)[C@H]1CCN(C)C1)c1ccccc1I 1852714393 KXRCAMGJATTWJJ-WFASDCNBSA-N 428.270 2.129 30 10 IEEE Cn1ccnc(N2CCC[C@@H](N(Cc3ccc(F)nc3)C(=O)c3cccc(C#N)c3)C2)c1=O 1853537152 LHKAKKOYYAGCLR-HXUWFJFHSA-N 446.486 2.497 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)N(CCO)[C@@H](C#N)c3ccc(F)cc3)ccc21 1857960203 GEQWWDOINPOKQA-NRFANRHFSA-N 431.489 2.373 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(OC)c1 1862630200 OQZFVXAUSWWGSZ-IBGZPJMESA-N 427.409 2.354 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1C(=O)O 1862738727 IFDGXIVDAWKDIK-DIFFPNOSSA-N 426.381 2.252 30 10 IEEE N#Cc1ccccc1NC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1868129439 RBOJLIBJAKFCQN-UHFFFAOYSA-N 428.404 2.316 30 10 IEEE C#CCOc1cn(C[C@@H](C)O)c(CNc2ccc(I)cc2)cc1=O 1871008270 OSIMPNNHLINYNJ-CYBMUJFWSA-N 438.265 2.458 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)nc(Nc2ccc(OC)cc2)[nH]1 1871561236 CIKSAMMPTKEHFL-UHFFFAOYSA-N 439.564 2.358 30 10 IEEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873592987 AFSTWPDCMFKOAF-UHFFFAOYSA-N 427.597 2.219 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874340132 CIPWYALKNDDQQU-BTZNOAQDSA-N 431.518 2.057 30 10 IEEE COc1ccccc1OCC#CCNC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3 1889450410 ZDZJCVQGNVWSGE-MRXNPFEDSA-N 439.537 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](CCS)C(=O)O)CCN(Cc2ccccc2)C1 1984835831 NAJKUFCXTCEKQQ-HRAATJIYSA-N 437.562 2.045 30 10 IEEE CO[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CN(C(=O)OC(C)(C)C)C1 2010520204 VSDQOCRPBVZEOH-VQTJNVASSA-N 428.533 2.105 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)C1 2020888862 PKEAZXBAUWEVLN-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2067382626 GWGPAKQFZMSNQS-ROUUACIJSA-N 432.370 2.446 30 10 IEEE CN(C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523063 AXAZGRPMIYXWQJ-MSOLQXFVSA-N 446.353 2.488 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C#N)cc1Br 2141247799 KOEUXROAJVHIHO-CYBMUJFWSA-N 425.283 2.418 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)C1 2247556393 NSJQBPHHUNGTTG-PNBPBRNGSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCO1 2254796678 SMZHFOYOZSPHBK-CQSZACIVSA-N 437.321 2.250 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2255640088 JDEGARNGMWWXDB-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE CC1(C)OB(c2cc(C(=O)N(CCCN)Cc3ccccc3)c(O)cc2O)OC1(C)C 2255979899 RNLPRVVTJMJGAD-UHFFFAOYSA-N 426.322 2.388 30 10 IEEE COC(=O)[C@@H](CC(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256598260 NXEFQBVMVOIUSL-HUUCEWRRSA-N 438.330 2.279 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2266992007 NTYBCHNTYYTHFR-RISCZKNCSA-N 444.259 2.416 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267092826 YMJWXVVHLCFSPQ-CABCVRRESA-N 448.373 2.332 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267093058 ZTXBKHHEEYLQTO-CABCVRRESA-N 448.373 2.474 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1CNC(=O)OC(C)(C)C 2267142312 SABYHJOFQBMTNQ-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267145914 JSKJSTCCFZAGCM-HOTGVXAUSA-N 446.357 2.323 30 10 IEEE Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267159935 MSBYEBZAPFTANO-LPHOPBHVSA-N 438.381 2.421 30 10 IEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265181 BLLWAECJZOXRGH-JOCHJYFZSA-N 448.373 2.445 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2267529951 RUZSZYHKDXOADR-VQIMIIECSA-N 438.381 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267579925 ABJZALZVBRUNOB-MRXNPFEDSA-N 446.353 2.352 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2268605779 IWXHNHDNHRHJQB-INIZCTEOSA-N 447.341 2.001 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268630382 JWODRNSUQDEBQO-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268662616 BTCRYSWUAXCXRB-UHFFFAOYSA-N 446.353 2.416 30 10 IEEE COc1cc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCO)cc(Br)c1O 2296550399 ONTJHRYHQTWMMD-AWEZNQCLSA-N 438.230 2.170 30 10 IEEE COCCn1cc(C#C[C@@H](N)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cn1 2302006839 AXORMSAHCOKGTB-NHCUHLMSSA-N 428.533 2.318 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(COCc2ccccc2)C1 2315539056 RCYUYUCPXXTNBU-UHFFFAOYSA-N 425.338 2.445 30 10 IEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2365212101 QJTKCYQWKIPQEQ-JQVVWYNYSA-N 436.574 2.217 30 10 IEEE COc1ccc(/C=N/Nc2nc(S[C@H](C)C(=O)N(C)C)n[nH]2)cc1OCn1cccn1 59817934 YFHYHVUAHSDTHS-AYPRBGQRSA-N 444.521 2.061 30 10 IEEE CC(C)c1nnc(CNC(=O)CSc2nc(N/N=C/c3ccc([N+](=O)[O-])cc3)n[nH]2)o1 59878415 MPPBHGSHDDOIJL-FBCYGCLPSA-N 445.465 2.074 30 10 IEEE O=C(O)CCC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C(=O)O 254569189 NGQOPTJGOROEQY-UHFFFAOYSA-N 436.402 2.113 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CCC3(CCOCC3)CC2)CC1 439590597 SCQCSEVUASIIOD-UHFFFAOYSA-N 446.573 2.314 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 443335258 SGXBMUVOEVGAGR-LEOMRAHMSA-N 433.530 2.024 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 461314132 OEVSYOUFIBHCLI-UHFFFAOYSA-N 442.541 2.092 30 10 IEEE C[C@H](c1nnnn1C1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468969038 NMCYVJQPQRHFOB-MRXNPFEDSA-N 429.550 2.117 30 10 IEEE CCC1(CC)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC[S@]1=O 469511599 DYNSHPLBFVWYDU-PRAQEBQASA-N 434.581 2.158 30 10 IEEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 483221365 ZPDAFRUUJILVNO-VLOYRQLPSA-N 430.505 2.395 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1 483560288 IWRRATSCSUZGQI-CQSZACIVSA-N 447.492 2.065 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 503426501 HNYZCZAKXWFMJF-LJQANCHMSA-N 425.482 2.467 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](C#N)C1CC1)n2CC 505939777 YLIWQYXVOPBJCN-GOSISDBHSA-N 431.562 2.438 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C(=O)C(C)C)CC1 512184205 NYGJOBZJLCDUSC-UHFFFAOYSA-N 438.322 2.425 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNCc2cnc3ccc(C#N)cn23)c1 513045270 DBJGLSCVDURJFI-UHFFFAOYSA-N 448.346 2.345 30 10 IEEE O=C(C1CCN(CC#CCN2CCC(C(=O)N3CCCCC3)CC2)CC1)N1CCCCC1 530524842 FQZPMTWEMRBJMV-UHFFFAOYSA-N 442.648 2.439 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1Cc1ccon1 532265934 DOKMCFIXLVHXFN-UHFFFAOYSA-N 445.422 2.236 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 532780935 UIKQJZUBBCOLMF-UHFFFAOYSA-N 429.523 2.053 30 10 IEEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 561041941 GAQXLBTVEGSLKU-QGZVFWFLSA-N 426.560 2.193 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 590089854 KBMRHNBMUUMZBU-HXUWFJFHSA-N 433.555 2.458 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCO2 609764900 CGPVEOLVICEXFV-UHFFFAOYSA-N 447.516 2.047 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC(OCCCO)CC2)CC1 610705036 BPZSAPPDZYGVPI-UHFFFAOYSA-N 428.489 2.413 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2c(C)cc(C)nc2O)C1=O 726889969 UDTQTNGLDFOIOK-HNNXBMFYSA-N 429.502 2.075 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(C2CC2)C1=O 730139004 PFWAEYGTDUFSFS-OAHLLOKOSA-N 440.472 2.170 30 10 IEEE N#C[C@@H](C(=O)Cn1ncc2ccccc21)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 730687513 OKWUGHMOHRXEOL-IBGZPJMESA-N 432.440 2.002 30 10 IEEE COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732698789 IXUKVPBKMQSCES-LBPRGKRZSA-N 432.424 2.193 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@]1(C)CCOC1 733075327 IZOQVXSBMBNWID-AVRDEDQJSA-N 432.590 2.421 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(CC)cc3)c2=O)cn1 735068976 KADRBRNREGYKSA-UHFFFAOYSA-N 449.580 2.096 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(OC)c3)n(C3CC3)c2=O)cn1 735069051 ORXKNSHKLHJSSD-UHFFFAOYSA-N 434.521 2.246 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 749529264 BODLGBCENWILGH-UHFFFAOYSA-N 438.962 2.337 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CCS(=O)(=O)C1 753317542 LPUUNRYGKGIJDR-YUMYIRISSA-N 429.586 2.119 30 10 IEEE C#CC[C@H](NC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1)C(=O)O 757304186 DUTYPHPVOWOORH-SQJMNOBHSA-N 448.475 2.277 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)c(F)c2)c1=O 758049915 NPAKGWFIRRATKZ-UHFFFAOYSA-N 445.313 2.317 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c(C)c1 765543420 IDJOWZXKEZDUGP-LJQANCHMSA-N 442.589 2.237 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2nc3cccc(C)c3[nH]2)C1=O 765545979 ZXJSVCGITSMJFC-WAVOGARWSA-N 436.541 2.445 30 10 IEEE CC(C)c1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771550612 YVFIPMTTZQGFOS-KRWDZBQOSA-N 441.561 2.176 30 10 IEEE C=CCN1C(=O)C(=O)N(Cc2nc([C@@H]3CCCCCN3C(=O)OC(C)(C)C)no2)C1=O 779595559 KNVSUTUHLCIFRP-ZDUSSCGKSA-N 433.465 2.399 30 10 IEEE N#Cc1ccccc1OCc1ccc(C(=O)NS(=O)(=O)c2cnn(CC3CC3)c2)o1 781722402 DNXOVWSXPABOAE-UHFFFAOYSA-N 426.454 2.455 30 10 IEEE COC(=O)c1ccc(Br)cc1COC(=O)CCN/C(O)=C1\N=CC=CC1=O 801270807 JIGGAKIUVIWMTG-WUKNDPDISA-N 437.246 2.195 30 10 IEEE N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 804941084 LPKXIBPUKUJBSW-UHFFFAOYSA-N 433.433 2.480 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 808790673 ZBMNWHDEMXPVLA-BZSNNMDCSA-N 447.605 2.444 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)CC2)c1C#N 812271284 FZAMMGCXIINQCL-GFCCVEGCSA-N 433.456 2.427 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)n1 812944569 NUQIKMPHGFPSIF-GOSISDBHSA-N 438.532 2.355 30 10 IEEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 915215746 IEOOQQOWPQYVRI-GUYCJALGSA-N 433.493 2.322 30 10 IEEE N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)c1cccc(Br)c1 1127601298 OGMDRNLUYFCTMP-CQSZACIVSA-N 428.206 2.328 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(N)=O)c3ccccc3n2)ccc1F 1131361644 RBXPTRORFCCBOV-UHFFFAOYSA-N 428.445 2.189 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC3(C(=O)NCC4CC4)CCCC3)ccc2c1=O 1137067436 VVOJRXYTJXNUTG-UHFFFAOYSA-N 426.542 2.440 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 1141331797 WFTNSJRIGXVYOE-OAHLLOKOSA-N 445.520 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)C1 1153983896 ROWIKZSKPRNSOU-BXFSZVDSSA-N 444.511 2.051 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 1157127124 HYFYMBZUMZCDQX-MAUKXSAKSA-N 448.976 2.340 30 10 IEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC(c2ccc(C#N)cn2)CC1 1196418893 IOTBBZZRIOZIPR-INIZCTEOSA-N 441.557 2.410 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@]3(OC)CCS(=O)(=O)C3)c2)c1 1264326441 KYRTUNAXRGYSAK-JOCHJYFZSA-N 427.478 2.015 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1286484115 DZYOSHYHUMZGHV-LEWJYISDSA-N 425.581 2.100 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286562737 MKIPNERYLHZODM-JGQIHZOTSA-N 447.580 2.003 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286712741 JHZYTOXEJKVBPT-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1C(=O)OC(C)(C)C 1294032379 UVJWWQSXTSRUIT-CYBMUJFWSA-N 425.482 2.204 30 10 IEEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1295135303 RYRBWLZQMKUYTH-ZZEZOPTASA-N 443.552 2.102 30 10 IEEE CN(CC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298250439 WAXHLUAOXCUATP-YXNALHSASA-N 428.415 2.045 30 10 IEEE CN(Cc1ccon1)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298473387 KXOREVMQSKVBDM-DQRAZIAOSA-N 447.499 2.214 30 10 IEEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1298605166 XHXRZJONIHXBAM-ZZEZOPTASA-N 441.442 2.435 30 10 IEEE N#Cc1ccccc1COc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c1 1299141105 CJYGALORDCAJFF-RTWAWAEBSA-N 426.494 2.165 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCS(=O)(=O)C1CC1 1299387040 UQZCTZIOJPLBDI-GOSISDBHSA-N 433.530 2.086 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)c(F)c1 1300641814 KGRCPXFJDQWYMW-ICSRJNTNSA-N 443.523 2.339 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCNC(=O)C(C)C)CC1 1300690534 CYSQYYBQCHNLSK-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300725863 LAOMGDSAUBXRHZ-LEWJYISDSA-N 444.624 2.114 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccc(C)c2)C1 1301554790 NGHQTAPSQFYCCU-LJQANCHMSA-N 433.516 2.255 30 10 IEEE C#CC[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccccc1 1312323106 WCBCIEJCHMGSCW-QRVBRYPASA-N 447.557 2.179 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1316258065 WQZRFPGAYUVRRE-IBGZPJMESA-N 436.520 2.340 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1316270413 WRVWUDRJGWTBNL-SLHNCBLASA-N 448.612 2.486 30 10 IEEE N#CCC1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)c2ccccc2)CC1 1316537497 CPSCBHGWUNSGIS-UHFFFAOYSA-N 437.529 2.339 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CN(CC(C)C)CCO1 1358980452 VSIVIYGREYSNCI-QFIPXVFZSA-N 435.572 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358991207 RGKFRFNUSDFOLM-FQEVSTJZSA-N 430.487 2.286 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC(=O)N2)C1 1359314708 GRSQPGOOUQSJJA-CABCVRRESA-N 449.353 2.106 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCCC)C1 1359322224 RRMHFUJCLBZCOH-APWZRJJASA-N 427.505 2.098 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1360340462 CSRJQMOVRPOYPN-YADHBBJMSA-N 432.569 2.221 30 10 IEEE CCCCCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1440787112 VFSHJYQDMTVRQD-UHFFFAOYSA-N 438.594 2.112 30 10 IEEE COc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2OC)N2CCOCC2)cc1OC 1440896943 AQZBRBZBSPOFDE-IBGZPJMESA-N 425.485 2.387 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1443147036 WDEOQIMWMWOWNJ-MSOLQXFVSA-N 436.553 2.204 30 10 IEEE CN(C)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C(F)(F)F 1460984106 ACPMGLDXPYYCIU-UHFFFAOYSA-N 426.420 2.449 30 10 IEEE COC(=O)[C@H](CCC(=O)N(C)[C@H](C#N)C1(SC)CC1)NC(=O)OCc1ccccc1 1462375212 FESWBKHDBXAFTO-DLBZAZTESA-N 433.530 2.481 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@@H]3CCCCC3(F)F)CC2)cc1 1462786034 AYIICWGNYLRJDK-INIZCTEOSA-N 447.529 2.020 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)C2)C1 1464621489 CZPZVIZMPIBZIH-LPNSBIIDSA-N 430.549 2.290 30 10 IEEE C#CCN1CCC(NC(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)CC1 1471938636 UHYCTKFQFWSLKW-HNNXBMFYSA-N 448.361 2.131 30 10 IEEE CC1CCN(CCn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1494085606 HSPJEYRMLPRDGX-SFHVURJKSA-N 428.512 2.457 30 10 IEEE CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 1500943084 GJMQUVFQQWTSGD-WAOWUJCRSA-N 434.610 2.042 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC(=O)NC(C)C 1504876182 NKSBLNXSFYYLCU-LJQANCHMSA-N 426.521 2.179 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)NC1CC1 1507514139 PKJKQPBJKUWOQU-HNNXBMFYSA-N 442.951 2.378 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1507787780 HKCKSRYBCRHICS-HNNXBMFYSA-N 446.309 2.442 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(C)(=O)=O 1507789212 VGIKOEHTTTVDHL-UHFFFAOYSA-N 434.385 2.023 30 10 IEEE C=CCCCn1c(COCC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1507956169 DKTMKCVHPDYENY-UHFFFAOYSA-N 443.577 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCOC2(CCC2)C1 1508134519 FWKKWGUAWSXRST-UHFFFAOYSA-N 432.546 2.314 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508150442 MENFEIUHEHGWSK-SFHVURJKSA-N 446.533 2.114 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ncnn2C(C)(C)C)CCOC1 1508410578 FKLHXXGMFORUMT-IERDGZPVSA-N 430.557 2.309 30 10 IEEE CC[C@@H](C)c1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1512839998 JILBCZVSEUIBSF-DSGGYQJVSA-N 438.536 2.221 30 10 IEEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1513756411 KYMSWIDMHDBBQZ-LIRRHRJNSA-N 434.591 2.377 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1517472962 FIFRWGPPGBDYTC-DEOSSOPVSA-N 449.559 2.086 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C1 1517679577 CDUKSCVVGOOVII-VGOFRKELSA-N 425.489 2.297 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1531591882 NFXPXLYJBMPLQI-OIISXLGYSA-N 443.363 2.310 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)c3ccccn3)CC2)cc1 1537821134 GJJBHBUXDWOUIN-UHFFFAOYSA-N 426.498 2.242 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)cc1 1538972011 JBFUVSJVOVRXAH-IAGOWNOFSA-N 432.594 2.241 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1(=O)=O 1538992257 NWRSXQLBAKAUJV-NVXWUHKLSA-N 432.546 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1539013023 HQUMJEPAFWRBHI-WBVHZDCISA-N 432.546 2.094 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539134037 PVNSAKDLSDSZJC-UHFFFAOYSA-N 445.589 2.439 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1539220752 VBIZFTJBGLNPEB-WOJBJXKFSA-N 435.638 2.368 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1nccnc1C 1539406261 XFPFGKYAIVBSRJ-UHFFFAOYSA-N 434.500 2.143 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1Cc2ccccc2O[C@H](C)C1 1540874840 TWSDNNMFQQMROB-GOSISDBHSA-N 435.532 2.229 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1540890947 MZEIYBMWFPFRNY-OALUTQOASA-N 446.573 2.210 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1540894975 IHDCYEGPALWNSX-XQFWAAQXSA-N 428.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 1540901128 UBHXNLOEYDROAE-CQSZACIVSA-N 438.937 2.199 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1540912314 UJUFJQKJYNIIHP-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE CC(C)CCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1541532444 VUOTVGPHPQGBIS-INIZCTEOSA-N 437.504 2.385 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1542986957 DUQULCSKHTXPCG-VHEBQXMUSA-N 440.552 2.089 30 10 IEEE CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1 1543606304 USACWDMIYWYETO-UHFFFAOYSA-N 444.362 2.132 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1544266615 YIFRSIGNKPESQP-BRSBDYLESA-N 446.552 2.156 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCN1CCOCC1 1546528774 BJNYBMGTKBNXJE-UHFFFAOYSA-N 443.983 2.414 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)CN1CCCCC1 1546532196 CLJXJNMSMYEVHN-MOPGFXCFSA-N 437.596 2.339 30 10 IEEE COc1cccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c1 1555032511 AHDVQNKPVAGVHK-DLBZAZTESA-N 426.521 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCCN(Cc3ncon3)C2)CC1 1556565842 XEYRAVAEDGUDAN-GOSISDBHSA-N 431.537 2.048 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 1557172451 LTVUAABWJLIQHF-MGPWXQLLSA-N 427.379 2.041 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)s1 1557261070 LPYUPVPAORJHIF-SFHVURJKSA-N 442.603 2.391 30 10 IEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)C1CCOCC1 1557577193 FKTZUKLOQRLLPH-HXUWFJFHSA-N 432.567 2.427 30 10 IEEE COC(=O)c1cccc2c1CCN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2 1559887998 CGRXKEIUXZTALC-FQEVSTJZSA-N 438.553 2.302 30 10 IEEE CCOC(=O)CC1(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOCC1 1560029370 QUXWACOZPNJKPJ-UHFFFAOYSA-N 426.435 2.265 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1)c1cc[nH]n1 1569106098 JWBCPPSSICOUDS-UHFFFAOYSA-N 434.443 2.453 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)n(C)n1 1586321031 XHOWVYAYLOVLRP-DLBZAZTESA-N 440.935 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CCC2)C1 1587317275 KNLQDAXAAXMRIB-MBSDFSHPSA-N 432.565 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(C)(=O)=O 1587575151 QKYCFHFPWMSECD-INIZCTEOSA-N 426.546 2.199 30 10 IEEE C#CCCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1587893617 GDBTXZFFLUEPNS-LJQANCHMSA-N 429.487 2.416 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1588121029 XGVNPGDFYBUKFU-UHFFFAOYSA-N 435.553 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O 1588205072 BRYDFGYUQUHPDQ-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1588378917 TWTRHYCFZUUXQE-KRWDZBQOSA-N 430.553 2.154 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 1588765676 LREAIPCRZVLOJZ-UHFFFAOYSA-N 426.538 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCc2nnc(C)s2)CC1 1588955450 XLZGGNICZYRQNJ-UHFFFAOYSA-N 441.605 2.379 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593757856 PBOWQXKVJMWOLL-SFHVURJKSA-N 442.568 2.135 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1595506473 BCORZKXWBRWXKJ-FOIQADDNSA-N 441.532 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595529661 CGKWJPBKJPZLBK-UHFFFAOYSA-N 449.559 2.215 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2)N(C)C)C1 1595745625 UNAYSNHNPUPAAB-LEWJYISDSA-N 438.576 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCOC1 1595765662 FJGXTWTVRPBVNY-INIZCTEOSA-N 449.533 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1595766873 ZQJVRDOIJONDHW-KRWDZBQOSA-N 442.488 2.367 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595890462 VJXVGCZKOIAJHZ-HXUWFJFHSA-N 428.606 2.484 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)[C@@H](C)C1 1596249924 MTHYEDPTSHIFKN-HNNXBMFYSA-N 448.474 2.415 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3F)C2=O)c1 1613479068 JIADZADGHHETOO-NRFANRHFSA-N 426.379 2.061 30 10 IEEE CC/C=C\Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1614274327 PXLJWYRDDXJWKR-PHWHVTFISA-N 440.573 2.491 30 10 IEEE CCOC(=O)[C@](C)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1616436405 DVHDVJOIYYHLTF-OAQYLSRUSA-N 432.473 2.374 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 1618029954 NWOCYQHCHICYIE-RTBURBONSA-N 447.601 2.143 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nncn2C)cc1Br 1619165243 BXYCLLCSNQUYKV-LBPRGKRZSA-N 445.325 2.489 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1624679125 FLODQRHLPJTVIU-HNNXBMFYSA-N 442.541 2.326 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@](O)(Cc4nc(CC)no4)C3)n[nH]2)c1C 1629721269 HESHMKQHQLGJJQ-JOCHJYFZSA-N 439.520 2.231 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1630276656 OQLIOKFALXUKLV-VFNWGFHPSA-N 425.526 2.342 30 10 IEEE COc1ccc(C(=O)NCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1630523738 ZIZZHUQZNRPCFE-UHFFFAOYSA-N 429.517 2.192 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)cc1F 1634796730 RVWRTBKWSAKPBD-UHFFFAOYSA-N 436.371 2.262 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1637736051 LIMRZXGCCPYJMG-CABCVRRESA-N 447.960 2.463 30 10 IEEE CN(C)C(=O)C1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1641001736 CUHSCDNKQYANDU-UHFFFAOYSA-N 448.589 2.193 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1644583377 MZVOTKGUGKDBSV-GHTZIAJQSA-N 445.516 2.290 30 10 IEEE N#Cc1cccc(ONC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1648726243 HIZYFMQTLOWDJK-UHFFFAOYSA-N 445.497 2.278 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@H](C)N1CCOCC1 1649680452 AEBFCORGGAECGF-SFHVURJKSA-N 440.548 2.326 30 10 IEEE CN1CCN(c2ccc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 1650715183 VDRDFYUGMPRZMI-UHFFFAOYSA-N 427.549 2.422 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 1682509386 REBQOVWETXEABR-LJQANCHMSA-N 428.533 2.230 30 10 IEEE COc1ccc(CN2CC[C@H]2CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 1684000155 RRWYQRMPVHARRO-SFHVURJKSA-N 440.573 2.438 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1685525439 YXFYXKCYXNAUTA-QGZVFWFLSA-N 433.921 2.410 30 10 IEEE C#CCN(C(=O)NCc1cc(C(=O)OCC)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1687369835 HPHRLYWHNWIODC-UHFFFAOYSA-N 434.493 2.396 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 1687449686 ITFRDIDOCBIBKU-UHFFFAOYSA-N 433.578 2.030 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC[C@@H]2COCCO2)c1 1689872138 PGDXSGYXGBSIBR-HXUWFJFHSA-N 425.533 2.338 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1689910632 MJHAEKFFSOQDOQ-GOSISDBHSA-N 430.597 2.299 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1689944021 ILVJUSVRABHDGI-UHFFFAOYSA-N 449.462 2.155 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1690032754 IJXFJDZEYHYLIR-KRWDZBQOSA-N 449.490 2.173 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=C)Cl 1690104298 RVZRVRFVJCAWKY-MRXNPFEDSA-N 439.944 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(F)CCC2)CC1 1690137905 LISHLRBAKQYFOS-QHCPKHFHSA-N 447.555 2.178 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690308711 XLWZROXAKAOVER-GOSISDBHSA-N 448.593 2.041 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690313046 KDKDLDMYTFLGQW-GOSISDBHSA-N 438.594 2.312 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1690592715 GRXXLAKVVQIOHJ-QGZVFWFLSA-N 428.537 2.153 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690663349 UCWIDMGIACXGNO-KRWDZBQOSA-N 438.532 2.150 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690673476 WNUXPNKSUZPJCQ-QHCPKHFHSA-N 443.523 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2snnc2C)C1 1690687566 DTPAVHRIFRJGEU-OXJNMPFZSA-N 434.566 2.308 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1697045353 NJLYXDNWGTVLRF-RTBURBONSA-N 425.489 2.012 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1705490751 PVSFCEUQDPKAPZ-MRXNPFEDSA-N 447.543 2.049 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705561852 VADVBVYHULXNAM-AWEZNQCLSA-N 428.436 2.002 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1705562284 ZLVKCEMFQAWVBD-GDBMZVCRSA-N 432.575 2.176 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705567957 DNLZYENQKWIQNI-CYBMUJFWSA-N 446.426 2.185 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705568582 QPBAXOXNZAWJNK-OALUTQOASA-N 446.573 2.136 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705569140 ZVPUKORYFHJQJJ-OALUTQOASA-N 446.573 2.075 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1705614353 GDCNAMPUSRRVOR-OAHLLOKOSA-N 443.495 2.328 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1705633780 YMZJDFBKLXTBMU-PMACEKPBSA-N 437.592 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1705648375 SFNXXKPVUNEDLG-QGZVFWFLSA-N 440.548 2.082 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705810471 ZLFYSYQFEUIJBC-ZCNNSNEGSA-N 447.580 2.186 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1705903050 PEUWBQKXCBMDHA-IAGOWNOFSA-N 445.568 2.291 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1706060405 RWJHXHBHPDNJOP-RTWAWAEBSA-N 449.559 2.086 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1706068190 GBQOCBVNDIWHKS-ZDUSSCGKSA-N 425.331 2.041 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1706069785 HPIKWMNPLKOWMP-CABCVRRESA-N 427.534 2.081 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1706076152 YLOQZHHPOCQZPH-RDHHWEPZSA-N 438.598 2.204 30 10 IEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1706227261 WXVOLVGNZSHXCD-UYAOXDASSA-N 449.559 2.084 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C1 1710847787 SBQLDULPJLEBPP-REWPJTCUSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@H]1CO 1722287385 PBIRXJUZTNCTKU-ICSRJNTNSA-N 439.560 2.411 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1722295560 XEZCGRVGRINNQZ-OAHLLOKOSA-N 429.484 2.102 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCN1CCN(C(C)=O)CC1 1722391928 YVYSUHOKTJMNDQ-XMMPIXPASA-N 446.599 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCc2ccccc21 1722401064 JZHKXWMJTCZXAY-UHFFFAOYSA-N 430.556 2.316 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1722411980 SSPNFRMEBSVNJM-INIZCTEOSA-N 444.557 2.346 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1722704275 FVBYRWGNKIMPRI-IBGZPJMESA-N 449.559 2.420 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722739160 AUFVOCWACLJQSV-MJGOQNOKSA-N 448.637 2.228 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1723895238 WCUFMJGBXHOMIA-ZACQAIPSSA-N 434.541 2.062 30 10 IEEE Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(C#N)o2)cs1 1725224221 NCNMMLASRZCBGB-UHFFFAOYSA-N 427.534 2.498 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727621634 HPRJBIMBIMPSSL-PNBGARPFSA-N 440.479 2.084 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCSC1 1729368920 CGKPCQPPPNJWFM-MRXNPFEDSA-N 435.575 2.105 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCN(CC)CC1 1740543873 YANDNNBGLDCXBM-LJQANCHMSA-N 438.576 2.202 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740576292 ZZBWMWITSDMDRO-QZTJIDSGSA-N 429.546 2.036 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740581441 XYFSNWBHWRSPOL-QGZVFWFLSA-N 446.577 2.053 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1740627049 OGUFFXDIIYAODB-PMACEKPBSA-N 428.558 2.156 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1740636320 XTNXDWBIIWLHEP-TZIWHRDSSA-N 430.516 2.055 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCn1cc(Br)cn1 1740654764 QDUANKOZBSXLIJ-UHFFFAOYSA-N 438.333 2.386 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740761325 VUZNNSFZOJQOIL-OFNKIYASSA-N 444.624 2.202 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1740833021 KEPMGDOHEYAYKG-SQNIBIBYSA-N 438.642 2.411 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2oncc2C1 1740883958 LAEFMPFKCULOBS-UHFFFAOYSA-N 443.529 2.492 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740955738 DWFBVDDFDXEASB-KRWDZBQOSA-N 437.504 2.332 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740961909 LYAWCVJQEASYST-UHFFFAOYSA-N 434.548 2.167 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)c2ccccc2)CCOC1 1741731687 KNTZPUDVODEHKC-OFNKIYASSA-N 440.548 2.184 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCSCC1 1744046194 CXRJQVPJSQWRMQ-UHFFFAOYSA-N 433.626 2.375 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(C)C)cc1 1748639563 JIULIRFCOMPGGL-IAGOWNOFSA-N 433.578 2.429 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748703407 OWFFJWCOCYYDGH-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)N1CCCC1 1748784541 ORYFFJQJRWLKEL-IBGZPJMESA-N 443.621 2.428 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1748892696 VDOSFUDBLXWXNJ-SFHVURJKSA-N 445.564 2.210 30 10 IEEE C=C(Br)Cn1c(N2CC[C@@H](OCCOC)C2)nnc1[C@]1(OCC)CCOC1 1749113239 WGQZBLXABRBPGI-QAPCUYQASA-N 445.358 2.081 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1749368506 KYDBNJKXPDSPIO-CVEARBPZSA-N 443.639 2.155 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749420765 BOIYKMWUBRYRQN-UHFFFAOYSA-N 438.536 2.307 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)C1 1749650105 JUCZBSCJPDDPJJ-UHFFFAOYSA-N 426.521 2.065 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(OC)CC1 1749732183 RPOPZHZCJJEFLM-YLJYHZDGSA-N 426.583 2.168 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1750076495 OFEZNKIOIYLXNG-ZDPZECHZSA-N 448.568 2.343 30 10 IEEE C[C@@H]1CCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1752194638 CBPQZYHLSRRYCI-QRWLVFNGSA-N 431.541 2.196 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1760129803 ZMVNKYWUZYPLRK-UHFFFAOYSA-N 439.564 2.276 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760183851 RSIOQQHPCHYWKJ-MRXNPFEDSA-N 428.514 2.089 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760185471 XQCPCPLNACIWRJ-SFTDATJTSA-N 441.601 2.446 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CSc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760192687 MAVQYDVEMIQFNK-SJORKVTESA-N 446.598 2.331 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1760214645 WTQQQJNLUAUGCQ-UHFFFAOYSA-N 449.555 2.290 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2nnc(CC)s2)CC1 1760267418 LAIYXRAQDNOWFU-UHFFFAOYSA-N 435.557 2.373 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760278251 OIOBCCIRNNHMMS-UHFFFAOYSA-N 434.573 2.440 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1760380923 SLZJCYWOKHQFCQ-KRWDZBQOSA-N 438.523 2.027 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC(C)C 1760482907 VYBAFUWZDFZIPI-UHFFFAOYSA-N 428.512 2.370 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760502557 CQWOVMACGKESPZ-SFHVURJKSA-N 435.532 2.371 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1760534211 STVHZDZQPBHVMX-HZPDHXFCSA-N 444.502 2.082 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1 1760557614 RDTRBCISFXLCDC-UHFFFAOYSA-N 428.562 2.377 30 10 IEEE Cc1c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1761629241 IENJFCQZYWPTJR-RDJZCZTQSA-N 425.468 2.376 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCCO1 1762694535 UMERTVKYTCEJFG-XLIONFOSSA-N 438.532 2.069 30 10 IEEE CN(C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766923268 HETZYZPTGANUFF-GOSISDBHSA-N 425.537 2.252 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1769386733 COUKSBHFILBQJA-GCJKJVERSA-N 425.489 2.012 30 10 IEEE CO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1769595095 JEUXKECFFGSHCL-SJCJKPOMSA-N 441.389 2.335 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C1 1770110687 LKOVJZSSQLHBJX-FQEVSTJZSA-N 440.548 2.363 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1770504697 DZRUPKOMZVCIHX-HTAPYJJXSA-N 444.511 2.028 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCCCN2CCCC2)CCO1 1770747367 INIXIHFJBMWLOL-RTBURBONSA-N 429.569 2.004 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)OC 1771099196 AJXZFPJBLYZVCM-UHFFFAOYSA-N 440.548 2.464 30 10 IEEE CS(=O)(=O)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1771354110 GLWHMTDAQONMEB-FQEVSTJZSA-N 430.509 2.227 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3ccc(C#N)c[nH]3)c2C)C1 1851006443 MAFQWTMCFLUAFH-OAHLLOKOSA-N 434.422 2.410 30 10 IEEE Cc1ccc(-n2nc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)nc2C)cc1 1852670904 RJQWCMSELHEKKS-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE C=CCN1CC[C@@H](N2CCN(C(=O)CCc3ccc(Br)s3)C(=O)C2)C1 1853633227 UZXJBJYHXNXUIL-CQSZACIVSA-N 426.380 2.374 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1c(C)cnn1C 1857020347 GOVVLNCKOUJOPI-MRXNPFEDSA-N 428.514 2.187 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(O)c1 1862748189 ZYXKWNAZTYCDEO-SFHVURJKSA-N 425.397 2.015 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870002347 KYGYHSOZUBXEBX-INIZCTEOSA-N 435.937 2.144 30 10 IEEE Cn1ccnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCOCCO 1870232984 RVTMINZCWAXDRT-UHFFFAOYSA-N 440.525 2.334 30 10 IEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)cc1 1874434707 TWUQBHRQYVYPJY-WSDLNYQXSA-N 432.550 2.243 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891143704 LXFHNPBJPLVRFL-QGZVFWFLSA-N 425.514 2.173 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2010225453 ONWIKDXKTLCKKP-BBWFWOEESA-N 439.553 2.027 30 10 IEEE C=CCC1(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2010226933 HWLCNVPRLHQLAW-JKSUJKDBSA-N 439.553 2.144 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)C1 2020889358 VOLQXVSGDWXCJT-CVEARBPZSA-N 439.553 2.334 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@H]4CCN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2116069805 VMJXRPWYDWJOJJ-SFTDATJTSA-N 436.365 2.256 30 10 IEEE Cc1ccc(C#CCN)cc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2146009582 DTAKHOAQWWPHBX-UHFFFAOYSA-N 425.510 2.123 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@H](O)C#Cc1ccccc1Br 2227478827 AIYHKFXPYQTITL-JKSUJKDBSA-N 446.363 2.490 30 10 IEEE COC(=O)[C@@]1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2232315167 CFTRIRYQJMKDJU-JOCHJYFZSA-N 448.325 2.312 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237392644 JWHXIILAUPOJKF-OXJNMPFZSA-N 437.334 2.482 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)C1 2247554005 IBIMOCYOWZEGIK-DKXYKWQCSA-N 437.537 2.093 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255535547 XBQXNSYABZYCFE-ZIAGYGMSSA-N 449.382 2.285 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255810746 MWRXNOBBKSWEJX-PWSUYJOCSA-N 447.288 2.114 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2256928184 QVWKLOQXCBQJRO-QGZVFWFLSA-N 428.294 2.104 30 10 IEEE C[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2258959721 VVHTZGGRTSVMAP-QGZVFWFLSA-N 435.374 2.069 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2266061723 JJBZYPOJGOOACE-JKSUJKDBSA-N 447.341 2.328 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267135599 FEDYGPNZWIWATP-GJZGRUSLSA-N 446.357 2.323 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267144462 WXIDAVXZVWNNBP-HNNXBMFYSA-N 448.373 2.428 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267279337 HDRNUHACRFKNHI-MRXNPFEDSA-N 449.357 2.022 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267532664 HXEBSUFEBBJYPM-GOSISDBHSA-N 438.381 2.456 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267871770 DWEDIUFLTNCNJC-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE Cn1ncc([C@@H](C#Cc2cccc(Br)c2)NN)c1I 2278735402 OPEBXDRWDYKAJX-GFCCVEGCSA-N 431.075 2.343 30 10 IEEE C=CC[C@@]1(CN)CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2287697510 NCLAURJICPPGPA-QFIPXVFZSA-N 433.574 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](O)C#Cc2ccccc2Br)(S(C)(=O)=O)C1 2351739122 FCTCDQSKOVPVAP-HNNXBMFYSA-N 444.347 2.196 30 10 IEEE C=CCNC(=O)CN1CCN(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 28902743 SAHBODOJCFTYNB-QHCPKHFHSA-N 426.586 2.264 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 409547243 CNFKSVURRZKOQS-WFASDCNBSA-N 432.340 2.369 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 460808733 JUUOKDUAALCLNH-MAUKXSAKSA-N 435.550 2.090 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3OCC(F)F)cc2C1=O 464716222 ZMSCTVPYPHOYOG-UHFFFAOYSA-N 429.379 2.464 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N(C[C@H](C)C#N)C1CC1 468053414 YRCMABYGIVTEPF-CQSZACIVSA-N 429.546 2.220 30 10 IEEE Cn1cc(-c2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(C#N)cc3)on2)cn1 469539455 GXWRIXHTZDEXDG-KRWDZBQOSA-N 427.486 2.317 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 477972995 FFUYMGLIOOVDLP-ONGXBYRLSA-N 435.509 2.083 30 10 IEEE N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502030409 GUWUFWNBCZHJNX-IRXDYDNUSA-N 444.944 2.089 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)c1 503390429 LNJHXALONKYFRL-VGSWGCGISA-N 431.489 2.187 30 10 IEEE COc1ccc([C@@H](CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)NC(C)=O)cc1 504144996 RHUCOZHCSURDPO-FGZHOGPDSA-N 434.496 2.446 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(-c2ccccc2C#N)c1=O 505701724 ZANNEIDVKZGIBU-UHFFFAOYSA-N 445.548 2.321 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 508816848 LENKMOMPRJVPNQ-UHFFFAOYSA-N 441.557 2.494 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 508856602 LGLYKCQFNVBSAI-UHFFFAOYSA-N 448.527 2.430 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)CC1 522309314 GLSCIRXSWJPUGJ-UHFFFAOYSA-N 439.516 2.012 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 549677930 MNGCTRXOPIFDEA-AZUAARDMSA-N 445.589 2.489 30 10 IEEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 549795411 IIFAUKGXLVDNMX-FQEVSTJZSA-N 444.511 2.130 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)ccc1C 556026592 PJLHSAXLZGIKIN-KRWDZBQOSA-N 438.549 2.136 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@H]1CCCO1 603798503 MEDZOLLMRINAHB-LJQANCHMSA-N 439.581 2.125 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610810780 IJQWPWCHEBDJDM-RBUKOAKNSA-N 440.569 2.348 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)CCS(=O)(=O)c3cccc(C#N)c3)C2=O)c1 611090178 FXICZERCSIPCNN-NRFANRHFSA-N 443.525 2.086 30 10 IEEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670221439 AVZOYIXMZBOHNY-IBGZPJMESA-N 433.516 2.330 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 685549754 NYKJQSFRBZMFPJ-HOTGVXAUSA-N 435.532 2.341 30 10 IEEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1 730715025 ADPDKHYLOKQMAW-SFHVURJKSA-N 445.545 2.273 30 10 IEEE COC[C@H](C)n1c(SCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nnc1-c1ccccc1 732650913 MAOAVLNDMKGJRA-LPHOPBHVSA-N 440.573 2.443 30 10 IEEE COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1C#N 747008161 QEKGXEVFDRMTSM-UHFFFAOYSA-N 432.502 2.051 30 10 IEEE CN1CCN(S(=O)(=O)c2cccnc2NN=C(C[C@@H]2CCOC2)c2ccccc2)CC1 753933157 UIEWPBWYMYWZQI-SFHVURJKSA-N 443.573 2.261 30 10 IEEE C#CCN(C1CCCC1)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 757374376 MDDKMQZNWARNMP-UHFFFAOYSA-N 426.336 2.206 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@](c4ccccc4)(C(F)(F)F)C3=O)CC2)n1 760550433 MTRMFBLWJWEKLD-FQEVSTJZSA-N 444.417 2.042 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCN(S(C)(=O)=O)CC2)c1=S 764862963 ABQUOYNCKZTEDV-UHFFFAOYSA-N 437.591 2.022 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 767830218 PAIUJKDEUQYPSB-KRWDZBQOSA-N 445.335 2.372 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1 768544093 PAJLPYREZGKESN-UHFFFAOYSA-N 431.540 2.136 30 10 IEEE CC(C)Oc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1C(N)=O 788841411 MFOQIYOBHAWUMG-CYBMUJFWSA-N 444.513 2.029 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1nc2ccc(Br)cc2[nH]1 789017966 XWSXYSKRLVXQJP-UHFFFAOYSA-N 449.286 2.219 30 10 IEEE C#C[C@H](n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C 804892286 BVKOLBCQOSFCND-SFHVURJKSA-N 444.586 2.314 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCOC[C@H]2CC(F)F)c1 806217582 JVKUBHATLAYYBH-CHOFAJOMSA-N 430.477 2.387 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(CO)c2ccc(O)cc2)cc1 808819878 RLCNEFUJKSKQEQ-WGHBEHPSSA-N 446.529 2.234 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 831243392 JGDMTIOQIGZZQA-INIZCTEOSA-N 443.525 2.094 30 10 IEEE Cc1ccc(C(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)cc1 1084358284 NIWRSGCUEDKQQF-UHFFFAOYSA-N 427.446 2.335 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCc3cncc(C#N)c3)ccc2Cl)C[C@H](C)O1 1156107706 AZNHOPAIPANIRY-KBPBESRZSA-N 448.932 2.335 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1158566876 GSGAMNZIWYKMPZ-SJORKVTESA-N 440.301 2.364 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(CC#N)cc1 1163196639 WJTVCYRTWKHAGG-LJQANCHMSA-N 447.944 2.256 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 1171834698 POKGGBAGOGITHG-MRXNPFEDSA-N 437.443 2.442 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1178460755 QZQKHZUYWXYOIQ-IBGZPJMESA-N 443.511 2.443 30 10 IEEE CC(C)(C)N1C[C@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1=O 1213181208 DQQXMTKMKRCKME-JTQLQIEISA-N 432.315 2.385 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1235059409 BEWBXSYWBJCZMB-UHFFFAOYSA-N 427.549 2.196 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1264169163 VRDBNIKSWKBKKB-HXUWFJFHSA-N 435.590 2.288 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286356947 WHDIUASECIUZCO-FQEVSTJZSA-N 438.580 2.135 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286396494 VRPRTAGBKLGXHO-WOJBJXKFSA-N 443.573 2.093 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC(=O)NC1CC1 1286398226 HSPVOROMHICAIN-UHFFFAOYSA-N 432.528 2.279 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Cl)cn1 1286438174 RGOYWOOUXXSTGR-UHFFFAOYSA-N 432.937 2.358 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCC(=O)N1 1286461328 XDPXTDZWSXFVPY-NVXWUHKLSA-N 427.574 2.496 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286611735 NYMLEMJTFMXIJE-OAQYLSRUSA-N 444.624 2.346 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCCO)CC1 1286654385 IJSHYILGBRCDJI-UHFFFAOYSA-N 434.562 2.150 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286700490 NXGGYEDBRMIWBV-KRWDZBQOSA-N 449.602 2.170 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1286745381 VHTLXELNVWTSKI-GAJHUEQPSA-N 443.523 2.386 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)ccc(F)c2C1 1286789185 ASEZTWYOOYKWTJ-UHFFFAOYSA-N 441.486 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(C)C)C1 1286815870 GCPHUISFKUILCA-INIZCTEOSA-N 439.969 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286820028 CCUSKSXMRCSVQX-SFHVURJKSA-N 448.593 2.323 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286834664 JVVHRLCCJJNFHF-ROUUACIJSA-N 429.594 2.306 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCS1 1287298788 HUMFYODLVHAZFB-GOSISDBHSA-N 449.602 2.351 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1290975887 HQETWXSUWFYNNO-HNNXBMFYSA-N 449.481 2.368 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291496794 OQRZFWBNKPQTBT-QNCLTPOOSA-N 428.537 2.181 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCOC1 1296540719 VMWWVYZKIICOCP-REWPJTCUSA-N 441.532 2.244 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](C(=O)N4CCCC4)C3)C2)C1 1298716024 BNEXBIWCIXXRLY-PDIVGGKMSA-N 430.549 2.244 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1300602949 VWDCCBZINMYQAM-AWEZNQCLSA-N 441.504 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(C(OC)OC)c2)CC1 1300723466 UJGCMLDAGIZZML-UHFFFAOYSA-N 437.544 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCOc2ccc(OC)cc2)CC1 1300725921 GGCYJTJXGBIREA-UHFFFAOYSA-N 425.533 2.284 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1300743576 VFVDSDYLBXMVEO-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1300900561 QDMVUGDEAIHXPW-MRXNPFEDSA-N 433.578 2.412 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1301391186 RJGMRKGTDSDJNW-KRWDZBQOSA-N 430.530 2.178 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1301620499 GFBBHFSLOMMMIZ-SFHVURJKSA-N 445.589 2.306 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCC2(O)CCOCC2)CCOC1 1303488667 DABJAHJDNNGNMV-HSZRJFAPSA-N 447.580 2.380 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOc2ccccc21 1305789104 CPCYGQITBSTDBP-FUHWJXTLSA-N 438.532 2.492 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1311302867 UONWQDRREHDKCN-UHFFFAOYSA-N 433.253 2.417 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)CC#N)CC1 1313931315 XNAMDZCTBMVMPH-DLBZAZTESA-N 430.626 2.398 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCOCC(F)F)CC2)c1 1316533440 PWHBZLSOYXZUOH-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1358916501 NJZHPMCUQJTQRH-HTAPYJJXSA-N 443.573 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)Cl 1358987965 YJLPIHAPQXHUIX-UHFFFAOYSA-N 431.949 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1358992164 CBUWOOISLVOPMG-ROUUACIJSA-N 442.564 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)c1ccccc1 1358995765 FCEBORAVYXSEBP-UHFFFAOYSA-N 433.537 2.201 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359056145 ZFGFPNKRKYWTAT-KDOFPFPSSA-N 445.511 2.125 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCOC(C)(C)C 1359091430 NHEUCLWXBWBTMR-IKGGRYGDSA-N 443.614 2.121 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1OC)C1CC1 1359252925 LRUSPDGRYQQOJZ-NVXWUHKLSA-N 431.562 2.476 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359516479 AVBJQAFENRROKR-OTZFSBHDSA-N 430.553 2.353 30 10 IEEE COCCN(C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)c1ccc(C#N)cc1 1360188035 MPGYQRSHCFYCPR-UHFFFAOYSA-N 435.527 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)CC1 1446737161 VDCTVRRMZPNHGM-HXUWFJFHSA-N 429.492 2.476 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@](OC)(C(F)(F)F)C2)s1 1447791364 JAYNZWDNPSNHNW-OAHLLOKOSA-N 426.482 2.325 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC 1452205564 QFQKAKOXGUGROI-KONPQCLYSA-N 439.603 2.309 30 10 IEEE CC1(C)OB(c2ccc3cc(NC(=O)CCn4cc[nH]c(=O)c4=O)ccc3c2)OC1(C)C 1455330005 BVMFDRRYPIKTGJ-UHFFFAOYSA-N 435.289 2.018 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NCCNc3ncccc3C#N)=NO2)C1 1464504791 GPOGNLPAPJDNJK-NRFANRHFSA-N 428.493 2.027 30 10 IEEE C=CCn1cc(CNC(=O)N[C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)nn1 1468078352 HNSJZWCRPQEKRE-IBGZPJMESA-N 426.521 2.416 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(F)ccc1OC(F)F 1470503170 GYDPWGCCZIEXQH-UHFFFAOYSA-N 427.404 2.172 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@H]1C[C@@H]1C 1497055168 ACJLSSBOQUCRPU-MPGHIAIKSA-N 437.552 2.154 30 10 IEEE CC/C=C\Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1499864409 WFYVDADVKCHLJA-IYZQMXKPSA-N 437.548 2.490 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1505129140 AQFFETWXULDRNP-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507537418 LHSWAJUDTFASTH-HXUWFJFHSA-N 443.555 2.071 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507630942 JUHXBNZTUZZWBC-GOSISDBHSA-N 430.578 2.276 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1507634301 MHEOZHKOSQGBLX-IBGZPJMESA-N 445.589 2.335 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1C 1507673484 WAMMYWJWVSNPTB-ROUUACIJSA-N 425.558 2.405 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CCOC 1507689344 JZMWYUPDBUOREL-UHFFFAOYSA-N 448.612 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCO2)CC1 1507739439 HUHDGYJDLUEALA-LJQANCHMSA-N 442.589 2.169 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507787012 AJJPDQPGGIQHHQ-OAHLLOKOSA-N 446.309 2.442 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1507953207 FBYKBQLGKHMWQK-APWZRJJASA-N 449.577 2.480 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1508131555 LZZQMXDIKUXXIA-NZQKXSOJSA-N 439.516 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)CC[C@H]1C 1508131682 OWXVAQMGKXBETO-JKSUJKDBSA-N 432.550 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](C)C1 1508136849 WGWKQCHHJCOUAE-GASCZTMLSA-N 435.506 2.068 30 10 IEEE Cc1nnc(N2CCC[C@H](CN3CCCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511860170 BJEWFKNSKYBWFN-XKXPVHLMSA-N 441.580 2.205 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1513342970 PHWJHMMBXPKBIJ-QHCPKHFHSA-N 441.580 2.337 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ncc(CC)s1 1516538012 DUVFZVLZEXTDOC-UHFFFAOYSA-N 425.518 2.417 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1 1516811631 GSMGDQZRHBGDBY-OAQYLSRUSA-N 447.561 2.430 30 10 IEEE Cc1cccc2c1C[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CO2 1533672432 LFXLXIVUQKOUSA-LJQANCHMSA-N 439.537 2.387 30 10 IEEE CCc1ccc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 1534357724 HXJWJTHAYOEJNW-UHFFFAOYSA-N 439.497 2.270 30 10 IEEE C#C[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccc(Cl)cc1 1535468312 OTKFBOURWDCXFW-KRWDZBQOSA-N 439.942 2.263 30 10 IEEE C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(S(C)(=O)=O)cc1 1535625213 AFEMZTYKPHXVHX-CRAIPNDOSA-N 425.510 2.235 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539221319 ZQLCZSXJMWTFIO-MRXNPFEDSA-N 445.545 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN(C)CC(F)(F)F)CC1 1539473781 BANOKIPTHZOKQL-UHFFFAOYSA-N 448.493 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN(C)C(C)C)CC1 1539488128 IBQHLORMRVKXEU-UHFFFAOYSA-N 436.604 2.369 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539520995 ZQGIXAWTVRLHDV-QGZVFWFLSA-N 441.667 2.341 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1539744124 CSRLCWJKYTXXLT-KRWDZBQOSA-N 445.593 2.222 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1B1OC(C)(C)C(C)(C)O1 1539802752 JXHFKLWSUXKVNS-UHFFFAOYSA-N 430.335 2.335 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(C)C 1540148558 YTAGSTKKCGBKPN-WMZHIEFXSA-N 443.596 2.100 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1540863573 YKTCJXLQTNCINY-MRXNPFEDSA-N 430.557 2.093 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1540869286 IAPUBGXIPQRNGU-QGZVFWFLSA-N 449.559 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)CC[C@@H]1C 1540901396 BZCLLVFGTDYDTJ-GJZGRUSLSA-N 435.550 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1540907385 VBBHCZDVOGUIAU-MRXNPFEDSA-N 437.591 2.174 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540919998 KYYBBULRCXZZPO-OAQYLSRUSA-N 435.594 2.094 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccccn3)n1CCOCC(F)F)C2 1555987839 OKANJJMXVNDUOX-UHFFFAOYSA-N 427.415 2.157 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CCS2 1558716603 FDPSSGLCYMVFOK-MLZJXEJWSA-N 440.518 2.070 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)c1 1561998858 VTTFGJGPISDDTN-LFDOHDQPSA-N 438.571 2.098 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1568995303 PDBYQXJOMKLBJU-AWEZNQCLSA-N 431.493 2.053 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)s1 1587192539 SQSDJXDQXHHTGQ-FQEVSTJZSA-N 430.555 2.234 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1587766150 PIZHBVHKEAVUJX-LJQANCHMSA-N 447.630 2.367 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC=C(COC)CC1 1587848111 WZBRUISRXBQWCY-UHFFFAOYSA-N 428.562 2.435 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1588069908 UXRBJRILPQIATH-YESZJQIVSA-N 448.520 2.023 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCC)CC1 1588914196 ZWJRMWSOZIBZCX-UHFFFAOYSA-N 434.544 2.439 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1588969089 VIZSUEDPKAPZNU-SFHVURJKSA-N 446.621 2.013 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)C(=O)C1 1594591241 PBBAWQMASLOKRX-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1594733177 OLEMOMYXFOLRGB-OAHLLOKOSA-N 449.537 2.093 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1594830138 UDKLSZZRJRDTAS-HXUWFJFHSA-N 437.592 2.347 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1594895935 QGCLMGREAFCXFV-UHFFFAOYSA-N 441.561 2.337 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCN(CC)CC1 1594923494 PLVZIZNQNGUFBB-UHFFFAOYSA-N 426.565 2.366 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595831608 UOEKJUCIKRIDQD-XLIONFOSSA-N 426.583 2.156 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1595884806 UBXGROJJABGZSG-VQIMIIECSA-N 428.624 2.495 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CCO1 1596632847 GGWYUQMRKDAMBE-MISYRCLQSA-N 426.496 2.296 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1596813200 GLOMUTBENVTUJL-ZDUSSCGKSA-N 436.467 2.491 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1612178150 BXQIJVQXGBLRCY-QFIPXVFZSA-N 439.495 2.098 30 10 IEEE Cc1cccc(OCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1612252356 IFYMUQSBWZPLCK-NZQKXSOJSA-N 441.532 2.435 30 10 IEEE Cc1nnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)s1 1612527635 FUAQFFUZEMYTGK-OAHLLOKOSA-N 431.909 2.448 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)s1 1618332340 WUEMCOMWRQZEFV-ZDUSSCGKSA-N 446.558 2.121 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)C1 1620054974 QAIRJHGHPJZPOC-LJQANCHMSA-N 440.548 2.363 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)CC2)o1 1629569398 WTYRRHNEAMZSGE-UHFFFAOYSA-N 449.552 2.413 30 10 IEEE CCN(C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1)S(C)(=O)=O 1633274569 WLVZBAHVRRLRNV-UHFFFAOYSA-N 428.352 2.136 30 10 IEEE CCOC(=O)[C@]1(COC)CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1634780034 GAILEVYSGJMFMC-HSZRJFAPSA-N 436.549 2.455 30 10 IEEE COC(=O)c1ccc(CC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)cn1 1634946818 IOECBBLEJSTTSE-UHFFFAOYSA-N 432.484 2.108 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1637297626 FJDMFWOIQZGDLI-RTWAWAEBSA-N 444.576 2.499 30 10 IEEE COc1nc(N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)ncc1Br 1639566159 DONRRYFZQNFIGE-UHFFFAOYSA-N 437.229 2.493 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1640298587 JBXBPBASGQVDPB-NPYXIHBLSA-N 442.988 2.222 30 10 IEEE CCO/C=C/[C@@](O)(CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(F)(F)F 1641569674 HPVRRFXONZFACV-LKGOPFMKSA-N 425.411 2.110 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cn2)cc1 1643071721 JHHIHRWXBCMYCY-UHFFFAOYSA-N 448.508 2.260 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN(c2ccsc2C#N)CC1 1643810880 DVCBKMHJOYPDGL-KRWDZBQOSA-N 425.558 2.185 30 10 IEEE N#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(F)(F)F 1645010550 YZGVSGWAAMWMJV-MRVPVSSYSA-N 434.621 2.324 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC#N)C(F)(F)F)nnc12 1649076343 VXCBWFCCJTYZKX-ZDUSSCGKSA-N 436.419 2.283 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCC(=O)OCc2ccccc2)cc1Br 1660329269 DTFYZPWRSXKRPL-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)ccc1Br 1662783807 GGESGVNEPNGAQK-GJZGRUSLSA-N 433.349 2.051 30 10 IEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4ccsc4C#N)CC3)cc2CC1 1670341139 CQDCIYWRNFZPCW-UHFFFAOYSA-N 444.582 2.078 30 10 IEEE C=C[C@H](C)ONC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1683557049 ZARJOCWMHGPPKW-XIRDDKMYSA-N 437.541 2.070 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1689960923 DJVAUAITSRNQIK-UHFFFAOYSA-N 435.532 2.049 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1689972552 STNLLRCHGZJZOP-JOCHJYFZSA-N 446.603 2.420 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689985866 DCYFHNYAAAIMSK-GOSISDBHSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689992082 GXDDNGIRLKDMJA-DOTOQJQBSA-N 436.578 2.386 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690131050 SNNPKFHDGCMUIS-HSZRJFAPSA-N 434.588 2.077 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1690163999 YDIFPFSIADRFPS-OAQYLSRUSA-N 433.545 2.417 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690169803 OURCTCMJQSCXSB-UHFFFAOYSA-N 443.621 2.020 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1690372590 RPRHYUFBHLXEQO-CYBMUJFWSA-N 436.442 2.307 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1690527958 VFKGMBHPMSRUHT-GPMSIDNRSA-N 449.552 2.491 30 10 IEEE CCc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1694507996 UUXGENGIBSAFSH-UHFFFAOYSA-N 434.500 2.491 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(F)(F)F 1698165506 WMGXGVBYMJOCKC-AWEZNQCLSA-N 439.442 2.158 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C1CC1 1705481511 IALPZZMZNUBTMB-BEFAXECRSA-N 431.562 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCCC2=O)c1 1705585654 XULXQHMXHAPVMR-UHFFFAOYSA-N 441.539 2.388 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705610045 ZWBSKDRVJGGALG-OAQYLSRUSA-N 438.576 2.356 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1706074807 FHAFHFGNYDCBBB-IRXDYDNUSA-N 447.561 2.250 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)C1CC1 1711563012 FVIVABQCHKGKLP-MOPGFXCFSA-N 429.546 2.113 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722313786 CYSAOTNCFSVYHF-LJQANCHMSA-N 426.546 2.138 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722381249 LUCNRHCYLUUEPP-MSOLQXFVSA-N 439.482 2.246 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1722416704 PMYPYEPHNMQTNH-UHFFFAOYSA-N 438.561 2.095 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(N(C)C)CCC2)CC1 1722440877 GNCWGMZZVUKZKA-UHFFFAOYSA-N 426.540 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CC)CC2)CC1 1722453265 QPRFRYPGIUXHAG-OALUTQOASA-N 429.565 2.158 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1722529845 FCQVQETVXHUNIP-UHFFFAOYSA-N 429.521 2.257 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCS2(=O)=O)CC1 1722571551 DLPXNVIJRBKRCO-QZTJIDSGSA-N 437.610 2.389 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC(=O)N(CCOC)C1 1722632828 JPJCRTLETDHQQA-ZDUSSCGKSA-N 437.342 2.153 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1722659832 DSTALKXGUWMFAW-AVRDEDQJSA-N 429.496 2.366 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 1722701138 HJAJBHYBZDDGPT-UHFFFAOYSA-N 436.482 2.050 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)CC2)s1 1727487262 CJGXKRFWJGXMHR-UHFFFAOYSA-N 438.561 2.047 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1729902212 DAGQDIZSGJLFOM-RTBURBONSA-N 425.537 2.394 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCSC2)c1 1730016246 HBJVVKNWNMZOEE-VQTJNVASSA-N 433.509 2.272 30 10 IEEE C#CCCCn1c(N2CCN(c3cccc(O)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1740596396 DOCAKESBFXETKP-HSZRJFAPSA-N 425.533 2.376 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740639322 UJUBSEWLRHEWOX-DHIUTWEWSA-N 433.556 2.494 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)cc1 1740640855 XVVQQRVNIWCPLY-IBGZPJMESA-N 426.542 2.089 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCC(C)CC2)nc1 1740683632 LXSMYAXIUSBOIQ-UHFFFAOYSA-N 448.575 2.444 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1740791832 RFRZNERNAHLNNG-UHFFFAOYSA-N 425.537 2.235 30 10 IEEE CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1741232915 DUERWWCIWGYJBR-GOSISDBHSA-N 446.577 2.150 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C 1743196594 DHGFXZNFBBKDFX-LPHOPBHVSA-N 433.516 2.380 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)C(F)(F)F 1748404956 KDVVDMXNESNBFG-KXBFYZLASA-N 436.438 2.486 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1748815081 NFSCNOLSCFEFLS-GFCCVEGCSA-N 437.310 2.160 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(Cl)nc1 1748876532 JSZYQWKTUHLHOH-UHFFFAOYSA-N 443.902 2.480 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc3c(c2)OCCCO3)n1 1748970624 MAGDIPCRWVUEDF-UHFFFAOYSA-N 436.516 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCSC)CC1 1749001338 QFKTZVIMXHMFCO-UHFFFAOYSA-N 446.621 2.013 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@H]1C 1749022619 LFAZLYPCJJISJI-HZPDHXFCSA-N 433.603 2.378 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749028575 CBROZENLFSTOLS-RHSMWYFYSA-N 434.949 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)CCS(C)(=O)=O 1749131798 VWXQMVJMHSROFM-KSZLIROESA-N 426.583 2.372 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749239930 PUUAAQMDSAZKJG-LJQANCHMSA-N 434.562 2.382 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749288032 KLWKJPQTWMHXHZ-QGZVFWFLSA-N 431.562 2.392 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)OC 1749327068 IAYFSLPLYJDWOA-NQIIRXRSSA-N 435.532 2.281 30 10 IEEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749390312 CIKWNPRUWABHMJ-VQTJNVASSA-N 436.560 2.323 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1749760060 AOGWFCOJKPPMHR-UHFFFAOYSA-N 448.618 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC=C 1760112282 DKDAPKWRAHBXNA-MRXNPFEDSA-N 430.553 2.153 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(C)COC2)c1 1760128010 UERQJCWVBSSOOD-UHFFFAOYSA-N 430.512 2.357 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1760181975 GAVIPBYEUIELNR-JTSKRJEESA-N 448.589 2.320 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1760258748 RFODAWSUQJJVNV-HSZRJFAPSA-N 436.604 2.366 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1760259871 HZVMGDGISAHZJD-UHFFFAOYSA-N 431.397 2.095 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCCC[C@@H]2CC)CC1 1760273318 OPQKLNAIERWQDC-FQEVSTJZSA-N 430.597 2.045 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760555855 PEZJRYWWKOUBEV-SFHVURJKSA-N 433.582 2.196 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1760662622 GGLGVXDUSUASSJ-UHFFFAOYSA-N 432.532 2.260 30 10 IEEE C[C@H](CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1)c1nccs1 1761385921 POITYRXLALXERB-CHWSQXEVSA-N 449.562 2.098 30 10 IEEE CCc1nnc(N2CC[C@@H](c3ccc(OC)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762964425 QZQZKCFOJITUGW-BFQBXFRASA-N 436.516 2.369 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCC(C)CC1 1763095406 DKSJBTOFBGSBET-UHFFFAOYSA-N 439.612 2.203 30 10 IEEE CC[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1763373807 FHIIMQGCKDMXGS-ZOCZFRKYSA-N 436.557 2.486 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1768759441 JQHDULSKWSXNSW-VGSWGCGISA-N 442.495 2.053 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769281162 JAHKEPANVDZVIW-GOSISDBHSA-N 436.495 2.226 30 10 IEEE COCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1771026140 CQDDHFOBHMMGMA-UHFFFAOYSA-N 449.563 2.315 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2cccc(OC)c2)CC1 1771222909 NXCZIPWAKYUMKD-FXAWDEMLSA-N 441.532 2.471 30 10 IEEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1771237301 VZXQLTKYIGLSDT-JOCHJYFZSA-N 441.536 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852179223 DBXHPVMLQWIWTD-LJQANCHMSA-N 443.548 2.408 30 10 IEEE C=CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 1852639790 SZJSSVRPXJRDEC-CQSZACIVSA-N 433.509 2.375 30 10 IEEE CC(C)N1CCCC[C@@H]1C(=O)N1C(=O)C[C@@H](C)N(S(=O)(=O)CC#N)c2ccccc21 1857467234 BXYHGIOYSWRDMX-VQIMIIECSA-N 432.546 2.261 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)CCC(=O)O)nc1C 1858727672 UOMDOQMFHSYMDM-UHFFFAOYSA-N 448.457 2.010 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1 1862608960 ZUUDXCMVISDNDY-LHSJRXKWSA-N 438.480 2.483 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862630614 XWWIGTVCETZSCM-JEOXALJRSA-N 427.409 2.089 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862745632 NRYDDSKOMUMIKO-SGTLLEGYSA-N 440.408 2.341 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)c1 1870139667 CYLUGLKSYVLPQL-UHFFFAOYSA-N 439.428 2.434 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3cccc(F)c3)cc2C1=O 1870141970 UNMUVQBLTHLMHI-UHFFFAOYSA-N 448.414 2.163 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)C1 1991988203 SIBJDENMSSDVSB-GJZGRUSLSA-N 425.526 2.086 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2010226013 WELUUEPTVRIWNI-IKGGRYGDSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2060634878 FHLIGCXLHSZEAG-BZUAXINKSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224093941 PPYGVORYVGSCOD-DOTOQJQBSA-N 433.358 2.411 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229100142 VVKCYYJDVXGMMI-HOTGVXAUSA-N 425.323 2.385 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)s2)OC1(C)C 2243752210 FIRUQMMAZWCVEB-UHFFFAOYSA-N 437.348 2.323 30 10 IEEE Cc1c(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255628709 LQNMEYGGSIONSW-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255648506 CSIOPHSLHXNAGO-CQSZACIVSA-N 436.362 2.095 30 10 IEEE Cc1c(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822972 QYVKLTMGSIJPQH-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC/C=C/CNC(=O)OC(C)(C)C 2255836558 ATAZVFIAXRUGBD-ZHACJKMWSA-N 434.346 2.013 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)(C1)C2 2258961432 SSMFUIIPUJHXMS-SZPZYZBQSA-N 434.342 2.201 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267005184 KVZVNAIAEAOVEP-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267090781 NQUVDIDOSODXMX-RBUKOAKNSA-N 436.365 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267092396 NISVKOVVMYZETQ-OFQRWUPVSA-N 446.357 2.084 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 2267128669 SSGKUFZDLBNJKD-MRXNPFEDSA-N 448.373 2.235 30 10 IEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267272682 BVJCAOFWIUTPDA-UHFFFAOYSA-N 448.373 2.493 30 10 IEEE Cc1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267600964 OJXMLJMEFYHIQW-IAGOWNOFSA-N 446.353 2.004 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268647114 XJNSUACZGRYLMF-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCCO1 2268701854 RZEFSLQSWOLMIN-NVXWUHKLSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)COC1 2268709153 BNRRLOQLQOEKOT-UHFFFAOYSA-N 444.337 2.122 30 10 IEEE C[C@@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268721315 JNBMGOUHPMAAFF-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 2297747304 OUJQAAQCMDNVCP-HXUWFJFHSA-N 442.468 2.051 30 10 IEEE COc1cc(OC)c(OC)cc1C=Nn1c(C)nnc1SCC(=O)NCc1ccco1 2321134652 FVHMNXCXQROXCK-UHFFFAOYSA-N 445.501 2.496 30 10 IEEE CCOc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 2322614642 KGHGISDDNLOWJT-ZDUSSCGKSA-N 440.909 2.110 30 10 IEEE Cc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328071928 WICIKCZUGGKDLA-GHTZIAJQSA-N 431.492 2.110 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337318017 VMMHBXQNNFYTLA-UHFFFAOYSA-N 448.373 2.229 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H](CCO)COCc1ccccc1 2343488032 AGDQDLMYAXQNRE-FQEVSTJZSA-N 440.349 2.387 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367791631 YJYXZLYZTAMZMS-IRFCIJBXSA-N 434.558 2.101 30 10 IEEE COC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C#N)C1 9446778 RXNKVWHYRPIOAN-UHFFFAOYSA-N 437.474 2.296 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)c1 20293142 LPFGZGURSDAMIT-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@@H](C#N)c4ccc(OC)cc4)CC3)cc2C1=O 49580966 SMSCPSXBMUKFOU-QFIPXVFZSA-N 444.491 2.500 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H]([C@H]2CC=CCC2)[C@@H](C#N)C(=O)N3)CC1 72444770 CEUYQNANZWNWGD-IMJJTQAJSA-N 425.489 2.081 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2sccc2C)[C@@H](C#N)C(=O)N3)CC1 101442566 VLZHNXGRACATEU-ZIAGYGMSSA-N 441.513 2.143 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccc(F)c2)/C1=C(/O)c1ccncc1 103113973 ZWTSGWGUBRXJQX-GOBJLOIFSA-N 425.460 2.365 30 10 IEEE CC(=O)Nc1cccc(NC(=O)COC(=O)CON=C(C)c2ccc3c(c2)OCO3)c1 254853063 CVRQKKYOBRYTPB-UHFFFAOYSA-N 427.413 2.296 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CCc2ncncc2B2OC(C)(C)C(C)(C)O2)C1 396418777 AIXIPAYSJVSZDI-INIZCTEOSA-N 432.374 2.307 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)CCO1 409488617 YAGQSZHXIKYHIT-AEFFLSMTSA-N 437.566 2.231 30 10 IEEE CC(=O)N1CCC(N(CCS(=O)(=O)c2cccc(C#N)c2)Cc2cncs2)CC1 429115623 OQSUKXGZSSQFMC-UHFFFAOYSA-N 432.571 2.302 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(-c2nccn2C)[nH]n1 435717482 NXMMCQXVFWDTPX-UHFFFAOYSA-N 445.277 2.861 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCCN(c4cccnn4)CC3)n2C[C@H]2CCOC2)cc1 461603870 OVMOXTKMROTSCL-LJQANCHMSA-N 430.516 2.360 30 10 IEEE COC(=O)c1cc(Br)cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 462413510 XMKRZKVWVUNKCP-UHFFFAOYSA-N 439.287 2.465 30 10 IEEE Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 477970873 YTQLYRUUABOYKH-HXUWFJFHSA-N 440.525 2.325 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cc1 485095704 VWOLKHFYZWTHRG-DEOSSOPVSA-N 441.528 2.236 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C 514918966 JNLNAWPAJYEFPA-UHFFFAOYSA-N 442.443 2.443 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(CC(C)C)cc2)c(=O)n1-c1ccccc1C#N 532032788 INBYFIQVWSJFPR-UHFFFAOYSA-N 442.544 2.218 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCOC1 533544936 HLNTZFJIPMJBRM-CYBMUJFWSA-N 430.476 2.097 30 10 IEEE COc1ccc(C)cc1C1(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CCOCC1 536974714 SPNRRZKORGFFQV-UHFFFAOYSA-N 439.516 2.456 30 10 IEEE COc1c(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cnc2c1cnn2C 541399163 XUJCXBRSWHERSY-UHFFFAOYSA-N 448.462 2.118 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 542120930 FKIVWVQBPOTNAS-GOSISDBHSA-N 426.477 2.217 30 10 IEEE C[C@H](CCNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 549233805 AOABJGHTOASWBY-CYBMUJFWSA-N 427.935 2.247 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCc3ccc4ccccc4n3)C2=O)cc1 552863364 TZQCEXWWVGMIAJ-QFIPXVFZSA-N 441.491 2.077 30 10 IEEE N#Cc1csc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 579062053 IRBKTTJVCSGANQ-UHFFFAOYSA-N 427.349 2.284 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 611604114 LNKZYRDEFUZBCO-OAHLLOKOSA-N 441.481 2.431 30 10 IEEE C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ncccc2C#N)CC1 619510031 DIYUJVTVUNCKOW-NXTQRVMMSA-N 436.560 2.258 30 10 IEEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C2CC2)c1 729669922 WOHNWWYBVFHJDY-UHFFFAOYSA-N 442.500 2.287 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 729670550 IQWBTKZMDIBAGP-UHFFFAOYSA-N 441.516 2.194 30 10 IEEE Cc1cccc(-n2ncc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2C(F)(F)F)c1 732153374 HGATWGHBWBRCBH-MNDPQUGUSA-N 433.390 2.456 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732696322 COEOVPGIWXEVNQ-KRWDZBQOSA-N 447.561 2.074 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCc1cc2c(cc1Br)OCCO2 741341056 HNGIYKNVUDJRCI-ISLYRVAYSA-N 437.246 2.180 30 10 IEEE CC(C)N1C(=O)CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1(C)C 743114184 MJVGTYGWPCXBOW-PTGBLXJZSA-N 449.577 2.363 30 10 IEEE COc1ccc(CNC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc1C#N 747432450 OBOLRRHLAOQRMI-UHFFFAOYSA-N 427.549 2.091 30 10 IEEE COC(=O)c1sc(NC(=O)COC(=O)Cc2cccc(C#N)c2)c(C(=O)OC)c1C 750431555 XGIYPOZHBFZIGK-UHFFFAOYSA-N 430.438 2.226 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@]1(C)CCCO1 756078874 OHOXFGBILRJJOZ-PGRDOPGGSA-N 448.589 2.264 30 10 IEEE C[C@]1(C(=O)NCC#CC(=O)O)COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757470109 AOWDMSAMASMCJQ-BWKNWUBXSA-N 448.475 2.134 30 10 IEEE Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767675690 KXFWVAQQXSOPHV-CQSZACIVSA-N 425.466 2.441 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cc2cc(Br)ccc2[nH]1 768336214 GUGIMQCDYSXRDR-WUKNDPDISA-N 432.278 2.256 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1ncn(C)n1 768422320 PXXQTBOWDXVLSV-OAHLLOKOSA-N 436.501 2.074 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 774035883 PRRJVNVSYXZXMR-HXUWFJFHSA-N 443.500 2.410 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc3c(O)ncnc3cn2)nc1C 778774683 FJTTXSPRQZIRPY-UHFFFAOYSA-N 426.487 2.481 30 10 IEEE CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1 781399469 KFQPIKVPIDDFRG-UHFFFAOYSA-N 425.510 2.359 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(-n4ccnc4)cs3)c2=O)c1 783954913 HSKFVQDIWFKCIH-UHFFFAOYSA-N 425.498 2.154 30 10 IEEE CCc1nn(C)c(CC)c1C=Nn1c(-c2cnn(C)n2)csc1=NC[C@@H]1CCCO1 789967667 HCXQBCHGZLTOLR-AWEZNQCLSA-N 428.566 2.165 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2ccnn2-c2ccccc2)c1=O 794644090 BCROLWPEFGASEJ-UHFFFAOYSA-N 430.533 2.237 30 10 IEEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)c(F)c1 802554384 BVQGYRLCBOJZTQ-UHFFFAOYSA-N 425.435 2.107 30 10 IEEE CCCCN(C(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 803922168 LXCVYEOZXHNZGB-GOSISDBHSA-N 436.505 2.088 30 10 IEEE C=C(Br)CNC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 806747798 GCKOQZKETSCIDM-GFCCVEGCSA-N 428.283 2.025 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 812178406 AMDHAPHITISAMJ-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE Cc1nn(C)c2ncc(S(=O)(=O)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc12 816199656 GWRKTVLIGLWTEH-UHFFFAOYSA-N 448.464 2.454 30 10 IEEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1 1084096024 MBKUZUMBVIRESG-UHFFFAOYSA-N 428.497 2.374 30 10 IEEE C[Si](C)(C#Cc1ccc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)cc1)c1ccccc1 1088687493 XJVXHEXUZVVTNB-UHFFFAOYSA-N 429.474 2.238 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 1132417927 IQJLFGAQKSDPIR-HNNXBMFYSA-N 441.937 2.038 30 10 IEEE CN1CCCC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 1136303955 NDWXJKZQQXJSMI-GREXYARLSA-N 434.562 2.477 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1139175467 GEFOWJGJPPSIAO-MOPGFXCFSA-N 443.500 2.253 30 10 IEEE Cn1ccnc1[C@@](O)(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F 1142041251 NHYWTIMUENEFGS-UGSOOPFHSA-N 447.458 2.263 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](O)COc3cccc(F)c3)C2)C1 1150090711 SLZGZPIIFYOUOL-GEXQTFPDSA-N 447.507 2.468 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])C1 1154959826 YYRPMFKPTLUNOG-AWEZNQCLSA-N 430.486 2.466 30 10 IEEE C#CCC[C@H](O)CNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1155520514 GEWVQTVDDQUCIS-SFTDATJTSA-N 440.544 2.258 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 1171724002 KDYJFFYVRYKTRH-GOTSBHOMSA-N 432.524 2.291 30 10 IEEE COc1cc(CN2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)ccc1OCc1cccc(C#N)c1 1196198607 OJVMVYINHWAKFF-PMOQBDJRSA-N 442.537 2.390 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1286348866 ARNHAYRGHAHJBG-FXAWDEMLSA-N 443.573 2.148 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CCC1 1286376455 LGAPJAXAOLJYML-KRWDZBQOSA-N 428.558 2.380 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386673 FSJXPUZYLXKNFJ-WMZOPIPTSA-N 431.562 2.028 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286387093 NUSUDUKHKKNUOL-AVRDEDQJSA-N 430.574 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1286430939 QLABDETVBWNWTK-GOSISDBHSA-N 427.549 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1286477173 QIHRBMXWONRGKA-UHFFFAOYSA-N 431.544 2.477 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286686443 GFCPOUMJDLFOLL-ZIAGYGMSSA-N 428.459 2.090 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1286710992 GVMCUZICUTZZBQ-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCCCC2)C1 1286790437 RVPAALFGJSNHQW-SFHVURJKSA-N 429.594 2.001 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1286793321 VVRTYCYHYUPDCJ-MRXNPFEDSA-N 429.546 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286816544 GCVQFDDJLJHBJP-SFHVURJKSA-N 445.589 2.355 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286830496 OKDWMZGCNGCWEO-JKSUJKDBSA-N 447.634 2.488 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1286967286 CSAHTZWFDPDJFD-LLGFUMIMSA-N 431.562 2.074 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1287044008 FNZKIOINESOFIJ-IAGOWNOFSA-N 438.488 2.236 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cccn1 1298801208 HIPCBMMLPMSQRE-OAHLLOKOSA-N 445.325 2.062 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)CC1 1299121309 DTPXTZSODFGOEE-HNNXBMFYSA-N 428.562 2.443 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483998 NOOFPFRUZXUBRY-DLBZAZTESA-N 440.635 2.331 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1300502765 WXNWSSJEPIQZCH-SFHVURJKSA-N 436.603 2.372 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1300598051 ZSFNLYHOSTWCTK-UHFFFAOYSA-N 427.472 2.014 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCN(CC)C2)CC1 1300683278 ZAUFOQXUFWCWJE-NRFANRHFSA-N 449.603 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC(C)(C)COC)CC1 1300719829 RODGJIAZBQXIAR-UHFFFAOYSA-N 441.580 2.097 30 10 IEEE COC1CCN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)CC1 1300785178 CSUNIZBUEJDRGV-KRWDZBQOSA-N 431.585 2.028 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301246819 XOJNKBRVFOSEET-NRFANRHFSA-N 441.624 2.481 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nc(C)no1 1301277899 CAKVIJZNCQFFQQ-UHFFFAOYSA-N 445.549 2.142 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1)C1CC1 1301331094 FIOOTPYIDGJBLE-MRXNPFEDSA-N 430.578 2.145 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)c1C 1304028721 HQZNTDUCDDOTGT-JKSUJKDBSA-N 448.474 2.145 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1304409895 IECRBMZURIMSAR-AUSIDOKSSA-N 442.539 2.454 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1358933240 MSOQIYGRZNPEED-UHFFFAOYSA-N 428.487 2.419 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(F)(F)F)c1 1358949077 SFARRXNGIBYXDZ-HNNXBMFYSA-N 442.463 2.239 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358953029 IGHDWVUBHFQRQS-NRFANRHFSA-N 438.576 2.178 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1358955479 MSCXLBDBFWCISE-IBGZPJMESA-N 438.557 2.262 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358966867 YKJOQDUWCNJERV-QGZVFWFLSA-N 433.603 2.451 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1359302987 AAUWJDGJVQESTR-LJQANCHMSA-N 436.560 2.179 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1359302997 APVOMHYXAAMYTQ-UHFFFAOYSA-N 432.569 2.369 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)nc2)C1 1359312364 SZKSSQLZFDMUHF-KRWDZBQOSA-N 435.488 2.159 30 10 IEEE CC(C)COCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1360070018 CDSQEPJDJOWRGH-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cccc(C#N)c3Br)cn2)C[C@H](C)O1 1435204671 HHDFAFMDDZTKML-STQMWFEESA-N 446.305 2.405 30 10 IEEE CN(CCc1ccc2c(c1)OCO2)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1439292768 GCTHGYOYTWTNEX-SFHVURJKSA-N 434.452 2.193 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1 1444812314 MKERXNJBXQTAAX-WRWLIDTKSA-N 441.484 2.010 30 10 IEEE CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1467838137 ZLFGHTOXTAQLCD-XMMPIXPASA-N 434.496 2.450 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1469876129 BKCHCMXBAOHFQH-MRXNPFEDSA-N 447.536 2.267 30 10 IEEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1471015966 IALSFMOXSBZBPL-UHFFFAOYSA-N 437.562 2.466 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1504016404 HGASGCUJUMHBAY-QHCPKHFHSA-N 438.532 2.071 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507564086 MQRCYVALOWQHIR-PMACEKPBSA-N 442.608 2.155 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1507619147 HOQGSEGCOFMULP-UHFFFAOYSA-N 431.953 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507631345 ORHOBOKUOAOKKE-SFHVURJKSA-N 431.562 2.107 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1507632726 AHDIBNUCYUYRLS-MSOLQXFVSA-N 444.605 2.268 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1507633124 BJAUEALJLGIQBW-SFHVURJKSA-N 433.603 2.032 30 10 IEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1S(C)(=O)=O 1507695052 UACZUPOSSLDHPN-LJQANCHMSA-N 440.573 2.165 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CC1 1507726391 IGZGPLDRWBJCFK-UHFFFAOYSA-N 427.512 2.236 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[C@@H](O)C2)CC1 1507732983 WABKRVIGGOMACC-RBUKOAKNSA-N 427.524 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1507739011 KOPWGKRMUSVAFH-SELNLUPBSA-N 429.565 2.096 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1507988149 PZOLXJZQCYLLRV-NRFANRHFSA-N 438.594 2.441 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(COC)CC1 1508079452 WFWUHQQRBHIPEV-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1509866285 ZWPAJUMRFQZLJH-QFIPXVFZSA-N 426.521 2.246 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1513527381 FAZKKLMUCDAESZ-HSZRJFAPSA-N 441.532 2.276 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1516836088 GRDAFYHZBQTVLR-UHFFFAOYSA-N 448.568 2.467 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCOC1 1517042731 NWCSOHFXNJHPQC-OALUTQOASA-N 446.502 2.398 30 10 IEEE C#CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 1523339653 JXFFBDWKYCEFTP-UHFFFAOYSA-N 427.526 2.277 30 10 IEEE COCCCN(C(=O)c1cc(C#N)ccc1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1523795897 GKWVILJIOYGOGD-UHFFFAOYSA-N 447.495 2.443 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1524968061 XCZBGSQEJNCXOM-UHFFFAOYSA-N 447.377 2.410 30 10 IEEE COc1cc(/C=C2\SC(=O)N(CCNC(=O)[C@H](C)CC#N)C2=O)cc(OC)c1OC 1532471543 DMVYWKREHKEATO-COOUDCDJSA-N 433.486 2.415 30 10 IEEE CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1535353575 VJHXRKSIMQVVKM-UHFFFAOYSA-N 440.241 2.212 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](c4nccs4)C3)CC2)cc1 1536853517 YXETWMXAKFRLDP-KRWDZBQOSA-N 430.555 2.432 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCCS(=O)(=O)c1ccccc1 1539264307 ZIAUHCZDTMPUOI-HXUWFJFHSA-N 426.542 2.457 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1539499130 FFKCDCSZRNPJLT-SFHVURJKSA-N 440.529 2.421 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539505977 OMESFIDDHGXJDP-UHFFFAOYSA-N 447.568 2.132 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1539968152 XDGVQCLQFXCZED-QZTJIDSGSA-N 437.610 2.422 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539976864 GJIVSTNWVHBWRP-JOCHJYFZSA-N 425.537 2.193 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1540080409 JCSQUMDXGOTHRR-UHFFFAOYSA-N 432.576 2.471 30 10 IEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1540855136 CJHHSTNFNZGGFH-UHFFFAOYSA-N 428.356 2.187 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540880572 KNWGVDGQYIPVOB-XLIONFOSSA-N 425.533 2.452 30 10 IEEE CCc1nnc(N2CCC[C@@H]2c2ccc(COC)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1546510915 PMLSGDLGCSFBKZ-MODMUFLJSA-N 440.504 2.448 30 10 IEEE Cn1cc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@]3(CO)C2)cn1 1548365791 SORCBTUSFJXYHH-OXJNMPFZSA-N 433.434 2.272 30 10 IEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)N(C)C)n(C)n1 1548375102 BZUZXXHWBZACFJ-SFHVURJKSA-N 448.449 2.038 30 10 IEEE COC[C@@H](F)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555276618 QNUBBKZVXZQJKP-GOEBONIOSA-N 434.466 2.308 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cc(C)ccc1OC 1555668235 HJHCHCMWJURSQD-PKOBYXMFSA-N 429.521 2.291 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)s1 1556486940 DIWPPLQQBKLAQY-CQSZACIVSA-N 439.534 2.359 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC 1557386976 OUUWRKGQSLETKO-DEOSSOPVSA-N 439.512 2.179 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 1557438304 QDSPGDYOPYTWRS-CRAIPNDOSA-N 435.509 2.184 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)c2ncccc2C1 1558061967 IICGUFZUEMUFPE-SFHVURJKSA-N 441.557 2.158 30 10 IEEE C=CCOc1cccnc1C(=O)N1CCC[C@H](n2nncc2I)C1 1558103113 IEUHFCLLFXNXJY-LBPRGKRZSA-N 439.257 2.320 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC(C)(C)Cc2ccc(C#N)cc2)[C@H](C)O)cc1 1558454194 FXJFIJLYEMRECT-JXFKEZNVSA-N 429.542 2.032 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(S(=O)(=O)c4cc(Cl)cnc4N)CC3)n[nH]2)cc1 1561726425 FFTIGBAUOMMVSO-UHFFFAOYSA-N 443.920 2.090 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1565373648 WSFLSOPGWSRHOM-SJLPKXTDSA-N 428.537 2.288 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](C(=O)OCC)(C(C)C)C2)s1 1568162833 KSQZSFSPTXVGIQ-IBGZPJMESA-N 428.576 2.193 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)COC)CC1 1587818059 PDBKLDRAYGQJCY-UHFFFAOYSA-N 433.516 2.044 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCSC1 1588140119 UCMXJIGMFYNHPY-ZWKOTPCHSA-N 445.589 2.412 30 10 IEEE C#CCSCCn1c(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1589125406 KINGDJMAYUJYEL-QUCCMNQESA-N 446.665 2.321 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 1594830551 YVEFEEISLLNJQV-UHFFFAOYSA-N 438.576 2.141 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NC(C)C 1595275582 HFFKWHOAXKAWIK-UHFFFAOYSA-N 425.331 2.199 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccccc1OC 1595466048 DBIYNGNVVJOVOR-GOSISDBHSA-N 438.532 2.166 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1595705847 FQCVXKSNBAHLCB-RTBURBONSA-N 448.518 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@@H]1C 1595766032 KOWZSBDMQGSYEK-AWEZNQCLSA-N 442.488 2.372 30 10 IEEE Cc1cc(C)n(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c(=O)n1 1596612090 SOWGQYXHKXBEHF-LYBHJNIJSA-N 445.545 2.092 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1596751158 DWJXKIMXLHSLIA-LJQANCHMSA-N 426.521 2.118 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(C)c3I)cc2C1=O 1611146109 YQZZVTLUMWBOEL-UHFFFAOYSA-N 436.209 2.059 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1615047733 GTJSWUMUSTYOJF-UHFFFAOYSA-N 432.550 2.357 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615902584 BHHXUUCAQYJZRA-AWEZNQCLSA-N 425.537 2.489 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1618031270 GANQAERVDFZOTP-SFHVURJKSA-N 426.502 2.408 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1618142804 NPWKBLGAHCKBKQ-UHFFFAOYSA-N 448.474 2.033 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1622469238 UECURQGWWSMFJJ-NRFANRHFSA-N 443.569 2.090 30 10 IEEE COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624061880 GMOOMOBHPDPNOR-VQTJNVASSA-N 425.510 2.203 30 10 IEEE CN1CCN(c2ccc(CNC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1 1624952697 NQIOJQXVQJOROJ-UHFFFAOYSA-N 441.576 2.100 30 10 IEEE C[C@]1(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCS(=O)(=O)N1 1627107895 HUCKQLRNGYTOLY-OYNCUSHFSA-N 444.344 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 1629139140 GYLMTWBXLZYFMZ-UHFFFAOYSA-N 446.523 2.498 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 1632880257 KMGQKDDPUSDRLH-SDXDJHTJSA-N 446.389 2.495 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@]34C[C@H]3CCCN4C(=O)OC(C)(C)C)CC2)c1C#N 1633056440 WUTWHKGXWGLYOK-ZHRRBRCNSA-N 428.537 2.038 30 10 IEEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1F 1635796167 GFAMYLLTPQKPMG-MMPTUQATSA-N 430.299 2.229 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Oc2ccc(F)cc2)C1 1637415782 IAMGOKVIZCMTJJ-KRWDZBQOSA-N 431.489 2.324 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)c2c[nH]c3cccc(C#N)c23)ccc1OC 1639917467 WBVDEWOXJXLPDU-UHFFFAOYSA-N 428.470 2.225 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2cc(Cl)nnc2C1 1643627541 NFSQUAWZPKRGRA-OAHLLOKOSA-N 447.948 2.312 30 10 IEEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1648862937 WAKAFOOJMRFEEG-QMMMGPOBSA-N 442.295 2.106 30 10 IEEE C#Cc1cccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)c1 1651074926 LGJGFSGMYFJETQ-UHFFFAOYSA-N 435.505 2.480 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](O)COc1ccc(I)cc1 1672906763 WQEWZNSZPXDRBO-IMJJTQAJSA-N 446.285 2.064 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1676367396 HWBPANMGOOLIPU-GUDVDZBRSA-N 430.505 2.275 30 10 IEEE C#CCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1676466610 QKJZLFQMVKNZDV-NRFANRHFSA-N 449.640 2.303 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1682228220 ZYALYSUKCKBFJB-FQEVSTJZSA-N 448.479 2.050 30 10 IEEE C=C(C)CONC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682405580 ZZIKFWVMOQUBKV-SJORKVTESA-N 437.541 2.071 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)C1 1684083789 YGDKNIWRKUEXEI-FQEVSTJZSA-N 427.593 2.410 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN(C(=O)NCC3(C#N)CCOCC3)CC2)CO1 1685741454 SFDDIVYWWWNGSW-KRWDZBQOSA-N 436.553 2.412 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1686404592 PAPWHCMFVNIZDF-CABCVRRESA-N 446.367 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1689862826 HEHNDOANAWXKFA-VQIMIIECSA-N 427.530 2.154 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1689892265 BHOUSGAITBWUHP-MJGOQNOKSA-N 447.561 2.001 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1690011790 CYXIZCNDSIMPPC-SFHVURJKSA-N 427.512 2.385 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC(C)(C)COC)CC1 1690132821 XRRTZJCIFHDNPK-UHFFFAOYSA-N 427.597 2.348 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCc2ccn(C)n2)CC1 1690133332 CARJKMPWOPBHGD-UHFFFAOYSA-N 433.560 2.151 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1690166154 WMSUMMAHWQILDP-MRXNPFEDSA-N 443.573 2.291 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690177534 YOEACUPZESQQLK-WBVHZDCISA-N 445.539 2.476 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1690321655 IDBRLRJPROVKOH-QZTJIDSGSA-N 445.589 2.485 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690490146 QFMCVJYFKYPKSE-UHFFFAOYSA-N 443.640 2.362 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 1690671890 BHWFNFSLRPQOGI-IRXDYDNUSA-N 448.568 2.125 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2COCCO2)C1 1690687532 CYPOUXKCESFYIL-XLIONFOSSA-N 430.505 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1690687702 HRKNCBOSNLFKAT-UZUQRXQVSA-N 441.532 2.222 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705526373 JEHXMHMRMXCBKF-HNNXBMFYSA-N 427.505 2.051 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1705611400 BJXVBIATJIAJFF-WJOKGBTCSA-N 440.573 2.293 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C 1706754149 RUFXDRIIKROEQV-HNNXBMFYSA-N 441.536 2.432 30 10 IEEE Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)s1 1707777293 OQDORBXYWGAYBO-CYBMUJFWSA-N 432.531 2.095 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710295223 DKZKOFIRIRUKDS-MBSDFSHPSA-N 440.571 2.364 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCC1(F)CCC1 1711237692 YRGOTVKJKOGHLK-UHFFFAOYSA-N 435.525 2.492 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722296905 BUBGMBLQAKDBLL-IRXDYDNUSA-N 440.573 2.090 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722340548 BZAZWKPJKXXRQD-HSZRJFAPSA-N 442.564 2.351 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722363958 DDGSAVCWQMSKCO-INIZCTEOSA-N 441.479 2.233 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCCC)CC1 1722444600 CFOJVIFEYREJOH-UHFFFAOYSA-N 442.951 2.091 30 10 IEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1)c1ccccc1 1722541021 ITIPWUNYFIYSBT-VQTJNVASSA-N 446.573 2.135 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C)C1=O 1722652514 HOIKURQDPZZMAF-QHCPKHFHSA-N 440.548 2.096 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1722661324 ASHQXAYEKRTXLO-OAHLLOKOSA-N 449.606 2.233 30 10 IEEE C=CCSCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1722740669 YMSZYNCGLODSGF-PKOBYXMFSA-N 434.654 2.484 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cn1 1722807452 DXRPAVUDEPEADF-QRWLVFNGSA-N 431.500 2.426 30 10 IEEE CC(C)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1723521721 HWEWPVCEHMIEAV-FQEVSTJZSA-N 438.580 2.106 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1724018263 QDCJDNZTURJWBG-HRAATJIYSA-N 430.459 2.353 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCC(C)(C)O 1724091439 FVOLBANGERLQNZ-CQSZACIVSA-N 433.582 2.446 30 10 IEEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1727238434 GSOBCYUXIIBDCT-VLIAUNLRSA-N 437.520 2.162 30 10 IEEE CCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1727909359 DRNVYPSXUYBXIP-YADHBBJMSA-N 442.543 2.445 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1729492375 HKWTZHWWFQEXPE-BMRADRMJSA-N 437.426 2.199 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1729764723 FRTCOUOQTXYGKG-NOVUIFNWSA-N 427.530 2.117 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1731090879 HCSIWSLGPLUEAL-KRWDZBQOSA-N 436.545 2.302 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1740532896 MPBSNYKZFNZDEM-OLZOCXBDSA-N 445.467 2.293 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1740549123 KZFZSDWGMFAAJW-HOTGVXAUSA-N 431.487 2.100 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1740560799 PSOLPPXTJZLBSA-QGZVFWFLSA-N 430.574 2.355 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740624129 FZPYLOOOLRRMMQ-FQEVSTJZSA-N 444.605 2.233 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740624830 BCNHSWSGKZYQDK-UXHICEINSA-N 428.558 2.042 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1oc2ccccc2c1OC 1740678267 HJJNTYFOJDDHLC-UHFFFAOYSA-N 425.489 2.305 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(N(C)C)nc2)CC1 1740699249 ZJKOAMAFJMYSKH-UHFFFAOYSA-N 429.572 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2cccc(C)n2)CC1 1740704793 UECGELMACOHFBN-UHFFFAOYSA-N 444.543 2.037 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)C1 1740980885 RXLAGWPMWKMOTD-GJZGRUSLSA-N 447.337 2.216 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CCCO 1741127509 CZEBDVSCBJVLSN-IEBWSBKVSA-N 440.548 2.159 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1743757704 SNWJUQCURUNSHD-JBACZVJFSA-N 429.613 2.205 30 10 IEEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1747354572 TXVUAYZPFDMYRN-UHFFFAOYSA-N 446.577 2.362 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749118609 HHRHRZLDGXPFBD-MSOLQXFVSA-N 425.599 2.148 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1749487590 FIMAZWUPOFBKKZ-CVEARBPZSA-N 439.582 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(C)on1 1749651990 FCSHYBVEGXMZLV-UHFFFAOYSA-N 434.298 2.271 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1749672502 WDIZXRBEOSJCJS-SFHVURJKSA-N 430.597 2.254 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)C[C@H](C)C2)C1 1749710389 WSCLCINUHHWHLQ-HAGHYFMRSA-N 430.597 2.379 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)C1 1750380457 ROGZWUUGTOITIU-XMSQKQJNSA-N 426.496 2.321 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1760115667 BIYJXNSCVQIFPK-NLWGTHIKSA-N 429.590 2.159 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760156170 XJYZWICCXHDZSK-UHFFFAOYSA-N 432.488 2.307 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184842 MQDKDRCLYBCZKG-IBGZPJMESA-N 443.573 2.174 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1760187294 CNUZMRPSRGGYGS-ROUUACIJSA-N 431.587 2.253 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccccc2Cl)CC1 1760260523 WCANUHBTTPFDTC-UHFFFAOYSA-N 425.924 2.166 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1760335242 VMAUDTPEZMYJQW-HSZRJFAPSA-N 435.532 2.073 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1760481344 UEDNYRPIFMXWGE-UHFFFAOYSA-N 433.516 2.177 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1760495917 ZVIDGAZHAQRLAQ-XBBWARJSSA-N 448.614 2.285 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)c1C 1761591591 PFOYXKQJDGGDAK-WOJBJXKFSA-N 442.564 2.342 30 10 IEEE C[C@H]1C[C@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1762715059 NLVFHOGJCREXBT-IRXDYDNUSA-N 431.562 2.360 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1763422612 FBDXXSNXUHCQKK-HOIFWPIMSA-N 429.521 2.392 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1770329121 CZHNBEHCIWUGRX-FQEVSTJZSA-N 433.509 2.220 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1771246622 LPWHWHGLTYXCCJ-LJQANCHMSA-N 429.521 2.131 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(CC)c1 1772660020 XKQOFWKUYDBLKX-UHFFFAOYSA-N 449.968 2.447 30 10 IEEE COc1cccc(-n2nnc(C(=O)NCC3CCN(c4ncccc4C#N)CC3)c2C)c1 1850898459 IWLIAOGGPKYLDQ-UHFFFAOYSA-N 431.500 2.497 30 10 IEEE N#Cc1ccc(C(=O)N(CCCN2CCCC2=O)S(=O)(=O)c2ccc(Cl)cc2)nc1 1851446332 GMBHUURTRYPXDC-UHFFFAOYSA-N 446.916 2.450 30 10 IEEE N#CCC1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)CC1 1851835320 LCCDMFYOZQVVNN-UHFFFAOYSA-N 437.283 2.436 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1 1852069527 MHSILMKAYCSWFE-UHFFFAOYSA-N 429.590 2.334 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)cnc21 1852150398 BCPXJXNTTQANRT-UHFFFAOYSA-N 449.536 2.399 30 10 IEEE CCCN1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1852443272 FAHOJTHKLFVJIF-QFIPXVFZSA-N 440.569 2.002 30 10 IEEE N#CCC(=O)NCCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 1852617780 QSPOPOLQRNJRSA-OAQYLSRUSA-N 430.464 2.308 30 10 IEEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCN(C)C1=O 1852784461 KNULSYNERJKKCE-FQEVSTJZSA-N 445.516 2.316 30 10 IEEE Cc1nc(S(=O)(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c(Br)n1C 2189208053 YJNDZEQQUOQWDQ-UHFFFAOYSA-N 446.176 2.443 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630649 NCUYVDKYTJHQCM-KBPBESRZSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2255703725 XBTISAJBRKAYCK-CQSZACIVSA-N 431.298 2.164 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255815487 OIIKIIJNHXYVGA-AAEUAGOBSA-N 430.232 2.108 30 10 IEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C#CCNC(=O)OC(C)(C)C 2256623260 QDKMIYDZZZBAIZ-CQSZACIVSA-N 449.382 2.490 30 10 IEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)oc1B1OC(C)(C)C(C)(C)O1 2267137549 NZIITQIWBLWSBV-HNNXBMFYSA-N 445.325 2.472 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 2267151086 XHHNQKSSVJHXKS-CQSZACIVSA-N 448.373 2.187 30 10 IEEE CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267260499 OKQUQFFJUHKOSC-SFHVURJKSA-N 441.385 2.001 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1 2267504031 MIRUBZFBZHBFKQ-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)o2)OC1(C)C 2267556744 YNRSCVFUYCZKES-XMMPIXPASA-N 440.349 2.336 30 10 IEEE COC(=O)[C@@H](CC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2303167298 MWFPRMFVOBWPCH-ZIAGYGMSSA-N 426.319 2.138 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc2c(c1)OCCO2 2331569495 HXOHFRRBBPCHDZ-UHFFFAOYSA-N 446.514 2.265 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[nH]1 2337025723 LQDDLCWKPGUDKI-HSZRJFAPSA-N 447.385 2.285 30 10 IEEE CC#CCN(C[C@@H](N)c1c(Br)cnn1CCN(C)C)C(=O)OC(C)(C)C 2337911367 FDMVKQHRHPGBAM-OAHLLOKOSA-N 428.375 2.467 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)n1 2342559801 GHCTUGLKKARWMV-OAHLLOKOSA-N 434.165 2.430 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nnc1-c1ccncc1 10492361 HGCGZOHNSQOUSW-SFHVURJKSA-N 430.578 2.091 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(NS(C)(=O)=O)CC2)n(-c2ccc(F)cc2)c1C 12513789 BKFJVKMQEVQNBR-UHFFFAOYSA-N 447.536 2.057 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N 21319828 KTVOGAXKOCMMLW-OFJBCHTGSA-N 425.518 2.416 30 10 IEEE CCOc1c(Br)cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)O)S2)cc1OC 27551960 WPMJTOORCCIACI-MIUNIBSDSA-N 430.280 2.253 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC)c(O)c1 170321700 FXSTWLCLZRDHBP-IBGZPJMESA-N 427.409 2.354 30 10 IEEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc3c(c2)OCO3)cc1 254740969 PXFVBHGQEHITAO-YJBOKZPZSA-N 446.506 2.339 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 409725378 HDSZKTBRBMZXBN-GDBMZVCRSA-N 443.529 2.402 30 10 IEEE N#Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)CCN4C(=O)CNC4=O)cc3)CC2)cc1 436078807 YQOQNMWLWOSVLY-UHFFFAOYSA-N 431.452 2.109 30 10 IEEE CCO[C@H]1C[C@](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)(C(=O)OC)C1(C)C 440850546 SYCQBWFYNLYTDB-UWJYYQICSA-N 436.530 2.241 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 441382078 JTYVBRVZNGZFPV-GFCCVEGCSA-N 425.869 2.213 30 10 IEEE COCCN(CC(=O)Nc1ccnn1C1CCCC1)S(=O)(=O)c1ccc(C#N)cc1 443404664 HHGBMQMDAPRARC-UHFFFAOYSA-N 431.518 2.146 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cn1 462080383 LNSBRCBYGINVIO-HXUWFJFHSA-N 429.484 2.494 30 10 IEEE C[C@@H](CCOc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 465024728 SZAVWVMUVVAGFW-SFHVURJKSA-N 427.526 2.496 30 10 IEEE COc1ccc(CN2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1 467238473 NPLCLFNXIIQGLP-UHFFFAOYSA-N 427.526 2.075 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](COc3ccccc3)C2)CC1 484554381 FDMRKAFFFURJIF-RTWAWAEBSA-N 440.569 2.237 30 10 IEEE COc1cccc([C@H]2CN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CCO2)c1 484814275 OUFWMVGBZGTSKY-LJQANCHMSA-N 429.498 2.019 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265421 QOZZYSGZBIZTNB-UWJYYQICSA-N 439.560 2.241 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)CC1 503646484 XZJLTLCUSZZCIM-IBGZPJMESA-N 428.492 2.195 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CCC(C)(C#N)CC3)cc2)CC1 508513774 TUJPVYJFKZKPKR-UHFFFAOYSA-N 441.576 2.107 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OCC)c1=O 523476555 VZEOHIUOVUZDKY-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CC2(N3CCOCC3)CCCC2)cc1 531295190 HRMKYISSEOCECJ-LJQANCHMSA-N 428.558 2.433 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(-c2ccnc(N3CCOCC3)c2)no1 546414596 RXZNGNGRNQJALD-UHFFFAOYSA-N 430.472 2.285 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 575495713 YUYVDNDWUPQNRH-UHFFFAOYSA-N 436.424 2.409 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ncc(C)s3)cc2C1=O 583221988 RAEVOLOBGVSTFW-OAHLLOKOSA-N 442.522 2.387 30 10 IEEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 604196589 UOISPZPGXNNKGB-UHFFFAOYSA-N 441.557 2.094 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 610208352 FBAFHTLITVQWOP-CQSZACIVSA-N 433.461 2.124 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(-c2nc(Cc3ccc4c(c3)OCCO4)no2)cc1 612893475 ANHUTTNEOFQRSF-UHFFFAOYSA-N 426.454 2.291 30 10 IEEE N#CCN1CCC(NC(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CC1 619538881 UIHJLADZOHNESD-UHFFFAOYSA-N 428.518 2.133 30 10 IEEE CCOCCCn1c(NN=C(C)c2ccc(S(N)(=O)=O)cc2)nc2ccccc2c1=O 725844627 XSETVHKIWNKRGU-UHFFFAOYSA-N 443.529 2.307 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(Cl)nc(N(C)C)c2)c1 733099268 DGESINCEWTWAEC-UHFFFAOYSA-N 426.904 2.288 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nnn(-c2cccc3cnccc23)c1C 734291523 SVALLOAGCBODLQ-UHFFFAOYSA-N 432.465 2.423 30 10 IEEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCO1 741245017 CXHJKIAMYJAATG-OAQYLSRUSA-N 436.512 2.430 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1(c2ccc(Br)cc2)CCOCC1 746156151 ZKAWJEHTCSEGFW-HNENSFHCSA-N 448.317 2.488 30 10 IEEE C=C(C)COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)ccc1OC 747081244 XMOQEKJAABKOGH-GOSISDBHSA-N 437.521 2.079 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CCN1C1CC1 760224720 QMXCKHRWDLWHPF-AWEZNQCLSA-N 428.290 2.135 30 10 IEEE CN(CC(F)(F)F)C(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768667122 ZQSOCOIDNAEKBK-UHFFFAOYSA-N 445.238 2.091 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 771638999 SAJDOBSBRNCGQP-VBKZILBWSA-N 431.489 2.089 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 774090998 AFQCLDVAJMFYDI-GOSISDBHSA-N 427.482 2.330 30 10 IEEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC[C@H]1COc2ccccc2O1 780174944 FRAZVGRMNZDYAB-AYSMAOOMSA-N 432.473 2.136 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 780522907 LQKYAGMWKLIRBC-GOSISDBHSA-N 440.544 2.469 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCSC2)c1 790284413 DGPMQJQABDTNLV-PKOBYXMFSA-N 444.626 2.420 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1C[C@H]1C1CC1 797424991 GAESVJPJXLAVAB-WDYCEAGBSA-N 430.574 2.493 30 10 IEEE C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)C1=O 799143303 IAZNGINBWPIRES-BWKNWUBXSA-N 432.524 2.353 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)cc1F 807933134 SGDOMHPEVLNIDA-IBGZPJMESA-N 448.564 2.480 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(C)cc2)CC1 812177881 SCCBTZQLYLPXPM-SFHVURJKSA-N 432.594 2.490 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)[C@H](C)Oc3ccccc3C#N)CC2)C1 919076687 CDJXKALNCZVXQM-ROUUACIJSA-N 441.528 2.366 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)C1=O 1131766224 GJCMTEMLIIINKY-UHFFFAOYSA-N 439.827 2.350 30 10 IEEE C=CC1(CC(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)CN(C(=O)OC(C)(C)C)C1 1143832013 LXBIFHVZAFQKAL-UHFFFAOYSA-N 448.495 2.183 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1160146468 PSYRYXSEPMDVTE-KRWDZBQOSA-N 432.929 2.201 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1 1168364181 FAFZSTJDYPQCLX-UHFFFAOYSA-N 435.503 2.393 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2-c2ccn(C)n2)c1 1169184272 RXTILVSXCAMYRL-UHFFFAOYSA-N 436.497 2.476 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@H](C#N)C2)CCN(Cc2ccccc2)CC1 1181304660 MLUYYTWHVVOJEY-IBGZPJMESA-N 428.533 2.297 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 1189039333 AEVCYIPORRAFBH-BBRMVZONSA-N 438.506 2.211 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)[C@H]1CCCO1 1226724592 LJKQLCZMSMGZJI-VQTJNVASSA-N 433.574 2.181 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccnc1C 1286284527 DRYYPUUOOVXZDU-OAHLLOKOSA-N 438.561 2.037 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286324195 PQRGCJINHHFIFD-LJQANCHMSA-N 426.565 2.262 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)CC 1286367219 HRSZKQMIMDHURH-UHFFFAOYSA-N 429.315 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccc(OC)cc1 1286416096 VBQPLJZCRZRYGI-IBGZPJMESA-N 435.528 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cnnn1 1286514468 GVEUJLGMPIQHNN-JOCHJYFZSA-N 433.520 2.216 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1287666657 HLAKUEWBRMFOFS-SFHVURJKSA-N 440.548 2.458 30 10 IEEE Cn1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c(I)n1 1292822696 XQJKYVMQUNNDRC-UHFFFAOYSA-N 438.225 2.356 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1296168088 PKTLXZPFNVQQND-JSGCOSHPSA-N 434.497 2.256 30 10 IEEE COC(=O)N1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1299425335 ASLZRVJMTQMAIA-NRFANRHFSA-N 427.484 2.184 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)c1ccccc1 1300541270 PFGWDFLUZLAYOF-UHFFFAOYSA-N 439.566 2.181 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(COC(C)(C)C)on1 1300554010 XFJRLXOTUHCYKZ-PXNSSMCTSA-N 441.532 2.426 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC=CCO2)CC1 1300684889 CBZUZUIVGDJZAT-QGZVFWFLSA-N 445.365 2.146 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1300778128 NDVJUAZJICDDKN-RHSMWYFYSA-N 434.484 2.064 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1301069958 IRSLRIUKJJRJPS-OAQYLSRUSA-N 438.594 2.444 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301143769 RBHGHXQXOVLMBN-LJQANCHMSA-N 436.560 2.257 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301228908 ACAANPUPUGGZLI-FQEVSTJZSA-N 430.534 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CCOC1 1301587079 QUEXIPAMUGQIER-SFHVURJKSA-N 429.546 2.107 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1301955833 ADMUPVMGJUXAPU-AEGPPILISA-N 437.342 2.182 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(Nc4cccnn4)CC3)n2CCOCCCO)c1 1302988374 ZRYZOGSBXQQDNZ-UHFFFAOYSA-N 448.531 2.087 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1303334797 LKZBTOAYINAHON-FQEVSTJZSA-N 436.516 2.133 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1303636239 MKEOQHHPVIHRAR-OAHLLOKOSA-N 443.533 2.278 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCOC2)C1 1303937800 UOYUKSADRJZGHW-GCJKJVERSA-N 430.553 2.087 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1)C(=O)OC 1306834345 DNVTULNQOVHGGV-NRFANRHFSA-N 435.480 2.496 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C2 1312587450 WHGFQMVFDWXCBT-UHFFFAOYSA-N 434.468 2.077 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COCCO1 1314219145 CBGYSVZNRQYGBF-IERDGZPVSA-N 431.468 2.113 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1316176519 SULSBVOGQMTHAS-FXAWDEMLSA-N 432.569 2.391 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)c2ccccc2)C1 1316529660 BHTJLUNOPJHHSX-YLJYHZDGSA-N 433.509 2.436 30 10 IEEE C[C@]1(c2cccc(CNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2)NC(=O)NC1=O 1324965027 BXHLKNJJCGIPLP-XMMPIXPASA-N 447.495 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H]2CCOC2)C1 1340088724 JFSGVQXOJWPCES-DLBZAZTESA-N 436.516 2.010 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1358929493 BDBIGUBNYOBTNT-KRWDZBQOSA-N 425.537 2.465 30 10 IEEE C#CCCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358935362 FWBNSWICQGOTCN-OAQYLSRUSA-N 438.594 2.136 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1359001329 QPOWONZLWTZCQV-INIZCTEOSA-N 429.496 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCOCC(F)(F)C(F)F)CC1 1359044973 SYATZGUIOROLLC-UHFFFAOYSA-N 431.434 2.038 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)CCOC 1359073212 HCTIHHYLRVRJND-NHCUHLMSSA-N 431.562 2.049 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359127944 FHDBZAILDMEAES-OXQOHEQNSA-N 441.532 2.270 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359128529 WXDGEADSMSRZNT-UHFFFAOYSA-N 431.500 2.066 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1359254726 BBMQJEMJUPPQPF-JOCHJYFZSA-N 446.573 2.296 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCNS(C)(=O)=O 1359260022 PWUPNHQOAOUSBX-UHFFFAOYSA-N 430.509 2.221 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1359272494 UMLJGPAKXZCPTJ-QZTJIDSGSA-N 430.578 2.441 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359293944 FKMJGHRFABHMMF-ZWKOTPCHSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](COC)C1 1359328509 GHCFZAUQZYNWQN-INIZCTEOSA-N 449.533 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359333920 OAKPPDBAOYMETN-KRWDZBQOSA-N 446.602 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335875 XLUNPPHWMDIMRC-ABSDTBQOSA-N 426.583 2.012 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359340796 AAEHGYNRENFIOG-QGZVFWFLSA-N 426.550 2.065 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)c1cccs1 1360680488 CNJZTDPZCRVEQP-SCLBCKFNSA-N 440.570 2.370 30 10 IEEE C#CCN(C(=O)CN1CCCCC(=O)C1=O)[C@H]1CCOc2ccc(Br)cc21 1435174025 CKIKAHWPEOQHQP-INIZCTEOSA-N 433.302 2.316 30 10 IEEE C#CC[C@]1(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1436762635 ZIUQHMHGZRKODL-BJKOFHAPSA-N 425.529 2.435 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)s1 1451734978 AIGFAHFKNHBALX-MRXNPFEDSA-N 439.946 2.123 30 10 IEEE COC(=O)c1ccc([C@H]2CCCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n1C 1472379101 WYFDZLQBZQVLKX-LJQANCHMSA-N 443.525 2.352 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)nc([C@@H]4CCCO4)n3)CC2)cc1 1472651801 ISKQMZCKEOGWNR-INIZCTEOSA-N 433.921 2.364 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1475797336 JKTTWNIWLQMZJQ-IRXDYDNUSA-N 435.546 2.088 30 10 IEEE CCc1nc(C)c(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)o1 1498263128 SACUZPVUOGQWGD-SJLPKXTDSA-N 443.552 2.086 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCN1CCOC(C)(C)C1 1503461714 GDHIJRPUNPTBNT-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNc2ncc(Cl)cc2Cl)cn1 1503652644 FHRBKEVBKKGSIA-AWEZNQCLSA-N 448.318 2.221 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1504488638 CLLJGOZJPBPLEI-UXHICEINSA-N 427.505 2.149 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1504610673 DKQADSOWKNUCIX-DLBZAZTESA-N 431.468 2.103 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507593482 QAVXRKSXYVQTIG-UHFFFAOYSA-N 447.587 2.341 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCOCC2CCOCC2)CC1 1507733743 KPUBSJMJXYFQDM-UHFFFAOYSA-N 445.608 2.375 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1507753245 DIJRCOAALVTUMM-IAGOWNOFSA-N 441.557 2.262 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCNS(=O)(=O)CC)CC1 1507891487 AWTSLZBRZHUVRW-UHFFFAOYSA-N 437.541 2.482 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NCC)CC1 1507942207 MYHKTGRGWVNKGO-UHFFFAOYSA-N 446.577 2.166 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CC1(O)CCOCC1 1507998116 KYBZJGRTZAHISF-UHFFFAOYSA-N 438.532 2.421 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1508160106 SKFMOLBJZJWXER-OAHLLOKOSA-N 433.607 2.240 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1521154486 BUOPJGPTXGOIRS-GOSISDBHSA-N 435.594 2.396 30 10 IEEE C=CC(C)(C)C(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1528436725 IZHAQZOPZRSALU-UHFFFAOYSA-N 439.353 2.325 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1Cc1ccc(Cl)s1 1537062464 AVDJXTZAFGXHPF-UHFFFAOYSA-N 435.918 2.324 30 10 IEEE CC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538539249 AWLIKIASFDKWDV-MPGHIAIKSA-N 425.348 2.415 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1539346981 NKYZBXWJJNGMGO-UHFFFAOYSA-N 446.349 2.449 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)COCC)CC1 1539459662 MRHMJBDITKJASJ-UHFFFAOYSA-N 444.605 2.088 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539632391 RFLGBFZSWRTOGZ-QYZOEREBSA-N 431.581 2.458 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1540160789 BDCHKEJVIFZOCL-HKUYNNGSSA-N 445.593 2.061 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541448816 DHBZJEAEDCVSQJ-HXUWFJFHSA-N 434.541 2.217 30 10 IEEE Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)cc1 1542438921 BKLCATSQPCYTOD-UHFFFAOYSA-N 447.499 2.297 30 10 IEEE C#CCN1CCCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1544084063 FLECHWDNBMFXGC-GOSISDBHSA-N 430.553 2.021 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)C1 1555776598 BQXQTWDZHUGVRG-LJQANCHMSA-N 433.516 2.463 30 10 IEEE C=CCOc1c(Br)cc(CNCC(=O)N2CCN(C)CC2)cc1OCC 1560295556 FVPDHMAELPFFAM-UHFFFAOYSA-N 426.355 2.276 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)c(OC)cc1OC 1561725191 PEQPUSBTBXGUIL-UHFFFAOYSA-N 448.335 2.432 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)N3CCN(c4ccccc4C#N)CC3)cc2)CC1 1565489151 HFQFMNKUCIHUHU-UHFFFAOYSA-N 432.572 2.384 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(-c2ccc([N+](=O)[O-])cc2)n1 1587218790 ITYDPFRIXIRTGB-OTLZBWLZSA-N 427.486 2.498 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCc2cn[nH]c2)c1 1587693987 ZCRNWCXWGXDPOU-UHFFFAOYSA-N 440.511 2.286 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1588035691 XDXJCCLZIQCODF-CQSZACIVSA-N 438.351 2.008 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1588271634 NKMVUCFBTZUYDC-DVECYGJZSA-N 437.544 2.443 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1588384935 DJZNQJFTIGFXGL-GOSISDBHSA-N 430.530 2.217 30 10 IEEE C#CCN1CCN(c2nnc(CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1588836921 OFMJGISUXYHMFD-GOSISDBHSA-N 428.581 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1588876777 IPONEGJMZODTHL-NHCUHLMSSA-N 426.540 2.327 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)C)CC1 1593711837 JTAIZTWWTZFYQS-UHFFFAOYSA-N 447.605 2.472 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1593746842 OINBBLJNQQBMHQ-RBUKOAKNSA-N 448.593 2.119 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594533699 FJNOUYLHJCCFCK-IAGOWNOFSA-N 430.553 2.499 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(CO)CC1 1595506671 ITSMGRWWKRWCHS-UHFFFAOYSA-N 443.548 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1595788950 LPYCJRMQAOLKDW-KRWDZBQOSA-N 432.546 2.423 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1596530328 ACMAVIBZKVISNQ-AVRDEDQJSA-N 440.573 2.037 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1613987308 INNKYPKFEKUQHU-CYBMUJFWSA-N 435.454 2.260 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1615918126 AMJMTPHCXWCUHE-UHFFFAOYSA-N 438.580 2.331 30 10 IEEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 1618450119 CATMYWNBNVTSPD-SFHVURJKSA-N 447.547 2.125 30 10 IEEE COCCN(C)CCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619880060 KZNWBBMWLUSCMX-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCCCCC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1620350223 FXTAGVFGLAMXSE-UHFFFAOYSA-N 429.546 2.137 30 10 IEEE CCOC(=O)CN(Cc1ccccc1O)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1627014347 WOJSPWAWXPKSAA-UHFFFAOYSA-N 426.473 2.369 30 10 IEEE CN1CCN(CC2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)CC1 1627099791 FUQFXEKFPAYFPV-UHFFFAOYSA-N 435.366 2.186 30 10 IEEE C=CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1627751626 FALZYKZZBVBALW-INIZCTEOSA-N 425.503 2.026 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CNC(=O)NCC)cc2)s1 1629115260 SCTJEXLGMNFNNP-UHFFFAOYSA-N 436.559 2.213 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1 1630027744 YMZVIGQWXAMTBL-UHFFFAOYSA-N 439.581 2.161 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2ccsc2C#N)CC1 1632830022 GQMBVXQTDCAZTD-UHFFFAOYSA-N 430.534 2.340 30 10 IEEE N#Cc1cccc(C2(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CCOCC2)c1 1633171612 JMWROGXRUOTQCO-UHFFFAOYSA-N 434.427 2.181 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)[C@@H]2C1 1636368820 LFQBRGFRRUQNLT-FYKJJADWSA-N 431.533 2.477 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)c1 1636757409 MOOACMGBGKBOBE-UHFFFAOYSA-N 433.436 2.166 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3(C)C)CC2)c1C#N 1638688811 IPKLIAGTBCIOGT-SJORKVTESA-N 430.553 2.188 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)C2=O)cc1 1638905772 BXLKXEKAHVQSKA-CYFREDJKSA-N 446.511 2.132 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)c1cc[nH]n1 1639997064 ZAVBFGBUDIRVSA-UHFFFAOYSA-N 441.271 2.290 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1643985644 MOIBSKSCTPRRHA-QGZVFWFLSA-N 427.461 2.198 30 10 IEEE N#Cc1cn(CCC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c(=O)nc1O 1644630362 MNANDNQLKNRHJJ-UHFFFAOYSA-N 442.273 2.039 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 1644921657 XYVTUPJJHQLRFG-YADHBBJMSA-N 437.565 2.192 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCCc3cc(C(=O)OC)ccc32)c1 1647846062 MYFNCWRCSGTYIX-UHFFFAOYSA-N 426.494 2.368 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 1648462281 QQVGGAUHYAQXLN-KKSFZXQISA-N 433.461 2.406 30 10 IEEE COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1c1ccc(Br)cc1 1664575496 HJJNKRZGHUYQDO-LSDHHAIUSA-N 427.320 2.271 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)Nc1cc(C#N)c(F)cc1F 1672608016 AUDNMPFIRXJGCS-UHFFFAOYSA-N 428.392 2.166 30 10 IEEE Cc1cc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)n1-c1ccccc1 1683148891 GADWRHNZADLXQZ-SIKLNZKXSA-N 426.542 2.216 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2COc3cccc(Br)c3C2)n1 1687408984 LLODUTZBBHZKQP-INIZCTEOSA-N 447.333 2.441 30 10 IEEE C[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1cccc(C#N)c1 1687594887 NJWYOPRJJRAUNJ-PBHICJAKSA-N 427.505 2.139 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1689829250 WTEBRXPLQKVXCI-CECAUBDESA-N 446.573 2.042 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cc(C)on2)CC1 1690148472 IKTUVFXQSBKZPQ-UHFFFAOYSA-N 436.491 2.319 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H]2CC)CC1 1690150792 VOCMIIDXOVJZDG-QUCCMNQESA-N 440.592 2.193 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690188588 LGPTZYAVSLXWGP-OTWHNJEPSA-N 434.606 2.500 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690509138 XTCXWANXTXJVTP-QGZVFWFLSA-N 444.536 2.070 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1690518644 QFNNTJDQDTUNBU-HXUWFJFHSA-N 435.619 2.408 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1690603950 LHPKCTIXMJOLDX-HXUWFJFHSA-N 439.560 2.299 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCN(C)C2)C1 1690687722 IDGWGYCTTJWZHE-GCJKJVERSA-N 449.502 2.394 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2occc2C)C1 1690699902 KUKPEIXKJMBPKR-ROUUACIJSA-N 429.521 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CC1COC(C)(C)OC1 1690719387 LJGZRSATMFYSMR-UHFFFAOYSA-N 438.550 2.283 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1692661518 DYHZEOARHNVSGZ-AEFFLSMTSA-N 430.578 2.227 30 10 IEEE C[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1693678268 HWNQDSNGRKTLFK-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CC 1695765177 HUBRNWNTDYEGGS-IBGZPJMESA-N 430.578 2.172 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(NC(N)=O)cc2)CCO1 1698493921 QKDIBWJKPJWKOH-INIZCTEOSA-N 438.879 2.261 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705564216 MPQBPBJEPWBOBS-GOSISDBHSA-N 444.557 2.173 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(NC(C)=O)nc2)CC1 1705644200 IPIDILHHXCJYML-MRXNPFEDSA-N 437.548 2.159 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)cs1 1705651534 ARFNAXYWFAOCAB-AWEZNQCLSA-N 427.621 2.261 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705694261 QAGSEKWFSGZXFX-AZUAARDMSA-N 439.564 2.203 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1705819762 TYXUKTNWMSALSH-MSOLQXFVSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705906969 WBEHUGWIONPKFZ-GOSISDBHSA-N 441.532 2.166 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCOC2CCOCC2)n1 1707822585 GSSRRYQIJRVGCE-UHFFFAOYSA-N 427.553 2.465 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1722333124 SDFPHGLKRJQCHS-PWRODBHTSA-N 442.608 2.012 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@H]1OC 1722357362 AKMVUMKVPKFQGW-WNRNVDISSA-N 433.553 2.170 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1722370533 CGDFZFIAPFCOKJ-LEWJYISDSA-N 440.569 2.035 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)c(F)c1 1722373625 KZGIGOHJPQVKDT-HSZRJFAPSA-N 425.508 2.256 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C 1722529888 GWPMYSPMHKOYSU-UHFFFAOYSA-N 429.521 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@H](C)CC)C1 1722714461 NITWIUDSHNMHKV-HZPDHXFCSA-N 444.536 2.092 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2CCCC[C@H]2C1 1722730682 ZUBXQEGFRPHMKR-SFHVURJKSA-N 435.619 2.206 30 10 IEEE Cc1cc(C)n(-c2ccc(Cn3c([C@H]4CCC(=O)N4)nnc3N(C)[C@H](C)CC#N)cn2)n1 1725865678 AKZCKXHMHAMSEG-CRAIPNDOSA-N 433.520 2.213 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cnn(C)c2)n1CCC(C)(F)F 1726641845 FALCADREQXEJNW-AWEZNQCLSA-N 442.478 2.101 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC[C@@H]1C 1730407737 RQDRLMIATYIBHE-XTQVGHSUSA-N 441.532 2.395 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1731188968 DATKFNHIYQSIBF-DLBZAZTESA-N 442.486 2.175 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C)COc2ccccc2OC)CC1 1740703367 PPHYSDFKAHDEBK-KRWDZBQOSA-N 425.533 2.276 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740794758 HRIQYOAZGXHLSY-RTWAWAEBSA-N 444.580 2.484 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740796647 FITQJEGFHLVYRZ-JOCHJYFZSA-N 429.496 2.305 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740872914 AGBSQZXSUTZKDI-UHFFFAOYSA-N 427.538 2.351 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN(C)C)c2)C1 1740969706 AKJJJEHMLPGFDO-FQEVSTJZSA-N 426.565 2.308 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)ccc2OC)C1 1740971574 ZMMHCYQMGAULDN-GOSISDBHSA-N 429.521 2.263 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(C)COCCO2)C1 1740983489 JUSKWXVDJHYHQP-NZQKXSOJSA-N 428.533 2.486 30 10 IEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(C)=O)CC2)no1 1744464115 HRQQBFWMHKYHSO-UHFFFAOYSA-N 448.531 2.357 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@@H](C)O1 1745056611 GXCJBXXYWJHDGQ-SJLPKXTDSA-N 426.521 2.257 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748642164 MURRTAPAAUYUST-KBMIEXCESA-N 437.588 2.487 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1748717480 ASXVYZSXQIOHFM-VQTJNVASSA-N 433.622 2.296 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1748817660 NTVGMSPLYBWSDK-MSOLQXFVSA-N 448.976 2.419 30 10 IEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748820368 AKNWBQKDLKOISA-RBUKOAKNSA-N 446.573 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C(C)C 1748868737 GTWFSSASAHIUEY-UHFFFAOYSA-N 431.338 2.271 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn2ccccc12 1748901260 VJJCYTHQWCIHQV-UHFFFAOYSA-N 443.536 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC2)CC1 1749015159 ULFIGZJUTPTLRQ-INIZCTEOSA-N 443.498 2.149 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)(C)C 1749073024 CLGYIPXTBROTRU-JOCHJYFZSA-N 442.589 2.424 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749187725 HGTORJUCOCKMDM-QGZVFWFLSA-N 431.566 2.142 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1749672207 SRXXFQLHCMXENK-UHFFFAOYSA-N 425.512 2.297 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)F 1750075962 KCPIUOHVWKATDJ-OAHLLOKOSA-N 434.495 2.330 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCOc1ccc2c(c1)OCO2 1760096843 VNIWLOWYBHQRBW-HNNXBMFYSA-N 427.505 2.462 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760133721 NRXSBZVWIMPRSV-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760138208 TVGUJJVNUBGCRR-LQWHRVPQSA-N 435.594 2.183 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CCC1 1760160472 FILFJOLGCJVEDA-UHFFFAOYSA-N 429.546 2.184 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(SCC)c1 1760205516 CSCJVAMHPWFPQK-GOSISDBHSA-N 428.583 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1760219334 BIQLREYUJQHQSY-OALUTQOASA-N 438.553 2.209 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)COCCO1 1760226486 FFONAYLOMIHRDY-QFIPXVFZSA-N 430.505 2.236 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2ccccc21 1760248904 FOVKBJDPJUFTHG-WOJBJXKFSA-N 442.585 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC(C)(C)C1 1760251283 VUWHGOOBDMHQHX-UHFFFAOYSA-N 427.597 2.348 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760272703 SJKVDQBGDJCNKF-MRXNPFEDSA-N 429.594 2.290 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccnn2)CC1 1760305020 PPSOTSHGCUEDSR-UHFFFAOYSA-N 427.310 2.365 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760356826 XTQMQUCOEPITML-IAGOWNOFSA-N 448.568 2.173 30 10 IEEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1760377507 DJCMFSALMOEHOE-QGZVFWFLSA-N 428.924 2.444 30 10 IEEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760437495 FYBVHHJYNCTIKZ-UHFFFAOYSA-N 432.532 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558553 SDOIAIJPJQLXFT-UEXGIBASSA-N 440.610 2.402 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@]2(CCOC2)O1 1763090371 VVOCESZBWSYMOK-VFNWGFHPSA-N 433.459 2.483 30 10 IEEE CC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765122420 DSRUXVPXSXMGGJ-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE COc1ccccc1OCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(C#N)o1 1768968335 UNGQTFYADYXGPU-HNNXBMFYSA-N 436.472 2.046 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC(=O)N1 1768995773 MZNUMTCNYPFQKC-OAHLLOKOSA-N 446.353 2.455 30 10 IEEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1770504787 KSSAVMRNDSBHJU-GOSISDBHSA-N 448.618 2.478 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)nc1 1771109445 QLMYMLYITBGBOA-UHFFFAOYSA-N 440.895 2.389 30 10 IEEE COc1ccccc1S(=O)(=O)C[C@H](COc1ccc(C#N)cc1)OCC1=NCCO1 1853364523 XAYUDYKPPZIGHW-SFHVURJKSA-N 430.482 2.233 30 10 IEEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21 1853698484 DIJDMMHSSXWRNH-MRXNPFEDSA-N 432.546 2.120 30 10 IEEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 1855714458 YKERLWWZKGNXMI-MRXNPFEDSA-N 426.904 2.384 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F 1862735089 BNNATYXBBNFRKM-SFHVURJKSA-N 427.388 2.448 30 10 IEEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN(CCOC)CCOC 1870667384 BJDCWHIRYAKYTN-UHFFFAOYSA-N 425.570 2.168 30 10 IEEE CCCCCCCCN1C[C@@H](C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)CC1=O 1872961069 IMOPNWNEPAOXSF-KRWDZBQOSA-N 427.553 2.211 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccccn2)cc1 1874219839 HDCYMXQMLFIGOK-YDZHTSKRSA-N 426.502 2.153 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Cl)ccc1O 1874430858 BEVUXCAWBWWRHT-ZVBGSRNCSA-N 438.941 2.116 30 10 IEEE C#CCCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390912 MDTBCEIHTZZEHC-FQEVSTJZSA-N 427.478 2.416 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)CC1 1889297201 JLAGGIWFLVQALC-UHFFFAOYSA-N 438.494 2.363 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3cccc(F)c3)CC2)CC1 1890180109 VEVFUHMLNJLSGW-FQEVSTJZSA-N 431.552 2.242 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2010230204 XEDSYVOGGXPHMD-BBWFWOEESA-N 439.553 2.027 30 10 IEEE C=C(CNC(=O)[C@@H](Cc1ncns1)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2020858503 YCWFBGOFDFCMDF-CYBMUJFWSA-N 438.359 2.278 30 10 IEEE C#CCN(C(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2022865949 PLIYBNCVTXMTFP-DOTOQJQBSA-N 439.553 2.122 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2052712968 SYFWDMZQNPPCOM-RTBURBONSA-N 432.370 2.446 30 10 IEEE C=CCn1ncc(N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2106008171 CTUNONLDDHUNPW-AAEUAGOBSA-N 429.315 2.286 30 10 IEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224129473 GQVMDGCDIRLBTQ-XJKSGUPXSA-N 436.314 2.214 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243675562 YAUNSBDWBXNYPH-LBPRGKRZSA-N 425.360 2.219 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@](C)(CO)C1 2255364242 QPXKMJUCMOJFKU-JOCHJYFZSA-N 433.358 2.189 30 10 IEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)F)ncc1B1OC(C)(C)C(C)(C)O1 2256681508 MFUICLASZGLPRC-SMDDNHRTSA-N 438.309 2.274 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098702 CBYYNDJUSIUZKN-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2267127853 URSZSJQTWAITEC-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267132181 MNLMGOTZCQBDMB-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2267141064 VHJCWYGPUAIEJV-UHFFFAOYSA-N 438.381 2.422 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)OC(C)(C)C)C1 2267200102 SVEBMQNQHMNMBX-JOCHJYFZSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2267223571 JYFKBHGKADRWOC-GOSISDBHSA-N 446.353 2.040 30 10 IEEE COC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2267259840 FYEKVQGTIAVQRF-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](F)C1 2267267320 JLKHZCLWEHAPNG-CABCVRRESA-N 449.332 2.458 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267495259 ZFCGCAZLAYCXHF-ZBFHGGJFSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267536945 NEPQQZOZLKRTST-WKILWMFISA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267551309 KTRWGGSNLDYZGA-ZBFHGGJFSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCC[C@H]2NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2267562674 FWGMLAJEIDWVMN-MSOLQXFVSA-N 447.385 2.211 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267607839 BOJNUGHUMMMUMY-HUUCEWRRSA-N 446.357 2.197 30 10 IEEE Cc1c(C(=O)NCCc2cnn(Cc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282590913 IUYBLVYEOPJAMX-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2320501252 BSAPBJQBRIXPPU-RTBURBONSA-N 432.370 2.364 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)n1C 2337324506 VPRUMJNOBIDJPI-UHFFFAOYSA-N 448.373 2.155 30 10 IEEE N#CCOc1ccc(/C=C/C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 16180089 CHJBCHUDPCGFIQ-ZZXKWVIFSA-N 435.509 2.016 30 10 IEEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 20527987 VVWQSAUCSQPVKF-YDZHTSKRSA-N 425.518 2.245 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc2C1=O 29159304 DNBSOLNOGYLNFW-UHFFFAOYSA-N 446.551 2.406 30 10 IEEE C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(c2ncccc2C#N)CC1 59367897 KFBRKAUTDZNEEO-GFCCVEGCSA-N 448.346 2.244 30 10 IEEE COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3C#N)C[C@@H]12 169681808 JYTRELRCKFLHPT-OFNKIYASSA-N 449.511 2.487 30 10 IEEE CC(=O)O[C@@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1 253530158 JLZAERUVCODZQO-USSSAQHVSA-N 446.540 2.469 30 10 IEEE biogenic N#Cc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 460283853 UULHOQGKLPGFSO-HXUWFJFHSA-N 427.526 2.295 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 477694319 OKHXYUGKQRWALE-ZDUSSCGKSA-N 427.461 2.403 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 488664200 RUJUXNNXLZJCKU-GOSISDBHSA-N 447.557 2.149 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 492652976 DSWTXBHCWWNKHV-YQORSWRPSA-N 431.625 2.324 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 507194620 KWXHQHOPVCFAQM-HSZRJFAPSA-N 446.551 2.333 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(C)cc2C)c(=O)n1C[C@H]1CCCO1 514492314 NPRYBIBCKSSGIJ-GOSISDBHSA-N 439.581 2.043 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 542963114 VYQIQMQACONEIS-UHFFFAOYSA-N 441.923 2.169 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1-c1ccc(F)cc1 543148530 GBTLJAFEHIIRDS-UHFFFAOYSA-N 444.491 2.144 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 585831188 QDENIOWDCBDRTK-IAMQXENHSA-N 449.482 2.187 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1 609694491 HORAXPOXUQGVEP-DLBZAZTESA-N 431.464 2.473 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c(=O)[nH]c21 727411765 WBNOUZZIFZHIBQ-GQCTYLIASA-N 431.500 2.371 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)C1 732650267 LPOCXAUKKNASCK-HLIPFELVSA-N 430.574 2.166 30 10 IEEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C 733198382 WYBBJYFMIYMRQF-WMLDXEAASA-N 437.587 2.418 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1Cc1ccon1 751820100 MFGWSABGMTTZMR-UHFFFAOYSA-N 429.436 2.174 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 764443752 DOVSNSUKEUVYHI-FBJWDTDZSA-N 425.485 2.071 30 10 IEEE C[C@H]1C(=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)CC(=O)N1C(=O)OC(C)(C)C 766433676 HKPRJEAVFWLNHA-ZDUSSCGKSA-N 437.522 2.190 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnn3cc(Br)cnc23)cc1Cl 770124820 OWOULBVYEKDBNL-UHFFFAOYSA-N 440.666 2.136 30 10 IEEE Cc1ccsc1[C@H](CO)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 771240402 QCMMNBFOUFBNIY-HOTGVXAUSA-N 435.571 2.360 30 10 IEEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1COc2ccccc2O1 780180511 RSTVNIXVIWNWQI-KXNSMUHISA-N 446.500 2.478 30 10 IEEE Cn1c(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnc1C1CCC1 783104549 XIZJSCPVPHJJER-UHFFFAOYSA-N 443.529 2.098 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccccc2)N(CCCn2ccnn2)C1=O)Nc1cnccn1 784125524 JHPZVWCXCKJWBS-MRXNPFEDSA-N 436.501 2.119 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)n1 788558946 BGEUZDPZOPGFQU-HXUWFJFHSA-N 425.489 2.314 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCC2(O)CCC2)C1=O 790001762 RQGJOWBNAXQTCP-QGZVFWFLSA-N 436.553 2.130 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCN1C1CC1 790897140 KTWMDTIRLKLVKN-OAHLLOKOSA-N 431.294 2.381 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 809922680 VEWCVWGIFVYMLO-SFHVURJKSA-N 448.568 2.125 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccc(C#N)c(OC)c2)C1=O 809944524 YDWXGDWOMNLZPC-KYVIQDPYSA-N 437.525 2.141 30 10 IEEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 814613548 DZPRMSVQAOWXKB-UHFFFAOYSA-N 437.437 2.245 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916694103 RFFFSFUUULRUHI-LYBHJNIJSA-N 449.577 2.268 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cc(OC)ccc3O)n2N)cc1 1083852564 WXMIYZNQDQBFNR-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE CC(=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1cccnc1 1083903369 UWFPMVIMSNTLBO-UHFFFAOYSA-N 425.474 2.173 30 10 IEEE CC(=NNc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1cccs1 1084553041 ABQGSULTKPKLRS-UHFFFAOYSA-N 441.498 2.317 30 10 IEEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)COc2ccc(C#N)c(Br)c2)O1 1133996330 JNUYMZWBLBJQDQ-SZMVWBNQSA-N 439.306 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)n[nH]2)C1 1139227627 RYLLFVWBOWDODW-HNNXBMFYSA-N 429.477 2.183 30 10 IEEE CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCN(O)C3=O)c2)cc1 1141463819 UJTROYOOZGXVGO-LJQANCHMSA-N 447.513 2.305 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc21 1144429522 WDTKNESZGQSWEA-QZQOTICOSA-N 440.500 2.169 30 10 IEEE C[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1(Cl)Cl 1251195261 LLJFPQPJCHEKRH-MRXNPFEDSA-N 431.345 2.158 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1C#N 1279985021 MNERSJBMPURZIW-UHFFFAOYSA-N 441.532 2.297 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1c(OC)cc(OC)cc1OC 1286270509 KXEWRCRKDRRVCU-INIZCTEOSA-N 441.532 2.241 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCOC1 1286469090 QBSIDDJYQDZEDV-XMMPIXPASA-N 442.560 2.392 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2oc3ccc(F)cc3c2C)CC1 1286472145 VQMUOCMUINMBJI-UHFFFAOYSA-N 438.507 2.414 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(C)C)CC1 1286492891 QWGPKNNNRCASEO-UHFFFAOYSA-N 442.589 2.282 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)o1 1286495889 HQTFNLOXNNTMMT-JKSUJKDBSA-N 437.591 2.498 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOCC)CC1 1286561793 OZBRTBUQDHUDBF-SFTDATJTSA-N 426.565 2.480 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)CC1 1286564715 HOZKQVULZCBTOS-HTAPYJJXSA-N 441.532 2.173 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCSC1 1286569351 NGFNUAIFZMZTIR-FQEVSTJZSA-N 426.550 2.191 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286634826 CXTZAJZZCZRTEB-KFWWJZLASA-N 438.960 2.468 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)CC1 1286664925 LWSWMLGNWZQHPZ-UHFFFAOYSA-N 438.504 2.053 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1286791065 MRBZHBJXJGWRNK-MRXNPFEDSA-N 426.569 2.091 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@H](C)C1 1286965786 NTUFTHAQMZJEHT-ZACQAIPSSA-N 443.552 2.101 30 10 IEEE N#CCCn1ncc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1-c1ccccc1 1287508056 QZZCKEROYHCUSH-OAQYLSRUSA-N 430.512 2.490 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4n(c3C#N)CCOC4)c2)C1 1289683462 LJCDWMRAXKAXAZ-HUUCEWRRSA-N 443.529 2.204 30 10 IEEE CN(C)CCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cn1 1291831445 DNLXIAKVZVXSIP-GFMRDNFCSA-N 446.577 2.290 30 10 IEEE CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H](C)CS(=O)(=O)CC 1293504053 SEOIVGFLEOGBHM-ZDUSSCGKSA-N 442.379 2.429 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1298785637 MKCXPCGNSRBHIN-RTBURBONSA-N 429.546 2.399 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1299187583 HQFNBQJRLUURCK-GOSISDBHSA-N 442.493 2.123 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1300319299 AATWENUKGKIZNT-QZTJIDSGSA-N 436.560 2.435 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NC1CCCCC1 1300511818 LUZHAIGNICNMMN-XMMPIXPASA-N 441.576 2.231 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1300665316 ZCTFMWYNFRDSFX-GOSISDBHSA-N 449.559 2.412 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccn2)CC1 1300745080 CYYOGPANBRIGPV-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccccc1 1300883678 DMIDBIJFFUXITK-ZJOUEHCJSA-N 425.533 2.209 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300912552 FLIZBYSDXXGHQE-IBGZPJMESA-N 440.548 2.147 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301189925 ISAIEVCQVRFMFW-UHFFFAOYSA-N 446.559 2.441 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCN(C)C1 1301342026 QVMMHQKIHDKGEM-VWLOTQADSA-N 443.555 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H](C)C1 1301587398 ZFPQTONTGVYSJA-CABCVRRESA-N 435.550 2.089 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301596774 YELRWPDBFVSSIZ-SFHVURJKSA-N 445.593 2.228 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1302123588 KBHRIGOGGOOQDQ-NRFANRHFSA-N 444.511 2.303 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1309607304 XHFPNTHHMHRXEE-CLWJZODNSA-N 442.603 2.223 30 10 IEEE CCn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312468127 DXAVCEZADBMPAL-RBSFLKMASA-N 449.581 2.235 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCC1 1358886482 FDRMZLFPDJAXNU-INIZCTEOSA-N 433.516 2.454 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1358887241 SBWOGMGHRDRKFE-CQSZACIVSA-N 429.484 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1358891155 ZTQPELHJTJFRPK-KSZLIROESA-N 433.578 2.314 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnn(C)c1C 1358972134 VAHQAZLJTXVJLV-UHFFFAOYSA-N 434.500 2.134 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC[S@](=O)C(C)(C)C 1358982842 MLHVXCZQVJCJIZ-PMERELPUSA-N 428.558 2.486 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(-n2cccn2)cc1 1358984472 WWRJEWVOYBSPEY-UHFFFAOYSA-N 441.539 2.405 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC2(C1)OCCO2 1358999071 BWKBUBIPFKVVJY-UFYCRDLUSA-N 428.533 2.008 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCN(C)C(=O)OC(C)(C)C 1359022914 QOZJTXXFDXQWDS-UHFFFAOYSA-N 429.525 2.078 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1359030987 MEEPDADMDFUCTM-UHFFFAOYSA-N 436.947 2.409 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359035241 OXEBIDFASCRRLH-REWPJTCUSA-N 427.549 2.392 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359117072 BSACOCXGGPKERH-FUHWJXTLSA-N 442.951 2.495 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359136503 KNKBARMEQTUZHI-GOSISDBHSA-N 441.532 2.269 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1359261099 WPXIALOHPJSAIH-GOSISDBHSA-N 429.496 2.102 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)c1 1441630717 MBLKKZQZGTVCTA-WWROZYCVSA-N 444.488 2.388 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 1452424775 YBTPAWVGIIROGF-MJGOQNOKSA-N 440.500 2.492 30 10 IEEE N#CC1(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCCCC1 1453569803 OZYKWPRIOBUFOM-RDJZCZTQSA-N 425.938 2.054 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1460822145 ZSYHOTWEJMIKCE-IBGZPJMESA-N 440.521 2.311 30 10 IEEE N#Cc1n[nH]cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1461826105 DUKFITFGKONFBX-UHFFFAOYSA-N 438.307 2.471 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc2n(c1C#N)CCOC2 1463336811 SLDFCZLTPKKJSM-UHFFFAOYSA-N 446.261 2.335 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 1463729928 OCVVYDGDDWBJSC-CEXWTWQISA-N 432.546 2.275 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3csc(C#N)c3)cc2)CC1 1464744470 CYMKJBUFCRSUTF-UHFFFAOYSA-N 426.542 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCCO 1507533054 PCHGUXKVTOADOR-QGZVFWFLSA-N 435.569 2.250 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507629962 RXXQGIBWYBPMNC-GOSISDBHSA-N 445.564 2.197 30 10 IEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1507640355 QFQUDYGQYRMGKF-IBGZPJMESA-N 446.573 2.137 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507717414 BRQOCMDXWPTREK-QUCCMNQESA-N 429.952 2.405 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)[C@H](C)CCC)CC1 1507901498 AKTAMLOWSHCWDS-SJLPKXTDSA-N 437.610 2.135 30 10 IEEE COc1cc(F)cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1518027749 KTKBCMBEAVBMJP-UGKGYDQZSA-N 445.495 2.243 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 1521684989 POJUGSRRPGPWMA-AWEZNQCLSA-N 441.463 2.402 30 10 IEEE Cc1nsc(N(C)C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)c1C#N 1525007817 GXMJZAVTDXIQDH-KRWDZBQOSA-N 427.530 2.059 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CSC[C@H]3C(=O)N3CCCC3)CC2=O)cc1Cl 1530202298 CTGYTPBNCBGQDO-YOEHRIQHSA-N 432.933 2.088 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(COC)o1 1539093629 BEKIINQYXGBJMM-WBVHZDCISA-N 435.550 2.383 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(-n2cccn2)cc1 1539238222 SWDQGMZRNQQFSP-RUZDIDTESA-N 444.539 2.431 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)C 1539325338 HJSOIJGGVMBHLX-LJQANCHMSA-N 445.564 2.474 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(=O)N(C)C)CC1 1539441431 OTBMZAQMSAMJKY-UHFFFAOYSA-N 431.544 2.117 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)COC)CC1 1539505338 IPZXBVTWVUPENQ-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1541854219 REAXNIUUBHCMOX-BRWVUGGUSA-N 434.541 2.156 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C/CN2CCOCC2)cc1 1542161420 BNXGYPCHCGAETI-MZFMSLCYSA-N 434.562 2.107 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1542224954 XMBJBVZDGMJNOG-HOTGVXAUSA-N 433.582 2.049 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(NC(C)=O)c1 1546532307 HBJDXKVDDAEHRI-INIZCTEOSA-N 445.531 2.224 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1554689407 XOZJAHAWBLPYPV-AQMPTVPWSA-N 428.537 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1557833144 FUAUUILPBGPRKA-UHFFFAOYSA-N 427.549 2.196 30 10 IEEE CN(C)C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)c(Cl)c1 1565183282 AFZQUNDEZMPBEF-XCRHUMRWSA-N 445.372 2.176 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)cc1 1587356350 RASNAGCTNYJGSK-QGZVFWFLSA-N 426.416 2.080 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)CC1 1587783839 ZGTBYRULUDJKPX-UHFFFAOYSA-N 440.573 2.166 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588064565 KOPLMHJAWHNCHD-SIKLNZKXSA-N 434.606 2.453 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1588459163 NHRCZZHGHDCKDA-NRVIRDBHSA-N 433.553 2.048 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nnc(C)s2)CC1 1588848501 IFIKYYXDSSMEQG-UHFFFAOYSA-N 425.537 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)CCC(C)C)CC1 1588930397 VEHLSNNCFYAMLJ-HYBUGGRVSA-N 445.608 2.325 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnn(C)c1 1595477494 VOSKGQFYEVKMKS-OAHLLOKOSA-N 427.484 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(O)(c2ccccc2)CC1 1595812521 XEXKEFJALISNPS-UHFFFAOYSA-N 430.574 2.319 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1615328235 AGPXCVQEOYVSRG-VQTJNVASSA-N 439.539 2.338 30 10 IEEE CN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1618200565 GMWRKQCNXSNVGU-GOSISDBHSA-N 429.546 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1628192357 UWOVSVGVKWHSTF-CYBMUJFWSA-N 425.482 2.252 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](CN4CCCC4=O)C3)C2)C1 1629806714 BVXQISAOXKOZMI-ZRSCRABMSA-N 430.549 2.244 30 10 IEEE COc1ccc(N2CC[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1 1630618725 FUKFNZOPLGCGHP-OAHLLOKOSA-N 431.489 2.388 30 10 IEEE Cc1ccc(C(=O)Nc2cncc(C(=O)OC(C)(C)C)c2)cc1S(=O)(=O)NCC#N 1631287082 VGPMMHZCIJKRQI-UHFFFAOYSA-N 430.486 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCNC(=O)c3cccs3)C2)C1 1631840115 KAQXGOBUQNKESF-DBWCEAHUSA-N 432.546 2.381 30 10 IEEE C[C@]1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](O)CN1C(=O)OCc1ccccc1 1633611337 MYYTYVNMKCMOBI-WMZHIEFXSA-N 446.467 2.240 30 10 IEEE C#C[C@H](NC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1)[C@H]1CCCO1 1634470295 QJBXZDARZITGKX-XSDIEEQYSA-N 446.592 2.425 30 10 IEEE Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)sc2ccc(C#N)cc12 1636695933 DYABVFZGLDLXTP-DMAKZNTKSA-N 431.539 2.023 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1640298586 JBXBPBASGQVDPB-HMQMGEFJSA-N 442.988 2.222 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3nc(Cc4ccc(F)cc4)[nH]c3c2)C1=O 1641061666 PTVUNAFSVBXUDE-UHFFFAOYSA-N 435.415 2.208 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN(C(=O)CNc3ccc(C#N)cn3)CC2)CO1 1645864493 ZCQPGOMPGPHFBD-QGZVFWFLSA-N 429.521 2.288 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1648734685 VPFZHQDTDVKLPJ-APWZRJJASA-N 431.338 2.382 30 10 IEEE COc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1OC 1652419163 ZEISWWROHAMCIP-UHFFFAOYSA-N 431.514 2.147 30 10 IEEE CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(Br)ccc1C#N 1653467124 FZVHCGPEXDDHOP-ZDUSSCGKSA-N 432.365 2.253 30 10 IEEE Cc1cccc(Cl)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1653530234 BUAUDDZDLALHRH-UHFFFAOYSA-N 439.946 2.215 30 10 IEEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Br)cc1 1680153503 ZGVGNIXNTGMEQL-KRWDZBQOSA-N 440.363 2.379 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1689851657 UDMGDDYMRKXELF-SJLPKXTDSA-N 444.580 2.377 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1689967726 PAHQUIWUMDPCDA-QGZVFWFLSA-N 425.430 2.341 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cnnn1 1690066653 LDXXCFWRJBRHAT-UHFFFAOYSA-N 433.289 2.383 30 10 IEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1690228743 DVCFHSJRBVIDAI-CZUORRHYSA-N 448.321 2.414 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690414798 KUKAMOOADFDCBK-HXUWFJFHSA-N 430.597 2.160 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1690724455 PNJMGMIETCOWIZ-AZUAARDMSA-N 446.573 2.269 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1691494271 UFEMILMFDPDXSH-QGZVFWFLSA-N 432.475 2.449 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCCC1 1692911858 FIFWVRTXINIEKY-INIZCTEOSA-N 444.609 2.238 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1694341157 BBRHPOGHHXWIGE-OPAMFIHVSA-N 429.569 2.241 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCC(C)(C#N)CC2)CC1 1695867053 BQVPDLUXJKZNFR-UXHICEINSA-N 447.628 2.158 30 10 IEEE CCOCc1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1696277814 GSRDMJAIZZKCFX-MRXNPFEDSA-N 426.512 2.301 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1705567747 YVXVHZXRNSDDST-KRWDZBQOSA-N 431.587 2.338 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1705574774 MZIIQJPBTJVHNF-QHCPKHFHSA-N 445.564 2.258 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nc2cccc(Cl)c2n1C 1705625905 BAVPLDPQKBFLAA-UHFFFAOYSA-N 438.923 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC 1705700523 UTOAWUSFBXICIH-UZLBHIALSA-N 438.532 2.256 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1705878038 IBZHPRJFLNJYGE-HSZRJFAPSA-N 449.515 2.232 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(F)cc(F)c2C1 1705897641 QTPNRZJYXZANBE-AWEZNQCLSA-N 435.475 2.145 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705902806 JTLUMBJCKYXMHZ-OALUTQOASA-N 427.553 2.129 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1706553267 AVGSPGSOXZPCCF-IBGZPJMESA-N 430.578 2.170 30 10 IEEE Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)cnn1C 1707009206 GBRHKQMALDKUSB-LJQANCHMSA-N 432.532 2.410 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)S1 1708177032 JZPWEGZZKNKEQQ-ZQIUZPCESA-N 439.545 2.135 30 10 IEEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCSC)c2ccccc2c1=O 1710304121 NARCQZLVKLQAJL-OAHLLOKOSA-N 439.545 2.157 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722481530 BNSWHCMLXLXNRG-AWEZNQCLSA-N 432.326 2.235 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722507928 QNBOBTDEFVHDAW-IEBWSBKVSA-N 437.610 2.435 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722629093 MQXPVGXQVQYANY-UHFFFAOYSA-N 446.596 2.178 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1722656448 VJXFNDSXLWZMCN-HSZRJFAPSA-N 434.500 2.269 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1CC 1722669000 IKFHFBDNXBAJCG-UHFFFAOYSA-N 431.504 2.030 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(=O)OC)CC1 1722695905 UFNGDVUWQKYXRP-UHFFFAOYSA-N 447.923 2.299 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)nc2)C1 1722709426 QFSXTBVPRUMOAY-LJQANCHMSA-N 439.564 2.241 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1729811769 DUZMQEVIHDJOEU-HNNXBMFYSA-N 435.550 2.023 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1730485213 AIONCQNRIUQKQX-VQIMIIECSA-N 442.495 2.133 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1731188740 IDOCGQOMGCUWFZ-QGZVFWFLSA-N 435.454 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1740553788 UMNLWQMGOKIDFL-HOCLYGCPSA-N 438.500 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccnc1OCCOC 1740555365 HBZIRQJTHKIBOT-SFHVURJKSA-N 445.527 2.443 30 10 IEEE C#CCCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740578675 LOROACLOKPEWEL-DNVFCKCGSA-N 429.565 2.370 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740579330 MXDOMJRPYAPXOD-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1740621239 JOWFQDIZFVDVSE-AOIWGVFYSA-N 430.578 2.132 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cccn2)CC1 1740700847 KMZODZMPGNXFKP-WOJBJXKFSA-N 425.581 2.239 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740721538 LXOFNVOANFLUIZ-QFIPXVFZSA-N 439.541 2.091 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740992491 HLECRFGRCWOCHC-MOPGFXCFSA-N 431.562 2.013 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCNC(=O)C1CCC1 1741699273 NOIJXSBIEXBYSZ-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2ccn(C)n2)CCOC1 1741727383 KKSDGNMSOWOBSM-YADHBBJMSA-N 427.553 2.425 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1745781644 YTRGJQKCRGKULQ-LJQANCHMSA-N 432.532 2.460 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)C[C@@H]1C 1746441745 APXRQMOXJXYMAX-SFHVURJKSA-N 434.548 2.238 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1747869188 FFWQHTUUQJXFBN-ICSRJNTNSA-N 427.505 2.007 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(CC)CC 1748665921 XGHFZYGIMHMFPA-KRWDZBQOSA-N 431.610 2.428 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@](C)(O)CCOC 1748800239 UDLBDFWACSPZKE-IBGZPJMESA-N 437.338 2.477 30 10 IEEE COc1ccc(F)cc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1748846377 LPYIFVKWAWYCBQ-GCJKJVERSA-N 445.495 2.243 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(OC)c(OC)c1OC 1748886299 DOIMKMQTSYVKRT-UHFFFAOYSA-N 432.484 2.272 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1748906828 YUEBCHMPLNKZQR-SJLPKXTDSA-N 445.589 2.477 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(F)c2)CC1 1748994706 NZXXDQXKPODARQ-UHFFFAOYSA-N 437.523 2.113 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC 1749061020 IMGHWDZSGBNACV-OAQYLSRUSA-N 430.530 2.143 30 10 IEEE C=C(Br)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1749112632 NGJVUDXIPUBMDU-UHFFFAOYSA-N 425.331 2.005 30 10 IEEE COC1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CC1 1749150758 YIHJPYZLPXWSRQ-UHFFFAOYSA-N 446.577 2.007 30 10 IEEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749252401 ABPVWEGTERKCCT-QGZVFWFLSA-N 427.896 2.039 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749366943 NGYFOLSALXEZHX-IBGZPJMESA-N 430.597 2.129 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749450783 TUUHUQWSGSDDRG-UHFFFAOYSA-N 447.971 2.384 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750468960 UGDKBOAJRGHOGV-XANXLALBSA-N 442.564 2.398 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1750745299 JWHHUASISLSYCC-UNEBPCJRSA-N 438.536 2.078 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncnn2C(C)(C)C)CCOC1 1751019037 SEXKOXQLBNMDRD-NHCUHLMSSA-N 446.531 2.155 30 10 IEEE C[C@@H]1CN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1752402955 HJZOUOHSGUDVKQ-IEBWSBKVSA-N 430.578 2.160 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760245049 PCUVXWWTTCLBSB-SIKLNZKXSA-N 441.488 2.277 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1760260127 WFVAUZNUOFQEFV-FGZHOGPDSA-N 428.625 2.439 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@H]1C 1760325105 OXTGQHYYIAJHAE-MDZRGWNJSA-N 431.562 2.476 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1760462696 HJNOTFUAFSFRGH-VGOFRKELSA-N 434.585 2.081 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CN(C)C2=O)C1 1760542915 LKZCWTLLTZRNOQ-OYHNWAKOSA-N 431.487 2.407 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1761544674 ITECJXRJFUDVPS-YLJYHZDGSA-N 448.618 2.484 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1761997720 AXPLDSJFFXGKRM-DBVUQKKJSA-N 437.548 2.482 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1767012819 FRJLOJABTPQWBX-HKBQPEDESA-N 442.589 2.469 30 10 IEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2n[nH]c(C)n2)cc(OC)c1OC 1768254737 FMWJCBSQQCUPOP-ZDUSSCGKSA-N 440.508 2.379 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769214866 YNVWOWFGQDHBRG-IEBWSBKVSA-N 425.537 2.048 30 10 IEEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N)OC 1769236374 YIDXENWHGIDCJW-OCCSQVGLSA-N 425.331 2.303 30 10 IEEE COC[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)OC 1769246262 GJBKDHIKSHSHFR-OYHNWAKOSA-N 437.504 2.385 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(SC)CCN(C)CC1 1770178152 YTSFNYXQBMYTED-BZSNNMDCSA-N 436.626 2.425 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)OC 1770760715 CZDRMEMJVUVOAT-KPDCDPCYSA-N 441.532 2.252 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1cc2n(n1)CCC[C@@H]2N1CCOCC1 1852734893 YIINXDCPFBDJDN-YOEHRIQHSA-N 443.939 2.298 30 10 IEEE O=C(c1nnn2c1CO[C@@H](c1ccccc1)C2)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852996650 PEAPUXCQLDHYEH-CYBMUJFWSA-N 443.407 2.034 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCC[C@@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)cc1 1854264343 ARNLTMZRWZTUIC-HXUWFJFHSA-N 425.920 2.490 30 10 IEEE C=C1CCCN([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C2=O)CC1 1855162439 LEJNEMMEHOQTEN-FQEVSTJZSA-N 434.558 2.419 30 10 IEEE C=CCC[C@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)CC3)C1 1855313296 IGNXOGDORVBZOF-KXBFYZLASA-N 436.530 2.041 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cc(Cl)ccn4)C(=O)C3)C2)s1 1856381360 XMPYLWPLQCQFKC-HNNXBMFYSA-N 429.933 2.227 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(SCC)cc2)C1)[C@H]1CCN(C)C1=O 1857285813 WGWCJDOEAASRKA-ICSRJNTNSA-N 429.586 2.435 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862694464 KMMDBJHJOIKKOH-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN(C)Cc2ccccc2)cc1=O 1870562509 JVNHPXYZYAFWSH-UHFFFAOYSA-N 425.510 2.188 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(F)cc1F 1874433707 UEWNEYGMHFTBCF-KTZMUZOWSA-N 448.455 2.076 30 10 IEEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1 1874434853 ARBIQOOYQPYSAH-LSHDLFTRSA-N 433.534 2.486 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)CC2=O)cc1OC 1889648543 HTLXUWAXYQRZPX-FUHWJXTLSA-N 436.468 2.003 30 10 IEEE C/C1=C/CC(C)(C)/C=C/C[C@]2(C)O[C@H]3O[C@@]4(C(=O)O)O[C@@](C[C@@H]2C[C@@H]1O)(C3=O)[C@]1(C)O[C@@H]41 2060544140 INBKHVOJSUKTRK-IXVWZAMPSA-N 448.512 2.488 30 10 IEEE C=CCn1ncc(NC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2172854117 OITBJZHTCWUMIH-OBJOEFQTSA-N 443.342 2.268 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229116814 RPCHDWBDINUFRU-HOCLYGCPSA-N 425.323 2.385 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1Br)C(=O)O 2237396941 TZVKZCJKDPBTBW-GJZGRUSLSA-N 439.306 2.478 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243417591 QHEJIXWVJJPVBU-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE Cc1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247836668 GHMFMQMIIDVECD-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE C[C@@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247882796 UYPROKJAWSDLNV-AWEZNQCLSA-N 440.371 2.177 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C)B1OC(C)(C)C(C)(C)O1 2247904427 OGPFRPLYFPEQIV-OLZOCXBDSA-N 440.293 2.035 30 10 IEEE C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248403292 FPHSUUQHDKLXFE-WFASDCNBSA-N 440.371 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254790076 HLFOGNKUIAAEGI-RDJZCZTQSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255707107 RRBRETWZKOASHZ-UHFFFAOYSA-N 438.330 2.240 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2259933013 ICVDJOMTVYAGKH-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014122 UCPRDUAKPRBNHR-TZMCWYRMSA-N 444.259 2.498 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267132357 OOMQUTOWGRXZBT-HZPDHXFCSA-N 448.373 2.285 30 10 IEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(Cc2ccccc2)C1 2267176509 ARNJELXLAPMUMT-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CCn1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267185381 UPCSRRPPNBMEMU-OAHLLOKOSA-N 448.373 2.235 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N[C@H]3CCOC[C@H]3OCc3ccccc3)c2)OC1(C)C 2267280884 RMTCZVJICXCFCS-LEWJYISDSA-N 438.333 2.485 30 10 IEEE CCn1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267484644 BMTNVDBIRSQCPP-GJZGRUSLSA-N 448.373 2.330 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267503563 FXNARHMJZDMQGR-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528397 DLVMWPUHRGBXCB-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H]2COC[C@H]12 2268994675 XKDIFBQZRRDMSA-OIISXLGYSA-N 449.332 2.248 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296135805 BMZAYSUMBLYOAK-OAQYLSRUSA-N 437.496 2.234 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203408 XNKWFNRUZNRDOR-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE COc1cc(/C=N/Nc2nnc(SCc3nnc(C(C)C)o3)n2N)cc(OC)c1OC 20920219 WHMQMQXXHFTRNG-DNTJNYDQSA-N 448.509 2.262 30 10 IEEE N#Cc1c(CCCNC(=O)NC[C@@H]2COc3ccccc3O2)nn(-c2ccccc2)c1N 31047540 PULLJCXOTXYUGE-QGZVFWFLSA-N 432.484 2.398 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)NCCc1ccccc1 58997399 IVJYTGHUCFFRBL-SRZZPIQSSA-N 441.473 2.316 30 10 IEEE C[N+](C)(CCN1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O)CC(N)=O 104754837 NKQOYDGTAIUCLY-CBJLPSGESA-O 432.544 2.287 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCN(C)C)cc1O 170112027 ISXXAFIBTIQJCL-OAQYLSRUSA-N 438.480 2.476 30 10 IEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)c1ccccc1)c1ccccc1O 254865884 QDPSOOIGEPAXSZ-QGZVFWFLSA-N 434.456 2.111 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)CC1 426220226 NTDZOVNKLIASCG-KXFMEKLHSA-N 434.540 2.451 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)cc1 434449209 WGFYBNKXLSJZBV-UHFFFAOYSA-N 443.529 2.066 30 10 IEEE N#Cc1cccc(N2CCN(C[C@@H](O)COc3cc(F)cc(Br)c3)CC2)n1 439460468 XYVNCZRTIIWBLK-QGZVFWFLSA-N 435.297 2.417 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCNC(=O)c2cccc(Br)c2)ccc1F 488723548 ILFNLSCBOMDAIK-UHFFFAOYSA-N 426.267 2.168 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 502166356 ADZMZKCNZFVXFB-PKOBYXMFSA-N 434.562 2.340 30 10 IEEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 503420138 RGTUWXQPROBLAI-XCLFUZPHSA-N 435.502 2.018 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 503426500 HNYZCZAKXWFMJF-IBGZPJMESA-N 425.482 2.467 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 504451086 OUEYJTFPXGQLJK-HRAATJIYSA-N 444.495 2.151 30 10 IEEE CN(C(=O)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1)C1CCCCC1 506198096 FMCDNRXZWGAYLC-QHCPKHFHSA-N 434.581 2.183 30 10 IEEE C[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(S(N)(=O)=O)cc1 679935004 YJWIBFJEAXUNNC-AWEZNQCLSA-N 439.459 2.171 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 730572660 NTINEQBJUKZBCL-AWEZNQCLSA-N 430.960 2.275 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732649962 DHFJHHGTJIIYPE-KRWDZBQOSA-N 436.965 2.327 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 735116198 CMLOPIKSLBBRJB-QOCHGBHMSA-N 425.391 2.452 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccn1CC(C)C 741710465 IJEWXNKNEUUUKG-KRWDZBQOSA-N 431.562 2.453 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCSc2nc3ccccc3c(=O)n2CCCO)cc1 748449133 ISTUWOVYCUARSR-UHFFFAOYSA-N 429.523 2.217 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1F 750035149 BRSGQDZFZBZKMM-UHFFFAOYSA-N 434.445 2.440 30 10 IEEE C[C@@H](C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 752615495 QBWRHLSSAMUKEB-DYVFJYSZSA-N 447.538 2.322 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1noc(-c2ccccc2)n1 753148200 JWVGCGNGFQHTSE-UHFFFAOYSA-N 426.454 2.299 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(=O)[nH]c21 754707983 ZELWIJJTVKTTEU-AQKVLALTSA-N 444.495 2.108 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)ncn2)cc1 756867844 LNJDJBBENYHNSU-IBGZPJMESA-N 440.573 2.293 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)C(=O)O 757361042 NYSMHEOTWDCSIB-RDPSFJRHSA-N 438.480 2.422 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 760415188 SNSUWPUXXIVJKQ-UHFFFAOYSA-N 432.569 2.460 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1C 762312587 MHMUTFQZFDHKLD-NRFANRHFSA-N 427.526 2.396 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cn2)C1=O 763213796 VCCJNASMQCLNNI-SFHVURJKSA-N 429.521 2.420 30 10 IEEE CN(CC(F)(F)F)C(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768046036 CGPGCTZSOGPYOG-UHFFFAOYSA-N 427.248 2.009 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)NC2(CCCCC2)C1=O 769717068 VCJNUPHFCFQJEI-UHFFFAOYSA-N 436.262 2.489 30 10 IEEE Cc1ccsc1[C@H](CO)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 771240401 QCMMNBFOUFBNIY-CVEARBPZSA-N 435.571 2.360 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC(F)F)cc3)c2=O)c1 776752317 IQJVSFWMIMVVDB-UHFFFAOYSA-N 440.431 2.239 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CC1 793194066 FMAIXURKXPSJBR-HKUYNNGSSA-N 428.514 2.317 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 809210271 QESYCSWSGKLFCI-OXQOHEQNSA-N 429.583 2.215 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1)C1CC1 814704982 STDPNEFIWBRXQN-MOPGFXCFSA-N 432.590 2.419 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)n1 856707442 QEQISPCVIDDUKM-HSZRJFAPSA-N 439.516 2.255 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)cn1 1084324270 DMUGPWGVXKXLBS-UHFFFAOYSA-N 426.506 2.050 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2cc(Br)ccc2n1 1134645697 SCQPIYJIBBGYLF-KPZWWZAWSA-N 434.315 2.316 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 1136621559 ZTDINLCIJAARLJ-HNNXBMFYSA-N 438.912 2.266 30 10 IEEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1c(Cl)cccc1Cl 1136630077 GGFHNJXZLBFLJT-CABCVRRESA-N 437.258 2.487 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1158294738 DWPZCYFFAXHJSL-LJQANCHMSA-N 429.498 2.421 30 10 IEEE CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)C[C@@H](O)CC1(C#N)CC1 1193486231 YGVKEKLEGXANIB-HNNXBMFYSA-N 445.379 2.359 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286336645 MJFJBKAAYUBBCK-UHFFFAOYSA-N 438.576 2.179 30 10 IEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1286388835 VVFVOQVBHXJFFP-SFHVURJKSA-N 439.541 2.157 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)C(C)C 1286416907 ZPBHVUXVTXTVNE-SANMLTNESA-N 448.615 2.123 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1286475835 HXRIOHVDJLOJHC-MHECFPHRSA-N 439.560 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2c(CC)nn(C)c2OC)CC1 1286476415 XDKPRLXQBMNLPK-UHFFFAOYSA-N 449.559 2.062 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1286569633 WDDQKTCFUKJHSO-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286650838 KUYGJRSRFRPZCZ-FSSWDIPSSA-N 446.640 2.432 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286703987 VZFVAPZFVNVKHR-KRWDZBQOSA-N 448.568 2.097 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1286714587 SZKKRTZAGSALQD-UHFFFAOYSA-N 441.580 2.181 30 10 IEEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1286829117 DGFJRCWTYGGNQK-UHFFFAOYSA-N 428.606 2.431 30 10 IEEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1288376431 NQFONZQLVJMQFH-UHFFFAOYSA-N 433.516 2.288 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1288516786 DKYPFYBCUOPJCL-INIZCTEOSA-N 438.536 2.277 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCCO1 1291279147 JERZFDJWLFOHKC-JTSKRJEESA-N 427.505 2.149 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CCN1CCOC 1293539818 AOQHXLOCVMGIAV-OAQYLSRUSA-N 448.575 2.454 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCOC1 1296525144 ALWFOTYRGIQEHO-ZOCZFRKYSA-N 436.557 2.439 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300391899 VIGLKPFVALRWQQ-HNNXBMFYSA-N 427.505 2.086 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C)C(=O)C1 1300393975 KSMQXECCYDOHOS-UHFFFAOYSA-N 432.322 2.408 30 10 IEEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300398825 AUSAVZCAWBXBAR-QGZVFWFLSA-N 426.908 2.485 30 10 IEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CSC1 1300608258 XGBIHQQABNODSY-OKILXGFUSA-N 442.990 2.329 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C)C1 1301568399 GCNKEUMOJDWVDR-JKSUJKDBSA-N 438.525 2.383 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C#N)o2)CC1 1302475150 JFJKMRPUIMKYFA-UHFFFAOYSA-N 446.920 2.193 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CCN(CCC#N)CC3)ccc2NC1=O 1302597713 WVQJMOSFVIJBIO-LJQANCHMSA-N 441.532 2.136 30 10 IEEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1302876333 ZLKPFRPLQMXOEV-BPQIPLTHSA-N 445.568 2.219 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)s1 1303394242 FBGCFSONPAWBBX-AAEUAGOBSA-N 426.482 2.371 30 10 IEEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCOCC1 1305274270 HYASRNJOOJJZNE-UHFFFAOYSA-N 445.585 2.403 30 10 IEEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc(C2CC2)n1 1306909733 GIKDGHDELJQNLR-UHFFFAOYSA-N 448.346 2.499 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1312354052 RBGSVOMVMHHDML-FQEVSTJZSA-N 429.583 2.410 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315811473 HALLHNKKGINKKU-SJLPKXTDSA-N 444.511 2.123 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2sccc2-n2ccnn2)c1 1355668662 ILQYVFLIXHZKDO-PGMHBOJBSA-N 430.515 2.394 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1358972951 YRKMTQWQGDXGIC-HXUWFJFHSA-N 438.482 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(Cc2ccccc2)CC1 1358984989 MHGMFRXEUYAPQE-LJQANCHMSA-N 439.585 2.374 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNC(=O)C(C)C 1358994119 FTBUJKJOVCGJNI-NRFANRHFSA-N 435.528 2.416 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1358997856 HCYQIQPAZRRJLJ-UHFFFAOYSA-N 435.862 2.355 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(OC)CCC2)CC1 1359038859 NGBUVZLKFDCYLM-UHFFFAOYSA-N 434.544 2.443 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359080750 CJQOXIRPKZWMJF-MRXNPFEDSA-N 435.370 2.493 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1359107777 UWKQJZIHLPSTNK-CQSZACIVSA-N 438.529 2.069 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNS(C)(=O)=O)CC1 1359161597 KCLUBUIEIZBSKF-UHFFFAOYSA-N 440.367 2.413 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1359231858 HPFADAUBIADWCS-QHCPKHFHSA-N 442.564 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359328434 DGEFIMZDOXCESP-AWEZNQCLSA-N 434.440 2.215 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359329135 ZRYUDLCYYXMVMF-OXQOHEQNSA-N 441.557 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCCOC1 1359335624 QDIUZCDRYSACJO-UKRRQHHQSA-N 442.492 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccs2)CC1 1359336602 VXCJACDPRCLFQE-MRXNPFEDSA-N 437.591 2.119 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C 1452936725 QVNPVUMSYBQZKW-SJORKVTESA-N 437.581 2.016 30 10 IEEE CCS(=O)(=O)N[C@H](C)C(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1455335966 VTARJFBTLWALLL-CQSZACIVSA-N 432.351 2.405 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](c4ncccn4)C3)CC2)cc1 1455864440 FJAYGPCDDMURMO-IBGZPJMESA-N 439.541 2.155 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 1465187553 UKJADIUTJLPNIU-UHFFFAOYSA-N 428.436 2.468 30 10 IEEE CC(C)(C)n1cc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(O)nc1=O 1478901335 JUKORGYSBQDKDK-UHFFFAOYSA-N 438.532 2.039 30 10 IEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)c1 1492627503 AQLBUTIOMGHITE-UHFFFAOYSA-N 448.531 2.026 30 10 IEEE CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1500458401 MAWCIJVLQISRGP-IRXDYDNUSA-N 428.541 2.179 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1504600658 ZNQBYWSBKYGGKY-IBGZPJMESA-N 439.495 2.420 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1504888327 OCMHYDXBULEAIS-SJORKVTESA-N 444.502 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1507673751 ZYOMXYPTBZUBOJ-RUZDIDTESA-N 442.523 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCn1cncn1 1507705506 DYRCZFTZLWHWIM-UHFFFAOYSA-N 430.310 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(NC(N)=O)cc2)CC1 1507735737 GCXNXXOXRVUNEB-INIZCTEOSA-N 437.548 2.296 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](COCCOC)C1 1507858578 OEPOEZRKYNLSBY-INIZCTEOSA-N 444.927 2.163 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1507897175 NLPVDMAJMRIDFI-OAGGEKHMSA-N 425.599 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1508083752 BZHWJWMLOFFFPT-UHFFFAOYSA-N 440.939 2.258 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1508092500 ZHQWGLAGDPNLTN-HUUCEWRRSA-N 431.459 2.370 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511105666 CMWQDQQGRGLWJM-XDOYNYLZSA-N 446.515 2.305 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2ccc(C#N)o2)CCOC1 1516230179 QXQDFNLUBCJCDY-QAPCUYQASA-N 441.410 2.211 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)Cc2ccccc2)C1 1521069688 RJHQLWRRSFATEY-XLIONFOSSA-N 433.509 2.187 30 10 IEEE C=C(C)COCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1525655568 QOIHNVDGLUCNKK-NRFANRHFSA-N 428.526 2.043 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2sc([C@H]3CCOC3)nc2C)c1 1528411372 DBYFVDOZRRMOCA-SFHVURJKSA-N 439.537 2.442 30 10 IEEE COC(=O)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(C)c1 1536383510 IDLRJXGKVXVBKC-PMACEKPBSA-N 448.479 2.492 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2=O)cc1 1536662406 CLBHRSRSJMLGJX-DENIHFKCSA-N 432.480 2.470 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1OC 1537844865 PAJVVIDFXZHSMP-HNAYVOBHSA-N 436.468 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCCC1 1539026389 VCZLLBIBYMJKOP-NRFANRHFSA-N 436.604 2.406 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCNC(C)=O)c1 1539039381 AYWZRNPHSSXPBL-UHFFFAOYSA-N 445.527 2.231 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1539058148 BOEKIAXPFHZLRD-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1539089879 UTDDNEDYZDBJDD-UHFFFAOYSA-N 434.548 2.203 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1 1539179480 OSYUYYMEADXZCM-SFHVURJKSA-N 426.521 2.294 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539219191 GZWCHPFPHUIPTO-INIZCTEOSA-N 438.985 2.044 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCOC[C@H]1OC 1539332555 VLCVJDVBAIGSJM-PZJWPPBQSA-N 432.528 2.031 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1539427351 BRZMCBIGFVWCKF-WMZHIEFXSA-N 430.597 2.299 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1539823615 GCYAWNFARFTTKY-NVXWUHKLSA-N 425.961 2.244 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1539902548 KBGBYBUNWNNSRJ-KRWDZBQOSA-N 426.631 2.411 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(C)C 1540148556 YTAGSTKKCGBKPN-CVDCTZTESA-N 443.596 2.100 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1540175452 ZEBXRFWJTJUGCT-UHFFFAOYSA-N 428.581 2.224 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1540893371 BJGSDTQKEAWHEO-OALUTQOASA-N 431.562 2.013 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)C1 1541031560 ACHZRSAIWBIQHV-SFHVURJKSA-N 449.481 2.416 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1541284938 VYEDJIGLJNNXAT-LJQANCHMSA-N 432.532 2.316 30 10 IEEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1541861123 IBKUFNMAXPQFDA-IBGZPJMESA-N 430.560 2.412 30 10 IEEE C#CCN(C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)[C@H]1CCS(=O)(=O)C1 1543463288 UMFLNWBUGHFBAQ-ZDUSSCGKSA-N 427.404 2.238 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1548275536 DOQGBIQLJBRJNC-UHFFFAOYSA-N 428.493 2.044 30 10 IEEE CCOCC(=O)N1CCC2(CC1)C[C@H](C(N)=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548379572 DYMDAMJMUHWULZ-QGZVFWFLSA-N 438.450 2.286 30 10 IEEE COCCOC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1555706858 CCTFQHJUEJQUAB-UHFFFAOYSA-N 439.520 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@H]([C@@H]4COC(C)(C)O4)C3)C2)C1 1558222465 OZKZREDJNZVIFT-BMGOBEIKSA-N 449.548 2.152 30 10 IEEE C#CCC1(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CCOCC1 1561938368 POYLDLLIMMPQNP-UHFFFAOYSA-N 440.587 2.102 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)s1 1568502118 OHAZTUCNDAWFMH-OAHLLOKOSA-N 432.926 2.397 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)CC1 1568995638 XVKXOFQXOZJEJJ-UONOGXRCSA-N 429.473 2.217 30 10 IEEE C=CCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OCC 1569184052 IMJCGWKHXZWLNC-HNNXBMFYSA-N 426.535 2.400 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1585215230 CWURRIUJVIVNOI-OAQYLSRUSA-N 435.546 2.228 30 10 IEEE Cc1nc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1-c1ccccc1 1587972479 TZQBIXRZFJODKX-GOSISDBHSA-N 429.440 2.291 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588039910 GAHRNNVBYHKVKS-ICSRJNTNSA-N 444.557 2.150 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588059142 JLXQUPFANZHCHH-KRWDZBQOSA-N 444.605 2.003 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589528952 JWVWIGMBHMWOBN-SCTDSRPQSA-N 433.578 2.499 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)CC1 1589558513 LFQYXOLHUYVYEX-UNMCSNQZSA-N 426.565 2.014 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1594456093 XUZVWQATDYLDML-BBWFWOEESA-N 425.599 2.353 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1594992461 INDZVRIUKZPBEZ-INIZCTEOSA-N 427.475 2.025 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCC)C1 1595466223 GQFGZVIGBLUVOO-LJQANCHMSA-N 440.548 2.455 30 10 IEEE CC(=O)N1CCN(CCn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)CC1 1596296099 AYEFQSMGUIMUKI-UHFFFAOYSA-N 427.597 2.305 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1Br 1597704944 JGXXZUHMNJQVCY-INIZCTEOSA-N 448.342 2.468 30 10 IEEE C=CC[C@]1(C(=O)Nc2ccn(CCN3CCNC3=O)n2)CCCN1C(=O)OC(C)(C)C 1611031768 UDDFATWBGNMIPZ-OAQYLSRUSA-N 432.525 2.193 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(F)cc2)N(C)[C@H]1C 1613902925 ZHPKDOHLHNPQCH-IYRISPCOSA-N 430.523 2.261 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1614027775 DGPQRWZTSGRNCF-JGCGQSQUSA-N 449.584 2.361 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn3c(n2)COCC3)CC1 1616674945 GKDALXCXNDEMAM-KRWDZBQOSA-N 430.306 2.198 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)COCCO2)cc(OC)c1OC 1619071545 CZAONYXYTYBLFR-QRQCRPRQSA-N 445.520 2.372 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CNC2(c3cccc(C#N)c3)CCOCC2)CCC1 1620430208 OOKDUFJNEOYKLI-IBGZPJMESA-N 435.590 2.155 30 10 IEEE C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1C(=O)OC(C)(C)C 1626995485 PQAQNNVPRBBAFY-YJBOKZPZSA-N 435.546 2.461 30 10 IEEE Cc1cc(S(N)(=O)=O)cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1C 1628141546 BDYOQHFHTPOEFU-UHFFFAOYSA-N 426.542 2.217 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 1632166615 IOEJTKPVTAMOIU-JOCHJYFZSA-N 436.533 2.329 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1635273707 FMGPXKQGPTZEKE-JKSUJKDBSA-N 425.526 2.045 30 10 IEEE CN1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 1635474893 FIPFWIPOVADMTH-SFHVURJKSA-N 443.548 2.334 30 10 IEEE Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1638272811 DVEXWPMUHLCVQA-BSLALVQMSA-N 438.553 2.368 30 10 IEEE Cc1ccc(C(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)cc1S(=O)(=O)NCC#N 1640542600 XZPADUOVBIZAAR-GOSISDBHSA-N 435.452 2.289 30 10 IEEE COc1cc2c(cc1OC)C1(CCC1)N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)CC2 1645580378 PANHOQISYVEQFY-QURGRASLSA-N 425.485 2.384 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCC3(CC1)CC(=O)C=CO3)N2C(=O)OC(C)(C)C 1652930232 YKTXQLHYYYTLNF-XLAORIBOSA-N 448.516 2.038 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)CO 1654816645 AKEKHPWKASZFGL-INIZCTEOSA-N 432.439 2.117 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)nn1 1655733051 SKDICQCARNWMCA-UHFFFAOYSA-N 448.686 2.205 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 1683109595 FEPFGSZFNHUTQQ-QFIPXVFZSA-N 429.590 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(CS(C)(=O)=O)CC1 1690021156 JQKKBEZAPUCWFN-UHFFFAOYSA-N 432.496 2.045 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1690228620 BCCRWKGHEGESHW-CQSZACIVSA-N 428.356 2.219 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1690573918 IGUCQAZKJMAWAQ-VXKWHMMOSA-N 447.605 2.251 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C 1690602357 NMGGZIUXCORBPG-UHFFFAOYSA-N 436.516 2.329 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)OC(C)(C)C)C1 1690684476 GMHMCIOEQLUPDM-QGZVFWFLSA-N 448.568 2.210 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705535210 FBDHGRYLWFLJKV-UHFFFAOYSA-N 445.589 2.151 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1705631969 FISYGMVDSBHOIK-ROUUACIJSA-N 430.597 2.155 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1705639452 OPXBZVKUEUBEKR-UHFFFAOYSA-N 427.574 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705650069 KRDKDBLSKJTAPH-SFHVURJKSA-N 435.519 2.401 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705664438 PBKNLIMRVUICDF-LJQANCHMSA-N 443.621 2.249 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOC2=O)C1 1705919855 LYBOBHMJGHYMBT-GOSISDBHSA-N 442.476 2.477 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(C)C)C2)C1 1705929580 SZJRZCUAMOQXPH-WOJBJXKFSA-N 430.597 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705931885 DRENVFJSECWTLB-AWEZNQCLSA-N 447.483 2.422 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1cccc(Cl)c1 1706900902 RCIGXHXPUDFOIE-FPDPHYFHSA-N 431.924 2.462 30 10 IEEE CN(CCCc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1711191931 OILIFNZBRGYOCJ-UHFFFAOYSA-N 443.515 2.370 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccc(C(F)F)n2)CCO1 1712883606 SZWSWWAGLMFQQH-CQSZACIVSA-N 442.386 2.358 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722311866 MDZTVHKKFBFDMH-UHFFFAOYSA-N 436.969 2.315 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722358789 GFEYQSPRTNQNHT-KRWDZBQOSA-N 425.514 2.225 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1722412110 VMPKNFSCRXRWPD-HXUWFJFHSA-N 429.590 2.140 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1722415045 IKYZHQOSCYBWDE-SFHVURJKSA-N 427.530 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722730319 ONKPAJZJDJOOPU-UHFFFAOYSA-N 442.545 2.117 30 10 IEEE CC(C)(C)N1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722966932 KLNYCMAHKYTSSY-VZCXRCSSSA-N 441.580 2.383 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC(=O)N1CCOCC1 1740604208 ASYIXCSZTSXYLQ-UHFFFAOYSA-N 446.349 2.334 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1740628530 YNJMKUBUDGOSFE-ROUUACIJSA-N 438.594 2.004 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1740629054 ZJQZERWOSFZVGC-MRXNPFEDSA-N 438.912 2.375 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1740963278 GGYXBMWUUHDBRF-UHFFFAOYSA-N 436.516 2.038 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1741802427 IGNLQVDHGJZMQX-PKOBYXMFSA-N 440.548 2.426 30 10 IEEE CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C)(C#N)CC2)c1=O 1746366619 XIQJKKJOSCRFQR-QGZVFWFLSA-N 428.537 2.362 30 10 IEEE COc1ccc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1748792153 ZKAAUTVXDGFLFV-DQRAZIAOSA-N 436.516 2.402 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1748987138 QBWBKYATFJMJGN-OAQYLSRUSA-N 444.587 2.401 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749033974 TUHFCUSNWQMYSK-UHFFFAOYSA-N 430.622 2.047 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749355043 FBJQVDAPECYBNC-IRXDYDNUSA-N 427.440 2.071 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749671439 AOQCJQDLQVLFQR-RTBURBONSA-N 445.951 2.209 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccccc21 1749738008 CAEPYCJMCVQTFD-UHFFFAOYSA-N 426.546 2.435 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750468957 UGDKBOAJRGHOGV-AUSANRGPSA-N 442.564 2.398 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1760098934 XTNWUUGMHXXKKA-CVEARBPZSA-N 435.525 2.051 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760111646 QEDURXINJHCCMK-QRQCRPRQSA-N 438.557 2.001 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760245720 CJVOLIQSKXNHON-OALUTQOASA-N 426.565 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccn(C)n2)CC1 1760267868 DHEAEDUYEHNFHH-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)C)CC1 1760314815 ZIFMVVRNAMJMJE-UYAOXDASSA-N 430.597 2.462 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760447900 UFKOVTPGUHGWFS-UHFFFAOYSA-N 429.546 2.423 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCc1ccccc1 1761495512 VFEYEPFWCLUMCU-DYESRHJHSA-N 446.577 2.235 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCN1CC 1766335746 KGHURFAJKDGHJQ-GOSISDBHSA-N 425.537 2.224 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)F 1767063318 AYNZLWFSRFDVMP-INIZCTEOSA-N 439.488 2.318 30 10 IEEE CCOC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1767321328 DIFFCIBAISQJTE-KRWDZBQOSA-N 446.939 2.405 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccccc1F 1767942313 CRQNDRNFOPATFO-MRXNPFEDSA-N 436.495 2.379 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CC1 1769477093 AJDHWAPFRFVXSM-UHFFFAOYSA-N 449.519 2.100 30 10 IEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c(OC)n1 1770206559 IPRBILLFQOEPHF-BEFAXECRSA-N 434.500 2.484 30 10 IEEE C=CCN(C(=O)CSCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ncccn1 1851628612 GZPGWFARCQKPFR-UHFFFAOYSA-N 429.521 2.217 30 10 IEEE C[C@@H]1CC(=NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)NN1c1ccc(Cl)cn1 1852496115 ZXFCNESOJKMALA-GFCCVEGCSA-N 441.875 2.264 30 10 IEEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855019700 VEJSYXWPKCGCFA-HOCLYGCPSA-N 439.343 2.419 30 10 IEEE COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)CCc3ccc(C#N)cc3)CO2)cc1F 1855471930 UZOTWIXOEQQOPF-INIZCTEOSA-N 434.445 2.186 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1861599899 NEZRSTVNRVKSOS-VSKRKVRLSA-N 443.588 2.474 30 10 IEEE O=C(CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(O)c(O)c1)NCc1ccco1 1874446941 OJFNILQTPFMBRZ-KQFRHJRUSA-N 443.485 2.425 30 10 IEEE COc1cc(Br)cc(/C=N/n2c(SCC(N)=O)nnc2C2CC2)c1O 1874518660 DFPYPOPKVVLDTM-NGYBGAFCSA-N 426.296 2.092 30 10 IEEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891415818 YPRNHFPYNZSZRG-SFHVURJKSA-N 445.479 2.439 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1891758152 NEEWMGGNVOZZTA-QGZVFWFLSA-N 447.495 2.162 30 10 IEEE C[C@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)N(c1ccccc1)S(C)(=O)=O 1892167005 HIEGJQJCMAERIY-QGZVFWFLSA-N 442.541 2.425 30 10 IEEE C=CCC1(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1993245787 HVLRTPWIISVHTC-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2063955346 ZMGPKXHNGRHCPQ-PCCBWWKXSA-N 442.560 2.495 30 10 IEEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778553 RBAGSHQUHJNOIU-VXGBXAGGSA-N 445.188 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2221947475 KLKSEENGAUYPND-IUKKYPGJSA-N 443.500 2.154 30 10 IEEE C=C(CS(=O)(=O)N(C)C[C@H](O)COCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2243426947 OBDBLERYNCFPET-SFHVURJKSA-N 425.356 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247908519 VWFFZEPFMFSTKP-CLLJXQQHSA-N 435.355 2.037 30 10 IEEE COC(=O)[C@@H](CCNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2254803899 VHFBYCPJPFVNDW-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255836265 WDFMUISZGVBBTH-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CC(CO)C1 2256676619 QLYKIOLRMSNDSV-DRCDNIGYSA-N 436.358 2.489 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267000265 VRSPAAGMNFNVBK-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267107143 JRFOMGWBJJSWCN-INIZCTEOSA-N 446.353 2.352 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267476993 GISGCRGGQGVPQB-IUODEOHRSA-N 441.259 2.052 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501828 DHHFWAAVCIPDCI-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 2267539682 SAGXLUPJCLUNQD-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268631374 XRNXOMYTVYKAGS-GOSISDBHSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@H](O)C#Cc2cccc(Br)c2)C1 2278732701 LHRGQIQNHUNLFT-HZPDHXFCSA-N 444.347 2.196 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2282176359 SEKRTDAGCNMISK-CLOONOSVSA-N 448.376 2.418 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203048 RXFIJXITOWWKMD-SFHVURJKSA-N 438.381 2.313 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc(I)ccc2Br)[C@H]2CCN1C2 2368600257 BJMIZPRATBFKSP-QWRGUYRKSA-N 446.086 2.476 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCCc1ccccc1Cl 20914744 YIDATFSQYLUWJY-FOKLQQMPSA-N 445.936 2.248 30 10 IEEE C#CCN1C(=O)[C@@H](c2c(-c3ccc(OC)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c2ccccc21 86076870 QLMHIVMAZOUJHW-GOSISDBHSA-N 440.459 2.342 30 10 IEEE CCNC(=S)N1CCN(CCNC=C2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 104819481 MJNJSQBGGGIZEC-UHFFFAOYSA-N 449.020 2.341 30 10 IEEE Cc1ccc(C2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170007132 VXNOOLYZGMXQMG-UHFFFAOYSA-N 430.508 2.070 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F)[C@H]1CCCO1 254291054 CFVLYUWEGWPWNV-MGPQQGTHSA-N 434.461 2.486 30 10 IEEE CCO[C@@H]1C[C@@](NS(=O)(=O)c2ccc(C#N)c(Br)c2)(C(=O)OC)C1(C)C 433349937 ZZWKUNMINOAAPA-RHSMWYFYSA-N 445.335 2.346 30 10 IEEE N#CC(C(=O)c1cc(F)cc(F)c1)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 446111345 ITAIKPXHBRKLSP-QGZVFWFLSA-N 442.443 2.346 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 460391555 VGPLJOCDSQLFGL-SFHVURJKSA-N 435.550 2.015 30 10 IEEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)ccc1C#N 460591892 QCUNRJBMAOIJQM-UHFFFAOYSA-N 427.404 2.180 30 10 IEEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)s1 462579138 MOYSPIHAFAZEFU-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE C=CCCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 468399372 JUPDHDHAKNKRKA-HNNXBMFYSA-N 431.352 2.065 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)ccc1Cl 477185452 JBTDDSAOTKFBFI-AWEZNQCLSA-N 428.695 2.479 30 10 IEEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc1 481015743 SPIBJYCLFJQCIO-UHFFFAOYSA-N 431.489 2.059 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481979144 GSUWEHZIANVKEH-HNNXBMFYSA-N 427.551 2.140 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)C1 484147124 OXWANUAUUDKURJ-INIZCTEOSA-N 443.529 2.476 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)ccc1F 488727656 RCYCSWMDCFYUPY-UHFFFAOYSA-N 433.490 2.315 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 508816181 GXLZXKBYAIBCKH-INIZCTEOSA-N 443.895 2.317 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@H](C2CC2)C1 508848219 MRBOWSJIHGDBKA-IBGZPJMESA-N 431.562 2.208 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 508938067 GJHPUQOCCUSKSL-SFHVURJKSA-N 447.495 2.344 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)CC1 525583473 AGKBQVDXHCQMMP-UHFFFAOYSA-N 425.533 2.385 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c2ccccc21 535468234 IIIJGVAJBBMRPO-MOPGFXCFSA-N 446.463 2.457 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CS(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 543281126 DYDGNKSLIACZBQ-UHFFFAOYSA-N 446.525 2.447 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 544835250 FQVRNGCNMYAIBJ-HXUWFJFHSA-N 433.512 2.305 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2nccc3ccccc23)c1=O 607141237 HGVXJLANROSZOT-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(C(C)C)c3)c2CCC)CC1 607621682 NOOBIMNQSKFGPA-UHFFFAOYSA-N 438.576 2.403 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(-c2ccccc2C#N)c1=O 671654183 YFBLPGDCOGHIHH-UHFFFAOYSA-N 443.532 2.075 30 10 IEEE O=C(CN1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1)N1CCOCC1 675567079 RAFJBEZHZQFKKF-UHFFFAOYSA-N 438.553 2.156 30 10 IEEE Cc1ccc(C#CCCO)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703981688 UFWJEKHEHGQTBI-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCc2ccc(OCC#N)cc2)C1 733424239 AUZBCBOAKNOJRW-KRWDZBQOSA-N 433.486 2.338 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 734293650 GRHYWJXOCXDTDL-UHFFFAOYSA-N 427.482 2.416 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1 734461739 LLPOISKCIDLOCB-UHFFFAOYSA-N 431.489 2.324 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)cn1 735068742 KBDKZPVECRMWSQ-UHFFFAOYSA-N 447.564 2.026 30 10 IEEE Cc1ccc2[nH]cc(CCC(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)c2c1 746087501 GDHGUBLEWWTNIA-UHFFFAOYSA-N 435.484 2.469 30 10 IEEE Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 746207633 CZFUCEVOVDLOBJ-VXPUYCOJSA-N 428.514 2.039 30 10 IEEE C[C@@H](OC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 746625738 GGMPREZVBPQJRY-LLVKDONJSA-N 433.511 2.081 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(F)cc2C)c1=O 758078961 UGCMLYOOJFNJPY-UHFFFAOYSA-N 432.476 2.385 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c1 764079282 VGDJOXYJDKDVJV-PMACEKPBSA-N 433.480 2.052 30 10 IEEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765545881 YGCQLWYCTKHHEX-IBGZPJMESA-N 442.589 2.182 30 10 IEEE N#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)C1CC1 768179511 DWRZSGLLXXSWLR-HNNXBMFYSA-N 426.882 2.067 30 10 IEEE C#CCN(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 774207819 AYKDFSNRFNSEHD-ZWKOTPCHSA-N 441.956 2.275 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 790244410 GWNQHJHGYOREBF-SBUREZEXSA-N 434.581 2.144 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C 799598384 RBNCHNZBINRRTG-PXNSSMCTSA-N 426.473 2.122 30 10 IEEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812434656 WAZSPOXTHIYXAJ-MSOLQXFVSA-N 432.546 2.351 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(C(C)(C)C)n[nH]1 814355498 YXTPPJIEOFYOJE-AWEZNQCLSA-N 433.534 2.299 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCn3cccn3)C(=O)[C@]12C 1075946576 UZPBFEQLSCIAHU-GTUDIADOSA-N 437.452 2.055 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=C(C)c3cccnc3)n2)cc1 1084156970 XUFQTKYEQHIWOP-UHFFFAOYSA-N 425.518 2.495 30 10 IEEE CC(=NNc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N)c1ccccc1O 1084593733 JXYMNQLGTLUOSX-UHFFFAOYSA-N 429.481 2.081 30 10 IEEE Cc1ccc(C(=O)NCCN2C(=O)COc3ccccc32)cc1B1OC(C)(C)C(C)(C)O1 1136493728 LKYNIEAIQQRZQJ-UHFFFAOYSA-N 436.317 2.450 30 10 IEEE C=CC1(CC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CN(C(=O)OC(C)(C)C)C1 1136557179 VUHGDMZJUUWRJT-QFIPXVFZSA-N 442.516 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)CC1 1137567675 JLDRVPGMOJPYNG-SFHVURJKSA-N 440.500 2.026 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(I)nn2C)C1 1143720151 NZCQUAXUNAPWDA-AWEZNQCLSA-N 435.269 2.247 30 10 IEEE C=C(CCC(=O)OC)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1149080288 ZJSCDJRDKFBHRU-UHFFFAOYSA-N 439.553 2.250 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)n1ncc(C#N)c1N 1149425107 QFUUYGJXGSUGEU-ZDUSSCGKSA-N 448.357 2.384 30 10 IEEE CCO[C@H]1C[C@](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)(C(=O)OC)C1(C)C 1154490738 GZJAUMDTEWCSAA-SBUREZEXSA-N 436.549 2.500 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cnn4cccc(Br)c34)C2=O)cc1 1156591111 AFGWVIKQZGOACO-KRWDZBQOSA-N 438.285 2.499 30 10 IEEE C=CCC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1157760661 NIPLOAJXPINHNS-NSHDSACASA-N 428.860 2.471 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1196057619 RPBXEHXRLZZUGJ-QUCCMNQESA-N 435.590 2.048 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)cc1Br 1209414461 CJLIENXUFCWSRV-UHFFFAOYSA-N 430.299 2.235 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CCOCC1 1214355338 ZVBHKVUUNLAYTA-CALCHBBNSA-N 435.546 2.179 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(CO)CCc3ccccc32)cc1 1214686679 DWTSLKVVBSRMSS-QFIPXVFZSA-N 429.542 2.491 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC1 1248402421 KGZWZYFRYVRYKA-HDJSIYSDSA-N 429.464 2.312 30 10 IEEE CN(c1cccc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1)S(C)(=O)=O 1251517575 WEJBDDFFAUUAPC-UHFFFAOYSA-N 445.520 2.125 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc(OC)c1OC 1267479938 SZOIMUSACISAFD-SFHVURJKSA-N 439.468 2.179 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)nn1 1276646034 BEMNCLMPINYWJF-UHFFFAOYSA-N 427.505 2.184 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1286316106 RGBCBLYTEKVZPZ-UHFFFAOYSA-N 448.545 2.009 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286394019 SXXYBSDOSRGQIX-RBUKOAKNSA-N 447.630 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286421264 WPCLAIKYGOGAMH-MSOLQXFVSA-N 444.532 2.455 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1286455695 HYYZOKAFJJJPKC-LJQANCHMSA-N 448.502 2.493 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286593904 TWBSFCSMNPJHOT-QGZVFWFLSA-N 428.924 2.308 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(N)=O)CC1 1286604248 HJNBEJGIKOIWQA-UHFFFAOYSA-N 429.521 2.257 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286605261 UEHBIZKNJMFRME-ZDUSSCGKSA-N 437.342 2.295 30 10 IEEE C[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291050996 YUYBLJMZIFTWNK-SSMANRBRSA-N 435.532 2.415 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCC(C)(F)F 1291194714 CGHABUJLTMHNNF-GJZGRUSLSA-N 432.479 2.204 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300310670 YMHRYODPVNIIJN-GVDBMIGSSA-N 429.487 2.283 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1300428507 GVZDIRXSGWTRGI-OAQYLSRUSA-N 436.560 2.429 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1300683140 WZEVLIUOBKHZSC-PMACEKPBSA-N 443.640 2.072 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1300813883 UAWOKRSDVODOEW-JOCHJYFZSA-N 440.573 2.213 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301173892 LMYATSUIACKTAZ-OXQOHEQNSA-N 441.598 2.019 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301188456 JVZQZMLGCDZTLJ-KRWDZBQOSA-N 437.610 2.278 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1301515683 XTJWUIXYMNTZGZ-IYBDPMFKSA-N 431.562 2.498 30 10 IEEE CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C[C@H]2C1 1303071864 VOTJSNFALQGWPR-ZVDOUQERSA-N 438.528 2.329 30 10 IEEE N#Cc1cc(F)c(N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1Br 1307224863 PZGRQEGHFIPIPA-NOEPWBJOSA-N 430.299 2.083 30 10 IEEE CCN1CCCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1=O 1313918583 PWYDGVFQVQTBSK-UHFFFAOYSA-N 434.500 2.449 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1314579379 OYALAAUDVYZRAK-SSEXGKCCSA-N 426.502 2.048 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1314662397 BJOMBUDTSZHQDS-UHFFFAOYSA-N 446.559 2.061 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1316270412 WRVWUDRJGWTBNL-KNJMJIDISA-N 448.612 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1358886655 IMBMXVMGBFAKAG-ZFWWWQNUSA-N 436.438 2.266 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CC2)c1 1358902170 GRVGBXAXAHAYRD-UHFFFAOYSA-N 441.557 2.179 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962776 WSQWNBZDIXSIRL-RTWAWAEBSA-N 441.601 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cccn(CC)c1=O 1358974534 IVQHCFFAQAVLQU-UHFFFAOYSA-N 429.480 2.019 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(F)(F)CO1 1359017093 UEJUHSYBIQPSTF-DLBZAZTESA-N 433.434 2.432 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359149535 BYPDLZJMCNTXNC-QGZVFWFLSA-N 448.930 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(c2cnn(C)c2)CC1 1359330555 WBDOBOJIHUQHSE-UHFFFAOYSA-N 441.561 2.058 30 10 IEEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 1448842126 XESTZALFHROWNP-IBGZPJMESA-N 432.933 2.348 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1 1460188683 RJKOQSLGJCNZOY-GUIXVQPWSA-N 431.492 2.118 30 10 IEEE N#CCOc1ccc(CNS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)cc1 1463004361 CEVGMCZOVFIQGA-UHFFFAOYSA-N 442.266 2.068 30 10 IEEE COC(=O)c1cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)ccn1 1470603076 GXOHHZAOZBQFSF-UHFFFAOYSA-N 429.274 2.255 30 10 IEEE COc1ccc(CN(C)C(=O)Cn2cc(C#N)c(I)n2)cc1F 1473048865 DSDADVVYNVAUNF-UHFFFAOYSA-N 428.205 2.166 30 10 IEEE CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1476882400 HLRITLDXYUMRMZ-GOSISDBHSA-N 429.502 2.424 30 10 IEEE CN(OC1CCCC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1503642824 WJAOCRPCQOYXOD-DMEQXSTQSA-N 430.509 2.357 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1505131811 RKKOAXDEPOKPBA-WIYYLYMNSA-N 447.536 2.207 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1507538353 LPIVLZIPCNGUTN-IRXDYDNUSA-N 433.553 2.350 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1c(OC)cc(OC)cc1OC 1507542345 PONLYOVPZFAVFK-INIZCTEOSA-N 441.532 2.127 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507630020 YGRLLAZVTCWYHS-GOSISDBHSA-N 433.578 2.205 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1507699092 AWLGRPVDIHXIOA-HDICACEKSA-N 447.580 2.440 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N(C)C 1507701159 ZRVODYHILDAZRZ-QHCPKHFHSA-N 443.523 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCOC[C@@H]2CCCO2)CC1 1507737553 ACGVOMJNOBYQLQ-FQEVSTJZSA-N 429.565 2.097 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCNS(=O)(=O)CC)CC1 1507909782 SDFZTHNFABKWRX-UHFFFAOYSA-N 437.541 2.338 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(S(=O)(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1508097333 HZHNLBOPOFRMSH-UHFFFAOYSA-N 445.589 2.321 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(CO)c2)CCOC1 1509807448 QKSJSXRHYHDSAI-VXKWHMMOSA-N 429.496 2.301 30 10 IEEE C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1510084377 DAHDHEIFYCKSRU-OPYAIIAOSA-N 434.610 2.042 30 10 IEEE C=CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1516157012 UDOMRFAIOSXWPT-FCHUYYIVSA-N 448.523 2.296 30 10 IEEE COC1CCC(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1518555514 GEUONRHYLPGBIK-ABHNRTSZSA-N 439.520 2.249 30 10 IEEE CN1CCn2nc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2S1(=O)=O 1529824668 NWKSHYSRJAJQLP-UHFFFAOYSA-N 437.481 2.220 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1531977802 HEINTLRGYMXWPG-QRQCRPRQSA-N 443.573 2.405 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 1534560669 YRVXWXLAUHTRHL-LBPRGKRZSA-N 433.262 2.411 30 10 IEEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1539385548 HZKYWXRMVIXSBG-MAUKXSAKSA-N 426.425 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1539477791 YWVRMOUZMNENLJ-FDDCHVKYSA-N 437.548 2.049 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1539779775 FWZIPCHDYJAOHQ-UHFFFAOYSA-N 435.912 2.010 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(N(C)C)CCOCC1 1540194493 QKADDJWXICMFTQ-UHFFFAOYSA-N 443.548 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1540889765 TUOUUZQBBRISFV-QGZVFWFLSA-N 442.545 2.011 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(COC)CCOCC2)C1 1540895679 XHOXACIFLHTOAW-HXUWFJFHSA-N 444.580 2.364 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1541802363 OSWDLGUXFBFVTK-HNNXBMFYSA-N 427.509 2.147 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)C[C@@H](C)C#N)C1 1547169936 GBOCDFZFYMHAIT-ZWKOTPCHSA-N 434.552 2.249 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1547749784 CBSQJOLMZOEWTP-SFHVURJKSA-N 426.521 2.057 30 10 IEEE COC[C@@H]1CN(S(=O)(=O)c2cccnc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548402766 RFULXDGSNZJLOV-INIZCTEOSA-N 440.447 2.498 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1554321284 BWOZPGJPJBODEV-UXHICEINSA-N 427.505 2.149 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C1 1554405112 BTNSLIAMNJKJQQ-XZOQPEGZSA-N 440.548 2.098 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1555250347 WWSYDWUFNNYSAX-IBGZPJMESA-N 445.483 2.013 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCCCC1 1555664010 NYRBSAGIKBFWNY-QUCCMNQESA-N 446.596 2.264 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)o1 1555990279 XYAOOUYMVZBBPK-SWLSCSKDSA-N 438.410 2.147 30 10 IEEE C#C[C@](C)(CC)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1556664506 QVBDTGTZRDPSSM-SCLBCKFNSA-N 443.363 2.438 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C1 1557239296 BIXTVIALTMQZJP-JKBKZWBZSA-N 427.574 2.321 30 10 IEEE C#C[C@@H](NC(=O)N(C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C)C1CCOCC1 1565106342 RQADIQBDZSESFD-IFMALSPDSA-N 431.533 2.233 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1OC 1565725464 UENOKFZRXBKKBJ-INIZCTEOSA-N 433.505 2.364 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)c1ccc(Br)cc1 1569673402 HUNITBLHNZSJQN-HNNXBMFYSA-N 447.314 2.094 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)c(C#N)cn1CC 1584133069 QHRUYMMOJNHFPL-QFIPXVFZSA-N 443.504 2.386 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584676094 RAXYPJUPPUIWBQ-KRWDZBQOSA-N 443.504 2.136 30 10 IEEE Cn1c(S)nnc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1585566634 FWYDSMINXOGNBV-UONOGXRCSA-N 444.948 2.388 30 10 IEEE CC1(C)CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@H]2O1 1586381753 CXSDNTCPTRKXLW-QZTJIDSGSA-N 425.445 2.390 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1588045279 ITNGVDYOQPHTDO-MSOLQXFVSA-N 448.639 2.420 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588045824 RFFRXPYXKGPWEO-NPPFBWRTSA-N 445.589 2.258 30 10 IEEE C=CC1(CC(=O)N[C@@H]2CCCc3nc(O)c(C(N)=O)cc32)CN(C(=O)OC(C)(C)C)C1 1588295595 SWUUUGKGWFOMKP-OAHLLOKOSA-N 430.505 2.193 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C1CC1 1588309872 GQCIYZPZIOAPEH-INIZCTEOSA-N 429.594 2.180 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@H]1CC 1588994413 VJIIYMAICSGDKF-CQSZACIVSA-N 437.367 2.117 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)CC 1589186269 WBGAMNWGXRYQRH-JOCHJYFZSA-N 438.557 2.425 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1589198138 PIUBRHNAARRVAW-UZUQRXQVSA-N 433.491 2.211 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1593763368 IFLZWLQQNXPOQH-OAQYLSRUSA-N 439.560 2.441 30 10 IEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOCC)CC1 1593895874 YEHKUXBAFSQSGB-UHFFFAOYSA-N 429.956 2.428 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1594497415 GUKLVWZVHMBOMI-IBGZPJMESA-N 430.597 2.129 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595490668 WRKGPIBPZCPDKL-DLBZAZTESA-N 428.924 2.148 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C/C=C\c2ccccc2)C1 1595673417 HLCDBZRFLLFMCB-YFZQEUPRSA-N 431.562 2.383 30 10 IEEE Cc1ccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1611989789 BLSBNPRVHGMDLF-FGZHOGPDSA-N 448.575 2.480 30 10 IEEE N#Cc1cnc(Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)c([N+](=O)[O-])c1 1612039955 PXZFCDBBPBFZAZ-UHFFFAOYSA-N 438.416 2.279 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1C 1612107544 WJZYRASVVMDDHM-VZCXRCSSSA-N 449.515 2.274 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ncc(Br)cc1C#N 1612542684 NERIOEFXIFLLTF-UHFFFAOYSA-N 442.317 2.380 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1615093546 PASHTQBWDZCOJG-HXUWFJFHSA-N 447.547 2.345 30 10 IEEE CCN(C)C(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@]1(OC(C)C)CCOC1 1615139144 LPRJUEJWCWNWAT-QHCPKHFHSA-N 440.548 2.305 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCc3ncn(C)n3)C[C@@H]1C)C2=O 1615245462 RSWDZPHGFYGBEZ-WVDJIFEKSA-N 432.864 2.082 30 10 IEEE C#CCN1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1 1618030151 WWNHLYNOZIHPSC-QFIPXVFZSA-N 427.570 2.310 30 10 IEEE N#Cc1cccc(C2(NC(=O)c3nc4ncc(Br)cn4n3)CCOCC2)c1 1618069082 BJQBDNFPMCVKHZ-UHFFFAOYSA-N 427.262 2.194 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)nn(C)c2C)c1 1619135245 BUCVNBHNVIDCFF-IBGZPJMESA-N 437.504 2.090 30 10 IEEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1626889894 MFPUQTUQOXPMQF-CVEARBPZSA-N 449.573 2.474 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 1630825931 YGWRQMRMEGLNOL-MOPGFXCFSA-N 428.533 2.382 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 1634174329 CXOOFFMQTLPEHE-LJQANCHMSA-N 425.558 2.218 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 1634248355 LRSPNPXDVOGBKQ-UHFFFAOYSA-N 448.458 2.353 30 10 IEEE C=CCC1(O)CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1635151403 AUKJOIQDYQZVBZ-QHCPKHFHSA-N 447.535 2.430 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1636392887 YSLUJWQDMYLITL-GJZGRUSLSA-N 436.896 2.412 30 10 IEEE Cc1nc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc2n1[C@@H](C)CO 1636582169 ANIZHRFHDMUHSR-KBPBESRZSA-N 441.513 2.075 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1638122076 DYFJWBFUGYJYML-YADHBBJMSA-N 437.496 2.305 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F 1640081528 AGRDJQUMZZNKEL-BLLLJJGKSA-N 433.452 2.231 30 10 IEEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1641770107 NEEHTZJWNZHIJH-FQEVSTJZSA-N 445.519 2.206 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)cc1 1642005893 GHMQGHXWTJUKOK-UHFFFAOYSA-N 426.420 2.492 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)C1 1644637796 AAFHFIAUCSWINS-YLJYHZDGSA-N 445.361 2.191 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 1644719151 PORFFDQGMNDKKB-UHFFFAOYSA-N 432.351 2.297 30 10 IEEE N#CC[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(F)(F)F 1652244842 RTJJANOCYQNBPJ-HKUYNNGSSA-N 444.413 2.461 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1 1673273796 WDWYORFQAFHYGM-UHFFFAOYSA-N 436.472 2.088 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCS(C)(=O)=O 1689831984 VFDMPQIYJPXREK-KRWDZBQOSA-N 441.557 2.321 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1690068031 URCLAYSUFTXRMF-INIZCTEOSA-N 432.546 2.247 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCc2cnn(C)c2)CC1 1690133824 VMIXOOCZHGCETB-UHFFFAOYSA-N 433.560 2.287 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1690156378 WSYMOPADDBXUIF-CVEARBPZSA-N 449.602 2.042 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690183416 XWNMQHMFEKTLOM-GOSISDBHSA-N 448.614 2.464 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690198456 OLERRAFQJCCPTA-FOIQADDNSA-N 448.980 2.267 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1690240584 HWKRSTKZNUXCGF-DOTOQJQBSA-N 437.953 2.210 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCNC(=O)C1CCC1 1690244108 TVGPKKNAHRGWEO-QUCCMNQESA-N 441.580 2.402 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)CC1 1690375244 DPTHFVJSCFLVDG-QGZVFWFLSA-N 435.594 2.176 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690509587 AZKUJFZBSJUYKV-SFHVURJKSA-N 437.548 2.166 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1690556248 RBMPTABYTACELD-UHFFFAOYSA-N 446.573 2.296 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690748948 MMPKQGZUUSGJAU-NRFANRHFSA-N 441.649 2.399 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1690993550 MLKXWTUTNRELDK-ZWKOTPCHSA-N 435.532 2.163 30 10 IEEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)s1 1693446463 IDYJKTPAYJPOFV-ZDUSSCGKSA-N 445.574 2.089 30 10 IEEE C[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1693678260 HWNQDSNGRKTLFK-BFQBXFRASA-N 435.532 2.417 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(OC)CCC(C)CC2)CCOC1 1696085973 GHXPDMQEIUKNJR-KVCCMIQPSA-N 433.553 2.254 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1 1696808295 HSPTWUOQAFVHLW-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE CNC(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1697001104 BFYLHPOJGNYGKY-UHFFFAOYSA-N 444.543 2.060 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(O)CCOCC1 1697581826 CMJBRILUPJRTRP-NRFANRHFSA-N 429.496 2.251 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(C)C 1698164581 GHOXQJZFIFFFAD-GOSISDBHSA-N 444.584 2.288 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705570299 OFGQEHTZKJCJIL-IBGZPJMESA-N 444.605 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705599373 YCSZIMMPSWTOJU-DHIUTWEWSA-N 446.599 2.456 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1705843256 ATKFEVKUEXAFHV-YLJYHZDGSA-N 429.590 2.249 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1705869058 KULXHOUMFLWEQC-DCLXLUIPSA-N 442.608 2.197 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705903800 UVGNGRYRWFOTQR-SFHVURJKSA-N 445.589 2.168 30 10 IEEE Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)c1C 1706971934 GJSQSTZGYOYXEQ-LJQANCHMSA-N 447.499 2.434 30 10 IEEE COC1(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1711615115 AFYWYBKBQGWOSK-KRWDZBQOSA-N 445.545 2.037 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1711761028 FUJBNJJEWFQJNI-FQEVSTJZSA-N 432.550 2.023 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNS(=O)(=O)CC 1722344544 QYQOJDRIMCKMIH-UHFFFAOYSA-N 440.573 2.361 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1722347380 GUCSJPKCZGSHIY-HNNXBMFYSA-N 445.321 2.074 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1722371827 LYKGUXNVVXDXNE-KRWDZBQOSA-N 433.603 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722375529 NMGBBLYMPYMHFX-OALUTQOASA-N 441.557 2.124 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCn1cc(Br)cn1 1722429100 NPHRGUZIZRETLM-MRXNPFEDSA-N 437.342 2.265 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722509205 NXXOBOJVNGDKTB-PKOBYXMFSA-N 437.610 2.435 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccnc2C)C1 1722709509 RNQYBZLGBIAJOG-KRWDZBQOSA-N 434.504 2.048 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)NC)C1 1722710545 KOERSBJSGRCKIC-IBGZPJMESA-N 445.589 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1 1722729813 XWOLRKKLRHOIED-UHFFFAOYSA-N 438.981 2.332 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1722736703 FMFDYQGVCASUMG-LJQANCHMSA-N 446.573 2.218 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722902524 WLWJUVDLKFTPEY-NRTINQSCSA-N 442.564 2.355 30 10 IEEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CCCO1 1726728755 FAFJFFMQOZGGEL-AUSIDOKSSA-N 443.596 2.145 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC(C)CC1 1730956657 RRANNEBMBMDFMU-ACRUOGEOSA-N 446.596 2.243 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740544195 ACHGMFUWCXFWRM-SJORKVTESA-N 438.557 2.233 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740591220 QUJJLGMGFYDEOU-SFHVURJKSA-N 425.537 2.019 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740624294 HVULXQKHTADBIK-MSOLQXFVSA-N 436.603 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(O)cc1 1740639342 UOXAOHKBIJDPRZ-UHFFFAOYSA-N 427.512 2.279 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1740662626 OFISSGJGYVUIPC-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1740798400 IETJXSNXRFHGSR-WOJBJXKFSA-N 445.589 2.404 30 10 IEEE C=C(C)COCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1740799142 GOHPBEIBOMNTPY-HSZRJFAPSA-N 449.596 2.218 30 10 IEEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC)C1CC1 1740909338 HNCMLJLMNFKUNK-UHFFFAOYSA-N 445.593 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740957581 STQYBBATFHWYIK-UHFFFAOYSA-N 438.561 2.042 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740964009 DXHIQCNCTLJJLS-QFBILLFUSA-N 429.496 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(Cl)cc2C1 1740991251 RPOIPZGKWQHQIB-KRWDZBQOSA-N 449.964 2.046 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCc2oncc2C1 1740994147 JKUIIXXEDVAZCE-UHFFFAOYSA-N 427.530 2.215 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)c1occc1C 1744692009 WKIQWHDTABLJIJ-UHFFFAOYSA-N 448.531 2.155 30 10 IEEE CN(CCn1cccn1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1747967088 MDYKDVPHRKGJAI-UHFFFAOYSA-N 436.501 2.115 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1748669306 WOTZJQNNBRBSSY-DLBZAZTESA-N 432.569 2.329 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1748715237 OMCSDXIDWFROFH-RTBURBONSA-N 437.610 2.431 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1748915044 SKGBBDUIWGHDND-UHFFFAOYSA-N 442.321 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(C)coc2C)CC1 1749004859 ONSNAJCUEOADFO-GOSISDBHSA-N 443.548 2.226 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749457193 HCVSYPSMKXSHJC-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCc1ccn(C)n1 1749536597 QNYWKWHVDSMDFF-UHFFFAOYSA-N 444.543 2.441 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCOC1 1749597410 FVEJOJXOKLJWAR-KRWDZBQOSA-N 448.593 2.304 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(C)cn2)C1 1749697602 LLKTYKLCKZSXQB-KNQAVFIVSA-N 430.553 2.305 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1749932753 GPQXCBHOEWAXAG-FQEVSTJZSA-N 437.548 2.084 30 10 IEEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1750386365 FNMHENHXFPODNG-MRXNPFEDSA-N 433.509 2.171 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1752581100 BUNFOGPMMCBREK-KUHUBIRLSA-N 434.504 2.331 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760125495 ZMPHBWHYSLLWAX-VQTJNVASSA-N 439.560 2.427 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760157194 HPRRQGPUYOVGQF-KRWDZBQOSA-N 426.496 2.396 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1760182121 GRIBWAYOLYXOOD-LJQANCHMSA-N 430.574 2.397 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760246240 NCSCCIKADZEBNG-JOCHJYFZSA-N 446.555 2.327 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1760259874 QXMYTLFHHBNHFS-CTNGQTDRSA-N 427.524 2.454 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760278705 DQEIBZMYUXKJQV-SFHVURJKSA-N 425.562 2.060 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760280905 NIFVPTKIQUIALV-RBUKOAKNSA-N 430.578 2.296 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)CC1 1760336012 UBDVZPLVIJBMBV-PZJWPPBQSA-N 426.565 2.398 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1760352844 ZFGSSLUFABFZAH-RCCFBDPRSA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760452997 UJXMCLASOQLCCG-QUCCMNQESA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1760519318 ZPNPKBJYMCXIES-UHFFFAOYSA-N 430.516 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760552447 NWCMWZKBHCZWSI-MCPYQZEQSA-N 434.537 2.282 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760558897 DXVATQMGISJZEP-INIZCTEOSA-N 436.582 2.148 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cccc(C(=O)NC)c1 1763098535 HZHWUBJXYWEYPM-UHFFFAOYSA-N 444.543 2.036 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1767232818 LHGSSXWBISYWSF-UHFFFAOYSA-N 425.537 2.221 30 10 IEEE CCOCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)CCC1 1768065329 YXUCFIYCESAXJX-PGRDOPGGSA-N 433.553 2.256 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1769282919 NACHKEWQQNRKSZ-QZTJIDSGSA-N 447.536 2.205 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1771040476 VJHCLNIEVJWFFT-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1771297333 BGXNAZFXLYKXOD-NVJIOZQYSA-N 446.596 2.100 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1772555419 XTAFCCDSCAHQNA-CVDCTZTESA-N 433.597 2.442 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)CC1 1852557689 SHFIIODEVBSXNO-UHFFFAOYSA-N 447.451 2.316 30 10 IEEE C=CCN(CC=C)C(=O)c1ccnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 1860534214 TZCPZFVOEQWMHQ-UHFFFAOYSA-N 428.514 2.398 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862695048 YZYXUZQATRIXIZ-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2OC)n([C@@H]2CCS(=O)(=O)C2)n1 1870004896 PAFBJUXIPKFULM-OAHLLOKOSA-N 431.518 2.077 30 10 IEEE C=CCNC1=C(c2cccc(Br)c2)C(=O)N(CCCN2CCOCC2)C1=O 1873053872 SFAQRKXIKRPEBL-UHFFFAOYSA-N 434.334 2.027 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(OC)c(O)c1 1874470478 HVPVOMLMBPOILC-SSDVNMTOSA-N 445.501 2.065 30 10 IEEE COc1ccc(F)cc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889423054 GBYDPVDZNNAQDI-UHFFFAOYSA-N 431.552 2.485 30 10 IEEE C#CC[C@@H](CNC(=O)OC(C)(C)C)Oc1ncnc(I)c1OC 1986463512 FERIXJOAXCHXIZ-JTQLQIEISA-N 433.246 2.385 30 10 IEEE C=CC1(NC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993270022 ORHPQYCHLJAXHY-NRFANRHFSA-N 425.526 2.040 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC1 2060628419 XCPRXAFSAXZTFD-HOTGVXAUSA-N 435.374 2.090 30 10 IEEE CC(C)(C#N)CS(=O)(=O)N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2174786302 IPLOAQUFBBCENH-GOSISDBHSA-N 435.546 2.416 30 10 IEEE C[C@H](c1cc(C#CCN)cs1)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186579719 MAVMKBCDJRHRCN-OAHLLOKOSA-N 445.566 2.067 30 10 IEEE N#Cc1cc(Br)cn(CC(=O)CCCN2C(=O)c3ccccc3C2=O)c1=O 2213750105 LACPNMQFDBFUTB-UHFFFAOYSA-N 428.242 2.128 30 10 IEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=Nc3ncccc3B3OC(C)(C)C(C)(C)O3)cc2C1 2232274243 UPBTVHJAFDOWAP-UHFFFAOYSA-N 441.341 2.494 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835452 LDPGHWRMCNOEGA-UHFFFAOYSA-N 437.371 2.381 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)C1 2255193574 QGPHKMPOMSHVJV-KFQKVSIOSA-N 449.548 2.188 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2255529502 LJERLVMRPKWBEP-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255629495 WQSVNQDJLXCDMQ-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255712368 MNTJAUPJDKSBJL-JLJPHGGASA-N 431.342 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CC1 2266980904 DBCJBKNWVNZLCL-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2267004812 IOLQTZIEOQZALI-SJORKVTESA-N 449.332 2.458 30 10 IEEE CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267119126 RMHJZYZKJYMNSN-SFHVURJKSA-N 441.385 2.001 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267138671 ZCHOLDYGNXMSRL-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2267141717 MCMRJZRDRBZKOU-VNQPRFMTSA-N 446.357 2.227 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267155394 SPTLNYSDHAXLJZ-CABCVRRESA-N 448.373 2.203 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185462 VOGDGBQMYQSKKU-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267227152 YZPZOFLXFNGRHB-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1NC(=O)OC(C)(C)C 2267482339 BSKYUMXHTSPJAR-GOEBONIOSA-N 448.373 2.095 30 10 IEEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267542654 VEZPQDCUBYWYJO-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268639116 MPUNQVJXYLLXCB-SFHVURJKSA-N 448.369 2.484 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268655588 NRCIPGQXGLDFMO-LSDHHAIUSA-N 447.341 2.344 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268672973 WVOOPSGGSZCSRL-GOSISDBHSA-N 446.353 2.368 30 10 IEEE COCCSCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282827390 YSTDUYMGSITAQQ-UHFFFAOYSA-N 441.833 2.359 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2CCC3(CC2)OCCO3)OC1(C)C 2282869697 HAQCJTYXODREJL-UHFFFAOYSA-N 443.396 2.259 30 10 IEEE N#CCCN(c1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286057146 MKPUUGVOQDYKDM-GOSISDBHSA-N 431.470 2.116 30 10 IEEE CC1(C)OB(c2cc(=NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)[nH]cc2F)OC1(C)C 2322300557 SETZWYOYKAELHH-GFCCVEGCSA-N 431.239 2.155 30 10 IEEE CO[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H]1NC(=O)OC(C)(C)C 2322311450 TXVZOCWXCBRUNW-HZPDHXFCSA-N 437.321 2.248 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)n1C 2337190821 SAHPTHLNGNWPSX-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCN(Cc2ccccc2)C1 2337191359 YAAMCBKREQBLBR-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE NN[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(I)c(Br)c1 2342527522 CIYNAGLEXBMWMR-MIJXAVMKSA-N 433.087 2.454 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651020 HCCWAAYOWZDNON-GOSISDBHSA-N 448.369 2.450 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ncc(C#CCO)s1 2364277691 GGCYDTDJOPQJDV-UHFFFAOYSA-N 447.538 2.085 30 10 IEEE Cc1ccc(CCNC(=O)c2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 2686700 IAKYVUNJEWPGIC-MOPGFXCFSA-N 429.567 2.457 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 27559481 GJQWAMRTNPYPJM-GJZGRUSLSA-N 429.590 2.090 30 10 IEEE CCOC(=O)c1ccc2nc(NC(=O)[C@@H](C)n3c(N)nnc3SCC#N)sc2c1 32535670 MGEQVTKFLYZLAF-SECBINFHSA-N 431.503 2.462 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 96582027 IUVCZUPDXNXANJ-HSZRJFAPSA-N 436.468 2.146 30 10 IEEE O=C(O)CC/C(=N\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C(=O)O 96839028 NGQOPTJGOROEQY-XMHGGMMESA-N 436.402 2.113 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)c1=O 101350989 CNMNNANHMVQMED-UHFFFAOYSA-N 427.486 2.044 30 10 IEEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)s1 103094907 WVCCTONVCHQCGG-LYHOESIGSA-N 442.541 2.299 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc3nc(NC(=O)c4cccc(C#N)c4)sc3c2)CC1 170503460 UPBYQXANQWOZID-UHFFFAOYSA-N 441.538 2.356 30 10 IEEE COc1ccc([C@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)c2cccc(S(C)(=O)=O)c2)cc1 409744288 JIEKYMALSHQFJE-VLIAUNLRSA-N 439.497 2.029 30 10 IEEE N#Cc1cccnc1N1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 430054535 VYKVWWLJJWBOCV-UHFFFAOYSA-N 435.347 2.312 30 10 IEEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@H](CCCC#N)c3ccccc3)CC2)cn1 431982081 AYEQIBGOIVINTH-HXUWFJFHSA-N 444.561 2.308 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 441460230 TYGZAWNPHIQHLA-OAHLLOKOSA-N 448.405 2.174 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(S[C@@H]3CCN(c4cc(C)nn4C)C3=O)nnc12 463062657 BYRWHNCPMDDMFD-MRXNPFEDSA-N 435.513 2.170 30 10 IEEE O=C(Nc1nccs1)[C@@H]1CCCN1CC#CCN1CCC[C@@H]1C(=O)Nc1nccs1 472573862 KRCINKDTDDARCP-IYBDPMFKSA-N 444.586 2.109 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCC1 477517356 RZDVHAIJGAAQGF-UHFFFAOYSA-N 426.336 2.231 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2sccc2C#N)CC1 482795594 YQEPNKXMAZTSRM-UHFFFAOYSA-N 425.919 2.428 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 499291232 WRFPWHOBVSKVDE-QFIPXVFZSA-N 440.507 2.038 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(c2ccc(F)cn2)CC1 508884279 GJBRHBKJRSRRLD-UHFFFAOYSA-N 449.538 2.499 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]2CCCO2)c1=O 522385346 VOUJNZYNZSWZPA-KRWDZBQOSA-N 426.538 2.216 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 523305766 DIYPSHQOIWUXGP-UHFFFAOYSA-N 438.549 2.352 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)CC1 523924340 GZTSNISSMUNELD-UHFFFAOYSA-N 447.451 2.419 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c(OC)c1 532702144 CXWLNDLRHDHZEX-QFIPXVFZSA-N 445.604 2.040 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCN(c2ccccc2)C1=O 538268577 KICCCCSTARMYNP-UXHICEINSA-N 437.569 2.194 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C3(NC(=O)NCc4ccccc4)CCCC3)CC2)n1 546902986 WRHRFOARFGSUBK-UHFFFAOYSA-N 432.528 2.414 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 558455383 XSTSZZSAAWAREE-FUHWJXTLSA-N 448.593 2.428 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccccc2F)nc1C 586349457 MGYTTYTUECIHAB-LJAQVGFWSA-N 439.490 2.259 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(C[C@H]3CCCO3)c2=O)cs1 588152304 NMOAICPBNVKWQM-DZGCQCFKSA-N 431.583 2.226 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c(Cl)c1OC 730439669 UZMUPAFUCVJKSG-UHFFFAOYSA-N 448.891 2.468 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1 732649366 GYAWMULIJUDIGG-HLIPFELVSA-N 430.574 2.166 30 10 IEEE N#C[C@H]1CN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CCN1C1CC1 732649822 TYHWUXYKNQNCDG-INIZCTEOSA-N 440.363 2.202 30 10 IEEE COC(=O)[C@@H](OC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(C#N)cc1 740198274 DGKFJNHFBVXYKA-KRWDZBQOSA-N 429.479 2.318 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCO2)C1=O 741453565 FESWUXOSRNJQSL-MSOLQXFVSA-N 436.553 2.394 30 10 IEEE C[C@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)Nc1ccccc1C#N 750427724 VMODTSGKTGMJIL-NSHDSACASA-N 441.245 2.480 30 10 IEEE Cc1ccn(CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(=O)c1C#N 758177201 GWHNZKXSVUNKDM-UHFFFAOYSA-N 433.434 2.261 30 10 IEEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2F)CC1 777294549 NMJICQVGSYHVPA-UHFFFAOYSA-N 430.505 2.099 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)n1 782811521 SPOHHXDKOSCKFK-INIZCTEOSA-N 445.813 2.464 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)cc1C#N 784751432 ANGPMFKUBBNFAL-UHFFFAOYSA-N 433.472 2.229 30 10 IEEE C#CCN(C(=O)N[C@H](C)c1ccc(Br)cc1OC)[C@H]1CCS(=O)(=O)C1 786925210 GVARHEXUEUIOIT-OCCSQVGLSA-N 429.336 2.351 30 10 IEEE Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 789495184 JQRAEOWRTVAJFU-CQSZACIVSA-N 448.405 2.201 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)n1 790109308 VIRJCTWPPIZXGY-UHFFFAOYSA-N 437.456 2.059 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCc3ccc(C#N)c(F)c3)CC2)c1 791345033 LKSOFPIKFPHOCD-UHFFFAOYSA-N 431.489 2.201 30 10 IEEE COC(=O)c1ccc(COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 793381985 AOLOUVAAPLJETB-QGZVFWFLSA-N 445.497 2.065 30 10 IEEE N#Cc1cnn(C2CCOCC2)c1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 794052897 ZVCSVLVGNMOGMT-UHFFFAOYSA-N 441.513 2.132 30 10 IEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=Nn2c(S)nc3ccccc3c2=O)C1 794487971 GZDNEZRUBOSCOU-CQSZACIVSA-N 445.545 2.282 30 10 IEEE Cc1cccc(COc2ccc(S(=O)(=O)NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)c1 798827065 QMMWHECNJRUFOQ-HNNXBMFYSA-N 425.470 2.103 30 10 IEEE COc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)cc1C#N 805223687 LKRSFMHOVKIXTE-UHFFFAOYSA-N 436.921 2.306 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Br)cc2n1 1134645158 BBIXYELPIWYVCL-KPZWWZAWSA-N 434.315 2.316 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CC1 1135889626 QQNZBWCVBMKNNW-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CN(c4ccc(F)cc4)C3=O)C2)C1 1138154263 HULFUAYBDLCABV-DHBJRKCESA-N 442.491 2.444 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2COc3ccccc3[C@@H]2O)C1 1160373862 CCTLKSNBZCXPTI-LPHOPBHVSA-N 428.286 2.368 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1161816560 LFDFAFPWIVXBTC-LJQANCHMSA-N 438.613 2.149 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1192948123 VPYNDTQCJPWRDG-WOJBJXKFSA-N 438.494 2.333 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1209439255 HSSDSTOSINOPLT-UHFFFAOYSA-N 438.259 2.280 30 10 IEEE COCCOC1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCOCC1 1228690990 HUAHNGAKMBYMQK-UHFFFAOYSA-N 430.549 2.034 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)NCC#CCO)Cc1ccccc1O2 1235582192 LNMSJNBWACSBFG-UHFFFAOYSA-N 429.517 2.356 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286387353 CUEPNCIUNBTQPV-QGZVFWFLSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1286410072 ROYGNWVAEPOFNU-TZIWHRDSSA-N 443.617 2.050 30 10 IEEE C=C(C)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286599308 TXAXTJKJNBMRCP-IYBDPMFKSA-N 448.568 2.096 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(N)=O)CCOCC2)CC1 1286641038 RVDMHDVXOMFWFI-UHFFFAOYSA-N 441.532 2.401 30 10 IEEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1286725088 XTGQLIBHXWXNEL-VXPUYCOJSA-N 428.443 2.296 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286790792 PFQLJLCJGDKBFF-OAQYLSRUSA-N 449.559 2.067 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)cc1 1289826988 CPRNYTIBOACNKB-NRFANRHFSA-N 441.532 2.480 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)NC)c1 1290818119 NZQBZAFGAQEQGR-UHFFFAOYSA-N 430.482 2.113 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1290985136 FBSBZYGPRQCPJB-DOTOQJQBSA-N 426.546 2.149 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1295564882 CUPVQSBPGRXRJO-UYAOXDASSA-N 438.580 2.106 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1299773305 OTSQODLZSMTBMB-WZONZLPQSA-N 438.532 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C1CC1 1300283559 NMYFZIGZTHIUCU-IRXDYDNUSA-N 444.605 2.136 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1300302674 CFGZFCNJVOTEBL-INIZCTEOSA-N 449.559 2.438 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1300488986 YIYCWLPMNRJPNU-NVXWUHKLSA-N 442.570 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCOC[C@H]1C 1300591619 TUYAOLMZUZLWDA-OAQYLSRUSA-N 430.556 2.465 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCOC2)C1 1300743010 DSOAJGSZTBOATE-OAQYLSRUSA-N 446.598 2.332 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1300915202 JOFVDGAXZNACPO-MRXNPFEDSA-N 434.610 2.489 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1301302619 GXGCXOJFRGIFAA-UHFFFAOYSA-N 426.565 2.156 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1301676152 HFMTXUADEXEGII-UHFFFAOYSA-N 425.493 2.213 30 10 IEEE CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1302379216 LDWJSDHKMYPVAH-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C(C)C)N1CCCC1 1314356704 TVAWIMWFVMGFMW-FQEVSTJZSA-N 439.564 2.470 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1314522101 RHJASTXYZYBXRT-ZDUSSCGKSA-N 448.574 2.406 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1316098346 BHMQAOLXAKVTJI-UHFFFAOYSA-N 431.500 2.239 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1316269518 JVQLUOWYEGZRNN-CMXRIWHBSA-N 433.553 2.326 30 10 IEEE C=CCO[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C1 1320159819 KJFRQPKLSIOTRO-KRWDZBQOSA-N 437.562 2.085 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(C(=O)OC(C)(C)C)CCSCC1 1356278225 POKINJMGIYHCEV-OAHLLOKOSA-N 431.562 2.240 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(OC)c(OC)c1 1358968640 TWYZOVWZTCXHQG-UHFFFAOYSA-N 444.495 2.258 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1359010659 VVRVVZVKFPSXGY-NQIIRXRSSA-N 425.533 2.218 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CC 1359027393 HUQRWZAIQZSMEF-JKSBSHDWSA-N 435.569 2.296 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1359140627 HPULOZHBOQDROO-LJQANCHMSA-N 444.967 2.122 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 1360754915 INUYGHDEIYZVCO-UHFFFAOYSA-N 439.273 2.199 30 10 IEEE Cc1ccc(C(=O)N[C@@H](c2cccs2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1452426245 GGWJAWIRLTWWGY-SFHVURJKSA-N 433.555 2.492 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(C#N)c(Br)c1 1456890259 WKJUMYLMWHLYHL-AWEZNQCLSA-N 433.262 2.334 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(C)c3cc(C#N)ccn3)CC2)c1 1459114016 VPYLHIBWYYNWPA-UHFFFAOYSA-N 426.498 2.220 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1 1460216412 UITPXAIVSAKSTF-GOSISDBHSA-N 428.533 2.116 30 10 IEEE N#CC1(C[C@@H](O)CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CCOCC1 1473138437 TZRCYMYTNQWTGB-GOSISDBHSA-N 436.350 2.278 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)[C@H](C)C1CCC1 1501551019 UOZGDJPMBZCQIN-ZHRRBRCNSA-N 443.573 2.381 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1OC 1503806566 FBTLBNYZPLUHHY-IEBWSBKVSA-N 426.521 2.116 30 10 IEEE COC(OC)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1504010741 XZCQITTZZIAEFL-YJBOKZPZSA-N 447.561 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507528194 LVDTXKVDRQXKBN-ROUUACIJSA-N 438.557 2.414 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1507594105 ADGIACJXBKOHCX-UHFFFAOYSA-N 433.516 2.396 30 10 IEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1507625981 MDVXPNJMKQUJIM-RXVVDRJESA-N 438.594 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCc2nc3ccccc3[nH]2)CC1 1507741289 PAPITYWQIAPJSW-UHFFFAOYSA-N 449.559 2.290 30 10 IEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1507775099 IDHAJOOWCJDGFH-ZDUSSCGKSA-N 449.309 2.223 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1507851969 FLHBQERQUMRHGS-OALUTQOASA-N 443.573 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1508073659 LMYPMLLBSVYWTG-FGTMMUONSA-N 441.532 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508078597 ZZGVWOGIHCTHHL-WOJBJXKFSA-N 425.533 2.194 30 10 IEEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511113945 XQPKLIXIEXLFDE-LBMBTHBCSA-N 446.515 2.305 30 10 IEEE CCCNC(=O)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1515124078 DYRWSHMWWNYJST-OAGGEKHMSA-N 433.557 2.313 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1516418221 LRTJXNOKHCPESV-QHAWAJNXSA-N 441.532 2.274 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)C1=O 1533266270 NVXJDIJEYYJZAJ-MRXNPFEDSA-N 442.472 2.114 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[C@H]1F 1533439537 NULYHQQVIICATK-KBAYOESNSA-N 430.480 2.375 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1539357348 HRPDXNAMHNTPJV-UHFFFAOYSA-N 427.530 2.014 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539500240 VPGWOCRESZSZAB-QAPCUYQASA-N 431.518 2.460 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1)c1ccccc1 1539766177 PIBLGUBGDVZSFA-AZUAARDMSA-N 444.605 2.276 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1540916943 KHEPGXXCONPHBS-QGZVFWFLSA-N 433.582 2.105 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCOCC1 1541109395 GHGNFSSJNCRLLR-KRWDZBQOSA-N 426.521 2.382 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1)OC 1546009888 AXOLBPNLHNSUEL-JTSKRJEESA-N 426.521 2.116 30 10 IEEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccnc1 1548401457 MJJOYOTWYKODPV-MRXNPFEDSA-N 440.447 2.498 30 10 IEEE CC(C)n1c(S)nnc1CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1564547526 QCPQSGXQUOUIFK-MRXNPFEDSA-N 427.534 2.057 30 10 IEEE CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1570014877 RWYFSXOZVQHBSJ-GFCCVEGCSA-N 432.458 2.449 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(Br)cc32)cc1 1584261894 MGOHWPLQHRMULM-UHFFFAOYSA-N 435.299 2.400 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC2(C#N)CCCCC2)CC1 1587538152 DUQCQUMQMCDGRA-UHFFFAOYSA-N 447.557 2.464 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1588040796 QRTGSWCJIOXHIH-PKOBYXMFSA-N 446.598 2.476 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588064760 OQSVKAKDVCICNZ-QGZVFWFLSA-N 436.603 2.108 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588638725 WOZWUTPGOFTMHF-GOSISDBHSA-N 433.553 2.473 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1589006354 DRNMOZURECZLJX-FQEVSTJZSA-N 428.518 2.182 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(c2cnn(C)c2)CC1 1595562008 KVZYOAXTCGQYSG-UHFFFAOYSA-N 440.577 2.054 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1611320219 TXVWIGOYMWWQJQ-YESZJQIVSA-N 443.556 2.469 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1C[C@@H]1C 1611716713 CALDPWUUQSHBOW-JAQSECSASA-N 428.562 2.288 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)CC2)c1C#N 1616430526 JNZNLTOKANFOFX-FDDCHVKYSA-N 442.564 2.429 30 10 IEEE C[C@@]1(C#N)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 1626948347 NMCUTIGSXHVLJN-KBXCAEBGSA-N 425.272 2.339 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@@H](CN3CCCC3=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1629808643 PEMOAJBYGKLCTQ-INIZCTEOSA-N 436.472 2.456 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1639645666 DHOIYHSCLQAXCM-UHFFFAOYSA-N 432.542 2.098 30 10 IEEE C#C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1641517632 MFPCLGBQDYFQCI-ZDUSSCGKSA-N 438.259 2.109 30 10 IEEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1641564527 VIIZCFQFKQUWSF-HXUWFJFHSA-N 430.516 2.249 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)cc1 1646045178 KDWRVSFZBGGYLN-UHFFFAOYSA-N 439.497 2.301 30 10 IEEE C#Cc1ccc(NC(=O)CCN2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1654909095 CQFXJHVMSAMLSX-LJQANCHMSA-N 441.528 2.338 30 10 IEEE CC(C)(CNS(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1COCC12OCCO2 1662443607 CHXZIJKKHOJFPY-OAHLLOKOSA-N 445.335 2.015 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 1678035315 ITNVAERFAWGVCW-QGZVFWFLSA-N 446.495 2.197 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H](C)N2CCOCC2)c1 1689870537 RDKJLNWMMFVNMC-SFHVURJKSA-N 436.560 2.323 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCC(=O)Nc1cccc(Cl)c1C 1689972385 MZYLXXATDSRVEM-UHFFFAOYSA-N 428.924 2.461 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689980396 QYMZRMVXRKQYKA-AZUAARDMSA-N 441.601 2.479 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1689984614 RIBOVIXIKYREHX-HXUWFJFHSA-N 441.557 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@H](O)C1 1690017792 LXHBFYJFIQTDDA-FPOVZHCZSA-N 433.560 2.076 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1690035589 DHTBEKDKAGOLSB-UHFFFAOYSA-N 426.542 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H]2CCCCO2)CC1 1690145989 CHFHDTUYOURWEM-WOJBJXKFSA-N 429.565 2.097 30 10 IEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1690309884 MRWKTZCCPQPWIL-OAHLLOKOSA-N 438.488 2.186 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690644868 WPJWHJLNKQHQPC-NRFANRHFSA-N 430.459 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690667109 QIQXSVCSOUCKCW-UZUQRXQVSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOCC2(CCC2)C1 1690677126 OAVRTDRYEMEFDI-UHFFFAOYSA-N 441.532 2.175 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1690750479 LFMLUJQYARJZNB-SFHVURJKSA-N 445.589 2.306 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1691434635 HYVVMCJHQFBWBZ-HXUWFJFHSA-N 449.559 2.084 30 10 IEEE CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1cccnc1 1692773593 DPTSGVYCENBRIS-VQIMIIECSA-N 445.593 2.463 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N[C@H](C)CC 1694552571 FRZKKUATGBZCSU-MJGOQNOKSA-N 440.548 2.453 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCCCCC1 1698136468 XMJFDUPQYNMTPJ-LAUBAEHRSA-N 436.532 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C1CC1 1705479649 NMLOOQCJCMLMMO-CVEARBPZSA-N 443.621 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1Cc1ccc(C(N)=O)nc1 1705502195 SSLHNMDRFGXWGP-INIZCTEOSA-N 434.500 2.256 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705567359 XDLFRVMTDVNOQS-KRWDZBQOSA-N 431.562 2.249 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1705571415 ZDCYCNXPERXQOC-HXUWFJFHSA-N 442.585 2.281 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705768821 BARNODFSBZQISV-LJQANCHMSA-N 443.573 2.135 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(CC(N)=O)CC2)nnc1C1(c2ccccc2)CCC1 1705908659 SWXMSUSVPTWXCY-UHFFFAOYSA-N 436.560 2.142 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1Cc1ccccc1 1705934101 BEASJHMKBJDNAZ-MOPGFXCFSA-N 443.573 2.042 30 10 IEEE CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)COC1 1706162175 SYTZKWXXJLZPHX-KRWDZBQOSA-N 446.552 2.206 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSCC)C1 1710346017 HZHRZAHQYGCWJG-GOSISDBHSA-N 448.618 2.478 30 10 IEEE CCS(=O)(=O)NCCn1c(N2CC[C@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1710902665 AGZFXNNLGGTWHX-FQEVSTJZSA-N 446.552 2.129 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNC(=O)C(C)C)c1 1722309236 LVJDRTZBESHRFA-UHFFFAOYSA-N 433.516 2.102 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722323462 UIQWMJHTDKUJAN-NHCUHLMSSA-N 436.560 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](CC(C)C)N(C)C 1722375914 USRPBJPEOWVRTI-HXUWFJFHSA-N 441.601 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722380161 GJAYZJMROJQRHS-UHFFFAOYSA-N 442.523 2.237 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)cc2)CC1 1722430951 DBMJJLWKQROKPZ-UHFFFAOYSA-N 433.491 2.062 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722458398 IIUIGCLNGNWRDZ-RXVVDRJESA-N 444.649 2.291 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722737114 TWEADIFRNQEKAO-UHFFFAOYSA-N 442.589 2.497 30 10 IEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1723083661 YWSVPSXSTLSLER-IAGOWNOFSA-N 426.521 2.284 30 10 IEEE CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1723406391 BITGQMLCLRSIDL-QGZVFWFLSA-N 427.509 2.107 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1723866820 HFEDJLUCZRHERR-FXAWDEMLSA-N 442.589 2.172 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1724188507 FSVIBKWOQZQQOS-PZJWPPBQSA-N 441.532 2.398 30 10 IEEE CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCC[C@](C)(C#N)C2)c1=O 1728539340 FNLYPQOEQAEEFA-HTAPYJJXSA-N 428.537 2.362 30 10 IEEE Cn1cc(-c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCCCCO)cn1 1729572026 KVRMQLZNSQORQP-UHFFFAOYSA-N 434.548 2.430 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1740587790 WYBYZBQAGQMUHV-UHFFFAOYSA-N 435.536 2.362 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1740594631 TXIIAWJVRPWVQC-GOSISDBHSA-N 428.581 2.191 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1740671830 PONFMPDYZWLBAV-UYAOXDASSA-N 445.589 2.183 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740696870 JCLANRVPZKBPIU-SBUREZEXSA-N 429.515 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cc(C)on2)CC1 1740703447 SUXNDWPNZBLICZ-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740989178 CZGWJJGTWJUSGA-CGTJXYLNSA-N 434.537 2.404 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1C(F)(F)C12CCC2 1741919572 CFKQHWLNIXEAOO-KBPBESRZSA-N 442.536 2.454 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1743248097 KXUVOHMZLXFIHF-NXHAUGRDSA-N 442.907 2.350 30 10 IEEE CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1743447638 QXJLOOQNLUITIL-RXVVDRJESA-N 425.493 2.191 30 10 IEEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1747912145 AIRZPFFBBAKGAK-UHFFFAOYSA-N 448.531 2.223 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1748669309 WOTZJQNNBRBSSY-SJORKVTESA-N 432.569 2.329 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1748808039 GVSPYOFWPLUSRD-GOSISDBHSA-N 425.514 2.225 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1749420809 DHSBDDNTQKEVPZ-UHFFFAOYSA-N 437.552 2.469 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1749429433 LYIRVKUZFBGGNV-UFYCRDLUSA-N 429.613 2.190 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1751262687 RNGQSBFPNDIFQN-APWZRJJASA-N 448.955 2.378 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(N)=O)c3)n2Cc2ccc(C#N)o2)n1 1751835762 IHPPXQWVJHGLQJ-UHFFFAOYSA-N 444.499 2.388 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1760157997 CGAFDEIORPTEGE-UHFFFAOYSA-N 425.533 2.128 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1760190259 OUVQJCYCAOAEQE-LJQANCHMSA-N 428.558 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H]1OC 1760214966 JXWXPCZMNSKNIZ-TZIWHRDSSA-N 430.516 2.199 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(N2CCCCC2)c1 1760247460 CAUJDDYTWSFRJG-UHFFFAOYSA-N 434.548 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760249879 BILSMAYZQXAQBH-PMACEKPBSA-N 440.592 2.238 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)cc2)CC1 1760269449 IOAPRFNHQRTJHW-IBGZPJMESA-N 425.508 2.325 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760306179 DAVSJBKFSMKIGC-ZIAGYGMSSA-N 439.314 2.350 30 10 IEEE C=C(C)COCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760361700 PVLNJWKWGKOIPJ-CVDCTZTESA-N 447.580 2.113 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760423942 QTVBYXYFGHMGEE-GOSISDBHSA-N 435.536 2.240 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCO1 1761304061 LRPKOFHERKHYSK-RTWAWAEBSA-N 441.532 2.252 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1763283534 RSYFRNUOPLIVHS-MMYRVIJDSA-N 441.561 2.140 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1764993754 ZYCHJAFYWRUZRI-FTHOYRMOSA-N 443.596 2.270 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(F)cc2C)CCOC1 1767481429 CEBRTCKRUAJOSV-DENIHFKCSA-N 429.496 2.349 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1ccccc1F 1770178095 XTEFWWKHLBUVHM-BXWFABGCSA-N 444.511 2.167 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1770734963 ACQLHEQCROEUPF-DOTOQJQBSA-N 447.465 2.013 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1771030585 WPILBZRKTHXBJV-VQTJNVASSA-N 438.532 2.403 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCN2CC=CCC2)cc1 1771534695 LJLIJOAUCFINQL-FQEVSTJZSA-N 449.559 2.082 30 10 IEEE CN(CC(=O)NCC#CCN1CCOCC1)c1nc2c(Cl)cc(Cl)cc2s1 1850340331 FBTGGBLGGYGHHQ-UHFFFAOYSA-N 427.357 2.491 30 10 IEEE C#CCSCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 1850464292 HPNJDQILQHXUSI-OAQYLSRUSA-N 441.597 2.065 30 10 IEEE C[C@@H]1C[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)C1 1851771986 AYVPZCTVWYWLBY-MJGOQNOKSA-N 443.548 2.264 30 10 IEEE O=C([C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851942623 IBJKRZLXJSIRDA-SECBINFHSA-N 439.362 2.188 30 10 IEEE C[C@H]1CC(=NC(=O)c2ccc(N3CCS(=O)(=O)CC3)cc2)NN1c1ccc(Cl)cn1 1852081558 KCQHRYRJCKONKT-AWEZNQCLSA-N 447.948 2.312 30 10 IEEE Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(CC#N)cn4)CC3)nn2)c1 1852973596 YMFYDYTUFUAJCY-UHFFFAOYSA-N 443.511 2.380 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2(C)C)ccc1F 1854581075 JMFGBRWJIDPONF-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cccc(=O)o1 1856994039 DPPIBUBJDKLASS-OAHLLOKOSA-N 428.466 2.099 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862181370 MYJBIJKAWJZJTP-ICSRJNTNSA-N 441.528 2.312 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862702209 XEDXTLILFXQMMS-LJQANCHMSA-N 438.436 2.108 30 10 IEEE N#Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 1868129299 JIKHSFWDRYLSLZ-UHFFFAOYSA-N 428.404 2.316 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2cccn2C)cc1 1874219783 DLZXJRRWPUZOEK-LPYMAVHISA-N 428.518 2.096 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(O)cc1O 1874352116 RWOIJHALQWCYNQ-SRZZPIQSSA-N 428.470 2.436 30 10 IEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c1OC 1874435107 NFUXDXOBNJZURJ-LSFURLLWSA-N 449.533 2.105 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)s3)CC2)CC1 1889224686 MSCXDSOXYJYRLN-UHFFFAOYSA-N 440.407 2.383 30 10 IEEE C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2010230354 ZANYUNSGXFNYLS-JOCHJYFZSA-N 439.553 2.288 30 10 IEEE C#CCCN1CC[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2024566009 NCBYQYMUJFICDJ-NRFANRHFSA-N 428.577 2.227 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634290 XRNVPASGULBHTG-KRWDZBQOSA-N 434.342 2.488 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2064276958 NEKPOJWUWXJYMP-UHFFFAOYSA-N 432.326 2.343 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2180148787 KEAWRRSCAUIREX-OAHLLOKOSA-N 439.306 2.431 30 10 IEEE C[C@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243390402 URQCOQWKDFVLEZ-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C=C(CS(=O)(=O)NC1CC(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243416588 LRVHCSTTWHKATR-UHFFFAOYSA-N 430.376 2.397 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)n1 2267119247 TUDKTGIZVQNSNO-SJORKVTESA-N 440.353 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267141165 IFEPTFXQJFKUPQ-CABCVRRESA-N 446.357 2.323 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2267232758 WLFGBFAGAVNLMH-MRXNPFEDSA-N 448.369 2.252 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267291657 TUVSIUXYFRVDJK-LALPHHSUSA-N 443.275 2.232 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267292984 KTHUDPFOKPCCLW-TZMCWYRMSA-N 443.275 2.233 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267519182 GNLRXFNTHNEUJM-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267583947 YVGLGONZUODSGT-XMMPIXPASA-N 439.365 2.023 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268648633 BFARGIXNGARVKC-UHFFFAOYSA-N 445.369 2.447 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C=C[C@@H](NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268653781 RDRVUVGKZOJBRK-HUUCEWRRSA-N 444.341 2.492 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1c(Br)cccc1C#N 2269728223 TXQQVECIZZQZKI-GOSISDBHSA-N 426.311 2.413 30 10 IEEE C=CC[C@@]1(CO)CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2287698295 DRRNPAMPOGABOX-QFIPXVFZSA-N 434.558 2.432 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2301372402 QSXJSFXDWQPDED-UHFFFAOYSA-N 439.749 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2302570826 DBDRIQARQVEEKQ-WNRNVDISSA-N 437.585 2.452 30 10 IEEE COc1cccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 2327904297 BZFYMHNYDICAOY-CQSZACIVSA-N 433.534 2.073 30 10 IEEE COC(=O)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(O)c(O)c1 2328398733 TUUYLQCLRQEXJJ-UHFFFAOYSA-N 444.469 2.424 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2366836641 POMIYLBZQABUFF-WFASDCNBSA-N 439.306 2.478 30 10 IEEE C=CCNC(=O)CN[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376460792 DACYIMWWJFITAA-GFCCVEGCSA-N 426.130 2.465 30 10 IEEE Cc1ccc(OCCN(C)CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)cc1 15102904 RVPNPPOCZPDYML-UHFFFAOYSA-N 444.557 2.415 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1O 21316836 KHXUTUSIMXYTLO-GZIVZEMBSA-N 449.443 2.161 30 10 IEEE CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)NCCN2CCOCC2)cc1 22694541 SFJVHJPHHPWPTQ-UHFFFAOYSA-O 429.610 2.352 30 10 IEEE COc1ccc(Br)cc1/C=N/Nc1nc(SCCN2CCOCC2)n[nH]1 59819244 YZVQMZWPCLFDIA-WOJGMQOQSA-N 441.355 2.446 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCCN(CC)CC)C2=O)cc1 96567166 VDEJCMIFFNNARO-QHCPKHFHSA-N 430.549 2.257 30 10 IEEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 103121730 BLZOSXNEUAYKAC-LAFOYAEKSA-N 426.425 2.334 30 10 IEEE COC(=O)c1ccccc1CC1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 463223640 QOWYHTDHEWLZEH-QHCPKHFHSA-N 440.588 2.420 30 10 IEEE CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CC1 464766251 TVMJNFDJDCJLEZ-NRFANRHFSA-N 441.551 2.491 30 10 IEEE CCOC(=O)[C@@H](CCOC)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 466741054 LJMCCKXGLAHQAH-OAHLLOKOSA-N 430.461 2.107 30 10 IEEE COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC(F)F 480776036 BVDFUKHVOWXPCP-GFCCVEGCSA-N 439.440 2.151 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC3CCN(c4ccccc4)CC3)CC2)cc1 484145520 SHINQRIIKIRWKX-UHFFFAOYSA-N 445.567 2.235 30 10 IEEE CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 490506132 VQROCNPKJCLHPJ-PMACEKPBSA-N 440.997 2.341 30 10 IEEE CCN1CC[C@H]2OCCN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)[C@H]2C1 502728743 YQSYNGPAAGWYCS-VQTJNVASSA-N 438.488 2.307 30 10 IEEE CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 505825108 IIFBNEMHKHHUEH-INIZCTEOSA-N 436.497 2.390 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(Cc2nc(C)no2)CC1 508723703 LEELFGFLJCIHSA-UHFFFAOYSA-N 434.548 2.431 30 10 IEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@H](C)c1ccccc1 515662392 ADRXAQGSYUQIBZ-GOSISDBHSA-N 447.560 2.175 30 10 IEEE Cc1cc(C)c(C#N)c(SC2=C(N(C)CCO)C(=O)N(c3cccc(C#N)c3)C2=O)n1 526696348 XJERRBICKYRYOZ-UHFFFAOYSA-N 433.493 2.243 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1 538206783 UXQOCFQLFKICAQ-UHFFFAOYSA-N 433.509 2.381 30 10 IEEE N#CC1(c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)CC1 540786400 KXRZQSUGAYQLFS-UHFFFAOYSA-N 431.539 2.254 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4)n3C[C@@H]3CCCO3)CC2)c1C#N 559117997 BLMFGDIPRIWGED-IBGZPJMESA-N 432.532 2.364 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCCC(=O)NC)CC1 567590683 ZEVRAWFSKCANPU-UHFFFAOYSA-N 441.532 2.414 30 10 IEEE N#CCn1cc(C(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2ccc(F)cc2)ccc1=O 586551386 GVEJDSVRXQPOMA-FQEVSTJZSA-N 439.468 2.456 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 589521113 DFFYSUYNUHHJPY-UHFFFAOYSA-N 428.558 2.451 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 603592491 XFTHFFUNCVLDFN-SFHVURJKSA-N 437.525 2.288 30 10 IEEE Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 611645002 XKOOJBQQALZYBK-SFHVURJKSA-N 426.498 2.238 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(CC#N)CC2)c1 744559867 XYCBVDAJOGIRGU-UHFFFAOYSA-N 446.960 2.442 30 10 IEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C1CC1 754416684 OTBLRFFTFLPVOM-UHFFFAOYSA-N 429.336 2.261 30 10 IEEE CO[C@@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 757470629 KLOXEGIJKPDBBD-RBBKRZOGSA-N 448.475 2.087 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 758634764 HXFCMZMLEAMJOB-VQTJNVASSA-N 446.596 2.339 30 10 IEEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 765055381 QVBSZVRHGNHXSQ-UHFFFAOYSA-N 437.573 2.449 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 772899162 SXNFIBSMUZIKKZ-UHFFFAOYSA-N 434.475 2.417 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 774030819 SUIAKVJUQNIBOW-OAQYLSRUSA-N 439.537 2.313 30 10 IEEE CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786682343 GYHKKHFCOKREJV-GOSISDBHSA-N 449.598 2.284 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1 788914967 ICPKATZIMCOPOY-QGZVFWFLSA-N 431.487 2.479 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 791228472 GCTMFGUFOBGRFM-UHFFFAOYSA-N 447.557 2.214 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)n1 802354192 JDPZDYWJDPZZNC-FQEVSTJZSA-N 439.516 2.185 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(F)F)C3)c2)c1 802586565 RNQYHOSOZBNQQN-LJQANCHMSA-N 442.418 2.304 30 10 IEEE C#C[C@H](N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1)C(C)(C)C 807935186 CGDSBDKZBWZUAA-LFADMSOISA-N 443.617 2.040 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)c1ccc(F)cc1 812755032 JNCAAGIMXBRSDP-INIZCTEOSA-N 425.279 2.357 30 10 IEEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775141 LPFGGHUCFKRBKJ-LJQANCHMSA-N 446.504 2.311 30 10 IEEE Cc1cc(N2CCN(C(=O)COC(=O)COc3ccccc3C#N)CC2)nc(C(C)C)n1 918839359 FZKXXIRQAUWWKQ-UHFFFAOYSA-N 437.500 2.051 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)NC2CC2)n[nH]1 1083952253 JGTCSCISPMQMCO-UHFFFAOYSA-N 439.549 2.182 30 10 IEEE C[C@H]1CCCN(C(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)C1 1084165566 VUAWMDNSJAUHML-NSHDSACASA-N 448.465 2.418 30 10 IEEE CCc1nnc(CN2CCN(C(=O)CSc3n[nH]c(NN=C(C)CC(C)C)n3)CC2)o1 1084626732 JZUBSHIOMXVXOP-UHFFFAOYSA-N 449.585 2.021 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC(=O)NOC)c1 1134635601 XIOWWRBMDYKBHN-UHFFFAOYSA-N 437.905 2.129 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3cccc(OCC(N)=O)c3)C2)C1 1135544108 CVHJBYHYYLLDAY-HEOKHYPTSA-N 428.489 2.276 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)c1 1153253716 NWMASFWUPNWIAA-HXUWFJFHSA-N 440.521 2.401 30 10 IEEE Cc1nsc(N2CCN(C(=O)CC3(O)CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1160237261 UCMXOJBQIWQSOH-UHFFFAOYSA-N 449.577 2.124 30 10 IEEE COc1cccc([C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)OC)c1 1167674589 LYQIMBNVWRNKHG-GOSISDBHSA-N 431.514 2.018 30 10 IEEE Cn1c(=O)[nH]c(N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c(C#N)c1=O 1187784117 XTWDRLCATQCROG-OAHLLOKOSA-N 431.537 2.199 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1 1213789051 HBDDSAUMZZVXDT-UHFFFAOYSA-N 448.545 2.241 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)C(C)C 1272120121 GOPOQFDOSGKNBO-MRXNPFEDSA-N 427.910 2.423 30 10 IEEE CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1278295384 BNURCMXEGREUOA-KRWDZBQOSA-N 443.525 2.278 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286387095 NUSUDUKHKKNUOL-PGRDOPGGSA-N 430.574 2.287 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1286484097 HNSAWTOFIXXVAL-UHFFFAOYSA-N 432.484 2.134 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCc2cccc(C(=O)NC)c2)CC1 1286490221 ITHMXJCPXFBKCX-UHFFFAOYSA-N 448.571 2.114 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286499016 CSEWHCGCLVYZOM-MRXNPFEDSA-N 443.573 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1286522544 KRGWQPWLTREMKE-RVKKMQEKSA-N 426.633 2.021 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1286615176 HSQPCOOWEANDKK-UHFFFAOYSA-N 447.543 2.407 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1286619325 ABWLGMDAQCCDMV-KUHUBIRLSA-N 437.953 2.277 30 10 IEEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1286823288 LPUMMZOWVYWNPG-INIZCTEOSA-N 427.582 2.475 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 1286960128 CNKKYQGAWXYRLD-CYBMUJFWSA-N 432.330 2.324 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1288976707 CKWDILAZQYBKAJ-LAUBAEHRSA-N 443.577 2.207 30 10 IEEE N#Cc1ccc(NC(=O)CCCS(=O)(=O)N2CCCC2)c(I)c1 1288996658 KBTLSVOGWZQBDD-UHFFFAOYSA-N 447.298 2.307 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1CCCc2ccccc21 1289233851 YENLUWXYJKVAQE-OAQYLSRUSA-N 441.553 2.199 30 10 IEEE C[C@@H]1c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)n2CCN1C(=O)OC(C)(C)C 1292290794 PCTRNTMBKVFVKA-GOSISDBHSA-N 445.564 2.488 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N(C)C)CC1 1300683407 NRBPRSBAUFQCDA-KRWDZBQOSA-N 444.967 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCCC2)CC1 1300727124 WMIOXHOTCVUTJJ-UHFFFAOYSA-N 439.535 2.279 30 10 IEEE COC[C@@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1301039044 HGFVAAJKNQNZGO-BLLLJJGKSA-N 429.269 2.473 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H](C)C1 1301415546 WGIRTLPUZBBCCI-MSOLQXFVSA-N 438.536 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1301596046 GARITDQNHFZCCH-KNQAVFIVSA-N 446.573 2.482 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCOC3)n1CCCOCC(F)F)C2 1302990194 WVTXVYNMSXLXLZ-CQSZACIVSA-N 448.474 2.379 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCCOC(F)F)cc1 1302993799 GOCVHZXOVYXDQJ-HZPDHXFCSA-N 449.414 2.472 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CCCS1 1303848087 HKFSOGPMVYFRCA-WBAXXEDZSA-N 426.612 2.304 30 10 IEEE CCOC(=O)c1nnn(C2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1C(F)F 1307993313 VEJMGNKLLGYDSJ-INIZCTEOSA-N 432.431 2.128 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1312309553 WVVNPUZRALROAE-NRFANRHFSA-N 435.590 2.476 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCCOCC(F)F)c1 1316532338 XCPXSIUELSUGNT-NRFANRHFSA-N 433.459 2.484 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1352573153 ANHFWWWDJGJOFY-UHFFFAOYSA-N 442.497 2.159 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1358872740 YJDGJEUXBVKKJP-QWHCGFSZSA-N 429.468 2.413 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1358929811 IHULDXSISZSTFV-IEBWSBKVSA-N 447.561 2.267 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358960335 CANXGBUDWAMBHK-ZWKOTPCHSA-N 445.614 2.499 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966193 JQDITLQSCHINPU-HXUWFJFHSA-N 433.622 2.123 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(F)(F)CO1 1359017094 UEJUHSYBIQPSTF-IAGOWNOFSA-N 433.434 2.432 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)n1 1359028524 VKCJEZLGYUGLRU-HXUWFJFHSA-N 435.488 2.125 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359128773 FQVOKOXMBJXRSC-UHFFFAOYSA-N 437.566 2.205 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1359260385 CGSJBPBXJAKLAR-ZOKDDAQRSA-N 431.537 2.472 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359294182 NJADYOXSAYKXPS-DOTOQJQBSA-N 429.521 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1359314575 DCFCJQJKEKPLMP-YJBOKZPZSA-N 447.517 2.069 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1359335665 RBRCYJQWSCEXFH-JOCHJYFZSA-N 446.573 2.441 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1=O 1437804765 YMZUFDWWAGBKHM-UHFFFAOYSA-N 437.496 2.497 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2c(Br)nc3n2CCCC3)C1 1447476078 AMBFYIHMJHLRIF-NEPJUHHUSA-N 438.326 2.471 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 1447478547 CILQANIGLZJPDN-IGCXYCKISA-N 434.443 2.193 30 10 IEEE C=CCC1(C(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CCOCC1 1447984038 WQGKLBKEMBXKNT-SFHVURJKSA-N 435.565 2.430 30 10 IEEE COCC(=O)N1CCCc2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc21 1456448095 ZSXWBBRPFKBBPU-UHFFFAOYSA-N 445.472 2.301 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1462376135 HDMMPFWJWHMGBH-CQSZACIVSA-N 446.392 2.316 30 10 IEEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)nc1 1464462201 AVKCGKDYAXZIDR-UHFFFAOYSA-N 428.514 2.082 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1466922357 ZITXTCHAKOVZLO-SFHVURJKSA-N 430.553 2.498 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 1469226331 FZEGLIQFWXKBMP-ZDUSSCGKSA-N 447.586 2.477 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)C2)nc1 1471983411 CEUMTVSWSCZWKT-UYAOXDASSA-N 439.541 2.209 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)c(OC)c1 1471984049 NXTGHAFXJAONQQ-QZTJIDSGSA-N 449.511 2.426 30 10 IEEE C#CCN(C(=O)Nc1ccc(OCCOC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1477173838 QURPYIIOXHASQG-AWEZNQCLSA-N 445.335 2.129 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1477815154 AKJQEJDVBXCUMM-INIZCTEOSA-N 430.530 2.074 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCSC3)CC2)c1C#N 1492727794 ICQUNMIDOPCYHT-QGZVFWFLSA-N 428.610 2.470 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1495664244 FAHGPGLTEMIUPE-KFELILJXSA-N 428.537 2.323 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1503228211 LCXHQJQCAOVWEI-IBGZPJMESA-N 436.520 2.118 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CCn1cncn1 1503645200 IRTITCBNZPZMRK-UHFFFAOYSA-N 430.314 2.078 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1504957391 BECZXIUYSXGKPU-AEFFLSMTSA-N 439.582 2.099 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC(C)C 1507609999 CQNLQBLWHBHZFV-UHFFFAOYSA-N 432.569 2.377 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOC1=O 1507680907 LJONCDAZJOYRCP-UHFFFAOYSA-N 435.326 2.348 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1507686991 JTBHGLCQGHDKRY-UHFFFAOYSA-N 430.516 2.111 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1507728880 WBLGEDZLOSFSPD-FGZHOGPDSA-N 437.588 2.378 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1507731927 FGNRXVIEPXFJSP-IBGZPJMESA-N 447.486 2.045 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507801201 RULRMZVGNMHYBY-AOIWGVFYSA-N 431.562 2.335 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCSCCCO)CC1 1507882882 OLUXHKAYHRXOQE-UHFFFAOYSA-N 440.573 2.464 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)CC1 1507904858 UIMRQZLHJJYHPP-IBGZPJMESA-N 438.532 2.157 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507958997 KTAFYURAOZGOCU-JOCHJYFZSA-N 441.557 2.424 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1507981023 IGZJCRCNXRCPIJ-IBGZPJMESA-N 433.578 2.093 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(N)=O)c1 1512938632 NQHCFTIGKWNCDX-CQSZACIVSA-N 431.500 2.474 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1515397096 FDGFTPGWGOCHTE-FQEVSTJZSA-N 436.541 2.468 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C#N)o1 1517452096 ZUVRDDDAWFTFFQ-CQSZACIVSA-N 438.488 2.294 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1519356634 OMZYMHFHYGQZBT-NFBKMPQASA-N 441.532 2.254 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 1520701882 LEBTXXQXWYIFIV-FQEVSTJZSA-N 432.571 2.069 30 10 IEEE CCn1c(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)nc2cc(C#N)ccc21 1520826186 GBZQVPDBDSPTKG-AWEZNQCLSA-N 440.504 2.334 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2CCOCC(F)F)cc1 1521090172 RNHVQZPLZUHPSO-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1525163904 CWAXYICPZMZLSG-RXVVDRJESA-N 429.542 2.357 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1537498341 KPBVUHQLHZHZQI-YSGRDPCXSA-N 427.567 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(CC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539325416 IKGBFGQSQJFSAD-CEXWTWQISA-N 427.549 2.328 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)CC1CC1 1539327997 JYIHUAOUFGHFST-UHFFFAOYSA-N 446.523 2.435 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539417237 ZRGIVORRZRCSTD-GOSISDBHSA-N 440.596 2.453 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539441346 MFPUNSLIJZDKNQ-UHFFFAOYSA-N 445.564 2.197 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539998640 MLVKQLUINMOPJC-SFHVURJKSA-N 426.496 2.297 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1540398566 ZQCKBHZZPMGWEW-ZHACJKMWSA-N 428.510 2.071 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1540865158 WYHDNFJEUCVVQQ-APWZRJJASA-N 443.573 2.420 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1547221366 AGVBNKTWHFWHDL-LJQANCHMSA-N 447.547 2.229 30 10 IEEE CCOCCOc1cc(C)ccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1548286791 DPSQHOURBCNJBV-LJQANCHMSA-N 449.515 2.236 30 10 IEEE C#C[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1564722408 UHKHMXLRCVBANB-CQSZACIVSA-N 428.352 2.091 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1565437733 QOPWXTGCXGNCMP-KONPQCLYSA-N 441.536 2.109 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(CNC(=O)OC(C)(C)C)n(C)c2C)n1 1568521660 GYBCVKMMAOVKFA-UHFFFAOYSA-N 443.548 2.477 30 10 IEEE C#CCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)cc1 1569240626 IRXFJRLCWVATEA-UHFFFAOYSA-N 448.566 2.083 30 10 IEEE COC[C@@]1(C(=O)N(C)CCOCc2ccc(C#N)cc2)CN(C(=O)OC(C)(C)C)CCO1 1569934089 SAPLBEAKKLJBLL-HSZRJFAPSA-N 447.532 2.186 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1587579802 JXLXYYGXGFHXTK-WIEQDCTASA-N 448.614 2.139 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1587754609 HYYFPSVPZSGKAA-QGZVFWFLSA-N 447.543 2.053 30 10 IEEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1587867833 FSMFXXXAOHOMGV-QGZVFWFLSA-N 428.466 2.153 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588069498 PHVZRXCECXLXGS-LJQANCHMSA-N 432.615 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C3)[C@@H]2C1 1588148690 QVVPQFHBTZTNCM-KURKYZTESA-N 426.473 2.213 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1588314369 CMDZFNADAMWRRN-GOSISDBHSA-N 448.575 2.079 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cc(F)cc(F)c2)CC1 1588752795 WDTIGXMZYIDYIX-HSZRJFAPSA-N 445.514 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(C)=O)C1 1589577522 BXQMPONLMDMGPD-WHZJULEDSA-N 447.580 2.088 30 10 IEEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1593796071 GOVGUOKSBOEMAU-UHFFFAOYSA-N 449.559 2.148 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1594788701 QZFMRSINTRWNKI-INIZCTEOSA-N 448.474 2.353 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1594819967 PXPMAUSUXJVZCI-NRFANRHFSA-N 438.576 2.361 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC=CCO1 1595142183 OHSGASWMLLCTJX-CVEARBPZSA-N 437.591 2.488 30 10 IEEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595377238 SMWCSOMZOYRGPZ-UHFFFAOYSA-N 428.924 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1595765758 GGEZOFNZGBBEPM-UHFFFAOYSA-N 447.605 2.475 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CCO1 1596632848 GGWYUQMRKDAMBE-YSIASYRMSA-N 426.496 2.296 30 10 IEEE N#Cc1ccc(NC(=O)CN2CCCC3(CC3)S2(=O)=O)c(I)c1 1598243063 INRSEXNODPZGEY-UHFFFAOYSA-N 445.282 2.060 30 10 IEEE Cc1ccc(CSCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1612089496 JCPYTWDIBVXDSC-LJQANCHMSA-N 440.573 2.485 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1612241690 HMWKDMQYAIILEV-OAQYLSRUSA-N 447.536 2.432 30 10 IEEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)C1 1619039110 HURFLAMSGXSAHT-UHFFFAOYSA-N 437.592 2.315 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1619825392 QQDNPYXOFYTMJY-QFIPXVFZSA-N 427.505 2.151 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccnc2)nnc1N1CCC(F)(F)CC1 1620384555 CNNQQSHVICEGSB-FBMGVBCBSA-N 429.431 2.102 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br)C1CCOCC1 1622380418 ZJKAWWZVVMVCFL-OAHLLOKOSA-N 430.320 2.333 30 10 IEEE COc1ccc(-c2nn(CC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2C=O)cc1 1628796804 OPIDXXGVCQNMMT-FQEVSTJZSA-N 431.452 2.318 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1-c1ccc(F)cc1 1632410318 KDYCJDJNYSYFFE-UHFFFAOYSA-N 427.461 2.469 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1632646404 POTSKLJCDSOGLO-CVEARBPZSA-N 437.537 2.188 30 10 IEEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1634243785 NQPISVJSXAUDOJ-NRFANRHFSA-N 443.525 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCC1(O)CCOCC1 1635145035 OFIQCBJUONPUNR-IBGZPJMESA-N 429.517 2.440 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)cc2n1 1635708642 WFOQTIMKOSYORY-GOSISDBHSA-N 425.876 2.488 30 10 IEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1637212597 FOTUSBZZWNOUKM-ZDUSSCGKSA-N 433.534 2.391 30 10 IEEE CCOC(=O)[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCOC1 1642685218 OULSQIJCQKFLDK-VQIMIIECSA-N 426.435 2.121 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1645090476 BUZPQRGTERPREH-JXRXQSRMSA-N 435.521 2.000 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1648126689 MHHIOXVCHIVEQH-GAJHUEQPSA-N 436.508 2.431 30 10 IEEE CC(C)(C)c1coc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 1653138163 POWFTZAVOXKHJZ-UHFFFAOYSA-N 448.570 2.469 30 10 IEEE N#Cc1ccc(NC(=O)CN2CCn3ncc(I)c3C2)cc1Cl 1655680639 KUQNCIMIPXEOKB-UHFFFAOYSA-N 441.660 2.467 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)cc1 1663996274 GCGCZHHCVKMXHT-UHFFFAOYSA-N 427.931 2.375 30 10 IEEE Cn1cc(CNC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c(-c2ccc(C#N)cc2)n1 1681287638 LXKNICVUAPRCKE-QNBRMCRTSA-N 427.530 2.114 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)nn1 1686847930 KSKPLXVAPUXXPO-MSOLQXFVSA-N 434.541 2.068 30 10 IEEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCCN(C)S(=O)(=O)CC 1689957153 TZSFPZNAFFAJRW-UHFFFAOYSA-N 426.546 2.234 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1689988329 MXWHXPMRBABTSH-GHTZIAJQSA-N 448.976 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCNS(C)(=O)=O 1690037228 QUVMCXFZQNUMGG-UHFFFAOYSA-N 425.514 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCc2nnc(C)s2)CC1 1690144430 ZEIKMZNUAQWVAS-UHFFFAOYSA-N 427.578 2.304 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690159778 MLPWRBBXRXJVMK-HXUWFJFHSA-N 426.502 2.079 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690247699 DPJRYEZPZLUXLT-YLJYHZDGSA-N 439.626 2.318 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690315635 HYGCLOZZIDNNIY-UHFFFAOYSA-N 431.500 2.392 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1690399146 OODYPPVGIVLGDX-QHCPKHFHSA-N 440.548 2.263 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690428472 QQYCSCASFHPBBU-UHFFFAOYSA-N 438.580 2.082 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCOCC1 1690609735 YLQHGBVZAPVNSN-UHFFFAOYSA-N 443.548 2.328 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1690613586 NDRKSKSTCVUFBG-IBGZPJMESA-N 437.338 2.498 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1691359044 DIPITJCWXXKEQE-UXHICEINSA-N 441.532 2.274 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)cc1 1694517918 GEDKMXHQPZBJEI-FCHUYYIVSA-N 438.576 2.473 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CC(=O)N(C)CC 1694734556 GVDCNOKYSILXQP-UHFFFAOYSA-N 432.532 2.065 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC(=O)N1 1696848402 ZTACPPDMPFTIIQ-CQSZACIVSA-N 432.326 2.065 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCOCCc2ccccc2)cn1 1696853856 BAHLACCYXAQHMY-OAQYLSRUSA-N 435.532 2.447 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1698484569 SINMJWSDYKJUHA-GSHUGGBRSA-N 444.486 2.097 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[C@@H]2CCOC2)cc1 1698489383 PQSRGFOYSJUASK-RTBURBONSA-N 438.532 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1705495635 SIOSAFUSVUUZKH-KGLIPLIRSA-N 441.479 2.295 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1705613186 WZZDSJHFGBWKHT-UYAOXDASSA-N 433.622 2.437 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1705643132 SWXOCBCCBUKUNK-YADARESESA-N 439.560 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[S@](=O)C(C)(C)C)CC1 1705647689 IEOWZUQEUIHNAD-DRKIFQHWSA-N 449.621 2.033 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)c2ccccc2)C1 1705925457 PPNAAPBURUPDID-AZUAARDMSA-N 445.589 2.098 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCN(CC)CC2)C1 1705925834 UZRKWIPUOPHFMQ-NHCUHLMSSA-N 432.613 2.329 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1707218945 FKCCPAVGXUIOEZ-NQIIRXRSSA-N 429.546 2.071 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1710269433 WHFCULDWNOGWDG-TZIWHRDSSA-N 429.613 2.328 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)C(C)(C)C 1711085272 BDBFWAYRWFYPFJ-UHFFFAOYSA-N 441.561 2.400 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CC=CCC1 1712454536 OVEKLZPKFHNSRI-NRFANRHFSA-N 438.532 2.419 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722329778 DWFXZGGZMMRCND-UHFFFAOYSA-N 433.491 2.318 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722362588 NRWVUNCQWQBBMZ-MSOLQXFVSA-N 447.580 2.441 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccc(F)cc1 1722467340 RFDBSBBQXFJSEP-HRAATJIYSA-N 449.552 2.489 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1722474931 QUDSEVJCZISQFV-STXHMFSFSA-N 449.602 2.385 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CN(C)C)c2)CC1 1722574090 FYRCFGXIABBEHS-QGZVFWFLSA-N 446.621 2.401 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1722670995 FIWNCFGMUHKJNT-KRWDZBQOSA-N 426.521 2.443 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722680099 WYBLGDBZCFOUCF-SFHVURJKSA-N 436.520 2.010 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722694737 GGEKBGZXEXYLMQ-SJORKVTESA-N 442.564 2.183 30 10 IEEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)N(C)C 1723246845 HSGSWWVWPDLGKI-WOJBJXKFSA-N 437.548 2.434 30 10 IEEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)n1 1725084752 COTHSFMIQWKCJE-MRXNPFEDSA-N 428.543 2.253 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)[C@@H]1C 1726626308 BRYDIZJQHUPMSZ-IAGOWNOFSA-N 438.532 2.246 30 10 IEEE CN(CCC(F)(F)F)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1729495433 LXKOPPDRZYECLT-ZCXUNETKSA-N 449.437 2.179 30 10 IEEE COCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1730533181 BSWBFBUCYGANCB-LJQANCHMSA-N 442.480 2.019 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCOCC2)CC1 1731189580 HZLXVNCZVOXTCI-UHFFFAOYSA-N 426.496 2.463 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(-n2cncn2)nc1 1740538619 IYISSKDCKPBGCB-OAHLLOKOSA-N 429.444 2.335 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1740628532 YNJMKUBUDGOSFE-ZWKOTPCHSA-N 438.594 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1740653999 AELQMRPBSIKZBV-UHFFFAOYSA-N 433.604 2.000 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(O)CCCC2)CC1 1740700229 KPRPFFQLYMJNFV-UHFFFAOYSA-N 439.560 2.316 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740704015 IOAWMBFCNOAFCZ-AVRWGWEMSA-N 446.555 2.334 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCS(C)(=O)=O 1740753303 IAMPLNRAOHXHOE-WMZOPIPTSA-N 449.533 2.315 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1740793827 YJDPRQUBUUDTRA-LJQANCHMSA-N 435.532 2.020 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740864188 HJDKNYKABOSXFB-QHCPKHFHSA-N 437.548 2.435 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1740921182 NAQRFLHJYYBYIN-IBGZPJMESA-N 443.523 2.363 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1740962298 YPAIYHWQDNFJTA-OAQYLSRUSA-N 432.528 2.362 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)OC(C)(C)C1 1740964374 OAXITRZWSVWQPD-MRXNPFEDSA-N 429.521 2.172 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 1740980072 HNEDUCUXEKBZKI-IAGOWNOFSA-N 449.602 2.127 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1741647208 KDLRWYCECMEYET-SMDDNHRTSA-N 426.399 2.085 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1 1741885711 HWLIIHMVZPCJMM-MRXNPFEDSA-N 430.578 2.170 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1743418150 COJBRUHXKYBPEG-KRWDZBQOSA-N 436.520 2.148 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(O)CCS(=O)(=O)CC1 1748775513 MUKILQCIUUKSNU-HNNXBMFYSA-N 448.614 2.141 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1748955980 DUJXBIOHBWUEMR-QRWLVFNGSA-N 449.349 2.334 30 10 IEEE C#CCN1CCN(c2nnc(C3CC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1748986920 MIMMODMEDSGJHZ-UHFFFAOYSA-N 426.565 2.478 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1749016915 PTKAIKQBMGPUGH-GGAORHGYSA-N 448.571 2.211 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC 1749531403 GYFVKCKJRKVGNR-LJQANCHMSA-N 444.561 2.133 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(OC)CCOC1 1749586156 NKUKRYVKDHRUER-QFIPXVFZSA-N 429.521 2.148 30 10 IEEE CS[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750239761 KIQNCULDZKUYRH-BBWFWOEESA-N 442.593 2.300 30 10 IEEE CC(C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750656158 WJBUELVYUGKBLE-HTXNQAPBSA-N 446.577 2.030 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760249862 BFELVZSVGPETGS-REWPJTCUSA-N 428.508 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nc(C)cs2)CC1 1760271675 GJUHZSYMRUATCL-UHFFFAOYSA-N 435.557 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2scnc2C)CC1 1760272884 CSYPTNHQUOWTLO-QGZVFWFLSA-N 428.562 2.103 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1760355517 MYYNYSPIZVYYHF-KRWDZBQOSA-N 438.532 2.257 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760365614 CSDAXDVUBBDGRC-UHFFFAOYSA-N 429.912 2.127 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1760440626 NNLCYBBTVSMLCJ-LJQANCHMSA-N 449.552 2.279 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCSC1(C)C 1761477377 CTKQGDXUXDGNBT-HIFRSBDPSA-N 426.612 2.160 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCCCCC1 1761493416 HWELTTULEILSBC-VQIMIIECSA-N 438.598 2.104 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(F)(F)CO1 1768658991 JYWLGFIKYZPHOE-QGZVFWFLSA-N 430.459 2.446 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1772567092 MCCIYOKTBKAQRT-GOSISDBHSA-N 446.502 2.427 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 1772793019 RRNDWKXSGYLERH-UHFFFAOYSA-N 432.429 2.368 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)n[nH]2)c1C 1849189018 QNDXNTZLCCVEDP-UHFFFAOYSA-N 431.504 2.089 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccc(C#N)c(F)c1 1851399796 SYACTCCTRLFLHO-UHFFFAOYSA-N 448.472 2.474 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(C#N)c(F)c3)CC2)cc1 1852687919 IPGIARNFGSQJSV-UHFFFAOYSA-N 431.489 2.169 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1ccccc1 1852817566 DOIGBNHTBAQXAI-RTBURBONSA-N 428.558 2.336 30 10 IEEE C=CCN1CCN(C(=O)c2[nH]nc(Cl)c2CN(C)CCc2c(C)nn(C)c2C)CC1 1853498185 WUMSBVQIXAYXKU-UHFFFAOYSA-N 433.988 2.032 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 1853552346 ITRYIAMZAZRMFP-UHFFFAOYSA-N 442.491 2.236 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1854462334 PFVDQVWFYJQBAH-UHFFFAOYSA-N 429.473 2.078 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1(C)C 1856109638 LSKUTHLMPRUNKV-LJQANCHMSA-N 433.574 2.255 30 10 IEEE C[C@H]1CC(=O)N(C(=O)[C@@H]2COc3ccccc32)c2ccccc2N1S(=O)(=O)CC#N 1857461147 MKCWZPCWNYGQPF-GOEBONIOSA-N 425.466 2.174 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 1858325722 OJJRQHMASCYJTQ-QGZVFWFLSA-N 439.946 2.094 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCCO2 1862630869 CUOOMZVLEWLWCV-MPBGBICISA-N 439.420 2.146 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc2c(c1)OCCO2 1864441720 FBAPETKCKIORJA-FQEVSTJZSA-N 445.479 2.344 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc2c1 1865861827 IRKUSSOGDPBUPA-QMMBQJITSA-N 433.511 2.222 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2sc(C)nc2C)n([C@H]2CCS(=O)(=O)C2)n1 1870005088 WTTYUSKGGZNCIH-AWEZNQCLSA-N 436.563 2.142 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN1CCOCC1 1870653459 JDYSMOWVHBZQHT-UHFFFAOYSA-N 431.920 2.215 30 10 IEEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)ccc1O 1874434908 DJBFHQPIRSPKGG-LSFURLLWSA-N 449.533 2.192 30 10 IEEE CC(=O)NCc1nnc(SCCO)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874436351 XBPVPTCIWNGHKF-YDZHTSKRSA-N 439.497 2.100 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889425254 NYQZYKRHEIYFMZ-LJQANCHMSA-N 433.980 2.366 30 10 IEEE CN(CC1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1)c1ncccc1C#N 1891275206 JFEQFBANNNKGSL-UHFFFAOYSA-N 441.557 2.192 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1984914261 ZCUJYLSGLGHXOO-HRCADAONSA-N 427.542 2.332 30 10 IEEE C=CCN(CCC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985018252 RWAAVVDRRHOKQF-NRFANRHFSA-N 427.542 2.288 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060641749 MNKFIHNMUQMYJS-ZJIFWQFVSA-N 436.358 2.467 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)cn1 2174783564 DINQKZUSLHDKRQ-NSISKUIASA-N 426.498 2.421 30 10 IEEE CC(C)(CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243386741 GZEAMYAMTVPTPM-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247923340 XDFHYRXRXKOJEF-UHFFFAOYSA-N 430.257 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255830479 HBINXSZWQUXXNV-UHFFFAOYSA-N 449.382 2.381 30 10 IEEE Cn1nc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255834093 DNYDLSAEJJFFEW-GOSISDBHSA-N 425.338 2.398 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267283877 VHWGACAWEUYJAU-PBHICJAKSA-N 449.357 2.068 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267291572 RWXHOYWGXILSHK-CHWSQXEVSA-N 444.259 2.498 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267509917 CLNYTPCFHNBADT-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267819370 OMXXVOZSCVOKBE-HSZRJFAPSA-N 447.385 2.424 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2269702397 GTLRLLDOBIYCKS-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccnc2)C1=C(O)c1ccc(F)cc1 2296930312 ONFWRAKJUXXFLK-HXUWFJFHSA-N 425.460 2.365 30 10 IEEE COc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1 2328261384 JVUHMYGMOISMFU-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(O)c2)cc1 2328574632 JNHBEBMKOLUFAK-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2(CCO)CN(C(=O)OC(C)(C)C)C2)[nH]1 2337027180 BIURZCIOPUNIQO-UHFFFAOYSA-N 447.385 2.143 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2cccc(O)c2)n1)Nc1ccc2c(c1)OCCO2 20906336 LMSWSLIHOBZPNX-KEBDBYFISA-N 426.458 2.458 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 27559415 LCGMIZROGKSZIF-LJQANCHMSA-N 434.540 2.164 30 10 IEEE C=CCOC(=O)c1sc2nc(CN(CC(C)C)C[C@@H](O)COCC)[nH]c(=O)c2c1C 36206767 OXURHUPSALOWBI-OAHLLOKOSA-N 437.562 2.491 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1OC 100302929 CPGGYKLXJDZCLC-LYHOESIGSA-N 428.397 2.026 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl 410083493 AOXPUZVUVYXUMP-IBGZPJMESA-N 443.953 2.386 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 410119019 CDLODZRYKSXTKL-MRXNPFEDSA-N 430.496 2.368 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 426137436 OFLHDHIRJZEYKZ-UHFFFAOYSA-N 448.593 2.379 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3(CC#N)CC3)cc2)C1 429919910 FOHBQZGQYNGRGL-HZPDHXFCSA-N 425.576 2.325 30 10 IEEE COc1ccccc1CC(=O)N1CCC(NC(=O)NCCOc2ccc(C#N)cc2)CC1 465772909 AZWNDHXAJAZMHB-UHFFFAOYSA-N 436.512 2.479 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(CNc3ccc(C)c(C#N)n3)CC2)cc1OC 468719516 YGXFHAVBYVQFKF-UHFFFAOYSA-N 430.530 2.792 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)COc3cccc(I)c3)CC2)n1 469787205 NTUORMYYCPQVGZ-UHFFFAOYSA-N 448.264 2.285 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)nc1 474351761 CHYNQCXRAASACO-LJQANCHMSA-N 431.517 2.178 30 10 IEEE N#CCCn1ccc(NC(=O)C(=O)N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)n1 498696439 JXCHJYOCXOMGRM-UHFFFAOYSA-N 449.342 2.429 30 10 IEEE Cn1nccc1CN(CC(=O)Nc1sccc1C#N)CC(=O)Nc1sccc1C#N 507420020 HGBDXBRGCRLDIQ-UHFFFAOYSA-N 439.526 2.366 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC=C)CC1 508839716 HMRKTUDWTIMPDF-UHFFFAOYSA-N 430.940 2.121 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 508944552 FRELLBRUJRRPPP-KRWDZBQOSA-N 435.532 2.356 30 10 IEEE C=CCn1c(-c2cccnc2)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 508948060 ZAEIBLGGHNZMJI-UHFFFAOYSA-N 425.518 2.486 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513254495 MFEFHUCFIHGSDY-UHFFFAOYSA-N 449.368 2.232 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 513705887 NBDJMVRDGVINMZ-FQEVSTJZSA-N 442.541 2.179 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(-n2ccnn2)cc1 539493861 YVGGNFMTILQFPK-JPYJTQIMSA-N 447.518 2.466 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 549677933 MNGCTRXOPIFDEA-UYAOXDASSA-N 445.589 2.489 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(c2ccccc2F)CC1 557723581 HBHKUHPVJIILIZ-INIZCTEOSA-N 430.505 2.103 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 575956903 HPYSMGCNBMEXOC-QFBILLFUSA-N 447.561 2.289 30 10 IEEE N#CCn1c(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc2ccccc21 729767808 WGFDUSQSZPFOKC-UHFFFAOYSA-N 436.493 2.368 30 10 IEEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc(C#N)cc1 740204504 JNHUCYFJSVDWQY-CMQXMCPJSA-N 428.466 2.296 30 10 IEEE COc1ccc(S(=O)(=O)N2CCc3ccc(C#N)cc32)c(NS(=O)(=O)C(F)F)c1 769636279 SWMQFLUHKKBKHM-UHFFFAOYSA-N 443.453 2.283 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCOC 769873971 RNFRPNYMIRSBMS-UHFFFAOYSA-N 447.626 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 776995357 WTNZTMICJDVNPR-UHFFFAOYSA-N 426.477 2.163 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ncnn2-c2ccccc2)C1=O 782982131 SYDVCOPRIGLRFM-SFHVURJKSA-N 445.508 2.407 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786682911 MSYIVOOZPBRZEE-QGZVFWFLSA-N 435.571 2.030 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)c3c(c2)OCCO3)n1 788814331 NJQIBYOCTVAVOY-UHFFFAOYSA-N 434.290 2.339 30 10 IEEE Cn1ncc(-c2csc(=Nc3ccccn3)n2N=Cc2cc(Br)nn2C)n1 789989447 GUGNDURSAQGGDN-UHFFFAOYSA-N 444.322 2.351 30 10 IEEE C=CC[C@]1(C(=O)Oc2cccc(C(=O)NCC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 791807853 BZPZQPCQAMYZLS-JOCHJYFZSA-N 431.489 2.153 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 802575236 LDPKUEPRVLADHN-SFHVURJKSA-N 437.541 2.005 30 10 IEEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 805589378 ZTACZNRMQYAPKN-WMLDXEAASA-N 425.464 2.295 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)N(C)CCOCc3ccc(C#N)cc3)cc2S1(=O)=O 809357963 PBEAHKGAWCNCTC-UHFFFAOYSA-N 441.509 2.400 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccc(F)cc1 812748378 SBHSUIOGVGCYOB-SJORKVTESA-N 448.472 2.239 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 916179593 DHCQTBLSEOQHBG-UHFFFAOYSA-N 444.557 2.162 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cc1O 1084383685 DFZUZONBFASOHC-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)c3ccc(OC)cc3)n2N)c1C 1084541828 PGTZHESCFKISNQ-UHFFFAOYSA-N 440.533 2.421 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc(Br)cc2C#N)s1 1127580975 WCTGZDMCYAMQAL-UHFFFAOYSA-N 442.360 2.328 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1146468464 NKMUCEMKDOAAKR-RYUDHWBXSA-N 428.352 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)CC1 1150648594 LGIWSMXHKNTDCW-UHFFFAOYSA-N 441.528 2.327 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 1155874101 VEBRLRDHNYFVKL-UHFFFAOYSA-N 433.574 2.087 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1 1163431438 NEOPNIXXCKIAEX-VXKWHMMOSA-N 426.538 2.458 30 10 IEEE N#Cc1cn(CCC(=O)N[C@@H]2CSCc3ccc(Br)cc32)c(=O)nc1O 1165639817 YHQICFQHRHPPGI-CQSZACIVSA-N 435.303 2.077 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1174688146 QCAMOXCAAUCUFS-DLBZAZTESA-N 433.505 2.212 30 10 IEEE C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@@H](C)O1 1185029554 HJWVFIFPMYVUSL-CHWSQXEVSA-N 430.368 2.487 30 10 IEEE C=CCOCCCNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1231088991 PEOCJEYNXATOMD-GOSISDBHSA-N 438.569 2.080 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1286294677 FFUOHNFIFZKTOO-OTWHNJEPSA-N 446.596 2.386 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1286296927 STRGNRSYOBMGCY-BEFAXECRSA-N 430.530 2.073 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286338902 HCJAUEVWLRFEHY-LJQANCHMSA-N 443.573 2.371 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286356019 ILDVQHBCZRACJU-NRFANRHFSA-N 425.581 2.102 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1286431689 XMZORCHSHAYWJR-WIYYLYMNSA-N 446.555 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1286477386 ZHXSPFSYEMUSAK-PMACEKPBSA-N 436.608 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2nncn2CC)CC1 1286487025 LEULVBNYZIPUQG-UHFFFAOYSA-N 446.559 2.133 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(N)=O)C1 1286567056 ULMXLGMKFVTBQK-LQWHRVPQSA-N 425.533 2.192 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286689623 WZZLOEILJXOBRL-HXUWFJFHSA-N 437.548 2.387 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1286758574 RFIAQMOTRDMOQA-MRXNPFEDSA-N 439.582 2.273 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(C)=O)CC2)cc1 1286793296 CDSXAPACKVUPOO-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccon1 1286820282 ITVYKFQADSPWPS-GOSISDBHSA-N 445.501 2.016 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1)S(C)(=O)=O 1286975865 CWMHLWISTLSKIY-WIEQDCTASA-N 431.562 2.236 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1 1291686121 PFGCCNCTCSYKCX-UHFFFAOYSA-N 441.435 2.134 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCN(CC)CC1 1300314706 ICKXXQPSMSYVOT-SFTDATJTSA-N 448.619 2.248 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CSCCS1 1300458652 JVJWURPFSIPHJQ-KRWDZBQOSA-N 429.619 2.370 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1noc(CC)n1 1300625567 HNIPMGJPJIEASU-UHFFFAOYSA-N 435.536 2.100 30 10 IEEE C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)[C@H](C)COC 1300717599 GMXWQZDIFXOQKL-GDBMZVCRSA-N 430.954 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@H](OCC)C(C)C)CC1 1300719557 GVMQZOPLKNPTSF-FQEVSTJZSA-N 439.564 2.152 30 10 IEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300956156 PHWXUDAFMQIVCI-UHFFFAOYSA-N 428.512 2.158 30 10 IEEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300970309 OOBRKQACGFGCBI-KNQAVFIVSA-N 430.553 2.305 30 10 IEEE COC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301278317 PPCJKDLKISOURO-UGNPLGLKSA-N 442.564 2.400 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301595554 WGKGYPVFQZOCJO-IRXDYDNUSA-N 434.610 2.363 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1303000740 JILBMLUNOFZJQB-IAGOWNOFSA-N 442.486 2.175 30 10 IEEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)n1 1304087178 RDQQBUXSQLIDFK-UHFFFAOYSA-N 427.511 2.302 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)c(=O)n1C 1304362504 BMWIBXGOOSIVBZ-KRWDZBQOSA-N 434.500 2.009 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C 1305078465 HVRQOJNLZLYGPV-IRXDYDNUSA-N 443.573 2.239 30 10 IEEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1305098327 DQNCMCNIEWNZST-SJORKVTESA-N 447.561 2.025 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)s1 1306053771 CPOJAOLVVNQZHC-ZDUSSCGKSA-N 445.574 2.148 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1313493049 OQRVJGDMRLBXHP-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1313859047 JGFNYPFPEDMMID-ICSRJNTNSA-N 436.520 2.170 30 10 IEEE COCCN(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1316064823 BILFJBFZPCFJII-JOCHJYFZSA-N 428.585 2.238 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Br 1316100934 DJCKZDUIOUETLW-MRXNPFEDSA-N 447.337 2.406 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@@H]1C 1316125767 OIUGWGFWWMSCJZ-FQEVSTJZSA-N 435.576 2.236 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@H]1CCCO1 1319571624 JEERWBISNOSIKZ-GDBMZVCRSA-N 444.528 2.355 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1358929810 IHULDXSISZSTFV-HKUYNNGSSA-N 447.561 2.267 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)ccc1N1CCOCC1 1358952238 CJTDLNTXECYYMU-UHFFFAOYSA-N 437.523 2.233 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1358955061 CZFQQIMPPHDFNL-GOSISDBHSA-N 426.546 2.033 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1358965992 GEQXIWLUEQHXLT-KRWDZBQOSA-N 433.603 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCCCO1 1358976630 LGVBIGVTYBLTIJ-GOSISDBHSA-N 430.512 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1N1CCOCC1 1358991569 GQHJFFWRTWVBBE-UHFFFAOYSA-N 441.539 2.391 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1COCCO1 1359016146 REERYNCCTQOSNU-OFNKIYASSA-N 444.507 2.125 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1N1CCOCC1 1359027551 NIELUARYIXFVPY-OAQYLSRUSA-N 425.533 2.101 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2N2CCCCC2)CC1 1359028101 HIQZTVKKZMAWGS-UHFFFAOYSA-N 449.603 2.210 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1359106341 ATHXHVHVGAULHW-SFHVURJKSA-N 427.553 2.317 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359152563 ARUIWQDCVPGQCP-UHFFFAOYSA-N 430.940 2.092 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359203792 VZGIVLVSCHUKJE-ZWKOTPCHSA-N 438.594 2.311 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cccc(O)c1 1359291062 CVPAZQSDNLHKLP-OAHLLOKOSA-N 435.488 2.131 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1359300024 RQBQWBGSWCHZJV-MBSDFSHPSA-N 425.533 2.226 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1359301576 CMHURTOFQPXEQN-UHFFFAOYSA-N 440.577 2.110 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C(=O)NCCOC)CC[C@@H]3C)n[nH]2)c1C 1442313023 HXSLQTWILCAOPM-WMLDXEAASA-N 428.537 2.079 30 10 IEEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 1463899348 ORVYSCLTHWOUJC-QRWLVFNGSA-N 441.534 2.209 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OC 1464944693 TWHLUBQUCPTKPZ-QAPCUYQASA-N 448.520 2.050 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)n1 1470847227 PHEZXJWVUALCTF-GOSISDBHSA-N 431.537 2.216 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)C1CCOCC1 1470867930 ZKTYJZUZSLFIES-ROUUACIJSA-N 449.548 2.047 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C(F)(F)F 1471161873 OROHVIMKCINTOD-HUUCEWRRSA-N 433.452 2.460 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1471717755 DHDCMJQIXWWVNN-XMSQKQJNSA-N 429.521 2.016 30 10 IEEE COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)CN(C)CCc1cccc(C#N)c1 1473731947 KNUPRLXDCZTXFX-NRFANRHFSA-N 434.496 2.445 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1500569398 RKQVTRIPGFTIJI-DLBZAZTESA-N 426.521 2.428 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(C(N)=O)nc1 1507641358 CVKSEPUPRFBJPV-UHFFFAOYSA-N 435.491 2.417 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)COC(=O)N2 1507748298 MAMHNABVKMQYCS-UHFFFAOYSA-N 442.501 2.299 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1507787237 GRURUTBTFKGNHR-UHFFFAOYSA-N 449.353 2.248 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC(N)=O 1507808641 YVJSGOKSPZXJCL-JLHGSKIFSA-N 437.548 2.198 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1507965208 QAXYUVOFUJGSKK-RTBURBONSA-N 438.594 2.026 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C(N)=O)nc1 1509944588 AJJDXXRHZVNFEW-ZDUSSCGKSA-N 425.443 2.428 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2Cc2ccc(C#N)o2)CCOC1 1516138444 GERNNGLDXOYBSW-NRFANRHFSA-N 425.493 2.122 30 10 IEEE COCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518963681 FFPKNVDLERPWTB-FAKFISEUSA-N 425.533 2.313 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 1537430191 ASNFVSWTIGEWRA-XLIONFOSSA-N 427.482 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)C(C)(C)C 1538983078 NKQPBPJRZOCEJC-OHZJNBGDSA-N 436.603 2.354 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1539206951 XYUMZZYPNBXNCF-KRWDZBQOSA-N 434.587 2.334 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1539265498 GZFCHGTYBDFEHW-HNNXBMFYSA-N 441.538 2.018 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1539556681 GKCRDONHSKEAFJ-VQIMIIECSA-N 438.619 2.085 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1539643125 LCVSRRGEFZJMIP-ONTIZHBOSA-N 441.580 2.226 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1540169269 BBISRYUWCVZTJB-OAHLLOKOSA-N 433.509 2.136 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540867392 UZDNDONIDXGZQR-QGZVFWFLSA-N 426.521 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)C1 1541201889 OWWYBZQIWXHNCB-ROUUACIJSA-N 448.568 2.284 30 10 IEEE CNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)s1 1543057574 BGHFWWCUUWLJCV-UHFFFAOYSA-N 428.333 2.149 30 10 IEEE C#CCOc1cccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)c1 1543416002 AZQFMUZTSCVFII-FQEVSTJZSA-N 444.509 2.367 30 10 IEEE COC(=O)c1cn([C@H]2CCCN(C(=O)Cc3ccc(Br)cc3C#N)C2)nn1 1556099179 JZIDGMZTAFPGRN-HNNXBMFYSA-N 432.278 2.105 30 10 IEEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)N1CCN(CCC#N)CC1 1557980610 GRIWZNYBJXVFBZ-UHFFFAOYSA-N 426.521 2.119 30 10 IEEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1561197075 NIGXGDMIWDUUKJ-GOSISDBHSA-N 426.510 2.227 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3nnc(C)n3C)c2)s1 1566544410 YUGVJBNEWHISHA-UHFFFAOYSA-N 431.543 2.498 30 10 IEEE COC(=O)[C@]1(OC)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1584937342 JHAQQTRBVBRFRS-MBSDFSHPSA-N 443.500 2.183 30 10 IEEE C=CCN(C(=O)c1ccc(NS(C)(=O)=O)nc1)[C@@H](Cc1ccccc1)C(=O)OCC 1585015752 MCKQKGXBYXRIKL-SFHVURJKSA-N 431.514 2.256 30 10 IEEE COC(=O)c1ccn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1585625558 OIPYBAHFHSOBKJ-HTQZYQBOSA-N 435.271 2.299 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(F)cn2)CC1 1587803683 JUFGMWZHJQLYPD-UHFFFAOYSA-N 427.528 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ncc(CC)s2)CC1 1588930050 MDTBFGGUSLOHTP-KRWDZBQOSA-N 442.589 2.009 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1 1593758150 WHCPZUBGTLPLSW-UHFFFAOYSA-N 426.565 2.158 30 10 IEEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1593778657 ONGLCFKGJMTPPS-HNNXBMFYSA-N 434.433 2.132 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)CC1 1594192820 MMFDZNWHUKGMRY-MRXNPFEDSA-N 425.599 2.376 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594535530 SCHALGPRXDGZCV-SFHVURJKSA-N 431.562 2.011 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1594733001 KXNGNQGUHZKLMU-KRWDZBQOSA-N 441.561 2.364 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1594963382 SEVQFJIHDWFEFG-MSOLQXFVSA-N 445.589 2.338 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@@H](C)C1 1595297836 YTHKIYGTGDZHNX-QGZVFWFLSA-N 430.553 2.377 30 10 IEEE C=CCn1c(SCC(=O)N2CC(CO)(CO)C2)nnc1-c1ccc(Cl)cc1Cl 1595382749 QBNKZNAVNALKSP-UHFFFAOYSA-N 443.356 2.343 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cnn(-c2ccccc2)c1I 1595583257 BAFYIANAWURPDR-UHFFFAOYSA-N 438.225 2.006 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](CC)C1 1595811946 IEBRROGPMGBKJG-KRWDZBQOSA-N 428.562 2.354 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597337489 PMPGPAZTJAICBE-UAFUQJIBSA-N 441.580 2.068 30 10 IEEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1597801454 FNVZBINWOHWKDV-UHFFFAOYSA-N 436.495 2.233 30 10 IEEE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N(O)Cc1ccccc1Cl 1611650787 KNSVZHUWOFWTDI-UHFFFAOYSA-N 426.878 2.198 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1619589680 HVOFHKWVTUACJR-APWZRJJASA-N 436.520 2.481 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1619921516 OAAYBIIUMVZULZ-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1620070354 HHJFSKJFKYLSIT-MBSDFSHPSA-N 441.532 2.254 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2nnc3n2CCCC3)C1 1623753015 FDHXHCANFSYNIF-UHFFFAOYSA-N 429.322 2.044 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3ccsc3C#N)CC2)C1 1629304999 AMLGZDHSVWMRAS-QVKFZJNVSA-N 432.546 2.152 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1632839134 IAGJRGKKHVCILJ-ZHRRBRCNSA-N 439.516 2.184 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 1633651066 JVERTTRTQIVPNZ-CDHQVMDDSA-N 443.525 2.234 30 10 IEEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OCC 1635697952 GPVQHFNRTLBUHM-LJQANCHMSA-N 438.546 2.110 30 10 IEEE CCOCn1nc(C)c(C[C@@H](C)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1C 1636271089 RWMNQFKIKAXGAJ-HZPDHXFCSA-N 425.537 2.072 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1639270534 ZCGSQAYINBGVIE-KRWDZBQOSA-N 426.473 2.346 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1 1640073693 FIDXSPQJYODBHC-OAHLLOKOSA-N 437.547 2.311 30 10 IEEE C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1642375590 DEJKOLBTGMUQNN-SJLPKXTDSA-N 426.542 2.241 30 10 IEEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1643849547 DPTKHIQSXMKKDQ-SFHVURJKSA-N 445.516 2.062 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)OCc3ccccc3)CC2)nc1 1648926482 JGOTUTARISPQEE-OAQYLSRUSA-N 449.511 2.220 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccc4cc(Br)ccc4c3)C2)c(=O)nc1O 1653759498 AUAGUHQIPZDHQF-UHFFFAOYSA-N 425.242 2.433 30 10 IEEE COc1ccccc1-n1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cn1 1665589413 DYONOKIBTAGQSL-UHFFFAOYSA-N 441.488 2.403 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](CO)Cc2cccc(C)c2)c(C#N)cn1CCOC 1668605485 DKWDXXHVTXIUDC-SFHVURJKSA-N 428.489 2.216 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OCC 1671199157 MPCPUOGETFSCOT-LLVKDONJSA-N 429.438 2.156 30 10 IEEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1681447091 TUFFFADUOGLDFH-JKSUJKDBSA-N 431.541 2.262 30 10 IEEE CNC(=O)[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)Cc1ccc(F)cc1C 1682269525 RHYLEDHJYIAHHF-ICSRJNTNSA-N 439.491 2.168 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1683911887 KETBOYQVABRQCK-GCJKJVERSA-N 432.521 2.259 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)[C@@H]1CCS(=O)(=O)C1 1684351178 UHJOOYKJPOPGAL-NHCUHLMSSA-N 429.586 2.121 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1686962693 NEFKKVWGFJDRLG-UHFFFAOYSA-N 428.537 2.480 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC1CC1 1689824207 JZPKWXQSYRRBGZ-QGZVFWFLSA-N 443.573 2.430 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCOC1 1689851434 QWLVSAVHTNZDGT-KSFYIVLOSA-N 433.553 2.002 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1690170175 AYQZXSAIJBYSIZ-KRWDZBQOSA-N 446.527 2.200 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)C 1690560748 ZXURZHJDFGWIGL-LJQANCHMSA-N 435.532 2.066 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)C(C)C 1690581780 YNTYHBKUSPJHMH-OAQYLSRUSA-N 433.560 2.452 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)C1 1690700019 MPHOTVIXXWYZLT-OALUTQOASA-N 446.573 2.349 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1692580066 CFDXSABOPHKJMZ-FGZHOGPDSA-N 448.543 2.067 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1694514380 PMLOKPFPFTVAPU-UHFFFAOYSA-N 440.529 2.102 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)C1 1696927898 AOBGUUUFUHHSLB-NRFANRHFSA-N 432.475 2.451 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1697190727 AVJITVZFMBAEFA-LPHOPBHVSA-N 426.521 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1705493099 CFMGOKGVBSHRTP-PXNSSMCTSA-N 434.544 2.362 30 10 IEEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705508671 QWGVKEFZKWKCQP-KRWDZBQOSA-N 434.566 2.235 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705549649 DDFAKGCSVXIYBE-UHFFFAOYSA-N 429.528 2.067 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN(C(C)=O)C1 1705559185 UACLRGYLVHGZFD-GBESFXJTSA-N 444.580 2.377 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705658942 GFOUVVLSALGPKQ-MOPGFXCFSA-N 447.605 2.150 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705676606 HZDCJZVFJMRKBI-KHCICDEESA-N 442.608 2.280 30 10 IEEE C=C1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1705766509 CFRPSMKGIHBAGA-UHFFFAOYSA-N 426.546 2.330 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705819732 SRTNHAIDMPLQMS-LPHOPBHVSA-N 447.561 2.227 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1706941298 QHROJGOBMDMWOP-YWZLYKJASA-N 427.440 2.210 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1707952863 PTAQENAVRJMREM-NSHDSACASA-N 444.293 2.216 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H]1C 1710218464 FMPRXUHTILIEKT-QZTJIDSGSA-N 439.564 2.126 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCS1(=O)=O 1712453896 COEJTGNFCKBGBG-IBGZPJMESA-N 449.552 2.342 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC2(O)CC2)cc1 1712878720 JQKBUSMBRJZKFP-UHFFFAOYSA-N 448.449 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1722281683 ZFTUIRCXVONUFN-SJORKVTESA-N 429.496 2.264 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722471466 YKBLAAFJZLDUDX-NTKDMRAZSA-N 432.528 2.304 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccccc2)CC1 1722581523 IUDAWJDMJJOWII-AVRDEDQJSA-N 430.574 2.490 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722669236 BRGBSOROMZLBAT-QGZVFWFLSA-N 431.562 2.414 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C1OCCO1 1722673918 JMRPZZYSBRLVLJ-UHFFFAOYSA-N 441.532 2.247 30 10 IEEE CCC(CC)[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)OC 1727154231 GZDXOWDRVRARCB-ROUUACIJSA-N 441.536 2.495 30 10 IEEE CCc1nnc(N(C)Cc2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1727506423 QISDBGDJPPKSJD-MRCUWXFGSA-N 440.504 2.021 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](OC)C(C)(C)C 1730868705 KNJAIGYSHXEZIU-NZSAHSFTSA-N 434.585 2.240 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1740622375 CAIUKCRZZCEJKW-IBGZPJMESA-N 444.557 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NC1CCCCC1 1740647053 MZICGQHFSSYADX-DEOSSOPVSA-N 441.576 2.232 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCO[C@@H]2CCOC2)CC1 1740697212 VXWKOSMZGKYPKT-GOSISDBHSA-N 445.514 2.098 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(OC)nc2)CC1 1740700397 RMVRSSHWBJJFPT-UHFFFAOYSA-N 448.527 2.073 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740760705 KOROPMIYFLSXND-QYZOEREBSA-N 437.610 2.435 30 10 IEEE C=CCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740881904 TVTARRYUXVFADK-QFIPXVFZSA-N 432.569 2.281 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)C1 1740980878 RUQWFSZETWVVCF-HUUCEWRRSA-N 434.447 2.055 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1741124923 HFZLBDRUUTWLFD-AEFFLSMTSA-N 444.561 2.136 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOCC1(C)C 1741247259 FDFISEODCRQQNT-GUDVDZBRSA-N 446.596 2.036 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1741284231 APIISNBYSCPDRG-QGZVFWFLSA-N 448.474 2.438 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN1CCCO 1743678628 NAECGOYZAJGMMC-APWZRJJASA-N 439.564 2.173 30 10 IEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1747924748 IDEFLAYNWCHOFR-QGZVFWFLSA-N 433.438 2.430 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1748671696 MNOQLWQNOMXBTF-NQIIRXRSSA-N 439.560 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1748672672 WNYIQVCHORGZPM-AVYPCKFXSA-N 436.965 2.199 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(-n2cncn2)nc1 1748765840 WJZBETGJGZTCHM-UHFFFAOYSA-N 441.499 2.241 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCn1cc(Br)cn1 1749063957 JUUJSZPLTHOVST-GOSISDBHSA-N 429.326 2.330 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(SC)c2)CC1 1749329981 WYEAIFCYIULWBS-AWEZNQCLSA-N 436.607 2.456 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)CC)C1 1749664123 GQGYFYCGQRVTJT-HNNXBMFYSA-N 430.940 2.396 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1749677257 TWYOWVVULREFMT-KRWDZBQOSA-N 427.549 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCc3nccn3C2)C1 1749694504 SVHBBJISXYEIRW-PKOBYXMFSA-N 441.580 2.437 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COCC)n2CCn2cc(Br)cn2)C1 1749719647 YQWCMFCNDOKYRA-HNNXBMFYSA-N 425.331 2.255 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1751190981 DNZWZQKECXQTFC-QAPCUYQASA-N 430.534 2.089 30 10 IEEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)cnn1C 1751369494 BMQHZQMANDJFBI-KRWDZBQOSA-N 433.582 2.037 30 10 IEEE Cc1cnn([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)c1 1751724253 CYOJRCKWSDBEAR-IBGZPJMESA-N 448.531 2.163 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1760097075 ZZVCNEWIQHMWLV-QAPCUYQASA-N 431.924 2.125 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760153021 FSKMXRHKIKRUEZ-HXUWFJFHSA-N 434.544 2.350 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1760183831 UHIMVCXYEZMREF-RBUKOAKNSA-N 433.622 2.219 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1760186038 JLQPRJUGTNNIAC-IBGZPJMESA-N 446.621 2.397 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)Oc1cccc(OC)c1 1760193909 VLJGYSXXSQIPBL-SFHVURJKSA-N 444.495 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@@H]1C 1760213133 QTAMSJRQQAITON-MBSDFSHPSA-N 440.569 2.363 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1760226937 OPANDAYDJBZUBW-UHFFFAOYSA-N 443.573 2.211 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@H](F)C1 1760247738 NDXZWYNZYDWGJG-IAGOWNOFSA-N 438.507 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccnc1OC 1760249000 SZVGMVNEMIRKSX-UHFFFAOYSA-N 445.483 2.132 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2ccsc2)CC1 1760268078 LAJGBJQDCOLFRG-JOCHJYFZSA-N 438.557 2.208 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cccnn2)CC1 1760284298 KOLKVVXHJHMFGW-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760296044 YEZOZKBLRMQJIR-PMAPCBKXSA-N 425.508 2.257 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760376843 GGIBYWBIGTWHBC-KRWDZBQOSA-N 436.969 2.021 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1760461430 SOXNSYHYZFVWIN-UHFFFAOYSA-N 437.504 2.139 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(C)CN(C)C1=O 1760502574 DHGNELZDGNWCFY-QHCPKHFHSA-N 435.532 2.248 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760532152 MBAMCFKOMZIUCI-LJQANCHMSA-N 438.576 2.333 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)C1 1760549281 ATQZPEOOTPIERC-RXVVDRJESA-N 434.924 2.443 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760844585 YUNUAACUEQPZQG-ROUUACIJSA-N 438.488 2.093 30 10 IEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1762149046 BOCPBMAYFKFTJX-QGZVFWFLSA-N 431.500 2.147 30 10 IEEE Cc1nc(Cc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1762279659 SRCIQHMIQIHUOE-YJFMBZAYSA-N 441.561 2.252 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1765008527 YLCMPMNBZNOXMG-QGZVFWFLSA-N 425.537 2.082 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@](C)(C#N)C1 1766848725 RZSWIMBDYROCPH-DNVFCKCGSA-N 443.596 2.202 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1770166081 RKRQHJBPXVROFP-UHFFFAOYSA-N 441.532 2.399 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)C1 1771528611 CHNFRSXIIZJXNL-XMSQKQJNSA-N 426.496 2.321 30 10 IEEE C[C@@H](C(=O)N1CCCc2nc(C#N)cc(Br)c21)n1nnc2ccccc2c1=O 1849314040 HBXCPTLNMVSMRY-NSHDSACASA-N 439.273 2.361 30 10 IEEE N#Cc1cccnc1C1CCN(C(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)CC1 1850753964 MSVXGJKHWWVDSG-UHFFFAOYSA-N 430.512 2.438 30 10 IEEE CC(C)[C@@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)N1Cc2ccccc2C1=O 1851596860 RXQRYKSNUUSTBK-QFIPXVFZSA-N 447.539 2.299 30 10 IEEE Cc1cccc(C)c1N(C(=O)[C@H]1CCc2nn(C)c(=O)cc2C1)C(=S)N=CN(C)C 1852389238 WGVSHKKOPXEPDM-INIZCTEOSA-N 425.558 2.410 30 10 IEEE C[C@H]1C(=O)N(C(=O)COc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854625963 DDESBQVAOKQJAT-AWEZNQCLSA-N 447.900 2.039 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(F)c(F)c2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644359 GHOUQGVLNBMZDM-NSHDSACASA-N 437.399 2.037 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CCN([C@H](C)CCC#N)[C@@H](C)C3=O)nc12 1856282965 PMOJFWXPPJCVMB-CABCVRRESA-N 429.546 2.493 30 10 IEEE N#CCC1CCN([C@H]2CCCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1857197065 HTYHASFUBIIDPP-SFHVURJKSA-N 430.940 2.100 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCN(CC)CC1 1870740382 RVGUCNULKJFJIO-UHFFFAOYSA-N 440.544 2.198 30 10 IEEE CCc1nc(C2=C(N)N(C[C@@H](c3ccc(O)cc3)N(C)C)CC2=O)sc1C(=O)OC 1872796190 PFIPAQZXIBHRPI-HNNXBMFYSA-N 430.530 2.013 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874338412 VSJRRYIMJFZNPB-UMXKZIAQSA-N 446.489 2.058 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(OC)c2)cc1 1874350468 NWURQYBRGWSCGK-FSJBWODESA-N 441.513 2.354 30 10 IEEE C=CC1(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2(O)CCC2)CN(C(=O)OC(C)(C)C)C1 1993333609 HWWSZXUNSHEHPI-AWEZNQCLSA-N 425.526 2.086 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2009793131 GMRIYZPFZNDCNS-MOPGFXCFSA-N 430.501 2.264 30 10 IEEE C=C(CNC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2077059149 PTARIJADRSCUNB-NRFANRHFSA-N 435.330 2.446 30 10 IEEE CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2126930382 FVPSEVAXPHVDFH-HSZRJFAPSA-N 446.353 2.321 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128722659 VNKRJIIKBCJXGN-SFHVURJKSA-N 448.369 2.268 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)ccc1F 2174778795 BEFYDOIISHUUQO-QGZVFWFLSA-N 433.461 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@H]21 2224118753 BATZDMAIKOAIBH-IAGOWNOFSA-N 431.342 2.205 30 10 IEEE C=C(CS(=O)(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2243434617 ASSOGONIPMQZQR-KUHUBIRLSA-N 428.360 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2247833717 KQRQYAGOHYJCOS-UHFFFAOYSA-N 437.733 2.383 30 10 IEEE CC[C@@H](C)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248404701 MCLXLRUSZXXJBJ-GFCCVEGCSA-N 440.375 2.233 30 10 IEEE CCN(CCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248444977 GFFGYPHYHVNPAY-UHFFFAOYSA-N 440.375 2.235 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255534860 MXGYECZPQJDWFP-NSHDSACASA-N 447.288 2.116 30 10 IEEE Cc1ccnc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255637153 AHVLAINBMZQFHC-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1CN(C(=O)OC(C)(C)C)C1 2255699984 WAQSRKLIJZQRAR-CQSZACIVSA-N 433.358 2.310 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255826344 ORANPQKYANYNNF-OKILXGFUSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2256678903 RWAWFSYCCZWVFN-BRWVUGGUSA-N 434.342 2.407 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267097227 YCUFXVLKCJNZFO-CQSZACIVSA-N 448.373 2.474 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267136347 JNCDBVRKGNNQJZ-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1 2267179728 UOHHIEGPICUNOY-UHFFFAOYSA-N 448.373 2.403 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267236715 DZMMUIHDVJOMJC-QZTJIDSGSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268787606 VYMBORNYUAJMGU-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)OC1(C)C 2282182355 RBOFTGOYZOQPRI-DFBJGRDBSA-N 448.376 2.370 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300338541 XYBYLHGQWVFBPF-BETUJISGSA-N 437.371 2.475 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303167495 PQGXEPFZVKJACC-ZIAGYGMSSA-N 426.319 2.138 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2337198971 PSNOQZFDVWMXNT-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N(CCC(N)=O)c1ccc(F)cc1 16564531 PRSLLJJHDFZDFK-UHFFFAOYSA-N 438.415 2.455 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 63354805 WIDAJUNWWWCXJP-RBUKOAKNSA-N 428.489 2.269 30 10 IEEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2 72133212 HXKYOPGLNFUGRW-OAQYLSRUSA-N 440.540 2.283 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1 72472377 CNSXHZYHQPJZIS-MAUKXSAKSA-N 429.436 2.377 30 10 IEEE COc1ccc(C2=C(N3CCN(C)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC 170056298 VXICJBPHEOPVCX-UHFFFAOYSA-N 432.480 2.107 30 10 IEEE CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409478381 QSWVFIMZFMKVCN-WBAXXEDZSA-N 430.933 2.062 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(-n4cc(C(=O)OC)nn4)c3)cc2C1=O 410231379 YEUQMKWZFPLAEH-UHFFFAOYSA-N 431.408 2.088 30 10 IEEE Cc1nc([C@](C)(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C2CC2)no1 433300931 GDKHYMCMCJBGEJ-DENIHFKCSA-N 426.496 2.141 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)c(Cl)c1 439996561 FMELYPRLIBFGBO-UHFFFAOYSA-N 437.887 2.236 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 460856528 MJTINAHUHDSMIT-LJQANCHMSA-N 433.578 2.460 30 10 IEEE CC(C)O[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 463804640 BJKDJHPBNHQFPR-RBUKOAKNSA-N 434.562 2.166 30 10 IEEE COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c(C)c1OC 478604294 VZHFHXPYHOTUKY-CYBMUJFWSA-N 433.486 2.198 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 482637184 KCGZJPHTQMONIJ-UHFFFAOYSA-N 440.569 2.338 30 10 IEEE COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 486491407 BPXGLOZYXLODIU-UXHICEINSA-N 433.512 2.246 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(Cl)c1 503862739 QMUNGGWVVRTAFJ-ZWKOTPCHSA-N 444.944 2.089 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)N(C)C)CC1 508915773 YXNMKXZXYAQADC-UHFFFAOYSA-N 445.593 2.037 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 511926019 JHFDIVYSMSZAHU-UHFFFAOYSA-N 437.521 2.291 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 520103684 DXTWVNCNVFKVOM-UHFFFAOYSA-N 433.574 2.452 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C[C@H](C)C#N)C2CC2)CC1 533600311 UXBNKRCNWZIVHU-CQSZACIVSA-N 434.518 2.455 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 549219043 JYLZABDKFOEXEK-KRWDZBQOSA-N 447.561 2.161 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 549290239 KVLDJEOFKGRLIV-FQEVSTJZSA-N 425.533 2.475 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cc1F 579896899 VGRAUDZBGWZXEJ-UHFFFAOYSA-N 441.506 2.336 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3(C#N)CCCC3)CC2)cc1 585705326 PTMIOIBTUBECDL-UHFFFAOYSA-N 433.530 2.217 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c(F)c1 586864018 HVDNRRPGQHILMV-MRXNPFEDSA-N 445.292 2.471 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 729183492 FFDXKSXAVORKPT-UHFFFAOYSA-N 431.367 2.492 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCCC#N)C1=O 730141020 YRWKUNWVCCNVTI-GOSISDBHSA-N 426.546 2.252 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CCN1C1CC1 732664610 RSEKSIAFOGMMHB-INIZCTEOSA-N 435.509 2.139 30 10 IEEE COC(=O)c1coc(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2cc(O)cc(Cl)c2)c1 738009627 WFGBKJSAISHRAC-AWEZNQCLSA-O 439.897 2.420 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H]1CCOc2ccccc21 742144704 SWUOFMOPIMQJMZ-LJQANCHMSA-N 447.516 2.000 30 10 IEEE COc1c(O)cccc1/C=C1/CN(S(C)(=O)=O)C/C(=C\c2cccc(O)c2OC)C1=O 747439939 KZKMTKNHAOQLHN-VRNBXGKJSA-N 445.493 2.426 30 10 IEEE C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1N)C(=O)Nc1sc2c(c1C#N)CCC2 750416576 MZJDVBVTWWMURO-JTQLQIEISA-N 433.511 2.278 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCN1C1CC1 751068616 RYKYCQMRSQDXMK-OAHLLOKOSA-N 432.527 2.067 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1c(C)nn(C)c1C 775572835 CWLXVGNYTYJVNR-LJQANCHMSA-N 445.589 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 777205896 SAFABLWBFFJBGZ-GOSISDBHSA-N 429.473 2.233 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 780256862 ZWSGNMZNDRFQNJ-SSKFGXFMSA-N 431.489 2.058 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 782416792 UXHTYEYNPBBNLH-QGZVFWFLSA-N 429.473 2.233 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)C1 784667362 PQSSODOTOMHIJM-OALUTQOASA-N 428.537 2.267 30 10 IEEE CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1C 788708115 RIHDPSPOBFZMJX-FQEVSTJZSA-N 439.582 2.223 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccc(Br)cc3[nH]2)cc1 788995285 PUFGGWQMRHMOGR-UHFFFAOYSA-N 449.286 2.219 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1 794299550 MSCBNBXZJSRPRY-ZJBJCVSYSA-N 449.573 2.080 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CCN1C1CC1 800051911 VWUBVWHZEUBMDI-LBPRGKRZSA-N 444.742 2.111 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 809926020 HADSUSHXLJQCMX-SJORKVTESA-N 437.541 2.014 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)C1 1154865225 AGFXDFRYMCFMRW-NRFANRHFSA-N 426.538 2.260 30 10 IEEE C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175428680 RQLONQMVHMKQFF-GEYWLOKFSA-N 437.537 2.256 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3cccnc3C#N)CC2)cc1 1189337209 CTYBEUHIUUPSSZ-MRXNPFEDSA-N 430.555 2.275 30 10 IEEE COC[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1CCCOC1 1197844916 PTLFMESUVOJRCO-WFXMLNOXSA-N 444.576 2.387 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1266808950 HWIYANDGBCFBNA-JQHSSLGASA-N 434.374 2.260 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCO[C@H]1C 1286368407 YSRMYADNESLKKG-ORAYPTAESA-N 435.322 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2COc3ccccc3O2)CC1 1286486243 JQXLYGSQNNAOEF-GOSISDBHSA-N 437.544 2.381 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286542298 UDZURQAHHDHQCI-INIZCTEOSA-N 444.337 2.284 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 1286545886 CNZZFVSRHWMEAX-BBWFWOEESA-N 446.577 2.432 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286546424 JGMXTHGXXQDLNY-FJIDUMEYSA-N 425.599 2.243 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1288519767 PXMRUPQDPIZXGT-DLBZAZTESA-N 443.552 2.165 30 10 IEEE CO[C@@](C)(C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(=O)OC(C)(C)C 1290747633 GAZYDPPTMGSHQJ-QFIPXVFZSA-N 427.505 2.122 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1295017143 HQZMUVNOTXRRBB-MRXNPFEDSA-N 446.577 2.150 30 10 IEEE Cn1cccc1-c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)NCC(F)F 1298864586 LPKZSCOXPYSGOV-SJORKVTESA-N 439.470 2.408 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 1300206115 DFTZSXRBWNAUFM-JTSKRJEESA-N 426.542 2.006 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@](C)(O)CC)c1 1300334273 JYUFPDULWNDCMN-XMMPIXPASA-N 432.528 2.481 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 1300755445 SJXGTJDMWOPMES-UHFFFAOYSA-N 439.589 2.399 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1300790041 FLVFEADPVBSKRJ-ZGNKEGEESA-N 426.517 2.494 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301491625 URCKSMGZAUPJBW-MRXNPFEDSA-N 441.536 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)N(C)C)C1 1301565671 FORBFHAVIJBDMS-ROUUACIJSA-N 428.537 2.078 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1301967584 DZBHYKPAXZWCKB-PKOBYXMFSA-N 431.562 2.383 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1C(C)(C)C 1301970060 BRLFVUPUSNRSFK-CQSZACIVSA-N 441.565 2.260 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)F 1303470179 OLPQORFHYSVSDS-UHFFFAOYSA-N 426.493 2.236 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c1C 1304028718 HQZNTDUCDDOTGT-CVEARBPZSA-N 448.474 2.145 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C(C)C)cc1C 1304381656 COQDMBZTANCZMD-XMSQKQJNSA-N 426.521 2.283 30 10 IEEE C[C@@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCO1 1304931055 CBWJHMMVGCKULJ-MSOLQXFVSA-N 438.532 2.260 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1312615289 HLEYPVVTNMHRFJ-GDAAHCPNSA-N 433.553 2.403 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCCCC2)CCOC1 1314100049 FULTZJSOHLGVCY-JOCHJYFZSA-N 430.553 2.073 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCSC1 1314700589 FDUBSGCTZHMHLR-MRXNPFEDSA-N 447.586 2.248 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)c1 1315345497 HIESPJUJFZEWOW-CQSZACIVSA-N 433.534 2.278 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)cc1OC 1315423880 OKYSZIXPGXPLQK-IBGZPJMESA-N 440.548 2.301 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1316018162 KQVXQBBAFJPCAE-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](SC)C(C)(C)C 1316101270 GDPKFBLPSCZRLR-HZPDHXFCSA-N 443.639 2.324 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1316213090 YRQLUHQBBFODBY-IUODEOHRSA-N 429.399 2.283 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1358905202 UYXDBZBCMNGTNE-LJQANCHMSA-N 444.605 2.327 30 10 IEEE C#CCCCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1358917354 OPNSKIFBFRQPJQ-NRFANRHFSA-N 438.594 2.137 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1358958180 JEVJAJWNGKQPKP-INIZCTEOSA-N 448.936 2.023 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1358961154 SINSGOOCYJEURN-INIZCTEOSA-N 442.570 2.088 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1nnc2n1CCCCC2 1359021703 YGIYCCVGRXFEOF-UHFFFAOYSA-N 435.532 2.406 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCC2)CC1 1359038571 AXOLYRJOSZOHHD-UHFFFAOYSA-N 428.968 2.362 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 1359045454 HXQJZSODXXNXNZ-UHFFFAOYSA-N 446.559 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2csc(CC)n2)CC1 1359047352 CSTIYEMBQCULMD-UHFFFAOYSA-N 430.578 2.042 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1359062372 FSLAWVDFIJUOBW-IAGOWNOFSA-N 442.651 2.434 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359080897 HZKUCDNVNGVXEL-INIZCTEOSA-N 449.353 2.020 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1359298186 QEYBLURWRTYNPF-QGZVFWFLSA-N 439.564 2.021 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359303715 YQZNQAQLTLNPIL-FPOVZHCZSA-N 439.560 2.379 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1360284046 KZRCHCYBCWVMPC-GOSISDBHSA-N 426.521 2.116 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1360284047 KZRCHCYBCWVMPC-SFHVURJKSA-N 426.521 2.116 30 10 IEEE C#CC[C@@]1(C(=O)N2CCc3c(CC(N)=O)cccc3C2)CCCN1C(=O)OC(C)(C)C 1438369835 AXEXCUYANZOSJD-DEOSSOPVSA-N 425.529 2.392 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)[C@H]3CCCC[C@H]32)s1 1452965236 BKZYJFQDPDJBKY-IXDOHACOSA-N 440.587 2.335 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CC2)c1 1464287522 BAPJPXGCXRNSJH-FCDQGJHFSA-N 434.562 2.083 30 10 IEEE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@](C#N)(c4ccccn4)C3)CC2)cc1 1473703774 YYQYCOSIJHFSBB-WIOPSUGQSA-N 435.572 2.130 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)CC1 1475696793 BDGQRJUAJJSMIG-UHFFFAOYSA-N 443.363 2.310 30 10 IEEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1503584013 FWUMHVMYPCOPQQ-UHFFFAOYSA-N 447.528 2.105 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1COc2ccccc2O1 1504888007 ZDUMWDUHHAXBHE-LJQANCHMSA-N 434.500 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nccs1 1507649046 XRCLBUBFAJZSSO-UHFFFAOYSA-N 443.536 2.354 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCS(=O)(=O)C1 1507806350 HKQXSYLVSYCFPQ-INIZCTEOSA-N 425.599 2.424 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507856605 CMDHVUINRMVJTO-HZPDHXFCSA-N 446.943 2.131 30 10 IEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(C)(=O)=O)CC1 1507901687 OBSVOSMUJNPLAX-UHFFFAOYSA-N 425.505 2.099 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507937291 RWTLEYHUTZXAOW-GOSISDBHSA-N 425.537 2.050 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1507968612 VZDBRVYRUQOMOP-RBUKOAKNSA-N 448.593 2.119 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1508090842 PTYFQHUIXNEEEK-AZUAARDMSA-N 441.532 2.061 30 10 IEEE Cc1noc([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C2)n1 1511951056 GGDHJDUJOMLBPB-LJQANCHMSA-N 437.504 2.291 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 1512417825 AUGSBDHRMDILHN-RTBURBONSA-N 437.592 2.456 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C#N)o2)C1 1517682943 SSMWBVUDRSZGRS-OAHLLOKOSA-N 437.456 2.378 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1519390296 UEFDUXYMUUNTIU-SFHVURJKSA-N 440.548 2.317 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCc2c(OCC(N)=O)cccc21 1522314622 IFXBSOGUDILHGZ-MRXNPFEDSA-N 430.505 2.417 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 1525683557 IMISPTBOODXEGG-HOTGVXAUSA-N 439.468 2.272 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 1529449264 ULLLYNKSXQBYIS-UHFFFAOYSA-N 443.257 2.390 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1539012135 IZGSIJKMXLPVHH-QZTJIDSGSA-N 435.569 2.250 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C1CC1 1539346567 GIBUQAWMHIRION-UHFFFAOYSA-N 443.621 2.490 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(Cl)c2)CC1 1539431708 WZWYNSLSROYQIK-JOCHJYFZSA-N 429.952 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](OC)C2CC2)CC1 1539474424 QKOVXBXJHOOVPR-SFHVURJKSA-N 442.951 2.384 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539614648 AYTSFKFMHKQUJE-NSHGMRRFSA-N 430.597 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCCC1 1539615705 KQRZOSHJKDQRLC-SZMVWBNQSA-N 425.599 2.496 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539736505 ZLERFPHNZQXHAS-SFHVURJKSA-N 426.521 2.102 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1540136508 IIPPLYREVPRPJE-KRWDZBQOSA-N 447.536 2.138 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1540308057 HZNPUHJKZDRSLT-OAHLLOKOSA-N 431.942 2.029 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1545156131 DKVFIPLMDGLWMI-KUOYXJDGSA-N 439.545 2.197 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1546528185 GDBLECTUWVOIJC-QGZVFWFLSA-N 448.497 2.318 30 10 IEEE CN(C)CCOCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](F)(C#N)C1 1552875297 DHHOXMZCWSYQIF-JOCHJYFZSA-N 425.512 2.301 30 10 IEEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@@H]1CC[C@H](C)C1 1555532036 DHWSUCMRAWTRQI-QFBILLFUSA-N 446.577 2.007 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCSC1 1555663776 NGCLTURWHBQWMT-AOIWGVFYSA-N 434.610 2.322 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OC(C)(C)C[C@H]2O 1558635002 BNPCSNBQAHYCBU-FZKQIMNGSA-N 429.498 2.458 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1560056653 QOAZQUBBGBYJRF-DEOSSOPVSA-N 437.519 2.231 30 10 IEEE COc1ccc(Cn2cc(NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cn2)cc1 1562770993 AAOIPTJKVQYYSW-INIZCTEOSA-N 432.488 2.344 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1 1564799114 XUUWSSQHPZUFKN-UHFFFAOYSA-N 436.512 2.173 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C 1566409947 PODCFTWKIPJACZ-PXNSSMCTSA-N 448.527 2.433 30 10 IEEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)COc2cccc(Br)c2C#N)O1 1585053310 IQSXKURRLLDQBU-XCRHUMRWSA-N 439.306 2.121 30 10 IEEE COc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)c(F)cc1C#N 1587092167 INXLNFFHNPPATO-NRFANRHFSA-N 426.404 2.120 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1587766001 NJBYKZSWRYSWJC-LJQANCHMSA-N 427.553 2.379 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1588054779 PSJJAYBXGKDZIM-PMACEKPBSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1588064289 FQJYQDPLRNHWNK-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(SC)cc1 1588140126 UEEZTTKJDHYAGC-GOSISDBHSA-N 428.583 2.218 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn2ccc(C)cc2n1 1588173709 HJJBVSRTSKGGQY-UHFFFAOYSA-N 438.495 2.393 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1593776796 QSCAZOVTCJKMSS-UYAOXDASSA-N 449.596 2.084 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1594829631 NSEWKOVKPDXRET-MRXNPFEDSA-N 447.565 2.429 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1)C1CC1 1595033816 QWYVQRVISPYBRL-GOSISDBHSA-N 432.546 2.309 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)cc1 1595614031 MGKGSALRNRTJKT-FQEVSTJZSA-N 425.533 2.454 30 10 IEEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1596609803 HITKNHZOVBXJRH-UHFFFAOYSA-N 441.956 2.094 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 1596985954 YEVAANVIQHERFE-XQBPLPMBSA-N 449.559 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1 1611535310 QRVNBVNMUJMURV-JOCHJYFZSA-N 431.489 2.466 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C[C@H](C)O1 1619753867 FVZQXAKLBSMDTH-DSKINZAPSA-N 441.532 2.395 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@]1(C)COCCO1 1619899659 DTXPWNIREVCXPG-HSZRJFAPSA-N 449.515 2.065 30 10 IEEE Cc1ccc(NC(=O)Cc2nc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)cc1 1620635689 VTGQLWFMELEZPC-MGPUTAFESA-N 430.555 2.003 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cc([C@@H]4CCCN4C)[nH]n3)c(C#N)c2N)cc1 1621094037 OPADINAQOXGUFQ-NRFANRHFSA-N 432.532 2.487 30 10 IEEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1625144503 RMNMSMROVNVZIM-AAXCNWCCSA-N 440.544 2.247 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 1631745671 XGTWXIAOEMIJMZ-VYDXJSESSA-N 428.537 2.325 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnc(S)n2C2CC2)C1 1632623825 JAPUPXKEVZEEGH-UHFFFAOYSA-N 433.335 2.288 30 10 IEEE C[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1632769070 LMYLMTQOVFATDX-SNRMKQJTSA-N 444.532 2.034 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOc1ccc(Cl)c(F)c1 1635631301 JGQKLRJOYNTDOT-LBPRGKRZSA-N 425.869 2.213 30 10 IEEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1638528558 HURBXEQCZBDYSQ-HOTGVXAUSA-N 435.406 2.493 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1649541374 DXDJWJIPDDPMCR-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C[C@@H](O)CC1(C#N)CCC1 1654175031 WHCGXMXDZBFNTR-ZNMIVQPWSA-N 433.471 2.284 30 10 IEEE COc1ccc(-c2csc(NC(=O)[C@H](C)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1654974510 DJEUOYPPAYJURE-ZQGRQUNCSA-N 446.554 2.016 30 10 IEEE C=C(Br)CNC(=O)N1CCC(n2nncc2I)CC1 1677678737 HGDGURCJTAHSTK-UHFFFAOYSA-N 440.083 2.138 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)C2=O)cc1 1682227999 XXTYBJLQZPNDLI-NHCUHLMSSA-N 443.511 2.212 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 1682559776 FPKRSMJBWCMXCS-UHFFFAOYSA-N 430.512 2.251 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)[C@H]1CCS(=O)(=O)C1 1684351179 UHJOOYKJPOPGAL-RTWAWAEBSA-N 429.586 2.121 30 10 IEEE C#CCCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1689906618 PJYSANMMMPHXLZ-GHTZIAJQSA-N 438.594 2.137 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC(C)CC1 1689959547 DCMWKJBVYPJDLS-SFHVURJKSA-N 443.621 2.428 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1689992377 KELAVDKUEGIYMQ-LJQANCHMSA-N 428.489 2.276 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)[C@@H](C)CC 1690039720 QHLDCIQPSWIHHP-IBGZPJMESA-N 431.548 2.114 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C#N)o2)CC1 1690117548 LDIHUMGKLKEQFU-UHFFFAOYSA-N 432.484 2.230 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690168189 ZRAVXRKCRRQYRV-FUHWJXTLSA-N 425.558 2.377 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690196429 KGZBQUWBFPOHIE-XMSQKQJNSA-N 438.557 2.090 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1690247059 ZIBIRYSWJGKENX-MKXGPGLRSA-N 438.594 2.024 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690661183 WKWLZSQOBKNLQV-HSALFYBXSA-N 436.560 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690662172 SZTCVYVDXVOTKM-DOMZBBRYSA-N 437.342 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C)C(=O)[C@@H]1C 1690663186 OVEHRZVWSYXHBW-CABCVRRESA-N 442.589 2.101 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1690668594 BBZLGRIOEQVNJU-WMLDXEAASA-N 427.534 2.009 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1690676857 GQRUDJGOXGDLNL-WAIKUNEKSA-N 443.523 2.495 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)c(OC)c2)C1 1690700268 PWOUXGHHAYLJIE-MOPGFXCFSA-N 446.573 2.327 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1691003436 GYQZTAMDELGPLW-YLJYHZDGSA-N 440.548 2.497 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCO 1691229131 GPLASSBLHFTRJV-IRXDYDNUSA-N 434.541 2.241 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1694352292 VHUFEEHJTNUFHY-OALUTQOASA-N 443.596 2.188 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1697774551 FIEDOTATLXAMKK-GOSISDBHSA-N 440.458 2.057 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1705495352 OPBUGYDGDFDEAB-JTDSTZFVSA-N 449.552 2.012 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)c(COC)c1 1705587973 QIWACNLQWLUELY-RXVVDRJESA-N 426.492 2.409 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C)cc2OC)CC1 1705634581 CFGVDVCYKWLXFL-IBGZPJMESA-N 427.549 2.123 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1705672197 OJNKKTBDBUIMKN-XMMPIXPASA-N 447.543 2.145 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705815425 VQWIQPJHLDULOW-SFHVURJKSA-N 427.505 2.024 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705831003 ZRAXLBWQYPKZBE-FQEVSTJZSA-N 447.580 2.188 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1705906893 RUPHTMNTTXFTRH-LJQANCHMSA-N 429.521 2.029 30 10 IEEE CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1706651774 QJFCWRVTWRFJAU-UHFFFAOYSA-N 425.537 2.095 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1708650661 JDZYLALITRRKCL-HYFFOGBASA-N 439.495 2.250 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1712526431 XEAIWMXNBZYFEY-AOMKIAJQSA-N 430.553 2.143 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1NC(=O)CC1(C)C 1722277233 HYYVNAQAXSLVFR-IUODEOHRSA-N 433.354 2.419 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 1722312623 JCAGQCZQDSATFA-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC(F)(F)CO1 1722424015 YFHOJEGMUVCJHQ-MRXNPFEDSA-N 434.443 2.227 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@](C)(O)c2ccco2)CC1 1722445683 WBNIYYBMOFONBC-DEOSSOPVSA-N 433.512 2.412 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@@H]1C 1722659182 QIPXEXGEGFTBPJ-OPAMFIHVSA-N 431.512 2.288 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1722668459 YZUHAPPXVLMFCM-UHFFFAOYSA-N 426.912 2.217 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1740564879 AONXWZTXFYDPPP-UHFFFAOYSA-N 426.569 2.060 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740590522 HWWJHURXIDKUQN-KBWCOIMZSA-N 442.608 2.012 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1740622058 SWSGRIUZEMPNHS-QGZVFWFLSA-N 431.562 2.030 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1740645509 OFMWULXBAZPJAA-GUDVDZBRSA-N 432.590 2.094 30 10 IEEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1740806743 DIEAGMJMZSRJLS-UHFFFAOYSA-N 432.937 2.327 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1Cc1nnn(C)n1 1740920149 FTYHLZWVBQTTMK-UHFFFAOYSA-N 436.499 2.043 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740940172 WHRFGZDJABEACY-UHFFFAOYSA-N 444.536 2.273 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 1740980074 HNEDUCUXEKBZKI-IRXDYDNUSA-N 449.602 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1740993937 GIASGAXHCIPHBH-FQEVSTJZSA-N 430.574 2.279 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1741030506 HWIYVQDSSGYDDY-FCHUYYIVSA-N 436.560 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)on1 1748680040 NHDKLETVKKVPIY-IBGZPJMESA-N 433.560 2.445 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1748825021 VNFWDSGYMWGOHU-IBGZPJMESA-N 428.558 2.173 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749023734 VNZDVRTWRBGPJM-INIZCTEOSA-N 427.640 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC2(CC1)OCCO2 1749658326 NOYORYKMUVQRJM-UHFFFAOYSA-N 446.939 2.418 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Cl)cn2)C1 1749693575 KUKVIGPEHNSCAX-MRXNPFEDSA-N 442.911 2.257 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1760143307 BYHDEVNTROEZRP-DYESRHJHSA-N 430.509 2.003 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1760181976 GAVIPBYEUIELNR-VGOFRKELSA-N 448.589 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H](C)C1 1760201665 HJOMZVVQXPKQAP-ROUUACIJSA-N 430.512 2.080 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCC(O)CC1 1760207522 MQQFWFBCZXJXCF-UHFFFAOYSA-N 435.572 2.394 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)on1 1760244420 UWCAZSGDXKPKCC-UHFFFAOYSA-N 433.310 2.477 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760334070 PDBCACFCBAWHAV-PKOBYXMFSA-N 445.593 2.342 30 10 IEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1)C1CC1 1760475425 HDJJKBBJEHJMGS-HNNXBMFYSA-N 429.529 2.077 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nccs2)C1 1760518104 IYBMUZSGASHVAS-CQSZACIVSA-N 445.936 2.330 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760522507 VFODADSSNCYLCJ-UHFFFAOYSA-N 427.509 2.014 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1760523274 RVAOZKYGOFARNZ-UHFFFAOYSA-N 433.516 2.430 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760525620 LNTVXQIAWYOSRN-HXUWFJFHSA-N 434.548 2.221 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)CN2CCOCC2)CCOC1 1761437654 PHMBWEUFJMQPMW-WOIUINJBSA-N 434.585 2.025 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1764069456 FFYLDXSZSAAGQW-MUGJNUQGSA-N 434.585 2.097 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1766698913 CXUNFSWTBCIKDU-QAPCUYQASA-N 434.541 2.283 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1769499673 HTFLPCFLKCRSFV-JOCHJYFZSA-N 442.520 2.024 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1770051919 QFXSNDWUAJBCJZ-VAMGGRTRSA-N 434.585 2.099 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1(C)C 1770659422 VIRWMVYTBRAOQG-GOSISDBHSA-N 447.561 2.025 30 10 IEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCCc4nc(C#N)ccc43)n2)c1 1849739379 OOHXZRIIHASDGH-UHFFFAOYSA-N 431.452 2.174 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1)[C@@H]1CCN(C)C1=O 1850379597 LRQDODXBUMBYMJ-YLJYHZDGSA-N 436.560 2.070 30 10 IEEE CC(C)(CN1CCCN(C2CCS(=O)(=O)CC2)CC1)C(=O)Nc1ccc(C#N)cc1 1851218802 LTIRQPCYHKZWLR-UHFFFAOYSA-N 432.590 2.108 30 10 IEEE N#Cc1ccc(C(=O)CN2CCN(c3nccc(-c4noc(C(F)(F)F)n4)n3)CC2)cc1 1851296113 VEQOOCAOAGQEJD-UHFFFAOYSA-N 443.389 2.422 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)n1 1851808023 MFARBNURNRDCQM-UHFFFAOYSA-N 430.386 2.334 30 10 IEEE COC(=O)[C@@]1(NC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CCOC1 1852608876 MGSZYJUHEGKOMM-HYBUGGRVSA-N 433.464 2.094 30 10 IEEE Cc1ccc(N(C(=O)[C@@H]2CCN(C)C2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1852669343 QRNILKRKODUVSM-QGZVFWFLSA-N 429.546 2.285 30 10 IEEE Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)nc4)CC3)nn2)c1 1852686646 RSVQDOFOCGVSQD-UHFFFAOYSA-N 429.484 2.185 30 10 IEEE C=CCN1CCN(C(=O)CN(C)c2nc3ccc(OC(F)(F)F)cc3s2)C(=O)C1 1855374585 VHVXRSXVTUTYOA-UHFFFAOYSA-N 428.436 2.488 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 1860924801 JYDYBZPOJIYVDC-JOCHJYFZSA-N 435.524 2.274 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(N(CC)CC)cc2)[nH]1 1871697779 IPMQCHKPDCVMBD-UHFFFAOYSA-N 441.580 2.483 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CC(n3nc(-c4cccc(F)c4)ccc3=O)C2)cs1 1890105299 FJRLLMREXQNWNA-UHFFFAOYSA-N 439.472 2.119 30 10 IEEE C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)N4CC(Oc5cccnc5C#N)C4)cn1c23 1891852720 KXWKSRIJHCFQCL-NSHDSACASA-N 438.390 2.403 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 1892310096 HSNZAQWEZCMLJU-UHFFFAOYSA-N 425.448 2.051 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900450539 JCMLOJGEUVEPLK-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2010152140 UYDSNJARQSJPLS-IKGGRYGDSA-N 439.553 2.027 30 10 IEEE C=C(CNC(=O)[C@H](Cc1ncns1)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2020858504 YCWFBGOFDFCMDF-ZDUSSCGKSA-N 438.359 2.278 30 10 IEEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085657450 ULXCTIFTIINROA-OAQYLSRUSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2247840183 IXQHWJYVYUGJKN-UHFFFAOYSA-N 435.355 2.135 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255651068 UFWFHQGQBZYWSS-AWEZNQCLSA-N 435.305 2.259 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256737306 YDYRCHJDRBOORJ-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CC1(C)OB(c2cncc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2267595442 WDFFSYQZSXPBRV-NRFANRHFSA-N 437.349 2.012 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2267596305 MTWWMNKMIJADQJ-QHCPKHFHSA-N 446.353 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268656383 WSSAWFJGYHTDSN-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE Cc1nc(NC(=O)[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268720845 CBMOGZZNYWCTPC-PEBXRYMYSA-N 444.341 2.280 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271374592 HDXVUQDRQNQYAH-GOEBONIOSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)c2)OC1(C)C 2282186359 TULINCSGPIJULK-VXKWHMMOSA-N 449.360 2.106 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC2(C1)OCCO2 2282829919 MLIDVVXHJVMWIA-CQSZACIVSA-N 443.396 2.320 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1C 2296114308 WHSNCFKNVQXCTR-SFHVURJKSA-N 429.473 2.303 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccnc1 2326765593 ZODGXBVVWKZZJR-UHFFFAOYSA-N 427.486 2.428 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccn1C 2330718625 YHHHLPIPBPKKCL-UHFFFAOYSA-N 439.545 2.483 30 10 IEEE COc1nc(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786936 UBUNQQJUICDVFQ-HZPDHXFCSA-N 449.357 2.118 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2C1=O 14795507 RJELVLLLYVGEBG-UHFFFAOYSA-N 427.482 2.280 30 10 IEEE Nn1c(N/N=C/c2ccc(F)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20528087 YBFMRLMOEXJPRT-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)cc1 58997042 VDUKCKLRHYOJKY-WSDLNYQXSA-N 426.502 2.416 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccc3O)n2N)cc1 59829664 NVEYPZICURMUBT-WSDLNYQXSA-N 427.490 2.273 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1OC 102505172 XMCVEFJSELXDDQ-GOBJLOIFSA-N 425.485 2.472 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2CCS(C)(=O)=O)cc1 432673518 WDVYKCQGOCIPRX-KRWDZBQOSA-N 443.591 2.314 30 10 IEEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1(C#N)CCN(Cc3ccccc3)CC1)C2=O 479290876 UFYINSHKKCIPIP-MHECFPHRSA-N 437.544 2.162 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 505666117 WIHUCIYFTYKPFH-QNWVGRARSA-N 446.507 2.398 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)N(C)C)CC1 508466117 SOAXQCWRUUEZQQ-UHFFFAOYSA-N 429.521 2.462 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(Br)cc4)n3C)CC2)c1C#N 508967552 JFQVARRRYYGWLK-UHFFFAOYSA-N 441.337 2.485 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 509003918 ZJKUTCCUSVHPTH-HUUCEWRRSA-N 431.459 2.179 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccn2)c1=O 514329482 IAEZJLWSMXMPDX-UHFFFAOYSA-N 430.533 2.164 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1C 517985939 ZWISTSKYXJOCJG-SFHVURJKSA-N 440.565 2.442 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1-c1ccccc1C 517987005 YRLDRKQBJWBRQW-UHFFFAOYSA-N 438.578 2.256 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1Cc1ccccc1 518704430 LIRZQIVTTBKTOL-UHFFFAOYSA-N 435.574 2.387 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)o1 531598471 VNUGDZYYAGMRNY-UHFFFAOYSA-N 425.554 2.204 30 10 IEEE COC(=O)[C@]1(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCSC1 534012691 GRCKZRBZCPISTJ-FQEVSTJZSA-N 430.486 2.188 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCO2)cc1 549896794 HEFBKRMJOSBNRR-QZTJIDSGSA-N 446.577 2.182 30 10 IEEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 562195472 CXSXIWGDIQFXGX-UUKMXZOPSA-N 438.532 2.256 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1C 564379935 VFIBDOROSGGAHJ-RTBURBONSA-N 431.562 2.447 30 10 IEEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)Cc3cccc(C#N)c3)CC2)c(OC)c1 604037142 QTCCVUUZKULCBT-UHFFFAOYSA-N 443.525 2.300 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc3cnccc23)c1=O 684533728 CBPJXSFKRKTZOE-SFHVURJKSA-N 433.533 2.367 30 10 IEEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 728028282 CLNPBAZJFFCLNO-YFHOEESVSA-N 430.464 2.495 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(C#N)nc3)cc2F)C[C@@H](C)O1 734601680 JKEZGURXLAEGSK-HUUCEWRRSA-N 426.448 2.179 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(F)(F)F)cc3)n(C)c2=O)cn1 735069171 MOLMEAMDRQTADW-UHFFFAOYSA-N 446.454 2.458 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCO2)C1=O 741449681 OZOKOOCFYASSGC-IEBWSBKVSA-N 443.573 2.127 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 754438898 RDIUFWXUVQQGJG-MBSDFSHPSA-N 426.517 2.422 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C 800900238 QNNPOQFJWKQCGT-MRXNPFEDSA-N 425.555 2.277 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 807803082 WTIVRMXIKUJISQ-XEZPLFJOSA-N 447.479 2.069 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(C)(F)F)C1=O 814709651 DYPQROTZLOWWPV-OAHLLOKOSA-N 442.488 2.070 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2C1=O 916962542 DBLFQZFPOBXAKK-KRWDZBQOSA-N 431.404 2.201 30 10 IEEE COc1cccc(C(C)=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1 1083902030 OZSCWJWPUUGOFH-UHFFFAOYSA-N 443.508 2.384 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(c2cccc(F)c2F)CC1 1141068938 HUOZVCDWYGKGQY-OAHLLOKOSA-N 448.495 2.242 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1F 1205084000 HBAPSJRTARPRPV-UHFFFAOYSA-N 435.456 2.099 30 10 IEEE COC(=O)C1CC2(C1)CN(C(=O)NCc1ccc(C#N)cn1)C[C@@H]2C(=O)OC(C)(C)C 1229559670 CEDIRXGSOWXEMU-WIVVBHTDSA-N 428.489 2.006 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1251429931 FLGFHRZKDADRJM-QRQLOZEOSA-N 426.521 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1286303838 DVRQDDFENJVOLF-NRVIRDBHSA-N 435.569 2.294 30 10 IEEE C#CCCCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1286336288 WRRGGGYJYWXWCK-HSZRJFAPSA-N 429.565 2.229 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1286442602 GFTGDMHNMNHXDW-UHFFFAOYSA-N 438.442 2.291 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1286478312 COMXGUHBQZCQLT-UHFFFAOYSA-N 438.576 2.061 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccccc2)CC1 1286490340 QFFJLBNFZPNSHF-SFHVURJKSA-N 447.543 2.112 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1286605312 VLXCPDFADYBOQB-HNNXBMFYSA-N 435.326 2.368 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1286628240 CTQJUKJMYOZDQG-HNNXBMFYSA-N 438.960 2.424 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C)=C(Br)C1 1286788657 AYPKKKHVYTZNGT-UHFFFAOYSA-N 431.338 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)CC1CCOCC1 1286815470 VVQSDKPPXXVMNR-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCOC2(CCC2)C1 1286822137 ZKZKXYDNYPNQQV-UHFFFAOYSA-N 434.537 2.368 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1[N+](=O)[O-] 1287729969 PTCZQKBOQMNFRO-UHFFFAOYSA-N 429.454 2.306 30 10 IEEE Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1290721697 YQZUMDVUVHRURS-WOJBJXKFSA-N 428.562 2.299 30 10 IEEE CCc1nnc(N2CC[C@H](COc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1292969177 QZJWPSMDHMRUCX-SIUCFOQUSA-N 436.516 2.272 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1293214259 GSLYVNKLMOENNE-NVXWUHKLSA-N 429.521 2.068 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 1293767760 ZJJFMPVBFLTORN-LEWJYISDSA-N 429.561 2.353 30 10 IEEE CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1295410606 LZWYMRODMYKYGC-IBGZPJMESA-N 425.537 2.040 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1=O 1296120196 MQOSEXKPFPIHLU-HXUWFJFHSA-N 436.516 2.132 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1297662449 IKAWMTVOUUYORZ-OAHLLOKOSA-N 428.518 2.036 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C[C@H]1O 1299412444 MZEDAOSRGJOYTP-QXAKKESOSA-N 441.557 2.320 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300295447 IASVAFXFEOFYMK-JENIJYKNSA-N 428.562 2.002 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1300381508 GDJFLROWVNEQFQ-UHFFFAOYSA-N 448.571 2.127 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)OC 1301002594 GKWGXXYIRGAGDG-INIZCTEOSA-N 439.438 2.372 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1301312881 PVMQOPNUPRTXJV-IYBDPMFKSA-N 441.536 2.213 30 10 IEEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1301481106 HUKVXBSMWFMERY-SFHVURJKSA-N 425.537 2.235 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2COCCO2)C1 1301566374 POKFMWYWYZAUNN-MSOLQXFVSA-N 430.505 2.062 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c[nH]c2ccc(F)cc12 1303411410 NQPMVTYZWOUTOW-INIZCTEOSA-N 425.468 2.008 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C)CCOCC1 1314393346 GMYKAWDHYCMAEL-QGZVFWFLSA-N 440.552 2.008 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1314548677 NLRZGGGWCHEFHE-HDICACEKSA-N 428.562 2.238 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1315087243 CSCNYZXFTDETNW-JOCHJYFZSA-N 425.489 2.012 30 10 IEEE COC[C@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1315809914 CCBVATRTLUQEAP-BEFAXECRSA-N 438.866 2.288 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)Nc3cn[nH]c3)c3ccccc3)CC2=O)cc1 1319646126 LJKSDNQCCVYXOK-UWJYYQICSA-N 428.452 2.130 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1352569800 YDTYLXAWVOJIEI-KRWDZBQOSA-N 433.555 2.135 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CCC(S(C)(=O)=O)CC2)c1 1354286269 PTHVWWKNYBBKPI-DYTRJAOYSA-N 441.575 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)[C@@H](C)CC 1358988984 KTEGTYQSDDHICG-FDDCHVKYSA-N 432.532 2.181 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1358999720 ATBLUXGFVVZMPK-INIZCTEOSA-N 443.573 2.386 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1359083205 DPTUAFWFJONWDC-LLVKDONJSA-N 432.273 2.184 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359152600 BXHVADQOCUHPIP-QGZVFWFLSA-N 439.969 2.046 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359219336 NVAYFYIXQZUPIA-QGZVFWFLSA-N 441.532 2.438 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cnn(C)n1 1359256455 GCQXIXBGQKFJSJ-FQEVSTJZSA-N 445.531 2.055 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC(N)=O)c2)C1 1359320128 MGRMDFLDFOKLSA-PMACEKPBSA-N 441.532 2.213 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359345953 VZIJRJCPZOVYQY-QGZVFWFLSA-N 434.610 2.061 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1359472657 OFYICHJGQWHSJK-HIFRSBDPSA-N 449.357 2.264 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1360315505 CYMYGPIVEDPUST-CALCHBBNSA-N 446.577 2.149 30 10 IEEE C#CC[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1469448473 PARKQHZFFYPZSE-RTBURBONSA-N 449.573 2.474 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1507692116 SVZNQAMDRKKQOQ-NRFANRHFSA-N 439.560 2.485 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)[C@H](C)CC)CC1 1507732974 VZOGGNOSDRUARV-HXUWFJFHSA-N 435.576 2.214 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507828664 LZUAUXQBKKISAF-UHFFFAOYSA-N 433.516 2.350 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CC1 1507885005 PLPNIABYRXLKJF-LLVKDONJSA-N 425.299 2.324 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)N2CCOCC2)CC1 1507886925 JCJARUWXPFKGLF-UHFFFAOYSA-N 425.533 2.087 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507951071 MRULFKNRWILWGZ-NRFANRHFSA-N 443.577 2.415 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1508006561 HWADEQFHJDGABC-WBVHZDCISA-N 449.602 2.308 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1508019900 MSRQEAXUHDYFBT-WBTXTPOCSA-N 435.594 2.370 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(OC)ccc2OC)C1 1508129857 FQOOZXXNUKSPFP-IBGZPJMESA-N 441.532 2.247 30 10 IEEE CC[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1513096442 QSSGZIHHWRWKCL-NSAZKJPHSA-N 443.573 2.085 30 10 IEEE CCc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)no1 1513733770 GJPVXSUXVCEVDE-RHSMWYFYSA-N 441.467 2.474 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1514500988 BSTDUFRRSNXWBG-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC)c2ccccc2c1=O 1515949121 OQXQPFZBNAEPJC-OAQYLSRUSA-N 425.468 2.153 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)C1 1516391517 HZSJIVDSXXYDHA-BQIYRTECSA-N 449.458 2.205 30 10 IEEE Cn1cnnc1[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCO 1517404868 PCRVKJFAPLQRDA-LJQANCHMSA-N 436.520 2.361 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1517472763 CGUZGASNAJJTRB-OAQYLSRUSA-N 438.923 2.329 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCS(C)(=O)=O)C1CC1 1539108796 DGRDISLFGHTQBB-UHFFFAOYSA-N 430.530 2.143 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539216415 RMAQGNFFYFLETA-NVXWUHKLSA-N 435.500 2.402 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCSC2)n1 1539424588 UAPKEXYSCRABCG-QFIPXVFZSA-N 446.621 2.217 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 1539510781 OQWHYZHSMRTILF-SFHVURJKSA-N 430.379 2.430 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1539627683 KXJLIQQRZMZTOG-VQIMIIECSA-N 431.562 2.335 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1539633277 XWVBLFXZIQIGPE-MANSERQUSA-N 438.594 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539635200 GHOFLWOGZUWCEW-FYINFDKHSA-N 430.578 2.317 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)CC1 1539890931 WBZJJAMTLVPDQB-RTBURBONSA-N 438.594 2.168 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1540070800 AGTNSOMBIBDONN-IBGZPJMESA-N 433.578 2.093 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1540867597 ATXPHFMMZUTGSN-INIZCTEOSA-N 437.479 2.224 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1541107189 GOVFUWCMBFRUFP-HNNXBMFYSA-N 444.561 2.003 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1541234258 BCOYBKCDPQDHST-PMERELPUSA-N 427.578 2.296 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(F)n4)CC3)CC2=O)cc1Cl 1543956710 NWVJPWACMRPDRQ-HNNXBMFYSA-N 427.867 2.447 30 10 IEEE COc1cc([C@H](C#N)NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)cc(OC)c1OC 1544487230 UTCUIXPFEGTKOA-GJZGRUSLSA-N 446.481 2.018 30 10 IEEE CCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1548264959 GXOCVTZMSRAHST-GOSISDBHSA-N 426.521 2.175 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)CC1 1560178760 DXYBIYOCBHRXTF-MZLICYQSSA-N 447.624 2.448 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)C1 1561913145 MAEBVLPHMHPJMQ-SECBINFHSA-N 448.726 2.325 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)CC1 1561939737 AILIWFORGPAHPP-UHFFFAOYSA-N 429.336 2.002 30 10 IEEE CCOc1ccc(NC(=O)CN2CCN(C(=O)NCc3ccc(C#N)s3)CC2)cc1 1564953623 MOOPCPPOLKTEPC-UHFFFAOYSA-N 427.530 2.484 30 10 IEEE CN(C)CCN(C[C@H]1CCCO1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1565650842 FTONFKHDOWOCMW-SGIJDJSVSA-N 434.581 2.342 30 10 IEEE C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 1569674123 VFVYTNZFENXXCY-UGSOOPFHSA-N 446.326 2.478 30 10 IEEE C=CCn1c(SCC(=O)N[C@@H]2CCC(=O)N(C)C2=O)nnc1-c1ccc(Cl)cc1 1584388638 FAOHAJMVDDWFNU-CQSZACIVSA-N 433.921 2.140 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCc3nncn3CC2)CC1 1585535134 SWGWCKOYGHENBJ-FUHWJXTLSA-N 443.349 2.402 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1586904072 LVBLURZXJBBTKJ-JOCHJYFZSA-N 426.542 2.007 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1588020837 ZKBKFGOVRIZHOZ-KRWDZBQOSA-N 442.520 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1c1ccccc1 1588181037 NGSWULGHAVVACM-HOJAQTOUSA-N 425.558 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CC#N)CC1 1588262816 QDVBDLGBPQIRRM-LJQANCHMSA-N 439.516 2.188 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(NC(C)=O)nc2)CC1 1588791442 UZSNUVDCZJLFQW-UHFFFAOYSA-N 429.528 2.410 30 10 IEEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594504526 WALNDDRTSDUAEU-UHFFFAOYSA-N 446.640 2.450 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1595165256 DIAXGFFAEVANSF-UYAOXDASSA-N 438.580 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](F)C1 1595776548 BFJRWCYPKBRKDW-PBHICJAKSA-N 438.525 2.357 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595866455 LOBJYWNFWWKELF-IEBWSBKVSA-N 431.610 2.145 30 10 IEEE CC(C)CSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1607832690 XOITYRKRRRUEHC-HNNXBMFYSA-N 434.591 2.388 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2c(Cl)cccc2Cl)c1=O 1614781064 LTNBODSQTSGCRB-UHFFFAOYSA-N 438.267 2.413 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1scnc1C 1616825677 GUQYZNVSEGUNEG-UHFFFAOYSA-N 425.518 2.357 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCOCC(F)F)cc1 1620351291 ZQRIEKNJKASIHI-IBGZPJMESA-N 446.502 2.399 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccccn3)n2CCCCCCO)CC1 1620351475 BGHHPXHMZDRNPB-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE Cc1ccc(-c2csc(NC(=O)[C@H](C)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1620635718 WRINCEKZFKAEPK-DKICVRJWSA-N 430.555 2.316 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)C1 1624958121 BMYZQBQTPOJMEE-QGZVFWFLSA-N 443.276 2.428 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)c1 1631210589 SPYYVDJRJXKBQF-FQEVSTJZSA-N 446.500 2.383 30 10 IEEE CC1(C#N)CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1632674304 HINQRDADBVKQKV-QFIPXVFZSA-N 437.537 2.486 30 10 IEEE C#C[C@H](NC(=O)NCCS(=O)(=O)C1CCOCC1)c1ccc(Br)cc1 1635437185 GOSXEZGMGXJCIW-INIZCTEOSA-N 429.336 2.016 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C(=O)OC 1638401309 LFTRKHVKFUZRDL-GAJHUEQPSA-N 427.501 2.390 30 10 IEEE Cn1cc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)n1 1641458344 FHKYJUBPSHUBKO-NHCUHLMSSA-N 433.512 2.016 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1644613362 WCWOGAHQJRCEFL-UHFFFAOYSA-N 447.557 2.071 30 10 IEEE Cn1cncc1[C@@H](CO)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1647837345 UABIUUVYFNESSV-GOSISDBHSA-N 435.509 2.486 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCS(=O)(=O)C[C@@H]2c2ccccc2)c1 1654922344 HMBQUDUMQRRKSZ-HXUWFJFHSA-N 425.510 2.178 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(Cc3ccnn3C)CC2)n(-c2ccccc2)c1C 1656534944 CDQLXRWCKUAYOA-UHFFFAOYSA-N 431.544 2.456 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1C)C(=O)OC 1663618542 XJAWQTPSOZTICG-GFCCVEGCSA-N 426.716 2.433 30 10 IEEE C#CCCN(CCOC)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1667623002 UVUNGVGAYPDVLL-UHFFFAOYSA-N 436.578 2.431 30 10 IEEE C=CCOCCCNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1672969446 NEYVBFKGUZUJPP-UHFFFAOYSA-N 438.532 2.082 30 10 IEEE C#C[C@H](NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(Br)cc1 1674715768 GSTDGARHUHAUKA-INIZCTEOSA-N 446.305 2.000 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1676367395 HWBPANMGOOLIPU-CEXWTWQISA-N 430.505 2.275 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCC(=O)NC)c1 1689873230 BQPPPCUNZWNGQQ-UHFFFAOYSA-N 436.541 2.123 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1689980892 ZAKNKXYWDOEYCN-GOSISDBHSA-N 434.537 2.362 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689982302 KNFNEHSSIVOKBZ-ICSRJNTNSA-N 442.541 2.273 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689988678 ULCYEMPTMISUIH-SFHVURJKSA-N 444.557 2.238 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1nc2cc(OC)ccc2n1C 1689998746 VHBMOWMRLDRHNW-UHFFFAOYSA-N 447.543 2.213 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1690020069 YAHGHJKTAKJCRB-FQEVSTJZSA-N 425.577 2.278 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690179238 RRQJEHLNTULTOH-NPPFBWRTSA-N 427.574 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1690204408 JKYVXOYBLXUVSO-PQNGQFLHSA-N 428.625 2.438 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1690245302 GQQLKQNONHVASK-FHWLQOOXSA-N 432.569 2.352 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690661184 WKWLZSQOBKNLQV-VAMGGRTRSA-N 436.560 2.370 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1690670785 IVXSHZGODXTKOV-IAGOWNOFSA-N 431.562 2.331 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N2CCN(CC)CC2)C1 1690697399 UQACWEKMEJGAAS-SFTDATJTSA-N 439.608 2.456 30 10 IEEE CCOCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1696431588 NNSVMLPCRPFZOU-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE CCSc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1696534495 HYEWOIVMFWTFIC-DLBZAZTESA-N 447.586 2.069 30 10 IEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)(C)C 1697152681 HBPKUZLHZNKNFX-UXHICEINSA-N 440.548 2.219 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705508102 JOGQBKHESIIOKA-UHFFFAOYSA-N 448.531 2.348 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705517180 QCBCQBGAKHBCSB-OALUTQOASA-N 445.593 2.034 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705526305 IFHXUEPFLYBPQN-AWEZNQCLSA-N 432.326 2.005 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(CC)c1 1705622367 GPFIEYYWUYYZKV-UHFFFAOYSA-N 432.326 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C)CC(F)(F)F)CC1 1705634150 LJCCECRXFFQUNO-UHFFFAOYSA-N 436.482 2.203 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1705740728 VOMIKXWCVWYNIL-KRWDZBQOSA-N 429.521 2.125 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705740778 WNUFVCKFTPSAEM-KNQAVFIVSA-N 445.568 2.344 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1705819129 DRVFKCPFSCQUDQ-INIZCTEOSA-N 437.591 2.201 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705831677 ZKCPFSYWQCMXQR-FQEVSTJZSA-N 432.550 2.257 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705846386 CZFVMWACMIVBDS-UHFFFAOYSA-N 431.850 2.477 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1occc1C)C1CC1 1705848078 LYTPTEXYYRNIBQ-UHFFFAOYSA-N 426.521 2.390 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)nn(C)c2C)C1 1705917894 YZUVNRSVBHNFLM-CVDCTZTESA-N 444.580 2.499 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H]1C 1705937890 HWBXFQCTYYBPHJ-LSDHHAIUSA-N 437.591 2.105 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1706068277 HLXDONLLTQJUAJ-IRXDYDNUSA-N 446.577 2.218 30 10 IEEE CC(C)(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1706146706 ADCKUILMQLGORH-QGZVFWFLSA-N 438.598 2.177 30 10 IEEE C[C@](O)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1Cl 1706901691 HOAAXQLRKHLKMO-SFTDATJTSA-N 446.914 2.404 30 10 IEEE Cn1ccc(Nc2nnc(CCCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1711262643 BVSVUNOXLPRHAX-QURGRASLSA-N 446.515 2.457 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCO[C@H]1C 1712458919 BODSOQIRKWMDTE-MBSDFSHPSA-N 438.532 2.187 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCNS(=O)(=O)CC 1722393344 AKDRGHXZXFABHJ-UHFFFAOYSA-N 433.965 2.391 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC(=O)NCC(F)F 1722422220 NICQJVULVRFKIA-UHFFFAOYSA-N 442.445 2.424 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N(C)C)cc2C)CC1 1722431112 MCASRDBNPVHWQU-HXUWFJFHSA-N 440.592 2.180 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCOC2CCOCC2)CC1 1722439326 XYJYQMXLJXKCLM-UHFFFAOYSA-N 441.551 2.349 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1722692482 NRJSDDDUWJTDQW-UHFFFAOYSA-N 446.939 2.115 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1723983095 JBBJIBMHDIRBPN-KLHJMIIUSA-N 431.468 2.091 30 10 IEEE CC1CCN(CCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1726631912 PHFILQLUENFCRA-OFNKIYASSA-N 446.596 2.169 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1729305034 RVFSEVZMQJOLHZ-UHFFFAOYSA-N 430.516 2.017 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1730713096 WJCDRGCKZMETRI-UHFFFAOYSA-N 436.520 2.015 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)COC)CC1 1740565743 GHSXAXGINQCAMZ-UHFFFAOYSA-N 447.543 2.434 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740613530 LDTQDRUMXSBKNM-SFHVURJKSA-N 438.532 2.212 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1ncccc1N(C)C 1740644170 VXFOEUHSMPMIOJ-UHFFFAOYSA-N 430.512 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1740647077 NNILNIKRIIJOBJ-RUZDIDTESA-N 449.555 2.143 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1740659578 WTYCSZSPGAQWRU-QFIPXVFZSA-N 444.539 2.450 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccnc1C 1740669061 LBTYYFYLUWAEHA-UHFFFAOYSA-N 438.561 2.039 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740710043 UZPLHQADFYGSHO-NHCUHLMSSA-N 448.681 2.389 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1740868759 SCBBQTVROXCSQY-GDBMZVCRSA-N 449.581 2.499 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1743892244 CDISEPXMYKWQGH-AWEZNQCLSA-N 427.509 2.051 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1747887520 QYBIMBXCCKJLHP-UHFFFAOYSA-N 428.447 2.406 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COCCOC)C1 1748077028 QHKBUSDOXBYESZ-SFHVURJKSA-N 440.548 2.078 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1748730498 MGPBSFUHMTWSHV-UHFFFAOYSA-N 437.504 2.162 30 10 IEEE C#CCN(c1nnc(C)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804363 GJYLBSGSLXWYPX-GHTZIAJQSA-N 429.590 2.124 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748810640 YYJRUMFAAAKROV-HXUWFJFHSA-N 441.601 2.365 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2F)C1 1748888364 UPKFEXXQGYVFCI-QUCCMNQESA-N 434.519 2.358 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)cc1 1748934841 GOQZZUPIQDONMG-UHFFFAOYSA-N 433.560 2.484 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(F)(F)F)CC1 1748987311 SUPDCFBQVONQGM-UHFFFAOYSA-N 438.454 2.350 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749032653 ORZRYWKJIGAJKV-UHFFFAOYSA-N 444.634 2.048 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749129294 BZTVBSAREIKQKR-NZQKXSOJSA-N 446.640 2.448 30 10 IEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](COC)C1 1749416136 ZJOCWLQGOOVLLK-GOSISDBHSA-N 449.577 2.013 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1749456488 GNAAFLHWVTYRKF-NRFANRHFSA-N 433.597 2.313 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749663969 CMARPLOVOIZFDP-UHFFFAOYSA-N 435.507 2.104 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H](C)C1 1749665931 DBCJVLNKFWEMNM-HOTGVXAUSA-N 445.593 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCSC[C@@H]1C 1749737179 YUEFUAKOPBGKTR-ZDUSSCGKSA-N 427.621 2.176 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)n1 1751834294 CAZIBRKAKZNYBQ-WZONZLPQSA-N 435.532 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1760111202 KVAKPFSDEBECHJ-INIZCTEOSA-N 447.543 2.099 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1760131570 VOHQVQWSGHTCSU-GCJKJVERSA-N 445.589 2.444 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1760160034 WRQXTENNLHCBNV-CVDCTZTESA-N 429.565 2.086 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N(C)C)nc1 1760160505 FUDFZIARTXGNIA-UHFFFAOYSA-N 437.935 2.440 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1760178909 FTOBFRVXJLTRMA-IBGZPJMESA-N 445.589 2.031 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2cccnc2)CC1 1760264884 YJMTXWTUYRJYBE-UHFFFAOYSA-N 432.528 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC)CC1 1760323188 BGSQEGVNVVMJKE-FPOVZHCZSA-N 441.580 2.083 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760325142 OIXCFVGNNCLQHE-WPYKKVEZSA-N 440.592 2.402 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760350009 NIZPMRUGKXNPOY-JXFKEZNVSA-N 443.621 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760519790 PRSSYYPZGJOQAK-UHFFFAOYSA-N 431.422 2.483 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(NC(C)=O)CC1 1760533006 LLZBKJVANQFEFP-UHFFFAOYSA-N 433.516 2.453 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccncc2)n1CC(F)(F)F 1763043301 BZYVLNIGXCGVSB-CQSZACIVSA-N 443.437 2.203 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCCO1 1763179491 WCMSYWLDIRWZNT-PXNSSMCTSA-N 427.505 2.149 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1766311367 FPYURQTUFIBKFU-SIKLNZKXSA-N 428.512 2.158 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1766311385 GKOZCGOXYVYBAQ-QFIPXVFZSA-N 426.496 2.427 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC1 1768996989 AMLARKGHAPRVLP-MRXNPFEDSA-N 448.369 2.261 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1769531061 YTBCGXBZLOSZIA-IAGOWNOFSA-N 427.461 2.268 30 10 IEEE COCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1771272410 XNTLHLUVRAXNFS-INIZCTEOSA-N 427.278 2.141 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccccc2F)C1 1771528464 AYTYYRDNEXROMH-QFIPXVFZSA-N 437.454 2.275 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)ON1C(=O)c2ccccc2C1=O 1772790129 JRPBTGBPIQQSBH-UHFFFAOYSA-N 441.465 2.040 30 10 IEEE CCOC(=O)[C@H]1CCCN(CCNC(=O)c2nc(C)c(Br)c(C)c2C#N)C1 1851674509 DDWYJCWYEDZLBG-AWEZNQCLSA-N 437.338 2.338 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(SC)cc2)C1)[C@@H]1CCN(C)C1=O 1857076209 BNIDXQXDVSDGKL-AZUAARDMSA-N 429.586 2.435 30 10 IEEE C[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccccc1C#N 1866893648 CRUBCCZBQHHXLZ-QGZVFWFLSA-N 445.523 2.374 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060633360 MUYZNKZKINXWBL-YWVIFJGQSA-N 432.330 2.353 30 10 IEEE N#C[C@H]1CCCN(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)C1 2174783608 DVNFJBRPNYFCMO-GOSISDBHSA-N 438.525 2.197 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243417374 OCKIVQDBMWXKEM-HNNXBMFYSA-N 430.376 2.493 30 10 IEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2247905751 VGOSSUZXEIDIPU-UHFFFAOYSA-N 431.367 2.381 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N(CC(N)=O)Cc3ccccc3)c(Cl)c2)OC1(C)C 2247919157 PQJBBKSIFHTYHC-UHFFFAOYSA-N 429.713 2.162 30 10 IEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N(CCO)Cc2ccccc2)OC1(C)C 2247951783 KTOUYFHCDAJWQP-UHFFFAOYSA-N 435.326 2.308 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2248482142 TTWONAGHMAQFTC-NEPJUHHUSA-N 438.252 2.107 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255348657 HXRTZTLSIGLVDA-INIZCTEOSA-N 433.358 2.311 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C=CCN1C(=O)OC(C)(C)C 2255694230 MHGLILREFLVGKQ-MRXNPFEDSA-N 431.342 2.230 30 10 IEEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255938113 CFWBTPCHTFIIEO-UHFFFAOYSA-N 432.326 2.477 30 10 IEEE CO[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1NC(=O)OC(C)(C)C 2256896769 ZCHJTANWALYELP-CVEARBPZSA-N 437.321 2.248 30 10 IEEE Cn1nc(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267130530 PAUMWBUEYSDYNB-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2267149875 AACHVJKSOSJLQP-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE Cn1cc(C(=O)NCC2CCN(Cc3ccccc3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267187246 VHLSWBYIKHNCKF-UHFFFAOYSA-N 438.381 2.361 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1 2267275516 OYBQLFYDYBWLCF-UHFFFAOYSA-N 445.369 2.454 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267493897 AMVYOGLIEVIUKG-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267513306 MYCTWRUTVHCUFX-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2267528137 PVGPBNZIZSJTPP-HZPDHXFCSA-N 446.357 2.036 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)n[nH]1 2268663571 MFYJAPIESNIDIV-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)nc2)OC1(C)C 2269063817 OHLWRTXRJSISFV-SFHVURJKSA-N 440.305 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@H](O)C#Cc2ccc(Br)cc2)C1 2278804409 XVQKGPSRHZXVPX-HZPDHXFCSA-N 444.347 2.196 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)cc1 2328369218 ISKRAGCFAAXSMB-UHFFFAOYSA-N 441.469 2.024 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2337196999 RDONOAPDMLPUBO-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 17187697 WZTCXFKUKPYBHW-INIZCTEOSA-N 447.513 2.079 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(C(=O)OC)cc3)n2)s1 20905845 AQQRPGAQRNJODV-QGMBQPNBSA-N 446.518 2.182 30 10 IEEE C=C1[C@H]2CC[C@@H]3[C@]45CO[C@@](O)([C@H](OC(C)=O)[C@H]4C(C)(C)C=CC5=O)[C@@]3(C2)[C@H]1OC(C)=O 33747935 VIZWMBLJPXPZSQ-NDIZYZEDSA-N 430.497 2.322 30 10 IEEE N/C(=N/O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 96708474 FCHKXQBHGNRSQR-VIFPVBQESA-N 427.118 2.111 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)cc1 102690120 WPEHRIYYUULCFZ-AGGMBTAESA-N 437.496 2.234 30 10 IEEE COc1nn(C)c2nc(C)c(CCC(=O)N3CCN(c4ncccc4C#N)CC3)c(C)c12 106010079 JSCQTCDTRSXVDS-UHFFFAOYSA-N 433.516 2.142 30 10 IEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccncc2)cc1 170359107 LEUDYTVUFZMQHZ-KRWDZBQOSA-N 425.422 2.105 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 429004845 FOKZMVIWDSYDSH-NRFANRHFSA-N 436.585 2.402 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N(C)Cc3noc(C)n3)c2)c1 442422228 TYXLOBVPUYZGDL-UHFFFAOYSA-N 432.436 2.162 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 444221334 JLBRSRKBKHUPIJ-HXUWFJFHSA-N 447.557 2.078 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 460951244 JJROKRFWAZBJMT-OAQYLSRUSA-N 439.476 2.244 30 10 IEEE CCOc1ccc(C(=O)NCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 461657441 CBHPVGFFSNZCOS-IBGZPJMESA-N 438.509 2.227 30 10 IEEE CCn1nc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)c2ccccc21 471982773 YYMZDEFYGCIYQC-UHFFFAOYSA-N 444.516 2.211 30 10 IEEE Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C(=O)CC#N)CC3)ccc2C)cc1 503626844 RQDGPOIMTSUXQA-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE Cc1nn(C)c(C)c1CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 505157319 UXCGCYGCCCCVBT-UHFFFAOYSA-N 438.511 2.290 30 10 IEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN2CCOC[C@H]2C1 508730299 OHMHBPJAEAYMEX-MRXNPFEDSA-N 434.338 2.326 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1-c1ccc(F)cc1 521498362 OCOUELJVIMYVGH-UHFFFAOYSA-N 431.851 2.080 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C(=O)OCC)c2ccc(Br)cc2F)CC1 532741309 HJLRFYSHDQODMW-SFHVURJKSA-N 442.329 2.112 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(F)ccc3C)c2=O)cn1 539769838 OPDDEXLVZIYZMW-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543888055 UNBZSJVWFUYWPL-OAHLLOKOSA-N 436.925 2.333 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ncc(Br)s2)CC1 543988621 FKTBNCLYNIEYLM-UHFFFAOYSA-N 427.349 2.284 30 10 IEEE N#CC1(CS(=O)(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCCC1 545365845 MQPFRHXPOPSLHO-UHFFFAOYSA-N 443.566 2.372 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCC3(CN4CCOCC4)CCCCC3)CC2)n1 546216452 DWTKEBQMBCXDJO-UHFFFAOYSA-N 426.565 2.068 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 549254298 YNIWQAHKJAUASL-SFHVURJKSA-N 433.459 2.183 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)ccc1Cl 560616309 WEJNAGZGIWIGAK-UHFFFAOYSA-N 442.932 2.244 30 10 IEEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCCO2)c1=O 568577694 KCWYMIGBZSJYOI-MRXNPFEDSA-N 444.528 2.355 30 10 IEEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ccc1C#N 576395086 DKTODHVSZIKTLC-UHFFFAOYSA-N 442.541 2.400 30 10 IEEE O=C1Nc2ccccc2[C@]12CCN(CC#CCN1CC[C@]3(C1)C(=O)Nc1ccccc13)C2 671243435 GXRVVSBATFTORL-CLJLJLNGSA-N 426.520 2.181 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)c(Cl)c1 727417266 GMRWJUNLPJAISR-UHFFFAOYSA-N 443.912 2.183 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1Cl 730404014 KIQAUVNUUIMQME-QGZVFWFLSA-N 433.873 2.448 30 10 IEEE Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707715 DHHIDDAFPLGULH-FQEVSTJZSA-N 437.544 2.195 30 10 IEEE C[C@H](CC(=O)NCc1cn2cc(Cl)ccc2n1)/N=C1/NS(=O)(=O)c2ccccc21 742511575 YFUAAIGCQFLKNU-GFCCVEGCSA-N 431.905 2.121 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccn(C)c2)C1=O 748096253 TWVQCVJELFROQW-GOSISDBHSA-N 431.537 2.364 30 10 IEEE C#CCN(CC#C)C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 752332200 MILWGHAWGYVGGP-IBGZPJMESA-N 436.537 2.208 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)[C@H](C#N)C1 754377859 BAMMMZDBMKISNH-OAHLLOKOSA-N 432.546 2.328 30 10 IEEE Cc1ccc(-c2noc(COC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)n2)cc1 767636072 IFXSYZBCSNRBRA-CQSZACIVSA-N 426.454 2.327 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781135004 YMVSUBDKCMQXPT-UHFFFAOYSA-N 445.548 2.166 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 783539773 SHWHVGWUACEFGL-ZMYBRWDISA-N 440.512 2.455 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2CCCN(CC#N)C2)[C@H]2CCCO[C@H]2C1(C)C 783900547 SQMJOXFWUKEKRO-OVCNXMPXSA-N 434.581 2.437 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CCCN1C(=O)C(C)C 917988841 WPBRVLSBDKGASN-GOSISDBHSA-N 432.521 2.142 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)c1 1084589372 CSYVSKZYGUUWHZ-UHFFFAOYSA-N 441.521 2.290 30 10 IEEE COc1cccc(Cn2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2=O)n1 1134971578 POBXAEFWQKWGRZ-QGZVFWFLSA-N 443.463 2.163 30 10 IEEE CCc1nnc(S)n1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1136841175 WPBZAZOSMVELLR-DMAKZNTKSA-N 434.566 2.032 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3CC#N)CC2)c([N+](=O)[O-])c1 1141630359 OKYUZWKMZDSYEQ-UHFFFAOYSA-N 428.470 2.027 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)c(OC)c1 1142094390 BJCBKAUHOLTZFQ-YHYXMXQVSA-N 426.444 2.410 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(Cc4ccc(C(N)=O)cc4)CC3)n[nH]2)c1C 1144169973 FAENBTPLBRBBIQ-UHFFFAOYSA-N 447.543 2.133 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N(C)[C@@H]1CCC[C@@H]1C#N 1151299193 BIGDFJDBURQZBI-OXQOHEQNSA-N 429.546 2.220 30 10 IEEE CO[C@]1(C(F)(F)F)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1197325880 LHDANHKCHBLKAA-PKOBYXMFSA-N 428.430 2.188 30 10 IEEE C#CCN(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1218042028 RLUMGFWQZXKMMD-MRXNPFEDSA-N 439.965 2.467 30 10 IEEE N#CCCC[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccccc1 1251458406 CDYBLLPYHJGTEC-LJQANCHMSA-N 431.518 2.267 30 10 IEEE Cn1ccnc1[C@@H](O)C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1252506723 FPFUOJKMWPQQBB-QFIPXVFZSA-N 436.560 2.411 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccccc2N2CCCC2=O)c1 1264809795 VUICUIXSSNTEHP-UHFFFAOYSA-N 445.519 2.229 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCc4c3ccc([N+](=O)[O-])c4F)C2=O)cc1 1273478316 YRAGHIJPRBAMGX-OAHLLOKOSA-N 437.387 2.400 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1286346377 ZHUYSDXXZIURAT-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1286381217 OTRTWXGMCQQTHO-FGTMMUONSA-N 433.553 2.471 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286459399 ORGJGULCLHLWNB-RTBURBONSA-N 428.581 2.257 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccc(OC)cc2)CCC1 1286464867 GNQALGBOHUPQGR-HXUWFJFHSA-N 437.544 2.446 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 1286483315 GNPXFVJYQXWNLE-UHFFFAOYSA-N 438.576 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@@H]1C 1286780517 XFZWGWOCXUBOBB-LBPRGKRZSA-N 438.301 2.374 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286790148 CJEZCLGNMJUSDB-AOMKIAJQSA-N 445.951 2.209 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286802035 MNGIQZTZANCZSJ-AZUAARDMSA-N 441.557 2.423 30 10 IEEE C=CCSCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1286837235 UZXUPSMXVJGRGO-OAQYLSRUSA-N 437.610 2.154 30 10 IEEE CC(C)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1287142261 CWZTXRTUOHGJSM-QGZVFWFLSA-N 438.598 2.033 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@](C)(O)c1ccccc1 1290864955 FPHZPDZCYPYUIR-SBUREZEXSA-N 432.532 2.261 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)Cn3nc(C)c4cccnc43)c(C#N)c2N)cc1 1294271466 HNIDLGOWVHHBAP-UHFFFAOYSA-N 428.500 2.437 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1297868733 JSHOBMGGHFWGCF-KRWDZBQOSA-N 430.306 2.018 30 10 IEEE CN(c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1298131380 VISOBOMDLAXBEJ-RJCBAWPRSA-N 442.907 2.350 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)C1 1299032034 DDVYUQNZEBQFFT-CVDCTZTESA-N 438.532 2.116 30 10 IEEE COc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCS(C)(=O)=O)c1 1300364313 ZVIPIQCNYBPQFU-UHFFFAOYSA-N 447.561 2.145 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300394634 ULTLSRFCIQNJHB-QZTJIDSGSA-N 442.516 2.126 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CSCCS1 1300458653 JVJWURPFSIPHJQ-QGZVFWFLSA-N 429.619 2.370 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)c(OC)c1 1300674592 AFVPWPOFRVYIFL-UHFFFAOYSA-N 431.924 2.197 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1300873373 FUKNMZHBEZIWLC-QUCCMNQESA-N 440.548 2.396 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCCOC)CC1 1301119908 AQFSAYXTIGLDDB-GOSISDBHSA-N 426.521 2.100 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@](C)(OC)C1 1301493221 WREOQMBUKGBJEZ-JOCHJYFZSA-N 429.521 2.270 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OC)c(F)c1 1302312310 ZOPMBAZFJBNLKH-ZWOKBUDYSA-N 445.495 2.121 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1303000895 KWGZXRVOLNFQTM-IAGOWNOFSA-N 442.486 2.175 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1)OC 1305845337 CCLLRGCMZIKFLW-GOSISDBHSA-N 426.521 2.116 30 10 IEEE O=C([C@@H](c1cccc(F)c1)N1CCOCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892312 CSLOEYRQMBWXFC-HXUWFJFHSA-N 441.459 2.103 30 10 IEEE Cn1cnc2c(SCC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)ncnc21 1307392464 IKZVXLZBDQSGEQ-MRXNPFEDSA-N 425.493 2.004 30 10 IEEE CCCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1313456541 WCEQHCWOMDXOLV-PMACEKPBSA-N 438.532 2.089 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccccc1OC 1316205413 FXZKUMHAYJMZEO-YLJYHZDGSA-N 440.548 2.236 30 10 IEEE C[S@](=O)C1(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)CCC1 1316366517 NLLRDZPIOFDHAC-HKBQPEDESA-N 441.605 2.470 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCCO2)C1 1321324557 JQSZNODFSNHENM-VQTJNVASSA-N 439.564 2.412 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1358936937 CGEWKWKOQMGVJX-KRWDZBQOSA-N 430.553 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1358990313 JVXZWHDTPJGKCK-UHFFFAOYSA-N 426.542 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC 1358994402 MJLDCDJSJSDAFP-LJQANCHMSA-N 445.564 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOCC)CC1 1359097786 UAXCXSIZEXNOHH-FPOVZHCZSA-N 428.581 2.423 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359197234 IOPSJXBQDXQUCX-KRWDZBQOSA-N 438.536 2.322 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCO1 1360370322 JAOASLSSZHRHDV-REWPJTCUSA-N 441.532 2.252 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)s1 1444799131 CJBWMXBQZZZEPK-CQSZACIVSA-N 443.591 2.223 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)c1cc(I)ccc1-n1cnnn1 1461033217 RRLRLJZKGIJARZ-UHFFFAOYSA-N 442.220 2.341 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1F 1464288193 ARNUTKVKFRVTET-UHFFFAOYSA-N 435.452 2.063 30 10 IEEE C#CCN(CC(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C(=O)OC(C)(C)C 1465714798 QXPBDIYJAYTGMO-IBGZPJMESA-N 445.516 2.138 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cc(I)cc(C(=O)OC)c2)CC1 1466050001 GAOBNOYAMSOQBU-UHFFFAOYSA-N 428.226 2.070 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 1469757556 FCPFMBXRXZAXOS-JOCHJYFZSA-N 437.519 2.296 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n(C2CCCCC2)c1C 1473707426 MBTSXWQOYPCBCM-GOTSBHOMSA-N 425.533 2.405 30 10 IEEE C#CC1CCN(S(=O)(=O)c2ccc(I)c(C(=O)OC)c2)CC1 1475427809 ZDOHWUQQXDPWSP-UHFFFAOYSA-N 433.267 2.112 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccccc1 1478895473 DSEVHMCMOZWMHP-MRXNPFEDSA-N 437.443 2.494 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cs1 1492687235 DLMRWBXCXMAFGS-GOSISDBHSA-N 442.570 2.448 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1505022000 ZVDXFOONGRHCTO-FZYZMVIOSA-N 443.573 2.360 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507581421 VJFFTLPKRQXJPX-UHFFFAOYSA-N 436.969 2.315 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507630784 HMIJAYAAOFBNMY-GOSISDBHSA-N 427.505 2.282 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(OC)c1 1507653899 SOBKUYFJZBUIKW-SFHVURJKSA-N 440.569 2.239 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507735632 CYPWKZPXJYJWHZ-FQEVSTJZSA-N 435.450 2.002 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1507863101 BTTZJAFXBZSGDS-HNNXBMFYSA-N 434.953 2.442 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1508074992 ODFWNKXILYQBBX-PBHICJAKSA-N 430.896 2.102 30 10 IEEE Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc1 1510954136 ZAAVLCFCKVMYKC-GOSISDBHSA-N 433.472 2.126 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3Cc3c(C)nn(C)c3C)CC2)c1C#N 1511663446 GMWGNBFMNVYLMD-UHFFFAOYSA-N 436.568 2.040 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOCC2)C1 1521056354 LIGAYUGRTHBOGK-HXUWFJFHSA-N 429.456 2.018 30 10 IEEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCOCC1 1524681100 BPWPLIDAZHRNSP-UHFFFAOYSA-N 427.910 2.010 30 10 IEEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCC[C@@H](OC)C1 1530528227 QTVVRIZJCXDTTQ-ZHALLVOQSA-N 436.530 2.241 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)[C@@H](C)COC 1531886361 AZSAFCAQGAPDFT-DJJJIMSYSA-N 438.322 2.266 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2=O)cc1 1536575697 QVNTVZADRFWXEO-INIZCTEOSA-N 429.440 2.089 30 10 IEEE COC(=O)[C@H](CC1CCOCC1)NC(=O)COc1cccc(Br)c1C#N 1536980355 YVXQSYMCEPGGIK-HNNXBMFYSA-N 425.279 2.174 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCC[C@H]1C 1539153705 IYJYMUXPEZXLJQ-VFNWGFHPSA-N 430.578 2.167 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1539645347 MUUXRNMUNLAHAW-BURNTYAHSA-N 447.580 2.042 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)CC1 1539848203 NEKKXXKOPTXVJT-KRWDZBQOSA-N 429.546 2.365 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1540857699 NCNQAYINDPQEHC-MRXNPFEDSA-N 435.525 2.008 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 1540867962 NOLVDEMYPHGXNL-UHFFFAOYSA-N 431.544 2.355 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3c[nH]c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1541004871 AOYREBLOZLZFNC-QGZVFWFLSA-N 434.548 2.186 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCS(=O)(=O)C2)cs1 1542905032 COWDMHAAFBLTRI-MRXNPFEDSA-N 434.591 2.199 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CC1 1544078859 NDDTVQFTCCBEHD-UHFFFAOYSA-N 427.526 2.277 30 10 IEEE CCCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1547108752 ZYEGCFJQPMWSTJ-XUTLUUPISA-N 438.488 2.437 30 10 IEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)COc1ccccc1 1548369279 ULMGXOOXFMXYRR-LJQANCHMSA-N 446.429 2.419 30 10 IEEE COCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1555215453 GKYQRCLJOSJZJH-HXUWFJFHSA-N 435.525 2.463 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1555240501 GYJOJDDNLMOUNB-INIZCTEOSA-N 426.521 2.103 30 10 IEEE COCCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)cc1 1555683719 MPSXYFANZWGGCH-HXUWFJFHSA-N 434.500 2.451 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)c4coc(C#N)c4)CC[C@@H]32)CC1 1557020507 NWAPWLSCQMKQKQ-MSOLQXFVSA-N 443.504 2.159 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC3(CC2)CO[C@H](CNC(=O)OC(C)(C)C)C3)C1 1565345974 DFUCNZGQYKBNMM-OALUTQOASA-N 434.581 2.189 30 10 IEEE C[C@]1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCCS1(=O)=O 1565661514 FNOGLUVDWXGVMA-FUHWJXTLSA-N 440.363 2.125 30 10 IEEE CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1584032459 HNMUHKSXKMRVSN-INIZCTEOSA-N 426.558 2.305 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)N2CCc3ccccc3C2)s1 1584143591 BDZLCVXWBVWXMU-INIZCTEOSA-N 433.599 2.318 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1 1586082914 VPSMWDCBCKVEAE-UHFFFAOYSA-N 440.456 2.421 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCn2cc(C)cn2)c1 1587692435 DOXDDJDZDFGNRO-FQEVSTJZSA-N 447.543 2.433 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1=O 1587767070 GJMGARVTYLVPAF-UHFFFAOYSA-N 440.475 2.163 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OCCOC)C1 1587822703 ATWSSHDIMZIRPT-SFHVURJKSA-N 432.546 2.004 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587847008 AMKCJPRBTKKIMO-GCJKJVERSA-N 435.576 2.051 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1587872223 BEKNUUMSBLQKHS-FQEVSTJZSA-N 449.621 2.055 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588055250 UJMZQAWVULLARR-QUCCMNQESA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588059850 WITONTXLRZDRIT-FQEVSTJZSA-N 446.548 2.061 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1594544028 GZPMQQJNQKGUJV-GUDVDZBRSA-N 443.573 2.212 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1594813050 NIZJHKNVMDMSIP-DYESRHJHSA-N 440.610 2.414 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1598065794 OIVVOSSMKNHZDI-UHFFFAOYSA-N 443.426 2.490 30 10 IEEE C#CCN(CC(=O)Nc1nc2n(c1C(=O)OC(C)(C)C)CCOC2)C(=O)OC(C)(C)C 1603474987 LDHDEJOPKUTXCU-UHFFFAOYSA-N 434.493 2.177 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCN(c2ccccc2C#N)CC1 1611469052 JTFYZWNOJJINPH-MBSDFSHPSA-N 428.533 2.357 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1614868962 OJAOROTZCBONNJ-ZRCGQRJVSA-N 446.596 2.312 30 10 IEEE CCOc1ccc([C@@]2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2(Cl)Cl)cc1 1616336192 MHRLRRJJTJJRFO-BMGDILEWSA-N 443.352 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1618244274 REDAKQBLHAEONN-UHFFFAOYSA-N 445.495 2.128 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)C1 1618634058 AINHZMPZLWKLCE-DRKIFQHWSA-N 442.589 2.326 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1619857596 ZPEMLEVVCIPNBN-UHFFFAOYSA-N 449.515 2.222 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCOCC(F)F)cc1 1620349086 FPQCUXBDMBWJHU-DLBZAZTESA-N 430.459 2.346 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)n1 1622097262 UJDVBIUVWOGGOW-UHFFFAOYSA-N 427.910 2.024 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CCC1 1622810418 JSLVPHCUCLFJCU-UHFFFAOYSA-N 432.528 2.435 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN2C[C@@H](F)C[C@H]2C1 1624763543 BHXVZQKOFDADHG-KBPBESRZSA-N 426.286 2.353 30 10 IEEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1628895311 SGJNSOYXOSOTLC-GEALJGNFSA-N 426.492 2.098 30 10 IEEE CC(C)(C)n1nnc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 1633105296 ZIAVMHRIRUELRC-HNNXBMFYSA-N 432.326 2.213 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)OC)c1 1634316890 QJWZMCZDHADXHF-OAQYLSRUSA-N 448.928 2.156 30 10 IEEE O=C(NCCc1ccc(OCC(F)(F)F)nc1)NC[C@H](O)C(F)(F)C(F)(F)F 1634532216 LPQVYHTZSSJXDM-VIFPVBQESA-N 425.276 2.423 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCn1cc(Br)ccc1=O 1637791815 BJDLRKCMGSBXJA-UHFFFAOYSA-N 431.290 2.408 30 10 IEEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1639073327 NYPXCRBAKCIQML-HXUWFJFHSA-N 438.513 2.009 30 10 IEEE C=CCn1cc(C(=O)N2CCc3nc[nH]c3C23CCN(C(=O)OC(C)(C)C)CC3)nn1 1640560385 XHACSPOTIFGGKV-UHFFFAOYSA-N 427.509 2.112 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(N4CCCS4(=O)=O)c3)C2)nc1 1645084915 GHJLEFZRHVOEPQ-GOSISDBHSA-N 425.514 2.210 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 1648462279 QQVGGAUHYAQXLN-IERDGZPVSA-N 433.461 2.406 30 10 IEEE COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C(=O)OC 1660612807 XQTFORQLMRTTFB-DAXOMENPSA-N 433.530 2.110 30 10 IEEE COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 1661854943 GZFVLKQXRZUYCV-UHFFFAOYSA-N 435.452 2.442 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2ncc(C(=O)OC)s2)cc1 1665968793 GXALNZBHMCHRQB-UHFFFAOYSA-N 438.531 2.100 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCCNC3=O)cc2)c1 1670638476 AYTPDUNBARPWHZ-UHFFFAOYSA-N 428.514 2.001 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCn3ncc(I)c3C1)C2 1675449879 HBPHYCJMKXLCHO-CQSZACIVSA-N 433.253 2.052 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1679943985 FPPNSVDYEDWYBZ-PXNSSMCTSA-N 443.548 2.206 30 10 IEEE N#C[C@@]12CN(C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1681031274 DJAUMNKKHMNCLH-QRFRQXIXSA-N 437.949 2.387 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1681434471 OLVBBAZRJVTNGH-IAGOWNOFSA-N 444.488 2.136 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)nn1 1683763193 RYFJQQRFGOJVML-SFHVURJKSA-N 438.454 2.356 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1686634257 OQSKQHOIORRLRZ-FQEVSTJZSA-N 436.597 2.389 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(CC)CC 1689965953 HPVRWHZHDQTLHL-WOJBJXKFSA-N 429.590 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cccc(C)n1 1690006288 MOLSJQVREVGTKE-UHFFFAOYSA-N 433.537 2.368 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2ccccc2)CC1 1690128940 MLRJLTWIJYUGMX-QHCPKHFHSA-N 436.585 2.297 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690240354 FDYMRLGDMOLIKH-AOIWGVFYSA-N 449.577 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(CCOC)no1 1690244936 AYQYUNDVDWTVNL-HLIPFELVSA-N 446.552 2.362 30 10 IEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)COC)CC1 1690304670 KRLUCKCBHOZZJE-UHFFFAOYSA-N 427.549 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CC)C1 1690719512 NXDGNXORHNPVLZ-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1691549920 BLTPUCNZTJLYKI-CVDCTZTESA-N 437.548 2.264 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1692979147 FUOHFMMBWYUGDB-RBUKOAKNSA-N 438.532 2.117 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1695034638 SMBKXDLIMAURRD-HSZRJFAPSA-N 432.532 2.484 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1696597583 HVZOCVZPUSYSNX-XMSQKQJNSA-N 431.560 2.467 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697870262 ZSNOBLNRZNYPED-SLNYWTKHSA-N 436.516 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705474683 FDGGIIDDRPXDAJ-SFTDATJTSA-N 449.603 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CC1(C(N)=O)CCOCC1 1705501632 LHWKAIRMGBVCAI-KRWDZBQOSA-N 425.533 2.160 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705527332 ZRSJUGNZHPDDPO-NRFANRHFSA-N 436.516 2.478 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1705571208 XRWACOZDSHMAOC-RTWAWAEBSA-N 447.649 2.369 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705656881 LYYPMXNXECBZIM-KDURUIRLSA-N 430.530 2.280 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1705805377 FXXULCVDADBOJJ-SFHVURJKSA-N 431.562 2.272 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705818828 WJYDCCCGFWMDKZ-KRWDZBQOSA-N 440.552 2.019 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1705846847 VMKOWBSWXCVVED-UHFFFAOYSA-N 431.541 2.056 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1705899749 FUFLMVFPQCKUKA-UHFFFAOYSA-N 437.548 2.090 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1706058078 XOLJPHATNLEEFF-FQEVSTJZSA-N 431.500 2.396 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1706069898 HTYIOKIJVKPEPF-HNNXBMFYSA-N 442.524 2.436 30 10 IEEE Cc1nnc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)s1 1707849828 XOIOPZICYXZQMU-INIZCTEOSA-N 425.518 2.357 30 10 IEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCC1 1712205198 AGXKKOXZFRZAGN-UHFFFAOYSA-N 438.532 2.247 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)N1CCOCC1 1712524443 CKEDXODGLHQRPT-GOSISDBHSA-N 434.585 2.243 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)c(F)c1 1722305513 IHDFBSNCGZGGLW-KPFFTGBYSA-N 443.523 2.338 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1722317069 QDEPYIIJQARXMU-MUGJNUQGSA-N 449.621 2.429 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1722354419 DROHLLPYZJKJPN-SFHVURJKSA-N 426.521 2.408 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(Cn2cccn2)c1 1722373381 IFBOAJOHFRJFGO-RUZDIDTESA-N 444.539 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2snnc2C)CC1 1722443224 PVQAKLGZIHMUEK-UHFFFAOYSA-N 425.518 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1722444876 HEURPPFJENASAJ-FPOVZHCZSA-N 436.560 2.367 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722522849 HFFFOMNWMYCAHI-SFHVURJKSA-N 429.546 2.248 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1722527845 SHEGDIKFOMYLKT-QGZVFWFLSA-N 425.541 2.147 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722537533 CCLFCDYQLOJESM-KZNAEPCWSA-N 432.569 2.003 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722540245 AUWAUTCEWVNAOI-UHFFFAOYSA-N 434.972 2.496 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1)C1CC1 1722650904 NWXKEOOQQOCOLQ-QFBILLFUSA-N 441.623 2.052 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1722659835 DSTALKXGUWMFAW-XMSQKQJNSA-N 429.496 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2(C)C)C1 1722719510 VJMKLMQILSTJNN-GVDBMIGSSA-N 440.635 2.493 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OC)c2OC)C1 1722722119 YIGDNDMCRUBBMY-GOSISDBHSA-N 441.532 2.247 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722740566 QNHBUIBKYPZXMC-QGZVFWFLSA-N 443.639 2.299 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 1722862736 DWVSYYAJUCVVNA-UGSOOPFHSA-N 437.342 2.447 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1727084896 GPAHCAUWFANOLI-HXOBKFHXSA-N 439.564 2.161 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1728800921 BJEVYQIVBVECJB-GOTSBHOMSA-N 438.532 2.207 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1728802145 GJFMGSNZSPRAGH-GOTSBHOMSA-N 438.532 2.207 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC(C)CC1 1730324809 CGJNGMQIWWFTNW-LJQANCHMSA-N 440.548 2.326 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)c2cc[nH]n2)C1 1731179919 HAKYYFFHRXZARK-LJQANCHMSA-N 428.859 2.194 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740590921 JVWXZCRZSNXCPN-SFHVURJKSA-N 440.935 2.408 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1740609764 SETDNUPUSNJWFC-UHFFFAOYSA-N 446.515 2.459 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCCCn1cc(Br)cn1 1740638265 LYPWBCWCSQQNSZ-INIZCTEOSA-N 431.338 2.294 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC[C@H]2C)CC1 1740691893 BYEQIJYUDVGROM-CVEARBPZSA-N 447.381 2.464 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1)C1CC1 1740907367 WQEYUEBCEHEMHN-INIZCTEOSA-N 441.561 2.277 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1740940624 NFCDELVKKGMBFA-CRAIPNDOSA-N 441.532 2.248 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1740973954 HWEXNOQRCPNPPU-CEXWTWQISA-N 444.532 2.284 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1740977287 FTPRJNNOHJRMRN-MOPGFXCFSA-N 431.562 2.150 30 10 IEEE CCCNC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1745800548 HRIGLNNOZFKNLQ-CALCHBBNSA-N 445.568 2.315 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOCc2ccccc2)CC1 1749020517 WDKVCUPENGSTFW-OAQYLSRUSA-N 437.544 2.312 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1749285816 YJZJLKFYKQPXCP-UHFFFAOYSA-N 438.532 2.196 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1749599609 HTYGBYSJYXPOEB-GHTZIAJQSA-N 443.548 2.150 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)n1 1749633463 HAXMKUAOTFDILV-UHFFFAOYSA-N 437.504 2.330 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1750034276 OPIHRRWYVNDSQZ-FQEVSTJZSA-N 431.500 2.396 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCS1 1752387534 IBVNXPMAWNLUJH-MSOLQXFVSA-N 442.589 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760123041 XMBBLMCFPMABDM-RBUKOAKNSA-N 425.533 2.118 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1760131569 VOHQVQWSGHTCSU-AVRDEDQJSA-N 445.589 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)CCC)CC1 1760271691 HATKOLOVYYVZDR-JOCHJYFZSA-N 429.590 2.447 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](c3nc(C)no3)C2)nnc1[C@]1(OCC)CCOC1 1760286682 RMDOBOFBUIETBX-UWJYYQICSA-N 446.577 2.372 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)C1 1760351319 GHWIEZAYAWWZMF-HKUYNNGSSA-N 433.578 2.475 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(CCOC2)C1 1760526154 GBVVAOOKEKHUGZ-QHCPKHFHSA-N 425.533 2.393 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1760700692 IEOJRQKZYLHNIQ-HZPDHXFCSA-N 441.561 2.051 30 10 IEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1)OC 1764230978 KTZUFKUHCVLMRJ-IBGZPJMESA-N 448.531 2.367 30 10 IEEE CCC(O)(CC)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764306330 SLQXVULDPQIXNH-UHFFFAOYSA-N 433.516 2.350 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CC#N 1766722542 CJVQVTDHKWKZCS-MRXNPFEDSA-N 441.561 2.479 30 10 IEEE CN(CCc1nccs1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767292541 DKFNKWIBZHLWLO-HTXNQAPBSA-N 427.534 2.207 30 10 IEEE CO[C@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1769601008 VAJMABABUXBKJQ-CZUORRHYSA-N 449.441 2.484 30 10 IEEE Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851876121 WLXLSYMPUMLZBE-HNNXBMFYSA-N 436.438 2.403 30 10 IEEE O=C1C[C@@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1CCc1ccccc1 1851940591 KHOHMPUKOBWCEY-OAHLLOKOSA-N 445.463 2.338 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CCC2 1852045076 YJYGSTBFGPSMRN-SFHVURJKSA-N 431.493 2.216 30 10 IEEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)Cc2cccnc2Cl)C1=O 1857039193 ZUGLFCFRUQGMMS-CYBMUJFWSA-N 432.889 2.147 30 10 IEEE C[C@@H](C(=O)O)N(CCC#N)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1866338426 XSJGBQNISQABHY-RDJZCZTQSA-N 447.488 2.229 30 10 IEEE COc1ccccc1N1CCN(C(=O)Cc2nonc2OCc2ccc(C#N)cc2)CC1 1872636539 VIHQMZXIEOXYJR-UHFFFAOYSA-N 433.468 2.420 30 10 IEEE COc1cc(/C=N/n2c(C)nnc2SCC(=O)Nc2nccs2)cc(OC)c1O 1874531769 ADSAXGPAEKQSSJ-UFWORHAWSA-N 434.503 2.379 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCC#CBr 1883734526 KTRIHNAYKPFKRG-HNNXBMFYSA-N 439.306 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(Oc1ccc(C#N)cc1Br)C(=O)O 1889033396 NRRDQKOADKDCLR-SUMWQHHRSA-N 427.251 2.446 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)n[nH]2)c1C 1891543732 HIDGFPACQFRWFI-GOSISDBHSA-N 440.548 2.177 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 1985009454 QCPGRHZYFSSUIA-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE CC1(C)OB(c2ccoc2CNCCn2cc(I)cn2)OC1(C)C 2039819491 SETKARUABBMSES-UHFFFAOYSA-N 443.094 2.170 30 10 IEEE N#CC1(CS(=O)(=O)N[C@@H]2COC3(CCN(C(=O)OCc4ccccc4)CC3)C2)CC1 2174787012 PLLPQWOSDLVGBU-SFHVURJKSA-N 433.530 2.170 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2224072086 GLGOXPNEPVFNFJ-DOTOQJQBSA-N 433.358 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@@H](N)C#Cc2ccccc2Br)C1 2227493735 QWIMJVQDULDDOP-HOTGVXAUSA-N 443.363 2.162 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237401626 ZTUDHTUUPKZWLD-OAHLLOKOSA-N 439.306 2.431 30 10 IEEE CON(CCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247835777 QIYMGCXOZAZJKO-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2255633508 CDMPDCZLJWBDLD-KRWDZBQOSA-N 438.362 2.292 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255657290 MYNUGSJWKJHPOI-LJQANCHMSA-N 425.338 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256015442 VBRURLHAYMXHEF-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2267004811 IOLQTZIEOQZALI-IRXDYDNUSA-N 449.332 2.458 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267128434 QUSVHMYTPNYOOQ-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267193327 CZSLQFIUTHMCOH-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2267498484 UYHOPAGNKHHCLV-GJZGRUSLSA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267808997 GEOUAJUAKYSLTF-WFASDCNBSA-N 448.325 2.040 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267820329 JBNWMVYCAHHDQU-UHFFFAOYSA-N 448.417 2.461 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268632235 HVMVCWWWXKWRTN-QAPCUYQASA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268632962 PKALHAVWJGPSLD-GOSISDBHSA-N 446.353 2.104 30 10 IEEE Cc1nc(NC(=O)[C@H](ONC(=O)OC(C)(C)C)C2CC2)ncc1B1OC(C)(C)C(C)(C)O1 2268643603 KZFASELHNNCVJO-OAHLLOKOSA-N 448.329 2.258 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC(F)(F)C3=O)cc2Cl)OC1(C)C 2282825060 GUSGBGFILMSTOC-UHFFFAOYSA-N 427.687 2.257 30 10 IEEE Cc1ccc([C@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 2296940657 UOKOTSHUAYUGHY-IBGZPJMESA-N 426.425 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](O)C1 2322292377 BISYSEDLAPELIN-JKSUJKDBSA-N 437.321 2.302 30 10 IEEE C=C(C)Cc1c(C)nn(CCC(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1C 2326963753 KGSJDXHWMZYYRL-RTWAWAEBSA-N 437.588 2.406 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2327380446 QJFRDYXAMKYNFE-UHFFFAOYSA-N 432.286 2.001 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)cc1 2328565884 XZBVAQBWPLAOIN-UHFFFAOYSA-N 439.497 2.425 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2cn(C)c3ccccc23)CC1=O 2329056135 WKTDBCRRAWCEMI-OAHLLOKOSA-N 426.546 2.461 30 10 IEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)N2CCC[C@H](C)C2)n1 14160357 JYHTZIRPRVVELC-INIZCTEOSA-N 433.626 2.190 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)OC3CCCCC3)n2N)cc1 20913906 MWSDMGIYHSMYAH-SRZZPIQSSA-N 432.506 2.193 30 10 IEEE C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295061 YWFFRYJTDUOHDS-CQSZACIVSA-N 434.468 2.170 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cc(I)cc(C(=O)O)c2)cc1C#N 324553122 QEJKUDFHLPMSFW-UHFFFAOYSA-N 443.222 2.365 30 10 IEEE N#CCCN(CCC#N)C(=O)CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 379451279 YMBNCQKKQYFAHX-QGZVFWFLSA-N 432.502 2.145 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CCOc1ccc(S(N)(=O)=O)cc1 433037580 BXKJQSVTFDYHMW-ZDUSSCGKSA-N 448.570 2.094 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCSC[C@H]1CCO 442079749 HCXWLPJHSNPFKR-MRXNPFEDSA-N 426.498 2.319 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSCC 460803955 OHTLBHRYTLDWNH-HOTGVXAUSA-N 431.628 2.155 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4cc(C#N)c5ccccc5n4)CC3)C2=O)n(C)n1 472487115 NUSYUDUSYKEHBN-NRFANRHFSA-N 429.528 2.466 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 481060828 POKMUZXSKWDWBC-UHFFFAOYSA-N 439.534 2.145 30 10 IEEE CCc1nc(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)n[nH]1 484725584 HDJTYHNSAGPFJO-FQEVSTJZSA-N 439.539 2.095 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@@H](COc4ccccc4)C3)C2=O)cc1 487175207 RUJYVYCHPRHTLT-FGZHOGPDSA-N 434.496 2.149 30 10 IEEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c(C)c1 489435234 WGGZHGFLVNZMQG-SFHVURJKSA-N 442.541 2.179 30 10 IEEE COC(=O)CN(Cc1cccc(Br)c1)S(=O)(=O)c1cnc(C)c(C#N)c1 489796582 KJBRKUAZFVBMSB-UHFFFAOYSA-N 438.303 2.388 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 502469554 SUOCRDLVFHWXBF-UHFFFAOYSA-N 431.473 2.326 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 508506502 SHEIFOBAJDHROR-NQIIRXRSSA-N 445.928 2.215 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H](S(=O)(=O)N(C)C)C3)c2C#N)C1 511120583 CAVPLKSBWKXZPN-LSDHHAIUSA-N 438.619 2.429 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OCC)c2)c1=O 523477549 AHKFQMFEEBDFPJ-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCc1ccccn1 531369925 KGYPWPJFTHPKPI-UHFFFAOYSA-N 446.557 2.353 30 10 IEEE C=CCNC(=O)CN1CCN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 539588112 XXEGZEROBJZGGD-IBGZPJMESA-N 438.494 2.116 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@@H](C)C1 551757091 YVRFUJFZTYHYPW-HNNXBMFYSA-N 436.516 2.059 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 564376741 HJYWFZQURRUTHW-KRWDZBQOSA-N 437.953 2.013 30 10 IEEE CC(C)c1nc([C@@H]2CCCCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 569634641 WHYSHUFUSVRXTC-KRWDZBQOSA-N 431.518 2.487 30 10 IEEE C#CCN(CCCCN1CCCC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586153796 PIVHMXBFVMHWQA-UHFFFAOYSA-N 433.574 2.322 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC1 604470872 DPPWFTWCLLRLHT-BNDYYXHWSA-N 445.564 2.260 30 10 IEEE C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669815669 HIAWMIJCBPCLHA-YLJYHZDGSA-N 428.606 2.495 30 10 IEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 670200461 JNNOFVGYELEYOC-KRWDZBQOSA-N 442.568 2.480 30 10 IEEE C=CCOCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 679516289 YZAZJGWUWBENHQ-LBPRGKRZSA-N 437.381 2.373 30 10 IEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c1C 728557764 RGQGHKLNLAHNOV-LJQANCHMSA-N 439.581 2.399 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)Nc3cc(F)cc(F)c3)C2=O)cc1 733831750 UPBUJTQANAKOIQ-KRWDZBQOSA-N 442.378 2.223 30 10 IEEE COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 742531139 WWZFTUOZWDGDSA-CQSZACIVSA-N 436.320 2.431 30 10 IEEE C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nnc(-c2ccc(F)cc2)o1 746014583 JHJUFCFZDZYBON-LLVKDONJSA-N 430.417 2.219 30 10 IEEE Cn1c(=O)nc(O)c2c(C(=O)NC3CCN(c4ccccc4C#N)CC3)cc(C3CC3)nc21 750045642 MLJKWGNFWVVVMP-UHFFFAOYSA-N 444.495 2.182 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C)cc2C)C1 760301739 MCGYBHYRTPEAPT-DOTOQJQBSA-N 431.562 2.175 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760409684 RXHMPAVSJKQVPD-LJQANCHMSA-N 430.530 2.135 30 10 IEEE CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)[C@H](C)C1 760753277 JISIMKPAQCERJL-MLVIZHJXSA-N 449.577 2.364 30 10 IEEE CCn1c(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cc(F)ccc21 767628067 OZEWPGIGDFYFSB-CYBMUJFWSA-N 430.461 2.477 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCCc2c(C)nn(C)c2C)C1=O 774574692 IIZSPPWGKZMINA-KRWDZBQOSA-N 444.561 2.141 30 10 IEEE C=CCOCCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 795320356 PGNGQPGHLQAEAY-UHFFFAOYSA-N 448.335 2.220 30 10 IEEE CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 795362208 UQNJMEPPEWYNQU-UHFFFAOYSA-N 446.457 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)[C@H](c2cccnc2)C1 800441584 ORMLLNXGQPZQNL-IBGZPJMESA-N 426.521 2.331 30 10 IEEE COCCCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 800706281 AHDIEPCANIKQRR-QBWMWAQZSA-N 430.549 2.386 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 810473296 ALAMGIJNFMOOOF-GOSISDBHSA-N 431.901 2.309 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccc(F)cc1 812748377 SBHSUIOGVGCYOB-IRXDYDNUSA-N 448.472 2.239 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)[C@@H]1CCS(=O)(=O)C1 813797980 XRRYQAZOJSRYNF-DLBZAZTESA-N 439.578 2.141 30 10 IEEE Cn1c(=O)sc2cc(C=NNc3ccccc3S(=O)(=O)N3CCOCC3)ccc21 814861854 YLSICFLOZDPYHR-UHFFFAOYSA-N 432.527 2.067 30 10 IEEE CCn1c(SCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnc1-c1ccco1 916179572 AVZUPKXGVZYPKU-UHFFFAOYSA-N 431.499 2.168 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2nnc(C(F)F)o2)cc1 1125136383 FYJYHAXJAZSXMU-QRVIBDJDSA-N 427.433 2.391 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1151183021 PUYUALLHUHUKIK-JOCHJYFZSA-N 425.489 2.147 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3sc(C(=O)OCC)c(C)c3c2=O)c1 1164592181 SOFPTFNVCVPYJJ-UHFFFAOYSA-N 438.465 2.273 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cccc(OC)c3)CC2)s1 1169552057 YNFOAXAQSSOBHG-UHFFFAOYSA-N 449.598 2.108 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCC[C@@H]1C#N 1175250115 NJEUWZAFLAYYLJ-IRLDBZIGSA-N 440.569 2.297 30 10 IEEE CC(=O)N1Cc2ccc(S(=O)(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cc2C1 1213799694 PCFNJCGLKZQJBF-LJQANCHMSA-N 425.514 2.081 30 10 IEEE C#CCN(C(=O)NCCNC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1256282009 VTDDIORAEXVPKK-OAQYLSRUSA-N 425.554 2.198 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC2)CCN1C1CC1 1261880098 PSTXIVATUUAADZ-AEFFLSMTSA-N 426.496 2.209 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1286294674 FFUOHNFIFZKTOO-FHWLQOOXSA-N 446.596 2.386 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(OCCOC)CCOCC1 1286299765 IGBIMUDVOGQKLY-MRXNPFEDSA-N 433.578 2.304 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1286349421 WURGSXWVVIHIBS-UHFFFAOYSA-N 447.543 2.051 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286358520 WUGCWTZNKMWZAN-QFIPXVFZSA-N 444.557 2.294 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1286381223 OTRTWXGMCQQTHO-SQNIBIBYSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286394751 PFTUTTRBRWJFOF-RCCFBDPRSA-N 448.614 2.349 30 10 IEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1286449384 WDLBHWYQBNXBOR-GOSISDBHSA-N 434.544 2.305 30 10 IEEE C=C(C)COCCn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286614106 LCNCMNHDOAQTGL-QFIPXVFZSA-N 436.553 2.301 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC=C(Br)C1 1286790744 WHPNYVCDTIMJLC-UHFFFAOYSA-N 437.367 2.425 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1286966083 PRCGYOKEVMXDQA-VBKZILBWSA-N 431.566 2.039 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1286967289 CSAHTZWFDPDJFD-WWMYMODYSA-N 431.562 2.074 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCc4ncc(Br)n4C3)CC2=O)cc1 1289710680 APPGCMCSDFBHNU-KBPBESRZSA-N 428.290 2.001 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](c1ccc(F)cc1)N(C)C 1290864902 DJLIETZVDZQMFN-HRAATJIYSA-N 449.538 2.405 30 10 IEEE CN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1cccc(C#N)c1 1292031710 MKNCIRRDDNQEHU-NJAFHUGGSA-N 433.530 2.191 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1297468282 USRRUYGDJQJBAC-UYAOXDASSA-N 438.532 2.260 30 10 IEEE Cn1cc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)cn1 1298825438 AHETWLFGFWSFEL-HNNXBMFYSA-N 445.325 2.131 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1300469087 YAELKYWYNVWRLO-UHFFFAOYSA-N 447.561 2.426 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCCC1(C)C 1300570165 XZNUJOBYHJIJMN-XMMPIXPASA-N 444.543 2.325 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)cc2F)CC1 1300685204 JISRJAFIWGUTEA-JOCHJYFZSA-N 431.487 2.012 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1 1301424234 IFPXCZVJJVDFDE-GJZGRUSLSA-N 425.580 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C)s1 1301593332 LYFSYHJZZJZZIR-UHFFFAOYSA-N 449.606 2.142 30 10 IEEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1303013642 HWJLZMRTWOBOIT-UHFFFAOYSA-N 441.580 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)COc1ccc(C#N)cc1)OC2=O 1303804805 CECXCMJNFKXNJA-GOSISDBHSA-N 443.500 2.386 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)C1 1312696365 DPUOWPQWFURGII-JOCHJYFZSA-N 428.577 2.344 30 10 IEEE COCC1(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOCC1 1315849608 OIARHRDEGJBZJC-UHFFFAOYSA-N 440.548 2.455 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1C 1316296915 DIHIXEDZPIWNJO-NSHGMRRFSA-N 427.505 2.118 30 10 IEEE CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1c1ccc(F)cc1 1319486042 QDINQEAIJLZGJP-PMACEKPBSA-N 430.505 2.193 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358909146 VQRJJZRGIIBVHG-LJQANCHMSA-N 426.546 2.138 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358962463 QHSQVTOQYPBMHZ-HXUWFJFHSA-N 427.574 2.309 30 10 IEEE C#CCN(c1nnc(CC)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963209 DMCNJMNNYVCVCE-FPOVZHCZSA-N 443.617 2.378 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1358964957 KUXWPFHEFSHHFU-GBESFXJTSA-N 448.614 2.372 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358966534 RGNWWQIMIHMYHS-AZUAARDMSA-N 433.622 2.122 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359098303 ZRDCJVBOOJFHOV-FHWLQOOXSA-N 438.594 2.167 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1359135881 QWIZEEMKCVOJCG-HXUWFJFHSA-N 427.549 2.013 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359146337 VRBNRWLINVSGJK-UHFFFAOYSA-N 436.303 2.267 30 10 IEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359226995 QPIAVCYUXRCYBC-HXUWFJFHSA-N 440.548 2.470 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(C)C 1359264841 RHBWTFTWJAXWOY-NRFANRHFSA-N 433.560 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CO)CC1 1359334351 CCVHBVLKUUQPJZ-UHFFFAOYSA-N 443.573 2.160 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)NCc2ccc(C(=O)NO)cc2)C1 1448505791 AFUBKZSEONNUBQ-HNNXBMFYSA-N 429.477 2.183 30 10 IEEE COC1(C(F)(F)F)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1451701891 ZHKBCWLKNRVNSR-HNNXBMFYSA-N 438.406 2.333 30 10 IEEE Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456597620 WWCBGOYJFWKSAH-OCAPTIKFSA-N 435.271 2.368 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2nnc3c(=O)n(C)ccn23)cc1 1462806095 WVSKQDUVFVQPLZ-UHFFFAOYSA-N 428.452 2.373 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)nn1 1463927676 XQEKFAKWGCYAFB-UHFFFAOYSA-N 431.703 2.006 30 10 IEEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3cc(C)c([N+](=O)[O-])cc3C#N)CC2)cc1 1472701292 LQFIWRQDYQFQON-UHFFFAOYSA-N 443.529 2.184 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 1475016764 KASDCNRNWMEWAA-UHFFFAOYSA-N 438.596 2.425 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCC(OC)CC1 1499140428 DAVZWIAUXYGTCC-UHFFFAOYSA-N 426.569 2.286 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1)S(C)(=O)=O 1502180194 GAOZRVHESRRELI-INIZCTEOSA-N 448.618 2.430 30 10 IEEE COC(OC)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1504010754 XZSSNXZCVAEVQR-KKSFZXQISA-N 428.468 2.011 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCSCCCO)CCN1C1CC1 1505323006 CUFXZUOJGDSEBT-LJQANCHMSA-N 444.580 2.300 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1507560078 DBRFEGFWARBSFA-UHFFFAOYSA-N 426.521 2.114 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507591011 ISVXSYNZNLFURR-INIZCTEOSA-N 432.496 2.187 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1507618314 KBHWZKYAPVWULU-QFIPXVFZSA-N 445.564 2.274 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1nc2cc(OC)ccc2n1C 1507711165 PHVWTZIODONDDS-KRWDZBQOSA-N 438.532 2.202 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc(S(C)(=O)=O)cc1 1507764973 PVZYBJAYRFWQSE-HTAPYJJXSA-N 446.573 2.446 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1508018154 OWANMZOXLBENFV-UHFFFAOYSA-N 447.421 2.451 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1508085669 HBVCESRXPFDPRR-HXUWFJFHSA-N 432.528 2.399 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC(=O)NC(C)(C)C 1508094025 YNNRMBYFEOOONH-UHFFFAOYSA-N 442.564 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1508140867 QUFQXLZUJVEPEZ-MRXNPFEDSA-N 434.566 2.120 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1508145210 KQLCFBVPYPPMOX-QGZVFWFLSA-N 428.599 2.098 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnnn2C)c1 1510710437 CHJHFRXHIAFLGL-SFHVURJKSA-N 436.520 2.195 30 10 IEEE CCn1cnnc1Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1515799509 VDOQCNSNDSRKGU-LEWJYISDSA-N 428.541 2.108 30 10 IEEE N#Cc1nc(NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)ccc1Br 1529899901 WCPGDLPWZVCACU-UHFFFAOYSA-N 437.257 2.496 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnn(C(C)C)c1I 1531180691 DFMQYFRBNHRPTD-UHFFFAOYSA-N 431.274 2.486 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)nn1 1531825966 SYUZHAGJTITSOA-UHFFFAOYSA-N 440.504 2.110 30 10 IEEE C=CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1533315403 YFVOBTRCZWJVFL-FQEVSTJZSA-N 447.601 2.341 30 10 IEEE C#CCCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539139327 DBISTTWJDQETGK-ZACQAIPSSA-N 430.553 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539324088 PMYLRSBKYOJZFM-PMACEKPBSA-N 448.575 2.136 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1539428056 MKMAJCLRIWZRHY-UHFFFAOYSA-N 436.604 2.211 30 10 IEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1539606260 BETSMGQHGVXERX-UHFFFAOYSA-N 434.338 2.307 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1540133380 HZWBPRGOZKDTMF-DEOSSOPVSA-N 435.576 2.399 30 10 IEEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)CC1(C#N)CCOCC1 1540207091 CMHWPYYLXIEVTQ-UHFFFAOYSA-N 432.525 2.000 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1540853560 AJNBGFRQYWSXSJ-LSDHHAIUSA-N 429.550 2.335 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(C)(C)OC[C@@H]1C 1540900201 NVNPYNZQROALNP-HNNXBMFYSA-N 448.545 2.278 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(F)(F)C1 1540900362 SKPHZXWSNHWYLF-UHFFFAOYSA-N 442.488 2.409 30 10 IEEE CC(C)N(C)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1541608861 LYZPREGMCOTTND-FGTMMUONSA-N 447.584 2.118 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(C(F)(F)F)c1 1541907883 GKRIJMYCCNJVRV-NEPJUHHUSA-N 445.471 2.089 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(C(F)(F)F)c1 1541907886 GKRIJMYCCNJVRV-VXGBXAGGSA-N 445.471 2.089 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)c1 1542276407 VKHAVVUCQJBWID-UHFFFAOYSA-N 446.577 2.153 30 10 IEEE CCc1nnc(S)n1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1543982833 XMZVCZRFJHRDCL-UHFFFAOYSA-N 435.351 2.016 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1545708586 LYTNOCCNYSBTGE-KPFFTGBYSA-N 432.569 2.437 30 10 IEEE CCC(O)(CC)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1546042963 DJJGWFVFRWSMAH-CVDCTZTESA-N 446.596 2.046 30 10 IEEE CCc1cnc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1546345416 ILJMYIBEOZXBLR-ZPHPHTNESA-N 427.534 2.337 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CCOC)C[C@H]1C 1547710109 GSSRNCMSAQINMH-LJQANCHMSA-N 425.581 2.315 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(OC(F)F)cc1F 1557963989 NBJWREWDQTXNDK-NSHDSACASA-N 427.404 2.282 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1558694441 QRPBGACYWLVGRQ-HNNXBMFYSA-N 445.516 2.210 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CN(C)Cc3ccccc3)C(C)C)CC2)o1 1559774873 FXIVCNSIRJJTDE-JOCHJYFZSA-N 438.576 2.250 30 10 IEEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564690534 TXBAPVPMXJSXJR-VQIMIIECSA-N 426.439 2.442 30 10 IEEE C[C@@H]1COCCN1CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1565647337 SWFTZMRKKVHFLR-UZLBHIALSA-N 428.533 2.229 30 10 IEEE C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1583966798 ULBRHDPNCMZSMP-PXNSSMCTSA-N 432.565 2.312 30 10 IEEE COC(=O)[C@@H](c1cccc(OC)c1)N(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1585599462 FSSRGFDQPCVSNZ-LJQANCHMSA-N 426.473 2.452 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1587782792 CPGKAKPBCQEVGR-UHFFFAOYSA-N 432.528 2.260 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1587804359 ZPTSRGJZLDUGJX-SFHVURJKSA-N 441.511 2.369 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1587879596 XEORTSHCJRANIX-KRWDZBQOSA-N 427.578 2.154 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1587894597 XPNFFGIDQGQPHT-JOCHJYFZSA-N 433.553 2.258 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)c(OC)c1 1588062645 AJZUWOKDROKLQT-UHFFFAOYSA-N 427.476 2.389 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1588271690 NKMVUCFBTZUYDC-YADARESESA-N 437.544 2.443 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CN(CC(C)C)CCO1 1588420638 JINUGMSZWSVUTR-NRFANRHFSA-N 435.576 2.333 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC(C)(C)O)CC1 1588961730 KFVURBFTIWINLU-UHFFFAOYSA-N 439.560 2.292 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC1CC1 1594885447 GYJRAJFMQWWGND-UHFFFAOYSA-N 442.383 2.493 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1595593527 FPKBQIJDSGZJTD-RTBURBONSA-N 429.496 2.446 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)C#N)CC1 1615838392 LDMFOCSGIOPCKF-ZWKOTPCHSA-N 440.552 2.475 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)s1 1617592212 PMJDNHAAEYBXOA-OAHLLOKOSA-N 441.619 2.156 30 10 IEEE CN(C)CCOc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(C#N)CC2)c1 1617692130 HVGZKRQIERHSPT-UHFFFAOYSA-N 432.532 2.464 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(NS(=O)(=O)NC)cc3)n[nH]2)c1C 1618204711 ICNPHKFAXXVNNG-UHFFFAOYSA-N 429.506 2.204 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1620351052 UZACUQDUJOVXJS-QGZVFWFLSA-N 447.465 2.170 30 10 IEEE COC(=O)c1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1621158294 RULUYXYWYNXNJE-JXORXQGFSA-N 428.489 2.271 30 10 IEEE C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@@H]1CN(C)CCO1 1622416321 OWWBNZWTZCASKZ-YSSFQJQWSA-N 428.533 2.228 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(I)cc2O)CC1 1623669304 NWLLASLQCNVWGU-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(C#Cc2ccccn2)c1 1624872715 HCIFXMNACPQEDQ-UHFFFAOYSA-N 436.449 2.307 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)n[nH]2)c1C 1625091036 YBGHHOREIDIYJS-UHFFFAOYSA-N 448.593 2.399 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)[C@@H]2C1 1626425085 CBOUUVFCONCFMM-SUMWQHHRSA-N 437.493 2.204 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(Cc2ccccc2)CCOCC1 1627591659 AXUXYXTYWKPWGP-QGZVFWFLSA-N 427.526 2.133 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)c1cc[nH]n1 1629480362 DBBDELBYOUFPTO-UHFFFAOYSA-N 441.419 2.445 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1632428946 DSQZAPQVBYAYOC-LFYBBSHMSA-N 446.500 2.340 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)/C=C\C(=O)c3ccc(C)cc3)CC2)cc1 1633063287 WCPFNRQKNSFTKP-QXMHVHEDSA-N 435.524 2.317 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](S(C)(=O)=O)C1 1633870405 PIDCQHJZEHMSTM-FUHWJXTLSA-N 433.530 2.038 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C)c(C#N)c3)CC2)cc1 1638299474 UZQWBEQAYCGGFV-UHFFFAOYSA-N 428.514 2.091 30 10 IEEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1638945341 ICMCDRSGSIIVAY-MRXNPFEDSA-N 439.476 2.248 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1639422735 AUEPIBFBFUIFDX-QHCPKHFHSA-N 444.532 2.202 30 10 IEEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1cccc(C(F)(F)F)c1 1640636327 BTNCQQNIIZNHIA-UHFFFAOYSA-N 444.373 2.031 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1641405632 WUKBGCGGMMPORO-UHFFFAOYSA-N 448.545 2.008 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)on1 1642278698 QHSYDOMZSYVCSF-AWEZNQCLSA-N 440.481 2.205 30 10 IEEE CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1644636803 NTNQFIQXHSRNMZ-IIMJZQEZSA-N 437.518 2.398 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 1648411666 WSYXFQKQTNGKTG-ISLYRVAYSA-N 437.418 2.044 30 10 IEEE COC1(OC)CCOC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1654676918 SFWOMMHJCIDUAL-LJQANCHMSA-N 430.480 2.411 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCn2c(Br)cnc2C1 1655312933 DWWVJTFOSOQFND-UHFFFAOYSA-N 446.124 2.484 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1Br 1661770770 CNFQBHCNTMAGQZ-JTQLQIEISA-N 430.299 2.139 30 10 IEEE CC(C)CN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@H](C)C1=O 1663511223 HMTOMAIZHUOWGM-LLVKDONJSA-N 432.315 2.337 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C1CCOCC1 1665155699 DUBOXCLABBBFIJ-INIZCTEOSA-N 441.347 2.065 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)CC1 1669130478 DSWKOKSHPNRBDJ-SFHVURJKSA-N 442.541 2.444 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 1670259015 DEZCFEZVZXRDPJ-GOSISDBHSA-N 431.533 2.265 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OCC)cc2Br)C1 1671459791 ZGLJKTILNPEITP-AWEZNQCLSA-N 429.336 2.002 30 10 IEEE C#CC1(O)CCN(C(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CC1 1674081654 BIEMGKRLUZFJBU-UHFFFAOYSA-N 437.519 2.217 30 10 IEEE COc1ccc(CNC(=O)N2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)cc1C#N 1683696105 UOSKUVNNPLYQJR-JOCHJYFZSA-N 430.505 2.488 30 10 IEEE CN(C)Cc1csc(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 1685259685 GNDHBWVHRQNKNS-UHFFFAOYSA-N 438.561 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1689826045 HGLURDXFFZKFCF-QWHCGFSZSA-N 440.367 2.157 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC2)c1 1689871758 DRXZJAYWABLELQ-FQEVSTJZSA-N 430.512 2.357 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1689966338 PHYLSNSIOPJBAH-LSDHHAIUSA-N 441.479 2.080 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C(C)(C)C)no2)CC1 1690132631 UNSZLYYAGXJXSS-UHFFFAOYSA-N 436.564 2.229 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NC)CC1 1690165846 LCBUVLGQKWQENP-UHFFFAOYSA-N 427.530 2.003 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1690593227 XPZPAEFRVHJTSY-UHFFFAOYSA-N 440.529 2.350 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1690621801 AHBYVMOFYBOKNI-GOSISDBHSA-N 448.637 2.230 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCOCCc2ccccc2)cn1 1696853851 BAHLACCYXAQHMY-NRFANRHFSA-N 435.532 2.447 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705518729 PYESYENVAQUHDY-LJQANCHMSA-N 441.543 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCS(=O)(=O)CC1 1705581194 VJUZPBSLCZPWQG-UHFFFAOYSA-N 449.536 2.498 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC[C@@H]1CCOC1 1705582954 NLGAHMXHAKPPQI-SIKLNZKXSA-N 436.512 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CCOCC1 1705585944 OXWAOJXYKJAOSR-IBGZPJMESA-N 425.508 2.037 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1705593946 ZDBIXWIBOIIPBU-DENIHFKCSA-N 438.528 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1705635194 SXBUOLRGNPZUDE-DPLHUUCSSA-N 445.608 2.281 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705703239 SDVIIWLSZZZYGF-REWPJTCUSA-N 446.640 2.448 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705890184 BUXYDWBOHDIWHD-HNNXBMFYSA-N 441.598 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705934399 LEECDILVUWPVHT-UHFFFAOYSA-N 434.566 2.396 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705945829 SRQSXVOYVUHNBZ-KGLIPLIRSA-N 433.500 2.206 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1706745795 IDYYRUDNPMPFHP-AVRDEDQJSA-N 448.575 2.422 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)N(C)c1ccccc1 1706848868 HTNQGNFHMURTIK-ZACQAIPSSA-N 433.582 2.152 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCn1ccnc1C 1709137115 JXVNEMZTMVIRRC-UHFFFAOYSA-N 436.568 2.066 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)c1 1710327113 RYNUYXIXTQTDGC-VDGAXYAQSA-N 440.548 2.396 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCCCO)C1 1712875252 AVTQKMVPKKPVNP-PXNSSMCTSA-N 433.509 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCOC[C@@H]1OC 1722376530 RMMYDPXFRWMBND-PBHICJAKSA-N 432.322 2.160 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCN(C(C)=O)CC1 1722391927 YVYSUHOKTJMNDQ-DEOSSOPVSA-N 446.599 2.447 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N2CCCNC2=O)CC1 1722501811 QBKFVAISSDQXRY-YLJYHZDGSA-N 432.569 2.180 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(S(C)(=O)=O)CC1 1722531626 UXWKCHGYNHZHEX-UHFFFAOYSA-N 449.533 2.459 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1722566643 WEWUFAIGFSXVJP-PMACEKPBSA-N 430.597 2.271 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1722685296 CFFOUIPPVIBKPR-RDJZCZTQSA-N 437.591 2.070 30 10 IEEE CC(C)(C)Cc1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722959395 FEUJINCVSJYEIN-VHEBQXMUSA-N 428.537 2.152 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1724926137 QQDDNPKEOPFUSF-UHFFFAOYSA-N 436.516 2.167 30 10 IEEE CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1729223962 AWLZZBXQLRYNHA-LJQANCHMSA-N 442.589 2.426 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1730480788 MQHRQUDDKVEIML-KRWDZBQOSA-N 435.525 2.463 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)Cc2ccccc2C1 1740613076 SHVHPBCMWUEQFN-UHFFFAOYSA-N 448.596 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740647471 UPWXJDQGSWXJOP-UWXQAFAOSA-N 426.561 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1C 1740650468 BKQRYLWSMWGXFY-ICSRJNTNSA-N 430.516 2.056 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccs1 1740664450 QRIVLZOUQOKXSR-UHFFFAOYSA-N 444.586 2.354 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(COC)CCOCC1 1740668640 SQQGZQDZNRZKGF-UHFFFAOYSA-N 436.516 2.497 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)cc1 1740684410 QEVSKEPPYAVWDK-UHFFFAOYSA-N 437.500 2.343 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1740935870 ZEBKUFFGTAWUFK-PZJWPPBQSA-N 438.576 2.185 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2ncccc2c1 1740941223 FMCOUEHAIWGBFW-IBGZPJMESA-N 441.557 2.416 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740951176 RVNKWBIDRTXGEI-OAHLLOKOSA-N 445.593 2.121 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740956025 KNLKOBVFUJKDAR-SFHVURJKSA-N 447.543 2.075 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1740958635 RZJBAVFFYJLOQB-RTBURBONSA-N 438.532 2.272 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1740958807 VJTCSKMSOJGAOQ-MSOLQXFVSA-N 425.533 2.477 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C[C@H]1CCCO1 1740960765 ZYCUUJUPHOOUDK-APWZRJJASA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(F)(F)C1 1740988699 NAUWEZMGMUNHDT-UHFFFAOYSA-N 426.445 2.120 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740991112 OTKDHHHPHQLPGN-UHFFFAOYSA-N 447.536 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC1(C)C 1741219999 YJFLGEYOUOUMFP-BRWVUGGUSA-N 446.552 2.361 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1748642889 RAOKOQQKEUDWOE-GAJHUEQPSA-N 425.533 2.118 30 10 IEEE C#CCCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1748764291 KBGSYCYFPOHUTB-QHCPKHFHSA-N 439.564 2.077 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)SC 1748831272 JFZRWNORUMUQKE-INIZCTEOSA-N 431.587 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCCNC(=O)c1occc1C 1748897078 RTWRWJLRIWDHLR-UHFFFAOYSA-N 430.512 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1748988941 DAZXIOCJTXFKBV-GGAORHGYSA-N 436.604 2.448 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749047418 VTHHGSBYNMJQEO-NRFANRHFSA-N 429.521 2.079 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)N(C)C)C1 1749696043 OBVFJSLYFQOCFG-KRWDZBQOSA-N 439.969 2.271 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1749929749 NEKBIINYZZNQMW-AOMKIAJQSA-N 445.520 2.289 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1749953071 GZZAMVOARCRHNM-HVETUWLQSA-N 429.496 2.278 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1750086533 QCXSYIPAKIDWCP-IECFSIQFSA-N 448.568 2.185 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CC1 1751279082 QMUJWXYJDRAVNB-HNNXBMFYSA-N 434.953 2.407 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1760101237 LDGLLSCFQWJERD-CYBMUJFWSA-N 440.367 2.057 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1CCCO 1760105787 VBIFPNKJLHOVGA-PKOBYXMFSA-N 427.549 2.267 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760135206 MOJGNZLQQJOKSY-KRWDZBQOSA-N 447.543 2.145 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760157605 VITRSPWAAHSZPS-JOCHJYFZSA-N 443.573 2.457 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760287562 XECHVMLMRQGOSN-AXHZCLLHSA-N 442.608 2.394 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1760337007 LQCQKKFVTXETSA-MRXNPFEDSA-N 436.557 2.125 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760426218 JGIACOWZURWNLF-NRFANRHFSA-N 446.559 2.440 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1760440389 IRFKHWCLWOZUPI-GOSISDBHSA-N 445.589 2.482 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760516019 VGQNUYTVCMKRIV-UONOGXRCSA-N 439.969 2.159 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1760520060 AXRCUAHIGSTBSZ-UHFFFAOYSA-N 441.536 2.478 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CC1 1760610351 XPIXHXACEOUUBH-NRFANRHFSA-N 438.532 2.071 30 10 IEEE Cc1noc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)n1 1762678539 SWYSGGYBYOJVJN-CQSZACIVSA-N 429.431 2.200 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCCCN1CCC[C@@H]1CO 1767062479 UZLJIEKOKDCTGO-OAQYLSRUSA-N 446.559 2.480 30 10 IEEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 1767497717 GLEMNLIBFAPUAH-UHFFFAOYSA-N 444.421 2.341 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)(C)C 1769680115 FBGVKOQLLYRUJI-SFHVURJKSA-N 447.561 2.025 30 10 IEEE C=CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1nc(-c2ccccc2)ncc1OC 1851637704 TWPPUXXVYAOSEQ-UHFFFAOYSA-N 430.530 2.343 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCC(=O)N(C4CC4)[C@@H]3c3ccccc3)CC2)n1 1853232586 FCROCFPQJJTTQD-RBBKRZOGSA-N 430.512 2.139 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1=O 1855266148 UOFWUFHDOYHCAK-AWEZNQCLSA-N 443.447 2.395 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)OC1=O 1855960943 CASUBGIIFUXGOF-HNNXBMFYSA-N 429.857 2.141 30 10 IEEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 1856095761 NCAIZUXKZGWWAS-IRXDYDNUSA-N 439.603 2.032 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)cc1 1856631477 SSVPNNJDPZGZID-UHFFFAOYSA-N 431.558 2.308 30 10 IEEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 1870106812 HLIARDWNLFUTIN-GFCCVEGCSA-N 434.843 2.475 30 10 IEEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870156393 KVBMACOAOYLBLY-UHFFFAOYSA-N 448.830 2.033 30 10 IEEE CCNC(=O)COc1cn(CCOC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870288457 NZGDAGYWPRDWSZ-UHFFFAOYSA-N 444.557 2.494 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874354248 ZMVXHEUDTGAWLY-UFFVCSGVSA-N 426.458 2.363 30 10 IEEE COc1cc(/C=N/n2c(C)nnc2SCC(N)=O)ccc1OC(=O)c1ccccc1 1874531203 WNHQAQGYSVKHIR-SSDVNMTOSA-N 425.470 2.274 30 10 IEEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCCCCCO)ncnc21 1875232193 CGZPRUGGZOPYMB-UHFFFAOYSA-N 433.553 2.317 30 10 IEEE Cc1ccc(CS(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1889657932 BGONFCDFKJMTPD-UHFFFAOYSA-N 447.645 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060624245 WLCQHPCCUVPYIP-RYUMIWLPSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060640595 WRMRGTRGJPWRLL-ZOFXXKQRSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)C1(O)CCC1 2067742857 LWHJBXYPHMYJIC-JJXSEGSLSA-N 436.358 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2073247688 IFKSGVFKCGWUNG-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE C#CCC[C@@H](NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O 2102893345 TXDRAKJIARQYFS-ZCFIWIBFSA-N 431.127 2.418 30 10 IEEE N#Cc1ccc(F)c(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2195347585 QQHFHBIQROJXNN-SFHVURJKSA-N 434.445 2.382 30 10 IEEE N#Cc1ccc(F)cc1CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195348687 SGAXACJJVASZPU-SFHVURJKSA-N 434.445 2.382 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)C1 2243279855 RIDQNFYWOBOKPI-UHFFFAOYSA-N 425.501 2.368 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773386 JDUFNNKUXHEQBZ-GXTWGEPZSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)COC1 2254801375 ISINIZOPKTYDFE-UHFFFAOYSA-N 437.321 2.473 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CO1 2255526362 SFPUQELDEWQXGH-ZDUSSCGKSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2255629983 DESDYFJSDKNKSV-CQSZACIVSA-N 434.346 2.084 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255630178 GSXSKPKKTSXHRC-KGLIPLIRSA-N 434.346 2.179 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)cs2)OC1(C)C 2255702411 GDQNCSVIBZUBSJ-LJQANCHMSA-N 441.406 2.251 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255810747 MWRXNOBBKSWEJX-ZYHUDNBSSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N(O)CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256658848 NISHQWOOMCRTCC-UHFFFAOYSA-N 432.326 2.497 30 10 IEEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256677252 CDVZTEDSDGRNDM-XJKSGUPXSA-N 435.330 2.248 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256734897 YDYRCHJDRBOORJ-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CCc1nn(C)c(C(=O)NCC2CN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267142849 ZVZPRPZNFJTYNG-UHFFFAOYSA-N 438.381 2.144 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267176756 FBHBKTVSDHEJNQ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCn1cc(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2267185390 URIOCHDLPLVVCZ-MHECFPHRSA-N 436.365 2.207 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267224135 KMIRMYJGBQSTGN-GJZGRUSLSA-N 443.353 2.318 30 10 IEEE CCn1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267484643 BMTNVDBIRSQCPP-CABCVRRESA-N 448.373 2.330 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267491524 FFSOZHNFEKOXGV-UHFFFAOYSA-N 448.373 2.048 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)c1cnn(Cc2ccccc2)c1 2267493274 HIRDHFUKGYUWCS-INIZCTEOSA-N 435.337 2.455 30 10 IEEE Cc1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2267573516 KDUYZEIESQLWFI-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2273937273 QLSIJVKQUFQUSW-UHFFFAOYSA-N 446.328 2.312 30 10 IEEE Cc1nsc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282319947 BFCPFBBCHLGKHX-UHFFFAOYSA-N 435.789 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302961197 VRVOAHOAHULDAS-XXBNENTESA-N 448.585 2.097 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2312856402 NQFHQYOEKWONKY-JQFCIGGWSA-N 429.326 2.118 30 10 IEEE COC[C@@H](COc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1)NC(=O)OC(C)(C)C 2317544535 LVZUAQMCGJZQFN-AWEZNQCLSA-N 438.330 2.308 30 10 IEEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c(OC)c1 2329041932 NCTKCPZHAITVRE-INIZCTEOSA-N 447.561 2.376 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2329322635 FQPBINQVULOZIW-UHFFFAOYSA-N 439.497 2.226 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2336375094 GSWRPQDUKWEPQJ-HNNXBMFYSA-N 448.373 2.426 30 10 IEEE CC(C)(C#CC(=O)[C@@H](O)c1cc(Br)c(Br)o1)S(C)(=O)=O 2365171268 GZZYTHBFYQZHQN-SNVBAGLBSA-N 428.098 2.234 30 10 IEEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1 20528003 GQJUDOAYRWZGND-WYMPLXKRSA-N 443.508 2.384 30 10 IEEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCN(CC)CC)cc2)c2ccccc21 32977978 DFGCRKXHENTZGK-UHFFFAOYSA-N 434.540 2.469 30 10 IEEE CCOC(=O)c1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cc1 59461646 GUUFGTCYSZYVHN-JWGURIENSA-N 440.441 2.030 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCCC(=O)NCc3ccccc3OC)n[nH]2)cn1 59832245 YWLGFNKQTBTLTH-SSDVNMTOSA-N 440.533 2.440 30 10 IEEE C=CCS(=O)(=O)CC(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 71541792 VMRLXUJMPHAKLD-GOSISDBHSA-N 425.503 2.058 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1cccnc1 170194808 HKMSCNHSGGRCOM-OAQYLSRUSA-N 436.512 2.440 30 10 IEEE Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nnn1CCOc1ccc(F)cc1 410072187 FXLLPMXIDFBGLM-UHFFFAOYSA-N 435.463 2.034 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 500586619 DOLIMEWMYFGMQP-UHFFFAOYSA-N 440.551 2.407 30 10 IEEE Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)cc1F 503644679 SGLMFVSKPWIDMP-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@H]2CCCN(c3ncccn3)C2)nn(-c2ccccc2)c1N 505709840 XHBHACHKWDFBOW-KRWDZBQOSA-N 445.531 2.017 30 10 IEEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 507508726 RTZRVXFFJICBCV-UHFFFAOYSA-N 443.525 2.435 30 10 IEEE CN1CCN([C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2cccs2)CC1 545899981 ZSWWWXBUWJPSPS-SFHVURJKSA-N 436.545 2.311 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 549255477 HARGGHYREAOMNM-BBRMVZONSA-N 429.336 2.167 30 10 IEEE N#Cc1cc([N+](=O)[O-])c(N2CCN(CC(F)F)CC2)cc1N1CCN(CC(F)F)CC1 552998119 SOOLXVWGQMWTFR-UHFFFAOYSA-N 444.433 2.241 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555272237 LWMGGBIVNOSHFN-UHFFFAOYSA-N 427.509 2.030 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 569142148 DIGOMQADBQMXGY-MRXNPFEDSA-N 443.639 2.299 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1-c1ccc(F)cc1 569651069 OPEFVUPLUGBSBP-UHFFFAOYSA-N 433.508 2.166 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccccc2)CC1 575433524 XDUFQXYTWZSSHY-UHFFFAOYSA-N 445.571 2.315 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CN(C)S(C)(=O)=O)c1ccc2c(c1)OCO2 599474628 OKMZHSZAPHHCTP-UHFFFAOYSA-N 432.498 2.405 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3ccccc23)c(=O)n1C[C@H]1CCCO1 603797411 DLIPANHKKJHODD-LJQANCHMSA-N 445.544 2.024 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(c4nnc5n4CCC5)CC3)C2=O)cc1 611564552 ZHTZUMSRLARCAD-LJQANCHMSA-N 433.516 2.181 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2ccccc2Cn2ccnc2)CC1 619675916 MKMDSJTWBDNFTG-UHFFFAOYSA-N 438.513 2.179 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@]4(CCCOC4)C3)nnc12 671915794 NMYXRIDORVOMAY-JOCHJYFZSA-N 439.541 2.351 30 10 IEEE Cc1ccc(I)c(C(=O)OCC(=O)N(CCC#N)CCC#N)c1 726057828 AJYDAHSHIJHKCL-UHFFFAOYSA-N 425.226 2.412 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Br)c1 729669676 BFBPKWLNHQQRTC-UHFFFAOYSA-N 448.305 2.336 30 10 IEEE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 744792566 GASLWAOMVARTLU-KQNFGGRRSA-N 441.594 2.443 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(Br)c1 753787925 DIKKLPPYIDQJNX-HNNXBMFYSA-N 430.327 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760668510 JVNGOTOZZCUDCW-KRWDZBQOSA-N 428.537 2.432 30 10 IEEE COc1ccc(OC)c(-n2c(=C(C#N)C#N)sc(=Cc3cncc4ccccc34)c2=O)c1 772903936 FARTVLNDZDVRDE-UHFFFAOYSA-N 440.484 2.491 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 779895092 HMEBZBYISLMCME-DEOSSOPVSA-N 434.496 2.292 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)n1 780254362 JHVMOHWKRZOQHC-IIBYNOLFSA-N 443.481 2.257 30 10 IEEE COC(=O)[C@@H](NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(C#N)cc1 788403217 IENKOAJRJGNRQH-IRLDBZIGSA-N 439.487 2.219 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)c(Br)cc2F)n1 788695356 JTHGSSCXULTETD-UHFFFAOYSA-N 448.289 2.394 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)n1 789051355 CUBPWRULKYUJHT-MRXNPFEDSA-N 438.488 2.494 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Oc2ccncc2)C1 790154522 HQHNAQNIXYRFOP-GOSISDBHSA-N 442.541 2.360 30 10 IEEE Cc1nccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)n1 790761171 RCCNITWLJZDVBY-MRXNPFEDSA-N 432.575 2.046 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 794609091 NZQBRAGRSXGODX-UHFFFAOYSA-N 431.521 2.013 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 800772395 BPSMAFCYWYSZAJ-RTBURBONSA-N 427.505 2.275 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 807466316 TUYSDHLQWRWHDA-SFHVURJKSA-N 427.526 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](c2cccnc2)C1 810077724 OPHYQSUHDCGOGW-GOSISDBHSA-N 429.502 2.331 30 10 IEEE S=C(NCCN1CCOCC1)NN=C1CCCOc2ccc(Br)cc21 819842073 JNZRHIJZHPNHIP-UHFFFAOYSA-N 427.368 2.122 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)C2=O)cc1 1138181603 XKUKNDJIVUZXKA-RCZVLFRGSA-N 432.524 2.197 30 10 IEEE N#Cc1cn(CCC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(=O)nc1O 1141546118 DXQTUQADLIRZHL-UHFFFAOYSA-N 429.480 2.090 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)n1 1148212411 BYJWAKTZODIAFI-RMKNXTFCSA-N 430.436 2.245 30 10 IEEE C=C(C)c1cccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 1210293022 VXLLADLKRVFWLV-UHFFFAOYSA-N 429.546 2.388 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1 1213126523 IFAOICNIFWVQNL-IBGZPJMESA-N 449.960 2.440 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1213955758 WPBXIMJDAVWARB-KRWDZBQOSA-N 449.573 2.304 30 10 IEEE C=CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1214886219 UYMMZDGXUSEYCB-UHFFFAOYSA-N 430.530 2.436 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccnn2Cc2c(OC)cc(OC)cc2OC)CC1 1216837954 ANVSSYGYAFKXJY-UHFFFAOYSA-N 427.505 2.176 30 10 IEEE COc1cc(CNC(=O)N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N 1248505696 QAHVOSLWMWEVJQ-QFIPXVFZSA-N 430.505 2.488 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)[C@@H](C)CC 1286409154 PBALFRZERCQKBO-PKOBYXMFSA-N 442.589 2.372 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCN(C)C1 1286768143 RQOYDGZMUPCHAT-HSZRJFAPSA-N 438.532 2.306 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)C1 1286858982 GPGXBMZXSZSWJB-HKUYNNGSSA-N 434.548 2.371 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1290175956 AVIRTCUXAXKECU-SFTDATJTSA-N 425.533 2.492 30 10 IEEE CN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1cccc(C#N)c1 1292031708 MKNCIRRDDNQEHU-KBAYOESNSA-N 433.530 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300315111 QOAITRYPNVLIIM-AWEZNQCLSA-N 446.577 2.385 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1300381120 OMFCNTOKZIFSKL-GOSISDBHSA-N 440.935 2.086 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1300403425 LEWGHRUIGMNVQD-CVEARBPZSA-N 426.487 2.353 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1300658160 BZTINDXJZLWWHF-QFBILLFUSA-N 427.505 2.410 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1300915249 KTNGZQZJQWNMTH-YJBOKZPZSA-N 440.504 2.181 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1301134210 FTJSSUIVZVAFLG-KRWDZBQOSA-N 442.495 2.387 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1301618796 ZEHHEXKTUCAGEC-UHFFFAOYSA-N 438.623 2.072 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCCCC1 1302092347 IOPJKANUZHDAEE-FPOVZHCZSA-N 445.612 2.055 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1cccc(C)c1 1306198751 RDWAQSOCQPETTO-UHFFFAOYSA-N 444.543 2.172 30 10 IEEE O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893371 VGINFOVNSFSQBC-UHFFFAOYSA-N 435.396 2.298 30 10 IEEE COc1ncccc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1315677263 CHGILAXPWBRPAQ-HNNXBMFYSA-N 426.427 2.328 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1316125079 FKJGFVYOEGEDOO-KRWDZBQOSA-N 431.500 2.487 30 10 IEEE N#CC1(CC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CCOCC1 1350110354 HWVHUKHFRBLFDS-UHFFFAOYSA-N 441.919 2.245 30 10 IEEE C#CCN(c1nnc(C)n1CC1(c2ccc(OC)cc2)CCC1)[C@H]1CCS(=O)(=O)C1 1358956996 OCPFLCRHZBTLOG-IBGZPJMESA-N 428.558 2.344 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1358961904 GWFXZGCAPVXNHO-IRXDYDNUSA-N 449.602 2.236 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1358969540 QZMRKPZENUOCLK-SZVBFZGTSA-N 429.521 2.219 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CC(=O)N(CCOC)C1 1358974663 MWJQIRBHMQCKIY-KRWDZBQOSA-N 425.920 2.166 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1OCC(F)F 1358982452 XPJXGJWJMGADQC-UHFFFAOYSA-N 439.470 2.300 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359052933 VTCQCQNHRXNGIQ-FUHWJXTLSA-N 444.557 2.323 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359136741 UCSZKIGKUZICQG-QHCPKHFHSA-N 441.532 2.175 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1cnn(C)c1 1359237712 KAAXBASVVLMYQX-UHFFFAOYSA-N 428.566 2.227 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N(C)C 1359263086 PDBWSUOKNVIIOV-UHFFFAOYSA-N 432.575 2.486 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1360471578 KDODFNAPPBSGGZ-ZIAGYGMSSA-N 437.957 2.013 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCS1 1360821812 KVAQFFLQZFNIBH-UHFFFAOYSA-N 449.602 2.210 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1437314203 DIOZUIKRITVXSX-OAHLLOKOSA-N 434.212 2.227 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CC1 1439014591 KXPOLEMRKFBEBN-FHWLQOOXSA-N 445.585 2.378 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(=O)NCCOC)CC[C@@H]3C)n[nH]2)c1C 1442313027 HXSLQTWILCAOPM-YOEHRIQHSA-N 428.537 2.079 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c(OC)c2)CC12CN(C(=O)OC(C)(C)C)C2 1456292046 MYQRJHOLXODQKV-INIZCTEOSA-N 429.473 2.049 30 10 IEEE COc1ccc(C(=O)N(O)Cc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 1458004312 RSRAWHDXJPXRHL-UHFFFAOYSA-N 440.905 2.401 30 10 IEEE N#Cc1cc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)ncc1Br 1458121950 QYLWXVVBGUPMSJ-UHFFFAOYSA-N 447.318 2.103 30 10 IEEE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1466643362 WGAKGDPABJGYIV-LJQANCHMSA-N 443.456 2.118 30 10 IEEE Cc1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc(C(N)=O)c1 1468236508 XZOPAEVVPGIGGJ-UHFFFAOYSA-N 428.514 2.332 30 10 IEEE C#CC[C@@H](COC)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1470741452 ZBXMRXDVCHMGAY-BBWFWOEESA-N 428.558 2.490 30 10 IEEE O=C(N[C@@H]1CCc2nnnn2CC1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1478843393 KZILQZNNVHWULS-VGMNWLOBSA-N 448.318 2.190 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1OC 1503806561 FBTLBNYZPLUHHY-HKUYNNGSSA-N 426.521 2.116 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1504026920 FNCGVUSPIZTCHO-NLSFWIRASA-N 441.532 2.274 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCCCO)CCN1C1CC1 1505322749 SUZANEBEHXVBHL-KRWDZBQOSA-N 430.940 2.174 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1507516448 LEYOXWONWOFPDG-CHWSQXEVSA-N 425.942 2.057 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507629666 OERZXQJVQNBAMZ-UYAOXDASSA-N 429.590 2.302 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)N1CCc2ccccc2C1 1507638479 RKLPRBWHUSQEDP-JOCHJYFZSA-N 432.572 2.326 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1507678451 HYNQBZNMLPCJHS-NFBKMPQASA-N 433.597 2.279 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)N2CCOCC2)CC1 1507720280 FTJGJUJQFYCKTK-QGZVFWFLSA-N 446.958 2.214 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCOCC1 1507814014 AKVBSLJWNMNWFL-UHFFFAOYSA-N 438.536 2.255 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507883766 IMPUKNDAPXJKPI-SFHVURJKSA-N 431.562 2.285 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC)C1 1508091273 MQOOBDZKCMIBAB-DLBZAZTESA-N 448.568 2.125 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1508741266 ZRRCELLJQURZAC-IRXDYDNUSA-N 427.461 2.004 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1514263336 GUZOCSIKJNBNGM-RXVVDRJESA-N 431.562 2.239 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)CCC1 1515976558 GFJXEKPOBVXXDF-UHFFFAOYSA-N 432.532 2.493 30 10 IEEE COc1cc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)ccc1C 1517979631 ATEBHHUMEALLJJ-AEFFLSMTSA-N 431.562 2.478 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC1([S@@](C)=O)CCC1 1519423293 CMWLEFXOJBOJLM-XVYPEUIUSA-N 435.594 2.433 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cncc(N3CCCC3)n2)c1 1525781378 QHXLPKUMAQGAJX-MOHJPFBDSA-N 428.518 2.142 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1539068352 TVRVMSFDSVMWPV-UHFFFAOYSA-N 435.488 2.286 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1539094273 NFZWCTQLQACLFY-CQSZACIVSA-N 427.521 2.317 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1539101877 LKNKDNRKAWFXLS-JTSKRJEESA-N 444.557 2.146 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539142854 WUWOCSJWLRTADV-ROUUACIJSA-N 432.569 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@H]1C 1539300786 HZQTUJOWZFRYIC-YWZLYKJASA-N 446.349 2.049 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1539462920 PUMATQLZDUCRLV-MBDNFAEBSA-N 445.608 2.209 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1CCOCC1 1539533379 PEMOMSLJIQIFPS-HSZRJFAPSA-N 430.597 2.299 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539569746 SUOPZFVVWOBIQW-VQIMIIECSA-N 429.487 2.460 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539627664 KTFMWJQZLLYPBR-HDAAZOAOSA-N 443.596 2.205 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(CC)ns2)CC1 1539779167 PFXXRDFCTTUCOR-CQSZACIVSA-N 441.989 2.495 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539793291 BRWPPLZNKXXEAR-INIZCTEOSA-N 431.972 2.438 30 10 IEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1539798336 FALVUSLXKNSEOT-CQSZACIVSA-N 427.896 2.451 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)(F)F 1540184619 GUFZYRULDMIIPG-UHFFFAOYSA-N 435.410 2.242 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2NC(=O)CC2(C)C)C1 1540893753 JROXDHHMALDBCP-IAGOWNOFSA-N 430.578 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCC2)CC1 1540901304 ZNUDELFHXGWDLH-UHFFFAOYSA-N 445.589 2.229 30 10 IEEE Cc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1542598995 YMTKYMQMLJMPEN-UHFFFAOYSA-N 428.382 2.479 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)s1 1544017204 CZNRMCVJEJZHMD-UHFFFAOYSA-N 447.582 2.048 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(N4C(=O)CNC4=O)c3)CC2=O)cc1Cl 1544686204 IGGASSCXTLADHB-CYBMUJFWSA-N 437.843 2.259 30 10 IEEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1547075911 IJFVHCPFAGCZIB-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)cc1 1547758151 GWGUMIDQNXQRHY-OPAMFIHVSA-N 444.511 2.242 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367742 KSMYNLXBTVQAMI-QGZVFWFLSA-N 447.417 2.058 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)c2ncccc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367841 QXUSSOJJBUOXLJ-QGZVFWFLSA-N 431.418 2.358 30 10 IEEE COCCCN(C)CCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1555483492 MDXDGBGNQPBOFL-UHFFFAOYSA-N 431.972 2.407 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1 1558208125 WSIQERLFICHVCN-OAHLLOKOSA-N 428.510 2.375 30 10 IEEE N#Cc1cc(NC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)ccc1Br 1558555213 JKIVUJHDSRCYOT-GXTWGEPZSA-N 442.277 2.229 30 10 IEEE COCCOc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1Br 1558659669 QJDNVKBYLQTUBZ-ZCXUNETKSA-N 438.278 2.329 30 10 IEEE COC(=O)CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCOCC1 1559566850 PMFBDOQZCZBSHZ-UHFFFAOYSA-N 426.435 2.217 30 10 IEEE C#CCN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@H]1CCOc2ccc(Br)cc21 1565764515 PMABJQCQUQBZBP-CJNGLKHVSA-N 430.306 2.374 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1cccc(F)c1 1587562996 WBZASMMCOKSAKS-ZOBUZTSGSA-N 437.541 2.343 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1587850994 AYPSBTNVAOLRNY-KSZLIROESA-N 442.564 2.478 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)c2)c1 1587855635 LMXSTMKFXFDMNN-FCHUYYIVSA-N 442.475 2.241 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1588083786 JYLLDPFLKXBCJZ-ATGHGOICSA-N 442.523 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1588218702 ARDZMJNUDRIBND-IBGZPJMESA-N 445.571 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCc2nccn2C1 1588251141 MCQCMFJVTHZPHH-GOSISDBHSA-N 447.568 2.192 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCOC1 1588594757 KFNYIZHBBZKWTM-AOMKIAJQSA-N 430.574 2.369 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCSC2)n1 1588722957 IPBRDHVRINWOME-RBUKOAKNSA-N 444.605 2.408 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1594659701 FOMLFQCAGYULDR-UHFFFAOYSA-N 442.486 2.375 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1)C1CC1 1595058581 PWXANLORQFREER-SONCPKABSA-N 443.573 2.479 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1595064998 GEHDJEYRGPWPDW-HDICACEKSA-N 430.597 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1595496914 KQSPIEFQVKJSID-RDJZCZTQSA-N 431.562 2.276 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595516220 BOHIQZZYTMNZAD-MBSDFSHPSA-N 425.533 2.330 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1595516921 LWGZUEBNICTBKY-BBRMVZONSA-N 434.422 2.275 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2C[C@H](C)O[C@H](C)C2)CCOC1 1596792363 VXAVZRGUOAFDIT-ISHFTEKXSA-N 448.612 2.414 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1597693726 DLGQISYOPVLRKV-OAHLLOKOSA-N 442.545 2.368 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCn2cncn2)CCOC1 1610346502 CMQCTWTUHWXXQD-QFIPXVFZSA-N 436.520 2.118 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1 1613594389 IDMDLEFUYUHBGT-VQIMIIECSA-N 426.521 2.393 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615888612 GATCSLBHAVFYGP-QHCPKHFHSA-N 441.555 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@H](OCCO)C1 1616318068 ZZVRTVFZCNDFQH-AZUAARDMSA-N 429.517 2.392 30 10 IEEE CN(c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1617777573 UOSGXVQRKXXYMD-INIZCTEOSA-N 441.513 2.036 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](OC)c1ccc(F)cc1 1620110953 GXCFTDKWXCFYFL-LEAZDLGRSA-N 445.495 2.258 30 10 IEEE C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 1621601829 GANGTQWRJJNKGE-UHFFFAOYSA-N 426.604 2.278 30 10 IEEE COC[C@]1(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCCCN1C(=O)OC(C)(C)C 1623197455 POWBJQKHUDOSCE-NRFANRHFSA-N 434.541 2.061 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)CC1 1623968861 CLNHHGUZJLZHGG-SQNIBIBYSA-N 449.548 2.486 30 10 IEEE COc1ccnc(N2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n1 1626269146 FKGSDZAHLOLSJB-MRXNPFEDSA-N 432.525 2.111 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1629300120 BOWHKLWRJZNLKX-OAHLLOKOSA-N 449.943 2.048 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cs1)C(N)=O 1631335846 MRPCDQWLNMNSNS-CXAGYDPISA-N 429.571 2.260 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 1632395127 WNGXSJQOPZBSNK-UHFFFAOYSA-N 433.461 2.464 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC(c3ccc(Br)cc3)CC2)c(=O)nc1O 1633987246 FGGLXJIIXYZSHL-UHFFFAOYSA-N 431.290 2.379 30 10 IEEE C[C@@](CO)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 1635484721 FROHTMLCXIXTJI-SFHVURJKSA-N 442.324 2.167 30 10 IEEE C#C[C@@H](CC)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1635863214 MXIDQZYYVRVXHC-ZDUSSCGKSA-N 426.311 2.277 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCN(CC(F)F)C3)C2)C1 1636570097 HBMSUDWREHIAAE-KHQOZGCUSA-N 426.508 2.476 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CF)CCOCC1 1636865497 BSUSLTKBKJGUMZ-MRXNPFEDSA-N 425.526 2.166 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1C(=O)OC(C)(C)C 1641712769 TYSYIHYBZBLFSV-HNNXBMFYSA-N 443.525 2.497 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3cccc(OC)c3)CC2)c1 1643043644 QJLFJYJABQNRLB-JOCHJYFZSA-N 442.537 2.193 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)COc1cccc(Br)c1C#N 1646541649 VURNGMCIMLISRJ-CYBMUJFWSA-N 433.262 2.334 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)c1 1664432655 WZXKKTKHQXKUFR-UHFFFAOYSA-N 428.329 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2Cc3ccc(C#N)cc3C2)C1 1685137225 ZTCLHFIVDRETER-GOSISDBHSA-N 448.545 2.008 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1690175319 UQKBLMGSSVXULX-YJBOKZPZSA-N 428.514 2.156 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690181332 VISGLNZKWPMKLH-HSZRJFAPSA-N 441.601 2.401 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690225956 RPMUJPGLXCPSFY-RHSMWYFYSA-N 433.354 2.406 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690239536 YDCCZOOIXXFNIG-FXAWDEMLSA-N 449.552 2.218 30 10 IEEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCN/C(O)=C1\N=CC=CC1=O 1697547473 SHIFEDVUUMQWFE-APFMSCDFSA-N 435.488 2.076 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1698023954 GQQWDSFFWVZEJV-SIKLNZKXSA-N 437.592 2.458 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C[C@H]1OC 1698289352 GTBQGFNYRNTIGG-CALCHBBNSA-N 425.518 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCc1ccco1 1705479599 KAQRTSSFODMNBJ-LBPRGKRZSA-N 431.294 2.403 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(O)(CC)CC 1705606666 BWCVFCHHGVKWCS-UHFFFAOYSA-N 433.578 2.206 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)NC1CC1 1705625281 FGMCTROMRSJDST-IBGZPJMESA-N 438.507 2.067 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(N(C)C)CCCC2)CC1 1705649403 WPQHTAFSZMQDQD-UHFFFAOYSA-N 437.592 2.124 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1705737137 KQBZHIPHYYVYQB-VQIMIIECSA-N 427.505 2.085 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705827964 WWJIQPKSQMMVFA-NRFANRHFSA-N 438.576 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@H]1CC 1705900590 JDAYUIYTZCZHPY-NVXWUHKLSA-N 445.593 2.165 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC(C)(C)O 1706626150 DCFLEODUPOODOH-GOSISDBHSA-N 426.521 2.027 30 10 IEEE COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)cc1 1711877988 ZIEUBTXMIQUBPT-HNNXBMFYSA-N 436.472 2.046 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722322201 PAZULTVEIVMPTK-SFHVURJKSA-N 428.581 2.305 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722351146 ITFMBNGHKXDLBT-FQEVSTJZSA-N 426.540 2.020 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722361711 OLECNGFVPWOQPT-IEBWSBKVSA-N 433.578 2.351 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722364310 FSTBDUGLGMOWSB-NFBKMPQASA-N 444.601 2.355 30 10 IEEE C#CCN(c1nnc(C)n1CC1CCN(Cc2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 1722365777 PJHVXZSOQYAIOS-IBGZPJMESA-N 447.630 2.187 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1722371606 XIKRSCXRPXIPTI-UYAOXDASSA-N 444.557 2.203 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722382252 GRXHNOCJBCQGKJ-LWYYNNOASA-N 439.560 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CCOCC1 1722390909 XBQCNMIEBLJQBB-IBGZPJMESA-N 436.516 2.285 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722528227 WZTPBYCXCRCGKK-LJQANCHMSA-N 430.597 2.417 30 10 IEEE Cc1ccccc1-c1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1724572449 QTMJOEFMWWKGCD-MBOBHEEDSA-N 436.516 2.395 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CC(=O)N(C)C)n1 1726033115 DTNOTQMOZLBCFX-UHFFFAOYSA-N 444.543 2.393 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)C[C@H]1OC 1730993224 ANLUBUNPDIUPCI-DWIQEWEKSA-N 441.532 2.251 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN(CC)S(C)(=O)=O 1740552937 SJZAFEXGYIPEOM-HNNXBMFYSA-N 439.532 2.277 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740618506 IRCCGYZHNIAGRF-NZQKXSOJSA-N 442.585 2.295 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCCS(C)(=O)=O)CC1 1740819338 MUMCBSMBBOXFOT-HXUWFJFHSA-N 426.583 2.302 30 10 IEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1740863314 VCUBSZFREPHKGU-LJQANCHMSA-N 447.561 2.229 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F 1740941349 ITUKPOTXJGFOAR-HNNXBMFYSA-N 440.516 2.340 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](OCCC)CC1 1740991660 AYSFSPZRFPAOIM-QZTJIDSGSA-N 426.583 2.168 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCSC)c1 1748694217 AVWKJOUTXLLUFM-UHFFFAOYSA-N 440.573 2.210 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1748757842 MJKYWWOIFISGOB-RBUKOAKNSA-N 428.581 2.335 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccnc1)C(C)C 1748846492 HKKWHPLKSJLSOW-WOJBJXKFSA-N 425.558 2.088 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nc(C)no1 1748944637 APQDHTHFLUZGKZ-SFHVURJKSA-N 437.479 2.332 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc(F)c(F)c2)CC1 1748978429 OKKMXIPAWPMLCB-QGZVFWFLSA-N 433.503 2.278 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749134032 TUSIDXWJRHVSMN-LAUBAEHRSA-N 425.533 2.490 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CC(N)=O)C1 1749219613 NBAWBZWAHDRIQQ-MRXNPFEDSA-N 427.505 2.358 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749219889 VYLGXDVGGYIADD-OAHLLOKOSA-N 436.534 2.136 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749241911 WIZJSVUJXMNPIL-GUDVDZBRSA-N 446.596 2.345 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H](C)C1 1749665936 DBCJVLNKFWEMNM-JKSUJKDBSA-N 445.593 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1CC 1749666721 QUTDRKYZYDDJDB-MAUKXSAKSA-N 435.532 2.119 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1750008143 NMOSIZGOEDWUCJ-LPHOPBHVSA-N 429.521 2.007 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCSC2)CCOC1 1751017865 PUZZKFZOUPHWBC-SFTDATJTSA-N 435.594 2.317 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760115720 JVXWTFUZHBPQNI-MAUKXSAKSA-N 435.981 2.404 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1-n1cccn1 1760207274 CTCMRDBPRNZFKJ-UHFFFAOYSA-N 448.490 2.431 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCCn1cc(CO)nn1 1760241244 UGVPMXRZEPTNNG-UHFFFAOYSA-N 446.490 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(C(C)C)C(C)C)CC1 1760268672 VMMSELQHKHOXCK-UHFFFAOYSA-N 437.592 2.425 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760380636 JMRIMBJUIYJNMJ-GOSISDBHSA-N 436.988 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760518973 NNEJOIOJTIQCPV-INIZCTEOSA-N 441.561 2.488 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)C2(CCC2)C1 1760547776 RGXIKENFVXHSLF-KRWDZBQOSA-N 435.594 2.131 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)n1 1762416882 BRUVUZVBNYRRRT-HXUWFJFHSA-N 448.575 2.369 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)O1 1762426303 LPVYALURDIMZGW-GCKMJXCFSA-N 425.493 2.002 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)C(C)(C)C 1769679815 CKMFRVRCDNUCLF-FQEVSTJZSA-N 440.548 2.458 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1770017263 NRRJHVRVKSOLQS-LPHOPBHVSA-N 439.582 2.099 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CCOCC(F)F)cc1 1771532965 UNBHGUBGVOZBAX-QGZVFWFLSA-N 445.474 2.139 30 10 IEEE CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)ON1C(=O)c3ccccc3C1=O)C2=O 1772789934 HRHOMRAJYMOLRN-UHFFFAOYSA-N 427.457 2.268 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1F 1848459923 PBWSDPYIFMERKR-UHFFFAOYSA-N 449.490 2.043 30 10 IEEE COc1ccc(-c2cc3c(N4CCC(C(=O)N5CCO[C@@H](C#N)C5)CC4)nccn3n2)cc1 1848553718 JSDAKMWTRHAZQW-FQEVSTJZSA-N 446.511 2.372 30 10 IEEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H](N2CCS(=O)(=O)CC2)C(C)(C)C)c1 1851199808 HSTCRNNNZFJVQB-GOSISDBHSA-N 429.546 2.136 30 10 IEEE C=CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1cc(C(F)(F)F)nc(SC)n1 1851874538 QOWJLGYKSULVBI-UHFFFAOYSA-N 438.497 2.408 30 10 IEEE COc1ccc(N2CCN(C(=O)c3nc(C)c(Br)c(C)c3C#N)CC2)nn1 1851972424 ZKBVAJXCUPAFLL-UHFFFAOYSA-N 431.294 2.094 30 10 IEEE Cc1nc(N(C)C(=O)[C@@H]2CN3CCN2CC3)c(C#N)c(C(F)(F)F)c1Br 1852406245 NCTDWAHTVGBNER-NSHDSACASA-N 432.244 2.006 30 10 IEEE N#Cc1cc(CNC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccn1 1852751411 WCGVHWYPYVQNGJ-UHFFFAOYSA-N 438.841 2.459 30 10 IEEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC(F)(F)OC(F)(F)C3)ccc21 1856566362 OZDHJQXRBPMROH-UHFFFAOYSA-N 436.383 2.275 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN([C@H](C#N)c2cccc(Br)c2)CC1 1857957599 VUCTWAOOQVIRKZ-MRXNPFEDSA-N 438.351 2.360 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1Cl 1858336006 RBNWYJJWBGVIDR-OAHLLOKOSA-N 439.946 2.262 30 10 IEEE C=CCOc1cn(CCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870385809 NBHMZOMNZCVTLH-UHFFFAOYSA-N 428.489 2.026 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1cccc(OC)c1 1870983352 SCPQHZXMXHCNJX-FQEVSTJZSA-N 427.501 2.329 30 10 IEEE Cc1nc([C@H](C#N)C(=O)CN2CCN(Cc3ccccc3)CC2)sc1C(=O)N(C)C 1872797704 RZMWMNWSNCGIJR-GOSISDBHSA-N 425.558 2.147 30 10 IEEE COC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874346732 CRDKAHYLMLEUFO-CIAFOILYSA-N 428.470 2.458 30 10 IEEE COCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(C(=O)OC)cc1 1874474340 YRYUTQOXYDEYPB-SRZZPIQSSA-N 434.518 2.427 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1 1891003834 MNPPHRJIHJOGOI-UHFFFAOYSA-N 428.431 2.184 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F 1891852598 GCSSZQFOVCCNEB-LJQANCHMSA-N 446.460 2.465 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1896417179 NIQWZWZUEFHPSN-MGPQQGTHSA-N 427.498 2.035 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900473805 ACEFTNUWQMRANP-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060620680 DLUGORKJWIVQKD-FIDHJVLJSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751773 IGUXPLPJKWTYEM-LMGVVVSRSA-N 436.358 2.442 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2174785962 DWUOFTBSABVFLO-MRXNPFEDSA-N 433.461 2.013 30 10 IEEE N#Cc1cccc(CCNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 2184143445 OJKJRMOUPWQEJI-UHFFFAOYSA-N 425.510 2.487 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212225396 FHGATFHGUPFILJ-GXZWQRSESA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2255076660 QEFMDJKTNHBKJD-UHFFFAOYSA-N 439.337 2.233 30 10 IEEE CC(C)C[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255597442 QAXDNOCCQUHOGK-CQSZACIVSA-N 436.362 2.378 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)n1 2255630092 FQLYACZIGBXGNH-CQSZACIVSA-N 436.362 2.093 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255699967 VSNZVGANWQKSTI-KOMQPUFPSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808757 OBKRDWYPMRPCBR-RHSMWYFYSA-N 431.342 2.414 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255843998 OWUBRXNQDMHJKN-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255879498 PYWTZKVDAPDSSW-FPTDNZKUSA-N 429.326 2.120 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)[C@H]3CCOC3)c2)OC1(C)C 2255950251 JUVPSILGSKLIIS-IBGZPJMESA-N 444.362 2.361 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256884130 DZXLMICUSCXSPF-CJNGLKHVSA-N 437.321 2.160 30 10 IEEE Cc1cnc(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2267118332 JQNUUTOYLGZALQ-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267126391 ABGIXIXPYOGGHP-CQSZACIVSA-N 448.373 2.237 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 2267179499 QWEBNXSJYIMYER-IBGZPJMESA-N 438.381 2.361 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2267222076 WAKBGORSWWCJQY-QZTJIDSGSA-N 446.353 2.004 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2267501704 BTTUNWZPKRPKQZ-HNNXBMFYSA-N 448.325 2.275 30 10 IEEE Cn1cc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267503209 ZLCZZKJQPHIPNM-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE Cc1cc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)oc1B1OC(C)(C)C(C)(C)O1 2267520923 NBCQJSGDCMIFJS-UHFFFAOYSA-N 444.259 2.418 30 10 IEEE Cn1cc(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267524338 OMTWQTLANLQVFT-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC1([C@@H]2CCCN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C2)OCCO1 2282848069 IQKLZQRGVFPCIL-CQSZACIVSA-N 443.396 2.211 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2296291761 RXYJBRWYMPLZIP-SQNIBIBYSA-N 439.350 2.385 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 2296550422 RUVGDQJNKFUXAI-HXUWFJFHSA-N 426.469 2.351 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300333413 DZGNEBYTOKSJEO-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1C(=O)O 2327443211 PWLQYNBPRXTBMA-UHFFFAOYSA-N 447.423 2.293 30 10 IEEE COCc1nnc(SCC(=O)OC)n1N=Cc1cc(Br)c(O)c(OC)c1 2331591789 IUCJDXUMSOPLJD-UHFFFAOYSA-N 445.295 2.049 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)n1 2337024937 HFTUWNBLCSFYBJ-KRWDZBQOSA-N 445.369 2.250 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)n1 2337024942 HFTUWNBLCSFYBJ-QGZVFWFLSA-N 445.369 2.250 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 2337210234 YREIPIUUQJTZQA-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(=O)NCc1ccc(C(=O)N/C(=N/c2ccc3c(c2)OCO3)NC[C@H]2CCCO2)cc1 15828185 HKRCTMRESJADQS-LJQANCHMSA-N 438.484 2.238 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1 20527358 VBHNNRBXNDYOQO-AWQFTUOYSA-N 442.461 2.091 30 10 IEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2cccc(F)c2)c1=O 21655779 AYEWPLOXNZZCPH-UHFFFAOYSA-N 431.493 2.430 30 10 IEEE COc1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 90729988 LBWHWPQAVWAJFE-UHFFFAOYSA-N 428.510 2.292 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)C1 238951294 WZCSZXNRBRCZJZ-QGZVFWFLSA-N 440.891 2.314 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CCC1 430986754 DUQIKWHATAWYPD-NSHDSACASA-N 449.374 2.249 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CN1CC(=O)N(C)C1)c1ccc2c(c1)OCCO2 462356361 HIFJCLYDZLWTEE-UHFFFAOYSA-N 437.496 2.287 30 10 IEEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482506243 ISVHTPNNSJFNHZ-ZTNFWEORSA-N 447.557 2.195 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 487385071 CINJVONWQVDEFM-QFIPXVFZSA-N 442.523 2.482 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cscn2)c1=O 497558562 SJPQCKSXYOJLST-UHFFFAOYSA-N 436.562 2.226 30 10 IEEE Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CCN(C(=O)CC#N)CC1 503624112 HZMZUEUPVWWKLL-UHFFFAOYSA-N 434.422 2.030 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507320549 AVJPJCPRPGJJEY-HSZRJFAPSA-N 444.532 2.040 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(c2cc(OC)ncn2)CC1 508478898 UWKCOSZZJIZCAT-UHFFFAOYSA-N 425.468 2.307 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Cl)cc1 508829176 YAEYZEIMYVHPBS-QGZVFWFLSA-N 439.969 2.129 30 10 IEEE COc1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc(OC)c1OCC(N)=O 513742264 VWOVRBJDHORNBJ-UHFFFAOYSA-N 425.485 2.483 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cc1F 518284146 TVIZKKWZAMXVFF-KRWDZBQOSA-N 426.513 2.409 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1C[C@H]1CCCO1 521775925 JRLWEYVNRAJDDX-OAHLLOKOSA-N 445.610 2.132 30 10 IEEE CC(C)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1nnc2ccccn12 542544709 MCOSPHFQMVYYME-DYESRHJHSA-N 437.573 2.487 30 10 IEEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(F)(F)F)c(F)c2)c1=O 542728517 QGMUKBVHDBMGAL-UHFFFAOYSA-N 440.418 2.399 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 558980725 JYHIKAJHUVBVLP-KRWDZBQOSA-N 441.561 2.256 30 10 IEEE N#Cc1nccnc1N1CCC(CNS(=O)(=O)c2ccc(Br)cc2)CC1 585227289 YLUFESWZIFCAFS-UHFFFAOYSA-N 436.335 2.306 30 10 IEEE N#Cc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1 586564658 CAEBQNYYUVRBAD-UHFFFAOYSA-N 434.477 2.388 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)cc2F)c1=O 603800074 RROSXHAPEFTTEY-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE C#CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1C)[C@@H]1CCS(=O)(=O)C1 729968632 NNILFURVOVAYIG-MRXNPFEDSA-N 436.331 2.206 30 10 IEEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730142339 OHUFAHSCMSTJSQ-INIZCTEOSA-N 426.970 2.376 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)cn1 735069411 UPIQHHQEKRBKMN-UHFFFAOYSA-N 443.532 2.249 30 10 IEEE Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 735879878 ICHYDMPZNNVQER-VXPUYCOJSA-N 428.514 2.039 30 10 IEEE COC(=O)[C@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc(C#N)cc1 754695519 YXNPEQXCUOEUOX-OAQYLSRUSA-N 427.526 2.488 30 10 IEEE CO[C@@H](CCNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757473299 DYBYQZSGZMRPMK-NRFANRHFSA-N 436.464 2.134 30 10 IEEE COc1cc2c(cc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OCO2 760202968 UOEWECYUHGTQIV-UHFFFAOYSA-N 428.344 2.433 30 10 IEEE COc1cc(C#N)ccc1COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 766883793 VSIAESOWMIQZTJ-UHFFFAOYSA-N 425.260 2.334 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc[nH]n1 772541820 SWKZAEPXCMFEHQ-MRXNPFEDSA-N 428.493 2.199 30 10 IEEE COCc1nc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)co1 775076780 JZFGMXHUYFYHIK-AWEZNQCLSA-N 442.472 2.347 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 780906028 BMIYEWYCDYJNRN-JOCHJYFZSA-N 446.486 2.164 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1-c1ccccc1C#N 783953286 YDZSTNINAFTCCE-UHFFFAOYSA-N 433.836 2.359 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC2(CC(=O)OC)CCCC2)c1 786623833 PAKHPLRVXQUXSP-UHFFFAOYSA-N 426.513 2.373 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@](C)(O)Cn1ccccc1=O 790682748 MVQHQEXIADJXBK-QVKFZJNVSA-N 429.498 2.033 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)cc2)nc1 816462897 WLLQPEPKYDQBBH-INIZCTEOSA-N 439.453 2.022 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Cc1ccc(C#N)cc1 914788875 HNOPPZPNRZSAFK-WJDWOHSUSA-N 438.553 2.135 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)c(OC)c1OC 916192493 LMJHKXFNMFJFSZ-UHFFFAOYSA-N 437.452 2.091 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1135602729 CRCONTCQEQCEAI-UHFFFAOYSA-N 428.455 2.176 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2nc(C3CC3)n[nH]2)CC1 1136704210 OSWAZCKWVPKLNI-MRXNPFEDSA-N 429.322 2.396 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnc(S)n3C3CC3)C2)C1 1144022268 ZNNASUWUDNRJMJ-DAIAYTDJSA-N 432.550 2.305 30 10 IEEE CN(CCNC(=O)C1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1)Cc1ccccc1 1148288036 NBTKZXUOPKCUDE-QHCPKHFHSA-N 434.540 2.078 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2C(=O)OC)OCCCO3)c1 1151686988 GCWQTNPHWWDASG-UHFFFAOYSA-N 446.481 2.351 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3cccnc3C#N)CC2)cc1 1189337208 CTYBEUHIUUPSSZ-INIZCTEOSA-N 430.555 2.275 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 1215452205 MQVOMADMCBOTSE-UHFFFAOYSA-N 439.534 2.144 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1286275054 QLHQGGWTQQBYCA-CVEARBPZSA-N 433.578 2.333 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286329329 UUTBYSPDWXFIND-REWPJTCUSA-N 449.603 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCC(F)(F)F 1286407499 WZTNXLFXHTVQAM-UHFFFAOYSA-N 429.406 2.136 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(C)c2)CC1 1286484685 NHXFUTKUQNCZMY-UHFFFAOYSA-N 433.560 2.282 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1286485619 RNMDZYMTYUFJEG-RTBURBONSA-N 432.569 2.046 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286774996 UQNCOVIOPYEZFU-DLBZAZTESA-N 430.553 2.293 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCOCC1 1288517980 HOGOOBUMADFGIK-OAHLLOKOSA-N 430.509 2.330 30 10 IEEE Cc1nccnc1CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1290536117 RJQMFDHDOUIZOA-UHFFFAOYSA-N 431.548 2.411 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3COC)s1 1296581938 BPYOANLPJXCXCK-UHFFFAOYSA-N 449.554 2.277 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 1297323338 TVBRUYWICHNNCB-GOSISDBHSA-N 426.970 2.288 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)CCOc2ccccc2I)CC1 1297802396 OLKMXUZJWAZHRI-UHFFFAOYSA-N 442.253 2.365 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1 1298086766 FMACGVWOVKRTAE-UHFFFAOYSA-N 426.521 2.382 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1300481877 CDHJJRQWPIUVDZ-SJORKVTESA-N 446.621 2.325 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1300498838 NJUGOXWWLOWHEI-RTBURBONSA-N 445.614 2.176 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301029608 RLNWMWQVXNNAPC-CZUORRHYSA-N 436.896 2.075 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1301379453 LNDKQGKKKQZJQN-UHFFFAOYSA-N 438.532 2.016 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2ccnc2)C1 1301536187 SAMCPBCJAKTMAY-IBGZPJMESA-N 435.532 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](OCC2CC2)C1 1301578970 LDEUEKZSNUDTSN-GOSISDBHSA-N 433.578 2.280 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1301852385 CUNSFGKYRZPLGK-LJQANCHMSA-N 448.531 2.494 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1302321395 NZNXGOCDWOQGNW-JPZYQRIQSA-N 443.573 2.360 30 10 IEEE CSCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1302800561 GXMBIMQZEZJOJV-MRXNPFEDSA-N 434.953 2.343 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)c(=O)n1C 1304362505 BMWIBXGOOSIVBZ-QGZVFWFLSA-N 434.500 2.009 30 10 IEEE Cc1cccc(OCc2nnc(N(CCC#N)CC3CC3)n2CC(=O)N2CCOCC2)c1 1304503396 DGTOBQAUSWTDQY-UHFFFAOYSA-N 438.532 2.154 30 10 IEEE CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1313956119 AIYKWVDDSMJMQX-JOCHJYFZSA-N 437.592 2.318 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1314638441 DFRWBHMLZVAEKH-UHFFFAOYSA-N 448.506 2.156 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1314818367 CARUMUJJUONHTH-VQTJNVASSA-N 441.532 2.192 30 10 IEEE CO[C@]1(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1315280723 CATJURPIYZZVGM-QHCPKHFHSA-N 435.532 2.453 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC2(C1)OCCO2 1316101044 BXOPDGDGEAAFIG-LJQANCHMSA-N 443.552 2.049 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@H](C)C1 1358949403 AUYFQENTJGVKSC-SQNIBIBYSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1358962234 MNTYTEAGCSASID-DLBZAZTESA-N 449.602 2.268 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CN(CC(C)C)CCO1 1358979612 RTUAEEUZLXQOQG-REWPJTCUSA-N 449.555 2.220 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1358998942 XYHWMHGJPODPBD-HDICACEKSA-N 442.564 2.038 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359035240 OXEBIDFASCRRLH-OFNKIYASSA-N 427.549 2.392 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1359066748 NLTWZLQBBZYROP-MRXNPFEDSA-N 433.339 2.333 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359126134 GRIIQJWJYVRSEB-UHFFFAOYSA-N 431.459 2.357 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359136504 KNKBARMEQTUZHI-SFHVURJKSA-N 441.532 2.269 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCC(C)(C)C2)CC1 1359173563 IWZUZPNMSXAJPO-KRWDZBQOSA-N 438.642 2.413 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359219246 KMVBMCBKFXVYAD-FQEVSTJZSA-N 449.602 2.251 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1COCCO1 1359279157 VSKWEWBANXMKRF-AWEZNQCLSA-N 426.315 2.090 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359287037 ILNSQYMCMJESSX-KRWDZBQOSA-N 430.553 2.390 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nnc1C(C)(C)C 1359305668 JUNIDXSSUITRNI-UHFFFAOYSA-N 440.596 2.426 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)COC)C1 1359319444 ZOTNGDUJIFOQQG-IRXDYDNUSA-N 438.532 2.256 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)C1 1452492229 VFCLSIGAQFMXER-SBHAEUEKSA-N 433.430 2.406 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CO[C@H]3c3ccccc3)CC2)cc1 1456776948 OSUJRARNHFCDRW-RTWAWAEBSA-N 425.510 2.215 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1471983701 GESFEGQIDOXCFJ-LJQANCHMSA-N 449.511 2.144 30 10 IEEE Cc1cc2c(N3CC(NC(=O)CCC(=O)N(CCC#N)c4ccccc4)C3)nccn2n1 1472391919 ZXUDQKHLECUNHU-UHFFFAOYSA-N 431.500 2.070 30 10 IEEE C[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1494014968 CZGSFGAQAJYRQB-BFQBXFRASA-N 436.516 2.272 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2occc2C)C1 1502468927 IETFGFQXEAPFDS-SFHVURJKSA-N 440.529 2.285 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1504749715 PAHYMVIABAWJSB-CVDCTZTESA-N 435.532 2.332 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1507521250 WIICTYIHYNIGSP-LBPRGKRZSA-N 440.367 2.081 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1507561490 QKVLDASTWHYMGX-HZPDHXFCSA-N 427.509 2.117 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1507564237 NGHSGFRDSTUPJH-FXAWDEMLSA-N 443.573 2.496 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCCC1 1507652672 MAJGAPNJGTXDGU-UHFFFAOYSA-N 428.533 2.438 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@@H](C)CC 1507686911 IKEYGHIKYZPICN-KRWDZBQOSA-N 431.610 2.428 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCCCO1 1508080795 QUSOXQIGTCEIQU-FQEVSTJZSA-N 435.532 2.438 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C(C)C 1508091104 LPGAPBBCKVYUFY-MRXNPFEDSA-N 436.557 2.123 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCCCCO)n1 1511129334 RYOQUPKREMKDCC-GOSISDBHSA-N 447.547 2.188 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1516732981 LTWIOLUBENPXMZ-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1518834558 TZGZLJKMZQIIPM-INIZCTEOSA-N 435.488 2.091 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccoc2)CCO1 1521121130 HPAIXOBRWOBDRC-KRWDZBQOSA-N 426.864 2.232 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1528153307 FOGVEDJRCQUHQP-LJQANCHMSA-N 432.929 2.392 30 10 IEEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1538931769 QISAYFUNFVDPGW-QGZVFWFLSA-N 427.844 2.460 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3nnc(C(C)C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1539140624 PWRBOFOBDGHVQW-HTAPYJJXSA-N 444.536 2.428 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1539265499 GZFCHGTYBDFEHW-OAHLLOKOSA-N 441.538 2.018 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1539359636 MMCJCUNJQYGLOZ-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1539370334 VIBQAVXEKBQDIV-KNQAVFIVSA-N 438.576 2.276 30 10 IEEE C=C(C)COCCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@]1(OCC)CCOC1 1539759321 GTVRSYKSEAEQNG-QFIPXVFZSA-N 429.521 2.186 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540752993 SPVFCPAKCSFBQO-QZTJIDSGSA-N 437.585 2.023 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)C)CC1 1540875145 CIROMJXEVGVBLA-UHFFFAOYSA-N 442.564 2.088 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](COC(C)C)C3)n2Cc2ccc(C#N)o2)CCOC1 1547925046 XMXSMBYZFPLTSZ-SIKLNZKXSA-N 445.520 2.073 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1548045802 FUQBSOFYYVCCHL-QQMHEVNUSA-N 440.504 2.378 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCn2cc(C)nc21 1554470447 VNRIGVQCNWUFRV-LJQANCHMSA-N 432.532 2.472 30 10 IEEE Cn1cc(CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)c(-c2ccc(C#N)cc2)n1 1556162752 DCZAHDGWLMVPMQ-UHFFFAOYSA-N 444.426 2.076 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(OC(F)F)cc1F 1557963984 NBJWREWDQTXNDK-LLVKDONJSA-N 427.404 2.282 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](CO)[C@H]2CO)n(Cc2ccc(F)cc2)c1C 1560037774 WBHKNJJHQBFTPL-GHTZIAJQSA-N 428.508 2.168 30 10 IEEE CN(CC(=O)NCc1ccco1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1565599567 CNSHIHZNTNJMHH-JXORXQGFSA-N 430.505 2.141 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCNC(=O)[C@H]3c3ccccc3)C2)C1 1584531302 VKFOKHZWIXSYRA-GIIQAUJJSA-N 438.528 2.473 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1586376912 BFJARUVGFVLAMQ-INIZCTEOSA-N 430.482 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1587662817 QWTXTZRCYSTKHZ-APWZRJJASA-N 437.523 2.081 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ncnn1CC(F)F 1587869713 RLIREOBCKOPZRI-UHFFFAOYSA-N 439.474 2.423 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C1CCC1 1588314592 KEHFMPFQOJTASW-UHFFFAOYSA-N 433.516 2.360 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1595161555 DPBUFPBBPUMGHJ-UHFFFAOYSA-N 438.557 2.377 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1595556378 SXCNISXFCKXAGJ-CQSZACIVSA-N 431.928 2.046 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC(C)(C)C2)C1 1595744141 KLBCREREOZLPIX-IBGZPJMESA-N 430.597 2.304 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)s1 1596976467 QYWKBPPYFVXECU-UHFFFAOYSA-N 443.591 2.224 30 10 IEEE C#CCOCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1608104472 MNNHFXGLQYGJOW-UHFFFAOYSA-N 430.526 2.238 30 10 IEEE CC1=C(C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1611835439 RGEPCYYDVQYVGI-RWNPKEDZSA-N 426.521 2.245 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nc(C)no1 1613828046 FZPHOYKGFVPYTL-GOSISDBHSA-N 437.504 2.473 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(C)cc2)N(C)[C@H]1C 1613902914 GVJJTLHLJYQCKY-VVHMEEEESA-N 426.560 2.430 30 10 IEEE COC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1619731169 SMLPCIYTRJBSFE-XWFZLUIHSA-N 445.520 2.072 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1623573769 TUPJQEKHFRVYRW-MDZDMXLPSA-N 431.514 2.262 30 10 IEEE CN(CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1ccc(Br)cc1 1624816986 MSPUDANGJISNKU-QGZVFWFLSA-N 448.342 2.225 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C2)C1 1628226943 AHQWZDYRVFTNFK-FSTYKVKCSA-N 432.565 2.096 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(c3cc(CC)ncn3)CC2)c1 1630829098 FNWWDQGEJWJWRK-UHFFFAOYSA-N 426.542 2.235 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1631336378 VBTFNCBRSNIKLR-CVDCTZTESA-N 428.533 2.357 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)cn3ncnc23)[C@@H](C#N)C1 1635213492 DQBFVAMLXPGPQX-LBPRGKRZSA-N 435.282 2.077 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636141299 AVEIHRRKVXMNIE-GOSISDBHSA-N 432.521 2.388 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CN(C(=O)OC(C)(C)C)C1 1642058648 GVOQIMQXFYJYPX-INIZCTEOSA-N 441.594 2.120 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@](C)(Cn3cnc4ccccc43)C(=O)OC)cc2C1=O 1647885607 VRFNNQMXEZMEIK-XMMPIXPASA-N 446.463 2.180 30 10 IEEE CCOC(=O)c1nnn(C2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1C(F)F 1647985391 AVUYSXJQRHEYTQ-RNODOKPDSA-N 440.495 2.472 30 10 IEEE Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1648790533 LWIFLOJHFLSBTN-UHFFFAOYSA-N 429.436 2.078 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 1650951420 CZMOVVONRJWIRX-AWEZNQCLSA-N 428.348 2.236 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)c1ccc(Br)cc1 1664132750 AFKIWXCUCGBTTM-QGZVFWFLSA-N 439.379 2.477 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1670992813 BRXNUMNMMISUTK-UHFFFAOYSA-N 429.498 2.002 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1682701716 FNXJIXABPJZBFN-KSZLIROESA-N 438.569 2.315 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C(N)=O)nc1 1689824317 MPJMYAHDZABRKJ-MRXNPFEDSA-N 431.500 2.147 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1689901689 OQNCVLNJVKILCV-ZWKOTPCHSA-N 443.573 2.457 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N(C)C)CCSC1 1690063586 IPLAZEYLZPSEME-NRFANRHFSA-N 447.630 2.245 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1690104701 GAZKQFXSNZCVJS-SFHVURJKSA-N 436.482 2.234 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCC2)CC1 1690116030 ZUUZHNVOLKSIOK-UHFFFAOYSA-N 436.379 2.439 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690264651 ZQFBDLNRTOSXTQ-SFTDATJTSA-N 438.576 2.247 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690509640 CIAWPCBKZJQKRI-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690673140 PFMFTVZMXQJUAO-SBUREZEXSA-N 443.523 2.085 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1693876118 HHXPGHVWOWXOFY-YYFZDKIDSA-N 449.964 2.492 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1695031284 GQUCPAPMGMGBEF-SJORKVTESA-N 426.521 2.428 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696740657 ALCVYXPAZGLWLT-SCQYRGFBSA-N 440.548 2.491 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1696893515 ROMUOPFGEPGHTP-MJGOQNOKSA-N 432.532 2.194 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1697190728 AVJITVZFMBAEFA-QFBILLFUSA-N 426.521 2.067 30 10 IEEE COc1ccc(O[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697472357 DXGYCYVNIHJNAH-UWJYYQICSA-N 434.500 2.469 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)COCCO1 1697611724 DVSVTAIIIFWNEM-RTWAWAEBSA-N 431.468 2.113 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCN(C(C)C)CC1 1705487150 STJMGPDWSCGAKT-GOSISDBHSA-N 439.560 2.410 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705563566 ZZUOPBSHEVOWFM-KNQAVFIVSA-N 430.574 2.295 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1705785062 UHSJDOMPXQLVKY-QHCPKHFHSA-N 427.549 2.335 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1)C1CC1 1705849864 YMCVGWBNEVJBCH-OAHLLOKOSA-N 433.578 2.319 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1)C1CC1 1705858883 ZCMJZGMCXGQENG-UHFFFAOYSA-N 443.573 2.148 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC=CO2)C1 1706177361 AWHJXNBMMDVMSV-XWTMOSNGSA-N 444.536 2.470 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1706820256 CBDVIDKPUAAAOT-FOIQADDNSA-N 433.919 2.404 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCS(=O)(=O)N1CCSCC1 1711085386 FMJGYTQVKHHOQL-UHFFFAOYSA-N 446.602 2.042 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2COCCO2)CCO1 1712883528 RCSWTMLWWVQVHG-SJORKVTESA-N 435.431 2.081 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1722347088 YYYHLAJOEHOWBN-UHFFFAOYSA-N 446.284 2.069 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359766 AUONFMAJYPQCSF-SFHVURJKSA-N 443.573 2.316 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](F)COC 1722381799 UCLLMXNXUGTZBO-ZWKOTPCHSA-N 433.528 2.450 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCCC2)CC1 1722435022 ACVAQJLZXOVEOW-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722435820 ULLYLCFBFIDPSK-UHFFFAOYSA-N 438.551 2.488 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCCCC2)CC1 1722439159 REZGLAVGCLOYJE-UHFFFAOYSA-N 438.551 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1722446313 ROABHYAHBJNUSK-JOCHJYFZSA-N 449.603 2.426 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1722518205 WYWMEUSEQCMFCX-DBXWQHBBSA-N 438.594 2.311 30 10 IEEE CC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722854835 AESMTKROYGKPDG-QFIPXVFZSA-N 445.527 2.240 30 10 IEEE CC(C)(C)Cc1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722959394 FEUJINCVSJYEIN-HNENSFHCSA-N 428.537 2.152 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1C(F)(F)C12CCC2 1723942384 KSMNKNLCZUOAJH-VBQJREDUSA-N 442.536 2.454 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)cc1Br 1724322778 MCFUYLNBIVCZKC-HOTGVXAUSA-N 448.321 2.160 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CCCO1 1726660097 BGYKHULUBVTHOU-OAHLLOKOSA-N 441.513 2.477 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1729451762 AVNBKGWTCPEAAC-UHFFFAOYSA-N 428.447 2.387 30 10 IEEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)n1 1729591271 SJOYCYDEEUJJIA-OAHLLOKOSA-N 428.447 2.387 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740572319 IBHXMCZCFADCHW-QGZVFWFLSA-N 430.530 2.143 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1740658184 DQGJTEDYIHRLPP-UHFFFAOYSA-N 432.528 2.354 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1740715446 JGRJGPHWCKMUII-DOTOQJQBSA-N 445.593 2.394 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740850151 FESTUMPESPKNLH-KRWDZBQOSA-N 428.581 2.498 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccccc1F 1740951871 PGOKWKFYHSLLEH-UHFFFAOYSA-N 437.479 2.046 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)CC1CCOCC1 1740989042 YJGKJNZFLQRTNL-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C1CCN(CCC)CC1 1740989195 DPQQXFXSLXMODK-UHFFFAOYSA-N 432.594 2.252 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1741003727 BUJJLKXANLBWQI-FQEVSTJZSA-N 433.603 2.198 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCSCC1 1748776823 RDUQYOCRNWRVBN-UHFFFAOYSA-N 431.562 2.089 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1748809168 KCHXUGDLPUXCCA-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC1CC1 1748868652 CTOVNPXPRPXSKM-UHFFFAOYSA-N 429.322 2.025 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCc2c[nH]nc2C)CC1 1748994737 PJORCLIISWPBGH-UHFFFAOYSA-N 447.587 2.491 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749064414 UZZJTHOMVJLZMD-HYBUGGRVSA-N 435.576 2.275 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1749225294 DDFVSFMVGIVGDL-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE COCc1nocc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1749462807 RGGVBTYCUKHUOD-CQSZACIVSA-N 430.415 2.059 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1749486813 IAQUPSLGQTZJDT-AOMKIAJQSA-N 432.569 2.493 30 10 IEEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1749516892 HWYUOUHUVDWORE-KRWDZBQOSA-N 431.562 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](COC(C)C)C1 1749724814 NLOHATJLGKYHCL-KRWDZBQOSA-N 438.550 2.078 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1751090335 BCMYZGPZESWRGL-LMMKCTJWSA-N 443.577 2.283 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1760133731 NSXHWHBXOAFWPX-LJQANCHMSA-N 441.532 2.107 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159484 HYZIFYKCWMPAIP-QHCPKHFHSA-N 444.580 2.070 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1760253566 GAHOWYWTRUQSJD-GOSISDBHSA-N 429.590 2.193 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCC(F)F)CC1 1760263455 BSPYXCMLKNNRAJ-SJLPKXTDSA-N 425.524 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2cccc(C)n2)CC1 1760268894 ZDIGJYKUZVZVQT-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@@H]1CC 1760353564 WNMXAJSWBMQLJK-KRWDZBQOSA-N 427.505 2.024 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)CC1 1760452326 LFHNZNQSMGDCLY-UHFFFAOYSA-N 430.597 2.448 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1760453949 PTZNUQRHEYQAAI-UHFFFAOYSA-N 433.516 2.433 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(=O)NC 1760502059 MKHPMKSGVMHFJG-UHFFFAOYSA-N 439.358 2.447 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccn(C)n1 1760502384 XKCXMUJBSVDXMR-UHFFFAOYSA-N 434.342 2.467 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1760534210 STVHZDZQPBHVMX-HOTGVXAUSA-N 444.502 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)C1 1760549279 ATQZPEOOTPIERC-GHTZIAJQSA-N 434.924 2.443 30 10 IEEE CC(C)(CN1CCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1760812028 HFOVWPGHGQPAET-JOCHJYFZSA-N 440.527 2.489 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H](C)C#N 1766726378 CGFOCFDXWXXEQZ-HNNXBMFYSA-N 443.533 2.135 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCOCC(F)(F)C(F)F 1767960268 XDSJFFJALSWHCS-JTQLQIEISA-N 438.344 2.499 30 10 IEEE COCc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769358140 MPNCSYHTQNJRRM-REWPJTCUSA-N 441.532 2.242 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1769566528 DTDKJLQVNSWLAO-UGKGYDQZSA-N 437.592 2.456 30 10 IEEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1770163986 JMHFVEGCQGZMEM-UHFFFAOYSA-N 437.504 2.387 30 10 IEEE COCCN(C)CCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1771077460 XBOARKDAGNVKPK-VSKRKVRLSA-N 438.576 2.494 30 10 IEEE N#Cc1c(NC(=O)CN2CCN(Cc3cnnn3-c3ccccc3)CC2)sc2c1CCC2 1850692922 FEULWYBCHSBNDE-UHFFFAOYSA-N 447.568 2.445 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 1853219162 QIBFTDFDBFEWJI-OAQYLSRUSA-N 448.523 2.285 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)CCc3ccccc3)CC2=O)c1 1854004915 JUDHQLROIUSGDL-UHFFFAOYSA-N 445.928 2.263 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)c(Cl)c2)C(=O)C12CCCC2 1854428762 HIKGELJNDSMQJD-UHFFFAOYSA-N 441.912 2.249 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@H]2C)cc1Cl 1854674611 FMKVUIFMMGEUBF-CYBMUJFWSA-N 447.900 2.282 30 10 IEEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1 1855718466 UIKSLTNKGCJNNT-HNNXBMFYSA-N 427.482 2.019 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)OC1=O 1856210847 KWDPYQBQOOCZCQ-CQSZACIVSA-N 445.419 2.367 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(SCC)cc2)C1)[C@H]1CCN(C)C1=O 1857285814 WGWCJDOEAASRKA-QUCCMNQESA-N 429.586 2.435 30 10 IEEE COc1cccc2c1OC[C@H](C(=O)N1CCN(Cc3ccc(C#N)s3)[C@H](C)C1=O)C2 1857506141 LQJXNBMSFGESLZ-GDBMZVCRSA-N 425.510 2.439 30 10 IEEE CCn1cc(C(=O)Nc2ccc(C(=O)NCC(=O)Nc3ccc(C#N)cc3)cc2)ccc1=O 1860915957 QEYBFCBXVRDUDI-UHFFFAOYSA-N 443.463 2.361 30 10 IEEE C=CCNC(=O)[C@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861509598 WDYGNRBBISRUOG-SFHVURJKSA-N 449.463 2.022 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862609881 XCAPEPWTJCHXCO-YUNKPMOVSA-N 441.436 2.131 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1C(=O)O 1862757533 IPPADADKPIPXLQ-APPDUMDISA-N 426.381 2.252 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868782337 HJWBMDGUYAVUSM-FPOVZHCZSA-N 446.617 2.396 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869035847 HVBRLENSPFPGBH-NRFANRHFSA-N 441.553 2.184 30 10 IEEE COc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)c1 1870142521 FOOIRIURVGDXPE-UHFFFAOYSA-N 430.424 2.404 30 10 IEEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nnnn1C 1870233187 FGJOOCVUNIAGLW-UHFFFAOYSA-N 426.502 2.151 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN1CCN(C)CC1 1870399424 NOYFKSINHVTPAY-UHFFFAOYSA-N 438.528 2.002 30 10 IEEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(N3CCN(C)CC3)ncnc21 1873561589 RDVAZNOYTVGJIM-UHFFFAOYSA-N 434.544 2.004 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874280185 METGWTFLGPBVGK-LTNVFZTJSA-N 445.545 2.447 30 10 IEEE COc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCC(N)=O)cc1OC 1874374992 YSRAKGXLNOLDFJ-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(O)cc1 1874431469 SXPSCNVOIZZLPU-AUEPDCJTSA-N 442.476 2.372 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874498639 AYCRQWVQBFXDFG-QGMBQPNBSA-N 433.475 2.402 30 10 IEEE C=C(I)C[S@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1881442043 JEAGRHOYZWKLQJ-IPQOISQHSA-N 437.255 2.063 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(COc3cccnc3C#N)C2)cc1 1891897402 XMSLKQOUWQMSQX-UHFFFAOYSA-N 428.514 2.135 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2052659221 VTQAYUPKZUXDJG-USXIJHARSA-N 436.358 2.333 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640627 WXQIGMRRLUNARD-CFVMTHIKSA-N 432.330 2.264 30 10 IEEE C[C@@H]1OCCO[C@@H]1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172780140 MIMUISAPSBKVHR-SWLSCSKDSA-N 427.148 2.383 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2224138645 CTRKDCCZLJHQRT-DOTOQJQBSA-N 433.358 2.093 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2247931492 YYWLVSCBIGSSFA-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255594914 FYRXCPULCYYYIX-OKILXGFUSA-N 434.346 2.275 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255609012 DIMPXDUHSMBAOV-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627481 UCWCZFXYBCCAAP-NRFANRHFSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255810208 AMAOXPTUSNKSJP-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255876080 AICIXKWLXBKZLW-UHFFFAOYSA-N 433.314 2.005 30 10 IEEE CC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CN(C(=O)OC(C)(C)C)C1 2255954444 YYBKFRBNZDDBIC-UHFFFAOYSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2256676440 OYNKSZJCVCDCIO-RPYGNYITSA-N 436.358 2.489 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2257487275 XDVVNRIGJUHKMF-HOTGVXAUSA-N 431.342 2.475 30 10 IEEE Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266989593 HDHFZOAVTQVRHH-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267137151 OVHSTQISNHPJQN-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550668 CITKLLHJZUHMLJ-HZPDHXFCSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267811906 SXUZKMDQMBHVJQ-CYBMUJFWSA-N 448.325 2.136 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268652641 VPGYYYPWCAWICT-RCDICMHDSA-N 447.341 2.249 30 10 IEEE C=CC1(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2300334186 PASMYXNZAIGPJA-UHFFFAOYSA-N 435.355 2.348 30 10 IEEE COc1[nH]c(=NCCC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501731 OFBMGGOJLLMWJX-UHFFFAOYSA-N 433.358 2.480 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(C1)[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)CO2 2319949858 KUIQUSDQEJLACC-BXFSZVDSSA-N 434.342 2.057 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(F)cc1 2330770120 OKHVIKDGMZWSPJ-UHFFFAOYSA-N 432.525 2.477 30 10 IEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2342644859 FXFCGLZLDRRDTE-UHFFFAOYSA-N 449.357 2.329 30 10 IEEE N#Cc1ccc(OCC(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1 13705825 NUAVNORQSDZFPC-UHFFFAOYSA-N 432.415 2.376 30 10 IEEE C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925032 QKHGMQCGNPGBAU-MRXNPFEDSA-N 446.960 2.223 30 10 IEEE C#CCN1C(=O)[C@]2(N[C@@H](CC(C)C)[C@@H]3C(=O)N(c4nccs4)C(=O)[C@H]32)c2ccccc21 59256584 ZXAFZSVPNLISFZ-YWYGCRHHSA-N 434.521 2.142 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 460385021 HQDLEOMBAAUXBJ-HXUWFJFHSA-N 441.532 2.190 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)c1C#N 461197683 PKGYOSMAPMXCGH-AWEZNQCLSA-N 431.468 2.303 30 10 IEEE C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](c2ccccc2)O1 492517688 YMPWKKYKWRKCBW-JXFKEZNVSA-N 430.468 2.125 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 508825920 LYUVGZQYOMGRFP-UHFFFAOYSA-N 426.565 2.413 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C#N 515662376 QHIYQSYVILDVRN-UHFFFAOYSA-N 428.517 2.108 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1 524714349 AYEKHXKEIILUAD-UHFFFAOYSA-N 432.484 2.113 30 10 IEEE COc1ccc(C[C@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1OC 525595019 UFHYTBZUQYDLEH-HNNXBMFYSA-N 431.514 2.257 30 10 IEEE COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)CC2 542965120 XMQKEHNHDMROFI-AWEZNQCLSA-N 426.868 2.272 30 10 IEEE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544831669 IHTFQDGHKREDPN-QFIPXVFZSA-N 444.539 2.467 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(C#N)c(OC)c3)C2=O)c(OC)c1 555159991 AMDHYDBXEMURSU-IBGZPJMESA-N 438.484 2.184 30 10 IEEE Cc1ccccc1CN1CCC(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 574849572 HGLPUECABSYVQW-UHFFFAOYSA-N 432.572 2.165 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)cn1C 584263610 FNSKWQICWNYNIB-UHFFFAOYSA-N 427.452 2.126 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccccc1C 590943531 JWCUYJMKGPMQDA-UHFFFAOYSA-N 433.533 2.245 30 10 IEEE CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 730309944 KCJMAWPORORDEQ-QGZVFWFLSA-N 444.513 2.411 30 10 IEEE COc1ccc(N2CCN(CCCNC(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 743657030 IYCGNXMCAXXVBV-UHFFFAOYSA-N 437.544 2.457 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 747375143 IPXOPXASFJCKKV-SPGGGKMGSA-N 438.575 2.140 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@@H]2CCOC2)C1 752848072 HHFJMCQNGIYVRE-UWJYYQICSA-N 428.468 2.183 30 10 IEEE C[C@@H](C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCOCC1 756413742 MFPANWGQNZKILE-OAHLLOKOSA-N 442.472 2.061 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CN(C)C)C(=O)O 757426996 BCJAMDBBDWLUEO-FCHUYYIVSA-N 449.507 2.048 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2=O)cc1 765038473 UTONNLXPAOCCMK-MRXNPFEDSA-N 440.525 2.058 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 774024651 VXBHNGXZSMNWTG-HNNXBMFYSA-N 445.463 2.196 30 10 IEEE C#CCN(C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 774338754 AWZNDZFELRNPQD-XOKHGSTOSA-N 443.363 2.357 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC)C3)ccc2c1=O 775376257 ZOAYBMAZQHGYNX-HIFRSBDPSA-N 430.530 2.468 30 10 IEEE CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 775941926 FGDBFMUSRZCGGI-CWJYSFMFSA-N 435.480 2.347 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 777364320 INSNXRHJZRIBPZ-MRXNPFEDSA-N 443.566 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1 778447254 NWFSYZHDMXENDX-UHFFFAOYSA-N 428.533 2.297 30 10 IEEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)cn2)c1 780449732 IQMAIYHXQGSMHH-UHFFFAOYSA-N 447.480 2.060 30 10 IEEE Cc1cccc([C@H]2CC(=O)N(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)c1 783977559 YJKGJJNGLRGHNS-NRFANRHFSA-N 438.553 2.147 30 10 IEEE Cn1cc(C=Nn2c(-c3cccc(S(C)(=O)=O)c3)csc2=NC[C@H]2CCCO2)cn1 789967909 IVZGTXXVPYLUJZ-QGZVFWFLSA-N 445.570 2.316 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccnc2F)C1=O 794426637 KFYFROQWPNWSRS-KRWDZBQOSA-N 429.521 2.420 30 10 IEEE C#C[C@@H](c1ccc(F)cc1)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 812221170 GTUUEGJFFZPVMX-ZWKOTPCHSA-N 438.484 2.367 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(C(=O)OC)c2ccc(F)cc2)ccc1F 813317662 BTJSWPNLHRROFF-FQEVSTJZSA-N 438.452 2.247 30 10 IEEE C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1c2ccccc2CC[C@@H]1C 913173406 BKPJBOVWHVRSKL-HOTGVXAUSA-N 441.509 2.136 30 10 IEEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cn1c(O)nc2ccccc2c1=O 916902122 DLVIZOMOHPGLBN-CYBMUJFWSA-N 440.843 2.420 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(S(C)(=O)=O)cc2)C1=O 920825851 JXSKTWQISZLVBB-KRWDZBQOSA-N 449.529 2.497 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)C1=O 1128091604 SLBVTQGKZZGPLV-UHFFFAOYSA-N 433.346 2.078 30 10 IEEE Cc1cccc(CN2CCO[C@H](CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)c1 1132371253 CPSVFRXFELDKSD-JTHBVZDNSA-N 432.524 2.237 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1134468859 VHOWQOCBXOHWMA-HNNXBMFYSA-N 445.522 2.215 30 10 IEEE COc1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 1134490468 ODDGSSWMJOVIEU-MRUHUIDDSA-N 435.546 2.116 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cn1 1135789891 DGVYUBPZBFQABD-UHFFFAOYSA-N 447.417 2.177 30 10 IEEE C=C[C@@H](C)ONC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1144582318 HCPRZOPFBRUYIG-RISCZKNCSA-N 437.381 2.471 30 10 IEEE C#C[C@H]1COCCN1C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1161393776 UNLUNFLWZXGFQR-BBWFWOEESA-N 426.542 2.196 30 10 IEEE N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(I)cn2)CC1 1163868377 XPLSNKHWZLFHDM-UHFFFAOYSA-N 436.213 2.188 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C[C@H](O)c1ccc(C#N)cc1 1171840075 AIMVIUGQKKAGHO-ULQDDVLXSA-N 441.450 2.445 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 1175202042 ANQKKUDFRYBISA-INIZCTEOSA-N 440.573 2.455 30 10 IEEE CC(=O)N(c1ccc(F)cc1)c1nc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1176709504 IAQISNCUJYSRAE-IFXJQAMLSA-N 434.518 2.337 30 10 IEEE CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c(F)c1 1205400343 ARPVBWDMOHMUPM-UHFFFAOYSA-N 426.470 2.288 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)CC 1286272700 CLSWBVSCFWBKPZ-ZDUSSCGKSA-N 440.367 2.105 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1286415742 FZHOXTLOTRJFKJ-ZWKOTPCHSA-N 426.542 2.192 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1286564596 GWWWHBNIPCBBBS-RXVVDRJESA-N 441.557 2.279 30 10 IEEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286701979 CSWQBTDMGCGUHG-UHFFFAOYSA-N 426.496 2.495 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286785698 QGLPQLANVXRAFO-UHFFFAOYSA-N 446.511 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286816527 FXWQCKMXQSDVNL-IRXDYDNUSA-N 426.583 2.167 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1288976706 CKWDILAZQYBKAJ-DYESRHJHSA-N 443.577 2.207 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)CCO2)cc1 1289350136 VNYIYLPDONRIJA-QFIPXVFZSA-N 439.537 2.002 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCOC1 1296540716 VMWWVYZKIICOCP-NFBKMPQASA-N 441.532 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1300291221 SOQHNEFZVRXMFK-HOTGVXAUSA-N 432.546 2.245 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300497555 ZYQMXONZMUSIKB-QZTJIDSGSA-N 436.578 2.106 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)CN(C)C)CC1 1300721990 FFKAWSHXOXWIAM-IBGZPJMESA-N 430.597 2.073 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1300755300 QOHSYQIZOQSFNO-UHFFFAOYSA-N 440.558 2.392 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1300755593 YCTYQHYFJHHQGN-UHFFFAOYSA-N 438.557 2.088 30 10 IEEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1301056566 NIYYUEKDCLORCL-MRXNPFEDSA-N 449.556 2.353 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCS(=O)(=O)CC1 1301420419 AFGXXKNXGZAPHB-UHFFFAOYSA-N 448.545 2.137 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1301506059 GITMQXJTNLUMQI-FQEVSTJZSA-N 439.560 2.433 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC2)C1 1301534455 BELZSEVITFYUHO-SFHVURJKSA-N 425.537 2.193 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC)c2)C1 1301565473 CONKEUSKTGCLIL-HXUWFJFHSA-N 425.533 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1301567722 KZQCKJPXBLYTCQ-MSOLQXFVSA-N 435.594 2.131 30 10 IEEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1302543353 GWUKVMURGJGITF-OAHLLOKOSA-N 448.618 2.428 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 1302619303 ZWJSUHKZHXFREA-HXUWFJFHSA-N 431.514 2.058 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1302721775 HIURQXRIJWCXSY-UDJKBAMHSA-N 441.561 2.444 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C[C@@H]1F 1302862986 VGHWBGXZDFWJLW-BEFAXECRSA-N 447.536 2.348 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC2CCOCC2)c1 1302985910 CYHHXIRBBHBNEX-UHFFFAOYSA-N 438.532 2.104 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1303635273 CVNZTAGEAHVENF-JKSUJKDBSA-N 443.556 2.308 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](CC)OC 1305758100 AWLBHLRITFMXKF-QGZVFWFLSA-N 441.536 2.156 30 10 IEEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1306761470 WUNJWIPEINBEJN-KRWDZBQOSA-N 446.577 2.104 30 10 IEEE C#C[C@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1310075518 PAZIUDVBVBCMSJ-OAQYLSRUSA-N 436.578 2.477 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1313467871 CORYKWZFCWJPRH-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1313491560 CDRTZYPCEMZXRZ-HXUWFJFHSA-N 431.500 2.316 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)cc1OC 1314175168 CWUFTHXGYWCRFX-OAQYLSRUSA-N 440.483 2.476 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(C2CC2)C1 1314522111 DTAXLUYXXNXCSD-SFHVURJKSA-N 442.589 2.172 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1315534502 KALBERPREUQEPW-XZOQPEGZSA-N 438.532 2.474 30 10 IEEE COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316105828 MSNFVCLSIPRINS-UHFFFAOYSA-N 444.293 2.217 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1316192504 ZLSFPNJYVRWKDD-OSZJIOELSA-N 433.553 2.470 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)N(C)C 1316213612 QYQRDWSYOSOXFP-UEXGIBASSA-N 442.564 2.402 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC(F)F)c1 1358870931 WVVPKWBTVSOZKH-ZDUSSCGKSA-N 427.415 2.428 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)C)CC1 1358926974 IMWIRBJMNKWPQZ-UHFFFAOYSA-N 429.594 2.182 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC)C(C)(C)C)CC1 1359043160 JINWGCCQLCNIKP-IBGZPJMESA-N 426.565 2.311 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359052505 HRUQLOWHUGFCKG-JKSUJKDBSA-N 430.965 2.417 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(Cc2cc(C)on2)CC1 1359106030 WUGPYDPMYCFWNW-NQIIRXRSSA-N 430.553 2.414 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359183084 COWYWELKQBTZKG-BBWFWOEESA-N 425.599 2.496 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359214732 KSUMAROIBSBRSR-SFHVURJKSA-N 426.521 2.496 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1359265566 ICGLPRKWANFRMD-UXHICEINSA-N 427.597 2.410 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC(N)=O 1359294142 LRQZZIVXNWPSDU-KBPBESRZSA-N 430.578 2.134 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(N)=O)c2)C1 1359318740 LBNVAWMMVAKGEA-FQEVSTJZSA-N 448.527 2.342 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(N)=O)CC1 1359344546 BDOGUOPJMIAWFX-UHFFFAOYSA-N 425.562 2.138 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1359472159 GZTQGSWQNHLVHX-IAGOWNOFSA-N 447.584 2.467 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1360478303 HWIKFYQYZSPGOM-OAHLLOKOSA-N 436.969 2.296 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(Cl)c1 1360680451 BWUDAEHIHYLYAV-YVEFUNNKSA-N 426.905 2.032 30 10 IEEE Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1360985943 PHPKYXMFSDIZDG-SFHVURJKSA-N 447.499 2.434 30 10 IEEE CCCc1c(NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)cnn1-c1cccc(C#N)c1 1447956515 GCDSNQBWUYJTTL-NRFANRHFSA-N 449.486 2.494 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)C1 1455701348 COTCURXOTZIWGS-QAPCUYQASA-N 448.361 2.131 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1458210586 DKDGNFGIVWAHCO-UHFFFAOYSA-N 427.523 2.120 30 10 IEEE CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2CC#N)CC1 1462851709 IFVXKEFZXPNVMA-NRFANRHFSA-N 438.553 2.037 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 1463569050 BJCIRQADTLCFIK-UHFFFAOYSA-N 434.539 2.295 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(F)(F)F 1503954238 IHEMOJOCZNTDRF-BBRMVZONSA-N 436.438 2.451 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)C 1507514287 PZTFUAAXUCGYGP-OAHLLOKOSA-N 430.940 2.092 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1507588917 SDLCVWTWIYJYSI-LPHOPBHVSA-N 432.521 2.311 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507630277 VZAMLIRKIRVVCV-UGKGYDQZSA-N 439.541 2.013 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1507679456 NABXRBWXOWUZCO-LBPRGKRZSA-N 429.468 2.008 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507731666 OBEOADGZVMFVDV-RBUKOAKNSA-N 446.596 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CC)CC1 1507735241 PIJOLMJXPRJURU-QFIPXVFZSA-N 445.571 2.267 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507753536 MAWWWHRGXBGCKK-MJGOQNOKSA-N 427.549 2.337 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccn2)CC1 1507848410 KJTYDMXEQGYARL-FPOVZHCZSA-N 442.564 2.316 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1508092506 ZKGKTZVVBXWXAY-UHFFFAOYSA-N 444.486 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H]2CC)C1 1508117365 UCFQBBMYEGAXGG-BSDSXHPESA-N 425.599 2.496 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1509735572 DTJKUEIBBDEWLE-WMZHIEFXSA-N 438.532 2.116 30 10 IEEE C#C[C@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)C1CCOCC1 1533500196 GQYZRZYZRILJHZ-SFHVURJKSA-N 431.537 2.317 30 10 IEEE CCCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1snc(C)c1C#N 1538318849 CXVQNPZCTIKLRP-UHFFFAOYSA-N 434.543 2.401 30 10 IEEE CC[C@@H](C#N)N(CC)C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1538447015 DQQIKWDZPHJKCS-INIZCTEOSA-N 429.546 2.307 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)NC 1538975789 DMQZMAURQQZGGD-AWEZNQCLSA-N 444.586 2.384 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1539014697 MXIKDMSTNCIWDK-DLBZAZTESA-N 428.558 2.379 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)Nc1ccccc1 1539290423 HNNPIEICKLPFGY-UHFFFAOYSA-N 441.495 2.417 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1539416635 QRINNVQRYCBSNB-WOJBJXKFSA-N 439.560 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](OC)C2CC2)CC1 1539441054 JPAVIXUAWTYWHM-OAQYLSRUSA-N 425.533 2.143 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1539510690 MWDUIYWOSHILAG-MRXNPFEDSA-N 438.557 2.031 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539636953 NHNGHCMFLRZFMQ-RRPUWOKSSA-N 440.592 2.402 30 10 IEEE N#Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)nc2n1CCOC2 1540003603 RITKQIQORDPKMP-ZDUSSCGKSA-N 433.390 2.291 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 1540398835 KLCAKIKNOXAXBH-BNGSBABLSA-N 442.516 2.351 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cccc(C(=O)N(C)C)c1 1543315898 PCZRCIPWYGETRB-UHFFFAOYSA-N 444.543 2.124 30 10 IEEE COC(=O)c1cn([C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3C#N)C2)nn1 1556099180 JZIDGMZTAFPGRN-OAHLLOKOSA-N 432.278 2.105 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 1557226820 QUAODDMUVYFNLA-GOSISDBHSA-N 441.557 2.495 30 10 IEEE C#CCC1(NC(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CCOCC1 1563997048 JRMNMEKZRILMBO-UHFFFAOYSA-N 443.544 2.240 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CCCOC1 1564544312 GXIIHWJGBAZIHX-QFIPXVFZSA-N 425.489 2.118 30 10 IEEE C=CC[C@]1(C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1567089466 HLAUUIXWKIXVAM-LJQANCHMSA-N 425.507 2.324 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@](C(=O)NC)(C(F)(F)F)C3)ccc2c1=O 1583482023 ZNDOFDPZFPCEFN-SFHVURJKSA-N 440.447 2.012 30 10 IEEE COC(=O)[C@H](c1cccc(OC)c1)N(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1585599461 FSSRGFDQPCVSNZ-IBGZPJMESA-N 426.473 2.452 30 10 IEEE O=C(NCC[S@@](=O)CC(F)(F)F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1587188639 GPUPNLWLTFUOQH-MUUNZHRXSA-N 432.321 2.466 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588040567 ONYVUEKGIGCOBU-IBGZPJMESA-N 446.573 2.396 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1cccc(C)c1 1588560382 PPSPHCFGJJAZAD-LJQANCHMSA-N 425.533 2.376 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)C(C)C)CC1 1588763138 SAXBAWNJYJHMQV-XMMPIXPASA-N 433.560 2.497 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1588811125 AHMCRSWZCPBZTC-MOPGFXCFSA-N 425.533 2.013 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1589185875 LUIBKOQRLGVRQK-OAQYLSRUSA-N 426.546 2.137 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(OC)C1 1589567876 GMURGQFOSNBIEN-QAPCUYQASA-N 431.562 2.476 30 10 IEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1594533702 FKWRUAUXNYUSKM-JYBIWHBTSA-N 447.605 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CC2)C1 1595688851 PTTLTTUDUNRFGV-MRXNPFEDSA-N 430.505 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1595812101 MZJRUXRQMNIBJT-HXUWFJFHSA-N 446.573 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C)(COC)CC1 1595812140 OELBAGVPYSBZFW-UHFFFAOYSA-N 433.578 2.118 30 10 IEEE C=CCn1cc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)nn1 1598181469 GUDMQVVJUQILNT-JOCHJYFZSA-N 427.505 2.455 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)C2)c(F)c1 1606642289 RVBFFSAMQOATFB-ZIAGYGMSSA-N 430.871 2.068 30 10 IEEE C#CCN(C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)C1CCN(C)CC1 1611144692 AZVHLKJKCCTFAF-UHFFFAOYSA-N 427.364 2.331 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1613017596 ALZCGMDCNGSSID-HNNXBMFYSA-N 435.575 2.105 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N=[S@@](C)(=O)N(C)C 1613299371 NTQOXZCWXRBXKZ-MUUNZHRXSA-N 427.527 2.375 30 10 IEEE COc1cccc(-n2c(C)nnc2SCC(=O)NCc2ccc(C(=O)NO)cc2)c1 1618008399 VCEKHXHMONTSAB-UHFFFAOYSA-N 427.486 2.112 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1620356327 WXKUTWFUSDHDDH-MOPGFXCFSA-N 431.924 2.447 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1620359252 USDQXZVOYFLMLF-AWEZNQCLSA-N 435.472 2.237 30 10 IEEE CN1CCC2(CC1)CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO2 1627335735 FPWZLEWUWWGQEZ-WUZYXKQASA-N 432.565 2.096 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1 1633765889 ZOYPDTXOVRSPHA-INIZCTEOSA-N 447.377 2.328 30 10 IEEE CC(C)[C@H](Nc1ncc(Br)cc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1639867681 APSFSTMWHJQEPL-INIZCTEOSA-N 432.326 2.349 30 10 IEEE CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(CC#N)CCC(=O)OC)c2)cc1 1642947213 PLVVEPGSYJVKPN-UHFFFAOYSA-N 445.497 2.415 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(OC(F)F)cc1F 1643719796 KPIPKWUBVHNUJZ-UHFFFAOYSA-N 427.404 2.172 30 10 IEEE O=C(C[C@H](c1ccccc1)N1CCOC1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221151 PSHREXKQVNKQNP-LJQANCHMSA-N 437.452 2.474 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3ccncc3)n2CCOC)c1 1652399170 QDPTXZINAIAANZ-UHFFFAOYSA-N 436.497 2.408 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2coc3c2C(=O)NCC(C)(C)C3)c(=O)c1C#N 1654531545 YGAMINBYCCHKMY-UHFFFAOYSA-N 447.289 2.388 30 10 IEEE CNS(=O)(=O)C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 1655230862 YMLAZVWJWRRSEM-GJZGRUSLSA-N 438.619 2.334 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCc4ncc(Br)n4C3)CC2)nc1 1668264800 DFWWULAKIZXRSR-OAHLLOKOSA-N 444.337 2.195 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCN2CC3(CCOCC3)C2)cc1 1673398472 KPAOLZWFWZHMKT-UHFFFAOYSA-N 436.578 2.069 30 10 IEEE CC#CC[C@@H](CO)NC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1677278045 BZPGFHFEVICLOI-IBGZPJMESA-N 426.517 2.015 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1689824205 JXUMYUTWAHUFOQ-SFHVURJKSA-N 438.576 2.131 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)Cc1ccccc1 1690017930 OXLNSRZJRWRPAU-FQEVSTJZSA-N 426.542 2.208 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2nccs2)CC1 1690133378 FBSBTFIRQQNRGJ-UHFFFAOYSA-N 438.557 2.320 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(CC)CC2)nnc1[C@@]1(OCC)CCOC1 1690731634 OVJXORNCAOKSQL-HXUWFJFHSA-N 426.583 2.157 30 10 IEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)[C@H]1C 1693882346 CVWDRDZQPMNTGE-HOTGVXAUSA-N 449.602 2.494 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694130603 SAFMGRMKFDSSGS-XGIGFIBQSA-N 441.580 2.383 30 10 IEEE CCCN1CCC(Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1695368176 OBVUAALCNQMHTM-GOSISDBHSA-N 437.596 2.339 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(C)CN(C2CC2)C1=O 1697606183 JFSIABFPWPNSMD-HJPURHCSSA-N 438.532 2.472 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1698004470 BEFWGZAEGOUFND-GOSISDBHSA-N 440.548 2.458 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1698394327 LQIJPNVPBUMHLP-SJORKVTESA-N 439.545 2.137 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705515828 OCMFVBJRPQTMJU-IKGGRYGDSA-N 430.553 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1705576592 NNQBKCLBIKIISL-XMMPIXPASA-N 435.528 2.292 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCCC1 1705577231 XXWDPDAVLBZCER-UHFFFAOYSA-N 426.542 2.117 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705656036 PEOSGZNFWNDZRP-HNNXBMFYSA-N 439.994 2.373 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1705668579 PJYDYXLMXXLPRM-LAUBAEHRSA-N 430.578 2.217 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1705674751 PXVPEVYNUZXRRO-XMSQKQJNSA-N 433.622 2.294 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC)c2)CC1 1705780297 DKKWEWIVPJTYNY-HNNXBMFYSA-N 449.577 2.356 30 10 IEEE C=CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1705823907 ZNQDHPKUADNYOW-UHFFFAOYSA-N 438.576 2.492 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1705895101 UFNZFRSQHXDHKG-DOTOQJQBSA-N 428.924 2.152 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CCC 1705895655 OCMYHZOIABSDHU-OAHLLOKOSA-N 447.609 2.474 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1706743630 CPIPHSFPXKLGPN-VBHSOAQHSA-N 437.342 2.324 30 10 IEEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1708333437 XLFSEXHMGUNWNV-KSFYIVLOSA-N 442.520 2.167 30 10 IEEE CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1710142145 CBHJMERDJMQCSD-XLIONFOSSA-N 438.598 2.321 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)C[C@H]1C 1710218712 IDLXVTWCIGNMPT-LQWHRVPQSA-N 442.564 2.309 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)C)CC1 1710874236 BJADNAOBUFJPRK-UHFFFAOYSA-N 430.578 2.218 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 1711085445 HTBDVWZOZCMVIB-HXUWFJFHSA-N 436.541 2.326 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1711120140 FALOMUNHYJTCGJ-INIZCTEOSA-N 427.896 2.255 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1712380763 YQUVKUMIKAFXJC-HXUWFJFHSA-N 440.548 2.460 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1722333153 HOGOBFPHCAABPS-KRWDZBQOSA-N 432.569 2.378 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722370909 FSEGHAONDZZBKR-IMFGXOCKSA-N 428.558 2.280 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(C)=O)c1 1722428236 YHZUOQVROKFDPX-UHFFFAOYSA-N 435.532 2.232 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(N(C)C)CCC2)CC1 1722436100 WUTWNIMOIGETFN-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)N[C@@H](C)CC)CC1 1722440157 DVQNXAPCWYSBPQ-FQEVSTJZSA-N 447.587 2.341 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1722447211 GLEZARQKZOETPG-UHFFFAOYSA-N 440.548 2.473 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722683713 WXWWKDNNZYZAFF-JOCHJYFZSA-N 440.592 2.371 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@H](C)c1nccs1 1722727634 NNWCVIFMXKPSTH-AWEZNQCLSA-N 433.563 2.032 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1723074419 HSYLTVOLAXDFGE-SFHVURJKSA-N 433.516 2.384 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)C)C2)CCOC1 1723690154 IJNYCHJKHLLUAF-MIZPHKNDSA-N 446.596 2.168 30 10 IEEE CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1729199022 BUDXMJBNZIBMHY-UHFFFAOYSA-N 430.578 2.030 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1=O 1730781452 HWYXAEVZGDGCPK-AYBZRNKSSA-N 426.496 2.106 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC2CCOCC2)CC1 1740579828 USKVBOKZICUTFY-UHFFFAOYSA-N 430.597 2.159 30 10 IEEE C#CCCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596587 IMSUTBDZTPIOOF-SAHWJRBASA-N 442.564 2.179 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740637259 WBLLMPDPTCUGFG-HSZRJFAPSA-N 443.555 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)COC)CC1 1740704837 YZXIYXPOVMTVJL-UHFFFAOYSA-N 434.544 2.455 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740715448 JGRJGPHWCKMUII-RDJZCZTQSA-N 445.593 2.394 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccsc2)CC1 1740833940 ZLYCDLFZFXTPHQ-KUHUBIRLSA-N 439.607 2.260 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1740876544 UFZMTOQNMWRZIQ-MSOLQXFVSA-N 437.610 2.279 30 10 IEEE C=CCCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1740881359 FATYMBJHPJQTJY-OFNKIYASSA-N 433.597 2.445 30 10 IEEE C=CCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949743 QRGYFWKGARSNHK-BBWFWOEESA-N 430.553 2.436 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1741293688 TUHWGMYLABFEFY-UHFFFAOYSA-N 444.543 2.311 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)c1 1742166666 CYNZAGZXJUHEGW-JOCHJYFZSA-N 430.528 2.494 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1748750472 HRCMBQUOSZGLHK-ZWKOTPCHSA-N 444.580 2.473 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@@H](C)CC 1748915569 YEUXXZOFHWRWPP-JTSKRJEESA-N 447.605 2.452 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1749039913 FMBIPUDTSGXUOI-UHFFFAOYSA-N 436.578 2.388 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749219236 AUUOXGCJQQPFIK-GOSISDBHSA-N 436.520 2.070 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749259795 BWKFXYHPPUNZIC-UHFFFAOYSA-N 427.896 2.293 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749277410 BIEPKOBINQNCPQ-CQSZACIVSA-N 445.877 2.397 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749370316 GVFIFMSRGQNSDD-KRWDZBQOSA-N 432.594 2.336 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccc(C)s1 1749499453 HSELBFGXVBITDM-UHFFFAOYSA-N 449.606 2.110 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCS(=O)(=O)CC1 1760105203 MKWBKHIBLUYAHG-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCNc1nccc(C(F)(F)F)n1 1760160907 SHTZMNZCBNAVEK-UHFFFAOYSA-N 438.458 2.187 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccccc1F 1760239959 CDIHGNUJCWBGHP-LPHOPBHVSA-N 429.496 2.031 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)COC)CC1 1760269891 FZBAEYAKAPJUDN-KRWDZBQOSA-N 427.524 2.256 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760445593 PDQJFCFAOZQQMQ-UHFFFAOYSA-N 448.568 2.164 30 10 IEEE C=CCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760513801 DMJHJJLODHVPTH-HSZRJFAPSA-N 432.613 2.111 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760524402 WSYHWOIOOCNPAE-KRWDZBQOSA-N 445.593 2.222 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](OC)C1 1760527906 LYHBLIYWZPKZFN-MRXNPFEDSA-N 431.562 2.496 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCS1 1763496699 FGYWTFWXFIYPDQ-SFHVURJKSA-N 446.602 2.184 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1OC 1765012703 FQFMAUJHUYTNIB-MISYRCLQSA-N 438.532 2.259 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@@H]1C 1767131635 FCXNIZURSKSCTP-SFHVURJKSA-N 434.548 2.235 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)cc1 1768530549 ABWZJEYDLKIPPK-HXUWFJFHSA-N 427.505 2.268 30 10 IEEE COCCN(C)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769789125 KJCADLAKRLYRKV-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1770156641 KDMIBUNBCYYOLM-MBSDFSHPSA-N 441.532 2.254 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1770569317 YDIWTPBSSXUOLC-LJQANCHMSA-N 428.562 2.301 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](c4nccs4)C3)n2CCOCCCO)c1 1770735715 NJXREPWHEMBKNZ-GOSISDBHSA-N 440.529 2.250 30 10 IEEE COC[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770738990 OODSFSMVVORKEY-PKOBYXMFSA-N 425.537 2.048 30 10 IEEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1771477767 ZHNFWOQQLIQQRK-UHFFFAOYSA-N 441.605 2.363 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3n2)C(=O)C12CCCCC2 1854402945 BFDOYDURFFESFP-UHFFFAOYSA-N 426.498 2.075 30 10 IEEE C=CCN1CCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C(=O)C12CCCCC2 1856281579 LDUHYJYJYBHPER-UHFFFAOYSA-N 434.558 2.419 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)CCC(=O)O)cc21 1858752926 XRFKXWRMBJIRQT-UHFFFAOYSA-N 439.424 2.058 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862597195 SHCAACJXENDCKP-GOSISDBHSA-N 427.413 2.146 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1F 1862628358 ZCYCOVONEPEAAG-IBGZPJMESA-N 444.390 2.408 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)CCCCN)sc2c1 1865997400 HJJTXBYGLWCHNL-OAHLLOKOSA-N 437.591 2.054 30 10 IEEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868781843 BFWFGOFHWFCLRF-APWZRJJASA-N 431.606 2.082 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CSCCO 1870308619 NUGDLPYKHLUCDS-UHFFFAOYSA-N 437.543 2.245 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 1872898075 MILDAOAJAQEBLS-HNNXBMFYSA-N 434.334 2.343 30 10 IEEE COc1ccccc1OCC#CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 1890776165 XZJZIPORNLUOIL-UHFFFAOYSA-N 448.566 2.356 30 10 IEEE C#CCOC1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)C1 1892066658 NKZMREMFAKKXAE-HXUWFJFHSA-N 432.929 2.090 30 10 IEEE N#C[C@](N)(Cn1cnc(I)c1I)C1CCC1 1995441925 JINHQSTWELPEGY-JTQLQIEISA-N 442.042 2.113 30 10 IEEE C#CCn1ncc(NCC2CN(C(=O)OCc3ccccc3)C2)c(Br)c1=O 1998971199 XNTYIEXUFUPRQA-UHFFFAOYSA-N 431.290 2.320 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2023018484 QSESAOWKKHKECI-CVDCTZTESA-N 428.533 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2060640604 WTAYHKWQGZVRNG-OPAMFIHVSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2067678976 NDFZJBDFOWEKKI-ZJIFWQFVSA-N 436.358 2.467 30 10 IEEE COC(=O)[C@]1(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2232301100 BZSUWMWVACDKJY-QFIPXVFZSA-N 448.325 2.312 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]2COC[C@H]12 2254805588 LZUPCYWLYMWRBR-ZACQAIPSSA-N 431.342 2.109 30 10 IEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631510 ZXMSNKDORFYPHR-AWEZNQCLSA-N 436.362 2.474 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255647687 CFLPFGSWSBUDOH-NWDGAFQWSA-N 430.232 2.108 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255665952 MKYAKOSNEAHKDL-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2255835103 SRLGCXQQGGLYCI-IBGZPJMESA-N 441.406 2.251 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2256626713 NGEFCKJERJRWRB-HUUCEWRRSA-N 429.326 2.432 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256661856 WLHHKZLFLABUDV-WMLDXEAASA-N 432.326 2.464 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267126827 DPYWUAASMIDNPM-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267265744 KBBKZHFMRHBVBY-GXTWGEPZSA-N 441.259 2.052 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@]34CC[C@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2267520159 LLLOHRYSUDNTBB-UUOWRZLLSA-N 436.365 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267568160 PDJFWSSASZRWKO-INIZCTEOSA-N 449.357 2.070 30 10 IEEE C[C@H]1COC[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N1C(=O)OC(C)(C)C 2268646132 IDHRCJUOZZLPED-HOCLYGCPSA-N 447.341 2.344 30 10 IEEE Cc1nc(NC(=O)[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268720844 CBMOGZZNYWCTPC-FPTDNZKUSA-N 444.341 2.280 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NCc3csc(=N)[nH]3)cc2Cl)OC1(C)C 2282308905 XTQTXVSLPJGRBN-UHFFFAOYSA-N 435.789 2.048 30 10 IEEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCCC23OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282847260 WNUSXRYZFMNARV-AWEZNQCLSA-N 443.396 2.238 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CCC3(CC2)OCCO3)OC1(C)C 2282867206 VJWRRNOJYFYRCT-UHFFFAOYSA-N 443.396 2.152 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315682769 AEAVUSSWNAMADU-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2317151308 PBSHWYYJPIYMAZ-ROUUACIJSA-N 429.326 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2327379368 CNNVBUZKXAPSBE-AWEZNQCLSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334263995 ZZGXXLXGMNDUKF-AYSMAOOMSA-N 448.325 2.133 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1 2337202481 JZYVRWNJOAKTLE-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2337203337 WJARKGAYAZFZJT-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)S(=O)(=O)CC(=O)Nc3ccccc3)cc21 19978427 PESZAIJNYAZFKQ-OAHLLOKOSA-N 442.493 2.223 30 10 IEEE C#CCN(C)C(=O)C[C@H]1CCNC[C@@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1 215078221 MPZBBRZIMARMCY-YADHBBJMSA-N 449.599 2.247 30 10 IEEE O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 426393843 AXYDMNZPYOVCTE-UHFFFAOYSA-N 430.917 2.280 30 10 IEEE Cc1ccc(C)c(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 429290173 DFCXIQKMWFCJCL-UHFFFAOYSA-N 440.569 2.140 30 10 IEEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 438664253 HFRFOAKAWWTZJA-UHFFFAOYSA-N 449.559 2.458 30 10 IEEE N#Cc1ccc(OCCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 460286111 CNIFQFHRYKNGIP-UHFFFAOYSA-N 427.258 2.226 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1 460383047 BMQWMNGIZUVXLH-IBGZPJMESA-N 449.577 2.222 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 464413260 YNUMWWZMQHHKRA-UHFFFAOYSA-N 428.514 2.193 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C1=O 473794444 CTOSXGYELDOZEQ-HKBOAZHASA-N 448.523 2.358 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 482590140 HCRFUWQBQRBOQZ-FQEVSTJZSA-N 434.475 2.207 30 10 IEEE COc1cccc(OCCN2CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)c1 488753133 ZMIWAYDGJNNMHT-UHFFFAOYSA-N 428.514 2.226 30 10 IEEE Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 509503418 BHEWNWSZDRPYMN-UHFFFAOYSA-N 429.484 2.101 30 10 IEEE C=CCOc1ccc(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1OC 513374731 COSFFTTWIXYWTI-UHFFFAOYSA-N 431.558 2.490 30 10 IEEE Cc1c(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cccc1N(C)C 537280571 UTBCFBPKZMVJCM-UHFFFAOYSA-N 448.483 2.468 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CCC(=O)N2C)cc1 545463101 LHHABELULVEQRU-NFBKMPQASA-N 433.512 2.220 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 558996693 PFSMSCAOJVJSNA-IBGZPJMESA-N 442.545 2.236 30 10 IEEE N#Cc1nccnc1OC1CCC(NC(=O)CN2CCN(c3ccccc3F)C2=O)CC1 585355804 PGODCGCBMRLFMK-UHFFFAOYSA-N 438.463 2.236 30 10 IEEE Cn1c(SCC(=O)N2CCN(c3ncccc3C#N)CC2)nnc1-c1cccs1 608853257 XDISRPHEAXYMIG-UHFFFAOYSA-N 425.543 2.251 30 10 IEEE CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 609773006 SAWAYYHCLFEXPA-UHFFFAOYSA-N 428.518 2.377 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 729517601 UIYYAVOANNWBQD-SNVBAGLBSA-N 439.852 2.443 30 10 IEEE Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1C 732664111 DHPKJKPCMTVBGD-HXUWFJFHSA-N 432.590 2.096 30 10 IEEE CN(CCOc1cccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)C1CCOCC1 732676550 DENYRQODSYUXDL-QFIPXVFZSA-N 441.576 2.058 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)s1 736586563 ZPJAFAPLFIKLOV-HNNXBMFYSA-N 429.567 2.034 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(C#N)cc1 740206822 VFGXPPFGUNGWDI-YLJYHZDGSA-N 448.431 2.404 30 10 IEEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CCO1 741256018 UOZOLERSJMZXEE-FQEVSTJZSA-N 440.500 2.177 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 747969749 DSEUALKELGWKBW-CAUNFOBBSA-N 434.440 2.030 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(SC)c(OC)c2)c1=O 748064430 RDATYWGTEJWAIR-UHFFFAOYSA-N 444.578 2.159 30 10 IEEE C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnc(CC(C)C)s2)c1=O 758061127 VMASFNUJNXHPRG-UHFFFAOYSA-N 448.573 2.340 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@@H]1CCCO1 761836747 REKSWLBOJHSIFF-AWEZNQCLSA-N 429.567 2.151 30 10 IEEE C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCCN/C(O)=C1/N=CC=CC1=O 772982334 ICBFSPSAOYUNTR-NUMWXTGKSA-N 426.395 2.418 30 10 IEEE C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 773022442 CKJQDVRZPKVIGD-OAHLLOKOSA-N 437.543 2.013 30 10 IEEE N#C[C@@H](C(=O)C[C@@H]1CCCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 796628725 DEFALGDARMUWRQ-LPHOPBHVSA-N 433.530 2.325 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 800780116 KAKGHTQVFYNNGD-UHFFFAOYSA-N 438.532 2.339 30 10 IEEE N#Cc1ccnc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 803847411 DRRWLHDAFHRROD-INIZCTEOSA-N 433.468 2.480 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccc(Cl)cc1 810184919 FZAGUUODPAGKLJ-SFHVURJKSA-N 447.948 2.313 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cc1 812868805 NTDBRQPKTPHKEX-QGZVFWFLSA-N 437.518 2.082 30 10 IEEE COc1ccccc1NC(=O)CCSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084160044 OJDFPKCCDFBLRO-UHFFFAOYSA-N 443.537 2.345 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCc2nnc(-c3ccccc3)o2)n[nH]1 1084308542 LMMYDEWGLPTQAR-UHFFFAOYSA-N 439.505 2.399 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1O 1084477202 MBGBUFOXXUWRGN-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)cc1 1084594209 JEGNTCLDEHWSQG-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE C[C@]1(c2cccc(NC(=O)COc3ccc(C#N)c(Br)c3)c2)NC(=O)NC1=O 1125244447 MXHMBAPWHQMPGU-LJQANCHMSA-N 443.257 2.393 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CCCN1C(=O)OC(C)(C)C 1126589483 QCTMQPUASSXBOT-NRFANRHFSA-N 426.477 2.402 30 10 IEEE C#CCN(C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1136355311 RIKXZXDUCIEPGJ-HNNXBMFYSA-N 438.571 2.304 30 10 IEEE COCCCN1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1136595081 QARFCKQEBFXSKM-FRIYVGAWSA-N 434.581 2.390 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 1154958840 KNZPBWXYROEFGA-JOCHJYFZSA-N 437.565 2.261 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc3nc(O)[nH]c23)CC1 1178540273 TYPSCAWICNCGMV-INIZCTEOSA-N 427.505 2.224 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286350429 CTKNAZVOMDEYEC-IBGZPJMESA-N 440.567 2.458 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286360164 CVZYTCKDCZPYDU-DLBZAZTESA-N 429.496 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCOCC1 1286424289 UMCZGKWSNUCYRR-IBGZPJMESA-N 435.528 2.105 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCOCC1 1286469910 MUEWRLIUGQOUQQ-VAMGGRTRSA-N 433.597 2.003 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286602971 HJZRXKFRZQMMOM-KRWDZBQOSA-N 437.566 2.205 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNS(=O)(=O)CC)CC1 1286643544 MWEBFRYZDHHDRC-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1286759024 YHCKSNHVTIKCLY-UHFFFAOYSA-N 427.640 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286818443 WTRDYDUHXPKWMX-HUUCEWRRSA-N 437.532 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286821813 AYOREHTWFUJKGK-UHFFFAOYSA-N 444.483 2.067 30 10 IEEE CCc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1292541108 HZOOEGNERAIMED-MGPUTAFESA-N 434.541 2.135 30 10 IEEE CCCCn1cc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1294294806 AQTWYDMPPIZASH-LJQANCHMSA-N 442.568 2.279 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNC(=O)c2ccc(O)cc2)C1 1294908637 IXPPGQPJZVOORX-UHFFFAOYSA-N 443.301 2.009 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1295315174 SKOZNJZZYIIABV-DEOSSOPVSA-N 449.559 2.324 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1298284077 YVIQHWIVNDBSJD-MRXNPFEDSA-N 436.438 2.359 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(OC)C1CC1 1300284239 QQBFCPXOZCJZLP-OPAMFIHVSA-N 445.589 2.468 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300497686 CDTMQFGFBWZNQW-PZJWPPBQSA-N 442.585 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2sc(C)nc2C)CC1 1300725529 AWLQUNROBQJEJS-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1300829817 BCLZZIQBUORDEV-HRCADAONSA-N 445.358 2.295 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1300914590 DZBGHRACPKXEQA-ULQDDVLXSA-N 429.562 2.152 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1300996949 KKLUEWSQCVXMAC-UHFFFAOYSA-N 441.580 2.181 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1)C1CC1 1301331481 LWIUVFWEEZJFAG-UHFFFAOYSA-N 428.562 2.470 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1301497704 AYPKKWLWXRKOOX-UHFFFAOYSA-N 440.523 2.339 30 10 IEEE COCCN(C)CCn1c(CC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1301733671 HYBHUVCZHFCQDY-UHFFFAOYSA-N 425.581 2.253 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1 1301946551 VWAITKNDORUECN-NVXWUHKLSA-N 426.521 2.426 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1301964493 AXANUOQPNWVMSZ-QGZVFWFLSA-N 442.593 2.096 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1302204062 CEYFCTQJLCBITN-QGZVFWFLSA-N 448.531 2.369 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1302429267 ZIOHZYILGZHSQR-XLIONFOSSA-N 449.508 2.054 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1303051108 AZQYGMIBGFAYSW-PMACEKPBSA-N 438.613 2.149 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1309480976 LIHBJRGKQKVFOW-UHFFFAOYSA-N 435.303 2.325 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1313585139 AMACVAWXTFALTP-SFHVURJKSA-N 431.562 2.381 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)C1 1316327891 BQXQTWDZHUGVRG-IBGZPJMESA-N 433.516 2.463 30 10 IEEE CCc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1C 1320085836 HEYHDSGQGJJLMO-GOSISDBHSA-N 443.529 2.118 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358959304 GHOBAWCNHQLWPM-DLBZAZTESA-N 447.948 2.313 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CNC(=O)OC(C)(C)C 1358983482 JTTJYBKFPALTFO-QYZOEREBSA-N 445.564 2.236 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1359000139 NAXQZMFLGOIFIY-KRWDZBQOSA-N 444.967 2.042 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCC[C@H]1C 1359021316 KXQCTGRPKRPEIS-GOSISDBHSA-N 425.533 2.287 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1359024574 PYWIPRRTMCAXGD-APWZRJJASA-N 433.503 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2C[C@H]2C)CC1 1359047659 OMZNFPWQJODBAW-IEBWSBKVSA-N 437.544 2.488 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359132600 AXSGAASDDGQCMJ-GOSISDBHSA-N 431.516 2.368 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1359151791 BOYOIIQHHDOPSR-UHFFFAOYSA-N 438.910 2.110 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359190401 OIIKHLITNTXDJB-UHFFFAOYSA-N 434.548 2.453 30 10 IEEE CC(C)COCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360065938 IPKZMOMQXXVRKT-UHFFFAOYSA-N 441.536 2.014 30 10 IEEE CC(C)(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(C#N)cc1 1435083342 NHRIOTOJCLWCRA-HXUWFJFHSA-N 434.544 2.248 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)c(C#N)cn1CC 1436862058 NJXNKQHFQCGTNO-UHFFFAOYSA-N 443.504 2.386 30 10 IEEE O=C(NCC[S@](=O)CC(F)(F)F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 1437611364 UYWLWCAFZFFWQF-NDEPHWFRSA-N 432.321 2.466 30 10 IEEE N#Cc1c(N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)ccc([N+](=O)[O-])c1N 1458616773 IZBRPYZOIUDEIE-UHFFFAOYSA-N 449.515 2.108 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(n3cnc4ccccc4c3=O)CC2)c1 1460976181 MUCMGZUSSQRGAD-UHFFFAOYSA-N 429.480 2.363 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)COC1 1463796267 PLAPHQICYLVKEZ-GOSISDBHSA-N 432.496 2.218 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1465154404 XBAZESSTZDKAAO-KRWDZBQOSA-N 436.578 2.477 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)c1 1465307632 INQIBGIKJJTFNM-QFIPXVFZSA-N 440.565 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)COc1ccccc1C#N)OC2=O 1471943977 SVPDUHRUILECLZ-KRWDZBQOSA-N 443.500 2.386 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1479061643 VKCVKIQIVIQTBL-QZTJIDSGSA-N 438.569 2.010 30 10 IEEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCNS(=O)(=O)CC 1498987639 JTHDFRVPAGDMBZ-UHFFFAOYSA-N 446.577 2.089 30 10 IEEE COCc1nocc1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1504661037 XCMRJORNYHRNRY-CYBMUJFWSA-N 434.460 2.372 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1504821849 GICZGHWLPLSSLI-MRXNPFEDSA-N 436.438 2.358 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1504829047 DVPFEDRFCOYQBS-VGSWGCGISA-N 427.505 2.149 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCCC2)CC1 1504913333 HMQOTQNHDLFVPM-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2nsnc2c1 1504965962 QHXWUFKFSPHEOH-DJJJIMSYSA-N 431.497 2.497 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507559463 PRHUUXCFZKGCGN-UHFFFAOYSA-N 433.564 2.336 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)SC 1507654318 YRUSWPVBZAEFRS-SJORKVTESA-N 433.578 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](OC)[C@@H](C)CC 1507663944 DMLVXINDSIJACT-GHTZIAJQSA-N 432.532 2.445 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1507690181 QQBORGAEUMCZKM-AWEZNQCLSA-N 431.543 2.405 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507719770 BGQTYDGGJBZRJS-DLBZAZTESA-N 433.915 2.033 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1507723294 CKCALGCUODMACQ-UHFFFAOYSA-N 435.576 2.052 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C2CCCCC2)CC1 1507879028 CLMFHYPLXBHFOR-OXQOHEQNSA-N 425.599 2.376 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1507910883 FWXXJJBROBRXEE-INIZCTEOSA-N 435.536 2.190 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2F)CC1 1508082513 SZPCVTSXVLMHET-UHFFFAOYSA-N 439.470 2.247 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)C1 1508128134 YURWGHSCKYVIAX-NJDAHSKKSA-N 433.597 2.310 30 10 IEEE CC(C)(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1508491539 MBDLEVGIOBNCPM-UHFFFAOYSA-N 426.521 2.164 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C(N)=O)cc1 1508505725 KEACSNNPOZGHIV-UHFFFAOYSA-N 431.500 2.258 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1508777419 FAHGKKTWEWZJHB-IBGZPJMESA-N 437.548 2.036 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cc(CO)nn1 1509947708 CACKRIDAZUQNOG-MRXNPFEDSA-N 446.519 2.248 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cnn(C)n1 1510252380 AYGCBTMUWHLIDW-DNVCBOLYSA-N 440.483 2.047 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@H](F)C1 1517073690 DSHASLJNCNCBQQ-PKOBYXMFSA-N 426.496 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1520669133 VUEOOIDIPBBGKO-HUUCEWRRSA-N 436.475 2.343 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1537491332 BZYDLXOMZYKSCT-IBGZPJMESA-N 444.532 2.231 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1538889961 HMESLJHGGOKOCB-GHTZIAJQSA-N 433.574 2.404 30 10 IEEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539362949 HRQZVLWEKWMIQL-INIZCTEOSA-N 426.546 2.167 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)CN2CCCC2)CC1 1539428318 QJULHCLYUYYQCD-UHFFFAOYSA-N 443.640 2.074 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(=O)NC)c2)CC1 1539437523 CVQWLRZHMDIBNL-UHFFFAOYSA-N 432.528 2.204 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540036660 QSJOTQCNJAIIME-INIZCTEOSA-N 433.582 2.115 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1540125951 DARFARWUAXZYIP-UHFFFAOYSA-N 443.529 2.243 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](SC)C1 1540869681 UMLYMXFQQSILDX-CQSZACIVSA-N 432.550 2.030 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1541107341 IVZSZKXCZQWUPI-HUUCEWRRSA-N 432.506 2.274 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CC=CCC1 1545532989 AJRBZOUDIZEXKC-GOSISDBHSA-N 437.596 2.294 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1545880088 PNAHMZIINIAFIJ-UHFFFAOYSA-N 443.541 2.326 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H](C)O1 1546769374 FFFIDBJWXZDLBW-LPHOPBHVSA-N 438.532 2.259 30 10 IEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)CC1 1547776096 CHYCCBMNCGCTBR-INIZCTEOSA-N 443.577 2.332 30 10 IEEE COC(=O)c1c(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc2n1CCC2 1557688500 IEMOOLZGSFXOFP-BJCXIENYSA-N 443.504 2.341 30 10 IEEE C=CCOCCCNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1584722159 LCCFHNATNYYLBQ-SFHVURJKSA-N 444.557 2.432 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccnc2-n2cc(Br)cn2)n1 1586565756 ZVQNHTIGLIJDFM-UHFFFAOYSA-N 443.305 2.148 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 1587586078 QKXBDBYDGQLBQS-UHFFFAOYSA-N 433.461 2.464 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1587739548 VPHRZMYXELRGNV-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1587793382 LFWBTTTYPMDVKE-URXFXBBRSA-N 445.608 2.282 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1588064221 DJIYZGRJTBGMIZ-GOSISDBHSA-N 441.582 2.309 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1589077806 AVUOERWOOIIGGL-AWEZNQCLSA-N 433.484 2.154 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1593740717 DCRFARLTDPWSRY-JKSUJKDBSA-N 432.550 2.165 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCOC)CC1 1594096528 CNSFXZNBXKCXNG-UHFFFAOYSA-N 427.553 2.272 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(CCOC)c2)CC1 1594202452 PZOVCPSLLMXPNE-QFIPXVFZSA-N 430.553 2.224 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1594498891 YOKJRMHGVHTRES-ZWKOTPCHSA-N 437.610 2.450 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1594820234 XVGKAQSUYJMYCE-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCOC2(CCCC2)C1 1595595167 UCLXNLMEGNWNIM-UHFFFAOYSA-N 429.496 2.448 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCCN(C(C)=O)CC1 1595649839 VPVWCBQVTVXJRU-UHFFFAOYSA-N 433.516 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N(C)C)C1 1595699444 DLVDCAWSDFGGKD-QGZVFWFLSA-N 429.521 2.222 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CN(CC(C)C)CCO2)C1 1595707718 ZLOLOFDYEDUKFA-VQTJNVASSA-N 428.581 2.422 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1595723143 RXLQSUTYBVAAPD-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOc3c(cccc3C(=O)OC)C2)ccc1F 1598353180 UDIPFQWUFOSYLJ-UHFFFAOYSA-N 448.472 2.111 30 10 IEEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1616347007 MNNAKEKDRYSZPY-ZZEZOPTASA-N 428.489 2.010 30 10 IEEE N#CCCn1cc(C(=O)N[C@@H]2CCOC23CCOCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 1616928717 BMZHNORBKQEUGK-GOSISDBHSA-N 425.445 2.440 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCCC1 1618264592 RCKMRXLCPZNPEI-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@@H]2C)cc1 1619228215 FAKMPFMESQYQLX-MOPGFXCFSA-N 426.565 2.388 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 1628239238 OPOPDOQUEYNFMF-ZWKOTPCHSA-N 434.606 2.460 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 1631745670 XGTWXIAOEMIJMZ-INMHGKMJSA-N 428.537 2.325 30 10 IEEE Cc1cc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccc(C#N)cc1 1634057125 FISXYWPBQYZHQW-UHFFFAOYSA-N 437.500 2.170 30 10 IEEE C#C[C@H](CC)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1635863212 MXIDQZYYVRVXHC-CYBMUJFWSA-N 426.311 2.277 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4nnc(N)o4)C3)C2)C1 1642473267 STAJBZQAFPHGJM-NSOWYUBSSA-N 430.509 2.145 30 10 IEEE C#C[C@@H](NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@H]1CCCO1 1645352014 PJSRRYPTVIMWBY-IEBWSBKVSA-N 439.965 2.224 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2nc(C)cc(O)n2)C1 1645364029 ZCBSRKFESORLKU-KGLIPLIRSA-N 425.917 2.221 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1C 1648011442 XCACBEQJTGVHEE-AEFFLSMTSA-N 429.546 2.077 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1650810665 NBMRAUJHOBDMHV-JOCHJYFZSA-N 447.536 2.000 30 10 IEEE C[C@]1([C@H]2CCCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)COC(=O)N1 1652122214 PQACNRPZDWLTIP-MGPUTAFESA-N 447.333 2.494 30 10 IEEE COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1660342549 HXYYUIFYKZGFKN-ROUUACIJSA-N 443.500 2.114 30 10 IEEE COC(=O)c1cc(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cc(C(=O)OC)c1 1660389564 PJLLMKYLEPCBCO-HXUWFJFHSA-N 437.452 2.143 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)c1 1661489015 DDSTUSNROFOHOW-UHFFFAOYSA-N 445.928 2.490 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C1CCOCC1 1665155949 HYTYBDNYJXYCEU-HNNXBMFYSA-N 432.336 2.181 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1684360233 DBJGDUIXJZBVFH-GOTSBHOMSA-N 447.587 2.355 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1690003709 VGRGRSHWINCRKC-XMMPIXPASA-N 448.502 2.376 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Cl)s2)CC1 1690109348 OLIKCWCQFGIAJG-UHFFFAOYSA-N 432.981 2.227 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(OC)CCOC2)CC1 1690111434 BQHOCUFBNISECK-MBSDFSHPSA-N 443.523 2.118 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1690124655 QCLOHDBNVINRMF-SFHVURJKSA-N 442.564 2.279 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 1690153796 AXCZTTVVXFOKAI-UHFFFAOYSA-N 432.638 2.439 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690309907 NLZNOVAZTYBQQG-LJQANCHMSA-N 436.520 2.039 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1690536019 NHOQXSBAXSMPMK-GASCZTMLSA-N 427.571 2.106 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1690595544 YRKIXPLWIJXJOR-AVRDEDQJSA-N 428.558 2.193 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCCO1 1690672367 PWOCSVRCYWPVDU-VQIMIIECSA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C)[C@H]1C 1690674325 XDNJIVUXIMLHSD-CVEARBPZSA-N 425.562 2.149 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1690680970 BMBWUBYNORDLPE-IBGZPJMESA-N 449.559 2.420 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1694782865 CNWITWKZMUXYKB-IBGZPJMESA-N 449.559 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1705492575 SPAPSGUCQCYKFQ-WMZOPIPTSA-N 432.569 2.377 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1705560579 LUEGYIJKESDUMQ-INIZCTEOSA-N 433.578 2.500 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccc(C)c2)CC1 1705639479 PDWMWCKMWFNIRM-NRFANRHFSA-N 436.560 2.013 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705681741 CKBFTGWDLZGDIG-UHFFFAOYSA-N 444.330 2.145 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705699215 DMTBUVJEBYWETB-IEBWSBKVSA-N 437.610 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H](C)C(=O)NC 1705896185 DQBBFZAYBCLNLQ-LSDHHAIUSA-N 444.605 2.252 30 10 IEEE CC(C)(C)c1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706112200 DMCBVLFWUCPEEC-HNENSFHCSA-N 442.564 2.499 30 10 IEEE CC(C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1706203458 BOZSMTXYRJKNCQ-UHFFFAOYSA-N 435.507 2.372 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708134073 LOVRHVFUPGBHJV-XGNMISCSSA-N 447.499 2.101 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC(C)(C)O1 1708175386 FBRSRUIXNLQKKK-RDJZCZTQSA-N 429.546 2.255 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1710198619 FJYGCNRNTILWCC-MRXNPFEDSA-N 436.520 2.392 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2c2cnn(C)c2)CCOC1 1710418496 XZGFZSFSGOKCJC-HMFYCAOWSA-N 442.568 2.071 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCSC2)cc1 1711798766 BNYUOICICFVPQF-LEWJYISDSA-N 431.537 2.382 30 10 IEEE COC[C@@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712181015 RWCMPZBMOKQJLM-AZUAARDMSA-N 442.539 2.233 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCS(C)(=O)=O)c1 1722309534 OWKQWORLQDSYDS-UHFFFAOYSA-N 429.546 2.037 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1C 1722354275 CJQXTRBQLMJZRU-KURKYZTESA-N 433.553 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCC(=O)NCc1ccccc1 1722398993 HIKFPICRVQUKNY-UHFFFAOYSA-N 426.524 2.433 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)SC 1722417959 ZGJYTZIJDDVNIA-LSDHHAIUSA-N 439.582 2.419 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)C(C)(C)C 1722423383 AJOOUAQHFQPGRV-UHFFFAOYSA-N 429.546 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCn1cncn1 1722424351 KGYPAUNQKMKHLL-UHFFFAOYSA-N 430.310 2.085 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722457020 MRCTVDKWGLHTTA-GOSISDBHSA-N 429.571 2.197 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1722464461 GSINNJQTFCNLMT-QZTJIDSGSA-N 448.637 2.415 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722482211 GGEDFXLQPVDGNT-KGLIPLIRSA-N 428.331 2.406 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](SC)C(C)(C)C)C1 1722709895 BDYVIHUZWSVRQA-OAGGEKHMSA-N 445.655 2.447 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@H](C(F)(F)F)O1 1726666275 IRRFOYWXJLDMSF-WMLDXEAASA-N 439.438 2.372 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1729515988 QYNXTWGKHWIEAM-UHFFFAOYSA-N 443.529 2.460 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccc(C#N)o1 1730294844 PMQCZDLRXAXABY-INIZCTEOSA-N 434.500 2.482 30 10 IEEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCOCCCO)CCO1 1731187057 JBFDRIUJLWSUPF-MRXNPFEDSA-N 437.953 2.352 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(-n2cncn2)c1 1740531983 WJEHZKVCOZKNCS-MRXNPFEDSA-N 427.472 2.012 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740572318 IBHXMCZCFADCHW-KRWDZBQOSA-N 430.530 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCOC1 1740634756 DUFCHRCHBPYPNO-DEOSSOPVSA-N 432.480 2.341 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NC1CCCCC1 1740647054 MZICGQHFSSYADX-XMMPIXPASA-N 441.576 2.232 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1740671407 GNPCQAORROTMLH-ZWKOTPCHSA-N 433.553 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC2CCOCC2)CC1 1740705247 CUZWNEIYZSRTLH-OAQYLSRUSA-N 443.592 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 1740749867 GNCPRSPRYHQTFY-WDSOQIARSA-N 427.553 2.473 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740784303 QVAPCKDRUATXHT-UHFFFAOYSA-N 431.610 2.200 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740884769 MCKAUSWTBVGDMP-LJQANCHMSA-N 439.568 2.396 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1740899136 HAYPRBBPTNQKRL-UHFFFAOYSA-N 427.553 2.006 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740991798 DYEFZZWTAYDGOV-UHFFFAOYSA-N 437.610 2.059 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(F)F)c1 1741927880 WSQMTEFXHJKSQC-KZULUSFZSA-N 442.467 2.316 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1747396016 OEKZQENSAXOIOD-APWZRJJASA-N 429.546 2.421 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)cc(OC)c1OC 1748515126 RAJATDXQGGBIDD-RCDICMHDSA-N 442.520 2.045 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748642161 MURRTAPAAUYUST-DFBJGRDBSA-N 437.588 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(F)F 1748664178 DHIFQKKCOLIOFW-AWEZNQCLSA-N 430.459 2.322 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCN(C)S(=O)(=O)CC 1748679762 IQPJFVZQNLHJAX-GOSISDBHSA-N 442.589 2.411 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1748809167 KCHXUGDLPUXCCA-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1748814373 DWARMEZXGZSTFT-FQEVSTJZSA-N 428.558 2.367 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OC 1748945703 XYGRWURQYXDCIR-LJQANCHMSA-N 434.475 2.460 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCc2ccc3c(c2)OCCO3)n1 1748970653 MSGHAKUSHFIJCB-UHFFFAOYSA-N 436.516 2.083 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1749009837 LXNBZYLEJGAQLZ-HBMCJLEFSA-N 443.592 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC=C(C)C)CC1 1749020510 VYKHAKGTCRMUDV-PMACEKPBSA-N 429.565 2.324 30 10 IEEE C#CCSCCn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749049120 XVFOPNPXCPIDIT-QFIPXVFZSA-N 449.621 2.134 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1749140386 OOASKEJCZQWZPL-XUVXKRRUSA-N 447.580 2.090 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749370865 RHYOPIASANORMQ-GOSISDBHSA-N 437.548 2.339 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C#N)o2)CCO1 1749551939 GTXJILSYGBVDPQ-SFHVURJKSA-N 439.472 2.327 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1749663785 QMGIDQCCBQUBSB-UHFFFAOYSA-N 425.443 2.485 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC)Cc1ccc(F)cc1F 1749666256 KIMVIBGFPJJNMZ-KRWDZBQOSA-N 432.475 2.226 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1749668881 FWZKBEKNCJAZKD-RDTXWAMCSA-N 449.914 2.455 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1ccc(F)c(F)c1F 1751202329 MEBWJTTWCZETCQ-RYUDHWBXSA-N 444.483 2.287 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@]3(O)CCC[C@@H]3C)CC2)c1C#N 1751827422 IEQBRXNGECMOKR-AOMKIAJQSA-N 426.569 2.193 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760162357 RIBDJVKYTHUKKS-SFHVURJKSA-N 425.537 2.367 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760186281 LRTZHJIUUVRDFY-CQSZACIVSA-N 436.500 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1c(C)cccc1C 1760210104 MOQOGQGXEGWTHW-LJQANCHMSA-N 443.573 2.047 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCOC[C@@H]2CCCO2)CC1 1760258335 TTWWWSMEACMXSV-IBGZPJMESA-N 427.524 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1760267609 SNJCWVSOBKWZCT-UHFFFAOYSA-N 430.512 2.129 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760275562 ADOSZOWQFTZUNZ-QGZVFWFLSA-N 428.518 2.325 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760350011 NIZPMRUGKXNPOY-OXQOHEQNSA-N 443.621 2.199 30 10 IEEE C=CCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513369 WCXIHJLZHSSXDJ-HRAATJIYSA-N 431.541 2.079 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCCC2)C1 1760533019 ABPAQTYSCZTGJU-WOJBJXKFSA-N 430.597 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760554134 SJIKFJJHFWLJQH-QGZVFWFLSA-N 445.574 2.442 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCOCC1 1760688125 BDHRLNCXKVEMSU-INIZCTEOSA-N 448.531 2.213 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1762915729 KTMXBBHKVYYYQR-QFBILLFUSA-N 425.493 2.314 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1765172688 IYNHINFLEWNJMK-QHAWAJNXSA-N 441.532 2.274 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1768807349 HPIIFNSTUYSNCH-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1769295147 SCIREMVNNRJBTK-HOJAQTOUSA-N 445.495 2.097 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1770089219 WCRVGGZWWFQGPE-LJQANCHMSA-N 436.520 2.118 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2CC(F)(F)F)CC1 1771534253 SROKHLCPXFATCC-UHFFFAOYSA-N 428.422 2.419 30 10 IEEE C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)[C@H]1CCN(C)C1=O 1848771570 HFFFPYPHHNNXAG-NRFANRHFSA-N 441.553 2.366 30 10 IEEE N#Cc1cc(F)c(NC(=O)CCCN2CCS(=O)(=O)CC2)c(Br)c1F 1851767276 INNKJJCHWWXRPE-UHFFFAOYSA-N 436.278 2.048 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc1 1852806694 GZSPYYWPURTHDV-UHFFFAOYSA-N 445.435 2.192 30 10 IEEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c(C)c1 1854642577 SCNDNMAJVOYEMX-QGZVFWFLSA-N 425.510 2.166 30 10 IEEE COC(=O)c1cccc(OC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2COS(C)(=O)=O)c1 1857781537 DENNKLSIBCZSDN-HZPDHXFCSA-N 443.518 2.311 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862707094 NQHRZDGEVCNCNY-IBGZPJMESA-N 441.440 2.449 30 10 IEEE CC[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(C#N)cc1 1867223616 SJXSKGJREORQPP-FQEVSTJZSA-N 435.528 2.466 30 10 IEEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1OC 1870137556 QWNDFZHHCODPNG-UHFFFAOYSA-N 439.428 2.434 30 10 IEEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870509716 JSCYYUJNHXGERD-UHFFFAOYSA-N 438.572 2.256 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874447747 LPTGTGHIZMWIBM-DACUGSJHSA-N 449.533 2.353 30 10 IEEE C#C[C@H](C)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883387529 VACYDAQYBJXTEJ-XOBRGWDASA-N 427.478 2.415 30 10 IEEE C#C[C@@H](C)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883391444 VACYDAQYBJXTEJ-JLTOFOAXSA-N 427.478 2.415 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C)c(NC(C)=O)c3)CC2)CC1 1889528248 NWKHTPLFLNJGST-UHFFFAOYSA-N 440.588 2.216 30 10 IEEE CC(=O)Nc1ccc(Br)cc1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1890499819 IQWPWYFWPOPQJC-UHFFFAOYSA-N 429.278 2.030 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CCC#CBr 1990653635 RNDZRNDSYQMTOX-CQSZACIVSA-N 446.319 2.305 30 10 IEEE CC[C@@H](C#N)S(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994713486 PIAOHHPYSDHAIM-MOPGFXCFSA-N 436.578 2.329 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2014242630 HPHSCLOXLOAETP-BZUAXINKSA-N 440.541 2.060 30 10 IEEE COc1nc(OCCOCCOCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2056733454 GKJNUWKUQFFYLN-UHFFFAOYSA-N 430.310 2.397 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C2=CCS(=O)(=O)CC2)CCN(Cc2ccccc2)C1 2210138113 VEUAJYRUMUAGHZ-QFIPXVFZSA-N 434.558 2.470 30 10 IEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224127043 FKACCRLVHJZXDD-ZFWWWQNUSA-N 436.314 2.214 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224132356 WKJJMJLOYBUZDX-QGZVFWFLSA-N 433.358 2.311 30 10 IEEE C=C(CS(=O)(=O)N(C)CC1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243415917 FGAXRWRFBCZRLU-UHFFFAOYSA-N 430.376 2.303 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](C(=O)O)[C@H](C)OCc2ccccc2)C1 2247542150 KBZIDKYUHCEEFE-RYZHXOGVSA-N 430.501 2.468 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)F 2247881137 SEHWMQQOTBYYFP-UHFFFAOYSA-N 441.309 2.175 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2247922837 OCIGGIQUBVHWTH-ZIAGYGMSSA-N 435.355 2.276 30 10 IEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255694718 SFCMJNOEDODXPN-INIZCTEOSA-N 433.358 2.406 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255696922 AZZWBQIZYQXGNC-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE CN(CCCCN(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255827579 KURYGWUAAQGAML-UHFFFAOYSA-N 436.362 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255871645 YFGADZAIVGFJMG-INIZCTEOSA-N 429.326 2.286 30 10 IEEE COC(=O)[C@]1(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2266721606 AOADFJQDARIQHW-QFIPXVFZSA-N 448.325 2.312 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C[C@@H]2[C@H]1CO 2266748460 PFPQPURXTIJYBR-YESZJQIVSA-N 445.369 2.045 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267138593 WFGONEJSHZBWNW-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)cc2)OC1(C)C 2267267185 VATYRBMVAOVAHM-HOTGVXAUSA-N 438.255 2.364 30 10 IEEE CCn1cc(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267492977 XHLRRIXFHHUKNC-QFIPXVFZSA-N 448.373 2.332 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2267524084 KWNMGQPDLFHCRW-SHTZXODSSA-N 448.373 2.235 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2267527560 JGUIIVNKPKHMIC-GJZGRUSLSA-N 446.357 2.036 30 10 IEEE Cc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528895 VMGBSOWBVMJOOY-IBGZPJMESA-N 438.381 2.422 30 10 IEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273792713 RGDGBXLEBFXHAV-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2303147760 QJUYZGIUGLAUGV-ZIAGYGMSSA-N 428.310 2.001 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C 2337284119 XKPHHZVGKJTDGI-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](O)[C@H](CNC(=O)OC(C)(C)C)OC 2352311994 VSDQSFPLZGKKFD-IXDOHACOSA-N 427.339 2.289 30 10 IEEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 20807133 ODVHZOXDXNFEGY-KEBDBYFISA-N 426.462 2.385 30 10 IEEE COc1ccc(C(=O)Oc2cccc(/C=N\N=C3/NC(=O)[C@@H](CC(=O)O)S3)c2)cc1 33432196 HUXHLSUTNDIVAF-NBZOHKLQSA-N 427.438 2.311 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1 103107130 ZZQDMYOSCYDGJN-GOBJLOIFSA-N 426.469 2.432 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CNC(=O)c2ccc(Br)cc2)cn1 474418268 WIOZSUMTLBRAQS-UHFFFAOYSA-N 425.246 2.270 30 10 IEEE CC1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 476931787 JIIOZYMCFRBDIS-UHFFFAOYSA-N 438.981 2.213 30 10 IEEE COc1ccc(OC)c(CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C2CC2)c1 480119884 YHDSUUYNFXXWKK-OAHLLOKOSA-N 443.525 2.433 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508702881 YGRKZOSURAGAJK-QGZVFWFLSA-N 439.520 2.172 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C/c1ccccc1 508884286 GJYSZVXSOLFJRL-FLXZHSAZSA-N 431.562 2.337 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)nc1 512312240 GFRCYOONUJFQGC-ZWNYDNLBSA-N 443.573 2.485 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2CCc2ccccc2)CC1 549545251 RIPKQIJUDHLWQD-UHFFFAOYSA-N 445.571 2.315 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 554086495 KOXFJVGNGPIIOM-SNVBAGLBSA-N 430.408 2.283 30 10 IEEE CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 559881016 MOHXKIYNGVDBEK-UHFFFAOYSA-N 427.935 2.377 30 10 IEEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 563472333 MJBILAZUOHNZFO-UHFFFAOYSA-N 444.967 2.155 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CC1 604182784 FBLCOUWKEUOEPT-UHFFFAOYSA-N 427.480 2.142 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCOc3ccccc32)CC1 609420376 SFVIWJJCRDJMDI-GOSISDBHSA-N 440.525 2.140 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1Cc1ccccc1 609739274 OYURUPWDXZDUJC-UHFFFAOYSA-N 435.524 2.435 30 10 IEEE N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611670622 GBPDKFBJQHDWOC-IFMALSPDSA-N 429.542 2.399 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 615000178 AIPPIGROORIGPH-UHFFFAOYSA-N 443.525 2.184 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OCC)cc1 727416153 HRHGCXSUZQWZDQ-UHFFFAOYSA-N 437.521 2.310 30 10 IEEE C#CCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)[C@H]1CCS(=O)(=O)C1 729330402 CNSUNZNKYFEWPM-NSHGMRRFSA-N 446.569 2.117 30 10 IEEE CC(C)CNC(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Cl 732424195 GMDNWLXECWTVLB-HTXNQAPBSA-N 433.896 2.374 30 10 IEEE CCCn1cc(C=Nn2c(-c3ccc(O)c(C(N)=O)c3)csc2=NCCCOC)cn1 734976521 CHJNIEWFXMCANC-UHFFFAOYSA-N 442.545 2.447 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CC[C@@H](C)C2 746036854 GPRYMTHMJDRNKS-HIFRSBDPSA-N 444.557 2.187 30 10 IEEE C[C@H](C#N)CN(C)C(=O)C[C@]1(C(=O)N(C)C[C@@H](C)C#N)CCN(C(=O)OC(C)(C)C)C1 746155233 GJKRYTPZPLTRHN-HYFFOGBASA-N 433.553 2.240 30 10 IEEE Cc1ccc(NC(=O)COC(=O)c2cc(C#N)cn2C)cc1S(=O)(=O)N1CCCCC1 751728725 IQMHPMDZPVLNHG-UHFFFAOYSA-N 444.513 2.175 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4C)cc2C1=O 753312667 MAFWULKCMRXAKQ-UHFFFAOYSA-N 432.432 2.417 30 10 IEEE COCC[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757471197 OQDDDQXWAMXMBH-OAQYLSRUSA-N 436.464 2.134 30 10 IEEE N#Cc1c(CCCNC(=O)c2cc(Br)n[nH]2)nn(-c2ccc(F)cc2)c1N 788281745 SUJQFNIMZHVOIW-UHFFFAOYSA-N 432.257 2.313 30 10 IEEE C=CC[C@@]1(C(=O)NCCN2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 790359732 SZJXAKCYSADJAH-QHCPKHFHSA-N 444.580 2.061 30 10 IEEE N#CCC1(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N\CCc2ccccn2)CC1 797424742 BTXGKKBTUKESCG-IDICYNCBSA-N 449.540 2.437 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 802601871 BDNNEMAWOBSTBN-GOSISDBHSA-N 447.561 2.152 30 10 IEEE C[C@H]1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 805787940 DGYPOAGZBMQWPH-DIGLBZAJSA-N 449.433 2.289 30 10 IEEE COc1cc(C=NNc2nnc(SCC(=O)c3ccccc3)n2N)cc([N+](=O)[O-])c1O 1084322974 VPQWFNBAOXDUDL-UHFFFAOYSA-N 443.445 2.035 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)cc1OC 1084622052 XQPPKSWUFUOZPI-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE COC(=O)c1ccc2c(n1)CN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CC2 1135030910 FVYHRNVFALYBGV-HNNXBMFYSA-N 438.871 2.331 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136670244 CZQAKEVMWLGDNF-CYBMUJFWSA-N 425.482 2.204 30 10 IEEE C#CCN1CCC(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1155872930 HGCAWVOKRZNDEW-FQEVSTJZSA-N 443.544 2.227 30 10 IEEE C#CCN(CC(=O)N1CCn2c(Cc3ccccc3F)nnc2C1)C(=O)OC(C)(C)C 1165223487 MUENYLWIAZGBOW-UHFFFAOYSA-N 427.480 2.221 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CC1 1196065311 WVSJTFLNFUCZEH-SFJPWHOLSA-N 436.556 2.423 30 10 IEEE CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 1198666696 WVHDJYZCQHFGKL-XKAFOEQXSA-N 435.550 2.022 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 1251846356 CDZZBEQEJCAYEX-JPYJTQIMSA-N 435.484 2.422 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1286348532 LCMQTNOVCWPYIB-QGZVFWFLSA-N 435.532 2.164 30 10 IEEE C#CCCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286360641 VDGQVVUMQBQJQQ-HSZRJFAPSA-N 439.564 2.157 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC 1286419469 YDMVGUHNSBEBDM-UHFFFAOYSA-N 441.557 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OC)CC1 1286490408 UCAOTKBMNPBRCI-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1286510566 WZVRBVZBMMMYKB-LJQANCHMSA-N 427.574 2.053 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)CC1 1286564717 HOZKQVULZCBTOS-VGOFRKELSA-N 441.532 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286814687 DSIIXIGONPIFKO-LPHOPBHVSA-N 429.546 2.421 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 1286891161 FEFGAMVOLSNCAF-MOPGFXCFSA-N 435.576 2.463 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cc1 1286958906 CHYMKLBOVWVTDK-JKSUJKDBSA-N 434.566 2.320 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1288099393 AEYCASIMSNCSRY-JLTOFOAXSA-N 437.520 2.114 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1288144137 BTWRJBHNZRPZKW-GOSISDBHSA-N 444.532 2.047 30 10 IEEE C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)N(C)C1CC1 1288607407 QZTRAKXNRGIWTG-CZUORRHYSA-N 448.369 2.258 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1289636852 HMXUCCUHQVAVMV-SFHVURJKSA-N 433.472 2.343 30 10 IEEE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c(C)nn(CCC#N)c1C 1296055818 XLEBTFLEWCERSX-SFHVURJKSA-N 428.489 2.048 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1cccc(F)c1 1298025075 ASGNZTIFMXQVJT-DFQSSKMNSA-N 428.512 2.343 30 10 IEEE CO[C@H](Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C 1299722539 BKKWSSNTMMCYGB-VIZSFHNOSA-N 446.596 2.166 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1300282712 PLIOJYGTAPIDJB-JTSKRJEESA-N 442.495 2.222 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300399010 FOMSVHSVIYQNHY-KRWDZBQOSA-N 430.530 2.143 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1300493165 RUXVOKNPTLSMSV-INIZCTEOSA-N 449.964 2.300 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300493870 WUOPQUKPBLHLGD-PMACEKPBSA-N 427.574 2.085 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1300496269 PBIRUUIJKOKRTK-SJLPKXTDSA-N 434.587 2.217 30 10 IEEE C#CCN(c1nnc(COCC)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300503127 ARQHDGKWRKFBFF-GOSISDBHSA-N 434.537 2.213 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1CCCO 1300583421 HNXVDKAERAVBLK-LJQANCHMSA-N 441.526 2.457 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(O)cc2)CC1 1300684879 BXRNONSCNSAZHJ-DEOSSOPVSA-N 439.560 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1300726867 SGFRYWMBISDCQF-MRXNPFEDSA-N 437.544 2.187 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC[C@H]21 1301593591 QEWKAYXEOQANNC-IAGOWNOFSA-N 432.546 2.455 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)o1 1302991346 GBNPNUVAZKNZEY-CHWSQXEVSA-N 443.451 2.472 30 10 IEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1303267701 FZGVWTYUOODILV-IBGZPJMESA-N 439.564 2.161 30 10 IEEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cnn1CC(C)C 1304118507 XSJZFITUGAXJRM-NVXWUHKLSA-N 433.582 2.128 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 1304250907 WAYXLQFZLFHSTI-QFIPXVFZSA-N 425.489 2.236 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CC(=O)N1C 1305204812 BSVLXPYMXBTWAN-MRXNPFEDSA-N 426.521 2.211 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1313468048 GFPIDDIQWLGTMX-UHFFFAOYSA-N 447.547 2.229 30 10 IEEE COC[C@@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1315809916 CCBVATRTLUQEAP-HNAYVOBHSA-N 438.866 2.288 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(-c2ccccc2)no1 1316209864 MAGPFRSGIXBOQP-VQIMIIECSA-N 438.488 2.434 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)C1 1316241950 ZSBHXKOIIBNNGW-FQEVSTJZSA-N 441.532 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCCS1(=O)=O 1358873032 BVGARSNMZQRUTH-GOSISDBHSA-N 427.574 2.242 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1358885988 VLNGMJJFEOSAGO-CYBMUJFWSA-N 434.529 2.341 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358955336 KBCRHBDPXLNZGQ-RTBURBONSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358962799 XKLXKEIGTMABLC-OAHLLOKOSA-N 439.463 2.244 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1359033980 XTNKUQSIBZINCU-JOCHJYFZSA-N 435.551 2.481 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(=O)NC 1359102003 VKEBRROFNSSTJB-VGOFRKELSA-N 437.548 2.070 30 10 IEEE C=CCCCCn1c(COCC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1359206460 FVSTVXFKJNTNAE-UHFFFAOYSA-N 425.541 2.244 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359301599 DBSWTLYSBCTXRL-KRWDZBQOSA-N 439.495 2.386 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359306387 DYTCAHBBNLUXBY-CUWPLCDZSA-N 441.532 2.351 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nncn2C)C1 1359314143 WUIIIUDKRBDXFX-CQSZACIVSA-N 447.341 2.004 30 10 IEEE CC(C)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1359596475 LBQGEFYYRZUVAR-HOTGVXAUSA-N 434.541 2.204 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1435127732 JHYXKIOMHMCIRO-LJQANCHMSA-N 426.542 2.096 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 1440759502 FGLDEJLJVLFIQU-UHFFFAOYSA-N 431.250 2.169 30 10 IEEE CO[C@]1(CO)CCCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1453044718 QHSADCTVDCEUJO-WMZHIEFXSA-N 429.517 2.392 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 1454953202 CFWFPMCFPMQMDN-KRWDZBQOSA-N 435.546 2.133 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN[C@H](c4ccc(F)cc4)C3)C2=O)cc1 1455439640 CBUVLTQFVVBVHV-PMACEKPBSA-N 435.459 2.075 30 10 IEEE N#CC1(C[C@@H](O)CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCC1 1459477221 GUDLEPJWSOEQTO-QGZVFWFLSA-N 436.350 2.417 30 10 IEEE N#Cc1cccc(C2(NC(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CCOCC2)c1 1461653067 RTHQPTZGBZAPQH-MRXNPFEDSA-N 445.566 2.281 30 10 IEEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 1463899355 ORVYSCLTHWOUJC-YWZLYKJASA-N 441.534 2.209 30 10 IEEE CSCC[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1nnc2ccccn12 1468292319 CKNRKOBETUFTKN-GOSISDBHSA-N 436.545 2.322 30 10 IEEE Cc1oc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1S(=O)(=O)N1CCCC1 1471225878 DGXMWKJDOLUUAA-UHFFFAOYSA-N 446.504 2.346 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CC1 1478113346 CGQIXBNERSJLGF-UHFFFAOYSA-N 441.513 2.061 30 10 IEEE CCn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1502226753 HQQCCOZTJGOLKQ-HXUWFJFHSA-N 443.508 2.055 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1502468576 BLEZGTGEIHYQDA-RBUKOAKNSA-N 442.545 2.027 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC(F)F)c1 1504124007 FTORBAJKCQWQSG-NRFANRHFSA-N 448.474 2.474 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1504321113 BLOAXFKJXCXOBD-UTKZUKDTSA-N 428.468 2.010 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1507552120 KXXOWGSHKFCVQG-UHFFFAOYSA-N 426.565 2.156 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1507721129 YUAXPWADMRLWNF-LGVFNWMJSA-N 445.608 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(CCOC)CCC2)CC1 1507737700 CCGYNIWZUNBPKM-FQEVSTJZSA-N 443.592 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CC=CCO2)CC1 1507743107 ZIKRIXKOWZTWEW-HXUWFJFHSA-N 437.519 2.319 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1507830047 TVZJTITZJXEZGP-LJQANCHMSA-N 438.532 2.053 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1507857205 JXZUIXYWNDGAEU-INIZCTEOSA-N 440.976 2.481 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)=O)CC1 1507965786 VFRVLKWIZWYNNV-NRFANRHFSA-N 441.532 2.488 30 10 IEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508065685 UTCXSWDTWAPBCH-UHFFFAOYSA-N 440.548 2.234 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508141823 OWEYKYQTRQUSIX-CQSZACIVSA-N 435.516 2.219 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1511972914 AHJXQHGWNMGKLP-VQIMIIECSA-N 438.532 2.211 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1515635784 ATDPBHKKAQSPNI-UHFFFAOYSA-N 441.499 2.119 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1516835689 DYKQMDYXEHWKLJ-UHFFFAOYSA-N 434.541 2.077 30 10 IEEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCCc3nc(C#N)ccc32)C1=O 1530439469 VSWNLQUDGYNZPL-OAQYLSRUSA-N 441.850 2.492 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCc3nc(C(=O)OC)ccc32)ccc1F 1532056931 LZTCKMODCXMHGG-UHFFFAOYSA-N 433.461 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCS(=O)(=O)CC1 1538987641 VKIBJZRITACPTP-ZDUSSCGKSA-N 440.928 2.135 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539049145 IBOPVPHFWWFVKC-MRXNPFEDSA-N 449.353 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1COc2ccccc2O1 1539337375 HZDBZTILYYVBMB-IPJJNNNSSA-N 436.512 2.305 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](c3nccs3)C2)nnc1[C@]1(OCC)CCOC1 1539530708 MGDRQMOSNXBAKG-UZLBHIALSA-N 449.602 2.331 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCOCC1 1539645606 RKECNJWIRPCVDQ-QFBILLFUSA-N 431.562 2.478 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1539800054 VOKURQGMLFVPAE-GFCCVEGCSA-N 429.930 2.018 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539912109 CRQCLIBFEMWECM-UHFFFAOYSA-N 439.564 2.147 30 10 IEEE C=CCn1c(N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1540860783 LMMRVRIOBFJUES-SELNLUPBSA-N 433.597 2.442 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1540861903 KYSULWSMBDXXPP-INIZCTEOSA-N 449.515 2.434 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1540890347 DAKJTYXFULIYIZ-SFHVURJKSA-N 432.546 2.419 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC)[C@H](C)C1 1540900336 SBXCNCOLLDBXHD-QGZVFWFLSA-N 433.578 2.085 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 1541034050 WEIYPBYFZIBGJW-UHFFFAOYSA-N 426.494 2.208 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)F)C1 1541223393 SLOHETQUPPWWQE-FRRDWIJNSA-N 430.431 2.340 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCO[C@H]2CCOC2)CCOC1 1547899809 DWTRDOVFOLUDQO-VLCRHTCISA-N 433.553 2.256 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1555198622 NFXBODSZMUPABU-WSTZPKSXSA-N 427.505 2.005 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1570842620 OBFMKMHMULRYJW-KBPBESRZSA-N 434.459 2.491 30 10 IEEE CCOc1ccc(N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)nn1 1585401353 KZGVNRNGNLYVOX-MRXNPFEDSA-N 432.525 2.111 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CCN1Cc1ccccc1 1585916632 JEYDGMZGNMZMBF-DYXWJJEUSA-N 433.430 2.034 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1587561736 HUJOBDCIDFPWKG-MJGOQNOKSA-N 430.574 2.218 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CC(=O)N(CCOC)C1 1587603198 HOMKXVPOLWGDFO-ROUUACIJSA-N 432.528 2.446 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@]2(O)CCO[C@H]2C)c1 1587692477 FQNMAHYPKMKKCT-GAJHUEQPSA-N 425.533 2.073 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1587823606 VIMWRFWHRLZZLD-IBGZPJMESA-N 445.589 2.470 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)c1ccc(OC)cc1 1588138276 BNIHMGHNSDCVQE-ICSRJNTNSA-N 440.569 2.455 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1ccnn1 1588315040 YPHUTWIAYWQADF-UHFFFAOYSA-N 445.531 2.206 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCn1cncn1 1588595418 SWXSEAKILGFCCQ-UHFFFAOYSA-N 436.339 2.147 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(C)cc(OC)c2)CC1 1588968668 OMNOJKOOWRJZRE-UHFFFAOYSA-N 425.533 2.146 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)CC1 1593721968 IBCKRSCUUZARHZ-UHFFFAOYSA-N 429.521 2.271 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1594963889 ZEFIZBPLCMIRBO-VQIMIIECSA-N 445.589 2.379 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1)C1CC1 1595054936 VBUSJJOBPUEBBK-MRXNPFEDSA-N 435.594 2.174 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@@H]1C 1595260734 LXCBODNBAIHUIE-SZMVWBNQSA-N 435.550 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595773031 NCEYPDVNMMLWHQ-KRWDZBQOSA-N 445.589 2.165 30 10 IEEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCOCCS(C)(=O)=O 1597169133 SCNLZIFHAMTDEM-MOPGFXCFSA-N 445.589 2.380 30 10 IEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1607889335 GRKYMDJYPAFBKJ-UXHICEINSA-N 437.548 2.482 30 10 IEEE Cc1csc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CCO2)n1 1612360786 WDMLJBCXWLXIPA-MRXNPFEDSA-N 441.517 2.272 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCO1)S(C)(=O)=O 1615620002 DIYAOCUPXQLNAS-LJQANCHMSA-N 446.577 2.104 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1617215138 YDZZDWTWVHXEBH-UHFFFAOYSA-N 434.548 2.262 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1618678381 FEPKVCRMJCTTJA-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1620251548 ATQHINOGSKUIKT-SFHVURJKSA-N 446.602 2.184 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1620615782 FZAUKQPIHYEYBX-INIZCTEOSA-N 446.504 2.049 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nn(CCS(=O)(=O)CC)cc3C)n[nH]2)c1C 1626406892 VYGDXJCKLGHJGM-UHFFFAOYSA-N 445.549 2.268 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cc(C(=O)OCC)ccc2I)CC1 1626964006 MKNCLXNENSNZHL-UHFFFAOYSA-N 442.253 2.460 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 1627061285 DWUFHEZERQJXMI-IRXDYDNUSA-N 435.546 2.020 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)c1 1630383570 SOCHNZTYFMRAIC-ZDUSSCGKSA-N 435.527 2.138 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 1630490304 VYIJSFOUYBNHHV-IRXDYDNUSA-N 435.546 2.375 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 1631611145 RGUYYYMJQIXWCB-UHFFFAOYSA-N 427.526 2.494 30 10 IEEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1634201585 XELGSZXTDJKMPB-LJQANCHMSA-N 434.562 2.234 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)=NO1 1635881982 IVNOPIUAUITWOS-INIZCTEOSA-N 431.468 2.016 30 10 IEEE CC(C)C[C@@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1636714728 YBQVNMQDLJVMPP-UXLLHSPISA-N 426.542 2.453 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(Br)cc(I)c1 1637667990 SAGPAOMMSYHLBL-JTQLQIEISA-N 439.047 2.164 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C(=O)OC 1638401312 LFTRKHVKFUZRDL-UZUQRXQVSA-N 427.501 2.390 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1 1640928455 KXXYIJRBEOUNPI-SFHVURJKSA-N 447.557 2.379 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(I)cc2N)CC1 1641698117 DTAUITBNYFDXFI-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 1641828196 KNXNWXMNZMHKEY-KXBFYZLASA-N 435.509 2.214 30 10 IEEE COc1cccc(C[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)n2nnnc2C)c1 1641927080 OYZLKFJXOUWPDH-JOCHJYFZSA-N 431.500 2.447 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CC#N)C(F)(F)F 1645927027 RJAYCVKNHXXWAJ-AAEUAGOBSA-N 427.445 2.186 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(=O)c1ccc(C#N)cc1)C2 1649219307 GCYQSJIYEGWNAH-NZSAHSFTSA-N 426.517 2.440 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)c1 1651134953 ZGJJAXCJFLSOEF-QGZVFWFLSA-N 437.880 2.229 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1654388679 HLFXWRUULYJXHD-UHFFFAOYSA-N 445.516 2.260 30 10 IEEE CC(C)(CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@]1(O)CCCOC1 1663278895 FCYZCBGEGCFFST-INIZCTEOSA-N 435.315 2.306 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1665325748 GPYHLCYSLKQJKY-LLVKDONJSA-N 435.296 2.381 30 10 IEEE C=CCC1(O)CCN(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1665489268 NNXIDTMSLCQQLC-IBGZPJMESA-N 433.549 2.190 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)nn1 1668735937 ZCZZQBAAVSCJCS-UHFFFAOYSA-N 440.504 2.201 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC1CCC(Oc3ncccc3C#N)CC1)CCO2 1680304583 SYUMIKYEKZHHOO-VMSUMRPBSA-N 442.516 2.443 30 10 IEEE C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(C)(=O)=O)cc1 1684673704 HHGLDNUHPIKLCF-QAPCUYQASA-N 428.514 2.323 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCC2CC2)nc1)[C@H]1CCS(=O)(=O)C1 1689980518 SZHPFJLVKSSXFO-IBGZPJMESA-N 443.573 2.260 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1689996544 JOLPCEZAJIVLRY-LJQANCHMSA-N 448.614 2.353 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690497366 OEEMEAFNJNVIJM-QHCPKHFHSA-N 443.523 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(C)C)C1 1690662198 UJLNZZUWZVVRGE-OAHLLOKOSA-N 437.342 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690666959 MFVFTRNSQNWZHC-INIZCTEOSA-N 430.940 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690668853 LUVPLYXZUHIONL-WJOKGBTCSA-N 438.557 2.325 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1694228560 DFPUTWGCLJYWNV-SFHVURJKSA-N 438.580 2.375 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1696586385 BWIPXXOUVDLDQD-QUCCMNQESA-N 438.532 2.212 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1696773240 WZVUDBKVNUXHPP-UHFFFAOYSA-N 432.410 2.416 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1697924879 WZYZRGUVYFJRGF-DENIHFKCSA-N 436.520 2.037 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1698224004 ZJRAMWQAPCETQM-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc(C(=O)N4CCCC4)n3CC(F)(F)F)CC2)cc1 1698487871 DBLWLAUDXKVLIS-UHFFFAOYSA-N 447.465 2.270 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705491382 BYRAODVJNFTVCV-PZJWPPBQSA-N 437.592 2.215 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1705491552 DYXQIRDVQPQGQO-DLBZAZTESA-N 428.558 2.379 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)C2CC2)c1 1705506985 NWUIVDJDMSDNKQ-UUOWRZLLSA-N 437.544 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cccc(OC)c1 1705580703 OWJKZXZWSHETAD-UHFFFAOYSA-N 428.496 2.160 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705630283 MYAOHHZDTOAADJ-SFHVURJKSA-N 443.514 2.360 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705679427 NMHBJRIIVIGJHF-OLZOCXBDSA-N 442.314 2.219 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705830015 IAXXVZNOOYHAEO-UXHICEINSA-N 446.596 2.347 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705902510 GGVDMQQKUPAVCL-WMZOPIPTSA-N 444.511 2.404 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1705915014 RPXDMQLXIJXKHJ-VAMGGRTRSA-N 430.597 2.416 30 10 IEEE CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1708521633 PLUGSKKEHDXLSU-HOTGVXAUSA-N 425.537 2.094 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1)OC 1708776796 HTTNAFUAVMDQTR-IBGZPJMESA-N 446.577 2.150 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1711371968 DETMHQFKXBHWFK-QFIPXVFZSA-N 440.573 2.037 30 10 IEEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)ccc1OCCO 1711668077 QBLCMHCDWYFAMM-FUHWJXTLSA-N 429.521 2.196 30 10 IEEE COc1cccc(OCCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1711939455 HUFJZSVGHVXSJT-OAQYLSRUSA-N 434.500 2.470 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1Cc1ccc(C#N)o1 1712545871 DGPBTFVHYIMZHF-SJORKVTESA-N 444.536 2.256 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1722296044 MZHMQBINFRHPNY-ULQDDVLXSA-N 432.546 2.114 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCC(=O)NC(C)C)c1 1722304632 BEMSQWAUWXIYSP-UHFFFAOYSA-N 445.527 2.311 30 10 IEEE C#CCSCCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1722465010 VRSFDDKYXPJJFX-FQEVSTJZSA-N 448.681 2.173 30 10 IEEE C=C(C)CN(CC)c1nnc(COCC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722516775 DLGMJWJVJODNOF-QZTJIDSGSA-N 425.599 2.421 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1722525382 FCPZGOOKEQDNHM-JOCHJYFZSA-N 448.571 2.402 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722527686 QXFAMWKUHFABHZ-UHFFFAOYSA-N 440.548 2.171 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCOCC2)CC1 1722560672 HLBDIBLGNSUEHC-UHFFFAOYSA-N 449.353 2.474 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722727164 MIESQBOSQDPHBW-LJQANCHMSA-N 432.546 2.041 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1=O 1723772870 BNIWEPZVJSYUOZ-KRWDZBQOSA-N 448.535 2.062 30 10 IEEE C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1723848545 GFVSCKXNNBMVQW-LJQANCHMSA-N 430.560 2.412 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1727292739 NPOZQOQBBJJOLD-IBGZPJMESA-N 439.564 2.316 30 10 IEEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCOCC1 1727345062 DJERTNAQBSCZIV-MRXNPFEDSA-N 438.598 2.225 30 10 IEEE CCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)n1 1728073795 HZWDKTNEENTTIY-OAQYLSRUSA-N 428.516 2.196 30 10 IEEE CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCC[C@@](C)(C#N)C2)c1=O 1728539349 FNLYPQOEQAEEFA-VGSWGCGISA-N 428.537 2.362 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2([S@](C)=O)CC2)c1 1740565367 TVFOYVDAAAWWFS-OKXSDPAFSA-N 441.557 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1740654959 UQQAJVVUNVZZAM-HXUWFJFHSA-N 442.514 2.083 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740691783 DCHNKGIYQSZAAJ-MHECFPHRSA-N 439.560 2.269 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740795301 RTARQLJVGQYJMN-IBGZPJMESA-N 443.523 2.363 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1740932646 SFQNWSAVMUFWRB-QGZVFWFLSA-N 435.594 2.198 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1741003728 BUJJLKXANLBWQI-HXUWFJFHSA-N 433.603 2.198 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748761270 SHDPDLDSUMMRNZ-NRFANRHFSA-N 425.533 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748848439 FGOATBJEDQNFCJ-UHFFFAOYSA-N 427.512 2.479 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749044749 TUIDXKNHUNKPIV-PKOBYXMFSA-N 440.573 2.123 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CC1 1749342647 KMLGXIUOVNOCHJ-SFHVURJKSA-N 438.594 2.168 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749447916 PUOVBHBKTXIUJA-HSZRJFAPSA-N 441.532 2.414 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1749477966 BRWRQXVZPWKBFJ-GOSISDBHSA-N 447.561 2.026 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CCCO 1750061842 ADWAKAPQGOKPGE-APWZRJJASA-N 427.509 2.296 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1N(C)CCCC1(C)C 1760170687 MNWYMGNULFROFP-IBGZPJMESA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185798 DTVNFWKVYVIYQT-AZUAARDMSA-N 446.548 2.061 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760186574 DROYSJRZKQZZLA-AZUAARDMSA-N 433.622 2.294 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccn2C(F)F)CC1 1760256507 YHXAYYMYIBSFSX-UHFFFAOYSA-N 442.430 2.248 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1760269848 DQOKAMVENQDKSC-KRWDZBQOSA-N 446.596 2.309 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760279890 ARSPGOYGBGDZIP-JXFKEZNVSA-N 440.635 2.188 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1760295053 MPJMDZASKUSJHF-VGOFRKELSA-N 445.564 2.494 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccsc2)CC1 1760356818 XQMZNRBDVRQGDP-SFHVURJKSA-N 430.578 2.206 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1760464911 RQZVMHABOZSZHJ-QGZVFWFLSA-N 439.969 2.243 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1761363336 LZMJLZJYZQJODH-ZBFHGGJFSA-N 445.545 2.474 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1766370254 DTMMRXUONSRCQY-FQEVSTJZSA-N 449.559 2.038 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC(F)(F)C1 1766725365 NEJGUZPOBOBIRH-UHFFFAOYSA-N 438.504 2.238 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1767248895 OXWQZUFWDYZAHX-PGRDOPGGSA-N 427.505 2.007 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1768758584 GADOSLVYFFMWRQ-QHCPKHFHSA-N 448.531 2.247 30 10 IEEE COCCN(C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769779481 RBLNZGSMLRRTGU-RTWAWAEBSA-N 446.559 2.447 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCOCC(F)F)cc1 1771534502 DCIZLFMBBWMRTB-HOTGVXAUSA-N 449.414 2.125 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1850495271 OJHSEMLZVFUKRE-FQEVSTJZSA-N 432.590 2.195 30 10 IEEE COc1cc(C(=O)N(C)c2snc(N3CCOCC3)c2C#N)ncc1Br 1851186806 QJOSGLHUKDXYEO-UHFFFAOYSA-N 438.307 2.294 30 10 IEEE N#CCCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851473832 GLFIURZVBOCJAU-QFIPXVFZSA-N 425.554 2.271 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c(C)c1 1851523101 SOVJZVHXCPVUSV-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@@H]1C 1854312852 OVANFRWXGHVLLL-MAUKXSAKSA-N 439.965 2.129 30 10 IEEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855740111 OHPRNELWFHODHD-KGLIPLIRSA-N 425.457 2.132 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(OC)c2)cc1 1859011342 ZNMMSMOQFHBJKX-UHFFFAOYSA-N 448.497 2.034 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)c1 1862740664 GHMHORGWZJZPBC-IBGZPJMESA-N 439.424 2.318 30 10 IEEE CCOC(=O)Oc1ccc(C(=O)N[C@@H](CO)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867306609 VMRYESAYLFJTKI-MOPGFXCFSA-N 425.441 2.002 30 10 IEEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cccc(N(C)C)c2)cc1OC 1870098673 PWWOWARNQKOTLX-UHFFFAOYSA-N 428.474 2.023 30 10 IEEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1ccc(C(=O)OCCC)cc1 1872679231 DWPMCHCVOFJQKL-UHFFFAOYSA-N 428.445 2.468 30 10 IEEE COc1cc(/C=N/N=c2ccc3nnc(C)n3[nH]2)ccc1OCC(=O)Nc1ccccc1 1873792474 GZQDKXYTVBORIA-YDZHTSKRSA-N 431.456 2.327 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2O)cc1OC 1874219695 ZJKAPPWXRYNJAK-FSJBWODESA-N 441.513 2.246 30 10 IEEE COc1ccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1O 1874277462 SUMPPAQZIVOFHN-HJGVYBFFSA-N 447.561 2.463 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1908505528 LRNKJLSYDAYUCG-BZUAXINKSA-N 440.541 2.060 30 10 IEEE CC1(C)OB(c2cncnc2N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)OC1(C)C 2116069116 MPBSUECPXBWPSS-RTWAWAEBSA-N 436.365 2.256 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2124523126 BTHBMILRAKHGQM-HNNXBMFYSA-N 449.361 2.388 30 10 IEEE C[C@H]1COC[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N1C(=O)OC(C)(C)C 2141666136 UOQMDZPUCRIVLA-GOEBONIOSA-N 447.341 2.344 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237411400 ZTUDHTUUPKZWLD-HNNXBMFYSA-N 439.306 2.431 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255617838 WUEQUDLBNLVDSB-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255697044 CNBHDOWOFQOOKH-HNNXBMFYSA-N 433.358 2.311 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826704 RGCDKPFLYCNKDZ-ZIAGYGMSSA-N 434.346 2.132 30 10 IEEE Cn1nc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267133036 XMURUYLWCHEPTD-HUUCEWRRSA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267139987 NDVZGAWDZSYOMO-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CC2 2267145053 DCZCJGMRLKCJEN-OAHLLOKOSA-N 446.357 2.180 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267165291 CTEIQVVCBJBUKH-MRXNPFEDSA-N 446.357 2.247 30 10 IEEE Cn1cc(C(=O)NCCCC2(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267177182 KLGGUTHPSQMUDB-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE Cn1cc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185460 VOGDGBQMYQSKKU-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1 2267229945 HCNQDMVKCIVATP-JKSUJKDBSA-N 438.255 2.282 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2267451096 LJKAQHLIBRVODR-IBGZPJMESA-N 444.234 2.408 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267491991 MGJAZOQLJGWLNN-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501425 XXQSWFUZALCGJT-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267874250 YIRNQUXRXKFNMI-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268647300 YHOSZVBNGOHONU-HOTGVXAUSA-N 447.341 2.201 30 10 IEEE COc1nc(NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc(N2CCOCC2)n1 2297708371 AAMYPSGMIHVGNJ-UHFFFAOYSA-N 425.405 2.331 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302961196 VRVOAHOAHULDAS-WMZHIEFXSA-N 448.585 2.097 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343647743 HCCWAAYOWZDNON-GOSISDBHSA-N 448.369 2.450 30 10 IEEE COc1ccc(OC)c(NC(=O)c2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)c1 9529996 GPBSAGOWTROENY-AEFFLSMTSA-N 447.538 2.446 30 10 IEEE C=CCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 13794445 NYQIODGKCHWMFP-ZIPFOMIPSA-N 439.559 2.147 30 10 IEEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 14656857 HYIGLRXXODWWII-UHFFFAOYSA-N 449.554 2.303 30 10 IEEE COc1ccc(NC(=O)c2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)c(OC)c1 20618088 AFGJIWNPBVDDEM-SJLPKXTDSA-N 447.538 2.446 30 10 IEEE Cc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 26477442 HGSDJAIPXDUKDK-INIZCTEOSA-N 430.505 2.339 30 10 IEEE CCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 33467280 CCTQRNNCKAGDDH-BOPFTXTBSA-N 445.614 2.410 30 10 IEEE COc1ccc(C(=O)/N=C(/NCCN2CCOCC2)Nc2cccc(F)c2)cc1OC 46134737 FTYWUUSKXPTSEP-UHFFFAOYSA-N 430.480 2.373 30 10 IEEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccc(F)cc1F 59884648 YIAYPKFDIYKWER-ODCIPOBUSA-N 448.415 2.355 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 439938211 IJMUYBHCNNVEHD-LFGUQSLTSA-N 435.436 2.311 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 460808909 KJWMJYXWSDLSHR-KRWDZBQOSA-N 437.591 2.441 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 466110572 ZRAPSTWXKKSEOZ-UHFFFAOYSA-N 426.448 2.009 30 10 IEEE Cc1ccc(C(=O)NCC2CCN(c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 473304164 ASWSIQPUQYGSAI-UHFFFAOYSA-N 426.542 2.443 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cc2F)c1 481355226 PUFZAIVKBSPGLQ-INIZCTEOSA-N 425.338 2.254 30 10 IEEE CNC(=O)C[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 483422715 RJTJGDJMEUCTTO-FCHUYYIVSA-N 437.519 2.002 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 487385067 CINJVONWQVDEFM-JOCHJYFZSA-N 442.523 2.482 30 10 IEEE Cn1c(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 524620716 CRCHLIYJBONTJT-SFHVURJKSA-N 432.509 2.436 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 555290328 ALFARLUDNIQIBK-HNNXBMFYSA-N 437.508 2.076 30 10 IEEE C=CC[C@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 559239624 KTAIQLPBDCYONH-CTNGQTDRSA-N 435.572 2.309 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)CC2)o1 568315279 DPYBEKJGFVCKCZ-ROUUACIJSA-N 449.511 2.107 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 578700414 UVJYQVCHYXRUPR-PMACEKPBSA-N 445.589 2.475 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCC(=O)N(C)C)CC1 578770926 WUQOSDLKRZGVPV-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE N#CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCCC1 580500959 GDZOKQLLWOUDPA-GOSISDBHSA-N 437.587 2.257 30 10 IEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N(C)CCOCc1ccc(C#N)cc1 583109927 CLKRDGPTVIOXDJ-UHFFFAOYSA-N 438.528 2.150 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(c2nnc3n2CCC3)CC1 588111151 CMKNBSNPRHIKLN-UHFFFAOYSA-N 436.335 2.427 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)c(F)c1 609404862 VOMOGHJXIBXQQY-UHFFFAOYSA-N 443.236 2.295 30 10 IEEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730137773 IEUXTHWIUWDQRF-RTBURBONSA-N 432.590 2.427 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C[C@@H]4CCCCN4C)CC3)ccc2c1=O 730559973 PJXPITJBXRQBEP-SFHVURJKSA-N 441.601 2.113 30 10 IEEE COc1ccc(Cn2ncc3cc(C(=O)N4CCN(C5CC5)[C@H](C#N)C4)cnc32)c(OC)c1 732649827 TZGMIDPOAOGQCS-HXUWFJFHSA-N 446.511 2.309 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CCN1C1CC1 732664385 NTLLINYMPLZHIM-KRWDZBQOSA-N 428.489 2.439 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1OC 733654379 QGJMETKCBXLGEN-MOPGFXCFSA-N 444.532 2.157 30 10 IEEE COc1ccc(CCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 742585214 CIRKDKNNJZVCKX-HNNXBMFYSA-N 445.541 2.270 30 10 IEEE C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)c1nnc(-c2ccc(F)cc2)o1 746149485 CNPICMIPGUZEKL-GFCCVEGCSA-N 430.417 2.330 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(OC)c(C#N)c1 747446813 ILZDIHQYSJBWIO-GOSISDBHSA-N 440.525 2.481 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 772912581 WILFXRDGXRLLNC-UHFFFAOYSA-N 438.468 2.245 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c(C#N)cn1CCOC 775767589 RJMCSZAISOEBMW-LSDHHAIUSA-N 449.508 2.171 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2cccc(CN3CCSCC3)c2)cc1 780204498 IMNNCXAMZCTAFB-NRFANRHFSA-N 425.510 2.322 30 10 IEEE C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 788093558 BCCJQQJMQUHYNX-UHFFFAOYSA-N 445.544 2.271 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)n1 789794245 ZSXKNXUHWNGDPI-UHFFFAOYSA-N 428.399 2.491 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)n1 790453177 PLYVMEOXPRGSJP-UHFFFAOYSA-N 427.910 2.024 30 10 IEEE CCN(CC)[C@H](C)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 794441219 NGSKIVHYXCZVOH-KDOFPFPSSA-N 445.589 2.116 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802612401 MSVWNFAIOZFYHY-FQEVSTJZSA-N 435.532 2.332 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3C[C@H]3CCCO3)CCO2)c1 802691047 XUNMACRZTSPIHU-UXHICEINSA-N 436.516 2.143 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 806860963 ZTEVMCRHZOMDCK-MOPGFXCFSA-N 444.532 2.069 30 10 IEEE CC(C)(C)OC(=O)NCC12CCC(CC1)CN2C(=O)CCN/C(O)=C1\N=CC=CC1=O 808258528 NEOXAJUHIYJJDV-VHEBQXMUSA-N 432.521 2.199 30 10 IEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 1084304899 KACQYWHLCYRUTH-UHFFFAOYSA-N 425.518 2.245 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)cc1 1132098257 HZSACBONZFEPPR-SFHVURJKSA-N 430.555 2.122 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1137092693 CYYWDHQEQNJSHQ-HNNXBMFYSA-N 440.493 2.200 30 10 IEEE C[C@H](Sc1nc(CC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cs1)C(N)=O 1137430604 WBIOAKKNLDXRJV-NSHDSACASA-N 426.527 2.230 30 10 IEEE C[C@H](COc1c(F)cccc1F)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1146909923 GSURUBPXYLXYNB-CYBMUJFWSA-N 437.468 2.367 30 10 IEEE C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1154408563 UGBVWEUYPMTWIZ-VFNWGFHPSA-N 426.517 2.264 30 10 IEEE Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)no1 1178460644 OHZACECNFPLNBE-HOCLYGCPSA-N 428.518 2.413 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@H]3CCCC(F)(F)C3)CC2)cc1 1208271072 DJDIONRKZVQPGT-INIZCTEOSA-N 447.529 2.020 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1286304911 YPMURQCZLLZHET-DLBZAZTESA-N 432.569 2.408 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286336422 RQQDUFNWEBKGQP-UHFFFAOYSA-N 433.438 2.299 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCCC1 1286377298 VFHRAUAOUOQBPH-MOPGFXCFSA-N 446.596 2.388 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(Cl)c2)CC1 1286472147 VRPJOBMXWSTBKR-UHFFFAOYSA-N 430.915 2.110 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286717625 DMQYBCQPQDINNC-AWEZNQCLSA-N 436.534 2.028 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)CC(F)(F)F)C1 1286804532 MGQSHLZJEINFOU-INIZCTEOSA-N 427.475 2.344 30 10 IEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1286826069 VSYPNYNZUFNEDC-GOSISDBHSA-N 445.589 2.402 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1295058734 ZJOCHWHCQQGGPY-IBGZPJMESA-N 437.548 2.036 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c1=O 1295950191 DJDCBNBEAQOTIC-UTKZUKDTSA-N 448.527 2.166 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncc(CC)s1 1300441523 QQABQFOMFABZQZ-UHFFFAOYSA-N 444.586 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)CN1CCOCC1 1300505888 KCIZJFFQVUYFFG-IBGZPJMESA-N 448.571 2.188 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1300631825 WJDMERWGKNRXJD-IBGZPJMESA-N 438.557 2.068 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1300709016 ZUDHOHXBWMCYIB-YADARESESA-N 434.544 2.035 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300778318 SEQPXZDJABFRSJ-GCJKJVERSA-N 444.605 2.413 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301150984 FTBPDGUXQWJUII-NRSPTQNISA-N 444.624 2.373 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1301380350 DLPBGXKAZILEDT-UHFFFAOYSA-N 441.561 2.156 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301491078 DARTWAHPGVELAA-GOSISDBHSA-N 425.533 2.330 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(C(N)=O)CCOCC1 1301952058 GEIDLNRYVRNAFU-HOTGVXAUSA-N 444.511 2.435 30 10 IEEE C#CCN(C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656559 YVQTVEMWEUHGRP-KDURUIRLSA-N 445.560 2.413 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C2CC2)c1 1303835762 DXGUIFBACRVJPJ-JLTOFOAXSA-N 432.525 2.256 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306195590 FEWWEPFCNLTZOG-DQRAZIAOSA-N 435.532 2.002 30 10 IEEE Cc1cc(Br)ccc1Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1307379179 USNAQUWKDVAZJC-UHFFFAOYSA-N 434.290 2.343 30 10 IEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1314834880 DTNSGMALIQOROD-QHCPKHFHSA-N 433.516 2.359 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1316289766 GVQNOFUFQHJZOK-WPPQNOFJSA-N 435.594 2.433 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 1319571627 JEERWBISNOSIKZ-HOCLYGCPSA-N 444.528 2.355 30 10 IEEE CCc1noc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)n1 1355959772 LDVWCFXSQWGJEP-HKOYGPOVSA-N 449.533 2.380 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1358903680 GLTURPOAQDBXPV-KRWDZBQOSA-N 441.532 2.291 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](OC)C1 1358922393 DASGYNPCVNGOMD-SFHVURJKSA-N 431.562 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)CN1CCN(CC)CC1 1358973106 FXNYRXMZGREMQZ-IBGZPJMESA-N 439.995 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1358990740 ZMOMXXGRGFXPGB-UHFFFAOYSA-N 428.496 2.329 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359215714 HYUZHSQQQDRIIH-RTWAWAEBSA-N 438.576 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359331025 KSPCMVOZMSZHQO-MSOLQXFVSA-N 431.562 2.112 30 10 IEEE CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1360841915 MQKIKIVMVBRBGB-HOTGVXAUSA-N 432.525 2.115 30 10 IEEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1437641388 RFQUDHGYTWEUNN-OAQYLSRUSA-N 429.546 2.159 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3C(=O)Cc4ccccc43)C2)C1 1442760677 UYRPJZISJLTMQN-JZGPVCMCSA-N 438.528 2.479 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)s1 1447805928 SPFNBDPUPWADBR-BLLLJJGKSA-N 440.509 2.355 30 10 IEEE C#C[C@@H](NC(=O)c1cc(OC)c(S(N)(=O)=O)s1)c1ccc(Br)cc1 1450277488 VDWHAGBXBLRQTP-LLVKDONJSA-N 429.317 2.271 30 10 IEEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C(=O)OC 1451183775 WISAQWFORHJEHV-OAHLLOKOSA-N 447.340 2.075 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1cccc(C(F)(F)F)c1 1462997911 LSKMUZZHDXETGE-KSSFIOAISA-N 438.431 2.210 30 10 IEEE Cn1cc(I)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)n1 1464799909 DIKGTGMRMBZBBW-UHFFFAOYSA-N 435.269 2.249 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CC1 1470095181 AFYHWXSNYWMZRQ-UHFFFAOYSA-N 445.566 2.291 30 10 IEEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(Nc2ccccc2C#N)CC1 1473684103 YVRXMZYKUNMAGM-HNNXBMFYSA-N 427.530 2.109 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1Br 1475351090 CBIJDAHKPYUVOP-CVEARBPZSA-N 429.336 2.309 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)O1 1497491062 IQBGEDXLXLMGIH-GHTZIAJQSA-N 429.546 2.399 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@](C)(O)c1ccsc1 1499163912 CGXLZMMPLLXQLI-BTYIYWSLSA-N 438.561 2.186 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)cs1 1504652914 CVJQVPLFHCWZEV-ZDUSSCGKSA-N 425.518 2.168 30 10 IEEE COCc1nocc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1504658793 GLYQHNQYOSBAPC-HOCLYGCPSA-N 442.451 2.469 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1Cc1nnn(C)n1 1504875329 BAEHYHWLNCFETJ-UHFFFAOYSA-N 435.536 2.107 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCSCCCO)CCN1C1CC1 1505323002 CUFXZUOJGDSEBT-IBGZPJMESA-N 444.580 2.300 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507630276 VZAMLIRKIRVVCV-SIKLNZKXSA-N 439.541 2.013 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1507713942 CPANCCWUFHBJNB-NFBKMPQASA-N 444.507 2.420 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1507839256 BIKUNKBMZRGDMD-HXUWFJFHSA-N 438.536 2.375 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2)CC1 1507884821 MSUBSHFWRJTNFE-IBGZPJMESA-N 449.552 2.149 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)[C@@H](C)CCC)CC1 1507901500 AKTAMLOWSHCWDS-WMZOPIPTSA-N 437.610 2.135 30 10 IEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507959269 KVBQMBQTCNERKE-UHFFFAOYSA-N 438.532 2.367 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2)C1 1508119037 ZHANKDKFYUNMOI-HKUYNNGSSA-N 433.578 2.221 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1508698826 ADCHKRRVZNWNLW-RCCFBDPRSA-N 435.594 2.371 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCc2cccnc21 1510171537 ACEUNOALZJNXIQ-MAUKXSAKSA-N 443.577 2.143 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCn2ccnc21 1517451343 HQGSCCNBKKMWAF-APWZRJJASA-N 432.532 2.409 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC[C@H]1C 1518633461 MCZBCQSJFPSZEZ-NSISKUIASA-N 427.505 2.005 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C#N)o2)CCO1 1518921748 JUGHJEIXKZMECL-GOSISDBHSA-N 439.472 2.327 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1519162738 HJDJHXKDRQLDFF-SFHVURJKSA-N 446.515 2.155 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CCOC(=O)CNC(=O)C(C)(C)C 1525365681 PCSKIMWNPDFSIZ-UHFFFAOYSA-N 441.278 2.330 30 10 IEEE Cn1c(=O)c2cc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)n(C)c2n(C)c1=O 1532912476 TVNFAOYRXLQDJK-UHFFFAOYSA-N 427.464 2.294 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cn2)cc1 1536216399 HGVCDVQDYMRLAX-UHFFFAOYSA-N 449.536 2.286 30 10 IEEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CCO2 1537523820 OSHSCJGWPRNHLI-KNXBSLHKSA-N 447.919 2.383 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1 1538301663 HBPFLFJQSJOTGB-HNNXBMFYSA-N 448.423 2.265 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCN(C)C1 1539548204 HSOMHVXSTYYQMT-DHIUTWEWSA-N 425.533 2.021 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 1539612135 JFAJMYLVECUMER-RTBURBONSA-N 430.597 2.416 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540036658 QPOPBZHDBJREAY-YADHBBJMSA-N 446.640 2.370 30 10 IEEE CS(=O)(=O)C1CCC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1540336536 LHQPBKMRYLKPEE-UHFFFAOYSA-N 432.502 2.058 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](C)C1 1540869253 GYAHJISBAYYFCQ-INIZCTEOSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1540874699 OPMXHKQZJIEXGI-UYAOXDASSA-N 436.516 2.036 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(C)CN(C)C2=O)C1 1540886549 FRACFJAVSMVELD-UZUQRXQVSA-N 441.532 2.222 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)C1 1540893786 JZBJLEKFDFXFPY-GOSISDBHSA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1540899721 YMLXZNVIRNBGBV-IBGZPJMESA-N 429.546 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc(O)cc2C1 1540902470 KEMCPVFMTPNTPI-IBGZPJMESA-N 432.546 2.389 30 10 IEEE C[C@@H]1COCCN1CCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1545127133 FCKDJWORFGNTRU-LJQANCHMSA-N 437.592 2.495 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1547633296 UTVXIHDQZNGDNL-LPHOPBHVSA-N 436.520 2.250 30 10 IEEE CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1547647058 QHJJFFGESFBYEO-VCASGEJDSA-N 443.596 2.312 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)cc1OC 1547944578 KQSBADOVKGNJON-NYHFZMIOSA-N 426.521 2.427 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C[C@@H](C)O1 1555388760 KMZNIVGCWVHDOE-OLMNPRSZSA-N 433.459 2.481 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 1557182747 RTCFFQGADMJYCJ-JTSKRJEESA-N 441.553 2.415 30 10 IEEE CC(C)(CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(C(F)(F)F)cc1 1564580085 QQTYDIBIWLKMAM-UHFFFAOYSA-N 435.406 2.383 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NCCC3(O)CCN(Cc4ccccc4)CC3)CC2)c1 1565273790 LFSHLTFSPQILII-UHFFFAOYSA-N 448.571 2.202 30 10 IEEE N#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CCCC1 1583396218 XWORIXLIFYDKAQ-IBGZPJMESA-N 447.557 2.447 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN(CC)CC)c1 1588074015 HGXPBFSKGHHIDY-UHFFFAOYSA-N 432.572 2.477 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@H](C)C1 1588154450 CRTJOLNXBFOMCY-OAQYLSRUSA-N 445.571 2.090 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1CCN(C(=O)OC)CC1 1588628566 LBOXNIXTPPWBJE-UHFFFAOYSA-N 426.521 2.213 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589503403 CLCDKSPSTCIPRJ-HKBOAZHASA-N 439.560 2.440 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1594122189 LQHXMMNQVWEGNS-IBGZPJMESA-N 438.532 2.217 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594535529 SCHALGPRXDGZCV-GOSISDBHSA-N 431.562 2.011 30 10 IEEE C=CCCCCn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1594646503 ZNQIATKOVYLTRD-IBGZPJMESA-N 437.610 2.218 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@@H]1C 1595260731 LXCBODNBAIHUIE-JQHSSLGASA-N 435.550 2.020 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccon2)cc1 1595614249 QMOCHVUEVFXUQE-KRWDZBQOSA-N 443.529 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@]2(CC=CCC2)C1 1595755490 XLBSYLNWJMFUNT-JOCHJYFZSA-N 447.605 2.442 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1597124974 WQGYZCHOOIYUHA-QGZVFWFLSA-N 436.564 2.084 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1608308699 XBYAHVQNXCLJQH-PGRDOPGGSA-N 430.553 2.275 30 10 IEEE N#Cc1cc(Br)cnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1611753315 ZUVFVLUNIHSKLY-UHFFFAOYSA-N 431.319 2.107 30 10 IEEE CCNC(=O)c1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)c1 1615931417 PFBNUWNIMXSDEG-OAHLLOKOSA-N 449.515 2.400 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)C[C@H]1CS(=O)(=O)C2 1618171781 MBUIVYXYFIVJDX-APPDUMDISA-N 425.388 2.371 30 10 IEEE COC[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619586656 CTMZTPKNBQJGRU-GOSISDBHSA-N 432.532 2.140 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)CCO1 1619731546 BFMBZKCWRCZDMW-HNNXBMFYSA-N 447.293 2.400 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)CC1 1620073765 AJOYZWNMAJREGR-FQEVSTJZSA-N 426.561 2.110 30 10 IEEE Cc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(N2CCOCC2)c1 1622412623 FVEXRNVLMJRCKI-UHFFFAOYSA-N 431.489 2.198 30 10 IEEE Cn1cnnc1C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1624278597 WTLDTZHXIOZUMM-UHFFFAOYSA-N 429.322 2.292 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)ccc1F 1624728380 GFUMWFDSPXMJIV-QWHCGFSZSA-N 429.514 2.322 30 10 IEEE Cc1ccccc1CO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629484939 GLDYISKUPHOYMD-GOSISDBHSA-N 427.526 2.305 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCN(c3cccnn3)CC2)C1 1634079567 JTGPPOBJZOKNML-UHFFFAOYSA-N 441.333 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C(F)(F)F)CC1 1634681709 GIFSRKUCDWAOEE-ZNMIVQPWSA-N 433.475 2.461 30 10 IEEE N#Cc1ccccc1OCc1ccc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)o1 1635131615 GQTJVVHVQJLDGT-UHFFFAOYSA-N 448.357 2.485 30 10 IEEE C=C[C@](C)(O)CC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1641030606 PZZSAYVYDUUKOY-QFIPXVFZSA-N 427.505 2.264 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(O)Cc1cccc2ccccc12 1654826496 XMTWVCJPJLRQEL-AWEZNQCLSA-N 427.482 2.024 30 10 IEEE C#Cc1ccc(S(=O)(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 1655215734 MEUDPEHGJGDJLH-UHFFFAOYSA-N 431.473 2.357 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)c(F)c1 1655721929 BFZNPNSCXKIIQN-CYBMUJFWSA-N 427.379 2.496 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](OC)C[C@@]2(C)CO)cc1 1659750952 PULIWEIRCKJLDN-CVDCTZTESA-N 426.517 2.385 30 10 IEEE C#CCC[C@@H](O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1662179350 YBBBAVVPYQZADF-QGZVFWFLSA-N 447.513 2.400 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)n(C)c1 1662793980 PFFSEYVOTUCAMH-IBGZPJMESA-N 434.514 2.163 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OCC)ccc1Br 1664414802 RJZPYVRVNAFPSA-UHFFFAOYSA-N 443.363 2.344 30 10 IEEE Cc1cc(NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c(C#N)cc1N(C)C 1670675193 BLEKXGHFNBWRCT-UHFFFAOYSA-N 435.532 2.351 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1685067763 BQEQQMSOBJKRQN-UHFFFAOYSA-N 431.522 2.345 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CO1 1686181614 QBCQROMALSVBJS-AQFXKWCLSA-N 431.493 2.493 30 10 IEEE C#CCN(C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1686620784 SSACQMVBHGHCCC-OAHLLOKOSA-N 432.329 2.154 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1689928873 YXGXLHALHYPZKT-DLBZAZTESA-N 430.553 2.384 30 10 IEEE C#CCCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689940973 FXEUKXCIKCVNJC-QHCPKHFHSA-N 429.565 2.227 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689994034 PQOIMCGRQRABMR-OZWAEMERSA-N 434.606 2.453 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1690419595 WXEGKZOXBDJCTF-UHFFFAOYSA-N 426.569 2.177 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690470450 BTXLCNGPZZXOGK-QRWLVFNGSA-N 437.541 2.092 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1690527322 NFLVFDLSRPGKAS-AWEZNQCLSA-N 435.554 2.417 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690669603 JTBFYWZVPCVORT-UHFFFAOYSA-N 425.493 2.083 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1692663189 RZPQAZWMBCABKS-AWEZNQCLSA-N 441.927 2.191 30 10 IEEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1693249982 RDOSAJIOTLCBTG-HKUYNNGSSA-N 446.502 2.338 30 10 IEEE C[C@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)[C@@H]1C 1693882348 CVWDRDZQPMNTGE-HZPDHXFCSA-N 449.602 2.494 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)OC 1693958120 IDTQQWGLNRYNTM-KLHJMIIUSA-N 439.499 2.424 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1695275131 OIAIHNBLLXRBGI-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1695517671 VEBHBMVSPHOGRA-XUTLUUPISA-N 432.488 2.113 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCOCC(F)(F)C(F)F)c1 1698485806 NCAVCTSLFDTGRC-UHFFFAOYSA-N 445.442 2.302 30 10 IEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@@H]2CCOC2)CC1 1698491285 WKMHVBSBXNIXOU-QGZVFWFLSA-N 444.561 2.205 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1F 1705476756 DWQHMPVIVHFAQF-HOTGVXAUSA-N 436.557 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1705477022 IIBLAAPCXWRTAF-JKSUJKDBSA-N 431.924 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1705493100 CFMGOKGVBSHRTP-XLIONFOSSA-N 434.544 2.362 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC(F)F 1705551499 NVJKQBNNHJXHIH-OAHLLOKOSA-N 443.495 2.328 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1705564723 CGNLOUZPHJJDAH-SFHVURJKSA-N 445.589 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CC1 1705581279 ZKDUNJVYBWHIAA-UHFFFAOYSA-N 428.587 2.207 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H]2COCCO2)CC1 1705636440 KDNALBIKTFFPLR-QGZVFWFLSA-N 433.915 2.298 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)C1)c1ccccc1 1705798434 RZLMLJBJOFNWRC-ZJOUEHCJSA-N 425.533 2.298 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705903620 YWRNLWBYNMVCAB-PMACEKPBSA-N 436.516 2.271 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705907039 YHUBAPOLXCIKMJ-VQIMIIECSA-N 429.521 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1705929908 AJLPEMNWVLCXJN-IEBWSBKVSA-N 445.589 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC=C(C)C1 1705937436 TXLOGBLYDVDLFB-UHFFFAOYSA-N 426.546 2.274 30 10 IEEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1708331513 DVMFROFFPSPRHC-XMSQKQJNSA-N 436.520 2.323 30 10 IEEE CC/C=C\Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1709380474 JTCPTEKCWIQTSN-WAYWQWQTSA-N 438.536 2.446 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1710910912 LYXNEBFVCWBZOO-HKBQPEDESA-N 439.545 2.208 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1722361064 CWGYICPBUMFZJQ-GOSISDBHSA-N 436.516 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1722418816 DPPVMXLZDBWBCT-IRXDYDNUSA-N 426.521 2.215 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(=O)Nc2c(C)cccc2C)CC1 1722435235 JAIOSRYSLNZYIL-UHFFFAOYSA-N 429.528 2.351 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722460599 YREQQQFXEBCZST-OTWHNJEPSA-N 449.621 2.254 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)CC1 1722581255 ISGIEDZIDHNXBO-CVEARBPZSA-N 428.649 2.431 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1722665774 BTBWQKFOHRCDTI-UHFFFAOYSA-N 425.537 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722694143 MMOCNPJFIIHFJM-IEBWSBKVSA-N 436.560 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(OCC2CC2)CC1 1722728708 XHAJKADOJWOPSC-SFHVURJKSA-N 438.594 2.168 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C1 1723478148 YNYCFZMMJGHHGJ-OALUTQOASA-N 430.578 2.016 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCCCC1=O 1726402479 DOYXZXIWKNYQRH-UHFFFAOYSA-N 425.512 2.327 30 10 IEEE CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1726813808 KOJQTSPJBOQNBK-HSZRJFAPSA-N 432.532 2.018 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1Cc1cn(C2COC2)nn1 1727410311 LYCRFZIXQPWDPR-MRXNPFEDSA-N 436.520 2.369 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1730724005 JBGUGVUTNYMGIT-GOSISDBHSA-N 427.505 2.355 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1740534133 XFAONAUZBOSBAR-CHWSQXEVSA-N 429.468 2.413 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CC2)c1 1740564108 AXZJXQMYXRBDDW-KRWDZBQOSA-N 441.557 2.037 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C(N)=O)nc1 1740602050 OYPKUPVYPZGOLW-UHFFFAOYSA-N 425.290 2.319 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)nc1 1740678702 PYDNKZQKRXNMDN-UHFFFAOYSA-N 425.880 2.108 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1740706811 DUHICVRYNQTLOY-RTBURBONSA-N 436.560 2.045 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1740956683 XYDOOORZWYWKCC-GOSISDBHSA-N 449.559 2.242 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1740959002 YLNGRHIZTYLZIK-QGZVFWFLSA-N 443.548 2.436 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@](C)(OC)C1 1740988250 YGMFJHOFDVJMBP-HXUWFJFHSA-N 449.533 2.459 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740999996 RJWUFIXJKYCCLU-UHFFFAOYSA-N 436.607 2.025 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741002468 IRQUEBBFDBAGDX-SFHVURJKSA-N 425.562 2.294 30 10 IEEE CC(C)CSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1741592415 PJNUKGBITJZDMT-MRXNPFEDSA-N 429.550 2.433 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCSCC2)CCOC1 1741722748 FLRVIRZBTBERCA-QFIPXVFZSA-N 448.637 2.498 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)c1 1748576142 ASEIVCBBMGXERV-LJQANCHMSA-N 440.548 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1748668276 IGUKYGPZHVPLCY-BRWVUGGUSA-N 430.553 2.129 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccsc1 1748776688 MIXAIIGWELRNQD-FQEVSTJZSA-N 430.555 2.387 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCCC2)cc1 1748843472 FQYFCGXCLIONGJ-JOCHJYFZSA-N 430.556 2.336 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC2(O)CCC2)CC1 1749016942 QQPWKQDPNBOKOY-UHFFFAOYSA-N 439.535 2.279 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749089909 HVNMUUJMWMKDQL-CYBMUJFWSA-N 449.309 2.228 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749123637 GZMQBYKERJZQEN-UTKZUKDTSA-N 441.532 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](OC)C(C)(C)C1 1749729103 BCLMTEQNOXYHBT-GOSISDBHSA-N 434.562 2.416 30 10 IEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1750877730 CRUQJJFETQRDNO-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760148329 WRNXOODHYUAAKY-UHFFFAOYSA-N 434.500 2.032 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760187130 UDOGNMRBBZPPGH-FQEVSTJZSA-N 442.585 2.109 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1760188199 NHSJYIGIMUHSLE-ZWKOTPCHSA-N 438.594 2.352 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1760198798 JFLVRJITJOEFMM-IBGZPJMESA-N 437.544 2.003 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCOC 1760203597 JRTBIEKPHPMSBC-IBGZPJMESA-N 445.564 2.476 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCSCC1 1760226967 PVKKGUVNKCFYCJ-UHFFFAOYSA-N 445.589 2.479 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1OC 1760242680 LIDQYLDDURZZSI-UHFFFAOYSA-N 434.500 2.377 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ncn(C)n2)CC1 1760256911 LPGJQJMVGOTESQ-MRXNPFEDSA-N 440.939 2.004 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1760258136 PXLLOYBPMLAXEE-SFHVURJKSA-N 441.580 2.200 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCNS(C)(=O)=O 1760479995 HHPUUJQOSNDKDJ-IBGZPJMESA-N 444.561 2.133 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1760493859 DBWTUHDRCLXNEN-OAHLLOKOSA-N 433.534 2.152 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1760554896 QCEFLSIFSGIGJP-MRXNPFEDSA-N 441.598 2.135 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760694308 QAUXCCNEVFRSHC-SJORKVTESA-N 443.552 2.023 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1768243198 HDSDNODTHLICQD-OALUTQOASA-N 429.546 2.257 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)C(C)(C)C 1769679816 CKMFRVRCDNUCLF-HXUWFJFHSA-N 440.548 2.458 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1769835152 BGBMOENGPMIROG-UHFFFAOYSA-N 431.500 2.222 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1Cc1cn(C2COC2)nn1 1769842203 PUJAATRMLUJJRX-UHFFFAOYSA-N 442.911 2.176 30 10 IEEE COc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 1770294976 WEUADCGNELKQSA-SJORKVTESA-N 447.561 2.396 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)C[C@@H]1O 1770627930 UVWBZIRVSMUZRN-LYSIVYOWSA-N 425.533 2.487 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1770803933 DDVUWHWMPHTZHQ-DNVCBOLYSA-N 432.475 2.451 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1770874712 XLGBDSZUXHZLCS-UHFFFAOYSA-N 430.472 2.468 30 10 IEEE Cc1nccn1-c1cc(N2CCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)ncn1 1852337757 BMECNSAJZYPNMW-UHFFFAOYSA-N 447.890 2.106 30 10 IEEE CC(C)C[C@H](C#N)CN1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1852635869 KFQSZBXAZXUTGW-GOSISDBHSA-N 428.558 2.239 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cccc(Cl)c3)C(=O)C2)cc1 1854038464 RCAJGNDOZCUOOR-UHFFFAOYSA-N 431.901 2.204 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)cc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854646165 VTHPCTCVLBWXDH-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCn1ccnc1 1857033902 HMCWHTUEZSXPPP-QGZVFWFLSA-N 428.514 2.118 30 10 IEEE C=C(Br)CS(=O)(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 2010580546 NSUVHHZFFWEOHY-OLZOCXBDSA-N 427.361 2.229 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2123519724 VVKCYYJDVXGMMI-HZPDHXFCSA-N 425.323 2.385 30 10 IEEE N#CC1(CS(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)CCOCC1 2207112904 CJSFAAFEAOZRHL-IDYZSHNDSA-N 433.530 2.074 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2227474865 SUZSZSIFPXGFJU-GPMSIDNRSA-N 425.323 2.043 30 10 IEEE C#CCN(CCO)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229113478 HQGHTSIRQCREIP-MRXNPFEDSA-N 425.323 2.339 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674071 DZIWDAYETSIOIR-LBPRGKRZSA-N 425.360 2.219 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCC1 2255633010 VHNPMZGMIAPIAK-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE CCN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255698703 RXUZUQKLIKLUEP-UHFFFAOYSA-N 431.342 2.462 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255825509 AOPYXXIZMLNYKD-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2267170764 ZZRCUVBAYRNASI-FXAWDEMLSA-N 436.365 2.416 30 10 IEEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2267173885 AZCVJMSJOVCMIR-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267183798 IHLFTTRAJUQRIA-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCn1cc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267497069 IORQNTNJJYANER-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2267500426 ITPUQLJJRQHMHY-FOLVSLTJSA-N 447.316 2.115 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504326 QWJOGRBNLVUJCU-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267519444 JDQGPWZTCVTLAW-OALUTQOASA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267590996 VYNUAVFKBZZLPG-UHFFFAOYSA-N 449.357 2.042 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267598851 GSWKROZLBYTOFH-BHYGNILZSA-N 445.369 2.452 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c1 2282127566 ZMGPMYWYPZFEQH-OAQYLSRUSA-N 449.404 2.498 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccnc2)C1=C(O)c1ccc(Cl)cc1 2296088886 VBTRECJNTOSBTP-IBGZPJMESA-N 427.888 2.489 30 10 IEEE CC(C=Cc1ccccc1)=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)COC(C)C 2297551170 QLASWBIWAKJUKD-KRWDZBQOSA-N 440.504 2.123 30 10 IEEE COc1cc2[nH]c(C(=O)O)c(C=Nn3c(S)nnc(C(C)(C)C)c3=O)c2cc1OC 2321660838 JBZQCLHOZLTNPO-UHFFFAOYSA-N 431.474 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2334277057 VDILEGLUBGVTFT-QANKJYHBSA-N 444.337 2.429 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 2337298296 FQFMNXFAOQHOPB-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(C1)[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)CO2 2342840834 PCLDCIFAZPTQBJ-BNGSBABLSA-N 448.369 2.447 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)c1ccc2c(c1)OCO2 18760657 QXFUDXCWFRXZRV-DEOSSOPVSA-N 448.431 2.306 30 10 IEEE C=CCNC(=O)Nc1nc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 21773244 WQUBTZVQLKVOJT-UHFFFAOYSA-N 443.529 2.066 30 10 IEEE COC(=O)[C@@H]1[C@H](O)C2=CC(=O)CC[C@]2(C)[C@]23O[C@H]2C[C@]2(C)[C@H](CC[C@@]24CCC(=O)O4)[C@@H]13 256979529 DDHQRXOAZNEFKY-POVFRYQISA-N 430.497 2.095 30 10 IEEE in-vitro CN(C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CCN(c2cnccn2)CC1 435241686 WBTRMIJLWRWMAT-UHFFFAOYSA-N 440.507 2.337 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N(C)Cc3cnccn3)c2)c1 438804133 VRYXQFKYECEADS-UHFFFAOYSA-N 428.448 2.260 30 10 IEEE N#CC1CCC(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 441145205 LBOGOIDYVBLBIC-UHFFFAOYSA-N 447.557 2.305 30 10 IEEE CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446627339 FHGALHDXSIWGHI-XBMUEBEBSA-N 449.577 2.147 30 10 IEEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 468992279 PESJFTAVZLQNFW-OAHLLOKOSA-N 437.466 2.212 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@@H]1CCCO1 477440274 RUVZUNFVMQFOLE-KBPBESRZSA-N 432.567 2.277 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@H]1CCCO1 480938549 VTSNMZSVJBGHOB-QGZVFWFLSA-N 444.553 2.337 30 10 IEEE C[C@H](C1CC1)n1nccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 482437524 DOVPIFPYWFXYEC-OAHLLOKOSA-N 428.518 2.264 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCNC(=O)[C@H]2c2ccc(Br)cc2)c1 483264114 VCOFMYUKSYWPRH-GOSISDBHSA-N 448.342 2.268 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)CO)c1 549090294 VEPAQOSEGPKKDV-HXUWFJFHSA-N 438.933 2.194 30 10 IEEE COc1ccc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F 555749358 SQJJWLKEEOYNBB-MRXNPFEDSA-N 426.492 2.474 30 10 IEEE N#Cc1ccc(OC2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CC2)cc1 559101541 MPWGARQOULKMKW-NHCUHLMSSA-N 439.516 2.464 30 10 IEEE CCCCCCCCCCCCN(C(=O)CNC(=O)[C@@H](C)NC(C)=O)[C@H](C)C(N)=O 585668270 VNELYWSTFKRCKG-QZTJIDSGSA-N 426.602 2.251 30 10 IEEE Cc1nc(CN2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n[nH]1 611431058 KQAJKHALLXWZIO-CQSZACIVSA-N 427.578 2.460 30 10 IEEE C[C@@H]1NC(C(=O)N[C@H](C#N)c2ccc(Br)cc2)=NN(c2ccccc2)C1=O 733253077 FWFQVRQASGPOAQ-BLLLJJGKSA-N 426.274 2.468 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCSC)c1 735970321 ZXYKOZHAJWMYQX-SFHVURJKSA-N 432.615 2.420 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)NCc2ccccc2)CC1 739839071 QWBVSXWXZOSRLK-UHFFFAOYSA-N 429.528 2.017 30 10 IEEE COc1ccc(CCCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 742585217 CIRKDKNNJZVCKX-OAHLLOKOSA-N 445.541 2.270 30 10 IEEE COc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc(OC)c1OC(F)F 744007549 LXBQKJSUOUJAFU-UHFFFAOYSA-N 426.397 2.437 30 10 IEEE COc1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1C#N 746709625 CPXOSDUYTIRKCO-UHFFFAOYSA-N 432.458 2.108 30 10 IEEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 750413250 CHJHXASNWSBITA-LJQANCHMSA-N 443.500 2.125 30 10 IEEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 752161764 KBLCWJKBVHIFGB-NKNMWEKRSA-N 432.521 2.292 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cc(Cl)ccc3OC)c2=O)cn1 752876276 KWDCJUMIMHWCKQ-UHFFFAOYSA-N 425.901 2.194 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)ccc1F 758311685 RFYFLKVBOWPVJC-AWEZNQCLSA-N 438.912 2.347 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)C1 758490711 CZNXKMDCYRQLFD-CGTJXYLNSA-N 427.505 2.240 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 759409060 ITWYKTSURZCNRX-UHFFFAOYSA-N 426.498 2.053 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)c(C#N)cn1CCOC 775767586 RJMCSZAISOEBMW-GJZGRUSLSA-N 449.508 2.171 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 780977993 BTCZMOGYLUTUEK-GOSISDBHSA-N 427.523 2.323 30 10 IEEE CCOC(=O)C1=C(C(=O)CC)[C@H](c2c(Br)cnn2C)NC(=O)N1CC1CC1 783922147 FSJSZKAKPXOQCC-CQSZACIVSA-N 439.310 2.455 30 10 IEEE COC(=O)c1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)cc1 789967381 LOQHIJFBFNSCPW-INIZCTEOSA-N 426.502 2.094 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)n(-c2ccc(C#N)cc2)n1 793070802 DJCXORNHVYPBIR-HNNXBMFYSA-N 431.443 2.472 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2CC[C@@H]2C)cn1 795182095 GXYDLONOULSUGE-USXIJHARSA-N 433.578 2.278 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800773476 JEAZUEPCJURTBI-UHFFFAOYSA-N 438.985 2.493 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2Cc2ccccc2)CC1 802231283 BUQURJZHKBWSHU-UHFFFAOYSA-N 425.496 2.397 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1C[C@H]1CCCO1 802680230 UFXOEVJSOIPYOH-GOSISDBHSA-N 431.562 2.224 30 10 IEEE N#Cc1ccc(N=c2scc(-c3cnccn3)n2CCN2CCNC(=O)C2)cc1Cl 803195099 BPOVJEPORFCIDE-UHFFFAOYSA-N 439.932 2.196 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 804456617 DGIORCYZKCPMLT-FQEVSTJZSA-N 426.538 2.380 30 10 IEEE COc1cc(C(=O)O)ccc1NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807982244 UASISQJHEDOZRX-UHFFFAOYSA-N 428.264 2.249 30 10 IEEE CC(=O)N1CCC(N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)CC1 917699184 FXLVPVDHUKIZII-LJQANCHMSA-N 439.541 2.169 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 920113553 HSRYLAIIWYHKJE-YWZLYKJASA-N 441.434 2.394 30 10 IEEE COC(=O)[C@@]1(C#N)[C@H](c2cccc(Cl)c2Cl)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 1076220073 YVKGSHONDCACAF-RNKNFESXSA-N 434.279 2.341 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3)n2N)cc1OC 1083973914 ITMXDLFEQQNMEX-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE COc1cc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc(OC)c1OCC(N)=O 1132899805 SXBGHGKRSXAQFC-SFHVURJKSA-N 437.374 2.473 30 10 IEEE Cn1cc(Br)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1=O 1135983368 UMLKDBWBORQMOM-QGZVFWFLSA-N 433.281 2.310 30 10 IEEE COc1ccccc1Cn1cnc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc21 1136671272 CJADKCZTGRSJNW-GYHWCHFESA-N 445.479 2.349 30 10 IEEE COC(=O)[C@@H](CC(F)(F)F)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1138083254 LXZMQQAAWINAOI-NKXNIHSHSA-N 433.427 2.383 30 10 IEEE C[C@@H](CC(=O)N[C@@H](C)COc1c(F)cccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1146919138 MXLIFPNNNZIHKY-STQMWFEESA-N 437.468 2.366 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 1165981556 WRFVSEMYLWXCQU-OAQYLSRUSA-N 441.553 2.261 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 1167920747 MNIVOJHFRLZHIB-UHFFFAOYSA-N 436.487 2.484 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)cc1 1264646017 ZRMRNDBKMPKSRG-HIXSDJFHSA-N 446.573 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1csc(COC)n1 1286303615 QZVRMIKYKZHBEG-ZDUSSCGKSA-N 430.559 2.379 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1286449901 AGVYDENVZXVGFS-QUCCMNQESA-N 444.605 2.012 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286503462 GOKMMANSMGLDNZ-KRWDZBQOSA-N 427.578 2.234 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286713973 KFLKFTOGEZAWQN-UTKZUKDTSA-N 434.562 2.207 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286788845 HXOZHENYVMYMKW-FQEVSTJZSA-N 438.576 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CC(F)(F)C1 1286823405 MXVJISXVVKTJCA-UHFFFAOYSA-N 442.536 2.222 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286959050 DBTPEBYZYNBPRV-SQNIBIBYSA-N 440.552 2.021 30 10 IEEE CC(C)(C)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1286997232 JQQQDOTUTUKZBU-NQKFGRBQSA-N 442.564 2.497 30 10 IEEE CC(C)N1CCN(CCCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1290115773 DUUAKSJJZREAKH-UHFFFAOYSA-N 440.548 2.261 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1300310745 ZELVMKOQDHRYNN-UONOGXRCSA-N 446.964 2.227 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300418952 CKOKGDCXILZEFL-IBGZPJMESA-N 432.532 2.009 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300487260 ILEWFQVDWIRNSU-QWFCFKBJSA-N 443.573 2.172 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCS(C)(=O)=O 1300606104 FHMDEXOANHIASH-UHFFFAOYSA-N 441.351 2.220 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1300690139 COWIVFPHYYWDNR-QHCPKHFHSA-N 436.604 2.110 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(F)c2)CC1 1300717123 ZCFYAVUBOYFXJU-QGZVFWFLSA-N 443.523 2.155 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1300732909 FNQDUCCIXHNFJP-WBVHZDCISA-N 426.546 2.296 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1300778323 SHTJZOCGWJYKGC-VQTJNVASSA-N 432.638 2.101 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC[C@H]1C 1300839644 SEIMRDZGOGHLSN-DNVCBOLYSA-N 436.520 2.259 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1300952079 IFKKSCRETDZCRX-GOSISDBHSA-N 437.541 2.353 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NCC 1301271570 WVPACXRAGXXEQA-UHFFFAOYSA-N 447.609 2.331 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCOCC1 1301383125 FYLNRXJFBHHLDA-UHFFFAOYSA-N 449.515 2.021 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 1301508796 VMWGLUIBMRARLC-UHFFFAOYSA-N 440.592 2.295 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)COC)CC2)cc1 1301518953 NSWPSPBUCIMILP-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(Br)n2)CCO1 1303004107 MRGHMCNUOPTSOW-HUUCEWRRSA-N 433.310 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3ccc(O)c(CO)c3)C2)C1 1303199683 MYGHTAMJBWSCAO-OTQYULQBSA-N 429.517 2.330 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCC2)CC1 1312882743 ARQRTFMMYKFACB-UHFFFAOYSA-N 426.926 2.058 30 10 IEEE C#CCN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1352905767 UGJJNAIVMPISKP-MRXNPFEDSA-N 425.348 2.312 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1358933462 URDAEARRLNKACP-SJORKVTESA-N 430.553 2.163 30 10 IEEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358951038 GKSRBFLXYGRMKS-QFIPXVFZSA-N 447.587 2.362 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC(F)F)c1 1358952176 ACSBWCIWSIJNRS-UHFFFAOYSA-N 433.459 2.323 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1358952894 BRPGRWUWMQIZBE-LJQANCHMSA-N 425.533 2.038 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1358959352 HEGFWNWKHAMZDK-KRWDZBQOSA-N 446.598 2.476 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCC=CO2)n1 1359027356 GJMOLEIZGHLWLS-HXUWFJFHSA-N 435.532 2.459 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC1 1359035694 BNALENQSBILGIS-SFHVURJKSA-N 444.580 2.142 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359052176 WUOYZRAHXKIRMV-HXUWFJFHSA-N 433.541 2.285 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1359132964 IPPDPTMKOWHSRY-ROUUACIJSA-N 426.583 2.026 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1359227425 ATYFTLFCHHGVCA-HXUWFJFHSA-N 441.532 2.475 30 10 IEEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359248406 MQMVMCGCLJJUPZ-KRWDZBQOSA-N 426.546 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359293835 BDZURNBWERFHRT-UZLBHIALSA-N 435.532 2.499 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1360470649 SMNZTVTUVACIPP-VHDGCEQUSA-N 437.342 2.324 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCC(C#N)(c4ccccn4)CC3)=NO2)C1 1448425623 BWPGMBJBQIAURX-UHFFFAOYSA-N 425.489 2.231 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccc(Cl)cc3NCC(F)(F)F)C2)c(=O)nc1O 1457199858 LRJVDNRVTPJRRW-UHFFFAOYSA-N 427.770 2.145 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(C)(C)CS(C)(=O)=O 1462696006 COGCPBLVKHZOJM-UHFFFAOYSA-N 447.351 2.285 30 10 IEEE Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)no1 1463857559 BCJFIMUBXOTFLE-UHFFFAOYSA-N 432.278 2.014 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 1464074415 RXUBTLVTTFKVHJ-UHFFFAOYSA-N 445.472 2.376 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1504610685 DKQADSOWKNUCIX-SJORKVTESA-N 431.468 2.103 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1505038609 KVXIPXCSMMSBEU-IBGZPJMESA-N 435.532 2.282 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1505143999 HIAJONYMVUWIJU-LJQANCHMSA-N 429.546 2.257 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCN(C)C2)CC1 1507720044 DJBIOLDUUQPVPK-OAQYLSRUSA-N 449.386 2.074 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)OC)CC1 1507735306 RLCXZANFYSUKAH-UHFFFAOYSA-N 425.533 2.345 30 10 IEEE C=C(Br)Cn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@]1(OCC)CCOC1 1507794623 ZFRAHPKFCKDIOW-IEBWDACRSA-N 441.370 2.436 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1507916860 VFHMVYKSEDEJQI-AWEZNQCLSA-N 433.525 2.059 30 10 IEEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1507995011 BDKOWERYRLDRGF-ICSRJNTNSA-N 433.597 2.392 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508061743 MCAKOYURQHYXJO-IBGZPJMESA-N 430.503 2.076 30 10 IEEE CC(C)(C)CCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508621200 WRHARGMHWGFPAH-VZCXRCSSSA-N 441.580 2.240 30 10 IEEE CO[C@H](C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(Br)s1 1516422750 CNHQKVAAHBEQQM-HNNXBMFYSA-N 438.351 2.461 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCn1cncn1 1517365268 ZBFWMUWWRKTHBH-GOSISDBHSA-N 444.341 2.468 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1OC 1521186275 WBZLNHKGNMLXTH-RLFYNMQTSA-N 449.504 2.323 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[C@H]1F 1533439536 NULYHQQVIICATK-CGTJXYLNSA-N 430.480 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@H]1C 1539001420 AKPXSDJCTIBIJU-VWKPWSFCSA-N 430.578 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1539003295 NOENQSUHCGDLRB-DLBZAZTESA-N 449.559 2.202 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1539034705 HNFPOAOCWLJCFP-XDNAFOTISA-N 433.553 2.348 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1539524391 BFEIRTLPGFWMOF-UHFFFAOYSA-N 429.512 2.492 30 10 IEEE C=C(C)Cn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1539733688 KMCMXAJFEIHHEY-JOCHJYFZSA-N 432.569 2.233 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1539750816 CULFPAGNLHDYCA-IBGZPJMESA-N 442.564 2.495 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539751763 UJMGIDWNCUDEHN-LJQANCHMSA-N 445.568 2.169 30 10 IEEE CN(C[C@H]1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O 1539816251 STSJOELLFPYSFO-SJORKVTESA-N 444.598 2.094 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)OC)c2cccs2)s1 1540025332 AWZHZSGXAZFLLO-ZDUSSCGKSA-N 428.557 2.237 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1540187683 UFVFHCNZHVPYLK-KRWDZBQOSA-N 449.577 2.271 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1540187894 XOSRGZMIBQJHPK-ZWKOTPCHSA-N 434.562 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1540903189 AJHDGURBEJCUOI-UHFFFAOYSA-N 434.562 2.064 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1544345451 HHPPLCLDPLPECP-MRXNPFEDSA-N 428.510 2.141 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1544747289 GXGUTNDAUVLJAS-INIZCTEOSA-N 429.546 2.399 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1552379527 HAUQARGVATUDLF-GJZGRUSLSA-N 434.591 2.086 30 10 IEEE C[C@H](CC(=O)N1CCO[C@@H](c2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1558813328 XWTDFIKEJSQDMY-VQIMIIECSA-N 427.526 2.494 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCO[C@H](c4ccc(C#N)cc4)C3)CC2)C1 1560182907 QPBIFCSMHYUUMS-CVDCTZTESA-N 438.572 2.429 30 10 IEEE C#CCN(C(=O)NC[C@H](C(C)C)N1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1563597683 SRIONWWPQMAFGN-HXUWFJFHSA-N 436.597 2.388 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 1569725181 PNDXZKYOQCCQMP-KRWDZBQOSA-N 428.938 2.405 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)c1OC 1584308197 HTSXKIJJWIKMBF-GOSISDBHSA-N 431.452 2.226 30 10 IEEE CC(C)(C)N1C[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1585143456 OGUCAQXJCIYTTO-INIZCTEOSA-N 448.589 2.049 30 10 IEEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)C(=O)OC(C)(C)C 1587263000 VWHHAEOMJOSMTA-UHFFFAOYSA-N 442.560 2.202 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1587581203 XRJGITWQKLQONO-HOTGVXAUSA-N 432.546 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1587677112 CNTSPUOVLIGYTD-DOWNOZBLSA-N 433.553 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCSCC2)cc1 1588124487 MROPGQDVDBLCTC-UHFFFAOYSA-N 429.553 2.409 30 10 IEEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588434362 YCGAENWWZUXQPB-HXUWFJFHSA-N 429.590 2.337 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CC 1588550611 VXJPBIDQVMAJTK-LAUBAEHRSA-N 434.537 2.120 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCO[C@H]1C 1588581330 NVLXPUMJHPTNKE-MGPUTAFESA-N 449.349 2.334 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1588993191 FXTKOBIYCYJFGE-INIZCTEOSA-N 435.557 2.369 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1594679710 HYXMOIVVMMLRLI-SFHVURJKSA-N 432.594 2.490 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCOC2)C1 1595506659 IKMNUUIYHBEVRX-HXUWFJFHSA-N 435.887 2.036 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NC(C)C)C1 1595714640 OYJXXMLLWWRZFT-FQEVSTJZSA-N 435.532 2.437 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCCC2)C1 1595737754 HODVTMHCZXGVNI-KRWDZBQOSA-N 430.578 2.461 30 10 IEEE Cc1cccc(-c2nnc(N(C)CC3CC(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1612188288 NTBSDZQZOYETBF-XUTLUUPISA-N 439.495 2.359 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1615906050 YFKGOAQNKJLNRQ-IRXDYDNUSA-N 438.488 2.093 30 10 IEEE COc1cc(C)cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1619066736 MVNAIEHTGLFLDC-NFBKMPQASA-N 441.532 2.413 30 10 IEEE COc1cccc(C(=O)NCCn2c(Cc3cccnc3)nnc2N(C)[C@H](C)CC#N)c1 1619330404 BKFQNYQMHZTTTH-QGZVFWFLSA-N 433.516 2.441 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1628204149 NRBGHBLZHVKQQH-LJQANCHMSA-N 426.473 2.322 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)c3cnc(I)c(O)c3)CC2)cc1 1628324867 VRJKQZPXGFEMAH-UHFFFAOYSA-N 448.264 2.221 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1628901421 YFOYCDVLYFGUCJ-OAHLLOKOSA-N 448.296 2.338 30 10 IEEE CN(C)Cc1ccc(C(N)=O)cc1NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1629542708 YVOFHRRVPNNUTC-UHFFFAOYSA-N 428.533 2.436 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1632328977 YQSNHSQZYQSMCE-UHFFFAOYSA-N 430.505 2.023 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)nn2)C1 1633499423 YXTKMONQWKIKOC-UHFFFAOYSA-N 437.504 2.356 30 10 IEEE N#Cc1cncc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 1635325598 FHVJWTKDSVYGAF-UHFFFAOYSA-N 432.811 2.220 30 10 IEEE COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)cc1 1635979041 LXZLXNJCAJIDLR-UHFFFAOYSA-N 438.303 2.498 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)NCC(=O)N(C)OCC(F)(F)F)ccc1OC 1637109396 CDACXRUNSXSOCO-ZDUSSCGKSA-N 432.399 2.128 30 10 IEEE Cc1cnc(C2(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CCC2)[nH]1 1644328015 JUTQSPWDXKLNCM-UHFFFAOYSA-N 427.530 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NC[C@H]3CCCN(CC#N)C3)nn2)CC1 1650833718 FNZBZJUYTKQXJX-MSOLQXFVSA-N 445.568 2.206 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](OC)CC[C@H]3C)nnc12 1651185560 CSZIEXCEPBQAAH-HUUCEWRRSA-N 427.530 2.348 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1F 1653498769 FUGCGQMMAJBJBE-UHFFFAOYSA-N 435.452 2.063 30 10 IEEE C[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654688664 CAGISBTXECBUBN-VGSWGCGISA-N 449.573 2.432 30 10 IEEE COC(=O)Cn1cc(CCN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1654968783 UAWMBPZMQSUECM-AOOOYVTPSA-N 436.303 2.096 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1Br 1661770779 CNFQBHCNTMAGQZ-SNVBAGLBSA-N 430.299 2.139 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(CC(C)C)cc2)C2CC2)CC1 1667965236 GRKKVBHWXBJTFZ-OAQYLSRUSA-N 432.590 2.131 30 10 IEEE C#CCN1CCC(NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 1671634931 MNZJSHRDTGAXMA-UHFFFAOYSA-N 433.574 2.052 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1684181286 XLLZUDIIKAFDAU-SFHVURJKSA-N 433.553 2.321 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)CC1 1684968683 RCFDZVRLLDUKAZ-QAQDUYKDSA-N 429.517 2.372 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1689940149 OZJYGNCQPQIGRU-UHFFFAOYSA-N 449.552 2.318 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2CCOCC2)n1 1690108952 ABBNXWIDODLBLV-UHFFFAOYSA-N 437.548 2.193 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1C 1690196411 JKGJNXMRNMGGTK-JOCHJYFZSA-N 438.557 2.431 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1690264795 DBSAFKKNWNDSNH-UDTLNKQYSA-N 433.597 2.454 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1690474256 YGKDRJVQZOIZKU-UHFFFAOYSA-N 433.578 2.083 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1690503568 GLDKPYGZGJSNFS-QGZVFWFLSA-N 427.505 2.011 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690669106 UNDLHIIKKZSPRI-QGZVFWFLSA-N 435.532 2.437 30 10 IEEE Cc1occc1CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692927604 OSGSEOXRILTFML-DPPKGPFUSA-N 440.504 2.236 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1697044551 FVUBQYZHAHYNQY-NOVUIFNWSA-N 429.546 2.363 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccc(C(N)=O)c1 1698130081 QZLKYKONBMDGIH-INIZCTEOSA-N 426.521 2.279 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1698189177 GWUKDPSJEHFKFU-GOSISDBHSA-N 440.529 2.128 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1698485072 YOZHZSZCKWTLRQ-UZLBHIALSA-N 433.509 2.088 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccc(C)s1 1705487644 BIXKHVLJXGISDV-AWEZNQCLSA-N 432.575 2.090 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705520074 HOKLSSWJOOXBND-UHFFFAOYSA-N 430.553 2.261 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705565137 GQHQRHQONOEBLT-GOSISDBHSA-N 444.557 2.238 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2)n1 1705631449 FTWONJNQTKWSAZ-UHFFFAOYSA-N 448.506 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](OC)C1 1705937772 DOUADFCTEIYDIF-SFHVURJKSA-N 434.562 2.300 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1coc2ccccc12 1706870599 FPVVHPSWWZLYRO-DJJJIMSYSA-N 432.481 2.125 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1707347989 JLXVLHXVPYRRLS-QQMHEVNUSA-N 440.504 2.236 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1710732399 FLJRGXGNNXUMNL-CTNGQTDRSA-N 440.548 2.064 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC[C@H]1C 1712090616 YFLWYPKBWJEYMN-XLIONFOSSA-N 440.548 2.458 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1712510957 USTCOFQOMZHHGQ-IIBYNOLFSA-N 431.562 2.378 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722282665 ZPILDXTXHOVWMF-FCEWJHQRSA-N 429.487 2.272 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722374385 YFBLFKPAPPVLDC-KZNAEPCWSA-N 449.621 2.191 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCCC2)CC1 1722441890 WMMJUHMPKOHKEV-UHFFFAOYSA-N 449.559 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC)N2CCCC2)CC1 1722449424 RTBTWLLVSWAYOH-JOCHJYFZSA-N 449.603 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1722492285 DZWHZOGQUBSIKZ-GUXCAODWSA-N 441.532 2.255 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722605308 CJAXAUDNRZDZCH-GOSISDBHSA-N 435.536 2.152 30 10 IEEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722622255 KLWOQJFKBHIBPF-DLBZAZTESA-N 444.511 2.364 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726507763 SVJZJQZJGHUPIW-MEFWESNSSA-N 428.537 2.323 30 10 IEEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1728130224 XTWDFJPANRZXRP-LJQANCHMSA-N 434.610 2.042 30 10 IEEE CCOCc1nnc(N2CCCC[C@H](SC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1729053355 RVKULIXWOICVCG-IJYGLTAASA-N 434.566 2.063 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccnc1 1730847571 XNTRSPMSQRUFDV-MRXNPFEDSA-N 449.515 2.175 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@H]2CCOC2)CCO1 1731189101 JWFHBVLQBBVEFV-IAGOWNOFSA-N 447.486 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1740556800 GELAQECQKPVVOE-RTBURBONSA-N 436.560 2.394 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCn2cc([C@@H]3CCOC3)cn2)c1 1740564147 CBGCRMAMZZNALM-LJQANCHMSA-N 447.543 2.297 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740566634 IQNYXBDQJNRCNY-SJORKVTESA-N 425.599 2.476 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(OC)c(OC)c(OC)c1 1740615573 HAVCKZYGTCYDSQ-LPHOPBHVSA-N 430.505 2.146 30 10 IEEE C#CCN(c1nnc(C)n1CC1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1740616455 BKNCKUWMEKVRON-QFIPXVFZSA-N 441.601 2.125 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1740687064 ZWWNTZONLWAKKP-NRFANRHFSA-N 445.608 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C/C=C/CC)CC1 1740708552 TVZKSSKQEZLISB-AATRIKPKSA-N 440.573 2.202 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cncn2)C1 1740721089 WTYFPXGYIKYPAE-QGZVFWFLSA-N 428.591 2.433 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1740724731 HXYQIIIQOZMIKO-BBTUJRGHSA-N 436.626 2.001 30 10 IEEE C=C(C)Cn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740785976 KWMNNCUJDLWRAG-VGOFRKELSA-N 445.568 2.469 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740788509 UJJMOHPHJHEKNA-IAGOWNOFSA-N 443.614 2.265 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740804885 GWPIMEJTCDABCP-UHFFFAOYSA-N 444.967 2.451 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740965327 HJJQZNIHIGRNOQ-GVDBMIGSSA-N 448.568 2.171 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](OC)C1 1740986897 KGRWVMICRHXCTC-HOTGVXAUSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740995095 ZSMBFDUOCDFKEF-UHFFFAOYSA-N 449.621 2.203 30 10 IEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740997233 OSKHZFFPFBGHEO-UHFFFAOYSA-N 444.605 2.083 30 10 IEEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1748290762 FBWRUQDPICWNNU-UONOGXRCSA-N 440.957 2.359 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1748667521 VTHXNXGEFBYMEY-IEBWSBKVSA-N 428.581 2.111 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748721968 QXQAOKGGNBOZCV-IBGZPJMESA-N 438.507 2.284 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1748811132 CDNAZPHTRQUCLT-LJQANCHMSA-N 439.516 2.463 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2ccccn2)CC1 1748998893 DFGCYEURJLSIGK-UHFFFAOYSA-N 432.528 2.259 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1749036761 HJXAZCOECRBORA-HSZRJFAPSA-N 436.491 2.375 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1749458027 VJGWNLGRLFMYIL-NRFANRHFSA-N 441.532 2.442 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1749573975 LMNAYYBVZGACJL-SFHVURJKSA-N 426.496 2.285 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1760117657 RVQPKCDXCFLLSM-FRQCXROJSA-N 430.530 2.216 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760119748 CANDHRKMPPAQRY-INIZCTEOSA-N 426.521 2.016 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1760127137 ROYOQRIAIPBCDG-KURKYZTESA-N 434.585 2.085 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760184664 YJDVMRIGDUDFBA-DLBZAZTESA-N 446.504 2.303 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1760184733 YRJOMXRLVLXRKQ-CQSZACIVSA-N 439.335 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCN(C)C1 1760199467 ZTSFOCUNPREQEW-VWLOTQADSA-N 445.523 2.257 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)nc(N2CCCC2)c1 1760217578 HDTNICOJICGZAX-HXUWFJFHSA-N 431.544 2.044 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1760252060 BNZVBXBXAJZALA-NRFANRHFSA-N 434.924 2.402 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nccs2)C1 1760520572 SDKXWJXEPKMBFG-QGZVFWFLSA-N 440.529 2.290 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1760559090 IEKXFJACHPQNTL-UHFFFAOYSA-N 443.577 2.197 30 10 IEEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1760562301 DZRDVTRYOFQECE-LJQANCHMSA-N 440.573 2.307 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1763450918 OCMCHOQKFQMVBM-XLIONFOSSA-N 449.563 2.333 30 10 IEEE CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1766649101 DQVNMMZUBLARSW-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)(C)C 1768083955 HHVANOIERMDAKB-RTBURBONSA-N 437.548 2.434 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768446807 DIYZBKINTWPMBQ-UHFFFAOYSA-N 430.516 2.017 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCc2cnn(C)n2)cc1OC 1768477341 FIEJOTDZJMXBHL-UHFFFAOYSA-N 436.520 2.464 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1=O 1769053922 HSFUGVYMCFRZPR-XZOQPEGZSA-N 433.516 2.337 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)cc(OC)c1OC 1769803770 QFUZGILFPOXDGM-BHYGNILZSA-N 445.520 2.107 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1770282452 STHJXZVHXPZPCE-LEWJYISDSA-N 431.468 2.113 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1770874184 DSDBEXXVWJZCKZ-MRXNPFEDSA-N 435.488 2.091 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1771234284 PLWIJXWUSZMNHZ-NRFANRHFSA-N 448.527 2.375 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789961 HXSSVVUPZQQQIT-SFHVURJKSA-N 430.482 2.442 30 10 IEEE C=CCC1(S(=O)(=O)N2CCC(c3nn(C)c(=O)n3Cc3ccc(OC)cc3)CC2)CC1 1848529589 ZELBRZCVIWEONK-UHFFFAOYSA-N 446.573 2.257 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)C(=O)C2 1851190487 SJBDKGGXKQPYJM-HXUWFJFHSA-N 429.542 2.043 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C(=O)C12CCCC2 1854421170 IOGFFYGALXVHOB-UHFFFAOYSA-N 430.313 2.444 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)[C@H](C)C2=O)cc1C#N 1854625259 PDNKAKRSMUKRDB-CYBMUJFWSA-N 433.436 2.207 30 10 IEEE Cn1cc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c2ccccc21 1856816957 VESPBLUYIQNKJK-QGZVFWFLSA-N 425.466 2.140 30 10 IEEE CCN(C(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N)[C@H]1CCS(=O)(=O)C1 1858203075 LCKSEVRQDTUHIG-HNNXBMFYSA-N 449.554 2.251 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 1861246701 BDIFWJQUNSUKPU-QFIPXVFZSA-N 449.482 2.385 30 10 IEEE CCN1CCN(C(=O)[C@](C)(CC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868796815 XMYILJGSXPHAER-CVDCTZTESA-N 445.633 2.474 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCOC)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622117 AVHXKKZDIRFAPS-UHFFFAOYSA-N 425.537 2.353 30 10 IEEE C=CCN(CCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1985018065 PFKJFLWBHQKHLL-HZPDHXFCSA-N 427.542 2.144 30 10 IEEE C=CCC1(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993239882 GUSPFKMXAWWAMY-UHFFFAOYSA-N 425.526 2.040 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC12CC(C#N)(CO1)C2 2010548939 GSPNUIOPGSJCEJ-WDGBRCNXSA-N 428.533 2.201 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)[C@@H](F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622765 DKLXJYOBCJSUPZ-TZMCWYRMSA-N 438.309 2.213 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124531927 HCQMCAHWNOWVRU-SFHVURJKSA-N 448.369 2.184 30 10 IEEE C#CCN(CCO)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229109245 HQGHTSIRQCREIP-INIZCTEOSA-N 425.323 2.339 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 2237395851 UOXJVFGGAPPKTK-CABCVRRESA-N 439.306 2.478 30 10 IEEE CN(CCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243417188 MKEJOVKDSMMSTQ-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C[C@H](NC(=O)C#CCNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248405943 XMEDIQFQFIQULB-ZDUSSCGKSA-N 435.355 2.148 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420613 XPARDSBMZWQBLJ-TZMCWYRMSA-N 437.371 2.314 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2255631311 WSLMIQSIOCFLDO-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE Cc1nn(C)c(C(=O)N2CCCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255823119 SPAFYRFOVVOHNJ-UHFFFAOYSA-N 434.346 2.416 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844067 QBOLRZXZTMCBNN-GJZGRUSLSA-N 430.314 2.305 30 10 IEEE C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256617901 NCNCHWCQXFMHBT-WMLDXEAASA-N 434.342 2.049 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2267134630 SCGIRJCPTARPIV-ZBFHGGJFSA-N 448.373 2.187 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267137676 SIYUZOVFVBZFMT-CABCVRRESA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267145941 JWWNDXHVYAEBGM-GASCZTMLSA-N 446.357 2.323 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267147174 SGQYHWKDTDZNDG-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267265064 AGRODEGLHPZRKR-IYBDPMFKSA-N 443.353 2.320 30 10 IEEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267265620 IIOJYKVOPABSDC-CABCVRRESA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265832 LBNINKORRCSYTL-ZBFHGGJFSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2267497097 ITPUQLJJRQHMHY-FOLVSLTJSA-N 447.316 2.115 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@H]1NC(=O)OC(C)(C)C 2267547746 BALHZLYJVOXCHW-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CN(C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1)C(=O)OC(C)(C)C 2267560786 HRXKAAHMOPQIOU-MRXNPFEDSA-N 449.357 2.022 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267593760 WHODZNCLNPLECZ-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268632634 MJUAAANUBAPNGH-KSSFIOAISA-N 446.353 2.149 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268639863 SDHWXGRPIXSYET-NUEKZKHPSA-N 444.341 2.278 30 10 IEEE CC1(C)OB(c2c(F)cccc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2270601757 VZYZUKTYEICPMZ-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2282026489 ZJQSZNVRTFYMDY-HLAWJBBLSA-N 448.376 2.416 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296932982 ZZQDMYOSCYDGJN-FQEVSTJZSA-N 426.469 2.432 30 10 IEEE COc1ccc(Nc2nc(NN=Cc3ccc(O)cc3O)nc(N3CCOCC3)n2)cc1 2297710601 XLBROTUBDUQPQA-UHFFFAOYSA-N 437.460 2.318 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccccc2C(=O)O)CC1=O 2329045496 OCPAJMQXOZYEJD-OAHLLOKOSA-N 431.518 2.057 30 10 IEEE CCOc1cc(C=Nn2c(COC)nnc2SCCO)cc(Br)c1O 2331613073 PHXPFPMKCKKJHX-UHFFFAOYSA-N 431.312 2.258 30 10 IEEE CCOc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 2332190342 JFJIVUJTUFNWRZ-UHFFFAOYSA-N 442.435 2.415 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1C 2337190603 PRJFKUJBEBNFBO-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE CC1(C)OB(c2cc(=NCCCn3cc(Br)cn3)[nH]cc2F)OC1(C)C 2371991259 CHPAWZUUQUQEPL-UHFFFAOYSA-N 425.111 2.403 30 10 IEEE C[C@@](C#N)(NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)C1CC1 22848895 MEAILNRAUPHPPB-FQEVSTJZSA-N 437.466 2.070 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c(C)c1 59887585 VSTMWBSBPIQOOZ-UFFVCSGVSA-N 442.549 2.404 30 10 IEEE Cc1cc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)no1 253564703 GVOOQOSDQPBFQO-OMCISZLKSA-N 447.393 2.094 30 10 IEEE Cn1c(O)nc(=O)c2c1nc(NN=Cc1cccc([N+](=O)[O-])c1)n2CCOc1ccccc1 254463928 UNESIJGMCZQKQN-UHFFFAOYSA-N 449.427 2.269 30 10 IEEE N#Cc1ccc([C@H](C(N)=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 261411336 CZSCGZFIEVHAEJ-HXUWFJFHSA-N 445.445 2.360 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)ccc1Br 409941513 KBEHAJHNQHNRBV-SWLSCSKDSA-N 431.294 2.094 30 10 IEEE CS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCC(Oc2ncccc2C#N)CC1 445707053 KIGWRIJUJGFJFM-UHFFFAOYSA-N 435.527 2.025 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 460810727 SBWSPLUENTUWMT-LJQANCHMSA-N 449.552 2.197 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1Br 468828452 CIJCZULOWOKICY-CYBMUJFWSA-N 436.331 2.346 30 10 IEEE N#C[C@]1(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCc2ccccc2C1 474652547 DNRZYJONQBHKHW-DHLKQENFSA-N 428.492 2.030 30 10 IEEE N#CC1(NC(=O)CSc2nnnn2CC(F)(F)F)CCN(Cc2ccccc2)CC1 479239131 FKIGVBZANVLFHD-UHFFFAOYSA-N 439.467 2.002 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@]2(CCOC2)O1 485043979 UYGWTVAVQLPSCD-NRFANRHFSA-N 443.891 2.132 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 506865644 NVCVWPZTBPXHFN-QZTJIDSGSA-N 448.520 2.214 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 508818149 QXNCKKJXTOKPOV-UHFFFAOYSA-N 430.516 2.043 30 10 IEEE C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510296031 BWFCIFJUJDRJJN-XSYGEPLQSA-N 432.590 2.194 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cc4ccccc4)[nH]n3)CC2)cc1 515354148 PSUCAKPEYCEJBD-UHFFFAOYSA-N 435.509 2.019 30 10 IEEE CCc1c(C(=O)Nc2ccc(C#N)c(Br)c2)cnc2c1c(=O)n(C)c(=O)n2C 517384729 LJTUQHIEYFYMJN-UHFFFAOYSA-N 442.273 2.081 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c(C)c1 521920353 CPSUKRWWGIGAIN-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE CC(C)Cn1ncc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C(F)F 544866782 CDMIKOWOJDGEER-UHFFFAOYSA-N 431.447 2.031 30 10 IEEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC1)C2 557599363 YRQGWTCQERGJNJ-UFYCRDLUSA-N 425.552 2.293 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 558456448 WHZAIPLUNAGCHB-IBGZPJMESA-N 444.605 2.266 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)CC1 578364134 HUJXPRVTEAWQRF-IBGZPJMESA-N 441.576 2.461 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(F)(F)Oc1ccccc1 670211113 DKDOZWVFZTZWAG-INIZCTEOSA-N 446.458 2.455 30 10 IEEE COC[C@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 730137139 DPWDZLXZUCYNHI-QAPCUYQASA-N 438.569 2.416 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)Cn2ncc3ccccc32)c(=O)n(-c2ccccc2)n1C 730686923 KMFDPPKADQHODM-SFHVURJKSA-N 428.452 2.182 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCN1C1CC1 734694308 URWKDXVGYHFKIP-PKHCJMHPSA-N 436.537 2.132 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3cc(C)cc(C)c3)c2=O)cn1 735068476 CYOFGMZDWQJPAE-UHFFFAOYSA-N 449.580 2.150 30 10 IEEE COC(=O)[C@H](OC(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1)c1ccc(C#N)cc1 740251880 XDACMXABELNCNR-LJQANCHMSA-N 433.413 2.131 30 10 IEEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 744841085 SYGHSJKCINJIKU-APWZRJJASA-N 431.489 2.194 30 10 IEEE C#CCNC(=O)C1CCN(c2cc(Br)c(C(=O)OCC)cc2[N+](=O)[O-])CC1 749098549 OKXNPWIWNWLSHP-UHFFFAOYSA-N 438.278 2.500 30 10 IEEE N#Cc1cccc(NC(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1 750422564 ZVHYCPVKCMTSCQ-UHFFFAOYSA-N 427.218 2.092 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCN(c3ccncc3C)CC2)c1 752297835 GHSXMQZGYSVBBV-UHFFFAOYSA-N 446.551 2.480 30 10 IEEE CO[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757528318 IIVNQJWANZFVAF-IVZQSRNASA-N 436.464 2.133 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2nccn3c(Br)cnc23)CCCCC1 760404617 HOSGOJHXMKOMSW-UHFFFAOYSA-N 426.296 2.025 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2cccc(C(F)(F)F)c2)n1 761959533 IBYGGWQUXVKXOP-QGZVFWFLSA-N 446.433 2.337 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(c3cc(OC)ncn3)CC2)ccc1OC 764727213 JZFXTAHMKCMYHK-QGZVFWFLSA-N 440.504 2.207 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1F 765545815 XBICMDDMGCFCAX-SFHVURJKSA-N 446.552 2.067 30 10 IEEE CC[C@@H]1C[C@@H](C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 779758935 WVIZJIRUPZUTBL-GOEBONIOSA-N 426.495 2.219 30 10 IEEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 781002784 XEZMCURDDIJEKE-HOTGVXAUSA-N 443.525 2.094 30 10 IEEE COC(=O)COc1ccc(C=NNC(=S)NCc2ccc(OC)cc2)cc1[N+](=O)[O-] 788702841 KNXXDRJYDGQMSX-UHFFFAOYSA-N 432.458 2.153 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@H](O)C(F)(F)F)c1 789052308 QONANHUXTKXMPF-ZOKHCUHISA-N 436.456 2.324 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 794112755 ZWZLLOCMLDWAAD-CQSZACIVSA-N 443.529 2.308 30 10 IEEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 796810469 ARJLCUIRBCNWMQ-HNNXBMFYSA-N 427.498 2.430 30 10 IEEE COCCCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 800706280 AHDIEPCANIKQRR-KIRCQGABSA-N 430.549 2.386 30 10 IEEE Cc1cc(C#N)nc(N2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 804578733 QJGBHTDJSYUGPX-AEFFLSMTSA-N 428.537 2.389 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@@H]2CCCC[C@@H]21 813980214 WGZZMWBQXHQLOT-XIRDDKMYSA-N 434.518 2.326 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)n1 856585789 BNQFJLZPTIPLIB-QGZVFWFLSA-N 444.435 2.281 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 918894563 RTZVFWAHMHSGCC-JTQLQIEISA-N 430.408 2.321 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(F)cc3)n2N)c1 1084347470 KAKIBWNPUKRZRN-UHFFFAOYSA-N 442.480 2.266 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cn1 1084647558 YHYLAHPXRGPHAN-CQSZACIVSA-N 427.538 2.185 30 10 IEEE COCCN(C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccc(C#N)cc1 1126075484 FXUXWUDBIXBXDU-INIZCTEOSA-N 430.505 2.005 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCCc1cccc(C(F)(F)F)c1)c1cc[nH]n1 1136412533 GVVFFTQFTKWAJH-UHFFFAOYSA-N 426.395 2.461 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO 1137593199 OFEYBZZRWQOFTG-HKBOAZHASA-N 429.561 2.292 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1 1142335395 CYURVSFZDKNFDP-UHFFFAOYSA-N 448.342 2.477 30 10 IEEE CCOC(=O)[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@@H](O)c1cccnc1 1151408771 XRBKFEVKXVAZSN-OALUTQOASA-N 428.514 2.147 30 10 IEEE C#CCN(CC(=O)Nc1ccc(Br)cc1-c1nn[nH]n1)C(=O)OC(C)(C)C 1169620524 ARCYWKXLXQKJDI-UHFFFAOYSA-N 435.282 2.438 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1 1194476394 WBXRBFUWDZTBAL-VGSWGCGISA-N 449.573 2.480 30 10 IEEE C=CCOCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1213135193 HOVRUMOBFYIYLT-IAGOWNOFSA-N 430.592 2.224 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1251285735 GODBOJSBINCCCM-UHFFFAOYSA-N 437.496 2.383 30 10 IEEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 1256316688 BYTWFKWAPCCNOO-MBDNFAEBSA-N 429.586 2.119 30 10 IEEE C=C[C@@H](CC)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1264245178 KNCLVJDWBYNUSK-KRWDZBQOSA-N 437.562 2.085 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1286349465 XPVTUURBNDALQP-QGZVFWFLSA-N 447.543 2.316 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286499241 GHAGIVNVTDTRCU-UHFFFAOYSA-N 447.008 2.223 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1286557619 JPXJOQRPIBVIPN-URVUXULASA-N 439.560 2.110 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286592646 OOFOFFRIDBRHIZ-ARFHVFGLSA-N 449.508 2.277 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1286727086 MDCSLEXCLPKIHN-DHMKHTPVSA-N 439.582 2.120 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286782899 CJNXMXJYKUTBNL-MSOLQXFVSA-N 441.532 2.270 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3OC(=O)O[C@H]3C2)cc1 1286793765 LSKOYUXLIRSMQR-MSOLQXFVSA-N 441.488 2.144 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(CC(C)C)C1 1292132377 ARTOALPNDKQBNG-ICSRJNTNSA-N 445.612 2.293 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1nccnc1C 1300456226 YFYRQNAQLZXTMO-UHFFFAOYSA-N 442.527 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1300718704 VABJFAGHZGOBIL-DEOSSOPVSA-N 434.544 2.190 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)COC)CC1 1300767242 TXEBSQRKUYFSET-UHFFFAOYSA-N 433.603 2.028 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300769855 KYNFWTTXHCLJCG-ROUUACIJSA-N 439.497 2.209 30 10 IEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC[C@H]1C 1300829443 CZJQGUORKQRYKX-CYBMUJFWSA-N 441.351 2.482 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300972309 KCKRBJJCJAWMOD-KDURUIRLSA-N 427.505 2.301 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1300982538 LFTKDXFWRRCQHU-UHFFFAOYSA-N 426.565 2.481 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC2(C1)OCCO2 1301426733 VXNJWOYWUIADFF-LJQANCHMSA-N 430.553 2.322 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301477717 DFZILZWKLITRPD-MRXNPFEDSA-N 425.512 2.431 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)C1 1301558473 WALJXHNLHBYUHV-HKUYNNGSSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(OC)CC1 1301586497 MNYQSOASCNYHAR-OAQYLSRUSA-N 433.578 2.260 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1303711485 DXNSEOWUENNULC-GDBMZVCRSA-N 431.541 2.225 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C)N(C)C 1303739148 XQPKFJIBWMJECN-INIZCTEOSA-N 427.553 2.030 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1303940209 VLYYYTQWEONWIK-YWZLYKJASA-N 427.534 2.049 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n(-c2cccc(F)c2)c1C 1308058955 XZUMLXCIPXODAW-SJORKVTESA-N 444.532 2.410 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1312416024 UWEXZAJCCIYJBH-FQEVSTJZSA-N 426.542 2.459 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1358885981 VJCRXYHODKDZSP-ZIAGYGMSSA-N 438.504 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1358888398 MATWOQRHGVPEKJ-PMECCGAFSA-N 447.580 2.390 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCn2cc(C)nc21 1358982133 LOFDNWADYBVGKH-GOSISDBHSA-N 447.568 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1358982860 MYIGOHBNTNUDBS-UHFFFAOYSA-N 446.960 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1358995944 LXXWMXZSRWKOPW-SIKLNZKXSA-N 425.558 2.435 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)C(C)(C)C 1359005567 NICNLCFZTRUUJV-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)cc1F 1359018614 WUQRPQIAJONOCH-UHFFFAOYSA-N 426.427 2.338 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1359037827 YPVGQYGHQRHYET-UHFFFAOYSA-N 428.581 2.385 30 10 IEEE C#CCN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)[C@H]1CCOc2ccc(Br)cc21 1360310621 JGWORBRKGXUDGS-MAUKXSAKSA-N 441.347 2.206 30 10 IEEE CC(C)OCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1360396856 AHDQWCTWIHSCIM-UHFFFAOYSA-N 446.577 2.360 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1360783709 QFNFXHONDYXGIQ-QHCPKHFHSA-N 446.515 2.391 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1360797041 JDXWLWWRHMNXNE-MBSDFSHPSA-N 438.532 2.246 30 10 IEEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1456224804 VUQUTMVNSPPEDW-OBUYZQBDSA-N 447.557 2.285 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1465942302 HJUQEDYEMKGNFW-WMZOPIPTSA-N 425.489 2.494 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC 1468882879 UJRRNBMOFLLZAS-GOSISDBHSA-N 449.532 2.406 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1 1472371988 SHZLTQGSMLQWCF-QGZVFWFLSA-N 435.546 2.280 30 10 IEEE COc1ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc1S(=O)(=O)NCc1ccccn1 1472621738 BVPDHFLFOPTLLC-MRXNPFEDSA-N 442.419 2.143 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1503703483 LSDKSJSEOUJZSD-OAGGEKHMSA-N 447.584 2.417 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OC(F)F 1504998149 HNCCDCPCHNSLOP-HOCLYGCPSA-N 437.447 2.381 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507564088 MQRCYVALOWQHIR-VQTJNVASSA-N 442.608 2.155 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507634489 KUUQFSZPNMGQJN-INIZCTEOSA-N 441.479 2.233 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1507740285 ZXHANULQXODESN-CRAIPNDOSA-N 442.589 2.316 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(=O)NC 1507793711 FPZVWOQUSKAVOH-LAUBAEHRSA-N 441.532 2.270 30 10 IEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1508447809 LBAIZLSYNRHKMO-JKSUJKDBSA-N 426.521 2.426 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 1516834852 APOCXYVXDAKJDD-UHFFFAOYSA-N 448.568 2.467 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1517216738 BVLPYZCXJKBUPR-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[C@@H]43)n2CC(=O)NCC(F)(F)F)cc1 1521101440 BUOCLCHNXNNEST-HOCLYGCPSA-N 434.422 2.396 30 10 IEEE Cc1ccc2c(c1Br)CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1529907179 BGEZAAHBBNVBRV-UHFFFAOYSA-N 434.315 2.338 30 10 IEEE C#Cc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1533825889 HXQSPYZYXSRCAP-HXUWFJFHSA-N 427.482 2.436 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nnn(C)n1 1539237505 FTUNVKDEVKSBCP-UHFFFAOYSA-N 429.513 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)c(OC)c1OC 1539273597 YPRXBMMFJHRMSN-UHFFFAOYSA-N 448.527 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(C)COCCO1 1539278423 BUYPUCNVQDFIRK-QFIPXVFZSA-N 426.542 2.457 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1539427309 AKOTZJLPLXSYHU-FDDCHVKYSA-N 437.548 2.028 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539434324 HXULQWWVMFCKLW-YWZLYKJASA-N 447.381 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)SC)CC1 1539474314 OJEJWMNYBSUDQA-HNNXBMFYSA-N 441.557 2.391 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539491259 NVZMFAVZRHNCQT-JOCHJYFZSA-N 440.573 2.215 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(C)(=O)=O 1539635965 IPBUTJRPFMADKT-CRAIPNDOSA-N 439.607 2.096 30 10 IEEE C=C(C)Cn1c(SCC(=O)Nc2n[nH]cc2C(=O)NC2CC2)nnc1-c1ccco1 1540079826 YEPCMSHOVNIYKS-UHFFFAOYSA-N 427.490 2.460 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1540887617 AJIPFKWFDHVJBS-UXHICEINSA-N 426.565 2.478 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1540920526 YFYFDDNZXDFFRP-MRXNPFEDSA-N 431.562 2.452 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1541115546 BDMWKNSCSMHUMS-AEFFLSMTSA-N 431.562 2.414 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3cc(OC)ccc3n2Cc2ccccc2)C1=O 1544128261 NJOKPQWLYMHDEC-UHFFFAOYSA-N 447.451 2.009 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCO[C@H]2CCOC2)CCOC1 1547899810 DWTRDOVFOLUDQO-YUXAGFNASA-N 433.553 2.256 30 10 IEEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1548230999 OCOHVQIOTRSBJI-OXQOHEQNSA-N 439.557 2.219 30 10 IEEE CCOCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C#N)o1 1548254991 VNDHDFCMCABXET-UHFFFAOYSA-N 436.520 2.438 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1552655517 FSEMSVABESILPK-LJQANCHMSA-N 433.516 2.194 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)C(=O)NCCc3ccccc3)ccc2c1=O 1556625994 ZWUGRDZSQKVOCY-HNNXBMFYSA-N 436.537 2.348 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 1557740549 LTPIILVZMWYHSX-MRXNPFEDSA-N 426.517 2.075 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1557770824 WXBHWSSMIXEWQZ-HNNXBMFYSA-N 442.497 2.228 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2cncs2)Cc2cncs2)cc1 1558586416 PHKUEUYIAHDJSO-UHFFFAOYSA-N 432.552 2.354 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1587598628 CZYUSWDRBNNUAG-HZPDHXFCSA-N 432.546 2.245 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CCCN2CCCO)c1 1587684223 UETLURWZPMMSJI-NRFANRHFSA-N 438.576 2.305 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1587783828 YXEDDAPWFTZPFX-GHTZIAJQSA-N 425.581 2.100 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588029101 DHCOMQMAJVGBMN-FQEVSTJZSA-N 429.590 2.160 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588054242 MKLVAZGATJOZOE-QZTJIDSGSA-N 436.578 2.106 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1589559984 WGLYKSVDXWFWFU-JTDSTZFVSA-N 430.578 2.317 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1593752935 UDCLLJRNELHDMU-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 1594543462 ARWLCPNLRKBNOD-QRQLOZEOSA-N 445.589 2.458 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594819437 CPFIHVWRSNKZSS-CTNGQTDRSA-N 446.640 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CCC)C1 1595778198 WZWTYSRIFROPNS-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)cc1 1598372901 JIDSBAJHFBLKMQ-AWEZNQCLSA-N 435.527 2.024 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1609931697 WKKDQLQUJLYICI-SFHVURJKSA-N 432.532 2.237 30 10 IEEE C=CC[C@@]1(C(=O)Nc2ccn(CCN3CCNC3=O)n2)CCCN1C(=O)OC(C)(C)C 1611031767 UDDFATWBGNMIPZ-NRFANRHFSA-N 432.525 2.193 30 10 IEEE N#CC1(C(=O)NC[C@@H](O)COc2ccc(I)cc2)CC2(CC2)C1 1622536538 ONHXTAPROBFXJN-CYBMUJFWSA-N 426.254 2.231 30 10 IEEE C=CCOc1ccccc1CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1629260300 RHMKBDGNUTXBCR-KRWDZBQOSA-N 438.546 2.292 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)nc1 1629976310 FXODWWYLWIVOOR-UHFFFAOYSA-N 439.541 2.155 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC([C@]4(C)COC(=O)N4)CC3)ccc2c1=O 1634965395 JYJLHSHYQCXFSZ-NRFANRHFSA-N 428.514 2.222 30 10 IEEE C[C@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1635421750 XDEJKWBYXWRCMT-SZMVWBNQSA-N 431.537 2.220 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 1644016039 YRVOZNASEDZBNE-KRWDZBQOSA-N 425.439 2.274 30 10 IEEE CC(C)NC(=O)CN(C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645938364 RHAQAXNHMWQKHR-UWVGGRQHSA-N 439.347 2.072 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)c3cncc(Br)c3)CC2=O)cc1 1648712610 NBPSTCHUSOJIJY-CQSZACIVSA-N 427.258 2.068 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)cc1 1648825519 OAZBWGXSBOMVPE-QGZVFWFLSA-N 426.416 2.342 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)cc21 1652964378 LTRRRJCEDIOVGQ-GUDVDZBRSA-N 444.557 2.271 30 10 IEEE O=C(CCN1C(=O)CCc2cc(F)ccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811303 BDFYVWBGQQLNJE-UHFFFAOYSA-N 439.443 2.399 30 10 IEEE C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCN(C(=O)CC#N)CC1 1658692861 HMGYZIXNZCODII-CYBMUJFWSA-N 428.474 2.103 30 10 IEEE CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1659266168 DKYGXDZVPGTUSS-UHFFFAOYSA-N 443.525 2.250 30 10 IEEE CCc1ccc([C@@H](NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2cccs2)cc1 1660309132 AALYBPBOFOFLEU-BWAGFHJFSA-N 443.594 2.386 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2)C(=O)OC 1664951358 KSDTVJJVVZSZGJ-ZDUSSCGKSA-N 431.308 2.120 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1673802881 YRMOXPUUTBMXEZ-ULQDDVLXSA-N 437.537 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1689827999 KKSWRNZXPGEXFB-JKSUJKDBSA-N 437.541 2.343 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689993474 FEUPLAIMUOMQGS-LJQANCHMSA-N 428.558 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCOCC2)nc1 1690011363 MGBBQKRSTREPQE-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 1690105235 YLJYILJPYBDVBG-UHFFFAOYSA-N 442.583 2.120 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC)C1 1690159945 RKTOERAKXMBCEF-AWEZNQCLSA-N 440.367 2.254 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690169767 NUDGRZUJLAPFRZ-HNNXBMFYSA-N 426.550 2.214 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690319248 HEAXKAFNQPRQCU-QFIPXVFZSA-N 429.496 2.448 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC)[C@H](C)C1 1690319557 QTTRZEPALGGNKQ-QGZVFWFLSA-N 432.594 2.393 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1690597576 XUGFDWJXOFEGKS-KRWDZBQOSA-N 437.591 2.094 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCO1 1692543238 SVOURSFYYFGSAX-PMACEKPBSA-N 438.532 2.435 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1705612954 SZVXYQIQUBGHJD-SFHVURJKSA-N 443.573 2.404 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705663960 SPEWSVBLMNVVLF-UHFFFAOYSA-N 427.578 2.112 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCOCC2)CC1 1705765078 XSXSFEPYSRQVFA-UHFFFAOYSA-N 446.573 2.437 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC(C)C)CC1 1705767335 JEYTZKIRNGKQNZ-UHFFFAOYSA-N 445.593 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705898926 CGYVOFYMJRRZRX-HXUWFJFHSA-N 430.516 2.465 30 10 IEEE CC(C)(C)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706105175 ACUWTLYZGUARRQ-SKQREZPOSA-N 442.564 2.355 30 10 IEEE CCOCCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1710791282 RXRFJRNJLWXNIE-SFHVURJKSA-N 430.553 2.116 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1710835089 VSAVIBNOSVUCPI-VGOFRKELSA-N 427.505 2.149 30 10 IEEE CN(C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1711012033 GJPAAAXWQYLEEY-FQEVSTJZSA-N 442.589 2.030 30 10 IEEE COc1cc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)ccc1SC 1711660149 VAWQCOLZWNGYLG-FMQUCBEESA-N 442.545 2.480 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC1CC1 1722347761 OJCIGCCSIWSPOU-UHFFFAOYSA-N 432.322 2.312 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1722371921 MYZWTTHTTLRJAV-RTWAWAEBSA-N 442.585 2.115 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2cccnc2)CC1 1722435181 CTQPCHFKYITQBM-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2CN(CC)CC)CC1 1722438674 XMXJEJXSQPYCOX-UHFFFAOYSA-N 444.587 2.380 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1722511411 ZBUHEDUPZMJALH-QFBILLFUSA-N 430.578 2.317 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1722601247 SZHNOKSHPVEFKV-SJLPKXTDSA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722629809 YKZIGGJHTNAQIK-UHFFFAOYSA-N 438.511 2.112 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722697640 NKXBXRHOXOQBMU-XMMPIXPASA-N 432.528 2.357 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(COC)CC1 1722749693 IVPQDCANUXGPCN-UHFFFAOYSA-N 447.517 2.237 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 1723769479 LIHOUEALLFCMRL-ZDUSSCGKSA-N 432.330 2.466 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1730875708 LYLSACSDYALQTL-HIFRSBDPSA-N 440.426 2.193 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1730919081 NBZMSUCWCKEAKK-SFTDATJTSA-N 441.532 2.254 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CSCCS1 1740542122 OJHWMSUEIFBVSY-PBHICJAKSA-N 426.575 2.227 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1740624413 GSDBBYPBZYTZBK-HNNXBMFYSA-N 446.479 2.415 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740627309 PFYDATHDUMXZKU-RTBURBONSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1CCOCC1 1740644198 WPYAQDWTVUGJOP-UHFFFAOYSA-N 425.508 2.180 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1740666463 QPTIDDWIHQRNNC-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(C(N)=O)CCCC1 1740675411 AXYSXERBFODDQF-UHFFFAOYSA-N 440.523 2.241 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cc(C)nn2C)CC1 1740699665 OXJPOOFHPBICEE-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1740882658 SZMDLOUSIOMPOK-LJQANCHMSA-N 443.548 2.076 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1741001876 DJGQKBIWHUPCHE-IXDOHACOSA-N 443.639 2.013 30 10 IEEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742812101 JWPVMHYQELBQDU-LPNGOHTBSA-N 445.527 2.444 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCOCC1 1743676338 CSFFVZWDQBEKDE-QGZVFWFLSA-N 439.564 2.439 30 10 IEEE CCCNC(=O)Cn1c(COCC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1745801065 CCIAXHLKGNNQOF-UHFFFAOYSA-N 426.521 2.260 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1748639048 BFLIYPHETJDQFS-CHWSQXEVSA-N 425.942 2.057 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1748667522 VTHXNXGEFBYMEY-MJGOQNOKSA-N 428.581 2.111 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccc(F)cc1 1748842188 GEZLRHVVEJYOGZ-QHCPKHFHSA-N 435.459 2.125 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1748993476 YZXSUOCNPCAJPX-QFIPXVFZSA-N 435.620 2.387 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCC)CC1 1748999353 RFHGOBWNVIXCRF-QFIPXVFZSA-N 447.587 2.358 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749020069 KIGZCTFABWSCMX-MRXNPFEDSA-N 446.602 2.223 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1749048752 AWIVZAQNNLSXEX-OAQYLSRUSA-N 446.665 2.491 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749189884 WWDSEFWWRLTWEH-SFHVURJKSA-N 426.496 2.297 30 10 IEEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749457241 PLWINHACNYGFET-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1749752170 KGTXDYHGDQIHCD-UHFFFAOYSA-N 428.566 2.038 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CCOCC(F)F)c1 1750381650 ZQSLHZFYNZCMIT-KRWDZBQOSA-N 445.474 2.139 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1752227252 LGYSMSHUOSLVFE-ZJYNUGOYSA-N 438.536 2.077 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760188738 CSOQLSORCQTEKG-FXAWDEMLSA-N 434.587 2.126 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760316898 XZVXLODFMAMUDC-KNQAVFIVSA-N 430.597 2.139 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC1CC1 1760321848 KUQISPWLYLFNFU-OTWHNJEPSA-N 438.594 2.024 30 10 IEEE C=C(C)Cn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@@]1(OCC)CCOC1 1760349336 IETSZZFEBVLGQB-JOCHJYFZSA-N 430.553 2.433 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cnc3ccccc32)CC1 1760381846 BUXJEDCJDPJMNZ-MRXNPFEDSA-N 429.550 2.095 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C2CCOCC2)C1 1760557055 YXNJLCQEQVOCOM-FQEVSTJZSA-N 445.589 2.118 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1760557505 NONQAEJYPOGKRR-HKUYNNGSSA-N 427.530 2.318 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1760702314 RDBWCVUUXFCHDV-GPMSIDNRSA-N 429.546 2.420 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccc2[nH]ccc12 1761481776 CBPFONZDWLXDAA-JLTOFOAXSA-N 445.524 2.054 30 10 IEEE CC1(C)SCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1761566960 IDKCAEZZZIODNG-CABCVRRESA-N 427.534 2.186 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H]1C 1765400880 VFWVPFDAUVFRTG-OPYAIIAOSA-N 440.548 2.063 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C)s1 1767930809 HTXFTRDLYQMMQU-UHFFFAOYSA-N 440.577 2.473 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1770147163 ZXVIZBMEAQKUKW-KRWDZBQOSA-N 442.520 2.147 30 10 IEEE COc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1770483299 MCNJRPYFLVQCSB-PGRDOPGGSA-N 427.505 2.104 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCCCO)CCN1C1CC1 1771538372 BKLZUELWEYZXHX-GOSISDBHSA-N 428.512 2.335 30 10 IEEE C=CCN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1 1852654679 PUVFIYRXTPHRJH-QGZVFWFLSA-N 444.395 2.082 30 10 IEEE O=C(c1cnc(O[C@H]2CCOC2)c(Cl)c1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852781531 DCIZPDMCKCMLIF-JTQLQIEISA-N 441.815 2.387 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1852878483 LPEVSGITBAIOKL-OAHLLOKOSA-N 443.504 2.002 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3nccc(Cl)c3F)C2=O)C1 1854196933 SDYUGWAEDBMFJX-HNNXBMFYSA-N 429.839 2.035 30 10 IEEE CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1855394209 LBOBYHOIHGDMJE-WMZOPIPTSA-N 429.542 2.237 30 10 IEEE CCOc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)cc1 1855960309 WMAKBERGSNMLIC-UHFFFAOYSA-N 427.482 2.349 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc1OC 1862746097 YTFSGWJMSZCHQF-SFHVURJKSA-N 428.397 2.183 30 10 IEEE CCN1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868774438 HMOZURFFBDTHQP-SFHVURJKSA-N 431.606 2.084 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccncc1 1874335155 ICBIVGLWIOXVCW-FZJZADEZSA-N 443.577 2.240 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(NCCOc3ccc(OC)cc3)ncnc21 1875232525 MMPBIMRHUKJTIO-UHFFFAOYSA-N 425.489 2.181 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CC(O)C1 2067743648 SFPGEODTMICZDD-NAETUIJBSA-N 436.358 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754382 MHJWIVXIQYAELP-OYHNWAKOSA-N 436.358 2.301 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CC1 2247831852 FRIIOVIULJINJW-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248416375 RCFBRUJNMFEOON-LLVKDONJSA-N 425.266 2.303 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCOC1 2250667737 AEZSFAFDFZAFEI-PMACEKPBSA-N 428.533 2.249 30 10 IEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255631031 SKRGFWWEAJTQEZ-UHFFFAOYSA-N 436.362 2.426 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808756 OBKRDWYPMRPCBR-PBHICJAKSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255838513 HJQMMWZGAUDGQU-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2256665680 NGEFCKJERJRWRB-SCAQPMJSSA-N 429.326 2.432 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2267093840 YIQFFOCPWPJNSC-GJZGRUSLSA-N 446.357 2.038 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267519674 IDVCMAYXZJRPQO-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268646145 STTOSIIBTXANIK-VKJFTORMSA-N 448.369 2.437 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)nc(O)c2[C@H]1C=Cc1ccccc1 2293273380 AQWSVHHQRRDSFH-IRXDYDNUSA-N 433.468 2.414 30 10 IEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccccn2)o1 2330750087 WCDXQIRSQHFHHT-UHFFFAOYSA-N 428.474 2.253 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334261813 HPTAUVWMXZUHEL-DARAHFNDSA-N 446.357 2.131 30 10 IEEE COc1[nH]c(=NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786797 RLEFCEFKMMYXHA-UXLLHSPISA-N 445.369 2.479 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2cc(Br)ccc2C#N)C1 2379813396 JSHYQSHGULUNET-MRXNPFEDSA-N 435.322 2.492 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)cc2C1=O 9702132 BTPKPKOZBPTMOP-UHFFFAOYSA-N 428.466 2.076 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)c1O 21318768 DLTIBMYFMSLJBM-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](/C=C/c2ccccc2)[C@@H](C#N)C(=O)N3)CC1 72444740 MIMYDKOQUHYPRI-RKQNLGICSA-N 447.495 2.438 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(F)c1 102757778 ZETOWEXRFHRACD-LCPUNJGISA-N 442.491 2.310 30 10 IEEE C=CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N(C)Cc3ccccc3)no2)c1 445685745 USKPTFGPYPUYQG-UHFFFAOYSA-N 426.498 2.402 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cc(-n4ccnc4)cs3)c(=O)n2C)cc1 462434591 ATCFBBSRSUNBJC-UHFFFAOYSA-N 432.530 2.388 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N[C@H](C)C(=O)OCC)cc3)cc2C1=O 464273965 FIBURIJIYCFNIY-CQSZACIVSA-N 449.463 2.402 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)Cn3c(O)nc4ccccc43)c(C#N)c2N)cc1 479566069 KXNQUMRGJAFMQZ-UHFFFAOYSA-N 429.484 2.439 30 10 IEEE CCOC(=O)c1ccc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)nc1 505753535 UVYOUDOQTAZIBJ-JOCHJYFZSA-N 430.505 2.169 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 508473886 QRYKTLHFPAGCGC-UHFFFAOYSA-N 433.578 2.336 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 508847313 KIIVHOSWKDACJW-AEFFLSMTSA-N 443.548 2.314 30 10 IEEE C=CCn1c(N2CCN(S(=O)(=O)CC)CC2)nnc1C(F)(F)Oc1ccccc1 508928818 CTJFMTKYOHCPSC-UHFFFAOYSA-N 427.477 2.064 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 523180853 KKPBVIODNMGZQS-KRWDZBQOSA-N 441.509 2.115 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ccnc(N(C)C)n2)CC1 533394524 AONWEVGEUIUCMC-CQSZACIVSA-N 425.562 2.114 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2Br)C1=O 535879062 BPXYXYIDRUYHQL-UHFFFAOYSA-N 434.168 2.383 30 10 IEEE CCOC(=O)c1cn(C)nc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 541453814 FKEJEEHSJZODKR-UHFFFAOYSA-N 433.472 2.371 30 10 IEEE C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 544851445 CKMCXVIGEQEHKM-UGKGYDQZSA-N 434.544 2.074 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1ccccc1 549646446 OFYAEVALWPGSDB-PKOBYXMFSA-N 433.578 2.427 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CCN(c4ccccc4F)C3=O)CC2)o1 549717877 ZNBHOVRDJYSFQR-IBGZPJMESA-N 425.464 2.474 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCCO3)CC2)nc1 572182718 LZBPDMDVLGQZCC-HXUWFJFHSA-N 430.516 2.036 30 10 IEEE CON[N+](=O)CC(=O)N1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C 585088866 DBUMAOCPSLOYKN-FQEVSTJZSA-N 433.510 2.364 30 10 IEEE C=C(C)CN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 592077288 VRSPFRVANDDESV-UHFFFAOYSA-N 434.606 2.307 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@@H](C)O1 609255424 AZMRWELCZFPYTQ-HUUCEWRRSA-N 438.459 2.202 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)cc1 728831861 XYRDAUPBEZVXPM-RUZDIDTESA-N 444.491 2.322 30 10 IEEE C#CCN(C(=O)[C@@H](CCOC)Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 741214118 VHOXIKRVYQHNAX-WMZOPIPTSA-N 442.375 2.293 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2ccc(C(=O)OC)cc2)C1=O 747847385 CKXSKJVGAVJDJH-LJQANCHMSA-N 425.507 2.338 30 10 IEEE Cc1nn(Cc2ccccc2)c(C)c1C=NOCC(=O)NC[C@H]1CN(CC(C)C)CCO1 749791501 PUVWOVKGMJXMLH-QFIPXVFZSA-N 441.576 2.372 30 10 IEEE C[C@@H](OC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)Nc1sc2c(c1C#N)CCC2 756283036 AUFUAMFBBDORHI-SNVBAGLBSA-N 437.499 2.136 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccnc2)cc1 764946623 MWSGKJKISIVZLB-PLRJNAJWSA-N 443.529 2.043 30 10 IEEE COc1ccc(C#N)cc1COC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 772249839 UPSNXDPUQTUJGL-UHFFFAOYSA-N 432.502 2.051 30 10 IEEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)C1(c3ccc(C#N)cc3)CC1)CC2 781473464 VGRHQTGWYDOHKZ-UHFFFAOYSA-N 441.509 2.026 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CCN1C1CC1 783320936 UQUXBRXHXQDWJX-MRXNPFEDSA-N 432.406 2.028 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1ccccc1C#N 783950191 FLPFOVLYIKJSDH-UHFFFAOYSA-N 426.486 2.045 30 10 IEEE N#CC1(CS(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCC1 790011223 MARIAAHEDDDQRK-UHFFFAOYSA-N 444.536 2.056 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 800780028 HSSYFWFLPLYFLM-VGOFRKELSA-N 427.505 2.275 30 10 IEEE N#Cc1cc(C(=O)NS(=O)(=O)c2cncc(Br)c2)cnc1C(F)(F)F 815924674 DYLDDFDRDBTJJN-UHFFFAOYSA-N 435.181 2.248 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 914680240 UZGQSACLVWYOLV-CABCVRRESA-N 445.497 2.146 30 10 IEEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775316 PPLZLIVHNNBDPF-ZDUSSCGKSA-N 435.502 2.404 30 10 IEEE CNC(=O)[C@@H](CNC(=O)CCc1c(C)nc(O)c(C#N)c1C)Cc1ccc(OC)c(F)c1 1130336284 NXFQPYIJLRUAAQ-MRXNPFEDSA-N 442.491 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cccc(N3CCOCC3)n2)CC1 1138645126 VIBYKHCBHLYQEF-UHFFFAOYSA-N 428.533 2.185 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 1144763193 PARCYUAPFXXENX-HXUWFJFHSA-N 447.377 2.269 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]1c1ccc(Br)cc1)c1cc[nH]n1 1148554517 WNRQQGUEERYWEC-OAHLLOKOSA-N 435.278 2.430 30 10 IEEE C=CC[C@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1156150028 ROIFXAXOHWOHRO-GFCCVEGCSA-N 429.468 2.455 30 10 IEEE C[C@@]1(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@]1(F)Cl 1230577091 KORCVMWJPGXJTI-MSOLQXFVSA-N 428.917 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCN(CC)CC1 1286413796 ZWORHYLKRUAGMF-UHFFFAOYSA-N 443.599 2.451 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 1286486872 QSOVGKAEGXDRSM-UHFFFAOYSA-N 444.580 2.020 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1286503975 LJVZETQADQFCBE-UHFFFAOYSA-N 428.562 2.172 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C 1286563695 QROOFRFMWLERSC-TZIWHRDSSA-N 444.624 2.301 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286604537 MDMGGDZOMBVIOE-NRFANRHFSA-N 428.493 2.408 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286653260 TUPZUUFAZRSRJP-OALUTQOASA-N 430.597 2.416 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286716511 NIQWGMSVLMVDLM-OAQYLSRUSA-N 438.576 2.141 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286783360 PHZQNQCJBYROTC-UHFFFAOYSA-N 430.509 2.206 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286784599 NAKABZGIHKYOCY-QGZVFWFLSA-N 435.532 2.373 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1286788114 QHZJQHROUOQVGI-WIYYLYMNSA-N 443.523 2.173 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286802038 MNGIQZTZANCZSJ-UYAOXDASSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286816423 KXOGMGWFJKSXSG-GOSISDBHSA-N 434.562 2.416 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1287423404 HTVQXRAOFUYNBJ-KRWDZBQOSA-N 428.510 2.215 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1288521344 ZPDMSTVMLXGEDJ-ZWKOTPCHSA-N 425.537 2.190 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1288999979 VEHGAOQIYVXYAO-IBGZPJMESA-N 433.516 2.383 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1290020973 DREXMOCQUFOYDU-MRCUWXFGSA-N 446.529 2.106 30 10 IEEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cccc(CNc3ncccc3C#N)c2)C1=O 1294363408 AYJPSZZDCLQUAJ-MBSDFSHPSA-N 432.484 2.016 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CC2(NC(=O)OC(C)(C)C)COC2)C1=O 1297273462 MEJIWSFKZFLMGT-HXUWFJFHSA-N 440.541 2.372 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1300310048 KHYMAWPJBSQVOD-IPJJNNNSSA-N 439.560 2.485 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1Cc1ccccc1 1300505483 BFYTXLBZZPIPKX-QFIPXVFZSA-N 430.556 2.252 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(O)(CC)CC)CC1 1300696044 RQVJDCWCTCZPCV-UHFFFAOYSA-N 433.560 2.437 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](CC)C1 1300830033 CHXGTEDLHZUKBI-NWDGAFQWSA-N 438.417 2.129 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1301217091 YVIPKIORYFSBRD-YOEHRIQHSA-N 432.550 2.040 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)(COC)CC1 1301499297 BDHWVGGOZLKNJC-LJQANCHMSA-N 441.532 2.346 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1303900107 RSMNMFCIMJBKQN-GOSISDBHSA-N 429.484 2.053 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCc3c(sc(N)c3C#N)C2)C1 1304491454 ZHKXCGKACQEBRX-HXUWFJFHSA-N 436.509 2.062 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-n1ccnc1 1305789528 DZWZSQPPYFCWPU-IBGZPJMESA-N 448.531 2.159 30 10 IEEE CCC[C@H](C)C(=O)NCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1312739348 GYLQPXAXVWYWOW-KRWDZBQOSA-N 437.548 2.332 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1313993414 HAKSSFLTNUQWJB-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE CCOCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1314449529 SYSBFODIEDOTMC-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1359001523 WVRNDFVJSKRCSW-OAHLLOKOSA-N 425.468 2.170 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC[C@@H]2CC)CC1 1359040461 VWSSOMQJGSWFBV-FKBYEOEOSA-N 444.624 2.022 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1359064800 AFVRTYWVSSGSMU-DHIUTWEWSA-N 442.564 2.275 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCc2cnccn2)nnc1[C@@]1(OCC)CCOC1 1359105059 JGORFAJGEVHRHM-GREBRCKQSA-N 442.564 2.380 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359183085 COWYWELKQBTZKG-ZACQAIPSSA-N 425.599 2.496 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359300588 GGOQODDXEKXEDO-ZWOKBUDYSA-N 440.548 2.012 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359303717 YQZNQAQLTLNPIL-TZIWHRDSSA-N 439.560 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1359328151 UYWQEQLJXZRDFV-UHFFFAOYSA-N 432.472 2.244 30 10 IEEE C=CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359346422 KZLUVQCIWFSXRW-DYESRHJHSA-N 437.610 2.295 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1452941021 FQKBIOAEYWAMQA-OALUTQOASA-N 429.517 2.466 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)c1 1453245122 UMOCIFKYJQVXFS-UHFFFAOYSA-N 435.571 2.126 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 1457215557 KYIUVYUNSYJIAR-QGZVFWFLSA-N 449.573 2.365 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(CC(=O)NCCC)cs2)ccc1F 1462336724 SNYAFNMYAKWQOD-UHFFFAOYSA-N 440.522 2.068 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1466017917 JCBBHAAVOTVFKS-UYAOXDASSA-N 444.532 2.388 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1471536365 ULVBTICWSCWGHY-PZJWPPBQSA-N 432.517 2.385 30 10 IEEE COC(=O)CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCCCC1 1473628934 IMDLGMFOVPQBQO-NRFANRHFSA-N 430.524 2.342 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1503272745 BUEZMYBHWIVRSW-QZTJIDSGSA-N 428.562 2.381 30 10 IEEE COCC1(C)CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1504618101 HLMLBFSSKBUGEG-FMQUCBEESA-N 430.553 2.256 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1504658527 AJJBVHKKBQWKFX-SFHVURJKSA-N 449.515 2.304 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CC(F)(F)F)cc1 1505316019 VLFQMJCJVPEPEZ-KRWDZBQOSA-N 425.436 2.394 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507514258 CHNXHVKAJOCMDZ-VJANTYMQSA-N 438.642 2.104 30 10 IEEE C#CCCCn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1[C@@]1(OCC)CCOC1 1507598354 DISRKDUJFVHRHG-JOCHJYFZSA-N 446.621 2.347 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN(C)C(C)C 1507617484 URYHLERWIDVVGJ-FQEVSTJZSA-N 429.590 2.138 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2c(F)cccc2F)CC1 1507733413 XXTTUHXYMUICCX-UWJYYQICSA-N 445.514 2.278 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1507770822 QTXBAMSBRYMXGZ-RUZDIDTESA-N 434.588 2.220 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507844248 GCZCPRMDXKCCMO-HXUWFJFHSA-N 440.548 2.470 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1507847439 GUIOGMHTHRMPSL-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1508003046 RHHGHXDRUFXJPE-UHFFFAOYSA-N 430.574 2.363 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1514144291 MKZKVANSDLSLAJ-LZICOFPGSA-N 439.545 2.198 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@H](F)C1 1517073682 DSHASLJNCNCBQQ-IEBWSBKVSA-N 426.496 2.250 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc(OC)c1OC 1536334859 BWIYRHDTKZZJMW-OYHNWAKOSA-N 449.504 2.419 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539065289 DOXPDOHSIZEMKD-IBGZPJMESA-N 438.507 2.134 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1539391158 ADPYHTZJUCHCKZ-MOPGFXCFSA-N 446.548 2.386 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539627870 LQOSBKZKPURYHT-WIYYLYMNSA-N 439.564 2.411 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC 1540133391 IEZOPCLLJQLBEF-UHFFFAOYSA-N 449.552 2.281 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540182063 HQJVYZWORWIICB-QFIPXVFZSA-N 430.574 2.015 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540863761 DRWRFTGFFRYBCY-SFTDATJTSA-N 449.559 2.434 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1540870888 ZJDRUYZAZJVNQX-CQSZACIVSA-N 441.458 2.211 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(CC(F)(F)F)CC1 1541650405 AKHUVOYZLCNGJM-UHFFFAOYSA-N 441.502 2.431 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1541803267 FRFKHNRVEIJMIT-QAPCUYQASA-N 444.561 2.151 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)Oc2ccccc2F)n1 1543066306 AMVWMZXEHRBYCK-QZTJIDSGSA-N 439.495 2.475 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)C[C@H]1OC 1555787918 SMYYHQYDUFHQHW-OYRHEFFESA-N 441.532 2.252 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCOC[C@H]2CCCO2)cc1 1555991451 UIIKWWVTUYXHNZ-HXUWFJFHSA-N 427.505 2.151 30 10 IEEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccc(C#N)c(OC)c1 1556504749 KOGZULKAMMQUGX-CRAIPNDOSA-N 430.549 2.409 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 1556823020 KARARDIBWASEGK-UHFFFAOYSA-N 428.290 2.175 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccnc(N3CCSCC3)c2)c1 1561797985 WPKMXIZLSZGZRP-UHFFFAOYSA-N 432.571 2.029 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)F 1568509123 YEHNAXAFCGFWPX-JKSUJKDBSA-N 436.459 2.324 30 10 IEEE CSCC[C@H](C(=O)N[C@H]1Cc2ccc(C#N)cc2C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1583060939 JXZCKCCPCCJACB-VNTMZGSJSA-N 425.554 2.439 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1I 1587527221 SBPPWEHQSJXWFJ-UHFFFAOYSA-N 439.232 2.296 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)NCC#C)CC1 1587872209 ATFIBROEKHKUNB-UHFFFAOYSA-N 433.556 2.451 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588059549 QEPRSYYUJUFKEQ-OAQYLSRUSA-N 443.617 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)CC1 1588907767 GDJIEUMYKXNCGT-IBGZPJMESA-N 432.528 2.209 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589394259 ALTSZCUBLGFUGA-HNNXBMFYSA-N 444.399 2.459 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCOC1 1595291077 MCCHWNBXNKCCAD-KRWDZBQOSA-N 438.532 2.257 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1596840052 AWFPKKJJNLNFPR-AEFFLSMTSA-N 441.561 2.080 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1616735641 ZSRMNLUJLILBOU-INIZCTEOSA-N 438.521 2.030 30 10 IEEE Cc1cc(C)c(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)c1Br 1617487363 NSWYHEVUPMRSBN-KSSFIOAISA-N 425.348 2.314 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 1617668077 LHIGHCMFHCGYEW-UHFFFAOYSA-N 432.446 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1618729437 BJWAWSSAJGTFKQ-IBGZPJMESA-N 426.517 2.422 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1620296206 HCHRNNKHJNIJGA-FUHWJXTLSA-N 426.546 2.197 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)c1ccccc1 1622280688 PQMNURKAILDFEB-AWEZNQCLSA-N 430.454 2.312 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1 1626357534 LTNDGQJGRLWEKB-UHFFFAOYSA-N 431.480 2.087 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(CC3CCOCC3)CC2)C1 1628342985 ZWMGFHCXOQUAGS-UHFFFAOYSA-N 447.377 2.328 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCc2ccc3c(c2)OCCO3)s1 1631745581 UZNBRVSCJGVJHB-UHFFFAOYSA-N 436.555 2.275 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C)n(NC(N)=O)c2C)nc1C 1632842019 FVIDRKDDIGNZQD-UHFFFAOYSA-N 432.535 2.478 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1 1633843719 BBNHPMCWQKBSRG-QZQOTICOSA-N 425.466 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2I)[C@@H](C#N)C1 1635213765 LJNFTSRZTHGPEM-VIFPVBQESA-N 448.286 2.333 30 10 IEEE C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1636290778 JCVJNNUFCIRBRJ-ZDSBVPGZSA-N 432.565 2.095 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1637990402 RKYDSSPTMBVQPJ-QUCCMNQESA-N 429.314 2.350 30 10 IEEE N#Cc1c(F)cc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1F 1639271451 LLNCAWNOAMZSJR-SFHVURJKSA-N 430.411 2.013 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)nn1 1639557533 ICLUQUXJINMZRW-UHFFFAOYSA-N 439.497 2.398 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCC(C)CC1 1641724596 LYNCFHPJDZAFGV-LJQANCHMSA-N 449.617 2.458 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1644281461 BWNHQNXJMKONPE-UHFFFAOYSA-N 434.521 2.127 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCOC1 1649661803 BFWOSUIUSDPODJ-QHCPKHFHSA-N 440.548 2.307 30 10 IEEE C[C@H](CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 1658407048 IESZNEPGZAJXFD-QGZVFWFLSA-N 447.582 2.072 30 10 IEEE CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1659930649 HPKQOHOUQUIFHQ-ZDUSSCGKSA-N 428.352 2.494 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(Br)ccc2OCCOC)CCOCC1 1664298384 TUAWIOFORSNUTM-UHFFFAOYSA-N 432.336 2.325 30 10 IEEE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)CC1 1672541802 AVTUOAGVDJYSGI-QGZVFWFLSA-N 431.541 2.218 30 10 IEEE CN1CCN(c2ccc(Br)cc2NC(=O)NCc2ccc(C#N)cn2)CC1=O 1673010051 GSLRQNBOYGAAPQ-UHFFFAOYSA-N 443.305 2.316 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)CC2)cc1 1673558218 HEGRAHKILDVGOY-UHFFFAOYSA-N 433.512 2.406 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1674036120 LFJRZRQFBADBAY-LJQANCHMSA-N 426.558 2.478 30 10 IEEE C#CCN1CCC(NC(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 1685145632 MUXJRJPCLZYSJU-UHFFFAOYSA-N 435.613 2.106 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1686854772 CAWOGMWDNDQLSQ-DZGCQCFKSA-N 426.926 2.057 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCOC1 1689851435 QWLVSAVHTNZDGT-OPAMFIHVSA-N 433.553 2.002 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1689983736 GIZFSDZDZBLNTP-SFHVURJKSA-N 439.541 2.479 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689983847 HZTUEGAIPVVYOC-IAGOWNOFSA-N 440.928 2.210 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1689991802 CPUMAFIETKBLTN-GOSISDBHSA-N 446.573 2.169 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cc(C)nn2C)CC1 1690117694 RPNDBAYIUWHWCP-UHFFFAOYSA-N 449.559 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)Oc2ccccc2F)CC1 1690152562 PLEBHCZAGUKPCD-QGZVFWFLSA-N 443.523 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CC2)CC1 1690154447 OLIZNJUHPMHVCM-UHFFFAOYSA-N 439.585 2.370 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1690317205 VBEXLOAFPXGMHP-UHFFFAOYSA-N 442.539 2.459 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690565516 LQOOSAZGOBIEBL-PMACEKPBSA-N 445.589 2.256 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCOC1 1690571808 JPEYHUMVDWDJSO-LEDOBFOHSA-N 446.523 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C1 1690717273 AKSDZZWGZJXDNY-CYBMUJFWSA-N 442.383 2.493 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1690816811 PISDLHKJKPABRV-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1691364417 ONYUKKJBQBHUFO-UHFFFAOYSA-N 448.487 2.217 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1695025552 QHWCALOWCATECB-MRXNPFEDSA-N 441.536 2.062 30 10 IEEE CCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C#N)o2)CC1=O 1695856141 ULBNJIAKKJOTBK-UHFFFAOYSA-N 435.444 2.425 30 10 IEEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1697963593 LQLWMIIQYPZYLV-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@H](C)C2)CC1 1705644305 LTCXLFRKEPDJPN-ROUUACIJSA-N 449.559 2.327 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705734335 LMKUNOJPDVBBFQ-HSZRJFAPSA-N 435.532 2.425 30 10 IEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2oncc2C1 1705832466 YSYAGKIHFAKAGW-UHFFFAOYSA-N 428.518 2.413 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1705903390 UQOOLOOMDQSKEP-FQEVSTJZSA-N 449.559 2.063 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1705906625 KVHSETCNMSKHLK-HSZRJFAPSA-N 425.533 2.393 30 10 IEEE CC(C)(C)c1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706112201 DMCBVLFWUCPEEC-VHEBQXMUSA-N 442.564 2.499 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1706702036 JBYLITYPCZGVCH-HXUWFJFHSA-N 440.548 2.065 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)n1 1707731997 AGGKKERWSXKKIE-CQSZACIVSA-N 425.518 2.242 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1708759339 FKQBPRJETQVIPI-IVZQSRNASA-N 442.520 2.094 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)c1=O 1710190258 OWTSYYLHCUEEFE-UHFFFAOYSA-N 447.543 2.398 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)OC 1712151084 DZBKJQPCIUOAHC-YLJYHZDGSA-N 441.532 2.252 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCC2)CCN1S(C)(=O)=O 1712846094 RBOMDVMNJJUMNX-INIZCTEOSA-N 428.562 2.477 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4cnccn4)CC3)n2CCCCCO)cc1 1712881240 YNQGSBMDUMZBRI-UHFFFAOYSA-N 448.531 2.008 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1722297392 ZSVAACTYWNDALP-CEWLAPEOSA-N 441.601 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1c(F)cccc1F)N(C)C 1722424973 HABKBRQEORGTTA-LJQANCHMSA-N 443.502 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2=CCCOC2)CC1 1722445278 OJDYYKBMLHQRKU-UHFFFAOYSA-N 435.528 2.266 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722693787 AFGGAQHQWSNMCB-QGZVFWFLSA-N 429.521 2.171 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCn2ccnc2C)C1 1722709713 WNBXDNVMYJDGQL-IBGZPJMESA-N 427.553 2.281 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccco2)C1 1722720196 HXGHGIBPNTVFGZ-XMSQKQJNSA-N 426.521 2.422 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cn1 1722803673 OTESWFUCXZMXIC-QRWLVFNGSA-N 431.500 2.426 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722902526 WLWJUVDLKFTPEY-SKQREZPOSA-N 442.564 2.355 30 10 IEEE COc1ccc(OCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1730204178 DWHVNJJPNMXSRE-INIZCTEOSA-N 434.504 2.051 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740644861 XHKXTDYHZOVCPO-GOSISDBHSA-N 442.564 2.279 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1740650686 JPKVCYOVONJCDP-LJQANCHMSA-N 435.528 2.484 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CCCO1 1740685059 IPNLNKYDILXLOI-QHCPKHFHSA-N 439.564 2.107 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1740689233 SKQONVWNZUJWTL-FQEVSTJZSA-N 436.560 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCN2CC)CC1 1740705733 LXMFPJALEHRFKM-SFTDATJTSA-N 442.608 2.360 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1740718976 FGEOJQCDUYTDMR-UHFFFAOYSA-N 427.549 2.481 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740719824 RSQRCTJRMRXNBK-OAQYLSRUSA-N 448.589 2.389 30 10 IEEE C=C(C)Cn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740785975 KWMNNCUJDLWRAG-JTSKRJEESA-N 445.568 2.469 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740794902 KCOVCJYHRZOGBA-KRWDZBQOSA-N 444.536 2.070 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740860473 GABCYNMYZVWZGG-QZTJIDSGSA-N 442.516 2.433 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740955662 BWXFLLBMBPZKBV-UHFFFAOYSA-N 446.559 2.289 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)C1 1740977623 WZKABPAQZWTUNS-LJQANCHMSA-N 427.553 2.251 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(F)(F)F 1748404464 FHCLGGHMCROBSS-BBRMVZONSA-N 436.438 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748643040 SZTRNIDAMUETED-FHWLQOOXSA-N 442.564 2.128 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)N(C)C)c1 1748666607 DJDWDNUIQWUXJU-MRXNPFEDSA-N 448.527 2.408 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748808898 IKUGJZNWEPHTGG-WOJBJXKFSA-N 441.601 2.365 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCc2nccn2C1 1748860053 SEMXBGWOZKGIMC-LJQANCHMSA-N 430.512 2.398 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2cn[nH]c2)CC1 1748978809 PCUBDGRDNJPXPY-UHFFFAOYSA-N 440.349 2.429 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749024316 MLJDXZQZAMBMQW-WIYYLYMNSA-N 441.601 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1749066256 IXIOZIZVIZPGKX-LAUBAEHRSA-N 429.546 2.014 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC1(C)C 1749200508 XVGKZZDNZZYMJU-IBGZPJMESA-N 431.500 2.220 30 10 IEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1749245108 ZKRRPEHAPJXIOD-UHFFFAOYSA-N 449.559 2.371 30 10 IEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1749264585 AJKNKDQPWOYOBD-CQSZACIVSA-N 441.923 2.036 30 10 IEEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749459173 AMRGFNMLFAYLEX-UHFFFAOYSA-N 425.533 2.491 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1749487399 CREYPQYXDVLKLJ-NVXWUHKLSA-N 449.602 2.123 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CCCO 1750061843 ADWAKAPQGOKPGE-LPHOPBHVSA-N 427.509 2.296 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCCC2=O)C1 1750378210 DVNODTXKNDMPQZ-JOCHJYFZSA-N 425.512 2.499 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCS1 1752387487 HBBNHWUCAYOINM-AYOQOUSVSA-N 429.546 2.210 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H]2NC(=O)CC2(C)C)c1 1760128220 BUARCPDENFEUDM-LJQANCHMSA-N 436.560 2.448 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185045 OFQUSVKTFVMXDZ-HXUWFJFHSA-N 441.601 2.366 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1760192192 GBNFWOSLNBRBOJ-INIZCTEOSA-N 430.521 2.267 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC 1760209950 KMDMYRQCSULMRA-SFHVURJKSA-N 443.573 2.107 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)N1CCOCC1 1760224143 ZCRIREZINSLCFO-UHFFFAOYSA-N 449.555 2.186 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(C)cccc2C1 1760279922 BLPWVTMWLALGSQ-GOSISDBHSA-N 430.599 2.418 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760431484 RSPNNSMLBPJEHP-UHFFFAOYSA-N 427.553 2.407 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCOCC2)C1 1760549521 GPCFTAVYYDLJQV-FQEVSTJZSA-N 428.533 2.222 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1760627313 FSEWITABCCTQPT-INIZCTEOSA-N 438.879 2.124 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@H]1N1CCOCC1 1763082603 PZHCRVCSBMSQOX-QFBILLFUSA-N 446.502 2.255 30 10 IEEE CCOCc1nnc(N2CCCC[C@H](SCC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767904438 OGDDMQBVFIBMRF-JVMRMLDLSA-N 448.593 2.453 30 10 IEEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1769007858 SSCMPFJJCQDQFE-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)C1CC1 1769544886 HAISKXYIUMSGQS-QHCPKHFHSA-N 438.532 2.246 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C3CCC2(C)CC3)n1CCN/C(O)=C1/N=CC=CC1=O 1769966278 MAQSXAPZKRLASY-BGSIMGHCSA-N 444.536 2.050 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1770486880 BJJNNQVKAXVLHR-QVKFZJNVSA-N 430.484 2.334 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1770787808 XJBGQZYUMZZENE-FPOVZHCZSA-N 442.539 2.350 30 10 IEEE COCCCOc1cc(C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1771059169 BRKHICSPPZHICI-WOJBJXKFSA-N 441.532 2.283 30 10 IEEE COCCCOc1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)c1 1771061268 AVKXGFOIWGVUNA-HXUWFJFHSA-N 436.516 2.476 30 10 IEEE CSCC[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1772790751 UGGLHFPGEBUWAF-XJKCOSOUSA-N 430.482 2.038 30 10 IEEE Cc1nn(CC(=O)N2C[C@H](C#N)[C@H](c3ccccc3Cl)C2)c(C)c1S(=O)(=O)N(C)C 1851001853 TYXKZTLYKPRJKT-DOTOQJQBSA-N 449.964 2.169 30 10 IEEE CN(C(=O)[C@@H]1C[C@H]1C(=O)N1CCc2ccccc21)c1snc(N2CCOCC2)c1C#N 1851334247 HOKBBQMGFXPBNW-HZPDHXFCSA-N 437.525 2.040 30 10 IEEE O=C1C[C@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccccc1F 1851526492 NJIAZHIMTMIQEF-ZDUSSCGKSA-N 449.426 2.435 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C2CCN(C)CC2)CC1 1855593861 PGSLCJCPNDUJFP-UHFFFAOYSA-N 431.558 2.175 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccccc4C#N)C3)ccc21 1858416349 MVGHLHSHIVHPOY-GOSISDBHSA-N 438.509 2.117 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)Cc3ccc(F)cc3)sc2c1 1866006679 DODAIKHIZJHZJC-HNNXBMFYSA-N 434.518 2.408 30 10 IEEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CC=C)CC=C)cc1=O 1870387730 QOHGTAPMTWHMLX-UHFFFAOYSA-N 443.569 2.477 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCC(N(C)C)CC1 1870395868 PAFHOFHEAPUCJH-UHFFFAOYSA-N 438.572 2.256 30 10 IEEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871643346 BIISCRZUIZDSLU-UHFFFAOYSA-N 435.488 2.272 30 10 IEEE Cc1noc(CCCNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)n1 1892092870 PMBLJBZIMHRVJY-UXHICEINSA-N 427.530 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060624473 YKKGOBXYADYRRK-OUWJGKLISA-N 436.358 2.467 30 10 IEEE N#Cc1cccc(C(=O)N2CC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 2066585312 HHFMHWCYHRVFQO-OAQYLSRUSA-N 446.507 2.093 30 10 IEEE C[C@]1(NS(=O)(=O)CC2(C#N)CCOCC2)CCCN(C(=O)OCc2ccccc2)C1 2174782625 SFIRDYXFSAFXPQ-FQEVSTJZSA-N 435.546 2.417 30 10 IEEE C=C[C@@H]1CN(S(=O)(=O)c2c(N)cc(Br)cc2Br)CCO1 2190207279 HXUBEUKIEWPSHM-SECBINFHSA-N 426.130 2.369 30 10 IEEE Cc1cnc(N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224124681 OJUPNAONBVVHNM-INIZCTEOSA-N 433.358 2.419 30 10 IEEE CCN(CCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243422239 BBAFPOXTQQLXSD-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243668586 PHEHOBQFHISEDR-CYBMUJFWSA-N 425.360 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255596577 MXKALNSAZYBMHY-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255597634 RFLRLOZYGMMJIE-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255631919 GKGVDFMHCDWJHI-ZDUSSCGKSA-N 434.346 2.227 30 10 IEEE C[C@@H](CCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255819814 HIIJDMOCSJRFGO-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CN(C)CCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255831703 AABHMUVDGAAYOI-UHFFFAOYSA-N 426.370 2.313 30 10 IEEE CC(C)(C)OC(=O)NOCCC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256639702 FHLIMYADOHTZPW-UHFFFAOYSA-N 434.342 2.491 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(=O)O)Cc1ccccc1 2256929745 VTATVXINVDCHHH-UHFFFAOYSA-N 427.310 2.145 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258875044 ZIBYILWVAMSUNV-HIFRSBDPSA-N 434.346 2.227 30 10 IEEE CC[C@@](C)(CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2267116064 RBSIJJRBCHYSBI-QHCPKHFHSA-N 441.385 2.145 30 10 IEEE CC(C)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267518353 DOYHGYJXXLRYQP-UHFFFAOYSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267549563 NEPQQZOZLKRTST-IYBDPMFKSA-N 446.357 2.342 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCc3cnn(C)c3)C(=O)[C@@]12C 2297591275 AMLWFCFREPJGOD-QHCPKHFHSA-N 437.452 2.092 30 10 IEEE CCOc1cc(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)ccc1O 2329898768 COQGWYPANOWGTL-UHFFFAOYSA-N 427.486 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO[C@H]1C2 2334265408 IIUAPZSCBIDAAT-LIEFOEBCSA-N 448.325 2.133 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)n(-c2ccccc2)c1C 97024957 MMCIBAGSXBETAB-FQEVSTJZSA-N 449.555 2.475 30 10 IEEE CCc1nc(C)c(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 426657599 QCFYVAMMQTZCJX-UHFFFAOYSA-N 440.485 2.421 30 10 IEEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 430887583 FLPNSXKZWDFJMK-FOWVLEKCSA-N 426.517 2.422 30 10 IEEE N#Cc1ccc(CS(=O)(=O)c2nnc(N3CCCCC3)n2C[C@H]2CCCO2)cc1F 447490572 PWUPFDHIOVFFSX-QGZVFWFLSA-N 433.509 2.432 30 10 IEEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3cnn(-c4ncccc4C#N)c3)cc12 461746605 GEOUQMPCYZTCKN-LBPRGKRZSA-N 434.485 2.153 30 10 IEEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(C#N)cc1 466109505 VFQLKGBAORNWBP-UHFFFAOYSA-N 431.514 2.451 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 468612477 ZMMYWMCHTSIXNJ-OAHLLOKOSA-N 425.308 2.459 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)ccc1F 480866325 AFZXEKVJDDIDEU-MRXNPFEDSA-N 443.378 2.458 30 10 IEEE CC(C)(C)[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 481336363 BRAXBWBUMBSCPG-IEBWSBKVSA-N 434.562 2.168 30 10 IEEE COCCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCS(=O)(=O)C1 481965387 GZAGXNQJJCFXER-SFHVURJKSA-N 429.498 2.411 30 10 IEEE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 503274645 ZMFBIJZVIRPZAF-AWEZNQCLSA-N 433.266 2.113 30 10 IEEE N#C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1)C1CC1 505927738 CFCDNIUJQYZLHE-NWDGAFQWSA-N 432.365 2.472 30 10 IEEE CC(C)c1nn(-c2ccccc2)cc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 521321622 YXAJWXTUGBHGCD-UHFFFAOYSA-N 437.525 2.462 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)cc1 523265777 NMXFHVLIPQYGHU-QGZVFWFLSA-N 429.542 2.416 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1C 534938859 NKDFSZLRSMVWAG-UHFFFAOYSA-N 448.527 2.160 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CN4CCN(C(C)=O)CC4)cc3)cc2C1=O 538580389 BKNNDVULRPSTKT-UHFFFAOYSA-N 446.507 2.385 30 10 IEEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1C 540331651 WTMUQGAQSZPIFU-UHFFFAOYSA-N 429.527 2.447 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)NCCOc3cccc(C(F)(F)F)c3)CC2)n1 544876622 BCLGUUDNFSEAND-UHFFFAOYSA-N 433.434 2.289 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 554264201 PWUQJBQWWUIGGN-SFHVURJKSA-N 426.513 2.409 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)oc3C)n2C[C@@H]2CCCCO2)CC1 559193966 JPHSZBNDGDIGDU-IBGZPJMESA-N 442.564 2.148 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCCC(C)(C)[C@H]1C#N 569030760 LRPCQGYMOHDLKI-HXUWFJFHSA-N 448.589 2.176 30 10 IEEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 578455460 MEDRNISPOFUJAX-UHFFFAOYSA-N 430.516 2.423 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 578493021 PRPHBBCNMWUURB-MRXNPFEDSA-N 446.504 2.490 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCC1 610520996 AYQIKGSTIFVTNN-UHFFFAOYSA-N 449.559 2.131 30 10 IEEE Cn1cccc1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 619850462 RHIIYSYARPUKJZ-HXUWFJFHSA-N 445.527 2.297 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669814178 QXFCVFVYZHJXBV-UGKGYDQZSA-N 438.576 2.074 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)c3ccc(F)cc3)sc(=Cc3ccoc3)c2=O)CC1 727417626 IDGQSQCMUUMSBY-UHFFFAOYSA-N 437.496 2.295 30 10 IEEE O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)c1 729663443 ZMGLEOXKOSRPKP-UHFFFAOYSA-N 446.304 2.236 30 10 IEEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1OC 733319581 PPDKOXRSBSDSQV-OAHLLOKOSA-N 438.527 2.258 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)s1 736581384 DFEGAXBLUSZIRX-UHFFFAOYSA-N 442.610 2.122 30 10 IEEE C#CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H]1CCOc2ccc(Br)cc21 746260751 ZLDACXHORJZNNK-CQSZACIVSA-N 434.290 2.065 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@H](CO)c2ccccc2)c1 750591372 ZEZXHXWMXPECCJ-BJUXRVGASA-N 430.530 2.397 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2F)CC1 756891517 NJADMWLLTKSCOW-PKOBYXMFSA-N 445.539 2.456 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1 764079286 VGDJOXYJDKDVJV-WOJBJXKFSA-N 433.480 2.052 30 10 IEEE COCCCS(=O)(=O)N1CCC(OC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 774982376 WVGFGPCYNKBYLH-UHFFFAOYSA-N 446.529 2.040 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 784482468 PSNJTRQVBLCVLP-MNEFBYGVSA-N 425.514 2.132 30 10 IEEE C=C[C@@](C)(CCOC)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 784634811 SPVPFVQHSRGRFC-FQEVSTJZSA-N 427.519 2.102 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 802601044 YXFDJANNMJRJJH-JOCHJYFZSA-N 427.505 2.276 30 10 IEEE C#CC[C@]1(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCN1C(=O)OC(C)(C)C 808597821 WJRHXEYHIUFPTO-IUKKYPGJSA-N 434.533 2.493 30 10 IEEE CC#CCS(=O)(=O)NC(=O)c1cc(Br)cc(I)c1 810773404 CSXZQQABYQQGEU-UHFFFAOYSA-N 442.072 2.137 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C)C1CC1 814702491 SMQVXBNEYCENTE-OALUTQOASA-N 432.590 2.419 30 10 IEEE Cc1nn(C)c(C)c1CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 916695132 XYJIUMOXOAJTHS-LYBHJNIJSA-N 432.550 2.214 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3C)n(C[C@H]3CCCO3)c2=O)cn1 1116812895 KYWBVIBVUOFXLQ-GOSISDBHSA-N 446.532 2.080 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1=O 1128398524 OKUPSRVQDMJPBC-INIZCTEOSA-N 443.363 2.248 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)ccc1F 1129981927 PUIUITOGFHEDHS-SFHVURJKSA-N 437.537 2.201 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1136671697 PEYYYADPGTVSIS-OSCRUYLVSA-N 434.537 2.493 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC3CCC(CS(C)(=O)=O)CC3)ccc2c1=O 1141383508 TUWBLNZJHGZRIX-UHFFFAOYSA-N 435.571 2.204 30 10 IEEE N#Cc1cn(CCNC(=O)Cc2csc3ccc(Br)cc23)c(=O)nc1O 1148392716 GARBOIMHFGQYTN-UHFFFAOYSA-N 433.287 2.157 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CC1 1152967901 VAXKVDSOAPFLFG-UHFFFAOYSA-N 439.946 2.310 30 10 IEEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c(C)c12 1161735911 DVNNCCMFRDNZLX-UHFFFAOYSA-N 436.491 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C12CCC2 1163819038 BQDOFTIQSDMVGN-ZWKOTPCHSA-N 447.557 2.425 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C(F)(F)F)c1 1175354453 NJZXMAVXIOPLMW-GOSISDBHSA-N 426.416 2.287 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)nn1 1197055935 LRIAHAXCJZCEEW-UHFFFAOYSA-N 448.549 2.359 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 1235505083 BZRKZMDHULSBOD-WDSOQIARSA-N 434.500 2.090 30 10 IEEE N#CC1(CNC(=O)NCCOc2ccc(I)cc2)CCOCC1 1235580048 INOLABATPOYQGY-UHFFFAOYSA-N 429.258 2.290 30 10 IEEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)co1 1264225730 FSFLPWRTFBJYKU-UHFFFAOYSA-N 444.513 2.415 30 10 IEEE C[C@@]1(c2cccc(NC(=O)COc3cccc(Br)c3C#N)c2)NC(=O)NC1=O 1264676721 GOYXRZIUFZZRGO-IBGZPJMESA-N 443.257 2.393 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1N(C)C 1286374861 QFHHLOVKIJDWPD-UHFFFAOYSA-N 431.548 2.031 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286388922 CVMLNBUGZASKQV-PMACEKPBSA-N 445.564 2.224 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286394235 HWUPWUXQONEDEB-GOSISDBHSA-N 439.541 2.156 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCCN2CCCC2)CC1 1286494640 VUNZDSIVQXQOIM-NRFANRHFSA-N 442.608 2.014 30 10 IEEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286664690 BIHHWXUGFNXDKK-UHFFFAOYSA-N 444.601 2.405 30 10 IEEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1287103014 OFQZDZMDOMSLMC-KSFYIVLOSA-N 448.568 2.487 30 10 IEEE C=C(C)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1288354297 IIGFQAVXVRTRDO-OAHLLOKOSA-N 447.351 2.084 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@](C)(O)c1ccccc1 1290864954 FPHZPDZCYPYUIR-HXOBKFHXSA-N 432.532 2.261 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC#N)CC1 1297696039 DNSZKEJIZPMKJW-UHFFFAOYSA-N 445.545 2.281 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCc3c(OCC(N)=O)cccc32)CC1 1298211045 RLZRVZHEGXIQTE-UHFFFAOYSA-N 441.528 2.480 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1 1298747907 VXQOPIJXQYTRRR-HXOBKFHXSA-N 434.533 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2[nH]ccc2c1 1300579722 YVIROGAIUGHHJW-FQEVSTJZSA-N 435.553 2.367 30 10 IEEE CN1C(=O)[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)Cc2ccccc21 1300636673 QRDXWVODWZYLJM-FJJGWFQOSA-N 438.528 2.477 30 10 IEEE C#CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1300777820 DJNIDEHYMYHDKJ-GXTWGEPZSA-N 442.517 2.067 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1300965386 NCDDYMZPYHHILP-REWPJTCUSA-N 432.613 2.111 30 10 IEEE C#C[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CCOCC1 1301132522 KJPBGCUBGSOAKB-ISKFKSNPSA-N 445.519 2.045 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)cc1 1301403145 VRHYWRPEVVUXKM-UHFFFAOYSA-N 448.527 2.489 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301490638 XCOLBNBUEKBBSZ-MRXNPFEDSA-N 430.940 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)OC)C1 1301554498 HWBIQDZYLYGUFY-MRXNPFEDSA-N 438.532 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1301568282 QJPLPHACHOEAHX-MJGOQNOKSA-N 445.589 2.400 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1302441844 FVNIMDONZPJZPX-UHFFFAOYSA-N 449.559 2.086 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ncnn2C(C)(C)C)CCOC1 1303478968 SCFOGOYTCZTLJX-IIBYNOLFSA-N 430.557 2.452 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1310457163 WHZZGOZZQLRTRU-QAQDUYKDSA-N 434.562 2.087 30 10 IEEE CCCNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1313475168 AIZMPNRRZZFFGI-QGZVFWFLSA-N 438.305 2.394 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(F)(F)Br 1316176008 FSUMYRWYUCQAIC-GWCFXTLKSA-N 426.237 2.432 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1316229454 NBSBZTQNOQBULZ-DYESRHJHSA-N 430.484 2.083 30 10 IEEE COCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1316264087 OVCGBCFQYDEOBM-YJBOKZPZSA-N 435.912 2.463 30 10 IEEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 1318438272 FVQIAXSRWWHIFO-SFHVURJKSA-N 431.517 2.178 30 10 IEEE CSc1nn(-c2ccccc2)c(NC(=O)CN2CCCC3(CC3)S2(=O)=O)c1C#N 1355836678 HZLXVQNGRKTODJ-UHFFFAOYSA-N 431.543 2.363 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358961977 HXGJQPPWFCVJNN-ICSRJNTNSA-N 433.622 2.293 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCSC2)n1 1359028648 ZHRHOBUYYVNGNJ-OALUTQOASA-N 444.605 2.408 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1359035037 JEIUXZLLWYMLEH-LJQANCHMSA-N 427.524 2.318 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCn2cc(C)cn2)CC1 1359046027 BDFJJRFEFFWUJZ-UHFFFAOYSA-N 449.534 2.179 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359057619 DUPNJILLJSLQBA-UYAOXDASSA-N 446.665 2.222 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359471869 AYYALSDMCYZEEH-OAGGEKHMSA-N 431.541 2.225 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@H]1C 1359929672 LUJWYIULMKKSNV-KSFYIVLOSA-N 444.536 2.312 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1360476944 SULIYHBVNGNSJV-HNAYVOBHSA-N 436.472 2.438 30 10 IEEE COc1ccc(C[C@@H]2CCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1445459373 LTCLHMMHENLTBC-KRWDZBQOSA-N 427.526 2.358 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)NCCC(N)=O 1464766195 CKZNZPSHQCJGGX-HNNXBMFYSA-N 438.912 2.266 30 10 IEEE CC(C)CC(=O)N1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1469763489 AUUAGICEDQFQQS-HXUWFJFHSA-N 425.533 2.344 30 10 IEEE CS(C)(=O)=NCC1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1471979249 XXVCDCMWKBBHFA-UHFFFAOYSA-N 425.576 2.344 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)nnc1-c1ccco1 1472259992 XDTYNGUNIYTQSB-IRXDYDNUSA-N 431.562 2.264 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1 1472371987 SHZLTQGSMLQWCF-KRWDZBQOSA-N 435.546 2.280 30 10 IEEE COc1cc(NC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(F)cc1C#N 1476905541 DADWCLVBXAMWBC-UHFFFAOYSA-N 442.476 2.125 30 10 IEEE CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1497353873 GTVWVRQNUFWIFZ-QZTJIDSGSA-N 441.536 2.296 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1504787268 UJVQNWKSXOFTGM-CVDCTZTESA-N 441.532 2.397 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1504837598 TUCRCFIIDOPGKG-OAQYLSRUSA-N 441.532 2.254 30 10 IEEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1507577180 OOCQVSCNXPARAD-KRWDZBQOSA-N 446.349 2.381 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)c1 1507656973 MKFMKVDZQFSEHZ-UHFFFAOYSA-N 443.555 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccs1 1507667595 PEMOUEADJBIQJY-UHFFFAOYSA-N 429.509 2.160 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(C)c(OC)c2)CC1 1507726734 LFFGIPBEWUEFHN-UHFFFAOYSA-N 447.587 2.455 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1507958493 DMIKNTBGOPELLZ-QGZVFWFLSA-N 449.577 2.013 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1NC(=O)CC1(C)C 1507970023 CEIJVJKHMPEQDY-OAHLLOKOSA-N 445.593 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 1508138162 XUENFFDOZUYDNO-UHFFFAOYSA-N 446.621 2.499 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1508139054 CTZRDPSUNUORCD-HUUCEWRRSA-N 442.545 2.429 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)OC(C)(C)O2 1508414059 XVGRYTJJBNRIQJ-KBPBESRZSA-N 448.549 2.040 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCC1 1539155289 QEFXYRWHGXBUJY-UHFFFAOYSA-N 426.340 2.072 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CN(CC(C)C)CCO1 1539196796 YGUBIVOHXWQTEY-IBGZPJMESA-N 427.549 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2C[C@H]2C)CC1 1539434953 YWHVUKVEBMXOCT-AEFFLSMTSA-N 425.533 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCOC[C@H]2CCOC2)CC1 1539483277 VFNVTMHILCAIMB-LJQANCHMSA-N 445.608 2.276 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1539702031 XMDZPCPFBCVDQC-LJQANCHMSA-N 440.523 2.226 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cnnn1 1540072041 JDBGSCVGBSVUQI-UHFFFAOYSA-N 431.545 2.092 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CN(C)C(C)C)CC1 1540900944 NYCZBEQLHYITIP-UHFFFAOYSA-N 446.621 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1540903874 JHVAZPWNTOZQML-MRXNPFEDSA-N 441.598 2.182 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1541048930 HYMXZBYKLBNKOF-QHCPKHFHSA-N 440.548 2.241 30 10 IEEE CCCN1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1 1547177918 AYATXIKKCNTBJG-HRAATJIYSA-N 445.568 2.443 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1555154280 AKXUHWYFXNDITC-VPTFNQTCSA-N 429.546 2.255 30 10 IEEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OC 1558382993 RTFPGXURNKQBHN-KRWDZBQOSA-N 444.500 2.380 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 1562198036 ZSCAXSFFANXVRV-RTBURBONSA-N 437.562 2.325 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN1CC(F)F 1584640557 OKBMAHCDTCFEBU-OAHLLOKOSA-N 442.532 2.131 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)c(C#N)c2N)cc1 1587340751 FYUWKHNBXALFKN-XGWQRUHWSA-N 441.557 2.039 30 10 IEEE Cc1nc(SCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(C#N)c(C)c1C 1587711064 YIYPFYADBCFJCS-DLBZAZTESA-N 434.562 2.457 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588054282 MYVIZGOMEORZGG-ICSRJNTNSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)[C@@H](C)CC 1588124987 XWRANFQAIQIVSY-FXAWDEMLSA-N 432.528 2.326 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(OC)c(F)c1 1588171195 WHIXISCQPKAWPJ-RXVVDRJESA-N 426.492 2.465 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)C1CC1 1588560459 QNOGKYMEIPYSAQ-UHFFFAOYSA-N 449.534 2.445 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC(=O)NC1CCCCC1 1588612779 LLHPIIMMMXDRJL-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1588899791 WHMCRVULTBOQKH-UHFFFAOYSA-N 442.470 2.412 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2ccc(OC)cc2C1 1589109612 HHWAZQOFZCIEDC-UHFFFAOYSA-N 425.558 2.338 30 10 IEEE C=CCn1c(N(C)Cc2nc(CCOC)no2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595452995 HSDAVRARQDQJGI-GASCZTMLSA-N 447.540 2.443 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CCc1ccccc1 1596497613 KPJGRCPYLQBHHK-QUCCMNQESA-N 443.569 2.394 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)NC1CC1 1613320629 OXXPUCFEDGDTBJ-QGZVFWFLSA-N 436.564 2.444 30 10 IEEE C=CCN(C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@H]1CCS(=O)(=O)C1 1615932021 PBDIATNPHBYJQC-ZWKOTPCHSA-N 428.595 2.468 30 10 IEEE C=C[C@@H](COC)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1617155587 RIPAYDLEXALZGW-HNNXBMFYSA-N 432.952 2.357 30 10 IEEE C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1618499534 AURNMRPBBXQMTM-NURHGZAZSA-N 446.592 2.485 30 10 IEEE CO[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 1619011040 MLGONJQHQMDXFL-XWTMOSNGSA-N 446.552 2.203 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3nn[nH]c3n2)c1 1625035757 CMDVSNCAVUHOAW-JJIBRWJFSA-N 427.490 2.198 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)CNc3ccc(C#N)cn3)cc2)C1 1626040134 CNRAEUASZWMRMM-MRXNPFEDSA-N 427.530 2.102 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1627251807 VKKDGXGPOBCQSW-DZUCGIPZSA-N 427.467 2.129 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ncccn1 1629866660 JNWZRHUYAJDEDT-KRWDZBQOSA-N 427.530 2.439 30 10 IEEE COc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1631438094 JPNRKTGQGOLSPG-RKVPGOIHSA-N 449.529 2.176 30 10 IEEE Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 1632838486 BOAOGKDXVWNXCX-GOSISDBHSA-N 431.338 2.477 30 10 IEEE Cc1ccc(N(CCC(=O)N[C@H]2CCCN(O)C2=O)S(=O)(=O)c2ccccc2)cc1 1636545874 AHKHLXCJFFCDCK-IBGZPJMESA-N 431.514 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 1638066085 BZYMXDCXUQDEJX-XMMPIXPASA-N 425.529 2.293 30 10 IEEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1638464070 DUGGOWIVENQEMD-INIZCTEOSA-N 438.550 2.036 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1644638469 RWWXDGXBIIOFPX-RTWAWAEBSA-N 428.577 2.226 30 10 IEEE C#CCN1CCC(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)CC1 1652172837 JRHQSQKPNSFBRB-QGZVFWFLSA-N 427.574 2.458 30 10 IEEE N#Cc1cccc2c1CN(CC(=O)NCCN1C(=O)S/C(=C\c3cccnc3)C1=O)C2 1654086836 OFUQWDFJQIUNBK-OCKHKDLRSA-N 433.493 2.122 30 10 IEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 1660512931 GYTAEOPDJKAQAR-FQEVSTJZSA-N 441.576 2.444 30 10 IEEE COC(=O)c1ccc(CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 1668265046 HYRWWMZOYCCMGI-UHFFFAOYSA-N 437.500 2.259 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccco1 1689846247 HZIBURDLQRXFQO-YCRPNKLZSA-N 442.545 2.197 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCC(=O)NC(C)C)c1 1689870370 LSJLPGCGKCKILP-UHFFFAOYSA-N 445.527 2.311 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1690699643 HLRVMHVPYOKVHI-WOJBJXKFSA-N 425.533 2.313 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694130601 SAFMGRMKFDSSGS-SLNYWTKHSA-N 441.580 2.383 30 10 IEEE CO[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1697151305 ASIWNIGNTZPBDZ-FUHWJXTLSA-N 447.561 2.138 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705610488 QHQHZMCQMHUZJW-OALUTQOASA-N 428.562 2.004 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1705667619 YGPXYJHZFLQTIZ-LQBOVUBWSA-N 444.605 2.183 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(=O)NC 1705708315 ASHBSPIYYVTZJJ-XMSQKQJNSA-N 438.532 2.282 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1705878754 ZFTSYRONTKQMEX-PZJWPPBQSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705906156 VCXOQQJYYAZUPU-GOSISDBHSA-N 441.511 2.072 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCO[C@H](C)C2)C1 1705924491 DFWKITGBBUZOHT-NJDAHSKKSA-N 433.597 2.454 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705932720 IZBVQTZQMUSOGV-SFHVURJKSA-N 431.562 2.041 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)C(C)C 1706420419 PCZAWECIUGKIQU-UHFFFAOYSA-N 438.580 2.232 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1706517451 FOAZCLVQGTVECK-YADHBBJMSA-N 438.576 2.149 30 10 IEEE CC/C=C\Cn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709400921 MJFKQNLHENZDJA-YVMONPNESA-N 431.548 2.470 30 10 IEEE CCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C#N)CC1 1710823083 TWTDYWUEIDDKCI-UHFFFAOYSA-N 431.566 2.323 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1711287714 MPYPYFIKMWYYIS-UHFFFAOYSA-N 432.532 2.491 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722322567 LFWBTTTYPMDVKE-QPPBQGQZSA-N 445.608 2.282 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722332798 OYOINYAGCJCQNW-BXWFABGCSA-N 432.546 2.462 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2cccnc12 1722396813 LJNQPTIQDQJUNR-FQEVSTJZSA-N 433.537 2.240 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCOC1 1722419960 DWPUWKHQDIUIMB-HXUWFJFHSA-N 449.349 2.253 30 10 IEEE C=CC[C@@H](Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1722597147 QVVODQOLLDVGFT-CVDCTZTESA-N 425.533 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722724314 SZFDVVGUQAHDPY-MJGOQNOKSA-N 445.589 2.088 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1723773950 JCYFTGKMODNFMP-CQSZACIVSA-N 447.337 2.305 30 10 IEEE Cc1nccn1CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1725701633 LDRZYKNMOXSOMW-MRXNPFEDSA-N 427.459 2.471 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1=O 1728600282 NSERFRHIWQMFLR-UHFFFAOYSA-N 449.559 2.049 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1729452099 QJUBHIUYWUBIPQ-NKELODKYSA-N 446.552 2.425 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1729727786 AWSYDDQHJBAWBR-PMACEKPBSA-N 437.548 2.339 30 10 IEEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1730920928 ABEOGEUBTBHDFD-CYBMUJFWSA-N 425.331 2.305 30 10 IEEE N#Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(N)=O)CC2)o1 1731184598 PPAHQKZIFJMHGJ-UHFFFAOYSA-N 426.427 2.362 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740593283 CNPITNMMGLHECU-LJQANCHMSA-N 435.553 2.390 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1740623105 OFPMTXSIPUDHDU-SJLPKXTDSA-N 444.557 2.258 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740947932 MKXONVSNSOKVGP-FQEVSTJZSA-N 445.637 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1 1740987762 YRUWVAJCPBGMPZ-UHFFFAOYSA-N 447.952 2.119 30 10 IEEE CCCNC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1745801227 PAEDJUKTFAVGBW-LRAJWGHMSA-N 449.531 2.017 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)COCC 1747186900 CSMDJNJKHZZRSA-UHFFFAOYSA-N 444.584 2.118 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCOC1 1747657651 QWWVWBSNLMWJIK-LJQANCHMSA-N 438.532 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1748648864 FYPBIITZWIAIDC-IRXDYDNUSA-N 443.548 2.150 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1748810620 YQQROGJGKWXUSR-QGZVFWFLSA-N 446.573 2.253 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1748986886 KVRFEELCZFIWAM-QFIPXVFZSA-N 433.560 2.340 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2(N3CCOCC3)CCCCC2)CC1 1748989199 IEBAGTUXOFQAIP-UHFFFAOYSA-N 428.625 2.267 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C)CC1 1749040128 NWPPBCAPJOAEKA-UHFFFAOYSA-N 434.573 2.055 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749101670 FITBHSOHHULTBM-XHSDSOJGSA-N 428.375 2.236 30 10 IEEE CC(C)N(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1751219690 HKAYVFYMIBMZIA-YLJYHZDGSA-N 439.630 2.137 30 10 IEEE Cc1nccnc1CCn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1751814220 ARSFIGLTKYNWPA-UHFFFAOYSA-N 431.548 2.411 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC2(C1)OCCO2 1760161182 XWBKFSVCQSQQEW-KRWDZBQOSA-N 443.935 2.474 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cn(C2COC2)nn1 1760164728 YVWRIWFGAGMZEG-MRXNPFEDSA-N 437.504 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1cccs1 1760216148 CDRRAHZICPMEPR-QFIPXVFZSA-N 437.525 2.438 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1760235357 KVIHNKHPDSBIMZ-IBGZPJMESA-N 430.530 2.075 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](CC)OC)CC1 1760267346 ZRGHRVVTRJZGQJ-LJQANCHMSA-N 425.533 2.345 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1760357044 CLSBTUXSODMBSG-RXVVDRJESA-N 441.532 2.488 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760449124 BAOMPQMRMSYMEV-QGZVFWFLSA-N 427.505 2.230 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760525107 UKJSWLHLTFDZRT-HOTGVXAUSA-N 430.503 2.122 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760534014 YQOIHKROXNVLFD-UHOSZYNNSA-N 441.532 2.082 30 10 IEEE CC(C)OC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1761301737 DEFSYVFIEYWHDB-MRCUWXFGSA-N 428.537 2.151 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1761363063 BNAUHRDKRKLDPC-ZDUSSCGKSA-N 436.442 2.190 30 10 IEEE CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)CC1 1761548235 OKMVHOQLSJBIPQ-MRXNPFEDSA-N 444.561 2.205 30 10 IEEE CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)N(C)C 1764069457 FFYLDXSZSAAGQW-NMLBUPMWSA-N 434.585 2.097 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1768758588 GALAZCLANADXHA-QHCPKHFHSA-N 446.515 2.304 30 10 IEEE CC(C)CN1C(=O)COC[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 1848885242 XPNCIAJENXGBRK-CRAIPNDOSA-N 430.574 2.252 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCCN2CCC3(CC2)OCCO3)CC1 1850384124 WLHSZHBNSTUGHP-UHFFFAOYSA-N 449.555 2.278 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)[C@@H]1COc2ccccc2O1 1851220409 OXKWTRGZHXGGTJ-INIZCTEOSA-N 434.905 2.173 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2cncnc2)CC1 1854426644 YGQJJCYNWSPJRV-UHFFFAOYSA-N 426.498 2.327 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1Cl 1854604298 LXYYIIHOPMBFMD-AWEZNQCLSA-N 431.901 2.202 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@@H]1C 1854725419 BUINYDDFZIGAAU-MAUKXSAKSA-N 439.965 2.129 30 10 IEEE COc1ccc(SCC(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1 1854997641 CZZKRCCDBQWQEK-MSOLQXFVSA-N 430.574 2.225 30 10 IEEE Cc1cccc(OCC(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)c1 1857049772 XEIOWMLGRZUFKR-INIZCTEOSA-N 427.482 2.243 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)COC)cc21 1858752088 QNUSQLJLQNOVDX-AWEZNQCLSA-N 425.441 2.228 30 10 IEEE CC(C)c1cc(O)nc(N2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C)CC2)n1 1859428335 VQESCMGBXXBUAK-MRXNPFEDSA-N 433.516 2.191 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866866244 GEUCMRZOMQJNAX-RBUKOAKNSA-N 437.525 2.012 30 10 IEEE O=C(NCc1ccccn1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933865 QEZOPLCTCZNIKR-IBGZPJMESA-N 438.484 2.187 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCOCCCC 1870521183 ICSVYBXNRBWHNH-UHFFFAOYSA-N 449.592 2.371 30 10 IEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870576347 WVAYQDBBSDMDJX-UHFFFAOYSA-N 438.557 2.200 30 10 IEEE C=CCN(CC=C)c1nc(=NCc2ccco2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632770 UJKSFAYZYFYSBX-UHFFFAOYSA-N 445.483 2.068 30 10 IEEE C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC)c(OC)c1 1872597623 XSXHVRWATSLTBU-LJQANCHMSA-N 443.525 2.377 30 10 IEEE C[C@@H](C#N)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390518 GHHIJGRNNFISFY-DJJJIMSYSA-N 428.466 2.305 30 10 IEEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891415817 YPRNHFPYNZSZRG-GOSISDBHSA-N 445.479 2.439 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 1901324129 RUKXZSFUCUKCPE-MOPGFXCFSA-N 438.590 2.199 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1908210562 XEDSYVOGGXPHMD-YESZJQIVSA-N 439.553 2.027 30 10 IEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Br)c1Cl 2054293553 LRNUQCIODCXHMP-VIFPVBQESA-N 432.706 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060623820 QZEYFIUBVPDPBF-ZFWWWQNUSA-N 432.330 2.408 30 10 IEEE C[C@H](C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CCN(C(=O)OC(C)(C)C)CC1 2124534453 IDVXIXLHORFGMS-IKGGRYGDSA-N 449.401 2.478 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247778806 IEVCGWRBIKQDIG-MPBGBICISA-N 435.355 2.182 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255679556 HPLBFTVXIQLNHC-HSZRJFAPSA-N 442.390 2.414 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2255698485 QJBSHZHQMFTDPD-HOTGVXAUSA-N 433.358 2.500 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808758 OBKRDWYPMRPCBR-WMLDXEAASA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255829043 ZNXBXQDIRRQQOC-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)Nc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2255996651 XHOTVNFSJDLEKA-CQSZACIVSA-N 437.302 2.192 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256673450 CYPBPKVVNJPQHY-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256926051 ZXJWKJSFFXTRCV-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129480 BMXFCRJKXKCFFG-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCC1(NC(=O)OC(C)(C)C)CC1 2267486952 NSSWBWKYZZTKOR-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC(CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2267578344 YSRZJMPAIKIRJK-UHFFFAOYSA-N 447.385 2.069 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870780 IBMHCAPSCFFNCM-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE Cc1cc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282831879 FXNIWPWAZFWYAY-AWEZNQCLSA-N 443.396 2.272 30 10 IEEE N=C(NN=Cc1ccc([N+](=O)[O-])cc1)S[C@@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O 2297672165 LWWYOUKNMFDZLP-OAHLLOKOSA-N 441.425 2.217 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2312856298 DKQGSJCPGWEPIU-XIRDDKMYSA-N 429.326 2.118 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 2315389255 ZMANYSJXFXWDAM-IRXDYDNUSA-N 433.358 2.471 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2319669723 QCXHVVXILTVQCH-HIFRSBDPSA-N 435.334 2.076 30 10 IEEE Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324194679 HCRFDDIQHCXSKR-UHFFFAOYSA-N 439.468 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@H](CO)C1 2339289503 YFLLMDAHNFQYDT-SFHVURJKSA-N 443.353 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@]2(NCCC#CBr)C(=O)O 2348839979 MHBYQDFBDUVZRY-DIQHBZJVSA-N 431.327 2.095 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3[C@H]2CC=CCC2)C1 256033225 MOVZCVQOLZMIGM-ZJIFWQFVSA-N 425.489 2.493 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(C(=O)O)c(Br)c2)cn1 460764147 XDDAWZCNVDPYBX-UHFFFAOYSA-N 448.258 2.400 30 10 IEEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)s1 462585455 WDGWJRFNKASZJN-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 472023630 YYYUEUOBXOWKFE-UHFFFAOYSA-N 430.877 2.295 30 10 IEEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1 481055993 UZAAKAGVCBUAGO-KRWDZBQOSA-N 445.516 2.447 30 10 IEEE COC(=O)c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1C1CC1 487173238 NRJPCXLPAJMDAN-FQEVSTJZSA-N 447.495 2.218 30 10 IEEE COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 492514553 NIOIVFYGRWUOMK-HXUWFJFHSA-N 444.495 2.379 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)CC2)n1 492970581 CDUDSTVOBFMCLK-UHFFFAOYSA-N 428.443 2.422 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C1 505017990 DEDDAOHNCMVUOK-IRXDYDNUSA-N 446.573 2.444 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CCO2)c1 512255207 XJEFZSKPPPWZDB-IRLDBZIGSA-N 434.496 2.321 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 515662847 MEGOEHNZBKPVIK-UHFFFAOYSA-N 446.507 2.329 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 517885630 CEAHKHHQNOPQBS-JOCHJYFZSA-N 448.548 2.383 30 10 IEEE COc1ccc(-c2csc(NC(=O)CN(CCC#N)CCN3CCOCC3)n2)cc1 532568698 MQBYNHKEJKEEFX-UHFFFAOYSA-N 429.546 2.305 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)cc2C1=O 534185440 OLSWCBPVZDVLEJ-SIKLNZKXSA-N 433.508 2.081 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 543860865 QAYUNBQKDFCRER-STQMWFEESA-N 447.538 2.177 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N(CCO)Cc1cc(Br)cs1 558452232 FKHFNFVCULKVSI-UHFFFAOYSA-N 428.356 2.425 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 559002835 PHDGPNCVIMCSMB-KRWDZBQOSA-N 425.541 2.290 30 10 IEEE COc1cc(CNC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)ccc1C#N 569467073 UKAYNWDIMJBPBN-NRFANRHFSA-N 433.512 2.200 30 10 IEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3C#N)n2)c1 585173940 FVQOZBYASXOJET-UHFFFAOYSA-N 435.396 2.346 30 10 IEEE C#CCN(c1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 586229203 QHSDOVCWTOPEAV-UHFFFAOYSA-N 429.542 2.284 30 10 IEEE N#CC(C(=O)Nc1ccc(F)cc1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 603797241 CEPGGOIOQXYLTD-IBGZPJMESA-N 449.507 2.370 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ncnc5ccsc45)CC3)cc2C1=O 607529604 MUKCZSIVMOQOCH-UHFFFAOYSA-N 433.493 2.436 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1Cc1ccccc1 610487845 SMLNROVWQFNBEQ-APWZRJJASA-N 445.544 2.480 30 10 IEEE N#C[C@@]1(F)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 615664149 JGTAOGUJDONDHB-ZBFHGGJFSA-N 430.299 2.066 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 733889984 DTVNGUYVXBVFGT-YISVQYQQSA-N 447.333 2.308 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 742501413 UBOWAAXGKWLEJM-WIYYLYMNSA-N 444.576 2.335 30 10 IEEE COc1cc(CN(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 742525566 GAJZZYNNNYTSEV-AWEZNQCLSA-N 431.514 2.180 30 10 IEEE N#Cc1cccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 746568894 FRNCHNXMDUPPKT-UHFFFAOYSA-N 426.372 2.325 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 751510022 MOSLFQHKNIKCPQ-GOEBONIOSA-N 441.303 2.427 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(C)c3)c2=O)c[nH]1 753356696 GCIOBZGAVLNLAT-UHFFFAOYSA-N 447.516 2.194 30 10 IEEE Cc1cc(C)n2c(C=NNC(=S)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cnc2n1 755499226 OEPBWLJDWUKMMO-UHFFFAOYSA-N 434.529 2.464 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CCN1C1CC1 756780702 RGQGQPVMSPGWDZ-OAHLLOKOSA-N 447.326 2.375 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CCCC1 756912221 MFSZHIAROLAWGK-HDICACEKSA-N 433.574 2.301 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)cc2)C1 760299053 IGPCJICOHJJWEM-MSOLQXFVSA-N 443.573 2.399 30 10 IEEE CN1[C@H]2CC[C@H]1CC(N1CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)CC1)C2 779342773 SPFGLZDSAKQVMA-IRFCIJBXSA-N 430.556 2.466 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)cc1C#N 783337602 JGEIQPVLSORUEN-UHFFFAOYSA-N 437.435 2.195 30 10 IEEE COc1ccc(Cn2c(=C(C#N)C#N)sc(=Cc3cc(-n4ccnc4)cs3)c2=O)cc1 783941291 DICUDMLVTORJCP-UHFFFAOYSA-N 445.529 2.241 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cc1F 784126488 DBKPAKSCXBAOSX-KRWDZBQOSA-N 430.509 2.416 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)nn2C)c1 790002840 JQCZDFYKLMSGIJ-IBGZPJMESA-N 442.589 2.237 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C 798749884 OKDWKERBAGQWOA-GJYPPUQNSA-N 426.473 2.202 30 10 IEEE COC(=O)[C@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C#N)cc1 799599300 ZOKHBHLWGVERMU-QGZVFWFLSA-N 425.869 2.133 30 10 IEEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)[C@H](C)CCCCC(=O)O 814850752 BENYNQJGJWWHTI-OAHLLOKOSA-N 425.555 2.087 30 10 IEEE COc1ccc(-c2nnc(SCC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)o2)cc1 916178816 PZNGQTWYSMGOGP-UHFFFAOYSA-N 444.494 2.355 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)COc1cccc(NC(=O)c2ccco2)c1 916776054 PTQAAGCRDRLIPL-UHFFFAOYSA-N 439.449 2.429 30 10 IEEE COc1ccc(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cc1OC 1084066970 KSKANTBTNOCPJP-UHFFFAOYSA-N 434.507 2.159 30 10 IEEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)C1 1116538834 CDURZUYYYZGGHK-JKSBSHDWSA-N 436.553 2.226 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)c1cnn(CCC#N)c1C 1140828592 NSVOEFHKUAUEES-CQSZACIVSA-N 435.322 2.457 30 10 IEEE COC[C@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCCCN1C(=O)OC(C)(C)C 1141568774 MXKRPXCJDRIWCY-QHCPKHFHSA-N 443.548 2.408 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H](CCC)NC(=O)NCc1ccc(Br)cc1)C(=O)OC 1141995051 GYRKJJSCBSLSPL-HZPDHXFCSA-N 438.322 2.098 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1Br 1149050899 GPOFIQRIEGKXLK-QZTJIDSGSA-N 434.334 2.459 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCC[C@H]3N3CCC(O)CC3)CC2=O)cc1Cl 1152692690 ALUWNBAFUHPYOX-CDHQVMDDSA-N 430.936 2.059 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1=O 1153357466 DUCHKQUXGFXAFD-MOPGFXCFSA-N 427.501 2.038 30 10 IEEE C[C@@H](NC(=O)CNC(=O)CNC1(c2cccc(C#N)c2)CCOCC1)c1ccc(F)cc1 1174663414 WNRRWYZRQFGYGE-QGZVFWFLSA-N 438.503 2.286 30 10 IEEE COCCCn1c(S)nc2cc(C(=O)Nc3cnc(OC)c(C#N)c3)ccc2c1=O 1177480537 ROFATBBSCSYELF-UHFFFAOYSA-N 425.470 2.249 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CN2CCN(CC)CC2)cc1 1214686769 GYSFGYKARFEVKL-UHFFFAOYSA-N 437.610 2.031 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)cc1 1228655158 FZFGLLCXAPJMCZ-UHFFFAOYSA-N 437.496 2.361 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1286314044 JFNDSCBVHGZUFB-KRWDZBQOSA-N 447.609 2.292 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286340087 VYYCBCRQAOQAJG-FQEVSTJZSA-N 429.502 2.282 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286357961 QOZQMTAOSOFTKT-SFHVURJKSA-N 438.532 2.225 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286436094 UPJFFJCBBAOWFL-UHFFFAOYSA-N 439.520 2.252 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(F)c2)CC1 1286482454 RLMIAJDKPKWZGK-UHFFFAOYSA-N 434.519 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(OC)c(OC)c2)CC1 1286491627 ZKLHTAUNSATXFR-UHFFFAOYSA-N 425.533 2.066 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1286559969 BITTWJWNGCJVQR-MNEFBYGVSA-N 429.496 2.017 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CC(=C)C 1286779896 LHWPALYRKMEGJV-UHFFFAOYSA-N 445.593 2.251 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286782952 IPTWTZQSKPLAIG-CQSZACIVSA-N 449.342 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286783173 MMNIOVKGVSNPHO-UHFFFAOYSA-N 440.464 2.095 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1286968517 SBVGFIBPJHBHAU-IAGOWNOFSA-N 436.557 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1296599114 BOPSXVKTJAGGRM-CYBMUJFWSA-N 425.482 2.252 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1300310687 YTJFHGUQJBEKKR-YESZJQIVSA-N 432.546 2.114 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nnnn1CC1CC1 1300446695 QCNUFEPPFPDSDU-UHFFFAOYSA-N 436.520 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1ccnc1C 1300512233 SMWWZCSAAXTOSR-UHFFFAOYSA-N 434.500 2.249 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1300579474 RZXNIWJHEBNSGU-JGCGQSQUSA-N 448.552 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCc1ccc(S(C)(=O)=O)cc1 1300587251 QOJXZLMSBVURAY-UHFFFAOYSA-N 447.564 2.373 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCOCC1 1300604479 KRGMNEBBJIUPNZ-UHFFFAOYSA-N 433.516 2.077 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)c1 1300641392 FACGSZCYPDBTTD-UNMCSNQZSA-N 439.560 2.347 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC12CCOCC2 1300652983 GSXGXKWNDVLGPP-WMZHIEFXSA-N 432.565 2.221 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)CCCC)CC1 1300722982 OKPRYCXOIBJACB-FQEVSTJZSA-N 430.597 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCSC2(C)C)CC1 1300725744 JHEGDOHJTZXHIM-QZTJIDSGSA-N 431.606 2.280 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300754416 PPKPHJVPUKYPAM-IBGZPJMESA-N 428.606 2.199 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1301305474 YZPHNVHMVQMJJM-UHFFFAOYSA-N 430.559 2.383 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1303636238 MKEOQHHPVIHRAR-HNNXBMFYSA-N 443.533 2.278 30 10 IEEE N#Cc1cncc(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c1 1303863773 HVVUXKGCMRCALQ-UHFFFAOYSA-N 427.258 2.408 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)o1 1304324947 DVECLPCAWIBAGS-GOSISDBHSA-N 441.513 2.168 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCSCC(F)(F)F 1306192664 CERZLJCZZDMION-UHFFFAOYSA-N 442.515 2.376 30 10 IEEE CCC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1306566018 LVRTWAPEFYXKGR-GOSISDBHSA-N 440.548 2.460 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@H]2CCN(CC(F)F)C2)nn(-c2ccc(F)cc2)c1N 1312883661 DEELQOMSGYLMHZ-AWEZNQCLSA-N 435.454 2.036 30 10 IEEE CN(Cc1ccccc1)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCCC1 1313245923 BWNJRUBVFJROJN-UNMCSNQZSA-N 444.601 2.401 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1358918264 PFISDDITBFFULX-MBSDFSHPSA-N 429.565 2.229 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCC1 1358949555 GMBYZRQSMQHIEQ-SFHVURJKSA-N 432.569 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCSC1 1358971903 MXSCSOOTCVBMLX-KRWDZBQOSA-N 443.598 2.021 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1359062324 CVYMFHQRAKTAHO-HSZRJFAPSA-N 442.564 2.373 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359085076 AMQILGHNAMHXMO-HNNXBMFYSA-N 446.309 2.442 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCc2cnccn2)nnc1[C@@]1(OCC)CCOC1 1359105061 JGORFAJGEVHRHM-QMHWCDLVSA-N 442.564 2.380 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359177648 WKPOGBBPIQEODE-KRWDZBQOSA-N 439.486 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1359298100 MWFVDKHWOPEEDJ-SFHVURJKSA-N 447.543 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359330051 FGSQISGSRVJIHW-MSOLQXFVSA-N 447.605 2.473 30 10 IEEE C=CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359346168 CPSSPTJUWMYPPJ-OAQYLSRUSA-N 437.610 2.343 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)C(C)(C)C 1359848652 CDYWWDKZHTZXSM-UHFFFAOYSA-N 438.580 2.232 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCCO1 1360836844 BZJZPJXIDQALGD-RXVVDRJESA-N 429.546 2.399 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OCC 1438405736 WFCPPWPXLSCVJV-QGZVFWFLSA-N 431.924 2.368 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@@H](C)CC)c1cc[nH]n1 1441696655 SFULLOUEWWGIEW-SCLBCKFNSA-N 426.477 2.473 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)c1 1446950970 AVQDUDBSZGRKDC-GOSISDBHSA-N 447.532 2.378 30 10 IEEE C=CCC[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C(=O)OCC 1449725125 GSNIQWPONNHXAO-UZUQRXQVSA-N 427.501 2.390 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)Cc2cc(F)cc3c2OCOC3)c(=O)c1C#N 1457777821 GNCSMWMBUVVYNA-UHFFFAOYSA-N 436.237 2.418 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)CC1 1460860017 QJVMGXYSCCQYAZ-UHFFFAOYSA-N 425.529 2.054 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1464308458 BJINSZPKVRFXBI-QHCPKHFHSA-N 440.500 2.221 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)c1 1470672263 PWHJLEHJLKJECK-DEOSSOPVSA-N 448.571 2.118 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 1471040729 DXXCHRLDOXNTNX-CRAIPNDOSA-N 443.529 2.045 30 10 IEEE CC#CC[C@@H](CO)NC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1479292328 CLQJGXBUICJGBU-NRFANRHFSA-N 444.576 2.313 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCn1ccnc1C 1503108226 DUFLESSCDWPUPL-UHFFFAOYSA-N 449.563 2.393 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3C[C@H](OC)[C@H](OC)C3)n2Cc2ccc(C#N)o2)c1 1504130981 VFDCHJYFAOCTQG-BGYRXZFFSA-N 439.472 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1507511447 AQWYSHISUGERIF-INIZCTEOSA-N 445.951 2.251 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507630342 XGMJWEBAJDJYAC-AZUAARDMSA-N 445.589 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C)nc1-c1ccccc1 1507659417 VLTDGOBMQVLBLD-UHFFFAOYSA-N 441.539 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2CCOCC2)CC1 1507736394 KSVFTSZMPLWDNN-UHFFFAOYSA-N 425.508 2.477 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507788596 NMPBJRQMTYBUFM-CYBMUJFWSA-N 446.396 2.166 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507805607 KCLIBXQWQMCRDS-FXAWDEMLSA-N 437.610 2.072 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1507846958 ACDUCICMHURHJN-FQEVSTJZSA-N 438.532 2.426 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1507868495 LBOQSEIUJDLGDH-AWEZNQCLSA-N 430.958 2.055 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507954006 JWXSNYRAFHOUMQ-LJQANCHMSA-N 447.561 2.275 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507962741 WVJFXSSYSWGTHQ-IRXDYDNUSA-N 448.568 2.315 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(COC)CC1 1508081244 VYAVDBWRWFSTKK-UHFFFAOYSA-N 435.532 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](C)[C@@H](OC)C1 1508143036 CRIWSCAIIIDSJW-LPHOPBHVSA-N 436.553 2.470 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(C)CC2)C[C@H]1O 1517696220 XKZNRBSJJLEWKA-IEBWSBKVSA-N 439.516 2.279 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1518833691 KPCXGGKAUVMGEI-QGZVFWFLSA-N 444.879 2.422 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1520660399 URZYHKXWEZLBTC-IMFGXOCKSA-N 438.532 2.246 30 10 IEEE COC(=O)c1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n(C)n1 1538726478 JIWWESQJLUVTMB-RNFRBKRXSA-N 435.271 2.450 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1539112032 GHRUEKZARRERIL-UHFFFAOYSA-N 449.559 2.302 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539147217 DFXBGZIGBJYLAE-MOPGFXCFSA-N 445.589 2.386 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539218755 CLSMOLMOLKMKOF-RBUKOAKNSA-N 435.638 2.225 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539505553 LBKAEBVCNUECRF-SFHVURJKSA-N 447.630 2.386 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1539600256 POSZDFTZIBSWFP-WMLDXEAASA-N 445.383 2.096 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)CCCS(C)(=O)=O 1539603759 XLFHZYNZIMOUPU-UHFFFAOYSA-N 428.356 2.043 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539722334 DVPJZEZDBFFTIO-GVDBMIGSSA-N 425.599 2.291 30 10 IEEE C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1540370967 MJOVDERLDOTBKU-YLJYHZDGSA-N 430.549 2.066 30 10 IEEE C=CCn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540860688 HOTQYSCPAOBXAX-FQEVSTJZSA-N 433.582 2.381 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COC)CC1 1540881512 LFPUVFLJBSJDHC-HXUWFJFHSA-N 441.532 2.038 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1544403799 MZEPURYPTXOZNJ-FQEVSTJZSA-N 429.498 2.101 30 10 IEEE CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1547967934 PHPNIEIBSXFVEZ-QZTJIDSGSA-N 427.505 2.356 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1554856611 PPUXDBBSOUYVOM-JTSKRJEESA-N 437.504 2.072 30 10 IEEE COCCOc1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1555684391 IJDJATRZLOWVID-UHFFFAOYSA-N 433.516 2.253 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 1557386468 ILRMYUANAMERIE-IBGZPJMESA-N 436.574 2.492 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(F)cc2F)CC[C@@H]1C)c1cc[nH]n1 1558530334 CFCJZPDZUKEYLB-AWEZNQCLSA-N 449.458 2.099 30 10 IEEE C#CCN(CC(=O)NCCCN1CCCCCC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1560142916 IXEUXYGJHSCLNN-UHFFFAOYSA-N 448.608 2.230 30 10 IEEE NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1566687376 ZZFRLWZQHFJJOR-QZASMZLSSA-N 429.879 2.432 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)c(C#N)n2)c1 1584525359 CKIQXVHXQNTEFS-UHFFFAOYSA-N 425.264 2.150 30 10 IEEE CC(C)(C)OC(=O)[C@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1586804422 HKEBFGWKCZQQGD-SZNDQCEHSA-N 433.892 2.182 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1587894598 XPNFFGIDQGQPHT-QFIPXVFZSA-N 433.553 2.258 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccoc2)CC1 1588761982 DLFWYCJEMNCIHN-UHFFFAOYSA-N 437.500 2.367 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C 1588974772 AXHWQNPBOISRCA-UHFFFAOYSA-N 444.952 2.315 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1593806730 DODNIWZKYCSRHW-LBPRGKRZSA-N 428.902 2.185 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(OC)CCOC2)CC1 1594430500 NFGCYHHIBRVBGG-OAQYLSRUSA-N 431.562 2.478 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC2CC2)CC1 1595577246 MCQBCYXYXMSYHH-UHFFFAOYSA-N 438.576 2.308 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595650196 ZHWUNGWXWIAPHD-AVRDEDQJSA-N 438.576 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C)C1 1595766267 NDRDFPKSLASQAC-CQSZACIVSA-N 442.488 2.372 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1596821212 BXLHURDFUWONFD-BZUAXINKSA-N 433.557 2.328 30 10 IEEE Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)o1 1612036695 HMCBGCMLRJGYJZ-OAHLLOKOSA-N 444.517 2.125 30 10 IEEE CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1615649895 UORNJZXZSJGKCC-IAGOWNOFSA-N 434.541 2.158 30 10 IEEE CNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)c1 1618609984 BTJZYTFPTWZAQD-UHFFFAOYSA-N 435.532 2.052 30 10 IEEE N#Cc1cc(NC(=O)c2cc(Cl)sc2S(N)(=O)=O)ccc1N1CCC(O)CC1 1622843335 GRFAFBRFJXYULH-UHFFFAOYSA-N 440.934 2.134 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1 1623739846 AECUQWKTVOUSIU-ZOCIIQOWSA-N 426.498 2.105 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(c2ccccn2)CC1 1623897862 GGZJFCGRZKKHIL-QGZVFWFLSA-N 426.542 2.383 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)NCCCC#N)c1=O 1625048502 XJCXCLNYAMSEMS-UHFFFAOYSA-N 427.299 2.169 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C(C)(C)C 1626261643 BBWUILZULCLBAQ-QGZVFWFLSA-N 433.574 2.330 30 10 IEEE C=CC1(CC(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CN(C(=O)OC(C)(C)C)C1 1627702136 BOCWYOMPHFKTPK-UHFFFAOYSA-N 446.552 2.432 30 10 IEEE COC(=O)NC1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1630381216 GVZJKCILUHYSOT-UHFFFAOYSA-N 427.461 2.370 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)c1ccccc1 1630915124 ZWSOEJAASNXVBF-MOPGFXCFSA-N 432.929 2.364 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1631627869 GMHQUZPKRWHCOT-LPRCSBTHSA-N 449.470 2.171 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 1634324168 LDFOBXKWDDGWNA-HYBUGGRVSA-N 429.561 2.389 30 10 IEEE COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)N[C@@H](C#N)CO)c2n1 1636609458 OTRIVRAAFGNWOH-LBPRGKRZSA-N 433.390 2.435 30 10 IEEE C=CC1(CC(=O)NCCc2ccc(S(=O)(=O)NC)cc2)CN(C(=O)OC(C)(C)C)C1 1642824416 UBSLTYRXRHYPPT-UHFFFAOYSA-N 437.562 2.067 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCN(Cc2ccc(Br)cc2)C(=O)C1 1644112847 PUJUCGPSQORXJX-LJQANCHMSA-N 444.329 2.405 30 10 IEEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 1644926939 NFCNMGUCGGRHBH-UHFFFAOYSA-N 438.855 2.326 30 10 IEEE CC1(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)CCN(c2ccc(Cl)cc2C#N)CC1 1648709373 PTCIYSLEMGEMHT-ICSRJNTNSA-N 428.920 2.424 30 10 IEEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1cncc(C#N)c1 1652271497 OAKISEQYVOFCRA-RQMBKDMJSA-N 430.555 2.281 30 10 IEEE O[C@@H](CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1(O)CCOCC1 1655766539 DKTQEURGJNTSCC-MXWKQRLJSA-N 427.332 2.382 30 10 IEEE COCCN(C(=O)CSc1ccc(C#N)c(C)c1)c1c(O)nc(=O)n(CC(C)C)c1N 1656666475 HARHHZQTODZCMI-UHFFFAOYSA-N 445.545 2.139 30 10 IEEE COc1ccc(-c2cc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)ccc2OC)cc1 1658100071 HMZWSVDJNNZIMW-UHFFFAOYSA-N 435.440 2.326 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CCO2)cc1 1680526244 DNHCMZHLEMKSPU-RBBKRZOGSA-N 434.496 2.321 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1683313404 OSTRZTRDIKYAKT-KSZLIROESA-N 438.569 2.173 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)n1 1684772332 KBTJBNDNEDCMJE-UHFFFAOYSA-N 438.454 2.426 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 1686859742 WUBCHAPJINKRIR-IBGZPJMESA-N 441.509 2.346 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689879586 AQJQGWBNTFZZFC-DEOSSOPVSA-N 445.527 2.435 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCO[C@@H](C)C2)n1 1690109097 GVYMNRJICJLLAW-QKNQBKEWSA-N 442.564 2.427 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1690312824 DDJCXTNJLGRSKW-KRWDZBQOSA-N 434.537 2.475 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCC 1690567666 LEGVFZIOTBAUPK-UHFFFAOYSA-N 428.512 2.372 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690595221 QYXCBDLTEXWBSK-QRVBRYPASA-N 435.594 2.165 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCO[C@@H](C)C1 1690621821 AUFMQIGIOKOAED-OKZBNKHCSA-N 426.583 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N2CCN(CC)CC2)C1 1690697396 UQACWEKMEJGAAS-LEWJYISDSA-N 439.608 2.456 30 10 IEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690743809 FWMRVWMKCDCYSD-UHFFFAOYSA-N 434.610 2.028 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCc1ccccc1 1690993120 FQDGNFMNOZDGIV-QGZVFWFLSA-N 446.515 2.228 30 10 IEEE CC(C)Cc1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692157310 GHQBCFDFBMLOAM-DQRAZIAOSA-N 442.564 2.398 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1692615486 HCCCNZLRLPMXTE-UHFFFAOYSA-N 438.532 2.355 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccccn2)C1=O 1696874402 JBNWJRYKFDYBTA-HSZRJFAPSA-N 431.500 2.238 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1705506287 VENLNMCWAZXYLD-CMBDLQSPSA-N 435.594 2.375 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1705571201 XRWACOZDSHMAOC-LEWJYISDSA-N 447.649 2.369 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705628745 OBEVVGLLYPQXAA-IRXDYDNUSA-N 429.487 2.142 30 10 IEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1705683402 HACMVAFUGLINPG-SFHVURJKSA-N 434.294 2.284 30 10 IEEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705757188 CNFGXPWOXGNVTR-UHFFFAOYSA-N 428.968 2.216 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1705861542 IIYGYRVSMCUOJO-PZJWPPBQSA-N 438.576 2.390 30 10 IEEE CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1708778989 PZIOWVREPFJGQC-IEBWSBKVSA-N 425.493 2.456 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1722362824 OXZAGRMSUWQLIP-ROUUACIJSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN(C)C 1722375958 VRBZUKKQFPCTFN-UHFFFAOYSA-N 427.574 2.009 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1722450154 YVTUCNUWGBJNIW-JAXLGGSGSA-N 437.544 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)CC)CC1 1722450821 RVZDDKSRGXELRK-HSZRJFAPSA-N 443.523 2.123 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)cc1 1722476553 ZUISRAVXOBTLPX-XMMPIXPASA-N 434.544 2.131 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1722527926 CHEKDFPDBBYOAN-IRXDYDNUSA-N 449.577 2.269 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)[C@H](C)C1 1722783553 WYJWHQNBBBKROI-UTKZUKDTSA-N 438.532 2.069 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1722867186 FCMSTLLLSHPXJX-SZVBFZGTSA-N 448.568 2.218 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1740560785 PQHUKSKIHIGBCO-IEBWSBKVSA-N 430.574 2.355 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC[C@H](F)C2)n1 1740688392 FPLZFPBITMSXFA-QRVBRYPASA-N 430.528 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1740704197 JWGLPGBXVLQKKX-LEWJYISDSA-N 434.544 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccccc2)CC1 1740706227 UPOOEUCSCUUHSU-FQEVSTJZSA-N 437.544 2.217 30 10 IEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740784653 YHIFIXGSOHRREW-SFHVURJKSA-N 428.562 2.496 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740801900 HESNXWHAHNGQSU-AWEZNQCLSA-N 436.988 2.484 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1740859803 REAWKKNTAAOWFV-KRWDZBQOSA-N 431.562 2.407 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740951491 HBGJIOOFFKYGPE-OAHLLOKOSA-N 428.537 2.266 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740951668 KWZZNFISTZWVOW-IRXDYDNUSA-N 444.584 2.483 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(Cl)cn2)C1 1740970186 GRBVYXKVOFRXBQ-QGZVFWFLSA-N 446.939 2.423 30 10 IEEE CC(C)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741386144 ULWWYTDKFBETOK-XOMICKMZSA-N 438.536 2.077 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccc2F)CCOC1 1741733379 VOPULHURXQVDSC-PGRDOPGGSA-N 429.496 2.429 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1741798315 HQLMOKZUUJINAJ-KRWDZBQOSA-N 448.535 2.062 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748677044 BITPFWQUIWOLMB-AEFFLSMTSA-N 436.482 2.375 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748818733 FDSCUQYKCHZDRO-CMKODMSKSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCCC 1748892913 XXGFUAMPQJWLBQ-RTWAWAEBSA-N 445.633 2.298 30 10 IEEE COc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1748894004 BXOCLVGUUYEWST-SFTDATJTSA-N 433.516 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H]2CCCCO2)CC1 1749016708 LMTCXMVWHDXSBX-OAQYLSRUSA-N 436.560 2.189 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1749252561 SGVPYEPLYIKPED-AWEZNQCLSA-N 425.896 2.010 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCS(C)(=O)=O)CC1 1749285370 HFQGEZOKOUMWPX-UHFFFAOYSA-N 432.550 2.297 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1NC(=O)CC1(C)C 1749599850 NAHXWCMYTFZBEV-OALUTQOASA-N 441.532 2.344 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(C(=O)N3CCOCC3)CC2)cc1 1749683111 JIBLJORYAHLCOC-UHFFFAOYSA-N 425.533 2.275 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CS(C)(=O)=O)CC1 1760111307 ZCYASTORAJCXAB-QGZVFWFLSA-N 438.557 2.414 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NCC 1760113489 VQVQCOGZTLIHMZ-KRWDZBQOSA-N 438.580 2.072 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186634 PPAKXPPISULHCQ-HXUWFJFHSA-N 429.590 2.240 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1760254779 KUNQEXCGELJTRD-UHFFFAOYSA-N 447.992 2.321 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1760258708 BKTAOMBVTJXQSR-UHFFFAOYSA-N 441.601 2.284 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760264828 XPKXXKNZXITYLJ-PZJWPPBQSA-N 434.544 2.299 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760438862 PJOAJORRIYWRGM-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760517442 MMLNCPKTHPFXSK-GOSISDBHSA-N 441.923 2.003 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(C)C)CC1 1760528797 MQDWSIKNRRRSGD-UYAOXDASSA-N 432.613 2.466 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1760778005 FGZOZQXSBPSKOS-GVDBMIGSSA-N 432.525 2.258 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cn3ccc4ccccc43)n2CCS(C)(=O)=O)C1 1761545393 CNETVHKZTCCLJJ-OAQYLSRUSA-N 426.546 2.456 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)cs1 1762297802 YABAVRHYQCBYNN-SFHVURJKSA-N 443.577 2.155 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1766726698 FDOSFPJVPXZMST-OAQYLSRUSA-N 441.561 2.496 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)OCCn2ccccc2=O)[C@H]1c1ccc(C#N)cc1 1849278866 GLAGSIBXVWPEMM-RTWAWAEBSA-N 425.510 2.357 30 10 IEEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)cc1F 1853199987 JUMMTQDMUNMBAN-UHFFFAOYSA-N 436.422 2.452 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)ccc1O 1862737139 DOUMFZRAQLNGEL-SFHVURJKSA-N 428.397 2.270 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)c1 1862749493 ZIDNYDYEVJTDLF-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870331531 GXKXBFQAEPWPTJ-UHFFFAOYSA-N 426.517 2.084 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(O)c2)cc1 1874350017 QAXCYISKHNUVCO-SSDVNMTOSA-N 427.486 2.051 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874506013 JWWAPDPEJAJMSY-SSDVNMTOSA-N 427.486 2.126 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993457682 VJYWIVPHEBNYLH-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE C#CC[C@H](O)CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009817875 UKFYCDSRJMGUKJ-FQEVSTJZSA-N 429.561 2.436 30 10 IEEE Cn1ncc(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)c1I 2045315822 XSYXFZNRDFXIIK-GHMZBOCLSA-N 443.094 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(C#N)c(Br)c1 2141248427 PWOTZEUCHLIAHQ-ZDUSSCGKSA-N 425.283 2.418 30 10 IEEE N#CC1(CS(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)CCOCC1 2174785044 UOYNVSFWBWCMEE-OAHLLOKOSA-N 449.451 2.083 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)O 2180120431 VJYAEORTUPXJGH-HUUCEWRRSA-N 439.306 2.478 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)cc(F)c1C#N 2225622361 JHULKHODMYLXIN-KKUMJFAQSA-N 430.274 2.213 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1cc(Br)cc(F)c1C#N 2225622362 JHULKHODMYLXIN-QLFBSQMISA-N 430.274 2.213 30 10 IEEE CCN(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243673812 AQJGCYMSAWZHSJ-UHFFFAOYSA-N 425.360 2.316 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247904268 NPLCLMDUOWJJPK-RTBURBONSA-N 437.367 2.468 30 10 IEEE CCN(C[C@@H](C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248406388 XQRKAIFFKZXSJA-GFCCVEGCSA-N 440.375 2.091 30 10 IEEE CC(C)(C)OC(=O)NCc1csc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)n1 2255632432 MXYXRZULXJZVER-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256069501 NFNNPKCPGYNAOG-GOSISDBHSA-N 425.338 2.435 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090449 DBNPAUMDARKLGE-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267096320 JBFDGLBXTRUNEL-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267100274 SBKKDPOOQYVUMB-OAHLLOKOSA-N 446.357 2.180 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2267126119 JXZCHMGZABGHEO-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2267133701 GAZQLGNDXCTMEJ-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267146127 LANIKWSKDUARGM-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267272776 DAOKYZGWUXNCSE-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE Cn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267535281 UTMFTIAUTCPZEL-KDURUIRLSA-N 436.365 2.208 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268643052 JABFULQCAUMQQW-QAPCUYQASA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(O)[C@@H](N)C#Cc1cccc(Br)c1 2278735975 VMFUYMQERNHTBY-FRQCXROJSA-N 425.323 2.173 30 10 IEEE COc1nc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501867 QPFXHKLZGSHMAZ-UHFFFAOYSA-N 431.342 2.447 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204622 NIJGXKWXQATMLX-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339260580 HFFMSJHOWMALHW-QGZVFWFLSA-N 446.309 2.303 30 10 IEEE NCC#Cc1cnc(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)s1 2364282748 YNGAOQCFCCJOFR-UHFFFAOYSA-N 446.554 2.052 30 10 IEEE COc1ccc(S(=O)(=O)/N=C(\N)N2CCN(c3cccc(C)c3C)CC2)cc1OC 20857313 KVPKBYXUKCNSKI-UHFFFAOYSA-N 432.546 2.146 30 10 IEEE CCCn1c(SCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)n[nH]c1=O 33144164 LLBCRIXUWWQUGQ-AWEZNQCLSA-N 444.561 2.443 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N(CCOC)Cc3ccc(C#N)cc3)cn2)CC1 63787788 NOYKHHDFRLVLLB-UHFFFAOYSA-N 436.560 2.453 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)CC2=O)cc1C 96351106 ZLDKDECSTCBFRM-FQEVSTJZSA-N 430.508 2.354 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 109891096 JXDASOYXRYSPAP-SFHVURJKSA-N 433.493 2.268 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 444728608 GGFUZMGZGCKUDF-DAYGRLMNSA-N 430.496 2.092 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460569323 BYUZWNDRDYDQHC-HXUWFJFHSA-N 426.540 2.327 30 10 IEEE CN(C)c1cccc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 471512239 OCMCEKRDDDLNRO-UHFFFAOYSA-N 427.486 2.383 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)n1 477444890 QKLFLMSTFAGGSR-QGZVFWFLSA-N 441.553 2.001 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 477634889 BQRGAHVUXHVYQF-CQSZACIVSA-N 429.502 2.029 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3CCN(c4ccccc4)CC3)CC2)c(F)c1 484158446 BSNGFDPOLYRNGT-UHFFFAOYSA-N 449.530 2.379 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(-c2ccccc2C#N)c1=O 497580634 HXSAGOZDZOOBCZ-UHFFFAOYSA-N 431.521 2.013 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508473445 OLVATJWNAFAZPV-UHFFFAOYSA-N 448.549 2.472 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508870574 ABXGUAIXIWYFPX-AWEZNQCLSA-N 444.446 2.264 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2)nc1 508921603 KCUHIMSUYOVPHC-LJQANCHMSA-N 446.490 2.197 30 10 IEEE N#Cc1ccc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)cc1 510012466 NHWHLKKGXCRWQV-UHFFFAOYSA-N 436.287 2.313 30 10 IEEE CC(=O)NCCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 512459343 GLWDSQCHJSSWSP-GFCCVEGCSA-N 429.926 2.069 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 518925714 AUQMFWMKEFNDTR-KRWDZBQOSA-N 441.419 2.152 30 10 IEEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 536973031 FZTMNLPPIQKBJQ-JXFKEZNVSA-N 448.479 2.354 30 10 IEEE C[C@@H](c1cccc(F)c1)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 539372592 AOSSYQIUBIZGIJ-SJORKVTESA-N 444.532 2.270 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)c(OC)c1 558025582 UISMENJCCNMPCN-UZUQRXQVSA-N 445.516 2.183 30 10 IEEE C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 570763008 ZJVNFJAEIDVJSB-INIZCTEOSA-N 446.960 2.395 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 576865447 UBYBLEKIKMRPCP-WMZOPIPTSA-N 435.550 2.294 30 10 IEEE CCC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C(=O)N1CCc2sccc2C1 586863426 MNVRKJZYDUPYHN-SFHVURJKSA-N 442.516 2.245 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)cc3nc(O)[nH]c23)CC1 590415220 POIYGEADCXKHQA-UHFFFAOYSA-N 427.262 2.260 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)ccc1Cl 603956024 UIQIWAZUVZSGHT-UHFFFAOYSA-N 433.917 2.489 30 10 IEEE N#Cc1ccc(CN2CCN(c3ccccc3S(N)(=O)=O)CC2)c(Br)c1 615456272 SBJXGGRHAKYEQH-UHFFFAOYSA-N 435.347 2.290 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)c1F 619695320 LDLLDFPGMDYMKQ-UHFFFAOYSA-N 449.507 2.137 30 10 IEEE C=CCn1c(N2CCC[C@H](NS(C)(=O)=O)C2)nnc1C(F)(F)Oc1ccccc1 669804336 JSMMMSBCDLFFFA-AWEZNQCLSA-N 427.477 2.110 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 733785357 XCOQIWQZUBDKNG-JPYJTQIMSA-N 446.507 2.459 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H](C)c1cc2ccccc2o1 741340778 HERSSTIKNYMGIH-GRXMPZQUSA-N 425.441 2.458 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 745921163 WZHLASXSBIHONJ-CQSZACIVSA-N 432.912 2.080 30 10 IEEE COc1ccc(CNC(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1C#N 747070239 KHGLGQYXMHHXBK-FGTMMUONSA-N 429.542 2.480 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2N)c1C 750411600 JXLISKJKPXRUQQ-UHFFFAOYSA-N 429.498 2.393 30 10 IEEE N#C[C@@H](C(=O)CC[C@@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751825747 BQVZFVBNTCRFTH-APWZRJJASA-N 433.530 2.325 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 757914777 GIQYGZQFHUNHAG-DWRORGKVSA-N 446.621 2.339 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccn(-c2ccc(F)cc2)n1 767682520 WKHUYSHIIFQLCI-AWEZNQCLSA-N 428.445 2.293 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3ccco3)ccc2c1=O 769355364 PUFNCWBQSYAXBW-CRAIPNDOSA-N 441.509 2.429 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 771257857 UAJUXPJQRSKYSK-BMCXAMSBSA-N 437.566 2.316 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 780635386 CENBZGMMHSUFPJ-VFCRVFHLSA-N 425.526 2.389 30 10 IEEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 792091049 QXDZIQPFXURMBG-UHFFFAOYSA-N 433.530 2.435 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)CCN1C1CC1 792983635 FETGVUNPAFIEHT-OAHLLOKOSA-N 435.500 2.001 30 10 IEEE COCC[C@H](COC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 810168478 CYZYFVVDRMNQFL-XKAFOEQXSA-N 440.566 2.453 30 10 IEEE COc1ccncc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 814212721 WFSXFVJOXBWSRR-KRWDZBQOSA-N 447.586 2.351 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(C(C)(C)C)n[nH]1 814435569 MHHZNSCBFORYGX-AWEZNQCLSA-N 433.534 2.443 30 10 IEEE CCOC(=O)NCc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 916177580 HDIJZXVQYPRJMK-CQSZACIVSA-N 431.470 2.077 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCCOc2cccc(C#N)c2)C1 919025276 PZBVVJAKNQKKCM-KRWDZBQOSA-N 433.486 2.186 30 10 IEEE Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1125136228 QDJXZCSPJLFHGO-SILNSSARSA-N 439.515 2.057 30 10 IEEE CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1125790754 FZRNVPHHKKCBAW-RHSMWYFYSA-N 434.949 2.334 30 10 IEEE N#Cc1c(CCCNC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)nn(-c2ccccc2)c1N 1136182889 JRKBLMJKTQKKBO-LUAWRHEFSA-N 442.479 2.419 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1 1141285354 WXJWWQIUABMART-UHFFFAOYSA-N 425.510 2.435 30 10 IEEE N#Cc1ncc(N(CCN2CCOCC2)Cc2sccc2Br)nc1C#N 1186628140 YIRQQABSTMXGTJ-UHFFFAOYSA-N 433.335 2.383 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)n1 1189895964 FVKWMVZPLOTHAC-UHFFFAOYSA-N 436.843 2.421 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)cc1 1210347949 AXBDOAZHAYIDPM-UHFFFAOYSA-N 445.497 2.203 30 10 IEEE N#Cc1cc(S(=O)(=O)NC2CCN(C3CCOCC3)CC2)ccc1Br 1213623740 BKTOZJJHUPDUJE-UHFFFAOYSA-N 428.352 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1286294062 BCONWXOYUWIFQN-FXAWDEMLSA-N 425.533 2.359 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1286363405 NIRIRWMQLZGXRZ-XMMPIXPASA-N 445.608 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1 1286432420 JOGMCTOWPKXTQN-UHFFFAOYSA-N 435.528 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)CC)CC1 1286491116 GBQXAJDXFGDPCU-HSZRJFAPSA-N 427.524 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)Oc2ccccc2OC)CC1 1286491453 SDETWROWSRUQNH-QGZVFWFLSA-N 425.533 2.282 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286507923 GZFOQAPRBDWMHM-HSZRJFAPSA-N 439.585 2.297 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286513783 XPOPKEGARYUQRH-HXUWFJFHSA-N 443.621 2.293 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286537490 DFJONEQFJLGQQL-UONOGXRCSA-N 439.358 2.023 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286624664 MDYXEAXZFSUNSA-MRXNPFEDSA-N 425.880 2.042 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1286673326 WGJWJHKNGABNPB-MRXNPFEDSA-N 439.582 2.061 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1288268697 PQAYNHFTTUNJDN-QZTJIDSGSA-N 428.562 2.379 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1297769118 PMCVTVWXQCHLPM-OAQYLSRUSA-N 448.568 2.467 30 10 IEEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300352823 CYSKOBWAQLAVHA-MRXNPFEDSA-N 436.495 2.420 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300416174 ANTKDPAIIJNCIS-NZQKXSOJSA-N 449.603 2.056 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1300428505 GVZDIRXSGWTRGI-NRFANRHFSA-N 436.560 2.429 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300483274 KFBCQJURDWZLRK-GOSISDBHSA-N 444.557 2.389 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)CC)CC1 1300682862 KGMJJOYIHDFXNN-ZQHDKMAOSA-N 433.553 2.081 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1300766109 SKWOIEJTYLWHDL-UHFFFAOYSA-N 427.574 2.206 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C 1300788705 JQQGKNWCQJHUJZ-KSFYIVLOSA-N 443.621 2.489 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300887710 GCYBFCINQHAXEW-WIYYLYMNSA-N 441.580 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1300897683 UCVJIVGUXGVWMY-IKGGRYGDSA-N 442.568 2.089 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1300914589 DZBGHRACPKXEQA-BRWVUGGUSA-N 429.562 2.152 30 10 IEEE COCC1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301336042 SDZVYXFFEORHFG-DQRAZIAOSA-N 442.564 2.400 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1301391343 TUFQBSWAWPVGJV-GOSISDBHSA-N 429.546 2.365 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301507178 YUXRYEJVLMMYJW-HXUWFJFHSA-N 438.576 2.221 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1303641392 BAJVUWGHQLFSIS-VQIMIIECSA-N 442.545 2.434 30 10 IEEE CCc1c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nnn1Cc1ccccc1 1306892582 JCNNXTPHAHQOKR-UHFFFAOYSA-N 433.468 2.407 30 10 IEEE CCN(OC)C(=O)CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1312914463 PVUTYYOASWBTTN-OCAPTIKFSA-N 427.292 2.209 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1314403067 FINAYFXFEGTUFJ-KRWDZBQOSA-N 425.468 2.225 30 10 IEEE CO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1315187548 HSMRBZHPMFXEQJ-LAUBAEHRSA-N 430.459 2.483 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccccc1OC 1316205411 FXZKUMHAYJMZEO-XLIONFOSSA-N 440.548 2.236 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)c1 1350732731 ARRIBPMWXNTKCH-GFMRDNFCSA-N 446.573 2.477 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1358872738 YJDGJEUXBVKKJP-CHWSQXEVSA-N 429.468 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1NC(=O)CC1(C)C 1358994846 XQKFFTJZOKSUMZ-PMACEKPBSA-N 433.512 2.168 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359125283 WPNXFEWQJDTGSL-JOCHJYFZSA-N 427.553 2.320 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)Cc1ccco1 1359291262 JXKZWCBKSITBCX-UHFFFAOYSA-N 438.488 2.209 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359296991 ASQXFJRVSXTGLP-QGZVFWFLSA-N 444.967 2.202 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359304898 NAGXYVSPNPYGGH-ROUUACIJSA-N 441.532 2.173 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359346016 YECSERDENGCBQZ-MRXNPFEDSA-N 431.562 2.452 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(NC(N)=O)cc2)CCOC1 1359466670 FSDGPRBCAFNOHZ-OPAMFIHVSA-N 441.536 2.453 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCOCCCO 1359538818 HDQPARYUDAVCFO-UHFFFAOYSA-N 426.565 2.464 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOCC1CCOCC1 1360217942 ABWHNSZBTUGDNG-JOCHJYFZSA-N 432.569 2.380 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)N(CCC#N)CCN2CCOCC2)co1 1442496923 LSWDWRZWLAREDO-SFHVURJKSA-N 447.536 2.435 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)/C(F)=C\c2ccc(F)c(C(F)(F)F)c2)CC1 1443360185 UYSCYMQNPMTZSZ-SFQUDFHCSA-N 429.389 2.439 30 10 IEEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cn(C(F)(F)CO)nn1 1444875035 XQISZYQAARJDRF-LBPRGKRZSA-N 448.270 2.018 30 10 IEEE COc1cc(C(=O)NCC(=O)NCCOC(F)(F)C(F)(F)F)ccc1OC(F)F 1455452111 CGLNVZORFHOHOJ-UHFFFAOYSA-N 436.280 2.314 30 10 IEEE Cc1nc(O)nc(O)c1CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456597630 WWCBGOYJFWKSAH-YUMQZZPRSA-N 435.271 2.368 30 10 IEEE Cc1c(C#N)c(NC(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)n(C2CCCCC2)c1C 1460928410 IINVSOSAXCBCHV-QFIPXVFZSA-N 425.537 2.151 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1461033372 TWFWLGAGHQFULH-MRXNPFEDSA-N 440.481 2.456 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1461099912 RDVHVHSHNRKUPW-HNNXBMFYSA-N 435.299 2.214 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1462375432 GLGGTFZNXRENDU-PBHICJAKSA-N 425.551 2.473 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NCC(=O)NCC(=O)N(C)Cc3ccccc3)cc21 1467381677 SPSWFLQBJGEHAN-UHFFFAOYSA-N 434.500 2.119 30 10 IEEE CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1467710868 GBDLYVIIQLLSLI-GBXCKJPGSA-N 442.560 2.308 30 10 IEEE CC#CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1475917242 UJUIAXBSRDDTIF-UHFFFAOYSA-N 434.562 2.185 30 10 IEEE O=C(N[C@@H]1CCc2nnnn2CC1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1478843389 KZILQZNNVHWULS-IWSPIJDZSA-N 448.318 2.190 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C(C)(C)C)CCOC1 1502676299 HNXSIXBAPRCMTA-QFIPXVFZSA-N 432.569 2.223 30 10 IEEE CCOCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 1503162634 OMQNOKVPDDPKTD-IBGZPJMESA-N 443.596 2.190 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(C)C1 1503277640 PCYOCXGPTBQHFI-UHFFFAOYSA-N 444.561 2.215 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1503391016 HIOZSGBDADKFHQ-IBGZPJMESA-N 444.605 2.418 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CCO1 1505322691 SKOXNWJBALOXEZ-KRWDZBQOSA-N 426.864 2.237 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2)c1 1507550657 OCDOLIWFPDPOJD-GOSISDBHSA-N 434.525 2.395 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634208 MGBZKNPTWBWTRQ-WOJBJXKFSA-N 446.548 2.060 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1507750485 WQUBAMFVJSQRTM-UHFFFAOYSA-N 444.586 2.085 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@H]1C 1507809028 WBRZAPMSPNMLAU-NNXHMXCWSA-N 443.639 2.200 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1507821190 WDFIXZPFNNLXOE-LPHOPBHVSA-N 443.639 2.299 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507863031 AKEUXWZETYJXDE-ZDUSSCGKSA-N 438.319 2.473 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507926776 JIKOAGPBCLDULO-JOCHJYFZSA-N 443.573 2.421 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1507981708 ORYZDZBVZVEERD-INIZCTEOSA-N 436.557 2.077 30 10 IEEE C=CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066721 DREOKQUPAUZSAT-GBESFXJTSA-N 446.596 2.393 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1508709107 HSOFLJGOSUMBQY-KZNAEPCWSA-N 447.561 2.333 30 10 IEEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512113196 RACYVJPDARBUQA-GAVQXBFOSA-N 436.520 2.276 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2COC(C)(C)OC2)C1=O 1517404890 FMMLAPPWWSZLLK-HSZRJFAPSA-N 438.532 2.130 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1518832759 JIQMICNOBRMMPA-KXBFYZLASA-N 438.488 2.240 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)OC)ccc1F 1531650179 NPHGVYHLBDGOFD-GOSISDBHSA-N 432.473 2.343 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)n(C)c1 1532549576 ONFQRIUHXGNYCM-UHFFFAOYSA-N 444.557 2.363 30 10 IEEE N#Cc1ccc(C2(NC(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CCOCC2)cc1 1534972572 JTXNCHNXAQRUDJ-MRXNPFEDSA-N 445.566 2.281 30 10 IEEE CSc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 1537956964 WWCKUNPOKBHSPM-UHFFFAOYSA-N 431.539 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCCO)c(OC)c1 1539317668 FKRLATHAFCRAJK-OAQYLSRUSA-N 438.528 2.411 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1539344312 ZULAZGISLLBSFV-ZDUSSCGKSA-N 444.483 2.004 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC[C@H]1OC 1539417331 DFKIJPNTYPFAJU-OXJNMPFZSA-N 434.487 2.285 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2CCN(c3ccncc3)CC2)n1 1539424519 SAQSLPMBMVHBRN-UHFFFAOYSA-N 448.575 2.381 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539835927 JBHULNSNFUIGFD-GOSISDBHSA-N 426.546 2.255 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 1542894832 OMPNTDPTWLSHLU-MRXNPFEDSA-N 425.451 2.048 30 10 IEEE CCn1c(S)nnc1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1543513496 SSAFIWKZXHCSDJ-LQZXRHCMSA-N 434.566 2.032 30 10 IEEE CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1554485766 GQTNRKHAJDXUPL-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCn2cnnn2)cc1 1554893488 CCJONLUALXVNDQ-JOCHJYFZSA-N 435.536 2.279 30 10 IEEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1 1555720388 TYSONRRLNHXMKY-UHFFFAOYSA-N 447.561 2.142 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1 1586476626 IBXYIVZLFSJYMC-PGRDOPGGSA-N 425.554 2.239 30 10 IEEE CC(C)(C)N1CCC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1587056411 NLGYPRKTOOBDAZ-HNNXBMFYSA-N 425.489 2.492 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1588812242 QVJJUOBGQQDNRL-WOJBJXKFSA-N 439.560 2.403 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1589053556 QPLJVGRSSJNDGF-MRXNPFEDSA-N 438.557 2.174 30 10 IEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593865080 AFRMXMNPWCBIQJ-KXBFYZLASA-N 431.972 2.405 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)NC)CC1 1594127903 KAPZGSCRFGGNKT-UHFFFAOYSA-N 425.942 2.216 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCSC1 1595070839 OROQRXZPGXRNMR-QFIPXVFZSA-N 445.589 2.486 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC=CCO1 1595142184 OHSGASWMLLCTJX-HOTGVXAUSA-N 437.591 2.488 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1595517254 VELLBBLQFPDSML-MRXNPFEDSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1595569654 MJBORPZCGDUORK-CTNGQTDRSA-N 449.559 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(C)ccc1F 1595821329 BCZXKUKZZNNPNX-UHFFFAOYSA-N 449.552 2.085 30 10 IEEE Cc1nc(SCC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c(C#N)c(C)c1C 1596048518 GZJNNHULAICAMO-UHFFFAOYSA-N 426.498 2.497 30 10 IEEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 1596233613 LTOVFEBEXVXWKF-LJQANCHMSA-N 438.546 2.110 30 10 IEEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1598138609 ZZHYSNFAJIQNMD-UHFFFAOYSA-N 449.515 2.286 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 1598251285 LNSCLHRNKYBJCI-INIZCTEOSA-N 430.505 2.401 30 10 IEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1614499087 HAMUPDZURPBPQC-LJQANCHMSA-N 430.578 2.172 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615910625 CGPFYUQULCTBEQ-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2nc(C3CCOCC3)n[nH]2)CC1 1618706682 SGTILSAZXVRWGK-GOSISDBHSA-N 428.924 2.304 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCSCCCO)cc1 1620351156 WSQVCOLFANYNPI-UHFFFAOYSA-N 436.532 2.319 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C/CN2CCOCC2)CC1 1627454935 NPPQJOCZONHAAF-VQSDEBNRSA-N 433.350 2.046 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCC3CCN(CC#N)CC3)nn2)CC1 1627910023 QKQUOCVFBHFGLZ-GOSISDBHSA-N 445.568 2.206 30 10 IEEE C#CCN1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CC1 1634011412 GTXKSGRLZBWNOH-UHFFFAOYSA-N 443.594 2.276 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cccc(CNc2ncccc2C#N)c1 1634792517 YJJDJSJVSKZKQL-RBUKOAKNSA-N 427.530 2.013 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1 1643892192 DQVOGCJTUGQDIY-QFBILLFUSA-N 444.582 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCC[C@H](CC#N)C2)C1 1645301324 UMTJXYLGAUXQDM-OPAMFIHVSA-N 437.537 2.486 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 1648295611 MVSRRLZZWWTLMS-CQSZACIVSA-N 434.422 2.164 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1653159420 AYJFETIJAYFJMD-UHFFFAOYSA-N 429.386 2.309 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)c2ccccc2C1 1663521748 FZISBKHKIUAGSO-UHFFFAOYSA-N 441.328 2.299 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 1672882969 XWQQRFUHCHPIFR-UHFFFAOYSA-N 425.510 2.087 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 1681434570 PKLMLWJEHKKZDD-UOVPBQLFSA-N 448.545 2.050 30 10 IEEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)O2)[C@H]1C 1681515115 FRQKPGUAODTLID-QTLDVCJISA-N 426.517 2.325 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1685150399 UYJHQVPKZBFFHH-UHFFFAOYSA-N 425.493 2.283 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ncc(Br)cn3)C2=O)cc1 1686084775 SPOUEZMWBXGDLQ-OAHLLOKOSA-N 429.278 2.106 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCN4CCSC[C@H]34)CC2)c1 1687597111 XNWAIKJACXAZTG-WOJBJXKFSA-N 427.574 2.498 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2cnn(C)c2)c1 1689870660 WAARXLRPUZKOJR-UHFFFAOYSA-N 426.484 2.178 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1nnc(C)s1 1689950907 GBKNDXSPGGALQC-UHFFFAOYSA-N 430.559 2.211 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N(C)Cc1ccccc1 1689966080 KOKIFPQODVDAFM-AZUAARDMSA-N 429.590 2.160 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1690102329 IIJXFMKNPTUXPX-FHWLQOOXSA-N 430.597 2.072 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(F)(F)CC2)CC1 1690144180 OJZZUOCPQCUKHS-KRWDZBQOSA-N 448.518 2.021 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690230814 REXCHISYCPRVAC-LLVKDONJSA-N 425.356 2.209 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1690411843 VRZRHDOGXGYROU-GOSISDBHSA-N 425.599 2.246 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 1690442016 KWIOLPGVBWEWPQ-CYFREDJKSA-N 436.560 2.493 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)C(C)(C)C 1690518520 MUVNFXBDJBOZBY-UHFFFAOYSA-N 440.591 2.184 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN(C)CCC)C1 1690665730 NTGSRIJMHYDBFR-MRXNPFEDSA-N 431.972 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1690730183 ZLTVTCROTCDNNZ-SFHVURJKSA-N 438.525 2.132 30 10 IEEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1693293854 FFFSREIBDMVPEZ-LJQANCHMSA-N 426.546 2.397 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1695486296 WWKONCCBEVZTAJ-UHFFFAOYSA-N 434.566 2.288 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)CC1 1695936075 BSICAHVHVUDVHE-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN(C)C(C)C 1696331232 DTTLQVMDVPCRKX-UHFFFAOYSA-N 426.569 2.138 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1696656512 KAZHCTMTSRZABA-NRFANRHFSA-N 428.562 2.036 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1696891723 HOEQGBJZPXLIHI-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1OC 1696913132 CKJURJZOULLIOK-IMFGXOCKSA-N 440.548 2.362 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698386087 XKUCVKXQLGMKEK-SKOAFDGASA-N 446.577 2.030 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1698432457 YTHSECZJBVEJKL-UHFFFAOYSA-N 448.618 2.430 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705558763 HGRNCTBEUDFVFP-FXKZBUDASA-N 445.564 2.456 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1705565389 HIEVKCGFCAUFTN-IBGZPJMESA-N 444.605 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1CF 1705591423 PWUCLTVJQXTTNI-PKOBYXMFSA-N 429.521 2.189 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705615391 SEKCTTSRUBYNCL-UHFFFAOYSA-N 439.541 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)COC)CC1 1705700040 OBVTVDDOTNMFOQ-CUWPLCDZSA-N 447.580 2.232 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705736286 PWIIYTCWNJZSNN-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705895517 JIANWNPEVBLNNN-MRXNPFEDSA-N 430.940 2.205 30 10 IEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(C)(=O)=O)cc1 1706472952 BVBBMOQEQYTIKU-LJQANCHMSA-N 447.561 2.143 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(N(C)C)CCOCC2)CCOC1 1706661306 VXYZLVBRYFFUGG-PGRDOPGGSA-N 434.585 2.168 30 10 IEEE C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1706785244 HKMIXPRQXAVRFW-LJQANCHMSA-N 430.560 2.484 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nncn2C)cc1 1710537294 BPNBASNUERIMJD-QVKFZJNVSA-N 440.483 2.436 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)C1=O 1711271548 WKELXQGNDZRLQC-DJJJIMSYSA-N 435.315 2.459 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1(C)C 1712071323 GGNFPTGMIQEEPR-AEFFLSMTSA-N 429.546 2.113 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1722412944 FYZDRMIRSTWAAY-RBUKOAKNSA-N 446.596 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCCO2)CC1 1722433694 BSOKJPNQWTVCHN-LJQANCHMSA-N 444.967 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)C2CCCCC2)CC1 1722450270 BNGBNCHTGWAUSF-QHCPKHFHSA-N 431.581 2.112 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCSCCCO 1722475713 GPJLRFCARHFIGE-HXUWFJFHSA-N 433.603 2.377 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1722566653 WIZWXMILMHYSCX-GOSISDBHSA-N 431.562 2.237 30 10 IEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(=O)(=O)CC)CC1 1722582970 NGHGANMLYNYREO-UHFFFAOYSA-N 439.532 2.489 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722634472 PGEMHNGUJVFCRF-AUUYWEPGSA-N 440.953 2.243 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@@H]1OC 1722680960 DWPKHKKSLQPYFN-QMMLZNLJSA-N 444.532 2.481 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1722704833 XOOCTUJAQZJKEG-AUSIDOKSSA-N 425.533 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1722718526 SZFSRUGXJAAIHF-SFHVURJKSA-N 427.530 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](C)(CC)C2)nnc1[C@@]1(OCC)CCOC1 1722731497 MHWCWDDANQIBQI-WOJBJXKFSA-N 426.583 2.157 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1723716299 WECMQXABPGHZKX-QGZVFWFLSA-N 426.521 2.211 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1723769602 LNFCAAJHIUYMBE-SPLOXXLWSA-N 443.939 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1740539350 OQSWUZAAEYJHGY-INIZCTEOSA-N 443.573 2.065 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740576280 TZQLNBWIMJBVRV-JKSUJKDBSA-N 427.471 2.480 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1740607863 FVPFERKTNFEYJU-INIZCTEOSA-N 440.552 2.048 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1740663298 FTQHKZXNEGIWSN-HSZRJFAPSA-N 425.533 2.188 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)COCCO1 1740675488 DINOUHSGCGXWBS-QFIPXVFZSA-N 429.496 2.001 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](OCCOC)C1 1740747844 YDFYYEHYTKZWPJ-INIZCTEOSA-N 439.358 2.290 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1741075350 UHKSYFZNFPHVPQ-OAQYLSRUSA-N 449.559 2.228 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)cn1 1748664452 HBIVHDRQDPRXHS-CQSZACIVSA-N 427.509 2.279 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@@]1(OCC)CCOC1 1749048648 SNDUVWSEYIRXHN-XMSQKQJNSA-N 444.605 2.414 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749232554 OSSBGVVCZFCCBI-LJQANCHMSA-N 443.577 2.328 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749370866 RHYOPIASANORMQ-SFHVURJKSA-N 437.548 2.339 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1749934051 XAAPXXVHXAQAJC-LEWJYISDSA-N 438.532 2.117 30 10 IEEE CC(C)OCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1751041286 UCIKUCHLBUDFME-APWZRJJASA-N 426.587 2.224 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1751095154 UWZWSCPPEISKPS-BRWVUGGUSA-N 445.568 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1760125926 VXVOZEKWYMDBDC-JKSUJKDBSA-N 434.587 2.472 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1760155145 REXINULVAPTTLK-UXHICEINSA-N 430.574 2.462 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1760160835 PWWAZMNMMWLHOA-HNNXBMFYSA-N 432.484 2.375 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnc2n1CCCCC2 1760197334 TVYUJYYWWLUKBX-UHFFFAOYSA-N 445.527 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCN(C)C1 1760199466 ZTSFOCUNPREQEW-RUZDIDTESA-N 445.523 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1760316963 YWCPNVRAAVZPHZ-XJUOHMSHSA-N 441.576 2.130 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760370713 AZIGXZHZDBBSKS-UHFFFAOYSA-N 442.907 2.371 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760449608 OOUGCSFXYBEPAT-VQTJNVASSA-N 436.516 2.271 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1760504043 UKGYQVWRPAXYAP-FQEVSTJZSA-N 439.564 2.180 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)cc1 1768733143 CZXOZFSIAVLYBZ-PMACEKPBSA-N 433.509 2.176 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1769366467 PLBAKCCTQMVOPH-IBGZPJMESA-N 441.557 2.424 30 10 IEEE COCc1nc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)cs1 1769378373 APZLOHMZOHEQML-AXHNFQJDSA-N 436.513 2.095 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCc2ccccc21 1769845563 OBEAEVOEAIOYCU-AUSIDOKSSA-N 425.533 2.373 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)OCCO2 1771188714 PKJDLQXFNKDDMH-VFNWGFHPSA-N 431.468 2.264 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)C[C@H]1OC 1771341512 BXWLGFIUQWELRL-OYRHEFFESA-N 434.500 2.216 30 10 IEEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1771479955 IKBJIYAZYTUFCY-QGZVFWFLSA-N 425.562 2.181 30 10 IEEE COc1nc(=NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c(C#N)c(C)[nH]1 1851594507 QIOOMCKVTNJRIQ-HXUWFJFHSA-N 427.464 2.293 30 10 IEEE Cc1cccc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1C 1851709088 CPSCJYHETZCQEF-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)Cn1ncn(-c2ccc(Br)cc2)c1=O 1851844452 GSEJOYLEVNAXRI-UHFFFAOYSA-N 439.273 2.043 30 10 IEEE N#Cc1ccc(NC(=O)c2nccc(N3CCOCC3)n2)c(I)c1 1851896563 RENMBUNXVSFTTP-UHFFFAOYSA-N 435.225 2.042 30 10 IEEE CN1C(=O)CC[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)[C@@H]1c1ccccc1 1852268941 DUCCDGQEXMSAQK-GGAORHGYSA-N 447.539 2.228 30 10 IEEE CCCc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857033864 GQIWEPVSJNCDAI-FQEVSTJZSA-N 431.558 2.122 30 10 IEEE N#CCCCN1CC[C@H](N2CCN(C(=O)COc3ccc(Cl)cc3Cl)C(=O)C2)C1 1857174778 DDHWDQQBRQLBJA-INIZCTEOSA-N 439.343 2.421 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862696122 NEWXNHRGUJUFGB-IBGZPJMESA-N 443.452 2.379 30 10 IEEE COc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)c(OC)c1 1874354208 XOBLHHAMIQSRPQ-FOKLQQMPSA-N 441.513 2.472 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)CC1 1890179767 FSBAHNZBPBUZME-UHFFFAOYSA-N 428.533 2.165 30 10 IEEE Cc1ccc(Cn2nc(C(=O)NCC#CCN3CCc4ccccc4C3)ccc2=O)cc1 1890477408 RIHAMYCXHRNJNI-UHFFFAOYSA-N 426.520 2.392 30 10 IEEE CC[C@@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 1891026860 VQZXBUXSRGVIAL-HSZRJFAPSA-N 442.560 2.347 30 10 IEEE N#C[C@H]1CC12CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 1892070047 DBLUHTISRIFQQR-QAPCUYQASA-N 432.502 2.290 30 10 IEEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(C#N)c2)CC1 1892316244 HVROPXKXJDTMEC-UHFFFAOYSA-N 433.443 2.214 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060642477 XPWILVZKVLOVEU-CTYIDZIISA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@@H]21 2124521372 FZZXHDYYRIOUBM-YHUYYLMFSA-N 444.341 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2223257679 ULILWIOWWLYINE-OAHLLOKOSA-N 439.362 2.230 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224098743 ZAYOSEADNVTHNE-JOCHJYFZSA-N 433.358 2.237 30 10 IEEE C=CCC1(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2244276116 PZKUKYIZFGYXRV-HXUWFJFHSA-N 427.542 2.192 30 10 IEEE CC1(C)OB(C#CC(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)OC1(C)C 2255595195 PGVFKWDJIAJHTQ-MNOVXSKESA-N 442.165 2.222 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@]12CCCOC2 2255602631 VDSMUJROLBWERY-ZHRRBRCNSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255631006 SEIOHCGOSWETPQ-HDJSIYSDSA-N 434.346 2.275 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255632385 MJSKUMFPKGGBDJ-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)ns2)OC1(C)C 2255638193 JLOFZHYDRAYBKO-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255835307 UUSXJXXIJQPEDQ-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256014077 KNWPGQRHUVKGJB-UHFFFAOYSA-N 436.314 2.268 30 10 IEEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256668581 CEMFTCKMXPOHIC-CZUORRHYSA-N 435.330 2.248 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267178086 XJUSRVXSGQIQKT-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267259949 HKPAOEXOGFDIHO-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE CCn1cc(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267498577 VGIQTCFMZLXNBK-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2267589960 IICGQQSMPZWJBW-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1O)C2 2267680205 RXLQDYICZUJVRF-FATZIPQQSA-N 444.337 2.431 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269073627 MPEZCCUHOKACOE-BEFAXECRSA-N 440.305 2.169 30 10 IEEE COC[C@]12CCN(S(=O)(=O)N(C)C)C[C@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 2297648483 FRRXMHKDROKOFE-CRAIPNDOSA-N 446.495 2.158 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)COCCN(C(=O)OC(C)(C)C)C1 2306353436 ZXXHVLIJOITVDX-OAQYLSRUSA-N 443.541 2.138 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263287 XWOYQEBYUQGQTB-UGQVUOCMSA-N 446.357 2.131 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)n1C 2337285064 JEGGLLDVNXMVOZ-APWZRJJASA-N 438.381 2.421 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339420916 PXONFDPUYWBPKJ-UHFFFAOYSA-N 442.296 2.219 30 10 IEEE CN(CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)S(=O)(=O)c1ccc(F)cc1 29984434 HNVPGVNHSOOTJD-UHFFFAOYSA-N 444.532 2.052 30 10 IEEE N#CCCN1CCN(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C(=O)O)CC1 32961682 HQYRVYBAOIIBKS-UHFFFAOYSA-N 432.477 2.360 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)nc1C 170554205 QLOLWMBPCAAEDJ-UHFFFAOYSA-N 442.453 2.307 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)C[C@@H](C)O1 443346945 NTYCRIHNQTXOIL-OQSMONGASA-N 426.517 2.321 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(c2ccccc2)CC1 479668926 WUQABHATFAWZOK-UHFFFAOYSA-N 433.556 2.234 30 10 IEEE COc1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc(OC)c1OC 487136789 KPWLGEJIFIDHLO-UHFFFAOYSA-N 449.504 2.230 30 10 IEEE Cc1ccc(CCC(=O)NCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 503678810 HGKBXACTWIYEEK-FQEVSTJZSA-N 436.537 2.456 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 511738953 ALYRRWZVUSHNLG-UHFFFAOYSA-N 446.486 2.433 30 10 IEEE COC1CCC(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 543467201 DEOMIYHXKLOBLE-UHFFFAOYSA-N 434.562 2.169 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 549285039 CJZFYUZEUFIOEZ-PXNSSMCTSA-N 445.589 2.082 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 553682409 GDSYZUJRAYCUMX-SJORKVTESA-N 434.496 2.244 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 558274756 GTNAPHMGGCMKLC-UHFFFAOYSA-N 439.463 2.399 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)CC1 562022279 ZYJGTTPAXCPUGG-UHFFFAOYSA-N 432.575 2.379 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 571007613 SAIJTXBELFXJJM-UHFFFAOYSA-N 438.557 2.263 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ncccc2OCCCC#N)C1 608868629 BHARBWCIAUDTJS-INIZCTEOSA-N 447.517 2.408 30 10 IEEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 610793806 OLKDOGYTCNNXAY-ZDUSSCGKSA-N 432.477 2.029 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 610967599 LDXXUUTVFIHQIN-IBGZPJMESA-N 448.571 2.451 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 611238447 JXCYBGRFNUZRJO-RBZQAINGSA-N 443.551 2.242 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)CC1 728534385 IYZNHDWJVUGCCP-UHFFFAOYSA-N 441.535 2.355 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1OC 729428686 GJKXFODKZLVVBT-GOSISDBHSA-N 431.514 2.322 30 10 IEEE COc1ccc([C@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 732441084 FDTAVJCSHPQFTN-JCNXWTJJSA-N 437.294 2.344 30 10 IEEE COC(=O)[C@H](NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(C#N)cc1 739989490 JPKRYKUHOBNYBF-PZJWPPBQSA-N 443.525 2.019 30 10 IEEE CCN(C(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1nc2ccccc2s1 741339904 CHRULDHMDBCCAS-VHEBQXMUSA-N 428.470 2.109 30 10 IEEE N#C[C@H](C(=O)CCOCC1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751826977 MJBCIZXDDDQSBX-LJQANCHMSA-N 433.530 2.325 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(Br)c1 753787927 DIKKLPPYIDQJNX-OAHLLOKOSA-N 430.327 2.186 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(Cl)c2)C1 760299042 HVZXQSXBGSZDBF-HUUCEWRRSA-N 437.953 2.211 30 10 IEEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c1 766837600 MNMABQHAJNZFQL-GOSISDBHSA-N 427.482 2.412 30 10 IEEE CC(C)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1 771537069 JIGMUCXKSOHOKY-QGZVFWFLSA-N 441.561 2.176 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1-c1ccccc1 772902724 WEBRWFOXZDHIDI-UHFFFAOYSA-N 440.528 2.475 30 10 IEEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)cc2F)CC1 777315412 ZQQJMASFGAGUAU-UHFFFAOYSA-N 430.505 2.099 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)n1 788555223 QMUCNSWCIVAOLW-UHFFFAOYSA-N 447.561 2.274 30 10 IEEE CN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1ccc(S(C)(=O)=O)cc1 789985085 YLQBZOCXPZPQBG-UHFFFAOYSA-N 449.579 2.436 30 10 IEEE CC(C)(C)OC(=O)CSCC(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790841791 LVWLRDRPSBMYNF-UHFFFAOYSA-N 449.348 2.201 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCCc2cc(Br)ccc2F)cc1C#N 793826369 IFGXTQDNCWZZJL-UHFFFAOYSA-N 434.265 2.444 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@@H]2CCSC2)C1=O 794440491 DZBMXZXVDFMYPX-CZUORRHYSA-N 442.557 2.470 30 10 IEEE O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cccnc2F)C1=O)NC1CC1 794441226 NRIGZLSDFQFOMO-SZTNPAGBSA-N 427.505 2.327 30 10 IEEE COC(=O)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 918547318 OCXFQFLCZWLMHK-CYNURGJPSA-N 436.534 2.306 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c1 1141489414 XZOCBQGSZLDTGZ-UHFFFAOYSA-N 425.554 2.036 30 10 IEEE CN1CC2(CN(C(=O)[C@@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C2)OC1=O 1142458859 BSZGVVKDELXHME-KRWDZBQOSA-N 426.473 2.056 30 10 IEEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1143652509 MNIUKDQOPRGRHQ-FHLIZLRMSA-N 449.573 2.345 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)C2=O)cc1 1143719649 CQIFFBNMNVUKKU-OFVILXPXSA-N 445.523 2.371 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC(N3CCN(C)CC3)CC2)nnc1-c1ccco1 1152061472 ZEUFABKWESNHPH-UHFFFAOYSA-N 444.605 2.445 30 10 IEEE C#CCC[C@@H](O)CNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1155520513 GEWVQTVDDQUCIS-RTWAWAEBSA-N 440.544 2.258 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCn3c(S)nc4ccccc4c3=O)C2)nc1 1156247728 QEWPTIYHVZICHL-INIZCTEOSA-N 434.525 2.445 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 1175202043 ANQKKUDFRYBISA-MRXNPFEDSA-N 440.573 2.455 30 10 IEEE N#Cc1sccc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1212490044 FGJKRCTYCIXKBQ-UHFFFAOYSA-N 438.918 2.115 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1286291086 VOHHGPXMQMAOAD-MRXNPFEDSA-N 442.527 2.159 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286315767 ZMBJKRKSIUGMHW-MSOLQXFVSA-N 433.582 2.038 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286335499 KJDFACUCKXIBRO-UHFFFAOYSA-N 425.533 2.452 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1286432458 LGQWBJUERQWPML-NRFANRHFSA-N 436.535 2.305 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286439441 WUOHGVSUIHWGNH-OAQYLSRUSA-N 433.560 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N(C)CC 1286460675 PNRDVIDWSNQROV-UHFFFAOYSA-N 434.338 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1286488955 ZPBGXSVITHMVHU-UHFFFAOYSA-N 431.924 2.271 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nccs2)C1 1286545888 CNZZFVSRHWMEAX-ULQDDVLXSA-N 446.577 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1286820323 JKVNAKIXLGUMKQ-SFHVURJKSA-N 448.545 2.486 30 10 IEEE CC(=O)NCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1286949375 IEFCDGGLRSXXCN-UHFFFAOYSA-N 434.342 2.312 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1Cc1ccc(C#N)o1 1288154327 FGHXBMVMJLPPJP-UHFFFAOYSA-N 437.479 2.395 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1288716119 ATCSJDQAAXIVNM-HOCLYGCPSA-N 431.541 2.130 30 10 IEEE CCNC(=O)c1cccc(Cn2c(CC)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1296282823 QKGFHYJWXMTMPX-UHFFFAOYSA-N 431.500 2.173 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)/C=C\[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1296472269 NLHRGXOQYPHVHM-GIFJBRJJSA-N 442.564 2.452 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1296969302 DTHZIGFTRXMSAO-MJGOQNOKSA-N 429.517 2.089 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC1(F)CCC1 1298198084 DVKMISJNIVREMK-UHFFFAOYSA-N 426.496 2.394 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300353595 LKGQJQHNRZXVRQ-UHFFFAOYSA-N 435.576 2.278 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1300482483 GFWHGNJRPFKNKE-OOFWQKGWSA-N 429.502 2.446 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1300548290 YWEMHRZLQIXDOL-KRWDZBQOSA-N 438.536 2.083 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300648477 FBUIKUYIBDLVFH-IBGZPJMESA-N 445.564 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCC)CC1 1300723336 SEIKWZRPTDFVGV-UHFFFAOYSA-N 426.521 2.162 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1300732765 ORONEPXODIQJBS-IBGZPJMESA-N 443.573 2.369 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncc(Cl)n1C 1300756145 GOYMAJQQIUVQBV-UHFFFAOYSA-N 447.952 2.396 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1301198793 CPALCQCNZRLNSV-SBUREZEXSA-N 439.516 2.052 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1301327123 NBDOZKCPUDDVEC-OAHLLOKOSA-N 439.582 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)CCC)CC1 1301491965 SYRLDTOXAJOEFS-UHFFFAOYSA-N 435.532 2.004 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C)CC1 1301497059 MXGMWFCCYUJFID-INIZCTEOSA-N 445.593 2.167 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1301515198 RBYVELQMVLQWJD-GOSISDBHSA-N 441.532 2.166 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCOCC(F)F)cc1 1302988909 DFGYPSBRISWWNZ-QGZVFWFLSA-N 430.459 2.300 30 10 IEEE C[C@@H]1N(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1305245384 SWGLQRDCDLCYSI-JXPGLKHUSA-N 444.536 2.050 30 10 IEEE CN(CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1 1306892234 CIQURVZYMGHCJH-UHFFFAOYSA-N 425.441 2.159 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c(C)nn2cccnc12 1309855549 NTLPUAGRZFSWQK-UHFFFAOYSA-N 433.534 2.061 30 10 IEEE C=CCn1cc(CNC(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)nn1 1312062826 HZZALSPKJWFGBA-UHFFFAOYSA-N 442.501 2.054 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)n1 1313030776 WQHCTKLUMVGGLA-RBUKOAKNSA-N 433.553 2.462 30 10 IEEE CSCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316459283 WKIWLNASUYGIJW-UHFFFAOYSA-N 441.561 2.192 30 10 IEEE C#CCN(C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1320033189 SGDOIPPSGXLSLR-ICSRJNTNSA-N 426.542 2.141 30 10 IEEE Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(N)=O)C=C1)=C(/S)NC1CCN(C)CC1 1322709927 DMHFDDGASROJQD-UHFFFAOYSA-O 442.565 2.186 30 10 IEEE CCN(C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)ccn1 1328524343 LBXXSMWLAFHJOZ-XXBNENTESA-N 447.539 2.438 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1344050302 NGIKBRCKBMUBSS-MOPGFXCFSA-N 428.558 2.368 30 10 IEEE C[C@@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1349939390 ADJQUVTXNAGHCO-LBPRGKRZSA-N 435.424 2.137 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)COCCc1ccc(Br)cc1 1354438150 HPGXHVOGZKFBHA-UHFFFAOYSA-N 434.294 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1358871137 AGMALHSRRFZUAD-JKSUJKDBSA-N 448.568 2.134 30 10 IEEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358925462 FYQLRDOZWIKXSY-GOSISDBHSA-N 438.557 2.425 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1359306278 ARJTZVNJLBBXAJ-QGZVFWFLSA-N 448.568 2.173 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)N(C)C)C1 1359315339 SKKZMAKNSOCTGN-QGZVFWFLSA-N 445.545 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)CC[C@@H]1C 1359326463 ATBHTOILIMPEEG-HOTGVXAUSA-N 425.599 2.422 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(NC(N)=O)cc2)CCOC1 1359466668 FSDGPRBCAFNOHZ-AOMKIAJQSA-N 441.536 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)CC1 1446737155 VDCTVRRMZPNHGM-FQEVSTJZSA-N 429.492 2.476 30 10 IEEE C#CCN1CCC(C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)CC1 1452327579 NMZMCMYQOLWLJT-FQEVSTJZSA-N 428.529 2.292 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 1463889533 WDJXKHGSQAVCCL-UHFFFAOYSA-N 432.523 2.276 30 10 IEEE C=CCc1cc(CNC(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)cc(OC)c1OC 1464558694 QVWZZIYPIQZGSO-UHFFFAOYSA-N 434.514 2.357 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OC)[C@@H]3CCC[C@H](OC)C3)ccc2c1=O 1469740057 BZTMLQAFQKFFCA-XUWXXGDYSA-N 445.541 2.348 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 1469884477 WLVLGRMOOUKXAJ-CQSZACIVSA-N 439.419 2.009 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1478654781 FROQOTCPCRMLRJ-AEFFLSMTSA-N 429.908 2.061 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1)OC 1504580373 GTLDPEKZKOTRBY-FQEVSTJZSA-N 448.531 2.349 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507622777 LSLZSHFWRTUZEF-FUHWJXTLSA-N 444.557 2.238 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1coc(-c2cccs2)n1 1507702172 GNUGPJYMXHJVGL-UHFFFAOYSA-N 440.529 2.365 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCSC1 1507710436 GLEWUNOMPBOFFE-GOSISDBHSA-N 441.605 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCOC[C@@H]2CCCO2)CC1 1507742524 KXJGNBLZBZMGQV-FQEVSTJZSA-N 445.608 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@]2(C)OCCc3sccc32)CC1 1507742612 MJBOLYHRAOKZKS-QFIPXVFZSA-N 427.574 2.356 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507960320 RKGJLAVTRWRGHP-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508155130 JDGCMWVYUWEWNY-UHFFFAOYSA-N 438.561 2.154 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1515364289 AUUYGYKKWAEGTI-KRWDZBQOSA-N 438.550 2.140 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)COC1 1517079324 AUPPTWLJAJCUAU-UHFFFAOYSA-N 426.521 2.116 30 10 IEEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)Cc2ccc(Br)cc2C#N)n1 1519829397 HKHQLBHEEKWVGZ-UHFFFAOYSA-N 439.335 2.442 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)n1 1520238842 IYSCHZDRAZSYJJ-IBGZPJMESA-N 447.333 2.131 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1521128586 FASKGUXMZYQXHE-FUHWJXTLSA-N 449.964 2.076 30 10 IEEE C#CCOc1ccc(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 1521873695 WJMFCZMLTUPNMI-UHFFFAOYSA-N 427.254 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOC2=O)cc1 1539038879 VVZNERAXATXKTF-KPFFTGBYSA-N 439.516 2.465 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1539094754 UYWJGCHJXRRFOT-HZPDHXFCSA-N 449.581 2.192 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1539226227 VUGUJKYXDNAQOP-IRXDYDNUSA-N 442.532 2.062 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1539260830 VKNAYXPXJMBJCZ-MJGOQNOKSA-N 435.528 2.198 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)C(C)C 1539284928 VECJVLNPFQDBKZ-KDURUIRLSA-N 428.581 2.462 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539513551 KVJUGEQJRNLIPA-UHFFFAOYSA-N 425.624 2.210 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539801437 AMOFQFLHVUJDOE-MOPGFXCFSA-N 444.967 2.273 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540916068 SEQNMTJOMRSYJC-ROUUACIJSA-N 435.594 2.267 30 10 IEEE Cc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCSCCCO 1543309161 RAPVLDIERVAGEZ-UHFFFAOYSA-N 437.573 2.449 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 1546315796 LINQXKMSVIOFQN-KMKOMSMNSA-N 425.460 2.109 30 10 IEEE Cn1cccc1-c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCS(C)(=O)=O 1554350072 HHXXIJDZUICBAB-MOPGFXCFSA-N 438.557 2.462 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC2(O)CCOCC2)c1 1554783243 BOKOMNYAXRSQTE-INIZCTEOSA-N 429.521 2.490 30 10 IEEE COCCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555469100 ZKPKWYSDYKTIEZ-QGZVFWFLSA-N 433.520 2.143 30 10 IEEE COCCOCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1555718825 UKQMFJGCKOXWLH-OAQYLSRUSA-N 440.548 2.381 30 10 IEEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C#N)CC2)C1 1555808595 COYDUZXASFRFHR-QGZVFWFLSA-N 446.552 2.029 30 10 IEEE C#CCn1cc(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cn1 1556465429 HJQWPJYPBOAKTE-IBGZPJMESA-N 440.500 2.159 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1558632556 GOALJEARDFQTRP-HXOBKFHXSA-N 446.523 2.402 30 10 IEEE C=CC[C@H](C(=O)OC)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1559668043 NSKCGLXYIODNDY-GFCCVEGCSA-N 437.381 2.325 30 10 IEEE CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)s1 1561470919 FGLIZCMTMYFONO-UHFFFAOYSA-N 435.346 2.264 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CCOCC1 1561937903 BAGHWPCUIKLACO-UHFFFAOYSA-N 432.464 2.149 30 10 IEEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cc(F)c(Br)cc1F 1565091924 CFYWZMUVDIDKQA-XQJJYNOISA-N 448.289 2.368 30 10 IEEE CCN(C)C(=O)[C@H]1CSCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1584479692 SHMQBZINSIDVOX-MRXNPFEDSA-N 437.363 2.137 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1587569046 UZCYTVPLFRVTME-XDHUDOTRSA-N 437.544 2.111 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588083237 CQOQARYBNFPZDO-NHCUHLMSSA-N 439.585 2.317 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588124824 SNXCLGLYGAKWSE-IBGZPJMESA-N 441.543 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1cccc(C(=O)N(C)C)c1 1588214259 OAFCGTCOCPJHIJ-UHFFFAOYSA-N 427.512 2.143 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2nccs2)CC1 1588929559 CUOUDBJTAWQERY-SJLPKXTDSA-N 442.589 2.398 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2=CCCOC2)CC1 1588954294 DFPCPIQTBODPID-UHFFFAOYSA-N 425.558 2.243 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1589052993 BZWLJXCYBXMDFZ-INIZCTEOSA-N 445.593 2.325 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(=O)(=O)CC 1589171770 RYLBJLBMHISBSD-HXUWFJFHSA-N 446.533 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOCC1 1595760748 RVWUAGRWXMEVLC-GOSISDBHSA-N 434.562 2.472 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)N1CCOCC1 1596788941 DSUINNZBMDTAEA-IRXDYDNUSA-N 444.511 2.402 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1596814428 WKDURWZABOJNJL-KBPBESRZSA-N 443.458 2.212 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 1597256113 PXOODRKAARBWNN-LBPRGKRZSA-N 428.536 2.140 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCc2ccccc21 1611676823 DMBOVGIVBUERLE-YJBOKZPZSA-N 428.562 2.358 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CC2(S(C)(=O)=O)CC2)cs1 1612397153 APDSHLPLFDXSQM-UHFFFAOYSA-N 434.591 2.341 30 10 IEEE CCO[C@]1(c2nnc(N(CC)Cc3cnn(C)c3)n2Cc2ccc(C#N)o2)CCOC1 1616168635 DJUYLRUTFSNRDJ-OAQYLSRUSA-N 425.493 2.203 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cc(C)cc(C)c2)CCOC1 1616261618 HWQFKANCYVDDBM-NFBKMPQASA-N 441.532 2.355 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)cc1OC 1616350151 GJOHXIFTAYDYKN-JOCHJYFZSA-N 442.495 2.321 30 10 IEEE Cc1cc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc(C)c1C#N 1625807720 JUSDJUVIXAEXAU-QGZVFWFLSA-N 435.546 2.329 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3ccc(F)c(C#N)c3)CS(=O)(=O)[C@@H]2C1 1627830529 SNFPFHQFIRNFLK-FRFSOERESA-N 437.493 2.306 30 10 IEEE CCOC(=O)[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H](O)c1ccncc1 1631259605 ZFMHGDHOIKPHAR-NHCUHLMSSA-N 440.475 2.090 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1632077510 CCWJWFABOOKLIF-LSDHHAIUSA-N 425.298 2.331 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1632328944 YESMWRCFXDGZLK-UHFFFAOYSA-N 428.489 2.124 30 10 IEEE Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 1632838491 BOAOGKDXVWNXCX-SFHVURJKSA-N 431.338 2.477 30 10 IEEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCN1CC(C)(C)O 1634203943 AMTSXMNPZLIBHI-ZRSCRABMSA-N 434.581 2.077 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@](CO)(C(F)(F)F)C1 1634206594 RBJSETHKIQGIBT-KSSFIOAISA-N 447.479 2.057 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)[C@H](C#N)C1 1635213892 OUXRIJBQLHSRBN-YYIAUSFCSA-N 434.537 2.461 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1637990400 RKYDSSPTMBVQPJ-AZUAARDMSA-N 429.314 2.350 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)s1 1638674558 DZANQSXQQARGNZ-UHFFFAOYSA-N 448.975 2.451 30 10 IEEE Cc1nn(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c2ncc([N+](=O)[O-])cc12 1640949680 FWFMUUMDIVBGKP-LJQANCHMSA-N 437.435 2.196 30 10 IEEE Cc1ccc(C(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)NCC#N 1642740091 XEEBBKFJPDXXBE-INIZCTEOSA-N 441.431 2.279 30 10 IEEE COC(=O)[C@@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1643877846 JWCJBQBCIGCFAB-HSZRJFAPSA-N 442.491 2.366 30 10 IEEE C#CCN1CCC[C@H](NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 1645274601 RPJCTYWAVIHGDF-KRWDZBQOSA-N 447.582 2.166 30 10 IEEE N#Cc1cc(N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)ncc1Br 1650885587 PEXHBWQMOOFNBK-ZDUSSCGKSA-N 427.258 2.217 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)C1 1651801945 NXTIUTHIHHLFNT-GOSISDBHSA-N 431.492 2.319 30 10 IEEE Cn1c(NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(C#N)c(=O)n(C)c1=O 1652128696 LNZMTFRXHKPJMB-CQSZACIVSA-N 425.489 2.297 30 10 IEEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1670821181 CVZBZNVRICKHFN-UHFFFAOYSA-N 444.561 2.299 30 10 IEEE CN(C)CCOCCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1680250282 ZOFYLYJRTOXGKN-NXEZZACHSA-N 427.336 2.377 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCOCC2)C1 1689916284 FUIIUJMAFGWZOV-UHFFFAOYSA-N 444.557 2.148 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)NCC#C)CC1 1689938425 LCSLPSDCKUHMCH-UHFFFAOYSA-N 435.528 2.245 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1689964316 KVBMJORERTZTNI-SFHVURJKSA-N 447.580 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1690122434 QTKYJSWSPUKPEA-UHFFFAOYSA-N 443.555 2.154 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCN(C)C1 1690561178 GNWWEJYVHZANAK-RUZDIDTESA-N 443.555 2.395 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690667045 OOYWSGNVACTWJF-SFHVURJKSA-N 447.543 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1690668282 YXQSUAQYDICNQI-UHFFFAOYSA-N 436.516 2.198 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1690675719 CKBSFAHFFZCPIO-UHFFFAOYSA-N 447.902 2.322 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1693837873 IXQXELVVHZZKLW-FUHWJXTLSA-N 445.955 2.223 30 10 IEEE COCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C)(C#N)CC2)cn1 1698073316 GVYASILFSRZVSB-OALUTQOASA-N 443.552 2.023 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1705566376 NGFXIYCMXOPOPN-IEBWSBKVSA-N 449.621 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CN(C)C1=O 1705575744 VTNIASUPOWPITH-FQEVSTJZSA-N 444.308 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)Cc1cccc(F)c1 1705597158 XSABADZWZHWKJF-NRFANRHFSA-N 437.519 2.481 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705739210 YJUCTXRWJOKJHX-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1705806103 XCBBKSPOEZKPIY-GOSISDBHSA-N 436.582 2.097 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)c2)C1 1705914363 MPMRQSGPAMKIRK-SFHVURJKSA-N 436.520 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1705935130 HZPZSCSLPZHIAF-FQEVSTJZSA-N 438.981 2.279 30 10 IEEE CC(C)(C)Cc1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706144556 TXBRRQMBPALQHC-VHEBQXMUSA-N 428.537 2.010 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1706959147 PIOBYDMZBFZXHY-OXQOHEQNSA-N 435.431 2.081 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1709459472 BSWIWTKSDXZNQY-APWZRJJASA-N 426.521 2.235 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1710965036 BLYXNDRENHJDMT-IBGZPJMESA-N 442.589 2.393 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1722294823 HZUYCNUXRCWRQH-WBVHZDCISA-N 425.514 2.341 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1722303996 SSPHELGELXHPBX-FQEVSTJZSA-N 449.603 2.460 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2ccccn2)CC1 1722441688 OHENAJSZKRYNSQ-UHFFFAOYSA-N 432.528 2.259 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1722447963 RUDNKQBGQQVMEH-WXVUKLJWSA-N 427.593 2.384 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1724490637 HBUXGKURNFENSA-SFHVURJKSA-N 443.577 2.060 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1729526804 PWLYCCVWQIXLQF-IBGZPJMESA-N 430.578 2.028 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1740661384 AIPPBEZUEIVLAF-INIZCTEOSA-N 443.577 2.096 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1Cc2ccccc2O1 1740680110 RNSVUCOOSJUXRB-GBXCKJPGSA-N 440.544 2.408 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CSCCS2)CC1 1740696848 IDUADFRUOUHKMM-LJQANCHMSA-N 443.642 2.481 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1740823671 KODIFTUVXIDTBC-IBGZPJMESA-N 443.573 2.391 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740962539 HAJTVCFKGIGIOQ-FQEVSTJZSA-N 441.580 2.032 30 10 IEEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1741005942 VUHZLARSSILMNY-IBGZPJMESA-N 445.589 2.344 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1741134470 BLYHBLVDPJJYNT-HNNXBMFYSA-N 435.525 2.417 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C[S@](C)=O)cc1 1744644623 CMGFFFPBBLBPHA-HKBQPEDESA-N 436.541 2.302 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1745894016 FJCIHMZWZNODGK-QHCPKHFHSA-N 438.532 2.214 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOC2CCCCCC2)CCOC1 1746732924 CKCZTBCEOKMSPU-UGKGYDQZSA-N 433.553 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@@H]1OC 1748847194 PFGBOXIVMLTYGS-RTWAWAEBSA-N 433.560 2.340 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)N2CCCCC2)C1 1749718320 UZTZDUUMPZQJKB-WOJBJXKFSA-N 430.597 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1749735793 XLBJWCVMYMJXPC-OAQYLSRUSA-N 436.553 2.314 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1750030789 QSINRQSGRXHPMO-FQEVSTJZSA-N 432.532 2.460 30 10 IEEE COCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1750100846 LHEXCTBJCGOTBJ-INIZCTEOSA-N 436.310 2.099 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCOCC2)CC1 1760254601 CEBPEMBXGUCQDD-SFHVURJKSA-N 428.968 2.074 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760296019 XSTYOCLUOFWXMZ-JTDSTZFVSA-N 427.471 2.037 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760306344 FTKXJEJCFASBSV-ZNMIVQPWSA-N 445.383 2.094 30 10 IEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1760309011 YXSKICYEVUHYOM-LLVKDONJSA-N 426.265 2.367 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760356262 JPRXOCSJCSRGAA-CQSZACIVSA-N 443.533 2.169 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760361755 ROUUWJMIYZQMOQ-MRXNPFEDSA-N 438.525 2.212 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)c2ccccc2)CC1 1760389844 VMXYCZXGGKJPRX-HXUWFJFHSA-N 443.573 2.481 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc([C@@H](C)O)cc2)CC1 1760396572 FYOXQBHJJVWVHG-HZPDHXFCSA-N 433.578 2.392 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760527507 YYDDQNPVLIDIQB-UHFFFAOYSA-N 443.621 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(C)nn(C)c2C)C1 1760535140 LXPUCOFYNRKQCG-SFHVURJKSA-N 429.569 2.376 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)C1 1760542553 MRVZMJLPEFFCAG-QZTJIDSGSA-N 438.594 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760553693 YMODTWTWDOHANX-OXQOHEQNSA-N 441.557 2.421 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1760565675 CEMOPYVATHROEG-UHFFFAOYSA-N 427.582 2.160 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1761362195 APVREKRGIKDHDD-NWDGAFQWSA-N 425.502 2.214 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCNC(=O)c1cc[nH]n1 1764864273 NTJYRHNBJJNBHK-IBGZPJMESA-N 432.532 2.324 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1765497029 FQZHMKQBDBHSEX-FXAWDEMLSA-N 443.983 2.353 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1766311368 FPYURQTUFIBKFU-UGKGYDQZSA-N 428.512 2.158 30 10 IEEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)C(F)(F)F 1768060660 NYZUIIPEPGVNGY-CPUCHLNUSA-N 449.499 2.278 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCOCCCO)cc1 1771532135 QBVAUUSDSSWAKM-HXUWFJFHSA-N 425.533 2.347 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 1848858542 WJGCZLXBMDCODT-KRWDZBQOSA-N 444.495 2.095 30 10 IEEE CCc1c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)nnn1-c1ccc2c(c1)OCCO2 1850562167 LXUGKZFNSIBRQB-UHFFFAOYSA-N 444.495 2.435 30 10 IEEE CN1C[C@@H](CO[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)CC1=O 1851325666 PVPXPDGFPGIIPN-PKOBYXMFSA-N 428.510 2.274 30 10 IEEE C=CCN(C(=O)CCC(=O)N1CCN(C)CC1)c1cc(C(F)(F)F)nc(SC)n1 1853358765 GEEVRCMMCVECLO-UHFFFAOYSA-N 431.484 2.291 30 10 IEEE CON(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(CC#N)ccc1Cl 1854817651 GNZIZOPRDQRIRR-UHFFFAOYSA-N 433.873 2.317 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC(C)C)s2)c(=O)cc1C(=O)O 1857890169 LCONSFJIUUYNDM-UHFFFAOYSA-N 435.458 2.080 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861506712 ZNYFRXFKRBGISG-HXUWFJFHSA-N 435.480 2.040 30 10 IEEE CCCCCCCCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861600099 NYRRJIHCAORAHP-QGZVFWFLSA-N 431.533 2.419 30 10 IEEE C[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccccc1C#N 1866623449 UAOWFGHEMOWRFZ-OAHLLOKOSA-N 426.498 2.245 30 10 IEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866869013 XQBHVXHOAGWLKR-MOPGFXCFSA-N 442.541 2.149 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874289406 CKFSBQCMYLBCTL-UFFVCSGVSA-N 442.457 2.234 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3cccc(C)c3)ncnc21 1875230319 UEBZJGCLQCFDDD-UHFFFAOYSA-N 434.544 2.288 30 10 IEEE C=CCN(CCC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1984872138 RCFKIHXIXKQLNI-CQSZACIVSA-N 429.514 2.284 30 10 IEEE C=C[C@]1(CO)COCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2022246808 ONUJDVASRGSNAS-LTMIRXACSA-N 434.533 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060640668 XLROSFHPWMJVTL-CQSZACIVSA-N 434.302 2.334 30 10 IEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224129470 GQVMDGCDIRLBTQ-BBRMVZONSA-N 436.314 2.214 30 10 IEEE C=C(CS(=O)(=O)NC1CC(F)(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962340 NKMVMODWLOMNKB-UHFFFAOYSA-N 448.366 2.489 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2249674098 CBDLVHWTAXFISJ-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE CC(C)(C#CC(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2249680670 QPYCPEFNSDPRMZ-JOCHJYFZSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254751365 KLUTZNKELBHCMP-ZFWWWQNUSA-N 438.305 2.438 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255601264 FRFAJIPNDSVQNV-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE CCCC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255629511 WWLJVUUMPWFVHL-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE CCn1cc(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255649654 KZSZVBMVFIJEAX-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2255866255 PEDNUGWQSYLLBE-IRXDYDNUSA-N 437.390 2.480 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256717958 MLCPMKHLYXFYEH-AOMKIAJQSA-N 434.342 2.154 30 10 IEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258958999 KSZGDKBFTRSTTR-IRXDYDNUSA-N 436.358 2.400 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267268088 POSPUBSYCWUFAQ-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267497106 IVYSNIJIOUORKS-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCC1 2267875674 IGSHAQSBKXPLJV-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2282183703 JNYSISAPZLTSQZ-WOJBJXKFSA-N 448.376 2.370 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1OC 2297060194 IDCSARZPTDJXQC-HXUWFJFHSA-N 425.485 2.472 30 10 IEEE C[C@@H](CNC(=O)C#C[C@@H](C)NC(=O)OC(C)(C)C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2302413874 AMDKFCCJLHRMOC-WJONJSRFSA-N 439.553 2.027 30 10 IEEE COC[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2317546039 QZHNVQQRODNDKC-AWEZNQCLSA-N 438.330 2.308 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)C=Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 2328155907 IUIKWRRXYZQMEE-NQERJWCQSA-N 449.482 2.187 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2C[C@]12C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2331228871 CTIBMHJRRJCSCR-QOAZOABKSA-N 444.341 2.408 30 10 IEEE C=CCC1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCNCC1 2364282308 WTNZWCONTONGSM-UHFFFAOYSA-N 433.574 2.461 30 10 IEEE C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1=O 14952875 AHRCVELAKILXOO-UHFFFAOYSA-N 448.523 2.368 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2C1=O 18046444 CWPZIWKDXYRRCW-NRFANRHFSA-N 437.471 2.411 30 10 IEEE COc1ccccc1N1C(=NC(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@H]21 254351296 UPFYHTYAMDTRLR-SJLPKXTDSA-N 432.523 2.376 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@]2(CCO[C@H](C)C2)O1 430281204 YZRAKQCSFPUMIA-KFELQJHASA-N 444.551 2.193 30 10 IEEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 482507095 IATYNPTWSBRAJB-XLIONFOSSA-N 429.542 2.331 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 485729731 BKHWLZOXZBHDTP-MRFFXTKBSA-N 448.495 2.065 30 10 IEEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 536973032 FZTMNLPPIQKBJQ-OXJNMPFZSA-N 448.479 2.354 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)n1 541103523 QAFCDUWMKQBLOO-BEFAXECRSA-N 449.920 2.255 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)C1=O 561999581 NICPRYYZGXINMI-ROUUACIJSA-N 447.557 2.284 30 10 IEEE CSC[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 570359994 JYKMRAGPBDMOQO-HSALFYBXSA-N 443.569 2.440 30 10 IEEE CC(C)=NN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 583925990 AMDGMAYGWHHINA-VIFPVBQESA-N 443.330 2.265 30 10 IEEE COc1ccc(OC)c(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)c1 586341741 VGGINXIWQRPSCJ-SSEXGKCCSA-N 447.538 2.452 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 612597809 NDIXWUTYRMARFA-UHFFFAOYSA-N 443.525 2.281 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 737199503 VJAMTJUHMJKRKZ-HNNXBMFYSA-N 431.468 2.310 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ncc(C(F)(F)F)cc1Cl 741339153 BXFPTYRMCAAKRY-JQIJEIRASA-N 446.769 2.152 30 10 IEEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)cc1C#N 746860335 WDPKVTZWCFPPHS-OAHLLOKOSA-N 430.530 2.256 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1-c1ccc(F)cc1 752194256 MTFSFLGMUDAXNH-UHFFFAOYSA-N 442.541 2.086 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2N=Cc2ccc(O)cn2)c1 755512549 OXSHXTWRIQWVJU-UHFFFAOYSA-N 432.531 2.247 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)cc1 761310828 ZKEWNRMIPOJTCL-UHFFFAOYSA-N 425.260 2.376 30 10 IEEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)s1 769877867 MFPLKABAQIBABV-UHFFFAOYSA-N 434.546 2.384 30 10 IEEE Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)n1 780254364 JHVMOHWKRZOQHC-KKSFZXQISA-N 443.481 2.257 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCSc1ccc([N+](=O)[O-])cc1 784933902 DUBCTHJTOYQHIH-ZDUSSCGKSA-N 435.483 2.469 30 10 IEEE CCN(C)c1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)cn1 789967184 DFDZSIZVBKXWHG-MRXNPFEDSA-N 426.550 2.158 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)C1 790486057 GAPIUWGJDMQWTP-VKJFTORMSA-N 438.475 2.174 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCN1C(=O)OC(C)(C)C 790784079 KRVWBJSXWDDLLR-MBSDFSHPSA-N 434.581 2.097 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 795401630 QJLBKOHBPADICY-UHFFFAOYSA-N 444.507 2.267 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)c1 804891629 DZBVEYRSIPSPHG-MRXNPFEDSA-N 427.555 2.384 30 10 IEEE COc1ccc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)c([N+](=O)[O-])c1 807978095 JXIFDHOXYWWLRV-UHFFFAOYSA-N 429.252 2.459 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856536043 QIJMTIMHEJKVMS-LEWJYISDSA-N 435.528 2.182 30 10 IEEE CCCCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1083899320 MQFSWBKOVUZCCO-UHFFFAOYSA-N 425.540 2.161 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)c1 1084277156 CAENZNXMTMVFTM-UHFFFAOYSA-N 430.494 2.041 30 10 IEEE C=CCC(F)(F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1124204295 YZLWIBHBDJVLOF-UHFFFAOYSA-N 429.489 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3ccc(OCC#N)cc3)CS(=O)(=O)[C@@H]2C1 1135413860 YKDGLKBPIHMPNJ-ZTFGCOKTSA-N 449.529 2.198 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Br)cc2C(N)=O)c1 1136889200 YUVWJXOXQYACHR-UHFFFAOYSA-N 440.250 2.237 30 10 IEEE COCCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1141801423 VRBDMSMDQWQTRT-UHFFFAOYSA-N 431.514 2.128 30 10 IEEE C=CCn1cc2ccc(NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2n1 1156690360 LTPSJQRVVJQOML-UHFFFAOYSA-N 429.458 2.438 30 10 IEEE C#Cc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)cc1 1161360872 VXYPPPKVBAUYNO-UHFFFAOYSA-N 435.505 2.480 30 10 IEEE CC(C)CN(C(=O)CN1Cc2cccc(C#N)c2C1)c1c(O)nc(=O)n(CC(C)C)c1N 1171677618 IUKGENSJTZMVSH-UHFFFAOYSA-N 438.532 2.064 30 10 IEEE CCS(=O)(=O)NC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 1198477951 DPSQEHXDQDIHEG-UHFFFAOYSA-N 435.594 2.434 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)OC 1260306512 LDCKERLKHGKJTF-JTQLQIEISA-N 425.098 2.055 30 10 IEEE C=CCN(C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)[C@@H](Cc1ccccc1)C(=O)OCC 1269213884 ADQUCXIBNZENKV-XLIONFOSSA-N 437.558 2.158 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286394109 NGXUJOGZOVOWSW-IKGGRYGDSA-N 440.635 2.186 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCSC2)CC1 1286472556 JLPKZPNIUYRXDP-OFNKIYASSA-N 425.602 2.443 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn(CCCC)nc2C)CC1 1286637935 PRXPLBHFRDEDJG-KRWDZBQOSA-N 435.598 2.398 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286712433 YZMOFDQPHRCVCI-GOSISDBHSA-N 438.594 2.312 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286830615 USKGBRSOCFBVAK-UHFFFAOYSA-N 444.605 2.278 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1286962559 BSWJYFPLASHYBW-MRXNPFEDSA-N 442.545 2.150 30 10 IEEE CCS(=O)(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1 1297767728 CMMFEKOBZJBXMK-UHFFFAOYSA-N 430.578 2.133 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1298133056 KRFHHQXKSVSJCY-BWTSREIZSA-N 429.546 2.113 30 10 IEEE C[C@@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1300206828 RLGYXSWCQHCMEP-HSZRJFAPSA-N 440.569 2.286 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300272914 CJZJZBRHPXJCJM-CPUCHLNUSA-N 428.468 2.003 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1300348840 ROLVYXWKJYDBPE-UHFFFAOYSA-N 426.521 2.227 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300491226 FHZZHFSFCREJQW-NSHGMRRFSA-N 433.622 2.150 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300500729 CNPWRMOLNQCDCS-NQIIRXRSSA-N 448.614 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](C)N1CCCCC1 1300521364 VXYKLIXGQFGCBL-HXUWFJFHSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1Cc1ccc(C(N)=O)nc1 1300548871 RFXSCDMLSGBIGJ-UHFFFAOYSA-N 428.496 2.035 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nccc(C(F)F)n1 1300559442 PUBZJGFPDASERQ-OAQYLSRUSA-N 430.459 2.169 30 10 IEEE C=C1CN(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)C1 1300667425 ZNOMSBNXBOKTES-UHFFFAOYSA-N 448.545 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(N(C)C)c2)CC1 1300719545 GIQGSQUORGVSNX-UHFFFAOYSA-N 443.555 2.420 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301473409 AXZSESHLQJGNNU-QHCPKHFHSA-N 425.533 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301568385 FZCYMXNNMNZUIN-UHFFFAOYSA-N 438.623 2.089 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1301612977 SKPMXGBUQYQSPO-QZTJIDSGSA-N 440.635 2.352 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1301969534 YMRQGCFUKPKHML-ZACQAIPSSA-N 444.502 2.421 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 1302603348 SEIYNBRSKSDZGU-YTQUADARSA-N 433.574 2.463 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)s1 1303394245 FBGCFSONPAWBBX-YPMHNXCESA-N 426.482 2.371 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN1CC=CCC1 1303419598 OGXBZTOMSKMRKL-RTWAWAEBSA-N 433.560 2.422 30 10 IEEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)n1 1304894155 HOYIYIDFWMQCDJ-UHFFFAOYSA-N 434.504 2.233 30 10 IEEE CCCNC(=O)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1313500020 KHDAFFLGPKQVBU-OAGGEKHMSA-N 433.557 2.171 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(OC)CCCC1 1314393257 CKEQIKOHGIMRHJ-UHFFFAOYSA-N 425.537 2.367 30 10 IEEE CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1314637877 HSTVUIIXHVCSNV-HXUWFJFHSA-N 446.559 2.488 30 10 IEEE COCCOCc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1316254370 YYXHHKOIEOXCQB-JOCHJYFZSA-N 448.527 2.204 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(I)c(F)c1 1352234551 HFSOFOWRHFRMKC-UHFFFAOYSA-N 441.204 2.114 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2c(Br)cnn2C)cc1 1355491880 CVZPMOGHIMIDRZ-UHFFFAOYSA-N 427.324 2.170 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1358876444 JUXOGBBDSMCAHB-IRXDYDNUSA-N 431.562 2.080 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358893330 SBNGIKUAHPDWFR-MOPGFXCFSA-N 431.544 2.390 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1358900659 PZHSWBXDZGOARK-ZACQAIPSSA-N 446.552 2.349 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCCN2CCOCC2)c1 1358903270 QIYPYUBZVKIZBO-UHFFFAOYSA-N 438.576 2.255 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1358927472 ZZUOYWNSJZDZME-UHFFFAOYSA-N 448.531 2.119 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358966386 NTUASVDZLBNFFD-FQEVSTJZSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC(=O)N1 1358990395 MMIMCDSFPKPMTB-OAHLLOKOSA-N 426.318 2.449 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1359113664 NOGSNEWEZQAJEJ-MRXNPFEDSA-N 444.561 2.338 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1359129711 KRJJYKBMFSPEEQ-MRXNPFEDSA-N 429.521 2.257 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359132279 SCHRVWWTKQNYBQ-NHCUHLMSSA-N 432.613 2.329 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359213090 JAMCMWQTSARIHO-UHFFFAOYSA-N 425.581 2.384 30 10 IEEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1359267993 ZGHFJOQSXLYTGL-RXVVDRJESA-N 438.594 2.464 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccccc2O[C@H](C)C1 1359291294 LDXOEKSJBKDUMY-MRXNPFEDSA-N 440.548 2.286 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359305256 XMYIPDBTJGPWDA-MRXNPFEDSA-N 439.495 2.026 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN2CCCO)C1 1359318912 OTSUFRHYHJADLT-VQTJNVASSA-N 426.565 2.277 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1360150051 ODXFZLRVDRZYCR-LSDHQDQOSA-N 435.532 2.002 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1360789080 QUHNWTWCYUCZHK-UHFFFAOYSA-N 441.561 2.496 30 10 IEEE N#Cc1cccc(C2(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)CCOCC2)c1 1437804279 VWUZALXRVKRNAS-UHFFFAOYSA-N 429.498 2.371 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)c1C#N 1457569293 KJFNNDZWMLZQRK-MBSDFSHPSA-N 436.516 2.421 30 10 IEEE C#C[C@H](NC(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N)C(C)(C)C 1460803089 SNKINGCQABACKJ-INIZCTEOSA-N 447.580 2.265 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)CC2)c(F)c1 1471199030 DQCISJFLNKWVKE-UHFFFAOYSA-N 427.436 2.048 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1Br 1475351092 CBIJDAHKPYUVOP-HZPDHXFCSA-N 429.336 2.309 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3=O)C2=O)cc1 1478420345 SUPUEMAGNZKNSY-PMACEKPBSA-N 435.459 2.297 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1500347104 ZFMJWVBZNASLIS-KRWDZBQOSA-N 446.577 2.389 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1cccc(C)c1 1505059228 NEVAHGOHQCTIGE-IHPCNDPISA-N 440.548 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N(C)C)CCOCC1 1507662372 IQOAMVFRIFHTIT-UHFFFAOYSA-N 436.516 2.427 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1C[C@@H]1C 1507704099 OVRHFKVOBATUOL-RDJZCZTQSA-N 430.578 2.289 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2C(F)(F)F)CC1 1507723733 SGWBSZFSCOAOFK-KRWDZBQOSA-N 432.450 2.052 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507806479 IINBUZMGKXCFGV-GOSISDBHSA-N 441.580 2.487 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1507914627 NDRILYNJISPYLD-UZLBHIALSA-N 425.599 2.498 30 10 IEEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507944690 VXXXTJHEYRKHQC-LJQANCHMSA-N 436.560 2.356 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1C 1508094445 XZDLRHXQOYMWIS-ULQDDVLXSA-N 448.568 2.123 30 10 IEEE Cc1ccccc1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1511346449 DSPDIBPEXMGPOC-UZLBHIALSA-N 433.509 2.010 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1513096444 QSSGZIHHWRWKCL-ZBPHCFQXSA-N 443.573 2.085 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1516069017 QMKVWAOUEFCSLV-HZPDHXFCSA-N 428.493 2.400 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](OC)[C@@H](C)CC 1516592766 RTTRQPTVHZRLIQ-HKUYNNGSSA-N 427.553 2.469 30 10 IEEE COC(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1517738952 OXXVGFLDHFAQEX-XHSDSOJGSA-N 434.541 2.203 30 10 IEEE CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1518575476 GCZPYXOFTJTLEI-IEBWSBKVSA-N 429.546 2.113 30 10 IEEE CN(CCNC(=O)c1cccc(C#N)c1Br)S(=O)(=O)c1cccs1 1519125338 CPCKXGRNZDABMF-UHFFFAOYSA-N 428.333 2.433 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)c(F)c3)CC2)cc1 1528593878 DNAQWZNQAJEIOK-UHFFFAOYSA-N 426.473 2.286 30 10 IEEE N#Cc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)ccc1Br 1529520382 ICRBTJRHGIHATC-UHFFFAOYSA-N 425.264 2.346 30 10 IEEE N#CCOc1ccccc1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1532581532 GGYDMFXEVLELMU-WBVHZDCISA-N 425.407 2.277 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1536694480 LCHVAJZSRZFUDQ-CYBMUJFWSA-N 438.257 2.117 30 10 IEEE C#CCN(C(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 1537469273 NCBZNCJGKSJAPU-CQSZACIVSA-N 435.908 2.416 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1539120763 ZUQBVTGLGJVQIN-KRWDZBQOSA-N 432.546 2.247 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN(C(=O)OC(C)(C)C)C1CC1 1539174317 BWSBMCDPLDPLFC-UHFFFAOYSA-N 442.520 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1540889764 TUOUUZQBBRISFV-KRWDZBQOSA-N 442.545 2.011 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(CC(F)F)C2)c1 1541081161 VADGMLHMGWRLGR-KMEDIVRHSA-N 428.505 2.415 30 10 IEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C 1541413443 ICSICWKSQULZDR-VQTJNVASSA-N 444.605 2.416 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2c2cnn(C)c2)n1 1543006120 GOCBLRXOJJPART-PKOBYXMFSA-N 436.568 2.281 30 10 IEEE CC[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1545638526 ODVCDRBWHRQXPH-WGLILOHCSA-N 440.552 2.148 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 1557384493 PQHZWBVFNJVFRA-XZOQPEGZSA-N 428.492 2.486 30 10 IEEE C#C[C@H](NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)c1ccc(Br)cc1 1569673489 IXMJCYRMYDQXHD-HNNXBMFYSA-N 426.274 2.439 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1583525743 DBFBCXXYQCPGNV-UHFFFAOYSA-N 434.562 2.080 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)c3ccc(C#N)cn3)c2)nn1 1587295469 PYLLYCWNRJYLOM-UHFFFAOYSA-N 433.472 2.489 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2=CCCOC2)c1 1587689494 ITYNQNGGJGJDBC-UHFFFAOYSA-N 429.484 2.138 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587883797 MQISRRIVAVATQC-RTBURBONSA-N 426.517 2.248 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](OC)c2ccccc2)CC1 1588969079 VHSDFIYXVQANGR-RTWAWAEBSA-N 437.544 2.483 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1589366387 COWYVKUWVJEMPM-UHFFFAOYSA-N 428.356 2.206 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1594798006 LRPCBSNUSWRBFA-APWZRJJASA-N 441.532 2.270 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1595141783 LCPCPBQTVAYMSB-NHCUHLMSSA-N 434.562 2.336 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)C1 1595714127 KJFHIVVFYXISST-JKSUJKDBSA-N 448.474 2.098 30 10 IEEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1602774668 XWFLXFRLOOGKKV-UHFFFAOYSA-N 434.552 2.062 30 10 IEEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1612159138 KGTDTPLGVWIMBZ-WBVHZDCISA-N 441.561 2.463 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)Cc1ccccc1 1614028513 GMWVFFJMMBRTQG-IBGZPJMESA-N 445.575 2.349 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)CC1 1615578108 OLENRSSUQSMOJT-GOTSBHOMSA-N 440.588 2.275 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cccc(C)c2)CCOC1 1616141783 GWKPQACNAUWPRF-JPYJTQIMSA-N 440.548 2.265 30 10 IEEE COc1ccc(Br)cc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1619150565 AQXQJAVEJDFMMU-CZUORRHYSA-N 448.321 2.330 30 10 IEEE CS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1620246832 HZBXUCWZFWRBBR-SFHVURJKSA-N 449.602 2.495 30 10 IEEE N#C[C@]12CN(CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1620635513 QBRPBBVTZGDQBA-VLCRHTCISA-N 443.956 2.416 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1623330453 CIURSHMXKHSZFA-HXUWFJFHSA-N 428.533 2.479 30 10 IEEE CC(C)c1ncc2c(n1)CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1630141074 XNNUVGXCGGOWHS-IBGZPJMESA-N 432.484 2.262 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)OC)s1 1630391231 FGBMMTWMQSXZMY-HNNXBMFYSA-N 449.554 2.448 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1631964864 URCAOEUXRQRJJO-WMZHIEFXSA-N 443.548 2.131 30 10 IEEE CC[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCc1cccs1 1634918206 BROIECDCDFUHOO-OALUTQOASA-N 439.541 2.115 30 10 IEEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 1635151948 ZPILWCXQUXFGAG-UHFFFAOYSA-N 443.363 2.433 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)c2ccc(N3CCOCC3)cc2)cc1 1647926580 OLFLKMSSVJXOAT-UHFFFAOYSA-N 427.526 2.101 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC[C@H]2CCCN(CC#N)C2)C1 1650833792 INHAEOBPSASLNE-QTEQDKRBSA-N 428.533 2.154 30 10 IEEE C=C1CCC(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1665111181 IBWDEWNPYMKLMF-QGZVFWFLSA-N 441.575 2.020 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)NC[C@H](O)COc2ccc(I)cc2)C1 1673819845 OPOMOEOLJCXOKT-YUTCNCBUSA-N 429.258 2.022 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1N1CCOCC1 1690097469 HZNLSBCPGUQJAB-UHFFFAOYSA-N 436.516 2.212 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCc1nccc(C(F)(F)F)n1 1690099940 REHYFZWTWANPCZ-UHFFFAOYSA-N 433.438 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C)n2)CC1 1690145876 ACAHMFPAHRJTPW-FQEVSTJZSA-N 436.560 2.084 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690155017 CPTWFUCUHQRHBS-UHFFFAOYSA-N 432.638 2.339 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OC)C1 1690302988 QXPVLHLJNNETKX-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCN(C)C1 1690556193 PBBCSENBPMHLRQ-CVDCTZTESA-N 427.549 2.050 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1690671358 ULINGEJGQMJYPS-RTBURBONSA-N 425.533 2.477 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCOCC2)C1 1690733552 HVMWYTGQBKZZJE-UHFFFAOYSA-N 444.561 2.230 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCCn1cnnn1 1690996130 VOXYQHNHTKSMLM-CYBMUJFWSA-N 430.314 2.380 30 10 IEEE CCC1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1694898218 HDMKTKCLGCCLHM-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)C[C@H]1C 1695804725 FXVVCFHWJWKPNT-MOPGFXCFSA-N 425.581 2.314 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705525554 MVPGZRZQKRBRHA-ZDUSSCGKSA-N 426.340 2.072 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705538780 ZZUWAWHXNPBXKN-GOSISDBHSA-N 437.552 2.128 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCc1nnc(C)s1 1705596137 UGEGJOFIMBORBX-UHFFFAOYSA-N 437.529 2.261 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1705639866 YGKYVZODPYVYTH-IFMALSPDSA-N 440.567 2.369 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705649087 JYBDMHPLNBWSQW-IBGZPJMESA-N 435.532 2.135 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1705736731 AZLXPXDXUKFNBJ-HXUWFJFHSA-N 430.574 2.378 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCOCC2)CC1 1705776698 NDPJKZLMICECIZ-HSZRJFAPSA-N 433.597 2.443 30 10 IEEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893402 HGHKPFYOWPBGBK-XMSQKQJNSA-N 432.569 2.087 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705947704 VAEQNDCHTNFVJI-IBGZPJMESA-N 442.589 2.011 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2([S@](C)=O)CC2)CCOC1 1706669837 VOSGXYFSEFVRCQ-JRPXNJEYSA-N 435.594 2.360 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C#N)o1 1706752380 GYXPMWCORJHJBY-NSHDSACASA-N 446.309 2.259 30 10 IEEE CC1(C)CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1706955430 RGHYCOXSRGKGGF-VHEBQXMUSA-N 442.545 2.072 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1710324320 JVPSNLDTNDWSFV-XMSQKQJNSA-N 426.496 2.412 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 1710416008 GOLDMCHJLKQECP-WOIUINJBSA-N 434.585 2.025 30 10 IEEE CNS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1711420256 DRRGZUJCXKDPPE-HXUWFJFHSA-N 427.534 2.106 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1712167178 GHBQXSQGNDISTN-SFHVURJKSA-N 440.458 2.057 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)CC1 1712886119 IYQCLHKHBRYANZ-GOSISDBHSA-N 439.520 2.251 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722322860 PSKPTFQBRNPMNM-NZQKXSOJSA-N 442.564 2.224 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 1722370859 RBQYKIVFRGTRMQ-LJQANCHMSA-N 442.585 2.482 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=C)Br 1722378666 GOKZOBUOPFVWTC-UHFFFAOYSA-N 447.362 2.220 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1noc2c1CCCC2 1722419599 AXVPAWMWTWTTPG-HSZRJFAPSA-N 443.548 2.320 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)c2ccccn2)CC1 1722431181 NDDLIJGWSRQWIZ-LJQANCHMSA-N 426.565 2.130 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N2CCOCC2)CC1 1722575944 COEFBOPIVLRIDO-UHFFFAOYSA-N 441.532 2.224 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1722658229 BJNUJQOHJGQPLI-LJQANCHMSA-N 431.562 2.358 30 10 IEEE CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1723720033 XMJIUKXHOQQVQK-PMACEKPBSA-N 438.532 2.494 30 10 IEEE CC[C@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1726842112 QATZDBFMKSCEFA-KSSFIOAISA-N 441.536 2.012 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1728187059 SYQLDNSIIVJGHB-INIZCTEOSA-N 439.520 2.010 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(n1)CCCC2 1730758932 FRMOZTNSJZQQSO-UHFFFAOYSA-N 437.548 2.203 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)CN(C)C1=O 1730761681 DNXAHZYFBICNCQ-NRFANRHFSA-N 446.939 2.452 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740605247 SKZJCJOUYHKXCJ-PMACEKPBSA-N 432.507 2.232 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(CCN(C)C)CC1 1740635635 XONIWNYLAVBUHG-UHFFFAOYSA-N 448.571 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC=CCO1 1740643233 JITQRAARBYUZIU-DEOSSOPVSA-N 444.583 2.061 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 1740763838 QNMBTXKGRQIEPW-RXVVDRJESA-N 430.597 2.302 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1)C1CC1 1740910377 NIMWMDNENGJSHJ-KRWDZBQOSA-N 429.546 2.342 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1740979836 LPBOMXNIRZNXMQ-JKSUJKDBSA-N 448.568 2.314 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1741133342 PUIFWQXWJLZVBM-RRFJBIMHSA-N 448.618 2.406 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)cc1 1742283316 GUYWDGAXTTXXGC-HXUWFJFHSA-N 438.532 2.201 30 10 IEEE Cn1cnnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 1748043678 BYPYBOMHJSIVNF-KRWDZBQOSA-N 449.263 2.465 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1748940348 IFHKMLAZPTYNAY-MRUHUIDDSA-N 435.594 2.376 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1749050139 WZCQEQZJDQNDFC-GUDVDZBRSA-N 433.622 2.084 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749355807 KBEJZXRKKRULPX-LPHOPBHVSA-N 428.512 2.494 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCc2oncc2C1 1749735804 AEFSQIDKRFSYAB-UHFFFAOYSA-N 443.529 2.029 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749761029 UFRYNYYNIQHCNS-QGZVFWFLSA-N 428.562 2.033 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1749978465 DREUWIYWZGMMJJ-UYAOXDASSA-N 449.559 2.084 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1750079184 QJFCHILISAOPHA-LPHOPBHVSA-N 435.507 2.343 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)c1cccc(C)c1 1750113356 NLFZUZVEDXNYHF-HOJAQTOUSA-N 440.548 2.479 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1750379228 CQWCIKGIGPBPFW-QVKFZJNVSA-N 425.443 2.198 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](F)C1 1750966115 CNDCMRCYUXSCAR-AEFFLSMTSA-N 440.527 2.148 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1752582232 CAXVKPSQBPDTBH-HNAYVOBHSA-N 426.569 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@H]1CCCO1 1760102714 PDDHOOSHSNVPET-PKOBYXMFSA-N 446.573 2.392 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O 1760133742 OCRMNSYJDDMSLL-UHFFFAOYSA-N 432.546 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1760219335 BIQLREYUJQHQSY-RBUKOAKNSA-N 438.553 2.209 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760246741 BBRHJYKULBTKPW-IBGZPJMESA-N 430.574 2.418 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCOCC1 1760253666 UBQMSYMXRIQVEN-UHFFFAOYSA-N 434.924 2.138 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1760287643 ZYBNPNUBRMRXHV-JOCHJYFZSA-N 443.573 2.001 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760357150 FNRWMWZJCPTAEH-NRFANRHFSA-N 446.640 2.370 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760371582 DXZHYLGYJCSKJR-OAHLLOKOSA-N 425.942 2.123 30 10 IEEE C=CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1760475128 UZVCIJCGSPMSAH-UHFFFAOYSA-N 438.557 2.375 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@@H]1C 1760482878 UXLDOEWXPCMZSV-FQEVSTJZSA-N 438.576 2.314 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NC(C)C)CC1 1760526015 AGBCYXBJKGYBSJ-UHFFFAOYSA-N 426.565 2.435 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1761997455 BEFTVQKBMFFYIY-UKRRQHHQSA-N 436.358 2.495 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1764553169 HDZQGDABSPFGLF-VQTJNVASSA-N 441.532 2.344 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1765699680 ZWMFZECWVZRVLI-UHFFFAOYSA-N 444.561 2.211 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(C#N)o1 1766233929 MIOXIUTVVDDNJV-UHFFFAOYSA-N 429.502 2.367 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1767415569 FISHECQPCQZHIZ-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C2(CCOCC2)C1 1772787352 GIEKMXMOSDMDPY-MRXNPFEDSA-N 430.457 2.405 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC(C)(C)[C@@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772793353 NEDMOLUODOGJFD-DMZKTXOQSA-N 430.457 2.403 30 10 IEEE CN1C(=O)CC[C@H]1CO[C@H](COc1ccc(C#N)cc1)CS(=O)(=O)c1ccccc1 1851327348 UEDYQGLNVYCXCM-AZUAARDMSA-N 428.510 2.417 30 10 IEEE COc1cc(Cl)c(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1OC 1851575536 QANSKUVDRJNXJO-UHFFFAOYSA-N 440.891 2.500 30 10 IEEE CN1CC[C@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)C1 1852536190 AKALDGKAYAXPHB-ICSRJNTNSA-N 428.510 2.274 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)c1C#N 1852805790 UBYMMDFNOUTTJG-OAHLLOKOSA-N 437.426 2.241 30 10 IEEE CCN(CC)C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1858452634 GLJSIMPEKLNTIS-UHFFFAOYSA-N 442.545 2.338 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862431743 NNZBFVLAINXNJM-SFHVURJKSA-N 430.844 2.466 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569432 MQHRSLDKPDUYTG-FQEVSTJZSA-N 442.468 2.255 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)c1 1862606330 OVGJNNAAEPVUIZ-XCLFUZPHSA-N 425.437 2.426 30 10 IEEE COc1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866784 KQQLHZRCXCDNCC-MOPGFXCFSA-N 442.541 2.149 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OC 1870157187 PNCVMHJSOVLUJY-UHFFFAOYSA-N 437.416 2.383 30 10 IEEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCc2ccccc2)sc2c1CCC2 1872649555 DLQLPWXNGWQJTR-UHFFFAOYSA-N 437.481 2.368 30 10 IEEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1OC 1874279629 DMDARLBAGBVTET-OOXYOOLHSA-N 447.561 2.376 30 10 IEEE CCOc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)c1 1874431572 VMUPEXZHCNUHOT-WSDLNYQXSA-N 432.550 2.156 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)CC1 1889387141 PDIYREHXVWFBBS-UHFFFAOYSA-N 426.536 2.348 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)O1 1908271087 TULUVOZFXUHQTM-HSALFYBXSA-N 428.533 2.295 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1992857950 GCERVPDFEYBPNH-ARFHVFGLSA-N 427.542 2.190 30 10 IEEE C#CCN(C)CCCNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009817220 MFVZZYOUDRLUOP-DEOSSOPVSA-N 428.577 2.227 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2011680132 GFNPWWZMTHXBNI-OAHLLOKOSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068910781 FWKDSFDYILGLHR-NVXWUHKLSA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532002 HVRSNTFGYOKDTM-SMASLZHESA-N 444.341 2.408 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2216484158 NANWBHNCMKYSFN-NRFANRHFSA-N 439.553 2.478 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255632752 QWXICKBCJMOGKP-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255696773 YSSIIEQALKZEKV-GDBMZVCRSA-N 433.358 2.310 30 10 IEEE Cc1cnc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256403044 YKJCKKWPIRGYDY-KTKRTIGZSA-N 431.342 2.500 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256666396 SIVBGOBZEKMZBT-CABCVRRESA-N 440.321 2.143 30 10 IEEE Cn1c(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)cnc1CNC(=O)OC(C)(C)C 2258958075 SWKJWFNJIPETLC-UHFFFAOYSA-N 432.330 2.200 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999221 LLALCITYMKEIIG-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267183137 LLBVYSQKIFBMIQ-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267269929 ILOPEBXUTOYWMK-BHYGNILZSA-N 445.369 2.310 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267512898 RIEQIXOARBZTTL-HALDLXJZSA-N 448.373 2.330 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 2267524442 QCEKUVGMZXRHRP-FXAWDEMLSA-N 438.381 2.453 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879442 HLCXNAUCCUZHFQ-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)=NO2)C1 2271470024 BEMYECIWSVHBSO-QFIPXVFZSA-N 447.341 2.283 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2282518392 XGRMLVWIKFGRCN-VQTJNVASSA-N 448.376 2.370 30 10 IEEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2287709419 HUSCDKOIVOABFG-JOCHJYFZSA-N 434.558 2.433 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCCC(=O)O)C(=O)[C@@]12C 2297591211 GRSFRYUXQZOMIM-QFIPXVFZSA-N 429.425 2.023 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2298376653 HHVLJQVWYMVGSJ-BZUAXINKSA-N 442.387 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2300340853 VMSYUKXDTHKYII-UONOGXRCSA-N 435.355 2.276 30 10 IEEE COc1nc(N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787184 WWENPVASGJHKAC-OCCSQVGLSA-N 443.275 2.283 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)Cn3cnc4sc(C(=O)O)c(C)c4c3=O)cc21 19978031 HGCDJEWADCHYFA-UHFFFAOYSA-N 439.449 2.259 30 10 IEEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]1 59309852 JLUNJLAVZJQFQM-AWQFTUOYSA-N 442.505 2.103 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)[nH]n2)c1 96350925 ZMFCHPYRBXEAQW-UHFFFAOYSA-N 445.479 2.405 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccc(F)c2)/C1=C(/O)c1ccncc1 103113976 ZWTSGWGUBRXJQX-LCPUNJGISA-N 425.460 2.365 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)cc1 432673519 WDVYKCQGOCIPRX-QGZVFWFLSA-N 443.591 2.314 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)C2)n(C)n1 483462720 WRHRLIVGNZXHCG-WBVHZDCISA-N 430.534 2.205 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 486068630 BAELVLOLEINDDN-CQSZACIVSA-N 441.345 2.149 30 10 IEEE N#Cc1ncn(CCNC(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)n1 491123915 PVMKAAFHCVTJNR-YLJYHZDGSA-N 436.447 2.039 30 10 IEEE N#CCOc1ccccc1C1=NO[C@@H]2[C@H]3C[C@@H]([C@H]12)[C@H]1C(=O)N(Cc2cccnc2)C(=O)[C@H]31 504708481 ZJVAWWXWSPYHTM-GBLMIXTLSA-N 428.448 2.154 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508872599 KEFVMXVVOIKHPC-FQEVSTJZSA-N 438.576 2.219 30 10 IEEE CN(CCN1CCN(Cc2ccccc2)CC1)CCS(=O)(=O)c1cccc(C#N)c1 511856279 WDIKPDRMDUMYIV-UHFFFAOYSA-N 426.586 2.082 30 10 IEEE N#CC1(CS(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1 515256735 KISPQIJJICGYEL-UHFFFAOYSA-N 425.576 2.091 30 10 IEEE Cn1c(=O)nc(O)c2nc(CCC(=O)NCc3ccc(-c4ccccc4C#N)cc3)[nH]c21 536888399 BGKXJKLPQOBDPF-UHFFFAOYSA-N 428.452 2.150 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 549680769 IRJMHXZMFPIKHO-SFHVURJKSA-N 449.621 2.422 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 549705390 CGPSQYTVZJNBGK-SFHVURJKSA-N 427.553 2.491 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 561103528 ZGZDNCWIIZREEQ-DBXWQHBBSA-N 436.516 2.055 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3nccc4sccc34)CC2)CC1 573997307 GVNGMEVZBHDCFT-LJQANCHMSA-N 426.590 2.111 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C 583400931 SUSKACCELQNDJD-JOCHJYFZSA-N 433.641 2.271 30 10 IEEE N#Cc1ccccc1NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 598541433 DOJFKHLZNFIMKB-UHFFFAOYSA-N 438.465 2.085 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)CC1 604188545 AANNTZVEANPODU-HSZRJFAPSA-N 446.555 2.292 30 10 IEEE Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 609494230 XCCZQWPJTWWOPG-QGZVFWFLSA-N 435.484 2.299 30 10 IEEE C#Cc1cccc(N(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)c1 728536630 RYRAZJGBMRQSGJ-FQEVSTJZSA-N 428.510 2.360 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C#N)cc1F 729845821 JQHXKPOJHOLRMX-GOSISDBHSA-N 428.489 2.467 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)c2ccc(C#N)nc2)ccc1C 734601433 FOHYTNBRUWJXAL-HNNXBMFYSA-N 444.513 2.476 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCCSC)c2=O)cn1 735068227 FOXPKTRXSKGVBY-UHFFFAOYSA-N 432.615 2.388 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C3CCN(C)CC3)cc2)cc1C#N 747494567 ATHCZOXGGOLSLN-UHFFFAOYSA-N 435.528 2.352 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 755693541 ZUBAPBFAIXLOSN-XUKXGFMLSA-N 446.507 2.477 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)C1=O 764530536 LSASLDXCDUWDJL-LLVKDONJSA-N 445.400 2.271 30 10 IEEE COc1ccc(N2CCN(CCNC(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)cc1 764737899 HRGAUBGSCVOIQW-UHFFFAOYSA-N 446.515 2.091 30 10 IEEE C#CCN(C(=O)NCCc1cc(Cl)ccc1Br)[C@@H]1CCS(=O)(=O)C1 774251725 JSIQAWFZOOYPFD-CQSZACIVSA-N 433.755 2.477 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3ccc(C#N)c(OC)c3)CC2)cc1 793275035 XPMJMTHNLRYJHL-MDZDMXLPSA-N 434.496 2.097 30 10 IEEE C[C@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C(=O)NC1(C#N)CCCCC1 796410459 CTZFJQKFJQAINU-WDYCEAGBSA-N 443.548 2.383 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 800354152 CRRCXMPSFUSQOV-GOSISDBHSA-N 426.542 2.151 30 10 IEEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812748246 LTAUXZWIXJLJIK-RBUKOAKNSA-N 431.445 2.378 30 10 IEEE C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc(NS(C)(=O)=O)c1 813593347 QKRMBZSLHFDMCJ-RDTXWAMCSA-N 429.502 2.249 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 813736652 QMRPEAANTCFZMF-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N1CCN(c2ncccn2)CC1 914678822 VWYIKBUVURMPFU-FXAWDEMLSA-N 437.500 2.032 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1O 1084168320 BHFGAEKJXVRUSG-UHFFFAOYSA-N 449.443 2.161 30 10 IEEE COC(=O)CNC(=O)c1ccc(NC(=O)CCCOc2ccc(C#N)cc2OC)cc1 1124485524 GNQDQARIOQYJCJ-UHFFFAOYSA-N 425.441 2.267 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cs1)C(N)=O 1135982899 NYRNTQWGUBNXPF-RHSMWYFYSA-N 429.571 2.061 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 1141331796 WFTNSJRIGXVYOE-HNNXBMFYSA-N 445.520 2.400 30 10 IEEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H]1C(=O)OC(C)(C)C 1147785860 QQSXIFUJOICETD-HZPDHXFCSA-N 449.573 2.332 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 1164524403 YFRZQPUOKFQJAI-NRFANRHFSA-N 447.944 2.279 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(Br)cn3)CC2)c1 1167938313 YHPLJKDSVDJTGB-UHFFFAOYSA-N 442.317 2.296 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)n1ncc(C#N)c1N 1168599906 YHTZJEZFTZKXPG-LBPRGKRZSA-N 448.357 2.384 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CCCOC3=O)CC2)cc1 1198252552 XJDBLIXYINAXPT-UHFFFAOYSA-N 436.534 2.332 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1264834040 LQHKHXPKBZYRAZ-UHFFFAOYSA-N 446.550 2.205 30 10 IEEE CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1278295385 BNURCMXEGREUOA-QGZVFWFLSA-N 443.525 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)CC1 1279985228 PIISMRZBVMQSOI-HSZRJFAPSA-N 445.564 2.277 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCOC1 1286280162 UBCZFKLSPHYZOW-DJJJIMSYSA-N 435.322 2.326 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286286800 ALKOBMZPRPYPNZ-FXAWDEMLSA-N 426.540 2.485 30 10 IEEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1CCS(=O)(=O)CC1 1286334283 HXDWHRQCIKVYAK-UHFFFAOYSA-N 432.546 2.294 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286398237 HTYWEXZDAWKVMF-BZUAXINKSA-N 428.505 2.192 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N1CCOCC1 1286468671 FHKCGWHHYHGWEO-IBGZPJMESA-N 436.560 2.157 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccc2F)CC1 1286472451 YAIDXBJBGSSUAI-UHFFFAOYSA-N 438.551 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@H](C)C2)CC1 1286488880 WXGCUQPTTZSSOZ-JXQFQVJHSA-N 443.592 2.332 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1286505171 VXSUIZLNOJBTLK-FUHWJXTLSA-N 442.564 2.450 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@@](=O)CC)CC1 1286644664 FJCKLOHSRYOHKS-LJAQVGFWSA-N 436.607 2.163 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1286783741 KJEVERYTYCREDY-UHFFFAOYSA-N 441.532 2.378 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](SCC)C1 1286793784 LZZPJYPTSDRFGJ-LNLFQRSKSA-N 437.610 2.416 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N(C)C)C1 1286805799 UQFBCLFHNGBZHU-QGZVFWFLSA-N 429.521 2.222 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1286863138 WFAXIRZBKXIFCN-NFBKMPQASA-N 444.580 2.317 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1=O 1287759544 IHTBMLFJOJTGJQ-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1295511974 ORBADSWUCKKYKT-LJQANCHMSA-N 434.552 2.062 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1297769280 VWDFMHCXLSIMTL-MJGOQNOKSA-N 444.561 2.047 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300417035 PDMDXHCTOHTJCE-GOSISDBHSA-N 427.516 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCn2ccnc2C1 1300512579 YCYKYDGLGAKJFI-SFHVURJKSA-N 430.512 2.494 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C1CC1)N(C)C 1300602355 CKWOPOYMGAHOSI-GOSISDBHSA-N 443.621 2.346 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC12CCOCC2 1300652982 GSXGXKWNDVLGPP-CVDCTZTESA-N 432.565 2.221 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnc(C)s1 1300657753 RYWPAQVIYFIKRH-UHFFFAOYSA-N 445.570 2.248 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(C)COC2)CC1 1300709663 AQAUGDZMXRWYQK-UHFFFAOYSA-N 425.533 2.048 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300754494 AKTDBYPOYKOXPA-UHFFFAOYSA-N 438.536 2.271 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1300766212 WZTKMSUPPILTNJ-UHFFFAOYSA-N 447.992 2.184 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301197160 FQAQSYOFMCWTIO-UHFFFAOYSA-N 438.532 2.148 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1301569106 PTKWGFJIPMRBPG-UHFFFAOYSA-N 445.589 2.029 30 10 IEEE COCCOCCCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302209355 YNQASUYIOPZDTO-UHFFFAOYSA-N 449.515 2.318 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)C(=O)OCC 1302419525 NBKCEGPKQBUSPD-CQSZACIVSA-N 434.880 2.199 30 10 IEEE C=CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 1303788684 UBOVJNHKCPOCKA-UHFFFAOYSA-N 431.352 2.047 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1304598593 ZPIXVYMKYGJQMZ-UHFFFAOYSA-N 444.561 2.213 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(C#N)o1 1305121675 KMMKTEUYDSUAQX-HNNXBMFYSA-N 431.504 2.465 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1305535263 ZRKKJRKMTKYOFW-QUCCMNQESA-N 446.596 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)CCCC(=O)Nc1ccccc1C#N 1305780599 JXSTZYDGMOCJLM-UHFFFAOYSA-N 428.489 2.473 30 10 IEEE COCCN(CCC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312468229 CFFWPSPVSMDBDV-HOTGVXAUSA-N 440.541 2.135 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCOCC(F)F 1314895548 PJOXYNFYLODMMN-GFCCVEGCSA-N 445.268 2.057 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1C 1316296914 DIHIXEDZPIWNJO-BJLQDIEVSA-N 427.505 2.118 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cn3nc4n(c3=O)CCCC4)c2)c1 1354498415 CSHRKRVDCGMDGV-UHFFFAOYSA-N 430.464 2.206 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359035238 OXEBIDFASCRRLH-NFBKMPQASA-N 427.549 2.392 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CCS(C)(=O)=O 1359144251 CONWPKUUDMCWDS-UHFFFAOYSA-N 444.941 2.204 30 10 IEEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359220225 RWTCIYLKBSRYML-QGZVFWFLSA-N 426.521 2.436 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359290435 BETCOMYSDXDDDN-PMPSAXMXSA-N 432.525 2.471 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359326870 LPSROGODUXGEMO-MRXNPFEDSA-N 425.599 2.087 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1439744915 PUXLDNYFJLIVAP-RDPSFJRHSA-N 432.480 2.234 30 10 IEEE COc1c[nH]c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cc1=O 1441735804 JNJCRIRCUUKVCT-NMWGTECJSA-N 432.502 2.229 30 10 IEEE C#C[C@@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C 1450342326 NHWNMLWZQAQXTG-SFHVURJKSA-N 430.526 2.008 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN([S@](C)(=N)=O)CC2)n(-c2cccc(F)c2)c1C 1460742873 LUKFESXSGKQDOH-PMERELPUSA-N 432.525 2.253 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(OC)c(Br)cc1OC 1464032749 VFQNUWBQYQPPDJ-UHFFFAOYSA-N 448.335 2.432 30 10 IEEE O=C(NCC1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCC1)OCc1ccccc1 1464926635 QRUMLKZHRMVYLO-FMQUCBEESA-N 440.500 2.116 30 10 IEEE C#CCC1(O)CCN(C(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 1469718014 BEKAHUBSKSMMCN-KRWDZBQOSA-N 434.334 2.423 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OCC 1471117621 COXCGIYSTYCVSA-GFCCVEGCSA-N 442.843 2.174 30 10 IEEE CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1472182314 NWEPNLAGJSMPQS-HRDYMLBCSA-N 446.360 2.190 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)CC1 1479187577 UWLMKITXYKSXBL-UHFFFAOYSA-N 448.571 2.202 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCCN1CC 1503103179 GTZWBYQCOZTVBI-FQEVSTJZSA-N 438.580 2.282 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)C1 1503676919 CZMLEXZIOUDFMI-LJQANCHMSA-N 448.369 2.232 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)C 1507514286 PZTFUAAXUCGYGP-HNNXBMFYSA-N 430.940 2.092 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1507588373 LFJOPGUVEZZIED-KNQAVFIVSA-N 447.605 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1507648262 XUHHDVTZWDGDKC-YWZLYKJASA-N 429.318 2.320 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCN2C 1507673149 NGLWPDTVSVVSEP-UHFFFAOYSA-N 430.556 2.294 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCCn1cnnn1 1507693726 FWGMTZBCXPZYHQ-UHFFFAOYSA-N 445.325 2.156 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507750838 GAKWIKXZWMFCKG-ZACQAIPSSA-N 440.635 2.186 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1507803514 HCOMWICKPUCKTN-PGRDOPGGSA-N 425.533 2.137 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507905275 VXFIFDZBRYRSIM-LDSGZGKSSA-N 426.521 2.449 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1507916861 VFHMVYKSEDEJQI-CQSZACIVSA-N 433.525 2.059 30 10 IEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1508051919 MNTCAHIWVPTHJS-QGZVFWFLSA-N 426.521 2.485 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1508082426 SPUJGXGPEXYELQ-UHFFFAOYSA-N 438.488 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1508082720 WOAWHMQAMSZQME-NRFANRHFSA-N 431.544 2.353 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(N)=O)CC1 1508105869 UANHZKBEGQYCAC-LJQANCHMSA-N 425.533 2.487 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1508412237 ABIXSVJODXQANI-HRAATJIYSA-N 448.593 2.198 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)[C@H]1c1cccnc1 1520608643 MQYMIWMMEYQDGF-NXHRZFHOSA-N 429.274 2.123 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1525356503 IZXANOWDBNRPNF-LIRRHRJNSA-N 439.329 2.400 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCCC1 1539028509 BMAZHDCXKBXGEW-OAHLLOKOSA-N 449.602 2.085 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1539231447 VUXMUBUXMQZMQB-FQEVSTJZSA-N 439.541 2.035 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cnnn1C 1539307967 ZGQCNEKMOKGEQU-UHFFFAOYSA-N 433.516 2.381 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)cc2OC)CC1 1539444206 IZQWLJJPOHRLJN-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C=C(C)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539733533 CYPXFKGNOHWXJK-HSZRJFAPSA-N 433.597 2.443 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1539841874 CQLMLZTUKZHJIT-UHFFFAOYSA-N 426.546 2.428 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)C1 1540887092 PRBCDOFWUYVHKK-CYBMUJFWSA-N 444.845 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(F)F)CC1 1540900449 VXVVCILXXOLISF-UHFFFAOYSA-N 439.532 2.241 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1543118993 PEMMXLQQHXSINX-CTNGQTDRSA-N 435.446 2.259 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1544786366 LZVPUALFJAPBEU-UHFFFAOYSA-N 435.546 2.253 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1547097050 UPRHWDGHYURURI-JLUOLNIDSA-N 429.569 2.096 30 10 IEEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1548230998 OCOHVQIOTRSBJI-OXJNMPFZSA-N 439.557 2.219 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1)C(=O)OC 1556375187 CLBNYZXQURQGID-XDNAFOTISA-N 440.537 2.042 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1586879679 HKJLFBJXMWXAMA-CQSZACIVSA-N 436.228 2.079 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC2(C1)OCCO2 1587580159 NFHBJSGXICEIDP-IAGOWNOFSA-N 444.557 2.350 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1594813055 NJRHSRIPPADEDF-QZTJIDSGSA-N 426.583 2.168 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1)C1CC1 1595050742 NFTUCIZFNARTSF-UHFFFAOYSA-N 426.546 2.426 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1595442071 AYNJHBHSGQCVFD-KRWDZBQOSA-N 435.525 2.187 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1595705604 BWISHQGIHUIMOA-NHCUHLMSSA-N 439.608 2.395 30 10 IEEE CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1597814848 FJSQGTHUBMHLIH-IBGZPJMESA-N 438.532 2.011 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(COC(C)(C)C)on1 1611319299 DVEIYDBKYYAOGS-HNNXBMFYSA-N 429.525 2.490 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1612144520 KBOJOVNJJWWJCX-PMACEKPBSA-N 427.505 2.090 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3cn4c(n3)SCC4)C2)C1 1616919524 KTRURDDGNTUOTM-FAGJFJLWSA-N 431.562 2.434 30 10 IEEE CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1617613688 HSSQYYAALCTNSJ-LJQANCHMSA-N 430.516 2.154 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCCOC4=O)CC3)CC2=O)cc1Cl 1617909310 NIDIDNIFLQCCBS-HNNXBMFYSA-N 430.892 2.398 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1618436587 FRLYBVMXAFNAOD-NRFANRHFSA-N 433.530 2.011 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)c(OC)c1 1619191421 VBXAPQMXVITVFL-KKSFZXQISA-N 431.468 2.210 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCC(=O)Nc1ccc2nc(O)[nH]c2c1 1624200451 MCTLGYYBNNRSCW-UHFFFAOYSA-N 428.246 2.200 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2c[nH]c3cccc(C#N)c23)CC1 1624639646 SXABAQKACPYHOJ-UHFFFAOYSA-N 427.486 2.181 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 1629028074 PVNPMPQUAVVTEB-KGLIPLIRSA-N 428.411 2.056 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 1636475475 KFOWXLYOCSJXGH-UHFFFAOYSA-N 435.596 2.266 30 10 IEEE Cc1ccc(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1641853180 ZGGQQCNWYBTXMR-UHFFFAOYSA-N 438.337 2.052 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)on1 1642278694 PZXAYFNCRUQNBZ-UHFFFAOYSA-N 440.481 2.391 30 10 IEEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1OCCN(C)C 1642373023 BRRKFQAHRKIDCY-MRXNPFEDSA-N 430.530 2.113 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C#N)c2)cc1 1647797440 BFIAKZVGIBMPDZ-UHFFFAOYSA-N 436.287 2.440 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN([S@](C)(=N)=O)CC2)n(Cc2ccccc2)c1C 1648250297 LMRYVYFSADYDAP-PMERELPUSA-N 428.562 2.173 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1648941418 DKQISSGALDNVDR-QFIPXVFZSA-N 432.496 2.108 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1649537843 GHYGVUYCRFHWPG-JPYJTQIMSA-N 425.533 2.047 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2OCC)CC1 1650846089 JRVPDTIZQOWKPG-UHFFFAOYSA-N 443.525 2.103 30 10 IEEE C#CCN(C(=O)Cc1csc(-c2nc[nH]n2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973701 UFHYQUSOYGTTSR-UHFFFAOYSA-N 430.534 2.332 30 10 IEEE COc1ccc(CN2CCN(C(=O)CN3CCC(c4ccc(C#N)cn4)CC3)CC2)cc1 1655173115 VKCLVCOUKNGMBK-UHFFFAOYSA-N 433.556 2.486 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nnc2c(=O)n(C)ccn12 1662577318 NNYISXZFZQCHKS-UHFFFAOYSA-N 433.266 2.077 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)C1 1665214336 BPGKGLBVHQVPBM-KRWDZBQOSA-N 436.578 2.335 30 10 IEEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)[C@H](C)COC 1665214542 IBILSJHKALVMGC-MRXNPFEDSA-N 441.550 2.161 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H](O)COc3cccc(F)c3)CC2)c1 1682384455 FWXOOYNASPAKNW-NRFANRHFSA-N 426.492 2.401 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1683181088 HHEKFSRRSYTMHO-HKBQPEDESA-N 446.573 2.013 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 1685266913 LFZOKTGSQVUAIU-HOTGVXAUSA-N 426.330 2.136 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnccc1OC 1689847666 FHTKQXJHXVKFIJ-HNNXBMFYSA-N 429.484 2.102 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ccc(F)cc1 1690033034 OSKZGWCSAOKGMI-IRXDYDNUSA-N 431.537 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCN(C)C1 1690096561 VOJUKEBRAAMGJV-UZUQRXQVSA-N 443.617 2.284 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690319457 NNYHKSXKIHIACC-SFHVURJKSA-N 429.496 2.400 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1690611531 PLEHMLLBVSDSEQ-XLAORIBOSA-N 427.549 2.022 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690683877 YGVIQTBSTSGOFR-QZTJIDSGSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OC2CCCC2)CC1 1690722536 MVXZRNURKDNZIZ-UHFFFAOYSA-N 448.593 2.207 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1693551944 HUZINROSEQJXQL-OAHLLOKOSA-N 439.520 2.008 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(C)CN(C)C1=O 1694733434 DYAGFZDCVPHMOP-OAQYLSRUSA-N 427.940 2.170 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1695499009 GWLBMRDOQZUHPV-GAJHUEQPSA-N 438.532 2.069 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCN2CCOCC2)CCOC1 1696068933 JLXIMZKKWGJZOT-GOTSBHOMSA-N 446.596 2.173 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1696226388 CLELRBIPJUGMEP-LJQANCHMSA-N 437.548 2.435 30 10 IEEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1698307386 FRLFYTMKGXNZGE-PMACEKPBSA-N 443.573 2.157 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCCS(C)(=O)=O 1705525621 PCSBAQUJAGWCRO-UHFFFAOYSA-N 442.383 2.330 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705530126 JESTTZUNZARRBI-UHFFFAOYSA-N 431.544 2.292 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705566995 SCEYUSCRQIMLAW-GOSISDBHSA-N 444.557 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705575298 FXJOQWWOHTUSEL-OXJNMPFZSA-N 444.333 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705598839 RMMXPGWJHXEYQG-LEWJYISDSA-N 437.544 2.220 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ncccc2N(C)C)CC1 1705646032 OQTKKSIEOBFRKL-UHFFFAOYSA-N 443.555 2.420 30 10 IEEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1705722723 WVXZYFMLHPGOAS-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC[C@H](SC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909299 SOJWIDAWNAMLID-LAUBAEHRSA-N 437.610 2.343 30 10 IEEE C[C@@](O)(CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1706897575 BHIFVLNFHSSQAQ-YADHBBJMSA-N 426.496 2.254 30 10 IEEE CCc1nc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)no1 1708991480 CZFDMADFPGOTGS-ZDUSSCGKSA-N 429.431 2.064 30 10 IEEE CCc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709029691 ZNUNTLAJUQYQQB-VLZBMTSBSA-N 449.559 2.472 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1711289088 YVRNUVZAGIDJCC-IBGZPJMESA-N 440.548 2.221 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1711316222 BSVNXLCXAMYDCH-DEOSSOPVSA-N 449.559 2.182 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722359243 KAWGENJOQZJXEF-NVXWUHKLSA-N 428.514 2.353 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)n1 1722426783 BOIYAHKZDSNMIC-UYAOXDASSA-N 444.580 2.110 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](C)c2nc(-c3ccccc3)no2)CC1 1722442535 YWLMKXNEODKNDD-SFHVURJKSA-N 435.532 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)CC1 1722444914 ISQWTIWYIVNWKW-UHFFFAOYSA-N 446.555 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1722446184 AGOXHIQWUPDWQN-HJPURHCSSA-N 436.516 2.231 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2COc3ccccc3O2)C1 1722708711 BYJNBCYTADUNIA-IRXDYDNUSA-N 427.505 2.038 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722911627 UHVOLALIVALBRN-SUGGAOAUSA-N 428.537 2.107 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccn(Cc2ccccc2)n1 1723577530 NCTPPFIVSQUOHY-UHFFFAOYSA-N 432.532 2.449 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCOCC1 1723777175 AOYQQCYEYSXHDD-MRXNPFEDSA-N 445.593 2.119 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1726680500 QVISGFKDWNOAGB-DMIMOZFVSA-N 439.545 2.197 30 10 IEEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1729599843 BXZZXIUMEZQZNH-OALUTQOASA-N 448.637 2.431 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC[C@H]1C 1730407734 RQDRLMIATYIBHE-HCLVMJGWSA-N 441.532 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC1CC1 1740542863 CVLKROSSKGKCPX-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnnn1C 1740554452 ZOFOBWGRNDRVBP-OAHLLOKOSA-N 428.541 2.027 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC=CO2)c1 1740562636 MDQSYJMGOVKTFD-FQEVSTJZSA-N 431.500 2.428 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1740622985 MHCIOMGAGVJLBH-IBGZPJMESA-N 430.578 2.227 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)nn(-c2ccccc2)c1C 1740639017 PFUXSOLMUQMIJE-NRFANRHFSA-N 427.512 2.153 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OCC)c1ccccc1 1740639037 ROQUPNMLSCCDCJ-VQTJNVASSA-N 426.542 2.031 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(N(C)C)CCSC1 1740641764 FPLFHRQPLROJPU-QHCPKHFHSA-N 433.585 2.027 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)N(CC)CC)CC1 1740696471 VFZOVKBBBAUJIB-KNQAVFIVSA-N 438.576 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)CCOC)CC1 1740706350 SIGFXZUOHVOTHN-LJQANCHMSA-N 431.581 2.201 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1740716081 KXDHDGYLTBVPFS-UXHICEINSA-N 438.601 2.306 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1740749280 RFGJNLLLUSJJQX-UHFFFAOYSA-N 432.326 2.316 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1 1740765484 YKFUJQDUFZYFOR-HXUWFJFHSA-N 431.629 2.190 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1740791997 DQRXDRMHWRWRNI-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740793463 JQWJVOJOWXYOQM-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OCC)CC1 1740955781 GIASEBFMOWKKHP-UHFFFAOYSA-N 432.912 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(C)(OC)C1 1740993892 FRPRSTLHTFKYLC-UHFFFAOYSA-N 429.546 2.176 30 10 IEEE CN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747763633 JCHIXQXJPDBOOL-RMYFCYLKSA-N 428.518 2.006 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC(=O)N1 1748655861 HJZGEBYHOLIVDW-TZMCWYRMSA-N 432.322 2.453 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1748657678 HHVYRYGJVNTWDY-KRWDZBQOSA-N 441.532 2.059 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748775564 NSRSJGVVOFVNII-UHFFFAOYSA-N 431.500 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCOCC2)nc1 1748883158 UYZUVLIWBORCMX-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1748983951 DHHUSSHMHHNONY-GAJHUEQPSA-N 425.533 2.226 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCc2cccc(C(=O)NC)c2)CC1 1748993814 NHHUNJPQKVWDLB-UHFFFAOYSA-N 434.588 2.368 30 10 IEEE C#CCSCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1C(C)(C)C 1749049957 UDLSOICPBAHSNW-UHFFFAOYSA-N 446.665 2.467 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCSC1 1749482223 DIZLIOZKPGNRHE-HXUWFJFHSA-N 449.650 2.298 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1749670574 UEDHSSKLXXESQJ-MSOLQXFVSA-N 441.532 2.141 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1749728817 VEALEPNWBSDUAC-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1749739919 NHHIETHGWQBNRQ-YLJYHZDGSA-N 426.583 2.298 30 10 IEEE CS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1750204014 AWDWDKVWROGTNV-UHFFFAOYSA-N 436.541 2.349 30 10 IEEE CSc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)ccn1 1750270228 PCFSEWWULSPJHL-DYESRHJHSA-N 444.561 2.213 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCOCCCO)c1 1750378712 LDZFVVQEAJIFON-HXUWFJFHSA-N 425.533 2.347 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1750866414 UBPWGCRYBUZBSL-GOSISDBHSA-N 440.548 2.458 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC(C)(C)O1 1751299045 GMIVXBRCIKODHI-UHFFFAOYSA-N 447.561 2.167 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1760217681 JLBQKCAPSAVWHU-UHFFFAOYSA-N 425.558 2.377 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760281462 NBEITIHZKQWKGB-KRWDZBQOSA-N 442.545 2.383 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1760294845 HTWJWVNZKQCPOC-MGPUTAFESA-N 433.603 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1760295079 MYTPYRMXNDJCRB-IIBYNOLFSA-N 432.521 2.368 30 10 IEEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760376182 HVNZGKHHJVVVHK-MRXNPFEDSA-N 432.887 2.233 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1760408260 HIYJMZIUFIDSHW-MRXNPFEDSA-N 435.536 2.190 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1760514925 OPORWLLEFNUXOH-UHFFFAOYSA-N 425.537 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1760523481 ZTLSCTWQIGPPMF-UHFFFAOYSA-N 433.516 2.080 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCC)C1 1760544885 IYZCFDOVIWSGMY-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760562776 VOBXBCZWUPXGIH-IBGZPJMESA-N 427.622 2.476 30 10 IEEE CC(C)OCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761318825 MELZZLMXHKAGMU-LJQANCHMSA-N 425.493 2.455 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCCC1 1764891129 FKNHFIRVQPPJEY-UHFFFAOYSA-N 435.576 2.470 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1766159757 JGPGRZOUUYLMPH-PLISZXCSSA-N 447.580 2.379 30 10 IEEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1769319283 CHOCVEZVWIMSED-KRWDZBQOSA-N 438.532 2.304 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C 1769844690 BUSVPBMBSXZBNC-IBGZPJMESA-N 425.537 2.018 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)C1 1772887271 GTVPFYROQBFJJQ-OAHLLOKOSA-N 434.591 2.088 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 1852606056 BCYBLCZAOAYQTM-CQSZACIVSA-N 447.948 2.169 30 10 IEEE C[C@H]1C(=O)N(C(=O)CC(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)CC#N 1854694953 VAACXKOOOPQILP-KRWDZBQOSA-N 425.510 2.121 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 1861497977 FCNSWRNHHIIOGR-OAQYLSRUSA-N 437.540 2.449 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc1O 1862629636 AISBEBFZVDBUQL-IBGZPJMESA-N 427.409 2.090 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866582280 RRSIONQENSXJLT-UYAOXDASSA-N 425.510 2.049 30 10 IEEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872597267 NIAMKFPECGKQOB-IBGZPJMESA-N 428.470 2.268 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(N(C)C)cc1 1874337985 QDDHAZNYVAIJJT-CNPYVQQSSA-N 444.561 2.216 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1c[nH]c2ccccc12 1874431048 JBVFYQCOWVPHEV-FOKLQQMPSA-N 427.534 2.238 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)NCC#CCN(C)Cc3ccccc3)CC2=O)cc1OC 1890949369 IJXWJRATGJFPHG-FQEVSTJZSA-N 435.524 2.308 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C[C@@H](O)C1 2060639856 MUXBDWUKPWGTON-DOTOQJQBSA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060640174 QQFSCLAVBWHCDH-JEZSTIGHSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666031 SPHQSWWJGNPLAE-HOTGVXAUSA-N 447.341 2.249 30 10 IEEE C=C(CS(=O)(=O)NC[C@H](F)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247904769 QGBOJUNNJFSMJU-HNNXBMFYSA-N 448.366 2.298 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2248433437 LEWJLADASSPMIF-UHFFFAOYSA-N 439.343 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255535413 VEMPTJNEAGKJFT-OAHLLOKOSA-N 429.326 2.286 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2255648091 ILEPEOYVTHQZMI-SFHVURJKSA-N 426.322 2.210 30 10 IEEE CC(C)(O)CN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255950468 NZYUHHGEFOHKPX-UHFFFAOYSA-N 446.378 2.343 30 10 IEEE CO[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267106266 XLCOLWNNXAMDBU-QZTJIDSGSA-N 446.353 2.350 30 10 IEEE Cn1cc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267128259 PHZRAZJBFPYPFT-CABCVRRESA-N 448.373 2.141 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267135553 DPSYLVAZXMZCIS-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(Cc2ccccc2)CC1 2267159836 SOALCFXUMZZUFW-UHFFFAOYSA-N 438.381 2.422 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2267549682 OLYDLCRMOVUAPH-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267605878 QRZHKARLIJUWER-ICSRJNTNSA-N 434.349 2.122 30 10 IEEE COC1(CF)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282846899 QQISTRXFBYUSDY-UHFFFAOYSA-N 425.740 2.060 30 10 IEEE C=CCOc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329013368 CTSAVPMEXCQPNQ-INIZCTEOSA-N 442.545 2.027 30 10 IEEE COc1ccc(OC)c(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)c1 2329827105 FWFLQNNYXDFSLY-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE COc1cc(C=Nn2c(SC)nnc2[C@H]2CCCO2)ccc1OCCN1CCOCC1 2330884439 VGSUJABJGZBBNF-GOSISDBHSA-N 447.561 2.453 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2336900907 XERKYWWOFYHSKC-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](N)C#Cc2cccc(Br)c2)(S(C)(=O)=O)C1 2351703482 AVMCYEBGVDIMMB-HNNXBMFYSA-N 443.363 2.162 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCCC3)cc2C1=O 24474268 ADVBUYCTOPQLAB-CYBMUJFWSA-N 427.457 2.172 30 10 IEEE C=C[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 36402763 JGSKXHVNDZFORI-UTBFEAQVSA-N 432.488 2.195 30 10 IEEE biogenic,in-man CNC(=O)c1ccccc1C#CCNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)n[nH]1 96348755 LQLCKWTZWWDNRG-UHFFFAOYSA-N 448.479 2.244 30 10 IEEE C=CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C(O)=NC1=S 96540863 VGDNNWLSLHIDPC-SFQUDFHCSA-N 438.509 2.153 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)cc1OC 102715778 CMVBMKWWKNIIOC-LCPUNJGISA-N 425.485 2.472 30 10 IEEE COc1cccc(NC(=O)COS(=O)(=O)c2cc(N3CCCC3=O)ccc2OC)c1 244358041 XUMUNELDIXRWGY-UHFFFAOYSA-N 434.470 2.175 30 10 IEEE CN1CCC[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 410129948 KPEXGOOFPHYTSZ-NXHRZFHOSA-N 446.495 2.147 30 10 IEEE C=C(C)Cn1c(CC(C)C)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 460953157 RTWBNZJDKHZEEV-UHFFFAOYSA-N 432.594 2.287 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2C(=O)N(CC)CC)c(C#N)cn1CCOC 481404589 UNBJFQUJZUITMP-MRXNPFEDSA-N 433.509 2.048 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CN2CCCCCC2)C1 481437841 WEIHCZSGFCAESV-QUCCMNQESA-N 432.590 2.340 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2OC)cc1 486452598 BFSQJJRWGPQZON-HZPDHXFCSA-N 448.501 2.214 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H](O)CS(=O)(=O)c3cccs3)cc2)nc1 502109257 KUDRGOZEWPCDCF-MRXNPFEDSA-N 443.506 2.372 30 10 IEEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508669433 IGYVDRWMXVJIOJ-WOJBJXKFSA-N 436.516 2.187 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 509016020 XTLUIOGGOZGBEI-KRWDZBQOSA-N 437.591 2.243 30 10 IEEE CCCCC(=O)N1CSC[C@@H]1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 518299079 YPLFFNBGTLCWOB-DLBZAZTESA-N 432.571 2.490 30 10 IEEE C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 534145235 ZZFTVWXZTHJSPP-UHFFFAOYSA-N 448.526 2.374 30 10 IEEE COc1ccc(CSCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1[N+](=O)[O-] 546169167 FCOSMHYTSOGGDW-UHFFFAOYSA-N 427.486 2.452 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 549285445 JDKCOGMVSXRGCC-UHFFFAOYSA-N 449.563 2.174 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC(F)(F)c2ccccc2)CC1 569165199 KLEBYURBTOWUBS-UHFFFAOYSA-N 434.468 2.366 30 10 IEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 576371278 DDFYGMXLRFJRBL-QGZVFWFLSA-N 436.520 2.274 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](CC)C(=O)OCC(C)C)nc1C 586304628 QBDGSDHFGQWZQW-DBDZUICISA-N 430.548 2.459 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(C#N)cc2F)c(C)c1 611642957 BSAAKZLKOXQCAU-QUCCMNQESA-N 445.516 2.063 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)ccc1F 611645073 VTAYYIDLNMNIOE-KRWDZBQOSA-N 430.461 2.069 30 10 IEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619833209 NAQSAOSJMJFPRF-AVRDEDQJSA-N 433.560 2.382 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCOC1 676727930 ZTKLALWZVUAURO-HNNXBMFYSA-N 428.941 2.472 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)c1 737868627 SDNNVMMQWRYEBT-QZTJIDSGSA-N 441.553 2.460 30 10 IEEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 740203055 DISPSTRHVGGDSL-OAQYLSRUSA-N 438.461 2.447 30 10 IEEE CN(C)C(=O)C[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccc(Cl)cc21 746296556 GSDLJZJLQVZIDX-CEQVZJHGSA-N 430.892 2.165 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)NCCNc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 754872462 CVTQWDPKWYVYRL-AEFFLSMTSA-N 430.871 2.429 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](c2cccnc2)C2CC2)C1=O 758088937 HHZYXFOLMLEZJM-PKOBYXMFSA-N 437.525 2.399 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(COC)cc2)c1=O 758090377 QFTLPVQPUGVJDA-UHFFFAOYSA-N 444.512 2.084 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC=CC2)c1 759695682 ARGGKRZQKRLSQM-LJQANCHMSA-N 443.573 2.363 30 10 IEEE Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760408432 KEUXYIBWPILKMR-BOPFTXTBSA-N 432.481 2.039 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1(CCOCc2ccccc2)CC1 762196353 PKUGGWYSIMNCTI-UHFFFAOYSA-N 427.526 2.371 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)n1 789148556 ZMWGCMDTBQOKIC-SFTDATJTSA-N 431.487 2.398 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@](C)(O)Cn1ccccc1=O 790682750 MVQHQEXIADJXBK-YCRPNKLZSA-N 429.498 2.033 30 10 IEEE N#Cc1ccc(COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1F 791344073 AFHNXERVHZLVSQ-INIZCTEOSA-N 444.440 2.378 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 792276124 QWHAQPMADJUPQX-UHFFFAOYSA-N 441.498 2.480 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Oc2cccnc2C#N)c1 795285285 TURMGNHJWQEXIZ-UHFFFAOYSA-N 429.907 2.405 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCOC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 814617509 PHQLNCPAHAVBLL-UHFFFAOYSA-N 430.505 2.456 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](c2cnn(C)c2)C1 849584545 XTKWOOTZOUPRDG-ZRBLBEILSA-N 448.571 2.023 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(OC)c(OC)c3)cc2C1=O 916933155 OVHSNDPJRULVTO-KRWDZBQOSA-N 433.420 2.447 30 10 IEEE Cc1ccc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC2CCOCC2)c1 1115978937 IATQDXYXHJAPDK-UHFFFAOYSA-O 448.590 2.446 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1Br 1126293010 CSZAPDCUGBRHQQ-UHFFFAOYSA-N 443.301 2.147 30 10 IEEE N#Cc1c(NC(=O)c2ncc(Br)cc2Br)nc2n1CCOC2 1134817585 BJEHGSSMPUHXHN-UHFFFAOYSA-N 427.056 2.457 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1135762154 BPBOLXVZGXATBG-PMACEKPBSA-N 429.565 2.240 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1cc[nH]n1 1148422743 ZULOWACVTDNXQB-UHFFFAOYSA-N 430.461 2.216 30 10 IEEE C[C@H](CC(=O)NCc1ccc(C2(C)OCCO2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1170799650 NBKPMDDDXBWJKO-OAHLLOKOSA-N 443.525 2.040 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 1171799356 NVFZGUSMEBGUOA-GOSISDBHSA-N 440.462 2.444 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(I)s2)n1 1189896327 KORDTDIOAZQDIG-UHFFFAOYSA-N 435.312 2.393 30 10 IEEE C#C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccc(Br)cc1 1275465829 YZAQGERNPWQQJC-SJLPKXTDSA-N 443.276 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN(C)CCOC 1286275069 POJBQZJTZAGVFP-HNNXBMFYSA-N 437.386 2.472 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCS(=O)(=O)NC 1286283317 RFOMXBHSRGDMKC-INIZCTEOSA-N 443.529 2.124 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOC)c1 1286308250 GRXWZZIROZTWFB-HSZRJFAPSA-N 441.532 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)[C@H](C)CC 1286409149 PBALFRZERCQKBO-IEBWSBKVSA-N 442.589 2.372 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1ccnc1C 1286443023 VJCDZAXJXSDDCX-UHFFFAOYSA-N 430.516 2.340 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2COCCO2)CC1 1286472186 RCEQYNRXWXSKSW-NHCUHLMSSA-N 439.560 2.206 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCOc2ccc(OC)cc2)CC1 1286485227 GFEROPLFMAYMJO-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N(C)C)CC1 1286514751 OJRKLTFJHPOVJY-ICSRJNTNSA-N 449.621 2.063 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286710732 CBPSIZBRJXDMKF-HNNXBMFYSA-N 440.470 2.381 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1286788341 UXGFPWFHUWSKCG-SJORKVTESA-N 443.552 2.365 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286833150 WCVMZLIZUAGOED-SJORKVTESA-N 448.593 2.206 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1286913015 RNZQQXGSWTXPBB-KRWDZBQOSA-N 448.474 2.463 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1C[C@H]1c1ccccc1 1288804811 HJSZQJDFDCLSFU-MNEFBYGVSA-N 428.562 2.432 30 10 IEEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1cccc(C(C)C)c1 1289201841 RTSVTVWCHMPYNG-JTSKRJEESA-N 441.557 2.354 30 10 IEEE COc1ccc(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1300106501 DCBBEKGQHYQORY-XLIONFOSSA-N 438.532 2.017 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C(C)C 1300464360 BWYZMSLSIFBGCH-SFHVURJKSA-N 434.585 2.386 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(-n2cncn2)nc1 1300605906 BTZQOPHKPSERFU-UHFFFAOYSA-N 429.444 2.337 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300742376 HCEPQFBYHHQOAT-UHFFFAOYSA-N 443.573 2.288 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1300896110 YMVZFOQVBMZPRS-UHFFFAOYSA-N 433.578 2.465 30 10 IEEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 1300938439 FNVKWUDXLFJPPY-UHFFFAOYSA-N 425.510 2.387 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1300994414 SIQXVKPKFOFVHN-UHFFFAOYSA-N 425.533 2.281 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1 1301081301 WFPKBSPAGSWHOE-IBGZPJMESA-N 440.443 2.254 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC[C@@H]1COCCO1 1301342260 ZXUMPCMZNRGGCU-HXUWFJFHSA-N 438.532 2.286 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)Cc1cnn(C)c1 1301497176 QQJKGFCDCJKQHM-UHFFFAOYSA-N 445.531 2.193 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1301508951 XHMONUFQDGSTGL-KRWDZBQOSA-N 432.569 2.274 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)(C)C)C1 1301566522 QCMRFBROQQJIOW-SFHVURJKSA-N 429.569 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1301593273 LJEIZQWMINOKCN-IBGZPJMESA-N 447.605 2.297 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)[C@@H](C)O)ccc1Cl 1301673652 ZGTWSKAKHLWKFH-RDTXWAMCSA-N 438.933 2.193 30 10 IEEE CC(C)OCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1303548801 SLCKZAUDPLNBNM-HXUWFJFHSA-N 425.472 2.178 30 10 IEEE N#Cc1cn(CCNC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c(=O)nc1O 1310607851 CAXUDDQOLKNJCC-UHFFFAOYSA-N 448.270 2.194 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCn3nc(C(F)(F)F)cc3C2)[C@H](C#N)C1 1312469606 LYMJDHLLJAWCQT-DGCLKSJQSA-N 428.415 2.186 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1 1314540370 FZOIGSXONYGNJF-HXUWFJFHSA-N 433.582 2.085 30 10 IEEE CCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC1=O 1355382236 ICWRZYMRQZXBFP-IHIJCHFRSA-N 434.562 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncn(C)n1 1358888232 JAWSHLMXUAYNOX-HNNXBMFYSA-N 428.541 2.027 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(C)nn(C)c1C 1358938276 VVESFFKPRVIPGT-UHFFFAOYSA-N 425.924 2.330 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1358940943 SMIMUQYRLAXWJH-DNVCBOLYSA-N 434.338 2.454 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966737 VUTYQOVMRFTBEN-NOXFTYBFSA-N 447.649 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(C)c1 1358978034 BUQDJJDJXIYYQK-MOPGFXCFSA-N 426.542 2.029 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnn(C)c2)CC1 1359031029 NZFRDAAJCYXTDF-UHFFFAOYSA-N 427.459 2.084 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(=O)C(C)C)CC1 1359039479 KRCGJRQJGRKFMZ-WOJBJXKFSA-N 444.624 2.114 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCn1cc(CO)nn1 1359073293 KQTYSFCBKBODJO-HSZRJFAPSA-N 435.532 2.332 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@@]1(OC(C)C)CCOC1 1359105153 KQQYTWXJWUEBJU-WCIYBSDLSA-N 435.569 2.000 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359134332 SJPCSMCOWSGKEP-GOSISDBHSA-N 432.569 2.226 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)n(C)c2=O)CC1 1359168377 RLBKWFNEGNRRFB-UHFFFAOYSA-N 438.557 2.481 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(C)C)C1 1359321427 GFAUHBORIHDYEX-IAGOWNOFSA-N 428.624 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1440424131 UURZTGGOAHLQJS-QHCPKHFHSA-N 428.533 2.228 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 1451449650 AMTHYMHNEBVQFU-NQIIRXRSSA-N 445.516 2.261 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2nc(O)c3c(n2)CCOC3)CC1 1459897807 WKZMNEFLZTUUJU-GOSISDBHSA-N 444.333 2.400 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)s1 1465079652 IICMIMCBWJFOSY-GOSISDBHSA-N 447.582 2.409 30 10 IEEE CCOC(=O)c1ccc(N2CC(NC(=O)Cc3ccc(Br)cc3C#N)C2)nc1 1466805702 SEFHATCWRJHWSD-UHFFFAOYSA-N 443.301 2.440 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 1467664001 PYIJGPVPTJPKSL-CQSZACIVSA-N 431.942 2.295 30 10 IEEE C[C@H]1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1C(=O)OC(C)(C)C 1469227728 YPILHCHPICACFI-QMTMVMCOSA-N 449.573 2.473 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(CO)(NCC3CC3)CC2)C1 1472590225 RSVFRKDXBHQQRV-UHFFFAOYSA-N 447.377 2.110 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1501756620 VPGWQVTUAPRZOY-NRFANRHFSA-N 445.499 2.096 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCc2ccccn2)C1 1503680589 XEBMQZKRYVSPSS-DEOSSOPVSA-N 431.544 2.347 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507563501 WUJWXYDTMRKBIW-IBGZPJMESA-N 447.547 2.077 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1 1507728533 ZOMYPIJLLRYJMU-UHFFFAOYSA-N 434.544 2.301 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1508411037 IFIBUPBLDAPCQP-CHWSQXEVSA-N 426.493 2.005 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1511639827 CONDOIYNTSSRGX-UHFFFAOYSA-N 445.531 2.497 30 10 IEEE CC1CCN(CCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)[C@H](C)CC#N)CC1 1512347829 HRBPNVMFQXQFQJ-GOSISDBHSA-N 434.552 2.391 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513149852 HGDKDEDROCITDO-CVEARBPZSA-N 425.537 2.047 30 10 IEEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1=O 1514946244 KXTGJHJNYCRSSA-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1515671457 FYTDYOARDULSBW-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1516806763 BPRTWAHLQBSRDM-UHFFFAOYSA-N 441.561 2.238 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1518832757 JIQMICNOBRMMPA-HNAYVOBHSA-N 438.488 2.240 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1519158750 FWWUFHMPECZWQC-IBGZPJMESA-N 447.561 2.287 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccncc1 1519280723 FNVIKFWGIDVBCF-MRXNPFEDSA-N 449.515 2.175 30 10 IEEE COCCOCCn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1519408854 CKZONANFVSENDI-UHFFFAOYSA-N 430.528 2.477 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1522366760 NKEALCAUNVDCLZ-AWEZNQCLSA-N 435.527 2.123 30 10 IEEE CC(C)OC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1530551655 GDFPBFPJDBSBBC-FQEVSTJZSA-N 449.573 2.441 30 10 IEEE COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnc1OC 1532485726 GIYOEZNEJPUCFA-UHFFFAOYSA-N 430.486 2.010 30 10 IEEE CO[C@@]1(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCS(=O)(=O)C1 1538274023 IRWNGHVRUGISNE-HXUWFJFHSA-N 439.965 2.138 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1538963757 GMVAMNAVHHGMFI-VFNWGFHPSA-N 431.924 2.125 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CCC)C(=O)C1 1539058247 DDDYHSUZPKVQHV-UHFFFAOYSA-N 447.547 2.173 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cn2cccn2)cc1 1539284450 NSQWAUZKRQRIPS-UHFFFAOYSA-N 441.539 2.270 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCC[C@@H]2C)n1 1539423754 FMESXBCYHHZXOB-CYFREDJKSA-N 449.559 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCCC2)CC1 1539436062 HVSBGIXDJMQTSM-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](COC)OC)CC1 1539469730 FJHYTHMOWVHGLC-IBGZPJMESA-N 445.951 2.226 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3c(F)cccc3F)CC2)nnc1C(C)(C)C 1540876591 WCWYXAWYEHMVPC-UHFFFAOYSA-N 446.502 2.118 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCN(CC(=O)NCC)CC3)nnc2C(C)(C)C)cc1 1540878772 HYMZYEVHYZYTJL-UHFFFAOYSA-N 440.592 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1540901597 JKRPUIJJUGSPPJ-IBGZPJMESA-N 438.557 2.405 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540913086 HODQQPQOGAURAD-UHFFFAOYSA-N 430.582 2.284 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1540922156 FTKVXBQIRRAEMX-NRFANRHFSA-N 435.594 2.049 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1541803149 DGHNOWFPOPFNIQ-DBXWQHBBSA-N 434.610 2.118 30 10 IEEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)n1 1542867120 GJROOOKTUFEHLV-AWEZNQCLSA-N 430.559 2.499 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547700381 HYISDRVZNBEKDF-FDDCHVKYSA-N 436.539 2.285 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1562198034 ZSCAXSFFANXVRV-OALUTQOASA-N 437.562 2.325 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](O)COc3ccccc3)C2)C1 1566332917 SUVNIMQGQZUMLR-QKBUSNMPSA-N 429.517 2.329 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)CC 1587603900 PSUMIKPKMXNVKP-ZDUSSCGKSA-N 440.367 2.105 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCC[C@@H]1CC 1588628334 GZZLOOLTGXRRLG-SFHVURJKSA-N 442.564 2.356 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1588813017 VQNHEJCPDQHDLJ-QZTJIDSGSA-N 440.514 2.159 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1589027126 LGLMMXYIWDJBHJ-CABCVRRESA-N 432.937 2.295 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1589088876 LGSNNOJNZXSLLL-GOSISDBHSA-N 442.564 2.415 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](OC)C1)c1ccccc1 1593782104 GQIIBBYWHCPQBP-HHXXYDBFSA-N 433.578 2.463 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1595108786 LFTZWUUZNTZZHD-UHFFFAOYSA-N 441.557 2.406 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](COC)C1 1595497082 PKFWNQIEMQOLJO-DOTOQJQBSA-N 445.589 2.285 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1595595815 ZUEZIJJUMRWVLJ-UHFFFAOYSA-N 439.994 2.095 30 10 IEEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595603146 YVEQPHALMMGPMB-PKTZIBPZSA-N 449.596 2.262 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H](NC(=O)NC)C1 1595609655 AKENJINUGFZGQI-ZDUSSCGKSA-N 439.310 2.018 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1597448671 FJFFHYFQKLBOLI-QZTJIDSGSA-N 444.536 2.426 30 10 IEEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1613431254 FALXHUXLPPWERO-OJAHFUOMSA-N 449.559 2.278 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)OC)CC2)c1=O 1615727045 CAXRRPPKJQUNPM-UHFFFAOYSA-N 446.511 2.436 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(C)C)CCO1 1618709064 HRDDKSRNFZEXKN-IBGZPJMESA-N 440.548 2.362 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](N4CCOCC4)CC3)CC2=O)cc1Cl 1623874580 BTFRQIUERPNNRV-ROUUACIJSA-N 430.936 2.278 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1627905635 LEGWTRFLURDILX-HOTGVXAUSA-N 429.945 2.262 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1635738250 IAZGAYGINUOQPJ-UHFFFAOYSA-N 425.346 2.371 30 10 IEEE O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)N[C@H]1CCN(O)C1=O 1636352083 CLVYDAHGCWAVRF-INIZCTEOSA-N 445.451 2.411 30 10 IEEE C[C@H](CC(=O)NCc1noc2c1CC(C)(C)CC2)/N=C1/NS(=O)(=O)c2ccccc21 1637258878 LEBJIXZQYYXGHK-CYBMUJFWSA-N 430.530 2.323 30 10 IEEE Cc1nc(COc2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cc2)no1 1639049412 BOTNPGZXSCYMFC-UHFFFAOYSA-N 436.424 2.475 30 10 IEEE Cc1ccc(Br)c2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)[nH]c12 1640636684 LFGLSFVYBWLVLI-UHFFFAOYSA-N 428.246 2.070 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(O)Cc2cccc3ccccc23)c1 1641873190 KAOMUIIJHMBHCK-UHFFFAOYSA-N 441.509 2.238 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1650672061 FOLOPDGQIXFUGY-TWKLXCTBSA-N 431.414 2.127 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)CCO2)cc1 1652919150 GFWDIGQDZCHINY-URAOTHONSA-N 426.494 2.427 30 10 IEEE COC[C@@]1(C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 1659652811 XZHKOZWAQCHRMJ-UZUQRXQVSA-N 430.549 2.093 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(OC)c1 1662835717 CDDJGGXVEAUPLO-UHFFFAOYSA-N 443.525 2.296 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)ccc1Br 1663627022 DDKOEQIHBLXYAP-UHFFFAOYSA-N 432.303 2.439 30 10 IEEE C#CCN(C(=O)NC[C@]1(c2cnn(C)c2)CCCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1685569580 HXRLAZHDSUDGOW-QHCPKHFHSA-N 445.564 2.470 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1689888918 UQSQWBMCSLKOGW-VQTJNVASSA-N 430.597 2.360 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1689989353 DVFHQMOYYPTGLA-RBUKOAKNSA-N 442.585 2.497 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCc1ccc(C)cc1 1690019909 ULEGQWHUCMWAHM-HXUWFJFHSA-N 442.610 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)CCCC)CC1 1690144121 MKOAZNMRFQPGIO-UHFFFAOYSA-N 437.592 2.346 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1690155451 KDYPOKXGDBULFV-ULQDDVLXSA-N 425.624 2.271 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690287825 VXYLZCZQFYAIHH-MRXNPFEDSA-N 426.521 2.290 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690327783 XNIBNLDOIHBREV-OAHLLOKOSA-N 431.928 2.419 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1OC 1690516475 KNPWNVAWDPVDPT-IAGOWNOFSA-N 448.593 2.220 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1)C1CC1 1690539810 NJLYVPIMJGKNAQ-UHFFFAOYSA-N 429.546 2.030 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1690595475 XLNFSYIDWAQBNO-HSZRJFAPSA-N 436.564 2.109 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2sccc2[C@@H]1CC 1690655310 OFJXPMPBBWPXKU-INIZCTEOSA-N 428.562 2.392 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1690676181 RWQZJYQPQMEIKD-JKSUJKDBSA-N 426.546 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCS[C@H](C(C)C)C1 1690726495 BWDZERUDVUFZCJ-SFHVURJKSA-N 435.619 2.443 30 10 IEEE CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1692420592 CSFAKSMWJQYBAG-FHWLQOOXSA-N 436.626 2.144 30 10 IEEE CCN1CCN(CCCn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@H](C)C#N)CC1 1695903110 FCIZDRXIMTXMOK-HXUWFJFHSA-N 449.607 2.140 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C12CCCC2 1696451547 IQRJOAOUORWGMN-WMHBUWLTSA-N 428.537 2.287 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C1 1697038985 CKOBYWZKKAVPHS-UZUQRXQVSA-N 439.516 2.279 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1697776229 QBOBALRGTHGXBY-UGKGYDQZSA-N 428.512 2.102 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1698294787 BZCSQFKURUYHOS-IBGZPJMESA-N 436.497 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CC 1705480978 ZTCYYJKOOLDKIS-WMZOPIPTSA-N 443.621 2.489 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1705495727 UOSDWPNYWZHYTE-FUHWJXTLSA-N 443.573 2.403 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cscc2C)CC1 1705635046 PKJZAGVMFDIJJS-QFIPXVFZSA-N 429.590 2.492 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN(CC)CCC(F)(F)F)CC1 1705641011 NECJLOCDSQXLRE-UHFFFAOYSA-N 449.525 2.293 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccco2)CC1 1705643697 PGCUHPJWNSGLGQ-HDICACEKSA-N 440.548 2.445 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2c(C)noc2C)CC1 1705650061 KGYPZJGWABSEQE-UHFFFAOYSA-N 447.543 2.077 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1705694544 BVVCNCNAWUSGLG-RBUKOAKNSA-N 429.546 2.279 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1706060737 BZWGLRXPCPZSKU-LEWJYISDSA-N 438.532 2.148 30 10 IEEE CC(C)N(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C(C)C 1706562581 GEPMIZBFTBCFAB-LJQANCHMSA-N 436.626 2.429 30 10 IEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CC1 1710045781 BKYUSEOXDVVBFU-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE CN1CC[C@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(CC#N)CC2)C1 1711275196 JNSSULZRPXETBC-JOCHJYFZSA-N 430.503 2.344 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1722296583 RZIWJOOLLPNNOL-ZIAGYGMSSA-N 431.543 2.403 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1722324510 SUNDKWZZZWCNPZ-KRWDZBQOSA-N 442.951 2.237 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722366276 HELZYYNATXDEQN-MRXNPFEDSA-N 434.949 2.493 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc(C(C)(C)C)s1 1722421562 MGBFWXPFGKVGKC-OAQYLSRUSA-N 448.593 2.214 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1722513476 XFNZTGKLHADLRL-QHCPKHFHSA-N 440.548 2.382 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722534287 LZMMHABCJVQCJH-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1722604805 LENKYCYTTCMEFV-IAGOWNOFSA-N 448.568 2.254 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1722672883 BOBBCXYZQDGDMH-UXHICEINSA-N 430.574 2.452 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1cnn(C)c1 1722700600 NJWJYKKMHLGRLC-IBGZPJMESA-N 435.532 2.255 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1723643362 MFIZJQVTYXSEHT-KRWDZBQOSA-N 438.305 2.013 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740557255 IELDVGPAHPRVDI-ZWKOTPCHSA-N 440.573 2.021 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740620471 WRNIMAXPHQAQPM-NQIIRXRSSA-N 448.976 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1740620864 YLWCPSQLKNMLQS-OAQYLSRUSA-N 446.536 2.081 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1740623744 ADNWWIIJMLAGMM-LJQANCHMSA-N 443.573 2.089 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740643223 JAVKCNZYNVSUAY-UHFFFAOYSA-N 436.560 2.338 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(F)c2)CC1 1740700891 MGKNADPOSLPZRC-FPOVZHCZSA-N 427.524 2.139 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740723920 WIYZFGFFOMZBTO-NSHGMRRFSA-N 443.573 2.421 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740744769 XWYBPONOUFFWET-DLBZAZTESA-N 440.386 2.239 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740752189 UNQNMKNYDQSUHP-UXHICEINSA-N 431.581 2.458 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(C)c2)C1 1740976795 NVDLDRRZWHNVAS-HXUWFJFHSA-N 435.532 2.198 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C)[C@H](C)C1 1740985100 BHSIPWWKQXAUKE-HZPDHXFCSA-N 425.599 2.280 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1741002757 LSPABVSNZZUGCY-IXDOHACOSA-N 426.608 2.247 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1741274410 MVTXLRFSIRDNCI-FQEVSTJZSA-N 449.559 2.084 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2CCN(CCN(C)C)CC2)n1 1742678047 CUYYBHWYBZDIOE-GOSISDBHSA-N 441.628 2.009 30 10 IEEE C[C@@H]1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CCO1 1742947034 AAEHUXPZKGQTTI-GPMSIDNRSA-N 446.577 2.211 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC(O)CC1 1748649870 UFKYFXQNKBIHLC-KRWDZBQOSA-N 427.549 2.267 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC[S@](=O)CC)c1 1748692589 JENXGPJHRINQJZ-FZYZMVIOSA-N 443.573 2.345 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1748730267 HOBFARBZTFWAMO-SFHVURJKSA-N 445.531 2.234 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)N1CCOCC1 1748842136 DKZLVDFAPRLOFB-LJQANCHMSA-N 430.512 2.394 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1748914861 KJQAOAAZXCLUSO-UHFFFAOYSA-N 429.431 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O 1749129694 GQGYIMUAYMZLGG-MNDZRTMASA-N 441.532 2.472 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(OC)c2)CC1 1749286103 FIFJMRCJZVWLNE-INIZCTEOSA-N 449.577 2.305 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749430594 RBNQZJNCGTVKHV-DLBZAZTESA-N 448.568 2.220 30 10 IEEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749501902 KDWHHEDTBLEOPP-UHFFFAOYSA-N 436.603 2.441 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749730472 FVEUMMTZVHNBAY-NRFANRHFSA-N 445.520 2.111 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1749749837 RUCJGDSBNBPIMW-KRWDZBQOSA-N 439.593 2.370 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cccs2)CCO1 1750388305 NLIAQHFNSATXCV-OAHLLOKOSA-N 428.543 2.151 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC)[C@H]1CCS(=O)(=O)C1 1760180232 APUSNPKPGNCXCJ-AWEZNQCLSA-N 440.367 2.083 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760187939 MERFYSHXKFDIEF-LJQANCHMSA-N 428.558 2.478 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cccnc2OCC)CC1 1760261828 DEUREQWEZDWZAO-UHFFFAOYSA-N 446.555 2.475 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760306340 FTKXJEJCFASBSV-RBSFLKMASA-N 445.383 2.094 30 10 IEEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760399984 JECSXYBZDQFONX-UHFFFAOYSA-N 434.537 2.426 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2cncn2)C1 1760514806 FXODUKVYFBUGFF-KRWDZBQOSA-N 426.912 2.334 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(-c2cccn2C)nnc1N1CC[C@](F)(C#N)C1 1761580616 ZUWHMIBDZMQLMC-NRFANRHFSA-N 425.468 2.447 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1762425471 SVLCCNVPABHDCE-SJLPKXTDSA-N 440.552 2.057 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)cc1 1762603996 DXJGLDOLOPHZRI-IBGZPJMESA-N 431.562 2.451 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1768173403 FBVYXJXSGNACNM-UHFFFAOYSA-N 431.500 2.488 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1768588856 WQKZBUOAHAVFMR-UHFFFAOYSA-N 430.578 2.283 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(C)C)C[C@H]1O 1769452369 QWCIBVIICCGPPN-WOJBJXKFSA-N 441.532 2.240 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1772852191 FMXCWBOFSYVUDE-UHFFFAOYSA-N 432.532 2.484 30 10 IEEE C=CCN1C[C@@H](C(=O)N(c2ccc(OC)nc2)S(=O)(=O)c2ccccc2C)CC1=O 1852820134 OZYNQOCZYHWLIV-INIZCTEOSA-N 429.498 2.155 30 10 IEEE C=C[C@H]1CCCCN1[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1854536063 FWXNTGAEBRVLQM-ICSRJNTNSA-N 431.558 2.253 30 10 IEEE CC1(C)C(=O)N(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)CC#N 1856152877 QFFZZFIMTGGUEL-UHFFFAOYSA-N 425.510 2.121 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C2=O)CC1 1857068434 NVXSLCGSHQPVOL-SFHVURJKSA-N 427.867 2.309 30 10 IEEE C[C@H]1CC(=O)N(C(=O)COc2ccccc2F)c2ccccc2N1S(=O)(=O)CC#N 1857463473 UVOPBWNXHARGTH-AWEZNQCLSA-N 431.445 2.216 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(CCC)nn2C 1864320193 MSLSWRUXAWBUMV-SFHVURJKSA-N 426.517 2.131 30 10 IEEE N#Cc1ccc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c([N+](=O)[O-])c1 1866023001 ZKSPGEMWEIMAAL-UHFFFAOYSA-N 429.186 2.464 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C1CCC(N2CCN(C)CC2)CC1 1869061334 LAUQEPGVQPNLTL-CBNMVNINSA-N 436.666 2.231 30 10 IEEE COc1cc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)ccc1OC(C)=O 1870142564 QBFWIZQYQSUETK-XBXARRHUSA-N 447.407 2.453 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CSc1nnnn1C 1870213950 CFYPXPIUJSXKBT-UHFFFAOYSA-N 430.465 2.007 30 10 IEEE CCOC(=O)c1sc(C2=C(N)N(CCc3ccc(OC)c(OC)c3)CC2=O)nc1C 1873527633 JCPWYYDCNSHDPE-UHFFFAOYSA-N 431.514 2.400 30 10 IEEE COc1cc(/C=N/n2c(CCc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 1874402738 FIRPARZAYXIULR-FSJBWODESA-N 441.513 2.246 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CO1 1908271637 BCQWGBLOBOEUAW-YZGWKJHDSA-N 428.533 2.247 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)O 1914795532 VPNWZCFTCOOIPS-BWAGFHJFSA-N 436.512 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2049163827 XSCRKCSYOCZGKX-OALUTQOASA-N 432.370 2.446 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)CO1 2054340415 AGRYEZGXXGYZNT-ZDUSSCGKSA-N 439.372 2.373 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccccc1C#CCO 2145940051 WGFARQVUKDISEN-UHFFFAOYSA-N 426.494 2.239 30 10 IEEE Cc1nc(C(=O)NCCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243390555 XNWWTIKYGQJSKU-UHFFFAOYSA-N 425.360 2.347 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243417659 QQOWEDSTKVOROV-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N(CCN)Cc2ccccc2)OC1(C)C 2247954429 YPTDWGDKWXEITN-UHFFFAOYSA-N 434.342 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248412450 KAFPSIJRYUMQSW-ZDUSSCGKSA-N 437.371 2.458 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255628312 GKUIBGUJHOCHKN-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2255699811 SRRZPLPTTFDKLE-GJZGRUSLSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2255852191 AMHCNELWIQCPGP-HOTGVXAUSA-N 442.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267096373 JGQVGNUREHINBJ-RCDICMHDSA-N 446.357 2.086 30 10 IEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135309 BAKCPUASDGSJOA-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267138627 YOVODVZSUCHACU-JOCHJYFZSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2267140341 BOWNMCMMNYMIMK-UKPHBRMFSA-N 446.357 2.227 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267493962 BACFHSKGBYGOMD-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267527379 GPPJVOXMKWEZDZ-TTZDDIAXSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@@H]21 2267832490 HHVKLPYTTHMQRC-MOPGFXCFSA-N 445.369 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268631721 BPYVWUZKHWWCLF-ZWKOTPCHSA-N 446.353 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268641279 BAWKPNXNQXHNPW-INIZCTEOSA-N 447.341 2.345 30 10 IEEE Cn1c(=O)c2c(nc(N=CC=Cc3ccc([N+](=O)[O-])o3)n2Cc2ccccc2)n(C)c1=O 2297482226 YSSAKFBWZDCTLQ-UHFFFAOYSA-N 434.412 2.399 30 10 IEEE CCOc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327906568 GXKFXGQKSSTTDW-HNNXBMFYSA-N 447.561 2.463 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334263566 RPMPSVPQKIEMNH-BFYDXBDKSA-N 443.353 2.427 30 10 IEEE NN[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1cc(I)ccc1Br 2342538846 XUBHEVVEWVEVQB-TWJQMWNJSA-N 433.087 2.454 30 10 IEEE C[C@@H](NC(=O)CSc1nnc(N/N=C/c2cccc([N+](=O)[O-])c2)n1N)c1ccccc1 20291927 BRKHKHQVENYDBW-SRRANQMSSA-N 440.489 2.316 30 10 IEEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OC 46016789 XHCLXUYGLJNXQC-HNNXBMFYSA-N 429.440 2.113 30 10 IEEE CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](OS(C)(=O)=O)[C@@H](O)CO 256078332 DIGKQJJVWFSJQE-LWYYNNOASA-N 426.616 2.497 30 10 IEEE CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409478379 QSWVFIMZFMKVCN-JCGIZDLHSA-N 430.933 2.062 30 10 IEEE COC[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)NC(=O)C1(c2ccc(C#N)cc2)CC1 438368385 SJZLXTNHXVCLIN-QFIPXVFZSA-N 442.519 2.441 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCc2c(Cl)cccc2C1 474643615 HYXXVYCGMXXFDE-OAHLLOKOSA-N 446.960 2.053 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc32)CC1 486013259 CXQDKHVCNNXDFS-QGZVFWFLSA-N 431.901 2.221 30 10 IEEE N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502035533 XIZSXCBEPXVZDB-RBUKOAKNSA-N 444.944 2.089 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 508960022 IEUKXUVRXUSADW-RTBURBONSA-N 431.562 2.099 30 10 IEEE Cc1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C#N)c1C 532917372 RGNHQXCASYRLRD-UHFFFAOYSA-N 443.554 2.053 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)cc1 540018122 STNPERVHDZTSMS-FQEVSTJZSA-N 443.569 2.114 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(Br)c3)n2CC)CC1 549071121 GWTUBXUEEQDBGZ-UHFFFAOYSA-N 433.354 2.152 30 10 IEEE CC(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549819220 MPMZFIXKMVZXES-UHFFFAOYSA-N 439.545 2.312 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 552269337 WLHINAVUKBIKMA-CQSZACIVSA-N 447.479 2.072 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 610355986 GNAWTGQNBBTEQN-MRXNPFEDSA-N 427.530 2.059 30 10 IEEE Cc1cc(=O)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1-c1ccccc1C(F)(F)F 732650072 ZIHIHOUPFLVIQV-HNNXBMFYSA-N 431.418 2.372 30 10 IEEE N#C[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CCN1C1CC1 732698289 XBOOJEKBZZVXBX-INIZCTEOSA-N 434.338 2.490 30 10 IEEE C=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(=O)OCC 733870992 WJOPGOHWORJQFW-UHFFFAOYSA-N 439.559 2.289 30 10 IEEE CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741340824 HJZSXEKXOUUPCD-KGNHYALCSA-N 441.484 2.209 30 10 IEEE COC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2cnc(-c3ccccn3)s2)NC(=S)N1 753387275 IPTJFIMJFJBHGT-OAHLLOKOSA-N 437.506 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](C#N)C1 754559234 ZYXIORUGHMQIJO-MRXNPFEDSA-N 440.500 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCc1cn2ccccc2c1C#N 755183480 FGQJKQSUBXACSS-SFHVURJKSA-N 426.473 2.370 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C)n1 757599113 XETDHZYCNMMDSM-NVXWUHKLSA-N 425.493 2.076 30 10 IEEE C[C@H](COc1cccc(C#N)c1)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 777319882 VWTZTVGHMXANQD-QAPCUYQASA-N 431.489 2.384 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1=O 782757600 GTDMRIZNUQXOGU-RGELYXPASA-N 447.495 2.227 30 10 IEEE COC(=O)N1CCC[C@H]([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 788674144 CDTDWKYXXDQJFE-AAEUAGOBSA-N 430.324 2.466 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(NS(=O)(=O)CC)CC2)CCCN1C(=O)OC(C)(C)C 790317177 BGHDSRQQRXYZPB-HXUWFJFHSA-N 429.583 2.263 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1nc2cc(Br)ccc2n1CC 790472525 FUESRSVXTKAZFF-UHFFFAOYSA-N 429.340 2.219 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC(=O)N2C(C)(C)C)cn1 796843972 CDEFDUVHUNEYKL-AEFFLSMTSA-N 449.577 2.028 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 800605183 CQWVYTUKWQMSBT-UHFFFAOYSA-N 429.489 2.124 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C#N)(c2ccccn2)CC1 807478526 UTPHNZRBVXHCDZ-INIZCTEOSA-N 430.505 2.312 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1ccnc(C(F)(F)F)c1 808528170 WOSIUFLARZGLPH-LLVKDONJSA-N 441.387 2.065 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)cc1F 813645468 VNZPUCKQKIIXNQ-UHFFFAOYSA-N 431.489 2.299 30 10 IEEE C[C@H](NC(=S)NN=Cc1nccn1S(=O)(=O)N(C)C)c1ccc(Cl)cc1Cl 814830052 VJKQEZCSKAYHTB-JTQLQIEISA-N 449.389 2.404 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c(=O)[nH]c21 914849851 CEXOCENDQINQAK-AATRIKPKSA-N 447.499 2.405 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)ncc1Br 1136458038 ORWIDEXKWWWXGG-UHFFFAOYSA-N 446.143 2.295 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC(O)(c4cccc(Br)c4)C3)CC2=O)cc1 1151267335 DJJVBDKQZYHLON-HNNXBMFYSA-N 440.297 2.404 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1153313370 KHMWOWIXGVJBBL-CYBMUJFWSA-N 433.368 2.440 30 10 IEEE COC1(OC)CC2(CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)[C@H]2c2ccccc2)C1 1163814067 WTHDFODZGJHYBY-LCPUNJGISA-N 425.485 2.256 30 10 IEEE COC(=O)c1cnc(CC2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)s1 1197404737 UYBBVPRMZBXAPO-UHFFFAOYSA-N 437.521 2.484 30 10 IEEE CCOC(=O)c1cnn2ccc(NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc12 1210051790 HCKTYPTVOXKADN-IBGZPJMESA-N 446.467 2.305 30 10 IEEE C#CCCCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286335333 POUHMZMLRSWUOC-AUSIDOKSSA-N 429.565 2.323 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286348637 ZBSNXUJXPAJTCU-GOSISDBHSA-N 435.553 2.477 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1286379823 CMSGRBPDTBZUGI-QGZVFWFLSA-N 437.610 2.259 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286398159 WHTKZFMTLIMSPW-ZCNNSNEGSA-N 428.558 2.245 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)NCC(F)(F)F 1286399463 HMKLIVVOGNCCQB-AWEZNQCLSA-N 437.397 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H](C)C1 1286443027 VMVCEYBYXXVCMT-GOSISDBHSA-N 443.621 2.430 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1286450138 DCYAMBVJWAELEI-MRXNPFEDSA-N 428.562 2.380 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(-n2cncn2)c1 1286465996 AUCULTDCOJITLQ-UHFFFAOYSA-N 448.556 2.349 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)COC)CC1 1286472117 DZTSHNNDUABHOK-OAHLLOKOSA-N 435.370 2.084 30 10 IEEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1286619306 QPPFOPWFMCPIQN-OAQYLSRUSA-N 438.576 2.490 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(F)c2)CC1 1286637352 CBXRZQUELGYWCR-HNNXBMFYSA-N 437.541 2.435 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286687130 LTSXTFVXEJIFSJ-WOJBJXKFSA-N 429.613 2.190 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1286726879 JVXAVYYXTLZZAM-GOSISDBHSA-N 434.562 2.184 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1286746488 ZEGRPXDXGSUDLC-SFHVURJKSA-N 441.561 2.033 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1286756084 GUNITENAFNGLRP-UHFFFAOYSA-N 430.516 2.461 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccsc1 1286782048 IZUJUMKGPCCSAU-UHFFFAOYSA-N 445.570 2.349 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286790223 LEDKVOKXNNVTET-IBGZPJMESA-N 427.549 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CCOC)C1 1286816004 DPCKBUJJBIMDHS-QGZVFWFLSA-N 429.546 2.280 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCCCC2)CCOC1 1288323243 SHTVAFQNSYNEOJ-WMZHIEFXSA-N 446.596 2.312 30 10 IEEE C[C@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CCO1 1289338871 GRQVJSHZMJVZJH-FQEVSTJZSA-N 431.539 2.250 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCOC1 1298187779 KREUIJLVVPXELW-QUCCMNQESA-N 427.505 2.149 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1299332667 ABCUOBHHGHWYTG-ZQHDKMAOSA-N 427.530 2.117 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 1299714748 GRUDTZZJOJFXJL-PXNSSMCTSA-N 438.532 2.246 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300372273 ONGFAJXXWXMFBC-OAQYLSRUSA-N 442.545 2.104 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300411771 XCUUFZGZLASCNG-LEWJYISDSA-N 442.608 2.109 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300448796 GTDKOGGLXNNOID-QGZVFWFLSA-N 437.422 2.006 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300488400 DNQAOPFMEIGGQX-AWEZNQCLSA-N 446.451 2.400 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCCC1 1300618928 OWZOMDBOIJOGSD-SFHVURJKSA-N 443.621 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2Cl)CC1 1300719994 YNOGHUGWFOPYPL-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1300983686 MMVXMMLSQLOQTP-QGZVFWFLSA-N 426.525 2.422 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC)C1CC1 1301323949 XOVBEMKANKYGIJ-SSEXGKCCSA-N 426.546 2.115 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC2(C)C)CC1=O 1301927465 GOSSKOQYVNHKCC-SFHVURJKSA-N 438.532 2.070 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)C1 1302978143 GMIHJTACKXZPAE-IFXJQAMLSA-N 431.859 2.029 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSCCCO)CCO1 1303001729 IDOYLWOPOXOJHL-MRXNPFEDSA-N 439.488 2.391 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(C(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1304005850 JTEBFXAVSDZKNS-GOSISDBHSA-N 425.537 2.300 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1314054522 IYPMEDIGHMQPDH-PKOBYXMFSA-N 438.532 2.259 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C[C@H]1OC 1316333768 HEGYMWYKEBDSBZ-OYRHEFFESA-N 441.532 2.395 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1324191756 BCLLVUIYIKBQRW-NSHDSACASA-N 426.844 2.441 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1354784266 ACCIAQAOIXALEA-OAQYLSRUSA-N 429.542 2.144 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1358871569 HGAYMFIYDBQQBL-NSHGMRRFSA-N 444.605 2.183 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936256 IOUNBXXDBSRISB-QHCPKHFHSA-N 442.564 2.351 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358957023 ONVQRUAWFWBUEW-JKSUJKDBSA-N 449.543 2.303 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1358970134 GOEBUGVJQWIVOJ-KRWDZBQOSA-N 444.532 2.455 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1359132360 VOVKQXOMVFAKGN-UXHICEINSA-N 441.532 2.408 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359150979 JXPPIJCEQLHDGT-JKSUJKDBSA-N 428.928 2.301 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1359227424 ATYFTLFCHHGVCA-FQEVSTJZSA-N 441.532 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCO2 1359330645 YHGFTZOZNTYXQH-UHFFFAOYSA-N 441.513 2.306 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1359332650 CTUCUBQALGFRLI-MOPGFXCFSA-N 446.573 2.385 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359335578 PDJMHOKIACTDFM-UHFFFAOYSA-N 442.973 2.107 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1361162120 ILWCEDAULGXFPH-OALUTQOASA-N 427.505 2.008 30 10 IEEE CCN(CC)c1ccc2cc(C(=O)N(CCC#N)CCN3CCOCC3)c(=O)oc2c1 1442495926 GTDWXKZTWOGTHL-UHFFFAOYSA-N 426.517 2.327 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](CO)c1ccccc1I 1460911968 DZFGDSRVQYSKLK-XGWLTEMNSA-N 429.302 2.357 30 10 IEEE N#CCc1ccccc1S(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1463134789 HCGRWRLXCAKOBC-UHFFFAOYSA-N 433.555 2.025 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1)C(=O)OC 1464254828 KAAJALVZDHXKBY-CQSZACIVSA-N 434.308 2.412 30 10 IEEE C#CCOc1ccccc1CNC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C 1465188611 KBHHLWLSIHDXJM-AETAKHFUSA-N 434.414 2.300 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CSC1 1469995273 AMSPTYCEKYNPBR-UHFFFAOYSA-N 430.954 2.457 30 10 IEEE CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1nc(C#N)cs1 1472147268 YXEHPFJZPXNWNT-SIJIIQCFSA-N 436.584 2.343 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)c(Cl)cc21 1475467640 QGHOJCSIHJSMTM-LJQANCHMSA-N 433.917 2.475 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCN(C)CCOC 1499145176 DMHGWRNEDRYKFK-UHFFFAOYSA-N 431.972 2.270 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](n4cncn4)C3)n2CCCCCO)cc1 1505318778 MJIYCQXCRAQOMD-IBGZPJMESA-N 436.520 2.324 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1507561489 QKVLDASTWHYMGX-HOTGVXAUSA-N 427.509 2.117 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1507629806 WNGKEJPMJVOTOC-KRWDZBQOSA-N 444.557 2.389 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1507916177 LLRRSACHNHEBCX-JKSUJKDBSA-N 433.582 2.253 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(CC)c1 1507969955 AIYLLHJRXWGPMR-UHFFFAOYSA-N 428.566 2.434 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](COC)C1 1508080843 ROSZBGLAUONCSI-GOSISDBHSA-N 435.532 2.296 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1516755061 JLRHEMJCOIPPHP-JOCHJYFZSA-N 437.592 2.315 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1519008976 LORWAISGVQAIHD-HLAWJBBLSA-N 441.532 2.131 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1521143033 CMPBSNFPZUNMHO-KRWDZBQOSA-N 425.468 2.202 30 10 IEEE N#Cc1csc(CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)n1 1538824413 GPFJTERMPFSEPC-UHFFFAOYSA-N 432.303 2.165 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1539085853 RWFFYXFURRIEBG-UHFFFAOYSA-N 426.565 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cn(C2COC2)nn1 1539155363 RSFFFTVLWGESCD-UHFFFAOYSA-N 446.284 2.127 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1cccnc1 1539259875 JRQWYYYRNCNDKX-UHFFFAOYSA-N 437.507 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1539305475 CHVUCHXQMWZQNQ-UHFFFAOYSA-N 425.920 2.344 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1539402551 DLZSVDKKXPYOPD-UHFFFAOYSA-N 426.912 2.129 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2ccccc2F)CC1 1539429724 BZGZQWQJQICGBM-DEOSSOPVSA-N 441.551 2.457 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCO[C@@H]2CCOC2)CC1 1539484410 OGLQSVZBFZSRJE-OAQYLSRUSA-N 443.592 2.172 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1539683550 YKIBPWQHCRXIPR-VQIMIIECSA-N 449.577 2.269 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1539729706 RKOCDUCLDZJOAH-INIZCTEOSA-N 429.521 2.257 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCn2ccnc2C)CC1 1539874608 NXMPQELEEPSBHY-MRXNPFEDSA-N 435.598 2.276 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1540164927 YMFIFSCAHCENSP-HSZRJFAPSA-N 436.516 2.176 30 10 IEEE Cn1c([C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc2)nc2ccccc21 1544044338 ALGHDGARWCEZSL-HXUWFJFHSA-N 428.452 2.003 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 1544591074 DDCQKNSOLIQRLD-CQSZACIVSA-N 436.538 2.302 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)SC 1555752277 CDCAALFXQZJHDH-JQHSSLGASA-N 434.610 2.320 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1556994450 CQAKBOIZHYWLMF-SFHVURJKSA-N 430.526 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCN(C(=O)c3ccncc3)CC2)CC1 1557166921 LGKSDCXEBHBKTH-UHFFFAOYSA-N 440.544 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(Cn4ccnn4)CC3)C2)C1 1566457447 HWKPSKBDBKOFFJ-WUZYXKQASA-N 428.537 2.304 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NCc1ccnc(C#N)c1)C(=O)OC(C)(C)C 1568545714 BVRKAEGBDAFUQW-UHFFFAOYSA-N 433.509 2.331 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1568632295 LQAQFCUBKKAWJD-LLVKDONJSA-N 428.367 2.470 30 10 IEEE C#CCN(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CSC1 1584186226 NCWKUEKOLVWHTP-QFIPXVFZSA-N 433.533 2.077 30 10 IEEE CC(C)(C)OC(=O)Cn1cnc(NC(=O)COc2cccc(Br)c2C#N)n1 1584830559 BFUUGCAVJWOWKD-UHFFFAOYSA-N 436.266 2.271 30 10 IEEE CC(C)[C@H](O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1585602166 PQHRWJCOTJSPES-SFTDATJTSA-N 429.542 2.380 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1587632414 LRIDGXXOURYOES-NHCUHLMSSA-N 437.592 2.237 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588030502 WOBNQCWQBGVGNH-UZLBHIALSA-N 436.603 2.172 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588049606 JFGMKLGTMQWRBW-JLAWEPINSA-N 445.589 2.495 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1588054480 NQOIEMSZNYDBQV-RHSMWYFYSA-N 449.602 2.385 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CCC)CC1 1588109314 BRCAMRPGEYUVMG-UHFFFAOYSA-N 443.559 2.116 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1594484097 NPFPNKBUCIHFDN-MRXNPFEDSA-N 449.559 2.461 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1594497846 NIMHNBCYUBPOIF-MSOLQXFVSA-N 449.621 2.374 30 10 IEEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594590901 FCRSFAAYVZWTHF-UHFFFAOYSA-N 438.576 2.282 30 10 IEEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594726672 DGCHYJCPPGQMHD-UHFFFAOYSA-N 447.609 2.455 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1594813051 NIZJHKNVMDMSIP-LAUBAEHRSA-N 440.610 2.414 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595871355 OTNFXXFVPCYOFN-HXUWFJFHSA-N 426.550 2.140 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)C2)c(F)c1 1606642288 RVBFFSAMQOATFB-UONOGXRCSA-N 430.871 2.068 30 10 IEEE CCCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1614984650 GAPWXRZSMUSFHK-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2nc(C3CCOCC3)n[nH]2)CC1 1618706683 SGTILSAZXVRWGK-SFHVURJKSA-N 428.924 2.304 30 10 IEEE C#CCn1cc(CNS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)cn1 1622335514 IRJSCRIPNDLBLO-QUCCMNQESA-N 430.530 2.031 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)n[nH]2)c1C 1623792232 UYAAWLJOCIGPLE-UHFFFAOYSA-N 447.543 2.473 30 10 IEEE N#Cc1c(CCCNC(=O)c2cc(-n3ccnn3)ccc2F)nn(-c2ccccc2)c1N 1625331760 GXTRUJRALVRJLO-UHFFFAOYSA-N 430.447 2.409 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1627251808 VKKDGXGPOBCQSW-MWQQHZPXSA-N 427.467 2.129 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 1627843192 NMBKSJPAEWXUAN-KRWDZBQOSA-N 431.489 2.225 30 10 IEEE C#Cc1ccc(NC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1628057146 BAVWTCJAOYMEPM-UHFFFAOYSA-N 441.509 2.368 30 10 IEEE CSc1nc(C2CC2)cc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1C#N 1633360425 NLJAWLWGEKJRDZ-UHFFFAOYSA-N 434.568 2.460 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CO1 1633661985 BTMDFGHYAPWTPG-YLFCFFPRSA-N 437.537 2.389 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1634240023 BRUOHXCQDZOFCA-UHFFFAOYSA-N 426.542 2.454 30 10 IEEE CC(C)(C)CC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 1635255825 WYOPDLCWOLLNLH-INIZCTEOSA-N 436.578 2.082 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F)c1cc[nH]n1 1637826329 YWTHWGGMHBHGHL-JTQLQIEISA-N 428.367 2.311 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 1638024621 YSVRFZAMQRATQA-KRWDZBQOSA-N 435.546 2.116 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 1641462029 HQZYNNSTLSHASV-UHFFFAOYSA-N 431.540 2.183 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3ccc(O)c(Cl)c3)CC2)c1 1644209389 CJRIQJPGBONSCW-UHFFFAOYSA-N 426.904 2.493 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1cncc(Br)c1 1646138990 DKNOPJQMUXXQFK-HNNXBMFYSA-N 449.330 2.246 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CCCN1C(=O)OC(C)(C)C 1647893351 WMTZQNSHXGYBTP-ZEQRLZLVSA-N 448.560 2.476 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@H](C)C1 1649557207 AVWICICYKNUVIH-DLBZAZTESA-N 443.552 2.245 30 10 IEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1649600953 FDORYGKEEBVHMG-SVMVAKDDSA-N 429.496 2.401 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccc2NC1=O 1652916248 IZJYCQJJNJKAFK-VGOFRKELSA-N 428.489 2.219 30 10 IEEE Cc1nnc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)n1C 1659719603 FBBYHWGCWAZXQE-CQSZACIVSA-N 427.578 2.332 30 10 IEEE C#CCCN1CCN(S(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)CC1 1661038923 JKROLAZGUCUWFG-UHFFFAOYSA-N 443.363 2.264 30 10 IEEE C=CCn1cc(CNC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)nn1 1684658656 ZRPQGJDNPNZIMT-UHFFFAOYSA-N 437.470 2.234 30 10 IEEE COc1ccc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1C#N 1684862293 UYLCWRSHYOFNRD-YOEHRIQHSA-N 431.436 2.218 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1685267415 YFJUDZYWWFDVCQ-RTBURBONSA-N 434.581 2.284 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1689901672 OFJAGKBUYHWJJA-FCHUYYIVSA-N 439.608 2.490 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1689941349 NGDOMZNDUJWNOF-BZSNNMDCSA-N 442.564 2.478 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1689986846 XZFCASLIONDXNV-DLBZAZTESA-N 430.505 2.056 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1689989648 HQUNCLBQAQUKAO-LJQANCHMSA-N 443.573 2.404 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(c2ccncc2)CC1 1690029925 LESLDMWYYGVGRA-GMAHTHKFSA-N 448.571 2.387 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690163905 VLIFALOJNBAIKA-MRXNPFEDSA-N 445.980 2.400 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690175582 ZXFCWTLRWYDJKO-ROUUACIJSA-N 427.578 2.044 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1690300898 MVDSRUCBYNHASW-AWEZNQCLSA-N 425.580 2.105 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(N)=O)c2)CC1 1690394846 OGROCRFYGNLAQL-UHFFFAOYSA-N 431.500 2.475 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1690460298 GJEIYDRCLRNFOO-UHFFFAOYSA-N 426.546 2.117 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690500561 ZHUAXHHAOCYHCK-QGZVFWFLSA-N 443.504 2.196 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1Cc1nnn(C)n1 1690556521 ZPXSUWXQGHSCJC-UHFFFAOYSA-N 431.504 2.037 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1690578406 WTNMJTSXRPEXJA-CYBMUJFWSA-N 442.467 2.162 30 10 IEEE CC(C)N1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1692493713 WRKKADYULPRSMX-DQRAZIAOSA-N 441.580 2.068 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1692659493 GIXPKTMXQIIWSC-AWEZNQCLSA-N 431.928 2.078 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cncn2)cc1Br 1693114759 OUZDKGVRDJPAOQ-OAHLLOKOSA-N 443.309 2.037 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1695425705 QOXBQJNRXQEZLD-UHFFFAOYSA-N 431.500 2.396 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCCOCC3)n2Cc2ccc(C#N)o2)c1 1698293645 KNTLUBYTDMQGEY-UHFFFAOYSA-N 427.486 2.088 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2nccs2)c1 1705505667 REWDHXFFSHHPRV-UHFFFAOYSA-N 444.524 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](COC)OC 1705581534 DPIWOJVMFFGIKM-IBGZPJMESA-N 445.564 2.127 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1705666747 IPPPAPIXFYPWTD-KSFYIVLOSA-N 445.589 2.156 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1705672798 IDVMPCXREMVSGZ-AUUYWEPGSA-N 429.322 2.427 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1705792497 UTOWUOXVNKYTRG-QZTJIDSGSA-N 440.610 2.414 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1705795341 HUQDHRZCGVZXSJ-JXFKEZNVSA-N 442.564 2.261 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1705894880 NKIAOEMPVUPJNI-FUHWJXTLSA-N 428.581 2.227 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706111049 DRBAHKFVSXJAJA-MPJCZWRTSA-N 428.537 2.107 30 10 IEEE CC(C)OCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1706708756 GYQDVMFTNFUGNL-UHFFFAOYSA-N 437.548 2.024 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)C[C@H]1C 1710218713 IDLXVTWCIGNMPT-LVCYWYKZSA-N 442.564 2.309 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710825505 KPAHWKIHBKBLJS-KRWDZBQOSA-N 443.515 2.230 30 10 IEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1712713612 FIFXZGJJNDINHU-HKUYNNGSSA-N 444.561 2.047 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1712796762 INWUUBGRTCGHNC-MEUCICPISA-N 441.561 2.444 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1712886711 CKULPKWNGYKOJP-GOSISDBHSA-N 427.553 2.198 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N2CCOCC2)CCSC1 1722346792 AKFALLOISXERHV-HXUWFJFHSA-N 432.981 2.271 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722370581 OWSBINHOQUWCOZ-UYAOXDASSA-N 444.557 2.008 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(C)nc2ccccc21 1722370705 MWLORWCINYJUSK-UHFFFAOYSA-N 438.495 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCN(CC)CC1 1722379209 XPOYDPACFMXWEX-OAQYLSRUSA-N 429.572 2.163 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722428826 KSHREWGPQBYRJF-ZWKOTPCHSA-N 435.569 2.419 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1722502133 RJCUKUVVAKGPPI-LPXYKDPNSA-N 444.580 2.371 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1722532383 KMPITMCJHRWHRD-GCJKJVERSA-N 429.496 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@H](C)C1 1722725198 LRAODWBUCYXQRL-HOTGVXAUSA-N 432.550 2.009 30 10 IEEE CC(C)COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1723487282 AQPOGWDRYXYLHW-SFHVURJKSA-N 426.521 2.228 30 10 IEEE Cc1nc(CCn2c(N3CCC(C)(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1725504479 XWOFLZASFSLTRR-NRFANRHFSA-N 428.541 2.118 30 10 IEEE Cc1cc(C)n(-c2ccc(Cn3c([C@@H]4CCC(=O)N4)nnc3N(C)[C@H](C)CC#N)cn2)n1 1725865680 AKZCKXHMHAMSEG-QAPCUYQASA-N 433.520 2.213 30 10 IEEE Cn1nncc1Cn1c(-c2ccccc2Br)nnc1N1CC[C@](F)(C#N)C1 1729606373 GVZUZNUZDNTUKY-KRWDZBQOSA-N 431.273 2.326 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1729634011 WOIXEOAYAZOOKW-MRXNPFEDSA-N 428.537 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC[C@@H]1CCOC1 1740635359 VMNREIMPIDQFEJ-IBGZPJMESA-N 436.512 2.232 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC=CCO2)n1 1740689725 ZMECQYFTHHTWHX-NRFANRHFSA-N 447.543 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740761911 PUWPEFZZHUDDLI-UFYCRDLUSA-N 425.533 2.499 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740823233 ASOYYFPBMAMUPD-IAGOWNOFSA-N 447.502 2.422 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1740849926 AQRDCYCJHYHHBI-LJQANCHMSA-N 430.597 2.161 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1740874854 JEQKQQSQQJRNIF-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1740897318 BYEQWWTYIYMBOX-QGZVFWFLSA-N 435.532 2.212 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1740952792 NVPLVJWBVJBCLY-FQEVSTJZSA-N 446.559 2.239 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1746687152 WAPKMXVEOQLQJU-APWZRJJASA-N 425.480 2.484 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748815438 QKUZMISIIZXCBV-NRFANRHFSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1748817936 SVVUMEKGKWTPMH-FQEVSTJZSA-N 446.621 2.313 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1748824953 UTVOZWHNVHGQAA-IAGOWNOFSA-N 436.603 2.382 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1748986738 IZVNSSVFCYZQNR-YTTGMZPUSA-N 448.596 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCSC(F)(F)F)CC1 1749008555 CMQLMFYDESWWTB-UHFFFAOYSA-N 426.468 2.492 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749133964 SDONXBJWZWIIBI-KKVAFCGZSA-N 430.578 2.282 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749231965 AAZUTYFHPMUXSE-HXUWFJFHSA-N 426.565 2.015 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749659086 UJTKUHIFITVPSO-GJZGRUSLSA-N 442.589 2.101 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCSC)CC1=O 1749874254 PECFCYVSVXIXOB-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE N#CC1CCN(c2nnc(COc3ccccc3F)n2CC2(C(N)=O)CCOCC2)CC1 1750386382 GGAIHCWJFFPQOX-UHFFFAOYSA-N 442.495 2.018 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)C[C@@H](C)O1 1752388319 OTDBWFZLYFQBEZ-IAGOWNOFSA-N 431.562 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC 1760096400 LBKCMLSZEVKECH-OAHLLOKOSA-N 444.967 2.482 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cccnc1OCCOC 1760168773 PDOHOTQOJXJDGD-UHFFFAOYSA-N 435.484 2.254 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760185362 WJDHHCCUHBTJHW-FQEVSTJZSA-N 427.574 2.056 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760281835 YAJPBQLOYOZGPT-RBUKOAKNSA-N 441.557 2.182 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1760316109 MJQRJXFORJOKBM-KURKYZTESA-N 425.599 2.245 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1760336567 CAYXIVQIEUHIDO-GOSISDBHSA-N 441.561 2.212 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760357184 GGWLPRBCXKHHOB-GOSISDBHSA-N 432.594 2.462 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760373477 TUHZHMSQWXSNNN-QGZVFWFLSA-N 449.964 2.424 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760376842 GFQHXTQHIUWEJD-AWEZNQCLSA-N 427.933 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760519990 XADKSOCPHFXPGO-MOPGFXCFSA-N 441.532 2.412 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)cc1 1760531125 DKNYOGSPCQAIFB-OFNKIYASSA-N 439.516 2.272 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)Cc1cnn(C)c1C 1760552116 CFEQCPTVVNXDPN-UHFFFAOYSA-N 432.525 2.363 30 10 IEEE CC[C@@H](C)c1nnc(N(CC)Cc2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1763538381 XZDHZAQKUOGHNB-MEUCICPISA-N 426.525 2.078 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1766345206 AXCNVOQOOVIWEB-JTSKRJEESA-N 428.512 2.428 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)CC1 1767960998 HDRCKAYUWDFBJO-HNNXBMFYSA-N 430.534 2.369 30 10 IEEE CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1768582254 UUGMYISPCQOODA-ZTFGCOKTSA-N 447.561 2.333 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1768634558 RWSUPFSSWKGXDU-RBUKOAKNSA-N 429.546 2.115 30 10 IEEE COC[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)OC 1769246261 GJBKDHIKSHSHFR-NYHFZMIOSA-N 437.504 2.385 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccncc1Cl 1769315588 XOLUGQXPNFXVGZ-UHFFFAOYSA-N 439.907 2.398 30 10 IEEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)c4sccc4F)C3=O)CC2)CC1 1853742581 AOZZJSKOKXOFRJ-QGZVFWFLSA-N 432.521 2.102 30 10 IEEE N#Cc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC[C@@H](CF)C4)ccc32)cc1 1856340902 JAGGKAGOBYACKS-HNNXBMFYSA-N 427.457 2.268 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858319044 TUEZHSHQUJXGQU-GOSISDBHSA-N 433.555 2.423 30 10 IEEE C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(Cc3ccccc3)c(O)n2)CC1 1859430017 RLOLMRSMWMMSOR-QGZVFWFLSA-N 443.511 2.189 30 10 IEEE C=CCNC(=O)[C@@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614727 YBFUALIKGKKQAN-DZGCQCFKSA-N 439.965 2.242 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 1862416742 KBLNCISZHMMXIS-GOSISDBHSA-N 432.379 2.090 30 10 IEEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc1 1862629591 ZJFCPZAWAWYEJG-SFHVURJKSA-N 425.393 2.074 30 10 IEEE C#CCOc1cn(CCc2ccc(F)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870560295 PHYXAJFSGVBGIU-UHFFFAOYSA-N 447.514 2.354 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577995 KYLBWRVIRNUBOH-UHFFFAOYSA-N 432.916 2.173 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626164 PHFGPHJNJCOKDT-UHFFFAOYSA-N 445.506 2.399 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccn1C 1874431459 SNYCAPOKVWJQPR-FOKLQQMPSA-N 439.545 2.483 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1895865250 YFDPKWMRKATIJN-HRCADAONSA-N 427.542 2.190 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 1908277017 VPFPMBNKSJPACT-XUVXKRRUSA-N 428.533 2.247 30 10 IEEE COc1ccc(CNC(=O)COC(=O)C=Cc2ccc(OCC#N)c(OC)c2)cc1OC 2040417062 QAZCFKRYQLUJSW-UHFFFAOYSA-N 440.452 2.488 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1COC1 2124524123 OISSVSQHXOPVMO-SFHVURJKSA-N 446.353 2.142 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(C)(C)O 2131459239 JXUZBMBMSGZAMG-KRWDZBQOSA-N 448.369 2.266 30 10 IEEE CCN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@H]1CCS(=O)(=O)C1 2172776728 TVNMTENCNLCTEH-ZDUSSCGKSA-N 445.188 2.157 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229103072 SNWBIXDVFYDMPQ-HZPDHXFCSA-N 425.323 2.385 30 10 IEEE C#CCN(CCO)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229104734 BXCOFKOIJPQBTG-MRXNPFEDSA-N 425.323 2.339 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255627362 RNPBMQOUVRCLJM-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CO[C@](C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)COCc1ccccc1 2255825536 BDHIFQRTKDAQGO-JOCHJYFZSA-N 429.326 2.061 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255844566 YODWQTMJCBUDPW-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]2C1 2255861445 CEFSNMIHVGXBTL-HOTGVXAUSA-N 431.342 2.157 30 10 IEEE CC1(C)OB(c2cc(N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)ccc2N)OC1(C)C 2256033788 DORDHKNMWJTRCA-ZDUSSCGKSA-N 427.276 2.463 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)n1 2267119244 TUDKTGIZVQNSNO-DLBZAZTESA-N 440.353 2.228 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267127208 QAEROVXUZAVFSS-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CC[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1Cc1ccccc1 2267177445 NNQIKBYHRZNSRD-LJQANCHMSA-N 438.381 2.456 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267552939 WOZOJXWMJGPCNA-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE CCN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267880268 RNYHHXBIQWAIPU-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881134 XSKXVOGCGFHLDC-GASCZTMLSA-N 446.357 2.246 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268653082 KLAOHLKUKLSWQD-KSSFIOAISA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268715650 RKVBPMOIOFDGFS-MRXNPFEDSA-N 446.353 2.008 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2315683688 IVAQGDWCHUOBLK-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE C[C@@H](O)Cn1c(NN=CC(Br)=Cc2ccccc2)nc2c1c(O)nc(=O)n2C 2328610385 OTZOAMPFKUHQER-LLVKDONJSA-N 447.293 2.050 30 10 IEEE CCOc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OC 2329056403 WDEJZSADCPAULL-INIZCTEOSA-N 447.561 2.376 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2337203034 RTEQFJWVAZKNAE-SHTZXODSSA-N 448.373 2.143 30 10 IEEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 17223853 BIIBLWFLJVKEJT-UHFFFAOYSA-N 436.468 2.103 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@H](Cn2ccnc2[N+](=O)[O-])O[C@H]2CCCCO2)cc1 35827279 ADKHTOXGXAAZSE-RDJZCZTQSA-N 425.463 2.417 30 10 IEEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1coc3ccccc3c1=O)CC2 72157090 WKTFJWWPEYGTFY-SFHVURJKSA-N 426.469 2.267 30 10 IEEE COC(=O)[C@@H]1[C@H](O)C2=CC(=O)CC[C@]2(C)[C@]23O[C@@H]2C[C@]2(C)[C@H](CC[C@@]24CCC(=O)O4)[C@@H]13 256979528 DDHQRXOAZNEFKY-PFNSXNTGSA-N 430.497 2.095 30 10 IEEE in-vitro C[C@H](C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)n1cnc(C#N)n1 409769598 UTBRKYZOLQSCIP-BFUOFWGJSA-N 427.461 2.159 30 10 IEEE CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](C)Cc1ccc(OC)cc1 429904780 TZGPOYCQMYICNL-QGZVFWFLSA-N 446.511 2.625 30 10 IEEE Cn1ncc2c(N3CCN(C(=O)CN[C@@H](CCCC#N)c4ccccc4)CC3)ncnc21 433026699 HGHXNSOBZYXPDF-FQEVSTJZSA-N 432.532 2.037 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 443472584 CICORVZZEBOUOT-MRXNPFEDSA-N 428.352 2.196 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)nnc12 473271040 GHHLCHBJULDYJX-AZUAARDMSA-N 447.520 2.097 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 481046935 ARWNMXFQMCHLJK-AWEZNQCLSA-N 442.476 2.473 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)ccc1F 481286696 RIPUPJVSJWKMIE-UHFFFAOYSA-N 444.850 2.039 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2)c1 481809895 OQCOPPQDHOEMRW-GOSISDBHSA-N 436.516 2.081 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc21 488447338 VSSMKMUZEAFHTE-SFHVURJKSA-N 429.436 2.254 30 10 IEEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1scnc1C 489448859 NBIYBMXETPWBMJ-KRWDZBQOSA-N 433.603 2.371 30 10 IEEE Cn1ccnc1CN1CCC(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 501712916 HEPOTABEQMENCL-UHFFFAOYSA-N 434.544 2.381 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](COc2ccccc2)C1 508494921 RWOQYRPHEKQGLP-OAQYLSRUSA-N 444.499 2.391 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1ccc(Cl)cc1 509129483 WJRXVYCJHZYQCI-RXVVDRJESA-N 438.919 2.410 30 10 IEEE C[C@]1(C2CC2)NC(=O)N(c2cccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)c2)C1=O 518228753 XVZYVKJGRJYBEC-OAQYLSRUSA-N 442.472 2.401 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 522541592 OJPGGGHQJBDXHN-WBVHZDCISA-N 426.538 2.216 30 10 IEEE COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c1=O)O[C@@H](C)C2 522675868 YRWQHFRIRDJINC-ZDUSSCGKSA-N 436.533 2.449 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 525266035 BOEMSDFUELNKRR-UHFFFAOYSA-N 428.473 2.354 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCCO1 534602825 VRFWDCRBFOVQJD-QGZVFWFLSA-N 426.513 2.490 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 544890757 WCGOTKXHGPGTSD-QGZVFWFLSA-N 448.527 2.203 30 10 IEEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](CCCC#N)c1ccccc1 590476050 FKUUEOFTYYECQN-LJQANCHMSA-N 430.530 2.211 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 608866423 ODJFMUIFRYMBQO-QGZVFWFLSA-N 429.546 2.164 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1C 730143206 RZYRUAJIPUQJDD-IEBWSBKVSA-N 432.590 2.482 30 10 IEEE C[C@H](OC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 731729997 HVLZKYPOBYOWEK-LBPRGKRZSA-N 441.575 2.477 30 10 IEEE CC(C)OC(=O)[C@@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 736273779 OMQWGQPFAZDGIC-KRWDZBQOSA-N 435.546 2.228 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 745921161 WZHLASXSBIHONJ-AWEZNQCLSA-N 432.912 2.080 30 10 IEEE CCOC(=O)c1cc(NC(=O)NCc2ccc(OC)c(C#N)c2)cc(S(C)(=O)=O)c1 747337673 GDNUYZSQDHBIDO-UHFFFAOYSA-N 431.470 2.469 30 10 IEEE C#CCN(C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 769533334 FPQXWGIVPHEMDN-SJORKVTESA-N 431.480 2.140 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 771278822 ZKCSTBXLOQWGJS-CQSZACIVSA-N 437.518 2.168 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCN(C(C)=O)CC4)cc3)cc2C1=O 786256640 IBHOLBUBNQWGND-UHFFFAOYSA-N 446.507 2.067 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 789035860 CMUYZMNKDABLLN-IBGZPJMESA-N 429.908 2.133 30 10 IEEE C=CC[C@@]1(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CCCN1C(=O)OC(C)(C)C 790651845 RACZHMLEGCZAHC-FQEVSTJZSA-N 441.525 2.435 30 10 IEEE COc1cc(OC)cc(S(=O)(=O)NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 802817552 IDXSXZVAQVDLOI-UHFFFAOYSA-N 447.488 2.436 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)cc1OC 1084001292 STSDOCZKVPDCSH-UHFFFAOYSA-N 444.473 2.410 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)cc3OC)n2)s1 1084309766 DHKOKXXHHCNQOU-UHFFFAOYSA-N 448.534 2.413 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)o1 1138108194 KARQOLUQXUERHS-DZGCQCFKSA-N 427.461 2.163 30 10 IEEE C[C@@H](CC(=O)NCCc1nsc2ccccc12)/N=C1/NS(=O)(=O)c2ccccc21 1148894582 JJGOPOYJPUUJLM-ZDUSSCGKSA-N 428.539 2.472 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1158345234 GWLYTDMGGCTSDV-AEFFLSMTSA-N 447.469 2.478 30 10 IEEE CCOC(=O)[C@H]1c2ccoc2CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1174562553 FJVBFRJRAUPBFW-DYESRHJHSA-N 442.541 2.212 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1 1177235194 QHMMYXHVEDAMGX-HTAPYJJXSA-N 449.573 2.480 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c1 1194240469 JQCGCBUYXQNDKK-DEOSSOPVSA-N 445.567 2.208 30 10 IEEE C#CCN(C(=O)NCCC(C)(C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1251961217 WADVLZSSSHLZLG-UHFFFAOYSA-N 429.583 2.244 30 10 IEEE Cn1ccc(N2CCC[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)n1 1265473346 OXGBDUURVYNYNQ-HZPDHXFCSA-N 432.525 2.009 30 10 IEEE N#CCCN(C(=O)CCC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1ccccc1 1280309782 GTZNHBUFKRHSLH-HXUWFJFHSA-N 425.510 2.499 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286394114 NGXUJOGZOVOWSW-ZACQAIPSSA-N 440.635 2.186 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1286435874 MDCPCMYGDSDANX-UHFFFAOYSA-N 449.490 2.262 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1cccc(S(=O)(=O)NC)c1 1286449206 OBDUQOOJKYZGPI-UHFFFAOYSA-N 429.571 2.346 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286509289 YHMSHZFFIRPPGI-UHFFFAOYSA-N 441.605 2.188 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286520092 WHCIZCSAPJSSFB-GBXCKJPGSA-N 435.576 2.275 30 10 IEEE C=C(Br)Cn1c(N(C)CCCC(=O)NC)nnc1[C@@]1(OC(C)C)CCOC1 1286548151 UHZJCWAMMUKVBP-GOSISDBHSA-N 444.374 2.190 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccn(CC)c1=O 1286719185 XFZOEKIXTIILQG-UHFFFAOYSA-N 427.530 2.201 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1286757412 NGRKYBJXYPDQQE-MRXNPFEDSA-N 432.594 2.265 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1286765539 FPJWMGJPZDZBPG-KRWDZBQOSA-N 436.520 2.023 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1286788369 VJWBXYDHHXGFJF-INIZCTEOSA-N 426.477 2.161 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1286962462 ZWDFKFOXDPNMSY-FRQCXROJSA-N 446.577 2.216 30 10 IEEE C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)N(C)C1CC1 1288607408 QZTRAKXNRGIWTG-XJKSGUPXSA-N 448.369 2.258 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1C 1289830405 ZWYNTSILDCVYDS-RTBURBONSA-N 438.532 2.117 30 10 IEEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1294229272 MMDIQTQCYJEMHU-BGYRXZFFSA-N 426.521 2.022 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1297795189 IMSVGMZGNRRRMB-SSEXGKCCSA-N 431.562 2.217 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1300275088 PTUWFVLATVVHCA-CABCVRRESA-N 425.468 2.226 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1300287069 SUYPRNAQHGBPNW-DJJJIMSYSA-N 436.329 2.371 30 10 IEEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300371881 YOFDXHBXDCDQHO-UHFFFAOYSA-N 428.581 2.389 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300498400 JZQIOKVFVTZFBV-UXHICEINSA-N 430.574 2.229 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1300578763 OPFPCSKZFIGULD-SFHVURJKSA-N 444.532 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300700257 NLUUZMUYLLOCOI-OALUTQOASA-N 446.596 2.183 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301044723 MZRLRONCPIQZGQ-UHFFFAOYSA-N 444.923 2.151 30 10 IEEE N#Cc1cn(CCNC(=O)c2cc3ccccc3n2Cc2ccccc2F)c(=O)nc1O 1301210725 DWRDKSQXNYXCGB-UHFFFAOYSA-N 431.427 2.393 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1301370506 FOEDHHQDTONUDB-XUVXKRRUSA-N 430.597 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2COCCO2)C1 1301566375 POKFMWYWYZAUNN-QZTJIDSGSA-N 430.505 2.062 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1301584849 FIEDMIACJGRNRU-SFHVURJKSA-N 445.589 2.480 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cscn2)CC1 1301606120 JLRGQWBQKIEXDD-UHFFFAOYSA-N 428.591 2.433 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1302409298 NFKSFCMZFNITMA-YADARESESA-N 449.559 2.036 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC[C@@H](CC#N)C1 1307922873 CYTFYKPHUGATTO-SFHVURJKSA-N 447.605 2.491 30 10 IEEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)cn1 1313107269 HWJPYMUEFKMOIX-ROTAYESASA-N 440.573 2.259 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 1313281314 FRSFQHAUUCHAJH-UHFFFAOYSA-N 447.605 2.026 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC(C)(C)NC(=O)OC(C)(C)C 1316099739 BUBXLTCOBAYLML-UHFFFAOYSA-N 444.540 2.405 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC2CCN(c3ccccc3C#N)CC2)=NO1 1332161371 PSRVRBDFEMIQBR-KRWDZBQOSA-N 427.505 2.313 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOCC1(C)C 1358989506 FJBOMBCSYJOSOQ-UHFFFAOYSA-N 435.528 2.248 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359026460 YUHPSJMNXGSOMT-NZQKXSOJSA-N 425.533 2.078 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1359257909 AGKULGNYPVZLSQ-FVRICEFQSA-N 425.533 2.352 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1359304487 ZCHXGMWNQCUFLF-OAQYLSRUSA-N 449.559 2.490 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(C)(=O)=O)C1 1359316700 URWQJRUPYGHDLP-HNNXBMFYSA-N 440.953 2.433 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 1359836262 UUUASOAJWVQIQK-UHFFFAOYSA-N 442.520 2.353 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1436172868 SVXDWAOYACOEFH-KRWDZBQOSA-N 445.383 2.100 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 1452142956 FCEYBBDAWOYNAZ-HNNXBMFYSA-N 435.546 2.195 30 10 IEEE C#CCN(CC(=O)N[C@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1453812242 KPRYTRWVAYSDHW-ZWKOTPCHSA-N 438.908 2.292 30 10 IEEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OC 1455841256 SGJODDHPUZWMNG-MDZRGWNJSA-N 438.546 2.112 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1456885773 QIVYQTHDVSLRLQ-MRXNPFEDSA-N 430.505 2.271 30 10 IEEE Cc1c(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)sc2ccc(C#N)cc12 1474926560 GIXSGLHSPWIZJJ-UHFFFAOYSA-N 428.539 2.456 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1500642412 QTLOPGRJBCZFQV-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)cn1 1503655397 ADQNVRXWJBXDPX-UHFFFAOYSA-N 435.532 2.499 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1504935216 DAMUJUCSUMBZNA-UHFFFAOYSA-N 434.500 2.437 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1505136074 ACYSYSRBXGXSOO-WMZOPIPTSA-N 432.525 2.037 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCSCCCO)cc1 1505315500 MZMTWXHGWDPREN-IRXDYDNUSA-N 429.502 2.046 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C1OCCO1 1507512337 GMDPZNPMICLFGN-MRXNPFEDSA-N 432.484 2.477 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507580040 PZACUMLYJQCKIH-QFIPXVFZSA-N 425.489 2.407 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507609025 VYZXPJAJGOJBJM-MJGOQNOKSA-N 443.573 2.227 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@]1(N2CCOCC2)CCSC1 1507614912 ISHGZYRIDWOFIU-HSZRJFAPSA-N 425.602 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507672495 DOZQTIUQMPTRCQ-HXUWFJFHSA-N 440.569 2.453 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507755846 IYAUFNTZEONCCP-KRWDZBQOSA-N 436.578 2.388 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1507768146 LZCAHODKAYZCQT-DNVCBOLYSA-N 426.487 2.496 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1507770369 NFZZYKSZKCOXQN-JOCHJYFZSA-N 442.585 2.109 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CO)CC1 1508078064 SQLQTEUCMIUWQW-UHFFFAOYSA-N 434.338 2.219 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1(=O)=O 1509943654 FEVWCRCUJDUFJN-HOCLYGCPSA-N 431.518 2.379 30 10 IEEE CCc1cnc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1513718540 BBFWQXNFMJHYON-YWZLYKJASA-N 432.550 2.115 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1516877353 DKVZYFRPEBCGES-PBYQXAPXSA-N 431.562 2.359 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)c3cnc4sc(C)c(C)n4c3=O)c2C#N)C1 1529937659 AXRCCGBGGDCGIW-UHFFFAOYSA-N 427.511 2.463 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1537399856 PMHQMHYPGUAJHU-JLTOFOAXSA-N 432.318 2.478 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539078765 GRVKYQBQGUBFPB-LJQANCHMSA-N 432.594 2.347 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539124451 OYYBRNWAYIYYIN-UHFFFAOYSA-N 447.518 2.242 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1539190311 HOGPYWZDCOUTGA-OFVILXPXSA-N 436.604 2.263 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539215609 GYKHFRZEKPBMKM-SONCPKABSA-N 436.541 2.019 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(NC(C)=O)cc2)CC1 1539453130 DDLJZJSIUDIRHW-UHFFFAOYSA-N 443.555 2.220 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539520766 WZTOPSYWZRBVGG-UHFFFAOYSA-N 431.537 2.074 30 10 IEEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 1539913294 CFFZXPKVJXOEHI-AWEZNQCLSA-N 440.443 2.146 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1539946697 CIWQZJLYGSZZTD-UHFFFAOYSA-N 427.553 2.489 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1540870578 QPPXGPAYYYRVAS-UHFFFAOYSA-N 439.564 2.358 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC=C)C1CC1 1540871593 PDYMRLSXJGHIMZ-KRWDZBQOSA-N 446.552 2.044 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1546604668 RFIHOIBGZDGIFE-ILYIUGIZSA-N 435.532 2.415 30 10 IEEE CC[S@@](=O)CCn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552442153 PYSZODYVLGZDTD-SSEXGKCCSA-N 442.570 2.234 30 10 IEEE Cn1c(=O)n(C)c2cc(NC(=O)COc3ccc(C#N)c(Br)c3)c(O)cc21 1556869616 MWBHLRSEFZVJIS-UHFFFAOYSA-N 431.246 2.234 30 10 IEEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1557364851 ZSKUEMLGDLWWIV-HNNXBMFYSA-N 433.357 2.285 30 10 IEEE CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](C)C(=O)OC(C)(C)C 1557479189 MKFJQMWVBKQOLC-RHSMWYFYSA-N 428.489 2.342 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(NC(=O)COc2cccc(Br)c2C#N)CCOC1 1585619682 WKOOLBGSOARGCE-GOSISDBHSA-N 425.279 2.317 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCCN2CCOCC2)c1 1587692390 DBAPQIGPDIIQCR-UHFFFAOYSA-N 436.560 2.324 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1587701743 JJZPXSKYUHTSIC-LJQANCHMSA-N 425.537 2.112 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588029739 LKXBAXCAVZUJBT-OXQOHEQNSA-N 443.573 2.425 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588040555 OJRRZKSMTXUNKS-RBUKOAKNSA-N 445.589 2.348 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588059147 JLXQUPFANZHCHH-QGZVFWFLSA-N 444.605 2.003 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588065384 XVKCHUKEZQMWKG-GUDVDZBRSA-N 431.537 2.029 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588074820 SPZBFVZFAUFQOG-ZWKOTPCHSA-N 436.578 2.106 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3)[C@@H]2C1 1588148803 VCYXXAJYGVXKDY-OTWHNJEPSA-N 440.500 2.142 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1589216106 JULKFZKKYFXWPT-ZRCGQRJVSA-N 441.601 2.475 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1589305486 RLDYEIFVJRTCBN-LSDHHAIUSA-N 442.358 2.112 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1593763106 ADXQZPGFHRLMLQ-LJQANCHMSA-N 440.548 2.314 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1593841208 WBNGNPXELNATPA-UHFFFAOYSA-N 446.983 2.145 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1594498106 QHKXCVIROJENER-CBGDNZLLSA-N 438.594 2.167 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1595161537 DBIRVMDYPFBSBH-UHFFFAOYSA-N 436.603 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOCC1 1595760753 RVWUAGRWXMEVLC-SFHVURJKSA-N 434.562 2.472 30 10 IEEE C=CCN(C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1597170232 HEDDASNNRKQDSU-HZPDHXFCSA-N 430.567 2.340 30 10 IEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)CC1=O 1607566564 CZMPXULYGOQMEM-UHFFFAOYSA-N 440.548 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc21 1616347288 PEZUQILNKXSASL-ZJYNUGOYSA-N 426.473 2.168 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1616640690 BERIROWFTUZITH-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3cn4c(n3)SCC4)C2)C1 1616919521 KTRURDDGNTUOTM-DBWCEAHUSA-N 431.562 2.434 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(CCc3ccc(C#N)cc3)CC2)CC1 1620435126 OUBPTEKVFZATAC-UHFFFAOYSA-N 427.549 2.391 30 10 IEEE CC1(N2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1624029265 XORBMOIAERHFGW-KRWDZBQOSA-N 430.936 2.278 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2ccsc2S1(=O)=O 1625750892 RAVQUOPMDMSUFN-BONVTDFDSA-N 442.515 2.221 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)c(I)c1 1626255036 WRQOJDBJWCTLIG-DTWKUNHWSA-N 437.159 2.416 30 10 IEEE N#C[C@]12CN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1627137137 TTXLNBFFRDBZEL-SUMWQHHRSA-N 425.388 2.371 30 10 IEEE C=CCOc1ccccc1CN(C(=O)[C@H]1OCCN(C)C1=O)c1ccc2c(c1)OCCO2 1627421679 VTPOBISZSPEIQX-QFIPXVFZSA-N 438.480 2.413 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)c1cccc(C#CCO)c1 1627650002 VSIFULIYFBKETE-INIZCTEOSA-N 432.314 2.383 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1627827333 DBRQWMIFMAEKRO-AREMUKBSSA-N 441.347 2.166 30 10 IEEE C=C[C@](C)(CCOC)C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1630603996 UPKICVPUQKCJLD-XMMPIXPASA-N 428.577 2.297 30 10 IEEE N#Cc1cn(CCNC(=O)c2cc(Br)cc(C(F)(F)F)c2)c(=O)nc1O 1633549988 HKDNQAHREUUKOB-UHFFFAOYSA-N 431.168 2.032 30 10 IEEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)C2CCOCC2)CCCN1C(=O)OC(C)(C)C 1635924072 HCEMUFLOMMMBKB-FQEVSTJZSA-N 430.567 2.042 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 1636794727 QEFJILLVRPPWSE-VCASGEJDSA-N 446.548 2.399 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C1CC1)[C@H]1CCCOC1 1639928795 HYVAYHYLCRRACR-XKGZKEIXSA-N 433.574 2.461 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@]2(CCOC2)Oc2ccccc21 1640914533 WDDICNFQLBUHQV-OHEPNIRZSA-N 441.509 2.024 30 10 IEEE CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1C(C)(C)C 1643637435 SVBBTAINKOPXDO-LJQANCHMSA-N 440.548 2.117 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1644583247 KWBQVDVEWQISSO-FQEVSTJZSA-N 445.516 2.290 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1654852423 NNVOJOLAVXIUMX-CSMYWGQOSA-N 438.468 2.216 30 10 IEEE CN(CCC#N)C(=O)CCN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1655910767 VBFNYWWPJZRUQZ-UHFFFAOYSA-N 439.557 2.453 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCC3CCN(C4CCOCC4)CC3)C2)nc1 1674311353 JMYZZSKUPCBHKI-FQEVSTJZSA-N 426.565 2.430 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)CC2)nc1 1680367199 DFVWQCIXOMIIHW-NGICGMGXSA-N 432.546 2.254 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1689948234 TVIKZASJNCVYDD-XMMPIXPASA-N 439.560 2.273 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993248 ZCWNOVUYAWNDFC-NHCUHLMSSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1689998807 XCDIFGXYLZSONG-AZUAARDMSA-N 444.557 2.203 30 10 IEEE C=CCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653388 OGLKWZMYANEMFG-GASCZTMLSA-N 432.525 2.314 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1 1690672152 JWXDSDFZZCAYLU-QGZVFWFLSA-N 448.568 2.269 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690676208 SPQJIXOQBCUWDD-XLIONFOSSA-N 441.532 2.173 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)C1 1690697552 XNQSAFOQGBVPCY-KBPBESRZSA-N 431.566 2.208 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690715958 YSFKEGMWMKFQCE-FUHIMQAGSA-N 426.583 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)C(C)C)CC1 1690715968 YWCRRKYLSVMCJS-KRWDZBQOSA-N 425.599 2.087 30 10 IEEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1692271552 HMWJFBRLGPTNIW-GCJKJVERSA-N 443.573 2.239 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1697044553 FVUBQYZHAHYNQY-ZQHDKMAOSA-N 429.546 2.363 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697203094 OSRUXOZYMPPIES-LSGABVIPSA-N 428.537 2.467 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)C1 1698099448 OARIUKAHBVEVAR-CVEARBPZSA-N 428.537 2.456 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1698492587 DNKOFCXUFJYMHD-INIZCTEOSA-N 445.405 2.453 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(NC(N)=O)cc2)CCO1 1698493922 QKDIBWJKPJWKOH-MRXNPFEDSA-N 438.879 2.261 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C 1705474058 BKCFXDAIWNVZHD-HNNXBMFYSA-N 444.967 2.482 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705517179 QCBCQBGAKHBCSB-MOPGFXCFSA-N 445.593 2.034 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566391 NMVCRWSGYUBNRH-AABGKKOBSA-N 449.621 2.021 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1705625133 XVMWNIXYYPBGLU-BGYRXZFFSA-N 436.560 2.402 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705657809 RUQHCOYWXSGFSG-KRWDZBQOSA-N 447.572 2.027 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCOCC1 1705866311 MSHHDSGACXLEAM-UHFFFAOYSA-N 441.561 2.182 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC(=O)N2)C1 1705920785 FCYDOPNWQOOYPF-MSOLQXFVSA-N 441.532 2.412 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(=O)NC)C1 1705921144 MFWLBJOTFXGLCN-QGZVFWFLSA-N 441.532 2.270 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOCC2(C)C)CCOC1 1706660361 ICECZCHIWOYEGO-XMSQKQJNSA-N 434.585 2.168 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1(C)C 1712071329 GGNFPTGMIQEEPR-WMZOPIPTSA-N 429.546 2.113 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2COCCO2)CCO1 1712883527 RCSWTMLWWVQVHG-IRXDYDNUSA-N 435.431 2.081 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722374596 YANLKMMWQMMBSY-WZONZLPQSA-N 445.564 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nnnn1CC1CC1 1722391401 LZOVQXCFIKOPAF-QGZVFWFLSA-N 448.506 2.465 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722412241 GRYVNUBIYWYSGM-ICSRJNTNSA-N 436.539 2.070 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(CC)CCOCC1 1722446625 FZCWTNKFJVEIAZ-UHFFFAOYSA-N 429.521 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2CCN(c3ccncc3)CC2)CC1 1722448018 UFFYCNKQDPUAFH-UHFFFAOYSA-N 435.576 2.118 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1722468989 RIOFECZFVBZJSJ-WWPVKYPJSA-N 429.565 2.181 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1722537581 OLSRMXXKPPZZAK-GOSISDBHSA-N 434.537 2.475 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722605309 CJAXAUDNRZDZCH-SFHVURJKSA-N 435.536 2.152 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C)C1CC1 1722645475 NYLRBDVEYZVELT-MRXNPFEDSA-N 432.594 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C)C1 1722689676 WFPQESFAADNPDY-HNNXBMFYSA-N 445.593 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722698329 YQBYXHIHZIQPPH-HNNXBMFYSA-N 426.550 2.130 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1722701206 JKOPOUDQTCISOV-MRXNPFEDSA-N 436.516 2.042 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC(F)(F)C1 1723928515 HLHKFTKFPFMXSP-UKRRQHHQSA-N 430.525 2.454 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)c2ccccc2)cn1 1729572672 CMOLUAASCWMJOT-OAQYLSRUSA-N 439.545 2.283 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)C[C@@H]1C 1729791795 NXWVIXUVOLQINH-INIZCTEOSA-N 434.504 2.299 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(F)(F)F 1729851503 AIGLSJFGHBMHLU-BBRMVZONSA-N 436.438 2.451 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1730850676 JCCIRQZFBUQJRU-CVEARBPZSA-N 442.520 2.010 30 10 IEEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740579704 VJOALHJKLXIWCR-HFMPRLQTSA-N 445.608 2.279 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740617863 YDCKIKBHXILMAY-KFWWJZLASA-N 436.500 2.386 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 1740672396 FKYLTTJFPGPYFC-UHFFFAOYSA-N 434.592 2.002 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1740725922 RNYJLRLSNAYFQJ-FGZHOGPDSA-N 431.537 2.153 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740761914 PUWPEFZZHUDDLI-ZCNNSNEGSA-N 425.533 2.499 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1748698698 WPISVXFFTRDZMV-QUCCMNQESA-N 430.597 2.157 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1748843837 KFDPVNROFCMMLV-VXKWHMMOSA-N 446.555 2.148 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CC)CC1 1748971528 UHHPDJMVVZOXRK-QFIPXVFZSA-N 449.603 2.387 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)OC 1749327159 FNFHCWSIQYRUBT-HZPDHXFCSA-N 425.411 2.246 30 10 IEEE C=CCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440283 WKHAXKIBAVZOMP-REWPJTCUSA-N 433.597 2.443 30 10 IEEE COC[C@H]1CCCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749467876 KWNGPJUZNLXUDR-NXDJFEHLSA-N 430.553 2.355 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncn(C)n1 1749531078 GPYYLABVMHJFQE-QHCPKHFHSA-N 448.531 2.171 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCC2)C1 1749676442 QHTOOBIHYAGYOT-GOSISDBHSA-N 429.594 2.001 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749689181 AJVZOZHUJIUMHR-LJQANCHMSA-N 436.516 2.228 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1760118159 ZEDDVTKNNPJTTM-IRXDYDNUSA-N 445.564 2.426 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760182878 KQNSPLLXDGKXSO-INIZCTEOSA-N 429.502 2.126 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1760183959 FNMNJHVNOGDNGU-IRXDYDNUSA-N 447.630 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)F 1760211886 NPTJYUVETUAWGO-UHFFFAOYSA-N 437.454 2.179 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1ccnc1C 1760230023 NYKUCQOPNRRVJY-UHFFFAOYSA-N 430.520 2.366 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760276471 FWQKERSSEFOLQG-KRWDZBQOSA-N 449.602 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760321233 CZEQNZAMIORVQQ-HJNYFJLDSA-N 438.576 2.170 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1760373778 BSRLXKRFDVHHKH-STQMWFEESA-N 444.945 2.050 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2OC)CC1 1760397418 SMKXNQLOHYYHJE-OAHLLOKOSA-N 449.577 2.356 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OCCOC)C1 1760528567 GTUZLAZGADJJGH-NLWGTHIKSA-N 449.596 2.131 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@@H]2C)cc1 1760529255 BGOIBYHBERVVLC-FUHWJXTLSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760551018 QUVUWDVCOYIEAX-DOTOQJQBSA-N 441.598 2.317 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H](C)O1 1763577763 CVBXIDXQXXNEOE-ZBFHGGJFSA-N 448.474 2.114 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763932665 DYFNNIIKCSSEOU-QGZVFWFLSA-N 447.547 2.171 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1OCCC1(C)C 1766408171 VKNYZFZVFYTTFS-GOSISDBHSA-N 425.537 2.223 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)c1ccc(F)cc1 1768112494 FRTHYXSNAJVYHF-QGPMSJSTSA-N 435.525 2.445 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1=O 1769053920 HSFUGVYMCFRZPR-GOTSBHOMSA-N 433.516 2.337 30 10 IEEE CO[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1769648156 YKGFFHVJASYHIA-GOSISDBHSA-N 434.504 2.331 30 10 IEEE COC[C@H](Cn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1770776205 KQDJZDPZTZFBRF-SFHVURJKSA-N 426.521 2.207 30 10 IEEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1771233162 RTZCPUGZVWNTOQ-NQIIRXRSSA-N 433.553 2.472 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(OC)CCC(C)CC1 1771304957 OIDQEUZTLYJJAG-LPPHBEDPSA-N 433.553 2.326 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c(CC3CC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1771342915 FQKIEQGUKNGYRM-HXUWFJFHSA-N 433.509 2.155 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCCOC(F)F)cc1 1771535166 ZDZAIUHQSBIUFG-NVXWUHKLSA-N 446.458 2.073 30 10 IEEE CCCc1noc(-c2ccc(-n3ncc(C(=O)N4CCN(CCC#N)CC4)c3C)nc2)n1 1848464342 RMSZOVMDIJGLDK-UHFFFAOYSA-N 434.504 2.250 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CCO1 1848536600 YPJJMCOPOVYEKB-CQSZACIVSA-N 439.287 2.381 30 10 IEEE C=CCN1C[C@@H](C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)CC1=O 1848964673 ZTDMFYWIUPMKLA-KRWDZBQOSA-N 428.558 2.386 30 10 IEEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1 1849766605 CAXRRKIFEMWMGZ-GOSISDBHSA-N 446.916 2.050 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1852288712 MYRJHFATADJHRY-FQEVSTJZSA-N 442.516 2.199 30 10 IEEE N#Cc1cnn(-c2ncccc2C(F)(F)F)c1NC(=O)[C@H]1CC(=O)N(C2CCOCC2)C1 1852497841 WBKIWOFOMOPQHX-LBPRGKRZSA-N 448.405 2.124 30 10 IEEE N#Cc1cccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC[C@@H](CF)C4)ccc32)c1 1856360039 BSGWSLMAQFQECI-HNNXBMFYSA-N 427.457 2.268 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@H]1CCN(C2CC2)C1=O 1857071832 UQCGIQGSYCMUON-SFHVURJKSA-N 428.920 2.232 30 10 IEEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)CCCS(=O)(=O)c3ccccc3)C2)CC1 1857216307 GSEIVWXSFODKLV-IBGZPJMESA-N 431.558 2.241 30 10 IEEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862627720 RHGNEXUDRIHAFE-FQEVSTJZSA-N 449.419 2.371 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(O)c1 1862736069 UPLNGSANAQYWRF-SFHVURJKSA-N 425.397 2.015 30 10 IEEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868268833 YDCJOWLGCXBAGW-UHFFFAOYSA-N 449.559 2.025 30 10 IEEE CCCN1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782881 MKLKQHNFYCGLCT-PKOBYXMFSA-N 431.606 2.084 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1889869825 IOFCLHDYIKSLSQ-SFHVURJKSA-N 445.507 2.320 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2011471249 LRNKJLSYDAYUCG-PMPSAXMXSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2063391935 BHEJHKFSJRIJTA-AYSMAOOMSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2124516351 RHENYDDQVMAXGJ-PEBXRYMYSA-N 444.341 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(Br)c(C#N)c1 2141244252 NFMUXPFUQWRFBR-ZDUSSCGKSA-N 425.283 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(c3ncc(Br)cc3C#N)CCN2C1=O 2174819904 RDNGUFHLVQREHO-ZIAGYGMSSA-N 436.310 2.030 30 10 IEEE Cc1cnc(N2CCN(CCNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2232308077 UAJHTHRIINMAIV-UHFFFAOYSA-N 446.401 2.336 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247919375 QOZMASWFGNKZPM-MPBGBICISA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2248405599 VRFVTHZGYSIKQF-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2255617209 BLAKFQJXXYDELG-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255657289 MYNUGSJWKJHPOI-IBGZPJMESA-N 425.338 2.435 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)C1 2255821195 XVJZVVQTNWUZID-UHFFFAOYSA-N 431.342 2.471 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256620275 GSNHFJDGBXHQPL-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1 2266977567 XVXLGIHYYHACIR-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094758 APDGVRSGGMMAAK-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127326 IHJOYXURNBBNFS-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267140152 AQQKGHSYWONKKA-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267142404 TUGIETWDWWODRY-GOEBONIOSA-N 446.357 2.180 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2267181442 SIZBKGNBBJVAHC-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CCn1cc(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2267185389 URIOCHDLPLVVCZ-KOSHJBKYSA-N 436.365 2.207 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)n1 2267505171 DLIWMGYXUNYNEJ-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CCC2 2267515400 NXEOJLQWIZWNQC-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)n1 2267549427 MATHZAFGUQUMAB-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870482 FAEXTVWLMHJEDH-UHFFFAOYSA-N 441.337 2.081 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268637471 MXMVTEFTBPAEMA-RVKKMQEKSA-N 448.369 2.437 30 10 IEEE N#Cc1ccc(Cl)cc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270501689 WQXNGGSVPXBRPJ-INIZCTEOSA-N 437.861 2.333 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2CC[C@@H]1[C@H]2NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298380248 FLGCKTVCXNNNFL-OAGGEKHMSA-N 442.387 2.491 30 10 IEEE CCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 2314435745 HWGNKGYMAAMUTN-UHFFFAOYSA-N 445.614 2.319 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2CCN(C(=O)C(F)(F)F)CC2)[nH]1 2315391823 HXNJLJNGILMBEP-UHFFFAOYSA-N 427.276 2.324 30 10 IEEE Cc1ccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155772 PSJYDYLLCULFGL-WTOYTKOKSA-N 445.519 2.356 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2337205860 FAHZQKFOFRFDKD-CQSZACIVSA-N 448.373 2.095 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367791633 YJYXZLYZTAMZMS-ZJOUEHCJSA-N 434.558 2.101 30 10 IEEE COc1ccc(CN2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)c(OC)c1OC 29801809 DEFKTTUCALIGNB-UHFFFAOYSA-N 430.549 2.173 30 10 IEEE Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccccc2[N+](=O)[O-])n1N 59884613 URPBVJZAGWTNFT-KEBDBYFISA-N 426.462 2.385 30 10 IEEE COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=N)N/N=C(\C)c3ccc(O)cc3)C2=O)cc1 100279212 SNZKQDRZFCNSKO-UXHMZNKVSA-N 440.481 2.492 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 438867790 NQTRFSHBGLLJOE-IBGZPJMESA-N 441.557 2.471 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(Nc2nc(C)cs2)CC1 442556386 MCPDIVUNHQCZBL-UHFFFAOYSA-N 443.529 2.390 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1Cl 443414409 ILSGTRSHMUNYFG-UHFFFAOYSA-N 431.861 2.110 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCc2c(Cl)cccc2C1 443548282 CMLUCHFUQBXHPY-INIZCTEOSA-N 439.951 2.280 30 10 IEEE Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472673248 UIZPDPKSQNYPTG-UHFFFAOYSA-N 430.512 2.330 30 10 IEEE COc1cccc(-c2cc(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)n(C)n2)c1 477080223 HMVDSMCZQDWNBF-UHFFFAOYSA-N 439.497 2.458 30 10 IEEE N#Cc1ccc(OCCNC(=O)NC[C@@H](O)COc2ccccc2Br)cc1 486092052 HDIPOJBFBBELFW-OAHLLOKOSA-N 434.290 2.439 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1S(=O)(=O)NCC#N 497457311 BONOPAQFFKLRLE-QUCCMNQESA-N 448.495 2.250 30 10 IEEE CCN1CCN(Cc2ccccc2CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 500624632 APFYNNDQTWWPFQ-UHFFFAOYSA-N 447.587 2.123 30 10 IEEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 507479311 OYISUHRWNIRNKN-UHFFFAOYSA-N 431.543 2.158 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508848734 OKPJZFPWMFTJAK-QGZVFWFLSA-N 429.496 2.257 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c1 523652444 XOBGXFRJXUFZDN-LJQANCHMSA-N 438.549 2.360 30 10 IEEE COC(=O)[C@@H](CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)Cc1cccc(F)c1 526994855 USOULPOHOGWCKY-QGZVFWFLSA-N 428.464 2.358 30 10 IEEE CC(C)CN(C(=O)CNc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCS(=O)(=O)C1 542004447 IUQICGXMUNPPCX-INIZCTEOSA-N 449.964 2.481 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)cc2)nc1 545323138 YNURJTZLJYFUBJ-UHFFFAOYSA-N 426.498 2.432 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 549272352 DETGPANXAGQBGV-IBGZPJMESA-N 431.562 2.391 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCCCO3)CC2)c1 555503273 TUUFKOWZHLULPL-NRFANRHFSA-N 444.543 2.426 30 10 IEEE N#Cc1ccc(OC2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCOC3)CC2)cc1 559226790 ZOWXYWRNGRWMKN-RXVVDRJESA-N 439.516 2.322 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c[nH]c2ccccc12 574963161 UDLRZNIUCFXVDZ-LJQANCHMSA-N 444.561 2.305 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 580130727 IQGYIMIZSPHRNM-RTBURBONSA-N 431.562 2.009 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 604001476 GUWWDHJTEHZUCP-UHFFFAOYSA-N 434.546 2.252 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(C#N)cc1F 609252444 RGSVXSCPUHCJCM-UHFFFAOYSA-N 448.476 2.049 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)cc1 612193495 OKHYROOITQFSCM-HXUWFJFHSA-N 446.528 2.483 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@](F)(C#N)C2)C1=O 616089434 WQNJFAAHJZQXLI-JLHGSKIFSA-N 430.480 2.317 30 10 IEEE Cc1noc(CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)n1 726271625 WJRILFXIEICEIO-ULJHMMPZSA-N 434.522 2.335 30 10 IEEE C[C@H](CN1CCN(C)CC1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 730143811 VUJRSPFORBDNEI-DNVCBOLYSA-N 447.580 2.062 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n([C@H](C)c3ccccc3)c2=O)cn1 735069106 QBMQOFFNKXGMOZ-QGZVFWFLSA-N 449.580 2.153 30 10 IEEE C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCN1C(=O)Cc1cccc(Cl)c1 742424768 FBHHMFGBESETDX-CQSZACIVSA-N 432.933 2.139 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)cc1 744627198 UQVXZPXVVOWMEB-QUCCMNQESA-N 432.542 2.182 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 745061479 NQSSNKYFJBKIDX-IBGZPJMESA-N 425.420 2.369 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)/C=C/c1ccncn1)CCCC2 754919317 FPQYMDWFKZOACN-IWAYRVGRSA-N 435.484 2.403 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1 762212702 CRAFHMFKVWHHOS-UHFFFAOYSA-N 434.464 2.312 30 10 IEEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1COc2ccccc2O1 780180515 RSTVNIXVIWNWQI-PBPSECFOSA-N 446.500 2.478 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 788581527 WWSUAOOTYAKJTR-JHGYQWQCSA-N 447.561 2.024 30 10 IEEE Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2=O)c(C)c1 788941630 GRTNRSBMCGINRC-RTBURBONSA-N 447.543 2.299 30 10 IEEE C#C[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 810099154 GAZRKYIXEIFITQ-GOSISDBHSA-N 444.937 2.394 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813711879 QZUORMMJKQCHKG-UXHICEINSA-N 449.573 2.324 30 10 IEEE CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 915000400 GCRRIPODQUTFKU-TZQQIIETSA-N 435.546 2.461 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c1O 1084440012 LTMSWOVHUFPPLR-UHFFFAOYSA-N 431.453 2.022 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)C1=O 1131987977 DSUFZATZSHGYFM-UHFFFAOYSA-N 439.375 2.139 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 1136107682 NJNRWQSPKCHPCF-INIZCTEOSA-N 440.301 2.490 30 10 IEEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1141515184 RZSIGSXKTBABNE-UHFFFAOYSA-N 440.548 2.085 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c(=O)nc1O 1141865838 HOIJTRAZWOQJNA-UHFFFAOYSA-N 435.415 2.170 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)ccc2c1=O 1142250713 FMEAANFFMHPNKT-HSZRJFAPSA-N 434.521 2.140 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](c2cccc(Br)c2)C1)c1cc[nH]n1 1158649962 WRBIJDXVZZAOTE-CQSZACIVSA-N 449.305 2.472 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 1159778297 KRKJOHDIAABOSN-IBGZPJMESA-N 434.558 2.410 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(C#N)s1 1162247787 AWWCSTVORLVOMX-LJQANCHMSA-N 449.554 2.400 30 10 IEEE N#Cc1ccc(N2CCC[C@H](N3C[C@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)C2=O)cc1 1176951535 JETBJJSDCJPHCI-AYBZRNKSSA-N 441.475 2.495 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CCC[C@@H]2C)c1 1286309517 LOVIKSYUEDOKJQ-SFHVURJKSA-N 444.543 2.276 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286340892 ABBRFRMPZRHEAN-DLBZAZTESA-N 449.552 2.489 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286360401 GJDDVXHTKQZHBF-DSGGYQJVSA-N 438.463 2.153 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCN(CC)CC1 1286377053 RAXMLOJFZVBEPN-QFIPXVFZSA-N 438.576 2.278 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286387846 JBZYFZIURGZFSS-KRWDZBQOSA-N 443.529 2.321 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286390440 AVPKKUQQWHLSOC-NRFANRHFSA-N 441.601 2.384 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 1286744805 MVNHKGQDOGPUSH-UHFFFAOYSA-N 438.504 2.150 30 10 IEEE C=CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1286834425 DVZMIRQCKHWPEB-FGSXEWAUSA-N 449.621 2.485 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1287727970 FUZHTOZHSPLOJO-IKGGRYGDSA-N 425.526 2.438 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1288247677 FJONHXSBXNUMOI-RTBURBONSA-N 438.532 2.116 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCOCC1 1288704335 ABJQHYNLRMDZAZ-MSOLQXFVSA-N 440.548 2.423 30 10 IEEE Cn1ccn2c(CCNC(=O)c3ccccc3Sc3ccccc3C#N)nnc2c1=O 1288908022 OQXUYADGFHAJPX-UHFFFAOYSA-N 430.493 2.423 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1-n1cccn1 1290635780 BQXZEKNBUNSQFE-UHFFFAOYSA-N 435.509 2.199 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1291229840 PNJBNBHBXHNJLU-MYDZZUQKSA-N 439.545 2.197 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1297795188 IMSVGMZGNRRRMB-PMERELPUSA-N 431.562 2.217 30 10 IEEE CCN(C[C@@H](O)COc1ccc(CCOC)cc1)C(=O)C#Cc1ccc2c(c1)OCO2 1298416153 MUCFOVGEHFJQDQ-HXUWFJFHSA-N 425.481 2.244 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1300503506 DBEQILNHLGWFCY-FRQCXROJSA-N 448.520 2.023 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccccc1 1300555462 ZBUABBJGEUWCHA-XMMPIXPASA-N 428.496 2.296 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1300595911 SUXSIWIFVHHTSI-IBGZPJMESA-N 445.564 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1300885468 PSODRJVWXNUWQI-LPHOPBHVSA-N 439.626 2.366 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1301269043 VTXJAOLTYNTSCO-UHFFFAOYSA-N 440.529 2.141 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301490868 HDHBKHHVDHFHNQ-INIZCTEOSA-N 441.536 2.088 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 1301503289 YAOYJEXHQFLHHQ-UHFFFAOYSA-N 440.592 2.370 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](O)c2cc(OC)ccc2OC)c1 1303384938 OZFATQPLXOLBOJ-QVKFZJNVSA-N 431.510 2.353 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)C(F)(F)F 1303405001 GVPSTSILYXVOKY-CQSZACIVSA-N 427.475 2.181 30 10 IEEE C=CCCn1cc(CNC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)nn1 1308383340 XDEYKNPZFWLYRI-MRXNPFEDSA-N 432.491 2.427 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)c1ccc(Br)cc1 1309532221 RNOJPHLVWPWMDF-MRXNPFEDSA-N 443.344 2.010 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2COc3ccccc3[C@H]2O)cc1Br 1309546392 GGINREZOSBBRRU-XJKSGUPXSA-N 427.251 2.233 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2(C(=O)NCC3CC3)CCCC2)cc1 1310130769 IJJIHLWOKCOOHG-UHFFFAOYSA-N 434.562 2.454 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1 1312354263 VJEAGZXXMRMBFH-UHFFFAOYSA-N 433.534 2.005 30 10 IEEE CCN(CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1313799927 HEXBWXJKMHGGGZ-SFHVURJKSA-N 438.598 2.321 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1315229618 UENCIVPUXGCBSV-WMZHIEFXSA-N 438.532 2.259 30 10 IEEE COc1ccccc1Cc1nnc(N(C)CCN2CCOCC2)n1Cc1ccc(C#N)o1 1315617778 HYBLLKKLIIYRTL-UHFFFAOYSA-N 436.516 2.159 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1316335108 AUZIROUPXLSNRA-UWJYYQICSA-N 447.536 2.260 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1316534031 MFAIOXKQDJCWFU-GOSISDBHSA-N 427.530 2.320 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(-c3cccc(OC)c3)nn2)cc1 1357310218 RDXCSOMHBPCVBO-UHFFFAOYSA-N 427.486 2.335 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)cc1 1358123892 RKIWQRBBCJJAEL-UHFFFAOYSA-N 436.530 2.078 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1359013643 HASRHOOLDBEFRR-UHFFFAOYSA-N 432.546 2.293 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1359074730 PFDRFKKNSQYMQN-CBGDNZLLSA-N 437.610 2.128 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359097189 LUELCTKPUFLFMT-QFBILLFUSA-N 433.578 2.278 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCN2CCN(CC)CC2)C1 1359318325 BHHGFGDVQGAGMU-OAQYLSRUSA-N 425.581 2.149 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1436926123 CKQUBZDONALZDL-KPEUIFRASA-N 442.965 2.459 30 10 IEEE CN(C)S(=O)(=O)NCCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1449117605 IPRNYRXUFLCQGD-UHFFFAOYSA-N 439.353 2.102 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 1460666790 PFBVDWZKMKSNGI-HBMCJLEFSA-N 447.624 2.400 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1464930525 NHRFQXDVOXTHKN-IEBWSBKVSA-N 449.596 2.165 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1471557993 GFNYZGKAYNERIZ-IBGZPJMESA-N 433.505 2.016 30 10 IEEE C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1473830089 MRCFEXDEILMCDI-SFHVURJKSA-N 433.553 2.133 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)CC1 1478696646 MNWHHKLSDJTDNG-UHFFFAOYSA-N 427.871 2.468 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1500569401 RKQVTRIPGFTIJI-SJORKVTESA-N 426.521 2.428 30 10 IEEE COc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)(C)O)cc1 1504198915 HZWNPYKJJJACHU-UHFFFAOYSA-N 433.516 2.318 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1504488640 CLLJGOZJPBPLEI-WOJBJXKFSA-N 427.505 2.149 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCSCCCO)cc1 1505315501 MZMTWXHGWDPREN-SJORKVTESA-N 429.502 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1507646722 XUOHGOZYRBPWHX-UGKGYDQZSA-N 438.528 2.477 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCNC(=O)c2occc2C)CC1 1507728607 UEPXUPLAJUJVEL-UHFFFAOYSA-N 438.576 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1507739454 QCLATFGZXBMIRW-HOJAQTOUSA-N 429.565 2.037 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)O)CC1 1507739615 CXMPCCVVVNERNH-UHFFFAOYSA-N 439.560 2.211 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1 1507756800 MUXLLIYQIQAPRO-UHFFFAOYSA-N 431.537 2.454 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508079502 XOZQTEROQIHQTA-LJQANCHMSA-N 432.532 2.143 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1508415613 DNXBOCYSMNECOO-GOEBONIOSA-N 431.518 2.237 30 10 IEEE Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1511060040 GMPFXYZYBPDJBC-XMSQKQJNSA-N 426.496 2.353 30 10 IEEE Cc1nc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1511564175 GSOBHDPVGIDNBW-DYVFJYSZSA-N 442.911 2.470 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C#N)c1 1516830067 ADTJAZGJMONUPZ-LJQANCHMSA-N 446.577 2.309 30 10 IEEE C#CC[C@@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 1517930042 PFDCOKDDROQSQO-HXOBKFHXSA-N 438.532 2.178 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(C)COCCO1 1519152500 QNWRISBKYXTNAI-REWPJTCUSA-N 441.532 2.112 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCCOC1 1534509846 MALQUTGKOFYZHF-VGOFRKELSA-N 430.505 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C#N)o1 1539237826 LPYZFQCPHQSXAS-UHFFFAOYSA-N 447.524 2.132 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1cccs1 1539300632 WFYQJNWQNPZGSL-YADHBBJMSA-N 428.558 2.362 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCNC(=O)c1cccc(C)c1 1539332510 UGOHEDFFBZXGQK-UHFFFAOYSA-N 426.524 2.465 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)Br 1539400246 ATAAQHYZCHZDBV-OAHLLOKOSA-N 437.285 2.004 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ncnn2C(C)(C)C)CC1 1539436495 USMIELSNKXJPSW-UHFFFAOYSA-N 439.955 2.144 30 10 IEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1539798333 FALVUSLXKNSEOT-AWEZNQCLSA-N 427.896 2.451 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539874407 FPPWPVVKCZWXGL-GHTZIAJQSA-N 438.594 2.157 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 1540867290 QQCCQWUFUJISFB-UHFFFAOYSA-N 435.507 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCCOC1 1540868315 ABWJKYZOZWZMLJ-GOSISDBHSA-N 435.532 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccsc2)CC1 1540901263 YBWORGGZEPOESC-UHFFFAOYSA-N 446.602 2.258 30 10 IEEE Cc1cccc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)n1 1542645289 ICWFNJBFBSVLED-GOSISDBHSA-N 428.562 2.256 30 10 IEEE C[C@H](CC#N)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1543278848 PYWQBSCDKBXUQN-LLVKDONJSA-N 427.299 2.167 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)cc1 1544510745 YQQTVIQDOZIITG-IBGZPJMESA-N 427.526 2.186 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)C1 1547780083 IRPSFYMICCRIEQ-SNRMKQJTSA-N 446.552 2.473 30 10 IEEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OC 1558384053 SXEXMSNPADIKRJ-RDJZCZTQSA-N 425.551 2.073 30 10 IEEE CCOC(=O)c1cnc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1C 1558976987 XDPWFPRMPKGWFF-GJGORFQUSA-N 431.493 2.322 30 10 IEEE C#CCN(C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)C1CCN(C)CC1 1565417794 QWYDIXPGLJBNBB-GOSISDBHSA-N 442.564 2.013 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc21 1567508905 ZSQPXYNBEXDYBC-FQEVSTJZSA-N 446.511 2.101 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1=O 1567743710 KGMHUEYTLZTMTE-YADARESESA-N 440.544 2.317 30 10 IEEE N#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CCCC1 1583396219 XWORIXLIFYDKAQ-LJQANCHMSA-N 447.557 2.447 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 1587220702 KUAAYDJEHDNXHP-UHFFFAOYSA-N 427.482 2.354 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 1587659137 WUSXLTGMGKIMQL-KBXCAEBGSA-N 447.479 2.320 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1588040214 JPIHKUSJHQNHMV-PXNSSMCTSA-N 436.965 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1CC 1588088800 AUIMYEHYSWZSQI-XMMPIXPASA-N 438.576 2.298 30 10 IEEE COC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(OC)cc1 1588211532 DRHIBEPWWQPOAF-GOSISDBHSA-N 434.445 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCc3ccccc32)CC1 1588884431 AIJTYHBLSUQALP-RUZDIDTESA-N 435.572 2.375 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1588969062 VDGMKWLNJNQOJP-ABSDTBQOSA-N 429.565 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C 1589556233 BABUVXBEVBCYPE-AVRDEDQJSA-N 441.580 2.368 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1594568665 WUDQOTIYKXPIHC-OALUTQOASA-N 439.564 2.439 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1596868538 PTYLUWZQHPJCRI-YKTARERQSA-N 431.562 2.500 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1597197841 XKMMBYBHWNFPJO-SFHVURJKSA-N 446.577 2.007 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567114 GEQYPBOAUQXPEY-AQOAWAETSA-N 445.541 2.265 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1CSC 1617384027 AOUVWFLCXAXSOT-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE CCCCOCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1618437532 MKRSKNUMUVJZNP-UHFFFAOYSA-N 449.305 2.433 30 10 IEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1 1618729843 HFCHFTAWDWOUBB-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1620080570 CTGZQWUOTXTRKJ-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc1 1622964824 RLXQZPSXUNVHDB-DEOSSOPVSA-N 442.560 2.238 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](CC#N)c3ccccc3)CC2)c1 1623354918 GSCUPFSKWYZDTI-IBGZPJMESA-N 443.525 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CCCN1CCCO 1624758162 CCSDCWSKIRGPPB-FPOVZHCZSA-N 442.560 2.356 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 1628786259 BMMPTBPLWVINJP-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cs1)C(N)=O 1631335849 MRPCDQWLNMNSNS-SUMWQHHRSA-N 429.571 2.260 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1634107328 CFVGFOPZPVLAHN-XNROWMOSSA-N 449.552 2.444 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1634789374 IFCOVBVXOGKCJK-UHFFFAOYSA-N 432.473 2.235 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3n[nH]c4cc(C)n(CC)c(=O)c34)ccc2c1=O 1641673207 OXZILVGIQJOYAC-UHFFFAOYSA-N 436.497 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NC(C)(C)c2cccc(C#N)c2)C1 1645324860 FIOWUFAJEGLZOW-KRWDZBQOSA-N 435.546 2.334 30 10 IEEE Cc1nc(=NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n(-c2ccc(C#N)cc2)[nH]1 1648580841 VMZUBDMYOVBDJS-UHFFFAOYSA-N 434.500 2.458 30 10 IEEE COCc1ccc([C@H]2COCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1 1655655392 MCDDHUSSWOZSDY-RBUKOAKNSA-N 444.557 2.270 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)OC 1656406225 UBYCTUFLFVRHQI-SNVBAGLBSA-N 425.232 2.283 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccc2Br)c1 1662485365 XLACVRBPQWXCJW-QGZVFWFLSA-N 439.331 2.377 30 10 IEEE COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)[C@H]1CCC[C@H](OC)C1 1662859494 DZDSWPKTTMOFFB-DETPVDSQSA-N 445.335 2.346 30 10 IEEE C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1675070151 DURKKLOWMPXJAT-CVEARBPZSA-N 429.583 2.407 30 10 IEEE C#C[C@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1 1683502616 QRQLEQZACMRNGQ-IBGZPJMESA-N 426.904 2.088 30 10 IEEE C#CCN(C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2)[C@@H]1CCS(=O)(=O)C1 1684351177 UHJOOYKJPOPGAL-LEWJYISDSA-N 429.586 2.121 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC2(C1)OCCO2 1690063658 LLDXIOPMNPPENL-KRWDZBQOSA-N 444.557 2.351 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(OCCC)c2)CC1 1690122409 PXRUTAIZBDGVBY-OAQYLSRUSA-N 436.560 2.016 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2nnc(C)s2)CC1 1690139600 UDUGKZRCCSJBSJ-UHFFFAOYSA-N 439.545 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1nccs1 1690665679 MCSGNDBPACMSTQ-UHFFFAOYSA-N 428.518 2.357 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1691005676 DKQVMWMIXBCRSD-CVEARBPZSA-N 436.557 2.343 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOCC1(C)C 1698130016 PZTNRNRYVDHKFR-SFHVURJKSA-N 434.585 2.243 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705523422 WVMWWFSUVFSVAW-UHFFFAOYSA-N 444.486 2.070 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NCC#C)CC1 1705528675 ODOJYHJPDCOBCN-UHFFFAOYSA-N 433.512 2.096 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN(C)c2ccccc2)CC1 1705632707 ZLPJOJZPULGXGU-UHFFFAOYSA-N 449.603 2.186 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(C)cc2)CC1 1705648120 OCPSBZRMJSHXRD-HXUWFJFHSA-N 437.544 2.135 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC 1705672184 NSZCENOGJJEOQL-OAQYLSRUSA-N 440.529 2.141 30 10 IEEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705808194 CUUXLPGDCMSMOM-UHFFFAOYSA-N 447.609 2.140 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705820908 DCJYQVIBLDBYNU-KNQAVFIVSA-N 437.592 2.219 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705828877 AYTJBGOUOCGAAY-CQSZACIVSA-N 443.533 2.169 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)[C@H](C)C1 1705988434 VGAMXHNKYVAPQN-QGZVFWFLSA-N 449.559 2.180 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)OCCCO2 1706603016 GZAIZEUZABVWGS-NRFANRHFSA-N 428.468 2.068 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCN/C(O)=C1\N=CC=CC1=O 1711968863 PFFJJZPUSYGFJS-VNRULFPQSA-N 449.515 2.142 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1722346832 APLJYHSMZSBQMS-OAHLLOKOSA-N 437.953 2.101 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](OC)C(F)(F)F 1722407826 TXXNRSMHPDSVLS-MRXNPFEDSA-N 434.426 2.348 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2=CCCCC2)CC1 1722444457 KAUUOTFEWBVUJF-SFHVURJKSA-N 429.565 2.468 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1722459568 NJKTZFNFRHXFAY-KRWDZBQOSA-N 442.545 2.383 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1722680168 ZTHPWUGNKIVQOJ-LJQANCHMSA-N 438.532 2.043 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(CC)C2)C1 1722709611 UHTPNKQLZVGNCJ-ROUUACIJSA-N 425.537 2.049 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1722723018 UMXVEQPBWCZJMD-UYAOXDASSA-N 446.573 2.382 30 10 IEEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@@]1(O)CCN(C)C1 1729043859 SOJRTXUCKDGJEP-ZJSXRUAMSA-N 438.576 2.212 30 10 IEEE CN(CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 1729536034 BSSIXIBZUYGCMI-OAQYLSRUSA-N 435.507 2.264 30 10 IEEE COCCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1730612856 ABBNWWMYDQDWDY-DNVCBOLYSA-N 426.587 2.081 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740598295 LJRBWOUZOQFSKG-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740627919 UBWPOHIXIBNVNN-HTAPYJJXSA-N 436.622 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740635240 KSHUHZLBLODRLB-UHFFFAOYSA-N 430.487 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NCC)c1 1740641762 NAJNYILWNRZNGO-UHFFFAOYSA-N 429.528 2.011 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 1740696987 NRWMXKWFFPSWSX-OAQYLSRUSA-N 431.993 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cc(F)cc(F)c2)CC1 1740707966 XEFZIIOUCWHHCL-UHFFFAOYSA-N 431.487 2.301 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740848936 UWXYUQQPNUBRDO-KRWDZBQOSA-N 427.553 2.361 30 10 IEEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)(=O)CC1 1740887536 AMJQSEGHEWGAOE-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740895431 ZDKHPXLMGAIIIN-QGZVFWFLSA-N 449.577 2.399 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1747668269 LRWRMBVWMBFIJE-UHFFFAOYSA-N 441.605 2.216 30 10 IEEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1748706347 IHOWFIXKNHQKTO-SFHVURJKSA-N 438.532 2.370 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748735750 IYNJYJWGBFBPLV-JFIYKMOQSA-N 430.480 2.331 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1748766086 FGEKAEOGATZCHV-UHFFFAOYSA-N 449.490 2.019 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748821555 RHXWVMUADLLXKA-YZGWKJHDSA-N 442.585 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCS(C)(=O)=O 1748886870 OCCQUSJBZRNPCA-UHFFFAOYSA-N 436.541 2.028 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1748912481 DXEMRBIWXBQGSU-HSZRJFAPSA-N 426.517 2.483 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1748979677 IWRRTLCIYAVYGA-VGOFRKELSA-N 426.521 2.406 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C 1749022618 LFAZLYPCJJISJI-HOTGVXAUSA-N 433.603 2.378 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1749140387 OOASKEJCZQWZPL-ZCNNSNEGSA-N 447.580 2.090 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCO3)CC1 1749329412 LMUWLRBVHNJBCM-OAHLLOKOSA-N 447.561 2.110 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749454463 HINMCFJHUAAJFB-UHFFFAOYSA-N 429.525 2.385 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)C1 1751277919 QJKSIHKQVWAFHX-RXVVDRJESA-N 448.593 2.241 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1760186812 GKPCFOOZUIKIBN-JKSUJKDBSA-N 428.505 2.192 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189780 WSGMRAUKVHBUOJ-IAGOWNOFSA-N 426.608 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(C)CN(C2CC2)C1=O 1760220436 IZEQXAVIPFFQSJ-VWLOTQADSA-N 431.540 2.351 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(CCOC)c1 1760225947 DKAZHFFTCXLENB-UHFFFAOYSA-N 446.353 2.397 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1760234546 QAMCLPWRIXDXRY-LRZVDXDASA-N 431.581 2.249 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)CCCO2)n1 1760252528 OVVMAEDDJPXUBP-XXBNENTESA-N 442.564 2.224 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCOCCS(C)(=O)=O 1760298538 LCRJIYUDQPMEOI-JOCHJYFZSA-N 446.573 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cnccn1 1760553286 ADCXOKXTMSRJCR-UHFFFAOYSA-N 437.529 2.454 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCc2ccccc21 1762239302 DPFCUQUFJNDWTM-DHIUTWEWSA-N 440.523 2.472 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1769276113 NJSYLALHXFJAOS-GOSISDBHSA-N 426.496 2.250 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(N)=O)cc1 1771189576 ZNXJQWRMFPRXOZ-MRXNPFEDSA-N 426.521 2.279 30 10 IEEE N#Cc1ccc([C@H](CC(=O)NCCCn2ncccc2=O)N2Cc3ccccc3C2=O)cc1 1851874873 BZFMOAAPMQLZAZ-QFIPXVFZSA-N 441.491 2.409 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1 1852082923 HWXVQJBQHPGVKE-CQSZACIVSA-N 447.948 2.169 30 10 IEEE N#CCCN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 1852410144 FQPTUHRFYMKXDE-UHFFFAOYSA-N 430.505 2.079 30 10 IEEE Cc1ccc(C(=O)N2CC(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)C2)cc1 1853330713 BIBOBCSHLIQPGU-UHFFFAOYSA-N 431.436 2.328 30 10 IEEE Cn1nncc1CN(Cc1nnc2n1CC[C@@H](C(F)(F)F)C2)C(=O)c1ccc(C#N)cc1 1853417850 OUDOUFULIODCLZ-OAHLLOKOSA-N 444.421 2.246 30 10 IEEE Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1C 1854038804 VFQLVBWQGOKIKM-UHFFFAOYSA-N 425.510 2.167 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CCN([C@H](C)CCC#N)[C@H](C)C3=O)nc12 1856282967 PMOJFWXPPJCVMB-HUUCEWRRSA-N 429.546 2.493 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 1857064213 SLLWGKLONRNJGV-CQSZACIVSA-N 431.445 2.280 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862482334 OTENYJDQLDWJIY-IBGZPJMESA-N 439.424 2.323 30 10 IEEE CC(=O)Oc1cccc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c1 1870136681 FAMPAAUTRMPXHV-UHFFFAOYSA-N 445.483 2.068 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(OC)c(O)c1 1874501263 YQOFSOFFGZBGSL-UFWORHAWSA-N 434.503 2.208 30 10 IEEE O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)NCC#CCN1CCCCC1 1891190405 LONQYENXBTTXEP-XMMPIXPASA-N 433.552 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622930 GAQQARDIAXOERT-GFCCVEGCSA-N 442.272 2.263 30 10 IEEE C=CCN(CC(=O)Nc1ncnc2c1nc(Br)n2C)C(=O)OC(C)(C)C 2124423444 LKQWBQBXAHJBAK-UHFFFAOYSA-N 425.287 2.487 30 10 IEEE COC[C@H]1CCOCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172779352 BEAQHECQHFOFLY-CQSZACIVSA-N 427.148 2.385 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2244374967 COHOURLPEDFACZ-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2247845854 WPMRGZBTQLVHQO-KGLIPLIRSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627139 OIWKXUYIDAXYJQ-CQSZACIVSA-N 434.346 2.228 30 10 IEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(C)(C)NC(=O)OC(C)(C)C 2255651086 UHNNOCWLIPTGQX-CYBMUJFWSA-N 436.362 2.141 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830485 HCJOBQJMULRSEO-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256621012 PKUMEWZNERRKRM-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267092821 PDZDTBMRYJWZPI-ROUUACIJSA-N 436.365 2.349 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267139022 AEANSDPSOWCJBP-QDMKHBRRSA-N 446.357 2.369 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267146291 JWQHTZYGKFVXSX-LSDHHAIUSA-N 448.373 2.378 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 2267227916 WOIGCBIUHUHONP-MSOLQXFVSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](F)C1 2267273018 HFNHTEPXKXQTCF-IAGOWNOFSA-N 449.332 2.458 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1NC(=O)OC(C)(C)C 2267503103 XVHXDHSGPJXGIS-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267520727 MGJLDHYOAIGHNX-GJZGRUSLSA-N 448.373 2.155 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267544654 XIKQIPFNBOZDIF-IEBWSBKVSA-N 436.365 2.274 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267604284 FHAUZEHVHUHPKE-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267870692 HDYKDIBHFUXRJA-GOSISDBHSA-N 436.365 2.370 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268634653 ZVNXOEVJKZNJQT-MRXNPFEDSA-N 446.353 2.104 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2271959646 LCZFUGZHTDINIY-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE CCCCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314459888 PDTAHTJPBNLHIF-UHFFFAOYSA-N 445.614 2.411 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(ON2C[C@H](NC(=O)OC(C)(C)C)CC2=O)n1 2315407546 MNOYKWKJSASXFK-OAHLLOKOSA-N 433.314 2.109 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1C 2337270237 JDABBXJAIGEHFU-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2337303919 NMJAQXHIEAGJEL-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)c1 28998256 YEJKBNIQQGKLSO-GOSISDBHSA-N 427.526 2.476 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)c1OC 58996855 XLGKUFWVDURYJV-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCc3c(nc4cc(-c5ccccc5)[nH]n4c3=O)C2)cc1 97151613 HXPCKHWSBXMPQN-UHFFFAOYSA-N 431.477 2.308 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cnc3ccccc3c2=O)cc1 109935844 JGYKYKRVVPEMGE-IBGZPJMESA-N 433.493 2.198 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 460932358 NTAXFPCRLGJZLB-IRXDYDNUSA-N 443.639 2.299 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCCSC)c1=O 478857510 SRBVKVDGCJAUBT-UHFFFAOYSA-N 445.585 2.146 30 10 IEEE CC(C)(C)c1nc(CN2CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)no1 480720079 IGVVYYCDDVBKDG-UHFFFAOYSA-N 435.525 2.416 30 10 IEEE CC(C)n1ncc2c1C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 481134680 BPEYHRKDSPAEKZ-MJGOQNOKSA-N 434.500 2.214 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(COC)o2)c1=O 481587085 NEIIYPCISXDNKC-UHFFFAOYSA-N 436.489 2.230 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 487023958 FGIDQVJHNJRHDK-GJZGRUSLSA-N 446.573 2.169 30 10 IEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508958548 ATGGURGUIMIMHX-SFHVURJKSA-N 441.532 2.224 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 515544226 PIXSETHETBNFMH-UHFFFAOYSA-N 447.539 2.432 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(F)cccc2F)c1=O 523651933 AYZOVOAIYPHVBF-UHFFFAOYSA-N 432.492 2.487 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1 524105617 CULMGCLOYLATRG-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 549291470 GDTGGIRZHNDWSZ-UHFFFAOYSA-N 432.475 2.233 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccn(Cc4ccccc4)n3)C2=O)cc1 556426537 BIXQDAYKJAGCGV-JOCHJYFZSA-N 428.496 2.403 30 10 IEEE C[C@@]1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCN1Cc1ccccc1 567287620 IZHMTUGZUNKXJH-QFIPXVFZSA-N 426.542 2.007 30 10 IEEE C[C@@H]1CN(Cc2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)C[C@@H](C)O1 570490663 VABHFIPICMHGDN-IAGOWNOFSA-N 442.541 2.084 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c[nH]c2ccccc12 574963160 UDLRZNIUCFXVDZ-IBGZPJMESA-N 444.561 2.305 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N[C@H](C)c2ccccc2)nc1C 586300763 AGMCYYSVJPUMDZ-BRRNQIAESA-N 449.554 2.359 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(F)cc1 603787759 GZOAVMJLIIVATK-UHFFFAOYSA-N 425.510 2.225 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 603797405 DLIPANHKKJHODD-IBGZPJMESA-N 445.544 2.024 30 10 IEEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730716913 BRMKXWGGYFKAGF-DOMZBBRYSA-N 444.492 2.101 30 10 IEEE COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)cc1C#N 746876935 LGGCASVNRJEGJA-MRXNPFEDSA-N 439.468 2.262 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758767894 GYVORINIQAXNIN-SZMVWBNQSA-N 435.569 2.328 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cc(C)cc(C)c2)C1 760300460 HXNAGBGOSXYFOM-DLBZAZTESA-N 431.562 2.175 30 10 IEEE N#Cc1cc(COC(=O)/C=C(/Br)C(=O)OCc2ccnc(C#N)c2)ccn1 764580200 YEPVFTXPBCWAGN-FRKPEAEDSA-N 427.214 2.285 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(CCC#N)CC(F)(F)F)C1=O 771392937 OWKOHCVYDFUXAK-GOSISDBHSA-N 426.395 2.075 30 10 IEEE C#CCN(C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774249596 JFLFOEYDFKTVAT-GOSISDBHSA-N 435.546 2.408 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)ccc1I 778640702 PACQLVHICBOEFM-SNVBAGLBSA-N 448.282 2.391 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCc2cn(C3CCCC3)nc21 780442617 OIFGSVDSCWISCC-KRWDZBQOSA-N 427.530 2.231 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2scnc2C2CC2)c(=O)n1Cc1ccon1 782779733 KTHXGDZWMSPTDN-UHFFFAOYSA-N 438.534 2.152 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CCCN1C(=O)OC(C)(C)C 790680538 BYTKMHZCEDPHQL-KSFYIVLOSA-N 431.537 2.296 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 795820632 WPTBTOWAFVRZGR-NRFANRHFSA-N 444.491 2.205 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCc1ccccc1CN1CCOCC1 914594966 PEHWYVKHJQUGMH-GOSISDBHSA-N 437.496 2.017 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 916178921 USVOKEMWDLNPGK-UHFFFAOYSA-N 449.554 2.157 30 10 IEEE Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 916896390 GBBBXPYMKXZNFD-AEFFLSMTSA-N 444.513 2.348 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCOc3cccc(Cl)c3)cc2C1=O 918812640 RSBQCACUWGPHIJ-UHFFFAOYSA-N 442.855 2.474 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1O 1083975312 BZMQBAYZQXPAOU-UHFFFAOYSA-N 449.443 2.161 30 10 IEEE CC1(C)CC(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)CC(C)(C)N1 1084532399 AKCUEWSJEJIXKP-UHFFFAOYSA-N 431.566 2.474 30 10 IEEE COC(=O)CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCCCC1 1130728553 FHXUPCTVWFNXHQ-GOSISDBHSA-N 426.473 2.098 30 10 IEEE O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 1131876719 TUDGLGVZTKNZJV-VIFPVBQESA-N 429.292 2.354 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1136427630 STXVQIIONUXZRY-KSZLIROESA-N 444.594 2.431 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)C#Cc3cccs3)CC2)cc1OC 1136878911 NAZCRQSUYOKAIP-UHFFFAOYSA-N 434.539 2.086 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1149820011 MHXYGADTFCXPMI-RTBURBONSA-N 436.597 2.391 30 10 IEEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCN(CCC#N)CC2)c1O 1152068221 JLLHOCUOGKORTQ-UHFFFAOYSA-N 432.480 2.168 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1=O 1153357471 DUCHKQUXGFXAFD-OALUTQOASA-N 427.501 2.038 30 10 IEEE C=CCN(C(=O)c1cc(S(C)(=O)=O)ccc1N)[C@H](Cc1ccccc1)C(=O)OCC 1154300768 BBZMXYAVYIPURW-HXUWFJFHSA-N 430.526 2.475 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3c(Br)nc4n3CCOC4)C2)nc1 1156248032 WHFSUUSQEQHMFW-CYBMUJFWSA-N 431.294 2.159 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1 1185614371 KSZKGSZHCLGCEA-UHFFFAOYSA-N 439.415 2.428 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1196057614 RPBXEHXRLZZUGJ-AZUAARDMSA-N 435.590 2.048 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 1204802832 GKGODDTUJXVSNN-UHFFFAOYSA-N 447.904 2.429 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN(C)C(C)C)c1 1286309535 MIZXWETURDDWAQ-UHFFFAOYSA-N 448.575 2.465 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286338899 HCJAUEVWLRFEHY-IBGZPJMESA-N 443.573 2.371 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286349918 QRLBSYLAWRURJT-KRWDZBQOSA-N 426.521 2.281 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1286394241 HWUPWUXQONEDEB-SFHVURJKSA-N 439.541 2.156 30 10 IEEE C#CCSCCn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286512776 NYVUKDBMIJHIEE-DENIHFKCSA-N 433.622 2.360 30 10 IEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286835083 NWKLFKHWILONPW-INIZCTEOSA-N 432.525 2.129 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)cc1 1289827392 GYPIRDKBXWOHNI-KNQAVFIVSA-N 442.589 2.332 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1290976549 SDDAXGIWBKHXBN-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCOCC1 1295440206 ZPYYDCJDJWXHIJ-UHFFFAOYSA-N 429.901 2.022 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCOCC1 1300304917 QRFZORSKZYIEGY-QGZVFWFLSA-N 435.532 2.164 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300493173 RVVHEAOHUFGPRO-AQFXKWCLSA-N 428.562 2.359 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(CC)C(C)C)CC1 1300699347 BTAFXPCTDJGUSM-JOCHJYFZSA-N 438.576 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)CC)CC1 1300726201 IMYZBZDPCYZFGV-QHCPKHFHSA-N 445.514 2.274 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1300829927 CAWMGWFHMFCTEW-SNVBAGLBSA-N 428.303 2.032 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1300849326 OJKNZSQVPIGMQU-BBRMVZONSA-N 447.424 2.422 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNC(C)=O)C1 1301555840 DMXBSIYNOZLYGK-XLIONFOSSA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1301578428 ALJGGAMQWFBIEV-HNNXBMFYSA-N 438.504 2.208 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnc(C)s1 1301589104 NIJZAGYMHZRURU-HNNXBMFYSA-N 425.580 2.174 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCOC2)C1 1301618693 VQYGESJQDGOIPW-HXUWFJFHSA-N 449.602 2.185 30 10 IEEE COCCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1301813183 PFYVZFZDBCUMAM-HXUWFJFHSA-N 434.500 2.438 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1306528489 IDGCFMSBAYDHTG-FCHUYYIVSA-N 443.573 2.383 30 10 IEEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 1307196154 QPCXVKVHGPTNFH-UHFFFAOYSA-N 445.976 2.265 30 10 IEEE C=CCCC1(CNC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CCCC1 1313004490 SGOJQFFNXSSRKD-RTBURBONSA-N 442.626 2.194 30 10 IEEE CCOCCCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314454668 CPYRCNKATWPKOP-UHFFFAOYSA-N 426.569 2.288 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@@H](C)C2)cc1 1315536496 GWHNMXLEEYKSSI-WIYYLYMNSA-N 440.548 2.326 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1316248613 GZTYGIQIWAESGY-FQEVSTJZSA-N 438.488 2.315 30 10 IEEE CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)[C@H](C)CC#N)CC1 1350690987 ZAJFAZBCEOUDST-QGZVFWFLSA-N 435.594 2.347 30 10 IEEE Cc1cnc2nc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCCCN4C)c3)nn2c1 1350886259 ZIGZXHGWTSPDBS-KOEQRZSOSA-N 441.517 2.278 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCC1 1358875883 YGAJZLBEKGHXPL-MRXNPFEDSA-N 443.621 2.489 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1358916502 NJZHPMCUQJTQRH-JTSKRJEESA-N 443.573 2.457 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1358972865 WAIQEAWUQCAUEA-UHFFFAOYSA-N 437.507 2.169 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1N1CCOCC1 1358974278 XRCTYBAXUKHYMQ-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)C(C)C 1359016442 CENKVMLYTAAULX-LJQANCHMSA-N 440.523 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(CCOC)no1 1359106056 XEZZKYDXNLBBHL-MDZRGWNJSA-N 432.525 2.319 30 10 IEEE C=C(C)COCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359136587 OWHZTEKCOPESAG-JOCHJYFZSA-N 435.569 2.016 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359155670 GFNBAEQPOMSSAY-UHFFFAOYSA-N 446.983 2.437 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(Nc2cccnn2)CC1 1359302309 BZEJTIQMBCVIHJ-UHFFFAOYSA-N 438.561 2.104 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H](C)c1nccs1 1359303769 AFIZGWUUJUHUBM-AWEZNQCLSA-N 428.566 2.138 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359340362 KUBCMXLXXCLPGN-UHFFFAOYSA-N 437.577 2.433 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCOCC1 1359539894 ZPMFKBCNXBZUAZ-HXUWFJFHSA-N 429.613 2.156 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(N(C)C)c(Cl)c2)c1 1434895864 RUMJXAGQGRCBQD-UHFFFAOYSA-N 426.904 2.288 30 10 IEEE C[C@@H](C#N)CN(C)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1442032104 JVBKBHXCNYJWCF-LBPRGKRZSA-N 441.326 2.367 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CCCCCO)CC2)n(Cc2ccco2)c1C 1460539646 CKLWNRLQBBKGHJ-UHFFFAOYSA-N 427.549 2.337 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cc(S(C)(=O)=O)ccc2F)CC1 1467449177 YZBHVPWDVLUOBI-UHFFFAOYSA-N 438.521 2.496 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1468146296 XJJJTURGWSRLGT-KGLIPLIRSA-N 426.844 2.487 30 10 IEEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1472148357 DCFUFEDDJFTFPN-HXUWFJFHSA-N 438.509 2.053 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC3CCCC3)CCO2)cc1 1472149633 XCCCVTQEXLIPRP-NHCUHLMSSA-N 440.544 2.179 30 10 IEEE C#Cc1ccc(S(=O)(=O)N[C@@H](CO)c2ccccc2I)cc1 1475769721 QXYNTBOUAFEECW-INIZCTEOSA-N 427.263 2.284 30 10 IEEE CCN(C)C(=O)Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1501437562 JMBWFZQXRLEJDA-HRCADAONSA-N 433.557 2.265 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1507629578 URLCTYNPMKQFCX-LJQANCHMSA-N 435.509 2.393 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1507633059 CIOCQUXAVLPXAB-GOSISDBHSA-N 428.489 2.276 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)F 1507700771 VHKQBSILGCMXGR-GFCCVEGCSA-N 433.431 2.230 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC 1507815517 IDXHHWZRSOVHAG-UHFFFAOYSA-N 429.550 2.082 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507962252 OVXKXDCLZVXZEX-NQIIRXRSSA-N 430.597 2.127 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507968952 YAQAWZYNAZHHIX-SFHVURJKSA-N 441.532 2.043 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCOCC2)C1 1508117970 SVEDMYQLGZPCLO-SJLPKXTDSA-N 432.956 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccccc1 1508143406 YIQCXKCKHCOPQM-MSOLQXFVSA-N 429.546 2.172 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1517492889 PGFCGTCDUIODPH-PGRDOPGGSA-N 426.496 2.216 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1 1517625649 HOONNACOZISWFK-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCCC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1519289135 AFBAXJAZHRKEIN-RJCBAWPRSA-N 446.552 2.155 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCNC(=O)C2CCC2)c1 1521075932 RNTGXCBGFXPIRN-GOSISDBHSA-N 449.559 2.215 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCOc3ccc4c(c3)OCO4)CC2=O)cc1Cl 1525410439 CDPMEDIOLKBHRV-CQSZACIVSA-N 427.844 2.488 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)CCc2cccc(C#N)c2)C1=O 1535482522 WJARNDABVSUYIS-XMMPIXPASA-N 434.496 2.343 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539109041 HBMFWSATWOWGDZ-GOSISDBHSA-N 438.532 2.322 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccco1)N1CCCC1 1539392154 MQLKLPMNAYZDQU-LJQANCHMSA-N 440.548 2.030 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1539454334 LVRQWPMTOXHGPL-IFMALSPDSA-N 437.588 2.500 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539614646 AYTSFKFMHKQUJE-HBFSDRIKSA-N 430.597 2.172 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1539721491 BCZXWXVJXFIDHY-OTWHNJEPSA-N 432.569 2.160 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1539731276 ZKAGCDCASPKGKE-GOEBONIOSA-N 447.552 2.353 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1540172275 WCVMDAKQMVEPFE-UHFFFAOYSA-N 437.516 2.361 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OCC)CC1 1540865547 KJEQOQDIFNKXOH-UHFFFAOYSA-N 426.521 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOC(C)(C)[C@H]1C 1540903685 FHHMOIYFPIOWKF-QGZVFWFLSA-N 448.589 2.482 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 1541631498 FHXJRZBPDJQPHM-VQTJNVASSA-N 449.559 2.207 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1cccc(C(=O)N(C)C)c1 1541634250 DFEFBSBGSKSVSR-MRXNPFEDSA-N 425.537 2.099 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1541664387 DXBZBOXXDXXXMP-UVDDSOTQSA-N 442.589 2.473 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)n(C)c1 1545010630 NCFSJOBRZRUICB-UHFFFAOYSA-N 440.529 2.424 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(CC3CC3)CC2)n1Cc1ccc(C#N)o1 1545925500 ODPDWHRQPSAEMT-UHFFFAOYSA-N 425.537 2.241 30 10 IEEE CCOCc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1548108393 FBWKWKNMQRKOQE-UHFFFAOYSA-N 438.580 2.140 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 1557184502 NTVJQHJQJJWVPY-VKJFTORMSA-N 435.546 2.051 30 10 IEEE Cc1ccc(N(C(=O)Cn2c3c(cc(C#N)c2=O)CCC3)[C@@H]2C=CS(=O)(=O)C2)cc1C 1559471789 GAVKFAMPLALTGE-HXUWFJFHSA-N 437.521 2.169 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c(C#N)cn1CCOC 1562591044 HLCIAUTYACRQKL-WFASDCNBSA-N 434.415 2.252 30 10 IEEE Cc1oc(C(=O)NCCNc2ncccc2C#N)cc1CN1C(=O)c2ccccc2C1=O 1583542467 DXJMRPGAHGFCRS-UHFFFAOYSA-N 429.436 2.493 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(N(C)C)CCOCC1 1588167146 XVZMALUJZGMQSN-UHFFFAOYSA-N 437.544 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)[C@H](C)CC 1588219332 QJEPADQXCDFWLF-IQGLISFBSA-N 446.555 2.452 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)OC 1588473945 ZRKLPYLAQPYLHF-HNNXBMFYSA-N 437.541 2.092 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1589007946 RCXYVLLDXVHTJS-QGZVFWFLSA-N 426.502 2.031 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1594962118 IOPQGBDWUIUZOH-ZDUSSCGKSA-N 445.467 2.295 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1595543870 ATHQDHAMBFVFCI-SFTDATJTSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1C 1595551517 RBZATSYOUGLRTR-MJGOQNOKSA-N 443.573 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cc(F)ccc2F)CC1 1595805240 MEMIHGLZZGZMEW-UHFFFAOYSA-N 425.505 2.046 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1596789005 FANUCOHYCKGNPX-NWDGAFQWSA-N 444.483 2.144 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1597053565 PJSSOIAXWMRCLS-INIZCTEOSA-N 430.438 2.145 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1603126109 BOKRHMKAVBXZOV-PMACEKPBSA-N 427.505 2.005 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603604537 IMZSENWIGGBHMO-ZREAOVPFSA-N 442.564 2.398 30 10 IEEE Cn1cc([C@H]2CCCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)nn1 1606970808 MCBSKSQTQSJHNC-ZDUSSCGKSA-N 429.322 2.292 30 10 IEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1607839703 ZHVNQXIEZGUJJS-HXUWFJFHSA-N 449.559 2.179 30 10 IEEE Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 1613275293 HFLKLFRXLOTBMG-UHFFFAOYSA-N 429.527 2.260 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1615338147 XQQKGVSWFGQFMT-UHFFFAOYSA-N 436.520 2.380 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1 1615536676 ZKYQNCQHRVGLQB-UHFFFAOYSA-N 431.480 2.285 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CCO2)cc1 1617919139 ZJIIWRCSMCPFMN-WMZOPIPTSA-N 431.539 2.059 30 10 IEEE COC(=O)N1CCC(Cn2c(C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CC1 1618888962 CGXWKAJIAQVKRW-UHFFFAOYSA-N 441.511 2.402 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1619666432 NOLJEGYONHVVMP-GOSISDBHSA-N 427.530 2.034 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1scnc1C 1620020149 VLPXWUBGGRBCMO-AEFFLSMTSA-N 445.593 2.186 30 10 IEEE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 1622434715 FFMAAVLTKXMEKJ-UHFFFAOYSA-N 427.498 2.080 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)s1 1628758584 GADWZSRGAXLKLK-FXAWDEMLSA-N 438.546 2.082 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)OCc2ccccc2)CCC1 1629545223 GGOFSCLQVRZCJX-MRXNPFEDSA-N 441.509 2.007 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)c1 1630351127 FFKOKZDTVZNOEV-SMKFHGBISA-N 426.498 2.313 30 10 IEEE C=CCn1c(SCC(=O)N[C@@H](CO)Cc2cnn(C)c2)nnc1-c1ccc(Cl)cc1 1630356796 PYHFYOWKIRMSTG-QGZVFWFLSA-N 446.964 2.330 30 10 IEEE N#CC1(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCSCC1 1632642619 OWYDRWCALBBQRM-FQEVSTJZSA-N 426.586 2.359 30 10 IEEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCN1CC(C)(C)O 1634203942 AMTSXMNPZLIBHI-PDIVGGKMSA-N 434.581 2.077 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 1636788121 XDMFMYWFOGELBD-LJQANCHMSA-N 425.554 2.192 30 10 IEEE Cc1nn(C2CCOCC2)c(C)c1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1639054429 MFYNNLBIFMTVGI-UHFFFAOYSA-N 426.473 2.369 30 10 IEEE CC(C)(C)N1CCc2nc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)sc2C1 1639571827 SVUNCRGNBUGYML-UHFFFAOYSA-N 433.559 2.088 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cccc(N4CCCS4(=O)=O)c3)C2)nc1 1645084917 GHJLEFZRHVOEPQ-SFHVURJKSA-N 425.514 2.210 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)C1 1645229731 FBENQKRMZKCIAG-LBPRGKRZSA-N 449.392 2.203 30 10 IEEE CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@](C)(C#N)C2)c1 1655732750 FSGHLRQAMVUNLJ-OAQYLSRUSA-N 428.514 2.065 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 1681954376 ANDBIPOQBPBWGW-UHFFFAOYSA-N 439.896 2.269 30 10 IEEE N#CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 1682276355 IUAHGJXGLLJWIH-UHFFFAOYSA-N 434.468 2.247 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N=c2cc[nH]cc2)cc1 1684369728 FMEHKXFMVQZGEP-QGZVFWFLSA-N 428.500 2.329 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCCc3ccccc3OCc3ccccc3)C2)c(=O)nc1O 1684398277 AGFCQVMGNKSHKH-UHFFFAOYSA-N 445.479 2.209 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1684863132 ICCOQUDBGMDTPD-RBUKOAKNSA-N 426.517 2.047 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690185619 BIYXWZVAQMFPHH-KNQAVFIVSA-N 433.622 2.361 30 10 IEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 1691579491 HFHVYBNTQSAJDB-COPCDDAFSA-N 438.576 2.381 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1692271551 HMWJFBRLGPTNIW-AVRDEDQJSA-N 443.573 2.239 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1692661658 INWMZNYYOIRODF-WMZOPIPTSA-N 433.507 2.358 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)cc1C 1693122019 SFBOUHMUNCKTGX-QFIPXVFZSA-N 443.527 2.167 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1C 1693151523 XOISSSRVCGVWAQ-KNQAVFIVSA-N 427.505 2.008 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1(=O)=O 1694086732 XRSGZYIWPADAEP-RHSMWYFYSA-N 444.561 2.294 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1694446825 XZXDQTSCZFNSIF-NRFANRHFSA-N 446.577 2.294 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1694744342 GNMAZMJOKKXTTR-FQEVSTJZSA-N 442.589 2.002 30 10 IEEE COCC(C)(C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1697731945 SGQPTKSUSCQNSS-WMZHIEFXSA-N 446.596 2.168 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705558826 JJRNPMVKVGDUJG-GOSISDBHSA-N 449.621 2.404 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1cnn(C)c1 1705611172 SEMGSCWHGBAHGJ-UHFFFAOYSA-N 440.577 2.064 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1705630103 GXJJDFIHWVIUFE-PMACEKPBSA-N 444.624 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCCCCC2)CC1 1705647429 DSVJCZXTQDTWMH-FQEVSTJZSA-N 443.592 2.223 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN2CCC[C@@H]2C)CC1 1705650296 ORXBKYVBVZUJFJ-IBGZPJMESA-N 426.609 2.461 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@@H]1C 1705825891 GVOVNZWSXYVGSA-INIZCTEOSA-N 426.550 2.455 30 10 IEEE CC(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1706311136 YBYNYDNDZXLQIV-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1706937586 NOBGVLWUQOQOQL-IRXDYDNUSA-N 438.523 2.268 30 10 IEEE CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1710796970 ORZZNZSXKSPMNO-IBGZPJMESA-N 437.548 2.244 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@@H]2C)cc1 1711884579 BXJNSNYXRJNRMS-SQGPQFPESA-N 427.505 2.267 30 10 IEEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1712388771 YUNDVVRPGCPLAV-UHFFFAOYSA-N 439.564 2.037 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)C1 1712875074 KFVUNXWKPLTEFC-HWPZZCPQSA-N 439.314 2.490 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1722317046 QBDFTEYDMVBZOW-IBGZPJMESA-N 431.562 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1n[nH]c(C)n1 1722377062 NNAFLOKIXHQFAR-UHFFFAOYSA-N 433.516 2.483 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCCC2)c1 1722386088 VJJIJEPCWGPJSQ-UHFFFAOYSA-N 432.528 2.238 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722603280 HWBJMXMHAAOUTM-ROUUACIJSA-N 425.599 2.294 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722607913 NGSFESNYURNOPD-QGZVFWFLSA-N 448.568 2.210 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1722704575 KUDKKHKHVNMQCE-NRFANRHFSA-N 449.559 2.468 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722737305 AIYSUMVNIQJWGT-ZDUSSCGKSA-N 441.483 2.159 30 10 IEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1722971609 HKMDEOCYALTKJF-QFIPXVFZSA-N 439.495 2.476 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1729608123 BLQGLPSVLLPOIU-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CC1=O 1730776118 FKMMFBCVTSNXIS-FQEVSTJZSA-N 447.543 2.442 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1740562176 IXXRCCUOLOOSIY-NCOADZHNSA-N 444.580 2.421 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(N(C)C)CCSC1 1740641756 FPLFHRQPLROJPU-HSZRJFAPSA-N 433.585 2.027 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)CCC)cc1 1740653467 NGKRCTVLIWMABS-FQEVSTJZSA-N 432.528 2.479 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[S@](=O)CC)CC1 1740699848 WHCROVABBQOJKQ-GDLZYMKVSA-N 435.981 2.034 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCc2noc(CC)n2)CC1 1740705318 FPXJFMLZEZNGJQ-UHFFFAOYSA-N 425.537 2.090 30 10 IEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740736414 KDHHKLIAKPJZEA-MZBDJJRSSA-N 447.337 2.431 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740847404 HPDPSQOKGUPAHR-RBUKOAKNSA-N 430.597 2.380 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1740938007 VFGWLWQIUITYSO-QZTJIDSGSA-N 447.561 2.025 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1740954556 BDTHPVVIJRSCOX-LJQANCHMSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCOCC2)C1 1740954937 JMNHIZUCZSOMFE-UHFFFAOYSA-N 438.557 2.221 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1741980797 FMZAMWSBOHEWSX-CVEARBPZSA-N 442.495 2.332 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)C(C)(C)C 1748671535 KENMHZZVWJLBSM-MYGHRHJXSA-N 443.621 2.457 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN(C(C)=O)C1 1748836266 SIPONVQCJASQNV-IBGZPJMESA-N 435.528 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O 1749129692 GQGYIMUAYMZLGG-HXQKEGBBSA-N 441.532 2.472 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749458232 ZYMJMUAOIMJIDL-RBUKOAKNSA-N 427.553 2.477 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1749551245 SYWNQHYNUMFXEF-QGZVFWFLSA-N 431.562 2.415 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749735832 AYLYKWYISOSZMC-RLAPIPATSA-N 444.601 2.375 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1749978464 DREUWIYWZGMMJJ-QUCCMNQESA-N 449.559 2.084 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2(O)CCCC2)cc1 1750383808 DKMKWSGJBIUEGD-GOSISDBHSA-N 438.532 2.126 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(C(N)=O)c2)CCOC1 1751015584 OGNZECAQLUJSRO-HSZRJFAPSA-N 438.532 2.206 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@H]2C1 1760147522 VEARWVZFEDWSQN-IBGZPJMESA-N 427.574 2.437 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCS(=O)(=O)NC 1760166587 JXKVJULBDUXWHX-UHFFFAOYSA-N 433.534 2.431 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCCC1(C)C 1760173111 JZLAMTWLPUPQHY-GOSISDBHSA-N 431.562 2.080 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760180754 KPULFXXUTOHGEJ-HMXCVIKNSA-N 443.617 2.397 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760183348 AVNNXSBAXHRRTD-CVEARBPZSA-N 435.981 2.175 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760188763 MLYWVIDNPBRUDK-OALUTQOASA-N 444.605 2.006 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCC1 1760194855 RSHMRJARPNRHTM-SFHVURJKSA-N 425.558 2.083 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](CC(N)=O)C1 1760313946 RDGPLZKFLPDMFC-UWVAXJGDSA-N 446.596 2.270 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)CC1 1760389676 QRZQHXCXMXWDNT-SJORKVTESA-N 441.623 2.053 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@H]1C 1760502532 BXKGIIJHCLDROT-MBSDFSHPSA-N 438.532 2.310 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1ccnc1C 1760503946 SGDSDVOWMJKTNO-UHFFFAOYSA-N 434.504 2.438 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1760504789 BVCASKMTBBGWLE-UHFFFAOYSA-N 432.528 2.237 30 10 IEEE CC(C)COCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1761148879 ANZAZTYMIAAIRL-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1767943402 DNPDOFBPVIKONB-WJOKGBTCSA-N 444.561 2.252 30 10 IEEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1768880981 PEGLBZOBCUPFEK-SFHVURJKSA-N 431.562 2.240 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(OC)cc1 1770044336 MBPADHLCYGGNIV-PXNSSMCTSA-N 440.548 2.236 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](OCCOC)C2)c1=O 1772880303 CGSZMNCERJOOAJ-OAQYLSRUSA-N 448.527 2.288 30 10 IEEE N#Cc1cc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)ccn1 1850682469 ANQVTFZGFCBWTH-UHFFFAOYSA-N 435.875 2.222 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 1851570754 FFVZHXKAOVSKOJ-AWEZNQCLSA-N 445.435 2.473 30 10 IEEE COCCN1C[C@H](C(=O)N(Cc2ccccc2)c2c(C#N)c(C(F)(F)F)nn2C)CC1=O 1852452841 KQKLPHXJDKCSCY-OAHLLOKOSA-N 449.433 2.339 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)c2ccccc2C(=O)N2CCN(C)CC2)c1 1852621882 GBIVIPMXSNINDU-UHFFFAOYSA-N 444.495 2.392 30 10 IEEE O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852788636 MXVNDXCVBVJKAQ-UHFFFAOYSA-N 442.419 2.171 30 10 IEEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)nn3C)C(=O)C2)C1 1853660170 RHLTUDGOMRVBNN-GOSISDBHSA-N 427.936 2.285 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccccc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644826 MRZCCUZTXJRXEQ-AWEZNQCLSA-N 431.901 2.202 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCOc1ccc(CC)cc1Br 1861689929 KOFAWJFJBBYELA-RDJZCZTQSA-N 439.350 2.435 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862744957 YMCLNYVMSSEKDX-BTDLBPIBSA-N 443.368 2.168 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862756802 RSZVDXMWDGUNTG-ADLMAVQZSA-N 428.397 2.268 30 10 IEEE COc1ccc(Cn2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1F 1870109600 ZLNBMLCUYTWPPF-KRWDZBQOSA-N 448.458 2.333 30 10 IEEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873595643 LRAAUMKXFIYAKI-UHFFFAOYSA-N 436.564 2.164 30 10 IEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C2CC2)cc(Br)c1O 1874518782 JBCBUUMBLFIVBO-NGYBGAFCSA-N 426.296 2.092 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)CC1 1889405712 XWTAYOZJSSGQNY-RUZDIDTESA-N 439.600 2.337 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)CC1 1890581409 IDYJFZKRFYOCAY-UHFFFAOYSA-N 425.907 2.490 30 10 IEEE C=CCN(CCC(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1988625101 LDCAVZQETMAODZ-OAQYLSRUSA-N 427.542 2.288 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060623735 QDSFNIICTCHYOW-LRECYKSDSA-N 436.358 2.203 30 10 IEEE N#Cc1cc(Br)cnc1N1CCO[C@@]2(CCCN(C(=O)C(F)(F)F)C2)C1 2174807694 FNWDOVQIVRTGKI-HNNXBMFYSA-N 433.228 2.476 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194174977 OBFPUOGLQGYDAE-MEDUHNTESA-N 446.176 2.430 30 10 IEEE CC1(C)OB(c2ccnc(NS(=O)(=O)c3cncc(Br)c3)c2)OC1(C)C 2206621645 NXPCNONOBMVERL-UHFFFAOYSA-N 440.128 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N[C@@H](CCS)C(=O)O)C1 2243699248 DUEWPKLZHGKRPG-INIZCTEOSA-N 438.546 2.330 30 10 IEEE CCc1nc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247908486 VHFIBWUAIXIBFL-NEPJUHHUSA-N 437.371 2.400 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401668 MICJKESVUCGWFD-DGCLKSJQSA-N 439.343 2.063 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255703377 RIFNASPJMKEXST-RYUDHWBXSA-N 430.232 2.108 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255825688 DFBNBMPMHOQAGL-UONOGXRCSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267132528 QUYODKJTNGTEFS-XLIONFOSSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267132573 RFXSVQUMXNNTJM-MJGOQNOKSA-N 438.381 2.217 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267137121 KTWQKAAQIRDJRD-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C 2267142089 PIHVCVWLFJEPQZ-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@@H]21 2267483269 PZKWYWVBAGPKHK-CVEARBPZSA-N 448.325 2.039 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2267525772 JGUIIVNKPKHMIC-LSDHHAIUSA-N 446.357 2.036 30 10 IEEE CN(CCCCCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2267578308 HOMVXYANQORWSH-UHFFFAOYSA-N 441.385 2.146 30 10 IEEE C=C[C@H]1COCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br 2285407970 XVTQLHDPGTUHSP-VIFPVBQESA-N 426.130 2.369 30 10 IEEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1 2296088677 KQGFZMVGADOEEK-FQEVSTJZSA-N 425.485 2.472 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2310284280 WXQIGMRRLUNARD-VHDGCEQUSA-N 432.330 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319742300 VSHKHHGHDCAHGP-QKKBWIMNSA-N 439.362 2.230 30 10 IEEE COc1cccc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1OC 2329039884 AUUDGBMNFHNGFB-MRXNPFEDSA-N 447.561 2.376 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccccc1 21081377 BQJOYWJQUIQAAB-BHGWPJFGSA-N 435.469 2.255 30 10 IEEE CC(C)NC(=O)CN1CCN(/C(=N/c2cccc(C(=O)O)c2)NCc2ccccc2)CC1 46021855 OPRZMRFLOUHIPP-UHFFFAOYSA-N 437.544 2.304 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)c(C)c3)n[nH]2)cn1 59886751 CQAXCLCPDPCDCQ-AWQFTUOYSA-N 428.522 2.441 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1 102757658 AMXZOFBSVJWCMC-GOBJLOIFSA-N 426.517 2.419 30 10 IEEE C=C1[C@@]2(C)C[C@@H]3[C@](C)(O)C4=CC(=O)OC(C)(C)C4=CC[C@]3(C)[C@@]13C(=O)O[C@H](C)[C@]3(O)C2=O 257371037 IJLFVBWYDPGYDN-FETFLUBLSA-N 442.508 2.164 30 10 IEEE biogenic C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 303467176 IDKVIKYEEMGCRW-KRWDZBQOSA-N 447.507 2.271 30 10 IEEE COc1ccc(F)cc1CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 427088720 KJUHFOJNADDJDG-UHFFFAOYSA-N 427.823 2.800 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 437014744 AXGGEXIWRRYMDH-NHYWBVRUSA-N 425.279 2.272 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)ccc1OC(F)(F)F 443297158 MYLMSIRJAKYAGS-OAHLLOKOSA-N 432.358 2.317 30 10 IEEE CC(C)(C)[C@@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 464171421 VETWXDABTDGNLB-QGZVFWFLSA-N 444.351 2.247 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1cnc2c(cnn2C)c1=O 500093720 RFBUIAUQDQMKBD-UHFFFAOYSA-N 434.269 2.246 30 10 IEEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 504985498 OBRZCVDCVSXVEV-HXUWFJFHSA-N 438.507 2.265 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 508437397 QPHRMSZNPZIKEL-UHFFFAOYSA-N 442.541 2.437 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1-c1ccccc1C#N 518704215 AGYVOIMEQIJXHN-UHFFFAOYSA-N 446.557 2.200 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)c(OC)c1 522109386 QHURQOJTNNEKSJ-UHFFFAOYSA-N 426.538 2.455 30 10 IEEE N#Cc1cc2c(nc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)CCCC2 539375085 XOQOQPTYRWRTCN-UHFFFAOYSA-N 427.482 2.406 30 10 IEEE Cc1csc([C@@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 541630093 DQLMCYSWYAGTOG-AWEZNQCLSA-N 433.559 2.143 30 10 IEEE CS(=O)(=O)N1CCC(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542958671 GMRDKQYVCHYXHY-UHFFFAOYSA-N 436.925 2.190 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 549355643 YDYPWAZLMMYCSS-HSZRJFAPSA-N 438.532 2.262 30 10 IEEE C=C(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(F)(F)Oc1ccccc1 549666274 QQMNMJMVRGWLEV-HNNXBMFYSA-N 441.504 2.453 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 553359680 BSNWQOSHUNQHDP-UHFFFAOYSA-N 442.273 2.009 30 10 IEEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCCN(CC)CC1 569649980 IAZUETLPDISIGN-UHFFFAOYSA-N 444.605 2.448 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 619562833 XOASFPOYNPPPLP-MSOLQXFVSA-N 440.548 2.436 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](n2ccnc2)C1 728540460 AXRRDOGTQLEONR-QGZVFWFLSA-N 429.546 2.346 30 10 IEEE C#CCN(C(=O)CSc1nnc(-c2ccccc2C)n1CC)[C@@H]1CCS(=O)(=O)C1 729331273 LGTNVIHCTUQTHO-MRXNPFEDSA-N 432.571 2.014 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670087 IGAWWEZLWJONGN-UHFFFAOYSA-N 434.546 2.395 30 10 IEEE C#CCN(CC(=O)NCc1ccc(COc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 731212752 KINKFGKQSLFAIR-OAQYLSRUSA-N 426.538 2.004 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)c1 747870789 MLVLYXYHKNUOGB-UHFFFAOYSA-N 432.933 2.424 30 10 IEEE COc1ccc([C@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)NC(C)=O)cc1 754380761 WKHSIGFFFBUWEQ-MJGOQNOKSA-N 430.505 2.234 30 10 IEEE CC(C)OCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 758051053 LDRAONCNHPLLIM-QGZVFWFLSA-N 442.532 2.389 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)cn3)c2=O)c1 761841214 RLPNJRIBLODJRM-UHFFFAOYSA-N 425.513 2.456 30 10 IEEE COCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 764560949 HTLNZHGBSLKBKJ-UHFFFAOYSA-N 435.483 2.465 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc([C@H]4CCCOC4)c3)CC2)o1 767009803 XICPWSNCTAEHKJ-IBGZPJMESA-N 438.484 2.254 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccc(OCCN3CCCC3)cc2)cc1 771658953 KECYWNRVBBTGJY-UHFFFAOYSA-N 441.553 2.349 30 10 IEEE C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)n1cnc(C#N)n1 798350004 CZCYZEJCDNKSGU-KYJZABPNSA-N 430.877 2.217 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4cccc(C)c4)CC3)cc2C1=O 800716941 NYUZTZILMMTGPY-UHFFFAOYSA-N 447.491 2.283 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 802563005 GRQXCKKQJJYGKZ-RTBURBONSA-N 446.596 2.490 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 802600162 MIAMJQFBMPTESN-MSOLQXFVSA-N 440.504 2.215 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1C#N 803534781 JHVYSBHRTITBSZ-QGZVFWFLSA-N 430.505 2.089 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 805586804 GUXVOMIYLYNWKC-INIZCTEOSA-N 430.457 2.353 30 10 IEEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO1)[C@H]1CCc2ccccc21 812272534 KLTFNWRBEPWWSY-QRFRQXIXSA-N 443.573 2.194 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2N=Cc2ccnc(C)n2)c1 814727121 IZSPRTSLUULCGW-UHFFFAOYSA-N 431.547 2.245 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 916179619 HMSVIPRSJLYNSS-UHFFFAOYSA-N 426.498 2.448 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2COc3ccccc3O2)cc1 916715621 SPXAGZKSBCBWLS-CLXZYQIKSA-N 444.513 2.461 30 10 IEEE COc1cc(/C=C2/NC(=O)/C(=N/S(=O)(=O)c3ccc(NC(C)=O)cc3)S2)ccc1O 1081805928 FIGVYSWDFPXCSS-HQYQRZIKSA-N 447.494 2.308 30 10 IEEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1 1083987618 RSKSKSMDQAKMCY-UHFFFAOYSA-N 426.458 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1 1116878461 SSEJYUFARRKRDY-UHFFFAOYSA-N 428.533 2.481 30 10 IEEE C[C@@]1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)Oc2ccccc2NC1=O 1141569458 IWDOOZRNNRAUIW-QHCPKHFHSA-N 448.458 2.304 30 10 IEEE C=CC1(CC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CN(C(=O)OC(C)(C)C)C1 1143159256 ARQCDBZOSPQUFR-JOCHJYFZSA-N 442.516 2.171 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1154040315 FKVDCWPLQWFUJS-UHFFFAOYSA-N 447.557 2.071 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)nn1 1162480733 QSWHIYOXZUPIKZ-GOSISDBHSA-N 440.504 2.172 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](CO)c2cc(F)ccc2F)CC1 1176925662 CTKUXFUKVZSFSQ-NHCUHLMSSA-N 432.446 2.136 30 10 IEEE COc1cccc([C@@H](O)C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1 1196657892 OKSMDBQRFCLGAE-UPVQGACJSA-N 428.577 2.133 30 10 IEEE N#Cc1cn(CCNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c(=O)nc1O 1197676507 GOKBWTDFCLHPSA-UHFFFAOYSA-N 430.877 2.343 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1 1228535761 AMXJSWVFAUJNCT-GOSISDBHSA-N 442.541 2.174 30 10 IEEE CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)ccn1 1264019577 ZTZQMLAILRJXLO-UHFFFAOYSA-N 443.529 2.438 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2ccn(C)n2)c1 1286311531 NICWAWNPSMZPAZ-LJQANCHMSA-N 447.543 2.205 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1286338068 DUSRLMFZRIRSQQ-UHFFFAOYSA-N 442.951 2.380 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1286452645 SAZTUWYAESLGOH-INIZCTEOSA-N 428.562 2.462 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1286608860 UVLLRVMJXWVFEC-FXAWDEMLSA-N 441.532 2.346 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1286717427 XVONGKIZJCRFMK-FQEVSTJZSA-N 431.928 2.491 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1286731190 CHVPWKPYMHHGBW-IYBDPMFKSA-N 439.582 2.272 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(F)(F)F 1286781947 FTVAMGSCWXLFHT-UHFFFAOYSA-N 445.467 2.039 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286788613 ZSPYUWXJHRLULG-HXUWFJFHSA-N 442.539 2.283 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1288530823 ICYOEZZZXZKPSX-BBRMVZONSA-N 445.911 2.237 30 10 IEEE C/C(=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)CN1CCOCC1 1291723411 WDBYHEKOFJXTQV-WEXNPIKLSA-N 448.589 2.497 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc2ncc(CCO)cn2n1 1292642084 PYQJEMQPWICDJV-UHFFFAOYSA-N 434.269 2.389 30 10 IEEE CCn1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1293164691 KNVBEFYUPWZCBV-GFCCVEGCSA-N 437.522 2.043 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCSC)CCN2C1=O 1295890888 RKELEKLGVDDCFN-QGZVFWFLSA-N 439.545 2.043 30 10 IEEE CCO[C@]1(c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CC(C)(C)O)CCOC1 1296680015 UAFPKQDUXIQBET-SELNLUPBSA-N 425.533 2.445 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCNC(=O)C1CCC1 1297982972 XUAHBLDRMPMPPR-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CC[C@H](COCC(F)(F)F)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1298388725 LHOCKCBOAHPPBN-HIFRSBDPSA-N 426.395 2.237 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 1299999719 SKSMGEFKTXWABX-ZHRRBRCNSA-N 428.489 2.329 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300479976 WKZHCNJGLCITRW-FHWLQOOXSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300504914 VZRJNDALDCDFMM-HZPDHXFCSA-N 428.624 2.219 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 1300682092 DXWXNKJDTXQFQQ-NQIIRXRSSA-N 443.523 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2([S@](C)=O)CCC2)CC1 1300718387 MIZKNJBOUOEGQO-HKBQPEDESA-N 443.573 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN2CCC)CC1 1300724965 DTVFGFSNZGBOBS-LEWJYISDSA-N 442.608 2.360 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300766564 GEZUUZCGYIXIEB-GOSISDBHSA-N 446.646 2.159 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1300843075 ANNUKTHLMPUBMN-XJKSGUPXSA-N 437.386 2.448 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1300972264 JNHUCIZLXOFOFA-UYAOXDASSA-N 430.597 2.462 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)CC1 1301097126 PIDZRNYUQSPOLM-IYBDPMFKSA-N 439.582 2.250 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301165900 MJRNSIZVZZWSGQ-WOJBJXKFSA-N 445.589 2.224 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1301188849 OWQKMGUGIRUCOY-INIZCTEOSA-N 447.552 2.449 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301617799 IHCFPNPSMKFYFR-SFHVURJKSA-N 442.589 2.375 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1nnnn1CC1CC1 1301974182 NROMZCOPPJJNRA-ZDUSSCGKSA-N 427.463 2.188 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCC=CO1 1302038900 RNJZULYWRSABTR-YJBOKZPZSA-N 440.504 2.230 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1313096379 ABFDENFFRDPYTQ-SJLPKXTDSA-N 434.541 2.078 30 10 IEEE CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1314750321 LOXALIUTKAIXOV-UHFFFAOYSA-N 435.444 2.458 30 10 IEEE C#CCN(C(=O)c1nn(-c2ccccc2F)cc1Br)[C@H]1CCS(=O)(=O)C1 1318303273 ZTUXIGLHVLNUPS-LBPRGKRZSA-N 440.294 2.036 30 10 IEEE CC(C)CN(C(=O)CC1(C#N)CCOCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1348034590 FRLNVYFBOMUHPQ-UHFFFAOYSA-N 439.516 2.279 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CC 1359025592 TVQQGCUJSCMQKU-RXVVDRJESA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)Cc2ccccc2)CC1 1359034682 ADPAHCMJZUOUMW-QHCPKHFHSA-N 436.604 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1359041329 SWRBHNMSKXZPGB-UHFFFAOYSA-N 428.581 2.016 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359060489 WSLKCFXJJKVUQB-JOCHJYFZSA-N 443.548 2.004 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1 1359066011 KUXMBEPKYHNOHF-JOCHJYFZSA-N 426.517 2.496 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)CC1 1359164950 DDOZYRVGQCNPIZ-MRXNPFEDSA-N 439.582 2.251 30 10 IEEE C=CCCOCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1359229733 SFCVLASZRSVJJS-DZGCQCFKSA-N 442.492 2.293 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1359292219 KMAVPSRXKBRYOK-ULQDDVLXSA-N 447.511 2.100 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1359465908 NNQSIHWERBPQKM-YVHKJVDXSA-N 439.520 2.249 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)C(=O)OCC 1438403038 KCJXZRURMMFKOB-LBPRGKRZSA-N 431.779 2.224 30 10 IEEE C[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C(=O)OC(C)(C)C 1452231736 KHWCBFRKXSTPPJ-WBVHZDCISA-N 449.573 2.332 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 1452936812 SAWJRDLFGAGWRJ-KRWDZBQOSA-N 443.500 2.258 30 10 IEEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)c1nccs1 1457333543 HMDUATPJKHKALT-GOSISDBHSA-N 447.314 2.339 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1460217660 YCGOHKLWZBNSAQ-INIZCTEOSA-N 446.573 2.363 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 1471032539 HIWZRMJWSSFIMU-HXUWFJFHSA-N 444.495 2.098 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](n3cncn3)C(F)(F)F)C2)C1 1471110983 MNQHMEPFKDWJOF-HPGRBHQUSA-N 442.442 2.285 30 10 IEEE CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1471150004 HYDOBNUIJFVFFZ-JGWKNBOWSA-N 442.299 2.108 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc2c1NC(=O)CO2 1471439408 UGXXVRIARDSKAF-OAHLLOKOSA-N 442.497 2.254 30 10 IEEE COC(=O)[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 1473830550 AIOIRLFHLVORRD-MRXNPFEDSA-N 430.461 2.308 30 10 IEEE CCN(CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1501951788 GUKXPDHQVBZTSI-UHFFFAOYSA-N 448.579 2.004 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(C)cc1 1507653106 LLVCZTJSJDIMJJ-OALUTQOASA-N 426.542 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507669718 QJMFVOYRAGTCAF-FQEVSTJZSA-N 437.519 2.269 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507669720 QKODNUAYBQEDJI-DHIUTWEWSA-N 433.556 2.146 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)COC)CC1 1507748818 MUNDSAZEFTZGPP-UHFFFAOYSA-N 427.574 2.169 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507869772 XKWVEZJKDPJSGQ-AUUYWEPGSA-N 440.928 2.170 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507939199 NDXFTVFZQOBUOK-UHFFFAOYSA-N 446.559 2.441 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1508090882 PXTQIMDRNZEJCL-IBGZPJMESA-N 427.553 2.422 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1508106988 WORQMCXJZYAUFM-BBWFWOEESA-N 449.577 2.115 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CC)OC)C1 1508118233 RBHKMPMBGNUWSC-IAGOWNOFSA-N 438.532 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2ccc(OC)cc2C1 1508141355 MWPWEOWSKMUNKX-SFHVURJKSA-N 446.573 2.344 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1508312702 BZKQIGAAESPBEK-QPHCHLROSA-N 442.589 2.469 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 1509223273 IFSQODVYVONBAX-JOCHJYFZSA-N 438.576 2.476 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)c1 1510710884 FBHIAXVPANWIIJ-KRWDZBQOSA-N 426.521 2.106 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1512726611 DNEGKNMEPFZNOF-JPEVHGAISA-N 426.521 2.462 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)cc1 1526379791 GQDLROGCVAETGU-QGZVFWFLSA-N 429.542 2.388 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)CC2=O)cn1 1528065654 IHTKGTNDNUWERH-WMLDXEAASA-N 435.406 2.282 30 10 IEEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1536664921 OSRWHMBIMJPLBH-AUSIDOKSSA-N 436.443 2.064 30 10 IEEE C=CCn1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)nn1 1536910301 JFRYPMUBKPBVPB-UHFFFAOYSA-N 431.562 2.278 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1(=O)=O 1538992256 NWRSXQLBAKAUJV-DOTOQJQBSA-N 432.546 2.388 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1539044382 AIMREVIZZOPGQU-UHFFFAOYSA-N 441.605 2.405 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539081880 HBOWVIBWWDJFMT-IBGZPJMESA-N 445.589 2.439 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2csc(COC)n2)CC1 1539443955 CEFLELHGXLVQCF-UHFFFAOYSA-N 438.557 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1539466846 HZFCDJDKBYKYNH-WVMBUTMQSA-N 427.593 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1539542230 WMIZGNXHPOLUDW-WWPVKYPJSA-N 431.581 2.032 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539772073 DHTPRWFDEDJVIO-GOSISDBHSA-N 438.020 2.165 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1540069829 YLPAFVPYYZIFOK-DLBZAZTESA-N 438.532 2.227 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1540121811 WZFVEQUMPMFYOA-RBUKOAKNSA-N 446.573 2.418 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)on1 1540126643 IUYYPXJOPPMUOH-MRXNPFEDSA-N 430.534 2.426 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1540868492 HQAMPXVRAXJHRV-DLBZAZTESA-N 427.553 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OCC)c2)C1 1540891673 XZMBEFJELLEYRX-QZTJIDSGSA-N 441.532 2.466 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOC[C@H]1C 1540898196 CJRBIAAVUFOMEK-MRXNPFEDSA-N 442.545 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1540903192 AJLQKFDOKRQORL-QAPCUYQASA-N 431.518 2.130 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1540907887 LOKUIEDIBLSGFS-UHFFFAOYSA-N 445.568 2.294 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)CCOC1 1541877532 KUAFLDIQYYGSHD-TXTKFYIRSA-N 446.596 2.169 30 10 IEEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCOCC(F)F)C2 1542021671 GLEZOJOGYWLOOC-HXUWFJFHSA-N 432.431 2.129 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(C(N)=O)nc2)cs1 1542912587 SPDVSHYEQNLYIX-UHFFFAOYSA-N 436.545 2.306 30 10 IEEE CCc1nc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 1546376281 QOLLLQFRLJLHKS-DYESRHJHSA-N 446.577 2.309 30 10 IEEE CNC(=O)[C@@H]1CC2(CCN(C(=O)COC)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548379746 HEFZDPLBPFKSTE-KRWDZBQOSA-N 438.450 2.157 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCC(=O)NC1CC1 1554162641 FANSQRZCIXNXPT-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C1 1555710264 KFOTWTPSGIKBNA-LJQANCHMSA-N 435.532 2.396 30 10 IEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1NC(=O)OC(C)(C)C 1556131941 AOYPWFIDQFQWEZ-OCCSQVGLSA-N 434.497 2.256 30 10 IEEE CCN(C)C(=O)[C@@H]1CSCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1584479691 SHMQBZINSIDVOX-INIZCTEOSA-N 437.363 2.137 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3)C2)C1 1584531299 VKFOKHZWIXSYRA-FZQSFKQPSA-N 438.528 2.473 30 10 IEEE C[C@@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1585289913 ANUJSPYEJCKLSO-QMHKHESXSA-N 426.517 2.022 30 10 IEEE C[C@@H](CC(=O)N1CCC[C@](C#N)(c2ccccn2)C1)NS(=O)(=O)c1cccnc1Cl 1587187446 WDEFJUKXNNXKPR-MGPUTAFESA-N 447.948 2.271 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1587316767 CQXFZKJVTVBCGG-NHCUHLMSSA-N 441.576 2.210 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1587554915 AGWXMBRRWJCIOI-SJORKVTESA-N 444.967 2.040 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587718934 QUXAOJAKCAQOQF-UHFFFAOYSA-N 446.533 2.175 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1587842728 UYVBAMBSHSIMDO-NRFANRHFSA-N 448.552 2.171 30 10 IEEE C#CCCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587894500 VEJMVOAQMBHVHA-CALCHBBNSA-N 430.553 2.164 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588065434 YMZGRKFSRUMNQH-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCC(OC)CC2)CC1 1588751817 NLMCBDMSCRVZHZ-SLXFGWRHSA-N 445.608 2.279 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1589296200 PPCYOLBRGHALTF-ZNMIVQPWSA-N 442.358 2.158 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1593884110 BUPOWHGTVQUXCJ-INIZCTEOSA-N 449.914 2.401 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1594013038 BEGQSOMNFMSXBI-YWZLYKJASA-N 437.566 2.162 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)=C(Br)C1 1595569620 KUXSCGXVIRJJDU-UHFFFAOYSA-N 448.369 2.321 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCc1ccco1 1596807121 RVSNBFJVFPPNHH-HNNXBMFYSA-N 436.472 2.222 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1597707843 SHYIHOQISSLRHW-VCJKXJKGSA-N 443.529 2.478 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccc(C(=O)NCCO)cc2)C1 1598284534 MYIXDHZFOAHLKY-UHFFFAOYSA-N 443.301 2.118 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O)N(C)C1CC1 1611512218 VHHYPWRTTHQEIT-MRXNPFEDSA-N 430.578 2.170 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@](C)(O)c1cccs1 1614028450 DFOWOYSGZLZJNC-VFNWGFHPSA-N 438.561 2.186 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1616060820 WIGRDYVVNNONFT-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1617376918 QNCDOKQNNZESMQ-OAQYLSRUSA-N 448.568 2.467 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(O)CCOCC2)c1 1619130439 BQMGLDLWAMHRIS-OAQYLSRUSA-N 445.495 2.336 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1620053486 NPKDCINEZZUDTM-IBGZPJMESA-N 440.548 2.363 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1637389014 AMIMYBXQSISUPC-CYBMUJFWSA-N 434.345 2.048 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCS(=O)(=O)[C@H](C)C1 1639207180 UJPZABPPHOXIPB-DGCLKSJQSA-N 445.335 2.180 30 10 IEEE C#CCN(CC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1641003039 VXHDOBOSMQZHFB-HNNXBMFYSA-N 439.434 2.493 30 10 IEEE C=C[C@](C)(O)CC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1642061683 YQSCSOONPOXNHN-SBUREZEXSA-N 447.580 2.500 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1)c1cc[nH]n1 1642299944 PVQHRSUPZTZVDV-HKUYNNGSSA-N 436.896 2.221 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 1648154379 YQNHZDIFRMOAIA-XKUVRLAISA-N 448.317 2.176 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)COc2ccccc2C#N)CC1 1648309370 HGJPTGNYZSPESB-SFHVURJKSA-N 442.516 2.007 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3cnccc3C)nnc12 1648907990 RICBIVQXLHQTCW-UHFFFAOYSA-N 434.525 2.385 30 10 IEEE CCC[C@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)C(=O)N1CCc2sccc2C1 1676936444 FHDQTIOGXAMRRX-INIZCTEOSA-N 432.546 2.290 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)CC1 1679051791 QFBIXWNELMTCAK-LJQANCHMSA-N 432.546 2.233 30 10 IEEE CSc1ccc(CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1C#N 1682374295 DFXULDQVZTXZDC-QGZVFWFLSA-N 439.607 2.034 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1cccc(C#N)c1 1687594889 NJWYOPRJJRAUNJ-WMLDXEAASA-N 427.505 2.139 30 10 IEEE C#CCCCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1689905875 CUSOHVQAZFACGJ-RDPSFJRHSA-N 445.608 2.423 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1689921224 ZBYASHTWQSDKET-QGZVFWFLSA-N 438.532 2.416 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1690011247 HUBHHUQURAWYME-QHCPKHFHSA-N 440.551 2.418 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1690100881 GFXGXHQQFZDMAF-QHCPKHFHSA-N 448.483 2.181 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1690190519 XLUVJEOUEPWYQP-WAOWUJCRSA-N 436.626 2.145 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1690288463 ZWEXAFFBWKLPDN-HZPDHXFCSA-N 445.536 2.059 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690673748 CLOCREMEGPZLMG-QGZVFWFLSA-N 426.550 2.011 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690738500 PAOCUMSAKQQEKV-MRXNPFEDSA-N 436.607 2.025 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)OC)C1 1690750032 YAFUWRMNGCLIBX-CQSZACIVSA-N 435.575 2.188 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705571633 DNVACKCKSFAPSV-RTBURBONSA-N 442.608 2.157 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1ccco1 1705611951 UIPAZHRYSFBTJP-UHFFFAOYSA-N 431.456 2.076 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1COc2ccccc21 1705630634 AUEFNSMZQWQZLT-UEXGIBASSA-N 426.517 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCN(CCc3ccccc3)C2)CC1 1705645136 LYVMHXQQZKLMQZ-JOCHJYFZSA-N 434.588 2.117 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](OC)C2CC2)CC1 1705649873 GWPKZRAFBNMLHS-QFIPXVFZSA-N 435.572 2.454 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705729045 JDONLMKUDCRHPV-ROUUACIJSA-N 426.521 2.381 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1705739105 VMYCHZIIDBUYIC-UHFFFAOYSA-N 438.507 2.257 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705906666 LUARRJSALYDDOL-SJORKVTESA-N 430.528 2.217 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705907215 DSMVNWODARNCAR-PXNSSMCTSA-N 427.549 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1705933734 QFTGKDMSILRNGX-CQSZACIVSA-N 439.969 2.018 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1709841030 GGBPTVSTWQQHGA-NRFANRHFSA-N 444.561 2.005 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCOC2)cc1OC 1710521786 VELPUAKSPCGNKN-GOSISDBHSA-N 425.489 2.428 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1712784871 GUMGPLQMMAGKMN-GOSISDBHSA-N 449.602 2.210 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccccn3)nnc2N(CCO)CCOCC(F)(F)F)o1 1712880736 GIOFPGYVRSGMRA-UHFFFAOYSA-N 436.394 2.231 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1722343239 FRYINJDXGDKXQA-JOCHJYFZSA-N 446.573 2.003 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC(F)F)c1 1722371465 XIXHPPKOHXKASY-UHFFFAOYSA-N 437.410 2.043 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1722396285 XFYDYZGNHOELLN-UHFFFAOYSA-N 444.539 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[S@](=O)CC)CC1 1722443633 XXPBNNQGXPQFCC-WJOKGBTCSA-N 441.601 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(F)c(C)c2)CC1 1722447601 KSIRQEZGJXLULM-IBGZPJMESA-N 425.508 2.244 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722492185 AMJWGRKBCNOTEG-HZPDHXFCSA-N 426.359 2.339 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722592245 WPBOOMSGLBNEIB-KBPBESRZSA-N 442.486 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCOCC2(CC2)C1 1722749648 IADFIKOPENLZTH-UHFFFAOYSA-N 432.546 2.171 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC[C@@H]1CCCCO1 1727602660 FYNRTWSESAHIIV-SFHVURJKSA-N 426.569 2.430 30 10 IEEE CCCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@](F)(C#N)C1 1728207478 HCHDYCFNYQVNJQ-NRFANRHFSA-N 430.484 2.224 30 10 IEEE CCOCc1nnc(N2CCC(N3CCN(C(C)C)CC3)CC2)n1Cc1ccc(C#N)o1 1729027437 ZPNQOUQEJQMDKD-UHFFFAOYSA-N 441.580 2.322 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1CCN(C(C)=O)CC1 1730943233 FTXOCXVBUZRXJT-SFTDATJTSA-N 444.580 2.391 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1740613834 VPIRZMNEQKCNEF-UHFFFAOYSA-N 443.511 2.078 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1740639307 ACVZGSCKEQGMEC-ZIFCJYIRSA-N 438.553 2.186 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1740661601 GHLHLYJFLFYLOA-CRAIPNDOSA-N 433.603 2.378 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1740674489 IVVGDCOMYZHEOP-UHFFFAOYSA-N 437.953 2.006 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)C(=O)NC)CC1 1740697482 GGJUNKFCTCTEBL-UHFFFAOYSA-N 446.502 2.074 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)C1 1740767237 NJAUKQNXHQTRLJ-VGOFRKELSA-N 441.532 2.173 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740790888 YTSVOIVSWJEZPE-JOCHJYFZSA-N 427.505 2.229 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)c2occc2C)CC1 1740827665 GANVXVSIUXBBKT-UHFFFAOYSA-N 426.521 2.278 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1740882672 UGDAESQKHRWLAJ-GOSISDBHSA-N 441.532 2.271 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CC)C1 1740884973 SJDYHONSGJWZEC-KRWDZBQOSA-N 448.593 2.446 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 1740918768 OLXZXLVQWCAKRZ-SFHVURJKSA-N 434.500 2.445 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](COC)C1 1740960040 JLRLMYWXWOROBJ-YLJYHZDGSA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 1740964145 JBUZNYVGGJPNAH-UHFFFAOYSA-N 436.516 2.180 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 1740979590 AOTYXONNPYHUEN-IXDOHACOSA-N 434.487 2.468 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)C1 1740982855 XQPROKUODHUHAF-IAGOWNOFSA-N 437.541 2.014 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1741003679 AGAXTPOUJBVEPU-OAHLLOKOSA-N 427.621 2.176 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC=CCC1 1741674903 JZZPDIRHVLUYJE-GOSISDBHSA-N 434.548 2.366 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1747827594 NUBDTNGFZOTNRW-SFHVURJKSA-N 444.561 2.070 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1OC 1748635241 PMOLCAHRGOJJNS-OAHLLOKOSA-N 427.505 2.046 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1748710532 SMMIUQOGMQGRAB-OAQYLSRUSA-N 441.624 2.028 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1748772847 QAEPAEGNSXKLIJ-LLVKDONJSA-N 446.396 2.024 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748811423 GRFDANQGAHFZQN-SFHVURJKSA-N 431.562 2.172 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748812607 XVJMNPXAUXHCPH-SFHVURJKSA-N 445.589 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1748839017 MDLUJOKKYVEMOC-IBGZPJMESA-N 430.512 2.427 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1748855622 FEOABALSGYEXBS-LJQANCHMSA-N 439.564 2.468 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1748915463 UVHUDATZIFQVGZ-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CC=CCO2)CC1 1749003648 QSFFDNDHHQQOKW-NRFANRHFSA-N 435.528 2.265 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1749060269 MZIWGGXLMABUAZ-GOSISDBHSA-N 445.300 2.411 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749219883 VXLNRYJTRWPDTI-FXAWDEMLSA-N 438.536 2.375 30 10 IEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1749269824 XJIHUWBYLMANBN-INIZCTEOSA-N 426.926 2.414 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749284827 OWCCKNKKLYTMGD-MSOLQXFVSA-N 430.940 2.231 30 10 IEEE C=CCCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OCC)CCOC1 1749407989 CKGPNOWBHURMLG-QFIPXVFZSA-N 427.553 2.403 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1749488968 PQDSOAOUZLKILX-MJGOQNOKSA-N 433.578 2.345 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749666220 JIZXMCGNOQEXJJ-ZIAGYGMSSA-N 431.566 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C)o1 1749730607 KHECSHRFMXVXDT-UHFFFAOYSA-N 447.517 2.144 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](F)(C#N)C1 1749737991 BVFIJPFHXWBEGK-NRFANRHFSA-N 442.520 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1749740803 YYTHEDXWRADHIE-QFIPXVFZSA-N 446.573 2.094 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)C[C@@H]1C 1749898598 IDNWNAPZLAOFGN-HNNXBMFYSA-N 438.454 2.448 30 10 IEEE COCCOC1(Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1750027542 AMIVQSXJUQKAEF-QGZVFWFLSA-N 445.495 2.025 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCS(C)(=O)=O 1750751853 BLFOAQOCAUHXJQ-UHFFFAOYSA-N 430.578 2.110 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752726057 HQVYWKVQOGORBV-KMAZBDISSA-N 428.537 2.325 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1760182636 HNGFOUWXIWVWSK-GOSISDBHSA-N 441.582 2.339 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1760186500 OBTNSVRGRYSNLN-LLVKDONJSA-N 430.427 2.072 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760189556 PXTJGZAANMOIGO-MSOLQXFVSA-N 431.562 2.028 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(O)CCOCC1 1760246001 PZSXMUKEUZSYNH-UHFFFAOYSA-N 449.349 2.335 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760286057 ALIWWFSYNWGWGL-UHFFFAOYSA-N 434.654 2.176 30 10 IEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@@H]2C1 1760345801 UWAMJTVRZVNEDB-IBGZPJMESA-N 446.596 2.490 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760361754 ROUUWJMIYZQMOQ-INIZCTEOSA-N 438.525 2.212 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760427437 AJGWNMNIWYOCPB-UTKZUKDTSA-N 448.593 2.022 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc2c(s1)CCCC2 1760503532 LIKGVBVSZJCWKS-INIZCTEOSA-N 430.578 2.446 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1760529243 AOSZYPBQBKRUMR-UHFFFAOYSA-N 425.533 2.454 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](CC)C1 1760557656 SPOUWRQXKHZRLJ-QGZVFWFLSA-N 438.623 2.072 30 10 IEEE CCc1nc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cs1 1762797596 AKMLCOUXFCLXFN-JXFKEZNVSA-N 432.550 2.115 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1769379748 GHPZYVMNYININL-UHFFFAOYSA-N 446.577 2.293 30 10 IEEE COc1ccc(C(=O)N2CCC(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2)cc1 1851358084 KRVVVGPSEFBRMM-HXUWFJFHSA-N 436.468 2.178 30 10 IEEE N#Cc1ccc(C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1F 1853184386 KLSGUHXCJFURAO-UHFFFAOYSA-N 426.429 2.067 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)C1=O 1854207700 MGUWIZWFPZLUGY-ZWKOTPCHSA-N 426.904 2.348 30 10 IEEE CCCCCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cccn(CC)c1=O 1861280169 LIFXHTGZJBAFCQ-LJQANCHMSA-N 434.581 2.489 30 10 IEEE COc1cc(C(=O)N[C@H](C)C(=O)N[C@H](C#N)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867794147 GUJVXTPQHLZTAU-CZUORRHYSA-N 426.429 2.420 30 10 IEEE CCCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874336848 DXJQAOVDMWLDHU-IMQYADFFSA-N 444.561 2.251 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@@H](COc3cc(C#N)ccn3)C1)CS2 1891162406 OIPISZMAKFPXTI-QZTJIDSGSA-N 439.541 2.481 30 10 IEEE CC[C@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1962358895 SSSPGFDSESHONM-CQSZACIVSA-N 432.543 2.323 30 10 IEEE C#CCN(CCOc1nc(C)nc(I)c1N)C(=O)OC(C)(C)C 1986535079 KABLEKICTGAMIC-UHFFFAOYSA-N 432.262 2.221 30 10 IEEE C#CC[C@@H](C)C(=O)Nc1c(I)ncnc1I 1991299050 YCEWRPAHAKIWRA-ZCFIWIBFSA-N 441.010 2.284 30 10 IEEE C=CCC1(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2010226932 HWLCNVPRLHQLAW-HZPDHXFCSA-N 439.553 2.144 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634792 DNGJRKRSIYVTBV-SJORKVTESA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754355 MEMLYBLTUOWVAY-NYHFZMIOSA-N 435.374 2.280 30 10 IEEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661194 VTZUTDJFLVEHAR-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124516443 RVDQEXNRZXVWKK-GOSISDBHSA-N 446.353 2.238 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2124531355 DAAAMWHWWAKFFH-GEEKYZPCSA-N 444.341 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128727491 FKBRETGIUSTLSC-ZWKOTPCHSA-N 446.353 2.284 30 10 IEEE C[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2243387384 STPDTMIQZWNMLZ-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N(Cc3ccccc3)C3CNC3)c2)OC1(C)C 2243437882 DNDUAWWYLSZYGI-UHFFFAOYSA-N 434.392 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2255811956 LHAXUCFCLLLTLH-IAGOWNOFSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825597 CBTVTYPQNMWCHT-ZIAGYGMSSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255826711 RGTNLJSBOHXNSZ-CQSZACIVSA-N 434.346 2.084 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255841918 KFQXTOLDHJZCNU-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844624 ZPDKCCPOCBPKQJ-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CO[C@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2256021370 IAQDIQQDGURQMJ-MSOLQXFVSA-N 433.358 2.296 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256028506 SMEQZVTXLMWYNP-GOEBONIOSA-N 433.358 2.032 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2256926551 BGKXGPLXWBGGSB-RDTXWAMCSA-N 428.294 2.102 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2267150381 UFQGQUISOLOCFD-IBGZPJMESA-N 438.381 2.374 30 10 IEEE CCn1cc(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267181595 UPZVGLFFEMSFMY-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267273994 UHWQPOJITKBGPG-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267290827 IIRVDIQUYPVEJD-DEOSSOPVSA-N 440.349 2.288 30 10 IEEE Cc1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2267604707 OWNGYVXLTIGEBU-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267871461 AVXZGKTWXJPKPT-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267878840 BZYKMMKLTZURCS-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267882714 WJEGUWYFSYQSOD-CQSZACIVSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2319677250 MUTWDRUSQHCNQB-VLIAUNLRSA-N 442.337 2.391 30 10 IEEE Cc1cc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2320572717 BSAPBJQBRIXPPU-OALUTQOASA-N 432.370 2.364 30 10 IEEE O=C(CSc1nncn1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nccs1 2321270380 OTNLYXDDTVSPRF-UHFFFAOYSA-N 447.458 2.027 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccncc1 2327826682 YBKUGTYGVWIBDW-INIZCTEOSA-N 443.577 2.288 30 10 IEEE COc1cccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1OC 2329039883 AUUDGBMNFHNGFB-INIZCTEOSA-N 447.561 2.376 30 10 IEEE COc1cc(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 2329898810 WRQGWOZSLWVMAD-UHFFFAOYSA-N 443.485 2.040 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334262110 WFSQRWWQKJIQBB-OFQRWUPVSA-N 446.357 2.227 30 10 IEEE C[C@@H](C(=O)NCc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925077 YTMCSGOCGKUEKW-INIZCTEOSA-N 446.960 2.223 30 10 IEEE COc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C3\C(=O)Nc4ccc(C)cc43)NC2=O)cc1 38306748 BUAJKQCJIULPQH-INIZCTEOSA-N 437.481 2.276 30 10 IEEE Cn1c(=O)c2c(=O)c3c([nH]c2n(C)c1=O)NC1=C(C(=O)c2ccccc21)[C@@H]3c1ccccc1 104764540 RPGOZUKSLIRVJH-HNNXBMFYSA-N 438.443 2.091 30 10 IEEE C#CCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 111192271 XFQRWXWBBTXLIR-HNNXBMFYSA-N 443.550 2.283 30 10 IEEE CCN1CCN(C(=O)Cc2ccc(NC(=O)NCCOc3ccc(C#N)cc3)cc2)CC1 431106898 IFYMKSMIYIZHFZ-UHFFFAOYSA-N 435.528 2.465 30 10 IEEE CCC(CC)[C@@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)OC 437604190 NTGDGXOBDUYPOA-LJQANCHMSA-N 436.578 2.415 30 10 IEEE C=CCCCNC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 448031750 RWRQPNJVVOTNSB-UHFFFAOYSA-N 425.551 2.370 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2=O)c(OC)c1 461275843 IYHJKTMRQYXJOM-OAHLLOKOSA-N 432.440 2.148 30 10 IEEE CCc1ccc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)s1 482101976 RNRIIKPYULXNTD-INIZCTEOSA-N 446.598 2.193 30 10 IEEE CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 483829176 DEMXBGWESAZXMZ-UHFFFAOYSA-N 431.500 2.251 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)c3ccc(Br)cc3)C2=O)cc1 489187305 UYORVRSWQLBTCR-KRWDZBQOSA-N 426.270 2.421 30 10 IEEE Cc1ncc(S(=O)(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1C#N 489420797 CHOHNBGGODUHIX-CQSZACIVSA-N 429.420 2.341 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 508824630 IFCIRHCUYCSWQF-INIZCTEOSA-N 427.509 2.076 30 10 IEEE C=CCn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 508878786 BJEAUBWWRWTAOY-UHFFFAOYSA-N 447.543 2.452 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 508917046 AXFSDTGNDHWEAJ-PKOBYXMFSA-N 449.552 2.005 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 509683481 IWBDVCRVANGTJR-UHFFFAOYSA-N 447.539 2.460 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCC(=O)OC)c2=O)cc1 523652841 ZGELPGIPDVAZGB-UHFFFAOYSA-N 438.549 2.298 30 10 IEEE C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 538124890 OMADROFMFBJMSO-INIZCTEOSA-N 427.526 2.340 30 10 IEEE O=C(NCc1ccccc1OC(F)(F)F)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 550617903 HSAKTOGVDXEFEE-UHFFFAOYSA-N 445.335 2.246 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 555247268 AQXDGWQXXIWLRI-MJGOQNOKSA-N 449.552 2.320 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 568890656 GDQDDPWAPZSFJT-UHFFFAOYSA-N 434.968 2.062 30 10 IEEE COc1cc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)ccc1C#N 576795834 LDZBVQPZYZNNKL-UHFFFAOYSA-N 437.456 2.074 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c1 586390095 XLOYZUIFGZTQSJ-RMKNXTFCSA-N 434.452 2.481 30 10 IEEE CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)cc1 588157258 XDZPEHHWADMLBS-UHFFFAOYSA-N 448.548 2.292 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 672197532 ICQNQTYMDWYKJD-HTQZYQBOSA-N 439.303 2.465 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F)c1ccc(C#N)cc1 740215869 VYPSMROHJHYRJZ-SFHVURJKSA-N 434.445 2.455 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 741635895 XFASXBSTFJTEPR-HNNXBMFYSA-N 435.477 2.482 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 747886698 PIPBXOYJXFAISO-SFHVURJKSA-N 446.960 2.440 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1Cc1ccccc1 752194151 LJRXHCIKBGDAQV-UHFFFAOYSA-N 438.578 2.006 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(NS(=O)(=O)C(F)F)c1 753954169 PYOOWQLIJTZBRS-BZNIZROVSA-N 437.490 2.410 30 10 IEEE C[C@H](C#N)CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C1CC1 754175325 OQIUMUMJEQQGLF-BLVKFPJESA-N 433.306 2.367 30 10 IEEE COC(=O)COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc12 758648204 GLLQSXSZHBPKMG-QZQOTICOSA-N 438.440 2.040 30 10 IEEE COc1cc(N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cc(OC)c1OC 759270584 BLEXQLFZWOANGN-UHFFFAOYSA-N 440.500 2.495 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ncc(Br)cc1Br 759753638 CNIPICQPBTWJPB-SSDOTTSWSA-N 435.072 2.164 30 10 IEEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1Br 760778015 PQTMDMWWRFEGRF-UHFFFAOYSA-N 449.330 2.082 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)c1 769653292 NKGGVPQUNSDTLN-UHFFFAOYSA-N 447.437 2.439 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CCn1nnc2ccccc2c1=O 769721833 ITDGPIYSRXXVND-UHFFFAOYSA-N 429.230 2.430 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CN(C)Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 774227010 NRDHJUKNLSAQCS-HXUWFJFHSA-N 429.542 2.244 30 10 IEEE C[C@@H](NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(C#N)cc1 775164196 WJUKRCHFYMGJSZ-KZIRBZLESA-N 438.553 2.354 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](C)[C@@H]1CCCN(C(=O)OC)C1 775814244 XCYXIQGFNUAYCL-FUHWJXTLSA-N 433.553 2.408 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC#Cc2ccccc2)cc1 791242064 UILIFYZSPXDKAM-UHFFFAOYSA-N 428.510 2.042 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(F)cc1Cl 795772285 FJYRYRJNLQWGII-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800788061 UUXCUUMPTNKLTC-UHFFFAOYSA-N 432.594 2.072 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCOC1 802763880 KERXSDCABSSDQF-HKUYNNGSSA-N 438.532 2.079 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccsc1 814251374 HHWHJGRCQFSUJB-UHFFFAOYSA-N 446.504 2.294 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ncn(-c3ccccc3)n2)C1=O 814707116 KGTVFDWPZWQXBA-GOSISDBHSA-N 445.508 2.407 30 10 IEEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 816690433 RELJLVRNLQUPAY-OAHLLOKOSA-N 443.403 2.226 30 10 IEEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 915215745 IEOOQQOWPQYVRI-DYVFJYSZSA-N 433.493 2.322 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccccc3F)n2N)c1 1084593726 HEMLXXLQJFSIDX-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE Cc1csc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)n1 1084605065 HJVDGJASCABKGR-UHFFFAOYSA-N 434.463 2.360 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1124212175 ICCXPZOYTZYBOD-MRXNPFEDSA-N 448.372 2.297 30 10 IEEE N#Cc1ccc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(F)c1 1124415612 CDMYKRMKJRDWRU-UHFFFAOYSA-N 442.472 2.471 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(c2)OC(F)(F)O3)c1 1125489737 XTCQPPQVIUZYND-UHFFFAOYSA-N 428.391 2.495 30 10 IEEE CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1135006257 QSGNAVFBZDNCTQ-UHFFFAOYSA-N 439.291 2.093 30 10 IEEE CC(C)(Cc1ccc(Br)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159491191 WFOYAZZQCOSWEF-UHFFFAOYSA-N 431.290 2.235 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C[C@H](O)c1ccc(C#N)cc1 1171840072 AIMVIUGQKKAGHO-IKGGRYGDSA-N 441.450 2.445 30 10 IEEE C=CCC1(O)CCN(C(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 1226924664 CLYICJHFQNLNJX-UHFFFAOYSA-N 429.608 2.434 30 10 IEEE C=C(CC)CNC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1251862125 PLPULBDVBOMCPA-UHFFFAOYSA-N 425.551 2.466 30 10 IEEE CN(C)CC#CCNC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O 1256584329 BQBHEPIGCFVVRH-UHFFFAOYSA-N 426.355 2.305 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286299395 DIDMJCJKYTWDOB-CJNGLKHVSA-N 442.511 2.355 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286349919 QRLBSYLAWRURJT-QGZVFWFLSA-N 426.521 2.281 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286352216 XTYFXGWJIGBZFC-LJQANCHMSA-N 440.567 2.458 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(OC)C1CC1 1286376645 MYPDBHOTZCPLJF-JTSKRJEESA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1286387856 JCMNLPOZLHCEHC-OAQYLSRUSA-N 446.536 2.195 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1286446492 GPNOGJWQLALXOE-KRWDZBQOSA-N 445.564 2.427 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1cnnn1C 1286462906 AHYJYBYZLKZYFT-UHFFFAOYSA-N 448.300 2.110 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)C)CC1 1286550455 CRNALYGJGWPNMI-ZCNNSNEGSA-N 449.596 2.288 30 10 IEEE C=C(C)COCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1286614063 JQLCNAZUZWIPOR-UHFFFAOYSA-N 432.613 2.303 30 10 IEEE C=CCCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1286691338 FYKIUOQTHZHMQG-QFIPXVFZSA-N 432.569 2.281 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C)C1=O 1286745951 ZHMLUTQXFTWKQQ-HSZRJFAPSA-N 440.523 2.211 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCCO)CC1 1286782196 NKJATHVMNSTHOJ-UHFFFAOYSA-N 428.493 2.144 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286831014 RYFQWPQNYUMHMB-QGZVFWFLSA-N 427.578 2.172 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC[C@@H]3CC[C@H](C(F)(F)F)O3)C2=O)cc1 1288684678 QUYRDCJQTJKJMO-ARFHVFGLSA-N 438.406 2.379 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCNS(C)(=O)=O 1288935844 GJMSNLXFZJIWNA-ZIAGYGMSSA-N 440.957 2.359 30 10 IEEE CC(C)[C@@H](C#N)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1296764668 ANZPKTMJJSPMFP-NHCUHLMSSA-N 434.496 2.433 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300493872 WUOPQUKPBLHLGD-UXHICEINSA-N 427.574 2.085 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300496093 NZSMBIYANRCQMM-VQTJNVASSA-N 442.585 2.382 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)c2ccccc2)CC1 1300683040 VMYNAIHETBWFKX-FQEVSTJZSA-N 445.527 2.068 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1301032939 BZOMPVKXDYNHDL-HDICACEKSA-N 433.004 2.426 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301259503 JTGNLULOKPRUOM-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1301331013 BKICQJDHDMODHD-UHFFFAOYSA-N 426.613 2.321 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnccn1 1301587078 LWRXOPRBTIQWRX-UHFFFAOYSA-N 448.499 2.174 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1303791990 DUKYBGOCRNYEFT-UHFFFAOYSA-N 442.497 2.223 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(C)COCCO2)n1 1304743827 PHAIJTLUICUURI-HSZRJFAPSA-N 435.532 2.453 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)cc1 1309021106 GRJQTKVJCNOMJS-UHFFFAOYSA-N 439.603 2.314 30 10 IEEE Cc1cc(C2(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)CCOCC2)on1 1357483969 LFLZJLGMMJQPFM-LYBHJNIJSA-N 446.529 2.483 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1358920144 SZQHSRBSMSMZHZ-YJBOKZPZSA-N 435.525 2.019 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2c(C)nn(C)c2C)CC1 1359043014 CQWWNFOMPATBSK-UHFFFAOYSA-N 431.544 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)CN2CCCC2)CC1 1359046544 WCUNKFRSWFNQKU-UHFFFAOYSA-N 426.609 2.318 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1359083234 FMOPNMUNAIDTKK-LLVKDONJSA-N 432.369 2.182 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOCC)CC1 1359100744 FYJHBNHGQYXTPV-JTHBVZDNSA-N 440.592 2.404 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359125593 LCRUVBQPGQKTPI-ILXRZTDVSA-N 431.459 2.083 30 10 IEEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1359216934 IKPHWGOWLRZCOV-UHFFFAOYSA-N 432.519 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCC(=O)NC 1359328351 AQRVBTRVWPYSOU-UHFFFAOYSA-N 447.605 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC=C(Br)C1 1359330428 RIEOJSOFYLYDPY-UHFFFAOYSA-N 438.351 2.430 30 10 IEEE CC(C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1359662329 XTWTYPNTFBCYLG-FUHWJXTLSA-N 443.552 2.101 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CCCc3ccccc3)n2CC(=O)N2CCOCC2)C1 1360787942 HOIHGWBGXLUYBR-XMMPIXPASA-N 436.560 2.442 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(CCOC)CC3CCN(C)CC3)ccc2c1=O 1454600712 WCOOSWACRMKXJV-UHFFFAOYSA-N 430.574 2.302 30 10 IEEE C[C@@]1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCN(C(=O)OCc2ccccc2)C1 1454630387 BRNRDJDVNVXCTB-JOCHJYFZSA-N 438.488 2.105 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](OC)[C@@H](C)C3)nnc12 1457809783 HHTOZLWPVWCCOM-WMLDXEAASA-N 427.530 2.206 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)c1 1470512406 ZEOTVKSWZZOIKM-UHFFFAOYSA-N 437.496 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)Nc3ccc(C#N)cn3)C2)C(=O)C1 1476931957 GKROFLISRFWCCF-INIZCTEOSA-N 428.493 2.029 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1507549437 ZSTFLOJXEIVKMG-OIISXLGYSA-N 430.553 2.033 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)C(C)(C)C 1507615922 CVLYPDJUKCNEOZ-PMERELPUSA-N 429.594 2.069 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCN/C(O)=C1\N=CC=CC1=O 1507644647 KZZHRPPFQVGPHL-XTQSDGFTSA-N 440.463 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1C(C)(C)C 1507772621 SDCVIWILAVJJLT-SGXKBVARSA-N 427.553 2.389 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1507782938 BKXOMIAFMKCABZ-CVEARBPZSA-N 426.359 2.433 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1507978767 RYQDEOBKRTVDKT-KRWDZBQOSA-N 437.548 2.018 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(C)C)CC1 1508079381 SSQGVOJXKHBIAR-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE CC(C)(C)[C@]1(C)CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1508471488 VBGIHEJTDSYWKM-XKONBMNXSA-N 428.537 2.323 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1509439696 KNNORDSBRYAVDB-SXWKCWPCSA-N 448.612 2.414 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCC2=O)cs1 1511530194 NDTYMZFSFVQMHC-HXUWFJFHSA-N 431.541 2.478 30 10 IEEE CCC1(CC)CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1513600854 VFWQFOQWFMYYTK-CZIZESTLSA-N 436.520 2.278 30 10 IEEE CSCCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1520547278 USNYAHRSEGMZRU-UHFFFAOYSA-N 437.577 2.333 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CN1CCCC2(CC2)S1(=O)=O 1534559172 AUMVZTXRGGDNPA-UHFFFAOYSA-N 429.292 2.193 30 10 IEEE CCn1c(NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)nc2cc(C#N)ccc21 1535718465 HISCATBOOMTFIF-ZDUSSCGKSA-N 429.527 2.468 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)cs1 1538982744 JDUGUGHFCCRDIV-HNNXBMFYSA-N 444.586 2.467 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539125468 ZYSLMKYBOWRBOF-SFHVURJKSA-N 435.981 2.454 30 10 IEEE C#CCN(c1nnc(C)n1Cc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1539204676 BIXIMZNDCONHSP-LJQANCHMSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1539213101 VSGNLKJWCRMUPP-HXUWFJFHSA-N 439.541 2.036 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1539216040 MWPUKEXFAZLMDQ-SFHVURJKSA-N 439.541 2.347 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1539225526 OKQALLCWYJNFRB-QGZVFWFLSA-N 436.628 2.476 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539520375 QJNGOAFBXGCBHB-AEFFLSMTSA-N 427.549 2.337 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1539769882 DHKBNEFQDOAXQM-IBGZPJMESA-N 443.573 2.127 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539913137 ZYYFGFITYNOYTE-SFHVURJKSA-N 425.537 2.165 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1540012084 ANTCOEXAFCMTEN-MRXNPFEDSA-N 446.577 2.212 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540866544 RFDGMESYBNTANY-BTYIYWSLSA-N 446.939 2.070 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540867506 YQZIAJKYAOPLCL-BEFAXECRSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccnn2C)CC1 1540873175 PPUHCIDTQKSYJX-UHFFFAOYSA-N 440.577 2.054 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540875779 XWFMSMLPYFLBPU-APWZRJJASA-N 429.521 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540900989 PFVXHZSWPUVCBR-GOSISDBHSA-N 427.534 2.016 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=CS(=O)(=O)CCC2)c1 1542096878 ZYQLISHVQFCDLD-UZYVYHOESA-N 439.559 2.311 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)COc2ccc(C#N)c(Br)c2)C1 1544006721 OOMSXHQUEDJBPV-ZFWWWQNUSA-N 438.322 2.089 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)c1 1544608407 PMQPCUUOSPDCAK-DRTYGMKQSA-N 430.534 2.456 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1545663934 GNBLQFFACNFTQH-KRWDZBQOSA-N 446.559 2.203 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1547630402 UWTBVKONOPETOS-UHFFFAOYSA-N 436.520 2.108 30 10 IEEE C=CCn1cc(C(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)nn1 1556381336 QKSODNALBQDWCF-UHFFFAOYSA-N 428.294 2.065 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C(=O)OCC 1558130100 AHGVMCFKQARPHP-IBGZPJMESA-N 446.525 2.498 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1586080272 NIPAMKXAHGPVOH-UHFFFAOYSA-N 441.513 2.292 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN1CCOCC1 1588084178 NJCSDMIDOXEAGH-LJQANCHMSA-N 425.508 2.352 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2)CC1 1594241165 IBKACTFFNUJJHP-FQEVSTJZSA-N 445.589 2.370 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H]1COCCO1 1595134284 YEGGTHDROARZCJ-GOSISDBHSA-N 429.496 2.148 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1595687826 DBGBZTSXFQCLBW-FPDPHYFHSA-N 429.477 2.175 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1597571106 LSZALNPSECVMON-OAQYLSRUSA-N 449.531 2.147 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1597588607 AIYGQVLAMYFVDK-UHFFFAOYSA-N 443.508 2.270 30 10 IEEE C[C@]1(C#N)CN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CCO1 1611488846 BYCJTVVEQUHIEW-FQEVSTJZSA-N 431.539 2.250 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)s1 1612518057 OJAIRNOTNFQQAH-CQSZACIVSA-N 436.545 2.276 30 10 IEEE CCOCc1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616835270 JJNVJNNIMMUTQR-ZVDNPCSMSA-N 428.537 2.358 30 10 IEEE N#Cc1c(NC(=O)CN2CCOC3(CCS(=O)(=O)CC3)C2)sc2c1CCCCC2 1620675531 WOHXNHXECYASPA-UHFFFAOYSA-N 437.587 2.107 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1623983304 BFTLDLNSTUWDMP-CQSZACIVSA-N 442.944 2.393 30 10 IEEE COCCN(CCN(C)C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1627535590 OWGXSGYTABHVBX-FQEVSTJZSA-N 430.549 2.429 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1(F)F 1627843513 UWMNSZZEXPGCQB-NVXWUHKLSA-N 435.475 2.444 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 1628324960 ZTAXNBXARFLRAW-TZIWHRDSSA-N 433.430 2.013 30 10 IEEE C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 1628622456 JYYZIKMWLUCFAX-KXBFYZLASA-N 442.541 2.461 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 1630789457 YOIMRBBUPLSXNT-UHFFFAOYSA-N 430.505 2.105 30 10 IEEE CCn1c(O)nnc1C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1631066286 DTDLSAHCKRFEJH-UHFFFAOYSA-N 434.294 2.423 30 10 IEEE CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1633381647 BYVBHGFCQDQGNI-KBPBESRZSA-N 425.482 2.110 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697092 HPSUYLDQRMYIEN-AVYPCKFXSA-N 427.567 2.055 30 10 IEEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OCC 1635699231 ROOBRISDRHTHOH-QGZVFWFLSA-N 426.510 2.241 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C 1638090227 AUDBPZIHQGBJDO-MRXNPFEDSA-N 427.509 2.231 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 1651247980 YSGGABDRMHAHOP-NHCUHLMSSA-N 425.526 2.126 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](CC2CCCC2)C(=O)OC)ccc1F 1653435766 CWMMOULIROAGOM-INIZCTEOSA-N 426.510 2.389 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(=O)OC 1663611195 LYNUQGPOAJNHSX-LBPRGKRZSA-N 438.271 2.161 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1666229833 MNBVZPPQMJVJLG-UHFFFAOYSA-N 442.603 2.261 30 10 IEEE CS(=O)(=O)C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)c1ccccc1 1671055015 HEJOTBOWFSFKQV-MOPGFXCFSA-N 427.530 2.325 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OCC 1671199161 MPCPUOGETFSCOT-NSHDSACASA-N 429.438 2.156 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1686314947 BCGDXXWLILJEHT-QKLQHJQFSA-N 435.565 2.332 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689970961 JCORTOHGVNRODY-ZWKOTPCHSA-N 433.603 2.204 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689991848 DKHGVIZLNIBNAH-LEWJYISDSA-N 444.601 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)nc1 1690006570 SWRVOWZTNMTMPR-UHFFFAOYSA-N 448.552 2.020 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1690100880 GFXGXHQQFZDMAF-HSZRJFAPSA-N 448.483 2.181 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 1690154059 IRZOCAVCMOGCNS-UHFFFAOYSA-N 448.543 2.388 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1690171277 YUDTXSWXLYVHOD-ZWKOTPCHSA-N 429.521 2.313 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690308302 JKYMUOCORCOARC-HNNXBMFYSA-N 427.475 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690664502 VSQRQLFSMKGBOU-ZWKOTPCHSA-N 449.914 2.424 30 10 IEEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCSCCCO)CCO2 1693883884 MHNYQQHDYMEQPP-HTAPYJJXSA-N 443.573 2.317 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NC2CCCCC2)CCO1 1698493974 QVBCYEAXJCDFAG-MRXNPFEDSA-N 444.486 2.325 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(CC(C)C)CCO1 1705500659 ROXMLBFGCQHCLJ-QZTJIDSGSA-N 444.605 2.084 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1705524779 SCCAMEJSIREQPX-HTAPYJJXSA-N 443.573 2.328 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705535067 ZPOIZQWOGIARJU-VQIMIIECSA-N 430.530 2.217 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1705551167 IEXUIDUXTOSLHV-MOPGFXCFSA-N 446.596 2.388 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1705554824 MINXEAXCJRWUSD-QFIPXVFZSA-N 429.565 2.285 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705561958 XGZMKGBIJJHIPH-PGRDOPGGSA-N 430.574 2.110 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1705574634 JAGOGBANFFDWJN-HXUWFJFHSA-N 448.449 2.055 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1705578133 HLSWDAPRSWRGMS-DEOSSOPVSA-N 433.512 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCc1cccc(C(=O)N(C)C)c1 1705584217 BIIXKTUZIMEMLN-UHFFFAOYSA-N 426.524 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC[S@](=O)CC 1705585893 NLJDPVBTJHOQOK-HHHXNRCGSA-N 449.374 2.461 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705608539 VTIJVFSYWTVCKP-CQSZACIVSA-N 439.944 2.479 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1705688149 NUAWVWANCCJGQO-OAHLLOKOSA-N 434.342 2.197 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1705837912 TZMFXPZDVMUHRG-UHFFFAOYSA-N 436.925 2.328 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705901255 GRMYNWOHQFEEMU-UHFFFAOYSA-N 443.640 2.233 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCN(C(C)C)CC1 1705933086 UCEYXJMRHTUQMC-UHFFFAOYSA-N 447.605 2.475 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1706750950 CGLVSSRRNZHEBI-ZMSDIMECSA-N 428.541 2.088 30 10 IEEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccc(C)n(C)c1=O 1707904553 BPNVMKGLBRGONB-UHFFFAOYSA-N 431.544 2.226 30 10 IEEE COC(OC)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c1 1711586302 XILKGYLBRYKRDJ-FQEVSTJZSA-N 434.500 2.332 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1722331870 XAIXQPLAALKNRT-UHFFFAOYSA-N 433.560 2.060 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1722332008 BXCHCAOWDQDILQ-AVRDEDQJSA-N 428.558 2.346 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1Cc1cccnc1N1CCOCC1 1722375993 WHTDTJYEIHZJLL-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC[S@@](=O)C(C)(C)C 1722385814 MCGOKQNPJKKLQO-SSEXGKCCSA-N 428.558 2.486 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(OC)c(OC)c1OC 1722395671 NLMVNHYAEOSKRZ-UHFFFAOYSA-N 448.527 2.410 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722402942 ITXINSFYFAJZQL-UHFFFAOYSA-N 440.495 2.134 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1722411909 SFLFMJNTUQCAFL-MRXNPFEDSA-N 439.541 2.245 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722432810 FOZDIBUTDUMKMM-SFHVURJKSA-N 426.952 2.268 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccsc2)CC1 1722440217 GEIVGVMQOFOHGO-UHFFFAOYSA-N 426.571 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC=CCO2)CC1 1722449204 OCEHUNSFXJAWDI-NRFANRHFSA-N 449.555 2.188 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1722509891 PCTCNJHAUGMVEK-FXAWDEMLSA-N 434.537 2.224 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722554797 HRPDJHODRRBQTB-OAHLLOKOSA-N 431.990 2.223 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722632701 CXUZSNYLNHTQCR-VGOFRKELSA-N 442.568 2.053 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1722668754 ZHPWCIPEMBXGFM-OAQYLSRUSA-N 432.546 2.333 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)O1 1727312599 LXIXGMXKGVJROU-AUSIDOKSSA-N 438.532 2.403 30 10 IEEE CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1728895271 TZWYBFLTTAUNSQ-NSHGMRRFSA-N 427.505 2.178 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1729202182 GLWWGKQEOQXCEJ-HNNXBMFYSA-N 443.451 2.019 30 10 IEEE CN(C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1729341089 NFIOQAAQOZKIMR-HSZRJFAPSA-N 436.564 2.225 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)C1CCCCC1 1729368890 BMLLTTSRFVDTDT-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COCCCN(C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1730692950 OXZQHZWUJZYGPQ-GOSISDBHSA-N 437.548 2.134 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740579182 PUNIAHAWUOBXTR-QHCPKHFHSA-N 431.581 2.427 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740624891 BMEQQGFANSPLAR-LJQANCHMSA-N 432.594 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCn1cc(CO)nn1 1740633781 SLAHLBFBIVUMNN-QGZVFWFLSA-N 449.584 2.378 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCCO1 1740677518 MHGONXHXUZXEGL-IERDGZPVSA-N 449.552 2.236 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](C)N(CC)CC)CC1 1740696473 VFZOVKBBBAUJIB-UGKGYDQZSA-N 438.576 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740704246 MLDUUSTXJVAMOV-AVRDEDQJSA-N 446.555 2.455 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCN(CC)CC1 1748657873 KLRAECKDSQXHMM-RTBURBONSA-N 438.576 2.405 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](COC)OC)c1 1748692176 DFBRDWWWLJTSHR-FQEVSTJZSA-N 448.527 2.366 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1748805153 PALKHPJFXFBAEH-HZPDHXFCSA-N 431.562 2.333 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1748979750 LCVPWZIGEXEJGI-VWLOTQADSA-N 436.604 2.064 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1749033089 CTYIHGZBELOFHQ-YWBAYFEHSA-N 436.516 2.250 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCOC1 1749039524 WDKWZIGTAISLNR-SFHVURJKSA-N 427.578 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCCS(C)(=O)=O 1749051424 ICGWDQLOQWLHOS-OAQYLSRUSA-N 444.561 2.132 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1749136397 MRXWOLANMWYFNY-OPYAIIAOSA-N 436.516 2.022 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1749143853 NDCIAPGDFMFIBB-IIBYNOLFSA-N 433.578 2.125 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1 1749449382 MKNVXTFSMZXTLS-UHFFFAOYSA-N 429.477 2.155 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCC1 1750061849 AERIGMKNKVUWHQ-MRXNPFEDSA-N 446.577 2.096 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1750076911 RREHCDQFWMBVHL-BVYCBKJFSA-N 438.576 2.383 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189906 REXPLNHMWBAVGR-IBGZPJMESA-N 438.557 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1Cl 1760210899 YTJXCQBJZIHJEE-INIZCTEOSA-N 433.965 2.247 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOC(C)(C)C)CC1 1760259638 FBAIUARBQWEFBO-UHFFFAOYSA-N 435.532 2.164 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760279893 ARSPGOYGBGDZIP-UZLBHIALSA-N 440.635 2.188 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1760478932 XPTOXDSMGUWYMH-UHFFFAOYSA-N 435.532 2.057 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCC(=O)N(C)C)o1 1761758240 IEXCKOIWFADLRW-UHFFFAOYSA-N 448.531 2.308 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1765650975 GEYCTEOMZQSTJJ-IBGZPJMESA-N 437.548 2.483 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccco1 1767847510 LHDRFLGVICBURI-KRWDZBQOSA-N 426.502 2.300 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1769996680 ZLQRZRHONOAPKS-NQERJWCQSA-N 435.475 2.491 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)SC 1770040171 AUFJOYGYWMFLDE-SJORKVTESA-N 445.593 2.347 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1770801521 FGDPWOYABBGJGV-WMZOPIPTSA-N 440.483 2.183 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1771538412 CGIQFMBVVKUAPS-HUUCEWRRSA-N 438.410 2.243 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)n1 1849407778 QDEHGAPNIYUWCH-UHFFFAOYSA-N 429.480 2.495 30 10 IEEE Cc1nn(CC(=O)N2C[C@H](c3ccccc3Cl)[C@@H](C#N)C2)c(C)c1S(=O)(=O)N(C)C 1851001855 TYXKZTLYKPRJKT-RDJZCZTQSA-N 449.964 2.169 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(Br)n1 1851578168 QFVAGVAYUURVLR-LLVKDONJSA-N 443.257 2.479 30 10 IEEE CC(=O)N1CCN(CC(=O)N(C(=S)N=CN(C)C)c2cccc(C(F)(F)F)c2)CC1 1852573783 MEJSDORDUPRBJK-UHFFFAOYSA-N 443.495 2.077 30 10 IEEE C[C@@H](CCC#N)N1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C(=O)C12CCCC2 1854465506 QDAWDIVEMGZNFY-HNNXBMFYSA-N 430.940 2.242 30 10 IEEE Cc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854636344 DNHRPSPHECMFHX-KRWDZBQOSA-N 425.510 2.248 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nc3ccccc3s2)C1)[C@H]1CCN(C)C1=O 1857074368 HXFKPXYHXMNWHA-RDJZCZTQSA-N 426.542 2.394 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 1858323808 QLIQEMQEYIKIRR-GFCCVEGCSA-N 431.948 2.015 30 10 IEEE C=CCNC(=O)[C@@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861514587 GGNBQQGBMMOOEX-OAQYLSRUSA-N 449.507 2.345 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(CC)CC2)=C(N)Oc2c1c(C)nn2C 1865227458 JVWRDPRSBIRJMP-FQEVSTJZSA-N 437.544 2.152 30 10 IEEE CC[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1867223802 YBBGLDCSUHRBQN-FQEVSTJZSA-N 435.528 2.466 30 10 IEEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1OC 1870137780 ZYSPXOJXCFXUDL-UHFFFAOYSA-N 447.499 2.160 30 10 IEEE Cc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870145808 QHAACEGUVUQZAS-UHFFFAOYSA-N 444.451 2.471 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)cc2OC)cc1 1874350274 DHEULMJDZXBUSS-FSJBWODESA-N 441.513 2.354 30 10 IEEE CN(CC#CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 1890730950 PNUXQMUMBLHMTH-UHFFFAOYSA-N 425.554 2.336 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)C2)c1 1891393562 YFTOVUBDJSLMOE-KRWDZBQOSA-N 446.554 2.095 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)C1 1991983504 IUKPJXKFQMDNSX-LSDHHAIUSA-N 425.526 2.086 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCC#N)CC(F)(F)F 2114340862 UGRVRFMNHRBIHZ-INIZCTEOSA-N 435.399 2.119 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)c3ccc(Br)cc3)nc2)OC1(C)C 2158588724 QKHQSMLHBYTFAX-UHFFFAOYSA-N 440.128 2.339 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccc(C#N)cn1 2195271561 KPBOJQMGYSHXCE-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2224097574 MMQMFZKVAOBDNW-SJORKVTESA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CO)(Cn2cc(Br)cc(C#N)c2=O)CC1 2229902738 NILONJWTFJXBKL-UHFFFAOYSA-N 426.311 2.492 30 10 IEEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)N(C)C(=O)OC(C)(C)C 2243387235 QALLJOMIVUVMQS-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)NCCNOCc3ccccc3)c2)OC1(C)C 2243412711 RQUZMUAAWOMLJR-UHFFFAOYSA-N 438.380 2.047 30 10 IEEE C[C@@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248400750 ATQNQGYSHQVILU-IUODEOHRSA-N 440.371 2.110 30 10 IEEE Cc1ccnc(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255640816 ZIZOYYLDLPSQII-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256668580 CEMFTCKMXPOHIC-CJNGLKHVSA-N 435.330 2.248 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267095871 GRQSITOSQYWAFX-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188046 GZUFULKAJHXZID-GJZGRUSLSA-N 448.373 2.093 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2267227547 BUGZEEGSBUAHTO-ROUUACIJSA-N 446.353 2.004 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2267495255 ZFCGCAZLAYCXHF-GDBMZVCRSA-N 448.373 2.143 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267507434 NYGATDWTAAZFAK-HUUCEWRRSA-N 448.373 2.155 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2268642905 HEAKGWKGUAMEPO-KRWDZBQOSA-N 448.369 2.220 30 10 IEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1 2269040814 ATDCIWLAQNHCOU-UHFFFAOYSA-N 441.337 2.408 30 10 IEEE CC1([C@H]2CCCCN2S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)OCCO1 2282853254 AGLQTTNKHPAIIK-OAHLLOKOSA-N 443.396 2.354 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2315696188 DEVWOJSZGSQSLP-NSHDSACASA-N 447.288 2.116 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203047 RXFIJXITOWWKMD-GOSISDBHSA-N 438.381 2.313 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCOC)c(=O)c2c1 6296458 CPKFGPZBHGXNHR-UHFFFAOYSA-N 441.509 2.286 30 10 IEEE COc1cc(OC)c([C@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72445508 FMRGUWRFSQBZGW-CXAGYDPISA-N 439.472 2.010 30 10 IEEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1 102718682 COJZTGBEKIEWQX-RKKARLDVSA-N 449.507 2.400 30 10 IEEE CCCCOc1cccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254696991 HYSBNZPIZJDCSW-HOTGVXAUSA-N 440.543 2.332 30 10 IEEE COc1ccc(C(C)=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 254765021 HEQJTIYNLQXLNO-UHFFFAOYSA-N 432.484 2.327 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ncn(Cc2cccc(F)c2)n1 444535274 STRWDKMWNMIKBR-UHFFFAOYSA-N 432.463 2.246 30 10 IEEE CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466106564 JIMWKSMDEPNBPX-UHFFFAOYSA-N 429.565 2.063 30 10 IEEE CCO[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C12CCCC2 466435074 WCXLNTXSMRPMNO-PMACEKPBSA-N 446.573 2.312 30 10 IEEE COc1cnccc1N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 478466775 JGZDSAYKOORZSQ-UHFFFAOYSA-N 428.514 2.130 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(c4cc(OC)cc(OC)c4)C3)cc2C1=O 480381642 HIVBPDDVZCZCOP-INIZCTEOSA-N 435.480 2.495 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1C#N 489109984 WHCWGUIZMZEKJL-UHFFFAOYSA-N 436.440 2.010 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccccc1C 535894389 TUABTROQNBUIDT-UHFFFAOYSA-N 437.471 2.291 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCN(c2ccccc2)C1=O 540467601 CPZNDMMYSJUULX-XZOQPEGZSA-N 449.530 2.272 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 549652566 KBJGPUOVUVVHMB-UXHICEINSA-N 445.589 2.256 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 609043001 QGLXUIRFHGNKKD-MRXNPFEDSA-N 427.530 2.059 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1 609694496 HORAXPOXUQGVEP-IRXDYDNUSA-N 431.464 2.473 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 610698181 NJRBCANJEXZTQD-MJGOQNOKSA-N 430.516 2.286 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@]4(CCCOC4)C3)nnc12 671915795 NMYXRIDORVOMAY-QFIPXVFZSA-N 439.541 2.351 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)c1 730143333 AFFNHRISBVPIQS-LJQANCHMSA-N 439.541 2.164 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccsc2)cn1 730144407 LECQTOORSRMFPI-INIZCTEOSA-N 434.591 2.164 30 10 IEEE COC(=O)CN(Cc1ccc(F)c(F)c1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 731025332 QWRCVHVLQGFOPJ-QFIPXVFZSA-N 442.422 2.236 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 747969752 DSEUALKELGWKBW-LRSOKBAUSA-N 434.440 2.030 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cccc21 754189013 BXBGGAOXLWZOIE-MRXNPFEDSA-N 439.516 2.121 30 10 IEEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)[n+]1cc(O)cc(Cl)c1 759058622 NKWRVPLYDOEHDS-LLVKDONJSA-O 430.893 2.487 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)CCN1C1CC1 764258443 AVEAMVAOFPQVTI-INIZCTEOSA-N 446.349 2.187 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1cccnn1 766416812 QONHGWMXUYVVJB-QGZVFWFLSA-N 444.480 2.299 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c(F)c1 768466563 GVBKYLDCNZLRSE-JYRVWZFOSA-N 429.473 2.221 30 10 IEEE C#CCN(Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 775907761 LTEQVLZHXLVOTK-QGZVFWFLSA-N 447.509 2.276 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)c(Cl)c3)c2=O)c1 776756155 UOWQPWLIXDOEDL-UHFFFAOYSA-N 426.860 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)C1 777303863 HOMABJUOBYIASX-MRXNPFEDSA-N 445.472 2.131 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnc(OCC3CC3)cn2)cc1C(F)(F)F 793111773 IDLJOLYPFOJANO-UHFFFAOYSA-N 426.376 2.275 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 796490424 NGAKRXFNUGINPE-PZJWPPBQSA-N 441.576 2.337 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)nc1C 800488956 WOKZOSVOPINVCX-IIAPUWBRSA-N 425.539 2.450 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCc1cccnc1C#N 813168503 QZCQEZRRHWECQN-HXUWFJFHSA-N 445.497 2.161 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 813650057 YJEJFHCRNPMYBV-OEAGWNGGSA-N 432.521 2.153 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2SCC(N)=O)c(C(F)(F)F)c1 918533949 FDOLOHRVFYMIMZ-UHFFFAOYSA-N 443.428 2.273 30 10 IEEE Cc1nn(C)cc1C=NNc1nc(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 1084213979 OMYFNSUIULINLW-UHFFFAOYSA-N 429.466 2.322 30 10 IEEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ccc1C#N 1124777915 YTVWDRCAKWXWFB-UHFFFAOYSA-N 425.510 2.202 30 10 IEEE COc1cc(CNC(=O)Cc2ccc(Br)cc2C#N)ccc1OCC(N)=O 1136269964 YTZAOHDPXCEXNS-UHFFFAOYSA-N 432.274 2.052 30 10 IEEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1146220773 KWKRWAKMKVPKLC-IEBWSBKVSA-N 430.530 2.043 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1156614792 LMIQMTIYABQYKU-UHFFFAOYSA-N 446.573 2.474 30 10 IEEE COc1cc2c(cc1S(=O)(=O)N1CCC(C#N)(c3ccccn3)CC1)C(=O)NCCC2 1189662763 FURQQFVPXQPSMX-UHFFFAOYSA-N 440.525 2.012 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1248374565 CFKBHESGMDAPIY-RTWAWAEBSA-N 440.544 2.324 30 10 IEEE CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](Cc2ccccc2)C1 1278302939 CYXXWVQOPXHCAO-FCHUYYIVSA-N 445.523 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1286282966 RBDOJQUBTGILTO-MSOLQXFVSA-N 432.528 2.446 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cc(OC)ccc21 1286376979 QHWXQOFDIHFREC-MSOLQXFVSA-N 428.558 2.378 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)C1 1288976221 VFIKGZJZGYUTCQ-LJQANCHMSA-N 433.419 2.365 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCOCC(F)(F)F 1291614888 DKHDPPLEEMKAQF-AWEZNQCLSA-N 435.468 2.369 30 10 IEEE CCN(CC)CCOCCn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1295542412 ADGLEOVIVUAFJW-UHFFFAOYSA-N 429.544 2.282 30 10 IEEE COc1ccc(COCCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1300232170 NXGVNHBWIOUJON-AZUAARDMSA-N 427.505 2.126 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1300286278 HERAUWSFVVIMLX-DOMZBBRYSA-N 430.896 2.053 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 1300301833 XLHZZMJTRGZQRX-KRWDZBQOSA-N 426.469 2.225 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300400750 KNKASYCWYVCCKL-UGKGYDQZSA-N 435.576 2.132 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300502312 RWVJQQQCNSBMEL-SFTDATJTSA-N 447.649 2.225 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1300505677 FNGXRXGQTLUSKQ-DLBZAZTESA-N 449.602 2.018 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(O)(CC)CC 1300528169 RKHHXUDNYKUEJY-UHFFFAOYSA-N 432.528 2.299 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)CC)CC1 1300682861 KGMJJOYIHDFXNN-ZOKDDAQRSA-N 433.553 2.081 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[C@H](O)C2)CC1 1300690682 GHWUKXYRWCDVKG-OALUTQOASA-N 439.560 2.269 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300901030 VQLCHYKWBZNQLQ-KURKYZTESA-N 426.631 2.411 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC)C(=O)C1 1301218962 XGEPPNMEUQJDAN-UHFFFAOYSA-N 445.593 2.263 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2)C1 1301538562 ISBFTAGPHAAXDW-MAUKXSAKSA-N 437.541 2.051 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1302190309 SOFYVPJXMPUGDY-LJQANCHMSA-N 438.488 2.315 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1302969400 DYRKNYJCKUEBHJ-YADHBBJMSA-N 438.576 2.210 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)c1C 1304028720 HQZNTDUCDDOTGT-HZPDHXFCSA-N 448.474 2.145 30 10 IEEE N#Cc1cc(CN2CCOCC2)cn(Cc2ccc(Br)cc2[N+](=O)[O-])c1=O 1307345436 CZWYKSPOXHCDGJ-UHFFFAOYSA-N 433.262 2.271 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC[C@@](C#N)(c4ccccn4)C3)CC2)C1 1307987450 GEOAIKNXRSMCMU-CPJSRVTESA-N 437.588 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)C1 1308155437 DHCZHGIAGTZUGY-UHFFFAOYSA-N 433.940 2.387 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1315109300 PMXMZFLSPBXNFU-RDTXWAMCSA-N 441.875 2.472 30 10 IEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)c1ccc(F)cc1 1315212411 CHPKWNOMLZYJAX-QILLFSRXSA-N 435.525 2.303 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(F)(F)F)CCO1 1316537103 AALZQTTWLQSEEZ-GFCCVEGCSA-N 449.393 2.249 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1358908993 QMWBQUTXECZURB-LJQANCHMSA-N 440.573 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1358959516 KOYNYMSWTKJOPA-HNNXBMFYSA-N 434.905 2.053 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358964556 BCPBONGNSJSDRR-DJPFJPOOSA-N 448.614 2.108 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358966537 RGNWWQIMIHMYHS-UYAOXDASSA-N 433.622 2.122 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C1CC1 1359009524 RNHLEJMBCHLYPW-UHFFFAOYSA-N 444.580 2.378 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1359013178 NMZQZWOTFYUVNZ-QGZVFWFLSA-N 432.569 2.409 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([S@](C)=O)CC2)CC1 1359032439 OFJYMCKOCWLDCF-PMERELPUSA-N 447.992 2.273 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1359053182 DQAIDVMPRDWTND-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)CC1 1359055699 MWVIXBRMWCWSIK-UHFFFAOYSA-N 430.578 2.150 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359057287 WLTPHRHWZCGVAX-RTBURBONSA-N 446.621 2.121 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359099914 UUSCFAKUMHEGJH-IHPCNDPISA-N 444.580 2.224 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359125791 SUJAJNDEIUTKEX-CVEARBPZSA-N 431.541 2.140 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359332039 NADGUEIRXVWUSZ-CQSZACIVSA-N 435.516 2.219 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccccc1 1452199643 FOKXBZVGVYELBN-WOJBJXKFSA-N 428.510 2.207 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCCN4CCSC[C@H]34)C2)C1 1455784552 CMTUBKFWZFPOBV-JALFLYODSA-N 434.606 2.469 30 10 IEEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C)CC1 1468447302 WKIVRIDYBYDVGH-UHFFFAOYSA-N 432.590 2.100 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C 1469245508 CZTFXXSELNGGOX-SJORKVTESA-N 435.546 2.281 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCOc4ncccc4F)CC3)n[nH]2)cc1 1469458750 HIWHQDAFWUSPGP-UHFFFAOYSA-N 435.463 2.393 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1503731564 DJINTPVLTMBJFU-XXBNENTESA-N 436.516 2.384 30 10 IEEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1504822021 ZJCNLQZROYFTQD-INIZCTEOSA-N 444.561 2.090 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCOCC(F)F)CCN1C1CC1 1505325476 SQUDDAANYMQKHB-GOSISDBHSA-N 431.491 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1507539050 QRXDNRPMULLUAR-GXTWGEPZSA-N 426.464 2.298 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1507635227 UTADDUBFEFBEJW-RBUKOAKNSA-N 444.605 2.186 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1507814876 FCPIIEIAFZTFRF-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2cccs2)cs1 1511544576 AKVLKPZCRWIYLO-BEFAXECRSA-N 430.559 2.332 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)F)C1 1516847888 RLUYZDZPVGKXRV-INIZCTEOSA-N 438.504 2.238 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CC2)CC1 1517613895 ASSMNHGXMLWCHH-UHFFFAOYSA-N 441.561 2.086 30 10 IEEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)c(OC)n1 1518269204 AAJCOOZNVKKKIW-GOSISDBHSA-N 447.499 2.198 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)s1 1532781802 XOQLUUBPMZEQOH-UHFFFAOYSA-N 429.527 2.209 30 10 IEEE O=C(C1CCS(=O)(=O)CC1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538727211 RPZFIVZVQCLQGN-IUCAKERBSA-N 429.329 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCn1cc(Br)cn1 1538962847 PURCHJXJAKVPJU-OAHLLOKOSA-N 448.369 2.411 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1538972778 LMBRSRIVEHODAT-WDEREUQCSA-N 446.396 2.219 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539230373 GEYADVCDXWZDJK-IAGOWNOFSA-N 426.608 2.146 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnn(C)c2C)CC1 1539440994 HHNGAGJGPZPCHY-UHFFFAOYSA-N 449.559 2.198 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)NC(C)(C)C)CC1 1539453648 OBICUGHDXKHKQQ-UHFFFAOYSA-N 426.540 2.068 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1539611934 FJJAKCYJPBUGAQ-AQNXPRMDSA-N 430.597 2.462 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)C 1540906953 HSNXYAJKMQZAII-UHFFFAOYSA-N 439.607 2.353 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1541112285 GOEMHGSGKCERNB-BPQIPLTHSA-N 428.512 2.251 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541115591 BPGLISBZXDKDHO-VJANTYMQSA-N 444.559 2.114 30 10 IEEE C#CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)[C@H]1CCS(=O)(=O)C1 1545062794 PRKBLIAIKLJVBB-HOTGVXAUSA-N 435.546 2.062 30 10 IEEE CCN(CC)C(=O)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1547410664 FNYMWPOWTYUPSF-IBGZPJMESA-N 428.512 2.385 30 10 IEEE COCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1555494671 XSJDGYNSFBHOBH-CQSZACIVSA-N 436.310 2.481 30 10 IEEE CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1555814929 OJAAMTXACAUEMU-ZWKOTPCHSA-N 432.525 2.113 30 10 IEEE COCCCS(=O)(=O)NCCN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1560192816 NJGJRPXQSLXBRI-AOOOYVTPSA-N 448.376 2.045 30 10 IEEE C#CCN1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CC1 1565339505 NNMPZDAIDCUJOF-LJQANCHMSA-N 434.581 2.189 30 10 IEEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1570830612 DHECJCKKERHOIR-INIZCTEOSA-N 432.933 2.471 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCn2ncc(I)c21 1587390948 GJKABLFIYBQCKZ-OAHLLOKOSA-N 430.246 2.096 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1587561979 JOOJCRUHUZYVDT-HZPDHXFCSA-N 428.562 2.379 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)c2)c1 1587855638 LMXSTMKFXFDMNN-YADHBBJMSA-N 442.475 2.241 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589097422 OOYYYXRXBCQRDM-LJQANCHMSA-N 432.615 2.443 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1589110386 UFVVDUDASHSXRV-LJQANCHMSA-N 438.557 2.200 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1594194786 XQMDZLMCDMEYNG-HSZRJFAPSA-N 447.580 2.003 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@H]2C1 1594820206 XIFSFFIYFDURFW-QGZVFWFLSA-N 433.503 2.261 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1594943684 XAOZOTZZGMFRRI-QFIPXVFZSA-N 439.589 2.252 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C(N)=O)CC2)cc1 1595614355 SJJOVIJQUQHPGG-IBGZPJMESA-N 425.533 2.487 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)n(C)c2)C1 1595982146 XEIZHRQXWDEVAQ-DNVCBOLYSA-N 426.542 2.215 30 10 IEEE C#CC[C@]1(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)CCCN1C(=O)OC(C)(C)C 1597293097 NIERDYQAKHVFRO-HSZRJFAPSA-N 443.548 2.369 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCOC1=O 1614025166 HIRPPZLDRXFXQE-UHFFFAOYSA-N 427.484 2.020 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C)(C#N)CC1 1617368292 NKYRCPRPNNVHEJ-UHFFFAOYSA-N 446.577 2.413 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1618909626 CNGNPGYAYRSVMD-OAHLLOKOSA-N 434.566 2.359 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)s1 1626812646 HEHYTWNHYBSPIF-UHFFFAOYSA-N 443.572 2.074 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C2CCC2)CC1 1627699252 BOLMONYMRDVCQO-UHFFFAOYSA-N 432.590 2.419 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 1632340479 LMMBSKMNAISEBT-MRXNPFEDSA-N 448.566 2.225 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1636626480 CEDWNRKZFWUCJS-SJLPKXTDSA-N 446.525 2.150 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1640719340 NIKJWFORHAJQFC-UHFFFAOYSA-N 449.507 2.468 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1645045752 GCCAJBZBDJVZCP-MRXNPFEDSA-N 430.505 2.425 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)NCc2cccc(COCc3ccco3)c2)c(=O)n1C1CC1 1653013563 CZYJKFORPVKCOC-UHFFFAOYSA-N 448.479 2.151 30 10 IEEE C#CCN(CC#CC)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 1653461978 YBONTQZLAXWCIH-JXAWBTAJSA-N 429.929 2.451 30 10 IEEE COc1ccc(Cl)c(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1 1654110703 AKKQAIREHGCRLI-NRFANRHFSA-N 433.984 2.163 30 10 IEEE COc1ccc(CN2CCN(C(=O)CN3CCC[C@@](C#N)(c4ccccn4)C3)CC2)cc1 1654465600 CGSYEHXHOIJWOE-VWLOTQADSA-N 433.556 2.292 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1 1659142583 OJHQYAOIGJCPEU-GUDVDZBRSA-N 433.574 2.158 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)cc1 1662091009 SISDWIYMXJEQLT-NHCUHLMSSA-N 428.510 2.123 30 10 IEEE COCCCNC(=O)C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1674054918 BABPGTVEKNORRI-UHFFFAOYSA-N 441.576 2.097 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1)[C@H]1CCCO1 1686184934 UKXGDFAMJLHTKI-NHCUHLMSSA-N 447.601 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccsc1 1690006627 VQBDDSCANNCQJA-UHFFFAOYSA-N 439.566 2.378 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1csc(CC)n1 1690100951 JAAIEPARZYHMPN-UHFFFAOYSA-N 442.545 2.353 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1690300730 IXABXQFZCJVZKM-IEBWSBKVSA-N 449.577 2.059 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](OCC(C)C)C1 1690665694 MQDBYHSLJKWSPV-SFHVURJKSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690672969 JRUVXXYJSFFDNF-UHFFFAOYSA-N 447.543 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCOCC2)C1 1690687935 LIANJBBNTGJJGN-GOSISDBHSA-N 444.532 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690700058 NCMBSSQTZQUCCM-NJYVYQBISA-N 432.613 2.327 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)(F)F)cs1 1693349853 ANWLLPAJWHGHKT-UHFFFAOYSA-N 441.483 2.442 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1(C)C 1693705046 HNOCJZYMYQERGR-ZHRRBRCNSA-N 443.573 2.239 30 10 IEEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)Cc1ccccc1 1696802439 HEFORERIGPZQTP-QHCPKHFHSA-N 439.539 2.365 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1697049275 VPCFUDXIAJWXAY-IBGZPJMESA-N 425.489 2.012 30 10 IEEE COC[C@@H]1[C@H]2CCN(c3nnc(CC(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@H]21 1698258823 AIZFTJPLGDGAJI-BSRJABJGSA-N 442.564 2.112 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(CC)CC1 1705593424 ARGXPAWGEHOONY-UHFFFAOYSA-N 429.572 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC2CCCC2)CC1 1705647172 BURPQDAUCHIQSZ-IBGZPJMESA-N 426.565 2.165 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1705676743 NAXZGIRFZWYKOF-PGRDOPGGSA-N 428.558 2.326 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705693534 HSACKRONMQSLFA-KSZLIROESA-N 448.568 2.112 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705738981 QQQNWGPXUIKJFV-MOPGFXCFSA-N 441.532 2.405 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1 1705907250 FRSLKCOUBAVSJW-HSZRJFAPSA-N 425.533 2.209 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)C1 1705924681 FMFYMRSJSVVUQE-RBUKOAKNSA-N 438.594 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(CC)CC 1705931286 LMSTXDSAQFSIFT-UHFFFAOYSA-N 430.372 2.493 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)n1 1707731996 AGGKKERWSXKKIE-AWEZNQCLSA-N 425.518 2.242 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H](OC)C(F)(F)F 1709137206 MGJBOXLIDBNBQQ-OAHLLOKOSA-N 440.474 2.048 30 10 IEEE CCc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1709146857 YDOQJUJZENAKRN-ROUUACIJSA-N 439.564 2.170 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1709908605 CAFMKQHRMKZBCC-UHFFFAOYSA-N 439.564 2.128 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1712611596 HXEUWPRRHFEXGD-IBGZPJMESA-N 427.505 2.259 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1722296568 RTLQNZJRBHLITL-CRAIPNDOSA-N 443.552 2.135 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCN2CCOC[C@H]2C)c1 1722310411 VNDRSFIGUZIPFO-GOSISDBHSA-N 436.560 2.323 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722357234 VGFOHVZUJNSOCR-IRXDYDNUSA-N 444.605 2.227 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCCC1 1722357711 NVMMNSVNOFFOFJ-IYBDPMFKSA-N 430.553 2.164 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1722366305 HLIUFZJKZNGIHJ-SFHVURJKSA-N 443.573 2.234 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccn(Cc2ccccc2)n1 1722373317 HHCFRDNUSXRGKU-RUZDIDTESA-N 444.539 2.296 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722454305 BLOQRIDLJCCABX-LJQANCHMSA-N 437.573 2.425 30 10 IEEE C=C1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722569201 QTQBWNPEMAAXKO-UHFFFAOYSA-N 430.574 2.159 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722623952 OPZLNGNDLHSUNM-UZLBHIALSA-N 441.532 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C1CC1 1722632480 VTYMNNQHFRUUSX-MRXNPFEDSA-N 432.594 2.300 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1722741654 SKTROCJAGCWMSG-IBGZPJMESA-N 429.590 2.318 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1722868543 LEBMGTOFJNPSEO-GHMZBOCLSA-N 445.442 2.381 30 10 IEEE CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1727989992 FUUUAPREJLWFNR-UAYHFDEJSA-N 444.536 2.051 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1(C)C 1730409124 XDESPRUPOJQRPS-IBGZPJMESA-N 440.548 2.458 30 10 IEEE C#CCCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740578036 AKDSKBUVQNEJQX-DEOSSOPVSA-N 445.608 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCOC1 1740632773 OMKIDHSMNGURFZ-SFHVURJKSA-N 440.573 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1740643240 JNRRZGSPOKFLSI-UHFFFAOYSA-N 425.558 2.062 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740665644 LDRJTPLRMIQHMN-SFHVURJKSA-N 443.983 2.396 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1740694855 VYQIBYRBYIBNCM-VQTJNVASSA-N 439.560 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1740724646 FXASURQMJMWFKG-HRAATJIYSA-N 431.562 2.246 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)CC1 1740841708 XLXQRKXUXHLAOV-FQEVSTJZSA-N 430.597 2.040 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740865808 VUDWKFQQDUEKJC-LJQANCHMSA-N 449.621 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1740994674 UVJHWRZKPJABQL-WFXMLNOXSA-N 438.594 2.300 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1741123587 GRZWBJDGJUTWAL-GOSISDBHSA-N 449.559 2.281 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1741284230 APIISNBYSCPDRG-KRWDZBQOSA-N 448.474 2.438 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccccc1)N(C)C 1744096225 AZNOYEPAXPPOFV-PMACEKPBSA-N 439.564 2.228 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCC[C@@H]1CC 1744696627 GOJCKFKSOJOCEH-MOPGFXCFSA-N 437.596 2.482 30 10 IEEE CCCO[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1745840027 MIBIRPSGCOCRNB-JLUOLNIDSA-N 428.537 2.467 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748819440 ORGNVAWEIGLUJI-RDJZCZTQSA-N 433.603 2.307 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1749055089 DRCLXSZRADXVFP-RPWUZVMVSA-N 445.608 2.422 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1749080303 LADZTUGNFZIDNG-RZRCNZQPSA-N 445.564 2.192 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749455071 SGWNCRZHNJNEBO-IBGZPJMESA-N 426.525 2.066 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749730996 YMIPJZRZXKSWGH-INIZCTEOSA-N 440.520 2.151 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1749755210 XDMNFDSLXJJMQI-SFHVURJKSA-N 446.621 2.377 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1760165503 UYCHOCGKEXLSOK-HSZRJFAPSA-N 438.532 2.332 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760186828 QZWZUXNNGWCUBC-FQEVSTJZSA-N 448.564 2.450 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760191639 LDBBFXLCJGQFMZ-ICSRJNTNSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(Cl)cn1 1760193715 NSZPJPVKODECEX-UHFFFAOYSA-N 435.875 2.126 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1760381390 KHWJBVBBJJRCOE-NRFANRHFSA-N 431.924 2.169 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(F)(F)F)CC1 1760389988 YIFYUICKYHWPKT-CQSZACIVSA-N 437.488 2.110 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760523520 AWMPGDLJALTGQP-SFHVURJKSA-N 440.548 2.084 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1761360162 HFYIQBGLWSYYMY-STQMWFEESA-N 437.426 2.460 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1761916688 OFXLDRMDUINFOW-XDOYNYLZSA-N 444.499 2.206 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1765106719 BMYUVLPYQLIYKR-GOSISDBHSA-N 434.548 2.297 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCSC)CC1 1765635523 MOPQNMWVRMKJSK-UHFFFAOYSA-N 441.605 2.218 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1766524106 CEFLGOPGUUIDSS-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1769695594 MTWBEUPJNMTHOC-HZPDHXFCSA-N 441.479 2.079 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1(C)C 1770630860 FUVPNKIAMUUYAQ-GOSISDBHSA-N 446.577 2.006 30 10 IEEE COC[C@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1770786760 PKDAVSCJNVMTFM-VLIAUNLRSA-N 437.447 2.397 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1F 1771496982 VWDUCPJAPRKKJH-LZQZEXGQSA-N 447.536 2.490 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)CC(=O)Nc2ccc(Cl)cc2)CC1 1851972144 OIYOKDWTMBYFMX-UHFFFAOYSA-N 427.892 2.301 30 10 IEEE CCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1852451318 ZLYBUHOXBWURJL-UHFFFAOYSA-N 432.546 2.063 30 10 IEEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)ccn1 1853652374 ADLVCCUTBQBWCG-AWEZNQCLSA-N 427.360 2.134 30 10 IEEE C=C[C@@H]1CCCCN1[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1854536065 FWXNTGAEBRVLQM-QUCCMNQESA-N 431.558 2.253 30 10 IEEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C1(C)C 1854779237 KVFYHHKAHSJDLT-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE N#CC1CCN([C@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1857305255 DPADDAHPRNKFMP-SFHVURJKSA-N 437.949 2.257 30 10 IEEE CS(=O)(=O)CCC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc(C#N)c1 1867019698 WHJGJIJTVGYSEZ-LJQANCHMSA-N 445.566 2.350 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccccc3F)ncnc21 1875231346 JYRJGJJODBJDFT-UHFFFAOYSA-N 438.507 2.119 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccccc3[N+](=O)[O-])CC2)CC1 1891063054 BTKDYLYWEGKXGT-UHFFFAOYSA-N 442.560 2.176 30 10 IEEE N#Cc1ccc(Cn2cnc(I)c2I)nc1 1963527014 MEKCZCWRSXNYPZ-UHFFFAOYSA-N 435.994 2.407 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2010030419 ZVVYLJOXSBFFLZ-CABCVRRESA-N 441.525 2.167 30 10 IEEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C1CCN(C(=O)OC(C)(C)C)CC1 2022849975 QORLAYBDZCKMPS-NVXWUHKLSA-N 439.553 2.122 30 10 IEEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2[C@H]2COC(C)(C)O2)cc1 2033814114 LJKLYLHSOLIBMV-UKRRQHHQSA-N 431.470 2.499 30 10 IEEE CC(C)(C)OC(=O)NC1(CO)CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2224097785 ODARIKWFNUTAFV-UHFFFAOYSA-N 433.358 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2COC[C@H]21 2224118752 BATZDMAIKOAIBH-DLBZAZTESA-N 431.342 2.205 30 10 IEEE C[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255539387 YQLWSGRWUVXNGK-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2255627431 SVFZYUIKQSTVRZ-HNNXBMFYSA-N 434.346 2.132 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255832460 MMMMIDWPYHZKKP-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C[C@@H]2C1 2265979741 HECSAUFVAXEGGH-MSOLQXFVSA-N 445.369 2.453 30 10 IEEE CC1(C)C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267134915 WFHUPACFJDOOIQ-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267137688 OQYZGSCAKIRGQW-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267183644 HJBAAJMXGZIZLT-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267282655 FNMLRPMWLJZBCQ-DOTOQJQBSA-N 449.357 2.068 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267483001 MDLPQIOHMKFFPJ-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C1 2267501186 UFNQYYGPZHCDFA-AAEUAGOBSA-N 444.259 2.416 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]3(C#N)CCSC3)cc2Cl)OC1(C)C 2282314388 YVYGCAYYJPVQAA-OAHLLOKOSA-N 434.801 2.378 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCCC3(C2)OCCO3)OC1(C)C 2282833490 HUPZEAZKIMZEGQ-UHFFFAOYSA-N 443.758 2.167 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1C 2296558710 NSOTXTOELDMVAY-NRFANRHFSA-N 437.496 2.153 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320555970 QROAUYOSRFKVRY-GDBMZVCRSA-N 437.321 2.343 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N=c1ccc2ncc(Br)n2[nH]1 2379812136 PLNYZMFTWQPJKU-NSHDSACASA-N 437.298 2.439 30 10 IEEE Cc1ccc(C(=O)/C(=C(\S)NCCN2CCOCC2)[n+]2ccc(N(C)C)cc2)s1 22694795 JYGIJDMCRTUYBL-UHFFFAOYSA-O 433.623 2.271 30 10 IEEE COCCc1nc(-c2ccc3c(c2)N(CC(=O)N(C)CCC#N)C(=O)[C@@H](C)O3)cs1 40609447 AQIJQLSGPRNJHP-CQSZACIVSA-N 428.514 2.485 30 10 IEEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3Br)n[nH]2)cn1 59310795 HANSLGXNTCDTGU-UBKPWBPPSA-N 435.311 2.478 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)n[nH]2)cn1 59887150 IPTFLVUPLRQRLZ-CNHKJKLMSA-N 442.465 2.170 30 10 IEEE Cc1ccn(N2CCc3ccccc32)c(=O)c1C#Cc1ccc(N2CC[C@H](C(N)=O)C2)nc1 89209863 ZSZMZVSKJGHTIE-NRFANRHFSA-N 439.519 2.089 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)C3CCC3)CC2)CC1 110926593 QYSRXDHUXKBOQG-UHFFFAOYSA-N 437.500 2.494 30 10 IEEE COc1cccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)c1OCc1ccccc1 169883475 HISFALDICXMGJH-UUYOSTAYSA-N 440.481 2.414 30 10 IEEE COc1ccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254412229 RFONJIXBOMSLBV-ZWKOTPCHSA-N 432.523 2.376 30 10 IEEE COCCNC(=O)c1c(N)n(N=Cc2ccc(C(=O)OC)cc2)c2nc3ccccc3nc12 254762223 BRSYXKUBPQALGT-UHFFFAOYSA-N 446.467 2.212 30 10 IEEE COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4cccnc4)c(=O)n32)c(OC)c1 254816249 DUWLIVFXTYBKIX-OAQYLSRUSA-N 435.505 2.236 30 10 IEEE Cc1nc([C@@](C)(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C2CC2)no1 433300940 GDKHYMCMCJBGEJ-UGKGYDQZSA-N 426.496 2.141 30 10 IEEE CN(C1CCN(c2cnccn2)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 433471498 OJNIBURTOCWZQO-UHFFFAOYSA-N 436.335 2.400 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460376358 SVJWWXVTYGLBAX-AVRDEDQJSA-N 430.574 2.287 30 10 IEEE CN(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)S(=O)(=O)c1ccc(Cl)cc1 461281515 IZEKPNYVQNETAP-UHFFFAOYSA-N 430.877 2.052 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 461489998 YQQKIRJPUMIYCM-INIZCTEOSA-N 425.580 2.123 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@]3(CCCOC3)C2)CC1 477047784 GMFBXSCLRSBSLS-HSZRJFAPSA-N 439.516 2.347 30 10 IEEE CN(C)S(=O)(=O)C[C@H](NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F 483775023 PTRPAUSZVUUKBI-QWRGUYRKSA-N 439.353 2.393 30 10 IEEE Cc1ncc(S(=O)(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc1C#N 489194914 IMDLUHHMZIXZNV-UHFFFAOYSA-N 433.965 2.406 30 10 IEEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cc1Cl 494327706 IKUORKNJCUKMSI-UHFFFAOYSA-N 443.891 2.230 30 10 IEEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 506863923 YNBYFVOBSCXKBD-RTBURBONSA-N 444.557 2.383 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 508840609 LZVAVFVGWZOFGC-SFHVURJKSA-N 448.531 2.246 30 10 IEEE C[C@]1(c2ccc(CNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)NC(=O)NC1=O 509685148 NTHAESHYYMUXSI-XMMPIXPASA-N 447.495 2.366 30 10 IEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C 514328588 HFNUXNHYOAOOPM-SFHVURJKSA-N 447.560 2.170 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CC1 518613590 NLBVOPVMLSHDNC-UHFFFAOYSA-N 449.511 2.262 30 10 IEEE C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccc(C#N)cc1 518748147 HKEQZBLGYXAPRJ-DNVCBOLYSA-N 441.509 2.327 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 522673454 VDSLDGXZWGARDC-UHFFFAOYSA-N 441.509 2.117 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 523178770 JCQGCZXTOCZUMU-INIZCTEOSA-N 432.492 2.485 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 523860948 NJVZBXNQJDJPHE-AWEZNQCLSA-N 447.538 2.177 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 533693531 WORFOSFQJCZSKD-MRXNPFEDSA-N 432.492 2.485 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CC1 537161742 WSBVWPAVMJQAJJ-DHIUTWEWSA-N 449.530 2.098 30 10 IEEE C=CCN(C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1)[C@@H]1CCS(=O)(=O)C1 539460916 KJVSGYHSCVQUKC-OAHLLOKOSA-N 432.502 2.256 30 10 IEEE C=CCN(C(=O)c1ncc(Br)cc1Br)[C@H]1CCS(=O)(=O)C1 546779265 WZEIBLVSXSJIAK-JTQLQIEISA-N 438.141 2.422 30 10 IEEE N#CCn1cc(C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccc(F)cc2)ccc1=O 586551395 GVEJDSVRXQPOMA-HXUWFJFHSA-N 439.468 2.456 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CN3CCN(c4ccccc4)CC3)cc2C1=O 607511246 FPQPTEQEXIQHSP-SFHVURJKSA-N 432.524 2.409 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2nnnn2-c2ccccc2)C1=O 730441257 CMZKNXYITSFQHO-QGZVFWFLSA-N 435.513 2.239 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1COc1ccccc1)[C@H]1CCS(=O)(=O)C1 731213818 UHGIHTXCWLAOLJ-NRFANRHFSA-N 426.538 2.004 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2=O)cc1 733757669 SDYAQVBZMSYOPE-LJQANCHMSA-N 431.452 2.294 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4c(C)cc(F)cc4[nH]3)CC2)o1 735163801 IVUWFHMKNQZVNO-UHFFFAOYSA-N 425.420 2.289 30 10 IEEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C#N)cc1 740177483 ZUUHXMFOMUVAGN-FQEVSTJZSA-N 430.482 2.301 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 765953282 DNCGUBPYPYGTNU-GCNCIRLRSA-N 449.577 2.445 30 10 IEEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)c1c(F)cccc1Cl 785137515 BIZGYBZILGVOET-QGZVFWFLSA-N 440.836 2.087 30 10 IEEE COCCOc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)cc1 789968091 OGXBPKBXCWDENE-SFHVURJKSA-N 442.545 2.332 30 10 IEEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)ccc1Cl 790683289 OZSAARBSPNDYDA-NRFANRHFSA-N 431.876 2.051 30 10 IEEE C=CC[C@@]1(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790772647 OSBODHTVTJVIHS-XXBNENTESA-N 437.581 2.282 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 794578353 BAVFXDBYRZVHHL-KRWDZBQOSA-N 442.585 2.375 30 10 IEEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 800888000 KCHMXRDKUIYFLO-CYBMUJFWSA-N 440.241 2.320 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)c1 812918256 DSAJBYSTQSIXIP-IXSYQRGLSA-N 432.468 2.465 30 10 IEEE CNC(=O)COc1ccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC 920587824 GWTRVQWFAANQDM-IOXSGPKDSA-N 445.516 2.296 30 10 IEEE CCN(CC)c1c(C=NNc2nc(SCC(N)=O)n[nH]2)c(C)nn1-c1ccccc1 1084152076 FNGXFDDJSHOTBV-UHFFFAOYSA-N 427.538 2.168 30 10 IEEE CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1125851493 DVCVNRPAOPYQGO-WMLDXEAASA-N 434.949 2.238 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C#N)C3CCCC3)CC2)cc1 1133069844 HZKPYGPPOZZSGR-FQEVSTJZSA-N 447.557 2.463 30 10 IEEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1ccccc1 1134862278 SMXONEMXMCCVLC-GDLZYMKVSA-N 448.522 2.331 30 10 IEEE CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(C#CCO)c2)c(O)nc1=O 1136501738 AWXWKQBRRHENHM-UHFFFAOYSA-N 426.517 2.368 30 10 IEEE CC1(c2cccc(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c2)OCCO1 1141573639 JZDUJIBYONWZCZ-HXUWFJFHSA-N 448.479 2.299 30 10 IEEE N#CC[C@@]1(O)CCN(C(=O)Cc2cc(Br)cc(I)c2)C1 1143196061 VODYMXKFSHZNFS-CQSZACIVSA-N 449.086 2.473 30 10 IEEE C[C@H](CC(=O)N1CCN(c2ccc(C#N)cc2)CC1)NS(=O)(=O)c1cccnc1Cl 1149507951 JCJZEGZTEJPMBG-OAHLLOKOSA-N 447.948 2.012 30 10 IEEE COc1cc(C(=O)NCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc(OC)c1OC 1156148365 RBUUPTRDEKQPFH-UHFFFAOYSA-N 425.485 2.451 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C2 1158216541 YDESCSFGQDKMFB-LBPRGKRZSA-N 431.499 2.361 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 1159098671 MAXFPKCMWFMYCN-NJAFHUGGSA-N 435.546 2.421 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1 1170344763 AGXRDMCKXSLEMX-DOTOQJQBSA-N 435.546 2.116 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccccc3)cc2OCC)CC1 1175514783 ILXMCIIPGDXJAG-UHFFFAOYSA-N 433.555 2.039 30 10 IEEE CN1CCC(N2CC[C@H](N(C)C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)CC1 1252506693 FCIZFQOLVBSZFQ-DEOSSOPVSA-N 438.620 2.333 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN(C)CCOC 1286275084 POJBQZJTZAGVFP-OAHLLOKOSA-N 437.386 2.472 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 1286340939 AMSMVTASWHCBBQ-IAGOWNOFSA-N 431.562 2.304 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)NC(C)C)CC1 1286644977 PPRIRKDKGSQTKN-UHFFFAOYSA-N 435.532 2.356 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)C 1286745706 ZXQKYUUYPNIAIE-QFIPXVFZSA-N 431.512 2.350 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H]1C 1286798525 ISISGHLWAAUUPM-SJLPKXTDSA-N 432.546 2.018 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2cccc(I)c2N)CC1 1298660065 GTJXUAUAVHINEN-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1300302938 FQNIUVDLKLRQCH-OAHLLOKOSA-N 446.515 2.457 30 10 IEEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300351813 AYIUEIDLZVLYBS-FQEVSTJZSA-N 441.532 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(OC)nc1OC 1300538266 OKFCRYVPRFFHMS-UHFFFAOYSA-N 431.496 2.411 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2c(C)noc2C)CC1 1300689375 UXODSIPHVSHUDJ-UHFFFAOYSA-N 435.488 2.456 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1300732302 AIQSWGLGNXBBQT-SJORKVTESA-N 426.546 2.440 30 10 IEEE C#CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1300777823 DJNIDEHYMYHDKJ-TZMCWYRMSA-N 442.517 2.067 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301029675 SXZDHZQBVWFZOV-QGZVFWFLSA-N 439.907 2.336 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1301246681 VUTIGYJWNZSWAX-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](COC)C1 1301489851 DZTQKFNSXDOPBF-CQSZACIVSA-N 440.331 2.406 30 10 IEEE COCCCN(C)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1 1301607244 JNVQPCKJQZGBLD-LJQANCHMSA-N 449.559 2.499 30 10 IEEE CSCCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1302789063 YZNVXROYWQYEOE-CWFNNOHCSA-N 434.566 2.235 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1303051109 AZQYGMIBGFAYSW-UXHICEINSA-N 438.613 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)C1 1303452145 IJACDBGRNVDGNH-MRXNPFEDSA-N 446.529 2.194 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 1303557318 BYHQOVMZGMSYEX-INIZCTEOSA-N 427.364 2.217 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)C1 1303940231 VVVFFEGDHZLHCT-DBXWQHBBSA-N 448.593 2.097 30 10 IEEE CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1310603753 CZAOJRHVYLIHFJ-UHFFFAOYSA-N 429.502 2.306 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2OC(C)C)CCOC1 1314138805 FBBOOAZNZANAOB-XXBNENTESA-N 441.532 2.494 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)(F)F 1314886664 SLCHQCCDUZCBOT-UHFFFAOYSA-N 431.440 2.224 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1316046000 XEMISEFJOXTWQZ-UHFFFAOYSA-N 448.531 2.190 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)NC(=O)NC1=O 1318432267 PLFDMGANOAXDRT-DEOSSOPVSA-N 447.495 2.084 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1358384504 JZXJVNWJLCOOCN-UHFFFAOYSA-N 439.530 2.472 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358962700 VBILFQGAYUBZSX-IIBYNOLFSA-N 448.976 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC)c(OC)c1 1358984050 GITJJDVKARTCQW-UHFFFAOYSA-N 435.528 2.433 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H](C)C1 1358992104 ZZXFRFFXJUALJD-RBUKOAKNSA-N 444.539 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1359010517 SCLFISPMZTWQEH-HNNXBMFYSA-N 433.603 2.218 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCCn1cc(Br)cn1 1359027711 TXINFVZKWWBPAG-MRXNPFEDSA-N 437.342 2.265 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(O)(CC)CC)CC1 1359031023 NSULEHIPYMHFKR-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359157813 UZXCWCMQTSQFFI-FXAWDEMLSA-N 436.944 2.173 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@@H]1COCCO1 1359243025 ATDIORVRMABGRS-JOCHJYFZSA-N 440.592 2.071 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359287909 DNLVZCMYFYHPED-UHFFFAOYSA-N 432.519 2.324 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1360169714 PSVRRBUBIXNFCU-IBGZPJMESA-N 438.532 2.468 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1360482322 AJCUZHRQSDYSBE-BMGDILEWSA-N 428.541 2.146 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1447472102 GNYGFUNYOVCYNE-IEGACIPQSA-N 447.413 2.133 30 10 IEEE C=CC1(CC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)CN(C(=O)OC(C)(C)C)C1 1454501265 UTFQCZGOKRROST-UHFFFAOYSA-N 431.489 2.326 30 10 IEEE C=CCN(Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1461944252 XTVNYWXXCHOLLE-DLBZAZTESA-N 439.582 2.025 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3sccc3CC#N)cc2)CC1 1464749874 UMHIAYBIAJGLFV-UHFFFAOYSA-N 440.569 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCc3ccnc(C#N)c3)nn2)CC1 1467726285 DONNPTCOQIATNJ-QGZVFWFLSA-N 425.493 2.437 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CCN(C)C(=O)OC(C)(C)C)C(C)C)CC2)o1 1473812228 FWADAJILLXNJDF-UHFFFAOYSA-N 448.568 2.081 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OCCO)c(OC)c1 1503074624 FNCXIUPBEZEHRS-QFIPXVFZSA-N 429.521 2.373 30 10 IEEE CO[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOC1 1504054023 HSHSQAOSSBCHDD-HSZRJFAPSA-N 439.564 2.265 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C1 1505016593 CXPAQEMBZKYTJI-FQEVSTJZSA-N 440.548 2.317 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@@H]1C 1507605117 PJSUDWBSDNRRRZ-RDJZCZTQSA-N 430.578 2.289 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1507625256 HXEZZPCKNHFYBJ-QGZVFWFLSA-N 437.363 2.218 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1507795909 FVUOCAFURPNNIV-RKVPGOIHSA-N 437.495 2.256 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1508040067 SIYHNBIWRYNCKP-MRXNPFEDSA-N 439.607 2.135 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@@H](C)C2)C1 1516400170 CWLRIJJKRVWWBC-JVPSVYLMSA-N 441.532 2.274 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1517221745 LYAXYEDFDMKSHS-UHFFFAOYSA-N 438.504 2.238 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1518749429 QPKBRIMTFSPGSL-GOSISDBHSA-N 426.496 2.392 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1519165113 MYGPCIFAVFCWSV-VAMGGRTRSA-N 448.612 2.426 30 10 IEEE COC(=O)c1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(S(C)(=O)=O)c1 1526394020 GIDYNYMDTBSTRK-HNNXBMFYSA-N 445.472 2.352 30 10 IEEE Cc1c(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(F)cc1 1534198998 DSAHHQCLTQHHJE-SFHVURJKSA-N 447.430 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1534664298 IGEGJAUGJQOEMB-INIZCTEOSA-N 446.504 2.490 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539024342 STAPEGIJMDGNSL-QFBILLFUSA-N 443.621 2.034 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CCC)OC)c1 1539043345 OZZAWFQZLDIDTE-OALUTQOASA-N 438.532 2.101 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539222569 WPUPADZUQCJBGB-UGKGYDQZSA-N 428.558 2.080 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC(OCC)C1 1539242377 SWAWXIQGRHTHLQ-UHFFFAOYSA-N 446.349 2.049 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 1539380185 YVPRXWRAIAQNAB-MRXNPFEDSA-N 447.312 2.467 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN(C)c2ccccc2)CC1 1539444797 UGYODMPKDYLUNM-UHFFFAOYSA-N 432.576 2.350 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2c(C)noc2C)CC1 1539484214 HJTOIHINOMWAKD-UHFFFAOYSA-N 447.543 2.077 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1540047821 MZSUHAZOGKIDQR-IEBWSBKVSA-N 432.594 2.348 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1n[nH]c(C)n1 1540200642 GALSGNVOSBZHCA-SFHVURJKSA-N 425.493 2.099 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1540912904 FFIIXCDOEILBEW-OAHLLOKOSA-N 426.546 2.336 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)n[nH]2)c1C 1544127320 CRFMKFXDMPVTRP-UHFFFAOYSA-N 433.516 2.137 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)s1 1544811686 HCDUYMXKBYBDHG-GFCCVEGCSA-N 426.482 2.325 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1545057963 CDORPFPIKMIIFI-KRWDZBQOSA-N 426.521 2.116 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1546947632 BLEPWXQTMJIEHY-IBGZPJMESA-N 431.500 2.364 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1552920089 GNLQJVWYOGXNJZ-IBGZPJMESA-N 429.546 2.257 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1555714391 VWXZXESYNFLSPI-UHFFFAOYSA-N 436.520 2.180 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC[C@H]2CCCO2)CCO1 1555994854 KNQKWTHHVQHGBM-MOPGFXCFSA-N 429.496 2.322 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(Cc1ccccc1)[C@H](CO)C1CCC1 1557182749 RTCFFQGADMJYCJ-VGOFRKELSA-N 441.553 2.415 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1 1557234651 MCFBASQTPOBQSC-JOCHJYFZSA-N 439.493 2.133 30 10 IEEE C[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H](C)N1CCO 1569177757 OMSRSCLLKSUZEG-FVJLSDCUSA-N 442.560 2.306 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C1CCN(C)CC1 1585114824 CMEFQIXGYSNQFE-UHFFFAOYSA-N 431.602 2.260 30 10 IEEE Cc1c[nH]cc(Br)c1=NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1585917503 GXOWPHVAVOCVRV-HNNXBMFYSA-N 442.273 2.290 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588034769 LSIRPEAFWALJFU-LPHOPBHVSA-N 446.573 2.109 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSc1ccc(C)cc1 1588180692 IPLSCDRKXMIKGX-SFHVURJKSA-N 445.614 2.452 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1588451634 CFRIBAUKHFBYGV-UHFFFAOYSA-N 440.592 2.351 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1nc(C)no1 1588581127 HTOJTGUAPFEDRH-UHFFFAOYSA-N 448.325 2.446 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2cc(C)no2)n1 1588722879 HYOVFKIBRRGBJN-HXUWFJFHSA-N 439.520 2.347 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(F)(F)F)CC1 1588733490 VEZQGWSRSXDOLH-UHFFFAOYSA-N 435.454 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ncc(CC)s2)CC1 1588930051 MDTBFGGUSLOHTP-QGZVFWFLSA-N 442.589 2.009 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589036946 RQOJKMVGOZLNSC-SFHVURJKSA-N 429.571 2.197 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1594533689 FFANWUZQYCURLG-MOPGFXCFSA-N 445.589 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1595500835 GGTDPTQUAWWMOW-HXUWFJFHSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1595529616 AYIQMLFZDRNMPI-QFIPXVFZSA-N 440.935 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CCC 1595530290 ZQHSDCTZJNZZHP-OAHLLOKOSA-N 433.582 2.165 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1595649846 VVGUGHUUJNTEBE-FQEVSTJZSA-N 435.532 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1595788909 KKLKQIRAYXSMOF-QZTJIDSGSA-N 442.520 2.278 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1596831643 OSHZWHZCXKJLGS-RDJZCZTQSA-N 444.540 2.148 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1611319774 NJIKBHQKNCDSKZ-LMGVVVSRSA-N 445.568 2.265 30 10 IEEE C[C@@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1612816968 GAYFLGJKKVAQOX-YLJYHZDGSA-N 442.589 2.173 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCSCC2)CCOC1 1616200828 ABDZSTHCPCSBHY-NRFANRHFSA-N 434.610 2.109 30 10 IEEE CCOc1ccc([C@]2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2(Cl)Cl)cc1 1616336193 MHRLRRJJTJJRFO-QGTPRVQTSA-N 443.352 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCO[C@]2(CCOC2)C1 1617132300 PFMCOBWQUYJHNX-WMZHIEFXSA-N 427.501 2.410 30 10 IEEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c(CC2CC2)nnc1N1CCO[C@@H](C#N)C1 1618488917 SMBJSCQKACVAKJ-NSHDSACASA-N 429.834 2.413 30 10 IEEE CS(=O)(=O)c1ccc(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 1628900275 CQFUTEVOAPYHAG-FQEVSTJZSA-N 430.505 2.050 30 10 IEEE CC1=NNC(=O)[C@@H]1CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1632758880 XIUJFHPMZRXABY-SJLPKXTDSA-N 425.489 2.021 30 10 IEEE CC1=C(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)S(=O)(=O)CCO1 1636463635 LJLSGXHBPXNWPB-YUMQZZPRSA-N 443.312 2.292 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cn1cnc2ccc(Br)cc2c1=O 1639961632 GIATZSNGIDYQNF-GOSISDBHSA-N 441.285 2.223 30 10 IEEE O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1641855882 UTAGKUIOHWOJCL-UHFFFAOYSA-N 438.408 2.201 30 10 IEEE C#CC[C@@H](NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1)C(=O)OC 1655602623 FWNJXLLQGMHPES-YTFSRNRJSA-N 440.565 2.447 30 10 IEEE C=CCCSCCNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1672601290 JJSBJOUORFQIER-UHFFFAOYSA-N 429.564 2.147 30 10 IEEE O=C(NCc1nnc2n1CCOC2)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682017102 WZNVKCLBOWAOTA-HTQZYQBOSA-N 449.302 2.121 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 1683051325 JDMVMOBKTDOXKY-CEXWTWQISA-N 432.565 2.193 30 10 IEEE C#CCOc1ccc(CNC(=O)N(C)Cc2nnnn2-c2cc(OC)cc(OC)c2)cc1 1686548999 SMWOWPMVQMANEI-UHFFFAOYSA-N 436.472 2.033 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC(C)(C)C)nc1 1690092790 WAFKDATYVUPYKC-UHFFFAOYSA-N 428.537 2.123 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690177377 SWYPZDMORNZHSU-LJQANCHMSA-N 442.564 2.415 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1690190571 ZLVKZXHUVQXSTJ-HRAATJIYSA-N 431.562 2.246 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690196428 KGZBQUWBFPOHIE-PGRDOPGGSA-N 438.557 2.090 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690306620 YYAYKTWAKPUHQM-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@](C)(O)c2ccccc2)CC1 1690364263 MOOHWZQWLORYNC-UTKZUKDTSA-N 433.578 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCCCC2)C1 1690709383 GNDRBIJPCUGMCB-LJQANCHMSA-N 430.597 2.446 30 10 IEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1691026421 CRPMHTSGURMYFJ-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@@H]1CCOC1 1691102009 ZISIBNGDNLLRDF-LJQANCHMSA-N 439.564 2.364 30 10 IEEE CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1695169530 FYWBDIZNQIRKIY-UHFFFAOYSA-N 449.559 2.278 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1696597582 HVZOCVZPUSYSNX-PGRDOPGGSA-N 431.560 2.467 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1698129601 NHAIZBSAIWZDIB-HMFYCAOWSA-N 433.553 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC[C@H]2COCCO2)c1 1705503928 IREMLNMWOPBGSV-IBGZPJMESA-N 425.533 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1705579299 SEPMLDUDWDXEJX-QFIPXVFZSA-N 426.524 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)Nc1ccc(F)cc1 1705600594 FONOXLXFYRODKT-UHFFFAOYSA-N 433.491 2.380 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[S@@](=O)C(C)(C)C 1705623065 FSBCVPCHMVPVIH-SSEXGKCCSA-N 433.534 2.487 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705655756 QNDSZRONLXNSAL-GOSISDBHSA-N 433.965 2.306 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1705900013 NHVMNQPKFMIVCY-HXUWFJFHSA-N 434.500 2.229 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705950349 YJYZFLSCLAUIKN-GHTZIAJQSA-N 437.610 2.343 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCOC2)C1 1706177548 HWWZXRKIHSVVQD-BDXSIMOUSA-N 446.552 2.204 30 10 IEEE CC(C)N1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1706573444 MWHZHMQBSZWSCU-MRCUWXFGSA-N 443.596 2.314 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2conc2COC)CCOC1 1710463426 FEHWYTPFFVTAGQ-SFTDATJTSA-N 430.509 2.243 30 10 IEEE CCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710803118 OUXLWYOQTCUVOO-LJQANCHMSA-N 425.537 2.192 30 10 IEEE COCCCN(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1712383505 ZYDUFFQIIKPFBU-NRFANRHFSA-N 440.548 2.499 30 10 IEEE COCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1712410237 GTSPLTITBRRABE-HTXNQAPBSA-N 448.886 2.347 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1722278182 PDTVYUVHSNFWHO-DNVCBOLYSA-N 432.546 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1722305723 KZJVNXNBCCSEDW-QNMAAYJSSA-N 440.548 2.181 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722307017 YGHMYIYGQOCFKY-NCOADZHNSA-N 429.487 2.344 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 1722364708 MKCJLGQTCHIKHH-GDBMZVCRSA-N 444.586 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnc(C)s1 1722392168 AEBFEPKPOQPDKR-UHFFFAOYSA-N 429.513 2.197 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2ccco2)CC1 1722435008 DNOXVIUPXNLATK-UHFFFAOYSA-N 438.919 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1722444878 HEURPPFJENASAJ-TZIWHRDSSA-N 436.560 2.367 30 10 IEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1722564692 SVHIVUQIOTWXBC-KRWDZBQOSA-N 449.577 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722727806 RLACIROFECWHHI-KRWDZBQOSA-N 439.582 2.251 30 10 IEEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1723028806 RMCVKKGCMCZUEE-HNNXBMFYSA-N 439.486 2.279 30 10 IEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1730733596 CPUBYABIGOLZST-QGZVFWFLSA-N 430.578 2.249 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1731090880 HCSIWSLGPLUEAL-QGZVFWFLSA-N 436.545 2.302 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OCCOC 1740530976 CHMOCGAHHAITEV-KRWDZBQOSA-N 434.500 2.457 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1C 1740612866 LDPWIBQFUCWOQY-FGZHOGPDSA-N 436.604 2.385 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1740618123 CMMDBJARPUKZBV-MRXNPFEDSA-N 443.529 2.380 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)CN(C)C 1740684439 RJCKLQRMHIDDFK-UHFFFAOYSA-N 437.548 2.268 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1740731847 JKSSSFJLFVDMFD-WIYYLYMNSA-N 430.578 2.076 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1740735999 JUGNDHQIWGNVNH-MZLICYQSSA-N 444.624 2.020 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1740774094 LQDGUQSRJYUQEB-FQEVSTJZSA-N 441.532 2.442 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740792789 MGEYXGPRZOLROJ-QFBILLFUSA-N 427.505 2.050 30 10 IEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1740879316 FLBOASLFZSYZFG-UHFFFAOYSA-N 430.528 2.173 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740957071 AJLQSPQDZJHYAM-IBGZPJMESA-N 445.527 2.132 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740963666 SXCSLHMXEKFFOJ-IBGZPJMESA-N 438.532 2.282 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1COc2ccccc2O1 1744050581 JKYHNDSLWYYVNX-AOMKIAJQSA-N 442.495 2.478 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@@H](C)O1 1745056054 DTZSRXFQSLCJTD-SJLPKXTDSA-N 436.520 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748642159 MURRTAPAAUYUST-CLOONOSVSA-N 437.588 2.487 30 10 IEEE C#CCCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748762932 UDIXQDYKNTVPLO-MFEFFIJZSA-N 444.580 2.425 30 10 IEEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748783221 IKIIABUFCIPBTI-XYJFISCASA-N 426.521 2.367 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1748816307 YROPANUGWKAVFJ-IBGZPJMESA-N 443.573 2.404 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCC 1748940324 ICFHPHSIGVAJCZ-UHFFFAOYSA-N 449.490 2.231 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1748988946 DAZXIOCJTXFKBV-JTHBVZDNSA-N 436.604 2.448 30 10 IEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1749023679 ULDNDHHSAJPQFH-FQEVSTJZSA-N 441.601 2.481 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1749037727 HLRLNDKARHORHN-QGZVFWFLSA-N 429.594 2.241 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 1749216482 OCCDGRFHGIUKDN-UHFFFAOYSA-N 442.488 2.374 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1749575855 YDOGPMYWRAOVBI-GOSISDBHSA-N 431.562 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(C(C)(C)C)CC1 1749737149 XSXPBKVZJKDXHK-UHFFFAOYSA-N 446.621 2.175 30 10 IEEE CSCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1750315524 RMNNFDBEVFMSCA-AWEZNQCLSA-N 425.518 2.466 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)C1 1750379020 AMQAZJICHDDBLU-UWJYYQICSA-N 447.536 2.478 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750862636 YMZLTIAZKLDPCE-QBEKEKFNSA-N 428.537 2.008 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCOCC1 1760196685 WAMPEXMJXLRSCK-UHFFFAOYSA-N 447.308 2.461 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCN(C)C 1760212338 XBTXOLYRPWJMHD-UHFFFAOYSA-N 433.354 2.077 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)CC)CC1 1760270270 NNPPQSDAFKVJMF-XMMPIXPASA-N 439.560 2.004 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(C)cc1 1760281531 NZKQCKIVIRNDOC-GOSISDBHSA-N 448.614 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1760552632 VNADBBFSCJPGRO-UHFFFAOYSA-N 447.561 2.063 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC#N)CC1 1765559344 CWRUOVPKMBPBOJ-QUCCMNQESA-N 441.628 2.152 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1766629295 PARILJGJQFPUGM-UGKGYDQZSA-N 443.573 2.317 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1766959336 JJGLIUQVBBRHPR-QZTJIDSGSA-N 429.546 2.255 30 10 IEEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)OC2CCCC2)C1 1767515416 NSZDNQJYIPHTBR-QFIPXVFZSA-N 426.521 2.106 30 10 IEEE COc1cccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1768848199 DRXKSFLEQNYDMT-BBWFWOEESA-N 447.561 2.252 30 10 IEEE COc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)NC(C)(C)C 1772793088 SZXUFUQJHAWGKD-UHFFFAOYSA-N 432.454 2.140 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2F)C1)c1snc(N2CCOCC2)c1C#N 1852379422 WTJHQJHCYXQVIK-HNNXBMFYSA-N 443.504 2.002 30 10 IEEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1856252685 QIBSEQTVAODKBO-SFHVURJKSA-N 431.558 2.134 30 10 IEEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCCNC=O 1862604527 DTLCXWACRPNZKP-NRFANRHFSA-N 436.464 2.481 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004518 CESRXOLQCWJRCU-SFHVURJKSA-N 429.546 2.387 30 10 IEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1870107280 BMURSERWIGFMKM-IBGZPJMESA-N 428.452 2.457 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1890056034 TYKMORCYGWPDRF-KRWDZBQOSA-N 431.452 2.418 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(NS(=O)(=O)C4CC4)CC3)n[nH]2)c1C 1891568215 NSSFLKNAMFULKR-UHFFFAOYSA-N 446.577 2.153 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1984785257 XURWBXXJTKTGMS-KGLIPLIRSA-N 429.514 2.330 30 10 IEEE C#C[C@@]1(Oc2ncnc(I)c2N)CCN(C(=O)OC(C)(C)C)C1 1986534821 GIFNRGPEAOTCPU-OAHLLOKOSA-N 430.246 2.055 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 2010223321 BEGFCILWJQTGCZ-HXUWFJFHSA-N 429.561 2.436 30 10 IEEE CN1CCN(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C#N 2060790670 SNUHTHVDHCNOMJ-RDPSFJRHSA-N 442.560 2.497 30 10 IEEE C=C(CS(=O)(=O)NCC1CC(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435207 MPWZUVIWTOMSOP-UHFFFAOYSA-N 430.376 2.397 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2255594863 FLCFMGIUTIQKOD-OKILXGFUSA-N 434.346 2.179 30 10 IEEE Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255622948 HJMDIJZOFOMLAP-MIFYACCESA-N 432.326 2.482 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626895 LRVAQHJQSHWEHH-KGLIPLIRSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2255825574 BTPCMRJKXIQZIL-UONOGXRCSA-N 434.346 2.131 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 2255955171 JNXYBWBOUGGWHC-VQTJNVASSA-N 448.394 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2256621513 VYHUMPKMKHEPPY-CYBMUJFWSA-N 442.268 2.088 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2259126471 MTMLUNQSUXVWCE-UHFFFAOYSA-N 432.370 2.399 30 10 IEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997156 SUIKLSDXPZMUQS-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267104447 XENNZNNUUZGBGM-ROUUACIJSA-N 446.353 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267148310 XWOYQEBYUQGQTB-VRKREXBASA-N 446.357 2.131 30 10 IEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CNC(=O)OC(C)(C)C 2267167230 CRORREPCXKHMPK-HUUCEWRRSA-N 446.357 2.009 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2267492316 RCGVGKVDHVVPAK-SHTZXODSSA-N 448.373 2.143 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@]2(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508867 LRLHPLGFJHAFJZ-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)OC1(C)C 2267518281 AVIAIHNAADZRRX-KOSHJBKYSA-N 436.365 2.303 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267588788 QWPBUMZWUJUASR-DOMZBBRYSA-N 441.259 2.052 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2267590949 VNLJGFULBHMPNM-LSDHHAIUSA-N 438.255 2.282 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268652640 VPGYYYPWCAWICT-PEBXRYMYSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2271460055 CSYWVTRXHUTSFU-KRWDZBQOSA-N 444.341 2.213 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2301374111 SUBOXDILURMWDO-AWEZNQCLSA-N 441.765 2.356 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@@H](O)C#Cc1ccccc1Br 2313862873 NUKLFEKJSWWQRP-CABCVRRESA-N 432.336 2.099 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2315398682 JQXYCNGBUXMBHE-KRWDZBQOSA-N 433.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317256478 OTHFOZSUFNXJCQ-CABCVRRESA-N 436.289 2.226 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C 2337202552 LETNYOOIKIMRCK-SFHVURJKSA-N 438.381 2.360 30 10 IEEE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 33386005 HWGNKGYMAAMUTN-ATVHPVEESA-N 445.614 2.319 30 10 IEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1C 103097022 RKNKUMHUEZQFGF-BWHWTHMTSA-N 440.500 2.187 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 105465253 RPDGRHUWWMXNPX-UHFFFAOYSA-N 433.915 2.092 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)cnn1CCN(C)C 406944588 OUHMIJCHDCQKNM-GJZGRUSLSA-N 428.375 2.384 30 10 IEEE C[C@@H](C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)n1cnc(C#N)n1 409947524 UUUJIEDUFMVJPY-AWEZNQCLSA-N 430.424 2.024 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 429953572 XHGZRXNGZPSJGX-BEFAXECRSA-N 426.498 2.467 30 10 IEEE CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCN(c2ccccc2F)C1=O 435012882 LJKLIDPRRJFZJI-KRWDZBQOSA-N 425.464 2.456 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1O 442929653 GFXLKCITAMCQSI-JTQLQIEISA-N 429.376 2.468 30 10 IEEE COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 470532816 QLRQEGOUZRDSER-UHFFFAOYSA-N 441.532 2.371 30 10 IEEE COC(=O)[C@@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(OC)cc1OC 471557236 GLACYWCIDJPNBS-FQEVSTJZSA-N 427.457 2.256 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCCc2ccccc21 507523032 ASDUIDLEJHQACZ-SFHVURJKSA-N 437.525 2.494 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2C)CC1 508971701 VPTRRDIRXPUIGI-UHFFFAOYSA-N 446.555 2.485 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4nccn4C(F)F)CC3)cc2C1=O 521583299 ACYMPDSEDDJGSC-UHFFFAOYSA-N 429.427 2.018 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CC(=O)N2C)cc1 522518448 RYVSRKABLPEMSL-BGWNEDDSSA-N 432.524 2.451 30 10 IEEE Cc1cc(C)cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 525404996 QKQIQFYCYZBOPB-UHFFFAOYSA-N 426.542 2.434 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1Cc1ccccc1 527027847 CBTSBAQIDQBNAC-UHFFFAOYSA-N 447.535 2.465 30 10 IEEE Cc1cc(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)nn1CCC#N 537513366 MARDTLWUAKEDKZ-UHFFFAOYSA-N 430.534 2.353 30 10 IEEE COCCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 545464141 UQDHTYVLBXKKAR-UHFFFAOYSA-N 432.484 2.127 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](CNC(=O)CC(F)(F)F)C3)cc2C1=O 552287898 UOQSULWFQNBNDT-CYBMUJFWSA-N 437.418 2.389 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 558994362 WYNFFIGRDIXKHH-SFHVURJKSA-N 446.533 2.434 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)CC2)c1 560608082 DQPFIINMFQGAQW-VXKWHMMOSA-N 432.499 2.444 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(CS(C)(=O)=O)ccc3OC)cc2C1=O 569206905 LVCOXKIDNKIUMZ-UHFFFAOYSA-N 428.466 2.274 30 10 IEEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N(CC)Cc1cn(C)nn1 570203754 LIGHISBPBREHCX-UHFFFAOYSA-N 449.607 2.245 30 10 IEEE CC(C)(CCC#N)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 581508835 DCRFBQPIWCHPAR-UHFFFAOYSA-N 444.351 2.249 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 585764070 QDYGZIPSYYPNPU-OAHLLOKOSA-N 448.495 2.242 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 590972981 BLFNJHZEDFXPLK-UHFFFAOYSA-N 425.460 2.206 30 10 IEEE CCOCCOc1ccc(Br)cc1S(=O)(=O)NC1CCN(CC#N)CC1 611532969 IWFHYKLUEAHDPG-UHFFFAOYSA-N 446.367 2.131 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@H]1CCCO1 614902452 BELDHKFMNWMPOV-GOSISDBHSA-N 433.533 2.365 30 10 IEEE CCn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1C[C@H]1CCCO1)CC2 619849975 CETSCLDUSJEJKO-LJQANCHMSA-N 431.500 2.135 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2F)c1=O 669650592 KFARHMLQTZJDLO-UHFFFAOYSA-N 444.528 2.356 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCOC(C)(C)C)cn1 730725708 YDWDWWXIGVIYGV-OAHLLOKOSA-N 445.549 2.468 30 10 IEEE C#CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 733673351 XHAWWSZJXIHNCQ-UHFFFAOYSA-N 435.299 2.360 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)/C=C/c1cnccn1)CCCC2 740965676 LXFYQAZVTHESMQ-OZSKJFCKSA-N 435.484 2.403 30 10 IEEE C#CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 742213437 IOZUTLYAYPAJSA-IBGZPJMESA-N 443.573 2.058 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1n[nH]c2ccc(I)cc12 745474570 CCYIDOSYYSKHAU-INIZCTEOSA-N 440.241 2.379 30 10 IEEE C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 745812956 GAZSPKUQJVAJPD-FZFLATATSA-N 431.924 2.255 30 10 IEEE C#CCN(CC#C)C(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 752149855 ASMNVPDOEMYCIG-UHFFFAOYSA-N 427.438 2.113 30 10 IEEE C#CCN(C)CCNC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757301199 SWNAJLZRQQKANR-JOCHJYFZSA-N 449.507 2.050 30 10 IEEE CN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1COC[C@H]1C(=O)O 757486759 QXHIQJFNPXMCGV-FGZHOGPDSA-N 448.475 2.087 30 10 IEEE C[C@H]1C(=NNc2ncnc3c2c(Br)nn3C)CC(=O)N1C(=O)OC(C)(C)C 766445929 AZMAXKUQHMNRMO-QMMMGPOBSA-N 438.286 2.450 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCCOc2ccccc2C#N)C1=O 771440171 ORIHMARDTPGOMO-QHCPKHFHSA-N 437.452 2.265 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 776265237 PGGIZGHRSRYFPS-LSDHHAIUSA-N 429.464 2.116 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780858470 IZPVIPIWGUNQJK-RDGATRHJSA-N 448.523 2.481 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)n1 788366055 KWSYUANCPXOHNR-DEOSSOPVSA-N 435.528 2.096 30 10 IEEE COC(=O)[C@H](NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(C#N)cc1 788403216 IENKOAJRJGNRQH-IFMALSPDSA-N 439.487 2.219 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCCC2)nc1 789968658 ZHLDPMASHKVUSY-HNNXBMFYSA-N 426.550 2.158 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)nn2C)c1 790002841 JQCZDFYKLMSGIJ-LJQANCHMSA-N 442.589 2.237 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)n(-c2ccccc2)c1C 790686322 SVGKBCZFZRCBJX-XMMPIXPASA-N 448.479 2.060 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(F)c1 790837144 ZRGFOOZNOUVPAL-QGZVFWFLSA-N 430.505 2.019 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)ccc1Cl 796151620 QFBWJNRVSWKHRM-HUUCEWRRSA-N 427.910 2.270 30 10 IEEE N#Cc1ccc(OC(=O)Cn2c(O)nc3ccccc3c2=O)c(I)c1 798584535 CMAAKTVODBZMPJ-UHFFFAOYSA-N 447.188 2.184 30 10 IEEE C#C[C@@H](NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)c1ccc(F)cc1 812934877 RCFMBBWABGCCJO-LJQANCHMSA-N 432.496 2.317 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F)C1CC1 814705253 YGHCYFNZKAIDQK-ROUUACIJSA-N 436.553 2.250 30 10 IEEE C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)N(C)CC(=O)NC1CC1 919514902 XQKGMYQKQPIANM-CQSZACIVSA-N 425.441 2.013 30 10 IEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](/C=C\c3ccco3)N2N1 1082989755 SWQOFVCTLSJAKO-QKIRZYONSA-N 443.326 2.445 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc4c3OCC4)CC2)cc1 1134034057 DVBTZAGPGKFJTD-UHFFFAOYSA-N 425.510 2.210 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)N[C@H](CC)CO)cc2)c1 1137440324 SWEAHBDJMFVUCJ-LJQANCHMSA-N 442.537 2.166 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1CCc2ccc(C#N)cc21 1138025971 ZPPWEMWUHLDBNS-YQVWRLOYSA-N 445.541 2.118 30 10 IEEE N#C[C@H](NC(=O)COc1nsnc1N1CCOCC1)c1c(Cl)cccc1Cl 1144004243 VKPZVGODRHQZQO-LBPRGKRZSA-N 428.301 2.441 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OCC 1153516362 ICFSJRFMHPEHOY-QGZVFWFLSA-N 445.520 2.424 30 10 IEEE CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807399 NWEPNLAGJSMPQS-YIZRAAEISA-N 446.360 2.190 30 10 IEEE O=C(CCCCN1C(=O)c2ccccc2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272122 BKVBUPQLPZGINR-UHFFFAOYSA-N 449.463 2.357 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCc2ccn(C)n2)c1 1286311530 NICWAWNPSMZPAZ-IBGZPJMESA-N 447.543 2.205 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286322405 AWGZGGCZVIODIU-MSOLQXFVSA-N 428.581 2.411 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286323549 IIKDXPIKTRXPLN-OAQYLSRUSA-N 431.544 2.227 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1occc1C 1286364119 ZLIFFUQMDUVSIF-JOCHJYFZSA-N 429.521 2.110 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286385119 UHJFHJAYLLDUEJ-ICSRJNTNSA-N 444.557 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1F 1286420926 UVYHCGDTCGQQDI-CQSZACIVSA-N 437.928 2.192 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC[C@H]1C 1286548951 VNCRPJNOSLDLCJ-RZFLPCETSA-N 425.599 2.494 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1286692283 CRCXLSCEWUWISE-OAHLLOKOSA-N 449.577 2.434 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1286788113 QHZJQHROUOQVGI-RXVVDRJESA-N 443.523 2.173 30 10 IEEE C=CCNC(=O)Cn1c(N(C)CC(F)(F)F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793543 YORCZANKVULXDX-BETUJISGSA-N 446.474 2.350 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@H]2COCCO2)C1 1286807413 NSIUOPLVFLZOKS-UXHICEINSA-N 428.533 2.464 30 10 IEEE CC(C)(C)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1286997236 JQQQDOTUTUKZBU-PXBNPBHZSA-N 442.564 2.497 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2cc[nH]n2)cc1 1289799125 DQEDGWWLZLMGPH-UHFFFAOYSA-N 448.531 2.449 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC#Cc2ccccc2)cc1 1290475995 RSXZOTKYHILCAY-UNMCSNQZSA-N 426.538 2.102 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1295144058 GUKWDGPENZHPJV-JPYJTQIMSA-N 436.516 2.303 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl)C(=O)OC 1299179350 PTYVPGKSVAATKY-CQSZACIVSA-N 435.329 2.222 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@](C)(O)C2CC2)c1 1300334493 NIDIEGGBKIJZCJ-RUZDIDTESA-N 444.539 2.481 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)C2CC2)CC1 1300421985 VJZZHRIOGSDXOO-UHFFFAOYSA-N 440.573 2.178 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1300492564 NNGMGMODDHBIBT-LJQANCHMSA-N 442.589 2.072 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1300696240 WDMXUIDXRWSNQO-UHFFFAOYSA-N 449.506 2.188 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1301234767 QECGHZMIHUEANW-HSZRJFAPSA-N 440.548 2.254 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1301278186 HCOBVWRDZVJCQV-UHFFFAOYSA-N 433.563 2.026 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(Br)n2)CCO1 1303004108 MRGHMCNUOPTSOW-LSDHHAIUSA-N 433.310 2.454 30 10 IEEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)Oc1ccccc1 1303685939 FTUPLCPBJQCFKB-JKSUJKDBSA-N 432.550 2.096 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(C)(=O)=O 1303896356 AYMKKHIWAUFTOH-IFXJQAMLSA-N 439.488 2.434 30 10 IEEE C#Cc1ccc(S(=O)(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)cc1 1309873754 KLGKXJIHUAWWAH-KRWDZBQOSA-N 448.541 2.279 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)cc1 1312736354 NFUXSXQGJKUOQT-UHFFFAOYSA-N 437.496 2.383 30 10 IEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)cn1 1315486093 BNCIRHXTDOFEEK-KRWDZBQOSA-N 431.500 2.360 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CSCCS2)CCO1 1316539798 QIXXMUOPHATJMW-HZPDHXFCSA-N 432.531 2.431 30 10 IEEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1351451667 VHOGGMBLLDHENA-HGLKBHAMSA-N 437.861 2.439 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ncc(Br)cn2)cc1 1354361080 ZDPQDCYBXKEFAR-STZFKDTASA-N 438.307 2.304 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1358871631 IFOGNRJZPUDKSU-ZIAGYGMSSA-N 437.516 2.356 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1358932255 DYHFNIPNMRPBST-AEFFLSMTSA-N 444.605 2.415 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)Br 1358945986 CMNZEFSUFIEEOA-UHFFFAOYSA-N 447.309 2.295 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1358969744 VRTBQQYIQCPVGE-IAGOWNOFSA-N 430.505 2.065 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCn1cnc2ccccc21 1358997100 DYDGWNPDSHMGCF-UHFFFAOYSA-N 429.528 2.303 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1cc[nH]n1 1359016214 UFEOLOYMUKCRGN-UHFFFAOYSA-N 432.463 2.205 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2scnc2C)CC1 1359043932 OGGZBTIBYFYVAV-UHFFFAOYSA-N 435.557 2.314 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1359339320 AKVTVAZISZWPOF-GOSISDBHSA-N 445.589 2.402 30 10 IEEE CC(C)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1359596474 LBQGEFYYRZUVAR-CVEARBPZSA-N 434.541 2.204 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1360149131 ASVJKOLSRVFCGN-UHFFFAOYSA-N 437.592 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCn1cccnc1=O 1449063130 RADLVDQFBKLVPQ-IBGZPJMESA-N 437.500 2.156 30 10 IEEE Cc1sc(NC(=O)CN2CCn3ncc(I)c3C2)c(C#N)c1C 1460824264 OXODRZAZLBWFHH-UHFFFAOYSA-N 441.298 2.492 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#C[C@@H]2CCCCO2)cc1 1472319619 QAXZLBMMRBDIGH-FPOVZHCZSA-N 432.542 2.121 30 10 IEEE C#Cc1cccc(N(C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 1475947420 QNJKAXCSSVFEGW-UHFFFAOYSA-N 429.498 2.366 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H](OC)C(F)(F)F)CCOC1 1502682336 ZBBXYSBMQVAUFH-KBRIMQKVSA-N 435.422 2.340 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cc(C)cn1 1504884945 GGAADUPYFXFNRD-UHFFFAOYSA-N 437.504 2.288 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1505026547 AMCSICJATBQXNC-SFHVURJKSA-N 439.545 2.461 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCC(F)F)CCO1 1505322397 NCRIZGFVMXFDRV-PBHICJAKSA-N 435.431 2.191 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC2CCOCC2)CCO1 1505324578 NRFKTNPYSIOWTN-HXUWFJFHSA-N 445.495 2.311 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507577533 RYWVKVTVWDADOX-QFIPXVFZSA-N 425.489 2.407 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(=O)NCC)CCC1 1507673444 VHFGYXBSTUVXTG-UHFFFAOYSA-N 444.539 2.498 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCN(C)C1 1507702343 UJZMWNXKIXRKGX-NFBKMPQASA-N 427.524 2.365 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1507712990 VNNXMUNVUAKUAB-SJLPKXTDSA-N 449.515 2.169 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(OC)c(Cl)c2)CC1 1507718810 HWIRTLGAUVTTQW-QGZVFWFLSA-N 447.967 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCn2cc(Br)cn2)CC1 1507733745 KRSLKHJDFRUOHL-UHFFFAOYSA-N 448.369 2.027 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCCC2)CC1 1507735974 BYWQGHALNUFBPE-UHFFFAOYSA-N 437.544 2.225 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507779177 LCMMVQOCHYBMND-UHFFFAOYSA-N 440.367 2.314 30 10 IEEE C=C(C)COCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1507849085 UXHQWDPLOYVIKM-ICSRJNTNSA-N 432.613 2.157 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507968102 QBQNQHVEQYECDZ-JKSUJKDBSA-N 445.486 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1507974572 YIZOJUITJGTPKG-QGZVFWFLSA-N 431.345 2.424 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1508010220 NSVGXAQFSMMGDN-GOSISDBHSA-N 431.924 2.455 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1508088617 CKACGFRAJOQXGM-WOJBJXKFSA-N 425.533 2.225 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@@]1(OCC)CCOC1 1508099192 VYQQTFLRPRHLJW-JOCHJYFZSA-N 447.486 2.073 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCO[C@H](C)C2)cc1 1508100853 POIPEMFUVUKBNV-MJGOQNOKSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1508122934 LCSRCAWOHFTOJL-ZACQAIPSSA-N 448.568 2.171 30 10 IEEE CC(C)OC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1509833814 BFZNGNQAYYIQAS-XUTLUUPISA-N 428.537 2.466 30 10 IEEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1509836381 XDLXQBPMRIVJIM-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1516607036 CHNYLESPDITJMY-GOSISDBHSA-N 427.509 2.122 30 10 IEEE CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1516999453 YPDADIXBDYRUKQ-IBGZPJMESA-N 432.532 2.098 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C(C)(C)C)no2)CC1=O 1517418475 PEEFRASRLATZCA-UHFFFAOYSA-N 449.515 2.341 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 1526039497 XKEAYBFYDAOVKB-HDICACEKSA-N 442.537 2.427 30 10 IEEE COc1cc2c(cc1OC)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCCC2 1536514970 GEJJOKBMJCFOCO-KRWDZBQOSA-N 443.525 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539025736 MBIYQSUTVRJNHB-UYAOXDASSA-N 448.575 2.266 30 10 IEEE Cc1oc(C#N)cc1C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1539198735 AKZBFXLIMIYZAC-OAHLLOKOSA-N 435.221 2.378 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1539362415 AXQFTNNRPMNPLM-UHFFFAOYSA-N 431.544 2.200 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1N(C)CCCC1(C)C 1539408820 DOGRVTVDNUTVIQ-IBGZPJMESA-N 442.564 2.212 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCC[C@H]2C)CC1 1539462819 ZXZROCAKSPDWQU-HXUWFJFHSA-N 438.576 2.105 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1539845940 GNXCCMYBQGGVRN-UHFFFAOYSA-N 444.530 2.468 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540867733 FOBBWSCAKWOQIR-MRXNPFEDSA-N 441.536 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 1540891428 UIVHYQZUIJNARQ-PMACEKPBSA-N 442.539 2.282 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCn2ccnc2C)cs1 1542925636 BWEOLBNGGBWISX-GOSISDBHSA-N 426.550 2.348 30 10 IEEE COC(=O)CCN(C[C@H]1CCCO1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1543789663 QDTCEBBSISKUAO-POTGORPSSA-N 449.548 2.344 30 10 IEEE C=CCOC[C@H](NC(=O)CSc1nc2ccccc2nc1N1CCCC1)C(=O)OC 1556375539 LWDNZYKLWLCPEO-KRWDZBQOSA-N 430.530 2.183 30 10 IEEE N#C[C@@]12CN(C(=O)NCC3(c4ccc(C(F)(F)F)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1564574941 YRMKRFHNWLWSPJ-YJBOKZPZSA-N 427.448 2.317 30 10 IEEE COc1cccc(Cn2c(NC(=O)CCn3cc(C#N)c(O)nc3=O)nc3ccccc32)c1 1584599143 XGUQSZPKDDABMM-UHFFFAOYSA-N 444.451 2.256 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1587870255 YFNQYQOVZQESJS-UHFFFAOYSA-N 430.512 2.345 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588064374 HEKCXCGEATZGDE-HXUWFJFHSA-N 444.605 2.211 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588284732 YVIFRTARVGWVOL-HNNXBMFYSA-N 445.321 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C)no2)CC1 1588899813 WWEYIZLWQDPTSQ-UHFFFAOYSA-N 449.471 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NC(C)C)CC1 1588913741 QBLMODNEJARLSL-UHFFFAOYSA-N 442.951 2.089 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@H]1OC 1595115162 FNPROMLUKLIFSL-HSALFYBXSA-N 425.533 2.473 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC2(C)C)CC1 1608166818 DYZADKAOVYPXRE-IBGZPJMESA-N 449.559 2.036 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1610313014 GFFKPMUKDRBSKA-IRXDYDNUSA-N 446.577 2.291 30 10 IEEE Cc1coc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1612353850 XWUJCCSXXRFMAS-UHFFFAOYSA-N 447.543 2.285 30 10 IEEE C[C@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCC(F)F)CCO2 1613032781 UYWTXNWUBRMDJT-VFNWGFHPSA-N 433.459 2.483 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(Cl)c(C)cc2Br)c1=O 1613380552 MNNXPOWFTISWTL-UHFFFAOYSA-N 426.698 2.316 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 1614222501 COOVKMCITOQAIS-YJBOKZPZSA-N 429.546 2.398 30 10 IEEE N#C[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1cccc(C(F)(F)F)c1 1616361696 YDLBLCXRBQQJFL-HNNXBMFYSA-N 430.383 2.285 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)[C@H](C)CC 1616922820 NXOJMDZORMCNDQ-VGOFRKELSA-N 427.553 2.205 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1617308578 ADRSCYYBQLIXLH-GFCCVEGCSA-N 443.371 2.219 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)s1 1617698954 YOLJWZDJHOHBAX-MRXNPFEDSA-N 433.555 2.373 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CC2)cc1 1618180398 HDGKZRKGDLCXJR-HSZRJFAPSA-N 448.523 2.240 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(C)(C)S(=O)(=O)CC3)C2)C1 1618760207 ZIFVBXHLOIHHSL-TZQQIIETSA-N 439.578 2.199 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1620355042 NPLQVXCUMDHTSJ-HZPDHXFCSA-N 428.459 2.133 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC3(c4ncccn4)CCOCC3)CC2=O)cc1Cl 1626589911 IOJQRGPBEYYUFW-HNNXBMFYSA-N 425.876 2.177 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)nnc1-c1ccco1 1629725622 CBJRGAAUDYICDM-HNNXBMFYSA-N 432.550 2.469 30 10 IEEE COc1cc(NCCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ncn1 1638689039 GVSXKKOFGHKAOV-BXFSZVDSSA-N 444.536 2.190 30 10 IEEE COC(=O)c1cnc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 1642603174 RRQWKNCAKBAWQH-GOSISDBHSA-N 430.306 2.408 30 10 IEEE CC1(C)CN(C(=O)CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCO1 1645177926 HIIXDDWUIWNRNK-SFHVURJKSA-N 435.366 2.269 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 1648119551 OFKCZUHFDFAVHE-WMZHIEFXSA-N 428.533 2.405 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C[C@H](O)c1cccc(C#N)c1)C2 1655584323 NPBOWPMGCLHBFT-GKAYAJSDSA-N 429.517 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 1671185568 XVTCJDMBLKBANV-AYBZRNKSSA-N 433.505 2.097 30 10 IEEE C=CCCOCCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1681189772 NQUSQWAVJQLLJL-INIZCTEOSA-N 425.526 2.211 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 1683181065 GHXJVQHRJVNZER-UHFFFAOYSA-N 435.488 2.362 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1689886866 JHOQOYSBBDELGW-INIZCTEOSA-N 435.532 2.179 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2OCC[C@H]2C)CC1 1690150363 DUDHEYHCRXPAPR-DENIHFKCSA-N 435.572 2.454 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCN(C)C(C)(C)C2)CC1 1690399228 RBWANIFPMDLKNT-LJQANCHMSA-N 434.629 2.431 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690576261 SZNZQHBOKJIPJC-HXUWFJFHSA-N 445.570 2.144 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOC2=O)cc1 1690620194 TZAYVCSZQMLOKI-UHFFFAOYSA-N 435.488 2.379 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)N(C)CC)C1 1690697180 PWAGLLWNLGQUNX-HXUWFJFHSA-N 435.532 2.390 30 10 IEEE Cc1nnc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693452600 AHMKSBQCMOPQDI-UTTYWZDOSA-N 449.559 2.214 30 10 IEEE CCOC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695999252 LULJKTGJNVQSPN-GOSISDBHSA-N 442.568 2.185 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC[C@@H]1C 1696328379 DHSDKOKOYYHVRE-WMZOPIPTSA-N 426.569 2.491 30 10 IEEE CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696479406 AEYAKPAVPMYLTG-UHFFFAOYSA-N 446.552 2.318 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCC[C@@H]1CO 1696710397 SVIFYIKYUBZMLK-JOCHJYFZSA-N 448.575 2.424 30 10 IEEE CO[C@H](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1697134767 WYFBCTUDARRUJP-CZUORRHYSA-N 439.394 2.370 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1698062805 HZYNHKKNNXOHSX-GBESFXJTSA-N 434.585 2.384 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1698217969 GLXFGVAWJPBGCD-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)N(C)C 1705486190 YUNQCJRXNCNRHA-INIZCTEOSA-N 449.577 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCCCC1 1705578330 OOAJSKOLYTYHMD-UHFFFAOYSA-N 435.528 2.438 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN(CC)CCC(F)(F)F)CC1 1705641293 ZCCUFOCZCHGKOI-UHFFFAOYSA-N 449.525 2.293 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)CC1 1705772114 IKDHQUFMFGIFSY-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1705868790 BIGNYIYUZKMASE-VAMGGRTRSA-N 443.596 2.042 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)no1 1705881764 ABFUYNSJQQMPCE-UHFFFAOYSA-N 431.518 2.332 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1705929247 MJAPXIQXSYZQGY-PCCBWWKXSA-N 428.533 2.487 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1707744322 RXDRKELDMITQDX-LBPRGKRZSA-N 434.547 2.016 30 10 IEEE CN(C)CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1711013942 HHEWTLVGSQETDZ-LEWJYISDSA-N 440.548 2.237 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(C)CN(C)C1=O 1712459880 XPTXPWPCQCGSEM-HSZRJFAPSA-N 435.532 2.126 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1722368530 SPPRFTQBNDUBKY-ZWKOTPCHSA-N 445.564 2.133 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1722372463 WZNQTWPPNZBSHX-YOEHRIQHSA-N 449.602 2.070 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1722401760 AUCNMECWSSVKJH-LBPRGKRZSA-N 445.467 2.137 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCc1ccccc1 1722412219 GJUAGEJGMMDZRV-UHFFFAOYSA-N 441.539 2.335 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1722475326 SVPZRZURARIZNZ-XMSQKQJNSA-N 443.573 2.404 30 10 IEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722609827 HEIRFLZANBCUQM-CQSZACIVSA-N 434.342 2.226 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1 1722703012 USUTYXHVLAYPJC-GOSISDBHSA-N 438.532 2.320 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1722704834 XOOCTUJAQZJKEG-CVDCTZTESA-N 425.533 2.226 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(CC(C)C)C2)C1 1722713875 JYJRYVBDQWJCFC-AQNXPRMDSA-N 430.597 2.379 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CC2)C1 1722721534 UHKVHZJPOWPPKD-LJQANCHMSA-N 430.574 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](C)(CC)C2)nnc1[C@]1(OCC)CCOC1 1722731495 MHWCWDDANQIBQI-UXHICEINSA-N 426.583 2.157 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCCCC2)CCOC1 1722864237 PVXXMQVLVLJSJO-AVRDEDQJSA-N 432.569 2.317 30 10 IEEE CCOCc1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1729005292 XWQAFCIXEWJHCA-DVSFIDLUSA-N 428.537 2.500 30 10 IEEE CNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1729655339 QMZFUSXXPGJLQE-UHFFFAOYSA-N 445.527 2.419 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1729692328 OVXOSQSYIRSRLP-UHFFFAOYSA-N 433.560 2.431 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1731114505 MYIUFOGPYWHKOH-LJQANCHMSA-N 428.562 2.301 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1740619994 BIUHHGOCGMATKG-IAGOWNOFSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1740620516 PUPXHNBAEOAUED-SFHVURJKSA-N 444.948 2.007 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1740624430 IOPVMLPCAOLTHL-SFHVURJKSA-N 448.614 2.374 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc2c1OCCCO2 1740631422 BANXAUIEDCTEBV-XMMPIXPASA-N 436.512 2.213 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)CCOC 1740644641 NUIGGGVPMJZDII-XMMPIXPASA-N 437.544 2.398 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(C)(=O)=O)CC1 1740692309 URXXVIRFAGPQTI-UHFFFAOYSA-N 442.372 2.052 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740720787 NIHQLJXIQQBVPC-UHFFFAOYSA-N 438.601 2.469 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1740730158 TYDQVQRLNOQACJ-XMMPIXPASA-N 447.543 2.192 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1740736244 HCUSYRUTJJYZRW-UHFFFAOYSA-N 441.374 2.020 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740804618 BWBFPBRBGKEWFU-IAGOWNOFSA-N 449.964 2.349 30 10 IEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740944985 WCJZKAXFJZNNHR-UHFFFAOYSA-N 447.381 2.460 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](c2ccccc2OC)C1 1740958809 VJTCSKMSOJGAOQ-ROUUACIJSA-N 425.533 2.477 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)NC)c2)C1 1740982706 YZMPCQZWZZNKNS-NRFANRHFSA-N 432.528 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(F)cc1F 1740990141 JTYFVSNHBBQMKO-UHFFFAOYSA-N 434.472 2.251 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@]2(CCSC2)C1 1740990982 LHNYQMQQOZXKFG-VQIMIIECSA-N 426.608 2.454 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1741000223 NJINWZJLHDSLLA-KRWDZBQOSA-N 431.610 2.287 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1741293246 CLXXNQMERJAURR-LJQANCHMSA-N 446.559 2.391 30 10 IEEE Cc1csc(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)n1 1742526102 CLJROGHQDQLWTJ-INIZCTEOSA-N 429.550 2.031 30 10 IEEE CC[C@@H](C)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCN/C(O)=C1/N=CC=CC1=O 1743554285 CRALCPQUPIPBFJ-DIGCTUSJSA-N 440.552 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CCC1 1748868568 ZQTMCUAVEHPEAY-SMSORMJASA-N 432.590 2.083 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCCC1=O 1748962796 QTUHQACSYFSACF-OAQYLSRUSA-N 437.544 2.039 30 10 IEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)C#C 1749037941 KTIBDPDSXTULQS-SJORKVTESA-N 433.578 2.411 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1749056324 DTPNQMILDMMSNV-GOSISDBHSA-N 429.326 2.330 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749420869 GSIPTQPAKDVKTK-RXVVDRJESA-N 440.596 2.024 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1749493399 DKEVZFHRQQACEQ-MGPUTAFESA-N 439.582 2.077 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749664530 QRAPQFURIMFDDW-XJKSGUPXSA-N 439.438 2.412 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCOC)C1 1749697174 IEJOARZFIWJYGQ-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749732113 PWLOCOBTPVEVFC-UHFFFAOYSA-N 433.553 2.218 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1750080806 BCPDDHGDTZIRJC-FPOVZHCZSA-N 441.532 2.112 30 10 IEEE CC(C)(C)[C@]1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750122130 VIZRILCFLKKNFX-VIKCJLSCSA-N 442.564 2.398 30 10 IEEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1751805056 KYGRFDGQZQQQQU-QGZVFWFLSA-N 432.532 2.469 30 10 IEEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1752250531 QOSNKSJBGIYJRZ-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C\CC)c1 1760128277 DGNDZVBSRPBAEU-HPFMTEOYSA-N 441.557 2.203 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760158483 MKFMFXOPJQHHIB-KRWDZBQOSA-N 430.505 2.036 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)CC1 1760260670 BITXYJJBAXSKLF-UHFFFAOYSA-N 439.514 2.416 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)COC)CC1 1760269892 FZBAEYAKAPJUDN-QGZVFWFLSA-N 427.524 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(O)(CCC)CCC)CC1 1760270491 YFXVBKKQTWMLIC-LJQANCHMSA-N 431.581 2.079 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760280779 MLEVXOKFDSXWMH-UHFFFAOYSA-N 439.589 2.123 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCNC(=O)C(C)C 1760324748 MELOMZQKOBDXRT-WIYYLYMNSA-N 426.565 2.454 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760334164 SULOHYBKIISXFT-LJQANCHMSA-N 426.569 2.080 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1760352420 QUQUPYWEAPKQNC-INIZCTEOSA-N 449.577 2.052 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760359348 GPEWGCPHFWPHAN-SFHVURJKSA-N 431.541 2.009 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccs2)CC1 1760396349 BAUKOFTXBRMYQV-IFXJQAMLSA-N 439.607 2.260 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760440722 OYWRYNHZXCYAPS-HUUCEWRRSA-N 435.516 2.219 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1760505187 NQGFKKDCKIMBRZ-DYESRHJHSA-N 440.610 2.150 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCOC[C@H]1C 1760553315 RFMWDTHVZQWADR-MRXNPFEDSA-N 427.530 2.319 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1760640416 OBRNWTGBJMBHKG-FQEVSTJZSA-N 437.548 2.084 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCCC1=O 1760690878 GWZQAQMSJCCVQS-QGZVFWFLSA-N 432.532 2.445 30 10 IEEE CC(C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1760820379 MZHYPKVWKBSJPS-UHFFFAOYSA-N 435.507 2.372 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1761284496 RHRPWVRVSZOEKA-VXKWHMMOSA-N 448.543 2.163 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOC2=O)cc1 1761363024 BFLMCRPIDYKYBI-MRXNPFEDSA-N 437.504 2.144 30 10 IEEE Cc1c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1761629242 IENJFCQZYWPTJR-WBVHZDCISA-N 425.468 2.376 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1763088772 YHRLDYGDKKUZKJ-UTSGNWPNSA-N 438.576 2.381 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@@]2(CCOC2)O1 1763090372 VVOCESZBWSYMOK-YCRPNKLZSA-N 433.459 2.483 30 10 IEEE CCN(C)C(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1766375431 BCWKOMKHKDZYOU-UHFFFAOYSA-N 427.940 2.485 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1767943401 DNPDOFBPVIKONB-HKBQPEDESA-N 444.561 2.252 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1770103814 BEOGAPDLSWNROK-SIKLNZKXSA-N 443.573 2.317 30 10 IEEE Cc1c(C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)cnc(N(C)C)c1Br 1852478332 ISRQOVUWVGSGLH-ZDUSSCGKSA-N 432.278 2.462 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCC[C@H]3C(=O)N3CCN(c4ccccc4)CC3)cnc21 1852827687 KHFZFAGWPIWRJC-QFIPXVFZSA-N 442.523 2.398 30 10 IEEE Cc1ccc(C)c(N(C(=O)CN2CCCS2(=O)=O)c2nccc(N(C)C)c2C#N)c1 1853216480 GEEZEKPDLHRUEL-UHFFFAOYSA-N 427.530 2.336 30 10 IEEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C(F)(F)F)C2)ccn1 1853615152 RAEPZUOQPUSDSO-ZDUSSCGKSA-N 427.360 2.134 30 10 IEEE CC(C)(C)C(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858439847 DLVLUYYIGSIASE-UHFFFAOYSA-N 427.530 2.449 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC 1862575450 XCDQTDUCFNHQKC-GOSISDBHSA-N 428.397 2.183 30 10 IEEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873595122 PETRTUSHYRMGSG-UHFFFAOYSA-N 447.587 2.231 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(OC)c(OC)c1 1874501184 VBSMRCCCPIOGPO-LSHDLFTRSA-N 445.501 2.325 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 1963869557 OYOXSXWVTNHQTJ-LLVKDONJSA-N 434.278 2.110 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010549870 LVJHRDNQCNMPIU-XUVXKRRUSA-N 428.533 2.105 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2033804405 UAUMIEUJMITEFH-UHFFFAOYSA-N 432.370 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060620684 DLUGORKJWIVQKD-UUAJXVIYSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2060633699 QLHOUCHEDFBHGH-HLFMIMNKSA-N 436.358 2.157 30 10 IEEE C=C[C@H]1CN(S(=O)(=O)c2c(Br)cc(N)cc2Br)CCO1 2190206802 BQGWYUICZLWNAV-VIFPVBQESA-N 426.130 2.369 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194175788 RCWCDKWUVRLJMV-ZBEGNZNMSA-N 446.176 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@@H]12 2224079397 INZQTBBUGABRIY-GVDBMIGSSA-N 431.342 2.109 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)CONC(=O)OC(C)(C)C 2243677509 XDNNYCGYGNQFHT-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405555 UYTNKVGGGLPHJV-NEPJUHHUSA-N 440.375 2.137 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254801051 QJDZSQDBDKNHBH-UHFFFAOYSA-N 437.321 2.161 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2255672847 MGJDVOIDJGGLJR-YOEHRIQHSA-N 431.342 2.366 30 10 IEEE COCC[C@@H](CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255703747 XLEHCXALVLQSQW-AWEZNQCLSA-N 438.330 2.238 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)=C[C@H]1O 2256678271 MLZIPNYFSVKCAX-DLBZAZTESA-N 434.342 2.361 30 10 IEEE Cn1cc(C(=O)N(CCCC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2256925213 RRIALAMTTRRIIB-UHFFFAOYSA-N 427.310 2.227 30 10 IEEE C[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2267092257 MZEZCEWBKGXJEI-GOEBONIOSA-N 448.373 2.474 30 10 IEEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267176838 GCGJRTQJMLHPAA-LJQANCHMSA-N 438.381 2.456 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2267189528 BMMCFYFOYDGCIQ-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267266247 OACDVHHEAHQKCM-SJLPKXTDSA-N 446.353 2.255 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519500 HVXIGUCLFHAZJG-QUCCMNQESA-N 436.365 2.066 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(C)(NC(=O)OC(C)(C)C)C1 2267524288 NSTBPKNUQJZXCM-UHFFFAOYSA-N 448.373 2.203 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267593759 WHODZNCLNPLECZ-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2334263241 UONYQJQACBNWPC-XGUBFFRZSA-N 446.357 2.131 30 10 IEEE COc1nc(N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786565 NEZUAJFEGQMNBN-TZMCWYRMSA-N 443.275 2.283 30 10 IEEE C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC 33271367 GPSWOKWXVJKHPZ-MRXNPFEDSA-N 443.467 2.422 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 59831892 SGYFCEZWHKHUBT-QGMBQPNBSA-N 427.450 2.272 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)ccc1C(F)(F)F 410128063 FMLXNPULKSFSNU-CYBMUJFWSA-N 429.395 2.339 30 10 IEEE CCO[C@@H]1C[C@@](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)(C(=O)OC)C1(C)C 444562365 MIOZUTJIIQJWJI-VGOFRKELSA-N 427.505 2.013 30 10 IEEE CC[C@H]1CN(c2ccccc2)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 461328255 VXJQGLLLCSPWTG-MJGOQNOKSA-N 426.542 2.352 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS(=O)(=O)C(C)(C)C1 465068430 WSRDRPFICANZAL-UHFFFAOYSA-N 445.335 2.134 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 475311860 WGLHUJXTGGABNU-FFZOFVMBSA-N 428.500 2.310 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 480495472 BUMPNUQVBOCIEI-LIRRHRJNSA-N 433.917 2.479 30 10 IEEE CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 511977558 IDVVZKKRPJGKPW-QAPCUYQASA-N 430.505 2.297 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 513786632 KNLWRGKCENDVDD-UHFFFAOYSA-N 429.517 2.499 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)ccc21 544764641 HXHBWJLMXMKDBS-UHFFFAOYSA-N 426.498 2.430 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)ccc21 544773431 ZQFWKLXPQRLIIR-AWEZNQCLSA-N 426.498 2.163 30 10 IEEE Cn1cc2c(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 549718671 WVHIKAFCKSUCMZ-SFHVURJKSA-N 434.500 2.135 30 10 IEEE C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1(S(C)(=O)=O)CC1 553476888 WGZOPGKIXLDAFU-ZDUSSCGKSA-N 432.502 2.105 30 10 IEEE Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 574620131 NKMQFDBSIDJFSW-KKSFZXQISA-N 433.516 2.527 30 10 IEEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1 585682113 MTCULCAIPAIKKZ-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1C[C@H]1CCCO1 603798220 KTCBMTKLTSXZCD-LJQANCHMSA-N 445.544 2.047 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 725726660 UAXMBZVUSLCONF-UITAMQMPSA-N 428.489 2.431 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726586359 KLEMDTWIFNRFBQ-UHFFFAOYSA-N 445.523 2.483 30 10 IEEE CCOCCCNC(=O)[C@H](C#N)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727627081 CPHKVTOBRWKCSI-HXUWFJFHSA-N 428.533 2.202 30 10 IEEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730140211 DWIMGTDRQORAFS-MJGOQNOKSA-N 432.590 2.482 30 10 IEEE N#Cc1ccc(CN2C(=O)CN(CN3CCC(NC(=O)CC4CCCC4)CC3)C2=O)cc1 731351248 UTDIRFKROULWHU-UHFFFAOYSA-N 437.544 2.441 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 732156533 PLXFXKSCYZTELM-CZIZESTLSA-N 434.481 2.252 30 10 IEEE COc1ccc([C@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 732441089 FDTAVJCSHPQFTN-WHBPPDGWSA-N 437.294 2.344 30 10 IEEE C[C@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)N(C)CC(=O)NC1CC1 734593842 YHBVVQOPLMYTDI-INIZCTEOSA-N 435.480 2.420 30 10 IEEE CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)s1 743582591 GBPLMBHJKSHEIR-UHFFFAOYSA-N 429.502 2.254 30 10 IEEE C#CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 744398712 OGJJCEXCEDOYQU-GOSISDBHSA-N 428.558 2.231 30 10 IEEE COc1ccc(CNC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1C#N 746784966 JLWFHOXQSMCGAQ-OAQYLSRUSA-N 433.512 2.200 30 10 IEEE COc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1C#N 746856805 ASIMFNBHIAATKR-UHFFFAOYSA-N 438.509 2.044 30 10 IEEE C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 767689926 KPGXOSJYDQZLCG-AWEZNQCLSA-N 444.937 2.445 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cc1C 774256706 NRYXPEMTSYDFLB-SFHVURJKSA-N 434.606 2.464 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 779895094 HMEBZBYISLMCME-XMMPIXPASA-N 434.496 2.292 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)c2sc3nccn3c2C)c(=O)n(-c2ccccc2)n1C 780310206 VUHOKNYPVPUKGV-OAHLLOKOSA-N 434.481 2.463 30 10 IEEE N#CC1(NC(=O)COC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CCC1 784239682 JWQGFROACTWBOZ-QGZVFWFLSA-N 426.300 2.472 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N(CC)c3ccccc3C)cc2C1=O 785976166 YXGPEGPTWVFQIE-UHFFFAOYSA-N 427.482 2.278 30 10 IEEE CCOC(=O)CON=C(C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1cc[nH]n1 789976108 FPJQQMDIVORVIS-YQQQUEKLSA-N 439.516 2.005 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 792662050 QRNVLLNFSHETBK-VDFGQWLZSA-N 434.495 2.359 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(C(C)=O)c(C)cc3C)cc2C1=O 797181359 FKPLBYXTXJZHKB-UHFFFAOYSA-N 440.477 2.407 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(Cn2ccnn2)CC1 800773530 KFBKWVRCLCYIOG-UHFFFAOYSA-N 436.520 2.399 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 802694594 KIEJPQOJKXMESS-GOSISDBHSA-N 447.561 2.167 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)c1 803921940 JKQSDOLIGVXOSM-UHFFFAOYSA-N 441.484 2.318 30 10 IEEE Cn1ncc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\CCc2ccccn2)n1 807934794 ALQQEOPYPIQNQK-COPMAWBXSA-N 449.540 2.282 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812867640 NNSIUFRQOUBKDL-FQEVSTJZSA-N 431.489 2.020 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C(N)=O)CC2)cc1 914740070 DJXYZCIMBKDAST-UHFFFAOYSA-N 446.916 2.350 30 10 IEEE C#CCN1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 919963224 OSZDVNYMAOTSGH-UHFFFAOYSA-N 436.478 2.133 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nnc(Cc4csc(N5CCOCC5)n4)o3)cc2C1=O 1118356942 IRCRTLPEIJMRHQ-UHFFFAOYSA-N 437.481 2.403 30 10 IEEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1 1125102864 YCIRWNWFCASQCM-RBUKOAKNSA-N 431.452 2.181 30 10 IEEE CC(C)(C)OC(=O)C1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCCCC1 1130721280 ZJRSVWJXMKGCCN-UHFFFAOYSA-N 435.546 2.276 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(F)c(Br)cc1F 1132267229 JZRQXGBLTQHSAO-UHFFFAOYSA-N 444.257 2.082 30 10 IEEE CN(C)c1nccc2c1N(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCC2 1133475051 ASNPQDPFASWRNI-GOSISDBHSA-N 432.484 2.204 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C2)C1 1141630327 NWKUGUPKKRVJCR-LQZXRHCMSA-N 434.518 2.210 30 10 IEEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N[C@H](CC#N)C(F)(F)F)cnn2c1 1156053367 SDGJHJMSSPQSAS-CYBMUJFWSA-N 426.399 2.371 30 10 IEEE C=CC[C@]1(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1158504233 XPMQKTPEVSKXIT-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)c1 1171369027 AXDUSNQKAWCEPW-RBUKOAKNSA-N 441.434 2.483 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)CC2)c1 1182559850 DAVUONUXVAUANP-VQTJNVASSA-N 427.501 2.436 30 10 IEEE N#Cc1ccc(N2CC[C@H](N3CCN([C@H](C(N)=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 1192927911 DGVUZKZTHKZJSB-SFTDATJTSA-N 437.931 2.161 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCN(CC(F)(F)F)CC1 1195125386 YVFKBQIXFOXJTB-QGZVFWFLSA-N 443.539 2.415 30 10 IEEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1213519712 QECVOOXLCZVYEI-MRXNPFEDSA-N 425.528 2.368 30 10 IEEE C=CCC1(O)CCN(C(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 1221876894 ABMWQWIAWODYMM-UHFFFAOYSA-N 445.560 2.481 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc(OC)c1OC 1267477810 AEMOXWPKKTVJGH-KRWDZBQOSA-N 447.513 2.266 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1276788811 KEHLNXFQCRKRKI-QXATTWAWSA-N 447.557 2.359 30 10 IEEE C#CCCCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OCC)CCOC1 1286357410 JEQAFWYECBDVDT-WMZHIEFXSA-N 439.564 2.239 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1286420068 LEGNJUCANDEOMX-QGZVFWFLSA-N 438.557 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1286426374 SZOUPLMQUVBCJU-IQGLISFBSA-N 444.539 2.206 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1286436594 OMDNCZUCGDJDHZ-NRFANRHFSA-N 432.546 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](COC)OC)CC1 1286472817 LQYXJZIRMUCBES-LJQANCHMSA-N 434.544 2.218 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)o1 1286495888 HQTFNLOXNNTMMT-HZPDHXFCSA-N 437.591 2.498 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1286508387 LGRWBGPDXFDYBY-QHCPKHFHSA-N 442.585 2.434 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286537206 YPDLUFGUIVTBBN-QGZVFWFLSA-N 440.367 2.207 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286633399 HUGZIORYWYHFFN-FHWLQOOXSA-N 439.988 2.303 30 10 IEEE C=CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286703990 VZGYCLTUINFDRU-UHFFFAOYSA-N 436.607 2.473 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 1286767567 ATCIELQPTBHPHV-RXVVDRJESA-N 438.576 2.315 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C1CCCC1 1286782491 WOKLCEKBYFWYKS-UHFFFAOYSA-N 431.562 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cccc(C)c2)C1 1286814367 QUUMKBXKRFPWQX-IBGZPJMESA-N 445.589 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286815753 DNLHHTGINBFLKZ-KRWDZBQOSA-N 449.577 2.190 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286822003 FZADVPGGHZEYAL-JJTKIYQPSA-N 436.603 2.128 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1286825550 SLMFZNZODSCBKP-XMTFNYHQSA-N 440.610 2.411 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C1 1286923820 AKKBAKBHUNDLEO-KRWDZBQOSA-N 436.545 2.378 30 10 IEEE CC(C)COCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287843360 MXTAGQLYZSMXFI-FQEVSTJZSA-N 439.564 2.438 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1OCC(F)F 1288079060 HEGWKDILRJRZDZ-UHFFFAOYSA-N 433.463 2.243 30 10 IEEE C[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1300206829 RLGYXSWCQHCMEP-QHCPKHFHSA-N 440.569 2.286 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300495903 KQWJVRAJPPVSPC-VQTJNVASSA-N 428.558 2.074 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1300504452 NONMCFVLYXWART-OAHLLOKOSA-N 438.912 2.375 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCC1 1300511883 QGWMQDMQOWWISI-UHFFFAOYSA-N 425.558 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300541325 RNPWXTZRNYJKQL-SFTDATJTSA-N 445.571 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1300557779 XJLCYXLHVKQQAM-GOSISDBHSA-N 439.585 2.156 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300760851 IHJMADXKUXNJDE-GOSISDBHSA-N 434.610 2.470 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301252219 LYWVTPICIQAPGN-UHFFFAOYSA-N 425.599 2.389 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301595532 VMORUEMAZGSSGF-INIZCTEOSA-N 443.577 2.340 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1301819364 UYYUHIUUAHWZIG-SFTDATJTSA-N 438.532 2.117 30 10 IEEE CC(C)(C)[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1302022143 LUVVRMAXMOGYKE-OAQYLSRUSA-N 446.577 2.007 30 10 IEEE COC(=O)[C@H](Cc1cncs1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1303323059 XOKBRQMXDBWFLA-ZKEMRMIHSA-N 448.545 2.130 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CCCS1 1303848085 HKFSOGPMVYFRCA-JCGIZDLHSA-N 426.612 2.304 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1303939427 FDOYOGIPKCMPDD-LJQANCHMSA-N 449.602 2.000 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CC1=O 1314929766 APXXZNMCGYWLHI-SFHVURJKSA-N 426.546 2.293 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(c3ccc(C)cc3)=NO2)c1 1351602418 WWZXZTRHWSLHKI-HSZRJFAPSA-N 431.492 2.361 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2Cc3ccccc3OC2=O)c1 1354286734 VIPUMQCUHZZSFN-FCDQGJHFSA-N 442.497 2.453 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](C)C1 1358924818 JWXQOJJTZLLZQR-GOSISDBHSA-N 425.533 2.287 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccnc(OC2CCOCC2)c1 1358937165 KVBBXCNMXVAFPD-UHFFFAOYSA-N 440.548 2.267 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1358963046 AYRJEFMYPXEXIR-IBGZPJMESA-N 445.589 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cnnn1C 1358982531 ANYUKHCVKINAJR-UHFFFAOYSA-N 430.299 2.414 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Cl)cn1 1358992746 VUQKBGIYVJQGFI-UHFFFAOYSA-N 425.880 2.019 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1359010087 GGCKZVDQPKSWAT-LJQANCHMSA-N 438.557 2.068 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359057903 MESUBZFYPYGETL-LJQANCHMSA-N 446.665 2.366 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359067688 XWVRUEGCANKEKI-VGOFRKELSA-N 443.573 2.227 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359165350 MWIRNRXFJBDVPL-UTKZUKDTSA-N 434.562 2.454 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359192793 OOAZGSZJKPGBEY-BZSNNMDCSA-N 432.569 2.160 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(CC(C)C)c2C)C1 1359312192 PDJPXCJJMVLQTM-IBGZPJMESA-N 429.569 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NC2CCCCC2)C1 1359318398 DLYCKRFGFINGQH-GOSISDBHSA-N 425.537 2.355 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1359441321 HFCPSYRNIWDXRM-UHFFFAOYSA-N 432.475 2.451 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359456010 KPRWJEPUICPVTI-IBGZPJMESA-N 427.940 2.301 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@](C)(O)c2ccco2)CCOC1 1360338656 HZIRWWPMWVBJAU-QHAWAJNXSA-N 433.484 2.261 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)C2)s1 1439728521 WVJDAMIAEPHPBH-INIZCTEOSA-N 438.571 2.322 30 10 IEEE N#Cc1cc(NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)ccc1N1CCC(O)CC1 1446025203 POZBUBCBBBREJF-SJORKVTESA-N 427.423 2.442 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NOc3cccc(C#N)c3)c2)CC1 1454685396 VIJMCWXEIWZUSC-UHFFFAOYSA-N 448.932 2.262 30 10 IEEE N#CC1(C[C@@H](O)CN2CCC(c3n[nH]c(CNC(=O)OCc4ccccc4)n3)CC2)CC1 1460509912 DLEFUKANIFDWIH-LJQANCHMSA-N 438.532 2.465 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN1C1CCCC1 1470925458 AWFJQGSBLXNOAM-HKUYNNGSSA-N 432.590 2.273 30 10 IEEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1471659746 DWYHISXEANHWNL-ZDUSSCGKSA-N 434.543 2.113 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1oc(CC)nc1C 1503109649 SYFQLVLMESNQFQ-UHFFFAOYSA-N 436.520 2.315 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCC(OC)CC1 1504995403 QPSKBDNOUPKCJM-YLJXDBKYSA-N 446.596 2.384 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](OC)c1ccccc1 1505082360 QDYCRVDPOZUZGQ-YRPNKDGESA-N 427.505 2.119 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507622681 LADREJWWNNFNBY-MRXNPFEDSA-N 435.619 2.464 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507629870 XHRUKVSRMTZFHM-DOTOQJQBSA-N 449.964 2.047 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(NC(C)=O)nc1 1507645518 DJNSTBRHKFSUAN-UHFFFAOYSA-N 444.495 2.437 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](OC)[C@@H](C)CC)CC1 1507723692 QUASDUNBKMRUOW-FXAWDEMLSA-N 449.559 2.410 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)C(=O)C1 1507748157 LACXHCGPRGNHCR-UHFFFAOYSA-N 426.502 2.031 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 1507796621 PWFHQRIMMNPZBK-KKSFZXQISA-N 441.532 2.270 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836551 PBERBAVGAXKFKX-OWCLPIDISA-N 432.525 2.266 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507962313 QCKWJKCPFMHDAV-UHFFFAOYSA-N 437.552 2.005 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1507970047 JNERJPJXKUOVAQ-SFHVURJKSA-N 430.496 2.383 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1507987223 USPOVQRAUGLGFP-WOVMCDHWSA-N 430.557 2.432 30 10 IEEE C=CCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508066234 LFVKVTBNZGGHML-JOCHJYFZSA-N 444.536 2.200 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@@H](C)O1 1512496424 FMKPNQAHCHEFME-KHFRWJKUSA-N 429.546 2.253 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC(F)(F)CO1 1513019717 MNMRZGKSMIWOFZ-ZBFHGGJFSA-N 448.522 2.456 30 10 IEEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)cn1 1515156682 HFFIKTRXKBTRGR-UHFFFAOYSA-N 431.500 2.375 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nccs1 1516833427 KNEFZBUABRLBQR-UHFFFAOYSA-N 445.574 2.239 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1518759050 WZQCEUIWOKKDFS-ROUUACIJSA-N 435.525 2.205 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1527772066 VSBJAJKOAHLDFI-CVEARBPZSA-N 440.541 2.326 30 10 IEEE Cc1sc(=O)n(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1-c1ccccc1 1533849754 UBIBNXLMJRNCMA-OAHLLOKOSA-N 434.525 2.284 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1539013952 OTBCPMQIFOGWES-DOTOQJQBSA-N 431.491 2.334 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1539171751 OFUXMVLFGHFIJR-UHFFFAOYSA-N 449.559 2.439 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1539231082 OBZPBEQNTSXJPP-HXUWFJFHSA-N 442.585 2.246 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1539272887 GEAGHOAPAXRUQR-FQEVSTJZSA-N 446.555 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)OCCO2 1539334308 ZJSFUDXJYMXWSY-UHFFFAOYSA-N 430.512 2.422 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC 1539351271 RDQAMDPLRMGKFW-UHFFFAOYSA-N 440.367 2.025 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccccc2OC)CC1 1539392404 QVTSDVZJZGJCHE-UHFFFAOYSA-N 437.544 2.341 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)[C@@H](C)CCC)CC1 1539481654 CMFAQNQDRCDRLH-SFHVURJKSA-N 444.624 2.385 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539564012 TUFFLECKKHPWIM-SQJMNOBHSA-N 449.603 2.199 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539750514 QNDSZEFGIZTJSQ-QFIPXVFZSA-N 431.487 2.456 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540916980 KZNBDCNAVSBMRK-KRWDZBQOSA-N 428.562 2.059 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)cc1B1OC(C)(C)C(C)(C)O1 1545714267 UUHTYJOMBJJELL-UHFFFAOYSA-N 438.333 2.198 30 10 IEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1561204936 CKBIQGYWFHYCGW-UHFFFAOYSA-N 438.525 2.016 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1563911285 ZOWJIIQVQZVTLQ-HSZRJFAPSA-N 440.588 2.217 30 10 IEEE C#C[C@@H](NC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1564604010 WPNKXLIYSLVOKD-MHTWAQMVSA-N 446.592 2.425 30 10 IEEE C#CCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)C1CCN(C)CC1 1585115387 QBNUWJDYOXDDEO-UHFFFAOYSA-N 430.593 2.459 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cc(F)ccc2N2CCOCC2)c1 1586455985 JTPVYSFOEPELQI-UHFFFAOYSA-N 430.501 2.389 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1587766125 OYWVWRNEFOKCAH-QFBILLFUSA-N 430.530 2.217 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)c1cc[nH]n1 1588280208 ITWFWZMAPMFXNH-UHFFFAOYSA-N 429.431 2.159 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1589216086 JIVBSKZKFCRDMP-VGOFRKELSA-N 444.557 2.238 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1589664204 VJSQUDGJTBPZLH-GOSISDBHSA-N 441.561 2.416 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1593740983 HXYBFNOVJBUNJR-GOSISDBHSA-N 444.511 2.404 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1593763805 QWWFAJOYSBBEJU-UHFFFAOYSA-N 434.504 2.242 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CC3)n[nH]2)c1 1596618856 GRLRMZQDKPLGPH-XIEYBQDHSA-N 430.534 2.456 30 10 IEEE CN(C)CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)n1 1596925030 JUKMDDAOWBEBQZ-GFMRDNFCSA-N 446.577 2.290 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)cc1C 1612134676 VVXGTUHHJNQDTO-JOCHJYFZSA-N 430.528 2.494 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@@H]1[C@H]2CCC[C@H]21 1617780778 RYHDCAYTRKZWEG-IGOJGBNBSA-N 430.459 2.345 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1620044718 FQAAKHVRUQUXFV-RQZFFVEVSA-N 443.573 2.360 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1620353627 PLSGVIAMVIENRW-QURGRASLSA-N 449.490 2.274 30 10 IEEE C=CC(=O)N1CCC(C(=O)N2CCN(c3ncccc3C#N)CC2)(c2ccccc2)CC1 1624726933 BDIDLGPRVYMOGH-UHFFFAOYSA-N 429.524 2.348 30 10 IEEE CC(C)C[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1627011345 RQXGENQZHCWJTR-OAHLLOKOSA-N 437.562 2.235 30 10 IEEE CN1CCN(CC2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1627099496 BDHAUDPINMGWCX-UHFFFAOYSA-N 432.609 2.123 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1627790235 LXAZUJKXCFVIFI-ZWKOTPCHSA-N 437.456 2.401 30 10 IEEE CC(C)(C)N1CCc2nc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)sc2C1 1630463599 PQBSQFJVDORABO-UHFFFAOYSA-N 447.586 2.367 30 10 IEEE C=C[C@@H](COC)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1634650351 QJFFVCFUFQAQDC-YCRPNKLZSA-N 437.496 2.086 30 10 IEEE C#CCN(C(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1636636564 VTKURCYPDHZBHZ-QZTJIDSGSA-N 447.557 2.185 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3(C)C)CC2)c1C#N 1638688809 IPKLIAGTBCIOGT-IAGOWNOFSA-N 430.553 2.188 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1[C@H](O)c1ccccn1 1640073661 DPWHVUTYYNCKIK-BTYIYWSLSA-N 436.493 2.340 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1640491566 NZGDYKOWSSLNHY-DLBZAZTESA-N 434.541 2.375 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OCC)cc1 1641920912 BOTXVZDRSXBOEQ-IBGZPJMESA-N 429.517 2.481 30 10 IEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)nn1-c1cccc(C#N)c1 1643926853 NZZXDSTWCXFNRR-PKOBYXMFSA-N 425.489 2.153 30 10 IEEE CSCC[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1646250579 HGVWUSCJCLNXME-OFQRWUPVSA-N 446.598 2.384 30 10 IEEE C#CC[C@H]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)C1 1651091033 FZJJSMQHMBUPAS-KRWDZBQOSA-N 427.526 2.444 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cc1 1661556979 DOGMTMNWLVKQGU-GOSISDBHSA-N 449.573 2.242 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1673502715 HOONEMMQMBIQHP-HXUWFJFHSA-N 428.514 2.140 30 10 IEEE N#Cc1csc(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)n1 1684393173 IHXSDCRRRNMUDT-CQSZACIVSA-N 425.392 2.296 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1690020070 YAHGHJKTAKJCRB-HXUWFJFHSA-N 425.577 2.278 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(C)CN(C)C1=O 1690035583 DFTSDUNKDFIXIX-XMMPIXPASA-N 427.512 2.276 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690245083 COYONFBVJYAKGR-ZVDOUQERSA-N 431.581 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1690247058 ZIBIRYSWJGKENX-MANSERQUSA-N 438.594 2.024 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1690671949 DGASHWKOYXANCF-MRXNPFEDSA-N 434.338 2.483 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1690993176 GPIBFTWHFVIVHJ-OLZOCXBDSA-N 426.493 2.005 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)C1 1692843990 MRMSTUZUWPQFTC-FQEVSTJZSA-N 429.550 2.171 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 1693772956 GUKUFDJBDUCYGA-NUJGCVRESA-N 429.546 2.255 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1696621340 IBVHGATVIFLPGO-HXUWFJFHSA-N 443.508 2.014 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696718716 DHPXGFOQEDASAJ-UHHPSXQGSA-N 428.518 2.006 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CCN1CCOC[C@@H]1C 1697605720 BRCGQJOGXXAMKB-MSOLQXFVSA-N 428.537 2.182 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(C)C 1698164582 GHOXQJZFIFFFAD-SFHVURJKSA-N 444.584 2.288 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705515397 CPEHTFARMJUXGU-DLBZAZTESA-N 430.553 2.478 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1705559410 AGDIVRLCIFKUFA-NVXWUHKLSA-N 432.546 2.181 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705612064 XVMBIASGAPDRKG-SJORKVTESA-N 430.553 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705706187 QPTINMNKFJMWGM-QFUCXCTJSA-N 445.589 2.259 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705751035 XWSRAFFJYCKPSQ-UHFFFAOYSA-N 446.914 2.108 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1705947032 YEUWSVUHIKDPLT-SJORKVTESA-N 443.639 2.013 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1706610868 ARFHBHRATDULRL-NRFANRHFSA-N 429.569 2.195 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722290950 CJWLQNLTENNLGQ-MRXNPFEDSA-N 426.521 2.400 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722319291 KCXHNLMHNUHFQY-FQEVSTJZSA-N 442.589 2.072 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1722363936 DBZAKWTWICCMIB-MOPGFXCFSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1722381630 TVKVKBPQTNAGBC-FUHWJXTLSA-N 429.484 2.156 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CCCS2)CC1 1722431353 OGEHWFUBYHCFPQ-FGZHOGPDSA-N 433.622 2.360 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)CC1 1722616823 DAXHHEMWUSRDMO-UHFFFAOYSA-N 440.596 2.187 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1722647875 OBKUOEWZQNUVBV-UHFFFAOYSA-N 435.431 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC(N)=O 1722695580 IOGRRBFZGCUKLO-LLVKDONJSA-N 425.320 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1722731385 JNTQNFIWJYKLNE-CALCHBBNSA-N 429.546 2.422 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC(F)(F)C1 1723928513 HLHKFTKFPFMXSP-HIFRSBDPSA-N 430.525 2.454 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1724325250 MGBSPGXZTDBLHS-GRNWLOBZSA-N 440.504 2.234 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCC(=O)N(C)C 1740537285 SVSABUJXXZDIBU-OAHLLOKOSA-N 429.521 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740542612 AJVACFCKHWLZDG-NQIIRXRSSA-N 438.576 2.354 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1740579656 RTAPIUYFUJPVPX-UHFFFAOYSA-N 440.523 2.402 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740580778 IEZJQWHXOOFJDI-INIZCTEOSA-N 425.493 2.054 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(OCCO)c(OC)c1 1740652370 WQVCUVPJISHKQP-UHFFFAOYSA-N 433.512 2.175 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1740655161 ZTIAJIHPGDDHTF-UHFFFAOYSA-N 447.564 2.320 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2ccncc2)CC1 1740698533 IANHUGFHBKJGQU-UHFFFAOYSA-N 430.556 2.465 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCO[C@@H]1C 1740915237 YXZXYBHZXFHWIF-UZUQRXQVSA-N 431.500 2.339 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(Cl)cn2)C1 1740970185 GRBVYXKVOFRXBQ-KRWDZBQOSA-N 446.939 2.423 30 10 IEEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1747797177 DOFGMKVFGNLHTE-UHFFFAOYSA-N 437.529 2.192 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1748730391 LBQZIOWOBUAMBQ-NZQKXSOJSA-N 442.564 2.144 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1748803859 AKNJGNMEESOQAF-OAQYLSRUSA-N 429.590 2.103 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCSC1 1748835437 BWUMMAYNPBJFJR-QFIPXVFZSA-N 426.542 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCS1 1748841117 UHCHCMOGFPESSY-MRXNPFEDSA-N 428.587 2.207 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1748927428 OQFHURJBFQLVRQ-HNNXBMFYSA-N 434.342 2.128 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1748999802 GFXJRRNQEAXMKD-VQTJNVASSA-N 441.601 2.174 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1749032439 HOQXTXNMLREEDB-INIZCTEOSA-N 443.577 2.453 30 10 IEEE C=C(Br)Cn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749112900 RWLLHYIPUJJDQL-XUWXXGDYSA-N 429.359 2.434 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1749386233 YGDNQGZZFDKPGY-NRFANRHFSA-N 436.560 2.429 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1749679754 ALUNSQKRPQZVRG-MSOLQXFVSA-N 442.564 2.087 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cc1 1749686473 UYEPUBBIRODALJ-POAQFYNOSA-N 446.573 2.000 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(OC(C)C)CC1 1749736645 MXWXJABZXUKJEN-UHFFFAOYSA-N 433.578 2.259 30 10 IEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749761887 IOUIUWWBRAVWJW-INIZCTEOSA-N 446.602 2.322 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1750060077 DCPNJISLRJJQTN-RBSFLKMASA-N 438.529 2.091 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1750673327 HXJIZVDYTVRLAS-SFHVURJKSA-N 446.577 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1760099825 MDBRVATZNFVUQX-JTAQYXEDSA-N 433.597 2.133 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1760187604 XBSMBCOHFBSALD-ZDUSSCGKSA-N 443.392 2.340 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC=CO1 1760247786 PEHPHIYWQOIKBO-SFHVURJKSA-N 448.527 2.454 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)C1 1760315729 IIKSGCXVKKLHET-FTRWYGJKSA-N 429.496 2.475 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760464921 RWKTVBPSOMVXHJ-QGZVFWFLSA-N 446.577 2.381 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760477491 BTFQHYHOFALXMY-NRFANRHFSA-N 434.562 2.152 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)C1CCC(NC(C)=O)CC1 1760520039 AKTVIJZFUZSRLX-UHFFFAOYSA-N 440.548 2.139 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760556412 CQNJTDRJBVTIEE-MOPGFXCFSA-N 431.562 2.013 30 10 IEEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1761557689 CQPKLFDVRVZRHJ-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1764554966 NPQWAJYGJKKZHH-UXHICEINSA-N 449.559 2.060 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(OC)CCOC1 1766432531 GMVKSRDEZDJDEB-SIKLNZKXSA-N 427.505 2.070 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1767622043 HKARSHDVNPUSOZ-QHCPKHFHSA-N 438.532 2.474 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1768199781 CCEQYENOPDFZQA-UHFFFAOYSA-N 440.548 2.065 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1770138512 PGWRLVBZJWTVBP-UHFFFAOYSA-N 440.548 2.319 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1771442368 MMOGYKGJAZSVST-MEUCICPISA-N 439.545 2.198 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1772567024 GZKRKOFXQOJZND-UXHICEINSA-N 441.532 2.408 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1772887282 ITLBORHCJJPORC-BWTSREIZSA-N 428.562 2.381 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)CC1 1850899143 WHZNEBHCLOJJMB-FQEVSTJZSA-N 435.503 2.474 30 10 IEEE CS(=O)(=O)[C@H]1CCN(C(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)C1 1852148484 RPOQWDDWLJUIKH-PZJWPPBQSA-N 437.521 2.291 30 10 IEEE C#CC(C)(C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 1852510377 UQOKVVGCRGDAGH-HXUWFJFHSA-N 435.528 2.238 30 10 IEEE N#CC1(CNC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCOCC1 1853180577 VLKPZWZLMIRXCK-UHFFFAOYSA-N 445.873 2.312 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C3CC=CC3)C2)CC1 1855452879 RZVUEKLPTASDLW-LJQANCHMSA-N 427.526 2.300 30 10 IEEE COCCn1cc(C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCC3)C2=O)cn1 1855624393 AFYZXLUPJGWTPS-UHFFFAOYSA-N 427.530 2.260 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1856266750 LOSNWDGIQOMHCQ-CQSZACIVSA-N 431.901 2.415 30 10 IEEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CN(C)c3nc4ccccc4s3)C(=O)C2)C1 1856831443 AGNRQENSHZMLHX-KRWDZBQOSA-N 427.574 2.054 30 10 IEEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862177592 FPFJOTDSHPASCK-YLJYHZDGSA-N 439.512 2.018 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 1862745311 GABONUZRZZDNGM-LJQANCHMSA-N 440.408 2.327 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@@H]2CO)=C(N)Oc2c1c(CC)nn2C 1865224618 ICCSJCPOWHFLND-BEFAXECRSA-N 438.528 2.225 30 10 IEEE CCOC(=O)c1sc(NC(=O)CN2C(=O)COc3ccccc3C2=O)c(C#N)c1C 1866041484 QMRARGSEBVLIBO-UHFFFAOYSA-N 427.438 2.105 30 10 IEEE CC(C)N(CC(=O)N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867232937 HGBFKOIWHTXPHD-HNNXBMFYSA-N 446.504 2.240 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 1869930316 XLAGBWKGGNWMPY-FQEVSTJZSA-N 440.569 2.238 30 10 IEEE COc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)c1OC 1874345655 ZIGNOAWDVFRRFL-YDZHTSKRSA-N 441.513 2.376 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOC1 2010538313 DOEGLEQSJBUWLS-WMZHIEFXSA-N 428.533 2.249 30 10 IEEE CC=CCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(O)nc(=O)n2C 2053509050 MXSCJHPJNRHCDG-UHFFFAOYSA-N 433.266 2.326 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@H]4CCN(Cc5ccccc5)C[C@H]43)nc2)OC1(C)C 2116069804 VMJXRPWYDWJOJJ-RTWAWAEBSA-N 436.365 2.256 30 10 IEEE N#CC1(CS(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)CCOCC1 2207112905 CJSFAAFEAOZRHL-WBTXTPOCSA-N 433.530 2.074 30 10 IEEE CN(CCN(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243422571 HTYRSHKXEXQPRL-UHFFFAOYSA-N 425.360 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2247776669 BYGHTFTVGRSNTG-KBPBESRZSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247905052 FGJFUTJALNUWFF-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@](C)(CO)C1 2254801451 JYKABTGXGPWYKU-JOCHJYFZSA-N 433.358 2.189 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2255609851 LACFREUGKFWKOA-UHFFFAOYSA-N 442.390 2.332 30 10 IEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255665507 HCTWBYRDXMTEEV-UHFFFAOYSA-N 436.362 2.476 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C2(CCOCC2)C1 2255872016 QTXKKMHXTTWMBZ-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCOCC1 2258954070 ILRYKUANMDWZKR-UHFFFAOYSA-N 436.358 2.449 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267187819 DCQNSHWNGVYLEY-GASCZTMLSA-N 448.373 2.189 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267497193 KBPPFXDWHPTNJT-GOEBONIOSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)n1 2267502387 MUOSLIUHCRTBNC-XMMPIXPASA-N 438.381 2.361 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504324 QWJOGRBNLVUJCU-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267521573 QGEOKEGECVOYDB-BMFZPTHFSA-N 446.357 2.227 30 10 IEEE CO[C@](C)(CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267877231 RXIODBINTAKHHS-HSZRJFAPSA-N 441.337 2.128 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268790623 URQVXVOHXZIJQA-SFHVURJKSA-N 448.369 2.220 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCOCCN1C(=O)OC(C)(C)C 2269709241 YUIKAGFVQLNJBF-UHFFFAOYSA-N 447.341 2.314 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2271964277 ZFBLTQAYMCSIKL-CABCVRRESA-N 448.373 2.061 30 10 IEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273775839 RGDGBXLEBFXHAV-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE CS[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282319647 XCGRSPCDVKJCLP-QWRGUYRKSA-N 439.817 2.109 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2306363889 IJMBWGAZKCQRMO-LYHRCORUSA-N 428.533 2.407 30 10 IEEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315538305 HNXPCBSMOIGMFP-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Cl)ccc1O 2330718209 BEVUXCAWBWWRHT-UHFFFAOYSA-N 438.941 2.116 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCc1ccccc1Cl 20914517 NSIGCZXVEFUQDN-LSFURLLWSA-N 431.909 2.205 30 10 IEEE COCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1ccc(O)c(OC)c1 21334073 WLYNDWSUGKBCEV-DOQLONCLSA-N 442.497 2.165 30 10 IEEE COc1ccc(CN2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254415703 AKMAJOSUUWJUBO-MOPGFXCFSA-N 446.550 2.371 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410408897 BQJCYDMEGNHDKV-MRXNPFEDSA-N 427.404 2.425 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CC2)c1C#N 461185240 BIXFVFBUSKOTFC-KRWDZBQOSA-N 427.555 2.187 30 10 IEEE COc1cc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)ccc1C#N 462266203 DVJSIWRWEIQBRP-UHFFFAOYSA-N 429.458 2.204 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 464468492 PQQZJOJHFKBRIW-SAABIXHNSA-N 435.366 2.325 30 10 IEEE CC[C@@H](CO)N1CCN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 472252123 QKYOCJRBIHDIBD-IBGZPJMESA-N 427.549 2.335 30 10 IEEE CNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 473580958 CEKNTJASCNYPGU-LJQANCHMSA-N 432.933 2.271 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CCOCC2)C1=O 475586826 MODMQECXCTWCJX-MSOLQXFVSA-N 427.501 2.107 30 10 IEEE CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 486041448 FSPODXIDATUWKI-SFHVURJKSA-N 436.497 2.093 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cnc21 501480011 PPXHQHGSKJTPCP-UHFFFAOYSA-N 428.452 2.414 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCOc3ccc(F)cc3F)C2=O)cc1 504947847 FMGSRAZFZSHBHT-KRWDZBQOSA-N 428.395 2.237 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)CCCc2ccccc2)CC1 508913560 PMNWMMHDWNASCD-FQEVSTJZSA-N 425.533 2.224 30 10 IEEE CCOC(=O)c1cnn(C2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1C 510609411 QJSNEJMBHQOZOD-UHFFFAOYSA-N 430.530 2.351 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)cc1[N+](=O)[O-] 517353222 MRTNVPPJSSZKCK-UHFFFAOYSA-N 441.509 2.355 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 522509048 JCRWFCNXJOLPFU-CVEARBPZSA-N 431.464 2.473 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 522673481 YBZYJPXLVNAGRA-OAHLLOKOSA-N 430.476 2.239 30 10 IEEE CCN(CC)C(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537247110 ANJROFCNVUCSNR-LJQANCHMSA-N 431.606 2.037 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)n1 546929320 BXLJHSPSIDFOSU-UHFFFAOYSA-N 446.555 2.266 30 10 IEEE COc1cccc([C@H]2[C@@H](NCCS(=O)(=O)c3ccc(C#N)cn3)CCN2C2CC2)c1 554742400 PJXDPMBOBJYNBV-UNMCSNQZSA-N 426.542 2.303 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@]2(CCOC2)O1 619524347 ZWWBZYKPHMWPOG-QHCPKHFHSA-N 436.468 2.481 30 10 IEEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(F)(F)F)c1 730141047 MGNJWDIPXJJRSZ-HNNXBMFYSA-N 446.495 2.351 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 733889982 DTVNGUYVXBVFGT-BVGIJJTOSA-N 447.333 2.308 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)CC(=O)N2C)cc1 734966568 ISIHUDWDUVPJQT-LPHOPBHVSA-N 447.900 2.245 30 10 IEEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 740237225 NMCBIBALMIIZHH-OAHLLOKOSA-N 428.875 2.009 30 10 IEEE C[C@H](CC(=O)N1C[C@H](c2ccccc2)OC[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 742624501 VFWZSBXHMZIPBV-GPMSIDNRSA-N 427.526 2.492 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753290702 DYUXTPMFBNVVFJ-RBUKOAKNSA-N 441.532 2.358 30 10 IEEE COc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758749769 CAKPNKZDCCDXKQ-NVXWUHKLSA-N 447.511 2.425 30 10 IEEE CC(=O)N[C@@H](CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)c1c(F)cccc1F 760399810 DHEZYFIRLTYQPJ-INIZCTEOSA-N 427.473 2.452 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(F)(F)F)cc3)n(C)c2=O)cn1 772274255 DBNAFFWISUACBU-UHFFFAOYSA-N 430.411 2.149 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 776980916 WZOUFZXGSMIEHR-UHFFFAOYSA-N 426.494 2.260 30 10 IEEE COc1ccc(Cn2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cn2)cc1OC 778598800 CZLIEKZFLOWPIX-UHFFFAOYSA-N 440.481 2.080 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cc1F 784126121 NYNINDPRMVCVRM-QGZVFWFLSA-N 446.508 2.116 30 10 IEEE COc1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cnc1Br 788378229 BVXAMRDDBPXSCF-CYBMUJFWSA-N 433.218 2.400 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)n1 788670392 UEZJYWYXDOMXQT-UHFFFAOYSA-N 437.500 2.236 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCSCC3)cc2)n1 788874756 MVZZGUPHGGGKES-UHFFFAOYSA-N 427.574 2.428 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Oc3cccnc3C#N)cc2)C1 795282062 AISCMALLJCXMQA-GJZGRUSLSA-N 435.527 2.388 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nc1 796609184 XHKWQCBLVCXZHX-UHFFFAOYSA-N 430.486 2.489 30 10 IEEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 798361422 COFPHTRIOHSQKH-MOPGFXCFSA-N 425.558 2.215 30 10 IEEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 800772371 BCEYPKFVJFSMHL-UHFFFAOYSA-N 429.960 2.136 30 10 IEEE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 805584421 CZCXLMZNUMVHBX-RHSMWYFYSA-N 438.459 2.454 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 812270121 WUQZDFCMIZMORX-IKGGRYGDSA-N 434.541 2.361 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cccnc3C#N)CC2)cc1OC 813168463 PKMGHUXAJDPHRZ-UHFFFAOYSA-N 445.497 2.115 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 1132097875 AACIOGBVCPUBPL-QGZVFWFLSA-N 426.542 2.261 30 10 IEEE N#C[C@@]12CN(C(=O)CCSc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1134276451 XGHFGYFOSURIOB-LRDDRELGSA-N 429.361 2.328 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1134422423 HQHVVNPGGHCPRU-ARFHVFGLSA-N 440.541 2.324 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO 1137593197 OFEYBZZRWQOFTG-ACRUOGEOSA-N 429.561 2.292 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 1144267611 GELIXJDYTRODIH-MRXNPFEDSA-N 431.961 2.414 30 10 IEEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](CO)c1cccc(Cl)c1Cl 1146297348 FREYETJKXVVTSP-CQSZACIVSA-N 442.324 2.224 30 10 IEEE C[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1151825835 OHHRPKPFQXNIAH-KSSFIOAISA-N 433.530 2.038 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC(=O)N2C(C)(C)C)cn1 1158225609 XMBNECYMBPJSPL-KSSFIOAISA-N 426.546 2.208 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)c1 1176137808 PSRWNEZHXYDVNB-HNNXBMFYSA-N 434.422 2.479 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1286376263 IOSBFTYOYVEBEN-SFHVURJKSA-N 443.552 2.022 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1286382696 UMZLCFFEPPXKHQ-UHFFFAOYSA-N 448.527 2.215 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397087 RJVFZEKKTMIWIT-GPMSIDNRSA-N 430.530 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CC2)n1Cc1cc(F)ccc1N1CCOCC1 1286468550 AMOKKXALSXXIRS-UHFFFAOYSA-N 427.524 2.341 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCCS(C)(=O)=O 1286553772 GASGPXBNZVKOOQ-KURKYZTESA-N 426.583 2.372 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1286628241 CTQJUKJMYOZDQG-OAHLLOKOSA-N 438.960 2.424 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286638592 GNUQWSQTQSMHNC-HSZRJFAPSA-N 432.613 2.113 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1286660921 UWWMVUAJHQKMQT-UHFFFAOYSA-N 435.532 2.073 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1286689724 AHRNXPKQXGBAFY-NRFANRHFSA-N 438.576 2.336 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1286701212 WSCGEBMUXZPREG-IBGZPJMESA-N 440.573 2.345 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C 1286794059 VDZCDVDAJFYLLJ-UHFFFAOYSA-N 430.528 2.352 30 10 IEEE COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1nc(O)c(C#N)cc1C 1295114386 DEOFXWLZJFTSRS-INIZCTEOSA-N 425.441 2.287 30 10 IEEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1)S(C)(=O)=O 1298197550 ZBFDKWNIXARISC-FUHWJXTLSA-N 432.525 2.207 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCC1 1298207331 ZBIMTMSQMGMQOF-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298535476 FNPHADHCUXCJIB-ZBKJMMEJSA-N 436.516 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1300303829 KSFSLRRJOYIEQK-TYPHKJRUSA-N 436.560 2.069 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300361874 IYTIPFHMTZPLMJ-QUCCMNQESA-N 428.581 2.112 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300417196 PMEPONGPKKPRLZ-SFHVURJKSA-N 427.516 2.054 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300501498 LOWDOFFJTUSOIM-CJNGLKHVSA-N 439.632 2.012 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1300697734 ITGHDDWHGMWSTI-UHFFFAOYSA-N 425.533 2.375 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1300767480 ZZSFXANGYWKSJE-QFIPXVFZSA-N 437.573 2.116 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1OC 1300779260 SUQATPWKFADLEY-HSZRJFAPSA-N 447.499 2.378 30 10 IEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCOC1 1300858535 ORMZWAXNFJCCOI-GFCCVEGCSA-N 426.340 2.403 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300956003 GBSRIUKDMIAIPQ-UHFFFAOYSA-N 444.530 2.468 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1301500844 PUNDGGYAKCREGL-SFHVURJKSA-N 425.533 2.440 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC(F)(F)CO2)C1 1301543882 QIXGYFXCBFPXNB-GPMSIDNRSA-N 428.480 2.136 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301602369 OTSSDDZAXUMJKT-QZTJIDSGSA-N 427.530 2.096 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 1303556750 KYOVZGVSBVMHDA-INIZCTEOSA-N 427.364 2.217 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@H](C)c1ccc(Br)cc1)c1cc[nH]n1 1304193364 HHZQQZFHPKIOPF-LBPRGKRZSA-N 437.294 2.376 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)CC1CC1 1314414806 PUDPHHQJMZZFQT-UXHICEINSA-N 443.573 2.383 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1314764019 PJTDBAVLDIYYPF-UHFFFAOYSA-N 439.545 2.458 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)cc1 1355745371 LLSSJSDSNAVLFD-AXVPLRHPSA-N 432.546 2.134 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccn(C)n2)c1 1358902073 DTPQADHXYDMCJM-GOSISDBHSA-N 433.516 2.010 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358961302 WCLNWDQWQACQNR-GOSISDBHSA-N 444.605 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1358986184 PICCKVBUPAXGET-QDSKXPNFSA-N 442.560 2.121 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1359014420 IYTTYEZNKJCIOX-GBESFXJTSA-N 446.596 2.229 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)CC1 1359034338 MIFSQGTXXOXGDQ-UHFFFAOYSA-N 441.486 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccoc2)CC1 1359042149 UICVHBIZLHZGMY-UHFFFAOYSA-N 434.456 2.460 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1359107253 HNGRCLREYVNQCT-OAHLLOKOSA-N 444.602 2.158 30 10 IEEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359125715 QPWXBQXFTFSIRH-GOSISDBHSA-N 435.525 2.356 30 10 IEEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359200378 CLDCPGHOJHOPKB-UHFFFAOYSA-N 425.537 2.271 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccn(C)n1 1359232964 LWPLXAMWZDYNSS-UHFFFAOYSA-N 428.566 2.145 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](COC)C1 1359334377 CXKFOSKDWWKYFW-SFHVURJKSA-N 443.573 2.355 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1359476555 GXUAKLPZRVYHMK-MRXNPFEDSA-N 445.568 2.396 30 10 IEEE C#CCN(C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1435068250 FVTBFNUFFFYSLS-AWEZNQCLSA-N 429.395 2.293 30 10 IEEE CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1440044616 LCXXESOJFKGENN-UHFFFAOYSA-N 437.481 2.362 30 10 IEEE O=C(NCCS(=O)(=O)C(F)(F)F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1453240457 DOLHCGCOSXTHOB-UHFFFAOYSA-N 434.293 2.090 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)n(C)c2)C1 1454249928 XUACRIPWNXOGLH-MRXNPFEDSA-N 441.557 2.254 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(=O)c1C#N 1457778117 GISBFHZHYMIHGS-UHFFFAOYSA-N 435.190 2.120 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1460821140 UEDVSCMNXORWRP-CQSZACIVSA-N 441.347 2.098 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1463792846 GAPXQLLTFUFHTN-LJQANCHMSA-N 440.435 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1464925094 LVMFTRTVUBYVNL-UHHPSXQGSA-N 432.521 2.056 30 10 IEEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCc2c(sc(N)c2C#N)C1 1465739493 ADJYJTGRYHEZMH-UHFFFAOYSA-N 449.558 2.441 30 10 IEEE C#CCN(C(=O)[C@H](C)Sc1nnnn1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882139 JIINYWUBOGOUQJ-AWEZNQCLSA-N 434.566 2.350 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 1477750148 XNCXMLUPPXCIRA-UHFFFAOYSA-N 443.544 2.215 30 10 IEEE N#Cc1ncn(CCNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 1478603467 DHQDAKFARCKCKG-LEWJYISDSA-N 433.491 2.256 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1504425464 BMFLUTWYHVCVQK-BRWVUGGUSA-N 447.561 2.395 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1504601228 VHJLBPSRAYHZED-INIZCTEOSA-N 426.418 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1507522625 XBEYVKUHLIJUOZ-CQSZACIVSA-N 448.545 2.006 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507635347 RZYKYYTVLAKABI-LZNRXBQRSA-N 436.622 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCSC1 1507665240 LYAKOTIQGLCRRH-HSZRJFAPSA-N 432.553 2.462 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1507689260 IOEQFUWXMDRAOP-SFHVURJKSA-N 434.544 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(N(C)C)CCCC2)CC1 1507740528 UPGUAZGVVWCMMM-UHFFFAOYSA-N 449.603 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507806697 IXORKPFYDQFPAD-WTNASJBWSA-N 447.580 2.040 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(N(C)C(C)=O)CC1 1507808295 UQOSMKHQSOKICK-CUWPLCDZSA-N 449.596 2.430 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCOCC2)CC1 1508077192 LGEZUFNJGDDYSN-UHFFFAOYSA-N 438.576 2.111 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(=O)NCCC)C1 1508086056 KNTJQEAWZLDRJK-SFHVURJKSA-N 442.539 2.053 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)C1 1508128348 ZLLURRQRPXAADJ-QZTJIDSGSA-N 440.504 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCCCC2)C1 1508131380 LXWAUUMTGHUOJC-UHFFFAOYSA-N 435.594 2.276 30 10 IEEE CC(C)N(CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1509546818 IALJLOOSHDVTTG-FQEVSTJZSA-N 436.564 2.364 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1509949118 RXWDUDKJTGLRKU-OAGGEKHMSA-N 433.557 2.265 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1516381927 JDEPXYPTZVLQAG-ZEYQEJGOSA-N 442.564 2.397 30 10 IEEE COCC[C@@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1518967730 CTYARGGGYBJKLA-SIKLNZKXSA-N 427.505 2.318 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2nccn2C(F)F)cc1 1521089482 FNAOSDREHRIYII-OAHLLOKOSA-N 426.431 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)CC1 1532806627 NGZUUMGGPYAJKH-UHFFFAOYSA-N 445.495 2.128 30 10 IEEE Cc1c(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cnn1CCC#N 1534783918 UHXVDUSQRGYVDI-UHFFFAOYSA-N 448.506 2.291 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2cc(F)ccc12)[C@@H]1CCS(=O)(=O)C1 1539218574 APICLFGLZUZHFI-QGZVFWFLSA-N 429.521 2.330 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1539516984 GQZURBFSTCGMQK-UYAOXDASSA-N 428.558 2.433 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C)C1 1539517643 QJNBSBHAGJREEP-QGZVFWFLSA-N 427.578 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1539552580 WBMQVLYADOERLN-OAQYLSRUSA-N 426.546 2.358 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539874413 FPPWPVVKCZWXGL-WIYYLYMNSA-N 438.594 2.157 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1540873402 WTAZLJBKKZHQCH-OAQYLSRUSA-N 448.527 2.153 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(COC)CC1 1540898686 RAIOKRYDYNYSFZ-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1542667478 ZRLGBIICBZHNND-SIUCFOQUSA-N 449.515 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1545718674 OBROLDUHTQITGK-QHCPKHFHSA-N 444.532 2.220 30 10 IEEE CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1552716237 BYIIYGFQLULRMP-WOJBJXKFSA-N 438.532 2.100 30 10 IEEE C#CC1(O)CCN(C(=O)N[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1564179893 UHPUFFBNYZTIRQ-OAQYLSRUSA-N 442.537 2.358 30 10 IEEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1565655309 KJKYBHVOFXLFDZ-SFTDATJTSA-N 432.480 2.187 30 10 IEEE COC(=O)c1cccc2c1CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1570666959 RGLUGLXGJSZSGL-FQEVSTJZSA-N 446.463 2.135 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)CC2)o1 1570668060 GIGRGZSGKCWNRX-AWEZNQCLSA-N 427.427 2.131 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)nc1C 1585261516 NGLSCMSIFFELHC-RKDXNWHRSA-N 446.480 2.438 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1586809106 VRESLIUTQAXEAL-HDICACEKSA-N 435.521 2.002 30 10 IEEE COc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)c(F)cc1C#N 1587092168 INXLNFFHNPPATO-OAQYLSRUSA-N 426.404 2.120 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1588053563 FTMKOBWFJIEWMK-UONOGXRCSA-N 440.978 2.172 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(NC(C)=O)nc1 1588595669 XYHGQXQIIDQGNN-UHFFFAOYSA-N 434.500 2.441 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 1588765978 OYQIBAAFUJMKMC-HDICACEKSA-N 448.585 2.352 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@H]2C)CC1 1588876642 DIBJUKQISDLOGS-MKXGPGLRSA-N 428.581 2.460 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)COC 1589171752 RDUGEKYWPDVLRC-VGOFRKELSA-N 445.589 2.470 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCC(=O)NC1CCCCC1 1589233947 NJTVGHPJELAALV-HSZRJFAPSA-N 426.565 2.232 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)CC1 1594237756 VARXLBILXZEXMG-CQSZACIVSA-N 438.504 2.359 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCCOC2)C1 1595593569 GFLCVQYIMZMSEK-QFIPXVFZSA-N 429.496 2.305 30 10 IEEE C#CCN1CCC(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 1596609610 AXJLXPAJGHYMKZ-UHFFFAOYSA-N 429.517 2.383 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOCC(F)F)CCOC1 1610449289 YHOPKHGTFSYULP-RBUKOAKNSA-N 431.459 2.432 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1611498724 GWAMYZYQKZLTKX-HNNXBMFYSA-N 428.500 2.302 30 10 IEEE CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(c2ccsc2C#N)CC1 1622349445 BDZQLPLJCWHDMK-UHFFFAOYSA-N 435.527 2.316 30 10 IEEE CN1C[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)N(C(=O)OC(C)(C)C)CC1=O 1629227214 IISZGRBVVSAGPF-FQEVSTJZSA-N 434.496 2.498 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 1635672076 CABKEOKYMHTQBV-SJCJKPOMSA-N 441.431 2.094 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(N)c1 1636595659 BTCLDQOOKGOYFB-UHFFFAOYSA-N 428.514 2.449 30 10 IEEE C=CCCn1cc(C(=O)N2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)nn1 1641926868 HXKHPEKJAMPHET-OAQYLSRUSA-N 427.509 2.112 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2cncn2c1 1642330721 FPZNFYYRPOMMOG-GOSISDBHSA-N 425.514 2.248 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 1647811072 CXVHPPWNBRJACA-GOSISDBHSA-N 425.489 2.452 30 10 IEEE CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028899 QXUUGRBSZSJZPS-UHFFFAOYSA-N 439.472 2.184 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOc3cc(Br)ccc3C2)CC1 1655178718 UDVQHJINMSRSEH-GOSISDBHSA-N 435.366 2.336 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCc2ccc3c(c2)C(=O)NCC3)cc1Br 1663291557 FZIVCNGYHLJABH-UHFFFAOYSA-N 438.278 2.224 30 10 IEEE Cn1c(=O)sc2cc(S(=O)(=O)NC3CCN(c4ccccc4C#N)CC3)ccc21 1664822530 CEPFJBLFUDIQSM-UHFFFAOYSA-N 428.539 2.419 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@H]1CCCc2ccccc21 1682130970 JDWUTSMFKUJQKV-QHCPKHFHSA-N 444.535 2.481 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689882886 PFZNHOOAILZNMS-IBGZPJMESA-N 426.542 2.384 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1689924275 AWYIZTOHBWLMMT-UHFFFAOYSA-N 447.543 2.453 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1690298987 AITRDCDREDRUBW-UHFFFAOYSA-N 442.564 2.344 30 10 IEEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690430164 DZEPLXWXJKZQDV-GOSISDBHSA-N 437.610 2.389 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1CCOCC1 1690663222 PTIDSZYGGPSHOG-UHFFFAOYSA-N 440.592 2.313 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690696744 ICLKXLZAIRCIIC-WOJBJXKFSA-N 430.597 2.270 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1693217821 CPYSRKPNVOLGCX-UWJYYQICSA-N 447.536 2.432 30 10 IEEE CCCNC(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1695428807 PXJDBMIYDZWKNA-FGZHOGPDSA-N 432.569 2.365 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1698170872 NNJNOJOECNERLS-FYINFDKHSA-N 449.939 2.292 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1705476811 FNYJMXJCWIPRNE-OKZBNKHCSA-N 448.593 2.166 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1705477982 UXVSXHWENVMXCX-MNOVXSKESA-N 446.396 2.219 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705538670 WREPKLSBEAXDCK-QGZVFWFLSA-N 442.589 2.426 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705566634 PVYUOJVGVYCNBL-IRXDYDNUSA-N 428.562 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705589862 WSGQVOMDEJLTNV-OTWHNJEPSA-N 449.621 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H](C)N1CCN(CC)CC1 1705625187 ZMSAUWITAUBSDH-LJQANCHMSA-N 428.556 2.196 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(OCC)c2)CC1 1705634953 NHYGEKYRVCRMON-XMMPIXPASA-N 439.560 2.132 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705701091 CGFZSQGZVXCMIZ-QKLQHJQFSA-N 433.578 2.114 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705754690 DDJQZWGRYCTLMF-HUUCEWRRSA-N 440.957 2.083 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1705784146 JQFJLJRRRKGOAG-UHFFFAOYSA-N 443.573 2.255 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C)=C(Br)C1 1705936178 LCOYJSOVTMNGBH-CQSZACIVSA-N 445.383 2.262 30 10 IEEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1709088511 CDTQHSZPTGLBNY-CMBDLQSPSA-N 434.516 2.307 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1709992625 HLMWKHBIFNYKIE-KRWDZBQOSA-N 437.548 2.132 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CCOC1 1710423033 DQEUYHGMXLLSBL-PABYOWBDSA-N 448.612 2.414 30 10 IEEE CCOCc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1710631345 BDKWRSVKLXUBSP-IBGZPJMESA-N 447.499 2.239 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1CSC 1710893303 IWERTEPJPXFEMQ-SFHVURJKSA-N 448.618 2.478 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1711425025 FNEQNCVTFYVFLF-WMZOPIPTSA-N 446.577 2.293 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)COCCO1 1712452773 PBNXFLSYGKMKNB-FQEVSTJZSA-N 430.465 2.025 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(Cl)cccc1OC 1712647721 IDXAARXLZHIWEN-DOXZYTNZSA-N 447.923 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1722294248 QQCKICODLTXFRH-IQMFZBJNSA-N 432.484 2.151 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722363658 BCFMNZVKYLSHKY-UXHICEINSA-N 425.558 2.247 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1722370884 FQPHXXJVRWRHOP-OAHLLOKOSA-N 448.618 2.055 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1722503252 WIPDRMKKVJDTQI-HOTGVXAUSA-N 430.553 2.077 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1722536450 OEODTLCULOOEOW-UHFFFAOYSA-N 438.532 2.426 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722865923 LSPYKPUQPWCVSA-FGTMMUONSA-N 445.593 2.084 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cl 1730763073 BQORLGRESMNFEB-INIZCTEOSA-N 437.953 2.248 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1C[C@H]1C 1730868530 ISIRXERVSWDMMC-XDNAFOTISA-N 440.552 2.035 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740583500 ZLGKOWGGGNXVAC-LJQANCHMSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2sccc2C1 1740629235 GJXFXNUZIWMYMH-UHFFFAOYSA-N 445.552 2.118 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Br)cn1 1740668236 IBTPGJJDGNAHBX-UHFFFAOYSA-N 446.309 2.125 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1COCCO1 1740678206 FGFDJYLEJMSYDF-HXUWFJFHSA-N 441.532 2.039 30 10 IEEE C#CCSCCn1c(N2CC[C@H](N3CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740722305 GLXNGLRZULEENG-SIKLNZKXSA-N 433.622 2.361 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740793614 UUNVSCOLTJQDLG-VQTJNVASSA-N 441.532 2.106 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740795059 MYJHJTYOOQESIL-NRFANRHFSA-N 446.640 2.370 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)nc32)CC1 1740833945 ZNCZXDNKGFCJMI-FUHWJXTLSA-N 447.609 2.373 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1740850008 CVUFGISMDJJBLR-UHFFFAOYSA-N 438.580 2.428 30 10 IEEE C=CCn1c(N(C)C2CCN(CCn3cccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740950190 UVRPUDVXQSJWJI-QHCPKHFHSA-N 443.596 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740957074 AKACJWJMBYDNTA-KRWDZBQOSA-N 435.507 2.497 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)cc1C 1742249075 NZLPKMXGXKTKQO-QHCPKHFHSA-N 435.532 2.366 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@H](C)O1 1745056058 DTZSRXFQSLCJTD-WMZOPIPTSA-N 436.520 2.392 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC(C)C)CC1 1748640435 VBZIWJMWBXHHQW-ZWKOTPCHSA-N 438.642 2.104 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748820632 GIHAGGFOULIMGA-KRWDZBQOSA-N 436.603 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1748824437 BAXLNCSEEGMBSC-UHFFFAOYSA-N 440.548 2.056 30 10 IEEE COc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1748941694 DPNPXDRKLIRNBL-KKSFZXQISA-N 446.577 2.270 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1749003606 OWXXJLRXVZZNOD-UHFFFAOYSA-N 447.587 2.370 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1749026808 IBMRCUCQWSJPAY-UHFFFAOYSA-N 436.585 2.484 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1749219807 TWHBZWMRYKFMOU-IBGZPJMESA-N 443.548 2.076 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749239929 PUUAAQMDSAZKJG-IBGZPJMESA-N 434.562 2.382 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(COC)CCOCC1 1749472020 XSAUUUSMCCQHIW-UHFFFAOYSA-N 434.562 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749655680 OYMXVGNPXCXPOA-QVKFZJNVSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1749665775 CAUNJWSDJRFXTJ-JKSUJKDBSA-N 435.532 2.119 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1750090643 PTKRVXIATDNUSC-JKSUJKDBSA-N 429.546 2.421 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)c1 1751406333 HGCBBRPCDIDESO-FQEVSTJZSA-N 438.532 2.262 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)[C@H]1C 1752458841 JNSNNQCZGOKGLC-ZQIUZPCESA-N 439.545 2.135 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760142334 ZHWIEAUXUFLUSY-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1760219084 UKMJLPFVASHRNG-XZOQPEGZSA-N 433.556 2.318 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1n[nH]c(C)n1 1760247887 UKAWJFFUWAHTKG-UHFFFAOYSA-N 432.488 2.355 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1760257656 DBCFKACSQHYRCA-UHFFFAOYSA-N 430.560 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)CC1 1760260606 ZBRJPWIFTRWTSM-HNNXBMFYSA-N 438.479 2.113 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(C)(C)O)c1 1760500245 GKAXNMYCXHJQDM-UHFFFAOYSA-N 427.549 2.429 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(F)c1 1761235523 BOZUHLCCUPXNBW-UHFFFAOYSA-N 448.506 2.197 30 10 IEEE CC[C@@H](C)c1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761843307 MWHHJWAZTWHVJU-RWNPKEDZSA-N 429.569 2.239 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)CCC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1762421061 HACUVRKKVABNHE-QZQOTICOSA-N 440.552 2.148 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1765479070 ZHIOQHASSBVUHS-GJZGRUSLSA-N 429.525 2.154 30 10 IEEE CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCOC)C2)n1 1767648006 DHYJBEMMOVMLME-LJQANCHMSA-N 448.531 2.251 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1769508372 BJFGPHNZFVXEBI-QZTJIDSGSA-N 426.477 2.475 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1771326980 HGMJKKLSRSDXCO-HXUWFJFHSA-N 440.548 2.065 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1771535359 KFHDHPIXXWVVOF-ZWKOTPCHSA-N 438.523 2.268 30 10 IEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@H]1CCN(C)C1=O 1848748374 PDPVDMIGXPDNAY-AWEZNQCLSA-N 445.994 2.048 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)c1cccc(F)c1C#N 1851140595 ROWFRQLDNYMETD-UHFFFAOYSA-N 447.488 2.394 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H](N1CCS(=O)(=O)CC1)C(C)(C)C)c1ccccc1 1851537650 PHYKCMMYXIPCIL-KRWDZBQOSA-N 438.619 2.040 30 10 IEEE COc1cc(CC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc(OC)c1OC 1853046572 KEGVGJHCNLJKBX-UHFFFAOYSA-N 429.517 2.256 30 10 IEEE CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854400966 JLOZHITVYZFMGL-UHFFFAOYSA-N 433.530 2.314 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)cccc2Cl)cc1 1859010679 BWVZRGDDCGTMCO-UHFFFAOYSA-N 438.864 2.500 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1 1862608963 ZUUDXCMVISDNDY-SZNDQCEHSA-N 438.480 2.483 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cccc(O)c2)cc1F 1862639253 UQNLNUREUBGVLB-LJQANCHMSA-N 428.416 2.254 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1870142799 LUQRPSRRBVPQNY-UHFFFAOYSA-N 430.424 2.404 30 10 IEEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870563116 MWUWQICDZNVHFG-UHFFFAOYSA-N 430.505 2.492 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(C(=O)OC)cc1 1874500846 CQRAZEVOOYDSDU-LSHDLFTRSA-N 443.485 2.095 30 10 IEEE C[C@@H]1COC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)N1C(=O)OC(C)(C)C 1908277011 VLBYQMJYWNPMFH-YZGWKJHDSA-N 428.533 2.247 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 1993322592 OSGRHHBWZKPGAK-JKSUJKDBSA-N 427.542 2.334 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@]12CCCOC2 2054340179 YBPXIAJRRCTDKH-XJKSGUPXSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754380 MHJWIVXIQYAELP-IVZQSRNASA-N 436.358 2.301 30 10 IEEE Cc1ccc(C#CCN)c(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2146010689 TUJAIYFXBCWJON-UHFFFAOYSA-N 425.510 2.123 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2247901402 KCZLEMFHHMITBL-PHZGNYQRSA-N 442.387 2.206 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905448 UBKVQIPRJKFXKG-HUUCEWRRSA-N 448.366 2.441 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247920569 ZQSSMWVYCPUEDX-OLZOCXBDSA-N 437.371 2.394 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 2255148376 NESOXGYCSLMJCA-GBXAEXGJSA-N 449.548 2.140 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255818836 QUHVSECPWZVECZ-HUUCEWRRSA-N 435.305 2.305 30 10 IEEE Cc1nc(NC(=O)[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256742399 VRSCHHSDRVTJKM-HIFRSBDPSA-N 432.330 2.326 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC/C=C/CNC(=O)OC(C)(C)C 2257492140 RXRDXVHWVPKCAT-MDZDMXLPSA-N 431.342 2.500 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267133569 DFLGAHNTSAZFEO-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 2267143030 BWSYSGUMOWZKFQ-NVXWUHKLSA-N 446.357 2.227 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2267493435 ZQGDSGLVCXVLCM-HOTGVXAUSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)C[C@@H]12 2267812197 XDGLWTHBOBDSCR-HZPDHXFCSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873623 ZJOPXCSINRKMEB-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268632436 KGMHRJBGULRXCT-QAPCUYQASA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@](O)([C@@H](N)C#Cc2ccc(Br)cc2)C1 2278791423 RQCCFYHWLUNLIV-LPHOPBHVSA-N 425.323 2.126 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@@H](CF)C3)cc2Cl)OC1(C)C 2282306804 SHUFFZHWXBUXDF-JTQLQIEISA-N 425.740 2.060 30 10 IEEE O=c1c(Br)c(NN=Cc2ccccc2Cl)cnn1[C@@H]1CCS(=O)(=O)C1 2322659794 MINQDLNOWXQPQN-LLVKDONJSA-N 445.726 2.465 30 10 IEEE CCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)cc1OCC 2330772978 ZBBQZCUCPRHCCB-UHFFFAOYSA-N 449.533 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2334264744 KENTUXBVMPRWHI-JQHSSLGASA-N 443.353 2.366 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCN(Cc2ccccc2)C1 2337198418 JNLBIAWRDSLILC-LJQANCHMSA-N 438.381 2.456 30 10 IEEE Cn1cc(C#C[C@H](NN)c2ccc(I)c(Br)c2)cn1 2340450628 WJAFTBTUWJTBAD-ZDUSSCGKSA-N 431.075 2.343 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2C1=O 3568590 SDYHKYPWDHNXQT-UHFFFAOYSA-N 427.344 2.311 30 10 IEEE N=C(N)N/N=C1/C(=O)N(C2CCCCCCC2)C(=O)[C@@H]1C(=O)NC1CCCCCCC1 108794576 SAGABTFLQRFBNN-DXMZOVICSA-N 432.569 2.152 30 10 IEEE CC(C)(C)OC(=O)N(CCc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCNCC1 382600960 OJKHUPLCGLOKIK-UHFFFAOYSA-N 432.374 2.307 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 438761775 SELBDZIXVTXOAK-ZDUSSCGKSA-N 428.923 2.185 30 10 IEEE COc1ccc(Br)cc1S(=O)(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 443418534 OCMDNFKFBUVDIN-UHFFFAOYSA-N 448.302 2.441 30 10 IEEE N#Cc1ccc(CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)C2CC2)cc1 460898090 QIXIJDXGAMNGLL-ICSRJNTNSA-N 441.557 2.400 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)cc1 468969464 NYBLWMPGLXJJOQ-HXUWFJFHSA-N 435.484 2.119 30 10 IEEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 475751789 AMQONQNELZUGJX-UGSOOPFHSA-N 439.299 2.290 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 488256796 AWYXPGDXMSBJGR-OALUTQOASA-N 426.517 2.422 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2cccc(F)c2F)CC1 489174283 IXUCLIVBSGRHHJ-UHFFFAOYSA-N 434.468 2.095 30 10 IEEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](COc3ccccc3)OC(C)(C)C2)n1 501883305 CDKNNHMVBODLDG-GOSISDBHSA-N 425.489 2.359 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)NCc2ccc(F)cc2)cc1 502425822 QDZXNIVWGVURST-GOSISDBHSA-N 441.488 2.037 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)CC1 502679298 JWKSBNQCGDBWMF-UHFFFAOYSA-N 425.411 2.059 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)c(OC)c1OC 507378854 HADANNKEGXMENF-UHFFFAOYSA-N 445.541 2.232 30 10 IEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508723675 KXNXAJBDTRHUPZ-UHFFFAOYSA-N 435.532 2.080 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCCc2cccs2)CC1 508827282 QQGAXUNJRLTWNF-SFHVURJKSA-N 431.562 2.189 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 508896833 UPENOYFINIMMIR-UHFFFAOYSA-N 449.577 2.399 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 533227303 BJQOVANURYTXLK-MSOLQXFVSA-N 430.574 2.448 30 10 IEEE N#CC1(c2ccc(C(=O)N3CCN(S(=O)(=O)c4c[nH]c5ncccc45)CC3)cc2)CC1 539631305 GCFQAPMSHIFQSY-UHFFFAOYSA-N 435.509 2.265 30 10 IEEE COc1ccc(Cl)cc1NC(=O)CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 546923148 ZXSMKJFMYAWHNM-UHFFFAOYSA-N 442.907 2.476 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 558994253 DLUOQFHCMJNPTJ-INIZCTEOSA-N 444.561 2.384 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)ccc1Cl 604036654 KQHLLJPNQOEVFA-UHFFFAOYSA-N 444.944 2.107 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 609117866 VSOTVTCQSPYTMH-UHFFFAOYSA-N 428.514 2.109 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 610343395 FOXCSYGVLRWFBD-CABCVRRESA-N 430.530 2.495 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(NS(=O)(=O)CC)c(OC)c3)cc2C1=O 617215136 XXUIQLFHUPIGKR-UHFFFAOYSA-N 443.481 2.491 30 10 IEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 619740923 IQRYJPIBHSFILI-GCJKJVERSA-N 433.560 2.382 30 10 IEEE C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669806968 GQOHUJRCYTUKTE-UGKGYDQZSA-N 438.576 2.340 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCN(c3cccc(C#N)n3)CC2)n1 760911809 QPCZIMXESDHNBS-UHFFFAOYSA-N 427.509 2.418 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)s1 788094975 FNEXDRRWADRCDS-UHFFFAOYSA-N 445.320 2.477 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 788578037 UFZRHUCPVMXWOS-DABWLCNRSA-N 447.561 2.024 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)C(F)(F)F)cc1 789050376 UGVJTDGTJIHJSN-UJLHSTPFSA-N 436.456 2.324 30 10 IEEE C=CC[C@]1(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790763150 GLGOZCBEPVTIEY-RZQQEMMASA-N 429.583 2.166 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC1CCN(C(=O)OCc2ccccc2)CC1 798624298 BIFCCDQCFMHKNC-DQRAZIAOSA-N 441.484 2.495 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)ccc1F 799722300 LVMYLASPXGCZLJ-UHFFFAOYSA-N 444.492 2.189 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 802580853 HFNRITGILRANJS-LJQANCHMSA-N 427.505 2.401 30 10 IEEE Cc1ccc(NC(=O)COC(=O)c2cc(C#N)ccn2)cc1S(=O)(=O)N1CCCCC1 803845703 LQPFUDGSCMDFRK-UHFFFAOYSA-N 442.497 2.232 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 807945173 GDGJULOVFJHYCS-UHFFFAOYSA-N 446.348 2.026 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccc(F)cc1 812748558 URMBRNVHVRZFAG-WOJBJXKFSA-N 446.500 2.346 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1snnc1C 813561092 CXYSIZSAIJCYOK-MRXNPFEDSA-N 446.602 2.355 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1137551304 DUMJFAPGTSHOND-DENIHFKCSA-N 441.425 2.392 30 10 IEEE N#Cc1c(F)cc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 1138759040 HJAYONVWPJLSSY-UHFFFAOYSA-N 436.436 2.478 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)C1 1248681039 AKVOOHHQQTWECV-GUDVDZBRSA-N 436.478 2.330 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286355827 BANJFGTURZRQRJ-IBGZPJMESA-N 440.573 2.213 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCOCC2)CC1 1286473990 WXVLJARZXMDTGI-UHFFFAOYSA-N 425.533 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1286490039 GJGCFNYCFYQWQW-MRXNPFEDSA-N 444.580 2.282 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1286676416 KPBIVEDJGNJJHG-JOCHJYFZSA-N 434.585 2.384 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1286722367 IGVVKLMZTIHEEC-UHFFFAOYSA-N 431.500 2.044 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(N(C)C)CCSC2)C1 1286813375 ZPMUBRJQWWNTJT-DENIHFKCSA-N 428.606 2.483 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286832629 MHUFTSFHXDRKSF-MSOLQXFVSA-N 434.610 2.283 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1287069118 HUDWYESHNONHFN-INIZCTEOSA-N 431.541 2.274 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@]2(CCOC2)O1 1291278905 DVRNWCNNGCVNAI-HXOBKFHXSA-N 441.532 2.274 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1298586170 SHNQBLTZDLDQSF-FQEVSTJZSA-N 434.558 2.166 30 10 IEEE COc1ccc(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)cn1 1300201030 DXGMTEMALHSYHF-OAHLLOKOSA-N 444.499 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCSC1 1300574834 MDWQBRHSDQNPBM-KRWDZBQOSA-N 442.614 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@@H]1OC 1300578581 MUWOPCOFZKGPPO-COPCDDAFSA-N 436.512 2.305 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1300603287 YIUSVADUIFGNJK-GOSISDBHSA-N 442.539 2.181 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCC2)CC1 1301484944 OZQAPVCTYGSPEQ-UHFFFAOYSA-N 439.520 2.220 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1301557222 NQFZBRVVYDSNAP-AZUAARDMSA-N 443.523 2.061 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1301567612 KLHCVNHKXGLOMO-QGZVFWFLSA-N 449.552 2.150 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)N(C)Cc1ccccc1 1303711501 FBJSKFXXZBHJAX-NRJQMVOHSA-N 425.512 2.192 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]([C@]4(C)COC(=O)N4)C3)ccc2c1=O 1303765047 IQVUOYIGGFAFJK-SZNDQCEHSA-N 428.514 2.222 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCC1 1314896121 VYZGLMKYZDHKAZ-HNNXBMFYSA-N 449.353 2.470 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1([S@](C)=O)CCC1 1316289763 GVQNOFUFQHJZOK-DNPXCPFQSA-N 435.594 2.433 30 10 IEEE CSc1cc(C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1316413411 AIKQFNRNSONBJV-KRWDZBQOSA-N 426.546 2.208 30 10 IEEE O=C1C[C@H](C(F)(F)F)[C@H](C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CN1 1352326920 IGQNOHIGNJUGFA-SFYZADRCSA-N 445.310 2.345 30 10 IEEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCOC(=O)CNC(=O)C(C)(C)C 1353817798 KNSJNMXIDYAUEI-UHFFFAOYSA-N 435.473 2.211 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1358885980 VJCRXYHODKDZSP-UONOGXRCSA-N 438.504 2.120 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccnc(C)n2)CC1 1358904105 UYFHLYVTFLZSPI-UHFFFAOYSA-N 438.580 2.425 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1359010635 VNQWYAFRYGIWGF-FQEVSTJZSA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN2CC)CC1 1359038979 SDPUNPXIJHCEBX-FQEVSTJZSA-N 426.540 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(OC)C2CC2)CC1 1359043794 IXHCHZIDPFYMDW-XMMPIXPASA-N 436.560 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2COC)CC1 1359043988 QGKUIWOTJNAGTL-UHFFFAOYSA-N 432.528 2.434 30 10 IEEE C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1360562446 BCGDFEHJLNCGKB-UGKGYDQZSA-N 437.592 2.316 30 10 IEEE C=CCN(C(=O)c1ccc(I)cc1OC)[C@H]1CCS(=O)(=O)C1 1456082196 HSIWUDASGJVWCT-LBPRGKRZSA-N 435.283 2.115 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC 1457039167 FUMXOPVGULRYOH-IAGOWNOFSA-N 439.553 2.387 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)COC1 1463837952 OYXWXIPCCCSVJR-UHFFFAOYSA-N 428.533 2.276 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@H]3CCCCCN(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1471046756 OEMOQDUOZHIQJZ-ONTIZHBOSA-N 430.574 2.011 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1471089096 HJCIWDUMXWPJMR-UHFFFAOYSA-N 425.510 2.458 30 10 IEEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCCC1 1473647857 UGVMMKUBSFZKFJ-UHFFFAOYSA-N 431.602 2.487 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H](C(N)=O)[C@H](c2ccccc2)C1 1475394056 GGQPGFZSAIAAGZ-LSDHHAIUSA-N 434.315 2.210 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)NCc3nn(C)cc3Cl)c(C#N)c2N)cc1 1478667280 YWKZRTREMVLBQE-UHFFFAOYSA-N 426.912 2.454 30 10 IEEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cn1 1503657049 CCRXGGQASIIRDK-UHFFFAOYSA-N 432.532 2.293 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1507537343 HFOMGJKTMLLUJX-HZPDHXFCSA-N 444.557 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCS(=O)(=O)C1 1507544858 DTNOFXHQKLJJFE-IRXDYDNUSA-N 432.546 2.148 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cccc(Cl)c1 1507713838 YUDSEUHLCVAPMZ-QFIPXVFZSA-N 445.951 2.048 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)N(C)C)CC1 1507722551 ZPMXXMJWLYVHPC-FQEVSTJZSA-N 438.576 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCC=C)CC1 1507722680 FFAIQYXRNCDVHN-UHFFFAOYSA-N 425.558 2.391 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507845483 HJCXVMCYNCERRB-UHFFFAOYSA-N 437.541 2.083 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507845511 IBMGVVHPEPIAFR-GOSISDBHSA-N 432.613 2.249 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1507942513 DIMWFFCOFKSOQZ-IERDGZPVSA-N 431.562 2.490 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1508072839 KWTPSECKOVSFMF-UHFFFAOYSA-N 430.940 2.205 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)C1 1508127871 WZJQABJVUOFENU-UXHICEINSA-N 425.533 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(OC(C)(C)C)CC1 1508138998 BPPLFWFUOXAITG-UHFFFAOYSA-N 434.566 2.120 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CCOC1 1516129792 IUJVQTMWZPYGFC-JZZBYWGLSA-N 433.553 2.397 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1516830696 MPBWQYIGVVYSDV-FUHWJXTLSA-N 432.525 2.255 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)ncn1 1517612642 BDRXVTHOVIXKBK-KZNAEPCWSA-N 439.568 2.269 30 10 IEEE CO[C@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1517804169 VQZJRMAXNPVYFE-HZPDHXFCSA-N 449.437 2.213 30 10 IEEE C#CCCCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539140430 NXQNYMDJPPJESV-AVRDEDQJSA-N 433.553 2.447 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1540058879 YRNDAIXAJUNCNL-UHFFFAOYSA-N 425.497 2.068 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C)C1CC1 1540114481 LYNKDRDEUFCIBM-MRXNPFEDSA-N 428.562 2.339 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1540140280 UIOMYIHDZMKHFA-LJQANCHMSA-N 429.496 2.320 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCOC2)C1 1540899349 LCHOAGKLDSINNW-HXUWFJFHSA-N 447.517 2.071 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1541279289 NHLSFCPIOCBJBK-QGZVFWFLSA-N 426.521 2.116 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ccoc1 1541950584 KEAWCBNYVUXVAA-IPELMVKDSA-N 440.529 2.273 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1543118996 PEMMXLQQHXSINX-TZIWHRDSSA-N 435.446 2.259 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)c1 1543315283 UXHOOJAYEZPRKY-UHFFFAOYSA-N 425.489 2.148 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC1CCN(C(C)=O)CC1 1555741077 KAJCUDPUWFACON-PMACEKPBSA-N 444.580 2.391 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccsc2)nnc1N1CCC(F)(F)C1 1556022727 MSJYQBHZSARINT-WUKNDPDISA-N 434.472 2.302 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1 1556691684 QGVICLPCYOTMII-RBUKOAKNSA-N 425.529 2.445 30 10 IEEE C=CCC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1557422431 WZFRLXSAZHVJPE-UHFFFAOYSA-N 438.546 2.148 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)CC1 1563206214 RPYXBPMYZNPWMF-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 1566358747 LPYXOYCJOUBLRJ-FYYLOGMGSA-N 440.565 2.096 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)C(=O)OC 1568154447 JBYHBIXCTKTDHL-CVEARBPZSA-N 428.432 2.391 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1583811744 KBZLCGOEQSZKCB-NHCUHLMSSA-N 427.526 2.293 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1585305509 ZUMSTBBENIBUMA-SFHVURJKSA-N 427.501 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1588162042 HCLMEGDRPXHHFS-GOSISDBHSA-N 427.936 2.304 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1588975596 HRSFRIFTYXHEHA-GOSISDBHSA-N 431.537 2.500 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1589216644 UEFPXFHBCXUQLF-LAUBAEHRSA-N 435.594 2.205 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(C)=O)C1 1589577521 BXQMPONLMDMGPD-TXVWBRJLSA-N 447.580 2.088 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1)c1ccccc1 1593788838 DHOSOEJJUJZCJY-IBGZPJMESA-N 443.573 2.346 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCSC1 1595070838 OROQRXZPGXRNMR-JOCHJYFZSA-N 445.589 2.486 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1595303298 PXRYFVHHOKAYLA-MSOLQXFVSA-N 446.573 2.385 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C)[C@H]1C 1595550311 CGDOHJKMKWQNEO-VKJFTORMSA-N 429.546 2.423 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](C)(C(N)=O)C1 1595659461 ZFDVJXBVQSUBKK-JPYJTQIMSA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@@H]2C)C1 1595729841 PYCSTHNAJDBUCD-XCGNWRKASA-N 434.487 2.468 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1596830445 ANZKFPOBDWTKQM-YLJYHZDGSA-N 440.548 2.497 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)C3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)cc2C1=O 1607743189 ROSPYAVGZHPJGN-IRXDYDNUSA-N 425.485 2.406 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(C(=O)OCC)c(Cl)[nH]2)ccc1F 1610897804 LEPJUPMNMDYBGC-UHFFFAOYSA-N 430.845 2.096 30 10 IEEE Cc1ccc(N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1612095374 ZWSNTBVNNYPPCD-XUTLUUPISA-N 432.488 2.281 30 10 IEEE CCCC(O)(CCC)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1614416841 CGPFZDCNMNWLSJ-OAHLLOKOSA-N 430.509 2.066 30 10 IEEE Cc1cc(C)cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)NCc4ccccc4)[C@H]3S2)c1 1614963311 XNDLTVPCAXEIAF-PFAUGDHASA-N 425.554 2.423 30 10 IEEE CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc21 1617304323 HXYSLHVODMDIAS-UHFFFAOYSA-N 428.445 2.076 30 10 IEEE COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CCO 1617907140 HOKSVTNXLGGRBO-HNNXBMFYSA-N 427.295 2.135 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)cc1 1622886450 GIGAIIBFWNDDSY-NRFANRHFSA-N 446.529 2.488 30 10 IEEE Cc1ccc(-n2ncc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c2C2CC2)cc1Cl 1630030296 BBOVKPQJYSBEEX-UHFFFAOYSA-N 438.875 2.276 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 1633751054 YNIMIIRPLLHEFJ-ZOBUZTSGSA-N 449.573 2.376 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H](CO)CN1CCCCC1 1636340971 DBBAOGGSETVANY-TZIWHRDSSA-N 442.560 2.356 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1637500083 DFGGQGJZJLQZML-SFHVURJKSA-N 433.553 2.488 30 10 IEEE CN(Cc1nnc2n1CCN(C)C2=O)C(=O)c1cccc(COc2ccccc2C#N)c1 1638204065 FRCRXFKWRJUJTN-UHFFFAOYSA-N 430.468 2.087 30 10 IEEE C#CCN(C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)C1CCN(C)CC1 1639165384 XUYOMYWABIQYEI-UHFFFAOYSA-N 425.533 2.200 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)CC1 1641112504 AAFJGWVTDLUDJC-UUOWRZLLSA-N 448.560 2.454 30 10 IEEE COc1ccc([C@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1644249293 YPQGHLSJLLUZCL-LJQANCHMSA-N 429.498 2.019 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 1644438012 MQRSKSNXZNROEZ-LBPRGKRZSA-N 442.182 2.432 30 10 IEEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1647405704 XBJDEMZUDGKMRZ-MRXNPFEDSA-N 427.517 2.086 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCc4c(sc(N)c4C#N)C3)CC2)C1 1648528922 VMJZYLGHRVWTOX-OAHLLOKOSA-N 429.590 2.057 30 10 IEEE COc1ccc(Cn2nnc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c2C)cc1 1649041047 NYUHVOBGSJHBLH-UHFFFAOYSA-N 449.467 2.161 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ncn(Cc3ccc(C#N)cc3[N+](=O)[O-])c(=O)c2CC1 1652776602 WIZPHYZOUDOXSL-UHFFFAOYSA-N 425.445 2.407 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCCS(=O)(=O)C[C@H]2C)n(Cc2ccccc2)c1C 1660284634 YSMHGDJMANVRRW-MRXNPFEDSA-N 428.558 2.472 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)c1cnc2c(Br)csc2c1)C(=O)OC 1663617871 PALGAVVNIIFNNM-LLVKDONJSA-N 435.321 2.081 30 10 IEEE N#C[C@@]12CN(C(=O)NCC/C=C/c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1684316835 DFJPWUIPUIRRBF-FINUBTMNSA-N 438.347 2.432 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)CC1 1684564436 YKEGLVTXKOFKMD-AITUJVMLSA-N 432.565 2.334 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1689861558 XARYNDZBGGUFCR-JKSBSHDWSA-N 443.573 2.456 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1689864739 HKVISHQFQTUPSO-SFHVURJKSA-N 425.533 2.188 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689983726 GATFHQQWBGAFRN-KUDFPVQQSA-N 434.562 2.270 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2sc(C)nc2C)CC1 1690113485 KXODZYFBSUHZRQ-QFIPXVFZSA-N 444.605 2.196 30 10 IEEE Cc1ncsc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1692914451 ASRKYYYOKLWGFH-RDTXWAMCSA-N 437.595 2.026 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1693399920 DQEOZLPRYFYGNT-UHFFFAOYSA-N 441.561 2.086 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1696562448 KQCOMNUZUSFYNE-UHFFFAOYSA-N 428.562 2.431 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1696807776 NABZDRQDWQTZPD-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cc1 1697336886 RQRLULFGJOVYLP-HNNXBMFYSA-N 427.486 2.090 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCOC4)n3CCSCCCO)CCO2)c1 1698485611 JUXBSRXAPJHQFG-VQTJNVASSA-N 443.573 2.347 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)nc1OC 1705500611 QJZWMAZSJNMREF-CQSZACIVSA-N 440.529 2.188 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1705568819 VPGYEUAXDUNTHB-IBGZPJMESA-N 444.605 2.203 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1705635197 SXBUOLRGNPZUDE-LGVFNWMJSA-N 445.608 2.281 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCNS(C)(=O)=O 1705677121 BSHOKXQRPDNJEJ-OAQYLSRUSA-N 431.562 2.097 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1707542653 HVTBLTWRAKUQEW-NNMXDRDESA-N 429.496 2.456 30 10 IEEE CCc1cnc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)s1 1708966825 BVHKGQHVIFWSLB-WBVHZDCISA-N 445.593 2.246 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1722282392 YSDWYXKPTJQKJA-SBUREZEXSA-N 443.523 2.266 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722366518 RHMKCYFZMLBWCR-INIZCTEOSA-N 426.464 2.366 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722462037 HYAWBAOOUIHOIS-QRWLVFNGSA-N 433.603 2.384 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1722660506 XDLLWAJVQFSWEM-QGZVFWFLSA-N 449.552 2.038 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722688592 GQKTYXSDXWZEPC-SPLOXXLWSA-N 446.939 2.075 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722691846 AVAYUJIFTOACJS-PXNSSMCTSA-N 428.537 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1722697801 PUAYUNQMDHORDL-NRFANRHFSA-N 448.575 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1722713582 HZMYEGXAPSLWNH-SFHVURJKSA-N 431.562 2.235 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)C1 1722713667 ITSOAGRYSSEOLF-CVEARBPZSA-N 432.912 2.138 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CCC)C1 1722717299 HVVUZORHBFOWSP-SIKLNZKXSA-N 438.536 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1 1722728250 UFMSDERJTXNFLL-UHFFFAOYSA-N 443.529 2.243 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccco1 1723611840 DKTXYIDAWNTLQQ-UHFFFAOYSA-N 437.479 2.395 30 10 IEEE CN(C)CCN1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1729338288 RJLJABBZDHPORL-OAQYLSRUSA-N 429.613 2.186 30 10 IEEE CN(C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1729371211 ISSMMDLAJIXGEQ-UHFFFAOYSA-N 434.566 2.240 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1F 1730131780 GPKGBCAHIZEFCA-GOEBONIOSA-N 435.525 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1740532978 NMGZYTOUIZOVFO-QWHCGFSZSA-N 429.468 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1740552045 MYKJBOFGDBXVJJ-BJLQDIEVSA-N 433.622 2.435 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740585317 QFINUCIIVAUKMG-ZWKOTPCHSA-N 438.532 2.444 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1740712993 BGAPWZMMMXWNPD-QFIPXVFZSA-N 443.573 2.421 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740714190 SQQBZRSRFODZAA-GOSISDBHSA-N 438.601 2.101 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740721117 XIQZQJACXPEZKT-FQEVSTJZSA-N 437.573 2.425 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1740951213 DBIXIJQFCXKKIY-RDJZCZTQSA-N 428.924 2.152 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)C1 1740984975 MZCZBXQUSNKLHC-LJQANCHMSA-N 438.532 2.282 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1741370711 SRVMPNVDTITCDB-DLBZAZTESA-N 428.512 2.279 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(N(C)C)CCSC2)CCOC1 1741725827 VZFDGOLBFNJMFD-YADHBBJMSA-N 448.637 2.496 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC(C)(C)C1 1748686679 UKNZOANXUAQUEM-SFHVURJKSA-N 427.549 2.434 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1748823826 CAYNJWFAQGQKJS-OALUTQOASA-N 446.573 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1748831338 LIQYOFRFLHMKCE-VLIAUNLRSA-N 447.308 2.459 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@H](C)N2CCCCC2)CC1 1749015712 KJEYLZALQMZMHH-IBGZPJMESA-N 426.609 2.461 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC[C@@H]1C 1749220099 AZVKYWFBYBOTPX-QFBILLFUSA-N 447.561 2.025 30 10 IEEE C=CCCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1749439568 CIDPSZLRXUIYNB-KXBFYZLASA-N 445.486 2.401 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC1(CN2CCOCC2)CCCCC1 1749498734 HCWQYIXKEGUCNS-UHFFFAOYSA-N 430.597 2.305 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1749677002 KNSDFECEFGZCAE-KRWDZBQOSA-N 428.581 2.008 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1750474810 LRVIZZCVAAVHME-QFIPXVFZSA-N 441.605 2.328 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1760191018 ZJFHQMJUMZOIAM-IBGZPJMESA-N 447.630 2.280 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1760198339 FUCSJNFNESQBFB-INIZCTEOSA-N 443.910 2.305 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)CCCO2)n1 1760252523 OVVMAEDDJPXUBP-AUSIDOKSSA-N 442.564 2.224 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760416850 OUSKSPJHZKOXDA-DLBZAZTESA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760524849 LIFSXKYSGFHAGT-APWZRJJASA-N 428.968 2.497 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760565444 XLHDNRZOXAWGLT-KRWDZBQOSA-N 431.566 2.026 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)O1 1762426301 LPVYALURDIMZGW-CKJXQJPGSA-N 425.493 2.002 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C[C@@H]1O 1770628290 WEALGYMJOBWUBW-UIFIKXQLSA-N 441.532 2.131 30 10 IEEE C=CCOc1ccc(-c2nc3sc(=C4C(=O)N(C(C)=O)c5ccccc54)c(=O)n3n2)cc1 1772723473 TYVFCPHPBALSJV-UHFFFAOYSA-N 444.472 2.194 30 10 IEEE CC(C)[C@H](C(=O)N(c1ccc(C#N)cc1)c1nccc(Cl)n1)N1CCS(=O)(=O)CC1 1851534047 WLONFEZRAGCMPS-GOSISDBHSA-N 447.948 2.421 30 10 IEEE COc1cc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)nc2ccccc12 1852455336 WXQYCUZEZUHKRL-UHFFFAOYSA-N 427.468 2.386 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCC[C@H]1C(=O)N1CCN(c3ccccc3)CC1)OCO2 1852855870 VAPJIONZXMKDNX-NRFANRHFSA-N 446.507 2.169 30 10 IEEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)CC1 1856146021 DIYLIUOJEQHTEL-HNNXBMFYSA-N 439.484 2.297 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCc2ccncc2)c(C(=O)OCC)c1C 1860761546 XWPLCKAXMRHQJZ-UHFFFAOYSA-N 431.470 2.226 30 10 IEEE COc1ccc(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)c(OC)c1 1860910299 HZWTVSDWJNHFLQ-UHFFFAOYSA-N 448.439 2.290 30 10 IEEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(CCN2CCOCC2)C1=O 1863709008 YROASPDWNLBUIZ-UHFFFAOYSA-N 447.535 2.453 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1CN(C)CCO 1870339318 LPNQHHQCGHRIGJ-UHFFFAOYSA-N 439.434 2.495 30 10 IEEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870368410 PCMRXVZSGWXVGL-UHFFFAOYSA-N 435.521 2.031 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870395114 FTCKOIZXCUONPT-RTBURBONSA-N 425.529 2.339 30 10 IEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871120196 AOLMBQLPLHTEHN-UHFFFAOYSA-N 426.473 2.481 30 10 IEEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1c(OC)ccc2ccccc12 1874434303 YOYPXOGJZPKBDP-LSHDLFTRSA-N 427.486 2.223 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 1891026855 VFNGPUAUQMQSDO-FQEVSTJZSA-N 442.560 2.347 30 10 IEEE C#CCOC1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 1892041841 LBHVTZVIUKIUDU-UHFFFAOYSA-N 436.892 2.432 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)CCN1Cc1ccccc1 1914739486 TWXUTZYAIWCLNY-WIOPSUGQSA-N 447.539 2.135 30 10 IEEE C#CCN(CCO)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229103601 BXCOFKOIJPQBTG-INIZCTEOSA-N 425.323 2.339 30 10 IEEE C=C(CS(=O)(=O)NCCC1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243434930 HSUXSPOHXSVPGZ-UHFFFAOYSA-N 430.376 2.350 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2247903689 IQAGRMRMSOAFRU-QWHCGFSZSA-N 440.293 2.035 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247905571 IWSVGKBFPNOWTL-KSFYIVLOSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248439808 BYQHCIAUARGCGQ-AWEZNQCLSA-N 435.355 2.330 30 10 IEEE Cn1ncc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2255542234 ORAIYGCALTZYOU-IBGZPJMESA-N 425.338 2.133 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628222 FMKJTIGQBHMPDD-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)NC(=O)OC(C)(C)C 2255632258 KTCCPFZNTVNMQN-CQSZACIVSA-N 436.362 2.061 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255657641 RZIPODFTUCMGSB-AWEZNQCLSA-N 436.362 2.047 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256595939 RNDYQHMFUSILMZ-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE Cc1c(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997075 RQLHWVKKIKCJHF-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267110214 ARVYKLSPMGFWGA-CVEARBPZSA-N 446.353 2.086 30 10 IEEE CN(Cc1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)n1)C(=O)OC(C)(C)C 2267289578 RQCGQXPQTSSBRY-UHFFFAOYSA-N 446.317 2.051 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2267516747 IJGYWOWDHSUPIQ-LPHOPBHVSA-N 438.381 2.421 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2267570336 AXFQVLNERDAIJX-HZPDHXFCSA-N 445.369 2.263 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267611959 DZRBLWITBRLGEU-RDJZCZTQSA-N 443.353 2.462 30 10 IEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268635580 STTOSIIBTXANIK-MPGHIAIKSA-N 448.369 2.437 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)O 2269076364 UFETYAKRGCUXBD-BEFAXECRSA-N 442.321 2.113 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3OCC[C@H]3F)cc2Cl)OC1(C)C 2282312872 CMXFEECHCRCEIS-GHMZBOCLSA-N 425.740 2.106 30 10 IEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)c1 2296609559 YTJKWDBXXUPMNZ-HXUWFJFHSA-N 442.516 2.417 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2301660668 FDZKHUOFOLNMIW-ZDUSSCGKSA-N 425.310 2.472 30 10 IEEE C[C@@H](C#CC(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C 2302423439 MWLOCSGJQHGTGA-IBGZPJMESA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322298727 ATGSAIFGRPFIPR-BBRMVZONSA-N 437.321 2.472 30 10 IEEE COc1cc(C=NNc2cnn(C)c(=O)c2Br)cc(Br)c1O 2322668130 PTFBMVZYGDNOQE-UHFFFAOYSA-N 432.072 2.466 30 10 IEEE COC(=O)CSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(O)cc1O 2328288377 LDZHQODUERJODG-UHFFFAOYSA-N 444.469 2.424 30 10 IEEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCC(N)=O)cc(OC)c1OC 2330473865 ULNIGLQPHFTFNG-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE C#CCOCC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 49447371 WZAJHDPDQYKXEC-OAHLLOKOSA-N 430.979 2.443 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 59412187 ZSFVBLNBQZJYFL-XLIONFOSSA-N 437.496 2.316 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1 254825476 HZGNJFVUZQYUIV-UHFFFAOYSA-N 425.535 2.047 30 10 IEEE aggregator CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 409547242 CNFKSVURRZKOQS-SWLSCSKDSA-N 432.340 2.369 30 10 IEEE C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)n1cnc(C#N)n1 409632562 TUSPEJLAOBZDLB-GFCCVEGCSA-N 431.294 2.351 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 468990200 MIZXRGIBSBHDHV-UHFFFAOYSA-N 427.530 2.261 30 10 IEEE Cc1ccccc1C(=O)C=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ncccn1 478255230 SURCNQOZFCBOOH-UHFFFAOYSA-N 444.541 2.482 30 10 IEEE Cc1oc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N(C)C 479222887 VZWZERFLJOYJTP-UHFFFAOYSA-N 430.530 2.127 30 10 IEEE CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(c2ccccc2F)C1=O 488255011 YWUADWPIXPCZOL-FPOVZHCZSA-N 449.486 2.245 30 10 IEEE CCCN(CCC)[C@H](C)C(=O)N1CCOC[C@@]2(CC[C@@H](CN=c3ccc(C#N)c[nH]3)O2)C1 503716945 OAEXMUPOACDYMM-NHCICSSKSA-N 443.592 2.074 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 508829121 RYFBWGINGBXKHD-INIZCTEOSA-N 432.912 2.456 30 10 IEEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1c(C)noc1C 536039156 NUMORKIKTIMGMV-QGZVFWFLSA-N 431.518 2.330 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)CC3(C#N)CCCC3)C2)cc1 545365040 COOFOEVIPRJTOP-SFHVURJKSA-N 439.603 2.399 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)CC1 604172046 OSQSYKYJWQWLMZ-SFTDATJTSA-N 441.620 2.294 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@H]1CCCO1 679925426 RAGROUHSOBYETN-GOSISDBHSA-N 433.533 2.365 30 10 IEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(C(=O)NCc3ccccc3)CC2)C1=O 725766438 VOERIWSZHSUYBC-VWLOTQADSA-N 445.523 2.311 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 750266533 TZYHCUOKTOSAGC-WELGNANKSA-N 432.546 2.087 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cnn(CC)c3)c2=O)s1 752190810 MVVAPHJGADPUED-UHFFFAOYSA-N 439.566 2.007 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)cc1C 764038363 TXXXCAILDRHITF-UHFFFAOYSA-N 446.529 2.422 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccn(C)n1 765542403 FLQHOOQLSGRJBC-IBGZPJMESA-N 442.589 2.318 30 10 IEEE CCS(=O)(=O)N1CCC(C(=O)Oc2c(Br)cc(C#N)cc2OC)CC1 769721861 KFTDMXNLMFPSSH-UHFFFAOYSA-N 431.308 2.296 30 10 IEEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771449694 ZALQRCXMPBIHME-HJPURHCSSA-N 445.516 2.127 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)C(CC)(CC)C3)ccc2c1=O 779366035 GTLZWMFOMCWVPA-UHFFFAOYSA-N 435.571 2.301 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2ccccc2C(=O)OC)ccc1OC 781517368 DDWRVJUBUQHBQC-HNNXBMFYSA-N 425.441 2.418 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 787352564 NEIRKHSZELBSOS-QINHECLXSA-N 447.557 2.086 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n1 788695694 YELIUJBPEILESF-UHFFFAOYSA-N 431.436 2.393 30 10 IEEE Cc1cccn2c(=O)c(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)cnc12 790860991 DVJSRCAVUKUMLQ-UHFFFAOYSA-N 436.371 2.012 30 10 IEEE C=CCN1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1=O 798569109 JWQBNTGIZGHCNA-OAQYLSRUSA-N 440.521 2.377 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)n2)csc1=Nc1ccccc1C#N 803180792 PZMCYDWEXWFSFC-UHFFFAOYSA-N 445.574 2.121 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 812179798 WZTRVTLIUDXPEB-QGZVFWFLSA-N 448.568 2.254 30 10 IEEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl 814749038 QPOXSQVJMYYXKO-UHFFFAOYSA-N 446.345 2.274 30 10 IEEE C[C@H](CN1CCCC1=O)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700707 RSTOPYWXJRELQV-RDTXWAMCSA-N 439.541 2.169 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=C(C)c3cccnc3)n2)cc(OC)c1 1084001903 KJFANUTZMNWXOK-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE Cc1ccc(S(=O)(=O)NN=Cc2cc(Br)c(N3CCOCC3)o2)cc1 1084562629 RZVQSEXGLLSUFO-UHFFFAOYSA-N 428.308 2.500 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1136177037 VKVIDOGRGNFYOT-UHFFFAOYSA-N 440.516 2.304 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1140019814 LQAQFCUBKKAWJD-NSHDSACASA-N 428.367 2.470 30 10 IEEE CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CO1 1166617634 XZYRJKHARKLZFF-IBGZPJMESA-N 427.526 2.433 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCS[C@@H](C(F)(F)F)C3)CC2)cc1 1177953261 IOSJFCNFLGJRLQ-MRXNPFEDSA-N 447.504 2.465 30 10 IEEE COC(=O)c1cccc2c1CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1225935931 BNWPLSLTUVAMMI-CRAIPNDOSA-N 428.489 2.300 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1286288519 HLNLOUFPJOQWSW-MRXNPFEDSA-N 435.532 2.163 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C(C)(C)C 1286366048 RFOOXRKNHZZDDJ-SFHVURJKSA-N 433.578 2.326 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286396065 UDXQIHONUAFLQH-NHCUHLMSSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nnn(C)n1 1286425019 USPWVUNTIRLJMI-UHFFFAOYSA-N 432.532 2.405 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCc2ccccc21 1286461704 VQCNXIJVFHBMJQ-LJQANCHMSA-N 436.560 2.051 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)C(=O)NC)CC1 1286470648 ATOOQYWLFCHHDE-QGZVFWFLSA-N 442.539 2.085 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286613123 QXEXFWFVAYXTIX-HSZRJFAPSA-N 441.532 2.317 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286711656 ODGFIKOFFMVPSU-QFBILLFUSA-N 427.505 2.050 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1286807136 KJXXKZGWQWIISW-SJLPKXTDSA-N 434.537 2.224 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(OC)cc2)C1 1286807538 DGCCAJYCIFCHST-AHRSYUTCSA-N 441.532 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](OC)C1 1286822327 IFEAGIZLHGHVQL-LJQANCHMSA-N 443.573 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C[C@H]2COc3ccccc3O2)nnc1C(C)(C)C 1286825171 MTHAGJDCPBNLSZ-INIZCTEOSA-N 434.562 2.453 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286833497 FWZZQYFICHPQPB-KRWDZBQOSA-N 446.602 2.059 30 10 IEEE CC(=O)N1CCC(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1286857273 UQBVRJLVJKNLJI-HSZRJFAPSA-N 444.580 2.317 30 10 IEEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291071469 BIICJUWWAFBKFI-PMFSDDQESA-N 438.536 2.220 30 10 IEEE CCc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1293131285 NKCBMMFHIYMEHD-UHFFFAOYSA-N 426.443 2.444 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1296306185 GSQXPCULCHUUBS-UHFFFAOYSA-N 430.472 2.181 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)c2cccc(C#CCO)c2)CC1 1298275189 PIFVIXHWMBIDFU-GOSISDBHSA-N 440.565 2.389 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCCCO 1298861146 IOSUZBDBCGYCRG-UHFFFAOYSA-N 434.548 2.430 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccco1 1300284095 PJGOLHKHNGHWDR-YCRPNKLZSA-N 428.514 2.307 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1300516691 HWYJZLGWWKSSBY-ZWKOTPCHSA-N 427.505 2.268 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CC=CCC2)n1 1300681301 MCBHAZJPWZWNGG-AZUAARDMSA-N 437.548 2.068 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)NCCC)CC1 1300697998 LYVFXKUXUINRFA-UHFFFAOYSA-N 447.543 2.272 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)C1 1300892835 VRIMFNXGXABMMO-XMSQKQJNSA-N 425.533 2.391 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1300899993 LGNIMHJTQSEFBN-HNNXBMFYSA-N 447.565 2.046 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300994390 RQRMXOYCTGPOBZ-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301253055 VLQAFHGSVZSCJU-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301578250 UNJFQVCPTCPJTM-QZTJIDSGSA-N 446.573 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1301592935 GUVMZDWXLYNXEV-ROUUACIJSA-N 427.530 2.318 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1302979449 QIAWXFPXALNEIZ-YJBOKZPZSA-N 441.433 2.368 30 10 IEEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)N=c3nc(C)[nH]n3-c3ccc(C#N)cc3)c2)cc1 1306606479 GDFKMBTVENPRJI-UHFFFAOYSA-N 446.492 2.469 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)c1 1314977716 OORZNKAHDIXADK-UXPWSPDFSA-N 440.548 2.200 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)O)c(C(F)(F)F)c1 1348801252 ILTIVLWGUBNAGU-OAHLLOKOSA-N 426.372 2.483 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1358924819 JWXQOJJTZLLZQR-SFHVURJKSA-N 425.533 2.287 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358960667 JFEJLYBFDUETAG-LJQANCHMSA-N 439.516 2.463 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)N1CCOCC1 1358969982 BONUCKCZMBRMSD-RTBURBONSA-N 425.508 2.351 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1359131187 KIXLFUOMVNDCDP-INIZCTEOSA-N 431.566 2.427 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1359189728 SSXMOPKAWQMYJD-IRXDYDNUSA-N 425.599 2.450 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)c1ccccc1 1359194787 BPDJMBVMHJKAAV-RBUKOAKNSA-N 448.614 2.109 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1359265593 IQLYXLPINDGHIK-BHIFYINESA-N 444.624 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1359298699 JAJZQEBCVFSSGS-HOTGVXAUSA-N 435.532 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1ccccc1 1359331621 DOYCKIXFZAPSNV-WMZOPIPTSA-N 431.562 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359333909 NROJKDMWQUPMIK-MJGOQNOKSA-N 447.580 2.282 30 10 IEEE CC(C)(C)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)on1 1359518751 NBKSFCRLFBOWEV-UHFFFAOYSA-N 440.529 2.385 30 10 IEEE CN(C)c1cc(F)c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1[N+](=O)[O-] 1440749609 ZYPUJXAPYYEVDN-UHFFFAOYSA-N 428.424 2.499 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1443891870 HXRGYBPKELAJHQ-YOSAUDMPSA-N 440.544 2.106 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)CC1 1449058581 HMNZIYUEUOBAIL-UHFFFAOYSA-N 441.535 2.355 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1471398235 OXGHBXBEVQNJMC-IAGOWNOFSA-N 437.537 2.306 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 1475829966 ALDZAOGYJIGHEO-UHFFFAOYSA-N 443.504 2.492 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1479159872 OUOQHHJEVJHDIG-MRXNPFEDSA-N 444.479 2.023 30 10 IEEE Cc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1492776471 AFAHAYDUPQTXSN-XJUMHSELSA-N 435.532 2.218 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1494642444 GDLMRUBMXDKOKP-KPZWWZAWSA-N 435.326 2.316 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1504569867 CRMQKLDLNLREFB-ZTFGCOKTSA-N 427.461 2.125 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)N(C)C)c1 1504886498 DGEJNFCYBKVMLI-LJQANCHMSA-N 426.521 2.246 30 10 IEEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1505136512 BHZNZFZBUUKQOF-PKOBYXMFSA-N 446.552 2.427 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507565783 FFGBHRRGWHPVCH-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCN(CC)C2)CC1 1507722635 CJRIGHYILHTYHS-LJQANCHMSA-N 438.576 2.059 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507845512 IBMGVVHPEPIAFR-SFHVURJKSA-N 432.613 2.249 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1507966373 QQFIGXJLMIGKSZ-QFIPXVFZSA-N 429.496 2.448 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1508095541 XJDSCUVEYLMUIX-JOCHJYFZSA-N 443.573 2.498 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1508410696 FXLAWQRRQIPQEO-VIZSFHNOSA-N 448.612 2.271 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cc2ccccc2o1 1510189105 FTSGWRUDHNENKI-VBKZILBWSA-N 446.508 2.319 30 10 IEEE CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1512339641 XKKQSJMPQGQORJ-OALUTQOASA-N 436.626 2.431 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1519436180 NTWGGPHHGHXFME-YDHSSHFGSA-N 438.532 2.279 30 10 IEEE Cc1c(C#N)c(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)nn1C 1530306556 MRXUJQRZMPHTHR-UHFFFAOYSA-N 430.262 2.378 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1533478017 BAIZLZYSSQUAKO-HZPDHXFCSA-N 442.965 2.250 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)O3)C2=O)cc1 1534326310 SMGHXZQLMIHUAF-ARFHVFGLSA-N 438.406 2.379 30 10 IEEE C#CC[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1537399858 PMHQMHYPGUAJHU-VBKZILBWSA-N 432.318 2.478 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1539223181 ZKCMMNRVSHSYSD-HUUCEWRRSA-N 443.367 2.055 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nccn2C(F)F)CC1 1539453393 JNKXTRULSOCKIQ-UHFFFAOYSA-N 429.450 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CCC(OC)CC2)CC1 1539481392 MJDQCWBBKHLAON-VEDCXYSMSA-N 443.592 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)c2nccs2)CC1 1539482531 URWNVWHDJOAYHW-DOTOQJQBSA-N 428.562 2.008 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1539497536 KQINFHIHWSNMST-GOSISDBHSA-N 429.546 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1occc1C 1539562723 BTDUQOFKQUADDS-HSZRJFAPSA-N 438.532 2.114 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539574484 LLAGVPQRWLKQIG-WCQYABFASA-N 425.331 2.173 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1539669084 KVGCXSCJICYANN-JKSUJKDBSA-N 447.552 2.449 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1539787091 HXXBRDVVMBPKSG-UHFFFAOYSA-N 449.939 2.400 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539977307 MFWHGTVEJUEUCL-SFHVURJKSA-N 426.521 2.065 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCn2nc(C)nc2C1 1539985026 CTYPQMFHDNUJMR-UHFFFAOYSA-N 427.534 2.235 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540042545 PLNXKNDJPRYXLA-QGZVFWFLSA-N 431.468 2.230 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540864933 PIVIHUXOCGOKCD-CJNGLKHVSA-N 439.438 2.412 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1552740966 UCAWAJQCPIVQNL-IRJFHVNHSA-N 439.539 2.165 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1555454549 BHZBALKHIXMPQO-TZIWHRDSSA-N 441.532 2.397 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CC1 1556585795 FHQFBDVJAAFJKH-UHFFFAOYSA-N 430.461 2.382 30 10 IEEE Cc1cc2c(N3CC(NC(=O)COc4cccc(Br)c4C#N)C3)nccn2n1 1558822251 WRWCWBSNUIUGDR-UHFFFAOYSA-N 441.289 2.056 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 1564957943 LMEVPWDTGMALQY-ZOBUZTSGSA-N 427.339 2.499 30 10 IEEE C[C@@]1(C2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)COC(=O)N1 1565005176 MKJKAQNFBCFSGQ-QHCPKHFHSA-N 425.533 2.443 30 10 IEEE C#CC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1569857822 WBUVUHUIQDRZFF-CQSZACIVSA-N 437.315 2.364 30 10 IEEE COCCOC1(CNC(=O)COc2cccc(Br)c2C#N)CCOCC1 1583116775 WZBZEPSFIPRPOW-UHFFFAOYSA-N 427.295 2.028 30 10 IEEE C[C@H](CC(=O)N1CCOC[C@H]1c1cccc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1584634527 ZGSGPTKOWLMARV-KDOFPFPSSA-N 431.489 2.243 30 10 IEEE CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1585105069 QFEWNWPWDUHISR-YDJIHCHBSA-N 425.485 2.371 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1CCOC1 1587567696 IXUAAKUEKVXEFY-NVXWUHKLSA-N 430.578 2.431 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCO[C@H]1C 1588011938 PDOUHMXEYAHLRF-IFXJQAMLSA-N 435.322 2.229 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1588015986 HYVYWVBHICHKES-JOCHJYFZSA-N 445.564 2.274 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)C(F)(F)F)c1 1588106165 NZTRDCHRDNWHDW-DOTOQJQBSA-N 436.365 2.091 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC)C(=O)C1 1589037068 USIPWPWQYUFXKN-UHFFFAOYSA-N 427.530 2.099 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1595411280 DFRBLRWYWRBHQW-UHFFFAOYSA-N 445.474 2.185 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)c1 1598382321 WHKLFRNXFKWZKU-HNNXBMFYSA-N 432.523 2.356 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOCC(F)F)CCOC1 1610449288 YHOPKHGTFSYULP-OALUTQOASA-N 431.459 2.432 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1615508051 DXOCSPCVTVEJRJ-UHFFFAOYSA-N 444.499 2.486 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1618436837 HFNXKAPCQBHKKN-KRWDZBQOSA-N 432.329 2.390 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1619399503 DVGYZTMTEIVZMN-MRXNPFEDSA-N 445.545 2.040 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2cc(Br)cc(C)c2C1)c1cc[nH]n1 1624035535 WHQNZDLDQGRGOJ-UHFFFAOYSA-N 449.305 2.349 30 10 IEEE N#C[C@H](CO)NC(=O)c1ccccc1NC(=O)c1ccccc1I 1624090662 KDVSUHQMIOQPQE-LLVKDONJSA-N 435.221 2.158 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(C(=O)C3CC3)C2)cc1[N+](=O)[O-] 1626792193 JAXXCQAZJPRBGD-UHFFFAOYSA-N 438.444 2.032 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N2CCC[C@H](CC#N)C2)c(=O)n(-c2ccccc2)n1C 1629174355 DQGHTMREJXDQFZ-QGZVFWFLSA-N 441.557 2.308 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)s1 1634441478 SFTQEVAWPSWGND-GOSISDBHSA-N 430.498 2.057 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)NCC3(C#N)CC3)c2)nn1 1634805756 FILMKOGCZSJLOV-UHFFFAOYSA-N 425.493 2.395 30 10 IEEE COC(=O)[C@H](CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1635518832 JPCLKPWSXABAJR-MAUKXSAKSA-N 449.573 2.380 30 10 IEEE COC(=O)c1cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1N1CCCCC1 1638347989 PUCAMYLECLNSRB-MRCUWXFGSA-N 426.473 2.319 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)s1 1641931689 UGFUNTBTJMUGKQ-QGZVFWFLSA-N 431.583 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1643808471 CKQBVBXAEGQBSZ-GOSISDBHSA-N 432.496 2.372 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](Cn3ccnn3)C2)n(-c2ccc(F)cc2)c1C 1643892423 JUQMUPVUSSKDFE-LJQANCHMSA-N 437.479 2.036 30 10 IEEE CCN(C(=O)Cc1noc(C)c1C#N)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1645518511 WCTVQBRMLYXMQX-HNNXBMFYSA-N 447.536 2.104 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](CO)[C@@H](C)O)c1 1648842539 PQAWBPDSRYZOAI-RDTXWAMCSA-N 438.933 2.193 30 10 IEEE C=CCCn1cc(C(=O)N2CCN([C@@](C)(CO)c3ccc(Br)cc3)CC2)nn1 1653254565 OHKFLRBOQDDKMB-FQEVSTJZSA-N 448.365 2.282 30 10 IEEE C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654689306 RZFRZUYQIXNQBS-VGOFRKELSA-N 449.573 2.432 30 10 IEEE C[C@@](CO)(Cc1ccccc1F)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1656292870 GEFNAISAKFJARA-KNQAVFIVSA-N 430.549 2.179 30 10 IEEE C=CCN(C[C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1658452804 JNAFKPHCOVWCIP-PKOBYXMFSA-N 440.610 2.087 30 10 IEEE COC(=O)[C@@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1660342550 HXYYUIFYKZGFKN-ZWKOTPCHSA-N 443.500 2.114 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OCC 1662024334 SGNSSMGJHAAISU-AWEZNQCLSA-N 448.335 2.341 30 10 IEEE NC(=O)[C@H]1CN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H]1C(N)=O 1662958752 HMVQGALDUUDFHR-UWVGGRQHSA-N 444.307 2.027 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](O)c3cc(F)c(F)c(F)c3)C2=O)cc1 1682226619 NJPMDXHCAZUPSJ-MSOLQXFVSA-N 432.402 2.109 30 10 IEEE N#Cc1c(CCCNC(=O)NC[C@@H]2CC3(CCOCC3)CO2)nn(-c2ccccc2)c1N 1683498475 KLLQBDIEQDFCNI-SFHVURJKSA-N 438.532 2.144 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)N3CCN(c4ccsc4C#N)CC3)cc2)CC1 1684840125 OVZVVWDLBBHYQG-UHFFFAOYSA-N 438.601 2.446 30 10 IEEE C#C[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1)C(C)C 1686675221 GZDMRVKEVIXENN-HUUCEWRRSA-N 425.270 2.132 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689980097 LOVCOQKYFKOCOK-IEBWSBKVSA-N 432.594 2.404 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(C)=O 1690072577 MGLYKVMMVUNMEI-UHFFFAOYSA-N 435.532 2.222 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)n1 1690109030 DIGARZIGDOXSJU-UHFFFAOYSA-N 445.527 2.214 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCO[C@H](C)C2)n1 1690109099 GVYMNRJICJLLAW-SVFBPWRDSA-N 442.564 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1690205957 CSWIZEYMYHICAJ-NNMXDRDESA-N 433.622 2.294 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1690255529 RZZIRPVAEBPZJC-IAGOWNOFSA-N 425.599 2.029 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690299496 ULCHSKMCQRIDKB-GOSISDBHSA-N 446.596 2.238 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1)C1CC1 1690540104 ZTYROXHEIQEQES-UHFFFAOYSA-N 445.589 2.226 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1)C1CC1 1690545612 VIVZEEFTAYFLIK-HXUWFJFHSA-N 445.589 2.317 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1690578407 WTNMJTSXRPEXJA-ZDUSSCGKSA-N 442.467 2.162 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@]1(OC(C)C)CCOC1 1690677489 YACXLGKDUMIENN-QHCPKHFHSA-N 438.532 2.129 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCN(C)C2)C1 1690687724 IDGWGYCTTJWZHE-XMSQKQJNSA-N 449.502 2.394 30 10 IEEE Cc1ccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1693156222 DHJAFLKWCJPVMC-OXQOHEQNSA-N 433.509 2.010 30 10 IEEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1693249983 RDOSAJIOTLCBTG-IEBWSBKVSA-N 446.502 2.338 30 10 IEEE CC[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694902415 FACZAWWSHJCLEG-FZFLATATSA-N 441.561 2.397 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C1 1696940929 BBDRALOCBYYZEW-OAQYLSRUSA-N 449.559 2.038 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cnnn1 1705485480 JZWRKRNJDPPXDO-CYBMUJFWSA-N 445.325 2.251 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)OC)CC1 1705532255 JTWSEADTQHPHLZ-UHFFFAOYSA-N 437.548 2.255 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1705714042 BXEXRUNECLFHPX-MRXNPFEDSA-N 426.521 2.256 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705734617 VQMQJYIPLLPXPY-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCN(CC)CC2)CC1 1705779458 KGQXQEHUYRAUCA-UHFFFAOYSA-N 426.613 2.499 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705903623 YWRNLWBYNMVCAB-WOJBJXKFSA-N 436.516 2.271 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@H]1CCSC1 1711045531 DSBNNSNRHKQHMX-HKUYNNGSSA-N 429.546 2.476 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1cccs1 1712639241 CSVDQGQFGJUUCR-QHERXFFYSA-N 435.525 2.413 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNS(C)(=O)=O 1722281271 UIBIWZBMBJIJAI-MRXNPFEDSA-N 440.573 2.360 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1722327087 VVHIOQGULRBJQL-MRXNPFEDSA-N 441.532 2.476 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1OC 1722394232 PWJMBAKEACKRRI-GHTZIAJQSA-N 444.539 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722395692 AIYVWRRIEDSLNB-UNMCSNQZSA-N 447.539 2.411 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1722439443 CBKGMFWTDDDTMW-QHCPKHFHSA-N 429.572 2.322 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1722468494 PPUMZIVTYWOTEP-KSFYIVLOSA-N 444.557 2.389 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722481804 AYACMMAVZUOKDV-HUUCEWRRSA-N 447.399 2.484 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC 1722738752 ORFIXGPNRYYORH-IKGGRYGDSA-N 443.639 2.155 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3CCCOC(C)C)CC2)c1C#N 1725866710 DEQAKGCJVNVYIH-UHFFFAOYSA-N 449.563 2.395 30 10 IEEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCO1 1726476832 DJUUVOAIJMHUTG-HHXXYDBFSA-N 429.546 2.255 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1726749459 IFLAJASKGPCZNZ-GOSISDBHSA-N 438.532 2.356 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2(C)C)CCO1 1729681704 LKDSVOAGQROQHR-QZTJIDSGSA-N 440.573 2.300 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1731091361 AHYDWHHQXDBXRY-AVRDEDQJSA-N 442.589 2.127 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)SC)c1 1740563571 UKKCHWHKUCUMDF-HNNXBMFYSA-N 428.562 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccccc1Cl 1740629670 VUBQJNUBIMHEQH-JOCHJYFZSA-N 425.920 2.148 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NC2CCCCC2)CC1 1740696840 IBBRLFNAXJWFSE-UHFFFAOYSA-N 434.588 2.381 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)CC1 1740764764 YMEOERWGWLKZOA-WIYYLYMNSA-N 430.574 2.450 30 10 IEEE C=CCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1740881843 RTDHRSBVHMBPAY-QHCPKHFHSA-N 443.596 2.342 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1C 1740939305 UVQKUQIQCBXJJQ-HKUYNNGSSA-N 438.536 2.232 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CCO)Cc1ccc(Br)s1 1740986846 JFFAQSLHCXCWRK-UHFFFAOYSA-N 449.396 2.010 30 10 IEEE C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC12CCC2 1741920603 HOOWOOYXRBVACF-LSDHHAIUSA-N 432.550 2.418 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC(C)C)CC1 1748640433 VBZIWJMWBXHHQW-QZTJIDSGSA-N 438.642 2.104 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(CC(C)C)c1C 1748779345 GWEIUGKFSLKUIZ-UHFFFAOYSA-N 430.520 2.199 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1748820450 BWDXSZZGPFZWIF-IBGZPJMESA-N 430.578 2.123 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1748905490 FTAVEVUHERSKON-UHFFFAOYSA-N 449.906 2.324 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCOc1cccc(C(F)(F)F)n1 1748958670 FKAFWHZRGDEMLO-UHFFFAOYSA-N 447.421 2.314 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1748978828 PMZAPCWWYVBJOP-ZEQRLZLVSA-N 445.608 2.017 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1 1748979731 KIQFRXZBOCQCAO-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(Cl)cn2)CC1 1748994295 XWRVDDLJIGTDED-UHFFFAOYSA-N 437.935 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749727199 PRSOPZURWCCBPE-GOSISDBHSA-N 446.573 2.320 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCn1cc([C@H]2CCOC2)cn1 1750113511 QEGAIINFHSXJBJ-LXZJYRNTSA-N 443.552 2.141 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1751016321 AGFRGNXJDLVIEV-XXBNENTESA-N 446.596 2.169 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1760172474 RHSNOMMEKCTXFH-SFHVURJKSA-N 434.585 2.040 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(CS(C)(=O)=O)c1 1760177726 XOHAYWRTTRBZQF-UHFFFAOYSA-N 429.571 2.296 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760192901 PLESMOHZBBKJOC-HSALFYBXSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1760203984 YAGMJGDKFSMMON-MRXNPFEDSA-N 432.496 2.045 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@@H]1C 1760217366 ZMKXRVQLKQEKCX-DVECYGJZSA-N 430.512 2.134 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1Cl)N(C)C 1760249232 XPUMWUAPMOUUMO-MOPGFXCFSA-N 444.967 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@](C)(O)c2ccccc2Cl)CC1 1760269633 AHSVHEGQRDXTRQ-QFIPXVFZSA-N 429.952 2.367 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](C)C1 1760315695 HZANDIBBROEJPG-SFFUCWETSA-N 425.599 2.352 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1760566432 UADQGXRHNUTIJN-CRAIPNDOSA-N 429.546 2.412 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1761360488 NVIKHMXMUSEERA-OAHLLOKOSA-N 441.561 2.046 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1763762732 FLDYDZJDDAXUFT-BXKMTCNYSA-N 449.559 2.086 30 10 IEEE CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cn1 1764938058 CINFLZOPYPMOQS-FUHWJXTLSA-N 445.593 2.066 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1764998693 WULDIQNDBSKOGC-NTKDMRAZSA-N 435.576 2.463 30 10 IEEE CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1765855955 ANOMGNOMZMGIBD-PNLZDCPESA-N 428.537 2.362 30 10 IEEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1767317679 XDZGGIRLBCCZPK-UHFFFAOYSA-N 439.608 2.442 30 10 IEEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C1CCCCC1 1767360461 BONASWGWGHXSRD-GOSISDBHSA-N 434.610 2.185 30 10 IEEE CO[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1769658205 DZCKTJAKQFBIIA-RBUKOAKNSA-N 425.537 2.046 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)c1 1849850131 HLXBQKWOLHWPST-NRFANRHFSA-N 442.516 2.199 30 10 IEEE C=CCN(C(=O)c1nnn(-c2cc(Cl)c(OC)cc2OC)c1C)[C@H]1CCN(C)C1=O 1850855910 FTVPEMGYEIMGSZ-AWEZNQCLSA-N 433.896 2.105 30 10 IEEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1852776643 KAUOVDIDTVVCQB-IBGZPJMESA-N 446.960 2.021 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 1852841098 LZWNNTRULCSWIJ-ZDUSSCGKSA-N 430.983 2.219 30 10 IEEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cc(-c4ccc(F)cc4)ns3)C(=O)C2)C1 1855018448 AYMFFZMSWJPDOD-KRWDZBQOSA-N 427.505 2.222 30 10 IEEE CN(C)C(=O)C1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1856560190 NVBRRQQJJHQYGU-INIZCTEOSA-N 430.936 2.195 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC2(c3ccc4c(c3)OCCO4)CC2)CC1 1858495307 PKNOXYQBKFJBFW-UHFFFAOYSA-N 439.537 2.368 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1 1858979563 KHYNZLSATCCSPO-UHFFFAOYSA-N 426.498 2.314 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@H](COC(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1860081722 NZUFXBQPFSUABI-KRWDZBQOSA-N 431.448 2.250 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(O)nn3)sc2c1 1866108476 QQJYYFGWYMWQAF-UHFFFAOYSA-N 431.499 2.407 30 10 IEEE COc1cccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3cccc(C#N)c3)c(C)o2)c1 1866673068 AMUDFLGEKMKQDR-HXUWFJFHSA-N 434.452 2.189 30 10 IEEE CC[C@@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868795546 LZXKFTFNCCPNSA-XMSQKQJNSA-N 432.590 2.293 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(OC)cc3C)CC2=O)cc1 1870159039 BYSVWYAISKEMGP-OAHLLOKOSA-N 446.467 2.456 30 10 IEEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870529794 RSLQPLVROWCHEP-UHFFFAOYSA-N 428.508 2.011 30 10 IEEE C#CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871007076 KYHNLLREMOXVBW-UHFFFAOYSA-N 446.555 2.190 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cccc(OC)c2)cc1=O 1871009041 AIJUIIXMDVQVJU-UHFFFAOYSA-N 427.482 2.176 30 10 IEEE C=CCNC(=O)[C@@H](CSCc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872597375 QPIJHYCRDLQAGG-GOSISDBHSA-N 435.527 2.477 30 10 IEEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCC(N)=O)nnc1-c1cccs1 1874421697 ZMWRSJFQHUAXTK-AWQFTUOYSA-N 433.515 2.492 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1908262383 MKDWUDVBXYXZKY-DFQSSKMNSA-N 428.533 2.247 30 10 IEEE Cn1ncc(C#N)c1NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2010469354 XJFOPFJKLUOGIR-INIZCTEOSA-N 427.461 2.257 30 10 IEEE C[C@@H](C#N)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 2010517800 YDSITHUYBJQKCZ-IBGZPJMESA-N 429.565 2.070 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2098189776 ZOLGNNNJEBPQLU-NSHDSACASA-N 434.165 2.430 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2123517060 BVLYPZOFPQYPOJ-HZPDHXFCSA-N 425.323 2.385 30 10 IEEE C#CCn1ncc(N[C@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162329764 LMLRXZPTXCHRKJ-QWHCGFSZSA-N 441.326 2.123 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#N)c(C#N)c1 2164499874 YBOMIOCFGPOAFZ-HXUWFJFHSA-N 426.429 2.196 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2244016342 XLMFUDPENJXABW-HOTGVXAUSA-N 427.542 2.027 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405480 RIRFBGIZQBMXCP-UHFFFAOYSA-N 440.375 2.139 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255628148 DLUYFEGDVNPLIS-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255695110 BIECDAICQCBMBP-UHFFFAOYSA-N 431.342 2.462 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2255874034 QIGPBAAPUCTGPW-JKSUJKDBSA-N 431.342 2.158 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256664436 CKNQGGIBUCIZCK-AWEZNQCLSA-N 449.382 2.365 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256681070 GROVQEITOPTBSJ-CYBMUJFWSA-N 438.305 2.197 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256717959 MLCPMKHLYXFYEH-KSFYIVLOSA-N 434.342 2.154 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2256916171 AFWLSOCZVVIQCR-RDTXWAMCSA-N 429.278 2.367 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2267245605 BKAZYAOZZHPTTK-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE Cn1nc(C(=O)N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267547628 MTBHCSXIRNQTTH-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268645097 STTOSIIBTXANIK-RLFYNMQTSA-N 448.369 2.437 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc3c(c2)OCCO3)CC1=O 2327902038 BMBCFLNNUBXAPJ-HNNXBMFYSA-N 445.545 2.130 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1C(=O)O 2331273426 GBLBZUIYSCFDQK-UHFFFAOYSA-N 443.485 2.049 30 10 IEEE C=CC[C@@]12C=C(OC)C(=O)C(OC)(OC)[C@@H]1[C@H]1C(C=CC)=C[C@@]2(OC)C(=O)C1(OC)OC 2333289836 JSAXPXNTZVWWDV-MCEIDBOGSA-N 448.512 2.357 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CCC1 2337194075 ZMYOKHQBCDSXNG-UHFFFAOYSA-N 448.373 2.192 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203406 XNKWFNRUZNRDOR-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC(C)(C#C[C@@]1(OCC(=O)O)CCCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2365240272 CZXVXANQBPAZTH-NRFANRHFSA-N 437.514 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2cccc(Br)c2C#N)C1 2379813631 MNSGFKIEEWAYDC-MRXNPFEDSA-N 435.322 2.492 30 10 IEEE C=CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 13795198 VGWBDBRTKYXKMD-YSGBTYPNSA-N 439.559 2.147 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)c2C)nn1 23572862 ZDACIQDKKQHVLJ-GOSISDBHSA-N 432.440 2.203 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(NS(C)(=O)=O)c3)cc2C1=O 29924574 QNHZGMZLERQRLX-UHFFFAOYSA-N 429.454 2.101 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@@H]2c2ccc(F)cc2)cc1 102436583 GXAHLTACYSKRLY-SADKCHQCSA-N 439.487 2.161 30 10 IEEE COc1cc(Br)cc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O 169905595 ZCZRNIJKODVQIC-LZYBPNLTSA-N 430.236 2.384 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CSc1nnc(-c2ccc(F)cc2)o1 465118606 FODDUEGYJPEDFR-CYBMUJFWSA-N 439.476 2.367 30 10 IEEE CCO[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C12CCCC2 466435075 WCXLNTXSMRPMNO-UXHICEINSA-N 446.573 2.312 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCO1 478748698 SZVWOKUXVYYGNK-INIZCTEOSA-N 441.553 2.001 30 10 IEEE COc1cnccc1N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 481470746 YQZQIGVXINFOAZ-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE COCCCn1cc(C(=O)c2cc(OC)ccc2OCc2ccn(C)n2)cc(C#N)c1=O 483919952 VJZKNQILCYDWPF-UHFFFAOYSA-N 436.468 2.309 30 10 IEEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 508480987 MGDKQBTUBJTFBU-UHFFFAOYSA-N 427.484 2.430 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)nc1 511300650 MSSDIRPLSNEOPH-UHFFFAOYSA-N 434.500 2.393 30 10 IEEE Cn1ccnc1CN1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 518504231 LWGVAZRLGDWRAB-UHFFFAOYSA-N 449.515 2.101 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCCCCC3)cc2)CC1 522319931 XERHBMBJEBCCPT-UHFFFAOYSA-N 427.593 2.192 30 10 IEEE CCCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cc(OC)cc(C)n2)c1=O 540695326 KIRZJYXCPZFLOL-UHFFFAOYSA-N 448.548 2.482 30 10 IEEE C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 541791643 KWMLBAGSIOMHBA-SJORKVTESA-N 443.329 2.492 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 582522289 OKQBMEAIBHOEQY-MGPUTAFESA-N 437.479 2.357 30 10 IEEE COc1cccc(C[C@@H](C(=O)N(C)CCOCc2ccc(C#N)cc2)n2nnnc2C)c1 589112396 FROSYLVFKQGKRW-QFIPXVFZSA-N 434.500 2.321 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C#N 732562472 BPCRHAGKFOESIK-UHFFFAOYSA-N 445.548 2.495 30 10 IEEE C[C@@H](NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc2c(c1)CCCC2 741339707 IDPSLAZFWIFNRE-MTLKIYMJSA-N 425.485 2.202 30 10 IEEE CCO[C@@H](C)c1nc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cs1 742421922 RRWRDRCRDSJFRS-AWEZNQCLSA-N 435.575 2.082 30 10 IEEE CCCCN(C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@@H]1CCS(=O)(=O)C1 742594032 IEUIFNLNUNTLDL-MRXNPFEDSA-N 447.513 2.223 30 10 IEEE C=CC[C@H](CO)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 757986546 OLFOKCVEBKIVDF-GFCCVEGCSA-N 425.507 2.498 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(C)(C)[C@H]2CCCCO2)C1=O 758648036 ZWPOJRJGMALJJO-DLBZAZTESA-N 446.573 2.448 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)C1 758770841 MNSMIRZVYPFLOM-BZSNNMDCSA-N 427.505 2.018 30 10 IEEE CCOc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)cc1 760401488 XQWMDCCFRUERQJ-INIZCTEOSA-N 433.530 2.358 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 763597162 VVGISSGRHQCYMP-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(-c3cccnc3)c2)c1=O 768505580 YGCYPIAATAVUOX-UHFFFAOYSA-N 445.544 2.490 30 10 IEEE CCc1cccc(CC)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769213572 QJHWJDQSNBQGTI-UHFFFAOYSA-N 429.498 2.143 30 10 IEEE C#CCN1CCC(C(=O)Nc2nc(CN3CCN(c4nccs4)CC3)cs2)CC1 772290744 QJONAXJEZRBKBH-UHFFFAOYSA-N 430.603 2.206 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)c2C)nn1 774232858 ZCLHSDTWCZKZQI-UHFFFAOYSA-N 428.449 2.039 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)n1 780254360 JHVMOHWKRZOQHC-IERDGZPVSA-N 443.481 2.257 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 781648330 FGRIMJBWVFYKIE-OAHLLOKOSA-N 429.567 2.116 30 10 IEEE C#CCC1(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CCCCC1 788244579 NAEKVFIPWZYUGW-HXUWFJFHSA-N 425.577 2.342 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)n(Cc2ccco2)c1C 800260743 MGJGHIOTORAEOF-HVSJVZIESA-N 445.475 2.427 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1cnnn1C 807929029 FWWMWFBWBAKMHS-MRXNPFEDSA-N 436.501 2.074 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccc(C#N)c(OC)c2)C1=O 809944523 YDWXGDWOMNLZPC-JEOADQEBSA-N 437.525 2.141 30 10 IEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO1)[C@@H]1CCc2ccccc21 812303514 ALVCXHHMQUFHSM-SFHLNBCPSA-N 440.569 2.486 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCCC[C@H]1OC 815926420 OIRDOVVGJJTXFI-SJLPKXTDSA-N 427.457 2.115 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)C1 919076685 CDJXKALNCZVXQM-QZTJIDSGSA-N 441.528 2.366 30 10 IEEE Cn1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(=O)n(C)c1=O 920804405 QIRUMHJEZPAZLQ-SYTKJHMZSA-N 428.420 2.375 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)c1O 1084430015 BKFAIXDHGSMGHC-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(Br)cn3)C2=O)cc1 1132630425 FXOVQGVISWNUBE-MRXNPFEDSA-N 442.273 2.237 30 10 IEEE CN(c1ccc(OCC(=O)N2CCO[C@](C)(C#N)C2)cc1)S(=O)(=O)c1cccs1 1134489490 BPYHUEJKUYUTHV-LJQANCHMSA-N 435.527 2.093 30 10 IEEE N#Cc1c(CCCNC(=O)c2ccc(Cc3nc[nH]n3)cc2)nn(-c2ccccc2)c1N 1136183226 VPZCEPFPIHBSQS-UHFFFAOYSA-N 426.484 2.398 30 10 IEEE C=CC[C@H](CO)CNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1137919752 VAKXGUWRRDLOMF-INIZCTEOSA-N 446.979 2.341 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1140471544 KJURIBUERYUULW-IBGZPJMESA-N 437.537 2.342 30 10 IEEE CC(C)c1ncc(OCc2ccccc2)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 1144429369 SSFPAIQUNATJPJ-QOCHGBHMSA-N 435.484 2.435 30 10 IEEE C=CC[C@]1(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1148803381 ZHRTXBZJKBIONQ-HXUWFJFHSA-N 441.525 2.435 30 10 IEEE Cc1c(Cl)cccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1158817984 KUVCHFLDPYVDRK-UHFFFAOYSA-N 432.933 2.147 30 10 IEEE N#Cc1sccc1N1CCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 1196082997 GFXRQZOFCKJFBT-UHFFFAOYSA-N 443.617 2.429 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1196525384 GMOIRRXAUBDDQN-HNNXBMFYSA-N 433.472 2.072 30 10 IEEE CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1198336958 NTNQFIQXHSRNMZ-DKICVRJWSA-N 437.518 2.398 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CC[C@]2(CN(Cc3ccccc3)C(=O)CO2)C1 1221992707 DGPJBPJFODOGCD-RUZDIDTESA-N 433.508 2.412 30 10 IEEE C#C[C@H](NC(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1)C1CCOCC1 1226339527 FDIVMXRHWGFICD-QHCPKHFHSA-N 429.561 2.404 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cs1)C(N)=O 1265116209 VKFYFYKJPOXQPQ-QZTJIDSGSA-N 443.598 2.278 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 1278478128 OZNOPGOGHIYODT-UHFFFAOYSA-N 434.558 2.207 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCCN2CCN(CC)CC2)c1 1286308021 DIDUNDNEJLFGRZ-UHFFFAOYSA-N 437.592 2.060 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286347232 ITKFFYGHAWWWNF-IBGZPJMESA-N 426.565 2.308 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NCC 1286433508 GLQFLEDWCWLTLH-UHFFFAOYSA-N 432.528 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2(COC)CCC2)CC1 1286492183 DLSJIBGQBSYUHB-HXUWFJFHSA-N 443.592 2.345 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286496231 BNPAFUPFZFCLTK-LAUBAEHRSA-N 438.594 2.143 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286684396 IULTYKCQPZWDSP-IAGOWNOFSA-N 428.489 2.390 30 10 IEEE C=CCCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1286704931 KBQAZLGQMBYLKH-VXKWHMMOSA-N 430.553 2.382 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1286762866 OIHGBUQIWRMENL-UHFFFAOYSA-N 446.555 2.358 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286785956 VJEHCESQUJTMRC-UHFFFAOYSA-N 448.527 2.391 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1286811441 BODTWBXTESWYGZ-NZQKXSOJSA-N 439.516 2.316 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1287787525 CPIDGDUCUYQYCS-RTWAWAEBSA-N 442.539 2.094 30 10 IEEE O=C1C=COC2(CCN(C(=O)c3ccc4ncc(I)n4c3)CC2)C1 1289361598 ISZNDXXNEAHWFK-UHFFFAOYSA-N 437.237 2.417 30 10 IEEE N#Cc1cccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1Br 1292374147 LZHYZGJXVHKQHW-UHFFFAOYSA-N 442.317 2.184 30 10 IEEE CCCN1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1294670876 UHAZNIOKOILNAJ-NFBKMPQASA-N 446.596 2.169 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccccc2Cl)n1Cc1ccc(C#N)o1 1298742720 LCEYSPMURXWSJX-UHFFFAOYSA-N 434.909 2.097 30 10 IEEE N#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 1299564174 OMBCVIHLPKIJTQ-UHFFFAOYSA-N 435.527 2.156 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(COC)n2)CC1 1301124055 FQERZIUHONANNK-OAHLLOKOSA-N 437.591 2.234 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1301185405 CHYXPHILKQZDFT-OAHLLOKOSA-N 442.486 2.480 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1301294442 QCXOGKMYAWAKBX-RHSMWYFYSA-N 439.532 2.384 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1301297453 QDJXIVZOUFAXKE-GOSISDBHSA-N 426.546 2.096 30 10 IEEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CCN1CCN(C(C)=O)CC1 1301308218 BBJTWNADOAGDQE-UHFFFAOYSA-N 426.565 2.206 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1301586578 UNNNAUJUHYDWJC-FQEVSTJZSA-N 446.573 2.431 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1302432937 ANLAAHOUOGKZSR-SJORKVTESA-N 444.511 2.448 30 10 IEEE Cc1cc2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)[C@H](C)CC#N)ccc2[nH]1 1304257754 CVZYKHFFGOWQDL-HUUCEWRRSA-N 429.550 2.465 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1306539235 AUPAHGXXHXXIFH-XMMPIXPASA-N 446.559 2.408 30 10 IEEE Cn1cc([C@@H]2[C@@H](CNC(=O)N3CCC4(CC3)CC(=O)C=CO4)CC(=O)N2C(C)(C)C)cn1 1313011076 PDPQJIHLPMTGIT-UZLBHIALSA-N 443.548 2.156 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1358961585 BOUUVXZOAKBNIP-QGZVFWFLSA-N 433.603 2.418 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOC2=O)cc1 1359014932 CAVOIQXNMHGUDA-ICSRJNTNSA-N 439.516 2.467 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1COCCO1 1359016147 REERYNCCTQOSNU-REWPJTCUSA-N 444.507 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCCCCC2)CC1 1359043083 GNBAPMSCZJLQSM-UHFFFAOYSA-N 437.592 2.125 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1359120969 OLBVDHHWPCKGFD-GOSISDBHSA-N 447.561 2.114 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1359132965 IPPDPTMKOWHSRY-ZWKOTPCHSA-N 426.583 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359297410 PKNVPPBSLWMRMD-HKARXFIJSA-N 441.532 2.029 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359305308 ZSKOAJJHFJZNEI-LJQANCHMSA-N 449.559 2.270 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1359343274 PRSVSZVYURQDOH-GOSISDBHSA-N 444.561 2.171 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1359473369 ASZBSAWQFARMGG-QGZVFWFLSA-N 434.552 2.024 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CCOC1 1360348615 YXAQJVYBIJKIAL-DZCCDHAISA-N 447.580 2.499 30 10 IEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OCC 1438910358 YKBLSOPLKSLJRQ-QGZVFWFLSA-N 444.500 2.380 30 10 IEEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1449232149 WEYFLBZMMWOVBG-IRXDYDNUSA-N 433.553 2.135 30 10 IEEE CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1450293509 IOYXAUQBFAICBP-UHFFFAOYSA-N 443.500 2.386 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1452947780 NNHLZVFKXAOECK-HXUWFJFHSA-N 445.541 2.403 30 10 IEEE CN1C(=O)CO[C@H](C(=O)OCc2cc(Br)cc(C#N)c2)[C@H]1c1cccnc1 1459673869 AUNGCKDWRAVZOT-MSOLQXFVSA-N 430.258 2.357 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCNC2=O)c1 1470482346 AWKJBVQZNVHYBT-SFHVURJKSA-N 433.917 2.340 30 10 IEEE N#C[C@]12CN(C(=O)NCc3cc(Cl)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1470538361 CDCWYMFOJYMASW-XHDPSFHLSA-N 432.727 2.182 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1COCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1473641538 SPJFGZRJMUSABU-KRWDZBQOSA-N 426.435 2.216 30 10 IEEE Cc1c(S(=O)(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)sc2ccc(C#N)cc12 1475137143 FGYHGFDBPNWZJH-RDTXWAMCSA-N 440.568 2.096 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OC 1475687040 AYOYZLREKSFJGL-CQSZACIVSA-N 448.335 2.341 30 10 IEEE CCn1cc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)cn1 1502217299 BCKZKNNVSWKRMT-FQEVSTJZSA-N 448.531 2.089 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCO[C@H]1CCOC1 1507605309 PFKATDUZGGQCOD-SFHVURJKSA-N 431.924 2.127 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(SC)CCOCC1 1507610977 KNQYMKOBTOKJNH-UHFFFAOYSA-N 441.605 2.434 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507622085 FPHRXHKDTDKDLV-ZHALLVOQSA-N 449.621 2.259 30 10 IEEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507886188 XYGDHAQXCOAVEJ-UHFFFAOYSA-N 434.537 2.104 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(N)=O)CC1 1508105867 UANHZKBEGQYCAC-IBGZPJMESA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C1 1508123602 CYWGSRAFOKJLQD-OAQYLSRUSA-N 439.608 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1508142736 BDTJIWLHCKQZEW-UHFFFAOYSA-N 432.594 2.432 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508168602 XOJKSPJJCZCZEK-MOPGFXCFSA-N 432.594 2.443 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)n[nH]1 1511559381 DYBUSTHFHCKTOL-KRWDZBQOSA-N 448.304 2.157 30 10 IEEE C[C@@H]1CN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1512522785 GOGQEIARZCCDNN-XMSQKQJNSA-N 427.528 2.207 30 10 IEEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)cn1 1515525470 CWSOSNFSOOWXBT-UHFFFAOYSA-N 430.516 2.042 30 10 IEEE CC(C)(C)OC(=O)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1529669313 SCMYUHMZNVTOSP-QGZVFWFLSA-N 427.501 2.166 30 10 IEEE N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)c2)cc1 1530253388 NXHARSXSCNLXOH-QFIPXVFZSA-N 426.494 2.167 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1534035125 KKVYXRYCCSBTHE-IYARVYRRSA-N 440.569 2.464 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C(C)C)C(C)C 1539155595 XPEZIUYEIUBRDR-UHFFFAOYSA-N 446.621 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC(=O)NCCc1ccccc1 1539315617 PPTPKOXKUVQHCV-UHFFFAOYSA-N 426.524 2.470 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1539505003 SWUQJHDSTDAFMF-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1539641202 DFZMZHMOYHXHFX-NSHGMRRFSA-N 428.537 2.120 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1539744840 YKBOCXHMXHEAIL-HKUYNNGSSA-N 446.596 2.199 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)cc2)nc1 1539942219 NQQQMIKQYAVJFW-UHFFFAOYSA-N 427.482 2.165 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1541989093 GMALVJGWUNCMQB-NRFANRHFSA-N 437.529 2.317 30 10 IEEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c1 1542825995 HCEQXRLFXVKPLQ-LJQANCHMSA-N 439.545 2.035 30 10 IEEE CCCNC(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C#N)C1 1547245601 AJCPHJVOTYCPOT-GOSISDBHSA-N 426.521 2.065 30 10 IEEE Cc1ncoc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369666 ZXWJKKHSUXHCQY-KRWDZBQOSA-N 447.417 2.483 30 10 IEEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1554690217 KGGNGLRGIHSFHD-FOIQADDNSA-N 433.534 2.089 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(NC(N)=O)cc1 1555726949 APEXREMQLXOEMF-HFTRVMKXSA-N 427.509 2.137 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)C(=O)OC 1556376038 ZWJJOIQDVYPXBK-CYBMUJFWSA-N 428.308 2.229 30 10 IEEE Cc1cc2c(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)n[nH]c2cc1C#N 1557351656 GKQMAGAYOGJNDS-UHFFFAOYSA-N 439.497 2.325 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN(CC#N)C1 1558940311 PFMSIVFBQYBVKT-NHCUHLMSSA-N 443.592 2.363 30 10 IEEE COc1cccc([C@@H]2C[C@H]2NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1564754552 DNVLHGRYWZRIBE-LEWJYISDSA-N 440.525 2.139 30 10 IEEE C#CCn1cc(CNC(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)cn1 1568549005 RQTGYOGPFCDIPC-CQSZACIVSA-N 445.317 2.063 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1569857821 WBUVUHUIQDRZFF-AWEZNQCLSA-N 437.315 2.364 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 1570527846 HWXWIUATNJDLRF-SJORKVTESA-N 435.546 2.020 30 10 IEEE Cc1nc(CN2CCC(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)oc1C 1584987084 XDFBHTHGVZWQCG-UHFFFAOYSA-N 448.520 2.370 30 10 IEEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)C(=O)OC(C)(C)C 1587285132 QEJZWKLWQWEZOH-UHFFFAOYSA-N 442.560 2.256 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1587529114 QUUITEIRUHYKLB-UHFFFAOYSA-N 425.441 2.252 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCC[C@H]1CO 1587652052 UAEULDCUPFNCKQ-FPOVZHCZSA-N 435.576 2.211 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588068921 CELGXHAIKPSEHR-GOSISDBHSA-N 441.582 2.195 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1588083788 JYLLDPFLKXBCJZ-YVURAWIMSA-N 442.523 2.419 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)CCC)cc1 1588159357 ULPMEFRTDRNCDD-UHFFFAOYSA-N 432.528 2.260 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1588695093 DLXMURGBQIPYJZ-HDICACEKSA-N 443.552 2.101 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCc2ccco2)CC1 1588761936 CBLSAQBXNKTBGJ-UHFFFAOYSA-N 438.919 2.263 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCCOC)CC1 1589036477 IRRLAQIYUSPBMO-UHFFFAOYSA-N 427.574 2.291 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)CC)CC1 1594202221 HZZGRLALKSSFIF-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594608303 IXPAYMAZQCXHFL-NQIIRXRSSA-N 440.596 2.024 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCOCC2)C1 1595737622 FFUWSKFNOBWIQK-APWZRJJASA-N 432.594 2.136 30 10 IEEE CC(C)OCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1611049318 HVNFLGQOGRTYDO-LJQANCHMSA-N 425.537 2.190 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1 1613011963 YOTDATBIEDYOFC-UYAOXDASSA-N 441.532 2.397 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O)CCCC2 1614553185 UPWHSZBSRNBFHA-AWEZNQCLSA-N 443.435 2.265 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1617447650 NWGDMUFTLRZGPM-PLTNMMHCSA-N 442.589 2.487 30 10 IEEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1623648926 HEFPLIQQGSSUDR-OAHLLOKOSA-N 430.929 2.424 30 10 IEEE Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N(CCC#N)CCN2CCOCC2)cc1 1625971762 ILIISQKLGMJQJQ-GOSISDBHSA-N 448.365 2.357 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccnc(C#N)c1 1626738368 XBJPAQCKKWWTDP-UHFFFAOYSA-N 428.514 2.457 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CC(O)(c4ccc(Br)cc4)C3)cc2)c1N 1629544726 OWKSWMAIYSGRME-UHFFFAOYSA-N 438.285 2.432 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)COCc2nccn2C)c1 1630497791 BHKSHPUOHCRKLL-PTGBLXJZSA-N 433.534 2.168 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)s1 1632605918 KLDQTLCCOOUHHH-SFHVURJKSA-N 448.566 2.489 30 10 IEEE COCC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1635270879 HMHHHUMNLWTYDD-JZXOWHBKSA-N 445.463 2.363 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccccc1SCC(=O)N1CCCC1 1635378152 GIMBRPMVLMADJK-UHFFFAOYSA-N 440.529 2.085 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@]2(COC)OCCc3ccccc32)c1 1636937607 GXQCKTCYQVMVCK-QHCPKHFHSA-N 427.522 2.328 30 10 IEEE O=C([C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1639054480 OFHFTBMEFIAKFZ-ZDUSSCGKSA-N 443.406 2.222 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(c2ccccc2)c2ccccc2)c1 1639119154 ZPYPJPKZYYSWJJ-UHFFFAOYSA-N 448.548 2.332 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c(Cl)c1 1639698499 COJXDUNBPUOBCX-STQMWFEESA-N 435.855 2.083 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1640353943 UVCYCWIRLNSVND-MRXNPFEDSA-N 445.969 2.419 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1644787873 HSMSRJVIUJBQJW-UHFFFAOYSA-N 449.573 2.412 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C[C@@H](O)c1cccc(C#N)c1 1645382731 GHWHZYCEYFSVRV-WOJBJXKFSA-N 430.549 2.477 30 10 IEEE Cc1nc(N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c(Cl)cc1C#N 1651485345 XBKMNAPFVDNKTA-CABCVRRESA-N 426.926 2.138 30 10 IEEE CCc1nc(C#N)cc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)n1 1655128529 CXIAQVXZMVAIRH-UHFFFAOYSA-N 430.306 2.401 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnc(Cl)c(Br)c2)n1 1655207675 XAIDLJLINVBINA-UHFFFAOYSA-N 447.742 2.165 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)CC1 1659310365 SLQWUUTXTIFPRO-IHPCNDPISA-N 428.581 2.140 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)CC2)c1C#N 1682173362 BMZWJGGEIQJRBN-QGZVFWFLSA-N 432.569 2.436 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(c4ccc(Cl)cc4)CCO3)CC2)nc1 1683874695 HYIUXPVWCBOGFY-FQEVSTJZSA-N 440.935 2.344 30 10 IEEE C#CCN(C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1685431410 UARFJCXEJONNMX-BHIYHBOVSA-N 447.557 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)N1CCOCC1 1689824274 LTQIYTGPZRGMAU-DLBZAZTESA-N 430.578 2.009 30 10 IEEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689879743 GDODSUWUROKWRK-FQEVSTJZSA-N 448.571 2.193 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1-n1cccn1 1690000128 SDGJEVQZXQLFRP-UHFFFAOYSA-N 436.479 2.232 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1690071476 WWNJSZWEMCLZTH-JOCHJYFZSA-N 433.560 2.143 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)C)CC1 1690111502 CTOULJRSSCSGRF-GOSISDBHSA-N 442.539 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccnc(N3CCCCC3)c2)CC1 1690148288 BPCHKJMZUDEHQH-UHFFFAOYSA-N 435.576 2.240 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1690508893 RZZYVXOCWXTXQN-SFHVURJKSA-N 439.568 2.222 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CC 1690559879 LXBAGYJIWGZYDV-DENIHFKCSA-N 443.573 2.405 30 10 IEEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCS(C)(=O)=O)cc1OC 1697365615 IBUAHPJCNRXHFM-UHFFFAOYSA-N 433.534 2.137 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1705480262 SHRCGCGQRJQKFO-VGSWGCGISA-N 427.553 2.143 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1705530959 SUNAWWOWOYSJQV-CQSZACIVSA-N 432.322 2.441 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705649464 YPFJALVBCFOFQA-SBUREZEXSA-N 426.565 2.047 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)c1 1705883610 OHGFHLFQUQCKAB-UHFFFAOYSA-N 437.548 2.202 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)O)C1 1705920114 QPSSLATXIYQYPD-QGZVFWFLSA-N 434.562 2.291 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705949106 OKFACBRJEWQDIY-INIZCTEOSA-N 445.545 2.426 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1706750956 CHJHWEURQCRFQU-PNLZDCPESA-N 447.584 2.155 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1c(F)cc(F)c(F)c1F 1706850916 XBEZBHGKUMIXOF-UWVGGRQHSA-N 448.446 2.231 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1710251548 HIHNWUYVIQVWQN-OPYAIIAOSA-N 434.610 2.185 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1711086233 FYMZIQNUXYIZNS-LJQANCHMSA-N 428.562 2.163 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1712524616 GKKKRBJVRXNLMU-SJORKVTESA-N 439.582 2.099 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCOC(F)F)CCO2)c1 1712878753 KQXXCYGPHYYEFQ-IRXDYDNUSA-N 446.458 2.308 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@]2(O)CCSC2)cc1 1712879493 CDYTVLZFXXIKPK-CRAIPNDOSA-N 439.463 2.452 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)CC1 1712886120 IYQCLHKHBRYANZ-SFHVURJKSA-N 439.520 2.251 30 10 IEEE C#CCN(c1nnc(C)n1CC1CCN(Cc2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 1722365779 PJHVXZSOQYAIOS-LJQANCHMSA-N 447.630 2.187 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1722369003 UYXVFBRHYXMINA-QFBILLFUSA-N 447.561 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1722377352 XPYFFKZJGGGHSK-LJQANCHMSA-N 437.544 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1CCS(=O)(=O)CC1 1722384540 VGSLJAKFBMRTNN-UHFFFAOYSA-N 432.496 2.045 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1722428198 XIZLQBANCJRILK-AUSIDOKSSA-N 428.533 2.100 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1722580556 KSORFVXQEKYSIH-UHFFFAOYSA-N 426.569 2.444 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCS(=O)(=O)C1 1722680787 ZROCFTYUMKCNEP-GOSISDBHSA-N 443.573 2.355 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722697250 YCHBNDYJAUSYBE-UHFFFAOYSA-N 435.532 2.337 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1722703863 JXMGHJWERKYQCQ-BTYIYWSLSA-N 447.515 2.094 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@](C)(O)c2ccccc2)C1 1722708864 FEWZDHLTGDNEEG-CVDCTZTESA-N 427.549 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1Cc2ccccc2O[C@H](C)C1 1722726779 FIKIOOOMGFHHKE-MRXNPFEDSA-N 440.529 2.123 30 10 IEEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)s1 1726250534 VEUPFGRHFBVAIF-INIZCTEOSA-N 449.606 2.103 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCNC(=O)C(C)C 1727602355 CBQHZTFMGRFCEU-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE CCN(CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1728418106 DHROZROYUJYTGL-HXUWFJFHSA-N 444.605 2.420 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1728556811 YJSVCLIYYUPSKF-QUJGFWOXSA-N 441.580 2.381 30 10 IEEE COC[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1730460257 AWMMVVUTYUDEFZ-ULQDDVLXSA-N 434.541 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2ccccc21 1740646185 RPYVGLFOTXTZQZ-AZUAARDMSA-N 439.585 2.471 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1740661385 AIPPBEZUEIVLAF-MRXNPFEDSA-N 443.577 2.096 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)Cc1cccc(F)c1 1740674186 XHGSJTMUIUUIKH-UHFFFAOYSA-N 437.523 2.097 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1740696115 MLWPYXXILRQTSM-JOCHJYFZSA-N 430.641 2.369 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1740774095 LQDGUQSRJYUQEB-HXUWFJFHSA-N 441.532 2.442 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1740783286 CEDWJNIEUDUGRB-PGRDOPGGSA-N 440.596 2.229 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCc1n[nH]c(C)n1 1740920202 IHRWHFZXDDFQCP-UHFFFAOYSA-N 438.511 2.401 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C 1746445892 GNXHHWGHSDVMTK-MJGOQNOKSA-N 442.589 2.172 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1746565320 HXAXMHWSYZGDNT-DLBZAZTESA-N 427.509 2.230 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1CCCO 1748661779 KXXMGXGLBNNFJU-SIKLNZKXSA-N 433.560 2.436 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1748731789 LZILYKYLGYMQOV-QGZVFWFLSA-N 442.951 2.367 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1748922755 KTVWRDIYBQDMBO-KRWDZBQOSA-N 449.559 2.439 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)CC 1748955895 AJMQSQLLDBIAKR-UHFFFAOYSA-N 427.530 2.014 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1749140385 OOASKEJCZQWZPL-VAMGGRTRSA-N 447.580 2.090 30 10 IEEE C=C(C)Cn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OCC)CCOC1 1749207955 WDOLXGIRDAKPTF-IIBYNOLFSA-N 449.577 2.351 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749269844 XRXVFDYSJSBOOS-JKSUJKDBSA-N 431.990 2.032 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1749293576 BVWMEHWCPNVJRU-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1749384815 IAPMTGSSDNJZPA-LEWJYISDSA-N 439.560 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCSC[C@H]1C 1749736728 NTLJFSBIGABZAV-MRXNPFEDSA-N 436.603 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3C2)nnc1[C@@]1(OCC)CCOC1 1749739538 FPWONCSVPNVYCG-OAQYLSRUSA-N 432.546 2.051 30 10 IEEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750107805 MGQIIGWSGIGJAP-HXUWFJFHSA-N 440.548 2.033 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1750578808 DHKZWSHYWHHESM-GHTZIAJQSA-N 431.562 2.237 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CCO1 1752388044 MCGXSXVLFSALLJ-UYAOXDASSA-N 441.532 2.397 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CCCO1 1752396798 AWMDVPURSACIKB-QZTJIDSGSA-N 439.564 2.018 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc2c(c1)OCO2 1760248947 GLIACBCQZCBXLC-QGZVFWFLSA-N 428.489 2.066 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760357774 IPYFVKMZOWPWDP-SFHVURJKSA-N 425.599 2.074 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760449338 HNGMGGHAXHQWJG-LSDHHAIUSA-N 431.459 2.370 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1760451139 AIXQNDJKAWFPCK-UHFFFAOYSA-N 426.565 2.158 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1)C1CC1 1760470574 WSROHDVCQQGCNA-ACJLOTCBSA-N 425.580 2.012 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)c1cc[nH]n1 1760688200 COLQOTVNOKWNPZ-QGZVFWFLSA-N 432.532 2.497 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760844587 YUNUAACUEQPZQG-ZWKOTPCHSA-N 438.488 2.093 30 10 IEEE Cc1ccccc1-c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762074760 LICBCGDNDNGLLD-XUTLUUPISA-N 436.516 2.395 30 10 IEEE CN(C)C(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766864022 CBUGZEMXJSHGMN-WOJBJXKFSA-N 438.532 2.448 30 10 IEEE CCN1CCN(CCCCn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1767153190 KPIKQEFUCVUNFB-HSZRJFAPSA-N 440.571 2.124 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)C1 1770110446 SNHFIRJXXAJQLV-PWRODBHTSA-N 441.532 2.110 30 10 IEEE O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)ON1C(=O)c2ccccc2C1=O 1772792353 LLFLLAFJPTZHCG-UHFFFAOYSA-N 425.378 2.312 30 10 IEEE CN(C(=O)c1cc(-c2ccccc2Br)[nH]n1)C1CN(c2nccnc2C#N)C1 1849861627 ZHOPNRNXSIBHHT-UHFFFAOYSA-N 438.289 2.462 30 10 IEEE CN1CCN(C(=O)c2ccccc2C(=O)Nc2c(C#N)cnn2-c2ccc(Cl)cn2)CC1 1851995669 IIIKSHCMQWBBOO-UHFFFAOYSA-N 449.902 2.432 30 10 IEEE C[C@]1(N(Cc2cn(Cc3ccccc3)nn2)C(=O)c2ccc(C#N)cc2)CCS(=O)(=O)C1 1853447008 DBKYLWWARGJQQJ-QHCPKHFHSA-N 449.536 2.418 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)c1 1853827642 BIPJJBHFCXBXQL-HXUWFJFHSA-N 429.542 2.121 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855734734 WLFUHEUAEUQAMG-AWEZNQCLSA-N 431.901 2.202 30 10 IEEE CC(C)CC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858440554 LOJPFBXBHWXBGS-UHFFFAOYSA-N 427.530 2.449 30 10 IEEE COC(=O)CCc1c(C)nc(SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)nc1O 1859432946 KEYYOHANQABZST-CQSZACIVSA-N 439.497 2.452 30 10 IEEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2nc(-c3cccc(OCCC)c3)[nH]c2c1 1860954949 JZSDDSOVHQJWSJ-HXUWFJFHSA-N 449.511 2.295 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862738332 YZRINSLZBVJFMR-VOJFVSQTSA-N 428.397 2.268 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccccc1[N+](=O)[O-] 1864935108 SXNCJACJTZHYFB-GOSISDBHSA-N 432.440 2.481 30 10 IEEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868795353 KIHUPSGOEUTSQO-UXHICEINSA-N 445.633 2.472 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(CC)CC1 1868795894 NZMNLXKOUUQPGD-RBUKOAKNSA-N 431.606 2.084 30 10 IEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccco2)cc1 1870162685 YRBRFNHLLQYAPS-VAWYXSNFSA-N 447.499 2.455 30 10 IEEE COc1ccc(CCc2nnc(SCCO)n2/N=C/c2ccc(O)cc2O)cc1OC 1874221080 TUACXKMKRZCNHL-LPYMAVHISA-N 444.513 2.458 30 10 IEEE NC(=O)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874385004 TVYGPRORRZOTLZ-SSDVNMTOSA-N 425.470 2.088 30 10 IEEE C=C[C@@H](O)C[S@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883403031 RACMYMDFKMIGRS-ISXNSDPWSA-N 429.494 2.274 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2011920425 RXWVKRHQZURESG-OWCLPIDISA-N 440.541 2.060 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)C1 2020886794 PUZKFQCNCRUIGV-NRFANRHFSA-N 439.553 2.478 30 10 IEEE C#CCn1ncc(NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c(Br)c1=O 2162383338 LMPBZDUPGGKBBI-ZDUSSCGKSA-N 441.326 2.077 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1Br)C(=O)O 2237396940 TZVKZCJKDPBTBW-CABCVRRESA-N 439.306 2.478 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2247840715 RFCSRXAPOZDWJY-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255530064 QFULLKLTUFXVJB-KRWDZBQOSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2255645643 QSCVFVLAQOXKFI-CYBMUJFWSA-N 448.354 2.027 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2255651408 JFNTZYQJVKQLIA-GDBMZVCRSA-N 431.342 2.332 30 10 IEEE CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255742981 WDACZQAOHHADLS-LJQANCHMSA-N 446.378 2.343 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255827103 GXKHHYZPODIPBF-CQSZACIVSA-N 434.346 2.180 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2255860887 IGHRIDQUUIPSEO-MRXNPFEDSA-N 431.342 2.230 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 2255867726 GCGRLJIFDOTASR-MRXNPFEDSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)O2)C1 2258957106 KLAMTLHDBORKJZ-INIZCTEOSA-N 434.342 2.296 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C 2267125155 RFHVZRKQVVDFDV-LSDHHAIUSA-N 448.373 2.330 30 10 IEEE Cc1nn(C)c(C(=O)NCC2(N(C)C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267141489 XJIDBIKATWQLHO-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC2(CC2)C1 2267141945 NHDPHLMONICBDN-CQSZACIVSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2267288493 CPDJGQUAKRKFKO-CVEARBPZSA-N 448.325 2.039 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 2267524383 PCEJFSRJZUWWHR-OAHLLOKOSA-N 446.357 2.108 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@@H](O)C#Cc1cccc(Br)c1 2278744661 SXOOGFBSQAJQLP-CVEARBPZSA-N 446.363 2.490 30 10 IEEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1O 2327892858 SUMPPAQZIVOFHN-OAHLLOKOSA-N 447.561 2.463 30 10 IEEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cccc(OC)c1OCC 2331260197 OFTZVWNRHJGFDH-UHFFFAOYSA-N 435.550 2.375 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1C 2337271472 WZYZBNLDLUQWCB-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCC(=O)Nc1nncs1 20912359 CDIGJCLPYPJTHF-UFWORHAWSA-N 425.503 2.173 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cc1C 29822589 PSGNHXUPGMDYAH-GOSISDBHSA-N 427.526 2.476 30 10 IEEE C=CCn1c(=O)c2c(ncn2CC(=O)c2cccc(OC)c2)n(-c2cccc(OC)c2)c1=O 34693334 FQYPRVPXASDREA-UHFFFAOYSA-N 446.463 2.435 30 10 IEEE CC#CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)N1CCN(CCO)CC1)C2 49171957 ADDKRQKAOUGRFL-GOTSBHOMSA-N 436.600 2.403 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460375482 PNSJZZMHYIARCN-LJQANCHMSA-N 439.520 2.172 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 480111338 SISFHANRPPVGSC-SJKOYZFVSA-N 447.314 2.369 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508512223 YLYQUPZZNJXUBW-NQIIRXRSSA-N 436.560 2.273 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508946507 TZBRHKLFARDJCL-QHCPKHFHSA-N 439.564 2.412 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 539764441 ABGIUUJCAMIMAK-NHCUHLMSSA-N 435.576 2.343 30 10 IEEE Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)c(O)cc21 582935671 IHLDGJMYLBSYJM-UHFFFAOYSA-N 426.376 2.274 30 10 IEEE COCCOc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1OC 585721396 CLGIXTJRAIRQPR-INIZCTEOSA-N 425.485 2.428 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 604182258 BNIMGFHTUIUMKL-HNNXBMFYSA-N 428.455 2.318 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)CC(F)(F)F 744154197 GRGXBFOMVGVAPE-CQSZACIVSA-N 435.468 2.177 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C3CC3)CCC2)cn1 751687484 HMPOJGWVXYOXHT-SFHVURJKSA-N 446.621 2.483 30 10 IEEE C#CCN(C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C)C1CCCC1 757173220 BAAGTDBZRUQJMH-UHFFFAOYSA-N 446.463 2.448 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)/C(=C/c3cccnc3)NC(=O)c3ccccc3)CC2)n1 761035345 ACVXUHGDVAWSOY-JWGURIENSA-N 438.491 2.468 30 10 IEEE CC(=NN=C1NS(=O)(=O)c2ccccc21)c1cc2c(cc1Br)NC(=O)CO2 767356956 XJDZCOQGIJDYIA-UHFFFAOYSA-N 449.286 2.243 30 10 IEEE COc1cc2c(cc1F)CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 777010959 FMPNOTFKUCJQHP-ZDUSSCGKSA-N 431.489 2.236 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)cc1 778679525 ANEZPHCZSURGTJ-IHHMQQGQSA-N 446.492 2.469 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1 789321196 TYGRIDHKUXAQIF-ROUUACIJSA-N 426.517 2.002 30 10 IEEE NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccnc2F)cc1 794441335 OMFPEIAUKYZJPT-MRXNPFEDSA-N 441.488 2.120 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccnc(C#N)c3)cc2F)C[C@@H](C)O1 795969202 IFUWVYPEULCSTC-HUUCEWRRSA-N 426.448 2.179 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 802694595 KIEJPQOJKXMESS-SFHVURJKSA-N 447.561 2.167 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cnc21 916908112 LHGTZNJWDKDIHL-MRXNPFEDSA-N 442.435 2.270 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(OC)c(OC)c3)cc2C1=O 916933156 OVHSNDPJRULVTO-QGZVFWFLSA-N 433.420 2.447 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(C)c(C)c3)n[nH]2)cn1 1084454181 CQAXCLCPDPCDCQ-UHFFFAOYSA-N 428.522 2.441 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3COc4ccc(O)cc4O3)c(C#N)c2N)cc1 1137138040 ZULCAFHJEOWGNZ-NRFANRHFSA-N 433.468 2.229 30 10 IEEE CCO[C@H]1C[C@@](CO)(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(C)C 1138270868 AUPBFCLUAGUZEE-PXNSSMCTSA-N 436.350 2.439 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCCNc2ncccc2C#N)C1 1142386889 ZGDDWXPKZYOINA-WMZHIEFXSA-N 437.500 2.298 30 10 IEEE C=C[C@H](CO)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 1148559595 RGERCUYFWLTBOT-MRXNPFEDSA-N 425.514 2.483 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1149251469 UMEMMALLBGQURG-RBUKOAKNSA-N 445.516 2.232 30 10 IEEE Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc21 1156592615 ZPGSZGGCEDKIGS-MRXNPFEDSA-N 442.401 2.390 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc(OC)c(OC)c1 1167122110 ZWNLGEFRBQMAMF-HNNXBMFYSA-N 432.502 2.335 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](CO)c2cc(F)ccc2F)CC1 1176925659 CTKUXFUKVZSFSQ-LEWJYISDSA-N 432.446 2.136 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)CC(C)(C)CC#N)CC2)cc1 1186008884 AYVDDLGHYVILCF-UHFFFAOYSA-N 427.592 2.308 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCNC(=O)CCCc3ccccc3)C2=O)cc1 1234023153 FHHIVIXAEVRMOK-JOCHJYFZSA-N 447.539 2.492 30 10 IEEE N#Cc1csc(CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n1 1251295881 NHEAFVQMUSIAHM-KRWDZBQOSA-N 425.562 2.154 30 10 IEEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)CC1 1277114106 KKLYVZYIEWSKBO-UHFFFAOYSA-N 446.310 2.027 30 10 IEEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286346820 CMAJPTOLZYIUHR-MRXNPFEDSA-N 426.546 2.358 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286435464 AYZXDOYVAUZAKW-OAHLLOKOSA-N 435.454 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C)cc2OCCCOC)CC1 1286488812 UTORJRCDZPSHFR-UHFFFAOYSA-N 439.560 2.324 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCCN2CCC)CC1 1286494337 MAHGVHULZTUIHO-NHCUHLMSSA-N 442.608 2.360 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286505947 CCMVCGWGQLEBLD-LSDHHAIUSA-N 445.511 2.043 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286545546 YZNWGXDIOVAGMS-SFHVURJKSA-N 433.310 2.203 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1286773874 UWQHMBXBFNEGQQ-HXUWFJFHSA-N 433.597 2.456 30 10 IEEE C[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1288626791 FGNBZRCNWUNBKC-LJQANCHMSA-N 445.575 2.269 30 10 IEEE CC(C)(C)[C@H]1CNC(=O)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1289274524 MNYXTVBKPOXENK-QGZVFWFLSA-N 425.489 2.396 30 10 IEEE CN1C[C@@](C)(Cn2c(N3CCN(c4ccc(C#N)cc4F)CC3)nnc2C(C)(C)C)C1=O 1298877176 LXUQYFQHEHQRHM-QHCPKHFHSA-N 439.539 2.391 30 10 IEEE C#CCCCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@@]1(OCC)CCOC1 1300375727 BOJIPNFKYZIUBM-JOCHJYFZSA-N 427.553 2.242 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1300505881 JXKFUNANSDRMTN-FQEVSTJZSA-N 445.502 2.440 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(CN(C)C)c2)CC1 1300703429 KAOWCFVLROMSRL-UHFFFAOYSA-N 429.572 2.129 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@](C)(O)c2ccco2)CC1 1300727436 XTZKAHUQFZASGI-QHCPKHFHSA-N 427.549 2.333 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1301049051 RPMOBDKCFKYODV-LJQANCHMSA-N 436.495 2.226 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnn(C)n1 1301169649 DOTARHUUVURPMX-UHFFFAOYSA-N 434.508 2.348 30 10 IEEE COC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301278315 PPCJKDLKISOURO-KHOFPDMRSA-N 442.564 2.400 30 10 IEEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC)C1CC1 1301322087 CWQUEQSKICUMSJ-UHFFFAOYSA-N 435.532 2.308 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCN(C)C1 1301337959 ONNKXUSLJCYTTJ-RDPSFJRHSA-N 441.576 2.440 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1301808584 GBILSLOKTPMMGL-MRXNPFEDSA-N 444.927 2.087 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C(C)C)C(C)C)CCOC1 1303506672 PZAUKZLYKUIKRM-KNQAVFIVSA-N 434.585 2.166 30 10 IEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@@H]1C 1305255262 CQCZTSKJLRUMEG-HLLBOEOZSA-N 426.546 2.338 30 10 IEEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312469605 PEEXDQDDOQUFGF-CHWSQXEVSA-N 442.442 2.438 30 10 IEEE COC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1315130246 HWTCTYFYMRPUBG-LJQANCHMSA-N 438.532 2.389 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1316364284 HCQYDWUXEWSLRA-HNNXBMFYSA-N 435.575 2.219 30 10 IEEE CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)CCN(C)CC1 1316398902 HSAQMCGWTCWUFQ-MRXNPFEDSA-N 442.593 2.349 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1358912736 XPKBFQBGHADCRM-VGOFRKELSA-N 446.548 2.221 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1358916504 NJZHPMCUQJTQRH-VGSWGCGISA-N 443.573 2.457 30 10 IEEE C#CCCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1358920200 UXIBQEYKKYTBOC-QGZVFWFLSA-N 428.581 2.145 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1358958711 UOIYKQRTDGBMDR-QGZVFWFLSA-N 446.598 2.476 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358959493 JWKSJBKAHYNZOS-IAGOWNOFSA-N 449.964 2.189 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358959962 SXZBGGJAPYYSSV-HUUCEWRRSA-N 440.928 2.210 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CC2)CC1 1359038580 BALQCBNPEARZNL-HKBQPEDESA-N 441.601 2.140 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359054214 NJACDOUTRGOAGM-INIZCTEOSA-N 446.577 2.370 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1359056413 FDFNYDPWVSIVBQ-KRWDZBQOSA-N 446.598 2.118 30 10 IEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC 1359058343 ZRYNJGHMLKOVKX-MRXNPFEDSA-N 439.582 2.036 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1359066040 LTJKXSPQSBXTHP-MRXNPFEDSA-N 426.340 2.072 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1359182877 WNMDBTDTJLEVQM-UHFFFAOYSA-N 429.569 2.110 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1 1359282013 PADJLLVJGUMQLR-GDBMZVCRSA-N 439.607 2.388 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)nc1 1361176292 LXXNVVVGVJXCER-UHFFFAOYSA-N 434.422 2.026 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[C@H](CO)C1CCC1 1452260295 OOGAQYLVZVQUDL-VGOFRKELSA-N 441.553 2.415 30 10 IEEE N#CCN1CCC[C@@H](CNC(=O)c2cnn(-c3ccccc3)c2I)C1 1457667996 CBYQRWGQALSDMM-AWEZNQCLSA-N 449.296 2.442 30 10 IEEE N#Cc1ccc([C@H](C(N)=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)cc1 1460599769 QKTGQYGKWDQFKC-LJQANCHMSA-N 427.302 2.192 30 10 IEEE COc1ccc(CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 1470387510 FXVZUGAQAWJBNX-UHFFFAOYSA-N 428.514 2.303 30 10 IEEE C#CCN1CCC(C(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CC1 1470844610 MXNPPSWORPJLDA-UHFFFAOYSA-N 427.549 2.422 30 10 IEEE COC(=O)[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccnn1C 1473581486 GKFADRRODBETKO-FQEVSTJZSA-N 438.463 2.281 30 10 IEEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2c(C)nn(C)c2C)CCOC1 1502659729 CJSYYRBLGWMQOI-JOCHJYFZSA-N 427.553 2.459 30 10 IEEE CN(C)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1503403032 KMDMLVAOGIGZPX-JOCHJYFZSA-N 425.512 2.457 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C(F)(F)F 1503956249 QWGPMBXMAPPVFE-KXBFYZLASA-N 436.438 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1507515234 WFTWZTMRGCKJNC-OAHLLOKOSA-N 448.474 2.214 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCN2CCCC2)cc1 1507515858 XADFNVFQICCOFE-LJQANCHMSA-N 438.576 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1507521204 KZSJEGOZMCEEDB-KDOFPFPSSA-N 441.532 2.344 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)OCC)CC1 1507733058 XFKRMQFSWYUBCZ-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCC2)CC1 1507739979 WJASZQWTVBGMAR-OAQYLSRUSA-N 442.608 2.014 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507865796 VHVJCDBVYNVOHW-GOSISDBHSA-N 436.988 2.059 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508061576 QEXUWMNAJGBITK-OPAMFIHVSA-N 430.553 2.438 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCCOC2)C1 1508085812 JKRURWVWZTUGEF-QFIPXVFZSA-N 431.487 2.456 30 10 IEEE CC(C)Cc1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509181246 AYWBEIRSAXSITB-YVHXKWHWSA-N 428.537 2.010 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1517636832 JRVHKYUSUOQPBV-IBGZPJMESA-N 438.532 2.368 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1531928063 HBOCPRHEHHYBOU-KSSFIOAISA-N 426.304 2.158 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC(=O)NCC(F)(F)F 1539253542 VSSWTOPLBMGJSM-UHFFFAOYSA-N 426.402 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@H](O)C1 1539305175 SBAWDFLFRRHOSN-AZUAARDMSA-N 440.569 2.363 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1540862835 KBEXUDIKOIALLH-MRXNPFEDSA-N 428.512 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1540868873 VAMVXDVKTXGCDY-CYBMUJFWSA-N 427.459 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(F)F)C1 1540904794 QEUZWULMAZUHAV-INIZCTEOSA-N 425.505 2.346 30 10 IEEE CC(C)CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1541588801 BELUPJPCWPPGHG-HNNXBMFYSA-N 428.628 2.408 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCN1CCN(Cc2ccccc2)CC1 1541801820 DSMZOHYMMKKEFC-HXUWFJFHSA-N 447.591 2.235 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1555191080 FAYCAKWKCIQQPS-VQTJNVASSA-N 440.548 2.077 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1555428481 DPCZGZLMYFKXHS-PKTZIBPZSA-N 441.532 2.133 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCCCCO)CC2)c1 1555991000 OEOKZMLLXNXDOH-LJQANCHMSA-N 425.537 2.276 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)CC1 1556346678 HASLHQJORSJPPP-AABGKKOBSA-N 447.576 2.169 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CCCCN1CCO 1556714710 OORFIPMYITVAPX-HNNXBMFYSA-N 440.338 2.061 30 10 IEEE Cn1cc(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1558094297 BMQZSRIVYRZFDM-JLYLLQBASA-N 427.530 2.163 30 10 IEEE N#CC1(CCCN2CCN(c3ncc(I)cn3)CC2)CCOCC1 1560049473 CQLZCXMGGARAIH-UHFFFAOYSA-N 441.317 2.304 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN(CC(=O)N(CCC#N)CCC#N)CC2)CO1 1560190744 RZOMOHPQODFMPQ-GOSISDBHSA-N 433.553 2.038 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@H]2CCCCc3cc(Br)ccc32)c(=O)nc1O 1565104507 VFALYQKRLNTIDZ-INIZCTEOSA-N 446.305 2.350 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1585178066 VQGLVRFGYNARMO-HEEFDWFXSA-N 429.480 2.036 30 10 IEEE N#Cc1c(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)ncc2c1COCC2 1585441247 QEQYZRXJDKRKDS-UHFFFAOYSA-N 441.241 2.023 30 10 IEEE C#CC[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)C1 1585656139 KLKKVSRSQYVAHL-OAHLLOKOSA-N 439.559 2.493 30 10 IEEE C#CCCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1587793524 PHXGJHOZPLGSRW-DHIUTWEWSA-N 431.581 2.035 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587872313 DXCJLLQOKRVSTC-UHFFFAOYSA-N 429.590 2.339 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1588054476 NQOIEMSZNYDBQV-PBHICJAKSA-N 449.602 2.385 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[C@@H]2CCOC2)CC1 1588913548 MNFAIYMHZAHFFP-QGZVFWFLSA-N 425.508 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](CC)OC)CC1 1588946333 BQBHXAWMLRBZOE-HXUWFJFHSA-N 427.524 2.399 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1589116346 GVNORXFGXOTZAX-KRWDZBQOSA-N 443.573 2.195 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1594582203 NOFCWEGBBAYOLH-OAQYLSRUSA-N 431.562 2.407 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1594733655 WXXCPVWLTMOKCR-YESZJQIVSA-N 435.525 2.114 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CC1CC1 1595489770 INAQHRIRRFYACA-UHFFFAOYSA-N 446.353 2.478 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CCO2)c1 1598448558 JNXUPXLIMIKOMM-WMZOPIPTSA-N 431.539 2.059 30 10 IEEE CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1613077539 UBPZJLPTZMKKLC-HSZRJFAPSA-N 448.531 2.103 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1615916684 BIILOTBLGFMFBF-HKUYNNGSSA-N 438.532 2.259 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1617915724 CUSJXRGSHQQVGI-LJQANCHMSA-N 447.538 2.188 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1Cc1ccc2c(c1)OCCO2 1619913458 DLNIJYFUIWXPHS-UHFFFAOYSA-N 434.500 2.450 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1620041782 TUHXUZCKAQZXQO-JOCHJYFZSA-N 437.479 2.174 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1623649331 RNQAGZJGZGVVME-IAGOWNOFSA-N 444.557 2.135 30 10 IEEE Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1627934463 KHXZHUVYORSHGC-HXUWFJFHSA-N 427.398 2.146 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)C2=O)cc1 1632770470 WZRUDAFBMKQLDW-MRXNPFEDSA-N 446.294 2.302 30 10 IEEE CC(C)(C)c1csc(CC2(O)CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1635763441 NKCKSKRGZCXTSY-FMQUCBEESA-N 446.573 2.253 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn2c1CCCC2 1635857798 PBNIIMOHCLUEGU-KRWDZBQOSA-N 429.546 2.133 30 10 IEEE O=C([C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1639054479 OFHFTBMEFIAKFZ-CYBMUJFWSA-N 443.406 2.222 30 10 IEEE C[C@H](C(=O)OC(C)(C)C)N(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1642978820 VWAVHHDQEWTJRK-RDTXWAMCSA-N 440.500 2.484 30 10 IEEE Cc1cc(S(C)(=O)=O)cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1C 1649040468 FFNBQTMFUFMEMM-UHFFFAOYSA-N 430.482 2.225 30 10 IEEE CCOc1ccc(-c2nnc(S)n2CCC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1651018760 ZBQQKSNXWJSJJM-UHFFFAOYSA-N 443.529 2.328 30 10 IEEE COC(=O)c1ccc2c(c1)CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1652766349 WIAGLOJTNUCADK-OAHLLOKOSA-N 441.509 2.381 30 10 IEEE Cn1ncc2c1CC(C)(C)CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C2 1654380607 DPIXUDQFYXXHEK-JOCHJYFZSA-N 438.551 2.353 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H](S(=O)(=O)N(C)CCOC)C3)cc21 1673312217 SBEFCYGHCAAFEA-GOSISDBHSA-N 435.550 2.127 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC1 1673628223 ZMKYICWSAUYGLB-FCDQGJHFSA-N 432.546 2.272 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC1 1673628224 ZMKYICWSAUYGLB-NMWGTECJSA-N 432.546 2.272 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)c(F)c1 1674630945 LLJUPNMDTRISIL-LJQANCHMSA-N 428.489 2.199 30 10 IEEE Cn1ccnc1[C@](O)(CCNC(=O)Nc1ccc(Br)c(C#N)n1)C(F)(F)F 1679661153 DFCLLMYZUGAJIA-CQSZACIVSA-N 447.215 2.411 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C 1681447084 TUFFFADUOGLDFH-CVEARBPZSA-N 431.541 2.262 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)C2)nc1 1681563295 RRVFGLNGGKSWFL-KRWDZBQOSA-N 432.488 2.436 30 10 IEEE CC[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(S(N)(=O)=O)c1 1684052412 CYGRAFQBMWHLFL-HXUWFJFHSA-N 427.530 2.189 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690092224 AMMWBAVTIXOXMI-RBUKOAKNSA-N 439.564 2.132 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1690093854 MDXOAINXLQCFDO-QUCCMNQESA-N 430.574 2.341 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N(C)C)nc1 1690105230 YHKPEGFPIXWAHW-UHFFFAOYSA-N 425.562 2.229 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1690163312 AQUKKVXJXBSKSE-QFIPXVFZSA-N 444.557 2.324 30 10 IEEE C=CCCCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1690496212 MKJPWKWXDKVYQH-QFIPXVFZSA-N 445.568 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1690668852 LUVPLYXZUHIONL-HKBQPEDESA-N 438.557 2.325 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)C(F)(F)F 1697132116 JMONNGGQJLCOKJ-MRXNPFEDSA-N 436.438 2.486 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1698294840 DFWUYAWVXXGZPK-LJQANCHMSA-N 440.529 2.180 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCSCCCO)CCO1 1698492361 FJNJQXPMHVKLSK-GOSISDBHSA-N 426.546 2.125 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1cnn(C)n1 1705474603 JOFGYDSPLWJXLW-HNNXBMFYSA-N 440.939 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@@H]2C)CC1 1705648086 RIFGYSYWCNIVDT-FXAWDEMLSA-N 436.560 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705693751 KDOQPHWYHMVAAF-CTNGQTDRSA-N 430.597 2.127 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1705709033 KDXTZYFBBVLIRI-VCOUNFBDSA-N 434.500 2.439 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1705714439 QXQWHSSCSJHTEQ-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705737851 CRICVQDDHORFCT-SFHVURJKSA-N 430.578 2.428 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1705871936 FAZHRSADCJJZRL-UHFFFAOYSA-N 445.593 2.189 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705903817 VRDSMNJRFKJHKX-MSOLQXFVSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1705932635 XEWVDCGVBCBWPD-UHFFFAOYSA-N 442.501 2.486 30 10 IEEE CC(C)c1nnc(N2CCC(c3ccnn3C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706293760 NWULMNXAPCXQQP-XUTLUUPISA-N 438.536 2.045 30 10 IEEE CCc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1Cc1ccc(C#N)o1 1709046777 URTMLXVQNLGHSG-UHFFFAOYSA-N 428.518 2.077 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C 1711085451 HXTIREYJZYATFN-VQTJNVASSA-N 442.589 2.028 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 1711407108 QPVMNWLSQYNAGH-UHFFFAOYSA-N 445.321 2.354 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)C1 1712694876 BUJYNICWGDJPCM-MRXNPFEDSA-N 445.476 2.132 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C(N)=O)CCOCC1 1722348291 VDVOQHOIRQTLCZ-UHFFFAOYSA-N 449.511 2.469 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)CN1CCOCC1 1722425239 RSKFDCRYRCUJBM-LJQANCHMSA-N 436.560 2.481 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1722435138 BXBLZWKHOJXTLH-DYESRHJHSA-N 425.533 2.143 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCCC2(C)C)CC1 1722440047 ZLAWMQYGCHKNDN-QFIPXVFZSA-N 428.606 2.330 30 10 IEEE C=CC[C@H](Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1722597145 QVVODQOLLDVGFT-AUSIDOKSSA-N 425.533 2.226 30 10 IEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1722609826 HEIRFLZANBCUQM-AWEZNQCLSA-N 434.342 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccco2)C1 1722720195 HXGHGIBPNTVFGZ-PGRDOPGGSA-N 426.521 2.422 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722738709 NZWQHPGYMQNNDO-SJORKVTESA-N 440.577 2.078 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1728628693 GTWWBLRINZHNRX-XXBNENTESA-N 437.592 2.310 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC[C@@H]1C 1730405274 KHECJWMRQGAEBJ-LPHOPBHVSA-N 426.521 2.068 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(F)cc1 1730762404 FZOGZMUAYPELKB-AEFFLSMTSA-N 449.552 2.489 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1730804934 AVRJBEUMMFEIGL-IAGOWNOFSA-N 449.515 2.221 30 10 IEEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1731055324 CASKVJYUIXBPDM-WMLDXEAASA-N 426.612 2.304 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1740533564 CJUXYHYERODHAR-PKOBYXMFSA-N 425.533 2.352 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC)C1 1740576489 YLAZFQQBWYPPNS-FQEVSTJZSA-N 439.564 2.107 30 10 IEEE C#CCCCn1c(N2CCN(CCOC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740597537 VDNXTZJLIYDEOC-KDURUIRLSA-N 446.596 2.231 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740619996 BIUHHGOCGMATKG-IRXDYDNUSA-N 432.546 2.005 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn(Cc2ccccc2)c1 1740644879 XROGTCOQTIYADO-GOTSBHOMSA-N 444.539 2.368 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1740699878 WZKSNYZMZFDHPW-QUCCMNQESA-N 427.524 2.303 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1740791998 DQRXDRMHWRWRNI-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1740871761 NMZCKVKRCVWQDN-UHFFFAOYSA-N 433.534 2.158 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1745554584 DKCISZWPTHJGEJ-QHCPKHFHSA-N 438.532 2.404 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1748365259 SHAGLTIXFCAAQG-UHFFFAOYSA-N 448.531 2.270 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1748875012 HXDACRNBWIZXSG-LJQANCHMSA-N 448.571 2.456 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC(C)C 1748916909 IUUVJQCQRQEAEY-UHFFFAOYSA-N 439.969 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCOCC(F)(F)C(F)F)CC1 1748986642 FGRNVRYTQUDZIU-UHFFFAOYSA-N 440.445 2.321 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1748998776 ZMNLSTZKFBHEQJ-KRWDZBQOSA-N 441.513 2.480 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1749230493 YHDBUZPQHJIJCN-OAQYLSRUSA-N 433.597 2.313 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749609193 GPPNWSGVNRGKRM-OAQYLSRUSA-N 429.477 2.188 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1c(F)cccc1F 1749678012 SFQUJGXOSVDBBB-UHFFFAOYSA-N 432.475 2.007 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CN(C)C)c2)C1 1749693690 LYJZRFDNEZGIFP-OAQYLSRUSA-N 438.576 2.405 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCS1(=O)=O 1760164509 UKNAMOSCXXUTBD-GOSISDBHSA-N 431.562 2.140 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760188321 OLQJIFNBVHEKEJ-IBGZPJMESA-N 444.557 2.008 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)(F)F 1760226343 QWDJDVGUTFDOES-UHFFFAOYSA-N 447.259 2.184 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760276876 RZFXOHJWXIRVAD-UHFFFAOYSA-N 427.509 2.469 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCCC1 1767863339 JGYBMSGWGOQPED-INIZCTEOSA-N 425.537 2.081 30 10 IEEE CCOCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1768094041 GFYQQTYRVLEOQV-SFHVURJKSA-N 447.547 2.067 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@@H]1CCCO1 1771289157 NVNFEQXYCSHNLN-UFYCRDLUSA-N 433.553 2.328 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1772564692 SYHMMBRKEBYIMY-HNNXBMFYSA-N 427.530 2.408 30 10 IEEE C=CCN(C(=O)c1nnn(-c2cc(Cl)c(OC)cc2OC)c1C)[C@@H]1CCN(C)C1=O 1850855911 FTVPEMGYEIMGSZ-CQSZACIVSA-N 433.896 2.105 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@H](N3CC[C@H](Oc4ncccc4Cl)C3)C2=O)ccn1 1855102763 JRFFLJWZDKRNTI-WMZOPIPTSA-N 425.876 2.286 30 10 IEEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2)CC1 1855866837 GGJONFZJFMGKOF-IRXDYDNUSA-N 428.920 2.304 30 10 IEEE C#CCOc1cn(CCCCN(CC)CC)c(CN2CCC3(CC2)OCCO3)cc1=O 1870563818 QAPZQKWIOJWIMJ-UHFFFAOYSA-N 431.577 2.321 30 10 IEEE C=CCn1nc(C(=O)N2CCC[C@H](C(=O)OCC)C2)c(I)c1C 1871335926 FZELZHFPMUTVCL-LBPRGKRZSA-N 431.274 2.397 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)c1 1874344415 LQADPYNTGOSUAZ-YDZHTSKRSA-N 441.513 2.376 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(COc3ccccc3)nnc2SCC(N)=O)cc1 1874383370 MXFJGQMRAMWFKT-SSDVNMTOSA-N 425.470 2.103 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 1891200497 VBDYOXMNRYBZLQ-UHFFFAOYSA-N 434.924 2.120 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212225399 FHGATFHGUPFILJ-WIEQDCTASA-N 427.542 2.190 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)Cc2nn(C)nc2Br)C1 2226983918 WTAPOCFKZCCAPF-UHFFFAOYSA-N 428.331 2.397 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)C1 2247571760 OAIMMDQTAZJYMU-UHFFFAOYSA-N 433.509 2.102 30 10 IEEE CCc1nc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247908487 VHFIBWUAIXIBFL-NWDGAFQWSA-N 437.371 2.400 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2247918467 LPUZYDJEEJRADW-UHFFFAOYSA-N 429.351 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420240 QASVSXZKWXTKGK-CQSZACIVSA-N 437.371 2.458 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2255541634 FHBOCIHCZWOOOJ-JKSUJKDBSA-N 432.326 2.390 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2(CO)CCC2)n1 2255657558 QNSBZIYNPSVOIH-UHFFFAOYSA-N 425.338 2.277 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255666772 YTTXMAPBJRRWQG-KGLIPLIRSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255809819 DNLOOCMMGDQSTC-ZIAGYGMSSA-N 449.382 2.381 30 10 IEEE Cc1nc(C(=O)N(C)C[C@@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2255811963 LHNDHXVKKGCBDI-QGZVFWFLSA-N 446.378 2.400 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260800304 YBRVZJBJEVSRJD-CSKARUKUSA-N 442.362 2.238 30 10 IEEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 2267131474 BNWIWHVRIQFVIP-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2267142351 SMDPMAYJMGAFER-ZIAGYGMSSA-N 446.357 2.084 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267188207 JFHOOOMSYFLUCV-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE CCN(CC)CCN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267189839 GQTWAVHMCDWZOP-UHFFFAOYSA-N 441.385 2.099 30 10 IEEE Cn1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267546560 YJUFDFJKSAWWLK-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277736001 YUITWZUZIIQBHU-VIFPVBQESA-N 425.287 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO[C@@H]1C2 2334271282 YAPAUIQHCUGQMJ-HLFMIMNKSA-N 448.325 2.133 30 10 IEEE C=CCn1c(=O)c(=O)n(CCC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 33272462 OLXMGNUETGYDKT-UHFFFAOYSA-N 436.487 2.227 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 47157295 AHIKQHOGLVBEJH-UHFFFAOYSA-N 449.554 2.188 30 10 IEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)COc3ccc(C)cc32)cc1 96579027 BNXUHQUAGCRQAV-UHFFFAOYSA-N 431.470 2.414 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 409502177 NQEPHMWDTFUUNN-NVXWUHKLSA-N 430.534 2.178 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)n2)c1 409878738 HRCNEKJHOZLUJL-FCHUYYIVSA-N 440.507 2.073 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 437363797 HRVXFUJCQBUGPN-VUCTXSBTSA-N 435.452 2.499 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 478747771 PFZLOTLBJSCCMK-INIZCTEOSA-N 425.510 2.062 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)Nc3cn[nH]c3)c3ccccc3)cc2C1=O 495452910 XPSCLCWFEIIOLK-IBGZPJMESA-N 429.436 2.302 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508800665 HDDOGXHTSKSYNY-NRFANRHFSA-N 432.546 2.309 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 508887099 HJEBKTGBBIJMQS-UHFFFAOYSA-N 443.573 2.373 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2CCN(c3ncccc3C#N)CC2)sc2c1CCC2 532758471 ZFJLEXCJYFDACC-UHFFFAOYSA-N 439.541 2.441 30 10 IEEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCCN=c1cc[nH]cc1 534525981 HIDIDDVTRSAKOJ-UHFFFAOYSA-N 429.480 2.429 30 10 IEEE CN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 536262921 JMUVMYOFFCMBBR-JAXLGGSGSA-N 431.496 2.325 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 549657420 CQRDDVWZKCRWSN-DOTOQJQBSA-N 429.550 2.266 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3cccc(Br)c3C2)cc1 568571312 MDDIUGYYNBEAJR-UHFFFAOYSA-N 434.315 2.184 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 576566933 QPSIJTUVPOPEJG-OAHLLOKOSA-N 430.557 2.347 30 10 IEEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 609087997 JMTDLCLBGVLYDH-UHFFFAOYSA-N 434.443 2.349 30 10 IEEE Cn1c(SCC(=O)NS(=O)(=O)Cc2ccccc2C#N)nnc1-c1cccs1 726858597 IXCXTHWREUIVIN-UHFFFAOYSA-N 433.540 2.154 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cc(OC)ccc1OC 733202340 QIONWBLUIPFDGS-KRWDZBQOSA-N 439.497 2.477 30 10 IEEE CCOC(=O)CCC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 749074901 SWOYKVDOCCVDTH-OAHLLOKOSA-N 435.546 2.086 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H](NC(C)=O)c2ccccc2)c1 749503515 BAXJACRCUUMRRI-QHCPKHFHSA-N 433.508 2.127 30 10 IEEE C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnn(C)c1 750686059 CECSWNDBBPEMHG-KXBFYZLASA-N 443.529 2.046 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCCO[C@H]1CCOC1 757373246 WQJXUZDIBVEAQN-PKOBYXMFSA-N 442.541 2.354 30 10 IEEE CC(=O)C(C)(C)CCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 772288408 COZHBNFCBJOAPE-UHFFFAOYSA-N 442.472 2.393 30 10 IEEE CCOc1ccccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 775303163 MYMNIVYHVUVBOH-UHFFFAOYSA-N 436.511 2.281 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 779113832 WNRBRRFKTITKBJ-CRAIPNDOSA-N 435.546 2.116 30 10 IEEE CCN(Cc1cn(C)nn1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 781825220 NGKYXQNPSBOSEQ-NMWGTECJSA-N 447.565 2.462 30 10 IEEE COC(=O)c1cccc(CS(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1 789572933 WREJGOYYNRIWKT-LJQANCHMSA-N 430.482 2.394 30 10 IEEE COC(=O)c1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)cc1 789967382 LOQHIJFBFNSCPW-MRXNPFEDSA-N 426.502 2.094 30 10 IEEE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(c3ncccc3C#N)CC2)c1 798229176 DJSDRZNRDWDBOQ-UHFFFAOYSA-N 435.528 2.016 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1 809885999 SFIZJXGFENXIND-GOSISDBHSA-N 432.569 2.447 30 10 IEEE C#CCN(c1nnc(CN2CCCc3ccccc32)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 812185579 TTWVYULFRQLEJC-FQEVSTJZSA-N 439.585 2.434 30 10 IEEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 814926682 FIQOXZGUBUQEKA-UHFFFAOYSA-N 439.423 2.459 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)c1 1084449324 DUOBIOZOUWEGIT-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3C)cc2C1=O 1129804909 ACLLDBLABFLKMQ-UHFFFAOYSA-N 427.482 2.280 30 10 IEEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1136164714 DTAIGAHFXYMELO-HNNXBMFYSA-N 433.350 2.480 30 10 IEEE COC(=O)CC1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOCC1 1137059510 DNXFTISLPQLOKG-TZQQIIETSA-N 435.521 2.002 30 10 IEEE CC[C@@H](CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O)Oc1ccc(Cl)c(Cl)c1 1138228559 DESVPSLOBIXQNH-LBPRGKRZSA-N 425.272 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 1160053130 YWSHEQWWKUIGDF-LJQANCHMSA-N 441.532 2.018 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)nn1 1160842313 XGTWWBAKFWXAEU-RBUKOAKNSA-N 440.504 2.072 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1ccc(F)cc1 1177986468 BMSOZKPIKGVMFL-GOSISDBHSA-N 447.532 2.144 30 10 IEEE CCc1cc(N2CCC[C@H](NC(=O)N3CCN(c4ccsc4C#N)CC3)C2)ncn1 1221821083 GRRVBUNLJVNARI-KRWDZBQOSA-N 425.562 2.473 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1286297182 AROVSELODXJLTI-OKZBNKHCSA-N 431.562 2.068 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286315770 ZMBJKRKSIUGMHW-ZWKOTPCHSA-N 433.582 2.038 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCSC1 1286400381 DWNOQOZQGPTYOR-KRWDZBQOSA-N 442.614 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286425044 BEJPEKVUEDLDSB-UHFFFAOYSA-N 433.537 2.396 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1286474896 MNJXUXIDZFLCCS-UHFFFAOYSA-N 441.601 2.088 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(N2CCCNC2=O)CC1 1286711135 KEJXAJZRLPGZSL-UHFFFAOYSA-N 427.553 2.260 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286789002 MNZUOGXXJNETPK-UHFFFAOYSA-N 442.539 2.194 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N(C)CC(=O)N1CCOCC1 1286798284 FIDWPNTVHTTWOM-UHFFFAOYSA-N 425.533 2.139 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286802037 MNGIQZTZANCZSJ-QUCCMNQESA-N 441.557 2.423 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)s1 1292784793 DUKVXUCUDNYUCK-UHFFFAOYSA-N 436.545 2.384 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@@H]43)c(C#N)c2N)cc1 1294271534 IWIVNWDLLSXKQW-GGPKGHCWSA-N 434.544 2.378 30 10 IEEE CCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1297560117 XKOXLQQWVCJLJZ-QGZVFWFLSA-N 448.531 2.367 30 10 IEEE CO[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOC1 1299810025 JUEWQGAOUHJEFR-QFIPXVFZSA-N 426.521 2.207 30 10 IEEE C#CCCCCn1c(CC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1300365955 CCYDCFOZOIJESG-IAGOWNOFSA-N 433.553 2.394 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1300671947 RQYLVNLUORARIV-QGZVFWFLSA-N 429.487 2.142 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)C1)OC 1301028721 AICSLIOKUTUJQT-UGKGYDQZSA-N 429.521 2.395 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1301272123 BWQGJPZMPPMFIG-OAHLLOKOSA-N 434.566 2.275 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1301383468 IIEHFGOVDVPLEJ-UHFFFAOYSA-N 435.532 2.332 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1301496516 BTKOJBKDNHHMLQ-GJZGRUSLSA-N 446.577 2.418 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCn2ccnc2C)CC1 1301721239 HRGDABMUEUREJO-UHFFFAOYSA-N 432.532 2.471 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1302169511 QVKOMPLQMUBVQF-FQEVSTJZSA-N 442.589 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1302220491 DDMPZXCTBIAMEO-ZWKOTPCHSA-N 444.536 2.078 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[C@@H]2COCCO2)c1 1302990201 WYKVIDOGUPKSGS-IAGOWNOFSA-N 437.422 2.390 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C#N)o1 1306246170 SAAGAHFESKGLND-GOSISDBHSA-N 436.472 2.190 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 1312663741 YQRDYPIPWCUWFR-QZTJIDSGSA-N 439.520 2.242 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)OC 1316293859 LATQNBPFVOXEQQ-LMNJBCLMSA-N 440.548 2.235 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@@H](O)C2)CCO1 1316535168 FCMQOFRJKQGCOV-NWANDNLSSA-N 435.326 2.316 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2cnn(C(C)C)c2I)c1 1355307626 JPWGPKBSIBRZPE-UHFFFAOYSA-N 436.253 2.418 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1358875227 LGGHZPJEDUZPMN-KDOFPFPSSA-N 437.342 2.047 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358955861 VCHAGYDTEPNUMZ-OAHLLOKOSA-N 441.479 2.490 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1358967970 WSHWIOFLYSAJBL-IBGZPJMESA-N 448.614 2.353 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358974550 JGPVSAYHDMZKLF-IBGZPJMESA-N 442.445 2.153 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1358995945 LXXWMXZSRWKOPW-UGKGYDQZSA-N 425.558 2.435 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccnc1)C(C)C 1359024490 OFPTWXJKNXGCSK-VQTJNVASSA-N 445.589 2.101 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(NC(C)=O)nc1 1359025281 JDPVPDIWHZRJMD-UHFFFAOYSA-N 436.491 2.496 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCSC1 1359027001 RYJHHKVLYFECNP-JOCHJYFZSA-N 430.574 2.428 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CCC=CO2)n1 1359027355 GJMOLEIZGHLWLS-FQEVSTJZSA-N 435.532 2.459 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1359133046 KQBZHIPHYYVYQB-QFBILLFUSA-N 427.505 2.085 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 1359292049 GXEQQNKHUFUXLQ-UHFFFAOYSA-N 438.866 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1359298018 JYLSFHBYVXCFQY-KRWDZBQOSA-N 425.493 2.062 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(Cl)c1 1360680449 BWUDAEHIHYLYAV-SJCJKPOMSA-N 426.905 2.032 30 10 IEEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 1448842170 XESTZALFHROWNP-LJQANCHMSA-N 432.933 2.348 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CC1 1468540306 XGJZKHLNQWTYHY-WOJBJXKFSA-N 437.475 2.351 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1469876128 BKCHCMXBAOHFQH-INIZCTEOSA-N 447.536 2.267 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)CC2=O)cc1Cl 1471525337 HVJQECFBIUVWOI-CABZTGNLSA-N 425.741 2.239 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC2CCOCC2)n1 1492746225 LKWOUXMMWVOEHW-NRFANRHFSA-N 431.516 2.167 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1494236311 OIGYNGJIUBCMLZ-QFBILLFUSA-N 446.502 2.398 30 10 IEEE CS[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1505174221 ZIDCTVNULAOUHS-WBVHZDCISA-N 444.609 2.164 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1507516666 LZYCYCTWLHIKKG-CVEARBPZSA-N 427.484 2.189 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507636616 BJPIDLBOABHNNM-VQTJNVASSA-N 428.558 2.367 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCN(CC)CC1 1507671910 SGGMFUGAZLSFLX-JOCHJYFZSA-N 433.604 2.000 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(OC)CCCCC2)CC1 1507716738 UDCRWAQEAYGBMK-UHFFFAOYSA-N 430.597 2.301 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cnn(CCOC)c2)CC1 1507721384 NVUOHRZIFXXIOV-UHFFFAOYSA-N 439.951 2.245 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1507801912 YXQLJUNNHKCYOI-YLJYHZDGSA-N 425.537 2.163 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507845024 VMVZINCUUJXENP-JKSUJKDBSA-N 445.486 2.270 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1508185435 HTYNNOJYAOSYJI-IBGZPJMESA-N 449.559 2.180 30 10 IEEE CC(C)(C)[C@@]1(C)CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1508471485 VBGIHEJTDSYWKM-IBBQJSRESA-N 428.537 2.323 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1510327410 WETIWARUYUYKHD-QZTJIDSGSA-N 429.546 2.255 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1515869673 GDVXKMFDLNSQRU-RTBURBONSA-N 434.610 2.185 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@H]1CCCO1 1519436742 OMIYLYHVNZNVTQ-NYUBLWNDSA-N 437.516 2.030 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H](C)NC(=O)OC(C)(C)C)c1 1526861407 ZFZMVCSKBSLXAF-KRWDZBQOSA-N 429.517 2.163 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc(OC)c1OC 1536334858 BWIYRHDTKZZJMW-NYHFZMIOSA-N 449.504 2.419 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539133819 LZQFDSMVBGFWHF-UHFFFAOYSA-N 436.516 2.100 30 10 IEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1539196179 FBKFEOCUJLPRRI-UHFFFAOYSA-N 434.587 2.473 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539220290 HYTJYLUFIBZBFI-ZWKOTPCHSA-N 440.635 2.188 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1539370717 FBXLASHUDLOVLY-SFHVURJKSA-N 433.553 2.473 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2(C)COC2)n1 1539424535 SDMBCJRZMFUWGS-LJQANCHMSA-N 428.537 2.039 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C)cc(C)c2)CC1 1539476773 DVUDLWDSOXYCMP-OAQYLSRUSA-N 448.571 2.055 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1539666929 CCKNNVVRSSASPH-SFHVURJKSA-N 433.578 2.465 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nc(CC)ns2)CC1 1539779166 PFXXRDFCTTUCOR-AWEZNQCLSA-N 441.989 2.495 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1540006469 UNXQGQPHEMWRNN-OAHLLOKOSA-N 449.537 2.093 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1540033213 AYRAEZBYELZURY-OAQYLSRUSA-N 449.559 2.016 30 10 IEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NC)CC1 1540039917 JVGKVYSONYBQHT-UHFFFAOYSA-N 437.548 2.335 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540865650 NLJXTNVBJXBQST-UHFFFAOYSA-N 443.529 2.189 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC(C)C 1540869442 MZUIFDZNRNKNPB-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1540871559 OFOSMWJCDKPECF-UHFFFAOYSA-N 439.564 2.337 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1540873041 KREQIHCFOPUJMK-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE Cc1ccccc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1542763294 VFBBQGBJPIBLPR-HNNXBMFYSA-N 428.518 2.346 30 10 IEEE CN(CCN1CCOCC1)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1542815301 HROUYOQEABZNJX-FQEVSTJZSA-N 428.533 2.183 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1544747290 GXGUTNDAUVLJAS-MRXNPFEDSA-N 429.546 2.399 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 1556412203 RJNLUYGAQWRFRD-OAHLLOKOSA-N 439.455 2.482 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)COc2ccc(F)cc2)ccc1Br 1561293205 DWMNBVDJMXGEHL-CYBMUJFWSA-N 429.267 2.178 30 10 IEEE CC[C@](O)(CCC(F)(F)F)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564690532 TXBAPVPMXJSXJR-LPHOPBHVSA-N 426.439 2.442 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1570419679 GVWXHQKBQDUWKE-QXMHVHEDSA-N 431.470 2.079 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4CC[C@@H](C(F)(F)F)NC4=O)CC3)n[nH]2)cc1 1583847908 IBZMYTQIRBJCQS-WBVHZDCISA-N 446.433 2.054 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 1585594465 XYSDUPJPMMFVCE-UHFFFAOYSA-N 438.546 2.189 30 10 IEEE CCOC(=O)[C@H]1CSCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1586758751 VQWZUIZFXZCZQR-MRXNPFEDSA-N 438.347 2.264 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC1(C#N)CCCCC1 1587539283 ZKUHGCFURBRWHO-UHFFFAOYSA-N 448.589 2.225 30 10 IEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1587766453 VAWBZTLWLLOJGL-UHFFFAOYSA-N 430.553 2.132 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(SCC)c1 1588083235 CQONWWSFXPYPKV-INIZCTEOSA-N 431.587 2.121 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1588083787 JYLLDPFLKXBCJZ-HNWIBAKRSA-N 442.523 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC1 1588892117 XIZBKNUCVYBCSM-UHFFFAOYSA-N 435.507 2.234 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593834089 IAPXTBPRXJOTDN-UHFFFAOYSA-N 446.939 2.280 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1595418711 XBKNWFVZSQROHC-UHFFFAOYSA-N 436.491 2.317 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCO1 1595854806 NRTDXESVMGQNRG-GOSISDBHSA-N 426.550 2.455 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncccc1N(C)C 1596848652 ASIFDQATAKNHEW-HNNXBMFYSA-N 438.561 2.375 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1611301821 ARTSHOGUEMKIFU-QGZVFWFLSA-N 444.609 2.462 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)COCCO1 1611802035 XMSLAZGCSZWDHS-VQIMIIECSA-N 437.422 2.390 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@]3(C#N)CCc4ccccc4C3)CC2)cc1 1616666392 WYHCQMDIUHKKNP-SGAGCNABSA-N 444.535 2.467 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1617115630 NVJAFGLYEMDCMB-QFIPXVFZSA-N 440.504 2.186 30 10 IEEE CN(c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1617734492 WSWNGVWCOLFJTD-ITZAQCPESA-N 442.907 2.350 30 10 IEEE COc1ccc([C@@H](C)CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1619154113 AKQJFABOQHOPJU-PXNSSMCTSA-N 438.532 2.332 30 10 IEEE COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1619602335 DZPFJDLVKCYWFN-QHAWAJNXSA-N 441.532 2.283 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2c[nH]c3cccc(C#N)c23)CC1 1625293639 IDCBISVUXAUTSC-UHFFFAOYSA-N 429.546 2.307 30 10 IEEE C=CCc1cc(C(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc(OC)c1OC 1638590189 DTNMWKQGQNSVQG-BBRMVZONSA-N 436.530 2.015 30 10 IEEE C[C@]1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)OCCc2ccccc21 1643575422 ALTRVPKEHCCHHO-JOCHJYFZSA-N 427.526 2.110 30 10 IEEE CCn1c(CN(C)C[C@H](O)c2cccc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 1643726085 VLBBWSCKOWTIPI-NRFANRHFSA-N 441.557 2.344 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(=O)OC)nn2)CC1 1650899711 QCMIVCLYAOQPCR-INIZCTEOSA-N 447.536 2.161 30 10 IEEE CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1653029373 MSXXXQMZOWNYOT-NRFANRHFSA-N 435.546 2.086 30 10 IEEE C#Cc1cccc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 1670092335 CZIHXLZCADRNTD-UHFFFAOYSA-N 442.541 2.077 30 10 IEEE C=CCn1cc2ccc(NC(=O)NCc3cccc(S(=O)(=O)NCCOC)c3)cc2n1 1673220311 FKYIQUXGZWNVED-UHFFFAOYSA-N 443.529 2.469 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1674514078 FQUXPKWCRHTWHL-CQSZACIVSA-N 434.547 2.342 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1678937519 LEAWVMAYLDXJSQ-QAPCUYQASA-N 430.448 2.350 30 10 IEEE N#C[C@]12CN(C(=O)N[C@H]3CSc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1682193910 JTVKLKDBLXPJBI-YNZJMPHRSA-N 442.360 2.176 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1689827997 KKSWRNZXPGEXFB-HOTGVXAUSA-N 437.541 2.343 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1689901509 LZEBSTXFSAOAGR-UHFFFAOYSA-N 428.581 2.287 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689988321 MRZSHSHEEYGOJD-QUCCMNQESA-N 433.622 2.150 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCCC1 1690017515 GBGXEEPBQLNPFW-OAQYLSRUSA-N 446.603 2.257 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690361072 GIIFYVSHCHSKAS-SQNIBIBYSA-N 437.972 2.497 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690669717 MWEZFXBTXZBELC-UHFFFAOYSA-N 438.576 2.487 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691545670 FNVHSRNCUOWOPW-UGKGYDQZSA-N 439.520 2.437 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCNC(=O)C(C)C)CCOC1 1696053392 BZZJWNIFZRYINP-JOCHJYFZSA-N 432.569 2.223 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1696513081 UWXTTZIXMGNIAA-FZYZMVIOSA-N 442.589 2.326 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(F)(F)Br 1698245650 HNPMVQGBZGVSTP-MJVIPROJSA-N 438.248 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCCc1ccccc1 1705495780 VJOOVHYHCPIXBZ-AZUAARDMSA-N 430.574 2.288 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)CC1 1705512356 AFUVACJTEOJSGX-UHFFFAOYSA-N 425.489 2.408 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OCC)CC1 1705520121 IWJUXLJYKHDNIA-UHFFFAOYSA-N 444.561 2.352 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705568584 QPBAXOXNZAWJNK-RTBURBONSA-N 446.573 2.136 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C(=O)NC 1705626577 BHVXGKMTFTXLTD-UHFFFAOYSA-N 436.516 2.458 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705641316 ADKTURAVXPREEL-XZOQPEGZSA-N 437.588 2.260 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705652805 OBZZFFMUMMVRAA-KBPBESRZSA-N 431.484 2.037 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705654770 SPMXHHKYOSROAW-SFHVURJKSA-N 435.513 2.453 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705908565 CYTUBOIKSMYGIW-JRBPQWBISA-N 431.581 2.362 30 10 IEEE CC[C@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1708326907 HDXFIVHVONWUGA-JTSKRJEESA-N 448.568 2.487 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1709843491 YGRYEPCJCOZKKC-UHFFFAOYSA-N 426.521 2.178 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722317512 GVXRQXYMGMJFJV-INIZCTEOSA-N 426.487 2.277 30 10 IEEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722324856 AAHUHUZSXWTOST-QGZVFWFLSA-N 426.908 2.485 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ncccc2F)CC1 1722338524 JKVCIYATHGBOJH-UHFFFAOYSA-N 425.512 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCOCC1(C)C 1722385800 OZYCNZGZCKLPOB-UHFFFAOYSA-N 435.572 2.256 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nnnn1CC1CC1 1722391400 LZOVQXCFIKOPAF-KRWDZBQOSA-N 448.506 2.465 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C2CC2)N(C)C)CC1 1722435115 BOQKJZASQKZXOG-HXUWFJFHSA-N 438.576 2.058 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCOC[C@H]2CCCO2)CC1 1722444218 HQCJIBCENJAHME-LJQANCHMSA-N 431.581 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CC(C)C)CC2)CC1 1722447710 MVFNZVGHESMUAH-SFHVURJKSA-N 426.565 2.021 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)[C@H]1CC 1722453062 VUMQKGHANBFWAP-LJQANCHMSA-N 435.557 2.416 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1722462688 NUBIRBISTJPLJR-UHFFFAOYSA-N 432.619 2.305 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1722474928 QUDSEVJCZISQFV-AUSJPIAWSA-N 449.602 2.385 30 10 IEEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722602350 XWUQNYGXDKBHJD-LJQANCHMSA-N 429.521 2.270 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1722649632 ACSWLMIMZMEHBN-MRXNPFEDSA-N 425.459 2.097 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O 1722865866 LDPDFSBBTWMQOC-LBPRGKRZSA-N 426.340 2.348 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3O)C2)n1Cc1ccc(C#N)o1 1727205654 OJIOEIOCXJXNSY-UHFFFAOYSA-N 435.488 2.373 30 10 IEEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1728227179 HGQPYMRUURRJFB-UHFFFAOYSA-N 431.500 2.327 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1729637090 FPLAJMREPGAENY-JXFKEZNVSA-N 430.459 2.203 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CCO1 1730608716 FHLALCYWCDYCGP-NRFANRHFSA-N 440.548 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1740534378 HEHQJDIEVZKQFJ-ZWKOTPCHSA-N 442.539 2.179 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1740557432 NBNVWEVBXXRUFB-GFCCVEGCSA-N 446.360 2.171 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740594706 AKHYMSZXWHQHHF-JKSBSHDWSA-N 443.573 2.456 30 10 IEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740626596 MGZFFCRIYJAGOK-FXAWDEMLSA-N 444.557 2.463 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1740628461 XWVGXXXUYXOKDA-MOPGFXCFSA-N 438.594 2.004 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 1740690246 HUYMPPXKNNNDOP-MBSDFSHPSA-N 443.523 2.118 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1740696510 VZNOAXWCZORMCR-RTBURBONSA-N 425.533 2.013 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C[C@H]1CCCO1 1740957382 LWTUXFFVQUUIEE-HXUWFJFHSA-N 435.532 2.438 30 10 IEEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1741005703 OPDDSOZGKAPCCK-SFHVURJKSA-N 431.562 2.036 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)C(C)(C)C 1748671536 KENMHZZVWJLBSM-NMEJYPJZSA-N 443.621 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1748687996 WEHLAQIATFEJDU-CYBMUJFWSA-N 427.983 2.231 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CCc2ccccc2)C1 1748732238 WTKRGRMQFBRKFG-AZUAARDMSA-N 445.589 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cccnc1 1748886218 ASCJPQNZWUNPCL-UHFFFAOYSA-N 437.507 2.293 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCN2CC)CC1 1748999281 NWIPOJUPJKGONX-FQEVSTJZSA-N 438.576 2.105 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1749000316 RGKMOIMQNHVPAN-UHFFFAOYSA-N 442.530 2.234 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccc(F)cc2)CC1 1749001515 VCOYGZQEGXCCFD-OAQYLSRUSA-N 426.540 2.156 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)C 1749037948 KYJKCDWAEWFVAY-GOSISDBHSA-N 429.546 2.118 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1749066432 JXDZGVPKBZQJIW-DYESRHJHSA-N 437.610 2.429 30 10 IEEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749443167 WPRSOWALHKVZIZ-UHFFFAOYSA-N 426.540 2.375 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1749597224 CAMVAYOJUJKMGP-GOSISDBHSA-N 439.495 2.241 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1 1749689752 JUCQKAGKSKURIQ-SFHVURJKSA-N 427.505 2.284 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1760121644 XIHXGNKAUHGLSU-QAPCUYQASA-N 430.503 2.440 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1760178489 PIFMFUKPFBBUBP-SFHVURJKSA-N 437.466 2.422 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1760327863 NCWZIZZQGDXFLA-QZTJIDSGSA-N 439.626 2.322 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760356273 JRKKPXDWNOQONO-SJORKVTESA-N 427.505 2.098 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760358890 BEIFWQCCXLVMST-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1Cc1nncn1CC 1760479588 UJYKNUXQRODRSC-UHFFFAOYSA-N 428.504 2.403 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1760490182 RDCPEDWFXJSIDL-UHFFFAOYSA-N 442.487 2.128 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1763081557 IDCCSVNLRKRFCE-APFMSCDFSA-N 449.540 2.285 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1766441472 FEUULTFLPATHBN-HXUWFJFHSA-N 436.541 2.468 30 10 IEEE CC(C)(C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1851225342 PGEPQPDRCVBMCE-FQEVSTJZSA-N 433.574 2.073 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2COCC2(C)C)cc1 1851357755 SYNHSBHNRZYPNP-FQEVSTJZSA-N 443.525 2.051 30 10 IEEE COc1ccccc1-n1nncc1CN1CCN(CC(=O)Nc2ccc(CC#N)cc2)CC1 1851916777 VSJNZEGDOOWRPM-UHFFFAOYSA-N 445.527 2.098 30 10 IEEE CC1(C)Cc2cccc(OCC(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2O1 1852124694 DSMDGJPJRHKELR-UHFFFAOYSA-N 436.512 2.411 30 10 IEEE COc1ccc(C(=O)CCC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1F 1852234629 GWMGVFMIBIXTMJ-UHFFFAOYSA-N 440.475 2.429 30 10 IEEE N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccc(Cl)cc2)c1NC(=O)C1CC(F)(F)C1 1852349208 YYLOJRTUPSUHTO-UHFFFAOYSA-N 445.817 2.381 30 10 IEEE N#Cc1cnn(-c2ccc(Cl)cn2)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1852846733 KYNQTXCNFKFSAJ-DLBZAZTESA-N 440.891 2.172 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@]12CCCC[C@H]1CN(Cc1ccccc1)C2 1853193319 VTHYJCPTPQBKBZ-YADARESESA-N 436.512 2.365 30 10 IEEE Cc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)c1 1855740358 UIHGIBMEQOFLBH-KRWDZBQOSA-N 425.510 2.248 30 10 IEEE CCOC(=O)CN(C1(C#N)CCCC1)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 1857955813 IHFFYBWJEYRVFS-UHFFFAOYSA-N 433.530 2.376 30 10 IEEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 1858111417 NIVIVRMXKFHZLV-INIZCTEOSA-N 430.505 2.424 30 10 IEEE CCOC(=O)C1CCN(C(=O)C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)cc2)CC1 1860635135 SZNWLDJPOXUIAG-FMIVXFBMSA-N 444.528 2.318 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCOc1ccc(CC)cc1Br 1861689930 KOFAWJFJBBYELA-WBVHZDCISA-N 439.350 2.435 30 10 IEEE C=CCNC(=O)[C@H](C)NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 1873840969 KLIASEMJGIEPFU-KRWDZBQOSA-N 425.533 2.035 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1 1874235394 HAHPFZXCGSFNIW-LSHDLFTRSA-N 443.485 2.127 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)cc1 1891856349 GDUVZBDOHGBZBH-KRWDZBQOSA-N 428.514 2.135 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](O)C#CC1(S(C)(=O)=O)CC1 1902431033 LMJLURXVYWVHLV-RTBURBONSA-N 437.558 2.428 30 10 IEEE C[C@@H]1COC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)N1C(=O)OC(C)(C)C 2010544683 VLBYQMJYWNPMFH-HOJAQTOUSA-N 428.533 2.247 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060641459 JQHCMHHGIQEBTJ-UKRRQHHQSA-N 432.330 2.265 30 10 IEEE Cn1nnc(Br)c1COc1c(N)cc(C#N)cc1I 2089736475 OIWFMNRBDOYFBI-UHFFFAOYSA-N 434.035 2.215 30 10 IEEE CC(=NO)[C@H]1CC[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164486808 HVMAPBVYWKXGQT-AVYPCKFXSA-N 439.509 2.339 30 10 IEEE Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)cc1C#CCO 2203783652 PQBQTNIVHMBPLE-UHFFFAOYSA-N 426.494 2.075 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224103518 VVIVTAPPHIELHR-QFIPXVFZSA-N 433.358 2.237 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254792110 UILVCFMWKNNLOC-KRWDZBQOSA-N 432.374 2.344 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627551 VATUONHSZNLANE-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CN(CC(C)(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255629118 REKNUGYHFJIESS-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255671926 YNJVQQBBLPVOPB-KBPBESRZSA-N 434.346 2.131 30 10 IEEE CCN(CCNC(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2255815569 PMWLOJFNZCSAMK-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CC1(C)OB(c2cnc(N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2256889866 SMTBCQUTEPHFCK-GFCCVEGCSA-N 431.239 2.415 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917433 VNFDLBUSPHGUNT-PBHICJAKSA-N 429.278 2.367 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2259355132 KJJLXESOEYTPJO-HOCLYGCPSA-N 431.342 2.414 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)co2)OC1(C)C 2267011184 AOABEBLCVOCPDM-PMACEKPBSA-N 438.333 2.304 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)CC2(C)C)n1 2267171507 LCGQYWPIUVIFGK-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2267173887 AZCVJMSJOVCMIR-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2267190645 RHEGSIJAAQLWLD-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267229756 DBMSJJIEGIEAII-MRXNPFEDSA-N 448.369 2.252 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2267231909 JQJZLVVVJOINKC-ALXJQNPVSA-N 445.369 2.402 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C1 2267505498 JMHRIUSKQBKLTL-BXUZGUMPSA-N 444.259 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267517914 AJERERYMTLWSDI-AWEZNQCLSA-N 446.357 2.038 30 10 IEEE Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528573 SCNWQDYZALZTSQ-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 2267599682 TXMLCVGLSWLUTK-GOSISDBHSA-N 448.369 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C(=O)O)C1 2267841241 MELCLKNIEIFRJN-QGZVFWFLSA-N 447.341 2.078 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCOC1 2272569529 QEAWGMWDLOGTGZ-HNNXBMFYSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339995 MKZWICACDQJZOU-CHWSQXEVSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2300340671 UROCIMORAROZLN-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2302570828 DBDRIQARQVEEKQ-XMTFNYHQSA-N 437.585 2.452 30 10 IEEE COc1cccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)c1 2326736270 IIWRSQMRKOQPSP-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccccc1[N+](=O)[O-] 2328261262 NFDYAHMYBBYQRV-UHFFFAOYSA-N 442.457 2.234 30 10 IEEE O=C(Cc1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)NCCc1ccccc1 9860465 CRHIZOMSEPBTPR-MOPGFXCFSA-N 429.567 2.078 30 10 IEEE N/C(CCCCNS(=O)(=O)c1cc(Br)ccc1Br)=N/O 96710907 YFJXICSSSWHKIT-UHFFFAOYSA-N 429.134 2.407 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)ccc1Oc1ccccc1 426932781 PDJXTNOTECQVMF-FQEVSTJZSA-N 448.479 2.185 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C#N 461202039 ZRPOBQLLIGHELF-AWEZNQCLSA-N 447.586 2.026 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 462474312 MNUHKMISKMEATD-UHFFFAOYSA-N 429.565 2.337 30 10 IEEE N#Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)c1 477012590 SYGWBGNJRRQCFG-UHFFFAOYSA-N 432.523 2.120 30 10 IEEE CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 482725275 VHNSMSSQHDHOBL-MOPGFXCFSA-N 434.562 2.168 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508686261 FGSCPERWBKEFPI-GOSISDBHSA-N 441.532 2.127 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)NC(C)C)CC1 508937526 YATZXODMPMDILN-UHFFFAOYSA-N 437.592 2.064 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)Cc3ccc(C(=O)OC)o3)cc21 526898120 OGKXNUJGYFFZOD-GNDSEDMPSA-N 431.466 2.498 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccccc1 527277800 QYRYUTNHGLPZNT-UHFFFAOYSA-N 449.580 2.011 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537247474 FJNAVTPSCAVQEO-ICSRJNTNSA-N 445.633 2.330 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)c1 544856193 KMYWFCVDTXWBCT-SFHVURJKSA-N 436.516 2.081 30 10 IEEE COC(=O)c1c(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)sc2c1CCC2 544881567 IFKRALOOOSKGCH-UHFFFAOYSA-N 425.514 2.051 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4cc(N5CCN(C)CC5)ccn4)no3)cc2C1=O 546506682 OLLYUJDPXLUKKV-UHFFFAOYSA-N 430.468 2.332 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCCO1 555448116 HUUYRAZXGAGLLR-LJQANCHMSA-N 432.532 2.446 30 10 IEEE C=C[C@@H](CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 555521552 PJSQFGJLDHMUST-PMACEKPBSA-N 435.572 2.309 30 10 IEEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1=O 556899656 RTWLYOJDOFWFKR-MRXNPFEDSA-N 427.457 2.499 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 574175375 RLUXYDMBJXXSJG-FPOVZHCZSA-N 425.533 2.394 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N3CCCCCC3)cc21 586314552 PUKMEPXCWPTFSA-DFYVNMARSA-N 432.542 2.321 30 10 IEEE COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 609380467 NYSQMXDJORFCRU-UHFFFAOYSA-N 425.395 2.420 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727414959 FUVHGNFGYJRTGZ-UHFFFAOYSA-N 429.448 2.045 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)cc1 746447413 XZSPYRKSDJRGAT-CQSZACIVSA-N 426.477 2.247 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCN2C(=O)Cc3ccccc32)C1=O 750908679 BHNUMWHAVBHAJD-IBGZPJMESA-N 447.520 2.215 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)CC1 771963601 OICHORFOFAYHTM-PGMHBOJBSA-N 435.524 2.388 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](OC)C[C@@H]3CC(=O)OCC)ccc2c1=O 775975740 QYGQJINVAMRQAU-CABCVRRESA-N 431.514 2.054 30 10 IEEE COC(=O)[C@H]1CCC[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 785945127 CFIIMIDCDMYGOX-ROUUACIJSA-N 434.514 2.234 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cc1 786266089 HTTBLWAZTXXYDG-UHFFFAOYSA-N 427.482 2.248 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3cccc4cnccc34)c2C)n1 788810809 JVLGMHVERMALCN-UHFFFAOYSA-N 429.484 2.242 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 792746963 KHJCMZDXVZEIGX-HKUYNNGSSA-N 425.558 2.360 30 10 IEEE COC(=O)c1c(F)ccc(S(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1F 802804033 WGVOCQRKUZITJR-UHFFFAOYSA-N 449.391 2.434 30 10 IEEE Cn1cc([C@H](O)C[C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2C#N)cn1 805051046 FXQVAWGOBHJCND-XJKSGUPXSA-N 439.335 2.331 30 10 IEEE C#CCN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCS(=O)(=O)C1 807252926 VMOQAZOMDYWBSF-CVEARBPZSA-N 426.336 2.127 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 808790674 ZBMNWHDEMXPVLA-OKZBNKHCSA-N 447.605 2.444 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 811238860 FXSASROSDMVCRS-BXKMTCNYSA-N 435.480 2.331 30 10 IEEE Cc1c(NC(=S)NN=Cc2cnn(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C 916542020 QNBXPUWWRKXIEX-UHFFFAOYSA-N 432.513 2.386 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 917867422 WDJUEDRODBJINE-UHFFFAOYSA-N 442.726 2.275 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1O 1084041541 KHXUTUSIMXYTLO-UHFFFAOYSA-N 449.443 2.161 30 10 IEEE Cc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)n1N 1084254503 KEHRDQOQQAABSW-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(C)c1C#N 1124726117 MXKVOBDCIRBUOG-UHFFFAOYSA-N 441.509 2.093 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 1136672415 MXZNQDHDLYTIQG-ZPHPHTNESA-N 433.390 2.206 30 10 IEEE C#CCN1CCC[C@H]1C(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1139224015 UCHRQFPETWHVRA-KRWDZBQOSA-N 428.334 2.071 30 10 IEEE COc1c(F)cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1F 1141095568 HDGRIIXSBKPZOJ-JTQLQIEISA-N 425.413 2.159 30 10 IEEE CC(C)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1(CO)CCCC1 1143901806 GGKNGZMZLHZKRF-ICSRJNTNSA-N 426.517 2.457 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)s1 1147055667 ZHKZTZWPAUHLPB-PKOBYXMFSA-N 434.583 2.380 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OC 1151611790 XOARGXCTNWFSCT-MRXNPFEDSA-N 431.493 2.034 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)CC1 1152967985 WQFUKFNFHZGZJG-OBGWFSINSA-N 433.530 2.040 30 10 IEEE CC(=O)Nc1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1156093555 ZNIYOXOUICDJCS-UHFFFAOYSA-N 428.290 2.427 30 10 IEEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)cc1 1167391265 GASCMOQUZHXEEJ-UGKGYDQZSA-N 437.540 2.472 30 10 IEEE C#CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)CC1 1170249024 HQFRHNPKNRTXCQ-SFHVURJKSA-N 434.334 2.328 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C(C)C 1211223142 RCUPLBKNHKCFJU-JOCHJYFZSA-N 446.617 2.471 30 10 IEEE C#CCCN(CCOC)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1222170739 MAVJWTBBWZHVGY-UHFFFAOYSA-N 431.514 2.459 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCNC(=O)CCCc3ccccc3)C2=O)cc1 1234023156 FHHIVIXAEVRMOK-QFIPXVFZSA-N 447.539 2.492 30 10 IEEE Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)NCc3nc(C#N)cs3)C2)cn1 1251296299 RTQQPLAMZQEHQU-KBPBESRZSA-N 430.534 2.405 30 10 IEEE CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1272569658 CETBQFIPUJEYNV-QGZVFWFLSA-N 426.560 2.049 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCNC(C)=O)c1 1286311674 PARJAAZMMABGNP-HXUWFJFHSA-N 438.532 2.102 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccn(C)n2)CC1 1286494025 KVWYYUGYOLKMOX-UHFFFAOYSA-N 445.571 2.201 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)CC1 1286637479 FVCZMAYXYPDWON-OAHLLOKOSA-N 436.557 2.298 30 10 IEEE CC(C)c1nnc(N2CCC(CN(C)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1287196437 KRKVEKHVUWJGHX-XDOYNYLZSA-N 443.596 2.485 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1288144138 BTWRJBHNZRPZKW-SFHVURJKSA-N 444.532 2.047 30 10 IEEE N#Cc1c(CCCNC(=O)c2ccccc2Cn2ccnn2)nn(-c2ccc(F)cc2)c1N 1290811938 AKXMFOUQAMVKBQ-UHFFFAOYSA-N 444.474 2.468 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCNS(C)(=O)=O 1291697830 YUKHVVMNGOSFFI-UHOSZYNNSA-N 430.578 2.474 30 10 IEEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 1297321583 GBCSNUPGJAFHFC-SFHVURJKSA-N 448.932 2.257 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300490694 BRUAYWNZYDEKTQ-IBGZPJMESA-N 444.605 2.006 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCSC1 1300657260 JANXKRRFOUHIFD-INIZCTEOSA-N 434.587 2.188 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)[C@H](C)CC)CC1 1300691409 XMRPVGOBCTVUFL-LJQANCHMSA-N 438.576 2.202 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1300900250 OLHFKQOVOQKZPJ-CVEARBPZSA-N 435.550 2.131 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccs2)CC1 1300996392 GBJURLDKMMKCPB-UHFFFAOYSA-N 430.578 2.381 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301135868 URCWLNUHVAKSKQ-IBGZPJMESA-N 430.597 2.275 30 10 IEEE CCOC(=O)[C@@H](NC(=O)COc1ccc(C#N)cc1OC)[C@@H](O)c1ccc(Cl)cc1 1301199633 CKNUQOZBXYNKRF-PMACEKPBSA-N 432.860 2.381 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301596456 PPCBONOFZHHNGY-QGZVFWFLSA-N 434.610 2.126 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccco1 1302686099 YGQZJKIOHWLNKZ-UHFFFAOYSA-N 434.504 2.018 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCC(O)CC2)cc1OC 1315382531 HBQJQAIEYZBAQT-KRWDZBQOSA-N 442.564 2.405 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1319810974 DBTAWKXHIRYCCA-UHFFFAOYSA-N 433.497 2.305 30 10 IEEE CC1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1320203276 QPPGGUJUKUVMQA-INIZCTEOSA-N 425.938 2.025 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC=CCO1 1358895094 CLBRDRGPVRUGBI-FYYLOGMGSA-N 434.588 2.446 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC[C@@H]1C 1358948631 GZJFHNQFLCQQHW-SFHVURJKSA-N 446.596 2.183 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2nccn2C(F)F)CC1 1359033845 TUYASTKNXOJSOO-UHFFFAOYSA-N 427.459 2.349 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359168006 DVXJWSKYHYKQDC-GOSISDBHSA-N 427.530 2.320 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359186711 QNZDMHSZTWFOOM-QGZVFWFLSA-N 445.593 2.342 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359227001 QQJXKIVUWRFDNJ-SJLPKXTDSA-N 444.532 2.446 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1359323675 URWNZDCDTTXZGN-YADHBBJMSA-N 440.592 2.402 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)C1 1360781238 UOKPRFLCCKXWTC-IFXJQAMLSA-N 431.447 2.480 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 1452492989 APCSXHDDFSETIN-IBGZPJMESA-N 430.505 2.103 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)COc1ccc(C#N)c(Br)c1 1456890267 WKJUMYLMWHLYHL-CQSZACIVSA-N 433.262 2.334 30 10 IEEE C[C@@H]1C[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1c1cnn(C)c1 1457094413 XMLHPCWNEFOMHW-PVAVHDDUSA-N 432.525 2.007 30 10 IEEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1460934488 DRHNUMCARDITMZ-FQEVSTJZSA-N 446.425 2.479 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1464925243 NGPPDZWJMQADMG-IVFAQJDTSA-N 437.418 2.297 30 10 IEEE C#C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCCO1 1467293756 OFBCRDVTFHRBLW-FHWLQOOXSA-N 430.501 2.310 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)CC1 1471051706 UQEKCACJVOQLHX-FUHWJXTLSA-N 434.518 2.455 30 10 IEEE C#CCC1(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCOCC1 1471932216 VFCMQEUGAWOQNL-QHCPKHFHSA-N 445.519 2.189 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(Cc3ccc(Br)cc3)C2)cc1 1472197183 IJUXJRQMKOHHLS-UHFFFAOYSA-N 448.342 2.300 30 10 IEEE CCSCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503349599 ILPLEEXNIHMGDR-LJQANCHMSA-N 428.610 2.460 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1507628235 HISYBKCXAKAANJ-SFHVURJKSA-N 431.562 2.030 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507634844 QBWVNAHRQPXZPF-REWPJTCUSA-N 444.601 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1CCC(=O)N1CCOCC1 1507676099 JDIMUMVSBONUGI-UHFFFAOYSA-N 449.555 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507738747 XGBKRIZGOFIRCS-XDHUDOTRSA-N 436.560 2.165 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1507841568 XIVYRSIORHQXOZ-SFHVURJKSA-N 427.505 2.371 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1507958065 ZLXCFISCAXYOLT-HSZRJFAPSA-N 427.549 2.415 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNC(C)=O)C1 1508075075 WBMKZVJZJWFLIQ-QGZVFWFLSA-N 436.516 2.346 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1508098248 NWWZICIFGNMSFQ-VTQISEBXSA-N 431.562 2.367 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(SC)CCN(C)CC2)CCOC1 1516129026 GPUWRCRPXYMTLF-DYESRHJHSA-N 436.626 2.496 30 10 IEEE COC[C@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518736042 ZCOZXMSMOMMCFD-QRVBRYPASA-N 426.496 2.242 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1519506103 FXLRQSISZHJOBP-KRWDZBQOSA-N 443.554 2.111 30 10 IEEE C=CCCOCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1521091807 QTSHGKZHQVEAST-NRFANRHFSA-N 428.526 2.043 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2=O)cc1Cl 1521127916 BLUSJTLKLXOMHW-DLBZAZTESA-N 443.935 2.361 30 10 IEEE C=CCn1cc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)nn1 1526049874 PLCTVBAQDMVEDP-HNNXBMFYSA-N 437.287 2.292 30 10 IEEE N#Cc1ccc(C2(NC(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CCOCC2)cc1 1534972569 JTXNCHNXAQRUDJ-INIZCTEOSA-N 445.566 2.281 30 10 IEEE COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)cc1 1537110307 WSHUAWBWDRIHKO-KRWDZBQOSA-N 442.541 2.143 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)CCCC2)cc1 1538187676 XOFHYRQPNLQBMX-HXUWFJFHSA-N 431.558 2.023 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1538547148 BPRFLFGXAOMAQJ-PMACEKPBSA-N 428.533 2.132 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1539196643 SKZOHTNCSDHKTJ-ZDUSSCGKSA-N 444.458 2.098 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)NC(C)C 1539401093 SEKOVPCCWGJMPR-UHFFFAOYSA-N 434.338 2.318 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2Cl)CC1 1539481764 ODHOVBGIFUYCKN-SFHVURJKSA-N 427.936 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C)CCC2)CC1 1539490450 VPULEQMURPOVLP-OALUTQOASA-N 429.565 2.158 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1539527130 UXANHFSZLAICJQ-INIZCTEOSA-N 429.521 2.174 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1540005623 MPVHFJZESRSGNX-IAGOWNOFSA-N 425.599 2.450 30 10 IEEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1546382357 NTQUSYKAFFWHCA-ACJLOTCBSA-N 437.595 2.086 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCCN2CCOCC2)CCOC1 1547884555 IGYMHCZTPQGJRC-QHCPKHFHSA-N 446.596 2.173 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1554149853 AWBXMFNCHXFMBD-NRFANRHFSA-N 437.592 2.316 30 10 IEEE COCCN(Cc1ccc(C)o1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1 1555546278 QWIRHMRJTMMLQO-UHFFFAOYSA-N 426.477 2.484 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@](C)(C#N)C1 1555686823 LOAVHZYZNUFOAP-JOCHJYFZSA-N 434.504 2.334 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 1558114286 SVKMNEAFRQHDON-MSOLQXFVSA-N 442.459 2.415 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)cc(C#N)n1 1559215067 FPNYAPHKTAMLNV-UHFFFAOYSA-N 429.380 2.295 30 10 IEEE COC(=O)CCSCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1568132403 AVNQVJAACBBYIE-CHWWFWEZSA-N 425.551 2.186 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CN(C2CC2)C(=O)O1 1584869377 AKVLMMVYSWJMDO-ZDUSSCGKSA-N 438.278 2.198 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)COc1cccc(I)c1 1585593545 ISFOYEWZOKQQBI-UHFFFAOYSA-N 429.254 2.474 30 10 IEEE CC(C)(C)OC(=O)Cn1cnc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1 1586063476 QDTSEFUDDPBGPE-UHFFFAOYSA-N 428.468 2.486 30 10 IEEE C#CCCCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1587793829 UUKCENPGAQOOFO-HSZRJFAPSA-N 442.564 2.352 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCNC(=O)c2ccco2)CC1 1588857346 MLGJNBGNEONAFD-UHFFFAOYSA-N 446.555 2.232 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1593746754 MFLNXHFWMBOXGQ-KRWDZBQOSA-N 432.546 2.041 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2C)CC1 1594097758 YDHCELDGJCPJJS-IBGZPJMESA-N 431.562 2.124 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1594813395 RVWUMVNJIHEKOD-QGZVFWFLSA-N 431.562 2.399 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595890302 OTGCHIZQLPGXQP-NRFANRHFSA-N 441.649 2.399 30 10 IEEE CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)cn1 1596315714 DQWGMMRUPBKRER-UHFFFAOYSA-N 434.479 2.326 30 10 IEEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705307 QPWNYNCUICXAEQ-AOMKIAJQSA-N 440.862 2.401 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNc2ncccc2C#N)C1 1597738063 BNILBUIODQXGOR-UHFFFAOYSA-N 425.290 2.252 30 10 IEEE CCc1nnc(N2CCN(c3cccc(C)c3C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1614023758 JUUPCDHUEVLVJN-GHVJWSGMSA-N 449.559 2.310 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCSC1 1616957230 AGPQWFZLVJDYEI-WIYYLYMNSA-N 429.546 2.132 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619615821 KUNPAEAAXPNFHD-SFHVURJKSA-N 438.511 2.170 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)CC1=O 1619938583 BEONRNXDLNCSTC-MJGOQNOKSA-N 426.496 2.250 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CCCS1(=O)=O 1624178258 IXRSGWFBVUJLMJ-WMZOPIPTSA-N 433.530 2.086 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 1629879257 LBAAIOATCBUXQY-UHFFFAOYSA-N 445.516 2.262 30 10 IEEE C=CC1(CC(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1641188037 RGHQSIXJAZVDFK-UHFFFAOYSA-N 437.562 2.366 30 10 IEEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1642543946 ZVMYLNCBXMDPJN-SFHVURJKSA-N 427.530 2.174 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1643757246 QLKNOMCNFULLER-BETUJISGSA-N 425.482 2.156 30 10 IEEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1648466865 QOEVPZXJQVIDTF-QVKFZJNVSA-N 436.468 2.440 30 10 IEEE C[C@@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1648469836 NXIQBKBPRDUWEX-VWNXMTODSA-N 442.510 2.257 30 10 IEEE C=CC[C@H]1CCN1CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1648553803 NVXNNRHIURZFAL-LZNAANCOSA-N 445.566 2.383 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccc2NC1=O 1652916247 IZJYCQJJNJKAFK-JTSKRJEESA-N 428.489 2.219 30 10 IEEE CN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C[C@@H](O)c1cccc(C#N)c1 1654149244 ZZBIFDMOJKPZGY-HXUWFJFHSA-N 435.463 2.154 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN([S@](C)(=N)=O)CC2)cc1 1654722215 VDAGAOULMJLNHP-HKBQPEDESA-N 444.561 2.122 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 1658716196 BJPPBYCTAWCFSK-CTNGQTDRSA-N 433.574 2.074 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)CC1 1664311892 UWQLQZQRXVUHAY-UHFFFAOYSA-N 449.754 2.265 30 10 IEEE C=C[C@@H](COC)NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1680389386 KYTNLXKSXPUCKE-SJORKVTESA-N 426.558 2.077 30 10 IEEE COC(=O)C[C@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 1682721654 QNYHDIFCQLWGGC-OAHLLOKOSA-N 427.461 2.227 30 10 IEEE N#CC1(CNC(=O)NC[C@@H](O)COc2ccc(I)cc2)CCCC1 1683745097 USEWKBABUZFZLJ-CQSZACIVSA-N 443.285 2.414 30 10 IEEE C#C[C@H](NC(=O)NCCOc1ccc(I)cc1)C1CCOCC1 1686242049 UTSINDHLOHRTKQ-INIZCTEOSA-N 428.270 2.398 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCC(C#N)(c2ccccn2)CC1 1687818204 WKHCGLCSPSHEFC-UHFFFAOYSA-N 432.521 2.023 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689989468 FUWRQUBVLLLORR-JYRCXFKTSA-N 440.635 2.110 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1690124583 OMEXIKLYHLCBFU-NQIIRXRSSA-N 442.995 2.494 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690159737 LBABZWQEDWVWLZ-CVEARBPZSA-N 429.458 2.334 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690218400 FFCNNLAJECPZGG-KRWDZBQOSA-N 425.331 2.125 30 10 IEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1690231417 BCNUJADYSPHZLB-UHFFFAOYSA-N 432.388 2.001 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1690266608 COAWNNDHGLBYTO-QGZVFWFLSA-N 446.556 2.166 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1690372730 WYJFGMIWOGVNLK-UHFFFAOYSA-N 445.527 2.068 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690502854 IENVQAUNPDGYJD-ROUUACIJSA-N 441.532 2.270 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1692348762 GVHVIONBZMFBHD-LJQANCHMSA-N 430.578 2.465 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1694212832 HTBZKHRIIQTMQK-MRXNPFEDSA-N 425.537 2.082 30 10 IEEE CCc1noc(C)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1694779351 UHPCWDAPNVGLOX-SJLPKXTDSA-N 443.552 2.086 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)C[C@H](C)O1 1694936852 URWPSOXXIAEUEI-LPHOPBHVSA-N 446.577 2.150 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC#N)CC1 1696623029 KBPYCCJCKLCRIV-UHFFFAOYSA-N 437.957 2.015 30 10 IEEE COCCN(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1698025279 GCWJJPUDDUDUIK-JOCHJYFZSA-N 443.552 2.104 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1698493018 IDTCJARNUJKFLS-MRXNPFEDSA-N 429.406 2.455 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705508184 KKJYFTSVGOXZLQ-IBGZPJMESA-N 427.553 2.311 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1705516758 IKGFOUURXXGVMT-GOSISDBHSA-N 445.564 2.449 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1705520962 LZTWPUWQJHERMD-LJQANCHMSA-N 425.533 2.190 30 10 IEEE C#CCCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1705539735 ZVZNNEPGLAQSQE-REWPJTCUSA-N 442.564 2.062 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCN(CC)CC1 1705544415 PMADPJAIWRAJCG-UHFFFAOYSA-N 426.565 2.059 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cc(C)no2)CC1 1705650653 WPBVVQXBPURPTK-UHFFFAOYSA-N 436.491 2.319 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC1 1705694346 AMODVLNPJGDGCR-HKUYNNGSSA-N 432.546 2.166 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)CC1 1705781518 BKPQHWSLHZRNRD-KRWDZBQOSA-N 443.639 2.155 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705799723 DZZMHYUQDRHDJS-UHFFFAOYSA-N 425.537 2.130 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705817801 STASPJFBNPGOCZ-MSOLQXFVSA-N 425.599 2.246 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OC(F)F)c2)C1 1705915419 ULIVMESZJGNCIY-INIZCTEOSA-N 448.474 2.340 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1706192353 GIPJLHKRZSNGBM-BMGDILEWSA-N 426.521 2.411 30 10 IEEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1708038069 TWYFCUOPZJGKDW-HRAATJIYSA-N 431.562 2.239 30 10 IEEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NCC)CC1 1709675058 SIYGJGMOWYTKBJ-UHFFFAOYSA-N 425.537 2.485 30 10 IEEE COCC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1712204313 UEEOCUUTYDUMRM-MRXNPFEDSA-N 447.486 2.319 30 10 IEEE COCCN(C)c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1712409226 WSNFRBUTQSARBO-HTXNQAPBSA-N 430.896 2.208 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)CC 1722279272 BHMPTOKNCUBNLS-CYBMUJFWSA-N 425.942 2.004 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C2CC2)ccc1F 1722374447 ZDFYGRPFTTZSIA-HNNXBMFYSA-N 429.521 2.026 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722379234 YJOOECCVOXLTNQ-UHFFFAOYSA-N 430.512 2.273 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(OCC(F)(F)F)nc1 1722379598 VIHQCNPGPRXRPO-UHFFFAOYSA-N 443.433 2.330 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H](C(C)C)N1CCOCC1 1722386459 YZRVPOMVFOSQSV-OAQYLSRUSA-N 439.535 2.426 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1722434666 WXBUCUHFYYWBGM-NRFANRHFSA-N 447.587 2.073 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722620037 HZAXXZZPOAOHIJ-ZWKOTPCHSA-N 425.537 2.191 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1722671483 UISBWSAWZVFDGC-UHFFFAOYSA-N 428.518 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)C(C)C 1722729008 VUOFFSIKOOWPAD-UHFFFAOYSA-N 447.609 2.288 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1723769603 LNFCAAJHIUYMBE-SZNDQCEHSA-N 443.939 2.078 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)C1 1726461435 CCRMKLZICNRDAL-WYADAEROSA-N 431.560 2.429 30 10 IEEE CCS(=O)(=O)NCCn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1 1729225856 BLNCYVLODKWCLM-UHFFFAOYSA-N 430.578 2.133 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729246432 RVZYVSUPURWMTN-BPJQYFMOSA-N 443.573 2.390 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C[C@H]1O 1729782241 CIHNSTMMZZRTMB-VAMGGRTRSA-N 439.516 2.136 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1740549743 GTVCQEJBKXGOFQ-QUCCMNQESA-N 445.589 2.042 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1740553376 RNJBFFYLSIEVRW-SJLPKXTDSA-N 443.573 2.403 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCCC2)CCOCC1 1740557058 HQEHJCPBQXLHKV-LJQANCHMSA-N 425.581 2.243 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740626626 XOKOILIKRISLQD-YOEHRIQHSA-N 433.603 2.426 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCSC 1740632032 GGBKKWRAJZGSAM-UHFFFAOYSA-N 430.603 2.373 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1740633200 ZCMXGGUFKVBZIE-OAHLLOKOSA-N 447.358 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCOCCN(C)C 1740634930 QVHRELPKYKQANX-UHFFFAOYSA-N 430.350 2.359 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)CCCO2)CC1 1740706854 FZNXVWLTFGSLSE-JOCHJYFZSA-N 442.589 2.169 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740849925 AQRDCYCJHYHHBI-IBGZPJMESA-N 430.597 2.161 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740955834 AXHKTAOJZVJVKM-OAQYLSRUSA-N 438.576 2.111 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1740960634 WOSHAYLWWSAICV-MRXNPFEDSA-N 426.477 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@](C)(O)c2ccccc2)C1 1740979972 MFNWPNREYNPJAU-DNVFCKCGSA-N 425.533 2.308 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1741015976 DXZAKZPLVSGPPS-OKXSDPAFSA-N 440.573 2.032 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1741713804 MMLCDPCTPIMDJT-CVDCTZTESA-N 447.628 2.083 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@H](C)CC 1748648890 GHMQFBLGBZGOLC-JLHGSKIFSA-N 447.605 2.450 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1748760706 CWISIVGZQMUDGM-IBGZPJMESA-N 431.562 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCCN1CCN(CC)CC1 1748882347 OWQXHHKRBXUEEG-UHFFFAOYSA-N 434.588 2.444 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCC(C)CC2)CC1 1748993345 WCWMHHZVDOBYLO-UHFFFAOYSA-N 436.604 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749664548 RKRKRXZCRLIBNJ-OAHLLOKOSA-N 425.411 2.023 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)C1 1749711814 CRQMMALVZUAQPB-HKUYNNGSSA-N 434.537 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Cl)c1 1749731262 AETLNRLFFCIERM-INIZCTEOSA-N 437.953 2.120 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@H]2C)CCOCC1 1750028846 ZGSYBOKKOAOHHJ-GOSISDBHSA-N 441.532 2.254 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCSCCCO)cc1 1750383208 QXZDEPUDPFGRTC-IBGZPJMESA-N 440.573 2.133 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159461 HPPFTNBWBKIODH-QHCPKHFHSA-N 446.596 2.362 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1760188381 KKXCKLWTRAXUOU-CABCVRRESA-N 430.559 2.160 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1760306215 DRFSFQNDPLMHBZ-NSHDSACASA-N 432.369 2.182 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760335185 LZAVPPUFSHVRQH-SCTDSRPQSA-N 431.562 2.253 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1760461850 IOEAGFKLARYQQJ-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE CC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765122418 DSRUXVPXSXMGGJ-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1766661432 SBNSCQNZKRCWRM-UFVMTTLYSA-N 429.569 2.096 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1766759647 JSDQPTIZTBHRRF-PNVADGIISA-N 431.562 2.359 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CC1 1770684568 AJZVFIDQUXFKBE-KRWDZBQOSA-N 440.573 2.301 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(N4CCCNC4=O)CC3)n2CCCCCO)cc1 1770732964 OJCOVHRISZJWTN-UHFFFAOYSA-N 437.548 2.363 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)cc1 1771534508 DGVCDFDWVGNQGQ-HXUWFJFHSA-N 435.532 2.068 30 10 IEEE COc1ccc(-n2nnc(C(=O)NCC3CCN(c4ncccc4C#N)CC3)c2C)cc1 1850898384 HRNKCFLSQBWSOG-UHFFFAOYSA-N 431.500 2.497 30 10 IEEE N#Cc1cnn2cc(CCCOC(=O)Cn3cnc(C4CC4)cc3=O)c(C(F)(F)F)nc12 1851328597 MXKKLGPTWIGDPH-UHFFFAOYSA-N 446.389 2.230 30 10 IEEE COCC(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCN(c2ccc(F)cc2)CC1 1851572106 SCGABQUSSNCMIN-QFIPXVFZSA-N 427.476 2.457 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(c3nccc(-c4noc(C(F)(F)F)n4)n3)CC2)c1 1852293479 PNHJXQUOOQMKMC-UHFFFAOYSA-N 429.362 2.379 30 10 IEEE C=C1CCCN([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)CC1 1854738665 WIYFDWAXAUJQLR-FQEVSTJZSA-N 431.558 2.254 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 1862739753 GFOFCWSIINNBSW-QGZVFWFLSA-N 427.369 2.464 30 10 IEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863610310 JWRXMARKTYURCE-UHFFFAOYSA-N 425.510 2.007 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871487978 HIKBUTYBLHOHRS-UHFFFAOYSA-N 443.983 2.343 30 10 IEEE Cc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1 1874252634 RGBQCGSRPPIZSO-FSJBWODESA-N 441.513 2.469 30 10 IEEE COc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)cc1OC 1874354199 WYSJMZHKCMEYHQ-FOKLQQMPSA-N 441.513 2.472 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1890843415 SLXGSLRZJKDHHL-LJQANCHMSA-N 437.993 2.297 30 10 IEEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c1OC 1891774202 WLUQABUCYITJIE-UHFFFAOYSA-N 429.498 2.049 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2010034759 ZVVYLJOXSBFFLZ-LSDHHAIUSA-N 441.525 2.167 30 10 IEEE N#C[C@@H]1CCCN(S(=O)(=O)N2CC=CCC23CN(C(=O)OCc2ccccc2)C3)C1 2207809501 WGUDMYLDFHWLNX-IBGZPJMESA-N 430.530 2.120 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@H](O)C#Cc1ccccc1Br 2227478826 AIYHKFXPYQTITL-HZPDHXFCSA-N 446.363 2.490 30 10 IEEE CN(CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243435600 TZKNALASTOCPSX-UHFFFAOYSA-N 446.400 2.193 30 10 IEEE CC(C)(C)OC(=O)NC1CCC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255627396 SEIOHCGOSWETPQ-UHFFFAOYSA-N 434.346 2.275 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)n1 2255649808 XHHFCMAHZAECQS-UHFFFAOYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256019024 VBRURLHAYMXHEF-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267093886 YTYBNFZZQWHROW-FOLVSLTJSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)c1ccco1 2267096543 KEZZNZODYPJTEB-CQSZACIVSA-N 446.313 2.298 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267183849 QDCQGWPZIJVWBD-GOSISDBHSA-N 444.312 2.170 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2267272880 FCODGYJJJUJYMB-HOTGVXAUSA-N 449.332 2.458 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 2267536102 ADIHATULQBBUNE-GDBMZVCRSA-N 448.373 2.187 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267548361 FZYFLXFSKIOIGH-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267553203 YAPAUIQHCUGQMJ-DFFLPILJSA-N 448.325 2.133 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCN3Cc3ccccc3)c(O)cc2O)OC1(C)C 2267809030 GORBLYUNGKVPST-KRWDZBQOSA-N 438.333 2.401 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271393048 HDXVUQDRQNQYAH-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE Cc1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2273749772 CPBLSYVROLTEEC-UHFFFAOYSA-N 446.353 2.204 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@]4(C)C3)nc2)OC1(C)C 2282618781 OKQGESZZHWHSPY-UQBPGWFLSA-N 448.376 2.370 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](N)C#Cc1ccccc1Br 2313857213 VQZPLVOZLKVPHU-GJZGRUSLSA-N 431.352 2.066 30 10 IEEE CCCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2315531206 COOSMQPBHOZIGO-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CCOc1c(Br)cc(C=NN(CC(=O)O)CC(=O)O)cc1Br 2322992036 MKWGELRWFJFCAB-UHFFFAOYSA-N 438.072 2.415 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2337291740 JQDWHGIHNHFUFT-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343640176 FJWYZJKBMANTSD-DOTOQJQBSA-N 449.332 2.410 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)[C@H]2CCN1C2 2368601587 NUJCYPAAVBZXHO-WDEREUQCSA-N 446.086 2.476 30 10 IEEE Cc1ccc(CNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 9860506 JDOGCIILKKZCCF-OALUTQOASA-N 429.567 2.343 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)c3cccc(OC)c3)n2N)cc1 20805997 ABQSUFJMYAMHPR-SSDVNMTOSA-N 440.485 2.208 30 10 IEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)o1 20911148 BTBSEKFLLRRPFY-FBCYGCLPSA-N 446.541 2.114 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N)c1ccccc1O 59829706 PEGRRDCFURZPOH-OEAKJJBVSA-N 425.518 2.251 30 10 IEEE CCn1cc(C(=O)NCC#CCOc2cccc(NC(C)=O)c2)c(=O)c2ccc(C)nc21 90732130 OUZHBMVRFSEMKG-UHFFFAOYSA-N 432.480 2.495 30 10 IEEE CCCCOc1cccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254696990 HYSBNZPIZJDCSW-CVEARBPZSA-N 440.543 2.332 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)CC1 409772052 ADQFBQYORRYKGQ-UHFFFAOYSA-N 428.496 2.313 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 410146917 DZGJCJZRJJKVKF-LLVKDONJSA-N 427.328 2.050 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1C[C@H]1CCCO1 463799079 VLSQWAUDFWQPBU-QGZVFWFLSA-N 445.972 2.080 30 10 IEEE CSC[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 464573909 ALXZIXNMOKLJEU-BSAXUESFSA-N 435.549 2.227 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)CC2)n1 467057656 JHKVUAYUROAUTI-INIZCTEOSA-N 446.504 2.019 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CCN1Cc1ccccc1 479064149 GQVVGIIAGHVORW-FCHUYYIVSA-N 435.503 2.346 30 10 IEEE N#Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 482381198 NIUZZXIBAZYIRW-UHFFFAOYSA-N 446.510 2.092 30 10 IEEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491759715 GYAMBPBKGHHHDW-UHFFFAOYSA-N 426.567 2.123 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c(OC)c1 497489865 ARFUBKUGNAPLMK-HNTVYWHESA-N 429.605 2.406 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Cl 503862787 QYUDWIWQZDIZFV-GOSISDBHSA-N 447.900 2.472 30 10 IEEE CC(C)Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C1CC1 506817036 AWHGUTQZEFMQPY-UHFFFAOYSA-N 441.557 2.435 30 10 IEEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)Cc1ccc(C(=O)OC)cn1 507501104 LYMSTCNEPAIABM-UHFFFAOYSA-N 428.470 2.199 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 520103715 HBNMQBBTBPUFNH-UHFFFAOYSA-N 446.573 2.180 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 523080190 UOUQFXRHUAZLQE-UHFFFAOYSA-N 448.491 2.420 30 10 IEEE Cc1cc(C)c(C#N)c(SC2=C(N(C)CCO)C(=O)N(c3ccc(C#N)cc3)C2=O)n1 526696126 OWHRINVWZOQQBO-UHFFFAOYSA-N 433.493 2.243 30 10 IEEE Cc1cccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1C#N 533636287 HISZGGOLKSLHRE-UHFFFAOYSA-N 433.555 2.271 30 10 IEEE COc1ccc(Br)cc1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 548596447 MLIZFUMFNSDPLF-OAHLLOKOSA-N 425.260 2.434 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC 558763996 ANRMAWBCYJPOLE-UHFFFAOYSA-N 440.499 2.384 30 10 IEEE Cc1cc(C#N)nc(N2CCN(C(=O)c3ccccc3I)CC2)n1 561126590 CWVURVODWSRWIA-UHFFFAOYSA-N 433.253 2.224 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CC1 605418193 BSTOIMCMESIFPE-UHFFFAOYSA-N 440.504 2.053 30 10 IEEE CCCn1c(CCC(=O)NCc2ccc(C#N)cc2F)nc2cc(S(N)(=O)=O)ccc21 609228654 DWXYJBIHPBVFCV-UHFFFAOYSA-N 443.504 2.353 30 10 IEEE COc1ccc(-c2nc(S(=O)(=O)Cc3ccnc(C#N)c3)n[nH]2)cc1Br 618561797 ZTKOOEZMWGSBMD-UHFFFAOYSA-N 434.275 2.483 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)cc1OC 623009074 XVMFIHGHURDUFR-UHFFFAOYSA-N 426.538 2.455 30 10 IEEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C#CCCO 703981920 VQCUGHRZRWGWOO-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCSc1ccccc1 727416373 MYCVUWGPBKNIRB-UHFFFAOYSA-N 439.562 2.323 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(C[C@H]2CCCO2)C1=O 730140970 YIKQHUMSDWQFQH-RHSMWYFYSA-N 440.516 2.143 30 10 IEEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1 730718640 MTPDJTNRURPKAH-GOSISDBHSA-N 429.546 2.437 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC1(c2ccc(Cl)cc2)CCOCC1 732453178 BRNPTKPKZRFDFN-VHEBQXMUSA-N 432.908 2.214 30 10 IEEE N#C[C@@H]1CN(C(=O)CSCC(=O)Nc2cccc(Br)c2)CCN1C1CC1 732679138 RLMSJGGKXGPSFZ-MRXNPFEDSA-N 437.363 2.320 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 741448495 AQQJBEPTNQTQMC-LJQANCHMSA-N 443.573 2.058 30 10 IEEE CCOC(=O)CCC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 749074900 SWOYKVDOCCVDTH-HNNXBMFYSA-N 435.546 2.086 30 10 IEEE CNC(=O)c1cccc(CCC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 752464923 ADRFFYIBMFCDFH-UHFFFAOYSA-N 439.415 2.374 30 10 IEEE C=C(C)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 755988317 LANQNSBHOFSMGY-HNNXBMFYSA-N 428.938 2.461 30 10 IEEE N#Cc1cc(Br)ccc1OS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 763329088 FPLBUPWVFMAXAR-UHFFFAOYSA-N 428.285 2.418 30 10 IEEE C[C@H]1CCCN1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 769866956 XPQSSFDLEXXEGQ-LZICOFPGSA-N 428.580 2.421 30 10 IEEE CCOc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)c1 784125705 MHFSSDLGKYQDIY-SFHVURJKSA-N 442.545 2.367 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c1 787975538 MZQKPHRCTYGGBK-UHFFFAOYSA-N 425.825 2.054 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)CC2)c1C#N 788106559 NHYNTFQJZBGIPQ-QAPCUYQASA-N 445.568 2.077 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n1 788693481 DSODHHVBHDPZRP-UHFFFAOYSA-N 431.436 2.295 30 10 IEEE CCCNC(=O)CSc1nn(CN2CCN(c3ncccc3C#N)CC2)c(=S)s1 798229366 YQRDPVCXBASFST-UHFFFAOYSA-N 449.631 2.339 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 802399776 KMGIILDQJYWDOQ-UHFFFAOYSA-N 439.520 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NS(=O)(=O)CC3(C#N)CCC3)CC2)CC1 812529486 DJTWBTYMYMFEEH-UHFFFAOYSA-N 440.610 2.464 30 10 IEEE COc1cc(/C=C\C(=O)N2CCN(C(=O)CC#N)CC2)ccc1OCc1c(C)noc1C 819462819 BFOFQDOITAMUNE-ALCCZGGFSA-N 438.484 2.477 30 10 IEEE Cc1cc(N2CCN(C(=O)COC(=O)c3ccccc3OCC#N)CC2)nc(C(C)C)n1 920414113 LROCGJHDKBKFRM-UHFFFAOYSA-N 437.500 2.316 30 10 IEEE C#CC[C@@H](COC)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1131945394 TUAZLPOHTXVIIR-JTQLQIEISA-N 426.292 2.448 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)[C@@H](C#N)C1 1137215223 QEYTZMJMOWSVLC-ZWKOTPCHSA-N 427.505 2.114 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)c1 1141465407 HVLLWRMSDPWNEK-UHFFFAOYSA-N 440.521 2.090 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1159641159 FKCVLVVNAKNAPT-CABCVRRESA-N 442.285 2.079 30 10 IEEE CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1159902132 LZIQESBPDYPSJY-UHFFFAOYSA-N 438.550 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)O2)C1 1165615961 UMSWSIJFPOMJJE-VGOFRKELSA-N 440.500 2.494 30 10 IEEE C=CCC1(NS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CCOCC1 1212433126 LUPFRLALRACXIA-SREVYHEPSA-N 425.503 2.294 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1268927552 PMOFMEHDOQTPIA-VJZPNJBGSA-N 448.527 2.322 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1286425805 YBQJYLNIBQREBL-SFHVURJKSA-N 434.466 2.010 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1ccccc1OC 1286432664 SNMKCFQHJUGDLW-LJQANCHMSA-N 435.528 2.340 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)cc2F)CC1 1286473820 YCMWDBFWRINTMA-QHCPKHFHSA-N 427.524 2.181 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1286508634 JRXRGGBRWXKJSA-MRXNPFEDSA-N 433.607 2.025 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286564714 HNQZLAISMJAIGR-UYAOXDASSA-N 434.585 2.380 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1286581811 NPYWEPLQEGWDGB-KRWDZBQOSA-N 441.667 2.410 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635466 SVIDYYCYUUVXAJ-NQIIRXRSSA-N 439.988 2.372 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)CC1 1286637478 FVCZMAYXYPDWON-HNNXBMFYSA-N 436.557 2.298 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286787828 JZDOYQGLMHJRNU-INIZCTEOSA-N 446.502 2.079 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286790224 LEDKVOKXNNVTET-LJQANCHMSA-N 427.549 2.453 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN(C(C)=O)C2)C1 1286814281 OVSKPVQMYSIVFG-BURNTYAHSA-N 447.580 2.042 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1CCOCC1 1287002965 QKXJEQYJTXWUII-UHFFFAOYSA-N 439.564 2.221 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1296037162 UTYOUELRRVCLSX-NYYWCZLTSA-N 431.489 2.128 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300362099 KQLXBTITJFBWJP-IBGZPJMESA-N 439.564 2.409 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC(F)(F)CO1 1300471405 ARYPHQDNHYXYCX-FQEVSTJZSA-N 444.530 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1300578324 KUVPKZSNSSSOQJ-QFIPXVFZSA-N 431.540 2.416 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1nnc(C)s1 1300578450 CWEPAQZJCOXLOS-UHFFFAOYSA-N 444.524 2.459 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)no2)CC1 1300719343 XKFSWNQPAWEOIV-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1301154160 KFVGITBRQWAGTG-LJQANCHMSA-N 427.549 2.431 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301246339 QMDWTPUMYNMIHM-UHFFFAOYSA-N 425.537 2.271 30 10 IEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)C1CC1 1301331833 WIYAPJYNQMKLBL-UHFFFAOYSA-N 436.516 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301577542 PYWQMNCWGPDREK-LJQANCHMSA-N 446.573 2.498 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cnc2ccccc21 1302095880 FTRVSTPMEOSYKD-QZTJIDSGSA-N 439.520 2.171 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@H](O)C[C@@H]2C(=O)OC)nnc1-c1ccc(Cl)cc1 1302676273 JUXITVPNWNKYRJ-HUUCEWRRSA-N 436.921 2.011 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](N3C[C@@H]4[C@@](C(F)(F)F)(CCCS4(=O)=O)C3)C2=O)cc1 1308140854 CAYYNIHOXSPGQB-ZHALLVOQSA-N 441.475 2.495 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)CC2)cc1 1313178589 FHKZTEYSOSWOOW-AQYVVDRMSA-N 438.553 2.390 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2n[nH]c(C)n2)c2ccccc2c1=O 1313958401 BPPLHMQSZMAMPI-CQSZACIVSA-N 446.519 2.083 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1315982416 VHJJDGDQSOMGMY-VXKWHMMOSA-N 435.569 2.236 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1COCCO1 1316089367 FTPCUXYKKAWYEN-JOCHJYFZSA-N 448.527 2.204 30 10 IEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOc2ccccc21 1316101299 HCQPQUQMVACXGQ-SFHVURJKSA-N 438.532 2.333 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1358890171 MBIFMLHTLDJAKE-NQIIRXRSSA-N 438.576 2.275 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1358905080 RKNVQNCLHIQHGG-FUMNGEBKSA-N 448.637 2.002 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1358921972 PDYJOQVUKAPTBN-UHFFFAOYSA-N 441.532 2.347 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1358933015 FKPILCICFXGDDH-LJQANCHMSA-N 427.471 2.344 30 10 IEEE C#CCCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936136 DVGZZFDLPWJFQX-NZQKXSOJSA-N 431.581 2.033 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1S(C)(=O)=O 1358990741 ZPDHGFCSSCBQCH-QGZVFWFLSA-N 445.976 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)N1CCOCC1 1358998077 OYXFSQSBODYLOK-FQEVSTJZSA-N 437.544 2.049 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)C2CC2)CC1 1359046617 ZBGJWMLRKONYKS-XMMPIXPASA-N 439.535 2.135 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 1449309589 KBBAUFOBMSNHEP-QFIPXVFZSA-N 438.521 2.329 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1464591524 NKDBFPVNWGOMKK-UHFFFAOYSA-N 442.603 2.261 30 10 IEEE C=CCn1c(SCC(=O)NCc2nc(C(N)=O)co2)nnc1-c1ccc(Cl)cc1 1470021467 YSDUJWVVYXOZMI-UHFFFAOYSA-N 432.893 2.280 30 10 IEEE C#CCN(C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)[C@H]1CCOc2ccc(Br)cc21 1479369685 CYVXNSFKNSAOML-KCXAZCMYSA-N 441.347 2.351 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1492907754 FQZWLUSPIVOICH-HDICACEKSA-N 438.580 2.068 30 10 IEEE CCCN(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1500697295 RGCGYZUPVXIPFV-FMQUCBEESA-N 428.468 2.369 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN(C)C(C)C 1503103080 FWJGYJZZIOEASH-UHFFFAOYSA-N 426.569 2.138 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1cccs1 1503621096 AIXAHQKYRNASBF-UHFFFAOYSA-N 430.559 2.106 30 10 IEEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504022901 QCLBJGZTMLDIIH-ICXBWIRDSA-N 444.536 2.051 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1507582551 HWBXRIUQCUIRTN-KRWDZBQOSA-N 447.543 2.145 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCC1=O 1507651495 BLACBFUSDKARBM-UHFFFAOYSA-N 443.511 2.069 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N(C)C 1507688262 XBJOUXZZJUMXJA-UHFFFAOYSA-N 440.367 2.059 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nc(C(F)(F)F)cs1 1507701850 BSZNIKDQNNDOQQ-UHFFFAOYSA-N 430.456 2.026 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507755474 VAWCNYQQXSHVKJ-UHFFFAOYSA-N 425.624 2.162 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(CC)CCS(C)(=O)=O 1507802458 ATBJRCYVOBPIQY-AZUAARDMSA-N 433.578 2.116 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1507823518 KBQFLSPKZMUGBD-QFIPXVFZSA-N 448.589 2.372 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508103575 HFFMPICPUDKQMT-MSOLQXFVSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(C)nn(C)c1C 1508140024 KNCQNSAAPWAXMV-UHFFFAOYSA-N 443.577 2.236 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2(C(N)=O)CCCC2)CCOC1 1509808318 YYSCUZLMXCFEDM-QHCPKHFHSA-N 444.580 2.494 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1509963433 GOCODBCZFFQTCS-HOCLYGCPSA-N 449.481 2.401 30 10 IEEE Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C#N)o2)n1 1511122126 DWIMZEXVBZPDPD-UHFFFAOYSA-N 426.502 2.175 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1516765208 MEUKNQDAHJSEMJ-LEWJYISDSA-N 441.532 2.254 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516952690 FKQUEHLFBVOJPG-QGZVFWFLSA-N 442.955 2.038 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCSC2)C1 1517026489 XTNLCYBIBLJKKV-FQEVSTJZSA-N 446.602 2.042 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1517301790 FLXSZBQTCHFVLN-UHFFFAOYSA-N 449.487 2.328 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Br)cccc1[N+](=O)[O-] 1517946619 SHYSYNBVKFBYSZ-LLVKDONJSA-N 431.250 2.370 30 10 IEEE COc1cccc(OCCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1518416072 DXEIPGZAMVEJGZ-QGZVFWFLSA-N 448.531 2.441 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2CC2CCS(=O)(=O)CC2)C1 1521069129 DOTFXZZQMCHDIT-NRFANRHFSA-N 431.537 2.330 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCN3Cc3ccccc3)C2=O)cc1 1533600402 YYZPEKVQFMNZOE-RTWAWAEBSA-N 431.496 2.154 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cc(I)ccc1N1CCOCC1 1534132063 HEOGWKTWMZLOQW-HNNXBMFYSA-N 442.297 2.286 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)C2 1534231885 DOWBCSMTBQZDNN-UHFFFAOYSA-N 426.494 2.273 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C#N)c2)o1 1535885600 CAYJMAWTQDNPAM-INIZCTEOSA-N 431.470 2.428 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539104322 IFSGPBXMLIXNHE-IBGZPJMESA-N 447.547 2.219 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1539343905 RVALXOCLLJSLLH-INIZCTEOSA-N 433.578 2.334 30 10 IEEE Cn1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(I)n1 1539378907 FZMNZVXGIKOZAN-OAHLLOKOSA-N 435.269 2.047 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(OC)OC)c2)CC1 1539454133 XJCJRFUJAUSFJZ-UHFFFAOYSA-N 446.555 2.359 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC(C)C)c2C)CC1 1539459513 HVBFFUWQUNGZSO-UHFFFAOYSA-N 449.607 2.104 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)c2ccccc2)CC1 1539475322 BTEVKVYSEXZPFK-UHFFFAOYSA-N 445.571 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccnc(SC)c2)CC1 1539475359 CYKGIINAWGBNLL-UHFFFAOYSA-N 447.568 2.471 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCOCC1 1539570125 OKYRDWNOWHNXAF-SFYKDHMMSA-N 431.581 2.105 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 1539629720 XWLPKKKTUWYNIN-IEBWSBKVSA-N 427.553 2.116 30 10 IEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1540859184 KXZNUFJTGWMGSH-ROUUACIJSA-N 437.548 2.070 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1540880273 BZNZFUSDWGCGEU-UHFFFAOYSA-N 433.578 2.171 30 10 IEEE Cc1nccnc1CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1542986094 XZTRIYIJGPCQJT-JOCHJYFZSA-N 425.537 2.400 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(OC)CCOC1 1545544114 PXSZOBXBSDLCEQ-VGOFRKELSA-N 425.537 2.190 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1557362427 JALHHOVKJCNCSD-HXUWFJFHSA-N 447.601 2.356 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1559982017 GFAFDQKNKHNBDZ-MRXNPFEDSA-N 441.409 2.396 30 10 IEEE O=C(CN1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)NCC(F)(F)F 1559986964 BFQRXWUVBYBOED-STQMWFEESA-N 429.336 2.341 30 10 IEEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 1560210857 MZMPZURCYOBECE-SFHVURJKSA-N 437.562 2.290 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1)C(=O)OC 1561512398 XHSKZIAAVGDBQY-AWEZNQCLSA-N 427.500 2.101 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)OC)s1 1566102401 BSUNRKTYKMVLOG-LJQANCHMSA-N 434.539 2.054 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 1583612049 MGEOLPLQFJLHTM-QGZVFWFLSA-N 438.509 2.451 30 10 IEEE CCN1C[C@@H](CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)Oc2ccccc21 1587535574 QKEHTIDVKIRXHK-OAHLLOKOSA-N 431.489 2.482 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1587831163 JZBDWAAIALHJCN-UHFFFAOYSA-N 437.544 2.442 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1588138751 IPQXHFFZQKDBQD-MRXNPFEDSA-N 438.509 2.056 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCC(=O)N1CCOCC1 1588205706 ROSSSWDACPEVCP-UHFFFAOYSA-N 442.523 2.205 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNC(=O)C(C)C 1589036523 KKURXZJZYWAFOU-UHFFFAOYSA-N 429.546 2.249 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1595076174 WEFKUPYUVDRLLI-XXBNENTESA-N 441.532 2.236 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCOCC1 1595276334 ZPWWVUCBSURYGH-UHFFFAOYSA-N 434.562 2.414 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F 1595303317 QKTCORJTAYYQKZ-OAHLLOKOSA-N 426.489 2.146 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1595501355 QRIMHTZORBVXFX-GOSISDBHSA-N 449.540 2.462 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1596789051 FFDYNEYVRRWTOH-LSDHHAIUSA-N 429.550 2.208 30 10 IEEE CC(C)(C)OCc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)no1 1597660350 FBDNVTBEQXWIGK-NRFANRHFSA-N 445.499 2.307 30 10 IEEE C[C@@H](CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)NS(=O)(=O)c1cccnc1Cl 1598184690 BLYRIUZGFJONDF-WMLDXEAASA-N 448.932 2.264 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1612919170 PPJLLIOMYBPVKH-XOMICKMZSA-N 436.516 2.475 30 10 IEEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1618070987 IFQRFPHUPQOUCO-CLCXKQKWSA-N 447.557 2.427 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc[nH]n1 1618205535 DDKUHJHDNMVLLR-CQSZACIVSA-N 433.440 2.062 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1619537834 PMSGJHHTBBKZSS-MOPGFXCFSA-N 425.537 2.046 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 1623589949 IKKKFBKRSAZWAU-RTWAWAEBSA-N 445.560 2.491 30 10 IEEE CCOc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1624062019 IBIHQBIQHCPXAT-UHFFFAOYSA-N 427.526 2.423 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2CCc3ccccc3C2)s1 1624428629 RFKAFJAQJKNMQA-UHFFFAOYSA-N 433.599 2.320 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c1 1626149770 GJOXTIIGUCOGOP-QHCPKHFHSA-N 445.491 2.040 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(CCC#N)Cc1cccnc1 1626885545 BTJZECBPFMNGTB-IBGZPJMESA-N 431.537 2.379 30 10 IEEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1nc2c(cc1C#N)C[C@@H](C)CC2 1627762947 NULMLBPUQUKHBY-AWEZNQCLSA-N 436.516 2.290 30 10 IEEE C#CC[C@@H]1CCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1630401808 UCIDGOKWBUGEAG-ZWKOTPCHSA-N 440.569 2.416 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 1630929256 BRLIHYDOOUCPRB-QAQDUYKDSA-N 435.546 2.164 30 10 IEEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OCC 1635699241 RSNCZWKFHCDFKX-JKSUJKDBSA-N 428.576 2.471 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1635701869 VTDDSNMMTSPXNY-MTQWCTHYSA-N 438.528 2.278 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OC 1638401444 NJKVZYLFOBHECP-CYBMUJFWSA-N 433.324 2.033 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OCC)Cc2ccccc2O)cc1 1639584601 CDNKTKLDHRHAHV-UHFFFAOYSA-N 432.498 2.062 30 10 IEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)s2)CC1 1639591050 KEVKTYHZFFLRKN-UHFFFAOYSA-N 437.543 2.218 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC2=O)c(OC)c1 1646250218 APIAMNGKJLFILD-GFCCVEGCSA-N 426.498 2.157 30 10 IEEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 1647787245 BWHDNPPOIOBYJZ-VQIMIIECSA-N 444.532 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1649537967 JAWODERYBTUKBJ-MBSDFSHPSA-N 435.532 2.406 30 10 IEEE Cn1c(=O)[nH]c(NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)c(C#N)c1=O 1650633992 FJDGIPGBJFCXDZ-UHFFFAOYSA-N 433.468 2.355 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCC3(c4ccc(C(F)(F)F)cc4)CC3)C2)c(=O)nc1O 1671733662 SIWOYZLXBNUUPN-UHFFFAOYSA-N 433.390 2.137 30 10 IEEE CC1(C)CC[C@@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1 1685532655 UWVGGWDDVGSLFB-SFHVURJKSA-N 434.562 2.169 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCC3(c4cccc(F)c4F)CCCC3)C2)c(=O)nc1O 1686107177 AQTIFWWRFNRCAD-UHFFFAOYSA-N 429.427 2.177 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1 1689835304 JTLMPFKIVZAZOG-OAHLLOKOSA-N 425.514 2.258 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@H](C)CC 1689966182 MLZKFGRQIRTHPO-JLHGSKIFSA-N 435.569 2.453 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689990290 NLHIYQPRFMFGMV-IBGZPJMESA-N 449.621 2.211 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](OCC)C2CCCC2)CC1 1690130654 KPNKRYWISWNIHR-OAQYLSRUSA-N 442.608 2.141 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2scnc2C)CC1 1690148835 WTGPUXNTPHRJLH-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1690317210 VGCCEWNQSDXHKA-UHFFFAOYSA-N 437.548 2.168 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690399369 UWTZNPJPIWTEMI-WMZOPIPTSA-N 426.583 2.229 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690510989 LUEJWQMLHIXENU-VQIMIIECSA-N 429.496 2.304 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1690577817 NQVYDRDFKRMMKG-IAGOWNOFSA-N 449.602 2.451 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCOCC1 1690661259 YHMRQEMDSDFYSP-KRWDZBQOSA-N 429.521 2.346 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](COC)C1 1690724235 KRNUQUIZJKDHBE-ROUUACIJSA-N 426.583 2.373 30 10 IEEE Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)s1 1693377709 FVQITZSRKVLLSO-UHFFFAOYSA-N 445.574 2.157 30 10 IEEE CCOC1CC(O)(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1696193654 DVNXNCIAUPKEFQ-JVVKFSLBSA-N 425.533 2.479 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1696714022 QBUGXXBIAHDIQN-XUTLUUPISA-N 448.462 2.037 30 10 IEEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)Cc1ccccc1 1696802438 HEFORERIGPZQTP-HSZRJFAPSA-N 439.539 2.365 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)C1=O 1696885699 OMIPVAXIOGAMBD-QHCPKHFHSA-N 438.532 2.130 30 10 IEEE COc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c1OC 1697537770 PHMBVUBSDFHAMH-QGZVFWFLSA-N 440.529 2.428 30 10 IEEE COCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1698001593 PUTQCQYMVXYKJP-IAGOWNOFSA-N 434.541 2.158 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@]2(CCOC2)O1 1698062715 GGSDMIXLGKUERH-WIYYLYMNSA-N 446.577 2.338 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1698214204 FEFUQPJLCSPGRO-SFHVURJKSA-N 440.548 2.317 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CCOCC(F)F)c1 1698486112 RZVLQXJOLAFCST-SFHVURJKSA-N 443.458 2.200 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccc(OC)c1 1705555512 OERSSAZCEVMSDY-UHFFFAOYSA-N 443.511 2.025 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705564234 MSMCDLRQURGHSW-GOSISDBHSA-N 439.516 2.349 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CC(OCC)C1 1705591987 NNVSWESRIZJBPB-UHFFFAOYSA-N 438.528 2.355 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1705643001 PFYFQMRRMAEFNE-WIYYLYMNSA-N 425.533 2.046 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)[C@@H](C)CC)CC1 1705648741 XMPWWIYHEBAINZ-ICSRJNTNSA-N 430.597 2.216 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1705664482 QEXGXIYUVYQOCT-SIKLNZKXSA-N 444.605 2.280 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705682663 HNLFFLBTMRTXNT-IYBDPMFKSA-N 437.294 2.432 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1705738785 KKYLDANCHYNEAL-UHFFFAOYSA-N 448.589 2.484 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705739139 WPHWGFZXHRGQGX-UHFFFAOYSA-N 438.511 2.112 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705900882 SJNBDOMNWNYOEA-OALUTQOASA-N 438.580 2.128 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705906663 LUARRJSALYDDOL-DLBZAZTESA-N 430.528 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(C)(C)OC[C@@H]1C 1705935340 OFEVEHDFGZIOII-KRWDZBQOSA-N 448.589 2.482 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nncn2C)cc1 1710537296 BPNBASNUERIMJD-YCRPNKLZSA-N 440.483 2.436 30 10 IEEE CCOCc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1710631346 BDKWRSVKLXUBSP-LJQANCHMSA-N 447.499 2.239 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1710872804 AGICVNVFGFWUFX-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722406212 VPLQACNELHTJFL-LPHOPBHVSA-N 429.487 2.274 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(OC)cc2)CC1 1722439896 TWJPVZORZUOBIA-UHFFFAOYSA-N 432.528 2.107 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722530902 DCANHGQPTZIWMV-TZIWHRDSSA-N 426.565 2.480 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722537306 MRLJSAWYSZKFGV-SFHVURJKSA-N 432.569 2.101 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 1722539511 RULGJOBSZROUIX-WZONZLPQSA-N 425.533 2.432 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722558765 XRZSJONKVOBMKT-ATZDWAIDSA-N 436.988 2.261 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722604301 XMTXBOXXHMMNHE-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCn3ccnc3C2)C1 1722708979 HLGPDWNIUGCSOR-MJGOQNOKSA-N 441.580 2.437 30 10 IEEE C[C@@](O)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1723972613 HWLUYTQPDFTWNT-QVKFZJNVSA-N 427.436 2.226 30 10 IEEE CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)O1 1727312600 LXIXGMXKGVJROU-CVDCTZTESA-N 438.532 2.403 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC1CCS(=O)(=O)CC1 1729398881 LRLYXUXLQTXRIT-LJQANCHMSA-N 429.546 2.462 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2(C)C)CCO1 1729681705 LKDSVOAGQROQHR-ROUUACIJSA-N 440.573 2.300 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCCO)c(OC)c1 1730080060 JKEXTQIBCSOAHK-JOCHJYFZSA-N 429.521 2.491 30 10 IEEE N#Cc1ccc(CN2CCCN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)CC2)cc1 1731183106 NZMJRAXWVAUPDA-UHFFFAOYSA-N 449.559 2.256 30 10 IEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740577182 VCVWWFRVQUDOMS-HXUWFJFHSA-N 430.574 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)CC 1740646932 FORORRISYURVNJ-UHFFFAOYSA-N 436.541 2.233 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@H]2CCCCO2)CC1 1740698250 BZPJQPYWYOEPCI-OAQYLSRUSA-N 425.581 2.244 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740718904 WYVPRUBOAHWLAA-SFHVURJKSA-N 435.594 2.453 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740862370 QLXGZPDWJYVVIY-IRXDYDNUSA-N 442.568 2.414 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC)C1CC1 1740910164 KWAAHJPSKVZFDS-MRXNPFEDSA-N 432.546 2.401 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740957861 CGZDVFVZIDHGCQ-IBGZPJMESA-N 436.560 2.398 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1cc(F)cc(F)c1 1741903867 FCMFJLNZCOIUOX-STQMWFEESA-N 426.493 2.148 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)C1 1741983734 DWIGXSOPAREJIV-HXUWFJFHSA-N 432.431 2.185 30 10 IEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)CC1 1746561893 QXCLVIIBJIWOCR-UHFFFAOYSA-N 442.520 2.434 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccncc1Cl 1747130611 RCHPJZAOFXGJSO-UHFFFAOYSA-N 425.880 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1748690538 UOIBWKNKVXUSPB-MRNZGAJFSA-N 433.553 2.047 30 10 IEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC(N)=O 1749022869 IHDKBIBAWWFQJF-GFCCVEGCSA-N 439.383 2.113 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCN1CCCS1(=O)=O 1749072822 YEPHLBBWNFSCKA-HSZRJFAPSA-N 441.601 2.481 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCOC 1749089915 HZABPLKSTKUJCE-UHFFFAOYSA-N 433.314 2.302 30 10 IEEE C=C(Cl)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1749281526 FUYHYLGVIQHPOV-RVKKMQEKSA-N 434.990 2.329 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1749507231 VTLNEXJWRIVPRZ-GASCZTMLSA-N 439.582 2.248 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1749666720 QUTDRKYZYDDJDB-CRAIPNDOSA-N 435.532 2.119 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681432 AZJSBKOKGOYTMC-WMZHIEFXSA-N 447.580 2.016 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccn(C)n2)C1 1749717978 SBBUTLHYGGXXSD-QGZVFWFLSA-N 441.561 2.027 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)OC 1749997279 KHYDGTFYGHWYHP-KRWDZBQOSA-N 443.552 2.020 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1750673326 HXJIZVDYTVRLAS-GOSISDBHSA-N 446.577 2.102 30 10 IEEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)o1 1751473270 XUHKFAYREQFVCU-UHFFFAOYSA-N 443.529 2.416 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1760189374 UDGQSMPIOJTTFH-HKUYNNGSSA-N 432.546 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1 1760267090 DDPRBRAOQJIAEC-UHFFFAOYSA-N 449.902 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2nncn2-c2ccccc2)CC1 1760270107 KMOPVTFTHHJCTF-UHFFFAOYSA-N 446.559 2.071 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCCOC)CC1 1760333890 HVGLUKMNPUJOOV-CUWPLCDZSA-N 447.580 2.232 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N(C)C)CC1 1760382293 NHUMTDLPOMJANR-PKOBYXMFSA-N 432.594 2.348 30 10 IEEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760435385 HWKWRXDQZCFNAN-UHFFFAOYSA-N 436.560 2.491 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)CN(C)C2=O)C1 1760539386 NHWBDNJWWJTEDR-LAUBAEHRSA-N 426.477 2.113 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1762611641 PCGXHCPOHNTXDK-HKBQPEDESA-N 435.557 2.107 30 10 IEEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC[S@@](=O)C(C)(C)C 1763095359 BNNGVPAIEKVVKC-WJOKGBTCSA-N 445.593 2.451 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1764188629 VRLGSWZZDQCZQK-FQEVSTJZSA-N 439.564 2.234 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1765656000 FMLLHQSBRRCQSU-UHFFFAOYSA-N 430.472 2.181 30 10 IEEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(C#N)C2)c1=O 1766971313 RBWWXFHRCQIXRH-YDHSSHFGSA-N 440.548 2.362 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2c(C)nn(C)c2C)CCOC1 1767448267 ABILIRQJNANIKE-YADHBBJMSA-N 427.553 2.459 30 10 IEEE CNC(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C#N)C1 1769319647 GDZYRHHSTYLWID-LJQANCHMSA-N 433.516 2.218 30 10 IEEE COc1cccc(OCCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1770382319 HYUONEYLKNDNMI-YLJYHZDGSA-N 427.505 2.379 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1C 1771099872 CTIRVVKMQAWQOA-ATZDWAIDSA-N 429.546 2.286 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)c1 1849844310 UVKJPTMFEHSAOG-HXUWFJFHSA-N 442.516 2.199 30 10 IEEE Cc1nn(C)c(NC(=O)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)c1C#N 1851796484 WAZNKMQSKFNVCH-UHFFFAOYSA-N 425.493 2.305 30 10 IEEE COc1nc(=NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccn2)c(C#N)c(C)[nH]1 1851836042 JROCHAJJNJKAKI-VQTJNVASSA-N 428.496 2.337 30 10 IEEE CS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C#N)cnn2-c2cccc(C(F)(F)F)c2)C1 1852761578 VOAJBHODVDXPPG-LBPRGKRZSA-N 441.435 2.373 30 10 IEEE C[C@@H](Cc1nc(-c2ccccc2)no1)N(C(=O)CC#N)[C@@H]1CCc2nn(C)c(=O)cc2C1 1853505892 NHDKEKNKJUQHAP-MAUKXSAKSA-N 432.484 2.061 30 10 IEEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1863430209 WGPQSGIKLBOPBQ-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE CC(C)OCCCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933416 GIXXSASQCTYDMN-LJQANCHMSA-N 447.532 2.407 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(N(C)C)cc3)CC2=O)cc1 1870159316 KTEMVWCWZDYLFK-OAHLLOKOSA-N 445.483 2.205 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1C[C@H]1CCCO1 1870668703 HCHMAFFACRFEJD-HXUWFJFHSA-N 434.533 2.160 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871559095 KLMXDAPKUXJCPG-UHFFFAOYSA-N 437.592 2.334 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc(N(C)C)ncn4)CC3)n[nH]2)c1C 1889922292 GWJVHAFCUTZEKL-UHFFFAOYSA-N 449.563 2.285 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 1890025778 OWWBBPGITBQYQX-FGZHOGPDSA-N 429.586 2.304 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 1993339567 OLHKJDIJDZQEFL-HOTGVXAUSA-N 425.526 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC1 2060628421 XCPRXAFSAXZTFD-VQFNDLOPSA-N 435.374 2.090 30 10 IEEE C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2068019979 BHPIENPOIXSZJE-LLLHUVSDSA-N 435.374 2.134 30 10 IEEE C#Cc1cncc(-n2nc(C3CNC3)c(Br)c2I)c1 2070640939 YSVDWAOIZPDVIF-UHFFFAOYSA-N 429.059 2.303 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247963264 WBOQANONHBXJHS-XYPWUTKMSA-N 442.387 2.349 30 10 IEEE C=C(CN(C)C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248441845 OCPNRTRROSGLNL-INIZCTEOSA-N 425.379 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630314 IKEIFMIRUZMFIF-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2255654956 GIOMDMKOJHCCFV-LZPWWVKNSA-N 438.330 2.184 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255701576 SYYMDUXBOLFGOW-HUUCEWRRSA-N 437.321 2.391 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255826782 RYYVFZXAQJWSPM-CQSZACIVSA-N 434.346 2.086 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255830562 IAAQMJMZFBXODZ-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE COC(=O)[C@@H](CC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2256594845 DLEHAMAVAMAWEU-OAHLLOKOSA-N 438.330 2.233 30 10 IEEE CC1(C)C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267134916 WFHUPACFJDOOIQ-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267176059 UVUSJRHHYNCDKH-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267265366 FCZPRLATWFCBAK-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267510680 PFYRICXBAFLEBD-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE Cn1ncc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2267510825 RSVXYPFFDGHNMX-UHFFFAOYSA-N 448.373 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2267513225 UONYQJQACBNWPC-LJISPDSOSA-N 446.357 2.131 30 10 IEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267549664 OFOBPMCQUWFYRR-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268652638 VPGYYYPWCAWICT-FPTDNZKUSA-N 447.341 2.249 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2269709491 OGCDMLCEJFHIBY-HZPDHXFCSA-N 443.353 2.284 30 10 IEEE Cc1ccc(CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701773 MEMMBRPZOXBLCW-KRWDZBQOSA-N 448.369 2.044 30 10 IEEE CN(C)CC1(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2320687823 JCGPIEOQPFEBBP-UHFFFAOYSA-N 433.358 2.311 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc[nH]1 2330718061 QEOYWZVPHPARKH-UHFFFAOYSA-N 425.518 2.472 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCN2CCN(Cc3ccccc3)CC2)[nH]1 2336957173 MPCPMKVDBPDQJG-UHFFFAOYSA-N 436.409 2.341 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2337187135 BCWGEURVBQHXIF-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2337200294 GJGWZVUDNOFYMH-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE Cc1cc(CN=c2nc(CNC(=O)OC(C)(C)C)[nH][nH]2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343646187 GCVNSDKNDGMCCB-UHFFFAOYSA-N 443.357 2.471 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cn1 20920697 DLRRQSVHPHEKIQ-AERZKKPOSA-N 435.464 2.224 30 10 IEEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(N(C)C)cc3)n2)o1 59878816 WIZZHBDGPQGNJF-ZVBGSRNCSA-N 443.537 2.232 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(C)c2)[C@@H](C#N)C(=O)N3)CC1 72444742 OTFDPGWMQZXFKY-SJORKVTESA-N 435.484 2.082 30 10 IEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1 102691581 QNVCIOGWBCBELW-SADKCHQCSA-N 437.496 2.234 30 10 IEEE COc1c(Br)cc(/C=N/Nc2cn[nH]c(=O)n2)c(OC)c1Br 169888117 WOHNRYRPCHIATO-SYZQJQIISA-N 433.060 2.153 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)OCC(=O)N[C@H](C)c1ccccc1 242750920 DGTFEYJTUKHKQO-OAHLLOKOSA-N 432.498 2.405 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3cc(F)ccc3F)C(F)F)CC2)o1 434662443 CBFPJADDMWEPKM-KRWDZBQOSA-N 425.386 2.378 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3ccc(C#N)cc3C)cc2)CC1 439077538 JJOCDVBPOSUNLV-UHFFFAOYSA-N 434.540 2.382 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 461325023 UAVVKSKIYBGONG-UHFFFAOYSA-N 446.504 2.444 30 10 IEEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461745971 NHSSBTRWRXYWQK-UHFFFAOYSA-N 440.485 2.307 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 471493124 KRLANJDAWLTBIV-UHFFFAOYSA-N 435.528 2.164 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1 472929579 OSMNOARMZCQQPW-UHFFFAOYSA-N 427.480 2.251 30 10 IEEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 480348586 NLBAHJWYZSPJRP-HNNXBMFYSA-N 436.925 2.285 30 10 IEEE CC(C)n1ncc2c1C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 481134678 BPEYHRKDSPAEKZ-HKUYNNGSSA-N 434.500 2.214 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C[C@H]3CCCO3)c2=O)o1 488122438 VHKSQYNIGHUCGQ-LJQANCHMSA-N 449.532 2.156 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 501961551 WNXHPGOROWVQHV-OAHLLOKOSA-N 428.518 2.373 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2C1=O 504118739 IQGGYRNXVOPTMJ-HXUWFJFHSA-N 428.448 2.266 30 10 IEEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 506863917 YNBYFVOBSCXKBD-MOPGFXCFSA-N 444.557 2.383 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(CC)s2)CC1 508497280 KKSQPMMCAXZXQR-INIZCTEOSA-N 435.619 2.312 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 508855497 HNMUMALCHHTBKH-UHFFFAOYSA-N 438.580 2.474 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1-c1ccccc1C#N 511086189 OMONFJIOJZXMNS-UHFFFAOYSA-N 440.528 2.138 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 521540195 SPVNQEMCXWGMNY-UHFFFAOYSA-N 445.444 2.237 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C[C@@H]1CCCO1 532108736 FVOKOOYABRBLNK-IBGZPJMESA-N 448.548 2.003 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cn(-c2ccccc2)nn1 542617689 FUFVPLXMTODTOZ-XLIONFOSSA-N 435.557 2.388 30 10 IEEE C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 549685998 RBJRAOAGNLCMTB-HXUWFJFHSA-N 427.597 2.091 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 552269336 WLHINAVUKBIKMA-AWEZNQCLSA-N 447.479 2.072 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 560842008 GLSXAKHRAGBJGJ-QGZVFWFLSA-N 428.514 2.369 30 10 IEEE CCOc1ccc(OCC(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)cc1 586394266 NDHRJKYQLZSSHM-UHFFFAOYSA-N 437.496 2.337 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c(F)c1 586864449 VPBAIPVRXVMTTE-UHFFFAOYSA-N 436.487 2.007 30 10 IEEE CCCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729671316 FWOLOZWBBFBFKY-UHFFFAOYSA-N 447.495 2.248 30 10 IEEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(C#N)cc2F)c1 729853960 QFZJNTPXZAWOTE-FNORWQNLSA-N 434.445 2.379 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)CCN1C1CC1 732669908 IDBBLXMYAYTSCY-HNNXBMFYSA-N 435.443 2.464 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1C#N 747497640 GUNFGDDEMTVOAY-UHFFFAOYSA-N 430.468 2.417 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2ccc(CO)c(F)c2)c1 749194068 SRDHCGAPHIEDTM-CLCOLTQESA-N 434.493 2.453 30 10 IEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(=O)O 757301105 RYXCWVLTHPTAFS-LEWJYISDSA-N 438.480 2.422 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 758224798 XFQUBBLROGFUOR-VQTJNVASSA-N 448.608 2.134 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2OCC#N)CC1 760970173 CMJBLTFRPHLRAA-UHFFFAOYSA-N 435.481 2.107 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccnn1-c1ccc(F)cc1 789969245 WFPQLBLHMFDEDT-UHFFFAOYSA-N 440.508 2.489 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 797548018 ROEUCJCFQLRRAY-LJQANCHMSA-N 427.482 2.305 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)cc1 798351880 FVUBOYWENDHHQV-OAHLLOKOSA-N 425.470 2.450 30 10 IEEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C(=O)NCc1ccc(C#N)cc1F 804161851 CSTJQFWNZOXNGI-SUMWQHHRSA-N 448.495 2.190 30 10 IEEE C#C[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)c1ccc(Cl)cc1F 804421024 IDVUKAXGXFDLCI-HNNXBMFYSA-N 428.844 2.307 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 810980526 BBEDCQKMXPVQCI-ROUUACIJSA-N 430.480 2.375 30 10 IEEE COCCn1cc(C=Nn2c(-c3cccc(OC)n3)csc2=NC[C@@H]2CCCO2)cn1 811626810 NSMJIMNFXZUVRK-KRWDZBQOSA-N 442.545 2.425 30 10 IEEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 812206053 SXNTYRFRNAZDGU-SHCNBLLESA-N 427.505 2.039 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)c1ccc(F)cc1 812525814 NKSDAHQOHJLBKU-MRXNPFEDSA-N 426.491 2.249 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 813723198 BDMODUDGGRFFHV-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE Cc1cc(C)n2nc(CCCNC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)c(C#N)c2n1 826760154 WAVFLRNLLAALLJ-KRWDZBQOSA-N 434.500 2.412 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCCCOC(=O)C(F)(F)F)n[nH]1 1084494257 HQZLEHKALHNULA-UHFFFAOYSA-N 449.459 2.034 30 10 IEEE C#Cc1ccc([C@H](OC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)C(F)(F)F)cc1 1128968899 SNIDIQAOMLDBOR-INIZCTEOSA-N 431.370 2.382 30 10 IEEE COc1cc2ncn(CCCC(=O)N3CCC4(CC3)CC(=O)C=CO4)c(=O)c2cc1OC 1134302379 VDRMOSFQRJXXGI-UHFFFAOYSA-N 441.484 2.058 30 10 IEEE C#CC[C@H](NC(=O)[C@H](CCC)NC(=O)NCc1ccc(Br)cc1)C(=O)OC 1141995050 GYRKJJSCBSLSPL-HOTGVXAUSA-N 438.322 2.098 30 10 IEEE C=C[C@@H](C)ONC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1144582316 HCPRZOPFBRUYIG-BXUZGUMPSA-N 437.381 2.471 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1150569176 ZSTIBUJDDRDOPF-ZWKOTPCHSA-N 438.956 2.435 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(C#N)s1 1162247870 CAUGBXSEJKTLTB-HNNXBMFYSA-N 427.548 2.475 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1[N+](=O)[O-] 1184775647 RMZLPTMXHIUVAW-UHFFFAOYSA-N 426.376 2.395 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286350636 IFTLKFMTSSPTBE-OAQYLSRUSA-N 438.551 2.164 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NC(C)(C)C)CC1 1286478718 JWAMLXOWHNVWBD-UHFFFAOYSA-N 444.530 2.207 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286505724 LAQASEKXGIJHSA-GOSISDBHSA-N 444.992 2.445 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1286580613 AUIFSXUIYZLQIF-INIZCTEOSA-N 439.607 2.432 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1(=O)=O 1286583207 NNBYEWOYEBMDSQ-KSZLIROESA-N 426.583 2.372 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286606829 CJWWYTRLYWISHF-GOSISDBHSA-N 435.532 2.390 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1Cc1nncn1CC 1286744280 CRYFIMKJMIMRRZ-UHFFFAOYSA-N 438.511 2.392 30 10 IEEE C=CCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1286778336 ZYUUBBIGLYXJPG-KDOFPFPSSA-N 431.459 2.010 30 10 IEEE C=CCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1286778337 ZYUUBBIGLYXJPG-KSSFIOAISA-N 431.459 2.010 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(C)CN(C)C1=O 1296864811 ZXIJGSYBRUFUAC-AOMKIAJQSA-N 426.521 2.330 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)ccc1F 1298656928 OUIOWOVFTWWZBO-UHFFFAOYSA-N 445.472 2.063 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1300495411 HBTIFBVFARVPEV-ROUUACIJSA-N 448.614 2.411 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)c2ccsc2)CC1 1300703819 TTWGKWUEQPYHLR-OAQYLSRUSA-N 442.614 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1300863905 WGBYNQHZIRRQQE-FHWLQOOXSA-N 447.580 2.172 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1301424625 NFCXGSLRPRSYAM-IBGZPJMESA-N 447.605 2.242 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1301439805 HIKWPQRMNDVZPQ-LEWJYISDSA-N 433.484 2.192 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1301520084 BQVULMQYOZXZJQ-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C2OCCO2)C1 1301536705 YYOBEBSSORXKHY-SFHVURJKSA-N 441.532 2.291 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1301952060 GEIDLNRYVRNAFU-JKSUJKDBSA-N 444.511 2.435 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC=CO1 1302038898 RNJZULYWRSABTR-MAUKXSAKSA-N 440.504 2.230 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1303502377 NBFDKNCPZCQLBO-AUSIDOKSSA-N 446.596 2.310 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cccc(F)c2)CCOC1 1303507296 UEUZOKKEAUJYLV-SIKLNZKXSA-N 445.495 2.266 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 1303556751 KYOVZGVSBVMHDA-MRXNPFEDSA-N 427.364 2.217 30 10 IEEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCO[C@@](C)(C#N)C2)C[C@@H](C)O1 1304193845 YPWVBUGZVQYGTJ-DMPWYTOCSA-N 441.557 2.477 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1305754571 FXIDHKIMQTYTOK-JTSKRJEESA-N 449.575 2.139 30 10 IEEE CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1309775683 HRTVUPXJMPAJRM-UHFFFAOYSA-N 443.525 2.392 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)C1CCOCC1 1313043676 SWXMYEUNBQAIPL-KBXCAEBGSA-N 427.314 2.467 30 10 IEEE COCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1315859909 FITLPJPBEAFIFT-KKSFZXQISA-N 446.577 2.213 30 10 IEEE COCCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN/C(O)=C1/N=CC=CC1=O 1316057179 PPEBUAKJOMTGGB-VZCXRCSSSA-N 436.472 2.300 30 10 IEEE CCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC1=O 1355382240 ICWRZYMRQZXBFP-LTUQMTLXSA-N 434.562 2.477 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1358921720 HJQZAROYJHMZEA-CYBMUJFWSA-N 442.383 2.329 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCO[C@@H](C)C1 1358941750 WMZSUPNIMOTOIT-ROUUACIJSA-N 445.589 2.470 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1358958319 LKFGYWCFXKPDPL-HXUWFJFHSA-N 438.557 2.100 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1359015302 PCZVFBQXDUAIQW-MUGJNUQGSA-N 433.597 2.349 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCC2)CC1 1359030428 VZKZLNAOVDNSCC-LJQANCHMSA-N 426.540 2.408 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 1359135230 WPBRGPQQUNAAEW-UHFFFAOYSA-N 426.565 2.158 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(C)CN(C)C1=O 1359255340 VCJBBNCHMWJORH-MBSDFSHPSA-N 425.533 2.462 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359301171 UIRUBIFXBFQZHO-UHFFFAOYSA-N 430.597 2.398 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1455704064 KPWDZAYPUHMEFQ-HOYKHHGWSA-N 447.535 2.100 30 10 IEEE O=C(Cn1nnc(-c2ccccc2[N+](=O)[O-])n1)NCC#Cc1cccc(C(F)(F)F)c1 1459285921 XOMYRWDEJNMDMN-UHFFFAOYSA-N 430.346 2.435 30 10 IEEE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1460875114 KJUYDMKVWZNCHP-UTLUCORTSA-N 438.275 2.255 30 10 IEEE CN1C[C@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1463084169 BSBIUYGFVLCFBY-LJQANCHMSA-N 426.517 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCCC[C@H]12 1464925204 MTXTVOBXIBHLTA-UTGIIRSRSA-N 432.521 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N3CCN(C(=O)CC#N)CC3)C2)C1 1465872067 AOCBAZAYNFPHQK-ZGOJQLDESA-N 436.578 2.140 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc2C1 1466903051 DQPKAFWTQVNVAV-MBNYWOFBSA-N 449.533 2.302 30 10 IEEE N#C[C@]1(C(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)CCCOC1 1467528117 KIVOPTZTCPDQPJ-LJQANCHMSA-N 430.306 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1471145619 VHDYRPVBCBEIOL-RTWAWAEBSA-N 439.560 2.362 30 10 IEEE C#CC1(O)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 1472246377 ABIRQQBLTMLTFC-UHFFFAOYSA-N 426.538 2.283 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1478786458 PTHKCAQNSOPIIS-UHFFFAOYSA-N 442.470 2.100 30 10 IEEE CN(CCC1CCOCC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503586449 DRFBTMFFOUYLTE-MRCUWXFGSA-N 428.537 2.010 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507572351 GZXXDIAYGYPXKR-SFHVURJKSA-N 438.532 2.361 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCCC1 1507609067 WGOWDVFKBDJPQP-KRWDZBQOSA-N 429.594 2.040 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507633444 DSNWOKPTQMOEKL-WDSOQIARSA-N 431.537 2.029 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1507709894 DLZQWVPJAQSCBB-IBGZPJMESA-N 441.486 2.402 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCOCC1 1507817798 QDWHVPNXFIQIEC-UHFFFAOYSA-N 448.593 2.182 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507830962 RENFFGQAGXPNJO-FQEVSTJZSA-N 444.530 2.466 30 10 IEEE Cc1cscc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1511482236 FQTZINSTJQHFFD-HNNXBMFYSA-N 428.543 2.417 30 10 IEEE CCSCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1516933619 RLGLSHWCHHKTHH-SFHVURJKSA-N 442.593 2.324 30 10 IEEE CO[C@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1517804172 VQZJRMAXNPVYFE-JKSUJKDBSA-N 449.437 2.213 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CC[C@@H]2COCCO2)cc1 1521090042 OMNKZURRJXFNBK-GOSISDBHSA-N 432.475 2.009 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 1529819075 JGKWNXWOSGWCMU-SJORKVTESA-N 427.567 2.389 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1 1531180734 FFGIQMONAPIBJG-UHFFFAOYSA-N 436.574 2.453 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539216545 UTJWLEFJGLVOJW-KRWDZBQOSA-N 432.521 2.173 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539216947 YBWCUMUERWUOIN-SJORKVTESA-N 441.557 2.336 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1539350671 UNPGPRWSXVLVCA-SFHVURJKSA-N 443.573 2.067 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CC1 1539473828 CUMKDLYTLCBFTN-DYESRHJHSA-N 432.528 2.208 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1539744843 YKBOCXHMXHEAIL-PKOBYXMFSA-N 446.596 2.199 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1540057812 JDBDRTJGCWJCLN-UHFFFAOYSA-N 435.536 2.382 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](CC)C1 1540875857 ZWBQJNCFTOEPLS-MRXNPFEDSA-N 431.562 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccsc1 1540907100 LKHHCGAUSSFKOS-KRWDZBQOSA-N 449.602 2.404 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O 1544162117 IERGMXMWTDWWCG-KBPBESRZSA-N 435.488 2.133 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C 1545057970 CHNGSDDJVSWZLV-KBPBESRZSA-N 436.438 2.499 30 10 IEEE CCc1nnc(N2CCN(CC3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546540556 RNTNFOQHWARVAV-QURGRASLSA-N 441.580 2.069 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547703180 ABMNAMDCHDLQMM-IIBYNOLFSA-N 446.600 2.102 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)CC1 1548293327 DGUCOPKIMBGISE-QFIPXVFZSA-N 443.573 2.381 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)(C)C 1554666700 FUNQLSMKLRIFQB-LPHOPBHVSA-N 440.548 2.457 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC[C@@H]1C 1555188488 RTCYIIYRJFPSJD-PXNSSMCTSA-N 436.520 2.272 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@H]2CCCO2)c1 1555986541 NIOWQKRLAQFFEP-QGZVFWFLSA-N 439.438 2.373 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1557242505 BKABFVQDUCRYBZ-ROUUACIJSA-N 430.505 2.052 30 10 IEEE Cn1nncc1C1(O)CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1558091043 BFEYEJIEDZYIKU-UHFFFAOYSA-N 426.292 2.448 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)COCC3CC3)nnc12 1559010397 WDJYRHGUJXLLQU-AWEZNQCLSA-N 427.530 2.254 30 10 IEEE CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n[nH]2)c1C 1565630112 RXSGYWMIPKUVBW-DJAIZDMLSA-N 425.493 2.117 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 1583870202 CQLDNCDDYBKITL-GHTZIAJQSA-N 440.569 2.000 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1586321393 GCKGGZDVALWRRL-UHFFFAOYSA-N 426.542 2.203 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(C(=O)C(=O)OCC)CC2)s1 1586716884 FYRLXICDBUUDIH-UHFFFAOYSA-N 431.967 2.073 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1587804083 UNLIJLRALIBNKQ-MRXNPFEDSA-N 442.951 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1588138750 IPQXHFFZQKDBQD-INIZCTEOSA-N 438.509 2.056 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1588213902 AMHFEWRMKYQBGU-GOSISDBHSA-N 425.537 2.445 30 10 IEEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)C1CCN(C(=O)c2ccc(F)cc2F)CC1 1588774729 DSUYJVWVHNWCLU-CYBMUJFWSA-N 430.320 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccncc2Cl)CC1 1588913395 JKKYAYKUTLHFSB-UHFFFAOYSA-N 435.919 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2cncn2)nc1 1589134074 DDEQKYFIGSYQOQ-HSZRJFAPSA-N 447.547 2.213 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1589150825 LWNHCQIMDCNCAT-IIBYNOLFSA-N 447.609 2.090 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCN(C)C2)CC1 1594024051 QXZKBCCZIZISCU-IBGZPJMESA-N 435.370 2.269 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1595529859 KBAARBLAHXVMCY-UHFFFAOYSA-N 448.575 2.082 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1nccs1 1595551599 SEICPRDDYKHYLO-MRXNPFEDSA-N 426.502 2.186 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)OC)CC1 1595778052 VCYWDCVNCDHYKW-UHFFFAOYSA-N 432.546 2.244 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1595796681 BIWGHEYOLHHJBZ-QGZVFWFLSA-N 448.545 2.138 30 10 IEEE CC(C)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1608078098 FVFQGTOEWYMVGZ-VQTJNVASSA-N 448.637 2.431 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1611757001 CIWHTGVZEROWAX-AUUYWEPGSA-N 429.435 2.076 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1)C(=O)OC(C)(C)C 1617281452 KNLKRZVZEZZVOC-IBGZPJMESA-N 443.544 2.303 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1617584892 HXDVCLPWKVQRNG-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)C1[C@H]2CCC[C@H]12 1617780776 RYHDCAYTRKZWEG-HOTGVXAUSA-N 430.459 2.345 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)C2=O)cc1 1618732950 YUFCMPQRRDQFRS-SFHVURJKSA-N 438.434 2.472 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1619628614 YBYBXAFFKFVUFC-KRWDZBQOSA-N 431.468 2.103 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1619844768 CAUTXWTZTPVGIN-FXAWDEMLSA-N 440.548 2.221 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)cc1 1622929372 HSWTYOJGCPXNBB-UHFFFAOYSA-N 432.521 2.486 30 10 IEEE CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1624067186 HNOPDGLWFGEDER-UHFFFAOYSA-N 446.916 2.317 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1)C(=O)OC 1626187874 KPZROGREVSORBF-KRWDZBQOSA-N 440.452 2.016 30 10 IEEE N#C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 1629249255 PFHWLKDSVNTWMF-QGZVFWFLSA-N 433.461 2.036 30 10 IEEE COC[C@@](C)(C#N)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1631167763 YOKRZAXWTXXBFE-LJQANCHMSA-N 442.467 2.446 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CO1 1633661983 BTMDFGHYAPWTPG-MWDXBVQZSA-N 437.537 2.389 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)c1 1635478289 ZXHMXZPMKPLBAA-UHFFFAOYSA-N 449.536 2.403 30 10 IEEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(C(=O)CC#N)CC1 1635737360 LZDWTYBWQBBXCT-KRWDZBQOSA-N 446.507 2.498 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)Nc2cc(C#N)ccc2O)cc1 1637620527 UFTWJLSGEBHTTA-QFBILLFUSA-N 429.498 2.150 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-n1ncc(C#N)c1N 1640347340 IAQIBEQMSZTGSP-MRXNPFEDSA-N 427.509 2.110 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4nnc(N)o4)C3)C2)C1 1642473266 STAJBZQAFPHGJM-IVASOFTHSA-N 430.509 2.145 30 10 IEEE C#CC[C@H](COC)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1642765357 MLMMDKFBBWSSPB-HXUWFJFHSA-N 428.510 2.136 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)OCC 1656400709 XDEMWFFMYMUGAR-MRXNPFEDSA-N 432.901 2.414 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OCC)c(Br)cc2F)CC1 1656624440 OMLATAZRHULTRR-UHFFFAOYSA-N 448.310 2.304 30 10 IEEE C#CC1(O)CN(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)C1 1671790218 VJSGYSBGJVJGKX-UHFFFAOYSA-N 445.497 2.107 30 10 IEEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CCO2)cc1 1675450072 KDOBSZPHQRWORE-FPOVZHCZSA-N 425.510 2.212 30 10 IEEE C=C(C)CONC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682405577 ZZIKFWVMOQUBKV-DLBZAZTESA-N 437.541 2.071 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)nn1 1683315653 YIWMRCLPCUAELO-INIZCTEOSA-N 426.525 2.405 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cc1 1684998097 UKZPGYWTDCESRB-SEJPIABJSA-N 430.574 2.131 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1689994032 PQEGQWOYDSWBDI-QGZVFWFLSA-N 427.555 2.000 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1C1OCCO1 1690030018 MTUCPJQGMATUTD-FPOVZHCZSA-N 436.512 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1690039728 QQFAHIRRFHIPPO-GOSISDBHSA-N 433.537 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCO[C@@H]2CCOC2)CC1 1690139300 GWJKKJSORAVODN-LJQANCHMSA-N 441.532 2.008 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1690308220 GFQUIHCBNJWLEO-UHFFFAOYSA-N 442.593 2.358 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690312748 BWFKRXODLWPWMQ-OALUTQOASA-N 438.594 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)c1cccs1 1690665413 CCDXNOPJHYGSIK-HNNXBMFYSA-N 449.544 2.482 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1690676180 RWQZJYQPQMEIKD-HZPDHXFCSA-N 426.546 2.361 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cncn2)cc1Br 1693114757 OUZDKGVRDJPAOQ-HNNXBMFYSA-N 443.309 2.037 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(C)(C)O)n1 1693195405 DHBYOXLUZYHVAU-UHFFFAOYSA-N 432.532 2.403 30 10 IEEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCOC1(C)C 1693871645 AGAPJICRLVOTPX-CQSZACIVSA-N 448.474 2.114 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1695916305 CNHICWYQUCTRIO-JOCHJYFZSA-N 444.511 2.470 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1698063986 QYIDPDHWBAENCQ-UHFFFAOYSA-N 425.445 2.286 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2CCOCC2)n1 1705632310 ZPOYDRWLJQZXDH-FQEVSTJZSA-N 442.564 2.081 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705664028 VHLFWFOWTQXQLU-UYAOXDASSA-N 439.585 2.153 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cl)C1 1705916491 PNHUTTWXOILCNQ-GOEBONIOSA-N 439.969 2.371 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1705935114 HONOLMSFPVFGGE-SFHVURJKSA-N 445.589 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CC)C1 1705936831 ZHMSXXFGZGHODQ-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1706530836 WHUHRNVPAFJJRB-LJQANCHMSA-N 446.577 2.007 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1708332462 NCFGHVFYKKXRHQ-ANPUBGQYSA-N 425.533 2.487 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H](O)C1 1711245061 NJDGPZFZWNSNGF-VNQPRFMTSA-N 449.353 2.326 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1722341479 GIQIKCPRQABGDE-UGKGYDQZSA-N 435.528 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](F)C1 1722375893 TYAXIQRUHGVISA-MJGOQNOKSA-N 443.548 2.406 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCOCC1CCOCC1 1722464813 SIMBUPBWWWPHLN-HSZRJFAPSA-N 429.565 2.340 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1722471094 RFDCWOYVAUZEOE-PPEFQKSUSA-N 446.511 2.472 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1722675404 MEWFPPSFDQZPEN-DEOSSOPVSA-N 439.560 2.441 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)C2)cc1 1722704068 BOLZCJGZFLJHKE-GOSISDBHSA-N 446.573 2.409 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1723867319 KIOMDPGMBOBFAB-SFHVURJKSA-N 444.605 2.420 30 10 IEEE CO[C@H](Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C)C1CC1 1729903783 FINQMFATHVVSFV-GOSISDBHSA-N 426.569 2.241 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1730726951 UIMINMGJSLONHL-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1731188219 HBBDDGCTWCDVHT-LJQANCHMSA-N 434.610 2.186 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(O)CCN(C(C)C)CC2)c1 1740564166 CZDQNTHVQLXEJR-UHFFFAOYSA-N 438.576 2.132 30 10 IEEE C#CCCCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1740580110 YXJXBSIPVSEPAA-CVDCTZTESA-N 431.581 2.427 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCCC1 1740613213 YFVGLKRYDRGKGM-UHFFFAOYSA-N 435.620 2.198 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740618504 IRCCGYZHNIAGRF-NFBKMPQASA-N 442.585 2.295 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnn(C)c1 1740647761 UECKKVCQXLEKPD-UHFFFAOYSA-N 434.500 2.216 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1740774501 UDTBONZQPAIGTH-HSZRJFAPSA-N 438.580 2.333 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCC2 1740776585 UFIGXWMTCDJOTL-UHFFFAOYSA-N 426.550 2.258 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1740794018 YSPDLQFNJRMZTL-NRFANRHFSA-N 438.576 2.361 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740842948 RKJMQPLUWCJVQV-MRXNPFEDSA-N 425.599 2.422 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1741274745 QQDPUQDABYFBPI-LJQANCHMSA-N 437.548 2.036 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CCCO 1748657423 AXRLPINTGVMVOC-PKOBYXMFSA-N 425.533 2.021 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748810254 VABFRBMDXWZDOZ-TZIWHRDSSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)nc1 1748887908 IQWRPIIFXXKOTG-NRFANRHFSA-N 445.571 2.372 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1748962677 NWORXVUAFLBGJQ-HXUWFJFHSA-N 435.532 2.196 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1749033949 SAKGQLLXXIIYFP-KURKYZTESA-N 446.621 2.117 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749037812 GLVZWAOUBCVDDY-ZVDOUQERSA-N 447.649 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(CCO)Cc1ccccc1 1749115198 NFZUWMRWOXKCLI-PMACEKPBSA-N 427.549 2.396 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749272198 MAJHBFFPARXYHL-UHFFFAOYSA-N 444.967 2.103 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1749312557 NMMFXOPBVJORBR-UHFFFAOYSA-N 436.516 2.134 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749403086 WKSJIUNECQVPNX-LJQANCHMSA-N 439.564 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749655375 JKZUYCZNEOPLLO-XJKSGUPXSA-N 449.353 2.343 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)C1CC1 1750202888 OIVJRFVHBLGPHQ-UHFFFAOYSA-N 436.497 2.343 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1750312775 FBUSTZPQHLISNC-UHFFFAOYSA-N 428.562 2.431 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1751090334 BCMYZGPZESWRGL-AOIWGVFYSA-N 443.577 2.283 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCCO1 1752271787 MWSGWEYPVDMUIC-FXAWDEMLSA-N 438.532 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccs1 1760102610 NFXHWRKDVLUCHU-CQSZACIVSA-N 430.559 2.158 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)C(C)C 1760216710 YDNJCWMEIIXZHX-UHFFFAOYSA-N 445.571 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cc(C)nn2C)CC1 1760256149 DOLXOVZSGUWRLB-SFHVURJKSA-N 437.523 2.403 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760416000 RDFKQDCVNHXUQS-UHFFFAOYSA-N 427.553 2.237 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1)C1CC1 1760476253 LLIMXEGCELRIGH-UHFFFAOYSA-N 439.507 2.386 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1760530149 QUCARNONGFOAEW-YLJYHZDGSA-N 437.500 2.247 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(OC)c2)C1 1760543872 TUZQPPNRUQBTCT-ICSRJNTNSA-N 446.573 2.213 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)C 1761396151 IBLWNRMQVSGGLX-QFBILLFUSA-N 430.578 2.170 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCc1nc2ccccc2[nH]1 1761462805 ARYIFENQYUAYSE-HUUCEWRRSA-N 444.565 2.136 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(Cl)nc1 1761474071 XEHHLPGYMZJZEK-ZDUSSCGKSA-N 437.957 2.115 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1Cl 1761510318 GXOJJORYJUMPGC-UIAACRFSSA-N 432.887 2.232 30 10 IEEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1764071595 GEADSCZDSVCBKK-HXUWFJFHSA-N 436.564 2.105 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1 1766979581 CDLZNIFPPZSQMZ-GOSISDBHSA-N 436.520 2.251 30 10 IEEE COC(=O)Nc1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1767960809 AGJNOWYSLHKTMG-OAHLLOKOSA-N 447.503 2.190 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCOCC1 1772516374 CAXSVPXXTITBAG-LJQANCHMSA-N 425.508 2.180 30 10 IEEE Cc1cccc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1C 1851203030 ANVLACWBAWUCEQ-NRFANRHFSA-N 447.539 2.288 30 10 IEEE CC(C)(C)n1ncc(C#N)c1NC(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1 1851573220 LRWOJVCDKXLZKR-UHFFFAOYSA-N 437.548 2.458 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)COc2ccccc2Cl)C1=O 1854352039 RYOYVDPYMSUPQV-ROUUACIJSA-N 433.936 2.345 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2C(=O)CN(CCC#N)c3ccccc32)cc1 1856132618 NIBQTWRQQSIQKM-UHFFFAOYSA-N 427.482 2.152 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862479624 LVLMEBLKKYDJAB-FQEVSTJZSA-N 436.464 2.496 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 1862747891 WPPQNBFVNQUCSM-GOSISDBHSA-N 427.388 2.448 30 10 IEEE C=CCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCN(c3ccccn3)CC2)n1 1871693646 JNVBPELBEWPUCG-UHFFFAOYSA-N 431.548 2.423 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1873710388 BZMKOXARGQBSGU-UHFFFAOYSA-N 445.501 2.055 30 10 IEEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)cc1 1874429831 DXURVCIBJNBFFJ-WSDLNYQXSA-N 432.550 2.156 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1889598177 KVIXTVMZKKCSAT-UHFFFAOYSA-N 437.581 2.025 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cnc(N4CCN(C)CC4)nc3)n[nH]2)c1C 1889844298 XUBSQCYTRUPRPT-UHFFFAOYSA-N 435.536 2.260 30 10 IEEE CCOC(=O)N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1890584514 ZTEFZFMUYNXFKR-WOJBJXKFSA-N 444.557 2.252 30 10 IEEE C[C@@H]1[C@@H](n2cnc(I)c2I)CC[C@@]1(N)C#N 1984378910 CERGTJVIAVRCFL-MATHAZKKSA-N 442.042 2.284 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C=Cc2ccc(-n3ccnc3)cc2)CC1 2040474559 MXBWVRMVGZWKAJ-UHFFFAOYSA-N 447.520 2.290 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124533003 MZGFAFGXKIHOPC-GOSISDBHSA-N 448.369 2.184 30 10 IEEE C=CCn1ncc(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)c(Br)c1=O 2162295918 JFSXCNHEHXTWGX-LLVKDONJSA-N 445.314 2.060 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243434982 ITZNPTWKVCQNJS-KUHUBIRLSA-N 428.360 2.103 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2247822514 GCUMOGUUELFFDS-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE Cn1nc(C(=O)NCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247914710 PIVDLSFBOJKMAR-UHFFFAOYSA-N 442.753 2.017 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255655219 JGXDUXSJWJLMGU-LJQANCHMSA-N 427.354 2.379 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@H]21 2255696477 USWGFZZRVYVXFV-DLBZAZTESA-N 429.326 2.215 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874504 WFYBWAUGBZOYNH-HOCLYGCPSA-N 433.358 2.452 30 10 IEEE Cn1nc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267138010 RQSMUAYFVMPTNE-ICSRJNTNSA-N 436.365 2.066 30 10 IEEE CN(Cc1ccccc1)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2267189235 XQXFFSQTQHPNJM-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267226442 ZGFMMJBRIVMSGS-SZMVWBNQSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267269450 FCYBEODZGUQRNK-SFHVURJKSA-N 446.353 2.352 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502949 VWOHTQSQQZQRAI-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525527 FTSUKZWICKWNHT-XMMPIXPASA-N 438.381 2.422 30 10 IEEE Cc1cc(S(=O)(=O)NC[C@H]2CSCCS2)sc1B1OC(C)(C)C(C)(C)O1 2282835156 PXJNJYKBKYYUPD-LBPRGKRZSA-N 435.467 2.483 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2301662547 PVDKJFDNRYFJLM-CYBMUJFWSA-N 440.371 2.317 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2341159870 XZZRCIJHOQMTIW-XIRDDKMYSA-N 445.369 2.452 30 10 IEEE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CC1(C#N)CC1 2364446060 LJLBJIDRWOYAJC-UHFFFAOYSA-N 426.134 2.010 30 10 IEEE CCN1CCN(c2c(/C=C3\SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33478248 LUXSEDGNUYQIQL-WJDWOHSUSA-N 431.587 2.021 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nnc(CC)s3)C2=O)cc1 96546711 QVNVHTBASLLSPY-HXUWFJFHSA-N 429.502 2.461 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 410020902 MUIHPJIWKYDZTC-DOTOQJQBSA-N 433.559 2.445 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1 429953579 XHGZRXNGZPSJGX-HNAYVOBHSA-N 426.498 2.467 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446635773 YHXGUFOKJZYEBQ-ATKRNPRHSA-N 440.592 2.455 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2=O)cc1 487414342 PZPUSMNXOCFZOV-RTBURBONSA-N 428.558 2.403 30 10 IEEE CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491864817 GGHMMCQLWJDYPV-UHFFFAOYSA-N 438.578 2.410 30 10 IEEE COC(=O)c1c(F)cccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506840128 NPSAJTQTFJEHMN-UHFFFAOYSA-N 446.460 2.022 30 10 IEEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN(C)C)Cc1cccc(C#N)c1 544120622 SQTKHDMOUDGLCX-UHFFFAOYSA-N 446.485 2.006 30 10 IEEE C=CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 558110939 XFUCWIIVNXVERD-UHFFFAOYSA-N 440.525 2.339 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C 578177333 MRYMROUNWJMVLU-APWZRJJASA-N 427.505 2.054 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccccc3OC)cc21 586354552 JIPLTSJVHMLJIO-WJOKGBTCSA-N 442.493 2.177 30 10 IEEE Cc1nc(=NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n(-c2ccc(C#N)cc2)[nH]1 610110079 QXIFEGWBOZIDFY-UHFFFAOYSA-N 444.476 2.170 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccc2)cn1 730145042 VLTAVCMYLNDHHL-SFHVURJKSA-N 428.562 2.103 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)n(C)c1 747337016 LNAXWWKMFVHZMQ-UHFFFAOYSA-N 443.573 2.326 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OC)c(F)c2)c1=O 758083357 LNCCMDKYRIMAQT-UHFFFAOYSA-N 448.475 2.085 30 10 IEEE COC(=O)CCCC[C@H](C)C(C)=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 767781864 LYMVAUCLINIMDC-INIZCTEOSA-N 439.582 2.175 30 10 IEEE S=C(NCCN1CCOCC1)NN=Cc1nc2ccc(Br)cc2s1 773004539 FXENLGHKCGODAW-UHFFFAOYSA-N 428.381 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 776884570 KJHFYLSVQLRQAS-UHFFFAOYSA-N 429.521 2.064 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C 800013038 POOCZOUHNWLROG-INIZCTEOSA-N 425.555 2.135 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Oc1ccc(C#N)cc1 807917948 QQZMURVEOMQMOD-UHFFFAOYSA-N 429.498 2.112 30 10 IEEE CCn1cc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cnc(C)c(C#N)c2)cn1 813696687 MCLVUVNMTDNHLT-NRFANRHFSA-N 425.514 2.403 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 915612421 RUYVJCDBWMEZEZ-CQSZACIVSA-N 437.543 2.013 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n1C[C@H]1CCCO1 916197522 WDNBURJTXDOPIL-GOSISDBHSA-N 448.460 2.284 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1nc(C(=O)OCC)cs1 920243374 PXCPUJWIADJBGN-OAQYLSRUSA-N 442.497 2.306 30 10 IEEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 1083915601 FUXCJMGUKSGSKY-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE CC(CC(C)C)=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1084212805 JDBONQYBONSREF-UHFFFAOYSA-N 425.540 2.017 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1127215828 PPQHUMUUHFHHJJ-CRAIPNDOSA-N 427.505 2.488 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1134649810 MTJWATBSJONTNY-BLLLJJGKSA-N 431.992 2.235 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)CCCN1C(=O)OC(C)(C)C 1137757352 DMRJFNFCTJLATC-NRFANRHFSA-N 436.530 2.184 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2COc3ccc(O)cc3O2)nn(-c2ccc(F)cc2)c1N 1141567566 PTZXPCHORRSXSP-HXUWFJFHSA-N 437.431 2.060 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)C1 1255362884 JASGYHXGXCJDQF-APWZRJJASA-N 438.528 2.108 30 10 IEEE C#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)CC1 1277115944 WWQLHJLQKGHVNS-UHFFFAOYSA-N 432.542 2.136 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1286355889 DLNSFSLKOKOKBW-UHFFFAOYSA-N 445.571 2.398 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CCC1 1286379663 ADUACFVGSHJIEC-FUJBLVTHSA-N 435.594 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1286431453 NXBPWZVNHKSIHI-LJQANCHMSA-N 449.536 2.346 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1286471382 MCQIMHLJLWOADD-IBGZPJMESA-N 438.576 2.059 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2c(CC)nn(C)c2CC)CC1 1286492928 BVNZVIVOJMVZAN-UHFFFAOYSA-N 437.592 2.103 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(C(=O)NC)C1 1286548183 RVTHWDWSUUVILC-CEXJFXJFSA-N 446.596 2.140 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cc(C)nn1C 1286768197 UPRJPCOFMFSFNO-UHFFFAOYSA-N 434.504 2.323 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286786907 LSSVHCACWKPMBA-UHFFFAOYSA-N 436.438 2.299 30 10 IEEE C#CCN(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C1CCN(C)CC1 1289196114 YIPNXFAPPVNOBT-UHFFFAOYSA-N 431.327 2.161 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)n1 1290598400 HGIOLFNEUXERBG-FQEVSTJZSA-N 448.575 2.369 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 1295351783 FDCBFCNFUAHALD-CQSZACIVSA-N 429.322 2.287 30 10 IEEE C[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN(C2CC2)C1 1298642350 ZHEJHHCXRNJQJD-QGZVFWFLSA-N 432.590 2.228 30 10 IEEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1300341149 DGLAOCHBYSOBGV-VQIMIIECSA-N 429.496 2.312 30 10 IEEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1300372426 GZJQOOMSTHCGDV-UHFFFAOYSA-N 445.589 2.305 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1300655093 OITCWUWOGRWGDR-QGZVFWFLSA-N 439.541 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[C@H]2C)CC1 1300730602 CGOWIUXLWHCOEE-IEBWSBKVSA-N 437.544 2.488 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1301001089 CFQILHZZIAKOLF-ICSRJNTNSA-N 435.569 2.042 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCN(CC)CC2)CC1 1301059250 UVADCFRMRWBCJV-UHFFFAOYSA-N 431.629 2.381 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301289838 RZBKRTAVKVPKOI-IEBWSBKVSA-N 430.578 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C 1301489916 GSBHMLZSARAMHD-LBPRGKRZSA-N 437.331 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 1301555713 DBBMNJRWHYCHDT-OALUTQOASA-N 446.573 2.327 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1301999255 DXEHKFMSSYDHFH-ICSRJNTNSA-N 434.585 2.099 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCO2)C1 1302290888 WWVPTWXOUAZPIU-XDNAFOTISA-N 446.552 2.347 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCOCC(F)(F)C(F)F)cc1 1302989668 OOEDIIAOZOSXII-CQSZACIVSA-N 440.401 2.045 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CCOCCS(C)(=O)=O 1303628616 DPMYTXFKXHXBPN-HNNXBMFYSA-N 431.518 2.491 30 10 IEEE Cn1nccc1[C@H](O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1304009568 PCFYCEWYSPAOHM-LJQANCHMSA-N 435.509 2.486 30 10 IEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC 1305819228 SJOQPIGXTXOZPL-NQIIRXRSSA-N 429.546 2.257 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ncn(-c2ccccc2)n1 1316164987 JVVMVEZYUFTZFD-QGZVFWFLSA-N 436.520 2.371 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1316353724 AJACLNCTCJURKK-LJQANCHMSA-N 442.545 2.027 30 10 IEEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316540520 LIQRHFJKBHFDMY-ICSRJNTNSA-N 440.523 2.223 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358959101 BOLMGRIGICJQTO-MRXNPFEDSA-N 427.555 2.385 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359055406 CQGMZJDLDVCCMQ-SFHVURJKSA-N 430.622 2.045 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCCOC)C1 1359097404 OONBCDHURVIZFK-IHPCNDPISA-N 430.553 2.292 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1359207340 IBLDBECWTDIHGG-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1359240605 SQRMCMYYPLJEFM-GOSISDBHSA-N 430.578 2.114 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1 1359326950 NRZQOTZJPAYSJT-MRXNPFEDSA-N 446.577 2.399 30 10 IEEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359811044 BUIPRLKSVOSFCQ-FIKGOQFSSA-N 432.523 2.265 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 1444799129 CJBWMXBQZZZEPK-AWEZNQCLSA-N 443.591 2.223 30 10 IEEE N#C[C@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(OC(F)(F)F)cc1 1445083672 BFIRUUWMELBMAV-INIZCTEOSA-N 443.403 2.383 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1454867847 JFVHIONBYCBTTC-NRFANRHFSA-N 443.569 2.090 30 10 IEEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)O1 1460822003 PZXBKQXPVNKYQR-UFYCRDLUSA-N 440.462 2.068 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(C)C)C1 1503272686 BKAIDPMBJVRMCB-IBGZPJMESA-N 446.577 2.007 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1503625144 DHMDXCHXMWTYAS-UHFFFAOYSA-N 440.548 2.350 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1507629710 OSCBJMSWMYKBAL-SFHVURJKSA-N 429.571 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1507653837 VTBNOFPEHFZUTP-LJQANCHMSA-N 443.555 2.232 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(OC)CCC1 1507664304 KPGMQLMOXXTRQB-UHFFFAOYSA-N 430.516 2.343 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)COCCO2)CC1 1507718005 KMWIBIIBMZIEGW-QFIPXVFZSA-N 447.486 2.107 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507756712 LVDPJQGLTNEMRG-ZWKOTPCHSA-N 444.513 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)OC)CC1 1507803841 HIRHSNJUAJKFQI-NEWSRXKRSA-N 436.553 2.373 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508148679 XLZUWOQWRFMHLT-OAHLLOKOSA-N 438.598 2.439 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1508161463 MBOIBIGKRYMFCZ-ULQDDVLXSA-N 443.639 2.013 30 10 IEEE CC(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCCN(C)C 1508995971 IHBNRFUFEKSZDI-UHFFFAOYSA-N 442.568 2.043 30 10 IEEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1519196236 KLOYPGHZTPJCNN-WOJBJXKFSA-N 438.532 2.133 30 10 IEEE N#Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)C2)o1 1521096098 WMLTWBAPJOGNKG-UHFFFAOYSA-N 427.262 2.157 30 10 IEEE Cc1ccc(CN2CCO[C@H](CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)cc1 1532337311 ITCVSDQLRQLIRG-FYYLOGMGSA-N 432.524 2.237 30 10 IEEE C[C@H](Sc1nc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)cs1)C(N)=O 1534379366 CXSQVQGJGONCLP-ZDUSSCGKSA-N 429.571 2.308 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1539599263 BXEYKLQYUDZACA-UONOGXRCSA-N 433.372 2.094 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 1540479801 BNTDYCQPVNQEED-INIZCTEOSA-N 445.969 2.388 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)n[nH]2)c1C 1540480090 MAZSZJYIBDPXPM-UHFFFAOYSA-N 442.545 2.055 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1540868774 RBRYWDQIYZPMCD-INIZCTEOSA-N 441.923 2.292 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1Cc2ccc(Br)cc2C1 1540871894 WSVRNAWWMZZPEN-AWEZNQCLSA-N 432.322 2.367 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1540875376 JRNNBUXMHATBMW-MRXNPFEDSA-N 448.518 2.278 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1540895545 UVBJWDYWNSSYIR-UGKGYDQZSA-N 441.557 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1540900477 WXBXCVIEQSFCCS-UHFFFAOYSA-N 445.589 2.429 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540916065 SEQNMTJOMRSYJC-MSOLQXFVSA-N 435.594 2.267 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@@](C)(COC)C1 1543565908 YJJBZMIRTVJIEX-GOSISDBHSA-N 427.295 2.362 30 10 IEEE CCn1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1547628248 NWOMTZFSADDVKU-HXUWFJFHSA-N 427.509 2.306 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1555990884 ISMRKPOOTZFLHO-IBGZPJMESA-N 427.530 2.462 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)CC1 1558075229 QIUMZDAPNDBDIB-UHFFFAOYSA-N 444.384 2.417 30 10 IEEE COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)c1F 1561747141 HOZHSZVUZHATPS-UHFFFAOYSA-N 427.454 2.195 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1584490164 SYWRFVFKUASELE-LLUXXFGUSA-N 449.548 2.342 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCOC[C@@H]1c1ccnn1C 1586311432 RHYCREAZJLGCSI-MRXNPFEDSA-N 449.305 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1nnc(C(C)(C)C)s1 1588078450 HGTNYGCANSFGQK-UHFFFAOYSA-N 427.578 2.467 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCCC1(C)C 1588139598 PXVJSXHUVQFLTB-VWLOTQADSA-N 447.587 2.466 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1588167115 WSJOLJYVKWSEEA-FDDCHVKYSA-N 445.564 2.210 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOCC(F)F)CC1 1588923506 BNELOBJMARYVPQ-UHFFFAOYSA-N 446.502 2.286 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595569149 AYFQDLMIHYNORK-HXUWFJFHSA-N 440.596 2.438 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCOC2)C1 1595744134 KGNUCBSOPJPXSQ-NFBKMPQASA-N 428.533 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@H]1C 1595789114 NDBSBZHBHZQPKD-RHSMWYFYSA-N 447.536 2.093 30 10 IEEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCCCS(C)(=O)=O 1612591588 YAFMNYATTDIUON-UHFFFAOYSA-N 444.605 2.385 30 10 IEEE CC/C=C\Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1614274326 PXLJWYRDDXJWKR-HMECNJMJSA-N 440.573 2.491 30 10 IEEE CCCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCc2ncsc2C1 1616509392 URTIJLKSYOOTEF-CQSZACIVSA-N 432.571 2.368 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)cc1 1616903283 FCCKYAURVIWFIB-IBGZPJMESA-N 429.498 2.465 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)CCO1 1619731547 BFMBZKCWRCZDMW-OAHLLOKOSA-N 447.293 2.400 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1623494455 JYYKRIXWJOHOOQ-JOCHJYFZSA-N 431.471 2.458 30 10 IEEE Cc1cc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)on1 1623606395 JDVPDBPKHZBLGA-OTQYULQBSA-N 443.548 2.414 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C)C(=O)OC 1626184269 QTJOAUVMNKAIPW-SFHVURJKSA-N 444.509 2.123 30 10 IEEE CS(C)(=O)=NC(=O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1627102572 HCXZDBVTQDNWQB-UHFFFAOYSA-N 444.538 2.273 30 10 IEEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 1629227883 WTOCETUOWHWQIX-QGZVFWFLSA-N 435.505 2.393 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2nccc(OCC)n2)CC1 1630298779 NGSWGGAANPSGPN-QGZVFWFLSA-N 431.537 2.221 30 10 IEEE Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cnn1-c1ccc(F)cc1 1631984065 WWQXCLKRPGXHPS-CYBMUJFWSA-N 427.461 2.497 30 10 IEEE CC(C)c1cc([C@@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 1633886799 HPPQKALUHMYXGP-OAHLLOKOSA-N 429.546 2.368 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)s1 1636337385 QIWKWBXLXWGIFK-AWEZNQCLSA-N 428.576 2.335 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)CC1 1636479510 CDCTVJKKNBGKCC-UHFFFAOYSA-N 446.598 2.088 30 10 IEEE CCn1c(CN(C)[C@H]2CCC[C@@H]2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1647993258 JXMZCRSGKZKLAA-APWZRJJASA-N 431.562 2.201 30 10 IEEE C#CC1(F)CN(C(=O)[C@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)C1 1651092241 JMSMKSIXYBTFJP-GOEBONIOSA-N 428.323 2.226 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CN(C4CCCCC4)C(=O)O3)CC2)cc1 1653740416 DBXYSGPFHREZKO-LJQANCHMSA-N 432.546 2.018 30 10 IEEE Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1662317547 CIBYWLNCJHQNAI-OAHLLOKOSA-N 425.308 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CCO2)C1 1675450501 NOXJMMBYACQREA-WMZHIEFXSA-N 426.517 2.447 30 10 IEEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 1683379468 IVFPLELCXKXMMU-UHFFFAOYSA-N 447.948 2.432 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689847997 MRJXOHGQPAYIQW-QGZVFWFLSA-N 435.532 2.361 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1689892264 BHOUSGAITBWUHP-IEBWSBKVSA-N 447.561 2.001 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1689916347 HRHXXLWMNLFMPS-MRXNPFEDSA-N 441.488 2.025 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)cc1C 1690104286 RPSCVHAAFWRSLA-HXUWFJFHSA-N 430.574 2.126 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCSC1 1690106413 VIEHFAMFELJOTQ-JOCHJYFZSA-N 430.574 2.428 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(C)C)CC1 1690122079 FMWXWKHDBBRIBZ-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690313228 OCBKXPYFBJZSTF-GOSISDBHSA-N 429.569 2.467 30 10 IEEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCNS(C)(=O)=O 1690352500 GMFUWEWTPLOTNE-UHFFFAOYSA-N 427.958 2.212 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690358611 FWPHKMDCPWMRKF-NRFANRHFSA-N 447.971 2.496 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1690451678 MVIVQOXUMMECHU-IRXDYDNUSA-N 435.598 2.362 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCOC2(CCCC2)C1 1690672881 GRSMYDYQSVYXMF-UHFFFAOYSA-N 425.533 2.329 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1690676789 DNSNISWBUXAHFJ-GAJHUEQPSA-N 425.533 2.356 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 1690677493 YEQMIAHHYZGYGQ-UHFFFAOYSA-N 442.589 2.286 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690727152 VODHJOZYIHGNOR-RCCFBDPRSA-N 436.603 2.250 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690749863 RSNZOCRCAXEILI-FIKGOQFSSA-N 435.594 2.092 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCO[C@@H]2C(C)C)CCOC1 1692590299 BXEWEPGRUSSGGA-JPAWQOSXSA-N 433.553 2.109 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS(=O)(=O)C1 1694081890 PZDUXQHXLWZRJI-HUUCEWRRSA-N 444.561 2.151 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)C[C@H]1N1CCOCC1 1694931601 FUSLFDRXDZXJGW-SYYKKAFVSA-N 437.592 2.314 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1Cc1ccc(C#N)o1 1698141086 WOCSIEFQDUVYGD-MRXNPFEDSA-N 442.520 2.106 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccco1 1698166097 IXPMPXWSVKJUKI-QGZVFWFLSA-N 437.504 2.237 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCSC2)c1 1705504861 FHXCLUBJPYZHCE-QHCPKHFHSA-N 448.552 2.264 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CCOCC1 1705552063 VKHRTCJXDDSTII-SFHVURJKSA-N 433.553 2.473 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705569327 BWBHTMLPUJXEBL-IBGZPJMESA-N 446.548 2.061 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccsc1 1705574565 HDQJGIHCNVAITH-VXKWHMMOSA-N 428.558 2.361 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705739196 XXEATRFQUCWZAS-JOCHJYFZSA-N 439.608 2.073 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705896817 ZBYAPWPRIOXYSK-BEFAXECRSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1705903178 QZEDPDVLSXPGJM-HOTGVXAUSA-N 431.924 2.395 30 10 IEEE CC(C)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706293953 BLKODZWBEVQBTB-JLUOLNIDSA-N 428.537 2.181 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1706743626 CPIPHSFPXKLGPN-FHSNZYRGSA-N 437.342 2.324 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F 1706832344 MITSJSFMOIMRBR-CYBMUJFWSA-N 427.477 2.315 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1C 1722375056 JDGIDFHXPPZTGY-PKOBYXMFSA-N 426.542 2.094 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2o1 1722389122 CXPZVZMMPFYMAA-KRWDZBQOSA-N 439.541 2.340 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1Cc1cn(C2COC2)nn1 1722408434 FWILDQGESBFWTP-UHFFFAOYSA-N 442.321 2.378 30 10 IEEE C=C(C)CN(CC)c1nnc(COCC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722516778 DLGMJWJVJODNOF-ZWKOTPCHSA-N 425.599 2.421 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1722632125 ILBGQEFEPSIOHJ-QGZVFWFLSA-N 431.562 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C)c2ccccc2C1 1722725313 IXFNJAARGSTNTK-UHFFFAOYSA-N 438.557 2.397 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCSC1 1723627314 MQJMSHIRYGETNR-FGSXEWAUSA-N 440.573 2.028 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1729114600 CJHSKWHGDYHAFS-ICSRJNTNSA-N 427.505 2.007 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)cc1 1730122331 HIUCBTGOILGBGT-NRFANRHFSA-N 447.543 2.310 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1730850679 JCCIRQZFBUQJRU-JKSUJKDBSA-N 442.520 2.010 30 10 IEEE COCCOCCCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1730913664 IEWJLEHIUHVNTE-UHFFFAOYSA-N 435.532 2.386 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)(F)F 1740531206 HKTSBNRVCJGERS-AWEZNQCLSA-N 436.438 2.356 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740793418 ILVIRUNXZJQWRG-YADHBBJMSA-N 440.592 2.404 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1740899787 IXCTZIKZOZBRIA-ICSRJNTNSA-N 445.589 2.353 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740961242 QEYSBPYAHHWNEV-ZHRRBRCNSA-N 445.951 2.209 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@@]1(OCC)CCOC1 1740965884 UJMKYKQBLQTQAE-JOCHJYFZSA-N 447.486 2.073 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C1 1740979147 BSARPTGUXPFLSE-LJQANCHMSA-N 441.580 2.394 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCO[C@H]2CCOC2)n1 1742703488 JJQPTYVHFUNLKK-SIKLNZKXSA-N 427.553 2.465 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1 1747426645 CZLJTNCHHTZTNP-UHFFFAOYSA-N 445.593 2.066 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748811335 DXYKARLKHIMRPE-RBUKOAKNSA-N 443.573 2.316 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1749053223 DGNYXDAUABYCIF-LAUBAEHRSA-N 436.626 2.002 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1749239418 JRBMPEIBVORKRS-UHFFFAOYSA-N 445.520 2.347 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1749299326 PIEHHKHTKCVZET-INIZCTEOSA-N 425.459 2.098 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1749408713 KLYJKCGFUBTOBW-ICSRJNTNSA-N 427.553 2.475 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)C1 1750197337 FIOZSAMRYSEWMU-MSOLQXFVSA-N 447.586 2.248 30 10 IEEE C[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1752125223 GEGPOMOUXFUNDZ-KRWDZBQOSA-N 446.577 2.294 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1752227250 LGYSMSHUOSLVFE-MEUCICPISA-N 438.536 2.077 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCOC)C(=O)C1 1760136335 UROXUEVIKZNEBM-UHFFFAOYSA-N 447.543 2.229 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1760228433 GJVGHBHHEDNGFG-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760281836 YAJPBQLOYOZGPT-RTBURBONSA-N 441.557 2.182 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@H]1CCOC1 1760464706 NCQNRLCLTSSOHN-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1760522037 KKRQDVMDWGQVOF-UHFFFAOYSA-N 438.576 2.060 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccn(CC)c2=O)C1 1760549899 OMRRSMQTBLUUCA-FQEVSTJZSA-N 437.548 2.151 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1765377784 LYPCSSOFBPHVGT-DVECYGJZSA-N 449.559 2.180 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCC[C@@H]1CO 1767141990 FFGFDCSPAPWNKT-JOCHJYFZSA-N 446.559 2.480 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCO[C@H]2CCOC2)CCOC1 1767433800 CJCZEPVQRRLKDE-SIKLNZKXSA-N 433.553 2.256 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1767958791 BQRANYNCKQXXCX-MOPGFXCFSA-N 427.505 2.068 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1769282921 NACHKEWQQNRKSZ-ZWKOTPCHSA-N 447.536 2.205 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1769387401 HYUOHQPGTNXCNB-MSOLQXFVSA-N 436.516 2.121 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCO[C@H]2CCOC2)CCO1 1770746443 GEOKQFGNXBQVNO-ZWKOTPCHSA-N 449.458 2.471 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCSC2)cc1 1771533899 DEBHGVXEGKNCAD-KRWDZBQOSA-N 431.587 2.441 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC(COc3ncccc3C#N)CC2)cc1 1848990682 LLTRNOBLUMPXQP-UHFFFAOYSA-N 443.525 2.443 30 10 IEEE Cn1c(O)nc(N2CCN(Cc3c(F)c(F)c(C(F)(F)F)c(F)c3F)CC2)cc1=O 1849168786 VXCBMSWJQZGZGB-UHFFFAOYSA-N 440.319 2.383 30 10 IEEE C=C1CCC(C(=O)O[C@@H]2CON(C(=O)CN3CCN(c4cccc(Cl)n4)CC3)C2)CC1 1851290378 TZXCTYHRXFDGRO-SFHVURJKSA-N 448.951 2.289 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H](F)CC3CC4(CCC4)C3)C2)CC1 1857043270 NBVZTRWUIKHNKS-ZWKOTPCHSA-N 439.553 2.235 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1857374278 XTDRBFCWQFYWSX-HXUWFJFHSA-N 431.558 2.164 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 1858319075 UHJFPLRDVUUFIB-LJQANCHMSA-N 445.566 2.179 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)COc1ccccc1OC 1861782415 UYGSVITTYKHLKU-LJQANCHMSA-N 426.469 2.029 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535554 GFVSJDMNZDJTOJ-UHFFFAOYSA-N 449.490 2.251 30 10 IEEE COC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cc(OC)c(OC)cc1OC 1874462552 ZBGGQTDNHICGQX-IFRROFPPSA-N 434.396 2.470 30 10 IEEE CC#CCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883385578 CWFIZAZSNKIXGC-FQEVSTJZSA-N 427.478 2.416 30 10 IEEE C#CCO[C@H]1CCN(C(=O)C[C@H]2Cn3c(nc4c(cnn4-c4cccc(C)c4)c3=O)S2)C1 1891717696 OGUGUCJFVFUXMO-ROUUACIJSA-N 449.536 2.006 30 10 IEEE CN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)C1CN(c2nccnc2C#N)C1 1891947455 IRILFQLDBIBHRU-UHFFFAOYSA-N 438.447 2.110 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CN(c3ccccn3)C2)[C@@H]1c1ccc(C#N)cc1 1891986072 MYTRDMMYLKJACC-VXKWHMMOSA-N 435.553 2.352 30 10 IEEE COCC#CC[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892259013 CYLNXMFHQCVAKM-BGOLNKOXSA-N 441.505 2.377 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1954818087 VOOWYVSQMIYWGC-QFIPXVFZSA-N 428.485 2.476 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1984848955 HXQCBWPBIIKCEP-KBPBESRZSA-N 429.514 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060624242 WLCQHPCCUVPYIP-DFFLPILJSA-N 436.358 2.299 30 10 IEEE C#CCn1ncc(NC[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2112926420 QMBVNXIVSXNEMB-LBPRGKRZSA-N 429.290 2.256 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2180095985 ZCGPJJHQYWXOTD-OXQOHEQNSA-N 437.334 2.482 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C)c1I 2242878270 XYXHSIVQXGSUAJ-SNVBAGLBSA-N 432.262 2.270 30 10 IEEE CN(C[C@@H](O)CN(C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)OC(C)(C)C 2254807968 FUTYYYHCOUPHRU-AWEZNQCLSA-N 439.337 2.184 30 10 IEEE CC1(C)OB(C#CC(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)OC1(C)C 2255595198 PGVFKWDJIAJHTQ-QWRGUYRKSA-N 442.165 2.222 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255807779 ATLDAZNWJNYMID-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258886780 SRYWQEQHCWROEN-ZFWWWQNUSA-N 434.346 2.227 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267125184 RPYLYKPMDYWBCF-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2267183008 CNSIDXNIRKDSEP-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267186310 HWYUDRHEAFPJNL-HOTGVXAUSA-N 448.325 2.039 30 10 IEEE Cc1c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267197418 KSONBRUFPUMFNT-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2267557271 MJYKVDXOFYCJFI-UHFFFAOYSA-N 439.365 2.302 30 10 IEEE C[C@@H]1CC[C@H](C2OCCO2)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282502336 JTCBJTJWYXUGQW-UKRRQHHQSA-N 443.396 2.209 30 10 IEEE Cn1cc([C@H](O)[C@H](N)C#Cc2ccc(Br)cc2)c(I)n1 2296291660 QYYWVXQKBHXGBM-OLZOCXBDSA-N 446.086 2.200 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300342722 XYBYLHGQWVFBPF-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE COc1ccc(OC)c(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 2327902090 VBZFKULXKZDJMG-OAHLLOKOSA-N 447.561 2.376 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1C 2337270239 JDABBXJAIGEHFU-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCCC#CCO 2343620414 LLYRFYOAAOKXIW-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC2(CC(=NO)C2)C1 2364189712 DOEDRUXDHYXONY-UHFFFAOYSA-N 433.530 2.489 30 10 IEEE O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCc2ccccc2C1 6529761 JWZOHFRLBBVYHC-OALUTQOASA-N 427.551 2.375 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccnc3N(C)C)nnc12 32689276 DPNXGDVYCOHQDE-UHFFFAOYSA-N 449.540 2.100 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 102758851 CECOLDDMQOYYJH-GOBJLOIFSA-N 442.516 2.417 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N[C@H](/C(N)=N/O)C2CC2)cc1Br 155816894 LJBHUDRJACZKRJ-NSHDSACASA-N 441.145 2.323 30 10 IEEE COc1ccc(Cl)cc1N1C(=NC(=O)[C@@H]2CCCO2)S[C@H]2CS(=O)(=O)C[C@H]21 254626486 KTIFXPMXSGDWAX-SNPRPXQTSA-N 430.935 2.129 30 10 IEEE Cn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447784137 YYMLPHZBJRAHMJ-UHFFFAOYSA-N 430.464 2.158 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)c(OC)c1OC 465410648 XVOIBNLBUNIGMD-UHFFFAOYSA-N 449.504 2.230 30 10 IEEE CN(C)CC1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471050818 SUUNFBADMJDEEQ-UHFFFAOYSA-N 439.560 2.445 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 485050446 BJQFWHAKXHFWLB-UHFFFAOYSA-N 433.530 2.449 30 10 IEEE N#Cc1cc(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cnc1C(F)(F)F 495294236 GXWPMLMCXDHLIU-ZWKOTPCHSA-N 443.429 2.301 30 10 IEEE C=CCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc(C(=O)OCC)cs1 501937537 INNVDLIQTYTOPW-UHFFFAOYSA-N 432.414 2.355 30 10 IEEE COC(=O)c1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506954160 PKJTWUMQTPMNHV-UHFFFAOYSA-N 446.460 2.022 30 10 IEEE N#Cc1ccnc(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1 508456234 LKGDFRRYIOUIGR-OAHLLOKOSA-N 449.330 2.299 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 508828182 OLVDBXRVQPAXDW-INIZCTEOSA-N 437.591 2.155 30 10 IEEE Cc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831157 PSJYDYLLCULFGL-GCQCZSQBSA-N 445.519 2.356 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 610142940 OMSYPASBBCFCOR-UHFFFAOYSA-N 436.497 2.487 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 619860188 CLDMVBQDYTTZKQ-ZWKOTPCHSA-N 425.489 2.155 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1 729184813 YULNXNKTMQVDTQ-UHFFFAOYSA-N 431.367 2.492 30 10 IEEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 732109674 KKZGVQKSZGHZMT-SFHVURJKSA-N 448.589 2.145 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2[N+](=O)[O-])C1 732153477 HUOYDYYFZGEQKX-RNHGDLTASA-N 441.488 2.333 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CCN1C1CC1 732707134 VALJKEQIDDBRNK-INIZCTEOSA-N 442.413 2.241 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCc3csc(N(CCOC)C(C)=O)n3)cc2C1=O 733814268 SZPIHVQOTJTYTH-UHFFFAOYSA-N 443.481 2.281 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 741339118 AZERIGMNCJGXLZ-QHKYSRAXSA-N 441.362 2.372 30 10 IEEE COc1ccc(COC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1C#N 747038177 XJWFIVITIIPMQD-QRGKHIHXSA-N 433.464 2.413 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1C#N 747497463 CBTHOGJXBRTRSC-CALCHBBNSA-N 436.512 2.431 30 10 IEEE C[C@H](OC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1cccc(C#N)c1 752612299 ACHTYIJVLMKUTL-GJZGRUSLSA-N 429.498 2.482 30 10 IEEE C=CCc1cc(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)c(O)c(OC)c1 754727448 WJWHUOPASNOZGI-UHFFFAOYSA-N 431.558 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)Nc1ncccc1OCCCC#N 755230020 AFXVTQVBACRVLS-OAHLLOKOSA-N 431.493 2.218 30 10 IEEE CC(C)[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)c2ccccc2C1=O 760400208 IABNJHNUOGVJOW-QGZVFWFLSA-N 431.514 2.227 30 10 IEEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 774270119 BCYYQBWLTPPWSH-OAHLLOKOSA-N 444.492 2.054 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 788815618 RHTKMHYPKHKHIP-INIZCTEOSA-N 444.919 2.206 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)ccc1F 798786970 ITNCDDSKPJQUFV-BEFAXECRSA-N 445.516 2.209 30 10 IEEE CCCn1nc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC)c2ccccc2c1=O 801885039 NPUWQUMJKQDVMD-QGZVFWFLSA-N 432.532 2.261 30 10 IEEE C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 803699594 IWHSITCBBRRBQQ-KRWDZBQOSA-N 430.526 2.394 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 805786355 PYNMCBFKWNKGLI-FQEVSTJZSA-N 441.553 2.346 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1cnn(C)n1 807928636 BTKSYEKBGBJJCL-MRXNPFEDSA-N 436.501 2.074 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F)c1ccc(Cl)cc1 810469746 FMPXECNIVKJOIC-MRXNPFEDSA-N 437.880 2.159 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 812054464 VZRFZXBPZZAPAL-NRFANRHFSA-N 431.521 2.492 30 10 IEEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc(F)cc1F 1084162787 GLDZOHLDZBYAMK-UHFFFAOYSA-N 448.415 2.355 30 10 IEEE O=C1C=COC2(CCN(C(=O)CS(=O)(=O)Cc3cccc(Br)c3)CC2)C1 1134525545 GFIVXAVSFYVLOB-UHFFFAOYSA-N 442.331 2.228 30 10 IEEE Cn1nccc1[C@H](O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1148575065 ZCJGBVIDJKDNSK-OAQYLSRUSA-N 430.549 2.343 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)OC 1155778896 BPZPQPOOWUTEPT-ZBFHGGJFSA-N 440.443 2.001 30 10 IEEE N#Cc1cccc(C2(NC(=O)c3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)CC2)c1 1157521086 DPBLVQBTONFTCQ-UHFFFAOYSA-N 425.510 2.123 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]2C1 1159291242 LWBQSZUNQOBVSF-CEXWTWQISA-N 446.617 2.474 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(Br)cc3o2)c1 1161486215 FHPAQVICRGLCMC-UHFFFAOYSA-N 449.286 2.057 30 10 IEEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1214911613 CCXHBCABEUPCPN-GOSISDBHSA-N 437.566 2.422 30 10 IEEE Cn1cc(CNC(=O)c2c(I)cnn2C)c(-c2ccc(C#N)cc2)n1 1268932678 MBLFSJGRHCRLFM-UHFFFAOYSA-N 446.252 2.227 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286319860 XAXBCCOXSVDKLZ-SIKLNZKXSA-N 435.576 2.132 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387837 ISFDLUNBBPTPJO-QGZVFWFLSA-N 432.546 2.432 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCSC1 1286438265 SUOSORKDWXYUQD-INIZCTEOSA-N 433.603 2.408 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](SC)C(C)(C)C)CC1 1286472331 GMODAOWDLHFTKI-XMSQKQJNSA-N 435.638 2.463 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](CC)OC)CC1 1286472805 LNDGGEXMYRKODY-INIZCTEOSA-N 435.370 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN2CCOC(C)(C)C2)CC1 1286490845 UHYHMZHKWSYUJM-UHFFFAOYSA-N 442.608 2.012 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286548190 RVTHWDWSUUVILC-TXBYWVTISA-N 446.596 2.140 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1286726604 GGQKQILOWUPKOO-LJQANCHMSA-N 433.578 2.207 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(C)C 1286787427 FVZKNTJZVCEKTB-UHFFFAOYSA-N 426.569 2.237 30 10 IEEE CCOC(=O)C(CC)(CC)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1287521630 LMSSUIULNMJEMS-QGZVFWFLSA-N 428.489 2.249 30 10 IEEE C[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1291295711 CCJVWQFLHVSMTK-QFBILLFUSA-N 431.562 2.360 30 10 IEEE C[C@@H](C(=O)Nc1ncccc1OCCCC#N)N1CCN(C(=O)OC(C)(C)C)CC1=O 1292621181 HNMGLWAVYYHVIO-HNNXBMFYSA-N 431.493 2.170 30 10 IEEE CCOC(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)C 1294337983 TXILOFPXSSOCQV-GOSISDBHSA-N 437.562 2.380 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nncn2-c2ccccc2)CCOC1 1296517447 GMIBIUNQXSATRB-JTSKRJEESA-N 436.520 2.298 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCOCCS(C)(=O)=O 1298327092 KCCRPJQKWMYJKI-LJQANCHMSA-N 447.561 2.089 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1300491971 KLRQPSWVANBIGL-GOSISDBHSA-N 429.546 2.014 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(CNC(C)=O)CC1 1300766853 LZYQLJJTKMGCNZ-UHFFFAOYSA-N 432.619 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300883671 DHOGEHHYPUTPMG-QFUCXCTJSA-N 430.597 2.173 30 10 IEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300996318 CXLGZAOOOWIIIR-IBGZPJMESA-N 443.573 2.497 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)SC)CC1 1301127112 YVCIMBSWDRABRO-MRXNPFEDSA-N 443.639 2.155 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1301175137 ZLKXDOIRHKDNMH-ZDUSSCGKSA-N 439.504 2.138 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)c(COC)c1 1302097071 JJRCHVZWFPPWEC-YJBOKZPZSA-N 433.484 2.065 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1302435824 XWOCANQBDPHYIQ-GOSISDBHSA-N 448.531 2.226 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1304695894 KBNRWYYCWGLMMV-CZUORRHYSA-N 441.875 2.199 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)c1 1313027852 XZVFLEHOMVLYRG-UHFFFAOYSA-N 432.546 2.032 30 10 IEEE COc1cc(CCCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(OC)c1O 1313091116 WIZVQCWJHMLEFN-KRWDZBQOSA-N 426.473 2.472 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1314405168 PQOHUANCRYLVEZ-WNRNVDISSA-N 446.552 2.046 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1315119425 XTLQNMBADKCCNW-INIZCTEOSA-N 432.431 2.129 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1315825039 NZLCJXIUEAEKQM-SFHVURJKSA-N 428.512 2.388 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1316009693 RXDMWUNRLFYCMX-LJQANCHMSA-N 438.532 2.356 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1316192500 ZLSFPNJYVRWKDD-GMQQQROESA-N 433.553 2.470 30 10 IEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CC=CCC2)C1 1316357911 UKJKVECKRLWOLT-OALUTQOASA-N 448.593 2.097 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2cnn(C)c2C)c1 1358901321 GXJZPMCTVRQGDJ-UHFFFAOYSA-N 440.511 2.487 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358926003 YOTHVYMGCCYIDQ-AVRDEDQJSA-N 438.551 2.486 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C(C)C)N1CCOCC1 1358943309 DNRZFHGHJNQIAM-FQEVSTJZSA-N 427.549 2.389 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966739 VUTYQOVMRFTBEN-XQFWAAQXSA-N 447.649 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358984462 WOQASDVUCBYCJB-SFTDATJTSA-N 445.527 2.217 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1359189094 AJRQWQJWZXBHPJ-KRWDZBQOSA-N 438.594 2.168 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359224576 WKOPDKAIEDDNIE-YLJYHZDGSA-N 438.536 2.375 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359304153 OBDLOMDZQQPVIF-QUCCMNQESA-N 425.533 2.473 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359516480 AVBJQAFENRROKR-QCPHZMBFSA-N 430.553 2.353 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CC1 1439014597 KXPOLEMRKFBEBN-GUDVDZBRSA-N 445.585 2.378 30 10 IEEE Cn1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)cn1 1441011603 NTZZMTWFEHINNS-UHFFFAOYSA-N 435.509 2.105 30 10 IEEE COc1ccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1OCC(N)=O 1441498703 VEQNTEMJDUOTEB-UHFFFAOYSA-N 431.489 2.148 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C 1451453989 DJHZOBJUKCOBRY-KRWDZBQOSA-N 435.546 2.377 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cccc(S(=O)(=O)C(F)F)c1 1457617404 IEXVGBZCQXSPOW-UHFFFAOYSA-N 426.401 2.222 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cnc3ccnn3c2C(F)F)c(=O)c1C#N 1457779478 MDIMNKVXXZQJKZ-UHFFFAOYSA-N 437.204 2.464 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1463871160 GCXCVAPMLNEJFV-CQSZACIVSA-N 429.384 2.339 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)c1 1472340488 REAWUQYBHDDFPI-CQSZACIVSA-N 436.331 2.187 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1476133764 OUFGUCIAXYUTRL-LJQANCHMSA-N 443.573 2.472 30 10 IEEE C=CCn1cc2ccc(NC(=O)NC3CN(S(=O)(=O)c4ccc(OC)cc4)C3)cc2n1 1477121660 XXQKLDBGEKASHT-UHFFFAOYSA-N 441.513 2.426 30 10 IEEE N#CCOc1ccc(CNC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1 1477761795 ACVXZSCDPXPVAF-UHFFFAOYSA-N 435.528 2.286 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493246139 PDRVOXUUXMIAGJ-SYDAPRMOSA-N 435.532 2.273 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1504224572 BMENGKGDVFRMBJ-FQEVSTJZSA-N 447.536 2.091 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507536064 AGCZMMHHRUHCME-QGZVFWFLSA-N 438.557 2.020 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507588950 SMXOIYFWFUHAGL-DLBZAZTESA-N 446.577 2.484 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1507593507 QWBTXWRGQHABDF-UHFFFAOYSA-N 448.571 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2[nH]1 1507659747 DURJQQRTSOMBJO-KRWDZBQOSA-N 438.557 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1507670071 BHXHYAXVCBHKIY-UHFFFAOYSA-N 447.564 2.320 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1507678455 HYNQBZNMLPCJHS-REWPJTCUSA-N 433.597 2.279 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1507707978 BHMWDMRHYGWZDF-UHFFFAOYSA-N 440.592 2.066 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1507980524 JHPJOZMYUMUNTH-KRWDZBQOSA-N 448.524 2.391 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C 1508093622 JDMAAGBUZXHBBG-HNNXBMFYSA-N 433.578 2.479 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508160526 VMEXLGPYVIDGMJ-IIBYNOLFSA-N 448.593 2.253 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC(C)(C)O1 1512418020 CKCACJNHXIYRBP-OAHLLOKOSA-N 431.500 2.363 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3csc(I)n3)C2)nc1 1527491417 PTGFXMWQTSUGHZ-SNVBAGLBSA-N 426.239 2.308 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3nnc([C@@H]4CCCO4)s3)C2=O)cc1 1532708434 NNOQDZUZOMQCAM-KBPBESRZSA-N 426.458 2.105 30 10 IEEE C=CCn1cc2ccc(NC(=O)CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2n1 1538314200 FDXKWZKTOKBJCF-UHFFFAOYSA-N 429.458 2.390 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N=c2nc(C)[nH]n2-c2ccc(F)cc2C)ccc1F 1538437681 OXEZONILPGLBPY-UHFFFAOYSA-N 447.467 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H]1C 1538983271 PQKWNDIROYZLIR-MSOLQXFVSA-N 444.605 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539026336 UISUHOQVEUITIA-YSIASYRMSA-N 427.597 2.485 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(=O)NCC=C)c1 1539040102 MFYWXKGTKHAMMJ-UHFFFAOYSA-N 443.511 2.007 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539063356 PGUBKARDIGQLDK-UHFFFAOYSA-N 432.594 2.337 30 10 IEEE C#CCCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539087740 YRCSOHRTZRPRPI-HSZRJFAPSA-N 439.564 2.239 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1C(F)(F)F 1539179112 NKVUTINYRHIKTN-CYBMUJFWSA-N 430.427 2.456 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(NC(C)=O)cc1 1539273326 PGIAYSQDDRPCNE-UHFFFAOYSA-N 429.528 2.414 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1539362453 BPCWMSJLZQQKCG-UHFFFAOYSA-N 438.557 2.238 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1539526130 JQIUYXMYFBOPKF-NNMXDRDESA-N 444.605 2.279 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1539676144 KHTBASLRJUFCKK-GOSISDBHSA-N 427.553 2.204 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1 1539722715 QXMGPWUZEMFMLH-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1539752347 KQGYKMWCPKSLRP-UHFFFAOYSA-N 437.548 2.475 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C1CCOCC1 1539807146 GHYOTZXLSFQXMJ-OAQYLSRUSA-N 434.558 2.031 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540039665 DWDZXNOBCBBLOD-QHCPKHFHSA-N 437.548 2.342 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](COCC)C1 1540861876 JSBQDHPMWAQWIM-SFHVURJKSA-N 440.548 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1540898118 ZYSZXFANGRJKQL-MRXNPFEDSA-N 441.598 2.353 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1540907643 CYZOJOLBRALBCW-UHFFFAOYSA-N 445.568 2.294 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1540912346 VQIRKOQSWVUABO-UHFFFAOYSA-N 446.602 2.254 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c1 1542757373 CBOMNFBVAFXYRR-UHFFFAOYSA-N 439.537 2.438 30 10 IEEE CNC(=O)c1cccc(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c1 1544329554 SOEWBHVLRFVGAG-IQJRZOLZSA-N 440.544 2.492 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccc(N(C)C)cc1 1546527310 BFJVSRNUZATZBO-UHFFFAOYSA-N 447.591 2.389 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1555519419 GEHOYTWFHOTOPQ-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1555931107 JLQDVQFRKSZNEO-UHFFFAOYSA-N 441.605 2.216 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(F)(F)Br)CCO1 1555993222 KXJRIFVBHKZQTG-LLVKDONJSA-N 442.220 2.390 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 1561260456 DVLTWUCQZYDSJK-HOCLYGCPSA-N 441.347 2.159 30 10 IEEE N#CC1(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)CCC1 1564947627 UOOOYAXFNIWVOB-CQSZACIVSA-N 438.269 2.168 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1 1565345074 DBYTUCCBUCKPOT-FQEVSTJZSA-N 446.617 2.098 30 10 IEEE Cc1ccc(N2CCC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2=O)cc1 1566113234 WDYVYGIFXDRXOD-IBGZPJMESA-N 429.473 2.357 30 10 IEEE Cn1nc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1OC(F)F 1586318370 MEKMIEWURYRDDA-XPUUQOCRSA-N 438.275 2.236 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@@H](C)CC 1587579570 IEFWBROILYEMOL-JKSUJKDBSA-N 431.562 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1587638642 GIJARVXLVBPVFW-CRAIPNDOSA-N 430.530 2.073 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588039787 FFBUNFMKRUORFV-SFHVURJKSA-N 429.571 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)[C@H](C)CC 1588124140 CYLGOWZHWVPQNO-OSPHWJPCSA-N 432.528 2.062 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)C 1588139055 KNVYIYPONPQXSC-OALUTQOASA-N 445.564 2.330 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588149537 WIZRRVFHFRVKQV-QHCPKHFHSA-N 446.599 2.193 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC[C@H](CO)O1 1588550478 SKVOOQVWMJOTDC-SESVDKBCSA-N 428.508 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2F)CC1 1588930221 QJMBLPFKRSUQDT-LJQANCHMSA-N 425.508 2.325 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1589657902 NJQCXENQGZWMDR-KRWDZBQOSA-N 430.553 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1595530040 QODRMUGTZUHHOZ-QGZVFWFLSA-N 449.559 2.471 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(=O)N(C)C)C1 1595729107 JCWVLCWMFMYFOR-YLJYHZDGSA-N 441.532 2.440 30 10 IEEE Cc1nsc(N2CCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)CC2)c1C#N 1595958113 CMGUSCSGEVCNHH-UHFFFAOYSA-N 425.514 2.431 30 10 IEEE N#Cc1cccc([C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)C(F)(F)F)c1 1596077815 HEBZQMRBTKCJQM-HNNXBMFYSA-N 448.386 2.003 30 10 IEEE CN(CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1618225338 CZKBHKNUDSPKNS-UHFFFAOYSA-N 427.475 2.138 30 10 IEEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1)c1ccccc1 1624013862 ROCRACIFZYVIMP-SFHVURJKSA-N 445.497 2.406 30 10 IEEE C#CCC[C@@H](O)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1626046977 UPQLISFXPNJPTP-QZMQVMSPSA-N 436.508 2.165 30 10 IEEE C=CCNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1632773634 STSLIWZWDAYGLR-HNNXBMFYSA-N 426.311 2.433 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C2)C1 1633151730 ZARPHSGZHSMDSS-YZUGKSJVSA-N 441.397 2.448 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)C1 1633662441 MDSHXDKRXPEFCG-KSZLIROESA-N 427.505 2.018 30 10 IEEE N#Cc1ccc(OCC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1Br 1634428882 CNZAUSCABPWSQR-NRFANRHFSA-N 444.329 2.453 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1637514233 QNHLQSRXTCIWJA-HZPDHXFCSA-N 425.526 2.045 30 10 IEEE C=CCc1cc(C(=O)N2[C@@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc(OC)c1OC 1638590190 DTNMWKQGQNSVQG-CJNGLKHVSA-N 436.530 2.015 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 1639265599 TVGOONMLDLRHAK-LJQANCHMSA-N 431.496 2.361 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)nn1 1647932563 GSOOPHNQGXQBTR-UHFFFAOYSA-N 439.520 2.391 30 10 IEEE CCn1c(CN2CCC3(CC2)CC(=O)C=CO3)nc2cc(S(=O)(=O)N(C)C)ccc21 1655739876 LNRATSMSRKGDCN-UHFFFAOYSA-N 432.546 2.144 30 10 IEEE C#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 1661255244 KSRJYWKMHXKNLB-FQEVSTJZSA-N 430.526 2.037 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br)C1CCOCC1 1665156479 OYHSRWWUWMXVLD-OAHLLOKOSA-N 430.320 2.333 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)C1 1671458641 DGRWCMGJEIGQEL-AWEZNQCLSA-N 443.363 2.310 30 10 IEEE C=CCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CCCC1 1672661921 HACFRIDCBGMYPF-UHFFFAOYSA-N 446.573 2.334 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1683060918 HEIDDZXYMWCNTL-QFIPXVFZSA-N 432.572 2.465 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)C1CCOCC1 1683593711 GYPSBACFLBHVKY-FUHWJXTLSA-N 425.451 2.338 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccccn1 1689972160 HGKIGCMZJZXJGX-UHFFFAOYSA-N 429.572 2.350 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1690022328 BBYZGECBJVHEQG-UHFFFAOYSA-N 431.496 2.411 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H](O)C1 1690072835 WAAUEQRFYACZSH-SJORKVTESA-N 430.578 2.249 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690178793 GQJGBUUUIRDAIA-SFHVURJKSA-N 426.590 2.323 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1690366402 ZPDNFLTYDDQSAR-OAQYLSRUSA-N 438.594 2.300 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690509913 NKXNFPWBQDDPOF-GOSISDBHSA-N 428.512 2.157 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)C(C)C 1690581779 YNTYHBKUSPJHMH-NRFANRHFSA-N 433.560 2.452 30 10 IEEE Cc1nc(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CCC(C#N)CC3)cc2)n[nH]1 1693343070 QAEHWNZNNDMIBC-UHFFFAOYSA-N 433.520 2.298 30 10 IEEE CCCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1695271416 QPVNQEHHASWHDZ-HXUWFJFHSA-N 449.556 2.497 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1698058283 DJGZUFBTCAIIHV-RTBURBONSA-N 431.585 2.001 30 10 IEEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCC2)C1 1698308600 BVTQZZMTZNVXSP-GOSISDBHSA-N 428.562 2.479 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1705549748 GYXXJCIOWUYSIG-DEOSSOPVSA-N 446.511 2.379 30 10 IEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705559516 BTJWHAYCDLMIDH-IEBWSBKVSA-N 436.578 2.129 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cnnn1C 1705575719 UYVVPFOQBRYCMM-UHFFFAOYSA-N 428.269 2.096 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705591587 FXARHAWIVXGEPN-INIZCTEOSA-N 448.495 2.444 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1705603451 PODCLOWUORQQRK-OALUTQOASA-N 443.548 2.228 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1705612445 GYTRFRPXTVABLV-GOSISDBHSA-N 446.573 2.485 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2csc([C@H](C)OC)n2)CC1 1705641251 XYFPFDKQDSEBDI-KRWDZBQOSA-N 437.573 2.231 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1705697264 KSLIRPNPSRPNOF-BZSNNMDCSA-N 449.552 2.062 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(C)c1C 1705736543 WDPNPPYTRAYLJJ-UHFFFAOYSA-N 427.509 2.277 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1705795036 BBLXIKMLFOESNL-IBGZPJMESA-N 439.564 2.238 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1)C1CC1 1705854277 JOUVQEYUMOBSFT-INIZCTEOSA-N 441.623 2.052 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCOCC1)C(C)C 1705867587 QMFDBHADOJVUCH-HXUWFJFHSA-N 430.597 2.439 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CCOC1 1706679990 NYRGRPLFERMXJW-KKXBDNRESA-N 433.553 2.251 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C(C)C)C(C)C)n1 1707832591 DLPHJJRUNJUKNC-HXUWFJFHSA-N 428.585 2.377 30 10 IEEE C[C@@H]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1708012508 BSXACTAVKZEUBG-SJLPKXTDSA-N 428.562 2.335 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1710012753 BSFIKIZQKXAPMY-FXAWDEMLSA-N 444.605 2.419 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1 1712497309 LGERMRSJWGNFPG-RDJZCZTQSA-N 426.521 2.111 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722310986 RMDQDOQMYHOADA-GOSISDBHSA-N 448.531 2.289 30 10 IEEE C#CCCCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OCC)CCOC1 1722322465 KKIAGIMRAHFSSC-QHCPKHFHSA-N 439.564 2.159 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1 1722345962 TULDOZJNANPXPN-CQSZACIVSA-N 427.896 2.294 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(F)c(F)c2)CC1 1722440267 BKYZKWHOTXWTCX-RXVVDRJESA-N 445.514 2.278 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2nc(C)no2)CC1 1722440874 DDHHNAFFDMFIQK-UHFFFAOYSA-N 439.495 2.076 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)c2nccs2)CC1 1722449549 UJJBTDHAIUYVRV-KRWDZBQOSA-N 449.584 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722449562 UYRXFTGZELVVSI-LEWJYISDSA-N 436.560 2.045 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)CC1 1722578981 FLESYZTZIDVYBX-NRFANRHFSA-N 431.562 2.478 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722690390 FJKHTRBAWWVKLF-XCGNWRKASA-N 430.553 2.197 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)NC)C1 1722719120 XKLHJWKOFCOWSH-AWEZNQCLSA-N 443.932 2.068 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1coc(-c2cccs2)n1 1723909819 CNVMGZWNTIKUTJ-CHWSQXEVSA-N 449.562 2.391 30 10 IEEE CCN1CCC[C@@H]1Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1728582432 DZUICIOPEVMTGU-GOSISDBHSA-N 439.612 2.300 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C1 1729094758 AMLPXDSNLXNQBO-GOSISDBHSA-N 446.577 2.009 30 10 IEEE CCSc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)ccn1 1729251193 HRHGERYAJVNKPK-UONOGXRCSA-N 437.595 2.039 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1731114336 DYMBDDKCZQZPJF-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1740540769 YTZMDQVPCYEERS-QGZVFWFLSA-N 438.557 2.291 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC(F)F)CC1 1740695167 HLEOYSJZYMDSHY-UHFFFAOYSA-N 439.470 2.183 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOCC(C)C)CC1 1740706195 SILLXOKFAZCLRY-HXUWFJFHSA-N 431.581 2.201 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1740965438 PEQSFMUMSSUBDT-FDDCHVKYSA-N 443.523 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C2CCCC2)CC1 1740989978 FAJVDLOSBODNHB-UHFFFAOYSA-N 432.594 2.329 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1741094001 SJQFTROGVAMNJA-IBGZPJMESA-N 442.589 2.285 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1741134740 HUCNKGSHTBBETH-INIZCTEOSA-N 433.472 2.234 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOCC1(C)C 1741356294 AMFZPFZBEGLWLS-UHFFFAOYSA-N 425.537 2.047 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1743380851 PWNOIJMXLUKHKF-YJYMSZOUSA-N 449.353 2.326 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)C1 1746584271 YJAHINUIZKXJAL-IBGZPJMESA-N 442.520 2.195 30 10 IEEE CCOCCN(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1747340142 GCBXMSUKYJAZTE-CZIZESTLSA-N 428.468 2.083 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCOCC2)C1 1747412530 ASSAQPAVISVZNP-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1CCOC1 1748882322 OMJIHHGIYFOCCL-GOSISDBHSA-N 426.542 2.238 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(CC)s1 1748945750 YZQWNXLCCUXVLA-MRXNPFEDSA-N 439.520 2.470 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1748983469 PLYXOLLCYHXYRX-YCRPNKLZSA-N 433.915 2.033 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2sccc2C)CC1 1749000877 CHPNWYTVJGZVPR-ICSRJNTNSA-N 429.590 2.370 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749023004 OSWBXVJTYDKDSX-MRXNPFEDSA-N 445.593 2.215 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749118611 HHRHRZLDGXPFBD-ROUUACIJSA-N 425.599 2.148 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1749685866 MRRQGDOOGJOFQT-OALUTQOASA-N 425.533 2.358 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749760104 BYEVPBPXDFNPFG-KRWDZBQOSA-N 447.586 2.271 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1750005903 DHIUYBSBJBYLIA-JPAWQOSXSA-N 434.585 2.241 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1751272227 IBIPBNSNUWHQBD-GCKMJXCFSA-N 431.468 2.091 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1760099803 LZPJAELJCLDAFA-FDDCHVKYSA-N 425.533 2.127 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760152711 WDKXDPCEHSKGJJ-OAHLLOKOSA-N 442.545 2.267 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760181806 BRMHOCLGKGCXHO-GOSISDBHSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(Cl)c1 1760218493 HXWHKOQDBXKIRW-MRXNPFEDSA-N 434.924 2.484 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(C)cc2)CC1 1760260686 BUNBBXNLQNXLGA-UHFFFAOYSA-N 433.560 2.282 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1760290826 RCRRYVDHHOVTJS-RPWUZVMVSA-N 439.560 2.366 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1760316116 MMQLQRQGNQBTPF-GUXCAODWSA-N 429.496 2.475 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1760321665 IUWDUTNHAFRLNC-VQHPVUNQSA-N 426.608 2.103 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760328636 YWVBKUVWZHZZGY-FJIDUMEYSA-N 426.583 2.370 30 10 IEEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760414825 DXPDBNPKRXXRJZ-LJQANCHMSA-N 427.549 2.453 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1760445666 RPPDLVODNWSHKF-DLBZAZTESA-N 449.577 2.269 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc2c(s1)CCCC2 1760503533 LIKGVBVSZJCWKS-MRXNPFEDSA-N 430.578 2.446 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760511423 GLOQYVUQOCMSEK-GOSISDBHSA-N 428.924 2.475 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760532673 BBMUOLQATFXYQU-SFHVURJKSA-N 438.576 2.243 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CC2)C1 1760547098 DAORKHUCGJBXHW-IXDOHACOSA-N 433.553 2.355 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H](O)C1 1760690218 BCKZIOMPFIQXPM-IXDOHACOSA-N 445.593 2.385 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1761819776 FHXAJJZOEOFYHF-QZTJIDSGSA-N 446.577 2.043 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCCN1CCCC1 1764919890 QTUBQUMYTCZTLF-LJQANCHMSA-N 437.596 2.483 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1765235162 FTAZCHDFGSNVBQ-SFHVURJKSA-N 429.546 2.257 30 10 IEEE CCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1766590722 CJIJLVGCRAYBOA-DLBZAZTESA-N 434.541 2.158 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1768173346 CNOBXORBXJJURV-UHFFFAOYSA-N 434.548 2.262 30 10 IEEE COc1cc(C)c(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1OC 1769785673 BNILRLAEFQGKDZ-MRCUWXFGSA-N 440.504 2.075 30 10 IEEE CS(=O)(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1770309729 LJBGGVMGKMPPOT-MRXNPFEDSA-N 435.575 2.017 30 10 IEEE COc1cccc(OCCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1770382316 HYUONEYLKNDNMI-FXAWDEMLSA-N 427.505 2.379 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1770788188 GHJBENBWHFXZPK-NRFANRHFSA-N 442.539 2.350 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)CCN1S(C)(=O)=O 1771500153 GEJDTJNDHMUSFE-AWEZNQCLSA-N 438.504 2.332 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN2CCCO)C1 1771527703 CRGNCHGIZHBXBC-RXVVDRJESA-N 443.483 2.142 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)CC1=O 1848635267 LGXIMHQSQOBYPQ-CQSZACIVSA-N 437.466 2.490 30 10 IEEE N#Cc1ccccc1OCC(=O)NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1 1852022884 DCHGWXLCEQVSQD-UHFFFAOYSA-N 448.458 2.078 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)n1 1852452253 TZDGDAQIVWAVPJ-LEWJYISDSA-N 438.528 2.012 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)Cn1ncn(-c2ccc(OC(F)(F)F)cc2)c1=O 1853110416 CQGFTSQJJSOHOS-UHFFFAOYSA-N 444.373 2.179 30 10 IEEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636415 VMJUXUTXIOGAIG-UKRRQHHQSA-N 425.457 2.132 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@H](N3CC[C@@H](Oc4ncccc4Cl)C3)C2=O)ccn1 1855102760 JRFFLJWZDKRNTI-AEFFLSMTSA-N 425.876 2.286 30 10 IEEE C#CCOc1cn(CCCCCCO)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871009450 WPWXLVUVOKCMIU-UHFFFAOYSA-N 437.496 2.251 30 10 IEEE CCc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873527124 MIZOLBDMOWEUCZ-FRSZACSASA-N 439.335 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C#N)(Cc2ncc(I)cn2)C1 1905202821 KRHRAWIPXPXJJK-OAHLLOKOSA-N 430.246 2.153 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993235543 OFRWYPAQKCCHES-HUUCEWRRSA-N 425.526 2.039 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2010245513 CIBPNIJYQNSJKL-HOTGVXAUSA-N 439.553 2.170 30 10 IEEE CC(=O)Nc1ccc(NC(=O)COC(=O)C2CCN(C=CC(=O)C(F)(F)F)CC2)cc1 2040424549 BNRDWOXXYLNKMF-UHFFFAOYSA-N 441.406 2.484 30 10 IEEE C[C@@H](OC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1)C(=O)Nc1sccc1C(N)=O 2040482849 APKNJPUMAGYLGC-SNVBAGLBSA-N 447.435 2.074 30 10 IEEE N#Cc1c[nH]cnc1=NC(=O)c1ccc(Br)cc1I 2142282705 HLMYFFOURCQVEF-UHFFFAOYSA-N 429.015 2.390 30 10 IEEE C#CCOc1cccc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)c1 2179339112 QHUHFTPXTLYXJF-OAQYLSRUSA-N 430.457 2.465 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224073780 NYMMPPVVDKBUGP-JOCHJYFZSA-N 433.358 2.237 30 10 IEEE CC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2243387546 WIEJUNUKUIFTIN-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247825279 BAGPIYYMXCQLRZ-OLZOCXBDSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N(Cc2ccccc2)C2CNC2)OC1(C)C 2247901182 GMGOVJOSCYEEFP-UHFFFAOYSA-N 448.419 2.351 30 10 IEEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248440023 DFGFAZLDEXWSOC-SMDDNHRTSA-N 443.350 2.310 30 10 IEEE CN(C[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCO1)C(=O)OC(C)(C)C 2254801680 KEXDPDHHFSMBSJ-KRWDZBQOSA-N 433.358 2.453 30 10 IEEE Cc1cnc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255609458 UDAPZZDLRYWTAC-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)o2)OC1(C)C 2255659933 ZPPQWDYWEUPMKF-LBPRGKRZSA-N 430.232 2.252 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255953531 KDJZHMRAXKJXIE-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2256620863 NWLWDGAXICLWTI-GJZGRUSLSA-N 429.326 2.432 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2256621817 ZHNAAOCJHOHHTN-UHFFFAOYSA-N 432.326 2.327 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2259934567 ZBZSOMMRWNWAIR-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267091222 HNPKUUQFYMXROL-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)OC(C)(C)C)C1 2267200103 SVEBMQNQHMNMBX-QFIPXVFZSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2267502892 VBDBFHGNBSLWLR-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267511172 YAOUDGMJKDJHHH-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1cc(C(=O)NCC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267524188 MHROPSFKXPASPG-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)C[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267602907 UCASXYSGWXHEMZ-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE COC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267803985 PCZUIHRLAAZPSD-UHFFFAOYSA-N 441.289 2.212 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267877345 ULTJLPKZTBSRJG-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@](O)([C@H](N)C#Cc2cccc(Br)c2)C1 2278735884 UEVPBFFXPXHJQQ-VQIMIIECSA-N 425.323 2.126 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2298375840 DMRWUOMOIACMLZ-FPMFFAJLSA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2315694416 YRWJNUDPDKHVHU-ZIAGYGMSSA-N 449.382 2.381 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2N=Cc2ccncc2)cc1 2330736115 VQAMONBHCIVVSM-UHFFFAOYSA-N 437.529 2.485 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)CC1 27559451 RORNFSKROQERML-QFIPXVFZSA-N 449.555 2.186 30 10 IEEE C=C1[C@@]2(C)C[C@@H]3[C@](C)(O)C4=CC(=O)OC(C)(C)C4=CC[C@]3(C)[C@@]13C(=O)O[C@H](C)[C@@]3(O)C2=O 257371039 IJLFVBWYDPGYDN-UIIVGQAOSA-N 442.508 2.164 30 10 IEEE biogenic C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)ccc2Br)CC1 391507534 OAPRCBRPWLZWEW-UHFFFAOYSA-N 445.155 2.272 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1[N+](=O)[O-] 427909984 DXVBEABYZQMHFC-VYDXJSESSA-N 425.445 2.366 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccccc2CN2CCC[C@H]2CO)cn1 445125607 XURJHHXFHLCNKQ-NRFANRHFSA-N 431.500 2.417 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCOC)[C@@H]1CCOC1 460543577 JBFHGQMXWYLKOV-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1Cl 461386137 ZHEDQLSNCSRQPQ-OAHLLOKOSA-N 446.956 2.479 30 10 IEEE Cc1cccc(O[C@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 466228017 RPFMETQDVQHLAX-GOSISDBHSA-N 442.541 2.350 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)C2=O)cc1 485992868 VAESUWRJYQDKRT-RTWAWAEBSA-N 432.480 2.207 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(c4nnc5ccccn45)CC3)C2=O)cc1 487496023 CQXPPPHKYAMOLE-HXUWFJFHSA-N 443.511 2.291 30 10 IEEE CNC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 501302963 RYZMZCDNJBTGGF-UHFFFAOYSA-N 429.436 2.474 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 503157822 QDQMRLQQUCEVTG-OAQYLSRUSA-N 430.461 2.141 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 508498895 WBZRWWDCXSBGMR-UHFFFAOYSA-N 441.513 2.438 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC)cc2)c1=O 523088968 ZHUQRPIQJQMVEG-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cscn3)c2=O)cc1F 523298581 SCKUKUDMBHSMCR-UHFFFAOYSA-N 441.509 2.375 30 10 IEEE COC(=O)COc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 523356922 MBJOYECEZRCNEY-GOSISDBHSA-N 425.466 2.264 30 10 IEEE C=CCNS(=O)(=O)c1ccc(-c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)cc1 545604964 RVDDKLCSNROPNK-UHFFFAOYSA-N 440.529 2.015 30 10 IEEE COc1cc(CNS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)ccc1C#N 580009679 MRBUAJGEQFPZJK-UHFFFAOYSA-N 437.275 2.390 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H]1c1ccc(Cl)cc1 581702399 GRFSIOYXIUHEBO-RXVVDRJESA-N 438.919 2.410 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c(F)c1 586862412 VPYSEGRLNDIKHV-UHFFFAOYSA-N 436.274 2.364 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCCO2)C1 619850023 IGWOOEQVRBFYDA-LAUBAEHRSA-N 426.500 2.073 30 10 IEEE N#C[C@@H]1CNC[C@@H]1c1cc(I)c(O)c(I)c1 687744779 LKLPYANBONMVFR-HTQZYQBOSA-N 440.022 2.428 30 10 IEEE C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)N(C)CC(=O)NC1CC1 728109814 UKXJEWVWKBXVHR-CQSZACIVSA-N 425.441 2.013 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(C#N)cc1 740206812 VFGXPPFGUNGWDI-FXAWDEMLSA-N 448.431 2.404 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cc2)C[C@H](C)O1 742398088 ZODCNPWPSIBUAD-GJZGRUSLSA-N 428.514 2.067 30 10 IEEE C[C@@H](CC(=O)Nc1ccccc1C(=O)NC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 742509346 NULMVKMQRXQYDM-ZDUSSCGKSA-N 426.498 2.035 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCOC2)c1 752834925 IGFFGMFHELLPKH-LPHOPBHVSA-N 438.532 2.175 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 756888379 AMRDNZIAGRBCQM-IIYDPXPESA-N 434.443 2.193 30 10 IEEE C#CCN(C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)[C@@H]1CCS(=O)(=O)C1 757653690 GRZAELYFKIGNBA-OAHLLOKOSA-N 432.523 2.272 30 10 IEEE C[C@](C#N)(NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N)C1CC1 768418801 BNNCOCDFOBHVNT-LJQANCHMSA-N 426.481 2.089 30 10 IEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)C1=O 770685817 MDMLEXWKJKGLGL-YKSBVNFPSA-N 449.555 2.397 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 771639001 SAJDOBSBRNCGQP-XOBRGWDASA-N 431.489 2.089 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 780977851 IPVBKXXCFQUXAV-GOSISDBHSA-N 440.522 2.399 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ncccc2S(C)(=O)=O)C1=O 782816765 WMXFOBMIICUGEW-MRXNPFEDSA-N 446.554 2.061 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1=O 785555306 QAVMSOSOUPFIMK-DVECYGJZSA-N 432.480 2.446 30 10 IEEE C=CC[C@]1(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 790568847 JVRPOAXUCIKATH-OAQYLSRUSA-N 437.562 2.437 30 10 IEEE Cn1c(Cc2cccs2)nc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc21 804368727 HPDUSRJXGLXUNE-LSDHQDQOSA-N 435.509 2.482 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC2=CCCOC2)C1=O 807932071 OWXVBMRJKKOHCC-SFHVURJKSA-N 434.537 2.172 30 10 IEEE C=CCNC(=O)CN1CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 815008705 LKURGYUURGJTJH-GOSISDBHSA-N 430.774 2.230 30 10 IEEE CC(C)[C@@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)N1CCN(c2ncccn2)CC1 914678825 VWYIKBUVURMPFU-YLJYHZDGSA-N 437.500 2.032 30 10 IEEE O=C(CN1C(=O)/C(=N\O)c2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 953082403 XAJKKERLPJSWMQ-ATJXCDBQSA-N 442.497 2.025 30 10 IEEE Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(OCC(=O)N(C)C)c1 1136372447 AFTUVFMKLMCDOS-UHFFFAOYSA-N 433.461 2.151 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)c1 1137644043 GGPQEKZDWZJQRJ-UHFFFAOYSA-N 439.537 2.161 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cc(N2CCOCC2)ccc1Br 1140711517 RCBYFHFPXVKPOP-HNENSFHCSA-N 449.305 2.141 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H](O)[C@H](C)O)nnc1-c1ccc(Cl)cc1Cl 1149551463 OGMQLBSJRARGHO-IINYFYTJSA-N 431.345 2.388 30 10 IEEE C[S@](=O)(=NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 1159163844 CEHIHPMICUPEJL-AREMUKBSSA-N 425.919 2.452 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)C4(C#N)CCCC4)CC[C@H]32)CC1 1161791268 CVEYLZQOAWHVFT-QZTJIDSGSA-N 445.564 2.465 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)c1[nH]cnc1CCN2C(=O)[C@@H](O)c1ccc(C#N)cc1 1167473801 QCAITTWJQOIIBW-MBSDFSHPSA-N 437.500 2.236 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3cc(Cl)cc4c3OCC4)CC2)o1 1176453172 PWYCAOXPMSNAKA-CYBMUJFWSA-N 429.908 2.442 30 10 IEEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1177474956 HINXLDBHHXFKPX-JOQXDGHVSA-N 449.548 2.390 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C[C@H](O)CC3(C#N)CCC3)C2)CC1 1190465948 PFYIJXQFDWFKGM-RTBURBONSA-N 434.581 2.223 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 1198692183 XFEPKKYBHAJFNX-UHFFFAOYSA-N 428.514 2.101 30 10 IEEE CC(=O)c1cn(C2CN(C(=O)Nc3ccc(C#N)cc3I)C2)nn1 1209254242 KKILAWBQESCTJO-UHFFFAOYSA-N 436.213 2.046 30 10 IEEE N#Cc1cc(CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)ccn1 1214058607 ALAWNOMFTCXHHI-UHFFFAOYSA-N 428.514 2.421 30 10 IEEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 1214454800 DAOMJQFGRPECRU-LJQANCHMSA-N 432.528 2.245 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1286290585 TVLBAPNRAPKHAK-HUUCEWRRSA-N 440.529 2.019 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286355254 IOBFNSOTDUAJLS-UHFFFAOYSA-N 429.590 2.385 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1286377299 VFHRAUAOUOQBPH-OALUTQOASA-N 446.596 2.388 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1286387488 RTONZABKWCQBPI-INIZCTEOSA-N 433.603 2.196 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1286412353 ICZFXYBMMSWVEE-GOSISDBHSA-N 435.553 2.248 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1CCCO 1286420475 HGZKKZCGNXKHQW-OAQYLSRUSA-N 436.516 2.163 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1286542073 HBBZXHJNJDVDJU-MRXNPFEDSA-N 446.357 2.481 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286663608 NZGJDHYHQHOHMS-WOJBJXKFSA-N 430.597 2.127 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286729338 PXCFXDRJTSUVSL-GOSISDBHSA-N 433.578 2.378 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 1286783174 MNNOMNGIWFEYTA-UHFFFAOYSA-N 430.940 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)CNC(=O)C2 1286784381 GEDDHOFFUHTXPL-UHFFFAOYSA-N 428.924 2.007 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286788681 BWRGMBAMIPEZGX-UHFFFAOYSA-N 449.534 2.027 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](F)COC)C1 1286803397 HCGBPRMTYMVAOU-IAGOWNOFSA-N 438.525 2.114 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCO[C@H](C)C1 1286823179 LTRACADVVMLSIZ-GOSISDBHSA-N 434.562 2.382 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C(=O)OC)c2ccc(C)cc2)s1 1293153444 HBSZFMNCWYFKMM-KRWDZBQOSA-N 436.555 2.136 30 10 IEEE CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1297547830 SLHBIXUIXBOEIM-UHFFFAOYSA-N 446.515 2.160 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1299240464 AXOBYXWIYYJNII-SFHVURJKSA-N 437.548 2.084 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1300365195 RCMGSLPJNKNTCB-DLBZAZTESA-N 449.602 2.327 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1300380680 FOIGNWICUVVCNS-UYAOXDASSA-N 444.605 2.012 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1300409043 FSKWJPJRGGTRPD-KRWDZBQOSA-N 431.518 2.181 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ccc(Cl)cn1 1300456170 WSJZOLZOXJMQJQ-UHFFFAOYSA-N 449.902 2.389 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NC1CCCCC1 1300511817 LUZHAIGNICNMMN-DEOSSOPVSA-N 441.576 2.231 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1300690981 UPNXSLMDYJTRBD-UHFFFAOYSA-N 449.559 2.487 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300889182 PMAPKOIINHFLPS-MZKRTTBSSA-N 446.640 2.495 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)OC)CC1 1301610520 ZTSXKMNLJFTVAR-UHFFFAOYSA-N 433.534 2.314 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCS(=O)(=O)C4(CCC4)C3)ccc2c1=O 1306898900 CKWGXSRSEKCKAD-AWEZNQCLSA-N 433.555 2.101 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1313098421 UOFMODZSPOXVAZ-LJQANCHMSA-N 444.557 2.069 30 10 IEEE CCO[C@H](CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C 1314070962 GMZDDSWYNQGQSN-NNMXDRDESA-N 435.569 2.499 30 10 IEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)CCOC1 1315273922 YEFANEGLNBIYBS-QHCPKHFHSA-N 441.532 2.458 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)c1ccc(C)cc1 1316269893 OXIMFMULAHDZFP-HOJAQTOUSA-N 440.548 2.336 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1358886852 LUDOXSPUMCJGRM-AAEUAGOBSA-N 433.415 2.066 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1358918605 AGYHBKNNAKIAJL-UHFFFAOYSA-N 428.581 2.495 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1358937113 IWMOUPQPIOKNCY-ZCNNSNEGSA-N 427.553 2.465 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(C2CC2)C1 1358938392 ZZZQRBQSBMWVAJ-QGZVFWFLSA-N 426.952 2.415 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1359014414 IRXREUXJTMFTIB-OXVFITQMSA-N 435.594 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(O)(CC)CC)CC1 1359046281 LRKKBHFJONUYTD-UHFFFAOYSA-N 444.605 2.151 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@@H]1C1CC1 1359107101 CLODWZHRAWFFFX-VPWXQRGCSA-N 425.599 2.496 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1359207160 AXHZCPZYMTZFIW-UHFFFAOYSA-N 430.582 2.357 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359339085 RSBZJZCVWJMPKJ-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359647746 GNEZXOYXOJGPQG-HSZRJFAPSA-N 437.548 2.218 30 10 IEEE COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@]3(C#N)CCCOC3)c2)cc1 1360285124 WSLCPOUCVIAIOL-NRFANRHFSA-N 429.498 2.433 30 10 IEEE CCS(=O)(=O)N(C)c1ccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 1437792307 HFSNTGDXPQOOGA-UHFFFAOYSA-N 431.518 2.496 30 10 IEEE CCCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1snc(C)c1C#N 1439478530 AQUKUTMMXRUWKX-UHFFFAOYSA-N 437.503 2.295 30 10 IEEE CC(C)(C)OC(=O)N(CCNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CCCCCC1 1446140593 BXCHCOYJVVAIAQ-UHFFFAOYSA-N 447.536 2.287 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3C(=O)OC(C)(C)C)ccc2c1=O 1453393941 XZWFTACTPPOFDZ-MRXNPFEDSA-N 431.514 2.054 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4cccc(Cl)c4C)CC3)CC2)o1 1460913309 HYYYDIGZNBJWEQ-UHFFFAOYSA-N 442.951 2.287 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1464324773 BCJYKGSCWOTPFV-UHFFFAOYSA-N 449.935 2.260 30 10 IEEE CC1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H]1C1CCN(Cc2ccccc2)CC1 1468238762 AHBAMQVFZXDIDR-QFIPXVFZSA-N 449.555 2.360 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)CNS(=O)(=O)c1cccnc1 1468866619 FRFWQMIHEAARFZ-UHFFFAOYSA-N 426.292 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)CC1 1470223276 QFLAQNRLEUTARC-UHFFFAOYSA-N 428.533 2.233 30 10 IEEE O=S1(=O)CCC(O)(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1473848311 MEVIODUUJCUCKY-IUCAKERBSA-N 431.345 2.029 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccco1 1495774604 NUHSRYYHVPLBKQ-QGZVFWFLSA-N 448.531 2.408 30 10 IEEE CCN(C)C(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1501416109 BOYMBHRYANHHLC-QFIPXVFZSA-N 434.504 2.202 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1507644925 PTXRXOJPINFXBD-HXUWFJFHSA-N 430.512 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccccn1 1507662245 GWKOLUQASQVEHY-UHFFFAOYSA-N 433.537 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC1CCS(=O)(=O)CC1 1507673640 YBGXOGGLSHEUMQ-UHFFFAOYSA-N 440.569 2.453 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1507690693 VHGNXKDKXBUBMI-ROUUACIJSA-N 446.573 2.363 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1 1507805664 NFEWJCWJPMXPRW-IKGGRYGDSA-N 425.599 2.496 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507811563 SBOJUCBGODKIBU-XQBPLPMBSA-N 433.597 2.485 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1508042075 UGKRBDCSXMLWAK-QGZVFWFLSA-N 443.573 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](COCC)C1 1508073556 OBHAGMGQAPQIPZ-INIZCTEOSA-N 428.493 2.408 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1508084166 JHILYOKBMYRKSS-QFIPXVFZSA-N 446.555 2.404 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)C1 1508125462 RIHVMIXKRBHVIA-CABCVRRESA-N 436.438 2.473 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(Cl)cc1 1510040431 DBSKJXDNJQLXKH-XYPHTWIQSA-N 430.896 2.079 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1519289581 BHKFLASKQOGUTA-JTSKRJEESA-N 432.569 2.391 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 1525683558 IMISPTBOODXEGG-HZPDHXFCSA-N 439.468 2.272 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1530737107 ZJURCCBHLMDSQO-NVXWUHKLSA-N 430.364 2.197 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539062528 BXZQYTOFDTWUER-FQEVSTJZSA-N 437.592 2.220 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1539067438 GNFCWPGLZFVEAV-KRWDZBQOSA-N 449.559 2.297 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCCC1(C)C 1539179467 OSJYDMFDCFYYRZ-IAGOWNOFSA-N 433.553 2.471 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H]1OC 1539399672 PEWYELHKUIEHGO-AZUAARDMSA-N 446.573 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCOC2)CC1 1539474480 RJYRVIDMCQVVER-GOSISDBHSA-N 437.544 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1539628924 UINXBLJFKAYTPS-XLIONFOSSA-N 425.537 2.021 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@H]1OC 1540193614 AAXBRRWBVOMHSR-GHTZIAJQSA-N 444.532 2.407 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1540870070 DTHBFUYHRSLUMT-DLBZAZTESA-N 444.511 2.056 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1540870204 HBAXGLBYUMHVSL-ZWKOTPCHSA-N 444.605 2.419 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)OC)CC1 1540880895 STNRTBIJVVWCOF-SFHVURJKSA-N 439.516 2.232 30 10 IEEE CC(C)CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541530864 CFJAUZYZXNQGFH-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE COc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1 1542587387 WCQKGSBUTODIJZ-UHFFFAOYSA-N 438.333 2.463 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(C(C)(C)O)c1 1543318275 VAWFOPATFCMMKW-INIZCTEOSA-N 432.532 2.239 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CO1 1543734717 KAWRTNXOWHVXLX-BRWVUGGUSA-N 437.537 2.485 30 10 IEEE O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1544775756 FXCGLMPESCTPEC-RMKNXTFCSA-N 439.487 2.385 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1554571476 HJVGDYQRJKMLTE-LJQANCHMSA-N 438.532 2.069 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(Br)n2)CCO1 1555993472 OWAJLYHWRZOODE-AWEZNQCLSA-N 426.278 2.275 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)CC1 1565255192 RFSGJECVNORNMJ-UXHICEINSA-N 432.590 2.144 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566577627 FDDCEWRKQHVIOB-LNKGRISISA-N 430.936 2.275 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCN(c2ccccc2Cl)CC1)c1cc[nH]n1 1568771572 QGGMYMMXOHWVRL-UHFFFAOYSA-N 433.896 2.086 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)nc1C 1585261515 NGLSCMSIFFELHC-IUCAKERBSA-N 446.480 2.438 30 10 IEEE Cc1ccc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1587324709 IGIMYDUDCMXENA-HNNXBMFYSA-N 444.362 2.433 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1587773749 UATJQBYSPBPKCI-FQEVSTJZSA-N 440.569 2.308 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1587830796 BWJUCROBUQOBJM-UHFFFAOYSA-N 445.453 2.019 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588064803 PIHLFKXPTZEASZ-LEWJYISDSA-N 441.601 2.160 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)[C@@H](C)CC 1588124989 XWRANFQAIQIVSY-PXNSSMCTSA-N 432.528 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1588250602 GUBLVBCWNHMJMH-HXUWFJFHSA-N 440.569 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(C)CN(C)C1=O 1588595265 QQYWSZNVLPWJSH-NRFANRHFSA-N 433.459 2.111 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1588969191 WUZLYQZETQARPP-UHFFFAOYSA-N 439.545 2.068 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1589116348 GVNORXFGXOTZAX-QGZVFWFLSA-N 443.573 2.195 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1589404898 NFRKNARXOIUDQO-QFBILLFUSA-N 440.386 2.382 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1589528871 JBWAIDFEOGXAMY-APWZRJJASA-N 446.577 2.120 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1593886023 PWEBLVRUYMZTRH-AUUYWEPGSA-N 440.928 2.170 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1594753129 XPVDWGRGOKCCIA-UHFFFAOYSA-N 429.594 2.454 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1595561925 HSEPTDUULMSOMK-OAQYLSRUSA-N 448.527 2.153 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccon2)cc1 1595614250 QMOCHVUEVFXUQE-QGZVFWFLSA-N 443.529 2.418 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)CC2)o1 1595692597 NXGYSTXZHZGIOF-SAABIXHNSA-N 428.514 2.192 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)C1 1595706288 JVELEPKWEQDKLK-KRWDZBQOSA-N 434.500 2.277 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1597984844 BBTVNFSUEOHJCR-IAGOWNOFSA-N 426.521 2.426 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1611541461 JFSGMVCIYSHTBX-QFIPXVFZSA-N 449.479 2.498 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1(O)CCC1 1613314228 HADYYCAGURNWIO-INIZCTEOSA-N 426.569 2.337 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)OC 1614411076 DRGIMNJVQWWJKJ-HKUYNNGSSA-N 426.521 2.246 30 10 IEEE CO[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619504383 TYOSBWCXVCHOGE-ZBBYCGENSA-N 442.545 2.072 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1COc2ccccc2O1 1619989564 HEPFSOUEGIVPFX-WHSLLNHNSA-N 431.468 2.284 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(Br)cnc3[nH]2)c1 1624789719 USKHOCYNONMIDB-UHFFFAOYSA-N 436.291 2.437 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1626829923 HIZNVHQPFTVLNF-IEBWSBKVSA-N 444.381 2.298 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 1628132378 DIIRJGKPUBDRJF-HZPDHXFCSA-N 441.937 2.445 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC3CCCCC3)CC2)s1 1631438547 UWOKWEKFAXWKCS-UHFFFAOYSA-N 425.620 2.479 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)OC)c2cccc(C)c2)s1 1632834255 CHQKHTNEZOUJJJ-QGZVFWFLSA-N 436.555 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CC[C@](F)(C#N)C3)c2C(F)F)C1 1638649341 FTTKXXMUANGFBN-VOJFVSQTSA-N 428.415 2.475 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1 1639961716 GWCIEDAIJISCKX-LJQANCHMSA-N 442.520 2.260 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)c1 1641700012 IZDMBPFQNQWLKT-PKTZIBPZSA-N 436.556 2.080 30 10 IEEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)C(=O)OC 1642412023 ZSZYRFHIJMPHEW-LJQANCHMSA-N 426.494 2.123 30 10 IEEE O=C1C=COC2(CCN(C(=O)c3cc(S(=O)(=O)Nc4ccccc4F)c[nH]3)CC2)C1 1645737866 OBXHBXIYAMGKFB-UHFFFAOYSA-N 433.461 2.433 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2cc(C#N)cs2)c1 1652898316 USBDWQUVISKUNR-UHFFFAOYSA-N 427.935 2.470 30 10 IEEE CCN(C(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 1652918612 CEIRPAJEDGVDTL-CYBMUJFWSA-N 439.946 2.137 30 10 IEEE C=CCn1c(S[C@H]2CCN(CCC(=O)OC)C2=O)nc2sc3c(c2c1=O)CCC3 1656058059 JZIWNYBDFXNPDQ-AWEZNQCLSA-N 433.555 2.389 30 10 IEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cc21 1657081987 UPJXSLPEIYBKJM-SFHVURJKSA-N 425.514 2.127 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2cccnc2N2CCCC2)c(C#N)cn1CCOC 1660530077 IBZLSUSLPAZPJA-UHFFFAOYSA-N 440.504 2.500 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2cccc(NC(=O)COC)c2)c(C#N)cn1CC 1672405352 DACIDXKYJLNXLX-UHFFFAOYSA-N 427.461 2.463 30 10 IEEE C#CCN(C(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)C1CCN(C)CC1 1674123914 QVZMSBRASJTITH-KRWDZBQOSA-N 438.494 2.349 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1678592811 OVNZWYGBPGHDRL-KRWDZBQOSA-N 433.530 2.118 30 10 IEEE C#CCN(C)CCCNC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1682794267 DKWCZULUZDPGQS-ROUUACIJSA-N 442.457 2.327 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1689893177 WDVOKDYODAYXTA-XXBNENTESA-N 442.585 2.390 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1689907875 OQUIJTGQCGBMGI-UHFFFAOYSA-N 438.532 2.228 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689979423 AOMUWFXZQOHSSF-SFHVURJKSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCS1(=O)=O 1690011947 KFFIUSGYOXWEDY-NRFANRHFSA-N 448.552 2.171 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)[C@H](C)CC)CC1 1690115150 UZNUFQXPOJGJCM-GOSISDBHSA-N 425.537 2.339 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690467348 UEGASGMZNYSAHQ-VQTJNVASSA-N 430.597 2.304 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@H]1OC 1690516474 KNPWNVAWDPVDPT-DLBZAZTESA-N 448.593 2.220 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1690668931 OFVWQLLALOAAKB-HXUWFJFHSA-N 435.532 2.121 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1noc2c1CCCC2 1692672216 DXUQHJVNYYSCHY-HNNXBMFYSA-N 449.515 2.344 30 10 IEEE CN(C)S(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1696623809 BIJJSNQRUOGUIC-NRFANRHFSA-N 430.578 2.085 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1696990672 NPEYAMUUYHXXDP-AUSIDOKSSA-N 438.532 2.117 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705526224 CJMVXIVEYYQELY-IBGZPJMESA-N 440.573 2.338 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705543428 FXLQASMMAURBSQ-UHFFFAOYSA-N 438.576 2.226 30 10 IEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1705571706 GMBUZIGBUXFMNZ-QGZVFWFLSA-N 446.598 2.030 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(OC)CCOC2)CC1 1705636651 SGSWOXZVOYWDKA-QFIPXVFZSA-N 445.951 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccsc2Br)CC1 1705637754 KJBHGMSPPLNWCP-UHFFFAOYSA-N 446.378 2.306 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCOC[C@@H]1CCOC1 1705669440 MWLNPJQKIHBSKR-PMOQBDJRSA-N 432.565 2.366 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705708814 HRXLEVAIBYRONU-XJUOHMSHSA-N 446.640 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705899097 HXRGGIJWIKUQAJ-ZIAGYGMSSA-N 439.969 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CC2)C1 1705917660 XKWQUNRPSJHDAR-XHEIURJNSA-N 438.594 2.011 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1706070866 PYYWOEZLSAMHNQ-JPWUFHEYSA-N 440.895 2.116 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccccc2)CCOC1 1706678092 BRVJIYORWHODCK-SIKLNZKXSA-N 427.505 2.126 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOCC1CCOCC1 1707912370 ZOVXBEQNKZVNRS-UHFFFAOYSA-N 425.537 2.013 30 10 IEEE C[C@H]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1708012507 BSXACTAVKZEUBG-FUHWJXTLSA-N 428.562 2.335 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CCOC1 1710423030 DQEUYHGMXLLSBL-CROMWVBPSA-N 448.612 2.414 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCC(C)C)CCOC1 1710479587 IPIVXVAAQRYIQU-UGKGYDQZSA-N 448.637 2.496 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCc3cccnc32)CC1 1722429105 GYXQQTPHYJQABR-HXUWFJFHSA-N 449.603 2.467 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722457690 KNQRMXQHVAFPRI-UHFFFAOYSA-N 442.618 2.105 30 10 IEEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722647930 PALOSMYCPLGOCC-KRWDZBQOSA-N 428.562 2.185 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1722677264 YPKZQHIBYUUJTB-SFHVURJKSA-N 443.548 2.282 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1722725248 MVWCDDUZXBJTJA-UHFFFAOYSA-N 429.550 2.219 30 10 IEEE COc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)c(OC)n1 1730151368 FQQOFUYXSHHNSO-UHFFFAOYSA-N 448.531 2.455 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1730663375 CSWXXENGHMTHLQ-GOSISDBHSA-N 426.521 2.070 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1C 1730788255 BZIZMVOKEXWDAL-QFBILLFUSA-N 446.502 2.398 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1730891546 RCRGGPVYKGQGFV-HXUWFJFHSA-N 436.520 2.130 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740627312 PGZBYLAVYNQLID-GJZGRUSLSA-N 436.500 2.071 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCCO2 1740629243 GWSGWYDPGKTDRJ-UHFFFAOYSA-N 442.479 2.208 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(OC)ccc1OC 1740632886 YBIDQPLILXFLFV-DEOSSOPVSA-N 438.528 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CCCC1 1740653073 YTRUKBVYJQZYKJ-UHFFFAOYSA-N 425.558 2.469 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@@H]1C 1740654739 TWISOFVXGHJEKN-SFHVURJKSA-N 427.499 2.331 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740861349 JVWMVLVBCYYSSS-QGZVFWFLSA-N 430.520 2.468 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2c(C)cccc2C)C1 1740982188 ZJMHBNNBGBXBLI-MSOLQXFVSA-N 438.532 2.266 30 10 IEEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1741501590 CIGMAMNBNBBENQ-ZRCGQRJVSA-N 441.532 2.477 30 10 IEEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCO1 1742950860 FKBAOJAQUVEMHP-AYBZRNKSSA-N 429.546 2.255 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1744050468 GKWWVQSOYHTOFY-FQEVSTJZSA-N 437.520 2.163 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCCC1 1748504723 ARRRGFIIHOJYOL-SFHVURJKSA-N 438.532 2.390 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748812322 SNHFZOUOIFBUMH-LNLFQRSKSA-N 431.562 2.028 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749135540 FUGDXHCFIDCRQD-YLAKUSLOSA-N 445.589 2.458 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)c1 1751395252 CBJJGPGHNJPFSN-SFHVURJKSA-N 440.548 2.494 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1760100408 VIBWGUNLSVDZBG-QMHKHESXSA-N 438.532 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O 1760222847 ASFBWNHVMJGZAC-GOSISDBHSA-N 444.532 2.426 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)(F)C1 1760316696 VUSVCHRNDDIXGU-KBMXLJTQSA-N 447.552 2.351 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1760400888 RRCQEAZXRYMMAD-KRWDZBQOSA-N 430.553 2.499 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760426961 JLCXZQMLTJIAHS-NRFANRHFSA-N 437.592 2.363 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1760464168 BEKZOJPXNMWICO-PMACEKPBSA-N 445.589 2.427 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1760503640 MBAMAGOABGSPIJ-UHFFFAOYSA-N 448.531 2.096 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)C 1760520916 DHAPYRGDKULMLF-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1760524344 VTPADEAAFUXNQD-KRWDZBQOSA-N 428.493 2.407 30 10 IEEE CC(C)COCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1761149181 JMDGFKWKFLSHCY-INIZCTEOSA-N 437.504 2.385 30 10 IEEE CC(C)Oc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1761298613 FKUBBZRVADHWBH-DYESRHJHSA-N 447.536 2.458 30 10 IEEE Cc1csc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CCO2)n1 1762220067 COUQNNOOFJJXDC-QGZVFWFLSA-N 437.529 2.248 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1767633535 BBGMOKYQRXULNY-SFHVURJKSA-N 440.548 2.469 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccccc1F 1767942312 CRQNDRNFOPATFO-INIZCTEOSA-N 436.495 2.379 30 10 IEEE CO[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1769094983 PIKWRTCXUUIRQN-AJDGDAIWSA-N 428.537 2.323 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)(C#N)CC1 1769273690 OAXGEULVPGWGDG-INIZCTEOSA-N 425.472 2.035 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)C1 1772792125 HCMARODUNVZMGU-CQSZACIVSA-N 428.466 2.475 30 10 IEEE Cn1cc(C#CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 1850310198 SESXKPBDPPGWIW-FQEVSTJZSA-N 428.558 2.039 30 10 IEEE CS(=O)(=O)c1ccccc1OCC(=O)N1CCC(COc2ncccc2C#N)CC1 1852543537 LUZFJMUEJGVXQR-UHFFFAOYSA-N 429.498 2.053 30 10 IEEE Cc1nnc2c(N3CC[C@H](NC(=O)c4cccc([C@@H](C#N)c5ccccc5)n4)C3)nccn12 1852612283 JQLNFYOQCNEJIX-OALUTQOASA-N 438.495 2.492 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(F)(F)F)C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1852621048 ULHYCJYFYIGRBV-STQMWFEESA-N 430.383 2.462 30 10 IEEE COCCN1C[C@@H](C(=O)N(C(=S)N=CN(C)C)c2cccc(C(F)(F)F)c2)CC1=O 1852977209 QRZNXLWRFUJYQE-ZDUSSCGKSA-N 444.479 2.408 30 10 IEEE COc1ccc2c(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)cc(OC)nc2n1 1853099971 ROZUZYUXGATUFR-UHFFFAOYSA-N 432.380 2.131 30 10 IEEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1853818314 PKRBRWWKCSPQGM-UHFFFAOYSA-N 431.901 2.122 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(=O)[C@H]3CCOC3)c3ccccc32)cc1 1854284122 VLYCMDXTIWFWBV-INIZCTEOSA-N 425.466 2.053 30 10 IEEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)C(=O)C1 1854621700 FPLUZQFPJCWJDU-ROUUACIJSA-N 433.574 2.214 30 10 IEEE C[C@@H]1CC(=O)N(C(=O)COc2ccc(F)cc2)c2ccccc2N1S(=O)(=O)CC#N 1857462610 LILJCUZASMSVRM-CQSZACIVSA-N 431.445 2.216 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)c1 1862741188 MORKZSTUKYNPQD-IBGZPJMESA-N 439.424 2.318 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862756807 RSZVDXMWDGUNTG-ZMZPIMSZSA-N 428.397 2.268 30 10 IEEE O=C(NCc1cccnc1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933224 BMZLXKUTISYRSV-IBGZPJMESA-N 438.484 2.187 30 10 IEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccs1 1874209803 GWSOBMGGLPHMEU-GTQIFZCBSA-N 440.554 2.315 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1 1874338220 SYWBLGMSEZQYEP-SBUZPKSBSA-N 431.518 2.158 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(NCCN3CCOCC3)ncnc21 1875227666 IXAKSHKOQHBJKA-QZTJIDSGSA-N 426.565 2.480 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1908262384 MKDWUDVBXYXZKY-YSIASYRMSA-N 428.533 2.247 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](O)c1cn(C)nc1I 1922059527 HRZZEBOYANSODI-HZPDHXFCSA-N 427.286 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCOC1 1964763749 MILOYCAPNGBCRX-UFYCRDLUSA-N 428.533 2.153 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1985008225 GCERVPDFEYBPNH-XHSDSOJGSA-N 427.542 2.190 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 1985008989 KXIAXQZXANAHEX-VGWMRTNUSA-N 427.542 2.236 30 10 IEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N=c1[nH]ccc(C#N)c1[N+](=O)[O-] 1999032739 SWUVPIFVFIJJLC-UHFFFAOYSA-N 436.469 2.113 30 10 IEEE C#C[C@]1(O)CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2009818325 AAYBWAPNPHBBEN-QHCPKHFHSA-N 427.545 2.143 30 10 IEEE CC(C)(C#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)NC(=O)OC(C)(C)C 2023917771 NONSLGKCAIYPJL-CVEARBPZSA-N 439.553 2.027 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(C#CCCO)c1 2145939480 QRLOLPKADWATCQ-UHFFFAOYSA-N 426.494 2.239 30 10 IEEE CON(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247833250 CUTNHJMDYFKMPH-UHFFFAOYSA-N 439.343 2.065 30 10 IEEE CON(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247908252 PVYUUECDBDVNDA-UHFFFAOYSA-N 439.343 2.065 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2247922724 MKAASFFGQSXDAW-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255703525 UAUYUEFOSGKEMT-RYUDHWBXSA-N 430.232 2.250 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127766 LTTBHEVAPWHGMH-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267184326 UJGDQLFEHHQCQU-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267273083 HRCCVTDIUOYDQY-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267462101 UUJRFLNGPSITMA-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267524272 NPYPGSHGDNMLGR-ILXRZTDVSA-N 446.357 2.036 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2268643140 WMVOFHQGRZAVHP-ZBFHGGJFSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2268651619 PXPISLADMACOHV-UHFFFAOYSA-N 445.369 2.477 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)co2)OC1(C)C 2269045189 IGCMNRJEUHFRMS-HSZRJFAPSA-N 440.305 2.038 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2271964278 ZFBLTQAYMCSIKL-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2272632608 RKBVQHSPEFNNCH-NPMXOYFQSA-N 443.353 2.368 30 10 IEEE COc1ccc(S(=O)(=O)NN=Cc2ccc(OC)c(O)c2Br)cc1OC 2323404234 MAPUZLFRCWTQJW-UHFFFAOYSA-N 445.291 2.493 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 27559935 PSHYXIBKUBKAEL-CQSZACIVSA-N 449.527 2.335 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1)NCc1ccc2c(c1)OCO2 59015423 FYRGAUGYRSNXHH-ZVBGSRNCSA-N 426.458 2.094 30 10 IEEE CCN(CC)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 111088229 OAHWWQKPIZYOSY-JOCHJYFZSA-N 440.569 2.474 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 117119901 ZFNRDGYJKCUKIK-UHFFFAOYSA-N 428.558 2.126 30 10 IEEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 426132731 BCMNBGHKRDZSGP-UHFFFAOYSA-N 447.948 2.469 30 10 IEEE Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)NC(C)(C)C 443327111 FDDBKTGAJZXHFP-UHFFFAOYSA-N 434.562 2.457 30 10 IEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461277319 PDNYQOAOVBVVOD-CQSZACIVSA-N 425.470 2.196 30 10 IEEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Oc1ccccc1F 466160604 BIYZDUQIFWZYTQ-INIZCTEOSA-N 446.504 2.181 30 10 IEEE COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@]2(C#N)CCc3ccccc3C2)c1OC 471941341 LHDIXGFUNWPGBU-OAQYLSRUSA-N 430.482 2.220 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 479555614 JAAARNNHQLLVIJ-GFCCVEGCSA-N 447.314 2.398 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c(C#N)cn1CCOC 481501889 MPYJFGQZKJWWMW-UHFFFAOYSA-N 433.509 2.046 30 10 IEEE CN1C(=O)C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H]1c1ccc(Cl)cc1 507963835 IDXMDZCSIHIPLN-RDTXWAMCSA-N 434.861 2.370 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cn2)CC1 508191354 BRBVEADLTFODMJ-UHFFFAOYSA-N 434.544 2.458 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1F 523860879 KPRHHJAHSYKCHC-INIZCTEOSA-N 444.528 2.355 30 10 IEEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cccc(C#N)c1 532430677 HTWCYQILQGBLAO-UHFFFAOYSA-N 428.514 2.192 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc(Br)ccc3F)CC2)n1 546884688 UDIRBABWUHHBTI-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 553520450 NLNNVWUBDKJWCJ-UHFFFAOYSA-N 436.335 2.432 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CC1 562279613 ZCPBNRWCLBNVLO-UHFFFAOYSA-N 431.540 2.498 30 10 IEEE N#CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCCC1 585705244 DZRAWOMZMKQQTR-UHFFFAOYSA-N 433.530 2.201 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(F)cc1 590972633 GLPKNUGJKUJNSW-UHFFFAOYSA-N 437.496 2.076 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)cc1 603789526 VQFQWAFWYSTALS-UHFFFAOYSA-N 433.508 2.472 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604001334 LTFWOBHGTSZSLH-UHFFFAOYSA-N 440.528 2.333 30 10 IEEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 685533801 BJVWIXKYDVUTKH-FQEVSTJZSA-N 431.544 2.422 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCCCC(=O)OC)C1=O 726411794 KPFIQFPCLHBRMH-HNNXBMFYSA-N 425.482 2.245 30 10 IEEE C[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1cccc(NS(C)(=O)=O)c1 727480939 JOVIVGBATKHFDY-HNNXBMFYSA-N 442.545 2.354 30 10 IEEE CCOc1ccccc1[C@@H](CC(=O)NS(=O)(=O)Cc1ccccc1C#N)NC(C)=O 728409189 MBJSXWDAIVSQSC-LJQANCHMSA-N 429.498 2.170 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)cn1 735069179 MUZFLUCCIZCUEC-LJQANCHMSA-N 448.548 2.081 30 10 IEEE C=CCN(CC(F)(F)F)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 742285010 JPTLJBUUAZHMRU-UHFFFAOYSA-N 442.257 2.379 30 10 IEEE COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1C#N 746858630 JUUMTAGEIUZNQT-IBGZPJMESA-N 427.526 2.425 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1C#N 747496150 ZGVQIUOKFFPCSR-UHFFFAOYSA-N 436.468 2.347 30 10 IEEE C#CCN(CC#C)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 752153929 UDZRZPUWKRYMHH-UHFFFAOYSA-N 442.493 2.222 30 10 IEEE C[C@@H](C#N)CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C1CC1 754175328 OQIUMUMJEQQGLF-HXPMCKFVSA-N 433.306 2.367 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)[C@H](C#N)C1 757574351 DXISOPFWXKNEOA-RTBURBONSA-N 426.517 2.414 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 759171293 APKYQAZTMDILKJ-UHFFFAOYSA-N 435.387 2.418 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)Cc1cccc(I)c1 761003795 LQAJFAOWJRTUCF-UHFFFAOYSA-N 440.262 2.352 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCC(F)(F)C2)cn1 763235731 XYSONWLOIIUHSH-HUUCEWRRSA-N 442.536 2.090 30 10 IEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)C1=O 770685813 MDMLEXWKJKGLGL-RDPSFJRHSA-N 449.555 2.397 30 10 IEEE N#Cc1cc2c(nc1NC(=O)c1ccc(F)c(S(=O)(=O)N3CCOCC3)c1)CCCC2 776350606 SNIGIWBCSGJSNP-UHFFFAOYSA-N 444.488 2.244 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 783865663 GIVFNYOBJNFXAP-BURPLHJFSA-N 438.509 2.464 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)OCc1cc(O)n3ncc(C#N)c3n1)CC2 784116717 BSORVKFJGBZOQO-JTQLQIEISA-N 432.362 2.272 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)OCc1cc(O)n3ncc(C#N)c3n1)CC2 784116719 BSORVKFJGBZOQO-SNVBAGLBSA-N 432.362 2.272 30 10 IEEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cccc1Cl 784960434 VMGXMHBTJWAQAN-QGZVFWFLSA-N 440.836 2.087 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)n(C)n1 790001468 LOWPRDAOFWQKRK-IBGZPJMESA-N 442.589 2.237 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn2ccccc2=O)c1 790677974 JRTSHPORZKEZTN-WZONZLPQSA-N 425.485 2.095 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(N2CCCCC2)C1 794210655 USYKQNLIIQNYKJ-TVPLGVNVSA-N 432.590 2.273 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc(-c4ccccc4)c3N)CC2)o1 797485795 XKFDNYQPVVTLLZ-UHFFFAOYSA-N 446.467 2.005 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](CNC(C)=O)C1 800778937 PXQPDDWIPLWTOW-LJQANCHMSA-N 426.521 2.243 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 802504540 JHEQPCKXZACBJA-JOCHJYFZSA-N 427.505 2.149 30 10 IEEE C=CCn1c(-c2cccnc2)nn(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1=S 802746084 BAYRWCULAOBKKU-UHFFFAOYSA-N 434.591 2.119 30 10 IEEE CC(C)CN(C(=O)COC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 803924762 OGVKKGMAECTIEN-GOSISDBHSA-N 438.521 2.190 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 804672925 VILUUAGSQYYURS-FHWLQOOXSA-N 431.533 2.466 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 805784120 FYQBTCITOXMNKO-OAQYLSRUSA-N 434.606 2.315 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 805794837 ZAKPSZQOAXQMRX-RDPSFJRHSA-N 447.624 2.402 30 10 IEEE CC1(C)CN(CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCO1 807247611 CJOIFNAPVIZENV-UHFFFAOYSA-N 426.542 2.130 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)cc1 814319357 ZHPWNAVRXXZINI-QIRSZLOZSA-N 442.545 2.169 30 10 IEEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)n1 914678905 GKKMBKHLFUTBGZ-MRXNPFEDSA-N 434.456 2.408 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 923524517 ASQQKNWZSLIGMH-CQSZACIVSA-N 435.436 2.413 30 10 IEEE COc1ccc(N2/C(=N/C(=O)[C@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 1082863309 DSHDCRRFFWBCGC-HWGCYYLHSA-N 430.935 2.129 30 10 IEEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C2CCCC2)n1 1136149278 DOLQYCDGOJRBLW-UHFFFAOYSA-N 427.530 2.096 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1ccc(OC(F)(F)F)cc1 1137127091 MSPIMQUMGUMDQA-AWEZNQCLSA-N 431.367 2.384 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)C1 1143720937 ZXGQKIKJODRUIM-RBUKOAKNSA-N 425.510 2.220 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 1147331194 YBDLKUMLWSWAQL-CCKFTAQKSA-N 443.500 2.181 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 1150648704 MHZMWVBSRWGDLI-SFHVURJKSA-N 430.505 2.264 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cc1 1155847160 VSZHILCTUXGKPI-MRXNPFEDSA-N 431.876 2.003 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 1157594971 XNZGOXSKIOZBHF-CQSZACIVSA-N 438.431 2.037 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(c3nc[nH]n3)CC2)nnc1-c1ccc(Cl)cc1 1163782308 YWJDMTKONUEHEZ-UHFFFAOYSA-N 444.952 2.344 30 10 IEEE COc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c(OC)c1OC 1167590496 TUCLGOZPQUAAEI-UHFFFAOYSA-N 440.456 2.450 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2N)c1 1188047243 XMXJGAQLPCOYER-UHFFFAOYSA-N 436.497 2.013 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2c(F)cccc2Br)c1=O 1189868794 BYJZXDCMEGJAAD-UHFFFAOYSA-N 438.253 2.173 30 10 IEEE C=CCC1(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CCOCC1 1192285717 HWRZIEZIBDXLDA-RBUKOAKNSA-N 438.546 2.067 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1 1233850578 CHCVFGANYQWDRA-TUKIKUTGSA-N 428.411 2.196 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1268927550 PMOFMEHDOQTPIA-HOTGVXAUSA-N 448.527 2.322 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCCC 1286289051 JWLZRLSFUWZJLT-INIZCTEOSA-N 435.532 2.220 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286385118 UHJFHJAYLLDUEJ-AZUAARDMSA-N 444.557 2.005 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286407203 RESHXSJDZLEUGI-QHCPKHFHSA-N 441.539 2.190 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(CC(C)C)C1 1286416173 WIOOSOPMVLUCOA-FKBYEOEOSA-N 427.593 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCCN1CCN(c2ccncc2)CC1 1286433401 SYGOJAWUNLDXIU-HSZRJFAPSA-N 447.587 2.200 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC=CCO2)CC1 1286470200 USVLCEWDWQFRPX-NRFANRHFSA-N 434.544 2.248 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1286561782 OVZNIIGYPCQPIS-DYESRHJHSA-N 440.548 2.100 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1286785362 JWYJWUDUIKXALP-FQEVSTJZSA-N 440.548 2.197 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1287234562 GFTYLJOCJYDIHL-KNQAVFIVSA-N 443.573 2.239 30 10 IEEE CCc1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1293011036 WNIDCSHNYRFUMU-VXPUYCOJSA-N 428.443 2.208 30 10 IEEE C=C(C)CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1298204281 VZXIHTOHPQTFGZ-HNNXBMFYSA-N 431.352 2.065 30 10 IEEE CN(CC1CC1)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1298522895 WPXNLAPQWDKGQH-QZQOTICOSA-N 440.479 2.369 30 10 IEEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCC1 1299492879 IEQRDALJUOQDDU-UHFFFAOYSA-N 433.530 2.059 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1301004263 WKDOVIULLKVYSK-HKUYNNGSSA-N 434.562 2.339 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1301198794 CPALCQCNZRLNSV-UZUQRXQVSA-N 439.516 2.052 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 1301973690 DIPWDGPNEQEENH-UHFFFAOYSA-N 436.537 2.299 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1302369730 YBPRBPNTQJIYDS-RTBURBONSA-N 446.502 2.398 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)C1 1302978228 HTHRFNVRSLRMQK-YJYMSZOUSA-N 438.385 2.460 30 10 IEEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cnn1CC(C)C 1304118506 XSJZFITUGAXJRM-DOTOQJQBSA-N 433.582 2.128 30 10 IEEE C[C@@H]1SCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1305250785 CJXPYPZPJFYLRT-AKYKKRFZSA-N 446.577 2.376 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1 1309870194 LNYLTRFNQYFXIV-UHFFFAOYSA-N 448.566 2.139 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1316101683 MMLCMZSZBWLFTC-NZQKXSOJSA-N 440.548 2.359 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCS(=O)(=O)c2ccccc2)C1 1316526684 AWDRAUSPFYGJPK-HXUWFJFHSA-N 441.492 2.041 30 10 IEEE C=CC[C@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)OCC 1323843588 BRRFWPRZQYYNCB-ZDUSSCGKSA-N 425.279 2.189 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1345026091 ULUNJIJTNUEOFT-SJLPKXTDSA-N 448.976 2.186 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C1CC1)N(C)C 1358874892 GBPZKHQDQCACDG-QAPCUYQASA-N 443.621 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC=CCO1 1358895096 CLBRDRGPVRUGBI-GMAHTHKFSA-N 434.588 2.446 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359055405 CQGMZJDLDVCCMQ-GOSISDBHSA-N 430.622 2.045 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359055663 LOCAKKALFVZCHM-KRWDZBQOSA-N 430.622 2.091 30 10 IEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359120855 HGUVFGAXXYKERC-UHFFFAOYSA-N 429.525 2.166 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2)CC1 1359164983 DQJJFBNQUFKRFT-FQEVSTJZSA-N 445.589 2.319 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359174715 MVWRYMPVZOZBCP-NQIIRXRSSA-N 438.594 2.156 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccco1 1359281268 UEPGLDWGMFEVOJ-NRFANRHFSA-N 429.477 2.145 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359301600 DBSWTLYSBCTXRL-QGZVFWFLSA-N 439.495 2.386 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1359307743 UDOATOHSIRWXMY-SFHVURJKSA-N 446.573 2.409 30 10 IEEE CC(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359907462 GCKATJGORPCDMO-OAHLLOKOSA-N 444.561 2.151 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1360478047 FDECLHGEWRNCIU-PXNSSMCTSA-N 426.521 2.251 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cnn1CCC#N 1434966479 PTKVWOISFZMMMK-UHFFFAOYSA-N 430.306 2.466 30 10 IEEE CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1 1436556277 MYOGCVUQDXDKAG-GOSISDBHSA-N 434.539 2.062 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1456604278 JSSHIVSJXNVHNG-AWEZNQCLSA-N 439.509 2.500 30 10 IEEE CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(C(N)=O)c1 1458087718 GGVVUGJDQWNFAK-ZDUSSCGKSA-N 425.876 2.368 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc([C@H]4CCC(=O)N4)c3)C2=O)cc1 1460939518 WRJOJCJDVWRWPT-RTBURBONSA-N 431.452 2.353 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1462008503 AVHJLTSXWPKMGV-MRXNPFEDSA-N 444.582 2.245 30 10 IEEE COc1ccc(C2=NO[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1F 1467410830 GYLQIRRXMWGALB-ZDUSSCGKSA-N 449.435 2.194 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3cccc(Br)c3C2)cc1 1469495179 SFYMAMSBFFTPAO-UHFFFAOYSA-N 449.326 2.395 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478566941 BMTSJNFAUYGEIO-SFHVURJKSA-N 429.521 2.215 30 10 IEEE CS[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1505163576 BTFMINGPLDGHJT-RNODOKPDSA-N 427.509 2.385 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1507554971 BGPHFGKREMEIBZ-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](COC)OC)CC1 1507720274 CGUACTFGUFQQQJ-XLIONFOSSA-N 447.967 2.488 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/c2ccccc2)CC1 1507884095 DRRJYADIAUKMEP-AQDCRGGLSA-N 443.573 2.481 30 10 IEEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507942169 PZKYBWHAYQVKEZ-LJQANCHMSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508078595 ZZGVWOGIHCTHHL-UXHICEINSA-N 425.533 2.194 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1508079841 DVQXMVPOLYAFEC-MOPGFXCFSA-N 448.575 2.352 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC(C)(C)C1 1508090872 IZTOYTWCYPSWEF-OAHLLOKOSA-N 430.578 2.444 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nccn2C(F)F)C1 1508127666 MNLBNOJJMFWUPJ-UXLLHSPISA-N 438.479 2.423 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1508414063 XVGRYTJJBNRIQJ-UONOGXRCSA-N 448.549 2.040 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(-n2cccn2)cc1 1509639299 SMGMQIYAQSHCKY-JOCHJYFZSA-N 436.495 2.287 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCN1CC(F)(F)F 1512403777 AFPDLPZTGQHGEB-HNNXBMFYSA-N 449.481 2.368 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2=O)cn1 1519454354 BDZNPZPADLAWCL-ZDUSSCGKSA-N 437.378 2.291 30 10 IEEE N#Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCCN(CC(F)(F)F)CC2)o1 1521095055 IDIKWWAZXFODRB-UHFFFAOYSA-N 432.410 2.322 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539026332 UISUHOQVEUITIA-IHPCNDPISA-N 427.597 2.485 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1539089031 FHSYUFOCHQZPER-UHFFFAOYSA-N 440.523 2.321 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1 1539245533 HREQUKRCYINFJN-IBGZPJMESA-N 435.528 2.294 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nnc(O)c4ccccc34)n2CCC)n1 1539423809 HJUFSCOEKFQRET-UHFFFAOYSA-N 446.515 2.487 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1539428205 NWTGKZDDONEJHL-NRFANRHFSA-N 430.641 2.468 30 10 IEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539600294 QEEIXAGJEXCXHV-UHFFFAOYSA-N 439.358 2.296 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539630227 DGEWUCUVBVDTKK-UHOSZYNNSA-N 437.610 2.387 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1540878167 PXSSXHMZYCMYNG-QFIPXVFZSA-N 448.527 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2ccc(O)cc2C1 1540902471 KEMCPVFMTPNTPI-LJQANCHMSA-N 432.546 2.389 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540920007 LHRSXZFMQMXTRC-KRWDZBQOSA-N 440.529 2.289 30 10 IEEE CC(=O)N1CCN(CCn2c(COc3ccc(C)cc3)nnc2N(C)[C@H](C)CC#N)CC1 1541006959 HLHCKJRJCREUKO-LJQANCHMSA-N 439.564 2.068 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1541894443 SAWLGWFBOJNSKD-MRXNPFEDSA-N 449.577 2.413 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(F)(F)F 1554617329 RFTSFBAVNSTLOB-OAHLLOKOSA-N 443.451 2.019 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1555003575 CFMSCDVWRKWQIV-KRWDZBQOSA-N 426.374 2.074 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(Br)n2)CCO1 1555995302 OVXWUUFQVPTLSC-MRXNPFEDSA-N 440.305 2.198 30 10 IEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@H](C)COC 1559992656 FERWKWFQNFWTPQ-LJQANCHMSA-N 445.585 2.196 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2(CC1)C[C@@H](O)CNC2=O 1560195868 MWOAAWBGNDSBOE-HUUCEWRRSA-N 430.574 2.179 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)C1=O 1568439930 IJWAQDUNFVEBJB-ACJLOTCBSA-N 434.459 2.490 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)N1CCOCC1 1587667740 MDTHUJXLJSHTHL-LJQANCHMSA-N 425.533 2.181 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cc[nH]n1 1588032326 GMQVEWOXEXUXFV-APWZRJJASA-N 434.880 2.383 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1589054147 YXJSEIYTBCDCTK-QGZVFWFLSA-N 438.557 2.134 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1 1589163002 HBISWOURZTWZMH-HNAYVOBHSA-N 434.338 2.454 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N2CCOCC2)CC1 1594430576 OPTWPGSBIWHJSZ-UHFFFAOYSA-N 441.532 2.127 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1594544917 OLFDZFRPHKSJJH-RBUKOAKNSA-N 438.532 2.478 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cn[nH]c1 1595205283 QGBCQKBCIHKPDH-UHFFFAOYSA-N 426.550 2.382 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)CC1 1595577147 JZXBBMNEDWIQBQ-UHFFFAOYSA-N 438.576 2.451 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)ccc1F 1595856345 FPWUVNYJICVPBB-UHFFFAOYSA-N 427.461 2.445 30 10 IEEE C=CC1(CC(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1607278160 GINZAXKHOFHWKO-UHFFFAOYSA-N 436.549 2.496 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)C1 1607592907 FYLNRCDATQGHQU-UGKGYDQZSA-N 427.528 2.063 30 10 IEEE CC(C)OCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1611084127 ICTOJTFPDLPSOI-LJQANCHMSA-N 435.529 2.105 30 10 IEEE Cc1ncsc1CN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1611865283 ZXEXNXKSEVRWJA-ZPHPHTNESA-N 438.517 2.201 30 10 IEEE Cc1cccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1612250065 DRHWYJVTIVGCLI-DYESRHJHSA-N 446.577 2.406 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613368287 MCTGMFVDGJHAIO-IRULNUBGSA-N 428.537 2.179 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 1622731335 UNWKZZGXIVGMFB-UHFFFAOYSA-N 431.562 2.157 30 10 IEEE O=C(c1ccc2c(c1)COB2O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464432 ZJQHWSWJMJAENI-AOOOYVTPSA-N 429.072 2.147 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ncccc3C#N)CC1)CCS2 1638884678 SBCLVZFHQJXJMK-BATSVXPKSA-N 429.546 2.002 30 10 IEEE CCOc1ccccc1[C@H](CC)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1641148124 BFFSHUWXXAUJLH-NRFANRHFSA-N 438.528 2.218 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC 1641191448 WDFUHKMIAPQAFV-CQSZACIVSA-N 425.507 2.312 30 10 IEEE CN(C)CCN(Cc1ccsc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1642380441 MYOSDJMLVSVWQN-IBGZPJMESA-N 439.541 2.415 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)C1 1644149532 HOSICRDKVADJRH-ICSRJNTNSA-N 447.377 2.251 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC([C@H]4COC(=O)N4)CC3)C2)C1 1648093857 KTCKYNUUKGBSHJ-QNOZYLDQSA-N 432.521 2.120 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](c4cc(C(C)C)[nH]n4)C3)CC2)o1 1654712280 XUODXCTWFRCENL-KRWDZBQOSA-N 425.537 2.229 30 10 IEEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC[C@@H](OC)C1 1659246158 HOWAKHJRSWMGFR-QKYXUNIQSA-N 425.489 2.019 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1ccc(Br)cc1)c1nccn1C 1663225273 CROAQUCYDJPDQC-DOMZBBRYSA-N 426.340 2.340 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1666284496 UTZWIGBCMYIBJG-GOSISDBHSA-N 425.514 2.134 30 10 IEEE CN1CCN(C2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)CC1 1681580430 BLDKFEOFELGWOH-UHFFFAOYSA-N 426.565 2.065 30 10 IEEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCCOC1 1685237832 XQEIRLQFGCDNNW-MGPUTAFESA-N 444.511 2.139 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1689986867 YRFQSGWVYKODIU-OAHLLOKOSA-N 445.495 2.421 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1690003586 RHVNFWGEQQXXGL-DEOSSOPVSA-N 449.511 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC[S@@](=O)C(C)(C)C 1690054455 XZMNPYQJKGHTCU-SSEXGKCCSA-N 445.614 2.280 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2ccc(F)cn2)n1 1690109346 OKKXUVRTFVFSJS-UHFFFAOYSA-N 446.490 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(CC)C1 1690732332 ZZNWTJCMXZORAI-ABSDTBQOSA-N 426.583 2.229 30 10 IEEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1693383480 UARINZDJNOGBSQ-UHFFFAOYSA-N 441.561 2.283 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1695143224 FOKKGWNDLIGTGZ-LJQANCHMSA-N 438.532 2.104 30 10 IEEE CN(C)c1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1696608900 CGFBKGDBLPLQIA-SFHVURJKSA-N 430.516 2.028 30 10 IEEE COc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)cc(OC)c1OC 1697272726 AVTWXROUANJTFH-HNNXBMFYSA-N 442.520 2.070 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697660693 MYCIRPRGCIYYFO-APFMSCDFSA-N 440.479 2.226 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CCO1 1697894219 NPIYSUKPSQXDPA-NHCUHLMSSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1698238602 NEXHUVLSDBWQTE-SXWKCWPCSA-N 441.532 2.316 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1698454029 CSDGVSSXTHCVGV-AWEZNQCLSA-N 444.492 2.067 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705529539 JBLMVRYENROYPA-IBGZPJMESA-N 436.516 2.134 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)nc1 1705553114 UEQRGEYOUGHXJH-UHFFFAOYSA-N 431.548 2.031 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CN(CC(C)C)CCO1 1705587555 ZTPKIFDKXFPMKV-HXUWFJFHSA-N 439.535 2.426 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@@](C)=O)CC1 1705591866 KJGHOUPGAWVJPB-SSEXGKCCSA-N 426.542 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1conc1COC 1705622887 YFXRNMWNBSTEFE-UHFFFAOYSA-N 449.309 2.304 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705691340 VQBFSKPUHQVUDJ-CABCVRRESA-N 444.374 2.091 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCCS(C)(=O)=O)CC1 1705773172 IFCWSEDZCUQRFF-ROUUACIJSA-N 426.583 2.373 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCN(C(C)=O)CC2)CC1 1705783914 ZYHLUIYVBAOWBL-UHFFFAOYSA-N 443.621 2.200 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705800219 RDZPJNOQYBTMMU-UHFFFAOYSA-N 431.585 2.499 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1705856996 MZULOFOVEAXWHW-SBUREZEXSA-N 438.532 2.420 30 10 IEEE C=CCn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705893482 KAEZYHBCHGJCSX-XUZZJYLKSA-N 441.576 2.360 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](COC)C2)cc1 1705911462 IRDDUNWGSMESDI-RTBURBONSA-N 446.573 2.266 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC)c(OC)c2)C1 1705922966 WRHYCLXJAAZTMF-ZWKOTPCHSA-N 441.532 2.466 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1706745797 IDYYRUDNPMPFHP-PGRDOPGGSA-N 448.575 2.422 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1712454267 CZQVVXUWWUBUGK-IBGZPJMESA-N 448.531 2.044 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCCCC1 1712455514 ZXRIGOSSTUCHEU-UHFFFAOYSA-N 430.509 2.067 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nncn1-c1ccccc1 1712529593 AVXTTWZCWNUSCO-HRAATJIYSA-N 440.483 2.073 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(CCc2ccccc2)nnc1N1CCSCC1 1712913003 QKFUYZMZISKLRO-QZQOTICOSA-N 438.557 2.143 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1722293058 BKBAUNWEYOEYNX-WSTZPKSXSA-N 445.589 2.181 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1722372789 FFUPFTJEUWCTLZ-OALUTQOASA-N 448.527 2.096 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722374306 WYZQDCCPCOLFLN-RRFJBIMHSA-N 431.484 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1722389510 JEFIRNQQPPRNQM-CQSZACIVSA-N 439.994 2.309 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722425320 VCYQSMJDNJQFAU-QGZVFWFLSA-N 441.536 2.221 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCn2ccnc2C)CC1 1722443169 OJZILVMXRNAYTN-UHFFFAOYSA-N 435.532 2.408 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722463018 VUKMEHWEVBJJJS-HZPDHXFCSA-N 433.603 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1722697069 FKGGRWQWYZUUCH-IBGZPJMESA-N 436.516 2.380 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1722700918 ZBSBFTWOALEDJB-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCn3ccnc3C2)C1 1722708977 HLGPDWNIUGCSOR-HKUYNNGSSA-N 441.580 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1722729198 XXMGKFOBZJQPDG-RTBURBONSA-N 446.573 2.288 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC=CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723027307 SOSCUYUFLKNCLP-JLDAIOPHSA-N 440.548 2.489 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)NCc1ccco1 1727603702 ZBXKAUSAQYXMTG-UHFFFAOYSA-N 437.479 2.087 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1731188441 FRUNWBRCYDMKOC-AWEZNQCLSA-N 433.394 2.386 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)(F)F 1740536439 GULMSWPCIMZSNR-VIFPVBQESA-N 433.232 2.172 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1740547741 AJCUEVZHDGQIRH-SJLPKXTDSA-N 443.552 2.021 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740586484 CFRZVEDCLBRJKX-KRWDZBQOSA-N 442.541 2.002 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCN(C(C)=O)CC1 1740600663 MWIBMIOWPNSVOX-HXUWFJFHSA-N 438.576 2.268 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740790663 USRDEPGWULDRST-QHCPKHFHSA-N 441.532 2.414 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCCC2)C1 1740969714 ALNPYTPYCKERCE-MOPGFXCFSA-N 439.564 2.439 30 10 IEEE Cc1noc(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1742882055 DTTUIRYJLYZAGS-ZDUSSCGKSA-N 432.282 2.418 30 10 IEEE CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1743447636 QXJLOOQNLUITIL-GHTZIAJQSA-N 425.493 2.191 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1748697091 CQUCRYVTUMECIJ-SFHVURJKSA-N 435.532 2.320 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748702443 IBZZBCQDSGFQEL-UHFFFAOYSA-N 447.543 2.194 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748703128 KLUKFBHGRCWKNI-UHFFFAOYSA-N 433.516 2.344 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(S(C)(=O)=O)CC1 1748834940 YNZJJGGLOFLIFZ-UHFFFAOYSA-N 432.933 2.257 30 10 IEEE COc1ccc(F)cc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748846378 LPYIFVKWAWYCBQ-PGRDOPGGSA-N 445.495 2.243 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1748993829 NYQYXLKEBMSIGL-HSZRJFAPSA-N 435.620 2.387 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749236051 ZVMMMBZJXUUBCX-KRWDZBQOSA-N 446.577 2.336 30 10 IEEE C=CCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749439657 FZGVEYRLAKWMJZ-NZQKXSOJSA-N 433.597 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)OC 1749725243 QBRDXTBWWZMYKQ-UHFFFAOYSA-N 433.303 2.445 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1750034854 VPZPVYUVFSKELU-DYVFJYSZSA-N 436.438 2.499 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CC2)C[C@H]1OC 1750190024 GYLIIXBQKYZNTA-HDICACEKSA-N 429.546 2.474 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CCS1 1750682446 FMPNSUUUOPQPRQ-SFHVURJKSA-N 438.561 2.483 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1C 1751551973 FYWJWGJSTRRESD-AEFFLSMTSA-N 439.520 2.201 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188943 RNXRRDUVRTYFPA-UYAOXDASSA-N 446.548 2.181 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCOCC1 1760224398 JHFLNMWHMGCIGX-GOSISDBHSA-N 442.589 2.109 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1760336568 CAYXIVQIEUHIDO-SFHVURJKSA-N 441.561 2.212 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760357113 DYKJATFYOYDZTB-WOJBJXKFSA-N 430.553 2.093 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760429676 MGWGZSPCGRFGBA-INIZCTEOSA-N 428.562 2.437 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760524782 JGNRXCBZKVLLNI-HOTGVXAUSA-N 432.519 2.368 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccco2)C1 1760556553 HYISEUIJRUXMCK-IBGZPJMESA-N 443.529 2.036 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760559912 VPPUFLMIVABTMY-UHFFFAOYSA-N 436.626 2.419 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C[C@H]1CCOC1)C1CC1 1760565981 IUHHTAHIJYDMIG-HZPDHXFCSA-N 426.608 2.105 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1761359929 CMAUSYQUBFTKDK-GHTZIAJQSA-N 446.559 2.478 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC(=O)N1C 1763179329 URDSTWFBVACOCN-APWZRJJASA-N 438.532 2.211 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1763297866 XLDMNGYZWMIDLM-OALUTQOASA-N 449.559 2.226 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1765698380 FYEVVWZSYHIKPV-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE N#Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCNC(=O)C2)o1 1770740099 JAYIPKVTEPDWLX-UHFFFAOYSA-N 445.252 2.296 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC(F)F)CCO1 1771535815 AAOMKECGIBWIAG-GFCCVEGCSA-N 445.268 2.436 30 10 IEEE CN(C)C(=O)[C@H]1C[C@H](OC(=O)c2cnc3c(c2)c(C#N)cn3C)CN1C(=O)OC(C)(C)C 1852150971 UKSUQVXNEIWOOQ-DOTOQJQBSA-N 441.488 2.068 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cnc2c1C#N 1852328175 BXHDDMCRVBCDLV-UHFFFAOYSA-N 427.468 2.297 30 10 IEEE C=CCN1C[C@@H](C(=O)OCc2c(Br)c(=O)n(-c3ccccc3)n2C)CC1=O 1852651563 OVTSJBUKNYXAFT-ZDUSSCGKSA-N 434.290 2.016 30 10 IEEE N#Cc1cccc(OCC2CCN([C@H]3CCCN(C(=O)[C@@H]4CCCS4)C3=O)CC2)n1 1854439921 RRFMOZXGWZSTFL-OALUTQOASA-N 428.558 2.457 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cn(C)nc1C 1856996377 YFUIIEFVCYVOLV-MRXNPFEDSA-N 428.514 2.187 30 10 IEEE COCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)c3ccc(CC#N)cc3)ccc21 1857130264 MIBZYALTUVATLQ-UHFFFAOYSA-N 427.482 2.030 30 10 IEEE CCOC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3cccc(C#N)c3)n3ccccc23)CC1 1858241974 MPLAQNDDMVYVLF-UHFFFAOYSA-N 446.467 2.373 30 10 IEEE CN1CCCc2cc([C@@H]3C(C(=O)c4cccc(O)c4)=C(O)C(=O)N3CCCNC=O)ccc21 1862600146 JXISUFMIKLELRV-JOCHJYFZSA-N 449.507 2.489 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870002348 KYGYHSOZUBXEBX-MRXNPFEDSA-N 435.937 2.144 30 10 IEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1 1870158309 RBSZTEWJAZKCHT-UHFFFAOYSA-N 430.424 2.496 30 10 IEEE CN(C)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nnnn1C 1870232595 AKFQWNOELBJZKE-UHFFFAOYSA-N 439.545 2.066 30 10 IEEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(CC)CCO 1870590107 RGLWKKBHVLFZBS-UHFFFAOYSA-N 445.472 2.202 30 10 IEEE COc1cc(/C=N/n2c(CCc3ccccc3OC)nnc2SCC(N)=O)ccc1O 1874313527 YUOOQJWWPHOFIE-FSJBWODESA-N 441.513 2.246 30 10 IEEE C#CCCOCC(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1994794301 UWDZDFQNPVVPHD-UHFFFAOYSA-N 427.542 2.341 30 10 IEEE CC[C@@](C#N)(Cn1c(C)nc(I)c1I)NC 1995387350 WRXOFZUOQHHJGW-SNVBAGLBSA-N 444.058 2.293 30 10 IEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21)B1OC(C)(C)C(C)(C)O1 2243435710 VRBVQKVCWXNFMO-HUUCEWRRSA-N 428.360 2.197 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)C1 2247551224 CUXBBSSWVKACRW-QWHDWNGZSA-N 431.455 2.209 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247908181 OTHXGYKQBDATGP-UHFFFAOYSA-N 437.371 2.381 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2255538193 HGVPAYKKSQCOKU-QLPKVWCKSA-N 432.326 2.482 30 10 IEEE Cn1nc(C(=O)N(Cc2ccccc2)C2(CO)CCC2)cc1B1OC(C)(C)C(C)(C)O1 2255625162 NJXQUVDJEUNJEL-UHFFFAOYSA-N 425.338 2.277 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255701445 RFTRIRWUTQBLJY-MRXNPFEDSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2255790345 WLZWWWPXTAWSPG-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE CO[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2256021373 IAQDIQQDGURQMJ-ZWKOTPCHSA-N 433.358 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCc1ncc(B3OC(C)(C)C(C)(C)O3)s1)C2 2256612984 HLKMLWANVNSYAO-UHFFFAOYSA-N 449.382 2.458 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCCN1C(=O)OC(C)(C)C 2267123516 UYNGWOXXCNBSMS-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC1(C)C 2267495351 LHTMXKXWWQHSIH-CQSZACIVSA-N 448.373 2.237 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267514564 BAYQZIWOMSVYJF-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cc1c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529172 XSWQETMCVIRNFW-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE N#Cc1c(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)sc2c1CCC2 2286038812 DUSPQWIIXFURQE-HNNXBMFYSA-N 449.510 2.230 30 10 IEEE CC(C)(C)OC(=O)NC[C@@](C(=O)O)(C1CC1)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2305243814 HMCPTXOTNQQTNZ-XXBNENTESA-N 428.533 2.454 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccc(O)c2)cc1OC 2326195211 NQSXWBZBUOAFQV-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc2c(c1)OCCO2 2329727599 AEUYYECFLOHEJX-UHFFFAOYSA-N 427.461 2.239 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)C#CC2(S(C)(=O)=O)CCC2)C1 2367839030 JNGKGLCVGOGJPW-WIYYLYMNSA-N 433.526 2.342 30 10 IEEE CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295176 PXQAMZRYVPKALR-FQEVSTJZSA-N 442.541 2.290 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1 72472374 CNSXHZYHQPJZIS-QAPCUYQASA-N 429.436 2.377 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 109940634 NDURXZLCXURLAB-HXUWFJFHSA-N 445.504 2.322 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[C@H]3CCCC[C@@H]3O)CC2)cc1 433264489 ZTPTYMZLGCZXKH-NQIIRXRSSA-N 433.574 2.406 30 10 IEEE CC(C)(COCc1ccccc1)NC(=O)NCCN1CCN(c2ncccc2C#N)CC1 440701274 KAFRNHPBSDZNPN-UHFFFAOYSA-N 436.560 2.370 30 10 IEEE CSCC[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 460272040 UGSWEQYMSKDORW-CEXWTWQISA-N 429.542 2.350 30 10 IEEE N#Cc1ccc(CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)C2CC2)cc1 460898092 QIXIJDXGAMNGLL-UYAOXDASSA-N 441.557 2.400 30 10 IEEE C=CCc1cc(CNC(=O)N2CCN(c3cc(OC)ncn3)CC2)cc(OC)c1OC 462001256 DOTHEWYBGWSSQQ-UHFFFAOYSA-N 427.505 2.263 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(C(C)=O)C[C@@H]2C)cc1[N+](=O)[O-] 478938996 QDKPZEGJANTKMJ-AWEZNQCLSA-N 440.460 2.073 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCCNC(=O)c2cccc(Br)c2)c(F)c1 481067924 FKDONWUFHFJWAN-UHFFFAOYSA-N 440.294 2.309 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)cc1C#N 489829011 KEENMDKIRSZSQB-MRXNPFEDSA-N 440.403 2.022 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)CC1 492304463 HFHCUKQEYYLWIH-UHFFFAOYSA-N 446.349 2.003 30 10 IEEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)cc1C 503608901 IGFPTOPDHHHNRX-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 504451087 OUEYJTFPXGQLJK-IERDGZPVSA-N 444.495 2.151 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 508497732 NFHJTZNMSMXCBP-UHFFFAOYSA-N 437.504 2.177 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)C2=O)cc1 508653192 KAVZLOMKVCDBEU-SFTDATJTSA-N 431.496 2.326 30 10 IEEE CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513789551 KFDFIWNXQGBCPJ-NRFANRHFSA-N 427.482 2.198 30 10 IEEE CC(C)CN1CCO[C@@H](CNC(=O)CNc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 543862980 BEMKZIWPRNYDKH-KRWDZBQOSA-N 430.940 2.282 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCC3)c2=O)cc1[N+](=O)[O-] 555705082 APGKAJZQRLYOEC-UHFFFAOYSA-N 439.493 2.424 30 10 IEEE C[C@]1(C2CC2)NC(=O)N(c2cccc(CNS(=O)(=O)CC3(C#N)CCCC3)c2)C1=O 556391251 ALKFRKQKOGTAIF-HXUWFJFHSA-N 430.530 2.415 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 571710006 BTKDZHMEWVBPTP-UHFFFAOYSA-N 426.336 2.344 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1Cc1ccccc1 572329775 NXVDSXVYZUGBTC-UHFFFAOYSA-N 441.965 2.455 30 10 IEEE COc1cc2c(cc1OC)[C@H](CC(=O)O)N(S(=O)(=O)c1cnc(C)c(C#N)c1)CC2 584506021 OKNVGOBTZUQWQC-KRWDZBQOSA-N 431.470 2.042 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](Cc1nccn1C)c1ccccc1 610698182 NJRBCANJEXZTQD-PKOBYXMFSA-N 430.516 2.286 30 10 IEEE Cn1cc([C@@H](NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C(F)(F)F)cn1 618557515 TZCSUTJBNFOWEI-IEBWSBKVSA-N 438.429 2.161 30 10 IEEE CCn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@@H]1CCCO1)CC2 619850951 HMMUAIYZXLFLGF-IBGZPJMESA-N 431.500 2.135 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cscn2)C1=O 730139824 SFVUAZJJHQSOQE-QGZVFWFLSA-N 442.570 2.214 30 10 IEEE C[C@@H]1CCCN(c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2[N+](=O)[O-])C1 732157186 XPYIIRVDAMZQMB-HFGXJBEUSA-N 427.461 2.087 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@]1(C)CCOC1 733078070 SJPXCDOIGPZDHE-AVRDEDQJSA-N 448.589 2.121 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F)C(C)C 744429853 RANYOKAFJAVZCK-ROUUACIJSA-N 438.569 2.496 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(C[C@@H]3CCCO3)c2=O)s1 752195697 ZYFSKJNNKAMYJJ-KGLIPLIRSA-N 431.583 2.226 30 10 IEEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4ccc(C#N)cc4F)CC3)C2=O)C(C)(C)O1 764966164 YEZPPHNPCXVMQI-JOCHJYFZSA-N 429.496 2.045 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccn(C)n2)C1=O 765545883 TZZIDCFDVIISKI-KRWDZBQOSA-N 448.980 2.273 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(CC(F)(F)F)c2ccccc21)c1cc[nH]n1 772337646 IPWBNRWNYOWVFI-UHFFFAOYSA-N 439.394 2.109 30 10 IEEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)nn2C)c1=O 782637350 RNYJKADSRFHQAR-UHFFFAOYSA-N 449.374 2.078 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)CCCC1 786294913 DWHJSNVYPATOEN-KRWDZBQOSA-N 443.548 2.354 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCCCC(F)(F)F 794673499 RUSIPNBWXIJJCI-UHFFFAOYSA-N 427.448 2.265 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H]2C[C@H]2C2CC2)C1=O 797425535 KPZADMPCHJZCFK-QXAKKESOSA-N 425.558 2.356 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 812190005 OHACVKBBZQOQPX-SFHVURJKSA-N 448.568 2.221 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 812939481 YBQJYBXGLJOEFM-HXUWFJFHSA-N 426.473 2.088 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C3CCC3)c2=O)cn1 814253234 UPXMCMKCRMHOSU-UHFFFAOYSA-N 447.564 2.407 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 858078995 WZPVCZQMPSTEGQ-DNVCBOLYSA-N 440.525 2.177 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)ccc1C 916178339 SUIKCKOFODITNN-UHFFFAOYSA-N 449.554 2.157 30 10 IEEE N#Cc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)c1 1134685344 UBIFRTWRMWEODO-INIZCTEOSA-N 431.233 2.476 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)C1=O 1139676782 IOBUOJRRTIFAOU-SFHVURJKSA-N 444.941 2.454 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1)C(C)C 1144204250 LQLLDRZEUJBCAH-GOSISDBHSA-N 432.569 2.498 30 10 IEEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1163651939 GCCPJVLRADMJQN-GOSISDBHSA-N 438.440 2.404 30 10 IEEE N#CC1(C[C@H](O)CN2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 1168331252 ATYVQXBKCLQGRC-ZDUSSCGKSA-N 448.408 2.262 30 10 IEEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 1248525634 SUCOXQDAFNELEB-DVOMOZLQSA-N 430.534 2.310 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1CCN(CCCOCC(F)(F)F)CC1 1254960072 WLKLMLWUERYEDZ-UHFFFAOYSA-N 431.324 2.454 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286284478 CUPHMHYGKNKBGX-GOSISDBHSA-N 431.544 2.450 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286317494 GNSNCKVMFDRUBQ-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286705246 VSEKXARZKISFCH-GJZGRUSLSA-N 431.459 2.263 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286779323 GMSCBHDPKCZPDY-UHFFFAOYSA-N 449.902 2.436 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC=C(c2ccccc2)C1 1286819219 DKPJEAQVZLCXOE-LJQANCHMSA-N 441.557 2.124 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1286967496 FBZYCVJXLCHECV-QZTJIDSGSA-N 425.537 2.048 30 10 IEEE CC(C)NC(=O)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286971584 KCNMMZARLQJWQM-OAGGEKHMSA-N 433.557 2.169 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1287138308 HDEHHRIDODAJFL-QGZVFWFLSA-N 432.912 2.011 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1288389761 OYKTUTQCJDXVBX-IBGZPJMESA-N 447.561 2.167 30 10 IEEE C#CCN(CC(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1)C(=O)OC(C)(C)C 1296538126 OSWIPUHQOPTLMN-UHFFFAOYSA-N 428.533 2.160 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)Nc3ccc(-n4cncn4)cc3)n[nH]2)c1C 1298821690 ORCBQQFEUXVSOE-UHFFFAOYSA-N 445.487 2.025 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCN1C(=O)c2ccccc2C1=O 1299763859 PKAVOVLUVJFYMO-SFHVURJKSA-N 427.501 2.438 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1300282716 PLIOJYGTAPIDJB-VGOFRKELSA-N 442.495 2.222 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1300298406 BWEKXTOIDPMZRX-WIYYLYMNSA-N 431.544 2.198 30 10 IEEE COc1ccc(OCCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1300304239 GODSJFXPTWOHHU-KRWDZBQOSA-N 448.531 2.441 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(CC)C2)c1 1300333941 GPBZDAWGVYPNAV-WOJBJXKFSA-N 436.560 2.180 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1300382642 YBKPKBPWZHCSKS-QGZVFWFLSA-N 430.553 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCS2)CC1 1300724632 AIVIZGUUXUCCOA-OALUTQOASA-N 431.606 2.424 30 10 IEEE C#CCSCCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300778317 SEQPXZDJABFRSJ-AVRDEDQJSA-N 444.605 2.413 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(C)C)C(=O)C1 1300830335 FNEOTHIPYFUGEE-HNNXBMFYSA-N 444.374 2.215 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1300991030 ZXJJFNFIJJNDDX-HXUWFJFHSA-N 437.548 2.358 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1c(C)noc1C 1301492618 LIBXCEIKMDUEBL-UHFFFAOYSA-N 438.488 2.260 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 1301954413 GCUHLQLFYOKVPX-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1302487970 MOCPNOSJXJZFQC-RDTXWAMCSA-N 437.342 2.182 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)CCCCC1 1320177818 MSHBGAXJJXKYRR-UHFFFAOYSA-N 439.578 2.106 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)c([N+](=O)[O-])c1 1353983955 SBLGPUUEOZQFLY-FQEVSTJZSA-N 432.502 2.121 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964381 YGDPVRLYWCKNOT-WOJBJXKFSA-N 435.638 2.225 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@H]2CCOC2)cn1 1359021455 PHFWQIFIRIKYQC-NRFANRHFSA-N 445.527 2.303 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OC)c(OC)c1 1359023449 KYVPDCQQEAPDPL-MRXNPFEDSA-N 447.923 2.034 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@H]2CF)CC1 1359041827 JXJCFUXNTPGPLR-FUHWJXTLSA-N 426.452 2.350 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CC(=O)NC)CC1 1359293193 JYUCBLLLCHSJSP-FQEVSTJZSA-N 438.576 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359330965 IIKSWYXECYSHDQ-HXUWFJFHSA-N 429.590 2.467 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCO1 1360370319 JAOASLSSZHRHDV-NFBKMPQASA-N 441.532 2.252 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3CC#N)CC2)cc1 1440572487 ARQMAGMVQATBAA-UHFFFAOYSA-N 441.509 2.076 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 1440736357 GDHPNUIFNGOBKD-UHFFFAOYSA-N 429.473 2.158 30 10 IEEE Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)cn1 1442713560 HZHMCUGNYAPEAW-UHFFFAOYSA-N 430.306 2.336 30 10 IEEE N#CCc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1466577314 HINGVWPRYRDBSR-UHFFFAOYSA-N 442.497 2.062 30 10 IEEE COc1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1OCC(=O)NC(C)C 1469871424 AKFQLXFQPDRPKM-LJQANCHMSA-N 425.485 2.276 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(n2nncc2I)CC1 1470007224 IPTKDFHWCXZCRO-DOMZBBRYSA-N 445.305 2.210 30 10 IEEE CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1474815749 FAKWVKROXQRMHV-UHFFFAOYSA-N 432.315 2.339 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc23)CC1 1478500721 LAIRLPGCNYJGKW-HNNXBMFYSA-N 434.949 2.349 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(Cl)cc1 1478896710 PGQLBOPVHTZSRB-FQEVSTJZSA-N 446.960 2.376 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1501222922 BXILENIOOMANQR-YCRPNKLZSA-N 449.531 2.318 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1OC 1502803590 ASORCUUAVFVJKG-YDFBLROQSA-N 445.495 2.334 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1)OC 1504594679 HMSZHACOCCLORI-NFBKMPQASA-N 441.532 2.397 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1cccc(Br)n1 1504887525 XPAIVNGHPYCKFJ-UHFFFAOYSA-N 445.325 2.251 30 10 IEEE COCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1505046904 KKBMUDLMTQENQX-LBPRGKRZSA-N 442.339 2.161 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CCCN2CCOCC2)CC1 1507593209 LKWVFXNZFAXTMY-UHFFFAOYSA-N 442.608 2.143 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635019 OZAPEJMVBGYPIP-LPHOPBHVSA-N 447.630 2.040 30 10 IEEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1507693556 CQDWTQYOCYJGHW-DQRAZIAOSA-N 434.500 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccccc1Cl 1507710107 ISHXDTDVYOXIKO-NRFANRHFSA-N 426.908 2.382 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1507981851 KXWDXIWEGIXYMG-QGZVFWFLSA-N 447.586 2.496 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1518872380 GGZMEPLMXYUIIN-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1c2ccccc2C[C@H]1C 1519322782 BSWRMNSUNBPIBM-QWFCFKBJSA-N 440.548 2.182 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1526524762 SEXDNXUZDHPPFK-UHFFFAOYSA-N 431.378 2.374 30 10 IEEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)no1 1527431193 PODWKDZXUMUCMO-OQKWZONESA-N 434.474 2.307 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1539095674 JCXBUARQGDDDIH-IBGZPJMESA-N 427.553 2.149 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC(F)(F)F 1539155495 WHLIYMBSIXFGIP-UHFFFAOYSA-N 445.467 2.191 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(C(=O)OC)CC1 1539251421 GEKFOUMPTNMNTH-UHFFFAOYSA-N 435.484 2.225 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1539722577 FOKLVAIOPKVUFZ-HKUYNNGSSA-N 432.569 2.305 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1539743784 RBAHRASQUIIXOZ-UHFFFAOYSA-N 436.564 2.379 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCCC)CC1 1539828437 KETLQKBZWQWUBV-INIZCTEOSA-N 434.566 2.277 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1539948249 VQHXJUWFWRPXKI-PMACEKPBSA-N 430.597 2.417 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540033973 SNOBEYXQYHONBQ-IBGZPJMESA-N 444.580 2.193 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 1540901127 UBHXNLOEYDROAE-AWEZNQCLSA-N 438.937 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1540902025 YCVCNUMYUFCFJL-QGZVFWFLSA-N 447.590 2.386 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCS[C@@H](C(C)C)C1 1540905476 WNTHMOYYSPWMEN-GOSISDBHSA-N 435.619 2.443 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1540917364 ULROXRYXFMZLLZ-IRXDYDNUSA-N 428.624 2.351 30 10 IEEE CC(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541304460 BTCPAADLFJWYPM-FXAWDEMLSA-N 428.512 2.170 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)c1 1543911910 ZYINQNWIAHEFOO-UHFFFAOYSA-N 436.493 2.041 30 10 IEEE CCN(CC)C(=O)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1547410665 FNYMWPOWTYUPSF-LJQANCHMSA-N 428.512 2.385 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1554607352 GKAXISBJYFELJR-MRXNPFEDSA-N 426.521 2.116 30 10 IEEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)C1CCOCC1 1565106279 QFYZXJGWVJVEPV-SFHVURJKSA-N 434.334 2.231 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccc(F)cc2F)c2nccn2C)n1 1565450685 MPWUTCAIMLUTQX-HXUWFJFHSA-N 442.470 2.476 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1570674732 FSVOMOINWSKGTB-OAHLLOKOSA-N 430.486 2.082 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)cc1 1585446436 TXYJJLNLYQRCGZ-QGZVFWFLSA-N 426.454 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(CC)C1 1587663285 WHRFZSYBAFGUTM-GOTSBHOMSA-N 449.647 2.443 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCS2)c1 1587683154 COELNMWIWMGLES-GOSISDBHSA-N 440.573 2.368 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C 1589556243 BABUVXBEVBCYPE-XMSQKQJNSA-N 441.580 2.368 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1595517277 VQVQGJKFHCEPON-LJQANCHMSA-N 449.559 2.108 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)C[C@H]1CS(=O)(=O)C2 1611165117 MBUIVYXYFIVJDX-GTNSWQLSSA-N 425.388 2.371 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1611308305 NUYJEIDGDNRPJA-VJANTYMQSA-N 444.559 2.257 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCCCCCO 1612885609 VXHVGXGPGCYVSC-GOSISDBHSA-N 449.563 2.213 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1615336887 HVUCSJSDLCNLHR-QGZVFWFLSA-N 425.537 2.435 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCCCC2)CCOC1 1616264244 WLFLBPVQFKLJIX-UGKGYDQZSA-N 433.553 2.398 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@H]([C@H]2CCCO2)C1 1617304795 ALBZKCAZGDVGEB-YZGWKJHDSA-N 448.541 2.337 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1624877455 XNMZXCWGAPJCAU-KRWDZBQOSA-N 425.551 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1625335333 CCCHQAPKXYFPNK-RBUKOAKNSA-N 437.500 2.464 30 10 IEEE COCCOc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1625752466 ULVFACMRDFDKTH-MRXNPFEDSA-N 428.876 2.301 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)c1 1627466624 BSWQOJGLYHFLAA-UHFFFAOYSA-N 436.493 2.038 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3c[nH]nc3I)CC2)c1 1628142548 XBGSGEXKVNYLTJ-UHFFFAOYSA-N 435.269 2.280 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)c1ccccc1 1630915127 ZWSOEJAASNXVBF-RBUKOAKNSA-N 432.929 2.364 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 1632795962 FEEKIGUFHNLTGO-UHFFFAOYSA-N 444.801 2.390 30 10 IEEE C#CCN1CCC(C(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1634862354 ACQKODAOIKOQKS-SZPZYZBQSA-N 444.620 2.406 30 10 IEEE CC1=C(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)Cn2nnnc2N1C 1636463952 QYYHXNDOFJPWCA-DTORHVGOSA-N 446.302 2.026 30 10 IEEE O=C(NCc1ccc(C(=O)NO)cc1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 1639590945 FYJTYANUYGNCKR-CPNJWEJPSA-N 430.424 2.367 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 1640916064 IXUVEJOLARZSNL-QFIPXVFZSA-N 441.553 2.467 30 10 IEEE C[C@@H](CN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1642487628 HNVRIDSZRDGDIU-YOEHRIQHSA-N 428.489 2.199 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1[C@H](O)c1ccccc1 1644025463 GVKCWVDQBCEGIE-ORYQWCPZSA-N 427.526 2.340 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCc3ccccc3S(C)(=O)=O)n[nH]2)c1C 1644328388 OKLICTGODIQPSS-UHFFFAOYSA-N 427.530 2.452 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1644785423 LSYFDQKEFLNERB-WOJBJXKFSA-N 435.952 2.243 30 10 IEEE CCCCCCN(O)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1649057073 PIIWLIKMDPQWBY-UHFFFAOYSA-N 430.523 2.136 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)c1 1652505407 VRJANAKQIWSULY-KRWDZBQOSA-N 426.416 2.080 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1C 1654223325 ZOQZYDWZADTLJR-IAGOWNOFSA-N 431.480 2.457 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 1667807229 IFGJUTVGARZNSU-UHFFFAOYSA-N 439.541 2.375 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OC 1671562208 VIMUXOMZSMPXJR-AWEZNQCLSA-N 432.926 2.227 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCn4nc(C(F)(F)F)cc4C3)C2=O)cc1 1672359087 YMIJVTLPBLYLLY-INIZCTEOSA-N 432.406 2.100 30 10 IEEE C#Cc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 1683190363 VGROLIFPJHYDMG-HXUWFJFHSA-N 427.526 2.125 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCO[C@H](C)C1 1690017666 IZSWZYFRJZWKQJ-UXHICEINSA-N 433.560 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1CC1CN(C(=O)OC(C)(C)C)C1 1690032956 NBNYOILLZLDGMY-GOSISDBHSA-N 445.564 2.332 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1690102328 IIJXFMKNPTUXPX-CEXWTWQISA-N 430.597 2.072 30 10 IEEE C#CCSCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690186448 QJANPPDZBPSHSF-JOCHJYFZSA-N 449.621 2.038 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690450081 ZOSSPARLLITDSE-HNNXBMFYSA-N 442.486 2.375 30 10 IEEE C=CCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690653393 ORVAXPBMTMOMAG-JOCHJYFZSA-N 432.569 2.233 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690676396 YQXPUELDQUMGHT-YLJYHZDGSA-N 425.533 2.471 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1697962416 QWLYBQAKNIQHTI-FDDCHVKYSA-N 438.532 2.070 30 10 IEEE CSC1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1698366985 LGRJWUAKBGPPGS-MRXNPFEDSA-N 434.591 2.275 30 10 IEEE C#CCCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705539702 ZAIMWCHWWBQQMQ-YZUZCNPQSA-N 445.608 2.279 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705581929 OUGWIZBUWWJFNG-FQEVSTJZSA-N 442.541 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705599375 YCSZIMMPSWTOJU-PKTZIBPZSA-N 446.599 2.456 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 1705629697 RQBUXWQHDCIVOX-UHFFFAOYSA-N 438.919 2.151 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1705674750 PXVPEVYNUZXRRO-PGRDOPGGSA-N 433.622 2.294 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705779876 AIECQVOZHHCQCZ-WMZOPIPTSA-N 438.642 2.411 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C[C@H]1CCOC1)C1CC1 1705896593 RKUASNAAVRQXTF-OAHLLOKOSA-N 426.477 2.161 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1705910190 UPYBUMFFDZTTCO-QGZVFWFLSA-N 427.505 2.029 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nnc(C)s2)C1 1705916709 MWQNPGJFQOBBOR-UZLBHIALSA-N 434.566 2.308 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCS1 1706952661 ZYGDBJISMPIYKF-UHFFFAOYSA-N 449.602 2.210 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722335811 PIVIYMSYMGMUTJ-QZTJIDSGSA-N 445.564 2.394 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1722351197 GZLLDCFDQMXERT-HRAATJIYSA-N 435.594 2.330 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc2c(c1)OCCO2 1722387062 FRSOVXBTULAFRW-UGKGYDQZSA-N 436.512 2.089 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1722432887 IDTAMOLZCATYNZ-ZTCOLXNVSA-N 445.608 2.422 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OCC)C1 1722455440 TYFUDSDMTKEBBB-LJQANCHMSA-N 438.561 2.293 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(C)C)CC1 1722695039 QAMCPTBGYIOFMR-UHFFFAOYSA-N 442.564 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1722698082 UDOJMVLDDYQMMJ-UHFFFAOYSA-N 434.544 2.397 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722706201 NFMSGBRIYNLXAU-QZTJIDSGSA-N 441.532 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC2CC2)CC1 1722728707 XHAJKADOJWOPSC-GOSISDBHSA-N 438.594 2.168 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722736951 NSPAZUQCKPKKCF-QGZVFWFLSA-N 428.562 2.486 30 10 IEEE CCc1nnc(N(CCC#N)CCOC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1727525099 SEUPUTACAKDMJN-OKZBNKHCSA-N 448.568 2.231 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1728556807 YJSVCLIYYUPSKF-NFNQWWKFSA-N 441.580 2.381 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1729339703 NMIDPIBNNLEQAL-OAQYLSRUSA-N 434.548 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2nccs2)c1 1740562156 HCTSJQFLULDMTG-UHFFFAOYSA-N 446.540 2.434 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCS(=O)(=O)c1ccccc1 1740652712 KSCLOJDRKFDTQI-UHFFFAOYSA-N 434.525 2.062 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1740688832 VKTZKCIHPVEXFP-UHFFFAOYSA-N 438.576 2.377 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740710556 ZFIZMQMHDMISEC-SSEXGKCCSA-N 445.614 2.254 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740718778 ATPRLTXPHNEPNB-SJLPKXTDSA-N 448.976 2.249 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](COC)C1 1740720266 ZJJLCMNISKMHTK-HKUYNNGSSA-N 430.574 2.484 30 10 IEEE C=C(Br)Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740749639 AYQOWMWTEBHSRW-CRAIPNDOSA-N 445.358 2.079 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)C(=O)NC 1740757361 VIBJUQWJDZQNIH-VPWXQRGCSA-N 441.532 2.473 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Br)cn1 1740897412 GKOKFRZNFHSMGG-UHFFFAOYSA-N 434.298 2.287 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CCc2cccs2)CC1 1740991010 MCXSQBDZMJQDHZ-UHFFFAOYSA-N 435.619 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCCCC[C@@H]21 1740995035 YDPOSWYIBJUIHZ-MSOLQXFVSA-N 435.594 2.160 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1OC 1748684966 RTEMUJQJYCLLFT-MRXNPFEDSA-N 441.532 2.127 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748811332 DXYKARLKHIMRPE-MOPGFXCFSA-N 443.573 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748812323 SNHFZOUOIFBUMH-SCTDSRPQSA-N 431.562 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1748892522 QFSRXSPTJKYEJJ-QFIPXVFZSA-N 449.555 2.364 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2C)CC1 1749000387 UVEHAJIUBBOLRD-OALUTQOASA-N 427.524 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](OCC)C(C)C)CC1 1749014402 IQRINUQXDQEWPO-UXHICEINSA-N 431.581 2.199 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1749024456 QXIBWZAPQVHZAP-QFIPXVFZSA-N 444.557 2.324 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCOCC1 1749223646 VWTXNLIHIMQFOS-UHFFFAOYSA-N 438.532 2.494 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1749231087 CRXIUTHKTYTDHC-UHFFFAOYSA-N 439.568 2.224 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749235386 QEUTWAACSFIFDI-QHCPKHFHSA-N 443.596 2.033 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749240014 SCJRQDGKAPTINV-OALUTQOASA-N 439.472 2.436 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1749560546 QCHXTAYKJIRPDQ-MRXNPFEDSA-N 431.562 2.188 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1NC(=O)CC1(C)C 1749586395 SYSNROJPKWZBOX-GOSISDBHSA-N 440.548 2.257 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1749706640 QPYJNFOOQAKKGD-OTWHNJEPSA-N 441.580 2.404 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCC(=O)NC2CCCCC2)c1 1750381762 DFYDNUFLKZZDSL-UHFFFAOYSA-N 440.573 2.224 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCN(C)C)CCOC1 1751023371 SYJGZXXXXNAJFQ-FCHUYYIVSA-N 434.585 2.027 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1760145371 NSSICNCALNXVMI-QAPCUYQASA-N 435.525 2.019 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)[C@H](C)CC 1760165380 QEOZBDMJLIVCKU-VFNWGFHPSA-N 432.594 2.413 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(C)(=O)=O 1760197931 QHBPTMNHJXCVND-UHFFFAOYSA-N 435.347 2.133 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1760219124 VOYIGSGBCOCESZ-MRXNPFEDSA-N 446.960 2.353 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2OC)CC1 1760260874 GBWLCVUNWYKYEU-UHFFFAOYSA-N 433.560 2.146 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CC=CCC2)CC1 1760262060 YMSRVCONSVLWLA-UHFFFAOYSA-N 434.588 2.491 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1760277535 NWBGNVBXKXOWGD-QGZVFWFLSA-N 443.573 2.434 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC1CC1 1760321847 KUQISPWLYLFNFU-FHWLQOOXSA-N 438.594 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1nncn1C 1760556401 CJERPCYFWWYKGK-MRXNPFEDSA-N 447.590 2.001 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760751175 VEYFGUUOUSILBI-MRCUWXFGSA-N 444.580 2.382 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760804590 HJODHPVMJAOOCQ-UGDMGKLASA-N 440.573 2.223 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCCOCC(F)F)CC2)c1C#N 1762403562 YPJKAKQZDAIXNF-UHFFFAOYSA-N 448.522 2.143 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1764457555 ZTTMBOKQAKSZJR-MOPGFXCFSA-N 437.596 2.482 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCCC1(C)C 1766407074 GJMSCCKGGDASRM-QHCPKHFHSA-N 439.564 2.349 30 10 IEEE CN(C)C(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1766846404 KXKLODYBSNNIBI-KRWDZBQOSA-N 428.562 2.308 30 10 IEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1767253832 BVIRREVKBPVFCA-UHFFFAOYSA-N 438.532 2.118 30 10 IEEE CN(CCc1nccs1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1767290978 DSYCENJXHXQSRI-WUKNDPDISA-N 429.550 2.237 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCSCC2)cc1 1767959685 KHPQDAZLKAKGMZ-IBGZPJMESA-N 428.562 2.145 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(F)(F)F)CC1=O 1771135697 GIKOQFXJVXDGFI-UHFFFAOYSA-N 436.438 2.454 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1771538413 CGIQFMBVVKUAPS-LSDHHAIUSA-N 438.410 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCC2)C1 1772660283 PRZYSZDWKPQMRE-UHFFFAOYSA-N 437.953 2.354 30 10 IEEE CCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1nnc(C)s1 1772737511 LYUKAPDBXSSWEW-XAHMHOJXSA-N 429.483 2.272 30 10 IEEE Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(CC#N)cn4)CC3)nn2)cc1 1851601178 QIKHDOKZCQRYCJ-UHFFFAOYSA-N 429.484 2.071 30 10 IEEE COc1ccccc1N1CCN(CCCNC(=O)c2cnc3c(c2)c(C#N)cn3C)CC1 1851810618 VNJZJTFEDCZVRG-UHFFFAOYSA-N 432.528 2.396 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(C#N)c2)C(=O)C1 1853781867 OZFQRQDIDISZPA-UHFFFAOYSA-N 447.900 2.202 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(F)cc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855734503 QLEODCFUUBYXBN-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE C=CCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2ccc(OC)cc2OC)C1=O 1863753435 ASDKACQYTTZMSM-UHFFFAOYSA-N 443.500 2.180 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(CCC)nn2C 1865225466 WNUBDCNAWOEQGB-LJQANCHMSA-N 440.544 2.473 30 10 IEEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562024 JWKRVXUUDYMRDD-IAGOWNOFSA-N 426.565 2.397 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)CC1 1890341020 APRILRZLCJDYGF-UHFFFAOYSA-N 441.601 2.400 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCN=c3ccc(-n4cccc4)n[nH]3)n[nH]2)c1C 1891631951 SKDJVCHQYFAAKC-UHFFFAOYSA-N 445.531 2.311 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 1892074709 KGLJYSKTEMDOCV-QGZVFWFLSA-N 434.499 2.388 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1985058786 FWXBKAQTMJLKMP-JTQLQIEISA-N 432.262 2.301 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2039819243 PRQSYVHVWQSXDM-MRXNPFEDSA-N 435.374 2.220 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2124540435 HIVBMZPXVKDWDK-WPZVUHSISA-N 448.369 2.421 30 10 IEEE CC(C)(C#CC(=O)O)NS(=O)(=O)c1ccc(Br)cc1Br 2202782554 JMXAQKLWGCWRGP-UHFFFAOYSA-N 425.098 2.357 30 10 IEEE N#CC[C@H]1CC(F)(F)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2225643969 JGQDMINRKHLJNQ-AWEZNQCLSA-N 425.457 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2248402753 ANTPEGQKCGZGDD-HNNXBMFYSA-N 440.733 2.463 30 10 IEEE CCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC)C(=O)OC(C)(C)C 2255624291 CYQALMGHPQHGKK-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255630461 KTSOIAREXCEUNT-CYBMUJFWSA-N 434.346 2.227 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2255643925 YLTPFXDQMMMWHB-ZDUSSCGKSA-N 434.346 2.197 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256620693 LJUGTRWBWLMCPE-HNNXBMFYSA-N 438.330 2.233 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2256916168 AFWLSOCZVVIQCR-KBXCAEBGSA-N 429.278 2.367 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267181583 UKVHHMKZVBNCIV-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2267235619 MVNUFOHHRWIJJD-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCC1CN(C(=O)OC(C)(C)C)C1 2267497392 LSYKIAHOIJCEJR-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267507170 JPJSLWGIFJUZEV-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267604285 FHAUZEHVHUHPKE-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1O)C2 2267806473 XMNAGRZVTQLPPF-LFVRLGFBSA-N 444.337 2.431 30 10 IEEE C#CCCN(C1CCCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286051029 YYHSVWBZDUPBJK-LJQANCHMSA-N 436.530 2.354 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1OC 2296125325 AYIGDRBDFIOULK-FQEVSTJZSA-N 425.485 2.472 30 10 IEEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)NCCC(=O)O)ccc3C2=O)c1 2297472063 YMECUBJJBAILOQ-UHFFFAOYSA-N 427.409 2.290 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CN=c3cc(B4OC(C)(C)C(C)(C)O4)c(F)c[nH]3)[C@H]2C1 2322292774 FDQMXWOOHOLIPS-QKDCVEJESA-N 433.333 2.467 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1OC 2329034992 RTPADOHTTGRSJY-HNNXBMFYSA-N 431.518 2.158 30 10 IEEE COc1cc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)ccc1O 2329322580 QVWOBNDTIMDDPR-UHFFFAOYSA-N 427.486 2.169 30 10 IEEE N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 12069437 AIBBZDVLJMWRSL-UHFFFAOYSA-N 425.920 2.479 30 10 IEEE COc1ccc(-c2nnc3ccc(OCCNC(=O)COc4ccccc4C#N)nn23)cc1 13706117 FYWUTDLOKMUGPK-UHFFFAOYSA-N 444.451 2.246 30 10 IEEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1nc2ccccc2s1 20292672 SVJBFFXXUNXHAL-AWQFTUOYSA-N 425.503 2.173 30 10 IEEE C=CCNC(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(COC)n23)C[C@@H]1C 34707626 WKJHAKNWIMBWOJ-ZDUSSCGKSA-N 429.912 2.483 30 10 IEEE C=CCN1C(=O)N[C@H](c2ccccc2C)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35991312 OBSCKIYFGOABSQ-JOCHJYFZSA-N 440.544 2.229 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 439938205 IJMUYBHCNNVEHD-JYBIWHBTSA-N 435.436 2.311 30 10 IEEE CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CC1 464771902 NEUSBNSQANUCSX-IBGZPJMESA-N 439.560 2.301 30 10 IEEE O=C(CN1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1)N1CCOCC1 474634200 VQODZNZQWKRKMP-UHFFFAOYSA-N 432.524 2.095 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CC(=O)OC)c2cccc(F)c2)cc1 476773732 YGFJHHHBXVDSNW-NRFANRHFSA-N 434.489 2.498 30 10 IEEE N#CCCSc1ccccc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 478184122 WZHLBNHSDQECHI-UHFFFAOYSA-N 425.514 2.179 30 10 IEEE CO[C@H](C)c1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 486650714 LNTLEPSHKNSMOE-CQSZACIVSA-N 434.543 2.177 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)C2=O)cc1 489238358 VNBBNWHERHHGCH-FXAWDEMLSA-N 438.434 2.107 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 505666116 WIHUCIYFTYKPFH-MQSCRBSSSA-N 446.507 2.398 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)nc1 511912631 VZERYXVKONWQHD-UHFFFAOYSA-N 431.500 2.442 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CC1 522843730 IUWKSBBDWZIIOJ-UHFFFAOYSA-N 425.489 2.292 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C)cc1 523815187 YKTBFUBJUSBYAX-UPVQGACJSA-N 432.524 2.431 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c1 524749372 PLPHXCZJWLZJEC-LJQANCHMSA-N 438.549 2.107 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1 525853136 DGQLPOIGVWEOSV-UHFFFAOYSA-N 440.525 2.472 30 10 IEEE COc1ccc(C)cc1C1(CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)CCOCC1 533457042 QSDPTMWKYGHXRC-UHFFFAOYSA-N 439.516 2.225 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)NC1CC1 541776554 YXDGVJPOBWOGHU-UHFFFAOYSA-N 440.529 2.057 30 10 IEEE C[C@@H](C(=O)Nc1cc(Br)ccc1Sc1nncn1C)n1cnc(C#N)n1 543080872 JCBWRMHGJCAZLE-VIFPVBQESA-N 433.295 2.392 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)CC2)n1 546169714 IPDSKTGSPBNRFL-UHFFFAOYSA-N 447.539 2.310 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Cc3cc4c(cc3Br)OCCO4)CC2)n1 546876269 KEUAWTAOWYHLOT-UHFFFAOYSA-N 443.301 2.378 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 549261333 QAQPDHQDFBOQQC-GOSISDBHSA-N 433.459 2.183 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)CN(CC(N)=O)CC4)CC2)c(F)c1 557036327 YXUDBLBHQYOVCC-UHFFFAOYSA-N 435.503 2.396 30 10 IEEE N#CCn1ccc(C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1=O 586557055 BRYNALZNWIKSRX-HXUWFJFHSA-N 439.468 2.456 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(C[C@H]3CCCO3)c2=O)cs1 588152306 NMOAICPBNVKWQM-UKRRQHHQSA-N 431.583 2.226 30 10 IEEE CN(Cc1ccccc1Br)C(=O)CN1CCN(c2ncccc2C#N)CC1 619510082 LQXFRMIRSJZXSL-UHFFFAOYSA-N 428.334 2.496 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 669742008 XICITUWBCCLYOL-OAQYLSRUSA-N 431.496 2.400 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCc1ccccn1 726182061 KWKCJLQFSYBPQE-UHFFFAOYSA-N 437.868 2.136 30 10 IEEE Cc1cc(N(CCC#N)C(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)ccc1Cl 731729141 XWQQVRBMXRGNQR-UHFFFAOYSA-N 429.926 2.156 30 10 IEEE C[C@@H](c1ccccc1Cl)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732466597 PPFLKOCWCLMMBG-DNTCVELPSA-N 431.924 2.255 30 10 IEEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 735839709 FJYHJEQHFTZQNH-NVXWUHKLSA-N 429.521 2.362 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(C#N)cc1 740216963 ZZYPEFASDIITDZ-AZUAARDMSA-N 442.493 2.416 30 10 IEEE CCN1CC[C@H](N(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 741703042 KEEUOYUIPBVVDC-HKUYNNGSSA-N 434.606 2.474 30 10 IEEE COc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760403258 DZOHGIMTNUUTBT-UHFFFAOYSA-N 449.558 2.288 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)Cn3ncc4ccccc4c3=O)ccc2c1=O 765249806 QXDHLLBZZWBDSX-AWEZNQCLSA-N 447.520 2.400 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 765282663 WZCZHNHUBDYDHW-HOTGVXAUSA-N 440.525 2.229 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cc1F 774280049 KCQAWOSKGMNGLH-KRWDZBQOSA-N 438.569 2.295 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC1(OC)CCC1 779752462 FFDQHICZCZBNMU-SFHVURJKSA-N 448.589 2.264 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(N3CCOCC3)CCC2)cc1 782580464 ANZRLYYWQVRAPF-GFMRDNFCSA-N 448.589 2.473 30 10 IEEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)cc1OC 783076876 KRTHGJTYRCPECD-HNNXBMFYSA-N 447.488 2.377 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 787977445 YRCRXUPFSNGDDI-UHFFFAOYSA-N 447.488 2.454 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@@H](C#N)c2nccc3ccccc23)c1 792104060 WKYUNIKRMAWXEI-LJQANCHMSA-N 438.509 2.303 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797426571 WOWWTNXWVARLEJ-XHSDSOJGSA-N 425.518 2.452 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 798010572 VJFSHTRMOHDSER-ODRGZRGXSA-N 436.534 2.353 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)C1=O 800217984 VMDWJVRNRIEHGS-UHFFFAOYSA-N 427.438 2.117 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccs1 802701812 OMTWSKQBFHBJQV-KRWDZBQOSA-N 427.578 2.483 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2c2cnn(CC)c2)ccc1F 807925101 HPHAVJKUMNAIGL-QGZVFWFLSA-N 438.550 2.437 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 809885785 OAMRRGVSIUOLDT-KRWDZBQOSA-N 449.552 2.158 30 10 IEEE N#CC1(CC(=O)NS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)CC1 816001178 JEJXCDSXTNHSJP-UHFFFAOYSA-N 426.292 2.223 30 10 IEEE COc1ccc([C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C2CC2)cn1 1131823497 SQKWMMSJMLYNHX-WIYYLYMNSA-N 433.468 2.434 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CCO2)cc1 1134283543 SZAXZIPTXUPDLV-FGZHOGPDSA-N 435.480 2.496 30 10 IEEE CC[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H](C)S1(=O)=O 1140280643 XAFYMACZHVWLRT-SQDOKRSFSA-N 439.578 2.197 30 10 IEEE C[Si](C)(C)c1ccc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1147746436 LFYJTVNXWYPVGP-UHFFFAOYSA-N 429.618 2.019 30 10 IEEE Cn1cc([C@@H]2C[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCO2)cn1 1159682557 IFDZDSLXGVPEEH-QOKNQOGYSA-N 427.892 2.335 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)C1 1177759469 QEERPPKLLKQQJM-UYAOXDASSA-N 440.544 2.292 30 10 IEEE COC(=O)c1cnc([C@@H]2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)s1 1225936664 FRQSTTIMIAVJAT-RDBSUJKOSA-N 449.533 2.188 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286312689 YIVYHYSZAZPJGD-LJQANCHMSA-N 428.581 2.306 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1286381215 OTRTWXGMCQQTHO-BZSNNMDCSA-N 433.553 2.471 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(c2ccncc2)CC1 1286402464 ZOJJOYCMQZYPJB-VWLOTQADSA-N 448.571 2.315 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286546965 LXVTUXPIDRUULP-IEGUWTFLSA-N 447.580 2.172 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286756855 YBFLVQZQKDGYDX-PKOBYXMFSA-N 437.548 2.076 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2F)C1 1286809003 FYHFYUITHDJIDL-ROUUACIJSA-N 434.537 2.457 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)CCO2)cc1 1289350132 VNYIYLPDONRIJA-JOCHJYFZSA-N 439.537 2.002 30 10 IEEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291071466 BIICJUWWAFBKFI-AXHJYSETSA-N 438.536 2.220 30 10 IEEE CN(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccsc1 1298025111 BJBSIBNAUXSMGO-MSOLQXFVSA-N 448.618 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCN2CC)CC1 1300726526 NQWMBVPIAMHFAQ-JOCHJYFZSA-N 449.603 2.104 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCOCC1 1300763352 UUNDEMNBVFRGKV-UHFFFAOYSA-N 427.578 2.045 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301000295 PXDXDDYRWBZUDI-LJQANCHMSA-N 440.548 2.280 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1)C1CC1 1301317683 YSZGUJSCJDVMFY-UHFFFAOYSA-N 449.353 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301578238 UIEFFZWBZNCUBW-SPEDKVCISA-N 446.573 2.319 30 10 IEEE COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1301863039 FBKOIOQEVUHFHZ-HMFYCAOWSA-N 430.553 2.145 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(Nc4ccc(F)cc4)C3)CC2)cc1 1302085484 FCYQWMIRWZPMGV-UHFFFAOYSA-N 442.516 2.421 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1302149721 ABJIOXOPIRZDRX-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@H](O)CC4(CCOCC4)C3)C2)C1 1302916302 ZSRDZVNTJVHKLS-POTGORPSSA-N 433.549 2.163 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1304559793 AXSKGGZTNUZQDU-FPOVZHCZSA-N 425.533 2.349 30 10 IEEE C#CCOc1ccc(CNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 1312554199 OTUSYOYDRQWHET-UHFFFAOYSA-N 431.489 2.377 30 10 IEEE CCN(CC)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1313695081 LPNPTPFLADBNRN-LSDHQDQOSA-N 441.580 2.383 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1316535088 DIJZYDUHISYNSH-SFHVURJKSA-N 449.481 2.267 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)Nc3cn[nH]c3)c3ccccc3)CC2=O)cc1 1319646123 LJKSDNQCCVYXOK-UTKZUKDTSA-N 428.452 2.130 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CC(=O)Nc3ccccc32)c1 1351602096 PRWNBAFXFXFOPG-IBGZPJMESA-N 431.492 2.376 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1358934948 REORFTNFRMPQIU-UHFFFAOYSA-N 442.539 2.056 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1359113523 KOCIEUDUOBGXQQ-QGZVFWFLSA-N 428.562 2.473 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359157195 BHQGUIJZMHWWOX-DNVCBOLYSA-N 438.916 2.341 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](Cc2ccccc2)OC)CC1 1359159420 VVOCMJQZXMDTID-HKUYNNGSSA-N 433.578 2.302 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1359173095 UPONIKYKPSFBIM-UHFFFAOYSA-N 439.564 2.099 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1359267016 RZVCBQWXRHXLCU-QGZVFWFLSA-N 444.605 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C(=O)NC 1359328711 MEZHBNDGKHEWMK-OAHLLOKOSA-N 445.545 2.110 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1359334305 AFHBLKWQKBQEEV-UHFFFAOYSA-N 440.529 2.070 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 1360792386 OMKGCPIVEJIKPM-GOSISDBHSA-N 444.561 2.238 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1436779459 XKWQOXSGFNXHCI-LJQANCHMSA-N 429.473 2.438 30 10 IEEE Cc1ccc(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1451714105 UPZRLOXTOBHWGC-UHFFFAOYSA-N 438.550 2.220 30 10 IEEE C=CC1(CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)CN(C(=O)OC(C)(C)C)C1 1452365255 PDQIEERNYWVGGK-LJQANCHMSA-N 426.521 2.431 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 1454631087 DIXIFOLCWRDIEA-UHFFFAOYSA-N 447.492 2.226 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n[nH]2)c1C 1464090479 DZGZCFKKBYYVLY-UHFFFAOYSA-N 436.476 2.342 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1)C(C)C 1465138444 CBTQQKAQXUZPNV-GOSISDBHSA-N 436.578 2.333 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)nc1 1468541098 PLLIOEZZCWLUSY-GFCCVEGCSA-N 432.234 2.500 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1478567043 DVHUJFBCURWRKY-HXUWFJFHSA-N 448.479 2.050 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1504681372 CDOWWAWDBJBGSJ-SFHVURJKSA-N 426.521 2.070 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1O 1505267675 DXBPHSACLDXMAO-QAPCUYQASA-N 431.562 2.237 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507633872 KFXRAGXXRSSYPA-UGKGYDQZSA-N 448.564 2.150 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507634827 PYKHOJXYWGNTFD-RTWAWAEBSA-N 440.569 2.149 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1507679820 RMMPDBOURWBXOO-LLVKDONJSA-N 435.497 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(C)(C)C2CC2)CC1 1507734380 WVNZHLGSPUPNSJ-UHFFFAOYSA-N 440.592 2.306 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1507750507 XFSUSTDBBUWUTA-WBVHZDCISA-N 443.577 2.451 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccccc1 1507763757 FMMIUAGGYHBPNG-LAUBAEHRSA-N 431.562 2.350 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1507764846 OQQXAANVJLFKPO-OPAMFIHVSA-N 443.573 2.254 30 10 IEEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1507835267 SCKDQNWGPYJJEB-YCRNBWNJSA-N 449.596 2.262 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1507847890 RPQFVTAVXWZEJP-SFHVURJKSA-N 426.521 2.046 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1507883568 CJJGQHBIUVHJLH-QGZVFWFLSA-N 441.623 2.055 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1507953026 ZYKGTUIHWJWVBD-UHFFFAOYSA-N 436.560 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC(F)(F)CO2)C1 1508109428 MDRYQXOMLWRBBL-CVEARBPZSA-N 427.496 2.402 30 10 IEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1509091224 FBMITZCLWVWCPF-QYZOEREBSA-N 435.594 2.371 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CCC1 1517107840 AGHGLSFZBHGUPY-WJOKGBTCSA-N 440.573 2.323 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1517637237 LETVHLWKEZRMOP-WOJBJXKFSA-N 439.516 2.402 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2cn3cc(F)ccc3n2)c1 1527211046 FCHRDEKNCZTPOF-LYBHJNIJSA-N 429.477 2.467 30 10 IEEE C#C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccccc1 1529727875 CZHYQAAPJZXMRL-GOSISDBHSA-N 445.497 2.495 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(Cc4ccc(C)cc4)CCO3)cc2C1=O 1532337901 SGHOOJBSRHUZNT-HXUWFJFHSA-N 433.508 2.408 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1538972107 JGHDTLBCDLLVMA-VGWMRTNUSA-N 431.562 2.279 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539089824 SRMQPJPOUDVCCN-UHFFFAOYSA-N 431.585 2.194 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539220374 RKUXXRDIUFHQST-OALUTQOASA-N 449.646 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(=O)NCC)cc1 1539338691 YHMVDKVCSYGMTJ-VXKWHMMOSA-N 449.555 2.263 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1539431095 OUTPJKAYPXKKLX-UHFFFAOYSA-N 436.604 2.162 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)C)CC1 1539440913 DGKCKRKIGMKJES-UHFFFAOYSA-N 431.544 2.163 30 10 IEEE C=C(Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539770499 MLXBBOFMVALJSJ-CVDCTZTESA-N 425.533 2.344 30 10 IEEE C=C(Cl)Cn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539819473 FOIWDYCGTTVWGX-GOSISDBHSA-N 432.974 2.085 30 10 IEEE C=CCn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540860689 HOTQYSCPAOBXAX-HXUWFJFHSA-N 433.582 2.381 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)CC1 1540864301 VRKSVIRTHQMOSE-UHFFFAOYSA-N 445.593 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H]1CCCOC1 1540865155 WXSKEXGDPRPBAN-MRXNPFEDSA-N 429.521 2.127 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1540870493 OVNLPSYESOIBKA-HDICACEKSA-N 438.580 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(C#N)C1 1540900129 LVYHQLRTFGEGSA-OAQYLSRUSA-N 443.529 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C(C)C 1540902559 MDEAHEAOQOICNV-INIZCTEOSA-N 437.591 2.307 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccsc1 1540907101 LKHHCGAUSSFKOS-QGZVFWFLSA-N 449.602 2.404 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC(O)CC1 1541118705 GFEVAVMHVLBTMF-QGZVFWFLSA-N 430.528 2.439 30 10 IEEE Cc1cc(C)cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1542154506 CARVSGKUVNWYFP-OXQOHEQNSA-N 434.541 2.190 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CO1 1543734718 KAWRTNXOWHVXLX-GVDBMIGSSA-N 437.537 2.485 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2coc(-c3ccc(OC)cc3)n2)c1 1544899734 FUNSUFRLTDYPPL-UHFFFAOYSA-N 439.493 2.234 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1546227488 SPRAWLSFLLVSFW-ZBKJMMEJSA-N 436.516 2.259 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccccc3OC)nnc2N2CC[C@@](F)(C#N)C2)C1 1548042660 HLLAAAIXAYCZMY-VUQFPLBCSA-N 445.495 2.238 30 10 IEEE N#Cc1ccc(N2CC[C@@]3(CO)CN(C(=O)c4ncccn4)C[C@H]3C2)cc1C(F)(F)F 1548366334 RHHPSYTVTOFEMS-QRWLVFNGSA-N 431.418 2.328 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1552456533 NGHVAASRFQQBHT-FZYZMVIOSA-N 442.589 2.172 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1558602561 VCQWGCONWLUTTC-QGZVFWFLSA-N 444.351 2.138 30 10 IEEE CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1565657327 NSXMPNICFACEBZ-ZACQAIPSSA-N 441.594 2.445 30 10 IEEE C[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)n1cc(Br)cn1 1568507867 HKHPHPLJAFNFRG-SUMWQHHRSA-N 430.306 2.386 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1587889041 SBUJJSLDHIOSRV-UHFFFAOYSA-N 433.988 2.500 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1C[C@@H](C)O[C@H](C)C1 1588124346 JNEOUYODOGZDDH-QZTJIDSGSA-N 444.539 2.468 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1588166807 PUEFPUKENWBYCS-JTSKRJEESA-N 445.589 2.291 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1588388305 ZXPBRHNMBMBAPP-YWZLYKJASA-N 436.965 2.201 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1588876744 HNGDMLRYFPNZGD-DENIHFKCSA-N 429.952 2.446 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589484926 WENXFLQTFXNONA-FUHWJXTLSA-N 425.599 2.243 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1593871970 ADFAZAUFOXUITM-AWEZNQCLSA-N 431.884 2.217 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)C)nc2)CC1 1594013264 DMSAQCZBMBPLPY-MRXNPFEDSA-N 434.566 2.275 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595476820 NNPAGKZKSPPCDJ-LSDHHAIUSA-N 446.939 2.041 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOCC1 1595659446 YRRDZBYWFXWWMF-FQEVSTJZSA-N 427.549 2.164 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1597707727 SHYIHOQISSLRHW-AWDQROCPSA-N 443.529 2.478 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCOCCS(C)(=O)=O 1606701804 SIMBDCPOSSJADK-UXHICEINSA-N 445.589 2.281 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1618126211 HWMOPBGBJVRVPN-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cc4ccccc4nc3O)C2=O)cc1 1623705848 RBJPMTIPXVQQLQ-LJQANCHMSA-N 429.436 2.333 30 10 IEEE C[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1625622271 FJTQSDSMTVWWRG-KHYOSLBOSA-N 447.557 2.427 30 10 IEEE C[C@H]1CN([C@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)O1 1627851367 MCAWDCDADKMUFN-VOKQLPBXSA-N 434.581 2.387 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1627894126 PRZVRHWRNARYHO-CRAIPNDOSA-N 437.562 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3COc4ccccc4[C@@H]3O)C2)C1 1628990302 LCCLKAGOINTRFU-HRPJUFQKSA-N 427.501 2.384 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1CC1 1629022657 XEIYAYDKQMIXPH-SDMXJPDVSA-N 439.578 2.197 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c(OC)c1OC 1629366089 PWOMEQRAFMQZGI-KXNSMUHISA-N 427.501 2.327 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C2)C1 1633151727 ZARPHSGZHSMDSS-SLMGRZLQSA-N 441.397 2.448 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2I)[C@H](C#N)C1 1635213764 LJNFTSRZTHGPEM-SECBINFHSA-N 448.286 2.333 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)C(=O)OC 1637693951 OZNNLPCJROWBNA-KRWDZBQOSA-N 430.482 2.099 30 10 IEEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)cc1F 1638047816 BRSMNOBCRBZIKM-UHFFFAOYSA-N 437.518 2.082 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1638512559 GLVDKLPREKYPOA-YJBOKZPZSA-N 435.546 2.379 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1648734723 WDQSQHUJXINSDT-INIZCTEOSA-N 443.525 2.056 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 1665265368 RBSGBSRDCOKFSB-OAHLLOKOSA-N 449.554 2.414 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c(C#N)cn1CC 1672409913 DXYYQWYWSRKPTF-LBPRGKRZSA-N 429.399 2.231 30 10 IEEE C#C[C@@H](NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)C1CCOCC1 1672738917 PHJAWKJLRIOJDP-HSZRJFAPSA-N 440.588 2.085 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)c1 1682384419 DYSVHRSDEZIESZ-UHFFFAOYSA-N 429.528 2.321 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689887362 YONXOFYRAIKASI-HNNXBMFYSA-N 440.529 2.021 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCCC1 1689975511 ZPCUMYGQXSTMOM-UHFFFAOYSA-N 432.546 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ncnn2C(C)(C)C)CC1 1690137047 MVIRBBOKJULQGW-INIZCTEOSA-N 426.569 2.152 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1690301126 PRWPSOSDMDXULN-WNRNVDISSA-N 425.599 2.496 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690315871 OIXIPCPLUPEDGG-IBGZPJMESA-N 447.605 2.240 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1690326031 PVWRUFUKCMNDBD-HXUWFJFHSA-N 438.532 2.295 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690748873 JVNGKRYRJCRNAS-QGZVFWFLSA-N 427.534 2.452 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(N)=O)CCCC1 1691101872 UDKTVSXCZKDWSY-UHFFFAOYSA-N 436.564 2.215 30 10 IEEE CC(C)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1691663490 ZFMXOQYZXBAKMI-VZCXRCSSSA-N 438.488 2.293 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1692346332 BGSZJVIFIHLQGC-GOSISDBHSA-N 436.626 2.431 30 10 IEEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1694488182 AUINGNQCBJSAMA-WMZOPIPTSA-N 430.578 2.385 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1695509165 YUNDREJBNKDSMG-VQIMIIECSA-N 426.521 2.068 30 10 IEEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1=O 1695853030 FITOXSFMGGYRAV-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)COC)c2ccccc2c1=O 1695899144 FUYPTJNFRZSUOI-QRQCRPRQSA-N 439.495 2.399 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1697123460 AQPYMUSSNCCMPS-YVHKJVDXSA-N 427.505 2.148 30 10 IEEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCN/C(O)=C1\N=CC=CC1=O 1697547476 SHIFEDVUUMQWFE-RLBWVDARSA-N 435.488 2.076 30 10 IEEE COCC(C)(C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1697731946 SGQPTKSUSCQNSS-XXBNENTESA-N 446.596 2.168 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1705582928 MNUBCXAFMZHJMP-UHFFFAOYSA-N 427.593 2.209 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1705603683 YYGKBVHXDBSNFP-UHFFFAOYSA-N 443.309 2.044 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1705636085 XMUCEVJIFXAWKR-JOCHJYFZSA-N 449.647 2.289 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1705700126 OYOYHVQOBPXMQI-ULQDDVLXSA-N 429.487 2.448 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1705731328 WJGPGOMONYCDAZ-SFHVURJKSA-N 449.577 2.013 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CC1 1705777196 ZFOWHQOPQXARRI-FQEVSTJZSA-N 426.583 2.156 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705900539 HNMCQHLRBNFXNZ-IBGZPJMESA-N 440.596 2.073 30 10 IEEE CC(C)Cc1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706403989 VHFVBYPLLDAPAK-VXPUYCOJSA-N 428.537 2.010 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1 1708908514 HKKWFLHYUDJOHG-MBSDFSHPSA-N 440.523 2.444 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722311747 KCKYGXJKDKVWHG-SFHVURJKSA-N 448.531 2.289 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722360915 KHGUYVAKFPLFLW-VQTJNVASSA-N 443.573 2.316 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)C)n1 1722389433 GWJNHPHVYVCQDX-INIZCTEOSA-N 448.618 2.174 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H]1C 1722405730 GMCIZQZRNDTZOO-GOSISDBHSA-N 444.605 2.139 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCN1CCN(Cc2ccccc2)CC1 1722418994 KOONAIOZQJHAKH-UHFFFAOYSA-N 438.620 2.479 30 10 IEEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1722742597 YXDLQGBWIGOXIG-LJQANCHMSA-N 440.573 2.221 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nccs2)C1 1722743147 RSOOLQSRTHDIBQ-HNNXBMFYSA-N 434.591 2.354 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723645892 IBLWDCDXZHQZOD-UHFFFAOYSA-N 430.516 2.063 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)n1 1725941429 ZEVXHPPIZWIFKW-QHCPKHFHSA-N 432.532 2.126 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2conc2COC)CCOC1 1728789357 FBHLJYGAZKJHRF-OAQYLSRUSA-N 430.509 2.243 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(C(=O)N(C)C)CCCC1 1730762270 CEQIMJXWUUXBOS-SFHVURJKSA-N 432.569 2.187 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@H](CO)O2)C1 1731183505 ZMNZJHLOLJWYFH-OGHNNQOOSA-N 439.289 2.018 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCN1C1CC1 1740632897 YEBXTCGAOXFWNE-URXFXBBRSA-N 425.577 2.408 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCN(C)C1 1740641926 PNKTUAQWFIDAJO-VWLOTQADSA-N 435.572 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(N2CCOCC2)CCCCC1 1740683920 RMBJSMNDGNUVHP-UHFFFAOYSA-N 438.576 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccncc2)CC1 1740704591 UCJYOLPBFHFSRD-UHFFFAOYSA-N 439.523 2.420 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)CCOC 1740734133 ZIVMJDUUKPRVOP-XMMPIXPASA-N 435.576 2.477 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1741019249 YBFVANMAEHXSPE-KRWDZBQOSA-N 432.475 2.403 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1748906908 ZMODVSZQOMZUJR-GOSISDBHSA-N 443.511 2.438 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(C)C(C)C)CC1 1748979076 VAVSFNNSZOIQAM-UHFFFAOYSA-N 434.386 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H]2CC)CC1 1749001169 KPDUEDFAYNZBAR-QUCCMNQESA-N 440.592 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCC[C@@H]2C)CC1 1749009897 XDGXAZKDSRIQFM-IBGZPJMESA-N 435.576 2.099 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1749357425 PVLMTYXAYBFMMK-UHFFFAOYSA-N 435.536 2.192 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1749471397 MLFLXEVGKHOXHW-IBGZPJMESA-N 447.605 2.328 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749657590 BQFODPDHQXJMNC-APWZRJJASA-N 444.967 2.058 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749689179 AJVZOZHUJIUMHR-IBGZPJMESA-N 436.516 2.228 30 10 IEEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Br)n2)CC1 1750387386 XQCZSRCRLADIKE-UHFFFAOYSA-N 444.337 2.346 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760184940 ZLPZRSNBAUERPF-DOTOQJQBSA-N 434.587 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCOCCN(C)C 1760195306 BJWHVPBMOUKLIF-UHFFFAOYSA-N 430.350 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC)cc1 1760218461 HBDAHCGTBNAMQG-OAQYLSRUSA-N 440.569 2.228 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCc2ccccc2)CC1 1760524430 XUSIMYDVYBRFKR-NRFANRHFSA-N 438.576 2.187 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760526040 BCCRZBFCXNUXFF-IUODEOHRSA-N 425.459 2.077 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1760554693 KHXMNGMKIDTCAD-HDICACEKSA-N 441.642 2.013 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)C(C)C 1761036296 PAKVHARDTLTVGH-UHFFFAOYSA-N 438.580 2.232 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C1CC(C(C)(C)C)C1 1761498481 FYVKQSUPNXIUQG-HRSCSKTISA-N 449.625 2.062 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCOC1 1768576391 HTVODIMBAXULLL-AVRDEDQJSA-N 442.589 2.391 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1768980539 HPKRCRBXSIREKL-HUUCEWRRSA-N 435.431 2.019 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)cc1 1771532607 HQDVMAVGXKMHJN-GOSISDBHSA-N 427.459 2.275 30 10 IEEE C[C@]1(N(Cc2cn(Cc3ccccc3)nn2)C(=O)c2cccc(C#N)c2)CCS(=O)(=O)C1 1853417886 PRCNSSRLGVNJIK-QHCPKHFHSA-N 449.536 2.418 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCCC[C@@H](N3CC(Cn4cncn4)C3)C2=O)c1 1855887590 CNECYUWCGIOPAC-LJQANCHMSA-N 426.908 2.151 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)C1(C)C 1856122025 NXPIDJXYKXXMMS-LJQANCHMSA-N 433.574 2.174 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)c1 1862606328 OVGJNNAAEPVUIZ-RBZFPXEDSA-N 425.437 2.426 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 1862627805 QMBGCKFOSKSYOO-LJQANCHMSA-N 426.400 2.269 30 10 IEEE C#CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870560733 JSFOZCDVDDORKN-HSZRJFAPSA-N 437.540 2.370 30 10 IEEE C=CCn1c(C(=O)NCc2cccnc2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593367 BERYTPNDQYECRN-UHFFFAOYSA-N 449.515 2.221 30 10 IEEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873593687 UQMUSIMKMTUMMM-GOSISDBHSA-N 434.544 2.050 30 10 IEEE Cn1cc(/C=C2\Oc3cc(OCC(=O)NCCCNC=O)ccc3C2=O)c2ccccc21 1873851642 XJZIDPHOWISWPZ-JJFYIABZSA-N 433.464 2.426 30 10 IEEE CN(C(=O)c1csc(NC(=O)c2cccs2)n1)C1CN(c2nccnc2C#N)C1 1891894374 MDIZWENTJMDIQJ-UHFFFAOYSA-N 425.499 2.079 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2244003318 NKKSEFFJPBKZDP-JKSUJKDBSA-N 427.542 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247772948 BYFPGAIMRGQAMK-LSDHHAIUSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247834938 DFRAGWAIAMKKAK-IMRBUKKESA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247905923 KWIBQPMLGYPUEY-CYBMUJFWSA-N 437.371 2.475 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255704782 MKPAPPMCXUHCAW-VXGBXAGGSA-N 430.232 2.250 30 10 IEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997154 SUIKLSDXPZMUQS-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE Cc1cc(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267120736 OKVBPADKEJQKBG-AAEUAGOBSA-N 444.259 2.416 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267129689 DYNLJVWIYMQULA-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267189373 ZLCZZKJQPHIPNM-GASCZTMLSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267194101 NFNSEQJHJHEREN-CQSZACIVSA-N 448.373 2.474 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267243343 VEOUGZUQFXTRTE-QZTJIDSGSA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267267569 XQQLOUSRIOWMKO-HSZRJFAPSA-N 446.353 2.088 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267476992 GISGCRGGQGVPQB-DOMZBBRYSA-N 441.259 2.052 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 2267495821 QOBNKAICZYTGJX-OALUTQOASA-N 436.365 2.066 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267503415 CVXNFYNBZYLTRC-IBGZPJMESA-N 438.381 2.280 30 10 IEEE Cn1nc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267547050 FRPWXAFPELWSAX-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CO)C1 2267589909 HSTCYRIIWANUSM-SFHVURJKSA-N 446.353 2.040 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)OC1(C)C 2267873384 OYKZBTHUSMNGJH-RTBURBONSA-N 434.349 2.122 30 10 IEEE Cc1cc(S(=O)(=O)NC[C@H](C)CC2(C)OCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282320876 OMRWLUQNXZPYLD-CYBMUJFWSA-N 445.412 2.423 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CO[C@@H]1C2 2312794682 NWWUCAYMGAUCFF-SMOZNVCYSA-N 440.544 2.295 30 10 IEEE CCOc1c(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cccc1OC 2322614638 JXJTVKDKPFJDTN-ZDUSSCGKSA-N 440.909 2.110 30 10 IEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1OCC 2330795139 JOKMBUVEOXKOSY-UHFFFAOYSA-N 449.533 2.249 30 10 IEEE Cc1cc(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343645790 ZJOBORLEGUXWTQ-SFHVURJKSA-N 448.369 2.186 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)cc1OC 20528075 MGFFDQFZTQWNFP-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 27903868 KYDMDFYQHFTPAO-IBGZPJMESA-N 438.572 2.115 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCOC)[C@@H]1CCOC1 460936497 ZAGVYCZXKKBDFH-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1 478862438 ILIUTRSOHMUXNS-UHFFFAOYSA-N 447.488 2.002 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)ccc1F 488888206 GKCKEXRJYQXGEK-UHFFFAOYSA-N 439.415 2.445 30 10 IEEE CS(=O)(=O)CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 490098805 XXGVEPWNPVDTEQ-CQSZACIVSA-N 435.365 2.299 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2nccc(OC)n2)CC1 508677147 BNLKHFAUOQPRRK-SFHVURJKSA-N 435.488 2.102 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCC(=O)N(C)C)CC1 508999824 XLIIBQXYZSBHBX-UHFFFAOYSA-N 432.956 2.393 30 10 IEEE CC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1CC(F)F 537288078 GYFCEWAPTWRWQO-PMACEKPBSA-N 437.510 2.196 30 10 IEEE C=CCn1c(SCC(=O)NC[C@](C)(O)CO)nnc1-c1ccc(Cl)cc1Cl 549429140 AVZMFCVZRAKBSZ-KRWDZBQOSA-N 431.345 2.390 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 549700400 XROMKUAFBFGOKG-UHFFFAOYSA-N 449.559 2.811 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(CCC(=O)N(C)C)CC1 555244465 MMNJFCCQXWELQT-UHFFFAOYSA-N 442.564 2.042 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)NCc3cc(F)c(C#N)c(F)c3)cc2[N+](=O)[O-])CC1 555600176 RZKFVJDYEPPHHT-UHFFFAOYSA-N 443.410 2.343 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 610809807 IAHJKNYVELZYGX-UZLBHIALSA-N 437.525 2.059 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 610810778 IJQWPWCHEBDJDM-MOPGFXCFSA-N 440.569 2.348 30 10 IEEE CCn1c(CCC(=O)N(C[C@H](C)C#N)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 611087212 BBFHOUNLHKFBIO-OAHLLOKOSA-N 431.562 2.390 30 10 IEEE COc1ccc(CN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H]2CCS(=O)(=O)C2)cc1 611088841 CYWXVQDPDVAOBS-IBGZPJMESA-N 448.566 2.030 30 10 IEEE CC1CCN([C@@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc2)CC1 732448140 DSJZDMZRGGFFAD-XJUMHSELSA-N 425.533 2.285 30 10 IEEE CN1C[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCC1=O 738905475 XASATMVLKOSVTI-CYMZXICGSA-N 435.550 2.022 30 10 IEEE C=CCn1c(Cc2ccccc2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 744441470 SNTFLVILANXRQK-UHFFFAOYSA-N 437.573 2.064 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1c(-c2scnc2C)nc2ccccc21 745646412 LHPCFYBWHBAROW-CYBMUJFWSA-N 427.486 2.412 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCCCn3c(O)nc4ccccc4c3=O)cc2C1=O 750641157 MWUUPXUUIQTZGB-UHFFFAOYSA-N 433.420 2.131 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 771539856 FHQZYULESHMFBF-KRWDZBQOSA-N 435.513 2.413 30 10 IEEE C#CCN(C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 774026630 YKHWLCBGOGUGDS-ZDUSSCGKSA-N 425.463 2.046 30 10 IEEE N#CC1(c2ccc(C(=O)OCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 777177220 SXHICKJJWRXSBE-IBGZPJMESA-N 430.526 2.357 30 10 IEEE COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1ccc(C#N)c(F)c1 791302147 NXIBNAJAJJBSDZ-QHCPKHFHSA-N 437.427 2.366 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccccc3)c2=O)c1 794616403 HKIGANXKSRUUFO-HXUWFJFHSA-N 440.524 2.379 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](C(F)F)C1 808318008 WMZADIPGWOGAES-ZDUSSCGKSA-N 446.432 2.342 30 10 IEEE C[C@@H]1CCC[C@H](CNC(=O)C2CC3(C2)C[C@H](NC(=O)C#CC2CC2)CCS3(=O)=O)C1 952876178 DUVBHHDVMMIWEQ-QFTMVQBWSA-N 434.602 2.185 30 10 IEEE C=CCCn1cc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc3oc(O)nc3c2)nn1 1136618801 AQYSPEPZXIHIFC-CYBMUJFWSA-N 430.490 2.191 30 10 IEEE CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1149444735 SAZARLCFEWZTTD-HKUYNNGSSA-N 441.532 2.313 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)s1 1153132272 PNKUODXGRILXKB-HNNXBMFYSA-N 443.591 2.174 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)s1 1153132273 PNKUODXGRILXKB-OAHLLOKOSA-N 443.591 2.174 30 10 IEEE COc1ccccc1-c1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 1159003347 IEMSOMOWOUHVMQ-GFCCVEGCSA-N 443.510 2.391 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 1165508189 NESMNAXAOCPRJG-UHFFFAOYSA-N 429.498 2.447 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1167866135 NLLXYVYRXQZMAU-UHFFFAOYSA-N 448.325 2.011 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)c2ccccc2Br)CC1 1171178854 HJRRTGGUIHNCFD-MOPGFXCFSA-N 437.382 2.107 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)c1 1176137809 PSRWNEZHXYDVNB-OAHLLOKOSA-N 434.422 2.479 30 10 IEEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1178198344 JPWMMTATISSIIM-UHFFFAOYSA-N 427.954 2.065 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C(C)C)s1 1180543129 KJMCEZPFOFBDLT-WMZOPIPTSA-N 425.620 2.476 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2OCCC)CC1 1189613164 JQIXQNCKUUEQRC-UHFFFAOYSA-N 443.363 2.388 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)CC1 1196555878 IVBYXIBZKRHUMY-UHFFFAOYSA-N 437.562 2.496 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1216852016 GSVFANBUEJIWKW-HNNXBMFYSA-N 429.502 2.199 30 10 IEEE C#C[C@H](NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)[C@@H]1CCCO1 1226724441 JCQGOGWIYAQXLO-CZAAIQMYSA-N 433.574 2.096 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286319286 YZMNUQDFTFAEPF-ICSRJNTNSA-N 445.589 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)N1CCOCC1 1286423875 XVVWBQPKALGERW-UHFFFAOYSA-N 445.567 2.460 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286430602 PBPVFSVZHDWDSF-LPHOPBHVSA-N 433.512 2.072 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(N3CCCC3=O)c2)n1 1286469622 KPMJQTBCNTYFNT-UHFFFAOYSA-N 447.543 2.244 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286505480 BBLDGSXCJMJUJT-KRWDZBQOSA-N 425.624 2.038 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286565362 JPSKOSSWQMBYOK-SBHAEUEKSA-N 446.596 2.378 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1286605249 TVJNGMRQOVERFF-LJQANCHMSA-N 429.521 2.270 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286835620 WLJUAJIVOUILJW-INIZCTEOSA-N 431.562 2.452 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CCOCCS(C)(=O)=O 1286961655 QBNSQCMIPZCLLO-AWEZNQCLSA-N 425.942 2.256 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1286964869 FDCAKRMCFCQSNG-JSGCOSHPSA-N 437.426 2.209 30 10 IEEE CN1CCN(c2cc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)ccn2)CC1 1290967122 OKGKKFCMFSQFFT-GOSISDBHSA-N 430.553 2.037 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CCO1 1299134822 UULHLGURQIQMHM-QGZVFWFLSA-N 426.864 2.063 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2csc(C(C)C)n2)s1 1300081828 DFIOLQMFVXUPBB-CYBMUJFWSA-N 429.589 2.185 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)CCOC 1300274662 YBZWXBHVFXMIPL-BTYIYWSLSA-N 433.940 2.107 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300391487 OVPCWKIAPQUGQZ-KRWDZBQOSA-N 431.562 2.133 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1300497784 DIVURCNSJQVSSK-MRXNPFEDSA-N 441.479 2.124 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1300671277 GYQPUEQYJRODBM-SFHVURJKSA-N 426.521 2.010 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1300699931 JUMHVMCVUABFMI-CVDCTZTESA-N 427.549 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 1300718612 BKZOSSKHHIKYGV-INIZCTEOSA-N 447.461 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C(=O)NCC)CC1 1300729135 NZDKWAQIFQYDLJ-UHFFFAOYSA-N 442.608 2.139 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1301069762 DRTKAOVLKNHFPJ-NRFANRHFSA-N 438.594 2.300 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1301290142 YOMLWOZNLXWQEH-QHCPKHFHSA-N 438.532 2.493 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1301367017 JQEWIMAGWSJJIV-VQTJNVASSA-N 440.596 2.401 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC=C)C1 1301543111 VVJVWTZYVCPDRY-IBGZPJMESA-N 427.530 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596765 XYLCQOINIXYEOX-JOCHJYFZSA-N 446.573 2.440 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCNS(C)(=O)=O 1301952204 IGYNDBUJFDLIAG-KRWDZBQOSA-N 430.578 2.283 30 10 IEEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1302219114 DBFQADTZKNUPSY-QGZVFWFLSA-N 443.552 2.226 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](C(=O)OCC)c2cccnc2)ccc1F 1303532513 NPFDJWREWVBROV-GOSISDBHSA-N 435.477 2.061 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1303638591 AMQBIAIBRAUUCO-FUHWJXTLSA-N 436.582 2.240 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CC(F)(F)F 1305119276 GKSXTYIKSZOVEC-CQSZACIVSA-N 443.437 2.203 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315717287 PEKWMDJZHGZARE-KDDVOAFDSA-N 440.504 2.234 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C[C@@H](C)O1 1315929722 DGTZQLSCEZLZDV-UZLBHIALSA-N 438.532 2.116 30 10 IEEE CC(C)CN(C(=O)Cc1ccc(C#N)nc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1348035376 JWUOVHHQXAHTCU-UHFFFAOYSA-N 432.484 2.078 30 10 IEEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)(=O)CC1 1358921814 JTFRUWHRKXTOET-UHFFFAOYSA-N 441.326 2.495 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1358967594 NPLQTRNUBPYJLU-SFHVURJKSA-N 448.614 2.406 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1358992796 XHIWXOPHMGDJBG-SFTDATJTSA-N 447.539 2.217 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359033366 ZLSFNBKXMGNKFZ-UHFFFAOYSA-N 445.527 2.111 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359167951 BNYZMODENQZXPE-UHFFFAOYSA-N 436.516 2.167 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359183180 FFZLFCFJMPPTNV-HNNXBMFYSA-N 432.550 2.151 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1359226350 DFAYDJUPIFLIIX-IBGZPJMESA-N 443.523 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1359333070 NKGZUEPIMJXZOU-UYAOXDASSA-N 446.573 2.431 30 10 IEEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1359599330 IEHAJILPWUUCQG-UHFFFAOYSA-N 437.548 2.362 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCO[C@@H](C)C2)CCOC1 1360347296 GFEOERDTHUSXII-PSHVLCQKSA-N 433.553 2.253 30 10 IEEE CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1360841910 MQKIKIVMVBRBGB-CVEARBPZSA-N 432.525 2.115 30 10 IEEE Cc1nc(=NC(=O)c2cc(Br)cn(C3CC3)c2=O)n(-c2ccc(C#N)cc2)[nH]1 1435277561 KVUCIRFKSQLVMD-UHFFFAOYSA-N 439.273 2.381 30 10 IEEE N#Cc1cccc2c1CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCOCC3)c1)C2 1437270992 VCGGYAOZOGESFV-UHFFFAOYSA-N 431.901 2.389 30 10 IEEE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CCN(O)C2=O)cc1OC 1450159526 UNVGDTCRSPCKEO-SFHVURJKSA-N 436.468 2.336 30 10 IEEE C=CCn1c(SCC(=O)N=[S@@](C)(=O)N(C)C)nnc1[C@H]1COc2ccccc2O1 1458824439 DVMBZCNNMGMVOA-MHTXLSKPSA-N 437.547 2.170 30 10 IEEE Cc1cc(C(=O)N2CCOCC2)ccc1N(C)CC#CCN1C(=O)c2ccccc2C1=O 1459732118 JQWWGMRDCBWNIT-UHFFFAOYSA-N 431.492 2.203 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1464290268 DJLRTKPJLVJXFM-UHFFFAOYSA-N 439.946 2.126 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 1470095857 IZDAULVUEQZKMI-KRWDZBQOSA-N 428.518 2.483 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)ccc1F 1470477338 QKYIRCBHGSISSR-HNNXBMFYSA-N 432.395 2.171 30 10 IEEE Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)NCCc3ccc(C#N)cc3)cc12 1475488507 CREPFECOYOYKQV-UHFFFAOYSA-N 425.514 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Cl)cn1 1507522469 WAPSRZOIHWYKME-CQSZACIVSA-N 432.937 2.357 30 10 IEEE C#CCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507599963 VSSDDRQRCBTBJK-DHIUTWEWSA-N 431.581 2.033 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1507612769 SQURMDQJSPBRBO-UHFFFAOYSA-N 434.544 2.156 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1507633442 DSNWOKPTQMOEKL-BHIYHBOVSA-N 431.537 2.029 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507678379 GRAXYZKKZKXIER-JOCHJYFZSA-N 426.521 2.180 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1507733465 ZMMFEWASVOSRMM-RTBURBONSA-N 446.596 2.215 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nnn(C)n2)CC1 1507877472 BVNUXUNYUPIABA-UHFFFAOYSA-N 445.325 2.444 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507970956 NQERPWWXARITOL-INIZCTEOSA-N 441.561 2.239 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCCO2 1508041271 KQHYKOIOTLJQCP-QGZVFWFLSA-N 427.505 2.078 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508130034 GFSADINPIMWSJU-INIZCTEOSA-N 440.614 2.023 30 10 IEEE CC(C)(C)C1=CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508477603 PRXCYHCWMHCBEV-YGCDDZCOSA-N 440.548 2.491 30 10 IEEE Cc1cccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1511221273 CHZQQRYJPDDGKE-SFHVURJKSA-N 429.546 2.308 30 10 IEEE CO[C@@H](C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(Br)s1 1516422752 CNHQKVAAHBEQQM-OAHLLOKOSA-N 438.351 2.461 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)o1 1521095808 QERNNMAMICOBMF-UKRRQHHQSA-N 438.410 2.290 30 10 IEEE COc1cc(NC(=O)CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc(OC)c1 1533924348 FSMHKHMOPRUANM-KRWDZBQOSA-N 434.493 2.346 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1537805924 DUSGBSATAMZDDY-CEXWTWQISA-N 447.557 2.202 30 10 IEEE COc1ccc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)cc1S(=O)(=O)N1CCOCC1 1538915150 RUGSYLBQHLQIDG-UHFFFAOYSA-N 440.481 2.321 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1539133892 KXTHGBQSQRDSGQ-TZIWHRDSSA-N 426.609 2.461 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N1CCN(CC)CC1 1539163019 YTCIREBLVYEPSM-SFHVURJKSA-N 426.565 2.058 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1539210823 GPJCSVRSDRWRHF-MRXNPFEDSA-N 448.932 2.096 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539211971 QLVPALHFZPFOLG-KRWDZBQOSA-N 447.992 2.321 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1539259865 JGWPOGINAZMRHI-MOPGFXCFSA-N 444.539 2.299 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC=CCO1 1539346761 IFTFPSWSSKNUJI-KRWDZBQOSA-N 428.562 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 1539617288 VILGANDDOXOFDW-MTNOOBJLSA-N 449.577 2.456 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539752456 OSWOUSMKJSOPJM-NRFANRHFSA-N 437.548 2.267 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1540095169 XVRPRCZBVMPTJD-JLTOFOAXSA-N 437.566 2.161 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1540864969 QIEKWIAGQGDCOV-GOSISDBHSA-N 429.521 2.126 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1540877835 HIZFAYYLYLVJBE-PMACEKPBSA-N 425.533 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)C1 1540890484 FRXIICRTTXLKKQ-ROUUACIJSA-N 429.521 2.414 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541439481 UIUYHWKXDAUUKU-UNEBPCJRSA-N 442.564 2.134 30 10 IEEE Cc1ncc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1542958426 ADEOFDGLFFTQCB-HNENSFHCSA-N 427.534 2.158 30 10 IEEE CCc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546477874 MWUVOPXSABZRQK-VHEBQXMUSA-N 444.927 2.058 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1548000874 HVVUMVHHKSADGL-SSKFGXFMSA-N 445.495 2.238 30 10 IEEE CCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1548265353 OSJMHVGTPBKDFS-CQSZACIVSA-N 436.310 2.481 30 10 IEEE CSc1nc(O)c(C(=O)N(Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)cc1C#N 1557350408 SXCVNUKRWPKKBR-UHFFFAOYSA-N 446.554 2.450 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C1 1557916209 LNXNPTBHBNLECU-HSZRJFAPSA-N 447.520 2.397 30 10 IEEE C=CCOc1c(Br)cc(CN[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1OCC 1560527893 AOKSUMFWAWFCRY-GDBMZVCRSA-N 434.352 2.314 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1c(F)ccc(I)c1Cl 1583247090 QMNNFONPPBSBJF-UHFFFAOYSA-N 431.654 2.414 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1587286307 YMJAACVKSLNGIV-CYBMUJFWSA-N 438.727 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCS(C)(=O)=O 1587604263 UWXAAWKSZBEXQF-INIZCTEOSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-n1nc(C)cc1C 1588129150 XYZLPQCXODLATF-FQEVSTJZSA-N 427.512 2.153 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1588482924 YINOBBMWAXWSRD-KRWDZBQOSA-N 427.505 2.487 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)CC1 1589006348 DPJNFRYCGNRQST-UHFFFAOYSA-N 440.392 2.462 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H]1C)c1ccccc1 1594533308 BDLBMZWMDJJNEZ-ZHALLVOQSA-N 433.578 2.473 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594743864 BSRPKAYRKPHZCD-UHFFFAOYSA-N 438.623 2.460 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1594856551 GVZBGPSRGKQQPS-QGZVFWFLSA-N 430.528 2.344 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1)C1CC1 1595064996 GCJWKXVQXKNQRC-UHFFFAOYSA-N 429.546 2.029 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1595496877 JOAVXTMDDDSDLE-HOTGVXAUSA-N 441.532 2.365 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2n[nH]c(C)n2)C1 1595701021 WDCIEJPMBAYMOY-KRWDZBQOSA-N 439.520 2.413 30 10 IEEE CN1CCN(c2ccncc2NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1597121496 DQFXQWOPGHMJLY-UHFFFAOYSA-N 427.549 2.422 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C(F)(F)F)ccc2Br)C1=O 1597639741 MWKBDPMFJMBXBK-UHFFFAOYSA-N 448.195 2.061 30 10 IEEE Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607489230 OFGCYDFHEUBNDL-UHFFFAOYSA-N 429.795 2.274 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)C1=O 1618461402 CRUMCLGBZUTBHM-XWTGJVNOSA-N 426.496 2.391 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1619813944 MGFSTYFCAPTIHH-QUCCMNQESA-N 438.532 2.260 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1620000980 DWQPSBZWRGGBBI-HVETUWLQSA-N 430.553 2.143 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 1623850363 VGYGIKMIESTOHD-UHFFFAOYSA-N 428.518 2.397 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)cc1 1624983316 SYIPYHVBUKHSDZ-UHFFFAOYSA-N 436.493 2.389 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(c3ncccc3F)CC2)s1 1625590877 RPYVLBQQHCVSOJ-UHFFFAOYSA-N 438.550 2.028 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1 1627181691 FNRIBCMDRDGBSN-WMZOPIPTSA-N 445.564 2.007 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC=C(C(=O)OCC)C1 1629345905 ISOBOGVOKVJIIO-WBVHZDCISA-N 433.530 2.052 30 10 IEEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)n1 1630563905 ZNCHNHNUQORXKM-OAHLLOKOSA-N 444.488 2.317 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1SC 1630905564 XKZFGUIQLIGTRI-KONPQCLYSA-N 439.603 2.165 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3c4c[nH]nc4CN3C(=O)OC(C)(C)C)CC2)c1C#N 1636901191 SFINROZOZDNYEI-MRXNPFEDSA-N 443.533 2.187 30 10 IEEE CC1(C)OB(C2CCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)OC1(C)C 1637061777 AWYJFBXUBQEAHY-GOSISDBHSA-N 426.326 2.191 30 10 IEEE C#CCN(C(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@H]1CCCc2ccccc21 1638318415 QYCFHPRRFRCBLZ-QFIPXVFZSA-N 432.524 2.141 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F 1640081530 AGRDJQUMZZNKEL-MLGOLLRUSA-N 433.452 2.231 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Cn1cc(C#N)ccc1=O 1641190062 BUYBHOQYQVVRQI-UHFFFAOYSA-N 428.514 2.312 30 10 IEEE CC(C)n1cc(C2=CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1641396455 AYMZKTUDDMEQGI-INIZCTEOSA-N 442.545 2.103 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1643855074 PACIHWLTFPHURR-UHFFFAOYSA-N 445.497 2.333 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 1643889192 SHFFQWQVZKFNTG-RXVVDRJESA-N 448.445 2.227 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(=O)c1C#N 1654531248 RZMMYPSLKYLLHF-UHFFFAOYSA-N 445.233 2.128 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 1664401128 DHMRUXDJNUSMGK-JOCHJYFZSA-N 426.494 2.401 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1671140612 TVEUHNHSJYNLIA-HXUWFJFHSA-N 434.558 2.215 30 10 IEEE CN1C(=O)[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)Cc2ccccc21 1687020816 GYUOPUKJCUUCTE-HXUWFJFHSA-N 443.511 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2=CCCOC2)CC1 1690148645 NWJRJNZXVBVMKI-UHFFFAOYSA-N 437.519 2.321 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1690264743 BVXOAIRCOLTOJC-IBGZPJMESA-N 445.589 2.321 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCO[C@@H]1C 1690624143 HPUXQBNLIKGPOS-JPYJTQIMSA-N 425.533 2.460 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCc1ccccc1 1690993119 FQDGNFMNOZDGIV-KRWDZBQOSA-N 446.515 2.228 30 10 IEEE CC(C)CSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1692462351 FTPAHPLNQNPQPD-UHFFFAOYSA-N 428.562 2.444 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694089811 GUEHPHHIGDYSCR-QNWGQDPCSA-N 441.580 2.383 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1696647229 NDRWIJKPOVTHBV-ROUUACIJSA-N 429.546 2.398 30 10 IEEE CN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1696708166 QZGWKEIKORLEHS-MRCUWXFGSA-N 449.540 2.488 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1697197589 GLLRYNGUBYBISG-QHCPKHFHSA-N 431.500 2.364 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)c1 1697303414 QQDCVVPVUCNMSW-KKSFZXQISA-N 431.468 2.210 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(=O)NCc1ccco1 1705625547 OGJGWHJRGVXTNA-UHFFFAOYSA-N 445.458 2.423 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705656724 GWMSUEWOVIJHJD-IBGZPJMESA-N 441.601 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCN(C)C1 1705677843 DWHNQKJTBNEOER-DNQXCXABSA-N 439.560 2.315 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCCOC1 1705859081 GXHVUJMLYUCXCO-QGZVFWFLSA-N 431.562 2.428 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCSCC1 1705883042 SVNNYXGEBADMHS-UHFFFAOYSA-N 445.589 2.404 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1)N(C)C 1706809280 NSILRMBPTYEJEB-HKUYNNGSSA-N 434.548 2.406 30 10 IEEE Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707907243 DAFFDQXCZNGFFR-FZFLATATSA-N 441.561 2.058 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@@]2(CCOC2)O1 1708177143 LVTRFUKAZVLOLX-YCRPNKLZSA-N 433.459 2.483 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1708603411 FOXODCYLACHMLK-ROUUACIJSA-N 448.579 2.380 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@@H]1C 1710285868 HABULHRUPTXGAU-MBSDFSHPSA-N 440.548 2.065 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2nccs2)C1=O 1711271722 HWVRPQRUEQUXTQ-OAQYLSRUSA-N 437.529 2.300 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(F)F)C1 1712913206 XMVDXSRAZPWLLU-KMJMQOOCSA-N 431.447 2.281 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC(=O)N(CCOC)C1 1722277843 NWPJFSQVGZZTLW-ROUUACIJSA-N 447.543 2.288 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722290981 HQRQKSINBGUNBE-GVDBMIGSSA-N 430.553 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)OCCO2 1722387257 ILKQMYIIFFSVOQ-UHFFFAOYSA-N 435.528 2.479 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1722436642 JSRXMAWRVKCVOY-GOSISDBHSA-N 446.596 2.231 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC(C)(C)C1 1722459778 QWEHIDXMSZGHES-UHFFFAOYSA-N 441.605 2.434 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722487023 IUUXKVKHYZRIAR-ZDUSSCGKSA-N 446.396 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1722490557 APYCIJXJIQEQKF-VXKWHMMOSA-N 444.624 2.386 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722691360 UDLPRISYMLYYRP-AYWYSENESA-N 444.624 2.372 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NC(C)C)C1 1722718717 UYCOIJBXFXEEDE-KRWDZBQOSA-N 429.521 2.268 30 10 IEEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1725688437 HHCLSCBZYPQXQA-IBGZPJMESA-N 439.545 2.035 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)OC 1726845695 HHTXDFVDCMETFO-LPHOPBHVSA-N 425.537 2.339 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1 1727658479 GEVGZBKSIMHYAC-HXUWFJFHSA-N 431.500 2.081 30 10 IEEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1729592598 VLMKWWDEZNXVPB-OAHLLOKOSA-N 428.447 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCOCC1 1740541662 DOOHRFBGKIAHLU-INIZCTEOSA-N 438.561 2.291 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740587703 SMBUNVKPVJQPOL-UHFFFAOYSA-N 430.578 2.312 30 10 IEEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)N1CCSCC1 1740603314 NQQOKVIOSLGJIO-UHFFFAOYSA-N 445.570 2.139 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740626410 AUVIKYQLTMAUPJ-RTBURBONSA-N 432.521 2.138 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)C1CC1 1740652963 UPUZDPLWOVUYOU-UHFFFAOYSA-N 443.555 2.139 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1740661939 NBSGGKDOOYQJIA-CQSZACIVSA-N 432.525 2.211 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1CCO[C@@H](C)C1 1740684258 LVPLJRLLYYIOAQ-DLBZAZTESA-N 429.521 2.297 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([S@@](C)=O)CC2)CC1 1740692408 VOLILZZAWTUPCL-GDLZYMKVSA-N 435.956 2.404 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2cc(Br)cn2)CC1 1740695052 BPYOUSUTLXZLIX-UHFFFAOYSA-N 443.353 2.078 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 1740739255 QDJKRBFQIBWQLB-QWRGUYRKSA-N 442.330 2.278 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1740795830 GGGIEGZLUQLDOF-GOSISDBHSA-N 427.549 2.332 30 10 IEEE C=CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C)C1CC1 1740908661 GNHNIHYPGCJTMP-UHFFFAOYSA-N 433.534 2.156 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(F)(F)F)CC1 1740966366 SEOJWUGCCVXGAQ-RDJZCZTQSA-N 445.486 2.473 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1741001165 MKPBNVQDKKMSRS-QZTJIDSGSA-N 444.609 2.273 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(Cc2ccc(F)cc2)CC1 1741678196 CISFENNBBMAHNJ-SFHVURJKSA-N 426.496 2.307 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2ccn(C)n2)CCOC1 1741727381 KKSDGNMSOWOBSM-FGZHOGPDSA-N 427.553 2.425 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)OC(C)(C)C)n1 1742699309 DOFSGHSQWFNQTD-FQEVSTJZSA-N 432.504 2.106 30 10 IEEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742812104 JWPVMHYQELBQDU-UXDFZSADSA-N 445.527 2.444 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)c1ccccc1 1748638838 XMVYPIPHKXVCIX-INIZCTEOSA-N 431.562 2.128 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cncn2)CC1 1748698001 OMZLTUMINNCXKE-UHFFFAOYSA-N 433.520 2.237 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1748747053 BSUNNHHGTKYTKE-KRWDZBQOSA-N 431.500 2.207 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1748816387 ZNPPAEKCQBOZSP-JXFKEZNVSA-N 428.558 2.274 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749039228 QWDKMOYIIXEWDR-RBUKOAKNSA-N 429.594 2.273 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749043717 KBCDSXBWEXQHAP-BGYRXZFFSA-N 445.637 2.052 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1749056698 PTKJTACUGINRMS-LJQANCHMSA-N 436.354 2.437 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749231308 LWVQXAFTGHACHR-INIZCTEOSA-N 446.502 2.296 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749359234 WNPBDXFUIGHNGX-QGZVFWFLSA-N 440.552 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1749663593 KCMIKHZZQABFMT-KRWDZBQOSA-N 449.559 2.234 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760152009 CDYOCUSOCAGUTM-UHFFFAOYSA-N 433.491 2.179 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC(F)(F)CO1 1760249312 JGCLUKTVWITARM-YJBOKZPZSA-N 434.443 2.301 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(C)noc2C)CC1 1760256328 NMJMENVLLLTSFB-UHFFFAOYSA-N 436.516 2.371 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1760288677 IGACXQDDTBNMEK-LLGFUMIMSA-N 431.562 2.348 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1760306214 DRFSFQNDPLMHBZ-LLVKDONJSA-N 432.369 2.182 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1760400996 WPJFJZWMAHLCJH-HXUWFJFHSA-N 440.596 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1760517524 OZBXCUMYGBIYFA-MAUKXSAKSA-N 429.546 2.030 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)C1 1760541611 FHNMTVPECMGGAS-IRXDYDNUSA-N 426.583 2.167 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)Nc1ccc(F)cc1 1764911563 DCHCLKNVMIIKFV-UHFFFAOYSA-N 434.479 2.212 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)C(F)(F)F 1768055736 NATKQJIHQNDZHG-INIZCTEOSA-N 436.438 2.486 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C#N)o1 1769119825 MNROGYUWZYUKEN-AWEZNQCLSA-N 438.488 2.294 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)C2)CC1=O 1769876678 CJDRWTOHSGDGJQ-WMZOPIPTSA-N 440.573 2.253 30 10 IEEE COC[C@H](Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1770780900 FWUVXXSVPVQAFU-NCOADZHNSA-N 436.557 2.449 30 10 IEEE CON(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1771311841 KTOWHGXZSJCLEW-BMRADRMJSA-N 434.403 2.071 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCN2CC=CCC2)cc1 1771534696 LJLIJOAUCFINQL-HXUWFJFHSA-N 449.559 2.082 30 10 IEEE COC[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1851983981 CWIMSHYECUVXRH-FPOVZHCZSA-N 427.526 2.085 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3[nH][nH]c(C)c3C#N)c2C)C1 1852373915 ONBGLIMONLLMES-CYBMUJFWSA-N 437.426 2.046 30 10 IEEE C#CCC(=O)O[C@@H]1CON(S(=O)(=O)c2cc(Cl)ccc2OCC(F)(F)F)C1 1853899637 YHRHAKJUUBCDML-NSHDSACASA-N 427.784 2.152 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C(=O)C1 1853953247 URFGIYRHNGBLQX-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)C1(C)C 1856106627 KJAQCBOFTUEOIR-OAHLLOKOSA-N 430.574 2.185 30 10 IEEE N#CCCN1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C(=O)C12CCCC2 1856625401 CTMHTXFAIJYYRZ-UHFFFAOYSA-N 425.457 2.194 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1 1862629822 FRUQTYTXXMGWGU-ADLMAVQZSA-N 426.381 2.283 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862682494 PRSDEIHOTBOIEP-HXUWFJFHSA-N 440.427 2.311 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862696123 NEWXNHRGUJUFGB-LJQANCHMSA-N 443.452 2.379 30 10 IEEE C[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc(C#N)c1 1866894111 NIYFTQNLLIWSGV-QGZVFWFLSA-N 445.523 2.374 30 10 IEEE CC[C@@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868794815 GQRJFYVWZNDHCV-XMSQKQJNSA-N 431.606 2.084 30 10 IEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCCCCC2)cc1=O 1870561465 NWQAQOVAAIOLSO-UHFFFAOYSA-N 443.569 2.126 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCCCO)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871538445 AHUMLWVGFQYPCF-UHFFFAOYSA-N 426.521 2.331 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccncc1 1874275562 YBKUGTYGVWIBDW-SOAGAIGUSA-N 443.577 2.288 30 10 IEEE Cc1cc(Cl)ccc1OCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889429576 WXKKWCZSFREILM-UHFFFAOYSA-N 433.980 2.286 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN(C(C)C)C(C)C 1889778175 OFXICZZMOLOUSP-HXUWFJFHSA-N 436.622 2.031 30 10 IEEE C#C[C@H](c1cn(C)nc1I)N1CCN(C(=O)OC(C)(C)C)CC1 1900290436 CCUIBERNXXUCEA-CYBMUJFWSA-N 430.290 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060624241 WLCQHPCCUVPYIP-AAFXUOQASA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2131467707 APJZFPAOIZDCBN-UHFFFAOYSA-N 446.353 2.143 30 10 IEEE Cc1nc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247858632 GMCBZROECYZFAL-STQMWFEESA-N 437.371 2.394 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247961519 GHMRLLSBANJIDF-MGPUTAFESA-N 442.387 2.493 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2255672846 MGJDVOIDJGGLJR-WMLDXEAASA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255826198 MIDRIRZPNRECSR-HDJSIYSDSA-N 434.346 2.275 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)C(C)(C)CO)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829942 XQAUOBBMRDSFKD-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE CN(C[C@H](O)CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2256897717 WOHVDQCUVSPTEY-OAHLLOKOSA-N 439.337 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3cccc(B4OC(C)(C)C(C)(C)O4)n3)C[C@@H]2C1 2266698842 BDKRAJAQENODDT-SJORKVTESA-N 445.369 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266993566 JHMCMHCUJOCBJL-QILLFSRXSA-N 443.353 2.366 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267147574 VTKFFFRVZPILRB-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2267169019 HGOVUXPHWCTAIG-UHFFFAOYSA-N 446.357 2.249 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3CC4(CN(Cc5ccccc5)C4)C3)c(F)c2)OC1(C)C 2267179432 PXCWRTOKRALUMJ-UHFFFAOYSA-N 437.324 2.478 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267282656 FNMLRPMWLJZBCQ-NVXWUHKLSA-N 449.357 2.068 30 10 IEEE C[C@@H]1C[C@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2267483309 QMJDLVZYQBFDCE-MJGOQNOKSA-N 438.381 2.454 30 10 IEEE Cc1ccnc(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267511449 CTAKINMYRVOSHZ-UHFFFAOYSA-N 447.341 2.314 30 10 IEEE CC1(C)OB(c2cncc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2267589046 UWTAXIWVPOCVNQ-OAHLLOKOSA-N 441.259 2.054 30 10 IEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267879320 GTUMZPHSTOIBHY-OAHLLOKOSA-N 446.357 2.151 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267880193 QNMKATYKUPMSAQ-CABCVRRESA-N 446.357 2.294 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2268794625 URQVXVOHXZIJQA-GOSISDBHSA-N 448.369 2.220 30 10 IEEE Clc1ccccc1C=CC=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 2297201514 VQNDYQDYUOUASP-UHFFFAOYSA-N 429.912 2.309 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)C=Cc1ccc(C(=O)OC)cc1 2326878779 ALJDHTJRORFZLX-UHFFFAOYSA-N 441.509 2.267 30 10 IEEE N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCCC2 14192848 ZFIAANUTZYQCOC-UHFFFAOYSA-N 444.582 2.444 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)c1 20291854 RWDIQXNBOYCITJ-KEBDBYFISA-N 427.446 2.330 30 10 IEEE CCOc1cccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c1 20920578 WOZVPURWOLFNAS-ZVBGSRNCSA-N 443.537 2.345 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1 25989488 XWRVJYKZIDUBKN-UHFFFAOYSA-N 448.932 2.307 30 10 IEEE Cc1ccc(-n2c(=O)/c(=C\c3c(F)cccc3Cl)s/c2=C(\C#N)C(N)=O)c(C)c1 105752310 ODUIAXWYJLPOAQ-VBMNPBPXSA-N 427.888 2.297 30 10 IEEE COC(=O)[C@@H]1[C@H](O)C2=CC(=O)CC[C@]2(C)[C@]23O[C@@H]2C[C@@]2(C)[C@H](CC[C@@]24CCC(=O)O4)[C@@H]13 256979527 DDHQRXOAZNEFKY-FMVHJYPKSA-N 430.497 2.095 30 10 IEEE in-vitro Cc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(O)nc(=O)n3C)cc1 263628469 IZBRHESSCUCOFQ-KRWDZBQOSA-N 448.483 2.030 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)ccc1C 446136193 JBWQCYBJBSGSAN-UHFFFAOYSA-N 449.507 2.137 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482559786 PGHNGZCAEJNTLG-AWEZNQCLSA-N 427.551 2.140 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)CC2)cc1 502487129 KPXGQZSPVBLZHZ-UHFFFAOYSA-N 435.484 2.239 30 10 IEEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(Oc2ccc(C#N)cc2)CC1 507847486 NQQKRDKMQVJBCK-OAHLLOKOSA-N 428.514 2.076 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 508801735 NDWFVPNQVABLLT-UHFFFAOYSA-N 433.578 2.336 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511418045 ZSGBALSDCLOXHZ-ATKRNPRHSA-N 440.592 2.455 30 10 IEEE C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCN(c2ncccc2C#N)CC1 524450912 NGEURQCVQGQZGQ-HXUWFJFHSA-N 432.572 2.245 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 525266078 LDZHQZRKWLTRAA-UHFFFAOYSA-N 426.457 2.108 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3)c2=O)c1 538496522 NZYAIQUMQJIDCE-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)CC2)c1 541087417 QUERWDNZZBGBOA-UHFFFAOYSA-N 442.273 2.009 30 10 IEEE N#Cc1ccc(NCC(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)nc1 557880689 FSOBDIVFRSTKNB-UGKGYDQZSA-N 432.455 3.072 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 558981100 VIPHLPKYPPLEMC-LJQANCHMSA-N 437.552 2.044 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)C1=O 561999585 NICPRYYZGXINMI-ZWKOTPCHSA-N 447.557 2.284 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3F)c2=O)n1 569900372 UTHWOMJPRILSSS-UHFFFAOYSA-N 435.480 2.314 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(F)c1 586863463 NQYCVRUARRWOMC-UHFFFAOYSA-N 442.454 2.082 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@H]3Cc3cccc(F)c3)CC2)nc1 587647189 GJYGLKQRLRUKKZ-NRFANRHFSA-N 435.503 2.411 30 10 IEEE N#CCN1CCC(NC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 611544561 WCHBMFMWQPKWTG-QGZVFWFLSA-N 427.553 2.415 30 10 IEEE C=CCn1c(COC)nnc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 669816183 DBEQZJVIHPSENF-UHFFFAOYSA-N 445.467 2.140 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1ccccc1 729538076 NDTCBKPMHYVSEX-HKUYNNGSSA-N 429.542 2.004 30 10 IEEE CN1CCN(C(=O)CC2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC2)CC1 732204461 WIQKQCVQHLWJDE-SFHVURJKSA-N 439.585 2.349 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 739836182 CLAHEDUZWIDAMV-RTBURBONSA-N 435.576 2.205 30 10 IEEE C#CCN(Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C1CCCC1 756911519 MEPCJBQLSLQJES-UHFFFAOYSA-N 430.574 2.455 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(F)(F)F)cc2)c1=O 758061459 FLBJYZANHNYMJU-UHFFFAOYSA-N 446.450 2.356 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)cc2)C1 760299056 IGPCJICOHJJWEM-ZWKOTPCHSA-N 443.573 2.399 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 764739518 CQKPPSUOBUMADP-RHSMWYFYSA-N 441.492 2.285 30 10 IEEE CCn1c(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cc(F)ccc21 767628068 OZEWPGIGDFYFSB-ZDUSSCGKSA-N 430.461 2.477 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C2CCN(C(=O)CCOC)CC2)C1=O 767722791 SIRCATYUGSRNFT-GOSISDBHSA-N 446.573 2.090 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCO4)c2=O)s1 772921394 GYTORJCBICTMKI-UHFFFAOYSA-N 436.518 2.309 30 10 IEEE C[C@@H]1C[C@@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCO1 776515121 HHIWKMNWGZBGOS-GJYPPUQNSA-N 433.530 2.324 30 10 IEEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)c3ccc(OCC(F)(F)F)nc3)CC2)cc1 781545538 ZXHPFVJPIYTRJG-UHFFFAOYSA-N 425.388 2.431 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc2c(c1)OCO2 783042472 PAVXLRITIZVSLT-AWEZNQCLSA-N 427.404 2.439 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)n1 789144450 OGQSDNXJRZDPHQ-IBGZPJMESA-N 427.480 2.009 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCF)C1=O 797815105 LQGPINSMVOYYTP-OAHLLOKOSA-N 425.917 2.181 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCCC2(F)F)cn1 807935869 HXCOJDZUIXAYEX-CABCVRRESA-N 442.536 2.090 30 10 IEEE C#CCN(c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 809908429 RIFSJDFLZUXSBJ-AABGKKOBSA-N 426.542 2.336 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1 839095130 FHKARKAOLZNCCC-UHFFFAOYSA-N 442.500 2.027 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1127913001 MISVRICMWWAALC-KKSFZXQISA-N 426.477 2.492 30 10 IEEE CC(C)(C#N)CNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1154036725 BQTRRBGWZXFLEI-HXUWFJFHSA-N 434.496 2.435 30 10 IEEE CC[C@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)[C@H]1CN(Cc2ccccc2)CCO1 1223301342 HDGHAMZNCZIUHC-VQTJNVASSA-N 428.533 2.154 30 10 IEEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 1264280909 LFYIMNGJFSPCLJ-OAHLLOKOSA-N 427.457 2.292 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)(F)F 1286371374 OFARGELBWHDJGK-UHFFFAOYSA-N 430.228 2.456 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1286391439 DKOIKKGTPJRIGY-OAQYLSRUSA-N 443.617 2.357 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCCn1ccnn1 1286461261 WKDXYAHAAHTCEY-UHFFFAOYSA-N 444.337 2.475 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1286531050 GZWYJXLOHMJEAD-CYBMUJFWSA-N 440.346 2.298 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286533489 HPKFKXCJKFJPIS-GFCCVEGCSA-N 435.282 2.429 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccnn1C)C1CC1 1286546414 JAHPXAUFPXMAKL-QFBILLFUSA-N 427.553 2.300 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286709426 TXXYQFSPJCHDPZ-GOSISDBHSA-N 436.520 2.070 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286719947 OCDPXSDTNGYDMN-MRXNPFEDSA-N 435.550 2.009 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC 1286749347 PZFDCHLAJCUCEZ-MRXNPFEDSA-N 425.580 2.323 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286829353 CTMKHNWFRJJCPK-LJQANCHMSA-N 442.589 2.395 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OCC 1287775357 AIUUPDJAVYLJEH-GFCCVEGCSA-N 443.934 2.102 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)N(C)C 1288614166 AMRFUTHWXDGWAI-HXOBKFHXSA-N 434.548 2.252 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cn(C3COC3)nn2)cc1C 1289721748 QJZNSJQHHFSKDS-INIZCTEOSA-N 449.519 2.097 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@]2(CCCOC2)O1 1291217714 HDLYEEZOIYJMKM-HXOBKFHXSA-N 438.532 2.069 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CC1 1293713322 TUJNJRMCZCVTNH-UHFFFAOYSA-N 427.526 2.277 30 10 IEEE CN1CCN([C@H]2CC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1296788782 SFDRJUJLQMLXAJ-OYRHEFFESA-N 432.609 2.312 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1300040808 DDMOCFJUUDGKCD-QGZVFWFLSA-N 426.374 2.074 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCn1ccnn1 1300303397 IMNRWTXZAPOFGT-QGZVFWFLSA-N 445.531 2.376 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2nsnc2c1 1300512432 PUPIRSWSIDUIPC-QFIPXVFZSA-N 436.541 2.445 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CCOCC1 1300512601 ZDPBXGAJIMOIHR-QGZVFWFLSA-N 429.471 2.340 30 10 IEEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1300629569 ZFMHCYRPQQQTSV-QZQOTICOSA-N 440.454 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCc2nccs2)CC1 1300726456 LUVLCGZCEWMWKH-UHFFFAOYSA-N 449.584 2.319 30 10 IEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)NC)CC1 1300751801 RYHQNIPZOQMYDS-UHFFFAOYSA-N 435.557 2.321 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCSC 1300883448 AYWZIYROBGVYBS-ZACQAIPSSA-N 428.624 2.351 30 10 IEEE N#Cc1cccc(C2(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CCOCC2)c1 1300989173 HZUDJKNLBLJXTR-UHFFFAOYSA-N 425.510 2.435 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSCC(F)(F)F)CC1 1301065637 IBZOPMMPOBXOER-LBPRGKRZSA-N 427.518 2.340 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC 1301502301 FYZQFKGIKFVQLC-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)C[C@H]1CCCOC1 1301576653 GSXJBZMFVQMNOE-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCO)CC1 1303009343 IVYOWWAOQYOUJS-UHFFFAOYSA-N 427.505 2.245 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCCC1=O 1303635797 FGJRYIPKLUPCJL-SFHVURJKSA-N 449.559 2.310 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1303643304 SDOCMSFMJGCLDY-VQIMIIECSA-N 426.521 2.383 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCOCC1 1305466995 NKHCZWUVUITQCK-IAGOWNOFSA-N 439.564 2.295 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 1311359401 YNAYSHIINPNVRL-UHFFFAOYSA-N 428.577 2.311 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H]2CCCO2)C1 1325278970 OSRITLNIONWBQN-SJORKVTESA-N 436.516 2.152 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1358929712 GIDXHXJJYVHFHH-MSOLQXFVSA-N 449.602 2.427 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1358941751 WMZSUPNIMOTOIT-ZWKOTPCHSA-N 445.589 2.470 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OCCC)c1 1358978607 QIWHQEUFUBOGKU-FQEVSTJZSA-N 440.569 2.285 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 1359038815 LZSYUTNKOWVDHJ-NRFANRHFSA-N 447.992 2.134 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1359053111 BXSWDDXLHODXNN-UHFFFAOYSA-N 433.603 2.138 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359061234 WBMTZTHPISULHW-XLIONFOSSA-N 441.557 2.335 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2OC)CC1 1359165470 PQEBAKBPIPLMQX-KRWDZBQOSA-N 432.546 2.402 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359254727 BBMQJEMJUPPQPF-QFIPXVFZSA-N 446.573 2.296 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1359265567 ICGLPRKWANFRMD-VQTJNVASSA-N 427.597 2.410 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359328418 CUIYECVKMSKGBT-UXHICEINSA-N 441.557 2.423 30 10 IEEE Cc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C#N)N2CCOCC2)o1 1361138744 CDGSOKOOWCUSAI-VQIMIIECSA-N 438.536 2.249 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1465153855 DNJAJUABWRMQQU-GOSISDBHSA-N 447.605 2.146 30 10 IEEE Cc1ccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)cc1B1OC(C)(C)C(C)(C)O1 1468956799 XMDWVSSAJPVRMP-UHFFFAOYSA-N 448.375 2.474 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)nn1 1471521368 IYPGJAHVDUZHEO-UHFFFAOYSA-N 440.479 2.429 30 10 IEEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3c(CC#N)cccc3C2)C1=O 1473691539 WZLFYFKVQOHYTI-VWLOTQADSA-N 445.523 2.085 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)C1 1473794407 MLXCFAKJSCPTII-IERDGZPVSA-N 432.546 2.437 30 10 IEEE COCCN1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C#N)o2)CC1=O 1504914445 NMQZTUFRDPPXHU-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OC(F)F 1505083422 XRVFGJCUTCYXPB-BQFCYCMXSA-N 449.458 2.381 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507628954 QTGFTAXRQAZGSV-UKRRQHHQSA-N 439.994 2.372 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507629847 XBAJTWVEXJPVAB-FUHWJXTLSA-N 433.578 2.204 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507634607 OAPQSDSHDIOXCB-IBGZPJMESA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1OC 1507648473 OEBZTNLAUQYBDJ-XLIONFOSSA-N 430.512 2.080 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)CC1 1507884067 CQJBWPBPINSSTL-KRWDZBQOSA-N 437.591 2.186 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1508092030 OQKCTJYYZUIZOA-VFNWGFHPSA-N 428.562 2.341 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CC#N 1513767918 IEZCNEGALCTUHF-VKJFTORMSA-N 431.541 2.093 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(OC)ccc2OC)CCOC1 1516181797 ICXPSJFEPZDGBQ-YADHBBJMSA-N 445.495 2.438 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC(C)CC2)CCOC1 1516228885 OUHHUBOKYDOGEP-NZQKXSOJSA-N 446.596 2.171 30 10 IEEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1517016904 WJTTWDKXRUEKIU-OAQYLSRUSA-N 435.532 2.301 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1517042106 LNEIZROHOXNCDO-BWTSREIZSA-N 429.546 2.113 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)C1 1517662660 PNVYLIZOWFYDQP-PMACEKPBSA-N 439.516 2.402 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 1534257969 QEVAJVDTVXWPHM-NHCUHLMSSA-N 431.558 2.423 30 10 IEEE C#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 1537430190 ASNFVSWTIGEWRA-PXNSSMCTSA-N 427.482 2.486 30 10 IEEE C#CCN(CC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)C(=O)OC(C)(C)C 1538371850 PAXAUGPDBOCBAB-MRXNPFEDSA-N 442.516 2.079 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC(C)C)N(C)C 1539168450 XTLYOHYEELVRBG-KRWDZBQOSA-N 431.610 2.284 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1539266898 VCQIJHXKBYYZDU-IAGOWNOFSA-N 446.960 2.374 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)COC)CC1 1539462188 DGLVFJARYQZLCI-OALUTQOASA-N 446.596 2.388 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539984997 CNMFZDFECLUTCX-FUHWJXTLSA-N 429.546 2.030 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2COC)C1 1540881524 LMDGKSGQPGCSSY-HXUWFJFHSA-N 425.533 2.490 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(OC)c2)C1 1540890743 JKYNAXHKKKHWSI-PWIZWCRZSA-N 441.532 2.487 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(C)(=O)=O)C1 1540894755 DZBDBRMQAQIJRW-SFHVURJKSA-N 429.546 2.107 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1541154876 OTRWDSLWPMTFAU-OAHLLOKOSA-N 432.550 2.093 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CC1 1541205674 VBDRKVMTAUWXJZ-QGZVFWFLSA-N 446.552 2.241 30 10 IEEE CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1547018632 CWVMRZLSDRTFLA-QAPCUYQASA-N 432.550 2.138 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1548324116 RENAYUWGVQHESJ-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1554611126 BNCUDMSKNLNEFX-VQTJNVASSA-N 443.573 2.178 30 10 IEEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1555344888 ARPCCWUGIBOGBK-SFHVURJKSA-N 446.577 2.007 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(I)cc3N)C2)nc1 1556824595 MATMYHXEPWZJJX-CYBMUJFWSA-N 434.237 2.434 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 1557181838 IAOSNQSZAHPVJH-RVKKMQEKSA-N 435.546 2.051 30 10 IEEE C=CC[C@@H](CO)CNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1563053019 NWVQJEZQHINQPP-CYBMUJFWSA-N 425.327 2.034 30 10 IEEE N#Cc1cc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)cs1 1566338055 GSSFUJRRNOZIKJ-GFCCVEGCSA-N 428.251 2.394 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)c4ccccc4C3)CC2=O)cc1Cl 1567886429 FZXDLWUZHODVOQ-INIZCTEOSA-N 443.912 2.381 30 10 IEEE CC(C)[C@H](O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1585602165 PQHRWJCOTJSPES-RTWAWAEBSA-N 429.542 2.380 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)OC)c2ccc(C)cc2)s1 1587481684 AGFZGCHBVYDAND-KRWDZBQOSA-N 436.555 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1587662284 MIZWUPFYULFYNW-CVDCTZTESA-N 447.587 2.213 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@]2(N(C)C)CCSC2)c1 1587694036 ZQUDQJIAOGAFIE-JOCHJYFZSA-N 426.590 2.334 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 1587973614 ZQNLYPMRLJSETP-QGZVFWFLSA-N 437.972 2.486 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1587979489 RUGWOILKEABMMG-UHFFFAOYSA-N 433.516 2.456 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)N1CCOCC1 1588619748 DKEBNINARVSFIP-JOCHJYFZSA-N 434.544 2.433 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2c[nH]nc2C)CC1 1588923642 HIPPTZRFEMWYRC-UHFFFAOYSA-N 446.559 2.279 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1594569123 ZERURVMWBRRJGI-IBGZPJMESA-N 439.564 2.440 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCCCO3)C1 1595665116 PITDUMSBWDJBLC-SFHVURJKSA-N 441.532 2.407 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595905014 AKBJGGTWUBJAPU-BMFAXAFESA-N 435.594 2.169 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1596702998 LRHXAVWUSSKJQE-HNNXBMFYSA-N 449.481 2.416 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)CCO2)cc1 1598186211 QYVIXOGVEJICIZ-HKBOAZHASA-N 439.512 2.440 30 10 IEEE C#CCCN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 1598458127 VTCLFFQXVVFGDP-UHFFFAOYSA-N 428.577 2.181 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(C)C 1615883975 LPPJTCMHBQOZEK-CYBMUJFWSA-N 426.447 2.141 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1619814039 PABOQQBQSVKNAV-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE COCCCNC(=O)CN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1625786258 DKVTYTAQQVKOIC-HXUWFJFHSA-N 444.532 2.004 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC3(c4ncccn4)CCOCC3)CC2=O)cc1Cl 1626589912 IOJQRGPBEYYUFW-OAHLLOKOSA-N 425.876 2.177 30 10 IEEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1627286373 XFSVOBCOIOHHQC-LLVKDONJSA-N 444.303 2.432 30 10 IEEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1628217389 QWMFAMOGZMYVQH-UHFFFAOYSA-N 449.511 2.191 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1 1632228832 UZKTUDZFALNYSO-UHFFFAOYSA-N 447.536 2.267 30 10 IEEE C=CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1632373726 QGVJXSVDELJBCK-IBGZPJMESA-N 433.574 2.114 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)cc1 1632380877 RPLFXJXVKMBDBC-NRFANRHFSA-N 443.569 2.090 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 1635120806 BFNSDMMRLGOGNX-OAQYLSRUSA-N 429.498 2.005 30 10 IEEE C#CCN(C(=O)NCCc1ccc(Br)cc1Cl)[C@H]1CCS(=O)(=O)C1 1635717792 DBEMYQSOXFHLSM-AWEZNQCLSA-N 433.755 2.477 30 10 IEEE C=CCNC(=O)CNC(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1638879661 CMHDZTZIDGBJLC-GAJHUEQPSA-N 444.532 2.491 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(N3CCNC3=O)ccc2C)s1 1639564728 GIVLGTHSMGUDRD-UHFFFAOYSA-N 434.543 2.232 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)ccc1C 1643869061 PTPAXEDUFVLANS-UHFFFAOYSA-N 442.541 2.009 30 10 IEEE CCCn1c(=O)nc(O)c2c(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc(C3CC3)nc21 1644583027 HGUCQKZAJVOOFE-IBGZPJMESA-N 447.495 2.462 30 10 IEEE C=CC[S@](=O)(=NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccccc1 1648459269 WPLQOJFVPBFJPT-GDLZYMKVSA-N 449.554 2.024 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(C)c1OCc1cccnc1 1653070292 XPXLKUATVATKKW-SIKLNZKXSA-N 425.510 2.288 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3c(cccc3C(N)=O)C2)cc1 1667955815 FRDIJYIOVHQWHL-UHFFFAOYSA-N 428.514 2.182 30 10 IEEE CN(C)CCCOc1cnccc1CNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1673273262 YPIMFVNKAIZLTB-HXUWFJFHSA-N 437.548 2.465 30 10 IEEE CC(C)(CCC#N)CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1683084840 ZSZZJVNVIWZBQF-UHFFFAOYSA-N 442.305 2.243 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ncc(Br)cn3)C2=O)cc1 1686084774 SPOUEZMWBXGDLQ-HNNXBMFYSA-N 429.278 2.106 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)on1 1687177348 JVVXYSCHRTXQIF-OAHLLOKOSA-N 433.472 2.432 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1689914863 HJEXCFSEWOOBDY-OAHLLOKOSA-N 431.338 2.271 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCOCC1 1690011872 HCZORBOCMYBRJE-UHFFFAOYSA-N 426.524 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1690033264 UJGDCZKLRNPDHW-INIZCTEOSA-N 449.964 2.084 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690167508 KMYPEHRVADBPQM-MRXNPFEDSA-N 428.537 2.491 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1690232212 CVKDIRPGTLKVDV-UHFFFAOYSA-N 436.358 2.140 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690491874 KAIMXOXFZLMPDM-HNNXBMFYSA-N 437.591 2.249 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1693682317 GDNHRSVYCYKKJA-SFHVURJKSA-N 444.605 2.420 30 10 IEEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1696782664 HNOPQZHYWQAJCM-UHFFFAOYSA-N 444.586 2.449 30 10 IEEE COc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1697491195 BIISLCFYTIURFK-UTKZUKDTSA-N 428.468 2.149 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1705492373 PRCFUHKSZGKNSF-KSZLIROESA-N 433.553 2.266 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H](C(C)C)N1CCOCC1 1705556554 CWKTUKJLDHNUJN-IBGZPJMESA-N 427.549 2.292 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705559651 AGNQEPMEWPWMNF-FCHUYYIVSA-N 441.601 2.359 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1705612656 LQKXSJIQZHOLAD-QGZVFWFLSA-N 432.546 2.117 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1cc(C)oc1C 1705630336 PFLZEGMPAYPRNG-QHCPKHFHSA-N 440.548 2.343 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C)COC)CC1 1705636503 MRICGKQUPYZEJB-SFHVURJKSA-N 427.549 2.390 30 10 IEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCNC(=O)C(C)C)CC1 1705641487 HURAESCMQJKFMI-UHFFFAOYSA-N 447.587 2.199 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705683793 DNJSAOTVTDKIQH-CHWSQXEVSA-N 425.283 2.115 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CC1 1705877988 GUUCXMLSTUMWRC-SSEXGKCCSA-N 431.562 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705936099 JXAHTSWFRDMARV-RTBURBONSA-N 438.594 2.026 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1706231695 FHUJYGJUJMDYMI-UHFFFAOYSA-N 449.515 2.442 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)cc1 1710325517 TWBVEMBXKSCBBS-UXPWSPDFSA-N 440.548 2.396 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1(C)C 1712089153 IZQKKEVBCAXDRP-QUZZAMIASA-N 441.532 2.130 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1 1712702065 FKXDISZYYWQHLS-LJQANCHMSA-N 429.546 2.114 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(CCO)CCOCC(F)(F)F)o1 1712881389 RVBQPQHHFDYXTR-MRXNPFEDSA-N 443.426 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1722276370 ICRSVOZBEWBXRO-QKLQHJQFSA-N 446.621 2.212 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC=CO2)c1 1722305735 LIZBKAGWWZPXRP-LJQANCHMSA-N 436.516 2.165 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2c(C)cccc12)[C@@H]1CCS(=O)(=O)C1 1722369106 YNWBMEPZEPFQQN-GOSISDBHSA-N 425.558 2.500 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)N(C)CC)CC1 1722434874 YPFZDZQIPFSRGO-UHFFFAOYSA-N 435.359 2.485 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722461845 HILAGLPFINORLS-SFHVURJKSA-N 446.646 2.159 30 10 IEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)CC1 1722483292 BNMURMREINMDTI-UHFFFAOYSA-N 426.265 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1722695552 HWIMLECIINIBTM-GOSISDBHSA-N 435.536 2.095 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)cc2C)CCOC1 1728814851 AFQCMQXEAZWCOS-NZQKXSOJSA-N 440.548 2.082 30 10 IEEE COCCCN(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1730692038 XYABEAYRPYOYTE-KNQAVFIVSA-N 444.511 2.201 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCC(F)(F)C2)cc1 1731184693 HMYIZGTVRYLXQA-INIZCTEOSA-N 430.459 2.490 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1OCCOC 1740556672 FKXJQLWNCNGMAF-SFHVURJKSA-N 425.533 2.240 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740570546 GQWWLESGFGEGFX-UHFFFAOYSA-N 431.544 2.373 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740572077 ZNHMNNQTFSHVAZ-QFIPXVFZSA-N 431.544 2.394 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740623459 UORNCCHLCMRHEO-VQTJNVASSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOc2ccccc21 1740639624 DOLVKBYXJPCROC-MOPGFXCFSA-N 438.553 2.209 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC)C1 1740668904 DOMHVVAMISXXRE-KRWDZBQOSA-N 429.594 2.040 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1 1740736480 RXLRMTDPRJVYTE-IBPRQYQWSA-N 445.608 2.351 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1740744922 IDAFOENAPHRYPE-LBPRGKRZSA-N 446.396 2.490 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)CC1 1740759444 IUKKOLRIAOHEOL-VFNWGFHPSA-N 431.487 2.455 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740873178 JVKPRTCMMAEHSJ-GOSISDBHSA-N 440.596 2.214 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740883066 HWJBBZFMBQYFPR-UHFFFAOYSA-N 440.548 2.112 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740890928 MIBSQTRUZMOIHF-BBWFWOEESA-N 426.631 2.267 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1740965430 OZEGEMWKYLXHBR-JOCHJYFZSA-N 435.569 2.016 30 10 IEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1741605743 PEKWVWQKAYORHO-BGYRXZFFSA-N 426.521 2.021 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1)N(C)C 1741862959 NDPCCDFBOMMBHT-HKUYNNGSSA-N 435.536 2.112 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748677046 BITPFWQUIWOLMB-SJLPKXTDSA-N 436.482 2.375 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1748752424 WTUMBWNMRPIPTE-QFBILLFUSA-N 432.546 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@H]1C 1748846907 MDSNRCFENQYZJS-TZIWHRDSSA-N 433.560 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ncn(-c3ccccc3)n2)CC1 1749004470 JQGJSRMPSFZYGE-GOSISDBHSA-N 446.559 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)cn2)CC1 1749009023 FCBYWVDZFDLJMR-IBGZPJMESA-N 426.496 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCCC)nc2)CC1 1749015755 MDYNFJUCNSHCDM-UHFFFAOYSA-N 436.560 2.429 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccccc2)CC1 1749034315 ZNOCSSBUCQGXDE-HXUWFJFHSA-N 438.601 2.308 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749240147 TXPZGKMCFFOXIE-IBGZPJMESA-N 440.548 2.280 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1749424853 PXPJHTZURNKGST-INIZCTEOSA-N 437.548 2.459 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749671915 NSZQMXQPJCMQHW-ROUUACIJSA-N 442.951 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](OC)C1 1749725070 NWBVSAHPDZQNEC-CRAIPNDOSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccs1 1749730404 CFPHHRLNQHLKDH-UHFFFAOYSA-N 449.558 2.305 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2F)CC1 1749752027 HHKWARBRWOJUGQ-UHFFFAOYSA-N 428.541 2.459 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C1 1750083540 SSXRYBBEHANIMA-JPYJTQIMSA-N 425.533 2.467 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1750914170 FOGHZFZWOZGCLR-IBGZPJMESA-N 432.532 2.383 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H](C(F)(F)F)O1 1752311514 CHGNLAOHADCZAA-CZUORRHYSA-N 436.438 2.451 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)[C@@H](C)CC 1760165378 QEOZBDMJLIVCKU-BTYIYWSLSA-N 432.594 2.413 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1760188523 BKJUMPJMHDFZLA-OALUTQOASA-N 445.614 2.034 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1760202586 HVZWCNFQMXUSBE-VQTJNVASSA-N 439.585 2.380 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC(F)F)c1 1760224220 CAKMECKBXLXFCV-UHFFFAOYSA-N 427.415 2.430 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760493169 VKASNAGSIHQHGJ-UHFFFAOYSA-N 429.525 2.151 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)C1 1760595783 JALTYPWSCJXWDU-INIZCTEOSA-N 437.548 2.369 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCN2CCOCC2)CCOC1 1761283597 QPQTZQFQWICBKQ-HSZRJFAPSA-N 446.596 2.171 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccc(C#N)o1 1764181117 KRZILYNBRJESCL-UHFFFAOYSA-N 427.553 2.487 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCCN1CCCC1 1764919889 QTUBQUMYTCZTLF-IBGZPJMESA-N 437.596 2.483 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1767621842 HKARSHDVNPUSOZ-HSZRJFAPSA-N 438.532 2.474 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H](C)C#N 1768280993 LAYCVZKBSCRECF-INIZCTEOSA-N 441.561 2.419 30 10 IEEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CC2)cn1 1769017147 ACGYEMZVVINXNJ-UHFFFAOYSA-N 442.474 2.159 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1c(O)nc2ccccc21 1769996524 YMPNTOCVERCUSL-YCRPNKLZSA-N 443.483 2.200 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1771351082 IACXLUVEDUVBGE-FQEVSTJZSA-N 443.573 2.332 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)C1 1771528609 CHNFRSXIIZJXNL-GCJKJVERSA-N 426.496 2.321 30 10 IEEE CS(=O)(=O)Nc1cc(C(=O)ON2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1 1772792988 RJSUHUCYTZIVAY-UHFFFAOYSA-N 428.344 2.445 30 10 IEEE CC(=O)N1CCN(CC(=O)N(Cc2ccccc2)c2c(C#N)c(C(F)(F)F)nn2C)CC1 1851129883 CXTRTDAKAYOGMS-UHFFFAOYSA-N 448.449 2.008 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)n1 1851566355 OKMUDSFDKMIREI-QFIPXVFZSA-N 438.491 2.394 30 10 IEEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 1853421026 SGPXAPQTPFPKRE-UHFFFAOYSA-N 438.528 2.485 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)C2=O)CC1 1857084051 ZKYLIBAJDIUNHW-SFHVURJKSA-N 427.867 2.309 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(-c3cccs3)on2)C1)[C@@H]1CCN(C)C1=O 1857239548 CMCUBBMUNWVUFE-GDBMZVCRSA-N 428.514 2.111 30 10 IEEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870107397 HRHDVMLCXFCXKJ-UHFFFAOYSA-N 432.415 2.352 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870560081 GHAUCZJWJSBJKZ-ROUUACIJSA-N 443.569 2.034 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(CC)CC1 1870732709 UFJPDMKOHQYUFZ-UHFFFAOYSA-N 428.508 2.328 30 10 IEEE C=C(C)CSc1nnc(CNC(C)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874433592 XRZZDUAKYCDUHJ-DNTJNYDQSA-N 432.462 2.144 30 10 IEEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1cc(Br)ccc1O 1874498784 FLJFQSBKLOLPJH-UFWORHAWSA-N 442.339 2.393 30 10 IEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CCC5(CC4)C[C@H]5C#N)C3)sc2c1 1891039985 JIYWZDQIZUNDTE-AWEZNQCLSA-N 430.555 2.288 30 10 IEEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)cc1 1891363113 YIDKSDBYBNYRKA-UHFFFAOYSA-N 435.463 2.030 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)O 1914795534 VPNWZCFTCOOIPS-NYVOZVTQSA-N 436.512 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060641750 MNKFIHNMUQMYJS-ZOFXXKQRSA-N 436.358 2.467 30 10 IEEE CN(C(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523066 AXAZGRPMIYXWQJ-ZWKOTPCHSA-N 446.353 2.488 30 10 IEEE Cc1sc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2247802201 NQRXQBLSUSSAFV-UHFFFAOYSA-N 432.273 2.167 30 10 IEEE CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248395315 JTENOTWOGLJDJG-GFCCVEGCSA-N 440.375 2.281 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCO1 2254801308 RCKPSITZIMDQFW-WBVHZDCISA-N 433.358 2.499 30 10 IEEE Cc1c(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255528996 GXGXAZLBVFKCKU-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2255602482 SXFSZQXFORLRDQ-UHFFFAOYSA-N 431.342 2.183 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255646397 VVHLVRJHJRMDAJ-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2255647976 GUNREQCRFSORMA-KBPBESRZSA-N 432.330 2.248 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256671189 OWEGLUDHRDPHAH-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256680064 QRQNNRUCYLFSJP-OAHLLOKOSA-N 438.305 2.339 30 10 IEEE Cc1c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997387 UGMAHLRHDPJZLT-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267129955 IGNXBMQRAOBDIM-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267135048 XZHSMDZSSIYVBX-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139290 DOXGLNGAYMFUSJ-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cc1ccnc(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267152670 SHFRGIKEHJUNQC-UHFFFAOYSA-N 437.349 2.420 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 2267181552 UCNKUCCWQXJGNE-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2267267248 VNENOVVONZUZRR-IYBDPMFKSA-N 443.353 2.320 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267537776 ROFDSFBEAMCPAW-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CON(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2267728980 CWUNYMAQVAYNLH-UHFFFAOYSA-N 448.325 2.314 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268634652 ZVNXOEVJKZNJQT-INIZCTEOSA-N 446.353 2.104 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)C1 2278802862 YZCUDQAROYJBKA-BBWFWOEESA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@@H](N)C#Cc1ccc(Br)cc1 2278814705 VSLXZAMLFKBDMA-JKSUJKDBSA-N 443.363 2.066 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)nc2)OC1(C)C 2282026490 ZJQSZNVRTFYMDY-HMXCVIKNSA-N 448.376 2.416 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)C1=C(O)c1ccc(Cl)cc1 2296573938 FTLAPWGSXZKGEK-IBGZPJMESA-N 427.888 2.489 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@]1(C)COC 2301111516 RJDKGGMLMHGZHL-IUODEOHRSA-N 427.361 2.229 30 10 IEEE Cc1c(C(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)c(O)n(C)c(=O)c1C#N 2314625177 IRSYCDMMLDTGCN-UHFFFAOYSA-N 431.520 2.417 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2315696767 ISWBJCIMACOYCQ-QEJZJMRPSA-N 449.382 2.428 30 10 IEEE C[C@@H](C#CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)NC(=O)OC(C)(C)C 2318687833 LLIPNMPRDWVBHZ-ZDUSSCGKSA-N 449.744 2.311 30 10 IEEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2sc3c(c2c1=O)CCC3 23405488 FPMPYSLZGWOYKO-GFCCVEGCSA-N 446.598 2.350 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1 102737045 VSMIDZVEFSJVQX-SADKCHQCSA-N 438.480 2.450 30 10 IEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)c1 102748777 DSICMSDCDKFJBU-HQMFNGAOSA-N 428.489 2.027 30 10 IEEE C#CCN(C(=O)c1cc(Cl)ccc1I)[C@H]1CCS(=O)(=O)C1 221946927 WUWSOCSFXOHBQO-NSHDSACASA-N 437.686 2.207 30 10 IEEE O=C(O)COc1cccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 254481683 HJDPCRVWGWEOCG-UHFFFAOYSA-N 449.471 2.361 30 10 IEEE CCOC(=O)[C@@](C)(NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(S(C)(=O)=O)cc1 430275045 SPCXRDCGYIFNHZ-NRFANRHFSA-N 447.513 2.178 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 433707165 LTYHLAQCWKGVIZ-OAHLLOKOSA-N 428.493 2.333 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)n2)cc1 437032580 LOCQESBCVRCDMQ-IZAXUBKRSA-N 434.887 2.852 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cn1 462080382 LNSBRCBYGINVIO-FQEVSTJZSA-N 429.484 2.494 30 10 IEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 467512386 OIVCUUCRYMATRH-UHFFFAOYSA-N 429.498 2.198 30 10 IEEE N#CC1(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CCN(Cc2ccccc2)CC1 482660022 QAXPXXAGWIAZTQ-UHFFFAOYSA-N 434.544 2.230 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@H](NC(N)=O)c2cccs2)cc1 502442583 QDKDJPJFFOCYSU-GJZGRUSLSA-N 429.527 2.259 30 10 IEEE CCOC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 506928464 HXDLKSJLQLHBSZ-UHFFFAOYSA-N 442.497 2.273 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 508829751 VJCKEGBCHIOHGV-UHFFFAOYSA-N 439.545 2.410 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1C 517985938 ZWISTSKYXJOCJG-GOSISDBHSA-N 440.565 2.442 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)Cc3ccc(C(=O)OC)o3)cc21 526898123 OGKXNUJGYFFZOD-OSXTUODASA-N 431.466 2.498 30 10 IEEE C=CCN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)[C@H]1CCS(=O)(=O)C1 541574715 MXFWZOVBNWJKAC-LBPRGKRZSA-N 425.304 2.106 30 10 IEEE CCOC(=O)c1cnn(C2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)c1C 557337464 PEZLJABWIDQVFP-UHFFFAOYSA-N 447.499 2.485 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 558337076 HPMLEAPLZJJEOQ-HUUCEWRRSA-N 425.580 2.331 30 10 IEEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-c4cccnc4)ccc3=O)CC1)CCCC2 585587969 BRMHFSRMONTEKE-UHFFFAOYSA-N 441.539 2.273 30 10 IEEE COc1ccc([C@H](CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)NC(C)=O)cc1 603591596 VUMIOLCUTHFTFG-IBGZPJMESA-N 437.500 2.348 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603800115 USWBIZHQPCEOMZ-UHFFFAOYSA-N 448.504 2.143 30 10 IEEE C=CCn1c(COC)nnc1N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 669804034 LSTMJBPHUCLXLT-UHFFFAOYSA-N 438.454 2.390 30 10 IEEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(Cc2ccccc2)c1=O 726179012 SQTLZYPWMPPYFO-UHFFFAOYSA-N 434.565 2.427 30 10 IEEE COC[C@@H](C)n1c(SCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)nnc1-c1ccccc1 732650915 MAOAVLNDMKGJRA-VQIMIIECSA-N 440.573 2.443 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 733785356 XCOQIWQZUBDKNG-FDDCHVKYSA-N 446.507 2.459 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)CC2)o1 745226840 AJXRQDQSMJCLIT-ZBFHGGJFSA-N 430.411 2.128 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 750173394 BSRJHVYKCDCVBP-VHSSKADRSA-N 449.454 2.293 30 10 IEEE C[C@H](CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 762549659 UICSSYLZHROEII-IEBWSBKVSA-N 440.569 2.237 30 10 IEEE COC(=O)c1ncsc1S(=O)(=O)Oc1c(Br)cc(C#N)cc1OC 765138439 KJKPQBQNJBSNNW-UHFFFAOYSA-N 433.261 2.340 30 10 IEEE N#C[C@@H](COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 771594668 FIJFZOBIDFKENN-HNNXBMFYSA-N 435.433 2.328 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1)c1cc[nH]n1 772150488 CIAWOMQIDSJGAG-INIZCTEOSA-N 439.516 2.136 30 10 IEEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 774164804 UBSLUILSLURVKD-FQEVSTJZSA-N 425.510 2.271 30 10 IEEE CC(=O)N(C)c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 786316643 QTNQIADCCORQPL-OAQYLSRUSA-N 449.467 2.249 30 10 IEEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786682847 KHNVLXYNZAKMMN-SFHVURJKSA-N 449.598 2.338 30 10 IEEE Cc1cc2c(cc1C)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 796241411 UGTNUEATFJGYTE-UHFFFAOYSA-N 438.553 2.071 30 10 IEEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)C[C@H](CC#N)c2ccccc2)cc1 796780924 BRZCVYKOBXMPHH-KRWDZBQOSA-N 439.497 2.287 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@](CO)(c2ccccc2)C1 801473496 AUJIULYRWBRMKD-QHCPKHFHSA-N 441.553 2.058 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2)CCN1C1CC1 802323886 PDYVPKYGGGXKTJ-FQEVSTJZSA-N 442.527 2.345 30 10 IEEE Oc1ccc(Br)cc1C=NNc1nc(SCCN2CCOCC2)n[nH]1 1084350414 DMIACGJWXVOVDH-UHFFFAOYSA-N 427.328 2.143 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=C(C)c3ccncc3)n2)cc1 1084574441 AABURFNUKYGUKM-UHFFFAOYSA-N 425.518 2.495 30 10 IEEE C[C@H](C(=O)Nc1ccc(C#N)cc1I)S(=O)(=O)C1CCOCC1 1133744699 VLNIDZYEZBZUKE-SNVBAGLBSA-N 448.282 2.084 30 10 IEEE CN1CCCC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 1136303956 NDWXJKZQQXJSMI-KYLWWAFNSA-N 434.562 2.477 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1138108337 MDAUTSRBYCEWMH-XHSDSOJGSA-N 440.541 2.180 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)C2=O)cc1 1138181484 VDEZDTWZDYXOPB-ZACQAIPSSA-N 425.407 2.154 30 10 IEEE C#C[C@H](NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)[C@@H]1CCCO1 1138446318 IORSOKXUPHCNAJ-IHRRRGAJSA-N 439.463 2.308 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1142422847 OQMZOQZQFWRFEU-WJMWBRGCSA-N 443.569 2.162 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(C#N)CC4(CC4)C3)CC2)cc1OC 1147372189 DRJIWCXZKKAKTC-UHFFFAOYSA-N 433.530 2.057 30 10 IEEE C[C@@H](CC(=O)N1CCC(c2ccc(F)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1149403941 NLAXSDNANQCBJC-AWEZNQCLSA-N 430.505 2.444 30 10 IEEE CCCc1c(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)cnn1-c1cccc(C#N)c1 1154625885 ITZKITOWZJZHRT-UHFFFAOYSA-N 438.532 2.444 30 10 IEEE C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc2N1S(C)(=O)=O 1156248055 XBYSYUPTSHVMLC-HNAYVOBHSA-N 439.541 2.381 30 10 IEEE C#Cc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)c1 1161804213 SGSUADFVQYDQOS-FQEVSTJZSA-N 428.510 2.014 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C(=O)OC 1171470775 UJCPLSSRYAARBG-QGZVFWFLSA-N 446.481 2.454 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](c1ccc(Br)cc1)c1nccn1C 1192764170 FEROMEMHXDJXRB-SWLSCSKDSA-N 426.340 2.198 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CO)Cc2ccc(F)cc2)cc1Br 1211719232 CXOUZBMNZAJAMK-CYBMUJFWSA-N 431.258 2.481 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286365853 LFJTVGVSKPXMOS-OAHLLOKOSA-N 447.561 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OCCOC 1286407903 VMTQAPWXEWLNBR-UHFFFAOYSA-N 447.495 2.152 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCSC1 1286422005 IETGFZINTQLKAV-LJQANCHMSA-N 448.390 2.377 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1286448585 YNHZVLQTLMHCOA-KRWDZBQOSA-N 430.509 2.391 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(C)cc1 1286467410 PINCLQCJRRLJFO-QUCCMNQESA-N 430.574 2.378 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccncc2Cl)CC1 1286473623 VFJMHGUUBFVLRW-QFIPXVFZSA-N 444.967 2.171 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286629497 QPWLIJRGUDFUSA-MRXNPFEDSA-N 433.944 2.358 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC)CC1 1286651724 JJWQNUYBTBYMQD-HNNXBMFYSA-N 434.566 2.133 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1286709735 CROBRPRJFAROIX-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286716927 UEGPKMSLCBULDA-LSDHHAIUSA-N 431.459 2.227 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1286776683 QWVCQBXYVFQZKH-UHFFFAOYSA-N 444.967 2.441 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCCO1 1291279149 JERZFDJWLFOHKC-VGSWGCGISA-N 427.505 2.149 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300506210 PCYAMGCOCKRZFO-PKOBYXMFSA-N 432.521 2.138 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Cl)c1 1300578607 NECAXXYRWXRJAX-KRWDZBQOSA-N 446.960 2.353 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)CC 1300647650 HUSUNQQDXBTFIJ-LJQANCHMSA-N 449.552 2.238 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1CCCCO1 1300656788 CNNAFNLKSZVWSV-IBGZPJMESA-N 446.573 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300691207 ZYOFFWWVHJQIGA-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ncc(CC)s2)CC1 1300725673 JBWCVWRJKCWNLC-QGZVFWFLSA-N 442.589 2.205 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C 1300895930 CFJGIGVGUGJJES-AQNXPRMDSA-N 444.624 2.300 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1301370824 JUZXEHCVQYFAPC-NRFANRHFSA-N 431.924 2.191 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1Cc1ccc2c(c1)C(=O)NCC2 1301806257 ADRLYUZMBDPONI-UHFFFAOYSA-N 445.527 2.349 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301969216 VPEMHKMGNPAAKJ-JKSUJKDBSA-N 434.541 2.062 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccn3)CC2)n1Cc1ccc(C#N)o1 1302085468 SWRXAQAWAPIMCU-QGZVFWFLSA-N 437.504 2.237 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(C(F)(F)F)c1 1303366959 FMYDRJKSODJAOZ-KRWDZBQOSA-N 425.390 2.320 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1nccs1 1303809245 HEIGMNKRRAOMIE-CQSZACIVSA-N 445.574 2.096 30 10 IEEE CCCCn1c(N)c(N(C)C(=O)Cc2ccc(Br)cc2C#N)c(O)nc1=O 1349401828 NLJNIXKKSIVRGP-UHFFFAOYSA-N 434.294 2.171 30 10 IEEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1349704250 OIQCOGDXTILXLD-UHFFFAOYSA-N 437.587 2.003 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1358887207 RLXLWXVNEPLPHJ-IAGOWNOFSA-N 436.516 2.495 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1CCCCO1 1358971638 CSFLLHNUJPFUBY-IBGZPJMESA-N 426.542 2.381 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1 1359000509 XLNNPBIEHNSZOI-NRFANRHFSA-N 431.924 2.127 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnccc2OC)CC1 1359038613 CEUVJJYGXIJIEJ-UHFFFAOYSA-N 436.491 2.203 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H]2CCN(C(N)=O)C2)nnc1-c1ccc(Cl)cc1 1449154361 MILNEUFZIYRSGH-CYBMUJFWSA-N 434.953 2.393 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 1460745714 DHDVXBNEULFBBB-UHFFFAOYSA-N 425.468 2.181 30 10 IEEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1466736188 HLRSVJOQDVACGZ-UKRRQHHQSA-N 430.534 2.270 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(OCCO)CCC(F)(F)CC2)[C@H](C#N)C1 1469729401 MABMOPMTIWMPLV-HUUCEWRRSA-N 446.495 2.002 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1470842384 ULLGXFBYQANOQD-UHFFFAOYSA-N 443.525 2.089 30 10 IEEE C[C@H](NC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1nnc(O)n1C 1479375904 MLEQMBXKPDDSRQ-RRKCRQDMSA-N 437.291 2.394 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1505053066 VOQLFODUJBTPBL-HSZRJFAPSA-N 441.532 2.399 30 10 IEEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)NCC)CC1 1507579761 GYRYIBKDGOCIAR-UHFFFAOYSA-N 431.544 2.165 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507592181 REXXDDSXAIAIJL-IKGGRYGDSA-N 430.553 2.382 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1C 1507702320 IWRKWHPAJJCRNH-MRXNPFEDSA-N 445.545 2.077 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1507796658 IVDMYIUPFAZXNP-TZIWHRDSSA-N 433.597 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](COC)C1 1508138135 WVBQMBONNCGMSZ-OAHLLOKOSA-N 440.953 2.051 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CC=CCC1 1509958311 YYWPNMGRUVFYCB-IBGZPJMESA-N 435.580 2.452 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1510049823 CLYAQJCQMFNSME-ZWKOTPCHSA-N 441.555 2.460 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCN(C)C(C)C)cs1 1511546552 JEXXKCWACXRDET-LJQANCHMSA-N 428.610 2.151 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1515392668 DGRGIXADPFEITJ-INIZCTEOSA-N 439.488 2.112 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1=CCCOC1 1517366025 MNIBHDONTPJGEL-HNNXBMFYSA-N 433.310 2.122 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)c1 1518050086 DXBXQYREHCSRNZ-WOJBJXKFSA-N 426.521 2.031 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@@H]21 1519484350 KJHYLOZIOFYKGA-XOSZIXPVSA-N 442.564 2.254 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)C1=O 1519602406 DAVBOTAPWSATTH-SFYKDHMMSA-N 429.517 2.048 30 10 IEEE Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1527984225 IGBBYWAROYJXJO-UKRRQHHQSA-N 440.422 2.255 30 10 IEEE Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1527984228 IGBBYWAROYJXJO-ZFWWWQNUSA-N 440.422 2.255 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)n3)CC2)cc1 1529720463 DSNSEYYFOPWZIW-UHFFFAOYSA-N 442.497 2.169 30 10 IEEE CCCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 1534268721 QPGDZVMYHSLMSD-JJXNMMKVSA-N 434.562 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 1538966386 YSGOTLDNGXOORF-HNNXBMFYSA-N 442.951 2.365 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1539046472 SMQGSHGDWPDWIX-SFHVURJKSA-N 428.581 2.449 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN1CCOC1=O 1539240000 UXWZKWVZPGNYNE-QGZVFWFLSA-N 425.464 2.472 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539526747 UJPBOEYNZAITFX-GOSISDBHSA-N 443.598 2.271 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C 1539665901 IUJOCTIMDHCFRU-UHFFFAOYSA-N 447.609 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](CC)C1 1540867186 NKNVAWOCSHBGMY-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 1540876508 UAIXXDCBMPWGRN-GOSISDBHSA-N 436.560 2.107 30 10 IEEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1546337521 QYPDGIUYXHHBNP-YOEHRIQHSA-N 438.550 2.359 30 10 IEEE CCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(N)=O 1548377043 AQYLVTRNUZEBBB-KRWDZBQOSA-N 438.450 2.144 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OC(C)(C)C[C@@H]2O 1558635001 BNPCSNBQAHYCBU-ACJLOTCBSA-N 429.498 2.458 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1)C(=O)OC 1570221774 VVFLBVVEACGJAB-KOLCDFICSA-N 427.242 2.385 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)Nc2ccc(Br)c(C#N)n2)c1=O 1585751328 VHULYCQDKQQITE-UHFFFAOYSA-N 433.262 2.471 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cccc(Cl)c1Cl 1587245839 AALUMMXFBJKIAG-UHFFFAOYSA-N 440.308 2.421 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587872453 JKHPYGHFRDBAJF-URXFXBBRSA-N 448.615 2.466 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588065385 XVKCHUKEZQMWKG-QRVBRYPASA-N 431.537 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccnc1)C(C)C 1588180167 CEZNLMDOTLONCF-ICSRJNTNSA-N 442.589 2.186 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cc[nH]n1 1589625694 NEWVLVMLADFPNT-UHFFFAOYSA-N 437.504 2.272 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1593746836 OHBZKOZNCGMHKS-GOSISDBHSA-N 434.562 2.418 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1csc(CC)n1 1593747430 WATVMSNWFIUVLP-OAHLLOKOSA-N 439.607 2.428 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCC)c2)CC1 1594096718 GDIWRYZXPYVAAT-LJQANCHMSA-N 443.573 2.135 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)CC1 1594192819 MMFDZNWHUKGMRY-INIZCTEOSA-N 425.599 2.376 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1594713431 ACUVSBZNVXGLTM-INIZCTEOSA-N 429.525 2.431 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCc3ccccc32)nnc1[C@]1(OCC)CCOC1 1595595701 YDUJQLMVXIOMJD-CVDCTZTESA-N 425.533 2.356 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1598241828 AXTCVRBYAKCQLM-SVQXRNPESA-N 448.568 2.185 30 10 IEEE CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccc(C#N)o1 1602812756 IZYYGNMZPSXEAM-KRWDZBQOSA-N 439.564 2.484 30 10 IEEE CC(C)CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1606937395 VQOPABWRDOMCPJ-VZCXRCSSSA-N 436.520 2.276 30 10 IEEE CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1611540996 AOLNDOQZRMRFOD-FMQUCBEESA-N 444.488 2.445 30 10 IEEE Cc1cc(C(C)(C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1616337077 VFNQWCWWTVMDRF-KBXCAEBGSA-N 425.348 2.432 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1619912096 QOLSBNKATVNCHJ-QHCPKHFHSA-N 435.532 2.282 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)OCC 1622450215 MBHBKQBZRQGDBN-LBPRGKRZSA-N 430.331 2.096 30 10 IEEE C#CCOc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1624395256 SKMRZKAFCLWMEM-OUKQBFOZSA-N 433.508 2.228 30 10 IEEE CCOC(=O)CON=C(C(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1cc[nH]n1 1625408286 OTEFDJWJQHGGCA-IEBWSBKVSA-N 441.532 2.378 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 1628662456 MNKSGBHFLGJPND-RXVVDRJESA-N 433.464 2.139 30 10 IEEE Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc12 1630030328 CHTRSQRSFKRPJW-UHFFFAOYSA-N 434.481 2.019 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1635136454 RAURNFIHRIMIQM-ZDUSSCGKSA-N 448.442 2.377 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 1635704998 TWFHURPUDRHFRN-CEXWTWQISA-N 432.546 2.275 30 10 IEEE COc1ccc(N2CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)cc1 1636354524 ZLIJRQVBPKQNQC-ZWKOTPCHSA-N 435.532 2.103 30 10 IEEE Cc1oc(C#N)cc1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1636432719 PJSFUBNQDKDGQJ-XYPHTWIQSA-N 430.461 2.114 30 10 IEEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)Oc3ccccc3OCC)c2)CC1 1641039966 BTXIIGPMMUPVQB-UHFFFAOYSA-N 429.494 2.453 30 10 IEEE C=CC[C@@H](C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1)c1ccccc1 1641937139 YSVNANMMVQBZSS-JOCHJYFZSA-N 427.570 2.469 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cc(C#N)cs4)C3)[C@@H]2C1 1643334722 DSJFLWYZCAKCDA-ZNMIVQPWSA-N 432.502 2.274 30 10 IEEE C=CCN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)[C@H](C)COC 1647738603 ZNYKVIWHTNQSDK-GOSISDBHSA-N 435.590 2.273 30 10 IEEE N#Cc1cn(C2CN(C(=O)[C@H](c3c(F)cccc3Cl)N3CCCCC3)C2)c(=O)nc1O 1648790656 PMYHBBPDBVPGLQ-SFHVURJKSA-N 445.882 2.224 30 10 IEEE COCc1nnc2n1CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C2 1654976477 VFPPPYXSWKXDAF-UHFFFAOYSA-N 437.479 2.297 30 10 IEEE CC(C)CNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1666470962 FQMODERLBDCNND-UHFFFAOYSA-N 428.352 2.494 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OCC 1669268338 XPMAKFNDCYIQMG-SNVBAGLBSA-N 432.296 2.207 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CCN1Cc1ccccc1 1675398139 NHHQFWVFHOBTHK-ONTIZHBOSA-N 438.553 2.411 30 10 IEEE C=CCC[C@H](NC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)c1ccc(C(F)(F)F)cc1 1679303665 AWIXRDPWGVIWKU-HOTGVXAUSA-N 432.468 2.257 30 10 IEEE CN1CCN(C[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)c2ccccc2)CC1 1683882679 FFWAQCYFSSGJRX-FQEVSTJZSA-N 438.601 2.440 30 10 IEEE COCCO[C@]12CCC[C@@]1(NC(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 1686083611 CEICVYJZVITSRR-UEVCKROQSA-N 442.516 2.055 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1689845979 DZLKNOZSACUBGB-GCJKJVERSA-N 433.560 2.142 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1689892306 CHKYQXVLJBPSJY-INIZCTEOSA-N 447.527 2.058 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1689964746 WHXGLTBYMMPYOG-QGZVFWFLSA-N 442.568 2.223 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1689996812 OSTJPGYWKVVXBA-SFHVURJKSA-N 427.530 2.156 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCOC1 1690094050 QYTIXCFLRYWAKM-IERDGZPVSA-N 434.924 2.309 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCCC1 1690108338 VFDSOLLPRNREGD-QZTJIDSGSA-N 431.581 2.328 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1690302346 BOZAMPXLTOOIRD-LJQANCHMSA-N 443.548 2.076 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690509586 AZKUJFZBSJUYKV-GOSISDBHSA-N 437.548 2.166 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1690666285 ZCQAPIJVTGUJPB-UHFFFAOYSA-N 440.548 2.141 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1690677942 FPMBCSCDMRVITO-VQIMIIECSA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690726976 RPPXNXQJHPOOQX-UHFFFAOYSA-N 434.566 2.081 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCN2CCOCC2)n1 1693413576 DQULRDJCPGUMLG-UHFFFAOYSA-N 448.575 2.370 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1696597575 HVZOCVZPUSYSNX-AVRDEDQJSA-N 431.560 2.467 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1)OC 1697767113 MJCZPJKTLKPPAR-PZJWPPBQSA-N 440.548 2.065 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1698491477 CUHPZZIFKNAUDC-HZPDHXFCSA-N 439.486 2.243 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705535064 ZPOIZQWOGIARJU-APWZRJJASA-N 430.530 2.217 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705538478 PWTVUAXFXVUMHO-LJQANCHMSA-N 445.589 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)CC)CC1 1705646427 YDWYAAJFGUZVNB-QHCPKHFHSA-N 425.533 2.081 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCNC(=O)C1 1705710578 YMWCFMMWPGQSFD-PGRDOPGGSA-N 425.533 2.337 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705754283 URJOUXILKIFDKT-LZQZEXGQSA-N 436.988 2.261 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1705785061 UHSJDOMPXQLVKY-HSZRJFAPSA-N 427.549 2.335 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1710196388 FAQULFWNEILBFC-LJQANCHMSA-N 436.520 2.108 30 10 IEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1712713615 FIFXZGJJNDINHU-PKOBYXMFSA-N 444.561 2.047 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@]2(O)CCOC2)cc1 1712880672 ONHVLEQXMBBGMV-HRAATJIYSA-N 433.459 2.362 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OC2CCOCC2)c1 1722358254 FJZMNNFASYGGBG-RXVVDRJESA-N 441.532 2.073 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC(=O)N2)CC1 1722433763 CXDSQSWPWLVJKW-OAHLLOKOSA-N 433.343 2.286 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722503902 DUWOMFPWKJTBLL-UHOSZYNNSA-N 437.610 2.245 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722505174 AOFGTBJCAHIACH-AABGKKOBSA-N 431.581 2.458 30 10 IEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1722538672 ZSSQEZCVXBLFPV-LJQANCHMSA-N 449.577 2.280 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1722690491 JJXCOFIHOCGFMM-HOCLYGCPSA-N 429.521 2.165 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722703034 UYHUUXYWJJEDLU-QZTJIDSGSA-N 429.569 2.082 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1722997150 VTHLWDCGNJCURS-INIZCTEOSA-N 431.541 2.274 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)CC(=O)N1C 1726728862 GVTUZJVPYHPXSE-LSBZLQRGSA-N 426.521 2.377 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccnc1OCCOC 1727013962 VUPZEUHGGGATHM-XLIONFOSSA-N 439.564 2.437 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@@H](C)CC#N)CC1 1728634618 CJKFUMNIXYMBBE-SFHVURJKSA-N 439.564 2.440 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740574059 JLIYMFVJTRHJEK-ROUUACIJSA-N 433.553 2.315 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740620874 YOLFJRJMWAUXJG-QGZVFWFLSA-N 428.514 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cnnn1C 1740649271 QCAPGNCJCIXQMB-SFHVURJKSA-N 433.516 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(F)c1 1740657167 RACMAPYDZSVXHT-IBGZPJMESA-N 428.533 2.415 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CCOCC1 1740683836 PNPCOYMPPDMPBI-UHFFFAOYSA-N 434.544 2.240 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@@H]2CCCCO2)CC1 1740698249 BZPJQPYWYOEPCI-NRFANRHFSA-N 425.581 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccco2)N(C)C)CC1 1740703947 DKOKSBYCSZUYCY-HXUWFJFHSA-N 449.559 2.145 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740863522 AGAKORDILSJBQH-MJGOQNOKSA-N 448.593 2.331 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740882386 JSRMJFLBXJOKAB-UHFFFAOYSA-N 431.500 2.066 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740942052 ZYKVSDSSYZHXPF-AZUAARDMSA-N 442.564 2.089 30 10 IEEE CC(C)(C)OCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741239205 XDKSTYIXIMCWPS-UHFFFAOYSA-N 433.520 2.143 30 10 IEEE CC[C@@H](C)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1\N=CC=CC1=O 1743578846 IDMJMHQDQRTRIZ-UDJKBAMHSA-N 446.552 2.153 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1745888151 BMGFBQOXNRODFE-PMACEKPBSA-N 438.532 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNc1nccc(C(F)(F)F)n1 1748846275 FUKMONKLETZNKT-HNNXBMFYSA-N 433.438 2.166 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1749084170 FLZLFPGZLIPTNM-OPAMFIHVSA-N 427.505 2.146 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC)C(=O)C1 1749392947 FUQVIYPHCSVTFZ-UHFFFAOYSA-N 435.536 2.336 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749398678 NVCYLOVKUSQXOA-GOSISDBHSA-N 429.569 2.312 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1749594614 ODGBZUBGTZYFTD-SFHVURJKSA-N 429.546 2.280 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)C2CCCCC2)C1 1749706915 RTBQXDRUVXGPLD-GOSISDBHSA-N 425.537 2.308 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC2(CCC2)C[C@@H]1CC 1749721688 QVQDPBFGEADLDK-KRWDZBQOSA-N 435.594 2.274 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1749739792 JRQFNHBPFZJNAU-UWJYYQICSA-N 440.610 2.403 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2cn(C3COC3)nn2)c1 1751395260 CEYXLRRYUZWVBO-QGZVFWFLSA-N 436.520 2.423 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCN(C(C)=O)CC1 1760229595 YDGLOKIWAKBXNY-UHFFFAOYSA-N 432.931 2.361 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCCOC2)n1 1760252845 SAAWNJXUJPOCFA-LJQANCHMSA-N 435.532 2.249 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)CC1 1760264505 QJYVSQTXISIWGW-UHFFFAOYSA-N 439.951 2.471 30 10 IEEE C#CCSCCn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760286858 XHTABUAGFMOFMT-CNNODRBYSA-N 433.622 2.358 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C)C1CC1 1760477370 YFNJKXZRGLSTHC-QGZVFWFLSA-N 448.568 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760553308 ALKILFBSQSZLMC-UHFFFAOYSA-N 434.547 2.103 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760558830 BQAOYGKCXWWJDQ-ZWKOTPCHSA-N 434.566 2.077 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1760702316 RDBWCVUUXFCHDV-MDZRGWNJSA-N 429.546 2.420 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br 1767423133 IJJPUWVBCMRDGJ-UHFFFAOYSA-N 448.293 2.285 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccco1 1769841017 CQSXTHMHCXRMPM-UHFFFAOYSA-N 429.502 2.356 30 10 IEEE Cc1c(C(=O)NCC#Cc2cnn(C)c2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 1850447147 MKKZKODUIIGHJX-UHFFFAOYSA-N 428.456 2.018 30 10 IEEE CCOc1ccc([C@@H]2Cn3nnc(C(=O)NCC#Cc4cnn(C)c4)c3CO2)cc1Cl 1850459862 SVOLBXNKHDWLDS-IBGZPJMESA-N 440.891 2.117 30 10 IEEE N#CCCN(C(=O)CCCN1CCS(=O)(=O)CC1)c1cccc(Br)c1 1850944911 IPDCBRDBQSODPI-UHFFFAOYSA-N 428.352 2.206 30 10 IEEE C=C[C@H](CC(=O)OC(C)(C)C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1851726844 LOSKYWIQMLDSMO-MRXNPFEDSA-N 425.503 2.151 30 10 IEEE CN1CC[C@H](C(=O)O[C@@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)C1 1852536953 WEFORUYPIGQTPU-OALUTQOASA-N 428.510 2.274 30 10 IEEE C=CCOC(=O)[C@H](CC(=O)N[C@@H]1CCN(c2nccn3c(C)nnc23)C1)c1ccccc1 1853220536 NVNIQIFPOODPHG-RTBURBONSA-N 434.500 2.031 30 10 IEEE NC(=NOCCC(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc2C1)c1ccc(F)cc1 1853407480 QGBGIMVQWXBMIW-OAQYLSRUSA-N 438.503 2.429 30 10 IEEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)CCc2cccc(OCc3ccccc3)c2)CO1 1855054948 QBZHFRDCBTWXHJ-HXUWFJFHSA-N 430.482 2.211 30 10 IEEE C[C@H]1C(=O)N(C(=O)C2CC3(C2)CC(F)(F)C3)CCN1S(=O)(=O)c1ccccc1C#N 1855739711 CMNVCNAQPCVKKS-ZDUSSCGKSA-N 437.468 2.132 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3nc(C)sc3c2)C1)[C@@H]1CCN(C)C1=O 1857277064 OBNXSNPZMKNTDN-MAUKXSAKSA-N 426.542 2.312 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)cc(-c3ccc(F)cc3)n2)CC1 1858571569 CJQHSRSILQFFPF-UHFFFAOYSA-N 439.472 2.371 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862421223 XFMFXVMIMSSEMH-LJQANCHMSA-N 446.406 2.393 30 10 IEEE C=CCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863738586 YMSZZRGKRDCDIK-UHFFFAOYSA-N 425.510 2.007 30 10 IEEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870560279 OSYLUCOUBKKYQF-UHFFFAOYSA-N 447.539 2.157 30 10 IEEE C=CCn1c(N2CCN(S(=O)(=O)C3CC3)CC2)nc2sc3c(c2c1=O)CCCC3 1871342357 BYINSUSWHQGPRC-UHFFFAOYSA-N 434.587 2.137 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC(C#CCN(C)C)CC3)OCC(=O)N2C(C)C)cc1 1890023421 SYVUXGUSDUKWMD-RPWUZVMVSA-N 441.572 2.176 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3SCC(=O)N(C4CC4)[C@@H]3c3cccnc3)CC2)c1 1892118041 OKLIOXPJXDPMTC-PKTZIBPZSA-N 447.564 2.450 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c1 1892325787 MEJLOYLGXFJTIJ-UHFFFAOYSA-N 444.582 2.369 30 10 IEEE COC(=O)[C@@H]1[C@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@H](CC[C@@]24CCC(=O)O4)[C@H]13 2037666379 DDHQRXOAZNEFKY-GKXOAVJJSA-N 430.497 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060634883 FHLIGCXLHSZEAG-WCXIOVBPSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751767 IGUXPLPJKWTYEM-FENNVDPPSA-N 436.358 2.442 30 10 IEEE C=C(CNC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2077059151 PTARIJADRSCUNB-OAQYLSRUSA-N 435.330 2.446 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2224120760 MZTGMRQMPHGPNC-XIRDDKMYSA-N 432.326 2.394 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)C1 2247560227 QQRVUDPJJCBGLW-XNROWMOSSA-N 437.537 2.044 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1)B1OC(C)(C)C(C)(C)O1 2247901424 KJSJHUVLEKATCX-HNNXBMFYSA-N 442.387 2.493 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627269 QHHPEBXKFIWAKU-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1 2255862084 PXDSVRNHDXMPDB-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256614917 QGOGSDNRMYRUTD-RHSMWYFYSA-N 434.342 2.049 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1cccc(B3OC(C)(C)C(C)(C)O3)n1)CCO2 2260144318 KHXJNJJSQDNNLH-UHFFFAOYSA-N 431.342 2.207 30 10 IEEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267137509 NQKAIGYPDGLKDI-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)Nc1cc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)ccn1 2267143768 MKCOVVCWWIQPTA-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC[C@@]1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2267168647 SZHBQEBUGUGPPY-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267267321 JLKHZCLWEHAPNG-GJZGRUSLSA-N 449.332 2.458 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267291658 TUVSIUXYFRVDJK-TYNCELHUSA-N 443.275 2.232 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2267592218 KTJSCYWWIZVSPP-ROUUACIJSA-N 446.353 2.086 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881543 IJNPWPQSQSRCPS-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268634028 VXOQCROAPTZHPS-PBHICJAKSA-N 447.341 2.249 30 10 IEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273784485 RGDGBXLEBFXHAV-QAPCUYQASA-N 448.369 2.185 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@](O)(CNC(=O)OC(C)(C)C)COC 2278792823 FFGFZEBLGPASLS-APWZRJJASA-N 427.339 2.291 30 10 IEEE C[C@@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H]1NC(=O)C(F)(F)F 2322296780 YYXNUCFKJVUUGG-RISCZKNCSA-N 431.239 2.413 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccn1C 2326765499 OKNVKIILPOJPMX-UHFFFAOYSA-N 429.502 2.372 30 10 IEEE Cc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1C 2328785165 QGCZROFJQIZIRD-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE Cc1cc(C)n(C(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)n1 20911538 ZCVKPLFIYFUCTI-DNTJNYDQSA-N 430.542 2.078 30 10 IEEE CCOc1ccc(C#N)cc1NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 63472268 LLPRHXVKVNMNRA-UHFFFAOYSA-N 447.495 2.226 30 10 IEEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 111048192 OYHVQCLDJHPORP-FQEVSTJZSA-N 438.553 2.086 30 10 IEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)cc1 170356601 CAOYIYFEBUDFIY-KRWDZBQOSA-N 425.422 2.105 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)cc2C1=O 428445714 HLHKGJZCUZDTDQ-FQEVSTJZSA-N 433.508 2.490 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)c(OC)c1 443227897 QJXCALZNWKFWNJ-UHFFFAOYSA-N 429.564 2.455 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCOC)[C@H]1CCOC1 460543576 JBFHGQMXWYLKOV-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CC2 467865582 REHLLAMJEIYHHK-TZMCWYRMSA-N 445.449 2.308 30 10 IEEE COCCN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1=O 469694088 FXHGPIBWLYXXMX-UHFFFAOYSA-N 437.544 2.144 30 10 IEEE Cc1csc(NC2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 474819973 XVJRHLNEEYBDCV-AWEZNQCLSA-N 433.559 2.093 30 10 IEEE CC(C)(C)[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 481336367 BRAXBWBUMBSCPG-PKOBYXMFSA-N 434.562 2.168 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 492458035 RERXVMNXJYSXPL-UHFFFAOYSA-N 434.544 2.141 30 10 IEEE Cc1ccc(Cl)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 497520580 CRTHRLHMARMMFB-UHFFFAOYSA-N 439.946 2.215 30 10 IEEE N#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)C1CC1 505937259 FJZFZEHMWLVRGZ-NEPJUHHUSA-N 432.365 2.330 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(F)cccc1Cl 508885116 MLCIPZPRVUNDBH-MRXNPFEDSA-N 443.932 2.226 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 516695611 UKOVXBZSSPZASI-AWEZNQCLSA-N 426.380 2.376 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(CC(=O)OC)cc2)cc1 522208162 YXHDOEXKJQNJEI-UHFFFAOYSA-N 438.527 2.009 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCNC(=O)c2ccccc2)CC1 526954797 WVKUKPFZTODNMG-UHFFFAOYSA-N 448.483 2.458 30 10 IEEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C1CC1 533139964 ZVBKYTZVCYQVJB-GOSISDBHSA-N 444.601 2.022 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](C(N)=O)c3ccccc32)CC1 540574741 FRKYNIQLNMVBRV-RBBKRZOGSA-N 435.503 2.014 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4ncc(Cl)c(C)c4C#N)CC3)C2=O)n(C)n1 543207197 MSWKXNYJVRSZBQ-GOSISDBHSA-N 427.940 2.275 30 10 IEEE N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)n1 567156419 NRDHZHOUFHXFIJ-UHFFFAOYSA-N 434.481 2.165 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 588152505 WTJSZJCWDGMDKT-MAUKXSAKSA-N 426.538 2.216 30 10 IEEE CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OC(F)(F)O2 730138235 KHFOIZZHLUJXAY-CQSZACIVSA-N 428.461 2.027 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCCc2cnn(C)c2)C1=O 730141390 JTUGMJYAXMRJCD-IBGZPJMESA-N 442.589 2.052 30 10 IEEE N#Cc1cnn(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1N 736671168 BWJFCFWAYMUDHL-UHFFFAOYSA-N 433.852 2.296 30 10 IEEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1 748810032 IBPNCNBSQCQLIF-KRWDZBQOSA-N 429.528 2.457 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Oc3ccc([C@]4(CC)NC(=O)NC4=O)cc3)cc2C1=O 755358024 YDPXYEAFJCJLRB-QHCPKHFHSA-N 433.420 2.133 30 10 IEEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774283341 ZSUCPFUSNMLCKJ-GOSISDBHSA-N 434.606 2.409 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 779109384 DUQPNEZWQJCQCV-CRAIPNDOSA-N 435.546 2.116 30 10 IEEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780204013 DRDWZJJVEWIZCI-QHCPKHFHSA-N 432.480 2.313 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1)C2=O 786536466 BZKAAUXQUOSETN-ZRKSEFCZSA-N 430.892 2.166 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(CCC2CS(=O)(=O)C2)C1=O 786686763 HDRUUZMWMNBJQU-KRWDZBQOSA-N 437.587 2.312 30 10 IEEE COC(=O)[C@H](NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(C#N)cc1 788403218 IENKOAJRJGNRQH-RBBKRZOGSA-N 439.487 2.219 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 790567168 RPUUURJDWFTIGD-FDDCHVKYSA-N 434.581 2.273 30 10 IEEE CCCn1c(O)nc2cc(S(=O)(=O)NC(=O)[C@@H](C)Oc3ccccc3C#N)ccc21 916189684 BUOOALLRGFMQQO-CYBMUJFWSA-N 428.470 2.296 30 10 IEEE CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916325342 IWPYQWVIYSXEGJ-UHFFFAOYSA-N 432.399 2.495 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1134997950 ZSVBQQJYBCHTAM-SZVBFZGTSA-N 441.475 2.495 30 10 IEEE O=C(COc1ccccc1C(=O)N[C@@H]1CCN(O)C1=O)Nc1cccc(C(F)(F)F)c1 1141380216 JHNQGYAVZDPANS-OAHLLOKOSA-N 437.374 2.443 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](CO)Cc1ccccc1 1147079975 HXNBQZJIYDERPC-NRFANRHFSA-N 441.553 2.021 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3c(nnc3-c3ccccc3)C2)s1 1147860645 KENFHEJYTFMQEF-UHFFFAOYSA-N 443.554 2.056 30 10 IEEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1153275760 ALAKVBDWHMJRAG-SCSAIBSYSA-N 435.218 2.120 30 10 IEEE CC(C)(CO)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1156865322 CGTKAJNQLYURSQ-HXUWFJFHSA-N 429.542 2.381 30 10 IEEE COc1ccccc1[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1171535299 BWBGTCVUXZGSRV-LJQANCHMSA-N 443.525 2.114 30 10 IEEE CCOC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336079 BADHGKMPOXSYID-XNJJOIOASA-N 445.310 2.063 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1219147811 AEPOCIQVLMHUGD-LBPRGKRZSA-N 436.431 2.320 30 10 IEEE C[C@@H]1Cc2cc(C(=O)Nc3c(C#N)nnn3Cc3ccccc3)ccc2N1S(C)(=O)=O 1278717425 HNORNIRPRFSVLG-CQSZACIVSA-N 436.497 2.161 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286300282 QQFFXVQQPJJNAQ-WMZHIEFXSA-N 430.556 2.337 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCn1cc(CO)nn1 1286377981 JZBLSUMQDJTIHC-UHFFFAOYSA-N 437.548 2.398 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286386175 VZYUKYPFTYVWMX-OALUTQOASA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1286391788 GHCJPKQYCGJLFD-QGZVFWFLSA-N 449.602 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](COC)OC)CC1 1286488430 YOEKFHGULNFYQO-NRFANRHFSA-N 439.560 2.135 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCCNC2=O)CC1 1286507515 JKEZCNYJWPRWLG-UHFFFAOYSA-N 439.589 2.014 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CCC(C)(C)C)CC1 1286789699 VRSFWTRTALFLML-UHFFFAOYSA-N 425.581 2.124 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(N(C)C)CCSC2)C1 1286813379 ZPMUBRJQWWNTJT-SIKLNZKXSA-N 428.606 2.483 30 10 IEEE CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1286944444 CJMPZIDOIPQELS-KSSFIOAISA-N 432.912 2.326 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCC2)CC1 1288014760 PZFQPOHWEPMAFP-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)cc1C 1289826731 AATICOOESWOUKA-HXUWFJFHSA-N 442.589 2.252 30 10 IEEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1297453229 UAUWKUSQVDMGNO-KRWDZBQOSA-N 446.577 2.104 30 10 IEEE CO[C@H](Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C 1299722537 BKKWSSNTMMCYGB-MZKRTTBSSA-N 446.596 2.166 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1300476952 YVTKEDRVPSIZIZ-SFHVURJKSA-N 443.552 2.311 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1300635076 BSEXFZJVHDOCQP-UHFFFAOYSA-N 435.620 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1300674734 DQLQLZYRHJNOKN-OAQYLSRUSA-N 431.924 2.075 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCS2)CC1 1300724633 AIVIZGUUXUCCOA-RBUKOAKNSA-N 431.606 2.424 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1300853409 OGRQDJVYMAABGW-FQEVSTJZSA-N 447.381 2.474 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1301439814 HIKWPQRMNDVZPQ-SFTDATJTSA-N 433.484 2.192 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1N1CCOCC1 1301490652 BXVKABBUWYZEFU-UHFFFAOYSA-N 447.543 2.115 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC 1301502303 FYZQFKGIKFVQLC-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(=O)N(C)Cc1ccccc1 1302000099 LEIUQALFRQANMF-SFHVURJKSA-N 440.548 2.401 30 10 IEEE CCCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306761103 QRTKMMWDMNXIQD-LJQANCHMSA-N 425.537 2.192 30 10 IEEE COC(=O)c1cc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1C 1310430253 AJSXLUWLKXACGV-UHFFFAOYSA-N 433.472 2.428 30 10 IEEE O=C(NCc1nnnn1CC1CC1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1312563843 DRBOLBLLCRLEQX-RKDXNWHRSA-N 448.318 2.396 30 10 IEEE CCCS(=O)(=O)NC1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1353298382 BXNMCYSLFDPWKI-UHFFFAOYSA-N 444.351 2.020 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358960593 IAERJFOHPHMXTP-LJQANCHMSA-N 425.489 2.154 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1359000241 QBCBYXOSNHNFTN-QGZVFWFLSA-N 444.967 2.042 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1359007549 MYBXKVSWMPLVDA-UHFFFAOYSA-N 433.516 2.360 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC(=O)NC2CC2)CC1 1359031220 USHJTBQEMGWTLN-UHFFFAOYSA-N 426.952 2.413 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(N)=O)CC1 1359078691 LCTSOZKBTNVBMC-UHFFFAOYSA-N 435.282 2.464 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359123632 CWQSQNUQYQGRIJ-UHFFFAOYSA-N 428.562 2.391 30 10 IEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1359151651 YGJFQILGHDURRL-KGLIPLIRSA-N 442.948 2.039 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1359202930 FHMACYXOOAXSQH-GOSISDBHSA-N 433.582 2.045 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1359306100 VUHYMPMQUKLCSM-QRWLVFNGSA-N 427.496 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2)CC1 1359330550 VVADMAUMTMYQJS-UHFFFAOYSA-N 440.573 2.211 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)cc1 1435867685 GTRFESQDBVMOQM-MRXNPFEDSA-N 433.436 2.480 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1439744902 PUXLDNYFJLIVAP-GBXCKJPGSA-N 432.480 2.234 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 1452493474 AWXRWFLBINKTQE-FQEVSTJZSA-N 436.472 2.003 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 1457215556 KYIUVYUNSYJIAR-KRWDZBQOSA-N 449.573 2.365 30 10 IEEE O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1457997834 ADWRKPRCMRUKQK-AWEZNQCLSA-N 425.416 2.083 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)C2)C1 1464621498 CZPZVIZMPIBZIH-LQIMFHHOSA-N 430.549 2.290 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1471536363 ULVBTICWSCWGHY-CTNGQTDRSA-N 432.517 2.385 30 10 IEEE C=CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1471936148 VXJMGNPJYXTPBF-UHFFFAOYSA-N 436.452 2.183 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)c(=O)n1C 1492201844 ZIMZVPORKHPGNZ-QZTJIDSGSA-N 448.527 2.398 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1502564409 JJTAQRFVEVUAPJ-HSZRJFAPSA-N 438.532 2.403 30 10 IEEE Cn1ccc(CCn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)n1 1503660650 CXTHFWKHTVQNLP-OAHLLOKOSA-N 442.321 2.413 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1507535144 UJZSJKRQHAMMSK-QGZVFWFLSA-N 448.575 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OCC)c1ccccc1 1507669187 JAFVWJGDPJDBOC-NHCUHLMSSA-N 440.569 2.421 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](COC)C1 1507750071 HLIVUFWRGKYSIB-HXUWFJFHSA-N 438.557 2.349 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1 1507761323 JSTGOZQGUUKARU-HSZRJFAPSA-N 430.516 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507812559 XRVIOWIVSUWCDA-VYDXJSESSA-N 445.486 2.301 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1507974568 YIZOJUITJGTPKG-KRWDZBQOSA-N 431.345 2.424 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1507982672 ODWLBXMLOBOZDH-KRWDZBQOSA-N 439.651 2.164 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCOC1 1507998286 DQTYSWNYEUJOAG-DEOSSOPVSA-N 447.543 2.355 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1508020093 NNIQAPPYGGCWGY-SJORKVTESA-N 441.623 2.075 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 1508071490 JWQMWPBAWLCJFH-UHFFFAOYSA-N 436.303 2.127 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508072217 OMROFNSIDMFANB-HKUYNNGSSA-N 427.553 2.428 30 10 IEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1508147985 OVJPAIUUTVGPJA-UHFFFAOYSA-N 448.980 2.107 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1514254254 MYPDQKHSAAFWFV-KSSFIOAISA-N 437.342 2.326 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1(=O)=O 1517127265 DMRJSRXOGCQWNT-GOSISDBHSA-N 437.529 2.210 30 10 IEEE COC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1517729926 GLAUUYBKDKHGOH-UHFFFAOYSA-N 438.511 2.441 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(OC)cc2I)CC1 1532530204 ZFQHYQVKRBCLNN-UHFFFAOYSA-N 428.226 2.219 30 10 IEEE Cn1c(=O)n(CC(=O)Nc2ccc(C#N)cc2I)c2ccccc21 1535353731 XHXWYVALYZWQIJ-UHFFFAOYSA-N 432.221 2.455 30 10 IEEE N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1535597870 VSKJTKJIVLRWNE-IBGZPJMESA-N 426.454 2.209 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539081631 DSSORVWYPBTUSK-IBGZPJMESA-N 433.516 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(COC)CCC1 1539257547 LSCJJSOZZCKNKW-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1539272779 BDWZGUYKUVJBTD-UHFFFAOYSA-N 447.539 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1539468068 AFMIDLBXXQOIJS-OAQYLSRUSA-N 437.544 2.077 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539525317 XVKINOKYFWIFRI-JOCHJYFZSA-N 444.626 2.445 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539821135 WBFRGQIQKCUOHF-RTBURBONSA-N 444.985 2.086 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1539939860 KZBHCSNUYVKSPD-SFTDATJTSA-N 447.543 2.436 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1540063998 ICACFXHKFALVQU-UHFFFAOYSA-N 437.529 2.465 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1540114864 RQFZRVNIGRUFFD-OAHLLOKOSA-N 449.602 2.249 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1540853558 AJNBGFRQYWSXSJ-GJZGRUSLSA-N 429.550 2.335 30 10 IEEE C=CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1540857630 JMOCZCLAKQWSGD-BRWVUGGUSA-N 449.552 2.456 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540913804 UIEKZYKYHMGETQ-UHFFFAOYSA-N 425.566 2.023 30 10 IEEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc2c(c1)OCCO2 1543114932 CZXAFODZQVHKJX-SFHVURJKSA-N 444.509 2.248 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1546063036 COBAJHKHWNICHO-KRWDZBQOSA-N 432.952 2.381 30 10 IEEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1546099579 ILXSBNTUBFOLLE-MZKRTTBSSA-N 441.532 2.274 30 10 IEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1(C)CC1 1548371099 RTDYEJUIFXUAKB-QGZVFWFLSA-N 438.450 2.157 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1555575068 JLEAIIKTWJUOIG-LSDHHAIUSA-N 431.928 2.227 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(C)COC1 1555674582 UOUBNOMYTGORIQ-YLJYHZDGSA-N 441.532 2.488 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@H]2CCOC2)CCO1 1555992376 PHLMAPWOROZVPT-APWZRJJASA-N 442.476 2.025 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 1555995747 DKOUKUZBEXRMAT-SFHVURJKSA-N 427.553 2.152 30 10 IEEE CCOC(COCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)OCC 1556178565 WXACJMLNLJREQV-JQHMZKTJSA-N 439.553 2.305 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)c1 1556249851 VXNFLUSXWGEEHF-IBGZPJMESA-N 434.539 2.012 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1557240411 KDPVJTRUENEIOI-FQEVSTJZSA-N 428.496 2.292 30 10 IEEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc1-c1ccccn1 1559382916 AVSSUUIDJREUCG-UHFFFAOYSA-N 442.467 2.097 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2O)CC1 1566318009 OZNRZHNBXUQREA-UHFFFAOYSA-N 431.084 2.115 30 10 IEEE COC(=O)N1CCC(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1568721118 NMGUGYYWYZPTOK-PSCUFVCCSA-N 434.537 2.368 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)Nc1cc(OC)cc(OC)c1 1570017232 KAYREXBSILYKPN-SFHVURJKSA-N 433.505 2.407 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1570824219 QWQAJGLJMYXLCD-AWEZNQCLSA-N 449.451 2.045 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CC1 1588084637 STBYSKQJUPZENS-MRXNPFEDSA-N 430.505 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1588173433 AHQBGVUKONNANA-NRFANRHFSA-N 449.555 2.404 30 10 IEEE COC[C@]1(C(=O)OC)CCCCN1C(=O)COc1ccc(C#N)c(Br)c1 1588248586 OFLUHYFJEZSWQC-SFHVURJKSA-N 425.279 2.270 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1593752906 SUCLCZIMKALEAZ-UHFFFAOYSA-N 437.548 2.475 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1594744547 UDUFBNUMCXXATI-GOSISDBHSA-N 432.594 2.338 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1594962563 LRQYPYHYVQXXTH-SFHVURJKSA-N 432.569 2.471 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3sccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602863 SVFNKJYWFNFCII-OAQYLSRUSA-N 431.562 2.245 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595745865 XXLAIDMKSDREAU-VQTJNVASSA-N 430.574 2.279 30 10 IEEE CC(C)(C)c1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)on1 1597174850 KXEQTKDBRAWYGE-HNNXBMFYSA-N 432.550 2.254 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(Br)ccc3Br)C[C@H]1CS(=O)(=O)C2 1611164071 ALZPZDKUKFDOBX-XPTSAGLGSA-N 448.136 2.222 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1612942383 MPEYRJFXGPRVLM-LIZYVENYSA-N 446.577 2.376 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1614474910 AXMAMRUPMGXEJL-UHFFFAOYSA-N 432.550 2.001 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1616222068 ADGXMTNBLZPLCU-FGZHOGPDSA-N 432.569 2.223 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc21 1616347285 PEZUQILNKXSASL-UDJKBAMHSA-N 426.473 2.168 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N 1617308592 ADRSCYYBQLIXLH-LBPRGKRZSA-N 443.371 2.219 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1618512283 BEJSVAXHOXGYPG-MRXNPFEDSA-N 435.488 2.101 30 10 IEEE CO[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1618962821 UDELTDAPUFGJMW-DJIMGWMZSA-N 442.486 2.316 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619614656 NGDXBDDTRIADDH-KRWDZBQOSA-N 425.468 2.424 30 10 IEEE COC(=O)[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1620615783 FZAUKQPIHYEYBX-MRXNPFEDSA-N 446.504 2.049 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)c1C#N 1625299133 DWTOJGSSIJVFPF-UHFFFAOYSA-N 447.293 2.162 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1Br 1635741886 MBKFILOYWLXGLQ-BEFAXECRSA-N 433.302 2.330 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)c1 1638432917 AOUXUBCQWLYYKS-CQSZACIVSA-N 432.523 2.470 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)C1 1640218517 HESDGRBYJUNMGN-FQEVSTJZSA-N 427.549 2.148 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)c1 1641838467 JHQXFALXNQXKNH-UHFFFAOYSA-N 432.811 2.220 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC3(CC2)CNC(=O)N3C)n(Cc2ccccc2)c1C 1643530448 FAIAWHQTWZPOSY-UHFFFAOYSA-N 434.544 2.453 30 10 IEEE CCc1ccc(C(=O)Nc2sccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1648028858 PYGKDUAUDVTSFK-UHFFFAOYSA-N 449.492 2.394 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)c1 1648727612 GWYLPCPRHAAEDH-SFHVURJKSA-N 437.525 2.125 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCc2cccs2)n1Cc1ccc(C#N)o1 1649550830 NJJOHAGGBJKABD-CYBMUJFWSA-N 434.547 2.142 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](CC(F)(F)F)O1 1654304688 ZDWFARVHGUAHEQ-OAGGEKHMSA-N 430.496 2.499 30 10 IEEE COCCN(Cc1ccc(F)c(Cl)c1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1654643191 GJROCTSEMLAABT-UHFFFAOYSA-N 439.896 2.304 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCOc2cccc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1656359008 UCJADIWMIVOELB-MOPGFXCFSA-N 435.546 2.045 30 10 IEEE C=CCN(C[C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1658452802 JNAFKPHCOVWCIP-IEBWSBKVSA-N 440.610 2.087 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1662049354 NLDZGNPKPSBYSC-UHFFFAOYSA-N 428.235 2.467 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(=O)OC 1665501147 NFYZDRCLLKHIMT-LLVKDONJSA-N 438.271 2.161 30 10 IEEE C#CCCCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1689906078 HNMCDIREYMJDJO-HSZRJFAPSA-N 431.581 2.428 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N(C)CC(=O)N1CCOCC1 1689940075 NEWSUIGZISQNBI-UHFFFAOYSA-N 425.533 2.128 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1689966238 NJXKOAGXCBZPHB-RTWAWAEBSA-N 441.601 2.087 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1690077915 ZNKFPAFPBPYUFX-MSOLQXFVSA-N 433.578 2.316 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690169400 ABCUIBYATJGQAF-MRXNPFEDSA-N 426.550 2.196 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690172900 QWQKGLOUKPXUPO-SFHVURJKSA-N 430.622 2.045 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1690671171 QFIJPPBTOZBONV-SFHVURJKSA-N 444.967 2.060 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCc1nccs1 1690723087 HFAHFTHGDRWEGO-UHFFFAOYSA-N 432.575 2.385 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1692491924 JIGSWRDCIJGKEA-UHFFFAOYSA-N 433.516 2.257 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCSCC2)CCOC1 1692588111 YHOYDAGKJWXTPE-FGZHOGPDSA-N 448.637 2.498 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1693869149 ZMFPLUOLJFEIBQ-VFNWGFHPSA-N 426.546 2.149 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCN(C(C)C)CC1 1694294244 FGDGHWGYVKOERQ-KRWDZBQOSA-N 433.601 2.028 30 10 IEEE CCO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1696003856 GKLZNTVKFHUFIS-RTBURBONSA-N 430.553 2.115 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)O)c1 1696620304 GYQZMMMGBYAGNO-UHFFFAOYSA-N 446.577 2.096 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCCO2)c1 1705504783 DRUSRRNQTFIILW-LJQANCHMSA-N 431.500 2.360 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705538845 BKIFYGOOYZASMU-YESZJQIVSA-N 430.553 2.164 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnn1 1705714093 DJFZVESTSCDRRJ-UHFFFAOYSA-N 433.520 2.276 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1706019748 DEWIFLCHSYHOHE-ZWKOTPCHSA-N 430.459 2.346 30 10 IEEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)c(OC)c1OC 1711832763 BSPCEQFYPNOTEK-OAHLLOKOSA-N 442.520 2.327 30 10 IEEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1712357771 HMYGVANMIYMAJG-KRWDZBQOSA-N 446.577 2.104 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1712886712 CKULPKWNGYKOJP-SFHVURJKSA-N 427.553 2.198 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722336718 NSQWLVAOFAEQOK-UHFFFAOYSA-N 440.979 2.336 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367377 VUDIQRNSVWCPNU-SFHVURJKSA-N 448.614 2.374 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722368454 RVZXIXHZFGFXSE-MOPGFXCFSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)c1ccc(F)cc1 1722370050 GBMFLHOVRUTWSD-HSZRJFAPSA-N 425.508 2.316 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1722436297 CASAYOGMYXOWOY-GGAORHGYSA-N 436.604 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1722465725 AJBUNYPOTUMTBU-WZONZLPQSA-N 435.532 2.176 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722592667 XPYIAPPZXOYBLA-MSOLQXFVSA-N 437.610 2.389 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722628753 ZSIFNDKAANXXNB-FQEVSTJZSA-N 430.597 2.271 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722697416 JLABZMGGHKSVJJ-UHFFFAOYSA-N 428.500 2.146 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1722753455 CDAYKMSEFFEDMZ-LJQANCHMSA-N 432.532 2.098 30 10 IEEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCO1 1726476827 DJUUVOAIJMHUTG-AYBZRNKSSA-N 429.546 2.255 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1727924584 AGLPPXPDJFCPDP-IEBWSBKVSA-N 440.548 2.159 30 10 IEEE CCNC(=O)C1(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1728657674 DRYLRCVCJDKVBH-FCHUYYIVSA-N 448.543 2.067 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N 1730884115 XHBCURWZRGDOQT-GOSISDBHSA-N 440.548 2.492 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1730982244 YBPRBPNTQJIYDS-RBUKOAKNSA-N 446.502 2.398 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740619020 LVPWXJHMFFJMSL-PBHICJAKSA-N 449.558 2.232 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1(N(C)C)CCOCC1 1740643182 HUNJTNUVVZXDAU-UHFFFAOYSA-N 430.556 2.465 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCOCc2ccc(OC)cc2)CC1 1740693554 CHZLQBBTBGCEAL-UHFFFAOYSA-N 432.528 2.321 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740739615 WQNOUBVWAHWZIS-XQQFMLRXSA-N 431.287 2.025 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1740761696 YIVAODGYSBHFJP-XLIONFOSSA-N 436.553 2.470 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740767294 NPPUAUIVVURWLN-IEBWSBKVSA-N 434.585 2.426 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740786553 HZCSPOCYMBSMRC-ICSRJNTNSA-N 440.548 2.004 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1740954389 KXCZNJOTDCJVPV-QGZVFWFLSA-N 428.537 2.137 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2C#N)CC1 1740956038 FVYDKBGQXBIAOY-UHFFFAOYSA-N 431.500 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2cscn2)CC1 1740986657 DAZKNEJWNXEFEC-MRXNPFEDSA-N 438.623 2.171 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1741240581 YGMCAMJDIAFDGF-IBGZPJMESA-N 440.548 2.065 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCCN2CCC[C@H]2CO)n1 1742695925 WZCPCWMSXLVUKC-NRFANRHFSA-N 440.596 2.117 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1748808214 BJCRTKZQAXJSRE-ZWKOTPCHSA-N 432.546 2.005 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749048842 WOHMITNBRWSSFG-DLBZAZTESA-N 432.477 2.477 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1749154684 ZCMISWZGQSFVDO-UHFFFAOYSA-N 437.548 2.367 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1749323728 KOSNYSLMKXHGDA-KRWDZBQOSA-N 437.610 2.424 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749354680 WXSLETNUBHQSCE-OAHLLOKOSA-N 425.493 2.169 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H]1CCCS(=O)(=O)C1 1749590943 JTWSIRVMZRSEFG-QGZVFWFLSA-N 442.545 2.388 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750578767 CSLUZVRHAOZUDT-QHCPKHFHSA-N 432.532 2.340 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@]3(O)CCC[C@H]3C)CC2)c1C#N 1751827424 IEQBRXNGECMOKR-OPAMFIHVSA-N 426.569 2.193 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(C(N)=O)CCOCC1 1760164137 KWVAFGFUQPYRRB-KRWDZBQOSA-N 441.532 2.168 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccco1 1760175798 RQEUSYPGQKDNFO-ZHRRBRCNSA-N 445.520 2.157 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([S@@](C)=O)CC1 1760211528 HUUJHXKXVCZLIB-AREMUKBSSA-N 434.363 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1760220511 MGUNIFDSJXPJOC-FQEVSTJZSA-N 429.528 2.127 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760279746 FGLVJNJGPMXLEJ-UHFFFAOYSA-N 444.649 2.437 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC#C)CC#CC 1760282171 XEMQZXBOOSHMEU-UHFFFAOYSA-N 433.585 2.281 30 10 IEEE CCN(CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1765258681 BSACZFUQAXGKRI-FXAWDEMLSA-N 426.521 2.250 30 10 IEEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1765893678 URYXIFTWNYDZJV-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE CCCNC(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766222415 GKKIDVGOSNASJB-UHFFFAOYSA-N 431.500 2.396 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1766885290 DQGARNRHCMXYLX-NRFANRHFSA-N 435.467 2.319 30 10 IEEE CN(Cc1cc(Cl)ccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768620677 FNXYZISRJUODQY-CYBMUJFWSA-N 446.920 2.378 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1769291361 FLPJEDFXYGDCEO-LJQANCHMSA-N 430.528 2.491 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)CC1 1769494235 CUPAXLLLSCIJAU-UHFFFAOYSA-N 425.537 2.435 30 10 IEEE COCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769718059 IXKJMILMXWHWMQ-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCc2ccccc21 1769845564 OBEAEVOEAIOYCU-CVDCTZTESA-N 425.533 2.373 30 10 IEEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1770071644 AACNNKCIMOXNAY-NRFANRHFSA-N 443.552 2.021 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC[C@H]1C 1770659122 UBGSCGHLHMVFLZ-PERKRYKHSA-N 443.573 2.458 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2nc(C(F)(F)F)cs2)cc1 1770740014 GPXXOCKAKGASPF-UHFFFAOYSA-N 433.419 2.277 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1771529480 OMWOBCBBQPDILT-KBXCAEBGSA-N 438.916 2.403 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)CC1 1848928250 XYPRTYIYGIODHD-UHFFFAOYSA-N 444.495 2.280 30 10 IEEE N#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)CC1 1848968333 GAIWONDRRWJLLQ-UHFFFAOYSA-N 427.530 2.035 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CCCCN3c3nccs3)CC2)nc1 1851841585 MPEWQDKAOPWQFQ-GOSISDBHSA-N 426.546 2.134 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 1851976743 FMCYXTNDVACUEH-NWDGAFQWSA-N 439.900 2.127 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1C 1852374293 RAEAETBYVVIXAB-INIZCTEOSA-N 439.541 2.484 30 10 IEEE N#CC1(CNC(=O)c2cc3n(n2)CCN(Cc2ccccc2Cl)C3=O)CCOCC1 1852986242 KJJRDGGSDYBOLR-UHFFFAOYSA-N 427.892 2.243 30 10 IEEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)[C@@H]2COc3ccccc32)C1=O 1857059662 ILIPVQWBCPHUSK-GDBMZVCRSA-N 425.466 2.032 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)c3cccc(Cl)n3)C2)C1 1857477433 KYZCXHCNHKHEHV-CQSZACIVSA-N 425.876 2.144 30 10 IEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc(OC)c(O)c(OC)c1 1865626687 XZYJZGKQPRVFKL-SFHVURJKSA-N 440.500 2.347 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1 1869041207 DCZWIZUFJKLPBJ-CZUORRHYSA-N 447.337 2.190 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699423 BPHPFGDZPJRHCF-UHFFFAOYSA-N 427.516 2.260 30 10 IEEE Cc1sc(C2=C(N)N(CCN3C(=O)CSC3=O)CC2=O)nc1-c1ccc(F)cc1 1872795914 DPSYPJYAIJOHJI-UHFFFAOYSA-N 432.502 2.465 30 10 IEEE Cc1nnc(SCC(=O)NC2CCCCC2)n(/N=C/c2ccc3nccnc3c2)c1=O 1873495692 YSHHYBFPGUYRSR-WYMPLXKRSA-N 437.529 2.313 30 10 IEEE C=CCNC(=O)c1cc2c(N3CCN(c4ccccc4F)CC3)ncnc2n1CCOC 1873589586 OEOPTNDWHOHICL-UHFFFAOYSA-N 438.507 2.459 30 10 IEEE CC(C)(C)OC(=O)N1[C@@H](COc2cc(Br)cnc2C#N)CCS1(=O)=O 2078087023 KBXNKPBUCAJOIT-LLVKDONJSA-N 432.296 2.434 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2124532411 KAAKIMPCQSRECF-YVSFHVDLSA-N 446.357 2.396 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C[C@H]2C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124535731 NSYHFNXDQIYMQA-IMJJTQAJSA-N 444.341 2.217 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2124542927 LERQEBQNHLUETJ-UHFFFAOYSA-N 449.332 2.272 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2224097571 MMQMFZKVAOBDNW-IRXDYDNUSA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ccc(C#N)c(Br)c1F 2225630264 UQGNEFBXSUNHOQ-HUBLWGQQSA-N 430.274 2.213 30 10 IEEE C=CC1(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247826668 YCEPVRLCSQOBCQ-UHFFFAOYSA-N 435.355 2.348 30 10 IEEE CON(CCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247921017 IDJKOIZRWOJARE-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE C=C(CS(=O)(=O)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247960888 ABZVQIVVOLXXIO-FOIQADDNSA-N 442.387 2.350 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2248397917 OROBXWXELZUPCC-UHFFFAOYSA-N 437.371 2.363 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@]2(CCCOC2)C1 2255593829 DYYJQTVPAWCTDO-ZHRRBRCNSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255629496 WQSVNQDJLXCDMQ-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255694745 SMLOBAYQWGZTRK-UHFFFAOYSA-N 431.342 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2255697962 FGHHFGUUFNUXIV-UHFFFAOYSA-N 429.326 2.074 30 10 IEEE C[C@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255706749 NNWYGPQODQEKKA-AAEUAGOBSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255862341 RETABBBFQGYVLI-RCDICMHDSA-N 431.342 2.301 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2255867725 GCGRLJIFDOTASR-INIZCTEOSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256034235 HSTNLPJPPAEZNN-HZPDHXFCSA-N 433.358 2.032 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2256618083 ODRQBDAUKTWIPK-OAQYLSRUSA-N 433.314 2.003 30 10 IEEE Cc1cnc(N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2257638118 WPRANMJSQXVXGU-INIZCTEOSA-N 435.374 2.401 30 10 IEEE Cn1nc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267133034 XMURUYLWCHEPTD-CABCVRRESA-N 448.373 2.141 30 10 IEEE Cc1c(C(=O)N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135307 BAKCPUASDGSJOA-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)cc2)OC1(C)C 2267270196 JYJKAPUKMRFCLB-RUZDIDTESA-N 436.361 2.353 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267602589 OWCNKZUMIXMMFL-CRAIPNDOSA-N 445.369 2.406 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268654509 AHHUXDWRPIUJQS-RHSMWYFYSA-N 447.341 2.344 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1OC 2296943264 WEJCWXYUYOUUFG-GOSISDBHSA-N 433.482 2.196 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2312856218 XAEYZQBHPDDHHH-KCQAQPDRSA-N 449.382 2.488 30 10 IEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1OC 2330784346 WPYALRIDLLEXDE-UHFFFAOYSA-N 449.533 2.105 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335394624 DLEOEWGBENSXRO-JKSUJKDBSA-N 445.379 2.327 30 10 IEEE C=CCn1ncc(N[C@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(Br)c1=O 2355693171 JDSLDVFAXJUEPQ-UBHSHLNASA-N 441.326 2.238 30 10 IEEE O=C1C/C(=N\Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c2ccccc21 12589841 YCMBDEIYVXPSKD-HEHNFIMWSA-N 430.442 2.018 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 31350085 LAAFISZDLHQNFS-WGFKBPOKSA-N 438.467 2.169 30 10 IEEE in-vitro CCc1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cnc2c1c(=O)n(C)c(=O)n2C 430626688 MEFOIADFEQXFLL-LBPRGKRZSA-N 425.514 2.439 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2cc3ccccc3[nH]2)CC1 433797051 RZTYYZFMROKNOH-UHFFFAOYSA-N 437.525 2.298 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)C1 443317234 HYQDXMRPOARTGG-WWDZGPRUSA-N 446.573 2.492 30 10 IEEE CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 464763188 OBFFCSWIAWTYJT-IBGZPJMESA-N 427.524 2.432 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(Br)c1 480303767 DRZHENFTBIUKHV-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508487951 HUIPJWHYOQCVAF-INIZCTEOSA-N 428.562 2.388 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 508938921 OGZLLGMQLOTHLP-GOSISDBHSA-N 426.565 2.319 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1-c1ccccc1C 522649880 FTOWXPXWAAVZHF-UHFFFAOYSA-N 433.508 2.460 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 524412415 DWMJLJZFJSZXDE-CQSZACIVSA-N 448.466 2.378 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)CNC(=O)C4)n2C[C@H]2CCCO2)cc1 549517141 OBHPXCMPZABEIF-LJQANCHMSA-N 436.516 2.014 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)CC(=O)Nc1nnc(CC(C)C)s1 552530911 ZPOYILUEUGFGIR-UHFFFAOYSA-N 430.534 2.355 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(Cl)c1 557852124 MGOYATHEPHZJET-LSDHHAIUSA-N 431.901 2.409 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ncnc5sccc45)CC3)cc2C1=O 641958601 CNBXUOZUHWUXLO-UHFFFAOYSA-N 433.493 2.436 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCc2nn(CC)c(=O)cc2C1 669817523 RUTICNGNFABEIY-UHFFFAOYSA-N 444.337 2.371 30 10 IEEE N#Cc1cc(COC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)ccn1 751950888 PVNQPRDHWXXKDI-UHFFFAOYSA-N 430.667 2.374 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1 752611461 UVDMDNDKLDLEFL-KUHUBIRLSA-N 430.482 2.370 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCSc2nnc(COc3ccc(F)cc3)n2N)c1 753967478 CNMYSRHGWTZGNK-UHFFFAOYSA-N 433.490 2.148 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757297633 LINDRTQCFKHUPM-VFNWGFHPSA-N 438.480 2.422 30 10 IEEE C#CCOc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 765140013 KXDBIGHRGJWMJF-UHFFFAOYSA-N 429.494 2.385 30 10 IEEE O=C(Nc1ccc(S(=O)(=O)NCCOCC(F)(F)C(F)F)cc1)C(F)(F)F 766178124 FENDUIGTGMAHHY-UHFFFAOYSA-N 426.310 2.383 30 10 IEEE COc1cccc([C@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)c1 766633236 AFVOCSGTMFPWLF-LJQANCHMSA-N 443.525 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)Cc3cccc(C#N)c3)C2)C(=O)C1 777204231 MIBZEJXBIOWCMX-IBGZPJMESA-N 426.517 2.171 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 782699638 ONNVDSQGUWXWKL-OALUTQOASA-N 447.557 2.473 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 783539771 SHWHVGWUACEFGL-JVPBZIDWSA-N 440.512 2.455 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2CCN(CC#N)CC2)[C@H]2CCCO[C@H]2C1(C)C 783651107 OLZAUFZESDKRGZ-IXFSTUDKSA-N 434.581 2.437 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(Br)cc2)N(Cc2ccn(C)n2)C1=O 784133834 AVACKHGPMASQAK-CQSZACIVSA-N 436.335 2.450 30 10 IEEE CC(=O)CCC(C)(C)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 786230029 XSXMZMSJPXLVRG-UHFFFAOYSA-N 442.472 2.393 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 787849156 SBGOWVFEQFYGLX-KRWDZBQOSA-N 444.351 2.138 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)n1 788610261 BXBLAUYTANRABS-UHFFFAOYSA-N 439.925 2.222 30 10 IEEE COc1ccc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)c(NS(=O)(=O)C(F)F)c1 789765826 FUXYLOZQWUQMEF-UHFFFAOYSA-N 435.474 2.259 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)c1 790016660 NSWDZQKLRCBJNU-ZMYBRWDISA-N 445.589 2.443 30 10 IEEE C=CC[C@@]1(C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)CCCN1C(=O)OC(C)(C)C 790888385 GRPMGRGVPFDJHU-BTYIYWSLSA-N 433.509 2.184 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](COc3ccccc3)C2)ccc1F 791148901 OIMWFGAABXEVGQ-SFHVURJKSA-N 434.489 2.210 30 10 IEEE C[C@@H](CC(=O)NCc1noc(-c2cccc(F)c2)n1)/N=C1/NS(=O)(=O)c2ccccc21 793852080 AZFPRYVPQYCELP-LBPRGKRZSA-N 443.460 2.009 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796426226 WQFPRXLRUOXVGA-GIJXAMHUSA-N 431.537 2.094 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803544756 DVAKOAZLMGIZMA-ISLYRVAYSA-N 449.261 2.159 30 10 IEEE C#CCNC(=O)[C@@H](C)OC(=O)c1cc(Br)cc(I)c1 803864823 USOJAXNBSYMTPG-MRVPVSSYSA-N 436.043 2.348 30 10 IEEE O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(CCCCF)C1=O)Nc1cnccn1 812223066 YRRDJQDWJJWDPD-QBTWCYAOSA-N 430.509 2.493 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1 916711794 RBLKRAOKBRMBPF-NCELDCMTSA-N 443.529 2.051 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 1130223760 WAEHTDOZNSSFCA-UHFFFAOYSA-N 440.525 2.333 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC(C)C)c3nc(C(=O)OCC)n[nH]3)cc2C1=O 1139460936 FKZHMGWGYFGLAA-INIZCTEOSA-N 439.472 2.281 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2Sc2ccccc2)CC1 1152967284 DRGZZWNGWSJUKG-UHFFFAOYSA-N 433.530 2.202 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C2)c1 1168642167 IXNVWWHQGFWQLU-GOSISDBHSA-N 430.555 2.486 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 1170331956 CMZBFADYGMCILI-LJQANCHMSA-N 432.952 2.372 30 10 IEEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C1 1177698803 ILAJGLHNXRUMSJ-UHFFFAOYSA-N 449.392 2.061 30 10 IEEE CSc1ccc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C#N 1248681820 NVILDGBFCOXYEH-UHFFFAOYSA-N 434.543 2.148 30 10 IEEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)n(C)n1 1264724426 SNBRIPLFFOHERY-NKFKGCMQSA-N 447.517 2.052 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cs1)C(N)=O 1265116202 VKFYFYKJPOXQPQ-MSOLQXFVSA-N 443.598 2.278 30 10 IEEE C=CCn1cc(C(=O)N(CCN2CCOCC2)Cc2sccc2Br)nn1 1274776212 LVWDLDQEVKYOIG-UHFFFAOYSA-N 440.367 2.263 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1286303835 DVRQDDFENJVOLF-FSTVOOFJSA-N 435.569 2.294 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cnn(CC)c2)c1 1286309564 NFRJDSFMFCFPGA-UHFFFAOYSA-N 441.499 2.056 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286347433 LPWWHWKYHZGYFR-LEWJYISDSA-N 442.608 2.456 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C(C)C)CC1 1286472010 CNMIGTQWTDGRSK-GOSISDBHSA-N 449.397 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C)no2)CC1 1286495237 XPZZBRRPLPCCFL-UHFFFAOYSA-N 448.527 2.210 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCC)CC1 1286509450 QRBYLLHYNKNOEF-ZWKOTPCHSA-N 440.635 2.332 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1286523231 RWKGCWAEUXRNCW-LAUBAEHRSA-N 435.594 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1286560696 HVMCQNPOFOLXSV-QUCCMNQESA-N 441.580 2.402 30 10 IEEE C=C(C)Cn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1[C@]1(OCC)CCOC1 1286599250 RIQDMPYGZPCWLI-FQEVSTJZSA-N 431.497 2.453 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1286762091 ADPIGBXEEHCGMA-XXBNENTESA-N 425.533 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2OC)C1 1286809801 VUFBSGYDMOHUKM-MSOLQXFVSA-N 427.505 2.076 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1287759426 HGWNUZIOGCBMGE-XTQSDGFTSA-N 449.559 2.250 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1288513774 IATMXCBQBSVNHT-INIZCTEOSA-N 439.545 2.267 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@@H]43)c(C#N)c2N)cc1 1294271539 IWIVNWDLLSXKQW-QWFCFKBJSA-N 434.544 2.378 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1F 1300018631 KFTXMOJLEHQQFV-GOSISDBHSA-N 443.500 2.411 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C 1300871436 BWTDYZYBLLFSAX-OLMNPRSZSA-N 437.566 2.407 30 10 IEEE COC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301275566 HTDLJJLCQSRNPM-JVMRMLDLSA-N 430.553 2.256 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)CC 1301350546 ZNWXBLAKIXXPDP-UHFFFAOYSA-N 428.512 2.324 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301542105 JUNGASAENABHMP-BSBNDGSWSA-N 438.488 2.154 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC)[C@H]2CCN(CC(F)(F)F)C2)ccc1F 1301582727 IWQXAUSLTWDCLG-AWEZNQCLSA-N 437.459 2.389 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CCC2)CC1 1301586242 FIPGGERXBJMSDF-UHFFFAOYSA-N 443.617 2.453 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301969215 VPEMHKMGNPAAKJ-HZPDHXFCSA-N 434.541 2.062 30 10 IEEE N#Cc1cn(CCNC(=O)NCCSCc2ccc(Cl)cc2Cl)c(=O)nc1O 1312407705 QHTNTUMWLUBVNZ-UHFFFAOYSA-N 442.328 2.360 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1312418758 YXQKDJSVHFPORT-LJQANCHMSA-N 437.537 2.241 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1COCCO1 1315662994 FBZKHCLEGPGKQU-YWZLYKJASA-N 433.509 2.436 30 10 IEEE CSc1nc(O)c(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C#N 1318900107 MMKXYXOYNPGAKS-LBPRGKRZSA-N 433.515 2.067 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1C#N 1324451223 GUDRGMYHQUPWCS-FUHWJXTLSA-N 430.553 2.332 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCOC2)cc1OC 1335739242 JUEIIEZOBXSYQQ-LPHOPBHVSA-N 438.532 2.175 30 10 IEEE COc1cccn2ncc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)c12 1355744011 IGZGBXUZBAGPJD-PTGBLXJZSA-N 427.486 2.408 30 10 IEEE Cc1cc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ncc1C#N 1357231616 MPMGHJZKQYBRMK-UHFFFAOYSA-N 431.475 2.447 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1noc2ccc(Br)cc12 1357282482 IITNQWZDMIGMGI-UHFFFAOYSA-N 431.250 2.203 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCCC1 1358880841 UKUGTLLXANJUTJ-WIYYLYMNSA-N 433.564 2.499 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1358959342 GZLWIOFBXSONMB-KRWDZBQOSA-N 446.598 2.500 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1358964855 INTCUXHSBZULHE-QGZVFWFLSA-N 427.555 2.000 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCCO 1358979107 CGXNHDCCLFGYFG-LJQANCHMSA-N 445.564 2.212 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCc2cc(OC)ccc21 1359023647 QMXVHZUSTHEETF-RXVVDRJESA-N 437.544 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2C[C@H]2C)CC1 1359047117 RLUZNLFGVBBBEX-XLIONFOSSA-N 432.528 2.351 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359057951 NIXQWCKAALTZLP-UHFFFAOYSA-N 429.550 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1359097024 KFFXQICJEHLWPV-TYPHKJRUSA-N 443.596 2.207 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359205486 ZQYTUJBPIBZRMO-NRFANRHFSA-N 437.592 2.363 30 10 IEEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359248704 YYQICSQUTBFXGM-CQSZACIVSA-N 436.969 2.430 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(N2CCOCC2)c1 1359281847 LAQGHVANJZKVAB-FQEVSTJZSA-N 427.549 2.306 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[C@H]21 1359335887 XTUMFLUVKUIEGP-VQIMIIECSA-N 432.546 2.455 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1359345909 UGCAHYVIFHIWPB-LJQANCHMSA-N 431.610 2.411 30 10 IEEE Cc1ccc(C(=O)NCC(=O)NCCN2CCCCCC2)cc1B1OC(C)(C)C(C)(C)O1 1450477683 CYAKTMLCRRUCOK-UHFFFAOYSA-N 443.397 2.016 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1458000779 JMJSBYKDOWZHPU-UHFFFAOYSA-N 438.440 2.121 30 10 IEEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H]1c1cnn(C)c1 1464545065 CPZSLNWRNGCIEQ-NJDAHSKKSA-N 431.452 2.213 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1 1468579433 CGRCAPUGSKOYSK-MRXNPFEDSA-N 437.562 2.411 30 10 IEEE CC[C@@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 1468647835 CGXZAXVFKMFONP-LJQANCHMSA-N 445.520 2.328 30 10 IEEE Cc1cc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)n1-c1ccc(Cl)cc1 1470361551 UBVOKSOLZULSER-UHFFFAOYSA-N 425.876 2.240 30 10 IEEE COCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504821223 QVVJSIGEVTZEAG-HXUWFJFHSA-N 437.548 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC1CC1 1507524900 WXZBELUKAXEXNX-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(COC(C)(C)C)on1 1507610212 DPIIXIANODIGIR-UHFFFAOYSA-N 426.477 2.427 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507623242 QMWHAHQYJQFIMK-INIZCTEOSA-N 437.953 2.156 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1 1507805669 NFEWJCWJPMXPRW-ZACQAIPSSA-N 425.599 2.496 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507966796 CHIRHEIINFGBEC-IBGZPJMESA-N 439.560 2.398 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1508131556 LZZQMXDIKUXXIA-OFNKIYASSA-N 439.516 2.316 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCCCC2)C1 1508132684 YUDIOBCWNUAGGZ-UXHICEINSA-N 430.597 2.304 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1514144294 MKZKVANSDLSLAJ-UDJKBAMHSA-N 439.545 2.198 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCc1cn[nH]c1 1517082094 WBQJGIAUDGURGE-UHFFFAOYSA-N 436.520 2.045 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1539264150 WQISUXAFRTWVBJ-VXKWHMMOSA-N 427.593 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1oc(CCC)nc1C 1539408744 BLBDTBIWNBWCBV-UHFFFAOYSA-N 440.504 2.389 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCCS2(=O)=O)CC1 1539882175 GOMARGIMEKCKQC-UHFFFAOYSA-N 431.562 2.392 30 10 IEEE CCOC(=O)[C@@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1540321493 NSPATPRHPGESPZ-WZHMAMEKSA-N 437.562 2.280 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(F)cc2)CCOC1 1541733787 VZPKJVODQFKCPO-KNQAVFIVSA-N 429.496 2.429 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(Cl)s3)C2)nc1 1544774699 GRMFELAKBVKXDQ-CYBMUJFWSA-N 425.919 2.263 30 10 IEEE CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1545947734 CRFCDEFVJDGOMC-IIBYNOLFSA-N 426.500 2.242 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(CN(C)C)c1 1546527455 GMZFESGQIDMBTI-UHFFFAOYSA-N 447.591 2.191 30 10 IEEE CCCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1547070641 INUJLZALZICZKL-UHFFFAOYSA-N 425.537 2.485 30 10 IEEE CCCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548368103 SQCQLXYVHOLJLC-KRWDZBQOSA-N 426.439 2.157 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(-c4ccccn4)n3CCCCCCO)CC2)nc1 1555989685 PMCCIZKJXQCNDY-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1556361761 HKTSJPPQENUAII-HNNXBMFYSA-N 438.912 2.137 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1=O 1556439648 SRRRDHUXFQTPEW-NRFANRHFSA-N 427.509 2.351 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)cc1 1556709777 KTFMDBOEHBZWTJ-UHFFFAOYSA-N 425.554 2.383 30 10 IEEE CN(CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C[C@@H](O)c1cccc(C#N)c1 1559975954 DHOODNBBEPFYRU-JOCHJYFZSA-N 426.561 2.211 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(Nc2ccccc2C#N)CC1 1560035851 JGPDDHYBANUSIP-OAHLLOKOSA-N 427.530 2.109 30 10 IEEE Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1568143757 BZTXJJMKWSZBGP-JOCHJYFZSA-N 436.493 2.260 30 10 IEEE C#C[C@@H](NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)c1ccc(Br)cc1 1569673490 IXMJCYRMYDQXHD-OAHLLOKOSA-N 426.274 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)nn2)C1 1584048016 ZWMQWRAYCIVNLJ-UHFFFAOYSA-N 440.479 2.429 30 10 IEEE N#Cc1cccc(C2(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CCOCC2)c1 1586553383 IPRPIXFMNSXYDN-UHFFFAOYSA-N 425.510 2.435 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1587678071 ODUVLISTRAXMHE-HOTGVXAUSA-N 439.582 2.243 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cc4c(nc3O)CCCC4)C2=O)cc1 1587748204 LWLDWKCLFUUMSG-IBGZPJMESA-N 433.468 2.059 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1587915297 INKAUWCRFPZSRI-QHCPKHFHSA-N 435.532 2.326 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588054281 MYVIZGOMEORZGG-AZUAARDMSA-N 433.622 2.294 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1588059107 JFOXHZLTJBLHIN-HXUWFJFHSA-N 444.601 2.477 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1588064634 MBMLXLQUDFEYGX-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C#CC[C@@]1(C(=O)NC2CCC(CS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1588213387 MILIBOGOEIHYOJ-BPZDKFOGSA-N 426.579 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1588251875 YSAHJVVOSMLIIL-UHFFFAOYSA-N 449.555 2.219 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(O)(CC)CC)CC1 1588913204 BXXCJHRBNYULNN-UHFFFAOYSA-N 439.560 2.471 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1593696251 MHBSIYCJYPLUHL-UHFFFAOYSA-N 429.569 2.374 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1593768943 JSCLVLULSRJXEF-KRWDZBQOSA-N 427.615 2.276 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@](F)(C#N)C1 1595516201 BGYJBHDYZJIZJU-SFHVURJKSA-N 433.285 2.452 30 10 IEEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1595890396 SDBCTEUDZAXHEV-KRWDZBQOSA-N 435.981 2.393 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N)N(C)C 1603200446 FGXGNMAHNSSJOJ-PXNSSMCTSA-N 436.568 2.493 30 10 IEEE CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1615403018 CRSZMNSUYRKGMY-FMQUCBEESA-N 428.468 2.369 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Oc1c(F)cc(C#N)cc1Br 1618686732 YUZIZQXCLCPYPU-UHFFFAOYSA-N 429.242 2.461 30 10 IEEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CCOCC1 1620035968 ODDAQEIVUMFQMB-LJQANCHMSA-N 433.553 2.124 30 10 IEEE COc1ccc(C)cc1NC(=O)CNC(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 1620491080 YARNLMLBQOIVKP-UHFFFAOYSA-N 436.512 2.226 30 10 IEEE COCC#CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1624021902 SBWAVSYVPYOWIO-PTNGSMBKSA-N 440.424 2.099 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1626359191 BTJXQHOGSATQCQ-HOTGVXAUSA-N 431.436 2.393 30 10 IEEE N#CC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 1626359545 OTZGBPAJYHEDNS-KGLIPLIRSA-N 434.396 2.099 30 10 IEEE C=CCN(C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1626456252 IKFQDPPUOMFVHV-MRXNPFEDSA-N 435.546 2.190 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 1627265158 LMEVYCHYYLLGTL-ZCXUNETKSA-N 432.521 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2C1 1632880127 GMXKRDIERHACDN-HTXNQAPBSA-N 446.529 2.298 30 10 IEEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OCC 1635697950 GPVQHFNRTLBUHM-IBGZPJMESA-N 438.546 2.110 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1Br 1635741889 MBKFILOYWLXGLQ-KXBFYZLASA-N 433.302 2.330 30 10 IEEE C[C@@H]1C[C@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1635743327 FPZVVASCQBZFHT-LSBZLQRGSA-N 447.557 2.474 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C(=O)OCc3ccccc3)[C@H](C)O)n[nH]2)c1C 1636250720 OTPWNOQZTPCCCP-KKSFZXQISA-N 437.500 2.299 30 10 IEEE CC(C)C[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 1636714726 YBQVNMQDLJVMPP-BFYDXBDKSA-N 426.542 2.453 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc3n(C)c(=O)c4ccccc4n23)c1 1643579826 RTJHOGWLZQZLNZ-UHFFFAOYSA-N 432.465 2.003 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN(c2ccsc2C#N)CC1 1643810881 DVCBKMHJOYPDGL-QGZVFWFLSA-N 425.558 2.185 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)Nc1sccc1C#N)C[C@@H]2C(=O)OC(C)(C)C 1644460550 GBYWCFKFGOFSAD-FAGJFJLWSA-N 433.530 2.401 30 10 IEEE Cc1cc(F)c(C#N)cc1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1644880101 GTKQSVWEAUESJD-UHFFFAOYSA-N 433.461 2.474 30 10 IEEE C#CC[C@]1(C(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)CCCN1C(=O)OC(C)(C)C 1653672490 WEYJXSOSBSVFRN-HSZRJFAPSA-N 448.560 2.476 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)c1cccc(C#N)c1 1654984797 SZZAWKXFTVJJDQ-PKTZIBPZSA-N 435.503 2.072 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)CC1 1659389735 CLDTVFOJFDFVEB-UHFFFAOYSA-N 436.534 2.383 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 1662022438 XLQVIJYWGDKSCZ-NRFANRHFSA-N 445.493 2.445 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)CC1 1668287295 QMZJGTLEMHEUDE-UHFFFAOYSA-N 434.468 2.249 30 10 IEEE C#CCN(C)CCCNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 1678394912 GPDUOBREYWSIDD-LJQANCHMSA-N 426.483 2.333 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1682398632 QASYZQIIIMGNCR-BDLVCKJPSA-N 445.541 2.136 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1689989354 DVFHQMOYYPTGLA-RTBURBONSA-N 442.585 2.497 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1689993462 DYSQERCCINNVJH-GUDVDZBRSA-N 431.537 2.029 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C2CC2)ccc1F 1690103450 CUELDTWHMVYBLJ-GOSISDBHSA-N 446.548 2.331 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CCS(C)(=O)=O)C1CC1 1690249747 ABGKAFFCLTYTGJ-NQIIRXRSSA-N 445.589 2.259 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1690296637 BXMVFRHXAIOVGU-RDTXWAMCSA-N 431.459 2.011 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1690669105 UNDLHIIKKZSPRI-KRWDZBQOSA-N 435.532 2.437 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)CC[C@H]1C 1690669281 ZZLPLXXGPBTAAU-HZPDHXFCSA-N 445.593 2.165 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)n[nH]1 1693363591 GSURNCXETWYWFF-IBGZPJMESA-N 447.547 2.227 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1696612782 UHRJPXWSPTUDBO-HSZRJFAPSA-N 437.548 2.435 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(Br)n2)cn1 1696852121 RDKQNLFHRFMBSP-QGZVFWFLSA-N 431.273 2.326 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC(C)(C)N1CCOCC1 1705626156 KMGFELFHDGQSMD-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908934 XXLPEARQXKZQRE-DNVCBOLYSA-N 445.486 2.400 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 1705909860 JXUGAFMCTPMEDF-IBGZPJMESA-N 438.576 2.333 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOCC2(C)C)C1 1705929713 WJSYSUHNFZBKTM-FQEVSTJZSA-N 443.596 2.032 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705950006 PEFAYYWJLMVCKH-WDSOQIARSA-N 448.593 2.233 30 10 IEEE Cc1ccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)o1 1707342269 DMUMIRQTNIHQMF-UHFFFAOYSA-N 444.517 2.220 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@@H](C(F)(F)F)O1 1708180651 AOLVVDIFSSPTLS-LRDDRELGSA-N 432.410 2.150 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1712254206 FMRBXERRZNNACP-PGRDOPGGSA-N 443.573 2.460 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722367793 OGNXVQLWNLQOQP-HNNXBMFYSA-N 432.537 2.165 30 10 IEEE C#CCN(c1nnc(COCC)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1722369729 FLOPVXHBMLFEMJ-IBGZPJMESA-N 446.573 2.137 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1722438799 CGLPAXVMKKMKBT-QHCPKHFHSA-N 429.572 2.322 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)CCCO2)CC1 1722441026 IJXNRKOQGGYBOF-QHCPKHFHSA-N 425.533 2.190 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1722588781 ZKXNMVCZDSLJFW-KRWDZBQOSA-N 437.610 2.231 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)COCCO2)C1 1722723205 WRHYVVKUFHWDGE-OFNKIYASSA-N 444.532 2.453 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1726451713 YCWQUORZXSUWKU-ZDUSSCGKSA-N 426.427 2.327 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1 1729528230 SGFHGBLUXLIJGC-UHFFFAOYSA-N 429.502 2.241 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1740616635 DNNYGVUUMSYDLT-LJQANCHMSA-N 446.573 2.102 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 1740690245 HUYMPPXKNNNDOP-JPYJTQIMSA-N 443.523 2.118 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1740696509 VZNOAXWCZORMCR-RBUKOAKNSA-N 425.533 2.013 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc3n2CCCCC3)CC1 1740834465 YBOSVHGTSXFXDO-UHFFFAOYSA-N 426.569 2.379 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1740904984 FMBQTKRNPAYTJL-HNNXBMFYSA-N 427.571 2.407 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1740983581 LDEIJBASEVXVEQ-SFHVURJKSA-N 442.539 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCCS(C)(=O)=O 1748681361 AMPSDJBRYOWEFW-QGZVFWFLSA-N 428.562 2.189 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748815981 VCJZJHCMTSSMBK-QUCCMNQESA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccc(F)cc1 1748842187 GEZLRHVVEJYOGZ-HSZRJFAPSA-N 435.459 2.125 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC2CC2)nc1 1748874953 GAOVNMHUWDVIAL-UHFFFAOYSA-N 432.528 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)cn2)CC1 1749009024 FCBYWVDZFDLJMR-LJQANCHMSA-N 426.496 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCNC(=O)C(C)C)CC1 1749016085 ZGUQQZHUTOYBOW-UHFFFAOYSA-N 442.608 2.139 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1749053858 MWRMKIMCMXSBCS-AQOAWAETSA-N 442.589 2.396 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749189314 FVZLHEJMEKRHHA-NRSPTQNISA-N 430.597 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)O)C1 1749699126 ZQRKLVHXQHNSJD-MRXNPFEDSA-N 448.593 2.099 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1750448700 KBAZJWRQOZBYSM-QGZVFWFLSA-N 436.564 2.084 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(=O)(=O)CC 1760105569 FYGOQJJRBLVTPP-AWEZNQCLSA-N 439.969 2.394 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1760249647 POGAKIDVENTSDA-WENCNXQZSA-N 430.574 2.185 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N(C)C2CC2)CC1 1760251512 BSOFIFAUKSOCID-FQEVSTJZSA-N 449.603 2.385 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cc(F)cc(F)c2)CC1 1760269431 IKODTZBTYLXBCZ-SFHVURJKSA-N 443.498 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)COC)CC1 1760270664 VHGOAWFQQWXANI-GOSISDBHSA-N 439.560 2.126 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1760484685 HQPAXPRBJILSNG-JTSKRJEESA-N 426.496 2.039 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1763272834 BUAYAIUUMAXDLM-MWTRTKDXSA-N 442.539 2.453 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1768264363 DFEIXUVKNGXMDZ-MRXNPFEDSA-N 448.618 2.430 30 10 IEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCc2cccnc21 1769846816 HZPTXUXEISBGHU-LJQANCHMSA-N 437.548 2.282 30 10 IEEE CN1C(=O)CC[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1ccccc1 1852086420 LZTBJDLISHDZKQ-URXFXBBRSA-N 447.539 2.228 30 10 IEEE N#Cc1ccc(OCCCOCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1852786173 GIXBLVRJPPVEBD-UHFFFAOYSA-N 447.532 2.489 30 10 IEEE COc1cccc(C#N)c1OCC(=O)NC1CCN(C(=O)COc2cccc(C)c2)CC1 1853219956 HSZDCGPPPWUKGQ-UHFFFAOYSA-N 437.496 2.440 30 10 IEEE Cn1nc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)cc1-c1cccnc1 1853319467 ALJVASRJZTWLKW-OAQYLSRUSA-N 447.495 2.290 30 10 IEEE Cc1noc([C@H]2CN(C(=O)CCON=C(N)c3ccc(C)n3C)C[C@H]2c2ccccc2)n1 1853407984 VQCXGMYVWHZPJM-OALUTQOASA-N 436.516 2.462 30 10 IEEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)ccn1 1853614939 QKKUAZXYSLBNFA-MRXNPFEDSA-N 441.387 2.275 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CSc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857074498 KEFSKQDFDLYULO-LPHOPBHVSA-N 433.549 2.402 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862704332 XMZWMUBBVFBHQJ-IBGZPJMESA-N 439.424 2.318 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1 1866726962 GZFWVMACZGEHOU-UYAOXDASSA-N 435.480 2.329 30 10 IEEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868783921 UNAQKMPJLAPDKG-VQIMIIECSA-N 431.606 2.082 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)Cc1ccc(OC)c(OC)c1 1873710877 XQJGGQNXRXJRKC-UHFFFAOYSA-N 431.514 2.027 30 10 IEEE Cn1nc(Br)c(Br)c1C(=O)ON1C(=O)c2ccccc2C1=O 1888183058 IZOXVMMZFBJSEP-UHFFFAOYSA-N 429.024 2.313 30 10 IEEE CC(C)(C)[C@](N)(C#N)Cn1cnc(I)c1I 1995380948 SDHVLBSCPVHJRL-JTQLQIEISA-N 444.058 2.359 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068906805 CBHURMTWYHOPOV-OAHLLOKOSA-N 440.321 2.096 30 10 IEEE C=CC1(NS(=O)(=O)c2ccc(N)cc2Br)CN(C(=O)OC(C)(C)C)C1 2075318967 AUOJGTDQNMUHIW-UHFFFAOYSA-N 432.340 2.485 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cn1 2118173028 ZSYHADJHSCFIRR-HNNXBMFYSA-N 428.392 2.089 30 10 IEEE C=CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(Br)c1=O 2172901879 YCWNNLNMJZFONV-OLZOCXBDSA-N 443.342 2.222 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cc(C#N)ccn1 2195260856 ISFWGSSXPAQKMR-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2231051646 CDJLROBYVMUDFO-UHFFFAOYSA-N 434.165 2.430 30 10 IEEE Cc1nc(C(=O)N(CCC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2247837473 SMHPTVPXUPXATD-UHFFFAOYSA-N 429.351 2.269 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401669 MICJKESVUCGWFD-WCQYABFASA-N 439.343 2.063 30 10 IEEE C[C@H]1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1NC(=O)C(F)(F)F 2254792699 XSTYVZPYKIIKFE-WCQYABFASA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255826779 RYYVFZXAQJWSPM-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255844074 QCVZUINFYGZNDI-CQSZACIVSA-N 436.362 2.047 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267092878 YSPQBAXQBLCREL-AWEZNQCLSA-N 446.357 2.038 30 10 IEEE C[C@H]1C[C@H](N(C)C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267132981 XBMMYORBAMRUHJ-HKUYNNGSSA-N 438.381 2.454 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267138670 ZCHOLDYGNXMSRL-GOEBONIOSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267187681 BKLBCHZEOUDTNX-UXHICEINSA-N 438.333 2.304 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267188210 JFHOOOMSYFLUCV-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2267213480 CCPMDXCUZHGTFJ-IBGZPJMESA-N 432.333 2.231 30 10 IEEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267268372 UBLDRVOSVGAWFT-PKOBYXMFSA-N 436.365 2.416 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267548359 FZYFLXFSKIOIGH-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCCC34OCCO4)s2)OC1(C)C 2267714839 OALQDOXYRSSZFQ-CYBMUJFWSA-N 429.369 2.011 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871685 CTRHFITZKBZXLR-CQSZACIVSA-N 446.357 2.103 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880128 PLOXVZXDKSZOLU-HUUCEWRRSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268646220 IMQCPIRHXAGZES-HUUCEWRRSA-N 447.341 2.080 30 10 IEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271390951 XOGSGPXTWRINTE-GOEBONIOSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(O)[C@H](N)C#Cc1ccc(Br)cc1 2278790989 PVPGNPFZRRWROS-GPMSIDNRSA-N 425.323 2.173 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 2317776805 ACEDBYUYPXYTFD-UHFFFAOYSA-N 440.477 2.454 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2337208916 PJGNQAOASVGYEJ-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)Nc1ccccc1F 18760056 UQVIYKFPONYOLI-HSZRJFAPSA-N 437.427 2.473 30 10 IEEE O=C(CCSc1n[nH]c(N/N=C/c2cccc(O)c2)n1)NCc1ccc2c(c1)OCO2 20906707 GBAVNURIGJFASM-SSDVNMTOSA-N 440.485 2.484 30 10 IEEE Cc1ccc(NN=C2C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 254289791 QKHJBNZTHXPDKX-UHFFFAOYSA-N 427.402 2.069 30 10 IEEE C=CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 410068017 ZGLFPUREYPOHLG-QGZVFWFLSA-N 432.498 2.316 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccnn2C)c(=O)n1CCC 430972829 UQFYMKKLNNXOFS-UHFFFAOYSA-N 449.580 2.140 30 10 IEEE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)CCN2CCOCC2)C1 444137461 HIWWGGVBIMNFRY-UHFFFAOYSA-N 437.588 2.482 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 460382578 AQEYWTLIPYUGKV-WOJBJXKFSA-N 445.589 2.399 30 10 IEEE Cc1nsc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CC2)n1 461170893 WBYUAGCGQSVLOU-GOSISDBHSA-N 436.545 2.482 30 10 IEEE COC(=O)c1ccccc1CC1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 463223637 QOWYHTDHEWLZEH-HSZRJFAPSA-N 440.588 2.420 30 10 IEEE N#C[C@]1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCc2ccccc2C1 471929164 CWCHPHXYIMGJAJ-NRFANRHFSA-N 445.566 2.201 30 10 IEEE COc1ccc(C(=O)NCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 473584079 WVNQNVNSIIVZQH-FQEVSTJZSA-N 426.904 2.487 30 10 IEEE COc1cccc(-c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)n(C)n2)c1 477087394 WYTRJBSOBZTWCF-AWEZNQCLSA-N 439.497 2.273 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 480006509 HIMQQJWWRPDMJS-MRXNPFEDSA-N 434.475 2.328 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497572462 AOMKQRPRZMXZJP-AWEZNQCLSA-N 443.575 2.301 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)OC)c(C3CC3)n2)c1 503518608 WNOWCIKJPKXTCV-UHFFFAOYSA-N 429.498 2.140 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)cc2)c1N 505874740 MZQCZBHDFPMBOX-SFHVURJKSA-N 442.458 2.469 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(CCOc2ccc(Cl)cc2)CC1 508796858 YDYCHENUQCOEOQ-UHFFFAOYSA-N 432.956 2.457 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 508908445 SZMUXADTRPSNQC-FQEVSTJZSA-N 447.499 2.388 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 508920939 WVVOVPRHPRGXFT-UHFFFAOYSA-N 435.488 2.412 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)c3cnn4cc(Br)cnc34)CC2)cc1 537650480 HRZMPQAXZRVIRB-UHFFFAOYSA-N 425.290 2.321 30 10 IEEE COc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F 550124089 KCLOURUKAOKEFC-AUUYWEPGSA-N 438.459 2.195 30 10 IEEE CC(C)n1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 559124930 XGQOREDVENCUDV-IRXDYDNUSA-N 449.515 2.144 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)c1 612193442 JOUQNWUFSXVKGK-FQEVSTJZSA-N 446.528 2.483 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 726575673 XRDQIULELFZCOU-RDJZCZTQSA-N 442.585 2.159 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1-c1cccc2cccnc12 731547124 PUFYGZIXMVQEOV-UHFFFAOYSA-N 432.465 2.255 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 740756499 LYYZXSCWYQSWBC-UHFFFAOYSA-N 431.537 2.163 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 741732384 RVTMWFBEAGRKNX-GJZGRUSLSA-N 436.472 2.335 30 10 IEEE Cc1cccc(C2(O)CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1C 742099993 FUBWIOBUAJUEBN-UHFFFAOYSA-N 441.553 2.242 30 10 IEEE C[C@@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744367960 IALVKCSJIKUTFC-GGSHGAKASA-N 435.505 2.454 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1C1CC1 748064260 NOJPFEPEHSZKCF-UHFFFAOYSA-N 430.533 2.362 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CCN1C1CC1 756780700 RGQGQPVMSPGWDZ-HNNXBMFYSA-N 447.326 2.375 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC1 758664047 SZVMNFXBEDKFNA-QFIPXVFZSA-N 433.508 2.201 30 10 IEEE C#CCCCCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 760260211 UEDAGUYMNMITLS-UHFFFAOYSA-N 438.521 2.176 30 10 IEEE C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1=O 764751905 IHDUFYHYEOLECO-LLVKDONJSA-N 426.260 2.421 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)ccn1 766275007 LLZQYDHJKUPVHD-UHFFFAOYSA-N 430.486 2.238 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 769716581 MJPCYTNTQAWZLQ-GREKMHCPSA-N 431.242 2.042 30 10 IEEE Cc1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c(=O)[nH]c1C 770674570 HXLQRMHWKWBVPU-JJIBRWJFSA-N 431.518 2.232 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1Cc1ccc(F)cc1F 791762706 KZFBGDFIYLXNQQ-UHFFFAOYSA-N 431.424 2.045 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2cccnc2F)C1=O 794441434 ROEWLCMMPQJHTL-INIZCTEOSA-N 429.477 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCO[C@H](c3cccc(C#N)c3)C2)CC1 795968391 JPHARGXQGOORJV-FQEVSTJZSA-N 428.533 2.401 30 10 IEEE Cc1cc(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(C)n1C[C@@H]1COc2ccccc2O1 798740765 BNRMNGXURGOJLN-DLBZAZTESA-N 449.467 2.395 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 802571045 GPMKVACXPBUPPK-AWEZNQCLSA-N 427.900 2.102 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCc2c(cccc2N2CCOC2=O)C1 812178964 NKHXFKHFHIISTO-IBGZPJMESA-N 425.489 2.461 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 915612420 RUYVJCDBWMEZEZ-AWEZNQCLSA-N 437.543 2.013 30 10 IEEE COc1ccc(-n2ccnc2SCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 916775444 UESGDBBJCBJZTK-UHFFFAOYSA-N 442.522 2.491 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n([C@@H](C)c3ccccc3)c2=O)cc2c1OCCO2 917794439 IZJYURICBCOGKN-HNNXBMFYSA-N 445.500 2.326 30 10 IEEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccccc3C#N)c1=O)O[C@H](C)C2 917800051 VRFJDXGYBPSFBZ-CQSZACIVSA-N 440.484 2.129 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 918969428 JNFMGZRXTYUISF-CQSZACIVSA-N 434.436 2.109 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1134817652 FGVIZEHQHCWDGP-UHFFFAOYSA-N 443.529 2.490 30 10 IEEE COc1ccc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(OC)c1OC 1136579239 LWQRATVKJNXPIW-UHFFFAOYSA-N 436.461 2.121 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1140723897 QULSETDMECCCNK-JKSUJKDBSA-N 439.944 2.177 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3cccnc3N3CCC[C@H]3C2)s1 1152378628 RLAHZEIDPSNQMS-INIZCTEOSA-N 432.571 2.161 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1156669400 AJBSUUXKAOMJLJ-YWZLYKJASA-N 426.454 2.349 30 10 IEEE CC(C)[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCN(C)CC1 1160885468 DLNQZZXSBNERJG-HXUWFJFHSA-N 448.409 2.145 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 1179721108 DEXKZIFOYYFYME-MSOLQXFVSA-N 449.573 2.480 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1 1180773710 FOECKUUPYVKOPC-UHFFFAOYSA-N 427.501 2.354 30 10 IEEE C#C[C@H](NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)c1ccc(Br)cc1 1230499370 VAJDAQTWMDSTQM-INIZCTEOSA-N 428.352 2.189 30 10 IEEE COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cccc(C#N)c2Br)cc1 1264581987 MGEFNDQNOUAGAF-UHFFFAOYSA-N 430.258 2.405 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)cc1 1264646016 ZRMRNDBKMPKSRG-GFMRDNFCSA-N 446.573 2.477 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CC2)nc1 1264925328 AADTVGBEMWDXOO-HNNXBMFYSA-N 425.439 2.370 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1286348602 MJFHJEOJNJJSQM-FQEVSTJZSA-N 434.544 2.384 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1286384288 HIEJVQDZDPYEPW-IEBWSBKVSA-N 440.573 2.309 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCS(=O)(=O)C1 1286385380 XDMNCYSFFLLPPW-FQEVSTJZSA-N 441.557 2.000 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCS(=O)(=O)C1 1286385382 XDMNCYSFFLLPPW-HXUWFJFHSA-N 441.557 2.000 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCN1CC 1286400534 BKTDCGRAXORSJW-HXUWFJFHSA-N 439.585 2.296 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1286448071 PEKFHLWUDOAKLI-IBGZPJMESA-N 427.574 2.093 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCOCc2ccccc2)CC1 1286476896 IUCSXXDOWATZJS-UHFFFAOYSA-N 433.560 2.431 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286704995 MKCVTJWXZQDVCE-UHFFFAOYSA-N 446.596 2.190 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286729340 PXCFXDRJTSUVSL-SFHVURJKSA-N 433.578 2.378 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1286788109 QHMVHZJFJLTQRY-INIZCTEOSA-N 430.940 2.064 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCC[C@H](C)C2)n1 1290645555 BFWYXUZXKLQRPQ-FXAWDEMLSA-N 440.596 2.379 30 10 IEEE C=CCN(C(=O)c1cc(S(N)(=O)=O)oc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1296420602 MBYZCUAKBGSXLV-HNNXBMFYSA-N 440.905 2.383 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCS(=O)(=O)c1ccccc1 1300536650 ZNXQBWAJWDBYQK-LJQANCHMSA-N 426.542 2.109 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)(C)C)cs1 1300579093 RRNAYSSTZNNIQR-INIZCTEOSA-N 445.614 2.445 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1300754483 ADSSDPNVBRBOGG-JOCHJYFZSA-N 426.590 2.316 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@H]1CC 1301497431 WLSLPKPVTDWIIL-HZPDHXFCSA-N 435.532 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1301585864 CNLOCPHUAIMNMR-OAQYLSRUSA-N 436.553 2.314 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)CC1=O 1301927464 GOSSKOQYVNHKCC-GOSISDBHSA-N 438.532 2.070 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cc(C(C)(C)C)no1 1303833409 HEPBATCWQFDUPC-AWEZNQCLSA-N 449.581 2.352 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1C 1304424894 IPLCGLGVCFSLOR-FQEVSTJZSA-N 440.548 2.365 30 10 IEEE CCCN([C@@H](COC)C(=O)OCC)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309400111 AVXMWBUZVXLHKJ-HNNXBMFYSA-N 433.324 2.300 30 10 IEEE CCOCCn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314491910 UMZFUDPWLXTHDS-UHFFFAOYSA-N 426.569 2.288 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1316032625 HTUSHMSQDJNFCF-MRXNPFEDSA-N 436.520 2.428 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCC(F)(F)F)CCO1 1316537932 GFNSUGAAUVSYJS-ZDUSSCGKSA-N 434.378 2.099 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1S(=O)(=O)NCC#N 1319486533 RWNUBRIKRXHZGP-ICSRJNTNSA-N 430.505 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)NCC)CCC1 1358877773 KGUQQGJVJSTJQJ-MRXNPFEDSA-N 443.573 2.113 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1c[nH]nc1C 1358885984 VKWJPSOJIJDLHM-HNNXBMFYSA-N 440.577 2.360 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1358911608 ZBUNFNMTSUVQRL-QGZVFWFLSA-N 427.578 2.433 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1358945952 BHNNOTCIUQBYRD-SFHVURJKSA-N 433.560 2.476 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN(C)Cc1ccc(F)cc1 1358997033 BDYLVCVIHLAAEG-UHFFFAOYSA-N 436.535 2.135 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(CC)C1 1359025304 JWEIXXPRONBOAE-RXVVDRJESA-N 425.533 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCNC(=O)C2CCC2)CC1 1359044972 SWZNACPNRPSXPR-UHFFFAOYSA-N 440.592 2.208 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C 1359066072 MOCBNCJPFCMZEB-HTAPYJJXSA-N 444.605 2.138 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1359098911 HMAMWICPCRHMCZ-DCXXXQMHSA-N 438.594 2.167 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359301598 CWZUNKZIPNPTLZ-UHFFFAOYSA-N 442.539 2.005 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359301795 LFTJDEWSJUTKHC-OAHLLOKOSA-N 427.402 2.078 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc(C)c2)CC1 1359334435 FOEUMBKKKAMJIK-UHFFFAOYSA-N 429.590 2.466 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1359754298 BOKRHMKAVBXZOV-WOJBJXKFSA-N 427.505 2.005 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1437897523 GUBQWWDHDQUXNZ-IYBDPMFKSA-N 436.530 2.048 30 10 IEEE COc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 1445690678 NJRJHJNXVFZDGV-UHFFFAOYSA-N 436.468 2.154 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 1449420998 FHJAMRXQNGDWPN-UHFFFAOYSA-N 441.509 2.084 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1451320905 BICQCIJQUYEPKK-NCYKPQTJSA-N 432.586 2.400 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 1452790937 NGFVTAUSACHKRL-VFNWGFHPSA-N 447.944 2.389 30 10 IEEE COc1ccc(Br)c([C@@H](CO)N(C)S(=O)(=O)c2cncc(C#N)c2)c1 1463732622 APSJKXWCXLVCGU-MRXNPFEDSA-N 426.292 2.078 30 10 IEEE Cn1ccnc1[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 1463862127 DGQRHCNMISMPSD-BXUZGUMPSA-N 443.298 2.392 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1475468075 GEFGUCSGTLOUMD-CALCHBBNSA-N 428.562 2.293 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)[C@H]2C1 1479233626 UQDFZTOGLKFICB-NHCUHLMSSA-N 439.560 2.498 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1505003148 YFNWOBIKSOVJCB-MDZRGWNJSA-N 433.484 2.337 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCN(CC)CC1 1507524396 BFJWRHMRHPCXIW-MOPGFXCFSA-N 438.576 2.200 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCOc1ncccc1F 1507654743 RSIWXEQDKXEIHB-UHFFFAOYSA-N 430.443 2.415 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1507656579 YMEXJARATRAYOE-ZJSXRUAMSA-N 436.512 2.277 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1507710504 HJMGOZLTPYKHCW-ZWKOTPCHSA-N 435.569 2.371 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)OC)CC1 1507725847 BNVDDKAVGKXSCN-INIZCTEOSA-N 448.365 2.410 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1507733066 XGZZXPMQQBRRTR-NTKDMRAZSA-N 441.576 2.418 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1507828754 GHKCMAJMOLABKR-RTBURBONSA-N 438.580 2.128 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1507926065 OCJRFHVSEXDZGU-IBGZPJMESA-N 427.505 2.024 30 10 IEEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507944688 VXXXTJHEYRKHQC-IBGZPJMESA-N 436.560 2.356 30 10 IEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507964737 FZACLDAXUJYARO-LJQANCHMSA-N 445.589 2.351 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1508022423 YTQAJEINEPFHIJ-GOSISDBHSA-N 426.546 2.478 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1508080936 GHQWMIPSTTXOLG-UHFFFAOYSA-N 448.571 2.407 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1510147187 ACJUBYMBGTUSDM-UONOGXRCSA-N 448.549 2.182 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)C1 1517662664 PNVYLIZOWFYDQP-UXHICEINSA-N 439.516 2.402 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1517900326 KBHDRKKNVFFVCM-MIZPHKNDSA-N 441.532 2.274 30 10 IEEE C=CCn1cc(CNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)nn1 1529543580 GCHSKQIFIOMBNZ-UHFFFAOYSA-N 427.324 2.097 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1539210792 DWMCOZJXRKEQFW-KRWDZBQOSA-N 449.483 2.073 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1539383984 RFRHIULFPCEMSW-INIZCTEOSA-N 439.582 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCNC(=O)C(C)C)CC1 1539480521 AWFNIILKZFPCQU-UHFFFAOYSA-N 428.581 2.064 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539490853 ISEGKMOEYPFHNC-OALUTQOASA-N 432.638 2.291 30 10 IEEE C#CCSCCn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@]1(OCC)CCOC1 1539530625 KLSYTQSLOGZGAX-IBGZPJMESA-N 438.985 2.320 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539632389 RFLGBFZSWRTOGZ-OTWHNJEPSA-N 431.581 2.458 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1539758433 HNPHJCVBBSPQEY-UHFFFAOYSA-N 436.516 2.132 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)N(C)C 1540191131 DMINGGOQUOAVEN-UHFFFAOYSA-N 428.356 2.496 30 10 IEEE CN(C(=O)[C@@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1CC1 1540575053 HEOIKZVUIVWSNM-QYSXUHOCSA-N 448.589 2.296 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540854855 IKWZETXCTPGCAE-UHFFFAOYSA-N 436.497 2.070 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1540874001 RKMVEPRJDSUDCP-LJQANCHMSA-N 438.532 2.053 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCN(C)C2)C1 1540895056 KQSRSEBCTIACJH-RDPSFJRHSA-N 441.576 2.322 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CCC1 1541472113 YWIBDVAXMDWCOI-WJOKGBTCSA-N 441.605 2.371 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1541641799 KAWGCEGOQCCMDL-QGZVFWFLSA-N 436.472 2.205 30 10 IEEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)on1 1542160198 KNMHKRVLYDRVON-XLNRJJMWSA-N 434.474 2.307 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)C1CCCCC1 1542629654 WCZBYEDOEURUPU-UHFFFAOYSA-N 436.534 2.488 30 10 IEEE CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1547412473 HMYCDPCTIWRRSB-UHFFFAOYSA-N 427.553 2.295 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cc1OC 1554849737 HMQVCERWVJWSEG-SFTDATJTSA-N 431.468 2.210 30 10 IEEE COc1ncccc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1555128195 MOIGZNQILCMWHG-RTWAWAEBSA-N 430.484 2.213 30 10 IEEE CCOC(=O)C[C@@H](NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(F)(F)F 1557387405 HEDVUGDVCHOLME-ZCFIWIBFSA-N 441.275 2.446 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1557528772 JTYROMBPRDBUDH-OGWOLHLISA-N 441.500 2.070 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1nnc(O)n1C1CC1 1570885507 ILWCITADKZWWAD-UHFFFAOYSA-N 436.266 2.047 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1587632415 LRIDGXXOURYOES-RTWAWAEBSA-N 437.592 2.237 30 10 IEEE C#CCCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1587793920 XQQMARJJWJHKDH-KGVIQGDOSA-N 431.537 2.057 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1587808519 SVSFGXJHBCWXCJ-ICSRJNTNSA-N 444.605 2.012 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588059650 RJYYTWQEMJLDQD-PMACEKPBSA-N 429.590 2.079 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H]1SCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588060126 ZZYNGIXDXOSEOE-MJGOQNOKSA-N 430.599 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3)[C@@H]2C1 1588148804 VCYXXAJYGVXKDY-QRVBRYPASA-N 440.500 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)on1 1588228285 DAJMPVVTLYIXJE-UHFFFAOYSA-N 430.516 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1588229638 ZYFQAHBPSPUJKI-RPWUZVMVSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1588245557 JIDHRTLDNJQUBQ-QGZVFWFLSA-N 436.585 2.493 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSC(C)C)CC1 1588864510 FAYVQKVVPBZBLK-UHFFFAOYSA-N 432.619 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(N(C)C)c2)CC1 1588968314 HXLUARHPTUEPHJ-OAQYLSRUSA-N 436.560 2.210 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589484925 WENXFLQTFXNONA-AEFFLSMTSA-N 425.599 2.243 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1594237316 QFJFVVYELSHAEL-IBGZPJMESA-N 445.589 2.483 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1595093699 HAVUULMZSISJEU-OALUTQOASA-N 447.543 2.208 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1595234318 OTROKOGNRHEFOR-JPYJTQIMSA-N 427.549 2.191 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1595838288 OKUJGANPGCUANF-UHFFFAOYSA-N 430.534 2.234 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1595884804 UBXGROJJABGZSG-LPHOPBHVSA-N 428.624 2.495 30 10 IEEE CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603400019 CTYTYNMOFRUPRQ-VGHMCYQWSA-N 428.537 2.007 30 10 IEEE CC[C@H](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613139857 QXXUXKVWHISNMD-DOXZYTNZSA-N 426.521 2.378 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1614348862 DBFWZAVTSQRSPV-KRWDZBQOSA-N 449.559 2.180 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)CC1 1615578109 OLENRSSUQSMOJT-PKTZIBPZSA-N 440.588 2.275 30 10 IEEE CCOCc1nnc(N(C)Cc2cccc(F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1616688833 ALUNSDJJBIPLSF-FMQUCBEESA-N 428.468 2.117 30 10 IEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)c3cccc(C#N)c3)CC2)cn1C 1617386245 OZISONHRZQIAGR-UHFFFAOYSA-N 429.546 2.052 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1619614589 MCCFHSPZJHECLC-ZWKOTPCHSA-N 426.496 2.296 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1F 1622238998 GBLSUDHJZKGTPD-UHFFFAOYSA-N 437.518 2.350 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN(C3CCOCC3)C2)cc1 1625218571 HTJUWGVTIAHBDG-FLFQWRMESA-N 448.589 2.329 30 10 IEEE COCCN(CCC#N)C(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1626868211 MLSYDMJSXDOOHI-UHFFFAOYSA-N 449.507 2.371 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 1628324957 ZTAXNBXARFLRAW-CTNGQTDRSA-N 433.430 2.013 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1628632514 NDJRUAJGYHLPAI-SQZREULQSA-N 425.529 2.426 30 10 IEEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 1633349567 LAIGVZLDRGCWGI-ZWKOTPCHSA-N 427.482 2.027 30 10 IEEE COC(=O)[C@@H](CC(F)(F)F)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1633566339 LEAUCCWTHNHDHT-GFCCVEGCSA-N 434.212 2.367 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCOCC4(CCOCC4)C3)C2)C1 1633864842 RHFHBOUDBWNYTC-FRIYVGAWSA-N 433.549 2.429 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)CC1 1634632772 FGZPPOOVPMPJNU-HXUWFJFHSA-N 434.606 2.476 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 1640376083 KRGIDNHHWONOCM-IKGGRYGDSA-N 431.599 2.460 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(Cc3ccncc3)CC2)s1 1640973500 ONPDLTBVODDAEZ-UHFFFAOYSA-N 448.614 2.178 30 10 IEEE C[C@@H](C(=O)OC(C)(C)C)N(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1642978819 VWAVHHDQEWTJRK-KSSFIOAISA-N 440.500 2.484 30 10 IEEE COc1ccc(N(Cc2ccccc2)C(=O)CCn2cc(C#N)c(O)nc2=O)cc1OC 1653961942 AYSGCGBGPBSKFJ-UHFFFAOYSA-N 434.452 2.461 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)ccc1Br 1662369692 GIUKUDWOBKLLIW-NSHDSACASA-N 447.257 2.317 30 10 IEEE COC(=O)c1cccc2c1CN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1672352851 KLRDRDKQHBQKPQ-OAQYLSRUSA-N 432.480 2.214 30 10 IEEE COc1cc([C@H](C)NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1S(C)(=O)=O 1676808026 MRHNGLCKJLNBMF-KBXCAEBGSA-N 431.514 2.406 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CCOCC1 1682887401 KNGIMAJQSHCAHY-SFHVURJKSA-N 434.334 2.345 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)on1 1683044586 QLDGEUAUHABSQA-UHFFFAOYSA-N 435.488 2.296 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccco1 1689846245 HZIBURDLQRXFQO-QVKFZJNVSA-N 442.545 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnc2n1CCCCC2 1690010062 UZPNITLVIYXJAY-UHFFFAOYSA-N 445.527 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1690011777 CSIRZLKGAQUOPZ-HXUWFJFHSA-N 426.402 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@](=O)CC 1690031473 LTJFGWJLWZQXFF-SSEXGKCCSA-N 445.976 2.093 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1690236564 OLYVKMGXPHNQTN-IEBWSBKVSA-N 429.569 2.384 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)CCC)C1 1690245557 JWPICXWJKOOYFE-JTJHWIPRSA-N 430.597 2.379 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1690313428 UDPUOIRPJYCLBV-PXNSSMCTSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](SCC)C1 1690669316 ANEDGLBKDFOSKJ-OAHLLOKOSA-N 446.577 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1690726451 AKFNRRXZHIJKLS-KRWDZBQOSA-N 443.573 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC=C(c2ccc(O)cc2)CC1 1690729271 KLCVQKLBYWDHQL-UHFFFAOYSA-N 432.546 2.415 30 10 IEEE Cc1c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1692937419 FNIMXQQDIGMFFU-KRWDZBQOSA-N 429.431 2.366 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)C[C@@H]1O 1693646606 DQDCHLHANCTASR-ZCFPFICJSA-N 425.533 2.487 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)c1 1697498407 HDFKNTPBVOSELC-JOCHJYFZSA-N 437.479 2.164 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1705669871 ZHQFAJKQIKHTDS-GGAORHGYSA-N 432.565 2.366 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)nc2OC)CC1 1705784222 MGOOUKDWPITMDL-UHFFFAOYSA-N 426.521 2.263 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCS(=O)(=O)CC2)CC1 1705785772 VUQJBWNCMPARTF-OALUTQOASA-N 438.594 2.229 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1705792152 NXAWNJSINDJGCY-IAGOWNOFSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C)s1 1705894711 IJDZFDQUOFWIHR-UHFFFAOYSA-N 425.518 2.234 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705904416 OPXQEDPVKRHEOV-UHFFFAOYSA-N 442.564 2.341 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1705923865 OVYIWYXBFFLKGO-GOSISDBHSA-N 436.491 2.332 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n1 1707732202 HYBDHFJSELZUFC-OAQYLSRUSA-N 437.529 2.244 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H](C)S1 1708181005 HUEFDPQFXSJFQS-HOTGVXAUSA-N 426.546 2.006 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCc2nnc3n2CCCCC3)CCOC1 1710415887 DYQFBWKCBZFSKN-VGSWGCGISA-N 442.568 2.229 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC)cc1 1710537341 CHBUJZNPXARKTP-BTYIYWSLSA-N 430.484 2.395 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)CCOC 1710731042 DQVZFABNJJPBOZ-UHFFFAOYSA-N 427.553 2.471 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1712521265 IGHFIIYHCGKDBW-INIZCTEOSA-N 447.561 2.194 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccc(C)s1 1722354172 LNUIGFILMMJERA-UHFFFAOYSA-N 435.600 2.348 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1722372055 ONGVBCSYFARKOM-YOEHRIQHSA-N 433.603 2.426 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1722409714 FQRMRGGCMJFYIQ-SFHVURJKSA-N 438.557 2.415 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1NC(=O)CC1(C)C 1722427181 QOGUNOLNXJLJEW-SFHVURJKSA-N 431.487 2.148 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@](C)(O)C2CC2)CC1 1722430877 JUNKQJREOWDTJL-UZUQRXQVSA-N 427.524 2.473 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1722453486 UVPIXTOZAJPTHQ-SFHVURJKSA-N 427.578 2.227 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722531623 UWLOHPXYPQXEBE-UHFFFAOYSA-N 449.577 2.018 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1722598093 XOEPSAAYTIYACM-UHFFFAOYSA-N 446.577 2.166 30 10 IEEE Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1724241701 DUPGLLJPPNXTQI-LZJOCLMNSA-N 447.536 2.398 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1C 1724437577 FNDIXEVBVCLOKB-OAQYLSRUSA-N 448.527 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc2c1OCCCO2 1740644652 OISCCAHDZRRJFM-UHFFFAOYSA-N 433.512 2.187 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)C(C)(C)C 1740664375 NSCXIUCSVZCJEI-NDEPHWFRSA-N 436.603 2.355 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1740785803 CSYBYWKOKGVTIY-HNNXBMFYSA-N 425.555 2.161 30 10 IEEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740859277 JITSBDLOKRUNMY-IBGZPJMESA-N 429.521 2.270 30 10 IEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1740884859 OWFOTHKZJDEGJV-OAHLLOKOSA-N 438.488 2.186 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1740884920 QSLDTFKLWLARTA-UHFFFAOYSA-N 425.537 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740955905 IHKDZPRLGHMQMP-KRWDZBQOSA-N 426.521 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC2(CCOCC2)C1 1740990252 NSFZVPLOFKLZOY-UHFFFAOYSA-N 431.562 2.256 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C(F)(F)F)O[C@H](C)C2)n1Cc1ccc(C#N)o1 1741647207 KDLRWYCECMEYET-RISCZKNCSA-N 426.399 2.085 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccccn1 1741710285 CCEOAXFQLXNXAP-UHFFFAOYSA-N 439.545 2.176 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cnn(C)n1 1741980914 FTMFHYWPTVVQJK-NVXWUHKLSA-N 440.483 2.047 30 10 IEEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742812102 JWPVMHYQELBQDU-QAHCAUCSSA-N 445.527 2.444 30 10 IEEE COc1ccc(COCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 1748838577 UJTCFRPCHLXUOA-WMZOPIPTSA-N 447.561 2.144 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1748926050 PZAXELTYWRUGBL-MRXNPFEDSA-N 428.541 2.029 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1748959444 UEGZNWKJKLSVEQ-UHFFFAOYSA-N 447.543 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](F)COC)CC1 1749015657 ILPPYWHNBDDJHP-HXUWFJFHSA-N 427.524 2.014 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1749022742 LOPYPJCLVMBXLC-SJORKVTESA-N 439.593 2.311 30 10 IEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)C#C 1749037940 KTIBDPDSXTULQS-IRXDYDNUSA-N 433.578 2.411 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749126506 CWALENQFZGZWEL-PKOBYXMFSA-N 437.610 2.387 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749458229 ZYMJMUAOIMJIDL-OALUTQOASA-N 427.553 2.477 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1749537207 BUSWJWOOWXRDDG-IBGZPJMESA-N 426.546 2.155 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCOCC1 1749544159 AYTNXWBTHLXZMX-KRWDZBQOSA-N 432.594 2.391 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749657592 BQFODPDHQXJMNC-QFBILLFUSA-N 444.967 2.058 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1749679758 ALUNSQKRPQZVRG-ROUUACIJSA-N 442.564 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2nccs2)C1 1749721268 FGZBGLAOFJPVTG-LSDHHAIUSA-N 425.580 2.427 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(Cc2ccccc2)c1 1750058674 HQKRADXTGUDCJY-SFHVURJKSA-N 432.532 2.403 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccco1 1750078341 FLKGNVCRFWVYJR-VBKZILBWSA-N 428.518 2.366 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1750153869 ALAJNXFXMKWYLC-OMZCGLGVSA-N 433.553 2.182 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1750754253 UHGLUHRQWBJDDS-DEOSSOPVSA-N 435.576 2.149 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCOC(F)F)CC2)c1C#N 1751828232 UYEBUCAIGNMMLH-UHFFFAOYSA-N 445.478 2.143 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN2CCOC[C@H]2C)c1 1760127321 WHOZFSOIWSZKGA-GOSISDBHSA-N 438.576 2.353 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1760181886 CZPVXSCVRJBLJJ-FQEVSTJZSA-N 438.557 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1-c1ccccc1 1760211441 HIHSYDWLVDEHNY-DEOSSOPVSA-N 445.527 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(O)(CCC)CCC)CC1 1760272841 AMVVLIHAEWEZRB-LJQANCHMSA-N 431.581 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccccc1 1760288408 BMFZZVLYKLQKON-PGRDOPGGSA-N 444.605 2.012 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOCC)C1 1760313549 OISZLJVYOOJBEG-HSALFYBXSA-N 447.580 2.127 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)CC1 1760389515 MGJHIZMZZSKJBG-QGZVFWFLSA-N 437.591 2.072 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760431004 AXHSKEDVODAEKH-UHFFFAOYSA-N 428.497 2.012 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCN(CC(C)C)C1 1762610617 DDLSCGNYVUOQDL-QUCCMNQESA-N 437.596 2.331 30 10 IEEE C[C@@H]1C[C@@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1762734657 HUZSAXRJHXNQLJ-SJORKVTESA-N 429.546 2.257 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1766345205 AXCNVOQOOVIWEB-HTAPYJJXSA-N 428.512 2.428 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1766540941 SYPWFELOKCLJDT-QZTJIDSGSA-N 427.461 2.269 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1768982731 HHXSXRADNKYUFU-HXUWFJFHSA-N 445.570 2.267 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ccc(-n2ccnc2C)nc1 1769846799 HNOJSKRVRNIEDP-LJQANCHMSA-N 436.520 2.434 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1770220853 ODCHJHGBHZMECI-SSTJLMRISA-N 446.596 2.099 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCCCCO)cc1 1770741161 YWZMNJPDXADWMB-NHCUHLMSSA-N 441.532 2.276 30 10 IEEE CCn1cnnc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1772881073 NXTHCYNJFSFBRC-ZDUSSCGKSA-N 443.309 2.096 30 10 IEEE COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)COc3c(C#N)cccc3OC)ccc21 1852540500 QFXBQXZFPFOSNX-UHFFFAOYSA-N 437.452 2.382 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 1852938242 VSIDDMVLLIHRQW-UHFFFAOYSA-N 438.553 2.308 30 10 IEEE COc1coc(CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@@H]2C)cc1=O 1853888729 MQUZFQIGIUTVHZ-ZDUSSCGKSA-N 429.860 2.241 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccccc3C(F)(F)F)C(=O)O2)CC1 1856635751 SOTIGYWHPVFKFS-HNNXBMFYSA-N 445.419 2.232 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1F 1862647249 ZIJYCJSTQJDMQU-SFHVURJKSA-N 447.415 2.128 30 10 IEEE CN1CCC(N(C)C(=O)C(C)(C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868774872 TVELRFBKUBUFMF-IBGZPJMESA-N 445.633 2.472 30 10 IEEE Cc1nc(N(C)C)sc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc(C)c1=O 1873494910 HXTICQQNOJDAOP-KEBDBYFISA-N 449.606 2.201 30 10 IEEE C[C@@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)n1nc(-c2ccc(F)cc2)ccc1=O 1891434924 SOSCQGIJWDCZLL-YJBOKZPZSA-N 448.458 2.342 30 10 IEEE CC1(C)OB(C2=CCN(S(=O)(=O)N3CC(OCc4ccccc4)C3)CC2)OC1(C)C 1998747543 CCEAUGCCUZSXRA-UHFFFAOYSA-N 434.367 2.396 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2010034757 ZVVYLJOXSBFFLZ-GJZGRUSLSA-N 441.525 2.167 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)C1 2020897914 PMEWXJSDKFKBJP-JOCHJYFZSA-N 429.517 2.445 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060641576 KXADGJVMPKKEBH-MTSZKFMLSA-N 436.358 2.155 30 10 IEEE CC1(C)OB(c2cccnc2-n2ccnc2CCN2C(=O)c3ccccc3C2=O)OC1(C)C 2217470623 OAMUMGBAXANQHL-UHFFFAOYSA-N 444.300 2.405 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244603316 ODUCGNBXWOQZBW-OAHLLOKOSA-N 427.542 2.286 30 10 IEEE CC[C@H](CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)NC(=O)OC(C)(C)C 2255537488 XHXHDGZZUHRGFD-CQSZACIVSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628396 HQGGGLANSBZCRX-KBPBESRZSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]21 2255707382 VNSIBVUILYAJNH-BFYDXBDKSA-N 431.342 2.442 30 10 IEEE CCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C(=O)OC(C)(C)C 2255834088 KQMCCIDONJKBLS-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255854319 ALJFQAGQDUYXHF-LBPRGKRZSA-N 430.232 2.110 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C#CCNC(=O)OC(C)(C)C 2256626022 FEGACMTWTJXDNR-UHFFFAOYSA-N 428.338 2.472 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256627146 SEBMWNLMHZOVGU-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE Cc1nc(NC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256675535 HLDWHTASGTXITR-HDJSIYSDSA-N 432.330 2.326 30 10 IEEE CN(CCOCCNC(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256892222 PKZVMJXMDHTHHC-UHFFFAOYSA-N 439.337 2.497 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267129561 CNJFJJWVPTZXGR-LJQANCHMSA-N 438.381 2.361 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2267217726 KWZAWAQPGBOTTB-BRWVUGGUSA-N 445.369 2.452 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267519181 GNLRXFNTHNEUJM-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC1(CCNS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)OCCO1 2267725043 SEKQVUARWHOHRF-UHFFFAOYSA-N 431.747 2.071 30 10 IEEE CC1(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267878848 CDIGUXHNNWUNSN-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(C2OCCO2)CC1 2282836216 HGSPJZJWKQOJEB-UHFFFAOYSA-N 443.396 2.129 30 10 IEEE Cc1ccsc1C=NNc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659692 RTRUWUGWSZEWJJ-SNVBAGLBSA-N 431.337 2.181 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(C(=O)O)cc1 2331570861 CKJAVGKMIJSLGI-UHFFFAOYSA-N 429.458 2.006 30 10 IEEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 18157266 LGYLWMTVHRSFIN-HLGQQVFSSA-N 444.538 2.480 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(Cl)cc3)n[nH]2)cn1 59886838 ZOKMIXMFZGPNEX-ZVBGSRNCSA-N 448.940 2.156 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCCO2 170325617 DROCXOQXWDWRMZ-FQEVSTJZSA-N 439.420 2.411 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 429008024 XBHBBGLTYFPRMU-QFIPXVFZSA-N 434.544 2.076 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2COCCO2)n1C[C@@H]1CCCCO1 461871507 PPQXIZSNRCWDNW-LEWJYISDSA-N 441.532 2.460 30 10 IEEE N#Cc1ccc(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c(Cl)c1 506695094 GFANNENYVXVNSA-UHFFFAOYSA-N 448.888 2.177 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 508818725 UVCRJNXQAFOGQO-UHFFFAOYSA-N 434.522 2.290 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 508873893 OXIPUPPTLANLCP-IBGZPJMESA-N 442.545 2.329 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 508908226 RLQWQBZWURJTAL-PKOBYXMFSA-N 429.546 2.145 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2C)c1=O 514648763 VGTAKHLLNLYTSR-UHFFFAOYSA-N 445.544 2.342 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(C)C)c2=O)cc1C 517985145 OKYHWNCSXRRHSC-UHFFFAOYSA-N 439.581 2.317 30 10 IEEE CCCCC(=O)N1CSC[C@@H]1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 518299080 YPLFFNBGTLCWOB-IAGOWNOFSA-N 432.571 2.490 30 10 IEEE C[C@H](C#N)CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 532820714 KVUGJICTJBIBQW-OAHLLOKOSA-N 433.530 2.009 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 533216304 UXOFSLSESYUSRZ-DEOSSOPVSA-N 432.568 2.081 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1=O 543084665 PLXYTGVLGCAQRG-GOSISDBHSA-N 433.468 2.385 30 10 IEEE N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 553547122 HXTRMNQOEMPZBY-DOTOQJQBSA-N 429.473 2.036 30 10 IEEE COc1cc(C#N)cc(Br)c1OC[C@H](O)CN1C(=O)c2ccccc2C1=O 555565154 VENBJAQKLGZYTO-GFCCVEGCSA-N 431.242 2.365 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccs2)c1=O 556782032 XVHSFICRHKKKCY-UHFFFAOYSA-N 438.578 2.128 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)c(F)c1 572026312 ZIPOQITVENVQRG-KRWDZBQOSA-N 427.455 2.211 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)c(C)c1 604001913 XXWNINNNXYRHAC-UHFFFAOYSA-N 440.528 2.169 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c1F 669650679 KKTFZTUGOYDXGG-MRXNPFEDSA-N 442.512 2.109 30 10 IEEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCc2ccc(C#N)cc2F)c1 729853674 HRHFQTSANQIBIJ-UHFFFAOYSA-N 447.307 2.342 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccsc2)C1=O 730143902 FIDPQMILIXCAQG-QAYQYMSWSA-N 445.614 2.254 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)n(C3CC3)c2=O)cn1 735067964 BRCIFAHJBFFRFV-HNAYVOBHSA-N 439.585 2.049 30 10 IEEE O=C(NC[C@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1)Nc1cccc(F)c1 735855847 AGGPIVZZSLCWBD-WGLILOHCSA-N 443.479 2.102 30 10 IEEE COc1ccc(COC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)cc1C#N 747069582 MUEPMKWAPUOECQ-UHFFFAOYSA-N 427.482 2.471 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)cc1C 751643493 QCLDHQZLKSAHGX-QGZVFWFLSA-N 447.538 2.206 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 756896592 QZWZTVDROLKXRE-UAGQMJEPSA-N 432.546 2.157 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(-c2ccccc2C(F)(F)F)n1 761958612 DYDDGLLHMBUVDE-HNNXBMFYSA-N 446.433 2.337 30 10 IEEE Cc1cccc(-c2noc(COC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)n2)c1 767680605 MUKYVLLCECVWRC-AWEZNQCLSA-N 426.454 2.327 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCC(=O)N1CCOc2ccccc21 772273056 RDSQHPYSABVFSA-UHFFFAOYSA-N 425.445 2.118 30 10 IEEE C=CCN1C(=O)C(=O)N(Cc2nc([C@H]3CCCCCN3C(=O)OC(C)(C)C)no2)C1=O 779595558 KNVSUTUHLCIFRP-CYBMUJFWSA-N 433.465 2.399 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc(NC(=O)c3ccccc3)n2)n1 788813778 ITJCIFVBXIMRRZ-UHFFFAOYSA-N 437.525 2.443 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1 789321194 TYGRIDHKUXAQIF-MSOLQXFVSA-N 426.517 2.002 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccsc2)C1 790742723 SDAKYFMLOKKBKL-GJZGRUSLSA-N 435.575 2.152 30 10 IEEE C[C@@H]1CCC[C@@H]1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 798362152 CEXSYFMBMMTUFJ-JPHZPTSVSA-N 445.633 2.428 30 10 IEEE CSC[C@H](C)C(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 799627703 IEYCGFONPLEVDH-KSSFIOAISA-N 446.529 2.158 30 10 IEEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 800467532 RTETVGIFYTYEGW-UHFFFAOYSA-N 442.682 2.079 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 804453234 VYUGYXPOEWTPPR-IBGZPJMESA-N 442.537 2.081 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 804459525 ONPLPQSSRICIBX-WOJBJXKFSA-N 429.542 2.443 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 805780255 JBWGHTNMGUENGG-GOSISDBHSA-N 432.571 2.102 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)n1 806715824 BWNDQMGUDBGTTJ-UHFFFAOYSA-N 433.459 2.312 30 10 IEEE N#Cc1cc(F)cc(OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 808043521 KTEQUKLZXPODCL-IZZDOVSWSA-N 429.473 2.221 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 812179793 WZTRVTLIUDXPEB-KRWDZBQOSA-N 448.568 2.254 30 10 IEEE COCC1(CNS(=O)(=O)c2cnc(C)c(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 813702901 OAERRQOYNWJZGS-UHFFFAOYSA-N 438.550 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)c1cccc(Br)c1 1141380627 WSEMTMLNXODXAW-CHWSQXEVSA-N 428.283 2.121 30 10 IEEE C#CCN(CC(=O)NCCNC(=O)c1ccccc1C(F)(F)F)C(=O)OC(C)(C)C 1141734407 RDXZNBSNXYJUCR-UHFFFAOYSA-N 427.423 2.422 30 10 IEEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1194992323 BXAMPFGMMRCRMG-SFTDATJTSA-N 432.609 2.265 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1286313921 HRPFNBLNKQXSLT-IRXDYDNUSA-N 431.562 2.479 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286352262 ZIXYTKXVYZHJRX-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1286580794 FGNUMNURSYCQBV-QGZVFWFLSA-N 446.556 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCSC2(CCOCC2)C1 1286819810 WQLJPMZUGOFZDQ-UHFFFAOYSA-N 426.608 2.249 30 10 IEEE Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)C2)n1 1290582200 SLXVUOFWUPDPPD-HXUWFJFHSA-N 447.547 2.345 30 10 IEEE C[C@H]1CN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)C[C@@H](C)O1 1291290478 AKKYCIOXDUCBHS-YESZJQIVSA-N 443.552 2.243 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298484181 VYPGMBXJSNBVAY-ZZEZOPTASA-N 425.468 2.051 30 10 IEEE C#CCCCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1300377817 ZHPQFRKSTXTOCK-QHCPKHFHSA-N 429.565 2.182 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCC#C)CC1 1300409174 GCEXRUUQYGMGGM-OAQYLSRUSA-N 433.512 2.170 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300488535 DYGIHMGDZFPENE-HYVNUMGLSA-N 430.530 2.170 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1300972260 JNHUCIZLXOFOFA-ICSRJNTNSA-N 430.597 2.462 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1301517612 BMJBXVUWQXKTBN-FQEVSTJZSA-N 437.500 2.411 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](SCC)C1 1301578539 DCQSVLLZCOYMHS-KRWDZBQOSA-N 438.623 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(C)C)CC1 1301596336 LXUGUEJMPFWDDQ-OALUTQOASA-N 440.610 2.475 30 10 IEEE COCCN(C)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301740444 KULADCMRDYJLIY-FCHUYYIVSA-N 434.585 2.027 30 10 IEEE COCCOCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302211746 LZYMROJXMNMNCV-GOSISDBHSA-N 445.955 2.223 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)c1 1302560950 DYNFLROPRVPOOE-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C)N(C)C 1303739156 XQPKFJIBWMJECN-MRXNPFEDSA-N 427.553 2.030 30 10 IEEE CCO[C@H](CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C 1314070964 GMZDDSWYNQGQSN-WOIUINJBSA-N 435.569 2.499 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1314391815 UPRYLPANJPZCCK-KRWDZBQOSA-N 432.475 2.437 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1315693214 BIRQZMWVVWGGOF-OALUTQOASA-N 429.546 2.399 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1COc2ccccc2O1 1316269900 PDLOLDJNKDGSNM-YZLZLFLDSA-N 427.505 2.438 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C[C@H]1OC 1316332682 DSCMDLDMWITISM-BGYRXZFFSA-N 438.463 2.161 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(-c4cnccn4)n3CCOCC(F)F)CCO2)c1 1316531693 QKOGZRTYJZMBOG-SFHVURJKSA-N 441.442 2.466 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2=O)cn1 1350516814 RWOBDEQBFITOPN-LJQANCHMSA-N 429.480 2.316 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358951312 QYMCDQBCQTZPBY-INIZCTEOSA-N 426.521 2.187 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(F)c1 1358994315 JVBHHYQCFZIUML-GOSISDBHSA-N 444.532 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC(C)(C)C1 1358996048 PSJMPOQWFFQJRU-UHFFFAOYSA-N 445.571 2.090 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1358999142 GJBMCSSWQOCMRY-UHFFFAOYSA-N 430.553 2.443 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCN(CCC)C2)CC1 1359032212 GMLPYLNMFZVSLV-SFHVURJKSA-N 427.984 2.481 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)C(C)C)CC1 1359038698 GSKJLXHHFXZPAZ-UHFFFAOYSA-N 435.576 2.214 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)CC1 1359039010 SSIHBRDGTVSIDL-UHFFFAOYSA-N 433.541 2.183 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359124760 BZCBNXYWNZDNGZ-OFNKIYASSA-N 432.613 2.111 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1359240050 DYZRYKQPLQXJOF-GJZGRUSLSA-N 427.571 2.058 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1359240086 FQSUTUPEFQACLC-LJQANCHMSA-N 426.546 2.096 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1359240396 NCZCYQHIAINRPD-AWEZNQCLSA-N 438.937 2.275 30 10 IEEE C=CCn1c(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290309 VBLHDUMHDXGODP-YRXWBPOGSA-N 446.596 2.392 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)CC1 1436029781 PGQSFNAEPMTWBM-HXUWFJFHSA-N 441.528 2.345 30 10 IEEE C#CC[C@@]1(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1436762648 ZIUQHMHGZRKODL-ZEQRLZLVSA-N 425.529 2.435 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(C#N)cc2C2CC2)c1 1439660739 BUELGTPUJMUNPX-UHFFFAOYSA-N 428.514 2.267 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCOCC1 1455475869 HOEJOHCYOASAJD-KRWDZBQOSA-N 443.548 2.312 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC2)c1C#N 1459030164 DVTBFOSBQKRCID-CRAIPNDOSA-N 433.434 2.431 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](CO)c1ccccc1I 1460911967 DZFGDSRVQYSKLK-NUTKFTJISA-N 429.302 2.357 30 10 IEEE C=CCCC(C)(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1461771141 XLPZRBJSYJEDHZ-UHFFFAOYSA-N 448.589 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 1464109347 CUCRLYUMSAYNGY-AWEZNQCLSA-N 434.459 2.491 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1466666444 DAPGTGFGHMDOEP-HZPDHXFCSA-N 435.525 2.478 30 10 IEEE Cc1ccc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1467976865 SOABRDSWZCIJGT-UHFFFAOYSA-N 439.369 2.498 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1469871802 GPMPZWQWGCXRGT-WOJBJXKFSA-N 447.582 2.150 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1 1475166237 BLDAKRALEBTIDN-UHFFFAOYSA-N 427.461 2.029 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1502207976 ANFKOXZOMHCTRG-MRXNPFEDSA-N 430.578 2.170 30 10 IEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)cn1 1503390271 FRNJVZQMFIZNRV-LJQANCHMSA-N 430.516 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)c1ccccc1 1507670132 YAGYTZQWYDSZCG-HXUWFJFHSA-N 426.542 2.457 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1OCCC1(C)C 1507706865 QAFWWYJJLQUOTN-IBGZPJMESA-N 446.573 2.250 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1507755805 ICFDALUZXMLGNL-RTBURBONSA-N 439.585 2.491 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1507967100 BJIBJRNSBUIMCF-HNNXBMFYSA-N 435.598 2.231 30 10 IEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508051913 MNTCAHIWVPTHJS-KRWDZBQOSA-N 426.521 2.485 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nncn2CC)C1 1508128545 OIUSTNGTDOJFGW-SFHVURJKSA-N 427.484 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCn2c(nc3c2CCCC3)C1 1508131360 LVYHNKSVTCOVJV-INIZCTEOSA-N 432.594 2.488 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCOC1 1508135346 LNGKBLRQOLHYCJ-HNNXBMFYSA-N 442.488 2.372 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508137244 LTCOWMNHCROVPS-GXTWGEPZSA-N 433.456 2.030 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1508741271 ZRRCELLJQURZAC-SJORKVTESA-N 427.461 2.004 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1516667826 UTXJLWOJKMDOEI-MBSDFSHPSA-N 438.532 2.070 30 10 IEEE CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1517121263 DRTSRWGRTIVHGV-OKXSDPAFSA-N 438.513 2.116 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)cc1 1519164944 WUHTZNDHFVZVPX-UHFFFAOYSA-N 438.488 2.429 30 10 IEEE C=CCn1cc(CNC(=O)c2cc([N+](=O)[O-])cc(I)c2C)nn1 1526057906 OHLDIFXCTRMJMP-UHFFFAOYSA-N 427.202 2.215 30 10 IEEE Cc1oc(C#N)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1527985734 SWBIYDSJKFNJSU-KBPBESRZSA-N 429.395 2.453 30 10 IEEE N#Cc1ccc(C2(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCOCC2)cc1 1531825724 IYKMKIAEXNRSJY-UHFFFAOYSA-N 436.424 2.014 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-c2nc[nH]n2)cc1 1539272821 CMUUZWKCCMNFAW-UHFFFAOYSA-N 425.500 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCCn1cc(CO)nn1 1539320417 UKYALQVDKIBBME-UHFFFAOYSA-N 440.511 2.130 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539357755 PKODDOQLYQJAJL-NRFANRHFSA-N 433.560 2.219 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2cc(C)no2)n1 1539423723 DLMIIXHQRUAWCU-UHFFFAOYSA-N 434.504 2.111 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSCC(C)C)CC1 1539430349 JDPDGELQFVXYPJ-JOCHJYFZSA-N 435.638 2.463 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1539453259 HCXXAIKWTRSMHG-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1539532684 CSRHRRIJURCGCB-AOIWGVFYSA-N 430.578 2.096 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCn2cc(CO)nn2)CC1 1539840573 YDBYVEKVQNZQQN-UHFFFAOYSA-N 439.520 2.293 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1540865161 WYHDNFJEUCVVQQ-VQIMIIECSA-N 443.573 2.420 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1CN(C(=O)OC(C)(C)C)C1 1555726935 AEUALYBWTSVBQZ-NJAFHUGGSA-N 448.568 2.465 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(CC#N)cc2)cc1 1557191193 MYQBXAAMXQIAQZ-UNMCSNQZSA-N 441.553 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)CC1 1557562388 XYUJVBCOLOJWDW-IUKKYPGJSA-N 445.564 2.133 30 10 IEEE O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1559033183 YWRXEGBBVYUWED-AWEZNQCLSA-N 425.416 2.083 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CSC3CCCC3)c2)CC1 1562392910 UEHXAZXNMXEGJB-UHFFFAOYSA-N 436.603 2.480 30 10 IEEE CCOC(=O)c1cnn2ccc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc12 1563341172 GVAXMQLHIUISMC-CJNGLKHVSA-N 442.476 2.392 30 10 IEEE N#CCC(=O)N1CCN(C(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 1566317790 IZQXPMKKGAFCAS-HXUWFJFHSA-N 435.484 2.163 30 10 IEEE C#CC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1585881795 JKLQKOMTIPDFGB-OALUTQOASA-N 445.585 2.332 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1587677673 KJBVPZHAPAPYIA-INIZCTEOSA-N 443.573 2.319 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1scnc1C 1587932171 MHJGBAANLSQSOW-UHFFFAOYSA-N 444.586 2.272 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1587978915 CTTAJKOLWINWKF-UHFFFAOYSA-N 431.456 2.124 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1587979146 JBJAZAPUYCCTBL-UHFFFAOYSA-N 448.575 2.081 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C(=O)OC(C)(C)C)C1CC1 1588024438 CTZFVHDSSUVPHC-WMZOPIPTSA-N 433.553 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@@H]1C 1588194367 UXKCSXSTSQQMPK-PKOBYXMFSA-N 425.558 2.314 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1C1CCCCC1 1588574648 OYBVLSYNPSKNLD-FQEVSTJZSA-N 430.597 2.299 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1595250523 FRVKNSICPACNIH-KRWDZBQOSA-N 447.561 2.025 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1595529809 IQOVUGLHQVZQEG-UHFFFAOYSA-N 431.447 2.219 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1595722978 PMJHYGUQGUVNTM-RBUKOAKNSA-N 433.553 2.432 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCCS2(=O)=O)c1 1596611135 HGYTTYFQLTYXQC-JIQGDJCJSA-N 441.575 2.185 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C1CC1 1611285865 ARNPBPVMGCATQP-GFCCVEGCSA-N 434.342 2.311 30 10 IEEE Cc1ccc(C(=O)NCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)cc1 1611977778 FDVPHQYFKMXBHD-INIZCTEOSA-N 449.515 2.483 30 10 IEEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1612269941 OXDHRWRWYWMBCY-OAQYLSRUSA-N 431.562 2.445 30 10 IEEE CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1613631390 AUFLMQXZQDBZHN-FQEVSTJZSA-N 432.532 2.354 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 1624284150 NSHPITCUTNZBPY-JKSUJKDBSA-N 427.526 2.247 30 10 IEEE C=C(C)[C@@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)OCC 1632913003 WOEBYGFAISJPPD-TVFCKZIOSA-N 437.537 2.399 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CC(N)=O)Cc3ccccc3)C2)C1 1633326016 URAKJCXLDXWVNB-OTQYULQBSA-N 426.517 2.287 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1635422433 RKVKOKOJLMGSPJ-UHFFFAOYSA-N 447.280 2.094 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)CC1 1638259146 CFLZJGOUUOESII-AWEZNQCLSA-N 426.443 2.282 30 10 IEEE Cc1cc(C)n(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n1 1639782908 QKIJWKUMFMEILK-NXEZZACHSA-N 433.299 2.490 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 1640924660 QIRXECVPYJCTEU-QGZVFWFLSA-N 447.557 2.087 30 10 IEEE C#CC1(F)CN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)C1 1651092243 JMSMKSIXYBTFJP-ZBFHGGJFSA-N 428.323 2.226 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1 1655792048 QDKSNKNEMCYNHR-AWEZNQCLSA-N 434.315 2.292 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OCC 1670887278 UVGHZPCIDZUELY-SNVBAGLBSA-N 449.856 2.333 30 10 IEEE CC(=O)Nc1cccc2c1CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1671494686 CXTWQNKOSHIPMG-VQIMIIECSA-N 427.505 2.472 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)C1 1684083097 OVPJLPFBQREHJV-RTBURBONSA-N 446.979 2.367 30 10 IEEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1686089935 BIEMWGMONYXKOB-SFHVURJKSA-N 448.593 2.132 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1689966336 PHYLSNSIOPJBAH-GJZGRUSLSA-N 441.479 2.080 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](OC)C(C)C)CC1 1690123941 ABNFQZJHHAZVOL-LEWJYISDSA-N 425.533 2.217 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1690154251 LSNJEJMHUDXECN-UHFFFAOYSA-N 442.545 2.468 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690670990 MXJQYYPDRRHYGQ-LSDHHAIUSA-N 431.459 2.022 30 10 IEEE COC(OC)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)c1 1697188490 HNBJIPHRIZCAPH-OAQYLSRUSA-N 425.468 2.460 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1698489955 FFGPXRIZEFVIQX-IBGZPJMESA-N 440.523 2.410 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1705478523 CUSUNPFVVLKDTM-OPAMFIHVSA-N 426.521 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1705490068 BLWHCAKDXCZKQE-DLBZAZTESA-N 436.516 2.109 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1705495102 KNJIROICHLFIGL-GHTZIAJQSA-N 441.601 2.282 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(N(C)C)CCOCC1 1705558243 PBVVHTABYGNUDV-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N1CCOCC1 1705576903 SWRQVDYYZGTHBC-UHFFFAOYSA-N 437.569 2.207 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705740777 WNUFVCKFTPSAEM-DENIHFKCSA-N 445.568 2.344 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 1705772703 SFWVERSCCBKHHR-UHFFFAOYSA-N 429.496 2.402 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O)C1CC1 1705852233 XLNDWQCRAPWRHP-UHFFFAOYSA-N 428.356 2.246 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nnc(C(C)(C)C)s1 1705879717 JDBYASINWAMVDY-UHFFFAOYSA-N 433.582 2.350 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1705902781 JQCJFWWNIZZUCM-GOSISDBHSA-N 441.507 2.323 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](COC)O[C@H](C)C2)cc1 1705911197 BDMFFBOPMOYYQD-UXPWSPDFSA-N 441.532 2.082 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705936280 NJKFXTIXJUPYIV-AQNXPRMDSA-N 441.557 2.126 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CC)C1 1705936833 ZHMSXXFGZGHODQ-VQIMIIECSA-N 448.545 2.007 30 10 IEEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCn1cc(CO)nn1 1706119498 DAXCIRZCACAKTN-QUCCMNQESA-N 434.548 2.493 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1709428930 BTQBJWRGDHRLOP-IBGZPJMESA-N 447.547 2.241 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1712686545 WBFIKNDIXATKMW-UZLBHIALSA-N 433.509 2.066 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC(F)(F)F)nc2)CCO1 1712885885 BHXJMLSCJKUSCJ-LSDHHAIUSA-N 438.410 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1722291105 CFCGRAGZLHIALG-IRXDYDNUSA-N 432.569 2.377 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCCO 1722292295 IOYMRHKYQCOTTD-KRWDZBQOSA-N 438.532 2.093 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1722363823 VXMIKRIREBYIDY-MRXNPFEDSA-N 426.498 2.222 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1722371825 LWMXMEKVCXWULF-HXUWFJFHSA-N 428.558 2.052 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCNC(=O)c1ccc(C)c(F)c1 1722424843 BVEBSQPOYCIHDG-UHFFFAOYSA-N 436.491 2.304 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCOC[C@@H]2OC)n1 1722426782 BOIYAHKZDSNMIC-QUCCMNQESA-N 444.580 2.110 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722430327 AUHDGOPVOGVNTP-FPOVZHCZSA-N 441.601 2.010 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1coc(-c2cccs2)n1 1722449983 XBSAAXYDLDJPRC-OAHLLOKOSA-N 426.502 2.080 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N2CCCNC2=O)CC1 1722501810 QBKFVAISSDQXRY-XLIONFOSSA-N 432.569 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCNC(=O)C(C)C 1722507474 FTLLYVWZIZOFOQ-CTNGQTDRSA-N 426.565 2.454 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1722706332 RFEYNRTZKRPZNQ-FQEVSTJZSA-N 436.516 2.228 30 10 IEEE C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1723853353 UVEJDRWIIYHVDG-QGZVFWFLSA-N 436.589 2.474 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1727377349 HOOVBKXBTPKRCL-HXUWFJFHSA-N 435.525 2.011 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1731135745 LPGMSQRRCWHUPR-AEFFLSMTSA-N 442.545 2.417 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740581948 HWHGGFSUPGXUSC-APWZRJJASA-N 425.489 2.310 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C)C1=O 1740688330 PAPQMZIFHHRUOF-QHCPKHFHSA-N 425.533 2.038 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1740695273 LHSSZCZYEURUOY-LJQANCHMSA-N 435.507 2.487 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1740788268 QSPPGLRVAWKZIH-ZDUSSCGKSA-N 437.488 2.180 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1740823788 OEYDIOWDRCREQA-INIZCTEOSA-N 427.505 2.460 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1noc(CC)n1 1740893518 MPTHDWIMXDHPCS-UHFFFAOYSA-N 445.549 2.006 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C[C@@H]1CCCO1 1740960766 ZYCUUJUPHOOUDK-LPHOPBHVSA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740992495 HLECRFGRCWOCHC-RBUKOAKNSA-N 431.562 2.013 30 10 IEEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)o1 1742194006 AJRKFPAOJLHZKN-HTAPYJJXSA-N 443.527 2.231 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748678723 XOZWGYPBDZFZPR-WMZHIEFXSA-N 430.556 2.337 30 10 IEEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748783219 IKIIABUFCIPBTI-RYRKJORJSA-N 426.521 2.367 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748807859 CWIVJXICUUUAHJ-KURKYZTESA-N 432.546 2.288 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749047323 VALYOXVQCIQMTB-YJBOKZPZSA-N 429.521 2.077 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749135538 FUGDXHCFIDCRQD-PDOICOKGSA-N 445.589 2.458 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1749594557 MFQRNMOQQJIGKS-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)cc1 1749686545 BYKIHUDKFQYWOO-TYPHKJRUSA-N 439.516 2.344 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCSC1 1749965068 AIUBWRBYYZKFLZ-GJZGRUSLSA-N 444.561 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1760199540 YSTPJJLBPVXBFO-HXUWFJFHSA-N 429.528 2.429 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCc1cccc(C(=O)N(C)C)c1 1760204553 UOXDQQQLPRYFCY-UHFFFAOYSA-N 426.524 2.281 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1760252579 PVITZBZHWKRFRH-TZIWHRDSSA-N 449.559 2.374 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2csc([C@H](C)OC)n2)CC1 1760258718 BOSWGHGAFJBSNV-IRXDYDNUSA-N 430.578 2.140 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760449698 RLMMMRWNKMIYDE-UXHICEINSA-N 441.532 2.408 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCS(C)(=O)=O)C1 1760543866 SXTFFFIWVSPSML-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCC2(CCOCC2)C1 1760556041 SZBSXHWKBUSGCI-SFHVURJKSA-N 438.594 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760556678 MQALVZBCIUWNSL-RHSMWYFYSA-N 439.607 2.096 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccc(F)cc1 1761221549 OYARNVVFBKHHCF-UHFFFAOYSA-N 449.490 2.333 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCc2ccccc21 1762239305 DPFCUQUFJNDWTM-XZOQPEGZSA-N 440.523 2.472 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CCOC)C1 1767558256 GETHLDJCNNLXBE-GOSISDBHSA-N 440.548 2.364 30 10 IEEE Cn1ccc(Nc2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1769031712 YSXTXGIGKXQGQS-VXPUYCOJSA-N 436.451 2.012 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)CC1 1770753276 FFORRAHENQTXDX-GOSISDBHSA-N 429.546 2.389 30 10 IEEE COC[C@H]1CCCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770893449 WXAREZIOPNCBGR-UNEBPCJRSA-N 430.553 2.256 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)C1 1771347227 CWONENZRMHPEJX-RBUKOAKNSA-N 429.546 2.399 30 10 IEEE C#CC[C@@H](C)C(=O)N(CCN1CCOCC1)c1nc2ccc(S(C)(=O)=O)cc2s1 1848924597 QNDFEQKGAHDOOQ-OAHLLOKOSA-N 435.571 2.024 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)OCCn2ccccc2=O)[C@@H]1c1ccc(C#N)cc1 1849278867 GLAGSIBXVWPEMM-SFTDATJTSA-N 425.510 2.357 30 10 IEEE Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c12 1851879761 XQVHHOLYNOHXKL-UHFFFAOYSA-N 445.527 2.400 30 10 IEEE Cc1cc(Br)cn2cc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)nc12 1853168257 VKWFQMONKNEDHO-UHFFFAOYSA-N 426.278 2.029 30 10 IEEE Cc1ccc(C(N)=NOCCc2nc([C@@H]3CC(=O)N(CCc4ccccc4)C3)no2)n1C 1853405524 PEVRKBUPEHUCTH-GOSISDBHSA-N 436.516 2.155 30 10 IEEE NC(=NOCCC(=O)N1C[C@H]2CC[C@H]1C2)c1nnn(-c2ccccc2)c1-c1ccncc1 1853436975 DFJDXJXYYJCACU-LPHOPBHVSA-N 431.500 2.367 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)c3ccc(C(F)(F)F)nc3)CO2)cc1 1853893873 DCKOCYGJBQJWPF-CYBMUJFWSA-N 427.360 2.134 30 10 IEEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H](F)CC(F)(F)F)CC1 1855862639 PDNUQXHFJMNJKX-CQSZACIVSA-N 447.410 2.317 30 10 IEEE CS(=O)(=O)C1CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1856519988 QSQMDKCOTUTXPV-SFHVURJKSA-N 437.949 2.046 30 10 IEEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OC 1860729833 QLZMRYMIZNFGEI-VZUCSPMQSA-N 446.481 2.140 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862609637 RHNXASQUNSVDFH-MPBGBICISA-N 441.436 2.131 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1OC 1862633492 LNJXSTZPCOMNRC-IBGZPJMESA-N 427.409 2.003 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 1862736318 XXANNAMKRSZJDQ-GOSISDBHSA-N 427.388 2.448 30 10 IEEE O=C(NCCCCCCO)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933678 MDIMODSAFLFSRS-IBGZPJMESA-N 447.532 2.144 30 10 IEEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870692357 LYJIHVTVLRLEHI-UHFFFAOYSA-N 441.528 2.307 30 10 IEEE COc1cc(N2C[C@@H](CNC(=O)c3cc(C#N)ccc3F)OC2=O)cc(OC)c1OC 1891533467 LDRNGZLJEDHDQC-CQSZACIVSA-N 429.404 2.478 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)O 1914795543 VPNWZCFTCOOIPS-YUXAGFNASA-N 436.512 2.464 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2010227455 ONWIKDXKTLCKKP-GVDBMIGSSA-N 439.553 2.027 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2010228716 FUSDNBYCYJISFQ-INIZCTEOSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N=c2[nH][nH]cc2C#N)C1 2010520411 YHIYEDOCBAHGSQ-JOCHJYFZSA-N 425.489 2.486 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cc1 2174786655 LVPNKCOLHIIKMK-WOJBJXKFSA-N 429.498 2.062 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2224094345 RMRHXCDRPBQZIY-USXIJHARSA-N 431.342 2.109 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229096766 SNWBIXDVFYDMPQ-JKSUJKDBSA-N 425.323 2.385 30 10 IEEE CN(OCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243687363 WVYAPQNOAJQVJO-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247903493 HHVLJQVWYMVGSJ-ARFHVFGLSA-N 442.387 2.491 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248395487 MDIORMVTRQDCTG-OAHLLOKOSA-N 440.371 2.203 30 10 IEEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248405646 SFSXVYWXQHUEKU-RYUDHWBXSA-N 441.359 2.464 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CO1 2255524670 TWSAQGKGRDZIKG-AWEZNQCLSA-N 436.289 2.406 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255601680 HUPFMCFYCAYWKD-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255627324 QYEQXAZZTBMXEP-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255648807 OIGXOILICVXYOZ-INIZCTEOSA-N 444.772 2.377 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NCC3CN(Cc4ccccc4)C3)c(F)c2)OC1(C)C 2255651517 XNBQXXIEVCXHET-UHFFFAOYSA-N 425.313 2.382 30 10 IEEE CN(CCCN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255652064 ORHWNRCZGOIPPA-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE CCN(CCNC(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255830218 BROYOKUOPFLOAB-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255844544 YHFFIAMDDDCWHW-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE Cc1cc(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2256678433 NISNEKJAAKTVHV-OAHLLOKOSA-N 434.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267106566 BGUIBGQNVWPUMI-INIZCTEOSA-N 446.353 2.040 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267179907 WQYYPPLZGWJIFQ-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267265060 AFSMFVDISSZNMX-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)n1 2267502347 MFEBBYDYAYIWAF-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267607615 AHEHRTXNRLTNKY-OAHLLOKOSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879088 DZUFCFOPGUBJIW-JOCHJYFZSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882324 QXYLRDZDUISQFQ-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE C[C@H]1COC[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N1C(=O)OC(C)(C)C 2268646925 LREKSUKDORTTBT-GOEBONIOSA-N 447.341 2.344 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268654511 AHHUXDWRPIUJQS-YOEHRIQHSA-N 447.341 2.344 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271395978 VEOOZPKITPGUAQ-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](CCO)COCc3ccccc3)nc2)OC1(C)C 2320428114 QHCSSKLEGAMKHI-LJQANCHMSA-N 426.322 2.078 30 10 IEEE Cc1cc(CNC2(CO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2320503045 JBDLKCZXCUIQFC-UHFFFAOYSA-N 432.370 2.366 30 10 IEEE CCOc1cc(C=Nn2c(CC)nnc2SCCO)ccc1OCC(=O)N(CC)CC 2321053199 AXWRPMRMCVAGBA-UHFFFAOYSA-N 449.577 2.453 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2327902015 VLQGABFROHNJBS-HNNXBMFYSA-N 431.518 2.057 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@H]21 2341939531 CTNXOQXFPXPJQG-HZPDHXFCSA-N 446.357 2.323 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 20074152 WQWSMHXGDUAORP-DEDYPNTBSA-N 431.474 2.466 30 10 IEEE Nn1c(N/N=C/c2ccccc2O)nnc1SCC(=O)Nc1nc2ccccc2s1 20527338 RPMLLIRANBDNGX-AWQFTUOYSA-N 440.514 2.484 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)cc1 20913874 DLFFSSDKGGBKJY-KEBDBYFISA-N 427.446 2.425 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(\C)NCCCC(=O)O)C(=O)[C@]12C 218524480 GRSFRYUXQZOMIM-KBIMCKIRSA-N 429.425 2.023 30 10 IEEE N#Cc1ccc2ncc(CNC[C@@H](O)COc3ccc(I)cc3)n2c1 237954551 YRIPVUZQLZUHQE-MRXNPFEDSA-N 448.264 2.340 30 10 IEEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)Nc1cccnc1 253560093 AJNHKMMKBUPKIG-CNHKJKLMSA-N 443.405 2.193 30 10 IEEE C#CCNC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc1 301226652 GUSGHTKTYGWUJI-UHFFFAOYSA-N 445.445 2.224 30 10 IEEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCN1CCO 427438049 BUWPPBONWAJQME-UZLBHIALSA-N 440.931 2.459 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 443021932 VIJPZMOLJRHBHG-UHFFFAOYSA-N 442.497 2.369 30 10 IEEE COc1cc(OC)cc(C(=O)NCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 461496921 ZWVRUKXJORCWAU-UHFFFAOYSA-N 436.512 2.108 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2C[C@@H]2CCCO2)cc1 462431558 WSUICNMBCDWQIQ-KRWDZBQOSA-N 437.546 2.240 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](CNS(=O)(=O)c3ccc(C#N)cc3OC)C2)c1 464224174 SCPLLJZLHYHPGT-INIZCTEOSA-N 431.514 2.389 30 10 IEEE Cn1cc(-c2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(C#N)cc3)on2)cn1 469539456 GXWRIXHTZDEXDG-QGZVFWFLSA-N 427.486 2.317 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNS(=O)(=O)CC3(C#N)CCC3)cc2)C1 477527846 MWGOUYILHGBNNL-INIZCTEOSA-N 425.576 2.220 30 10 IEEE C=CCN(CCOC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 482370158 HSHWACMTEVPCBN-MRXNPFEDSA-N 431.352 2.263 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Cl)cc1 508829173 YAEYZEIMYVHPBS-KRWDZBQOSA-N 439.969 2.129 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)cc1 537832857 WQHRXHBTCBQGLX-FQEVSTJZSA-N 445.585 2.406 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)n1 546177926 AGASHXLKORJFMB-HXUWFJFHSA-N 434.500 2.103 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)ccc21 546786580 NDUSRYZXCLMBIC-UHFFFAOYSA-N 431.496 2.145 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1C#N 572658409 PSLFMHHGMRZUCL-GOSISDBHSA-N 442.520 2.095 30 10 IEEE COc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c([N+](=O)[O-])cc1OC(F)F 585691772 XURYYTYBVJRZOB-UHFFFAOYSA-N 433.371 2.434 30 10 IEEE CC1(C#N)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 611668249 GAKGAMITMMBSCD-LRDDRELGSA-N 446.356 2.270 30 10 IEEE N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611670643 GBPDKFBJQHDWOC-RBBKRZOGSA-N 429.542 2.399 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(Cl)ccc1C#CCO 703981987 WXASCZLTBNTZHR-UHFFFAOYSA-N 432.885 2.112 30 10 IEEE COCCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730708363 DCLOWYVWQBXROP-QGZVFWFLSA-N 443.529 2.408 30 10 IEEE C[C@@H]1CCCN(Cc2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C1 732443900 FPMSVYOFHWVHEP-KTVWJZFRSA-N 425.533 2.244 30 10 IEEE C#CCOc1ccc(C(=O)OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 745215042 NPZFYHATHWCISD-UHFFFAOYSA-N 436.512 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccccc1 754947068 QMJXXFUKKWYXDV-MRXNPFEDSA-N 426.477 2.117 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@@H]1C(=O)O 757445191 ZLQCUJPYEJMSKV-FKBYEOEOSA-N 448.475 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 757587654 KULUSRWGKWQFSU-QEORTHHSSA-N 434.443 2.193 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)ccc1F 760740438 BRHUZDVJIPYWRH-QGZVFWFLSA-N 437.537 2.201 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 763567324 HIMZQFUANCYFOY-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE C#CCN(C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774162930 BPBFZQLUFIGGDB-MAUKXSAKSA-N 441.956 2.448 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1C 774264577 FFDHCLFLBAHAJO-SFHVURJKSA-N 434.606 2.464 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cscc2C)cn1 783007006 PASUKUQPPDIADV-KRWDZBQOSA-N 448.618 2.473 30 10 IEEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 783865686 GTFJXNWXTHMKBY-UHFFFAOYSA-N 446.504 2.463 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cc(OC)c(OC)cc1C 789968883 RUFPECOTJVZMMI-CQSZACIVSA-N 430.534 2.489 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(Br)n[nH]2)c1 791331250 RUEUWROPGFYVON-XSFVSMFZSA-N 426.296 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 793739075 ZKNWTEMGJLQGRJ-VQIMIIECSA-N 441.532 2.321 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1)c1ccc(Cl)cc1 810473789 HUDSBOAJLYTLIJ-HNNXBMFYSA-N 435.889 2.149 30 10 IEEE COc1ccc(F)c(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 814695152 OUQDKHOAJJMTPN-UHFFFAOYSA-N 438.437 2.209 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N 1084031271 KNKRPMPYWKFUNZ-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE COc1ccccc1CNC(=O)CSc1nnc(NN=Cc2ccc(C)cc2)n1N 1084376530 RVYTXZMWJMZWLY-UHFFFAOYSA-N 425.518 2.163 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(Cl)nccc4o3)CC2)cc1 1136149661 TXIRGBPCGOEDGS-UHFFFAOYSA-N 430.873 2.500 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 1154205891 QOFBTZLUWXCZQY-INIZCTEOSA-N 447.536 2.112 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)Cc2ccc(OC)cc2)ccc1F 1154285728 SVPROKQAEDSTBE-OAQYLSRUSA-N 436.505 2.022 30 10 IEEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1155857989 PGILMJRFMDYLDD-UHFFFAOYSA-N 428.501 2.295 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3ccc(C#N)cc3F)CC2)cc1 1160609058 BOZSXYDMAJQKFJ-UHFFFAOYSA-N 435.502 2.319 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1cc(=O)c(O)co1 1179891119 SJCLGUOUZBJIRV-LJQANCHMSA-N 425.441 2.368 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1 1213126527 IFAOICNIFWVQNL-LJQANCHMSA-N 449.960 2.440 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1 1233850545 CHCVFGANYQWDRA-CQDKDKBSSA-N 428.411 2.196 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)Oc2ccc(C#N)cc2I)cn1 1270730426 LHSNQGVQSAXDPT-UHFFFAOYSA-N 428.207 2.181 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)CCC2=O)cn1 1271847397 HNTBXBZAVOGUII-INIZCTEOSA-N 425.464 2.244 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286386157 VQPLCGCUHMBCQU-ZWKOTPCHSA-N 430.578 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286387556 SEDZGFZAWQZOBN-OAHLLOKOSA-N 444.586 2.162 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286391155 CTLBEEGJBCKZFL-SFTDATJTSA-N 442.585 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1286428741 VFOALNHFPVLSBP-QHCPKHFHSA-N 449.555 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286429719 JCSSPFZNAQEIGE-GOSISDBHSA-N 440.548 2.092 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1286444303 VGFDWSBNWCWTAN-SNVBAGLBSA-N 429.834 2.143 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 1286457256 KOYWZZRUWZMDFB-UHFFFAOYSA-N 427.549 2.177 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nccc(C(F)F)n2)CC1 1286481259 AQPMQMLISHHHFW-UHFFFAOYSA-N 444.515 2.165 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1286566132 MDFZBJBJPZRPNE-CECAUBDESA-N 438.532 2.410 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286951044 RMUZXMCZRPWDGF-UHFFFAOYSA-N 437.548 2.226 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1288099424 AVKOEWGWVBLDEB-OAQYLSRUSA-N 442.499 2.000 30 10 IEEE N#Cc1cn(CC(=O)Nc2nc(Cc3ccccc3Br)cs2)c(=O)nc1O 1295484550 GBTWNPXDCVBNMO-UHFFFAOYSA-N 446.286 2.269 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1297777599 NHRJOJONNBFKMY-INIZCTEOSA-N 438.504 2.238 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCN(C(C)=O)CC1 1300303002 FXULLJWVIGUDCH-SFHVURJKSA-N 447.543 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1)N1CCOCC1 1300527234 UVMYGQHPAQGKME-HSZRJFAPSA-N 428.540 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccnc2OC)CC1 1300718688 ULMSOJXRBTVRBR-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCS(=O)(=O)CC 1300886486 XYXKWMZTLBOAOE-KSZLIROESA-N 426.583 2.372 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O 1301141591 PCVTWNZUNJOYGZ-UHFFFAOYSA-N 435.550 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ncccc2F)CC1 1301489839 DQZTYSCALGJGJN-UHFFFAOYSA-N 439.495 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCOC2)C1 1301578045 QQWUVJNDNMUXBG-OAQYLSRUSA-N 427.530 2.034 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1(=O)=O 1302068071 HUYWNWNQFREFTL-MRXNPFEDSA-N 444.561 2.078 30 10 IEEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1302382599 AIUVHTHYDCNKQD-FXAWDEMLSA-N 436.582 2.097 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)o1 1302991349 GBNPNUVAZKNZEY-STQMWFEESA-N 443.451 2.472 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(F)(F)Br 1306193225 DYHGLSLCUBVGRE-UHFFFAOYSA-N 426.269 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1307726349 CBXOMCUNKWEOCQ-UHFFFAOYSA-N 447.967 2.413 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 1309430283 RDYCHQICGUEXDW-UHFFFAOYSA-N 425.470 2.353 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1313475765 BQEJSJLOONOZSM-UHFFFAOYSA-N 437.548 2.086 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1 1354284661 FRVISVFIPUXESO-FCDQGJHFSA-N 442.497 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1358888010 GIXVJYIRXJUDGG-FXAWDEMLSA-N 425.533 2.493 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358964958 KUXWPFHEFSHHFU-IPMKNSEASA-N 448.614 2.372 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358965893 DCILESJVZGRWEL-RDTXWAMCSA-N 431.562 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCCC 1358971862 LHXQITUHKIXBII-UHFFFAOYSA-N 444.333 2.315 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@]2(CCOC2)O1 1358995942 LXXWMXZSRWKOPW-DENIHFKCSA-N 425.558 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCN2CC)CC1 1359046630 ZSVJRKUUVATLBM-JOCHJYFZSA-N 449.603 2.104 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1359055858 QZAMBMUQOVDWHD-QUCCMNQESA-N 444.649 2.339 30 10 IEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1359148901 HWRRWKKVJSWNKA-UHFFFAOYSA-N 427.896 2.309 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCCC)C1 1359322226 RRMHFUJCLBZCOH-QFBILLFUSA-N 427.505 2.098 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1359631199 TWFLBHONDJGMRX-UHFFFAOYSA-N 445.518 2.366 30 10 IEEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1466840668 FGKQFMOINYIDAX-OTLZBWLZSA-N 437.566 2.029 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 1471937231 GSJRJZCBVLWRCD-QZTJIDSGSA-N 447.601 2.189 30 10 IEEE CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)O1 1497491064 IQBGEDXLXLMGIH-RXVVDRJESA-N 429.546 2.399 30 10 IEEE COCCCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1504835865 NKSYQDZEZXYOHJ-FPOVZHCZSA-N 441.532 2.364 30 10 IEEE C#CCN(c1nnc(CC)n1CC1(c2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632953 BTWKCFVHVTXTSB-FQEVSTJZSA-N 442.585 2.216 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 1507667825 SGSRNZUZRSHLPC-KNQAVFIVSA-N 430.556 2.139 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507968951 YAQAWZYNAZHHIX-GOSISDBHSA-N 441.532 2.043 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1507972766 ZDINYMLKCUWTHD-SFHVURJKSA-N 426.521 2.204 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1508023726 FRJYTRZJDOEUQG-SFHVURJKSA-N 443.573 2.042 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1508032334 DMCWMOGMOAHNPT-ROUUACIJSA-N 434.562 2.435 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)C1 1508122064 HPNWYQQUNINDBI-ZACQAIPSSA-N 430.578 2.375 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1508162764 QEJVYZPINGJTMC-UHFFFAOYSA-N 428.606 2.484 30 10 IEEE Cc1c(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)cnn1CCC#N 1525420910 FQAWBHFXBHLYSP-UHFFFAOYSA-N 428.468 2.157 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCOCC1 1538972700 JSGCBPMAQWPUJJ-CQSZACIVSA-N 436.354 2.436 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1538981830 BWCMVRRGXGXTQG-OAHLLOKOSA-N 427.320 2.125 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCn1cc(CO)nn1 1539148321 PBFTVNVSCAPARE-HNNXBMFYSA-N 429.912 2.315 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539210660 FNQXYLSPMQFULP-GOSISDBHSA-N 445.564 2.195 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1539219977 GIBPDBACQLYZBD-SJORKVTESA-N 449.602 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)(C)C 1539257907 OZNZMDKETKFZMU-LJQANCHMSA-N 432.528 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCN(CC)CC1 1539307692 XHYOZGMICFOKFY-LJQANCHMSA-N 439.995 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539483105 RZBOESLUICKJFW-SFHVURJKSA-N 444.580 2.206 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccsc1 1539573830 DXHODDVCOIQVCT-LLVKDONJSA-N 434.385 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)Cc2ccc(C#N)nc2)C(F)(F)F)CC1 1539593618 ASERKVLYFMNHJH-INIZCTEOSA-N 441.454 2.096 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1539621769 SKAPQRIYRSSNFB-HKUYNNGSSA-N 434.562 2.416 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539743388 FGGMNRXIDIVPBT-UHFFFAOYSA-N 448.593 2.183 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1540863430 WJGBPUKKDYRINM-LJQANCHMSA-N 431.629 2.089 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1540870692 UKVFIVDDQSZEQX-AWEZNQCLSA-N 443.533 2.169 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1540870929 ABSYKCOEMUBVGZ-MRXNPFEDSA-N 426.477 2.161 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nnc(C)s2)C1 1540881169 AHVMUGRXBZMYLM-INIZCTEOSA-N 431.566 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2CCN(CCN(C)C)CC2)C1 1540888349 OGZZHLFQMPBMMQ-OAQYLSRUSA-N 441.624 2.339 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2F)CC1 1540920051 MGJUKPVXAHIMND-UHFFFAOYSA-N 445.568 2.180 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1541278166 ZHACXXIFCDOECM-AABGKKOBSA-N 449.559 2.135 30 10 IEEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCOCCCO 1541465522 ADKXCWQMCPNFIB-UHFFFAOYSA-N 426.565 2.464 30 10 IEEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1547077613 NMAFKFRTNPIQNJ-PMACEKPBSA-N 438.532 2.495 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1552733764 HWTOMDNYOOFWLY-HXUWFJFHSA-N 438.532 2.212 30 10 IEEE COCc1nocc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1555330371 ZVAQESSLOMJWSN-QGZVFWFLSA-N 428.880 2.434 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1555637402 RKVCLDLZVGRSLN-KKSFZXQISA-N 440.483 2.073 30 10 IEEE C[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C(=O)OC(C)(C)C 1557112973 RFLALIGWIQSIRZ-BEFAXECRSA-N 449.573 2.474 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1CSc2ccccc2O1 1557167895 CBENLBUDRQUQQS-HOCLYGCPSA-N 431.539 2.285 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(Cl)cc1F 1565003098 QIWQPNOEIVRKJC-ROUUACIJSA-N 444.960 2.407 30 10 IEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1565247916 XAJRTSLOJSAZLY-PMACEKPBSA-N 428.533 2.429 30 10 IEEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OCC 1569184354 NKKQTFPZMOAYLV-KRWDZBQOSA-N 444.500 2.380 30 10 IEEE C#CCN(CC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F)C(=O)OC(C)(C)C 1570489244 FVMNBVAFMZQMTH-HNNXBMFYSA-N 439.434 2.493 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1)c1cc[nH]n1 1583424020 ORMCJQQUHCQBNZ-OKILXGFUSA-N 447.467 2.085 30 10 IEEE C#CC[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1584653367 JVIIKFKADFGQHW-INIZCTEOSA-N 436.530 2.119 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCCc3nc(C#N)ccc32)C1=O 1585177517 HLWKCGSBAJEUBE-HSZRJFAPSA-N 433.468 2.017 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)[C@H]2CCN(CC(F)(F)F)C2)s1 1585971558 TUWYWYMFYMIEDE-ZDUSSCGKSA-N 439.525 2.240 30 10 IEEE CC(C)(C(=O)N1CCN(CCC#N)CC1)S(=O)(=O)c1ccc(Br)cc1 1587541330 BXZFSFJSWXVTRY-UHFFFAOYSA-N 428.352 2.059 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1587702083 NNSQWPTUTLRUHQ-QGZVFWFLSA-N 429.525 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([S@@](C)=O)CCC2)CC1 1588780079 GUCYBIMDIBULOT-GDLZYMKVSA-N 432.981 2.050 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCNC(=O)CC1 1589556319 BQAYRIXBYPBAMX-GCJKJVERSA-N 425.533 2.207 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1594456096 XUZVWQATDYLDML-YESZJQIVSA-N 425.599 2.353 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](OC)C2)cc1 1595613315 CDGNBMYKTUIEIH-ICSRJNTNSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)C1 1595688540 KUJRCMMOLBJLFJ-OAHLLOKOSA-N 436.419 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595797403 FVKDWDBLZAXXET-OAQYLSRUSA-N 448.593 2.022 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(CC(F)F)C2)cc1 1596419943 HIOFSDZOKFWCAC-KMEDIVRHSA-N 428.505 2.415 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597077522 KCBORSWVMXUVSI-CRGRJFMMSA-N 428.537 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1598441207 RHEWNOOOROOLAG-JPYJTQIMSA-N 445.491 2.434 30 10 IEEE CC(C)N1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1608101299 DJFJJYMTHNDNLJ-XDOYNYLZSA-N 441.580 2.383 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC2CCCCC2)CCOC1 1616205201 GFUOEKDUQSSRCF-VXKWHMMOSA-N 448.543 2.211 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1620311663 GZQHSCJFGAOWNT-ZHRRBRCNSA-N 445.568 2.444 30 10 IEEE CC(C)(C)OC(=O)N1CCOC2(CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)C1 1622620939 DUPDEOGFVKAQPZ-UHFFFAOYSA-N 439.509 2.488 30 10 IEEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCN(c2ncccc2C#N)CC1 1623669981 ZHZGFPQHUWZAHS-UGKGYDQZSA-N 449.555 2.144 30 10 IEEE N#Cc1cn(CC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c(=O)nc1O 1625865608 ALQJAEZCGJCALR-SFHVURJKSA-N 439.269 2.489 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 1628896606 FDMBQPPMTMVOTO-FQEVSTJZSA-N 448.608 2.134 30 10 IEEE C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1632364208 QKOLJCKCAAMYGF-IBGZPJMESA-N 436.390 2.343 30 10 IEEE C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1633092514 TYGPABJBWXOOMK-ZRSCRABMSA-N 434.581 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCC3(C#N)CCOCC3)nn2)CC1 1637332094 QTMSSULUBCQGAU-INIZCTEOSA-N 432.525 2.290 30 10 IEEE C#CCN1CCN(C(=O)CN(C[C@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)CC1 1643418117 GAWVNRHFWZNIHA-NVQXNPDNSA-N 449.595 2.439 30 10 IEEE COc1cc(C#N)ccc1CN1CCN(c2ncc(I)cn2)CC1 1647954888 NIXZUWJURXBGOV-UHFFFAOYSA-N 435.269 2.284 30 10 IEEE C=CCCn1cc(C(=O)N2CCN([C@](C)(CO)c3ccc(Br)cc3)CC2)nn1 1653254567 OHKFLRBOQDDKMB-HXUWFJFHSA-N 448.365 2.282 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1657991059 LSQHWMLKNZKFJH-QFIPXVFZSA-N 434.540 2.474 30 10 IEEE Cc1cc(CN2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)no1 1666235615 GKTQLLKTLPHXAU-UHFFFAOYSA-N 443.298 2.263 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2Cc3cccnc3N3CCC[C@H]3C2)[C@H](C#N)C1 1671494693 DBXXFXALWMDFMC-FGTMMUONSA-N 426.521 2.335 30 10 IEEE CC1(N2CCOCC2)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1683532809 HUDCRZCTPNGXRJ-UHFFFAOYSA-N 425.577 2.419 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[C@@H]3Cc3ccccc3)CC2)cc1 1685764698 VMTUYTPBOCUFPL-LEWJYISDSA-N 438.553 2.453 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C1CC1 1690063432 CSRODLSXVLWGEH-IBGZPJMESA-N 431.562 2.080 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1690247372 AAKVRYGWLDMHFR-GHTZIAJQSA-N 446.573 2.094 30 10 IEEE C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1692712553 CQKDSAVCAJDULW-IAGOWNOFSA-N 425.585 2.194 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CC2)c1 1693036026 HRNLOUQHPLUMGS-ZOKDDAQRSA-N 429.546 2.114 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cs1 1693352402 KZSBUPXHFQGNRG-NQIIRXRSSA-N 447.584 2.433 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1693865456 LDJUPOAMTKKAHC-APWZRJJASA-N 429.546 2.476 30 10 IEEE CCc1nc(CCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 1694579607 AYGDLGRKKUXQHL-UHFFFAOYSA-N 425.566 2.088 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1695064929 IDTQXACOHXNZRE-UYAOXDASSA-N 440.548 2.447 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](CC(C)C)N(C)C 1696332055 MOUUHZUEPMSZAJ-HXUWFJFHSA-N 440.596 2.384 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCOCC(F)F)c1 1698485542 HFWODMXWKCNYAK-SFHVURJKSA-N 432.475 2.009 30 10 IEEE C#CCCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705522233 YYQDSYDTNMVCRO-AWRGLXIESA-N 445.608 2.281 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705532168 HODWBHQEKWQOHP-QGZVFWFLSA-N 444.557 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)OC)c1 1705585382 RACTWYZIZPLBNG-UHFFFAOYSA-N 431.500 2.439 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCOC[C@@H]1OC 1705593947 ZDBIXWIBOIIPBU-KNQAVFIVSA-N 438.528 2.477 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)C1CC1 1705628490 IKARLVKNABFCOE-RTWAWAEBSA-N 442.585 2.460 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)CC1 1705642824 IQMLVJVFCYWYFS-UHFFFAOYSA-N 442.539 2.056 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCC2)C1 1705667708 QAHIVGJEQPHSSX-UFYCRDLUSA-N 433.622 2.433 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706745644 FKXZSYNXPAEGHV-MRXNPFEDSA-N 436.520 2.333 30 10 IEEE C[C@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1706959145 PIOBYDMZBFZXHY-JXFKEZNVSA-N 435.431 2.081 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCn2cc([C@@H]3CCOC3)cn2)CCOC1 1710416898 NUNMZVMMFZEQTO-NJNPRVFISA-N 443.552 2.069 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C)OC 1712162012 QDHKSINYUJFARP-QFUCXCTJSA-N 440.548 2.063 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS1 1712536937 IOKVLTIQGMWWKJ-WMLDXEAASA-N 444.561 2.433 30 10 IEEE COCCOCCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712618001 QNIDYNDIIUGKTD-UHFFFAOYSA-N 447.543 2.197 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCNC(=O)C2CCC2)cc1 1712879647 IKARAMIUELMBME-GOSISDBHSA-N 449.559 2.215 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722322858 PSKPTFQBRNPMNM-NFBKMPQASA-N 442.564 2.224 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccc(F)cc2c1C 1722373203 KKGMIAYENRJWEB-OAHLLOKOSA-N 443.504 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(C(=O)NC)c2)CC1 1722445233 UQSLGVWVBSOKMN-KRWDZBQOSA-N 436.560 2.165 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722523456 UPVZASYVUFVENF-MRXNPFEDSA-N 449.552 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722693337 KQCSMVZKCBSMGY-HKARXFIJSA-N 441.532 2.029 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCCc1ccccn1 1722695040 QDDSAMAJWCJYMY-UHFFFAOYSA-N 434.500 2.440 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(-c3ccccc3)c2)C1 1722708945 GXEAYHTXCRHVIW-FQEVSTJZSA-N 435.532 2.432 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncccc2N(C)C)C1 1722709376 OSFJBBYOSJKJJL-QGZVFWFLSA-N 448.531 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)C1 1722713671 ITSOAGRYSSEOLF-HZPDHXFCSA-N 432.912 2.138 30 10 IEEE COc1cccc(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)[C@H](C)CC#N)CC2)c1 1730214489 FEXUJRMMEGLCDO-HZPDHXFCSA-N 446.577 2.367 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1730763654 JIZIHFUMLQBREP-HSZRJFAPSA-N 435.532 2.195 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1731188950 COHWOUISRBOGOS-HXUWFJFHSA-N 449.964 2.278 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1740537535 FGJWCUREOGIUAZ-GAJHUEQPSA-N 443.523 2.346 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740622298 WZGFCASVHTZWQL-DLBZAZTESA-N 446.598 2.334 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1740627499 HXLDOPWFDXIPKR-IBGZPJMESA-N 446.573 2.001 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC 1740640706 UOOQOFDFIYGTOK-IBGZPJMESA-N 426.542 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1cn(C2COC2)nn1 1740649460 VAAMKLNTMPZKAX-JOCHJYFZSA-N 429.528 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)OC 1740658351 LGWZGFHZGBSTRT-QFIPXVFZSA-N 434.588 2.141 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC2CCOCC2)CC1 1740705246 CUZWNEIYZSRTLH-NRFANRHFSA-N 443.592 2.345 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740718801 VTADXUQCAYIRLL-MRXNPFEDSA-N 447.634 2.279 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740888236 RKDXWTZKAOATLZ-XMSQKQJNSA-N 427.505 2.085 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(C)=O)nc2)C1 1740980229 GFPMGPNKVSKJQO-HXUWFJFHSA-N 433.516 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740991113 OTRSDKLYURQLOD-UHFFFAOYSA-N 431.562 2.272 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1741133425 QMIHEORJAJRNFU-ZBFHGGJFSA-N 445.545 2.332 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1748750920 RKNCQCBMIUGOQT-HXUWFJFHSA-N 442.608 2.156 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1748811138 CEJHVSSAACMWOT-SFHVURJKSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)CN1CCOCC1 1748851720 LANSPLQYYMOATK-NRFANRHFSA-N 430.556 2.322 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748912477 DWALKXVDNSSSNX-VWLOTQADSA-N 437.588 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H]2CC)CC1 1749001170 KPDUEDFAYNZBAR-UYAOXDASSA-N 440.592 2.306 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCC(=O)N2CCCCCC2)cc1 1750382371 FLKVTMVGEXBILP-UHFFFAOYSA-N 440.573 2.178 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1751255257 VZYNAJRDMJGMRH-WVFSVQOHSA-N 430.459 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cnn(C)c1 1760095897 BTRFCOTUNREOJS-FUHWJXTLSA-N 426.569 2.057 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760191393 GQNMPFUUUQSQHU-HXUWFJFHSA-N 442.589 2.267 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1760208201 MQQQVWWFDLFDDC-IFMALSPDSA-N 449.555 2.182 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1760271799 MLZJXVQDFZAHMH-UHFFFAOYSA-N 449.603 2.486 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(N)=O)CC1 1760355212 BNMISNHDEGTGQD-UHFFFAOYSA-N 435.532 2.425 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(C)CN(C)C1=O 1760502573 DHGNELZDGNWCFY-HSZRJFAPSA-N 435.532 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2C[C@H]1CO2 1760557363 JAPUOMBXZLNLJW-OALUTQOASA-N 446.573 2.442 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760563511 UKNFSZDSJGHGJL-UHFFFAOYSA-N 444.605 2.083 30 10 IEEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)o1 1761777376 IXBOBGKBORMJFE-UHFFFAOYSA-N 429.502 2.311 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1C 1761828605 NGDDGHCTIRGEIO-VXKWHMMOSA-N 426.496 2.394 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)n1 1761913620 HENGRKXXBRJRGY-UHFFFAOYSA-N 431.500 2.015 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1763266341 DRAHTGWNJQRGAY-MZPVMMEZSA-N 439.289 2.018 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC 1763439222 DYXCYRQLHPEPTA-JXFKEZNVSA-N 440.548 2.349 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1765012489 AHZPJUOVYADVCD-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE CN1CC[C@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)C1 1769063940 BVOQKRSNUIKFSS-DPZOUVDISA-N 430.597 2.393 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@@H]1C 1769498836 ZJFSRJSZYOKXPC-INIZCTEOSA-N 444.561 2.209 30 10 IEEE N#Cc1cc(CNC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)c(F)cc1F 1850894277 WDQSSYGQFFLEDC-UHFFFAOYSA-N 441.482 2.462 30 10 IEEE CN(CC(=O)N1CCN(c2nccc(C#N)n2)CC1)c1nc2c(Cl)cccc2s1 1851647234 QOMOUNUGOFQKIB-UHFFFAOYSA-N 427.921 2.396 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)c2ccccc2N2CCS(=O)(=O)CC2)c1C#N 1851827759 UPKROSYMEMUJRG-UHFFFAOYSA-N 441.435 2.113 30 10 IEEE COc1ccc2nc(N3CCN([C@H]4CCCCN(C(=O)CC#N)C4=O)CC3)sc2c1 1855958886 GXQHWSJGTHRHCO-KRWDZBQOSA-N 427.530 2.248 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2cccnc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 1870005166 ZLLWQOXGUZRBIJ-CYBMUJFWSA-N 436.925 2.117 30 10 IEEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(N(C)CCO)ncnc21 1873591809 RLVIHSWMDULJBW-UHFFFAOYSA-N 439.516 2.036 30 10 IEEE C#CCOCC[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892261629 XMXUUHIWZCYXTH-JCOAXYOVSA-N 441.505 2.377 30 10 IEEE CC1(C)OB(CC2CN(C(=O)CNC(=O)c3ccc(Br)o3)C2)OC1(C)C 1924446857 SUJBAFGEAUXXPD-UHFFFAOYSA-N 427.104 2.323 30 10 IEEE C=CCN(CCC(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1987542827 OLTLNXJLNINWRC-HZPDHXFCSA-N 427.542 2.286 30 10 IEEE C#CC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(=O)O 2009955792 WYSIPVALKOEZMQ-SFHVURJKSA-N 429.517 2.139 30 10 IEEE COCC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2010547133 RRDBCNMOGRXEAH-LJQANCHMSA-N 428.533 2.106 30 10 IEEE CN(CCCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248400848 BOSQLCNEDJWLKE-UHFFFAOYSA-N 440.375 2.235 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2249036891 LFEANULDHXZYRT-JKSUJKDBSA-N 442.557 2.308 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2249667185 CBDLVHWTAXFISJ-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@](C)(CO)C1 2255364244 QPXKMJUCMOJFKU-QFIPXVFZSA-N 433.358 2.189 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255830578 ICUOECHFZAIMDY-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE COCC(C)(C)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255877593 ZWOLCFJIMBHJAL-UHFFFAOYSA-N 428.342 2.182 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256623116 AUCDGUYTDFYDAV-HUUCEWRRSA-N 438.330 2.279 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2267141711 MCMRJZRDRBZKOU-BPUTZDHNSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2267188924 SOYFWBGADRYNIN-GJZGRUSLSA-N 447.316 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267260406 NLGAZMHNASTRMG-JOCHJYFZSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2C1 2267264919 YATZCZGCPNBRDX-JQHSSLGASA-N 443.353 2.366 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267495236 YXQCPDAOKRXIET-IEBWSBKVSA-N 438.381 2.217 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517050 MTUDWYPEHAQFSW-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267880595 VAOCIFSVFPYCRN-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCCC23OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282847261 WNUSXRYZFMNARV-CQSZACIVSA-N 443.396 2.238 30 10 IEEE COC(=O)[C@H](CS(=O)(=O)Nc1cccc(C)c1C#N)NC(=O)OCc1ccccc1 2286022691 UVPFURXKTHNAMT-SFHVURJKSA-N 431.470 2.076 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2298375821 BLFQVGWQQMPXGA-WHOFXGATSA-N 435.355 2.180 30 10 IEEE CN(Cc1ccccc1)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1 2337202902 QCMDOLDOAFVSSV-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1NC(=O)OC(C)(C)C 2337202940 QTIOQDUJJAFWIH-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE O=C(NCc1ccccn1)c1ccc(Cl)c(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 9529937 BIEGLGZFTGEIPR-JKSUJKDBSA-N 436.946 2.155 30 10 IEEE CC(C)c1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 12293578 QVXIAZIZKQUEDW-COUQNMRISA-N 442.537 2.355 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)c1 20527473 DUOBIOZOUWEGIT-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1-c1ccc(Cl)cc1 59794951 PXWKPRNQSVNWGV-UHFFFAOYSA-N 443.920 2.220 30 10 IEEE CNC(=O)c1ccccc1C#CCNC(=O)c1cc(-c2cc(OC)ccc2OC)nn1C 96348753 NQTBXBSRYGFFKT-UHFFFAOYSA-N 432.480 2.245 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3ccncc3)cs2)cc1 110539226 HMJJVADWAIUKFI-UHFFFAOYSA-N 427.511 2.327 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN(C)C)cc1O 170111896 DPYFICKMODBUOO-IBGZPJMESA-N 441.440 2.449 30 10 IEEE C=C1C[C@]23C[C@@]1(OC(C)=O)CC[C@H]2[C@@]12CC[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 197469361 NRTFZZKJZVUHCR-JQZXOIDBSA-N 446.496 2.481 30 10 IEEE in-vitro N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 301384864 WNZJLWOTOGTFMR-UHFFFAOYSA-N 439.324 2.475 30 10 IEEE CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCS1(=O)=O 428710988 ULHWBPVAMQQADG-UHFFFAOYSA-N 426.560 2.193 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccn(C4CCCC4)n3)CC2)cc1 431654867 UPZJJPBGRQCOIM-UHFFFAOYSA-N 442.545 2.086 30 10 IEEE CCC(CC)[C@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)OC 437604188 NTGDGXOBDUYPOA-IBGZPJMESA-N 436.578 2.415 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)cn1 461852023 BXRRWAQCDNQNFS-UHFFFAOYSA-N 430.877 2.099 30 10 IEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 468306937 GTYIWTDODAVDGG-UHFFFAOYSA-N 445.888 2.606 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccccc3C)c2=O)nc1 474329705 OFRLCKMTDBXXOW-UHFFFAOYSA-N 444.560 2.473 30 10 IEEE COc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccc3)c2=O)c1 480149300 BHAUBXBIKKNDCF-UHFFFAOYSA-N 431.517 2.033 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1S(=O)(=O)NCC#N 482470324 LPNXRRLVCZGWCG-JOCHJYFZSA-N 425.510 2.459 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 499291230 WRFPWHOBVSKVDE-JOCHJYFZSA-N 440.507 2.038 30 10 IEEE CCOCCCNC(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 509919779 NKDRLUWTBUUZDD-UHFFFAOYSA-N 436.516 2.464 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 524916079 FOCFSRJCPSQZOQ-UHFFFAOYSA-N 442.523 2.405 30 10 IEEE N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 533177914 MDPWROYWGDFBGP-UHFFFAOYSA-N 437.518 2.101 30 10 IEEE COc1cc(OC)cc(OCCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546896290 DYEBMEHIJLLOPB-UHFFFAOYSA-N 425.489 2.271 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 548278793 JSWWBGGZRDPSDE-UHFFFAOYSA-N 434.861 2.267 30 10 IEEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 549699658 QKSJXNKZHFZARS-UHFFFAOYSA-N 436.520 2.067 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 603460363 DAFNFFZUYSWTDX-JZGPVCMCSA-N 440.544 2.492 30 10 IEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619836563 BNXYSUKOJPHVCX-GCJKJVERSA-N 433.560 2.382 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 731888894 KZBRNCDWJNEOIU-SJAXZRJFSA-N 436.512 2.103 30 10 IEEE CCc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 732494730 LALDGXHIJMYHNW-IFMALSPDSA-N 444.491 2.372 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1 732649369 GYAWMULIJUDIGG-QKLQHJQFSA-N 430.574 2.166 30 10 IEEE N#C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccc(Br)cc1 733254630 ZLUNQQVKZPAULW-SJORKVTESA-N 444.264 2.389 30 10 IEEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc(C#N)cc1 740204505 JNHUCYFJSVDWQY-PKHIPVCBSA-N 428.466 2.296 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1F 742871133 NOJHODLYUAVHEB-OAHLLOKOSA-N 441.525 2.419 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1)C(C)C 744428216 AFFKITFNUGYYID-ROUUACIJSA-N 438.569 2.496 30 10 IEEE C#CCCN1CCC(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 755399975 LYJPEQMRWKRYCP-HNNXBMFYSA-N 441.391 2.463 30 10 IEEE COC(=O)CCSc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 756793724 OICWLASGHPTSRW-UHFFFAOYSA-N 427.482 2.477 30 10 IEEE COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470402 HVSJCRUDLICUKA-OAQYLSRUSA-N 436.464 2.134 30 10 IEEE O=C(O)C#CCNC(=O)[C@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 757473492 FPBJKYAUCIUYQF-HJPURHCSSA-N 448.475 2.134 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)C1 757580582 VBDBDUGARANBPY-YESZJQIVSA-N 430.530 2.077 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc3c(c2)CCC3)C1 760321142 RDEMHBJVDGQMCK-MSOLQXFVSA-N 443.573 2.047 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCN(c3ncccc3C#N)CC2)C1 767833541 XXAPZQWKGAZPOJ-SFHVURJKSA-N 429.521 2.018 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CCN1C1CC1 769649934 AROWZSBXSYTUIY-NRFANRHFSA-N 446.573 2.037 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 774704584 QBAUNKIEYVTQHT-VQTJNVASSA-N 433.597 2.153 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(Cc2ccsc2)CC1 780179021 HQSNHAPFGLSSAA-NRFANRHFSA-N 435.546 2.197 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134737 RXAYDUWEHLIHDW-QGZVFWFLSA-N 447.564 2.412 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2cnn(CC(F)(F)F)c2)c1 786958592 IDOADONCKNNUDF-UHFFFAOYSA-N 437.197 2.198 30 10 IEEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1F 802349163 GIOPOZHLULZSKB-QGZVFWFLSA-N 438.463 2.126 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@H]1CCCO1 812275228 PGCKEMXAEFWYIH-PKOBYXMFSA-N 443.573 2.367 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(C)c(S(N)(=O)=O)c1 913242859 AFQYNMANVJENGU-HNNXBMFYSA-N 445.497 2.143 30 10 IEEE N#Cc1ccccc1N/C(S)=C(/C(O)=c1ccc2c(c1)CCC(=O)N=2)[n+]1cccc(O)c1 917612489 TZTJSUIFFZINPL-UHFFFAOYSA-O 443.508 2.178 30 10 IEEE C=CCC[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1134516066 ZMNWEMFZYKTCBD-SFHVURJKSA-N 437.537 2.249 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)C1=O 1149433339 XQHOCONYZGBEAN-DEOSSOPVSA-N 431.496 2.428 30 10 IEEE COc1ccc(Br)cc1C1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1162920892 VZLORTDLJOWCCQ-ISLYRVAYSA-N 434.290 2.480 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1S(=O)(=O)NCC#N 1167170085 LYBBCDCMJXTXPA-NVXWUHKLSA-N 435.546 2.237 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)n1ncc(C#N)c1N 1168599905 YHTZJEZFTZKXPG-GFCCVEGCSA-N 448.357 2.384 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 1197911819 REVJNRDURHMZME-OAHLLOKOSA-N 448.445 2.451 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1207586851 KRCFYCJVRNHCPZ-GUYCJALGSA-N 437.338 2.440 30 10 IEEE Cn1ccnc1[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCO1 1212131135 GIDYLNSYCFMHCI-UONOGXRCSA-N 425.308 2.253 30 10 IEEE C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1214077543 BZDONLJYMMMERJ-NSHDSACASA-N 432.315 2.387 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 1215585070 CPODOJKRWAVOAD-UHFFFAOYSA-N 438.502 2.076 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)CC1 1220773828 PATUUDDDSUHULC-LJQANCHMSA-N 440.569 2.002 30 10 IEEE COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cnn(CCC#N)c1C 1264132429 QQAVTYLEFWMPGF-SFHVURJKSA-N 426.473 2.425 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 1270234782 BHTHBWWPQGENGQ-HSZRJFAPSA-N 429.520 2.242 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1286391294 CIMPPVXWUMKDBT-LJQANCHMSA-N 428.558 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C(C)C)N1CCOCC1 1286401719 QNVYVXUYWVVUTH-OAQYLSRUSA-N 436.516 2.283 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Cl)c(OC)c1 1286464890 GUCIRJWDCKROHW-KRWDZBQOSA-N 431.924 2.220 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCOC[C@@H]2C)CC1 1286476556 YWHKGZASBJWNNH-SFHVURJKSA-N 428.968 2.074 30 10 IEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286496611 HDIMYNBCWQRWPZ-IBGZPJMESA-N 447.630 2.268 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286544495 IMQDYWDYOOGFAH-QGZVFWFLSA-N 437.367 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](OCCOC)C1 1286561214 ALNRMJMPZYJRKN-VWPQPMDRSA-N 427.549 2.487 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286780855 JQSOLCCZWHMDHB-INIZCTEOSA-N 427.509 2.329 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(N)=O)c2)C1 1286805682 VXPIATWKHWWMRM-IBGZPJMESA-N 434.500 2.034 30 10 IEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1286985934 FKEXDJDMBRTZOR-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1 1297868238 GMRJTPYAGDUTGP-SFHVURJKSA-N 428.514 2.447 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCOCC1 1300441725 XLQHQZNFOGXWOU-UHFFFAOYSA-N 431.562 2.082 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1OC 1300464458 FPZYBSRDVVVRBD-OKZBNKHCSA-N 433.553 2.471 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)CN1CCCC1 1300471616 IYDOIROBYRQDEC-HSZRJFAPSA-N 449.647 2.444 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCOC[C@H]1C 1300590370 AGBOLLKGUVBOOM-OAQYLSRUSA-N 435.572 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)N[C@H](C)CC)CC1 1300725756 JOQWXQYXEPUXOE-QGZVFWFLSA-N 430.597 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@](C)(O)c2ccco2)CC1 1300727435 XTZKAHUQFZASGI-HSZRJFAPSA-N 427.549 2.333 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1300805924 LJCWIHQPCSYWDG-SXSPYAJSSA-N 442.585 2.470 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300997047 ODNGZYXSNSZIRE-GOSISDBHSA-N 427.553 2.221 30 10 IEEE COC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301023789 LNSTXVBAAMLSSE-KRWDZBQOSA-N 440.529 2.127 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccccc1OC 1301510202 UQRPQSSXBWFJJB-GOSISDBHSA-N 438.532 2.053 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)C1 1301557374 RVPXZLROYDMBSC-SFHVURJKSA-N 433.578 2.259 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1303628497 CFZQPLCYFGQYFW-WIYYLYMNSA-N 448.575 2.498 30 10 IEEE Cc1c(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)cnn1C 1304122007 CRDQPPULXRINFR-OAQYLSRUSA-N 438.561 2.490 30 10 IEEE CCN1CCN(CCCCn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)CC1 1313953432 DXEXAKUDXYJASP-UHFFFAOYSA-N 436.608 2.422 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1ccnn1C 1353603554 KBICBBAIXINELR-YADHBBJMSA-N 446.467 2.406 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1358921768 IQHMBPQSFAJTAL-LJQANCHMSA-N 431.338 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C1CCCC1 1358976548 IFYQYTDETGKPAQ-UHFFFAOYSA-N 443.555 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358990619 UVRKLAQGXZCXNR-LJQANCHMSA-N 441.543 2.304 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCC[C@H]1C 1359002290 UVTPZMFIAXXDRN-NVXWUHKLSA-N 430.578 2.431 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1csc(-c2ccco2)n1 1359023810 XJNSDTLZRZDZQQ-OAHLLOKOSA-N 426.502 2.080 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOC)CCCCC2)CC1 1359027966 BRSPBWOTMUXKKC-UHFFFAOYSA-N 430.597 2.159 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1359063925 HHGNQIUWPRSBQF-HGHGUNKESA-N 431.562 2.268 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1359069735 WNHYNOYUJLLUEK-OTKPCVMRSA-N 425.558 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359099916 UUSCFAKUMHEGJH-SXLOBPIMSA-N 444.580 2.224 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2O)C1 1359126023 BYJGIXPXPBLJGJ-UHFFFAOYSA-N 435.488 2.181 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)CC1 1359165605 SFTHXQHJRNZHBF-GOSISDBHSA-N 435.550 2.026 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1359203654 SMCDDXYHARBHJZ-QGZVFWFLSA-N 448.568 2.397 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359215713 HYUZHSQQQDRIIH-NHCUHLMSSA-N 438.576 2.487 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359219330 NPPKDFNSSMPVAO-NRFANRHFSA-N 426.613 2.322 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)OC(C)(C)C 1359235670 JEQBCUFXYYBFEC-UHFFFAOYSA-N 439.524 2.458 30 10 IEEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1359252006 BNFDTYUZRRVWPG-KRWDZBQOSA-N 430.459 2.290 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359295814 OGTWVQNBYVNLCQ-LBPRGKRZSA-N 430.818 2.063 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1359303251 IOSUBRGTJQMFHL-UHFFFAOYSA-N 428.503 2.387 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N(C)C)C1 1359317232 DYWAPVRBHPTGJX-KRWDZBQOSA-N 429.521 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C)[C@@H]1C 1359334036 RDJBBHGJXSEKJX-IRXDYDNUSA-N 428.562 2.352 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2cc(Br)ccc2n1 1439613555 SCQPIYJIBBGYLF-SGTLLEGYSA-N 434.315 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C 1451454000 DJHZOBJUKCOBRY-QGZVFWFLSA-N 435.546 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(CC(=O)NC2(C#N)CCC2)C3)CC1 1460780022 VVZDUKXHPCWEST-OALUTQOASA-N 431.581 2.097 30 10 IEEE Cc1c(C#N)c(NC(=O)CN[C@](C)(Cn2cccn2)C(N)=O)n(C2CCCCC2)c1C 1460928407 IINVSOSAXCBCHV-JOCHJYFZSA-N 425.537 2.151 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@](C(=O)OC)(c3ccccc3)C2)c1 1468445018 BYTCLLBTMSBALP-QHCPKHFHSA-N 425.506 2.441 30 10 IEEE C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@@H]1CNC(=O)OC(C)(C)C 1472187706 LJAXMDAIAYPQRU-VQIMIIECSA-N 449.573 2.482 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1493555527 JOOXZZDVKXRBBQ-ZXYWRSMDSA-N 449.353 2.326 30 10 IEEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCN(C)S(=O)(=O)CC 1499247397 WRKSUYOUDFJNII-MOPGFXCFSA-N 430.578 2.256 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@@H](C)CC 1507527037 FYOSCLQIUMPBSX-JKSUJKDBSA-N 445.593 2.001 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCOCC1 1507704939 MRRMGXAOKLDINW-QGZVFWFLSA-N 432.956 2.048 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1507926031 NZQOKJINKOZNLR-MRXNPFEDSA-N 441.598 2.367 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1507933912 BSGZDQXQHPEMTQ-INIZCTEOSA-N 440.595 2.060 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C(C)(C)C)no2)C1 1508122027 BUNBPKBFLDHNQG-JKSUJKDBSA-N 449.577 2.295 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1509792141 TZKGUZHCNGTVBO-JRGCBEDISA-N 436.626 2.494 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)cc1C 1510932931 DISFOXVMWBOSKR-JOCHJYFZSA-N 439.495 2.115 30 10 IEEE Cc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1511023564 VREYLEYHUDYDQF-UTKZUKDTSA-N 447.536 2.400 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC[C@@H]2CCCO2)cc1 1521090161 RCDCXTCVYLAXEZ-PMACEKPBSA-N 438.532 2.104 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1538547149 BPRFLFGXAOMAQJ-UXHICEINSA-N 428.533 2.132 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCS(=O)(=O)CC1 1538987638 VKIBJZRITACPTP-CYBMUJFWSA-N 440.928 2.135 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539060555 XWWFKMYHKJMFFE-FQEVSTJZSA-N 435.576 2.277 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CC1 1539408849 FQWIHHFYZRYVLR-UHFFFAOYSA-N 438.557 2.174 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1ccc(C)c(F)c1 1539422708 IGDMGVDTJUURKB-LJQANCHMSA-N 429.496 2.093 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1539518448 ZTBGBMOTKSHNLL-SFHVURJKSA-N 429.571 2.055 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1539533982 WTJQWXLMQIZCEB-HSZRJFAPSA-N 438.507 2.075 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCN(C)C2=O)CC1 1539816703 CCXUVTBEWVJMTA-UHFFFAOYSA-N 448.980 2.471 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1540868494 HQAMPXVRAXJHRV-IRXDYDNUSA-N 427.553 2.097 30 10 IEEE CC(C)(C)c1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1541144663 BTUBKUGXBRCBEB-INIZCTEOSA-N 443.577 2.126 30 10 IEEE N#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(OC(F)(F)F)cc1 1545142266 GFVWAXJZJWXSPA-QGZVFWFLSA-N 442.415 2.275 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCOCC1 1545458398 GJIZQXYXFCYQAD-INIZCTEOSA-N 439.564 2.437 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1547259253 FHVNUXOYSOISDA-AZUAARDMSA-N 438.532 2.260 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1547771993 CGTPVIMAJHYPJN-UHFFFAOYSA-N 447.547 2.264 30 10 IEEE C[C@H]1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)OC(C)(C)C 1557180579 CZXXRTQWLMBXDL-ZMSDIMECSA-N 449.573 2.330 30 10 IEEE CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc21 1561844787 ARLSXRYWWKTSOB-UHFFFAOYSA-N 428.489 2.438 30 10 IEEE CC(C)n1cc(C2=CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 1569577716 CKKMSGSRIPDMIJ-MRXNPFEDSA-N 442.545 2.103 30 10 IEEE COc1ccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)nc1I 1584357830 IKFKTEYLEWGQFE-UHFFFAOYSA-N 434.193 2.165 30 10 IEEE C#CCCCn1c(N(C)Cc2ccc(C(=O)NC)cc2)nnc1[C@@]1(OCC)CCOC1 1587893865 JOGUGAVKCBREFQ-HSZRJFAPSA-N 425.533 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCc1cnn(C)n1 1588205199 GLCLDZSBHPVBEA-UHFFFAOYSA-N 433.516 2.187 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCOC[C@H]1OC 1588253613 BFTRSOXOKGQGHO-DENIHFKCSA-N 438.528 2.380 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1589528950 JWVWIGMBHMWOBN-LMMKCTJWSA-N 433.578 2.499 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2C2CC2)CC1 1594193470 QQACXUZKKOUBPF-QFBILLFUSA-N 436.626 2.308 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1594497647 LEEZLKIGUSPCHV-BRWVUGGUSA-N 435.594 2.030 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1594713536 DXTFTBYCLIDNRJ-QGZVFWFLSA-N 431.541 2.375 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1594802611 DPGNBVSDKWQBSU-QGZVFWFLSA-N 438.536 2.264 30 10 IEEE CN1CCCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1=O 1596924540 DDSYQMYOXUSLOB-BUIMCUSZSA-N 434.562 2.477 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cccc(CS(N)(=O)=O)c2)C1 1602731169 JDOLMCVOHXMABD-UHFFFAOYSA-N 449.330 2.184 30 10 IEEE Cc1oc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)N1CCCC1 1611500394 QJDRCGBDTLUYCT-IBGZPJMESA-N 429.498 2.458 30 10 IEEE CC[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1613237481 DKYVPAYIZVJAQD-QRWLVFNGSA-N 431.516 2.488 30 10 IEEE C#CCN1CCCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 1618029837 JDUGSISNNUJKLI-UHFFFAOYSA-N 447.582 2.120 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1618866889 PCDMUBNIVMDXLS-HXUWFJFHSA-N 439.516 2.402 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1619702441 FAEYELHANCEELJ-CVDCTZTESA-N 441.532 2.397 30 10 IEEE COCCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1619811028 IXEOVJXXKPFDNK-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE NC(=O)[C@](O)(CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1620633718 YVMPQVYTEQRIOG-WZRBSPASSA-N 432.311 2.462 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4ccc(S(=O)(=O)NC)cc43)n[nH]2)c1C 1620838470 SDJBJXMHBPPXLA-UHFFFAOYSA-N 440.529 2.187 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1624855396 KNVYIKGMHZQPAK-LJQANCHMSA-N 428.533 2.076 30 10 IEEE N#C[C@@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1625197819 UZIJBSXAQHWARF-MRXNPFEDSA-N 438.303 2.246 30 10 IEEE C#CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@H]1CCCc2ccccc21 1635884706 MUEPEBHMKFAMSX-YADHBBJMSA-N 435.499 2.268 30 10 IEEE CN(CCN(C)C(=O)C1(c2cc(F)cc(C#N)c2)CC1)CCN1C(=O)c2ccccc2C1=O 1638122343 QQRXLULNJAXRNS-UHFFFAOYSA-N 448.498 2.415 30 10 IEEE N#CC1(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CCCC1 1639708030 BAJWYPHVDYHCDV-HNNXBMFYSA-N 425.576 2.487 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 1640376084 KRGIDNHHWONOCM-ULQDDVLXSA-N 431.599 2.460 30 10 IEEE COc1ccccc1-c1[nH]nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1C 1640593627 FYOOZEBMTRKZSU-UHFFFAOYSA-N 425.470 2.071 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(O)Cc2ccccc2Cl)cc1 1641858267 UWLUMUXOXLOBAG-UHFFFAOYSA-N 425.894 2.337 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1 1644285193 LOEPRKJFKYLHLD-UHFFFAOYSA-N 434.521 2.127 30 10 IEEE CC1(C)CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)[C@H]1C#N 1645513885 DLLHDHWKXAQOAZ-YTBHAWNYSA-N 427.530 2.248 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1 1651805612 OVWOHHGTCYLNDP-HOCLYGCPSA-N 427.364 2.073 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cnn(C)c1I 1666585996 TXFRJFQLASBPMA-UHFFFAOYSA-N 447.298 2.410 30 10 IEEE C#C[C@@H](NC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccc(Br)cc1 1682357443 ZLWRKCOVXMROOL-DNVCBOLYSA-N 433.306 2.143 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 1682559870 ICTCJLMCTQNKCO-UHFFFAOYSA-N 438.503 2.095 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1689892261 BGZRLVVCXJMMNZ-GOSISDBHSA-N 443.573 2.367 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1689947353 FKPNGMPIZCDDJG-PGRDOPGGSA-N 445.589 2.135 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1CCO[C@@H](C)C1 1690092654 PWPXTFAUGFLCAA-ROUUACIJSA-N 426.521 2.217 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)COC)C1 1690689686 JVLJTTLLROSYDB-AEFFLSMTSA-N 434.562 2.412 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1690744729 STOBYZLZCAEKGL-KRWDZBQOSA-N 434.610 2.475 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1692617125 QIXINUJHOQDRTC-AZUAARDMSA-N 438.532 2.259 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1692813729 QYDMSIGENNQTPJ-VBQJREDUSA-N 443.483 2.284 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CC2)c1 1693036024 HRNLOUQHPLUMGS-NOVUIFNWSA-N 429.546 2.114 30 10 IEEE CN(CCCc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1696797322 RBKPCCUPODMUJP-DEOSSOPVSA-N 448.527 2.344 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCC(F)F 1697565533 SAQXIKNPGKCWBN-MRXNPFEDSA-N 432.475 2.412 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CC1(C(=O)N(C)C)CCCC1 1698060288 BBVRTYCGPSNFCH-UHFFFAOYSA-N 425.537 2.355 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1698484648 ULXNEFNXSKINNE-JXFKEZNVSA-N 435.454 2.138 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C)C2=O)c1 1705506993 OIISCBAPEWRSJW-DEOSSOPVSA-N 436.560 2.401 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705568606 RGLWUWXTRFVSFC-OAHLLOKOSA-N 442.463 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-c1cnn(C)c1 1705600842 NTUCVSREGNWCBU-UHFFFAOYSA-N 441.539 2.312 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H]1CC 1705900591 JDAYUIYTZCZHPY-RDJZCZTQSA-N 445.593 2.165 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@@H]1C 1706743628 CPIPHSFPXKLGPN-SNUQEOBHSA-N 437.342 2.324 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1706746972 GUFDFEZMFKRAQD-IEBWSBKVSA-N 425.537 2.190 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC[C@](C)(CC)O1 1709136870 ALBNTGZZWQPPRI-VGSWGCGISA-N 426.569 2.428 30 10 IEEE CCOC[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1710779949 DPXLZRBCFPEBGM-QBNCKDSPSA-N 430.553 2.256 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722314536 OXKFLJNCQDHDMT-UHFFFAOYSA-N 431.500 2.207 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722336373 LRPXVCSJGFVBAY-AWEZNQCLSA-N 438.454 2.492 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1722366823 SOJOOTHTIXTIFF-MRXNPFEDSA-N 442.463 2.203 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1722388419 WYPRJGAHIQVQEJ-HDICACEKSA-N 442.564 2.038 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCOC1 1722394592 XKXXRLLVNBATKV-SFHVURJKSA-N 430.512 2.082 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCCCC1 1722447413 MRPZTCIARCTPAK-UHFFFAOYSA-N 442.564 2.356 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1722500526 CEMFTCCOKURWIO-PGRDOPGGSA-N 425.533 2.391 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1722517892 OZKXUFAEJSOAOC-KRWDZBQOSA-N 447.609 2.143 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(CCC)CC1 1722726402 DXZWXCXHHWYNHX-IBGZPJMESA-N 439.626 2.431 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1723226579 MJUAMZDUQBYSRM-GOSISDBHSA-N 446.577 2.150 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@H](C)N2CCOCC2)cs1 1725280865 GRHUWMCJQAJGDK-INIZCTEOSA-N 429.594 2.485 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1726430707 ZNDQLFFYRLZQKJ-QHCPKHFHSA-N 449.515 2.448 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1729216544 OELJZQCURQZUKD-FUHWJXTLSA-N 432.525 2.255 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1730476823 LXYKTAWBPDKNJF-ZCNNSNEGSA-N 427.505 2.241 30 10 IEEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1730666640 SJKXORUBSYAXCM-UHFFFAOYSA-N 446.577 2.105 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740577684 MEZGLXBLIODJTN-NRFANRHFSA-N 436.564 2.354 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ncccc1Cl 1740604612 DACJFFZRBCTFPO-UHFFFAOYSA-N 435.879 2.118 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740627804 KQSHWZDPDGKWNC-QWFCFKBJSA-N 444.557 2.224 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(N(C)C)CCOCC1 1740674325 CDCYGHIAPCAVQO-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C(C)C)CC1 1740723727 SYEUSRJPAIHGQS-HKUYNNGSSA-N 449.621 2.110 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1cnn(C)c1 1740763442 LILKXXFCGBYPOW-RXVVDRJESA-N 427.553 2.142 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)C1 1740767231 NJAUKQNXHQTRLJ-HTAPYJJXSA-N 441.532 2.173 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2OC)n1CCC(=O)N1CCOCC1)C1CC1 1740912227 WMHVSLDLAUWZKK-UHFFFAOYSA-N 425.533 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(C)(C)OC(C)(C)C1 1740955043 KTFVOFPGDZXKBD-UHFFFAOYSA-N 441.532 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1 1740956035 KPXOHRANFBUDEZ-UHFFFAOYSA-N 447.543 2.280 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1742658304 DLHLCPYLKSGLQK-MRXNPFEDSA-N 425.468 2.124 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1747581117 HSJNPPWSFUKTCS-GOSISDBHSA-N 430.578 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N(C)CC 1748831042 FCENIQOTDRZUIR-UHFFFAOYSA-N 444.333 2.267 30 10 IEEE COc1cccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1748968033 JSECBWAWGXWHMJ-UWJYYQICSA-N 428.468 2.149 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC#C)CC1 1749027435 ZAHAVBFRMPPQTC-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749129292 BZTVBSAREIKQKR-NFBKMPQASA-N 446.640 2.448 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1749575868 YJIHSHQWBOFLBC-IERDGZPVSA-N 434.537 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1749734290 IKQUGMBCYYEIHT-UHFFFAOYSA-N 438.623 2.169 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1760099260 ZUJKNEQPZCPPSB-HZPDHXFCSA-N 442.545 2.358 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760188777 MSHWOFNRRQQZLY-KRWDZBQOSA-N 442.570 2.034 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760282752 OQQPDZJZFGREEB-NRFANRHFSA-N 448.589 2.389 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1760288497 DRLGPOUBNRUFFZ-JLTOFOAXSA-N 435.525 2.076 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1CSC 1760300541 HOZDFCGWMXXOTM-VXGBXAGGSA-N 438.417 2.129 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760428347 ULACACKRRABUBN-HNNXBMFYSA-N 442.545 2.071 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CC1(C(N)=O)CCOCC1 1760499668 GDBMYEYHQJJVCN-UHFFFAOYSA-N 436.516 2.450 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1760802778 GBTPXQKFPQQOCH-FQEVSTJZSA-N 430.509 2.472 30 10 IEEE CC(C)NC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1761272485 ZWHJXOOVPUXZFY-PMACEKPBSA-N 438.532 2.146 30 10 IEEE CC[C@H](C)c1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763656046 NHINQHFSNYPIFV-MXLIYFDZSA-N 428.537 2.325 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C)C1)S(C)(=O)=O 1766869286 ZGMPIXICPLHURP-IAGOWNOFSA-N 446.577 2.102 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1767630258 MMVOGRPUHUECLL-JOCHJYFZSA-N 438.463 2.472 30 10 IEEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770790949 CWZINVFAFHQCOH-QGZVFWFLSA-N 442.474 2.000 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)C2)cc1 1772790619 RKQONQCWIPXADO-HNNXBMFYSA-N 428.466 2.150 30 10 IEEE COc1ccccc1N1C[C@@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1=O 1850898527 JUZYVAYHVDRROY-IBGZPJMESA-N 433.512 2.348 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CO2)nc1 1851325266 DNZHUAWAVHAIJV-HIFRSBDPSA-N 430.823 2.462 30 10 IEEE COCc1c(C(=O)N2CCN(c3ccccc3C#N)CC2)nnn1-c1ccc(OC)cc1 1851417514 MCEIJETVZFKEMR-UHFFFAOYSA-N 432.484 2.256 30 10 IEEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1=O 1854526502 PIEIMZQYPBRLAA-UHFFFAOYSA-N 446.916 2.367 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862597529 VLBZFSSCGMNVHC-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE C=CCN1C(=O)C(NC[C@H]2COc3ccccc3O2)=C(c2cc(OC)ccc2OC)C1=O 1863717655 VNJOTHGRXLZUKT-INIZCTEOSA-N 436.464 2.399 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(C)nn2CCC 1864319594 YHHZIKHFALKWCZ-KUHUBIRLSA-N 426.517 2.358 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@@H](CO)C2)=C(N)Oc2c1c(C)nn2C 1865227228 FIYSRHZNSUEKJD-OXQOHEQNSA-N 438.528 2.219 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 1869929944 PMGSOZZAMZPTBZ-IBGZPJMESA-N 444.532 2.382 30 10 IEEE COc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870147589 XOJIMDZSYCABAS-UHFFFAOYSA-N 445.527 2.471 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC)cn1CCOc1ccc(OC)cc1 1870569755 FOOZGJGMMPPIHT-UHFFFAOYSA-N 441.528 2.235 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N(CC=C)CC=C)nc1C 1872678880 PBKIDWPDEDWZRE-UHFFFAOYSA-N 447.473 2.009 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2)cc1 1874235290 AOWDEONGPLZKFA-SSDVNMTOSA-N 427.486 2.421 30 10 IEEE CN(C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)C1CN(c2nccnc2C#N)C1 1891615263 ZJPPBYRQMXMNJM-UHFFFAOYSA-N 437.463 2.008 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 1985010187 ZBRROQDIZYGVLT-HRCADAONSA-N 427.542 2.190 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1991984395 SWGABYXNXMAXNK-LSDHHAIUSA-N 425.526 2.086 30 10 IEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060724332 WFVUOQJBSILVCO-ICSRJNTNSA-N 438.532 2.222 30 10 IEEE N#Cc1ncc(Br)cc1N1CCO[C@@]2(CCCN(C(=O)C(F)(F)F)C2)C1 2174712319 NYAPQSCFVXUGHN-HNNXBMFYSA-N 433.228 2.476 30 10 IEEE C[C@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247839380 WQSWPZPIWXJNKX-LLVKDONJSA-N 442.753 2.016 30 10 IEEE C[C@@H](COCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2248398667 VVCYLVNEOTVIJL-LBPRGKRZSA-N 441.359 2.311 30 10 IEEE CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406025 UYTNKVGGGLPHJV-NWDGAFQWSA-N 440.375 2.137 30 10 IEEE Cn1ncc(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828981 IAPWRBSYLPPAJZ-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255855900 UQNIETZPFNEZOV-FRFSOERESA-N 431.342 2.299 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255855903 UQNIETZPFNEZOV-YSVLISHTSA-N 431.342 2.299 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)n1 2267097128 MXEQPKWLKVEIKJ-ZIAGYGMSSA-N 448.329 2.305 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267139086 AZWDLQZDVKHGEH-KBPBESRZSA-N 448.373 2.330 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513588 PJIJZRNNBMZZSE-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C=CCN1C(=O)OC(C)(C)C 2267541125 ZLBMCVXZBIXBCD-OAHLLOKOSA-N 446.357 2.108 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1O)C2 2267806475 XMNAGRZVTQLPPF-QKFKETGDSA-N 444.337 2.431 30 10 IEEE C[C@@H]1COC[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N1C(=O)OC(C)(C)C 2268646126 IDHRCJUOZZLPED-GDBMZVCRSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)[C@@H]2C1 2310291496 OIDLTGZQGGJFEH-MHTWAQMVSA-N 440.544 2.105 30 10 IEEE COCC[C@@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)[nH]1)NC(=O)OC(C)(C)C 2315390874 VAHPHCVQFAIXBX-KRWDZBQOSA-N 435.374 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)N2CC[C@H]1C2 2319938564 CPYDJFNIEZTCDU-HOTGVXAUSA-N 435.374 2.423 30 10 IEEE Cc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1 2327175087 RGBQCGSRPPIZSO-UHFFFAOYSA-N 441.513 2.469 30 10 IEEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331564935 KLDDKVNUEJMREV-UHFFFAOYSA-N 427.914 2.293 30 10 IEEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(NC(=O)OCc2ccccc2)C1 2365212203 PPYOVYWCKDCJPP-GSVIPDFHSA-N 436.574 2.001 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)c1 20292033 KFWKALZSIBMTDP-KEBDBYFISA-N 442.461 2.086 30 10 IEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2nccs2)n1N 20805410 UGGOKYUMRIWOIW-FBCYGCLPSA-N 434.555 2.019 30 10 IEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=C3CCCC3)n2)s1 21084627 BCENVCCZPLURBY-UHFFFAOYSA-N 428.569 2.467 30 10 IEEE COc1ccc(CN2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)c(OC)c1OC 29631712 BCPOIKPUWCEHKJ-HXUWFJFHSA-N 441.528 2.142 30 10 IEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)c1 102749573 JVJIUFKPEUHREJ-GOBJLOIFSA-N 440.500 2.094 30 10 IEEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(c5cc(Cl)ccc5O)CC4=O)nc3c2)CC1 170178902 VTJBCGGJVXWGFO-UHFFFAOYSA-N 438.919 2.390 30 10 IEEE N#CCNC(=O)CSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226827044 OWMFTCKCQYFWJK-IBGZPJMESA-N 439.493 2.351 30 10 IEEE Cc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(O)nc(=O)n3C)c1 254869904 MSNZSDAFJJKXSV-QGZVFWFLSA-N 448.483 2.030 30 10 IEEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C1CCC1 430974905 GDJQVRGGOYYHAP-UHFFFAOYSA-N 445.610 2.259 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 437155099 LALFSLJRXLUTPI-UHFFFAOYSA-N 436.484 2.390 30 10 IEEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)ccc1C#N 462480122 JLHQXMBDKRUFAX-UHFFFAOYSA-N 448.570 2.461 30 10 IEEE CN1CCC(=O)Nc2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)ccc21 469104058 RGPIXNWUWWPAFN-LJQANCHMSA-N 435.509 2.490 30 10 IEEE CCOC(=O)c1c(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)c(C#N)cn1CCOC 484027094 QRLWPTCEEXEYLG-UHFFFAOYSA-N 449.485 2.079 30 10 IEEE CCOc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 484989262 SPAXAAVOOOMBIR-UHFFFAOYSA-N 442.541 2.292 30 10 IEEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491599222 PCCBSAJWVNADOJ-UHFFFAOYSA-N 438.578 2.363 30 10 IEEE COc1cccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2=O)c1 506125514 DPPXLFTYWWHTGU-KRWDZBQOSA-N 441.509 2.308 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccccc1C 507080182 RQMKOOVLTIWEFR-UHFFFAOYSA-N 433.508 2.460 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508503335 FRTYLUZVMDMAKG-UHFFFAOYSA-N 432.956 2.297 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508797966 QDMZIYFVQIOGRC-GDBMZVCRSA-N 440.483 2.275 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC=C)CC1 508863469 KARROLZVCJUTFX-UHFFFAOYSA-N 430.940 2.217 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cccc1Br 509935144 RNLHZPUQUXPMRE-JTQLQIEISA-N 428.757 2.466 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 514522259 JEMDUUUDQLHSNY-INIZCTEOSA-N 435.480 2.009 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](c3nncn3C3CC3)C2)CC1 539452157 RPXDWLZAKWZVGF-MJGOQNOKSA-N 439.589 2.263 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCCCN3C(=O)c4ccccc4C3=O)C2=O)cc1 552521991 ZIWACSKLFKJHFK-OAQYLSRUSA-N 444.491 2.242 30 10 IEEE C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 556243956 SEBYMXURDLFAQO-KDOFPFPSSA-N 429.318 2.262 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1Cl 557849476 OSQQCIJMEMGVPY-HUUCEWRRSA-N 431.901 2.409 30 10 IEEE CCOCCCNC(=O)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673329 AVKXTMOXSFIICS-BKGYTENDSA-N 436.468 2.178 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3ccc(F)cc32)CC1 609296007 GCVCEWGXQNBFGN-IBGZPJMESA-N 428.489 2.401 30 10 IEEE CN(C)C(=O)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 619817383 SKYIEIWKZFQJAK-UHFFFAOYSA-N 443.555 2.465 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2[N+](=O)[O-])C1 732153471 HUOYDYYFZGEQKX-ACTSSSRDSA-N 441.488 2.333 30 10 IEEE Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732428139 AZVKZOUNCGSTRU-XUTLUUPISA-N 425.489 2.315 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CCN1C1CC1 732649913 UOZWZQBCNKYERS-HXUWFJFHSA-N 436.537 2.250 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CCN1C1CC1 732663592 AHMUIJUKUBFNQJ-SFHVURJKSA-N 435.509 2.060 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCNC(N)=O)ccc1Cl 735923198 CTSGAAJSNOIFIH-UHFFFAOYSA-N 436.921 2.119 30 10 IEEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 744841089 SYGHSJKCINJIKU-VQIMIIECSA-N 431.489 2.194 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OCC)c2ccccc2C)cc1 752685529 NEHMPTSNPWLPHF-FQEVSTJZSA-N 428.510 2.331 30 10 IEEE Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 756779925 LMTGHTNAQVPZQX-FPOVZHCZSA-N 432.528 2.255 30 10 IEEE C#CC[C@@H](NC(=O)[C@H](COC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757324978 FSDQHZDNWNFNEO-RTWAWAEBSA-N 436.464 2.133 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(C(C)=O)ccc3Cl)cc2C1=O 766510768 LUJOAVWLQLHTLC-UHFFFAOYSA-N 446.868 2.443 30 10 IEEE COc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC)c(NS(=O)(=O)C(F)F)c1 769624333 KGGNXUCFHWBSCE-UHFFFAOYSA-N 447.441 2.341 30 10 IEEE CNS(=O)(=O)c1cccc(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)c1 770859829 RKLRIJKUYHRHEF-UHFFFAOYSA-N 442.537 2.026 30 10 IEEE CC(C)c1nc([C@H]2CCCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 779702294 XZPMDYFVMXPVSG-OAHLLOKOSA-N 431.518 2.375 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)c1 784124913 FQOZXTGLPKDMCG-MJGOQNOKSA-N 432.590 2.421 30 10 IEEE COc1cccc(-c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cc2)c1 787786625 ALXJGKUWRPNHMR-UHFFFAOYSA-N 429.480 2.473 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)n1 789038108 NZGJEYWVMHHQTD-UHFFFAOYSA-N 437.544 2.227 30 10 IEEE C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N1CCN(C(=O)c2ccco2)CC1 803923748 YMSABELJCQJDGA-HNNXBMFYSA-N 439.443 2.238 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2)[C@H]1n1cccn1 814703258 JMGNVLNMOYARPP-MJQMVNBJSA-N 427.530 2.369 30 10 IEEE C[C@H](NC(=O)CSc1nnc(NN=Cc2ccc(N(C)C)cc2)n1N)c1ccccc1 1084642632 MJJBOPSJWLMEGC-HNNXBMFYSA-N 438.561 2.473 30 10 IEEE COCCN(C)CCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1141599512 OHSRETIRAZSONV-HXUWFJFHSA-N 430.549 2.477 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1156392267 HVZWZXDHLSVIBL-IAGOWNOFSA-N 429.583 2.263 30 10 IEEE COc1ccc(Cn2nnc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2C)cc1 1264925458 HBFDFQDYAWGRMF-UHFFFAOYSA-N 431.500 2.309 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1286272924 FQRLSKNNXACRQX-CYBMUJFWSA-N 444.421 2.435 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286291108 BNTFOBJLMUQKBO-OKYOBFRVSA-N 435.594 2.182 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286300465 URHIOXKIYFKPNB-HOJAQTOUSA-N 436.539 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1286300763 DNYHAZCBTJNHDE-OALUTQOASA-N 425.533 2.118 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286322892 HOUKXELMMKZLDJ-MRXNPFEDSA-N 427.471 2.480 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286354218 ILLSDIVLJBPSNL-UHFFFAOYSA-N 428.606 2.334 30 10 IEEE C#CCN(c1nnc(C)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1286385924 RFWHGFZRIRKGIA-CYBMUJFWSA-N 428.436 2.002 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286387454 QVFXQFXJDQOBLW-FQEVSTJZSA-N 437.569 2.461 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1286389627 NQDAZUYZCDFNCI-SFHVURJKSA-N 444.557 2.238 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nccn1C(F)F 1286407922 WANORHSBBGHIIW-UHFFFAOYSA-N 434.410 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286433074 JSPAFEXBMBULIX-IBPRQYQWSA-N 442.560 2.193 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCN(C)C1 1286455658 HLOBQHCCBYJVGS-DEOSSOPVSA-N 434.519 2.494 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nnc2n1CCC2 1286457822 WQXZBXRSOOKSSP-MRXNPFEDSA-N 439.495 2.229 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CCCOC2)n1 1286471174 JLIRRLQHQTVVCD-IBGZPJMESA-N 437.548 2.193 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1286480580 NSKIWGGAYARKEY-PMACEKPBSA-N 426.565 2.213 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1286495946 JHLVJLQNHYTYFX-LLVKDONJSA-N 438.406 2.154 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 1286507807 CGJUVTUAODFRFB-WBVHZDCISA-N 434.587 2.450 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286508987 LODFYSYNWWOVPH-KRWDZBQOSA-N 442.545 2.383 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1cc[nH]n1 1286520585 QHZHSONINHXLNF-HSZRJFAPSA-N 449.515 2.108 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286593602 NFWZUTNMOLKZTM-JKSUJKDBSA-N 428.541 2.195 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286604333 ILFRVXZCQXCWDB-XJKSGUPXSA-N 449.353 2.343 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286610193 ZPKQDELMKRPIMY-NRFANRHFSA-N 426.565 2.015 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286711669 OIKGRHICAGJTPT-IBGZPJMESA-N 443.504 2.272 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286717468 YOAHXZZQEBSYAX-LPHOPBHVSA-N 447.502 2.204 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1286718015 UEPKMWZMFZAAEI-ICFOKQHNSA-N 446.309 2.184 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286783632 XJINKDUFUAZHBC-IBGZPJMESA-N 446.983 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1286785944 UXAGPPTYGDJTSV-UHFFFAOYSA-N 448.531 2.134 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286790150 CJEZCLGNMJUSDB-KSFYIVLOSA-N 445.951 2.209 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1286792158 OHFIBLIFGLVUCZ-ROUUACIJSA-N 441.532 2.031 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286828211 JEBDKNPREGNPRG-UHFFFAOYSA-N 430.578 2.268 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCCC1 1288506487 HBUVYMOKFQQLTL-HNNXBMFYSA-N 444.561 2.133 30 10 IEEE N#Cc1ccc(NCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)nc1 1290717492 AUGVAGFBKDJPCS-CYBMUJFWSA-N 439.950 2.050 30 10 IEEE CCOC(=O)N[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1290968485 KRCZFROCDAMQLH-INIZCTEOSA-N 435.322 2.494 30 10 IEEE COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1293589576 KEDWQSXDQCHCLD-GOSISDBHSA-N 431.338 2.479 30 10 IEEE CCn1cc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCNC(C)=O)CCO2)cn1 1295901469 JJYCWACQXNRYRT-OAQYLSRUSA-N 448.531 2.137 30 10 IEEE CN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298356628 BGCRHEWCDOWMGH-YGCDDZCOSA-N 440.479 2.084 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1300357413 NOYQZHUGVTUKJW-FGTMMUONSA-N 442.564 2.336 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1300382430 TUMMOTMMNKLTAL-LJQANCHMSA-N 436.560 2.476 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1300398983 JACPCPASRBWZLD-MRXNPFEDSA-N 435.452 2.083 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300776355 HQGNQIIXYKZPRO-NRFANRHFSA-N 429.521 2.079 30 10 IEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1300784970 HSKJKMPJOPYCFG-IBGZPJMESA-N 439.564 2.267 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1301245520 JUNQJPFNESKSMN-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC=C(C)CC1 1301496735 GDCLMTMNLNMYLV-UHFFFAOYSA-N 433.516 2.134 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1301499140 YLTHBTIQSOIINX-SJORKVTESA-N 448.568 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)C1 1301575808 KPJNGSLCGIVONG-LBPRGKRZSA-N 428.356 2.483 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1301601503 FBEVEKHMSNKFFB-UHFFFAOYSA-N 436.969 2.208 30 10 IEEE Cc1nc(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)N(C)C)cs1 1304667506 ZFCOERIMTBFBBO-CYBMUJFWSA-N 438.561 2.119 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1304722783 GRJXKBPFQLDHBW-GOSISDBHSA-N 432.532 2.307 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CCCS1 1314701466 HRAGALIOQFJFFC-QFIPXVFZSA-N 440.573 2.397 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1n[nH]c(C)n1 1316275464 UQXDGRKYYFJFHI-ICSRJNTNSA-N 436.520 2.179 30 10 IEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(F)(F)F)CC1 1316359169 BAVIHNHDAJQWSS-UHFFFAOYSA-N 440.451 2.065 30 10 IEEE Cc1ccc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1353588931 HJPJCGCNYNPEGX-UHFFFAOYSA-N 428.470 2.230 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1358982666 FYZPORWCICDGKT-QGZVFWFLSA-N 446.960 2.408 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2OCC)CC1 1359028312 NXDOTQGCSITUNA-UHFFFAOYSA-N 436.560 2.025 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1359046220 JGQRXQOJBYASTP-UHFFFAOYSA-N 438.551 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCC[C@H]2C)CC1 1359047557 LAICKQITXNFICP-TZIWHRDSSA-N 442.608 2.360 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)CC1 1359179113 MEWFHZVFAHLYIR-IBGZPJMESA-N 449.577 2.272 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1359229969 AOEFSKYSJGNMCD-UHFFFAOYSA-N 428.512 2.160 30 10 IEEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCS1(=O)=O 1359232857 HTNJWILGMFYBQU-UHFFFAOYSA-N 426.546 2.459 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359585600 HSWRHOSTJUZDIC-HKUYNNGSSA-N 438.532 2.259 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1 1360622037 CPGDKQQXTSQVOJ-MRXNPFEDSA-N 427.530 2.446 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)s1 1447302843 LJMRZNWJIOUXOS-ZBSNKRKSSA-N 426.585 2.370 30 10 IEEE CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1 1468683767 JHPSMBXNPHXQKE-UHFFFAOYSA-N 446.334 2.160 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 1471338510 ZONOFFMEDJHECT-GOSISDBHSA-N 433.350 2.014 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1c(C)nc(O)c(C#N)c1C 1472311304 AIQPAVJDMREYOK-INIZCTEOSA-N 432.521 2.303 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1474823596 AKSFTVLMRUMZEG-UHFFFAOYSA-N 445.541 2.244 30 10 IEEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)c(Cl)c1 1475009483 BTWKGCDWAJYBGW-HNNXBMFYSA-N 448.932 2.216 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1)C(=O)OCC 1475580322 YHOBMEBNCQQDSS-INIZCTEOSA-N 432.901 2.414 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C[C@@H]1N1CCOCC1 1499698122 YQOJOONNJJRSJN-NRSPTQNISA-N 442.539 2.348 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1501204256 MBRRAAMIHOKOMI-WOJBJXKFSA-N 438.532 2.148 30 10 IEEE COc1ccc(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504219982 FUPATIDSMDISRG-XLIONFOSSA-N 438.532 2.130 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1504601231 VICVWLGFLWWILY-LJQANCHMSA-N 428.512 2.496 30 10 IEEE COC[C@@H](F)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504605846 FBCBYHONXNALNS-CVEARBPZSA-N 430.532 2.228 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507552971 BMUPBFZRQNYIGR-QHCPKHFHSA-N 430.597 2.301 30 10 IEEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)cc1N1CCOCC1 1507603239 UDCIFQHQPCUCFI-IBGZPJMESA-N 427.549 2.265 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(C)(C)O)cc1 1507636314 CAYYGJUGZQNBFA-UHFFFAOYSA-N 428.496 2.274 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCOC1 1507805674 NFKDCGTURUFLTL-LMMKCTJWSA-N 426.521 2.379 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1508077725 ZVZSUOSLILUPQD-HUUCEWRRSA-N 447.923 2.373 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOCC2(CC2)C1 1508134218 QVZGNXDYIHLHNH-UHFFFAOYSA-N 447.517 2.071 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1508782496 GFCTZNQWWADYIM-DEOSSOPVSA-N 449.559 2.036 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1509439694 KNNORDSBRYAVDB-QTEQDKRBSA-N 448.612 2.414 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1510673536 MOSROENUVDRPKX-WMZOPIPTSA-N 430.578 2.341 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)C(F)(F)F 1517785438 ALLXGBAZHRCEBN-IXDOHACOSA-N 448.449 2.499 30 10 IEEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cccc(C#N)c3Br)no2)cn1 1520341200 SEDFDCJDGROKLK-CQSZACIVSA-N 443.261 2.318 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)c1 1527475526 HWRATWAPWPNNIK-UHFFFAOYSA-N 442.378 2.112 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1CCCO 1539253094 LZKGFJXOMYJMMM-OAQYLSRUSA-N 428.540 2.413 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(O)CCOCC1 1539253223 PBVFMWVXUYNLEQ-UHFFFAOYSA-N 429.318 2.322 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC(C)(C)C2)CC1 1539467719 XTJZWNGDJUBJCP-UHFFFAOYSA-N 449.559 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(O)cc2)CC1 1539475623 KEGDJEOBKKGCFD-UHFFFAOYSA-N 430.512 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)cc2)CC1 1539481853 PAJNHMZCMMWJOZ-IBGZPJMESA-N 425.508 2.130 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1539514685 SZNPSUYJAVKHAM-KRWDZBQOSA-N 444.536 2.178 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1539751290 KEHPOVRKQORWLU-ROUUACIJSA-N 426.583 2.026 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1540026388 FLHNBKTUTZXJHH-MRXNPFEDSA-N 426.525 2.441 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)C(C)(C)C 1540087303 VTPBEEGKDNOTNU-UHFFFAOYSA-N 425.580 2.105 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1 1540694868 JIWRVZYFVKYFHH-SFHVURJKSA-N 429.494 2.190 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1540868387 CQXFGLRAUNTGCZ-IBGZPJMESA-N 431.544 2.353 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1540880720 ORCSTWZQCGUSMK-FUHWJXTLSA-N 434.562 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](OC)C1 1540898697 RPQSONMNGVEVAK-KRWDZBQOSA-N 442.545 2.161 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541478285 ZQUQPBPHYKGYON-FTHOYRMOSA-N 430.553 2.254 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1541885583 AMSFXFSFXPNYMT-BTYIYWSLSA-N 449.531 2.003 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)cc1 1542482675 APWKCBNIYFXAAM-LEWJYISDSA-N 441.532 2.480 30 10 IEEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1545976942 AZUBXMROJJQCNR-OAQYLSRUSA-N 434.548 2.297 30 10 IEEE N#Cc1cn(CCNC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)c(=O)nc1O 1557601230 GXOYNYWNVIATHE-UHFFFAOYSA-N 436.268 2.168 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)CC1 1560178762 DXYBIYOCBHRXTF-SKPFHBQLSA-N 447.624 2.448 30 10 IEEE Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)CC2 1584693631 IFWUAJRJLJPSEM-PXNSSMCTSA-N 436.516 2.424 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(=O)nc1O 1585508496 JPTDWRHGCDONSI-UHFFFAOYSA-N 436.497 2.135 30 10 IEEE C#CC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1585881796 JKLQKOMTIPDFGB-RBUKOAKNSA-N 445.585 2.332 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1587562412 OUJPGEFCBYAPMI-JKSUJKDBSA-N 429.496 2.297 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1587755092 TXZKIKUDXINZDC-UHFFFAOYSA-N 435.576 2.196 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)C(=O)C1 1593722431 PSCADDZCYWAPLX-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1593722444 PXHOYIXLXRDAKC-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1)C1CC1 1595054935 VBUSJJOBPUEBBK-INIZCTEOSA-N 435.594 2.174 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 1595577099 IXNPQQNCGNFWNQ-UHFFFAOYSA-N 444.967 2.487 30 10 IEEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)CCCCOc2cccc(C#N)c2)cn1 1595731325 IZYKPCMVIFDEQV-FQEVSTJZSA-N 430.530 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCOC[C@H]1C 1595823981 UTSBBMGLMZXASO-GOSISDBHSA-N 434.562 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595831609 UOEKJUCIKRIDQD-YLJYHZDGSA-N 426.583 2.156 30 10 IEEE CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cn1 1596342192 XENQIIFXGRZJEL-UHFFFAOYSA-N 446.515 2.413 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1ccc(F)cc1 1596814139 SOUCINXHVOWJDY-ZDUSSCGKSA-N 439.451 2.379 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cc2C)n1 1611648848 LHMUZGXMWYQMIS-UHFFFAOYSA-N 434.456 2.105 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1619628615 YBYBXAFFKFVUFC-QGZVFWFLSA-N 431.468 2.103 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCCOC(F)(F)F)c1 1620348826 ICNSFJRVZDGBON-OAHLLOKOSA-N 436.394 2.384 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(S(C)(=O)=O)CCCCC2)cc1 1622886562 KNPXMISWPJOQRP-UHFFFAOYSA-N 443.591 2.362 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)c1nc(O)c(C#N)cc1C 1624203806 SBUCLOKDYKCGMH-GFCCVEGCSA-N 434.290 2.319 30 10 IEEE Cn1nnc2cc(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 1627396767 HMRIORKLGWFTQY-UHFFFAOYSA-N 426.502 2.206 30 10 IEEE C=CCC[C@@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OCC 1627753026 WUCKKECBUDWVFM-CYBMUJFWSA-N 433.324 2.033 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 1628369667 KMUPAMLFNFMHGQ-AWEZNQCLSA-N 440.485 2.093 30 10 IEEE C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 1628622453 JYYZIKMWLUCFAX-HNAYVOBHSA-N 442.541 2.461 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1C(=O)OC(C)(C)C 1630915403 KLIMGYIRDGCSPK-OAHLLOKOSA-N 443.525 2.497 30 10 IEEE Cn1cc([C@H](NC(=O)COc2cccc(Br)c2C#N)C2(CO)CCC2)cn1 1637383452 YNXYHXXEVWRGCZ-SFHVURJKSA-N 433.306 2.453 30 10 IEEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C 1640821838 BUHJIVGHWCQILY-KYNCSHIPSA-N 449.573 2.328 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1641564516 UZQXLIUYRMICCR-UHFFFAOYSA-N 437.525 2.467 30 10 IEEE C=CCn1c(SCC(=O)N2CC[C@@](O)(CN(C)C)C2)nnc1-c1ccc(Cl)cc1 1644123811 PAXKSRXHQRVJOB-HXUWFJFHSA-N 435.981 2.402 30 10 IEEE C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1656571960 HTZLAKFYQCVYDQ-INIZCTEOSA-N 428.920 2.425 30 10 IEEE C#C[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 1662180832 DRWMMSYOZOCQGR-KRWDZBQOSA-N 425.348 2.444 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 1673305061 BPQLAQASOYWGQS-KRWDZBQOSA-N 445.372 2.239 30 10 IEEE CS(=O)(=O)[C@@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C[C@H]1C(F)(F)F 1674968686 UKTMVYUQBBZPFV-NVXWUHKLSA-N 444.479 2.144 30 10 IEEE C#C[C@@H](NC(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccc(Br)cc1 1686784515 OVECWMDSRWGVER-LJQANCHMSA-N 449.393 2.219 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H](C)N2CCOCC2)c1 1689870536 RDKJLNWMMFVNMC-GOSISDBHSA-N 436.560 2.323 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1689907648 GTIHLMKRSHDPBC-VAMGGRTRSA-N 431.581 2.342 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1689929973 IHINAWYPQCOSOZ-LJQANCHMSA-N 445.589 2.309 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689994441 YGJORUNYRUPXQA-FQEVSTJZSA-N 435.638 2.368 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689996594 KKEXGIUNAPNYTR-CQSZACIVSA-N 446.426 2.185 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCCCC1 1690092670 QUKFBXZIHFZHBU-UHFFFAOYSA-N 439.564 2.276 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC2(C1)OCCO2 1690104960 OAMCEYRFXGZUMK-KRWDZBQOSA-N 431.562 2.263 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2c[nH]c3ccccc23)CC1 1690111816 KJVPNESAWHWWQA-LJQANCHMSA-N 436.560 2.481 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)N2CCCCC2)CC1 1690126286 YMVCLFIXGCTWEU-UHFFFAOYSA-N 434.588 2.335 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690156016 RCPOZYSKEBKIDM-HZPDHXFCSA-N 443.639 2.039 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCCOC)C1 1690243745 OUJXCXHREZVDHC-NSHGMRRFSA-N 428.537 2.348 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2)CC1 1690328186 GXVQWCXJFDMGSG-MRXNPFEDSA-N 438.985 2.358 30 10 IEEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690430165 DZEPLXWXJKZQDV-SFHVURJKSA-N 437.610 2.389 30 10 IEEE C=CCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1690495687 FJDQKMYKVFQCKI-JOCHJYFZSA-N 443.552 2.022 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1690569798 MQDHKTLZRQFGDJ-OAQYLSRUSA-N 434.537 2.427 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1695430178 GNXCWSZBHLYBJK-UHFFFAOYSA-N 431.500 2.396 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(OC)CCC2)C[C@H]1O 1697064894 BJWSNZXVIQYZIX-RTBURBONSA-N 439.516 2.136 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1cccc(C2OCCO2)c1 1698060926 NKSRZIGJXFXDMI-UHFFFAOYSA-N 435.488 2.195 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1705567748 YVXVHZXRNSDDST-QGZVFWFLSA-N 431.587 2.338 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1705636184 AQLASXBOMFKIPX-UHFFFAOYSA-N 449.559 2.062 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2ccccc2)CC1 1705652634 HNPILCSNGDSSIA-UHFFFAOYSA-N 427.574 2.271 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705685828 JXCSVUUQMLJKPD-MGPQQGTHSA-N 435.388 2.339 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705729461 ZAFUQFSUIRLCDD-HBMCJLEFSA-N 432.613 2.183 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1705739440 GRDNNWNKWUJLHG-FQEVSTJZSA-N 443.548 2.018 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705811290 VCGKNPVQIXIDIJ-IBGZPJMESA-N 438.580 2.108 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(C)cn1 1705846794 SMMMHRDNDPSQNI-UHFFFAOYSA-N 434.592 2.470 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1705910240 WILQWNGATLIORJ-UHFFFAOYSA-N 432.532 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705932951 PHAMJVFYRIAPBC-HIFRSBDPSA-N 445.467 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1705933968 XPJHDXRTDXOTGH-KRWDZBQOSA-N 440.953 2.051 30 10 IEEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)(=O)CC1 1705940932 UBSZBEXZNRFHNB-UHFFFAOYSA-N 444.586 2.489 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCn2cccn2)c1 1722310450 WBWXPNWXGYPGCS-UHFFFAOYSA-N 441.499 2.078 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722315264 KNIHTQTXEWBLSO-CVEARBPZSA-N 427.509 2.117 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722315810 SOGAUFANRKHNQX-IBGZPJMESA-N 426.565 2.262 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 1722431853 SUPQSCZUIDXVJY-VGSWGCGISA-N 445.564 2.180 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722528470 GZVIHWFOJKIRIE-IYBDPMFKSA-N 440.342 2.478 30 10 IEEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1722597323 RWKWJEZOVVVORZ-LJQANCHMSA-N 433.578 2.256 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1722715455 NSJIZSAZOCTUJZ-UYAOXDASSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)C 1722723891 HTNBGHBANHMUQX-UHFFFAOYSA-N 439.969 2.160 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1722867749 HVBQOLTXZDMZGX-FUHWJXTLSA-N 426.521 2.294 30 10 IEEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1723630451 MOKIHJNSFRVCSH-NRFANRHFSA-N 427.509 2.051 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncnn2C(C)(C)C)cs1 1725345597 RKHGYZPXIOHTAP-IBGZPJMESA-N 429.529 2.471 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1740537823 ZZCYYELFXAYZSQ-RTBURBONSA-N 440.592 2.446 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncccc2C)c1 1740563299 SALFXDFSVSJRPS-IBGZPJMESA-N 443.511 2.037 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740617918 YXXWTUGJASDUGF-XWSJACJDSA-N 438.594 2.065 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740620477 WRNIMAXPHQAQPM-RXVVDRJESA-N 448.976 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn2ccccc12 1740648858 KXYRROVWAAIYGZ-XMMPIXPASA-N 432.528 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N(C)C 1740655665 FFMOAOAQTPVDHO-VQTJNVASSA-N 433.622 2.010 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOC2CCCCC2)CC1 1740692098 DWAJNWOEWMUMLG-XMMPIXPASA-N 445.608 2.425 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1740716080 KXDHDGYLTBVPFS-PMACEKPBSA-N 438.601 2.306 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740721086 WTWVVPSFWPNMQU-IBGZPJMESA-N 431.631 2.455 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1740738241 FEDOPXGANHKOKV-QSLWVIQJSA-N 430.372 2.032 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC(C)(C)C1 1740752645 YUVLVBLAOVWBFE-IKGGRYGDSA-N 425.599 2.496 30 10 IEEE C=CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1740910228 ARACKLRFIUBDCW-KRWDZBQOSA-N 431.562 2.283 30 10 IEEE CC(C)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1741362713 SWEBSFODOUHLMW-LJQANCHMSA-N 430.578 2.281 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742320426 PMLGTBXUTUJLTP-VZCXRCSSSA-N 446.515 2.305 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1747883008 RZAQPPVFNDTYBK-DHSYKJLNSA-N 442.442 2.435 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(COC)CCOCC1 1748685088 VAXRAOKMRWZZBJ-INIZCTEOSA-N 431.562 2.171 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748804511 IPNLCTPVVPBOSB-AEFFLSMTSA-N 446.573 2.484 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1748809610 ONDFBDRFYXFVLV-OOFWQKGWSA-N 442.541 2.309 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1748993822 NPHGXKQKQKIMDY-HSZRJFAPSA-N 435.620 2.387 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1749672030 NZDLREJMNBKDNX-UHFFFAOYSA-N 438.576 2.440 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)[C@@H](C)C1 1749877283 SCEJFFSFLRXEOJ-PXNSSMCTSA-N 438.532 2.212 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCOC[C@@H]3C)CC2)c1C#N 1751827294 HMNFHWNSJZPMCV-WMZOPIPTSA-N 440.596 2.488 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@@]3(CCOC3)O2)n1 1751837689 CRMIYLIIBHLKJQ-PERKRYKHSA-N 427.553 2.464 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186633 PPAKXPPISULHCQ-FQEVSTJZSA-N 429.590 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1 1760218366 FHMNDFKLWUDCHV-DOTOQJQBSA-N 431.587 2.212 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)CC 1760244070 WUKZQMGGWVBCEM-UHFFFAOYSA-N 441.532 2.478 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1760249388 KOIJXUIUCIVZJM-LEWJYISDSA-N 440.544 2.392 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCN(C)C(=O)OC(C)(C)C 1760251017 PXIMNKIMFGZRHW-UHFFFAOYSA-N 428.537 2.217 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1760262661 VICSKXVZFHMQAG-HSZRJFAPSA-N 447.562 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)cc2)CC1 1760269450 IOAPRFNHQRTJHW-LJQANCHMSA-N 425.508 2.325 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760282803 QUBTXGJBIKUNPV-NRFANRHFSA-N 448.681 2.074 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760335495 NHLAXNATSVSUTC-YRXWBPOGSA-N 440.610 2.413 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760427779 IILCWMMFBZGZNF-OALUTQOASA-N 449.621 2.279 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1760542970 PEQDWHVCBNXIAX-QZTJIDSGSA-N 432.546 2.037 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(OC)c2)C1 1760543871 TUZQPPNRUQBTCT-AZUAARDMSA-N 446.573 2.213 30 10 IEEE C[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1762904569 NUDXLCOHZVODQM-OVGZCAFISA-N 428.537 2.325 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCS1 1763496698 FGYWTFWXFIYPDQ-GOSISDBHSA-N 446.602 2.184 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1766345207 AXCNVOQOOVIWEB-VGOFRKELSA-N 428.512 2.428 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1769065750 AENNSNKXRZSFOR-LJQANCHMSA-N 438.532 2.390 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1772564549 JCRBZTCPWIVCRA-HUUCEWRRSA-N 427.571 2.106 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1Cl 1850576895 YNMSVFIHUKSDDJ-MRXNPFEDSA-N 439.903 2.317 30 10 IEEE N#Cc1ccc(NC(=O)NCCN2CCN(Cc3cnnn3-c3ccccc3F)CC2)cc1 1851121532 XQDADNKZABHDMR-UHFFFAOYSA-N 448.506 2.217 30 10 IEEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C2)CC1 1855837192 HAHKWTBCXQIDLB-NVXWUHKLSA-N 432.908 2.127 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862630617 XWWIGTVCETZSCM-WYRIXSBYSA-N 427.409 2.089 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(N(C)C)cc2)c1 1862701611 JLOKTCUHJSDYPC-OAQYLSRUSA-N 437.496 2.476 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 1862739752 GFOFCWSIINNBSW-KRWDZBQOSA-N 427.369 2.464 30 10 IEEE CCOC(=O)Oc1ccc(C(=O)N[C@H](CO)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867306612 VMRYESAYLFJTKI-RTBURBONSA-N 425.441 2.002 30 10 IEEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCCO 1870232932 PIWDTMSTKWPYAS-UHFFFAOYSA-N 440.529 2.277 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1ccccc1F 1870526990 JBGXEYMXOSNOKU-UHFFFAOYSA-N 443.519 2.351 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCc2ccccc2C1 1870542394 SJCDTWXATUWICK-JOCHJYFZSA-N 437.540 2.267 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871703994 WQWCDONPKKHBIN-UHFFFAOYSA-N 430.520 2.212 30 10 IEEE CCOc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1OC 1873528954 LAXLRLZNUDFJFX-PCQWDSEFSA-N 440.909 2.110 30 10 IEEE O=c1c(Cl)c(N/N=C/c2ccc(Br)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 1873529530 UVCOYDQJCYOYPP-CIPPFVMLSA-N 445.726 2.465 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(Oc1ccc(C#N)cc1Br)C(=O)O 1889033394 NRRDQKOADKDCLR-DYVFJYSZSA-N 427.251 2.446 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)C3(c4ccc(OC)cc4)CC3)CC2)CC1 1890199584 JHYPDACOUVWFGG-UHFFFAOYSA-N 439.600 2.375 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)cc1F 1891276418 PZJJGBLFEBUXBQ-UHFFFAOYSA-N 425.855 2.284 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)O1 1908271088 TULUVOZFXUHQTM-SLFFLAALSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1cc(C#N)ncn1 2013652107 PBGFAAJCFHOPPZ-INIZCTEOSA-N 425.445 2.314 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)C1 2020898977 CHIRRJAAVGDFIM-FQEVSTJZSA-N 439.509 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(C)(C)O 2022894296 KUNOKMRPUWXEOE-SPLOXXLWSA-N 440.541 2.012 30 10 IEEE C=CCN1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 2053515619 CHDBXOIMDXJJPS-UHFFFAOYSA-N 441.582 2.224 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666030 SPHQSWWJGNPLAE-CVEARBPZSA-N 447.341 2.249 30 10 IEEE C=C(CS(=O)(=O)N1CC(CCNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435957 ZPTXTVIRRGAACO-UHFFFAOYSA-N 430.376 2.350 30 10 IEEE C[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247832754 USMZUOGVDXHKIA-GFCCVEGCSA-N 437.371 2.428 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2247837770 XPRCDRUVHFBCOV-HZPDHXFCSA-N 425.363 2.303 30 10 IEEE CCN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255630696 NSZZOUQESPWUDY-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2255823769 XMKDMCMZUJLESP-GOEBONIOSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256034373 IGMWRLKABBHNPS-KBXCAEBGSA-N 433.358 2.208 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)C[C@H]21 2256720695 HCUVFYMPYXACCZ-GVDBMIGSSA-N 434.342 2.152 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)[C@@H]2C1 2266064628 CVWSNIOVMROHKC-HZPDHXFCSA-N 449.332 2.344 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267009791 QJTAADAERKCODD-HZPDHXFCSA-N 448.373 2.285 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493732 MNMYMLYULRHQHX-LSDHHAIUSA-N 448.373 2.155 30 10 IEEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267561446 PHXNNVDGJVJLKD-HDJSIYSDSA-N 449.361 2.115 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267610095 XSSWSJQVNYFLHW-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE CC1(C)OB(c2cccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2269085463 RETKMRXTAPDCQX-UHFFFAOYSA-N 438.333 2.302 30 10 IEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271390950 XOGSGPXTWRINTE-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE Cn1cc(I)c([C@@H](O)C(=O)C#Cc2ccc(Br)cc2)n1 2296268395 DFKMWSYPGXRCOU-AWEZNQCLSA-N 445.054 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2312862355 YUXOHGJUJFASBI-QPSCCSFWSA-N 438.330 2.438 30 10 IEEE Cc1c(C=C2SC(=S)N(CC(C)C)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2314435750 INBUOJHPOYTWNT-UHFFFAOYSA-N 445.614 2.174 30 10 IEEE COc1[nH]c(=NCC(F)(F)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501068 BRHPBOVSRJYWBQ-UHFFFAOYSA-N 443.300 2.383 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(C)cc1 2330748368 ARIXPEJPUQZAJG-UHFFFAOYSA-N 426.502 2.106 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2336904695 PJDSSJUXEDDSQG-CQSZACIVSA-N 448.373 2.445 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)n1C 2337282693 GYKJSNZNLPNGRW-IBGZPJMESA-N 439.365 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CC[C@@H](B4OC(C)(C)C(C)(C)O4)C3)nn2)C1 2342468732 JTHXJMFCTQLUFV-CQSZACIVSA-N 447.345 2.378 30 10 IEEE C=CCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCCC)cc1Br 14669267 JSKSGXXZMORWPR-OAHLLOKOSA-N 439.306 2.298 30 10 IEEE C#CCN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)[C@H]1CCS(=O)(=O)C1 250644634 JBTVVBHCPRMZOQ-DOTOQJQBSA-N 431.539 2.141 30 10 IEEE COCCCN(C(=O)c1ccc(C#N)cc1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 439125973 YHEQBOCMRXMTFP-UHFFFAOYSA-N 447.495 2.443 30 10 IEEE N#CC1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 443230695 YUYUYXFHGZXAQU-UHFFFAOYSA-N 439.481 2.135 30 10 IEEE N#CCN1CCC(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 464970593 DUWPCSSBEZZPRY-UHFFFAOYSA-N 438.981 2.092 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNS(=O)(=O)CC3(C#N)CCC3)cc2)C1 477527847 MWGOUYILHGBNNL-MRXNPFEDSA-N 425.576 2.220 30 10 IEEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1(C#N)CCN(Cc3ccccc3)CC1)C2=O 479290872 UFYINSHKKCIPIP-HOYKHHGWSA-N 437.544 2.162 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(-c2ccncc2)cs1 481544620 ZUNBZJDLPQDHOB-ZDUSSCGKSA-N 427.511 2.060 30 10 IEEE C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(C#N)cc1 504178729 PPANBWNAXMFOGE-AWEZNQCLSA-N 434.543 2.201 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)nn2)cc1 504443249 PYKZKTHDTZXPJO-NRFANRHFSA-N 445.483 2.142 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)Cc1ccc(C(=O)OC)cn1 507555136 YOTISUNXUNNMBZ-UHFFFAOYSA-N 428.470 2.295 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 507746018 BYSCDBDLIWHDEC-VQTJNVASSA-N 425.577 2.387 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 518787947 HNENMDBMOVCKQN-FQEVSTJZSA-N 427.526 2.193 30 10 IEEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 539025233 LQPBPFDTEZRMAV-LJQANCHMSA-N 430.530 2.328 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(N3CCc4cc(F)ccc43)CC2)CC1 558729196 GZMGKKSLMIPEMO-HSZRJFAPSA-N 427.568 2.345 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CCOC)[C@@H]1CCOC1 568565897 CVLULJVEVOXRGT-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCCO2)c1=O 568577693 KCWYMIGBZSJYOI-INIZCTEOSA-N 444.528 2.355 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 585831189 QDENIOWDCBDRTK-ZHUPGMNKSA-N 449.482 2.187 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c(F)c1 586860741 PMFHAWSZGMYEEI-UHFFFAOYSA-N 434.431 2.165 30 10 IEEE CC(C)(C)CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 611429025 AHEQEHBDDYILFH-GOSISDBHSA-N 431.606 2.037 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)CCN2C1=O 619820204 YKWXHNRSPVQSQP-HXUWFJFHSA-N 441.495 2.338 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 619860181 CLDMVBQDYTTZKQ-QZTJIDSGSA-N 425.489 2.155 30 10 IEEE C=CCn1c(CCc2ccccc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 669815971 FSAVDDBIEBBLCJ-HSZRJFAPSA-N 438.620 2.481 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2c(C)nn(C)c2C)cn1 726111812 WDQRGYZRWLZTRI-SFHVURJKSA-N 443.577 2.096 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 727414932 FKPYAAQQWQNBNF-OAHLLOKOSA-N 426.519 2.438 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccoc2)c1=O 727415998 BXOTYGUXPDXNAW-UHFFFAOYSA-N 425.535 2.398 30 10 IEEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@H]1CCCO1 730138158 BPEUXBQXULCHJQ-ROUUACIJSA-N 432.590 2.482 30 10 IEEE N#C[C@@H]1CN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CCN1C1CC1 732649823 TYHWUXYKNQNCDG-MRXNPFEDSA-N 440.363 2.202 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CCN1C1CC1 732706896 RIVPQIBCPVYTCJ-HNNXBMFYSA-N 441.875 2.323 30 10 IEEE CCN(CC)C(=O)COc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1Cl 733889799 BBUIFSVXGHPAKL-MRCUWXFGSA-N 448.907 2.442 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(OC)c3)n(CCC)c2=O)cn1 735069559 WBDMTKOTDSLHJU-UHFFFAOYSA-N 436.537 2.321 30 10 IEEE C[C@@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)NC1(C#N)CCCCC1 744894986 NNELTWBPGZVKMM-LLVKDONJSA-N 433.408 2.263 30 10 IEEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 774980981 QQFYBSSPKFTBJJ-FQEVSTJZSA-N 438.546 2.336 30 10 IEEE N#CCCCS(=O)(=O)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 776116701 XVGOYQOXYGPGFP-UHFFFAOYSA-N 438.307 2.271 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 779378500 UQQNHRBUNZOXRD-UKRRQHHQSA-N 430.357 2.404 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccsc1 790432950 BSHDVEFDOKESQF-UHFFFAOYSA-N 448.529 2.089 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)[C@H](c2cccnc2)C1 799922138 VKIRUOIZGIELBE-IBGZPJMESA-N 428.537 2.373 30 10 IEEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 804022674 BAFPBFJUKMWDQM-PBHICJAKSA-N 432.496 2.465 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 806097518 RWRGQQFUGLRHJT-LJQANCHMSA-N 427.526 2.464 30 10 IEEE Cc1ccccc1[C@@H](O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 811525820 VEVFPEFRZRKPIK-QFIPXVFZSA-N 427.526 2.117 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2c(O)nc3ccccc3c2=O)cc1 915405667 UOZLSKJVGDBOBC-MRXNPFEDSA-N 434.452 2.289 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 921164485 HHFDJRGXKLIBGE-ZDUSSCGKSA-N 432.420 2.201 30 10 IEEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=C(C)c3ccccc3O)n2)o1 1084269548 ONLPQYKXILJRHW-UHFFFAOYSA-N 430.494 2.043 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cc(C(=O)N3CC[C@H](OCC=C)C3)cc([N+](=O)[O-])c2)C1 1116598133 XSEFZSZKAYWHQW-PMACEKPBSA-N 429.473 2.429 30 10 IEEE COc1ccc([C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C2CC2)cn1 1131823495 SQKWMMSJMLYNHX-NQIIRXRSSA-N 433.468 2.434 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)CC1 1137371189 HMSXAMHIURYHDY-AIADIJKESA-N 428.920 2.319 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccncc1Br 1154144653 GEJJXPMXYBDAOM-NEPJUHHUSA-N 437.319 2.260 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)cc1 1181755027 BZEFHJMTXBRLCG-IAGOWNOFSA-N 441.525 2.228 30 10 IEEE Nc1nc(N2CCN(c3nc(F)c(F)cc3F)CC2)nc(C(F)(F)C(F)(F)F)n1 1186095251 MZJNHCPLVGRMKU-UHFFFAOYSA-N 429.275 2.247 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1196057621 RPBXEHXRLZZUGJ-UYAOXDASSA-N 435.590 2.048 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)CC1 1226280888 IFHYFFUPHDHBDP-UHFFFAOYSA-N 446.617 2.201 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)nn1 1264889240 XWSYZOMTGOVEKN-UHFFFAOYSA-N 439.520 2.027 30 10 IEEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1nccs1 1265711042 KFNWCCXCQFRRLR-CQSZACIVSA-N 434.499 2.118 30 10 IEEE CN1C[C@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)CC1=O 1267515850 UONUDDMFOHLWCF-HUUCEWRRSA-N 440.422 2.464 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1280275778 PNMDAVGJFIQYJN-HDICACEKSA-N 433.574 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1286298765 OWGGKRWQJSOFOD-YRPNKDGESA-N 435.638 2.396 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1286459493 NIJDYIDGIXQLQR-XMMPIXPASA-N 432.528 2.366 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(NC(C)=O)cc1 1286464687 DRWFMVDLDHUPOS-FQEVSTJZSA-N 425.533 2.459 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286508324 QOXRTCLUSMLQSP-ROUUACIJSA-N 433.603 2.384 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)COC)CC1 1286533031 CHTPQKVRZAZAQK-UHFFFAOYSA-N 438.326 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C)C1 1286818664 ZBOFXDKPSAIKOK-HOTGVXAUSA-N 438.525 2.383 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)[C@@H](C)C1 1286881748 BWMSQLIDWOJRIT-HNNXBMFYSA-N 448.474 2.067 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1Br 1289604265 HQYSYDGYZQBLRV-CABCVRRESA-N 445.321 2.023 30 10 IEEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCOC1(C)C 1291315759 FJFUZFWUCMZYLK-CYBMUJFWSA-N 436.438 2.499 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)C2=O)cc1 1297335828 RBOWVCNAZXCUJS-QGZVFWFLSA-N 436.424 2.159 30 10 IEEE CN(Cc1ccon1)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298473393 KXOREVMQSKVBDM-QURGRASLSA-N 447.499 2.214 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1300492688 OPCQBGDLLJLOFN-GOSISDBHSA-N 432.521 2.116 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1300699533 DYCFIPBGVKCEDJ-YPAWHYETSA-N 428.625 2.295 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Cc2cccs2)CC1 1300706019 GTHVRVMGIGOXQH-SFHVURJKSA-N 426.590 2.096 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301000631 UZDKOJFDSCMSIS-QHCPKHFHSA-N 436.516 2.038 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301135869 URCWLNUHVAKSKQ-LJQANCHMSA-N 430.597 2.275 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccccc1F 1302095233 UBAPZAQIBQUPOF-VQIMIIECSA-N 428.512 2.366 30 10 IEEE Cc1ccccc1Cc1nnc(Nc2ccn(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1304559010 CYPCZLXPKFLRJX-QZQOTICOSA-N 432.488 2.181 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315811475 HALLHNKKGINKKU-WMZOPIPTSA-N 444.511 2.123 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCCN2CCOCC2)CCO1 1316539036 MTMKEKBUUROKJE-QGZVFWFLSA-N 430.940 2.440 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2nnn(C(C)(C)C)n2)cc1 1358085103 YGLBYKSMENEBRR-HKOYGPOVSA-N 447.565 2.202 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCC(=O)N1CCOCC1 1358897935 JBHAHSZDKLVZDM-SFHVURJKSA-N 425.533 2.126 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358955161 FYRWJDKSYCAJDG-GOSISDBHSA-N 446.573 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)N1CCOCC1 1358969979 BONUCKCZMBRMSD-MOPGFXCFSA-N 425.508 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCN1CC 1358976704 NSTICZADWKWZGN-LJQANCHMSA-N 443.555 2.139 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1359040443 VFVRRTJBJUIFKF-CYFREDJKSA-N 443.592 2.270 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H](OC)C(F)(F)F)CC1 1359173586 JEZLPKJANZNJIH-TZMCWYRMSA-N 439.504 2.258 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1359207275 FWLLLHGUJNUULJ-UHFFFAOYSA-N 439.564 2.440 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1CCOCC1 1359294602 YOBQYXCDGFMTTI-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1 1359304725 HOZWEJJSPPPUDP-UHFFFAOYSA-N 447.511 2.134 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)C1 1359311989 LXUTZVYWKQMSTA-QGZVFWFLSA-N 431.924 2.168 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCOCC2)C1 1359323384 NJVQOFVADYZWRU-INIZCTEOSA-N 434.487 2.470 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H]2COCCO2)CCOC1 1360340748 FKZSSHCYYJZOTK-BVYCBKJFSA-N 433.553 2.254 30 10 IEEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C#N)(C(=O)OC)CC1)C2=O 1449425884 PJRWJMAWZVXAMM-UHFFFAOYSA-N 446.548 2.209 30 10 IEEE COc1ccc(Cn2nnc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2C)cc1 1456272374 DEYMDJKQUISBGO-NRFANRHFSA-N 430.512 2.494 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](OC)[C@@H](C)C3)nnc12 1457809787 HHTOZLWPVWCCOM-YOEHRIQHSA-N 427.530 2.206 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4nc(C#N)ccc43)c2)C[C@H](C)O1 1461272883 CVMCIILUNZNJIT-HOTGVXAUSA-N 440.525 2.344 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CCC(O)CC3)c2)s1 1465491326 QZGWJUZAHAWADY-UHFFFAOYSA-N 449.598 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3F)C2)C(=O)C1 1467266538 DMLYGOIPPIHBCM-MRXNPFEDSA-N 430.480 2.381 30 10 IEEE C#CC[C@@]1(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1468184293 ZWILIISQOFUWAQ-ZHRRBRCNSA-N 439.553 2.123 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(C(=O)C(OC)OC)CC2)s1 1469990638 CEHBBQRSCOQIBF-UHFFFAOYSA-N 433.983 2.128 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1470364482 BCSPYNLGYDTQMY-INIZCTEOSA-N 442.375 2.029 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1471017671 RVFWJTDBNLMBTD-UHFFFAOYSA-N 431.537 2.321 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)ccc1F 1472141802 KESVMYUKWCBXMX-UHFFFAOYSA-N 427.498 2.077 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)C2)nc1 1478497844 OBLWCMWMASZNCK-OAQYLSRUSA-N 448.527 2.212 30 10 IEEE Cc1nnc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)s1 1492764727 NFSDZTUMOUPEHV-LJQANCHMSA-N 441.496 2.160 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C[C@@H]1C 1502322766 DYXFYGAWBKRPOV-UGKGYDQZSA-N 437.592 2.194 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1503843893 DNCRSWRXQXUSFU-ZQHDKMAOSA-N 427.530 2.117 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccsc2)nnc1N1CCSCC1 1505354891 RBRFXGDYYQAIPE-ZCXUNETKSA-N 430.559 2.010 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N1CCN(CC)CC1 1507522588 DXBAZBDPXFCGSG-OALUTQOASA-N 440.592 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN(C)C(=O)OC(C)(C)C 1507665658 RDRJKJJBJQMTKN-UHFFFAOYSA-N 425.537 2.399 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1507786547 XWNWMOXHWTUNDB-HOCLYGCPSA-N 437.342 2.392 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507835824 NEYHLIHTTIJWMR-QGZVFWFLSA-N 434.585 2.140 30 10 IEEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1507850805 BMEGRFJUBATRKH-LJQANCHMSA-N 425.533 2.227 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1507984656 ZLMKLUVEFQIWDC-MJGOQNOKSA-N 449.577 2.009 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1508039238 MKKSSAISOADTAA-IBGZPJMESA-N 446.573 2.192 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)on2)CC1 1508130311 HMNDQLALMGDBHY-MRXNPFEDSA-N 436.582 2.011 30 10 IEEE CCCN(CC)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1514700213 AXOOIXQKGQWMLH-FQEVSTJZSA-N 433.557 2.443 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 1515162161 KYOCFYXSOXNYCC-QGZVFWFLSA-N 428.533 2.370 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(F)(F)F)CC2)c(F)c1 1521094868 HJLOMDMRECSUQP-CQSZACIVSA-N 437.401 2.129 30 10 IEEE CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1534628498 BAIQTGVWCXKYIQ-INIZCTEOSA-N 446.504 2.442 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)cc2[N+](=O)[O-])CC1 1535785068 BTPCSQYIHUMNNK-FQEVSTJZSA-N 433.468 2.032 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1539004803 NNZACLOTBRXHEF-MRXNPFEDSA-N 435.532 2.163 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1539012136 IZGSIJKMXLPVHH-ROUUACIJSA-N 435.569 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccs1 1539408921 IAQLTXBACPPBGL-UHFFFAOYSA-N 434.525 2.388 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1539600255 POSZDFTZIBSWFP-RHSMWYFYSA-N 445.383 2.096 30 10 IEEE C=C(Br)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1539608846 FKHVLRGQYJLUPI-GOSISDBHSA-N 439.358 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1 1539638158 XCVBXCJMTPEWBO-LQWHRVPQSA-N 425.533 2.170 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539829629 BLISNNMRRJROJI-UHFFFAOYSA-N 431.562 2.166 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c1C 1540135593 GDEHRZIEKGIIPH-UHFFFAOYSA-N 443.573 2.486 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCn2nc(C)nc2C1 1540866353 KTEXRIGZEGMUOG-UHFFFAOYSA-N 447.330 2.474 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@](C)(CC)C1 1540871573 OOKZCEFZOXEAMS-XMSQKQJNSA-N 427.505 2.098 30 10 IEEE C[C@]1(c2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2)NC(=O)NC1=O 1543865545 VOMVOQRGXCQECW-LJQANCHMSA-N 443.257 2.393 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(CCC#N)CCN2CCOCC2)cs1 1544337248 PPUJPVLPSNFEPB-OAHLLOKOSA-N 437.566 2.417 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1547814284 VSLHOBIPMXBXQQ-IBGZPJMESA-N 439.520 2.058 30 10 IEEE C#CC1(NC(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CCCC1 1559027565 FATGGOHFSRADOA-UHFFFAOYSA-N 425.470 2.145 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 1561572740 SGMWCSCZHVRBEY-HOTGVXAUSA-N 427.526 2.247 30 10 IEEE CN1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)C1 1565741957 TZSSGPSIPOMOIL-QFKVYABISA-N 445.608 2.012 30 10 IEEE N#Cc1ccc(C2(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)CCOCC2)cc1 1587212789 GXOYCLQSKQRNIL-UHFFFAOYSA-N 431.489 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1587554912 AGWXMBRRWJCIOI-DLBZAZTESA-N 444.967 2.040 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC(=O)NCC(F)(F)F)c1 1587683219 FGOSVPBRFWJEQS-UHFFFAOYSA-N 436.438 2.136 30 10 IEEE CN1C(=O)CO[C@H](C(=O)Oc2c(F)cc(C#N)cc2Br)[C@H]1c1cccnc1 1588058141 QDCAGZOEXKVIEW-WBVHZDCISA-N 434.221 2.359 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCc1ccc(OCC(F)(F)F)nc1 1588140432 XJQUDPFIFVMOSA-KRWDZBQOSA-N 433.434 2.434 30 10 IEEE COC(=O)Nc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1F 1588157714 GMQFKRLTAXKUIS-UHFFFAOYSA-N 446.460 2.022 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CC 1588550612 VXJPBIDQVMAJTK-UTKZUKDTSA-N 434.537 2.120 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1588806106 GQDXIHIPGQLYQI-UHFFFAOYSA-N 444.587 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCn2nc(C)cc2C)CC1 1588913514 LHBRJLBCNLPSPK-UHFFFAOYSA-N 446.559 2.210 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1593763347 HLGVRZACAFUBNW-INIZCTEOSA-N 444.502 2.066 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1594733514 URBFGVIUPZKNQZ-SJORKVTESA-N 448.568 2.220 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1594812199 CYTHIDVWACGTLS-VQIMIIECSA-N 427.505 2.050 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC=CCO1 1595108587 DHRURBKNMHMZMZ-HKUYNNGSSA-N 431.562 2.426 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCOC2)C1 1595682290 ZSXQZEQLDAPIEQ-LAUBAEHRSA-N 436.459 2.479 30 10 IEEE N#Cc1ccccc1Oc1ccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)cc1Cl 1597509946 PHUPJSIUCDEUTC-UHFFFAOYSA-N 447.900 2.166 30 10 IEEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1612787228 CRROWIWAEKRYPG-AEFFLSMTSA-N 428.562 2.335 30 10 IEEE CCOC(=O)CCCNC(=O)CSc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 1613303403 FRVCAUIZUKOOJV-UHFFFAOYSA-N 430.486 2.281 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1614079396 DMYZQFGJOCIFSW-RBUKOAKNSA-N 438.532 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 1618244076 ORSYMTDIZFCNBF-UHFFFAOYSA-N 445.495 2.128 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1619769329 XSCGGPXWIRRNCR-FZKQIMNGSA-N 439.358 2.429 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1620002594 VIEHGQSPOAIVKQ-MBOZVWFJSA-N 439.582 2.099 30 10 IEEE C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@H]1CN(C)CCO1 1622416318 OWWBNZWTZCASKZ-BEVDRBHNSA-N 428.533 2.228 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)CC1 1623968860 CLNHHGUZJLZHGG-KZNAEPCWSA-N 449.548 2.486 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccc(OC)c1F 1629642582 IYPGKWJWAJUUSL-CQSZACIVSA-N 434.493 2.143 30 10 IEEE C=CCOC[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21)C(=O)OC 1635158472 BNUQIZXTYFHQGH-SBUREZEXSA-N 448.516 2.222 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC[C@H]2C1 1642363755 ZYOXELMHLCHHGJ-AGUJHBOHSA-N 432.521 2.055 30 10 IEEE C#CCN(Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1657421314 VYUBQRQTXNUYFS-AWEZNQCLSA-N 425.576 2.059 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2c2ncc(Br)cn2)CC1 1660237391 DXUOQXKBZFDLMO-MSOLQXFVSA-N 449.397 2.458 30 10 IEEE C=C[C@H](COC)NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1680389381 KYTNLXKSXPUCKE-DLBZAZTESA-N 426.558 2.077 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1689853793 YLHAAZZIYUSEJM-UKRRQHHQSA-N 447.565 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccccc12 1690047013 KHFMOBDNWIZSBM-IBGZPJMESA-N 435.553 2.367 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCOC2)n1 1690109241 LKFCEYJRKHAQSI-UXHICEINSA-N 442.564 2.081 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690285519 AXEHDVATWYTAFA-DLBZAZTESA-N 430.578 2.377 30 10 IEEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(=O)(=O)N(C)C)CC1 1690366077 PQVKUBANOGZWIG-UHFFFAOYSA-N 441.561 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1690660804 OPQNUEYUDMPRNJ-KRWDZBQOSA-N 449.540 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](C)C1 1690662952 GYCSHNYBHVYFRF-MRXNPFEDSA-N 431.562 2.277 30 10 IEEE Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCN/C(O)=C1\N=CC=CC1=O 1693463829 VZOICSXHBXKZSO-CCEZHUSRSA-N 441.439 2.225 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)C1 1696920162 SLYXBFLUXAFBKP-NRFANRHFSA-N 432.475 2.451 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C1 1697038984 CKOBYWZKKAVPHS-SBUREZEXSA-N 439.516 2.279 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1705501145 WQIJBSIEPKBOQZ-AWZKZOKMSA-N 443.511 2.265 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705538563 SWZNSPNAHJPPOP-KRWDZBQOSA-N 437.573 2.486 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1705540170 PFQZWBNBCNLTOY-OAQYLSRUSA-N 436.560 2.429 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C1CC1)N(C)C 1705628507 JBDPEVZRTDZVCV-RXVVDRJESA-N 425.533 2.217 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCSc2ccccc2)CC1 1705641984 BHHIJUTXWXYALZ-UHFFFAOYSA-N 438.601 2.338 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705792391 SHAWEXCKXNWGED-GOSISDBHSA-N 449.621 2.231 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1705903391 UQOOLOOMDQSKEP-HXUWFJFHSA-N 449.559 2.063 30 10 IEEE Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCCCCCO)CC2 1711281923 MRIZFLVAJFPHJT-UHFFFAOYSA-N 433.516 2.026 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC(=O)N2CCCCC2)cc1 1712879620 HIGWDUZLOIXVJC-IBGZPJMESA-N 449.559 2.311 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1722282222 XZHNNGUAFUCWCU-AVRDEDQJSA-N 446.573 2.003 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCn1cncn1 1722282688 ONCYVIBVCJKQJX-ZDUSSCGKSA-N 430.310 2.466 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722318804 SHIVBDSLBGNUIO-UHFFFAOYSA-N 435.454 2.440 30 10 IEEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722320159 YUCLSWSMMFVDKG-DENIHFKCSA-N 426.609 2.413 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1722323001 ALRPPUIUKFYWPO-WMZOPIPTSA-N 431.562 2.304 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722339362 SYIMLDZKZXXYQM-SFHVURJKSA-N 428.581 2.193 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 1722368674 UPWIBNMHPMLQDD-INIZCTEOSA-N 444.586 2.156 30 10 IEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722486586 AKAIPYHEMODGCW-SFHVURJKSA-N 448.365 2.313 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722535251 CQDZWTRWFQIVLA-QHCPKHFHSA-N 444.580 2.418 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722587984 HHFZCNWPOBPOLO-MOPGFXCFSA-N 441.532 2.344 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](F)COC)C1 1722719717 YUWIGEOJSGQTBR-MOPGFXCFSA-N 445.543 2.218 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CC(F)(F)C1 1723617191 KOBVJLXSGPCSQJ-UHFFFAOYSA-N 444.490 2.055 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1726821414 CSQCITALXZAKGC-UPCLLVRISA-N 447.543 2.270 30 10 IEEE CCN(CC)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1728419810 SBQVKHYGKNUWQK-FQEVSTJZSA-N 438.580 2.107 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCOCC(F)F)cn1 1729573821 YGRCBUQAQPEWPZ-GOSISDBHSA-N 443.458 2.410 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Br)n2CCn2cncn2)C1 1731179480 CLEWYQPYWVORII-KRWDZBQOSA-N 431.273 2.441 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNC(=O)c1cc[nH]n1 1740669190 QMKYPBRAHIKXBM-UHFFFAOYSA-N 430.472 2.213 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2c[nH]nc2C)CC1 1740692981 RJQJVBFSQDWYNS-UHFFFAOYSA-N 449.559 2.382 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1740964448 BZFZEHCEDIPCRT-LJQANCHMSA-N 445.486 2.401 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)C1 1740980790 MTCVXQDSFZIAKN-ZWKOTPCHSA-N 438.594 2.047 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ncccc1N(C)C 1741371571 FAVNZYMAUCEUPI-QGZVFWFLSA-N 446.563 2.288 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1741800289 RKXCMDHCTWTKIT-HZPDHXFCSA-N 430.509 2.187 30 10 IEEE Cn1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCCCO)c2ccccc2c1=O 1748067982 QRNJMKWZCCIQJV-UHFFFAOYSA-N 435.532 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)c1ccccc1 1748638839 XMVYPIPHKXVCIX-MRXNPFEDSA-N 431.562 2.128 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1748639936 NXLKCGCIEQNOCF-LZLYRXPVSA-N 445.589 2.475 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748811148 CHEMBWIVPWAWBI-ICSRJNTNSA-N 447.605 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCC1 1748845883 BOFKUYAXQWFGIV-UHFFFAOYSA-N 427.549 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)nn1C 1748890507 PFOXAQBXCUKWGM-UHFFFAOYSA-N 443.559 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1cccc(OC)c1 1748901009 OWPOYBTVVZCAHM-LJQANCHMSA-N 435.528 2.340 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748962143 ASPXQFSWHLNIDW-WOJBJXKFSA-N 449.621 2.226 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccccc2F)CC1 1748972565 LJGPOUJKDYFLMM-UHFFFAOYSA-N 447.518 2.453 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nc(C)c(C)s2)CC1 1748976805 AQGATOPOUPUXBF-QGZVFWFLSA-N 432.594 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC[C@@H](C)C2)CC1 1749004916 QATPHOZEPUJHBX-QYZOEREBSA-N 431.581 2.404 30 10 IEEE C=CCCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1749407988 CKGPNOWBHURMLG-JOCHJYFZSA-N 427.553 2.403 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCS1 1752318225 GNBRENMSMFRXJA-MRXNPFEDSA-N 426.546 2.007 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1760124030 NQKHVUWYOMRWAV-MRXNPFEDSA-N 432.546 2.291 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1760147017 DPJALFYBNSDJQN-HXUWFJFHSA-N 445.589 2.470 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1760190917 WOTHTPRANZUVOJ-OAHLLOKOSA-N 444.529 2.186 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760275659 DIAGVDOOBWVBBF-FQEVSTJZSA-N 436.585 2.342 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760414755 BRSVADDCEFDVSV-GOSISDBHSA-N 427.553 2.105 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCSCC1 1760505269 PTHYXXZHWRPPNK-HXUWFJFHSA-N 445.589 2.478 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1761251896 JCQGMLIVXMSYJP-WMZHIEFXSA-N 438.532 2.116 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1761545086 PWEFSGDIQUVNSI-IUKKYPGJSA-N 440.523 2.395 30 10 IEEE C[C@]1(N2CCOCC2)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1761573004 COHXVSXDRZZZTA-QFIPXVFZSA-N 446.502 2.399 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1763201117 GVGDRGKMXJXYNM-DLBZAZTESA-N 428.587 2.380 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCCN1CCC[C@H]1CO 1768659599 FXAMKWVNFYNEHK-NRFANRHFSA-N 446.559 2.480 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)C[C@@H]1C 1769499629 GIIWWZJWBKXFMB-KRWDZBQOSA-N 442.520 2.431 30 10 IEEE COCCN(C)CCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1771077663 YALNTJJJXQNUAZ-IRLDBZIGSA-N 448.575 2.390 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCn1ccnc1C 1771295241 JLAFXKWWGVXMCZ-WFXMLNOXSA-N 431.516 2.429 30 10 IEEE COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCC(C#N)CC3)Oc3ccccc32)cc1 1851602262 ULBHKDFPJYMISH-NRFANRHFSA-N 441.509 2.414 30 10 IEEE COCC(=O)N1CC(OC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)C1 1852638464 DBMOOJSWTVFRQF-OAQYLSRUSA-N 433.464 2.046 30 10 IEEE C=CCN1C[C@H](C(=O)OCc2c(Br)c(=O)n(-c3ccccc3)n2C)CC1=O 1852651562 OVTSJBUKNYXAFT-CYBMUJFWSA-N 434.290 2.016 30 10 IEEE C[C@@H](Oc1ccccc1)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1855986887 HKTNNQJJZZQTAH-OAHLLOKOSA-N 427.482 2.104 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4ccc(Cl)cc4C3)CCC2=O)CC1=O 1856538751 OXADNGXZTPPRKV-QFBILLFUSA-N 429.948 2.498 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1 1858626902 JSLMNTKNXQLMAA-UHFFFAOYSA-N 427.486 2.055 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)Cc1csc(COc2ccccc2)n1 1866594610 KEQQEIMWROCFQA-LJQANCHMSA-N 436.493 2.252 30 10 IEEE CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(C#N)cc1 1866637975 IUQIRNHFJXIEEA-SFHVURJKSA-N 428.514 2.264 30 10 IEEE CCCC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1cccc(C#N)c1 1867236652 DUJNTVRHRPGEGD-IBGZPJMESA-N 428.514 2.441 30 10 IEEE Cc1ccc([C@@H](C#N)NC(=O)C(C)(C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867602439 VGMJLRJXLSIEQH-GOSISDBHSA-N 428.514 2.256 30 10 IEEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868774710 OKYPMFGJJZJXNB-SJLPKXTDSA-N 432.590 2.150 30 10 IEEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1870150050 WZYLAEZHCKXKKM-MRXNPFEDSA-N 426.440 2.002 30 10 IEEE C=CCn1cc(OCCO)c(=O)cc1CNc1ccc(C(=O)NCCN(CC)CC)cc1 1870789560 FRLRENLAJPUOMY-UHFFFAOYSA-N 442.560 2.089 30 10 IEEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1871004419 DPLASMPVGJHXKV-UHFFFAOYSA-N 440.500 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060636302 WNMQSAJIICZOKS-IRXDYDNUSA-N 432.326 2.295 30 10 IEEE COC1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2124534796 JNEWUFHOABHZBF-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c1 2174779353 ICMZGUXYDAUEJI-SFHVURJKSA-N 433.461 2.013 30 10 IEEE C#CCN(CCO)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229097381 BXCOFKOIJPQBTG-MRXNPFEDSA-N 425.323 2.339 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)C1 2247559860 QDKQQTUOIZHVRT-XXUFKVEXSA-N 437.537 2.044 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2255523009 BBNNCLPAAXZPPA-CQSZACIVSA-N 436.289 2.406 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 2255623310 LNZVRZJOPUKJTI-KGLIPLIRSA-N 436.362 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628161 DPUXREQTNPAQPN-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629255 SRXWRYFKPNIGLC-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255631476 ZKOSGOHFKBERRY-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE Cc1nc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2255682818 MNZAPVUVTBKIFI-ASSNKEHSSA-N 449.382 2.490 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267000266 VRSPAAGMNFNVBK-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2267008462 HCGUFXFBVGLNAF-MRXNPFEDSA-N 435.337 2.455 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(Cc2ccccc2)C1 2267490761 SYZBXPSVLCDSCG-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267491404 CPLZMUWDIFZJPM-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505876 OXNXBRIKRYTICJ-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE Cn1ncc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267509792 ARROXLGBRAQTPA-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2267538979 XQGDJBFHQJJWSV-HNNXBMFYSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC2CN(C(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)CC1 2267563690 PNMXESVLAHRZSZ-ROUUACIJSA-N 449.401 2.480 30 10 IEEE C[C@H](NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268652349 GEHIYHBVBKOQII-DAYGRLMNSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@@H](N)C#Cc2ccc(Br)cc2)C1 2278809181 JTBGEJPKLKTFKR-JKSUJKDBSA-N 443.363 2.162 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)S(=O)(=O)C2CC3(C2)OCCO3)s1 2295339447 JBEHQWRLMJIKLQ-UHFFFAOYSA-N 443.396 2.023 30 10 IEEE COc1cc(C=NN=c2ccc3nnc(C)n3[nH]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2328809260 SARLJRYJKRNZOY-UHFFFAOYSA-N 447.411 2.437 30 10 IEEE CCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCCCO)cc1OCC 2330785663 IZSGYAVRBMGHAO-UHFFFAOYSA-N 435.550 2.458 30 10 IEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Cl)ccc1O 2330798783 VCZFYUWGRQJRTC-UHFFFAOYSA-N 425.898 2.201 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)n1C 2337404784 IECCEVRQIWJGLX-DEOSSOPVSA-N 438.381 2.422 30 10 IEEE COc1nc(N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787413 ZWACFMAYMSUWMG-HNNXBMFYSA-N 449.357 2.119 30 10 IEEE C=CCN1C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc21 12232644 UUSYNVPKIOTSPM-AWEZNQCLSA-N 429.498 2.489 30 10 IEEE C[C@H](CN(C)S(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 42459557 DWFXKVQRCIDDRW-SSDOTTSWSA-N 429.134 2.215 30 10 IEEE CCOc1c(Br)cc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1OC 103604770 WPMJTOORCCIACI-OWHAOFTHSA-N 430.280 2.253 30 10 IEEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)c1 106451365 XQYXANHVZBFSPN-SADKCHQCSA-N 437.496 2.234 30 10 IEEE C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409612770 NKYQPLRDQXAWSN-LBPRGKRZSA-N 431.294 2.351 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 428381152 MNASLBBYJJDSCY-OAHLLOKOSA-N 427.404 2.425 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1C1CC1 443547266 BHKYXHXSOGGAEW-UHFFFAOYSA-N 448.523 2.475 30 10 IEEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446629917 WVLVEIWGGRDGGA-JWHDQAAXSA-N 430.505 2.395 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C[C@H](CC#N)c4ccccc4)CC3)C2=O)n(C)n1 476653370 DITBANXLSBMGJN-VXKWHMMOSA-N 448.571 2.456 30 10 IEEE Cc1nc2[nH]c(S(=O)(=O)CC(=O)Nc3ccc(C#N)cc3)nc2cc1Br 480010635 HLUMFJPCUQKTTC-UHFFFAOYSA-N 434.275 2.313 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 487360692 FNSALPGPVZTVGB-QFIPXVFZSA-N 445.523 2.263 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 488697581 HUGNJCFWCNJMHS-UHFFFAOYSA-N 425.507 2.004 30 10 IEEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CC(C)C)c3=O)cc2s1 491818702 OPCLSBSTIFIUQX-UHFFFAOYSA-N 438.578 2.266 30 10 IEEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4ccc(F)c(F)c4F)CC3)n2c1 505608269 KSERIDUQUQRXEN-UHFFFAOYSA-N 435.431 2.130 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 508887430 ITXFLPYHGNGDPC-UHFFFAOYSA-N 441.513 2.090 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 511086140 NRWVFNSLFINXHH-UHFFFAOYSA-N 449.495 2.307 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(C)cc2)nc1C 526835928 ZQFPRZNIGWIMEP-LJAQVGFWSA-N 435.527 2.429 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCN=c3cc[nH]cc3)cc2F)c1 534526978 QVACACHJYBDEOB-UHFFFAOYSA-N 433.443 2.260 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 549302645 GPRBMHINKNOTIN-UHFFFAOYSA-N 432.550 2.295 30 10 IEEE CC(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(C#N)n2)CC1 557010432 YAHXZLIXKPFPFE-UHFFFAOYSA-N 431.504 2.175 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCCCO1 567480799 AZEZZNYYSMQWRN-IBGZPJMESA-N 432.532 2.446 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc1 580780737 CCKAKTJSFCWLKM-AWEZNQCLSA-N 426.281 2.393 30 10 IEEE O=C(CCCN1C(=O)c2ccc(C(=O)/C=C/c3ccco3)cc2C1=O)NC1CCNCC1 585831007 MHUNOMYOUQSNAX-SOFGYWHQSA-N 435.480 2.420 30 10 IEEE COc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1OC 586080512 FDNPSXLUUAMSCQ-KRWDZBQOSA-N 429.498 2.159 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 588152506 WTJSZJCWDGMDKT-QAPCUYQASA-N 426.538 2.216 30 10 IEEE N#Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](S(=O)(=O)Nc4ccccc4)C3)C2=O)cc1 611613349 QCDAJZKAORIMTM-VQTJNVASSA-N 438.509 2.096 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 734668242 CSUJHKLVUUGXCQ-DNZUHHBVSA-N 437.422 2.110 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn(CCC)c3)c2=O)c1 735068952 NIHBVQYRTYGQAR-UHFFFAOYSA-N 430.533 2.215 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 742091177 PEHDIJADNSHRAM-KUHUBIRLSA-N 445.589 2.382 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 748408746 ZWUQQJVIHNDPKY-INIZCTEOSA-N 432.523 2.301 30 10 IEEE COC(=O)[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1)c1cccc(C#N)c1 751643771 SYBUYVIRHLCJES-FQEVSTJZSA-N 430.482 2.253 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(CC)cc2)C1 760304745 LLHMVYLGVZFRJW-SJORKVTESA-N 431.562 2.120 30 10 IEEE C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760550283 GLSGAZKQZYJDRN-NRFANRHFSA-N 442.882 2.292 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCc2ccco2)C1=O 763467999 YHLSKRSLXPHGMC-IBGZPJMESA-N 439.541 2.393 30 10 IEEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 779735022 GKIPNZLXVNKDAW-HSZRJFAPSA-N 444.532 2.182 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 781649417 OXFZNHPDMVFNRW-OAHLLOKOSA-N 443.594 2.370 30 10 IEEE Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCCC1 790380533 WJJRBTSCKAZDQX-MRXNPFEDSA-N 437.566 2.428 30 10 IEEE COCCCn1cc(C(=O)c2cc(OC)ccc2OCc2ncccn2)cc(C#N)c1=O 790490542 OXOGMHOULFXHJF-UHFFFAOYSA-N 434.452 2.365 30 10 IEEE C=CC[C@]1(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C 790650354 NWVSMBCIHMXFQH-JOCHJYFZSA-N 447.536 2.026 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 795043094 OHQJXQJXMFOPKU-PWIZWCRZSA-N 428.533 2.414 30 10 IEEE C[C@@H](NC(=O)CNC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(F)cc1 803922338 ITAOACXSNVJBET-CQSZACIVSA-N 441.434 2.405 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 804458581 FRGHRMSIRSRZHM-SBHAEUEKSA-N 446.956 2.215 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 812178347 DOQYPAMQUFSKSU-MRXNPFEDSA-N 436.557 2.123 30 10 IEEE COc1cc(OC)c2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)[nH]c2c1OC 916776045 PAZUUYNPTOKNBV-UHFFFAOYSA-N 429.454 2.325 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)c1 917895283 IOAMMYLNWKDOGS-HXUWFJFHSA-N 443.525 2.403 30 10 IEEE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)cc1S(=O)(=O)NCC#N 1136918571 BSOHISHNIXXAKU-PMACEKPBSA-N 439.537 2.452 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2NC(=O)OC(C)(C)C)n1 1156618778 TVJRHMYLZZZDTH-XEYPJELSSA-N 430.549 2.431 30 10 IEEE COc1ccc([C@@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 1180946277 BDSZLCOPPSXPTJ-CQSZACIVSA-N 431.514 2.400 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@]2(COC)CCCCN2C(=O)OC(C)(C)C)c1C#N 1182253003 ONRCTWJDUQKYFE-OAQYLSRUSA-N 434.541 2.178 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCn1nnc(Cc2ccccc2Br)n1 1189087078 XUZNMTUICLHTHO-UHFFFAOYSA-N 436.269 2.326 30 10 IEEE COC(=O)c1ccc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nc1 1219690216 BTDRQDGWOWYACU-UHFFFAOYSA-N 431.456 2.484 30 10 IEEE C#C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 1225849200 YOSOSZRHBGUJLY-ROUUACIJSA-N 435.366 2.365 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2ccc(COc3ccc(F)cc3)cc2)c(=O)nc1O 1230384171 GCVOJWQRIUARGL-UHFFFAOYSA-N 437.431 2.038 30 10 IEEE N#C[C@]12CN(C(=O)NCC3(c4ccc(Br)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1248467409 HMXRROPFDIHEIS-KBXCAEBGSA-N 438.347 2.060 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1286287427 NQQIVXIJOOMNMK-FQEVSTJZSA-N 430.560 2.405 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC(=O)NCC(F)(F)F 1286304717 IRQZBWJAKOYBFJ-CQSZACIVSA-N 439.438 2.392 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286319242 XYPDJRYLKPSHLL-OXQOHEQNSA-N 425.599 2.333 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286356894 OKHSZFWOXCICRM-UHFFFAOYSA-N 445.589 2.405 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C)C(C)(C)C1 1286403882 MXLOONNDIVEHPD-UHFFFAOYSA-N 425.968 2.092 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SCC)c1 1286430966 LMLLJXSTGRPWQH-GOSISDBHSA-N 443.598 2.198 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286443256 DCWDRLSGYGRSBL-BQFCYCMXSA-N 430.553 2.363 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)C(=O)NC)CC1 1286470645 ATOOQYWLFCHHDE-KRWDZBQOSA-N 442.539 2.085 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1286508630 JRXRGGBRWXKJSA-INIZCTEOSA-N 433.607 2.025 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286609306 HZBYYVMJXJZKEQ-NRFANRHFSA-N 426.565 2.158 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1286788375 VLGPSWYBDONGSR-NRFANRHFSA-N 449.559 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(c2nccs2)CC1 1286823987 SMTKNGOKZIZGIZ-UHFFFAOYSA-N 425.580 2.256 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1286888758 DOZJQCGLZYTHJG-INIZCTEOSA-N 429.956 2.358 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1286970689 DLKVCQAZLRIMJV-XDNAFOTISA-N 448.568 2.486 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1286971592 KCTKDDLEKAKDHZ-HBLJDGLJSA-N 448.568 2.185 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC[S@](=O)C(C)(C)C)CCOC1 1288304466 FLFRQDCQNGFNLO-KVJLEPHUSA-N 441.573 2.308 30 10 IEEE N#Cc1c(NC(=O)c2cc(Br)nc(Br)c2)nc2n1CCOC2 1289683316 ISYNIIBJYWOIEZ-UHFFFAOYSA-N 427.056 2.457 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1291229841 PNJBNBHBXHNJLU-PLGXQAJASA-N 439.545 2.197 30 10 IEEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C(F)(F)c2ccccc2C#N)c1 1294406526 KKRSDTGALXEYGG-UHFFFAOYSA-N 428.399 2.302 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)COc3cccc(C#N)c3)CC2)C1 1300374064 GJWHAYGAQHKKCX-KRWDZBQOSA-N 427.501 2.118 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495970 LYDGNSBGIKTDJR-UYAOXDASSA-N 444.557 2.203 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1300606536 NGGYOFWQFMIJQW-SFHVURJKSA-N 432.546 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCC2)CC1 1300733453 VXJLMKAFAHBEBN-RTBURBONSA-N 443.592 2.078 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC2CC2)CC1 1300830009 CFIDBURDOYPPLK-OAHLLOKOSA-N 428.375 2.443 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1301384203 RKGYPDNHJKNUPX-GOSISDBHSA-N 447.543 2.285 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C 1301519571 PLUBWOFGEJLXOW-UHFFFAOYSA-N 444.555 2.348 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1301624360 VIAIYUPTUXEOJU-WMZOPIPTSA-N 435.594 2.028 30 10 IEEE CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1302022142 LUVVRMAXMOGYKE-NRFANRHFSA-N 446.577 2.007 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1302273626 UHFBDVAQQLIBSD-UHFFFAOYSA-N 442.520 2.480 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)c1 1303384942 OZFATQPLXOLBOJ-YCRPNKLZSA-N 431.510 2.353 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC[C@]3(CCOC3)O2)CCOC1 1303475975 IBPHGYAZTRPEMO-MCEIDBOGSA-N 433.553 2.395 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1303640509 LONZAKIDQQGIGK-PMPSAXMXSA-N 430.475 2.174 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@@H]1C 1313941374 BWXPSBWNSIXSPD-RXVVDRJESA-N 440.548 2.065 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)C)CC1 1313995845 HCTSFHYOWBXVJR-LJQANCHMSA-N 425.537 2.339 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCCC1 1358880838 UKUGTLLXANJUTJ-GHTZIAJQSA-N 433.564 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCCCS2(=O)=O)c1 1358901174 BIDFETHDPCRQII-LJQANCHMSA-N 443.573 2.425 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358959446 JCGYOWZCSDQBMP-GOSISDBHSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358959526 KYUSBRGMPGENND-MSOLQXFVSA-N 442.541 2.273 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1nc2cccc(Cl)c2n1C 1358981306 DWJGYHOLAYOPFX-UHFFFAOYSA-N 435.919 2.062 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CC)OC 1358987859 VJWWNPYPOPFMKS-LJQANCHMSA-N 443.573 2.083 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCCCC1 1359026774 KFFWRMMCHGXZPT-UHFFFAOYSA-N 427.597 2.490 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCCCC2)CC1 1359037719 UUVGIACHBUDVML-UHFFFAOYSA-N 426.590 2.088 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359056661 JIYSXIBKVGXNHF-MRXNPFEDSA-N 445.549 2.485 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1OC)C1CC1 1359252927 LRUSPDGRYQQOJZ-WBVHZDCISA-N 431.562 2.476 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)C1 1359417578 ABNMNNNWFAXDMI-LJQANCHMSA-N 438.923 2.472 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1360603518 IBEMZAZGVQCDRK-IRXDYDNUSA-N 430.940 2.296 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)c1ccccc1 1437071352 KOTTWHZCMHXEJY-HXUWFJFHSA-N 440.521 2.365 30 10 IEEE C#C[C@@H](C)NC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1448156408 NHGZTEZUSDJKPV-SECBINFHSA-N 444.273 2.100 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 1452142961 FCEYBBDAWOYNAZ-OAHLLOKOSA-N 435.546 2.195 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cccs1)C1(CO)CCC1 1452428335 HRPZYHDGOKFUSI-RDTXWAMCSA-N 433.555 2.307 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnn2c1CCCC2 1456260323 GFFBNRCZBSKYIX-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)c1cnn(C)c1 1456737468 YRGOGVPQUGSYCX-MRXNPFEDSA-N 430.534 2.428 30 10 IEEE C=CC[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1460522115 MBXYBTHAKDARFS-HNNXBMFYSA-N 427.954 2.197 30 10 IEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1 1461056715 FNZGOGHCTAETML-UHFFFAOYSA-N 439.541 2.334 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1468372717 IQOQZJAUUCXBKY-GOSISDBHSA-N 449.916 2.441 30 10 IEEE C#CC[C@H](COC)NC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1468705783 FPMHGWRVWKEMOO-LJQANCHMSA-N 426.517 2.279 30 10 IEEE C#CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCCC1 1471318554 BOOCOYZQNQPLGI-GOSISDBHSA-N 441.594 2.388 30 10 IEEE O=S1(=O)CCC(O)(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1473848312 MEVIODUUJCUCKY-RKDXNWHRSA-N 431.345 2.029 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1496299107 ABNRTCRLLZFYKL-PPULILFRSA-N 432.569 2.437 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1504997935 GTZNNKOGUUYPNA-GUDVDZBRSA-N 434.585 2.241 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCC[C@@H](O)C2)c1 1507552873 VCIOLIUHSFGVGX-UYAOXDASSA-N 425.533 2.422 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507608811 LSVVNDFRIVTFRS-UHFFFAOYSA-N 444.948 2.362 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2cc(C)on2)n1 1507717623 XALFIGFITKDURW-UHFFFAOYSA-N 432.488 2.168 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2)CC1 1507721204 ZOYWEATZVGHAQC-DEOSSOPVSA-N 439.560 2.131 30 10 IEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCSCCCO)CC1 1507726155 GEBMLGBYNFNXCM-UHFFFAOYSA-N 438.601 2.152 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507727743 LZXUBRCWCIODFP-GHTZIAJQSA-N 428.606 2.450 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CC1 1507902954 QOFOZCOJBGZUGS-KRWDZBQOSA-N 435.594 2.032 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(N)=O)C1 1508076029 RLLPLKDMBSATME-GJZGRUSLSA-N 446.939 2.075 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1508082722 WOAWHMQAMSZQME-OAQYLSRUSA-N 431.544 2.353 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508389820 OCPYYQKVCCJTER-QHCPKHFHSA-N 438.532 2.117 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCSCC2)CCOC1 1509803743 JZASSUGEBYFFCY-OAQYLSRUSA-N 434.610 2.107 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)OC 1514337547 HFKKYCGMYQDXEP-SXLOBPIMSA-N 438.532 2.259 30 10 IEEE Cn1cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(I)n1 1515219441 JKTDCNXCOSOPLP-UHFFFAOYSA-N 436.188 2.473 30 10 IEEE COc1cc(F)cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1518027746 KTKBCMBEAVBMJP-KNQAVFIVSA-N 445.495 2.243 30 10 IEEE COCCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1519090715 JVRZFMNAHOMAGT-JOCHJYFZSA-N 448.527 2.456 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCOCc2ccccc2)CCO1 1521138106 YIZLZCLDLWSVSD-HXUWFJFHSA-N 438.532 2.126 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3)CC2=O)cc1 1531526452 ARYNKMOHHDZADD-KRWDZBQOSA-N 443.467 2.148 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2C(=O)Nc3c(F)cccc32)c1 1535252460 CJCIUBPZNPCQCS-IBGZPJMESA-N 435.455 2.125 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F 1539324254 RZAQXSJPENMCBH-QGZVFWFLSA-N 432.496 2.164 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCOC[C@H]2C)n1 1539424138 LXTUUFMGLPDAOQ-TZIWHRDSSA-N 449.559 2.495 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 1539491181 NBGBCLYWBCHHAE-UHFFFAOYSA-N 430.553 2.248 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OCC)CCOC1 1539639966 DFSPKIZFIJQRPL-FHJLPGHOSA-N 449.596 2.262 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1540195584 CPNCOHCUPYNVOV-MRXNPFEDSA-N 437.541 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1540907277 QOIKSESROUMDBZ-NRFANRHFSA-N 431.537 2.496 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1540913767 SDECYGXRPBHROA-UHFFFAOYSA-N 428.541 2.459 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C1 1541053897 HYBMWUFNEOOSIT-LJQANCHMSA-N 432.532 2.260 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@]3(CCOC3)O2)CCOC1 1541104965 CSQCWUUYLIZGIH-OSZJIOELSA-N 433.553 2.253 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)cc1C 1542482966 HQRMQXWFJVMKAA-LJQANCHMSA-N 440.504 2.045 30 10 IEEE C[C@H]1N(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1545139398 PAYIANXAFMPIAK-UDJKBAMHSA-N 428.537 2.466 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1547319792 BSENIYVPWIYSLL-LJQANCHMSA-N 440.548 2.458 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1547814285 VSLHOBIPMXBXQQ-LJQANCHMSA-N 439.520 2.058 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1554517448 MYIIDBKCDUNWBG-WOJBJXKFSA-N 439.516 2.402 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1555620882 VXJJCFOELKJDMN-KTBSYUBASA-N 446.552 2.011 30 10 IEEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1555720385 TXOYWUCSSUTJBK-CYBMUJFWSA-N 425.331 2.447 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1555989591 BQLVYGYGAGCQIE-IBGZPJMESA-N 447.518 2.487 30 10 IEEE C[C@H]1CN(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)C[C@H](C)O1 1556447131 BKIKQDYSAKDITJ-KBPBESRZSA-N 432.477 2.384 30 10 IEEE Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)cc1B1OC(C)(C)C(C)(C)O1 1556564845 APEJOKOJUWVERP-QGZVFWFLSA-N 440.353 2.319 30 10 IEEE C#C[C@@](C)(CC)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1556664463 PAIAGGNIEVESID-KRWDZBQOSA-N 429.336 2.002 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 1558759316 ZWKDYYRWPDKBJV-CQGGRAHPSA-N 428.599 2.106 30 10 IEEE CN(CCC#N)C(=O)CCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1560146587 QWLHQQCEJSSWGF-BGYRXZFFSA-N 433.597 2.297 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 1566358748 LPYXOYCJOUBLRJ-GGAORHGYSA-N 440.565 2.096 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1587898267 MKIOPPMOIGMIOF-LJQANCHMSA-N 447.536 2.193 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1c[nH]nc1C 1588006528 MPKLTAQARNGJRV-UHFFFAOYSA-N 446.603 2.377 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-n1nc(C)cc1C 1588574728 QNCGJWPJLVBOOG-UHFFFAOYSA-N 449.559 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1588898920 HSQPBAMYQNLNGB-LPHOPBHVSA-N 425.533 2.485 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1589403710 CDAHWMLPATZAFY-JKSUJKDBSA-N 437.342 2.183 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1593769518 OYVIUVMIJPJXNL-QFBILLFUSA-N 429.496 2.304 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1594645708 OVDVPRBBTDVCRY-UHFFFAOYSA-N 437.548 2.114 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1595658580 HDYLWZPGJWPNEZ-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1611765064 DLENNMXYCDIOSE-XOBRGWDASA-N 442.911 2.112 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1613791992 SPRAWLSFLLVSFW-BKBKCADHSA-N 436.516 2.259 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCCOC)CC1 1615093473 MUCCYRUMCQUVSN-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCC(=O)NC(C)C)C[C@H]1C)C2=O 1615243845 SBIPVEHPOCEBNW-WSVYEEACSA-N 436.892 2.278 30 10 IEEE CN(C)CC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617683289 LTQPETSSDDWQJB-UHFFFAOYSA-N 446.559 2.387 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)s1 1617698953 YOLJWZDJHOHBAX-INIZCTEOSA-N 433.555 2.373 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 1623494150 BLTPABCODMRUTI-FQEVSTJZSA-N 444.463 2.285 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)c2)c1 1623807173 VDVVYGCFZBVHJM-UHFFFAOYSA-N 427.424 2.133 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)c1nc(O)c(C#N)cc1C 1624203808 SBUCLOKDYKCGMH-LBPRGKRZSA-N 434.290 2.319 30 10 IEEE C#CC[C@]1(C(=O)NC[C@H](Cc2ccncc2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1627293841 SYCSEORCTARQSV-FDDCHVKYSA-N 429.517 2.323 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC 1632067111 JWQHCSQYYMCVFR-BFUOFWGJSA-N 429.901 2.333 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1632927017 URVCGMFZSQCTND-HNNXBMFYSA-N 447.377 2.455 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nscc2I)[C@H](C#N)C1 1633662014 CXRLIDOKNYOXRC-PSASIEDQSA-N 448.286 2.237 30 10 IEEE N#Cc1ccc(F)c(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)c1 1634439302 BTQQRWHHISHUGN-UHFFFAOYSA-N 437.518 2.082 30 10 IEEE Cn1nccc1[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1635630030 KRXCOXFCWGFOOW-HXUWFJFHSA-N 427.530 2.056 30 10 IEEE N#Cc1cn(CC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c(=O)nc1O 1639104130 MEKPSVFYVNMKKO-GFCCVEGCSA-N 445.195 2.393 30 10 IEEE COC1(OC)CCOC[C@H]1NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1640954594 SDMMMWWLBVEVPH-RTBURBONSA-N 445.516 2.287 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)Nc2cccc(I)c2)CC1 1643110732 VIPMORMVHDKHMF-UHFFFAOYSA-N 427.242 2.008 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1643543314 NJCXILSVGUDZLE-HNNXBMFYSA-N 432.498 2.316 30 10 IEEE CCc1ccc(C#CC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1652675868 SUGNCQCOOYGCCH-IBGZPJMESA-N 426.513 2.469 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCc2ccc(OC(F)(F)F)cc2)c1=O 1652998351 OMOXZMZMJIQHSK-UHFFFAOYSA-N 439.390 2.365 30 10 IEEE CCCCN(C(=O)CN(C)Cc1cc(C#N)cs1)c1c(O)nc(=O)n(CC(C)C)c1N 1655726100 ANPRLYVIAOMOEP-UHFFFAOYSA-N 446.577 2.385 30 10 IEEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(C(F)(F)F)c1 1660037394 DYMZUBHRFHZWFH-PKOBYXMFSA-N 440.466 2.201 30 10 IEEE Cc1cc(F)c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(F)c1 1676309111 PWFWGHLVWBUVAH-UHFFFAOYSA-N 434.468 2.361 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC(=O)N2CCCCc3ccccc32)C1 1679945015 RYRVTOQNIYDXOB-MSOLQXFVSA-N 441.532 2.414 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1684226320 MEARFRSXABZJNZ-RPBOFIJWSA-N 446.599 2.222 30 10 IEEE C#CCN(C(=O)NC[C@@H](n1cncn1)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1687314031 VXUOIKRMRYQELB-OAHLLOKOSA-N 444.458 2.426 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1689893174 WDVOKDYODAYXTA-AUSIDOKSSA-N 442.585 2.390 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(CC)CC 1689965950 HPVRWHZHDQTLHL-PMACEKPBSA-N 429.590 2.333 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCC 1690019294 FKJWRKNUWKVRQY-JPYJTQIMSA-N 445.564 2.210 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1cc(CO)nn1 1690061263 UOMAZNIOSZAUTH-UHFFFAOYSA-N 430.516 2.435 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(CC)CC)nc2)CC1 1690119708 PEMRGVIEOTXWQU-UHFFFAOYSA-N 430.560 2.385 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOCC)CCCC2)CC1 1690131108 UGJUZQJHUCCFTP-UHFFFAOYSA-N 442.608 2.143 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690319093 CMMWCQYWKPWGKF-IBGZPJMESA-N 440.548 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690724686 UKTJPWPXAXRSOA-LAUBAEHRSA-N 440.610 2.414 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)C1 1695975531 HXGLPRPVXBFKHK-OALUTQOASA-N 442.520 2.193 30 10 IEEE CCOc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1OC 1696122080 NGHJYRNVYVBBSW-MRCUWXFGSA-N 440.504 2.157 30 10 IEEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1705527503 ZQWNDNRQMYIGRY-RDJZCZTQSA-N 427.574 2.496 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cccc(Cl)c2n1C 1705596388 CFXOGNTWKIKBFX-QGZVFWFLSA-N 435.919 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@H]1C 1705598392 IOSRELSOIHRDCI-RTWAWAEBSA-N 445.633 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(N(CC)CC)nc2)CC1 1705637502 ADWGNQSUQIRBQI-UHFFFAOYSA-N 432.576 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC2CC(OCC)C2)CC1 1705652622 HDPJZYRFMMOEJR-LYBXBRPPSA-N 429.565 2.301 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705662456 ZGAIUJZXNPSDCW-SJORKVTESA-N 435.594 2.499 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)CC1 1705769433 SDJISJZXVVSJBV-HNNXBMFYSA-N 437.953 2.464 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1705840861 FLKMQIHCBZJFRM-QMHKHESXSA-N 438.532 2.227 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1705886073 QCGKJSUUTWQSLH-RCCFBDPRSA-N 440.610 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705896818 ZBYAPWPRIOXYSK-DNVCBOLYSA-N 429.521 2.126 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(CC)C1 1705930107 FPRQHQMBOTZBNR-FQEVSTJZSA-N 432.550 2.153 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1706212998 CKJCAKCFDMMPMT-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1706611087 DPGGLVOODXHZKK-OAQYLSRUSA-N 427.484 2.324 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1706708870 JOJJDYVDEALBSK-UHFFFAOYSA-N 448.531 2.270 30 10 IEEE Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)cs1 1707746212 VXBMWZMHXFACOL-JOCHJYFZSA-N 437.573 2.209 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1708756419 COWUVTFNBUAPNL-GOSISDBHSA-N 430.553 2.132 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1710170807 IYJHITSXPUCIQS-UHFFFAOYSA-N 447.492 2.380 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1712524614 GKKKRBJVRXNLMU-IAGOWNOFSA-N 439.582 2.099 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(C)cn1 1722278282 KQZZRFPMEMCMIE-MRXNPFEDSA-N 440.577 2.210 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1722342660 UPSFWQFSVDDUPO-XMSQKQJNSA-N 443.935 2.269 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1722370222 MERKFLQELVLPDQ-LJQANCHMSA-N 446.573 2.277 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1722381732 AZGLPKVLYWBRRB-DHIUTWEWSA-N 433.556 2.318 30 10 IEEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722551848 FFEZVDWZFXAFND-UHFFFAOYSA-N 448.930 2.335 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1722705022 SCIWSRDEVOHXSV-OALUTQOASA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1 1722727406 OFUPABIKLSXRGR-SFHVURJKSA-N 426.583 2.167 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722861904 DQRKJXODSNPQQP-GJZGRUSLSA-N 436.969 2.476 30 10 IEEE CSCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1731132410 SEKVGGBVZSQSSE-MRXNPFEDSA-N 437.577 2.413 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1740549125 KZFZSDWGMFAAJW-HZPDHXFCSA-N 431.487 2.100 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740623334 RMBFXQVZUOGEEB-IAGOWNOFSA-N 431.587 2.171 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740626702 CCQZIWNMXOOVPI-GVDBMIGSSA-N 438.619 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCCN1CCOCC1 1740658501 BKGUCEIAUZPNRW-UHFFFAOYSA-N 425.508 2.181 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1740683850 GOJYJXINIJINSH-GOSISDBHSA-N 449.559 2.412 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccccc1N1CCOCC1 1740687125 ROXWZTORZKVBJU-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C)C1=O 1740688324 PAPQMZIFHHRUOF-HSZRJFAPSA-N 425.533 2.038 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1740710058 POHQIKRBYMCGFX-UHFFFAOYSA-N 435.985 2.474 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740752714 ZUCGNZFLEHLRBE-VXIBKDFQSA-N 426.521 2.114 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740758314 WDMBUBHPNPQBET-IOAPGESTSA-N 444.580 2.094 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740799222 IJVONLPBWAANCH-LJQANCHMSA-N 432.569 2.449 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1740802985 FKMCPMFGAYKMTD-NSHDSACASA-N 427.734 2.466 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1COCCO1 1740937035 RGGGAJSLSDSGQV-IBGZPJMESA-N 429.521 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1740991172 QAJSQPWTAOHENW-HNNXBMFYSA-N 439.582 2.107 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](COC)C2)c1=O 1746363592 CVYJTWCMKXDXBA-LAUBAEHRSA-N 448.527 2.287 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2nnc(C)s2)c1 1748933724 IMUXGHWLDMHPFR-KRWDZBQOSA-N 425.518 2.475 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1748986885 KVRFEELCZFIWAM-JOCHJYFZSA-N 433.560 2.340 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2c(C)noc2C)CC1 1749001203 LQGFKEOCDNAHAX-PBEJRMEISA-N 442.564 2.166 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1749235511 RXOMOJFIIHHBCJ-HSZRJFAPSA-N 428.533 2.488 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC1 1749259427 LSKWQJBBCNRBTO-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1749299701 VXUDHAOZXRMUBH-UHFFFAOYSA-N 442.545 2.318 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749642443 GFHRLXAOQYKJDZ-SFHVURJKSA-N 442.539 2.315 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CCS1 1750675660 DSKLDOLUCVMBRD-UGKGYDQZSA-N 426.590 2.461 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1760126620 DQGKZSLHIXZDFJ-OKZBNKHCSA-N 434.585 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1CCOCC1 1760221157 LUHHEFOSRUPYTO-UHFFFAOYSA-N 445.571 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cnccc2OC)CC1 1760271645 FHNMADFDEQJHGE-UHFFFAOYSA-N 436.560 2.429 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1760316108 MJQRJXFORJOKBM-KSZLIROESA-N 425.599 2.245 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1760356874 YSPAMKVMVPGERE-LJQANCHMSA-N 444.605 2.248 30 10 IEEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760434775 MEVUYVKJTLZUMT-UHFFFAOYSA-N 436.560 2.401 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1760440760 PPBFDLAEGAVCDI-KRWDZBQOSA-N 435.594 2.128 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760557280 GRSJJKPGICHHMQ-LJQANCHMSA-N 446.573 2.054 30 10 IEEE C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N(C)C 1761414902 XCUKBCSGHPXTSD-WBVHZDCISA-N 429.519 2.274 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC#N 1766698735 BITOWVUHKNWFGJ-INIZCTEOSA-N 429.550 2.227 30 10 IEEE CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1766956301 TUKKYGMYJBMGGT-ZZEZOPTASA-N 437.460 2.368 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNc1nccc(C(F)(F)F)n1 1767841351 GUHBTOHBMDZYCW-MRXNPFEDSA-N 428.394 2.177 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)C[C@H]1OC 1770303895 FHWKKPPXCDBZHR-IZZBFERCSA-N 441.532 2.130 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1771305284 YKVBNBYQLKKYRI-IHPCNDPISA-N 441.532 2.007 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@@H]1c1ccc(C#N)cc1 1849734976 JBLTYOYOFFBPAR-VQTJNVASSA-N 429.542 2.317 30 10 IEEE N#Cc1ccc(OC[C@@H](CS(=O)(=O)c2ccccc2)OCCN2CCOCC2)cc1 1851844992 WPCGCSVWENHHDW-NRFANRHFSA-N 430.526 2.128 30 10 IEEE Cc1c(Br)cncc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852541587 RNMJYPYOBNNXEA-UHFFFAOYSA-N 430.306 2.398 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(CCC)nn2C 1864320441 RZWOLZJGCBECGA-RDTXWAMCSA-N 426.517 2.129 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C)nn2CC(C)C 1865224861 RDODORTZZNXBQP-HXUWFJFHSA-N 438.528 2.310 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccnc(Cl)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004984 SFZWXFMNUOIUAK-AWEZNQCLSA-N 436.925 2.117 30 10 IEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871511569 HKWRMGONINTEMW-UHFFFAOYSA-N 431.928 2.297 30 10 IEEE C=CCN=c1nc(Nc2ccc(OC(F)(F)F)cc2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871573716 MTNQJGNMRJCVHR-UHFFFAOYSA-N 437.426 2.235 30 10 IEEE C=CCn1c(C(=O)N(CC)CCc2ccncc2)cc2c(NCCNC(C)=O)ncnc21 1875230480 BMJYKCZLNCJDLV-UHFFFAOYSA-N 435.532 2.265 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889403947 MDIMHZDNCQYNRK-HZPDHXFCSA-N 425.514 2.350 30 10 IEEE CN(C(=O)C1CCN(C(=O)Nc2cccs2)CC1)C1CN(c2nccnc2C#N)C1 1891578371 KXSUXJNERSBIIR-UHFFFAOYSA-N 425.518 2.001 30 10 IEEE CC(C)[C@@H](C#N)CS(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1982315432 XHAPSQOSIUABHM-AWEZNQCLSA-N 448.586 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2124534401 HVSPTBGJDVSSKR-OAGGEKHMSA-N 444.341 2.217 30 10 IEEE Cc1ccc(CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)cc1C#N 2164486414 GCWKCKLMRYUXNF-NRFANRHFSA-N 429.473 2.311 30 10 IEEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2174789262 ONSYXYZLYMJHDE-RBUKOAKNSA-N 432.546 2.248 30 10 IEEE Cc1cnc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224102593 OZUHZBYCDTUBCY-SJORKVTESA-N 433.358 2.471 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C 2242691079 JLIYMQQMUYKWJQ-HOTGVXAUSA-N 427.542 2.334 30 10 IEEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)cs2)OC1(C)C 2247864136 AWWVCKNYKFUFBJ-UHFFFAOYSA-N 428.363 2.024 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619908 UDVIYNRPYPTFLS-HIFRSBDPSA-N 434.346 2.132 30 10 IEEE CCCN(CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255831391 VECNRHSQTMYBMY-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE Cc1c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001715 OPCIHBADWFKTJS-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267093839 YIQFFOCPWPJNSC-CABCVRRESA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267141572 LAUJDLJARQUVDC-OFQRWUPVSA-N 446.357 2.084 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267175457 MGEIHKLZBMUCQX-GOEBONIOSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267177446 NRMSVKCAMLLBIW-UBHSHLNASA-N 442.243 2.250 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)n1 2267527948 OQUFYGIIMJGEFU-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267598045 VXSVEWAKSGRHSW-MSOLQXFVSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269008042 RJHFLVACPXGORF-OAHLLOKOSA-N 449.332 2.080 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@H]2C2OCCO2)OC1(C)C 2282882230 IRLAHFYZZBSUST-HNNXBMFYSA-N 443.396 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@](NCCC#CBr)(C(=O)O)CC12CCOCC2 2349189649 UYUYIDVDNOFANT-GOSISDBHSA-N 431.327 2.335 30 10 IEEE COc1ccc(Cl)cc1NC(=O)CSc1nnc(N/N=C/c2cccnc2)n1N 20292660 XHDFWKUITIWBMO-ZVBGSRNCSA-N 432.897 2.226 30 10 IEEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1 20527633 ANKXZYCDEIKGGA-WYMPLXKRSA-N 442.524 2.052 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1F 20920819 FSHNEIORQSHRCH-QPSGOUHRSA-N 431.501 2.394 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472647 NLMIRAMAIUGPSL-QFBILLFUSA-N 443.463 2.419 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccco1 102498248 UHOHETUAPRQXIK-LAFOYAEKSA-N 441.440 2.332 30 10 IEEE FC(F)(F)c1cccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 252634635 WPOUPENEHATHKV-UHFFFAOYSA-N 437.426 2.010 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)c(OC)c1 466108406 QRBXSHZOANFXOW-UHFFFAOYSA-N 438.484 2.122 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H]1c1cncn1C 480243661 TWGDIQQPLVVMMG-WIYYLYMNSA-N 446.515 2.260 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@H]1CCCO1 480929383 GXOREYMPUVNMSO-UONOGXRCSA-N 432.567 2.277 30 10 IEEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482506242 ISVHTPNNSJFNHZ-QSFXBCCZSA-N 447.557 2.195 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCNC(=O)c2n[nH]c3ccccc23)cc1 487715785 PJQYWCMBVMOVIF-SFHVURJKSA-N 448.508 2.095 30 10 IEEE CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(c2ccccc2F)C1=O 488255007 YWUADWPIXPCZOL-CTNGQTDRSA-N 449.486 2.245 30 10 IEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 508505948 OPJSYIDFAFZUKW-UHFFFAOYSA-N 435.532 2.420 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)n1 512759609 DTYUIKFLYPFKNA-UHFFFAOYSA-N 443.442 2.383 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 519306132 PPQQVKZNSQBUGH-UHFFFAOYSA-N 447.605 2.259 30 10 IEEE C[C@@H]1Oc2ccccc2N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 522866449 FZRGHNNEXNMPOX-KBXCAEBGSA-N 436.493 2.212 30 10 IEEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(C(N)=O)cc2)c1=O 523252432 LKPDTBOBFNVIDH-UHFFFAOYSA-N 443.528 2.179 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCn2cnc3c(cnn3CCOc3ccccc3)c2=O)c1 534880640 YEGAQLSSCGVBQQ-UHFFFAOYSA-N 449.492 2.018 30 10 IEEE Cc1cccn2c(=O)c(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cnc12 539109371 PHRHAAMLTWJCSF-UHFFFAOYSA-N 427.468 2.005 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 540582134 OOTUJXQORBESSR-LJQANCHMSA-N 425.514 2.423 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)CC1 542726996 ROUSPBRDCUOCPI-UHFFFAOYSA-N 425.537 2.017 30 10 IEEE CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCN(c2cccc(C#N)n2)CC1 546213743 UVEIGFAMPMGXBK-UHFFFAOYSA-N 434.544 2.261 30 10 IEEE COc1cccc([C@@H]2[C@@H](NCC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCN2C2CC2)c1 549476259 CVIZJJFUAMHQLQ-SONWIMMPSA-N 439.604 2.255 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 559003284 HBYPTDJUKQUXDV-PKOBYXMFSA-N 432.546 2.041 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2nccs2)CC1 561228056 MWTZYWFECMMOLJ-CVEARBPZSA-N 444.586 2.017 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 562138479 CKPKCFSWGNZKJE-UHFFFAOYSA-N 435.484 2.447 30 10 IEEE COc1cccc([C@H]2[C@H](NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)CCN2C2CC2)c1 563757657 UGLVUEOAWCLQJM-RTWAWAEBSA-N 437.548 2.424 30 10 IEEE CC(C)n1cc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 609572378 XJFPFXLKRYZRQH-MRXNPFEDSA-N 430.534 2.113 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 610982344 OLQUMLSYOWAHMZ-PBWTXFEYSA-N 439.468 2.002 30 10 IEEE Cc1cccc(NC(=O)[C@H]2CCCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)n1 726585629 HCHLBBWKXSGORK-FQEVSTJZSA-N 446.511 2.334 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(O)cc1 727538364 FSEDRCQDOAFDEV-OAHLLOKOSA-N 425.441 2.009 30 10 IEEE N#C[C@H](C(=O)Cn1ncc2ccccc21)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 730687514 OKWUGHMOHRXEOL-LJQANCHMSA-N 432.440 2.002 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 734923773 UDBAGPUYGMQZLB-TUNNFDKTSA-N 433.464 2.435 30 10 IEEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735345966 ZHRXEBRSNDLPKQ-ZDUSSCGKSA-N 438.889 2.258 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2ccc(F)cc2F)CCOCC1 762213878 NWSXFTOWKKWYLN-UHFFFAOYSA-N 449.479 2.216 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4ccco4)nc4c(C(N)=O)ncn34)CCO2)c1 762300530 SOCIXTFRJHUAFX-IBGZPJMESA-N 442.435 2.174 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2C1 769576797 HTWYKSQVZOLEAP-CZIZESTLSA-N 426.473 2.194 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781659891 BDHXFYPCFIRVLM-UHFFFAOYSA-N 443.569 2.085 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)n1 789148554 ZMWGCMDTBQOKIC-NHCUHLMSSA-N 431.487 2.398 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@H](COc3ccccc3)C2)C1 790487196 SBNUMVCTAXPMHR-YTQUADARSA-N 430.505 2.235 30 10 IEEE Cc1cc(Cn2nnc(C(=O)O[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)c2C)on1 796503978 FXHWSFVVOGEEDT-PCIUKOCSSA-N 428.493 2.407 30 10 IEEE CCOC(=O)N1CCC(S(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 802996271 JEMVQJIEEOVCMT-SFHVURJKSA-N 437.518 2.029 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161475 HYHVLVMXNJFCKK-PBHICJAKSA-N 432.496 2.465 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)c1ccc(F)cc1 812525813 NKSDAHQOHJLBKU-INIZCTEOSA-N 426.491 2.249 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)n1 856587635 QQBOMHJRVLKHAU-QGZVFWFLSA-N 444.435 2.281 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccc3)c2=O)cc1 916193660 HODXYQDFAOPZTD-UHFFFAOYSA-N 431.517 2.033 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc2ccccc2C#N)c(=O)n(-c2ccccc2)n1C 916961402 QCZSPUHOLKXHDM-APWZRJJASA-N 443.463 2.471 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1)C(C)C 1144204251 LQLLDRZEUJBCAH-SFHVURJKSA-N 432.569 2.498 30 10 IEEE C=CCNc1ncc(C(=O)N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)s1 1156985938 APVLRKLIVVOTKI-ZDUSSCGKSA-N 436.534 2.223 30 10 IEEE CN(OCC(F)(F)F)C(=O)CNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1167361421 NGLDECLSWLTBRR-UHFFFAOYSA-N 443.279 2.107 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)Cc2ccccc2OC)ccc1F 1169091789 CELBVXISSWMSDX-OAQYLSRUSA-N 436.505 2.022 30 10 IEEE O=C(CN1CCCS(=O)(=O)C[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 1176532168 JYHRHMXAVFPYAC-GOSISDBHSA-N 428.476 2.072 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@](C)(COC)C3)nnc12 1183508001 JGKPUOQXJVPKEQ-NRFANRHFSA-N 427.530 2.207 30 10 IEEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)C1 1197221686 WIWPHQNSGMBSSV-IAGOWNOFSA-N 433.530 2.137 30 10 IEEE C#CCN(C(=O)Nc1cnc(OC)c(C(N)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1215860568 ROGGHWCLZPVESI-UHFFFAOYSA-N 431.493 2.056 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1286272604 CBTLKTJOMVQUOM-CQSZACIVSA-N 437.504 2.015 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCCC 1286289052 JWLZRLSFUWZJLT-MRXNPFEDSA-N 435.532 2.220 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)NCC(F)(F)F 1286399464 HMKLIVVOGNCCQB-CQSZACIVSA-N 437.397 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OC 1286442717 KDKBTCYWWWLODK-UHFFFAOYSA-N 439.545 2.150 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1286477132 OLDTVCHOSNIQAQ-UHFFFAOYSA-N 446.559 2.221 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ncccc2N(C)C)CC1 1286492958 LDXZZTCDTZHVNV-UHFFFAOYSA-N 437.592 2.342 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286512267 UHIJYUPWUSQDCT-SJORKVTESA-N 445.614 2.499 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286542710 WZFYPLQUGYVSFI-ZACQAIPSSA-N 440.386 2.238 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286550014 YHHWVPUZDYHAHT-CRAIPNDOSA-N 426.359 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1286561964 DFDPRHDHTIVSPD-CTNGQTDRSA-N 439.564 2.097 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1286638053 SWTDXUGTNCRHBC-MSOLQXFVSA-N 448.593 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(COC)CC1 1286778980 CKHPGBUUOAPAQE-UHFFFAOYSA-N 435.326 2.121 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286814771 GIOVKBLMGHJBLO-YZGWKJHDSA-N 446.573 2.416 30 10 IEEE CC(C)(C)n1ncc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1I 1289684753 ZCJCJJYTTZUOHP-UHFFFAOYSA-N 440.245 2.093 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1C 1289743909 UDQNYWMRKLSCAS-SJORKVTESA-N 446.458 2.300 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1290054064 OTTZSISPAJJPQW-UHFFFAOYSA-N 443.481 2.144 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1296259013 DGDFPBDEKATWTE-HNNXBMFYSA-N 429.912 2.029 30 10 IEEE CCOCc1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297135779 JYMXSFYLGHCYOJ-QBNCKDSPSA-N 428.537 2.358 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OC)c(O)c1 1297287940 MNCXEXAPNOCLIA-UHFFFAOYSA-N 449.515 2.170 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1297696758 GCSXFDPDNPMHHF-LJQANCHMSA-N 441.513 2.422 30 10 IEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 1298037526 IEUVYTOTRFROJC-MGPUTAFESA-N 431.541 2.207 30 10 IEEE CNC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C#N)CC2)c1 1299058935 AXMYNOYTDDBOFM-UHFFFAOYSA-N 432.532 2.288 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1300300271 GKPRKNSYZNFJEK-CTNGQTDRSA-N 440.544 2.258 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300487472 JVRCJGIXQXIKID-QZTJIDSGSA-N 447.580 2.441 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1300500725 CMWSPMZWHVZHLA-LJQANCHMSA-N 428.558 2.109 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300574760 JLLDPPFJPLCOIT-IBGZPJMESA-N 446.477 2.375 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)cc2c1 1300578139 HYORHICJDDAGFO-LJQANCHMSA-N 435.553 2.481 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1300683149 WZEVLIUOBKHZSC-WOJBJXKFSA-N 443.640 2.072 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OC(F)(F)F)CC1 1300695833 LUQSOKMKIPRQOA-UHFFFAOYSA-N 443.433 2.437 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1300983724 NTFSOCPGNDTOHZ-UHFFFAOYSA-N 425.537 2.167 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCc2cnccn2)cc1 1301519409 SYQRMMXUTPMENC-FQEVSTJZSA-N 433.516 2.311 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)C1 1301531359 KFYIFKYILDCBPO-UHFFFAOYSA-N 435.532 2.031 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1301625503 SNPUXWGKOHHRCV-UHFFFAOYSA-N 433.424 2.166 30 10 IEEE CC(C)[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1302775918 CDXORLIPNROYDC-IDYLYPCZSA-N 428.537 2.323 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCCOCC(F)F)c1 1302987092 KZJSWUBRZZQUHM-MRXNPFEDSA-N 432.431 2.129 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1304880728 DTPKMNLXBMNDOZ-KRWDZBQOSA-N 440.529 2.493 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1 1306258467 AQNIQTHGQNMMTR-QGZVFWFLSA-N 426.546 2.339 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1(F)F 1312487732 YTKQUWOAKZOWDI-DLBZAZTESA-N 434.443 2.284 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)CC#N)CC1 1313931316 XNAMDZCTBMVMPH-IAGOWNOFSA-N 430.626 2.398 30 10 IEEE CO[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOC1 1315283304 LWPMMFPGLPAPGS-HSZRJFAPSA-N 439.564 2.265 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCc1cccc(C(N)=O)c1 1316272663 LYVVAIWEXZKBKV-SNRMKQJTSA-N 426.521 2.082 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(F)c3F)c2=O)cn1 1339222817 MCAAIYGFEOWAJJ-UHFFFAOYSA-N 438.459 2.346 30 10 IEEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1Br 1357288034 PZYLXXLBMWHADI-KRWDZBQOSA-N 430.302 2.424 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2S(=O)(=O)CC)cc1 1357310229 RGLKOQQQMIYAEC-UHFFFAOYSA-N 436.555 2.468 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1358894109 ILQPPDUGILKYTQ-SJLPKXTDSA-N 440.573 2.232 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1358926227 HWTHWIUWHMUOIF-JOCHJYFZSA-N 446.555 2.315 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359068283 UZOUXJHDMDWWRI-PGRDOPGGSA-N 438.557 2.090 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1359132666 BUPHCHWVYFNGDV-SFHVURJKSA-N 446.573 2.344 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1359227746 KUDROEOBVMATQZ-QFBILLFUSA-N 427.505 2.098 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC(=O)N1 1359259873 KZENIMPBQHMHFL-ZVDOUQERSA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359296990 ASQXFJRVSXTGLP-KRWDZBQOSA-N 444.967 2.202 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(N)c1 1443038278 WRZIAMDCWPZFQR-UHFFFAOYSA-N 449.536 2.445 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C 1446144531 XPWRDSLCGYUJCH-OAHLLOKOSA-N 449.515 2.392 30 10 IEEE CCOC(=O)[C@@]1(C)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 1460664062 OBTFDMGDCXVCJG-JOCHJYFZSA-N 428.489 2.210 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cnn(C(C)C)c2I)CC1 1464750115 NEVRPVZHMXXZMO-CQSZACIVSA-N 429.306 2.375 30 10 IEEE CCOC(=O)c1c(NC(=O)CN(CCC#N)Cc2ccccn2)sc(C(=O)NC)c1C 1473196308 BQXOOWFXMVEVBK-UHFFFAOYSA-N 443.529 2.342 30 10 IEEE C#CCOc1cccc(NC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)c1 1476150828 PUCNSFRYENRJQG-UHFFFAOYSA-N 426.477 2.404 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1505071959 HQSAZJXQUGFIPD-QDEZUTFSSA-N 435.422 2.411 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2Cc2ccc(C(N)=O)nc2)c1 1507548723 VKLIVNYTAOINDT-MRXNPFEDSA-N 445.527 2.390 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1507767864 IJRCGGBZHILLSQ-XMSQKQJNSA-N 443.573 2.121 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCS(C)(=O)=O 1507793067 BYOMKUTWNKSTJA-MJGOQNOKSA-N 434.562 2.416 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507845040 VUPBDXNSPVDSIV-QGZVFWFLSA-N 439.516 2.107 30 10 IEEE C=CCCOCCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C 1507966028 LJSGIGFDKGLSTL-UHFFFAOYSA-N 445.568 2.225 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1508013552 PAGWNOBNHUIAKS-YOSAUDMPSA-N 442.608 2.340 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1508071287 IFSPSLLTVXJTMX-DZFIZOCASA-N 442.951 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1508071643 AYAPUFOYBGFVPC-OAHLLOKOSA-N 428.537 2.394 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2c(C)noc2C)C1 1508122826 GRJLOMAEHSMMPM-JCGIZDLHSA-N 449.577 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1508140288 HOBPDQCKXIWIOU-UHFFFAOYSA-N 445.589 2.482 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 1508167139 HVQCJSZJCCGMSZ-INIZCTEOSA-N 448.618 2.294 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@H](F)C1 1517073036 DSHASLJNCNCBQQ-HKUYNNGSSA-N 426.496 2.250 30 10 IEEE CN1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1517418858 RQBNCVRACJUWFJ-OAQYLSRUSA-N 446.962 2.461 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1530298143 UJFGTDPJIFZICU-IBGZPJMESA-N 437.521 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1539013021 HQUMJEPAFWRBHI-NVXWUHKLSA-N 432.546 2.094 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1539122345 ULLKBZOTQFMUTJ-XVNBXDOJSA-N 438.427 2.219 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1cccc(Cl)c1C 1539179987 UZKHJEDHJBBMAX-HNNXBMFYSA-N 449.964 2.240 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H](C)CN1CCN(CC)CC1 1539246569 TUPCBORRZNJISG-OAQYLSRUSA-N 434.588 2.300 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539263182 AHRWOQGZRZXTAO-SFTDATJTSA-N 437.544 2.220 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2cccc(C)c2)CC1 1539490113 ROTKJEHTOLWBMS-UHFFFAOYSA-N 425.533 2.168 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1)C1CC1 1540098990 OWVRHJRCVYJNNY-UHFFFAOYSA-N 446.573 2.433 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1540911541 VBEONESTPXATHQ-IYBDPMFKSA-N 426.550 2.454 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1541115663 CRDIZUIQARBEJN-KURKYZTESA-N 436.626 2.287 30 10 IEEE CC(C)c1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541347631 IYNUALWBCGKUBC-XUTLUUPISA-N 428.537 2.323 30 10 IEEE CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1547647056 QHJJFFGESFBYEO-ABUFQMGBSA-N 443.596 2.312 30 10 IEEE CCNC(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)cc1 1547756778 GFXKIMUUAMRKPV-UHFFFAOYSA-N 449.559 2.442 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)cc1OC 1547944580 KQSBADOVKGNJON-QRQCRPRQSA-N 426.521 2.427 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOC1CCCCCC1 1555752682 DOQSJRCPSQOYPP-IHPCNDPISA-N 433.553 2.470 30 10 IEEE O=C1[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)CCCN1O 1556782329 DFVFRFKRJMUZBJ-AWEZNQCLSA-N 445.335 2.032 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C(=O)/C=C\c3ccc(F)cc3)C2)nn1 1558101830 BBYMQSHWQXYFLS-TWGQIWQCSA-N 429.452 2.108 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1559939326 MZRKRGWJQMNSBN-MRXNPFEDSA-N 439.965 2.035 30 10 IEEE CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1562339639 GPQHDJYYFMVAQP-UHFFFAOYSA-N 431.493 2.268 30 10 IEEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 1565975931 PKSPEEAOAOBOOQ-ROUUACIJSA-N 426.579 2.451 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)c1cc[nH]n1 1566207573 CAYSCXBLBBJIBL-UHFFFAOYSA-N 433.553 2.053 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588045433 KNNXTCGJXKURLP-MRXNPFEDSA-N 438.500 2.162 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588053393 DRTPHOYGWFUSSR-CVEARBPZSA-N 434.587 2.081 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1588060039 YEPBIIDQDUTPQZ-VCOUNFBDSA-N 434.606 2.309 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc2c(c1)OCCO2 1588458919 JOKWKMAJAMQIIC-RXVVDRJESA-N 426.517 2.476 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(N(C)C)CCSC2)CC1 1588856822 BXZRWEXREAKTQR-OAQYLSRUSA-N 430.647 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1588913793 QPXLCLYVIHNFGZ-HXUWFJFHSA-N 449.603 2.426 30 10 IEEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1594566383 GOZNKVZCCVAMNO-UHFFFAOYSA-N 430.940 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595530240 XQLZVBDLBGOELM-KRWDZBQOSA-N 449.559 2.422 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1595602552 NIBNPJPXOCVFTK-MRXNPFEDSA-N 448.568 2.315 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnnn1CC1CC1 1596848693 BPPJZUSLTIEMEZ-YXJHDRRASA-N 427.557 2.237 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(F)F)C1 1620384916 HYURIMWFKQZCKX-UXPDKRSESA-N 443.458 2.348 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)CC2)c1 1623850297 TYVRIANANIMBFN-KRWDZBQOSA-N 441.285 2.146 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1630585159 HUSJSKRLCHBGTH-CABCVRRESA-N 434.928 2.421 30 10 IEEE Cc1oc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1S(=O)(=O)N1CCCC1 1635415984 XCEQIIPMQXEVNR-KRWDZBQOSA-N 443.529 2.356 30 10 IEEE N#Cc1cn(CCC(=O)NCc2cc(C(F)(F)F)ccc2Br)c(=O)nc1O 1637939068 QHBQDYVCFMKFIQ-UHFFFAOYSA-N 445.195 2.308 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc(-c2cccnc2Cl)ns1 1638840597 KYOPFHQCFFWEFV-JTQLQIEISA-N 448.917 2.431 30 10 IEEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(COc2ccccc2C#N)c1 1640721991 SFEGYTSLLSZNAF-RUZDIDTESA-N 435.524 2.483 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)c1 1643756297 YQCJCQHPDIRLRE-YADHBBJMSA-N 426.538 2.196 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(c3nnnn3C)CC2)n(-c2cccc(F)c2)c1C 1644395724 VFPCCOXPIZAHQG-UHFFFAOYSA-N 436.495 2.447 30 10 IEEE CC(C)(C)NC(=O)CNC(=O)CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655767583 RKIWNPCGZRLACJ-DTORHVGOSA-N 439.347 2.120 30 10 IEEE COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1660342520 HIGJGWNGHPBLOV-CRAIPNDOSA-N 442.516 2.227 30 10 IEEE CCOC(=O)c1c(NC(=O)N(C)[C@H](CO)Cc2ccccc2)c(C#N)cn1CCOC 1668605533 GBGSQUHGMMTMSJ-SFHVURJKSA-N 428.489 2.250 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)cc1 1681090866 SHAQRPCKRCYYTF-UHFFFAOYSA-N 433.511 2.054 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)CC1 1682765509 LOOJVDYLJVFTAF-OXJNMPFZSA-N 428.508 2.049 30 10 IEEE COc1ccc(CCC(=O)N2CCCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1685740716 CPDWQDVSJDDUMO-UHFFFAOYSA-N 428.533 2.192 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1689901687 OQNCVLNJVKILCV-QZTJIDSGSA-N 443.573 2.457 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 1689916872 ZUHIDCGUNBIAPW-KRWDZBQOSA-N 431.562 2.224 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1689964818 YQFWEAZXHKLKAM-VGOFRKELSA-N 433.553 2.268 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1689986173 KFRSVDSHKUPRHY-YLJYHZDGSA-N 431.587 2.253 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988813 WSIZMJNSZUCYBH-IBGZPJMESA-N 441.557 2.201 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1conc1COC 1690043593 GRQBOESPOQCBLX-UHFFFAOYSA-N 443.467 2.240 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@](C)=O)CCC1 1690098424 HSFUAICBFYYRPA-HKBQPEDESA-N 444.557 2.104 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC(F)(F)F 1690613828 UYIYHCLQTKFDOG-UHFFFAOYSA-N 432.834 2.311 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690625945 ILZWVTXXRHLGQF-INIZCTEOSA-N 436.557 2.112 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CCC(N)=O)CC1 1705511615 AAKGBEUINCBPET-UHFFFAOYSA-N 447.547 2.206 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1705517550 XWHHMTQRSHUTNV-QGZVFWFLSA-N 438.619 2.086 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1705610963 LFAZZHANAXNWSV-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccccc2)CC1 1705617557 YRFALDHGUULHPQ-UHFFFAOYSA-N 449.603 2.072 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)C(=O)C1 1705654743 RXHGMPHDRDPREV-UHFFFAOYSA-N 428.518 2.278 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1705659535 ZLDVLAPZJPLVDH-MRXNPFEDSA-N 427.530 2.351 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1705666748 IPPPAPIXFYPWTD-OPAMFIHVSA-N 445.589 2.156 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1705669286 IHBXMYSKJQKBGA-DHIUTWEWSA-N 431.581 2.033 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC(C)C)CC1 1705687499 FQDPQVYXHSYOIG-MRXNPFEDSA-N 428.375 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1705699955 NKPTXUPVJIYWMK-SCTDSRPQSA-N 438.594 2.167 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705832853 KYNKUWRVVJFZMZ-PKOBYXMFSA-N 443.552 2.120 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1705889764 BWAQPPCNBBJBCK-OAHLLOKOSA-N 438.301 2.316 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1705894544 CFKBFJFZMGWWRL-QGZVFWFLSA-N 425.537 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(C)(C)C)C1 1705899303 OITFSQQALDQDAC-SFHVURJKSA-N 427.505 2.227 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](C)C1 1705927749 FLDLJYKWUPMGNN-MRXNPFEDSA-N 425.599 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)C)CC1 1705935168 JAEKDLZSEABVOA-UHFFFAOYSA-N 435.569 2.139 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1707333753 YCDLFXDOXUGWIX-FGZHOGPDSA-N 426.496 2.394 30 10 IEEE CC/C=C\Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709382557 CPPHJZODTIXPNL-JTHGQSKGSA-N 442.568 2.209 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1712167323 JDHLBGXXIRUZPX-IBGZPJMESA-N 430.528 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCOC)cc1 1722285529 XIFWNJUWJQFESQ-KRWDZBQOSA-N 434.500 2.457 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@H]1C 1722409534 CFKICFGOUOSGEW-IERDGZPVSA-N 430.578 2.249 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@H]2CC)CC1 1722447537 JEFRFVRDNSYIME-NEWSRXKRSA-N 426.565 2.021 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCC[C@H]1CO 1722476190 OKQKETAIEZEOQN-XUZZJYLKSA-N 439.608 2.369 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722535017 WKVNHAKOUNAWMX-UHFFFAOYSA-N 435.536 2.061 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1722537835 RODMUTPFYBLLEO-QFBILLFUSA-N 427.505 2.098 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ncccc2Cl)CC1 1722560002 NXMSYFYBJHMHML-CQSZACIVSA-N 440.957 2.172 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1722677263 YPKZQHIBYUUJTB-GOSISDBHSA-N 443.548 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2OC)C1 1722709949 ZOBXCHITVYCZBM-GOSISDBHSA-N 441.532 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1722723758 DMNLHFFSBLUBGK-AWEZNQCLSA-N 432.472 2.244 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722863507 KMCTUARAQFBGTI-KEYYUXOJSA-N 443.483 2.141 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1 1727477024 IWZVNGPAKUHGMP-QVKFZJNVSA-N 433.532 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1CCCO 1740637246 VMWBIPNEQVNTAI-HSZRJFAPSA-N 443.555 2.050 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nncn1-c1ccccc1 1740661020 MZIPNUDSHIPWTI-UGKGYDQZSA-N 445.527 2.094 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCCC 1740671060 YSFRKFNFVOFRPX-UHFFFAOYSA-N 432.569 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)N(C)C)CC1 1740691863 AWIATSSNAKLYCZ-INIZCTEOSA-N 431.382 2.413 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCN(CCC)C2)CC1 1740705476 HWKPVLTXVRJPPQ-FPOVZHCZSA-N 442.608 2.217 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740712992 BGAPWZMMMXWNPD-JOCHJYFZSA-N 443.573 2.421 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1740716121 MLUHLAROCAFKQH-MOPGFXCFSA-N 436.541 2.045 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740847211 AGHVFSGFZHCKCD-CQSZACIVSA-N 435.550 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1740959498 XRLZCVQGHOTTLA-UHFFFAOYSA-N 432.488 2.026 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCOCC2)C1 1740982029 SDHIECQVWSHCPM-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1741802254 HJNQSTLQSJFEKB-OCCSQVGLSA-N 435.330 2.017 30 10 IEEE C[C@H](Cn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1741863604 BSRDDPJJWUVQLO-IIBYNOLFSA-N 432.475 2.159 30 10 IEEE CN(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)c1ccc(F)cc1 1747552591 DRGFYKFVBYOEGQ-MOPGFXCFSA-N 425.512 2.411 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1747869190 FFWQHTUUQJXFBN-UYAOXDASSA-N 427.505 2.007 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C(=O)NC)c2)CC1 1748986873 KJORLRXXJNPZRM-UHFFFAOYSA-N 443.555 2.006 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC2)CC1 1749010846 QWFMITPEORWRCT-UHFFFAOYSA-N 445.571 2.268 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1749038634 VIOBNHYCBXSZQC-IBGZPJMESA-N 441.557 2.216 30 10 IEEE C=CCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749606104 IXKHZWQIZXQSPP-LVQVYYBASA-N 439.582 2.104 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749677218 RPHMWKLDKUHIIC-UYAOXDASSA-N 425.533 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749726812 FUGSXLQNJVQVHM-OAHLLOKOSA-N 430.452 2.313 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1760117562 QIUSRCNGIUBKOB-CMKODMSKSA-N 445.589 2.263 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@]2(OC)CCOC2)c1 1760125981 ONHDILASKCEJSJ-QHCPKHFHSA-N 434.500 2.135 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@](C)(O)C2CC2)c1 1760127554 CXCISTMMRIJYHD-VWLOTQADSA-N 444.539 2.481 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1760183575 RZKQJPCNMBFIEZ-SFHVURJKSA-N 446.573 2.484 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1760183894 DLMIKFZAOJAFGV-NPPFBWRTSA-N 443.573 2.315 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760185150 QODHTKXRBJFSPS-SJLPKXTDSA-N 445.564 2.194 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1760274490 KHQDRWGTKPHPJA-HKUYNNGSSA-N 445.564 2.444 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1760282048 VCLYGOJPQQGJHJ-GOSISDBHSA-N 429.571 2.055 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1760325895 SQZDZBBVXBBBRC-SBHAEUEKSA-N 441.580 2.083 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1760416900 PTMCLAJBEXCHPR-UHFFFAOYSA-N 432.613 2.159 30 10 IEEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760429503 FIPISZKVJNHZMP-UHFFFAOYSA-N 437.541 2.434 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1760528994 STLSSGCHIMTPKM-WOJBJXKFSA-N 441.532 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCSC2(CCOCC2)C1 1760552469 PBDYJOUTEVQKJW-UHFFFAOYSA-N 449.602 2.043 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)c2ccccn2)CCOC1 1761291261 JAKLZNZWGXDXGU-FDDCHVKYSA-N 440.548 2.420 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)SC 1770040169 AUFJOYGYWMFLDE-IAGOWNOFSA-N 445.593 2.347 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1770340841 YMTBAHXMXKPTKO-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cscn1 1772887316 SWIYDEVDCQRZEH-UHFFFAOYSA-N 445.574 2.239 30 10 IEEE COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4ccnc(C#N)c4)CC3)nn2)c1 1849523905 FCEZSMUVBXWBFW-UHFFFAOYSA-N 430.468 2.390 30 10 IEEE CCOc1ccc(-n2nnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2CC)cc1 1850574489 GFHMRMNGZCWICP-UHFFFAOYSA-N 431.500 2.457 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 1850731752 OJQQFSDBFLHEQF-OAQYLSRUSA-N 443.511 2.463 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H](N1CCS(=O)(=O)CC1)C(C)(C)C)c1ccccc1 1851537726 PHYKCMMYXIPCIL-QGZVFWFLSA-N 438.619 2.040 30 10 IEEE Cc1ccc(C)c(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1851582012 SNFXOUNTUDGPFW-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1snc(N2CCOCC2)c1C#N 1852376079 ZCOKYYMUGOPIAB-OAHLLOKOSA-N 443.504 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)N3C[C@H](C#N)CC3=O)cc2Cl)CC1 1852798963 PSCXPAKPYGKKBI-ZDUSSCGKSA-N 433.896 2.304 30 10 IEEE CCN(CCn1ccnn1)C[C@@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1854592914 PDIIKOATQVCYNR-KRWDZBQOSA-N 428.924 2.398 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)c(C)c1 1855807001 MDXVRICPUDKXIE-QGZVFWFLSA-N 425.510 2.166 30 10 IEEE COc1cc(C)c(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1C 1857293408 RTNZIXULMSMBHO-KRWDZBQOSA-N 433.530 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1860620150 BFVQSMAAXRODKG-UHFFFAOYSA-N 426.517 2.490 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862744959 YMCLNYVMSSEKDX-QGHHPUGFSA-N 443.368 2.168 30 10 IEEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCCC[C@H]1CCO 1868784957 ZUAWFWHPNORCCK-YTQUADARSA-N 432.590 2.293 30 10 IEEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107491 LBPJDPJHCGEJSA-UHFFFAOYSA-N 428.452 2.440 30 10 IEEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CSc1nnnn1C 1870271971 DLIBWGMRPCYCSF-UHFFFAOYSA-N 441.513 2.397 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C1 1991996314 MTBRSAAUTMZEIC-ZDUSSCGKSA-N 427.498 2.084 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1993678570 PSPOYXUFGFBNAE-OWCLPIDISA-N 427.542 2.332 30 10 IEEE C=CCN(CC=C)C(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195285690 IUNTUYQCXOLZSZ-JJCDCTGGSA-N 436.530 2.094 30 10 IEEE C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247776828 FALREQNTFDDFLA-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247919097 PKTNZPMJKUNRKB-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC1(C)OB(c2ccccc2S(=O)(=O)N(CC(=O)O)Cc2ccccc2)OC1(C)C 2248583945 RBRCONBUVGTXBZ-UHFFFAOYSA-N 431.319 2.261 30 10 IEEE CCN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255619516 PVXWBXCUYPAPHY-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255632265 KUGIOAJUHUHFDQ-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE CCc1nn(C)c(C(=O)N2CC(OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255824217 CXJHVDGGFKNFCV-UHFFFAOYSA-N 425.338 2.323 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256624954 QGOGSDNRMYRUTD-WMLDXEAASA-N 434.342 2.049 30 10 IEEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256638028 AAQWPZKLPCHIMF-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256680365 VQQMAGOSEHDRLU-UHFFFAOYSA-N 438.305 2.293 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267096582 UDNLQDUQHKLGNF-YCPHGPKFSA-N 446.357 2.084 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120002 DJHUWUHERXEDOT-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]1CC2 2267139156 BWGWTLZINKUPQY-CWRNSKLLSA-N 446.357 2.369 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267147805 XMQOSXKTGJUQTI-GOEBONIOSA-N 448.373 2.474 30 10 IEEE CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267179309 OBPZQGFFQXWMLU-QFIPXVFZSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267193886 LSLSBFJCQMRBTC-QGPMSJSTSA-N 443.353 2.366 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267525731 IWDXLHCCEIEILO-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268643584 YHKGXZOUPHCWBF-KBXCAEBGSA-N 446.353 2.102 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268702357 UTFURTCITJFGGJ-ZBFHGGJFSA-N 447.341 2.344 30 10 IEEE C[C@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268721318 JNBMGOUHPMAAFF-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@@H](N)C#Cc1ccc(Br)cc1 2278814903 YDDIXFSSEOEBNZ-JKSUJKDBSA-N 445.379 2.456 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C 2317604019 WJZJOCOQIDLRIZ-CQSZACIVSA-N 438.330 2.157 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc[nH]1 2328988649 TVSWOSNIRDUICM-OAHLLOKOSA-N 431.566 2.173 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc([N+](=O)[O-])c1 2329035009 VSJRRYIMJFZNPB-CQSZACIVSA-N 446.489 2.058 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2337199760 YXTSCHCYOALKJE-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2337208913 PJGNQAOASVGYEJ-CABCVRRESA-N 448.373 2.143 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC1CCCCC1 18760073 CBYQCAIIWBJEFX-HSZRJFAPSA-N 425.485 2.144 30 10 IEEE COc1ccccc1CN1C(=NC(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@H]21 254449973 QDAWNXMJVRJHHS-MJGOQNOKSA-N 446.550 2.371 30 10 IEEE CCc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(-c2ccncc2)n1 301187308 VVVYTGLFRCLMFO-UHFFFAOYSA-N 434.525 2.484 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 302989892 FTMXQYSJXCJRQD-UHFFFAOYSA-N 429.274 2.449 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 410074562 MFSFFYYZIADQOT-NEPJUHHUSA-N 437.381 2.107 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 435125228 DHDJSPZAERRADE-IBGZPJMESA-N 435.576 2.424 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nnc3ccccn23)CC1 460375148 XVFXCNGPNGSFIF-KRWDZBQOSA-N 441.561 2.183 30 10 IEEE Cc1ccc(-n2nnc(CC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C)cc1 489192017 CFNAPVXDGOEJTH-OAQYLSRUSA-N 428.496 2.216 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 508889690 UCMYTLIEHSSLDO-GOSISDBHSA-N 443.573 2.373 30 10 IEEE C[C@@H]1CN(Cc2cccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)c2)CCO1 516274096 GTIJIHLWPUGZAB-LJQANCHMSA-N 434.544 2.206 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)cn2)c1=O 531630573 ISCRDTLEULOBIV-UHFFFAOYSA-N 449.532 2.044 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccc1 549220325 VTHRUZYLBHFUIF-IBGZPJMESA-N 433.578 2.256 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)o1 557846697 MCUAPZZCSRBTOE-UHFFFAOYSA-N 444.296 2.370 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c1 603991028 SYNUSENUZMXFKT-UHFFFAOYSA-N 449.507 2.218 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)CC1 604180942 OZJUXQNRRNQGLU-HNNXBMFYSA-N 428.455 2.102 30 10 IEEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)NC(C)(C)C 610103521 YQZZDDHIXMNNHN-UHFFFAOYSA-N 446.504 2.338 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)c(F)c1 619532622 MBXUYIJKORGCMG-UHFFFAOYSA-N 430.867 2.438 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669811412 QADOXPBHZVMDIB-FXAWDEMLSA-N 442.539 2.171 30 10 IEEE C=CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669815667 HIAWMIJCBPCLHA-PXNSSMCTSA-N 428.606 2.495 30 10 IEEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)c1 730145160 XMOYWCACHBVDHA-MZMPZRCHSA-N 434.562 2.112 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)c2cccn(C)c2=O)cc1 733503553 JZZXIYBSBNGBBT-UHFFFAOYSA-N 434.452 2.469 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 734293961 VPGLCETXXMSUSA-UHFFFAOYSA-N 428.495 2.011 30 10 IEEE CN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 761056384 ONPDHQPJYIMWMP-FXAWDEMLSA-N 446.960 2.330 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC(C)(C)O)C1=O 774275948 XPMPSTKDLBKFRY-KRWDZBQOSA-N 438.569 2.376 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCc1cnccn1 774575259 GUHCQKUFCJYCND-LJQANCHMSA-N 440.573 2.027 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1 783452635 GXNVGZLPTIDVHW-ROUUACIJSA-N 448.523 2.317 30 10 IEEE C=CC[C@]1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CCCN1C(=O)OC(C)(C)C 790133253 SQVITHUJUWPKBD-GOSISDBHSA-N 429.564 2.358 30 10 IEEE C=CC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccccc2)CCCN1C(=O)OC(C)(C)C 790255857 WADAGQYDIDABSD-NRFANRHFSA-N 437.562 2.427 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 800772336 AGUHAFVPQNIFPV-GJZGRUSLSA-N 427.509 2.461 30 10 IEEE C#CCC(CC#C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 807168102 COSJOSUFQMKVOU-QUCCMNQESA-N 429.561 2.404 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 809885162 AXMJKDISADNTQV-PNLZDCPESA-N 449.552 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 810980521 BBEDCQKMXPVQCI-MSOLQXFVSA-N 430.480 2.375 30 10 IEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CC)[C@H]1CCS(=O)(=O)C1 812037252 MGXKVKGQRLJQJS-ZDUSSCGKSA-N 441.326 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(Cl)c(C#N)c1)CCO2 814398195 SUXAARIOWQDKBS-UHFFFAOYSA-N 427.910 2.222 30 10 IEEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 857838209 YURJFZZOLOOJKK-IAGOWNOFSA-N 441.550 2.048 30 10 IEEE C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1c2ccccc2CC[C@H]1C 913173407 BKPJBOVWHVRSKL-HZPDHXFCSA-N 441.509 2.136 30 10 IEEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc1 1084201872 ANNVEMVYBDVKNT-UHFFFAOYSA-N 442.505 2.118 30 10 IEEE COc1ccccc1Cn1cnc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc21 1136671273 CJADKCZTGRSJNW-ZNTNEXAZSA-N 445.479 2.349 30 10 IEEE COC(=O)Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]c2ccccc12 1153866471 OKUMGGYJKINMPN-CXAGYDPISA-N 426.473 2.372 30 10 IEEE CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)NCc1ccc(C(=O)NO)cc1 1155846982 NKMQFTVJFQPJLI-GOSISDBHSA-N 427.457 2.494 30 10 IEEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1158172295 CMFGIHWCSVNIBT-UHFFFAOYSA-N 439.472 2.143 30 10 IEEE N#Cc1cn(C2CN(C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)C2)c(=O)nc1O 1180989109 IWXABUKYKWTVGG-UHFFFAOYSA-N 427.873 2.223 30 10 IEEE C[C@H](NC(=O)[C@H](C)N1CCc2c(CC#N)cccc2C1)c1ccc(S(N)(=O)=O)cc1 1196622940 MUTRMWYZYMLPMH-HOTGVXAUSA-N 426.542 2.024 30 10 IEEE C[C@H]1Cc2cc(C(=O)Nc3c(C#N)nnn3Cc3ccccc3)ccc2N1S(C)(=O)=O 1278717424 HNORNIRPRFSVLG-AWEZNQCLSA-N 436.497 2.161 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)CC1 1279985229 PIISMRZBVMQSOI-QHCPKHFHSA-N 445.564 2.277 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286360406 TVWZAPDEZUZHJE-SIKLNZKXSA-N 428.537 2.044 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1286392110 HVZXXJQKJYFMSG-BRWVUGGUSA-N 442.532 2.234 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCS(=O)(=O)c2ccccc2)CC1 1286472820 VNRIPPMVLRQSQR-IBGZPJMESA-N 429.590 2.411 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccs1 1286535358 HUXPYQMVVHYVMC-NSHDSACASA-N 434.385 2.495 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1286564150 MFRLYDKELZNOJA-FXAWDEMLSA-N 430.578 2.284 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)C1 1286807897 SSWGKYHUMGWBEU-SLFFLAALSA-N 428.533 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286821450 LHJTWGGGIXWCAZ-GOSISDBHSA-N 435.598 2.127 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1286969599 QNZCOMSTGLIXTH-IEBWSBKVSA-N 425.537 2.048 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1286975863 CWMHLWISTLSKIY-PZPWOCDFSA-N 431.562 2.236 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1289453434 ARSXEJKCZNQPGG-VGSWGCGISA-N 444.486 2.492 30 10 IEEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(N3CCOCC3)CC2)cc1 1300260175 BOSCGTGJPANBAA-GOSISDBHSA-N 440.548 2.469 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1300412404 XXXOYPXUHOCQGH-UHFFFAOYSA-N 437.516 2.032 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1300495942 LIWFHGNPVWUEJY-UXHICEINSA-N 442.585 2.268 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300504235 KTFPWKAXJZESDG-FHWLQOOXSA-N 428.558 2.448 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CC[C@]2(CCOC2)O1 1300547175 HZGUNDITJNDUFA-NTKDMRAZSA-N 436.512 2.277 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCNC(=O)Cc1cccc(F)c1 1300569897 CYJBNWJBBLDQQF-UHFFFAOYSA-N 430.487 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CO2)C1 1300656267 HSVISDMLRNLFGQ-PKOBYXMFSA-N 426.517 2.422 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1300699530 DYCFIPBGVKCEDJ-BDTNDASRSA-N 428.625 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(F)c2)CC1 1300719513 DPYRTHVZQMKMEJ-UHFFFAOYSA-N 435.507 2.026 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1300805885 KGUYCEWLQKVJHV-SIKLNZKXSA-N 433.622 2.294 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)N1CCOCC1 1300874985 MCXIAEXLJLJIAT-YLJYHZDGSA-N 429.521 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300880782 KUVXWYQDMOKCJI-HQRMLTQVSA-N 427.553 2.155 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1300944100 DVFLTOBBKXFINO-UHFFFAOYSA-N 427.553 2.459 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1300972981 STPDMKUWLIMDAP-AYBZRNKSSA-N 449.577 2.423 30 10 IEEE C=C(Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1301003238 HUSLZHSQSOLPPL-UHFFFAOYSA-N 436.560 2.386 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301187149 QSTJHLLHPFBTJV-QZTJIDSGSA-N 430.553 2.295 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccn2)CC1 1301492033 VQTPWFVHLDXRJD-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCCC2)CC1=O 1301890096 GTMAEGHLUGWCBB-UHFFFAOYSA-N 438.532 2.071 30 10 IEEE COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)COc2ccc(C#N)cc2OC)cc1 1302045083 DAXJXRUBFKKJFJ-UHFFFAOYSA-N 435.440 2.246 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)c1 1304240416 WMPJICIACMKRNQ-UHFFFAOYSA-N 426.494 2.408 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)c1C#N 1306285689 FCUBAMDLDASOBQ-KRWDZBQOSA-N 428.493 2.499 30 10 IEEE C=CCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1307537759 JFSGDKAWRLIHDC-UFYCRDLUSA-N 438.590 2.158 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314484215 QYBXQSJJWASRCQ-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1315422812 DYLJZADJMHDKOU-NHCUHLMSSA-N 440.548 2.039 30 10 IEEE COC1CCN(C(C)(C)Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1315704099 GWONXVXUVRFDIB-UHFFFAOYSA-N 438.580 2.069 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CC1 1316128530 HHLLVCHGAUKTDJ-UHFFFAOYSA-N 434.548 2.180 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCOCCCO)CCN1C1CC1 1316537546 CYRXMEWZMQURNW-LJQANCHMSA-N 430.940 2.174 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1330145425 JPLOMQODTRNXFZ-AEFFLSMTSA-N 429.473 2.090 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC[C@@H]2OC)c1 1358901649 RUFAKABOIGIMTB-NQIIRXRSSA-N 448.527 2.381 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1358958139 IIWJKVHHCQXOAM-QGZVFWFLSA-N 429.477 2.056 30 10 IEEE C#CCN(c1nnc(COCC)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358967930 VRSGDCZYSCCGAI-LJQANCHMSA-N 434.537 2.213 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCN(CC)CC1 1358974249 WUNPHHUAXOKCRW-UHFFFAOYSA-N 439.995 2.484 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1359055475 FIPROKXUHOJBPK-QGZVFWFLSA-N 428.537 2.061 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1359233960 XERIMHSOANEQAD-UHFFFAOYSA-N 443.548 2.458 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1359373219 UASVWRCBEVYLEQ-JLMWRMLUSA-N 432.569 2.173 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCn3c(nnc3C(F)F)C2)C1 1448715255 HNOKUNLPJMLFCA-UHFFFAOYSA-N 437.248 2.328 30 10 IEEE C#CCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cn1 1448876571 MBERBZIMSNZUHE-UHFFFAOYSA-N 436.493 2.450 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)c1 1458038919 ARNMXAGBTHHTJB-FQEVSTJZSA-N 434.521 2.374 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1462380184 PUMRCYJOKABGCB-KSSFIOAISA-N 438.912 2.492 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(CN3CCCC3=O)c2)c1 1464839168 UKIRWVQMGUCWRK-UHFFFAOYSA-N 429.473 2.175 30 10 IEEE Cn1ncc(Br)c1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1469763896 DBXGCZKAPYHILJ-HNNXBMFYSA-N 431.294 2.049 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1Cc2cnccc2NC1=O 1471654903 NXLNCWVNOJQMNC-VQTJNVASSA-N 447.495 2.467 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)c1cc[nH]n1 1471938553 QGZXAUMOZKRDCV-QGZVFWFLSA-N 448.451 2.032 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)nn1 1475886693 LLXSDUKTADNLNH-HOTGVXAUSA-N 432.550 2.452 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1 1476054733 UEJKFJAHOCBUKQ-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1492492375 ASCYBRKVHOMEOD-QAPCUYQASA-N 431.562 2.472 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC[C@@H]1C 1504517456 DBDXEXVKQXWQBM-XTQVGHSUSA-N 441.532 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1507515195 GKMQRJFIVNIQOP-HZPDHXFCSA-N 428.562 2.379 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1507537175 GSEZALXWXSCELC-JSGCOSHPSA-N 442.463 2.427 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507638980 UECCNBRMFSHURN-VAMGGRTRSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCc2ccccc2C1 1507653206 PEAAOLRLIZMHRM-OAQYLSRUSA-N 430.556 2.139 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507800559 OBMRSUCNUFSBPY-AOIWGVFYSA-N 446.577 2.120 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1507840410 QBPOWUBOOXMXMT-UHFFFAOYSA-N 426.565 2.056 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)nn(C)c2CC)CC1 1507897228 NVYZRKNCVPTSEP-OAHLLOKOSA-N 449.625 2.197 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507921164 RTUMDOAXKWZKND-QHCPKHFHSA-N 449.596 2.216 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC(C)(C)C1 1508090868 IZTOYTWCYPSWEF-HNNXBMFYSA-N 430.578 2.444 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1514135710 CJIJYCZEUHZXNY-MOPGFXCFSA-N 429.546 2.399 30 10 IEEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1517083883 LHFALABAQSMFCF-UHFFFAOYSA-N 434.566 2.150 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)C[C@H]1O 1517689856 PMTGSTUWOQWEPX-NXWXRZEISA-N 427.480 2.315 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C(C)C)cc1 1518331310 MFXWWZMZKUNZEB-JOCHJYFZSA-N 444.511 2.470 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1ccc(F)cc1 1519449908 OKDUSKPRDGVWCL-FEHORTKBSA-N 445.495 2.337 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCOCC(F)F)CC2)c1 1521111324 WEFVSTOZURGOSR-KRWDZBQOSA-N 447.490 2.047 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCOC1 1528029425 HAWFXRSXPMQYQT-QHCPKHFHSA-N 443.548 2.360 30 10 IEEE COC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 1531656264 TWEOAPDFPMJUMB-WOJBJXKFSA-N 436.468 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)cc1 1538966180 VTPYAZQAUJUWIE-KRWDZBQOSA-N 431.500 2.122 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@@H]1C 1539001418 AKPXSDJCTIBIJU-CKJXQJPGSA-N 430.578 2.247 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1539206655 UEYNHGSCQLUFQV-PMACEKPBSA-N 430.574 2.483 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539210369 DHVJTIYAMLOJAZ-LJQANCHMSA-N 428.558 2.389 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1539216024 MTYIWUPFJXACGX-LBPRGKRZSA-N 442.438 2.387 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OCC)c1 1539284031 FFCGXRWIFWQKSF-UHFFFAOYSA-N 435.528 2.433 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1nncn1C 1539617575 XILLCXMPGPWINP-YRXWBPOGSA-N 445.568 2.453 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1539666442 ZXWVAYAYBLRZGB-QGZVFWFLSA-N 430.553 2.255 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539793747 WVCYLEVKDBFTLA-DNVCBOLYSA-N 429.956 2.081 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539977826 UDETZLOJZRZAIU-UHFFFAOYSA-N 426.496 2.473 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)F 1540134307 QGXWKINYVZACSN-UHFFFAOYSA-N 433.438 2.392 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1540170957 UBCRCNOGABXAAZ-MBSDFSHPSA-N 439.564 2.170 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2COCCO2)C1 1540887548 YWKUQOHMXWJKGJ-MSOLQXFVSA-N 430.505 2.159 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1541115705 DGKCBZRTLRQCEP-FUHWJXTLSA-N 448.568 2.404 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)CCOC1 1541733673 UGICDLMANNQQIA-SXWKCWPCSA-N 446.596 2.168 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1cc[nH]n1 1542284102 YTYUFMNVVLBIHL-OAHLLOKOSA-N 430.461 2.280 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1545062422 HIZQBBPVPNFUSY-SFHVURJKSA-N 448.541 2.079 30 10 IEEE CCC[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 1546153170 FTOZTMFGLJGKQA-NRFANRHFSA-N 440.569 2.350 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1547097049 UPRHWDGHYURURI-DPPKGPFUSA-N 429.569 2.096 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1547801464 FZYPSLSYBONGJQ-IAGOWNOFSA-N 433.557 2.413 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1555430495 XQJMPAGNYPXEJG-NYDSKATKSA-N 443.548 2.377 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OC)c1 1555557571 VFGIXYSQUHHICN-UHFFFAOYSA-N 438.488 2.429 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC)c2cccc(S(N)(=O)=O)c2)c1 1556249852 VXNFLUSXWGEEHF-LJQANCHMSA-N 434.539 2.012 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Br 1557364757 XYUBGOIUSCWJBK-CJNGLKHVSA-N 427.364 2.191 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NC(C)(C)c3cccc(C#N)c3)C2)cc1 1564719843 PLNUNXJFJNQHPW-UHFFFAOYSA-N 428.514 2.174 30 10 IEEE Cc1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1S(=O)(=O)NCC#N 1570505440 FITXUQZOKXYIRQ-RTWAWAEBSA-N 438.553 2.143 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CC(OCC)C1 1587579498 HDIQQJKQBCVTTN-POFQCLBPSA-N 444.532 2.359 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1587878958 LTRSKMORGJLZHH-LEWJYISDSA-N 425.581 2.100 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(C)CN(C)C1=O 1587932711 ZMKGYDVJEXAYFN-IBGZPJMESA-N 432.322 2.264 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588029737 LKXBAXCAVZUJBT-JXFKEZNVSA-N 443.573 2.425 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588059496 OZKSRDJRCGAEAY-GOSISDBHSA-N 448.564 2.450 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588180146 BSBABDXZDHOZRP-AQNXPRMDSA-N 431.606 2.459 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1588813553 ZECKILCFRBVXHP-FQEVSTJZSA-N 439.560 2.383 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2OCCC2(C)C)CC1 1588872230 ZWSMGXMVDKAHML-OAQYLSRUSA-N 439.560 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(C)(C)O)CC1 1588961625 GQISSHGDMUUWDO-UHFFFAOYSA-N 443.523 2.123 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1595583878 IBEIWUFGWVBLHN-UHFFFAOYSA-N 443.525 2.496 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCSCCCO 1611301832 AXMALAWLHVMXOM-AWEZNQCLSA-N 427.534 2.448 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)s1 1613903986 CVIXYILSXNAJNR-OAHLLOKOSA-N 436.545 2.371 30 10 IEEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1614274177 NEBKJLDUFIFBPX-ONEGZZNKSA-N 447.543 2.054 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)SC)C[C@H]1O 1618884491 CYJOCMHFFYHXGJ-IAGOWNOFSA-N 429.546 2.319 30 10 IEEE C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635275 IMQYTYRIVFDSBN-TXBYWVTISA-N 437.521 2.115 30 10 IEEE COc1ccc2c(n1)N(C)CCN2C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1626255012 WBFRKBBHIAPGCG-AWEZNQCLSA-N 425.876 2.451 30 10 IEEE Cc1ccc(C(=O)NCc2ncccc2S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1626855964 LSBNXRXKRJTIAZ-UHFFFAOYSA-N 430.335 2.023 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ncnc(O)c2Br)CC1 1627769383 HHDGWUOXZPSGKB-UHFFFAOYSA-N 439.273 2.327 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1630873111 JKEVZVKDVSQBCE-YESZJQIVSA-N 439.553 2.434 30 10 IEEE Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc21 1632533425 XBHADYUWZVOXTO-WCQYABFASA-N 438.410 2.476 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@H](CC#N)C(F)(F)F 1635288116 HJJZJZNSGDQJTO-MRXNPFEDSA-N 443.451 2.030 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2cnccc2s1 1637897499 NRMGWIUAMGBZDI-AWEZNQCLSA-N 443.554 2.461 30 10 IEEE Cn1cc(CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1638375391 JVQQJWRZAHIPIT-KRWDZBQOSA-N 438.488 2.245 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C2)C1 1639192427 IIIGKXLGLSCKHM-GCULGPDHSA-N 428.415 2.227 30 10 IEEE CC(C)(C)OC(=O)[C@@](C)(CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 1639781894 HFRNXUJNZDWAQR-VIKCJLSCSA-N 427.501 2.319 30 10 IEEE COC[C@]1(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CN(C(=O)OC(C)(C)C)CCO1 1641927215 TYMMECYPLUOQLA-QHCPKHFHSA-N 444.532 2.312 30 10 IEEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)C2(c3ccc(C#N)cc3)CCCC2)cn1 1645245382 VLLZNDITNVYUGT-FQEVSTJZSA-N 426.542 2.492 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3Cc4cc(Br)cnc4NC3=O)n2)c1 1646535174 NJDUNDXKYOUNAO-MRXNPFEDSA-N 437.257 2.195 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n(-c2ccccc2)c1C 1648244052 OGEQSNJAHGFQER-QZTJIDSGSA-N 426.542 2.271 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1655291730 CSOSAWAIOOLSCE-HSZRJFAPSA-N 439.516 2.363 30 10 IEEE C=CCN1CCC(NC(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)CC1 1672187977 XHYOEBZJPXQNTR-UHFFFAOYSA-N 436.459 2.460 30 10 IEEE C=CCn1cc(CNC(=O)N2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1673806493 KPUPWZVARMKHJV-INIZCTEOSA-N 434.541 2.164 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689980212 OAFZEEDBUOHXKS-KRWDZBQOSA-N 440.573 2.252 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1(N2CCOCC2)CC1 1690086187 UTYNJBDHCXJURK-UHFFFAOYSA-N 425.533 2.190 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO1 1690108104 PEYYMCGIYYZRCS-KSZLIROESA-N 433.553 2.314 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C1 1690236179 JKCGVLQTHAAAHC-IPELMVKDSA-N 431.562 2.390 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1F 1690675362 YGFXIMDOIXHWCD-UHFFFAOYSA-N 442.520 2.347 30 10 IEEE CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1cccnc1 1691579183 AUOGALFBEYBZHW-MOPGFXCFSA-N 446.515 2.489 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1695037727 FZALULAXSCTNOR-WIYYLYMNSA-N 431.562 2.381 30 10 IEEE CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)C1CCC1 1695546692 WBYZUIVCXAHHND-AYAKEVCGSA-N 438.536 2.220 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1705551724 CWCXSKCAJNGQMI-DLBZAZTESA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705564789 QESXTUINYSOQLP-GSHUGGBRSA-N 446.548 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705598844 RMMXPGWJHXEYQG-SFTDATJTSA-N 437.544 2.220 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC)c(OC)c2)CC1 1705643960 WLZSXCZYTANXTO-HXUWFJFHSA-N 425.533 2.145 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1705661891 LALIENULUVTDAP-QFBILLFUSA-N 441.557 2.119 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705735722 WIPWZPDMXNEIQG-VXKWHMMOSA-N 446.640 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705898361 JHBJYCKKDYNLLZ-HNAYVOBHSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 1705904873 AVAQNWGPXLYXFA-MRXNPFEDSA-N 449.502 2.080 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1705932745 JQIOBPGLKXPWIW-LJQANCHMSA-N 445.589 2.207 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1706259699 KKBVECJTCUQIBL-QHCPKHFHSA-N 442.564 2.487 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)cs1 1707761405 OVYOMXUBTNTTPD-OALUTQOASA-N 429.594 2.483 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CN(CC(C)C)CCO2)n1 1707814132 FHVGSMWUTOYJCS-YLJYHZDGSA-N 428.585 2.092 30 10 IEEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)n1 1707840482 HPUXTSIALLGQSQ-SFHVURJKSA-N 432.532 2.387 30 10 IEEE COC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1711477563 YIVNZNJIEUOVJQ-UHFFFAOYSA-N 436.472 2.279 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1712593955 WJDVBJFLDULGBI-IBGZPJMESA-N 438.532 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)[C@H](C)CCC 1722278479 DOCCQERIEVRYAD-IAGOWNOFSA-N 445.589 2.359 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722300384 OJEHMFDLZQKZSJ-GOSISDBHSA-N 432.528 2.237 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722321807 BXOFMGOAPDMJAF-HXUWFJFHSA-N 438.532 2.475 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722322051 NCEPRSLRVQGHOX-IBGZPJMESA-N 427.553 2.404 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1722366878 SJPJBRMJSRHUSC-FQEVSTJZSA-N 425.558 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1C 1722375055 JDGIDFHXPPZTGY-MJGOQNOKSA-N 426.542 2.094 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCCC1 1722419923 DNNKHPYONHZGHZ-UHFFFAOYSA-N 446.573 2.130 30 10 IEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)N[C@H](C)CC)CC1 1722440158 DVQNXAPCWYSBPQ-HXUWFJFHSA-N 447.587 2.341 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOc2ccccc2)CC1 1722692506 OHYHAWKIFJNMTD-FPOVZHCZSA-N 427.549 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccccc2)C1 1722719408 TZXVIQUCROVKNO-ZCNNSNEGSA-N 446.573 2.349 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1726403261 FPAHALCMLZQKOE-INIZCTEOSA-N 440.552 2.435 30 10 IEEE CN(C)c1cccnc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1729331298 GGRAMTGCERUXNL-GOSISDBHSA-N 430.516 2.247 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1729396603 GUWUREXSPNOOLY-IBGZPJMESA-N 431.500 2.222 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)cc1 1730194708 AWLGYPFGHIYFKT-QFIPXVFZSA-N 444.511 2.030 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740597982 ZFNMWWLXNLHQPO-KRWDZBQOSA-N 425.489 2.310 30 10 IEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1740860137 VYEJGZJEOZKCSO-SFHVURJKSA-N 444.561 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C)[C@@H](C)C1 1740985099 BHSIPWWKQXAUKE-HOTGVXAUSA-N 425.599 2.280 30 10 IEEE Cc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1742183398 QHLPIVCQXYUVMK-XUTLUUPISA-N 440.504 2.236 30 10 IEEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1742812996 OIWZMWDYCHMBCN-LEWJYISDSA-N 442.589 2.341 30 10 IEEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1(C)C 1743374596 CLZWLLIQKDJTCJ-DOTOQJQBSA-N 429.546 2.255 30 10 IEEE CCOC[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1747275560 HZTKYQOTADFXAC-WXVFVKJXSA-N 436.516 2.334 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)cn1 1748007046 WGWZWMNXLTVCQE-HNNXBMFYSA-N 446.284 2.357 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1748638652 SYNFAHCTTSNMEO-IYJORBIASA-N 430.553 2.322 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1CCCO 1748661777 KXXMGXGLBNNFJU-DENIHFKCSA-N 433.560 2.436 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCC1 1748913754 ZSBMULBGUWSOFZ-UHFFFAOYSA-N 430.578 2.311 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749038551 UJIDBGWZIBGOFV-UHFFFAOYSA-N 427.640 2.093 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1749042912 AYEOVNYZJHPZMC-UHFFFAOYSA-N 426.590 2.281 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCn1ccnc1C 1749532617 UUWHNXCJIILLGS-HXUWFJFHSA-N 430.516 2.499 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1 1749597421 FYWXKAAXEUYDEY-UWJYYQICSA-N 433.940 2.429 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1749676649 YFEKSKUALLIJFY-OAQYLSRUSA-N 432.528 2.452 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1750062193 VGOOOQNLQQHZPC-KZULUSFZSA-N 434.342 2.120 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCn2ccnn2)c1 1750381677 AKMHBTHLQQFWEO-INIZCTEOSA-N 432.410 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccc(F)cc1 1760211783 MFYWCPGVFSTGCM-DNQXCXABSA-N 440.519 2.440 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H]2COCCO2)CC1 1760261048 JOSJRMCGIHYQBK-NRFANRHFSA-N 439.560 2.035 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1760262456 OTUOTORACIESQG-UHFFFAOYSA-N 443.617 2.146 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)CC1 1760326592 YJPKGTJXOFWIKG-SIKLNZKXSA-N 426.565 2.014 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCOCC2)C1 1760352570 SBSMYFHUPFLROL-UHFFFAOYSA-N 435.569 2.175 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOC(C)(C)C1 1760380922 SLMRXIUDIKPBSE-IRXDYDNUSA-N 427.977 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760518974 NNEJOIOJTIQCPV-MRXNPFEDSA-N 441.561 2.488 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760534140 ZBLQFOMOPBONDG-PKOBYXMFSA-N 425.533 2.452 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1769475582 LDMKFTBTJCEDIM-AVRDEDQJSA-N 427.505 2.007 30 10 IEEE COCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1769655584 NDXOXRJPBREBSH-FQEVSTJZSA-N 449.556 2.415 30 10 IEEE COCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769737625 IMXDCTNQHIXVFT-SFHVURJKSA-N 426.521 2.079 30 10 IEEE CN1C[C@H](CO[C@@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)CC1=O 1851325665 PVPXPDGFPGIIPN-MJGOQNOKSA-N 428.510 2.274 30 10 IEEE C=CCN1C[C@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccccc3F)cnn2C)CC1=O 1852379241 QUNXZVGNAXKTHC-MRXNPFEDSA-N 437.479 2.147 30 10 IEEE Cc1nn([C@@H](C)C(=O)N2CCO[C@H](C#N)C2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 1852645796 BOTOFSIHPZYTCT-HTAPYJJXSA-N 447.495 2.233 30 10 IEEE C=C1CCCN([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)CC1 1854738666 WIYFDWAXAUJQLR-HXUWFJFHSA-N 431.558 2.254 30 10 IEEE CC(C)CS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1855611244 QKTLUIGWWCQBGH-FQEVSTJZSA-N 431.558 2.174 30 10 IEEE COc1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1F 1870095738 UJGMSUDOSQDVOI-UHFFFAOYSA-N 447.448 2.164 30 10 IEEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870107544 NOAJDZXMBCQZGY-UHFFFAOYSA-N 432.415 2.352 30 10 IEEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870971424 GAKKUNIKWMXQOD-UHFFFAOYSA-N 431.489 2.187 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688558 FKNNZPJJYFCZTM-UHFFFAOYSA-N 447.543 2.401 30 10 IEEE COc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)c(OC)c1 1874377532 AUHKKNQGURQBPG-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2/N=C/c2ccncc2)cc1 1874431704 VQAMONBHCIVVSM-WYMPLXKRSA-N 437.529 2.485 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)cnc2C#N)[C@H](S(C)(=O)=O)C1 1877652718 JWKVOYZAPBOQAO-ZIAGYGMSSA-N 445.339 2.160 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(Oc2ncccc2C#N)CC1 1891148878 VZSDMVHCYJNBJR-MRXNPFEDSA-N 425.514 2.179 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)COc2c(F)c(F)c(F)c(F)c2F)C1 1892021631 VMANACCQFBHJCJ-VIFPVBQESA-N 428.317 2.493 30 10 IEEE C=CCN(CCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1985018066 PFKJFLWBHQKHLL-JKSUJKDBSA-N 427.542 2.144 30 10 IEEE C=CCN(CCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C(=O)OC(C)(C)C 1986132065 KACRIQGFOWHNHO-HOTGVXAUSA-N 427.542 2.286 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2011660059 IFAJKMSQEHDMFC-CQSZACIVSA-N 441.525 2.332 30 10 IEEE C=CCC1(NC(=O)C2=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022920471 OWBQZOVWORIKFH-HOTGVXAUSA-N 437.537 2.253 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)COC1 2247818466 XEQGFMPHXRLWSA-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2250289815 PXBZNKAJVJIORS-OCCSQVGLSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255601393 FYRXCPULCYYYIX-HDJSIYSDSA-N 434.346 2.275 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2255628188 DYIWVJYFUKNVLQ-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255649653 KZSZVBMVFIJEAX-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE CCn1cc(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255818151 HHFRBKRMVNOQSG-CQSZACIVSA-N 436.362 2.093 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255826050 JOQFLBPZSXMUBL-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE C[C@H](CO)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256019238 XUPUXWWONFUUIQ-OAHLLOKOSA-N 427.306 2.420 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2266747396 MMCZNHZKBZZKPH-CAJLXGCNSA-N 447.341 2.392 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2266992326 RTCUVIVSZJVYCF-IBGZPJMESA-N 439.365 2.091 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267004129 ZYCOCOAFWQBSHX-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267013817 PKRKLWDPMLPPDY-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267139611 IWXUDYDCOOOBET-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE CC(C)[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2267139742 KOVWBUOUWGUGFH-PBHICJAKSA-N 448.373 2.473 30 10 IEEE CCc1nn(C)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267147260 QDVVAESTZPGGJO-AWEZNQCLSA-N 448.373 2.021 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267494707 VFYOJPKJBZQCCL-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267511030 VXMUTJYXXCSRNG-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871003 KUABWDAGTPYWSA-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268644158 NRCIPGQXGLDFMO-LSDHHAIUSA-N 447.341 2.344 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268653476 NMSPMBLEDKVDIA-RDTXWAMCSA-N 446.353 2.102 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268790742 VTZZYAJRFMNEMK-SFHVURJKSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)C2)C1 2268903863 RMOZQMFFSOJKIW-PIIMJCKOSA-N 447.385 2.088 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2271953644 YJHCONRBDDUYOM-HOCLYGCPSA-N 448.373 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2312856551 ZRDHBQOVYPJRDV-CWRNSKLLSA-N 429.326 2.118 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2317161266 LLOGXSVRTSQJTL-UHFFFAOYSA-N 431.342 2.181 30 10 IEEE COCCN(CCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)C(=O)OC(C)(C)C 2322293867 MBONPKGJRNJDDE-UHFFFAOYSA-N 439.337 2.237 30 10 IEEE CCCOc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1Br 2323044427 LDWQSGFWDFMCAT-UHFFFAOYSA-N 429.384 2.368 30 10 IEEE COC(=O)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCC(C(N)=O)CC3)C2=O)cc1 2324107355 MLPIAWCUMIJZOP-UHFFFAOYSA-N 436.464 2.492 30 10 IEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337193764 GUKREBNFTDRHSV-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337201541 WHVLCLLLZKPDDP-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC1CC1 2337201896 AXSVIWQGLKCJGU-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339442126 BWSKKHBWCXBJDF-ZWKOTPCHSA-N 443.353 2.322 30 10 IEEE C=CCNC(=O)CN[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376460796 DACYIMWWJFITAA-LBPRGKRZSA-N 426.130 2.465 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 24242483 VAUPEYJPVICUHZ-LSDHHAIUSA-N 427.376 2.479 30 10 IEEE COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3C#N)C[C@@H]12 169681809 JYTRELRCKFLHPT-REWPJTCUSA-N 449.511 2.487 30 10 IEEE CCOC(=O)O[C@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](/N=C\N3CCCCCC3)[C@H]2SC1(C)C 256010837 XHKFBADIZIDYBU-ADZHZXBVSA-N 441.550 2.384 30 10 IEEE COc1ccc([C@@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)c2cccc(S(C)(=O)=O)c2)cc1 409744281 JIEKYMALSHQFJE-JLTOFOAXSA-N 439.497 2.029 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CCC1 430987816 IZNLLVQANQCZIS-UHFFFAOYSA-N 431.473 2.494 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C 460941159 WGKFZULRDVNCNM-XLIONFOSSA-N 441.532 2.444 30 10 IEEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469989063 DFTQGGBHSQIHTH-AWEZNQCLSA-N 439.343 2.467 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 476175607 VOTRLFXHEWUQSU-LJQANCHMSA-N 443.550 2.435 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 477034722 BMHNODMTVBOYID-UHFFFAOYSA-N 432.477 2.115 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(-c2ccncc2)cs1 481544619 ZUNBZJDLPQDHOB-CYBMUJFWSA-N 427.511 2.060 30 10 IEEE CC(=O)Nc1ccc(C=c2sc(=CC(=O)C3CC3)n(Cc3ccccc3C#N)c2=O)cc1 502466901 JAPKQZFVVQPYCD-UHFFFAOYSA-N 443.528 2.377 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 504378729 QYNNDPHRELNWAA-QFIPXVFZSA-N 435.524 2.330 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 508824632 IFCIRHCUYCSWQF-MRXNPFEDSA-N 427.509 2.076 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 508875004 SWGRXALWAHNZJX-PNLZDCPESA-N 436.520 2.270 30 10 IEEE COc1ccc(CN2CCN(CC(=O)Nc3sccc3C#N)CC2)c(OC)c1OC 511053077 SEKQMRLZJNMTFH-UHFFFAOYSA-N 430.530 2.402 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 522675623 GUNYBBJYGLHBNU-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(Cc3nccn3C)CC2)n(-c2ccccc2)c1C 533277739 MIARMFRHROPDEY-UHFFFAOYSA-N 431.544 2.456 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC1 535908172 DBXMHRVLNYNXEK-MRXNPFEDSA-N 432.527 2.013 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)nc1C 546190491 WAUTVSRBQYSUQL-CQSZACIVSA-N 428.518 2.488 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 553501932 SLYLHLFGCOSAFE-AWEZNQCLSA-N 428.352 2.196 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 554705364 GCEAAQHNLQSBMY-UHFFFAOYSA-N 433.442 2.075 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 609458707 IFJBMOKOAMSRJD-MRXNPFEDSA-N 436.559 2.126 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@H]2CCCO2)c1=O 612193639 XIPROXWPKWRUPL-LJQANCHMSA-N 446.528 2.483 30 10 IEEE C#CCN(C(=O)c1ccc(OCc2cccnc2)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 729331423 CRGDJRUNZQEOJL-LJQANCHMSA-N 428.510 2.322 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1C 730712409 JZLSJGIHSJWVEO-SFHVURJKSA-N 429.546 2.491 30 10 IEEE Cc1ccc(N2CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)cc1 731184071 BQZCRDCTTCTYEL-UHFFFAOYSA-N 426.542 2.458 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(-c2ccncc2)cs1 731627176 SPFUWWPRKKSKBM-UHFFFAOYSA-N 441.538 2.340 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 735309176 IIEBYYXQCLJCKO-UHFFFAOYSA-N 434.949 2.473 30 10 IEEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)COC(=O)[C@H](O)C1CCOCC1)CCCC2 740970604 ASYDHZJFTBMAAT-JOCHJYFZSA-N 437.496 2.497 30 10 IEEE N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(I)cc2)cn1 746423802 ZTTDYEWTIYBAHX-OAHLLOKOSA-N 449.252 2.313 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3OC)CC2)cc1 747429115 ZSOQCGHPXCRNBO-UHFFFAOYSA-N 427.526 2.006 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CS(=O)(=O)c3ccccc32)C1=O 747785815 BQKPGKGWQIAWMV-HZPDHXFCSA-N 447.513 2.422 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)n1 750421678 NCHMTXWEJAVKHN-LLVKDONJSA-N 447.274 2.223 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCS2)C1=O 757371315 NMANKGVLYZQQRV-FUHWJXTLSA-N 445.614 2.453 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC1(C(=O)O)CCOCC1 757472830 BOJZXOCASWPEJO-UHFFFAOYSA-N 448.475 2.279 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)CC2)n1 760552221 PARBYFDTBPHBAR-XMMPIXPASA-N 430.512 2.206 30 10 IEEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1 766416316 PFDSXTZMTYLKKL-IBGZPJMESA-N 440.573 2.239 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)NS(=O)(=O)c1cnn(-c2cc(C)ccn2)c1 766881976 IQHRRQHTCKSNMU-UHFFFAOYSA-N 428.470 2.268 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCC(=O)NC2CCN(C3CC3)CC2)cc1 769842778 RWHNZUOEPHSHPU-UHFFFAOYSA-N 445.564 2.091 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1)c1cc[nH]n1 772150491 CIAWOMQIDSJGAG-MRXNPFEDSA-N 439.516 2.136 30 10 IEEE C#CCN(C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 774059386 VVZUSSVDXLDZEV-HXUWFJFHSA-N 425.510 2.271 30 10 IEEE C#CCN(C(=O)N[C@@H](C)Cc1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 774261014 DXNXATNFRKNFQH-SWLSCSKDSA-N 431.327 2.351 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 779612960 LJOCUSXJJFCSOM-UHFFFAOYSA-N 429.473 2.446 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 780977852 IPVBKXXCFQUXAV-SFHVURJKSA-N 440.522 2.399 30 10 IEEE COc1cc(C)c(/C=C\C(=O)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)c(C)n1 781548819 IQSRMVMMNFFSDU-KTKRTIGZSA-N 438.527 2.329 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CCN1C1CC1 787492757 HILIWBNCMHLFJO-OAHLLOKOSA-N 427.411 2.289 30 10 IEEE Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCCNc1ncccc1C#N 787775730 QVOSMTMLBIBSJI-UHFFFAOYSA-N 430.306 2.177 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)n1 788821337 UZUCYLDMOCKKSZ-UHFFFAOYSA-N 433.512 2.241 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@H]2CCN3CCC[C@@H]3C2)C1=O 790748706 PLSLSSJPVJRWAS-SQNIBIBYSA-N 449.646 2.374 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 794068234 BJLCTKFYONMBIF-NEWSRXKRSA-N 436.892 2.094 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1C[C@H]1C1CC1 797424984 GAESVJPJXLAVAB-KVSKMBFKSA-N 430.574 2.493 30 10 IEEE CCOC(=O)[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(OC)c(Br)c1 798849786 ATZVEEIWEHCHRB-ZUZCIYMTSA-N 437.250 2.329 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCc2nn(CC)c(=O)cc2C1 800779917 DUZCQUBPTALNFD-UHFFFAOYSA-N 449.515 2.030 30 10 IEEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)n1 807931890 YEFRNQISUWFWTO-HNNXBMFYSA-N 436.900 2.408 30 10 IEEE COc1cc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1OCC(N)=O 875041861 DECKMDFAMVOMRX-HVPFBLEYSA-N 431.489 2.035 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1136313239 JBDKLFPHBQXUQO-GDBMZVCRSA-N 437.338 2.492 30 10 IEEE C=CC[C@@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCCN1C(=O)OC(C)(C)C 1157991561 IDPOWNIXZSMJGF-MCFFVMPBSA-N 439.553 2.429 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(I)ccc1Br 1159641069 BIUCKQFZNAXIJH-JTQLQIEISA-N 439.047 2.164 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CN3C(=O)C(F)(F)Oc4ccccc43)C2)nc1 1178460334 HQBOSICRGOJMOB-OAHLLOKOSA-N 427.411 2.375 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C2 1216704768 FPRVHSGUHRNASJ-KGLIPLIRSA-N 445.501 2.182 30 10 IEEE COC1([C@H](C)NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCOCC1 1230218327 NCLRHALVXQLZBJ-HNNXBMFYSA-N 444.511 2.281 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286386619 DVZQGRTZGBYPBQ-ZWKOTPCHSA-N 445.564 2.053 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1286501409 XDIUVUNOAAPUMR-KRWDZBQOSA-N 447.992 2.494 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286592647 OOFOFFRIDBRHIZ-HRCADAONSA-N 449.508 2.277 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1286774481 QWMOEHOZTOWBDL-KRWDZBQOSA-N 428.924 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286817955 RDKJOCDZIXUOJI-MRXNPFEDSA-N 447.609 2.126 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286833081 USLRLPLSCJDCCF-VQIMIIECSA-N 426.608 2.454 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286964496 BNCGOCUQBNPNKB-DOTOQJQBSA-N 443.552 2.392 30 10 IEEE CC(C)Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1287477491 ZJVNJOAYKNLUGS-QURGRASLSA-N 441.580 2.068 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1288775069 BSMLRCNUHQXVRR-YOEHRIQHSA-N 434.591 2.292 30 10 IEEE COC(=O)C[C@@H](C)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1294502272 KKBYRCAWDMONKU-QGZVFWFLSA-N 430.354 2.004 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC(C)(C)C 1298325148 FRGKEAHPQJMDPP-UHFFFAOYSA-N 437.548 2.327 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1300373269 UOPAWRBAWYXRLZ-UHFFFAOYSA-N 442.539 2.010 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300390865 BKGGEWOVCFQUEZ-INIZCTEOSA-N 448.545 2.008 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(=O)NC)CC1 1300391507 PCOPTLWUCOOQHU-UHFFFAOYSA-N 443.573 2.115 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCOCC2(C)C)CC1 1300700892 APXWVWGFCHOPQA-UHFFFAOYSA-N 436.604 2.043 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300802176 JLNDAGKBGPNCNZ-DENIHFKCSA-N 428.558 2.367 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](C)C1 1300876247 RQTQCIKZFGMSTB-FJIDUMEYSA-N 425.599 2.496 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301245286 HBJMREIDLFETCK-JOCHJYFZSA-N 442.520 2.254 30 10 IEEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1301397136 NVIPRDYYDZBYIV-INIZCTEOSA-N 449.602 2.273 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCNc2ccccn2)cc1 1302990081 YJZXACPZAVTEQH-LJQANCHMSA-N 430.516 2.416 30 10 IEEE Cn1ccnc1[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1F 1304756685 BHFZTAWRNZLHGJ-FQEVSTJZSA-N 444.463 2.391 30 10 IEEE C[C@@H]1CCCN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1305017097 CALPTUAPUAKXMF-MJGOQNOKSA-N 448.637 2.431 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1305114034 BXRKOIALNNKAGZ-ZDUSSCGKSA-N 438.442 2.260 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1305743359 YNHDEJIPXIOENW-XMSQKQJNSA-N 430.553 2.275 30 10 IEEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)cn1 1313513396 FKIOWATZHPLIGN-IBGZPJMESA-N 431.500 2.360 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313662777 CUPVQSBPGRXRJO-AZUAARDMSA-N 438.580 2.106 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C12CCC2 1314254706 KKEPEDVZZXUVQJ-ZNWLFMFGSA-N 428.537 2.151 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1316437898 RVZTVHHBSZRVJU-SJORKVTESA-N 439.545 2.137 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)C1 1337720453 BUUMOIUAYLDDLN-OAHLLOKOSA-N 425.514 2.126 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1349039690 BHCUFDQNSIWEBC-INIZCTEOSA-N 448.372 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 1358870269 JHAPGWGZPLRVCW-CQSZACIVSA-N 438.454 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN(C(C)=O)C1 1358975726 CAXRPNUPHSDPFC-NRFANRHFSA-N 441.539 2.462 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2oncc2C1 1359050791 COKMVFXHTCAXAX-UHFFFAOYSA-N 443.554 2.266 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359118540 OOYRFOHDTNORSZ-UFRUDQCGSA-N 445.589 2.369 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359125083 OWPJPKAFDKRFOV-QFIPXVFZSA-N 443.552 2.020 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1359294682 BAKWSPRYQNCTJO-QGZVFWFLSA-N 435.513 2.153 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCCN(CCC)C(=O)C1 1359295283 WRHBRHLDDFDECT-UHFFFAOYSA-N 436.516 2.442 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCC(=O)N2)C1 1359324100 CQAJCTJMGDVGTN-QUCCMNQESA-N 425.533 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1359334940 VHVKHIXWIKRNNR-OALUTQOASA-N 441.557 2.422 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1359601876 LXSYEPOVNTUBPZ-GOSISDBHSA-N 436.520 2.323 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(C)CN(C)C1=O 1359849555 LMWIGPCPEDMHOI-HSZRJFAPSA-N 439.539 2.292 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1360104774 WVCCFGNPNWNLBS-FQEVSTJZSA-N 438.536 2.370 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NC1(c3ccc(C#N)cc3)CCOCC1)C2=O 1438363662 HOOMURZXGITRBQ-XHNJZIHCSA-N 438.528 2.427 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCCN4CCSC[C@H]34)C2)C1 1455784556 CMTUBKFWZFPOBV-JPRIXKOTSA-N 434.606 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCN(C(=O)CC#N)CC2)CC1 1465872563 QWNHXGFFLOLIKU-UHFFFAOYSA-N 429.521 2.258 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)cc2C1=O 1470196462 VWIMOCDJPAHLGU-UHFFFAOYSA-N 445.516 2.424 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1497089385 WKMSKVNRZPBFRU-HNNXBMFYSA-N 440.426 2.477 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC[C@H]2COCCO2)cc1 1504307997 YPYKXHFIHDHGAB-FQEVSTJZSA-N 427.505 2.411 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)F)CC1 1505319942 PEEACOPYFOFIHM-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507556722 DCQBMJOSWARILJ-IBGZPJMESA-N 431.500 2.093 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)N1CCOCC1 1507678265 UPVKBEPVLAFZOF-QGZVFWFLSA-N 430.578 2.011 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507959051 LLLOVDOIAMVLNL-LJQANCHMSA-N 429.521 2.267 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1508080876 FGLZGNRJUPSQAH-UHFFFAOYSA-N 445.527 2.171 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1508080930 UCYJZPLAFDORMP-DNVCBOLYSA-N 439.495 2.086 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](CC)OC)C1 1508117728 NWUJUQFJEFANKO-DLBZAZTESA-N 448.593 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1508133924 OZUZWLNURCMQTJ-QFIPXVFZSA-N 441.557 2.424 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1510132806 JCYGVLUHMYIGAR-JTDSTZFVSA-N 447.561 2.023 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1511972908 AHJXQHGWNMGKLP-LPHOPBHVSA-N 438.532 2.211 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)C1 1517478073 HXVNWGTYFIOKHM-UGDMGKLASA-N 442.589 2.326 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)n2)cc1 1518329467 DIPBJILYTJDGLW-OAQYLSRUSA-N 440.483 2.069 30 10 IEEE Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(S(C)(=O)=O)c1 1532519108 FQKWIMDPXYOELO-KRWDZBQOSA-N 440.481 2.114 30 10 IEEE CCS(=O)(=O)C1(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1533038664 UTELYVMVHPAZQW-UHFFFAOYSA-N 432.502 2.106 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1536018023 ILXZGQOKESBNCX-UHFFFAOYSA-N 426.523 2.484 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1539097926 ZRLCIGKXOLPEPT-UHFFFAOYSA-N 426.521 2.227 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539119878 OFUOTHGKUNYDAE-GOSISDBHSA-N 425.537 2.101 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)[C@H](C)CCC)CC1 1539444925 YDGMJOLJQGIZCN-GOSISDBHSA-N 426.540 2.392 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C)c(C)s2)CC1 1539481306 KTGQJMLNKYKQCI-SFHVURJKSA-N 442.589 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN(C)CC(F)(F)F)CC1 1539482623 VSPZPHMTXODIJU-UHFFFAOYSA-N 440.514 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1 1539612612 OIEPSPLHPLNIPL-UFYCRDLUSA-N 447.580 2.126 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540005325 KHESKIZHCMCRLV-WOJBJXKFSA-N 430.597 2.271 30 10 IEEE COc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728578 MPMSJWNPOBRNEU-UHFFFAOYSA-N 435.452 2.192 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)cc1 1540871970 YTCDOXVOVJESHR-OAHLLOKOSA-N 434.338 2.483 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540874428 GLWVNXPJOKLYEG-FQEVSTJZSA-N 446.515 2.106 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCN(C)C2)C1 1540895054 KQSRSEBCTIACJH-GBXCKJPGSA-N 441.576 2.322 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1540901330 ZZLYKSVILYZIOT-LJAQVGFWSA-N 447.586 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)CC[C@H]1C 1540901397 BZCLLVFGTDYDTJ-HUUCEWRRSA-N 435.550 2.231 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@@H]1CCOC1 1541472059 WMYSLNPWQMZUAY-HXUWFJFHSA-N 439.564 2.265 30 10 IEEE CC(C)N(C)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1541608512 YJHSOZPQOFGFID-RTWAWAEBSA-N 435.576 2.484 30 10 IEEE CCOCc1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1548076396 QFPCMYQCRGHFFJ-IWKHNONTSA-N 440.504 2.244 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC(=O)N1 1555545989 MNDRSYDQJRAARU-WOJBJXKFSA-N 438.532 2.323 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3Cc4ccc(C#N)cc4C3)CS(=O)(=O)[C@H]2C1 1557206507 HWKAXCIQBQDWPO-OTWHNJEPSA-N 445.541 2.071 30 10 IEEE N#CCc1ccccc1CC(=O)N1CCC(n2nncc2I)CC1 1557499969 LGYDPSSZPNWUGH-UHFFFAOYSA-N 435.269 2.355 30 10 IEEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C1CC1 1562188458 OPVZMQWQWVYMNU-UHFFFAOYSA-N 446.573 2.327 30 10 IEEE C[C@H](CC(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1586123340 FBSYTTSLUWQNKR-KDOFPFPSSA-N 446.960 2.330 30 10 IEEE C#CCCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1587793868 WFVCYEHQBRSRID-XMMPIXPASA-N 449.559 2.327 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1588029035 CMDFLHXFHARNDO-IBGZPJMESA-N 435.638 2.324 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCOC(F)(F)F)CC1 1588913249 DPJQTXPFJYCZQV-UHFFFAOYSA-N 436.438 2.232 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOCC)CC1 1589516198 YALBQLBWXQIPNN-CTNGQTDRSA-N 426.565 2.480 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)CC1 1589559574 SUWOFPMTJVBLLD-RXVVDRJESA-N 430.574 2.427 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1594963886 ZEFIZBPLCMIRBO-APWZRJJASA-N 445.589 2.379 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1595120624 WSYFEUZQVWERFI-UHFFFAOYSA-N 432.528 2.315 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2nc(O)c(C#N)cc2C)CC1 1595509824 LNHPMFVJKMTTAT-SFHVURJKSA-N 428.876 2.293 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCOCC2)C1 1595737560 CSOSGSWNVUSZFV-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1595871086 FORIPRXVTITFAS-AWEZNQCLSA-N 439.545 2.180 30 10 IEEE N#Cc1cc(N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ncc1Br 1611950646 VMXXELWIUMXAOU-OAHLLOKOSA-N 444.337 2.423 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 1612911222 LZZKWBJIFZCSLA-RTBURBONSA-N 437.592 2.456 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@H]1C[C@@H]1C 1613585345 CACIOWKOMAUIKP-KSSFIOAISA-N 439.568 2.018 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1616894388 JLTQIIYBYVLNRW-UHFFFAOYSA-N 441.513 2.180 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(OCC#N)c1 1625875432 CBIOGYDSOBXBGA-IBGZPJMESA-N 445.497 2.257 30 10 IEEE COCCN(CCC#N)C(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1628006313 QSKFEHQZXWPGBT-GOSISDBHSA-N 430.505 2.467 30 10 IEEE CCOC(=O)[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](O)c1ccncc1 1631259607 ZFMHGDHOIKPHAR-SFTDATJTSA-N 440.475 2.090 30 10 IEEE COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1cccc(C)c1 1633115031 NZWYQCTWFQWLND-INIZCTEOSA-N 432.473 2.193 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC([C@H](O)c3ccnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1633708196 PGWNHFOJARWIFE-CVDCTZTESA-N 430.549 2.485 30 10 IEEE C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1636185576 LXTLJMAVADLKBG-INIZCTEOSA-N 429.521 2.382 30 10 IEEE C[C@H](Oc1c(I)cc(Cl)c2cccnc12)C(=O)N[C@H](C#N)CO 1636605585 XDZJIBGEQSACKA-DTWKUNHWSA-N 445.644 2.261 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)NCC(=O)N(C)OCC(F)(F)F)ccc1OC 1637109395 CDACXRUNSXSOCO-CYBMUJFWSA-N 432.399 2.128 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(OC)c(OC)c3)C2)cc1 1637559834 YWMKBVAYQMOEDQ-NRFANRHFSA-N 446.525 2.382 30 10 IEEE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639783028 UOUYFGMEBOLDKZ-YUMQZZPRSA-N 449.254 2.386 30 10 IEEE Cn1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1-c1ccc(Br)cc1 1639821855 MQMWFDABJANABC-IFXJQAMLSA-N 448.342 2.465 30 10 IEEE Cc1onc(CC(=O)N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1C#N 1641926951 KLJSQDRXQIBXRN-NRFANRHFSA-N 426.477 2.041 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC(Nc3ccccc3C#N)CC2)CCC1 1644004230 KSHXGVXAXNJYEB-FQEVSTJZSA-N 434.606 2.436 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC([C@@H]4COC(=O)N4)CC3)C2)C1 1648093855 KTCKYNUUKGBSHJ-IZCOPSDLSA-N 432.521 2.120 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2cnc(I)c(O)c2)C1 1648719076 CQPHVXPCAFKIFK-QGZVFWFLSA-N 434.237 2.484 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2ccc([C@H]3CCC(=O)N3)cc2)c(=O)c1C#N 1650982627 JQRDGSKNUVFXCA-OAHLLOKOSA-N 429.274 2.434 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)C1 1651763387 DIHMAIXPMQTQRM-OAHLLOKOSA-N 427.364 2.450 30 10 IEEE CCC1(N(C)C)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1654433653 LWULDSQNNSKTFU-UHFFFAOYSA-N 440.548 2.261 30 10 IEEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1661305500 UMUHUVOGDZKDOJ-QGZVFWFLSA-N 438.596 2.347 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1683289324 SVDNLAYZHAUFPM-OAQYLSRUSA-N 436.560 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN(C(=O)NCC3(C#N)CCOCC3)CC2)CO1 1685741455 SFDDIVYWWWNGSW-QGZVFWFLSA-N 436.553 2.412 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689904182 NOWITMDFCDLNIT-LJQANCHMSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1690046713 FZAKLNZGIMEUQK-OAQYLSRUSA-N 445.479 2.163 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1690528243 YMNUKCHMFPHGFU-HKUYNNGSSA-N 433.578 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690715323 IWSNPTPFEOIMTH-ZWKOTPCHSA-N 447.609 2.288 30 10 IEEE CC(C)COCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1692452795 CYWVZVTXOZAFML-FQEVSTJZSA-N 439.564 2.438 30 10 IEEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1692632151 FGDRHQXLIVUFOO-INIZCTEOSA-N 448.618 2.428 30 10 IEEE CO[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1697116080 AAZIFQUCIHSZFJ-SFHVURJKSA-N 434.548 2.297 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCOC[C@@H]1C 1697605722 BRCGQJOGXXAMKB-ROUUACIJSA-N 428.537 2.182 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1CCn1cncn1 1698059981 QFMILEFPLFQOKE-UHFFFAOYSA-N 445.325 2.366 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1698248022 LOCRIOPRUQQMFH-SFYKDHMMSA-N 440.548 2.188 30 10 IEEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCC1 1698309690 SFJLMKIICCTVAJ-UHFFFAOYSA-N 447.561 2.170 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@]2(O)CCOC2)c1 1698485000 RLANYJUIELBBQO-LJQANCHMSA-N 430.306 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1705490853 RZZSRSHFRFPMGJ-MRXNPFEDSA-N 430.516 2.305 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705499108 LLCHHSPXNJQYES-MJGOQNOKSA-N 428.606 2.331 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705507461 BZLSRGGSDUTHCO-INIZCTEOSA-N 426.487 2.390 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705540034 LEUCGYRPMRIEPA-PMACEKPBSA-N 444.580 2.143 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCCC1 1705622371 GSTNQPDZRYLLAN-UHFFFAOYSA-N 447.543 2.467 30 10 IEEE C=C1CCN(c2nnc(CC3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705770404 DOVOUWAWFNFDIE-UHFFFAOYSA-N 434.566 2.275 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)CC1 1705780815 HGNYQQXBVLNSEN-MGPUTAFESA-N 425.599 2.232 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C 1705914056 FNRVBNOWBUOOQO-UHFFFAOYSA-N 440.592 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)C1 1705937307 POMKIKRFALTSNY-UHFFFAOYSA-N 448.589 2.288 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1c1cnn(C)c1 1708704114 AITDUSJGBHVBOY-FUHWJXTLSA-N 441.584 2.195 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1709444429 VZSRHMCUMNNWLZ-QHCPKHFHSA-N 432.532 2.484 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](F)COC)c2ccccc2c1=O 1710301726 MKTVXMLEOCFAKJ-LSDHHAIUSA-N 427.484 2.398 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1712543060 KOUVDVUGXGGIKQ-UZUQRXQVSA-N 440.548 2.474 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722452339 FBBGJTUQFUPGOA-KRWDZBQOSA-N 449.621 2.337 30 10 IEEE CC(C)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723187137 PKYZVWURPSWHBR-XDOYNYLZSA-N 441.580 2.383 30 10 IEEE Cc1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1724789965 FDXSMMNCOWWTTG-UWJYYQICSA-N 446.577 2.406 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)CN2CCCC2)CCOC1 1728794090 FNKHRBROLAYVAF-FCHUYYIVSA-N 434.560 2.494 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)c1 1730209823 DWMCXDCQKDJUPP-JOCHJYFZSA-N 435.463 2.221 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740654741 TXMOIXKTSJOCEQ-PMACEKPBSA-N 425.556 2.286 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOC(C)(C)C)CC1 1740692977 RGBJZLNBRBVGKA-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740806560 AMWCIOZWNJTZHC-UHFFFAOYSA-N 439.951 2.456 30 10 IEEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740828659 SGEVRYJDNDKFDD-JOCHJYFZSA-N 430.574 2.159 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740852075 IFMFXPZDFHCCTI-CVDCTZTESA-N 449.596 2.262 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1740995432 LURYSUJRQMWGGR-UHFFFAOYSA-N 431.566 2.196 30 10 IEEE CCN(CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C)C1CC1 1746332034 ARPSHDBOTPOJQW-KRWDZBQOSA-N 437.596 2.437 30 10 IEEE COc1cc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1748528140 GWXWPQYCVCFJOA-SFHVURJKSA-N 447.499 2.214 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748667076 MXSRRBJTXKZRIP-BBWFWOEESA-N 442.564 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1748671697 MNOQLWQNOMXBTF-RXVVDRJESA-N 439.560 2.484 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1748829733 IMNMEAXGSUXPOK-XMMPIXPASA-N 445.527 2.021 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749039737 ZVKRPLCQBRVMAY-MJGOQNOKSA-N 441.605 2.026 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1749068082 CIOBVZJXMFWNIA-DENIHFKCSA-N 442.541 2.384 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCCS1(=O)=O 1749075834 IDWCPRSSQOTSLV-IAGOWNOFSA-N 447.561 2.429 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1749234098 AGZIENMILFIAPB-UHFFFAOYSA-N 443.596 2.473 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)CC 1749528266 JULJVXFWFWWMSQ-UHFFFAOYSA-N 440.548 2.194 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CCc1nnc2n1CCCCC2 1749830208 GJQIVAMDCFNNOE-SFHVURJKSA-N 442.568 2.447 30 10 IEEE CC1(C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1751298186 QAKOABLNTLGSSY-KIJUOZEOSA-N 446.577 2.030 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOCC1(C)C 1760125154 WZYJSPDDIZLNPR-SFHVURJKSA-N 427.549 2.434 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760140648 VFBNHMYQXYLICO-UHFFFAOYSA-N 438.507 2.332 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760141330 QOEJLNWYBCUBKF-SJORKVTESA-N 440.573 2.036 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760179523 IBMXAVGRQQPRCX-RTBURBONSA-N 427.549 2.434 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1760187792 GTFKELOGWZQZCE-HNNXBMFYSA-N 430.559 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CCOCC1 1760201985 PSNNIIJMKJUBON-UHFFFAOYSA-N 430.512 2.082 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCOC[C@H]2CCOC2)CC1 1760263137 PCJWRLBWLCUIIE-HXUWFJFHSA-N 429.590 2.129 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc([C@@H](C)O)cc2)CC1 1760396574 FYOXQBHJJVWVHG-JKSUJKDBSA-N 433.578 2.392 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760441928 ZQEFTXNKKXKRAX-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CCN1CCN(C(C)=O)CC1 1760500226 VVRBZFMOQRMPKS-UHFFFAOYSA-N 437.548 2.265 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)C1 1760535325 ORWWIGUWUCLFJD-RDJZCZTQSA-N 437.541 2.165 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC(C)CC2)C1 1760549489 FSMDYZHKQAIGAM-PMACEKPBSA-N 430.597 2.302 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760559897 VDYXYELTCVEWBS-FIKGOQFSSA-N 435.594 2.206 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccccc3C)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1769878945 DOLMRMUYRGIHDU-VGSWGCGISA-N 426.496 2.190 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCc2ccccc21 1771222516 JCDANZJFVDPETI-NLWGTHIKSA-N 440.548 2.182 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 1853547285 DUXYQJHAZNJNLP-UHFFFAOYSA-N 440.548 2.446 30 10 IEEE C[C@@H](CCC#N)N1CCC([C@H]2CC(=O)N(C(=O)c3ccccc3S(C)(=O)=O)C2)CC1 1853943969 SYTRTTPKQSSYTR-WMZOPIPTSA-N 431.558 2.483 30 10 IEEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)C(C)(C)C2=O)c1 1854458266 KGWSAHGZTKFWBR-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1857488375 ODGSLEIFBUOPEO-MRXNPFEDSA-N 437.949 2.456 30 10 IEEE N#Cc1cccc(NC(=O)c2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccn23)c1 1858241843 HSLCOQNCTDAWMG-UHFFFAOYSA-N 431.452 2.437 30 10 IEEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861175684 NLYQXXPHNUDZRG-OAQYLSRUSA-N 442.604 2.249 30 10 IEEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870692099 BHKIIHVXNCYQJN-UHFFFAOYSA-N 429.492 2.438 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc3nc[nH]c3c2)cc1=O 1871009489 YLOOONKPVKLTQI-UHFFFAOYSA-N 437.481 2.044 30 10 IEEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c(OC)c1 1874279506 CIFXMCXNDCOKAL-HJGVYBFFSA-N 447.561 2.376 30 10 IEEE COc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCC(N)=O)cc1O 1874316668 FHWSRJZRTVKMMF-YDZHTSKRSA-N 441.513 2.464 30 10 IEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCCN(C)C)ncnc21 1875229439 ZBNBBTSPQKXHRU-UHFFFAOYSA-N 448.575 2.338 30 10 IEEE C[C@@H](N)C#CC(=O)Nc1cc(I)cc(I)c1 1902006441 NCVXVWJPGZMVHO-SSDOTTSWSA-N 440.022 2.185 30 10 IEEE CN(C)CCN(CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)OC(C)(C)C 2010548481 CTJLCBPHAIDDSB-FQEVSTJZSA-N 429.565 2.022 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2073245419 IFKSGVFKCGWUNG-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751775 IGUXPLPJKWTYEM-NXLNFEJXSA-N 436.358 2.442 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCC#N)CC(F)(F)F 2114338777 PIJCHGXXSACRBQ-UHFFFAOYSA-N 431.436 2.417 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212241052 WCPXXHITHMZFIO-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Nc2ncnc(N)c2C#N)C1 2250346872 JNQRYLDWFIQWNX-UHFFFAOYSA-N 433.513 2.199 30 10 IEEE C[C@@H]1O[C@]2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2254810713 LBWVGESNEAKLPD-GOMRNUEMSA-N 440.544 2.438 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CO 2255378811 DQNBFDIXBNIHJN-HZPDHXFCSA-N 433.358 2.093 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255625296 PLMVRONALIIPID-AGGWBTHJSA-N 449.382 2.346 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255878310 WQYGGFKGMKMLBF-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE Cc1nc(NC(=O)C2(NC(=O)OC(C)(C)C)CCC2)ncc1B1OC(C)(C)C(C)(C)O1 2256635791 GXKXOHYXJIZDEN-UHFFFAOYSA-N 432.330 2.470 30 10 IEEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140952 GUUXLNJESJGUBE-GOOCMWNKSA-N 446.357 2.369 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267189319 YVNNVIBKVTXDIP-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268711405 NIJKTMRFFDMHOY-FVUUGDKNSA-N 447.341 2.392 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2269714235 YSVFVTICWIPDHC-VQFNDLOPSA-N 443.353 2.284 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2301727459 JPOQHTJRPYBXTI-CYBMUJFWSA-N 440.371 2.317 30 10 IEEE COc1cc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)ccc1O 2327441819 ZEHPIZBANOKWHJ-UHFFFAOYSA-N 449.439 2.309 30 10 IEEE CCCOC(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331616522 QIZJJOSRMKYPNM-UHFFFAOYSA-N 438.506 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CC[C@@H]21 2334263235 UEKKEBASIZUMAM-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203131 SUWZOPVINDSBKM-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1nc(Br)nn1CCOC 2353674667 GRDBBSRCOFEINN-OLZOCXBDSA-N 430.347 2.254 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N)c1ccc2c(c1)OCO2 21318424 ITPBUQULUXBVMD-FOKLQQMPSA-N 443.464 2.427 30 10 IEEE CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)NCCN2CCOCC2)cc1 22694562 PYXMKHVXFFUOKS-UHFFFAOYSA-O 449.547 2.179 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24390000 IVERADVXGOHWLY-UHFFFAOYSA-N 426.542 2.404 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2C1=O 29844498 QYVQECBOJFKNFC-SFHVURJKSA-N 425.510 2.333 30 10 IEEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 59892457 JDBONQYBONSREF-RGVLZGJSSA-N 425.540 2.017 30 10 IEEE CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cc([N+](=O)[O-])ccc2F)[C@H](C#N)C(=O)N3)CC1 72445444 FPIVTMJDDARDBJ-ZFWWWQNUSA-N 426.408 2.277 30 10 IEEE Cc1ccccc1Cc1nc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 434544042 KGOHSCKHNHQDEL-UHFFFAOYSA-N 437.525 2.347 30 10 IEEE CCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2cc(OC)cc(C)n2)c1=O 446172544 NVOKDDVLKFUANB-UHFFFAOYSA-N 441.459 2.306 30 10 IEEE COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460619062 OBMLVADOTDDETM-LJQANCHMSA-N 444.495 2.628 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 462417131 MFWHZOIPHANOGE-UHFFFAOYSA-N 427.404 2.208 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 464417910 ABVMFRJKWCQIGP-UHFFFAOYSA-N 433.917 2.296 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc(Cl)cn2)CC1 469424147 JPYVOTQDNJIOHQ-UHFFFAOYSA-N 446.916 2.103 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)s1 477448028 CYLKHJRMXQDTGV-CQSZACIVSA-N 432.567 2.277 30 10 IEEE COc1cccc(N2CC[C@@H](CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)c1 486502333 YNYRMIWOBWXNJC-REWPJTCUSA-N 447.539 2.493 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C1CC1 517984870 IFIXIDQKNZRJCN-UHFFFAOYSA-N 435.549 2.159 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC1 518653432 XCDOSWLRPMPLOA-UHFFFAOYSA-N 432.528 2.337 30 10 IEEE C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccc(C#N)cc1 518748146 HKEQZBLGYXAPRJ-BEFAXECRSA-N 441.509 2.327 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)n1 542960991 FRLDGSAJLHHGTM-CQSZACIVSA-N 429.912 2.106 30 10 IEEE COc1ccc(Br)cc1[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 548596446 MLIZFUMFNSDPLF-HNNXBMFYSA-N 425.260 2.434 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)C)CC1 549420725 VYWFZALKXWQWNS-UHFFFAOYSA-N 442.564 2.043 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCO[C@]3(CCCOC3)C2)CC1 557335683 WSCQWWWBZDXEIJ-JOCHJYFZSA-N 426.473 2.431 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 560050596 AMIIFZDONFAGTM-UHFFFAOYSA-N 433.468 2.282 30 10 IEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 561550303 XEAXUBIVKVWXIA-ZBFHGGJFSA-N 431.901 2.409 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncnc3sccc23)CC1 571584635 ZATRUWPIANYOFV-INIZCTEOSA-N 427.534 2.273 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3NS(C)(=O)=O)cc2C1=O 615737441 UWHCTEPUCQOEMF-ZDUSSCGKSA-N 427.482 2.331 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1C 730710954 VULCYKIXLVWBRA-GOSISDBHSA-N 429.546 2.491 30 10 IEEE CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732696907 SABKFHFSGSQAKZ-QGZVFWFLSA-N 449.577 2.320 30 10 IEEE Cc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)nc2c1c(=O)n(C)c(=O)n2C 739594160 DYXUKHCRHXYYHW-UHFFFAOYSA-N 445.504 2.471 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1nnnn1C1CC1 742211962 DYOSNTWCECVFJR-MRXNPFEDSA-N 425.518 2.117 30 10 IEEE C#CCNC(=O)[C@@H](C)OC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 744572053 CSSADEFGKSXBEO-CQSZACIVSA-N 426.922 2.002 30 10 IEEE C=CC[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757297620 LINDRTQCFKHUPM-BTYIYWSLSA-N 438.480 2.422 30 10 IEEE C#CCN(CC#C)C(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757497007 YMLANNCGASFSKR-JOCHJYFZSA-N 430.460 2.463 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 758152105 QNYRMNICKAQKQD-RBUKOAKNSA-N 432.569 2.369 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 761992016 CSQUKCLRMUHJDK-UHFFFAOYSA-N 426.856 2.170 30 10 IEEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780204011 DRDWZJJVEWIZCI-HSZRJFAPSA-N 432.480 2.313 30 10 IEEE COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@H](c2c(Br)cnn2C)NC(=S)N1 783822645 KVORCNMDLFZBCL-CYBMUJFWSA-N 449.330 2.320 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 792659390 PYVONUUAXXWNTO-MOPGFXCFSA-N 426.517 2.422 30 10 IEEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 796810471 ARJLCUIRBCNWMQ-OAHLLOKOSA-N 427.498 2.430 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1C#N 803241991 HTCKNXOCQIGRHN-HNNXBMFYSA-N 428.439 2.104 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 809838944 FKCALVCWSOICRS-UHFFFAOYSA-N 430.845 2.054 30 10 IEEE O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)OCC#CC1CCCCC1 814094416 JHMBIGAAOXHVLY-UHFFFAOYSA-N 446.569 2.427 30 10 IEEE C[C@H](CN1CCCC1=O)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 917681442 QFUQNQKJFCEYRS-DYVFJYSZSA-N 432.521 2.437 30 10 IEEE Nn1c(NN=Cc2cccs2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084148342 NJVYDICLRMOYDP-UHFFFAOYSA-N 431.503 2.001 30 10 IEEE C=CCc1cccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)c1O 1084309882 YPPQCDWEZHAPQF-UHFFFAOYSA-N 437.529 2.281 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1 1084423766 JGYCFEPYWHRIIS-UHFFFAOYSA-N 425.518 2.163 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2csc(C#N)c2)c1 1128808211 CZJQFHOZYBVULW-UHFFFAOYSA-N 428.333 2.399 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)n1 1136554098 HEJOSFLZXPYNRA-FQEVSTJZSA-N 440.554 2.197 30 10 IEEE C=CC[C@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OCC 1138147628 QHNSDCNLFCFLCM-KRWDZBQOSA-N 432.521 2.376 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(CC)cc3)CC2)c1 1153427887 LFUNIHPNSKPXBV-UHFFFAOYSA-N 425.554 2.119 30 10 IEEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H](C(F)(F)F)O1 1154018171 VRTBKLCHZSXMCQ-TYNCELHUSA-N 433.452 2.072 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1cccc(CC#N)c1 1158295964 XQSKQMBPSDQHCF-CGTJXYLNSA-N 433.530 2.361 30 10 IEEE C=CCC1(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CCOCC1 1192287033 XWZNUMQTLRWKST-UHFFFAOYSA-N 438.365 2.256 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 1195262152 YFUVISTYJLXHAZ-UHFFFAOYSA-N 430.324 2.384 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)C1 1261205064 NZZKFLWGXBGAMV-KAZGPFDJSA-N 432.520 2.269 30 10 IEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286340147 XOVFXDYDTDNZKC-LBPRGKRZSA-N 435.351 2.396 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1286367753 PIBIUHUFKPUEKA-QHCPKHFHSA-N 427.549 2.269 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C)n1 1286413840 OFBQEQSRJFPJNA-UHFFFAOYSA-N 440.555 2.471 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1286500943 HXQSGSRKKBPOHF-INIZCTEOSA-N 438.561 2.291 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286717470 YOAHXZZQEBSYAX-VQIMIIECSA-N 447.502 2.204 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C)C1CC1 1286737429 LZMNIZJFPAGXJX-QGZVFWFLSA-N 448.568 2.220 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(C)C)CC1 1286791895 GPEIKJQJWGQJGA-UHFFFAOYSA-N 426.565 2.246 30 10 IEEE C#CCN(CC(=O)NCc1cccc(CN2C(=O)CSC2=O)c1)C(=O)OC(C)(C)C 1295214101 HLFAVDRLLOEPSO-UHFFFAOYSA-N 431.514 2.369 30 10 IEEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1297380001 SRTXXOLQWZTNFQ-UHFFFAOYSA-N 435.590 2.256 30 10 IEEE Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCCOC(F)F)CC2 1298903031 KDQLWDGIEJNHOL-UHFFFAOYSA-N 441.442 2.102 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c(OC)c1 1300041876 VZCBCXWAARBPQJ-HTAPYJJXSA-N 442.495 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1300310046 KHYMAWPJBSQVOD-CNNODRBYSA-N 439.560 2.485 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1300762144 OJUCZXQZCYXXEQ-MRXNPFEDSA-N 445.549 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](NC(C)=O)C1 1300870440 SLVPCLIGUAZOAW-AFYVEPGGSA-N 435.569 2.088 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301579260 FAPDNKZCYSURIV-IBGZPJMESA-N 426.521 2.260 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1301611729 GNCBBAOGLAJHKE-SFHVURJKSA-N 425.562 2.294 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC(C)(C)C1 1302051486 GLWFVYMPPAHYCL-PGRDOPGGSA-N 434.585 2.243 30 10 IEEE COc1ccc(C(=O)NCc2cncc(C#N)c2)cc1S(=O)(=O)N1CCCCCC1 1303863433 AKUYFUSZPLMVQJ-UHFFFAOYSA-N 428.514 2.457 30 10 IEEE N#Cc1cncc(CNC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1303864399 UYBARVLUDAKKBX-UHFFFAOYSA-N 426.420 2.347 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1305547523 FTVWMSQPPCFNTJ-YESZJQIVSA-N 425.541 2.021 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)c2ccc(C(=O)N3CCOCC3)cc2C)c1 1307565063 ZQLUJEKTXKSTHA-UHFFFAOYSA-N 434.496 2.233 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1316170708 BAMAXLVEWHUDGF-DPPKGPFUSA-N 444.536 2.075 30 10 IEEE CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CC2(C#N)CC2)CC1 1355496590 MEPVGMVNLQPIIT-UHFFFAOYSA-N 445.589 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1358901016 YBBLEFZLMHHYDH-CADBVGFASA-N 446.596 2.227 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358960721 KIQCGNURTRJWFK-RTBURBONSA-N 444.605 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1358973668 AGNJZVTVOMGMKF-UNMCSNQZSA-N 444.543 2.445 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1359007644 PSBOXFPKQSZRAK-UHFFFAOYSA-N 447.543 2.222 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@H]1CC 1359048883 CVIRBRCGSYPZDP-JKSUJKDBSA-N 425.624 2.414 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)CCCNC(=O)C1CCC1 1359081983 UOLUEFKNDKLTRS-UHFFFAOYSA-N 434.342 2.386 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359187272 HPDPSQOKGUPAHR-RTBURBONSA-N 430.597 2.380 30 10 IEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1359192983 UDIRERCOZPXIEP-LJQANCHMSA-N 443.573 2.109 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359296973 ACUNATWGKAWHTH-UHFFFAOYSA-N 436.516 2.166 30 10 IEEE CC1(C)CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1360824764 PYRBPDBLOITBGO-QBHGPPCGSA-N 446.577 2.378 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1435761681 IIXZZHGEWFSSFW-QGZVFWFLSA-N 428.489 2.328 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 1453775629 QMCAZOABEWLVHS-UHFFFAOYSA-N 441.509 2.294 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1454205532 PFNVTPNKPMDEQX-GDBMZVCRSA-N 433.509 2.489 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)n(C)c2)C1 1454249914 XUACRIPWNXOGLH-INIZCTEOSA-N 441.557 2.254 30 10 IEEE COc1ccc([C@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1454353045 GRVOODCWRVQVDP-LJQANCHMSA-N 443.525 2.114 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN[C@@H](c4ccc(F)cc4)C3)C2=O)cc1 1455439649 CBUVLTQFVVBVHV-VQTJNVASSA-N 435.459 2.075 30 10 IEEE C=CCn1c(SCC(=O)N=[S@](C)(=O)N(C)C)nnc1[C@@H]1COc2ccccc2O1 1458824445 DVMBZCNNMGMVOA-WNNBVUDTSA-N 437.547 2.170 30 10 IEEE C[C@]1(NC(=O)C(F)(F)F)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1460667295 RBHRPIIBOYLXIC-KRWDZBQOSA-N 435.368 2.316 30 10 IEEE C=CCOc1ccc(CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1467890666 WJUVIELGQXUHER-GOSISDBHSA-N 438.546 2.292 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)CC1 1471051708 UQEKCACJVOQLHX-SJLPKXTDSA-N 434.518 2.455 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1)c1ccc(Br)cc1 1475334198 ILQLPPVVAMUPPX-AWEZNQCLSA-N 434.271 2.456 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1496476062 KXCLSBHASYILTO-WOJBJXKFSA-N 434.500 2.458 30 10 IEEE CC/C=C\Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1499793421 LJQBIGDSPSGTEP-UTCJRWHESA-N 443.515 2.485 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1501789771 CBUPEFMBXRCIRF-UHFFFAOYSA-N 447.547 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1507541275 IKPMCEPZRZZUSA-KRWDZBQOSA-N 437.548 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)nc1 1507661565 ZNLAGQKFYLAYSN-DEOSSOPVSA-N 436.560 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1507675791 HZEJLBUNNHRBPH-SFHVURJKSA-N 444.532 2.284 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCOC1 1507702293 ICEXNLLYFFNAIN-WMZHIEFXSA-N 428.533 2.272 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1508077699 ZPOCTBRQLQIMNJ-UHFFFAOYSA-N 448.930 2.459 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1508095570 XYRXENFWOWPRGN-CYBMUJFWSA-N 425.942 2.410 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508168607 XOJKSPJJCZCZEK-RBUKOAKNSA-N 432.594 2.443 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1509951221 XCEICMODICNCEQ-IAGOWNOFSA-N 436.557 2.487 30 10 IEEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)n1 1511917222 FRZUTNAVHKARIY-SJORKVTESA-N 449.563 2.342 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1 1517089174 TUSGITOYECCVDX-KRWDZBQOSA-N 428.537 2.090 30 10 IEEE Cc1nn(C)c(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)c1C#N 1538620556 NTLBPVCWAABUHS-UHFFFAOYSA-N 429.278 2.072 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539263179 AHRWOQGZRZXTAO-LEWJYISDSA-N 437.544 2.220 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC(O)CC1 1539284036 FIQNSOFUVGVODA-NHCUHLMSSA-N 427.593 2.116 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539526736 TZUZZMABCYKVDR-SFHVURJKSA-N 443.598 2.271 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1539538990 NTQYSMVPCNKHNQ-HRAATJIYSA-N 446.577 2.111 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1539659328 RYGXQAWUMMWPJH-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1539721489 BCZXWXVJXFIDHY-FHWLQOOXSA-N 432.569 2.160 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cnc2n1CCOC2 1539725094 PIJSWHGPMPFVQK-UHFFFAOYSA-N 435.278 2.141 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539752226 GIXREEBRISFUOL-QUCCMNQESA-N 440.548 2.349 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1540080171 DOLMLNORLIUQJC-UHFFFAOYSA-N 432.576 2.493 30 10 IEEE N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1F 1540733742 CPNNHNRTGRAWSU-UHFFFAOYSA-N 431.464 2.472 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc(I)cc2Cl)c(=O)nc1O 1540785004 YNLKTEUGMSMYEY-UHFFFAOYSA-N 444.616 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](SCC)C1 1540897186 CPARDGKTAWUKTA-INIZCTEOSA-N 443.639 2.129 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1543118995 PEMMXLQQHXSINX-PZJWPPBQSA-N 435.446 2.259 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCN1CCC(O)CC1 1548197717 NJUOQWWYEIMHHX-IRLDBZIGSA-N 438.576 2.405 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1=O 1556455184 DQFOUVYCMQSVSA-RBUKOAKNSA-N 426.517 2.425 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 1557741396 WEUXSRGPUKJOIN-UHFFFAOYSA-N 426.517 2.056 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 1558420049 NKYJXGSNFFRFGW-NVXWUHKLSA-N 437.562 2.384 30 10 IEEE N#CCC(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Br)c2)CC1 1559225510 SFXAMXBYIJBHGF-UHFFFAOYSA-N 426.278 2.140 30 10 IEEE C#CCCN(CCOC)C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1565378735 WMQCKJPRENLFKJ-KRWDZBQOSA-N 437.537 2.001 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCC4(CCC4)O3)CC2)cc1 1565421808 KKRSGZCEDVYLLT-SFHVURJKSA-N 432.546 2.066 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OC 1587305134 BGINDVBCFTTZSJ-QGZVFWFLSA-N 432.521 2.376 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588055251 UJMZQAWVULLARR-UYAOXDASSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588059076 IZRQPAGCPJDJMN-PMACEKPBSA-N 435.638 2.224 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589036945 RQOJKMVGOZLNSC-GOSISDBHSA-N 429.571 2.197 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1589110398 USKSLHRDPQPESF-UHFFFAOYSA-N 440.573 2.446 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1594669138 PCADWOKRLSOUDO-HDICACEKSA-N 427.553 2.437 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1595466241 HJQFGPWYJVWPTO-AWEZNQCLSA-N 433.582 2.243 30 10 IEEE C[C@@H](C#N)N(C)C(=O)CCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 1595711686 UYEAMUSDPOZUKC-AWEZNQCLSA-N 442.969 2.251 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595772931 JVFDTNSZTQMGDT-QGZVFWFLSA-N 449.577 2.140 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2[nH]c3ccccc3c2C#N)c1 1596079880 KBKBEJOZCZAQTO-UHFFFAOYSA-N 427.486 2.258 30 10 IEEE N#CCCn1ncc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c1-c1ccccc1 1611095658 DWHKSMJSEVXSLZ-UHFFFAOYSA-N 435.465 2.442 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)n1 1612185701 HQGOCNAQTWBTES-UHFFFAOYSA-N 441.499 2.310 30 10 IEEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1612624000 AEJGIKNBQIYIMQ-GOSISDBHSA-N 440.529 2.288 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1617204708 UNMMNSGNKWXWAV-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H]1CO 1617907252 BSSHQHXCDZNWJE-JOCHJYFZSA-N 448.575 2.424 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1619702442 FAEYELHANCEELJ-WMZHIEFXSA-N 441.532 2.397 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1=O 1624817349 QMXDILCNZRSTIX-WOJBJXKFSA-N 440.544 2.366 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C(=O)C(OC)OC)CC1 1625542419 KDYRPEVACRWRCK-UHFFFAOYSA-N 442.310 2.309 30 10 IEEE C#CCN(C(=O)c1cn(C(F)(F)CO)nn1)[C@H]1CCOc2ccc(Br)cc21 1628057455 GEFJWPADEJKTCZ-AWEZNQCLSA-N 441.232 2.181 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1628510386 AOOBPBQRQFYHPN-ZDUSSCGKSA-N 431.352 2.030 30 10 IEEE COCc1ccc([C@@H]2COCCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)o1 1634109142 WSXOJTSQIDLNHI-UAGQMJEPSA-N 434.493 2.268 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)CNC(=O)c1ccccc1I)C2 1639105518 OGIPZBBJOWGEJA-UHFFFAOYSA-N 431.233 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC2(CC1)CNC(=O)O2 1639733911 FKMIRCHMKZMTPA-SFHVURJKSA-N 440.500 2.494 30 10 IEEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1cccc(C#N)c1Br)C1CCCC1 1642453903 BJJNIRJIZAYLKN-HNNXBMFYSA-N 443.367 2.005 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1 1651805610 OVWOHHGTCYLNDP-GDBMZVCRSA-N 427.364 2.073 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc(Cc3ccccc3Br)n2)c1 1652760510 TXKDUKDLBWRXON-UHFFFAOYSA-N 439.273 2.356 30 10 IEEE Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039155 KCWRXEFFSAYOPA-AOOOYVTPSA-N 434.283 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCO[C@@H](c4ccc(C#N)cc4)C3)OC2=O)C1 1656288942 IUYXFHHJUXSZJE-RBUKOAKNSA-N 427.501 2.484 30 10 IEEE N#Cc1cccc(-c2nnc(CN3CCn4ncc(I)c4C3)o2)c1 1660310233 VVQBIXATVKSIBZ-UHFFFAOYSA-N 432.225 2.425 30 10 IEEE Cc1nn(C)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 1662103992 AUMMRVPNDIZNTB-MNOVXSKESA-N 427.303 2.372 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1 1666222734 SKYYQRZOCJKNFM-RLLQIKCJSA-N 428.533 2.266 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)cc2)n1 1672766418 MOKUFIYDZXWJNV-QHCPKHFHSA-N 436.560 2.481 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCC1 1690043416 AJAYRBSPTRUXTK-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1690252639 HFVXCTXTFCCUIB-HRAATJIYSA-N 429.496 2.256 30 10 IEEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690287906 ZNTZAUGTHUPDFR-LJQANCHMSA-N 427.553 2.476 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1690309673 HCQNYDGTTVQOQU-IBGZPJMESA-N 428.512 2.288 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690319094 CMMWCQYWKPWGKF-LJQANCHMSA-N 440.548 2.314 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1690380378 MKVWTGFAPRMFJS-RTBURBONSA-N 430.597 2.445 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690491882 KAIMXOXFZLMPDM-OAHLLOKOSA-N 437.591 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1690668587 AZDIRLOSDYYKGR-UHFFFAOYSA-N 435.532 2.033 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)C1 1690712402 VDSSXAPBRMOEDT-QUCCMNQESA-N 442.564 2.264 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690972655 FMPWYYMATPNMEN-MFEFFIJZSA-N 438.532 2.116 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1690997500 KVFPGYKTAJYSOT-HNNXBMFYSA-N 427.534 2.028 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)CCOC1 1692590320 BXEWEPGRUSSGGA-JZJXAQOMSA-N 433.553 2.109 30 10 IEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)CC1 1695943309 DOQVAASYEAKPGV-UHFFFAOYSA-N 441.536 2.005 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cccn2)cc1 1698058143 BEZYAACWEHDNHQ-UHFFFAOYSA-N 448.531 2.115 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCc2n[nH]c(C)n2)CC1 1705633217 LXXHFYOBMDTSQM-IBGZPJMESA-N 448.575 2.459 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N[C@H](C)CC)CC1 1705644155 ZPUZLSAJHSKAQF-SFHLNBCPSA-N 444.624 2.257 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(C)=O)CC1 1705656932 NOEHHJWFQBHCAE-UHFFFAOYSA-N 427.530 2.099 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705737652 WYLDLKBFIVWJFA-SJORKVTESA-N 432.525 2.459 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705825069 IIIHSEKRJUNTKV-MRXNPFEDSA-N 434.566 2.352 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)cc1 1705911195 BDMFFBOPMOYYQD-AHRSYUTCSA-N 441.532 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1705926565 GUNPROWJWALLTA-VXKWHMMOSA-N 440.592 2.402 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1705941880 ZLHBSCPEOOARGB-OAHLLOKOSA-N 429.546 2.302 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1 1705942729 BMIVXFZXOSBGCU-UHFFFAOYSA-N 430.607 2.377 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@@H]1CCOC1 1706115664 WGRBKGONRHQKFP-LJQANCHMSA-N 439.564 2.364 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1706934661 DHOZFWUTVGGYFP-LLGFUMIMSA-N 438.523 2.268 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@@H]1C 1708281349 FYLZKMCPODZKIX-CVEARBPZSA-N 426.546 2.006 30 10 IEEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)cs1 1709005773 WHZBDLRNIIWHSE-UHFFFAOYSA-N 442.570 2.365 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 1709334960 CDBSTSNFLFONMX-VDZJLULYSA-N 429.546 2.255 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)c2ccccc2)CCOC1 1710482207 BRPLLQAEBPIGLO-YLJYHZDGSA-N 433.459 2.451 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCOCC1 1711982733 PZYALDCQBUGWCK-FQEVSTJZSA-N 441.532 2.192 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1712615573 LGYDYYIHQQHRCH-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1722309285 WMANWPAOACHGDC-SFHVURJKSA-N 436.626 2.147 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722337412 ZLCUDIHHQDXSCQ-IBGZPJMESA-N 434.500 2.355 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722342659 UPSFWQFSVDDUPO-PGRDOPGGSA-N 443.935 2.269 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cccc2c1OCO2 1722425949 RUPPBXBXOPSTPW-UHFFFAOYSA-N 425.514 2.497 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1722437924 LOEADTIJUFPMSP-UHFFFAOYSA-N 433.560 2.017 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722442045 WISRJBHXIIKVQW-FQEVSTJZSA-N 445.514 2.251 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1722504969 PVJFCYSYACIUMV-PGRDOPGGSA-N 436.516 2.036 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cccc(Cl)c2n1C 1722679692 JIONJJRUMJSDPJ-MRXNPFEDSA-N 443.939 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](C)C1 1722727608 JZCGLRFEWVAEEF-JTDSTZFVSA-N 448.545 2.005 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722857065 GNIQHAKNSWWYQR-IBGZPJMESA-N 448.531 2.494 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(C2CC2)C1 1723886049 HJOOAUYHRREVEA-WMZOPIPTSA-N 442.589 2.170 30 10 IEEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1730514508 BCGUSKAOSCLOGO-OXQOHEQNSA-N 439.557 2.219 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624256 HDSUPRZQCMSAAQ-IEBWSBKVSA-N 447.630 2.041 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740752190 UNQNMKNYDQSUHP-VQTJNVASSA-N 431.581 2.458 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1740764917 LLGHGYTXLNQLDE-MRXNPFEDSA-N 432.550 2.295 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740847275 CPOTXGIMYCYDRB-QGZVFWFLSA-N 431.585 2.415 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740847424 ILYCPZMQSDRNHV-OALUTQOASA-N 429.613 2.048 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740848295 HJRDVWYTYAGFOC-DLBZAZTESA-N 425.599 2.245 30 10 IEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(ccnc2O)C1 1740889754 KJAXEZMEWQDMPD-HKUYNNGSSA-N 429.521 2.258 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2OCC)CC1 1740965952 NKNIIOSXMCIGKR-HXUWFJFHSA-N 440.548 2.157 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CCC2)C1 1740973392 XATASUIJIUIVQC-UGAZBFNKSA-N 438.594 2.013 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1741000842 HFNCCUPVRSPNSJ-UHFFFAOYSA-N 446.621 2.015 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1747404595 FWOOKIRMNYGHJQ-IEBWSBKVSA-N 431.562 2.239 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1747923531 YLDOIENMIXCAGC-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1748652280 YUMGNNTVBPLRIB-CQSZACIVSA-N 446.349 2.448 30 10 IEEE C#CCCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748762933 UDIXQDYKNTVPLO-SAHWJRBASA-N 444.580 2.425 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCOC[C@H]2CCCO2)CC1 1748993548 BONZIKBMNDQUAT-HXUWFJFHSA-N 429.590 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)C1 1749735778 WZAMSFPEDGUOCT-GOSISDBHSA-N 448.545 2.007 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749740506 FTYRIMTXGZLTFY-IIBYNOLFSA-N 437.610 2.500 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750035622 QMBKVNPWUPQSCS-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1750076458 NMXYNRPFJLBRBR-JSGCOSHPSA-N 441.479 2.436 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760157386 NQHNQOKRVDBZNA-IIBYNOLFSA-N 429.546 2.067 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)c1cc[nH]n1 1760212447 VFSSRRYAENYLKI-FQEVSTJZSA-N 429.528 2.436 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N(C)C 1760243963 JMCNCBHTWOSEEL-UHFFFAOYSA-N 434.338 2.272 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(F)c(F)c2)CC1 1760261381 QJNWZCQGAWTFAE-UHFFFAOYSA-N 439.514 2.416 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760502783 LUMCHFRXZRVETJ-HKUYNNGSSA-N 448.593 2.116 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)c2ccccn2)CCOC1 1761291263 JAKLZNZWGXDXGU-MBSDFSHPSA-N 440.548 2.420 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1761439587 FCSRBCRLFFQWMI-JKSUJKDBSA-N 427.509 2.230 30 10 IEEE CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1764100257 AGPNNVMLGNKZLZ-UHFFFAOYSA-N 431.504 2.319 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CC 1766089646 HLOKNUMNDGNTAL-RTBURBONSA-N 440.548 2.469 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1771276738 KKLDOXKWXLCQBG-ICSRJNTNSA-N 440.548 2.065 30 10 IEEE COCc1c(C(=O)NCC2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc(F)cc1 1850898778 OTPJYKAZACVLJG-UHFFFAOYSA-N 449.490 2.466 30 10 IEEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3nc(C)[nH]cc3C#N)c2C)C1 1852624800 AGGCDULDMBOBAF-AWEZNQCLSA-N 449.437 2.113 30 10 IEEE CCC[C@@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OC1=O 1856225873 VPYOZIRGKHIREL-IAGOWNOFSA-N 437.493 2.445 30 10 IEEE C=CCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2cc(OC)ccc2OC)C1=O 1863379569 MOTNNJHHZAVOJZ-UHFFFAOYSA-N 442.493 2.485 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CCC(=O)N3CCCCC3)sc2c1 1866188123 ZTLMPFQFUOFPJD-UHFFFAOYSA-N 436.559 2.492 30 10 IEEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 1869931889 LDFLZVVSFWWBHS-PMACEKPBSA-N 440.569 2.457 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1Cc1ccccn1 1870480543 WFEXPYICSYOWIW-UHFFFAOYSA-N 427.501 2.034 30 10 IEEE C#C[C@]1(Oc2nc(C)nc(I)c2N)CCN(C(=O)OC(C)(C)C)C1 2012593325 VCNMZFLYJCRVHO-INIZCTEOSA-N 444.273 2.363 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1(C)CC1 2060635077 HRQGGVFAXASOQM-CQSZACIVSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124531749 GHZNZJNACMKNMO-UHFFFAOYSA-N 448.369 2.186 30 10 IEEE CCCn1nnc(Br)c1CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2138160166 LAEUCLOAFJXOLP-UHFFFAOYSA-N 428.331 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678009 LEOHWJYZBCYITN-QRQCRPRQSA-N 447.341 2.249 30 10 IEEE NCC#Cc1ccc(Cl)cc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2145991791 OMVBNZXJNAWTEM-UHFFFAOYSA-N 445.928 2.468 30 10 IEEE N#Cc1cc(N)ccc1S(=O)(=O)NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2207139014 SZQMCSUJSVNXPH-BIXGBWIQSA-N 426.498 2.266 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@@]2(C#N)N(CCO)C(=O)OC(C)(C)C 2244188928 WEXKWADVUZGGAK-BSZHMFSPSA-N 425.526 2.428 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2247917195 CPVLEDUATDFMSL-LBPRGKRZSA-N 439.343 2.031 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(C)(C)CNC(=O)OC(C)(C)C 2255544688 DBBJWMGIQHMHJP-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2255810696 MFHUKBCZWVTRNO-CYBMUJFWSA-N 448.354 2.027 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267133567 DFLGAHNTSAZFEO-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CCN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267186134 FOAKWRGLESKSGS-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267189066 VMKZSJXXANUTNO-IEBWSBKVSA-N 438.381 2.217 30 10 IEEE CCn1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267484646 BMTNVDBIRSQCPP-HUUCEWRRSA-N 448.373 2.330 30 10 IEEE Cn1cc(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267514986 HYTVIDXLJKRDBR-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267521215 QGZZZHGNRIXYOE-IBGZPJMESA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)cn1 2267544652 XHZVAJUYWDRLIF-UHFFFAOYSA-N 445.329 2.287 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2267598982 IFVHUZBDPBSJQS-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267609103 LKWVFNGNGTVTNX-ALXJQNPVSA-N 443.353 2.318 30 10 IEEE CC1(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)OCCO1 2267705781 MCCRFZRVBKXEED-UHFFFAOYSA-N 431.747 2.071 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268652052 DFQOGZJVVGMBFJ-HZPDHXFCSA-N 447.341 2.344 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CN(Cc5ccccc5)C[C@]4(C)C3)nc2)OC1(C)C 2282618780 OKQGESZZHWHSPY-KBMIEXCESA-N 448.376 2.370 30 10 IEEE C[C@@H]1CC[C@@H](C2OCCO2)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282862217 ZRLUWDPSLLXTCB-HIFRSBDPSA-N 443.396 2.209 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2301374112 SUBOXDILURMWDO-CQSZACIVSA-N 441.765 2.356 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc3c(c2)OCCO3)CC1=O 2327902039 BMBCFLNNUBXAPJ-OAHLLOKOSA-N 445.545 2.130 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337197273 VDVOZTBAYNTVAT-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2337288959 DFPHNVURMPEAAA-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@@H](C[C@](C)(N)C#N)n1cnc(I)c1I 379775097 ATUPNLOLWUJOBW-RCOVLWMOSA-N 430.031 2.284 30 10 IEEE Cc1cc(NC(=O)CN2CCN(c3c(Br)cc(Cl)cc3C#N)CC2)no1 429201691 SHGDRZSRSDJNCZ-UHFFFAOYSA-N 438.713 3.031 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2CCC(C#N)CC2)c(C)c1 442979316 FLMXGRULSRVYHB-TUNPWDSISA-N 433.574 2.182 30 10 IEEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC3CCC(C#N)CC3)c(Br)cc21 443218033 ARFLKFRHNFSGNP-UHFFFAOYSA-N 441.351 2.248 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 443483849 LZZMMEUYBXJEEI-KRWDZBQOSA-N 436.331 2.299 30 10 IEEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265412 QOZZYSGZBIZTNB-DYESRHJHSA-N 439.560 2.241 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)CC1 493145773 HCDQEBVUBYKDSN-UHFFFAOYSA-N 428.443 2.422 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 508826989 KLYNDWPBYRIFNB-MRXNPFEDSA-N 435.887 2.307 30 10 IEEE C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(-n2cccn2)cc1 520449416 HJKTVYWBMAAFRB-LJQANCHMSA-N 442.523 2.266 30 10 IEEE Cc1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCCCC1 533125240 UGNOJWBKWOSMLR-HNNXBMFYSA-N 425.576 2.482 30 10 IEEE C[C@@H](C#N)CN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CC1 533139092 KVADSBSIKLNXRP-KRWDZBQOSA-N 430.574 2.374 30 10 IEEE CCN(C1CC1)S(=O)(=O)c1c(C)nn(CCS(=O)(=O)c2cccc(C#N)c2)c1C 534385950 SYVPHKKRZNTSIG-UHFFFAOYSA-N 436.559 2.019 30 10 IEEE CC[C@H](C)[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 544832453 GBUCRFRNYLFUQG-KKSFZXQISA-N 431.496 2.313 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 574964401 HUHNDUBLTRDYEB-OAHLLOKOSA-N 425.580 2.427 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)Nc2ccc(C(=O)O)cc2)sc2c1CCC2 586339620 OQKJQLXBCGKVRX-GDLZYMKVSA-N 431.495 2.133 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccccc1C 589761837 KVRVMOXBNKMURQ-UHFFFAOYSA-N 445.544 2.330 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)OC)c1 609266014 AAYNZCOAAOKWDR-QGZVFWFLSA-N 434.489 2.052 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)no1 730141200 NXEGIZJMENQAJN-SFHVURJKSA-N 429.546 2.491 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1C 730143211 RZYRUAJIPUQJDD-PKOBYXMFSA-N 432.590 2.482 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CCN1C1CC1 732677962 HFHKZPNPEIYXOR-HNNXBMFYSA-N 432.527 2.067 30 10 IEEE C[C@H](COc1cccc(C#N)c1)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 733862442 XWLZGHSGEBMQOJ-QRQCRPRQSA-N 433.464 2.344 30 10 IEEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 741115804 YLVIRPZANCTTSU-IBGZPJMESA-N 442.497 2.304 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)cc1 746876566 BXNVYGKFZHQBCV-UHFFFAOYSA-N 443.525 2.293 30 10 IEEE CCCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)c1 748063962 HCQNFYGICGXCKO-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE C=CC[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccncc1 749725125 KMKGCZVPVKDCOB-AZUAARDMSA-N 443.525 2.406 30 10 IEEE N#Cc1ccsc1N1CC[C@H](OC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1=O 751635182 LMNNDHYHAYCCOJ-HOTGVXAUSA-N 427.507 2.484 30 10 IEEE Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1C 763941017 NVGAOYWADAMAEL-QQTULTPQSA-N 442.541 2.485 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cncs3)c2=O)cc1F 767891192 LCCCVIHUCNFVAE-UHFFFAOYSA-N 441.509 2.375 30 10 IEEE C#CCN(C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774196797 MKDMKSNFPZSDAR-LJQANCHMSA-N 449.573 2.086 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@@H](OC)C(F)(F)F)C1=O 786688683 PYUSNBFQVQNCEX-UONOGXRCSA-N 447.435 2.450 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2occc2CS(=O)(=O)c2ccccc2)n1 788821226 ZDMFBRAQXPJBTF-UHFFFAOYSA-N 441.509 2.372 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc(OCC3CC3)cn2)cc1 790276768 UNYNGSQPDIGREC-MOHJPFBDSA-N 429.502 2.331 30 10 IEEE CCn1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)cn1 795178308 RZJLMLKVMPURTQ-GOSISDBHSA-N 428.562 2.103 30 10 IEEE CNc1ccc(C#N)cc1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 803306126 OYXGTWCARRRVMW-SFHVURJKSA-N 444.513 2.268 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 805036633 MDJKKZXKYZFVMB-SWLSCSKDSA-N 441.303 2.427 30 10 IEEE Cc1nnc(CCN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)s1 809941464 ZPEVFCCFUDONNT-INIZCTEOSA-N 446.602 2.089 30 10 IEEE CC(C)(COCC(F)F)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 810788566 YCTGMALTKFWWON-UHFFFAOYSA-N 425.251 2.434 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 812270123 WUQZDFCMIZMORX-ZACQAIPSSA-N 434.541 2.361 30 10 IEEE C#CCN(C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 812435955 BGGDFUOGSMWYIL-BZSNNMDCSA-N 441.594 2.149 30 10 IEEE CCOc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)ccc1OC(F)F 837839548 MJJCABCMQQMQHU-OAHLLOKOSA-N 447.463 2.116 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1128907188 IWXNULULZRPYBC-XQQFMLRXSA-N 427.452 2.471 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1137280385 QDHWNAMIPKFIJM-IECFSIQFSA-N 431.533 2.159 30 10 IEEE C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(NC(=O)c2ccccc2)c1 1141695701 CYIQHYMPLBDOHT-HNNXBMFYSA-N 431.452 2.340 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1148757670 JZMCDMSEKOLBHL-UHFFFAOYSA-N 442.497 2.181 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ncon2)CC1 1156088453 NCWYFBFHIUHZOQ-UHFFFAOYSA-N 431.518 2.075 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1159751505 TXORXGQWUACTEV-QZTJIDSGSA-N 438.532 2.474 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3cccc(N(C)C)c3)n2N)c1 1165702342 MJSUGZKYEFSLIM-UHFFFAOYSA-N 435.513 2.147 30 10 IEEE Cn1ccnc1[C@H](O)C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1252506722 FPFUOJKMWPQQBB-JOCHJYFZSA-N 436.560 2.411 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286390285 ZYTWUHIOINKBEG-LJQANCHMSA-N 439.516 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[S@](=O)C(C)(C)C 1286426450 WAPXCBPEZDXDEE-PMERELPUSA-N 429.546 2.016 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](C(F)F)N1CCOCC1 1286440152 OKBNGWRPGNHDOK-KRWDZBQOSA-N 447.486 2.489 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(NC(C)=O)cc1 1286464688 DRWFMVDLDHUPOS-HXUWFJFHSA-N 425.533 2.459 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1286494954 WKFHYNWYFHHIPA-UFYCRDLUSA-N 429.565 2.301 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286496829 WEAGWEHFIOKBSJ-UYAOXDASSA-N 432.638 2.147 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1286548999 VXIOUJUDOQFNCJ-AZUAARDMSA-N 446.596 2.092 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)CC1 1286565536 PMAJDFKDNBZIDY-ICSRJNTNSA-N 426.521 2.134 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 1286784611 NNOFHRJORCJAOT-UHFFFAOYSA-N 440.523 2.368 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286787086 BPGCCIMAOFQWPI-FQEVSTJZSA-N 441.580 2.204 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC(O)CC2)C1 1286812334 OGOWRBWSEBGICG-FQEVSTJZSA-N 446.621 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1286820224 HOABZISGRUEECM-UHFFFAOYSA-N 428.990 2.491 30 10 IEEE CC(=O)N1CCN(CCn2c(COc3cccc(C)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1286888920 CFUUECQPVDJRMD-IBGZPJMESA-N 439.564 2.068 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F 1288725103 IBIPHMDDNPXUBO-CYBMUJFWSA-N 427.477 2.315 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1ccc(Br)cc1 1290676549 VGVBYOFPUIVTAJ-CQSZACIVSA-N 426.267 2.248 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1294880118 IDQVDPOAIBHIRB-UHFFFAOYSA-N 438.532 2.465 30 10 IEEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1296204835 MJRXUMIMIIKZHS-NRFANRHFSA-N 429.613 2.330 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298594111 QEEBQFVITITYHA-ICFOKQHNSA-N 435.410 2.255 30 10 IEEE COC(=O)N1CCC(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1299422810 CYXJBJXOXJWYGQ-UHFFFAOYSA-N 441.511 2.402 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)=NO1 1300155523 QYOGDVAWYABFOX-IBGZPJMESA-N 441.532 2.308 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCOCCOC)CC1 1300693206 UNDKPRSVCVMZDY-UHFFFAOYSA-N 448.365 2.126 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1 1300770088 NJHBGSFIPPZDGZ-UHFFFAOYSA-N 441.527 2.190 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300823823 KCYVEVOUTINRFH-YOEHRIQHSA-N 439.402 2.299 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300991010 ZKLCOHOWVFZCLT-IBGZPJMESA-N 427.553 2.108 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1301012322 ANIQPMBTYMNBCM-UHFFFAOYSA-N 425.880 2.413 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1 1301518639 MKGQUIHWPCGDLH-MBSDFSHPSA-N 438.576 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@H]1C 1301568674 ITHGFKPZPPQXSG-CVEARBPZSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1301577383 IRJBUGZKDLDLPD-SFHVURJKSA-N 429.546 2.279 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1302314019 DPXUYTONUDJFOF-FQEVSTJZSA-N 449.508 2.329 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1303711487 DXNSEOWUENNULC-HOCLYGCPSA-N 431.541 2.225 30 10 IEEE O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252884 ROBVPIHYEASAKF-QNSHHTMESA-N 446.298 2.392 30 10 IEEE Cc1nccnc1CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1304710816 AVENFCNFUDXEME-HNNXBMFYSA-N 425.443 2.217 30 10 IEEE C#C[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccccc1 1309619751 ZPZFKSQHFZMODU-NHCUHLMSSA-N 428.510 2.318 30 10 IEEE CN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314744503 LVXHNMPUBMQXAC-LQTLECTNSA-N 436.516 2.335 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358952191 AQCOAGWGJXSYQP-UHFFFAOYSA-N 446.540 2.481 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1358955062 CZFQQIMPPHDFNL-SFHVURJKSA-N 426.546 2.033 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC1CC1 1359017925 XBTLOGGRRAYLQV-UHFFFAOYSA-N 449.534 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359097022 KFFXQICJEHLWPV-JBACZVJFSA-N 443.596 2.207 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1359306606 LPQXKAPDUVSHAU-IEBWSBKVSA-N 440.548 2.088 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359344205 PFAIJZLSLYFQOK-SFHVURJKSA-N 427.578 2.223 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359631291 XCEUFBOQMOSQIG-UXHICEINSA-N 449.559 2.226 30 10 IEEE CC(C)CN1CCO[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1440674841 JVESAMCFAFYLRN-ZVLZEYJHSA-N 434.581 2.246 30 10 IEEE Cc1cc(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)ncc1C#N 1455960190 ZJBPEKUUJVBLKP-INIZCTEOSA-N 428.489 2.324 30 10 IEEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1466840667 FGKQFMOINYIDAX-GAEBUCLRSA-N 437.566 2.029 30 10 IEEE C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1472151458 WADIAKJCWQLYOL-LLVKDONJSA-N 427.320 2.493 30 10 IEEE CCOCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1503167743 RNDPYWWKJKTDSY-PGRDOPGGSA-N 433.553 2.254 30 10 IEEE COCCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1504837320 DTVMBMDBDWQIRE-PGRDOPGGSA-N 442.495 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(C)CCCS2)CC1 1507735733 GBCJPSIFQHVMIP-HTAPYJJXSA-N 449.621 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCOC[C@H]2CCCO2)CC1 1507742525 KXJGNBLZBZMGQV-HXUWFJFHSA-N 445.608 2.418 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507755646 BSAIPPGOSHMKSP-QFIPXVFZSA-N 443.573 2.195 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507846671 SVCMQVXBFWEPGB-OAQYLSRUSA-N 440.592 2.405 30 10 IEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507962636 VDTVUEQUNLWDHR-SFHVURJKSA-N 438.532 2.360 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1508104166 ITEFTSLFNGTUOE-UHFFFAOYSA-N 426.565 2.100 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C/C(C)=C\c1ccccc1 1508141590 VYVCRKZPKXSAKK-QQSJCBEGSA-N 443.573 2.370 30 10 IEEE CCn1cccc(Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)c1=O 1515791512 HAGNVDYZRAOPDC-UHFFFAOYSA-N 446.559 2.399 30 10 IEEE N#Cc1ccc(OCC(=O)NCc2ccc3c(c2)CCS3(=O)=O)cc1Br 1518011399 BXCGQNCCDVVSCO-UHFFFAOYSA-N 435.299 2.346 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCCN2CCOCC2)cc1 1521109849 GUXIDDPBQOWLGJ-UHFFFAOYSA-N 428.562 2.004 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)[C@H](C#N)C1 1525127589 YRTVFWPBFKUULI-CYBMUJFWSA-N 432.433 2.341 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 1529819074 JGKWNXWOSGWCMU-IRXDYDNUSA-N 427.567 2.389 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C(F)(F)F)CC3)CC2)cc1 1533990804 MRGRXFLYNBZCMZ-KRWDZBQOSA-N 445.463 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCCC1 1538983968 ZNRPFVYDLTVGAF-OAHLLOKOSA-N 441.532 2.475 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539224453 HITKYLZDYFLXGU-NEWSRXKRSA-N 448.614 2.230 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539230485 HXSDDFKBEUWBHO-DJIMGWMZSA-N 449.602 2.325 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(F)(F)c2ccccc2)CC1 1539429516 ABQXUFKXQGJBSA-JOCHJYFZSA-N 445.514 2.477 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540027456 XLSJCTHJJOOQTG-JOCHJYFZSA-N 425.537 2.362 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1540893708 IOYAPJGVMVMGTR-FQEVSTJZSA-N 443.523 2.038 30 10 IEEE CC(C)CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541587977 AQVQENKSZKKMDK-SFHVURJKSA-N 433.626 2.372 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCc1ccc(OCC#N)cc1 1546322526 GPMDBXZPPDXXMS-IBGZPJMESA-N 432.521 2.261 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)C1 1547259240 FBSJGZYOZSCTDX-JOCHJYFZSA-N 426.521 2.260 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1554607405 HHDPCJVZQLOULJ-KRWDZBQOSA-N 436.520 2.272 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1555558183 ODGMCCSPBDPAOO-SFHVURJKSA-N 428.512 2.289 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]2C[C@H]21 1556132961 YMFCVAKRXHWNAH-VRXFMZDNSA-N 434.537 2.411 30 10 IEEE C=CCN(C)CCN(CC)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1556466439 YLKLKIRSOJVZAH-UHFFFAOYSA-N 439.486 2.326 30 10 IEEE C=C[C@](C)(O)C(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1557622654 YNNSLCHKAUEIJB-AOMKIAJQSA-N 433.553 2.110 30 10 IEEE COc1ccc(S(=O)(=O)NCCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1OC 1558455279 MPZLTADKHBOYKU-UHFFFAOYSA-N 445.541 2.381 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2(CC1)C[C@H](O)CNC2=O 1560195866 MWOAAWBGNDSBOE-CABCVRRESA-N 430.574 2.179 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCNC(=O)C(C)(C)C)c1 1587697806 XZPVLHVPSWMGAO-UHFFFAOYSA-N 440.548 2.033 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)OC(C)(C)C 1588139548 OXBNLEKXJYOSRR-IBGZPJMESA-N 437.500 2.388 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(CC)CC1 1589234635 WHRZPALQGRACQO-XMMPIXPASA-N 438.624 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589544055 DYQXISSLOHTHIH-UGKGYDQZSA-N 446.640 2.495 30 10 IEEE Cc1ccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1611989790 BLSBNPRVHGMDLF-VXKWHMMOSA-N 448.575 2.480 30 10 IEEE CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1615649901 UORNJZXZSJGKCC-SJORKVTESA-N 434.541 2.158 30 10 IEEE C[C@H](C(=O)N(C)CCC#N)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@H]2[C@H]1O 1616134277 LASZHOMWXMJRPL-RSWCNLLYSA-N 441.576 2.406 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1617313251 GNPSKLXZBRHTOV-LJQANCHMSA-N 439.545 2.326 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 1617961386 TVNZUKLRUVQKSP-UHFFFAOYSA-N 431.448 2.179 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1620077042 CLMHNBUFYDEMSE-MBSDFSHPSA-N 441.532 2.254 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCOC2)CCO1 1620354741 KNWVSQXBTMBEIJ-WBVHZDCISA-N 432.912 2.165 30 10 IEEE C=CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1627751207 ABMGNQOSBNYJDV-OAHLLOKOSA-N 447.351 2.084 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)s1 1629419178 FONBYBCRLFZMCC-MRXNPFEDSA-N 443.541 2.452 30 10 IEEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 1630588180 GKKVWUBMVUZCCN-DAYGRLMNSA-N 425.576 2.294 30 10 IEEE CCOC(=O)CON=C(C(=O)N1Cc2cc(Br)ccc2C[C@H]1C)c1cc[nH]n1 1632051256 BKPQGERGZRHZKL-GFCCVEGCSA-N 449.305 2.429 30 10 IEEE CCN(C(C)=O)c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1632687202 DGPBTTIDNNTFTB-GOSISDBHSA-N 434.456 2.170 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H](C#N)C3CCCCC3)CS(=O)(=O)[C@H]2C1 1634685576 HTGYPQUEXRKIAL-TVFCKZIOSA-N 439.578 2.245 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1635196798 KODXIONBCMDGKV-KRWDZBQOSA-N 446.349 2.445 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NCC3(OCCO)CCC(C(F)F)CC3)cc2)c1N 1636329283 WJLKBDZFTMQDBB-UHFFFAOYSA-N 433.459 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCc2nc(N)ncc2C1 1638904056 WMYPPKOGFUYGPW-IBGZPJMESA-N 434.500 2.350 30 10 IEEE CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1644636804 NTNQFIQXHSRNMZ-UVFQYZLESA-N 437.518 2.398 30 10 IEEE C#CCN(C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1644789137 ATTBNDUYVAMKEO-INIZCTEOSA-N 446.548 2.101 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(CO)Cc1ccc(OC)c(OC)c1 1644951127 FDCCUYYKUOQVIP-GAJHUEQPSA-N 434.533 2.420 30 10 IEEE C[C@@H](C(=O)NCc1cc(Br)cc(Br)c1N)n1cnc(C#N)n1 1645902017 VRXOVQYWSMZCHK-ZETCQYMHSA-N 428.088 2.134 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1646251373 ZDCJNYYUPNATRR-UHFFFAOYSA-N 448.570 2.440 30 10 IEEE Cc1ccc(NCCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1646255903 ODBCCBMGYMLVEV-QGZVFWFLSA-N 429.546 2.072 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@H]2NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 1647793210 JFHIWMGQKYTWSS-WWNPGLIZSA-N 438.551 2.269 30 10 IEEE C=CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 1652164559 LZNJDVJVAPLPSQ-MRXNPFEDSA-N 442.965 2.341 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[C@](C)(C#N)C1 1655141414 NJZJAQSPQLICMW-OAQYLSRUSA-N 434.562 2.434 30 10 IEEE O=C1C=COC2(CCN(CCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 1660397595 DASWXRZBRASNTO-UHFFFAOYSA-N 447.557 2.137 30 10 IEEE C=CCN(Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1663845706 ZJPLMVLCTDLAGR-XJKSGUPXSA-N 445.379 2.138 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc2c(C(=O)OC)nccc12)C(=O)OCC 1665497214 NVDYIAHSZNLPMO-CQSZACIVSA-N 426.878 2.374 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1674734098 HVKOXOUXOAMFFV-QZTJIDSGSA-N 428.533 2.284 30 10 IEEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CCO2)cc1 1675450074 KDOBSZPHQRWORE-TZIWHRDSSA-N 425.510 2.212 30 10 IEEE C#CCC1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCCCC1 1678737488 QNCOJIGRQMHFFI-IBGZPJMESA-N 426.565 2.307 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1690077366 NFWOGIVQFXKEDW-HSALFYBXSA-N 435.638 2.398 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690178982 JVNFUKGKGXWFAM-QFIPXVFZSA-N 427.574 2.405 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccn(C)n2)CC1 1690367570 UFQLQFASTAAYEZ-UHFFFAOYSA-N 441.561 2.134 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCO[C@H](C)C2)CC1 1690394814 NGZUDTNEDATHFZ-LJQANCHMSA-N 430.597 2.417 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690660684 MPPASIAONVFKNV-GJZGRUSLSA-N 446.939 2.041 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CCC)C(=O)C1 1690663932 IJXYNRWNAGBVEX-UHFFFAOYSA-N 430.940 2.349 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1692854561 RUYSQEDQNZVGMT-DNVCBOLYSA-N 434.953 2.407 30 10 IEEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCN2S(C)(=O)=O)n1 1693181635 CMBSOXBXRZRHQD-GOSISDBHSA-N 443.577 2.203 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698386086 XKUCVKXQLGMKEK-SJTPKYKMSA-N 446.577 2.030 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1698485070 YOZHZSZCKWTLRQ-OXQOHEQNSA-N 433.509 2.088 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1705539734 ZVZNNEPGLAQSQE-OFNKIYASSA-N 442.564 2.062 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCC(F)(F)F)nc1 1705549971 OYBQJLPCALHGJE-UHFFFAOYSA-N 448.405 2.460 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1705576591 NNQBKCLBIKIISL-DEOSSOPVSA-N 435.528 2.292 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Cl 1705619004 DHWQLFJUAAZKKD-AWEZNQCLSA-N 425.917 2.420 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705663257 BCJHALGNZKHPDR-LJQANCHMSA-N 448.614 2.062 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1705672753 HHFJHULQBRMLAA-UZUQRXQVSA-N 444.580 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nccnc2C)CC1 1705708765 GXUWXGBBCNCAPH-ICSRJNTNSA-N 427.553 2.221 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705824780 AALMXIZHDMCQMB-RCCFBDPRSA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705894990 QFLQMXQJUCWZKM-HOTGVXAUSA-N 443.577 2.338 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1705897841 VJMZFUMVFUOXDB-OPAMFIHVSA-N 429.496 2.476 30 10 IEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705944674 OEKIZHGTCYUBOB-UHFFFAOYSA-N 439.582 2.475 30 10 IEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705947509 NKCZVTSNERJDQQ-RTBURBONSA-N 430.574 2.457 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708134072 LOVRHVFUPGBHJV-VNRULFPQSA-N 447.499 2.101 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCn1ccnc1C 1708531212 ABEATZVWNTZXID-DLBZAZTESA-N 434.552 2.374 30 10 IEEE CN1CC[C@@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(CC#N)CC2)C1 1711275197 JNSSULZRPXETBC-QFIPXVFZSA-N 430.503 2.344 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@H](C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1712543653 PZTGYDJFBWOWRK-NMQZXRHPSA-N 446.552 2.155 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1722296910 VVTNEXTULZWZLV-KXBFYZLASA-N 430.530 2.073 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722368825 WNJRQENVEYDBEM-LEWJYISDSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(=O)OC)CC1 1722386740 JKBRDWRXQTUUBC-UHFFFAOYSA-N 446.511 2.280 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1722413920 SRQBYNHRLYCMMQ-APWZRJJASA-N 449.552 2.013 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCNS(=O)(=O)CC 1722497843 FHNUZXUHRPODAR-OAQYLSRUSA-N 431.562 2.097 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OC)C1 1722624841 JZDISKRZAROCBT-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CC1 1722633743 WWZMQJVREPBEAD-GDLZYMKVSA-N 436.607 2.080 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1722681293 JCFFCDBATBXKOP-HXUWFJFHSA-N 442.564 2.091 30 10 IEEE C=CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691320 RTMXSZLFIIXZQD-OWCLPIDISA-N 439.582 2.248 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1722696864 BWGNKPICOMWLRN-UHFFFAOYSA-N 439.564 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1 1722731743 QMXWVRRGWHSCMW-QGZVFWFLSA-N 447.586 2.271 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1sc(C)nc1C 1727602827 HTGPKDVHKXCTJL-UHFFFAOYSA-N 425.566 2.202 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSCC)CC1 1728664724 KSEWHLVVYURIHX-UHFFFAOYSA-N 441.605 2.218 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1740621246 JOWFQDIZFVDVSE-ZIFCJYIRSA-N 430.578 2.132 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1740675592 SNNIHJUWYKXUNC-UHFFFAOYSA-N 444.499 2.349 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(Br)n2)CC1 1740693522 BICNYFFDBMXABW-UHFFFAOYSA-N 440.349 2.245 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1740695593 YCYYSANXSPPZMZ-IBGZPJMESA-N 439.564 2.399 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCC=C)CC1 1740700745 ZZXUTZMNIAEEBD-UHFFFAOYSA-N 444.992 2.281 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@H]2CCCCO2)CC1 1740707256 VTRNVLOBSVYPHQ-OAQYLSRUSA-N 436.560 2.189 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852041 HOZUBDMICDRWLB-HTAPYJJXSA-N 432.569 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740992592 RIWMCQHSCVOBMZ-JKIFEVAISA-N 449.404 2.403 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1741801481 AWZZQQQLBIEXJJ-HZPDHXFCSA-N 443.556 2.308 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1744241667 HFOWQEZBJOODKU-QHCPKHFHSA-N 438.532 2.214 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1745879939 DCWSIJHCVWPFOE-UHFFFAOYSA-N 426.912 2.318 30 10 IEEE CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1745905737 AXXOIDYZKRKNMA-OALUTQOASA-N 428.562 2.477 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(=O)NCC2CC2)c1 1748694377 HDJYGQVZPCAEHU-UHFFFAOYSA-N 436.560 2.449 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1748817019 CHVURHAXMHABPE-SJORKVTESA-N 434.587 2.021 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748819642 QXXDPJUMZBXRRW-IBGZPJMESA-N 427.574 2.471 30 10 IEEE COc1ccc(COCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1748835252 COLAWIJWZULPPQ-HXUWFJFHSA-N 437.504 2.023 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1748846287 FWCGZYRRRVEOPZ-PKTZIBPZSA-N 433.556 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccn(CC)c1=O 1748855558 CHTOGJWRZWKZQF-UHFFFAOYSA-N 426.480 2.031 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1748890675 SWVXSXZMIQWNOB-REWPJTCUSA-N 443.617 2.191 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1748906376 DKBQGNMQGACUMP-HXUWFJFHSA-N 437.592 2.087 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1748914593 LRTHFAXDGYOLTQ-UHFFFAOYSA-N 447.561 2.333 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1749520106 ZFMBZRANTMWCFQ-IERDGZPVSA-N 434.562 2.453 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1750140972 HTVKYYKKCMVANA-MUGJNUQGSA-N 433.553 2.184 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1750379831 XNUBQVZSUWKKSQ-UWJYYQICSA-N 449.481 2.062 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760190277 VDJLCDUYXDKVCI-YLJYHZDGSA-N 438.557 2.109 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1cccs1 1760216147 CDRRAHZICPMEPR-JOCHJYFZSA-N 437.525 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(COC)cc2)CC1 1760267896 FFGFJTHCUGPOTG-UHFFFAOYSA-N 446.555 2.444 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@H](COC)C1 1760314543 WYNXRAMUQGXPTA-HNJRGHQBSA-N 449.596 2.418 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760357779 NHZQYCXQMGBINZ-VQIMIIECSA-N 427.505 2.050 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(OC)CCOC1 1760482772 PTBIEOAVNFTELQ-HSZRJFAPSA-N 425.533 2.399 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760524312 UWKPVQRSFHNFDA-QFBILLFUSA-N 447.486 2.330 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1760582678 NZPAMXNBBWEVTB-UYAOXDASSA-N 449.559 2.036 30 10 IEEE CN(C)C(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1768423925 FMSZXRVOFJGAHO-HRAATJIYSA-N 427.553 2.008 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCSC2)cc1 1768733146 CZXOZFSIAVLYBZ-WOJBJXKFSA-N 433.509 2.176 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCCn1cnnn1 1772523131 AVEPMLFTIFFVJO-JOCHJYFZSA-N 436.520 2.421 30 10 IEEE Cc1noc(-c2ccnc(-n3cnc(C(=O)N4CCC(N5CCC(C#N)CC5)CC4)c3)c2)n1 1851052610 ZPBQMSDFXVSUPU-UHFFFAOYSA-N 446.515 2.466 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)OC[C@H]2CCNC(=O)CO2)N2Cc3ccccc3C2=O)cc1 1851119231 GPAMRHDPIQAVGP-TZIWHRDSSA-N 433.464 2.094 30 10 IEEE Cc1nc(NC(=O)c2nc(C)c(Br)c(C)c2C#N)cc(N2CCN(C)CC2)n1 1851773823 OILAZABKZKCFPI-UHFFFAOYSA-N 444.337 2.435 30 10 IEEE CS(=O)(=O)N1CCC[C@@H](C(=O)OC[C@@H](C#N)Cc2ccc(Br)cc2)C1 1852972315 QPAOFRMTDMNYMA-HUUCEWRRSA-N 429.336 2.346 30 10 IEEE CN(C)C(=O)C1CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1855310962 NLIABAQULSQMBI-IBGZPJMESA-N 430.936 2.337 30 10 IEEE N#CC1CCN([C@@H]2CCCCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C2=O)CC1 1855597349 ASYQDBZFQJBSOK-OAHLLOKOSA-N 425.411 2.175 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1OC 1862634371 XGRNELQVOWQUJN-MPBGBICISA-N 441.436 2.392 30 10 IEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 1870140505 VSLTUOKYQGXUPW-UHFFFAOYSA-N 437.847 2.119 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560574 DTKDXVCTSOMNDI-CALCHBBNSA-N 441.532 2.210 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 1901464781 JAFPHCRWZLRWAR-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C#CCN(C)CCNC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009819336 JQEJQLUXKQMBGO-UHFFFAOYSA-N 428.577 2.227 30 10 IEEE C=CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(Br)c1=O 2172901881 YCWNNLNMJZFONV-STQMWFEESA-N 443.342 2.222 30 10 IEEE C=C[C@@H]1CN(S(=O)(=O)c2c(Br)cc(N)cc2Br)CCO1 2190206801 BQGWYUICZLWNAV-SECBINFHSA-N 426.130 2.369 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](CS)C(=O)O 2229105093 SYKBGAOBLZZFPS-CHWSQXEVSA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(C)C 2248403854 GXSAGLVYWDEMRX-LLVKDONJSA-N 440.375 2.137 30 10 IEEE Cc1nc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255643834 CXJJEYRFBWQBEC-QGZVFWFLSA-N 447.288 2.034 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255649585 UYIMTHFTQLKUGX-CQSZACIVSA-N 435.305 2.259 30 10 IEEE Cn1cc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2255654055 RFDBHKJAHZEBLY-LJQANCHMSA-N 425.338 2.133 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2255695574 HGLWMXCZOINYJL-PEBXRYMYSA-N 431.342 2.064 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2255695575 HGLWMXCZOINYJL-RCDICMHDSA-N 431.342 2.064 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827672 ZRXYIGQLCJEPCR-KGLIPLIRSA-N 434.346 2.275 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C 2255838062 ZOIGNRGHESQCHO-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE C[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255846979 UKIJRHJHGYIIIN-YPMHNXCESA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256615438 USRHLUUGKXDDIV-UHFFFAOYSA-N 438.305 2.293 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)OCC12CC2 2256669125 KYXDXMWSKVPUDZ-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256926853 CDAXQVQRMWVDQD-IBGZPJMESA-N 425.290 2.386 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258890135 BMIKDNNBWUHWGB-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE CCn1cc(C(=O)NC2(CC)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267177002 HZIXKCIQWYDXTE-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2267273952 TWJPCXYGJZOGQX-UHFFFAOYSA-N 445.369 2.407 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CCC3(CC2)OCCO3)OC1(C)C 2267726951 FZYHPTRONPNGGG-UHFFFAOYSA-N 429.369 2.011 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H](O)[C@H](N)C#Cc1cccc(Br)c1 2278726795 BXUFBMNREKLIIA-BRWVUGGUSA-N 425.323 2.125 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)C=Cc2cccc(OC)c2OC)cc(C(=O)OC)c1 2325610312 BWXAUGKCXCMLMA-UHFFFAOYSA-N 427.409 2.498 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CCN(Cc2ccccc2)CC1 2337201719 YSUGLKXRUHJBQE-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)n1C 2337398035 KIJIBDCADCQICA-LPHOPBHVSA-N 438.381 2.421 30 10 IEEE COc1ccccc1-c1nnc2ccc(OCCNC(=O)COc3ccccc3C#N)nn12 13706265 QZEHXLPRVCVXGP-UHFFFAOYSA-N 444.451 2.246 30 10 IEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C(\C)c3ccc(F)cc3)n2N)cc1 21323332 SWCBJKVWXNGBQG-ZMOGYAJESA-N 443.508 2.384 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCSc3ccccc32)cc1 28665828 XFBRVCQWFJDLRN-HNNXBMFYSA-N 444.534 2.282 30 10 IEEE CCOc1cc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1OCC#N 104078522 ISLAWKXLPFIEKF-IBGZPJMESA-N 447.451 2.110 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1occc1COc1cccc(C#N)c1 439931066 ZCRKQXJEXPJXFM-YRXWBPOGSA-N 438.436 2.295 30 10 IEEE N#CC1(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CCN(Cc2ccccc2)CC1 479283997 MCPKCEWNXXPHGD-UHFFFAOYSA-N 431.496 2.133 30 10 IEEE COc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 479941867 QXBZPSTXVAFIDK-OAHLLOKOSA-N 440.338 2.181 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1Br 546876738 KBYPEFZGOLEUBO-UHFFFAOYSA-N 449.330 2.082 30 10 IEEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCc2cc(F)c(C#N)c(F)c2)cn1 552036693 RVUQQYZTKBKUHL-UHFFFAOYSA-N 437.453 2.362 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2Cc2cccs2)cn1 555436894 VCWYRJPETXMBMS-UHFFFAOYSA-N 431.529 2.382 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccc3C(C)=O)CC2)cc1[N+](=O)[O-] 572920098 PBNULAPLHLKCCP-UHFFFAOYSA-N 444.469 2.189 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 583780755 BJBARBUSXIHYQC-SFHVURJKSA-N 435.525 2.105 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N(C)C2CCCCC2)nc1C 586305142 QTVJJJDCYTZVBY-GDLZYMKVSA-N 441.575 2.273 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)OCCOc2ccccc2)sc2c1CCC2 586346281 HOJDLXQJOLHUME-LJAQVGFWSA-N 432.523 2.418 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c(F)c1 586859298 YVLAZORTNVLPLN-UHFFFAOYSA-N 441.438 2.265 30 10 IEEE N#Cc1ccc(N2CCC(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)nc1 608981279 GFDDVPOGEJOSAH-UHFFFAOYSA-N 434.905 2.325 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c1 609252658 ICPMNXVIUALHFU-UHFFFAOYSA-N 426.448 2.382 30 10 IEEE Cc1nc(CN2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)CC2)n[nH]1 609849550 UOUZBXAEHGTTBZ-UHFFFAOYSA-N 446.559 2.208 30 10 IEEE COC(=O)c1csc(S(=O)(=O)N2CCN(c3cc(C#N)nc4ccccc34)CC2)c1 610245219 KIHJNSJJVIPFIK-UHFFFAOYSA-N 442.522 2.465 30 10 IEEE CC1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732696324 CPUWSURSMXAADG-IBGZPJMESA-N 431.562 2.311 30 10 IEEE N#C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 733254481 XLWSOMKDSUAPRX-HNNXBMFYSA-N 447.314 2.259 30 10 IEEE N#Cc1cccc(CC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 750431116 VZAFKVUDXJEODI-UHFFFAOYSA-N 441.509 2.457 30 10 IEEE C#CC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccccc1 757257895 FQNCKYGNVBJLQS-CTNGQTDRSA-N 440.521 2.459 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761214778 YBQHTVUIOJHCCB-UHFFFAOYSA-N 431.448 2.429 30 10 IEEE NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCOCC2CCC2)cc1 764938618 GLAHASCAOCGLTO-SFHVURJKSA-N 444.557 2.202 30 10 IEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC1CCN(c2ccccc2C#N)CC1 767608974 GRBPULLWWVMDRE-UHFFFAOYSA-N 440.569 2.292 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1nc(-c2ccc(OC)cc2)cs1)c1cc[nH]n1 772125352 RFHJOQHJAIEODL-UHFFFAOYSA-N 429.458 2.464 30 10 IEEE CC(C)(C)NC(=O)CNC(=O)CON=C(N)c1ccc(COc2ccccc2F)cc1 772884667 PTZGUTIWDZKNJQ-UHFFFAOYSA-N 430.480 2.073 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3cnc(Br)cn3)ccc2c1=O 774271996 BMAUUAUCCMAFRW-UHFFFAOYSA-N 432.303 2.354 30 10 IEEE C#CC[C@H](NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)c1ccccc1 775400668 REGUKLAUOYWPLD-FQEVSTJZSA-N 430.508 2.197 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(CCCN(C)c3ccccc3)c2=O)c1 776756319 OGCWTRAAULEDTO-UHFFFAOYSA-N 445.548 2.175 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N1[C@H]1CCOC1 782977853 CVDMPRULBRFJRE-JSGCOSHPSA-N 426.420 2.347 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CN2C[C@@H](O)CC(F)(F)C2)c(C(=O)OCC)c1C 787364481 UTJXQZVMNNRAOQ-LBPRGKRZSA-N 446.472 2.216 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccsc3C(=O)OC)cc2C1=O 800716695 IMTMGNKDJQNDPG-UHFFFAOYSA-N 428.422 2.112 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1)C1CC1 814703155 ITGPRWMZWIIVRK-ROUUACIJSA-N 436.553 2.250 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cccc(I)c2)cc1 916179625 IEGZSVOCUTZNKH-UHFFFAOYSA-N 426.235 2.423 30 10 IEEE N#Cc1cccnc1NCCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 917157225 VKZJLQQJPRYDPW-UHFFFAOYSA-N 444.289 2.060 30 10 IEEE COc1ccc(C=NN=C(N)c2nonc2N)cc1Cn1nc(C)c(Br)c1C 1084298890 QDXVRHVIEJHACB-UHFFFAOYSA-N 447.297 2.024 30 10 IEEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1137335813 FUNDSNBZVMWBKK-RBUKOAKNSA-N 449.596 2.119 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(S(C)(=O)=O)CCCC3)C2)C1 1140161010 SMVKVUDXVVUQQC-LFDOHDQPSA-N 439.578 2.247 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1146468463 NKMUCEMKDOAAKR-NWDGAFQWSA-N 428.352 2.037 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1148426404 FCEIAEOUCLESMC-LSDHHAIUSA-N 426.539 2.431 30 10 IEEE Cc1[nH]nc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c1I 1157295290 MKSMDXMTFJPSIR-UHFFFAOYSA-N 433.213 2.215 30 10 IEEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O)C(C)C 1176373594 UDHPDKGBROKTBT-UYRXBGFRSA-N 445.541 2.200 30 10 IEEE COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 1176504305 CYVGTWSZLCTJJG-MRXNPFEDSA-N 430.461 2.308 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OC 1177964804 UTUZGJHWKCHPST-QUSNUVHPSA-N 438.521 2.188 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1179366577 MTZYBXFEIQBOFO-OAHLLOKOSA-N 427.548 2.002 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)nn1 1193476861 ZUEWDQMYAFZYMW-UHFFFAOYSA-N 425.580 2.099 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OCC 1194187244 QYGRZWXNMHVGAB-LBPRGKRZSA-N 432.296 2.207 30 10 IEEE CO[C@@]1(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCSC1 1251170844 ITBPSTFLOGJWTR-OAQYLSRUSA-N 426.546 2.302 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286291110 BNTFOBJLMUQKBO-RDGPPVDQSA-N 435.594 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@@H](C)C1 1286299737 HUOHZAXFVJYYEP-PMACEKPBSA-N 435.576 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)ccc1OC 1286468682 FTPVOALMKIKFBK-UHFFFAOYSA-N 426.496 2.422 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286475738 HQERVJLMHVIRJZ-FXAWDEMLSA-N 429.952 2.405 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1286516027 BFPKUWWABKNCAQ-IIBYNOLFSA-N 431.562 2.132 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)C)CC1 1286549535 XWTINJARYWUAMP-AZUAARDMSA-N 439.564 2.437 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1286790112 BWSOMYURHHZDJY-SFHVURJKSA-N 442.608 2.302 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(O)c2)C1 1286805895 VFOZFKOZIVNUDJ-FDDCHVKYSA-N 444.532 2.474 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC=C(c2ccccc2)C1 1286819218 DKPJEAQVZLCXOE-IBGZPJMESA-N 441.557 2.124 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1291305453 DHHJOXIGKMOQJN-INIZCTEOSA-N 426.521 2.259 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1295315471 WFVGJSQTYFVZQK-PMACEKPBSA-N 449.559 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300275659 XWKFINZTMPUIHD-RBUKOAKNSA-N 441.601 2.488 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCN(CC)CC1 1300314793 JPWMVMHIPUZALV-FQEVSTJZSA-N 434.592 2.002 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1300457388 CPYPYEYZYYOOLT-HOTGVXAUSA-N 428.537 2.088 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1300496272 PBRBHPDEOQNWIL-QGZVFWFLSA-N 434.537 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1300506780 YMSNNFCIMBKQIN-IBGZPJMESA-N 449.555 2.483 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCOC1 1300509078 FGGURRNNINDHHA-GOSISDBHSA-N 425.920 2.361 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)C(C)(C)C 1300656949 QTTDMAZYWVUVGV-UHFFFAOYSA-N 428.493 2.102 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](CCC)OC)CC1 1300699911 JMIUUTIRPIRVLE-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1300779203 RFDOGDGWMRYAFQ-FGZHOGPDSA-N 443.935 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301569185 SALRJZOGJRVZEO-HOTGVXAUSA-N 441.598 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1301589282 QAJQVJGSNBNAGP-IKGGRYGDSA-N 426.583 2.023 30 10 IEEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)cc1 1302130816 SGYFLWKAZFUIAI-KRWDZBQOSA-N 426.521 2.183 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1302870462 RBVROHHJPHDPCD-QAPCUYQASA-N 437.504 2.459 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 1303685787 FAWHEIPWZRVLPE-JTDSTZFVSA-N 438.546 2.112 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)CN2CCOCC2)cs1 1304664282 OBSWAXFQHTYBKQ-INIZCTEOSA-N 429.594 2.342 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3cc(Cl)ccc3Br)C[C@H]1CS(=O)(=O)C2 1312913284 ARWMOFHXXDMNQU-NHYWBVRUSA-N 432.727 2.182 30 10 IEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1315782062 OYJMOMIKMOILRV-KKSFZXQISA-N 429.546 2.114 30 10 IEEE COCCN(C)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1316066966 CPWQLYFIDYHIOE-QFIPXVFZSA-N 449.559 2.311 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1316212329 WRZRSMJIECQCDN-VNTMZGSJSA-N 434.585 2.099 30 10 IEEE C=CS(=O)(=O)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1335259764 KNCHUTGROAVKKO-JZJYNLBNSA-N 427.548 2.167 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCN1CCOC[C@H]1C 1358899086 HAGDFLXHXKHILT-RBUKOAKNSA-N 427.549 2.434 30 10 IEEE C#CCCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936324 KVBGMNQLHTYBDZ-FGTMMUONSA-N 442.564 2.273 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccncc1 1358949786 NCEHLDWLLCLKLN-SFHVURJKSA-N 426.521 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)OCO2 1358982363 UKBHHTORITWUBY-UHFFFAOYSA-N 433.493 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)[C@@H](C)CC 1358988986 KTEGTYQSDDHICG-MBSDFSHPSA-N 432.532 2.181 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359052937 VVNOSCGWKTVKQK-INIZCTEOSA-N 443.573 2.386 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359222109 YBLRKKYVDVHCEK-HNNXBMFYSA-N 432.491 2.082 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359930424 HSTQYRXAMADFQL-NRFANRHFSA-N 437.610 2.327 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C(F)(F)F)c1 1438754472 IPQYSHLIOGCZEA-MRXNPFEDSA-N 443.403 2.206 30 10 IEEE CCCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1456093869 ORQVFOFWPPSHQN-UHFFFAOYSA-N 428.352 2.184 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1457392919 FNTZXNVSTAZHEP-ZDUSSCGKSA-N 449.392 2.162 30 10 IEEE COC(=O)C(C)(C)c1csc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1466639737 GHHILZBZOVZIHK-NEPJUHHUSA-N 437.522 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 1466679836 IEBFQNDCICZHDP-MJGOQNOKSA-N 447.557 2.428 30 10 IEEE Cn1cc(CNC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 1466803045 ZCTDTJVSEDZTOS-PZJWPPBQSA-N 444.413 2.386 30 10 IEEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(CCC#N)CC1 1471237131 HSFSHUMHSBXBSQ-UHFFFAOYSA-N 432.480 2.163 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)C1 1471833409 XQNZDOFZBUOKQL-IBGZPJMESA-N 441.553 2.348 30 10 IEEE CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ncc(Br)cn1 1473799299 VGMJTJQLJSJYBZ-UHFFFAOYSA-N 426.278 2.367 30 10 IEEE Cn1cc([C@H]2C[C@H](NS(=O)(=O)c3cccc(Br)c3C#N)CCO2)cn1 1475446326 HYIHYBKEJXGVTN-IUODEOHRSA-N 425.308 2.253 30 10 IEEE COc1nc(N2CCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)ncc1Br 1476943702 BBADEAKUKIOTNN-UHFFFAOYSA-N 432.282 2.177 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CCOC34CCOCC4)c(C#N)c2N)cc1 1479538343 KEUULYCHZLXDLB-HXUWFJFHSA-N 438.532 2.205 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(=O)N(C)C 1504434781 FYJLALSFYQWLRX-OAQYLSRUSA-N 430.484 2.176 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1505136080 AHARQKPNWOBYTA-WMZOPIPTSA-N 432.525 2.037 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)noc1C 1507520828 GUABYWQNTRMKBD-CQSZACIVSA-N 442.545 2.306 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1507548638 VQTRCKJJUHNNKC-AJYBTWMASA-N 431.581 2.150 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507631507 QDYYMLYVKUMHBD-HXUWFJFHSA-N 433.622 2.294 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(n1)CCCC2 1507704360 YQXZFHKLAZHFIG-DEOSSOPVSA-N 439.560 2.338 30 10 IEEE C=C(Cl)Cn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507872321 DBUMYNSUMJSNMP-NMWPEEMBSA-N 425.917 2.363 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507884964 ONDUFPWYUVQPJI-JKSUJKDBSA-N 447.527 2.221 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1507958092 ZRJHEFURMICGCG-UHFFFAOYSA-N 437.548 2.207 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1CCS(=O)(=O)CC1 1507970952 NOCPLBQWMSKGKQ-UHFFFAOYSA-N 442.383 2.493 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc(C(C)(C)C)s2)C1 1508111165 WXBGOIOVFSXRMC-AWEZNQCLSA-N 433.582 2.395 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1508160408 UGKOEJSVTWEQHZ-HUUCEWRRSA-N 434.591 2.491 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1509756034 IDRRYZQGSJYDHP-UYAOXDASSA-N 438.532 2.259 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 1516978522 ARPJRFHOTJLEPB-HKUYNNGSSA-N 435.557 2.493 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cn2ccc(C)cc2n1 1519277661 ODHHSHMZRQMEEV-IERDGZPVSA-N 427.484 2.449 30 10 IEEE COCCOc1ncccc1Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C#N)C1 1519357732 WHXHUKGRHICHRK-LJQANCHMSA-N 426.521 2.208 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cccnc3-n3cc(Br)cn3)CC2)nc1 1527961300 BJDJYFJFQRNKMR-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 1535259210 KRYXDVUGBRKBSX-UHFFFAOYSA-N 441.415 2.229 30 10 IEEE CC(C)[C@H](C(=O)Nc1ccc(C#N)cc1I)N1CCCS1(=O)=O 1535357422 MNXQJGZTTRNUKZ-CQSZACIVSA-N 447.298 2.161 30 10 IEEE C#CC[C@]1(C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)CCCN1C(=O)OC(C)(C)C 1537879561 CIQMTYHUDFHCFN-MEHSZGBBSA-N 434.533 2.396 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1C 1539284104 HMZXAKRAIWRWJG-IZAXUBKRSA-N 437.548 2.212 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2nccc(C(F)F)n2)CC1 1539454019 GNBJSYOVWJTVAL-UHFFFAOYSA-N 429.500 2.462 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCOCCS(C)(=O)=O)CC1 1539858981 GPJVSZKVSJBPHS-UHFFFAOYSA-N 438.525 2.214 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@@H]1CC)c1ccccc1 1539948601 QJYOEDSPIWUTOC-PMACEKPBSA-N 436.560 2.475 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1Cc2ccccc2O[C@@H](C)C1 1540874841 TWSDNNMFQQMROB-SFHVURJKSA-N 435.532 2.229 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC=CCC1 1541108691 ZUBDFUCCVYKPMX-KRWDZBQOSA-N 428.562 2.206 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC1CC1 1541474739 FFPAHGRMCWWQFK-UHFFFAOYSA-N 435.576 2.197 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1cccc(Br)c1)c1cc[nH]n1 1542500984 BRZFIDRSROVSQC-LBPRGKRZSA-N 437.294 2.203 30 10 IEEE N#Cc1ccc(N2C[C@H]3CN(C(=O)c4ncccn4)CC[C@@]3(CO)C2)cc1C(F)(F)F 1548366765 VORYVGKCGQNMAH-QRWLVFNGSA-N 431.418 2.328 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1555070324 HHXYTKRKHTYFSV-AUSIDOKSSA-N 442.539 2.166 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC[C@@H]1C 1555189437 WKMYBCMNSWCSQJ-JXFKEZNVSA-N 426.521 2.116 30 10 IEEE CSc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)ccn1 1555871945 HVVRAKROTJLKTG-KRWDZBQOSA-N 446.602 2.475 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 1566641634 VLDGBNDZQGUJLO-LBPRGKRZSA-N 449.982 2.103 30 10 IEEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](c1ccccc1)c1nc[nH]n1 1570180438 MOQVAXDFFBOIRA-AZUAARDMSA-N 443.467 2.129 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@](C(=O)NC)(C(F)(F)F)C3)ccc2c1=O 1583482022 ZNDOFDPZFPCEFN-GOSISDBHSA-N 440.447 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCN(CC)C1 1587663288 WHRFZSYBAFGUTM-XZOQPEGZSA-N 449.647 2.443 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccsc1 1587985311 YNOFSSQECALQOT-QFIPXVFZSA-N 437.573 2.491 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1589077848 CUGBSHBAPIUJLA-UHFFFAOYSA-N 446.665 2.368 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CC1 1594430053 HBDLBTZOGDLFHA-UHFFFAOYSA-N 429.496 2.257 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1594669172 QAHUUCUQBUAQIQ-IEBWSBKVSA-N 441.532 2.474 30 10 IEEE Cn1cc(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)c(I)n1 1595543153 NHXIHIPMAHOADU-UHFFFAOYSA-N 432.225 2.216 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cs1 1612418878 CIDKJQYXNLOWOV-SFHVURJKSA-N 442.570 2.448 30 10 IEEE CCN1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1615869525 GNQJXTVLODVBMQ-SIUCFOQUSA-N 441.580 2.068 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc21 1616347279 PEZUQILNKXSASL-LZICOFPGSA-N 426.473 2.168 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CC4CCOCC4)CC3)C2)C1 1618016210 MMSUEJVCEJKXJE-VIHQBZHPSA-N 446.592 2.344 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)c(Cl)c1 1618197754 HJUNWZFLGHVVKV-UHFFFAOYSA-N 449.898 2.132 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2(C)C)CCO1 1618689426 KJWDJKAXKPLFES-ZWKOTPCHSA-N 440.573 2.300 30 10 IEEE COC(=O)C1CC2(C1)CN(C[C@@H](O)COc1ccccc1C#N)C[C@@H]2C(=O)OC(C)(C)C 1620571661 BTWASRRAMWPAEZ-AAXCNWCCSA-N 444.528 2.141 30 10 IEEE COC(=O)C1CC2(C1)CN(C[C@H](O)COc1ccccc1C#N)C[C@@H]2C(=O)OC(C)(C)C 1620571663 BTWASRRAMWPAEZ-GIIQAUJJSA-N 444.528 2.141 30 10 IEEE COc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)c(F)cc1C#N 1623344281 BPQSATFFOSBXIY-QFIPXVFZSA-N 440.431 2.429 30 10 IEEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1625144506 RMNMSMROVNVZIM-PYQXHLOTSA-N 440.544 2.247 30 10 IEEE CCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC#CCN(C)C)ccc2OC)cc1 1631849592 RABSXCHLDZBYAA-UHFFFAOYSA-N 429.542 2.353 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)C1=O 1634109394 AADIBORKNWXASW-AEFFLSMTSA-N 446.552 2.099 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)n[nH]2)c1C 1634673120 BCPMFOKYNLUCJP-KRWDZBQOSA-N 425.537 2.294 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1635421843 YTNHKBOZCMKRGL-OAHLLOKOSA-N 427.461 2.106 30 10 IEEE Cc1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc(C(N)=O)c1 1635990141 DIWFPRFSNIQPTB-QGZVFWFLSA-N 428.514 2.186 30 10 IEEE O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)N[C@H]1CCN(O)C1=O 1636353104 QTRAWAVVCDEROE-INIZCTEOSA-N 432.274 2.350 30 10 IEEE CCOC(=O)[C@H](CSC)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1638238611 PYASRSNATBWRBT-AWEZNQCLSA-N 426.336 2.168 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C3(C)C)CC2)c1C#N 1638688808 IPKLIAGTBCIOGT-DLBZAZTESA-N 430.553 2.188 30 10 IEEE COc1ccc(S(=O)(=O)NCCC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1OC 1643327813 BLHQQQMIRRDAEH-HNNXBMFYSA-N 431.514 2.463 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CC[C@H](Oc4cnccn4)CC3)C2=O)cc1 1643437207 QYIPCXMESFLFRI-WDSOQIARSA-N 448.483 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCC[C@](C#N)(c3ccccn3)C2)CC1 1644102744 RFVDQXHBLNUFNR-HSZRJFAPSA-N 427.549 2.408 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(n2cc(C(N)=O)nn2)CC1 1647780418 CUEADDCXNZCFRB-CYBMUJFWSA-N 441.561 2.243 30 10 IEEE CSCC[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 1654706442 HUGZGLKSCHMHBC-WOJBJXKFSA-N 437.521 2.468 30 10 IEEE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1658966034 DPHLQAITCJKIDB-PMACEKPBSA-N 429.498 2.379 30 10 IEEE C#CCN(C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)[C@H]1CCCc2ccccc21 1669122422 LPQMJUAGQKBUAQ-CTNGQTDRSA-N 433.574 2.197 30 10 IEEE C#C[C@@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)c1ccc(Br)cc1 1674031323 RVTOCLILRDAMDT-MRXNPFEDSA-N 440.294 2.409 30 10 IEEE Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)NCC3(C#N)CCOCC3)C2)cn1 1676738279 RURNVQJPJYLNGR-IRXDYDNUSA-N 431.537 2.197 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)cc1 1681108609 BXFWDOYGMUPVEY-MRXNPFEDSA-N 425.439 2.474 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(C)(C)O)c1 1689872307 UMXULQCLODYCPG-UHFFFAOYSA-N 438.557 2.461 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689987919 FLGHJQOWLSAGLI-DLBZAZTESA-N 440.573 2.003 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCC 1690019293 FKJWRKNUWKVRQY-FDDCHVKYSA-N 445.564 2.210 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccn(C)n2)CC1 1690135539 YWWOUFNDILIKLI-UHFFFAOYSA-N 437.573 2.116 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCC(C)(C)COC)CC1 1690146086 FNSRLDUOGXYFGZ-LJQANCHMSA-N 431.581 2.201 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)CCOC 1690206470 RWJCJOHVAKSXAD-NZQKXSOJSA-N 425.533 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1690212197 BZVNRWXPCAMBQQ-OAQYLSRUSA-N 439.541 2.298 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1690308249 HEHNCWFUYUQFRM-UHFFFAOYSA-N 449.559 2.295 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1)C1CC1 1690544796 BDLLPTAMTPZFOX-LJQANCHMSA-N 429.590 2.467 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1690668593 BBZLGRIOEQVNJU-RHSMWYFYSA-N 427.534 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2nccs2)CC1 1690668684 FDEIWOWYGXBNDV-UHFFFAOYSA-N 438.561 2.124 30 10 IEEE Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)cs1 1693382056 QQOIEEPMMFEVKF-JOCHJYFZSA-N 437.573 2.209 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1695509211 ZBYQFIIVMKUIEN-QUCCMNQESA-N 438.532 2.212 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C 1695874447 BACCHLUGIDVKLI-UXHICEINSA-N 437.592 2.315 30 10 IEEE COc1ccc(O[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697472356 DXGYCYVNIHJNAH-UTKZUKDTSA-N 434.500 2.469 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1698070081 SDJJDNPTENSDOH-UHFFFAOYSA-N 427.505 2.497 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)cc1C 1698169813 IZKIPRKGNDLKCS-YLJYHZDGSA-N 428.537 2.154 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705561902 VOYOIRWYJOGXHX-KRWDZBQOSA-N 436.965 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564269 ACCUSMMTJJJZJY-GOSISDBHSA-N 444.605 2.164 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1705588210 ZPOJCPUAKBKJHD-UHFFFAOYSA-N 430.553 2.183 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1705612158 AVCHMHFIHYCXPW-FQEVSTJZSA-N 429.590 2.162 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1705614352 GDCNAMPUSRRVOR-HNNXBMFYSA-N 443.495 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705630282 MYAOHHZDTOAADJ-GOSISDBHSA-N 443.514 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CC=CCC2)CC1 1705650645 WEEXNQGIVZIUJY-UHFFFAOYSA-N 438.601 2.158 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1705825466 UMKYBBZWPJLJPI-IRXDYDNUSA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(F)(F)F)CC1 1705894492 AOOAPDNBWGFFBS-UHFFFAOYSA-N 437.426 2.006 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccsc1 1706608960 SBTYYUOPHHSQGQ-UHFFFAOYSA-N 437.529 2.255 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1707218949 FKCCPAVGXUIOEZ-RXVVDRJESA-N 429.546 2.071 30 10 IEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCN(C)CC1 1712753615 FBBATZSVMFVIOD-UHFFFAOYSA-N 444.630 2.213 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1712829198 GTJFZWSVLAJBDZ-KRWDZBQOSA-N 435.575 2.105 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1722387692 PLTJVLRAYIJCER-UHFFFAOYSA-N 445.449 2.029 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CCC2)CC1 1722434493 SYMOZEBXKSOBMJ-UHFFFAOYSA-N 427.574 2.294 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722484708 WNUNGVGCMPMANU-CQSZACIVSA-N 447.399 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](OCCOC)C1 1722508702 KGWMGCBMGDETLC-CBQOVEMMSA-N 427.549 2.487 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1722659370 UNKIAXRJSOZLOQ-UXHICEINSA-N 446.573 2.178 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1729594757 BHRHPAPDFBBLRT-SFTDATJTSA-N 425.493 2.050 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)CC1 1731189832 RMJVAVAEMRLMBB-UHFFFAOYSA-N 434.591 2.096 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1740552884 YIXQCHOIYMXNKR-INIZCTEOSA-N 430.516 2.489 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1740575607 UKRGFBWSJPDJII-QGZVFWFLSA-N 449.602 2.039 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](COC)C1 1740582229 LRRZJOIYVDLBGQ-KRWDZBQOSA-N 430.505 2.236 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740599259 VVSGGFOYIGUCGB-UHFFFAOYSA-N 441.499 2.241 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740623913 AACDPQCLMUFDQR-HOJAQTOUSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn2ccccc12 1740648854 KXYRROVWAAIYGZ-DEOSSOPVSA-N 432.528 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2ncccc2c1 1740657338 RCKJEEJDLOUVEW-FQEVSTJZSA-N 433.537 2.240 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CC1(C(N)=O)CCOCC1 1740674621 NVYSATGAHJAEPN-UHFFFAOYSA-N 425.533 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1740701655 NXZGDUCWQTZANG-GCJKJVERSA-N 446.555 2.455 30 10 IEEE C=C(C)Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@@]1(OCC)CCOC1 1740784880 AHXHVDCNSFJOFQ-HSZRJFAPSA-N 439.516 2.239 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)OC)CC2)nnc1C1(c2ccccc2)CCC1 1740965805 SQMWXSIKGKOOQH-UHFFFAOYSA-N 437.544 2.440 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)C1 1740982854 XQPROKUODHUHAF-DLBZAZTESA-N 437.541 2.014 30 10 IEEE CC(C)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741607149 LSBDWQDTEHDNJH-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1744924245 HKKWHKULXGOJAY-IBGZPJMESA-N 436.520 2.282 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN1CCCC1 1747995076 HBGRHOMHUFXBFD-UHFFFAOYSA-N 444.605 2.420 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC(C)C 1748638531 QSEJKULBWOYLDA-OAHLLOKOSA-N 430.940 2.234 30 10 IEEE C#CCCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1748764290 KBGSYCYFPOHUTB-HSZRJFAPSA-N 439.564 2.077 30 10 IEEE COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1748797058 IHIHVEOPSHOBAM-OAHLLOKOSA-N 441.879 2.183 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)cc1 1748876986 BBIWRHDZRPVTDZ-HXUWFJFHSA-N 426.521 2.080 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCC(F)F 1748888340 UBSHIGPNJRPWCV-UHFFFAOYSA-N 426.427 2.339 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CC3(CCOCC3)C2)CC1 1748971284 KLHYKILLNPIDGI-UHFFFAOYSA-N 442.608 2.159 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(C)O 1749056806 UJLDWJLILAZWGZ-JOCHJYFZSA-N 445.589 2.349 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749210716 NKEDUYRUKCCNRG-FPOVZHCZSA-N 432.613 2.373 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749368350 SBVIVRVJOUFZIU-MSOLQXFVSA-N 429.500 2.097 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749462517 ZPOTWJUQYHSDNP-GOSISDBHSA-N 431.541 2.126 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CC1 1749540792 BTRROEUPFNGPNU-UHFFFAOYSA-N 449.552 2.325 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1749676691 ZOUVQFVJYLOUTL-JOCHJYFZSA-N 445.571 2.277 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749681232 YXQNFROHIXXETF-QZTJIDSGSA-N 441.532 2.031 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1749683798 GSMACBXFWVFSJK-MRXNPFEDSA-N 442.545 2.218 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1760100687 XSGBLCXFCBECQT-HXOBKFHXSA-N 425.533 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1760117550 QFMIBBXHSQUCSF-MAUKXSAKSA-N 432.546 2.462 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760149700 CFHQUFOTHZQQFN-UHFFFAOYSA-N 446.515 2.082 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760185454 XLEYJXSNDQDGIC-FXAWDEMLSA-N 427.574 2.055 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1-c1ccccc1 1760211442 HIHSYDWLVDEHNY-XMMPIXPASA-N 445.527 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@H]1C 1760217365 ZMKXRVQLKQEKCX-CYFREDJKSA-N 430.512 2.134 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1760238573 APTQPZZJKZZOIP-INIZCTEOSA-N 428.541 2.469 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)[C@H](C)CCC)CC1 1760257663 DFFOSHDCNCSYOJ-LJQANCHMSA-N 438.576 2.261 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCOC(C)(C)C)CC1 1760264853 YBIJMKOJVNKJTR-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccs2)CC1 1760266143 QRELAHZPNWQCGO-QFIPXVFZSA-N 443.573 2.006 30 10 IEEE C=C(C)Cn1c(N(C)Cc2ncnn2CC(F)F)nnc1[C@]1(OC(C)C)CCOC1 1760349780 ZRSJXMOQXRAXHU-IBGZPJMESA-N 425.484 2.388 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760431251 IZFBWQKFHQMUKW-UHFFFAOYSA-N 435.488 2.447 30 10 IEEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760475279 AZRKXGMEMGDNQM-INIZCTEOSA-N 449.552 2.433 30 10 IEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760508684 DXSRNBQBYULKFN-AWEZNQCLSA-N 447.337 2.458 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760554895 QCEFLSIFSGIGJP-INIZCTEOSA-N 441.598 2.135 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760567601 HFIICBUNUWCLJX-UHFFFAOYSA-N 446.621 2.159 30 10 IEEE CC(C)[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1760865909 GCMILJFKURFSGN-YADHBBJMSA-N 442.543 2.301 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCSC(F)(F)F)CCOC1 1761291106 HUSXVSUPHONSQW-CJNGLKHVSA-N 435.472 2.300 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1761531093 QZQBBMVZZKSOOA-FHLIZLRMSA-N 433.896 2.216 30 10 IEEE CN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1767099980 CWBWFBLXXJIGNY-GHVJWSGMSA-N 443.511 2.427 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CC1 1768213889 FYZBIRYZJIUHHY-QVKFZJNVSA-N 431.562 2.237 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1[C@@H]1C[C@H]1CF 1771214435 SHOSTFNSCYWLIB-RYQLBKOJSA-N 429.500 2.126 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1771241884 YYDYMMXKMVQZIX-SIKLNZKXSA-N 443.573 2.317 30 10 IEEE Cc1nn(CC(=O)N2CCCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)c1S(=O)(=O)N(C)C 1848499323 YVZKUTKWYPPMRY-PMACEKPBSA-N 443.573 2.439 30 10 IEEE C[C@H](C(=O)N1CCCc2nc(C#N)cc(Br)c21)n1nnc2ccccc2c1=O 1849314039 HBXCPTLNMVSMRY-LLVKDONJSA-N 439.273 2.361 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C(=O)O2)CC1 1856596868 JTYBOLAMOUEWQX-HNNXBMFYSA-N 429.857 2.005 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2csc3cnccc23)C1)[C@@H]1CCN(C)C1=O 1857042913 HJZORZXIEIKRBV-CRAIPNDOSA-N 426.542 2.394 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2)C1 1858334156 CXMCIQHYPWFGDE-KRWDZBQOSA-N 439.946 2.094 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862558163 URIHNWRIPZGROP-OAQYLSRUSA-N 437.496 2.188 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1864949757 YOAFWGUWBSTHBK-NSHDSACASA-N 439.350 2.050 30 10 IEEE CCCN1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782880 MKLKQHNFYCGLCT-MJGOQNOKSA-N 431.606 2.084 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(N)=O)cn1C[C@H](O)c1ccc(Cl)cc1 1870668285 UTPGENGXXNZWCN-FQEVSTJZSA-N 431.920 2.273 30 10 IEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCN(CC)CC)ncnc21 1875229385 XADVTPKMSAASBF-UHFFFAOYSA-N 441.580 2.099 30 10 IEEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC[C@@H](COc3cc(C#N)ccn3)C1)CS2 1891143688 LHDNPJJCDNLNPR-IAGOWNOFSA-N 425.514 2.173 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1984912509 GJSKYWHKYXPTFK-OAGGEKHMSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2063391937 BHEJHKFSJRIJTA-DOQJBMMISA-N 436.358 2.299 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523323 DUTVGVVZYBRPKY-MRXNPFEDSA-N 448.325 2.381 30 10 IEEE C=C(C)CN(CC)C(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195276270 GKFBDHUUKQBAHF-YVGXBJCXSA-N 438.546 2.318 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2232314953 ZUELFXHVBMCNHV-DLBZAZTESA-N 445.369 2.453 30 10 IEEE C=C(CS(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)B1OC(C)(C)C(C)(C)O1 2243417157 QLSDRBPWFJATGP-HNNXBMFYSA-N 430.376 2.397 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251309874 BXPMNNDWOMHIRA-XEHSLEBBSA-N 438.359 2.278 30 10 IEEE Cc1c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255628308 GJRVHIUWOKIMCE-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255878316 WUNKENVQFLQTIV-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE C#CCOCCOCCNC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256697843 AAICNUDZUVJFGK-UHFFFAOYSA-N 446.544 2.223 30 10 IEEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258955741 SWURHOCQBMFFOC-SJORKVTESA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259927156 UWDKJMHLMURSEI-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE Cc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143593 KGOYSEWBLISHCQ-LPHOPBHVSA-N 438.381 2.278 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267144028 QOXYYOWXJOOXKQ-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267144180 SJLNBBUNHHBTNE-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267168468 RNGCWRNDPBMSKL-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267216763 XJIOSNCMXZGGCX-PKOBYXMFSA-N 436.365 2.416 30 10 IEEE CCN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267272993 GWXARDBMVKJPLW-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 2267527559 JGKRMYKJAXLSDF-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)OC1(C)C 2267605880 QRZHKARLIJUWER-UYAOXDASSA-N 434.349 2.122 30 10 IEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2268992510 ZTFDXKPILALGDW-SFHVURJKSA-N 441.289 2.091 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2312854220 YUXOHGJUJFASBI-TUVASFSCSA-N 438.330 2.438 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)C#Cc1ccccc1Br 2313884303 FYQATICRYUKQEM-AWEZNQCLSA-N 430.320 2.308 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2337198163 GFIPWYMNODNFFX-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)cc1 16877352 NTUUKNJRVLNFOV-UHFFFAOYSA-N 440.554 2.443 30 10 IEEE N#CCCCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 24917309 JSDATELBNYKBNQ-UHFFFAOYSA-N 431.308 2.321 30 10 IEEE N#CCCN1CCN(c2ccc(C(=O)O)cc2NS(=O)(=O)c2cccc(F)c2)CC1 32961972 BITQUFAIWCASOH-UHFFFAOYSA-N 432.477 2.360 30 10 IEEE COc1ccccc1/C(C)=N\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 34896625 NANMYVSQLFWYLX-ZHZULCJRSA-N 434.474 2.460 30 10 IEEE N#Cc1cccc(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)c1 35425793 DUSDGCLMJJECMC-UHFFFAOYSA-N 445.508 2.108 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)c(OC)c3)n2)s1 58995685 GZNMVVKMAUEFHS-QGMBQPNBSA-N 448.534 2.413 30 10 IEEE CN1CC[C@@]2(CCN(CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)C2)C1 429031598 VJBYHAHJWGUSNL-HOYKHHGWSA-N 425.577 2.384 30 10 IEEE Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1Cc1ccccc1 444830309 VKPYLOXCORLYRR-UHFFFAOYSA-N 449.536 2.029 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 460781700 JVWKZYZKLOZJDS-SFHVURJKSA-N 449.533 2.459 30 10 IEEE N#Cc1ncccc1OCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 477083159 IFPLEFOSMLHYDQ-UHFFFAOYSA-N 426.498 2.096 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)cc1 479635650 GZYGZJDMYOIHSE-UHFFFAOYSA-N 445.567 2.378 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 508838804 AFDMCSIKIZWFKW-QMHKHESXSA-N 436.516 2.152 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 509501000 CGIACZWNSPEBQB-GOSISDBHSA-N 442.541 2.345 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3ncccc3c2)c1=O 523477888 FHGPHQRQCQYPKI-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE Cc1nc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(=O)[nH]c1C 539941327 WZSUQGLLFZDQGU-MRXNPFEDSA-N 430.306 2.172 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)n1 541103531 QAFCDUWMKQBLOO-KXBFYZLASA-N 449.920 2.255 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)n1 542960980 FRLDGSAJLHHGTM-AWEZNQCLSA-N 429.912 2.106 30 10 IEEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 555326367 URDSUZSZDQDWFC-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 567115191 OERRTTJXNWEYLA-HXUWFJFHSA-N 441.532 2.222 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1cnc2ccc(C#N)cn12 571327669 ALOLHYOULWBOCB-UHFFFAOYSA-N 441.513 2.238 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CCC(C)C)n3C[C@@H]3CCOC3)CC2)c1C#N 583335563 WJOZQNNDLGUHDH-SFHVURJKSA-N 426.569 2.143 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnccn1 584363360 FWJRDYAABHPLPE-UHFFFAOYSA-N 427.534 2.198 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C#N 732563192 TXPZDSDJPGBGRV-OAHLLOKOSA-N 431.521 2.105 30 10 IEEE CC1CCN(c2nn(CN3CCN(C4CC4)[C@H](C#N)C3)c(=S)n2C[C@@H]2CCCO2)CC1 732673179 XERSACUABQRBGH-UXHICEINSA-N 445.637 2.459 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C[C@]2(C)CCOC2)C1=O 733075758 WPOWSCNQJXBILA-UWJYYQICSA-N 436.553 2.252 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)ccc1F 733946988 SFGRQDJGTBSQKZ-SFHVURJKSA-N 431.489 2.215 30 10 IEEE CN1CCC[C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1cccs1 741710754 HRJWKFAPMFSEFB-QRWLVFNGSA-N 446.598 2.376 30 10 IEEE COc1ccc(CNC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1C#N 746773878 ZXPPPJWDOYOVHP-GOSISDBHSA-N 446.504 2.358 30 10 IEEE COc1cccc(C#CCOC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 749041258 SMRBHJGQMFPIAC-GOSISDBHSA-N 432.498 2.296 30 10 IEEE O=C(O)C#CCNC(=O)[C@H]1CO[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757488395 DXUHBQWDWZCCEV-SJORKVTESA-N 448.475 2.134 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)[C@]12CCCO2 758865965 AGDVGYORPUYGFL-VDVULAQNSA-N 442.541 2.352 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(Cl)cc2)C1 760299436 MAPOHMRTMGWPKK-LSDHHAIUSA-N 437.953 2.211 30 10 IEEE CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760781522 UZCCEXYLKVIGTL-UHFFFAOYSA-N 449.330 2.082 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCc2ccco2)C1=O 763468004 YHLSKRSLXPHGMC-LJQANCHMSA-N 439.541 2.393 30 10 IEEE COC(=O)C(C)(C)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 766164756 YWEDFLVLVLLRFU-IBGZPJMESA-N 443.525 2.172 30 10 IEEE Cc1cccc(-c2noc(COC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)n2)c1 767680608 MUKYVLLCECVWRC-CQSZACIVSA-N 426.454 2.327 30 10 IEEE Cn1nccc1CCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 772772230 JZIOTKZEQUHELG-QGZVFWFLSA-N 439.516 2.266 30 10 IEEE COC(=O)N1CCC[C@H]([C@@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 773059627 AGKGFQQPSMZHMD-YPMHNXCESA-N 430.324 2.466 30 10 IEEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 774047300 GDQSKZOZSHDVSC-IBGZPJMESA-N 446.550 2.315 30 10 IEEE C#CCN(C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3)[C@H]1CCS(=O)(=O)C1 774047883 HDFVPCDTIWFISC-VIFPVBQESA-N 429.426 2.272 30 10 IEEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 774210719 BRORIYAUCFWVAM-ZWKOTPCHSA-N 441.594 2.292 30 10 IEEE CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(S(N)(=O)=O)cc1C#N 774518526 UQHXNEIBQYFMMY-AWEZNQCLSA-N 429.420 2.101 30 10 IEEE C#CC[C@@H](NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)c1ccccc1 775400670 REGUKLAUOYWPLD-HXUWFJFHSA-N 430.508 2.197 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)n(C2CCCCC2)c1C 786861384 KUQZKQDNXWYDNB-IBGZPJMESA-N 427.505 2.301 30 10 IEEE C=CC[C@]1(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790763149 GLGOZCBEPVTIEY-JXXFODFXSA-N 429.583 2.166 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 790854716 XCLDPEJUESAVLV-ORYQWCPZSA-N 442.578 2.185 30 10 IEEE CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(c2ncccc2C#N)CC1 791029164 YXJLHPASPMMNEJ-UHFFFAOYSA-N 435.509 2.440 30 10 IEEE Cn1nncc1-c1csc(=NCCc2ccccn2)n1N=Cc1cnn2ccccc12 794853219 VIGPJHDGWJADHE-UHFFFAOYSA-N 429.513 2.413 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 800773761 LPJZCLZAQIELCO-SFHVURJKSA-N 425.411 2.394 30 10 IEEE COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2ncccc2C#N)CC1 802469809 TUVLKPSVCOXEJO-HXUWFJFHSA-N 447.499 2.030 30 10 IEEE C#CCN=c1nc(N2CCC[C@]3(CCCOC3)C2)[nH]c(N2CCC[C@@]3(CCCOC3)C2)n1 804532199 QFTXLGFTZRKPQA-PSWAGMNNSA-N 440.592 2.133 30 10 IEEE Cn1c(=O)nc(O)c2c(NN=C3C(=O)Nc4ccccc43)n(Cc3ccccc3Cl)nc21 1088651750 VKRLEHPVYYESMI-UHFFFAOYSA-N 449.858 2.306 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnc3n2CCOC3)c1 1125245129 LLMDEEILOZLBJT-NKFKGCMQSA-N 431.518 2.259 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1nn(C)c(C)c1C#N 1130388269 CRVLVOXCHXCUHM-UHFFFAOYSA-N 431.518 2.426 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CCO2 1133450157 PMUNHTHVPJNKFC-BITMVSNFSA-N 445.903 2.182 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)s1 1142357751 VZTJOSYUXJYGFS-HOTGVXAUSA-N 441.619 2.298 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3CCC(C)CC3)CC2)s1 1146822504 LCSSSYSGSABFHR-UHFFFAOYSA-N 425.620 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1148495838 YVHXXNCJMCXBFC-LJQANCHMSA-N 425.482 2.252 30 10 IEEE C#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1160147783 XLQYBTCTFXHFQH-CYBMUJFWSA-N 443.344 2.425 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 1194425160 ADUUNWMSTKKNRD-PMERELPUSA-N 433.574 2.326 30 10 IEEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1194992318 BXAMPFGMMRCRMG-LEWJYISDSA-N 432.609 2.265 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 1217653201 SYZKVMHKWYASAN-LBPRGKRZSA-N 428.230 2.419 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286387081 NTNLWNZWLJUTLQ-MSOLQXFVSA-N 445.564 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1 1286397645 ONWJVJDWRCSZNN-QUCCMNQESA-N 439.947 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SCC)c1 1286430969 LMLLJXSTGRPWQH-SFHVURJKSA-N 443.598 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1286463646 RLSODPFBOYROAU-UHFFFAOYSA-N 432.546 2.007 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCc2ccccc21 1286466388 GHBLTLPXDADSAD-UXHICEINSA-N 442.585 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2C[C@H](F)C2)CC1 1286487953 IKZRGFVYDLVTCP-LTMIRXACSA-N 447.555 2.034 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(C)s1 1286527641 GBZRSWSLOBSIRX-LJQANCHMSA-N 427.559 2.470 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nccs2)C1 1286545887 CNZZFVSRHWMEAX-IKGGRYGDSA-N 446.577 2.432 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286603743 JMSBIKFZFSBMEM-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C2CCCCC2)CC1 1286664095 TVZXLAXCSRVPMA-GOSISDBHSA-N 449.621 2.374 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1286718503 LTPSEDNHXJXGFT-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2CCOC2)CC1 1286821557 PBYHVRNLCJKKTB-LJQANCHMSA-N 445.589 2.118 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)NC1CC1 1286964905 FUUVRMABGJZBBF-CQSZACIVSA-N 434.504 2.249 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1287911547 IRJJUZKWFUKRFZ-JOCHJYFZSA-N 442.589 2.172 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)CCO1 1293540235 CNOXDYRWGUSVMJ-IBGZPJMESA-N 446.577 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)COc1ccc(I)cc1 1294808235 XOUXBSHNXXDFGW-KBMXLJTQSA-N 431.270 2.128 30 10 IEEE CN(C)CCOc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1298084210 CCXFVFKDTJXZRJ-CVDCTZTESA-N 442.539 2.407 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(CCOC)c1 1300267110 DXSBZKRGQYGEBK-SFHVURJKSA-N 435.532 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300275660 XWKFINZTMPUIHD-RTBURBONSA-N 441.601 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cnn(C)c2)CC1 1300719145 PTGWAODAILNGON-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1300780454 QKQGKGSSTZDDKR-LVCYWYKZSA-N 436.626 2.001 30 10 IEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1301216211 FGQVCGBRJMORMJ-MRXNPFEDSA-N 435.532 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](OCCOC)C1 1301484949 PCHNKMDTAIGLGQ-KRWDZBQOSA-N 425.489 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCCO[C@H](C)C1 1301593226 KISXZJVXCLMLBO-MRXNPFEDSA-N 438.525 2.212 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1301652519 MJWYAYKMLBLFHK-UHFFFAOYSA-N 427.505 2.151 30 10 IEEE COc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1C#N 1302692006 BJHABZHMHMVGFF-SFHVURJKSA-N 445.497 2.235 30 10 IEEE CC(C)COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1303216025 ODBDPZIDVXOTJS-MRXNPFEDSA-N 428.493 2.210 30 10 IEEE Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(C)(=O)=O)cs1 1304651612 FISWRWQCFRCLON-UHFFFAOYSA-N 430.559 2.187 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C[C@H](C)O1 1306403141 DFYKMMMFCFFENI-LPHOPBHVSA-N 446.577 2.148 30 10 IEEE CCOCc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1314320936 YVKKGBYMESBYLP-XCKUCFRUSA-N 428.537 2.356 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CCCO1 1316085689 DFIDJNMUNSCKKR-CVDCTZTESA-N 438.532 2.323 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1316262990 FODFXGGRLXFZQD-MRXNPFEDSA-N 425.411 2.247 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1358891157 ZTQPELHJTJFRPK-RCCFBDPRSA-N 433.578 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCc1noc(CC)n1 1358998275 YECROPCRNQAAQT-UHFFFAOYSA-N 429.484 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)C(=O)NC)CC1 1359032461 PGVVUZVPZNURTB-UHFFFAOYSA-N 432.931 2.265 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCCSC)CC1 1359044172 YDWWAXHLQNCSFD-UHFFFAOYSA-N 427.578 2.234 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1359053657 UJCRNTLCEHFFCM-UHFFFAOYSA-N 428.537 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1359298331 WAPDWAUZKMKYCI-UHFFFAOYSA-N 439.470 2.247 30 10 IEEE CC(C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1359981493 YHOYEVNIQPEMPW-DQRAZIAOSA-N 448.531 2.135 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1360169715 PSVRRBUBIXNFCU-LJQANCHMSA-N 438.532 2.468 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1C 1360879326 JPQOGCISJODISU-PMAPCBKXSA-N 438.532 2.242 30 10 IEEE Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1I 1464273470 RSXQWBQERADKRU-UHFFFAOYSA-N 437.285 2.398 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 1467450607 ARQSZPXSEYFVRL-UHFFFAOYSA-N 429.476 2.084 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3cccc(Br)c3C2)cc1 1471440899 VFKUBKWADKZYQK-CQSZACIVSA-N 449.326 2.094 30 10 IEEE Cc1cc(O)nc(N2CCC(NC(=O)Cc3ccc(Br)cc3C#N)CC2)n1 1472024666 WXQDHGLCMRJNQN-UHFFFAOYSA-N 430.306 2.453 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 1478686160 RAZGQMKSPQVTBI-UHFFFAOYSA-N 449.479 2.193 30 10 IEEE COc1cc2c(cc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)O[C@@H](C)C2 1504132584 DKVCOVUMLGLHAL-RCDICMHDSA-N 442.495 2.239 30 10 IEEE COCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504800588 MKSKXKKIJGRBNK-IBGZPJMESA-N 425.537 2.192 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCNC(=O)c2cccs2)cc1 1505319709 ICHCNVSJJMQRJC-UHFFFAOYSA-N 438.513 2.057 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507592185 REXXDDSXAIAIJL-ZACQAIPSSA-N 430.553 2.382 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507594863 KMBZJAMCWIFZQZ-IBGZPJMESA-N 431.924 2.265 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507627079 IJPZXSRVBCVVAT-PKOBYXMFSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1cccs1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507635236 UTXOZVWBXMFYIY-QZTJIDSGSA-N 447.630 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCOCC2)C1 1508117967 SVEDMYQLGZPCLO-FUHWJXTLSA-N 432.956 2.496 30 10 IEEE C=CCSCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1508167986 MFQVNYOUUGUGRQ-OAQYLSRUSA-N 437.610 2.297 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)cs1 1511545826 LPPMBRFWZJLLNW-QZTJIDSGSA-N 429.594 2.483 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)OC 1513438950 CBVNVTPQRMRDGJ-IBGZPJMESA-N 446.577 2.102 30 10 IEEE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 1515526481 HNMUUGIRVCMDBS-KRWDZBQOSA-N 446.563 2.253 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1539005099 PHGHTYBLIYIQDI-ZBFHGGJFSA-N 427.505 2.151 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1539072275 ONQLZFWPXJAFSK-HXUWFJFHSA-N 445.589 2.359 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539076141 NFALPFQFDDTRRR-UHFFFAOYSA-N 432.532 2.193 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN(CC)CC 1539177678 ATSSQJIRNRRNKP-HXUWFJFHSA-N 429.590 2.140 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230438 HPJMXXBDPAIZRK-RHQZKXFESA-N 434.606 2.479 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCSC1 1539420624 JMMVMRMOECIRRH-JOCHJYFZSA-N 425.558 2.235 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCC)CC1 1539470293 LWKMZDSABUOFAU-UHFFFAOYSA-N 447.543 2.338 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1539505278 AFOGGHVPPFAFHF-UHFFFAOYSA-N 429.571 2.197 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539517081 IFWXSSFYBTZDJY-MGPQQGTHSA-N 436.525 2.181 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)o1 1539574891 SZEQVLAFGWMEMA-GFCCVEGCSA-N 432.344 2.335 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCn2nc(C)nc2C1 1539617428 WIRBZKJBEGFYRE-QFBILLFUSA-N 442.568 2.098 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1539902178 APPUHHVJQWIYMK-INIZCTEOSA-N 426.631 2.457 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 1540909842 QMXPIXCUJAWCOR-LSDHHAIUSA-N 425.580 2.394 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1541807196 BPODNHBVYFCRAZ-ZHALLVOQSA-N 432.569 2.184 30 10 IEEE CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)c1cccnc1 1541905877 ASUJVLCWZAPLJO-BQFCYCMXSA-N 433.582 2.461 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CC)C1 1547244779 GAZMVVUSDWBBPR-GOSISDBHSA-N 426.521 2.260 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1554593578 DDEAHQCWTCLHDQ-KKSFZXQISA-N 446.577 2.360 30 10 IEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@H](CO)O2)cc(OC)c1OC 1554733403 KPGKHWIZKANWSI-HYVNUMGLSA-N 445.520 2.249 30 10 IEEE CO[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1555177731 LCVGGTNOKNEEHM-VRTBNJGNSA-N 430.553 2.254 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)C1 1556323202 WKVNZEJBMJPCCT-LLVKDONJSA-N 432.278 2.252 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)C2=O)cc1 1556457360 DISPZTWNDJLCLX-QGZVFWFLSA-N 436.424 2.159 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)CC1 1565255193 RFSGJECVNORNMJ-VQTJNVASSA-N 432.590 2.144 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC3(CC2)CO[C@H](CNC(=O)OC(C)(C)C)C3)C1 1565345973 DFUCNZGQYKBNMM-MOPGFXCFSA-N 434.581 2.189 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CCO2)c1 1567193930 FYGNWEYQMYOHED-VXKWHMMOSA-N 435.480 2.496 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)o1 1584011965 DCRVSTWNJULEMB-QFIPXVFZSA-N 447.536 2.213 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C/C=C\CC)CC1 1588891008 KSBMGPLKOPGPOF-XBKFQHLESA-N 429.565 2.251 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1594645698 ORTWYUWYBAUMNT-UHFFFAOYSA-N 440.596 2.203 30 10 IEEE N#Cc1c(CCCNC(=O)c2cccc(Cn3ccnn3)c2)nn(-c2ccc(F)cc2)c1N 1595533772 UTGOKMWHGOVHAO-UHFFFAOYSA-N 444.474 2.468 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1595537661 VSQJZOSMTDNEAQ-BETUJISGSA-N 436.463 2.036 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595773151 RQONYGSVRGPHCW-UHFFFAOYSA-N 449.577 2.142 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(F)ccc(F)c2C1 1595799360 ZCOCKBNBVRUTLV-CQSZACIVSA-N 438.500 2.224 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1596702568 DBKHCQKLSFEMSO-QGZVFWFLSA-N 438.532 2.117 30 10 IEEE CC(C)(CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1597787228 DHGHAGQRKYMWLC-LJQANCHMSA-N 448.637 2.432 30 10 IEEE CN(C)C(=O)CCN1CCC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1615037919 AFVRWOFCYZBEGW-GOSISDBHSA-N 437.585 2.023 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@](C)(O)CCOC 1616883849 DHFCJRDZCNPLPG-HSZRJFAPSA-N 442.564 2.190 30 10 IEEE Cn1nccc1CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F)C1CC1 1618493874 HWJLAHVKYOZOKA-UHFFFAOYSA-N 440.458 2.101 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1619723013 HPMORPPDJOYYKK-GOSISDBHSA-N 440.548 2.364 30 10 IEEE C[C@]1(C#N)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 1626948396 NMCUTIGSXHVLJN-KSSFIOAISA-N 425.272 2.339 30 10 IEEE N#CCCN1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1632349411 ZXRUTEKBOWGRPM-UHFFFAOYSA-N 428.352 2.061 30 10 IEEE COC(=O)CCC1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1635739579 TYWRDWNFSXOCJI-OAHLLOKOSA-N 435.546 2.276 30 10 IEEE C=C(C)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(=O)OCC 1636838408 ZEJVMQRKAWNRIX-INIZCTEOSA-N 428.576 2.479 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1638429481 RZRSUCHHLKEJEF-ZDUSSCGKSA-N 449.252 2.120 30 10 IEEE COc1cccc([C@@]2(C)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1640533922 QBGCJQFKHKUHBV-ZHRRBRCNSA-N 427.526 2.424 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1642103375 XHFWQZKMBCKFAC-SJORKVTESA-N 427.309 2.123 30 10 IEEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 1645781971 VSPVEWJURRZNHF-UHFFFAOYSA-N 427.526 2.323 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1655558598 QJNOGTKCPYWIEJ-GOSISDBHSA-N 445.545 2.310 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)N(C)Cc2cc(Br)cs2)c(=O)n1C1CC1 1656801316 DKCHFHDWHQVUKN-UHFFFAOYSA-N 437.319 2.008 30 10 IEEE COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)N(C)C)cc1OC 1675307921 CXWCJQFKBAZUFC-FQEVSTJZSA-N 438.532 2.105 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1C 1675443851 FTTMLZSLZZYENV-OAQYLSRUSA-N 438.553 2.358 30 10 IEEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 1677029157 CUDGBVRAZJWNDZ-SFHVURJKSA-N 432.590 2.004 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1689893154 VQEPAUXJTDIBPV-LEWJYISDSA-N 442.585 2.432 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@H](C)c1ccccc1 1690019364 GOMIOBAEGPOKDT-TZIWHRDSSA-N 440.569 2.421 30 10 IEEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690342126 AVFNYQYWSQTLEU-UHFFFAOYSA-N 431.990 2.175 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690643734 RFNJCPZVHTXHHA-GVDBMIGSSA-N 449.552 2.108 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@]2(CCCOC2)O1 1693782932 GHSZLFIVIWVWLQ-SBUREZEXSA-N 438.532 2.069 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696220257 GOTXEDOYIPXZSS-UHFFFAOYSA-N 436.520 2.276 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1cc(F)ccc1N1CCOCC1 1705602373 SETPIKVJDORTNF-UHFFFAOYSA-N 425.508 2.302 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCN1CCCS1(=O)=O 1705676945 VPIIFSPIQGGDJA-JOCHJYFZSA-N 427.574 2.091 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705761005 XXIDFBLBZYFZBV-HNAYVOBHSA-N 438.916 2.341 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1705838662 XFNWUMZFUSOKEX-HDICACEKSA-N 437.552 2.042 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(=O)OC)CC1 1705895403 FXAFFSOAVULYOM-UHFFFAOYSA-N 449.515 2.027 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705903636 ZEFNQDVKTZORMG-CVEARBPZSA-N 430.578 2.487 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1706462816 JXCIKNBTFDZVCB-HSZRJFAPSA-N 441.580 2.291 30 10 IEEE CCC[C@H](Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1709521676 SPRQWNPMDXQPJB-MZKRTTBSSA-N 446.596 2.310 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC1CC1 1711072395 BKZDVYMNPZARQD-UHFFFAOYSA-N 439.545 2.011 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1712166918 BNLUHWMKRGPAOX-KNQAVFIVSA-N 428.512 2.102 30 10 IEEE C#CCCCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1722322463 KKIAGIMRAHFSSC-HSZRJFAPSA-N 439.564 2.159 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCN(CC)CC1 1722343269 JHNAUQFLUODXAN-OAHLLOKOSA-N 434.386 2.131 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCSC1 1722395344 ZRDTVHWNJWFMOX-GOSISDBHSA-N 434.363 2.367 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1722400879 CSECTQPTUQZWDA-QFIPXVFZSA-N 448.571 2.175 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N2CCSCC2)CCCC1 1722425114 NBNPPNLAUWVDEZ-UHFFFAOYSA-N 441.605 2.183 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1722558925 DGRIMQWPOITGLO-UHFFFAOYSA-N 443.573 2.286 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1722664535 BWQVOMHEHAKNCZ-QUCCMNQESA-N 440.596 2.044 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722706199 NFMSGBRIYNLXAU-MSOLQXFVSA-N 441.532 2.316 30 10 IEEE C[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1726531614 GICDPVGHHMDLRC-WMZOPIPTSA-N 429.546 2.400 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1727906308 ALJHMRFFHMVHRE-HSZRJFAPSA-N 437.548 2.362 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCc2cccc(C(=O)NC)c2)CCOC1 1728753617 FATCWWCILIPXSK-GAJHUEQPSA-N 440.548 2.271 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1730385415 CKPIRTRSINZOFE-BGKRJLIZSA-N 436.516 2.333 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1730888371 FLEAVTHGGSYHHD-QFIPXVFZSA-N 437.479 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@](C)=O)cc1 1740548155 DOQVYTXNZQGQHO-IWAYBZMOSA-N 439.541 2.391 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740621520 MSYSPUODGTURJU-IBGZPJMESA-N 439.516 2.349 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622404 CNHQFRDQPVEECO-UYAOXDASSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740626257 WDIWERCEBGQEEB-DENIHFKCSA-N 434.606 2.189 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740627311 PGZBYLAVYNQLID-CABCVRRESA-N 436.500 2.071 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc2ccccc12 1740631751 UYDRPCJKNIQFCG-HNNXBMFYSA-N 427.555 2.224 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1740674088 SRTGMKMFIQWCCD-VGOFRKELSA-N 443.573 2.457 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1)N1CCOCC1 1740682859 LQNZDIPURNSBHK-HSZRJFAPSA-N 448.571 2.443 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOC(F)F)CC1 1740695704 BMFKBKRWJFCTGC-SFHVURJKSA-N 433.459 2.175 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740749952 IRUHBSIDEMADES-HAGHYFMRSA-N 430.597 2.414 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740965293 GSESINLTHPHBHT-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)C1 1740985456 QGUHDOHKUIYBEV-PNCHPQGNSA-N 444.532 2.187 30 10 IEEE CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1/N=CC=CC1=O 1741335066 LUOGNKNAOBDAEX-ZZEZOPTASA-N 439.476 2.473 30 10 IEEE CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1746856733 BWNXQRPMMKHXGL-SFHVURJKSA-N 429.546 2.367 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1747878889 RVHWPCMWLZFZJK-UHFFFAOYSA-N 430.456 2.145 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1748639935 NXLKCGCIEQNOCF-JZXOWHBKSA-N 445.589 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@@H]1C 1748846906 MDSNRCFENQYZJS-PZJWPPBQSA-N 433.560 2.198 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCCOC 1749073012 CCKUJQKSJVCUMN-XMMPIXPASA-N 437.544 2.466 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)C(C)C)C1 1749699980 FXBLNAJTHTYCOD-UGKGYDQZSA-N 438.536 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cccs1 1749721122 ANLLCWOPRFFZTE-UHFFFAOYSA-N 437.591 2.203 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[C@](F)(C#N)C1 1750206729 NXKNVLPYWOBSHB-SFHVURJKSA-N 441.916 2.102 30 10 IEEE C[S@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1750219164 GQOHWNGBZIYDOT-HKBQPEDESA-N 441.605 2.371 30 10 IEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1750873093 CWNNZEQNAMQJNV-UHFFFAOYSA-N 447.547 2.077 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 1752175602 AFJGGYZOOGXMOP-ROUUACIJSA-N 444.605 2.418 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1760124362 HKMHNWJUXAZBOE-SJORKVTESA-N 428.541 2.490 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(F)c1 1760218257 BHPOMASEQZSQQL-QZTJIDSGSA-N 444.532 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1760270219 UTZPAQURJMTOMJ-HBMCJLEFSA-N 443.592 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)CCC)CC1 1760271692 HATKOLOVYYVZDR-QFIPXVFZSA-N 429.590 2.447 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1760273408 SMNUWJACUVBICO-JOCHJYFZSA-N 443.548 2.118 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1760313973 ROEOORVTJRCWTK-QYZOEREBSA-N 435.569 2.028 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760365575 CDNSRVHVFCTDFR-UHFFFAOYSA-N 446.943 2.308 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1760398346 VEJFZKSCDHBSFL-NZQKXSOJSA-N 433.597 2.179 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1760547601 NUDPYJXDSIBDFP-ZWDAVXSWSA-N 432.496 2.317 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C1 1760549913 ORYMAWVLOOCQKG-IBGZPJMESA-N 443.573 2.497 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1762033865 CNKRORJEEYCHKB-HNNXBMFYSA-N 433.520 2.042 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(O)CCSC1 1763758580 CKDHBQVZNHPOEZ-GCKMJXCFSA-N 442.593 2.036 30 10 IEEE CC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765122623 HNUWOUGTXKPYRU-NFFVOIMASA-N 435.532 2.417 30 10 IEEE CCCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1765875808 ZEBZJFZWASIKMV-OAQYLSRUSA-N 429.500 2.480 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1770177964 MJOZHUNIULZUIX-PMACEKPBSA-N 441.532 2.052 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)C2CCC2)CCO1 1771537216 JUGTUUMMELXQHN-INIZCTEOSA-N 444.486 2.182 30 10 IEEE N#Cc1ccc(C(=O)COCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1851361416 MXIADHPYJNYRRH-UHFFFAOYSA-N 447.944 2.417 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1 1852082922 HWXVQJBQHPGVKE-AWEZNQCLSA-N 447.948 2.169 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H](C)n1cccn1 1854515735 CBVBBXCEAXZJJS-MRXNPFEDSA-N 428.514 2.313 30 10 IEEE N#CCS(=O)(=O)N1C[C@H](OC(=O)CCc2cccc(OCc3ccccc3)c2)CO1 1855054947 QBZHFRDCBTWXHJ-FQEVSTJZSA-N 430.482 2.211 30 10 IEEE C[C@@H]1CC(=O)N(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2N1S(=O)(=O)CC#N 1857463627 MZMUZOGONGWCSJ-KUHUBIRLSA-N 425.466 2.002 30 10 IEEE CC(=O)Nc1nnc(S(=O)(=O)N(C)[C@H](C#N)c2cccc(Br)c2)s1 1857960184 FZAFUVXWKUCCAD-LLVKDONJSA-N 430.309 2.144 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862595086 YTYSHNDZRMMGKS-SFHVURJKSA-N 425.397 2.015 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1cccc(OC)c1O 1864130740 RFDWVNWNDYJGGV-GOSISDBHSA-N 433.468 2.287 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC)cn1CCc1ccc(OC)cc1 1870566826 NTKUKBGTNVMLTI-UHFFFAOYSA-N 425.529 2.398 30 10 IEEE COc1ccc2c(c1)CC[C@H](C(=O)N1CCC(OCC#CCN3CCN(C)CC3)CC1)C2 1889405426 JMEGNQNOIVJYSJ-QHCPKHFHSA-N 439.600 2.059 30 10 IEEE Cn1ncc(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c1I 1924437325 VXZJNYJECDDHHR-UHFFFAOYSA-N 431.083 2.189 30 10 IEEE N#C[C@H]1CCN(S(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 2000562545 HNFZNRDLHRGGLT-JOCHJYFZSA-N 440.569 2.138 30 10 IEEE C[C@@H]1OCCO[C@H]1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172780141 MIMUISAPSBKVHR-WFASDCNBSA-N 427.148 2.383 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243416388 KDQIGRBENMASHX-OAHLLOKOSA-N 430.376 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](CO)C1 2254803140 QXFSUFDCSJQYMO-NVXWUHKLSA-N 433.358 2.411 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696794 YYTVTDWYNANWIA-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256680111 RPUKAYYGMFVWNH-UHFFFAOYSA-N 433.358 2.381 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258873078 BMIKDNNBWUHWGB-ZFWWWQNUSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259933914 UWDKJMHLMURSEI-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090328 LACJZVACBSOPGK-CABCVRRESA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267135534 DJTBRUHGIIBXED-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267138069 VHADEZKMNAVRHA-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267180194 YHXUDJHBUSKMPN-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H](O)C1 2267275953 VJTGUQWYVPAFDX-GOSISDBHSA-N 446.353 2.040 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267499698 XNJBMCMYKXQDPW-CQSZACIVSA-N 448.373 2.047 30 10 IEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267564057 RDYNFXPTFFSUTD-HZPDHXFCSA-N 449.357 2.068 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872577 JRBNSSVCPXJIHJ-CABCVRRESA-N 446.357 2.199 30 10 IEEE C=C1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286024490 VHICECAVEOTAJB-OTWHNJEPSA-N 436.530 2.357 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)c(C#N)cc1F 2333604375 ATYSFRDLDLGBQG-ZNMIVQPWSA-N 430.274 2.213 30 10 IEEE C=CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OC)c(OC)cc21 13792072 AKZJECGKWBMAKN-UUPHZHHOSA-N 439.559 2.005 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 39915181 NORVYEXFDRIXFM-OAHLLOKOSA-N 426.516 2.188 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)c(OC)c1 59309840 BEIOTARZQNHRCH-AWQFTUOYSA-N 444.521 2.349 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccncc1 170209970 DTPPPVHDKANTQI-NRFANRHFSA-N 436.512 2.440 30 10 IEEE CCN1CCC[C@H]1C/N=C(/NCCc1ccccn1)[C@H](C#N)C(=O)Nc1nccs1 225503986 CHMJCHDVOQOWDE-ROUUACIJSA-N 425.562 2.331 30 10 IEEE N#CCCN(CCC#N)C(=O)CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 379451265 YMBNCQKKQYFAHX-KRWDZBQOSA-N 432.502 2.145 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)ccc1C(F)(F)F 410128064 FMLXNPULKSFSNU-ZDUSSCGKSA-N 429.395 2.339 30 10 IEEE CCCc1c(NC(=O)C(=O)N2CCc3ccnc(O)c3C2)cnn1-c1cccc(C#N)c1 426561370 VLJIIQZNPUWRPL-UHFFFAOYSA-N 430.468 2.320 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1sc2c(c1C#N)CCCC2 441197208 HICYXYJTFHWUAU-LTDCPUDJSA-N 445.541 2.252 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 446190729 FJFNNGDNJCMGQA-UHFFFAOYSA-N 447.495 2.290 30 10 IEEE N#CCN1CCC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 479900523 JYTRUJFEUMUOMG-INIZCTEOSA-N 438.981 2.092 30 10 IEEE Cc1cc(C#N)ccc1C(=O)NCCC(=O)N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 490015829 WIAWDZHIDIOCLG-UHFFFAOYSA-N 443.507 2.151 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2=O)cc1 503847025 QIXQDJVAVXJEPR-MRXNPFEDSA-N 447.900 2.457 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C1CC1 518719340 PVWAIAAECTWDQJ-UHFFFAOYSA-N 437.565 2.309 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544843439 SPYNVCUASGYFJI-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c1 558484044 RAHIJWLQNWGVPC-UHFFFAOYSA-N 437.543 2.076 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 580204326 CADJXHIDKOGMOP-RBUKOAKNSA-N 435.528 2.382 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c1 589455866 FYAKENCJGKKADI-GOSISDBHSA-N 431.539 2.305 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611673920 MHVYKUVXQJDRBT-HXUWFJFHSA-N 433.555 2.238 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)N3CCN(c4ccccc4)CC3)cc2C1=O 642547009 FTLRJJLJOLKROV-GOSISDBHSA-N 432.524 2.409 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc3ncccc23)c1 727671167 RXHKRQSAXPEPRG-UHFFFAOYSA-N 435.505 2.270 30 10 IEEE CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 730315321 BUQPSCBWGCETQW-OAHLLOKOSA-N 428.432 2.028 30 10 IEEE CN(CCO)S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735344864 RYWUOURXZXMIPC-UHFFFAOYSA-N 438.889 2.212 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)c2)s1 742693805 GZCABMVNOYTJRU-DEPWHIHDSA-N 435.505 2.455 30 10 IEEE COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c(Br)o1 746685400 OPWIUJJJSQIUIW-UHFFFAOYSA-N 429.248 2.187 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)COC(=O)c1cc(C#N)cn1C 751734207 QJJDBLBPPDENHS-UHFFFAOYSA-N 447.289 2.222 30 10 IEEE CO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)C1(C)C 753356991 DARXGJCNMIAKQM-FGTMMUONSA-N 432.590 2.500 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 755693534 ZUBAPBFAIXLOSN-XMVGPFMNSA-N 446.507 2.477 30 10 IEEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 756661147 YMCVBQPAQZPOQC-CYBMUJFWSA-N 431.352 2.291 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(C)C)c2=O)cn1 772278470 SXRHLPZBXMHEFZ-UHFFFAOYSA-N 434.521 2.257 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 780032998 QXPSAITYENPXTG-ZTVSIKPCSA-N 438.509 2.255 30 10 IEEE CS(=O)(=O)N(c1cccc(C(=O)/C=C/c2ccnn2-c2ccccc2)c1)S(C)(=O)=O 790601609 WAJKDBJDJMBKHS-VAWYXSNFSA-N 445.522 2.494 30 10 IEEE N#Cc1ccc(COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 791268402 VLTVNPUPSWHJJL-UHFFFAOYSA-N 432.473 2.394 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 794894523 YSMWLSMFEVUWSQ-NEWSRXKRSA-N 436.892 2.094 30 10 IEEE CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1 807937364 BHXFVSXJROWPGB-GOSISDBHSA-N 442.545 2.403 30 10 IEEE CCOC(=O)C1(C(=O)Oc2ccc(C#N)cc2I)CCOCC1 808798452 UDCQTUHBEGOOMY-UHFFFAOYSA-N 429.210 2.428 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 809909937 LNPMNLPTDFGSGT-DLBZAZTESA-N 444.540 2.206 30 10 IEEE CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@@H](C)Oc3ccccc3C#N)ccc21 914679120 XMHQXYQAJLZZDD-OAHLLOKOSA-N 442.493 2.464 30 10 IEEE COc1ccccc1[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1nccn1C 916227293 UQERWPMKNGSOJY-HXUWFJFHSA-N 431.500 2.317 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(C)o3)n2N)c1 1084127246 GTDRHGHUMOVQLS-UHFFFAOYSA-N 428.478 2.029 30 10 IEEE CCOc1ccc(NC(=O)C2(C#N)CCSCC2)cc1S(=O)(=O)N1CCOCC1 1124676989 CQQUVPSHCGAXKM-UHFFFAOYSA-N 439.559 2.082 30 10 IEEE COC(=O)[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@@H]1CCC[C@H](OC)C1 1130630682 CNLDAPGHVOTEKB-OXFYSEKESA-N 427.505 2.013 30 10 IEEE COC(=O)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCCC1 1133608982 POWHSWYYORMJBQ-QZTJIDSGSA-N 426.473 2.001 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCN3C(=O)COC)c1 1138112911 HHPLMMSDCJIBIA-UHFFFAOYSA-N 426.494 2.271 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc([C@@]4(C)NC(=O)NC4=O)c3)n[nH]2)c1C 1143160937 QIDHUMCNKAUPSY-HSZRJFAPSA-N 447.499 2.061 30 10 IEEE COC(=O)[C@@H]1[C@H](CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1(F)F 1153695171 RAKYQQRNYRDVCX-WFASDCNBSA-N 434.399 2.193 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 1162121541 LYQLOLBSKNEPPF-UHFFFAOYSA-N 446.460 2.074 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 1186524154 IEXSGZWEGBCRIT-UHFFFAOYSA-N 442.946 2.452 30 10 IEEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NCCc2ccc(C#N)cc2)cc1Cl 1201996095 CUJHHYDXVZKZDZ-UHFFFAOYSA-N 427.892 2.394 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286391912 JTIXZJKQCMNADQ-SJLPKXTDSA-N 446.548 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC[C@@H](C(F)F)N1CCOCC1 1286412856 NKZJYKABBQMBRK-SFHVURJKSA-N 433.528 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286425804 YBQJYLNIBQREBL-GOSISDBHSA-N 434.466 2.010 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCCS(C)(=O)=O 1286518608 XETXCRNLDXUZQV-OAQYLSRUSA-N 432.546 2.389 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1nc(CCOC)no1 1286564791 YUYLYPGOAFOYLN-OXQOHEQNSA-N 441.536 2.473 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286600883 DUPRWUIMNCFHOJ-ZCNNSNEGSA-N 430.553 2.297 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286602199 UXVAJUUIYWRXIO-QGZVFWFLSA-N 429.525 2.182 30 10 IEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1286695112 OQBXVMLXBBODAO-UHFFFAOYSA-N 430.372 2.493 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1286757908 YJOZVOBRMCVMRE-QFIPXVFZSA-N 441.605 2.499 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)C1 1286808139 UVJUTTJZUVLQIZ-RTBURBONSA-N 431.562 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1293214260 GSLYVNKLMOENNE-RDJZCZTQSA-N 429.521 2.068 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1295174466 OWGGPTFPLKEOCA-APWZRJJASA-N 429.546 2.257 30 10 IEEE COC(=O)[C@H](CNC(=O)CC1(C#N)CCOCC1)Oc1ccc(Br)cc1 1297686787 INHKUTMYVVIFDE-HNNXBMFYSA-N 425.279 2.196 30 10 IEEE Cn1nnc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1298905370 DJZHFUFGROTVQW-IBGZPJMESA-N 429.435 2.248 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1300381893 KEESZFIHOGLOMW-OALUTQOASA-N 428.581 2.449 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300504051 JDIRFTRMQXPEBM-RBUKOAKNSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)NC(C)C 1300513246 WSQVACRACDINHU-UHFFFAOYSA-N 439.585 2.149 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1300672268 XHFNCVYKCURIOW-ROUUACIJSA-N 433.553 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2OCC[C@H]2C)CC1 1300719235 SOVNZHUHRMUDFV-OXQOHEQNSA-N 425.508 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(C)=O)cc2)CC1 1300719864 TVRLTMDAMJWBJV-UHFFFAOYSA-N 445.527 2.246 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2OCCC2(C)C)CC1 1300722385 JKUZWJROPUWYIR-RBUKOAKNSA-N 429.565 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[C@@H]2C)CC1 1300730604 CGOWIUXLWHCOEE-PKOBYXMFSA-N 437.544 2.488 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1300767139 RYTJSVMXHVHALB-LEWJYISDSA-N 440.617 2.177 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300990772 HNNLRJQESZHRHT-LJQANCHMSA-N 430.597 2.271 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(CC2CCOCC2)CC1 1300994384 RNESKTBZDLNPRB-UHFFFAOYSA-N 440.592 2.405 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1301391911 ZOSVGEPSCUAHSG-UWJYYQICSA-N 434.562 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301578285 VUTYJCVULSTRCC-UHFFFAOYSA-N 443.573 2.041 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1301621042 PHRXAKSMYSWJET-UHFFFAOYSA-N 431.562 2.453 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nc2ccccc2[nH]1 1302098816 QUTREEAVSBECHG-IAGOWNOFSA-N 439.520 2.240 30 10 IEEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)c1 1304502480 BSAXLNPFHJVNRM-UHFFFAOYSA-N 434.504 2.059 30 10 IEEE C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1305016788 CALPTUAPUAKXMF-IEBWSBKVSA-N 448.637 2.431 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1315566348 HDUKTIYNCPXPAL-DBXWQHBBSA-N 440.548 2.182 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1316256839 IZAYJEHCBDYQLF-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 1347923859 HDTLFDSIGFEGAN-UHFFFAOYSA-N 429.498 2.457 30 10 IEEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCCC1 1348903497 LXWIVRMFNNYDEM-INIZCTEOSA-N 426.560 2.227 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cs1)C(N)=O 1352236038 ATVCIPZRBIOJQA-GFCCVEGCSA-N 433.534 2.011 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358920522 APMUXAZARHNKTN-AEFFLSMTSA-N 429.496 2.312 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1359065532 SZECIOPJQPSQNR-ISKFKSNPSA-N 445.608 2.158 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1359240642 ULGIWWZUOGUSQB-IBGZPJMESA-N 449.577 2.069 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(C)CN(C)C1=O 1359255339 VCJBBNCHMWJORH-JPYJTQIMSA-N 425.533 2.462 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359310550 ZDJRYIORQKRVSP-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCOCC2)C1 1359325615 JEWGKCGSQKDAFS-RTBURBONSA-N 445.539 2.498 30 10 IEEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1436893312 ASUVDDIRFFJFCR-XMHCIUCPSA-N 425.489 2.101 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCCOC1 1438117019 ZXDJFVFDKGORFW-HRAATJIYSA-N 425.526 2.440 30 10 IEEE N#Cc1c(CCCNC(=O)Cc2ccc(-n3cnnc3)cc2)nn(-c2ccc(F)cc2)c1N 1441233340 BTRXDZDVSZOMJZ-UHFFFAOYSA-N 444.474 2.337 30 10 IEEE C[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1446028312 ZHRSVSRPQNFHOF-YWZLYKJASA-N 446.548 2.322 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1454205539 PFNVTPNKPMDEQX-GOEBONIOSA-N 433.509 2.489 30 10 IEEE C#CCCN1CCN(c2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1 1458167604 WAWXXUVVNIRPMZ-UHFFFAOYSA-N 439.497 2.327 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c(C#N)cn1CC 1460985637 HPNOUSOZIPHWAX-HNNXBMFYSA-N 446.504 2.075 30 10 IEEE COc1ccc(NC(=O)COc2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)cc2OC)cc1 1463090639 MSQYTMGDFNEZEV-QHCPKHFHSA-N 439.468 2.476 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c(cc1Br)OCCO2 1464030584 WJDWSUTWIOQPSR-UHFFFAOYSA-N 446.319 2.186 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 1471833364 WMJVZQCIUHJJPR-GOSISDBHSA-N 427.526 2.323 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)Cc2nnc3n2CCN(C)C3=O)s1 1471856823 HVRIOWYBQKZTCZ-UHFFFAOYSA-N 440.982 2.174 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(=O)n1C 1473069028 AXGMEPKMEDZJEY-FQEVSTJZSA-N 441.491 2.157 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 1476010852 FPRZRNFEBKLIDV-GYGWLHPRSA-N 445.589 2.499 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccnc(OC(F)F)c2)cs1 1492682099 PBDOXMLOCAVENL-OAHLLOKOSA-N 447.471 2.407 30 10 IEEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503529555 JGSPWTNNIPKIHQ-QURGRASLSA-N 447.499 2.101 30 10 IEEE COCCCN(C)CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1504816190 JIEKCLVVYFZDIV-UHFFFAOYSA-N 440.596 2.137 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507514257 CHNXHVKAJOCMDZ-RDGPPVDQSA-N 438.642 2.104 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507536406 BXZNFFVDDSNRMN-ZSYWTGECSA-N 435.638 2.395 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507560171 DMNWJKANGACIDB-HNNXBMFYSA-N 428.493 2.086 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507572393 IDOBCPBBQBDLLS-LJQANCHMSA-N 448.531 2.058 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1507592423 RUPFJUDQHODYJI-KBXCAEBGSA-N 448.511 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CN(CC(C)C)CCO1 1507672115 WHOMFZBZBMQZPD-OAQYLSRUSA-N 440.617 2.454 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCN(CC)C2)n1 1507716723 MZIZTMOELNEDAW-IBGZPJMESA-N 427.597 2.400 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCN(C)C)CC1 1507721413 OJXHKNYOITWHJK-UHFFFAOYSA-N 434.947 2.071 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1508011808 NQSHJLQELDNMEX-UHFFFAOYSA-N 440.367 2.435 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1508020699 PXXSRGWXCLIOAF-KRWDZBQOSA-N 448.568 2.290 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C)C1 1508144239 OHOYSYKFHJXCAA-CYBMUJFWSA-N 427.621 2.176 30 10 IEEE CC/C=C\Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1514199549 IXOTZWYTMOCOAT-SFFCAUCYSA-N 444.561 2.085 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCCO)CC2)c(F)c1 1521102392 VTQCMZGSYOVTNN-SFHVURJKSA-N 428.512 2.282 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2)cc1 1528034521 DYRCURHIIZQPCQ-UHFFFAOYSA-N 438.509 2.253 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 1533848387 CFBXUOJFRMUVKD-CYBMUJFWSA-N 432.406 2.129 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539025221 GNYZDAVFBMNCKV-DLBZAZTESA-N 430.553 2.258 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1539222133 TVUUQCNWOCVAMR-IRXDYDNUSA-N 426.608 2.290 30 10 IEEE C#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)cc1 1539294531 HEBPAQSHQGJTQJ-UHFFFAOYSA-N 430.482 2.477 30 10 IEEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@](C)(C#N)CN(C)C)c1 1539432608 OERORONUNSYLFZ-NRFANRHFSA-N 431.514 2.427 30 10 IEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539700162 PTYYCMBEMDQNPT-HNNXBMFYSA-N 437.504 2.045 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539750388 MVPQHNCLVJAZSW-IBGZPJMESA-N 432.613 2.202 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539916886 PKNWVZGIOOSAMU-SJLPKXTDSA-N 448.593 2.094 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1540020119 GXKSJHLYANKXJZ-MGPQQGTHSA-N 439.504 2.116 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540863759 DRWRFTGFFRYBCY-NHCUHLMSSA-N 449.559 2.434 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)N2CCc3ccccc32)C1 1542659307 YQPXXVJBDIAEJY-UHFFFAOYSA-N 439.313 2.462 30 10 IEEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1542796605 ODUGBWUOBLXSGW-XDOYNYLZSA-N 429.484 2.500 30 10 IEEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1542800304 GRLFUNCXIKREEJ-INIZCTEOSA-N 449.573 2.422 30 10 IEEE CC[C@H](C)c1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545600280 GTLXAEZRWMJPAJ-RJCBAWPRSA-N 428.537 2.325 30 10 IEEE CC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1)OC 1545960385 CATOGYXGAGRDLZ-GOSISDBHSA-N 446.577 2.360 30 10 IEEE CCCNC(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1547235033 CEBJCRXJUPZSRP-KRWDZBQOSA-N 433.516 2.447 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1554305695 HXLXAEIPRCZBOF-UHFFFAOYSA-N 436.520 2.221 30 10 IEEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C(F)(F)F 1554621926 AOAXGGQPGBJQAJ-LSDHHAIUSA-N 449.499 2.278 30 10 IEEE COC(OC)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1554672720 BUXKQXRONSYISI-NRFANRHFSA-N 430.484 2.198 30 10 IEEE CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1556708777 FONVTQWZKDSFMG-MRXNPFEDSA-N 426.433 2.285 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CCS2 1558716602 FDPSSGLCYMVFOK-FWHMADFJSA-N 440.518 2.070 30 10 IEEE C=CC[S@@](=O)(=NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1558718427 HJNGZHDYJIKGIY-SOKVYYICSA-N 442.946 2.219 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559993280 UHRDCSUNHBOEJU-FPOVZHCZSA-N 435.590 2.048 30 10 IEEE CS(=O)(=O)CCOc1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1563055253 HQPAGMFWJJAPTL-GOSISDBHSA-N 430.486 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)N2CC[C@@](C)(C#N)C2)C(F)(F)F)CC1 1564644786 PIDHMPCELFOSLJ-KDOFPFPSSA-N 433.475 2.415 30 10 IEEE Cn1cc(-n2cc(C(=O)Nc3ccc(C#N)cc3I)ccc2=O)cn1 1584666922 JCXHTBJBJOXHBG-UHFFFAOYSA-N 445.220 2.300 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1 1585064778 XBGVKOUMOOGELX-QFIPXVFZSA-N 425.510 2.033 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1587765921 MVLWKVDQMFQHLB-LJQANCHMSA-N 439.564 2.491 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1587782763 BPNBKAPFSUVWBH-IAGOWNOFSA-N 440.573 2.321 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1587831784 UPSSCHTXCUXHQE-UHFFFAOYSA-N 425.533 2.346 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)C(C)C 1588219576 WAMHLBIVJLXJBY-UHFFFAOYSA-N 445.571 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(Cn2ccnc2)c1 1588629145 ZBLOCHSVVCPTIE-UHFFFAOYSA-N 428.500 2.114 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@H]2C)CC1 1588876644 DIBJUKQISDLOGS-YRXWBPOGSA-N 428.581 2.460 30 10 IEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCOC1 1589316397 BGQSOLJJDPXKLF-AWEZNQCLSA-N 441.351 2.482 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1593717328 DMCWZRVJSDEPKB-UHFFFAOYSA-N 428.537 2.398 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(C)=O)c2)CC1 1594097321 QVGVXPKNCCCDOS-GOSISDBHSA-N 429.546 2.343 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595442554 SEIKTMXCSLUQNS-UWJYYQICSA-N 442.539 2.171 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1595475596 DKSNEMCCKCVMGE-UHFFFAOYSA-N 430.528 2.174 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1619589683 HVOFHKWVTUACJR-VQIMIIECSA-N 436.520 2.481 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1619614963 SXYGCKBFRMZXMI-UXHICEINSA-N 428.512 2.102 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCOCC(F)F)cc1 1620349087 FPQCUXBDMBWJHU-IAGOWNOFSA-N 430.459 2.346 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1625090486 MZRGTEXNBZEIHJ-INIZCTEOSA-N 429.583 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CC4(C#N)CC4)CC[C@@H]32)CC1 1626479033 LDYCKMPFWDIIRH-SJORKVTESA-N 431.537 2.074 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 1631335685 ILJUABJBVFDUCU-QGZVFWFLSA-N 430.555 2.035 30 10 IEEE C#CCOc1ccccc1CNC(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1631792063 ALJTZJXOOULPGN-GOSISDBHSA-N 427.476 2.250 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCOC3(CCSCC3)C2)s1 1632114332 UWCNQWWNZQCKNI-AWEZNQCLSA-N 430.617 2.316 30 10 IEEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(N2CCCNC2=O)cc1 1635708050 FJBCROYXSMXMAD-KRWDZBQOSA-N 433.516 2.466 30 10 IEEE C[C@H](CN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1642487625 HNVRIDSZRDGDIU-PBHICJAKSA-N 428.489 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](Nc3cc(C#N)c(Br)cn3)CC2=O)C1 1643279011 MVPBCWZZEMGIEF-LBPRGKRZSA-N 436.310 2.348 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 1649036121 YPPILBBWGBNQEI-QFIPXVFZSA-N 427.501 2.432 30 10 IEEE C=CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1651023852 TYRLZISRXUEYJU-DOMZBBRYSA-N 436.452 2.386 30 10 IEEE C#CCN(C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1652832428 IKTQUOHKKOHODD-RTBURBONSA-N 436.574 2.426 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 1689895204 LLPJPJFZPUGQDC-UHFFFAOYSA-N 431.487 2.421 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccnc2OC)CC1 1690125461 HVDCUHHJUQYHEN-UHFFFAOYSA-N 438.482 2.354 30 10 IEEE C#CCSCCn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1690185039 RRJWBEKATQLZCV-OAQYLSRUSA-N 437.610 2.036 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1690245551 JUVBLXQDYVOKAV-YRXWBPOGSA-N 438.594 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690667080 PPEOSCBDGABVEO-UHFFFAOYSA-N 435.532 2.002 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1690928895 GLGFQPMJWWDRNA-UHFFFAOYSA-N 448.531 2.120 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CCO1 1690955970 IBAOOUALIKBVNU-UXHICEINSA-N 440.573 2.444 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccco2)N(C)C)cs1 1693360992 JQDMKJPNZCEZMI-SJORKVTESA-N 427.534 2.259 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1694598582 DUQOHJCMKQJYDM-QFIPXVFZSA-N 426.569 2.453 30 10 IEEE COC[C@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1697780802 BGAZYQAOLPKUHD-GOSISDBHSA-N 428.516 2.177 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1698484571 SINMJWSDYKJUHA-PNLZDCPESA-N 444.486 2.097 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1705479404 LJCXWEWJTZZQPY-HRAATJIYSA-N 431.562 2.268 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705543663 ODSZSFKYZZFSLL-IBGZPJMESA-N 445.589 2.357 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC(C)C 1705605778 DJIMMSYFKKIAKY-UHFFFAOYSA-N 441.561 2.123 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705625134 XVMWNIXYYPBGLU-PMACEKPBSA-N 436.560 2.402 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCCC2)CCOCC1 1705628042 WCYFBYPMRVYQLO-FQEVSTJZSA-N 431.581 2.251 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@H](C)C2)CC1 1705642159 IYNPZTGPMWQQKB-ROUUACIJSA-N 426.590 2.461 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705693753 KDOQPHWYHMVAAF-PZJWPPBQSA-N 430.597 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1705710912 ULDOTUGETAQNQH-RDTXWAMCSA-N 427.596 2.260 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)C1 1705916971 PIFBKOXMNONQQG-FOIQADDNSA-N 434.566 2.174 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OC)C1 1705941257 FBAYXJGQQROVIX-GOSISDBHSA-N 426.550 2.455 30 10 IEEE Cc1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)n(C)n1 1707803991 CVUDZDZCKCQAGC-WBVHZDCISA-N 425.468 2.376 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)NC(=O)OC(C)(C)C 1712843239 JVDMAKMEILBDJR-OAHLLOKOSA-N 439.520 2.008 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOCC(F)F)CC1 1722433717 DTUVSXGCXPHATJ-UHFFFAOYSA-N 434.447 2.280 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCn2ccnc2C)CC1 1722442352 RZOLNHHCLWJXFA-UHFFFAOYSA-N 439.951 2.471 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2ccncc2)CC1 1722442594 VZWCDTGOBVBEQX-UHFFFAOYSA-N 432.528 2.259 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1722460753 YZFCOGSQFFPTNS-QGZVFWFLSA-N 446.598 2.118 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722465361 KBCOGFJUHWJBCQ-GOSISDBHSA-N 438.557 2.058 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCOC1 1722480515 QODTUEAQYQEWOG-OAHLLOKOSA-N 431.298 2.055 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722603436 IXVRMKCDSKHKSU-PMACEKPBSA-N 430.597 2.271 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1722620076 IPZOJEPFIQAMED-QUCCMNQESA-N 430.597 2.462 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2sccc2[C@@H]1CC 1722728072 SZCLUUTZOOUMKP-HOTGVXAUSA-N 449.602 2.405 30 10 IEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722741427 LDVIWEYUGRARBH-UHFFFAOYSA-N 442.633 2.307 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1723074418 HSYLTVOLAXDFGE-GOSISDBHSA-N 433.516 2.384 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@](C)(C#N)C1 1727483500 WWRIZEJMPJPEKN-ZHRRBRCNSA-N 445.568 2.485 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)[C@H](C)CC 1727658229 CBKMAMBVMNYJLT-ZDWFVDTJSA-N 440.548 2.241 30 10 IEEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1728736255 BJFBWXZJBZCZLO-VQTJNVASSA-N 437.548 2.482 30 10 IEEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1728737170 GDWHNSLFWSPFLS-UXHICEINSA-N 437.548 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1740540340 IVTCNOHORPCBDV-FDDCHVKYSA-N 436.585 2.483 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740545410 AELLFELTHBWYIY-MRXNPFEDSA-N 449.559 2.466 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740576581 ADMHCUJBFOJYQM-HXUWFJFHSA-N 434.544 2.340 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740580557 BMMMWQYFEPSBBO-JOCHJYFZSA-N 442.951 2.237 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1740617522 SMSNZSLLTPKHBJ-JOCHJYFZSA-N 441.601 2.498 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1740671827 PONFMPDYZWLBAV-AZUAARDMSA-N 445.589 2.183 30 10 IEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCS(=O)(=O)CC1 1740883056 HODYKMXPLBYSKG-UHFFFAOYSA-N 427.530 2.321 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742669766 UUZLSMDCGASOSY-VZCXRCSSSA-N 438.536 2.059 30 10 IEEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1747682064 AAHWWRBPTVEDOE-KRWDZBQOSA-N 439.520 2.199 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1748755695 AVSSGTLINUVDSZ-UHFFFAOYSA-N 436.545 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@H](C)C2)CC1 1749020080 KOVJDYHMXYRBDY-QIJZPMMNSA-N 443.592 2.404 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1749248273 YSSMJOQITWCYSP-UFYCRDLUSA-N 446.573 2.339 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C)C1 1749651232 QEDKGOICXBPIJD-DLBZAZTESA-N 429.521 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CCC)C(=O)C1 1749655041 BDNLIYPGQVQQJT-UHFFFAOYSA-N 430.940 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@](O)(c3ccc(F)cc3)C2)nnc1C(C)(C)C 1749739943 NXNNLFGJJYFOPE-OAQYLSRUSA-N 436.553 2.413 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC(C)(C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1749929750 NEKBIINYZZNQMW-KSFYIVLOSA-N 445.520 2.289 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1750068872 DSILEHJTOAVINA-JXFKEZNVSA-N 448.531 2.440 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1760132405 MZTXHIHDUCHBOR-SFHVURJKSA-N 431.924 2.362 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189058 NCLOSZJXDRRJJE-LJQANCHMSA-N 437.525 2.046 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1760190063 NXNATYIZWQZCOR-GOSISDBHSA-N 442.566 2.311 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1760190292 ZISHFOQKPPQOKP-ZWOKBUDYSA-N 438.619 2.432 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CC(OCC)C2)CC1 1760255656 FVXLURKUNDJUFO-UHFFFAOYSA-N 447.942 2.423 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760277304 GRJLCLOCMQMIMY-SFHVURJKSA-N 434.587 2.334 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760277413 JYCKBTVLISGWFS-AEFFLSMTSA-N 427.530 2.255 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@@H]1C 1760282042 VBFAMPBDWGESPA-KRWDZBQOSA-N 427.578 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760328639 YWVBKUVWZHZZGY-XDNAFOTISA-N 426.583 2.370 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760393481 RWGDYIGKTRKPSX-QGZVFWFLSA-N 432.546 2.457 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760428244 ROYHUSZNWOQGDP-SFHVURJKSA-N 425.599 2.294 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1)C1CC1 1760469910 IWENNLHFLAYYOW-UHFFFAOYSA-N 425.537 2.191 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760524403 WSYHWOIOOCNPAE-QGZVFWFLSA-N 445.593 2.222 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc([C@@H](C)O)cc2)CCOC1 1761291500 LJFDILALMVSIDJ-HCLVMJGWSA-N 441.532 2.149 30 10 IEEE CN(C)c1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1768493051 QDDMPFCHLLDCRL-QFIPXVFZSA-N 425.512 2.265 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccco1 1768632937 BSGWEKVGSMOZHD-UHFFFAOYSA-N 428.456 2.266 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1768930783 CVQOUBFOXCABCC-ZOKDDAQRSA-N 431.562 2.153 30 10 IEEE COC[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1769246039 BQSAPMZDTNFOHB-SFTDATJTSA-N 434.500 2.451 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1769295151 SCIREMVNNRJBTK-MISYRCLQSA-N 445.495 2.097 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@H]21 1770340842 YMTBAHXMXKPTKO-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)F 1771195215 PIYZETUJEXDMEM-LLVKDONJSA-N 426.399 2.099 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)O[C@H]3CC[C@H]3NC(=O)c3cnn(C)c3)n[nH]2)c1C 1849190757 PTZJDXHKRIAXQM-APWZRJJASA-N 437.504 2.317 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCC(S(=O)(=O)Cc3ccccc3)CC1)OCO2 1851119853 ALDVVFACJBIIFV-UHFFFAOYSA-N 426.494 2.435 30 10 IEEE COc1cc2nc(Cl)nc(N3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)c2cc1OC 1851501946 MZCDEEBYARPUEP-UHFFFAOYSA-N 426.864 2.463 30 10 IEEE N#Cc1ccc(F)c(C(=O)NCc2nc3ccccc3n2CCN2CCOCC2)c1F 1851505714 VMRLBNZTKYTBAO-UHFFFAOYSA-N 425.439 2.448 30 10 IEEE CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852091783 OAMNSICVKYXQKC-MRXNPFEDSA-N 432.546 2.412 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1852112634 MADYLKYNHJGYDR-NZQKXSOJSA-N 449.507 2.234 30 10 IEEE C[C@@H]1CC(=NC(=O)[C@@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)NN1c1ccc(Cl)cn1 1852613731 HCEISSJTNRVWCJ-PXAZEXFGSA-N 443.866 2.386 30 10 IEEE Cc1ncc(C#N)c(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 1852687541 WZEOSAQPPKLXCO-UHFFFAOYSA-N 439.829 2.485 30 10 IEEE N#CCC(=O)N(CCn1nnc2ccc(F)cc2c1=O)[C@@H]1CCCN(Cc2ccccc2)C1 1853417141 SWNZBRIRFZSPLQ-HXUWFJFHSA-N 448.502 2.337 30 10 IEEE COc1ccc2c(c1)CC[C@@H](C(=O)O[C@@H]1CON(S(=O)(=O)c3ccc(C#N)cc3)C1)C2 1855385209 OZRAXZIPNDFWBJ-QUCCMNQESA-N 442.493 2.220 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3ccc(F)c(Cl)c3)C2)C1 1856385571 ZNSYYIPQYDPIAD-CYBMUJFWSA-N 428.851 2.498 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862606880 BSLNCHVLFIIRQC-XCLFUZPHSA-N 425.437 2.426 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706395 VONDVNOLZZCWOX-BBATYDOGSA-N 428.397 2.268 30 10 IEEE COc1cccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccccc3C#N)c(C)o2)c1 1866673172 DVNSWEXAPQUYGG-HXUWFJFHSA-N 434.452 2.189 30 10 IEEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870106837 IVHRPHGHMJZXCB-AWEZNQCLSA-N 428.452 2.384 30 10 IEEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870559208 VGKGFMIDDYTHBW-UHFFFAOYSA-N 448.567 2.195 30 10 IEEE C#CCOc1cn(CCCCN(CC)CC)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870563851 QYYUBQKTOGONMA-UHFFFAOYSA-N 446.592 2.256 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535812 RDPFQCQNEXLHAU-UHFFFAOYSA-N 431.500 2.112 30 10 IEEE Cc1sc(C2=C(N)N(CCOCCO)CC2=O)nc1-c1ccc(Br)cc1 1872796397 YILJPGHFDPHLQD-UHFFFAOYSA-N 438.347 2.402 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3cccnc3)CC2=O)cc1 1874198404 ZUONAYZPSLRGKR-DXRSZSRVSA-N 438.513 2.169 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(O)c2)cc1 1874306650 JNHBEBMKOLUFAK-FSJBWODESA-N 441.513 2.246 30 10 IEEE CCCNC(=O)CSc1nnc(CC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874525140 YGZNOAYIJZHGFM-KEBDBYFISA-N 434.478 2.020 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cs1 1889936574 CFLXZHMGMOURDP-AWEZNQCLSA-N 439.946 2.401 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)C2)c1 1890006919 GFXLIUIJSNWYQJ-LJQANCHMSA-N 440.525 2.034 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC(C)C)nc3)CC2)CC1 1890068351 MNEWBHFBKKZFFK-UHFFFAOYSA-N 428.577 2.131 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)C2)c1 1891393563 YFTOVUBDJSLMOE-QGZVFWFLSA-N 446.554 2.095 30 10 IEEE CN(C(=O)c1cc(=O)c2cc(Br)ccc2o1)C1CN(c2nccnc2C#N)C1 1891774068 VSPZHEZJLSLRDF-UHFFFAOYSA-N 440.257 2.178 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)C1 1991983501 IUKPJXKFQMDNSX-CABCVRRESA-N 425.526 2.086 30 10 IEEE C=CCN(CCC(=O)NCCn1cc(I)cn1)C(=O)OC(C)(C)C 2010408100 PRAUUKBKAZWEGP-UHFFFAOYSA-N 448.305 2.417 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060623818 QZEYFIUBVPDPBF-HIFRSBDPSA-N 432.330 2.408 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2094083533 CXYRMKIXWSUGKB-UHFFFAOYSA-N 432.149 2.135 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224122152 UZUDZULPUZVBIH-SJORKVTESA-N 433.358 2.309 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@]2(C)CO)c(B2OC(C)(C)C(C)(C)O2)c1 2232270685 KMDRHZLOVZONOC-QHCPKHFHSA-N 447.385 2.497 30 10 IEEE Cc1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247835161 HDZIZFBUBBPKML-ZDUSSCGKSA-N 437.371 2.490 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248402779 ATQNQGYSHQVILU-WFASDCNBSA-N 440.371 2.110 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CCN(Cc2ccccc2)CC1 2249699025 KJOVKZGORDBJTR-HXUWFJFHSA-N 429.561 2.389 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2255695265 CGKJLRWYFAEVOZ-CALCHBBNSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255820867 WHTVIKDSAJJPBG-DOMZBBRYSA-N 435.305 2.163 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843621 JMGQNHAEJMXZDI-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255855901 UQNIETZPFNEZOV-JLJPHGGASA-N 431.342 2.299 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874456 VJOPULLYCGZFFS-HOCLYGCPSA-N 433.358 2.452 30 10 IEEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256605033 HYYLZRRXNGIHTG-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256605034 HYYLZRRXNGIHTG-CQSZACIVSA-N 435.330 2.249 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267004249 BYLDZMLUMOYYGS-LPHOPBHVSA-N 438.381 2.421 30 10 IEEE CC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1Cc1ccccc1 2267130910 UUKJYDWBFUFAGE-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267133895 ILVAKMAPOUXUMU-GJZGRUSLSA-N 446.357 2.275 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267145094 DMPOETDVUXQVIQ-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2278701060 RZLOLVMFIQONEC-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2334257768 LSLSBFJCQMRBTC-KYJSFNMBSA-N 443.353 2.366 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3sc(C(=O)O)c(C)c3c2=O)nc1C 19990402 GPPWVCJESWLASU-UHFFFAOYSA-N 448.482 2.211 30 10 IEEE C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 140093817 GGXMRPUKBWXVHE-UDRFAIQJSA-N 444.902 2.410 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 253371284 ATIJNEFQXNJCDL-GOSISDBHSA-N 429.546 2.446 30 10 IEEE CC(=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@H](O)COc1ccccc1)c1ccccc1 253531987 BRLFCDWNQGNSOT-KRWDZBQOSA-N 448.483 2.112 30 10 IEEE O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 254484751 ZLSCFQFTIAYTIY-OALUTQOASA-N 430.551 2.405 30 10 IEEE CCO[C@H]1C[C@@](NS(=O)(=O)c2ccc(C#N)c(Br)c2)(C(=O)OC)C1(C)C 433349938 ZZWKUNMINOAAPA-WMLDXEAASA-N 445.335 2.346 30 10 IEEE CCO[C@H]1C[C@](NS(=O)(=O)c2ccc(C#N)c(Br)c2)(C(=O)OC)C1(C)C 433349939 ZZWKUNMINOAAPA-YOEHRIQHSA-N 445.335 2.346 30 10 IEEE CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(F)cccc2CC)c1=O 478742216 WXQDPRZFMKMNKY-UHFFFAOYSA-N 445.560 2.067 30 10 IEEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481052640 QKKZRPPTUZDFAG-KRWDZBQOSA-N 445.516 2.447 30 10 IEEE CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 500492873 AFAMDRNZVNJIRW-INIZCTEOSA-N 430.496 2.368 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508498033 PJWNSCSKBWDQOC-GOSISDBHSA-N 444.605 2.183 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 508933157 WSWHQNFUZAMACM-HNNXBMFYSA-N 432.488 2.452 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 511770057 OGIZJNLBVVIBAY-UHFFFAOYSA-N 442.523 2.289 30 10 IEEE CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)S(=O)(=O)c1cccc(C#N)c1 534132015 KNLIOIARIUETOK-UHFFFAOYSA-N 431.495 2.437 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)cc1 534602478 FIJABIYKMTXPJT-IBGZPJMESA-N 438.549 2.360 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 555260719 JWDSDIWUKJCKGO-UHFFFAOYSA-N 437.504 2.125 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)[C@H](CC)C1 559001854 LDEWNSOAKFDBHT-GOSISDBHSA-N 427.553 2.439 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N4C(=O)N[C@H](C)C4=O)c3C)cc2C1=O 561748077 IYGINDXVXGJUGD-CYBMUJFWSA-N 432.436 2.474 30 10 IEEE COc1cc(CNC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)ccc1C#N 563759666 VDPBEPMIYRGALU-OAHLLOKOSA-N 435.484 2.472 30 10 IEEE CCOC(=O)c1c(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)noc1C 571962820 BXDPHYLYVVBWSH-INIZCTEOSA-N 433.486 2.401 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2C1=O 603590447 HHOCRDLAYGOIBT-UHFFFAOYSA-N 431.452 2.168 30 10 IEEE N#C[C@H](C(=O)c1cccc(OCC(F)(F)F)n1)c1nc(N)nc(=Nc2ccccc2)[nH]1 607008882 BVJBBGXKBKAOMU-GFCCVEGCSA-N 429.362 2.445 30 10 IEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669803215 BAHSTJJCQVXPPT-MRXNPFEDSA-N 440.504 2.011 30 10 IEEE CC(C)[C@@H](C)NC(=O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725786930 PGSOULPMRUABLF-WAIKUNEKSA-N 425.533 2.155 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 727120584 NECLEEGIFZZEIE-QRVBRYPASA-N 434.581 2.001 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3c(Cl)nc4sccn34)cc2)CC1 727972037 PYGZQQCGYPUQHF-UHFFFAOYSA-N 438.966 2.431 30 10 IEEE COC(=O)C1=C(C(C)=O)[C@@H](c2cnn3ccccc23)NC(=O)N1CCCCCC(=O)O 731433920 LCLYZXQGUUYJJS-GOSISDBHSA-N 428.445 2.062 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCc3ccccc32)CCN1C1CC1 732706824 QNVRNFLSDWLJSI-NRFANRHFSA-N 429.524 2.387 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2ncccc2C#N)CC1)C[C@@H]1CCCO1 742039903 VLWAVZJOCUTNSN-SFHVURJKSA-N 429.521 2.018 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 743674772 IUJQSGSKRINJDO-GOSISDBHSA-N 433.505 2.493 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](c2cccnc2)C2CC2)C1=O 758088936 HHZYXFOLMLEZJM-MJGOQNOKSA-N 437.525 2.399 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c1 758227368 RPYYUUKEHLPECC-GVQLBQDUSA-N 435.550 2.055 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCF)cc1F 767734884 PMGYJOKETYGXSD-INIZCTEOSA-N 428.505 2.193 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 771531212 ZODJDNWNUOULIA-GOSISDBHSA-N 449.540 2.206 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CCC 772898463 MFAJYMZHTSFLNU-UHFFFAOYSA-N 432.615 2.394 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 789218020 BGJJMDMUUQBDHZ-GOSISDBHSA-N 433.553 2.464 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cncc(Br)c1 789967540 GGBFUBHUPLPUGF-UHFFFAOYSA-N 436.339 2.322 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(C(=O)NC3CC3)c2)cc1Br 790836735 QATYWJGNHRWFAF-UHFFFAOYSA-N 448.298 2.332 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1C 793470557 ZSLOMCYMJQYIMA-CQSZACIVSA-N 434.521 2.031 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)=NO1 798852274 XDTJNSNJQGDDRH-IEBWSBKVSA-N 445.495 2.204 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCOC2(CCOCC2)C1 800784578 NPBGAXVIIJORMF-UHFFFAOYSA-N 427.505 2.276 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@H]2CCCO2)C1 802689163 KXZDVKKKLWPYFI-DYESRHJHSA-N 428.468 2.325 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1C(F)(F)F 813056992 NFDSCVMUFPEAER-GFCCVEGCSA-N 429.342 2.409 30 10 IEEE N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 920108872 BVGNNRIMPVXGRL-SJKOYZFVSA-N 441.390 2.436 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 920113550 HSRYLAIIWYHKJE-FOIQADDNSA-N 441.434 2.394 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)c1 1083949062 FDVPXYMOKUFWGP-UHFFFAOYSA-N 427.446 2.330 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4ccccc4)cc3=O)C2=O)cc1 1128015087 AHVQXUADEXEXKY-FQEVSTJZSA-N 427.464 2.094 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1136315811 KBFZTHXEKKCFGO-MRXNPFEDSA-N 438.550 2.441 30 10 IEEE Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 1137206218 KRZJHAAGSUMYQA-UHFFFAOYSA-N 449.536 2.472 30 10 IEEE COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C#N 1152342340 NTISVOTZMQRUCH-UHFFFAOYSA-N 431.470 2.035 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)nn1 1162480735 QSWHIYOXZUPIKZ-SFHVURJKSA-N 440.504 2.172 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)c1 1180135595 SXMZQRQOBCGGLE-LFDOHDQPSA-N 438.571 2.098 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@H]2C#N)CCN(Cc2ccccc2)CC1 1181303921 CCRHMTOSWZOZHG-LJQANCHMSA-N 428.533 2.297 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H]3CCCN(C)C3)nnc12 1183670006 MNDOCBXUKQLGQL-INIZCTEOSA-N 440.573 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286399414 GMRGINPEGSRRSZ-OAQYLSRUSA-N 445.567 2.316 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1286415683 JEWPGBSCUCSZGB-FQEVSTJZSA-N 440.569 2.372 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1286440029 KUNXITLMJTVXIM-XTQSDGFTSA-N 441.495 2.479 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccco2)CC1 1286474067 ZDGSJGFNPMGWNU-UHFFFAOYSA-N 437.500 2.367 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1286594051 ZBNDGRPPCHFCTK-GOSISDBHSA-N 447.561 2.114 30 10 IEEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1286660114 DJJGJBBCKQQILJ-UHFFFAOYSA-N 428.518 2.041 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 1286783251 IFICUCLMFUXRIW-KRWDZBQOSA-N 442.564 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1nccs1 1286784086 WBSBPRDHNBETGN-UHFFFAOYSA-N 426.502 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1286785444 FQXSIDGZJJIARC-UHFFFAOYSA-N 443.458 2.378 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(F)F 1286966193 QEKBPRIZTOVJFV-CYBMUJFWSA-N 431.447 2.417 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCn1cc(Br)cn1 1288022365 GTBWFAQBSQDQOL-ZDUSSCGKSA-N 437.346 2.204 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(C(=O)N(C)C)c2)n1 1289987797 CYPKKDBGXVMXLI-HXUWFJFHSA-N 445.527 2.322 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCc3nn[nH]c32)cc1 1291831356 CEXYJLMQZCELOD-YKTMHCBJSA-N 430.534 2.456 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)C1=O 1297061576 JMWVYVCFFPJVLZ-XWSJACJDSA-N 435.565 2.426 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C#N)CC1 1297756688 CCAXXMYZIMOXMW-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cn2cccn2)c1 1300554081 ZUZAKCCANDZWLF-UHFFFAOYSA-N 429.528 2.172 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CO2)C1 1300656566 JRYUOVXUXOZITJ-IRXDYDNUSA-N 444.507 2.418 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCN(CC)CC1 1301303117 VHQGSUSWXYEMEB-FQEVSTJZSA-N 436.608 2.412 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC(=O)NCC(F)(F)F 1301354640 FEWXMVBZXSGURL-UHFFFAOYSA-N 444.483 2.349 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301429363 ZMDTWFQVGFDJKQ-HXUWFJFHSA-N 430.896 2.078 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1301956840 NZULRICGNWLBPX-GFCCVEGCSA-N 443.371 2.077 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(CC4CC4)n3CCCOCC(F)F)CC2)c1 1302999881 FZUJECDTMDZYFF-UHFFFAOYSA-N 431.491 2.496 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1305743356 YNHDEJIPXIOENW-AVRDEDQJSA-N 430.553 2.275 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)c1 1307496720 BPRYSWHKVQQHRW-INIZCTEOSA-N 438.450 2.439 30 10 IEEE C=C(C)CONC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1312950059 COJKWBBZOPAYJT-UHFFFAOYSA-N 438.369 2.424 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)c1 1314977717 OORZNKAHDIXADK-VDGAXYAQSA-N 440.548 2.200 30 10 IEEE CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC)C2)n1 1314981401 HLWKZWOLRZADOA-LJQANCHMSA-N 448.531 2.251 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315717288 PEKWMDJZHGZARE-QTIQAUKSSA-N 440.504 2.234 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CC(=O)NCC(F)F)cc1 1316529777 GWAPVPOOCZGTNW-SFHVURJKSA-N 444.486 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1CCOC1 1358976776 QCHWXILCHJJHLE-SFHVURJKSA-N 430.512 2.174 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359096642 FECWLZPQBMMJEJ-ZWOKBUDYSA-N 425.537 2.211 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(C#N)o2)CCOC1 1360320357 AGTJNVAMHWUXNZ-QFIPXVFZSA-N 444.536 2.183 30 10 IEEE C#CC1(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 1438849568 OUFRDCUSGNOCJE-UHFFFAOYSA-N 441.347 2.146 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1460533240 LGUFOVDTNJBXFJ-YZZKKUAISA-N 442.516 2.207 30 10 IEEE CN1CCC[C@@](O)(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 1464340156 JURMGSCMELRPJC-YVNGDZKUSA-N 436.578 2.065 30 10 IEEE C#CCOc1ccccc1NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1466207648 UKQADKOEAHGAOK-UHFFFAOYSA-N 432.458 2.049 30 10 IEEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CCCC1 1472528466 AJGLGWIVIWSAIU-UHFFFAOYSA-N 441.553 2.299 30 10 IEEE CCc1nc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1498399564 WKZAIMWGMSLCMX-ZPHPHTNESA-N 427.534 2.337 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1503248099 DHDIYXXQCHYSEI-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE COc1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1504265870 FBWHKUVBFIXPAB-KRWDZBQOSA-N 436.472 2.143 30 10 IEEE COCC[C@@](C)(O)Cn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504754800 HTWNVYFTUJBKAW-JOCHJYFZSA-N 426.521 2.258 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)noc1C 1507527467 IEIOXBIZCIXDOU-CYBMUJFWSA-N 427.534 2.349 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC#C)CC1 1507554134 LYHWFQVWVVKKPN-UHFFFAOYSA-N 438.963 2.420 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1507629182 KIDFNBVXHLAFDJ-SFHVURJKSA-N 443.573 2.174 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507634826 PYKHOJXYWGNTFD-NHCUHLMSSA-N 440.569 2.149 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)c(COC)c1 1507652888 LVTQJXSTDVELEO-UHFFFAOYSA-N 435.459 2.412 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[S@@](=O)CC 1507658894 RFXZJHUSORDWPX-PMERELPUSA-N 425.558 2.379 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)CCOC)CC1 1507720322 CJXIWCZJORAUQO-JPYJTQIMSA-N 445.539 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@@H](C)c2ccccc2)CC1 1507723512 KZLOAOYRGVEEDS-PZJWPPBQSA-N 436.560 2.152 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1)C1CC1 1507987573 GSXXTGOYOAWOEI-NRFANRHFSA-N 438.594 2.298 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21)C1CC1 1507988747 VKXZOANRHZODFD-DLBZAZTESA-N 444.605 2.494 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1508062410 HURKOCTUTVIFDS-KRWDZBQOSA-N 438.536 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCCOC2)C1 1508073460 NJWUWXSPTQJQKO-NRFANRHFSA-N 426.477 2.162 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1509061259 LKBFBDATRPCHMS-OVGZCAFISA-N 428.537 2.181 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1510294136 CQGDODIULPGYRC-GOSISDBHSA-N 438.532 2.215 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1515992390 NJYIHNZGRCFLLC-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCc2nc(C)cs2)CCOC1 1516234659 ZBDRMBLVUXSVDR-LAUBAEHRSA-N 446.577 2.447 30 10 IEEE COc1ccccc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1518489002 ZIMCSALBMICPKN-CQSZACIVSA-N 444.517 2.046 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)OC 1519149788 BXTJJQKZKPGYGV-SFHVURJKSA-N 426.521 2.179 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1530040307 WLKRPUFCADUUHW-UHFFFAOYSA-N 444.257 2.307 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1539211735 KQGMEICRLDRVLR-HNNXBMFYSA-N 431.905 2.262 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539216888 YBWCUMUERWUOIN-IAGOWNOFSA-N 441.557 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(N(C)C)CCSC1 1539405921 PYHFFCOYFOEUCL-QFIPXVFZSA-N 429.590 2.477 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539521075 XPDQRBWGDJHWSJ-SFHVURJKSA-N 428.562 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1539643127 LCVSRRGEFZJMIP-SJBKTWHCSA-N 441.580 2.226 30 10 IEEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539982670 POPJPQUREBHVCO-QZTJIDSGSA-N 425.599 2.389 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C)C1CC1 1540095313 ZSEWADUBCLMICU-UHFFFAOYSA-N 426.912 2.193 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1540484164 OWMYIKSIKIEVIU-LJQANCHMSA-N 449.596 2.120 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1 1548334338 GGUQJZJHBIGOHC-OAQYLSRUSA-N 441.561 2.276 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)Cc2c(C)noc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367908 VQORBOHIGZFLNT-GOSISDBHSA-N 449.433 2.188 30 10 IEEE CCSCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552641310 ZRIUJDFSMCDSKQ-WDSOQIARSA-N 434.610 2.322 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1555794296 ARPILBDTPJOCNU-ZWKOTPCHSA-N 433.534 2.436 30 10 IEEE CC(C)[C@H](C#N)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1556113633 ANZPKTMJJSPMFP-RTWAWAEBSA-N 434.496 2.433 30 10 IEEE CCOCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCc2ccccc21 1557936913 WISVNMYCYQKQLF-NRFANRHFSA-N 427.526 2.389 30 10 IEEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1559948880 HAPRANNGWALWAS-BDXSIMOUSA-N 441.576 2.330 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2cccnc2I)c1 1562031674 YLKXJVKMURWJTI-UHFFFAOYSA-N 444.250 2.370 30 10 IEEE COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CC2=O)cc1 1565047244 CXBUHMBJQGWADS-SFHVURJKSA-N 437.475 2.343 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)C1=O 1584302331 YOGBNQIEXZAUNW-INIZCTEOSA-N 448.317 2.350 30 10 IEEE CC(C)(C)OC(=O)CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCC1 1585043567 VRUTZBIREIPZNV-GOSISDBHSA-N 440.500 2.486 30 10 IEEE CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)CC1 1585333399 GXQHNEKQAIFYRU-QGZVFWFLSA-N 448.483 2.210 30 10 IEEE C#CCN(CC(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C 1586295687 UERWJBPMXJIGSV-UHFFFAOYSA-N 442.560 2.102 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588034771 LSIRPEAFWALJFU-VQIMIIECSA-N 446.573 2.109 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN(C(C)=O)C1 1588113765 RZAHIFNBANOENZ-LJQANCHMSA-N 433.512 2.048 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1588876776 IPONEGJMZODTHL-LEWJYISDSA-N 426.540 2.327 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1588993520 KKYXBCYLKFEEGB-BEFAXECRSA-N 441.557 2.044 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1589109950 LVOWPYPKRLUXJZ-UHFFFAOYSA-N 425.558 2.343 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1589250763 BLPLTFFHFBLLQB-OAQYLSRUSA-N 428.537 2.061 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1589381430 BTEBDDJYTURPNO-NVXWUHKLSA-N 448.369 2.191 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1589506069 RDWQCNRHWDXXFD-SJLPKXTDSA-N 447.517 2.069 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)CC1 1589559572 SUWOFPMTJVBLLD-NQIIRXRSSA-N 430.574 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 1595476392 KTBLSRMSLAWPDR-SFHVURJKSA-N 440.548 2.006 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2nc(O)c(C#N)cc2C)CC1 1595509823 LNHPMFVJKMTTAT-GOSISDBHSA-N 428.876 2.293 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H]3CC[C@H]2C3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595593375 BXBOSXDAGFYZGK-NXOAAHMSSA-N 430.553 2.340 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)CC[C@H](C)c3ccccc32)c1 1607585765 PKCTZPAMZBWPIO-QMHKHESXSA-N 440.521 2.294 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1608308700 XBYAHVQNXCLJQH-XMSQKQJNSA-N 430.553 2.275 30 10 IEEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1611151396 FARDNUJPCUSYBW-KRWDZBQOSA-N 441.561 2.084 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3cccc(C(F)(F)F)n3)CC2)c1C#N 1612469752 FPBDFIPUQNKVCJ-UHFFFAOYSA-N 445.453 2.289 30 10 IEEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1614274176 NEBKJLDUFIFBPX-ARJAWSKDSA-N 447.543 2.054 30 10 IEEE Cn1cccc1-c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1618443474 JHLKTMJCWSDXDR-SYLQMPFCSA-N 445.474 2.292 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2nnc(S)n2C(C)C)cc1 1622886502 IIJLCIKMFWHTCQ-UHFFFAOYSA-N 438.579 2.318 30 10 IEEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)c(Cl)c1 1628397147 XIBYMFYBZUWBLT-JKSUJKDBSA-N 437.258 2.487 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](Cn2ccnn2)C1 1629096621 TVHJSEIDINLOTH-ZDUSSCGKSA-N 434.294 2.238 30 10 IEEE C=CCN(C(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1634104451 VIUVTHVMHCZBAK-LJQANCHMSA-N 436.468 2.069 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1634215563 CHQZEAURIHTOEU-BQFCYCMXSA-N 442.603 2.385 30 10 IEEE C#CCN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814468 VXYPQFKZKUJIOP-UHFFFAOYSA-N 449.573 2.128 30 10 IEEE CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1639049857 MGDMSFWTVIBSFR-HXUWFJFHSA-N 437.496 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1(c2ccc(C#N)cc2)CCC1 1640134571 DHXUXZOSVSUGMS-KRWDZBQOSA-N 435.546 2.382 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1641222176 FCMGJHDIPGKEOJ-HXUWFJFHSA-N 443.525 2.212 30 10 IEEE C[C@@H](CC(=O)Nc1nccc(Br)c1O)/N=C1/NS(=O)(=O)c2ccccc21 1642793235 FISUZLIIMKESDJ-VIFPVBQESA-N 439.291 2.006 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 1643681147 PSNJTPTXGQPEJX-PKTZIBPZSA-N 425.554 2.307 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(I)cc2)c(=O)n1C1CC1 1644154818 QGEINBBWMUGSJM-UHFFFAOYSA-N 435.221 2.013 30 10 IEEE CSc1nc(C2CC2)cc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c1C#N 1644233964 FGFNWKUBFIBJMO-UHFFFAOYSA-N 428.539 2.398 30 10 IEEE Cc1cc(O)nc(N2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n1 1645592425 XTMFUAWWBXIKFH-MRXNPFEDSA-N 432.525 2.117 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CCO2)cc1 1645728480 YPPOKMQRSWLWAV-IBGZPJMESA-N 433.917 2.480 30 10 IEEE CCS(=O)(=O)NC1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 1648546650 FSXFDYDJIIVACD-UHFFFAOYSA-N 426.970 2.299 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 1653782075 NJVRQQZWPBZKPY-IEGUWTFLSA-N 442.564 2.275 30 10 IEEE C#CCN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1654784464 ALKUNPTZYXZRLS-HXUWFJFHSA-N 436.574 2.458 30 10 IEEE COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)[C@H]1CCC[C@@H](OC)C1 1662859496 DZDSWPKTTMOFFB-NORZTCDRSA-N 445.335 2.346 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1666222395 FYWQGZOZUOZCEI-GOSISDBHSA-N 444.532 2.447 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1674054976 DDHJIVKHJPEDKW-SFHVURJKSA-N 428.455 2.104 30 10 IEEE CSc1ccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N 1676035614 SDVUVTQMUIXCRZ-KRWDZBQOSA-N 440.525 2.404 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c(Cl)c1 1683870278 AOZXBXLWCHNLAT-ALOPSCKCSA-N 436.965 2.399 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)C2)nc1 1685867407 MZIMSIRISGNUAG-VQTJNVASSA-N 433.516 2.125 30 10 IEEE C=CCC[C@@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1686255438 LSOQOBJJKIOVHR-GJZGRUSLSA-N 438.491 2.096 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1689996025 CGWYTPSETHLYNT-YQVWRLOYSA-N 432.521 2.323 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1690133527 KLKTUMISADGJHF-YADARESESA-N 439.560 2.172 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690182951 IIKZHGYSOINKEU-GOSISDBHSA-N 448.614 2.464 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690428123 FMQVDGWQKKAOPI-INIZCTEOSA-N 449.559 2.461 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1690670953 MLVDWGVDDGXPDA-QAPCUYQASA-N 431.924 2.316 30 10 IEEE CN(Cc1cscn1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1696721777 OPIFKHPOVBDBTO-ISLYRVAYSA-N 429.550 2.486 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC[C@@H]2COCCO2)c1 1705503929 IREMLNMWOPBGSV-LJQANCHMSA-N 425.533 2.437 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2sccc2Br)CC1 1705639929 ZHTFRNYWFSXMFI-AWEZNQCLSA-N 436.379 2.410 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)SC)CC1 1705642336 PUVKEMJQLHVJJW-UHFFFAOYSA-N 432.619 2.166 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705658944 GFOUVVLSALGPKQ-RBUKOAKNSA-N 447.605 2.150 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1705659534 ZLDVLAPZJPLVDH-INIZCTEOSA-N 427.530 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705694262 QAGSEKWFSGZXFX-ICSRJNTNSA-N 439.564 2.203 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C)C1 1705896781 XVXKDHIFLYKPSL-NSHDSACASA-N 426.340 2.296 30 10 IEEE CCCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709606820 GCZXFURBUDLJPP-KRWDZBQOSA-N 439.564 2.439 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1722324568 UOBHNPBELNESLW-GFCCVEGCSA-N 429.468 2.355 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(N2CCOCC2)n1 1722346495 RKVVKADTDIQCHV-UHFFFAOYSA-N 433.472 2.203 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2ccn(C)n2)CC1 1722435704 NABCGEIHYCRIIG-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1N1CCCC1 1722446246 BZQMADJRPYNZFC-LJQANCHMSA-N 440.523 2.103 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722459286 HGRBABVIOCMSQA-QGZVFWFLSA-N 426.608 2.290 30 10 IEEE C=C(Cn1c(N(C)CCN2CCOCC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1722540549 DHDMUPNGURUYLM-DEOSSOPVSA-N 441.576 2.412 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1722630448 FTAMXOPOQFSHGT-KRWDZBQOSA-N 430.578 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)CC[C@@H]1C 1722737079 SIEVGFQWERZQGR-XSLAGTTESA-N 426.583 2.228 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CC[C@H](CO)O1 1723348700 QETPXVIUQRRIOK-HBMCJLEFSA-N 425.533 2.466 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCC2(O)CCOCC2)CCOC1 1723681141 ZWLAIQXTQQMORI-HSZRJFAPSA-N 447.580 2.380 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1724058189 XPXGYQBURFCVIM-HRAATJIYSA-N 430.484 2.336 30 10 IEEE Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCOCC(F)(F)C(F)F 1726379265 ZGGKHYMGYUTJKD-JTQLQIEISA-N 435.344 2.008 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCN1CCN(C(C)=O)CC1 1727574337 ASTGAMYVWZHSRZ-QHCPKHFHSA-N 449.603 2.335 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCn1cc(Br)cn1 1730764835 YXKSCGFKYLMSGP-OAHLLOKOSA-N 438.330 2.155 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1731147995 QHHCAEKCWGUGJA-QAPCUYQASA-N 437.504 2.459 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740595192 PBSVBWOXBJMVBY-MRXNPFEDSA-N 440.573 2.178 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1740638042 HHZSUNRFJNKHKG-RUZDIDTESA-N 444.539 2.470 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOCC(C)C)CC1 1740691742 BXYFPYUSXPRTMV-UHFFFAOYSA-N 425.533 2.492 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1)C1CC1 1740909929 DDZOLEGHZHGRCF-HXUWFJFHSA-N 445.589 2.399 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCN(C)C1 1740915676 OORGFXLIULVKOW-HSZRJFAPSA-N 435.532 2.003 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@H](C)C1 1740953088 VGJNYVAFIPNPGP-SJORKVTESA-N 430.528 2.390 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1740959018 IONWWHJZRPXJFM-UHFFFAOYSA-N 443.939 2.361 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1741002753 LSPABVSNZZUGCY-BRWVUGGUSA-N 426.608 2.247 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1741009486 CEASSFHQGQHXNM-UHFFFAOYSA-N 449.559 2.310 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1741133341 PUIFWQXWJLZVBM-RBSFLKMASA-N 448.618 2.406 30 10 IEEE CC(C)(C)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1741205010 ZEFRXYOHTINRLE-UHFFFAOYSA-N 448.579 2.452 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1741702626 CILAQNSKKUYPKY-MRXNPFEDSA-N 426.521 2.257 30 10 IEEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)cnn1C 1742082056 CNOXAPBZTYKUBU-UHFFFAOYSA-N 434.548 2.349 30 10 IEEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1 1747599050 HAWKXPBIIIUINX-HSZRJFAPSA-N 437.548 2.437 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1747858074 BKACEZWYAHJLEL-OAHLLOKOSA-N 441.513 2.334 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1748664240 FEICJHNDRYLZDB-MRXNPFEDSA-N 435.532 2.048 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748808157 AIYRSDHBBFRMIA-CVEARBPZSA-N 434.562 2.464 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(CCCCC2)O1 1748845872 BLPGAKDKPNVGDQ-MOPGFXCFSA-N 430.574 2.135 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2CC(OCC)C2)CC1 1748978841 QKAMIHHMPWZNLX-VUNKPPBISA-N 445.608 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1749067963 ZEDOMRRBJFFMLK-DENIHFKCSA-N 443.573 2.490 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749236052 ZVMMMBZJXUUBCX-QGZVFWFLSA-N 446.577 2.336 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749456953 NPTCOVYLIVALIX-IAGOWNOFSA-N 427.505 2.098 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1749464672 BHYGBIZUVKKIMB-GFCCVEGCSA-N 432.472 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1ccccc1CC 1749664377 LQWWGUCRDACDHC-UHFFFAOYSA-N 435.532 2.223 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1749708206 ZHVARKWEQDFMEO-FPOVZHCZSA-N 425.581 2.147 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)C2CC2)C1 1749714860 OEEZYOVZDPBSSQ-INIZCTEOSA-N 431.487 2.455 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1F 1750346332 VHANAHJOCIFQRS-FHLIZLRMSA-N 426.496 2.438 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1750388630 QPVTWEQXHMHQET-FGZHOGPDSA-N 438.576 2.029 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760192360 HVYLJBDYNMOOIZ-ZTFGCOKTSA-N 447.561 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1760269850 DQOKAMVENQDKSC-QGZVFWFLSA-N 446.596 2.309 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](COC)C1 1760275743 HHOCCGLDGYCHAE-INIZCTEOSA-N 434.587 2.188 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C 1760292307 XRYSIDMWASNQSU-JOCHJYFZSA-N 442.541 2.309 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760451779 STNOULSWIAHMPY-CVDCTZTESA-N 441.532 2.346 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1760559400 GZXQTSFVSKRTRY-YJBOKZPZSA-N 431.628 2.203 30 10 IEEE CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1764944347 CFRWAHPVJJXPNN-ICFOKQHNSA-N 448.325 2.408 30 10 IEEE CCCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1765893959 XWYRLQVUVCWCDW-FQEVSTJZSA-N 425.472 2.179 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(C#N)C1 1768517715 CBWHWULGUULLAO-QHCPKHFHSA-N 440.548 2.425 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)Nc1ccccc1 1769993743 BLZLDSMPSWYQPZ-HRAATJIYSA-N 430.484 2.473 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1770718527 CPHPSYVDYTYUCP-UHFFFAOYSA-N 438.532 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1772660365 IGEZVBHWINOLGH-APWZRJJASA-N 434.562 2.416 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)cc2)c1C(F)(F)F 1851504677 ZJTBCKCOOAIIHH-QGZVFWFLSA-N 447.417 2.226 30 10 IEEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(c3ccc(OC)nn3)CC2)c2ccccc21 1852593474 VUJRTPTXOZXIQT-UHFFFAOYSA-N 436.516 2.221 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c3c(nn2CCC#N)CCC3)c1 1853281359 RGHMWCLMFGLEOA-IBGZPJMESA-N 427.530 2.386 30 10 IEEE COc1cc(C)c(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1C 1854346447 ZPPIZPFPIZQWHP-GOSISDBHSA-N 430.482 2.274 30 10 IEEE C[C@@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C(=O)C12CCCC2 1854498498 OAGOABPHQJXZFV-INIZCTEOSA-N 435.521 2.275 30 10 IEEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1854536067 FWXNTGAEBRVLQM-UYAOXDASSA-N 431.558 2.253 30 10 IEEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)c(C)c1 1855723032 HKLJWAIHTNQQTO-QGZVFWFLSA-N 425.510 2.166 30 10 IEEE CCCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CCc3ccc(C#N)cc3)C(=O)O2)CC1 1856603579 OICYZUKYIPIVLT-LJQANCHMSA-N 433.530 2.290 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCc3cccc(Cl)c3)C(=O)O2)CC1 1856603749 PVNUBFRNLGDTRO-KRWDZBQOSA-N 439.921 2.185 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)c1 1862591940 RGGAWNTVNBTJAS-NRFANRHFSA-N 438.480 2.311 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862695801 ITWIDMFQTMLXRG-YJYMSZOUSA-N 425.437 2.441 30 10 IEEE CCCN1CCN(C(=O)[C@H](CC)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868797022 ZYEQDSIQDYUFLG-VQTJNVASSA-N 445.633 2.474 30 10 IEEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870413848 HLQFPACZYAHRFY-GOSISDBHSA-N 425.529 2.247 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN1CCN(C)CC1 1870653352 DSVJMDLLPSCRKP-UHFFFAOYSA-N 444.963 2.130 30 10 IEEE CCc1nc(C2=C(N)N(c3cc(OC)c(OC)c(OC)c3)CC2=O)sc1C(=O)OC 1872796305 UIDCOXMBKSJJMT-UHFFFAOYSA-N 433.486 2.235 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N(CCO)CCO)ncnc21 1873646433 JZAFYYKMHZXTQB-UHFFFAOYSA-N 433.871 2.453 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874354033 NZOFHZZDVXYUPE-UFFVCSGVSA-N 426.458 2.363 30 10 IEEE CO[C@@H]1C[C@@H](OC)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172779128 YHQISBWJTBLUOZ-ZIAGYGMSSA-N 427.148 2.383 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@H](N)C#Cc1ccccc1Br 2227491755 WPPIXYPKKACVGT-CVEARBPZSA-N 443.363 2.066 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435338 PEBAXMSICDBIER-CQSZACIVSA-N 432.348 2.034 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248589313 OOUXRYHCWRPMMS-KRWDZBQOSA-N 431.319 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2250809469 HEDIOPPNMZXJIE-HNNXBMFYSA-N 440.541 2.062 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2255599280 YKEDAPIKUWGUOB-UHFFFAOYSA-N 432.326 2.009 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CC(CNC(=O)OC(C)(C)C)C1 2255697771 KVFWXZKETFCTLN-UHFFFAOYSA-N 433.358 2.357 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)cs2)OC1(C)C 2255702410 GDQNCSVIBZUBSJ-IBGZPJMESA-N 441.406 2.251 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256605993 PHLHAHIPKQBBRR-UHFFFAOYSA-N 429.286 2.125 30 10 IEEE CO[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267106268 XLCOLWNNXAMDBU-ZWKOTPCHSA-N 446.353 2.350 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267130565 PKKCLVDDLMQGOK-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)CC2 2267142739 YLXAMTDKEWUJQF-GJZGRUSLSA-N 446.357 2.323 30 10 IEEE Cn1ncc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267189604 COCJAZDMWIPZFH-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2267272881 FCODGYJJJUJYMB-HZPDHXFCSA-N 449.332 2.458 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529730 OYUAIIJEKLCTNT-LJQANCHMSA-N 438.381 2.280 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267544655 XIKQIPFNBOZDIF-MJGOQNOKSA-N 436.365 2.274 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1)C(=O)OC(C)(C)C 2267547926 CHUXOOWQWQICNY-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268631867 DJCDESCKSYTSCA-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CCOC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2268653612 PJHYVSIIQBSNQW-UHFFFAOYSA-N 447.341 2.345 30 10 IEEE COc1ccc(C#N)cc1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2284156690 AKBSWRSOIIISGZ-FQEVSTJZSA-N 431.445 2.333 30 10 IEEE CC#CCN(CC(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2300536266 BTUSCKNJXRKTSS-XMMPIXPASA-N 429.561 2.390 30 10 IEEE COC[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C=CCN1C(=O)OC(C)(C)C 2314775250 IVLQFQJCRNXEOB-HYBUGGRVSA-N 440.544 2.415 30 10 IEEE C=CCn1c(=O)/c(=C/c2ccc(F)cc2)s/c1=C(\C#N)S(=O)(=O)c1ccc(C)cc1 105190565 KGFJRBZLDGDZJS-YJNSJFLASA-N 440.521 2.478 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN2C(=O)COc3ccccc32)cc1 109892229 RFBZKUPVMSHJDA-SFHVURJKSA-N 436.493 2.214 30 10 IEEE COc1nc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)ncc1Br 430647293 PWEBYFRWBPNSGW-CYBMUJFWSA-N 446.305 2.235 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccco2)n1C[C@@H]1CCOC1 461579679 DVNGWCAILKAFRG-ROUUACIJSA-N 448.531 2.070 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(Cc3cccc(F)c3)nn2)cc1 468842354 FWXLTDSVLVYNOC-IBGZPJMESA-N 436.472 2.491 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC(=O)N2C(C)(C)C)cn1 484048478 GOCQLOKYLJJNTP-IEBWSBKVSA-N 432.488 2.199 30 10 IEEE CN(CC(=O)Nc1ccc(Br)cn1)S(=O)(=O)c1ccc(F)c(C#N)c1 488821573 JIJRSPSZFQJZOU-UHFFFAOYSA-N 427.255 2.114 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@H]2C1 508946572 TZQKKVCUEYTZBP-SFHVURJKSA-N 430.578 2.056 30 10 IEEE Cc1ccc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1S(=O)(=O)NCC#N 540472715 KCVIOGBMKXDCEA-KRWDZBQOSA-N 444.532 2.455 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@H]2CCCCO2)cc1 550004301 WFVKFMNZGJDTOY-XXBNENTESA-N 436.516 2.014 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](c4ccc(Cl)cc4)C3)CC2)o1 569092055 BAMJTJOAZQLOLW-IBGZPJMESA-N 429.908 2.230 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@@H](CC)C(=O)OCC(C)C)nc1C 586304626 QBDGSDHFGQWZQW-CFJPQMKISA-N 430.548 2.459 30 10 IEEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)c1 604001426 PBVQMGKFAGVTGD-UHFFFAOYSA-N 440.528 2.169 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)CC1 605412368 UJTSLCUCGKWWEA-GOSISDBHSA-N 427.549 2.153 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 673739217 CKYZFPXVOQNRQY-UHFFFAOYSA-N 425.533 2.110 30 10 IEEE N#C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccc(Br)cc1 733254628 ZLUNQQVKZPAULW-IAGOWNOFSA-N 444.264 2.389 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C#N)cc1C 748402788 SHSSWFDWGZKHFR-CQSZACIVSA-N 445.497 2.310 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1COc2ccc(F)cc2C1 752896823 XQXZCQBWNJGGEI-WMZOPIPTSA-N 445.516 2.399 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cc(C)cc(C)c2)C1 760300470 HXNAGBGOSXYFOM-SJORKVTESA-N 431.562 2.175 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 766979159 FXHGGCXUMHYAQO-UHFFFAOYSA-N 438.387 2.440 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 767831472 ZGHJOCJBPCQBAN-KRWDZBQOSA-N 443.319 2.126 30 10 IEEE C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 769838300 HNCXLDXBRPXXRQ-JFENUBAZSA-N 429.498 2.155 30 10 IEEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O 774252791 WZGHPLFIMVBGBZ-KRWDZBQOSA-N 434.606 2.464 30 10 IEEE C#Cc1cccc(NC(=S)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 780764213 AXJZLQXNFVCYLQ-FQEVSTJZSA-N 436.585 2.220 30 10 IEEE CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 780826648 CBPZTURJJJEFMQ-IBGZPJMESA-N 427.505 2.362 30 10 IEEE CCOC(=O)[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)C1C2CC3CC(C2)CC1C3 794174430 YZDPRYGRLNIICE-XCJVHVOQSA-N 443.544 2.271 30 10 IEEE C#C[C@H](CC)n1c(-c2cnn(C)n2)csc1=Nc1cccc(S(=O)(=O)N(C)C)c1 803170722 ZJCLTRWJBLCGAJ-OAHLLOKOSA-N 430.559 2.412 30 10 IEEE C=CCN(Cc1cccs1)C(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803749028 DSUGTNMQPTYXBC-UHFFFAOYSA-N 442.585 2.210 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1C#N 804069893 DSZFNBVVOVOEGN-UHFFFAOYSA-N 443.463 2.147 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3ccccc3)c2C)c(=O)n1C1CC1 839376752 HULGRXLSVRSXPO-UHFFFAOYSA-N 444.560 2.458 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1 916179394 ZHQVXCSHAMTQMJ-UHFFFAOYSA-N 425.491 2.034 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 916777531 JOKPEUWZUYUJQX-UHFFFAOYSA-N 439.537 2.376 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)cc1 1084530694 BINHYCRFIBVEDB-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE Cc1ccc(N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C2CCOCC2)cc1F 1132093011 KXIIZACTKSBZAJ-UHFFFAOYSA-N 431.489 2.385 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)C1 1136214128 OVOHFFNQMPSVFG-OAHLLOKOSA-N 435.521 2.234 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CNC(=O)c3ccccc32)nn(-c2ccc(F)cc2)c1N 1141569363 GRWRPXZBAOCXSC-IBGZPJMESA-N 432.459 2.041 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1146221547 SLWUZLUKVLWURN-ICSRJNTNSA-N 446.548 2.106 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)C1 1177759419 PABZHXIXWVHQGS-QGZVFWFLSA-N 425.533 2.275 30 10 IEEE O=C([C@H]1CCCN(C(=O)c2ccccc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272108 AXIVDMBRYGCJIK-SFHVURJKSA-N 435.480 2.443 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)CC1 1194065999 AVMLXSWQWGTMLU-UHFFFAOYSA-N 441.347 2.263 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCN2CCOC[C@H]2C)c1 1286310972 ISVAYSMZDCAIHU-LJQANCHMSA-N 438.576 2.254 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(OC)OC)c1 1286432464 LJVSPMNTWOOKGK-UHFFFAOYSA-N 435.528 2.203 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccnc(OC(F)F)c2)CC1 1286482629 VBKIJIZMLARIIP-UHFFFAOYSA-N 439.470 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1286495469 WVTMHQFUGOHIOG-CMKODMSKSA-N 429.565 2.301 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286504634 UGDQBBFFFKTCAT-LJQANCHMSA-N 439.589 2.289 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286608903 VIGXMVBBKGMZHF-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE Cn1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c(I)n1 1287524639 DRYQFFCHBNMWQN-UHFFFAOYSA-N 435.269 2.295 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1292704355 UYJNXKQFOGGOBE-PKOBYXMFSA-N 445.568 2.156 30 10 IEEE CN(C)C(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C(C)(C)C1 1295684559 ZXSJLWLSNOVLOZ-UHFFFAOYSA-N 448.365 2.361 30 10 IEEE C[C@@](CO)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccc(O)cc1 1299961978 SVLIYSQLGAGKAS-FQEVSTJZSA-N 430.302 2.486 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 1300496132 OMLDGDFRKAPNSR-HXUWFJFHSA-N 428.558 2.182 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1300506158 NRHKBIDKSNUJQB-VQTJNVASSA-N 428.558 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NC1CCCCC1 1300547701 BIEKVBBLGRRPPF-UHFFFAOYSA-N 435.528 2.387 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300766319 ZVYUNHDBNSYCQG-AEFFLSMTSA-N 429.521 2.309 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1301237771 XWPWQZZPXVDIAL-HKUYNNGSSA-N 432.569 2.352 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301497720 BKFGENZSLXZEPE-QGZVFWFLSA-N 448.568 2.315 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301509240 DFNQNOZFNOCGQX-HXUWFJFHSA-N 438.576 2.266 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(OC)CCOC2)C1 1301556844 MVQKFNZUMWRMRN-XXBNENTESA-N 428.533 2.464 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCCCN2CCOCC2)cc1 1302993323 CSTMFPPJMNWMEB-UHFFFAOYSA-N 440.548 2.068 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCS1 1303978454 OBXVJTFWEXDICZ-UHFFFAOYSA-N 431.562 2.460 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)C2)nc1 1312679243 YVCLHYCUCFHMGS-RTBURBONSA-N 425.537 2.219 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(-n3cncn3)c2)CCOC1 1314073141 BMKSSVSFQGUFBQ-HTAPYJJXSA-N 436.520 2.298 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1 1315055934 FKLYOIPRCMTQER-UHFFFAOYSA-N 436.545 2.400 30 10 IEEE CO[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1315187544 HSMRBZHPMFXEQJ-DYESRHJHSA-N 430.459 2.483 30 10 IEEE COCCCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316014304 NQJLNZAEVVVNSC-UHFFFAOYSA-N 435.536 2.007 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1353743136 KZBXMVCWQUUWIC-UHFFFAOYSA-N 433.306 2.234 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC[C@H]2OC)c1 1358901648 RUFAKABOIGIMTB-GHTZIAJQSA-N 448.527 2.381 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1358916037 XREYMIITCPGYEI-QHCPKHFHSA-N 436.564 2.429 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1358917931 GKNATMSASAXVMR-OFNKIYASSA-N 431.581 2.035 30 10 IEEE C#CCN(c1nnc(C)n1CC1(c2ccc(OC)cc2)CCC1)[C@@H]1CCS(=O)(=O)C1 1358956997 OCPFLCRHZBTLOG-LJQANCHMSA-N 428.558 2.344 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1359007616 OSCLSCZIFFEIIL-QFIPXVFZSA-N 437.573 2.491 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](OCC)C(C)C)CC1 1359038527 ZCNAPMXLXYIEHM-OAQYLSRUSA-N 427.597 2.346 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1359039178 YWZDNDJMSKGILQ-QFIPXVFZSA-N 447.587 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC=CCC2)CC1 1359040883 IRNQBZWCLGCSGK-RBUKOAKNSA-N 429.565 2.324 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359157196 BHQGUIJZMHWWOX-HNAYVOBHSA-N 438.916 2.341 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1359240079 FPWAFZDHIBAOJR-HKUYNNGSSA-N 449.577 2.009 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1359260384 CGSJBPBXJAKLAR-NOVUIFNWSA-N 431.537 2.472 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359299635 KFWIZVZEEOJGTR-RTWAWAEBSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1359304668 FQTOSDMHRDJZQM-IYBDPMFKSA-N 431.562 2.498 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1443147039 WDEOQIMWMWOWNJ-QZTJIDSGSA-N 436.553 2.204 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1443212898 XDRLZTCFOPYOMZ-UHFFFAOYSA-N 430.306 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O 1446731246 GGZTYRJNBMZFPS-HKUYNNGSSA-N 447.557 2.476 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3cnn(CC(=O)NC4CCCC4)c3)CC2)c1 1452691404 HWOPJINFTIASET-UHFFFAOYSA-N 434.544 2.208 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 1471521662 MRLRUEANXKRYHF-WSDUQJHMSA-N 436.599 2.075 30 10 IEEE C#C[C@H](NC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1 1478094947 XXFOHHXPTJBJGE-WTANOLMUSA-N 433.306 2.143 30 10 IEEE CN(C)C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)c(Cl)c1 1479087768 AFZQUNDEZMPBEF-QANKJYHBSA-N 445.372 2.176 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507515698 IFCWJEFJWJYHTA-MWDXBVQZSA-N 425.599 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1507664944 JCEFPBRYOCPMGV-UHFFFAOYSA-N 431.475 2.076 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507744991 YORMLRYXVJAUCY-KRWDZBQOSA-N 440.573 2.181 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1507885106 RSLUFQBYSKRXLT-LJQANCHMSA-N 443.573 2.087 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)on2)C1 1508131962 PUUCIRMPUSJTOK-MRXNPFEDSA-N 428.518 2.396 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1509302425 JQIAEYZXTYNAOE-KRWDZBQOSA-N 429.569 2.081 30 10 IEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1516988994 AKOJBNZUPCSXJV-GCJKJVERSA-N 443.502 2.284 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1519076676 CJDTWRCNZOVBBN-SFHVURJKSA-N 438.532 2.260 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](F)(C#N)C1 1519529118 FMUHFYXVPVHIBK-FQEVSTJZSA-N 447.492 2.194 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1520702435 VLXNVHWHRYJRFY-OAQYLSRUSA-N 448.976 2.491 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C 1536489299 BAOKCRBNMWZVMF-JKSUJKDBSA-N 426.477 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(CC)CC 1538982823 JQAUDTWNWVCGGD-ZWKOTPCHSA-N 446.621 2.384 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1539013302 INJQPJVMYHKJNW-XLIONFOSSA-N 429.590 2.138 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1539237539 FXIGHVXMGYWELR-RDPSFJRHSA-N 436.560 2.474 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1539444424 NVDCQEXEMQDEFK-QHCPKHFHSA-N 447.587 2.350 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)C1 1539545396 HDMHIWFDCIZVMP-HUUCEWRRSA-N 443.529 2.204 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539923610 FUUSZYFXTRBJSA-UHFFFAOYSA-N 437.548 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1540901137 UGTJNTSMSOHXLB-LJQANCHMSA-N 431.562 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1csc(C)n1 1540903287 CCMQUEQTMOSUGX-NVXWUHKLSA-N 437.591 2.489 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540911832 DMJJAYIYMUZNTE-UHFFFAOYSA-N 448.556 2.323 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1542905031 COWDMHAAFBLTRI-INIZCTEOSA-N 434.591 2.199 30 10 IEEE Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1542974254 OBCMYWQLUFTOFQ-NRFANRHFSA-N 446.515 2.443 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)c3cccc(C#N)c3Br)c2)NC(=O)NC1=O 1545079881 NZAWGFNOVBTHHS-IBGZPJMESA-N 427.258 2.305 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O 1545251152 BNQVWYVWUDEJGA-IIBYNOLFSA-N 433.578 2.485 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)C1 1547259242 FBSJGZYOZSCTDX-QFIPXVFZSA-N 426.521 2.260 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1555521492 YRYKNHAIVBHMOW-OAQYLSRUSA-N 449.563 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN([C@H](C#N)c4ccccc4)CC3)OC2=O)C1 1559613646 CJOGLGIKOHRYIZ-WOJBJXKFSA-N 440.544 2.421 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1561745045 HCUIRGMGDCASRM-APWZRJJASA-N 428.576 2.121 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2scc(Br)c2Br)CC1 1561765162 WGKJCAKTBYGBCN-UHFFFAOYSA-N 429.155 2.422 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 1565758060 MMJKJCXZHHBPOT-AEFFLSMTSA-N 433.530 2.086 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)n2)c1 1586513506 ZXNXDWOABVGAMW-KBXCAEBGSA-N 438.431 2.326 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1586777945 OZNLMSXYWXFEDF-IXDOHACOSA-N 436.574 2.087 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1587383186 PJVMFXRWBSCHOI-CQSZACIVSA-N 443.363 2.392 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1587773746 UAHBVAZZAJYEID-IBGZPJMESA-N 441.543 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1ccc(OC)c(OC)c1OC 1588124907 VUIKZTPUJAGYCU-UHFFFAOYSA-N 432.484 2.076 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2ccnc2C)CC1 1588733462 TXWRDJCSEQJFMM-UHFFFAOYSA-N 446.559 2.108 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)F)CC1 1588801146 WNLMQQYCSIQMSW-UHFFFAOYSA-N 439.470 2.183 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C/C=C\CC)CC1 1588836977 PEDMXEJQYYNLCE-QWUACUGRSA-N 444.580 2.308 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC2(CC1)OCCO2 1593763321 GTQVLYAWVJVYKU-UHFFFAOYSA-N 433.553 2.115 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCOC1 1593833904 FRQKOIZODHDBIS-OAHLLOKOSA-N 439.969 2.421 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(OC)OC)c2)CC1 1594014484 SBACQCPXFVIISQ-MRXNPFEDSA-N 449.577 2.384 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 1594783782 IQVLSOZKDFEBBL-UHFFFAOYSA-N 431.562 2.309 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1)C1CC1 1595033817 QWYVQRVISPYBRL-SFHVURJKSA-N 432.546 2.309 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595776824 GCHJIOINJURURZ-OALUTQOASA-N 443.573 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)Nc2ccc(F)cc2OCC#N)C1 1595937063 ACTDTEKWHACVLP-AWEZNQCLSA-N 441.481 2.091 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)CN1C(=O)COc3cc(Br)ccc31)C2 1597704899 IPCSOPQSDPVGHX-MRXNPFEDSA-N 426.270 2.330 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@](C)(O)c2ccccc2)n1 1612502420 HOAYTGYJHILXPD-NZQKXSOJSA-N 435.532 2.166 30 10 IEEE CC(=O)N[C@@](C)(C(=O)N1CCCc2c(C#N)cccc21)c1ccc(S(C)(=O)=O)cc1 1616597166 XLDAXWZUUZVVBG-JOCHJYFZSA-N 425.510 2.292 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 1618041109 JESAHRMUMYHAEK-MJGOQNOKSA-N 437.562 2.132 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOCC3(CCOCC3)C2)C1 1625004581 OGEKVBYGTLQQNI-UHFFFAOYSA-N 434.334 2.413 30 10 IEEE Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N(CCC#N)CCN2CCOCC2)cc1 1625971763 ILIISQKLGMJQJQ-SFHVURJKSA-N 448.365 2.357 30 10 IEEE CN(C)Cc1nc(C(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)no1 1626382827 PXLAWYVHLQZDKE-HEOKHYPTSA-N 446.552 2.269 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)C2=O)cc1 1639973616 GQAALNJNYBBYFO-WIYYLYMNSA-N 434.471 2.358 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCC#C[C@H]3CCCCO3)c2c1 1640375844 ZSUKYGUUPFRGJB-MRXNPFEDSA-N 445.541 2.273 30 10 IEEE O=C(NCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2[nH]1 1641858138 QXGHYXHMZMTZSV-UHFFFAOYSA-N 434.452 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1644886174 BOPSXVKTJAGGRM-ZDUSSCGKSA-N 425.482 2.252 30 10 IEEE NC(=O)[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 1646198713 XDRWPUFWMDWHDR-VQTJNVASSA-N 429.442 2.374 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)C2)c1 1647932835 NQVWLIJYZUNKJQ-UHFFFAOYSA-N 425.510 2.204 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O 1648461020 YENQXYCJECYGTI-GOSISDBHSA-N 430.555 2.252 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1OC 1652909804 USKMZIUBZCFLHX-WEVVVXLNSA-N 436.516 2.267 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1656404598 GLDKXJYDDXROGC-OALUTQOASA-N 438.546 2.462 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)c1 1665265367 RBSGBSRDCOKFSB-HNNXBMFYSA-N 449.554 2.414 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 1683482793 AQYDXNYHDQMDQW-ZDUSSCGKSA-N 448.325 2.182 30 10 IEEE CC(=O)Nc1ccc(OC[C@@H](O)CN(C(=O)NCc2nc(C#N)cs2)C(C)C)cc1 1684392963 HEIJQVBHZQMAKT-KRWDZBQOSA-N 431.518 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1689867530 UMQUWZYCLSKHCL-HOCLYGCPSA-N 428.541 2.477 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1689998124 BWORIHUQEWSUMA-WOJBJXKFSA-N 446.548 2.447 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1690017791 LXHBFYJFIQTDDA-CTNGQTDRSA-N 433.560 2.076 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCC 1690019296 FKJWRKNUWKVRQY-WZONZLPQSA-N 445.564 2.210 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCN(C)C1 1690097848 QDGYLCMNCNNVHE-HXUWFJFHSA-N 438.359 2.405 30 10 IEEE C=CCCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690467934 MXOFCJSRKRYLRN-HSZRJFAPSA-N 442.564 2.331 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1690677213 RCIJVFPWPHGTEG-UHFFFAOYSA-N 429.496 2.355 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1 1690681005 CPCTZKYIZZNCRS-UHFFFAOYSA-N 425.533 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690719891 UYXWBKQFRZNEQS-HKUYNNGSSA-N 445.589 2.227 30 10 IEEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690974406 SFVASJSEUBBXSV-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1)N(C)C 1692728924 RTCRMDCUBNXGJR-AEFFLSMTSA-N 447.584 2.277 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CC(=O)N1C 1693786825 ROELZIPKRFWRIH-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1705492572 SPAPSGUCQCYKFQ-AEFFLSMTSA-N 432.569 2.377 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cc(OC)c(OCC)c(OC)c1 1705580426 IZPCNRWBDGNOJA-UHFFFAOYSA-N 432.484 2.272 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC=C 1705591133 GWYPPUCGMLNYJA-UHFFFAOYSA-N 426.318 2.473 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCOC[C@@H]1CCOC1 1705669443 MWLNPJQKIHBSKR-WWPVKYPJSA-N 432.565 2.366 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1705834272 HRVOTBLAGYIGID-HKUYNNGSSA-N 432.594 2.175 30 10 IEEE C=CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705949428 YLIBFYUUALPISV-SFTDATJTSA-N 437.610 2.200 30 10 IEEE CC(C)(C)N1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1706149010 CFIMORVCWROPIB-UHFFFAOYSA-N 425.537 2.224 30 10 IEEE C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1706785243 HKMIXPRQXAVRFW-IBGZPJMESA-N 430.560 2.484 30 10 IEEE COC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1711485889 ACNSVRJMNDQNIK-IBGZPJMESA-N 435.529 2.105 30 10 IEEE COc1cccc(O[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1711935297 HKTJEXFUEBERQE-OPAMFIHVSA-N 442.495 2.432 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(F)(F)C1 1712912828 JKMMQSOZJCLNBQ-ICFOKQHNSA-N 449.849 2.365 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCC(=O)N(C)C)c1 1722304744 FLHMPVROZGICOA-UHFFFAOYSA-N 445.527 2.265 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1cccs1 1722373062 DJOQDESYNDFUPW-YADHBBJMSA-N 428.558 2.361 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722482235 GOYNTWYUZINLNZ-CVEARBPZSA-N 437.342 2.101 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCS1 1724030695 FUYIHPMFBRRJFC-UHFFFAOYSA-N 440.573 2.397 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cccc(F)c2)CCOC1 1728814906 BAEJDNCZXGJXSL-SIKLNZKXSA-N 429.496 2.431 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1729235557 MUARBSDIPYHTFS-QTEAWJPNSA-N 431.562 2.217 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1729397677 GMJXVXJNYSTNKV-SFHVURJKSA-N 430.578 2.365 30 10 IEEE CN(CCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)CC(F)(F)F 1729534802 BLVIRIWILWJFSO-UHFFFAOYSA-N 427.475 2.025 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1740623463 USKBHAJTANCBPF-IBGZPJMESA-N 426.542 2.395 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1740635776 ZNCORGKZJQTSPY-HXUWFJFHSA-N 435.528 2.340 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[S@](=O)C(C)(C)C 1740682766 ISLPODKTROUSPB-PMERELPUSA-N 432.546 2.307 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1740698976 RNJVVNLOXVDIQB-SFTDATJTSA-N 428.625 2.265 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(C)(C)O)CC1 1740706997 LBMOWCBZJNYAAD-UHFFFAOYSA-N 427.524 2.135 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1740725098 MFQQFNTUFUZJIF-ZPMCFJSWSA-N 445.589 2.178 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1740914287 OIKLWHWPSOLLRZ-LJQANCHMSA-N 447.561 2.147 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O)N(C)C1CC1 1741835403 YSLPXHWNQDXCIH-INIZCTEOSA-N 430.578 2.170 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)cc1Br 1742204867 WGYVNLHWSYCEGL-HNNXBMFYSA-N 447.337 2.269 30 10 IEEE CC[C@H](C)c1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743797418 FGDDTDCAUANDBZ-MXLIYFDZSA-N 428.537 2.467 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1746473737 AUVBSAPBOXULHG-UHFFFAOYSA-N 446.559 2.495 30 10 IEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1747967844 RVUMTXIGQNJARI-UHFFFAOYSA-N 432.532 2.324 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(O)CCC2)c1 1748694816 PMYNTEXRONSOAN-UHFFFAOYSA-N 430.512 2.235 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1748716280 XHQNOEBEYRTDFC-RTBURBONSA-N 435.594 2.328 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748817374 JSBYWQAFYLEOQE-GOSISDBHSA-N 434.537 2.299 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)C1CC1 1748945329 QQERCZQZANMASJ-AZUAARDMSA-N 446.548 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(N(C)C)CCC2)CC1 1749017100 WCSNBANEJROPPJ-UHFFFAOYSA-N 440.617 2.381 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1749026577 NFPRZNWLQKKTQK-QFIPXVFZSA-N 443.573 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749128781 ZRCUZMXFGHWPJR-HKUYNNGSSA-N 437.610 2.387 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1749143174 FAYHCMMJSWDEIS-INIZCTEOSA-N 449.577 2.384 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(S(C)(=O)=O)CC2)C1 1749714473 KKUPXHSTPUSZDW-SFHVURJKSA-N 446.573 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(OC2CCCC2)CC1 1749735370 RIJAYWLLFBFGHT-QGZVFWFLSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCC[C@H](COC)C1 1749736454 JIERVSCKWHPEEN-SFHVURJKSA-N 433.578 2.118 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCSCC1 1750467219 ARGNCPFOJZUHMT-UHFFFAOYSA-N 441.605 2.450 30 10 IEEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(N3CCOCC3)CCSC2)n1 1751601934 HNIAYUHJPAGJDC-JTSKRJEESA-N 441.605 2.452 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1760183875 UUPKBMGOJYBHRT-NWDGAFQWSA-N 439.326 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2CC)CC1 1760271587 CXHKNFCYGOPTCW-HXUWFJFHSA-N 440.617 2.381 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760282753 OQQPDZJZFGREEB-OAQYLSRUSA-N 448.589 2.389 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760339162 ZJFPBIUJRFXCJP-QRVBRYPASA-N 437.610 2.389 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CC1 1760402385 LHHXDHSFTCMGQB-QGZVFWFLSA-N 430.578 2.092 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760452520 NEYNFJVHANAVRO-IBGZPJMESA-N 440.548 2.314 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)CC)C1 1760537031 LJSHRTCFVPYUPP-AWEZNQCLSA-N 437.342 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@@H]2CC)C1 1760549741 LQQFBWIALPHFER-PMACEKPBSA-N 430.597 2.446 30 10 IEEE CC(C)C(=O)NCCn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760700022 LHZLJSHUCXXIFG-ZACQAIPSSA-N 447.584 2.417 30 10 IEEE CC(C)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760910901 DJKUDFAQVLZQJE-DPPKGPFUSA-N 428.537 2.181 30 10 IEEE CCN(C)C(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764694135 XDHPFKOEBRCXIR-UHFFFAOYSA-N 449.490 2.021 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(C)(C)C(=O)NC 1766395298 BPUPRMABHSNGCM-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1766715316 RVOQRUYIVDGNHB-INIZCTEOSA-N 441.561 2.419 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1767190012 UDWUBBLBXFJNSZ-UHFFFAOYSA-N 432.525 2.037 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1768281187 OBOVSHCQRUTCIQ-IYBDPMFKSA-N 448.618 2.476 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCc1ccco1 1768634485 RBUAUZAMFJYUPY-UHFFFAOYSA-N 430.472 2.096 30 10 IEEE COc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)cc1O 1770163535 CFEMYQUQNSKEAJ-UHFFFAOYSA-N 436.472 2.378 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)O[C@H]3CC[C@@H]3NC(=O)c3cnn(C)c3)n[nH]2)c1C 1849190758 PTZJDXHKRIAXQM-LPHOPBHVSA-N 437.504 2.317 30 10 IEEE N#Cc1ccnc(OCC2CCN(CC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)c1 1849379594 FBLORTRFKZHNFW-UHFFFAOYSA-N 432.480 2.299 30 10 IEEE COc1ccc(OC)c(CN2CCN(C(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)c1 1851750488 PJLCPWSUSZEIEZ-UHFFFAOYSA-N 434.500 2.193 30 10 IEEE N#Cc1ccccc1OC[C@@H](CS(=O)(=O)c1ccccc1)OCCN1CCCC1=O 1852834695 MTFVJEPUGHIIEG-IBGZPJMESA-N 428.510 2.419 30 10 IEEE C[C@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1856408532 RXYCVGDQBVBQJF-OAHLLOKOSA-N 425.938 2.257 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C1=O 1857150837 QOPCHYRUTQXJDC-KRWDZBQOSA-N 445.310 2.217 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 1862755945 HWORADRRCJTACD-IBGZPJMESA-N 440.408 2.327 30 10 IEEE N#CC1CCN(CCNC(=O)c2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2)CC1 1891060834 RRHUBKKKKLYDST-UHFFFAOYSA-N 444.532 2.270 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010540839 MKDWUDVBXYXZKY-SXLOBPIMSA-N 428.533 2.247 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 2054343282 OSSNEMVZKSKNOR-ZDUSSCGKSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669789 HJDCFHNRHMCNIS-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE CON(CCNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247919011 OIVRZQXQTVQEAC-UHFFFAOYSA-N 441.359 2.279 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@]34C[C@H]3CN(Cc3ccccc3)C4)ns2)OC1(C)C 2247920174 XCBRFDMQEKBSMR-AOMKIAJQSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254802877 YRAJXFXWYWQXGW-DZOHQFGASA-N 431.342 2.473 30 10 IEEE CC[C@@]1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2255629770 ATODSSUONUIQKF-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255646399 VVHLVRJHJRMDAJ-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2255822003 ITLDAELPMFFHAU-SFHVURJKSA-N 430.232 2.170 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829371 NZOASIFIJUKWFO-LSDHHAIUSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256021176 RUMVFGKWWOTERL-OAHLLOKOSA-N 433.358 2.298 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267145595 FQULGWLZGVATOB-QDMKHBRRSA-N 446.357 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]12 2267145884 JIBAZCBYEAQOMD-NYHFZMIOSA-N 446.357 2.371 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)n1 2267497703 FFLOTHOVSVOMAH-IBGZPJMESA-N 438.381 2.360 30 10 IEEE C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267592007 BIDPAISNPBZAGQ-HNNXBMFYSA-N 446.353 2.086 30 10 IEEE CN(C)CCN(CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2268628628 KKHATPBDRFATLR-UHFFFAOYSA-N 448.373 2.118 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)c1 2268638290 SAZOSKCZRZUCFX-UHFFFAOYSA-N 445.369 2.442 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268640510 XJNSUACZGRYLMF-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2282186360 TULINCSGPIJULK-YADHBBJMSA-N 449.360 2.106 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3COCC3(F)F)cc2Cl)OC1(C)C 2282306266 LDHPCZZPHFIBOR-SECBINFHSA-N 429.703 2.013 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)c(Cl)c2)OC1(C)C 2282828868 WCMWWXQTQDKTEM-ZDUSSCGKSA-N 443.758 2.023 30 10 IEEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282835450 UZSJXAIWQGDNTA-REFGNXHDSA-N 441.833 2.088 30 10 IEEE O=C(O)COc1ccc(C=C2SC(=Nc3cc(C(=O)O)cc(C(=O)O)c3)NC2=O)cc1 2314926543 LKIILIFRKIRKTD-UHFFFAOYSA-N 442.405 2.438 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315695059 IHJQFNBIKDEQJQ-ZYHUDNBSSA-N 447.288 2.114 30 10 IEEE COCCn1cc(C#CC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318054040 VMMFKCLELQWRNR-NRFANRHFSA-N 440.544 2.475 30 10 IEEE CCOc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 2322614641 KGHGISDDNLOWJT-CYBMUJFWSA-N 440.909 2.110 30 10 IEEE O=C1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)cc2)CN1Cc1ccccc1 2325924977 MMKBEYUTBPHWPF-GOSISDBHSA-N 437.525 2.466 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc(C)cc2)cc1 2331004349 NGDMEDBJZPQJPP-UHFFFAOYSA-N 426.494 2.415 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)n1 2337019306 AQQAZQRPBFCGGI-SFHVURJKSA-N 447.385 2.497 30 10 IEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337189919 HOWVTQHRKORRKU-UHFFFAOYSA-N 441.337 2.233 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(Cc2ccccc2)CC1 2337201234 SFUXUAPEUVILEG-UHFFFAOYSA-N 438.381 2.361 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC1(C)C 2337293106 YPCHSYYQWQSUKT-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE CS(=O)(=O)C1(C#CC(=O)[C@@H](O)c2sc(Cl)cc2I)CC1 2367841974 IHZSMNMTUGGUDC-SNVBAGLBSA-N 444.699 2.189 30 10 IEEE Cc1c(C#N)c(NC(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)n(C[C@H]2CCCO2)c1C 10484479 PCKSBGYRCIAGSO-OAHLLOKOSA-N 449.467 2.202 30 10 IEEE C=CCNC(=O)N1CCc2nc(N3CCN(c4ccc(C)cc4)CC3)nc(N(C)C)c2C1 34676810 PAZKDZQXXWFJOX-UHFFFAOYSA-N 435.576 2.431 30 10 IEEE O=C(O)[C@@H](CCS)NS(=O)(=O)c1cc(Br)sc1Br 305936858 KSMYXKCKJUFLPR-SCSAIBSYSA-N 439.172 2.325 30 10 IEEE C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCN1CCO 427420815 MKQRUPMIEFYUQZ-CYBMUJFWSA-N 444.479 2.175 30 10 IEEE N#Cc1ccc(OCCNC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1 438189671 UJKCEVQNGOPWBH-UHFFFAOYSA-N 434.500 2.212 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1sc2c(c1C#N)CCCC2 441197218 HICYXYJTFHWUAU-RGCFKVTRSA-N 445.541 2.252 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 441409570 JJWVZVPTVWDRCW-IBGZPJMESA-N 437.468 2.335 30 10 IEEE Cc1ccc(CC(=O)N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)cc1 462083351 JRPPVYZRCMASNF-UHFFFAOYSA-N 429.484 2.366 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N(C[C@@H](C)C#N)C1CC1 468053413 YRCMABYGIVTEPF-AWEZNQCLSA-N 429.546 2.220 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1Br 468828652 CIJCZULOWOKICY-ZDUSSCGKSA-N 436.331 2.346 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478754668 QHCFFAMHRZGGIA-SFHVURJKSA-N 442.585 2.375 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 481474945 BVYYGNJGGFUYJR-DJKXOVBDSA-N 441.486 2.292 30 10 IEEE C[C@@]1(c2cccc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2)NC(=O)NC1=O 482709755 PFYZECPMALRBAY-QHCPKHFHSA-N 431.496 2.029 30 10 IEEE CNC(=O)C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 483422729 RJTJGDJMEUCTTO-VXKWHMMOSA-N 437.519 2.002 30 10 IEEE CO[C@H](C)c1nc(CN2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cs1 489581077 DZVCUTZBHHPQFU-OAHLLOKOSA-N 435.575 2.322 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 505655240 FDKVNUCHLUNGHO-MOPGFXCFSA-N 426.542 2.262 30 10 IEEE C=CCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508718299 SSZHYABLJGLZER-UHFFFAOYSA-N 432.506 2.151 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 508949314 HCAIMGOPSWAJNO-UHFFFAOYSA-N 434.522 2.338 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 509207611 BPYNNDPSCGFYAE-WBVHZDCISA-N 430.534 2.320 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)c(F)c3)c2=O)cn1 520226666 IPSUMEAXXSIFFH-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCN(c2cccc(C#N)n2)CC1 544882496 YMVGUFCFSDWZML-UHFFFAOYSA-N 429.528 2.194 30 10 IEEE C=CCN(C(=O)c1ncc(Br)cc1Br)[C@@H]1CCS(=O)(=O)C1 546779270 WZEIBLVSXSJIAK-SNVBAGLBSA-N 438.141 2.422 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)OCCOc2ccccc2)sc2c1CCC2 586346275 HOJDLXQJOLHUME-GDLZYMKVSA-N 432.523 2.418 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 593986726 RJJPWAQGDWOLEV-OAHLLOKOSA-N 432.492 2.485 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OC)c(F)c2)c1=O 659576695 FPVHFXKHPUOFMF-UHFFFAOYSA-N 438.480 2.472 30 10 IEEE COC[C@@H](C)N=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1ccnn1C 727972558 WXWIYIRPWOVXOM-ZIAGYGMSSA-N 440.529 2.487 30 10 IEEE CC(=O)Nc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C(F)(F)F)c1 732415830 HRGJICXWZJSACI-NXVVXOECSA-N 425.367 2.312 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 734292249 HQPYTXVBKQSHHV-KRWDZBQOSA-N 429.473 2.363 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(OCCC(=O)NC)CC2)ccc1OC 752960543 DUXCEPBMRHCWMV-QGZVFWFLSA-N 432.521 2.203 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCc2cn3c(n2)SCC3)C1=O 767046977 NFXOEVCPHYGDJZ-MRXNPFEDSA-N 440.554 2.171 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)c12 778498953 JBFPXXBSFGYFRV-UHFFFAOYSA-N 426.498 2.259 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(Cc4ccc(O[C@@H](C)C#N)cc4)CC3)C2=O)n(C)n1 780789935 NVGIPGRCCSHSPW-SIKLNZKXSA-N 436.560 2.333 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)n1 789166771 RTCPPRYPFFBMFI-IBGZPJMESA-N 447.898 2.272 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(Br)cn1 789967189 DHSNCXZYLZFUBD-NSHDSACASA-N 436.339 2.320 30 10 IEEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)S2(=O)=O 790040911 XGPKGUJIIXYFFW-UHFFFAOYSA-N 435.845 2.012 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCSC2)c1 790284411 DGPMQJQABDTNLV-IEBWSBKVSA-N 444.626 2.420 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)ccc1F 791148900 OIMWFGAABXEVGQ-GOSISDBHSA-N 434.489 2.210 30 10 IEEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)c1 794612118 SUVJFHXKEAOQQQ-MRXNPFEDSA-N 438.480 2.438 30 10 IEEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1=S 795653816 GWUSUYVQIIVEAE-KRWDZBQOSA-N 436.607 2.365 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 804457534 YXNRZMUYBUKKNI-SFHVURJKSA-N 432.567 2.062 30 10 IEEE COc1cc(CNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1C#N 810868558 SQJFLAQUDGFGRR-KRWDZBQOSA-N 430.505 2.089 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 917921068 OBSRCSXQCPKISW-UHFFFAOYSA-N 439.415 2.428 30 10 IEEE CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 920751156 DBYYLMCFYPWJIA-QGZVFWFLSA-N 427.530 2.027 30 10 IEEE Nn1c(NN=Cc2ccccc2F)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084562029 BPVZFIWAADZEIU-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE CC1(C)Cc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2O1 1136149344 GUDIMNVEGCWFBR-UHFFFAOYSA-N 425.510 2.418 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)OC 1141995062 HGWZQLOHIBCHNI-CYBMUJFWSA-N 426.903 2.497 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NN1C(=O)c2ccc(Br)cc2C1=O 1143524486 HCDBSKXKBJXKPH-UHFFFAOYSA-N 443.257 2.298 30 10 IEEE C[C@@H]1CN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCO1 1154162348 LFPRNCITJNUMSB-VITVIVDCSA-N 434.581 2.390 30 10 IEEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(OCC)cc3)ccc2C)C1 1179982554 OBGZRFMEEFDBII-UHFFFAOYSA-N 428.510 2.039 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)N3CCC(N4CCCS4(=O)=O)CC3)n2)c(Cl)c1 1216105687 ADTAGUUHFQKIDP-UHFFFAOYSA-N 448.936 2.429 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1286414882 FEKSCDUDCOLHDP-HDICACEKSA-N 442.564 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(CC)CC 1286424247 AOJWBMBITWTWNY-LJQANCHMSA-N 431.548 2.114 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(C)c2)CC1 1286470372 YEYSKPVUFGXMFI-UHFFFAOYSA-N 433.491 2.176 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC(F)F)CC1 1286492462 GCCBDYTWIQIGPL-MRXNPFEDSA-N 425.480 2.115 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1286500589 ZECHXHSSYSJJFU-INIZCTEOSA-N 429.546 2.030 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1286648039 BLPKBJQJYAGSLA-UHFFFAOYSA-N 449.577 2.350 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CC)C1 1286807911 HIIJZNRXUZEULF-IERDGZPVSA-N 448.593 2.181 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC1 1286919052 WVEIIIOACUTTLH-UHFFFAOYSA-N 449.559 2.228 30 10 IEEE CCc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1292883327 IEGDKVTZEWDYKH-UAFUQJIBSA-N 440.504 2.146 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)c1 1299010021 PIZCJOSGPMCXAB-UHFFFAOYSA-N 438.546 2.162 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1300302718 DCGOJDLFCFZJIT-FXAWDEMLSA-N 449.559 2.409 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Cn2ccnc2)c1 1300432952 STIHHIAZLWHLCE-UHFFFAOYSA-N 426.484 2.288 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300496091 NZSMBIYANRCQMM-PMACEKPBSA-N 442.585 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300539115 YIHNKZBSPQRJNM-OALUTQOASA-N 425.556 2.286 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300635876 ZSJWTJBDVDNABH-IBGZPJMESA-N 437.523 2.083 30 10 IEEE COc1ncccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1300711976 HHQGYDMYTZECQF-HXUWFJFHSA-N 441.492 2.163 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1300778129 NDVJUAZJICDDKN-WMLDXEAASA-N 434.484 2.064 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300993590 CPFSEDPVVZGHAC-OAQYLSRUSA-N 426.565 2.158 30 10 IEEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301611661 PPEKAVCVLXYEPR-OAHLLOKOSA-N 432.598 2.318 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(O)cc1 1301806544 KEQLGFQUGUQPGP-UHFFFAOYSA-N 438.488 2.321 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1302873765 FQALCAPQTYQROQ-GOSISDBHSA-N 439.415 2.459 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CC1 1303000193 BVFSFYIMMRPEAJ-OAHLLOKOSA-N 447.341 2.018 30 10 IEEE Cc1c(C#N)c(NC(=O)CN[C@H]2C(=O)NCC23CCOCC3)n(C2CCCCC2)c1C 1308108600 JATMQFSLSPFICB-FQEVSTJZSA-N 427.549 2.305 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)c1 1315561297 VHSUZRMQXDWXPE-FQEVSTJZSA-N 432.550 2.023 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1316168172 BIZSGYQCDKJWHV-OALUTQOASA-N 434.585 2.100 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1nccn1C 1354514665 BGZNBIDMKXXDJJ-SFTDATJTSA-N 446.467 2.406 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)C)c1 1358902216 HQQIXJFSPUTFOU-GOSISDBHSA-N 443.573 2.283 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1358967593 NPLQTRNUBPYJLU-GOSISDBHSA-N 448.614 2.406 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1358970058 DKBRRBAVJBESCD-GOTSBHOMSA-N 426.492 2.050 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1359021979 ITJGUYMTHUXAPB-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1359037584 PABNMIKMLKHTCM-UHFFFAOYSA-N 425.533 2.060 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359041056 MGAMUBRTPPTYIL-PKOBYXMFSA-N 428.581 2.016 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1359055514 GOCBNFXZYXQVBN-MRXNPFEDSA-N 429.546 2.249 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1359144308 DZRYHFBWOSJNGZ-SFHVURJKSA-N 438.916 2.390 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359228632 IVWSOFPEQKLPRM-QHCPKHFHSA-N 425.533 2.329 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)[C@H]1c1nccn1C 1435809787 PIWHQPJMJGZPEG-PVAVHDDUSA-N 436.299 2.396 30 10 IEEE COc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1S(C)(=O)=O 1436783999 KHQPIPNGGLEQEK-UHFFFAOYSA-N 436.511 2.428 30 10 IEEE CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1441025510 CJSJGQFLJAENPH-UHFFFAOYSA-N 429.473 2.287 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)C1 1443207850 MXYXNRIRRAWXQD-HNNXBMFYSA-N 439.313 2.448 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1 1444812295 MKERXNJBXQTAAX-MDYRTPRTSA-N 441.484 2.010 30 10 IEEE CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1454225312 ZCHOEYUYFMJSOV-UHFFFAOYSA-N 432.484 2.007 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN[C@H](c4ccc(F)cc4)C3)C2=O)cc1 1455439646 CBUVLTQFVVBVHV-UXHICEINSA-N 435.459 2.075 30 10 IEEE C#CCN(CC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)C(=O)OC(C)(C)C 1465266684 VAJLZHBJCHSVHA-UHFFFAOYSA-N 444.576 2.146 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(F)(F)n3cc(-c4ccccc4)nn3)C2=O)cc1 1467705402 CMTOSHOFLGWTIJ-SFHVURJKSA-N 436.422 2.283 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 1470021178 WFNFRIHTOHFDEJ-HNNXBMFYSA-N 435.571 2.159 30 10 IEEE CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1473784191 OLDPBULWSZBXNE-ZWKOTPCHSA-N 426.435 2.264 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CCOCC1 1479008647 WBAPESHSUBCMAF-KBXCAEBGSA-N 427.314 2.467 30 10 IEEE COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)N(C)C)c1 1504323977 GANUPBZQTBSKIB-HXUWFJFHSA-N 439.564 2.468 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C1 1505316338 WNGNMBKQQKMTFA-KPZWWZAWSA-N 426.349 2.276 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCOC[C@@H]2C)CC1 1507718397 PEFKCFGGPHNWHQ-SFHVURJKSA-N 428.968 2.074 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCOC(C)(C)C2)CC1 1507720679 IIVRNMKPANTIFI-UHFFFAOYSA-N 436.604 2.374 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1507722553 ZRJJGSUGJADEMP-HSZRJFAPSA-N 436.604 2.448 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507756061 FSPWFYOMIFOSER-MRXNPFEDSA-N 431.537 2.325 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1507816985 LZSPLGYYZQJEMC-UHFFFAOYSA-N 435.532 2.392 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507837370 NHXWWZZYSMZDDS-MGPQQGTHSA-N 439.504 2.116 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccc(F)cc2)C1 1508132366 UCSXCPUVPQQYOV-CVDCTZTESA-N 443.523 2.229 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC2CCOCC2)CCOC1 1516160803 GMRXCTISQZPMFW-JOCHJYFZSA-N 433.553 2.256 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1516835290 RKGRBHOITYVJNE-ROUUACIJSA-N 428.562 2.238 30 10 IEEE CN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1517154200 DMVNRKJROKAZID-MRCUWXFGSA-N 449.540 2.488 30 10 IEEE C#CC[C@@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1517930043 PFDCOKDDROQSQO-SBUREZEXSA-N 438.532 2.178 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCOC2)cc(OC)c1OC 1517973835 JQYTZWBLMVNXLL-WBVHZDCISA-N 443.504 2.126 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539216184 OSYOATCZYDUEQX-IBGZPJMESA-N 443.573 2.316 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1539345611 WNAVWEKYVOSIMU-XMMPIXPASA-N 445.608 2.423 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1539539767 YMFSURRZBNANFE-DYESRHJHSA-N 431.562 2.268 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1539633279 XWVBLFXZIQIGPE-RDGPPVDQSA-N 438.594 2.024 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539752653 VGQZWACKXYFBKM-OAQYLSRUSA-N 426.565 2.015 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1)c1ccccc1 1539766181 PIBLGUBGDVZSFA-UYAOXDASSA-N 444.605 2.276 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOC(C)(C)[C@@H]1C 1540903677 FHHMOIYFPIOWKF-KRWDZBQOSA-N 448.589 2.482 30 10 IEEE Cc1nccnc1CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1542986095 XZTRIYIJGPCQJT-QFIPXVFZSA-N 425.537 2.400 30 10 IEEE Cc1c(C(=O)NCCNc2ncccc2C#N)nnn1-c1ccccc1Br 1544055317 IXVWVLJXSAOVSE-UHFFFAOYSA-N 426.278 2.447 30 10 IEEE COc1cccc(C(=O)NCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1544703076 VPIGVUMZZGHPSQ-UHFFFAOYSA-N 429.517 2.192 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1545094313 RUBAMNZGRNIMTN-JFIYKMOQSA-N 445.955 2.222 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1548313496 ANGUNNZVRCRPIH-UHFFFAOYSA-N 441.355 2.210 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(F)c1 1555663783 NKPBLIGQCKFETG-UZLBHIALSA-N 428.512 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2csc(I)n2)C1 1556132578 OVVBWFPSCNPRKD-DTWKUNHWSA-N 448.286 2.237 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C(=O)OC)C2CCCCC2)ccc1F 1557853991 DNFNFLSFPUADQO-INIZCTEOSA-N 426.510 2.389 30 10 IEEE N[C@](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)(c1cccc(F)c1)C(F)(F)F 1559032805 JJANBGRQAFMGPR-IBGZPJMESA-N 439.365 2.446 30 10 IEEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1561197076 NIGXGDMIWDUUKJ-SFHVURJKSA-N 426.510 2.227 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 1561572741 SGMWCSCZHVRBEY-HZPDHXFCSA-N 427.526 2.247 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOc2ccc(C(F)(F)F)cn2)s1 1566390057 RSYBHUZPYYBRAO-UHFFFAOYSA-N 449.476 2.364 30 10 IEEE N#C[C@]1(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCc2ccccc2C1 1567743843 OSJNXOAJHKNTPK-SFHVURJKSA-N 434.315 2.278 30 10 IEEE C[C@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)CO)/N=C1/NS(=O)(=O)c2ccccc21 1568637782 CJMLZRHRKRHEPL-QRWLVFNGSA-N 429.542 2.380 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCC[C@H]1CO 1587652051 UAEULDCUPFNCKQ-CTNGQTDRSA-N 435.576 2.211 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 1587803616 HWQFKNVBNRHAPM-UHFFFAOYSA-N 434.479 2.200 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588039707 CMGHJBBFRQAVGT-AVRDEDQJSA-N 444.557 2.150 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1588292844 DEXMIDXHPQMZSO-UHFFFAOYSA-N 431.544 2.117 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1588459161 NHRCZZHGHDCKDA-FSNCLGKMSA-N 433.553 2.048 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOC(C)(C)C2)CC1 1588780152 IQAZUGJBCGFWLP-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccccc2)CC1 1588923548 DGIUSOMZDPTRQN-UHFFFAOYSA-N 431.544 2.277 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1593884167 DEMBJFZPYTZJKZ-QWHCGFSZSA-N 442.891 2.480 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1594784353 XTCSYLRCACUKCF-SFHVURJKSA-N 430.557 2.059 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595476875 OLUCGPLYHNXHLP-JPYJTQIMSA-N 438.532 2.153 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1595529879 KTDOZKCXFWKKDT-UHFFFAOYSA-N 435.532 2.177 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595530241 XQLZVBDLBGOELM-QGZVFWFLSA-N 449.559 2.422 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CCc1cccc(C#N)c1 1595748867 XBPSWPIMGKTURZ-UHFFFAOYSA-N 427.526 2.202 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1618543496 CNKXHJRYVWIWEO-OAHLLOKOSA-N 446.515 2.037 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C 1619968341 GQMRWKPKEWDJTI-YVHKJVDXSA-N 429.521 2.050 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCCS2)cc1 1620351837 HBHCTLZWKIFOCN-SJLPKXTDSA-N 426.546 2.326 30 10 IEEE N#C[C@]1(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CCCOC1 1625244267 GIHLEWORPXVAJN-OAQYLSRUSA-N 431.489 2.241 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 1625314972 QKJCPHFSKLZDEO-UHFFFAOYSA-N 439.537 2.404 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 1635079119 OCADFZYMDOTVSS-KFWWJZLASA-N 437.990 2.247 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1641663043 ZXYSRASHHFHJJS-UHFFFAOYSA-N 425.510 2.458 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCc3c(O)nn(C)c3C2)cc1 1655335750 NWIQGOVEMPMMTR-UHFFFAOYSA-N 434.500 2.410 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@H](NC(=O)OC(C)(C)C)C3)CC1 1655415724 MNKQHYPZIIFGNY-YRPNKDGESA-N 433.597 2.056 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2S(C)(=O)=O)cc1 1667956160 JVQLOZQDRKQYMU-UHFFFAOYSA-N 437.543 2.218 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCc3c(CC#N)cccc3C2)c(C)s1 1685781620 UUIMEBOEDWYFOQ-UHFFFAOYSA-N 432.571 2.477 30 10 IEEE CCC1(N2CCOCC2)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1686056563 ZPXFUORQIJSATD-ROUUACIJSA-N 435.569 2.032 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn2ccsc2n1 1689861638 YIYQBWXHARTCLR-CYBMUJFWSA-N 425.543 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1689864738 HKVISHQFQTUPSO-GOSISDBHSA-N 425.533 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2nsnc2c1 1690031585 PMEKRQONEAHXHZ-UHFFFAOYSA-N 442.508 2.441 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H](O)C1 1690072832 WAAUEQRFYACZSH-DLBZAZTESA-N 430.578 2.249 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1690137155 OTDRHMCFXWXUNM-UHFFFAOYSA-N 446.559 2.305 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690175580 ZXFCWTLRWYDJKO-MSOLQXFVSA-N 427.578 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1690205956 CSWIZEYMYHICAJ-CNNODRBYSA-N 433.622 2.294 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1690229705 DEXKWVLKEQRKFN-UHFFFAOYSA-N 446.357 2.150 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1690247373 AAKVRYGWLDMHFR-NQIIRXRSSA-N 446.573 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690722513 MAYGBERUUCUKDJ-SFHVURJKSA-N 431.562 2.072 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2ccco2)N(C)C)cs1 1693360991 JQDMKJPNZCEZMI-IRXDYDNUSA-N 427.534 2.259 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCc1ccco1 1694119937 FHWSGDSYZFWZLT-QGZVFWFLSA-N 448.531 2.294 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCO1 1698153557 ODJNXLTYMKVXGQ-CRAIPNDOSA-N 442.520 2.106 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1698304121 JXVRSPKUQLPDLL-IBGZPJMESA-N 443.573 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1705492573 SPAPSGUCQCYKFQ-FUHWJXTLSA-N 432.569 2.377 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 1705559732 FGEMOIYRRFXKCW-HNNXBMFYSA-N 430.559 2.081 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705663607 NPGWROSUMWTBMC-NRFANRHFSA-N 425.602 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705707600 NZRZVXDUKFEGJA-QMHWCDLVSA-N 447.580 2.016 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705725177 MZBSMKHAEACBNP-RBUKOAKNSA-N 430.597 2.318 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705817650 PCCOKSXXJNUHJV-GOSISDBHSA-N 443.552 2.195 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705829533 UKUHULCBEASIPG-UHFFFAOYSA-N 432.569 2.103 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCC(=O)N1 1706139946 BCDCSFDVDJAJLO-MRXNPFEDSA-N 439.539 2.483 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1706647913 CDRYPNJBAGQJMB-MRXNPFEDSA-N 426.521 2.257 30 10 IEEE CCCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1709607571 NPKKDAZMBQYJGX-HXUWFJFHSA-N 438.580 2.107 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCSC1 1711045534 DSBNNSNRHKQHMX-PKOBYXMFSA-N 429.546 2.476 30 10 IEEE COC[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712141080 IZHOWCVUBDITSP-HKUYNNGSSA-N 425.537 2.048 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1722276024 GWJZRDAKFDUFAQ-OLZOCXBDSA-N 434.547 2.111 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCOCC1 1722421492 RAUSXBCCPBIREQ-UHFFFAOYSA-N 449.349 2.335 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCC[C@@H](C)C2)CC1 1722434273 OJVGXMNMGRTENG-LJQANCHMSA-N 437.548 2.340 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722555230 YSYCIMHEPYGGSO-AEFFLSMTSA-N 449.987 2.260 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc(Br)cn2)C1 1722719693 YQTAHRXGXQHJOQ-GDBMZVCRSA-N 437.342 2.223 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1coc(-c2ccccc2)n1 1722862490 BYWUVBVARIXCSD-GJZGRUSLSA-N 443.533 2.187 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1726821406 CSQCITALXZAKGC-FYSMJZIKSA-N 447.543 2.270 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1729170264 VWHAUQARGYORKN-UHFFFAOYSA-N 435.576 2.237 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1729647987 HTHHSEWWWWHJHF-QFIPXVFZSA-N 435.488 2.036 30 10 IEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)(C)C 1729875931 FSUUIQGETXCVSG-VQTJNVASSA-N 440.548 2.219 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN1S(C)(=O)=O 1740608225 COUQPDQHZPJOLR-QGZVFWFLSA-N 440.529 2.094 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CCCC1 1740634876 HOBVEIVQCUMHAV-UHFFFAOYSA-N 426.542 2.384 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)COCCO1 1740675486 DINOUHSGCGXWBS-JOCHJYFZSA-N 429.496 2.001 30 10 IEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)OC)CC1 1740696624 ZCQOOVXPSKNXES-SFHVURJKSA-N 446.596 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740767914 RXSQEYYXUIZJMK-KNQAVFIVSA-N 437.548 2.389 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740863818 GYACIAVSZYQMJL-ZWKOTPCHSA-N 437.610 2.279 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740874222 PNGBSHGYDPHFHX-GOSISDBHSA-N 426.496 2.297 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)O1 1744218680 LNNLAOATENREPX-GCKMJXCFSA-N 444.561 2.346 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1747396018 OEKZQENSAXOIOD-QFBILLFUSA-N 429.546 2.421 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1748766403 PCAKQPHGQMBNRH-KBPBESRZSA-N 425.942 2.079 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(N2CCOCC2)CC(OCC)C1 1748779507 MTGYVKDYVFLYJU-UHFFFAOYSA-N 444.967 2.333 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748844106 OPFSXCVSYTYEIX-MOPGFXCFSA-N 434.548 2.093 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C1CC1 1748945330 QQERCZQZANMASJ-ICSRJNTNSA-N 446.548 2.384 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(CC)s1 1748945749 YZQWNXLCCUXVLA-INIZCTEOSA-N 439.520 2.470 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1749049221 ZLNXGTOHLZCTOT-UHFFFAOYSA-N 431.537 2.421 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1749162536 PDQQFHBBCUEIAS-HXUWFJFHSA-N 438.981 2.474 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749222233 DKVUHFLOMIQUMX-IAGOWNOFSA-N 448.593 2.445 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749230278 WGTFGRJGJAFNGR-QFBILLFUSA-N 448.545 2.007 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1749600333 WELVHJMUBYAPRL-UHFFFAOYSA-N 436.553 2.472 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749658805 PMZIRJDGFLUAPQ-SFHVURJKSA-N 438.536 2.274 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)[C@@H](C)C1 1749877282 SCEJFFSFLRXEOJ-FXAWDEMLSA-N 438.532 2.212 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1751089352 FZPKTZNGDORZJH-DRSNIGMVSA-N 439.520 2.392 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1751597034 HTBDASOVJUIILJ-LJQANCHMSA-N 431.500 2.248 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1760143308 BYHDEVNTROEZRP-LAUBAEHRSA-N 430.509 2.003 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2sccc2c1 1760194015 BBQDDEGHMOPHDE-OAHLLOKOSA-N 427.555 2.224 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@@H](F)C2)CC1 1760265492 CIIMDYWPXSKMNL-GWJPWWOOSA-N 447.555 2.034 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(CCC)C(=O)C1 1760301820 LDRSTMZFELJDHF-HNNXBMFYSA-N 444.374 2.359 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](OC)C1 1760326523 XBVZKMXYHBTRMG-FCEWJHQRSA-N 431.562 2.476 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760452996 UJXMCLASOQLCCG-ICSRJNTNSA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](COCC)C1 1760515324 MDMCGXPABWWIDK-CYBMUJFWSA-N 437.342 2.201 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCOCC2)C1 1760558891 DTCLPHDVAWTGKX-UHFFFAOYSA-N 425.624 2.438 30 10 IEEE CCCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1764214816 MVSQBFUHAAUGHS-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE CCCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1764221553 OQXAAUKQYWVYBE-IBGZPJMESA-N 425.537 2.192 30 10 IEEE CC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765122503 HFUFZMVGNTWBEQ-NFFVOIMASA-N 435.532 2.417 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1771491177 YFEHHYDEADMSNN-ATZDWAIDSA-N 429.546 2.255 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2CCCO)C1 1771529490 OUIZZACPUDXQRQ-OPAMFIHVSA-N 448.493 2.436 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C)C1=O 1849512867 KAQFNBMNCPRFOA-WOJBJXKFSA-N 447.601 2.383 30 10 IEEE CCN1CCN(CCNC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CC1 1851900672 UQEQHOKWQRNPBT-XMMPIXPASA-N 445.567 2.399 30 10 IEEE CCOc1ccc(N2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851942340 FISVNGDCTLIVFU-GFCCVEGCSA-N 447.435 2.309 30 10 IEEE N#Cc1cnn(-c2cccc(Cl)n2)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1852069221 RLXIVIQHSKDQGX-JKSUJKDBSA-N 440.891 2.172 30 10 IEEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@@H]2C)c1 1854143087 XVZQDIIOLZIGBJ-KRWDZBQOSA-N 425.510 2.378 30 10 IEEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2)CC1 1855906364 OFLMHTJUWSGDMZ-SJORKVTESA-N 428.920 2.304 30 10 IEEE CCN(CC)C(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858444459 MUABSBNSSNKXQI-UHFFFAOYSA-N 442.545 2.338 30 10 IEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861775086 TZWGWMZGZQBNJA-GOSISDBHSA-N 439.965 2.421 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862445074 NOIQZZMXHPTMKD-GOSISDBHSA-N 430.844 2.466 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)cc1O 1862754785 RXOCXWRFBITNHT-GOSISDBHSA-N 428.397 2.270 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868795354 KIHUPSGOEUTSQO-VQTJNVASSA-N 445.633 2.472 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)CCOc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004603 FRQSZKGLCFCHEI-KRWDZBQOSA-N 445.545 2.224 30 10 IEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870149546 LHFLZOUIICOPRY-INIZCTEOSA-N 446.467 2.143 30 10 IEEE N#Cc1ccc(COc2cn(CCc3cnc[nH]3)c(CN3CCC(O)CC3)cc2=O)cc1 1870349658 XIWIBCQLVOFPKB-UHFFFAOYSA-N 433.512 2.221 30 10 IEEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870419056 MHWFNFAXJLNCIE-UHFFFAOYSA-N 449.548 2.421 30 10 IEEE C=CCn1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc2c(N3CC(O)C3)ncnc21 1873595023 MEMSMJQAZFEZGZ-JOCHJYFZSA-N 446.555 2.365 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874335876 AEEYXSVMMUXCPI-UMXKZIAQSA-N 446.489 2.058 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874447748 LPTGTGHIZMWIBM-HYLGSWLWSA-N 449.533 2.353 30 10 IEEE N#CCCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1888626939 RCSCKPBYFFWUFE-IBGZPJMESA-N 428.466 2.307 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c(F)c(F)c3F)CC2)CC1 1890584905 NQYPBVGGPYISQO-UHFFFAOYSA-N 427.442 2.115 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010227359 NDJCHCBEROYRLE-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE C#CC[C@H](NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(=O)O 2237409138 DWFNIRXXDHNDIQ-GJZGRUSLSA-N 439.306 2.478 30 10 IEEE CON(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2255873018 AFJNZDSIFIAMGT-UHFFFAOYSA-N 433.314 2.004 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267137551 ROSNYYKVDWFJOP-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267147804 XMQOSXKTGJUQTI-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2267154032 FQOPRHIYMVNVAJ-GJZGRUSLSA-N 448.373 2.093 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCCN1C(=O)OC(C)(C)C 2267188249 JTJSUEGIYAADAK-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267243714 ZMVNWIXTIZUNJV-ROUUACIJSA-N 446.353 2.316 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517049 MTUDWYPEHAQFSW-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267591885 JJCOONIREJYFMQ-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267592836 PCTDQAOLUKDLAP-ZWKOTPCHSA-N 446.353 2.316 30 10 IEEE Cc1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267600966 OJXMLJMEFYHIQW-SJORKVTESA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267870131 AMKWBYBSKPZUJB-CQSZACIVSA-N 446.357 2.151 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268636473 DFQOGZJVVGMBFJ-HZPDHXFCSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268640511 XJNWJHNXMSTJHF-PBHICJAKSA-N 447.341 2.249 30 10 IEEE CO[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2268646800 VHGWDABTBSRLCY-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268671470 LTQUYOPTGJQJMD-GOSISDBHSA-N 446.353 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](N)C#Cc1ccc(Br)cc1 2313875363 TZPDJKBUNIBBQI-HUUCEWRRSA-N 431.352 2.066 30 10 IEEE C[C@H](O)Cn1c(NN=CC(Br)=Cc2ccccc2)nc2c1c(O)nc(=O)n2C 2328610386 OTZOAMPFKUHQER-NSHDSACASA-N 447.293 2.050 30 10 IEEE Cc1cccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)c1C 2328835848 AXLXQYIHTAWGEB-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574473 IKGZPZIJWQSMOQ-UHFFFAOYSA-N 449.357 2.386 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)cc1 20910525 RIAFRQXXYUZIPF-LSHDLFTRSA-N 442.549 2.488 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 263631836 YZWCKPQXDRTWHX-CRAIPNDOSA-N 430.507 2.259 30 10 IEEE CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 428414875 WVWZFXFQYMDZJI-INIZCTEOSA-N 427.404 2.425 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)n2)cc1 436450607 JBRAGLQSEQSLKE-FCHUYYIVSA-N 436.475 2.962 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)cc1 436747226 LRLKTMWZUZPZSK-UHFFFAOYSA-N 425.510 2.289 30 10 IEEE Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2)n(C)n1 443937650 NBBHMUPRDUYNFA-OAHLLOKOSA-N 438.351 2.310 30 10 IEEE Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1S(=O)(=O)NCC#N 475547458 LQKRLOVHXNVCJJ-HXUWFJFHSA-N 426.542 2.143 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 502471767 HKFUMLYLSVNWQX-UHFFFAOYSA-N 431.473 2.326 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)cc(OC)c1OC 505501733 SNTBJLGTYTWSSQ-QFBILLFUSA-N 426.473 2.243 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 508841871 UVXUGRRROYGRMP-UHFFFAOYSA-N 448.574 2.118 30 10 IEEE N#Cc1ccc2ncc(CNc3cccc(S(=O)(=O)N4CCC(CO)CC4)c3)n2c1 512648997 SIGJWNXJJSHBET-UHFFFAOYSA-N 425.514 2.211 30 10 IEEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cn2)C[C@@H](C)O1 513484641 LVAHAPNNWWRRQP-HUUCEWRRSA-N 425.464 2.200 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 549691302 BSJYHSQIDVFFCY-DENIHFKCSA-N 436.520 2.271 30 10 IEEE CCCCNC(=O)c1c(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)nc(C)n1C 576069599 UAXDOPFCMGTSCO-UHFFFAOYSA-N 427.509 2.282 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)N2CCc3ccccc3C2)cc1 609736340 GYRFIFYXQREXCB-FQEVSTJZSA-N 449.536 2.166 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)cs1 655142322 IHCNGXVHAGPSLQ-KRWDZBQOSA-N 437.546 2.240 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(=O)COC)CC1 670195595 OJYGAVMRDICSEQ-UHFFFAOYSA-N 429.521 2.270 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727415064 HPTUUFJIZGPAFR-UHFFFAOYSA-N 441.459 2.332 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1ccccc1 729537611 IHMUGXXLCKTBEG-SFHVURJKSA-N 429.542 2.005 30 10 IEEE CSc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)cc1 734293395 ULXACJBOTDSFHJ-OAHLLOKOSA-N 429.523 2.447 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cc2)C[C@@H](C)O1 742398078 ZODCNPWPSIBUAD-GASCZTMLSA-N 428.514 2.067 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCSc2nc3ccccc3c(=O)n2CCCO)c1 753910217 HOCDQQZCKFFZTL-UHFFFAOYSA-N 429.523 2.217 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1OC 756944875 QUTIFENMWXNUGN-IBGZPJMESA-N 444.575 2.171 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 759946129 IHVJMERRJOBKEZ-FPDPHYFHSA-N 426.542 2.065 30 10 IEEE COc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c(NS(=O)(=O)C(F)F)c1 769647328 JHDKIBABYDZMKS-UHFFFAOYSA-N 449.432 2.149 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(C#N)cn1CCOC 776815697 VGJJCYKBVYOXSI-INIZCTEOSA-N 438.484 2.483 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)c2)o1 781598799 DBRHFQVYIXUBIB-UHFFFAOYSA-N 430.417 2.055 30 10 IEEE COC(=O)C1=C(C(=O)c2ccncc2)[C@H](c2cc(-n3ccnc3)cs2)NC(=S)N1 783941345 VVZMWAPKONZIBB-HNNXBMFYSA-N 425.495 2.158 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CC(N3CCCCC3)C2)C1=O 794441105 MGPHUHZQMBZXQI-DOKXBTNQSA-N 429.590 2.077 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1C#N 804070897 DKJVSNVLCYMFBX-UHFFFAOYSA-N 443.463 2.147 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)OCCO4)n2C[C@@H]2CCOC2)cc1 812402842 XNCIGBIMQOILNS-SFHVURJKSA-N 425.489 2.109 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 815090477 QKJNVEYTRNCTBE-MSOLQXFVSA-N 444.598 2.205 30 10 IEEE CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 915927535 WMYMBEJRAGSOEY-UHFFFAOYSA-N 435.550 2.130 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)s1 917769159 ZXGJMFPGCLZBGQ-INIZCTEOSA-N 437.546 2.240 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCCc1ccccc1Cl 1084265586 YIDATFSQYLUWJY-UHFFFAOYSA-N 445.936 2.248 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cc[nH]n1 1136695906 RETCRZCANISEKI-AWEZNQCLSA-N 434.424 2.029 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)CC1 1140634188 WCCXWYXLGMOXAJ-UHFFFAOYSA-N 441.488 2.278 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 1141323844 MLICSWAHKPEZIB-QGZVFWFLSA-N 445.520 2.215 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc3ccc(Br)cc3o2)cc1 1143888512 LWNUBBSCBAUYCV-UHFFFAOYSA-N 448.298 2.432 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2cc(I)ccc2N)CC1 1160050426 CPEYWPHSRJMMER-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1171919765 IPOAGLCSEWQMLE-UHFFFAOYSA-N 437.424 2.294 30 10 IEEE COc1cc(C#N)ccc1OC(=O)c1ccc(I)cc1-n1cnnn1 1264132302 NWPJBRPFFVDGCO-UHFFFAOYSA-N 447.192 2.366 30 10 IEEE N#CCCN(C(=O)CCC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21)c1ccccc1 1280309781 GTZNHBUFKRHSLH-FQEVSTJZSA-N 425.510 2.499 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286318740 AONBVILNVUSZGN-QGZVFWFLSA-N 448.531 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1Cc1ccc(N2CCOCC2)nc1 1286413108 QDJLATCKRHDNAC-UHFFFAOYSA-N 440.551 2.416 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCC[C@@H]1NC(=O)NC1=O 1286454697 NYKXOXCDQHGUAU-SFHVURJKSA-N 449.490 2.051 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSCC1 1286503580 CDPBOEZORPNXNR-UHFFFAOYSA-N 426.571 2.112 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286671182 SVIDXYVHYFPERN-MRXNPFEDSA-N 433.582 2.103 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)COCCO1 1286742023 GLXDINSZKYKYMR-HSZRJFAPSA-N 438.532 2.286 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286789850 YAGFDQKWZDRFNK-RBUKOAKNSA-N 425.533 2.043 30 10 IEEE C[C@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1)C1CC1 1288896048 HIVRWIYYTRXBJY-NRFANRHFSA-N 429.546 2.250 30 10 IEEE Cc1nc(SC2CCCC2)sc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289205132 MUPSZTBTGFKJSC-UGSOOPFHSA-N 425.601 2.426 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cnn(C)c1 1300385792 FXDPSISMWUTLEV-UHFFFAOYSA-N 440.577 2.330 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300392286 QNDOILJCZZQZCH-KRWDZBQOSA-N 441.923 2.174 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1300455711 PXNQXYZWWLRTBA-UHFFFAOYSA-N 442.527 2.254 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300485004 SVILMOKFSNXUJL-ZWKOTPCHSA-N 438.594 2.004 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300630391 SCURDAQWXJJDAA-WOJBJXKFSA-N 435.576 2.475 30 10 IEEE C[C@H](C(=O)N1CCC(c2ccc(C#N)cn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1301181755 LZRLNXGVDXOWIT-MRXNPFEDSA-N 441.532 2.127 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301462757 DATSFJUJCBWMJJ-MRXNPFEDSA-N 443.621 2.389 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccco2)C1 1301579527 URTKDAAKASFWLP-GOSISDBHSA-N 431.518 2.055 30 10 IEEE C=CCN(C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F)[C@H]1CCS(=O)(=O)C1 1310752607 HJIFEHZYXVLTFS-AWEZNQCLSA-N 433.527 2.184 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1314164351 QKKWGRRIDVTAND-BPQIPLTHSA-N 429.521 2.488 30 10 IEEE CCSCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1314617020 SDMWLHHRWJOSHL-DLBZAZTESA-N 442.593 2.302 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(Cl)c1 1316208305 CCRILOGEWJIYBN-GDBMZVCRSA-N 435.912 2.441 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1316337341 BLQKJSTVSWFORZ-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)CC1 1316535245 HDRWSQJCMIOADJ-IBGZPJMESA-N 429.546 2.137 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC=CCC1 1316568868 ZQJQTZZKHCNBAC-HTXNQAPBSA-N 425.880 2.286 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H]2CCOC2)C1 1340088732 JFSGVQXOJWPCES-IAGOWNOFSA-N 436.516 2.010 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CCOC)CCC1 1358976860 UORCSOOBIIPQRZ-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC=CO1 1358981212 AZBPJMGVXKBZIQ-DEOSSOPVSA-N 444.583 2.408 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Sc1ccccc1 1359024492 OFTMQCTUJKKUFL-MSOLQXFVSA-N 448.614 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(F)cn2)CC1 1359046579 XPHSOWWUQOSQJZ-UHFFFAOYSA-N 438.532 2.479 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359078655 KCNNYDBLIUARRR-LBPRGKRZSA-N 435.282 2.429 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359130464 KUTCZJHVGIYPEZ-INIZCTEOSA-N 437.541 2.147 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C(N)=O)CCOCC2)CC1 1359162516 UBGHIXWHDSDGNN-UHFFFAOYSA-N 441.532 2.401 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359240051 DYZRYKQPLQXJOF-HUUCEWRRSA-N 427.571 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359331948 LBNRWYFPDHJJQU-RTBURBONSA-N 437.610 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1359332002 MIDNYRVGLZVYCJ-UHFFFAOYSA-N 431.562 2.179 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCc2ccccc21 1360680703 HJFUJMJAKPDPEU-YYFZDKIDSA-N 432.525 2.060 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)s1 1437793739 UPFINNXWFNMNFG-SCRDCRAPSA-N 437.008 2.109 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1446434885 BNCCFTWFKWJMOR-WRNSQDIPSA-N 446.592 2.483 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C[C@H](O)CC2(C#N)CC2)C1 1459778856 JBFXMWIQGLOKKZ-IPMKNSEASA-N 434.581 2.269 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(NC(=O)c4cc(C)on4)CC3)n[nH]2)c1C 1464505214 XZQWWJFIBVYKIP-UHFFFAOYSA-N 437.504 2.407 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(CNC(=O)NCC)cc2)ccc1F 1465552288 JKXUIQDHICETNZ-UHFFFAOYSA-N 434.493 2.361 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)nc(C)n2C(CO)CO 1468042750 ZCSBJXZKIQNINR-KRWDZBQOSA-N 430.505 2.116 30 10 IEEE C#C[C@H]1COCCN1C(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1469135088 FISUTDLBAREDAA-LEWJYISDSA-N 441.553 2.367 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nn2)CC1 1471132004 HSDRMHNSJJNZLP-MSOLQXFVSA-N 443.552 2.053 30 10 IEEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)s1 1492764220 AGESIKVETFJSMQ-UHFFFAOYSA-N 428.566 2.437 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@@]2(CCOC2)O1 1494251872 DFBBIZPGULGTNL-GAJHUEQPSA-N 438.532 2.069 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1496286842 NDHBTSJOLSBDDT-HLIPFELVSA-N 440.548 2.241 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1501799049 JMUNFNDNYODJJA-SFHVURJKSA-N 446.563 2.059 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C 1502251195 HOAVTCXEHCEMAN-AOIWGVFYSA-N 442.589 2.170 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1505018521 VXXPYEJWFZIAHV-UTKZUKDTSA-N 448.527 2.492 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1F 1507710718 JZHVBEPEAMRMBC-SFHVURJKSA-N 434.537 2.038 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507849162 SLIMPYXYLVQYCS-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1508090763 JUGYLINBTGXNMA-RCYNOIJSSA-N 431.562 2.019 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1508094965 KBOKGENVJZELTM-QFIPXVFZSA-N 429.952 2.370 30 10 IEEE Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)s1 1511745563 AQVIRVSYMQUWSN-SJORKVTESA-N 436.545 2.368 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)C1=O 1534379620 JVAXNZJIHMAOHL-IBGZPJMESA-N 440.544 2.224 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)O1 1538455435 DJCAWSCAINIVNJ-ZSYWTGECSA-N 439.553 2.385 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(-n2cncn2)nc1 1538992827 YYEYOJAEGHOJDO-MRXNPFEDSA-N 444.499 2.444 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539059899 UIWPSCREBUVESW-INIZCTEOSA-N 432.546 2.389 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1539133890 KXTHGBQSQRDSGQ-FPOVZHCZSA-N 426.609 2.461 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@](=O)C(C)(C)C 1539251777 PLPPBWWPPCGRBY-PMERELPUSA-N 426.542 2.336 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1539272857 FFWRQPCSOVDSDZ-HSZRJFAPSA-N 444.583 2.038 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCOCCS(C)(=O)=O 1539548904 ZVSBWGALEADXAM-OAQYLSRUSA-N 432.546 2.007 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)CC1 1539874233 KVOBZVVKOAZWQP-HNNXBMFYSA-N 431.562 2.369 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1540137573 VAPVXAIVPSBQRR-WMZOPIPTSA-N 435.569 2.462 30 10 IEEE COc1ccc(-c2noc(CN3CCN(C(=O)CC4(C#N)CCOCC4)CC3)n2)cc1 1540640590 IFWQKCPBCTZDAZ-UHFFFAOYSA-N 425.489 2.100 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540869574 QHSSMMVMRFZBST-MRXNPFEDSA-N 441.536 2.054 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCCC1=O 1541112218 FYLHSOBETKSANM-INIZCTEOSA-N 441.536 2.394 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H]3CC(F)(F)CO3)CC2)c1C#N 1543001678 YVIKCTXCGKTXHY-OAHLLOKOSA-N 434.495 2.066 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCn3ncnc32)cc1 1544855127 LPXSHRFVRSYCCE-GNCLFBLESA-N 430.534 2.387 30 10 IEEE CCN(CC)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1547409371 DSVQCWUJZJVLMI-LJQANCHMSA-N 437.548 2.386 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1547899535 CZNGIVXZLRMRBV-AJSBUHFISA-N 444.580 2.319 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1548267115 PNDUQNJJGXNKKE-INIZCTEOSA-N 436.438 2.358 30 10 IEEE Cn1cnc(C(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(CO)C2)c1 1548366329 QEUBKHUSALYRNE-QRWLVFNGSA-N 433.434 2.272 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1554489059 ALTWHBVMYYTREA-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br 1557364758 XYUBGOIUSCWJBK-CZUORRHYSA-N 427.364 2.191 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C1(CO)CC=CC1 1583348606 HZOPBUYREOWNAF-UTKZUKDTSA-N 439.537 2.411 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1587662819 QWTXTZRCYSTKHZ-LPHOPBHVSA-N 437.523 2.081 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)cc1 1588140151 UKQBVTKGZYCYKS-HXUWFJFHSA-N 439.585 2.148 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccco1)N1CCCCC1 1588158555 GWLMTEKKIFBXJI-HXUWFJFHSA-N 434.544 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](F)COC 1588581617 YIHGELDQSBIEFR-AWEZNQCLSA-N 428.306 2.117 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1595281947 AVMPTPVCOWKEIN-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595477742 YTTBDWDKFCKRAU-AABGKKOBSA-N 436.560 2.085 30 10 IEEE COc1cc(N2C[C@H](C(=O)Nc3nc4ccc(C#N)cc4[nH]3)CC2=O)cc(OC)c1OC 1595733373 AMGDIONOLPOLRG-CYBMUJFWSA-N 435.440 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1595805839 VTMAZFQJRLIEOI-UHFFFAOYSA-N 439.626 2.161 30 10 IEEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1611600012 CEUCNNMHVZBHAV-UHFFFAOYSA-N 431.500 2.051 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611650616 DLIQZANZCRFYDP-UHFFFAOYSA-N 443.460 2.285 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1OC 1616488394 OTROMSLSOGYMPT-HNNXBMFYSA-N 437.905 2.407 30 10 IEEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCC1 1617293270 IMSGHJBYILANEJ-UHFFFAOYSA-N 432.542 2.311 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1scnc1C 1620020152 VLPXWUBGGRBCMO-WMZOPIPTSA-N 445.593 2.186 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1623730065 GWYJWQUBHCUSFS-ICSRJNTNSA-N 437.393 2.157 30 10 IEEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1627010073 HHDLZTMOTSOXDE-QFIPXVFZSA-N 434.496 2.306 30 10 IEEE N#CCCCOc1cccnc1NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1627663793 QTOWENMFGOOISB-UHFFFAOYSA-N 444.513 2.162 30 10 IEEE O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)N[C@H]1CCN(O)C1=O 1628370511 ULOOMILUOQKNQW-HNNXBMFYSA-N 447.904 2.438 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1Cc2cccc(C#N)c2C1 1631763788 LYLYUGOCEJUWKL-IBGZPJMESA-N 445.928 2.287 30 10 IEEE Cc1noc([C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)n1 1637901714 ZQRIWMPIRCYPNH-GOSISDBHSA-N 433.534 2.490 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)C2)c(F)c1 1641703810 VONILJNDXOPRBQ-KFKAGJAMSA-N 434.537 2.033 30 10 IEEE Cn1cc([C@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2(C)C)cn1 1645905420 CGKLBXJVJFEERK-MOPGFXCFSA-N 426.590 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)(F)F 1649538334 BWGQJHKMUOATRJ-JTQLQIEISA-N 447.259 2.183 30 10 IEEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1664952634 GAXYTQMFAZVVME-UHFFFAOYSA-N 443.635 2.298 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 1675125475 FDKDAWOLXRHTET-OAHLLOKOSA-N 438.406 2.299 30 10 IEEE CO[C@@]1(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCSC1 1685325948 YFSDYIXWPZDNJF-HXUWFJFHSA-N 432.525 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC 1690048991 VNHLSXNYOWMZCO-ROUUACIJSA-N 431.537 2.084 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1690077715 VGAFOVPFUZYSQP-KRWDZBQOSA-N 433.553 2.351 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC)CC1 1690124167 GTEDAQCYRQLVBX-LJQANCHMSA-N 446.596 2.184 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCn2cncn2)CC1 1690137784 ISUDTUGGGWDNFQ-NRFANRHFSA-N 446.559 2.078 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690331129 QVJXBQZTYKIVQR-MSOLQXFVSA-N 438.960 2.473 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690513660 FCMVVOOEWQITFF-GOSISDBHSA-N 440.548 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1690725483 ROVWQJPXWACHAK-UHFFFAOYSA-N 442.589 2.276 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690742743 ZTPUSDQOZQZMRV-UTKZUKDTSA-N 431.537 2.385 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@H](C)C1 1691001668 MBJGXBGPCXSLBP-DLBZAZTESA-N 443.552 2.103 30 10 IEEE Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1693310664 SIJLOZGBGACMTJ-UHFFFAOYSA-N 448.531 2.268 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705495508 RCUCHNLWRSAMDD-GDBMZVCRSA-N 430.530 2.194 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705669066 AQFFQNUFCKMHPR-WOJBJXKFSA-N 434.949 2.140 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705737338 ONCPUPDQNQDDIV-QGZVFWFLSA-N 443.508 2.005 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2oncc2C1)C(C)C 1705866833 AUYAKPURLPJZLS-RBUKOAKNSA-N 439.564 2.479 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)C1 1705925867 VLEACXKKVIMFCJ-QWFCFKBJSA-N 446.573 2.429 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)cs1 1707761184 JJYKVCBPJJLXQJ-GPMSIDNRSA-N 429.594 2.483 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C(C)C)C(C)C)n1 1707832590 DLPHJJRUNJUKNC-FQEVSTJZSA-N 428.585 2.377 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccccc1)OC 1708756763 HJKYHRCPYYDKOI-PMACEKPBSA-N 440.548 2.183 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN(C)CCCOC 1709136953 DFIPPIMFELBMNR-UHFFFAOYSA-N 429.544 2.146 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1NC(=O)CC1(C)C 1711999979 GSGZPKJXPFMTQX-CRAIPNDOSA-N 426.521 2.376 30 10 IEEE COCCn1cc(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)cn1 1712467380 CCEYYKONKWXSSO-OAQYLSRUSA-N 443.458 2.329 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CC(F)(F)Br)c1 1712879174 YWAUFCRDAXYKFI-UHFFFAOYSA-N 425.237 2.131 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1722297795 OLRBYJRGCIPZIV-QGZVFWFLSA-N 442.589 2.480 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1722341060 QWGNBGRIPAGQDA-CVDCTZTESA-N 431.581 2.033 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)c1ccco1 1722345550 GXTAINHNLAWMKC-UHFFFAOYSA-N 439.472 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCc1ccco1 1722392768 SIFCYAYQXGOTDW-UHFFFAOYSA-N 431.452 2.046 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCC[C@H]1C 1722419624 CCIDTCGVNOXMCQ-IMFGXOCKSA-N 446.548 2.384 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN(CC)CCC(F)(F)F)CC1 1722437514 UOSFJMBVLWMGQT-SFHVURJKSA-N 442.530 2.202 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC2CCOCC2)CC1 1722440213 FXNUWOLAUNKYMF-UHFFFAOYSA-N 425.581 2.102 30 10 IEEE C=CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722609255 CQGDQJDXXPLTQI-PXNSSMCTSA-N 426.583 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](OC)C(C)(C)C1 1722693774 ZUMSFOLOJQZIHE-IBGZPJMESA-N 435.532 2.499 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(Br)cn2)C1 1722719695 YQTAHRXGXQHJOQ-HOCLYGCPSA-N 437.342 2.223 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(C(N)=O)c2)CCOC1 1723665373 UVZOGCNBCGDTIV-ZHRRBRCNSA-N 426.521 2.204 30 10 IEEE CC12CCC(CC1)N2c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1724049585 XTWDVZWFTIMCHK-UHFFFAOYSA-N 444.561 2.189 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1729409767 UZJXOSGDLVPKNC-LPHOPBHVSA-N 429.546 2.115 30 10 IEEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)n1 1729591270 SJOYCYDEEUJJIA-HNNXBMFYSA-N 428.447 2.387 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)NC(C)C 1740636691 ZKYASWRNYLJMQE-UHFFFAOYSA-N 437.928 2.138 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC=CCO2)n1 1740689743 ZYPSMRZGVASQFR-RTWAWAEBSA-N 440.548 2.348 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740716113 MHAIQQJFDMPLGY-LJQANCHMSA-N 444.649 2.435 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740849018 WTUXUWCHROFGEP-ARFHVFGLSA-N 446.639 2.040 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1)C1CC1 1740910665 HZNHMEPCFKUBQL-SFHVURJKSA-N 429.546 2.248 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1741001160 MJSQHTOXRINYNR-KGLIPLIRSA-N 432.516 2.221 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)O1 1744218679 LNNLAOATENREPX-CKJXQJPGSA-N 444.561 2.346 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)C(C)(C)C 1748671534 KENMHZZVWJLBSM-INZIPBBXSA-N 443.621 2.457 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1748717786 IOCKHAROAYXBLE-IEBWSBKVSA-N 447.561 2.349 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)OC 1748881983 IDCUPEQUNBAWGL-UHFFFAOYSA-N 443.573 2.083 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749268637 DPCSDXMKFMMSGG-HOCLYGCPSA-N 428.002 2.243 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749356204 MRTRTHGSXPZJJO-ZWKOTPCHSA-N 435.525 2.205 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2O)C1 1749671697 GTPTVIHKAPXJEP-UHFFFAOYSA-N 438.919 2.488 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(C)(=O)=O)C1 1749717680 OQBZXKLJPSVMIP-SFHVURJKSA-N 434.562 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)CC1 1749723936 DTMCPLBWQYHFJU-UHFFFAOYSA-N 447.483 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1749725157 RJMJMDGJIIPXHU-SFHVURJKSA-N 441.557 2.423 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1749959680 RGLFKWIRNLRSIX-SFHVURJKSA-N 430.459 2.346 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)C[C@H]1OC 1750189888 BHPHSQIMLBDSFD-JQVVWYNYSA-N 427.505 2.148 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1752549658 VXWXXTUULREVPW-IIBYNOLFSA-N 433.578 2.485 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1752549659 VXWXXTUULREVPW-KKSFZXQISA-N 433.578 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1760099320 DWPLIZMXORNBMG-UZUQRXQVSA-N 425.533 2.185 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760134781 YLSNEJBTGIWJIL-QFIPXVFZSA-N 443.555 2.492 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1760187215 CCUJZFOIYXKTCL-GOSISDBHSA-N 431.562 2.092 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1760197373 VFJPMAFPSFERRK-FPOVZHCZSA-N 440.569 2.483 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1760224495 MICCRMQRTIDYPZ-UHFFFAOYSA-N 431.850 2.330 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1760313972 ROEOORVTJRCWTK-QRVBRYPASA-N 435.569 2.028 30 10 IEEE C=C(C)COCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760361699 PVLNJWKWGKOIPJ-AUSIDOKSSA-N 447.580 2.113 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760377994 UZPRDWNRYSLIMS-CQSZACIVSA-N 432.941 2.215 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C)C1 1760450727 QRNNPAPZEXNCKO-SFHVURJKSA-N 427.553 2.270 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1760495729 VQYSYBGLJUNMJY-SJORKVTESA-N 446.552 2.044 30 10 IEEE CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1761257362 HMNNCLAOTXLFEH-UHFFFAOYSA-N 439.539 2.483 30 10 IEEE Cn1cc([C@]2(C)CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CCO2)cn1 1767450886 VEJXLHNHJKRZMY-QHCPKHFHSA-N 435.532 2.465 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC[C@H](F)C1 1767930730 FXLVFARSCMSQPQ-SJORKVTESA-N 430.532 2.193 30 10 IEEE COC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1769247686 FNIRUNYYUILBJX-TZIWHRDSSA-N 440.548 2.379 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769723265 ZUBLCKWIRJKVTK-KRWDZBQOSA-N 443.515 2.230 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)C1 1770726627 HHCRMQRKFOBVME-HXUWFJFHSA-N 432.887 2.323 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(Cc4ccncc4)n3CCOCCCO)CCO2)c1 1770736318 YXLSXDZKJSHNST-QFIPXVFZSA-N 448.527 2.112 30 10 IEEE COCCCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771050216 YBTOSWHGTMOIGJ-KRWDZBQOSA-N 448.531 2.367 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccccc1)N(C)C 1771224028 ZVIXGNKHNPGOPK-MISYRCLQSA-N 428.537 2.034 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCCC2)CCO1 1771536252 MSZWMKIPKPZNDM-QGZVFWFLSA-N 425.493 2.003 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccccc1F 1771543290 AKWRPIJBLYVDDR-QGZVFWFLSA-N 426.496 2.481 30 10 IEEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(Cc2nnc3n2CCCC3)CC1 1853301737 DNTMLGHAYJESRY-UHFFFAOYSA-N 429.956 2.447 30 10 IEEE C#CCCCC(=O)N1CCn2cc(C(=O)NCc3cnn(C)c3)nc2[C@@H]1c1ccccc1 1857657673 PSHAWNNVTBXJHS-QFIPXVFZSA-N 430.512 2.282 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862574532 LQDZYFSGTXJUBK-FKIZINRSSA-N 443.452 2.377 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1cccc(O)c1 1862589455 LFNSUHKMLLWTDX-OAQYLSRUSA-N 438.480 2.398 30 10 IEEE C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)CC1=O 1870149671 NGDHOWGFBZMTNI-GOEBONIOSA-N 444.451 2.416 30 10 IEEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C)CC2)cc1=O 1870387665 OBCBQCSMOLUFTM-QFIPXVFZSA-N 426.561 2.169 30 10 IEEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597397 YDCUEFWVAUSKJQ-UHFFFAOYSA-N 430.553 2.453 30 10 IEEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCC(C(N)=O)CC2)nc1-c1ccccc1 1872801007 YSHFCLQEOHKVTE-MRXNPFEDSA-N 440.525 2.360 30 10 IEEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1OC 1874279626 DMDARLBAGBVTET-HJGVYBFFSA-N 447.561 2.376 30 10 IEEE COc1cccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)c1 1874289777 WCFRRBGHZRMOBC-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE COC(=O)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(O)cc1O 1874293824 WQNQIVQABWIQGN-UFFVCSGVSA-N 444.469 2.424 30 10 IEEE CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C1 1890090321 MOZOEWNSISQLPR-NRSPTQNISA-N 428.558 2.079 30 10 IEEE Cc1cc(C)n(-c2ccc(OC3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)nn2)n1 1890278476 RSZZKJAJKIOFGM-UHFFFAOYSA-N 438.513 2.383 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1908507500 LRNKJLSYDAYUCG-OAGGEKHMSA-N 440.541 2.060 30 10 IEEE N#C[C@@](N)(CC1CC1)Cn1cnc(I)c1I 1995445520 DDCTZXDSCPTAAK-JTQLQIEISA-N 442.042 2.113 30 10 IEEE CC(C)(C#CC(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023918058 PDLYVVKZJCCSEM-JYJNAYRXSA-N 439.553 2.074 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128729577 FAYYABXZGURMSR-SFHVURJKSA-N 446.353 2.238 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141677587 HRZIMSUPZPGVJW-HOCLYGCPSA-N 447.341 2.249 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@H](C)N1C(=O)OCc1ccccc1 2174785119 VPLNGXITSOURGX-ROUUACIJSA-N 435.546 2.368 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255657744 SZZVHDNPAHAFKA-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256894305 HLTDQFIMYVGPIG-XJKSGUPXSA-N 437.321 2.472 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2259933119 ICVDJOMTVYAGKH-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129328 ZRMLBGZEGTZRGR-PKOBYXMFSA-N 438.381 2.217 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267180345 ZYWHQSOARMMBRS-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267272857 DWTAKCNVQBZWCX-GASCZTMLSA-N 446.357 2.246 30 10 IEEE CC[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267518678 GJIJENZHCCKPLB-GOEBONIOSA-N 448.373 2.474 30 10 IEEE Cc1c(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525227 BHKZMOGKYGRAET-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267592484 MTGGJXPQAGRJCL-ROUUACIJSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267611682 UZYNWHWOJRCQAV-OAHLLOKOSA-N 446.357 2.151 30 10 IEEE C[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268641245 AXKXFODWHFEYFB-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268656552 YHKGXZOUPHCWBF-KBXCAEBGSA-N 446.353 2.102 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300301846 YQXUFKZVGFLEBB-FPMFFAJLSA-N 435.355 2.180 30 10 IEEE O=C(O)COc1cccc(C=C2SC(=Nc3cc(C(=O)O)cc(C(=O)O)c3)NC2=O)c1 2314926857 UHSSEHCRQWQDRW-UHFFFAOYSA-N 442.405 2.438 30 10 IEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccs1 2325917564 GWSOBMGGLPHMEU-OAHLLOKOSA-N 440.554 2.315 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1[N+](=O)[O-] 2331571080 KESUTCCIXHXHBM-UHFFFAOYSA-N 430.446 2.216 30 10 IEEE O=C(NCc1ccccn1)c1ccc(Cl)c(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 2959197 BIEGLGZFTGEIPR-CVEARBPZSA-N 436.946 2.155 30 10 IEEE C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 18661856 CCNSRVWVDRIMOW-CALCHBBNSA-N 447.557 2.007 30 10 IEEE CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)NCCN2CCOCC2)cc1 22694320 ZQYNIKPAKUZZCN-UHFFFAOYSA-O 443.549 2.305 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c(C)c1 102516332 MRJQOCWLROBFSI-SADKCHQCSA-N 437.496 2.153 30 10 IEEE COc1ccc(NC(=O)C[C@@H]2SC(=NN=Cc3ccc(O)c(OC)c3)NC2=O)cc1 252678929 HTGLLVWIDXWDAA-KRWDZBQOSA-N 428.470 2.360 30 10 IEEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409552909 LUUCWOQCBVYTQK-JTQLQIEISA-N 445.444 2.364 30 10 IEEE COCCN(CCC#N)S(=O)(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 409595283 KUCIKMAEDTUROZ-UHFFFAOYSA-N 448.511 2.366 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CCOC)[C@H]1CCOC1 460928759 PIRMBHHKFZHDDZ-SFHVURJKSA-N 449.577 2.013 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2COCCO2)n1C[C@H]1CCCO1 461119813 AZLOMDWPHSNHSW-WOJBJXKFSA-N 427.505 2.070 30 10 IEEE CC[C@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 464767666 WNRKPZODQJBNDO-LJQANCHMSA-N 427.524 2.432 30 10 IEEE Cc1ccc(-n2[nH]c(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cc2=O)cc1 469076050 RDYGRKBGRGESBR-LJQANCHMSA-N 433.493 2.500 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 474092634 ACBOGVQGWDBDCA-UHFFFAOYSA-N 442.932 2.299 30 10 IEEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 483221362 ZPDAFRUUJILVNO-CHPDAQJUSA-N 430.505 2.395 30 10 IEEE C[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCN1C(=O)c1ccccc1 489183347 MPHOVTVJCNSJBA-BWKNWUBXSA-N 430.508 2.470 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 508480851 KXOGNHRRBFRVJO-UHFFFAOYSA-N 432.484 2.141 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 508831214 ABQGSRHONARAMM-OXJNMPFZSA-N 436.965 2.204 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 508868629 WGWNVPXWRRBEMQ-UHFFFAOYSA-N 445.520 2.492 30 10 IEEE COc1cc2c(cc1OC)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 516230348 RFHNNZLILRUFLE-UHFFFAOYSA-N 443.525 2.137 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CN4CCC[C@H]4C(N)=O)c3)cc2C1=O 516680072 QPDLUMCTDBJNTK-FQEVSTJZSA-N 432.480 2.171 30 10 IEEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 522895990 XWUSWRZMBJKPJL-QGZVFWFLSA-N 443.525 2.330 30 10 IEEE C=CCN(C(=O)c1cc(I)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 532510503 GGLNAZKXFGBRFU-SECBINFHSA-N 441.237 2.385 30 10 IEEE COc1cccc(-c2nc(=NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)s[nH]2)c1 541762830 LJEMOYUMZHYHBB-ZDUSSCGKSA-N 436.501 2.040 30 10 IEEE C[C@@]1(C(N)=O)CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 544531746 VTMPCZDIUZGVQP-HJPURHCSSA-N 427.549 2.086 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 549637589 CFKYJBRKSFOCIN-UHFFFAOYSA-N 439.520 2.174 30 10 IEEE N#Cc1cc(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cnc1C(F)(F)F 552346651 YRUFNKFPERFPIU-LLVKDONJSA-N 444.460 2.474 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(F)cc2F)c1=O 560425916 LTBNGPMDHYICON-UHFFFAOYSA-N 440.475 2.091 30 10 IEEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)NCCc1cccc(Cl)c1 585673761 RJGBWPZKFIHYRD-BCBJWTNWSA-N 426.860 2.072 30 10 IEEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 619107101 VDFZKTUVNBUWAF-UHFFFAOYSA-N 441.557 2.094 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(F)F)cc1 729669980 GNFYJOOCZFLXLS-UHFFFAOYSA-N 435.415 2.175 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 732455332 FBXZUSROQBOVGF-ZCXUNETKSA-N 448.405 2.217 30 10 IEEE COc1ccc(C)cc1C1(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCOCC1 746161952 FORYEYYPEXZFGU-QURGRASLSA-N 427.501 2.085 30 10 IEEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)[C@@H]1CCS(=O)(=O)C1 751274410 ASTQUJLKWPZTQH-VQTJNVASSA-N 438.549 2.341 30 10 IEEE CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1 751688974 XQKLLJLZZWNYTD-MJGOQNOKSA-N 448.589 2.262 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2OCC#N)C1 760789699 KDCKIENBRNTPON-CQSZACIVSA-N 436.465 2.372 30 10 IEEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 775986122 DYNVZJRWGKCADP-AHKFUKCMSA-N 449.577 2.397 30 10 IEEE Cc1ccc(-n2nc(CCCNS(=O)(=O)c3cnn(CC4CC4)c3)c(C#N)c2N)cc1 777880747 RHXCURLUEWTMQZ-UHFFFAOYSA-N 439.545 2.152 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CCN1C1CC1 783320934 UQUXBRXHXQDWJX-INIZCTEOSA-N 432.406 2.028 30 10 IEEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1OC 787553444 PEOLOGWVTAMSCV-HZSPNIEDSA-N 429.473 2.406 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)s1 788065443 DFHIEITYUVHPLZ-UHFFFAOYSA-N 446.514 2.208 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)n1 790105597 RJQVKZTUSDCDOL-UHFFFAOYSA-N 436.556 2.363 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)Cc1ccccc1I 796724045 PSRGSHIEIOWHQD-UHFFFAOYSA-N 440.262 2.352 30 10 IEEE C#CC[C@]1(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CCCN1C(=O)OC(C)(C)C 809623825 AQRAFACVIAMFEI-GAJHUEQPSA-N 431.508 2.379 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1F 1084653895 FSHNEIORQSHRCH-UHFFFAOYSA-N 431.501 2.394 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2cc(C(=O)N3CC[C@@H](OCC=C)C3)cc([N+](=O)[O-])c2)C1 1116598134 XSEFZSZKAYWHQW-WOJBJXKFSA-N 429.473 2.429 30 10 IEEE CNC(=O)COc1cccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1140169506 DQTOMIWBQLRBLL-UHFFFAOYSA-N 429.517 2.078 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 1152768694 WLGVJEKNILYZCQ-UHFFFAOYSA-N 444.532 2.131 30 10 IEEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1160146469 PSYRYXSEPMDVTE-QGZVFWFLSA-N 432.929 2.201 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc(Br)c1 1161179949 ADUQSHDEPZPSTM-CYBMUJFWSA-N 436.331 2.346 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(-c3ccc(OC)cc3)no2)c1 1165944809 XOTUNEJYDSRTNY-UHFFFAOYSA-N 425.466 2.192 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)C1 1176113248 IKHDYJUNKIWXHO-OAQYLSRUSA-N 435.546 2.044 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2C1 1195472823 PYOIWYICVDRSOY-GOSISDBHSA-N 431.539 2.287 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c1 1196963287 ZEQWMSIOOTXJNG-IRLDBZIGSA-N 446.617 2.133 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1219086695 KWOXJKZUFLQYOW-NEPJUHHUSA-N 432.340 2.402 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1233852051 JMTLHTRDJPLPHY-RDJZCZTQSA-N 444.488 2.136 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 1269323624 MSVABOIPMKFTDD-IBGZPJMESA-N 445.479 2.349 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1286296276 NXIPOBISBUSBPK-DLBZAZTESA-N 433.553 2.350 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286349471 XUXKYCOXTKAINX-MRXNPFEDSA-N 426.521 2.160 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286386156 VQPLCGCUHMBCQU-ROUUACIJSA-N 430.578 2.316 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388924 CVMLNBUGZASKQV-UXHICEINSA-N 445.564 2.224 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286503851 JYFJULXGWBZHGD-QUCCMNQESA-N 428.606 2.197 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286509949 FQCUBPGIBZHNAM-UHFFFAOYSA-N 443.548 2.469 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286672640 OOTLZVXNNRZXQD-QZTJIDSGSA-N 430.597 2.173 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1286758975 XSKGEUCGMNEWMA-KRWDZBQOSA-N 426.546 2.249 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](CC)C1 1286821776 AQGVAQDEPXGQLJ-LJQANCHMSA-N 443.573 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCSCC1 1286823756 QNCGPQSKHJJUDW-UHFFFAOYSA-N 426.539 2.150 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1nncn1C 1287216412 DHOLWAALRITASN-UHFFFAOYSA-N 425.928 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC(C)(C)S(C)(=O)=O 1294109908 HRVWDLVVNCYSCN-QGZVFWFLSA-N 435.546 2.332 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1300403417 LCRFZPUZIQKTJJ-QGZVFWFLSA-N 447.543 2.316 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@H](O)C1 1300438610 OTJITPGOLRVMHB-SJORKVTESA-N 430.578 2.167 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300487745 MFRKAVIJUCFNHL-PGRDOPGGSA-N 445.589 2.231 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300489387 NDLHJYKYVGBGEQ-YJBOKZPZSA-N 435.981 2.175 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1csc(C)n1 1300517152 YQVASWONUQWHBH-UHFFFAOYSA-N 439.566 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1300581454 SKAQAALKOFMRBQ-QZTJIDSGSA-N 442.564 2.338 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300743012 DTLLPJOETFGMIB-GOSISDBHSA-N 440.573 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccccc1)OC 1300780526 RYKHAQFGGYEVJX-SFGWALBWSA-N 445.589 2.138 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301481637 NMJKEEGOKDFMCV-HIAAXKJVSA-N 443.523 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301578237 UIEFFZWBZNCUBW-NPPFBWRTSA-N 446.573 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301586740 IPMGVFQYLAWLSE-MOPGFXCFSA-N 448.564 2.472 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1301611468 BZYZLDFUCZFMQH-QGZVFWFLSA-N 439.651 2.164 30 10 IEEE COCc1nnc(-c2cccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c2)o1 1306893113 RNHBYYGAUCHPEU-UHFFFAOYSA-N 436.424 2.401 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316018991 WDJBFWSJXUBLEO-FQEVSTJZSA-N 435.532 2.332 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4sccc4C#N)o3)CC2)cc1 1323048213 XWJQAPZAKZCJGC-UHFFFAOYSA-N 429.527 2.485 30 10 IEEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCC 1347694203 VZOZKWFMSQHSAE-UHFFFAOYSA-N 425.576 2.224 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1358966283 LOIMTDLERMDMSJ-LJQANCHMSA-N 443.573 2.089 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1-c1cnn(C)c1 1358970859 ZHGGWNGWJZWBMP-VWLOTQADSA-N 444.539 2.452 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCC[C@H]1C 1358978827 VYOCARYROWONJC-NTKDMRAZSA-N 433.560 2.076 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1(N(C)C)CCOCC1 1359025784 YROIHCSXWHHWJD-UHFFFAOYSA-N 425.577 2.374 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCNC(=O)C2CCC2)CC1 1359036601 BBRXWMXIVORWLH-UHFFFAOYSA-N 434.588 2.239 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1359261112 WWEAKLDWZZTYOW-SFHVURJKSA-N 444.536 2.294 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCC2(CCOCC2)C1 1359334202 WYHCCRGFHQONLO-UHFFFAOYSA-N 445.589 2.262 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC(C)(C)C1 1360480552 BQNJUPRZROSDFV-MRXNPFEDSA-N 445.593 2.119 30 10 IEEE Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1361258736 CHNGELBRDGTLMQ-DQRAZIAOSA-N 447.499 2.328 30 10 IEEE Cc1cccc(CNC(=O)c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)c1 1443540466 YAOSBDMUJHUAEO-DARPEHSRSA-N 432.480 2.181 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3cc(Br)ccc3C2)cc1 1454045839 JYYRXMNVSZKUTH-UHFFFAOYSA-N 449.326 2.395 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(C(=O)OCC)c2ccccc2)ccc1F 1455920929 KENOEJNKUWVJSF-NRFANRHFSA-N 434.489 2.498 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc21 1467380814 SDXUKCDEYDZJQT-UHFFFAOYSA-N 432.484 2.116 30 10 IEEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1470621504 APYJRZNBZNWZSK-UHFFFAOYSA-N 428.439 2.440 30 10 IEEE Cc1c(S(=O)(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)sc2ccc(C#N)cc12 1475137141 FGYHGFDBPNWZJH-KSSFIOAISA-N 440.568 2.096 30 10 IEEE CN(OC1CCCC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1503642825 WJAOCRPCQOYXOD-KDDVOAFDSA-N 430.509 2.357 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1505038636 KVXIPXCSMMSBEU-LJQANCHMSA-N 435.532 2.282 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1507592326 SBNBSOGMFUMWFT-LJQANCHMSA-N 426.565 2.262 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1507630021 YGRLLAZVTCWYHS-SFHVURJKSA-N 433.578 2.205 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1507646940 UJKZVUIVJFAEBH-FQEVSTJZSA-N 430.556 2.478 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NC(C)C)CC1 1507721220 IBGATEXYSRVKNJ-KRWDZBQOSA-N 444.967 2.351 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCOCc2ccc(OC)cc2)CC1 1507731216 DCRHPHIOBSFUBL-NRFANRHFSA-N 439.560 2.153 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC)C1)c1ccccc1 1507924543 OWJQXHJZFUTMHZ-HSALFYBXSA-N 425.533 2.441 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccc(C)cc2)C1 1508117638 MWHAOXUYPIFMLU-FQEVSTJZSA-N 435.532 2.198 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C2CC2)C1 1508118571 SHCBEKMTXOHRBJ-XMSQKQJNSA-N 446.573 2.291 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)COCCO2)C1 1508124985 GQQIBXZHRZPCOI-CVDCTZTESA-N 428.533 2.464 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1508231722 IICLGZYSEJYZRS-FQEVSTJZSA-N 438.532 2.214 30 10 IEEE Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1511435032 VWOXICLFVLUETM-UHFFFAOYSA-N 448.531 2.268 30 10 IEEE CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1514243378 HRECLUVTYAYKNP-XMSQKQJNSA-N 426.521 2.427 30 10 IEEE COc1ncc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1C#N 1535490714 HOHDUYAMBRSFRE-LBPRGKRZSA-N 426.907 2.469 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2cnn(C)c2)c1 1539039836 JNQDSBMLSGTSHG-UHFFFAOYSA-N 440.511 2.487 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1539176583 RBGXUJYJZMLREA-MSOLQXFVSA-N 433.553 2.268 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1539190313 HOGPYWZDCOUTGA-SQJMNOBHSA-N 436.604 2.263 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 1539207193 ZWNRCHCWNMAHRA-CYBMUJFWSA-N 443.392 2.280 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539221537 PMVONBMBBZGAPK-RTWAWAEBSA-N 442.585 2.350 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1539469584 CKGGXYZBZDFZNL-DYESRHJHSA-N 432.528 2.208 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1539670274 ZRMIYABTZGHFDU-KRWDZBQOSA-N 441.561 2.212 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCNS(C)(=O)=O)CC1 1539854172 MTRHNZTVEROPMP-UHFFFAOYSA-N 433.578 2.168 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)CC2)c1 1540001560 QIQYJNZGHPICIF-WOJBJXKFSA-N 437.475 2.351 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540035704 HFVPNOGNKCYARY-NRFANRHFSA-N 443.596 2.211 30 10 IEEE Cc1nn(C)cc1C1=NO[C@H](C(=O)Oc2ccc(C#N)cc2I)C1 1540190569 YJYYKPMLFNLVFN-HNNXBMFYSA-N 436.209 2.303 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCOCC2)C1 1540887180 RHVAIKKYFYOBES-NRFANRHFSA-N 427.549 2.457 30 10 IEEE N#Cc1ccc(N2CC[C@@]3(CO)CN(C(=O)c4cnccn4)C[C@H]3C2)cc1C(F)(F)F 1548366354 XDBMHEDMDNFSKQ-QRWLVFNGSA-N 431.418 2.328 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1)CC(F)(F)F 1554290148 QCELQWJXOHIKNW-FQEVSTJZSA-N 447.465 2.027 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCc2ccco2)cc1OC 1554825401 VPPJJGJGBSYIHJ-HNNXBMFYSA-N 438.488 2.468 30 10 IEEE N#CCSc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 1556080564 KFWPSKGRXZBGFP-UHFFFAOYSA-N 433.511 2.281 30 10 IEEE CO[C@H](CC(C)C)CS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1561726344 BDBZMOIMFJXONU-LJQANCHMSA-N 431.562 2.461 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(C)ccc(Br)c3[nH]2)CC1 1565590039 KLZPGYYIKLTLGU-UHFFFAOYSA-N 431.334 2.136 30 10 IEEE CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)CNc2ccc(C#N)cn2)CC1 1566434795 DPUOSKLQDJHBFH-UHFFFAOYSA-N 441.557 2.243 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1570824220 QWQAJGLJMYXLCD-CQSZACIVSA-N 449.451 2.045 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NCCNc3ncccc3C#N)cn2c1 1583543584 SVKPORVDJJGQET-UHFFFAOYSA-N 435.488 2.468 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 1585000204 RHCKZCDBJRNEHO-UHFFFAOYSA-N 434.540 2.112 30 10 IEEE C=CCCC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1586933587 XERIPGKHKXWTGR-UHFFFAOYSA-N 425.526 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1(S(C)(=O)=O)CC1 1588099684 VXKNQXMYEZPRQC-UHFFFAOYSA-N 447.358 2.358 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccn(CC)c1=O 1588385763 JRWJHSWEUOGYQL-UHFFFAOYSA-N 446.559 2.142 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2n[nH]c(C)n2)CC1 1588899531 RMZPWARNCUCPMW-UHFFFAOYSA-N 446.559 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(=O)(=O)CC 1589185691 GVJMKKSBTURRKY-OAQYLSRUSA-N 426.546 2.138 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N(C)C)c2)CC1 1594192521 KEWMOEVVAZNPKF-INIZCTEOSA-N 432.594 2.405 30 10 IEEE N#Cc1c(CCCNC(=O)C2CN(C(=O)C3CCCCC3)C2)nn(-c2ccccc2)c1N 1595340105 GGZWREWLKGCSKD-UHFFFAOYSA-N 434.544 2.414 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCNC(=O)[C@H]2CC)cc1 1595614369 SPGCMPKJNBAHCU-AZUAARDMSA-N 425.533 2.500 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1595747715 MNFVMSOGFZBHCJ-HXUWFJFHSA-N 442.497 2.321 30 10 IEEE COC(=O)C(C)(C)CN(CC(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1596454945 XLUVTRCCBQGPCM-GOSISDBHSA-N 442.516 2.447 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc21 1610993332 AMNCSKDWKPWXDV-UHFFFAOYSA-N 436.491 2.277 30 10 IEEE Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 1611011488 VLFVWDGWHZQVTG-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1612796660 HAFXJTCLKGYYQV-NFFVOIMASA-N 435.532 2.417 30 10 IEEE CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1612869519 GAGUGQSCYNRXBD-DENIHFKCSA-N 448.637 2.432 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cc(C)cc(C)c2)CCOC1 1616261620 HWQFKANCYVDDBM-OFNKIYASSA-N 441.532 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1 1616348294 WNPDHXPUZBJVTM-UNEBPCJRSA-N 442.516 2.155 30 10 IEEE CN1CCc2c(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cccc2C1=O 1618009066 WZVPYFFRBPRFIM-IBGZPJMESA-N 431.452 2.030 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(COc2ccccc2F)nnc1N1CCCC1 1620385313 VLOAWJJTMBUKRK-FMQUCBEESA-N 426.452 2.123 30 10 IEEE Cc1oc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N1CCCC1 1624129274 FZSUBMSJJGSTDU-UHFFFAOYSA-N 428.514 2.207 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1626781948 YRIPJWNREWVXQW-QGZVFWFLSA-N 433.557 2.158 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)C2)C1 1627747269 SKSFPVVHZRSSKA-QOLBRVKBSA-N 430.509 2.059 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F)C(=O)OC 1629617115 GYZXOHRQEURDOK-IFXJQAMLSA-N 444.484 2.260 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)N2CCN(C(=O)CC#N)CC2)(c2ccccc2)C1 1630034614 SNESAJOYEYLZSC-RXAXNXDRSA-N 426.517 2.196 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](C3CC3)C3(CO)CCOCC3)C2)C1 1631437103 SMKUWVARIIDULA-FZQSFKQPSA-N 447.576 2.457 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1)c1cc[nH]n1 1636426739 RPHKCXRDTMCNRX-SFHVURJKSA-N 444.488 2.201 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNc2cc(C#N)c(Br)cn2)cc1 1639630175 BRZXUHVSNOTYLG-UHFFFAOYSA-N 438.303 2.416 30 10 IEEE C#C[C@@H](CO)NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 1641574001 CKCQKDYYRCSIAC-SFHVURJKSA-N 448.519 2.432 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)n(-c2ccc(F)cc2)c1C 1648123145 FRKNACRHBATEOY-CTNGQTDRSA-N 439.491 2.023 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 1651453627 DVXDPSDFGQCJGE-JQHSSLGASA-N 447.557 2.116 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C(C)=O)CC3)nnc12 1654800769 QAAAPXRUMDJTPB-UHFFFAOYSA-N 425.514 2.150 30 10 IEEE CCOc1ccc(-c2nnc(SCC#CCN3C(=O)c4ccccc4C3=O)n2N)cc1 1656127850 TWYMXXXHQVRMOJ-UHFFFAOYSA-N 433.493 2.449 30 10 IEEE COC(=O)[C@](C)(CCF)NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1659424186 CDDROUKGHMDZAR-NYHFZMIOSA-N 434.512 2.237 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)n(-c2cccc(F)c2)c1C 1659905067 WBVMEFCFCYYHPF-TZIWHRDSSA-N 439.491 2.023 30 10 IEEE C=CCNC(=O)CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1662467611 IPRSCCOYPNHIRI-FCHUYYIVSA-N 427.570 2.185 30 10 IEEE C=CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1667315228 HHGRSSGBYFADSQ-CALCHBBNSA-N 437.562 2.419 30 10 IEEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1671601719 XPWYYTNNDNHKLN-KRWDZBQOSA-N 438.571 2.366 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCN(CC)CC1 1689960073 XNEUGTPMFVYSGP-UHFFFAOYSA-N 432.576 2.228 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1Cc1cccnc1N1CCOCC1 1689975302 REQCLLOCQFTBPZ-UHFFFAOYSA-N 436.491 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccc(N2CCOCC2)c1 1690105184 WJFLRCYYHQLBOZ-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690228864 HKGNHCVKVARSID-OAHLLOKOSA-N 449.415 2.415 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690253394 PYJARDGHNONMEA-SJBKTWHCSA-N 432.613 2.012 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1690444525 IXPKPDVCPSUNIQ-UNMCSNQZSA-N 449.559 2.380 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCCC)C1 1690685055 UUHZSBIXBUXBJN-IBGZPJMESA-N 440.548 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CCN(C)CC2)C1 1690685193 XUCJVPMNFNDFLL-QGZVFWFLSA-N 436.626 2.025 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCN2CCC[C@H]2CO)cn1 1696863833 XISMHUDKGYZKNL-SIKLNZKXSA-N 426.569 2.046 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1698130008 PVCMTQRJQUUQQZ-WOJBJXKFSA-N 448.612 2.489 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1698301418 BHRLAAUARVOKAI-INIZCTEOSA-N 435.937 2.152 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705485832 QAWDWBXRAYYHHC-DLBZAZTESA-N 438.557 2.233 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1705887110 OLNHRSXZCSZAGL-QRFRQXIXSA-N 430.578 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(COC)CC1 1705900983 WTILCSLXJDJDMT-UHFFFAOYSA-N 433.516 2.216 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1707013234 UESOYGQYCLBCCQ-XUTLUUPISA-N 433.472 2.404 30 10 IEEE CCc1cnc(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)s1 1708966820 BVHKGQHVIFWSLB-DOTOQJQBSA-N 445.593 2.246 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1710611538 GTDVQBXVPDTATQ-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE COC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1712160684 DDNHUJSYZBRISA-HXUWFJFHSA-N 448.527 2.260 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1712611597 HXEUWPRRHFEXGD-LJQANCHMSA-N 427.505 2.259 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1722388333 SYLDNUHFCPLFMS-HSZRJFAPSA-N 433.556 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CCOCC1 1722390910 XBQCNMIEBLJQBB-LJQANCHMSA-N 436.516 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCN(CC)CC1 1722399081 HXGHCBOIUSCMNU-IBGZPJMESA-N 439.633 2.123 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCc2nccn2C1 1722425724 KEPZHGLOEOJFQV-IBGZPJMESA-N 434.544 2.423 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCC[C@@H](O)C1 1722427460 VNRNLNBZXOXXJI-OPYAIIAOSA-N 426.517 2.428 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(O)CCOCC2)CC1 1722435322 KPTMSGQNRQADAN-UHFFFAOYSA-N 429.952 2.285 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCCCCC2=O)CC1 1722436685 KTYPKBVLZDFCPQ-FQEVSTJZSA-N 428.581 2.068 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722454269 KUMSRTVRLMZQJI-WMZOPIPTSA-N 444.513 2.443 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722739161 AUFVOCWACLJQSV-PKOBYXMFSA-N 448.637 2.228 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1729526805 PWLYCCVWQIXLQF-LJQANCHMSA-N 430.578 2.028 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740577668 LOWRIVOCGMPMKK-OAQYLSRUSA-N 428.562 2.036 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCSC2)CC1 1740699389 DTPBPYUCDOZPMN-QHCPKHFHSA-N 441.601 2.097 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1740759658 KDJSOZSDZWDVIM-NQIIRXRSSA-N 448.589 2.340 30 10 IEEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740841712 XOKHDGUATMHEBR-QFIPXVFZSA-N 446.573 2.118 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1740994780 WWYWDJOWCFEVCT-UHFFFAOYSA-N 437.472 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740995038 YDPOSWYIBJUIHZ-ZWKOTPCHSA-N 435.594 2.160 30 10 IEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1741257289 FEJIWOLGGDYSRB-UHFFFAOYSA-N 433.516 2.221 30 10 IEEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1741374467 CQKHXQNNRPDUBE-XDNAFOTISA-N 446.552 2.155 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1742915453 WFDTZEIUOOXDFK-INIZCTEOSA-N 426.521 2.211 30 10 IEEE CCN(CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1746319713 BRGYERZBZCIDCO-INIZCTEOSA-N 427.509 2.326 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748820119 ZKEBPZQHLNYEKW-CRAIPNDOSA-N 436.965 2.184 30 10 IEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1748935960 HSIXPPQVOZECBA-UHFFFAOYSA-N 428.562 2.138 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc(C(F)(F)F)cs1 1748969260 RSRPVPVZVDYHIP-UHFFFAOYSA-N 442.467 2.010 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1748979749 LCVPWZIGEXEJGI-RUZDIDTESA-N 436.604 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCC2(C)C)CC1 1749011040 YRXWNBIGSFCTMA-ZWKOTPCHSA-N 426.565 2.021 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749029249 PFGWANLGXXBSKU-UHFFFAOYSA-N 438.557 2.141 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)CC1 1749119411 RRCMEUSEKBGWKH-HKUYNNGSSA-N 426.521 2.115 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1749201051 LLSKGMOPNPYDRI-IDYLYPCZSA-N 436.516 2.333 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749652362 MGMFFWHOLUFHDT-NHCUHLMSSA-N 433.560 2.299 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1749677011 KSRFEPCTXNDSLA-LJQANCHMSA-N 435.532 2.441 30 10 IEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749761779 HCTAGCQHCHPJRF-UHFFFAOYSA-N 441.648 2.368 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1760104618 BNSPJGOBCFDFBB-HOTGVXAUSA-N 432.546 2.245 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760180744 KOPQQFHXGQJJCH-FCGDIQPGSA-N 438.594 2.065 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760186991 BTINBJYIUMMIOL-KSFYIVLOSA-N 441.557 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(C(C)C)C1 1760207619 PUSQSPXSFPIRLD-LJQANCHMSA-N 438.601 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1c(C)cccc1C 1760210102 MOQOGQGXEGWTHW-IBGZPJMESA-N 443.573 2.047 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(C)C 1760249399 KRQNWUXNNQZZIL-LJQANCHMSA-N 446.573 2.102 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCC2)CC1 1760255731 OOIOQBKQTMAULH-LJQANCHMSA-N 439.585 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(Cl)c2)CC1 1760269551 LESHETXEDWXCPT-GOSISDBHSA-N 427.936 2.450 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760308305 AAEPMIQAPKQWSN-AWEZNQCLSA-N 434.404 2.151 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1760441216 ARBWCYCDMMMCGW-UHFFFAOYSA-N 437.548 2.214 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1)C1CC1 1760470611 XPDGHXULBDBIIG-GFCCVEGCSA-N 433.563 2.096 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760551392 DHZGBCHSVOYBGV-PMACEKPBSA-N 441.557 2.280 30 10 IEEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1760562300 DZRDVTRYOFQECE-IBGZPJMESA-N 440.573 2.307 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)C1CCC1 1760696942 MIYFPFJKBBAZKH-QGZVFWFLSA-N 434.548 2.419 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1764552882 ACTBNCUQKWGYNU-NOVUIFNWSA-N 429.546 2.059 30 10 IEEE CCN(CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766684537 LYMDZGXBIXRMIQ-KRWDZBQOSA-N 439.564 2.439 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@H]1CCCO1 1767087948 KVZXEXIDBLEPEY-UXHICEINSA-N 438.532 2.323 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1nnc(C)s1 1767573913 CKDVGAHVVXLQNH-AWEZNQCLSA-N 438.561 2.428 30 10 IEEE CCOCc1nnc(N2CCCC[C@@H](SCC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767904437 OGDDMQBVFIBMRF-DVSFIDLUSA-N 448.593 2.453 30 10 IEEE COCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1769177880 GRKCFYLECSHVRM-FQEVSTJZSA-N 425.472 2.035 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1769660492 VVWNHJKAEVCVOV-SFHVURJKSA-N 446.577 2.009 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1770204693 PWJHNPJDBYMPKA-SXWKCWPCSA-N 444.580 2.391 30 10 IEEE COCC(C)(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1770696170 NQXLBIQHLCHXJY-OAHLLOKOSA-N 430.509 2.187 30 10 IEEE N#C[C@H](COC(=O)CCCN1CNC(=S)NC1)Cc1ccc(Br)cc1 1850754079 NRQVORWHTZAFIK-CQSZACIVSA-N 425.352 2.149 30 10 IEEE N#Cc1cc(C(=O)N(CCCN2CCCC2=O)S(=O)(=O)c2ccc(Cl)cc2)ccn1 1851349757 KELQENZWVNKFJH-UHFFFAOYSA-N 446.916 2.450 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1snc(N2CCOCC2)c1C#N 1852370586 MFSHQZDXVDUGCG-CYBMUJFWSA-N 429.477 2.006 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c(C#N)cnn1-c1cccc(C)c1C 1852486469 UNEBYBXVYBLATD-UHFFFAOYSA-N 447.499 2.386 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1853098285 GUNHVADCSVWSRW-UHFFFAOYSA-N 427.578 2.158 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC 1862575451 XCDQTDUCFNHQKC-SFHVURJKSA-N 428.397 2.183 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)(C)C)cn1CCN1CCOCC1 1870444485 BMACGEYKMOWGPO-UHFFFAOYSA-N 447.576 2.075 30 10 IEEE O=C(NCC#CCN1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1889592240 BRACZURIOULVCW-UHFFFAOYSA-N 444.022 2.408 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891198420 QCWXXSGKVKHBGM-WMZOPIPTSA-N 439.541 2.427 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@@](O)(CNC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022913678 CZQOTUFABVZMJC-VVONHTQRSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)[C@@H]2C1 2060790325 OIDLTGZQGGJFEH-ANULTFPQSA-N 440.544 2.105 30 10 IEEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2126794669 HNCJOXCZQKOPKT-UHFFFAOYSA-N 443.357 2.173 30 10 IEEE C#CCn1ncc(NC2(CNC(=O)OC(C)(C)C)CCOCC2)c(Br)c1=O 2162399975 OVDRNZOBRGRECI-UHFFFAOYSA-N 441.326 2.125 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243416005 AGWXMLSTVXDZMM-OAHLLOKOSA-N 428.360 2.269 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247825281 BAGPIYYMXCQLRZ-STQMWFEESA-N 437.371 2.475 30 10 IEEE Cc1nc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247835798 QQFADAUJKDYSDW-GFCCVEGCSA-N 439.343 2.031 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247863459 RGURGWUOSGJCBL-HXUWFJFHSA-N 440.371 2.053 30 10 IEEE C=CC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2255701397 QPAUEIKQKJSOOF-UHFFFAOYSA-N 429.326 2.286 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2255861751 ORESQMYNBYMXKZ-UHFFFAOYSA-N 435.330 2.218 30 10 IEEE C[C@@H](CCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256063977 XWNKBUTXCDDALI-AWEZNQCLSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)C[C@H]21 2256720694 HCUVFYMPYXACCZ-BRWVUGGUSA-N 434.342 2.152 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267137679 SIYUZOVFVBZFMT-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267499697 XNJBMCMYKXQDPW-AWEZNQCLSA-N 448.373 2.047 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267519306 GVUYYDGQAFMUHK-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CC1(CCNS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)OCCO1 2267723601 WLEQSROJSOLARQ-UHFFFAOYSA-N 431.747 2.071 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2268631882 DLXIFHRAPIVLLM-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE Cc1cccc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282116018 YVWZZUCBECBYGQ-OAQYLSRUSA-N 449.404 2.498 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)ccc2Cl)OC1(C)C 2282488261 BKRZJTHBAXITKN-MRXNPFEDSA-N 443.758 2.165 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(ON2C[C@@H](NC(=O)OC(C)(C)C)CC2=O)n1 2315407545 MNOYKWKJSASXFK-HNNXBMFYSA-N 433.314 2.109 30 10 IEEE O=C(CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(O)c(O)c1)NCc1ccco1 2330949418 OJFNILQTPFMBRZ-KRWDZBQOSA-N 443.485 2.425 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1C 2337187778 JDABBXJAIGEHFU-CABCVRRESA-N 448.373 2.203 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 2337207623 CZGNUHJYPGZAEK-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE COc1nc(N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339787168 WOGHUWCENUVNBV-STQMWFEESA-N 441.259 2.131 30 10 IEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)cc(OC)c1 20528078 ZBSOQAZROGWOKU-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1 20827733 XPBQTAGBBOJXJJ-ODCIPOBUSA-N 441.521 2.149 30 10 IEEE C=CCN1C(=O)C(=c2sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)c2ccccc21 252670752 LPQVXPNBGTUMPI-UHFFFAOYSA-N 444.472 2.194 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 261434303 KWSOAYIEYVKSIM-YJBOKZPZSA-N 446.479 2.408 30 10 IEEE CC(C)(C)OC(=O)N(CCc1ncncc1B1OC(C)(C)C(C)(C)O1)C1CCNCC1 382584135 FFTJOMBUFLVCRL-UHFFFAOYSA-N 432.374 2.307 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncc(Br)cn1 431914895 WOIILWPHSPTVGU-BLLLJJGKSA-N 443.305 2.272 30 10 IEEE CC1(C)Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c(O)c2O1 436778021 PISFRYRIWPJOOX-UHFFFAOYSA-N 441.509 2.124 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)C2)n(C)n1 483462718 WRHRLIVGNZXHCG-NVXWUHKLSA-N 430.534 2.205 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)CC2)cc1 500968117 RBWPNDTXGJPVQE-UHFFFAOYSA-N 449.916 2.308 30 10 IEEE N#Cc1cccc(OC2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)c1 501888334 KQDVTAWVXUOUAZ-UHFFFAOYSA-N 425.510 2.256 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCCc2ccccc21 507523027 ASDUIDLEJHQACZ-GOSISDBHSA-N 437.525 2.494 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C)CC1 508193031 VURNQJOHVIWIHW-UHFFFAOYSA-N 446.983 2.213 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508480663 JBVINJUFTLIDGL-IHPCNDPISA-N 445.589 2.475 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508797577 OKQDOSUTGNKQLK-ZDUSSCGKSA-N 441.504 2.400 30 10 IEEE C=CCn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 508914844 VCEUAEJHYBZEBS-SFHVURJKSA-N 449.559 2.162 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H]4COCC[C@H]43)nnc12 536028089 DKHQMDCYXCWGPT-DOTOQJQBSA-N 439.541 2.350 30 10 IEEE C[C@@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 540200058 ANUGCSBQFJDBBJ-QITMVQFJSA-N 429.476 2.392 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3Cc3ccccc3)CC2)nc1 555150546 OANAWSXQFVMCRB-UHFFFAOYSA-N 442.527 2.156 30 10 IEEE Cc1csc([C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 561206350 QGZYQOJHKSIPOK-OAHLLOKOSA-N 434.525 2.397 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nc(C)nc(C)c1C#N 600822941 GZGORGPIODOTRM-LBPRGKRZSA-N 449.558 2.343 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 607721958 OZWZEQOBCWERMY-IBGZPJMESA-N 436.578 2.212 30 10 IEEE CCn1nc2c(cc1=O)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC2 610283764 PIUGBXLAMIXHRR-UHFFFAOYSA-N 434.500 2.191 30 10 IEEE O=c1nc(O)c(C#Cc2c3ccccc3cc3ccccc23)cn1[C@H]1C[C@H](O)[C@@H](CO)O1 725407965 GZRJCSBBVIKMPE-YTFSRNRJSA-N 428.444 2.296 30 10 IEEE Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 730404816 AHAIVIWZJYOBGR-IUXPMGMMSA-N 446.851 2.149 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732651136 XICHRZPKTSMFJZ-HXUWFJFHSA-N 430.574 2.452 30 10 IEEE CCN(Cc1ccccc1)C(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745498296 VMAFKTZAOPCJBR-INIZCTEOSA-N 443.525 2.096 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCn2ccnn2)c1 752526948 QAGVAGREYSLIRE-NKFKGCMQSA-N 433.538 2.083 30 10 IEEE Cc1ccc(N2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 764956488 RPZYSAOGSOWZPV-SFHVURJKSA-N 426.542 2.272 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 777756058 VGESSLBMZIJEJB-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2CC[C@@H]2CCOC2)cn1 783006888 OYXSJAGKNNXGJT-TZMCWYRMSA-N 447.483 2.330 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCc2cscn2)C1=O 790727212 XEFZCMUGRCAZMQ-HNNXBMFYSA-N 437.616 2.447 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccc(C#N)c(OC)c2)cn1 809944703 ZSSZOSJYVNHIGQ-QGZVFWFLSA-N 426.502 2.051 30 10 IEEE CCCCn1c(=O)nc(O)c2c1nc(COC(=O)[C@@H](C)Oc1ccccc1C#N)n2C 914679435 BEDNXFBOCQXAEP-CYBMUJFWSA-N 425.445 2.018 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)ccc2c1=O 920271933 CZVYOQYXOLFMRU-HNNXBMFYSA-N 440.500 2.084 30 10 IEEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1c(F)cccc1F 1084187053 RFKNHYURCUCAQW-UHFFFAOYSA-N 448.415 2.355 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]([C@H]3CCOC3)C(F)(F)F)CC2)cc1 1134510047 CDHPJCGWEMCRTQ-DOTOQJQBSA-N 445.463 2.043 30 10 IEEE Cn1cnc(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1Br 1157332275 JTUJUENDHIGXPV-ZDUSSCGKSA-N 428.331 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CCCCN1CCO 1158994743 LGSHLTHUOWIBDF-CTNGQTDRSA-N 442.560 2.356 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)C2)C1 1159909043 ONESAZFDXMNNGM-BAQZJKQNSA-N 439.578 2.056 30 10 IEEE C#CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCc2ccccc21 1198104458 OBHDHCZCQRWFHS-JOCHJYFZSA-N 425.554 2.006 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)c1ccc(F)cc1 1252431268 ISXXUFSXYYUWCC-FQEVSTJZSA-N 443.500 2.071 30 10 IEEE COCc1nn(C)cc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1264677043 PZQWAOCFLFKAHC-FCDQGJHFSA-N 433.534 2.412 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CCN1Cc1ccccc1 1265116199 VHTWZHDVIDLQKF-HXUWFJFHSA-N 431.456 2.085 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1286338066 DRHKRACSTWSUOR-UHFFFAOYSA-N 438.532 2.031 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC12CCOCC2 1286376050 DPXIVULKKGIIMD-ZWKOTPCHSA-N 445.564 2.473 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286387810 IMCHTXMOTXGAAY-VQTJNVASSA-N 441.557 2.259 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cnn(CC)c2)CC1 1286491262 KWFSWEZFGLMIKM-UHFFFAOYSA-N 445.571 2.408 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)C1 1286798668 MZYRHWOWXIWEKH-QGZVFWFLSA-N 448.568 2.162 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cccn2)C1 1286799637 YAUGPLJCKVPRSM-LJQANCHMSA-N 435.532 2.432 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC2)cc1C 1289742920 HPEXTLDEOPVFHF-HXUWFJFHSA-N 437.548 2.362 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1291290476 AKKYCIOXDUCBHS-BRWVUGGUSA-N 443.552 2.243 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1300630307 APOZOXYDUHDSOG-NRFANRHFSA-N 441.601 2.088 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCCC2=O)CC1 1300703238 CGWKHFULNPLSPT-UHFFFAOYSA-N 426.590 2.088 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1300914065 AYMQKYLVLWDPLJ-QGZVFWFLSA-N 426.583 2.026 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301152470 ZAFRLGPLGDCYSY-FVJLSDCUSA-N 438.594 2.167 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301164813 XNMZPENFTSIEDG-GOSISDBHSA-N 432.569 2.306 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N(C)[C@@H](C)CC#N)CC1 1301772105 ZZGFUGRHYOGWFE-INIZCTEOSA-N 445.518 2.050 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1302438556 IOINDALLDGSFJZ-GOSISDBHSA-N 427.530 2.175 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNC(=O)C1CC1 1302680545 GLLTVFQWFRTVLT-UHFFFAOYSA-N 425.512 2.265 30 10 IEEE Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)cs1 1304213456 LHFRBSMURCHGBY-QGZVFWFLSA-N 443.554 2.496 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1304855666 GZFJNSUKJIFAPO-LJQANCHMSA-N 427.553 2.330 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCCc3ncc(C(=O)OC)s3)ccc2c1=O 1306902822 RWLXOYCGBTUNIL-UHFFFAOYSA-N 430.511 2.087 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 1309088653 UQRWRBUDMAKTBQ-LBPRGKRZSA-N 447.376 2.305 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)c1 1309732363 WAQAWWGUZLIXLF-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1)C(C)(C)C 1310050697 MYPZJJQMKCCNAH-YJBOKZPZSA-N 435.546 2.430 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC[C@@H]1C 1315719877 RNSYICRMQKZXPF-MAUKXSAKSA-N 429.546 2.255 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1316284583 BAOAAQOECKKCMT-UYIIBVGGSA-N 447.486 2.491 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1358964639 CQSFBAFVYDWCGC-WMHRWZGDSA-N 428.558 2.470 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(N(C)C)CCSC1 1358979677 UFRXIVMEYXYCRA-OFNKIYASSA-N 437.569 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN(C)C(=O)OC(C)(C)C 1358983924 AXMVFQAQXYGEQV-UHFFFAOYSA-N 430.553 2.136 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1359008818 ATMXLJMAAHGSGQ-IAGOWNOFSA-N 432.546 2.116 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCC[C@H]1C 1359025719 XCBAYLMOECKFRX-DHJUGAMNSA-N 426.517 2.428 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359302133 XNBAVLXLBXKREP-MFEFFIJZSA-N 443.523 2.083 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(Cl)nc2)CCOC1 1360347441 IDCIBPYLBKPKSL-UZLBHIALSA-N 432.912 2.144 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1 1444641836 QUDZDQZNJVLFQQ-UHFFFAOYSA-N 444.557 2.122 30 10 IEEE COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)cc1 1472035954 QJYMVCGNRPVXEG-XOBRGWDASA-N 445.522 2.019 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1478854459 LZGOEWZASYUOCK-HKUYNNGSSA-N 427.505 2.164 30 10 IEEE C#CCN(C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)[C@@H]1CCOc2ccc(Br)cc21 1479369687 CYVXNSFKNSAOML-UHOFOFEASA-N 441.347 2.351 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)OC 1497386060 SQMRBOMTLUTHHA-NXHRZFHOSA-N 427.461 2.268 30 10 IEEE CCn1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)c1=O 1502235968 CZVJOQDSNVSDGV-UHFFFAOYSA-N 445.527 2.138 30 10 IEEE CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](F)(C#N)C1 1503263393 CXSKRVYWZSSIHT-FQEVSTJZSA-N 430.509 2.158 30 10 IEEE COCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1504829162 FNRQHCFVXLSYAP-INIZCTEOSA-N 436.310 2.385 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(CN4CCCC4=O)n3CCCCCO)CCO2)c1 1505317020 ICVHICXFVAQJAG-HXUWFJFHSA-N 438.532 2.013 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1507537345 HFOMGJKTMLLUJX-JKSUJKDBSA-N 444.557 2.345 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507571443 BDMPDELWHDDOQY-HXUWFJFHSA-N 430.597 2.314 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(=O)NC)C1 1507578761 AKQIVUFEZNKMON-AWEZNQCLSA-N 433.354 2.422 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-c1cnn(C)c1 1507658912 RNSKSODFTZZDQI-UHFFFAOYSA-N 429.528 2.328 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1507702125 GREBQXOPGAVVEI-HXUWFJFHSA-N 438.576 2.226 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1507773434 GLZWCJGNVVKWCX-JOCHJYFZSA-N 445.589 2.197 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)[C@H](OC)C1 1507803822 HEYSIFIPZFUVJC-KANFNMMFSA-N 435.569 2.028 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507846348 IVVMEOFMPMFIRW-UHFFFAOYSA-N 441.580 2.487 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncnn1CC(F)F 1507864467 WVSHCMNXEZXULU-UHFFFAOYSA-N 440.842 2.251 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1507958492 DMIKNTBGOPELLZ-KRWDZBQOSA-N 449.577 2.013 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccs2)CC1 1508084573 CMFQBEDMKQDCLE-UHFFFAOYSA-N 437.573 2.334 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCC[C@H](COC)C1 1508088157 WYFPILBAALHATO-SFHVURJKSA-N 427.549 2.433 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(=O)OC)C1 1508093495 CDYSCSYHWFZFJW-IBGZPJMESA-N 425.533 2.145 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCCC2)CC1 1508137309 MFWBVGUIRVVZPW-UHFFFAOYSA-N 430.578 2.006 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CC=CCC1 1513026375 KNRLCSVUXDWGDY-RTBURBONSA-N 435.580 2.430 30 10 IEEE CCN(C)C(=O)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1515313894 QZUPXVGVGSWXMY-OAGGEKHMSA-N 433.557 2.123 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccccc2)CCOC1 1516229066 PGDOIEWMGCVNED-KNQAVFIVSA-N 427.505 2.128 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)C[C@H]1O 1517691503 XVEKLNALUOLKDH-QZTJIDSGSA-N 429.546 2.319 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCC1 1519322714 UCXVPAQZTGFSSU-GOSISDBHSA-N 440.548 2.115 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(N)=O)cc1 1519427233 BJGWHLQLVBRECY-PMACEKPBSA-N 438.532 2.279 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1Br 1521128175 HYHQOTZQSCAFNY-OAHLLOKOSA-N 435.322 2.496 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCN3C3CCCC3)CC2)cc1 1531270059 HZIVARSJZXDCCV-HXUWFJFHSA-N 430.574 2.092 30 10 IEEE COc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2=O)cc1 1538674149 SBDQSHZPFPNNFI-KRWDZBQOSA-N 441.509 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCC1 1538983736 WFNAVEAIVPZEQD-KRWDZBQOSA-N 445.589 2.349 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539117493 ZMEKCKRGULOHFU-MRXNPFEDSA-N 426.521 2.162 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN(C)C1CCCCC1 1539413984 PUQMNWHDESTCSN-UHFFFAOYSA-N 442.564 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCOc2cccc(F)c2)CC1 1539484225 IADQVXDZHHHTDC-UHFFFAOYSA-N 425.508 2.415 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539497375 JQWCDVPWSGSANY-OAQYLSRUSA-N 446.598 2.335 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1539939857 KZBHCSNUYVKSPD-LEWJYISDSA-N 447.543 2.436 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539961333 UWJNEWLXJXBLOA-LJQANCHMSA-N 438.580 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1540869030 ZRCPQWNEDQXTGD-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE CC(C)(C)Cc1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541170457 STAVICYYSLNYIL-BZROSYFNSA-N 442.564 2.398 30 10 IEEE CC(C)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541389542 KDMPCGRRBRGEPH-RWNPKEDZSA-N 428.537 2.181 30 10 IEEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC(=O)N1CCOCC1 1546483717 BQQMPUNPMCWOAR-UHFFFAOYSA-N 438.532 2.009 30 10 IEEE CCC[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1546832270 AOWOUQWSAXRFOC-QRQCRPRQSA-N 444.536 2.088 30 10 IEEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1547074983 KHYOAYHQRCEGKQ-UHFFFAOYSA-N 448.531 2.220 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS2)CC1=O 1555584373 FNGPCGBAUPALBP-GOSISDBHSA-N 426.546 2.007 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1555785945 ZFFNORWIFHHOKM-NRFANRHFSA-N 440.548 2.066 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1OC 1556356366 VYPHJCFMFKOGBT-UHFFFAOYSA-N 444.536 2.172 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1564963684 CJMPAHVARZSIIG-IBGZPJMESA-N 441.509 2.346 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c1OC 1565644454 RVEPMJSTFUBQPK-OALUTQOASA-N 439.516 2.416 30 10 IEEE C[C@]1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCCS1(=O)=O 1565661515 FNOGLUVDWXGVMA-SJLPKXTDSA-N 440.363 2.125 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(C#N)c[nH]c3c2)cc1 1566375335 KTHFTVXWNWHZJC-UHFFFAOYSA-N 425.466 2.057 30 10 IEEE CN1C(=O)CC[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1=O 1570520305 WMGQIRBHFBHQQX-KRWDZBQOSA-N 436.493 2.166 30 10 IEEE CNC(=O)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccc(OC)c(F)c1 1584722365 BBHJZXPWNVWQDL-OYHNWAKOSA-N 435.496 2.117 30 10 IEEE CSCC[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1585476665 LTSSYGDCQHMZDL-KZNAEPCWSA-N 434.558 2.148 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1587831733 SNJCOEHUTVWZAX-IBGZPJMESA-N 443.573 2.371 30 10 IEEE C#CCCCn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893248 ABVUMGLMKFUZRY-QHCPKHFHSA-N 433.597 2.279 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCc2ccccc2C1 1588011686 IDJILIIGDHXRGC-UHFFFAOYSA-N 434.569 2.397 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1589590399 WHZQQVPLTKLRLU-MSOLQXFVSA-N 426.631 2.411 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1593757676 MJGFXYQZNOJVKG-UHFFFAOYSA-N 427.597 2.496 30 10 IEEE C=CC1CCN(c2nnc(COCC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1594437772 NHJLWBVVHNEEPT-UHFFFAOYSA-N 430.553 2.472 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 1595065000 GEHDJEYRGPWPDW-ROUUACIJSA-N 430.597 2.443 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1611994247 YKWVDHNDTLNZNY-WBVHZDCISA-N 439.520 2.058 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1617270765 XIUKFWLBNYVLHZ-INIZCTEOSA-N 429.546 2.423 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)cc1OC 1619190920 DFWUVWHRHOPOEY-HXUWFJFHSA-N 426.456 2.086 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 1621886812 HDEKYRIDLFOCLM-CYBMUJFWSA-N 449.298 2.191 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCc3nnc4n3CCCCC4)CC2=O)cc1Cl 1623903580 GDMYWOHNAFKTOB-OAHLLOKOSA-N 426.908 2.241 30 10 IEEE C[C@H](CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)N1CCN(C)CC1 1632752643 GSODAYGKHDFJDF-UTKZUKDTSA-N 441.576 2.145 30 10 IEEE C#C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(Cl)cc1 1635074897 LHLKYZHSBOFOHM-LJQANCHMSA-N 433.917 2.395 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CC1 1635160232 JPFIQDIKJQAHSA-UHFFFAOYSA-N 430.486 2.466 30 10 IEEE CCOCn1nc(C)c(C[C@@H](C)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C 1636271087 RWMNQFKIKAXGAJ-CVEARBPZSA-N 425.537 2.072 30 10 IEEE CCC[C@H](C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(N)(=O)=O 1639782805 MQAWBAHSHGWTJW-BIIVOSGPSA-N 432.333 2.073 30 10 IEEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1OCCN(C)C 1642373022 BRRKFQAHRKIDCY-INIZCTEOSA-N 430.530 2.113 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 1647847950 PPSXQWOBPQTTBB-WCCYLALTSA-N 429.540 2.366 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)c1 1648105273 QYBLDRCJMJKINX-QZTJIDSGSA-N 439.537 2.352 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)c(Br)c3F)CC2)c(C(N)=O)c1C 1650730514 DUWYQXRJVRVIHZ-UHFFFAOYSA-N 433.285 2.292 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)c(I)c1 1657128359 BSNQQQAYNOTFPY-UHFFFAOYSA-N 432.327 2.318 30 10 IEEE CC(C)CC(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1660843390 FAXCHYHHWBEPQR-UHFFFAOYSA-N 432.315 2.339 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(Br)ccc2C(=O)OC)n1 1668981949 DCNQBZINMQSQDG-UHFFFAOYSA-N 440.319 2.276 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2S(=O)(=O)c2cc(Br)ccc2C#N)O1 1669190227 ANFYMLDJWMBYNT-QOWREQOWSA-N 443.319 2.193 30 10 IEEE C#CCN(C(=O)NCc1ncc(C(=O)OC)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1676097117 QASVEAOEHQYVNC-UHFFFAOYSA-N 436.534 2.474 30 10 IEEE C#CCCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1678975465 HINHBLUVMGHPMS-HNNXBMFYSA-N 425.270 2.277 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 1682742307 FRMNLBSQALWOPB-UHFFFAOYSA-N 445.516 2.490 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)c1ccc(Br)cc1 1683681791 VUMWBOGYUOAETB-QAPCUYQASA-N 435.366 2.365 30 10 IEEE C=CC[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 1684648308 HJWAHNURIIJNBA-INIZCTEOSA-N 433.490 2.227 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1689973583 IIMRKSKVBXGSKD-IBGZPJMESA-N 431.500 2.199 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1690049926 MMMVXNOFOGMGLV-HXUWFJFHSA-N 440.569 2.308 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H]2CCCCO2)CC1 1690145987 CHFHDTUYOURWEM-UXHICEINSA-N 429.565 2.097 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690237809 AWVVDEQITQMYER-NZQKXSOJSA-N 439.560 2.468 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCCOC)C1 1690243744 OUJXCXHREZVDHC-HBFSDRIKSA-N 428.537 2.348 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1690265740 UGPUYSFCPQAXJV-QGZVFWFLSA-N 443.639 2.301 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(COC)c2)CC1 1690396698 JRNNPUGZCCOSHD-MRXNPFEDSA-N 433.578 2.485 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1692348629 BNQUVBHINAERRA-SFHVURJKSA-N 430.578 2.465 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1692851645 COVFHZKZVQFCLG-WZONZLPQSA-N 438.532 2.390 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)C1 1692853520 ODZRJNALUYJIRQ-HXUWFJFHSA-N 427.463 2.354 30 10 IEEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c(C)o1 1692958576 IFRHZGZBOZZYJO-ZSOFBXJNSA-N 435.550 2.036 30 10 IEEE Cc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)c1 1693163537 GTQCATWMOTURLO-KRWDZBQOSA-N 446.515 2.402 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694089810 GUEHPHHIGDYSCR-IOGQSSPCSA-N 441.580 2.383 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1696689003 CCOIFEHJYDVHAG-FQEVSTJZSA-N 436.541 2.207 30 10 IEEE COc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c1OC 1697537769 PHMBVUBSDFHAMH-KRWDZBQOSA-N 440.529 2.428 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccnc1-n1cccn1 1698231257 WFJYCQMQEBJHJG-NEWSRXKRSA-N 436.520 2.227 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1705477984 UXVSXHWENVMXCX-WDEREUQCSA-N 446.396 2.219 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705613554 JNFXQZSZQNWGKI-IBGZPJMESA-N 425.533 2.147 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)CC1CC1 1705620015 JJRBYLWMIWZXTG-IBGZPJMESA-N 446.548 2.386 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)s2)CC1 1705635447 YXZQXTOTJDJRKX-HXUWFJFHSA-N 435.981 2.449 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1705704197 RFUDTKGCCIERNL-UYAOXDASSA-N 443.596 2.207 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1705704750 YZRXGTSHCJQKCO-APWZRJJASA-N 449.552 2.147 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1705716466 LXDJKCVNWTXKLF-GOSISDBHSA-N 437.541 2.201 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705735925 YMAZRSLRHJWWLG-HBMCJLEFSA-N 433.597 2.312 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)CCOC)CC1 1705777730 LWTLLBVNDIUDSK-QFIPXVFZSA-N 438.536 2.111 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705789771 WPSASJJMEJTFER-UHFFFAOYSA-N 433.582 2.103 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705902399 DDQVWHODUASIGK-ZDUSSCGKSA-N 439.442 2.057 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1705934822 YJKWZCIWDNDSFP-UHFFFAOYSA-N 437.516 2.361 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1709373274 LLTLEIIWFWWUPP-AZUAARDMSA-N 427.505 2.149 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@H](C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1712543654 PZTGYDJFBWOWRK-OOADYSHXSA-N 446.552 2.155 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1722292507 JOWHHIOHMBPGJQ-KRWDZBQOSA-N 430.516 2.338 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722321303 CHJHUWMFLBQMRZ-IBGZPJMESA-N 427.553 2.020 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722363784 VMQWSTUTRQCQMQ-IBGZPJMESA-N 441.601 2.365 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(N2CCCCC2)c1 1722388248 XTRFDVCULXCOBU-UHFFFAOYSA-N 433.560 2.313 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOCC(F)F)CC1 1722435581 KZMWLELEBWYVPI-UHFFFAOYSA-N 433.459 2.101 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1722436296 CASAYOGMYXOWOY-FYYLOGMGSA-N 436.604 2.448 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ncn(C)n2)CC1 1722441821 NAJFNUCGSSQCBL-UHFFFAOYSA-N 448.575 2.221 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722625641 ZDZOWCYSHCIPNQ-HSZRJFAPSA-N 435.532 2.425 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722634718 IDXARPFWVSYKMV-AWEZNQCLSA-N 433.310 2.318 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722648693 VQWXSZWSDGFQFE-LJQANCHMSA-N 438.532 2.189 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CC1CCC1 1722699674 XGPYJHXMRYEUKS-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1722700558 MEPFRXJERPDWHE-QFIPXVFZSA-N 446.555 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(OC)c(O)c1 1722726517 CKUCUTXTOOSRRF-UHFFFAOYSA-N 431.518 2.225 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCO[C@H](C)C1 1722727511 JBDUNKLYMINJIP-APWZRJJASA-N 448.545 2.007 30 10 IEEE C=CCSCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1722738844 ANUUXYGUPNRZCW-DYESRHJHSA-N 435.594 2.051 30 10 IEEE CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCO)CCOCC(F)(F)F)COC1 1724044797 LFWYETMTMOLJED-UHFFFAOYSA-N 439.438 2.231 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CC2)cc1C 1724437544 DVBAFYBPZLWIKC-VPTFNQTCSA-N 429.546 2.114 30 10 IEEE Cc1nnc(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1726320023 RKMPRYVETQYPQP-RTBURBONSA-N 435.529 2.163 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1727092294 GQTFZJZCFFNLQH-LSTHTHJFSA-N 449.559 2.179 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)coc2C)C[C@H]1O 1729783071 QIJLWIUKTMHSPO-UYAOXDASSA-N 435.484 2.435 30 10 IEEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731191030 XNMGOUQHGNCMPL-HKUYNNGSSA-N 426.496 2.148 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740574569 MBSZXGQKZNVGPJ-ROUUACIJSA-N 446.577 2.134 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740582167 KYXIQUSPAPOZEF-PXNSSMCTSA-N 445.589 2.470 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCN(CC)CC1 1740604430 YZXQJJGTKPNGAT-UHFFFAOYSA-N 426.565 2.059 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCN(C)C1 1740644117 UGBAOJSXQCSVBY-NRFANRHFSA-N 448.354 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740646732 ANZDSFKARXJNGP-KRWDZBQOSA-N 445.976 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1740652926 RVBXUOFCEGZGAS-OALUTQOASA-N 444.539 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1snnc1C 1740680479 DGXZPCCDFZTGJD-UHFFFAOYSA-N 428.518 2.257 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(C)COCCO1 1740683582 LBBRWARFRISWCX-HSZRJFAPSA-N 436.516 2.022 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740710041 PGTHDHGKLZYDCC-GOSISDBHSA-N 430.622 2.191 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740720271 ZJJLCMNISKMHTK-MJGOQNOKSA-N 430.574 2.484 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2)CC1 1740796406 WGDZTAKNPZKIMT-UHFFFAOYSA-N 430.597 2.448 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740875663 HOSQOYYSOWJQCJ-WOJBJXKFSA-N 430.597 2.271 30 10 IEEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)s1 1742226544 HICNBMIHCDQREJ-UHFFFAOYSA-N 449.584 2.445 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1748809103 QETPYZZDUOBVQF-QGZVFWFLSA-N 432.546 2.290 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748819438 ORGNVAWEIGLUJI-DOTOQJQBSA-N 433.603 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1ccnc1C 1748847316 RTLRIOIVDNQNPF-UHFFFAOYSA-N 443.559 2.120 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)OC)CC1 1748979220 WFBHWVHAHMQSFJ-UHFFFAOYSA-N 443.548 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)c(F)c2)CC1 1749009329 OXVROFSTXAUNIA-UHFFFAOYSA-N 436.491 2.435 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OC)c2)CC1 1749032808 QGNKFBBZGAWIAQ-UHFFFAOYSA-N 437.573 2.380 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1749180514 CQRQPLPBSFMAPU-KNQAVFIVSA-N 427.505 2.149 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1749187796 NHKVOUZHKKCKQQ-UHFFFAOYSA-N 427.534 2.034 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749260455 QSFOUFKFZZVLNT-BEFAXECRSA-N 429.956 2.081 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@H](C)C1 1749749838 RUCJGDSBNBPIMW-QGZVFWFLSA-N 439.593 2.370 30 10 IEEE CC(C)OCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1751055624 WTIHYYSDUHRAIB-LJQANCHMSA-N 425.537 2.190 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)N(C)C 1760104345 XAMBPYDBHWVTSI-HUUCEWRRSA-N 435.619 2.481 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760147940 IQVSBOUHXGCOOP-CYBMUJFWSA-N 426.340 2.072 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189907 REXPLNHMWBAVGR-LJQANCHMSA-N 438.557 2.036 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCOC[C@@H]1OC 1760251354 YDFUPPOMJXMOHN-UNMCSNQZSA-N 437.544 2.419 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1760408605 PSOCGOGCCZZWBO-UHFFFAOYSA-N 447.561 2.358 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@@H]1CCS(=O)(=O)C1 1760480524 XPAFMJIKMRBRQA-IBGZPJMESA-N 429.546 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC(C)(C)C1 1760548285 CIZXBCHNOMAZOQ-UHFFFAOYSA-N 432.550 2.153 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nccs2)C1 1760551606 LTQPGFUHKQLESB-MRXNPFEDSA-N 449.558 2.482 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760557056 YXNJLCQEQVOCOM-HXUWFJFHSA-N 445.589 2.118 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCSC(C)C 1761234066 BPXSEGKBBYRNDU-UHFFFAOYSA-N 442.593 2.151 30 10 IEEE Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1761996724 VVEKAQMYBQXCMZ-SIUCFOQUSA-N 449.515 2.430 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 1768981174 DPIVFXAWMUFFLU-UHFFFAOYSA-N 439.545 2.195 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 1772792082 GPCDFLBDYZFJIO-HRAATJIYSA-N 426.425 2.471 30 10 IEEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2ccccc2OCC#N)CC1 1848556104 HXBLODNPPAZJDX-UHFFFAOYSA-N 432.484 2.136 30 10 IEEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1850322323 RFGTXHVNAHBWNI-UHFFFAOYSA-N 442.479 2.301 30 10 IEEE C#Cc1cc(C(F)(F)F)cnc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1851879114 ZZKRMVPFZPPBSW-UHFFFAOYSA-N 439.415 2.355 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)Cc3c(F)cccc3Cl)C2=O)C1 1857111948 NPDGAFVJFOEMJS-GOSISDBHSA-N 428.851 2.179 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674387 MXERGARYQOMJMR-HXUWFJFHSA-N 426.444 2.442 30 10 IEEE C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)CC1=O 1870149672 NGDHOWGFBZMTNI-HOCLYGCPSA-N 444.451 2.416 30 10 IEEE C#CCOc1cn(Cc2cccnc2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871005358 BRGLMWHTCWKOKS-UHFFFAOYSA-N 428.448 2.142 30 10 IEEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N2CCC(C(N)=O)CC2)n1 1871708782 BLTWMSIKANSYMJ-UHFFFAOYSA-N 438.580 2.491 30 10 IEEE C[C@H]1CCCN(C(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)C1 1872636662 AJRXXPYZXRCKCP-LBPRGKRZSA-N 429.502 2.310 30 10 IEEE COc1cccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)c1O 1874261926 ZGQZXLZYXPDJBG-LIMNOBDPSA-N 449.439 2.309 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(N(C)C)cc2)CC1=O 1874341607 OBJORTRFFFCTCP-NEIHUHTASA-N 430.578 2.425 30 10 IEEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 1875228480 QGLVHXCTVBQGSH-UHFFFAOYSA-N 437.500 2.106 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2ccnc(N(C)C)n2)[C@H]1c1ccc(C#N)cc1 1889339058 IMJSNMYWLRDKMB-WOJBJXKFSA-N 438.557 2.124 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3nccc(N4CCOCC4)n3)n[nH]2)c1C 1889736561 JCJGLVCJRUKKJQ-UHFFFAOYSA-N 436.520 2.023 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)c3cccn(Cc4ccccn4)c3=O)CC2)c1 1891294573 JKPPCHVLTRZXDS-UHFFFAOYSA-N 429.480 2.489 30 10 IEEE COC[C@@]1(OC)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172786611 UJUXQBSMQXCXDV-GOSISDBHSA-N 427.148 2.385 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnc2c1nc(Br)n2C 2180900701 VZBQALNGIJHMTQ-JTQLQIEISA-N 437.298 2.371 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2232320139 HCJRWMNCFOMJNK-GOEBONIOSA-N 447.341 2.328 30 10 IEEE CC(C)(C)OC(=O)NCCCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390606 XZTLYDPMXUSOFJ-UHFFFAOYSA-N 425.360 2.477 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256924922 PDCGXOASPXRUHV-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267013087 FBCNUTNPBODTAB-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2267140980 UPWJQNGAKRQQGR-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267173779 PGRJVQZODHEPHL-HOTGVXAUSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267266647 QYKDLZWDQKLHIN-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267477064 GYFNHTBFFBYCHF-OLZOCXBDSA-N 441.259 2.052 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267598973 IEBVMAXDGPGXQF-IRXDYDNUSA-N 445.369 2.167 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@@H]21 2267686544 HPBCBGOXJMJIQO-ALXJQNPVSA-N 444.337 2.287 30 10 IEEE CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CN(C(=O)OC(C)(C)C)C1 2267757950 HEBVUSVDENSZJU-UHFFFAOYSA-N 448.325 2.136 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2268643138 WMVOFHQGRZAVHP-GOEBONIOSA-N 447.341 2.249 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268656555 YHKGXZOUPHCWBF-RDTXWAMCSA-N 446.353 2.102 30 10 IEEE CCC(C)(C)N(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286035758 BWDLASPIJDJPDM-KRWDZBQOSA-N 439.534 2.188 30 10 IEEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1 2296576833 LMINHNQJGXSZNW-JOCHJYFZSA-N 449.507 2.400 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2312854996 MEKAYRFASDOCLH-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2312973507 BYZCEERRDZKFIE-HYVNUMGLSA-N 436.358 2.441 30 10 IEEE COc1nc(OCCOCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317549427 KUDDVSMYHZSXCK-UHFFFAOYSA-N 438.330 2.310 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2)cc1 2328369779 ABTUCCBPDZKKCI-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334262109 WFSQRWWQKJIQBB-IJEWVQPXSA-N 446.357 2.227 30 10 IEEE COc1[nH]c(=NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339787714 DSFRLEKVJAQJNC-CMJOXMDJSA-N 445.369 2.480 30 10 IEEE NN[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(I)c(Br)c1 2341622219 CIYNAGLEXBMWMR-DYNIEEOBSA-N 433.087 2.454 30 10 IEEE C=C1CC(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2364196285 YUMKGHCGHLEIQC-UHFFFAOYSA-N 434.514 2.183 30 10 IEEE Cc1c(C(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(O)n(C)c(=O)c1C#N 38616050 FPAGCMCENDILBR-CHHVJCJISA-N 443.481 2.494 30 10 IEEE COc1cc(OC)cc(C(=O)/N=C(/NCCN2CCOCC2)Nc2cccc(F)c2)c1 46134786 XEMYMYNMSXKAJG-UHFFFAOYSA-N 430.480 2.373 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(C)cc2)[C@H](C#N)C(=O)N3)CC1 72444753 WEWJEOQZYCJENC-DLBZAZTESA-N 435.484 2.082 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1 473378984 JUSGNQHAOMFBKP-UHFFFAOYSA-N 426.502 2.050 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475755632 IAAHBYYNNOWKDE-JLTOFOAXSA-N 430.530 2.492 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1CCN(c2ccccc2)CC1 484198682 ZXZDVZRSKVWPGM-UHFFFAOYSA-N 447.583 2.481 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 502166354 ADZMZKCNZFVXFB-IEBWSBKVSA-N 434.562 2.340 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cc2nc[nH]c12 503721736 LXESMIXYIHVMRF-NSHDSACASA-N 426.278 2.338 30 10 IEEE COc1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)ccc1C#N 515335067 UPRGYUUWKKYXNR-UHFFFAOYSA-N 436.921 2.306 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2ccc(F)cc2F)CCOCC1 535514541 QRDVNCCBBCUFFZ-HNNXBMFYSA-N 427.455 2.412 30 10 IEEE C=CCn1c(SCC(=O)N2CCN3CCOC[C@H]3C2)nnc1-c1ccc(Cl)cc1 541754864 CZDNYMZEJMGEBH-QGZVFWFLSA-N 433.965 2.420 30 10 IEEE Cc1ccnc(Nc2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)c1 585486354 YEVGFBWPOZAUSZ-UHFFFAOYSA-N 435.513 2.306 30 10 IEEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CC1 611091259 LKADJKYYOCKECI-SFHVURJKSA-N 440.569 2.297 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)C1 726174917 GFNNJGOOSDILJJ-MRXNPFEDSA-N 426.473 2.124 30 10 IEEE C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 727417777 BTKDDONGLVVSPT-LJQANCHMSA-N 430.921 2.215 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccc3)c2=O)cn1 732562712 IAPJVULFMPEWMW-UHFFFAOYSA-N 432.549 2.241 30 10 IEEE N#Cc1ccc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)cn1 734600203 YGTFCFVDZUSHGZ-QGZVFWFLSA-N 433.468 2.480 30 10 IEEE COc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1OC 742627621 JJOJPTYTMCGVCM-GFCCVEGCSA-N 433.486 2.168 30 10 IEEE CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 745812807 DLVYFXNJCGTJGK-DQRAZIAOSA-N 437.500 2.237 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCCc2c(C)noc2C)C1=O 754018158 QAEUZYROOVCFFT-YQMDHOPXSA-N 429.546 2.298 30 10 IEEE O=C(O)CSCCNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757472788 BIBLJWXXCQURGY-UHFFFAOYSA-N 438.505 2.463 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(C3CC3)s2)c1=O 761834632 CATGRECDIXWMRV-UHFFFAOYSA-N 448.573 2.323 30 10 IEEE C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(S(N)(=O)=O)cc1 777176472 LSNULKNPVJAWON-LSDHHAIUSA-N 441.509 2.312 30 10 IEEE C#CCCOc1ccc(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 780407796 DELRKOUHXNLLQC-QHCPKHFHSA-N 435.572 2.444 30 10 IEEE C[C@@H](NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1Cl 787052840 NSQUXSYVMOHSSB-MFKMUULPSA-N 447.282 2.023 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)[C@@H]1CCCO1 788829622 SNUYBCPGNXGRCI-ZGXWSNOMSA-N 441.528 2.150 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cc(OC)c(OC)cc1C 789968882 RUFPECOTJVZMMI-AWEZNQCLSA-N 430.534 2.489 30 10 IEEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 790712195 DBRVFIHETGCONA-QFBILLFUSA-N 444.557 2.217 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)n1C[C@@H]1CCCO1 802694341 GPXZNUUZSLQAHO-IBGZPJMESA-N 443.573 2.368 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 809926706 PZGTYLYYIMKENN-FUHWJXTLSA-N 443.552 2.500 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCc2cccnc2OC)C1=O 809945310 MUQWQFRPQGHZFB-KRWDZBQOSA-N 442.497 2.129 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCN(C)CC2)C1 816643617 KPKZNHGUCFQREA-SFHVURJKSA-N 432.590 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)CCO2 817524656 FIGUCGOPMDKCRV-QGZVFWFLSA-N 444.507 2.372 30 10 IEEE CCN(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)C2)ccn1 856543547 VPNFWBCFELJNSW-IBGZPJMESA-N 430.530 2.256 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCOc1ccccc1C#N 918840658 JLDNXJSIKMJNAT-UHFFFAOYSA-N 430.482 2.123 30 10 IEEE Nn1c(NN=Cc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccccn1 1083960164 GVBXKMBOMOZUGI-UHFFFAOYSA-N 447.322 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)C3(C#N)CC4(CC4)C3)C2)CC1 1136343693 HCWYXBPYESDYDU-KRWDZBQOSA-N 430.549 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCCN1CCN(c2ccncc2)CC1 1136462776 VRIPPKYRZJXJBJ-HXUWFJFHSA-N 444.580 2.297 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1139175469 GEFOWJGJPPSIAO-RBUKOAKNSA-N 443.500 2.253 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)C1 1153859127 MNYXFPMZPUSLIJ-GJZGRUSLSA-N 432.431 2.370 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C)c1cc[nH]n1 1164479983 NJTPIPKDYWAODC-RCCFBDPRSA-N 441.532 2.203 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 1211784383 HCIGMDGZOCDNSA-SJORKVTESA-N 425.482 2.064 30 10 IEEE CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)[C@H]1CN(Cc2ccccc2)CCO1 1223301343 HDGHAMZNCZIUHC-WOJBJXKFSA-N 428.533 2.154 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1224761192 FDUZHUKUQUZOHC-UHFFFAOYSA-N 429.848 2.423 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 1226082891 NIRNCXBQCPPKOA-HSZRJFAPSA-N 449.515 2.183 30 10 IEEE C#CCN(C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)C1CCN(C)CC1 1228204052 SNPZRNVHGVZONH-XMMPIXPASA-N 437.544 2.151 30 10 IEEE CSc1nc(O)c(C(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)cc1C#N 1262730188 MHARLIKMGJCTPR-AWEZNQCLSA-N 447.314 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1286291778 YGWQBSJNUSXXPE-HNNXBMFYSA-N 447.474 2.263 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1286420067 LEGNJUCANDEOMX-KRWDZBQOSA-N 438.557 2.075 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2ccco2)CC1 1286484084 HIVYCMJKXOYJBP-QHCPKHFHSA-N 439.491 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(C)(C)O)CC1 1286488512 ZZNLETSYCBWGMX-UHFFFAOYSA-N 425.533 2.081 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286547126 NHEPTDZDFSOUBR-BZSNNMDCSA-N 425.599 2.148 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1ccc(F)cc1 1286780209 CTZGJPFNBJZWOG-UHFFFAOYSA-N 437.479 2.393 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286781610 VMVPEBUYLIJIFU-QGZVFWFLSA-N 432.594 2.275 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCc2c(ccnc2N(C)C)C1 1286816973 JLNDVZNYOQYBTM-MRXNPFEDSA-N 432.594 2.416 30 10 IEEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1286953050 DEYZVEJJHSQLQM-NRFANRHFSA-N 431.500 2.316 30 10 IEEE CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1287742031 QDJCYQDECODFMR-UHFFFAOYSA-N 434.504 2.216 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)s1 1295233821 CAZJDDBYDSQPSB-CYBMUJFWSA-N 436.555 2.403 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1300345108 OUJNEAQUMDFSLQ-UHFFFAOYSA-N 426.521 2.227 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300411772 XCUUFZGZLASCNG-NHCUHLMSSA-N 442.608 2.109 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300506221 PQHQCSOBCRMOLF-SLFFLAALSA-N 449.621 2.021 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@H]1C 1300816428 NZQDMGXRWJVIBF-IMRHEYAYSA-N 426.517 2.398 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1301298179 ZSSFPBQIOKFPSI-GOSISDBHSA-N 430.578 2.154 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(F)cn1 1301808410 CLSZJTYZQDMHLU-UHFFFAOYSA-N 434.479 2.465 30 10 IEEE N#CC1(CNC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCOCC1 1305277218 WEUVZGHVBXLPFR-UHFFFAOYSA-N 433.452 2.200 30 10 IEEE COC(=O)C1(c2ccc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)CC1 1307571204 CUXJEDAAXKHYAJ-UHFFFAOYSA-N 439.537 2.269 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCC[C@H](C)C2)CCOC1 1314137961 HJIFEAPKHLGRSP-SFYKDHMMSA-N 446.596 2.169 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC#N)CC1 1314547974 FAFUZSBVZVIJMH-UHFFFAOYSA-N 446.577 2.413 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCCO1 1314728751 FAOVQLVZCIPCDZ-VQTJNVASSA-N 438.532 2.323 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1316284558 ALAXJPPVSCKYKF-ROWPZFDLSA-N 432.500 2.340 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316527319 KATHJBMZHNESBG-YJCBXQLOSA-N 439.426 2.053 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1316534032 MFAIOXKQDJCWFU-SFHVURJKSA-N 427.530 2.320 30 10 IEEE C=CCO[C@H]1CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1320039425 KMGZQOCTQYYXOP-IBGZPJMESA-N 433.574 2.027 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CN3CCC[C@H](C(=O)OC)C3=O)c2)c1 1354498905 IISCXKBOIKRZPP-NRFANRHFSA-N 448.475 2.223 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1358932790 WDFDSZMKWXXNBN-WIYYLYMNSA-N 440.617 2.333 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1358959277 FSUZMONOFDESIW-QGZVFWFLSA-N 435.509 2.393 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358967115 DQGVSLSJIVATIP-RBUKOAKNSA-N 446.573 2.217 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CC 1359002016 KLJPXWRUDFWPRM-GOSISDBHSA-N 443.621 2.490 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1conc1COC 1359017112 ULTRIOANEGRPSF-SFHVURJKSA-N 438.463 2.191 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1359240296 KTFIYQSAMFWKHY-LJQANCHMSA-N 433.578 2.038 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359296890 YAWKVFYKYOLICG-MSOLQXFVSA-N 441.532 2.270 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2nncn2C)CCOC1 1360323945 JQRWJZGZPVPOHO-JOCHJYFZSA-N 436.520 2.004 30 10 IEEE CO[C@@H]1CCn2cc(C(=O)NCCCc3nn(-c4ccc(C)cc4)c(N)c3C#N)nc2C1 1445148055 BWUJDOACYAFBLO-QGZVFWFLSA-N 433.516 2.155 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)c2cnn(CCC#N)c2C)cc1Br 1449762639 OUGKGXMCYVCYIA-HNNXBMFYSA-N 435.322 2.457 30 10 IEEE O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CC#CCN1C(=O)c2ccccc2C1=O 1458939085 XZTCSDJKXYFZSZ-NRFANRHFSA-N 441.365 2.296 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2nnc3n2CCCCC3)cc1 1465259592 YTBCOWZZCYVSTP-UHFFFAOYSA-N 432.550 2.475 30 10 IEEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 1467846704 IAIOQCRDTXHPNT-UHFFFAOYSA-N 433.461 2.275 30 10 IEEE C#C[C@H](NC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)C1CCOCC1 1469634350 HEJJQKSRSKLPKH-FQEVSTJZSA-N 437.537 2.097 30 10 IEEE C#C[C@H](NC(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1)c1ccc(Br)cc1 1470664386 ZFDPJMOKWSAIKZ-OLMNPRSZSA-N 425.323 2.179 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)NCCC2=CCCCC2)ccc1F 1472034179 VIGJCMBRVLNVNE-UHFFFAOYSA-N 437.537 2.369 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)c1 1474856966 RXTYLRCRJUZNSE-UHFFFAOYSA-N 440.399 2.390 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478566940 BMTSJNFAUYGEIO-GOSISDBHSA-N 429.521 2.215 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1478642780 VJYUJPHXZBOROI-NRFANRHFSA-N 428.577 2.085 30 10 IEEE CC/C=C\Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1499864411 WFYVDADVKCHLJA-UZQCKINESA-N 437.548 2.490 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1507612658 SZBWXSQKKJEBCA-UHFFFAOYSA-N 447.543 2.003 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1NC(=O)CC1(C)C 1507637244 OLADIPIIBMUZFH-LJQANCHMSA-N 432.528 2.135 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C[S@](C)=O)cc1 1507657555 UEEUJHWNIDEFHH-HKBQPEDESA-N 434.569 2.139 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccccc2OC)CCC1 1507712727 NGIVKOSBLGWQBZ-LJQANCHMSA-N 437.544 2.446 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1507723794 UYUYEVMPXOHCKD-GHTZIAJQSA-N 436.560 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)CCOC)CC1 1507740821 ZLGIKSBIACDHQK-UHFFFAOYSA-N 438.576 2.292 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2C)C1 1507753301 DTZUOVCPILAVIP-MOPGFXCFSA-N 425.558 2.482 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507951797 XLHOKPIPRBEHLM-UHFFFAOYSA-N 431.548 2.470 30 10 IEEE CC(C)Oc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cn1 1509825206 FHNHWDWAWHNULA-OAQYLSRUSA-N 427.484 2.073 30 10 IEEE CCc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)no1 1513733773 GJPVXSUXVCEVDE-YOEHRIQHSA-N 441.467 2.474 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@@H]1C 1517708692 BGCJMDQPPBMABN-INIZCTEOSA-N 444.561 2.209 30 10 IEEE CN1CCC(C#N)(NC(=O)c2cnn(-c3ccccc3)c2I)CC1 1521398345 DCRCAQYMMDDBMX-UHFFFAOYSA-N 435.269 2.195 30 10 IEEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1525707863 HDTNIPIWFPYNBN-VHSSKADRSA-N 439.434 2.400 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1529684272 QJNYPVYERQNMQL-QGZVFWFLSA-N 432.542 2.120 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1539046539 VTURNZJOYCBYFW-UHFFFAOYSA-N 443.573 2.358 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1539170639 AHXQADNHDJJLRB-UHFFFAOYSA-N 447.543 2.193 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccoc2)CC1 1539483490 ZIOHBNBCHFTPER-UHFFFAOYSA-N 433.512 2.485 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CC(=O)NC)CC1 1539580402 XYMMOVPAZAGUIW-CQSZACIVSA-N 444.374 2.263 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@H](C)C2)CC1 1539890249 LBOZBBBBGSSKRT-WDSOQIARSA-N 437.610 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540905429 WCUMNBKUQIMHIS-IRXDYDNUSA-N 437.635 2.450 30 10 IEEE CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541612313 FIHZKAXIMSZSGO-BSBNDGSWSA-N 440.504 2.316 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCC1 1552408722 FBGJYBIYSFANDK-UHFFFAOYSA-N 432.550 2.048 30 10 IEEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1554195725 GISXAZIQXTXTII-UHFFFAOYSA-N 428.543 2.487 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C1 1554405109 BTNSLIAMNJKJQQ-PKTZIBPZSA-N 440.548 2.098 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1554461912 UIIARUQPKVWREH-SFHVURJKSA-N 432.532 2.238 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1555267207 QHCXQYXCGRXVFC-INIZCTEOSA-N 426.418 2.486 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1555524340 DKNOLRRENYTOIN-HXUWFJFHSA-N 448.575 2.197 30 10 IEEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(Nc2ccccc2C#N)CC1 1560035850 JGPDDHYBANUSIP-HNNXBMFYSA-N 427.530 2.109 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1 1561505751 GPQZJWMYTBMJFL-UHFFFAOYSA-N 436.546 2.485 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 1565739477 KQCAJQWTEUKHGY-UHFFFAOYSA-N 430.448 2.014 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1587759135 PAJYFECECYPPQN-KRWDZBQOSA-N 427.940 2.408 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1587856859 SWKBLTQBFPMZJX-QGZVFWFLSA-N 430.530 2.349 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588051019 ZKBGMJYRPXUOAS-VQTJNVASSA-N 445.589 2.418 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1588059105 JFOXHZLTJBLHIN-FQEVSTJZSA-N 444.601 2.477 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1COCCO1 1588560558 RSWOYQBZMBMUQX-NRFANRHFSA-N 438.507 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2cccs2)N2CCCC2)CC1 1588892004 VNXFZPISGYHMAU-IBGZPJMESA-N 426.590 2.451 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2cccc(C)n2)CC1 1588930139 OKDFDIJQKPJTME-FQEVSTJZSA-N 436.560 2.084 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(CC)CC)N(C)C)CC1 1588968368 KDGYLKDDXYLLEP-NHCUHLMSSA-N 444.624 2.462 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](C)C1 1589027379 NAEBIQFQHRYXOH-OAHLLOKOSA-N 426.575 2.229 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC2CCOCC2)CC1 1589088906 LUHUDIPMLBUOHT-UHFFFAOYSA-N 440.617 2.179 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1589096894 HZYYYUMPBQAJSY-KRWDZBQOSA-N 427.574 2.105 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1593625412 VERLFHQOFOESRD-SFHVURJKSA-N 438.532 2.166 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1593718099 PXJWQGCUYXCELG-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1595418162 BXRXVGPRWOHAJU-UHFFFAOYSA-N 432.528 2.350 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@@H]2C)C1 1595753275 GGKCHFBIQYSZMW-RBUKOAKNSA-N 445.539 2.498 30 10 IEEE CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1596787283 BHHIVAPACVSAQF-HOJAQTOUSA-N 447.377 2.467 30 10 IEEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1612442764 MRSZHCJPPGOVOS-RXVVDRJESA-N 445.593 2.296 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)c1=O 1615732606 OVHHOQOJJAUWTF-IBGZPJMESA-N 434.500 2.184 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 1615837871 IFGABTRCVRCYCV-LJQANCHMSA-N 447.591 2.213 30 10 IEEE CCNC(=O)C1(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CCC1 1615920711 KDLUETGZQWIYSV-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)[C@@]2(C#N)CCCOC2)C3)CC1 1616450100 TVFMCQKLSHXPIV-SFYKDHMMSA-N 432.565 2.381 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2coc(C#N)c2)c1 1617136504 HYNLSAFZHIXXTB-UHFFFAOYSA-N 445.545 2.186 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C#N)cc1 1617371815 UENZGXNIPMCAKB-UHFFFAOYSA-N 441.561 2.121 30 10 IEEE Cn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCCO)c2ccccc2c1=O 1618488568 OJLHUPPERNREPC-HSZRJFAPSA-N 435.532 2.485 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc3ncnc(O)c23)c1 1624893059 RWBQMIFWWMFIPI-JJIBRWJFSA-N 425.470 2.401 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C#C)c2ccc(Br)cc2)c1 1625078362 WNIICKYQAMUJFI-SFHVURJKSA-N 431.311 2.465 30 10 IEEE Cc1cc(NC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c(C#N)cc1N(C)C 1625386001 CKHFLROVOFAHEH-UHFFFAOYSA-N 434.544 2.399 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(C2CC2)s1 1626565347 BLMYXEVSFWDBCY-CQSZACIVSA-N 433.559 2.329 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCC(=O)N2Cc3ccccc3C2)s1 1628113306 PPTOMJKRDPQGDY-UHFFFAOYSA-N 447.582 2.194 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1628632512 NDJRUAJGYHLPAI-IWGBCORSSA-N 425.529 2.426 30 10 IEEE NC(=O)CC1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1630367098 SHPONBBXBREHLW-UHFFFAOYSA-N 448.589 2.228 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1635630401 KCLJWHVXIICPMT-HZPDHXFCSA-N 435.525 2.478 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccncc3C#N)CC2)cc1C 1641268884 JDDSYIKVAWDOBZ-UHFFFAOYSA-N 430.555 2.195 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1)c1cc[nH]n1 1648555928 TUZTWRGRNJPTNR-UHFFFAOYSA-N 446.891 2.468 30 10 IEEE CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651220945 IXLBOGZBMDPISP-INIZCTEOSA-N 433.530 2.228 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)c1 1654726417 ARKOLUUZXVMIJO-UHFFFAOYSA-N 433.921 2.428 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)OCC 1655358392 GAZCPABQQLDAOA-GFCCVEGCSA-N 434.308 2.397 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1668874848 ACVIZEOAJWTJRE-INIZCTEOSA-N 432.525 2.084 30 10 IEEE C=CCCCS(=O)(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1670404319 PNPZLXONLGVHGZ-QGZVFWFLSA-N 431.599 2.462 30 10 IEEE C#C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)C1CCOCC1 1672932079 POULWLFYEASQBP-JTSKRJEESA-N 447.601 2.343 30 10 IEEE C#C[C@@H](NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)C1CCOCC1 1674597235 PKHHMOVPEHZJNS-SJORKVTESA-N 429.521 2.002 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)c1ccccc1 1686919848 NCGJPCCLECCDRF-INIZCTEOSA-N 447.280 2.287 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1689981818 BQHIXEUAPREJGW-HXUWFJFHSA-N 442.589 2.037 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689992085 GXDDNGIRLKDMJA-WBVHZDCISA-N 436.578 2.386 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1689993876 NABNXSNHJVDLND-MRXNPFEDSA-N 434.512 2.378 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1690059242 MFTPOROWLJXUDB-WMLDXEAASA-N 439.969 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(OC)CCC(C)CC2)CC1 1690145897 AMXYRYIJKRJFFG-WLBKGHODSA-N 443.592 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1690152827 ZAZFSTWRYLNPKX-UHFFFAOYSA-N 444.495 2.336 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690312880 FVDMZWQBPXWQIZ-XXBNENTESA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CCC)C1 1690665444 DKGHODLDSUNOGH-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690673793 DYYZMSGNTJXNTF-JOCHJYFZSA-N 441.532 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](COC)C1 1690717500 IAWRWEHJBBSCPY-KRWDZBQOSA-N 440.953 2.051 30 10 IEEE CCc1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694707326 AVAHIWMHQXATIM-UGNPLGLKSA-N 436.516 2.415 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1698006630 ZLLKVHNNASRGSK-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1705504751 CGLFAWJNVQFMFA-KURKYZTESA-N 447.580 2.438 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705530437 XNARYRLOEOHVGG-SFHVURJKSA-N 443.573 2.371 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705544085 YNVBZMGJPRCFPU-UYAOXDASSA-N 426.517 2.248 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1705563886 HMYBXNKNXOQEQI-OAHLLOKOSA-N 434.949 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCCCC1 1705598071 AQXIEIUPPGWWOH-LJQANCHMSA-N 432.590 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NC(C)(C)C)CC1 1705646274 CZNPMERJQWWXIZ-UHFFFAOYSA-N 440.548 2.117 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2ccnc2C)CC1 1705648679 WGVLDSPPAMHAEU-FQEVSTJZSA-N 439.564 2.081 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705895169 WFFNNJPBEZKTLS-IEBWSBKVSA-N 440.548 2.453 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1706659648 UHYCOJCBONIEMJ-IBGZPJMESA-N 446.577 2.008 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1710833988 CGXPOSQYRPKXOB-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712217185 CZFJGNHKHRDVQK-XUTLUUPISA-N 438.488 2.156 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722307020 YGHMYIYGQOCFKY-YVSFHVDLSA-N 429.487 2.344 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722364318 FSTBDUGLGMOWSB-NZQKXSOJSA-N 444.601 2.355 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1722365226 CSIOEYARONSVKM-AVRDEDQJSA-N 446.573 2.290 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722368826 WNJRQENVEYDBEM-NHCUHLMSSA-N 442.585 2.350 30 10 IEEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722407296 NJWTVZIZFUNEBQ-LJQANCHMSA-N 441.601 2.489 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722441047 FZSWKSMNOOMRMK-URXFXBBRSA-N 446.555 2.465 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccn(C)n1 1722526465 GAPAKSCLQKDQMM-UHFFFAOYSA-N 428.566 2.422 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@H]1OC 1722676967 PWVABLJWOVYAEG-YTQUADARSA-N 429.521 2.109 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1728628691 GTWWBLRINZHNRX-CVDCTZTESA-N 437.592 2.310 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740594922 FFHZBHSPWBHQJT-UHFFFAOYSA-N 449.607 2.226 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740672800 VGENGOMJLOXYDO-IBGZPJMESA-N 431.548 2.224 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1740797929 WRRNHXDNHFBIGQ-HXUWFJFHSA-N 427.549 2.279 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCCC2)C1 1740969718 ALNPYTPYCKERCE-RBUKOAKNSA-N 439.564 2.439 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1 1740995742 WGAZYNSSTJCSDY-HNNXBMFYSA-N 434.591 2.468 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741419257 HAERPFGAIUCINF-ROUUACIJSA-N 426.521 2.379 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1747324941 TXDZUCQCQWLZBL-LJQANCHMSA-N 438.532 2.356 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1748710572 UEDZUOMAKKCKJQ-KRWDZBQOSA-N 437.504 2.268 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1748777033 WMIJWLLDDHAXSO-HTXNQAPBSA-N 442.426 2.142 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748807857 CWIVJXICUUUAHJ-KSZLIROESA-N 432.546 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCc2ccccc2C1 1748829753 IYJQBRJMEIYBJX-SANMLTNESA-N 447.583 2.451 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCCCCC2)CC1 1748978676 QWAWPYATJDAPQT-DEOSSOPVSA-N 445.608 2.159 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCC=C)CC1 1749009390 QRHXKAOCIAPARR-UHFFFAOYSA-N 438.532 2.328 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1749234574 IEJRLHXMBRERIE-UHFFFAOYSA-N 441.580 2.181 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749280297 GNELWMPIHCGTCP-OAHLLOKOSA-N 426.304 2.214 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749645996 IKZBRXYNQJHJJT-UYAOXDASSA-N 432.613 2.373 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)N2CCCCC2)C1 1749718316 UZTZDUUMPZQJKB-UXHICEINSA-N 430.597 2.446 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1750068874 DSILEHJTOAVINA-OXQOHEQNSA-N 448.531 2.440 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)NC)c1 1760126524 AZYWHVYXZHDZOC-UXPWSPDFSA-N 425.533 2.062 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc(OC)c(OC)c1 1760193212 WUFSRFMLMBWKEI-UHFFFAOYSA-N 437.544 2.484 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1csc(C)n1 1760201635 HBAOCFSPDXFAPE-UHFFFAOYSA-N 443.536 2.272 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cc(F)cc(F)c2)CC1 1760264586 AGMXKTDOIYCDEV-RXVVDRJESA-N 445.514 2.278 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1760450116 DMMHMGRNSCXRGA-LJQANCHMSA-N 443.523 2.476 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC(F)(F)F)C1 1760540042 ZZZRWQRNMSHUQM-MRXNPFEDSA-N 439.438 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](C)C1 1760559182 KDUXGECQLYJXJL-SQNIBIBYSA-N 426.583 2.229 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc2[nH]ccc12 1761481778 CBPFONZDWLXDAA-VLIAUNLRSA-N 445.524 2.054 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1764145775 SEDCQIAUXISGDI-QFIPXVFZSA-N 441.536 2.236 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(C(=O)N(C)C)c1 1764844764 HXENQJZFXKRKBC-UHFFFAOYSA-N 445.527 2.320 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC2CC2)cc1OC 1765980410 DQOIJGHSNMHFQG-JOCHJYFZSA-N 442.495 2.321 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1766671343 PBGBTQXXDFRRIN-UHFFFAOYSA-N 443.485 2.058 30 10 IEEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)cc1 1768692199 MHPOIDPRUGGFBD-KRWDZBQOSA-N 426.521 2.478 30 10 IEEE CN1C(=O)NC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(F)F)CC2)C1=O 1768994635 CSSFNIGDKDNFMG-UHFFFAOYSA-N 443.458 2.383 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1770599102 BCQOEXUDRWIGEK-OAQYLSRUSA-N 437.592 2.458 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC(F)(F)Br)CCN1C1CC1 1770749486 ZGCMFNBZWAEJGK-GFCCVEGCSA-N 426.269 2.437 30 10 IEEE O=C(CN1CSC(=S)N(Cc2ccccc2)C1)ON1C(=O)c2ccccc2C1=O 1772788789 GVNXCYAAOSCPSE-UHFFFAOYSA-N 427.507 2.492 30 10 IEEE N#Cc1ccc(NC(=O)NCCN2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 1851128564 YHMOQMOTXRUBOJ-UHFFFAOYSA-N 444.543 2.423 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 1851133351 CVTUFQOKGLANFJ-UHFFFAOYSA-N 429.230 2.155 30 10 IEEE CN(C)c1ccnc(N(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2)c1C#N 1852266051 HONPZSYSCOZXFT-MRXNPFEDSA-N 427.530 2.356 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 1852328920 UDTZIVAAYYWMRX-UGKGYDQZSA-N 436.464 2.483 30 10 IEEE N#Cc1cnc(NC(=O)c2ccc(N3CCS(=O)(=O)CC3)cc2)c(Br)c1 1852740804 MYGOAKAPUJDPTL-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2(C)C)ccc1F 1854570774 ZTMRWAJGJKYYSX-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cnc(C)cn1 1856995809 UUNQUAARHYVXOW-MRXNPFEDSA-N 426.498 2.244 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 1857018546 JVMISOMYJGXDSG-HNNXBMFYSA-N 443.447 2.259 30 10 IEEE Cc1ccc(S(=O)(=O)CC(=O)N2CCCC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1857256694 IULHCZZKEFIKRJ-HXUWFJFHSA-N 431.558 2.302 30 10 IEEE N#Cc1cccc(NC(=O)c2nc(C(=O)N3CCC4(CC3)OCCO4)n3ccccc23)c1 1858241990 NCRNKXDRRGWWAJ-UHFFFAOYSA-N 431.452 2.437 30 10 IEEE CCCC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccccc1C#N 1867238426 XKNRCVOOVDTLGT-LJQANCHMSA-N 428.514 2.441 30 10 IEEE COc1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1F 1870109601 ZLNBMLCUYTWPPF-QGZVFWFLSA-N 448.458 2.333 30 10 IEEE COC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1C 1872797282 GFOZXWOYDCQCIZ-MRXNPFEDSA-N 443.485 2.145 30 10 IEEE C=CCn1c(C(=O)NCc2ccccc2F)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595579 JLYWYKUJAGDMGP-UHFFFAOYSA-N 436.491 2.388 30 10 IEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Cl)ccc1O 1874435742 VCZFYUWGRQJRTC-DNTJNYDQSA-N 425.898 2.201 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891143746 OSQMZGLWBJDROE-DLBZAZTESA-N 425.514 2.173 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(I)cn1 1988515477 MFWPNTAZAIWYPE-NSHDSACASA-N 430.246 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060623581 NLMLKDFVTQTLLJ-AWEZNQCLSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](C(=O)O)C1 2106601311 WNFKKFXWOWNXLC-SFHVURJKSA-N 446.353 2.492 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCNC(=O)OC(C)(C)C 2243384588 SCAZHMIKIUCISV-UHFFFAOYSA-N 425.360 2.347 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390502 WTOWQXNSFYYFSE-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2247837769 XPRCDRUVHFBCOV-HOTGVXAUSA-N 425.363 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(=O)O)C1 2254645228 LIEWHVJFBATDCJ-NRFANRHFSA-N 434.298 2.224 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2COC[C@@H]12 2255362844 IRWVSFZNRPRWFO-ARFHVFGLSA-N 431.342 2.109 30 10 IEEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255632726 QPKMFWXLLLGKEZ-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256624611 OECCZLGPHHNVMX-WBMJQRKESA-N 438.305 2.338 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938063 PQYVNRIVYQCMGD-SFHVURJKSA-N 444.362 2.362 30 10 IEEE Cc1c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266989670 HWBFPNLIOPJTJT-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE Cc1c(C(=O)NCC2(N(C)C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267192033 LDOPYZOSHCZPGY-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE Cn1ncc(C(=O)N[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267515119 JWDCGBCYMYCGMD-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 2267529950 RUZSZYHKDXOADR-QFBILLFUSA-N 438.381 2.278 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)n1 2267547773 NHQSEZZENJNMNB-SJLPKXTDSA-N 440.353 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267589672 DGVHAZKCABMINX-HNNXBMFYSA-N 446.357 2.151 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267610090 XSIBDNADHWNKMG-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)OC1(C)C 2267873977 VGXHCLKRHOGNPY-OALUTQOASA-N 434.349 2.122 30 10 IEEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268635045 MXMVTEFTBPAEMA-RKVPGOIHSA-N 448.369 2.437 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2282173750 LRIHUXRTXVQXPO-VQTJNVASSA-N 448.376 2.370 30 10 IEEE CCOc1c(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cccc1OC 2322614637 JXJTVKDKPFJDTN-CYBMUJFWSA-N 440.909 2.110 30 10 IEEE CS(=O)(=O)C1(C#C[C@@H](NN)c2csc(Br)c2Br)CC1 2342089803 KIVVJEDOHJRVOX-MRVPVSSYSA-N 428.171 2.358 30 10 IEEE NN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1cc(Br)ccc1I 2342534482 NQJQFPBHUFPTLM-RFVSLCSESA-N 433.087 2.454 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)c1 20293090 GLIWVBWMZYPKFC-SSDVNMTOSA-N 442.501 2.439 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)cc1OC 20807089 VUMHZEAFLWAMLH-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N 21319822 KNKRPMPYWKFUNZ-KEBDBYFISA-N 442.461 2.086 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC(=O)NC(C)(C)C 31218680 XUBZPXVYRLHTLW-UHFFFAOYSA-N 426.311 2.471 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)CC2=O)cc1C 96351105 ZLDKDECSTCBFRM-HXUWFJFHSA-N 430.508 2.354 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1ccco1 102559645 HADNUOLGPNWLHZ-CFBLSMTOSA-N 436.258 2.473 30 10 IEEE COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(O)c2Br)cc1OC 169905868 MAPUZLFRCWTQJW-GIJQJNRQSA-N 445.291 2.493 30 10 IEEE COc1c(I)cc(I)nc1[C@H](N)CC#N 238417064 XPHIMLYPIMQYQK-ZCFIWIBFSA-N 428.999 2.213 30 10 IEEE O=C(Cc1ccc(F)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254752750 OHRGGHIRDVXVKE-MAUKXSAKSA-N 448.497 2.399 30 10 IEEE C[C@@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)n1cnc(C#N)n1 409775076 QAKRIJNVZHQHNG-BUXKBTBVSA-N 445.451 2.298 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)O)CC1 485670786 XIVZFQLZXDAJRW-UHFFFAOYSA-N 434.436 2.362 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 507710143 VPVVMBYZFTZZRC-NCMKUFGYSA-N 431.625 2.371 30 10 IEEE Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)nnn1Cc1ccncc1 509082455 WHUOCTPYZZGMOC-SFHVURJKSA-N 433.497 2.055 30 10 IEEE N#Cc1ccc(CN2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)cc1 513172337 FTRCSQVKZWDJQG-UHFFFAOYSA-N 425.920 2.401 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1-c1ccccc1C#N 515657272 OOPPFPXVYPNCCT-UHFFFAOYSA-N 442.544 2.362 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1-c1ccccc1C#N 518212168 KGWDQAVAMRBJJU-UHFFFAOYSA-N 440.528 2.193 30 10 IEEE COc1cc(OCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1[N+](=O)[O-] 523356621 AHESKZFUBFVRNE-KRWDZBQOSA-N 442.453 2.394 30 10 IEEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1cccc(Br)c1C#N 561530712 XLBQUWBJJLRIMO-RYUDHWBXSA-N 431.308 2.052 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1 581399181 BCGPGYSREQZBBL-HXUWFJFHSA-N 426.542 2.007 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cc1 603986277 HHDKOFVYBULDCV-UHFFFAOYSA-N 442.515 2.290 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(F)c1 609233576 MXLZHJVSQUCYJL-UHFFFAOYSA-N 437.518 2.350 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 611768642 CZSRZJYFFMGEGN-UHFFFAOYSA-N 427.408 2.348 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732673125 VSNUEVCJSAHNAI-PXNSSMCTSA-N 431.334 2.095 30 10 IEEE COc1ccccc1NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732707666 ATEVYEWVQQKVID-IBGZPJMESA-N 447.495 2.085 30 10 IEEE C[C@@H](COc1cccc(C#N)c1)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 733862439 XWLZGHSGEBMQOJ-OYHNWAKOSA-N 433.464 2.344 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1OC 736273215 XQDWJBUXCIBBFO-HOTGVXAUSA-N 426.535 2.259 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@H]1CCCO1 743727350 ABRNUEHOXICPSW-OAHLLOKOSA-N 431.583 2.362 30 10 IEEE COc1ccc(CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1C#N 747432589 PNVGIDHMFHNONL-UHFFFAOYSA-N 431.500 2.120 30 10 IEEE N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CCN1C1CC1 748948842 NAATWKHZWUZJNO-FQEVSTJZSA-N 439.541 2.369 30 10 IEEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(CCc4cccnc4)c3=O)cc2s1 755049933 ZEXNYYUBTJSUIK-UHFFFAOYSA-N 429.530 2.492 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2C)n1 764567755 VJNAERAFXQUHOI-MRXNPFEDSA-N 432.440 2.320 30 10 IEEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 764975906 BUDLRECKZZGMSU-UHFFFAOYSA-N 439.537 2.318 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cc1F 766418232 ZCKMDYOFKWCPAQ-GOSISDBHSA-N 444.536 2.124 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(N2C(=O)N[C@]3(CCSC3)C2=O)c1 771923267 XBQGUXMGKOORFX-JIVYGXRASA-N 436.559 2.212 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 794838405 OBSCVKPTERSOOR-ROUUACIJSA-N 426.494 2.037 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCOc2c(Br)cccc21 800707825 WAMQSAKSTYGXAC-BVFVFODLSA-N 435.278 2.098 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 806866919 FURGGZSXVNVBFI-LJQANCHMSA-N 443.548 2.274 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1)c1ccc(Cl)cc1 810472087 CGXKJZYIZOCOJJ-MRXNPFEDSA-N 426.889 2.467 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812266963 HKFAQSPNOXUUEZ-RBUKOAKNSA-N 448.976 2.328 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc1 814417766 MQRHXSPEKFSMMR-HNNXBMFYSA-N 438.484 2.184 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)n1 856713266 GPOMDXPPCLQOFU-IBGZPJMESA-N 449.305 2.241 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNC(=O)c2ccc(OC)cc2)n1 912733882 NBAXMPCOVUFKRX-UHFFFAOYSA-N 444.542 2.177 30 10 IEEE C=C(Br)CNC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 921124746 NCBYMWVGOGZJDH-UHFFFAOYSA-N 428.327 2.448 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)NC3CCCC3)n[nH]2)cc(OC)c1OC 1084003255 WCXKVXZPLAQAJV-UHFFFAOYSA-N 434.522 2.427 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)CC2)c1 1182559851 DAVUONUXVAUANP-WOJBJXKFSA-N 427.501 2.436 30 10 IEEE COc1ccc(-c2csc(NC(=O)[C@H](C)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1198070737 DJEUOYPPAYJURE-KPHUOKFYSA-N 446.554 2.016 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1 1200648045 HMMFJGMSWBKWFA-UHFFFAOYSA-N 449.920 2.144 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3(C4(O)CCOCC4)CC3)CC2)c1 1251167143 VVJTUYMNMFTXOR-UHFFFAOYSA-N 426.517 2.240 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 1252189648 FHLOGDAKNJSCJG-PHSGOXPASA-N 432.590 2.271 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 1276788105 GWDVCIVHZWGPAA-OAHLLOKOSA-N 428.514 2.357 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCO2)c1 1286310852 GWCSBGDWGUCFTN-NRFANRHFSA-N 430.512 2.499 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCN1CC 1286400532 BKTDCGRAXORSJW-FQEVSTJZSA-N 439.585 2.296 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2 1286415201 LODJBHZZNVRQMF-UHFFFAOYSA-N 441.919 2.352 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSCC=C)CC1 1286473545 PFEUGCINVMMFLO-UHFFFAOYSA-N 445.614 2.023 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1286538338 ONAGGVVVMRWEIJ-OAHLLOKOSA-N 436.358 2.141 30 10 IEEE C=CCn1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286777721 KEQAWUMEFXNDMS-JKSBSHDWSA-N 433.553 2.419 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2F)C1 1286809006 FYHFYUITHDJIDL-ZWKOTPCHSA-N 434.537 2.457 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1287090071 WCTLFEKOTFYNDS-VNTMZGSJSA-N 447.580 2.369 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CCN2CCOC[C@@H]2C)cs1 1290404999 NLZGJFHOEIWEGC-INIZCTEOSA-N 429.594 2.485 30 10 IEEE C[C@H](CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)CN1CCOCC1 1293931681 ABBUWDNZYCOLIU-UTKZUKDTSA-N 442.560 2.477 30 10 IEEE CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1294656183 FUMYOODVRRUUKO-RBUKOAKNSA-N 434.610 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccs1 1300300503 ZULXMJDSCVRKSQ-AWEZNQCLSA-N 429.575 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCN(CC)CC1 1300314703 ICKXXQPSMSYVOT-LEWJYISDSA-N 448.619 2.248 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)Cc1cccs1 1300410683 PRFUSDILHUSBCI-GOSISDBHSA-N 449.602 2.279 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1300430183 IYYWNLBWYYFTQY-OAHLLOKOSA-N 431.924 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCc1cnn(C)n1 1300578377 LQVAXKOYVXUBSX-NRFANRHFSA-N 431.500 2.015 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@@H](C)C1 1300635573 QXSIPHOHQNNGPY-SFHVURJKSA-N 444.605 2.230 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300868581 FPOCDLCVTHICIL-SFTDATJTSA-N 445.589 2.220 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cccn2)CC1 1301237718 WBSOUISVOJBVSK-UHFFFAOYSA-N 427.553 2.220 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C 1301368222 ZFFZLLMTXVERDG-NHCUHLMSSA-N 430.597 2.113 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301492655 MLTGMRZMIMXCHZ-MSOLQXFVSA-N 441.532 2.412 30 10 IEEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)cn1 1304348040 ANBCJDDZANJUHS-INIZCTEOSA-N 439.545 2.148 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1306740342 LHWRQSNTVLWUCW-INIZCTEOSA-N 436.520 2.324 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1314118579 DQKMXGQALJUXHD-XZOQPEGZSA-N 444.580 2.367 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1Br 1348988564 DZVBZKHVFOMHJQ-UHFFFAOYSA-N 433.350 2.481 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1352872299 QYHZRYQLCCSIRN-UHFFFAOYSA-N 442.523 2.290 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1358885391 JHBCPPCWJBZQRG-CQSZACIVSA-N 436.907 2.200 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(COC)CCOCC1 1358973729 CXYDLDZVINRNIW-UHFFFAOYSA-N 438.528 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCC2)nc1 1358984252 NVTZYJGAGYZECQ-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccc1F 1359024149 GIRSJLSMHOXRQR-QGZVFWFLSA-N 448.564 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC2CCN(CC)CC2)CC1 1359047865 WISPACYBXZDJOJ-OAQYLSRUSA-N 442.608 2.217 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1359052720 OBKCYBNLIJJPHF-QFIPXVFZSA-N 444.557 2.324 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCCS(C)(=O)=O 1359074278 XJQVYHLSBOJFFL-OAQYLSRUSA-N 432.546 2.293 30 10 IEEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359127187 KMSQHBYCCNTVAU-FQEVSTJZSA-N 447.605 2.494 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359242091 PGDSIBYRQRIVFI-IEBWSBKVSA-N 430.578 2.090 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359295385 ZONHAZUSFFEGSJ-ZBFHGGJFSA-N 444.536 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)NC)CC1 1359297052 CRZYYKXQCDWYLX-UHFFFAOYSA-N 430.940 2.253 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2C#N)C1 1437998239 DONKZHCASKBPHR-HNNXBMFYSA-N 434.518 2.099 30 10 IEEE Cn1nc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1NC(=O)OC(C)(C)C 1458003148 OFUKIILHMCFHPL-UHFFFAOYSA-N 443.460 2.285 30 10 IEEE N#C[C@]12CN(CCC(=O)N[C@@H](c3ccccc3)c3cccs3)C[C@H]1CS(=O)(=O)C2 1460879143 HMRVMXWBQJJOHK-DZFGPLHGSA-N 429.567 2.214 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 1464023544 CQJXFLATDAPNBG-UHFFFAOYSA-N 428.485 2.221 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)=NO2)C1 1464701942 OYKRXSQYCQKJRC-UHFFFAOYSA-N 443.479 2.112 30 10 IEEE CCOc1ccc(C#N)cc1NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1465380955 BMXRUELOCWCMNJ-UHFFFAOYSA-N 436.465 2.286 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1466691224 XVHWEOPLIPHHTA-GOSISDBHSA-N 435.546 2.149 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1467737950 QFIJPCHSNWLJFO-CYBMUJFWSA-N 427.498 2.498 30 10 IEEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1F 1470383665 XZXHLBMGVJCCCT-SECBINFHSA-N 436.241 2.050 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)C1CCOCC1 1475515711 XNEIJAVILUSLQJ-INIZCTEOSA-N 432.336 2.181 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)SC)CCN2C1=O 1502213632 IEKJBUAYNHVOJH-YOEHRIQHSA-N 439.545 2.041 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1505237638 VJMIZIDGCHOXMV-NFSBEEMKSA-N 434.566 2.234 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(C)(=O)=O 1507607317 QHUFMSKLBHKPJZ-UHFFFAOYSA-N 431.743 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(F)c1 1507660482 VNHKGVHLSNVKIT-QGZVFWFLSA-N 431.537 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC 1507669632 ONISOILGIAAWGH-HXUWFJFHSA-N 440.569 2.399 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)CC=C 1507702303 SVRZGASVEFSMFJ-GOSISDBHSA-N 432.521 2.162 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC=CCC1 1507703594 CFCWCSNQOSGQLO-UHFFFAOYSA-N 433.354 2.384 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507840846 UJVFIPDVELXDIG-TZIWHRDSSA-N 426.565 2.480 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507847002 DDWFMEJVNNDQTN-UHFFFAOYSA-N 444.624 2.348 30 10 IEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1507935028 LUYPWKSVRRWTSS-HXUWFJFHSA-N 441.532 2.442 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1508070989 HJNHZGBCKIEVHT-GOSISDBHSA-N 426.521 2.069 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1508141461 NANCAVSZEFEBMJ-WMZOPIPTSA-N 448.593 2.020 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c(C#N)n2)cc1 1529520269 FDYJGEDRSBCIMF-UHFFFAOYSA-N 434.275 2.160 30 10 IEEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c(Cl)c1 1539130895 AAONBOCJOADHGH-UHFFFAOYSA-N 445.928 2.426 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc2c[nH]nc2c1)[C@@H]1CCS(=O)(=O)C1 1539202379 HOLZQZAPVDMANJ-GOSISDBHSA-N 426.546 2.147 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539216959 YGEAOHVSFBPBNJ-SFHVURJKSA-N 444.605 2.164 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539220974 MTDQDCRHSIBVDR-SQNIBIBYSA-N 438.619 2.432 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cccc(C)c1 1539413547 MPMCMVFDOWISFD-FQEVSTJZSA-N 425.533 2.344 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCC2)CC1 1539429617 BOVOHZUSYYHTPL-LJQANCHMSA-N 426.540 2.408 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539751533 OZCYZZVSMFZHGI-QGZVFWFLSA-N 429.496 2.367 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1540126877 MAPQDIWVPIAJBT-FDDCHVKYSA-N 425.533 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1 1540866213 GZPFPBCCVHSIIH-UHFFFAOYSA-N 442.873 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1540868276 YRIZEWLOBLHWLD-INIZCTEOSA-N 439.495 2.168 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1540874570 LHDIPIGSYORIGQ-OALUTQOASA-N 425.533 2.331 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(C)(=O)=O)C1 1540894739 DTGRDWONXAWSKL-SFHVURJKSA-N 434.562 2.300 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1540894973 IHDCYEGPALWNSX-KKLQWCBXSA-N 428.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCOC1 1540897641 OIIDLBOVFODHBD-WBVHZDCISA-N 438.525 2.383 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1540911535 VBEONESTPXATHQ-HOTGVXAUSA-N 426.550 2.454 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1541999491 CDJYNIBRCJPZKA-DYESRHJHSA-N 435.594 2.251 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)c1 1542741337 HDXVCHXFISKYFF-BGYRXZFFSA-N 431.602 2.114 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC12CCC2 1544331358 DEKJGLWZVBZVGM-MRXNPFEDSA-N 428.562 2.382 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1545494648 GMTOYTDBROHODF-HQEVYLJUSA-N 438.536 2.393 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)c4cccc(O)c4)CC3)n[nH]2)c1C 1545714254 UICNSECOUSNNPR-UHFFFAOYSA-N 434.500 2.380 30 10 IEEE COCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1555498419 FESNXIVPZVSRDQ-UHFFFAOYSA-N 438.561 2.264 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1 1558835975 MMBYVVSNNZXCTF-MRCUWXFGSA-N 427.892 2.160 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)s1 1568009638 YEBTUGZWKBBNJI-MRXNPFEDSA-N 448.570 2.178 30 10 IEEE C=CCC[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OCC 1569184728 YCCZIVMXNLRYTI-FQEVSTJZSA-N 447.557 2.428 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)CCOC1 1585022832 VOMLUMMECINMEO-VWLOTQADSA-N 449.507 2.227 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1587661957 KBIPVJKYTIDRBA-NFBKMPQASA-N 447.587 2.499 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587888623 IEBSWKLJYAAAKN-RTBURBONSA-N 426.517 2.193 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588064193 CNBRQBMNAQTVSG-INIZCTEOSA-N 447.611 2.370 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1588387159 RPXBMONJLUOOIZ-HOTGVXAUSA-N 444.557 2.020 30 10 IEEE C#CCC1(O)CCN(C(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)CC1 1588764599 ATKQMGVBQWONCC-HNNXBMFYSA-N 449.345 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C2CCCCC2)N(C)C)CC1 1588968322 ICXUTPLUHCWXRR-OAQYLSRUSA-N 444.624 2.291 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1 1589116712 LIOMQLMLGWEJJF-UHFFFAOYSA-N 443.573 2.337 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1595156145 GVALTJMNJPGKQC-HZPDHXFCSA-N 428.562 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595496729 FNJLMZJUDSBCQR-QGZVFWFLSA-N 437.504 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1595506568 FBORWXQRARWODH-UHFFFAOYSA-N 447.543 2.280 30 10 IEEE Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1612546373 AMFTYMSSISHTNI-VXPUYCOJSA-N 439.476 2.436 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCCC1 1613594182 CVVHBEIYMMTXQE-LJQANCHMSA-N 431.585 2.190 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)CC1 1615578107 OLENRSSUQSMOJT-DHIUTWEWSA-N 440.588 2.275 30 10 IEEE C=CCCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1622332652 QCXUMGAOIXYBRJ-QWHCGFSZSA-N 428.473 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1631995510 XMUTTZQCHFVYNT-AWEZNQCLSA-N 439.509 2.500 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)C1 1638075591 SOMDBEYDVSNXIW-SFHVURJKSA-N 436.541 2.287 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3C[C@@H](C)O[C@H]3C)nnc12 1641647940 LMWVVQUQFWXSRR-ILXRZTDVSA-N 427.530 2.252 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)CC1 1644431970 MEVLREYFYLKRSX-SWXULQHASA-N 432.609 2.437 30 10 IEEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)n2ncc(C#N)c2N)c1 1647920728 NIQWGHMTMFRUJP-UHFFFAOYSA-N 425.470 2.168 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1651505990 KXQSOJMVCYPGBF-CEXWTWQISA-N 449.592 2.458 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1653634678 FUQLFEIZESYLBS-NDEPHWFRSA-N 425.938 2.316 30 10 IEEE Cn1c(SCC#CCN2C(=O)c3ccccc3C2=O)nc2cc([N+](=O)[O-])ccc2c1=O 1656439719 MNDQDUXAYUYFRP-UHFFFAOYSA-N 434.433 2.233 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)cc1 1665969782 QKFMCKSQIUPZRV-IBGZPJMESA-N 430.486 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)CC1 1672541794 AVTUOAGVDJYSGI-KRWDZBQOSA-N 431.541 2.218 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)C(C)C 1675584697 KIRHLDZADRJQNX-OWCLPIDISA-N 425.517 2.302 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CN(c4ccc(Cl)cc4)CCO3)CC2)c1 1682744103 ROSRROOXZXWURK-FQEVSTJZSA-N 440.935 2.344 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(=O)NCCC)c1 1689870751 ZEWDCBHLVSHEJC-UHFFFAOYSA-N 445.527 2.231 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1689943514 UDOCGBCAQKLJDB-PMACEKPBSA-N 429.565 2.254 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689982164 IYOGVBVJVJYGCQ-JTSKRJEESA-N 442.541 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCNC(=O)c1cccc(O)c1 1690042223 YWYMKSDUZHLNLD-UHFFFAOYSA-N 428.496 2.329 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSc2ccccc21 1690104037 KWUVJEBECGUZCP-IRXDYDNUSA-N 446.598 2.156 30 10 IEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690159819 NKLGOVBGOPCIQH-OAHLLOKOSA-N 448.499 2.127 30 10 IEEE C=CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1690548569 GLRYKFCHELXUGA-UHFFFAOYSA-N 438.557 2.309 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1690658977 FYIHNMWLCQUZJN-UHFFFAOYSA-N 430.940 2.320 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1690717752 PNZFRPQGUQZPHS-QFBILLFUSA-N 429.546 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1690724718 VEMKHGWOTOELQD-UHFFFAOYSA-N 449.577 2.023 30 10 IEEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1693293346 LSGVYPMJGNBIOF-SFHVURJKSA-N 426.546 2.255 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C2CC2)C1 1696495953 KMZVVEBCSNYPOA-IBGZPJMESA-N 428.562 2.382 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1697123457 AQPYMUSSNCCMPS-DRSNIGMVSA-N 427.505 2.148 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C 1705474059 BKCFXDAIWNVZHD-OAHLLOKOSA-N 444.967 2.482 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2ccc(F)cc12 1705621233 WSWSGTFQGSUSOA-UHFFFAOYSA-N 426.496 2.365 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCC[C@@H]1C 1705627057 SIPFOXPOIZZREU-KRWDZBQOSA-N 435.532 2.164 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705643590 LQZWIRQOFRNDGV-QZTJIDSGSA-N 432.569 2.188 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1cccc(C)c1 1705662209 SRLSOKVLIHGSPY-SFHVURJKSA-N 448.614 2.370 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705679105 BLBGSVKREHTSOZ-OAHLLOKOSA-N 434.342 2.498 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705738156 NHVWHJGBXZGKEO-HSZRJFAPSA-N 425.533 2.351 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1705883030 SIHWAIDTNZGLTD-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705899020 FYQUGXWWTMWJHE-UHFFFAOYSA-N 436.476 2.194 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1705908209 KXWZTRNFERJHJW-GOSISDBHSA-N 437.544 2.440 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CCC)C2)C1 1705913892 ANZXNZOLWBLDAZ-RTBURBONSA-N 439.564 2.439 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)[C@H](C)C1=O 1706507166 HWMNMSATFAUIEO-QGZVFWFLSA-N 432.532 2.292 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1706745798 IDYYRUDNPMPFHP-XMSQKQJNSA-N 448.575 2.422 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1708521634 PLUGSKKEHDXLSU-HZPDHXFCSA-N 425.537 2.094 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1711051518 JXDWFCBQOODYEW-UHFFFAOYSA-N 449.515 2.077 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1711157606 APKULQOZOLQHGB-HXUWFJFHSA-N 437.592 2.315 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1711347756 GAYOLMMVUZTLBG-KRWDZBQOSA-N 449.490 2.274 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C[C@H](C)O1 1712287012 AHBVFYJELIZLSJ-GUYCJALGSA-N 425.518 2.265 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722357110 ZVTIBDURGDCGLS-SFTDATJTSA-N 441.601 2.337 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722423903 TXOQCWYOJORDKJ-OFNKIYASSA-N 426.517 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCC[C@H](C)C2)CC1 1722434272 OJVGXMNMGRTENG-IBGZPJMESA-N 437.548 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(O)c2)CC1 1722444724 FFATVAZYWDYGQS-UHFFFAOYSA-N 448.527 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C2CC(C(C)(C)C)C2)CC1 1722449841 QREQWPMOHXKUIZ-UHFFFAOYSA-N 440.592 2.364 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722507342 HZXBFZNWFQTINM-SJBKTWHCSA-N 444.624 2.201 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](SC)C(C)(C)C)C1 1722709893 BDYVIHUZWSVRQA-ARFHVFGLSA-N 445.655 2.447 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722736453 XTSPJRAOLARCON-UHFFFAOYSA-N 442.589 2.335 30 10 IEEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1)N(C)C 1723818193 BOSDCGYXGBFLCX-MRXNPFEDSA-N 430.578 2.429 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCCCCCO 1726645788 RIPPLQZAPRFODW-PKOBYXMFSA-N 440.552 2.059 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)CC)cc1 1728875220 DMNIWZMELQYSAW-QFBILLFUSA-N 442.520 2.024 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1740624297 HVULXQKHTADBIK-ZWKOTPCHSA-N 436.603 2.372 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ncccc2N(C)C)CC1 1740696746 FAUQRTLWWOJNMV-UHFFFAOYSA-N 445.571 2.142 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1740856730 WCDSSXJFARLAGT-MOPGFXCFSA-N 437.548 2.051 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)C(F)(F)F 1748404953 KDVVDMXNESNBFG-BEFAXECRSA-N 436.438 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCSCC2)cc1 1748679726 IGRVDTXWDOVFNM-GOSISDBHSA-N 438.601 2.460 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1nc(CCOC)no1 1748752418 WRWLPFZLXJOSRJ-GOSISDBHSA-N 438.488 2.412 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)c1 1748962846 SBRSJICEFWUEBP-NRFANRHFSA-N 439.560 2.143 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CC)CCOCC2)CC1 1748977892 LODMNRYFIXBFMI-DEOSSOPVSA-N 445.608 2.281 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1749032224 ZADXJGGEZIRPAE-UHFFFAOYSA-N 449.584 2.400 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1749142135 QXHWFJJJIQWSDE-UHFFFAOYSA-N 427.553 2.099 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2ccccc2)CC1 1749226906 ULLZKXQASDIIBD-NRFANRHFSA-N 438.576 2.187 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749231355 MXBLYOMXYTXEGE-SFHVURJKSA-N 425.599 2.264 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)N(C)C)CC1 1749299745 XEHLWJRVDIXAFY-UHFFFAOYSA-N 441.561 2.179 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1760100662 XPCYBZDXJUVULO-APWZRJJASA-N 442.507 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1760118080 XWPLMKHDJFPTLZ-TXPKVOOTSA-N 430.530 2.073 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760156003 QXRSRRHIRALNNV-IBGZPJMESA-N 440.548 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[C@H](O)C2)CC1 1760267065 TYKDONUOSLVTDC-HKUYNNGSSA-N 425.533 2.363 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1760274492 KHQDRWGTKPHPJA-MJGOQNOKSA-N 445.564 2.444 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760322793 XOHMCOXTSJRCDL-UWVAXJGDSA-N 427.553 2.219 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760334431 AAADIQGRMSNZIJ-PKOBYXMFSA-N 439.564 2.300 30 10 IEEE CC(=O)Nc1ccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)cn1 1760630286 CWZGSQAGBDXRDU-ZHRRBRCNSA-N 441.536 2.459 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1763098460 GYYCGJURCAXRFN-JGCGQSQUSA-N 449.584 2.361 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(N(C)C)CCSC1 1764127247 FXGXGQAUXAQIOB-VQTJNVASSA-N 437.589 2.076 30 10 IEEE CCCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1764214800 MKZIQFLBYNNPND-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNc2ccccn2)CCOC1 1765879612 JKRGLQDETFRJAR-NHCUHLMSSA-N 429.500 2.269 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 1767157264 UTOUDSOJXIQHEF-WOJBJXKFSA-N 437.592 2.458 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1769959011 FPGQQLYHJNZWIC-DRSNIGMVSA-N 429.521 2.050 30 10 IEEE COC(=O)[C@H]1C[C@@H](CCC(=O)ON2C(=O)c3ccccc3C2=O)CN1C(=O)OC(C)(C)C 1772789116 PRIYQCNYLNFMCJ-CZUORRHYSA-N 446.456 2.320 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)Nc2ncc(C#N)cc2Cl)CC1 1851274848 KTCYXCPTEIYKOV-KBPBESRZSA-N 433.896 2.261 30 10 IEEE CN1C(=O)CC[C@@H]1CO[C@@H](COc1ccc(C#N)cc1)CS(=O)(=O)c1ccccc1 1851327350 UEDYQGLNVYCXCM-QUCCMNQESA-N 428.510 2.417 30 10 IEEE COCC(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCN(c2ccc(F)cc2)CC1 1851572088 SCGABQUSSNCMIN-JOCHJYFZSA-N 427.476 2.457 30 10 IEEE Cn1ccnc(N2CCC(N(Cc3c[nH]nc3-c3ccccc3)C(=O)CC#N)CC2)c1=O 1853487665 CFVZIZLUMRIQHB-UHFFFAOYSA-N 431.500 2.082 30 10 IEEE Cc1cccc(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 1854034830 FNNBJSFZCBVKRI-UHFFFAOYSA-N 425.510 2.249 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(F)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855738687 BCFBDNXDAFWAOV-OAHLLOKOSA-N 429.473 2.078 30 10 IEEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C2)CC1 1855837195 HAHKWTBCXQIDLB-RDJZCZTQSA-N 432.908 2.127 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1(C)C 1856109525 IDUVUBYTUVCLRB-SFHVURJKSA-N 437.537 2.004 30 10 IEEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1857225148 YAWPVGKLMFDLAO-ZWKOTPCHSA-N 430.574 2.252 30 10 IEEE CCOC(=O)CN(C)C(=O)[C@](C)(CC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868796093 QIUZVFOKAHRMLN-JTSKRJEESA-N 448.589 2.331 30 10 IEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870904237 LLZIXPRRAKWTAO-UHFFFAOYSA-N 429.473 2.173 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N([C@@H](C)c3ccc(OC)c(OC)c3)C2)CC1 1872912839 CYICMVGUBNRQSI-LPHOPBHVSA-N 443.544 2.154 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874470990 RUJCUCVBGOOGEQ-SRZZPIQSSA-N 444.473 2.259 30 10 IEEE CN(C)c1cc(N(C2CC2)C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)ncn1 1889723160 KXFQIQDCOZQJDI-UHFFFAOYSA-N 426.546 2.236 30 10 IEEE CSc1ncc(Br)c(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)n1 1891318758 DRIYYTLAAICKRY-SNVBAGLBSA-N 435.307 2.306 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987169006 LBWHQDTYJIBZBZ-HUUCEWRRSA-N 425.526 2.039 30 10 IEEE C=CCN(CCC(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 2013645125 OWGWVTBNTQGXCP-INIZCTEOSA-N 439.553 2.382 30 10 IEEE C=C(Br)CS(=O)(=O)N1CC(C)(C)OC[C@@H]1CNC(=O)OC(C)(C)C 2018677719 QCGSAOFMXOFNND-LBPRGKRZSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NCc1occc1B1OC(C)(C)C(C)(C)O1 2039815884 JAUIRAORSMUINX-HNONPPJISA-N 434.342 2.349 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2060769156 GWGPAKQFZMSNQS-ZWKOTPCHSA-N 432.370 2.446 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2060773911 VITBSDVYQATMMB-NJDAHSKKSA-N 442.560 2.495 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116138931 SLTGVAHRJVJOQG-NSHDSACASA-N 433.177 2.013 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)nn1 2132676235 KYGTWIPRWJVENA-UHFFFAOYSA-N 447.345 2.093 30 10 IEEE NC(=NO)c1cc(Br)cnc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2153992967 HTCWPSXCNRWBNU-IAGOWNOFSA-N 432.322 2.028 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)[C@@H](C#N)C1 2162735972 WTYRQQKFXAGJSW-JTQLQIEISA-N 440.254 2.337 30 10 IEEE CC1(C)OB(c2ccc(-n3ccnc3CCN3C(=O)c4ccccc4C3=O)nc2)OC1(C)C 2217476441 PGILOXFMXFTWFK-UHFFFAOYSA-N 444.300 2.405 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2224121160 PUOWQWHUVDURBO-OAQYLSRUSA-N 434.298 2.224 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435683 VGPCLOWGQLYCFN-HNNXBMFYSA-N 430.376 2.445 30 10 IEEE Cn1nc(C(=O)N(CCCN)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247839196 TYMNABLQVFCPEW-UHFFFAOYSA-N 432.761 2.364 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255541735 HFPWKJTYFRATTM-CQSZACIVSA-N 436.362 2.095 30 10 IEEE COc1cc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255656955 ILMAIIIXFCYYFM-HZPDHXFCSA-N 432.326 2.390 30 10 IEEE Cc1c(C(=O)N(CCN(C)C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832369 LCEHPNVUXWLIIN-UHFFFAOYSA-N 426.370 2.232 30 10 IEEE C[C@@H](CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255833217 ZKOMUPMIOHWMEH-KRWDZBQOSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]21 2255861540 NQJIHVXBOPVGFI-PVAVHDDUSA-N 431.342 2.442 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255945117 QOAQAEZRFFZZIX-UHFFFAOYSA-N 436.314 2.220 30 10 IEEE CN(Cc1ccccc1)C1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2267190882 UXGMWUFYSHOBNC-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267226248 YNWKKQMIEQJVMJ-GASCZTMLSA-N 446.357 2.246 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2267513385 OBLLXZBJEZXBOC-ZWKOTPCHSA-N 438.381 2.454 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2267522228 VQCCNPLYQQNFQK-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304805069 NTMIYHBTLNXXJU-CYBMUJFWSA-N 426.294 2.438 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3nccs3)n[nH]2)cc(OC)c1OC 20909472 NHECQDHYFYAECU-UFWORHAWSA-N 449.518 2.464 30 10 IEEE C[C@H](c1ccccc1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24686233 APINBUMKGVAZSI-GOSISDBHSA-N 426.542 2.084 30 10 IEEE C#CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)cc1OC 33271311 RWFZHBSKTMSKDN-OAHLLOKOSA-N 429.440 2.113 30 10 IEEE O=C(O)CN1C(=O)C(=O)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 102581198 GERHWCJSZRVCRO-SCDSTIRESA-N 427.325 2.009 30 10 IEEE CCCCCCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 248243254 FUPPILVVFYZJQK-HCBXPFHNSA-N 449.552 2.297 30 10 IEEE C=CCn1c(NN=C/C(Br)=C\c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 254517205 PTXBFMRCYXDVBY-UJVFBOAKSA-N 443.305 2.453 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 446593732 BOGMSHQGEIVNCM-IAGOWNOFSA-N 432.480 2.430 30 10 IEEE CC(C)[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nnc2ccccn12 486498196 MOZSFTPUBPLKPT-QUCCMNQESA-N 431.500 2.398 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@H]1CCCO1 486837360 AQDCGBRFLFHHPJ-CYBMUJFWSA-N 436.455 2.234 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1OC 503001443 QTCMJLUXGVANMO-HSZRJFAPSA-N 445.516 2.250 30 10 IEEE Cc1cc(N2CCN(C(=O)CN3CCN(c4ccccc4C#N)CC3)CC2)nc(C(C)C)n1 507283678 YNUXYZVDEROBQE-UHFFFAOYSA-N 447.587 2.251 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)cc2C1=O 516829271 HFBGTWNSHSWKQJ-LJQANCHMSA-N 447.491 2.307 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C1CCN(C)CC1 518724318 VDFJUMLBHMKHDA-UHFFFAOYSA-N 449.532 2.164 30 10 IEEE CCc1c(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)cnc2c1c(=O)n(C)c(=O)n2C 540274156 ZHMGOHWARIYGRM-UHFFFAOYSA-N 425.876 2.386 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)c1 544856192 KMYWFCVDTXWBCT-GOSISDBHSA-N 436.516 2.081 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 553289890 REVFPPNDJLNUCT-IEBWSBKVSA-N 441.551 2.115 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 557996280 PUZPKLVPRFUWLO-SFHVURJKSA-N 443.525 2.305 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCCN(CC)CC1 573647388 FGCKUFWQJGGZDE-UHFFFAOYSA-N 432.594 2.125 30 10 IEEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 609743630 GAXURENTCZSMAZ-IBGZPJMESA-N 428.514 2.487 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 670209157 LCHZCSNNRFENHW-UHFFFAOYSA-N 435.550 2.056 30 10 IEEE N#Cc1cc(Br)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703964668 BNKKCNMKVVEJEH-UHFFFAOYSA-N 434.271 2.359 30 10 IEEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(C#CCCO)ccc1Cl 703975181 VCPUWRSVTKAPQZ-UHFFFAOYSA-N 432.885 2.112 30 10 IEEE COC[C@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730137105 DCEPRPQQZXDAJF-OXQOHEQNSA-N 446.617 2.457 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 734292250 HQPYTXVBKQSHHV-QGZVFWFLSA-N 429.473 2.363 30 10 IEEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1ccc(C#N)cc1 740209150 CFGYWRQOGIMPBU-LJQANCHMSA-N 428.466 2.379 30 10 IEEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 752302110 AUSLNIUKVKNBLF-UHFFFAOYSA-N 444.601 2.214 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@H]2CCCCO2)CCO1 752852799 RBCMUVJTVRDGMT-MOPGFXCFSA-N 440.504 2.002 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NCc3cccc(CN4C(=O)CSC4=O)c3)cc2)c1N 753875370 DYDKATLDBZXFJA-UHFFFAOYSA-N 446.492 2.452 30 10 IEEE Cn1nc(O)c2c(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc(C3CC3)nc21 756881896 FCNYTHBXRWSFOD-IUODEOHRSA-N 426.477 2.040 30 10 IEEE COC[C@@](C)(CCO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 758227779 NGNLYBKACHNPTL-SEDGDDRASA-N 440.566 2.189 30 10 IEEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCCO2 779754965 RDAPMFKCZKZMMH-GOSISDBHSA-N 431.514 2.261 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)n1 790104569 RAPAFAXSLSPPQH-FYYLOGMGSA-N 438.528 2.110 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)[C@@H]1c1cncn1C 796085544 UICHGBINYLSZOB-SQGPQFPESA-N 443.548 2.384 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)ccc1F 798786971 ITNCDDSKPJQUFV-DNVCBOLYSA-N 445.516 2.209 30 10 IEEE COc1ccc(Cl)cc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1cnn(C)n1 807940941 YUUFUTGGNIIBFO-INIZCTEOSA-N 448.936 2.278 30 10 IEEE C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807948962 ATXDCWOHHTVSKR-ZWNOBZJWSA-N 433.397 2.473 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 812755532 ZDFGYUAFEOESBI-GFCCVEGCSA-N 431.308 2.419 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1 813983833 FAIFITBUOWRRGU-HOJAQTOUSA-N 438.509 2.232 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)c1 814319723 OKEUUWKYQCFWCA-OEBSBLQASA-N 442.545 2.169 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3ccccc3)c2C)c(=O)n1CC=C 916196284 YDXZADQHYVDFSB-UHFFFAOYSA-N 444.560 2.309 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)ccc1F 918173187 JATCNHJGEHFFHJ-HNNXBMFYSA-N 441.525 2.419 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)NCCc3ccc(OC)cc3)n[nH]2)cn1 1084222426 QGYBBWSFFBURKY-UHFFFAOYSA-N 440.533 2.093 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc(OC)c1 1084510251 QFPNNQUTASJVAS-UHFFFAOYSA-N 427.490 2.071 30 10 IEEE N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)ncc2c1COCC2 1129874027 MRSDPKQKKPULGM-LBPRGKRZSA-N 425.376 2.065 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1136427632 STXVQIIONUXZRY-SQNIBIBYSA-N 444.594 2.431 30 10 IEEE C=CCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C(=O)OCC 1140929217 DCGUYEVEGAIQNG-ZDUSSCGKSA-N 432.589 2.113 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC2)c1 1144281311 MNINABPDRHOCJK-ONTIZHBOSA-N 441.601 2.365 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)ccc1F 1158017358 HUBPGCAILJYZHA-HOTGVXAUSA-N 439.509 2.124 30 10 IEEE C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 1161749357 NYCDUXHLCNKBPG-SFHVURJKSA-N 440.569 2.238 30 10 IEEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CCO2)cc1 1192941039 DQMAFUAQDMCQIB-KRWDZBQOSA-N 440.930 2.377 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[C@H](C(F)(F)F)O1 1197484196 VVCYSZRMTXKJAI-HLLBOEOZSA-N 430.496 2.499 30 10 IEEE N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1F 1235545672 OGOQVBDTOPSTQY-UHFFFAOYSA-N 428.848 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1286298832 PRCFUHKSZGKNSF-OKZBNKHCSA-N 433.553 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@H](C)CN1CCOCC1 1286428110 JDISEYLCZWXWNC-NRFANRHFSA-N 435.572 2.309 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1286447116 JDXLAGCFEMGTMZ-UYAOXDASSA-N 445.589 2.264 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1286478556 DIEGTQCTFUFUDP-UHFFFAOYSA-N 436.604 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1286492200 DQWFEBIJAKPJPR-RBUKOAKNSA-N 431.581 2.199 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)(F)F 1286534391 BAWRAXKWTUGLDD-VIFPVBQESA-N 434.282 2.186 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286671327 WEMQXHYWQFRJCC-QGZVFWFLSA-N 447.609 2.445 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286787088 BPGCCIMAOFQWPI-HXUWFJFHSA-N 441.580 2.204 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)C1 1286798259 ISUGKPILJZDKQX-SFHVURJKSA-N 425.537 2.193 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N[C@@H](C#N)C3CCCC3)CC2=O)cc1 1288293871 HZMXWVMWYAXQDV-XLIONFOSSA-N 446.573 2.269 30 10 IEEE C[C@H]1c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)n2CCN1C(=O)OC(C)(C)C 1292290798 PCTRNTMBKVFVKA-SFHVURJKSA-N 445.564 2.488 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCCC[C@@H]1CC 1293097203 AWKSUMJNCOLEJS-IBGZPJMESA-N 439.612 2.345 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)Cc1ccc(OC)c(OC)c1 1298747903 VXQOPIJXQYTRRR-GAJHUEQPSA-N 434.533 2.420 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC)N1CCCC1 1300460135 NMNUBFNHAMTSAK-KRWDZBQOSA-N 429.594 2.182 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1300488550 FGAGKPDADYDWMY-GOSISDBHSA-N 444.948 2.191 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](CCC)OC)CC1 1300699910 JMIUUTIRPIRVLE-RXVVDRJESA-N 425.533 2.361 30 10 IEEE C=C(Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301010016 GYXAKXVVXFZLMZ-HSZRJFAPSA-N 425.533 2.345 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC[C@H]2C)C1 1301545937 OAWVNGBYOKUWOB-AEFFLSMTSA-N 432.956 2.496 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)COCCO1 1302164853 GDQDRYCSQNSIJV-HSZRJFAPSA-N 439.564 2.265 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1303640507 LONZAKIDQQGIGK-OAGGEKHMSA-N 430.475 2.174 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C(C)C)cc1C 1304381652 COQDMBZTANCZMD-GCJKJVERSA-N 426.521 2.283 30 10 IEEE Cc1nnc(CCn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1304779923 LRICOTLVYRAGBP-HXUWFJFHSA-N 431.566 2.461 30 10 IEEE C#CCOc1ccc(NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1310304160 XMFVLIKDXJAXRB-INIZCTEOSA-N 428.489 2.040 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)CC2)c1 1312364365 HYTXGEGAVYFQEA-HSZRJFAPSA-N 446.555 2.408 30 10 IEEE COCCN(CCC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312468228 CFFWPSPVSMDBDV-CVEARBPZSA-N 440.541 2.135 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)C1 1314976512 HEBVOQOYSNMFKI-JOCHJYFZSA-N 426.521 2.116 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1COCCO1 1315654428 HOCOSFMTCRACBR-VGSWGCGISA-N 427.505 2.411 30 10 IEEE COCC1(C)CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1315829413 YIYFCEWOBYTTKP-ISLYRVAYSA-N 430.553 2.355 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCC(=O)NC2CCCCC2)cc1 1316529502 FLIGXJNGOOGPRO-UHFFFAOYSA-N 449.559 2.357 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1320075486 AMXKCZXWPUVQTJ-AWEZNQCLSA-N 442.497 2.486 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1358903780 JLDWGNKAOHTGIN-SFHVURJKSA-N 437.610 2.404 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1358910679 XOCPJLRMMJTXIQ-JOCHJYFZSA-N 447.543 2.276 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1358940944 SMIMUQYRLAXWJH-HNAYVOBHSA-N 434.338 2.454 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@H]1C(C)C 1358946304 PYFCEGUUWQCGEB-AEFFLSMTSA-N 430.578 2.369 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1358962096 KIPSCGOJTKSKRN-GOSISDBHSA-N 429.546 2.013 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCOCC 1358991665 KHHMIKJBBNEODK-UHFFFAOYSA-N 432.528 2.472 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCC[C@@]3(CCOC3)O2)n1 1359028086 GVHKVRKIPFJSTL-OFNKIYASSA-N 442.564 2.051 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1359126483 QVBDMLDAPJTYPE-KRWDZBQOSA-N 426.521 2.052 30 10 IEEE C=C(Cl)Cn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359156387 DEOFNHHIDQZBJI-UZLBHIALSA-N 426.945 2.457 30 10 IEEE COc1ncc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)cc1C#N 1439468388 FSPMVWVVBQSRKR-IBGZPJMESA-N 431.811 2.160 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cc(Cl)ccc1F 1454407934 KGWOVFJRMMXHJH-UHFFFAOYSA-N 437.880 2.297 30 10 IEEE C=CC[C@]1(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)CCCN1C(=O)OC(C)(C)C 1454842436 DZRJIXWORLVZGJ-JOCHJYFZSA-N 441.536 2.367 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2c([nH]1)CCCC2 1456246494 JLTKPPJPSQZTAL-KRWDZBQOSA-N 429.546 2.202 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCNC2=O)ccc1Cl 1461804839 NAROVWRFBZWBQB-KRWDZBQOSA-N 433.917 2.340 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3ccc(OCc4ccccc4F)cc3)C[C@H]1CS(=O)(=O)C2 1469698431 YARPCKLWQWTHDT-AVRDEDQJSA-N 443.500 2.484 30 10 IEEE CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1471832354 CIJKQOXAKWYWJL-GOSISDBHSA-N 435.546 2.331 30 10 IEEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)C2(NC(=O)OCc3ccccc3)CC2)C1=O 1472908234 ULTACXQQDDZPHQ-QHCPKHFHSA-N 446.463 2.353 30 10 IEEE N#C[C@]12CN(C(=O)NCc3ccnc(Oc4ccccc4F)c3)C[C@H]1CS(=O)(=O)C2 1478571815 SMEOBCOKLJXSLC-MGPUTAFESA-N 430.461 2.093 30 10 IEEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C#N)cc1 1503284379 QXEPOWBZJXEJQH-UHFFFAOYSA-N 444.586 2.378 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCOCC3)CC2)cc1 1504304901 HNUUCDNDWQVJHO-GOSISDBHSA-N 440.548 2.326 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OC(F)F 1505083425 XRVFGJCUTCYXPB-JZXOWHBKSA-N 449.458 2.381 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)C(C)(C)C 1507527008 OCDWQBOMJDAMCA-OAHLLOKOSA-N 432.546 2.388 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](F)COC)c1 1507549968 CWWCDQDJWQXWKC-GOSISDBHSA-N 436.491 2.305 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1507562084 VCSMPGIIZAACNP-IAGOWNOFSA-N 430.553 2.478 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507568903 ATDPHGHXFGEPIW-MRXNPFEDSA-N 429.546 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1csc([C@@H](C)OC)n1 1507652899 MBYNIFAKXIUJCY-CQSZACIVSA-N 438.513 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@](C)(O)CCC)CC1 1507734201 ILOPLHVRPQNKHA-DEOSSOPVSA-N 439.560 2.471 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1507750239 NNGYKGCZGVJGQR-UHFFFAOYSA-N 442.618 2.132 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507810312 YQPUVPHBSOCVNX-ZCNNSNEGSA-N 430.597 2.126 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1507830046 TVZJTITZJXEZGP-IBGZPJMESA-N 438.532 2.053 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1507997729 XIIJVXIUPXFOQJ-JTSKRJEESA-N 443.573 2.405 30 10 IEEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCS(=O)(=O)N(C)C 1508965506 BSQJXQRRGKIUNJ-UHFFFAOYSA-N 446.577 2.212 30 10 IEEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CCO2)c1 1511414414 DHQJMSLPDMCTHW-NRFANRHFSA-N 435.532 2.390 30 10 IEEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](F)COC)c2ccccc2c1=O 1515950145 SPPXCOXDPWIZTA-MRXNPFEDSA-N 439.495 2.399 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 1517346855 FZRHGJSRILAFTR-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1518879624 BEFWCYRDUHCJHI-UHFFFAOYSA-N 431.500 2.222 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C#N)CC1 1519592445 DBOQAZKPRBEVFG-UHFFFAOYSA-N 439.545 2.173 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccn2C(F)F)CCO1 1521121247 IJJQMGYKTNWPKO-AWEZNQCLSA-N 430.375 2.222 30 10 IEEE CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cccc(F)c1OC(F)(F)F)C(F)(F)F 1525724935 HEGDZVYZMNTHAS-SECBINFHSA-N 426.310 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCn1cc(Br)cn1 1538962845 PURCHJXJAKVPJU-HNNXBMFYSA-N 448.369 2.411 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCOC1 1539102692 ZAAALMWOVMSPSX-QGZVFWFLSA-N 431.562 2.082 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCc2cn[nH]c2)CC1 1539463268 XQKNNFDOVUGEMI-UHFFFAOYSA-N 437.573 2.300 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CCCC2)CC1 1539488550 LSBONVNACGDRKQ-UHFFFAOYSA-N 434.588 2.125 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1539735740 ORNHUBCFVNGQDA-QFIPXVFZSA-N 429.521 2.257 30 10 IEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540007558 SOLPAVORHDRLDJ-KRWDZBQOSA-N 433.578 2.314 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC(=O)NCC(F)(F)F 1540127553 RWGXXRXATKATKN-UHFFFAOYSA-N 438.454 2.287 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OC)C1 1540905194 RFPGLZYEUDDACL-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1541802118 KVVMWSPLIHEIQT-OAHLLOKOSA-N 429.550 2.114 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 1543136600 AKYYPVGFWUAUMW-SFHVURJKSA-N 433.350 2.023 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)c3cc(C#N)ccn3)c2)nn1 1543335003 JISLWNGDMISQPZ-UHFFFAOYSA-N 433.472 2.489 30 10 IEEE CC[C@@H](C)N(C)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1545676373 BWPWHSULDPCWPT-MSOLQXFVSA-N 437.596 2.338 30 10 IEEE CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1554484213 KGIFKBANMNHSAU-LJQANCHMSA-N 432.532 2.145 30 10 IEEE COc1ccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)cc1 1554962971 HBUGFPBKYBVBKC-IRXDYDNUSA-N 426.521 2.472 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1555070326 HHXYTKRKHTYFSV-WMZHIEFXSA-N 442.539 2.166 30 10 IEEE C[C@H](C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1556163118 PZSQFZPJWGJDOL-HNAYVOBHSA-N 441.532 2.439 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)c1cnn(CCC#N)c1C)CC2 1585693505 MSVFHNRXDFXRRK-UHFFFAOYSA-N 439.516 2.217 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1587782762 BPNBKAPFSUVWBH-DLBZAZTESA-N 440.573 2.321 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588025447 ZYRUGHQRLUGVKU-ADKAHSJRSA-N 447.605 2.138 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccoc1 1588140042 SLHDDQXWIOPAFE-SFHVURJKSA-N 425.489 2.301 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1588265797 HLYVSYMCLPORLY-IRXDYDNUSA-N 431.562 2.304 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(F)(F)C1(OC)CCOCC1 1588647794 YSUDUOHMUISZCS-KRWDZBQOSA-N 442.507 2.089 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1594553335 YUDFTIQCIQQZHV-ZCNNSNEGSA-N 425.533 2.441 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1594963887 ZEFIZBPLCMIRBO-LPHOPBHVSA-N 445.589 2.379 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccn(C)n1 1595094305 QHJNZNOLWKWGFY-HXUWFJFHSA-N 430.516 2.270 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)nn(-c2ccc(F)cc2)c1N 1595533015 HGHJDUKMMQFINY-YQVWRLOYSA-N 438.507 2.209 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCOC2)C1 1595682291 ZSXQZEQLDAPIEQ-UTKZUKDTSA-N 436.459 2.479 30 10 IEEE C=CCCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OC 1596244989 SIFOELFSNGELES-HOTGVXAUSA-N 428.576 2.471 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1611308742 TVDSYLPIMRPUIZ-AWEZNQCLSA-N 432.475 2.168 30 10 IEEE C#CCCN1CCC(NC(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1618545832 OOUZMOSBCYZZRZ-XUZZJYLKSA-N 427.545 2.407 30 10 IEEE COCCCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1619820686 SRBLXWBBWFJCIR-UHFFFAOYSA-N 436.495 2.499 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1620352943 BXXQSUYYFVPUSR-LJQANCHMSA-N 444.561 2.150 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CSc2ccccc2O1 1627497120 GZXQPZDJBDMYQD-AWEZNQCLSA-N 431.539 2.175 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1636238343 FHPPRUHWGZDKGR-SJLPKXTDSA-N 428.537 2.478 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)cc1 1636284553 QFCPSTAGAYCGJF-NRFANRHFSA-N 444.491 2.195 30 10 IEEE COC(=O)CCN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1C 1637475056 JROOJXCGLITQME-KRWDZBQOSA-N 430.354 2.004 30 10 IEEE COCCN(CC#N)C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 1638469818 HGQJIXVFPSGIEH-HOTGVXAUSA-N 429.546 2.334 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC)C(=O)NCc2cccs2)ccc1F 1638986237 YGWCXMFFHBVUSH-INIZCTEOSA-N 439.534 2.176 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1C 1642565339 HZIPIBNDOSDKLK-UHFFFAOYSA-N 426.542 2.192 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1643516907 XFLOGAYDYRJHGK-IBGZPJMESA-N 444.528 2.390 30 10 IEEE CCOC(=O)c1nnn(C2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1C(F)F 1647985390 AVUYSXJQRHEYTQ-RBZFPXEDSA-N 440.495 2.472 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[C@H]1C(F)(F)F 1648351701 NSQKFNIMKJYJLU-CABCVRRESA-N 431.459 2.420 30 10 IEEE O=C1C=COC2(CCN(CC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)CC2)C1 1648473656 NDPZISSFSZRFMO-UHFFFAOYSA-N 439.556 2.064 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1649538091 MQPQTYCMXBRZIN-HYBUGGRVSA-N 445.608 2.423 30 10 IEEE C#CC[C@]1(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 1653523545 GQDCAZAJLXOAKB-JOCHJYFZSA-N 449.573 2.176 30 10 IEEE C#CCOc1ccccc1CNC(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1679248649 BRYDVTHWWFYLGE-UHFFFAOYSA-N 430.549 2.487 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)[C@H](C#N)C1 1681434917 RTWHZGRVBLYVED-IXDOHACOSA-N 426.521 2.335 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 1684363815 PZHIEXWEVYXBOZ-DNQXCXABSA-N 433.556 2.457 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)NCC#C[C@@H]1CCCCO1)OC2=O 1687665806 SCHQEYMHQGPOHI-ZWKOTPCHSA-N 449.548 2.191 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1689866804 KXBPNGLYCCVVAA-KZNAEPCWSA-N 439.626 2.326 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1689989647 HQUNCLBQAQUKAO-IBGZPJMESA-N 443.573 2.404 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCCN(C)S(=O)(=O)CC 1690011141 CJNXMOGHTITYKK-UHFFFAOYSA-N 433.965 2.343 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CSc2ccccc21 1690092714 SCFDHFUQGJQCBA-KRWDZBQOSA-N 425.558 2.490 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690219767 KRYWIZCZCMBKSJ-GOEBONIOSA-N 439.358 2.087 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1 1690244251 VLYOTSLRAGFUOQ-PXNSSMCTSA-N 425.537 2.069 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690500137 MLRMVCYHCZGFQW-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1690666347 ZWKWVGWZBMBMSF-HNNXBMFYSA-N 432.956 2.440 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCC)nc2)C1 1690697275 RUTJEBYGMIGVKE-ROUUACIJSA-N 426.521 2.243 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1692248202 SZFLTPXITNFNOJ-HMDOMZECSA-N 440.504 2.174 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1694222012 CMQQKMMUBMHISJ-IAGOWNOFSA-N 426.521 2.259 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1698152344 ZMWGSYRKDAPTIQ-SJORKVTESA-N 442.520 2.106 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1698223351 NJWVMLDBLSDPDH-LJQANCHMSA-N 435.532 2.282 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1698297813 DNLMJVCUEOSSDW-UHFFFAOYSA-N 439.545 2.117 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CCCCCO)cc1 1698488471 ICFOLFLGUBQUBE-UHFFFAOYSA-N 441.532 2.277 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705507664 BSYCBDLJWBFBJO-HSZRJFAPSA-N 448.531 2.214 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705563568 ZZUOPBSHEVOWFM-UGKGYDQZSA-N 430.574 2.295 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(C)cn1 1705591567 SGSUSIMYLWZQCX-UHFFFAOYSA-N 436.541 2.017 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN(C)c1ccccc1 1705627190 YHBJZABODMHFIK-UHFFFAOYSA-N 436.516 2.228 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(OC)ccc2OC)CC1 1705639649 TWTBYKPNBOTOLM-NRFANRHFSA-N 425.533 2.340 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2sccc2Br)CC1 1705639930 ZHTFRNYWFSXMFI-CQSZACIVSA-N 436.379 2.410 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)CC1 1705640544 VWUKSVQJHLQNEU-UHFFFAOYSA-N 434.386 2.281 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(F)c2)CC1 1705649222 PMXZVKGDVAGHRF-UHFFFAOYSA-N 449.534 2.416 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705656886 MDCPUALOVLFAEJ-UHFFFAOYSA-N 447.568 2.132 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705657810 RUQHCOYWXSGFSG-QGZVFWFLSA-N 447.572 2.027 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](OCCOC)C1 1705706358 SRYVIWRZFZLSJC-URVUXULASA-N 444.580 2.363 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1705737733 ATAWCIOLUVCNKA-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCCOC1 1705859080 GXHVUJMLYUCXCO-KRWDZBQOSA-N 431.562 2.428 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1705877748 CMRUYNMWXNQOEX-UHFFFAOYSA-N 446.555 2.358 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705905895 KZLZSISVOPKVGC-MRXNPFEDSA-N 431.562 2.007 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1706746769 DPDYTKRIUJQESL-DOTOQJQBSA-N 444.540 2.291 30 10 IEEE Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1707557956 AWNQEJAWSXRKAE-KRWDZBQOSA-N 446.577 2.406 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCCCS(C)(=O)=O 1707909263 ODNWXKJCKZNGOO-UHFFFAOYSA-N 434.541 2.139 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1708718776 BBXFGWSYIVKAAF-UHFFFAOYSA-N 438.598 2.150 30 10 IEEE CCc1nnc(N2CCO[C@H](c3ccccc3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709159948 XSTAOQMFOLUCBM-XJUMHSELSA-N 436.516 2.253 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCSC)CCN2C1=O 1710173942 SXKVDVRHZPYBHN-QGZVFWFLSA-N 439.545 2.043 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1711406200 CLASPVPNZPSGPR-LJQANCHMSA-N 448.531 2.112 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1711481005 XZZSCUCUNBUZSJ-UHFFFAOYSA-N 440.435 2.398 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1C(F)(F)F 1722346441 XVZNUTBKQBNFAS-LLVKDONJSA-N 433.431 2.164 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1722350526 BTGSDGQZYJCWJH-GFCCVEGCSA-N 443.360 2.064 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1722350564 CBZUNKZKGIITTD-HNNXBMFYSA-N 433.603 2.218 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1722386027 SYDXAAXYXBDEBP-FQEVSTJZSA-N 438.963 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCO[C@H]1C(C)C 1722387417 VIVJLVCMQYIRLG-PXNSSMCTSA-N 425.558 2.404 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCNc1nccc(C(F)(F)F)n1 1722427444 JIEIESOGWXGDJW-CQSZACIVSA-N 439.442 2.137 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)N(C)C)CC1 1722575410 IICRROGJUSTNKS-UHFFFAOYSA-N 447.561 2.010 30 10 IEEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722605389 FYAMWJNTWUVTAL-UHFFFAOYSA-N 438.623 2.462 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCc1n[nH]c(C)n1 1722659265 QZYQQPQMFKEYDP-UHFFFAOYSA-N 426.500 2.417 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1C1CCC1 1722702450 OBQJJMCZKXHFPD-MRXNPFEDSA-N 428.562 2.341 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1723523083 ATGGQTCXEHJXOD-QFIPXVFZSA-N 434.552 2.391 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1724280220 JTOANUOPRYYTAH-IBGZPJMESA-N 440.548 2.365 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2F)CCO1 1731187549 RUZDNLAYIZKGGB-KRWDZBQOSA-N 444.536 2.202 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1740555662 NGDJZSPSNLEGNQ-OAQYLSRUSA-N 444.587 2.329 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740572021 XVQZQTRRBSUVDC-QGZVFWFLSA-N 426.546 2.057 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCC1 1740647522 PWTDCWISIDCSGL-UHFFFAOYSA-N 441.513 2.284 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1740663304 FZCHLCRFQSMKNB-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1740874590 DTTKJDSISFJHCW-UHFFFAOYSA-N 435.532 2.310 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1740961205 OTUIOXXKPAFKQL-UHFFFAOYSA-N 442.539 2.270 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740969285 WXYSQZMBVQBWIM-BGYRXZFFSA-N 441.532 2.371 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2N(C)CCCC2(C)C)C1 1740983970 TZJRAASTRYIVOJ-RBUKOAKNSA-N 430.597 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740990487 AYTUMQJZPYAQPU-QGZVFWFLSA-N 437.610 2.278 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740991229 RGCPFNRLWCLZMK-KRWDZBQOSA-N 449.621 2.231 30 10 IEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCOCC1 1744312451 AQSACXHWONNIHI-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1744756011 HGDYNIKAVGCNRG-QGZVFWFLSA-N 439.520 2.056 30 10 IEEE CNC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1 1748284996 DVCXQMKKJPFLNP-UHFFFAOYSA-N 439.907 2.497 30 10 IEEE CO[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1748389087 ZLRQAHAWBLZZCK-STXHMFSFSA-N 438.504 2.063 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1748730073 DIUGPVSORGRZIF-HDICACEKSA-N 442.564 2.231 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1748824092 IRDKEHDLJHXKFT-LJQANCHMSA-N 430.574 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CCc3ccccc32)CC1 1749014397 IKUDACBQDKHCEC-VWLOTQADSA-N 435.572 2.276 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@](C)=O)CC1 1749086499 HTUFCWYZVNTBHH-ADSBAMQRSA-N 433.509 2.219 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCn1ccnn1 1749531944 QTPLHVLVXXRQAL-UHFFFAOYSA-N 426.488 2.481 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2ncccc2F)CC1 1749664078 WKYIFXSTQPZQKY-UHFFFAOYSA-N 437.479 2.224 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1760361980 XWOWUMVRNUJCOV-WMZHIEFXSA-N 447.580 2.114 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1760412615 OQXRWDLICJTMTJ-ULQDDVLXSA-N 437.610 2.306 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1760505993 WXQSQKABFDYZAJ-IEBWSBKVSA-N 442.564 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 1760552507 QICFFHLVQRNRBJ-UHFFFAOYSA-N 449.964 2.010 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1760566223 ORRABYMEWJUION-QFBILLFUSA-N 443.639 2.157 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(=O)N(C)C)CCCC2)n1 1762414231 IBEVPYVYXLAZTG-INIZCTEOSA-N 426.569 2.384 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1764121307 NXFHZFRDLDBWOZ-OAHLLOKOSA-N 436.520 2.437 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1768659252 BDRPQZZHDDLZQK-IBGZPJMESA-N 436.541 2.326 30 10 IEEE COc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCNC(C)=O)c1 1768795832 QZIUCRBEPGXCQE-UHFFFAOYSA-N 447.499 2.015 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(=O)NCC2CC2)c1 1770735153 DUUFLMYDAICVBV-INIZCTEOSA-N 434.422 2.110 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1771188229 UTMYZOASNKUVLR-LZNRXBQRSA-N 433.553 2.470 30 10 IEEE C[C@H]1CCc2nn3ccnc(N4CCN(CC(=O)Nc5cccc(C#N)c5)CC4)c3c2C1 1848503858 RNKVLYHMMSTTHT-KRWDZBQOSA-N 429.528 2.486 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2cn(Cc3ccccc3)nn2)cc1 1852136454 MRFRGZCPPPKVTF-XMMPIXPASA-N 433.512 2.494 30 10 IEEE CN(C)S(=O)(=O)N(C(=O)c1ccc(-n2ncc(C#N)c2C(F)(F)F)cc1)C1CC1 1853084832 WDUWSYISAWJYKP-UHFFFAOYSA-N 427.408 2.174 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)CC1 1853307491 DGFMXTJCBGLSBG-FQEVSTJZSA-N 435.503 2.474 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1853681602 ZJSNVRNUGCSPCW-HNNXBMFYSA-N 425.457 2.050 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)Cc4ccc(F)cc4)C(=O)C3)C2)s1 1856347183 HKCZVOLSSPNYST-GOSISDBHSA-N 426.517 2.247 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(=O)O)cc1 1862740942 YDIYSCKREAFMSV-GOSISDBHSA-N 439.424 2.433 30 10 IEEE Cc1ccc([C@H](C#N)NC(=O)[C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1867428170 XYGAIAANOPIHPV-YWZLYKJASA-N 432.480 2.499 30 10 IEEE COc1cccc(OC)c1C(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870139567 XSHOKGFUJAQGRC-UHFFFAOYSA-N 447.499 2.160 30 10 IEEE Cc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870150946 JWKYPMCBOMGZBB-OAHLLOKOSA-N 430.424 2.137 30 10 IEEE COCCOCC(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccco1 1873765813 DAVVYCDWROGMDS-UHFFFAOYSA-N 427.482 2.422 30 10 IEEE Cc1cccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)c1 1874245967 GJUOXGVAABPDQH-FSJBWODESA-N 441.513 2.469 30 10 IEEE COc1ccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c(OC)c1 1874340513 NCTKCPZHAITVRE-LTNVFZTJSA-N 447.561 2.376 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2ccnc(N(C)C)n2)[C@H]1c1ccc(C#N)cc1 1889339056 IMJSNMYWLRDKMB-UXHICEINSA-N 438.557 2.124 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1991984071 OYRLQQQUAFUGLX-GJZGRUSLSA-N 425.526 2.086 30 10 IEEE COc1c(I)ncnc1N1CCN(Cc2ccccc2)[C@H](C#N)C1 2008261813 ZXVQFDUUGVERIG-CQSZACIVSA-N 435.269 2.304 30 10 IEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2063955345 ZMGPKXHNGRHCPQ-NJDAHSKKSA-N 442.560 2.495 30 10 IEEE C[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@@H](C)S1(=O)=O 2172779723 HGOJBLRBJRYFLT-TXEJJXNPSA-N 445.188 2.155 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224100316 PATVRVMODGTXEB-MRXNPFEDSA-N 432.374 2.344 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N(Cc2ccccc2)C2CNC2)OC1(C)C 2243435819 XSYGUPHJUZJXKS-UHFFFAOYSA-N 434.392 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2243714463 KQZOUHHPYUKGJV-LLVKDONJSA-N 425.316 2.322 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247907029 UUFOHFJLEFEMAV-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2249054368 IMXAOHRCIMOUPK-UXHICEINSA-N 428.533 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254790437 KFLAXEHVLVEQDX-CQSZACIVSA-N 437.321 2.250 30 10 IEEE CC(C)N(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2255652735 YVPZOMNSLFYKFL-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]1C2 2255656931 IECINVDJDMCCLB-YSVLISHTSA-N 431.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255701436 RCNRRTQUXSQZSS-KRWDZBQOSA-N 431.342 2.414 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256013925 JXPPTKVHLQNHEV-UHFFFAOYSA-N 436.314 2.220 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258973472 KNUUPQOEOYFXJQ-DLBZAZTESA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267108098 SQGYASYWBSDZTO-CVEARBPZSA-N 446.353 2.086 30 10 IEEE C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267132982 XBMMYORBAMRUHJ-IEBWSBKVSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267135193 ZTSPTSBLLFUPPA-CQSZACIVSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2267495303 LAOVPEPSOHYBRU-UHFFFAOYSA-N 447.316 2.213 30 10 IEEE Cc1c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267526150 NMPYUNHJFFDLQK-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550687 CPIVYKHRCADFTM-CABCVRRESA-N 446.357 2.009 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267590693 ROCGSIFUFFESDZ-JSGCOSHPSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCCOC1 2268644558 QLQUEASFLAEPDD-JOCHJYFZSA-N 447.341 2.393 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2315643570 YKQCVBXAWLOSRF-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C=Cc3cnc(N(C)C)nc3)sc2c1 2330063991 ORPJQXITHRUXCX-UHFFFAOYSA-N 444.542 2.269 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1sccc1C 2330749840 PAVPWMNTWXEWGR-UHFFFAOYSA-N 432.531 2.168 30 10 IEEE COCCc1nnc(SCCCO)n1N=Cc1cc(Br)c(O)c(OC)c1 2331305219 DPIILNGFUZAQEG-UHFFFAOYSA-N 445.339 2.300 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2334262970 ATPGLQLRTKKZMX-RBSFLKMASA-N 446.357 2.227 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203405 XNKWFNRUZNRDOR-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]21 2343885338 UVYOXWGBJFVSGA-HRCADAONSA-N 444.341 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](NCCC#CBr)(C(=O)O)CO2 2349190869 HYGFLNYGAJTSRG-SFHVURJKSA-N 431.327 2.335 30 10 IEEE COc1cccc(CNC(=O)Cc2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)c1 9860521 LOWKAVJRZRGKMC-MOPGFXCFSA-N 445.566 2.044 30 10 IEEE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826120 IDHUJAWDFUJAFG-LFVJCYFKSA-N 443.460 2.235 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccccc1O 59829742 DVSURRAKEMTTHB-SRZZPIQSSA-N 442.461 2.173 30 10 IEEE CCOC(=O)[C@](C)(NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)cc1 430268338 JJGVLBIDSDXCMA-OAQYLSRUSA-N 449.573 2.143 30 10 IEEE CCN1CCN(C(=O)Cc2ccc(NC(=O)c3cc(C#N)c(SC)nc3O)cc2)CC1 432045344 ARSYWSDPFGVKBB-UHFFFAOYSA-N 439.541 2.340 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(c4cnc[nH]4)CC3)nnc12 434305876 NBCYRUGYTWZXDH-UHFFFAOYSA-N 449.540 2.452 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]2CCCO2)c1=O 478745457 KMTXQUKKOXETNR-KRWDZBQOSA-N 442.585 2.375 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)C2=O)cc1 479051587 ALFLLOCHHGZFNF-LEWJYISDSA-N 449.486 2.293 30 10 IEEE COc1ccc(OC)c(CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C2CC2)c1 480119883 YHDSUUYNFXXWKK-HNNXBMFYSA-N 443.525 2.433 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(c2nc3ccccc3s2)C1 482808867 LIGREFHWFLXCFK-CYBMUJFWSA-N 426.523 2.461 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 485656981 KWCWEYQPZQYOLB-CJMONDIMSA-N 448.495 2.065 30 10 IEEE COc1cccc2c1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 489387150 HEKWDLADGKXOEE-FQEVSTJZSA-N 432.480 2.399 30 10 IEEE Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544864081 PYUBIECSKCNHRT-UHFFFAOYSA-N 432.440 2.170 30 10 IEEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2)c1=O 549550501 IQCLNAHDGKHKHK-UHFFFAOYSA-N 448.548 2.004 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 556574903 VTSJSLGHEMJACH-LJQANCHMSA-N 426.904 2.201 30 10 IEEE Cc1c(I)cn(CC(=O)N2CCC(c3ccccc3)=N2)c(=O)c1C#N 562038603 PGFYHFFKDOQCLP-UHFFFAOYSA-N 446.248 2.270 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CCC(C)C)n3C[C@H]3CCOC3)CC2)c1C#N 583335562 WJOZQNNDLGUHDH-GOSISDBHSA-N 426.569 2.143 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n([C@@H](C)c3ccccc3)c2=O)cc1[N+](=O)[O-] 730251514 GQTQOJXDCUNNGU-AWEZNQCLSA-N 432.461 2.463 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 755693546 ZUBAPBFAIXLOSN-ZPKJPUMHSA-N 446.507 2.477 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cc(C)ccc2C)C1 760301845 NYMKGCRYIGPGHP-RDJZCZTQSA-N 431.562 2.175 30 10 IEEE N#Cc1ccc(/C(O)=C(/C(=S)NCCN2CCOCC2)[n+]2cccc(O)c2Cl)cc1 762436599 COWMIKUISWZLJJ-UHFFFAOYSA-O 445.952 2.338 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(OCC(=O)O)c1 767106743 HPXOGVQPXVPDSU-KRWDZBQOSA-N 445.497 2.242 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 767752484 VQICFXQYNPYZLX-RDTXWAMCSA-N 439.534 2.126 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)cc(Br)c2)c1=O 772280438 YZKZXYFSBCVZAU-UHFFFAOYSA-N 446.370 2.194 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1)c1cc[nH]n1 772655224 GXYIGFQBROODMW-UHFFFAOYSA-N 429.864 2.344 30 10 IEEE C#CCOc1ccccc1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 776090403 XVJDPTFLSPQSJQ-UHFFFAOYSA-N 435.527 2.103 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1[C@H]1CCOc2ccccc21 782762313 GMXHOMUMNVALAY-IBGZPJMESA-N 446.438 2.458 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)O[C@@H]3CCCN(c4cc(C#N)ccn4)C3)c2C)nn1 791978842 TXUFSNIMRRJUTC-QGZVFWFLSA-N 433.472 2.462 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC([C@@H](O)c4ccccc4C)CC3)CC2)o1 796418129 OOPAJGIRSGQTMY-HSZRJFAPSA-N 437.544 2.257 30 10 IEEE C#CC[C@@]1(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 809766302 WXRCFLWLMAZSJM-QHCPKHFHSA-N 446.523 2.467 30 10 IEEE C=CC[C@@]1(C(=O)OCc2cn([C@@H]3COC[C@H]3OC)nn2)CCCN1C(=O)OC(C)(C)C 811089204 DPOTUHDWHZBGAW-LZJOCLMNSA-N 436.509 2.253 30 10 IEEE C=CCNC(=O)CN1CCN(C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 815008706 LKURGYUURGJTJH-SFHVURJKSA-N 430.774 2.230 30 10 IEEE CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 915000406 GCRRIPODQUTFKU-ZGOJQLDESA-N 435.546 2.461 30 10 IEEE COc1ccc(-c2nnc(SCC(=O)NS(=O)(=O)Cc3ccccc3C#N)o2)cc1 916179135 MJHDTVHJQDOWOV-UHFFFAOYSA-N 444.494 2.355 30 10 IEEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 917699046 ATDOUJZCVPCSLB-FQEVSTJZSA-N 449.536 2.332 30 10 IEEE NC(=O)CSc1nnc(NN=Cc2ccccc2OCc2ccc(Cl)cc2)n1N 1084311943 BSNJIEJHYZIZNC-UHFFFAOYSA-N 431.909 2.248 30 10 IEEE CC(C)(CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1COCC12OCCO2 1129751392 CSGSWHPPBJHWNE-FQEVSTJZSA-N 431.508 2.446 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)ccc1F 1131099061 VAFQOFGTDWJLCV-QGZVFWFLSA-N 439.553 2.005 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2)C1 1136755842 JOQYUEFVUMZSMD-SRXHXZOOSA-N 430.549 2.387 30 10 IEEE C#CCCN1CCC(NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1136962503 ODEKSMKEVIHMPK-IBGZPJMESA-N 444.580 2.458 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 1140339692 GOSQTCJSWOSSTK-LGVHXXEASA-N 442.443 2.355 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](CO)Cc1ccccc1 1147079976 HXNBQZJIYDERPC-OAQYLSRUSA-N 441.553 2.021 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1159641162 FKCVLVVNAKNAPT-LSDHHAIUSA-N 442.285 2.079 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286345767 QXIKSZRITRPQJN-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286470123 QETNLUZKGYZCSW-FCHUYYIVSA-N 439.560 2.117 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286622201 MXKCYGLTESEYEU-OAHLLOKOSA-N 428.965 2.385 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2ccnn2)CC1 1286665081 RFGVEZKLNZMBFU-UHFFFAOYSA-N 426.550 2.354 30 10 IEEE C=CCn1c(N2CCC(CCCN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286778298 YEPUDIVGJWJWPZ-QHCPKHFHSA-N 433.597 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286782546 YGRRAVZJJLYJCJ-HZPDHXFCSA-N 427.509 2.074 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCOCC1 1286816030 HFDDYUOGBOHYLN-UHFFFAOYSA-N 440.953 2.435 30 10 IEEE COc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)NC(C)(C)C 1289362407 REGWWLPLFVTBGJ-UHFFFAOYSA-N 436.530 2.250 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC[C@H]1COCCO1 1293100022 FNPGNELJPMFPDB-KRWDZBQOSA-N 430.940 2.498 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1295173345 ASWXCHMQHIKMCN-HXUWFJFHSA-N 440.573 2.092 30 10 IEEE COc1ccc2c(c1)CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1298281322 NEBLLWFFGZEVCR-LJQANCHMSA-N 434.452 2.193 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(CCOC)c1 1300267109 DXSBZKRGQYGEBK-GOSISDBHSA-N 435.532 2.496 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1300488984 YIYCWLPMNRJPNU-DOTOQJQBSA-N 442.570 2.227 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300493484 UZMJSXLSTLXCFN-ROUUACIJSA-N 430.578 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1300528239 SWFQVYGHHNNDTL-OAQYLSRUSA-N 443.555 2.088 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)c1 1300537411 GRTBLGXJOPUOQY-MRXNPFEDSA-N 436.459 2.320 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1300630921 JQLKFIGZCYYAQB-QUCCMNQESA-N 429.590 2.160 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC=C)CC1 1300685156 IENUHFHQLUTMCW-UHFFFAOYSA-N 441.605 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCC)CC1 1300715864 GQLHZLSOMSCFDK-QHCPKHFHSA-N 431.581 2.475 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1300788205 UGHWHJVVUSYYEL-VSKRKVRLSA-N 433.622 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1300805787 IGSPRCPPLRQQTD-MAUKXSAKSA-N 447.527 2.057 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1300990768 HNFBHKYKEKLPOQ-UHFFFAOYSA-N 448.531 2.155 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1301134046 DBTXEKPLJNEQBH-UHFFFAOYSA-N 444.561 2.023 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1301410755 LDXNUXBVNXAEHZ-SFHVURJKSA-N 433.578 2.104 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(F)F 1301483310 NUMPNTLHIVITOU-UHFFFAOYSA-N 431.285 2.440 30 10 IEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1 1301531578 QQTHGKVCFHWJOW-UHFFFAOYSA-N 439.541 2.112 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1303900109 RSMNMFCIMJBKQN-SFHVURJKSA-N 429.484 2.053 30 10 IEEE COc1cc(CCCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc(OC)c1O 1312471330 RTBDOIHDIVJKIG-CVEARBPZSA-N 448.520 2.400 30 10 IEEE CCN1CCN(CCCn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313960224 FYVHESBFEVCDKV-OAQYLSRUSA-N 431.585 2.400 30 10 IEEE COc1ccccc1Cc1nnc(N2CC=CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1315622323 MUKMTNNFWMVMKA-DQRAZIAOSA-N 434.500 2.170 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1316069953 NEMLPVNIOQCDCV-UHFFFAOYSA-N 442.564 2.230 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccsc1)N(C)C 1316212728 XQAVDBPQABINFA-NXHRZFHOSA-N 434.566 2.095 30 10 IEEE CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)s1 1324304713 JAKGOTFFUKDHJH-AWEZNQCLSA-N 443.594 2.398 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)c2ccccc2O1 1352442122 FGFHSOIALIZFDY-KRWDZBQOSA-N 430.258 2.240 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c(C(=O)OCC)c1C 1352793252 MDTAYZVWRYRRJQ-OLZOCXBDSA-N 438.502 2.328 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358941980 DZVSQCJFBDHRAN-JKSUJKDBSA-N 447.630 2.482 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(CC)CC 1358948973 PUXATLGOLVGWHJ-MSOLQXFVSA-N 435.619 2.394 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1358960758 LHIJWEQPWHAPDJ-GOSISDBHSA-N 437.525 2.029 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CCN(CC)CC1 1358971654 DJVARGKWWCAAAI-HXUWFJFHSA-N 449.559 2.200 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1359064717 YTUITPMVGZYTCO-LVCYWYKZSA-N 436.626 2.002 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCOC)CC1 1359098031 WTWPFFBWWFWCTO-XLIONFOSSA-N 430.553 2.292 30 10 IEEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1359115477 ALRKJELODLDDPB-QZQOTICOSA-N 438.536 2.069 30 10 IEEE C=CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 1359251581 PEBPTMXQZGPWRC-INIZCTEOSA-N 432.546 2.419 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1359265595 IQLYXLPINDGHIK-YPAWHYETSA-N 444.624 2.349 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359287052 JXVWUOPWZFKXHF-BBWFWOEESA-N 430.553 2.293 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1359321323 DYORYJLBXOEVKQ-NLWGTHIKSA-N 443.523 2.047 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1ccccc1 1359331619 DOYCKIXFZAPSNV-FUHWJXTLSA-N 431.562 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359331734 GXAYBMOADVXXCN-GOSISDBHSA-N 437.610 2.279 30 10 IEEE N#Cc1c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)ncc2c1COCC2 1436894035 HQJMOMSYWPHDIY-UHFFFAOYSA-N 432.527 2.053 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1443147962 WDEOQIMWMWOWNJ-ROUUACIJSA-N 436.553 2.204 30 10 IEEE C[C@@H](CC(=O)NCc1cc(F)c(C#N)c(F)c1)NS(=O)(=O)c1cccnc1Cl 1448188542 RLXFHMLTNAXSTB-JTQLQIEISA-N 428.848 2.258 30 10 IEEE CS(=O)(=O)[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H]1C(F)(F)F 1453384462 XVUXUUFTFGBLKR-UKRRQHHQSA-N 431.436 2.101 30 10 IEEE C#CC1(F)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)C1 1455276526 RTXHAXPCMCOILG-NSHDSACASA-N 435.340 2.238 30 10 IEEE N#CC1(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)CCSCC1 1456992301 RTVDCOSCXQBRHR-UHFFFAOYSA-N 444.529 2.336 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)[C@@H]2CCN3CCO[C@H]2C3)n(-c2ccc(F)cc2)c1C 1460145693 RHSJJBNPHSNUCR-RTWAWAEBSA-N 425.508 2.448 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](O)COc2ccc(F)cc2)cc1Br 1463166386 BIVGBIBAOMOBDF-GFCCVEGCSA-N 447.257 2.317 30 10 IEEE CCOC(=O)N1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1464579515 ABLWMIZVMMMBMM-JQHMZKTJSA-N 434.537 2.464 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(C(=O)NCCN(C)C)cc3)n[nH]2)c1C 1465005480 YCUXSPWCSIQQHY-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CSc1nnc(C)n1-c1ccccc1OC 1469876010 ACISYLIJIJHAKI-UHFFFAOYSA-N 430.530 2.480 30 10 IEEE C#C[C@H](NC(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1)c1ccc(Br)cc1 1470664385 ZFDPJMOKWSAIKZ-JLSDUUJJSA-N 425.323 2.179 30 10 IEEE COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1471533583 AUMGOAWPOUPFOI-MRXNPFEDSA-N 433.480 2.257 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1477720777 DZXVJZMPDKWKPH-UHFFFAOYSA-N 428.537 2.432 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1479071160 PMLCTLXIPMRADQ-IEBWSBKVSA-N 427.549 2.100 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1501973604 CZAJTQAGYKQASF-OXQOHEQNSA-N 428.537 2.421 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNC(=O)C(C)C 1503104363 CXTWCPKACGKYFL-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1CC(=O)N(C)C 1504884858 DVSZQYJKTYSJPP-UHFFFAOYSA-N 435.326 2.162 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1507628233 HISYBKCXAKAANJ-GOSISDBHSA-N 431.562 2.030 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507629830 WULCRAHLBDRZIP-GOSISDBHSA-N 446.573 2.396 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1507721127 YUAXPWADMRLWNF-IMSXRSKXSA-N 445.608 2.279 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 1507756491 NPFLNQSRHQQIRO-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507787842 HUNFHKSOJCDVCZ-OAHLLOKOSA-N 447.399 2.169 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1507897286 OWRNLTVTTMEHIB-LJQANCHMSA-N 445.486 2.400 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1507980028 AJEGJFPELSVYDH-KRWDZBQOSA-N 436.564 2.242 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1508009922 FOUMECPJPQIBQJ-MRXNPFEDSA-N 431.562 2.440 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1508042073 UGKRBDCSXMLWAK-KRWDZBQOSA-N 443.573 2.424 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1508075166 OUZLMLSFBVHAHN-MRXNPFEDSA-N 427.509 2.329 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1508079392 TZIFFUUBZCIEFV-FQEVSTJZSA-N 438.532 2.401 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)C1 1508117029 STTZTMWEPLAHDP-CABCVRRESA-N 438.326 2.232 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(F)(F)C1 1508135666 KUKFRSGFDAEHJZ-UHFFFAOYSA-N 442.488 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1508139378 FZWFRJJERAOGBB-IAGOWNOFSA-N 438.623 2.390 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1508845380 PKCZUUBPMVFKSV-DEOSSOPVSA-N 446.559 2.264 30 10 IEEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)C1CC1 1517744811 GYAHXEGPHXKVGQ-HSZRJFAPSA-N 438.532 2.212 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C(=O)OC(C)(C)C)C[C@H]4CC[C@H]3C4)CC2)c1C#N 1529120442 UVRNYFSPXHIPDW-QQMNAOGKSA-N 427.549 2.397 30 10 IEEE C=CCn1cc(CNC(=O)c2cc(OC)c(OC)cc2I)nn1 1529264604 DQANTWPYVSMQDM-UHFFFAOYSA-N 428.230 2.016 30 10 IEEE COC(=O)C(C)(C)N(CC(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536207202 SQSWYOGHRMBSJB-KRWDZBQOSA-N 428.489 2.199 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Cc1ccc(Br)c(Br)c1 1536548426 ZUOPSGOVNNEBNK-UHFFFAOYSA-N 425.142 2.471 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1539212136 SDSOVSXZADEPFT-IRXDYDNUSA-N 445.614 2.499 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCNC2=O)CC1 1539504699 MEOXMITZSZQGQU-UHFFFAOYSA-N 445.980 2.354 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1539538813 NRIPXQQMYQRUQP-SWLSCSKDSA-N 439.529 2.176 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1539563312 JVQFPKIBJLFEJT-XMMPIXPASA-N 430.512 2.168 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1539714573 MGZPUWCIXTVRSQ-UHFFFAOYSA-N 428.562 2.309 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1540147394 LCQWALXKYCWZOD-QGZVFWFLSA-N 437.591 2.419 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCc1n[nH]c(C)n1 1540177306 NHBNKGNXRKVDET-UHFFFAOYSA-N 434.548 2.418 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nncn1-c1ccccc1 1541664299 CFTCVRAMEQCMFV-JOCHJYFZSA-N 433.520 2.175 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1541803032 BMJNEWXUVILKMT-SIFCLUCFSA-N 449.602 2.468 30 10 IEEE Cc1nsc(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)n1 1543506831 HBVUIISYNROKEP-UHFFFAOYSA-N 447.362 2.266 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OCC 1544338491 HEOSCNHAUGAKAS-HNNXBMFYSA-N 431.942 2.004 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CC1 1554435348 SLGHPDFJJAHRJC-UHFFFAOYSA-N 432.475 2.451 30 10 IEEE Cc1cc(C(=O)NC2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c(C)o1 1584504399 NTCJAEFMCNQEFC-UHFFFAOYSA-N 447.488 2.367 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(C)(=O)=O 1587580380 PDHKJXOVBHEMIW-LBPRGKRZSA-N 441.351 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1587621547 WWJBHMVVYFUXRI-FQEVSTJZSA-N 443.555 2.455 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1589096948 IJYLRBFNSXJWQJ-GOSISDBHSA-N 427.603 2.177 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(OC)CCOC2)CC1 1594430498 NFGCYHHIBRVBGG-NRFANRHFSA-N 431.562 2.478 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1COC(C)(C)OC1 1595399255 UCHRKSQOEGILKG-UHFFFAOYSA-N 427.553 2.473 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1595884950 XKVHAAXRDPGZTL-QAPCUYQASA-N 428.649 2.433 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1 1613346915 ULPJYHGCHFAORU-UHFFFAOYSA-N 425.246 2.432 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 1614222500 COOVKMCITOQAIS-QAPCUYQASA-N 429.546 2.398 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc(Br)ccc2F)c1=O 1614781427 WBVCVKBRNSPBCZ-UHFFFAOYSA-N 438.253 2.173 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1616470043 WIYJLAAJDRPTOU-HNNXBMFYSA-N 436.472 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 1618244299 RTNLDIJQVHPNDH-UHFFFAOYSA-N 441.532 2.183 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1619589681 HVOFHKWVTUACJR-LPHOPBHVSA-N 436.520 2.481 30 10 IEEE C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 1625078161 QVVDRXUFCGGXKY-UGSOOPFHSA-N 446.326 2.478 30 10 IEEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1627307109 QLLBTIDMRYYGOM-INIZCTEOSA-N 431.968 2.397 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cc[nH]n1 1627468514 XXKDPXFRAYRLFO-UHFFFAOYSA-N 427.505 2.246 30 10 IEEE C#CCN(CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OC)cc1)C(=O)OC(C)(C)C 1627899169 WGZBSAHNRWYJKU-QGZVFWFLSA-N 433.530 2.406 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cccs3)CC2)s1 1628663738 GVROQAKUFMIVIP-UHFFFAOYSA-N 425.601 2.161 30 10 IEEE Cn1nccc1[C@H](O)C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1633706907 FEFUIUBFOYEEMX-LJQANCHMSA-N 433.306 2.405 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC3(CC2)CNC(=O)N3C)nnc1-c1ccco1 1638646343 QKQBPAJPMSIHET-UHFFFAOYSA-N 430.534 2.223 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccc(F)cc1C)C(=O)NC 1638951443 DDEVVNDAEAPJRV-HKUYNNGSSA-N 433.524 2.462 30 10 IEEE N#CCCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1642915927 NVFWXCLSLYHMAZ-UHFFFAOYSA-N 443.485 2.067 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cccc(C(=O)OCC)c3[nH]2)cc1 1648542874 XCXFQEXFWCOYHF-UHFFFAOYSA-N 428.470 2.456 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ncccc2CNC(=O)OC(C)(C)C)c1 1648789784 SDPJNOSNQJOKQY-UHFFFAOYSA-N 444.513 2.270 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cn1ccnc1)c1ccccc1 1650958366 JUXXRZLMKXIJSO-IBGZPJMESA-N 437.525 2.260 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)CC1 1656068348 WFDWJDCZHMBRRO-UHFFFAOYSA-N 428.226 2.497 30 10 IEEE C=CCn1cc(CNS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)nn1 1662631165 BXUGPPGVPAEBKA-IBGZPJMESA-N 433.534 2.075 30 10 IEEE C=CCN(CCC#N)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1663527051 BQMDYHYTKCPPCI-UHFFFAOYSA-N 448.282 2.477 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)Cc2ccc(CC#N)cc2)CC1 1666896566 CKQSYCFKQXPMDY-UHFFFAOYSA-N 426.542 2.041 30 10 IEEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)C1 1673018296 LFIYNFPKLBCKGI-UHFFFAOYSA-N 446.573 2.063 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689864770 HZRIZDYLIBOZOP-MSOLQXFVSA-N 445.589 2.159 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cnc2ccccc21 1690003428 NFVOLOANYPGKQB-DEOSSOPVSA-N 432.528 2.441 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1690025129 GBOQABIOUKRGIT-GOSISDBHSA-N 442.564 2.119 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O 1690064857 ASYZUIQDIHTZMU-UHFFFAOYSA-N 440.367 2.025 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1690253391 PWRLOHWYUOBSLZ-KURKYZTESA-N 444.580 2.323 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1690378032 ZWAGJOTWBZHLJC-UHFFFAOYSA-N 438.576 2.198 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1690511966 HTJGPQLNKLUMOP-QZTJIDSGSA-N 434.585 2.251 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1693856987 RILVCQNKGDKEPL-QGZVFWFLSA-N 438.532 2.260 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](OC)C(F)(F)F 1694789660 XBBRLUSGQHRSMH-HZPDHXFCSA-N 436.438 2.499 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)cc1C 1698060533 BWKKFSDUHAYQQQ-FQEVSTJZSA-N 445.589 2.406 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1698169097 FTXBGAQOCGPNSQ-HMXCVIKNSA-N 442.564 2.342 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)c1ccccc1 1698253578 AEMWZPKLSAXYEU-QIJZPMMNSA-N 440.548 2.256 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705536536 RDEUARBOYUFFMP-DLBZAZTESA-N 428.562 2.188 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705543739 QRJIVPAPCRGPKL-OAQYLSRUSA-N 434.544 2.301 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(N(C)C)CCSC1 1705578409 RCUSGTWJYKJBSI-HSZRJFAPSA-N 439.585 2.472 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705617133 NVPFSVADKDTBBV-KRWDZBQOSA-N 430.553 2.260 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1 1705628694 MZUJIKZMMSCLMS-GOSISDBHSA-N 433.553 2.473 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](OCC)C2CCCC2)CC1 1705632177 WXWVEXJQUDNJRY-OAQYLSRUSA-N 442.608 2.255 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1705752094 IJBVUFHNPHFULA-UHFFFAOYSA-N 433.944 2.247 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705754709 DOMNNBBEMFACIA-ORQFMDKSSA-N 444.001 2.378 30 10 IEEE Cc1ccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)cc1 1707317227 XRFJLHYRMNJKIP-LJQANCHMSA-N 436.541 2.398 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H]1C 1710204740 FYJUOIXQRGYAFU-UXHICEINSA-N 437.592 2.458 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCC(C)C)CCOC1 1710479584 IPIVXVAAQRYIQU-DENIHFKCSA-N 448.637 2.496 30 10 IEEE COc1cccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 1711938306 MMXHECNMXHTQOY-OAQYLSRUSA-N 430.484 2.336 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1712166917 BNLUHWMKRGPAOX-DENIHFKCSA-N 428.512 2.102 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCN2C 1712565778 HJPOJSWBPRGQRF-YLJYHZDGSA-N 440.548 2.162 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722334252 VHJLCWNIJVCYAU-WOJBJXKFSA-N 428.581 2.066 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722358435 HPQJDDHLQAJGOT-UGKGYDQZSA-N 430.574 2.326 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCC(F)(F)F 1722428491 GKUQFPDOYNSCHM-INIZCTEOSA-N 439.438 2.252 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)CC1 1722437314 DFNJWYXHEMBVTQ-UHFFFAOYSA-N 426.575 2.129 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](OC)[C@H](C)CC)CC1 1722439661 KNIIUXILIOBTBR-CTNGQTDRSA-N 435.576 2.333 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1722443688 MEMFDYXBPKDUKJ-UHFFFAOYSA-N 445.571 2.267 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1722532385 KMPITMCJHRWHRD-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722694017 ISLSAXFFWPSKQI-UHFFFAOYSA-N 435.532 2.002 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722698110 TZMKYOQXVUTHPU-UHFFFAOYSA-N 449.559 2.423 30 10 IEEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1723013056 OLBYBONGDIPCMK-UHFFFAOYSA-N 426.521 2.103 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1723629702 APFWURORCRSOIV-JOCHJYFZSA-N 436.495 2.487 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1724349652 SEJDZLNWJPMQRQ-QTIQAUKSSA-N 426.477 2.194 30 10 IEEE Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCOCC(F)(F)C(F)F 1726379266 ZGGKHYMGYUTJKD-SNVBAGLBSA-N 435.344 2.008 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC(C)(C)O1 1726722333 HFNSXIGAUUCGEN-AWEZNQCLSA-N 448.474 2.114 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CC1 1728633526 JYNHKFQTAXIZSD-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCc2cccc(C(=O)NC)c2)CCOC1 1728753621 FATCWWCILIPXSK-SBUREZEXSA-N 440.548 2.271 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730494297 DJHYOCMHLFQLFN-AEFFLSMTSA-N 444.511 2.027 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCc1ccccc12 1740580998 MSMVWGGUCAIQQJ-QGZVFWFLSA-N 443.573 2.328 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740589897 CEDJLUIKVHWVGC-HUUCEWRRSA-N 434.484 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCN(C)CCOC 1740646510 BNVALMIQVNHECS-UHFFFAOYSA-N 447.381 2.087 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(C)COCCO1 1740683584 LBBRWARFRISWCX-QHCPKHFHSA-N 436.516 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCN(CCC)C2)CC1 1740705477 HWKPVLTXVRJPPQ-PZJWPPBQSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cc(F)cc(OC)c2)CC1 1740708117 CGWOOOILOPFRHO-UHFFFAOYSA-N 425.508 2.392 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1740719972 NWBSWYMRRJCMDM-UHFFFAOYSA-N 427.574 2.107 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740760642 JZELMOSLSWPPKG-MHORFTMASA-N 426.583 2.023 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC(F)F)c2)CC1 1740818247 GKIMSMXBENKSOS-ZDUSSCGKSA-N 442.492 2.089 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)[C@@H]1CC 1740954429 MDBXQZFZMUFOTO-INIZCTEOSA-N 442.589 2.293 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740955028 VWJJQDJQWCMKHQ-ZWKOTPCHSA-N 426.477 2.303 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(C(C)=O)CC2)C1 1740970120 FFPZZVAAPXGCAQ-HXUWFJFHSA-N 446.596 2.236 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(NC(C)=O)c1 1744698657 YKUPTQMUNMTEDJ-UHFFFAOYSA-N 430.516 2.440 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@@H]1C 1746455488 QJPZGNAKAASSKS-FDDCHVKYSA-N 440.548 2.065 30 10 IEEE CNC(=O)CCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1748245407 TVAMPVXMQMWWIV-LJQANCHMSA-N 436.472 2.266 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)C[C@H]1O 1748336401 DWNLNPQJQIUXEP-GSEOLPGOSA-N 439.516 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1748638653 SYNFAHCTTSNMEO-NYMDZQDESA-N 430.553 2.322 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(F)F)cc1 1748846953 NIMQVLLZZHMBSL-KRWDZBQOSA-N 432.496 2.413 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCC)c1 1748907417 UZMQCJOURBEJQC-UHFFFAOYSA-N 431.500 2.183 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748965184 OGZHICLBUZQBIO-UHFFFAOYSA-N 440.548 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1c(C)noc1C 1749654993 AAMZLNNQECFZIB-UHFFFAOYSA-N 425.449 2.397 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749655372 JKZUYCZNEOPLLO-BBRMVZONSA-N 449.353 2.343 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749666218 JIZXMCGNOQEXJJ-UONOGXRCSA-N 431.566 2.056 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccc(OC)c2)C1 1749707333 VLDABDNPJNEBII-IBGZPJMESA-N 436.516 2.493 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(CCc2ccccc2)nnc1N1CCC(F)(F)C1 1750418677 LNFDLUCYKACYPW-FMQUCBEESA-N 442.470 2.435 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1760167722 AHVKVHHRIKFIQK-OALUTQOASA-N 433.564 2.358 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760182965 LBVZTCWJJUWNQE-VQTJNVASSA-N 441.557 2.259 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760190128 OJYIFLCMMHMIIF-HXUWFJFHSA-N 439.516 2.078 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1760279253 WMOQCSANYKHLFL-UHFFFAOYSA-N 434.525 2.372 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC 1760290771 PGXOYRGNXXWKFB-QGZVFWFLSA-N 440.367 2.463 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760352364 WETNIMJSSKFQRR-MJGOQNOKSA-N 427.505 2.481 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760431075 DETRYTLIULNIPV-NHCUHLMSSA-N 443.640 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@@H](CC)C1 1760557655 SPOUWRQXKHZRLJ-KRWDZBQOSA-N 438.623 2.072 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760562323 GAYVJHXXGJYLRT-GOSISDBHSA-N 428.562 2.087 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)CCNC(=O)C(C)C)n2Cc2ccc(C#N)o2)CCOC1 1761278588 DXBPAFADFZRHCR-QFIPXVFZSA-N 444.536 2.040 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1763422614 FBDXXSNXUHCQKK-PNLZDCPESA-N 429.521 2.392 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1 1765650976 GEYCTEOMZQSTJJ-LJQANCHMSA-N 437.548 2.483 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)C1 1769209773 GYJUBWMZANPECL-KRWDZBQOSA-N 434.500 2.353 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSCCCO)C1 1770730635 BKLXZRCNCCJQST-HXUWFJFHSA-N 429.525 2.074 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cc2cn3ccsc3n2)cc1 1851228757 DYWLWFOGHYBFKV-IBGZPJMESA-N 426.498 2.133 30 10 IEEE CN1CCC(OC(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851362250 PQGUOUKKXMFSDK-OAQYLSRUSA-N 427.526 2.085 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)c1C#N 1851539777 NRYIFYUXQBJHDV-UHFFFAOYSA-N 441.435 2.113 30 10 IEEE Cc1[nH]nc2c1[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2C(=O)[C@H]1CN2CCN1CC2 1851891248 HGNFVWIKTJYOSB-WIYYLYMNSA-N 446.555 2.235 30 10 IEEE CN(C(=O)C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 1852784268 WACUUORZJIFSAG-TZIWHRDSSA-N 437.521 2.291 30 10 IEEE N#Cc1ccc(CN2CC(=O)N(C(=O)[C@H]3CCS(=O)(=O)C3)c3ccccc32)c(F)c1 1853896796 WAIFKHACXQXZPV-INIZCTEOSA-N 427.457 2.012 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)Cc4cccs4)C(=O)C3)C2)c(F)c1 1854196775 VKFRGOQYBBTBHE-SFHVURJKSA-N 426.517 2.247 30 10 IEEE C=CCCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1854683335 WJNSFYFBTOFIIM-DLBZAZTESA-N 439.603 2.174 30 10 IEEE CCC[C@@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 1855469952 IDQWWPWNNCLPAB-ZWKOTPCHSA-N 435.521 2.472 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4ccc(Cl)cc4C3)CCC2=O)CC1=O 1856538752 OXADNGXZTPPRKV-VQIMIIECSA-N 429.948 2.498 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858964917 ZHOWPOAVFNOOET-UHFFFAOYSA-N 433.442 2.055 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862694265 FVFYZZLASJMZSR-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCN(C)C)c(C)cc2=O)nc1C 1870088119 NXXPRGVXTKGNDP-UHFFFAOYSA-N 448.545 2.234 30 10 IEEE CCCc1nnsc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890872814 FPGJNZMAASYQSR-UHFFFAOYSA-N 433.622 2.141 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN(C)Cc2ccccc2)c1 1891462322 PNRGZOUTHTXEBM-QHCPKHFHSA-N 439.581 2.400 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 2010226384 ZVMREWYZVGFVEL-LUKYLMHMSA-N 439.553 2.074 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010470930 QSBUGLXIJZLIQW-XUVXKRRUSA-N 428.533 2.153 30 10 IEEE CO[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)C1CN(C(=O)OC(C)(C)C)C1 2060637057 GEDZOYUQJUFBBK-HZMVEIRTSA-N 436.358 2.419 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2174779250 HESLQMMEFCJKPB-LJQANCHMSA-N 429.498 2.183 30 10 IEEE Cc1cnc(N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224124021 KHTXDRDZMZQLSJ-CVEARBPZSA-N 433.358 2.154 30 10 IEEE CC1(C)OB(c2ccc(-n3cnc4c(I)ncnc43)nc2)OC1(C)C 2232316061 LZTNPDMODYXBOG-UHFFFAOYSA-N 449.061 2.114 30 10 IEEE CN1CC[C@](CNC(=O)OC(C)(C)C)(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254636184 UDMHEJYCWCBMHI-JOCHJYFZSA-N 433.358 2.359 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254807071 WBIAAQOUGILAKS-OAQYLSRUSA-N 437.321 2.304 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2255538838 QGQPYCMDGXTKTA-ZDUSSCGKSA-N 448.354 2.027 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630990 RWNLPTJAWSDQID-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)o2)OC1(C)C 2255659932 ZPPQWDYWEUPMKF-GFCCVEGCSA-N 430.232 2.252 30 10 IEEE Cc1c(C(=O)N2CC[C@H](OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255816612 IJOYZSACMHZPPG-SFHVURJKSA-N 425.338 2.459 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826700 RGCDKPFLYCNKDZ-KBPBESRZSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256017447 RINIKDATWGYOHO-UHFFFAOYSA-N 436.314 2.268 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256624995 QHWMNDXBEPKKMY-DOTOQJQBSA-N 435.374 2.422 30 10 IEEE CC1(C)OB(c2ccc(F)cc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2266978443 RWWPLSUDIVBDSB-LJQANCHMSA-N 444.234 2.408 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267263929 LKWVFNGNGTVTNX-HZPDHXFCSA-N 443.353 2.318 30 10 IEEE CCC1(CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267503370 CHBZZQBXUQWVIC-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267518350 DMXLJIRQDVSIID-ZDUSSCGKSA-N 444.259 2.418 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267522270 WBBQPGYQKVAPQF-DZKIICNBSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CO 2267821356 PQEHTACLDNEOPQ-KXBFYZLASA-N 447.385 2.280 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1 2268622682 KPLUUNHJQQTYCG-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2268715104 GETCQLSSJJVWSH-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)nc2)OC1(C)C 2282185956 NUCBHXMVWFPZOB-FGZHOGPDSA-N 449.360 2.106 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1C 2296925733 XUMLHYPVHUKNGB-IBGZPJMESA-N 425.485 2.401 30 10 IEEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NN=c1ccc(-n2nc(C)cc2C)n[nH]1 2328794700 QPEKFRMGGPMAOG-UHFFFAOYSA-N 449.471 2.432 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2337198164 GFIPWYMNODNFFX-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE NN[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(Br)cc1I 2341629470 PCCWEXSZORKXFI-ZKCLLBTKSA-N 433.087 2.454 30 10 IEEE C=CCn1c(SCC(=O)NCc2nnc(CC)o2)nnc1-c1ccc([N+](=O)[O-])cc1 59882929 AAXGJBXYPXRWEI-UHFFFAOYSA-N 429.462 2.393 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1C 102703374 NSOTXTOELDMVAY-AGGMBTAESA-N 437.496 2.153 30 10 IEEE C[C@@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccncc3)ccc2O1 135646495 PCUPJZYQNCNYIZ-JZFJIDBXSA-N 449.507 2.159 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 426157192 QURPMSASLDKCKJ-UHFFFAOYSA-N 433.921 2.474 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@H]2CCCO2)cc1 462425238 CXEHSVSOPRRARF-LJQANCHMSA-N 431.517 2.178 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)C1=O 466500677 XHGNWJISYXEYSX-NHCUHLMSSA-N 431.492 2.139 30 10 IEEE CC(C)[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475155022 IOENBJAEFKOCEN-VQTJNVASSA-N 432.590 2.196 30 10 IEEE CCC1(CC)[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1OC 482725276 VHNSMSSQHDHOBL-OALUTQOASA-N 434.562 2.168 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 485090453 LUZBBXBRAHAZNV-UHFFFAOYSA-N 431.489 2.102 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1 492305807 WYCSGGUYHMCKLC-CYBMUJFWSA-N 444.757 2.316 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 507483540 XPLZCNIAAAKEKP-UHFFFAOYSA-N 445.453 2.470 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 508816182 GXLZXKBYAIBCKH-MRXNPFEDSA-N 443.895 2.317 30 10 IEEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)NCc1ccc(OCC(N)=O)cc1 549198292 HGXVNLCOFODGJO-UHFFFAOYSA-N 438.871 2.016 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2C[C@@H]2CCCO2)cn1 549858020 YCDDMUBJFBLZNE-KRWDZBQOSA-N 436.495 2.195 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)c1cccc(Br)c1C#N 553867884 YOWUAJVVNLLSMF-OAHLLOKOSA-N 438.303 2.168 30 10 IEEE N#CCCCOc1cccc(NC(=O)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 555577873 VNEQSKOZTFHXMT-UHFFFAOYSA-N 440.422 2.367 30 10 IEEE N#C[C@H]1CN(C(=O)c2cnn3cc(Br)cnc23)CCN1Cc1ccccc1 560610744 MTHGLYXQACVZAJ-INIZCTEOSA-N 425.290 2.342 30 10 IEEE C=CCN(C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 589468921 FCFUYYPRYBUUPF-FQEVSTJZSA-N 433.574 2.152 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)CC1 604172044 OSQSYKYJWQWLMZ-NHCUHLMSSA-N 441.620 2.294 30 10 IEEE Cc1oc(NC(=O)[C@H](C)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(C#N)c1C 613784867 MPWYMKRUYHEXCW-AWEZNQCLSA-N 428.514 2.172 30 10 IEEE Cc1[nH]ccc(=NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Br 617014203 AXQXWPVRMBUCRP-INIZCTEOSA-N 428.290 2.369 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCOC 726575760 YWVSNLAEXBWESK-INIZCTEOSA-N 440.565 2.463 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O 730140702 HFGDSXYOAXGYTQ-GOSISDBHSA-N 429.521 2.420 30 10 IEEE N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccccc1 731257498 YANRUXQVEKOSHZ-UXHICEINSA-N 427.501 2.427 30 10 IEEE Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732705562 CEOWBTDVNHMTSK-FQEVSTJZSA-N 437.544 2.004 30 10 IEEE COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 732705691 DGRYFJCUBZYKSB-SFHVURJKSA-N 435.484 2.328 30 10 IEEE COC(=O)[C@@H](OC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(C#N)cc1 740212056 GNKAWZBEZICDIC-NRFANRHFSA-N 442.493 2.389 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@H](C#N)C1 757595782 UGQDVKSJIUQSHY-HZPDHXFCSA-N 428.489 2.067 30 10 IEEE COc1ccc(OC)c(-n2c(=C(C#N)C#N)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)c1 758072018 QRTNBKLGUHYTQH-UHFFFAOYSA-N 448.460 2.159 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 758456800 JKXVYOQCECTJGY-UHFFFAOYSA-N 437.521 2.153 30 10 IEEE Cc1cccnc1/C=C/C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 759808992 YUADJNNKFWSEDG-VOTSOKGWSA-N 447.451 2.415 30 10 IEEE COc1ccc(Br)cc1CC(=O)NS(=O)(=O)c1ccc(C#N)cc1OC 766977149 RULGHGJRJVQHOX-UHFFFAOYSA-N 439.287 2.386 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 790108757 FAFSLFRCXGWIMJ-UHFFFAOYSA-N 446.463 2.194 30 10 IEEE C=CC[C@]1(C(=O)NCCN2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 790359731 SZJXAKCYSADJAH-HSZRJFAPSA-N 444.580 2.061 30 10 IEEE CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)C(=O)NCc2ccc(C#N)cc2F)cn1 804161783 BTSMVQOYWVULHJ-QFIPXVFZSA-N 449.486 2.292 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)cn1 1084429674 QOAYIKKCNQJTOS-UHFFFAOYSA-N 442.553 2.012 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)c(C#N)cn1CC 1130010228 AVYXGFJTPLHKST-KBPBESRZSA-N 443.504 2.242 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)O1 1133997028 ODLUIVJYRYSUHR-YUXAGFNASA-N 431.508 2.335 30 10 IEEE C[C@]1(c2ccc(CNC(=O)Cc3ccc(Br)cc3C#N)cc2)NC(=O)NC1=O 1136557251 XNORJKIFZADZCL-HXUWFJFHSA-N 441.285 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1148315462 ZKPFWSFBQVMMIQ-IBGZPJMESA-N 441.532 2.175 30 10 IEEE Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1159489527 FSNGEBZKEROJEU-UHFFFAOYSA-N 428.448 2.366 30 10 IEEE C=CCc1cc(CNC(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)cc(OC)c1OC 1225350128 GDWRKMNUDXECFM-UHFFFAOYSA-N 430.505 2.449 30 10 IEEE N#CCCn1cc(C(=O)NCC[S@@](=O)CC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 1278943887 ZFWZATOVANKEQC-SSEXGKCCSA-N 443.407 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1286299355 VGSNQUODOVGHKY-LPHOPBHVSA-N 427.574 2.069 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1286402541 FYFGXFFKCGJIOL-KOSHJBKYSA-N 438.528 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSc2ccccc21 1286419641 BQKVPBLOSUGCQL-IAGOWNOFSA-N 443.598 2.241 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cc(F)cc(F)c2)CC1 1286484572 MMHIUSYSXLSOEZ-UHFFFAOYSA-N 439.514 2.416 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286716925 UEGPKMSLCBULDA-HUUCEWRRSA-N 431.459 2.227 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1)C1CC1 1286738680 ZOJMXDHIUWOSHW-IBGZPJMESA-N 431.562 2.123 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1286746022 MWTADMJSOAMDLT-RBSBEOHCSA-N 448.614 2.284 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1288519774 PXMRUPQDPIZXGT-IAGOWNOFSA-N 443.552 2.165 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 1290405404 RSKWISZNDUGISF-HXUWFJFHSA-N 449.479 2.065 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1300018427 IKEOOQKYOYCAAP-PXNSSMCTSA-N 426.542 2.271 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnc1C 1300281851 DUPQELOGSPFOSS-INIZCTEOSA-N 426.546 2.402 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300295448 IASVAFXFEOFYMK-LNLFQRSKSA-N 428.562 2.002 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1300303985 LTDVLOMOVBLMOF-HNNXBMFYSA-N 433.516 2.358 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300492362 NCRCIUVBEXQZGE-QGZVFWFLSA-N 428.562 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1c(O)nc2ccccc21 1300512986 PFVCEPSHXSNTLD-DEOSSOPVSA-N 448.527 2.147 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1(O)CCOCC1 1300560731 ITHRMYGRAHOGOL-UHFFFAOYSA-N 438.528 2.357 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1301222103 RZGABVBOMUCYLI-IBGZPJMESA-N 449.621 2.375 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1301258558 VUCBXYJELARCJF-QGZVFWFLSA-N 432.546 2.041 30 10 IEEE C=CCn1c(N2CCCN(c3nc(CC)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1301473428 BSCVYAVHAMBWBB-HXUWFJFHSA-N 433.582 2.247 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1301519735 XNKPCEZRSHQBAY-HXUWFJFHSA-N 435.532 2.397 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C1CC1)N(C)C 1301967370 CENPWACOQOJGAD-PXNSSMCTSA-N 437.596 2.388 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1301967775 GNCVUEGAPWMMQJ-CVEARBPZSA-N 443.556 2.165 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 1306012693 ADAQRTATONPWEI-VQPPSCEASA-N 441.509 2.024 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1306503033 BZWKVDKIABWLEH-GOSISDBHSA-N 440.548 2.385 30 10 IEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1314230827 AUIFIOUDHHISRR-INIZCTEOSA-N 433.516 2.477 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1cccn(CC)c1=O 1314405921 FPOAYBDOBFINBO-NRFANRHFSA-N 448.527 2.494 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1314553261 TYOWINGBKIBWHU-IRXDYDNUSA-N 446.577 2.150 30 10 IEEE CO[C@]1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)CCOC1 1315271841 QKVUSLZOCNBFQG-ACJLOTCBSA-N 437.342 2.447 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1S(=O)(=O)NCC#N 1319486532 RWNUBRIKRXHZGP-AZUAARDMSA-N 430.505 2.111 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCS1(=O)=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1351512018 NEPJZMUMVKWTJM-INIZCTEOSA-N 440.568 2.310 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1358910956 GSQHCXFAGVZWFU-LSDHHAIUSA-N 435.550 2.067 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1358930131 OXLNXNDPUPJKMR-HKUYNNGSSA-N 432.521 2.311 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1CC 1358948901 OKOKRCHYITUZHI-UHFFFAOYSA-N 447.591 2.428 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1358968348 IWNSWNOTKHQSFS-UHFFFAOYSA-N 435.919 2.025 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359082270 DLYVHQJJQYTLNZ-KRWDZBQOSA-N 445.365 2.413 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)c1ccccc1 1359194788 BPDJMBVMHJKAAV-RTBURBONSA-N 448.614 2.109 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(C)(=O)=O)C1 1359314491 BWJFVYXONAKDFC-MRXNPFEDSA-N 442.488 2.372 30 10 IEEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1360399336 VBGFBPSTVRJNBH-OAQYLSRUSA-N 429.546 2.257 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1360817511 QEIYBLKCNPATGK-ROUUACIJSA-N 429.546 2.255 30 10 IEEE C[C@@H]([C@@H](C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)S(C)(=O)=O 1443932679 HZFMAWVUDPXYEH-JCMNDINGSA-N 427.567 2.053 30 10 IEEE C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@@H]1CN(C)CCN1C 1444410121 LIJDAPVEAIEKSY-ORYQWCPZSA-N 441.576 2.143 30 10 IEEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccccc1 1452199632 FOKXBZVGVYELBN-PMACEKPBSA-N 428.510 2.207 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 1455097239 SJQXRVYPQMFWFH-NZSAHSFTSA-N 446.326 2.054 30 10 IEEE C[C@]1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)C[C@@H](O)CN1C(=O)OCc1ccccc1 1456514619 TXGYFIAAUJVBJH-DENIHFKCSA-N 428.485 2.013 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](OC)[C@H](C)C3)nnc12 1457809779 HHTOZLWPVWCCOM-RHSMWYFYSA-N 427.530 2.206 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(F)ccc(Br)c3s2)C1=O 1461962453 GOZVAJYBCULKMJ-UHFFFAOYSA-N 441.238 2.113 30 10 IEEE CNC(=O)c1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1 1464447801 DKBRLPACIQBDEQ-UHFFFAOYSA-N 427.302 2.433 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCSCC3)c2)c1 1470724459 VMCQPDLWLFOHLU-UHFFFAOYSA-N 432.571 2.029 30 10 IEEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCC(F)F)CCO2 1494669857 UBIMDNSVEHJPKH-BTYIYWSLSA-N 433.459 2.483 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCOC1 1503645938 LZOALMJAPVQQRM-LJQANCHMSA-N 449.353 2.328 30 10 IEEE COCCOCCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1505043816 ICZIFJWWEKKWKJ-UHFFFAOYSA-N 425.537 2.192 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507595890 YNQFHXDKBULJOC-UHFFFAOYSA-N 445.589 2.351 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507628765 IEWGCHZBMORNEC-QGZVFWFLSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccs1)N(C)C 1507642339 SKDMDFUHUZXAJX-XMSQKQJNSA-N 427.574 2.367 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C)n(C)c1=O 1507676461 MBTFPAHHVCAHBZ-UHFFFAOYSA-N 445.523 2.384 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1507680058 WQAKHYLMIJSOTN-CABCVRRESA-N 439.969 2.469 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnccn1 1507806776 JJWCQFPKSJCALG-UMGGQSCQSA-N 428.537 2.410 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1516792692 CHAZUWGUDFCIPQ-KKSFZXQISA-N 431.562 2.239 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CC1 1517123837 DVDHSAFSXLSPME-SFHVURJKSA-N 429.546 2.257 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCCCCO)cc1 1521101843 JOKMJIOXLRDPCB-VQTJNVASSA-N 438.532 2.139 30 10 IEEE Cc1c(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)ccc(Br)c1C#N 1526122944 WOAGFQZFDKQPNY-UHFFFAOYSA-N 441.293 2.317 30 10 IEEE N#C[C@]12CN(C(=O)[C@@H](c3c(F)cccc3Cl)N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1539118244 JSXWHAKXEGSTHI-BOUXLOLZSA-N 439.940 2.403 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1539402721 HTVJHBRYLDIYKG-OAQYLSRUSA-N 428.924 2.090 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1 1539517223 KHLQIEPBCLELAJ-QGZVFWFLSA-N 434.587 2.062 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539722984 MIJALFSIUOBSQR-IRXDYDNUSA-N 445.568 2.482 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539759535 UUSSHTBWGIDIOG-JOCHJYFZSA-N 429.496 2.305 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539790823 NQPFUSNBZNMZRB-UHFFFAOYSA-N 434.903 2.010 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539989915 ADCHMKVZOCBQDL-UHFFFAOYSA-N 440.548 2.287 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1540137571 VAPVXAIVPSBQRR-FUHWJXTLSA-N 435.569 2.462 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1540870072 DTHBFUYHRSLUMT-IRXDYDNUSA-N 444.511 2.056 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1541623720 CTLPJUXFPRTTME-HXUWFJFHSA-N 437.592 2.458 30 10 IEEE C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1541858786 NUTRTPXVULOXCH-YCRPNKLZSA-N 434.466 2.310 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)N1CCOCC1 1541959780 FSAZFBOZIUJQTG-CVEARBPZSA-N 430.484 2.154 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(CC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1542028208 UBGVMOCZAXPSRR-LJQANCHMSA-N 439.564 2.375 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1543031013 IBARGZOOKRMGPI-IBGZPJMESA-N 445.593 2.095 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(C)(C)O 1555544571 FEPJSTOEXNZUNK-UHFFFAOYSA-N 440.548 2.200 30 10 IEEE CSCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1555919558 QDUHMUUDJPTHIM-OAHLLOKOSA-N 439.545 2.064 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1556564525 QWVRETPGWBAOIP-QAPCUYQASA-N 440.591 2.158 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1558463854 AHVKNKQIEAQZIV-QGZVFWFLSA-N 427.530 2.229 30 10 IEEE C#CCNS(=O)(=O)N1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1 1559266241 TYDPLMPHCDSSOW-UHFFFAOYSA-N 427.555 2.256 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cc(C#N)cs3)c([N+](=O)[O-])c2)CC1 1559291430 YOXGINIHJPHGIV-UHFFFAOYSA-N 435.531 2.100 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(CCO)(CCO)CC2)n(Cc2ccco2)c1C 1560066711 FLHGYCFBFFAREV-UHFFFAOYSA-N 428.533 2.403 30 10 IEEE CS(=O)(=O)C1(CNS(=O)(=O)c2cc(Br)ccc2C#N)CCCCC1 1561756022 GDSZFQXWPKQXNC-UHFFFAOYSA-N 435.365 2.347 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566577628 FDDCEWRKQHVIOB-SMOSDQRPSA-N 430.936 2.275 30 10 IEEE CN1CCN(c2ncc(Br)cc2NC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 1569120475 MSJNNYZPHUVEJO-KRWDZBQOSA-N 430.306 2.140 30 10 IEEE C=CCn1c(SCC(=O)N[C@H](CO)CN2CCCC2)nnc1-c1ccc(Cl)cc1 1569932691 ZDWADOKRMOUUEW-KRWDZBQOSA-N 435.981 2.450 30 10 IEEE C[C@H](CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)NS(=O)(=O)c1cccnc1Cl 1585233767 ZCVJKUJTUNJVHN-CQSZACIVSA-N 447.948 2.465 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)n[nH]2)c1C 1586591889 BBPNMWLLHMNKTA-UHFFFAOYSA-N 428.518 2.378 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1587666921 AWWQMRUWSYXYMD-MRXNPFEDSA-N 427.530 2.154 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1587767489 NLLHAIYOIYNUQD-IVZQSRNASA-N 432.496 2.106 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(CCOC)CC1 1587921665 FGXKLEQHNXNLIM-UHFFFAOYSA-N 430.578 2.433 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588030664 ZICQITWJRRACOD-NZSAHSFTSA-N 441.557 2.355 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1cc(C)oc1C 1588090408 WMSWNSFUNRZPAH-GOTSBHOMSA-N 426.517 2.121 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(NC(C)=O)nc1 1588166369 FGIUPKGIXHFCSD-UHFFFAOYSA-N 432.459 2.471 30 10 IEEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1588836923 OFMJGISUXYHMFD-SFHVURJKSA-N 428.581 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@@H]2C)CC1 1588876637 DIBJUKQISDLOGS-CADBVGFASA-N 428.581 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCO[C@@H]2CCOC2)CC1 1588908251 MIMRSUSQFQMSJU-OAQYLSRUSA-N 437.544 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(N(C)C)CCCCC2)CC1 1588954787 LSLSRHYAAVKLGC-UHFFFAOYSA-N 426.609 2.461 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1589242751 IEGUGNMOLXKDOD-RTWAWAEBSA-N 429.546 2.067 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1593886216 RHMSKLULZZEQQS-CQSZACIVSA-N 425.898 2.477 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1594568674 WUDQOTIYKXPIHC-RTBURBONSA-N 439.564 2.439 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1595171591 WWXAXGCDHFYDDU-UHFFFAOYSA-N 428.581 2.338 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595171839 ZRNPLPVXLLVPGL-GOSISDBHSA-N 443.596 2.060 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(F)cc(F)c1 1595537430 QYSZUBXPMHGBFS-UHFFFAOYSA-N 444.442 2.223 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1595569947 RXHCVYOOAXKXJY-UHFFFAOYSA-N 441.601 2.468 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)C1 1595674820 UXPMVLXVCQLTAX-ROUUACIJSA-N 425.537 2.191 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597337488 PMPGPAZTJAICBE-SGRLSNSRSA-N 441.580 2.068 30 10 IEEE CC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1613087543 SPAIUUALCXQCFI-LMVRJCEZSA-N 443.573 2.085 30 10 IEEE CCSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1617528115 XXZUBYKXKHBSTR-UHFFFAOYSA-N 442.593 2.153 30 10 IEEE COCCCN(C)CCn1c(C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1619835048 SNOHBFAVPOPAPO-UHFFFAOYSA-N 425.581 2.139 30 10 IEEE CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(O)C2=O)c(Cl)cc1Cl 1624906336 GHAXJSMTZAKOQP-TVQRCGJNSA-N 438.333 2.180 30 10 IEEE O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)N[C@@H]1CCN(O)C1=O 1624906657 PIIAPESHCHFAHW-MRXNPFEDSA-N 432.274 2.350 30 10 IEEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)NCc1ccco1 1626297737 AYEAAULBDFWAMY-JRAJSIKGSA-N 430.505 2.187 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCCc2nc(-c3ccccn3)cs2)c1 1627780655 JLFPKMCTMCDCMG-UHFFFAOYSA-N 440.550 2.479 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NCC1CCN(CC#N)CC1)Cc1ccccc1 1627909824 JKFKBOYOXHZWTI-UHFFFAOYSA-N 443.592 2.365 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCC2CCN(CC#N)CC2)C1 1629083091 WDOBUZKZRCCMPS-NZQKXSOJSA-N 428.533 2.154 30 10 IEEE Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)cc1S(=O)(=O)NCC#N 1629468953 GNAPOHKPDCWGIR-SFHVURJKSA-N 427.461 2.179 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1629545932 FYDHDGDCZVVDJT-QGZVFWFLSA-N 448.372 2.297 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1 1630062669 DNNZTASZUSAVMG-HJNYFJLDSA-N 436.533 2.370 30 10 IEEE C[C@H]1COCCN1c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1Cl 1631089056 PMAZUSJBTZVQSB-AWEZNQCLSA-N 448.932 2.354 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 1631853931 ULNSIMBKXOAYGK-OAHLLOKOSA-N 426.267 2.248 30 10 IEEE C#CC[C@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccccc1 1633350147 CJEFJSYXOYHDFW-NRFANRHFSA-N 426.542 2.191 30 10 IEEE C[C@@H]1Cn2nc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2CN1C(=O)OC(C)(C)C 1634104860 OPTFKCOEFGEDLI-CYBMUJFWSA-N 429.477 2.071 30 10 IEEE C#C[C@H](CO)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1637740225 FPBZVJJTRJILSS-CYBMUJFWSA-N 427.309 2.447 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1638151883 OFJYXRZPDJAOKU-IUCAKERBSA-N 427.292 2.210 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)c1ccc(F)cc1 1642805784 GDQQWZPXFNQHSH-APWZRJJASA-N 447.532 2.315 30 10 IEEE CCOC(=O)c1nnn(C2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)c1C(F)F 1647987780 XSKDJHUQAMTTFH-UHFFFAOYSA-N 446.458 2.217 30 10 IEEE N#Cc1c(N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)ccc([N+](=O)[O-])c1N 1651848810 QVNSWTAQGGOGKT-WBMJQRKESA-N 427.383 2.101 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ccc1F 1652332447 XFUJYDGHKYPISL-INIZCTEOSA-N 431.493 2.059 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1656601888 XJESZKLELFRPCE-QHCPKHFHSA-N 442.516 2.028 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC[C@H]2c2ccc(I)cc2)CC1 1658075242 SEZUMHSGNWRTRE-SFHVURJKSA-N 437.325 2.206 30 10 IEEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1660489564 NOIQJLOEQSAPFR-FQEVSTJZSA-N 433.574 2.153 30 10 IEEE C#C[C@H](C)NC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1674009558 JWYJZVVZSQWVLQ-IRXDYDNUSA-N 430.553 2.378 30 10 IEEE CC(C)(C)OC(=O)C1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 1682021835 OBHIEQFQXMIWEY-SFHVURJKSA-N 426.517 2.470 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCC/C=C\c3ccc(Br)cc3)C2)c(=O)nc1O 1683019198 LDEBBTHNXDVDDN-IWQZZHSRSA-N 444.289 2.253 30 10 IEEE C=CCCSCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1683692175 ZXYAEQUEMWPVIP-UHFFFAOYSA-N 447.346 2.222 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)NCCNC(=O)c1ccc(Br)cn1)C2 1683797455 CJWJKIGFXXREJJ-UHFFFAOYSA-N 442.317 2.408 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCC2(C#N)CCOCC2)CC2(CCOCC2)C1 1687576763 PWUIHNWAUSFVOF-QGZVFWFLSA-N 436.553 2.412 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1689827811 JDOVWVOMBNAJKJ-QZTJIDSGSA-N 441.532 2.134 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1689888771 QJCSXBKKLIDMGY-IBGZPJMESA-N 436.564 2.273 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN(C)C2CCCCC2)CC1 1690110305 GHTQDVSVHUISQI-UHFFFAOYSA-N 443.640 2.216 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690169891 RIBHFQOQXCYWGQ-UHFFFAOYSA-N 428.591 2.380 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)C(=O)NC 1690230820 RODVFOCIILKKPR-JTQLQIEISA-N 427.372 2.361 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690399367 UWTZNPJPIWTEMI-FUHWJXTLSA-N 426.583 2.229 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1690467507 ZPRQTXXENXGGLA-UHFFFAOYSA-N 431.566 2.087 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2c(ccnc2O)C1 1690632618 GKPUPKQWAVPZSL-UHFFFAOYSA-N 440.529 2.045 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccccc2OC)CC1 1690723030 FLONPWULCGZMIB-UHFFFAOYSA-N 445.589 2.482 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1692659499 GIXPKTMXQIIWSC-CQSZACIVSA-N 431.928 2.078 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1695067940 AGJQZKWBQHSCMD-RXVVDRJESA-N 431.562 2.381 30 10 IEEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)c(OC)c1OC 1697457905 CFJJAYSFKYMCOY-OAHLLOKOSA-N 442.520 2.070 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCO4)n3CCOCC(F)F)CC2)c1 1698488945 MZCUHXYAENWUIQ-MRXNPFEDSA-N 433.463 2.005 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705537709 OJXZLNBDJWSQEO-UHFFFAOYSA-N 430.597 2.141 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1705570654 RZPVWNZDRLSJOQ-NRFANRHFSA-N 442.585 2.178 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)[C@H](C)CC)CC1 1705647179 AHDNCEKZJXCJHY-FHJLPGHOSA-N 431.581 2.283 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CCOC)CC1 1705777729 LWTLLBVNDIUDSK-JOCHJYFZSA-N 438.536 2.111 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705832080 MFTOJLFBZJLHDT-IBGZPJMESA-N 436.516 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCC(C)(C)C1 1705929050 YSROTTNLYRSAHB-UHFFFAOYSA-N 425.599 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705936794 YMIPMXORRQAOSS-UHFFFAOYSA-N 448.568 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705938679 GZCNBTZESFMGHM-UEXGIBASSA-N 440.610 2.402 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705946027 XJECUIBSTVBLNX-SJORKVTESA-N 443.639 2.205 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1708516181 MSTWWQRPSZNYLL-QGZVFWFLSA-N 425.537 2.049 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1708522211 WHKGUTMPGXEVJT-QZTJIDSGSA-N 439.564 2.437 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1710824972 DIYGVSYNYVQJNN-QFIPXVFZSA-N 437.592 2.458 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1 1711294798 FIUFKGXLMKAOBM-MRXNPFEDSA-N 428.562 2.443 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)NCC)CC1 1722326039 DTSFIMXFXTZZBT-UHFFFAOYSA-N 432.931 2.409 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722362840 OZGCFRGTFMBVMH-SZMVWBNQSA-N 444.557 2.245 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1C 1722375053 JDGIDFHXPPZTGY-IEBWSBKVSA-N 426.542 2.094 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCCN1CCN(CC)CC1 1722400730 XRZWNGYSNYTFDP-QFIPXVFZSA-N 426.609 2.053 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1722442890 GSXRGGQGBGLLED-UHFFFAOYSA-N 432.528 2.088 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722454869 GPWWMUDPPZRTRU-UHFFFAOYSA-N 447.008 2.223 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722510999 WSNAESWLRUWOCS-PHXBYCTMSA-N 433.578 2.465 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1722537836 RODMUTPFYBLLEO-VQIMIIECSA-N 427.505 2.098 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cnccn1)c1ccccc1 1722539027 DLOPPIUSDRQYTH-QGZVFWFLSA-N 441.561 2.071 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722549194 GFVYMHXNKZBEGF-UHFFFAOYSA-N 431.913 2.194 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1722630035 UAGPQMUDZNCMOP-QFBILLFUSA-N 428.489 2.383 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)C1 1722717937 FLDZZJISPKRDRL-QUCCMNQESA-N 441.532 2.002 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1722731389 JNTQNFIWJYKLNE-IRXDYDNUSA-N 429.546 2.422 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1722813770 FYRGVJJSTHGBIB-FQEVSTJZSA-N 430.516 2.263 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)Nc1ccc(F)cc1 1727605555 DZPMYEMKXWWQTM-UHFFFAOYSA-N 434.479 2.212 30 10 IEEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1728249686 MOTMGEYIDZHJCH-HNBVOPMISA-N 439.516 2.450 30 10 IEEE CN(C)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729306660 OUNGLQWMCVGGQI-UXHICEINSA-N 449.559 2.012 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](F)C2)C[C@H]1O 1729783058 PXOXVRJEKHCQHM-NXWXRZEISA-N 427.480 2.315 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1740582536 OOEXKRLDHSOPLE-HXUWFJFHSA-N 430.509 2.051 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740586869 PYHAAEBRBIKYFI-QFIPXVFZSA-N 444.557 2.391 30 10 IEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1740616197 VTZVTUJWRGQEEB-KRWDZBQOSA-N 435.594 2.013 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(OC)CCOC1 1740662231 HCXFSGVJCPJKGW-JOCHJYFZSA-N 430.505 2.236 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1nc2cc(OC)ccc2n1C 1740682832 KUFHLINDTVAPHV-UHFFFAOYSA-N 431.500 2.370 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740718365 MYJNFBYVBNTFMW-JKSUJKDBSA-N 432.550 2.233 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC)C1CC1 1740910594 QOYBCNJASKYUBH-OAHLLOKOSA-N 432.546 2.401 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(S(C)(=O)=O)cc1 1740940239 YCNHZCHJTLDADE-UHFFFAOYSA-N 429.546 2.374 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(OCC)cc2C1 1740963472 LUCMEBCKPJVPRQ-UHFFFAOYSA-N 449.559 2.403 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1C 1742249362 BPHMOHAVHVTCDX-GCJKJVERSA-N 442.495 2.395 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)cc1C 1742253994 JYXYBUIHYSYPKS-FQEVSTJZSA-N 435.532 2.138 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccs1 1748882248 MGUQPYNNFNMUJS-UHFFFAOYSA-N 425.539 2.316 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1748955978 DUJXBIOHBWUEMR-FOIQADDNSA-N 449.349 2.334 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1)C1CC1 1749519038 DSEWKGIKAAHULQ-GOEBONIOSA-N 445.536 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749664135 GTIAGWNTCAUIPM-BTYIYWSLSA-N 431.924 2.285 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1749690254 PIALRFGARPSQRU-UHFFFAOYSA-N 448.527 2.424 30 10 IEEE CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CC1 1749869541 YXSGYPVKUJAFRK-UHFFFAOYSA-N 426.427 2.329 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cc(F)cc(F)c1 1750155247 YEKDIZUSIAFOAX-IPELMVKDSA-N 433.459 2.252 30 10 IEEE CSCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1750337186 MJTYTGVRODEEHE-WIYYLYMNSA-N 434.610 2.248 30 10 IEEE CC[C@H](C)[C@H](Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1752582233 CAXVKPSQBPDTBH-KXBFYZLASA-N 426.569 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCOC1 1760106103 YBHOBXGKDGFQJN-DJJJIMSYSA-N 435.322 2.326 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)C1CCC1 1760290365 CZQJVLOKKSJPPE-DHIUTWEWSA-N 429.565 2.229 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760356224 IKVAEVALEVQRJR-KRWDZBQOSA-N 427.505 2.230 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1760484684 HQPAXPRBJILSNG-HTAPYJJXSA-N 426.496 2.039 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1760574193 DKOHZIPKFIIXQD-UHFFFAOYSA-N 436.545 2.472 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1760695754 MZPXICBOEYADPE-ZIAGYGMSSA-N 440.620 2.415 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1765432892 CIDKYPAZQSBGRO-HZPDHXFCSA-N 448.369 2.259 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@@H]1C 1765537482 AVGYAAVMJFJLAD-SFHVURJKSA-N 434.548 2.349 30 10 IEEE CCOCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766535510 PXDHDCFXBPCPNI-IBGZPJMESA-N 442.568 2.187 30 10 IEEE CN(C)CCOCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1766933978 ILVZIYBVSBITBC-UHFFFAOYSA-N 441.555 2.461 30 10 IEEE CN(C)C(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1768423926 FMSZXRVOFJGAHO-IERDGZPVSA-N 427.553 2.008 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1770875707 DWPBNFXNBVBYBV-UHFFFAOYSA-N 449.515 2.304 30 10 IEEE CN(C(=O)CSCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ncccc1C#N 1851609921 PDDWCXQGVIHPJQ-UHFFFAOYSA-N 427.505 2.137 30 10 IEEE Cn1c(=O)n(CC(=O)N2CCCc3nc(C#N)cc(Br)c32)c2ccccc21 1852037698 BGLJWFZRCKWJER-UHFFFAOYSA-N 426.274 2.349 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CCC2=O)cc1 1853758984 PDCLAEVYIKSQTO-SFHVURJKSA-N 431.558 2.483 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854139772 XOTQTJVCXWIGNP-AWEZNQCLSA-N 431.901 2.415 30 10 IEEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@H]1C 1854255582 DTGWVILPVUUHGE-QAPCUYQASA-N 439.965 2.129 30 10 IEEE COc1ccc(Cl)c2sc(N3CCN([C@@H]4CCN(C(=O)CC#N)C4=O)CC3)nc12 1854565094 VJELMUIZHQITAT-CYBMUJFWSA-N 433.921 2.121 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(C(C)C)c(C(=O)O)cc3=O)cc21 1857887886 PQPJEGPBXQCXJK-UHFFFAOYSA-N 426.425 2.301 30 10 IEEE COc1cc(/C=C/C(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 1860635281 XWYCCARYURMTFL-BQYQJAHWSA-N 434.489 2.374 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCOCC)c(C(=O)OCC)c1C 1860761524 XCJNYMOYVYHKFI-UHFFFAOYSA-N 426.491 2.057 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 1861587288 XXXRNMDRHGRAEK-WEYGHZABSA-N 435.524 2.331 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(OC)c(O)c2)cc1 1862692172 GDCOEVXHCVJILK-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE N#Cc1nnn(-c2cccc(Br)c2)c1NC(=O)CNC(=O)c1ccccc1 1870152353 NSPFRVIEENSVDS-UHFFFAOYSA-N 425.246 2.270 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)CC1 1889413697 QQCKNCRJGZBGMY-UHFFFAOYSA-N 426.605 2.403 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1963727723 OVKYYRDBRGVPON-NJDAHSKKSA-N 442.560 2.495 30 10 IEEE C#CCOCCOCCNC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2015729400 AAXVYNIDVWBMIN-HXUWFJFHSA-N 434.533 2.269 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2067382276 BXVIBHRAZXARJD-MOPGFXCFSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cc(Br)ccc1C#N 2141245120 UDSWDEGCKZCORJ-LBPRGKRZSA-N 425.283 2.418 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1C=CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243416901 OECPZIBPUVGDLW-HNNXBMFYSA-N 428.360 2.269 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)C1 2244278592 RVWDMSYEUBWRPE-FQEVSTJZSA-N 427.542 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2247833067 AGDXVVTUTIGLIC-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248404603 NMAOWUIDORRMIE-CQSZACIVSA-N 440.371 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3C[C@H]4C(B5OC(C)(C)C(C)(C)O5)[C@@H]4C3)(C1)C2 2254729812 MWTFDRDYTYKCHG-LPINMEDASA-N 434.342 2.363 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255538390 KHFBEJNNQVSEFZ-SHTZXODSSA-N 431.342 2.414 30 10 IEEE CC[C@]1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2255616476 OQESVCMYQSUSEI-NRFANRHFSA-N 434.346 2.228 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2255823768 XMKDMCMZUJLESP-GDBMZVCRSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825596 CBTVTYPQNMWCHT-UONOGXRCSA-N 434.346 2.132 30 10 IEEE C[C@H](CCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256063978 XWNKBUTXCDDALI-CQSZACIVSA-N 434.346 2.199 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256921733 ACRKEFZNUQIDQO-WMLDXEAASA-N 429.278 2.367 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2267092159 UVDFNPQJOPPGIK-ZIAGYGMSSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267099776 NOUWZDRTQONTRB-KBPBESRZSA-N 446.357 2.084 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(Cc2ccccc2)C1 2267178424 BJSYZOAPTSGXLY-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267178737 GQDIOPKQQVUVFE-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267491668 HCWJFCWJTCKYTA-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(Cc2ccccc2)CC1 2267528007 AJWKYVKVJCGOSA-UHFFFAOYSA-N 438.381 2.376 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873622 ZJOPXCSINRKMEB-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE Cc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268621913 HBRLAFTUYXQTRY-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268715649 RKVBPMOIOFDGFS-INIZCTEOSA-N 446.353 2.008 30 10 IEEE O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H](c2ccncc2)C1=C(O)c1ccc(Cl)cc1 2296564590 ULXRTPPRKWAGNZ-WBVHZDCISA-N 432.885 2.344 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2301727580 KRDBKGDXCHYRAR-AWEZNQCLSA-N 440.371 2.317 30 10 IEEE COc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Cl)c1O 2322614725 YQRBQUDPMDEYAF-SNVBAGLBSA-N 447.300 2.070 30 10 IEEE CC1(C)CC(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)[nH]2)CC(C)(C)N1 20906784 LQCSLDINCZYCCJ-SRZZPIQSSA-N 431.566 2.474 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N/N=C2\C(=O)N(C)c3ccccc32)c([N+](=O)[O-])c1 105468825 SSNARWMJLWBLBA-UZYVYHOESA-N 431.474 2.418 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 410075497 RVXHFISNHNWHJA-IBGZPJMESA-N 447.532 2.003 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccccc1C#N 479374481 DRJTUWXMBPCMBX-HNNXBMFYSA-N 444.516 2.293 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2=O)cc1 486612573 RKQZTHWAOUMCKH-INIZCTEOSA-N 447.900 2.062 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1 486667784 WCKXTAYKBQZAMF-UHFFFAOYSA-N 448.571 2.296 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1 492420413 SORGXRFKOQXDDP-UHFFFAOYSA-N 439.413 2.090 30 10 IEEE Cc1[nH]nc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1C#N 508760977 FHLOSJOADMEARK-AWEZNQCLSA-N 438.307 2.144 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508954993 ZGCXIRRYSQBEIC-XLIONFOSSA-N 439.516 2.052 30 10 IEEE CS(=O)(=O)NCC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 510259035 SLYNQVDTCMEYQD-UHFFFAOYSA-N 438.619 2.478 30 10 IEEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCCN(c2cccnn2)CC1 524803853 JRQHDHCJTAIRFV-UHFFFAOYSA-N 443.467 2.213 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CC2(N3CCOCC3)CCCC2)cc1 531295189 HRMKYISSEOCECJ-IBGZPJMESA-N 428.558 2.433 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1C#N 533782386 LPGKDYFACXPEPE-UHFFFAOYSA-N 445.932 2.431 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)Cc2cccc(C#N)c2)c1 557163657 GUIRKAAJESESPV-UHFFFAOYSA-N 436.331 2.266 30 10 IEEE COC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccccc1 557254211 XULZJTCCOOJERK-IBGZPJMESA-N 426.904 2.364 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3csc(-c4ccccc4)n3)CC2)nc1 559884904 OVUXDJKSYAMICV-UHFFFAOYSA-N 432.509 2.042 30 10 IEEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)ccc1C#N 567622166 SZGAOKRCFXPWHR-IYBDPMFKSA-N 443.525 2.295 30 10 IEEE Cc1nsc(N2CCN([C@H](C)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c1C#N 573022440 GSZHYFVIMDOZCL-QUCCMNQESA-N 438.601 2.224 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1C#N 604000774 BHVJERNBOGWNNU-UHFFFAOYSA-N 446.919 2.206 30 10 IEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 619105799 MFYCURQFZWFSEL-MRXNPFEDSA-N 439.903 2.317 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 619569784 QJAIAMUAYAAEHP-KRWDZBQOSA-N 429.402 2.426 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 725763414 KGPWTZMUUKVZNZ-UHFFFAOYSA-N 448.548 2.004 30 10 IEEE CCS(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 735765561 NWCUSWNMVVNTKF-UHFFFAOYSA-N 426.903 2.265 30 10 IEEE CNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 747335850 JGSZIKMDWOWHME-UHFFFAOYSA-N 426.542 2.184 30 10 IEEE Cc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cnc2c1c(=O)n(C)c(=O)n2C 747903798 BXSNGNQFRBXWNA-UHFFFAOYSA-N 445.504 2.471 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](COC)C2CC2)c1 749819800 WTCSEYGPAZOHAB-UXHICEINSA-N 442.585 2.092 30 10 IEEE CO[C@H]1C[C@@H](C(=O)O)N(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757473514 GAGRRZVOWRHZID-AOMKIAJQSA-N 448.475 2.229 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 763213314 RKMYTGMJAANGNJ-MOPGFXCFSA-N 436.597 2.106 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccnn2)C1=O 766418522 GWVDFTGDPGTMSI-QGZVFWFLSA-N 446.964 2.330 30 10 IEEE COc1cc(-c2noc(COC(=O)[C@H](O)c3ccc(C#N)cc3)n2)cc(OC)c1OC 780214597 MSJJNTNGEGURRO-GOSISDBHSA-N 425.397 2.411 30 10 IEEE C#CCCOc1ccc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 792738526 GGERKAXWGLGBSW-NRFANRHFSA-N 435.572 2.025 30 10 IEEE COc1cc(Br)c(S(=O)(=O)N(C)C(=O)c2ccnc(C#N)c2)cc1OC 796649383 GFOFVHXZDQKMPR-UHFFFAOYSA-N 440.275 2.194 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800773225 CJAHKRVFSUVTKN-GOSISDBHSA-N 444.543 2.428 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812055751 BCXLTGOYTKVXPS-NRFANRHFSA-N 435.553 2.133 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](c2cnn(C)c2)C1 849574071 UQTAFSJSDDKARA-FRYIKTPZSA-N 444.580 2.109 30 10 IEEE CC(=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccccc1O 1084165563 UIGNYOJIDSIGPS-UHFFFAOYSA-N 430.494 2.261 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3nc(CO)[nH]c3c2)c1 1136281912 SQLQOGWBLJNRNP-CLCOLTQESA-N 427.486 2.120 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCS2(=O)=O)cc1 1136331844 OAORLUCSRNXTBY-SPGGGKMGSA-N 441.575 2.185 30 10 IEEE C=C(CCC(=O)OC)C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 1141356590 PUOMRYSYNSHXBV-YBEGLDIGSA-N 432.454 2.077 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)OC)c1 1144341226 LTVJZBCCOISYBC-SFHVURJKSA-N 431.485 2.384 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)C(=O)OC 1155780141 XWQXBSXEUVAYQT-WMZOPIPTSA-N 434.489 2.218 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)c1cc[nH]n1 1286421519 FJZZOJAZNCBLMI-UHFFFAOYSA-N 441.539 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCOC[C@H]2CCCO2)CC1 1286489928 DJKDJIKMIXUREK-OAQYLSRUSA-N 443.592 2.487 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286610791 BNSLYVVKZBBXSA-UHFFFAOYSA-N 425.599 2.075 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286712964 QALMPUACOAZABP-UHFFFAOYSA-N 438.511 2.112 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1286778988 CLZGIRHEOVPJDH-GOSISDBHSA-N 433.285 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC 1286820756 QZWGULPKGQPNLU-INIZCTEOSA-N 441.598 2.450 30 10 IEEE C=CC(C)(C)CCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1288553951 RWMNDUYNPYSTAR-UHFFFAOYSA-N 439.553 2.401 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(F)c(Cl)c1 1298144697 GZQMJBZHYKMLRI-UHFFFAOYSA-N 439.896 2.493 30 10 IEEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)Cc1ccc(Br)cc1C#N 1299928513 DNXWXPAYJJRVAH-IBGZPJMESA-N 425.290 2.494 30 10 IEEE COc1ccc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 1300060682 PDJLEWXZHJGATL-XUTLUUPISA-N 438.488 2.089 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300483361 KXZPVQFCLSOBLW-KRWDZBQOSA-N 432.546 2.168 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1300488228 CAHOTAZTQPHWQY-SFHVURJKSA-N 444.557 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@H]1OC 1300578583 MUWOPCOFZKGPPO-QIJUGHKUSA-N 436.512 2.305 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2Cc2cnn(C)c2)n1 1300680710 CTVIIOVHMLXDFB-UHFFFAOYSA-N 430.516 2.210 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C2CC2)N(C)C)CC1 1300725803 DQUNSRXCFPAOEJ-HSZRJFAPSA-N 448.615 2.483 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1301105665 LMQAUTVZPJYDCW-JQHSSLGASA-N 425.599 2.352 30 10 IEEE COC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1301399775 PQRSGRSFSBDHET-FZKQIMNGSA-N 428.518 2.387 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301528569 BRZHBAMOAIYKFJ-SFHVURJKSA-N 433.578 2.307 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC)c2)C1 1301565471 CONKEUSKTGCLIL-FQEVSTJZSA-N 425.533 2.377 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H](O)[C@H](C)O)ccc1Cl 1301673650 ZGTWSKAKHLWKFH-KSSFIOAISA-N 438.933 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(F)c(C#N)c4)C3)[C@@H]2C1 1302897523 HZPFTSKBFVKCCD-NXHRZFHOSA-N 444.463 2.352 30 10 IEEE CC(C)Cc1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302982916 XOUFIQGOVIUWJW-FMQUCBEESA-N 428.537 2.010 30 10 IEEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1-c1ccc(C(C)C)cc1 1307371250 AFHSMWUJNZTHFE-UHFFFAOYSA-N 434.496 2.288 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 1307989740 SAJKXRDYTUOHTM-HSZRJFAPSA-N 434.500 2.196 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)NCc1ccc(C#N)cc1)C[C@H]2C(=O)OC(C)(C)C 1308064386 GEVQUZFTLOBLTA-SZTYLXMGSA-N 441.528 2.017 30 10 IEEE CCc1nsc(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)n1 1309249018 FNJMNWBCRGQQHW-UHFFFAOYSA-N 442.364 2.246 30 10 IEEE C#C[C@@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1312936749 KNWCOAHOUHVPBC-MRXNPFEDSA-N 428.352 2.189 30 10 IEEE C#C[C@H](NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1)C1CCOCC1 1313043654 SKNUKDMMRSXVMI-BEFAXECRSA-N 439.512 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1358871916 LXVXOBJOXXTUNR-HZPDHXFCSA-N 428.562 2.460 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COc2ccccc2)C1 1358920366 XSUDWLQBYJMJEY-ZWKOTPCHSA-N 431.562 2.207 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358962765 WMRDILQEFCBAPP-WOJBJXKFSA-N 433.622 2.437 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(F)(F)CO1 1359017096 UEJUHSYBIQPSTF-SJORKVTESA-N 433.434 2.432 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1359073195 GTXBKXVKDLVDNG-NTKDMRAZSA-N 434.544 2.442 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359159555 YMQBGYBGXWIRDG-CEXWTWQISA-N 438.642 2.413 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)COCCO1 1359274339 KHDOMTBEZQBHAH-QHCPKHFHSA-N 427.549 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359298594 FOYBZSMCUJEWPK-QGZVFWFLSA-N 439.545 2.294 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)n3)CC2)cc1OC 1437071866 FDEUHWHAYKOKNI-UHFFFAOYSA-N 430.486 2.010 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1465942299 HJUQEDYEMKGNFW-AEFFLSMTSA-N 425.489 2.494 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccccc1 1477340374 XLNMVMCDBGIPBG-OAQYLSRUSA-N 427.526 2.022 30 10 IEEE Cc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1492776470 AFAHAYDUPQTXSN-LURZSEBBSA-N 435.532 2.218 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC(C)(C)C1 1495528093 GAKJSGXFRONEEH-INIZCTEOSA-N 439.564 2.437 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1496299093 ABNRTCRLLZFYKL-NIRMNWTQSA-N 432.569 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507532166 CGIJWDMSWKCOBW-VHSXEESVSA-N 429.834 2.141 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507591286 KLSOBQLNCHZMKR-KRWDZBQOSA-N 444.580 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1507740848 ZXJNQQBZNVXCFH-JOCHJYFZSA-N 434.588 2.499 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1507851971 FLHBQERQUMRHGS-RTBURBONSA-N 443.573 2.346 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1508326847 CUNMBRVJIPKSGG-IBGZPJMESA-N 438.532 2.139 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1510283047 AZYDLGBATVFIOC-JPYJTQIMSA-N 435.532 2.066 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1510294766 SLSZQMDMVFKRNK-IBGZPJMESA-N 427.505 2.320 30 10 IEEE CC[C@@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1512821436 XYMMIQAAQSBXMT-MEUCICPISA-N 426.525 2.171 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C 1515813277 HDVBWZPGYUOUGO-IRXDYDNUSA-N 444.543 2.278 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1517561615 CTUMSUZEKDXDRI-IBGZPJMESA-N 437.548 2.038 30 10 IEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)c1ccc(F)cc1 1517807374 BHSGPHJFAMWSGQ-JJRVBVJISA-N 438.529 2.011 30 10 IEEE Cc1cc(C#N)cc(NC(=O)c2ccc(I)cc2-n2cnnn2)n1 1527219197 ILSFBMGCPNUYMF-UHFFFAOYSA-N 431.197 2.094 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCCC1 1539172249 WTPIRTPZRYLLNW-UHFFFAOYSA-N 429.594 2.184 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)cc(OC)c1 1539420974 LNKPDWDDVUQHQT-UHFFFAOYSA-N 426.496 2.422 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(F)cn2)CC1 1539461744 KEYSIENUPBMPHK-UHFFFAOYSA-N 436.491 2.203 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1539510689 MWDUIYWOSHILAG-INIZCTEOSA-N 438.557 2.031 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1539734954 CQDSSHOBHVPCFG-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccnn2C)CC1 1540040251 PZXXZERDFAQWQZ-UHFFFAOYSA-N 427.553 2.111 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(OCC(N)=O)CC1 1540857905 VRARXZQOGYZYFJ-MRXNPFEDSA-N 448.568 2.049 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1540863222 RLIQFGWRIWHCAK-HNNXBMFYSA-N 445.495 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1540867653 CHGITFAYKWKQJP-QGZVFWFLSA-N 438.511 2.436 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1544466980 XCJGDCXPLWPPMJ-WGLILOHCSA-N 440.479 2.369 30 10 IEEE N#Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)nc1Cl 1544537129 UCXJGRAGAKLRQY-UJZCVKTISA-N 429.889 2.410 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCCN1CCC[C@@H]1CO 1546530916 HECGYKRGYQURBF-OAQYLSRUSA-N 437.592 2.276 30 10 IEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)COC)CC2 1548377621 RQZUAIMSMLQFHZ-QGZVFWFLSA-N 438.450 2.014 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1554149854 AWBXMFNCHXFMBD-OAQYLSRUSA-N 437.592 2.316 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(F)F)C1 1555985389 OAHHHYHXQHBSHU-LJQANCHMSA-N 433.394 2.318 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 1556749607 LONNSYRZDSARSR-GOSISDBHSA-N 449.916 2.441 30 10 IEEE CC(C)(NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCCO1 1560084896 GEOGWEYZJAPSHF-SFHVURJKSA-N 427.505 2.392 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)cc1 1583418155 HNMNLNBNTDONDR-FQEVSTJZSA-N 425.460 2.369 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1587621368 SRTXRUBIMLDILN-MRXNPFEDSA-N 449.559 2.295 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2COCCO2)c1 1587692791 LRRSQNGXIBMLLR-LJQANCHMSA-N 425.533 2.338 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1587758935 KFXBHIJXRSXXBP-SFHVURJKSA-N 425.537 2.448 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCN(c2ccccc2F)C1 1588628009 CCQAZKKVDPACJH-SFHVURJKSA-N 435.507 2.487 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOC[C@@H]2CCOC2)CC1 1588780849 XIAWKJQYRLCMEH-FQEVSTJZSA-N 439.560 2.152 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1589421597 RZNYALSUTLHQOJ-UHFFFAOYSA-N 428.375 2.364 30 10 IEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1589449378 CLVUZNRNOIKCMM-UHFFFAOYSA-N 436.310 2.053 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589503472 DLWNIJWVANQWJS-VQIMIIECSA-N 449.577 2.346 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1594668892 MGDBHHQMTBODCV-UHFFFAOYSA-N 443.515 2.485 30 10 IEEE CCc1ccc(C(=O)N(C)[C@@H](C#N)C2(SC)CC2)cc1S(=O)(=O)N1CCOCC1 1597813145 PDOZDDWPMJPSGY-SFHVURJKSA-N 437.587 2.130 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)cs1 1612402292 FJLGOLYGSPLZPP-SFHVURJKSA-N 440.570 2.291 30 10 IEEE C[C@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1612991835 FQYUDYFASJHLPM-SVMVAKDDSA-N 427.528 2.205 30 10 IEEE CC/C=C/Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1614274328 PXLJWYRDDXJWKR-PXPVJAHISA-N 440.573 2.491 30 10 IEEE O=C(NCc1cccnc1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cccc4ccccc34)S[C@H]12 1614388853 MVPYMTXFTKPAPB-KMKNWIINSA-N 448.548 2.354 30 10 IEEE Cc1cccc(C(C)C)c1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1614781156 PNIYYUHFNMLXGH-UHFFFAOYSA-N 440.500 2.294 30 10 IEEE COc1cc(Cl)c(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616336825 RFOGKQXCKAMKGI-BJOHPYRUSA-N 433.711 2.121 30 10 IEEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O 1617654330 PBSHOROZYREVDK-RTBURBONSA-N 432.952 2.465 30 10 IEEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1620035925 NEUGJIRISOCSHK-SFHVURJKSA-N 433.553 2.124 30 10 IEEE C[S@](=O)C1(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCN(C(=O)OC(C)(C)C)CC1 1624810291 YVVPXBOZUXQIPA-HKBQPEDESA-N 447.557 2.296 30 10 IEEE CNc1ccc(C#N)cc1NC(=O)c1ccc(I)cc1-n1cnnn1 1626030216 VBAAFZINJZPPAM-UHFFFAOYSA-N 445.224 2.433 30 10 IEEE Cc1nc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)ccc1C#N 1627179135 CBYDKDAIOUMSJB-MRXNPFEDSA-N 446.248 2.180 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1 1631164532 ZLPDXJYDDDODHC-FGZHOGPDSA-N 441.553 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)=NO2)C1 1631964741 ROWIVGGXHOQDIF-OAQYLSRUSA-N 425.489 2.231 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)COC1 1632051826 XDVPAQSLDHXNQJ-UHFFFAOYSA-N 430.505 2.443 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1 1634464461 CBWVSIJCJUVKII-UZUQRXQVSA-N 447.507 2.109 30 10 IEEE C=CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1635151696 OWWNOPWIDKWXKL-MRXNPFEDSA-N 442.603 2.217 30 10 IEEE CCC(=O)N1CCc2ccc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc21 1635924613 GWJSHFKALVXRGZ-AWEZNQCLSA-N 440.525 2.442 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)c1c[nH]c2ccc(I)cc2c1=O 1637186386 SJQGFYNWWBDELV-CYBMUJFWSA-N 436.249 2.435 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n[nH]2)c1C 1639974142 XGYQDKGLGJQDCU-LJQANCHMSA-N 443.511 2.479 30 10 IEEE Cc1cc(O)nc(N2CCC[C@@H](NC(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)n1 1645352885 DVOUEYMITNQKTF-GOSISDBHSA-N 436.516 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 1646266325 FHKGWVLLCKLZQU-IBGZPJMESA-N 432.542 2.423 30 10 IEEE CC(C)c1ncc2c(n1)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1646271490 OINHDMMEFKTHFK-UHFFFAOYSA-N 427.530 2.004 30 10 IEEE N#Cc1cccc([C@H](NC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)C(F)(F)F)c1 1650792221 KMADDPDXNSVMNX-LZWOXQAQSA-N 445.405 2.248 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1651220583 CHGSDHPDNLMQFZ-MRXNPFEDSA-N 429.473 2.148 30 10 IEEE C[C@]1(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)COC(=O)N1 1652065847 GSEIAZZKCLRLJW-LHSJRXKWSA-N 430.892 2.302 30 10 IEEE Cc1c(C#N)c(=O)n(Cc2csc(-c3ccc(Br)cc3)n2)c(=O)n1CCO 1656828727 WSFWIQMXJIPGQA-UHFFFAOYSA-N 447.314 2.117 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 1657701181 GSZQIBRJRSCKIF-QGZVFWFLSA-N 429.498 2.157 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H](O)COc2ccc(I)cc2)C1 1673819844 OPOMOEOLJCXOKT-IACUBPJLSA-N 429.258 2.022 30 10 IEEE CNC(=O)[C@H](CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)Cc1ccc(F)cc1C 1673920122 NBAONEWUVHFIPD-FPOVZHCZSA-N 426.492 2.286 30 10 IEEE COC[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CCCOC1 1685323635 BQMMMJCBUSHZJM-FPOVZHCZSA-N 438.532 2.222 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1689848016 MZUXMKPBNMLQQX-INIZCTEOSA-N 430.516 2.305 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCSCC2)CC1 1690135292 ULWHESSWVFCEPB-WOJBJXKFSA-N 446.665 2.001 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690155015 COTSRRCXAVOGBT-IRXDYDNUSA-N 426.546 2.155 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690319078 CBSISRGSVPDAOG-LJQANCHMSA-N 441.580 2.227 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CC 1690518670 QXHSGQZHGQWHOT-SFHVURJKSA-N 432.594 2.302 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1690527992 WASHLTYOUVZPLA-AWEZNQCLSA-N 445.467 2.187 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOCC1 1690560670 YINIQEDRZQBIQR-NRFANRHFSA-N 449.559 2.016 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690674043 MYPCJXSVHGHENX-UHFFFAOYSA-N 436.560 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690720020 YBWTWGUTHHYTAB-MRXNPFEDSA-N 430.534 2.175 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1691003390 GRHKVZOHFQYYSL-NVXWUHKLSA-N 446.506 2.472 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCSC(C)C 1692533611 AXOMXBIIASXLPP-UHFFFAOYSA-N 442.593 2.151 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1695537312 GNVSFUKSCCTADB-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1697167248 AOVJVFRXMBPMSG-KXBFYZLASA-N 426.521 2.378 30 10 IEEE COCCN(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1698025280 GCWJJPUDDUDUIK-QFIPXVFZSA-N 443.552 2.104 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(Cl)ccc1OC 1698255874 WKFTUNPIAQVGLZ-YJLNNSPDSA-N 447.923 2.441 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1698437061 JRVWECMUXGDTJE-QGZVFWFLSA-N 426.546 2.293 30 10 IEEE N#Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)(=O)CC2)o1 1698489016 WBUOHPGJWRRRRT-UHFFFAOYSA-N 449.439 2.294 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)NC 1705541836 SPBAFFYOPOXEPS-OAHLLOKOSA-N 439.969 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(N(C)C)CCSC1 1705600469 ZSHZXTBPRAGJED-XMMPIXPASA-N 447.612 2.417 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(C)cc(OC)c2)CC1 1705647686 LBDDAMJUXBLNJN-UHFFFAOYSA-N 445.527 2.066 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1705818588 PANHSUYDUNVCET-INIZCTEOSA-N 435.532 2.250 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705903818 VRDSMNJRFKJHKX-QZTJIDSGSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC)[C@H](C)C1 1705937763 DGMKBWQSGLRVOV-LJQANCHMSA-N 447.605 2.297 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1705943950 OWHSBYBMCLFMHX-KRWDZBQOSA-N 442.589 2.484 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1Cc1ccc(C#N)o1 1706854680 MBHLOTYSAKLTCP-ZDUSSCGKSA-N 432.481 2.177 30 10 IEEE Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)s1 1707709580 APAFRCMXPFIOSE-UKRRQHHQSA-N 438.517 2.223 30 10 IEEE CCOCc1nnc(N2C[C@H](C)C(F)(F)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710757616 DAFCWCMASUQHHZ-BDIVNLMLSA-N 438.479 2.069 30 10 IEEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1711269542 OSTQPVPEHDYPSW-UHFFFAOYSA-N 444.421 2.341 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CC1 1712442821 JXJFPMKOAGFOIZ-UHFFFAOYSA-N 435.532 2.189 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCC2)CC1 1712705249 LCENIIGXSSETFK-QGZVFWFLSA-N 426.546 2.255 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722366275 HELZYYNATXDEQN-INIZCTEOSA-N 434.949 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CCCO1 1722394124 NWFYOVQBZGOINI-QFIPXVFZSA-N 440.573 2.270 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCC2CCOCC2)CC1 1722450506 KRMWOPPGJVXAPH-HXUWFJFHSA-N 429.565 2.302 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722462090 XZKZJNUBOFEHOY-FQEVSTJZSA-N 437.573 2.425 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1722678723 WGWSVNCPCPMVRK-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1722719781 ZTYKNEJXPCEYQM-DLBZAZTESA-N 426.583 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1722729803 XSMBTYWYSFXJMB-IBGZPJMESA-N 447.580 2.283 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722736751 GXHIACOWINNQKX-QGZVFWFLSA-N 436.626 2.025 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N(C)C 1740650757 MKFSBSGUMWBKLW-UHFFFAOYSA-N 444.333 2.267 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H](C)C1 1740657614 ULHPWFNKPKQATK-LEWJYISDSA-N 445.633 2.155 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1740698003 MEVRPAXIZKQACD-UHFFFAOYSA-N 441.461 2.481 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740806065 FCNKRIAMCWZCRM-AWEZNQCLSA-N 425.942 2.176 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1740941501 MOBQSEUHTQMADQ-RTBURBONSA-N 445.589 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](C)(C(N)=O)C1 1740954257 HBHYAPSHUKMYON-QFIPXVFZSA-N 442.589 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740992590 RIWMCQHSCVOBMZ-CKEIUWERSA-N 449.404 2.403 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCN(C)C 1741370512 RVVVHOUUBIBGHV-UHFFFAOYSA-N 429.544 2.317 30 10 IEEE CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747753109 CCFPYVNYXVXWIB-ZZEZOPTASA-N 437.460 2.227 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C)cs2)c1 1748693103 XZVQSWOKJVUJHL-KRWDZBQOSA-N 449.540 2.099 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1748740665 SRYQMEVWVMEXRC-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2([S@@](C)=O)CC2)CC1 1748978120 NIPNTEQPUUMAFZ-AUMHUTNHSA-N 445.564 2.224 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1749032295 BMRZDAWUKBBCRU-QGZVFWFLSA-N 435.557 2.164 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cc(CO)nn2)CC1 1749331727 VSWYSKGBWBHWMI-UHFFFAOYSA-N 438.492 2.430 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)C1 1749697597 LKXXBWCMBGPROV-NFBKMPQASA-N 428.533 2.252 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749698435 SKXGCDLKZAQJEN-UGKGYDQZSA-N 437.592 2.458 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1750076655 QNEJRTDHSMVPJT-IEBWSBKVSA-N 425.537 2.048 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCSCC2)CCO1 1750387966 GJVMOIGPHXJFGW-SFHVURJKSA-N 432.981 2.300 30 10 IEEE CC(C)[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750680632 IOYOHDMOZQBGSF-NHKNDPDJSA-N 430.553 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C(C)(C)C 1760193550 IMOFOLVNIGLILM-UHFFFAOYSA-N 434.544 2.382 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760452998 UJXMCLASOQLCCG-UYAOXDASSA-N 425.533 2.473 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 1760503380 HLKPRIJSSFBCLG-FQEVSTJZSA-N 435.532 2.317 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2[C@@H]1CC 1760522621 XQBGWGCFGBVUNX-ZBFHGGJFSA-N 449.602 2.058 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CN(C)C2=O)C1 1760542913 LKZCWTLLTZRNOQ-IVZQSRNASA-N 431.487 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC)CC2)C1 1760549892 OHZADQCMDGUCKJ-HXUWFJFHSA-N 430.597 2.304 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1761283139 IJJLBSOHUSXNRP-ROUUACIJSA-N 448.465 2.255 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCCn1cc(CO)nn1 1763036456 NTJVEYBWMJIKMG-HXUWFJFHSA-N 434.548 2.345 30 10 IEEE C[C@H]1COCCN1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1763239765 CJASRSJYUYOQDP-KCXPTXFHSA-N 434.560 2.359 30 10 IEEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCCCC1 1766903793 GWUAXYCGIBCNKV-SFHVURJKSA-N 434.610 2.185 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCCC2)CCO1 1767709184 YORNMGVIGDWIMD-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1768086214 CGDHOHUBTKXVJG-MOPGFXCFSA-N 429.546 2.255 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769281652 IQXFNEXTOHJVKK-RTWAWAEBSA-N 442.539 2.350 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1C[C@@]1(O)CCO[C@@H]1C 1769822352 CQIHKWRXYATZKC-HXOBKFHXSA-N 425.533 2.295 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1770933933 TXZLDGJZDDDDMS-HSZRJFAPSA-N 441.532 2.397 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCCCN2CCC[C@H]2CO)cc1 1771532580 GPMNRMSVIFBMAN-QFIPXVFZSA-N 438.576 2.262 30 10 IEEE COc1ccccc1N1CCN(C(=O)CON=C(N)c2ccc(Br)cc2)CC1 1848481410 PEECZMARQFXHGM-UHFFFAOYSA-N 447.333 2.443 30 10 IEEE Cn1cc(C#CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 1850310199 SESXKPBDPPGWIW-HXUWFJFHSA-N 428.558 2.039 30 10 IEEE CN1C[C@@H](CO[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)CC1=O 1851325255 DFTCESHLABTQRY-AZUAARDMSA-N 428.510 2.274 30 10 IEEE COc1cccc(C#N)c1OCC(=O)NCCCN1CCN(c2ccc(F)cc2)CC1 1851873470 GJVMDQJPKAQVHB-UHFFFAOYSA-N 426.492 2.413 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(CC(=O)C4CC4)CC3)cc2)c1C(F)(F)F 1852147550 ONASMOKQKNRCAY-UHFFFAOYSA-N 431.418 2.500 30 10 IEEE N#Cc1cc(C(=O)O[C@H](COc2ccccc2)CN2CCN(c3ncccn3)CC2)ccn1 1852250389 HKXAORNPIILZPY-QFIPXVFZSA-N 444.495 2.170 30 10 IEEE N#Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 1852573208 TYJDAAKVDRVNEL-UHFFFAOYSA-N 442.479 2.328 30 10 IEEE N#CC1CCN(C(=O)C2CCN(CCCC[C@@H]3Oc4cccnc4NC3=O)CC2)CC1 1852758552 HWSIGRBCTBFFNM-FQEVSTJZSA-N 425.533 2.426 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)[C@@H](C)C2=O)cc1C#N 1857098885 OEHARDDHDKKRAA-HNNXBMFYSA-N 429.473 2.209 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c(O)c1)c1ccc(Br)cc1 1862470047 DLPRKFRURSQPFE-MRXNPFEDSA-N 434.242 2.431 30 10 IEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476299 HVTIHVGFFKQKHO-OAQYLSRUSA-N 438.480 2.317 30 10 IEEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862563646 IAQGKCCCOKUEGD-GOSISDBHSA-N 427.413 2.497 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862630616 XWWIGTVCETZSCM-WLRWDXFRSA-N 427.409 2.089 30 10 IEEE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C)[nH]n2)C(=O)Nc2ccccc2C#N)cc1 1866831275 PCPCUGZDIZEWSD-FQEVSTJZSA-N 431.452 2.495 30 10 IEEE CCCCCCCCC(=O)Nc1nc(N2CCOCC2)nn1[C@@H]1CCS(=O)(=O)C1 1869952442 CSXCTIKLPVNCRI-MRXNPFEDSA-N 427.571 2.163 30 10 IEEE COc1ccccc1CCC(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870146986 RPVDBWMSRKOQIW-UHFFFAOYSA-N 445.527 2.471 30 10 IEEE C#CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871006719 UDOCERBPLRUDTB-HSZRJFAPSA-N 436.556 2.403 30 10 IEEE Cc1nc(I)c(I)n1C[C@@H](C#N)NC(C)C 1936400643 YJVHUQYYMSUYKC-MRVPVSSYSA-N 444.058 2.291 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)CCN(Cc2ccccc2)C1 2221951409 USPMHSMGCAEPKL-WUMKDDEVSA-N 440.544 2.297 30 10 IEEE C=CCCC1(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2247407075 KYYXRUJKKKFBNW-UHFFFAOYSA-N 439.553 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2247863842 XFULNGPNNVLEBC-UHFFFAOYSA-N 437.371 2.245 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247893367 QOOHRWFLLYXFIH-CYBMUJFWSA-N 440.371 2.005 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247918978 NTFQQCUTJQEFDB-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248569870 AFIOVQISPRSRJJ-HXUWFJFHSA-N 425.310 2.208 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255382960 OHOZSBSVGUUCKA-MRXNPFEDSA-N 432.374 2.344 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCNOCc1ccccc1 2255820846 WANMTXQWNFADTM-UHFFFAOYSA-N 426.322 2.446 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255826047 JOQFLBPZSXMUBL-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2255827169 HDEWQPZLNIALPJ-CQSZACIVSA-N 436.362 2.061 30 10 IEEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844381 VYISFSJDYKMBEF-UHFFFAOYSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256891149 XIRVBBFSSUCTLR-NRFANRHFSA-N 437.321 2.304 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2259926599 PIQAWIBTRKVWNW-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267184042 RVJTWVIQGLWJKU-GOEBONIOSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@H]1NC(=O)OC(C)(C)C 2267198094 TWQHZCPFNBMTHC-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267511068 WPTDEEQMHIQONM-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267515384 NNAASEGGSSMVBM-CVEARBPZSA-N 448.373 2.237 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267539342 ZRPKDGHCNKSLOI-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267574339 UXPOMBGHYBEABE-UHFFFAOYSA-N 446.353 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267806273 VDILEGLUBGVTFT-RPVQJOFSSA-N 444.337 2.429 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268653474 NMSPMBLEDKVDIA-KDOFPFPSSA-N 446.353 2.102 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268721874 RFOYXTVUFBZLCB-CQSZACIVSA-N 447.345 2.290 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H]2COC[C@@H]12 2268994677 XKDIFBQZRRDMSA-USXIJHARSA-N 449.332 2.248 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2278693250 RZLOLVMFIQONEC-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)ccc2Cl)OC1(C)C 2282499114 AHKQALPNWTUHQK-MRXNPFEDSA-N 443.758 2.213 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1C 2296925453 GKYVWSTVHQVPLG-GOSISDBHSA-N 429.473 2.385 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339512 DZGNEBYTOKSJEO-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2302368160 SNEBRNRGRWWKEX-UZUQRXQVSA-N 430.501 2.423 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)B1OC(C)(C)C(C)(C)O1 2303681288 ABAKNHPOKMVREQ-CABCVRRESA-N 448.366 2.393 30 10 IEEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2319263007 BGFUDMNEPFYPEX-ZDUSSCGKSA-N 447.728 2.488 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C[C@@H](O)CNC(=O)OC(C)(C)C 2320126333 UGJIWCJOMGNHDQ-KRWDZBQOSA-N 438.349 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CN=c3cc(B4OC(C)(C)C(C)(C)O4)c(F)c[nH]3)[C@H]2C1 2322296562 FDQMXWOOHOLIPS-HUUCEWRRSA-N 433.333 2.467 30 10 IEEE COc1ccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SCC(N)=O)cc1 2328369208 FZWSSTGHRWPBCE-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(O)cc1 2330718928 SXPSCNVOIZZLPU-UHFFFAOYSA-N 442.476 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)cc(F)c1C#N 2333599640 JHULKHODMYLXIN-ZNMIVQPWSA-N 430.274 2.213 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)c(C)c1 20292282 LOHQLUTZHMQUFP-ZVBGSRNCSA-N 427.490 2.197 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2N)cn1 20920704 VLTFWZYONQKIRK-AERZKKPOSA-N 435.464 2.224 30 10 IEEE C[C@@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(C(N)=O)cc1 96482191 KRICYFSQNDVKPH-NXIHDVOMSA-N 441.406 2.013 30 10 IEEE Cn1c(=O)c2c(nc(NN=Cc3ccnc4ccccc34)n2Cc2ccccc2)n(C)c1=O 254707599 BCKUNDMWRUMOAG-UHFFFAOYSA-N 439.479 2.476 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCCOc1ccc(C#N)cc1 433207337 KPRQXRJNVONIES-CYBMUJFWSA-N 441.431 2.439 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 474352806 GJERSAXNDCFRDF-SFHVURJKSA-N 425.554 2.301 30 10 IEEE COC(=O)C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(OC)cc1OC 480686679 DSNAHGYTWNHBCM-SFHVURJKSA-N 436.461 2.438 30 10 IEEE CCC1(CC)CN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CCS1(=O)=O 481071167 HYPDUODSTGXVME-AWEZNQCLSA-N 427.548 2.193 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 483188216 APPIAAIRCGZAQV-SFHVURJKSA-N 436.493 2.449 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@]2(CCOC2)O1 485038886 FOTOYXPVEWXMAQ-NRFANRHFSA-N 443.891 2.132 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 487273041 SFNCYYYHPRXUAR-KCZVDYSFSA-N 436.537 2.160 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1OCC 523397229 NUHJWEBBWIYFRF-KRWDZBQOSA-N 435.477 2.282 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1cn(C)nc1C(F)(F)F 537248567 LTXJDLWKHJISRB-OAHLLOKOSA-N 440.495 2.341 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2n[nH]c3ccc(I)cc23)CC1 610291859 RBKQJJUEGWBSAU-OAHLLOKOSA-N 437.285 2.473 30 10 IEEE Cn1cc([C@@H](NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C(F)(F)F)cn1 618557517 TZCSUTJBNFOWEI-PKOBYXMFSA-N 438.429 2.161 30 10 IEEE CC(C)(C)CN(CCC#N)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 731848594 VYZJMYQIGVRSOT-LICLKQGHSA-N 432.590 2.393 30 10 IEEE COCCNS(=O)(=O)c1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 735478059 JXKFLVZHYOOKNR-UHFFFAOYSA-N 442.497 2.105 30 10 IEEE C#CCCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 742213979 SAXMHBOLLXEERW-LJQANCHMSA-N 425.558 2.361 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 753062177 OVGXIIUYJJKEBH-ZRRVKFQUSA-N 449.511 2.209 30 10 IEEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(Cl)c(F)c1 755059048 JPXUNXIUSSOXNK-SASZOBLLSA-N 435.887 2.050 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C[C@]2(C)CCCO2)C1=O 756070462 PDQDVSUANFKKQZ-UWJYYQICSA-N 436.553 2.394 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cc(C)ccc2C)C1 760301840 NYMKGCRYIGPGHP-DOTOQJQBSA-N 431.562 2.175 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767744965 HXXMRNDCXQGLEH-KFLOCBGVSA-N 435.521 2.046 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1)c1cc[nH]n1 772539178 WWAIYEFJZVITIX-OAHLLOKOSA-N 432.481 2.344 30 10 IEEE C=C[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 781579500 XBDSGWUUNVJPBF-AWEZNQCLSA-N 444.937 2.079 30 10 IEEE COC(=O)CC1(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CCS(=O)(=O)CC1 784757358 DSADPZLIYKRKJK-UHFFFAOYSA-N 443.525 2.206 30 10 IEEE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 787057337 VJZNZEHHMQXZLN-NHCUHLMSSA-N 434.452 2.456 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C)c1cc[nH]n1 789988017 YRGTVMLFEARMSL-LPHOPBHVSA-N 428.489 2.299 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)COc2ccc(C=O)cc2Br)n1 790105650 UHPLTZMCDNMGDM-UHFFFAOYSA-N 434.290 2.145 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)n1 790106208 WYSMLBQPMWQELK-UHFFFAOYSA-N 435.406 2.423 30 10 IEEE C=CC[C@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 790563521 FYALNLKBJSKCAA-FDDCHVKYSA-N 436.597 2.391 30 10 IEEE C[C@H](C(=O)OCc1ccccc1[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 798857968 ZNXJZBJLXSHVIS-IVZQSRNASA-N 441.488 2.283 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C[C@H]1CCCO1 811725475 BVIVAWYWGUQVAX-OAHLLOKOSA-N 430.411 2.006 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 812270120 WUQZDFCMIZMORX-BRWVUGGUSA-N 434.541 2.361 30 10 IEEE COc1cc(CNS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 812511124 QHUSEQJXPIRTQY-UHFFFAOYSA-N 438.550 2.233 30 10 IEEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 915865297 HTHWMWKBMPTERG-HXUWFJFHSA-N 441.509 2.111 30 10 IEEE CC(=NNc1nc(SCC(=O)Nc2nc[nH]n2)n[nH]1)c1ccc(Br)cc1 1084387818 CHOYPEKYDUVWLU-UHFFFAOYSA-N 436.299 2.252 30 10 IEEE COC(=O)c1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(S(C)(=O)=O)c1 1130049883 XPQVKQADMLQQIT-GOSISDBHSA-N 427.482 2.356 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)n[nH]2)c1C 1135216764 CZNNUPZFXOFGSW-UHFFFAOYSA-N 433.472 2.380 30 10 IEEE CS(=O)(=O)NC1(CNC(=O)Cc2ccc(Br)cc2C#N)CCCCC1 1136097823 SIIBSHWQIPOUKS-UHFFFAOYSA-N 428.352 2.232 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1137092694 CYYWDHQEQNJSHQ-OAHLLOKOSA-N 440.493 2.200 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(N)c1 1156559843 DFHOWCKXCZCURG-IBGZPJMESA-N 432.933 2.348 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1161759870 NXFWEOPVNXBCJM-WFASDCNBSA-N 436.452 2.386 30 10 IEEE C#C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)C1 1197219647 FQFMPMOUPRVMBT-DLBZAZTESA-N 433.530 2.137 30 10 IEEE N#CCCC[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 1229130754 DPCPSFRNCAYOQM-PMACEKPBSA-N 434.562 2.258 30 10 IEEE CNC(=O)[C@@H](CNC(=O)NCC#C[C@H]1CCCCO1)Cc1ccc(C(F)(F)F)cc1 1230616190 KZKBTGHDBNXKAZ-SJLPKXTDSA-N 425.451 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286298183 GPDZASBFQVHGDE-XCDZQEORSA-N 445.564 2.264 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCOCC(F)F)c1 1286311648 LNZRABGURXTYDN-QGZVFWFLSA-N 433.459 2.468 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286312737 ZOACCRHBDCKSOX-UHFFFAOYSA-N 442.593 2.058 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286339252 KFWYCTGIWYOZJY-QHCPKHFHSA-N 441.532 2.347 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCCC1 1286377301 VFHRAUAOUOQBPH-RTBURBONSA-N 446.596 2.388 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286386616 DVZQGRTZGBYPBQ-MSOLQXFVSA-N 445.564 2.053 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1286395230 RQYQIXGJXBDIAK-OXJNMPFZSA-N 436.603 2.073 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1286397865 VGBFLGRNRLFIOT-LJQANCHMSA-N 434.537 2.132 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1286410667 VMZXNYUJONLAAP-VAMGGRTRSA-N 445.633 2.010 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286462891 ZQHGHKZDUWMDCK-WOJBJXKFSA-N 426.565 2.234 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286594330 LTFVSFKUIHQMIR-IBGZPJMESA-N 437.592 2.409 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1286755487 ASNTZWHERQNVOG-LJQANCHMSA-N 440.928 2.466 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OC 1286768202 UXKUEADJUHIFQS-UHFFFAOYSA-N 426.477 2.097 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286779183 PLCSWUUOUHBXTM-LPHOPBHVSA-N 428.493 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1286815309 RBPBVVXJDIWXNT-MRXNPFEDSA-N 429.546 2.421 30 10 IEEE CCOC(=O)C(CC)(CC)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1287521629 LMSSUIULNMJEMS-KRWDZBQOSA-N 428.489 2.249 30 10 IEEE CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)COc1ccc(C#N)c(Br)c1 1291775162 FEJPQZRRMZRFDD-CQSZACIVSA-N 444.351 2.020 30 10 IEEE COC(OC)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1299729009 WQNGGTGVDJACQB-QAPCUYQASA-N 447.561 2.116 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1300372180 BDFNHIFDOPDSBC-UHFFFAOYSA-N 426.521 2.131 30 10 IEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300393982 MAMNZIGPCWPTJZ-SFHVURJKSA-N 449.577 2.137 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)S(=O)(=O)CC 1300449140 NIZQTBBUNZVXFE-UHFFFAOYSA-N 426.546 2.234 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1300604098 CQHJAUKONRAQDA-UHFFFAOYSA-N 444.499 2.446 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300989469 ONYBDUOKTYYUFG-IBGZPJMESA-N 432.569 2.103 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300993743 FWOBHOKWMOWVBY-OAQYLSRUSA-N 426.565 2.015 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@H]1CCOC1 1301286844 MDLHKLFAKPYILU-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnccn1 1301481896 QOIVTZZYSRJEAY-HNNXBMFYSA-N 425.468 2.286 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1301490341 RIWSZDDLCUUYIE-MRXNPFEDSA-N 441.492 2.233 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301600506 AYBFLFZOEJAOOS-MRXNPFEDSA-N 430.490 2.413 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1301601650 SJIUUGGSDPUSIC-UHFFFAOYSA-N 446.533 2.068 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(F)c1 1303380094 UDBRJBVYAJPAIF-UHFFFAOYSA-N 435.463 2.139 30 10 IEEE CC(C)OCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1303548800 SLCKZAUDPLNBNM-FQEVSTJZSA-N 425.472 2.178 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 1313923954 BKQHHELACOIQBP-CTNGQTDRSA-N 437.592 2.315 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315877063 BWTHTLXBUBVKQK-BSBNDGSWSA-N 439.520 2.053 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1316027648 OCPYJOINXRPJEK-CBQGHPETSA-N 438.576 2.382 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(COC)CCOCC1 1316283286 VEUQBQXPSNANNQ-OALUTQOASA-N 433.553 2.185 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOCCCO)C1 1316527244 JMVZAYUANVHGRT-LJQANCHMSA-N 425.411 2.387 30 10 IEEE C=CCOc1ccc(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1349533036 KIMBZOCYXQZISG-UHFFFAOYSA-N 446.525 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(CCN(C)C)CC1 1358873398 ISQZJKITYSIEAM-RDPSFJRHSA-N 446.640 2.050 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1359003152 AFZFTCQCSOTFCD-GCJKJVERSA-N 444.557 2.146 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1359067402 MATLADUTXHRJDJ-OAQYLSRUSA-N 428.924 2.235 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359098304 ZRDCJVBOOJFHOV-OTWHNJEPSA-N 438.594 2.167 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1359300465 CJNAYWKZEJVGEJ-UHFFFAOYSA-N 441.536 2.404 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC 1359301118 SDLQLJLZRLZRHG-INIZCTEOSA-N 436.557 2.125 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@]3(CNC(=O)OC(C)(C)C)CCCOC3)CC2)c1C#N 1436556704 RFINORGDNNQZRE-NRFANRHFSA-N 449.577 2.293 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1442835705 DAOPAFBAQJBAEZ-KRWDZBQOSA-N 445.520 2.049 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)c1 1447186933 PAJUTIVSIPIOIU-UHFFFAOYSA-N 440.521 2.333 30 10 IEEE COC1(OC)CCOC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1460723897 OVQFSGPRUQYJGX-HXUWFJFHSA-N 426.517 2.331 30 10 IEEE COc1cc(CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OCC(F)(F)F 1464923864 ZNHCYVUVWZYDEI-HNENSFHCSA-N 441.406 2.212 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1503759563 BUOAPHAIGIVAHI-AZUAARDMSA-N 436.516 2.036 30 10 IEEE COC[C@@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504593407 KIMNDORXUZHOOC-FUHWJXTLSA-N 444.511 2.123 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507515693 IFCWJEFJWJYHTA-LUKYLMHMSA-N 425.599 2.188 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCc1ccn(C)n1 1507703930 JSEQUCWWPZGWKZ-UHFFFAOYSA-N 446.353 2.108 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507872993 HUGZIORYWYHFFN-QYZOEREBSA-N 439.988 2.303 30 10 IEEE C=CC1CCN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1507899970 APFMLDKIDWVGAM-UHFFFAOYSA-N 442.545 2.455 30 10 IEEE C=CCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507954501 VKEKMJTXTZBCQT-QFIPXVFZSA-N 427.553 2.402 30 10 IEEE N#Cc1cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)co1 1520404957 FGJNRQFMPDRYAN-CQSZACIVSA-N 438.303 2.497 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1537498340 KPBVUHQLHZHZQI-RYGJVYDSSA-N 427.567 2.247 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN1Cc2ccccc2OCC1=O 1537841113 DKSKWWREDAEJFQ-QGZVFWFLSA-N 430.505 2.111 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCN(CCN(C)C)CC1 1539154267 HNXAMVDPDBFFJJ-UHFFFAOYSA-N 440.592 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC=CCO1 1539323945 MTUKCVNQKAGNNY-OAQYLSRUSA-N 431.544 2.260 30 10 IEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1539496665 BUFBSCKLRAKBEJ-CQSZACIVSA-N 435.351 2.141 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539507443 WZAHFLYIXOQGDY-FQEVSTJZSA-N 433.541 2.495 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539953251 GHRXGNBYBZVIGD-INIZCTEOSA-N 431.562 2.372 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cc[nH]n1 1540784612 MSCNCLHRPYWJLA-GOSISDBHSA-N 447.923 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1540866497 PAAKRBIYSGTRJE-AWEZNQCLSA-N 447.923 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1540867627 BPFRFWRRIKVLGO-HXUWFJFHSA-N 448.527 2.446 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1541117624 KAYFPGYOKQDNPZ-AEFFLSMTSA-N 433.507 2.216 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC(C)(C)O1 1545059157 IOMWUVWOKOLXIU-QMHKHESXSA-N 438.532 2.211 30 10 IEEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)COC 1548380154 SAXZMIWXEXGOPZ-KRWDZBQOSA-N 438.450 2.157 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1554856610 PPUXDBBSOUYVOM-HTAPYJJXSA-N 437.504 2.072 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1555471700 YXRPLQBVFWUBJG-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1 1556168446 JVHWZSJKZOMDRC-JOCHJYFZSA-N 440.565 2.370 30 10 IEEE C#CCn1cc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 1556465704 SXXSXBMNCQDFIK-FQEVSTJZSA-N 425.533 2.158 30 10 IEEE CC(C)C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1557115436 UZVHSDMCYNLSSM-WBVHZDCISA-N 437.562 2.345 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 1564940012 IAPGEYMPIQGMGE-IAGOWNOFSA-N 445.568 2.125 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)[C@H]2C1 1569788158 QDYJSFJUJMTBKB-PIIMJCKOSA-N 433.530 2.359 30 10 IEEE C=CCn1cc(CNC(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)nn1 1570505467 GFGABUAQCCDCCI-UHFFFAOYSA-N 433.440 2.473 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1585804666 DXGBVACGEBYCLU-NHCUHLMSSA-N 428.577 2.226 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccccc1F 1587620437 DZUCQOJQDSYSDF-CQSZACIVSA-N 438.463 2.033 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CCC)C1 1587922188 VDGUKDMYBYCSCU-SFHVURJKSA-N 443.621 2.348 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588050905 XNOUJWGGEGBFIB-LBPRGKRZSA-N 433.481 2.153 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1588218704 ARDZMJNUDRIBND-LJQANCHMSA-N 445.571 2.478 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)cc2)CC1 1588914192 ZVHGLZPKUSFUAC-UHFFFAOYSA-N 432.528 2.306 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3cc(C(=O)OC)c(C)n3C)ccc2c1=O 1588944590 DBHRPFRGIACREL-UHFFFAOYSA-N 426.498 2.235 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(n2)CCCC3)CC1 1588968519 MPNZODLSZXACDM-UHFFFAOYSA-N 436.560 2.103 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1589007790 RCXYVLLDXVHTJS-KRWDZBQOSA-N 426.502 2.031 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1593889105 BAOBKMICJCFOMW-UHFFFAOYSA-N 438.910 2.158 30 10 IEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1594687084 DETHXGVXDWASOH-UHFFFAOYSA-N 436.358 2.474 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1595788638 FCSUGEIAVORDMM-UHFFFAOYSA-N 447.561 2.057 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595804930 IQGHACJPZCWFKG-UHFFFAOYSA-N 447.605 2.081 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595854840 OTUIJGRBEUGRMP-QGZVFWFLSA-N 428.562 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C#N)c(Cl)c2)C1 1597577209 SZNRZAWGJZVJBU-OAHLLOKOSA-N 441.937 2.366 30 10 IEEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1603419514 MZNTVYIDMFHGMA-RBUKOAKNSA-N 434.610 2.421 30 10 IEEE CCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCS(C)(=O)=O 1614517626 UKQXJSYPZNFIAS-SFHVURJKSA-N 447.642 2.209 30 10 IEEE CN(c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1617734493 WSWNGVWCOLFJTD-NXHAUGRDSA-N 442.907 2.350 30 10 IEEE COC1(C(F)(F)Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1619014021 BPLSMYMJCHHBSS-UHFFFAOYSA-N 447.490 2.011 30 10 IEEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C 1622727223 ZSOIMDYGGWNEQT-MRXNPFEDSA-N 425.551 2.400 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCS(=O)(=O)C[C@H]3c3ccccc3)cc2C1=O 1626875746 PIRKGTXJSDCHHT-FQEVSTJZSA-N 438.505 2.471 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)COC1 1631611338 UEYUVZMBSAZVMM-UHFFFAOYSA-N 430.505 2.142 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)s1 1636384616 BIFUHQMQVAPFCU-GJZGRUSLSA-N 441.619 2.249 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1640675010 JZHOKHKQDBUQJC-ZWKOTPCHSA-N 433.553 2.391 30 10 IEEE CN(C)C(=O)C1CCC(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1640947098 GQUHTBOENYWPCW-UHFFFAOYSA-N 434.544 2.492 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 1641027437 VSDMEUZDWPZIFV-QGZVFWFLSA-N 428.470 2.151 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2ccccc2)CC1 1653786491 YQAVFVPOPCDBCD-LJQANCHMSA-N 427.526 2.496 30 10 IEEE CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1655341688 URHKWCSJFZZCCC-SJORKVTESA-N 439.516 2.383 30 10 IEEE O=C(NCc1nc2ncccn2n1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1683255032 WWPLCKKJZMWPKW-OCAPTIKFSA-N 444.286 2.437 30 10 IEEE C#CC[C@@H](CO)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1687014226 LEJHGWBZRYKCOW-IHPCNDPISA-N 431.533 2.472 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1687652940 ZNPIYORFYKDLRK-SJLPKXTDSA-N 428.537 2.288 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1689847299 WUHKLQORYRSRNJ-WOJBJXKFSA-N 432.576 2.347 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1689943355 QMJHJIDDZUGNCH-ICSRJNTNSA-N 446.573 2.455 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cccc(F)c2F)CC1 1690111948 NEXQMSQLJSOWFH-QGZVFWFLSA-N 433.503 2.278 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CC 1690196790 YERZCPDLVBDXKL-YADHBBJMSA-N 445.589 2.349 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1690236326 LJCPJANRKFLYCB-YNIZLOQISA-N 446.596 2.281 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2sccc2C)C1 1690685831 DXTKKKPOHARJAN-HUUCEWRRSA-N 425.580 2.088 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1693882350 CVWDRDZQPMNTGE-JKSUJKDBSA-N 449.602 2.494 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)s1 1694621481 BJYOEHJURPYKFG-INIZCTEOSA-N 425.518 2.357 30 10 IEEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCS(=O)(=O)C1 1694752977 AQBHQWNMBKJKGJ-MJGOQNOKSA-N 429.546 2.115 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1697096251 GYMDNAWVSYUKEZ-JOCHJYFZSA-N 440.504 2.185 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1697211027 BSNRXIFXWPOYTO-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1705600598 FRIJIKDLXJKPCR-NRFANRHFSA-N 433.556 2.450 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)nc1 1705668515 NWIGPVJHAQLBNY-HRAATJIYSA-N 446.577 2.113 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705691342 VQBFSKPUHQVUDJ-HUUCEWRRSA-N 444.374 2.091 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC2(CC2)c2ccccc21 1705928954 XDGRSLLHKRGQTL-UHFFFAOYSA-N 429.546 2.200 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1711162834 JMVLJMZOJHTBEV-IEBWSBKVSA-N 438.532 2.116 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCOCC1 1711975708 KRWYPLJVUWVACQ-QHCPKHFHSA-N 442.539 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1722296046 MZHMQBINFRHPNY-YESZJQIVSA-N 432.546 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722296906 BUBGMBLQAKDBLL-SJORKVTESA-N 440.573 2.090 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722312711 IMUXCCWVBJHHGE-UHFFFAOYSA-N 429.532 2.384 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722333166 HRZSLLBHSBIZDG-QGZVFWFLSA-N 425.493 2.215 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722366397 INYQQVLBBJZKES-KRWDZBQOSA-N 434.537 2.299 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2c(C)cccc12)[C@H]1CCS(=O)(=O)C1 1722369107 YNWBMEPZEPFQQN-SFHVURJKSA-N 425.558 2.500 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1722369328 XTSFERBHWVOQBM-INIZCTEOSA-N 442.570 2.088 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1cccs1 1722373057 DJOQDESYNDFUPW-FCHUYYIVSA-N 428.558 2.361 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCOCC)CC1 1722437521 DXNOVSOREBIBKG-UHFFFAOYSA-N 449.559 2.028 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F 1722465121 ZETYCUHBQNYFCH-LJQANCHMSA-N 426.487 2.390 30 10 IEEE C=CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722621816 CKIRKPMHUYGXQG-BGYRXZFFSA-N 432.613 2.407 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1722640632 PWHARVJFFHVIPU-FHWLQOOXSA-N 431.562 2.037 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)OCCc2sccc21 1722679823 MTYBBXRFEFYIBN-KKSFZXQISA-N 431.562 2.418 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722687832 MTQPBACPUJFCIY-UHFFFAOYSA-N 446.914 2.341 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1740589213 RNJMDXCBEUHBSO-UHFFFAOYSA-N 440.529 2.021 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1CCO[C@H](C)C1 1740684261 LVPLJRLLYYIOAQ-SJORKVTESA-N 429.521 2.297 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C)CCOCC2)CC1 1740700117 GQCQIGZIUQAVGF-UHFFFAOYSA-N 439.560 2.438 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1 1740717339 PTOBKGVVFNBVRJ-CYBMUJFWSA-N 436.525 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740750105 LTUBGZNHBNMNFL-GGPKGHCWSA-N 446.596 2.283 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740760594 QIYKBQMYOGSILR-DYESRHJHSA-N 427.553 2.045 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@H](C)C1 1740992125 BCOXOECIIXUXQD-HUUCEWRRSA-N 440.516 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C)CC2)nnc1[C@@]1(OCC)CCOC1 1740993452 BDMJHVCUUNDMMQ-FXAWDEMLSA-N 426.583 2.157 30 10 IEEE CCn1cc(CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1746349374 DYFYAPFZBHZWBR-XUTLUUPISA-N 438.536 2.315 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCNC(=O)C1CCC1 1746363212 POSCHFRHXDQJCV-UHFFFAOYSA-N 447.547 2.219 30 10 IEEE CCN1CCCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1746420659 NWMJELVNMAPWNP-KRWDZBQOSA-N 443.552 2.247 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1748667420 UCNBAZPTNMRNCH-GVDBMIGSSA-N 442.564 2.352 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748804095 CQJUAOCSGUWWPR-HNNXBMFYSA-N 430.427 2.419 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCn1c(O)nc2ccccc21 1748965515 SSOIEVFNBZOTLZ-UHFFFAOYSA-N 431.500 2.105 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749238955 FQGLIFZAHYXORQ-KRWDZBQOSA-N 444.511 2.145 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@H]2C1)c1ccccc1 1749242468 JJQWEXONQBEBID-PKOBYXMFSA-N 427.505 2.356 30 10 IEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1749687445 SDYLEPHBKPGXLB-UHFFFAOYSA-N 433.578 2.486 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@H]1CCOC1 1750138439 XGTVAADYVNKJNW-AABGKKOBSA-N 433.553 2.185 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1751095157 UWZWSCPPEISKPS-YESZJQIVSA-N 445.568 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1760099317 DWPLIZMXORNBMG-GAJHUEQPSA-N 425.533 2.185 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760187783 GPOHXSBLOCQZMI-MHORFTMASA-N 431.562 2.104 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760190530 RRARJKVSLOCELB-IBGZPJMESA-N 446.548 2.466 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760192603 KOJZAXJZGMPARZ-GBESFXJTSA-N 438.594 2.208 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CC1 1760210728 VWAAKFAZNMSDQO-KRWDZBQOSA-N 443.548 2.222 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1760272149 AGYKFCGWIVJOEX-MJGOQNOKSA-N 430.622 2.236 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760284056 GGQLENDJBVSHOH-TZIWHRDSSA-N 440.617 2.177 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C 1760516697 SZBBGGVGAQOZOZ-QZTJIDSGSA-N 440.548 2.004 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1760528450 CMUDTCZKWMURNL-HXUWFJFHSA-N 441.532 2.488 30 10 IEEE CCc1cnc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1762687147 KQSVGUIAJMEWBS-HRAATJIYSA-N 446.577 2.309 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1766311384 GKOZCGOXYVYBAQ-JOCHJYFZSA-N 426.496 2.427 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1770664215 FCFJNCHAALIHKV-OXFYSEKESA-N 427.505 2.364 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)c2cccc(O)c2)C1 1770726858 AUYLLDNDNKYOSB-QFIPXVFZSA-N 435.463 2.308 30 10 IEEE COCCOCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1771268783 JODGQADEDFHVBA-OAQYLSRUSA-N 449.515 2.238 30 10 IEEE COc1nc(I)ccc1OCC(=O)N1CCC2(CC1)C[C@H]2C#N 1849075974 RRMFHLRHWNMOJO-NSHDSACASA-N 427.242 2.226 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)CCC2 1851788006 UTMDRCGSLCFTAQ-FQEVSTJZSA-N 447.605 2.293 30 10 IEEE COCc1c(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nnn1-c1ccccc1F 1853035798 YPVHBHRKZQFKBR-UHFFFAOYSA-N 449.386 2.037 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)COCc2nc3ccccc3s2)CC1 1853294559 UFWQEOFUDKAMPH-UHFFFAOYSA-N 437.525 2.445 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CC[C@@H](Oc4cnccc4Cl)C3)C2=O)ccn1 1854336500 NSHLCEBZGVIAAZ-SJLPKXTDSA-N 425.876 2.286 30 10 IEEE CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1855394206 LBOBYHOIHGDMJE-AEFFLSMTSA-N 429.542 2.237 30 10 IEEE COc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)cc1C 1856005472 YCCVBYZOBNLFLC-UHFFFAOYSA-N 427.482 2.267 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccccc3C(F)(F)F)C(=O)O2)CC1 1856635752 SOTIGYWHPVFKFS-OAHLLOKOSA-N 445.419 2.232 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2c(F)cccc2F)cc1 1858978784 CEXJZIWOZSDSDD-UHFFFAOYSA-N 437.468 2.040 30 10 IEEE COc1ccc(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)cc1OC 1860887670 DZXXXVYPZRIXQX-UHFFFAOYSA-N 448.439 2.290 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F 1862605824 CPGDACJTVBOBAU-FQEVSTJZSA-N 440.427 2.311 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1C(=O)O 1862629151 PCBVYYHKODWJDR-ZMZPIMSZSA-N 425.393 2.073 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN(C)C)ccc1O 1862738029 QMEDRIIOZMJHRN-LJQANCHMSA-N 441.440 2.449 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862738311 YRGOYKCNTDNCDV-BBATYDOGSA-N 428.397 2.268 30 10 IEEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863210508 AYJZXQSKDHCFIK-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1 1867176289 OGQNHGZRTZHGCX-LJQANCHMSA-N 430.468 2.085 30 10 IEEE N#Cc1ccc(COc2cn(Cc3ccccc3)c(CN(CCO)CCO)cc2=O)cc1 1870348874 PPMPDIKSDGPRIQ-UHFFFAOYSA-N 433.508 2.134 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(N(C)C)cc1 1870983272 PUIISEZCAQANOG-NRFANRHFSA-N 440.544 2.386 30 10 IEEE C=CCn1c(C(=O)NCCCOCC)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873591902 WVYAPODEXLCGHU-UHFFFAOYSA-N 444.536 2.052 30 10 IEEE C=CCn1c(C(=O)NCc2ccncc2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593746 HCOXVNLXPJHCCY-UHFFFAOYSA-N 449.515 2.221 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)c1 1874353944 JXWULRNZAQATMF-FOKLQQMPSA-N 441.513 2.472 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccncc1 1874431449 SFPIDSSVJKKTOL-AUEPDCJTSA-N 427.465 2.061 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3sccc3Br)CC2)CC1 1889224636 JWTLZRWWRGHCMS-UHFFFAOYSA-N 440.407 2.383 30 10 IEEE CCOc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)ccn1 1890068641 YPPOHRNFOURFOJ-UHFFFAOYSA-N 428.577 2.131 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCCC5)CC2)cc1 1892116965 OKHQYTISBWZFCE-GOSISDBHSA-N 435.553 2.379 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 1897696675 OLHKJDIJDZQEFL-JKSUJKDBSA-N 425.526 2.158 30 10 IEEE C[C@H](C#N)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994711910 GKMWMCXUJZZLPY-IEBWSBKVSA-N 436.578 2.187 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060641745 MNKFIHNMUQMYJS-NRKLIOEPSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCN(C(C)(C)C#N)CC1)Cc1ccccc1 2060786218 REQWQOAXJUEDHH-UHFFFAOYSA-N 443.592 2.460 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2073245420 IFKSGVFKCGWUNG-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C#N)c(Br)c1 2141248426 PWOTZEUCHLIAHQ-CYBMUJFWSA-N 425.283 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1cc(Br)ccc1C#N 2141249015 UDSWDEGCKZCORJ-GFCCVEGCSA-N 425.283 2.418 30 10 IEEE C#CCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O 2159131184 AQFMFXRVWXPESX-SNVBAGLBSA-N 425.098 2.357 30 10 IEEE Cc1cc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)ccc1C#N 2174779151 GCEHCZHRGXNTSV-IBGZPJMESA-N 429.498 2.183 30 10 IEEE C=C(C)CN(CC)C(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195276269 GKFBDHUUKQBAHF-PBYQXAPXSA-N 438.546 2.318 30 10 IEEE C=CCn1ncc(NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2201302750 LCMUAJBJNAARCW-GOSISDBHSA-N 443.342 2.366 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2244370098 COHOURLPEDFACZ-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE Cc1c(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534947 OFRQEOOHFQSSJV-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808821 OOJAEMFZYSHDOA-LSDHHAIUSA-N 431.342 2.271 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3CCOC[C@H]3OCc3ccccc3)c2)OC1(C)C 2255859837 VQALTTXTXQWZQD-AZUAARDMSA-N 426.322 2.418 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2255873276 CRVUZJSCDFKIOW-GDBMZVCRSA-N 433.358 2.450 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N(CCCC(=O)O)Cc2ccccc2)OC1(C)C 2256923282 MDUPQCFAXZUMQF-UHFFFAOYSA-N 425.294 2.283 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2257486219 FUNXTROXBHOCHE-GOEBONIOSA-N 431.342 2.332 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258233849 AFDBMVKKOBVXFK-NSHDSACASA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258958180 FIGXIFMPLAJKSH-DLBZAZTESA-N 436.358 2.447 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267001815 PWBLBBREENFLSF-OSYLJGHBSA-N 443.353 2.224 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267005187 KVZVNAIAEAOVEP-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009823 OXHQVVPKJOQKBH-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267143284 GGHATKUKQSXNOQ-RRFJBIMHSA-N 446.357 2.084 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CC1 2267184966 PQROWYDRUNYKCW-HXUWFJFHSA-N 438.381 2.360 30 10 IEEE CCCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2267185071 ZFVPFCZDZGHZFY-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267268369 UBLDRVOSVGAWFT-HKUYNNGSSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267524974 XTDZKCMKUSUVCH-IIAWOOMASA-N 446.357 2.084 30 10 IEEE CC1(C)CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267588705 POZXWTXVNWNZNL-IBGZPJMESA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2268649709 FMTIYJTVPFTQCM-JKSUJKDBSA-N 447.341 2.392 30 10 IEEE CC1([C@H]2CCCCN2S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)OCCO1 2282490651 KGPBPQRZGMUKQG-MRXNPFEDSA-N 443.396 2.354 30 10 IEEE C#CCn1ncc(NCCOC(C)(C)CNC(=O)OC(C)(C)C)c(Br)c1=O 2295853678 XHXULVKZPFRZMX-UHFFFAOYSA-N 443.342 2.371 30 10 IEEE CCOc1c(OC)cc(C=NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 2323404200 HPHMFANBTIESBB-UHFFFAOYSA-N 439.446 2.332 30 10 IEEE CC1(C)CC(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)[nH]2)CC(C)(C)N1 20832433 AKCUEWSJEJIXKP-SRZZPIQSSA-N 431.566 2.474 30 10 IEEE COCC/N=C1\Nc2ccccc2CN[C@@]12CCN(S(=O)(=O)Cc1ccccc1)C2 96309869 UZYUENHRHKCQIA-JOCHJYFZSA-N 428.558 2.221 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCCCN3CCCC3)C2=O)cc1 96567180 RGRYZHKKGFHPHE-DEOSSOPVSA-N 442.560 2.401 30 10 IEEE COCCOc1ncccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 110867277 FMODQSRHWSSAIS-UHFFFAOYSA-N 444.513 2.018 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@H](C)O 205304169 JHHSUFQOSSEGCJ-WVFSVQOHSA-N 438.480 2.420 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(\C)NCCCC(=O)O)C(=O)[C@@]12C 218524394 GRSFRYUXQZOMIM-DTSIOAQHSA-N 429.425 2.023 30 10 IEEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)C2 432600052 JICFXCUJQSCKGB-GAJHUEQPSA-N 440.500 2.313 30 10 IEEE CCO[C@@H]1C[C@](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)(C(=O)OC)C1(C)C 440850545 SYCQBWFYNLYTDB-UTKZUKDTSA-N 436.530 2.241 30 10 IEEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 441645546 IDLFNDXYHDCKMA-OAHLLOKOSA-N 432.546 2.115 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 460386881 MAJLWJRDRNVYAY-JPYJTQIMSA-N 436.516 2.345 30 10 IEEE COc1cc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)ccc1C#N 460591238 MWGYNGZDTCBMFA-GOSISDBHSA-N 433.555 2.283 30 10 IEEE CS(=O)(=O)c1ccc(OCCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461324166 QLHGLSRBQGRCHW-UHFFFAOYSA-N 425.470 2.340 30 10 IEEE CN(CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] 463643842 OXEIYXIURICHTC-GOSISDBHSA-N 425.470 2.443 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nc(C(C)(C)C)no1 466460752 FIDXVWSFDDWYIB-AWEZNQCLSA-N 446.533 2.016 30 10 IEEE C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1n1ccnc1 469383066 DSAUDLJFNNRTPB-UWJYYQICSA-N 441.557 2.265 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)C1=O 475061751 OLVRIWNRSCLTTG-UHFFFAOYSA-N 439.378 2.423 30 10 IEEE CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)o1 477311917 VNPBRFZYKOHWGR-UHFFFAOYSA-N 432.502 2.492 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1=O 487897931 OXOFTDXYHQTVNY-OAHLLOKOSA-N 431.294 2.367 30 10 IEEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1cccc(OC)c1 488917927 MLODXUYSAWLTOX-CQSZACIVSA-N 429.546 2.357 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)ccc1F 503240220 ZUFSWLBDKDYAEY-MRXNPFEDSA-N 438.278 2.322 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508851669 ZNOGXCOCUDCPAS-UHFFFAOYSA-N 445.325 2.347 30 10 IEEE COc1ncc(Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3cccc(C#N)c3)c2=O)c(C)n1 540631526 XJBGJJAUFBPDKP-UHFFFAOYSA-N 448.548 2.161 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)n1 553166181 NRAVHBQOOOAMFE-SZMVWBNQSA-N 426.908 2.393 30 10 IEEE N#Cc1ccc(OC2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCOC3)CC2)cc1 559226785 ZOWXYWRNGRWMKN-NQIIRXRSSA-N 439.516 2.322 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 565672515 YPHBPVCCKBCRHL-SFHVURJKSA-N 444.605 2.277 30 10 IEEE COC(=O)CCCc1nnc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1 575791573 ZUGJOGSOZHBBDZ-UHFFFAOYSA-N 429.502 2.981 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C 576537938 XHNNPNPOXYKQMQ-CZUORRHYSA-N 443.338 2.372 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1Cc1ccccc1 580264413 NRAUAABVWHWAPH-UHFFFAOYSA-N 441.965 2.455 30 10 IEEE Cc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831158 PSJYDYLLCULFGL-UGHLKGEFSA-N 445.519 2.356 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 604000408 XHFWGPKMSRGJBN-UHFFFAOYSA-N 446.507 2.185 30 10 IEEE CCOc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 608889234 AOIBHVPRIRVDAH-UHFFFAOYSA-N 434.496 2.108 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)c3ccc(C#N)cc3F)CC2)c1 609215853 ABDKLXZQMAVGCN-UHFFFAOYSA-N 430.505 2.121 30 10 IEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NCc1ccc(C#N)cc1F 609252358 KFJRDGGRGSMJOE-UHFFFAOYSA-N 425.464 2.415 30 10 IEEE COC(=O)[C@@H](CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)Cc1cccc(F)c1 609267319 DQZUUOKHNRYZJT-QGZVFWFLSA-N 437.475 2.438 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(-c2ccncc2)c1 727107814 MNIFFMZSYMVFBM-GOSISDBHSA-N 438.513 2.359 30 10 IEEE N#Cc1ccc(CNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 729822179 MLQCRONPKFCJLJ-UHFFFAOYSA-N 434.518 2.205 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 732446166 IENDCYWRZOSMKR-JVMRMLDLSA-N 449.914 2.442 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)s1 736585661 WCQFLAOMTHDKJD-UHFFFAOYSA-N 438.578 2.059 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1ccn(-c2ccc(F)cc2)n1 741826448 SDKPJGXCZZSMTQ-UHFFFAOYSA-N 428.445 2.183 30 10 IEEE Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1C 742249932 CKVAEFJEZVFOKE-QQMHEVNUSA-N 428.514 2.060 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC2(CO)Cc3ccccc3C2)c1 751541790 ADKZEUOWGPJVGH-LKUDQCMESA-N 442.541 2.151 30 10 IEEE C#CCN(C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C1CCCC1 757218744 AWZSLLKPTXCCGL-UHFFFAOYSA-N 449.573 2.444 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2OC)c(NS(=O)(=O)C(F)F)c1 766062690 GEANJSKIYZDAHJ-UHFFFAOYSA-N 447.441 2.341 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 767632003 GAJRZUKVGAUEIB-UHFFFAOYSA-N 441.509 2.305 30 10 IEEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 767695741 MTGFHNFSRIHHPT-OAHLLOKOSA-N 428.489 2.078 30 10 IEEE Cn1ccnc1-c1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 772499621 MWZHHNJNDFVRCA-UHFFFAOYSA-N 441.517 2.048 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1 780176387 NBYBYEDELOPXOC-QHCPKHFHSA-N 429.517 2.136 30 10 IEEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)c1ccc(NS(C)(=O)=O)cc1 780177163 SMPGBAPMCDDPDA-RBZFPXEDSA-N 438.502 2.434 30 10 IEEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 785119850 XAJUACQAGVMAJU-NRFANRHFSA-N 448.523 2.376 30 10 IEEE Cc1cc(C)c(N2CC[C@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)c(C)c1 788935581 KVRYSSKXOZNEIP-FQEVSTJZSA-N 449.559 2.163 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)cc1 794852746 KIANDSVGXHUEIZ-RBUKOAKNSA-N 439.516 2.338 30 10 IEEE CC1(C)CC(=O)c2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)ccc2O1 803441768 PKOAXBNPIIRUIO-UHFFFAOYSA-N 427.482 2.498 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 805143151 DGUAMSXJLVTIST-QGZVFWFLSA-N 447.586 2.357 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 853666064 ZYVCEVNDENVKNP-KRWDZBQOSA-N 443.525 2.205 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(OC)c1 856536898 IGDDJUNJVPRJHC-PWRODBHTSA-N 425.529 2.014 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)C1 915100751 YYKNLLAMBVNNQY-JKSUJKDBSA-N 441.513 2.455 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)COc2cccc(Br)c2C#N)C1 1130469348 KOOKPWWQVFBAFC-HNNXBMFYSA-N 434.212 2.227 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 1136364596 PBEFLYVTPMIRTA-HXUWFJFHSA-N 442.560 2.248 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc1 1139227205 JHZXLBARRBRMHH-SFHVURJKSA-N 442.541 2.374 30 10 IEEE CC1CCN(c2ccc(NC(=O)CCC(=O)N3CCN(C(=O)CC#N)CC3)cc2)CC1 1149999449 CASRTHPYJGBLOY-UHFFFAOYSA-N 425.533 2.226 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1 1157589528 ZTZBDLWMGNWBHW-LJQANCHMSA-N 447.377 2.470 30 10 IEEE C=CCN(C(=O)Nc1nc2c(s1)CCC[C@H]2C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1218790949 AATFUTMIEUESBU-QWHCGFSZSA-N 427.548 2.333 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Br)cc3)C2)C1 1248676723 QMHJCOUCBAUVGL-CEXWTWQISA-N 448.361 2.445 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)s1 1252035422 QEIWDLKFPKCPRV-UHFFFAOYSA-N 426.470 2.114 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(CC#N)c2ccc(Cl)cc2)c1 1277360751 FKQPIZUQSXMRJI-UHFFFAOYSA-N 436.921 2.089 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N2CCOCC2)CCSC1 1286287502 FSJOBVIIRBONBQ-WZONZLPQSA-N 436.585 2.483 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286317092 NXJRBTOSBZAWKV-UHFFFAOYSA-N 446.533 2.129 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(NC(=O)COC)CC1 1286356848 BVBAWFIVLUBRHX-UHFFFAOYSA-N 429.496 2.141 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC(C)C)c1ccccc1OC 1286407342 IIHISEGGZOAJEM-FPOVZHCZSA-N 435.528 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCOC[C@H]2C)CC1 1286476554 YWHKGZASBJWNNH-GOSISDBHSA-N 428.968 2.074 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(C)(F)F)c2)CC1 1286478723 FLNIMYPZGCBICP-GOSISDBHSA-N 428.487 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCN2CCC)CC1 1286494333 MAHGVHULZTUIHO-LEWJYISDSA-N 442.608 2.360 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](C(N)=O)C1 1286510469 UAIOSVZVAWREQM-SFHVURJKSA-N 427.574 2.488 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1286699864 IEOABUUWCCRUBR-IBGZPJMESA-N 427.505 2.052 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286788812 GVDBXKAFXDZBDP-QHCPKHFHSA-N 443.523 2.085 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1286798410 KMTWRIWHDYETDD-XXBNENTESA-N 439.516 2.272 30 10 IEEE CC(C)NC1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1288262671 NVXISIHNHOSLRV-LSDHQDQOSA-N 441.580 2.429 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H](C)N(C)C)n1 1289982900 GXCWKPIOGJTAAK-SFHVURJKSA-N 431.548 2.192 30 10 IEEE C#CCN(CC(=O)N(CC)CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)OC(C)(C)C 1290592222 KNVMXLPPKMWCTF-UHFFFAOYSA-N 431.489 2.115 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1295161405 DFWKSRKSGVEQHM-GHTZIAJQSA-N 431.562 2.237 30 10 IEEE CC[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297818385 QFZMILYBGVHKCD-ZYSBOAIWSA-N 448.543 2.092 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(I)ccc1Br)C(=O)OC 1299178124 CZGUEWPYMYTTNY-LLVKDONJSA-N 436.043 2.348 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1300282720 PLIOJYGTAPIDJB-VGSWGCGISA-N 442.495 2.222 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300496687 TZKWOUUDZWVAPC-IRXDYDNUSA-N 434.949 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(N)=O)c1 1300587768 YLOSKWQNCXFQKW-UHFFFAOYSA-N 437.507 2.127 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1300618956 PJCZAUNXYOAJHU-UHFFFAOYSA-N 447.543 2.051 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1300718539 RUFPNQQTDPVZEH-UGKGYDQZSA-N 446.555 2.334 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300833248 WVKILTGXOOZKIX-JKSUJKDBSA-N 427.306 2.440 30 10 IEEE C=C(C)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300969951 FJHURGLRHMPUSN-XLIONFOSSA-N 426.583 2.298 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)CCOC)CC1 1301071918 ASVGSOMWURQDRA-NRFANRHFSA-N 434.562 2.293 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301252460 NQPKJUIMAQJCGA-KRWDZBQOSA-N 448.568 2.315 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301482785 ZVTLEZYNXAJTME-CTNGQTDRSA-N 438.576 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1301490340 RIWSZDDLCUUYIE-INIZCTEOSA-N 441.492 2.233 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301602233 NEXMCTRBINPDMS-UHFFFAOYSA-N 433.541 2.392 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301637040 JDSNDODVUOSUGD-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC[C@@H](C(F)F)N1CCOCC1 1303636090 HZBDRSBIZIDOHH-WMZOPIPTSA-N 433.507 2.358 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 1303900811 QTJHEPFIEINFDG-MRXNPFEDSA-N 445.570 2.125 30 10 IEEE C#C[C@@H](NC(=O)N1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1)C1CCOCC1 1313042437 GJADLTASDAPPKU-WOJBJXKFSA-N 433.936 2.310 30 10 IEEE C=CC[C@@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1313087592 GHTHKYOROSHREZ-INIZCTEOSA-N 430.509 2.028 30 10 IEEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1315878165 CXDDYCMYRWMJDD-SFHVURJKSA-N 448.531 2.223 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1352459507 PXURZHMKNITYEO-IRXDYDNUSA-N 443.363 2.263 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnnn1CC1CC1 1358971887 MBZSCUZILGFVMS-UHFFFAOYSA-N 438.442 2.064 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1359010305 LRCFFKBTUUGZRJ-VGSWGCGISA-N 433.553 2.207 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC(C)C 1359017257 YRZXFBXWEFDTFM-SFHVURJKSA-N 434.537 2.384 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[C@H](O)C2)n1 1359027741 UTBFUWRVABGOKR-ICSRJNTNSA-N 437.548 2.307 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC2CC2)CC1 1359028097 HGAROGQZZRXFRF-UHFFFAOYSA-N 436.560 2.009 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC)c2)CC1 1359040342 QHENZIYPUCLOHD-UNMCSNQZSA-N 439.560 2.204 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1359082209 BZMDZGCVSVOGFA-DZGCQCFKSA-N 426.359 2.432 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cnn(C)n2)CC1 1359175039 XMAZRJVGRHIKDF-QFIPXVFZSA-N 429.569 2.482 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1359183590 OVCIZFWFWJSRLG-OAHLLOKOSA-N 443.614 2.326 30 10 IEEE CC(C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359603880 HDLVWZPEAZBSEQ-INIZCTEOSA-N 428.512 2.280 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1 1360622115 FBSYDTALNXXYNC-AWEZNQCLSA-N 446.558 2.103 30 10 IEEE Cc1cccc(CNC(=O)c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)c1 1443540478 YAOSBDMUJHUAEO-FLFQWRMESA-N 432.480 2.181 30 10 IEEE C=CCC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1449699794 SODBKACACGPGEE-NHYWBVRUSA-N 437.290 2.448 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c1 1450829291 ATCHNOAGJXKBBH-UHFFFAOYSA-N 441.387 2.118 30 10 IEEE CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3nc(C#N)c(Cl)s3)cc2)CC1 1458181162 FQLNIYKVGZZHCC-UHFFFAOYSA-N 426.907 2.178 30 10 IEEE Cc1c(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cnn1CCC#N 1458769596 RWLBSMVSVIIWEK-GOSISDBHSA-N 427.530 2.102 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1460276887 FUINUJNBPMWRLP-KRWDZBQOSA-N 442.541 2.211 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)CC1 1466322999 YUEGRDYCHZZVCC-UHFFFAOYSA-N 425.533 2.249 30 10 IEEE C#CCCN(CCOC)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1469021525 RGQGLFXRXZTVRG-UHFFFAOYSA-N 427.592 2.147 30 10 IEEE C#C[C@@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCOCC1 1470312064 NVOIHJZBRZZKKR-LJQANCHMSA-N 428.533 2.297 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1470489710 QMLRIBFVKVEVMG-LJQANCHMSA-N 432.546 2.495 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)s1 1471202588 HQUMXYNKURNZQZ-HDJSIYSDSA-N 443.591 2.174 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn2ccccc12 1502208749 CCVBPVRYYFSRGM-UHFFFAOYSA-N 449.540 2.384 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CSCCS1 1503110255 ZEFLBVRRWJEIKJ-KRWDZBQOSA-N 445.618 2.256 30 10 IEEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1503213614 ZGDFYKBNUHXXFW-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)OC 1504580816 HVZVZANQKZHCLP-YLJYHZDGSA-N 440.548 2.171 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F 1507514111 PFTUCVARZMBENT-CQSZACIVSA-N 436.438 2.284 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507572352 HAGVWFXIEVZLBB-FQEVSTJZSA-N 441.580 2.329 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507578367 ZIGNIFYSWQXIHL-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1507592324 SBNBSOGMFUMWFT-IBGZPJMESA-N 426.565 2.262 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507746471 BMAQSQAYEMGZID-QGZVFWFLSA-N 443.573 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(=O)(=O)CC 1507765694 UOSAAFARFVTYAR-IIBYNOLFSA-N 449.552 2.489 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507965052 JWOXHSZIBGIZFL-SFHVURJKSA-N 425.493 2.126 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1513198512 IVSVQCNDJQUTGU-KRWDZBQOSA-N 439.564 2.485 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)s1 1513776024 BVIXRNQLLLHODK-AWEZNQCLSA-N 425.518 2.416 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)C1 1517513090 HKCFVEVRPKODKP-GOSISDBHSA-N 426.521 2.116 30 10 IEEE CN1Cc2ccccc2[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1532370562 VFTIVRJYFKPTOX-QFIPXVFZSA-N 438.553 2.262 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C(C)(C)c2ccc(C#N)cc2)C1 1537528932 ISTAKXVSHHESMI-SFHVURJKSA-N 449.573 2.376 30 10 IEEE COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1538727703 ZQGOXDWKCDCUEC-XAVMHZPKSA-N 425.272 2.336 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(N(C)C)CCOCC1 1539154207 CUKPZOMUSSQSAP-UHFFFAOYSA-N 435.370 2.226 30 10 IEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539201995 DNXAIURGAQDORK-GOSISDBHSA-N 435.594 2.013 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539212542 QGLOWSXPLOVAJG-IBGZPJMESA-N 430.574 2.295 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCc2ccccc2C1 1539290626 ILCBXJNQSOGMMC-FQEVSTJZSA-N 432.572 2.326 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=C)Br 1540194542 RYZRXJKRKYKOLL-UHFFFAOYSA-N 445.325 2.468 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 1540881559 MGEHELJMTNKOAR-IBGZPJMESA-N 430.597 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2ccccc2C)CC1 1540907273 QMFZLSBUSXLHKW-UHFFFAOYSA-N 443.617 2.462 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541803199 DRHKFGKCPZABRU-AEFFLSMTSA-N 446.577 2.209 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncnc4sccc34)CC2)c1 1543368526 GIYIXYBVYWIKEB-UHFFFAOYSA-N 445.501 2.090 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(C)cc1 1545928427 AEIPZICJCNDERS-IBGZPJMESA-N 426.521 2.313 30 10 IEEE CCCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1547069770 UAFBSJQDKVKVNL-QFIPXVFZSA-N 441.511 2.465 30 10 IEEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1555410731 GIMIHSOAUXKRAO-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccc2c(c1)OCO2 1555636556 KLJJKZHHADBJBZ-QVKFZJNVSA-N 447.467 2.252 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)cc2)c1N 1556946637 SORIZKDHXIIJDW-UHFFFAOYSA-N 438.438 2.371 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(CS(C)(=O)=O)CCC3)C2)C1 1557040005 NJPRHUJRNWJOBJ-ZGOJQLDESA-N 439.578 2.104 30 10 IEEE Cc1cc2c(NC(=O)c3sccc3S(=O)(=O)N3CCOCC3)n[nH]c2cc1C#N 1557351812 IBFOYQDXACGCAW-UHFFFAOYSA-N 431.499 2.078 30 10 IEEE C#CC1(O)CN(C(=O)c2ccc(NC(=O)c3ccccc3I)cc2)C1 1558690993 AHRUTGQZBCPCSE-UHFFFAOYSA-N 446.244 2.364 30 10 IEEE C[C@@]1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)CCO1 1560182823 QGWAUEAOKVRGCE-NXZBIGBUSA-N 448.932 2.107 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)nc1C 1585261513 NGLSCMSIFFELHC-BDAKNGLRSA-N 446.480 2.438 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COC(C)(C)C)c1 1587909236 HHPFUMKLDKFGFJ-INIZCTEOSA-N 433.578 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC(O)CC1 1588238283 POYSKYSCYMLJOY-UHFFFAOYSA-N 441.526 2.457 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1589088809 JPGYVPKYVRIYLO-NPPFBWRTSA-N 427.574 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1589150733 JVLGSHNRCNHUIW-HRAATJIYSA-N 449.552 2.441 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCOC2)C1 1595682292 ZSXQZEQLDAPIEQ-UWJYYQICSA-N 436.459 2.479 30 10 IEEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1617192978 ZVZQKJUFCAETAS-GOSISDBHSA-N 429.546 2.257 30 10 IEEE CN(C)C(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1617606853 BEJMQEOEIQIZQA-QGZVFWFLSA-N 439.264 2.377 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1618528955 MEDXEIPPOUSKMN-YADHBBJMSA-N 432.569 2.221 30 10 IEEE C=C(C)C[C@@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1624255933 CHUWAESHRRHJRI-OAHLLOKOSA-N 437.290 2.449 30 10 IEEE C#CCn1cc(CNC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)cn1 1626744404 FFVUWUDJVYDABU-LJQANCHMSA-N 437.500 2.224 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)C1 1627632677 HJNOGVSRGOOUOT-SGJMOYSZSA-N 444.454 2.053 30 10 IEEE C#CCN(C(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C)C1CCN(C)CC1 1628943645 PDUHZMHMRWNXHQ-OAQYLSRUSA-N 425.533 2.266 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(C3(O)CCOCC3)CC2)C1 1635222894 DUSRXNDGPVOHDA-UHFFFAOYSA-N 434.334 2.195 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1635599516 SQUVLADZWQBLPO-NRFANRHFSA-N 426.900 2.356 30 10 IEEE C#CCC1(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CCCCC1 1635708566 SEMOLYLHPPHLFJ-UHFFFAOYSA-N 433.574 2.289 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1636388470 LGXJXCYYHNDKRQ-OAHLLOKOSA-N 443.257 2.089 30 10 IEEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1636546316 OKOPTSLXYHLOGT-ACJLOTCBSA-N 447.488 2.076 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)C1 1638397444 IEETZRWVOQVUNX-RHSMWYFYSA-N 426.330 2.136 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)c1 1641714003 MGEIGRFWDQDBOQ-LJQANCHMSA-N 429.542 2.164 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCc2nc(-c3ccccn3)cs2)cc1 1643875608 HFXCSBLXNLAPFV-UHFFFAOYSA-N 441.538 2.104 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C2CCC2)CC1 1648166433 RLIYUPPPBLXSTI-SFHVURJKSA-N 433.574 2.438 30 10 IEEE CCOCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCc2ccccc21 1648771112 QODRUFKALGKLOF-LJQANCHMSA-N 427.526 2.278 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C)O[C@@H](C)C3)nnc12 1654726496 FFVJQCIRDHGUDZ-CABCVRRESA-N 427.530 2.348 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2cccc(F)c2Br)n1 1663734284 PTUOQLLWFUDPCN-UHFFFAOYSA-N 444.326 2.396 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 1686181203 CCXHPZZHFGUBPV-IMQCZEGASA-N 433.512 2.482 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1689947927 OQYHISCHHPQLAC-DLBZAZTESA-N 429.496 2.122 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690128837 KPBXEVTXWKRGMU-UHFFFAOYSA-N 440.617 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(Cl)nc2)CC1 1690146288 KEDICYOWXCQHEQ-SFHVURJKSA-N 442.951 2.235 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1690155459 KFHFGAPMPPQMIY-NXOAAHMSSA-N 425.624 2.270 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1690190415 UBGFSUXCUSGQFD-WAOWUJCRSA-N 436.626 2.145 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC(O)CC2)CC1 1690417285 LWYAYAXIOCQMPW-FPOVZHCZSA-N 433.597 2.251 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690629346 SEZMCVWZPGMPNP-GPMSIDNRSA-N 430.505 2.363 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)CN(C)C2=O)C1 1690687730 IGVITGOEUOKYBG-IFXJQAMLSA-N 449.353 2.295 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691562217 YZXWYUDUQYCYKA-AUSIDOKSSA-N 439.564 2.172 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@H]1C 1693708295 ARHPSXXMNBRHKP-DLBZAZTESA-N 428.562 2.335 30 10 IEEE C[C@H](Cn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1698452500 UXFQCZTZTQKQCI-QAPCUYQASA-N 429.569 2.320 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCNS(C)(=O)=O 1705477355 MZLMBNNUQXXVRB-SJLPKXTDSA-N 433.578 2.432 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CC2)CC1 1705632896 DWWGTURHALKDCT-GOSISDBHSA-N 425.533 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(OC)c(F)c2)CC1 1705652697 JLZHWKWXOAFGCO-UHFFFAOYSA-N 443.523 2.171 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705907685 UEGTUKWPLPFDQA-GOSISDBHSA-N 430.597 2.003 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](SC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909300 SOJWIDAWNAMLID-UTKZUKDTSA-N 437.610 2.343 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2)C1 1705922255 JIYGXMNGHPKTBZ-DLBZAZTESA-N 427.505 2.076 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCn2cc(C)nc21 1708758014 VADWGQPDNKXRKE-AEFFLSMTSA-N 440.552 2.008 30 10 IEEE CC[C@H](Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1)OC 1708773278 HBXRKBRALHNHIJ-QRWLVFNGSA-N 449.556 2.414 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@H]1CCCO1 1709142298 WZQDVLBJXPWPDW-LJQANCHMSA-N 425.537 2.019 30 10 IEEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1CCC(=O)N1CCOCC1 1711947379 CPPCJUDVNVEWSR-UHFFFAOYSA-N 438.532 2.333 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cnnn1C 1712451695 AXDLUZFFPBPSBA-UHFFFAOYSA-N 431.504 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1722302263 HERPPTPTGMVSAR-ZDUSSCGKSA-N 427.983 2.231 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722316229 DUTYMYNOQVMACI-RBUKOAKNSA-N 433.622 2.294 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 1722332284 HRPRFSWWGYPXEI-UXHICEINSA-N 443.573 2.366 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722366370 IEJZBOHQVSIXEL-VQTJNVASSA-N 426.542 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCS(=O)(=O)Cc1ccccc1 1722393380 AWQLDYGJVMWHGM-UHFFFAOYSA-N 448.552 2.203 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncnn1C(C)(C)C 1722411792 PWXIAXKTNWQTFI-UHFFFAOYSA-N 448.579 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@]1(N2CCOCC2)CCSC1 1722420610 KFCPRWMBNKFICG-QFIPXVFZSA-N 445.589 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)[C@@H](C)CC)CC1 1722449199 OAWOYBFBPIPRPX-RXVVDRJESA-N 438.576 2.291 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCn1cccn1 1722486053 ZKCQHWZGNWYWOL-UHFFFAOYSA-N 434.298 2.247 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722511283 ZMMLTJDPUUSOIY-MANSERQUSA-N 433.553 2.430 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1722517424 ROFOTPSONWWDNA-CBGDNZLLSA-N 440.610 2.149 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1722570014 SBPLMRVLCMIBQQ-INIZCTEOSA-N 428.468 2.141 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722619775 CXPWVQIXGMHJAY-GOSISDBHSA-N 427.553 2.354 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@H]1C 1722678737 WVQQUXVWRJKGEU-VGOFRKELSA-N 438.536 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1722696847 FRRBKQCEJSSVLZ-OKILXGFUSA-N 439.545 2.226 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](COC)OC)C1 1722714864 KRNVVDIPWDGWKT-QZTJIDSGSA-N 430.505 2.159 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1723388086 ROUZYWHXDJPGHS-JOCHJYFZSA-N 441.536 2.497 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)cc1C 1724410489 AGTRMGCRBDJTDC-QGZVFWFLSA-N 436.520 2.365 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 1729315406 APSWSODHPIQTLM-HXUWFJFHSA-N 442.589 2.170 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1730922294 FHHUGVHSCVTUEH-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740599933 GHBILZIUHYDRJJ-QHCPKHFHSA-N 435.532 2.245 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCN(CC)CC1 1740635442 OIULWJBVGJQUFT-GOSISDBHSA-N 425.968 2.092 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1 1740751021 XCTMONMXXUFPNI-RTWAWAEBSA-N 439.560 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1740762016 QRJKEGIVPBCNIO-TWMKSMIVSA-N 426.608 2.103 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1740837333 ZVALAJLWBSRWPF-GOSISDBHSA-N 431.459 2.011 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1740930090 GMBDXJUEGAIVDB-MRXNPFEDSA-N 426.912 2.346 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1740952870 PUBVOHFSCISXKV-HOTGVXAUSA-N 445.495 2.249 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCn3c(nc4c3CCCC4)C2)nnc1C(C)(C)C 1740995560 PPVPIAUVWSXOQE-UHFFFAOYSA-N 432.594 2.272 30 10 IEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1740996679 HBVJJGPOLWPRAT-UHFFFAOYSA-N 446.577 2.343 30 10 IEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)cn1 1741067125 AGBQJVHIGQAYIV-LJQANCHMSA-N 447.499 2.356 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCN(c2ccncc2)CC1 1741136395 OWCJTBBSQOFLQI-TZIWHRDSSA-N 438.580 2.333 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1745877192 GFSCHTNQKBVJTP-UHFFFAOYSA-N 434.342 2.264 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C1CC1 1748648156 ZHEVOJPBXSPEGK-INIZCTEOSA-N 443.621 2.489 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)COC 1748892506 PPNAJODXJSIUME-RBUKOAKNSA-N 445.564 2.332 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOc2ccc(OC)cc2)CC1 1748993515 AHWNMYGJPHTYQV-UHFFFAOYSA-N 446.555 2.497 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(F)F)C1 1750419124 MMUJQHFNQPOCAS-YOUCSZFUSA-N 436.463 2.138 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(C#N)CC1 1751313317 BQALVYHONNHHOQ-UHFFFAOYSA-N 441.536 2.268 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c1C 1751326286 RJDMPMRAHWZTIS-OALUTQOASA-N 429.521 2.163 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760123040 XMBBLMCFPMABDM-OALUTQOASA-N 425.533 2.118 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1760131571 VOHQVQWSGHTCSU-PGRDOPGGSA-N 445.589 2.444 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760157751 AOOUXSGUZWIGAQ-UHFFFAOYSA-N 433.516 2.166 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)C(=O)OC(C)(C)C 1760172390 ZUFYXKZUCJMJRC-UHFFFAOYSA-N 430.509 2.332 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1760175126 WQBNFIWTGOESLY-UHFFFAOYSA-N 441.551 2.347 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1760186501 OBTNSVRGRYSNLN-NSHDSACASA-N 430.427 2.072 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1760186809 GKPCFOOZUIKIBN-HOTGVXAUSA-N 428.505 2.192 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(F)c1 1760218258 BHPOMASEQZSQQL-ROUUACIJSA-N 444.532 2.250 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1CCOCC1 1760282984 YEAGADWVNCUANG-UHFFFAOYSA-N 435.544 2.282 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1760378231 CNBGNNOYIPCGTQ-UHFFFAOYSA-N 435.937 2.495 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1)C1CC1 1760470326 NJULCBNLZXGXIH-MRXNPFEDSA-N 441.561 2.277 30 10 IEEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1760768870 AAJXOKJNTLGODG-UHFFFAOYSA-N 449.481 2.416 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1761359932 CMAUSYQUBFTKDK-WIYYLYMNSA-N 446.559 2.478 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)(F)F 1762261061 HCPTVNGDEHKIQU-UHFFFAOYSA-N 443.474 2.005 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC(F)F 1763040275 RVZUVSNHNJYFSI-CQSZACIVSA-N 434.447 2.025 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@H]1C 1765373764 RQXNCHFIWWPXPM-MOPGFXCFSA-N 425.581 2.314 30 10 IEEE CN(C)C(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766864021 CBUGZEMXJSHGMN-VQTJNVASSA-N 438.532 2.448 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCn1ccnc1C 1767934476 FKLXMXIKVIVSJG-UHFFFAOYSA-N 435.536 2.003 30 10 IEEE COCC1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770929508 RYKRSTZUCSWNDR-FMQUCBEESA-N 430.553 2.256 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771055861 CVPAIYQEGQFHTM-UHFFFAOYSA-N 445.483 2.300 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1772842439 GQGAIPQYHVUHRL-CJNGLKHVSA-N 434.504 2.104 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)OCCO[C@@H]2CCS(=O)(=O)C2)CC1 1850521858 JBGPVCPBXIZDFX-GOSISDBHSA-N 443.525 2.070 30 10 IEEE COCc1c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)nnn1-c1ccc(OC)cc1 1850562017 KNBGCPCCJLMYAK-UHFFFAOYSA-N 432.484 2.256 30 10 IEEE C[C@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CCS1(=O)=O 1850601402 RSWNKGAJWYAIMC-INIZCTEOSA-N 426.542 2.358 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)c(I)c1 1852098354 FZWAZBHRAFLAHZ-LBPRGKRZSA-N 439.253 2.129 30 10 IEEE CC1(C)C(=O)N(C(=O)[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1854463260 GLFAUPROPTZADU-CYBMUJFWSA-N 425.457 2.132 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)[C@H]1C 1854752271 ZYXFNBAGSYBZNF-MOPGFXCFSA-N 433.574 2.031 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)c3cc(Cl)ccn3)C2=O)C1 1854880503 BGYYLTSTVPAAMR-SFHVURJKSA-N 425.876 2.286 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1(C)C 1856109603 KLDKKDVSBWXKIZ-MRXNPFEDSA-N 439.603 2.174 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)cc1 1858411511 IGZMMZNRLOMPEH-KRWDZBQOSA-N 438.509 2.334 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862695641 HHOGLUWLJLJXNA-XCLFUZPHSA-N 425.437 2.426 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)Cc1csc(COc2ccccc2)n1 1866594609 KEQQEIMWROCFQA-IBGZPJMESA-N 436.493 2.252 30 10 IEEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2n[nH]cc2c1 1869928236 FDJLIZYIECZDTD-MRXNPFEDSA-N 429.527 2.362 30 10 IEEE C=CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870387550 IYOCPZUJYINLQD-UHFFFAOYSA-N 434.544 2.417 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1cccc(N(C)C)c1 1870983085 LADUKCZHCKHBGM-OAQYLSRUSA-N 440.544 2.386 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1 1890195689 KEUXVYPURCRELH-UHFFFAOYSA-N 433.980 2.367 30 10 IEEE CC(C)(C)OC(=O)NCC(C)(C)[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1990493287 ADUVKUKXQJFATR-CVEARBPZSA-N 425.574 2.309 30 10 IEEE C=CC(C)(C)[C@@]12C=C(OC)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@@]31N(OC)c1ccccc12 2053487727 SOHAVULMGIITDH-BJKOFHAPSA-N 447.495 2.438 30 10 IEEE C=C(Br)CS(=O)(=O)Nc1n[nH]c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2065564654 QFLFBGAQXXMBRI-SNVBAGLBSA-N 436.332 2.179 30 10 IEEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(Br)c1=O 2106011836 CPGPIJUAFIFDIK-NWDGAFQWSA-N 429.290 2.398 30 10 IEEE COC(=O)[C@@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2124539386 VCLBIGIXVOIXKI-MRXNPFEDSA-N 448.325 2.381 30 10 IEEE C=CCN(CC=C)C(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195285692 IUNTUYQCXOLZSZ-VPTFNQTCSA-N 436.530 2.094 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212229912 FHGATFHGUPFILJ-PZPWOCDFSA-N 427.542 2.190 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2243416273 DRJCYWWWBHIFTE-UHFFFAOYSA-N 432.376 2.408 30 10 IEEE C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248400751 ATQNQGYSHQVILU-SWLSCSKDSA-N 440.371 2.110 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)C1 2255159642 NDOIIQSPZLMJDT-VZTIZEPLSA-N 449.548 2.090 30 10 IEEE CN(CCCN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2255819580 CIOSQBNUKBBWFP-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830537 HPHADESWCMDIDA-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143594 KGOYSEWBLISHCQ-QFBILLFUSA-N 438.381 2.278 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267188386 LKGVRSLMXZSOPR-HXUWFJFHSA-N 438.381 2.360 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267227060 QNVCZNPPSABMJT-DLBZAZTESA-N 446.353 2.316 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2267265878 LMULIHRAMJGEBT-YXJHDRRASA-N 445.369 2.310 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2267501804 DCOGHXWQBSNFJH-UHFFFAOYSA-N 448.325 2.275 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267549089 JVDAHOSFUNNAJY-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879437 HLCXNAUCCUZHFQ-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)C(=O)O)ccc3C2=O)c(OC)c1 2297731164 DPQRMPYBGMXGEK-LBPRGKRZSA-N 427.409 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H](O)C1 2322292375 BISYSEDLAPELIN-HOTGVXAUSA-N 437.321 2.302 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 2337291852 KRDYIRQPYCAZPD-QFIPXVFZSA-N 448.373 2.143 30 10 IEEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339256242 WSJUHRHYCHQSHJ-IEBWSBKVSA-N 443.353 2.444 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1=O 101350962 QTKGAWGNCWGQHV-UHFFFAOYSA-N 441.513 2.352 30 10 IEEE Cc1ccc([C@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 103122837 UOKOTSHUAYUGHY-HQMFNGAOSA-N 426.425 2.334 30 10 IEEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 111046453 FOGNCPJXIKMSRD-LJQANCHMSA-N 442.516 2.166 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccccn1 170179921 IKMHXAVWKBCBRN-NRFANRHFSA-N 436.512 2.440 30 10 IEEE C[C@@H](CNC(=O)c1cc(I)ccc1Br)/C(N)=N/O 235166171 BLVOHCHRFOPBBT-LURJTMIESA-N 426.052 2.166 30 10 IEEE CCOC(=O)CC1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC1 447861363 PCWKRVRNOSEZBD-QGZVFWFLSA-N 426.473 2.145 30 10 IEEE CO[C@@H](C)c1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 486650711 LNTLEPSHKNSMOE-AWEZNQCLSA-N 434.543 2.177 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1C#N 489661314 YLNOPRRVKUOJAI-KRWDZBQOSA-N 427.490 2.351 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(OC)c1 490446146 JUPATPSJXUMXCW-UHFFFAOYSA-N 433.530 2.337 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(CC(=O)N4CCc5ccccc54)CC3)CC2)c1 506338219 BSTKLWIUCJBMCX-UHFFFAOYSA-N 432.499 2.462 30 10 IEEE CCOC(=O)c1c(Cn2cc(I)c(C)c(C#N)c2=O)noc1C 517628610 IHTUTZMRXKUENL-UHFFFAOYSA-N 427.198 2.154 30 10 IEEE CCn1c(CN(C[C@H](C)C#N)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 533138417 FBBAILIBBXXQNY-MRXNPFEDSA-N 431.562 2.201 30 10 IEEE COc1cc2c(cc1CN1CCN(S(=O)(=O)c3ccccc3C#N)CC1)O[C@H](C)C2 534336128 HNBRWAAKMBCXSN-MRXNPFEDSA-N 427.526 2.397 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCC1 537457225 IDRYBDLBWAAYGY-UHFFFAOYSA-N 446.515 2.230 30 10 IEEE Cc1cc(=NC(=O)[C@@H](C)SCC(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)[nH]o1 542978537 CHXICDCUUBJJJK-GFCCVEGCSA-N 444.904 2.237 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCc2nnc3n2CCCC3)CC1 543421250 XEOCCVJHBWOUQY-UHFFFAOYSA-N 435.488 2.309 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nc1 578045564 VDMBVMHXNVBMEZ-OAHLLOKOSA-N 426.420 2.294 30 10 IEEE Cc1ccccc1C(=O)NCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 603609674 XIJGHTUONCLNNF-UHFFFAOYSA-N 434.475 2.253 30 10 IEEE COc1cc(OC)c2cc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)[nH]c2c1OC 734291687 ZWGLDAPQGNLDCX-UHFFFAOYSA-N 429.454 2.493 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 746189856 BIHPWCRNHOENJU-VRTBNJGNSA-N 434.290 2.266 30 10 IEEE CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 755283237 VIDWOSFIOLCBJN-FXAWDEMLSA-N 427.549 2.424 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](COC)C(=O)O 757268402 VKBNUUQZDZLPOQ-NHCUHLMSSA-N 436.464 2.133 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757449836 KXBKMDHBJSCPDP-FDFHNCONSA-N 448.475 2.275 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c12 778494344 XPIOXPKGEPSSCU-CQSZACIVSA-N 426.498 2.074 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccsc2)N(CCCn2ccnn2)C1=O)NCC(F)(F)F 783057720 VQJDLIIICVAPEF-GFCCVEGCSA-N 446.480 2.430 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)n1 788819378 IVMFIMCBWVLJEH-UHFFFAOYSA-N 426.561 2.214 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2ccc(F)cn2)C1=O 790749959 LCKNXRKVHFFSPG-MRXNPFEDSA-N 435.550 2.482 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1ccc(I)cc1Cl 793043616 KKOWVELFFKNENI-UHFFFAOYSA-N 442.706 2.345 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@H]2CC[C@@H]2C)cn1 795182089 GXYDLONOULSUGE-BHYGNILZSA-N 433.578 2.278 30 10 IEEE CC[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 797816225 LTSVGBOEUVFMHA-DDUZABMNSA-N 432.546 2.213 30 10 IEEE CCN1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1=O 801671494 QQKLQVMIJYORHG-JKRPTORDSA-N 435.550 2.022 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 804455460 VTSPKLHFBYZKRQ-UGKGYDQZSA-N 430.508 2.287 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(Cl)cc1 810472967 AFGSPFKDMGOZNB-QGZVFWFLSA-N 445.306 2.359 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 877012477 UGCXYQISZVSSIM-DMAKZNTKSA-N 439.509 2.210 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)nnc1-c1ccco1 1129105403 QQKSTPBUZOPMDA-OAHLLOKOSA-N 436.559 2.242 30 10 IEEE C#CC[C@]1(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCCN1C(=O)OC(C)(C)C 1130218767 IHQADROESXMENI-KSFYIVLOSA-N 448.541 2.131 30 10 IEEE C=CCCSCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1130881570 KXXSDVPKEHXVDQ-UHFFFAOYSA-N 440.587 2.299 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C#N)C3CCCC3)CC2)cc1 1133069846 HZKPYGPPOZZSGR-HXUWFJFHSA-N 447.557 2.463 30 10 IEEE CSC[C@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1134507154 MZUPEKAAAWREHZ-IYWMVGAKSA-N 441.553 2.365 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2CN2CCNC2=O)ccc1F 1137878979 NMKLFAPWQKLXMW-UHFFFAOYSA-N 432.477 2.068 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4c(sc(N)c4C#N)C3)CC2)cc1 1158216533 XTESWBNTVLPIHZ-UHFFFAOYSA-N 444.582 2.496 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1178718289 NRHJYSPJUOAJEO-NRFANRHFSA-N 430.574 2.334 30 10 IEEE C=CCn1cc2ccc(NC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2n1 1178765836 QEMHBFCBDHQCFT-UHFFFAOYSA-N 429.458 2.438 30 10 IEEE CN1CCC(N2CC[C@@H](N(C)C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)CC1 1252506704 FCIZFQOLVBSZFQ-XMMPIXPASA-N 438.620 2.333 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1286344671 SHJHFDTUAQYSOK-UHFFFAOYSA-N 437.953 2.102 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286354285 KLYSQDCKMOWOGL-SFHVURJKSA-N 426.546 2.110 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286359294 YXGLTPWFQPUQNQ-QHAWAJNXSA-N 442.608 2.170 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CCc2ccccc2)C1 1286416206 XNMKXUJSGANYCA-HSZRJFAPSA-N 446.599 2.444 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)OC)C1 1286536067 NAZOUABKJMSYRW-KGLIPLIRSA-N 431.331 2.300 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn(CCCC)nc2C)CC1 1286637936 PRXPLBHFRDEDJG-QGZVFWFLSA-N 435.598 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CCOC1 1286780622 XVUDPDKLZLNEJW-AWEZNQCLSA-N 434.338 2.483 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@H]1CC 1286781418 YQSIMWXUPBWGHJ-QZTJIDSGSA-N 440.548 2.052 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1CCNS(=O)(=O)Cc1ccon1 1287022915 BAVSSNRETFZRJW-UHFFFAOYSA-N 449.581 2.104 30 10 IEEE COC(=O)[C@H](C)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1292643871 TYKCLFBRNUFFPT-OAHLLOKOSA-N 435.546 2.086 30 10 IEEE CCSCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1297920072 BWMNGOAPPJOLRC-UHFFFAOYSA-N 435.561 2.472 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1298087864 DAGURVOVHRBMLV-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1300383820 IBPLDRLZYASTGX-IBGZPJMESA-N 425.533 2.378 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2ccnc2)c1 1300591623 TZNXZBLHIHMXKZ-UHFFFAOYSA-N 441.539 2.157 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC(=O)N1 1300647770 ABVVEQDNVSGPRH-HXUWFJFHSA-N 435.507 2.197 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1300756229 IZRLBOSTQPNVBW-MRXNPFEDSA-N 438.557 2.266 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1300897363 PZXGKNATJRYVQE-BJLQDIEVSA-N 444.624 2.346 30 10 IEEE CCN(C(=O)c1ccc(C#N)n1C)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1300912227 XFOSRFYSNWTSOX-INIZCTEOSA-N 431.537 2.217 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1301194330 IOTMATOVKLSPPE-KRWDZBQOSA-N 442.568 2.331 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301225500 GCEMOKFUFKCVNA-FQEVSTJZSA-N 437.592 2.363 30 10 IEEE COC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301275565 HTDLJJLCQSRNPM-DVSFIDLUSA-N 430.553 2.256 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1301410881 NMSNNLYXJQEVRM-LJQANCHMSA-N 442.564 2.168 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)C1 1301558221 UGAWRSLEEXEYAA-HRCADAONSA-N 430.521 2.397 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1302979241 OZGJTVVKGUOMAI-JOCHJYFZSA-N 435.463 2.308 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CCO1 1303003033 BFGNSAIDKOXGBR-KRWDZBQOSA-N 430.896 2.093 30 10 IEEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1 1303302075 ATTUDXMIPBSITP-LJQANCHMSA-N 444.605 2.418 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3[nH]cnc3Br)CC2)c(F)c1 1309477073 CPRJMQWEMCRRCP-UHFFFAOYSA-N 429.271 2.415 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cn1 1309664385 LMUFYVQLEFDOEW-UHFFFAOYSA-N 445.522 2.071 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 1312791086 SKJDGCBPMZLLGO-UHFFFAOYSA-N 447.948 2.302 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1315239391 ZVCUSHHIEFCDGJ-CRGRJFMMSA-N 430.553 2.497 30 10 IEEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N)OC 1315795344 JWQBXVSVDUFHCK-OCCSQVGLSA-N 425.331 2.446 30 10 IEEE COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1315824507 ZMVXHCGCILIUOQ-JOCHJYFZSA-N 449.534 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-c1cnn(C)c1 1358984354 RJQIGOVHCDOXMC-UHFFFAOYSA-N 441.539 2.426 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@]1(OC(C)C)CCOC1 1359106268 ZMZICRVLKXMUDR-RFWXGWTQSA-N 449.596 2.261 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1C 1359234014 ZRDMGLZIWMSVBZ-AEFFLSMTSA-N 433.578 2.490 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1359310428 VWPIOQVAPUJZMS-KRWDZBQOSA-N 440.548 2.193 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2C)C1 1359313401 LKHQHAFGJDKGHZ-PKOBYXMFSA-N 433.578 2.221 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOc1ccccc1 1360693676 JVJFSJAQACXXNV-DYESRHJHSA-N 446.577 2.487 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C1 1360793312 CWYWLVGDJJKMHL-DEOSSOPVSA-N 449.559 2.311 30 10 IEEE CN1CCN(c2ccc(CNC(=O)COc3ccc(C#N)c(Br)c3)cn2)CC1 1440899805 IAQZRACTFYVYNW-UHFFFAOYSA-N 444.333 2.163 30 10 IEEE C=C[C@@H]1OCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 1460108457 JOVGQBQDCYCRJD-XEBPYGPHSA-N 435.933 2.426 30 10 IEEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1460919900 SIJRUFWLABFQFB-OAQYLSRUSA-N 425.554 2.160 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cc1 1461431454 KMGUYBRMLBXRPS-MRXNPFEDSA-N 433.452 2.498 30 10 IEEE C#CC1(O)CCN(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 1468528490 MZVHTHAOWAQWEX-SFHVURJKSA-N 425.451 2.248 30 10 IEEE C#CC[C@H](CCOC)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1478642781 VJYUJPHXZBOROI-OAQYLSRUSA-N 428.577 2.085 30 10 IEEE CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1503366490 AQNCWMGPSOSDJV-UHFFFAOYSA-N 447.543 2.044 30 10 IEEE COCC1(CCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCCC1 1504622498 PPZRTSWLSURSQH-UHFFFAOYSA-N 426.569 2.424 30 10 IEEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1505325302 RCHFZQLWCYKRGY-ROUUACIJSA-N 438.523 2.096 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1507538481 MQQABJMSLLMTBH-UHOSZYNNSA-N 446.596 2.385 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1508078856 KUVNOXVYRMQRQF-SFHVURJKSA-N 440.548 2.141 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1508086992 ADYXMHLQLPBXMX-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1508130136 UZCTZOLWFQIOJZ-HXUWFJFHSA-N 448.527 2.489 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)cc1 1510981503 DMPUJACJUDZPDK-UHFFFAOYSA-N 446.577 2.235 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1nccc(C(F)(F)F)n1 1511886637 KCENUHLQWIBUCY-UHFFFAOYSA-N 443.437 2.231 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1515442958 FRKLLNFLDMSPSD-QGZVFWFLSA-N 441.513 2.383 30 10 IEEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)[C@@H](CC#N)c3ccccc3)cc2)CC1 1538127411 KVGSZJYRZGNVRE-FQEVSTJZSA-N 441.509 2.007 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1c(F)ccc(Br)c1F 1538732093 UQIVRMHPBCWLNG-UHFFFAOYSA-N 430.230 2.405 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539223065 ZBQNZZHUIVODHZ-VQTJNVASSA-N 449.621 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCO[C@H]1C 1539301947 XLQSOBNDYTWWDR-UUOWRZLLSA-N 430.512 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1539469694 UPMNOSKOKYKBTO-QGZVFWFLSA-N 436.560 2.129 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccccc2)CC1 1539476328 VXKNKIIZCLZAQT-VWLOTQADSA-N 444.539 2.214 30 10 IEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539693429 KWJBOXVXJJAFDR-KRWDZBQOSA-N 426.521 2.485 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 1539781420 CPPZLACNZKQHFL-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE C=CCCOCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540042108 LDQKOAXDEGHIFB-FGTMMUONSA-N 446.552 2.370 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1540878516 ZAGYHASGVWPCAI-UHFFFAOYSA-N 449.559 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1540909064 WKNOJRVGICDPDN-HNAYVOBHSA-N 448.536 2.013 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1542986956 DUQULCSKHTXPCG-HNENSFHCSA-N 440.552 2.089 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@@H]1NC(=O)OC(C)(C)C 1544451838 YPDVUCBOZULQHU-DYVFJYSZSA-N 439.509 2.498 30 10 IEEE CC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1)OC 1545960386 CATOGYXGAGRDLZ-SFHVURJKSA-N 446.577 2.360 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1548266157 UCSOZFQNCSCVGF-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE Cc1oncc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369422 BHXWAYXXPVGXMX-SFHVURJKSA-N 447.417 2.483 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 1557612493 GJMQZCKSNKWMSA-ZFWWWQNUSA-N 447.479 2.464 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 1560009621 ZJHMIVGPROZXEN-VLIAUNLRSA-N 436.350 2.447 30 10 IEEE COC(=O)CCN(CC#N)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1560080107 QGSOKGMKCVXTHA-UHFFFAOYSA-N 425.464 2.491 30 10 IEEE CN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 1566318224 WEZMXNHZKDPACC-APWZRJJASA-N 436.434 2.199 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)CC(F)(F)F 1587974965 HUELOUGHXUXXSJ-UHFFFAOYSA-N 447.465 2.146 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588034024 AAKUIHQAAHPKAD-AZUAARDMSA-N 446.573 2.251 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1csc(CC)n1 1589069082 IMBHBQYYFSITCV-CQSZACIVSA-N 439.632 2.202 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1589097547 SIVAFOVSXUTAHW-QFIPXVFZSA-N 428.558 2.262 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1594679995 MGKCGNZCLNLNNI-CVEARBPZSA-N 435.550 2.131 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)CC1 1594798000 LOGUGNPAWLRCSF-UHFFFAOYSA-N 443.504 2.197 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1595475411 CHXLJLGUWPSHHH-IBGZPJMESA-N 445.589 2.136 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)C[C@H]1CC 1595496913 KQSPIEFQVKJSID-NVXWUHKLSA-N 431.562 2.276 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCOCC2)C1 1595737558 CSOSGSWNVUSZFV-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCc2ccccc21 1611676820 DMBOVGIVBUERLE-CRAIPNDOSA-N 428.562 2.358 30 10 IEEE Cc1nc(C)c(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1612381089 AVPRWEHAGNFGEQ-UTKZUKDTSA-N 446.577 2.364 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1612978488 SKYKWAOOLROJBH-YLJYHZDGSA-N 427.505 2.149 30 10 IEEE C#Cc1cccc(N(C)C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1615691586 BGMRBJPAKIJVRP-BHIYHBOVSA-N 432.542 2.301 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1617638937 QPHXZNIVGSPZSV-TXPKVOOTSA-N 446.502 2.482 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1617698305 YBWYVFXPVVHXNZ-UHFFFAOYSA-N 442.955 2.418 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1619914706 UUGXBIKDIBKTEG-REWPJTCUSA-N 441.532 2.254 30 10 IEEE C[C@H]1CN(CCN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)O1 1623321955 BRJFQWAUTLWWAT-IDLDRQNPSA-N 434.581 2.341 30 10 IEEE C=CCC[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1624303945 OCVSRVPKILQONN-HZPDHXFCSA-N 435.525 2.478 30 10 IEEE CS(C)(=O)=Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1625121201 JPOCJHWOWXUUJG-UHFFFAOYSA-N 446.554 2.064 30 10 IEEE COc1ncc(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)cc1C#N 1626396669 ARARNVNHKFWXMM-UHFFFAOYSA-N 431.246 2.479 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(CC#N)n1 1633131221 YEFGMQAZDIAHBI-FQEVSTJZSA-N 444.513 2.251 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1 1640341672 FLKRMLAINTVALG-JOCHJYFZSA-N 447.557 2.214 30 10 IEEE COc1cccc(C[C@@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)n2nnnc2C)c1 1641927081 OYZLKFJXOUWPDH-QFIPXVFZSA-N 431.500 2.447 30 10 IEEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)C(=O)OC 1642412021 ZSZYRFHIJMPHEW-IBGZPJMESA-N 426.494 2.123 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)c2cc3ccccc3n2CC#N)C1 1642638769 GSBMURYTWQDCIP-UHFFFAOYSA-N 437.500 2.116 30 10 IEEE C=CCn1c(SCC(=O)N2CC[C@](O)(CN(C)C)C2)nnc1-c1ccc(Cl)cc1 1644123810 PAXKSRXHQRVJOB-FQEVSTJZSA-N 435.981 2.402 30 10 IEEE CCN(C(=O)Cc1noc(C)c1C#N)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1645518512 WCTVQBRMLYXMQX-OAHLLOKOSA-N 447.536 2.104 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)C(=O)C1 1648932353 ZQMMBUUFHOOVLY-UHFFFAOYSA-N 439.328 2.015 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCS1(=O)=O 1689840191 UTTOIRZEXKVRSH-CYBMUJFWSA-N 425.917 2.231 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1689955597 NOIOTDUYNKGJGK-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(NC(C)=O)nc1 1690051164 OQZHFVWHUJLKLN-UHFFFAOYSA-N 433.541 2.498 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C1CC1 1690060881 LNENJESQWIFQBU-NRFANRHFSA-N 430.578 2.167 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690153806 BDJGAEOHRJHGTB-UHFFFAOYSA-N 441.605 2.481 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690167507 KMYPEHRVADBPQM-INIZCTEOSA-N 428.537 2.491 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1690507578 PTANJHWFGFQZHQ-KRWDZBQOSA-N 438.532 2.257 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1690526720 CLIHFUJDDGCTRF-IBGZPJMESA-N 445.589 2.038 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(OC)C2)cc1 1690680285 NRKNRWYOGPORTP-KRWDZBQOSA-N 432.546 2.018 30 10 IEEE CCN(CC)C(=O)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1695584280 CJVTUMZXBKRABI-HXUWFJFHSA-N 449.559 2.499 30 10 IEEE COc1ccc(CCc2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1697411251 SOFBOSHEDKPKNJ-UHFFFAOYSA-N 425.514 2.154 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1698188064 UKUZNIVTDFRLCS-UHFFFAOYSA-N 448.527 2.494 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1705501302 HRENWINGRSDFKC-CQSZACIVSA-N 427.896 2.180 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCCC2=O)CC1 1705540134 OHACRGDTPVTFIL-RXVVDRJESA-N 429.565 2.397 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1705559428 ANOZPFSOQFQMKI-SQNIBIBYSA-N 444.557 2.258 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1705570149 NHRXEXNDRYTMSB-IBGZPJMESA-N 434.512 2.378 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705608710 BGBJSEDMCPVOCK-KRWDZBQOSA-N 438.557 2.234 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1705625804 XIOOUZMFYBBJOL-FZEVHQGJSA-N 443.548 2.309 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CC(OCC)C1 1705631018 OIKPPZHCIZVUQE-CXVUKDAWSA-N 434.581 2.213 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1705641369 CGLBZBAPGDDEPZ-UHFFFAOYSA-N 434.588 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC2(C)C)CC1 1705650889 BQPBELJQERJAQK-IBGZPJMESA-N 440.592 2.193 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1705691389 FIBUZPUNXLDFNV-HNNXBMFYSA-N 436.358 2.140 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1705718766 AGZXZOIQRGTIMH-UHFFFAOYSA-N 436.358 2.462 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1705830088 IXRGCUFPFRJLHV-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705884120 GXHJKEFFPDCIAS-MOPGFXCFSA-N 437.610 2.389 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](OCc2ccccc2)C1 1705907791 XPLFPBOVCHVCSU-OAQYLSRUSA-N 449.559 2.237 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)s1 1707844588 BQAFZONHEBVEEK-CQSZACIVSA-N 436.545 2.276 30 10 IEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1709719905 GJIFRPAMOSAAHY-UHFFFAOYSA-N 449.563 2.381 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1709938325 MVCFOOOIWZQEOS-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCOC)CC1 1710336416 OBOABFARVCIFPL-UHFFFAOYSA-N 425.537 2.485 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1722281680 ZFTUIRCXVONUFN-IRXDYDNUSA-N 429.496 2.264 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1722295240 UXZUBKFWNDCJQZ-INIZCTEOSA-N 435.532 2.218 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722322838 WGNUTRMWKUYKQS-INIZCTEOSA-N 427.509 2.012 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@H]1OC 1722357363 AKMVUMKVPKFQGW-ZJPYXAASSA-N 433.553 2.170 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1722369060 VCTCBPOMOUSQNW-GOSISDBHSA-N 443.529 2.009 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nnn(C)n1 1722372614 AUROSNXPSRWDCU-MRXNPFEDSA-N 438.923 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCO[C@H]1C(C)C 1722387418 VIVJLVCMQYIRLG-XLIONFOSSA-N 425.558 2.404 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1722409716 FRUGRMMPHSCDNA-QFIPXVFZSA-N 433.560 2.429 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](CC)Oc2ccccc2F)CC1 1722438173 NQCXQYYQUOJTFZ-SFHVURJKSA-N 435.507 2.487 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722440065 ZRWITEQMSXZYJS-SZPZYZBQSA-N 435.620 2.387 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722452732 KBPGJRJHPDQJDD-NRFANRHFSA-N 431.537 2.020 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(CN2CCOCC2)CC1 1722459015 AMRAWVBZGQFWOB-HXUWFJFHSA-N 433.622 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCOCCS(C)(=O)=O 1722467453 BTFYUZPKPJJJBO-OAQYLSRUSA-N 432.546 2.007 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cnc3ccccc32)CC1 1722574740 QUEYQPFYDGWUJT-INIZCTEOSA-N 443.577 2.341 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1722656006 OOLXXJUYJYALDY-HXUWFJFHSA-N 436.516 2.053 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)CC1)C(C)C 1722664519 BOTNZQHIWFAFDA-UXHICEINSA-N 430.597 2.197 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1722711732 HXBRQTDESDFDFU-HXUWFJFHSA-N 447.543 2.461 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)CC1CCOCC1 1722728678 AGWHJFBMIQGGRE-UHFFFAOYSA-N 439.607 2.097 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1722868729 LIZAMSCOGUMIRL-RXVVDRJESA-N 440.548 2.499 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1723391864 YSELHIQZJMATQA-GOSISDBHSA-N 425.537 2.480 30 10 IEEE CC(C)COCCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723502134 VKBBIWULYDEXBB-INIZCTEOSA-N 426.521 2.380 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)N2CCOCC2)CCOC1 1723675321 BLVJIJACYVKNCC-AUSIDOKSSA-N 446.596 2.169 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1726691166 DNNLIMVWIZMQMM-DHBXDJLTSA-N 427.534 2.130 30 10 IEEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1730549796 CEPPCCPAKYEPNA-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cnnn2)CC1 1731185967 NQQKPYBPUMGOCD-UHFFFAOYSA-N 429.435 2.363 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740577757 OLOQGKUHHMWQGV-INIZCTEOSA-N 449.602 2.087 30 10 IEEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740579705 VJOALHJKLXIWCR-IMSXRSKXSA-N 445.608 2.279 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCC(F)F)CC1 1740697930 JDDGSRYCXGOVKJ-UHFFFAOYSA-N 428.487 2.387 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1740722850 GHWBFMCIANUPGN-WMZHIEFXSA-N 428.581 2.007 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1740890244 VUTGVHVRPAKFIR-AWEZNQCLSA-N 425.580 2.105 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1740893121 XWGKTEAHUHMZPA-UHFFFAOYSA-N 447.609 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740957072 AJLQSPQDZJHYAM-LJQANCHMSA-N 445.527 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1740990508 BNTZICQOFISUCV-QAPCUYQASA-N 447.561 2.036 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1741150552 CZKBTRBMBKISBC-IBGZPJMESA-N 447.547 2.412 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1742060539 AIPLJQOWBYAPCG-UHFFFAOYSA-N 440.529 2.390 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1747811796 NOHCUBLHKDTORQ-UHFFFAOYSA-N 440.458 2.451 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1748717481 ASXVYZSXQIOHFM-WOJBJXKFSA-N 433.622 2.296 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1748757840 MJKYWWOIFISGOB-MOPGFXCFSA-N 428.581 2.335 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1748907074 MPNUGIFZDGCIGD-UHFFFAOYSA-N 442.608 2.256 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccc(C)cc2)CC1 1748990202 VRVRZJXKNSJOGY-PZJWPPBQSA-N 441.601 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCC(C)CC2)CC1 1749008915 DCQLANHXGWPTKK-NRFANRHFSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCn2cc(C)cn2)CC1 1749016425 DPUNOAWJHCZJBS-UHFFFAOYSA-N 445.571 2.348 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749047322 VALYOXVQCIQMTB-QAPCUYQASA-N 429.521 2.077 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1749063883 ICYUTMSXMUVILE-OAQYLSRUSA-N 426.546 2.358 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749175107 HMGAQBCDRBDKIM-SLNYWTKHSA-N 436.516 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749727647 ZKBXQRQYSPLRRM-GOSISDBHSA-N 440.573 2.348 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1750546359 BJGGDQVLUJJSLN-UHFFFAOYSA-N 442.589 2.237 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2Cc2cnn(CCOC)c2)c1 1760126588 CQSNKPYPAREHGJ-UHFFFAOYSA-N 435.532 2.349 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(COC)CCOCC2)c1 1760128295 DXFGUQSQUQSASD-UHFFFAOYSA-N 425.533 2.340 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cnccn1 1760135051 GZPPDASMENDINI-UHFFFAOYSA-N 438.561 2.468 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)C(=O)C1 1760150284 DHMSVJOVJKCYQW-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1760152232 GYQGXMFZHMVWCX-UHFFFAOYSA-N 434.500 2.415 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760156506 ISXPINJDXFDAOK-UHFFFAOYSA-N 427.574 2.419 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760191423 HCQIEOYJJZVVPX-LJQANCHMSA-N 446.573 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1760553967 NJHYUGKMKIZHMO-LJQANCHMSA-N 440.529 2.383 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)C2)CC1 1765542413 AXQPKGFJPNSBHY-NRFANRHFSA-N 437.592 2.194 30 10 IEEE CCCNC(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1766238226 LVDMDVNESMZRQF-JOCHJYFZSA-N 432.569 2.365 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[C@H]1COCCO1 1766433532 QFXKZUQAEALZBV-VQTJNVASSA-N 427.505 2.070 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1Cl 1771304895 NCCXRBXVMMQLOP-FCEWJHQRSA-N 447.923 2.463 30 10 IEEE CON(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1771311842 KTOWHGXZSJCLEW-ICFOKQHNSA-N 434.403 2.071 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cnnn2)C1 1771530696 RQWSTKMYBHPMEH-GOSISDBHSA-N 431.863 2.029 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1772567042 UKPYJVQXOJGDNY-OAHLLOKOSA-N 433.944 2.166 30 10 IEEE CCc1cccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccnc(C#N)c4)CC3)nn2)c1 1850684535 SRADNZUQXDPEAG-UHFFFAOYSA-N 429.484 2.131 30 10 IEEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 1851228779 LAISNCOODKVJRU-HXUWFJFHSA-N 433.468 2.498 30 10 IEEE C[C@@H](C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1)N1Cc2ccccc2C1=O 1852104882 RGLGQVPUXPLRTI-PGRDOPGGSA-N 449.507 2.226 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Cc2nc3ccc(Br)cc3[nH]2)CC1 1852229496 WPRHFNINEPCJJO-UHFFFAOYSA-N 425.290 2.483 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1)c1snc(N2CCOCC2)c1C#N 1852637326 GOLMYRBFEWZBPS-YJBOKZPZSA-N 443.504 2.173 30 10 IEEE Cc1ccc(C(=O)O[C@H]2CON(S(=O)(=O)CCCOc3ccccc3)C2)cc1C#N 1854364259 HZAFXKKVYZVUDZ-HXUWFJFHSA-N 430.482 2.438 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)Cc4cccnc4Cl)C(=O)C3)C2)s1 1856290976 HNTUNTVFKOYWGL-MRXNPFEDSA-N 443.960 2.156 30 10 IEEE CC(C)N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C(=O)C1 1856308480 OHOZZOWLHJPYTL-LEWJYISDSA-N 428.558 2.031 30 10 IEEE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)CC1=O 1857294338 QHTANYFGOABNBL-VQIMIIECSA-N 428.920 2.364 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCC(=O)c2ccccc2)cc1 1858647420 DCQQWAYWRKAUCS-UHFFFAOYSA-N 429.498 2.140 30 10 IEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)n1 1858763307 VEZARUSXYLXAQI-UHFFFAOYSA-N 436.512 2.488 30 10 IEEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862563647 IAQGKCCCOKUEGD-SFHVURJKSA-N 427.413 2.497 30 10 IEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865623372 APWAFSXNCZPUTE-KRWDZBQOSA-N 439.472 2.492 30 10 IEEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868795871 NVJGFFJSOHLDSO-WOJBJXKFSA-N 445.633 2.472 30 10 IEEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(Cl)cc1 1869928433 XZGYNRLVLQRINP-FUHWJXTLSA-N 435.933 2.253 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)cn1CCOC 1870525493 OOOIJOHOCKEDGB-UHFFFAOYSA-N 439.556 2.406 30 10 IEEE C#CCOc1cn(CCCN(C)C)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870562262 XSPZYEFIXMVHPG-UHFFFAOYSA-N 426.536 2.273 30 10 IEEE Cn1c(C(=O)O)c(/C=N/n2cnnc2SCC(=O)NCc2ccco2)c2ccccc21 1873504988 WCWAKPXSZWTWCZ-AUEPDCJTSA-N 438.469 2.352 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)cn3)CC2)CC1 1889311714 GJGAQEKQFXBNRF-UHFFFAOYSA-N 449.393 2.106 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)Cc1ccccc1 1990680675 XPFGUXBVKFUJGE-KRWDZBQOSA-N 439.578 2.291 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)C1 2014241921 QWTDISUOLIKPGB-HOTGVXAUSA-N 439.553 2.334 30 10 IEEE COc1ccc(C)cc1C=CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 2040480589 UNEXZZKMZNMWLK-UHFFFAOYSA-N 425.510 2.422 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1C 2041194831 PFMVEAOPOISSIW-HSZRJFAPSA-N 442.537 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2224121157 PUOWQWHUVDURBO-NRFANRHFSA-N 434.298 2.224 30 10 IEEE CCN(CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243423457 ZKWZYXYCLZMJAE-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2250703556 RSRUHHSKAUKHJB-MGPUTAFESA-N 442.387 2.350 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCO1 2254801306 RCKPSITZIMDQFW-NVXWUHKLSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630492 LCMUHNMGIWMGPX-DZGCQCFKSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]2C1 2255637492 HINKBIWERUAFTN-OKILXGFUSA-N 449.382 2.381 30 10 IEEE C[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255807009 NOGIZYMAMGTWNJ-DGCLKSJQSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255861028 KEDWXWDYAXJELZ-RPYGNYITSA-N 431.342 2.490 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256016321 GPGPRDYLZZCGQS-XJKSGUPXSA-N 432.326 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2256614547 OGWZKSHSCASDEL-CYBMUJFWSA-N 442.268 2.088 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267131240 YVDGZWPMGQYYDK-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2267134628 SCGIRJCPTARPIV-GOEBONIOSA-N 448.373 2.187 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267143333 GUGVNSBOOVBSBA-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267521291 QUFYBRDJXWUFJL-ZIAGYGMSSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268631688 BGPCSSXDILNTLM-MRXNPFEDSA-N 446.353 2.151 30 10 IEEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1Cl 2270514682 RLCMXQVYZRYZNH-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE N#Cc1ccc(Cl)c(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270520180 AXNBEAVRGOLPFT-INIZCTEOSA-N 437.861 2.333 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCCC34OCCO4)ccc2Cl)OC1(C)C 2282499113 AHKQALPNWTUHQK-INIZCTEOSA-N 443.758 2.213 30 10 IEEE CCN1C(=O)C(=C2C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1nnc(C)s1 2314547766 LYUKAPDBXSSWEW-UHFFFAOYSA-N 429.483 2.272 30 10 IEEE Cc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328071930 WICIKCZUGGKDLA-RXVVDRJESA-N 431.492 2.110 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2337206131 IRWQMYRDOFLRFS-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE COc1[nH]c(=NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339787716 DSFRLEKVJAQJNC-NPMXOYFQSA-N 445.369 2.480 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nc2sccc2c1=O 10494811 UBMLFJKSFUHSMJ-HNNXBMFYSA-N 436.603 2.209 30 10 IEEE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 11343756 GPNPFVOAUXIFDZ-UHFFFAOYSA-N 435.889 2.352 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1O 21316582 BZMQBAYZQXPAOU-GZIVZEMBSA-N 449.443 2.161 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc1O 21316732 LCPUJNQTDWJOGU-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(CNC(=O)CC#N)cc3)cc2C1=O 219644080 MKIZQJZKRQERQS-UHFFFAOYSA-N 434.452 2.101 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)cc1C#N 427259117 YOVJTMKEBBVBRA-UHFFFAOYSA-N 438.531 2.100 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 434042727 PRHNJGFYHDZGLH-OAQYLSRUSA-N 436.959 2.453 30 10 IEEE CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccnc(CN2CCN(C(C)=O)CC2)c1 440719526 QFAPDQQBLMIIBR-GOSISDBHSA-N 435.528 2.438 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 441192571 WNFAAXTZGFSDIZ-JFHUYLGKSA-N 441.528 2.364 30 10 IEEE N#CC1CCC(CNC(=O)CNC(=O)c2ccccc2I)CC1 441685002 GNHITIJQEGWXIJ-UHFFFAOYSA-N 425.270 2.467 30 10 IEEE CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccccc1OC 503628024 XAKGSEHBTSPRFK-CVDCTZTESA-N 440.544 2.359 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)cc1 505120160 MUHCVKSLUQWKPU-UHFFFAOYSA-N 431.489 2.436 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C\c1ccccc1 508884287 GJYSZVXSOLFJRL-RBAUTDOXSA-N 431.562 2.337 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 519875234 IUHKSBIGQKRWPN-UHFFFAOYSA-N 439.515 2.222 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 519902874 VTQURLYFZSXMQM-UHFFFAOYSA-N 448.463 2.451 30 10 IEEE COc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1OC 525602812 GNRNOACDTATXEP-OAHLLOKOSA-N 431.514 2.175 30 10 IEEE C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 538125095 OMADROFMFBJMSO-MRXNPFEDSA-N 427.526 2.340 30 10 IEEE COCCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCS(=O)(=O)C1 543887743 FRBVUTQVEUBTCO-OAHLLOKOSA-N 437.909 2.065 30 10 IEEE C=CCn1c(Cc2noc(COc3ccc(C(=O)CC)cc3)n2)nnc1N1CCOCC1 545642485 LPSZGJQVAXSJNP-UHFFFAOYSA-N 438.488 2.446 30 10 IEEE CC(C)[C@H](NC(=O)CN1CCN(c2cccc(C#N)n2)CC1)c1ccc2c(c1)OCCO2 546919678 LVKOOFCZENDQGD-DEOSSOPVSA-N 435.528 2.360 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2C[C@H]2CCCO2)cn1 549458309 YBCZIUYWIXQIOH-GOSISDBHSA-N 436.495 2.195 30 10 IEEE CCc1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1S(=O)(=O)N1CCOCC1 549741526 YARNIWQWCHAJMP-UHFFFAOYSA-N 449.479 2.350 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 555290763 CTIJHZGNRUCFEO-KRWDZBQOSA-N 433.578 2.082 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)CCN1Cc1ccccc1 559541778 MAWNQUDGWCUSFV-SFHVURJKSA-N 446.429 2.438 30 10 IEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCCN(CCOC)C(=O)C1 569393476 FSLSSFLNQODLPC-UHFFFAOYSA-N 431.562 2.450 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 581912299 GPTQYIALNUAYBR-UHFFFAOYSA-N 432.506 2.230 30 10 IEEE COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc1 582718598 SSARRWNYPAYKOL-UHFFFAOYSA-N 438.549 2.280 30 10 IEEE COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 607717817 KMKKMZWKEBOOQX-QGZVFWFLSA-N 448.325 2.476 30 10 IEEE Cc1c(F)cccc1-c1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)o1 609668804 NRDZMZZZBDONDJ-UHFFFAOYSA-N 425.485 2.182 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 611916139 JLLLMTMEYUHKIX-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1=O 619666762 DLUQMWMWMYGFHF-DIFFPNOSSA-N 425.367 2.299 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3CC)c2=O)cc1 677124059 YCZTYZJTHMAZNF-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729331382 OIAGLJSZVBIFPQ-IBGZPJMESA-N 446.550 2.058 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665002 SLDNSPYLGYZPFH-IFMALSPDSA-N 440.569 2.341 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 734292083 BEEWQMFEWKBUMD-UHFFFAOYSA-N 447.538 2.160 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n([C@@H](C)c3ccccc3)c2=O)cn1 735069103 QBMQOFFNKXGMOZ-KRWDZBQOSA-N 449.580 2.153 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C[C@H](C)C#N)C2CC2)c1 754175717 UHFJSZRBSKOEFD-GFCCVEGCSA-N 444.351 2.138 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCc2cnc(C3CC3)nc2)C1=O 755566497 MOODYISVWXYWFH-INIZCTEOSA-N 440.529 2.068 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(C)cc(Br)c2)c1=O 772310493 DXKNNHVFKXWVBN-UHFFFAOYSA-N 429.339 2.342 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1-c1ccccc1 772902015 QZMVDBHTGFJPOI-UHFFFAOYSA-N 440.528 2.476 30 10 IEEE CCOC(C)(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 780320618 SXAZJDXSWUGWRJ-SFHVURJKSA-N 445.589 2.373 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 782999891 QXQLIQRHDOISCL-UHFFFAOYSA-N 439.541 2.393 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(O)(CN3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 790847475 VURUOIUGVNSNLI-HSZRJFAPSA-N 437.581 2.018 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 794578184 GJSIIIPNYWHSSI-HNNXBMFYSA-N 443.594 2.250 30 10 IEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 800775120 KITRNMANZOFVOQ-QGZVFWFLSA-N 441.532 2.224 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)cc1F 807933135 SGDOMHPEVLNIDA-LJQANCHMSA-N 448.564 2.480 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cccc3c2CC(=O)CC3)cc1Br 810787945 GHKHVIVDMPAJHZ-UHFFFAOYSA-N 433.283 2.497 30 10 IEEE Cc1ccccc1[C@@H](O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 811526062 WAXIWKXTQYEXIY-QFIPXVFZSA-N 427.526 2.117 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)s1 917771479 PJXJCSMZXYLQKA-UHFFFAOYSA-N 438.578 2.248 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1130480167 ZJKTVKCIXOBHBD-UHFFFAOYSA-N 435.465 2.490 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)ccc1Br 1132853161 NKUNHQPYEKWESO-INIZCTEOSA-N 448.342 2.468 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)c(C#N)cc2C1 1135108682 PMDXSULSTBUVFB-CQSZACIVSA-N 427.505 2.096 30 10 IEEE CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1136085842 CGQVMVKIBQNETB-UHFFFAOYSA-N 434.905 2.443 30 10 IEEE C=CCC[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1140627283 RJYVXGYOTQPZNX-FPOVZHCZSA-N 432.517 2.385 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)C1 1143720938 ZXGQKIKJODRUIM-RTBURBONSA-N 425.510 2.220 30 10 IEEE COCCCNC(=O)C1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1147083542 HFSQOGSQPNWHFR-UHFFFAOYSA-N 444.381 2.299 30 10 IEEE CCN(CCC#N)C(=O)CN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1176167742 XEISHWXTIGQVLA-PMACEKPBSA-N 433.597 2.297 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1178401295 SCMXYBHWYBDZCO-KRWDZBQOSA-N 437.562 2.324 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CN=S(C)(C)=O)CC3)ccc2c1=O 1178420793 QRDQFZADMUCHCQ-UHFFFAOYSA-N 434.587 2.451 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)ccc1F 1178837459 WIXDUUOSURRBSW-HNNXBMFYSA-N 441.525 2.371 30 10 IEEE Cc1cc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)ccc1Br 1189869135 PRPRNVSDCKILFV-UHFFFAOYSA-N 434.290 2.343 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1219437226 JLGXYHFDIVHBDQ-HNNXBMFYSA-N 437.338 2.277 30 10 IEEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1OCc1ccccc1 1225494315 BNTYXHKQHDWOMQ-INIZCTEOSA-N 433.468 2.460 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(c4ccsc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 1279054553 YHLAUJRYUFQLOT-JXFKEZNVSA-N 440.573 2.390 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccoc2)c1 1286311720 MEYJMJQWDBVGDY-UHFFFAOYSA-N 432.484 2.098 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1286448586 YNHZVLQTLMHCOA-QGZVFWFLSA-N 430.509 2.391 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NC)CC1 1286603781 KVPAZUSUTLEYMK-UHFFFAOYSA-N 427.505 2.229 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1286811443 BODTWBXTESWYGZ-REWPJTCUSA-N 439.516 2.316 30 10 IEEE CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1293772534 CRQKTHIRQIIDSK-OAHLLOKOSA-N 446.916 2.252 30 10 IEEE CCCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c(C)n1 1294157920 ZXZHZUQIDZZXAA-UWJYYQICSA-N 428.516 2.415 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3c(Br)nc4n3CCCC4)C2=O)cc1 1297334021 HROFGRFOUBQROF-OAHLLOKOSA-N 442.317 2.384 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1297525064 FVWCLGJBAOAWEF-KRWDZBQOSA-N 432.521 2.432 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CC2)c1 1300333877 DPYUQZADSDMKGA-GOSISDBHSA-N 441.557 2.037 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300501393 LKRDBWOCDJFPEN-LJQANCHMSA-N 433.622 2.122 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1300503393 CIWABLBUQNSHSZ-ZWKOTPCHSA-N 444.557 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1300587503 VIPXPUCWUFTYLD-FQEVSTJZSA-N 442.514 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC1(C(N)=O)CCOCC1 1300591401 QEQSJWBFABHOGP-UHFFFAOYSA-N 449.555 2.219 30 10 IEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1300633629 MQWBCVPLDOTWAR-FCQUAONHSA-N 443.511 2.336 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](OC)C(C)C)CC1 1300689019 OXPMUBOUQPMYLG-OAQYLSRUSA-N 427.549 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1300723455 UFUXIDHDLMZVKQ-QUCCMNQESA-N 436.560 2.165 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1300777218 RWQZOARKRRFJIM-NRFANRHFSA-N 431.537 2.325 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC 1300789398 KPRJCDCGVLWADJ-OAQYLSRUSA-N 431.562 2.224 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2sc(C)nc2C)C1 1301567972 ZWIFYLPCXQALOW-QGZVFWFLSA-N 430.578 2.498 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1302055295 WMLYJMSGJGRZAF-JUXOCIIHSA-N 432.569 2.391 30 10 IEEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1303426492 SSDBIWQDCVMTFX-UHFFFAOYSA-N 427.509 2.051 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(Cl)s1 1303835583 BWAQEJUTOGYFHZ-BDJLRTHQSA-N 446.961 2.288 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1305255268 CQCZTSKJLRUMEG-ZMSDIMECSA-N 426.546 2.338 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CCN1CCOC 1306409451 JTIZDRGGIGVJRZ-UXHICEINSA-N 430.528 2.348 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1306532406 YDEWNHBTCOASEO-YADHBBJMSA-N 443.573 2.383 30 10 IEEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1313391013 RFCJBLXPYSPDAS-LVIWNVNYSA-N 447.557 2.379 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1315239393 ZVCUSHHIEFCDGJ-ZDZITJCTSA-N 430.553 2.497 30 10 IEEE COC[C@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1315809915 CCBVATRTLUQEAP-DNVCBOLYSA-N 438.866 2.288 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)cc1 1316335001 DOCGLOYORBQTEP-QGZVFWFLSA-N 445.545 2.004 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358920352 XQHGMKOZULTTCV-LPHOPBHVSA-N 449.552 2.489 30 10 IEEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1358920669 FHEIWBFIPDBSCB-ICSRJNTNSA-N 425.533 2.400 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1358931640 IGNIOOWBKZELNN-QHCPKHFHSA-N 443.555 2.026 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1358946730 GYPKQASCSVLONM-HKBQPEDESA-N 438.557 2.046 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1359038206 NHSPNJFWPJIKKC-GMAHTHKFSA-N 439.608 2.346 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2=CCCOC2)CC1 1359039273 BOIJRNUCMDOJBW-UHFFFAOYSA-N 437.544 2.358 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359095635 QBPFBNBRWQNJOL-VQTJNVASSA-N 445.589 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359299636 KFWIZVZEEOJGTR-SFTDATJTSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359299683 KYVJQOJTSDKOQN-KRWDZBQOSA-N 441.532 2.054 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCCCC1 1359334848 RYNHUEALVNVKGU-UHFFFAOYSA-N 437.591 2.251 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359334939 VHVKHIXWIKRNNR-KDURUIRLSA-N 441.557 2.422 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C2CCC2)CC1 1456625441 MSZAHNWITHJHAJ-SFHVURJKSA-N 433.574 2.293 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3c(sc(N)c3C#N)C2)s1 1456731266 DSILFTHCNNNHAZ-AWEZNQCLSA-N 436.584 2.310 30 10 IEEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCCNc3ncccc3C#N)ccc21 1462929701 ZKMZFCBAZJOOIZ-UHFFFAOYSA-N 427.530 2.378 30 10 IEEE COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(OC)c(OC)c1 1465548382 FYIOZDFTDFWFMG-UHFFFAOYSA-N 436.417 2.179 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCCO1 1467292814 KHUZJGSDIYMORF-YTFSRNRJSA-N 434.492 2.183 30 10 IEEE C#C[C@H](NC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1)c1ccccc1 1468549319 OIRDRNVMRAEXLT-VWLOTQADSA-N 448.567 2.446 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCCCN(C)C3)nnc12 1472600934 GDDZLWLMADIWPY-MRXNPFEDSA-N 440.573 2.170 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3cc(OC)cc(OC)c3)CC2)c1 1473216879 CDRAHHDPIBCBPX-UHFFFAOYSA-N 436.512 2.151 30 10 IEEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1475127965 GXSKFBHEWCHXND-HIFRSBDPSA-N 436.511 2.197 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(Cl)cc1 1478897662 YZHWCKGCCZPDBF-SXOSEBPOSA-N 438.933 2.213 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1 1492467521 HFRJRWSIURCVHE-CBGDNZLLSA-N 429.546 2.148 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)n1 1492736075 TUZRCHFGNPRXSN-QHCPKHFHSA-N 432.532 2.126 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1504890296 XIFIUAYIZYLGCL-IBGZPJMESA-N 435.532 2.375 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)(F)F)CCN1C1CC1 1505322254 KWFJKQNBVNKWJV-GOEBONIOSA-N 428.459 2.275 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1507523679 OWSSTIZRJCIZML-MSOLQXFVSA-N 427.549 2.389 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1507710501 HJMGOZLTPYKHCW-MSOLQXFVSA-N 435.569 2.371 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1507711897 LEOGMTQNUXSTHV-SFHVURJKSA-N 431.968 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCCOC)C1 1507806882 ORKSPLLGTUGZGW-IPJJNNNSSA-N 447.580 2.014 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1)c1ccccc1 1507924542 OWJQXHJZFUTMHZ-AQNXPRMDSA-N 425.533 2.441 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1507978776 SIQCNPOMQDHMFF-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1508020705 PXXSRGWXCLIOAF-QGZVFWFLSA-N 448.568 2.290 30 10 IEEE CCCNC(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1515077682 FSPNJLHEORYXOG-UHFFFAOYSA-N 443.527 2.068 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1516979200 GOMSZJJNFKUCDN-RBUKOAKNSA-N 439.520 2.390 30 10 IEEE CC(C)(C)OC(=O)Cn1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1529961083 BXOCHOWCMCGCIT-CYBMUJFWSA-N 444.879 2.136 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1531089997 QZIMXDAFZHHBCW-LJQANCHMSA-N 429.318 2.275 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1539431028 OJXADUDYJWJFHJ-NZQKXSOJSA-N 436.604 2.162 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539723558 UMZGAXXVBSOTBB-RTBURBONSA-N 446.596 2.347 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(OC)C1 1540033804 PWXDUNMJNBKIPE-UHFFFAOYSA-N 434.566 2.056 30 10 IEEE CC(C)CN1CCO[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1540454677 YJLZGPNWCFXRQT-SFHVURJKSA-N 435.366 2.230 30 10 IEEE CCCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1540708610 HJRWAIRHKKINGZ-JWRWLIQVSA-N 439.578 2.199 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540874015 RYNNXYPNWKKUHO-UHFFFAOYSA-N 438.576 2.060 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1540904885 OZISCOWCOXJJEW-QUCCMNQESA-N 445.589 2.464 30 10 IEEE O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CN1 1543773080 XJMHWQCHJXRAHY-GHMZBOCLSA-N 429.292 2.257 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(=O)N(C)C)cc1 1546215359 CWLZSNAVOHRRNE-UHFFFAOYSA-N 444.543 2.189 30 10 IEEE CSCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555936126 CZPFIYAXBGUGQW-QGZVFWFLSA-N 449.588 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1556132267 HPSIIRCZQUCQEQ-FZKCQIBNSA-N 440.516 2.457 30 10 IEEE C=CCOC[C@@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)C(=O)OC 1556375366 HVAUEEPKQXLRGH-LLVKDONJSA-N 444.307 2.354 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C1CCOCC1 1585148514 BIJUUANQVQRKGR-KRWDZBQOSA-N 441.347 2.048 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)s1 1586091115 KNJFXXRTBUVBDO-UHFFFAOYSA-N 446.558 2.493 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 1587922633 HDYNPXKCIFADGW-OXQOHEQNSA-N 432.473 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)[C@H](C)CC 1588124992 XWRANFQAIQIVSY-XLIONFOSSA-N 432.528 2.326 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1588811127 AHMCRSWZCPBZTC-RBUKOAKNSA-N 425.533 2.013 30 10 IEEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1589372045 VNPYFOASICUUBY-HNNXBMFYSA-N 447.351 2.132 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1593625400 UQXCEDQIJWJQIS-ILZDJORESA-N 426.569 2.058 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCO[C@@H]1C 1595275943 TXMHYILJSHEJMZ-ACJLOTCBSA-N 440.342 2.214 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)n(C)c2)C1 1595982148 XEIZHRQXWDEVAQ-KXBFYZLASA-N 426.542 2.215 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)cc21 1598315831 HMWIUNSAGICPFC-INIZCTEOSA-N 436.534 2.489 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1611308673 RUPJNHBDLHVDLC-MAUKXSAKSA-N 445.545 2.012 30 10 IEEE COCCN1C[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)CC#N)CC1=O 1619930752 DCRGIIZAYFOYNG-JRBPQWBISA-N 446.596 2.430 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](CNS(C)(=O)=O)C2)n(C2CCCCC2)c1C 1620560814 FFDRXSZZZJMEBA-QGZVFWFLSA-N 435.594 2.291 30 10 IEEE CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1625389448 FQHBENSFEBTCMY-UHFFFAOYSA-N 434.528 2.176 30 10 IEEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1628895313 SGJNSOYXOSOTLC-XCLNPWKQSA-N 426.492 2.098 30 10 IEEE CCOC(Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1)OCC 1628900249 BMZGXLQPVMZHSW-FQEVSTJZSA-N 429.496 2.444 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 1635701870 VTDDSNMMTSPXNY-NMLBUPMWSA-N 438.528 2.278 30 10 IEEE C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2cncnc21 1636521803 AALQFORENUDWIR-OAHLLOKOSA-N 427.530 2.221 30 10 IEEE CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1638018934 OGUAVCDFPJTQAJ-DLBZAZTESA-N 425.570 2.340 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1 1638530459 KLTYVVIJLQGDTG-SFHVURJKSA-N 449.573 2.460 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](c1ccc(F)cc1)c1ncc[nH]1 1640555778 YBNJMKKYAAIGOP-IFXJQAMLSA-N 441.488 2.335 30 10 IEEE O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NC[C@@H](O)C(F)(F)C(F)(F)F 1643519269 AAEADJBERNUWPL-SNVBAGLBSA-N 443.312 2.240 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1644785421 LSYFDQKEFLNERB-UXHICEINSA-N 435.952 2.243 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)s1 1644821681 QJIJZTGJPYBQOZ-WCQYABFASA-N 426.482 2.323 30 10 IEEE C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1649065735 MDQRCIQCPDXVAB-FQEVSTJZSA-N 435.933 2.255 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H]1C 1649539970 SVMYIVODVZUTEW-SJORKVTESA-N 443.621 2.489 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C2CCCCC2)C2CCCCC2)c1=O 1652525229 WDJYZDDGMOTAEG-UHFFFAOYSA-N 430.549 2.038 30 10 IEEE COC(=O)c1ccc2c(c1)CCCCN2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1652766348 WIAGLOJTNUCADK-HNNXBMFYSA-N 441.509 2.381 30 10 IEEE CCN(C)C(=O)[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)C 1653665462 AZLCUHXFJLANOJ-VGSWGCGISA-N 443.592 2.449 30 10 IEEE O=C(C1CCN(C(=O)c2ccccc2)CC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811365 DQFOJMYSBGGLFR-UHFFFAOYSA-N 435.480 2.443 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1655391961 WGAWDYLGBNJJIE-MSOLQXFVSA-N 428.576 2.182 30 10 IEEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCCNc3ccc(C#N)cn3)ccc21 1661339871 RMPOEZGEJIPJHO-UHFFFAOYSA-N 427.530 2.378 30 10 IEEE C#CCOc1ccc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1672951960 NPSYZSQIXYBWJH-QAPCUYQASA-N 430.448 2.350 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1686497864 GICAVCQTRKWISQ-KSZLIROESA-N 438.569 2.219 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[C@@H]1CCOc2ccc(Br)cc21 1686854193 UWIBRJCXNVIWRG-HUUCEWRRSA-N 434.290 2.065 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CCN(C(C)(C)C)C3=O)c(C#N)c2N)cc1 1686885545 WFSIMVGGSIHMHU-LJQANCHMSA-N 437.548 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1689831640 OJSSEBMAAFCUFP-MBSDFSHPSA-N 441.580 2.337 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1689984376 OJRHHSFHGHNFKD-LJQANCHMSA-N 440.525 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)cc1 1690034565 LUGUSUQYRSTRDD-XMMPIXPASA-N 435.528 2.400 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1690059244 MKOQHLWELWDJFA-CYBMUJFWSA-N 429.468 2.415 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC=CO1 1690063909 UBHRVCWZDSUERV-SFHVURJKSA-N 429.546 2.348 30 10 IEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC(=O)N[C@H](C)CC)CC1 1690120391 SZRBWRAGXXRVLW-GOSISDBHSA-N 433.560 2.486 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2cccs2)CC1 1690130627 JPPICOIRRXOPJW-UHFFFAOYSA-N 448.596 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(OC)c(OC)c2)CC1 1690137360 WEMPEKYNLLLSBL-UHFFFAOYSA-N 425.533 2.433 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1690154719 XLTVMDNACCLFBA-FHWLQOOXSA-N 430.622 2.093 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690319219 GOBJJQSMXIMCFC-UYAOXDASSA-N 436.516 2.036 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1690506354 LFPWUDSIEDXMON-UHFFFAOYSA-N 438.492 2.496 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(OC)CCOC1 1690558101 FCMCTIATVZXEGV-QHCPKHFHSA-N 438.532 2.286 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 1690678063 JMAHAVKYOVAQOJ-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CN(C)C2=O)C1 1690687732 IGVITGOEUOKYBG-LIRRHRJNSA-N 449.353 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCCCC2)CC1 1690722645 QFHBHXAKVCIYRC-UHFFFAOYSA-N 432.594 2.329 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691545667 FNVHSRNCUOWOPW-DENIHFKCSA-N 439.520 2.437 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1695913371 CADXRKHBTDJQOD-CQSZACIVSA-N 432.475 2.038 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1697211391 GEUUPHWBMFYSFB-DENIHFKCSA-N 427.505 2.149 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@H]1COCCO1 1698233316 XXPQGDAVKFCVPX-ACRUOGEOSA-N 441.532 2.316 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1705543977 AZKJRVYDIPEREQ-LBPRGKRZSA-N 441.326 2.351 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccsc1 1705608186 HGKMLVJCUGFWDY-OAQYLSRUSA-N 434.529 2.350 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCC1 1705611124 QMPMZPLGCHGADX-UHFFFAOYSA-N 430.578 2.393 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1705612355 FOQZVODTKRZCTC-AZUAARDMSA-N 445.589 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705708815 HRXLEVAIBYRONU-XPNTWCBSSA-N 446.640 2.401 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1705906309 ZTVCTHUZNHYQAK-UHFFFAOYSA-N 442.951 2.149 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1706923678 KVILIOCWGKTZAJ-YCPHGPKFSA-N 443.483 2.284 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)Oc2ccccc2F)CCOC1 1710482229 CBCUYLNKIOUZDN-GSHUGGBRSA-N 445.495 2.266 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(OC)c1 1712560761 AIDNCLLLZKPYNQ-PXNSSMCTSA-N 440.548 2.236 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722313495 BBBBYGIALJTTOI-UHFFFAOYSA-N 433.516 2.150 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722439322 XVAZHHVQMLOUBX-FGZHOGPDSA-N 435.620 2.387 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCc3ccccc32)CC1 1722573831 AUXNYLDMPZDTPK-AOMKIAJQSA-N 445.589 2.125 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)CC1 1722574222 HYYOYJGHNZUJSB-HIFRSBDPSA-N 431.653 2.139 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722623556 ITPLKDNIYABHCQ-SFHVURJKSA-N 441.532 2.366 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722629390 PZRKRBSUURUFFM-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCOCC1 1722678664 UVXOSOLMFCGVSZ-UHFFFAOYSA-N 443.548 2.423 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CCOCC2)C1 1722706483 UGZBLHOBOVYRHJ-UHFFFAOYSA-N 441.532 2.175 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CCN(C)CC2)C1 1722711496 FBGOYJPJJVZDIA-QGZVFWFLSA-N 429.594 2.344 30 10 IEEE CNS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N 1729736381 BGVLXFXNNMFXKZ-KBPBESRZSA-N 440.957 2.217 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CCO1 1731186579 DUVQGJHVCUSWDH-KRWDZBQOSA-N 440.891 2.274 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740582576 OZPIDCVNLXOCQO-GOSISDBHSA-N 442.541 2.002 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)COCC)CC1 1740692316 IMLPROSWHFEALF-QHCPKHFHSA-N 433.597 2.137 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1740793544 KPTBZWBAXIYMIM-UHFFFAOYSA-N 429.521 2.359 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1741284338 DWVKCFSJINIEPO-VQTJNVASSA-N 449.559 2.036 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1748670602 ATAXSTYLSDAECL-SJORKVTESA-N 432.546 2.116 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(N2CCOCC2)nc1 1748794663 FFZLGEQFAGSLHF-UHFFFAOYSA-N 432.528 2.249 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCc1cnn(C)n1 1748843072 ZMZDQAQNCVNUGB-UHFFFAOYSA-N 426.484 2.434 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)CC1 1748999126 JJYNSJKISPVSQG-QFIPXVFZSA-N 447.967 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749127363 KZQNZZFPDULCNJ-PFFSRIRZSA-N 443.470 2.366 30 10 IEEE C=C(C)COCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1749240993 BHEMSDNMHLWWFJ-YJBOKZPZSA-N 434.459 2.290 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1749487459 DQMVBHDCGALFAT-QGZVFWFLSA-N 439.969 2.129 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1749599613 HTYGBYSJYXPOEB-RXVVDRJESA-N 443.548 2.150 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOc2ccccc21 1749821675 DWNIHGAYTFDPIE-SFHVURJKSA-N 438.532 2.447 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cccs1 1750138209 TUAFLBQGUKEKTE-WMZOPIPTSA-N 444.561 2.234 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1750289877 HAGOMASSLRPWOS-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1760108546 ZCGMBTSHAXFILK-UZUQRXQVSA-N 427.549 2.267 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760150434 HOUXHRLEJLNBQV-UHFFFAOYSA-N 431.562 2.275 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760165075 IMWKBMXHDBCXIM-SELNLUPBSA-N 433.597 2.276 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760277613 QCNSFULIBJVOBZ-QHCPKHFHSA-N 436.585 2.484 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760283905 CJVWVBSGMOHNFR-GOSISDBHSA-N 425.558 2.343 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)N(C)C)CC1 1760388285 KYLUZHFMXOJCFP-UHFFFAOYSA-N 435.532 2.481 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1760505203 OACZPGUZGCZACD-INIZCTEOSA-N 431.928 2.360 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760695157 BMMSSKCDJSAVFV-MSVBSMQLSA-N 437.479 2.130 30 10 IEEE CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1762162645 FPSDPTOZRXGYIP-YLJYHZDGSA-N 428.585 2.411 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1766715856 XAAOGLQAZHKXHH-APWZRJJASA-N 446.577 2.007 30 10 IEEE CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1(C)C 1767526666 GXFJFKFMVBVHEZ-IBGZPJMESA-N 429.613 2.328 30 10 IEEE COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)c(OC)c1 1768467188 JPEWYGCIAFRBNK-CQSZACIVSA-N 436.472 2.142 30 10 IEEE COc1cccc(-n2c(C)nn(CCCC(=O)Nc3nc4n(c3C#N)CCCC4)c2=O)c1 1852584494 NNMOGJWNHSJOAX-UHFFFAOYSA-N 435.488 2.174 30 10 IEEE Cc1ccc([C@H]2[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC(=O)N2C)cc1 1852634807 TWQQYAXEWXNDHY-APWZRJJASA-N 439.541 2.342 30 10 IEEE COc1nc(C)c(Br)c(C)c1C(=O)N1CCN(c2nccc(C#N)n2)CC1 1852787487 YPSMUZZHBWURKK-UHFFFAOYSA-N 431.294 2.094 30 10 IEEE C=CCOc1cc(OCC=C)cc(C(=O)N2CCC[C@H](n3ccc(=O)n(C)c3=O)C2)c1 1852794787 FWMWERITAPSZSC-SFHVURJKSA-N 425.485 2.154 30 10 IEEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 1853749186 YXTQPSOBQZQKGI-MRXNPFEDSA-N 437.949 2.114 30 10 IEEE C=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1861843281 WCRWPERDYKSWHT-GOSISDBHSA-N 441.509 2.230 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866582278 RRSIONQENSXJLT-ICSRJNTNSA-N 425.510 2.049 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccccc2C)[nH]1 1871484546 MOAYFGCGPSJVJR-UHFFFAOYSA-N 439.545 2.053 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cs1 1889567852 MOJARDHJNIIBAQ-UHFFFAOYSA-N 425.436 2.435 30 10 IEEE COc1ccc(SCCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1891467060 NYNFTNFQPAPQSI-UHFFFAOYSA-N 445.629 2.436 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2010151308 PDWBHPOVQKQRCS-IKGGRYGDSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2067765134 UUVDNUKPJHCLHD-ZHCJQAHYSA-N 434.342 2.121 30 10 IEEE COC(=O)[C@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2124541641 VCLBIGIXVOIXKI-INIZCTEOSA-N 448.325 2.381 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(c3cc(Br)cnc3C#N)C2)nn1 2174716623 WMKUQGMHTPAFIO-UHFFFAOYSA-N 434.298 2.393 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224132355 WKJJMJLOYBUZDX-KRWDZBQOSA-N 433.358 2.311 30 10 IEEE Cc1nc(C(=O)N(C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243390430 VFUARVGSUCJNFN-UHFFFAOYSA-N 425.360 2.347 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247844020 VHHDKIRNRRZHPY-UHFFFAOYSA-N 439.343 2.067 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247908357 SHSSKFBWZUOPBT-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255530913 WRJRHERXSYGXPX-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC1 2255532472 MTNIWFLVZBOWCT-UHFFFAOYSA-N 431.342 2.464 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255631399 YIHLEFSOTNRNLW-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE C[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255879634 RYAZMOAMFJHFKY-AWEZNQCLSA-N 434.346 2.009 30 10 IEEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127244 QGKIQFDHRBZIPY-INIZCTEOSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)cn1 2267139259 DHJBVMKERLXKRL-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267139552 IBFJNKBWJZBHNR-DZGCQCFKSA-N 448.373 2.378 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)n1 2267149380 LOZOMWNKUDPZBI-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267176526 AVFTZDDGAMVLTL-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185459 VOGDGBQMYQSKKU-CABCVRRESA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CCC[C@@H]12 2267518336 DKCIKZIMSYXKPG-IVZQSRNASA-N 446.357 2.371 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2267584622 JIJLSOZTTGODHB-ROUUACIJSA-N 446.353 2.004 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268644150 NRCIPGQXGLDFMO-CABCVRRESA-N 447.341 2.344 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2302290905 VEWYZYUCAYAXFT-HRCADAONSA-N 442.387 2.491 30 10 IEEE C[C@H](C#CC(=O)N1CC[C@](COCc2ccccc2)(C(=O)O)C1)NC(=O)OC(C)(C)C 2302381646 YFQBFOBBYOWVIZ-HXOBKFHXSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH]nc1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2327382856 VFXUINLYGADSRX-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(Nc1ccc(Br)cc1C#N)C(=O)O 2347982726 CMYUCSOPMHNGGE-SUMWQHHRSA-N 426.267 2.480 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)c1 20293154 AOXYOGLEALATEA-SSDVNMTOSA-N 439.501 2.380 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC#CCOc2cccc3c2OC(C)(C)C3)cc1 90733336 LFMVRZRYKDISOX-UHFFFAOYSA-N 442.537 2.463 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425845 HBCNFYCJLAVHCM-IBGZPJMESA-N 428.441 2.353 30 10 IEEE COC[C@H](C)N/C(=N/N)Nc1ccc(I)cc1Br 302458704 WRFUDKAKHWOBLY-ZETCQYMHSA-N 427.084 2.320 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cc21 427880605 WXQBMWOGNXJTNK-UHFFFAOYSA-N 446.854 2.826 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)ccc1C 443317665 HLUCCYCEJUBXBT-UHFFFAOYSA-N 434.562 2.410 30 10 IEEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 460327429 LRMACCLYDZYJEC-HNNXBMFYSA-N 443.573 2.057 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(C)c1F 462447753 XWAZNYFXJADLNE-UHFFFAOYSA-N 437.518 2.009 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 468916866 HIWHNULGZRBMDQ-CQSZACIVSA-N 439.354 2.148 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 472745533 DQRXOQOUVGZHNF-UHFFFAOYSA-N 447.337 2.087 30 10 IEEE N#Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)N4CCc5ccccc54)CC3)C2=O)cc1 477098012 JDJPQWVTJWJUGL-JOCHJYFZSA-N 428.492 2.491 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)c1 485336736 SYFWUAFPDHULEU-UHFFFAOYSA-N 426.454 2.287 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 505673771 BGZJBYREYKNCID-UHFFFAOYSA-N 429.542 2.489 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 508831215 ABQGSRHONARAMM-OXQOHEQNSA-N 436.965 2.204 30 10 IEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508933663 YVSVQAQZPVKSMN-QGZVFWFLSA-N 436.520 2.192 30 10 IEEE Cc1nc(CN2CCC(CNC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)oc1C 520380552 AKNNOVHFEMCYIF-UHFFFAOYSA-N 437.548 2.302 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 523638858 IJNSKALPPMBOOH-LJQANCHMSA-N 444.944 2.323 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 525016208 JUYFSQAZHBJHCK-FUHWJXTLSA-N 431.464 2.473 30 10 IEEE CN(Cc1noc(CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1)C(=O)c1ccccc1 544977024 HWLPEGMJGOINJV-GOSISDBHSA-N 444.451 2.271 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCCCO3)CC2)nc1 549607000 NMEJHKMWRZTQCL-NRFANRHFSA-N 444.543 2.426 30 10 IEEE N#Cc1ccc(CSc2nnc(NC(=O)N3CCO[C@@H](C(=O)C4CC4)C3)s2)cc1 554406147 XTPAFVMFBPMJEM-OAHLLOKOSA-N 429.527 2.914 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 563781027 XLESDYTXSWPDIY-MOPGFXCFSA-N 447.561 2.147 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 564380450 YNPYZIUEGWFAEC-FQEVSTJZSA-N 429.521 2.286 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc(OC)c1OC 577736328 HTJOHLQXTBNJMQ-ZDUSSCGKSA-N 428.445 2.452 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)C2)nc1 585245156 HKCCHQDDQUXVDI-CQSZACIVSA-N 441.285 2.358 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2C1=O 588804240 MTINCYYMGUEIAO-UHFFFAOYSA-N 439.418 2.345 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)ccc1F 609220040 XSBDMRAZTLHYFS-UHFFFAOYSA-N 433.508 2.187 30 10 IEEE CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 727242343 YHWJCXZBEGQCCI-UHFFFAOYSA-N 434.524 2.391 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cscn2)c1 730144878 TULHIHGOMCVATF-SFHVURJKSA-N 441.582 2.324 30 10 IEEE C#CCN(C(=O)[C@H](CCOC)Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 741214109 VHOXIKRVYQHNAX-AEFFLSMTSA-N 442.375 2.293 30 10 IEEE N#C[C@@H]1C(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)=CC(=O)n2c1nc1ccccc12 744423647 KWHCFFQZULEQOG-RBUKOAKNSA-N 433.512 2.327 30 10 IEEE Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=NNC(=S)NCC(N)=O 766698453 CRJJUTRHCHTVQK-UHFFFAOYSA-N 426.477 2.395 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(C)oc3C)c2=O)cn1 767956989 AICIGBGVNKFJBL-UHFFFAOYSA-N 435.505 2.385 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 781391769 ISBNHYHIJVNMFJ-UHFFFAOYSA-N 437.471 2.425 30 10 IEEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)n[nH]1 784955605 HYCOSQMEWMZYKF-OAQYLSRUSA-N 443.511 2.052 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)O[C@H]3CCCN(c4cc(C#N)ccn4)C3)c2C)nn1 791978841 TXUFSNIMRRJUTC-KRWDZBQOSA-N 433.472 2.462 30 10 IEEE COc1ccc(C)cc1C1(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)CCOCC1 793935499 FJMAPIHDTZCLDV-UHFFFAOYSA-N 439.487 2.495 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 794112773 OAQVEFWFTVXFOJ-UHFFFAOYSA-N 429.502 2.215 30 10 IEEE CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 799837144 PENBREXFFFNWDL-UHFFFAOYSA-N 441.937 2.148 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 805231818 WWPCEQNCIFEOLE-LBPRGKRZSA-N 430.848 2.167 30 10 IEEE O=C(NCc1cccnc1N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1)[C@H](F)C(F)(F)F 810382404 CZPHNKVOOMBRQQ-WDEREUQCSA-N 448.314 2.147 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)CCCN1C(=O)OC(C)(C)C 816747359 JVFIMFFDYFXERH-KDLAUNOPSA-N 444.528 2.388 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 1125087701 OWZAOAYLHLQYOQ-CQSZACIVSA-N 440.518 2.433 30 10 IEEE CS(=O)(=O)N1CCC(CC(=O)Oc2ccc(C#N)cc2I)CC1 1128447755 WZUXYVYTMGJDHF-UHFFFAOYSA-N 448.282 2.130 30 10 IEEE C=CCC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCOCC1 1130902643 YVBKFJOBNBYIPK-MRXNPFEDSA-N 437.518 2.237 30 10 IEEE C[C@@H](CC(=O)NC1CCC2(CC1)CCN(C)CC2)/N=C1/NS(=O)(=O)c2ccccc21 1141427489 SKVGVUJKYYXFCE-INIZCTEOSA-N 432.590 2.275 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)cc1 1152621274 YKRUEPUFSJGPLY-UHFFFAOYSA-N 446.554 2.237 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(N2CCC2)CC1 1153262492 NTDGVQHGWCNHRD-GOSISDBHSA-N 432.590 2.371 30 10 IEEE O=C([C@H]1CC(=O)N(c2c(F)cccc2F)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161802168 KBLSFFWUBSCGND-ZDUSSCGKSA-N 443.406 2.222 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)COc1cccc(Br)c1C#N 1164047809 HRDHDRGPZKAGBL-CYBMUJFWSA-N 425.201 2.098 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)cc2n1 1178766366 XYIOAGMYSMVWSW-GOSISDBHSA-N 434.905 2.154 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)ccc21 1191952022 ICZSMHQJMSBUPS-UHFFFAOYSA-N 438.553 2.410 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1254482488 SWKUBNLNVRXOOF-FQEVSTJZSA-N 427.549 2.314 30 10 IEEE N#CC1(C(=O)NCC(=O)Nc2ccc(I)cc2)CCSCC1 1272367030 FTJNYNADIZAAOY-UHFFFAOYSA-N 429.283 2.383 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286336550 LPQBIORTYHNXMV-CTNGQTDRSA-N 432.528 2.495 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCOCC1 1286363697 XDVKXKPLALVKER-OAHLLOKOSA-N 435.370 2.084 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286373995 SXQIQWXXYKJVSW-NHCUHLMSSA-N 441.601 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)CN1CCOCC1 1286409070 MNVBFGRTKYEMQV-GOSISDBHSA-N 427.499 2.188 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 1286484706 VLQLEXJJBQPXDB-HKBQPEDESA-N 445.564 2.053 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(CCO)CCOCC(F)(F)F 1286541869 NVJVKWNZPGVJGI-GFCCVEGCSA-N 443.264 2.068 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1286649482 OILSBWYIXKVSEO-UHFFFAOYSA-N 435.525 2.188 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286702653 PTYVFHXNNJEEEO-KNQAVFIVSA-N 437.592 2.219 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286781872 CVXHXJQSNJDGON-GOSISDBHSA-N 436.476 2.231 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1286788852 IAPPAQOWULNAMB-UHFFFAOYSA-N 434.500 2.321 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](COC)C1 1286823542 WARRSXSQQFLXKF-QGZVFWFLSA-N 443.573 2.424 30 10 IEEE C=CCOc1ccccc1CN(C(=O)c1nnc(O)nc1O)c1ccc2c(c1)OCCO2 1293125333 IGTBIYAJKIPOOP-UHFFFAOYSA-N 436.424 2.466 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1295065276 KPNQMZRXWGIYHU-LJQANCHMSA-N 437.548 2.036 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1297738924 HDYHOUCHSVWPSM-SFHVURJKSA-N 438.598 2.321 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1300291222 SOQHNEFZVRXMFK-HZPDHXFCSA-N 432.546 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1300325255 WQHFKUBDHNMZDX-INIZCTEOSA-N 432.546 2.291 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(C)C 1300537177 ATZBBGDUKXWFSC-HXUWFJFHSA-N 440.569 2.336 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1300972708 PHZRLTSLDOPTOE-HNNXBMFYSA-N 437.541 2.183 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)cc2OC)C1 1301534930 GEGUPOIIPQIIPA-GOSISDBHSA-N 429.521 2.263 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1303641551 CRXMTTNJEMUAHL-OAHLLOKOSA-N 433.607 2.057 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)C1 1303940230 VVVFFEGDHZLHCT-BBTUJRGHSA-N 448.593 2.097 30 10 IEEE CC(C)CN(CCC#N)CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1307482058 AFROABRTYANOTA-UHFFFAOYSA-N 436.578 2.142 30 10 IEEE C#C[C@H](NC(=O)N1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1)C1CCOCC1 1313042434 GJADLTASDAPPKU-PMACEKPBSA-N 433.936 2.310 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1c(C)coc1C 1314393845 RWFQUCVICLMTQK-MRXNPFEDSA-N 436.520 2.450 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCC(O)CC2)cc1OC 1315382533 HBQJQAIEYZBAQT-QGZVFWFLSA-N 442.564 2.405 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 1321825878 AEEVLSDBLXELLH-VHEBQXMUSA-N 438.406 2.397 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1323419677 WORTWAGOQZRTNZ-SFHVURJKSA-N 435.546 2.043 30 10 IEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358924491 YBNKXXBGBLWRKK-SFHVURJKSA-N 438.532 2.368 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358961070 QZTGWEFOGGMSDZ-GOSISDBHSA-N 430.578 2.132 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cc(OC)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1358964095 TXFIJCGOOGFDSH-QGZVFWFLSA-N 439.541 2.072 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1359010303 LRCFFKBTUUGZRJ-JTSKRJEESA-N 433.553 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)CC)CC1 1359047966 ZWMKHWQXGPNYFX-XMMPIXPASA-N 439.560 2.292 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359151341 ROZDACYNCTXOIR-GOSISDBHSA-N 439.004 2.305 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359303193 HARDNSGVWWRRDG-OAHLLOKOSA-N 428.503 2.386 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1359323363 MWHLKLFJLBBINX-IRLDBZIGSA-N 439.608 2.071 30 10 IEEE CC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1360841918 MQKIKIVMVBRBGB-HZPDHXFCSA-N 432.525 2.115 30 10 IEEE CC(C)CN1CCO[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1440674836 JVESAMCFAFYLRN-SGIJDJSVSA-N 434.581 2.246 30 10 IEEE C#CCC[C@@H](O)CNC(=O)Cc1cc(Br)cc(I)c1 1448347133 KHJOTVIGYGLJFU-CYBMUJFWSA-N 436.087 2.487 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(-c2cccc(F)c2)c1C 1460603367 CAJGJROJFPKBPG-DHIUTWEWSA-N 437.475 2.028 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1463803243 CBLYTJNFWXFFJD-KRWDZBQOSA-N 426.542 2.484 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 1464920825 BDCFIRUKJUXZNZ-VZCXRCSSSA-N 443.866 2.410 30 10 IEEE CC(C)(C)c1cc(NC(=O)N(CCO)CCN2CCOCC2)n(-c2ccc(C#N)cc2)n1 1466515406 AWXJPZUXBMKDSS-UHFFFAOYSA-N 440.548 2.200 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c(=O)nc1O 1468542381 BBYCSVZBFXAMBY-UHFFFAOYSA-N 437.431 2.038 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 1469875428 YPCRIJIMFZUFRD-FQEVSTJZSA-N 428.510 2.073 30 10 IEEE N#Cc1cccc([C@H](NC(=O)Cn2cc(Br)c(O)nc2=O)C(F)(F)F)c1 1471421130 MBUBAWFYZUWUDT-LBPRGKRZSA-N 431.168 2.003 30 10 IEEE C#CCNC(=O)CN1CCCN(c2ncncc2-c2ccc(Br)cc2)CC1 1472687726 IIASUGBWFZLALU-UHFFFAOYSA-N 428.334 2.168 30 10 IEEE CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)N1CC[C@@H](N(C)C)C1 1475478403 HHWCCXPBRSZXAV-SJORKVTESA-N 426.970 2.067 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1479278125 YNRJEFQVSQERAA-FCHUYYIVSA-N 447.539 2.243 30 10 IEEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCC(F)F)CCO2 1494669872 UBIMDNSVEHJPKH-QVKFZJNVSA-N 433.459 2.483 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1496841341 WAFIDSDUYABTBV-QVKFZJNVSA-N 428.516 2.098 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1503638291 BQMJTAZHQHPKQB-GOSISDBHSA-N 429.546 2.257 30 10 IEEE COCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1504801530 RIUZDHYRRAQMSE-ZCNNSNEGSA-N 443.573 2.350 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)C1 1505314689 IRLATVHPPLSXHU-SJKOYZFVSA-N 425.390 2.275 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2(O)CCOCC2)c1 1507546723 HUPWTRNEKVMUHH-UHFFFAOYSA-N 425.533 2.173 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)c1 1507547532 LXBMTJHMYZHGDM-KRWDZBQOSA-N 443.573 2.067 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1507562083 VCSMPGIIZAACNP-DLBZAZTESA-N 430.553 2.478 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507623966 ZUVUXAYESHTWQP-WVBUVRCRSA-N 448.564 2.465 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507731664 OBEOADGZVMFVDV-MOPGFXCFSA-N 446.596 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1507761765 QQDXKJAIQCAKLD-PKTZIBPZSA-N 429.565 2.181 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1 1507764749 CTPLTUUABVXQBD-GOSISDBHSA-N 427.310 2.386 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1507773985 PSVVOIDGYQQGBB-OXQOHEQNSA-N 433.603 2.451 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1507979234 DJWJZRIZULULOX-UHFFFAOYSA-N 432.575 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508072366 JJUJAHQJVNSRLC-QGZVFWFLSA-N 435.532 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](C)C1 1508131598 NPRLJYPTTBCOCY-MRXNPFEDSA-N 432.550 2.153 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ncccc3F)CC2)nnc1C(C)(C)C 1508148767 JVRKWORCHYJBFK-UHFFFAOYSA-N 436.557 2.037 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1509950477 DFHUPCJHLDTIJK-QFBILLFUSA-N 435.532 2.138 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1509951934 HMUVXKSFYSCUCB-MRXNPFEDSA-N 435.488 2.197 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1510037976 ZCRSAWJZZOYQGF-GOSISDBHSA-N 441.543 2.360 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1510279594 CLNDWFQQUHQOFK-MPGHIAIKSA-N 442.495 2.201 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1518745508 GBHAWBPGRCGAPL-VQIMIIECSA-N 428.512 2.494 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1533829749 HZVVCLMMQHYLSU-UHFFFAOYSA-N 433.468 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 1537621603 MYWDCMASGOWTGY-QFIPXVFZSA-N 425.489 2.500 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1539049971 NXTBSMWCSLHJCK-FPOVZHCZSA-N 441.528 2.251 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539104504 JUNQPVIYPDATEC-MRXNPFEDSA-N 441.967 2.196 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539142490 QWPQOGYUFXSEJC-SBUREZEXSA-N 442.564 2.480 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cccc(N2CCOCC2)n1 1539182703 IRBJVFAJUHLCRN-UHFFFAOYSA-N 438.482 2.496 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539312531 SOHDXRZWNGZMJO-IBGZPJMESA-N 429.528 2.405 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1cnn(-c2ccccc2)c1 1539409356 YDLLXXWWEIAUSN-UHFFFAOYSA-N 430.516 2.193 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539517389 MZUXOSFUXSOMNZ-INIZCTEOSA-N 429.521 2.141 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1I 1540550689 XOAYDIKDJBMTGG-CQSZACIVSA-N 435.269 2.345 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1545692243 QOQRWURDPVJJFU-HQRMLTQVSA-N 449.559 2.084 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)Cc2c(C)cc(C#N)cc2C)c1 1545772387 YEYVZNLIXCOIDV-UHFFFAOYSA-N 430.530 2.323 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1555556774 HWAJKJPBIXQCEC-INIZCTEOSA-N 449.515 2.482 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457831 QUCFQJLGMXBLNC-RBUKOAKNSA-N 439.516 2.363 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC(NC(=O)OC(C)(C)C)C1 1556653371 FMHCJAYJWPXNGQ-UHFFFAOYSA-N 425.482 2.251 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC)C(C)C 1562143159 QNVUNLJGDXMVSL-SFHVURJKSA-N 436.578 2.333 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)c(N(C)C)cc2C#N)cc1 1584207405 FXAZZPVWBSUQRT-UHFFFAOYSA-N 443.529 2.150 30 10 IEEE CS(=O)(=O)c1ccc(OCCCCC(=O)N2CC(=O)Nc3ccc(C#N)cc32)cc1 1584358984 ZIKAOPKSEYKMHF-UHFFFAOYSA-N 427.482 2.496 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1587872350 GDDHMRGBBDPYMA-UHFFFAOYSA-N 440.573 2.235 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)N1CCSCC1 1588288639 FNBYCFIOUOJVQI-UHFFFAOYSA-N 447.630 2.346 30 10 IEEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1588302408 WOWPKQGDQQSJAK-UHFFFAOYSA-N 427.530 2.226 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cccn2)CC1 1588733571 WCOWCQIWLOWYON-UHFFFAOYSA-N 446.559 2.189 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589026565 HGDQUAHYTUPYRH-UHFFFAOYSA-N 447.008 2.175 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(CC(C)C)CCO1 1589234840 ZKYLAJLKVDOZRR-ZJSXRUAMSA-N 439.608 2.489 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1589449471 GJEWBAFYUVISNT-UHFFFAOYSA-N 440.346 2.127 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCOC 1589505759 OBAQTFVZWFVDNU-MJGOQNOKSA-N 434.562 2.412 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1589528385 GBGLVAUOSQZIDD-WIYYLYMNSA-N 441.580 2.355 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c1 1595144795 OSPMLXFOFDMRKJ-RBUKOAKNSA-N 432.542 2.038 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](COC)C1 1595497085 PKFWNQIEMQOLJO-WBVHZDCISA-N 445.589 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1595720742 BESKGNJNODOOCQ-AZUAARDMSA-N 441.532 2.089 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNc2ncccc2C(F)(F)F)c1 1596519465 RGALMHRWJGTFTH-UHFFFAOYSA-N 430.383 2.379 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC[C@]2(CCOC2)O1 1606957938 JZJCTVZAKDBZBP-KGVIQGDOSA-N 430.553 2.333 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1611297704 JXWXBRUDCZNNAI-PBHICJAKSA-N 434.504 2.163 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1619407908 UDVVEOFOGJIXTL-QURGRASLSA-N 436.516 2.393 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1619589875 KWASBAIWDRXLRY-MRXNPFEDSA-N 428.537 2.362 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C[C@H](C)O1 1619736564 DXTSJQXCZRQPQA-FXAWDEMLSA-N 440.548 2.219 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCn1cc([C@H]2CCOC2)cn1 1619980084 BWVQLRZYAYQQEM-MJGOQNOKSA-N 443.552 2.143 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1620356252 VDVLGBYLSFISCA-SJORKVTESA-N 442.486 2.175 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CN3CCN(c4ccc(C#N)nc4)CC3)C2)C1 1620559575 XDZQPGKSPPACBQ-NFBKMPQASA-N 427.549 2.491 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3nccn3C)C(C)(C)CO)ccc2c1=O 1627655390 IFTJHBBHGGIDGK-INIZCTEOSA-N 427.530 2.094 30 10 IEEE N#CCOc1cccc(CNC(=O)Cn2nc(Br)c(Br)n2)c1 1627820101 SVKSLOQYWHYAEO-UHFFFAOYSA-N 429.072 2.022 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)n1ncc(C#N)c1N 1630732025 CBECFTVJRLLEQN-QGZVFWFLSA-N 429.527 2.231 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1632793217 UCZGDGMPWFDILK-KRWDZBQOSA-N 442.988 2.179 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)CSc3ccc(S(N)(=O)=O)cc3)cn2)cc1 1636093315 LMMFLJJHNRHGDS-UHFFFAOYSA-N 427.511 2.181 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2cncn2c1 1642330722 FPZNFYYRPOMMOG-SFHVURJKSA-N 425.514 2.248 30 10 IEEE CCCOc1ccccc1C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1642903517 QRJPEJVYBWJHQP-HNNXBMFYSA-N 429.498 2.013 30 10 IEEE COc1ccc(C(=O)N2CCC(NC(=O)Nc3cnc(OC)c(C#N)c3)CC2)cc1OC 1664601753 BEXIHTAZORXRCF-UHFFFAOYSA-N 439.472 2.405 30 10 IEEE C=CCCCS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1671939055 JIRWCZYJMDEBFY-AWEZNQCLSA-N 434.299 2.060 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1678067142 CFMXUFDGMXFVCZ-INIZCTEOSA-N 427.592 2.193 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)c1ccc(F)cc1 1682345550 WYKQAKKJKKJKHQ-SFHVURJKSA-N 437.443 2.494 30 10 IEEE C#CCN(c1nnc(CC)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689992101 HJHPXNWZLUVKQI-QGZVFWFLSA-N 433.553 2.133 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)COc1ccccc1OC 1690043575 GCBRTWUPBQMIAN-MOPGFXCFSA-N 435.528 2.416 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccsc2)CC1 1690154435 ODAGFMYPUNUHPX-OALUTQOASA-N 443.573 2.078 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1690190292 QHQWREYLOUIAHJ-VGOFRKELSA-N 440.935 2.132 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1690411345 KKWFLTOBRMUEOQ-GOSISDBHSA-N 430.578 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2cccn2)CC1 1690724145 ITGZGFBHSLABHY-IBGZPJMESA-N 448.593 2.234 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1697775739 NYLJQFMDOMPSSR-IBGZPJMESA-N 441.511 2.139 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NCc1ccccc1 1705478505 COQMKIKYDFWGJV-CYFREDJKSA-N 439.560 2.483 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705565757 VXTHFLXQMOLVNO-AVRDEDQJSA-N 428.558 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1705575597 PSJSWAMGLBIBNE-HXUWFJFHSA-N 442.541 2.002 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OC)c1OC 1705580152 DVMJEEKIHKNRRT-UHFFFAOYSA-N 433.468 2.144 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(N(C)C)CCSC2)CC1 1705636854 AAWNINQJODJHAX-JOCHJYFZSA-N 428.581 2.277 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1705644243 JSQYDYCFGILSRW-ROUUACIJSA-N 429.565 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)cc2)CC1 1705648811 ZIGQIKIPGKXUQH-FQEVSTJZSA-N 437.544 2.195 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1705811643 HJSWVTAUWZOKHE-MRXNPFEDSA-N 436.557 2.320 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC)[C@H](C)C1 1705906942 UHUFNMCTSVYLSD-LJQANCHMSA-N 426.565 2.307 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705936996 FCVAQVLITFBOAA-PBHICJAKSA-N 439.607 2.238 30 10 IEEE CSc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)ccn1 1712765174 HOPZEUVDLMVJOH-CQSZACIVSA-N 449.606 2.184 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1722278172 PDTVYUVHSNFWHO-BEFAXECRSA-N 432.546 2.388 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCOCCS(C)(=O)=O 1722293640 SFRJKSROLCYXKN-INIZCTEOSA-N 443.529 2.119 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722370284 BFWVYOUOEYSAAA-UXHICEINSA-N 444.626 2.443 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722370908 FSEGHAONDZZBKR-ILZDJORESA-N 428.558 2.280 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2=CCCOC2)CC1 1722433055 JXODUBUHXPAASP-UHFFFAOYSA-N 431.338 2.138 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2cccn(CC)c2=O)CC1 1722440024 APUYNLSQIVVUEI-UHFFFAOYSA-N 444.583 2.439 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)CCC(C)C 1722466947 IVBXSOMDWDEENA-AHRSYUTCSA-N 425.599 2.068 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722623414 USNMGBWCZZPDFL-AUSIDOKSSA-N 447.580 2.113 30 10 IEEE Cc1ccccc1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1724789961 FDXSMMNCOWWTTG-DYESRHJHSA-N 446.577 2.406 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1730484143 IZBNXICVYUWKDH-LJQANCHMSA-N 436.495 2.226 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C)CC1 1730871683 VTSBOIDVMYMDBD-IRXDYDNUSA-N 440.552 2.179 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCOCC(F)F)cc1 1731185040 ZXSQDWMTNJPYIG-UHFFFAOYSA-N 426.418 2.486 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)C2CCC2)CCO1 1731189177 KMYGUMYYZOFQIE-MRXNPFEDSA-N 429.912 2.029 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(=O)(=O)CC 1740536918 OVNPUKKZBFSJIZ-INIZCTEOSA-N 441.561 2.123 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2([S@](C)=O)CCC2)CC1 1740696949 LRKNYCLTZIHYQF-PMERELPUSA-N 425.602 2.234 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOc2ncccc2F)CC1 1740697102 RJUMASLAHCVJJC-UHFFFAOYSA-N 438.482 2.376 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 1740752761 AJBYRMNCBOVTOK-LPHOPBHVSA-N 426.477 2.161 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1740777460 CFNCMZBRWUYHRP-INIZCTEOSA-N 433.578 2.341 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1740899960 KKZOBVJSQJUVCJ-QGZVFWFLSA-N 431.541 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1740992944 WEVRYQQWVMXOFY-LJQANCHMSA-N 441.557 2.423 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1741123374 AHGGUTHPPAKRJE-SNVBAGLBSA-N 446.865 2.466 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1741182559 IUAKWVZVAMIKJF-KDDVOAFDSA-N 439.520 2.051 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1COCCO1 1741195681 AGISRDJHSYRDMW-IBGZPJMESA-N 439.564 2.265 30 10 IEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1741690276 GTDCBGIBURLGPK-UHFFFAOYSA-N 439.564 2.174 30 10 IEEE CN(C)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1747532682 BPUBZYKPXAYEIT-UHFFFAOYSA-N 443.577 2.268 30 10 IEEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)ccc1OCCO 1748540634 BRYLELFCWSRRQS-LJQANCHMSA-N 441.532 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CC)OC 1748828802 MHTSJRNKCVBRHM-KRWDZBQOSA-N 428.562 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749122701 ZKHLHJWJWSVEME-UZKOGDIHSA-N 430.597 2.091 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1749212934 BKQLVWMTBJGVLE-INIZCTEOSA-N 438.525 2.385 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749223420 TVWQQILGNSZWIX-FQEVSTJZSA-N 426.565 2.400 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCCC1 1749828180 WGZKLJPQYRGVQX-UHFFFAOYSA-N 431.928 2.406 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1750340883 POUMACNZSGXXOL-AYOQOUSVSA-N 429.546 2.113 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc2[nH]ccc2c1)[C@H]1CCS(=O)(=O)C1 1760193117 UCOFILVBDDWJDB-IBGZPJMESA-N 441.557 2.165 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1760235550 QECQSCOTQOLHJY-GHTZIAJQSA-N 425.533 2.097 30 10 IEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)C)CC1 1760259986 JYHNDCKACXIGKR-UHFFFAOYSA-N 429.594 2.040 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(C)(C)O)CC1 1760273129 JHRGKPNXSHMUPX-RTBURBONSA-N 445.608 2.324 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc32)CC1 1760382353 OILSQCBWXYAXCX-SFHVURJKSA-N 444.605 2.498 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760450052 CDBOERUEIICSLO-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760527592 BMMNNTDSLWCCLW-WOJBJXKFSA-N 441.532 2.316 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1760527997 OWRAOWYCBUGXEQ-LJQANCHMSA-N 442.539 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1760558034 DIVBOBQPVGXAGP-UHFFFAOYSA-N 430.521 2.431 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H](O)C1 1760690216 BCKZIOMPFIQXPM-IKGGRYGDSA-N 445.593 2.385 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1766686880 GTTFLLNSVKHCCG-OALUTQOASA-N 429.546 2.399 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)CC1 1768173356 DBBPRDYRUSNMBO-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@@H]2CCOC2)C1 1770729411 ZANNJKQAUCHZOA-YLJYHZDGSA-N 430.440 2.491 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCc2ccco2)CCO1 1770748350 ODMWAJFWNLHUIU-HNNXBMFYSA-N 444.854 2.376 30 10 IEEE C=CCN1C[C@@H](C(=O)NC[C@H](OC)c2ccccc2I)CC1=O 1850739619 QIRSHMGMAWYDNQ-WFASDCNBSA-N 428.270 2.129 30 10 IEEE N#Cc1cnn2c(NC(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)c(-c3ccccc3)cnc12 1851814554 YROIFPJPCJVPGA-MRXNPFEDSA-N 430.468 2.234 30 10 IEEE Cc1ccc(CN2C(=O)N[C@@]3(CCN(CCNC(=O)Nc4ccc(C#N)cc4)C3)C2=O)cc1 1852259261 VXDAUZGLSXPIPP-XMMPIXPASA-N 446.511 2.185 30 10 IEEE C=CCN(C(=O)c1nnn(Cc2ccc(Br)cc2)c1C)[C@H]1CCN(C)C1=O 1852351013 HPUWZXRCZYJSNG-INIZCTEOSA-N 432.322 2.256 30 10 IEEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 1856095760 NCAIZUXKZGWWAS-IAGOWNOFSA-N 439.603 2.032 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)C1(C)C 1856395359 OUBWEXNJXWXTTQ-SFHVURJKSA-N 433.574 2.031 30 10 IEEE C=CCNC(=O)[C@@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861509597 WDYGNRBBISRUOG-GOSISDBHSA-N 449.463 2.022 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862676235 DPYOQGPSWNPWIT-SFHVURJKSA-N 427.388 2.448 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc(Br)c(O)c(OC)c1 1864292167 FOYULQQAGYWABR-CQSZACIVSA-N 449.305 2.202 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866730420 VORSCSQEAQEQOB-UXHICEINSA-N 435.480 2.329 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 1870156304 GKQMYTAYMSJOPF-UHFFFAOYSA-N 439.344 2.225 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 1870156349 ITFTZIWVNADDIL-UHFFFAOYSA-N 438.831 2.165 30 10 IEEE COc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Cl)c1O 1873529761 YQRBQUDPMDEYAF-PODRTGRWSA-N 447.300 2.070 30 10 IEEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(NCCN3CCOCC3)ncnc21 1875227665 IXAKSHKOQHBJKA-HDICACEKSA-N 426.565 2.480 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2023018485 QSESAOWKKHKECI-WMZHIEFXSA-N 428.533 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC23CC(C#N)(CO2)C3)CCN(Cc2ccccc2)C1 2060820514 GGZXEALAEGXRBX-VHYCJAOWSA-N 440.544 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C1(O)CCC1 2141666204 VMTBOVSPAOEORU-MRXNPFEDSA-N 447.341 2.128 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)C1 2247565980 ZQDSYUHRAHZRDU-GWMLXNDSSA-N 431.455 2.351 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247832405 OQFDWXOHUJHXBK-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)C2 2255853942 WPXHSJWPNWETSN-BRLLKYFNSA-N 434.342 2.030 30 10 IEEE Cc1cnc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2259134545 YVQURISLHRGPMZ-UHFFFAOYSA-N 433.358 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267000863 CZRNHPXNHJUZNE-CRAIPNDOSA-N 443.353 2.462 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267106832 FTEAZRSBQTZFOI-FQEVSTJZSA-N 435.377 2.190 30 10 IEEE Cn1nc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267138009 RQSMUAYFVMPTNE-AZUAARDMSA-N 436.365 2.066 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H](C)N1C(=O)OC(C)(C)C 2267183384 NKIAYOMBCVKDRI-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267196275 OKQLEJVZSSPWEW-VNQPRFMTSA-N 446.357 2.084 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267487982 FUUYIZANZDUBMU-IEBWSBKVSA-N 438.381 2.217 30 10 IEEE C[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]1CNC(=O)OC(C)(C)C 2267519632 JOISZCPSIMPIRK-GOEBONIOSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cnn(Cc2ccccc2)c1 2267529584 NALIYMFWTMCHKV-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267552764 VRCAGZFGRQBMEV-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CC[C@]1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267881303 YUSTXOSWZXLSDG-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268722861 JNBMGOUHPMAAFF-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3COCC3(F)F)cc2Cl)OC1(C)C 2282306267 LDHPCZZPHFIBOR-VIFPVBQESA-N 429.703 2.013 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c(C)c1 2296947668 BRLFIYYZQUXWEU-OAQYLSRUSA-N 437.496 2.153 30 10 IEEE Cn1nc(I)cc1[C@@H](O)[C@H](N)C#Cc1ccc(Br)cc1 2360934407 QYQARQQKNPGOTN-RISCZKNCSA-N 446.086 2.200 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(CN2CCOCC2)cc1 25071716 KGJIQSLHPKYCNS-UHFFFAOYSA-N 432.528 2.299 30 10 IEEE CC(C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 28961563 IBRPSKQIHSKDRD-HSZRJFAPSA-N 440.569 2.378 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)C/C(N)=N/O)cc1Br 155815299 ALJYIXRYFMECFK-ZETCQYMHSA-N 429.134 2.323 30 10 IEEE CC(=O)Nc1ccc(C2=C(N3CCN(C)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170052790 FVOACRZPNOBLIF-UHFFFAOYSA-N 429.480 2.049 30 10 IEEE CC(=O)OCC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 301054737 HYRKAAMZBDSJFJ-KFKBIGFNSA-N 434.504 2.322 30 10 IEEE Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 440193319 MGWQLHADNUADTA-SFHVURJKSA-N 437.891 2.823 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)ccc1C#N 443954220 BQJFVTHZUUJDGH-UHFFFAOYSA-N 433.917 2.432 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c(C#N)cn1CCOC 460134138 MPQGABZYQSISBZ-CYBMUJFWSA-N 430.509 2.286 30 10 IEEE C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1n1ccnc1 469383063 DSAUDLJFNNRTPB-DYESRHJHSA-N 441.557 2.265 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1cccc(N2CCOCC2)n1 478887448 WCWVUHXUMNFFSB-UHFFFAOYSA-N 426.420 2.287 30 10 IEEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 483221363 ZPDAFRUUJILVNO-JEVOJNTISA-N 430.505 2.395 30 10 IEEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488888319 VQIJEXLTVVFXJN-AWEZNQCLSA-N 434.468 2.170 30 10 IEEE CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccc(OC)cc1 503645920 XWEQYAHKKIVTMD-NFBKMPQASA-N 440.544 2.359 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 504033160 AKWXGEBCDYWSTR-IBGZPJMESA-N 426.561 2.289 30 10 IEEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 506031767 NBBYGBNTNHODGP-UHFFFAOYSA-N 440.569 2.298 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N(C)C)CC1 508489001 LYLUHJQXZWNIRT-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508876705 YMFLYEQNCPJLIP-QGZVFWFLSA-N 437.504 2.305 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 522194456 RMYRVFKVKRYSAF-MJGOQNOKSA-N 441.557 2.326 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccc(I)cc2)CC1 532901831 IZQIYFOUNOLJOO-UHFFFAOYSA-N 447.280 2.319 30 10 IEEE COc1ccc(Br)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)c1 533039583 GKEXIZQQLLYOOO-UHFFFAOYSA-N 433.327 2.090 30 10 IEEE CC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCN1CC(F)F 537288325 SPUBTUJQOPHXNT-IAGOWNOFSA-N 425.549 2.118 30 10 IEEE Cc1ccc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)cc1S(=O)(=O)NCC#N 540472716 KCVIOGBMKXDCEA-QGZVFWFLSA-N 444.532 2.455 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cc2Cl)cc1 542598887 XCDZKJKGXKYYQV-QGZVFWFLSA-N 440.887 2.485 30 10 IEEE Cc1nc(C(=O)NC[C@](C)(NC(=O)c2ccc(C#N)c(C)n2)C(F)(F)F)ccc1C#N 556478885 QNAXUWNYMSDTJI-IBGZPJMESA-N 430.390 2.318 30 10 IEEE COc1cc(CNCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)ccc1C#N 567458940 BEUPINXAKOUYSJ-UHFFFAOYSA-N 425.485 2.103 30 10 IEEE Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 585488617 GOVJVCKYFWOZCO-UHFFFAOYSA-N 435.513 2.306 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 586298533 GABRAKDCVVUMLN-SSEXGKCCSA-N 441.534 2.482 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 590914396 VAZNBGDJTSBVLW-QGZVFWFLSA-N 445.972 2.017 30 10 IEEE N#C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 602022381 JZQSVDZCIZOTGT-SFHVURJKSA-N 447.488 2.427 30 10 IEEE C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 603745778 GPNFMOMIRWQZFG-INIZCTEOSA-N 429.546 2.040 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NCC3CCN(C(=O)c4ccccc4)CC3)CC2)c1 610027054 NGJPEMCINVNFII-UHFFFAOYSA-N 432.528 2.337 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@@H](O)C[C@@H](O)C2)nnc1-c1ccc(Cl)cc1Cl 674803889 ACBFKRUTXMQFQC-BETUJISGSA-N 443.356 2.484 30 10 IEEE COc1ccc([C@@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N2CCCCC2)cc1 732438666 ANHCKOGKPSPTSQ-XKXPVHLMSA-N 441.532 2.048 30 10 IEEE N#C[C@@H]1CN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CCN1C1CC1 732650564 XJKDNHNWFRKXJA-OAHLLOKOSA-N 445.317 2.024 30 10 IEEE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 746200970 FUWSYXALMDCNGM-LSJZCYCUSA-N 439.516 2.037 30 10 IEEE CN1C(=O)C[C@H](NC(=O)NCCNc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 754842471 RNVSBRWEMDVQIL-QFBILLFUSA-N 430.871 2.429 30 10 IEEE CO[C@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 757470630 KLOXEGIJKPDBBD-UNMCSNQZSA-N 448.475 2.087 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CCC1 771073520 BKMUHKCUKPMQAJ-CYBMUJFWSA-N 430.452 2.457 30 10 IEEE COc1cccc2c1nc(NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)n2C 771659583 AHHXWWUZDCIBHU-UHFFFAOYSA-N 427.486 2.039 30 10 IEEE C#CCN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 772149557 PWBDEQSDTKYBTE-MRXNPFEDSA-N 426.332 2.451 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc[nH]n1 772541818 SWKZAEPXCMFEHQ-INIZCTEOSA-N 428.493 2.199 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781648624 IHOGUESVLTVROS-UHFFFAOYSA-N 443.569 2.085 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 787057405 WUHJZJUXCDKVBF-QUCCMNQESA-N 434.452 2.277 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)n1 790103958 DFUCVJSGEYHLCS-UHFFFAOYSA-N 441.513 2.344 30 10 IEEE CON=Cc1ccc(C(=O)NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 792083945 FKQNSIVZHRTYTO-UHFFFAOYSA-N 425.507 2.126 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 806732506 QZAQGQFKYXUKTO-KRWDZBQOSA-N 430.505 2.053 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)c2ccnc(C(F)(F)F)c2)cc1 808505257 WLVPIQGJLBQAFW-UHFFFAOYSA-N 426.372 2.313 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 809917173 GWAHVMJAVXLZIL-MSOLQXFVSA-N 448.568 2.077 30 10 IEEE O=C(NCc1cccnc1N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1)[C@@H](F)C(F)(F)F 810382402 CZPHNKVOOMBRQQ-MNOVXSKESA-N 448.314 2.147 30 10 IEEE COc1ccccc1[C@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 915094916 KTJUUOLUNDFFEB-GOSISDBHSA-N 445.541 2.144 30 10 IEEE CCCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2C1=O 916178606 DRSIEEONGZDXJG-UHFFFAOYSA-N 425.466 2.214 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)Nc1cccc([N+](=O)[O-])c1 1084100182 KQXWAZNWKFOWPM-UHFFFAOYSA-N 442.461 2.173 30 10 IEEE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)NC2CC2)n[nH]1 1084145460 DVDTXPDUOWBCLW-UHFFFAOYSA-N 425.312 2.393 30 10 IEEE C=CCn1cc(C=NNc2nc(SCCC(=O)NCc3ccccc3OC)n[nH]2)cn1 1084299648 YWLGFNKQTBTLTH-UHFFFAOYSA-N 440.533 2.440 30 10 IEEE N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)c1cccc(Br)c1 1127601297 OGMDRNLUYFCTMP-AWEZNQCLSA-N 428.206 2.328 30 10 IEEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCCC1 1131110569 FPWXAYJZJXMUEI-UHFFFAOYSA-N 447.557 2.449 30 10 IEEE CN(CCN(Cc1ccccc1)C(=O)CCn1cc(C#N)c(O)nc1=O)Cc1ccccc1 1148324848 BLRCLGOLRUUORN-UHFFFAOYSA-N 445.523 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3cccc(C#CCO)c3)cn2)CC1 1154465955 PHBBTCOOVDPJER-UHFFFAOYSA-N 437.500 2.130 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cc2c(s1)CCCC2 1157768473 PXKUJYQQPCFWBV-ZDUSSCGKSA-N 431.539 2.164 30 10 IEEE C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1159283817 AVJORCGKTOHSNZ-QFIPXVFZSA-N 440.525 2.295 30 10 IEEE O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161802267 OZQDABKKRRVZCF-CQSZACIVSA-N 425.416 2.083 30 10 IEEE C#CCCOc1ccc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1162634093 AGVWOISNEHEUNF-UHFFFAOYSA-N 426.538 2.249 30 10 IEEE Cc1cc2[nH]nc(NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)c2c(=O)n1C 1162767797 BLDYCFAJXQNLBZ-UHFFFAOYSA-N 441.289 2.279 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@H](CO)[C@@H](CCO)C2)nnc1-c1ccc(Cl)cc1 1181243967 ZEHNWIMOQYFSML-JKSUJKDBSA-N 436.965 2.326 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)c1 1213448911 ZZTRKDICSLZFFJ-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1248375557 MNOHXIWDNCYIBM-FGZHOGPDSA-N 429.480 2.314 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)NCc3nc(C#N)cs3)C2)cn1 1251296300 RTQQPLAMZQEHQU-KGLIPLIRSA-N 430.534 2.405 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1251454527 CKEYKBPDLFFMPM-INIZCTEOSA-N 426.452 2.047 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1264289928 MCQNTVNNNUUFGS-UHFFFAOYSA-N 431.514 2.230 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1286276530 XTLBKRCHIVYWEU-HUUCEWRRSA-N 428.518 2.050 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286387594 SQPQBPYUJKXJNZ-VGOFRKELSA-N 444.557 2.150 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnnn1C 1286437723 LAVVDCQVUWIWRH-UHFFFAOYSA-N 430.310 2.353 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286790153 CJEZCLGNMJUSDB-OPAMFIHVSA-N 445.951 2.209 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN(C(=O)C4CC4)CC3)C2)C1 1290542534 GGIWORBIRONBAN-BNGSBABLSA-N 430.549 2.290 30 10 IEEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1294269127 FZILNGUREVTKQO-UHFFFAOYSA-N 430.516 2.437 30 10 IEEE C[C@H](CONC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)NC(=O)OC(C)(C)C 1295155896 YGSAKGSXEHQEEI-CQSZACIVSA-N 425.507 2.339 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2Cl)CC1 1300682769 QXIUPNHWZITVGO-UHFFFAOYSA-N 435.919 2.382 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1300855070 CGMGGMYOJKIGPJ-RBUKOAKNSA-N 440.548 2.219 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301152139 UVVFSTFKCHOHSQ-ROUUACIJSA-N 437.610 2.135 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1301239215 LELWEVCYNASFPQ-UHFFFAOYSA-N 426.521 2.066 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1301584846 FIEDMIACJGRNRU-GOSISDBHSA-N 445.589 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301587776 TUEDVKBNFNKATN-QAPCUYQASA-N 438.981 2.330 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 1309603200 DDLQNIGZLZDKRF-GFCCVEGCSA-N 447.460 2.456 30 10 IEEE CN(CC1CCOCC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314816885 JNZJXWJKOLMZHL-VZCXRCSSSA-N 428.537 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1ccccc1F 1358872129 OUVBSECOCIDKKV-HRCADAONSA-N 437.541 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1358872711 XTYHYENBGNOTBC-STQMWFEESA-N 434.547 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(CC)CC 1358885712 PGONQJIGQORGAD-DLBZAZTESA-N 431.610 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1358887858 CXKPVBBEJOGPOF-YDZRNGNQSA-N 447.580 2.390 30 10 IEEE C#CCCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358917708 YYVUPMFJJZNSIY-XUZZJYLKSA-N 445.608 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1Cc1cccnc1N1CCOCC1 1358974437 DTQQOJWABSDYSO-UHFFFAOYSA-N 430.487 2.437 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)cc1 1358977278 IVXFNZKJBIRZNG-QGZVFWFLSA-N 431.418 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H]2C)CC1 1359047118 RLUZNLFGVBBBEX-YLJYHZDGSA-N 432.528 2.351 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCOc3ccccc32)CC1 1359047927 YVJPXBLFUJOLJH-LJQANCHMSA-N 437.544 2.347 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1359064516 UUCHRQSFDYSINA-WHSLLNHNSA-N 449.552 2.487 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1359132963 IPPDPTMKOWHSRY-QZTJIDSGSA-N 426.583 2.026 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1359189275 FLFWMMIEYCCSKX-PMPSAXMXSA-N 429.562 2.008 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359226006 SXWYZXBFVJVNER-UHFFFAOYSA-N 448.593 2.101 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1359263304 XOWLDLRCNDGOTE-PKOBYXMFSA-N 444.605 2.452 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)CC1 1451525797 FXYAVWDEDGVQNY-VQTJNVASSA-N 425.529 2.364 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)CC1 1457410551 YBXREWRJOHTTKP-INIZCTEOSA-N 447.923 2.291 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](OC)[C@H](C)C3)nnc12 1457809775 HHTOZLWPVWCCOM-PBHICJAKSA-N 427.530 2.206 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 1463128937 ANULGLDJCMMZAL-FQEVSTJZSA-N 429.498 2.015 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1 1468955000 HDRHOKFSWWKHDR-JOCHJYFZSA-N 439.493 2.129 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470755180 YMCRTHGMQAZAHQ-UHFFFAOYSA-N 426.542 2.177 30 10 IEEE CC(C)Cn1c(SCC#CCN2C(=O)c3ccccc3C2=O)nnc1N1CCOCC1 1472957433 HJSSENKIKTUJKW-UHFFFAOYSA-N 439.541 2.162 30 10 IEEE COc1ccccc1Oc1ccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1477889280 HNXZNMFEIOMNID-UHFFFAOYSA-N 435.440 2.121 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)c1 1492547674 GRGKNESWAWGRAI-GOSISDBHSA-N 442.520 2.419 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1503578921 IAZVZCVNMQUBQS-UHFFFAOYSA-N 434.573 2.334 30 10 IEEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCCC1 1504044437 FXAXDIGGDJJUJD-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE CON(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1505092425 OZFABMMWLVWXMD-JPWUFHEYSA-N 430.440 2.081 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)C1CC1 1507542972 TXIMOWOOLAAWQT-CJFMBICVSA-N 436.604 2.262 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507595220 NUOBCDYFVCJMRS-FQEVSTJZSA-N 425.533 2.174 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1507604530 KPNXGXJJNSUEBM-DVECYGJZSA-N 437.544 2.441 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)on2)CC1 1507717461 DQRKUKWKPNSXOS-UHFFFAOYSA-N 430.310 2.136 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1507731221 DDHFJWMMAHSTHW-WOJBJXKFSA-N 446.596 2.088 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507808699 HMWSFJGMWWPDDU-IFMALSPDSA-N 443.596 2.242 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)COC)CC1 1507859232 YVMHVWWTXYTZLO-UHFFFAOYSA-N 425.320 2.477 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1508118033 QIGYMOMDHLZWIR-VXKWHMMOSA-N 436.560 2.445 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508159444 UVFMASCLLKERJJ-OAHLLOKOSA-N 436.559 2.216 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1514135824 CJIJYCZEUHZXNY-RTBURBONSA-N 429.546 2.399 30 10 IEEE CCCN(CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1514686028 GQSQVNRHCKXXEC-HNNXBMFYSA-N 436.358 2.496 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1517227597 VHXSRDXWWDJVQN-UHFFFAOYSA-N 440.458 2.451 30 10 IEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1519529273 RYPOVDAAADKFAN-OAHLLOKOSA-N 439.488 2.255 30 10 IEEE C=CCn1cc(C(=O)N(CCOC)C2CCN(C(=O)OCc3ccccc3)CC2)nn1 1530676255 VUXSUPKOZMWLLL-UHFFFAOYSA-N 427.505 2.354 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCN3Cc3ccccc3)C2=O)cc1 1533600401 YYZPEKVQFMNZOE-NHCUHLMSSA-N 431.496 2.154 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1539012134 IZGSIJKMXLPVHH-MSOLQXFVSA-N 435.569 2.250 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC(=O)N(C)C)c1 1539043935 XBOSVDKLTQTPGD-LJQANCHMSA-N 438.532 2.054 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539210840 GTVPAXGTQBSCHQ-IBGZPJMESA-N 439.516 2.349 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCO[C@@H]1CCOC1 1539232727 NFKZTGNXWUIJSO-OAQYLSRUSA-N 435.528 2.416 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(-n2cccn2)c1 1539378343 YHGMAAUXTOPULS-UHFFFAOYSA-N 446.540 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCOC2)CC1 1539475274 AEXIHOPEWLRIDK-SFHVURJKSA-N 437.544 2.346 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(O[C@@H]4CC4(F)F)cc3)CC2)cc1 1540647639 DKNPWHPAPFKKHT-LJQANCHMSA-N 447.463 2.491 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540881851 UQAFRNQWIXFEMZ-PKOBYXMFSA-N 432.546 2.366 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2COCCO2)C1 1540887549 YWKUQOHMXWJKGJ-ROUUACIJSA-N 430.505 2.159 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1540887618 AJIPFKWFDHVJBS-VQTJNVASSA-N 426.565 2.478 30 10 IEEE CC(C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541371491 ZZYRIYPWMIJZAS-DMEQXSTQSA-N 426.477 2.099 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(F)cc2)CCOC1 1541733786 VZPKJVODQFKCPO-DENIHFKCSA-N 429.496 2.429 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1541803031 BMJNEWXUVILKMT-QEEYODRMSA-N 449.602 2.468 30 10 IEEE C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 1543462452 MTTDWVSVXLNGDK-HKUYNNGSSA-N 432.542 2.170 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@@H]1C 1555555589 FCMHHUFRXAVAPY-MAUKXSAKSA-N 432.550 2.143 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1555620883 VXJJCFOELKJDMN-MEFWESNSSA-N 446.552 2.011 30 10 IEEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC[C@@H]2CCOC2)CCO1 1555995371 PBZSMKJRYLDUDS-SFTDATJTSA-N 425.533 2.235 30 10 IEEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccc(C#N)c(OC)c1 1556504750 KOGZULKAMMQUGX-MAUKXSAKSA-N 430.549 2.409 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 1557341565 WHCDRGKTCRZYJI-QVKFZJNVSA-N 447.944 2.389 30 10 IEEE C=CC[C@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1561460708 WGYYVHSGYCKJGU-IBGZPJMESA-N 438.546 2.462 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)CC1 1563346271 SZYIUOIRKPEQSE-UHFFFAOYSA-N 437.525 2.452 30 10 IEEE N#Cc1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)ccc1OC(F)(F)F 1568119389 COXQJYCNNSREKZ-CQSZACIVSA-N 438.337 2.208 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3cc(C#N)ccc32)o1 1583640607 DWJLNUQOFYMAOC-KRWDZBQOSA-N 443.481 2.070 30 10 IEEE C#CCN(c1nnc(COCC)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588074095 IPABIGZGDZYRSC-IPMKNSEASA-N 438.594 2.037 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1588659298 HDCFTXMHUYIBAS-UHFFFAOYSA-N 442.527 2.492 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1589068364 ASTUIPWFLSDMBM-KRWDZBQOSA-N 432.619 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1595798669 RYXQWFUTNJDRRJ-OALUTQOASA-N 437.610 2.185 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc1 1596952314 BEQOCDWTJRLPJA-UHFFFAOYSA-N 426.477 2.238 30 10 IEEE CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1606972409 UBVZZUPZWKUMHG-NJYVYQBISA-N 437.544 2.485 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1611293159 WGONDRGAGFOVLX-BQOWYSNXSA-N 440.895 2.258 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1620054208 FYLBADIMXAFLGO-QZTJIDSGSA-N 433.459 2.483 30 10 IEEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)CCC1 1620149410 DKRIOZAEXXJJOO-UHFFFAOYSA-N 427.530 2.462 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1 1621623153 CFUGBVAJLSRLEG-UHFFFAOYSA-N 438.509 2.233 30 10 IEEE C#CCN(CC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 1622497582 KYHRDBOEYHCFSU-HNNXBMFYSA-N 430.423 2.432 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 1628553938 FKSLHPFKBFNLNI-INIZCTEOSA-N 433.461 2.172 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCC2CCN(CC#N)CC2)C1 1629083093 WDOBUZKZRCCMPS-REWPJTCUSA-N 428.533 2.154 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2cc(Cl)ccc2OC)ccc1F 1636532579 FPLOSBWRPHGUOR-INIZCTEOSA-N 442.896 2.415 30 10 IEEE Cc1nc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc2n1[C@H](C)CO 1636582172 ANIZHRFHDMUHSR-ZIAGYGMSSA-N 441.513 2.075 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)C2)nc1 1638906442 SLEQNWIQSIJWHJ-INZIPBBXSA-N 440.525 2.325 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](C(F)F)CC3)nnc12 1638984091 XGWRDCISXNYOAQ-HNNXBMFYSA-N 449.483 2.205 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C1CCN(C)CC1 1639165290 UHYODKXUZWNPCA-UHFFFAOYSA-N 441.553 2.040 30 10 IEEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 1641041252 UMIUXNNHRNYVJX-UHFFFAOYSA-N 432.586 2.308 30 10 IEEE C#CCONC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1641276468 QXRWYHIAOZFZDA-UHFFFAOYSA-N 440.521 2.293 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC1 1644431971 MEVLREYFYLKRSX-UHIVUOJYSA-N 432.609 2.437 30 10 IEEE N#C[C@]12CN(C(=O)CCOc3ccc(Cl)cc3Br)C[C@H]1CS(=O)(=O)C2 1645991080 KMCCELAQMGEAEB-MEDUHNTESA-N 447.738 2.268 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1650672059 FOLOPDGQIXFUGY-IKGUUIFCSA-N 431.414 2.127 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)C2)nc1 1652331982 MLIODUTYMGXGIF-PDOICOKGSA-N 428.562 2.082 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(CN3CCNC3=O)CC2)C1 1652915909 CMUKEWKMWRIBGI-UHFFFAOYSA-N 446.349 2.021 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1654706376 FYVGCORGPLYNBR-CYBMUJFWSA-N 448.463 2.176 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)C[C@@H](O)c3cccc(C#N)c3)CC2)C1 1654982318 ZQTFMZBORMMZFG-XMSQKQJNSA-N 426.561 2.021 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1Br 1666467150 FVVUXJUMFISVNI-CYBMUJFWSA-N 426.336 2.248 30 10 IEEE C#C[C@@H](CO)NC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1667124376 SCQIHOJHKGPYTP-ZDUSSCGKSA-N 435.889 2.111 30 10 IEEE C#C[C@@H](NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 1674031631 YXXXJSXDJLMIQD-KZNAEPCWSA-N 448.273 2.425 30 10 IEEE N#C[C@]12CN(C(=O)NCc3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1674826649 SCHXYSGFCSGLGT-SIKLNZKXSA-N 425.510 2.345 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CC2)c(Cl)c1 1684248052 SRABHXPSCAYMJJ-KRWDZBQOSA-N 430.940 2.333 30 10 IEEE CN(Cc1ccccc1)C1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCOCC1 1685089712 OAJBFWTUPBDUBH-UHFFFAOYSA-N 448.571 2.466 30 10 IEEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCc3c(CC#N)cccc3C2)cc1 1686106214 RGSDGLCNNQGWON-UHFFFAOYSA-N 427.526 2.441 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1689916509 LYDMDAQSIQJIHS-PKOBYXMFSA-N 427.574 2.435 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C 1690081498 MPZCSKYBJPBXGX-UHFFFAOYSA-N 428.562 2.189 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(C3OCCO3)c2)n1 1690108179 RLJRBAHDPNAMBY-UHFFFAOYSA-N 436.516 2.163 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[C@@H]2CCOC2)CC1 1690141712 AOCCKVIXFLOKND-GOSISDBHSA-N 437.544 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC2CCOCC2)CC1 1690146815 XVGWOQZXKLYNCB-HXUWFJFHSA-N 429.565 2.302 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1690485544 WFOIMQUWDKBUMR-INIZCTEOSA-N 425.580 2.275 30 10 IEEE Cc1nc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 1693370060 JZJBLWPQYBJELA-FXAWDEMLSA-N 432.550 2.055 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1693876112 HHXPGHVWOWXOFY-NBQZKYEYSA-N 449.964 2.492 30 10 IEEE COCCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1697910196 GQEFMQWKHZELAU-HNNXBMFYSA-N 426.587 2.081 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(F)(F)F)CCO1 1698493500 MZFIYGKDYOWUGI-CQSZACIVSA-N 439.394 2.372 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N1CCCCC1 1705544598 WTKZHSVEAQKVCP-UHFFFAOYSA-N 441.532 2.443 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCn1cncn1 1705575487 MALYYSCGDJMWGQ-UHFFFAOYSA-N 428.269 2.211 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)C(C)C)CC1 1705642776 HATMZBPVWCIEAY-QHCPKHFHSA-N 427.549 2.028 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(C)C(C)C)CC1 1705648067 QPKHXHHWRLXQQG-UHFFFAOYSA-N 437.592 2.345 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705738588 CHPOOQUBYVHTLV-JOCHJYFZSA-N 440.592 2.405 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1C 1706982135 VPMQZXUAZOVOSR-HAGHYFMRSA-N 441.532 2.304 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1711073685 DAJANDXAYSVTRY-KRWDZBQOSA-N 440.504 2.271 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1712166920 BNLUHWMKRGPAOX-UGKGYDQZSA-N 428.512 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1722277859 BIKXCLVZMLDRCQ-IRXDYDNUSA-N 438.557 2.266 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1722282389 YSDWYXKPTJQKJA-HXOBKFHXSA-N 443.523 2.266 30 10 IEEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722309606 XUXCOGHAODNHRA-IBGZPJMESA-N 432.569 2.143 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1722364208 FFOPNJPSVYXAOV-IBGZPJMESA-N 434.537 2.061 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1722411782 PRHQOGAGPDVHKE-NQIIRXRSSA-N 441.601 2.087 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722459480 KVVZZVPFPVSONT-XFQAVAEZSA-N 433.578 2.252 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](F)COC 1722467817 FWRSRSUHWAVOAH-LAUBAEHRSA-N 449.552 2.172 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722522608 ZEKKRWPXVKZQJM-KRWDZBQOSA-N 429.525 2.153 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722555014 PDULIMIDVMITNM-UHFFFAOYSA-N 438.857 2.175 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1722631887 ZRLCJJTWPHTBCJ-CYBMUJFWSA-N 447.483 2.500 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722652136 DEJRNJNKALSPQA-KRWDZBQOSA-N 445.589 2.314 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCOCC2)C1 1722720890 CEKQDCRXEDDTAY-KRWDZBQOSA-N 432.496 2.319 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1722838239 KAJVBZNBFCXILX-UHFFFAOYSA-N 433.560 2.431 30 10 IEEE Cc1nnc(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1726320021 RKMPRYVETQYPQP-OALUTQOASA-N 435.529 2.163 30 10 IEEE Cc1noc(CCCn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)n1 1726438402 BYJLXJMTNXAIFU-UHFFFAOYSA-N 435.536 2.493 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1729637478 HTRYIUIAMSVTPU-DVECYGJZSA-N 449.559 2.038 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCn1c(O)nc2ccccc21 1730824287 IWKQBAVGKLRURE-MRXNPFEDSA-N 439.520 2.498 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCc1ccco1 1730944411 NOBFEYZNWQZQOV-PXNSSMCTSA-N 442.520 2.042 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740624271 HOKNHOKMJXJBCF-PMACEKPBSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1740643109 GJVDTWFXMDBHLC-OAQYLSRUSA-N 440.569 2.112 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(F)c1 1740657169 RACMAPYDZSVXHT-LJQANCHMSA-N 428.533 2.415 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1740664231 JJHYCXLLXPRLEX-KRWDZBQOSA-N 438.557 2.267 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2CN(CC)CC)CC1 1740695833 FKUNVQPQJOOLFN-QHCPKHFHSA-N 436.604 2.427 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(c2nccs2)CC1 1740714988 BFRLWUBIAUXKKB-UHFFFAOYSA-N 426.575 2.275 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1740960437 RMNFGEGAKAYXJR-LEWJYISDSA-N 439.560 2.312 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1741001166 MKPBNVQDKKMSRS-ROUUACIJSA-N 444.609 2.273 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1COCCO1 1741191080 WBBGLCOMIPSUQB-QGZVFWFLSA-N 426.521 2.207 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1748641705 JKLJYFYXDLPBSV-SXWKCWPCSA-N 433.597 2.133 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1748689375 BHXHIVJEUPUORE-OAGGEKHMSA-N 432.569 2.279 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)F)CC1 1748734500 FIZXKSBOHRDYAY-UHFFFAOYSA-N 437.516 2.149 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CC1 1748978853 QOPCOZBUULHEIG-DENIHFKCSA-N 433.622 2.217 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccn(C)n2)CC1 1748984586 VVQZXSGCHRSYGW-UHFFFAOYSA-N 440.349 2.245 30 10 IEEE C=C(C)Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1749207220 FZJARALBKDNRTQ-IBGZPJMESA-N 445.486 2.401 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749232348 LHCRDXGVAZPXMN-KRWDZBQOSA-N 439.607 2.240 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1 1749680462 LMUXIGHWJFOQMK-UHFFFAOYSA-N 442.589 2.240 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760185470 XQCPCPLNACIWRJ-RTWAWAEBSA-N 441.601 2.446 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1760206704 IZMULXYLJAVLOI-UHFFFAOYSA-N 445.614 2.432 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC(C)CC2)CC1 1760260984 IPFPCJZTPVFOPV-UHFFFAOYSA-N 438.624 2.017 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760285586 KQBQHBIFYUEGCJ-SJORKVTESA-N 432.477 2.477 30 10 IEEE C=C(Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1760363383 LSKSANXXWPMATC-NRFANRHFSA-N 439.560 2.474 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1760526398 NAROUNRZDNMBKP-HOTGVXAUSA-N 428.562 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1760553689 GIVLRLNOFMBSKM-YOEHRIQHSA-N 435.525 2.167 30 10 IEEE CC(C)(C)C(=O)NCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1760717946 OVZWTAXBVCRWBQ-UHFFFAOYSA-N 438.580 2.331 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1761358695 CNADNWFAKXNSJM-DOTOQJQBSA-N 445.545 2.422 30 10 IEEE CCc1nc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 1762797598 AKMLCOUXFCLXFN-OXQOHEQNSA-N 432.550 2.115 30 10 IEEE CCOCCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766596436 HTDFIPIXMQMGNP-IBGZPJMESA-N 446.559 2.477 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1snnc1C 1766646737 BBGSKJIXLIJIOQ-CYBMUJFWSA-N 445.574 2.284 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1767943383 CXJXXIAWVXZFDZ-GOSISDBHSA-N 437.548 2.437 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1768292497 DLBAEQVWQDCKGZ-FQEVSTJZSA-N 446.602 2.089 30 10 IEEE CNC(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C#N)C1 1769319645 GDZYRHHSTYLWID-IBGZPJMESA-N 433.516 2.218 30 10 IEEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)cs1 1769550224 DSTVALKWMIOIKJ-CJNGLKHVSA-N 437.529 2.341 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1771531737 AKVZUEJPHXUDSZ-FUHWJXTLSA-N 445.449 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCOC2)[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772794174 BQWUDZJFXMXTDC-OPAMFIHVSA-N 430.457 2.405 30 10 IEEE COc1nc(=NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccn2)c(C#N)c(C)[nH]1 1851836043 JROCHAJJNJKAKI-WOJBJXKFSA-N 428.496 2.337 30 10 IEEE C=CCN1C[C@@H](C(=O)O[C@H](COc2cccc3[nH]c(C)cc23)CN2CCOCC2)CC1=O 1852329843 XNMZAYTUTVQMPL-OALUTQOASA-N 441.528 2.134 30 10 IEEE C[C@H]1CC(=NC(=O)[C@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)NN1c1ccc(Cl)cn1 1852613734 HCEISSJTNRVWCJ-YVEFUNNKSA-N 443.866 2.386 30 10 IEEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OC(F)F)cc3)C2)cc1 1854361725 KGBRMDHEZUZDLN-INIZCTEOSA-N 438.408 2.250 30 10 IEEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C(=O)C1 1854621698 FPLUZQFPJCWJDU-HDICACEKSA-N 433.574 2.214 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccncc3)cc2)c1 1858994401 JOULADOYOLRORI-UHFFFAOYSA-N 449.492 2.436 30 10 IEEE C=CCNC(=O)[C@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1861843282 WCRWPERDYKSWHT-SFHVURJKSA-N 441.509 2.230 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)cc1 1862735072 BHKAGHZGHCETSA-GOSISDBHSA-N 425.397 2.015 30 10 IEEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CSc1ncccn1 1870297526 IHCARKZKNLMARL-KRWDZBQOSA-N 430.530 2.133 30 10 IEEE C=CCOc1cn(CCOC)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870384182 VBJDHKGZZJTEKM-UHFFFAOYSA-N 441.528 2.106 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCCOCC 1870543655 TZSRMYZTQPCWRF-OAQYLSRUSA-N 447.576 2.123 30 10 IEEE C=CCN=c1nc(Nc2ccc(OCCCC)cc2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871613165 SJGGQETXBDRFKE-UHFFFAOYSA-N 425.537 2.482 30 10 IEEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 1872679169 AYCXNXDQQDGTJP-UHFFFAOYSA-N 428.445 2.467 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3onc4c3CCCC4)CC2)CC1 1889324382 BDYUZHCDJGTTRO-UHFFFAOYSA-N 428.577 2.204 30 10 IEEE CC(C)(C[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)NC(=O)OC(C)(C)C 1990494749 MJMLOPSXZBGLET-HZPDHXFCSA-N 425.574 2.452 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OCC12CC2 2064050815 IYVSXOSELDGDBN-WOJBJXKFSA-N 440.544 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H]1CCOC1 2141677905 KLKTWEMXMSSYGH-RHSMWYFYSA-N 447.341 2.249 30 10 IEEE CO[C@]1(CN(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCOC1 2186276880 MCGZNGGXWSHTTC-SFHVURJKSA-N 427.148 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H](CS)C(=O)O 2229101980 TZVWCDUERBDLCX-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@@H](Cc1ccccc1Br)C(=O)O 2229114538 RTZJBPUIBNVGHA-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2235731268 WQMJHRIGHNQGHI-SQNIBIBYSA-N 439.350 2.385 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2243172393 IFDLWTUZHUHCDG-INIZCTEOSA-N 427.542 2.029 30 10 IEEE C=C(CS(=O)(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1)B1OC(C)(C)C(C)(C)O1 2247961089 BKEQGYCSOOVQKU-UHFFFAOYSA-N 442.387 2.493 30 10 IEEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255617913 FKDKKCNGCWMTNJ-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE Cc1c(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255632631 PFRIQVGVCJUSIF-OLZOCXBDSA-N 436.362 2.059 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255646299 NJNBGFYFSLCZMK-MCIONIFRSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255698760 KMFOYZIRTFALKI-WMLDXEAASA-N 431.342 2.414 30 10 IEEE C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256014787 QAGAHJMLIUCJFR-HNNXBMFYSA-N 427.306 2.420 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]2C1 2256621298 SKQBWLUFMYTERC-KBPBESRZSA-N 449.382 2.171 30 10 IEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2256629568 WJCRDNHPUWNDSD-UHFFFAOYSA-N 435.374 2.398 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CNC(=O)OC(C)(C)C)C1 2267120480 KWNMGQPDLFHCRW-UHFFFAOYSA-N 448.373 2.235 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267137032 OKHLMTWENCNAIE-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CCCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2267137094 KKUFSEYSJODFSB-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CCn1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267183468 GPOYYHONQFYSIF-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CCN(Cc2ccccc2)CC1 2267483714 XLAQQWPBXLLTDA-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2267503622 GOBZNIMXSBJZQH-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268645694 VQHIUBFSUIITRQ-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H]1CCOC1 2272569879 UQWWKQPMAUKUID-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)c2C1 2277451163 PMACMDUNCQLRKY-UHFFFAOYSA-N 444.341 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@@H](O)C#Cc1cccc(Br)c1 2278744662 SXOOGFBSQAJQLP-HOTGVXAUSA-N 446.363 2.490 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315695057 IHJQFNBIKDEQJQ-JQWIXIFHSA-N 447.288 2.114 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2cccc(O)c2)cc1 2326251994 BMEKWEZTMKARDX-UHFFFAOYSA-N 441.513 2.464 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1O 2330718652 DBCWJLVCVRYBBH-UHFFFAOYSA-N 442.476 2.372 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccn1C 2330793258 WPUSMZBOEKUERO-OAHLLOKOSA-N 439.545 2.104 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2337206920 UWHFSSILBINQQL-OALUTQOASA-N 436.365 2.066 30 10 IEEE CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)c3ccc(C#N)cc3)CC1)n2C 33121715 ZLRUJDJZJTYMRH-UHFFFAOYSA-N 430.512 2.105 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)cc1F 102756770 MVQYKWSTWXZAFC-LAFOYAEKSA-N 430.432 2.181 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)sc2C1 435101728 QPYHRKQWBOSRBY-DYVFJYSZSA-N 437.525 2.390 30 10 IEEE Cc1cc(C)nc(-n2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c(C(C)C)n2)n1 465502364 KYPQDZNXQBRVLH-QGZVFWFLSA-N 445.531 2.415 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1C#N 478844650 LKBTYSYPONQJHY-UHFFFAOYSA-N 431.521 2.276 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 482777541 DSZFUQNEIYUXCI-RXVVDRJESA-N 430.545 2.265 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 483501307 FLABBZZPXUJSHW-JOCHJYFZSA-N 440.931 2.360 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)c1 483556977 HCYJCWKMNDTMRE-UHFFFAOYSA-N 448.527 2.350 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCNC(=O)[C@@H]2c2cccc(Br)c2)c1 498916701 RTVXSTDWMZYQMG-SFHVURJKSA-N 448.342 2.268 30 10 IEEE N#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1cccc(Cl)c1Cl 505308049 MDMAASVQAAQNGX-GFCCVEGCSA-N 449.279 2.399 30 10 IEEE COc1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1C#N 533009360 QPLHQSVKFGSZJH-UHFFFAOYSA-N 433.442 2.075 30 10 IEEE Cc1cc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)o2)c(C)o1 534841896 HUWMUZHDQCIRNS-UHFFFAOYSA-N 427.486 2.325 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 536085575 HOTCDCFIBMSQSY-IBGZPJMESA-N 437.565 2.041 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 733129067 WIMAXQSLVOWFCR-CJLVFECKSA-N 438.491 2.468 30 10 IEEE COC(=O)c1cc(COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)o1 733830731 LSCJLWKUQURMOO-MRXNPFEDSA-N 425.397 2.195 30 10 IEEE O=C(O)Cn1cc(NC(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)cn1 757472593 XZOQRWIRWOJNAM-UHFFFAOYSA-N 444.447 2.448 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Br)c2)N(Cc2ccn(C)n2)C1=O 765545272 SXVWTOHTYINFOJ-AWEZNQCLSA-N 436.335 2.450 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(C[C@@H]3CCCO3)c2=O)cn1 772276215 AKMCWZLQKIQUNB-IBGZPJMESA-N 446.532 2.080 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)ccc1Br 775141885 CSKSDFZVTQQMEW-UHFFFAOYSA-N 446.257 2.393 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 783308016 FEIJXGRDZUCTIQ-IAGOWNOFSA-N 429.583 2.408 30 10 IEEE CCc1n[nH]cc1C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 785171447 AGJZFCYMUAVNOA-CQSZACIVSA-N 425.489 2.499 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 787061104 CFLCZWRDTKZEDA-FZKQIMNGSA-N 442.378 2.251 30 10 IEEE CC[C@H](CC#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 787085864 FYUQPTYMNADTLZ-GFCCVEGCSA-N 431.308 2.319 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)n1 788618318 AQOPQOMTRYOKJC-UHFFFAOYSA-N 427.461 2.162 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1CCCCC(F)(F)F 794650999 UYDYUNBFHWNMQT-UHFFFAOYSA-N 425.432 2.017 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)o1 796278910 HTBGBHRENVIMOS-GFCCVEGCSA-N 438.440 2.217 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CCN1C1CC1 802555050 DFFNPBRWWZVFPN-CYBMUJFWSA-N 428.290 2.135 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(CC(N)=O)cc2)C1=O 809940378 IQYJOJRQUDCYLI-KRWDZBQOSA-N 428.489 2.121 30 10 IEEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 812192288 SWTGWONWJLCQDH-SHCNBLLESA-N 427.505 2.434 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812309763 DQYULEJHFWOWIL-ROUUACIJSA-N 440.525 2.497 30 10 IEEE COCC(=NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 814861541 PXWNFMQPMAPHPN-UHFFFAOYSA-N 434.474 2.078 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(F)c(Br)c1)c1cc[nH]n1 818326968 LTCHYKUQQMTVAY-JTQLQIEISA-N 441.257 2.473 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccccc2O)n1)NCc1ccc2c(c1)OCO2 1084439178 NGZLFZDAQSWXFG-UHFFFAOYSA-N 426.458 2.094 30 10 IEEE N#Cc1cccc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)c1Br 1136520556 ZJMFATLVTAOEBY-UHFFFAOYSA-N 439.273 2.481 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(F)cc(I)c2N)c1 1141949805 TVQXPYZGEXERDD-UHFFFAOYSA-N 437.212 2.362 30 10 IEEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1151411667 GSPKNTQBFDDGRP-VQTJNVASSA-N 434.418 2.097 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2cncnc2[C@H](C)C1 1153034012 MOJYMVWDWGJYBK-PBHICJAKSA-N 427.530 2.220 30 10 IEEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)C1 1179979115 VQUDEUSIPAXNSC-UHFFFAOYSA-N 449.326 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)C1 1225936345 DBXXFXALWMDFMC-KURKYZTESA-N 426.521 2.335 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286322409 AWGZGGCZVIODIU-ZWKOTPCHSA-N 428.581 2.411 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@@H](C)C1 1286346932 FFGTVNBVJXSEOQ-KRWDZBQOSA-N 429.594 2.182 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCN(CC)CC1 1286415917 NCXCAHPBBHUCIA-UHFFFAOYSA-N 443.599 2.382 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1286444538 ZZOHTZQURIDLIQ-KRWDZBQOSA-N 433.516 2.312 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2nc(C)cc2C)CC1 1286476406 WSPWXQMDMJXVOK-UHFFFAOYSA-N 428.544 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286557290 UPBVACAUJQAQRE-YRXWBPOGSA-N 438.594 2.167 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286709999 KAVAEOGMLGLNKA-BGYRXZFFSA-N 444.624 2.375 30 10 IEEE CC(=O)N1CCC(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CCC(C)C)CC1 1286855822 BQBPCGHNOHSRFB-UHFFFAOYSA-N 443.596 2.425 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)N2CCOCC2)CCOC1 1286962015 ZBHXNLCBRQKYFL-GCJKJVERSA-N 434.585 2.025 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300495846 KBLBKVAKPTZCHY-UFYCRDLUSA-N 435.638 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2cn[nH]c2)CC1 1300690724 HPFZRVJUZFCWTF-UHFFFAOYSA-N 449.559 2.462 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2([S@@](C)=O)CCC2)CC1 1300719131 PGRBRHBQYCHTFX-WJOKGBTCSA-N 439.585 2.212 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1300813600 LQFUJATWOXDFBZ-XMMPIXPASA-N 438.624 2.158 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1301019360 IBVUXLZGTVMSGW-MRXNPFEDSA-N 449.964 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301490990 BNCRXVXZCBKDFT-GOSISDBHSA-N 446.515 2.270 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)N3CCOCC3)CC2)cc1 1301526408 NRMKNTYLZOLNRW-UHFFFAOYSA-N 440.548 2.028 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C2OCCO2)C1 1301536704 YYOBEBSSORXKHY-GOSISDBHSA-N 441.532 2.291 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1302487968 MOCPNOSJXJZFQC-KSSFIOAISA-N 437.342 2.182 30 10 IEEE Cc1ncsc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1304069869 CJYUFWIUEIJFRD-INIZCTEOSA-N 434.591 2.318 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)CC1 1310084627 BLNLVPSVESIZJW-UHFFFAOYSA-N 448.589 2.309 30 10 IEEE CNC(=O)c1cccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)c1 1314982790 WMRWOENDMCDQST-HXOBKFHXSA-N 440.548 2.322 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CCCOC(F)F)c1 1316530641 XDXDPDWYETXGMD-QGZVFWFLSA-N 445.474 2.486 30 10 IEEE Cc1cc(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)nn1-c1cccc(C#N)c1 1323597022 VFHZLVPGKRSGEY-HSZRJFAPSA-N 428.452 2.037 30 10 IEEE N#Cc1cc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)O)ccc1C(F)(F)F 1348801735 LSZYKEMQSUCNJN-INIZCTEOSA-N 426.372 2.483 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358958867 XOZUWCRQKSVDTF-LJQANCHMSA-N 439.541 2.479 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358961731 DNCXWDJRQNUULU-VJANTYMQSA-N 438.594 2.208 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)C)C1 1359059832 BNWNASQJNAAXMC-MRXNPFEDSA-N 433.603 2.497 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359133219 NKRYQPLLMSJDEZ-IBGZPJMESA-N 430.553 2.383 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccco1 1359281269 UEPGLDWGMFEVOJ-OAQYLSRUSA-N 429.477 2.145 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1359316887 YFRZWMRQTJWHMG-LJQANCHMSA-N 434.500 2.277 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1cnc2c(Cl)cnn2c1 1360161856 HHINZCJQXYMJMA-ZDUSSCGKSA-N 429.916 2.093 30 10 IEEE Cc1cc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)c1 1361010598 CBVZPMHCJYPGSC-OXQOHEQNSA-N 434.541 2.304 30 10 IEEE COCCN(CC1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1438324349 JXGSZSWTUUGOOK-SFHVURJKSA-N 432.952 2.381 30 10 IEEE C#CCOc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 1443946581 RINLBFATHSXHHP-AYOQOUSVSA-N 448.541 2.307 30 10 IEEE C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 1448715316 BBRSHNJWVZJUMB-JFRXWTBNSA-N 433.574 2.436 30 10 IEEE CCn1cc(C(=O)N(CC#N)CCOC)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1450837128 CSHGJIVKFKGHJM-UHFFFAOYSA-N 445.951 2.039 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 1462102140 BGXSUQNMOAEODG-IRLDBZIGSA-N 434.544 2.329 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1463940111 RGSZGADRTONPQD-HXUWFJFHSA-N 435.590 2.224 30 10 IEEE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 1464209926 DIWFXXRBAWWDJC-UHFFFAOYSA-N 441.525 2.221 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)C1 1464478982 FMOGHJGNOGOOKI-PSCUFVCCSA-N 447.557 2.493 30 10 IEEE C#C[C@@H](NC(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1470662223 CPKXHPSPBMKEFO-IAGOWNOFSA-N 443.363 2.359 30 10 IEEE C=CCCC[C@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccccc1 1471586178 MSQCVFOLPQEKJQ-KRWDZBQOSA-N 429.498 2.456 30 10 IEEE Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1471983569 DRAMKDHOGSSPKY-SFHVURJKSA-N 439.541 2.419 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)c1 1472134464 CWFPBQKVJJSVGR-UHFFFAOYSA-N 443.525 2.329 30 10 IEEE Cc1nccnc1CCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1492714082 CIAQREFXXPAFJD-UHFFFAOYSA-N 448.579 2.058 30 10 IEEE CCc1nnc(N2CCC(C(=O)NCCCN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1498896025 OFVXBURNOVTRCM-UHFFFAOYSA-N 439.564 2.172 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C[C@@H](C)O1 1504720412 FXHNCFLEVDSZOJ-UZLBHIALSA-N 433.516 2.398 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(C)(C)O 1505001519 CIIUZXSSQBKBSD-APWZRJJASA-N 429.521 2.223 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(F)(F)Br 1507642344 SLINNODWQFGFKZ-MRXNPFEDSA-N 431.281 2.379 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)F 1507659465 XHFJINHBMKSJDC-UHFFFAOYSA-N 442.470 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1507663406 ZFOBLLVQFBFLJE-OAQYLSRUSA-N 434.588 2.443 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507746628 AIHQNZIJFXYZKQ-CQSZACIVSA-N 437.547 2.089 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1507916950 IIHNRGVQLWDFIV-INIZCTEOSA-N 448.568 2.125 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1507943141 ZRFVNGBHHYTCGI-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1510292190 ZLFXHSKKQRLLER-FDDCHVKYSA-N 438.532 2.215 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cnn(CCOC)c1 1513915771 BZJOXUNBQFEYMR-UHFFFAOYSA-N 438.511 2.069 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCNC(=O)c1ccccc1F 1519403023 BTBZAZSCBOCYLL-BXWFABGCSA-N 444.511 2.310 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCc3c(CC(N)=O)cccc3C2)cc1Br 1531799051 FSRDPCPBOFZOFX-UHFFFAOYSA-N 428.286 2.312 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(C#N)c2Br)s1 1535404569 OFIBFCFXTRECBK-UHFFFAOYSA-N 428.333 2.399 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1535768097 FSWSGOUXKSCMLP-QINSGFPZSA-N 435.502 2.332 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(COC)o1 1539093628 BEKIINQYXGBJMM-RDJZCZTQSA-N 435.550 2.383 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539210653 FKJQYPAFODNMNJ-VQTJNVASSA-N 441.557 2.114 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1539221317 ZQLCZSXJMWTFIO-INIZCTEOSA-N 445.545 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)COCC 1539257506 KUGVLBZBPXIJAI-UHFFFAOYSA-N 442.589 2.374 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539273239 LTCPILIWXOZUHE-SFTDATJTSA-N 437.567 2.430 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)c1ccco1 1539421750 XKODQJYUIIAQCS-HSZRJFAPSA-N 434.500 2.103 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1539484233 IIIICSBVTJMSML-OALUTQOASA-N 426.609 2.317 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(N)=O)C1 1539499024 BOEZMBULOBFFGL-NSHDSACASA-N 440.392 2.447 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539918839 RZBZMTQGGOLZOI-INIZCTEOSA-N 431.585 2.462 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C 1540134220 UGCUTJAJVMWOIH-QRQLOZEOSA-N 431.562 2.385 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1540908233 SEVGJXJWXIJSKJ-PKOBYXMFSA-N 437.610 2.041 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1541119982 UOFKBFGDZHDNPG-CYBMUJFWSA-N 436.442 2.048 30 10 IEEE Cc1cc(C)cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1542154504 CARVSGKUVNWYFP-JXFKEZNVSA-N 434.541 2.190 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)o1 1542341413 IBFJNEGAMYUDPZ-SFHVURJKSA-N 446.577 2.238 30 10 IEEE Cc1ccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1542497203 HPVPVPNLSVQNFE-SFHVURJKSA-N 429.546 2.308 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1544785845 HHLCCEVMXRFJHX-UHFFFAOYSA-N 427.910 2.043 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1555279755 AARLRIBNTXBZHX-IBGZPJMESA-N 444.511 2.066 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CC#N)CC1=O 1555575059 JLEAIIKTWJUOIG-CABCVRRESA-N 431.928 2.227 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)F)CCO1 1555993101 HZKOUUONBSWXKH-OAHLLOKOSA-N 427.415 2.156 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)n[nH]2)c1C 1556240823 GBJSQFAUTRQFHC-INIZCTEOSA-N 444.536 2.442 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3ncc(C(=O)OC)s3)CC2)c1 1557541679 ACVXCFRZWKOPGY-UHFFFAOYSA-N 449.554 2.414 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cccc(OCc3ccc(F)cc3F)c2)c1=O 1559344067 UJXXJNUCVAOXPU-UHFFFAOYSA-N 441.434 2.449 30 10 IEEE COc1ncc(Br)cc1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1565085997 DRXWBTFKOHHCGS-UHFFFAOYSA-N 431.294 2.151 30 10 IEEE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1570831184 KPYCTMLKTVKRJD-ZWKOTPCHSA-N 425.493 2.436 30 10 IEEE C#CC(C)(C)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1586168483 AVZNYUMLZYIZQJ-UHFFFAOYSA-N 426.311 2.277 30 10 IEEE Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 1587078672 FAZMLDRDQGVNID-NRFANRHFSA-N 435.509 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1587580211 NQIHMSJLWCNEGQ-NGFNCXNUSA-N 432.546 2.340 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588041352 WPLYMAYYCHHOGU-OALUTQOASA-N 447.605 2.450 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588051018 ZKBGMJYRPXUOAS-UXHICEINSA-N 445.589 2.418 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCCC2=O)c1 1588088926 BXEBFIROZZVHBF-RUZDIDTESA-N 447.539 2.178 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)[C@@H](C)CC 1588309885 HCZQEHRDVNBASN-KKSFZXQISA-N 432.594 2.495 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CN(CC(C)C)CCO1 1588420639 JINUGMSZWSVUTR-OAQYLSRUSA-N 435.576 2.333 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1CC2(CCOCC2)C1 1588581321 NLKNZDAHYWWLMT-QHCPKHFHSA-N 432.565 2.223 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(N(C)C)nc2)CC1 1588865398 WTVBTLDJDQQALL-UHFFFAOYSA-N 445.571 2.430 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(=O)(=O)CC 1589027680 QJUIQVXGYUPYBE-UHFFFAOYSA-N 427.983 2.231 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCN1CCN(C)C(C)(C)C1 1589151140 SAPQNXSQTCFZJY-AUSIDOKSSA-N 432.613 2.020 30 10 IEEE C=C(C)COCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769489 OGSJCQGBYUTZMO-CSODHUTKSA-N 436.509 2.026 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N2CCOCC2)CC1 1594035166 GBQJLCXWHHRMEN-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)CC(F)(F)F)C1 1595745823 WZGFECPEOWRKSJ-KRWDZBQOSA-N 441.502 2.415 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br)C(C)C 1597083741 MONCECDUIVXGKP-CQSZACIVSA-N 443.363 2.390 30 10 IEEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1612799720 IIKNWJZIMLMDLS-KRWDZBQOSA-N 447.561 2.026 30 10 IEEE CC[C@H](C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1613224619 XAJGTKNQUZSZBK-YEJXKQKISA-N 425.493 2.119 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1 1613594386 IDMDLEFUYUHBGT-APWZRJJASA-N 426.521 2.393 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)C1 1618656172 RBJRFBYXNMMBDJ-GOSISDBHSA-N 426.521 2.118 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1619008343 ZEIWMMLGNBFTOO-AUSIDOKSSA-N 438.532 2.116 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cnc2ccccc21 1619990129 OGRDRIMJQFCVLA-IERDGZPVSA-N 427.484 2.494 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1620019170 KTJOVROMPDGEKD-ICSRJNTNSA-N 445.612 2.053 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)(F)F)n2)C1 1620345489 CRJNFUJFVGOTEB-SFHVURJKSA-N 437.401 2.418 30 10 IEEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1622819898 UFFOGGLMOJJPFU-INIZCTEOSA-N 438.550 2.325 30 10 IEEE Cc1cc(F)ccc1N(CC#N)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1623885682 USNSLGRIGXBVFU-UHFFFAOYSA-N 435.452 2.465 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1=O 1628894946 GRKLJAMQNNATSI-FQEVSTJZSA-N 436.512 2.213 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)ccc2c1=O 1635387018 DDEPKLVFUNXNOI-UHFFFAOYSA-N 447.520 2.291 30 10 IEEE CN1C[C@@H](N(C)C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCC1=O 1637952373 LZRURNXHJQGPJU-PXNSSMCTSA-N 426.517 2.472 30 10 IEEE C#CCN1CCC(C(=O)N2CCN([C@@](C)(CO)c3ccc(Br)cc3)CC2)CC1 1640037490 HVYGKOXYADFQQW-QFIPXVFZSA-N 448.405 2.146 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 1641630568 AOLIPGLDJMUWEL-KRWDZBQOSA-N 431.493 2.319 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3C[C@@H](N(C)C)C3(C)C)nnc12 1641661352 UFVXMQRYUFSHPH-IAGOWNOFSA-N 440.573 2.167 30 10 IEEE C[C@](NCC#CCN1C(=O)c2ccccc2C1=O)(C(N)=O)c1cccc(C(F)(F)F)c1 1642120830 VWDULXYYFQVNPV-OAQYLSRUSA-N 429.398 2.295 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)CC1 1644676443 BKNCAZWVLRKPKG-INIZCTEOSA-N 426.487 2.300 30 10 IEEE C=C1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1645279764 CGEPIQWCTCDNQM-FQEVSTJZSA-N 440.481 2.364 30 10 IEEE COc1ccc(CN2CCN(C(=O)CN3CCC[C@](C#N)(c4ccccn4)C3)CC2)cc1 1654465599 CGSYEHXHOIJWOE-RUZDIDTESA-N 433.556 2.292 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@H](NC(=O)OC(C)(C)C)C3)CC1 1655415725 MNKQHYPZIIFGNY-ZGXWSNOMSA-N 433.597 2.056 30 10 IEEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1659363171 FJFAZZXHQDBDQN-GOSISDBHSA-N 430.530 2.133 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C3)CC1 1659881385 NUZOAGAJGQOAJI-JSXRDJHFSA-N 447.624 2.304 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)CC1 1665734161 PBJFBGWISSEFJA-HSZRJFAPSA-N 435.365 2.001 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)C1CCOCC1 1667003942 JBWVSGCBRVVZDC-UTKZUKDTSA-N 433.574 2.335 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CCOC)CCC1 1689951042 KKDWKJZQNLRYBP-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689992843 PNXKKKNBCFIIBM-GOSISDBHSA-N 448.976 2.064 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1CC 1690062188 GDDXUNBFFYOECO-UHFFFAOYSA-N 425.493 2.090 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1690072825 VPUQCOBXEQYHLR-UHFFFAOYSA-N 446.515 2.323 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690155078 FESDZWLPERHRGK-IBGZPJMESA-N 432.638 2.293 30 10 IEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOCC1 1690170369 GYPQREGJPCUKFJ-UHFFFAOYSA-N 438.557 2.268 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1690300794 KSKYLJOUHGNXMS-SJORKVTESA-N 444.511 2.364 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)N(C)C)CC1 1690367597 UTOQDCFLBNTVHE-KRWDZBQOSA-N 432.594 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1690662292 XTEBEEMTPUQUIP-UHFFFAOYSA-N 428.924 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1690668287 ZAHAGQMBTDTPOQ-QZTJIDSGSA-N 439.564 2.164 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OCC2CC2)C1 1690673710 AZMKFUNIVXVFHP-GOSISDBHSA-N 430.578 2.331 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccco1 1691101638 KFVCTASMMKWNQK-UHFFFAOYSA-N 448.531 2.192 30 10 IEEE CC(C)N(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1692465676 QVNQKLAWFGPTQK-UHFFFAOYSA-N 448.579 2.450 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1695356156 FHLBLEIURPRPOM-ICSRJNTNSA-N 442.589 2.172 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705507609 ALRNTTZFWGBDLU-SFHVURJKSA-N 434.504 2.040 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705564926 FRSSNECPFQXWLN-HXUWFJFHSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCCNC(=O)OC(C)(C)C 1705601064 XCZUZUKRPJPUOP-UHFFFAOYSA-N 442.564 2.168 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCS2(=O)=O)CC1 1705765988 JGFDABODSKLSMD-UHFFFAOYSA-N 447.561 2.154 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C 1705865733 UMPHDILLPRDQNT-UHFFFAOYSA-N 449.544 2.263 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705930697 UAHXRIYAOVEKAX-HUUCEWRRSA-N 437.532 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 1705933163 WMVSFVBXNXTHRB-HNNXBMFYSA-N 449.964 2.010 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CC)C1 1705936830 ZHMSXXFGZGHODQ-APWZRJJASA-N 448.545 2.007 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)Nc2ccccc2)cs1 1707761123 HDVJDFIZRHZYMI-SFHVURJKSA-N 437.529 2.391 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H](C)S1 1708181007 HUEFDPQFXSJFQS-IYBDPMFKSA-N 426.546 2.006 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1708827184 GIWUXBSZFWLVDX-GOSISDBHSA-N 425.537 2.274 30 10 IEEE CN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1711096234 LDFSVUYMWUKGEK-BWVDKLOVSA-N 440.479 2.432 30 10 IEEE Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCOC(C)(C)C)CC2 1711281877 LNBNZEGQTHJGQP-UHFFFAOYSA-N 433.516 2.288 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1712254236 GGFILNLAINSMKC-IBGZPJMESA-N 438.532 2.118 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1712455434 XEGGTKSGHYHUOJ-SIKLNZKXSA-N 426.521 2.435 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)c(F)c1 1722373626 KZGIGOHJPQVKDT-QHCPKHFHSA-N 425.508 2.256 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1 1722574319 KHZQXPPYCYUTNB-KLHJMIIUSA-N 437.610 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722731463 LQSBLAXORAKKAG-UHFFFAOYSA-N 447.605 2.359 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722735402 KOPVIRRLBUINSJ-MRXNPFEDSA-N 438.623 2.300 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722861905 DQRKJXODSNPQQP-HUUCEWRRSA-N 436.969 2.476 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1722869700 RCQVLJHFENFMBF-WMZOPIPTSA-N 430.578 2.085 30 10 IEEE CCC(CC)[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)N(C)C 1727168603 OYMLUXMDQPKBBM-SXWKCWPCSA-N 448.612 2.414 30 10 IEEE CCc1nnc(N(CCC#N)CCOC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1727525098 SEUPUTACAKDMJN-FGTMMUONSA-N 448.568 2.231 30 10 IEEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1729596704 FXJQKSMVRPHNPF-QGZVFWFLSA-N 447.465 2.122 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1730483315 DXYCWOGNEZLGKP-DLBZAZTESA-N 427.440 2.071 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1740548379 AOCZYLCSPJFZOY-QWHCGFSZSA-N 427.452 2.100 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740577373 BHGMKTJBRUDUBZ-NRFANRHFSA-N 425.533 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740634821 FZEOSQBHXJGNJD-QHCPKHFHSA-N 426.524 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCCC1=O 1740652067 QQVQGPXAKZNMRQ-UHFFFAOYSA-N 441.539 2.312 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCc2nccn2C1 1740680707 LXWLLXXVAKQQEE-QGZVFWFLSA-N 435.488 2.398 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC2CCN(CC)CC2)CC1 1740704118 HXFPXAWUZXYLSU-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[C@H]2COCCO2)CC1 1740704816 YIOHUKIGJFABAP-FQEVSTJZSA-N 437.544 2.025 30 10 IEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)CCC(=O)NC 1740747921 AVUGZQIUTWBZEI-UHFFFAOYSA-N 438.326 2.347 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1740958634 RZJBAVFFYJLOQB-RBUKOAKNSA-N 438.532 2.272 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCC2)C1 1741233186 OSFSOVALTDRAKA-IXDOHACOSA-N 446.552 2.083 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCn1cc(Br)cn1 1748845794 AGAKPGVTMQSVDJ-INIZCTEOSA-N 431.338 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1748859675 YJCUEFZDNKDLSC-GBESFXJTSA-N 427.549 2.390 30 10 IEEE C=C(Br)Cn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749112898 RWLLHYIPUJJDQL-QIIPPGSGSA-N 429.359 2.434 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C 1749137148 WKULTOAEEYDSFJ-QRWLVFNGSA-N 447.971 2.405 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749223516 VIVTUDXPHKMISK-UHFFFAOYSA-N 447.543 2.351 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccccc2[C@@H]1C 1749682863 BIWPLMFYXMKYNO-MDKPJZGXSA-N 425.533 2.428 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1750451369 GRKHJMUPWPDLCK-NHCUHLMSSA-N 438.576 2.309 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCSC1 1751252197 HJQWWUOYVRSWSR-VHFSOBRXSA-N 433.509 2.154 30 10 IEEE Cc1ccccc1-c1nnc(N2CCCO[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751672337 ZJZKQZXBMBRPFK-WXVFVKJXSA-N 436.516 2.395 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760187420 DDZRICAYQXCUBA-IBGZPJMESA-N 445.589 2.480 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCOC[C@@H]1OC 1760214655 XCGDZNVHZBREDX-AVRDEDQJSA-N 438.528 2.477 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1760232948 GPTJQDJBOCOOSV-LEWJYISDSA-N 441.601 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(SC)CCC2)CC1 1760269572 LTEYBFPNCDKTRI-SFHVURJKSA-N 431.606 2.424 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCCC 1760289953 UGSSITOWCGWGAT-IIBYNOLFSA-N 446.577 2.113 30 10 IEEE C=C(Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1760364168 IBUDUDQJGRYFHC-UHFFFAOYSA-N 432.528 2.272 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1760440406 JDNVFIQHLFSRLV-SFHVURJKSA-N 437.610 2.279 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760517048 AWFSZBVRAJLSTD-SBUREZEXSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCCCCC1 1760517690 VLMCCMWRFVIYNG-UHFFFAOYSA-N 431.562 2.421 30 10 IEEE Cc1ccc(OCCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1761844618 KHUHTOWMJUGWSE-HXUWFJFHSA-N 438.532 2.297 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1765356715 DNGQQTPBJQWBQZ-UHFFFAOYSA-N 436.520 2.251 30 10 IEEE CN(CCN(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 1767347858 RHOSCIYCCCOAQU-XDOYNYLZSA-N 435.532 2.255 30 10 IEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)c1ccc(F)cc1 1768112497 FRTHYXSNAJVYHF-UWWQBHOKSA-N 435.525 2.445 30 10 IEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCOCC2)cc(OC)c1OC 1769797728 CDTFCCJTJOFOFH-OAHLLOKOSA-N 445.520 2.251 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCc2ccco2)C1 1771530992 YSNNAVMCNHBARX-OAQYLSRUSA-N 442.426 2.348 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)Cc1cccs1 1772566380 KNAYOMDMCCMYFJ-QGZVFWFLSA-N 440.529 2.393 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCc4[nH]nc(C#N)c4C3)cc2)C1 1849599976 SVUVYNUSLZGTPO-HUUCEWRRSA-N 427.530 2.146 30 10 IEEE CS(=O)(=O)N1C[C@H](C(=O)N2CCCc3nc(C#N)ccc32)Oc2ccc(Cl)cc21 1853020452 OKYVBQQNOJOXIH-GOSISDBHSA-N 432.889 2.113 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(C#N)cnn1-c1cccc(C(F)(F)F)c1 1853296646 IUISLXPSTRFZFL-CQSZACIVSA-N 427.408 2.125 30 10 IEEE Cc1c(CN(Cc2ccc(N3CCCC3=O)cc2)C(=O)c2cnc(C#N)nc2)cnn1C 1853566369 YDYPRQBVQOPOAY-UHFFFAOYSA-N 429.484 2.360 30 10 IEEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C1=O)CC2 1856518776 OMOAADPQGJBUEJ-HIFRSBDPSA-N 437.468 2.050 30 10 IEEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H](F)CC(F)(F)F 1856904206 AKVIRMITQDJEFS-ZDUSSCGKSA-N 435.399 2.317 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccc([N+](=O)[O-])c1C 1861009961 FRRJZTYVSCACOW-LJQANCHMSA-N 425.441 2.472 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1 1862609258 ILSHPYPIHIRHLO-CWTRNNRKSA-N 440.408 2.325 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)NC)sc2c1 1866193086 OSGMPJVNZITVSS-UONOGXRCSA-N 436.559 2.252 30 10 IEEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c[nH]nc2c1 1869928231 DLYDXMFPKRMCNI-HNNXBMFYSA-N 429.527 2.362 30 10 IEEE CNC(=O)COc1cn(CCCOC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870304024 WRRYCEGMXNAWGX-UHFFFAOYSA-N 444.557 2.494 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 1872919372 ZGZNHJKFDGNFJY-CQSZACIVSA-N 434.880 2.142 30 10 IEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cn(C)c2ccccc12 1874435677 RMOZRMOOOMRUIO-LSHDLFTRSA-N 428.518 2.333 30 10 IEEE Cn1nc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Br)c1Cl 1881517157 VNLXFCFOGFVLQL-WDEREUQCSA-N 447.765 2.281 30 10 IEEE C=CC1(NC(=O)[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1991911625 RFDCRWBWZZASKV-OAQYLSRUSA-N 425.526 2.040 30 10 IEEE COC(=O)C1CCN(C(=O)COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)CC1 2042439519 UGHCAUWAVVPRFB-UHFFFAOYSA-N 442.390 2.312 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2060640602 WTAYHKWQGZVRNG-AOMKIAJQSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124534405 HVSPTBGJDVSSKR-OWCLPIDISA-N 444.341 2.217 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141678739 RNFMMCOJTSMPHU-HOCLYGCPSA-N 447.341 2.344 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#N)cc1F 2164487647 OMILWGJFPOQDCJ-HXUWFJFHSA-N 433.436 2.141 30 10 IEEE C[C@@H]1O[C@]2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2254810715 LBWVGESNEAKLPD-NZUPQLOKSA-N 440.544 2.438 30 10 IEEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCC1 2255620044 VIOJKQFHYVBAFC-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255697782 DKQGSJCPGWEPIU-PVAVHDDUSA-N 429.326 2.118 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2255877915 OWJLUGXKKSFFRZ-KRWDZBQOSA-N 431.342 2.414 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258877355 ZIBYILWVAMSUNV-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094547 HPTAUVWMXZUHEL-BFJAYTPKSA-N 446.357 2.131 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)n1 2267171637 NKHSSHCKVNMCNI-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267191104 XSRFCYHLLTWHQY-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCCN1C(=O)OC(C)(C)C 2267501541 ZCWUWLNDALBICN-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2267507779 UNIDOJQHZIYPPC-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC2(CC2)C1 2267521080 OFOKYWFZAKDQTL-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CO1 2268648164 WRIOYVCAKDZESJ-HUUCEWRRSA-N 447.341 2.249 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268702405 VBWDVQVWJFFJSJ-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298381083 ZNCKHYJUNFREBE-BZUAXINKSA-N 442.387 2.349 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2337394710 PUZYIPVUWGJNFI-CQSZACIVSA-N 448.373 2.109 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2)n1N)c1ccc2c(c1)OCO2 21318064 YBFICZVQZSUUDC-WSDLNYQXSA-N 425.474 2.288 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)cc1 21324338 QSCUIKQCDDFCIU-YDZHTSKRSA-N 426.506 2.353 30 10 IEEE CC(C)c1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444356 MNYHRZGILNLOEN-ROUUACIJSA-N 449.511 2.460 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 254701460 BFNOQUVNQXUYIL-UHFFFAOYSA-N 431.474 2.466 30 10 IEEE CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 438315609 CFIBSKPSBUVDNR-UHFFFAOYSA-N 428.518 2.459 30 10 IEEE CN1CCc2ccc(S(=O)(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc21 440380928 PPLFGQCQGCOXGJ-UHFFFAOYSA-N 436.541 2.230 30 10 IEEE COc1ccc(CN2CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2=O)cc1 480699223 ONTJEIFILSTNFN-UHFFFAOYSA-N 431.489 2.270 30 10 IEEE N#CC1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCN(Cc2ccccc2)CC1 482723435 MNNSKECIJKLOBA-UHFFFAOYSA-N 444.532 2.169 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)cc2)nc1 538326002 IEHKQYVUHQILAD-DYESRHJHSA-N 427.482 2.212 30 10 IEEE COc1cc2c(cc1F)CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 538599152 QGMQAZJHXNAMLD-IBGZPJMESA-N 436.443 2.496 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1[N+](=O)[O-] 546169594 CAYHIGZDRLXRHT-HXUWFJFHSA-N 448.483 2.123 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 554192440 DGYWXCOVORROIQ-LJQANCHMSA-N 434.562 2.436 30 10 IEEE N#Cc1cccc(C2(NS(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1 575887614 CUUMBIVEASTHRM-UHFFFAOYSA-N 431.539 2.310 30 10 IEEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccccc1SCC#N 609465023 CZWVDFPKCMBJMT-OAQYLSRUSA-N 434.525 2.370 30 10 IEEE CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 610005313 PYBHPHHOPOXDCU-KRWDZBQOSA-N 430.496 2.368 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 679755133 LKOQQWJSWDWVOS-HNNXBMFYSA-N 439.562 2.284 30 10 IEEE Cc1cc(C#CCCO)cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703981619 SBVYDRZPDJAJDX-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE COC(=O)CN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 731783899 KJAGNAOFGHMYGL-UHFFFAOYSA-N 448.932 2.307 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)/C=C\c1ccccc1Br 733316549 SMDAXWFUSMTOCL-UUASQNMZSA-N 428.352 2.297 30 10 IEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1=O 734292513 RPGUPWBSPLXQSW-AWEZNQCLSA-N 447.900 2.387 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O)O[C@H](C)C2 746234935 NOADFADQVFUSSM-WFISQAIASA-N 425.485 2.297 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3cccc(OC)c3o2)c1=O 748065125 IEINWGSGBGZESH-UHFFFAOYSA-N 438.505 2.183 30 10 IEEE CSc1ccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC2=O)cc1 750414586 KZGBWPCAGFWKLI-MRXNPFEDSA-N 429.523 2.279 30 10 IEEE COc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)cc1C#N 752189258 PBMJAIVLKBUVHW-UHFFFAOYSA-N 428.923 2.059 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 756076101 ATGITBHFKWVUMY-UHFFFAOYSA-N 439.537 2.335 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nc(F)c(F)cc4F)CC3)cc2C1=O 758339834 WTKUHSFBUAUIFY-UHFFFAOYSA-N 430.386 2.243 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 763213317 RKMYTGMJAANGNJ-OALUTQOASA-N 436.597 2.106 30 10 IEEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 764127839 CCYBQDRWBXUHAH-UHFFFAOYSA-N 429.361 2.006 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 767752482 VQICFXQYNPYZLX-KDOFPFPSSA-N 439.534 2.126 30 10 IEEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771449700 ZALQRCXMPBIHME-QMHKHESXSA-N 445.516 2.127 30 10 IEEE COc1ncc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1Cl 793301847 ANDBVPHKGFDEBY-UHFFFAOYSA-N 430.667 2.496 30 10 IEEE CCn1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)cn1 795178310 RZJLMLKVMPURTQ-SFHVURJKSA-N 428.562 2.103 30 10 IEEE C[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(N2CCCC2=O)cc1 803601681 UGMQEFYTCWYILD-GOSISDBHSA-N 445.523 2.211 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812387342 KIPITIRRXFVQCY-WMZOPIPTSA-N 432.521 2.056 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccccc3)c2=O)cc1 839255872 AGZCSDNYMBMYPT-UHFFFAOYSA-N 433.533 2.183 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ncccc2C#N)cc1 917154734 RPQNJYVBHZXEBH-IBGZPJMESA-N 429.546 2.183 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(C(=O)OC)cc3)n2)s1 1084387940 AQQRPGAQRNJODV-UHFFFAOYSA-N 446.518 2.182 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3CCc4ccc(C#N)cc43)CS(=O)(=O)[C@H]2C1 1138025970 ZPPWEMWUHLDBNS-SCTDSRPQSA-N 445.541 2.118 30 10 IEEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1140926257 QEKLJENDRSJPOU-JTDSTZFVSA-N 438.546 2.112 30 10 IEEE C#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1141593576 KQJXHLQSNWQLOJ-IBGZPJMESA-N 431.536 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 1141628348 SGRKVCLTJXTJNO-HSZRJFAPSA-N 440.500 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 1142132373 SBJVFSQFICSEKE-UHFFFAOYSA-N 434.558 2.368 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)nc1 1178460577 MVNVMMKWVRUWPR-KRWDZBQOSA-N 443.504 2.250 30 10 IEEE COc1cnc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1O 1180059839 KFOOQTQPXQRSOY-XJKSGUPXSA-N 441.875 2.432 30 10 IEEE Cc1ncccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1212077114 GIKWBFQBBXXTDO-JTQLQIEISA-N 441.282 2.469 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286390474 BBMWBXHDFBZJGM-OFNKIYASSA-N 444.601 2.097 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286397467 ZOLLKFNRFLGMHY-QRVBRYPASA-N 436.578 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc2c1OCCCO2 1286416665 ULZNDDQSVMXAKO-UHFFFAOYSA-N 430.512 2.422 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1286426014 GREUKHACPIYSOU-IBGZPJMESA-N 442.523 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2COc3ccccc3O2)CC1 1286486244 JQXLYGSQNNAOEF-SFHVURJKSA-N 437.544 2.381 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1286492012 CKEUZCZAZMTZSG-FHJLPGHOSA-N 429.565 2.037 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286495801 FTPIKCOQERDZOW-IRXDYDNUSA-N 427.640 2.266 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286653258 TUPZUUFAZRSRJP-KDURUIRLSA-N 430.597 2.416 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286788886 JNQVBCVKSHZCBA-JXQFQVJHSA-N 439.560 2.252 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1286791653 YDMPEKWMSIBISN-IBGZPJMESA-N 438.576 2.425 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1286969597 QNZCOMSTGLIXTH-HKUYNNGSSA-N 425.537 2.048 30 10 IEEE C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1288626790 FGNBZRCNWUNBKC-IBGZPJMESA-N 445.575 2.269 30 10 IEEE C[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1291246728 SXVZUKYMOPNOAL-LZICOFPGSA-N 428.537 2.466 30 10 IEEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1293676809 XLOXGCQZZRSSBP-OAJJDEHYSA-N 431.504 2.315 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1297206882 GIIMPLSTQBPYBV-JOCHJYFZSA-N 425.537 2.225 30 10 IEEE CCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1297560116 XKOXLQQWVCJLJZ-KRWDZBQOSA-N 448.531 2.367 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1297826946 HJUPQAUHRVPSAM-KKIUXKEOSA-N 446.552 2.236 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300344625 FSABVUARRXGIIU-IBGZPJMESA-N 441.513 2.284 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1300381496 FPGZYDQPSOSARM-UHFFFAOYSA-N 442.593 2.058 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300488402 DNQAOPFMEIGGQX-CQSZACIVSA-N 446.451 2.400 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1c(C)noc1C 1300516115 IOTYFPXSEFGEDH-UHFFFAOYSA-N 437.525 2.269 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCS(=O)(=O)C1 1300590763 FHQNJJRZIYWYFS-FQEVSTJZSA-N 440.569 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCOC[C@@H]1C 1300674707 DANRNSXNHJVRAC-FQEVSTJZSA-N 436.560 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1300726816 RQQPBMRZEISJSS-KOSHJBKYSA-N 438.576 2.027 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(CS(C)(=O)=O)CC1 1300778994 MVJCFQNNNHTCRQ-HXUWFJFHSA-N 435.594 2.013 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1300845343 WRIJTQXDENKNPD-HNNXBMFYSA-N 434.342 2.197 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300863968 WXNLAMTWIKJSDW-DGAVXFQQSA-N 443.298 2.025 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301190466 TVLDCPZNWAMTCQ-GOSISDBHSA-N 435.536 2.152 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1301258557 VUCBXYJELARCJF-KRWDZBQOSA-N 432.546 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CCOCC1 1301576074 RFNPTTWHPOEONK-UHFFFAOYSA-N 449.533 2.317 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(F)(F)CNC(=O)OC(C)(C)C 1301951992 DOIPIBUSGUQOCW-ZDUSSCGKSA-N 443.499 2.172 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1301999260 DXEHKFMSSYDHFH-QUCCMNQESA-N 434.585 2.099 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1306528490 IDGCFMSBAYDHTG-FGZHOGPDSA-N 443.573 2.383 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(CCOc4ccccc4C#N)C3)[C@@H]2C1 1308028320 KYUQWGOUYWSPSP-GGPKGHCWSA-N 442.516 2.451 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1 1310131948 WTCQBUJIOFNLPO-QRWLVFNGSA-N 436.534 2.236 30 10 IEEE CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1313479678 TYZZZUOSPLNIGC-QUCCMNQESA-N 432.532 2.338 30 10 IEEE CCN(CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1313814266 JWFMHOGTMOHGLA-FQEVSTJZSA-N 438.580 2.106 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2nncn2CC)CCOC1 1314079998 AVTXDVABBXMLAW-QFIPXVFZSA-N 436.520 2.098 30 10 IEEE CCOC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCCC1 1314152107 QRPUMKBZKLMROF-AVRDEDQJSA-N 433.553 2.397 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1315081536 VVBYCHLGNGRDMM-KSFYIVLOSA-N 443.504 2.221 30 10 IEEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)(C#N)CC1 1315819045 LNLCTSNPBYNTOM-OAHLLOKOSA-N 449.556 2.353 30 10 IEEE COCCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1316137861 KOMVNTRJJHFMPV-UHFFFAOYSA-N 436.516 2.181 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1316532173 MWRGMLMNNDFWNB-IIDMSEBBSA-N 430.450 2.498 30 10 IEEE C=CCO[C@H]1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1320897143 AWOLUPQKOFXGOW-IBGZPJMESA-N 433.574 2.027 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1C 1348610653 GMLCUIAQNXVUGC-CQSZACIVSA-N 446.916 2.420 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1358910839 CVYDEXYISQFBHZ-IBGZPJMESA-N 437.504 2.268 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1358912174 KKIDJFRKWZITJF-HNNXBMFYSA-N 446.495 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CCCCC1 1358982076 JJMOKOGDAZVDSS-UHFFFAOYSA-N 449.603 2.248 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1359054808 IOZDOOVZPZXCSP-LJAQVGFWSA-N 426.571 2.475 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359288255 PHDZODBSLOYPIF-UHFFFAOYSA-N 436.491 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC3(CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335481 MQIGGKLORKEYJN-OAQYLSRUSA-N 438.594 2.300 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359343365 RMWOQZNMUYRVEX-QFBILLFUSA-N 426.608 2.106 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359343681 YLLBOCMGXVXEKV-AZUAARDMSA-N 434.654 2.385 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)CCO1 1359452035 FCRVVCGJJKRRGY-FQEVSTJZSA-N 426.521 2.116 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1359470702 DGDBUWKZQMRQFU-GOSISDBHSA-N 432.532 2.218 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359471311 PPLRGCBGWZCCFR-MRXNPFEDSA-N 436.520 2.191 30 10 IEEE CC(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1359939917 AHEDWAQIXPIGCM-IBGZPJMESA-N 442.589 2.425 30 10 IEEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)COc1cccc(Br)c1C#N 1438035315 WKUILILNQVCOBD-GOSISDBHSA-N 425.279 2.270 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1439744909 PUXLDNYFJLIVAP-HYBUGGRVSA-N 432.480 2.234 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1nccn1C 1460640620 KYOPWHAKKXOWBQ-SFTDATJTSA-N 446.467 2.406 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1461445231 SWRKEVMRANIXCU-CMJOXMDJSA-N 449.515 2.273 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC2CCN(C3CCOCC3)CC2)c1 1464448414 DZWNAPJILVGYQS-UHFFFAOYSA-N 428.352 2.242 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CCOCC1 1464570413 ZMOROXPJBVQYGT-UHFFFAOYSA-N 442.324 2.390 30 10 IEEE COC[C@H](F)Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504607264 JQXPXZFEKFUAJN-FUHWJXTLSA-N 442.543 2.372 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(OC)CCC1 1507606463 MSGAPMJZWGUWDX-UHFFFAOYSA-N 431.562 2.224 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccc2F)CC1 1507718951 ILZPGVQJHBEFKA-QHCPKHFHSA-N 427.524 2.067 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C)nc2)CC1 1507719076 XYPPQFSQJZKJFQ-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1508080444 OQGAYASDKOGDKA-LJQANCHMSA-N 438.580 2.130 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cc(F)ccc3OC)CC2)nnc1C(C)(C)C 1508098753 RHWIAYXQISNFEE-UHFFFAOYSA-N 444.555 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2ccc(O)cc2C1 1508137135 KGXLRGUMWRFEBB-UHFFFAOYSA-N 425.514 2.209 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1508415596 CHTIXMDJBOLSKO-VQIMIIECSA-N 439.589 2.427 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccsc1 1519430449 UEZQPNFTMZREBL-QHERXFFYSA-N 435.525 2.413 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCOCCCO)C[C@H]1c1ccccc1 1521162418 SFJXGFDMTXVSDS-YADHBBJMSA-N 432.528 2.406 30 10 IEEE CS(=O)(=O)CC1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1523332540 FZWNKKWMJRJING-SIWZUTFBSA-N 437.949 2.284 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CC3)nn2C)cc1 1534462168 YMMOIDYXRAUTFQ-BWAHOGKJSA-N 444.561 2.467 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539115442 BMSOEHKFVUPLMP-HXUWFJFHSA-N 435.576 2.195 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)CC2=O)cc1Cl 1539320739 HKYFEFHETYOYJR-OLZOCXBDSA-N 442.825 2.092 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(F)(F)CO1 1539421490 UEJWRLJYUYFJQY-KRWDZBQOSA-N 430.459 2.027 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](OC)C2CC2)CC1 1539481450 ACEXESDLBXFLDK-NRFANRHFSA-N 439.535 2.399 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539967835 UXGPCBOBIOZQJT-ZHRRBRCNSA-N 430.553 2.343 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1540049326 KYWOOJNVLKPDJA-OAQYLSRUSA-N 434.562 2.145 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1540874462 HLVWLTFBLQCOLV-QGZVFWFLSA-N 433.507 2.314 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](CC)C1 1540875856 ZWBQJNCFTOEPLS-INIZCTEOSA-N 431.562 2.496 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2cc(C)c(C#N)cn2)c1 1544153992 UVKJAUHIBQFYJB-UHFFFAOYSA-N 437.319 2.041 30 10 IEEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1546163134 GXZJKJADFXFBHL-INIZCTEOSA-N 431.562 2.186 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1554246602 NFECXTLGFZJBIY-UHFFFAOYSA-N 436.520 2.334 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(OC)CCOC1 1555731487 MOVNGSYOXRRWLD-JTAQYXEDSA-N 441.532 2.316 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)c2)cc1 1562206305 GYTYYILGSPJODR-GOSISDBHSA-N 428.514 2.474 30 10 IEEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccc2c(c1)OCCO2 1585492851 PDHJDFLVCKLQCC-KRWDZBQOSA-N 437.452 2.154 30 10 IEEE C=CCCn1cc(C(=O)N[C@@]2(C(=O)OC)CCc3cc(Br)ccc3C2)nn1 1587633153 SNDGIEZVQQADJN-IBGZPJMESA-N 433.306 2.447 30 10 IEEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)c2)CC1 1587962252 ZLQVRXBAWOKRHZ-FLIBITNWSA-N 445.516 2.373 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1588058737 BIFLVLGBKMRHIS-HXUWFJFHSA-N 444.601 2.379 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2CCCC2)CC1 1588871417 CMNBIFIDHOXNLM-UHFFFAOYSA-N 438.576 2.107 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC2(CC2)c2ccccc21 1588985873 XDNGMAHPCTZRHY-OAHLLOKOSA-N 431.587 2.438 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1594624826 BUQYMFFYXZKFKV-VXKWHMMOSA-N 446.640 2.370 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1595418777 YQYYSLDOSXBXHT-UHFFFAOYSA-N 442.520 2.100 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC(C)(C)C2)C1 1595744143 KLBCREREOZLPIX-LJQANCHMSA-N 430.597 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(OC)C1 1595777869 SCTFJKALTJINDM-OAQYLSRUSA-N 448.545 2.280 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595890575 ZBXNANMGVAWUHT-HXUWFJFHSA-N 428.606 2.342 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1596702474 AIYNLVCBXOMWTR-FQEVSTJZSA-N 432.532 2.460 30 10 IEEE CC(C)[C@@H]1C[C@H](N2CCCC2)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1606972407 UBVZZUPZWKUMHG-HBMCJLEFSA-N 437.544 2.485 30 10 IEEE C#CCN1CCN(C(=O)Cn2c(=O)c(C(F)(F)F)nc3ccc(C(F)(F)F)cc32)CC1 1613713251 OWLMFSRTMNAYQV-UHFFFAOYSA-N 446.351 2.212 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(CCc3cccc4c3OC(F)(F)O4)CC2)cc1 1616239709 TZFJLFZIRJTKEQ-UHFFFAOYSA-N 435.452 2.429 30 10 IEEE Cc1c(C(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)cnn1CCC#N 1617125501 BXEZYBFHOOJTJA-UHFFFAOYSA-N 429.502 2.366 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCSC 1620110138 IWRIUPKCCQXHPL-WDSOQIARSA-N 434.610 2.322 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1 1625121033 CIFAJZJLWBXGKX-VQTJNVASSA-N 440.481 2.103 30 10 IEEE COC(=O)[C@H](C)c1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1626303821 GQPJVUFWUVTKEK-ZIAGYGMSSA-N 429.498 2.419 30 10 IEEE COc1ccc(S(=O)(=O)NCCC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1OC 1627683159 OAPPYYUMPAXINR-UHFFFAOYSA-N 443.525 2.439 30 10 IEEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OCC 1635699240 RSNCZWKFHCDFKX-HZPDHXFCSA-N 428.576 2.471 30 10 IEEE C=C1CCC(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1637665858 QBJSKCBGDWSQFA-UHFFFAOYSA-N 447.601 2.471 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@H](C)O)cc1 1638247959 AYGSTCWZACHOQD-RVHYNSKXSA-N 427.526 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 1640853382 PTJNDZJUGSXFJJ-ZVDOUQERSA-N 440.544 2.372 30 10 IEEE C#CC[C@@H](NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)C(=O)OC 1642410554 HOQMEPTZQSZTGE-HXUWFJFHSA-N 428.510 2.262 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c1C 1646089303 AOJNHXOFNOCBQF-UHFFFAOYSA-N 428.533 2.036 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@](C)(Cn3cnc4ccccc43)C(=O)OC)cc2C1=O 1647885606 VRFNNQMXEZMEIK-DEOSSOPVSA-N 446.463 2.180 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 1648295610 MVSRRLZZWWTLMS-AWEZNQCLSA-N 434.422 2.164 30 10 IEEE Cc1cc(C#N)cc(C)c1CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1652833203 VWYFZMXVZSBHNN-UHFFFAOYSA-N 448.589 2.242 30 10 IEEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 1652904040 NFEWRFNCKWNUGJ-UHFFFAOYSA-N 438.840 2.282 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2)C1CCOCC1 1663234231 IOTLTTIRCPXUQQ-CQSZACIVSA-N 427.320 2.041 30 10 IEEE COc1ccc(Br)c([C@@H](CO)N(C)S(=O)(=O)c2cccnc2C#N)c1 1663428125 CTKGOFOWWFKFAI-OAHLLOKOSA-N 426.292 2.078 30 10 IEEE C#CCN(C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C1CCN(C)CC1 1668807250 TVFQFAILANEVBI-UHFFFAOYSA-N 442.560 2.047 30 10 IEEE C#CCOCCNC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1679421418 AAMFAJUQKQJNBL-UHFFFAOYSA-N 444.576 2.495 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 1684363814 PZHIEXWEVYXBOZ-BJKOFHAPSA-N 433.556 2.457 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1687347480 FPNVMUGGPIEDCK-UHFFFAOYSA-N 441.576 2.192 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1689901688 OQNCVLNJVKILCV-ROUUACIJSA-N 443.573 2.457 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccc(F)c1)N(C)C 1690003117 DKJJEZKCLFIAAT-ZJSXRUAMSA-N 439.535 2.445 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cc(F)cc(F)c2)CC1 1690110296 GBERNDQBRMJJQY-UHFFFAOYSA-N 444.530 2.473 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(Cl)cccc2OC)CC1 1690112482 YRFMMKVZOAMPJV-KRWDZBQOSA-N 447.967 2.468 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(ccnc2O)C1 1690299530 VXCJWVJTLKYRFO-UHFFFAOYSA-N 428.537 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(C)C)C1 1690717921 VITNFDMVBLYNCQ-SFHVURJKSA-N 449.533 2.315 30 10 IEEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1690973999 DRDOEHZKCOSYPQ-UHFFFAOYSA-N 446.559 2.398 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@H](C)C1 1698060276 ASVMJJYHJCQAEU-ZWKOTPCHSA-N 431.585 2.106 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1705480003 NNSFMKYHAVTWHS-CYBMUJFWSA-N 442.321 2.319 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705570701 STGNWDQWGNZEMB-IBGZPJMESA-N 427.574 2.327 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@@H]1C 1705607046 OKDKUYRKUGUXKT-HTAPYJJXSA-N 445.589 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)OC)CC1 1705646237 CEZFVJKIXNZLGR-UHFFFAOYSA-N 425.533 2.345 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705657952 XCGGZAOWTRIIAI-UHFFFAOYSA-N 438.561 2.110 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705664922 FUMKOYZNYQICAO-BBWFWOEESA-N 446.577 2.144 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C1CC1)N(C)C 1705836845 HXNGGKXZLVUGKS-LJQANCHMSA-N 432.594 2.158 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705907069 YVOFVOYLUZFMFV-QAPCUYQASA-N 449.939 2.053 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1706748368 IJUQBJQMYUVUPV-CZUORRHYSA-N 434.504 2.247 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1710267806 BNSUZGXLFVHCBR-DENIHFKCSA-N 437.592 2.316 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(OC)cc1 1710730964 AGTGXUXUPJDRAJ-UHFFFAOYSA-N 433.516 2.465 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCn2cncn2)c1 1722305230 NTJKKXORHDVWJX-UHFFFAOYSA-N 430.472 2.194 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OC2CCOCC2)c1 1722396577 ZPWTVGYWGULBMZ-UHFFFAOYSA-N 445.527 2.143 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OCC)c2ccccc2)CC1 1722429166 HWTMWSNOXCJYBA-NRFANRHFSA-N 436.560 2.047 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 1722447752 NBKAKBYQXWGQLB-HXUWFJFHSA-N 437.544 2.113 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722460598 YREQQQFXEBCZST-FHWLQOOXSA-N 449.621 2.254 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722561609 UREXXEOGQSSQBJ-ZWKOTPCHSA-N 432.546 2.045 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1)C1CC1 1722652584 JHZSWSHURLCSSX-OAGGEKHMSA-N 430.553 2.482 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(COC)CC1 1722688844 MTAHEDIUCALSES-UHFFFAOYSA-N 449.353 2.131 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1727126670 GTFTVLKXJIMGCW-GHTZIAJQSA-N 430.578 2.499 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1728297798 UJQJWENPHZDEMH-MOPGFXCFSA-N 427.530 2.175 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1729647390 DSVLPBRDRNLRHN-WMZHIEFXSA-N 436.516 2.036 30 10 IEEE COCC1(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CCOCC1 1730519853 QUVBTOPLGNPCPG-PGRDOPGGSA-N 435.569 2.358 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1c1cnn(C)c1 1730831163 IRDJFXJGJXYLBK-PKOBYXMFSA-N 442.568 2.145 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(C)c(OC)c1 1730878466 VONFQCDRSLDJEJ-PKOBYXMFSA-N 429.521 2.291 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740550907 DYGAFRHTHLZJRA-VQIMIIECSA-N 432.546 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740557253 IELDVGPAHPRVDI-ROUUACIJSA-N 440.573 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC(C)(C)N1CCOCC1 1740659344 XQSXNIMTVFREHF-UHFFFAOYSA-N 435.572 2.473 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)CC 1740666408 ONUKFHJTZYDXLZ-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852076 IFMFXPZDFHCCTI-WMZHIEFXSA-N 449.596 2.262 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)n1 1740941603 OMVCIEZVCJMCRC-HXUWFJFHSA-N 442.564 2.438 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2oncc2C1 1740953210 YPTMHDBTRSUJBQ-CQSZACIVSA-N 426.452 2.410 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1740955098 LSZVABQXSYKFJE-QGZVFWFLSA-N 434.500 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740955476 VQZDYEQLVRMOPD-GOSISDBHSA-N 447.543 2.291 30 10 IEEE CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1741315940 BGXLYNZZMDZLNW-SFTDATJTSA-N 442.539 2.094 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1 1743198012 MWJQEXOOMFQPEG-KRWDZBQOSA-N 430.516 2.381 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1743890213 IFPRAWALEDGCJT-QFBILLFUSA-N 437.548 2.084 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1748671591 LDWWATLPZWOORK-SJLPKXTDSA-N 446.573 2.288 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCC1 1748680627 UWHVNNZJSPCMFK-OAQYLSRUSA-N 436.604 2.406 30 10 IEEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1748702278 AWEUWPHVUCGAEH-UHFFFAOYSA-N 433.516 2.471 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1748756340 KECWPEQMSRIXRJ-UHFFFAOYSA-N 432.532 2.111 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C(C)C)N1CCOCC1 1748773960 NKIDSPKHJSVQKP-QGZVFWFLSA-N 435.370 2.462 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(OC(F)F)c1 1748776281 CZDOOZTZQOYMBT-UHFFFAOYSA-N 447.467 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(CC(C)C)C1 1748842641 QDOBGJZRZPFJLB-LJQANCHMSA-N 436.560 2.447 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1748993394 WYBRJUDTUJXYED-PMERELPUSA-N 431.581 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](CC)N2CCCC2)CC1 1749008848 HJUFGCLBLMOPLD-NRFANRHFSA-N 435.576 2.180 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749020061 KEHCUVQJUJVRBE-SJORKVTESA-N 426.546 2.297 30 10 IEEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1749372768 KUNDOSZEEXIAEN-QRVBRYPASA-N 426.496 2.129 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N(CCO)Cc1ccc(Br)s1 1749640301 NBKSYCVVYHZPLX-UHFFFAOYSA-N 440.367 2.409 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1749671803 JSBMQRVZIKQDPV-UHFFFAOYSA-N 431.924 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1749736032 YKMBWCGFAWLJAD-SQNIBIBYSA-N 438.594 2.167 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CCCn1cnnn1 1750522168 UKENJQWVRRTUSN-QZTJIDSGSA-N 427.557 2.404 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1750981049 VTPXSQSAUBYWDE-UHFFFAOYSA-N 431.500 2.395 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)C)C2)cs1 1751782907 OQLQPQDKSSBEGP-MJGOQNOKSA-N 429.594 2.483 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752657271 JTVQCNCRUCSRBC-KCQNCDFXSA-N 428.537 2.322 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2CCCCC2)CC1 1760251647 FOGBYEWSLLCESS-UHFFFAOYSA-N 443.640 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N2CCC(C)CC2)CC1 1760273502 WRWDCRFLZMOBFX-PZJWPPBQSA-N 442.608 2.216 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760292700 GKSQDJQLTYRGNL-JOCHJYFZSA-N 438.557 2.264 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1760294989 KRCZWUQFARGVID-FXAWDEMLSA-N 449.602 2.021 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760373815 CDWGEQYINPHCBB-QZTJIDSGSA-N 447.948 2.382 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760451781 STNOULSWIAHMPY-XXBNENTESA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760525140 VVNOAFKEGUGHFK-SFHVURJKSA-N 427.524 2.442 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1763401786 HTNAMWAMGCSUCA-VOIUYBSRSA-N 447.543 2.270 30 10 IEEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1767982787 CJQHFOCBSRQXNR-LJQANCHMSA-N 438.532 2.275 30 10 IEEE CO[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768034729 NFQZHACUXXIMGV-MRXNPFEDSA-N 434.500 2.469 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769094413 HDVXWAAVKBSHAH-UHFFFAOYSA-N 435.488 2.154 30 10 IEEE COCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1769177889 GRKCFYLECSHVRM-HXUWFJFHSA-N 425.472 2.035 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1769844875 FBUZAWWAKUUXGB-QUCCMNQESA-N 442.568 2.289 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1770339524 IUUWKIIWJVWKQM-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1772564550 JCRBZTCPWIVCRA-LSDHHAIUSA-N 427.571 2.106 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1848927507 KPUXDGHXIVJVRJ-UHFFFAOYSA-N 431.558 2.483 30 10 IEEE Cc1cccc(OCC(=O)N2CCC(NC(=O)Cc3cc4c(cc3C#N)OCO4)CC2)c1 1852858345 IPTWRLORBGSDHZ-UHFFFAOYSA-N 435.480 2.324 30 10 IEEE Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2nc(-c3ccccc3)ccc2C#N)CC1 1853348467 BJXMZXGPBJVQOH-UHFFFAOYSA-N 435.509 2.432 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3cccc4ccccc34)C(=O)O2)CC1 1856604656 XZBZLPIDEHRMNY-IBGZPJMESA-N 427.482 2.366 30 10 IEEE N#Cc1ccc(NC(=O)c2nc(C(=O)N3CCC4(CC3)OCCO4)n3ccccc23)cc1 1858244672 MIQUWGSQMAMVJN-UHFFFAOYSA-N 431.452 2.437 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCC(=O)c2ccc(C)cc2)cc1 1858964792 UKTDTRJCWAWKAW-UHFFFAOYSA-N 442.493 2.322 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862563341 AUSXWACALURZSZ-HXUWFJFHSA-N 439.468 2.000 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 1866581467 CUMRTBHGHKLTLS-AZUAARDMSA-N 425.510 2.049 30 10 IEEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1870149590 LOHFSAMOPNMXBJ-QGZVFWFLSA-N 429.484 2.192 30 10 IEEE COCCCn1cc(OCC(N)=O)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870182723 ZSQUHJQILVNMPG-UHFFFAOYSA-N 430.530 2.233 30 10 IEEE COc1cc(/C=N/n2c(S)nnc2CNC(C)=O)ccc1OC(=O)c1ccccc1 1874560151 JACIABIXTNZIQV-SSDVNMTOSA-N 425.470 2.313 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 1985009453 QCPGRHZYFSSUIA-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE CC(C)(C#CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)NC(=O)OC(C)(C)C 2023917774 NONSLGKCAIYPJL-JKSUJKDBSA-N 439.553 2.027 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903256 FLGCKTVCXNNNFL-OWCLPIDISA-N 442.387 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247920993 HPIITPQHBQFMTM-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247986682 YSQJHZPECVZMNI-BZUAXINKSA-N 442.387 2.349 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(N=c2ccc(C#N)c(N)[nH]2)C1 2250350270 QUOKLHHTPNUCHG-UHFFFAOYSA-N 432.525 2.226 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCOC1 2250667740 AEZSFAFDFZAFEI-WOJBJXKFSA-N 428.533 2.249 30 10 IEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255545316 OJLILHPMRRNRIT-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)C(=O)OC(C)(C)C 2255648941 ORILGIHCLKAFNF-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2255696957 BHKCVGIIPZMIEI-LJQANCHMSA-N 426.244 2.269 30 10 IEEE Cc1nc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H]2C)ncc1B1OC(C)(C)C(C)(C)O1 2256621399 UMHGIJBQUPOUHA-QKVFXAPYSA-N 432.330 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267148308 XWOYQEBYUQGQTB-CLWVCHIJSA-N 446.357 2.131 30 10 IEEE CCn1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267483078 NHDKRMHPOXLJKJ-LJQANCHMSA-N 438.381 2.454 30 10 IEEE C[C@H]1C[C@@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2267483310 QMJDLVZYQBFDCE-PKOBYXMFSA-N 438.381 2.454 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267505306 GJHBPHKMRJWBKY-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267517171 OJXFFYNFWZEPAO-HUUCEWRRSA-N 448.373 2.378 30 10 IEEE Cc1c(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528972 WFYIKCKOONOYKB-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278733035 PLXFWYUSWPHZIW-SFHVURJKSA-N 442.331 2.452 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2296271044 CEZORBYPPLVXHL-KURKYZTESA-N 439.350 2.385 30 10 IEEE CC#CCN(CC(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300542394 LOURCCLTPBYCIT-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302961194 VRVOAHOAHULDAS-AUSIDOKSSA-N 448.585 2.097 30 10 IEEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 20423822 VKZQWCGWXAKZMT-UHFFFAOYSA-N 446.341 2.082 30 10 IEEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1-c1cccc(Cl)c1 59794784 NXMFLNNHWFFLOS-UHFFFAOYSA-N 443.920 2.220 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1cn(C(C)C)nn1 427066611 GFSQIZRQZUHRFE-QGZVFWFLSA-N 430.490 2.123 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1Br 433349873 ASAHXXNDTHLPFO-DLSQHGJNSA-N 435.343 2.108 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)sc2C1 435101723 QPYHRKQWBOSRBY-CXAGYDPISA-N 437.525 2.390 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1SC[C@H](C)C#N 441237129 REWUSJYRJOXVAS-JNRNKGNBSA-N 445.541 2.302 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 460810089 PTYPSIYXUFVDFT-VQIMIIECSA-N 431.562 2.311 30 10 IEEE Cc1c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cccc1S(N)(=O)=O 473579171 UZKMRLWQNQRNHQ-GOSISDBHSA-N 432.933 2.319 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)cc1 503645579 WWXZWXSNBORFNI-UHFFFAOYSA-N 440.525 2.018 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3nc(C(F)(F)F)cs3)C2=O)cc1 521282236 IKDBFNSSNSKAOS-GFCCVEGCSA-N 437.403 2.284 30 10 IEEE N#Cc1c(CCCNC(=O)NCCCNC(=O)c2ccccc2)nn(-c2ccccc2)c1N 527203651 LEOAAWBSEKPUGA-UHFFFAOYSA-N 445.527 2.378 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)CC1 533853359 GXMGOVRZAMOGSK-UHFFFAOYSA-N 433.472 2.285 30 10 IEEE CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 539283456 TWWRTJRZEGXBAU-UHFFFAOYSA-N 435.484 2.196 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543888054 UNBZSJVWFUYWPL-HNNXBMFYSA-N 436.925 2.333 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 549286878 CWYYGRZEWIMCCX-HSZRJFAPSA-N 436.564 2.135 30 10 IEEE CS(=O)(=O)c1ccccc1CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 550188960 PATPJPZRQFCMKQ-QGZVFWFLSA-N 429.523 2.044 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4ccc(Cl)cc34)CC2)cc1 569154619 RUQULSSYDSGIEM-UHFFFAOYSA-N 429.889 2.235 30 10 IEEE N#Cc1nccnc1OC1CCC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 585355265 BVAIDUZRZRJLKK-UHFFFAOYSA-N 433.468 2.231 30 10 IEEE COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 611099696 ZSMHRFRTTGXELJ-UHFFFAOYSA-N 435.415 2.233 30 10 IEEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728425264 MBAKGAKMWFWAHC-SFHVURJKSA-N 446.492 2.136 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)c1 730140181 DMYVTNJIAVFIID-SFHVURJKSA-N 429.546 2.491 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1C 732795769 XEFMDOYYIHDUAX-UHFFFAOYSA-N 449.580 2.404 30 10 IEEE N#C[C@H]1CN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CCN1Cc1ccccc1 733946750 NNWFZHWLVKAUCX-HNNXBMFYSA-N 438.431 2.225 30 10 IEEE CSc1cccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)c1 734293672 HGTZGJIDLNJLFF-HNNXBMFYSA-N 429.523 2.447 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cc(Cl)c(-n2cnnn2)cc1OC)c1ccc(C#N)cc1 740217964 NPVGEOISFFEPIL-KRWDZBQOSA-N 427.804 2.267 30 10 IEEE COC(=O)[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)c1ccc(C#N)cc1 741735276 YWDHYRHYHYPAEF-SFHVURJKSA-N 425.470 2.215 30 10 IEEE COc1ccc(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C#N 747055881 ZLGPDFFFKNDZFL-SFHVURJKSA-N 445.453 2.372 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H](NC(C)=O)c2ccccc2)c1 749503513 BAXJACRCUUMRRI-HSZRJFAPSA-N 433.508 2.127 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C[C@@]2(C)CCCO2)C1=O 756070438 PDQDVSUANFKKQZ-DYESRHJHSA-N 436.553 2.394 30 10 IEEE COC(=O)c1cccc(COC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1C#N 756186442 LDJNAFVHPFUNDO-UHFFFAOYSA-N 428.344 2.390 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)ccc21 759392835 RHBRRZXBBNHDFX-OAQYLSRUSA-N 432.480 2.396 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760376202 VTFLIKOAOOUSPM-UHFFFAOYSA-N 431.945 2.175 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 764753484 AWDGVQDJZUVAQI-UHFFFAOYSA-N 426.281 2.241 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 771587668 ZVFNFWLDTCWMKB-CYBMUJFWSA-N 434.440 2.260 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC(C)C)cc3)c2=O)c1 776755468 BHTNKACAYCBZMX-UHFFFAOYSA-N 432.505 2.425 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cc(F)ccc2OC)C1=O 777466592 AMZZIFIJSRSCLN-QGZVFWFLSA-N 444.488 2.201 30 10 IEEE CC[C@H]1C[C@H](C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1 779755191 XOMZHICRIKJXCM-CABCVRRESA-N 426.495 2.219 30 10 IEEE Cn1ccnc1[C@](O)(CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(F)(F)F 783865296 BWGYCUFYBFWFCM-JFIBYHEFSA-N 437.422 2.333 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCc1cccs1 783957465 MOJLWZXQURVMLP-UHFFFAOYSA-N 435.559 2.488 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCC#N)C1=O 784126059 UAHMEQNGNQVZNJ-GOSISDBHSA-N 426.546 2.252 30 10 IEEE COc1ncc(COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)n1 798580872 WHLKTHOMQUXPNA-UHFFFAOYSA-N 432.502 2.136 30 10 IEEE COCCOCc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)cc1 808131025 FNIAWGVUFNANPV-UHFFFAOYSA-N 431.517 2.397 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ncccc3C)n2C[C@@H]2CCCO2)n1 812308928 PIZHLVIWCXWOGC-FQEVSTJZSA-N 435.532 2.310 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1)C1CC1 814705756 MCNMKUMIISDGMY-RTBURBONSA-N 432.590 2.419 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCN(C(=O)C(C)C)CC2)C1=O 917702841 WGHHCDQTMYZNJN-SFHVURJKSA-N 441.557 2.273 30 10 IEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NC2CCCCC2)n1N 1083984013 CLSNYNTUOZUCHT-UHFFFAOYSA-N 433.586 2.373 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(Br)cc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1134056948 WQSSXBGONORYMF-XPTSAGLGSA-N 437.237 2.478 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)[nH]n1 1143492378 SIRQVZOBTLDCHL-DQRAZIAOSA-N 431.456 2.177 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)OC)s1 1149304552 NEABLKOHZUEASW-KUHUBIRLSA-N 436.555 2.422 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)s1 1162748451 KBBIMJZVVYBKID-UHFFFAOYSA-N 435.506 2.242 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1198761084 DOLYLJWYXANPNP-HXUWFJFHSA-N 435.613 2.258 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1248374564 CFKBHESGMDAPIY-NHCUHLMSSA-N 440.544 2.324 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1251454528 CKEYKBPDLFFMPM-MRXNPFEDSA-N 426.452 2.047 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(-c4nncnn4)cc3)CC2=O)cc1Cl 1277986788 SPLKSOUQYJKBMA-INIZCTEOSA-N 433.859 2.128 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1278476874 GOKWUKMKAJMWFM-ZDUSSCGKSA-N 446.978 2.358 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1286453125 WPZXZCIPXHPCGV-MAEOIBBWSA-N 427.553 2.485 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC[C@@H]2C)n1 1286470742 CDYUMJVQOJXRIO-IRFCIJBXSA-N 442.564 2.285 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286504355 LXSNOKXDSVADLZ-LJQANCHMSA-N 449.584 2.184 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286507552 JZFVBJSMUKUUDO-QFIPXVFZSA-N 437.573 2.116 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1286686600 BJGQSEITRIDHAT-DLBZAZTESA-N 443.639 2.299 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1291225546 SJRUDKLSMCOYML-DSGGYQJVSA-N 449.540 2.285 30 10 IEEE N#CCN(C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1292148993 OCULYJHADPIRQG-OAQYLSRUSA-N 432.480 2.284 30 10 IEEE CCOCc1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297135774 JYMXSFYLGHCYOJ-DVSFIDLUSA-N 428.537 2.358 30 10 IEEE C[Si](C)(C)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1297836324 JCHIZZYGGUGDSY-UHFFFAOYSA-N 429.618 2.367 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1299098903 VQPNPGAKTFYYQM-QGZVFWFLSA-N 445.483 2.204 30 10 IEEE C#CCCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424856 NNKIVIXEIORJRL-WMZHIEFXSA-N 431.581 2.473 30 10 IEEE C#CCCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300425763 WZXWXLGQCSXVRY-BBWFWOEESA-N 430.553 2.177 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300489985 WVIMUTHLKDPLKQ-UYAOXDASSA-N 441.601 2.363 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300497765 DEXOFSHWKZFZRW-AZUAARDMSA-N 448.564 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(S(C)(=O)=O)cc1 1300664014 MYTQTYUSCBPALH-UHFFFAOYSA-N 439.541 2.186 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300884604 KYLBJTFNKQHZGY-BQJUDKOJSA-N 431.581 2.458 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)C1 1300898743 ZZCXXFUKKSSEPH-PGRDOPGGSA-N 425.533 2.425 30 10 IEEE C=C(Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1301007926 TZPZCCXBECQJIZ-UHFFFAOYSA-N 447.543 2.428 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301055340 ZDDMOJBPMTWWSY-SFHVURJKSA-N 443.527 2.431 30 10 IEEE CC(C)(C)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)on1 1302107744 SCGHWCWWGYWSQR-UHFFFAOYSA-N 440.529 2.385 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)C1 1302979395 PUVOGELKTFKJCT-JXFKEZNVSA-N 435.500 2.394 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCCC1 1314885673 DRQCZEJYLXEQQJ-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1316347136 BMJLRZJFEIQRGG-LJQANCHMSA-N 429.546 2.114 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1358913911 CFHSCBDQVVUWSY-IBGZPJMESA-N 444.605 2.175 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1358957948 DMOIQZZAYMAOPX-INIZCTEOSA-N 445.570 2.481 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358959528 KYUSBRGMPGENND-ROUUACIJSA-N 442.541 2.273 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CN(CC(C)C)CCO1 1358979610 RTUAEEUZLXQOQG-NZQKXSOJSA-N 449.555 2.220 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359011693 IRQJXLFDFZUSML-PMACEKPBSA-N 436.539 2.070 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1359216734 CJLJOZYRCBRGAG-IRXDYDNUSA-N 448.568 2.220 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1359265920 OSHUFDNDNHGRLM-UYAOXDASSA-N 438.580 2.101 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359296892 YAWKVFYKYOLICG-ROUUACIJSA-N 441.532 2.270 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CC2CCC2)CC2CC2)n1Cc1ccc(C#N)o1 1360666662 RTSQBNCILWYWQK-CQSZACIVSA-N 432.550 2.418 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2csc(-c3ccn(C)n3)n2)ccc1F 1455774782 QIGXMJIPQKIJAR-UHFFFAOYSA-N 435.506 2.077 30 10 IEEE Cn1nc(I)cc1C(=O)Nc1ccc(Br)c(C#N)n1 1461098853 FPRGWLVZXQPICE-UHFFFAOYSA-N 432.019 2.306 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1464849469 RJFSKTFRFNDECN-FQEVSTJZSA-N 448.608 2.134 30 10 IEEE COc1ccc(CN2CC[C@@H]2CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470033267 PMDSNYFSQDLQEN-FYYLOGMGSA-N 447.539 2.241 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1471423988 HDSCWDBLGKVHLC-YESZJQIVSA-N 443.552 2.262 30 10 IEEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1 1471823442 POXRFEJJSRGQRI-UHFFFAOYSA-N 432.464 2.256 30 10 IEEE CC1(C)Oc2ccsc2[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1O 1478567006 CYSPCRHEONITPI-WDYCEAGBSA-N 440.525 2.293 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1503759574 BUOAPHAIGIVAHI-UYAOXDASSA-N 436.516 2.036 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1504610682 DKQADSOWKNUCIX-IAGOWNOFSA-N 431.468 2.103 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCCO)CC2)CC1 1505118197 FNWXAPKHFFKANG-UHFFFAOYSA-N 443.573 2.383 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)C1 1505142686 GLIRXZVGFMDONB-CQSZACIVSA-N 442.467 2.145 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507634835 QBUDFRGNZPFWJX-IBGZPJMESA-N 435.638 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507661150 OARMKQVPLVGBOY-DEOSSOPVSA-N 445.527 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnnn1CC1CC1 1507676498 NMAVOBNMCWKACY-UYAOXDASSA-N 436.564 2.104 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nncn1C 1507707379 VZAGTZUNMXTXCG-HNNXBMFYSA-N 425.562 2.394 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCC(F)F)CC1 1507729677 JVKNIXPTILCIOB-IBGZPJMESA-N 447.486 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cc(C)no2)CC1 1507742843 SGKJQNCEPYROCN-UHFFFAOYSA-N 436.491 2.319 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1507750553 YNNHOQCRWGNJQS-UHFFFAOYSA-N 449.584 2.444 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCCCC2)CC1 1507753513 GTCAUDGFVVLEJS-IBGZPJMESA-N 430.622 2.298 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](COC)OC)CC1 1507884196 FVGCVERAXFZFPH-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1508090962 KQQOPNZZHIVGOQ-UYAOXDASSA-N 443.523 2.409 30 10 IEEE Cc1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511847921 KEZMFDUZPPAPLA-DNTCVELPSA-N 442.907 2.424 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1cccnc1OC 1516588038 CNPUVDGAHJMXQA-UHFFFAOYSA-N 433.516 2.465 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1518430085 ACAPIMYODGRZGT-QGZVFWFLSA-N 444.561 2.118 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1539263270 CRFCCTZUNHYXGS-GOTSBHOMSA-N 446.599 2.456 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1539516981 GQZURBFSTCGMQK-ICSRJNTNSA-N 428.558 2.433 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1540169494 FHCDCIULDLQNLN-IBGZPJMESA-N 449.552 2.171 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540510725 HKXLGKGCHDQVFO-NVXWUHKLSA-N 445.520 2.002 30 10 IEEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2C#N)c1 1544062944 WENJFNFHMUKGFO-UHFFFAOYSA-N 429.274 2.059 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1548049256 HSGPSGMNAZJGTQ-IBGZPJMESA-N 431.500 2.364 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1555421682 YCSJZGGMZIXLBS-SRDOODBNSA-N 425.533 2.201 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)C1 1558330126 YOSCMCNDIMWBSY-MJGOQNOKSA-N 427.574 2.458 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1558825497 QPSYRESVTJOOEI-CQSZACIVSA-N 436.896 2.479 30 10 IEEE N#Cc1ccc(C(F)(F)F)nc1N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1559230887 DTTSCNBNRYCALQ-UHFFFAOYSA-N 425.436 2.129 30 10 IEEE COC(=O)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)Oc1ccccc1 1561879579 HWHZAXFALCXRKK-MRXNPFEDSA-N 428.388 2.476 30 10 IEEE C=CCn1cc(CNC(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)nn1 1564958334 OHZIUGGOSAAUOV-UHFFFAOYSA-N 433.538 2.213 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 1583811820 MZXMJZDIPLVVEO-UFYCRDLUSA-N 427.501 2.032 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cs1)C(N)=O 1587500906 KSEAFUYPCRRXHY-DYVFJYSZSA-N 447.561 2.200 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1588167116 WSJOLJYVKWSEEA-MBSDFSHPSA-N 445.564 2.210 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1588186582 ZCUYAQZOKGAUQN-RUZDIDTESA-N 449.555 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCn2cc(Cl)cn2)CC1 1588929785 GTBLCCGCXDSFGY-SFHVURJKSA-N 445.955 2.036 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1588983911 DDSJRHGPHHMZTR-MRXNPFEDSA-N 433.603 2.126 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1 1589481619 BDFLEWBIARSLEZ-APWZRJJASA-N 434.504 2.333 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1594492173 ULKNWMGLMXEJPO-MRXNPFEDSA-N 426.521 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595773032 NCEYPDVNMMLWHQ-QGZVFWFLSA-N 445.589 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1595831050 JPJUJDNOKDRSJX-NQIIRXRSSA-N 440.610 2.403 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595837814 FPEJMZNUNLWTHO-QGZVFWFLSA-N 438.561 2.021 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)nn1 1598174483 JZLSDCCWMFWCHG-IYBDPMFKSA-N 447.561 2.069 30 10 IEEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCn1cnnn1 1603529685 CCIMULICMWIJJG-UHFFFAOYSA-N 435.536 2.473 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(Br)c(C#N)n1)C2=O 1610905441 BTOXTBAGNHKPBG-XGISUXEOSA-N 434.294 2.401 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1611287588 XKEZTYBJIWMTKS-GFCCVEGCSA-N 443.371 2.219 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613113104 ALHPNHGHMHXNTR-WCAVRKLYSA-N 439.564 2.172 30 10 IEEE CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1614592552 MURQKMIXEVAJTQ-ZPHPHTNESA-N 425.449 2.226 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CN4CCCS4(=O)=O)c3)cc2C1=O 1617255301 IYZKWZHCYIGLHY-UHFFFAOYSA-N 439.493 2.256 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)cc1 1617910696 VUMNUDYENKMANV-NRFANRHFSA-N 442.493 2.093 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccnc2OC)cc1OC 1619210720 HFBVOOYCVVHPIN-KRWDZBQOSA-N 436.472 2.143 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC[C@H]2CCCO2)c1 1620349363 PANOLFVNBHVBHO-WOJBJXKFSA-N 438.532 2.104 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCSc2nccs2)c1 1620349785 WZKWPTXQAWYJDF-UHFFFAOYSA-N 425.543 2.392 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)c1 1622467917 VORWUVFTZHEJCK-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE CCN(CC)C(=O)CN1CCC(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1627060997 GBKIXQGVIYVIIC-UHFFFAOYSA-N 443.567 2.363 30 10 IEEE C=CCN(C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)[C@H](C)COC 1629221190 DWAKOIFDUXHOEI-SECBINFHSA-N 425.732 2.413 30 10 IEEE CCOC(=O)COc1ccc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1630101837 AYVUVNXLWYGMMJ-UHFFFAOYSA-N 448.472 2.037 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)ccc1F 1631608130 ZTABQIHKGFTZMI-GJZGRUSLSA-N 439.509 2.124 30 10 IEEE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1632702058 UYJGZRWDUPMKRI-MRXNPFEDSA-N 441.871 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1633870404 PIDCQHJZEHMSTM-AEFFLSMTSA-N 433.530 2.038 30 10 IEEE Cc1c(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)cnn1CCC#N 1635934688 ZNLVQEKSNFJPSF-SJORKVTESA-N 426.521 2.426 30 10 IEEE Cc1c(C#N)cccc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1641368096 SESIHIRZEBXNPT-NUJGCVRESA-N 433.530 2.475 30 10 IEEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)c(C)c12 1641881135 FPCREWUSIOKMRI-QGZVFWFLSA-N 433.516 2.181 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CN(C(=O)OCC)C[C@H]2CO)s1 1647735195 YTINIQIDVYGUJC-STQMWFEESA-N 433.983 2.404 30 10 IEEE C#Cc1ccc(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)cn1 1647784764 QTZZQHOORDYVHA-UHFFFAOYSA-N 428.533 2.431 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1648004690 BIISZCJBECFOOK-SFHVURJKSA-N 445.541 2.148 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)CC1 1648547599 GSEMLOITTLOLAB-OAHLLOKOSA-N 449.939 2.181 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCn3ncc(I)c3C2)cc1 1652510069 HOHMJWBTOPNQFV-AWEZNQCLSA-N 431.237 2.084 30 10 IEEE N#Cc1cn(C2CN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)C2)c(=O)nc1O 1653759645 FQEIWLHBUHCSJW-UHFFFAOYSA-N 425.832 2.145 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CSc3nc(O)cc(-c4ccccc4)n3)CC2)o1 1656918236 DHBCRMGIVLLLPX-UHFFFAOYSA-N 436.497 2.458 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2ccccc2Oc2ccc(C)cc2OC)CC1 1658788242 OGBSWZITENGLDJ-UHFFFAOYSA-N 429.542 2.381 30 10 IEEE CC#CC[C@H](CO)NC(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 1679162270 SAHCDNKBLNHJQX-GOSISDBHSA-N 431.514 2.070 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1CCCO 1689833995 UVZKDBQOHNILKZ-HOCLYGCPSA-N 435.370 2.340 30 10 IEEE C#CCCCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1689906621 PJYSANMMMPHXLZ-WIYYLYMNSA-N 438.594 2.137 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689986228 LGAVOOFSQCLFHI-GOSISDBHSA-N 439.541 2.151 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCS(=O)(=O)C1 1689993156 WUJLCKGVOTWGCM-QGZVFWFLSA-N 429.521 2.330 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1csc(C)n1 1690039880 VQZVKDSMYTXLNC-UHFFFAOYSA-N 443.540 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)c1cccs1 1690056404 RDFYNADEMOLZCT-LQBOVUBWSA-N 428.558 2.434 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C 1690155854 PGSMKAHTFXXKNL-OAHLLOKOSA-N 433.965 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CCS(C)(=O)=O)C1CC1 1690244238 VFQBRZOYNBSLKG-APWZRJJASA-N 433.578 2.278 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690419017 FBRUHZZCKCWBCL-INIZCTEOSA-N 425.599 2.422 30 10 IEEE C=CCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690653394 ORVAXPBMTMOMAG-QFIPXVFZSA-N 432.569 2.233 30 10 IEEE CC(C)COCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1692446864 NRPMPNAYEXSPBZ-OAQYLSRUSA-N 439.499 2.425 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1694135409 NHTROOGNRBMUFG-SFHVURJKSA-N 434.552 2.062 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(C)c(OC)c1 1698256170 ZPTPHFOQCINGLK-ZVDOUQERSA-N 441.532 2.291 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1698492590 DNKOFCXUFJYMHD-MRXNPFEDSA-N 445.405 2.453 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN1CCCO 1705485848 QMZWRFJDBGQCOD-MSOLQXFVSA-N 427.549 2.267 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1705732531 BZOQBMPKKZRBMM-UHFFFAOYSA-N 428.537 2.398 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705738283 RNHOZKGXRJJNAS-DENIHFKCSA-N 444.624 2.202 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCOC1)c1ccccc1 1705740952 BXIVONKXRXCZFW-ROUUACIJSA-N 433.578 2.465 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705802582 PCQLJJHTXXQESM-QFIPXVFZSA-N 434.585 2.382 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC(=O)NCC1CC1 1705859859 GZBAQQGXNAAYPI-UHFFFAOYSA-N 428.500 2.326 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1705870316 FYSBDRXIFNNQIS-UHFFFAOYSA-N 445.325 2.466 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1705899683 CPOPAFXIPRTGDD-UHFFFAOYSA-N 445.527 2.171 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1 1705989697 ABSOAJPPHDYAMC-SFHVURJKSA-N 428.587 2.334 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1706068273 HLDWGXXACHDRSE-KRWDZBQOSA-N 447.609 2.131 30 10 IEEE Cc1cccc(OCc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)c1 1707626753 OUYNVVPOSFZIJB-UHFFFAOYSA-N 434.500 2.471 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1711104720 FPGKECOAUXFYPP-UHFFFAOYSA-N 439.545 2.011 30 10 IEEE COc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NCC(F)(F)F 1712000867 DZFAYMOGBXALIL-CYBMUJFWSA-N 440.426 2.283 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1NC(=O)CC1(C)C 1712454482 OEXUPCFFYDAFNS-GOSISDBHSA-N 446.502 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1722276672 JHTXMZPKRANSLN-RYUDHWBXSA-N 445.467 2.135 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(=O)N(C)CC)c1 1722304988 KILSZVXCPWNXMU-UHFFFAOYSA-N 434.500 2.381 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1722332655 NQUYYRUHAARJEG-QUCCMNQESA-N 428.558 2.480 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1722492282 DZWHZOGQUBSIKZ-FTRWYGJKSA-N 441.532 2.255 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1722511412 ZBUHEDUPZMJALH-VQIMIIECSA-N 430.578 2.317 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3ccnc32)CC1 1722575019 VYRGXRBSTYUSQX-DOTOQJQBSA-N 433.582 2.065 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722691670 YHDSEBMVGSSYCL-QHCPKHFHSA-N 441.532 2.173 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722861903 DQRKJXODSNPQQP-CABCVRRESA-N 436.969 2.476 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 1723554908 DTMKWHQCMWLLJZ-VQTJNVASSA-N 449.559 2.207 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1723780188 OCIGLIBDBDHBIY-FUHWJXTLSA-N 433.507 2.358 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1723854514 RVCRLMOWQKLYPN-BBWFWOEESA-N 435.573 2.275 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCCn1cnnn1 1723976967 IIVXJPRFTPLYFH-OAHLLOKOSA-N 425.472 2.374 30 10 IEEE Cn1cc(C[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C2)cn1 1729577938 PKWGXGQGMKLFAC-LJQANCHMSA-N 435.532 2.018 30 10 IEEE COc1ccccc1OCc1nnc(N(C)CC(=O)NC(C)C)n1Cc1ccc(C#N)o1 1730314971 BQASRXWXHSXVCD-UHFFFAOYSA-N 438.488 2.339 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCNC(=O)C2CCC2)CCO1 1731186969 IBYRNIMONOUURJ-KRWDZBQOSA-N 442.495 2.031 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1740605782 WWKOFESIAZUWHV-SFHVURJKSA-N 426.565 2.058 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1740622057 SWSGRIUZEMPNHS-KRWDZBQOSA-N 431.562 2.030 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1CCOCC1 1740639300 TYROINKVSUFHDB-UHFFFAOYSA-N 433.560 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1ccc(NC(C)=O)nc1 1740643412 INUIFQAUCVGUBA-UHFFFAOYSA-N 432.459 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2ccccc21 1740646186 RPYVGLFOTXTZQZ-ICSRJNTNSA-N 439.585 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCOC[C@@H]1OC 1740646821 DFNOSFLTXXRKBL-GCJKJVERSA-N 438.528 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)COCC)CC1 1740704733 SVUDGXHIWANCFY-UHFFFAOYSA-N 426.565 2.312 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC)[C@H](C)C1 1740951439 FZYMLOOBZDVKCI-IAGOWNOFSA-N 430.528 2.390 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(CC)C1 1740960482 SNWJAOQMIFOPIH-HSZRJFAPSA-N 438.580 2.381 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1748686184 KGTJNBYXHIDXDJ-DUPNKOKHSA-N 448.527 2.404 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 1748734645 KFUFEXBJUZGXMI-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1748751827 MZVQGLNMUMNZAA-WOJBJXKFSA-N 428.558 2.389 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748815979 VCJZJHCMTSSMBK-AZUAARDMSA-N 433.622 2.294 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2nc(C)no2)CC1 1749000307 RBGFAOWZGOEYSM-UYAOXDASSA-N 441.580 2.276 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749049199 YYWTUHRYPMFAPA-HNNXBMFYSA-N 431.493 2.003 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749122422 VUEROHITPOFZID-ZCNNSNEGSA-N 441.557 2.421 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1749429755 NYQQFYIQQYOXFE-MRXNPFEDSA-N 425.493 2.430 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1749756249 VODNJTYRSYZDDX-QZTJIDSGSA-N 440.635 2.352 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)[C@H](C)C1 1749852922 WWDQPBQNTZTMGO-UTKZUKDTSA-N 438.532 2.069 30 10 IEEE CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1750058456 CVZOULPVJHEPBR-QGZVFWFLSA-N 440.529 2.499 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1750289876 HAGOMASSLRPWOS-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCOC)CC1 1760267525 PJAMQDUIXVJAQQ-UHFFFAOYSA-N 430.940 2.386 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760427778 IILCWMMFBZGZNF-MOPGFXCFSA-N 449.621 2.279 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760516087 JGPKXTDIMRZJSA-FGTMMUONSA-N 425.489 2.236 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(O)(CC)CC)C1 1760537678 QJBPUBMORLEKJC-LJQANCHMSA-N 438.536 2.253 30 10 IEEE CCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763735662 IEPDMPINTJVINJ-XXBNENTESA-N 439.564 2.316 30 10 IEEE CCN(CC1CCC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1765150933 ADRHRYVRMTZFTH-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1767181655 YCMCZOKBIBHQLA-CEXWTWQISA-N 449.559 2.135 30 10 IEEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)C1 1767516356 XDZGSBJYOPJQLV-VGOFRKELSA-N 446.502 2.277 30 10 IEEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1770149625 YVXBBTFURXZREF-RTWAWAEBSA-N 441.532 2.285 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1770578503 VKCIJDHQBLNIIX-GOSISDBHSA-N 449.602 2.495 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2CCCO)C1 1771527702 CRGNCHGIZHBXBC-NQIIRXRSSA-N 443.483 2.142 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cc1C#N 1849776485 NZKHKANYPWITMX-FQEVSTJZSA-N 441.557 2.002 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)CC2)cc1 1849790367 UYVUWVSHTXPPIE-UHFFFAOYSA-N 433.464 2.429 30 10 IEEE Cc1nn(C)c(C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)c1Cl 1851820996 RSQJKKGGABXZFC-UHFFFAOYSA-N 429.333 2.343 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 1852080300 GFJADZAUNKPTKE-UXHICEINSA-N 435.484 2.132 30 10 IEEE CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1853207099 AGRPQSXVIBOJMR-OAQYLSRUSA-N 427.526 2.089 30 10 IEEE CC(C)S(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCc3ccc(C#N)cc3)C(=O)O2)CC1 1855108366 KYJMOMIRMGHEMQ-IBGZPJMESA-N 433.530 2.288 30 10 IEEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1858111543 QSARYFOQZMZGJJ-KRWDZBQOSA-N 441.557 2.327 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1C(=O)O 1862607957 BSXBZVDMUACHSX-LJQANCHMSA-N 439.420 2.381 30 10 IEEE CCCN(CCC(=O)OCC)C(=O)CNC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868782581 KKIXXAZDUPLYOX-SFHVURJKSA-N 448.589 2.333 30 10 IEEE CCCCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCNC(C)=O 1870350188 UKHLBZTYODZXAH-UHFFFAOYSA-N 440.544 2.029 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN1CCC(O)CC1 1870653629 PFAHTXLZSRKDCM-UHFFFAOYSA-N 445.947 2.340 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN(CCOC)CCOC 1870707938 QLWSENFFDZQRDO-UHFFFAOYSA-N 443.544 2.455 30 10 IEEE COc1cccc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 1874341028 ZPXASDSMANEHME-FPQGOQEYSA-N 433.534 2.073 30 10 IEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 1891899473 VPOCERMCVILLQZ-QZTJIDSGSA-N 448.479 2.352 30 10 IEEE C#CCN(C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1984760603 WHEYXGAWSYQUGF-LJQANCHMSA-N 434.558 2.463 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CCNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2033804946 YNLYDSXJKLPCHF-UHFFFAOYSA-N 432.370 2.447 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751777 IGUXPLPJKWTYEM-WMUXEFRJSA-N 436.358 2.442 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255615089 JDWREDPFTILQCI-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC)NC(=O)OC(C)(C)C 2255625991 ZQEVKSYEAHCRFJ-CQSZACIVSA-N 436.362 2.235 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644675 BLXAMZPTRPTJHI-WDEREUQCSA-N 447.288 2.114 30 10 IEEE Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255826296 NRZUQLGSHYKISD-UHFFFAOYSA-N 426.370 2.232 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843991 OSSSDJNRFKUJAM-OAHLLOKOSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255940031 FKGBVHWSMMLSRL-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2256623764 SMGVFIYWAIDLMS-UHFFFAOYSA-N 426.322 2.403 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267093551 VSJXDQPYHQVQAY-DZGCQCFKSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267139710 KATFBSOVFGVDSJ-HNNXBMFYSA-N 446.357 2.371 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267184638 NVLVGLKREXTDDC-GDBMZVCRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267196270 OKQLEJVZSSPWEW-CWRNSKLLSA-N 446.357 2.084 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267493892 AMVYOGLIEVIUKG-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCCN1C(=O)OC(C)(C)C 2267501539 ZCWUWLNDALBICN-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268637318 BOZXQLZSMDJMRC-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE C=CCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc4c(c3)OCO4)N(c3ccccc3)N2)C1=O 2296348798 KRSGXIFCLIMEBA-QGZVFWFLSA-N 432.436 2.390 30 10 IEEE COc1cc(C=CC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc(OC)c1OC 2325559131 UJBZCWTXBUJGBU-UHFFFAOYSA-N 426.425 2.289 30 10 IEEE CCCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCCO)cc1OC 2330794634 FCCACSGTKQQUKJ-UHFFFAOYSA-N 435.550 2.458 30 10 IEEE C#CCOC[C@@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364178516 PXYVDRISCMAYKI-SFHVURJKSA-N 432.542 2.287 30 10 IEEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)c(OC)c1 37857417 RQNDZTMJJNEHHY-LPYMAVHISA-N 440.496 2.136 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 109937963 JPASXIJZGFSPDQ-SFHVURJKSA-N 434.477 2.365 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)n1 426511588 SXNXKAWMUXPBRJ-UHFFFAOYSA-N 446.467 2.325 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1occc1COc1cccc(C#N)c1 439931064 ZCRKQXJEXPJXFM-NCXUSEDFSA-N 438.436 2.295 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)c2)o1 461302565 UDGSPLKRZLFDBF-UHFFFAOYSA-N 429.440 2.939 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 464547645 KHFRCHZARMAORC-UXIGCNINSA-N 436.306 2.224 30 10 IEEE COc1cc(CN2CC[C@@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2)cc(OC)c1 480685663 BCMBCZJHXWZLFY-GOSISDBHSA-N 433.505 2.408 30 10 IEEE COc1cccc(OCCN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1 480736804 UVZJLAAUMODTEK-UHFFFAOYSA-N 433.505 2.232 30 10 IEEE COc1ccccc1C[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481237689 YVLYWHPTAILYQW-LPHOPBHVSA-N 427.526 2.467 30 10 IEEE COc1ccc(C(=O)NCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 500778460 GUAFOWHQZPEOSA-UHFFFAOYSA-N 429.480 2.194 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 505698308 UXCDFYBBCSTSPQ-MRXNPFEDSA-N 448.487 2.097 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 507723645 HLGGMYXHRJMQJJ-QGZVFWFLSA-N 429.590 2.306 30 10 IEEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508460147 APJAYVIIBXBLLP-LJQANCHMSA-N 425.533 2.427 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 516695541 LDIZEPGJPSVOCL-UHFFFAOYSA-N 426.380 2.129 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)c1 536593952 UYMXMKOENVZSMK-FQEVSTJZSA-N 445.585 2.406 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 542718900 GPERZRIELAAUEC-UHFFFAOYSA-N 433.421 2.144 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 549599419 XGQGBVYIMVNILX-QGZVFWFLSA-N 441.504 2.102 30 10 IEEE CSc1nc(O)c(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C#N 609113530 PRHHEMPGVBYZSP-UHFFFAOYSA-N 445.932 2.113 30 10 IEEE C#CCN(CC#C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 752153903 PABVLCGXXWHDFQ-UHFFFAOYSA-N 428.558 2.114 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(C[C@H]3CCCO3)c2=O)s1 752195699 ZYFSKJNNKAMYJJ-UONOGXRCSA-N 431.583 2.226 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2=CCCC2)cn1 753754737 YFQNENUWKPVMTO-SFHVURJKSA-N 432.594 2.403 30 10 IEEE COC(=O)[C@@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc(C#N)cc1 754695500 YXNPEQXCUOEUOX-NRFANRHFSA-N 427.526 2.488 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 764064986 WXGQJYNHJFHYAK-UHFFFAOYSA-N 436.896 2.397 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(=NOCc3cc(-c4cnn(C)c4)no3)CC2)cc1 768924681 ABUTZFRVNSDUSH-UHFFFAOYSA-N 445.501 2.441 30 10 IEEE C#CCN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[C@H]1CCS(=O)(=O)C1 772259095 YPGRKBQAURZPMJ-ZDUSSCGKSA-N 426.416 2.438 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 779858049 URIYOSOMTVMODK-LTGZKZEYSA-N 434.478 2.174 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 803522546 GJUPHOUTJQQYND-GOSISDBHSA-N 430.501 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(F)c3)n2C[C@H]2CCOC2)CC1 812385652 ZFYHONAQSRGVFI-QGZVFWFLSA-N 425.508 2.395 30 10 IEEE Cn1ncc(-c2csc(=NCCc3ccccn3)n2N=Cc2cnn(CC(F)F)c2)n1 814186860 RWDAOEILCPQIJJ-UHFFFAOYSA-N 443.487 2.227 30 10 IEEE C[C@H](F)CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 814709381 AUOYLUKUKZMPLE-WZJOAUHOSA-N 430.509 2.491 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1OC 917799445 YGEKETQQXZBGBQ-UHFFFAOYSA-N 428.473 2.205 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1124276383 LAVMUDKRFDNWLL-GOSISDBHSA-N 443.935 2.005 30 10 IEEE CN(C)S(=O)(=O)c1cccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1141269790 UFUXGTANNPINLJ-UHFFFAOYSA-N 449.573 2.204 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cc1 1147269573 DECNYPDJABMRLN-UHFFFAOYSA-N 446.916 2.268 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)C1 1154959647 VHCMUVNWMCYRKW-YSIASYRMSA-N 447.601 2.380 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)c1 1155334197 ZWYREURVMRZKPC-LJQANCHMSA-N 426.494 2.415 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)c1cccc(C(=O)NC)c1 1156044772 HECUUIXDEAILOY-SFHVURJKSA-N 442.541 2.307 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(O)(CN4CCCCC4)CC3)ccc2c1=O 1159119485 NECNICVXOKPNOI-UHFFFAOYSA-N 442.585 2.324 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC(N3CCOCC3)C2)c1 1164193200 GHBVNVXGESJGQU-UHFFFAOYSA-N 436.537 2.446 30 10 IEEE Cc1ccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1S(N)(=O)=O 1215447303 GOXRZSJUKMRNAY-UHFFFAOYSA-N 427.530 2.300 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(C#N)s2)(S(C)(=O)=O)CC1 1276440750 GJRGNPLDJQPMJC-UHFFFAOYSA-N 427.548 2.050 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1C 1286276709 SMFPTXYSUGKIHT-CQSZACIVSA-N 440.577 2.095 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1286290041 OPWRPBXRUOHXIX-HNNXBMFYSA-N 446.515 2.321 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286298180 GPDZASBFQVHGDE-BRIYLRKRSA-N 445.564 2.264 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1286298232 HMEGCQQVZWMKIY-CABCVRRESA-N 433.603 2.216 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCSCC)CC1 1286485131 VSKBXHIADMFWOD-UHFFFAOYSA-N 432.619 2.168 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286507642 CJUBTVGVJHFUCY-SFHVURJKSA-N 427.574 2.323 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCOCC1 1286529911 CYNAEZHIWPHJMQ-CNNODRBYSA-N 431.581 2.105 30 10 IEEE C=C(C)COCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1C(C)(C)C 1286614194 NWLNVTRJNYNKFH-UHFFFAOYSA-N 432.613 2.303 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286796262 RQANDFWGMOKJPS-IEBWSBKVSA-N 437.500 2.247 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCc4ncc(Br)n4C3)CC2=O)cc1 1289710686 APPGCMCSDFBHNU-ZIAGYGMSSA-N 428.290 2.001 30 10 IEEE Cc1nccnc1CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1290529108 DCGYBXBERPUOLK-INIZCTEOSA-N 432.536 2.119 30 10 IEEE C[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1291296406 LYOTUNPOGIEQGD-LPHOPBHVSA-N 431.562 2.360 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1292083408 DVPVQBYLSGWALN-VGOFRKELSA-N 431.585 2.047 30 10 IEEE Cc1ccc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 1298057050 ONJKMRKYOXWHGR-UHFFFAOYSA-N 426.244 2.489 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C)C(=O)OC 1299179321 PGQQBYCVPXWGFM-GOSISDBHSA-N 430.482 2.099 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300482167 DNDFUUYPEQFNEE-AEFFLSMTSA-N 433.578 2.204 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300492919 PRENMOKBVFSLEE-MOPGFXCFSA-N 443.573 2.234 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(N(C)C)Cc2ccccc2C1 1300672912 AOYPFHDVMQOCEA-UHFFFAOYSA-N 444.583 2.449 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)CC1 1300766776 KAQMEHZDOOIEOS-UHFFFAOYSA-N 427.603 2.357 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2nc(C)cc2C)CC1 1301125306 NHMBXZCJSKKMQO-LJQANCHMSA-N 432.594 2.486 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1301500842 PUNDGGYAKCREGL-GOSISDBHSA-N 425.533 2.440 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1301594491 DUGZRUGUZHEFAR-WBVHZDCISA-N 443.639 2.060 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1302979448 QIAWXFPXALNEIZ-QAPCUYQASA-N 441.433 2.368 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc4cccc(F)c4[nH]3)CC2)cc1 1302983576 KFCUMVVCYIGKGB-UHFFFAOYSA-N 441.488 2.291 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(OCCO)CCC(C(F)F)CC3)CC2)o1 1304207853 PINWCGUDUFQWSP-UHFFFAOYSA-N 440.491 2.390 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1314706739 HHIRBXRKBCQAQG-IBGZPJMESA-N 440.548 2.363 30 10 IEEE COc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 1315518966 FNMXSIJESACHMX-GVDBMIGSSA-N 447.561 2.395 30 10 IEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC=C(COC)CC2)cn1 1316109462 ORIRXTHJIWABOR-UHFFFAOYSA-N 433.516 2.491 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCOCC1 1358875302 NCYCYRFUGIVFQM-CABCVRRESA-N 435.370 2.462 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1358940208 QZVSJRWYTRNHMH-HSZRJFAPSA-N 444.532 2.462 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1359476657 IKSYPARTGWVFIS-CJNGLKHVSA-N 445.911 2.095 30 10 IEEE N#Cc1cccc(C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)c1Br 1359898061 OKILNUIPWYWELH-UHFFFAOYSA-N 433.237 2.317 30 10 IEEE CC(C)OCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1360404373 YHHROWVLCCJSLB-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1437245436 QSRGLAKDMYAUDQ-UXHICEINSA-N 428.533 2.321 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 1446629699 IXPMFJVWONTAJG-HVEKOLDVSA-N 432.608 2.273 30 10 IEEE COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)COc1cccc(Br)c1C#N 1462131835 VHFIRQFAYXMKHG-IUODEOHRSA-N 425.279 2.174 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1465277315 WUBORTLUZOUAPR-UHFFFAOYSA-N 442.497 2.177 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1 1468579430 CGRCAPUGSKOYSK-INIZCTEOSA-N 437.562 2.411 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1469258745 ICEUAEFUIAPEKK-UHFFFAOYSA-N 433.480 2.197 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1 1470662242 GPSDRVLYHYWLJW-NRFANRHFSA-N 425.510 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)NCC(=O)NCC#N)C1 1478603178 XBRFFSGJCOYVAS-SJLPKXTDSA-N 447.511 2.105 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1ccc(Br)cc1 1478897242 WLTXGYSTYPWRIX-SJORKVTESA-N 440.363 2.333 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1oc(CC)nc1C 1503103303 BIUYOKOWGMZYTC-UHFFFAOYSA-N 436.520 2.315 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CC#N)CC2)C1 1503680673 YJXKESRFQXINPO-OAQYLSRUSA-N 425.493 2.050 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CCCC1 1504053583 DGWVIFZPDOKJRZ-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1504595573 DGSWXJOXUIODIW-SFHVURJKSA-N 426.496 2.250 30 10 IEEE COCc1nocc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1504662289 RYMDHHOWUATHFM-UHFFFAOYSA-N 441.517 2.192 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCOC(F)(F)F)c1 1505313813 IBZUZCFVOCQCNH-IBGZPJMESA-N 434.422 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1507536410 BYMADKNWZUBIEQ-WAOWUJCRSA-N 441.601 2.085 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)C1CC1 1507542982 TXIMOWOOLAAWQT-NLFFAJNJSA-N 436.604 2.262 30 10 IEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1507625982 MDVXPNJMKQUJIM-WIYYLYMNSA-N 438.594 2.136 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(c2ccccc2)CCOCC1 1507657415 QZXKYLSPXXLZQJ-UHFFFAOYSA-N 431.540 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCCC1=O 1507661022 KFNJUYVBCHPDRB-XMMPIXPASA-N 441.576 2.186 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cccnc1 1507707164 TYNKSKLXNLRMSO-UHFFFAOYSA-N 439.541 2.072 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)C(C)C)CC1 1507739246 OJQDESKWPRRILU-FQEVSTJZSA-N 430.597 2.216 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1507820795 NETAZTJQIJTQED-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1508002317 DSHAXWDAEKXNGZ-FDDCHVKYSA-N 425.533 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1508075324 WDNGENDFZQEOIL-MRXNPFEDSA-N 446.939 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(OC)C1 1508136862 VYDAMECYWVRJRO-NRFANRHFSA-N 429.546 2.423 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OCCN(C)C)cc2)n1 1511136945 CZUPUJOFDROGBO-NRFANRHFSA-N 447.543 2.366 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)OC 1512767868 IENBLFGXIXNEDT-HRCADAONSA-N 432.550 2.059 30 10 IEEE CC[C@@H](C)c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513087149 BSACZIWFUQUOOE-TULCJCFVSA-N 428.537 2.037 30 10 IEEE CCSCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516931814 KRHFCFOQLFSJTG-UHFFFAOYSA-N 437.577 2.415 30 10 IEEE Cn1nccc1[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1517422752 KYDRWCFDBBHWOS-HXUWFJFHSA-N 435.532 2.333 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)C1 1521062615 GCDAHTUXJHURLA-GCJKJVERSA-N 444.486 2.460 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nncn1CC 1539300681 FREHCJGITZSFFS-UHFFFAOYSA-N 425.500 2.458 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@](C)(O)c2cc(C)oc2C)n1 1539424910 YDYFETZEYWHVPP-QFIPXVFZSA-N 426.521 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H]2CCOC2)CC1 1539470304 MBZUESGYGIHDJD-GOSISDBHSA-N 437.544 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539621592 RQMGEGMXDPUDPG-GCJKJVERSA-N 442.539 2.468 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539631557 MDYPQEJFFTZYAM-ICSRJNTNSA-N 439.626 2.223 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539707931 RIWCKPCLJZXZKH-UHFFFAOYSA-N 439.532 2.489 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539759242 ZFFQKXATYDMBOT-QUCCMNQESA-N 441.532 2.427 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NC)CC1 1540857913 WDZLPXPRQAOHJO-UHFFFAOYSA-N 433.557 2.040 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccco2)C1 1540901654 LJUUKKVKDZYZHT-LJQANCHMSA-N 443.529 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCC2)CC1 1540902744 PDVOUOYQGGBRGJ-LJQANCHMSA-N 437.610 2.185 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1541533465 AUTBYRKCFYUQGD-BGYRXZFFSA-N 427.505 2.353 30 10 IEEE COC(=O)c1ccc(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c(C#N)n1 1559186598 MPKBEKDTILGYGR-UHFFFAOYSA-N 429.285 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cc(C#N)nc(C4CC4)n3)CC2)CC1 1559240086 ARTJIWJRRRWBDV-UHFFFAOYSA-N 441.536 2.020 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)CC1 1561505188 AVUFRZXDEYQWPF-SFHVURJKSA-N 439.375 2.098 30 10 IEEE CN=[S@@](C)(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1569052627 AYHIWRSBQHWQIX-NDEPHWFRSA-N 434.543 2.231 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] 1586587052 VHHZGEBRWJGLMW-XYJFISCASA-N 438.488 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCOCC1 1587574260 FIYVSNNXQXEHBZ-LSDHHAIUSA-N 435.370 2.225 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1587936981 FCEAJWNNFWYZSP-UHFFFAOYSA-N 432.322 2.026 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCS(=O)(=O)c1ccccc1 1588149181 IGTZBRGPTAXTAP-UHFFFAOYSA-N 433.537 2.201 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1588265796 HLYVSYMCLPORLY-IAGOWNOFSA-N 431.562 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ncccc2N(C)C)CC1 1588800419 FWVKMJIBGACJMY-UHFFFAOYSA-N 431.544 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CC=CCO2)CC1 1588955208 RKPXCQIAZUJPHR-QFIPXVFZSA-N 433.556 2.374 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(OC)OC)c2)CC1 1594014483 SBACQCPXFVIISQ-INIZCTEOSA-N 449.577 2.384 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(C)(C)C2)CC1 1594241278 LIQYQKZKUGEMFV-SFHVURJKSA-N 437.610 2.450 30 10 IEEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594573407 RWWOPYPCLCLMIN-OAHLLOKOSA-N 437.342 2.343 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1594645101 JOMGXBJLGYCYEY-NRFANRHFSA-N 443.640 2.362 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1595076172 WEFKUPYUVDRLLI-CVDCTZTESA-N 441.532 2.236 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1597523308 MCRQWCVDMDYMNT-AWEZNQCLSA-N 436.476 2.351 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1614343462 QHRJQGUXAGGOKD-SVMVAKDDSA-N 441.488 2.394 30 10 IEEE CCN(CC)C(=O)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1615325026 YCIPJRZQILSMLP-ICSRJNTNSA-N 432.569 2.391 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 1616735649 ZXVDXBLSEQIJHH-UHFFFAOYSA-N 426.510 2.320 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1619834969 QWPSSMFUGUVFIU-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE COCCN1C[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)CC#N)CC1=O 1619930751 DCRGIIZAYFOYNG-AJYBTWMASA-N 446.596 2.430 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1620352086 NUFFYMCJDPUXBB-INIZCTEOSA-N 427.896 2.327 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1623649333 RNQAGZJGZGVVME-SJORKVTESA-N 444.557 2.135 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 1627057980 DNFNNCJCPXOXHL-UHFFFAOYSA-N 428.514 2.232 30 10 IEEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1628728973 CYTRHDGTWAVYHV-QFIPXVFZSA-N 425.554 2.248 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1 1630415659 UZIVEPDRXIIVBF-DLBZAZTESA-N 435.546 2.375 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O 1632252294 WATLWBCVXHLCDW-OAHLLOKOSA-N 437.518 2.177 30 10 IEEE C[C@@H](CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)N1CCN(C)CC1 1632752644 GSODAYGKHDFJDF-UWJYYQICSA-N 441.576 2.145 30 10 IEEE CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1633381655 BYVBHGFCQDQGNI-KGLIPLIRSA-N 425.482 2.110 30 10 IEEE N#Cc1cn(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)c(=O)nc1O 1633653162 RYLHPAUAJZQYLV-MRXNPFEDSA-N 438.419 2.154 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@]2(COC)OCCc3ccccc32)c1 1636937606 GXQCKTCYQVMVCK-HSZRJFAPSA-N 427.522 2.328 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1637885453 HUDFDHCBHHIBET-FQEVSTJZSA-N 427.549 2.220 30 10 IEEE C=CC1(CC(=O)NCC2(N3CCOCC3)CC(OCC)C2)CN(C(=O)OC(C)(C)C)C1 1639864327 XWQFNCRMBQBMNJ-UHFFFAOYSA-N 437.581 2.186 30 10 IEEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](c1ccc(F)cc1)c1ncc[nH]1 1640555055 KBNNBKYWDMQJKZ-LJQANCHMSA-N 441.488 2.225 30 10 IEEE COC1(OC)CC2(CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C(C)C)C1 1643980496 UNUWOMWFLDPNQJ-IBGZPJMESA-N 449.573 2.141 30 10 IEEE CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645938361 RHAQAXNHMWQKHR-NXEZZACHSA-N 439.347 2.072 30 10 IEEE C#CCN(CC(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)C(=O)OC(C)(C)C 1647852901 VQOJZPJLLROEIB-UHFFFAOYSA-N 438.532 2.453 30 10 IEEE C[C@@]1([C@H]2CCCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)COC(=O)N1 1652122216 PQACNRPZDWLTIP-YWZLYKJASA-N 447.333 2.494 30 10 IEEE C[C@@](CO)(Cc1ccccc1F)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1654936141 QUNVAURASSHTHD-VWNXMTODSA-N 442.510 2.257 30 10 IEEE COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1660342522 HIGJGWNGHPBLOV-QAPCUYQASA-N 442.516 2.227 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 1662497101 DVJHKNRSDKZZII-SFHVURJKSA-N 446.548 2.124 30 10 IEEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc(-c2ccc(Cl)cc2)no1 1684354434 UFGNRXOUMYBUIB-FNFWKMNBSA-N 435.893 2.031 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1689892495 GZAYGZFSOIQMFC-KRWDZBQOSA-N 448.618 2.075 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1689926873 ZMJVMXPFUMVBEB-OAHLLOKOSA-N 440.529 2.021 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690174644 HGESDILRRGOIMX-KRWDZBQOSA-N 438.619 2.086 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1690206435 RABMKDZGBAUMHG-HRAATJIYSA-N 432.521 2.368 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1690613587 NDRKSKSTCVUFBG-LJQANCHMSA-N 437.338 2.498 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1690671584 ZCNWYRHIMPVXCN-SFHVURJKSA-N 440.548 2.166 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1691003199 DSCAEGIESVGJFL-FCGDIQPGSA-N 436.626 2.144 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)CC(F)(F)F)c1 1693229043 DEWFXOVTUNHSOK-QGZVFWFLSA-N 438.454 2.388 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1c2ccccc2C[C@H]1C 1705574338 BESYGECJYYKLNI-CJFMBICVSA-N 433.556 2.454 30 10 IEEE C#CCSCCn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1705665095 JREJIPOOGAZYJQ-GCJKJVERSA-N 434.606 2.428 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1705675320 KKLGDZDXDRJMPR-HOYKHHGWSA-N 439.535 2.495 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCO[C@H]1CCOC1 1705677190 FPHIPEVWVGPDCB-HTAPYJJXSA-N 443.573 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1705896592 RKUASNAAVRQXTF-HNNXBMFYSA-N 426.477 2.161 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1705902822 KDXKQGKTPDVHIS-DNVCBOLYSA-N 447.486 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1705933759 QVVYKEYHLSWVID-UHFFFAOYSA-N 427.530 2.177 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1C1CCC1 1705939088 RRYDATCLMPXXRM-FHWLQOOXSA-N 438.594 2.372 30 10 IEEE CN(C)C(=O)Cn1c(N2CCN(c3c(C#N)cnc4ccccc34)CC2)nnc1C(C)(C)C 1710988573 CKXDREPSTQBFLW-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE CNC(=O)CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1711374718 DEDKWEFBQKOMQM-UHFFFAOYSA-N 439.545 2.499 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1722325900 MUMHVHADDMCRRY-UHFFFAOYSA-N 449.353 2.181 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1722362221 MTNLRPHITZLGIT-FQEVSTJZSA-N 429.590 2.304 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(C2CC2)C1 1722405199 LDASUONUBUVQLK-KRWDZBQOSA-N 427.574 2.292 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CN(CC(C)C)CCO1 1722408723 PXKQMLOQTAWWNQ-LJQANCHMSA-N 425.533 2.490 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722535566 KJQRXJQOJUEQKL-LJQANCHMSA-N 429.569 2.227 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1722625642 ZDZOWCYSHCIPNQ-QHCPKHFHSA-N 435.532 2.425 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F)C1CC1 1722643769 AGZFTRVJIAMSEI-UHFFFAOYSA-N 426.496 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1722724775 FVHOJBXBVSQZLW-UHFFFAOYSA-N 448.549 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1722729160 XFXKWYRVENTMAO-UHFFFAOYSA-N 425.942 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 1722729629 RKINBNZMMAQEIZ-KRWDZBQOSA-N 448.589 2.482 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1723119507 REYYVMNEZHDXCE-FGZHOGPDSA-N 443.573 2.239 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1724017941 NTNJMEMDEYWJQG-VGOFRKELSA-N 426.496 2.256 30 10 IEEE CCN(CC)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cn1 1728381485 HGHDUVNANUOLJD-RBUKOAKNSA-N 425.537 2.190 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740571996 YNTNGZYTXDFSBA-LJQANCHMSA-N 442.589 2.456 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC(O)CC1 1740643684 QOJYIBZCOIRLPF-UHFFFAOYSA-N 430.556 2.201 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740792771 LQASWBBHDHVSFB-IEBWSBKVSA-N 448.951 2.475 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740867525 MORQDRQLSNSSCO-MRXNPFEDSA-N 428.541 2.055 30 10 IEEE C=CCCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740873641 DIPFGUIAYPHRLV-UHFFFAOYSA-N 433.582 2.065 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(C)on1 1740951153 QMGQMJPTYRDDCM-UHFFFAOYSA-N 437.504 2.382 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2)C1 1740961976 OFRCKDCFFHENQN-HXUWFJFHSA-N 438.576 2.244 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1741394096 VAECJEIKWHCISM-IBGZPJMESA-N 428.562 2.335 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741491508 CLHMKCOJMQOSIS-OOADYSHXSA-N 428.537 2.181 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1741876244 ASYGGTXSADLJGS-HTAPYJJXSA-N 430.503 2.418 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)n1 1741980915 FTMFHYWPTVVQJK-RDJZCZTQSA-N 440.483 2.047 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1748789720 AUYMGRZRIOOFKC-KRWDZBQOSA-N 425.514 2.261 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCc2sccc2C1 1748874669 BSQWJSRVRKTQIO-UHFFFAOYSA-N 436.585 2.097 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1749064667 FPGIQAMHCBRZKC-GSHUGGBRSA-N 430.553 2.382 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749087345 SOLBJYAQTOSYDI-ZBFHGGJFSA-N 444.374 2.215 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1749294361 XPKLTSAFFPPVIM-QGZVFWFLSA-N 435.536 2.382 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749398571 LCAYGSMMEPYGFT-SFHVURJKSA-N 436.516 2.318 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1749406459 IRIZAFPRWLCJKB-UHFFFAOYSA-N 428.516 2.013 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(OC)CCOC1 1749586154 NKUKRYVKDHRUER-JOCHJYFZSA-N 429.521 2.148 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(C)C)C1 1749735820 ARKYJYRSSDZYOR-IBGZPJMESA-N 436.553 2.470 30 10 IEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749749451 LSRXKMHRJWKTAE-QGZVFWFLSA-N 438.561 2.396 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCCc2ccccc2)C1 1750378981 AAEJHRZKSSPTLE-GCJKJVERSA-N 426.496 2.321 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1751095674 ZBDPJYKXDZCHKT-BRWVUGGUSA-N 426.512 2.266 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1751597033 HTBDASOVJUIILJ-IBGZPJMESA-N 431.500 2.248 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1760147630 CKOUQYBQWXDTDA-CQSZACIVSA-N 433.310 2.100 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ncccc1N(C)C 1760250506 HZLIAYBZWXTLAM-UHFFFAOYSA-N 425.562 2.229 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(COC)CCCCC2)CC1 1760255832 AUNODRYTILVXME-DEOSSOPVSA-N 445.608 2.282 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1760275244 SQUISZDMFLVHJF-HOTGVXAUSA-N 444.536 2.137 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1760552830 BUHFMOHCFFXSQB-LJQANCHMSA-N 434.562 2.416 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1767511410 DIBZCVCZPFTANT-MJGOQNOKSA-N 429.521 2.486 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1767607370 IACSXNLPLFUNBV-HSZRJFAPSA-N 432.532 2.178 30 10 IEEE CO[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769583088 OSCNVPXLUWHYAS-OAHLLOKOSA-N 440.577 2.206 30 10 IEEE COc1cc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1OC 1769851525 ASCWYPMFQXGQJT-UHFFFAOYSA-N 449.515 2.254 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1771179861 BNOSEWVPTUPFNK-OSCRUYLVSA-N 446.552 2.155 30 10 IEEE N#Cc1ccc(Cn2c(CCCc3ccccc3)nnc2N2CCS(=O)(=O)CC2)o1 1771533218 CZFRVCOZKGAZKH-UHFFFAOYSA-N 425.514 2.201 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 1851570755 FFVZHXKAOVSKOJ-CQSZACIVSA-N 445.435 2.473 30 10 IEEE Cc1ccccc1-n1cnnc1CN1CCN(CCNC(=O)Nc2ccc(C#N)cc2)CC1 1852199725 BKWFSHYLIVIAOF-UHFFFAOYSA-N 444.543 2.387 30 10 IEEE CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1855394208 LBOBYHOIHGDMJE-SJLPKXTDSA-N 429.542 2.237 30 10 IEEE CC(C)S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1855889937 CDZUNEPBNFWJMM-HXUWFJFHSA-N 431.558 2.316 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(OC)c(OC)c2)cc1F 1862642464 FECIXINVCJYUHP-LJQANCHMSA-N 431.416 2.422 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(Cl)cc1 1869934117 ZDWVXDTYIOSILN-IRXDYDNUSA-N 435.933 2.397 30 10 IEEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C)CC2)cc1=O 1870387664 OBCBQCSMOLUFTM-JOCHJYFZSA-N 426.561 2.169 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NCCN3CCC(C#N)CC3)SCC(=O)N2C(C)C)cc1 1889818943 OWHNNPNOHKALMH-FGZHOGPDSA-N 444.601 2.440 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccc(=NCC)[nH]4)CC3)n[nH]2)c1C 1890003173 NBZJFZDYVXMWGS-UHFFFAOYSA-N 449.563 2.072 30 10 IEEE COc1ccc(CN2C(=O)CCC[C@@H]2C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 1891395147 WLJXGZYAFPDZMV-PZJWPPBQSA-N 449.511 2.308 30 10 IEEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)co2)no1 1891717952 VIPXIFYHJHCTIA-UHFFFAOYSA-N 436.428 2.421 30 10 IEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224128913 ZWJZTFKBYHJMQK-CVEARBPZSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2[C@H]1CO 2232307290 RRPVNCSLHABIGV-RYQLBKOJSA-N 445.369 2.045 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(=O)O 2237382894 FYFIJHSLZMAVTP-HUUCEWRRSA-N 439.306 2.478 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)s1 2255600166 MGDYPUOFUGVJJX-NWDGAFQWSA-N 444.284 2.343 30 10 IEEE CN(CCCCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255657961 WXAWICKAJXBINU-UHFFFAOYSA-N 436.362 2.428 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829585 RKDLHDKTPSEPRQ-INIZCTEOSA-N 427.354 2.441 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266999170 WJWXIQBAUOZDNC-HUUCEWRRSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267000864 CZRNHPXNHJUZNE-MAUKXSAKSA-N 443.353 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267092941 PPCPPBUQEIFUMI-BPUTZDHNSA-N 446.357 2.227 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267127209 QAEROVXUZAVFSS-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267135401 CCKFVCKYCWAWPM-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268690097 JSRIWCKTSCJNOV-JKSUJKDBSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2314143528 CXEOIURPYNXXES-KBPBESRZSA-N 432.330 2.265 30 10 IEEE CC#CCN(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2316097021 FPMKZTHSFKGINE-UHFFFAOYSA-N 449.382 2.319 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2319670041 DEVKAHYNVHTGDG-AWEZNQCLSA-N 435.334 2.111 30 10 IEEE COc1cc(OC)c(OC)cc1C=Nn1c(Cc2cccs2)nnc1SCC(N)=O 2330364515 LGTAEQPYXLAUDI-UHFFFAOYSA-N 447.542 2.416 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc([N+](=O)[O-])c1 2331571057 GCDZHEFUAHKWOB-UHFFFAOYSA-N 430.446 2.216 30 10 IEEE CC(C)(C#C[C@]1(OCCC(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2365248147 KFSHTUBZBAIPBI-LAUBAEHRSA-N 437.514 2.132 30 10 IEEE Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4cccnc4)n(C[C@@H]4CCCO4)c3nc12 2426693 IEZPKQRQIUHFHV-SFHVURJKSA-N 440.463 2.144 30 10 IEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1 21713006 JMCNHEVPEHKEQA-HXUWFJFHSA-N 443.525 2.403 30 10 IEEE CC(=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@@H](O)COc1ccccc1)c1ccccc1 253531988 BRLFCDWNQGNSOT-QGZVFWFLSA-N 448.483 2.112 30 10 IEEE CSc1nc(O)c(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)cc1C#N 444417769 QZHCPSKBDUNUDH-UHFFFAOYSA-N 425.514 2.297 30 10 IEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CCOC)C(=O)C1 460791848 KUMHTHMTMAJKHZ-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)c1 462077308 ZFVLZKFSCFXDKI-IBGZPJMESA-N 447.455 2.083 30 10 IEEE C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 462084016 MVFNTYBSQKKGQP-AWEZNQCLSA-N 439.501 2.272 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cn1 462086995 AFZLBHOOYYDRPI-UHFFFAOYSA-N 430.877 2.388 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccon1 480959556 RCUDYXVLICHXGH-UHFFFAOYSA-N 449.513 2.402 30 10 IEEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481261203 UTIBKFDNWRROGA-IRXDYDNUSA-N 443.525 2.063 30 10 IEEE CCOCCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 482657421 GEECKNHLRANEQC-UHFFFAOYSA-N 434.562 2.171 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CN1CCNC(=O)CC1)c1ccc2c(c1)OCO2 488264192 AWHYHTUEZTZSRM-UHFFFAOYSA-N 437.496 2.335 30 10 IEEE CN(CCCOc1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 488672214 NROUWJDSRHIXGQ-UHFFFAOYSA-N 426.491 2.190 30 10 IEEE Cc1ncc(S(=O)(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1C#N 489420796 CHOHNBGGODUHIX-AWEZNQCLSA-N 429.420 2.341 30 10 IEEE COc1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C)cc(OC)c1OC 508441706 LPSLEPDVYYCHLV-UHFFFAOYSA-N 435.488 2.101 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(F)cc1 514917910 QWZFLQNCRMWEGN-UHFFFAOYSA-N 439.487 2.452 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3nccs3)cc21 526846013 VNFKWKZEKFJACR-AOAWJKDVSA-N 433.511 2.013 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccccc1 532394657 XTTDRGBTZBWJEB-UHFFFAOYSA-N 432.549 2.081 30 10 IEEE C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 556243955 SEBYMXURDLFAQO-KBXCAEBGSA-N 429.318 2.262 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@@H](CO)CC3CCCC3)ccc21 559024741 UYNSSUCFWKBWSN-LJQANCHMSA-N 426.517 2.265 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 561398634 ZYVLFVNUKKOAIJ-RTBURBONSA-N 431.562 2.447 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N(CCO)Cc1ccc(Br)s1 568568081 FLKRGSFOLOWUEL-CYBMUJFWSA-N 429.340 2.375 30 10 IEEE CCCCS(=O)(=O)OC1CCC(NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 586508294 HPLRKASSUYZIBC-UHFFFAOYSA-N 431.576 2.419 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)CCN2CCCS2(=O)=O)n(-c2ccc(F)cc2)c1C 610614778 DSCPBMKDNWXXRO-UHFFFAOYSA-N 447.536 2.011 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\c3cnc4ccccc4n3)CC2)cc1 728219221 KDTBQQOJXGYIMB-YFHOEESVSA-N 433.493 2.048 30 10 IEEE Cc1ccc2nc(COc3cccc(C(=O)NCCN/C(O)=C4/N=CC=CC4=O)c3)cn2c1 731888405 HVFZFMLYLHANOD-GYHWCHFESA-N 445.479 2.478 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 736170457 FJMOTKJGRUAEON-ZWKOTPCHSA-N 429.498 2.046 30 10 IEEE N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CCN1C1CC1 748948844 NAATWKHZWUZJNO-HXUWFJFHSA-N 439.541 2.369 30 10 IEEE C#CCN(CC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C)[C@@H]1CCS(=O)(=O)C1 754645154 VUOBYRNJHQXILT-LJQANCHMSA-N 442.537 2.187 30 10 IEEE C#CCN(Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 768932695 ZYEUYEOEBZNTOY-HXUWFJFHSA-N 448.585 2.099 30 10 IEEE COC[C@H](CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C)OC 781101738 CPHDNJNDJKETKR-RDJZCZTQSA-N 443.529 2.407 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CC[C@@H]2CCOC2)cn1 784123516 DRFAZPCYQCQVID-ZBFHGGJFSA-N 443.533 2.080 30 10 IEEE CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 791051887 ZAHOXUNKBLDSFS-FBBFKJPPSA-N 425.485 2.070 30 10 IEEE C=CC[C@@]1(C(=O)Oc2cccc(C(=O)NCC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 791807858 BZPZQPCQAMYZLS-QFIPXVFZSA-N 431.489 2.153 30 10 IEEE COCCN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(C#N)cc1 795884328 ZHFYACGHAXOHIS-UHFFFAOYSA-N 430.549 2.476 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCO2)c1 802695203 TXGPZRYOMAQIQQ-OALUTQOASA-N 438.532 2.318 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 804460553 YVJBOQUEOHVBEK-WOJBJXKFSA-N 428.558 2.178 30 10 IEEE COc1cc(CNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)ccc1C#N 810868630 UWFNODJAZMKYLH-UHFFFAOYSA-N 426.498 2.044 30 10 IEEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccc(F)cc1 812748555 URMBRNVHVRZFAG-PMACEKPBSA-N 446.500 2.346 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)c1ccc(F)cc1 812934494 WXIFQUKYLIIZFJ-MRXNPFEDSA-N 435.443 2.498 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)n1 813803685 MMUYCEMSPXOGIC-IBGZPJMESA-N 445.564 2.464 30 10 IEEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 814731411 RMMIMLLMDDYGKE-UHFFFAOYSA-N 441.542 2.044 30 10 IEEE CCc1ccc(C(=O)CCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915380025 HQXSVXYNUOWREZ-UHFFFAOYSA-N 438.484 2.272 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)s1 917769160 ZXGJMFPGCLZBGQ-MRXNPFEDSA-N 437.546 2.240 30 10 IEEE Cn1cc(C=NNc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n[nH]2)cn1 1084032189 VJHVGWYLGDBDIA-UHFFFAOYSA-N 427.519 2.137 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)c1ccc(C(=O)NC(C)(C)C)cc1 1142383292 HZLIAZKXJMHZPH-OAHLLOKOSA-N 442.541 2.416 30 10 IEEE CC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1156670800 YVNSQUOJABLTRX-KKSFZXQISA-N 446.960 2.215 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C 1162510744 OGVFKYZXBBVUMD-RVKKMQEKSA-N 435.546 2.194 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 1170364421 DIEFMZOHXIVGED-STZMJRNCSA-N 425.595 2.082 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCn2ncc(I)c2C1 1178734256 NPUUHRSMZWQTTG-UTCJRWHESA-N 425.201 2.252 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 1252189650 FHLOGDAKNJSCJG-RGPMPMONSA-N 432.590 2.271 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286322707 DCENIZBLXPDSDU-NRFANRHFSA-N 444.624 2.356 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(N)=O)CC1 1286335855 FIEVKPNYKSAJKS-UHFFFAOYSA-N 428.562 2.165 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1286376588 MAJYPSKVRQZCAI-HXUWFJFHSA-N 442.516 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)OC(C)(C)C 1286424068 XYMIXEDBGQMFQV-QHCPKHFHSA-N 445.564 2.308 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)cc2OC)CC1 1286480911 QYMYHRHCMZWPRO-FQEVSTJZSA-N 425.533 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)CC)CC1 1286491117 GBQXAJDXFGDPCU-QHCPKHFHSA-N 427.524 2.135 30 10 IEEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286697131 CIRJHYZTYNVZOO-UHFFFAOYSA-N 440.548 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1286788759 FIXSHTPARUMJMU-LJQANCHMSA-N 448.527 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCN2CCC)C1 1286812759 SOVPYOAPKVGCHL-WOJBJXKFSA-N 430.597 2.446 30 10 IEEE CC(C)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287206101 IKYYRIOFFTXSNR-XOMICKMZSA-N 438.536 2.045 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCCCCO)o1 1289598579 WZJGFQSNCFHNGK-UHFFFAOYSA-N 438.536 2.249 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)C[C@H]1O 1299412588 QXPREBXIIZOYOK-NXWXRZEISA-N 427.480 2.315 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300357212 JLCMRXMJSVCYBW-MRXNPFEDSA-N 426.521 2.304 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC 1300671481 JPLHWOFJOLNGBG-IBGZPJMESA-N 446.573 2.022 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC=C(C)C)CC1 1300688738 KVNCXAUNFWVJRK-UHFFFAOYSA-N 427.574 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC)[C@H](C)CC)CC1 1300719827 RMYKDFAZZOXTDC-XLIONFOSSA-N 426.565 2.311 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1300770347 TXUMBERPUGLODL-LJQANCHMSA-N 441.605 2.097 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 1301010116 HXRLRZFFAIVLST-IBGZPJMESA-N 438.576 2.317 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1301091744 MPCVXBCLXNAHPM-UHFFFAOYSA-N 430.553 2.424 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1301223304 RAVCSHHCPWDCBZ-IBGZPJMESA-N 427.505 2.052 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCc2ccccc2)CC1 1301491429 QTFPYAJHNBFCPS-UHFFFAOYSA-N 449.559 2.209 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301498530 PXNBWUATTOZVMB-UHFFFAOYSA-N 440.548 2.410 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H](O)[C@@H](C)O)ccc1Cl 1301673648 ZGTWSKAKHLWKFH-KDOFPFPSSA-N 438.933 2.193 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)cc1 1302809722 DPMRNEIMXBTZMN-UHFFFAOYSA-N 433.512 2.378 30 10 IEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1303309985 BXHGVEUEABKRTH-OAQYLSRUSA-N 440.548 2.065 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4ccc([N+](=O)[O-])cc4C#N)C3)[C@@H]2C1 1307194723 RYLYPPQVVFSNJY-NXHRZFHOSA-N 443.460 2.485 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C[C@@H]1O 1308033529 CMZNSQYPOGUKQP-FQEVSTJZSA-N 444.507 2.158 30 10 IEEE CNC(=O)CC1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCCCC1 1313054118 FHFSSPDQLQXMDX-UHFFFAOYSA-N 428.537 2.342 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nc(C)c(C)s1 1316205519 GOFYFKQCTYJDSA-YJBOKZPZSA-N 445.593 2.300 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCCCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1316533510 SJIISMSVAJMXNX-SFHVURJKSA-N 437.504 2.097 30 10 IEEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1358923123 CKRJPPNLDSQVAQ-IBGZPJMESA-N 432.532 2.453 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358954361 FUBJTMDVHKEPAF-XMTFNYHQSA-N 431.537 2.223 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1358955346 KILVSJKADQMNRK-GOSISDBHSA-N 443.573 2.284 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358961940 HLBORWUSWBANDG-IBGZPJMESA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358964615 CFJINSAGJXEOIE-QGZVFWFLSA-N 445.570 2.210 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(NC(=O)N(C)C)cc1 1359026183 NNJAMSDUVAWIDH-UHFFFAOYSA-N 447.543 2.492 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359056147 ZFGFPNKRKYWTAT-RDTXWAMCSA-N 445.511 2.125 30 10 IEEE C#CCSCCn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C 1359061617 HGLNTOTVQLTRNK-UHFFFAOYSA-N 434.654 2.323 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1 1359090052 UDEULATZDOHHEO-UXHICEINSA-N 430.597 2.273 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1359159619 ABIJJOMYRLKTSA-XMMPIXPASA-N 446.640 2.360 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1)C1CC1 1359251191 FHWCJFVXSSHJMG-QGZVFWFLSA-N 437.591 2.070 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1359303790 AXCATMGMYKLKQE-LJQANCHMSA-N 438.532 2.186 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(N)=O)c2)C1 1359318741 LBNVAWMMVAKGEA-HXUWFJFHSA-N 448.527 2.342 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCN(C)C2)C1 1359323954 AEGVQUXFDCXWNR-OFNKIYASSA-N 427.549 2.013 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 1435484346 VAMOXZWAXANRLR-AWEZNQCLSA-N 444.241 2.376 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(SC)c(C#N)c3)C2=O)cc1 1439243806 DCIQBQSBIFZAAA-JOCHJYFZSA-N 438.509 2.372 30 10 IEEE C=CCC[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1449699797 SODBKACACGPGEE-XHDPSFHLSA-N 437.290 2.448 30 10 IEEE Cc1ccc(C(=O)N(CCO)CCOCC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 1466188875 HCEMEQRNHPPLKQ-UHFFFAOYSA-N 431.260 2.308 30 10 IEEE CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1471799412 LNTWKEBSZJEQFV-WMLDXEAASA-N 426.452 2.182 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(-n3ccc(C(=O)OCC)n3)c(F)c2)C1=O 1476969296 IRJOMEHAECZLNW-GOSISDBHSA-N 429.452 2.439 30 10 IEEE C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1nnc(O)n1C 1479375903 MLEQMBXKPDDSRQ-QYNIQEEDSA-N 437.291 2.394 30 10 IEEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1493049936 BDLCZJXERIVONE-UHFFFAOYSA-N 428.518 2.341 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)C[C@@H]1C 1503889208 KSZYCMIQLHYIDY-OXJNMPFZSA-N 437.548 2.434 30 10 IEEE COc1ccc(CCc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1504231549 OWJOCQRHXMUYFU-KRWDZBQOSA-N 434.500 2.287 30 10 IEEE CS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1505145869 ALKBCAZGQATGCV-UHFFFAOYSA-N 434.541 2.077 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCOCC(F)F)c1 1505318708 PFOVWFUXSQNDFB-SJORKVTESA-N 430.459 2.346 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)cc1 1507618703 RPDDRPVPFCZEII-UHFFFAOYSA-N 436.541 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1COc2ccccc2O1 1507661069 LWRJOVQHJHZTIW-DVECYGJZSA-N 436.512 2.233 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1COCCO1 1507704248 UVWSFXUEIGNBIO-QGZVFWFLSA-N 435.322 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(F)cc2F)CC1 1507738532 QTOPFTKAHWUDBP-UHFFFAOYSA-N 437.454 2.027 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507747755 LDJYLGVGXDRSAL-CRAIPNDOSA-N 441.557 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1507795386 DMLNMZFAPQTBHF-QYZOEREBSA-N 438.594 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1507810670 XPGKHRNBAJEZTO-UGKGYDQZSA-N 431.581 2.287 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508092416 BULGGUUBPFCEKF-IAGOWNOFSA-N 429.496 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(Cl)cn2)C1 1508112419 AGTCNFQQKBVJLR-YLJYHZDGSA-N 436.944 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1508137247 LTCOWMNHCROVPS-TZMCWYRMSA-N 433.456 2.030 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1518758164 UFUQAJQVHVXFSA-GOSISDBHSA-N 428.512 2.496 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)s3)CC2)CC1 1533373205 JNABKXLPCYFPJV-UHFFFAOYSA-N 433.534 2.050 30 10 IEEE Cn1ncc(I)c1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1536459057 YGQLIMNFQPHWRN-HNNXBMFYSA-N 435.269 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539031082 WKDSTBJVFBZDDA-OALUTQOASA-N 445.589 2.213 30 10 IEEE C[C@@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539117686 BNIVMFABTUKAOW-BFQNTYOBSA-N 429.361 2.326 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnc(C)s1 1539153361 BAMZCHSMZPZAFQ-UHFFFAOYSA-N 429.575 2.429 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)Br 1539154297 HZTXPDRTBKAPQS-UHFFFAOYSA-N 433.278 2.406 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539220256 QWYGDRRPLHZEIU-WOJBJXKFSA-N 435.638 2.368 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1539469670 UBICACQYSZTFFG-FHJLPGHOSA-N 429.565 2.096 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1539966005 DBIPYPLZCLDHDJ-MRXNPFEDSA-N 443.639 2.299 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539971814 UMODPRRVMXYEFC-QHCPKHFHSA-N 437.548 2.435 30 10 IEEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1540550046 GPBJFDUYLOBCDC-DFQSSKMNSA-N 430.549 2.259 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCCO2 1540853334 XKKOOQYDYMWGPX-UHFFFAOYSA-N 441.532 2.249 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1540857489 AXOCXUPBQQIHQV-KRWDZBQOSA-N 429.496 2.225 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)(F)F)C1 1540894344 VRYRWOQAMQWAJP-HNNXBMFYSA-N 441.429 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](OCC2CC2)C1 1540901037 QXASWFAWUXEMBY-GOSISDBHSA-N 431.562 2.336 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(NC(C)=O)c1 1546532308 HBJDXKVDDAEHRI-MRXNPFEDSA-N 445.531 2.224 30 10 IEEE CC(C)C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1557115433 UZVHSDMCYNLSSM-RDJZCZTQSA-N 437.562 2.345 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)cc1 1557322408 WUYQGGFKDDQXDY-UHFFFAOYSA-N 431.562 2.487 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)C1 1558329420 PVVSZIKPICXTDA-FQEVSTJZSA-N 433.512 2.324 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@H]1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1558856513 COALJBONPNUFRD-RONYFTIISA-N 446.548 2.446 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 1558995329 HZBVAGMLHJNKFO-NRFANRHFSA-N 425.510 2.217 30 10 IEEE COc1ccc(CC[C@]2(C)NC(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 1559339264 BMABFBHKMDBNPF-VWLOTQADSA-N 445.475 2.238 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1563368499 SUMUZBMKSCXHSG-UHFFFAOYSA-N 428.470 2.334 30 10 IEEE C[C@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)CO)/N=C1/NS(=O)(=O)c2ccccc21 1568637781 CJMLZRHRKRHEPL-FOIQADDNSA-N 429.542 2.380 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588059253 KMXMOLGCXRSKPI-MRXNPFEDSA-N 433.578 2.401 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1588314848 SGQMWQBNNKRURY-UHFFFAOYSA-N 434.529 2.343 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCCC 1588473403 LWLCQVSFHPBKMX-UHFFFAOYSA-N 440.523 2.209 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2c(C)nn(C)c2C)n1 1588698114 ZSRFMDPSIGLGDR-UHFFFAOYSA-N 438.580 2.457 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCOCCOC)CC1 1588913821 REVOGZJQQXQBHE-UHFFFAOYSA-N 445.951 2.227 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1589036230 ADTYSMDISNKERG-RXVVDRJESA-N 436.585 2.340 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1589150712 JIHHZDXPNRRUDD-GCKMJXCFSA-N 429.546 2.057 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCSC2(CCOCC2)C1 1594784426 ZGGCNVOTRKRWID-UHFFFAOYSA-N 435.594 2.209 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCOCC2)C1 1595688807 OVPOJKLDFCEURM-OAQYLSRUSA-N 427.549 2.457 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1=O 1595988618 RBHUQFJZNAZSHZ-AWEZNQCLSA-N 440.422 2.425 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1596781366 AWUIFIITVGAXBU-HZPDHXFCSA-N 433.557 2.365 30 10 IEEE C[C@H]1CS(=O)(=O)CCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1611055631 KHHAXUPQHJRKLD-AWEZNQCLSA-N 432.502 2.058 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCCCC2)CCOC1 1616264243 WLFLBPVQFKLJIX-SIKLNZKXSA-N 433.553 2.398 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1616565387 OAXWENPVHZKKNI-QGZVFWFLSA-N 442.470 2.062 30 10 IEEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)C1 1618467113 QXSUKGYTGJDUMI-OAQYLSRUSA-N 446.502 2.277 30 10 IEEE COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1619599439 GRCLFUXQNKUFAM-FQEVSTJZSA-N 435.532 2.128 30 10 IEEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1620039690 HJAFQCJFZCFHFT-LJQANCHMSA-N 438.532 2.433 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCSCC(F)(F)F)CCN1C1CC1 1620356335 WYWVUVQQUHOODZ-DZGCQCFKSA-N 430.500 2.254 30 10 IEEE Cc1ccc(N(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)[C@@H]2C=CS(=O)(=O)C2)cc1C 1620626021 HAIHYPYQJGKKRQ-HXUWFJFHSA-N 444.553 2.285 30 10 IEEE CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1625757188 KURKKLVATLOSEI-BISSLNBESA-N 430.524 2.343 30 10 IEEE C=CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1627751627 FALZYKZZBVBALW-MRXNPFEDSA-N 425.503 2.026 30 10 IEEE COC(=O)C[C@@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCOC1 1633403815 MVGAPNHHQKMDSS-BILMIZPOSA-N 435.521 2.002 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCOC1 1634433008 JKIXRHGPNORWMF-HYRXLSRQSA-N 449.548 2.249 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1635116058 JANSVQDKTABTOY-INIZCTEOSA-N 444.532 2.441 30 10 IEEE C[C@@H](CC(=O)NCc1ccc([Si](C)(C)C)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1635402984 BXNIGTAZUJJWAI-HNNXBMFYSA-N 429.618 2.365 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C(=O)OC 1635630080 FYLIMHKDKCEREV-SFHVURJKSA-N 448.497 2.439 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1636699156 DBAQLLFDVUEHOH-HOCLYGCPSA-N 445.379 2.293 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)[C@@H](C)O)c1 1642581450 FZRVMBLAZGQBBT-KUHUBIRLSA-N 438.933 2.193 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 1643587451 LNRZOQUOZVKQPN-WGSAOQKQSA-N 444.513 2.441 30 10 IEEE Cc1cc(O)nc(N2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)n1 1644864982 CLJVEEIKNXTPTI-UHFFFAOYSA-N 438.337 2.061 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCc3cncc(C#N)c3)c2c1 1645029946 NJLQLSGZBDTVNH-UHFFFAOYSA-N 439.497 2.168 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(SCC)cc2Br)CC1 1645162760 CDKDYPQQKPPGQT-UHFFFAOYSA-N 432.409 2.146 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnc(OC)c(Br)c2C)cc1 1645168644 JLPKGVFAUQFUJW-UHFFFAOYSA-N 438.303 2.325 30 10 IEEE C#CCN1CCN(C(=O)CN2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)CC1 1647643030 NIJQVDXAKMBXCA-FQEVSTJZSA-N 426.561 2.110 30 10 IEEE CN(C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[C@H]1C#N 1648668189 ALRSYYHCOWKDES-WMZOPIPTSA-N 435.546 2.447 30 10 IEEE CNS(=O)(=O)c1ccc(CCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1648734362 NGTPJJQDNZZNKK-UHFFFAOYSA-N 427.526 2.221 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CO1 1653132019 IVBXEVYHAAJUAZ-GFCCVEGCSA-N 426.267 2.367 30 10 IEEE CC(C)(C)OC(=O)N(CCO)C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 1655280588 KWDFYMXYTHRJAG-UHFFFAOYSA-N 437.562 2.026 30 10 IEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1Cl 1668018308 FZMNAMWDIWESIC-KRWDZBQOSA-N 433.921 2.348 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)cn1 1670262342 MCLCSSVCOVYYEX-UHFFFAOYSA-N 445.682 2.258 30 10 IEEE C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1 1685532632 UNNCUAOMMKICOD-IFIJOSMWSA-N 426.336 2.132 30 10 IEEE N#C[C@@]12CN(C(=O)NCC3(c4ccc(Br)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1687514153 HMXRROPFDIHEIS-KSSFIOAISA-N 438.347 2.060 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNS(C)(=O)=O 1689830524 AZRHOAWFMGQIFZ-CQSZACIVSA-N 444.586 2.384 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1689970916 HREMFPUFTXFZKO-ROUUACIJSA-N 427.553 2.346 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)ccc1OC(F)F 1689998222 GDJBHKUUIPHHOF-UHFFFAOYSA-N 431.443 2.147 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1690236324 LJCPJANRKFLYCB-FVELJTHGSA-N 446.596 2.281 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1690411346 KKWFLTOBRMUEOQ-SFHVURJKSA-N 430.578 2.480 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690430297 HSTLAYVQFJZWBW-QGZVFWFLSA-N 437.548 2.189 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690439952 UKDHSTOXVVOQPE-UHFFFAOYSA-N 427.553 2.237 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690449614 LRQUGQOGYUQAES-NRFANRHFSA-N 443.640 2.475 30 10 IEEE C=CCCOCCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C 1690510640 AWBNKDUHIPOFJR-UHFFFAOYSA-N 427.615 2.419 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690659350 QDYLPJUDHMFTBD-LPHOPBHVSA-N 440.548 2.311 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 1690673359 UEGHHVMNMKNEIS-UHFFFAOYSA-N 428.968 2.499 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1692346757 NLGQKGITRBQRGU-HZPDHXFCSA-N 445.536 2.371 30 10 IEEE CCCCN(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1695195911 KXIBVANBSNTWKI-HNENSFHCSA-N 429.550 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1705476812 FNYJMXJCWIPRNE-RCCFBDPRSA-N 448.593 2.166 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1705559523 BWPAGKGPOJPHMT-HNNXBMFYSA-N 437.953 2.156 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1cccc(CN2CCOCC2)c1 1705579868 WTDNLYWLKCKNBS-UHFFFAOYSA-N 426.524 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1705626443 WZJNRRJAAOUMEB-QFIPXVFZSA-N 448.571 2.271 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1705630744 FDPLUKJORMZEDM-WOJBJXKFSA-N 439.560 2.430 30 10 IEEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C 1705665463 UPUWJMHFZUWWIE-INIZCTEOSA-N 447.565 2.430 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1705716304 GMXQDIDGBSNJHX-INIZCTEOSA-N 446.556 2.166 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705728919 CIGPUODCSFJZGD-MRXNPFEDSA-N 444.502 2.180 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 1705909861 JXUGAFMCTPMEDF-LJQANCHMSA-N 438.576 2.333 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc(O)c2)CC1 1705934873 ZNPPSSVNCISMCN-UHFFFAOYSA-N 431.562 2.179 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1705939896 PLFWTMDZSAVOFX-MRXNPFEDSA-N 435.619 2.413 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705941779 VXFWWLHHKKHPDQ-OAHLLOKOSA-N 436.559 2.216 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1705946811 RLTAYMNLJDYRHF-WUJZJPHMSA-N 441.623 2.052 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2ccco2)CCOC1 1710453607 FDHFFJPZDHXNIM-QFIPXVFZSA-N 442.520 2.083 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1710893658 PDKUQGOGYNISNP-CVEARBPZSA-N 448.618 2.476 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1710980491 GTFYSFOFCGAZJK-GOSISDBHSA-N 432.532 2.098 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(=O)OC(C)(C)C 1711208009 KHTYQSQGJCAJRR-HDICACEKSA-N 440.504 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1722305725 KZJVNXNBCCSEDW-YAMVIGLJSA-N 440.548 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CSC)c1 1722390834 VEJNRFFYIWLYOL-QGZVFWFLSA-N 445.614 2.263 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)CC)CC1 1722442452 XHOFHUPVMNLBQS-QFIPXVFZSA-N 429.590 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)C)CC1 1722444697 DPOGAJQAWWOXDN-OAQYLSRUSA-N 434.544 2.454 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H]2CCCCO2)CC1 1722447508 IXSNLZWHNYXDND-UXHICEINSA-N 429.565 2.445 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2cccc(F)c2)CC1 1722452029 ARKILSGBUNYYDC-HXUWFJFHSA-N 441.507 2.314 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1722501988 QWEWSBSVSAPHPW-HXUWFJFHSA-N 426.583 2.300 30 10 IEEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCNS(C)(=O)=O 1722520696 GJKUDDJXVMWDFT-UHFFFAOYSA-N 434.385 2.331 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722538162 LZOPXGAOWSOCGT-GOSISDBHSA-N 431.541 2.126 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCC1 1722632011 DPRQPEXRXVCZTK-UHFFFAOYSA-N 432.594 2.304 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCc2cccc(C(N)=O)c2)CCOC1 1722863957 NNRWGWZQHGYDTJ-GAJHUEQPSA-N 440.548 2.256 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1723769683 MZOQYTXNCCGATI-CRAIPNDOSA-N 446.939 2.405 30 10 IEEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F 1726751404 CVJYUOJBOVGFIS-OAHLLOKOSA-N 438.454 2.448 30 10 IEEE CN(C)CCOCCn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729340027 ALFCGXOQPLCTKR-UHFFFAOYSA-N 441.555 2.461 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730480009 IHWFFRDJMDVBHT-GDBMZVCRSA-N 440.483 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCCC2)CC1 1740704766 XGBFNNSGWCMXMV-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1740723183 MALAJHPWWKBUJF-HNAYVOBHSA-N 426.487 2.293 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1740724733 CMZRZAXWKKBKFS-PKTZIBPZSA-N 429.565 2.325 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1741005413 IQKQZVXCCWADAS-QGZVFWFLSA-N 429.546 2.460 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(F)F)c1 1741927875 WSQMTEFXHJKSQC-KPZWWZAWSA-N 442.467 2.316 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1742399961 MWMSXQBRKLGFIL-INIZCTEOSA-N 440.529 2.237 30 10 IEEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1(C)C 1743374599 CLZWLLIQKDJTCJ-NVXWUHKLSA-N 429.546 2.255 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1746419370 FUXDTLYLIDEYBV-RTBURBONSA-N 434.610 2.185 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCN1CCCO 1748661780 KXXMGXGLBNNFJU-UGKGYDQZSA-N 433.560 2.436 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1748979170 XEBRBCKBEJMTSY-NHCUHLMSSA-N 434.588 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(C)C)C1 1749727131 NRSAVLYSKXMPLD-IBGZPJMESA-N 448.545 2.136 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(F)cc(F)c(F)c1F 1750005319 ATOIMPGOMFIZLN-NWDGAFQWSA-N 443.401 2.336 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)C1 1750194785 MMOFHUHMRAFLBG-IBGZPJMESA-N 431.562 2.383 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCN(CC(F)(F)F)CC1 1750909379 DBTYCPWGFDEMHJ-AWEZNQCLSA-N 429.491 2.429 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1)N(C)C 1751122524 HZRWNBDPMAHWHB-QGZVFWFLSA-N 436.564 2.151 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCCS2(=O)=O)cs1 1751773316 PVZRXJDNJLTPLN-KRWDZBQOSA-N 434.591 2.341 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOCC1CCOCC1 1760095920 BXCNLIQFNJCSMW-QGZVFWFLSA-N 426.521 2.217 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760185796 DSUGCODLMYOYJA-SIKLNZKXSA-N 436.622 2.435 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760237509 LRDRNBGSERWSGQ-QZTJIDSGSA-N 444.605 2.228 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CCCCC1)N(C)C 1760243522 MZEDSIZZSVBQKW-HXUWFJFHSA-N 430.597 2.111 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)Cl 1760244810 HVVMLCPQWYFGFR-UHFFFAOYSA-N 437.953 2.034 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCCCC1 1760245594 JCIGCXNPYGFLAV-UHFFFAOYSA-N 439.516 2.162 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1C1OCCO1 1760249770 SLGAKJHDABHAAS-LJQANCHMSA-N 426.517 2.352 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1 1760285684 OCIIJNMQQKCURA-UHFFFAOYSA-N 431.537 2.421 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760524745 HXRUREUDSMKPCR-GOSISDBHSA-N 436.491 2.363 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760560350 SONIUYXATXIMFZ-DNVCBOLYSA-N 445.655 2.449 30 10 IEEE CN(c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1766952064 QMEDGCNKSLUTBF-BMRADRMJSA-N 446.309 2.161 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCn1ccnc1C 1767942487 MXQKUJWESVCFQV-UHFFFAOYSA-N 435.536 2.003 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1 1768293377 CLJIJTGHFRHLDR-SFHVURJKSA-N 448.618 2.478 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1769368530 GBJYIKQMPQGXKK-SNRMKQJTSA-N 428.562 2.381 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1771442773 VFHRHYCPGIOTNH-OSCRUYLVSA-N 439.545 2.198 30 10 IEEE Cc1nc2n(c(=O)c1CCN1CCC(/C(NO)=C3/C=CC(F)=CC3=O)CC1)CCCC2 1848434607 ZOGOMONCSQMQNH-ZBJSNUHESA-N 428.508 2.368 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccccc4Cl)n3[nH]2)CC1=O 1852331920 WBEGCBMMALFFIG-KGLIPLIRSA-N 440.891 2.313 30 10 IEEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)cc1 1853036347 LLERXLYBISPTPP-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE C[C@H](CCC#N)N1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C(=O)C12CCCC2 1854465507 QDAWDIVEMGZNFY-OAHLLOKOSA-N 430.940 2.242 30 10 IEEE CCOC(=O)c1ccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858421639 ALSCNAWXMPQYHD-KRWDZBQOSA-N 427.482 2.384 30 10 IEEE CCCCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc(C#N)c3)cn2)CC1 1858449127 ZCFCEKLHMNCIND-UHFFFAOYSA-N 427.530 2.457 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2)c1 1860665569 OIIXERQOPHNFJH-IBGZPJMESA-N 448.483 2.062 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862629041 MKTDQOBCRSSSHH-ZMZPIMSZSA-N 425.393 2.073 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1cc(OC)c(OC)cc1OC 1864869748 STODROMIALBRJN-GOSISDBHSA-N 428.489 2.234 30 10 IEEE C#CCOc1cn(CCCCN2CCCC2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870563678 KYFZZZBEKQNJSQ-UHFFFAOYSA-N 449.599 2.454 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2)cn1C[C@@H](C)O 1870739726 HUJPTKYKJLEKNT-GOSISDBHSA-N 441.528 2.429 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2)cc1OC 1874237846 JHZHVRKJTBOGEE-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)o3)CC2)CC1 1889297131 HDNAZFSZZNQEKC-UHFFFAOYSA-N 438.366 2.304 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN(CC(=O)O)Cc1ccccc1 2009956151 IOATVPICHTXSOQ-GOSISDBHSA-N 432.521 2.277 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1 2080358557 OMZOJSAQNPOYTG-OWTMLZMLSA-N 448.487 2.367 30 10 IEEE CN(C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539134 QSLNHZVYZRDORZ-ZWKOTPCHSA-N 446.353 2.319 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)ccc1F 2174785734 BYEJAHKDPSMUCB-RTBURBONSA-N 433.461 2.060 30 10 IEEE Cc1cnc(N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232267532 CRFKHAHCIBDLSS-FUHWJXTLSA-N 447.385 2.401 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ncccc1B1OC(C)(C)C(C)(C)O1 2232326988 ZNIIVOZEBLMHID-UHFFFAOYSA-N 446.401 2.370 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)C1 2247554155 VOFNTEJBTVKDBS-UHFFFAOYSA-N 431.455 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248401844 OUKFNYQHNWHFAM-CYBMUJFWSA-N 437.371 2.316 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 2248484014 SLSDOFIJHOMYMG-SFHVURJKSA-N 430.501 2.423 30 10 IEEE CC1(C)OB(c2csc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2248587345 OJLAVWKIZLMJIY-MRXNPFEDSA-N 431.319 2.447 30 10 IEEE CN(CCN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2255816471 FUDNAVBBPAEOLM-UHFFFAOYSA-N 437.321 2.459 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259934339 UWDKJMHLMURSEI-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995452 AVAMAMIUFHIVEW-IEBWSBKVSA-N 438.381 2.421 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267013085 FBCNUTNPBODTAB-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267517018 MKRQMNOACQLZBL-GJZGRUSLSA-N 446.357 2.038 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2267606351 WNQTVHILMAEXTQ-SJLPKXTDSA-N 440.353 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268702709 XJSNJDOQWBBGGE-INIZCTEOSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268791763 PGVQVDXZWDGNJZ-SFHVURJKSA-N 446.353 2.151 30 10 IEEE C[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2300339838 KKCZILCATZQIKL-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccn1 2330793147 CRUYQYOFIVTPDZ-OAHLLOKOSA-N 437.529 2.161 30 10 IEEE C#Cc1c(F)cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2370288201 YQKHTKFAZLJSFD-KRWDZBQOSA-N 438.408 2.067 30 10 IEEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3cccc(Cl)c3Cl)[nH]2)CC1 253565605 HXXJWKCMACCKNB-DJKKODMXSA-N 428.349 2.424 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 428302342 QKKGQSXNIBWKLE-NRFANRHFSA-N 432.528 2.019 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)C2=O)cc1 430317146 CIZHNPLRJJVJEV-IBGZPJMESA-N 433.516 2.186 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 460392109 XDPUJDRYNJYCOO-ULQDDVLXSA-N 443.639 2.298 30 10 IEEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 472915887 PZQPLFQOKKMBKG-KXBFYZLASA-N 443.467 2.221 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 483451513 YKCBUAHUAKLQTN-AWEZNQCLSA-N 428.518 2.327 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 508921370 YJDWLZSKEJBONQ-UHFFFAOYSA-N 437.591 2.249 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 518034094 CHFBGUYCNZWTMH-ZDUSSCGKSA-N 429.498 2.355 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 521495029 GUICNUULVLNTSX-OAQYLSRUSA-N 435.528 2.375 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCOC2)cc1 550036004 HLCXQCCQAXYJAP-LJQANCHMSA-N 440.511 2.447 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@H](C)C1 551757092 YVRFUJFZTYHYPW-OAHLLOKOSA-N 436.516 2.059 30 10 IEEE Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 581692765 PSZNHTKVSOFYAZ-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)n(-c2cccc(F)c2)c1C 582374276 JBCNNEVRBMEFOG-SFHVURJKSA-N 436.495 2.422 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(F)cc1 590973460 VKONIVYRQLVIPV-UHFFFAOYSA-N 443.450 2.346 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1-c1ccccc1C#N 604001815 TUEPQGDAHQOFID-UHFFFAOYSA-N 428.517 2.143 30 10 IEEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 608956800 KWIWSLAIRUZXKX-IBGZPJMESA-N 448.483 2.304 30 10 IEEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CCCC1 612681265 UTENTUZGFCIQCY-OAHLLOKOSA-N 426.336 2.336 30 10 IEEE C[C@H]1CCCN(Cc2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C1 732443901 FPMSVYOFHWVHEP-NFFVOIMASA-N 425.533 2.244 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 742177127 XUSUAPRZBGGOLW-UHFFFAOYSA-N 438.431 2.187 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)C(=O)C2)cc1 748946063 VYSYXKMDSZMMCH-NMWGTECJSA-N 447.561 2.118 30 10 IEEE COc1nn(C)c2nc(C)c(CCC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c(C)c12 760402925 YXKQPXYNTRTFCA-UHFFFAOYSA-N 447.561 2.446 30 10 IEEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 762547881 MZIDCTZEVIBELI-IBGZPJMESA-N 440.569 2.238 30 10 IEEE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 767918656 YKRNRLCEWLOZQB-WCWDXBQESA-N 435.528 2.050 30 10 IEEE CCn1c(=O)c(C(=O)CNc2ccccc2O[C@@H](C)C#N)c(N)n(Cc2ccccc2)c1=O 779740027 DMELGBOYIHVIMG-INIZCTEOSA-N 447.495 2.246 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781648633 ILDYKVJRVGRUTC-UHFFFAOYSA-N 446.532 2.258 30 10 IEEE C#CCCCS(=O)(=O)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC 805048773 RAYFBUMHWLBQJM-OAHLLOKOSA-N 427.320 2.347 30 10 IEEE COCC(C)(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 813562118 BYAYHEYYCQHOSA-KRWDZBQOSA-N 438.569 2.498 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cscc1C#N 814614333 YBFASSDIDUHNBH-NSHDSACASA-N 437.499 2.063 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)c(OC)c3)n2)s1 1084171331 ZIFDNHHTUHPZQE-UHFFFAOYSA-N 434.507 2.110 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)nn1 1129930959 WMYGFZOQPBTMAC-YJBOKZPZSA-N 447.561 2.260 30 10 IEEE C[C@H](CC(=O)N1CCOC[C@H]1c1cc(F)cc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1147436026 DJCHNTUPIUUHHO-ACJLOTCBSA-N 449.479 2.382 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(C(=O)OC)ccc(OC)c3C2)cc1 1153986575 LVDMOPZMUSHJPM-UHFFFAOYSA-N 444.509 2.145 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 1154866225 HUHFCDNHXGYRAR-UHFFFAOYSA-N 430.482 2.022 30 10 IEEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OCC 1158287832 GQNTXYOKIKDJSM-AWEZNQCLSA-N 447.351 2.327 30 10 IEEE CCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](COC)C(=O)OCC 1169262003 SWJTYPLLSVPMST-SFHVURJKSA-N 428.451 2.463 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1OC 1175932910 MXLZMIOLBIYCSS-OEAKIKGJSA-N 429.561 2.186 30 10 IEEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1211839283 BXWFIHMWZQMCCY-VIFPVBQESA-N 426.716 2.495 30 10 IEEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1OCc1ccccc1 1225060949 BNTYXHKQHDWOMQ-MRXNPFEDSA-N 433.468 2.460 30 10 IEEE C[C@@H](OC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(C#N)cc1 1265620190 CJSXFEWBASDYEX-SOIKWTOOSA-N 434.514 2.444 30 10 IEEE CNC(=O)[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 1277215605 RFSRDYWHNSUYME-NQIIRXRSSA-N 438.503 2.396 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286347791 BVVVBLCTVNFGJZ-UHFFFAOYSA-N 430.578 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1Cc1cccnc1N1CCOCC1 1286405885 KSUFKNLULKRBAN-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(C)ccc1OC(F)F 1286415798 LZQIWBVPQGCAFG-UHFFFAOYSA-N 427.455 2.431 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1286443659 KLJLGNFMLNECMH-SFTDATJTSA-N 436.560 2.071 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCSC2)CC1 1286472552 JLPKZPNIUYRXDP-NFBKMPQASA-N 425.602 2.443 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1286475152 RZRIQDGVKCXTPS-UHFFFAOYSA-N 447.543 2.050 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1286517651 ULUADCNKTCRUGI-QVKFZJNVSA-N 448.568 2.134 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286563033 UDBFLHYBJGCMPR-IEBWSBKVSA-N 448.593 2.020 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1286565640 CREMFRNSCXXQOV-UHFFFAOYSA-N 428.928 2.441 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286612483 VFRQJCXZIDOWGT-VQTJNVASSA-N 446.596 2.347 30 10 IEEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286629623 GYCQVBAKJYKGSM-MRXNPFEDSA-N 427.933 2.279 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1286645177 XRKBMOBTBHLKCM-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2ncc(C)s2)CC1 1286786395 DMYOFODSQSOOQF-UHFFFAOYSA-N 426.550 2.130 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cnccn1 1286821391 JRXWREFCDQLHSI-UHFFFAOYSA-N 430.509 2.035 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1286950960 OQCIHQHMTRYYLD-GFCCVEGCSA-N 439.339 2.024 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1COCCO1 1291605953 MUXCLDBLGSJDSX-PKOBYXMFSA-N 425.537 2.190 30 10 IEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCOCC1 1292598180 HAAAGZXXHPGWDL-OAQYLSRUSA-N 429.496 2.403 30 10 IEEE CN(C)CCOCCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1298087975 RALKUGXUPFHHEX-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1299314593 LQHSPTIWNYZUPA-FQEVSTJZSA-N 444.605 2.357 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300412497 BBGLDXFVVUVOPP-OFNKIYASSA-N 449.603 2.056 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300485842 ZJSHYWNQJOIKDL-WOJBJXKFSA-N 442.585 2.362 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1300849329 OJKNZSQVPIGMQU-XJKSGUPXSA-N 447.424 2.422 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1300991768 QQENANXOOCZDEB-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1301071205 ZOFCOLSDYMCCSI-NFBKMPQASA-N 433.597 2.443 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1301338234 UPWGCZKTMXGISK-GOSISDBHSA-N 436.520 2.100 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCOCC1 1301349307 IKYFALUUOMNTEO-HXUWFJFHSA-N 438.576 2.314 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(F)(F)F)CC1 1301496931 KHGRHMUIJXCGFF-UHFFFAOYSA-N 437.470 2.025 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCCC2=O)CCO1 1303001567 DLKBKCZSIKZHCU-MRXNPFEDSA-N 429.912 2.125 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)CC(F)(F)F)cs1 1304675973 PQMWICYTMVCLPQ-OAHLLOKOSA-N 443.499 2.247 30 10 IEEE CCC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1306566019 LVRTWAPEFYXKGR-SFHVURJKSA-N 440.548 2.460 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1309325610 DUPOQJBYSPSFHB-GOSISDBHSA-N 440.521 2.491 30 10 IEEE CO[C@@H](Cc1ccccc1)CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1309395964 CYOUGDRVIRFTIF-LEWJYISDSA-N 427.526 2.231 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 1313307007 MUXMNSWJUQJXMB-IRFCIJBXSA-N 428.439 2.483 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNc1ccccn1 1314393387 ILYNRDONQGPOOO-UHFFFAOYSA-N 447.547 2.305 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1314440874 CJHSKWHGDYHAFS-UYAOXDASSA-N 427.505 2.007 30 10 IEEE CNC(=O)c1cccc(CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)c1 1314977886 QLYLRHBCLHCPQH-LJQANCHMSA-N 436.541 2.261 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(F)F)CCO1 1316538109 GUDZODGKYQGWNW-NSHDSACASA-N 431.241 2.046 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1350680593 ULIMPFUOZYUYLB-NQIIRXRSSA-N 449.573 2.227 30 10 IEEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1351451669 VHOGGMBLLDHENA-MKVLZVNKSA-N 437.861 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1358888399 MATWOQRHGVPEKJ-VOLVWJTLSA-N 447.580 2.390 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358892900 JPZXADYNVCDKOJ-RXVVDRJESA-N 440.567 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358893331 SBNGIKUAHPDWFR-OALUTQOASA-N 431.544 2.390 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358923829 CNICROLVDRXVEE-QGZVFWFLSA-N 448.980 2.411 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1358931672 JBMXBVPVFSLQTK-HXUWFJFHSA-N 438.507 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358990618 UVRKLAQGXZCXNR-IBGZPJMESA-N 441.543 2.304 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1359002831 OMMKOHSEQKNYTP-QGZVFWFLSA-N 431.562 2.082 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2CCCC2)CC1 1359038242 OQTNIUVPEZLVSN-UHFFFAOYSA-N 436.604 2.313 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(C(=O)NCC)CCC2)CC1 1359040973 KYESHONJAICNHG-KRWDZBQOSA-N 428.581 2.064 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CS(C)(=O)=O)CC2)CC1 1359182488 IDAJSYSTXYMNKO-ROUUACIJSA-N 438.594 2.229 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnn(C)n1 1359257285 GETUJWMPXFFXBD-JOCHJYFZSA-N 438.536 2.083 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359332772 GXCAZAFOUDZHPH-OXJNMPFZSA-N 426.583 2.024 30 10 IEEE C=CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359346423 KZLUVQCIWFSXRW-LAUBAEHRSA-N 437.610 2.295 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1360612946 CKUVMWDIECSYFB-KXBFYZLASA-N 430.578 2.026 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc3nc(CO)[nH]c3c2)n1 1442966801 WLHMYIAKRKMXFN-UHFFFAOYSA-N 427.515 2.421 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1 1452417320 JRAKLIWSHSKYAZ-FCHUYYIVSA-N 426.538 2.196 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1 1452417325 JRAKLIWSHSKYAZ-YADHBBJMSA-N 426.538 2.196 30 10 IEEE CC(C)(C)OC(=O)C1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1454059968 MAVWLDCSYINTRR-UHFFFAOYSA-N 435.546 2.134 30 10 IEEE C#CCN(C(=O)CCOc1cccc(C(N)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455815176 YFVPQWIEJYBMLM-UHFFFAOYSA-N 429.517 2.416 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1455944894 ZLJBEULVDCVBOD-KRWDZBQOSA-N 444.532 2.001 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 1460177554 AKCPGZGTBSCZKD-QZTJIDSGSA-N 442.537 2.427 30 10 IEEE C#CC[C@H]1CCCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1460288679 FMBYLQHDCJIETE-SFHVURJKSA-N 430.574 2.312 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1464926667 QVGOJHHCASPUFY-JLUOLNIDSA-N 440.500 2.164 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCC2)c1 1468275802 YBWSDAQTJWXUFC-UHFFFAOYSA-N 435.546 2.118 30 10 IEEE CC(C)(C)OC(=O)c1ccnc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 1470234377 PMZXCMXFWDXUBG-UHFFFAOYSA-N 430.486 2.481 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2n[nH]cc2I)cc1 1470332412 AEDLWJFBFGUSIP-UHFFFAOYSA-N 444.254 2.344 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F 1479165449 JWSJNNXCHLGFSV-LBPRGKRZSA-N 426.457 2.200 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1507514248 CGMGQKDWWMGAHY-VBQJREDUSA-N 439.969 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1507519356 RIJALJMYIVYVEJ-GLDPYIMESA-N 437.544 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(C)=O 1507534209 SCAPAOCLGQHANF-MRXNPFEDSA-N 435.532 2.220 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507755335 MVOJSERWQRQNHY-UHFFFAOYSA-N 431.591 2.304 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507805424 JKEVVPRHLKUWRY-FXAWDEMLSA-N 437.610 2.120 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1507806876 OREGXOROAVWTGC-MJGOQNOKSA-N 430.578 2.373 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507940846 FCXSGLMUYVRKLC-GOSISDBHSA-N 449.563 2.134 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC=C(C)C1 1508084465 BTTOLBIYLCAXOW-UHFFFAOYSA-N 433.516 2.134 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOCC2)C1 1508118499 RWFQLPCWHZHALK-FQEVSTJZSA-N 442.520 2.357 30 10 IEEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1511393103 JGLDUAUOZDPWDH-SFHVURJKSA-N 426.546 2.255 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCOCC2)cs1 1511529053 GUXLMQXVEAYAAQ-HXUWFJFHSA-N 433.557 2.188 30 10 IEEE C[C@H](C(=O)NCCSCc1ccccc1C#N)N1CCN(C(=O)OC(C)(C)C)CC1=O 1525251296 QPOKKLSMPGBDJE-MRXNPFEDSA-N 446.573 2.375 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCCOC1 1534509844 MALQUTGKOFYZHF-JTSKRJEESA-N 430.505 2.254 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4c(C)cc(C#N)cc4C)CC3)C2=O)n(C)n1 1538351946 PFICBSFBEMRCOB-HXUWFJFHSA-N 434.544 2.170 30 10 IEEE N#C[C@]12CN(C(=O)COc3ccc(C4SCCCS4)cc3)C[C@H]1CS(=O)(=O)C2 1539118028 DUIMKBPRFZFYFE-HNAYVOBHSA-N 438.596 2.331 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1539142838 WDBQNWIJTJGMCJ-IRXDYDNUSA-N 430.553 2.478 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1539498642 YCVBVSPPCJZANW-MSOLQXFVSA-N 444.513 2.443 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1539566452 KLKAHNLOMQQFPX-OAQYLSRUSA-N 431.562 2.049 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2C#N)C1 1540918754 UNUBDDFTVCDAGB-CQDKDKBSSA-N 428.514 2.027 30 10 IEEE CC(C)(C)C1=CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541143509 NQMSAMFBJLLANB-XUTLUUPISA-N 448.531 2.444 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCCc2ccccc2)n1 1543006180 HRVMPAKVOJEZEW-SFHVURJKSA-N 434.548 2.237 30 10 IEEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1543098185 RXHOJVABYAFMNE-FQEVSTJZSA-N 428.566 2.437 30 10 IEEE CN(C)CCCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1552867701 UZKGHFNHKLCVBP-NHCUHLMSSA-N 440.548 2.237 30 10 IEEE C=CCNc1ncc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)s1 1556593266 XDZGWGOTMZJDNC-OCCSQVGLSA-N 432.468 2.429 30 10 IEEE Cc1nc(SCC(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c(C#N)c(C)c1C 1558322378 JLMIPBYUROXOSK-GOSISDBHSA-N 447.586 2.093 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 1558989590 OZYYHSWAINDKLW-KRWDZBQOSA-N 432.299 2.090 30 10 IEEE COc1cccc([C@]2(C)CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 1584630304 NWJYKQKYPVCBOL-KSFYIVLOSA-N 427.526 2.424 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)C(=O)c1ccc(Br)s1 1585593686 MBLOXFMPJJZMMQ-UHFFFAOYSA-N 429.336 2.386 30 10 IEEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)c2)CC1 1587962251 ZLQVRXBAWOKRHZ-DHZHZOJOSA-N 445.516 2.373 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588053924 IXCZHUUYFFZKHW-HXUWFJFHSA-N 433.622 2.294 30 10 IEEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1594114803 IYMFYYBIGPZTAS-UHFFFAOYSA-N 438.557 2.310 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCn1cccn1 1595506657 IIPVFDLTNIPMRQ-UHFFFAOYSA-N 429.912 2.242 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1595537550 SJVUJFRTVWOVAD-UHFFFAOYSA-N 426.521 2.066 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCN(C)C2)C1 1595744039 IWKKFBAQODZRQB-URXFXBBRSA-N 425.577 2.301 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1595789008 MPOCSCTVHAOUQQ-UHFFFAOYSA-N 442.467 2.128 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1598005457 VRTIXAZIWXMCRU-XMMPIXPASA-N 449.559 2.036 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)C1 1598208696 QEDQTIILZUAIPK-RDTXWAMCSA-N 434.334 2.411 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1613124685 SLLGDIHOAQBDDO-UUIWEUTOSA-N 427.505 2.087 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N(C)C2CCCCC2)CCOC1 1616140207 GJNITPYEFIEQQW-JTSKRJEESA-N 432.569 2.317 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1 1618026164 WRDHWDFIASVBKE-UHFFFAOYSA-N 425.403 2.346 30 10 IEEE CCOC(=O)C1([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1618072534 KFGPZLSJOHSNTK-ZBFHGGJFSA-N 447.919 2.429 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)cc1OC 1624608200 JECOUVIISYMNII-SFHVURJKSA-N 438.546 2.260 30 10 IEEE O=C(COc1ccccc1CNC(=O)C(=O)/C=C\c1ccc(F)cc1)NC[C@@H]1CCCO1 1624826019 BSGFMTCFPPNDII-DBBZSVRUSA-N 440.471 2.398 30 10 IEEE COc1cccc([S@@](=O)CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 1625970004 ONZCJEXHKNZXQS-IADSKUHDSA-N 449.554 2.254 30 10 IEEE COc1cc(CNC(=O)COc2ccc(C#N)c(Br)c2)ccc1OCCO 1626149683 CAPXRYDZSOOBJJ-UHFFFAOYSA-N 435.274 2.396 30 10 IEEE O=C(N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)[C@]1(F)CCS(=O)(=O)C1 1627107950 HZVQUPIVZNEUBY-OOZYFLPDSA-N 433.292 2.143 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](Cc3cccc(OC)c3)C2)c1 1631059623 FOUVEKHOFVZRQP-FQEVSTJZSA-N 426.538 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)F 1632532506 CEBTZRCVSOPVRP-XQQFMLRXSA-N 432.468 2.410 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1635514026 OIMUCKAPZBYOJH-UHFFFAOYSA-N 449.507 2.468 30 10 IEEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1637525066 JCJZJOOFGLFMGB-HUUCEWRRSA-N 438.550 2.035 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(O)(C(C)C)CC3)nnc12 1639126929 NEZGPGWWPZNDJY-UHFFFAOYSA-N 441.557 2.332 30 10 IEEE C=C[C@@](C)(O)CC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1642061679 YQSCSOONPOXNHN-GAJHUEQPSA-N 447.580 2.500 30 10 IEEE CC(C)C(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1659930648 HPKQOHOUQUIFHQ-CYBMUJFWSA-N 428.352 2.494 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1682100664 DOQQVBGZFQZQJH-LJQANCHMSA-N 443.529 2.257 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 1682742175 DBIXZVXXULBXBW-UHFFFAOYSA-N 428.470 2.336 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1689955878 WWYHSUFWMUDUQT-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1689988508 QNFUXSIFCKFJJY-SFHVURJKSA-N 429.546 2.014 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690071547 ZUKACAPGDVTIFM-UHFFFAOYSA-N 425.514 2.282 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1690206319 NLBSFNREEAJZLU-CKEIUWERSA-N 434.484 2.140 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCOC 1690243026 GKECAAYNOUKTCU-SJLPKXTDSA-N 448.593 2.302 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCOCC1 1690254721 HRJGFLVWCDFJDH-GOSISDBHSA-N 427.553 2.296 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(COC)c2)CC1 1690396697 JRNNPUGZCCOSHD-INIZCTEOSA-N 433.578 2.485 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@]1(C)CN(C)C1=O 1690559908 MAKHQPKRBBBQLU-HSZRJFAPSA-N 428.500 2.278 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCOC[C@H]1C)C(C)C 1690581252 NTLKNNDWVXXVNG-UXHICEINSA-N 430.597 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1690667800 IOQVJNAQBIACRP-MSOLQXFVSA-N 441.580 2.107 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1NC(=O)CC1(C)C 1691158020 JUYCODRKGQRRHC-KRWDZBQOSA-N 437.548 2.316 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1692527730 FSOUTUNXSSUWPU-WTOYTKOKSA-N 430.553 2.275 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1693270586 JLKYQFNGZMLTQO-MBSDFSHPSA-N 435.532 2.296 30 10 IEEE CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1695595733 LZJITIGWNYVKQK-UHFFFAOYSA-N 441.580 2.370 30 10 IEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ncn(C)n2)c1 1697315587 CAGHZZQHLSMUDD-LBPRGKRZSA-N 445.325 2.489 30 10 IEEE COCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1698006170 XWTCKVMOUCFCEA-UHFFFAOYSA-N 437.592 2.419 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CC1(N2CCCC2)CCOCC1 1698059547 AIVNTTHAHPSQJZ-UHFFFAOYSA-N 439.564 2.352 30 10 IEEE C#CCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705539096 JJCULGYBRHWGRX-HSZRJFAPSA-N 436.516 2.267 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705572392 ZRTWDXCYVMVFBK-GOSISDBHSA-N 442.564 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705595161 IOTYKCDBLSZBRV-UHFFFAOYSA-N 439.527 2.387 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1 1705616772 NGOYXUFJHGGRSW-UHFFFAOYSA-N 439.560 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1nc(C)cs1 1705630263 MEKGEMOTTZSDTI-UHFFFAOYSA-N 430.559 2.169 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2ccnc2)CC1 1705762533 BNIFSZCWZJJIKN-QGZVFWFLSA-N 441.561 2.279 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@H]1C 1705895508 IZIVMNCGMYFRJY-GDBMZVCRSA-N 445.593 2.084 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(OC)C1 1705913052 CIYYUOVNCMLEAB-QGZVFWFLSA-N 432.546 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCOCC2)C1 1705924773 ZAUWJZAKESGYAM-IBGZPJMESA-N 428.533 2.200 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)cs1 1707759192 QPAYTANNSNDVJE-CQSZACIVSA-N 425.518 2.239 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccsc2)N(C)C)n1 1707832431 BRHJHYSQFGOGJX-RBUKOAKNSA-N 440.577 2.233 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)c(COC)c1 1708756614 FTYXBXTZWDYEIB-GOSISDBHSA-N 444.511 2.259 30 10 IEEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1709088512 CDTQHSZPTGLBNY-JXSLOMFPSA-N 434.516 2.307 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)c1ccccc1 1712648321 SZRBJBXAMSHYBH-JBACZVJFSA-N 440.548 2.257 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1722278187 PDTVYUVHSNFWHO-KXBFYZLASA-N 432.546 2.388 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1722411415 GADDMIGHNYSXBT-GOSISDBHSA-N 435.569 2.251 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NCCC)CC1 1722434378 QJLWSFYHICLMAF-QGZVFWFLSA-N 440.617 2.413 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1722437654 VFASVJJXNRLXRI-RBBKRZOGSA-N 440.567 2.369 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723107920 RQAGTKUWTFJPKW-AUSIDOKSSA-N 439.564 2.172 30 10 IEEE Cc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1724652914 RSFFCHDZBWOXAV-BDIWWCJBSA-N 449.490 2.146 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1Cc1ccc(C#N)o1 1727137031 MBTXQHXLAOLQJX-WOJBJXKFSA-N 434.500 2.284 30 10 IEEE CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729310605 YWUMPGOKENREER-LJQANCHMSA-N 436.541 2.468 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740621414 XDCQFVYQMGIRNR-PZJWPPBQSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1Cn1cccn1 1740644475 HQRDFGUYQFCTHP-UHFFFAOYSA-N 441.539 2.270 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)C2CCCCC2)CC1 1740691230 XKOJCSONBVKAHN-XXBNENTESA-N 433.597 2.089 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740695930 HQNBHPZRRPSJDB-MOPGFXCFSA-N 446.596 2.040 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1740938069 XHRFYILKTHKWOZ-KRWDZBQOSA-N 444.561 2.099 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1 1740951885 PPINEDFNMJUNPN-UHFFFAOYSA-N 449.490 2.238 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccc2F)CCOC1 1741733380 VOPULHURXQVDSC-XMSQKQJNSA-N 429.496 2.429 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1741888639 SWVGZRJKUKCYIA-CQSZACIVSA-N 447.492 2.378 30 10 IEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cs1 1742128446 QAJRETCIFDIMFT-UHFFFAOYSA-N 449.584 2.445 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1744646971 WWOCMZSHHCTYKK-HOTGVXAUSA-N 439.564 2.263 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1748668277 IGUKYGPZHVPLCY-GVDBMIGSSA-N 430.553 2.129 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1748702707 BIEKSOKOVNMARA-GOSISDBHSA-N 446.533 2.175 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1748741085 ZUBUCEFOPIRAAB-INIZCTEOSA-N 432.546 2.389 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1748747073 CABGVILQRCKMCA-MJGOQNOKSA-N 426.565 2.118 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)(F)F 1748774016 PHGFSWUSOOJDJT-UHFFFAOYSA-N 430.228 2.456 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748818313 YVSLIZQXECLONU-HUUCEWRRSA-N 434.484 2.141 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](CC(C)C)N(C)C)CC1 1749019199 OJYGQKZOWUWGGM-VQTJNVASSA-N 430.597 2.072 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1749584166 IETIZTBSGPIQTL-AVRDEDQJSA-N 427.574 2.332 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749664529 QRAPQFURIMFDDW-CZUORRHYSA-N 439.438 2.412 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 1749676770 CWEFBEWMCJDOTJ-UHFFFAOYSA-N 435.532 2.441 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCC2(F)F)C1 1749697594 LGUPMSDQMXFEJV-OWCLPIDISA-N 447.552 2.495 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1760118078 XWPLMKHDJFPTLZ-FCEWJHQRSA-N 430.530 2.073 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1C 1760226976 QCXQSPSEUODOCL-UHFFFAOYSA-N 438.557 2.407 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCc2cnn(C)c2)CC1 1760262986 JNFTYXMNKGANHX-UHFFFAOYSA-N 447.587 2.193 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(OCCOC)cc2)CC1 1760268596 METPDQZDOZAIKZ-UHFFFAOYSA-N 437.544 2.195 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC)cc1 1760297265 NDLKNLUGNLICJC-XMMPIXPASA-N 434.544 2.191 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760315274 CDVVVXVCCFZOKQ-CUDHKJQZSA-N 435.569 2.040 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1)C1CC1 1760470364 OYOGICGBXKYTRB-UHFFFAOYSA-N 431.500 2.422 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760524313 UWKPVQRSFHNFDA-VQIMIIECSA-N 447.486 2.330 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C 1760692780 DMGVNUSTAYWNED-MRXNPFEDSA-N 447.584 2.467 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCCCCC1 1761493414 HWELTTULEILSBC-LPHOPBHVSA-N 438.598 2.104 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1762716853 UYBSNBXJXBYLGZ-IAGOWNOFSA-N 431.562 2.360 30 10 IEEE CCc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1764520979 GXYIFDKZQSNLPV-LJQANCHMSA-N 431.562 2.157 30 10 IEEE CCc1nnc(N(C)CCOc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1764740363 ZWWXNUSYJCVEFA-FMQUCBEESA-N 428.468 2.021 30 10 IEEE CCOCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766535511 PXDHDCFXBPCPNI-LJQANCHMSA-N 442.568 2.187 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)CN1CCCC1 1767931723 AGMLMIPZBSQJHF-IBGZPJMESA-N 438.580 2.140 30 10 IEEE CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1 1768654553 VMIGTHSZUIHYKZ-INIZCTEOSA-N 441.513 2.335 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)O 1768884981 GEOYYPRDPLTIRJ-UHFFFAOYSA-N 433.516 2.318 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC2CCOCC2)CCO1 1770750989 BRXKQORBGSDNFB-SFHVURJKSA-N 445.495 2.311 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1771180682 QNECRSVOANCDCF-UXHICEINSA-N 448.612 2.489 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1772566831 IQXUMHIKDSAJKL-UHFFFAOYSA-N 438.532 2.307 30 10 IEEE CN1CCN(CCO[C@@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)CC1 1852231056 TZOCGLMNQFBETK-NRFANRHFSA-N 443.569 2.044 30 10 IEEE Cc1nn2c(C)c(C(=O)Nc3nc4ccccc4n3CCN3CCOCC3)cnc2c1C#N 1852404885 WSJYASVGURTHRX-UHFFFAOYSA-N 444.499 2.152 30 10 IEEE Cc1noc(-c2cccnc2N2CCC(N(Cc3cnn(C)c3C)C(=O)CC#N)CC2)n1 1853454874 RYYIBESSSBSQKM-UHFFFAOYSA-N 434.504 2.393 30 10 IEEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)CC1 1857250907 WPQZQGOFWJFDFW-IBGZPJMESA-N 433.574 2.214 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N(CCO)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1857960666 PWBULSFUIKNFMA-FQEVSTJZSA-N 431.489 2.310 30 10 IEEE C[C@](C#N)(CCc1ccc(Br)cc1)NC(=O)C1CCN(S(C)(=O)=O)CC1 1858060234 HZVHHYBCESTKBN-GOSISDBHSA-N 442.379 2.452 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858337222 YBYBMBJCWNNEKZ-GOSISDBHSA-N 433.555 2.225 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862600645 OMZOFRYLRAJVOC-ADLMAVQZSA-N 429.425 2.074 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862689889 BRHGUGDVWBKJOQ-SFHVURJKSA-N 428.397 2.270 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 1862738576 DUGRGGSDZXWHLB-KRWDZBQOSA-N 426.381 2.254 30 10 IEEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN(CCOC)CCOC 1870557765 FLXKMUHZOALEJK-UHFFFAOYSA-N 434.489 2.088 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(N(CCOC)CCOC)ncnc2n1CCCOC 1873559266 IDKORPQFKJTIIJ-UHFFFAOYSA-N 445.564 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C[C@@H](O)C1 2060641580 KXADGJVMPKKEBH-ZJIFWQFVSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141677585 HRZIMSUPZPGVJW-GDBMZVCRSA-N 447.341 2.249 30 10 IEEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H](C)N1C(=O)OCc1ccccc1 2174785118 VPLNGXITSOURGX-QZTJIDSGSA-N 435.546 2.368 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(CCO)Cc1ccccc1 2247904669 PEWNWUPIDQOFKD-UHFFFAOYSA-N 431.363 2.477 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441354 LPAZKSSDEGDBCU-QWHCGFSZSA-N 437.371 2.219 30 10 IEEE Cc1nn(C)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255631426 YPIMPFJEILOBEF-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE Cc1csc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1B1OC(C)(C)C(C)(C)O1 2255838082 ZXJDVYWWORNLIT-UHFFFAOYSA-N 442.390 2.332 30 10 IEEE Cc1cnc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255863718 YIGHYYOXYJBBRG-SHTZXODSSA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256604588 DZAVXHJGLKHLGS-UHFFFAOYSA-N 430.274 2.098 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256678767 GXSZUXFLIUHGSM-AWEZNQCLSA-N 438.305 2.339 30 10 IEEE Cc1c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267139734 KKNRMUDXEYMNTM-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CC2 2267141270 WHPDSPVUXSYIKV-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)OC1(C)C 2267264378 QRBJOVWIWSAANA-KDURUIRLSA-N 434.349 2.265 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267491637 GPTMZRNGLTVQEY-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267495251 ZENLUFORIGOWBH-CVEARBPZSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267594011 ZAYMZXXPWLMTLK-HUUCEWRRSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267874762 AXHHLFWVMYFURJ-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267880196 QNMKATYKUPMSAQ-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268722808 IJABOFZRLUCTKS-MRXNPFEDSA-N 448.373 2.164 30 10 IEEE COC[C@]12CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]1CN(S(=O)(=O)N(C)C)C2 2297649103 QIJRHZDXBGVFGP-MAUKXSAKSA-N 446.495 2.158 30 10 IEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(O)cc1O 2328729905 HKGZCNXPECAKBE-UHFFFAOYSA-N 427.486 2.161 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2329175740 XYXYZDIJCMTSNZ-UHFFFAOYSA-N 439.497 2.130 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329826479 IFDCQSTUCDQHHA-UHFFFAOYSA-N 430.421 2.081 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc(F)c1 2330770085 IYDYOUNMLKPWGA-UHFFFAOYSA-N 432.525 2.477 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1C(=O)O 2331271667 YJXMCWLQNCJOLO-UHFFFAOYSA-N 446.514 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC[C@H]1C2 2343633812 GQKNBFMABRBGNM-OYHNWAKOSA-N 444.341 2.048 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCc2nccn2Cc2ccccc2)n1C 2362562009 LPHNYCWSTIUBHZ-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3cccc(C)c3)cc21 19978097 DAOTYGPHHGFDJH-UHFFFAOYSA-N 442.493 2.143 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc1 20291796 LBJROWLPTGVMMT-KEBDBYFISA-N 426.462 2.385 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)NCc3ccccc3)n2N)cn1 20921425 PZDQBOICKGTUTK-SSDVNMTOSA-N 427.538 2.014 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 26013964 GHLYXDPSYBZYAE-UHFFFAOYSA-N 430.505 2.023 30 10 IEEE Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(C#N)c2)c1C(=O)N1CCCC1 32996399 AOXMOOBCTMOXRT-UHFFFAOYSA-N 443.529 2.046 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1 109941248 ZBCDOTUUWIKIEV-IBGZPJMESA-N 431.477 2.258 30 10 IEEE CCN(C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@H](C)Cc1ccc(OC)cc1 429897190 CHEDQQVHUPWHGK-QGZVFWFLSA-N 446.511 2.874 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)c3ccsc3)nnc12 474666513 XWSWQFIERRIPIS-OAHLLOKOSA-N 441.538 2.234 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 483499374 AMWLTFGVTCSTOJ-IFMALSPDSA-N 443.931 2.483 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1C#N 489105786 STSJVOHYOBFRRE-UHFFFAOYSA-N 438.431 2.427 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c(OC)c1 503021901 SHXLWBZBUKIWOD-HSZRJFAPSA-N 445.516 2.250 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 508794190 KILWUMVAWDYYQK-IRXDYDNUSA-N 430.578 2.003 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H](S(=O)(=O)N(C)C)C3)c2C#N)C1 511120579 CAVPLKSBWKXZPN-GJZGRUSLSA-N 438.619 2.429 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(F)c1 511398021 NNRAFHIKQRGNAG-UHFFFAOYSA-N 428.848 2.401 30 10 IEEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516829478 MYDGJQXRJYKPSZ-UHFFFAOYSA-N 425.554 2.071 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)cc2C1=O 523339534 ZAEVYJPDCGGTFO-NRFANRHFSA-N 431.492 2.432 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1Cc1ccon1 535919790 TYHXAWHGRKSYSG-UHFFFAOYSA-N 427.432 2.097 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@H]2CCCO2)n1 549521321 WTYHRVYNXHOEBK-GOSISDBHSA-N 447.547 2.068 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc1 551650803 QMUCROSXWHJRBA-UHFFFAOYSA-N 433.480 2.490 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4ncccn4)CC3)n2C[C@H]2CCCO2)cc1 559135614 XKEGHTGYKQZYNE-HXUWFJFHSA-N 446.515 2.024 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 563767363 UXWYXYFSTLXDPO-UHFFFAOYSA-N 442.541 2.456 30 10 IEEE N#Cc1cc2c(nc1NC[C@@H]1CCCCN1CCn1nc3c(cc1=O)COCC3)CCCC2 585627725 VSOQQBVXCKTQJH-NRFANRHFSA-N 448.571 2.428 30 10 IEEE COc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C#N 589294145 LMCPDVZCXQRISA-UHFFFAOYSA-N 449.554 2.220 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC1 604470874 DPPWFTWCLLRLHT-YOUFYPILSA-N 445.564 2.260 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)NC4CC4)c3)cc2C1=O 607096600 SNICWKUPETZQGY-UHFFFAOYSA-N 439.493 2.470 30 10 IEEE CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 609046391 DACOUNQXKIPNEN-UHFFFAOYSA-N 443.529 2.219 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4c(cccc4NS(C)(=O)=O)C3)cc2C1=O 617439762 UFJIYMSXLIFZDE-UHFFFAOYSA-N 439.493 2.039 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccc2C)cn1 730145237 YJDROKHNILBGBZ-IBGZPJMESA-N 442.589 2.411 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 740525236 ONBMBMSOAGCAFG-UHFFFAOYSA-N 435.387 2.418 30 10 IEEE CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 743908781 HNZTXPLNAWLLGN-MRXNPFEDSA-N 432.546 2.261 30 10 IEEE Cc1c(NC(=S)NN=CCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C 755500467 WJFGCNSDKJGUIC-UHFFFAOYSA-N 448.508 2.053 30 10 IEEE C[C@]1(C(=O)O)COC[C@H]1NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757487867 WZDZDFBCZFPNQI-BWKNWUBXSA-N 448.475 2.134 30 10 IEEE COc1ccccc1[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1nccn1C 760972779 DPAQBDGJNJUUDE-NRFANRHFSA-N 431.500 2.317 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 782701815 WZPCTGSZZIERCE-HUUCEWRRSA-N 427.432 2.001 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)s1 788054698 QZOOLOOUEPITQO-KRWDZBQOSA-N 448.570 2.045 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc(C)c(C)c2=O)c(C(=O)OCC)c1C 790277110 ZKSDWAGELLFHBZ-UHFFFAOYSA-N 433.486 2.388 30 10 IEEE C=CCn1c(SCC(=O)OCC(=O)c2cnn(C)n2)nnc1-c1ccc(Cl)cc1 791462750 JHIVMRPCNPRXLF-UHFFFAOYSA-N 432.893 2.431 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccccc1S(=O)(=O)N1CCOCC1 797552090 RYYDEWKCIBOROF-MRXNPFEDSA-N 430.482 2.090 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 804186820 PLLAPXIPMXYUBJ-LAUBAEHRSA-N 443.610 2.462 30 10 IEEE O=S(=O)(NCCOCC(F)(F)C(F)F)c1ccccc1S(=O)(=O)C(F)(F)F 805080858 QREYQWYMXBCKGL-UHFFFAOYSA-N 447.350 2.175 30 10 IEEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)C1=O 1127667790 GYDQYLMTUNFAEL-RTWAWAEBSA-N 435.480 2.358 30 10 IEEE N#CCOc1cccc(OC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1129780954 IKWPZBFAFORUSV-UHFFFAOYSA-N 430.482 2.148 30 10 IEEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1136570268 BLEVYWQASBTETF-UHFFFAOYSA-N 435.509 2.055 30 10 IEEE C=CCOC[C@H](NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)C(=O)OC 1155779485 NBTHXBHWYLOPSI-LBPRGKRZSA-N 432.786 2.414 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSC[C@H]2CC2(Cl)Cl)CC1 1188650365 NWLJWJNZEZCAEG-CQSZACIVSA-N 448.397 2.318 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C)cc(C(N)=O)c1 1189221573 WPBPFXVUSUYDDK-HXUWFJFHSA-N 430.526 2.445 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1 1213515499 VPWOVNFFVOCGGK-UHFFFAOYSA-N 449.550 2.302 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286357959 QOZQMTAOSOFTKT-GOSISDBHSA-N 438.532 2.225 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286387861 VKDXDLLHKSBUBC-OALUTQOASA-N 428.558 2.307 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286394103 NGXUJOGZOVOWSW-BRWVUGGUSA-N 440.635 2.186 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]c2ccccc12 1286408279 BLKJMGIRTDTTRQ-IBGZPJMESA-N 435.553 2.367 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1286518173 ZRUONUAZSZSEQZ-VBKZILBWSA-N 435.525 2.076 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(CCO)CCOCC(F)(F)F 1286541871 NVJVKWNZPGVJGI-LBPRGKRZSA-N 443.264 2.068 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286788884 JNQVBCVKSHZCBA-AXHZCLLHSA-N 439.560 2.252 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)nc2)C1 1286814433 SDBGOOJXRPFNGX-BJLQDIEVSA-N 429.521 2.235 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1287129542 WEMXGANOKUTXNP-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE C#CC[C@]1(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)CCCN1C(=O)OC(C)(C)C 1287502024 OHAUOJKPJANQNB-HSZRJFAPSA-N 443.500 2.306 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1288519755 PXCOKUZFHUFYJB-HNNXBMFYSA-N 449.515 2.494 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C(C)C)N2CCOCC2)n1 1290617260 HXMJAGNBTMRCBI-NRFANRHFSA-N 440.596 2.237 30 10 IEEE Cc1cc(C)n(CCCn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)n1 1290666459 HPQJLVBKROIWLS-GOSISDBHSA-N 426.550 2.266 30 10 IEEE C[C@H]1CN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1291290479 AKKYCIOXDUCBHS-ZACQAIPSSA-N 443.552 2.243 30 10 IEEE CCCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c(C)n1 1294157916 ZXZHZUQIDZZXAA-UTKZUKDTSA-N 428.516 2.415 30 10 IEEE CN(C)C(=O)NC1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 1298233513 CLUXFYWOYDEMFB-UHFFFAOYSA-N 439.476 2.248 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 1298697640 AFRKZCFDXLFCJP-AWEZNQCLSA-N 448.932 2.343 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCC(C)C)CCO1 1299133080 DLXWAZWWXNLDRZ-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1300492691 OPCQBGDLLJLOFN-SFHVURJKSA-N 432.521 2.116 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(F)cc1 1300671045 APIJHRGAPFOISF-AEFFLSMTSA-N 434.537 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1300711441 BYCZCMRCAFUNCO-MRXNPFEDSA-N 432.569 2.281 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1300897369 PZXGKNATJRYVQE-NSHGMRRFSA-N 444.624 2.346 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1300984159 YGMMWUMGLMBHSO-UHFFFAOYSA-N 428.566 2.363 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCC(C)CC2)CC1 1301105263 GGAVPLHYERPGTC-ZWKOTPCHSA-N 438.642 2.411 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1301529701 LXWWKLXFNPDINF-HXUWFJFHSA-N 441.532 2.038 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2)C1 1301538566 ISBFTAGPHAAXDW-YJBOKZPZSA-N 437.541 2.051 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)C1 1301558475 WALJXHNLHBYUHV-MJGOQNOKSA-N 438.594 2.311 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1301608955 BSZGXIXWZJSQAB-GOSISDBHSA-N 437.573 2.347 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1304002329 PJSDERHKYWHRKC-IAGYGMIVSA-N 439.578 2.247 30 10 IEEE CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1305712490 GWSZOHXBSNVKEU-DXIQSLLYSA-N 434.560 2.361 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1314730494 YUPLTBMACCWJFT-HSZRJFAPSA-N 447.499 2.239 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccc(F)cc1 1358984176 LMKAGNXXFIBJSQ-DEOSSOPVSA-N 446.486 2.435 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CCc1nnc2n1CCCCC2 1358999624 XRSKJRUDLCQVHH-UHFFFAOYSA-N 426.569 2.217 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1359127428 QBNIMELMQIYTKN-HZPDHXFCSA-N 431.628 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1359332687 DNSXSEMBPWOIRT-RBUKOAKNSA-N 448.593 2.038 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1359373221 UASVWRCBEVYLEQ-LZNRXBQRSA-N 432.569 2.173 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1359466536 CXYRKPOFUKGLLM-ILXRZTDVSA-N 438.529 2.091 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 1468396866 SUSJBEQWTOSONV-UHFFFAOYSA-N 437.562 2.001 30 10 IEEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1474895936 PRISRRIFZKJOII-UHFFFAOYSA-N 440.518 2.413 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1Br 1475351091 CBIJDAHKPYUVOP-HOTGVXAUSA-N 429.336 2.309 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1502944723 GUXTWXTUDBMBRB-VDNWDLKOSA-N 428.537 2.322 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507630510 ASPSKYVKFQPYQT-GOSISDBHSA-N 439.516 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncccc1N(C)C 1507661006 JSQJRWQNNZVHMJ-XMMPIXPASA-N 436.560 2.291 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)ccc2F)CC1 1507716687 SVFMXWZEXCLSTI-UHFFFAOYSA-N 437.454 2.007 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCN(CC)C2)CC1 1507718899 VGFIHPRZTAQJFQ-INIZCTEOSA-N 446.397 2.133 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1507728424 UBFDYUJRTCNFEA-UHFFFAOYSA-N 438.523 2.146 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1507744680 VDDNYNIDSBKYJM-QGZVFWFLSA-N 448.637 2.160 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507753357 KRVKNIHVYSNCLX-UHFFFAOYSA-N 446.665 2.368 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1507761786 RABGPNYWJGSWMQ-MOPGFXCFSA-N 434.338 2.190 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1507812320 LLRJPOKUGMVKOJ-OAHLLOKOSA-N 434.566 2.297 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1507851970 FLHBQERQUMRHGS-RBUKOAKNSA-N 443.573 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508073487 KFWCTFSIAGDQBW-KRWDZBQOSA-N 435.532 2.058 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)O1 1513544527 SYBZOYDEAMBWHM-WCAVRKLYSA-N 438.532 2.388 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C[C@@H]1N1CCOCC1 1514140489 NLDWDURXAYTBQA-NRSPTQNISA-N 442.539 2.348 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1516527031 XHHQEVKTCVOTAQ-OAQYLSRUSA-N 432.475 2.281 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC(C)C)cc1 1518329712 HGZRNTZJMOVMHA-OAQYLSRUSA-N 430.484 2.222 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC[C@@H]1C 1518606010 RVLLRMKROQGLDQ-KVSKMBFKSA-N 429.546 2.113 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2ccc(Br)cc2=O)cc1 1525585696 COJAEVCTFMFFNZ-UHFFFAOYSA-N 440.319 2.056 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCN1C(=O)c1cscn1 1527667279 LLSOJPGSJGLSMQ-HNNXBMFYSA-N 446.554 2.207 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 1530268492 FADCZRMFXTWSES-IRXDYDNUSA-N 427.526 2.481 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCN3C3CCCC3)CC2)cc1 1531270057 HZIVARSJZXDCCV-FQEVSTJZSA-N 430.574 2.092 30 10 IEEE C#CCCN(CCOC)C(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1533858929 GWZAXVSLWMBXRB-IBGZPJMESA-N 434.334 2.476 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H](CC#N)C(F)(F)F)C1=O 1538122582 BURWRSRXUGQGFU-NHYWBVRUSA-N 447.211 2.177 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539218802 DKBZENZJGGSDRH-SFHVURJKSA-N 446.573 2.169 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C(C)(C)C 1539242195 PYGBIUHZBUHFGQ-UHFFFAOYSA-N 445.365 2.281 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC)c1ccc(Cl)cc1 1539413771 NXHNLBQLXFFIBC-ZWKOTPCHSA-N 431.924 2.356 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1539436197 NIHDWYKDEVARLS-HSZRJFAPSA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(CC)nn(C)c2CC)CC1 1539447678 UVTSEHOUJPRUDD-OAQYLSRUSA-N 425.581 2.182 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2snnc2C)CC1 1539460099 WICNVAADZLOJRU-UHFFFAOYSA-N 437.573 2.437 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1539668479 AANUFJOPSVOICF-SFHVURJKSA-N 437.541 2.201 30 10 IEEE C=C1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1539841948 NOLXNPIIYWIRQQ-UHFFFAOYSA-N 433.603 2.480 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1540616825 GTCOAVLKDYKCFN-MRXNPFEDSA-N 438.550 2.140 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1547599954 CGBJFSQXEZHTSX-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCC(=O)NC)CCC1 1547751914 HZEWCBNXXYHFLZ-UHFFFAOYSA-N 437.548 2.086 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1555943419 MJSWWQXZPPBCLJ-WIBUTAKZSA-N 433.509 2.216 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@@]2(O)CCOC2)cc1 1555988535 GBBNCMWSVMABNY-IBGZPJMESA-N 430.306 2.457 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2cncn2c1 1556952997 KHZLFCSPJBPQOB-SFHVURJKSA-N 425.514 2.104 30 10 IEEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1557597236 ZRBLWBOHVVLCCD-HXUWFJFHSA-N 434.418 2.291 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)C2)c1 1557719220 UPDIYHUJGTWIAL-HXUWFJFHSA-N 438.553 2.423 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1557978825 ZIYCODMVEPNZTM-JTSKRJEESA-N 432.496 2.106 30 10 IEEE N#Cc1cc(NC(=O)Cn2ccc(Br)cc2=O)ccc1N1CCC(O)CC1 1566387277 DYDWAMJKVCEBAI-UHFFFAOYSA-N 431.290 2.082 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)C1=O 1568439931 IJWAQDUNFVEBJB-FZKQIMNGSA-N 434.459 2.490 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 1584869374 AKVLMMVYSWJMDO-CYBMUJFWSA-N 438.278 2.198 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1587696952 DOCWPEBIKQTIFX-UHFFFAOYSA-N 427.578 2.409 30 10 IEEE Cc1nc(SCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(C#N)c(C)c1C 1587711067 YIYPFYADBCFJCS-IRXDYDNUSA-N 434.562 2.457 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1588028993 BQLLFCWYQNLEAT-KRWDZBQOSA-N 446.573 2.268 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1588035318 RLZBWKSEARMPDN-GOSISDBHSA-N 432.546 2.007 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1588050427 SECSYJMCVXWYSA-KRWDZBQOSA-N 441.557 2.480 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1588387162 RPXBMONJLUOOIZ-HZPDHXFCSA-N 444.557 2.020 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1588458595 HPGMHMWKOCUUEL-HYFFOGBASA-N 433.553 2.350 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1588780030 FNPJVRAOFPPJDV-UHFFFAOYSA-N 443.617 2.476 30 10 IEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1589036966 SAWZGAYBDPJDBA-KRWDZBQOSA-N 441.582 2.483 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1589052931 AESLRBIUUAQJBN-UHFFFAOYSA-N 440.602 2.189 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1 1594543464 ARWLCPNLRKBNOD-UHOSZYNNSA-N 445.589 2.458 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1595550427 DPHKPGOBJRPVRG-UHFFFAOYSA-N 444.555 2.249 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1606801306 IDLQCXRSGNTOKQ-KRWDZBQOSA-N 426.485 2.054 30 10 IEEE CCOC(=O)C1([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1618072530 KFGPZLSJOHSNTK-GDBMZVCRSA-N 447.919 2.429 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1621953317 FVZFKLDMPXJCLE-UHFFFAOYSA-N 448.358 2.439 30 10 IEEE N#Cc1ccc(C(=O)NC[C@H](O)COc2ccc(I)cc2)c(F)c1 1622536425 NGGKFWZBJDGKFL-ZDUSSCGKSA-N 440.212 2.472 30 10 IEEE Cc1cccc(CS(=O)(=O)CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1624812844 AGAYVRDKAPQFFQ-QZTJIDSGSA-N 435.546 2.175 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 1625788972 SEAWTYUXINNYFA-FUHWJXTLSA-N 437.504 2.312 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 1626410953 ZFMHWQRFGUDOOE-AWEZNQCLSA-N 443.591 2.128 30 10 IEEE COc1ccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1-n1cnnn1 1630301776 RNHKXZKXTPJCDV-UHFFFAOYSA-N 426.477 2.260 30 10 IEEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)n1 1630563904 ZNCHNHNUQORXKM-HNNXBMFYSA-N 444.488 2.317 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1635972055 ULYMJSZRELMTTR-QAPCUYQASA-N 435.546 2.265 30 10 IEEE CC(C)c1cc([C@@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n[nH]1 1637413015 DLKNEHKZZPLGSB-DOTOQJQBSA-N 429.546 2.478 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN[C@H](c4ccccc4)C3)CC2)cc1 1638078132 AMQZULUVCQQGNX-QFIPXVFZSA-N 438.553 2.132 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1[C@@H](O)c1ccccn1 1640073662 DPWHVUTYYNCKIK-QVKFZJNVSA-N 436.493 2.340 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@](O)(c2ccccc2)C1 1640562262 LBWDEMZVEYBVJK-QFIPXVFZSA-N 427.526 2.016 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C[C@H]2C1 1642363757 ZYOXELMHLCHHGJ-KGSCEVNHSA-N 432.521 2.055 30 10 IEEE CN(C)C(=O)[C@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1642635317 SJJPSMHNCGPVEO-PKOBYXMFSA-N 426.517 2.329 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](OC)CC[C@@H]3C)nnc12 1651185561 CSZIEXCEPBQAAH-LSDHHAIUSA-N 427.530 2.348 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CNC2(c3ccc(C#N)cc3)CCOCC2)CCC1 1654489933 WZFPXHPYRYGZAL-IBGZPJMESA-N 435.590 2.155 30 10 IEEE CCn1nc(C)c(CN(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1C 1659683646 BSAQLVPZLNALAE-JOCHJYFZSA-N 426.540 2.500 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c(Cl)cc21 1662242017 ZHQYORPIYQEUSA-INIZCTEOSA-N 446.916 2.358 30 10 IEEE CN(C)C(=O)CC1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1663310124 DQVZHELHMISRKH-UHFFFAOYSA-N 432.315 2.339 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c2c(nn1C)CCCC2 1664194209 OMGXYWKUFQLZRV-UHFFFAOYSA-N 436.578 2.322 30 10 IEEE COc1c(C)cccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1682315929 AMPPKOAOTLBQMP-UHFFFAOYSA-N 428.514 2.091 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1686404421 JWRGAZQIVNKVQW-OAHLLOKOSA-N 442.379 2.481 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1689830505 ASGKMSHFXQDHOW-SBUREZEXSA-N 425.533 2.186 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1689898111 SCFQZSKGEMSYBP-HXUWFJFHSA-N 442.589 2.072 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689988789 WJSYJZOFIRCHFW-OKZBNKHCSA-N 428.562 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCc1nc2ccccc2[nH]1 1690030369 SMXXZMPRPDDYRZ-UHFFFAOYSA-N 429.528 2.486 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690236802 RGVQZUOXMLEDMW-OALUTQOASA-N 440.548 2.133 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690271643 XRVHPJJQAHNDSG-QFIPXVFZSA-N 448.589 2.426 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1690319220 GONNDVIZXQQDNB-HSZRJFAPSA-N 444.532 2.454 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1690428684 YSXRLFMBNTYNDC-UHFFFAOYSA-N 429.569 2.260 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1 1690671139 PNAMANVUUQFPAI-MOPGFXCFSA-N 443.573 2.132 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1690742421 QDRGKEAGLISVPY-CYBMUJFWSA-N 445.574 2.495 30 10 IEEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)C1 1692417966 ANMYGDIBCYLWIQ-FPOVZHCZSA-N 435.576 2.496 30 10 IEEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1692417968 ANMYGDIBCYLWIQ-TZIWHRDSSA-N 435.576 2.496 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1692664564 XGTPHZNKKLBZDG-INIZCTEOSA-N 427.509 2.249 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1COC 1694352375 AVMSUJCRYRBXMX-IBGZPJMESA-N 426.521 2.120 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1696419374 YZDHQEGBZGTZQD-HXUWFJFHSA-N 440.548 2.460 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1697824034 GVNJPILIHMXICU-JOCHJYFZSA-N 436.560 2.446 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN(C)CC(F)(F)F 1698245410 FVMIJKNGEPAELS-MPGHIAIKSA-N 448.465 2.328 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705561957 XGZMKGBIJJHIPH-GCJKJVERSA-N 430.574 2.110 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705569142 ZVPUKORYFHJQJJ-RTBURBONSA-N 446.573 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](SC)C(C)(C)C 1705588404 DWSLPFSYECFINH-HZPDHXFCSA-N 425.624 2.129 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705610044 ZWBSKDRVJGGALG-NRFANRHFSA-N 438.576 2.356 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(NC(C)=O)CC1 1705698036 PRSGUIJBXPCQMI-HQRMLTQVSA-N 435.569 2.088 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1705735187 LCBQKJPVIBXRTR-LJQANCHMSA-N 427.553 2.190 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1705737846 COYNCBHUFRNXDO-UHFFFAOYSA-N 437.548 2.168 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1705800220 RGAWOBKRGXSROG-UHFFFAOYSA-N 435.536 2.342 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)c2)C1 1705914362 MPMRQSGPAMKIRK-GOSISDBHSA-N 436.520 2.073 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1706671478 SFMDVFDLQBABLM-JOCHJYFZSA-N 432.569 2.221 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CC1 1706912920 AZUIOGQVHFLZLY-NQHWOYTFSA-N 433.509 2.197 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@H](C(F)(F)F)O1 1708234381 MJSCQKYSJWDKLL-XJKSGUPXSA-N 437.422 2.410 30 10 IEEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1709383111 GOVCZTIVKLDEOB-RIOIIYTLSA-N 444.561 2.304 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C[C@H]1C 1710277927 KFSDZFNCQVJGAF-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1710835290 YVPPRYAJBHJYSZ-UHFFFAOYSA-N 448.531 2.190 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722334435 XKWPYZJVAZVRFF-ICSRJNTNSA-N 449.621 2.416 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCC[C@H]1C 1722355278 SGDPPSAHJUUKSS-HYFFOGBASA-N 433.553 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(S(C)(=O)=O)CC1 1722380618 RYBNYGBCBWSXTD-UHFFFAOYSA-N 435.509 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1722383171 QLTRRGNIPQQQBK-JOCHJYFZSA-N 444.539 2.312 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)n1 1722428518 WZBZMOVSFUTZRO-NFBKMPQASA-N 442.564 2.222 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1722436774 FKGNSFRDXFPYEE-VGSWGCGISA-N 429.952 2.098 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)[C@H](C)CC)CC1 1722449272 PAKDAQFDRHXZTD-KOSHJBKYSA-N 438.576 2.027 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1722630034 UAGPQMUDZNCMOP-LPHOPBHVSA-N 428.489 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)NC)CC1 1722695693 MLHOIUIHLPDHSM-UHFFFAOYSA-N 434.903 2.002 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722707123 GSRCYGKUJUIIPP-INIZCTEOSA-N 431.562 2.239 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1722723016 UMXVEQPBWCZJMD-ICSRJNTNSA-N 446.573 2.382 30 10 IEEE C[C@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCO1 1726469468 FNJSLNCBNWUZRH-ZWKOTPCHSA-N 438.532 2.212 30 10 IEEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CCCO1 1726728761 FAFJFFMQOZGGEL-WMZHIEFXSA-N 443.596 2.145 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@](C)(O)C(C)C)c1 1740563379 UGBGYZPTETWIMM-QHCPKHFHSA-N 433.516 2.198 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740616122 SUVYDGKPARWJER-PKOBYXMFSA-N 447.605 2.180 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(C)CN(C2CC2)C1=O 1740659184 KWRGTLHBCQNRDC-RUZDIDTESA-N 447.539 2.340 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NCC 1740676727 LAIYPDPXYXKCLE-GOSISDBHSA-N 440.523 2.170 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2-n2nc(C)cc2C)CC1 1740703345 OUIBPYASUCJSAY-UHFFFAOYSA-N 431.544 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)CCC(C)C)CC1 1740704513 RFNSHIOIZAPLPO-DEOSSOPVSA-N 438.576 2.493 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740763624 NQLIFOKAYHIFDV-RKVPGOIHSA-N 443.470 2.149 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN2CCOCC2)CC1 1740842732 KGAYRVGFUKMURY-JBACZVJFSA-N 433.597 2.373 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740930392 SVFLQUXFCYFCON-QFIPXVFZSA-N 441.557 2.165 30 10 IEEE CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1741088232 RQZJSBQUWZKIQT-UHFFFAOYSA-N 425.518 2.252 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1)S(C)(=O)=O 1741137442 IPHDEOYZEGEJOU-MSOLQXFVSA-N 442.589 2.336 30 10 IEEE CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1745034438 CMGCFJDCZVOERS-HCKAZOGZSA-N 430.553 2.397 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCn1cc(CO)nn1 1748777224 DIYLDNIZCZWIOB-UHFFFAOYSA-N 444.337 2.260 30 10 IEEE COc1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c(OC)c1OC 1748788654 JISLXJCTXKGAJU-UHFFFAOYSA-N 449.515 2.254 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1748907063 FTWSQVWWYOKSIW-DEOSSOPVSA-N 439.560 2.381 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1748908239 WHHYVONJUPDKFE-JOCHJYFZSA-N 429.521 2.239 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(C)C)CC1 1748978110 NHGKYJKLYXYMBB-UHFFFAOYSA-N 434.588 2.372 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCC2(O)CCOCC2)CC1 1748994410 GBIUKSAYYADAKN-UHFFFAOYSA-N 437.588 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCc3nccn3C2)CC1 1749014878 PRMHLLRMDSPDMK-GOSISDBHSA-N 437.592 2.292 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1749180515 CQRQPLPBSFMAPU-SIKLNZKXSA-N 427.505 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749664665 WHORUWAWJAOGBW-UHFFFAOYSA-N 439.470 2.247 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)s2)C1 1749699084 ZEOQCWATQMCVFT-OLZOCXBDSA-N 445.998 2.433 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1750075244 BYEOTNYIKNIPBJ-WMZOPIPTSA-N 428.512 2.266 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1750198241 OYCKGNFMIDBXOW-GOSISDBHSA-N 438.916 2.260 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C[C@H](C)O1 1752321717 QTABIQAXTVQFQH-HOTGVXAUSA-N 429.546 2.255 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760191638 LDBBFXLCJGQFMZ-AZUAARDMSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@H](CO)O1 1760199665 DNODWQJPZSGUGW-JKSUJKDBSA-N 429.318 2.320 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](CC(C)C)NC(=O)OCC 1760217070 NYLLCAVOOSWLNY-LJQANCHMSA-N 425.537 2.302 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccccc2)CCOCC1 1760248150 CAQSUOJUJHDTDY-HXUWFJFHSA-N 437.544 2.064 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760282691 MSUATHHPFWDGHY-UHFFFAOYSA-N 443.621 2.223 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760322098 NZDZMXBUWSXVJR-XMSQKQJNSA-N 444.624 2.249 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1760337672 VJIGQOQKRVIJHT-GOSISDBHSA-N 441.561 2.212 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1760358111 RMZVRFJJEYVEKH-IBGZPJMESA-N 430.553 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760518078 IDPHQDSDOAVEMJ-HXUWFJFHSA-N 448.886 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760552785 APZLKWRQJJYDGD-JOCHJYFZSA-N 446.573 2.320 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1760582677 NZPAMXNBBWEVTB-QUCCMNQESA-N 449.559 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCC1 1760777807 BBYCQTTWIWJISV-IRXDYDNUSA-N 446.552 2.384 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1760805117 DZJIHTJSFKLVIV-DHMKHTPVSA-N 435.525 2.272 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1761541142 TXMCVURXJNNZGD-CQSZACIVSA-N 445.476 2.305 30 10 IEEE CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1765445953 AUFOJRYEDJJCRS-KKSFZXQISA-N 426.500 2.242 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1769275706 KBVXACGTYJKJNK-LJQANCHMSA-N 428.512 2.102 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1770600224 RTMRRATWQMDFEK-UHFFFAOYSA-N 441.605 2.216 30 10 IEEE C=CC[C@H](OC(=O)C1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1)c1ccccn1 1850877398 LTJOCXNVCJCJHR-FQEVSTJZSA-N 435.484 2.439 30 10 IEEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3[nH][nH]c(C)c3C#N)c2C)C1 1852373916 ONBGLIMONLLMES-ZDUSSCGKSA-N 437.426 2.046 30 10 IEEE C=CCN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(OC)cc2)c2ccccc2)CC1 1852655273 WYAWHFGAEHNESW-OAQYLSRUSA-N 429.542 2.045 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CN(CCN2CCCC2)C(=O)c2cnc(C#N)nc2)cc1 1853568785 SNOQDAFJSKCPEI-UHFFFAOYSA-N 441.557 2.269 30 10 IEEE CCOc1ccc2nc(N3CCN([C@@H]4CCCN(C(=O)CC#N)C4=O)CC3)sc2c1 1853958106 TXOIPDCIJVIRLD-QGZVFWFLSA-N 427.530 2.248 30 10 IEEE C=CCN([C@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1854219751 RBYJMWYAADMDSE-CVEARBPZSA-N 440.327 2.218 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCC)c(C(=O)O)cc2=O)nc1C 1857884848 JIIYPAIYZFWAFP-UHFFFAOYSA-N 449.485 2.472 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 1861249967 CRRCVTJLUWIAPD-JOCHJYFZSA-N 449.482 2.385 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCO)ccc1O 1862573914 CVYIEXNKNRPDNN-FQEVSTJZSA-N 443.452 2.379 30 10 IEEE CCCCCCCOc1cn(CCNC(C)=O)c(CN(CCOC)CCOC)cc1=O 1870414428 PETFAZVKUJIBRG-UHFFFAOYSA-N 439.597 2.428 30 10 IEEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCC(CO)CC1 1870505244 ONEBACLURHDMPS-UHFFFAOYSA-N 431.577 2.409 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccccn3)CC2=O)cc1 1874198346 XSBIMOBSEQKLJB-LJGKHRNASA-N 438.513 2.169 30 10 IEEE CN(CC(=O)NCC#CCN1CCCCCC1)c1nc2c(S(C)(=O)=O)cccc2s1 1890096131 KSACRRJMGWJYJG-UHFFFAOYSA-N 448.614 2.132 30 10 IEEE CCn1cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c(=O)c2cc3c(cc21)OCO3 1892011463 AQESMIYVQNKKCU-AWEZNQCLSA-N 447.451 2.095 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 2010225999 WBGYMDSXCKGWNE-YKSBVNFPSA-N 429.561 2.389 30 10 IEEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633972 UFRUHLQVWYONLO-OAHLLOKOSA-N 434.342 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)=C[C@H]1O 2068906913 DGLMMGMZFBKTNR-IAGOWNOFSA-N 434.342 2.361 30 10 IEEE COc1cccc(C#N)c1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164488350 WASHLKYORZNEFI-HXUWFJFHSA-N 431.445 2.333 30 10 IEEE COC1(CCN=C2NS(=O)(=O)c3ccccc32)CN(C(=O)OCc2ccccc2)C1 2167649873 ZRFRSKWKULLHSF-UHFFFAOYSA-N 429.498 2.153 30 10 IEEE C=CCn1ncc(N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(Br)c1=O 2178146516 JDSLDVFAXJUEPQ-BNOWGMLFSA-N 441.326 2.238 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229107701 NFUXAGISKFCRDQ-HOCLYGCPSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2247776672 BYGHTFTVGRSNTG-ZIAGYGMSSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247863458 RGURGWUOSGJCBL-FQEVSTJZSA-N 440.371 2.053 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2247920890 FUWJDRFKAHYTHN-VQFNDLOPSA-N 425.363 2.303 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255824381 GYXZGTYQOILFCE-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255827202 WAFBXDBPBBYHPW-NRFANRHFSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837857 WOTMQUAEBAYHRX-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC12CCOCC2 2255852992 KPSQSWVZSHCEJF-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256621263 RYYSENPBYJBVSU-KSFYIVLOSA-N 434.342 2.011 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256629809 ZJMYEQCTFSBXFW-RHSMWYFYSA-N 432.326 2.295 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2256912819 YUBVOAXXZICVIX-KBXCAEBGSA-N 429.278 2.367 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2259939519 YYERERFEJAQVIX-JLCFBVMHSA-N 431.342 2.301 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014121 UCPRDUAKPRBNHR-OCCSQVGLSA-N 444.259 2.498 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267107144 JRFOMGWBJJSWCN-MRXNPFEDSA-N 446.353 2.352 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267128461 QZNAUEIRTDYYCG-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267142403 TUGIETWDWWODRY-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1 2267144963 APZVIAUVHUBBPZ-INIZCTEOSA-N 448.373 2.235 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2267173042 GCSWSJPODDDRCQ-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263538 HJDZABOQEIJABP-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2267499443 UBFMBBZYTDZUCF-UHFFFAOYSA-N 448.373 2.229 30 10 IEEE C[C@@H](NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268702400 VBWDVQVWJFFJSJ-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CCNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)nn1 2271501139 PIXWTOJNWJTLFK-UHFFFAOYSA-N 444.345 2.109 30 10 IEEE C[C@H](C#CC(=O)N(C)C[C@@]1(O)CCCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 2302424334 VCEUPLCTVIXAIY-DVECYGJZSA-N 429.561 2.389 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2303308998 XSOUNJQNQLEPLM-SLFFLAALSA-N 428.533 2.295 30 10 IEEE CN([C@](C)(C#N)Cn1cc(Br)cn1)[C@](C)(CNC(=O)OC(C)(C)C)C(=O)O 2377552072 JMJVPGZYKJOXHV-IAGOWNOFSA-N 444.330 2.228 30 10 IEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C(\C)c3ccccc3)n2N)cc1 21322198 XKSPPZNVVURWJC-OEAKJJBVSA-N 425.518 2.245 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 29251288 WDUZOLKAXFWGSQ-UHFFFAOYSA-N 431.500 2.048 30 10 IEEE CN[C@@]1(C#N)CC[C@@H](n2cnc(I)c2I)C1 304471590 ZIQZGEIGBNUXQF-XCBNKYQSSA-N 442.042 2.299 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 460809336 MTTRPXHEGZUCSQ-LSDHHAIUSA-N 425.580 2.446 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCCN(c4cccnn4)CC3)n2C[C@H]2CCOC2)c1 461518173 CRWXDKMOPXPIIZ-LJQANCHMSA-N 430.516 2.360 30 10 IEEE Cc1onc(-c2ccncc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479832683 VHQWUJQTYJZYSP-UHFFFAOYSA-N 437.481 2.063 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 508884518 HWZRQLBNTMNZLB-LJQANCHMSA-N 426.565 2.365 30 10 IEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 519200960 VAVVEDJXBVVLMQ-UHFFFAOYSA-N 448.932 2.409 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(Br)c2)C(=O)O)c(F)c1 525831440 ZSSNCLWYCGACPG-AWEZNQCLSA-N 427.251 2.434 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccccc3)c2=O)o1 527277611 IZLOCYFCKDOOCD-SFHVURJKSA-N 434.517 2.358 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(C)c(F)c2)c1=O 533120389 VXOMYEJEAQHDDX-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE COC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2ccccc21 536263314 LSVJNMOZFGSABC-SFHVURJKSA-N 427.482 2.186 30 10 IEEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(F)(F)Oc1ccccc1 555247340 IRXJFAXJUUSNEP-UHFFFAOYSA-N 446.502 2.383 30 10 IEEE Cc1ccc(C(=O)N2CCCN(c3ccccc3F)CC2)cc1S(=O)(=O)NCC#N 557719035 XOVUVQVIDDFQBB-UHFFFAOYSA-N 430.505 2.289 30 10 IEEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c(C)c1 603799779 SZRZMOOSXACMIS-SFHVURJKSA-N 439.581 2.042 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 604309464 UUVQDIGZXSUZCD-UHFFFAOYSA-N 444.451 2.249 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)ccc1F 609134252 UQYSPTFEOMBJDU-UHFFFAOYSA-N 427.461 2.254 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 610808928 HAKYGMQIMSWSEC-DYVFJYSZSA-N 429.502 2.239 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C 683734248 OCKCKKRRJBNPKO-UHFFFAOYSA-N 427.485 2.390 30 10 IEEE CNC(=O)c1cncc(/C=C/C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 731981981 NFSQREKCMOCJCU-VOTSOKGWSA-N 426.480 2.223 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 732155906 HYOOKZOVWGGXGW-XTQSDGFTSA-N 431.452 2.170 30 10 IEEE N#C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCN1C1CC1 732696928 SIJRAWHNKGPULO-SFHVURJKSA-N 444.561 2.141 30 10 IEEE CC1CCC(Oc2cc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccn2)CC1 733846337 CRAAHOKMPNZDAE-QZQOTICOSA-N 427.505 2.365 30 10 IEEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccccc2OCC2CC2)CC1 734751754 ZVLIIEJZIFRCFC-UHFFFAOYSA-N 429.546 2.253 30 10 IEEE Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 743917549 HWXGUUNRNFWSPA-VHEBQXMUSA-N 430.530 2.218 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1C#N 747499347 YZYWUICHAHCTRT-UHFFFAOYSA-N 440.353 2.496 30 10 IEEE CCCCCC(=O)NC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748244293 HPZRTIQRCDUSNX-UHFFFAOYSA-N 448.589 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 756889363 DGRHAUFDAXLVDG-JSGCOSHPSA-N 447.435 2.469 30 10 IEEE CCN(Cc1ccccc1)C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 769668841 QVUXLICSRPUBMZ-UHFFFAOYSA-N 443.525 2.097 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CCOC 772899922 JCDUTWLNMUBKHD-CQSZACIVSA-N 433.599 2.329 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)[C@@H]1CCS(=O)(=O)C1 774044778 CMEPXKWWMJWGRC-GOSISDBHSA-N 447.557 2.366 30 10 IEEE CC#CC[C@@H](NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O 776586717 FOHISKYINOYFLS-ZCFIWIBFSA-N 431.127 2.418 30 10 IEEE C=C(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 777467998 ROQBAEGFBDUQBK-SFHVURJKSA-N 434.562 2.279 30 10 IEEE COc1cc(S(=O)(=O)NC(=O)Cc2ccc(C#N)cc2)c(OC)cc1Br 781702072 VTTPAYYEDXOOGK-UHFFFAOYSA-N 439.287 2.386 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1 782842676 VEQIGRCWPDWTEF-UHFFFAOYSA-N 441.856 2.181 30 10 IEEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782884846 QLBSPNZURPDZRA-ZDUSSCGKSA-N 448.442 2.304 30 10 IEEE N#C[C@@H](C(=O)CSc1ccc2c(c1)OCCO2)C(=O)NCc1ccc([N+](=O)[O-])cc1 787052915 OQHUBFRLCAXJHJ-INIZCTEOSA-N 427.438 2.483 30 10 IEEE CCn1c(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)nc2cc(Br)ccc21 791957781 ISXGZICMWFMYBG-HNENSFHCSA-N 446.305 2.351 30 10 IEEE C=CCN1CC[C@@H](OC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1=O 798632787 DLJCHLPSNYOAKE-IUODEOHRSA-N 430.320 2.189 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccc(C(F)F)n1 807890240 GYDDYYWWQTVWAE-AWEZNQCLSA-N 437.472 2.328 30 10 IEEE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 813984125 OTKPBDZCQGKPIP-UHFFFAOYSA-N 437.525 2.180 30 10 IEEE CO[C@H]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 815381964 WRBOOJOOFGPZJG-RDJZCZTQSA-N 442.472 2.203 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 917493240 TUKKQNUAMAFSEK-FQEVSTJZSA-N 446.532 2.342 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1=O 1132575618 ICEGMUPFWIYXTO-QHCPKHFHSA-N 428.452 2.209 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 1157326960 LGQQKBXAXCCMRZ-GDBMZVCRSA-N 426.945 2.193 30 10 IEEE O=C(c1cnn2c(=O)cc[nH]c12)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807515 PYEOYFNFQOPPKU-HTQZYQBOSA-N 430.255 2.266 30 10 IEEE COCC[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1160703707 VFHDIWXEDBIBRB-MSOLQXFVSA-N 431.489 2.087 30 10 IEEE C#CCOc1ccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 1163327601 XJJGFBWYEOHEKZ-UHFFFAOYSA-N 431.470 2.240 30 10 IEEE COc1cccc(NC(=O)CN(C)C(=O)CNC2(c3cccc(C#N)c3)CCOCC2)c1 1196216265 BVERUFUEDVXGIO-UHFFFAOYSA-N 436.512 2.259 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nn1 1264175929 GIEYGUAMAFUZJY-UHFFFAOYSA-N 439.907 2.016 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cc3csc(CCC(F)(F)F)n3)CC2)c1C#N 1269302622 DEXWWOWKJBYOID-UHFFFAOYSA-N 426.468 2.443 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1279811236 AALOXUUZXQZBSP-MRXNPFEDSA-N 444.532 2.493 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)OCCCO2 1286465667 QPXGXJOXFIOYPG-LJQANCHMSA-N 426.517 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1286493180 LXVRFOBKCXBLQQ-CYFREDJKSA-N 443.592 2.171 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1286495321 YLZAGKNFSWLXPU-SFTDATJTSA-N 442.608 2.012 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1286652188 BNGKMQYTFLKKKE-UHFFFAOYSA-N 443.548 2.247 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286690593 SOKGFFJECUNQKZ-UHFFFAOYSA-N 440.596 2.278 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1286746040 NMMXDOKVNZVDPX-LJQANCHMSA-N 443.573 2.247 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286831194 BBZIHJFDFRKVGD-UHFFFAOYSA-N 429.594 2.216 30 10 IEEE Cc1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290793454 IFNVZNKFKNZEGB-XQDODVJUSA-N 436.516 2.156 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1294414810 DMTACEHFVCAKEP-IBGZPJMESA-N 438.532 2.356 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1295564881 CUPVQSBPGRXRJO-QUCCMNQESA-N 438.580 2.106 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N1CCOCC1 1300276150 HVUHYJSUWYVPTN-OAHLLOKOSA-N 433.459 2.253 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCOCCS(C)(=O)=O 1300287338 YWVXBVXDKXJQAT-CYBMUJFWSA-N 428.917 2.257 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1300291656 UPSGMESCQVULGD-YFUCQSNDSA-N 441.495 2.478 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300492032 LBACSKZGCAJFAV-AIADIJKESA-N 434.525 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCCC1 1300511762 CCJJRPUCDQBTPM-UHFFFAOYSA-N 429.322 2.154 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1300675431 RAZXJLSZYNEZRB-JTAQYXEDSA-N 426.565 2.167 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1 1300690353 IOIZNIAAHBLNGM-UHFFFAOYSA-N 428.924 2.196 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300896566 HBJSRPFPYPLMAO-UYAOXDASSA-N 432.569 2.134 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1301499904 GPCFBJSPNKTPDW-QUCCMNQESA-N 447.580 2.029 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC12CCCCC2 1301720676 BTCICIHBWCWYQQ-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1302148190 MDGSWEQVWHRKAM-FQEVSTJZSA-N 440.548 2.317 30 10 IEEE CC(C)[C@H]1CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1302746757 VTAXANSLNMXPDI-KHOFPDMRSA-N 435.532 2.415 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)CN1CCCC1 1306199503 GBFLZECRWCLNFJ-GOSISDBHSA-N 437.596 2.339 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1314542261 RUSRQSKHDLENRR-IRXDYDNUSA-N 446.577 2.102 30 10 IEEE COc1ccccc1Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)O 1315629182 KEOSFSGVXUAORW-UHFFFAOYSA-N 447.543 2.242 30 10 IEEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C(N)=O)CC2)o1 1316530060 GWILRSVZDZGSFR-UHFFFAOYSA-N 444.293 2.250 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)c1 1354285441 IYYFEOGYHBGHEC-DABWLCNRSA-N 432.546 2.134 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358961733 DNCXWDJRQNUULU-YRXWBPOGSA-N 438.594 2.208 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358962620 TWQAKGMIPOFNCY-KPLVRAHFSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1C 1358984922 KNXWUMJKBVGZRS-QGZVFWFLSA-N 439.541 2.454 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1359055410 CXIDKZMSHWRYQH-ROUUACIJSA-N 447.511 2.452 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359126542 SHSGWENVWSUUFC-RCCFBDPRSA-N 426.521 2.237 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359299742 MMOHKTIIIKZOJF-IBGZPJMESA-N 444.580 2.051 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)cc21 1440678976 ALUSOWQZRVQRDP-QFIPXVFZSA-N 432.528 2.326 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(CO)n3C)cc1 1441666091 PAJKPSVEANGCEP-LYBHJNIJSA-N 441.513 2.131 30 10 IEEE CC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](O)c1ccccc1F 1445805349 YXTBJZJWPPRKAG-PXNSSMCTSA-N 433.505 2.273 30 10 IEEE CC[C@@](C)(COc1ncccc1Cl)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1446501406 FBNVAQMQAULZRJ-IBGZPJMESA-N 436.921 2.249 30 10 IEEE C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NCC3(C#N)CCOCC3)c2)C1=O 1470139120 UQBXPBFELPAIPD-OAQYLSRUSA-N 425.489 2.031 30 10 IEEE C=CCN1CC[C@@H](n2cnc(I)c2I)C1=O 1473057183 WOFOOBZVRFXBBR-SSDOTTSWSA-N 443.026 2.052 30 10 IEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C1=O 1475242620 UOCXRLFHACZQFO-OAHLLOKOSA-N 426.336 2.348 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)CC2)c1 1478902775 ZUMHAIRLMZVLGP-HXUWFJFHSA-N 437.519 2.305 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1502524903 HTEAWDWGMGODKW-LJQANCHMSA-N 434.504 2.313 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(C)C)CC1 1503822326 IXOXSQSIELEGRU-UHFFFAOYSA-N 425.537 2.341 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1505272362 YORZTPXEPBGLID-ATZDWAIDSA-N 429.546 2.255 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCCC2=O)CCO1 1505322095 INYGHBUDOAHUFO-INIZCTEOSA-N 444.486 2.278 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1507590624 FOJFPBHIQFDYNO-MSOLQXFVSA-N 444.580 2.473 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1507590910 GLVGCJAMOCRATO-FQEVSTJZSA-N 434.544 2.304 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(Br)c1 1507621104 PPQXGESGPMKKPE-UHFFFAOYSA-N 432.322 2.289 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCSCC(F)(F)F)CC1 1507716110 MKOPGIBVCPGQLE-UHFFFAOYSA-N 446.543 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(CC)c2)CC1 1507736158 GGPZBZCSLXFOCG-UHFFFAOYSA-N 447.543 2.184 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC=CCO2)CC1 1507743106 ZIKRIXKOWZTWEW-FQEVSTJZSA-N 437.519 2.319 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507797808 MOVNVELZEUNLQT-UFYCRDLUSA-N 425.533 2.499 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)COC1 1507997931 ZYQURGRWGPJMHE-GOSISDBHSA-N 446.573 2.418 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1508061874 ZZNCQRRQAZVVNW-KRWDZBQOSA-N 428.512 2.258 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508161240 YRIBMRHNKNRTLP-RBUKOAKNSA-N 448.637 2.182 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1508415595 CHTIXMDJBOLSKO-QFBILLFUSA-N 439.589 2.427 30 10 IEEE CCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1514263332 GUZOCSIKJNBNGM-NQIIRXRSSA-N 431.562 2.239 30 10 IEEE CCN(CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1)C1CC1 1515741269 FSJBMXKBHGHCJZ-UHFFFAOYSA-N 427.578 2.494 30 10 IEEE CCOCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1516446041 FVLVOHNPRXDCPT-RXVVDRJESA-N 447.536 2.207 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC(F)(F)C1 1516846254 JDCXHNQOUBTJOW-UHFFFAOYSA-N 438.504 2.238 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1517472849 CVURLGHJVFBTCX-UVDDSOTQSA-N 442.589 2.326 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C(F)(F)F 1537411584 BOHAHTKSULYHGM-ZIAGYGMSSA-N 428.411 2.271 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1537491333 BZYDLXOMZYKSCT-LJQANCHMSA-N 444.532 2.231 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1539407934 VACOBVHDXHWZEM-QGZVFWFLSA-N 432.546 2.007 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2C[C@@H]2C)CC1 1539434954 YWHVUKVEBMXOCT-FUHWJXTLSA-N 425.533 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2sccc2C)CC1 1539468733 HYPHIMYQJBIIGL-KRWDZBQOSA-N 445.589 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2snnc2C)CC1 1539481471 AGZOBZJCMBDAMD-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(F)ccc2OC)CC1 1539490239 UMWCIGYXXQHJRR-HXUWFJFHSA-N 441.507 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539619389 FMBNFEOKHBCKTA-ICSRJNTNSA-N 433.578 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1539624317 SAYONUPIMBZFNO-UNMCSNQZSA-N 438.576 2.184 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)N(C)C)CC1 1539873849 FKBHMWTYIRZUTC-SJLPKXTDSA-N 426.631 2.267 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539924666 WWGSKMRKQKADLY-SFHVURJKSA-N 449.563 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1540863196 QZJIZSDGOCAWQW-VAMGGRTRSA-N 431.629 2.089 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 1540870494 OVNLPSYESOIBKA-QZTJIDSGSA-N 438.580 2.237 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1540875561 PPNZSKRBYRDPJX-CQSZACIVSA-N 448.980 2.228 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1540906797 BSURUBJZFOVWCJ-OAQYLSRUSA-N 447.536 2.115 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1541095591 HFIPQBAZLLAOPN-UHFFFAOYSA-N 425.518 2.348 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(C)(F)F 1541911017 HQRGFFJAYBIHMA-CYBMUJFWSA-N 426.493 2.442 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1555557640 YDZMHAPPNPCGLX-AVRDEDQJSA-N 426.521 2.353 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1555719886 LEMHINDXEUVMDH-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1556132270 HPSIIRCZQUCQEQ-VGWMRTNUSA-N 440.516 2.457 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 1557615600 HXNRERWEYJWLHM-PIGZYNQJSA-N 442.324 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)N2CC[C@](C)(C#N)C2)C(F)(F)F)CC1 1564644785 PIDHMPCELFOSLJ-KBXCAEBGSA-N 433.475 2.415 30 10 IEEE CCOC(=O)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1Cl 1583906442 NWJUHFMQFFZWBE-MRXNPFEDSA-N 449.916 2.189 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)c1cc(Cn3cc(Br)cn3)on1)CC(=O)N2 1584357145 ARLBKKAKVQNUQI-UHFFFAOYSA-N 427.218 2.152 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1588050816 VJBQNVMTNDWIMY-NRFANRHFSA-N 441.601 2.282 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1ccnc1C 1588229177 RTKKNJKHQVPBDY-UHFFFAOYSA-N 443.559 2.120 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1589403354 AABWSHIYRYDJDV-HDMKZQKVSA-N 427.343 2.465 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1593884165 DEMBJFZPYTZJKZ-CHWSQXEVSA-N 442.891 2.480 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1594962493 KWOMJLKPQIAVIF-UHFFFAOYSA-N 440.596 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1595501031 JVQASLBDUAHTLU-HXUWFJFHSA-N 445.531 2.169 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1596595048 CKYQYZSUJJYGCE-INIZCTEOSA-N 435.525 2.478 30 10 IEEE CCOc1ccc(Nc2ncccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1607490668 ZZILMFVABMXXKS-UHFFFAOYSA-N 432.440 2.055 30 10 IEEE Cc1nc(-c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)[C@H](C)CC#N)cc2)n[nH]1 1612385127 VZKLPRLZIJQAGG-OAHLLOKOSA-N 433.520 2.394 30 10 IEEE CN(C[C@H](O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C(=O)OC(C)(C)C 1620056267 AMXWMWWLXJNTHO-IBGZPJMESA-N 440.548 2.298 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)CCOC1 1629774613 QJLLKKANBUBZBF-VWLOTQADSA-N 449.507 2.227 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)nnc1-c1ccco1 1631832999 RQWJIOIYXUMCRP-CYBMUJFWSA-N 442.501 2.424 30 10 IEEE Cc1c(C(=O)NCc2ccc(C#N)c(F)c2)cc(Br)cc1S(N)(=O)=O 1639182987 BCQHSFODIZKKDC-UHFFFAOYSA-N 426.267 2.346 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)cc2)cc1 1639633522 FPIOVGATJJSNCJ-QFIPXVFZSA-N 441.509 2.122 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cn(C)nc2I)C1 1640221721 KIWXAWCLNZZCJX-AWEZNQCLSA-N 435.269 2.247 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1640898709 GEVOSORZOROROT-VSKRKVRLSA-N 449.507 2.229 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(OCCO)CCC(F)(F)CC1 1645739432 YAPXFHNKQLMNOK-UHFFFAOYSA-N 435.475 2.224 30 10 IEEE COc1ccc(Br)cc1[C@H]1NC(=O)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1=O 1651830825 DQGCKWWNIBNCAF-QAPCUYQASA-N 437.294 2.105 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@](O)(CN(C)C)C2)n(-c2cccc(F)c2)c1C 1654040954 VDFWKSRNZJBMPT-HSZRJFAPSA-N 427.524 2.432 30 10 IEEE CC(=O)N1CCC(N(Cc2cncs2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)CC1 1655435301 IPDZTUQMWHUCIE-UHFFFAOYSA-N 449.514 2.125 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)C1CCOCC1 1663819175 FXMBPOBNGRYQGO-ZDUSSCGKSA-N 427.320 2.329 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2)C(=O)OCC 1664952508 ZVYUNUIMTSMUOC-MRXNPFEDSA-N 426.922 2.338 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H]2CC[C@H](CO)O2)c1 1689868909 UZAZNFKIXOWJMV-LSTHTHJFSA-N 425.533 2.388 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1689910232 ARZVOHBNVYFCIU-UHFFFAOYSA-N 448.531 2.266 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689979422 AOMUWFXZQOHSSF-GOSISDBHSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@@H]1OC 1689998821 XVPXNENKCUQQOT-FPOVZHCZSA-N 435.528 2.272 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)[C@@H](C)CC 1690013365 LQCWYVDPFUWZAG-HTAPYJJXSA-N 442.589 2.108 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1690093853 MDXOAINXLQCFDO-ICSRJNTNSA-N 430.574 2.341 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1690182793 GULSVIMBYLFFRN-IBGZPJMESA-N 444.605 2.280 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCSC2)CC1 1690411783 UTBIXICCQDNANK-YLJYHZDGSA-N 439.651 2.020 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1690473847 JBKDCXQEIHHRJM-MRXNPFEDSA-N 431.562 2.407 30 10 IEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690493345 FKZLNMCOUPEEOH-QGZVFWFLSA-N 426.521 2.388 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1690523614 HQIYQADBSWSAHB-UHFFFAOYSA-N 447.499 2.275 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1692846470 NEOCJRKIBGFMKY-FDDCHVKYSA-N 435.532 2.182 30 10 IEEE C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1693829033 JNAZFMYWYLLPPJ-KBPBESRZSA-N 426.502 2.396 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1696731918 XQLLFGJFFSXLEK-ZPHPHTNESA-N 445.474 2.292 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(Br)n2)cn1 1696852120 RDKQNLFHRFMBSP-KRWDZBQOSA-N 431.273 2.326 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(Cl)ccc1OC 1698255868 WKFTUNPIAQVGLZ-FNHZYXHNSA-N 447.923 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1705495029 JTRNPRXAAQMALQ-VQIMIIECSA-N 432.546 2.463 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563752 DSNMUAGUHYFUIA-LJQANCHMSA-N 443.573 2.174 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccc(C)s1 1705615857 KTQLUHXFUIDMDU-UHFFFAOYSA-N 444.586 2.072 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OC)CC1 1705811226 ALRYPEXTLBHPIP-KRWDZBQOSA-N 448.593 2.190 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705899918 KTXRUKBVOQXJKF-UHFFFAOYSA-N 449.534 2.494 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1705906762 OABXRCGPAYVOGO-JOCHJYFZSA-N 438.557 2.364 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705940016 SLCOOCUKDXEEFY-JKSUJKDBSA-N 441.561 2.092 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706328798 JUCLDSJYISJNRU-GFGLJSBJSA-N 428.537 2.181 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1706632591 CIJVDCSDLIZPEG-UHFFFAOYSA-N 447.547 2.240 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)C1 1706934499 ATKLJXUFYGVLJN-PGRDOPGGSA-N 430.553 2.193 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)n1 1722426780 BOIYAHKZDSNMIC-AZUAARDMSA-N 444.580 2.110 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCSc2ccccc2)CC1 1722429387 LNWNMSKWZPPYJJ-UHFFFAOYSA-N 426.590 2.354 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccccc2)CC1 1722433400 UNOPDLUHLBINCB-DEOSSOPVSA-N 439.560 2.153 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccsc2)CC1 1722628045 RGXFHAORBNJDOL-SFHVURJKSA-N 430.578 2.206 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCNC(=O)c1cc[nH]n1 1722658017 RWOMIPUSCGHLRS-UHFFFAOYSA-N 429.488 2.081 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1722689054 PQMMHPXBZFOTQU-UHFFFAOYSA-N 447.543 2.163 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCS(C)(=O)=O 1722693852 CAASWUAUXNXLLG-UHFFFAOYSA-N 447.605 2.416 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)C1 1722718801 NCWCKARIYICLMJ-ROUUACIJSA-N 438.594 2.168 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1722862489 BYWUVBVARIXCSD-CABCVRRESA-N 443.533 2.187 30 10 IEEE CC(C)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1723216486 AYCIIXRCEXUHLX-VZCXRCSSSA-N 438.536 2.077 30 10 IEEE CCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)(C#N)CC1 1729157442 ZLGGVPUDZBSAGM-UHFFFAOYSA-N 431.566 2.405 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCCC1 1729195631 FKHVMDFVKFXTSB-GOSISDBHSA-N 444.605 2.420 30 10 IEEE COCC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1730624219 GMWJZVWJLICBME-QFIPXVFZSA-N 443.552 2.253 30 10 IEEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1730928019 WOVGFGGVLJNWCI-QFIPXVFZSA-N 437.504 2.387 30 10 IEEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1740578860 MSOKBJOLPTVOEO-GXTWGEPZSA-N 427.481 2.212 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1740609005 GFSICDSTKCMOML-SJLPKXTDSA-N 446.573 2.146 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1740629014 YRVUAEIDUIATTM-SJLPKXTDSA-N 436.484 2.083 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740849019 WTUXUWCHROFGEP-BZUAXINKSA-N 446.639 2.040 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740849020 WTUXUWCHROFGEP-HRCADAONSA-N 446.639 2.040 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)C1 1740953916 VSHKRUBDNLFFIX-LBPRGKRZSA-N 439.383 2.290 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740956782 ZXGWCUXWOJADPV-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSC)C1 1740976021 RUZUSUYNBKUVSO-SFHVURJKSA-N 426.550 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740985096 BFXLVNMBZJWHKM-JKSUJKDBSA-N 427.571 2.107 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CS(C)(=O)=O)CC1 1741800867 XWFHTDCSGVMDHU-CQSZACIVSA-N 432.506 2.416 30 10 IEEE C[C@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1742952289 DHXCWKVCPDPLLG-WMZOPIPTSA-N 438.532 2.103 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1748106491 OPAXNPMUXJVYEC-AEFFLSMTSA-N 432.532 2.094 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@@H]2C)c1 1748578322 FOLFCLHGYRHHMB-TWOQFEAHSA-N 427.505 2.364 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNS(=O)(=O)CC 1748639980 ORMIWWDVUFFEHH-SJLPKXTDSA-N 433.578 2.432 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC(C)C 1748650249 ZERJNYRDWOFGKV-CQSZACIVSA-N 441.504 2.332 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2ccc(C)n(C)c2=O)c1 1748694910 UFNQSMGJNSXJJI-UHFFFAOYSA-N 444.539 2.342 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cn2cccn2)cc1 1748875490 QHKLHNCAZBKNCB-GOTSBHOMSA-N 444.539 2.368 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1748991119 QSBJXFBYAVIXSM-NHCUHLMSSA-N 428.625 2.438 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749040127 NVGMHPCWQCIKAH-SFHVURJKSA-N 426.590 2.373 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1749051338 FNTIWVYMTTVIPP-OAQYLSRUSA-N 429.546 2.184 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749482210 DHDANKWLEXRVJW-KRWDZBQOSA-N 441.561 2.035 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CC2)N(C)C)C1 1749694435 RWFPMOZUCCPQLE-MSOLQXFVSA-N 425.537 2.047 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CCOCCCO)cc1 1750382969 MPDYJXLSTVZRDG-NRFANRHFSA-N 425.533 2.469 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1750504710 JMDXHLZHDQABCE-QGZVFWFLSA-N 439.520 2.043 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760188342 KBJMFBBLUBYIKR-LJQANCHMSA-N 436.541 2.027 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1760450534 MUJOSRGGTAOYMB-RTBURBONSA-N 438.594 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC2(CC2)C1 1760517414 LQOZXTYTXVRVHD-UHFFFAOYSA-N 429.546 2.031 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1760519668 LDVVDXDJYIAVGB-UHFFFAOYSA-N 442.527 2.149 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1761251897 JCQGMLIVXMSYJP-XXBNENTESA-N 438.532 2.116 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C#N)o1 1763194189 OXOMYCAPHYNSSQ-IBGZPJMESA-N 436.472 2.190 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1763761934 AXAPQNDIACHZGA-IRXDYDNUSA-N 437.548 2.036 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)CC1 1767149913 HUXOJGJIIWBHCE-RTBURBONSA-N 441.628 2.009 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769570666 BQOVLWXWMGNVNA-FKBYEOEOSA-N 435.569 2.236 30 10 IEEE COCCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1 1769846176 YTAPLSOGNDXKBA-UHFFFAOYSA-N 448.568 2.284 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC[C@H]1C 1770631317 KDZZOWYQNAEDDX-CJNGLKHVSA-N 436.438 2.356 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 1851196262 QVOGHQGCDYNEHG-CQSZACIVSA-N 445.435 2.473 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(Cc2ccc(F)c(C#N)c2)CC1 1851279522 KKBSTIXNWGRDOC-LJQANCHMSA-N 431.537 2.193 30 10 IEEE Cc1cccc(-n2cnc(C(=O)O[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)c2)n1 1852005199 CAQIOKNCPANJPX-NRFANRHFSA-N 447.495 2.384 30 10 IEEE Cc1cc(C)cc(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1 1852374352 SQQMRCGLTPIVAM-INIZCTEOSA-N 439.541 2.484 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)n(C)n2)c1 1852480543 ZBSXNQAIJYSSRL-MRXNPFEDSA-N 435.440 2.348 30 10 IEEE Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)N(C)c1snc(N2CCOCC2)c1C#N 1852640424 HWVVLAMVSMSHJF-UHFFFAOYSA-N 439.541 2.447 30 10 IEEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CSc4c(cccc4OC)C3)C(=O)C2)C1 1856837118 ICBGPNSAWPHXNA-RBUKOAKNSA-N 429.586 2.281 30 10 IEEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)NCC(=O)NCC(=O)O)cccc23)c1 1858944662 LJBPOYZUCJGODN-UHFFFAOYSA-N 446.419 2.253 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccccc2C#N)cc1Cl 1868137209 XVWFCYMPYLGZDC-UHFFFAOYSA-N 435.889 2.139 30 10 IEEE CCN1CCN(C(=O)[C@@H](NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868784469 XLDIQGGATTVAIP-FPOVZHCZSA-N 445.633 2.330 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(Cl)s2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870004910 PIRNADZNHGUOSJ-LBPRGKRZSA-N 441.966 2.205 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CSc1nnnn1C 1870229179 OXYWDGDDYFLHKS-UHFFFAOYSA-N 440.529 2.484 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)cc1O 1874240932 GNQKOVILGQRVCI-LSHDLFTRSA-N 443.485 2.127 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN2CCCC2)cc1 1890681256 GLDFDGDBNVVVIP-NRFANRHFSA-N 431.602 2.353 30 10 IEEE COc1ccc2sc(N3CC(C(=O)N4CCN(c5ncccc5C#N)CC4)C3)nc2c1 1892205001 LHVOOBMCIJNZSJ-UHFFFAOYSA-N 434.525 2.357 30 10 IEEE C=C(I)CN1CCOC[C@@]12COCCN(C(=O)OC(C)(C)C)C2 1992154021 UWWZMSDRSIRTIL-MRXNPFEDSA-N 438.306 2.273 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@@H](O)C1(C)C 2073264278 RTEYBQMSMBJYTL-GLDPYIMESA-N 442.560 2.277 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)cn1 2174783563 DINQKZUSLHDKRQ-LSTHTHJFSA-N 426.498 2.421 30 10 IEEE C#CCOCCOCCNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2189864661 PJXGYBBLZJXHBR-KRWDZBQOSA-N 430.423 2.407 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cccnc1C#N 2195258865 GTJUOUZKGIRRRH-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216465013 ZPIYSQYKGFMZHE-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224079237 HZDRZYZTQVGVIR-KRWDZBQOSA-N 432.374 2.344 30 10 IEEE CC(C)(C)OC(=O)NCCCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243371479 DVJYAMBKOJKGJY-UHFFFAOYSA-N 425.360 2.477 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)COC1 2247902641 WJJHQBZUPNNPNZ-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247906426 ZLFCCBSPCSPFFH-ZSHCYNCHSA-N 442.387 2.301 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247962510 OJVYCXMZOWVTRV-CVEARBPZSA-N 442.387 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830424 GAJHUEKNVMYPFI-CQSZACIVSA-N 434.346 2.086 30 10 IEEE CO[C@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2256021372 IAQDIQQDGURQMJ-ROUUACIJSA-N 433.358 2.296 30 10 IEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2256618086 OENQGQNLWJBRQI-INIZCTEOSA-N 432.330 2.375 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256641154 SUEQRTGIDWBRBF-AWEZNQCLSA-N 449.382 2.365 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]1(C(=O)NCc1ncc(B3OC(C)(C)C(C)(C)O3)s1)C2 2256678914 HLKMLWANVNSYAO-IPVJXJPOSA-N 449.382 2.458 30 10 IEEE CC(C)[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2267139744 KOVWBUOUWGUGFH-WMLDXEAASA-N 448.373 2.473 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2267142878 ADAQNSTUYQBULM-CABCVRRESA-N 446.357 2.038 30 10 IEEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267535231 UISBBEBDONWCLB-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267845788 SIEDYAZKIWJCMZ-UHFFFAOYSA-N 446.401 2.215 30 10 IEEE CCN(CCN(CC)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267880762 CLELQXSBEIKHGR-UHFFFAOYSA-N 448.373 2.495 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268606224 LDLSVZYPPINRNW-UHFFFAOYSA-N 448.264 2.237 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccc(F)c2)C1=C(O)c1ccncc1 2296936534 ZWTSGWGUBRXJQX-FQEVSTJZSA-N 425.460 2.365 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2312973506 BYZCEERRDZKFIE-DJIMGWMZSA-N 436.358 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306216 GTLHFTURPZDBNO-AWEZNQCLSA-N 437.321 2.250 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccnc1 2330778143 JGGXYCGCGOGGMH-UHFFFAOYSA-N 434.485 2.133 30 10 IEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccccc3)n2N)cc(OC)c1 20291742 XPQSROGFPLQVQB-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)NCCN2CCOCC2)cc1 22694490 LZZUDBRRGNMUBS-UHFFFAOYSA-O 449.547 2.179 30 10 IEEE COc1ccc(CN2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c(OC)c1OC 22808212 WELMNDPBUVZPCV-UZUQRXQVSA-N 432.565 2.273 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cc(Br)ccc2=O)cc1 109937915 PORIZNQEKNHNRO-OAHLLOKOSA-N 447.314 2.023 30 10 IEEE N#Cc1nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] 302753561 VXAPGQVFAXGGEV-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)cnn1CCN(C)C 406944589 OUHMIJCHDCQKNM-HUUCEWRRSA-N 428.375 2.384 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 438757058 SUWMJFYMEVJFPX-UHFFFAOYSA-N 437.548 2.304 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 440380892 HGJGUXCNIHLCDJ-UHFFFAOYSA-N 448.479 2.065 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cn1 462094875 CRIHQIXDKUEZMK-UHFFFAOYSA-N 437.426 2.257 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)s2)c1=O 482549932 BEPBJQBKAWAWHF-UHFFFAOYSA-N 446.557 2.266 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(N3CCCCC3)CCN(C)CC2)cc1 483481948 ZAKMXIKYNZEEHD-GOSISDBHSA-N 447.605 2.444 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(-c2ccccc2C#N)c1=O 487423533 YILUBNHSCWEJKJ-UHFFFAOYSA-N 443.532 2.157 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 508868930 XXILYPHCIRPXJR-GOSISDBHSA-N 431.562 2.090 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 508874992 SWGRXALWAHNZJX-HOIFWPIMSA-N 436.520 2.270 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC)CC1 509029514 FFYPKLUNMWPSRO-FQEVSTJZSA-N 436.000 2.352 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 509501001 CGIACZWNSPEBQB-SFHVURJKSA-N 442.541 2.345 30 10 IEEE CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518720530 VBGLRUJQTIYQSF-UHFFFAOYSA-N 427.570 2.365 30 10 IEEE C=CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 521134032 KPLANKAGEFVHKZ-UHFFFAOYSA-N 432.546 2.308 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC1 522317818 BZYWGRWITYSHER-QFIPXVFZSA-N 427.593 2.089 30 10 IEEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522635998 HFBLDBZJZKBRKW-GOSISDBHSA-N 440.887 2.471 30 10 IEEE Cc1nc(SCC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)c(C#N)c(C)c1C 541229773 RHGSIDRJRBIPSZ-KRWDZBQOSA-N 426.546 2.012 30 10 IEEE CCN(CC)CCCNC(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1Cl 546256171 MKTIWYGMYMGWEG-AWEZNQCLSA-N 431.928 2.465 30 10 IEEE COc1cc(C(=O)NC2CCC(Oc3nccnc3C#N)CC2)c([N+](=O)[O-])cc1OC 585356096 VSGKERIBWWONEQ-UHFFFAOYSA-N 427.417 2.394 30 10 IEEE CCCOCCOC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 586297924 AMCVLAVHOXALRK-OIJAAMDRSA-N 426.560 2.402 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 589321915 MQNRRGIAUPLTCE-UHFFFAOYSA-N 444.517 2.092 30 10 IEEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604001825 UHLBQSYFRVFCMA-UHFFFAOYSA-N 449.495 2.307 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 610809826 PIVSSURQHABUAW-UZLBHIALSA-N 437.525 2.059 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCc2ccnc(C#N)c2)c1 610956703 SCWPJDFVNXZQBC-UHFFFAOYSA-N 429.546 2.432 30 10 IEEE COc1ccccc1C(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 613156477 JNUQQRVBIZOGDQ-UHFFFAOYSA-N 431.456 2.137 30 10 IEEE Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 619850994 LMGPZHNXLDGIGT-FQEVSTJZSA-N 430.516 2.421 30 10 IEEE COc1ccccc1CC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 726555762 ARGCHDVPJLVRQM-UHFFFAOYSA-N 427.526 2.215 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 732795567 NHIXQASSJYVVHF-QGZVFWFLSA-N 442.585 2.375 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)/C=C\c1ccc(Br)cc1 733316581 VBASUWGCOIFONP-UUASQNMZSA-N 428.352 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)[C@H](C#N)C1 754380967 XZNYEZVDOURYAM-PYUISTEWSA-N 434.518 2.043 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 756753688 VZGRUTKULTXEBA-CYBMUJFWSA-N 445.335 2.164 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C[C@@H]1CCCO1 763304030 YHVJHDSZDIDEKL-ZDUSSCGKSA-N 434.290 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 769195822 CMDIDHACSOUKNY-WOOAAIBNSA-N 440.500 2.164 30 10 IEEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774261789 QLDJADBHXHLCCL-SFHVURJKSA-N 434.606 2.464 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2cccc(CN3CCSCC3)c2)cc1 780204501 IMNNCXAMZCTAFB-OAQYLSRUSA-N 425.510 2.322 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1cncn1Cc1ccccc1 781900250 YJMCCCCFOXVLRX-UHFFFAOYSA-N 438.509 2.494 30 10 IEEE C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 781991859 ICMQMVAMPRXYEQ-HXUWFJFHSA-N 441.509 2.070 30 10 IEEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)c1 798814859 YYFAKDODEWBJCW-LEWJYISDSA-N 436.493 2.386 30 10 IEEE CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 804651133 IEFZHNDJGXRNLT-UNEBPCJRSA-N 432.521 2.153 30 10 IEEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 812206055 SXNTYRFRNAZDGU-XDXAGZTOSA-N 427.505 2.039 30 10 IEEE Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(CN)cnc32)cc1 888084907 MYOYZYMVUPNYRE-UHFFFAOYSA-N 427.335 2.340 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917762107 JGTNPOHAWRQKDT-UHFFFAOYSA-N 448.548 2.442 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1C 1084567079 MATHLHAJIRDRRG-UHFFFAOYSA-N 442.549 2.404 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(C)cc(C#N)cc1C 1124219448 IQWINBIINQAEJZ-UHFFFAOYSA-N 443.525 2.386 30 10 IEEE C=CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1131081281 UDSJWVUFXLWBCA-UHFFFAOYSA-N 437.345 2.337 30 10 IEEE Cc1cccc(CN2CCO[C@H](CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)c1 1132371249 CPSVFRXFELDKSD-FYYLOGMGSA-N 432.524 2.237 30 10 IEEE CCS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)CC(=O)C=CO3)(c2ccccc2)CC1 1134301087 IYTVAKQXSDERGN-UHFFFAOYSA-N 446.569 2.234 30 10 IEEE CC(C)OCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C#CC1CC1 1137710561 KVNYVXJJLZAVDR-UHFFFAOYSA-N 449.573 2.286 30 10 IEEE COc1c(F)cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c(OC)c1F 1158589416 GIBAEWHFDJRBDO-UHFFFAOYSA-N 425.413 2.345 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1174688149 QCAMOXCAAUCUFS-SJORKVTESA-N 433.505 2.212 30 10 IEEE C#CCOc1ccc(CNc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1 1179067219 NWXLBZKXEYZBAD-UHFFFAOYSA-N 429.542 2.398 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N(C)CCOCc3ccc(C#N)cc3)cc2C1 1212034862 FSUGLUOKWFMKOR-UHFFFAOYSA-N 433.555 2.362 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1286279688 WOGNGZMLQMCXFM-KGLIPLIRSA-N 425.942 2.079 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCC2)nc1 1286395933 BMFBTPSDLIKUBD-UHFFFAOYSA-N 440.511 2.042 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cccnc1OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286396659 WVBZYBLAAFILAS-GOSISDBHSA-N 443.573 2.232 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286506810 OCNOXODVAODHLQ-LJQANCHMSA-N 437.573 2.132 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)OCCO3)CC1 1286638282 YDFRWRSMSKOHSA-INIZCTEOSA-N 447.561 2.059 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCCC)C1 1286807883 HBPDIXHYIQNQCH-ROUUACIJSA-N 426.521 2.243 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286812258 MSBDFRKVNSCSJW-UYAOXDASSA-N 446.573 2.116 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286832947 RKVUMHWKHARYOX-IRXDYDNUSA-N 445.593 2.099 30 10 IEEE CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1289274520 MNYXTVBKPOXENK-KRWDZBQOSA-N 425.489 2.396 30 10 IEEE CCOCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)CC1 1297429474 NUHHBYYXPPGAAG-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOCC1 1299910125 ICEUFAUMIMKNAT-KRWDZBQOSA-N 446.939 2.058 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300380629 DFNUYYBGDSBVHS-IRXDYDNUSA-N 443.891 2.389 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1300399745 PUBADJGXDKBOIV-FQEVSTJZSA-N 441.557 2.260 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1300488733 VJATYAQTQPQNAF-QGZVFWFLSA-N 432.546 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)C(C)(C)C 1300572589 XYJDAXJXOBHTGS-UHFFFAOYSA-N 442.541 2.350 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1300699930 JUMHVMCVUABFMI-AUSIDOKSSA-N 427.549 2.045 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@](C)=O)CCC2)CC1 1300711144 SXFKTJJWFKSFNZ-SAFKIGCLSA-N 447.649 2.253 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1300732544 BRWCWWOXTWEFOE-CQSZACIVSA-N 439.632 2.269 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1300732907 FNQDUCCIXHNFJP-NVXWUHKLSA-N 426.546 2.296 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(C)(=O)=O 1300872611 BPDKZGPMQFPVDV-LPHOPBHVSA-N 448.545 2.136 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCSC 1300883445 AYWZIYROBGVYBS-BBWFWOEESA-N 428.624 2.351 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1301246666 VQEHXOGAULTSBA-HXUWFJFHSA-N 438.536 2.375 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1301391187 RJGMRKGTDSDJNW-QGZVFWFLSA-N 430.530 2.178 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1301967434 DCTIUEXMCVNQLL-SQNIBIBYSA-N 430.578 2.301 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nc2ccccc2[nH]1 1302098815 QUTREEAVSBECHG-DLBZAZTESA-N 439.520 2.240 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nccc(C(F)F)n1 1303627023 BYBRHHKOFHPOLN-LBPRGKRZSA-N 427.419 2.440 30 10 IEEE C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)N1CCOCC1 1303724724 PFZSABOFVYZFJN-MRXNPFEDSA-N 439.564 2.122 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1305630593 WXGLTRIXWSZQHW-QGTPRVQTSA-N 438.488 2.236 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)c1ccccc1 1312939919 LQNYMCLERMVOFW-IBGZPJMESA-N 442.497 2.294 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1csc(CC)n1 1314389238 UPICQDRIEVEJKL-UHFFFAOYSA-N 438.561 2.475 30 10 IEEE N#CCCN(CC1CC1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCS(=O)(=O)C1 1316536022 ALNFTMIBLVZSOL-LJQANCHMSA-N 428.562 2.219 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCNC(=O)[C@@H]3c3cccs3)CC2=O)cc1Cl 1354777329 COIFPMUMAORQQB-ACJLOTCBSA-N 428.901 2.326 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1358956067 ZISRFRXZCYZOIE-LJQANCHMSA-N 444.601 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCn1cccn1 1359019662 CALGTQUGUFEDNH-UHFFFAOYSA-N 446.353 2.419 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1359033521 FTBKTSXIJXYGFO-UHFFFAOYSA-N 443.555 2.283 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1359039285 CERHSSLUWMHXIB-QGZVFWFLSA-N 444.992 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1359043653 CKSCIARGFZHSIV-UXHICEINSA-N 449.603 2.426 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359341880 JQRSTLNWCFABIZ-CABCVRRESA-N 447.565 2.233 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1359550762 NVYKJTSMJYPQHN-QHCPKHFHSA-N 438.532 2.117 30 10 IEEE C=CCn1cc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2n1 1439615199 OMFBGGQSLNQPHI-UHFFFAOYSA-N 446.554 2.486 30 10 IEEE Cn1cc([C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2(C)C)cn1 1450239958 TVZWEBAMYJWXJS-OALUTQOASA-N 434.500 2.149 30 10 IEEE CCS(=O)(=O)NCc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1453584271 XBJCMDCZNOIPFA-UHFFFAOYSA-N 427.526 2.433 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1454849444 JUDFYUFHOKJDCS-MRXNPFEDSA-N 449.573 2.364 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1ccc(O)cc1)Cc1ccco1)c1cc[nH]n1 1468714364 XENKFHQVFYASFJ-UHFFFAOYSA-N 426.429 2.221 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492567769 FRJWKVRQVGOTBG-LNVKXUELSA-N 449.559 2.310 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1=O 1504913154 YNCKVOMMKOBUFD-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507571387 YZRQPUJFSOBPHZ-QUCCMNQESA-N 434.500 2.467 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1507741349 QDALCJMQGWVSNF-PWHSHALESA-N 429.565 2.443 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1507803979 IAMZWDBARKVPRE-KUDFPVQQSA-N 425.468 2.349 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)CC1)c1ccccc1 1507850311 GLQJRHICXQONQF-VXKWHMMOSA-N 441.576 2.484 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1507865412 BWVXSQJNBCOPCQ-UHFFFAOYSA-N 443.914 2.462 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507942771 WGRSKANDMWCYGI-IAGOWNOFSA-N 430.505 2.289 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508147212 HCUPQPDFIGQYRI-INIZCTEOSA-N 436.626 2.467 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1(=O)=O 1509943655 FEVWCRCUJDUFJN-ZBFHGGJFSA-N 431.518 2.379 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1516420662 SQFZRPVZJACROP-CVDCTZTESA-N 438.532 2.212 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(C)o1 1516846068 AWCSIZUGKAMUQS-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1518977585 BSMAZOPFIIRYLO-ZRCGQRJVSA-N 441.532 2.367 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3(c4cccc(C#N)c4)CCOCC3)C2=O)cc1 1533082693 GDRJMBGDRRUJOE-XMMPIXPASA-N 446.507 2.456 30 10 IEEE C#CC[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1533967356 HXEHQUJJSZHISS-KRWDZBQOSA-N 432.542 2.120 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539112501 SLPYGZKUBJLCEU-UHFFFAOYSA-N 438.557 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)N(C)C)CC1 1539441117 LARIEQCMJVJOPR-MRXNPFEDSA-N 431.382 2.413 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)COC)CC1 1539474470 REHHMFFANWRDAW-QGZVFWFLSA-N 425.533 2.202 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1539750749 CGQUPHWNWXZSKT-IBGZPJMESA-N 439.560 2.398 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 1539966906 NFHAHOYPMXHBHN-UHFFFAOYSA-N 445.593 2.043 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1540047078 DSXZODHTLJSNGF-JTQLQIEISA-N 434.385 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(CC)C1 1540901699 MHWLZHFNSRBPRF-HXUWFJFHSA-N 435.550 2.233 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1541039256 BBRAYBDMFZGLLR-SFHVURJKSA-N 435.488 2.178 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@](C)(C#N)C2CCCCC2)C1 1543863394 CRUQDSUSOHZTAT-UZLBHIALSA-N 427.567 2.389 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3nnnn3CC)c2)s1 1543989236 KYZLKBAXEFYSLA-UHFFFAOYSA-N 432.531 2.067 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCCCO)CCO1 1555992626 XLRFLHVXJJSFJC-GOSISDBHSA-N 446.939 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643204 PJSDERHKYWHRKC-BIZBXSGISA-N 439.578 2.247 30 10 IEEE N#Cc1cn(C2CN(C(=O)C3(c4ccc(Br)cc4)CCC3)C2)c(=O)nc1O 1558805079 DKJIPVFQNXZTLE-UHFFFAOYSA-N 429.274 2.088 30 10 IEEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc12 1583811510 FYGABNVQTWQQSX-GUYCJALGSA-N 425.514 2.125 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(-n2cc(Br)cn2)nn1 1583812184 STEKPCXFPZGQMB-MRXNPFEDSA-N 427.262 2.102 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1588024852 ODISQOFOWFVODB-BZSNNMDCSA-N 433.553 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588124825 SNXCLGLYGAKWSE-LJQANCHMSA-N 441.543 2.222 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCN(C)C1 1588595162 NQQXFTKUEUNSCV-HSZRJFAPSA-N 443.617 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1nc2cc(OC)ccc2n1C 1588619793 FVZCRFYSENZDAA-UHFFFAOYSA-N 431.500 2.370 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1589089737 XTEIRPSPDJREDS-SFHVURJKSA-N 427.574 2.405 30 10 IEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1593629906 BUSNLDURHWBWBI-QGZVFWFLSA-N 445.568 2.183 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1593895676 TYRWPHIFQAPBID-IAGOWNOFSA-N 432.956 2.384 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 1595531347 LFWFSFFPFGEPRO-CTNGQTDRSA-N 431.558 2.280 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C)CC1 1595551863 XFVISXXCQRLUCK-KRWDZBQOSA-N 446.552 2.045 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CCC1 1595788671 GJPDEECOZZADIB-UHFFFAOYSA-N 442.545 2.431 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595900734 HWXVUIRQTALLEZ-RXVVDRJESA-N 432.594 2.443 30 10 IEEE CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccc(C#N)o1 1602812757 IZYYGNMZPSXEAM-QGZVFWFLSA-N 439.564 2.484 30 10 IEEE Cc1nc(SCC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c(C#N)c(C)c1C 1606728514 BSQWFTKMEJCLMT-UHFFFAOYSA-N 432.571 2.367 30 10 IEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1607956413 NHFZGFAOUFAJKL-RBUKOAKNSA-N 440.504 2.183 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)c1C#N 1609507771 SYUOJMRGQGZNHB-LBPRGKRZSA-N 425.518 2.343 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)C1=O 1611468920 HCSNRYFXNPMOMN-IBGZPJMESA-N 440.544 2.177 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)C1=O 1611468926 HCSNRYFXNPMOMN-LJQANCHMSA-N 440.544 2.177 30 10 IEEE CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC)CC1=O 1614883121 YTYDSJHVLKFGOW-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1617204167 OCXWOJWOAOYRSQ-PMACEKPBSA-N 427.505 2.149 30 10 IEEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1619608359 GAIVQTTZNCZFJH-TZIWHRDSSA-N 440.548 2.379 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C[C@@H](C)O1 1619736566 DXTSJQXCZRQPQA-XLIONFOSSA-N 440.548 2.219 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1619814040 PABOQQBQSVKNAV-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)C1 1620153188 QDAPZJYSKSZNBO-MRXNPFEDSA-N 439.488 2.459 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(Cc3ccccc3F)no2)ccc1F 1625863232 GLJADSWWGJXSLE-UHFFFAOYSA-N 448.451 2.333 30 10 IEEE N#Cc1c(CCCNC(=O)CCN2CSCCSC2)nn(-c2ccccc2)c1N 1629710102 QBUNFHICCYFEKA-UHFFFAOYSA-N 430.603 2.462 30 10 IEEE C=CCc1cc(CNC(=O)NCC2(N3CCOCC3)CCOCC2)cc(OC)c1OC 1630469300 RCMWFULPAKMYQX-UHFFFAOYSA-N 433.549 2.113 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 1636959831 XVOJHRFDTGZUEM-FQEVSTJZSA-N 440.935 2.344 30 10 IEEE C#CC[C@H](CO)NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1637989810 LJRRFMSUXYSOOJ-HXUWFJFHSA-N 429.561 2.436 30 10 IEEE C#C[C@@H](NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 1640925543 KQORRJBTXUVNQM-QGZVFWFLSA-N 432.464 2.309 30 10 IEEE CCCOc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(OC2CCCC2)c1 1641970195 BFDQUPDPYIVGCU-UHFFFAOYSA-N 426.473 2.361 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1647973569 HQEUSRWXHVZHES-UHFFFAOYSA-N 426.517 2.345 30 10 IEEE C#CCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 1651973077 CKGYSMLHPGXPSR-UHFFFAOYSA-N 443.500 2.006 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OCC 1663975973 OCKIJBVNBXHQIT-GOSISDBHSA-N 444.575 2.037 30 10 IEEE CS(=O)(=O)C[C@H](NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)c1ccccc1 1671055016 HEJOTBOWFSFKQV-OALUTQOASA-N 427.530 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 1671185570 XVTCJDMBLKBANV-SUMDDJOVSA-N 433.505 2.097 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccc(Cl)cc1F 1674035513 AZLMIZSJTDVSNU-GOSISDBHSA-N 445.944 2.235 30 10 IEEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)cc1 1685306378 RTLHTWQZIQVHNW-QGZVFWFLSA-N 427.482 2.151 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1685525438 YXFYXKCYXNAUTA-KRWDZBQOSA-N 433.921 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC1CC1 1689824206 JZPKWXQSYRRBGZ-KRWDZBQOSA-N 443.573 2.430 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1689930496 SKZQYPSLCWFECN-HKUYNNGSSA-N 431.562 2.222 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689979807 HQSQFKVHRXWYPD-ZWCUEREDSA-N 430.574 2.326 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(CC)C1 1690236119 INGBUYVZLRBGFU-CLWJZODNSA-N 425.599 2.496 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690315554 FBXHUYYQENVTKU-UHFFFAOYSA-N 437.548 2.475 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1690319738 XEUXBMJPLKBWIC-GOSISDBHSA-N 431.512 2.110 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCSC2)CC1 1690411780 UTBIXICCQDNANK-FXAWDEMLSA-N 439.651 2.020 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690510013 QDMQFBKFXUVTNK-LJQANCHMSA-N 425.533 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1690669046 RXGNIDPLERVCSG-UHFFFAOYSA-N 434.460 2.115 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690742051 FJLIQILJSYWVNA-HOTGVXAUSA-N 431.566 2.299 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1Cc1ccc(C#N)o1 1691178736 XUMZQHNNZOZFKQ-UHFFFAOYSA-N 448.531 2.200 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1692662223 GVKGKCQDFLKQSK-RDJZCZTQSA-N 448.618 2.038 30 10 IEEE CN(CC1CCCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696746788 HFXONOIFTQNAHF-UFVMTTLYSA-N 428.537 2.325 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1)OC 1697767126 MPUDVMORMIVLLT-LSTHTHJFSA-N 429.521 2.251 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nncn1-c1ccccc1 1698231264 WJXHVXAYQGFIKG-ZWOKBUDYSA-N 436.520 2.227 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1705543976 AZKJRVYDIPEREQ-GFCCVEGCSA-N 441.326 2.351 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1705559411 AGDIVRLCIFKUFA-RDJZCZTQSA-N 432.546 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1C 1705576405 KIPSKNBHUASMNQ-UHFFFAOYSA-N 448.552 2.020 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1705630941 LYZYDHFUASTXNT-MSOLQXFVSA-N 434.585 2.386 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1705659133 MFWDRZMQFZTSBM-UHFFFAOYSA-N 438.557 2.266 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1705667621 YGPXYJHZFLQTIZ-SFGWALBWSA-N 444.605 2.183 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)CC1 1705780816 HGNYQQXBVLNSEN-QRWLVFNGSA-N 425.599 2.232 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccnn1C)C1CC1 1706238184 KBSMYIJADXOFDS-UHFFFAOYSA-N 432.532 2.491 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)C(C)C 1706422172 OUJAKKDZGDMOAM-UHFFFAOYSA-N 438.580 2.232 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccccc1)OC 1708756766 HJKYHRCPYYDKOI-WOJBJXKFSA-N 440.548 2.183 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1710839939 YCPNNWFXMPSKDW-UHFFFAOYSA-N 446.559 2.316 30 10 IEEE COc1cccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1711935296 HKTJEXFUEBERQE-KSFYIVLOSA-N 442.495 2.432 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712181873 AISYEQQMTUOJEQ-DOTOQJQBSA-N 432.475 2.157 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1722292898 KIANMHIMZHWHMW-ROUUACIJSA-N 433.560 2.475 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1722360741 VPNOMVBKMQYXNH-OAQYLSRUSA-N 446.536 2.081 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1722361439 NCTOZAKZGUORLS-HOTGVXAUSA-N 435.500 2.402 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722371067 GSTZNBKYPMZKDO-IBGZPJMESA-N 434.606 2.454 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722459290 HHAJCRKFVHSIHQ-SJORKVTESA-N 440.635 2.331 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1722497822 DRGBRXGJKRTAIW-HRAATJIYSA-N 432.521 2.423 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1722503401 CROSZKQOEGMYMS-HQRMLTQVSA-N 427.553 2.197 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1722694531 YFOZRYWBPXIPKO-UHFFFAOYSA-N 430.516 2.236 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1722698219 WICJSLPWZUSOOE-MOPGFXCFSA-N 440.596 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1 1722727186 GPJAQKACOUWBKA-PMACEKPBSA-N 446.573 2.178 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@H](C(F)(F)F)O1 1726666273 IRRFOYWXJLDMSF-PBHICJAKSA-N 439.438 2.372 30 10 IEEE COCCN(c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CC[C@@H](C)C1 1730737289 AJLJYRZRTFSTKB-AXHJYSETSA-N 428.537 2.323 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2CCOCC(F)F)c1 1731180241 FUMCJNPUPOERTG-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1740580832 JKIFZLRIEWHIHY-IBGZPJMESA-N 442.951 2.380 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1740588393 SABJREHWWVYOTQ-INIZCTEOSA-N 432.322 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C1CCCCC1 1740644498 IULQOLYZWWFFDQ-UHFFFAOYSA-N 447.543 2.179 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740794038 ZBRGEUDKIGKVJR-UHFFFAOYSA-N 426.565 2.495 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740856436 UCPHZBRBTSAJRO-NRFANRHFSA-N 433.578 2.381 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741609817 JZIJRGQXGGQZMD-MRXNPFEDSA-N 425.537 2.047 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(F)F)c1 1741927882 WSQMTEFXHJKSQC-XIKOKIGWSA-N 442.467 2.316 30 10 IEEE CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1743995660 ZXBTYMCHNBUWLZ-HKBOAZHASA-N 446.596 2.038 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1746463740 DVZXXRGSWPFAFM-NRFANRHFSA-N 429.613 2.330 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(C)cn1 1747395589 GLRZZKKNWXRSNY-QGZVFWFLSA-N 441.561 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ncnn1C(C)(C)C 1748835789 ITAXHXHCFMXPEU-UHFFFAOYSA-N 433.516 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CCCCC1 1748848430 DRYFDHDUYMMZRF-UHFFFAOYSA-N 432.572 2.372 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)n1 1748971242 JBLCUQBMHSISCA-GOSISDBHSA-N 449.515 2.168 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 1748999793 FZQOSQABJAKLPM-NRFANRHFSA-N 439.560 2.094 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1749064668 FPGIQAMHCBRZKC-HYFFOGBASA-N 430.553 2.382 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@@](C)=O)CC1 1749086504 HTUFCWYZVNTBHH-HZAQMHFWSA-N 433.509 2.219 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1749456470 GENUZXVEHLOMIN-QFIPXVFZSA-N 440.527 2.487 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCSCC(F)(F)F 1751930345 NBSVPKLNCCCSTJ-GFCCVEGCSA-N 426.472 2.259 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCS1 1752387488 HBBNHWUCAYOINM-ZYSHUDEJSA-N 429.546 2.210 30 10 IEEE C#CCN(CC#C)c1nnc(C(C)C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760193756 PNKJAVDHEVWCHF-FHWLQOOXSA-N 427.549 2.499 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760224875 BNMQMVVZGZPYKY-GCJKJVERSA-N 446.573 2.044 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCCCC1 1760249246 YCRMNWZTCMTBIT-UHFFFAOYSA-N 442.564 2.356 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CC[C@]2(CCOC2)O1 1760250478 IVFKCQDLUOAFCL-AUSIDOKSSA-N 428.508 2.432 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 1760363649 SDOURWCJOZUMAF-NEWSRXKRSA-N 449.552 2.119 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1760440625 NNLCYBBTVSMLCJ-IBGZPJMESA-N 449.552 2.279 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1760522958 ICNRKWNOHBMBRW-SFHVURJKSA-N 441.923 2.212 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCc3nn(C)c(=O)cc3C2)cc1 1760531590 UDMAAZGKXSBOEG-UHFFFAOYSA-N 436.516 2.084 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)CC1 1760533740 UTYBVXZGWJDIKD-HXUWFJFHSA-N 427.549 2.164 30 10 IEEE COCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771026212 DHFAWVWPEZPJMC-GOSISDBHSA-N 447.547 2.452 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CC2)nnc1N1CCC=C(Br)C1 1771564220 AWDPUHALBDPCLR-ICFOKQHNSA-N 433.310 2.171 30 10 IEEE N#C[C@@H](COC(=O)CCCN1CNC(=S)NC1)Cc1ccc(Br)cc1 1850754078 NRQVORWHTZAFIK-AWEZNQCLSA-N 425.352 2.149 30 10 IEEE CCc1ccc(-c2ccc(=O)n(CCC(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)n2)cc1 1852435168 NPVSLOOCLOUBST-HXUWFJFHSA-N 445.479 2.493 30 10 IEEE C=CCN1C[C@@H](C(=O)Nc2c(-c3nnc(C)n3CCc3ccccc3)cnn2C)CC1=O 1852761966 CNAIJMVRVNYZLG-SFHVURJKSA-N 433.516 2.203 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)Cc3nc4ccc(Br)cc4[nH]3)CO2)nc1 1853057561 ATAYSYXERJAMHC-CYBMUJFWSA-N 428.246 2.498 30 10 IEEE Cc1oncc1CN1CCN(C(=O)CCON=C(N)c2ccc(C(F)(F)F)cc2)CC1 1853556063 FCAAUWQRQIBEAH-UHFFFAOYSA-N 439.438 2.373 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(Cl)c3)C2)C1 1857477226 HHGMYWSYBSUGBI-CQSZACIVSA-N 425.876 2.144 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](CS)C(=O)O 1882736600 TZVWCDUERBDLCX-CHWSQXEVSA-N 447.351 2.384 30 10 IEEE C=C(Br)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960075233 VEVXJPNLBRKLLB-MRXNPFEDSA-N 433.299 2.181 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccnc1I 1985073945 ZWYYOXVSBXGMEU-SNVBAGLBSA-N 430.246 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)CC2(C#N)CCC2)C1 2006290270 SPCBAFICIXATJF-UHFFFAOYSA-N 449.573 2.494 30 10 IEEE C[C@@H](C#N)N1CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2010542205 CFYJVVKJZOWTMI-ICSRJNTNSA-N 429.565 2.068 30 10 IEEE C#CCOCCOCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2015733197 VZJLHTQQANNXKQ-ICSRJNTNSA-N 434.533 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060636300 WNMQSAJIICZOKS-DLBZAZTESA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2080221986 UZVOVQRYEAQNDR-RTWAWAEBSA-N 442.560 2.497 30 10 IEEE C#CCn1ncc(NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2108697352 GYUVEGITZTTWFR-QQVUYCAZSA-N 429.290 2.446 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2174779249 HESLQMMEFCJKPB-IBGZPJMESA-N 429.498 2.183 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@@H](O)C#Cc1ccccc1Br 2227468424 ADXJDGTWOZYUFG-HOTGVXAUSA-N 444.347 2.099 30 10 IEEE CON(CCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247832994 YYANSWIDPLBMHG-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255814178 YNVRXQLALCDPPS-MELADBBJSA-N 449.382 2.428 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2257487276 XDVVNRIGJUHKMF-HZPDHXFCSA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2259926597 PIQAWIBTRKVWNW-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)n1 2267149189 JHDDCDFMFASOOL-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267215320 CKTWIYDFXDZHDS-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267477065 GYFNHTBFFBYCHF-QWHCGFSZSA-N 441.259 2.052 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267502201 KIMYYCWGAHGREU-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2267584623 JIJLSOZTTGODHB-ZWKOTPCHSA-N 446.353 2.004 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268652054 DFQOGZJVVGMBFJ-JKSUJKDBSA-N 447.341 2.344 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1OC 2296099248 XMCVEFJSELXDDQ-HXUWFJFHSA-N 425.485 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2318494867 VZJMSQIQMDWKIK-CWRNSKLLSA-N 431.342 2.442 30 10 IEEE COc1nc(N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339785556 YAOLVTQTICOUDC-STQMWFEESA-N 443.275 2.425 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)C#CC2(S(C)(=O)=O)CCC2)C1 2367839027 JNGKGLCVGOGJPW-GHTZIAJQSA-N 433.526 2.342 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1CC2=NO 2381952050 NYDLBEUOQQIKGY-QWQRMKEZSA-N 433.530 2.247 30 10 IEEE COc1cc(/C=C2/Oc3cc(OCC(=O)N[C@@H](C)CO)ccc3C2=O)cc(OC)c1OC 97530583 JBNWJKQQRJXENN-VXSOZLBZSA-N 443.452 2.204 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)c1OC 102749639 CFOVIXIDBJMZOK-LAFOYAEKSA-N 442.516 2.037 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 107785928 KWQXRVZTWZLTJU-FQEVSTJZSA-N 435.503 2.222 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cc2csc(N3CCCC3=O)n2)cc1 109935158 XMPNHLSRHIKTQT-MRXNPFEDSA-N 441.538 2.224 30 10 IEEE CCOCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 252673066 QVYDLCRQAUPQHN-UHFFFAOYSA-N 442.479 2.392 30 10 IEEE CC(C)(C)OC(=O)N(C[C@H]1C[C@@H](S)CN1C(=O)OCc1ccccc1)S(N)(=O)=O 381798192 QQSZFCYKQUSUKB-HUUCEWRRSA-N 445.563 2.137 30 10 IEEE CSc1nc(O)c(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)cc1C#N 410171797 MBJDYOMQNBDAIW-UHFFFAOYSA-N 440.934 2.133 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCn2c(nnc2-c2cccnc2)C1 428840923 PHQGUWCCKXMQPJ-KRWDZBQOSA-N 431.500 2.500 30 10 IEEE CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431218424 LEVSAQSKEYQJAN-CQSZACIVSA-N 447.626 2.333 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 447265473 HEZIFWCGBONJRI-UHFFFAOYSA-N 449.374 2.249 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 460809334 MTTRPXHEGZUCSQ-GJZGRUSLSA-N 425.580 2.446 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 466109740 VWDJMSJIULPNRS-UHFFFAOYSA-N 434.543 2.151 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3cnn(-c4ccncc4)c3C(F)F)CC2)c1C#N 469865176 UUXLJVJBRHVYRX-UHFFFAOYSA-N 426.431 2.081 30 10 IEEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 473305762 LFFHBQRJVZNQLI-HXUWFJFHSA-N 449.511 2.190 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C(C)C)c1=O 478752904 HXQDUWQAGOIINQ-UHFFFAOYSA-N 447.564 2.110 30 10 IEEE O=S(=O)(c1ccc(N2CCOCC2)c(NCC#Cc2ccccc2)c1)N1CCOCC1 479431015 XPLBZEVUCQYJKF-UHFFFAOYSA-N 441.553 2.008 30 10 IEEE CC(C)[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nnc2ccccn12 486498190 MOZSFTPUBPLKPT-AZUAARDMSA-N 431.500 2.398 30 10 IEEE COc1cc(CC2CN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc(OC)c1 489658441 JWPOKFSKWBBTHT-UHFFFAOYSA-N 428.510 2.191 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCSC[C@@H]1CCO 511293050 YMZOPHQEJHFHMM-ZDUSSCGKSA-N 429.336 2.425 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)cc2C1=O 535631600 NUPBLGCDPOLISP-DENIHFKCSA-N 433.508 2.081 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1ccccc1 542732787 STCWLMDCQOVRGP-UHFFFAOYSA-N 448.504 2.145 30 10 IEEE N#Cc1cccc(N2CCN([C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)CC2)n1 546204083 JHMJXLSWHUJKAN-KRWDZBQOSA-N 429.402 2.426 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(Cl)cc2)c1=O 552010678 ZCVHTSRNHYJISW-UHFFFAOYSA-N 438.940 2.467 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 555256707 PGOWJYXMQGXMLN-UHFFFAOYSA-N 441.536 2.420 30 10 IEEE C=CC[C@@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 559239626 KTAIQLPBDCYONH-PZJWPPBQSA-N 435.572 2.309 30 10 IEEE CCOc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2ccc(C#N)cc2)cc1 586145179 FODRQMOCPYNWCS-UHFFFAOYSA-N 429.542 2.480 30 10 IEEE COC(=O)CCN(Cc1ccccc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 609608852 VSCLUNGABQKNAJ-FQEVSTJZSA-N 448.479 2.355 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1Cc1ccon1 679925126 WDEJBDQOXREJBB-UHFFFAOYSA-N 430.489 2.222 30 10 IEEE CN(S(=O)(=O)c1ccc(F)c(C#N)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 728577550 QNXHXLQLAHEMBG-UHFFFAOYSA-N 433.826 2.268 30 10 IEEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1C 730143497 VWDSYBAKDZLARW-MRXNPFEDSA-N 426.970 2.294 30 10 IEEE C[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744367961 IALVKCSJIKUTFC-HZQMFNGWSA-N 435.505 2.454 30 10 IEEE C#CCN(C(=O)CN(C)Cc1nnc(C)n1C)[C@H]1CCOc2ccc(Br)cc21 746259771 PKFBJETUXJPGFE-KRWDZBQOSA-N 446.349 2.303 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)cc1 752844044 DWDQPASJGDPUFH-IEBWSBKVSA-N 438.532 2.079 30 10 IEEE COC(=O)COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc12 758648203 GLLQSXSZHBPKMG-MRCUWXFGSA-N 438.440 2.040 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760400306 IZMCNELQUOGBQI-LJQANCHMSA-N 448.520 2.274 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1c(F)cccc1Br 771867651 HMCQIIOUCFJLFC-UHFFFAOYSA-N 427.251 2.370 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc2c(c1)OCCO2 782941401 LUWHNQAGLPIION-HNNXBMFYSA-N 441.431 2.481 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC[C@H]2CCOC2)C1=O 784117475 GDDKUIPFLDSSAG-MAUKXSAKSA-N 436.553 2.252 30 10 IEEE COC(=O)CC1(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCCC1 791767021 DQOCLPLESKJMHR-QJOMJCCJSA-N 436.534 2.497 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc([C@H]2CCCO2)[nH]n1 792683230 RLAOTMVXHCSQII-MRXNPFEDSA-N 431.518 2.499 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)c1ccc(F)cc1 793204039 DTNKXYFTKLZYNM-HNNXBMFYSA-N 425.482 2.184 30 10 IEEE CCOc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOC)cc1OC 802515976 UIPKQZYHTHNRQG-GOSISDBHSA-N 426.521 2.175 30 10 IEEE Cc1ccccc1[C@H](O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 804508476 UZGWXOFZOOBWBU-OAQYLSRUSA-N 427.526 2.006 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807941659 RSWIJHSMQOCFTP-AVGNSLFASA-N 448.455 2.494 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 811958846 HSTBROIVWUHLSQ-MRXNPFEDSA-N 426.922 2.166 30 10 IEEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 812090006 FFMGXPIBWWPJER-KRWDZBQOSA-N 434.541 2.363 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] 1084092876 ZZAZITYKDYMUAY-UHFFFAOYSA-N 442.461 2.173 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nc(F)ccc2Br)c1 1125489869 ZWAGCFVREMTHAD-UHFFFAOYSA-N 446.276 2.470 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 1130824575 OVHLJBQADPVEQM-INIZCTEOSA-N 434.920 2.371 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C 1151409195 CBCUERGXMIPEFT-HNNXBMFYSA-N 443.591 2.066 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1157495384 AKTWPONZFWGRHC-SJORKVTESA-N 431.599 2.366 30 10 IEEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 1179020503 BJMHBIFQCXKVMD-UHFFFAOYSA-N 425.470 2.138 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1251282685 LQNVANKIFSXBDU-UHFFFAOYSA-N 434.497 2.102 30 10 IEEE CNC(=O)[C@H](CNC(=O)CCc1c(C)nc(O)c(C#N)c1C)Cc1ccc(F)cc1C 1277221530 IYOLKAUHAHOWFL-KRWDZBQOSA-N 426.492 2.377 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286319859 XAXBCCOXSVDKLZ-KNQAVFIVSA-N 435.576 2.132 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1286384219 QFYWWYCFEKGFIO-IEBWSBKVSA-N 441.582 2.197 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286397466 ZOLLKFNRFLGMHY-OTWHNJEPSA-N 436.578 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1286431687 XMZORCHSHAYWJR-RXVVDRJESA-N 446.555 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)C(C)C)CC1 1286475191 ZAJUDLZAESDJJO-QHCPKHFHSA-N 427.549 2.125 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286504008 NDDUDLPIYQOHPJ-UHFFFAOYSA-N 433.541 2.064 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286505726 LAQASEKXGIJHSA-SFHVURJKSA-N 444.992 2.445 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@]2(CCCOC2)O1 1291217715 HDLYEEZOIYJMKM-SBUREZEXSA-N 438.532 2.069 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2c(OC)cc(OC)cc2OC)c1 1293234171 IWHKWXOSNAYACJ-UHFFFAOYSA-N 431.510 2.482 30 10 IEEE CCC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1293878241 WCKPYDHPGFQPCU-KKSFZXQISA-N 431.562 2.239 30 10 IEEE Cn1nccc1C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1298905592 WRUIDZLSPWMKSC-UHFFFAOYSA-N 435.532 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1300303218 HHNCDEVCRWXUMW-OYHNWAKOSA-N 437.573 2.489 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 1300879694 FASFNCLOUMVGJS-DOTOQJQBSA-N 437.470 2.401 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)CC1 1301111727 CAMUOZQWASFYBZ-UHFFFAOYSA-N 434.522 2.147 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1301491717 VVHAHYOJFXJEEJ-UHFFFAOYSA-N 435.507 2.104 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1301920788 PMFSWHYYXIGCNY-GOSISDBHSA-N 437.529 2.377 30 10 IEEE C=CCCC(C)(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1302189249 HWEWTOXPGGZQOK-UHFFFAOYSA-N 435.590 2.408 30 10 IEEE C=CCC1(O)CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1303790503 GUOGQOKFHQZRSO-UHFFFAOYSA-N 434.334 2.450 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(=O)NC[C@@H]3c3ccccc3)C2)C1 1303952626 IPMVKQXRHPLHCL-AAXCNWCCSA-N 438.528 2.473 30 10 IEEE CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312470131 NJIPCZIYZFRKRG-CGTJXYLNSA-N 443.504 2.412 30 10 IEEE COc1ccc(CNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1C#N 1313213750 RIFONQQVSGFGHS-AWEZNQCLSA-N 430.262 2.087 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1314506027 SNQXYKFINWIUBJ-IBGZPJMESA-N 436.520 2.118 30 10 IEEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)(C)C)CC2=O)cn1 1314905130 NNQICNJQYNYKSG-UHFFFAOYSA-N 448.531 2.219 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1315531516 HOKGDPGXZZLALD-VGSWGCGISA-N 444.511 2.028 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@H](C)C2)cc1 1315536494 GWHNMXLEEYKSSI-RXVVDRJESA-N 440.548 2.326 30 10 IEEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2cnc3c(cnn3C)c2)CCCN1C(=O)OC(C)(C)C 1320698889 GUZJDKQABHUFMU-FQEVSTJZSA-N 449.533 2.119 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 1350333190 CMHRCSPFHSDSIE-GOSISDBHSA-N 431.518 2.304 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1358926253 IQJJZPVLWVTZRL-UHFFFAOYSA-N 435.576 2.324 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1358940209 QZVSJRWYTRNHMH-QHCPKHFHSA-N 444.532 2.462 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(CC)CC 1358948976 PUXATLGOLVGWHJ-ZWKOTPCHSA-N 435.619 2.394 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358971771 IGAXLRGLZOLZFD-IBGZPJMESA-N 447.461 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1358983038 SNSKYRPQNKXTOD-JOCHJYFZSA-N 434.588 2.264 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCOCC1 1358987903 WURPDMAPRIIIBU-UHFFFAOYSA-N 437.544 2.148 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)cc1 1358994141 GFALFJUVQJORKZ-QGZVFWFLSA-N 448.495 2.293 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359034812 DDWCGUMMNDUAEF-OAQYLSRUSA-N 444.624 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)C2CC2)CC1 1359046616 ZBGJWMLRKONYKS-DEOSSOPVSA-N 439.535 2.135 30 10 IEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1359078433 BZICCLNFICKPOA-UHFFFAOYSA-N 427.324 2.097 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(CC)C(=O)C1 1359091780 RTKDQMZKXYHATQ-NSHGMRRFSA-N 435.569 2.042 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccco2)CCOC1 1360334420 PQRBVQYXPXRBGG-QFIPXVFZSA-N 442.520 2.082 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccncc1Cl 1360676697 VBSATNZKVRKFDU-CYBMUJFWSA-N 437.957 2.115 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@@H](c3ccc(CC)cc3)C2)s1 1448456975 XRJIBVGDWUQUPQ-LJQANCHMSA-N 433.599 2.490 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1450974602 RLAAZCMIHQPXHM-GJZGRUSLSA-N 428.555 2.209 30 10 IEEE C=CC1(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)CN(C(=O)OC(C)(C)C)C1 1452365244 PDQIEERNYWVGGK-IBGZPJMESA-N 426.521 2.431 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)cc1 1453637973 HEJWSLFQRSGEOI-UHFFFAOYSA-N 444.500 2.451 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)nn1 1464960934 GIIVZROGTUERIG-UHFFFAOYSA-N 431.522 2.037 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc4nccc(C(F)(F)F)n4n3)C2=O)cc1 1467705744 CVJHICPCZHJZKI-CQSZACIVSA-N 428.374 2.151 30 10 IEEE C=C(CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1 1468713397 IZNCFOGYPNJSCS-QYZOEREBSA-N 434.558 2.486 30 10 IEEE C#C[C@@H](NC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 1469257338 ADAGRFXKUUAXSS-VGAPYMQISA-N 442.313 2.230 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1)C1CCOCC1 1470312012 NJOWZXKJYRTICW-XRHIAGSSSA-N 436.599 2.243 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 1471671899 VBMGSZREIOPCSY-UYAOXDASSA-N 443.525 2.420 30 10 IEEE C#C[C@H]1COCCN1CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OC(C)(C)C 1473539604 KDIQYWWNBXWUPK-AWEZNQCLSA-N 436.530 2.461 30 10 IEEE Cc1noc(CCCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1493123637 RPFPVVKKPWJCHX-UXHICEINSA-N 433.488 2.085 30 10 IEEE COc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)cc1 1504305068 GRNONMQWLZUFKF-HNNXBMFYSA-N 436.472 2.046 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H](C(C)C)N2CCOCC2)c1 1507550618 NHCOMUSAGHGGBL-NRFANRHFSA-N 438.576 2.254 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507564401 PJSCRVNXRDAVJM-MRXNPFEDSA-N 427.471 2.480 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507748028 LPZIMWVASVCQRU-INIZCTEOSA-N 434.587 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1507763323 AHXXVNYILQFUQN-IIBYNOLFSA-N 431.562 2.075 30 10 IEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1507869783 XRPIQOQLAJYRFW-LSDHHAIUSA-N 438.916 2.068 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CNC(C)=O)CC1 1508079068 NELZVPNQPHRHLL-UHFFFAOYSA-N 447.543 2.148 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(C(=O)OC)CC1 1508092693 FPRUEEIJUNLFAC-UHFFFAOYSA-N 441.532 2.111 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)CC1 1508105710 SVQJNOXYKSMNGJ-HXUWFJFHSA-N 425.533 2.454 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1508231599 GXBNYVNZMGHWMR-UHFFFAOYSA-N 448.531 2.074 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1COCCO1 1509210751 HRAZONPXTRIDEY-SFHVURJKSA-N 428.512 2.229 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1511631453 CDPYMCOYZAFPHG-UHFFFAOYSA-N 432.532 2.330 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)C1 1517679575 CDUKSCVVGOOVII-JTSKRJEESA-N 425.489 2.297 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1531928064 HBOCPRHEHHYBOU-RDTXWAMCSA-N 426.304 2.158 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1539133889 KXTHGBQSQRDSGQ-CTNGQTDRSA-N 426.609 2.461 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCN(C(C)C)CC1 1539161661 KFGOMVQABSWMSB-UHFFFAOYSA-N 427.549 2.267 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539211223 JGULULLFRGGJLF-OALUTQOASA-N 445.589 2.260 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1539985755 QAFXIZWHLSJWGL-IAGOWNOFSA-N 432.502 2.429 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1540095172 XVRPRCZBVMPTJD-VBKZILBWSA-N 437.566 2.161 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1540125835 ASTXVDAWWXADLP-IBGZPJMESA-N 433.578 2.256 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H]1C 1540134217 UGCUTJAJVMWOIH-NEWSRXKRSA-N 431.562 2.385 30 10 IEEE CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1541702316 AUOJYVVTTKGZNN-UHFFFAOYSA-N 425.512 2.093 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1542180156 AYYRTTZWWIRMEK-ICSRJNTNSA-N 442.560 2.311 30 10 IEEE Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1542349646 IVQSAZBAYJQZKE-BQOWYSNXSA-N 428.518 2.315 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(Br)cn(C2CC2)c1=O 1543896199 KKQAONBNYCQXFO-UHFFFAOYSA-N 448.277 2.485 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(C)=O)cc1OC 1547949395 DYVUDTTZQGSVDI-NRFANRHFSA-N 430.484 2.321 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CCN1S(C)(=O)=O 1555954381 LTDDSAUJCIFGJQ-BXWFABGCSA-N 446.552 2.425 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1555987502 ILCJJENUYBDXQR-KRWDZBQOSA-N 447.465 2.170 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2CC[C@H](C(F)F)N2CCOCC2)c1 1555987597 JPSXRQNNBOUHPM-GOSISDBHSA-N 432.475 2.009 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C1 1557243214 OGAZOIZRCAWLQA-LJQANCHMSA-N 433.443 2.096 30 10 IEEE N#Cc1nn(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1[N+](=O)[O-] 1559443642 JBGAHDBSQJLHND-UHFFFAOYSA-N 443.773 2.079 30 10 IEEE C=CCCOCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1564480664 CWAPQIMJWCOSGH-SFHVURJKSA-N 440.585 2.469 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(Cl)cc1F 1565003099 QIWQPNOEIVRKJC-ZWKOTPCHSA-N 444.960 2.407 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3cccc(S(C)(=O)=O)c3)C2)C1 1569083862 DJQUPXRWSFKUDM-JQHMZKTJSA-N 447.557 2.493 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588045902 SZVYDMSILQEHFE-IIBYNOLFSA-N 448.976 2.386 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1588049307 DXVFFMCXVRFLOA-LJQANCHMSA-N 428.558 2.424 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588049406 GHKHNKHIKLMGCU-AZUAARDMSA-N 433.622 2.437 30 10 IEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1589036457 IBBCGULYSQOENT-UHFFFAOYSA-N 435.557 2.321 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1593746393 DAVOULZNBHJMAY-DLBZAZTESA-N 426.583 2.024 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1593872493 HZOPTNVIQMEMEC-VXGBXAGGSA-N 429.930 2.016 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594687558 UHMMXQHSKDQBHQ-HNNXBMFYSA-N 445.593 2.180 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1595544042 FIZJHWQMVHOIHP-UHFFFAOYSA-N 428.497 2.184 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1595788962 LWIUGKXWLOMXEL-WDSOQIARSA-N 443.573 2.212 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1613478333 IECKECFTADSQIN-VQTJNVASSA-N 443.573 2.374 30 10 IEEE CCOC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1616061851 QRBMMDYUSSKIOH-FUHWJXTLSA-N 440.552 2.321 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1617638935 QPHXZNIVGSPZSV-JTDSTZFVSA-N 446.502 2.482 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)n[nH]2)c1C 1617762690 LEYBKRFPAQDJGJ-SFHVURJKSA-N 448.527 2.486 30 10 IEEE CO[C@H]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619483219 FOXMBXDXEUXXMB-MJGOQNOKSA-N 426.569 2.457 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCC1 1619912503 FGNOICRBWFSXBQ-HXUWFJFHSA-N 426.521 2.253 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1620291165 QPHYNBFECLFERD-IBGZPJMESA-N 440.573 2.397 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCCC2)C1 1620345468 BRRJANSGPHDYEN-FQEVSTJZSA-N 427.484 2.453 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1)C(=O)OC(C)(C)C 1623026760 GSGWASBWHBVMRE-UHFFFAOYSA-N 443.544 2.223 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1625650968 XFZFOMZCDNKFHF-LEWJYISDSA-N 425.526 2.390 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 1627061283 DWUFHEZERQJXMI-DLBZAZTESA-N 435.546 2.020 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1627141509 JLGQKMWJBWPMMF-UHFFFAOYSA-N 447.536 2.144 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)s1 1628178436 GBGPTMDBUNMEMU-UHFFFAOYSA-N 431.580 2.174 30 10 IEEE CN1C[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)N(C(=O)OC(C)(C)C)CC1=O 1629227215 IISZGRBVVSAGPF-HXUWFJFHSA-N 434.496 2.498 30 10 IEEE COC(OC)C(=O)N1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 1632561682 COESMIYJOMVWAG-UHFFFAOYSA-N 448.951 2.108 30 10 IEEE Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCC#CCN(C)C)cc([N+](=O)[O-])c1C 1635386756 UIIZXOCBGCEKKA-UHFFFAOYSA-N 444.513 2.307 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)s1 1636117605 KCHZSVXQCBZJIW-QGZVFWFLSA-N 435.571 2.091 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)cc1 1637178327 BNOYIRFGQSEVQA-WOJBJXKFSA-N 428.510 2.221 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1637579372 BNLFZOJDGZEKTE-INIZCTEOSA-N 430.567 2.042 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(C(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)CC1 1641371218 GUUKUMSDZOBWHY-UHFFFAOYSA-N 446.429 2.468 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)cc2)cc1 1643590457 XUARJIKVHOVFDE-NRFANRHFSA-N 438.553 2.135 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccccc3OCCOC)CC2)c1 1652813198 ZOXBKQCZGSLIHI-UHFFFAOYSA-N 436.512 2.163 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1652905345 GITJOVHFEPPTSI-IAGOWNOFSA-N 428.537 2.027 30 10 IEEE Cc1oc(NC(=O)[C@H](C)N2CCn3ncc(I)c3C2)c(C#N)c1C 1655680257 CSCBESPZEWFPRI-JTQLQIEISA-N 439.257 2.412 30 10 IEEE CC1(c2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2)OCCO1 1672353339 OXUVTCJJPJWJJE-OAQYLSRUSA-N 434.496 2.378 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 1676740387 FMXWLKZIZAOGFM-UHFFFAOYSA-N 425.464 2.427 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1)[C@@H]1CCCO1 1686184936 UKXGDFAMJLHTKI-SFTDATJTSA-N 447.601 2.425 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689980159 MWHVIAIGSILVDJ-WZONZLPQSA-N 442.585 2.036 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689988677 ULCYEMPTMISUIH-GOSISDBHSA-N 444.557 2.238 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCN(CC)CC1 1690021443 VOXNYZJKGJDBPH-IBGZPJMESA-N 440.542 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccs1 1690033102 QBDZQYJUHJXHSN-INIZCTEOSA-N 433.603 2.391 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1690059420 PSIIVFNPMVVABY-ZDUSSCGKSA-N 425.555 2.257 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccccc1Cl 1690106437 WNFDQLVHGDPQNM-QFIPXVFZSA-N 445.951 2.048 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2C)n1 1690109396 PUUHKPVNGYJCNW-NRFANRHFSA-N 447.543 2.069 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2)CC1 1690328185 GXVQWCXJFDMGSG-INIZCTEOSA-N 438.985 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690724637 TUHTZBCZCDIWQG-MOPGFXCFSA-N 438.594 2.373 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC1CC1 1694085544 UWNZPKQMCDNPBH-CQSZACIVSA-N 444.561 2.151 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1696588894 NDHDDZJFLNSJSG-UHFFFAOYSA-N 434.422 2.253 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705564288 ANNUTDIWGVHFLC-AEFFLSMTSA-N 444.557 2.258 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705637179 MIEYHMKKMPYKFP-QFIPXVFZSA-N 440.567 2.196 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(CC)CC)nc2)CC1 1705640846 IECAOQWWEAJCDA-UHFFFAOYSA-N 444.587 2.309 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1705643026 QCIUKVRKAYKGOQ-IBGZPJMESA-N 438.576 2.146 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705754512 ZSORWCAPHRIZCJ-HNNXBMFYSA-N 446.939 2.466 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCOC1 1705877900 PVJWZGOEMFGXLG-DEOSSOPVSA-N 448.527 2.312 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705902398 DDQVWHODUASIGK-CYBMUJFWSA-N 439.442 2.057 30 10 IEEE Cc1n[nH]cc1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1706998750 GLRYIRYULRICRR-IBGZPJMESA-N 439.545 2.104 30 10 IEEE COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1712462873 QHJBNTILYKQFJE-UHFFFAOYSA-N 437.479 2.236 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(N(C)C)CCOCC1 1712637756 VSBUQNCPWSNKIS-PMACEKPBSA-N 446.596 2.243 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1712883329 WSWQHRCYDQVTSO-KRWDZBQOSA-N 441.923 2.250 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722368456 RVZXIXHZFGFXSE-RBUKOAKNSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(=O)NCC 1722375460 CTVMNKBRSRVLAA-UHFFFAOYSA-N 445.365 2.281 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1722402762 PYKKOOIOSRHWDL-ZDUSSCGKSA-N 425.942 2.058 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722456079 SATGGNGECRJXHV-UHFFFAOYSA-N 438.561 2.110 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1723876260 DXESHCXWVLDWGG-GOSISDBHSA-N 434.548 2.155 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC(F)(F)C1 1723928511 HLHKFTKFPFMXSP-DZGCQCFKSA-N 430.525 2.454 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@]2(CCOC2)O1 1726665826 ACPAEESBQQBHLC-JTSKRJEESA-N 443.573 2.317 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1731188971 DATKFNHIYQSIBF-IRXDYDNUSA-N 442.486 2.175 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740624273 HOKNHOKMJXJBCF-VQTJNVASSA-N 433.622 2.122 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H]2CCCCO2)CC1 1740707255 VTRNVLOBSVYPHQ-NRFANRHFSA-N 436.560 2.189 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@H](C)O)cc2)C1 1740982474 UXRDYKBVIRNREK-FFZOFVMBSA-N 446.573 2.063 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740983104 BCGNYMKOCYSHQW-RBUKOAKNSA-N 437.610 2.074 30 10 IEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1742935390 BDOPPRWZGIPZKA-JBYIUTFZSA-N 431.560 2.324 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748804513 IPNLCTPVVPBOSB-FUHWJXTLSA-N 446.573 2.484 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1748808213 BJCRTKZQAXJSRE-ROUUACIJSA-N 432.546 2.005 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1748925828 ONOCWBMKMYDLKI-QGZVFWFLSA-N 432.569 2.377 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749208055 ZCRXLUNPSPSKIK-QFIPXVFZSA-N 429.521 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCc2ccccc21 1749721636 PXKYHVMMRVPBII-LJQANCHMSA-N 443.573 2.239 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1749911065 LONDWQSMVMYUNI-UHFFFAOYSA-N 449.515 2.141 30 10 IEEE C[S@@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1750219165 GQOHWNGBZIYDOT-WJOKGBTCSA-N 441.605 2.371 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC4(CC3)COC(=O)N4)n2CCOCC(F)F)cc1 1750383059 OJPQXULGWUYCLY-UHFFFAOYSA-N 432.431 2.177 30 10 IEEE CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)C2)CC1 1750906484 BOSYYTANIWWGJT-OAQYLSRUSA-N 437.592 2.192 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1751157290 DKNOWGNKKGCIGA-LPHOPBHVSA-N 425.493 2.314 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1752418115 QHSRBDVBDGGTNM-QGZVFWFLSA-N 447.561 2.169 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN(C)C(C)C 1760097387 DRWKGBNQRMQFQN-MSOLQXFVSA-N 446.621 2.235 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1760117549 QFMIBBXHSQUCSF-CRAIPNDOSA-N 432.546 2.462 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760180752 KPULFXXUTOHGEJ-CEWLAPEOSA-N 443.617 2.397 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1760205986 ORMHLRFVWVMFLM-NRFANRHFSA-N 445.633 2.011 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1760225613 ULAIFKKUHGUUSX-CQSZACIVSA-N 439.969 2.253 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CC(F)(F)F 1760232620 JEUAWZDRPGUSML-UHFFFAOYSA-N 426.443 2.350 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(OC)CCOC2)CC1 1760264415 MPJBXLGMUSFYPA-JOCHJYFZSA-N 445.951 2.071 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nnn(C)n2)CC1 1760392661 YNUULFRMSRURRS-UHFFFAOYSA-N 445.325 2.348 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1760405781 GNFVJIWHKJUBBG-UHFFFAOYSA-N 449.552 2.434 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1760557009 WXMZSWUBGQUIOK-PWRODBHTSA-N 444.601 2.497 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1760685429 WMGSQDDCGOOJAX-QHCPKHFHSA-N 438.532 2.262 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1763661054 GVPYICXROYQNRY-FQEVSTJZSA-N 432.532 2.484 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1763773680 PNEGBDIGMITSSY-HOYKHHGWSA-N 435.576 2.464 30 10 IEEE CCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1766295354 DFSGXEVPEYACDS-QZTJIDSGSA-N 427.505 2.356 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(S(C)(=O)=O)CC1 1767984055 QQSNTBWBMMGVEA-MSOLQXFVSA-N 429.546 2.135 30 10 IEEE COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1770711188 CFVXOSSUCYBOCB-GOSISDBHSA-N 431.562 2.361 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)OC 1770760717 CZDRMEMJVUVOAT-NYDSKATKSA-N 441.532 2.252 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc(C4CC4)n3CCSCCCO)CC2)cc1 1771533550 OZBJNRPPBMAQLQ-UHFFFAOYSA-N 426.590 2.465 30 10 IEEE CON=C(CN1CC[C@]2(C1)C(=O)N(C)C(=O)N2C)c1sc(-c2ccccc2)nc1C 1852363047 ZQLLTMCBLBPGSV-NRFANRHFSA-N 427.530 2.437 30 10 IEEE COc1ccccc1-c1ccc(N2CCC(C(=O)N=c3nc(C)[nH]cc3C#N)CC2)nn1 1852494376 VAJCAGUGCIQGQZ-UHFFFAOYSA-N 429.484 2.399 30 10 IEEE N#Cc1ccc(C(=O)CO[C@@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)cc1 1852800509 RLCSARRQXSEIID-IBGZPJMESA-N 426.494 2.222 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NCC3(C#N)CCOCC3)cn2)CC1 1852918588 AYEDVBBWKGOQPU-UHFFFAOYSA-N 429.521 2.189 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(Cl)c2)C(=O)C12CCCCC2 1854394759 FXICUMVZXYMRQW-UHFFFAOYSA-N 427.885 2.320 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862704845 KDSATNBENSYXOE-ZUOKHONESA-N 425.437 2.426 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cccc(OC)c3)CC2=O)cc1 1870159592 QCKGANGXGNWBDS-AWEZNQCLSA-N 432.440 2.148 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)B1OC(C)(C)C(C)(C)O1 2247901396 KCJAEKQDMWWOLI-CABCVRRESA-N 448.366 2.441 30 10 IEEE C[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248401110 FPHSUUQHDKLXFE-DOMZBBRYSA-N 440.371 2.110 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248433296 IKPJSAKGYKIEMQ-LLVKDONJSA-N 440.375 2.137 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255626943 MBOCHHUDGVUFGO-KBPBESRZSA-N 434.346 2.179 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)o2)OC1(C)C 2255708664 LWTZASXVLNHTLD-UHFFFAOYSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256618743 SCXGYWSFWPDDEW-VHDGCEQUSA-N 449.382 2.314 30 10 IEEE C=C(CN(C)C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256620028 DEOZENOZTVMSEQ-MRXNPFEDSA-N 434.346 2.492 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256621013 PKUMEWZNERRKRM-WBMJQRKESA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267264918 YATZCZGCPNBRDX-CGTJXYLNSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267266049 NACPJMZVXWUXII-YQQAZPJKSA-N 443.353 2.366 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267527511 IQVSDKHHRBJAIJ-IBGZPJMESA-N 438.381 2.313 30 10 IEEE CC1(C)OB(c2cncc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2267589045 UWTAXIWVPOCVNQ-HNNXBMFYSA-N 441.259 2.054 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268637951 GSYWXNIXONRERI-WMLDXEAASA-N 446.353 2.149 30 10 IEEE COc1cc(/C=N\N(CC(=O)O)CC(=O)O)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169880842 JKXALVMJSWQFLV-NKVSQWTQSA-N 431.401 2.296 30 10 IEEE COC(=O)c1c(C)oc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C#N 170493346 GHERSISUWYWBCR-UHFFFAOYSA-N 440.368 2.169 30 10 IEEE COc1ccc(-n2cc(CNS(=O)(=O)c3ccc(C#N)c(Br)c3)nn2)cc1 433874075 IGIAMAYSZKBTAA-UHFFFAOYSA-N 448.302 2.389 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccccc3O)C2=O)cc1 436626837 LQFROYVXFPWIFY-WOJBJXKFSA-N 432.480 2.180 30 10 IEEE Cc1csc([C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C2CC2)n1 466085310 QELQPZQOAUUPPC-GOSISDBHSA-N 445.570 2.490 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 468732835 FYBUDACIINNVQG-INIZCTEOSA-N 441.513 2.229 30 10 IEEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 471926475 DKAQNASVWJRSRN-INIZCTEOSA-N 433.324 2.168 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 491000818 XLBBTWKWKAZFSU-RXVVDRJESA-N 430.512 2.205 30 10 IEEE C=CCCOCCCCC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506844952 PCCNKNKNNYQGHH-FQEVSTJZSA-N 431.581 2.131 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCC4CC4)cc3)cc2C1=O 507795935 OZSSUMGSFKPSLP-UHFFFAOYSA-N 439.493 2.409 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CN4CCC[C@@H]4C(N)=O)c3)cc2C1=O 516680073 QPDLUMCTDBJNTK-HXUWFJFHSA-N 432.480 2.171 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 522319155 KUQAOMFXORGWIB-MRXNPFEDSA-N 428.512 2.010 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1-c1ccccc1C 525686760 WZVANUWEPMNYCA-UHFFFAOYSA-N 439.924 2.119 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccc(OC)cc3)cc21 526835945 JQXKMHZVPAHMGF-WJOKGBTCSA-N 442.493 2.177 30 10 IEEE N#Cc1ccc(C2(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)cc1 527076152 GFMDLAYAQPUSBZ-UHFFFAOYSA-N 429.473 2.389 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 533131978 KSPJRNWTPNOBEL-UHFFFAOYSA-N 437.481 2.274 30 10 IEEE CC(C)C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 537453558 BIYADNLCJCDVGU-OALUTQOASA-N 434.562 2.168 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](C(N)=O)c3ccccc32)CC1 540574739 FRKYNIQLNMVBRV-IFMALSPDSA-N 435.503 2.014 30 10 IEEE CC(C)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1nnc2ccccn12 542544719 MCOSPHFQMVYYME-LAUBAEHRSA-N 437.573 2.487 30 10 IEEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 544885143 PCENVQYTGZMCTH-KRWDZBQOSA-N 427.530 2.037 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)n1 570220417 FMGLZYJWJMCBDJ-UHFFFAOYSA-N 443.594 2.329 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccnn2-c2ccccc2)c1=O 577498751 XILACYFNIJVYCV-UHFFFAOYSA-N 430.464 2.158 30 10 IEEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 581897315 WEWMEXXUFMQUOQ-SFHVURJKSA-N 444.580 2.394 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c(F)c1 609944611 QXLRDTHDJCIREJ-UHFFFAOYSA-N 449.486 2.239 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)CCN2CCCS2(=O)=O)n(C2CCCCC2)c1C 610615291 ZZMNXUWROVXWAI-UHFFFAOYSA-N 435.594 2.388 30 10 IEEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730708442 FTNRNVYQUWZUIM-HOCLYGCPSA-N 440.529 2.270 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 742295728 ONTJTSBINDKAAZ-TZIWHRDSSA-N 446.573 2.037 30 10 IEEE COc1cccc(C#CCOC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)c1 771615000 MWUPHOMOFPJAPP-XMMPIXPASA-N 436.464 2.374 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2cc(Br)ccc21)c1cc[nH]n1 772145715 KFLVXGCNGDVKKL-CQSZACIVSA-N 435.278 2.260 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 780980781 BIGOUIDGDHKSQR-QGZVFWFLSA-N 435.550 2.367 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 783013701 NCAFTCBMLJAAMX-UHFFFAOYSA-N 434.389 2.464 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)cc1 784126797 FTFWEQRPNZRWAU-HKUYNNGSSA-N 432.590 2.421 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 790238681 UEPIMMKULBVEQS-QHCPKHFHSA-N 436.597 2.345 30 10 IEEE CCN1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1=O 801671497 QQKLQVMIJYORHG-XBYUIDQRSA-N 435.550 2.022 30 10 IEEE COCCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2ncccc2C#N)CC1 802392400 KIXMOQONNHGWHS-HXUWFJFHSA-N 431.500 2.194 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cnn(C)n2)C1=O 807929390 VMKUGQPETPDSAS-CYBMUJFWSA-N 427.317 2.390 30 10 IEEE CCN(C)Cc1cc(O[C@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)ccn1 856586814 UEOIANJKPKPUTO-NRFANRHFSA-N 428.558 2.332 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)n1 856708808 OVHHSDFALHBCQS-QFIPXVFZSA-N 425.489 2.209 30 10 IEEE CC(=NOCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)C2CC2)cc1 912949958 OXOZOZOEBGUMFL-FQEVSTJZSA-N 449.573 2.447 30 10 IEEE Cn1cc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(=O)n(C)c1=O 920804407 QIRUMHJEZPAZLQ-ZHRWSRJISA-N 428.420 2.375 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2nc(C)cs2)n1N)c1ccc2c(c1)OCO2 1084589270 WVEXZNKVTQUPJR-UHFFFAOYSA-N 446.518 2.052 30 10 IEEE CN1CCC[C@@](O)(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 1141878432 WMFOLIUGRORTJT-YVNGDZKUSA-N 436.578 2.065 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 1153530828 SGZZHJRVMXGKGM-LJQANCHMSA-N 446.523 2.215 30 10 IEEE CCc1csc(-n2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cn2)n1 1161802130 INHUWBXDVVWWRW-UHFFFAOYSA-N 425.470 2.409 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(Br)cc1-n1cnnn1 1165488805 CYUCHJGYWZBWRB-QGZVFWFLSA-N 427.262 2.102 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)c1 1168641429 AEHKENXPWMNAFW-MRXNPFEDSA-N 425.470 2.455 30 10 IEEE COCCN(CC(=O)NC1(C#N)CCC1)C1CCN(C(=O)OCc2ccccc2)CC1 1171700088 GNYNUNGWWKIYBK-UHFFFAOYSA-N 428.533 2.298 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1n[nH]cc1C(=O)OC 1209065351 QMYCKMFZYVCZOX-UHFFFAOYSA-N 432.271 2.475 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OCC 1213383543 TUQASGSPJRLKDP-HNNXBMFYSA-N 435.329 2.158 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)c1 1252563646 WLWPFSIJBJDMSG-UHFFFAOYSA-N 442.483 2.366 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286399154 ZWWBUFUKACBUHO-QZTJIDSGSA-N 443.573 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)noc1C 1286424733 IWPGVLPPMYHDEH-UHFFFAOYSA-N 427.472 2.037 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCS(=O)(=O)C1 1286452087 BFIQCFQHDTWIEU-QGZVFWFLSA-N 432.546 2.150 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1286471384 MCQIMHLJLWOADD-LJQANCHMSA-N 438.576 2.059 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1286506357 TUZICHUYZOPWRE-UHFFFAOYSA-N 442.564 2.368 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)OCCO3)CC1 1286638283 YDFRWRSMSKOHSA-MRXNPFEDSA-N 447.561 2.059 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286711655 ODGFIKOFFMVPSU-LPHOPBHVSA-N 427.505 2.050 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1286732203 MPHJYAKCAHMMHZ-LZLYRXPVSA-N 425.599 2.494 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286792355 VKQZJHWSZMZOQI-ZWKOTPCHSA-N 442.564 2.087 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286824547 YBDUPEXEKWALOV-GOSISDBHSA-N 447.609 2.054 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1286966082 PRCGYOKEVMXDQA-JLTOFOAXSA-N 431.566 2.039 30 10 IEEE CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1287050582 MXLNQPYJEPXMRZ-UHFFFAOYSA-N 448.531 2.407 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N[C@H](C#N)C3CCCC3)CC2=O)cc1 1288293872 HZMXWVMWYAXQDV-YLJYHZDGSA-N 446.573 2.269 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 1290434514 GVZRZKDXLONTCL-UHFFFAOYSA-N 439.273 2.138 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1292614763 MTMHWRREYCOJIZ-MJGOQNOKSA-N 438.532 2.063 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(C)C 1292959108 TXGZKQBTMNKINW-IBGZPJMESA-N 432.569 2.498 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300488263 CJPMYUSUWZQULG-HIFRSBDPSA-N 440.928 2.399 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)c2ncc(C)s2)CC1 1300683750 SHPAPNURUYXTEY-AEFFLSMTSA-N 432.594 2.326 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1300972725 OUPXLONWLOLRPU-ZWKOTPCHSA-N 432.569 2.037 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301152468 ZAFRLGPLGDCYSY-CSODHUTKSA-N 438.594 2.167 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1301473526 DOVGIWSNZCCBAT-INIZCTEOSA-N 434.541 2.007 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301921230 SORURVWSZNGYIP-HNNXBMFYSA-N 449.481 2.416 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1302912880 ARXJQSBGQYHTFK-SFHVURJKSA-N 442.564 2.311 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1303871614 PVOIIMZTUBOJFR-SFHVURJKSA-N 426.904 2.323 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCc1nnc(C)s1 1306242628 DDYVQQFKIFLNEO-QGZVFWFLSA-N 436.545 2.324 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)cc1 1312624324 CAFYTNURSSAHGW-YADHBBJMSA-N 434.496 2.451 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1312625837 KKURAKVCTVXDEA-QFIPXVFZSA-N 435.528 2.446 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)CC1=O 1316114234 CXRASKMSYIAUNH-HXUWFJFHSA-N 447.543 2.442 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1358886533 GGILZYZNQQZAPS-OAHLLOKOSA-N 426.521 2.255 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358955162 FYRWJDKSYCAJDG-SFHVURJKSA-N 446.573 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1358990625 VEBAEDMOOHGMOP-LNVKXUELSA-N 428.496 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccncc2Cl)CC1 1359046492 UAFCOPMLCSWBMD-UHFFFAOYSA-N 449.946 2.326 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1359133787 ZHLMSAMTNBCUJM-APWZRJJASA-N 428.489 2.383 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1359269189 RXJLHTJASCPDME-INIZCTEOSA-N 430.530 2.329 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359294902 IRDUOSPDPUIKDZ-INIZCTEOSA-N 441.492 2.233 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1359299312 BNPAZQLDSWSZNB-APWZRJJASA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359303457 PGUVSPBJBLNJNG-IBGZPJMESA-N 438.580 2.208 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1359307917 YDTRSIUNQUQJHW-OALUTQOASA-N 425.533 2.487 30 10 IEEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359718136 TVAJSGDEFKVWEE-YLJYHZDGSA-N 439.539 2.061 30 10 IEEE N#CC1(C(=O)NC[C@H](O)COc2ccc(I)cc2)CCSCC1 1445803946 RYZHAZYBCQEPTP-ZDUSSCGKSA-N 446.310 2.184 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1451320911 BICQCIJQUYEPKK-PLACYPQZSA-N 432.586 2.400 30 10 IEEE C[C@](O)(C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(F)c(Br)c1 1463852863 XNHIERQLRVZDJD-LJQANCHMSA-N 433.281 2.411 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)C2)C1 1464621506 CZPZVIZMPIBZIH-NIWAKHBSSA-N 430.549 2.290 30 10 IEEE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1471390008 LFQKBGJAYGBNEN-DNVCBOLYSA-N 425.514 2.133 30 10 IEEE COC(=O)C[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1479523073 YGZAFWXCPLJVFL-CABCVRRESA-N 427.461 2.370 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCCCCS(C)(=O)=O)n1 1492745690 VNAFXPWNRZHULM-UHFFFAOYSA-N 447.609 2.485 30 10 IEEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCC(F)F 1503666871 IWMTZRNWPQJBPF-UHFFFAOYSA-N 429.431 2.100 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1507548642 VQTRCKJJUHNNKC-JRBPQWBISA-N 431.581 2.150 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1507572818 YAKXEFOLEUNUAA-KDURUIRLSA-N 430.597 2.155 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507594790 JXAZZBJSERPCHM-IBGZPJMESA-N 431.562 2.097 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CC(OCC)C1 1507643514 OBVNPTZHMZSZPM-UHFFFAOYSA-N 432.322 2.039 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1507661444 WAKPMZGETNTUNN-RUZDIDTESA-N 449.555 2.191 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCO[C@H]1C 1507714829 XTGPXTIKNOMWDH-WMZHIEFXSA-N 428.533 2.100 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507964470 AFGLQROUMILWRQ-GOSISDBHSA-N 427.553 2.111 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1507999002 KKEIAOBJLVYKGH-PMACEKPBSA-N 441.557 2.281 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCN1CCN(C(C)=O)CC1 1508004568 MXHCXQMELWWTFG-UHFFFAOYSA-N 446.559 2.092 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 1508104721 NIWADMZTIWFLFL-OALUTQOASA-N 446.573 2.409 30 10 IEEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1508731345 BJFWXYJRGSJYGD-INIZCTEOSA-N 434.541 2.097 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1c[nH]c2ccc(F)cc12 1510151206 NNQYOLQYXZWCIB-ZIAGYGMSSA-N 447.540 2.490 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1516667825 UTXJLWOJKMDOEI-JPYJTQIMSA-N 438.532 2.070 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1517039224 UKOFKYFONQLKQY-ROUUACIJSA-N 429.546 2.255 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cc1 1518201710 AWWAVDOQYHTDJJ-FGZHOGPDSA-N 429.496 2.319 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1535637194 RLYJZLBYLNJWRL-UHFFFAOYSA-N 436.486 2.157 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(CC)CC 1538982822 JQAUDTWNWVCGGD-QZTJIDSGSA-N 446.621 2.384 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1539120414 VEFVTGAXAMZLMH-QGZVFWFLSA-N 444.580 2.473 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCO[C@H](C)C1 1539178625 JDSBFAQGEJMWII-NQIIRXRSSA-N 425.533 2.361 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539218917 AJSKUYAVOMNHTE-QZTJIDSGSA-N 434.587 2.103 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](Cc1ccccc1)OC 1539232907 ULVBBFDKZMHJHY-HXUWFJFHSA-N 428.496 2.256 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1539444858 WMQAIIHGPOWPOX-UHFFFAOYSA-N 446.559 2.181 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1539453177 FZLTUMSEKUWBHY-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCc2ccco2)CC1 1539899979 DKOOAFKHAZTKFJ-PXNSSMCTSA-N 429.521 2.314 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2)C1CC1 1540095376 PAUPWPXAXATJPP-OAHLLOKOSA-N 431.562 2.164 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540866231 HMEZTJCYRXYMQC-OAHLLOKOSA-N 426.912 2.023 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(NC(C)=O)nc2)C1 1540893610 HDDKKPGCLPJPPH-FQEVSTJZSA-N 433.516 2.447 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1541115611 BTUZQLKEYQTYRG-IAGOWNOFSA-N 441.561 2.216 30 10 IEEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1541875890 HSOOMBDHTAPIER-SFHVURJKSA-N 442.589 2.174 30 10 IEEE N#Cc1cccnc1NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1542362136 LRNMVVRUTUWOCR-ZDUSSCGKSA-N 439.950 2.050 30 10 IEEE Cc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCCNC(=O)C(C)C 1543309511 VSHHOMORZQEPKH-UHFFFAOYSA-N 446.559 2.495 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1545091434 GXEOKRBXCGGPPU-IAGOWNOFSA-N 439.564 2.436 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C 1547709846 AQIDYMUZUHCPIT-MJGOQNOKSA-N 442.589 2.172 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1556782283 BRITUUANKJLFKS-LJQANCHMSA-N 443.935 2.167 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 1559534739 VKYMHZFPGJVYFX-NRFANRHFSA-N 440.931 2.321 30 10 IEEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2)cc1 1565227607 IFFLRFCFNHYDJW-VXKWHMMOSA-N 435.528 2.325 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1588848423 FFNIFYORFFRLLQ-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1593872491 HZOPTNVIQMEMEC-RYUDHWBXSA-N 429.930 2.016 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1594732931 JOSYDPJBBPPRLW-HOTGVXAUSA-N 436.557 2.253 30 10 IEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCOCC2(CC2)C1 1594824752 PRBKWBRUUZNWJJ-UHFFFAOYSA-N 431.562 2.479 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(=O)OC)C1 1595477469 VMSOLMKEAVEUGI-MSOLQXFVSA-N 441.532 2.336 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)C1 1595706290 JVELEPKWEQDKLK-QGZVFWFLSA-N 434.500 2.277 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1596078531 NBKZORKNLPBUIO-INIZCTEOSA-N 443.978 2.221 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 1596443342 IMOZOIHJTFNRTO-UHFFFAOYSA-N 443.485 2.030 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1596703516 SJMYWQNHPQEBAA-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3cccc(C(=O)OCC)c3[nH]2)s1 1606621312 MLWBEFBFDVAARU-UHFFFAOYSA-N 448.526 2.447 30 10 IEEE CCc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1S(C)(=O)=O 1611648966 PEIFDUFVYSXVON-UHFFFAOYSA-N 430.482 2.170 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC(C)(C)C1 1618349891 BKUPDJKLMUZNSC-UHFFFAOYSA-N 444.605 2.420 30 10 IEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCCCN2CCC[C@@H]2CO)cn1 1618384959 WYHGCZDVKZCGAG-HXUWFJFHSA-N 426.569 2.046 30 10 IEEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1=O 1618456148 LDZQQVNDYSVXGA-DNVCBOLYSA-N 434.422 2.063 30 10 IEEE CCc1ccc(C(=O)NCc2ccc(C)c(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1625741402 XZOKJBZYQCSUJJ-UHFFFAOYSA-N 427.526 2.380 30 10 IEEE C=CCn1c(SCC(=O)N[C@H](CO)Cc2cnn(C)c2)nnc1-c1ccc(Cl)cc1 1630356795 PYHFYOWKIRMSTG-KRWDZBQOSA-N 446.964 2.330 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)Cn3cnc4ccc(Br)cc4c3=O)C2)c1 1630762511 VDBAZBZRRMFIQS-UHFFFAOYSA-N 438.285 2.354 30 10 IEEE COc1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1631331568 ZFHKIQDAOQRURK-LJQANCHMSA-N 442.541 2.168 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)ccc1F 1631632508 MYHYTMRIWAYCCG-UHFFFAOYSA-N 434.493 2.072 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)C1 1631964050 GYQSEQIIINEFSJ-OAQYLSRUSA-N 446.479 2.498 30 10 IEEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636303958 DKWAQJQBIFBVMJ-WMZOPIPTSA-N 435.565 2.077 30 10 IEEE N#CCc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1639963020 HULQJROBKDZOJR-UHFFFAOYSA-N 443.525 2.289 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1643153943 CASXGDOKVLVLLP-SJORKVTESA-N 434.537 2.148 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C(=O)OC(C)(C)C 1643583411 RNYQGDPQNKCXSK-CRAIPNDOSA-N 435.546 2.318 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)ccc1F 1643682858 XQELRRKLJXSPIY-UHFFFAOYSA-N 438.481 2.081 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)c1 1647795204 ASWMXFQGGDNBGK-UHFFFAOYSA-N 431.489 2.335 30 10 IEEE N#Cc1ccsc1N1CC[C@H](N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)C1=O 1660647254 PMJLGRXGEDUWKI-WWGRRREGSA-N 433.477 2.167 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OCC 1663905639 QOMPYYYGRUSROL-GOSISDBHSA-N 444.575 2.037 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1683794860 DFLQQOKIYVSSLM-UHFFFAOYSA-N 428.537 2.480 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689983475 CDSAHUPDLVJGDI-QUCCMNQESA-N 442.541 2.273 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ncn(C)n1 1690004844 ICXQCASLUCDGIS-UHFFFAOYSA-N 428.269 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690023922 MOKJCEIMPPEDAZ-RDGATRHJSA-N 434.540 2.483 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690347528 ICVDOVIRAKKPQW-MRXNPFEDSA-N 432.887 2.233 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCNS(C)(=O)=O)CC1 1690415757 XMINOYODVACRLS-UHFFFAOYSA-N 433.578 2.371 30 10 IEEE C[C@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCCCCO)CCO2 1693876364 BSZYFRDNFSILCS-JPYJTQIMSA-N 441.532 2.276 30 10 IEEE COCCN(C)CCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698025083 FWXORXDLGNEVGX-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705491380 BYRAODVJNFTVCV-CTNGQTDRSA-N 437.592 2.215 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1 1705519932 BTHFMPRZOBNRAL-UHFFFAOYSA-N 427.578 2.377 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(c2ccncc2)CC1 1705548898 YFVJTCHKTANACZ-UHFFFAOYSA-N 440.555 2.493 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(S(C)(=O)=O)CC1 1705579443 WMIAQJGTLYZWOS-UHFFFAOYSA-N 447.358 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccco1)N(C)C 1705589195 MGIACIWOCQHTMJ-SFHVURJKSA-N 431.500 2.284 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705621647 JTUOLPFLRUIFTF-QRVBRYPASA-N 437.610 2.082 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnc(C)s1 1705626992 QFXQCZPGVROQDI-UHFFFAOYSA-N 449.540 2.091 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC[C@@H]2C)CC1 1705636190 AUFWLYWDYHWVHQ-RBUKOAKNSA-N 439.560 2.390 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705658406 OXUPWRLKHIHMIM-UHFFFAOYSA-N 447.568 2.372 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705659258 PXAWEYANRQTLCT-PXNSSMCTSA-N 426.590 2.172 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705876262 SSHQTRQWZRSXMB-FQEVSTJZSA-N 436.965 2.250 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1705876496 ZIYYWXQDOIFKFH-CVEARBPZSA-N 445.536 2.225 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(F)ccc(F)c2C1 1705908615 FOAGMIZBRRAUOB-XOBRGWDASA-N 447.486 2.145 30 10 IEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1705949037 MMXQYORQSZHDOV-UHFFFAOYSA-N 426.539 2.150 30 10 IEEE CC[C@@H](C)c1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1708419644 RIJKBEPXUSSHQY-CVEARBPZSA-N 435.550 2.335 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1710799654 PQUKBLSWBGDFAX-UHFFFAOYSA-N 442.520 2.434 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(F)cccc2OC(F)F)cn1 1711251419 IDCAMIJGSQVGTD-ZDUSSCGKSA-N 433.394 2.196 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)COC)CCO1 1711360287 FMYKVVHUWUUKMU-LJQANCHMSA-N 440.548 2.221 30 10 IEEE COCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1712612306 DCTQDJMGPJMXLR-UHFFFAOYSA-N 430.509 2.189 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1722343240 FRYINJDXGDKXQA-QFIPXVFZSA-N 446.573 2.003 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCO[C@@H]1C 1722378350 ARVBXYUXQIJZSS-ACJLOTCBSA-N 435.347 2.382 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1722537534 CCLFCDYQLOJESM-RCCFBDPRSA-N 432.569 2.003 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722629389 PZRKRBSUURUFFM-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cccc(Cl)c2n1C 1722679691 JIONJJRUMJSDPJ-INIZCTEOSA-N 443.939 2.456 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722690554 KVXZYJFCSVNESN-QGZVFWFLSA-N 427.553 2.214 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1727377348 HOOVBKXBTPKRCL-FQEVSTJZSA-N 435.525 2.011 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccco1)N(C)C 1740542634 XXUZQYLVOQNGBT-VQIMIIECSA-N 431.504 2.275 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740621631 XWYVWWHDXLTJDK-RBUKOAKNSA-N 441.582 2.339 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(C)cn2)CC1 1740699624 NKVJPIIAAVXTGS-UHFFFAOYSA-N 433.560 2.434 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740701591 MNTHEMHWWVSGDG-CJAUYULYSA-N 446.555 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)OC)CC1 1740708148 DOROGXKIKOTOMX-GOSISDBHSA-N 439.560 2.073 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740875737 JATKSXIVDYVNCM-SFHVURJKSA-N 448.593 2.073 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1740887140 CZNODPXHLMPOKM-RXVVDRJESA-N 441.532 2.488 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)C1 1740973204 SLJISEKGSUQADJ-LSDHHAIUSA-N 425.580 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCOCC2)C1 1740983099 BAAXCXYFTUZKLC-HXUWFJFHSA-N 443.596 2.032 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ncccc1N(C)C 1741371570 FAVNZYMAUCEUPI-KRWDZBQOSA-N 446.563 2.288 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1741813697 VHLLHOPZQNAOPE-YJBOKZPZSA-N 426.521 2.244 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1741971111 JAGOVEKGWQDJCX-LXZKKBNFSA-N 430.896 2.079 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1747707817 VCIZDTYCTSDSPE-MOPGFXCFSA-N 429.546 2.115 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1748104550 JRRBAFWJXPBCBC-FUHWJXTLSA-N 432.532 2.094 30 10 IEEE COC1(C)CN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748484589 NSCLTLIPESMTNX-ZPHPHTNESA-N 442.907 2.350 30 10 IEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1748757487 DKAHCKQZZJLXLZ-JOCHJYFZSA-N 428.558 2.328 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748814230 BJRGCFAYCQFRJF-HXUWFJFHSA-N 441.557 2.179 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1748825476 ZPPBSASYZXDUJU-NVXWUHKLSA-N 449.602 2.385 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1OCCC1(C)C 1748846416 GLRJKUKDCQGEJG-HXUWFJFHSA-N 433.560 2.340 30 10 IEEE COc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1748941693 DPNPXDRKLIRNBL-IIBYNOLFSA-N 446.577 2.270 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749018682 DHSGXHVBRMLSAN-BGYRXZFFSA-N 444.624 2.148 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1749022740 LOPYPJCLVMBXLC-IAGOWNOFSA-N 439.593 2.311 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1749068004 ZRVBAPXWWSJPBE-OXQOHEQNSA-N 449.602 2.123 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@@H]1C 1749228754 CPNFZTPSFIBXQF-SFHVURJKSA-N 427.553 2.270 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749427271 NYAROOVTUFGVPT-LJQANCHMSA-N 449.621 2.375 30 10 IEEE COCCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749585293 IKQMUAPHOBYUAT-UHFFFAOYSA-N 441.536 2.014 30 10 IEEE CC(C)(C)c1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750453212 YGZYYOIUZVMQQG-ZCXUNETKSA-N 428.537 2.251 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1751096976 BCTGAQCETBMPBV-GFCCVEGCSA-N 428.390 2.413 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760114626 PZZRHSQPSMNQIC-ZIAGYGMSSA-N 430.509 2.377 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1760121643 XIHXGNKAUHGLSU-MAUKXSAKSA-N 430.503 2.440 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCN(CC)CC1 1760170282 WUTBZURFCFMHIX-HXUWFJFHSA-N 432.576 2.226 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1csc(COC)n1 1760212556 XLPJHXLHWXTTIA-NRFANRHFSA-N 429.546 2.044 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC=C 1760232660 BWNPGJDFLZNWJL-UHFFFAOYSA-N 430.553 2.154 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(F)cc2C)CC1 1760257412 VZBSEDNUONEJGF-DEOSSOPVSA-N 441.551 2.376 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCc2cccc(C(N)=O)c2)CC1 1760266478 ZVEVHCBPDQSBCV-QGZVFWFLSA-N 436.560 2.099 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760283804 BDHJJKSEULGMBX-LJQANCHMSA-N 440.617 2.320 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1760450531 MUJOSRGGTAOYMB-MOPGFXCFSA-N 438.594 2.168 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1760495682 ULGVJTGPOUUAFJ-OAHLLOKOSA-N 430.559 2.412 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 1760531332 LTNLLEAAUQHVLH-FQEVSTJZSA-N 425.533 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760555460 GEXBYPNHLHSFBG-UHFFFAOYSA-N 448.593 2.073 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760566174 NOLXUYZLQGOMFC-IRXDYDNUSA-N 440.635 2.231 30 10 IEEE CC(C)N(C)CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1761171879 HHUYRIXSVVFVGH-KRWDZBQOSA-N 425.585 2.293 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1761541990 ANOYILPDUPRPPZ-JOCHJYFZSA-N 441.536 2.441 30 10 IEEE CCc1nc(CCn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)no1 1762755882 CIENZVVTQPBTLU-UHFFFAOYSA-N 435.536 2.258 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C)n(C)c1=O 1763657598 WNDVSHJTWXLKMZ-AWEZNQCLSA-N 433.516 2.382 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)C1 1764508127 CHKCWDPNWUKUKC-UXHICEINSA-N 440.548 2.221 30 10 IEEE CCCNC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1764549925 HRZWBCQJLNTNPD-UTKZUKDTSA-N 428.468 2.149 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)s1 1764685521 DNHKGECLMISOBL-UHFFFAOYSA-N 445.574 2.150 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCC(F)F 1767496331 OWDZGQGPNMJJGO-UHFFFAOYSA-N 442.474 2.159 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C#N 1768285261 DLASZEPLKGYFAS-OAHLLOKOSA-N 429.550 2.352 30 10 IEEE CS[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771396801 DVPBKXHTOMEDPB-HLLBOEOZSA-N 428.566 2.258 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1771543680 DDNQOMZPABEOKD-SFHVURJKSA-N 427.553 2.152 30 10 IEEE C=CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCN(C)C1=O 1848750634 NRNSHHSJEOROGO-ZIAGYGMSSA-N 445.994 2.190 30 10 IEEE Cc1c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nnn1Cc1cccc(F)c1 1852982002 JGYAAZQZDXYRSV-UHFFFAOYSA-N 449.490 2.020 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c1C#N 1853332907 XONDMGPYDQNUMS-UHFFFAOYSA-N 427.530 2.254 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc3nc(CC)sc3c2)C1=O 1854179236 OBFUNZPWMWVXJA-IAGOWNOFSA-N 426.542 2.319 30 10 IEEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 1855491972 OMUKYPBWGAPQMD-GJZGRUSLSA-N 428.480 2.242 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858337223 YBYBMBJCWNNEKZ-SFHVURJKSA-N 433.555 2.225 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccccc1C(=O)O 1864661481 YAVVGBFIASJGOV-SFHVURJKSA-N 431.452 2.271 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 1866736573 RUORYVRNBSFZSD-PMACEKPBSA-N 435.480 2.329 30 10 IEEE COc1cc(-n2nnc(C#N)c2NC(=O)c2c(OC)cccc2OC)cc(OC)c1OC 1870139340 LJAZPCCUGGMAJV-UHFFFAOYSA-N 439.428 2.434 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN(CCOC)CCOC 1870731699 YXYNHMKBMZLHMU-UHFFFAOYSA-N 443.544 2.455 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)CC1 1890173673 DOTSXJCBZNPFCV-JOCHJYFZSA-N 427.589 2.491 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1890807751 FITNNIJAAKTXSH-IBGZPJMESA-N 446.500 2.186 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@@](C)(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1904674108 IXBCQOKDNKCUDZ-LJQANCHMSA-N 430.376 2.493 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H](CCS)C(=O)O)CCN(Cc2ccccc2)C1 1984835834 NAJKUFCXTCEKQQ-KKSFZXQISA-N 437.562 2.045 30 10 IEEE CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539131 QSLNHZVYZRDORZ-MSOLQXFVSA-N 446.353 2.319 30 10 IEEE N#Cc1cc(N)ccc1S(=O)(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2162915574 LMSCALUVZCGONE-KRWDZBQOSA-N 428.514 2.468 30 10 IEEE COC[C@@H](C)N=C(NN)Nc1ccc(Br)cc1I 2223669321 IMLGONYWFQEZCQ-SSDOTTSWSA-N 427.084 2.320 30 10 IEEE Cc1cnc(NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224098677 YHGYSSKPMXBQQZ-QFIPXVFZSA-N 433.358 2.473 30 10 IEEE C[C@@H](CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243393858 ZLTSILZITWDNEE-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243417960 UMGDXPAFQLSLDC-ZFWWWQNUSA-N 430.376 2.349 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)NCCNOCc3ccccc3)s2)OC1(C)C 2243439306 QWCZJAMNQIYDNH-UHFFFAOYSA-N 438.380 2.047 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2248419809 IBCXRPHBJWSEEM-UHFFFAOYSA-N 437.371 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255384661 YFMHCYUWBHEORX-UHFFFAOYSA-N 431.342 2.207 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C 2255615348 QMEZXEPURRXWGV-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2255682721 LDSQRFXPBOPVQR-GASCZTMLSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2256626760 NTLBUQWFEHWUSZ-UHFFFAOYSA-N 432.301 2.269 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267092521 WRTSBPFDZPXMSU-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267104448 XENNZNNUUZGBGM-ZWKOTPCHSA-N 446.353 2.398 30 10 IEEE CC[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267128825 ZZKCPSKIMSZTEE-LJQANCHMSA-N 438.381 2.456 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129363 ADELTURATWZIKF-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cc1c(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267147210 SSHOYAPEFVVVBU-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267147583 VXQBGTWWXFWENU-CABCVRRESA-N 448.373 2.474 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2267182793 JHPQZKQRWAXRGA-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267183126 LFPLEAJSMUBLPS-INIZCTEOSA-N 448.373 2.095 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267266861 FXEZSTURKGMBQW-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)n1 2267506389 XGYRORJAWMBUOC-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)o2)OC1(C)C 2267557351 NEAPDVITVYMYPH-UYAOXDASSA-N 438.333 2.304 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2267600833 MSRZWEGHZBGIGC-NPMXOYFQSA-N 445.369 2.454 30 10 IEEE CC(C)[C@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267873135 NQWLFQPOSQRSTE-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE Nn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]c1=NN=CC=Cc1ccccc1 2313701553 CSZCPWUXSFZMDF-UHFFFAOYSA-N 438.473 2.164 30 10 IEEE Cn1c(NN=CC=Cc2ccc([N+](=O)[O-])o2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 2328610298 DGAQSILCSHIZHW-UHFFFAOYSA-N 449.427 2.094 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1O 2331310966 ZVUZSZZULXYJQK-UHFFFAOYSA-N 425.514 2.463 30 10 IEEE Cc1cc(CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649584 JUNVCGQBWYDSAV-KRWDZBQOSA-N 448.369 2.044 30 10 IEEE Cc1ccc(CCNC(=O)Cc2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 9860533 XELXKGWYBRYUJB-UXHICEINSA-N 443.594 2.386 30 10 IEEE COc1cc(/C=N/Nc2nnc(SCc3ccc(F)cc3)n2N)cc([N+](=O)[O-])c1O 21326869 GCSMMUUNYJXDJI-DNTJNYDQSA-N 433.425 2.492 30 10 IEEE CCOc1ccc([C@H]2C3=C(NN/C3=C3/C=C(Cl)C(C)=CC3=O)C(=O)N2CCO)cc1 136580829 DICLWMSIWDVXPV-SACXWWFQSA-N 427.888 2.229 30 10 IEEE Cc1cc2c(c(=O)n(-c3ccc(F)cc3)c(=O)n2CC(=O)Nc2cccc(C#N)c2)n1C 169762677 QELLPHIQPLILJA-UHFFFAOYSA-N 431.427 2.449 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1C#N 427787963 IEKKBAKYCZDLBO-LJQANCHMSA-N 427.530 2.229 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n(C)n1 445247174 HWLHZQCQEJIHAH-UYAOXDASSA-N 435.532 2.064 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1-c1ccccc1C 461332425 OCEAUPHCLISIIP-UHFFFAOYSA-N 449.507 2.160 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@H](CO)c3ccccc3)ccc21 471044996 WFACNUDETQCZOW-LJQANCHMSA-N 434.496 2.100 30 10 IEEE Cn1cc(C#N)cc1C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 471663656 JPMQOEJHSWQXSR-UHFFFAOYSA-N 426.473 2.444 30 10 IEEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 473296004 MMRCGDUWYXLSRZ-MRXNPFEDSA-N 439.447 2.348 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4cccc(C#N)c4C)CC3)C2=O)n(C)n1 506700938 XOHIFLAQCNTYGD-FQEVSTJZSA-N 435.532 2.254 30 10 IEEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508904553 URZPZWUKMKGGHE-UHFFFAOYSA-N 446.533 2.457 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCCCN3C(=O)c4ccccc4C3=O)cc2C1=O 521916563 GZOFJCKXZSBUNQ-UHFFFAOYSA-N 431.448 2.275 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1-c1ccc(F)cc1 523406406 WIZFFFVVVBBHEM-UHFFFAOYSA-N 449.507 2.001 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3sccc3C#N)cc2)CC1 524407590 XKORLWWGPDCISK-UHFFFAOYSA-N 426.542 2.135 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N(C[C@@H](C)C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 532819276 IAKKUSIUCVYHGX-HNNXBMFYSA-N 441.557 2.307 30 10 IEEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@H](Oc1ccccc1C#N)C(C)C)C2 552713804 RROBDEFBOASNDU-OAQYLSRUSA-N 427.526 2.455 30 10 IEEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)NCCc1ccccc1Cl 585673658 NMSJRVVKONXXEF-OLQQUCHKSA-N 426.860 2.072 30 10 IEEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 587404595 DFURLVDOJATCED-CXAGYDPISA-N 445.463 2.137 30 10 IEEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 609744491 KBHDJLAHAKHWAJ-KRWDZBQOSA-N 432.477 2.432 30 10 IEEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCc3ccc(C#N)cc3F)ccc21 611165832 UEDDJTDZVCNYIG-UHFFFAOYSA-N 438.463 2.284 30 10 IEEE C=CCO[C@@H]1[C@@H](O)[C@H](CO)O[C@@H](Oc2ccc(OC)cc2)[C@@H]1OC(=O)c1ccc(C)cc1 616591424 YOVYVYDNSFUASP-XIFQGDJWSA-N 444.480 2.257 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 642715011 VOBQLZKOHPETJR-MRXNPFEDSA-N 437.591 2.201 30 10 IEEE CC(=O)N[C@H]1Cc2ccccc2N(CC#CCN2C[C@@H](NC(C)=O)Cc3ccccc32)C1 671242319 BOVFJJGLBHKUNO-ZEQRLZLVSA-N 430.552 2.125 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n1 726877323 GYPCZPKXULBRRJ-DIFFPNOSSA-N 436.588 2.193 30 10 IEEE C#CCN(C(=O)CCC(=O)c1cc(Br)ccc1OC)[C@H]1CCS(=O)(=O)C1 729331564 QLBKMXVIWAFJME-AWEZNQCLSA-N 442.331 2.070 30 10 IEEE N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCN1C1CC1 732696901 RUMLASZIVUZAEI-LJQANCHMSA-N 431.562 2.455 30 10 IEEE CN=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1ccc(O)c(O)c1O 747576984 ZBOXVLIOQKDLQJ-SNVBAGLBSA-N 426.454 2.466 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 748408749 ZWUQQJVIHNDPKY-MRXNPFEDSA-N 432.523 2.301 30 10 IEEE CCCn1c(COC(=O)c2cc(C#N)cn2C)nc2cc(S(=O)(=O)N(C)C)ccc21 751726910 GRQXUNGLYHLTGS-UHFFFAOYSA-N 429.502 2.264 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(C)OCCO2)c1 758863744 DNRCIEWDPKQJJV-SFHVURJKSA-N 448.589 2.148 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1 762999022 CUZYGAHSYCDSBH-HXUWFJFHSA-N 431.489 2.356 30 10 IEEE N#Cc1cccc(CNC(=O)COC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)c1 768050245 NZZKARYAQXWOQY-UHFFFAOYSA-N 446.332 2.177 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1ccnc(O)c1Br 773656728 LDEXBUDCHNLMRM-UHFFFAOYSA-N 442.229 2.403 30 10 IEEE C#CCN(C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774036292 MJNCRONQMFGCTR-GOSISDBHSA-N 446.550 2.315 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cc1C#N 774337705 PODMSHQFXBJKQS-LJAQVGFWSA-N 425.388 2.449 30 10 IEEE Cn1c([C@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)nc2ccccc21 777284938 AGVJQUQOXKQQGR-PBHICJAKSA-N 425.489 2.265 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 778761363 QPHSZVGKNGATQY-KSSFIOAISA-N 445.472 2.103 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 780174381 CBMJFFVAKFTXGW-QFIPXVFZSA-N 431.489 2.267 30 10 IEEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 798364843 OTEYTBLYCPWRCI-HKUYNNGSSA-N 448.564 2.492 30 10 IEEE COc1ncc(CON=C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(C)n1 799174107 ALJWIOMGQAPHMT-UHFFFAOYSA-N 447.517 2.109 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cnccn2)CC1 800781773 AESLSBKYXLBCOF-UHFFFAOYSA-N 434.504 2.007 30 10 IEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802585036 RNNAJFWXNPXOSW-HRAATJIYSA-N 427.461 2.445 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1)c1ccc(Cl)cc1 810469853 GNJNTUQUWLVTAD-SFHVURJKSA-N 433.917 2.458 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)c1ccc(Cl)cc1 810470359 FJRJAHPDDHYYLX-MRXNPFEDSA-N 449.916 2.028 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1 1083898741 KXGSTKQPWHZASU-UHFFFAOYSA-N 443.464 2.094 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)c(C)c1 1084162914 KPHQCGZRWRSBMD-UHFFFAOYSA-N 426.506 2.271 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 1125700407 DHSOYWWZGDUBOD-HZPDHXFCSA-N 431.418 2.070 30 10 IEEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@]23COCCN2C(=O)COC3)c1 1132364843 QTNRWPSNVNZBBM-JOCHJYFZSA-N 441.871 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCNC(=O)c1cccnc1 1136234655 QRCBYMWDKBPPEP-FQEVSTJZSA-N 449.511 2.334 30 10 IEEE N#Cc1cn(CCNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)c(=O)nc1O 1148392897 MYKCZNPHNGAWGT-UHFFFAOYSA-N 449.158 2.171 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 1151224114 ALAIKXAFTHJJNA-UHFFFAOYSA-N 429.387 2.362 30 10 IEEE N#CC1(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CCSCC1 1168364795 LFRMAOOOTKMQPI-UHFFFAOYSA-N 441.601 2.105 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](CC(F)(F)F)C2)CC1 1174770819 HYBQZTHGPUYZAQ-ZWKOTPCHSA-N 428.430 2.188 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1175917761 QCDOIDLZPRALDH-STQMWFEESA-N 429.468 2.455 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)[C@H](C#N)C1 1225936118 DBHBZRIPERBUOG-MLGOLLRUSA-N 445.451 2.367 30 10 IEEE C#CCN(C(=O)NCc1nc(C2CCOCC2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1234274674 RRNAKTJETCLNBC-UHFFFAOYSA-N 446.552 2.243 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC(NS(=O)(=O)c3cccs3)CC1)C2 1235529641 KGGMAGNVNZIPSW-GOSISDBHSA-N 430.555 2.239 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)Cc1cccc(F)c1 1286302789 OGSNZODSRGEUCT-KRWDZBQOSA-N 437.523 2.096 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286390467 BBMWBXHDFBZJGM-NFBKMPQASA-N 444.601 2.097 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1286503893 GHEZKMRUDDOMDI-RBUKOAKNSA-N 427.574 2.464 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286790589 GUJJZOQCAYCNAA-UHFFFAOYSA-N 444.502 2.064 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(C)C)C1 1286824773 IMIMOBVYIQITMO-BZSNNMDCSA-N 426.583 2.085 30 10 IEEE N#Cc1cn(CCC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c(=O)nc1O 1291626749 SYMZNOLVFKZUHR-UHFFFAOYSA-N 428.342 2.266 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cc(OC)ccc1OC 1293100119 HJFOKFONPUGASQ-UHFFFAOYSA-N 433.516 2.499 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1295140852 IXIHGFOEGQDLCX-UHFFFAOYSA-N 429.376 2.070 30 10 IEEE Cn1cc(-c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCC(C)(C)O)cn1 1298816194 CQONZPRRGGFXHH-UHFFFAOYSA-N 434.548 2.428 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1300358443 UURQMXPPNVHHGU-FQEVSTJZSA-N 429.525 2.484 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300487475 JVRCJGIXQXIKID-ZWKOTPCHSA-N 447.580 2.441 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300488371 RHRGYYGVRFTXNJ-DENIHFKCSA-N 445.589 2.154 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300506387 RVSZGSKRKJAYJX-AZUAARDMSA-N 444.557 2.122 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC)N1CCc2ccccc2C1 1300532088 MPUCWBIUUWDIER-FCHUYYIVSA-N 430.556 2.139 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1300697803 KBLGVYMUHLCRTC-FPOVZHCZSA-N 449.603 2.114 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](OC)C(F)(F)F)CC1 1300703947 WQMATJWKXBEXBF-MRXNPFEDSA-N 442.511 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1300725869 LAOMGDSAUBXRHZ-SFTDATJTSA-N 444.624 2.114 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300893003 XLCMTGVNRJVIOR-REWPJTCUSA-N 444.624 2.202 30 10 IEEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300980021 JZJMDPNDQUIBLO-LJQANCHMSA-N 425.489 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301483678 UCBRESWLKZMCNR-IAGOWNOFSA-N 441.532 2.127 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@H]1CCCS(=O)(=O)C1 1301809177 MMJNHROKSCJSDF-QGZVFWFLSA-N 437.591 2.122 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1 1302468025 BSBPQUKNDBCMHP-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1303638592 AMQBIAIBRAUUCO-SJLPKXTDSA-N 436.582 2.240 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1313553993 LLJQBCJIHUHGIL-WOJBJXKFSA-N 438.532 2.100 30 10 IEEE Cn1cc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)cn1 1314897922 BCVDICGZMQJWAC-IBGZPJMESA-N 439.545 2.326 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)C[C@H]1OC 1316333445 CALUMCKWTBJHCM-BVPXEZJJSA-N 441.532 2.394 30 10 IEEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1316540851 OLYXFQOQGWQTGM-CABCVRRESA-N 432.937 2.231 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 1325227030 CDQHJWURSZWETK-INIZCTEOSA-N 427.592 2.452 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358966539 RHIURNZBFXSVRK-LJQANCHMSA-N 439.541 2.035 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359009433 PROOMNHBLOCCTR-XWSJACJDSA-N 445.564 2.266 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCc2cc(OC)ccc21 1359023646 QMXVHZUSTHEETF-NQIIRXRSSA-N 437.544 2.444 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)cc2OC)CC1 1359033694 MMAUBTCJIHULCZ-UHFFFAOYSA-N 434.544 2.299 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCS(C)(=O)=O)CC1 1359039288 CGBXVKUSJWGQPM-UHFFFAOYSA-N 447.630 2.069 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359154358 MNDVUCPNSIRMNL-UHFFFAOYSA-N 445.911 2.388 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(CC)CC)CC1 1359178739 AKZYGGUJGCYJMV-GOSISDBHSA-N 437.610 2.231 30 10 IEEE C=CCCCn1c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)nnc1C(C)(C)C 1359220479 AKZCBQHKMVXAAX-UHFFFAOYSA-N 427.615 2.419 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nncn1C 1359264625 KFPXJSPCTOAHAR-YJBOKZPZSA-N 429.550 2.433 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1359271399 TVLNASOJMAPNLF-MOPGFXCFSA-N 440.548 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359326700 IEQUURITHWLFEL-MAUKXSAKSA-N 435.598 2.442 30 10 IEEE CC(C)(C)[S@](=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1359588874 AMROSXGQBZGJEY-UAUFLZKXSA-N 445.545 2.067 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1360193031 NELPMRZUUMGFMW-XMMPIXPASA-N 447.543 2.060 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@@H](C)COC 1437608766 XMPZUILTRRPVQW-JKSUJKDBSA-N 425.507 2.045 30 10 IEEE N#Cc1c(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)[nH]c2ccccc12 1440340547 BGKPCAQZTFLWFJ-UHFFFAOYSA-N 430.436 2.464 30 10 IEEE CCCN(CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OC(C)(C)C 1447051757 YSYXJMNFSAGFBZ-UHFFFAOYSA-N 427.498 2.500 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)s1 1453899953 PQDBBEHNSHHGRA-RYUDHWBXSA-N 426.482 2.323 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1CCc2cc(C#N)ccc21 1468915409 KVIPKIIUDJGQOF-YQVWRLOYSA-N 445.541 2.118 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CS(=O)(=O)CC)cc2)s1 1469074435 UKVOIHYEDZNNBP-UHFFFAOYSA-N 442.584 2.328 30 10 IEEE COc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCCC1 1469872130 MCKFJXXJPZGFES-LJQANCHMSA-N 443.525 2.157 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC3(CS(C)(=O)=O)CC3)C2)C1 1470072922 KQPJSHBMHUROKK-ZGOJQLDESA-N 439.578 2.104 30 10 IEEE C#C[C@@H](NC(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1470662221 CPKXHPSPBMKEFO-DLBZAZTESA-N 443.363 2.359 30 10 IEEE COc1ccc(CCC(=O)N2CCCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1471460761 VEDZHQVQEFZAIM-UHFFFAOYSA-N 427.530 2.400 30 10 IEEE CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191382 CUULCHLGZJQUGW-HTAPYJJXSA-N 425.510 2.445 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1473615299 ZMKPPLPIRGSQML-IFXJQAMLSA-N 426.439 2.331 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)c1ccc(Br)cc1 1475334141 GQKSVKKHJDJKCY-MRXNPFEDSA-N 432.303 2.292 30 10 IEEE CN(C)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1503403035 KMDMLVAOGIGZPX-QFIPXVFZSA-N 425.512 2.457 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)n1 1504774951 NUNVCTWEMHGNLD-UHFFFAOYSA-N 448.531 2.287 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1505052516 LXUNMSFNQMELOK-UHFFFAOYSA-N 442.564 2.312 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507563384 VHPJXARQKZULOU-UHFFFAOYSA-N 426.546 2.092 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1507642156 HGMRYEFEUDYCND-GFCCVEGCSA-N 445.492 2.090 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1507691737 MSLRINSKVPDSHO-MSOLQXFVSA-N 431.537 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1507739460 QCLATFGZXBMIRW-RLLQIKCJSA-N 429.565 2.037 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1507764448 MJANNLRKZIBKTN-AUUYWEPGSA-N 436.607 2.196 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1507900575 QDIRONVJLVHLFA-UHFFFAOYSA-N 426.546 2.255 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507974562 YHHJXCUFEZFNSF-HNNXBMFYSA-N 447.469 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)C)CC1 1508078788 IMAIZPWIHCDIMV-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508079501 XOZQTEROQIHQTA-IBGZPJMESA-N 432.532 2.143 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NC(C)C)C1 1508117010 LLVCMKUFYMHJPV-QGZVFWFLSA-N 429.521 2.268 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCCNC(=O)c1cccc(O)c1 1508423569 JUFIRGSELZXOGL-KRWDZBQOSA-N 433.516 2.385 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C(C)C)N1CCOCC1 1508969660 PXDLOTHKABIUDJ-FQEVSTJZSA-N 439.564 2.293 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1509953201 KTQZBKKCIZMVTQ-WBVHZDCISA-N 431.562 2.194 30 10 IEEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1511393102 JGLDUAUOZDPWDH-GOSISDBHSA-N 426.546 2.255 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1516129405 HIYSIMRSSDJCHN-VGOFRKELSA-N 432.569 2.175 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCCS(C)(=O)=O)cc3)cc2C1=O 1528425551 LYEYCOPEJBSRBP-UHFFFAOYSA-N 428.466 2.144 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)s1 1533082325 ATJCOCZFWWDXQU-UHFFFAOYSA-N 433.555 2.147 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OCC 1539265066 CRMPGBJFDJVONO-SFHVURJKSA-N 445.564 2.474 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CSC)c1 1539266841 SSQUGUBPYDGKBE-LJQANCHMSA-N 428.583 2.164 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539743257 ZSUONQUGJHARBL-HXUWFJFHSA-N 427.597 2.471 30 10 IEEE C=CCNC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1540357564 XCLPGZZEFBFVKK-UHFFFAOYSA-N 432.262 2.264 30 10 IEEE Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728394 FWAIMCSUJRIOOX-UHFFFAOYSA-N 428.470 2.230 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1541710344 KDTOIQWEPBIEFJ-BWTSREIZSA-N 428.562 2.379 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)Oc2ccccc2F)n1 1543066308 AMVWMZXEHRBYCK-ROUUACIJSA-N 439.495 2.475 30 10 IEEE CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1545998828 BXXLDMGKLAAOKX-MJGOQNOKSA-N 447.547 2.066 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1547097052 UPRHWDGHYURURI-UFVMTTLYSA-N 429.569 2.096 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1555240516 HEEHWKDSLQYPTE-JTSKRJEESA-N 427.505 2.007 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1564547800 WHFYVLUFAOHYBV-JZXOWHBKSA-N 427.505 2.409 30 10 IEEE CN(CCNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1ccc(F)cc1 1564655252 ANGNEWUNEPBJQX-FQEVSTJZSA-N 446.504 2.101 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc[nH]cc1I 1566402442 MTKHWOPCAHUIER-CYBMUJFWSA-N 429.258 2.353 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1583966208 HJFZZVTWWVFPKP-FPOVZHCZSA-N 435.446 2.259 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1586080249 MKFNJVJQKAHROE-UHFFFAOYSA-N 431.246 2.378 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC1CCOCC1 1587581227 YGVWQTZHWBPWRG-QGZVFWFLSA-N 446.573 2.392 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588040556 OJRRZKSMTXUNKS-RTBURBONSA-N 445.589 2.348 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)CC1 1588806305 MJMYNRMBJPLSTF-UHFFFAOYSA-N 444.362 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(O)(CC)CC)CC1 1588908674 UVPRUYXATNWNBJ-UHFFFAOYSA-N 439.560 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N(CC)CC)CC1 1588930283 RQBJCEIPRNDOLL-ICSRJNTNSA-N 430.597 2.216 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1589060716 XHDBASRBQPSXKK-MRXNPFEDSA-N 433.969 2.287 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1589658379 ZTZFNHCBNLRBCU-OAHLLOKOSA-N 435.525 2.360 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1594783366 AVUNPEJDHFTKMD-UHFFFAOYSA-N 443.552 2.356 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 1594993000 XPRKONANGKTSOM-WJOKGBTCSA-N 442.633 2.176 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1595013742 IQZBOPCRCIEMTF-IAGOWNOFSA-N 427.615 2.491 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)NC 1595114936 BGWKKUAPDVMZJP-UHFFFAOYSA-N 426.546 2.390 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595900735 HWXVUIRQTALLEZ-WIYYLYMNSA-N 432.594 2.443 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCN2CCCCC2)CCOC1 1616264300 XAGZKBHXTKIUKK-NZQKXSOJSA-N 446.596 2.315 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1 1618378396 URMRSNJRZPOYOH-UHFFFAOYSA-N 446.554 2.191 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(OC)CCOC2)cc1 1619234109 HOZLVVBTRIDPSR-YADHBBJMSA-N 429.496 2.319 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC[C@H]1COCCO1 1619899708 FXLVLYLUXQCHET-LEWJYISDSA-N 441.532 2.460 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1620053565 PXRSIPUCYPBTPM-MSOLQXFVSA-N 433.459 2.483 30 10 IEEE N#C[C@]12CN(CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1620635514 QBRPBBVTZGDQBA-YUXAGFNASA-N 443.956 2.416 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)n1-c1ccon1 1624067493 TUBDCPSWEQVNSQ-UHFFFAOYSA-N 439.497 2.101 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 1629998149 RANMQMDGJLJORE-GOSISDBHSA-N 425.510 2.370 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1c1ccccc1 1631600108 VICGZJOIIVULPI-ZWKOTPCHSA-N 430.457 2.152 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c1 1631615615 DSDGJLJRKNASNF-UHFFFAOYSA-N 442.512 2.150 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 1632363876 LLXGFPMHAIBHQN-WDSOQIARSA-N 433.574 2.319 30 10 IEEE CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1636040139 CKFRZKNQSRPICL-INIZCTEOSA-N 434.496 2.307 30 10 IEEE COCCN(CC#N)C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 1638469820 HGQJIXVFPSGIEH-HZPDHXFCSA-N 429.546 2.334 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 1639963099 TWANWGGPCNWHRL-ROUUACIJSA-N 433.555 2.355 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1644563650 MSUJGPILFIEXLO-ZDUSSCGKSA-N 437.990 2.389 30 10 IEEE COCCNC(=O)CSc1ccccc1C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1644583221 KHQKHGYIMVGUJA-IBGZPJMESA-N 427.526 2.219 30 10 IEEE C=CCc1cc(CN[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc(OC)c1O 1658112176 OOJKDGHSHFRLJR-KRWDZBQOSA-N 431.533 2.439 30 10 IEEE Cc1nn(C)c(N2CCN(C[C@H]3C[C@@]4(CCN(C(=O)OC(C)(C)C)C4)CO3)CC2)c1C#N 1658292392 MKSFXZXUQPKBSY-WZONZLPQSA-N 444.580 2.138 30 10 IEEE CN1CCC[C@@H](CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1683034928 QDSJLKXEKCUTNY-INIZCTEOSA-N 427.528 2.429 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 1683762499 BLPUCOPKCFBLAD-VQTJNVASSA-N 438.494 2.476 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)C2)c(=O)nc1O 1684403511 FBPNUJDJADOHKT-UHFFFAOYSA-N 427.770 2.259 30 10 IEEE CS(C)(=O)=NC(=O)CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1684406792 XQJLWONRGRDFLM-RNFRBKRXSA-N 445.332 2.053 30 10 IEEE COC(=O)CCNC(=O)CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1684463464 RIZKPPWARBINED-UHFFFAOYSA-N 440.475 2.479 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1689848701 AAMNDGPPCRZTLI-ZWKOTPCHSA-N 430.622 2.439 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1690059419 PSIIVFNPMVVABY-CYBMUJFWSA-N 425.555 2.257 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1690093855 MDXOAINXLQCFDO-UYAOXDASSA-N 430.574 2.341 30 10 IEEE C=CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O)C1CC1 1690538432 IHVGQHGUIMSIEV-UHFFFAOYSA-N 427.534 2.039 30 10 IEEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1)C1CC1 1690540007 VRPYJUCVAQIYOR-UHFFFAOYSA-N 426.477 2.257 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)nc32)C1 1690685004 TZYYOKCUSQXDHB-MSOLQXFVSA-N 427.553 2.280 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1691477246 LFROYKWDLLSOKJ-SFHVURJKSA-N 433.516 2.384 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)C[C@@H]1C 1695804757 FXVVCFHWJWKPNT-RBUKOAKNSA-N 425.581 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1705477866 SVRHAQVQZWXVPS-WMZOPIPTSA-N 433.578 2.384 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705500946 VDKQTNPILBWGLP-UYAOXDASSA-N 429.590 2.335 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705538661 WKOMNZIDWOJRCA-IRXDYDNUSA-N 429.546 2.067 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCO[C@@H]2CCOC2)CC1 1705642221 LJJKODPJVCTNPX-JOCHJYFZSA-N 439.560 2.116 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705658509 RPEOQEUZIVWEST-MRXNPFEDSA-N 438.561 2.281 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705725861 VRKLKVMGCJVVKN-GOSISDBHSA-N 448.564 2.469 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705751228 DRDNDYKJHBLBPD-KRWDZBQOSA-N 429.956 2.226 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705898360 JHBJYCKKDYNLLZ-DNVCBOLYSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705907217 DSMVNWODARNCAR-YLJYHZDGSA-N 427.549 2.235 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)C)C2)C1 1705914255 KDTDMPAOFQBATA-PMACEKPBSA-N 430.597 2.416 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(F)(F)CC2)C1 1705916046 NKYCXVKEQKHDRK-GDBMZVCRSA-N 447.552 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H](C)c1nccs1 1705939389 WRQRXYXQQKVSPX-HUUCEWRRSA-N 425.580 2.427 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705944193 XOETXDCWQRVDSS-IAGOWNOFSA-N 434.610 2.137 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1706079767 RFMNKKGVFIEMPI-QMHKHESXSA-N 433.516 2.336 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1706750973 CNEKBCPAIGBAEQ-INIZCTEOSA-N 443.577 2.411 30 10 IEEE CCOC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710389677 GBIWFLYPOUDVHY-MRXNPFEDSA-N 435.536 2.465 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1710698469 ZKCZUBSVCGNNQH-SJORKVTESA-N 439.564 2.470 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1ccc(C#N)o1 1712545868 DGPBTFVHYIMZHF-DLBZAZTESA-N 444.536 2.256 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)c1nccs1 1712561047 GJYKGIMGIJDTSN-NUJGCVRESA-N 445.593 2.439 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)C1 1712688816 DQWMGNQULYSIKZ-INIZCTEOSA-N 439.488 2.459 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1722369545 ARPDIKDBRKUEDF-SJLPKXTDSA-N 436.484 2.083 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1722384866 YWQMXWLHFSHXNX-CQSZACIVSA-N 430.411 2.233 30 10 IEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)c1ccsc1 1723961747 HGJOOKPWZGFHSX-FQEVSTJZSA-N 427.555 2.355 30 10 IEEE C[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1726531612 GICDPVGHHMDLRC-SJLPKXTDSA-N 429.546 2.400 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1729727799 AWSYDDQHJBAWBR-UXHICEINSA-N 437.548 2.339 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1740563030 QJPOEHLVJJBXFQ-BMFZPTHFSA-N 428.541 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1ccc(C(N)=O)nc1 1740635769 ZJOBNFSINLVGAM-UHFFFAOYSA-N 449.312 2.323 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1 1740691383 BLMSDKHUWOOWAY-UHFFFAOYSA-N 426.528 2.469 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cccnc2OC)CC1 1740700355 POKVUDXRXBOKMD-UHFFFAOYSA-N 448.527 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](CC)OC)CC1 1740704877 ZTRGSJGVGDAKDC-IBGZPJMESA-N 425.533 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)OC)CC1 1740707580 HTGJMHIZGOUZDO-LJQANCHMSA-N 439.560 2.475 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740715407 YMOFLHILFNEJBB-MJGOQNOKSA-N 442.589 2.074 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740964007 DXHIQCNCTLJJLS-APWZRJJASA-N 429.496 2.304 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740980730 IZFSYYYZBNHROO-HKUYNNGSSA-N 446.573 2.094 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1740980734 IZFSYYYZBNHROO-MJGOQNOKSA-N 446.573 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)CC(C)(C)C1 1740985626 KECAZEMABFJGFC-MRXNPFEDSA-N 446.577 2.399 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)OC 1744165749 JXLAUANTJMSIOC-NLWGTHIKSA-N 438.532 2.211 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1nccs1 1747193648 GFLGDSSDKCCFSR-UHFFFAOYSA-N 438.561 2.497 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748686486 QBENIFVPRNYNKC-AEFFLSMTSA-N 427.530 2.011 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1748686488 QBENIFVPRNYNKC-SJLPKXTDSA-N 427.530 2.011 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1 1748751786 MGNKZHCVEFXEHJ-OALUTQOASA-N 428.558 2.499 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCOC[C@@H]1C 1748945311 QIUKHLVHZYRMNY-AZUAARDMSA-N 427.524 2.282 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1749037970 LNABMFCJTGWYFG-UHFFFAOYSA-N 437.573 2.178 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749044530 RKFJMAZBNJFTSW-LJQANCHMSA-N 441.601 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnn(C)c1 1749142370 YSAJTSCGSKQDAS-MUGJNUQGSA-N 430.553 2.353 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1749153254 RKEKQEVOJOZPNA-UHFFFAOYSA-N 443.596 2.351 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749456534 HRRQZJSRVIJHHO-QFIPXVFZSA-N 430.553 2.343 30 10 IEEE COCCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1749653594 DRFJQSJGDXOPTQ-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749664140 GTIAGWNTCAUIPM-YCRPNKLZSA-N 431.924 2.285 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)C1 1749711816 CRQMMALVZUAQPB-MJGOQNOKSA-N 434.537 2.343 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1750216316 PEBQXOJSPNDAOA-PKOBYXMFSA-N 444.561 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)CN1CCOCC1 1760119405 ZNAOVXQVCHCCHW-PMACEKPBSA-N 425.577 2.498 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1760153618 WYTQHKCOODYPKI-QZTJIDSGSA-N 435.532 2.201 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCS(=O)(=O)C1 1760223615 WKVCEDSQDVOSLS-LJQANCHMSA-N 440.569 2.317 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1COc2ccccc21 1760244045 KMYXQWMOURBLAL-WZONZLPQSA-N 426.517 2.192 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NC2CCCCC2)CC1 1760258298 SNAGUWNPCGGXCN-UHFFFAOYSA-N 436.560 2.158 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H]2CCOC2)CC1 1760271700 HMAWAHLXFBTLGN-KRWDZBQOSA-N 442.589 2.026 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)[C@H]1C 1760285950 WSHQPPPZOYJGAV-QGZVFWFLSA-N 443.573 2.289 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760297250 MSMODNZLFSHSMP-NZQKXSOJSA-N 441.601 2.337 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760407781 OJOISJZMGAIRDN-MRXNPFEDSA-N 425.537 2.490 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760425399 LINQDVRSCCCORV-RDJZCZTQSA-N 428.541 2.160 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760453218 YPMZYIPXNVKBHH-HSZRJFAPSA-N 426.565 2.158 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1760490336 VAZVSKXBFMCJCB-IMSXRSKXSA-N 445.608 2.476 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1760565982 IUHHTAHIJYDMIG-JKSUJKDBSA-N 426.608 2.105 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1760597601 BNSHIGRYAQQPEF-WJOKGBTCSA-N 442.589 2.423 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC(C)(C)O1 1763089083 FBERXEZUIHVNOJ-RDJZCZTQSA-N 429.546 2.255 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1763297868 XLDMNGYZWMIDLM-RTBURBONSA-N 449.559 2.226 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCOc2ncccc2Cl)CCO1 1770751294 FMBIWRUWXNLYOJ-INIZCTEOSA-N 425.880 2.120 30 10 IEEE CN1CCN(c2nc(Br)ccc2NC(=O)COc2ccccc2C#N)CC1 1852545487 UOTDPDKPEVVDPV-UHFFFAOYSA-N 430.306 2.485 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)[C@H]2CCCOC2)c2ccccc21 1853896756 ZBJWQACGTWEFRN-INIZCTEOSA-N 425.466 2.053 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1=O 1855269529 UPNDHPKDZMMZJX-CYBMUJFWSA-N 427.885 2.169 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1c(OC)cccc1OC 1861486021 VRXROZPEJWCBJK-GOSISDBHSA-N 426.469 2.272 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1862677439 BRMQPVPQQLRFSI-SFHVURJKSA-N 426.400 2.238 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(O)c1 1862735611 OQRQRNYDCPDWEF-SFHVURJKSA-N 425.397 2.015 30 10 IEEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2cc(C)ccc2C)C1=O 1863740399 ZNBGQKJISZURSK-UHFFFAOYSA-N 439.537 2.049 30 10 IEEE CCOC(=O)N1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n(C(C)(C)C)n2)CC1 1870071934 CDCWHNUILMKOJF-UHFFFAOYSA-N 425.493 2.436 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(F)cc3)CC2=O)cc1 1870110873 MKISBCJBOWCIKJ-HNNXBMFYSA-N 434.431 2.337 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)CC1 1890179929 NNDKUFXXDHROHK-FQEVSTJZSA-N 431.552 2.242 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2011680356 JDTMDIVSRPUFJX-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2014424741 CTBTYGMFXACWTI-XUVXKRRUSA-N 428.533 2.153 30 10 IEEE CCOCCOC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C(=O)OC)s3)=C2N)cc1 2084270654 XSIKWGHBOYSQSV-UHFFFAOYSA-N 445.497 2.148 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247832807 VSWVNAHSDVZENQ-UHFFFAOYSA-N 429.351 2.173 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247922224 DQSUKKJJKMOVFD-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE CC[C@@H](CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)NC(=O)OC(C)(C)C 2255537487 XHXHDGZZUHRGFD-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1NC(=O)OC(C)(C)C 2255631791 DTVQEJWRDJZRQB-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2255639803 QPWYJVFFAIXXGZ-STQMWFEESA-N 449.382 2.428 30 10 IEEE Cc1nc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255808371 IUANKOIORSJGQK-BTTYYORXSA-N 449.382 2.346 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255870175 IOCPCARPAUGATI-HNNXBMFYSA-N 429.326 2.286 30 10 IEEE Cc1c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135538 DMJNECTWHOJVEW-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n1 2267150737 VQASWWUIMBPRNB-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267161853 ICSKWWJWJGAWLK-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2267181654 VLFATDGLMQJRNH-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267227150 YZPZOFLXFNGRHB-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267526994 AFDCIDKQUJCFKI-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550669 CITKLLHJZUHMLJ-JKSUJKDBSA-N 446.357 2.342 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2268658506 SKFDGXSYNAJPOI-OAHLLOKOSA-N 448.373 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCCO1 2268716816 PWKWYHJLJOLFGT-WMLDXEAASA-N 447.341 2.392 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2269714234 YSVFVTICWIPDHC-ALXJQNPVSA-N 443.353 2.284 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271387132 MIFBOKMZAYPVCV-GOEBONIOSA-N 448.373 2.237 30 10 IEEE C[C@@H](CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[S@](C)=O 2282840807 JJJSLEMYTJXDNN-FORDYWAESA-N 441.833 2.136 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2298375947 SSEUKIBXKKJWJR-UBHSHLNASA-N 435.355 2.180 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303622357 JXOLXEOPDBOZMX-INIZCTEOSA-N 432.351 2.140 30 10 IEEE COc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)c(OC)c1 2329824630 AUHKKNQGURQBPG-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2337198744 NHAIGZGQGVNPPS-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2342885235 ZJOKNBKPGRUFGG-DLBZAZTESA-N 444.385 2.486 30 10 IEEE Cc1cc2nn(CC(=O)Nc3cccc(C#N)c3)c(=O)n2c(N2CCc3ccccc3C2)n1 57506013 LJUWRRAVPCDGEV-UHFFFAOYSA-N 439.479 2.273 30 10 IEEE C=CCN1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)c3ncccc3S2(=O)=O)CC1 65183446 XOAJKDSHZGOLMV-UHFFFAOYSA-N 445.932 2.304 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccccc2SCC#N)cc1 114995514 DFODMPIRLFDFBJ-UHFFFAOYSA-N 447.538 2.461 30 10 IEEE CC(C)OCCCn1c(=NC(=O)c2cccnc2)c(C#N)cc2c(=O)n3ccccc3nc21 252675939 VNAXPQIXIJDGNJ-UHFFFAOYSA-N 442.479 2.472 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cc(C#N)ccc2F)cc1 432230532 HCHQCJMECQVFNN-UHFFFAOYSA-N 425.507 2.110 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 440375068 CDUDHCBFIBKERA-UHFFFAOYSA-N 444.516 2.234 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCSC 443572212 FESADUUVOQYHIN-UHFFFAOYSA-N 447.651 2.437 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CC2 467865577 REHLLAMJEIYHHK-JSGCOSHPSA-N 445.449 2.308 30 10 IEEE Cc1csc(NC2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 474819974 XVJRHLNEEYBDCV-CQSZACIVSA-N 433.559 2.093 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480960256 ZDSXZBJBPVIXDK-UHFFFAOYSA-N 443.484 2.341 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487159351 QRHFUBKWNKMMFY-MRXNPFEDSA-N 434.422 2.253 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 488532983 XTFOXPACEYPDCC-HXUWFJFHSA-N 442.516 2.199 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)C2=O)cc1 489254845 NMYJKTCWFWOLJH-PMACEKPBSA-N 436.537 2.071 30 10 IEEE N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502035532 XIZSXCBEPXVZDB-OALUTQOASA-N 444.944 2.089 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 506357035 PQAPVJBHIZJURO-DEOSSOPVSA-N 442.560 2.493 30 10 IEEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508939846 VFYKIRBQYASPRB-UHFFFAOYSA-N 435.532 2.386 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 523499417 NFPKTKWEUYHOIT-LJQANCHMSA-N 427.530 2.084 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1 544440571 UMNDHGNMKAYGDE-UHFFFAOYSA-N 426.477 2.313 30 10 IEEE CCn1c(=O)c(C(=O)CN[C@@H](C)c2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 548936386 QTIPTTPBCPHOCT-INIZCTEOSA-N 431.496 2.066 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccs2)CC1 549962080 PBVMCNKQGAQWEN-UHFFFAOYSA-N 448.556 2.217 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(COC)(C(=O)OCC)CC1 555259996 AHXKCNRMGQROKD-UHFFFAOYSA-N 442.520 2.298 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccnc(OC(F)F)c3)C2=O)cc1 557182162 IIDUSQRCWVBJOR-HNNXBMFYSA-N 429.383 2.076 30 10 IEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 558995440 CLNCIXLILBAHHB-QGZVFWFLSA-N 436.520 2.274 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 561103594 ZGZDNCWIIZREEQ-WAOWUJCRSA-N 436.516 2.055 30 10 IEEE C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(-n2cccn2)cc1 577770800 GZFYXMZESFUYAB-CVDCTZTESA-N 442.523 2.286 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1 588225152 VSEUYKXLQKNXPP-QGZVFWFLSA-N 427.873 2.310 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CC2(C#N)CC2)c1 590251097 LIVGPOHDDIYECS-UHFFFAOYSA-N 433.578 2.101 30 10 IEEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615456990 QRTNJTJJXCGPMF-CQSZACIVSA-N 447.948 2.008 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2ccccc2c1 727418051 NNYPFDKWQZUPPE-UHFFFAOYSA-N 427.485 2.450 30 10 IEEE COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 728578393 AFTACCCPEIMMJU-UHFFFAOYSA-N 432.521 2.197 30 10 IEEE COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)c1C 732650085 ZUGWMHUOHNKXBS-NRFANRHFSA-N 435.528 2.407 30 10 IEEE COc1ccc(NC(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)cc1 732706061 DEKZGFXPUUCDNG-FQEVSTJZSA-N 447.495 2.085 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 742279535 WKEHNQTYPYZNSZ-CYBMUJFWSA-N 426.585 2.405 30 10 IEEE C#CCCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 758652784 IOVCQWQERWKLOT-LJQANCHMSA-N 444.557 2.218 30 10 IEEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c2C)n1 760400459 LNWFMMAQIRRUTD-UHFFFAOYSA-N 444.561 2.359 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1cccnn1 766404563 KGQJCTIHYLDTNQ-IBGZPJMESA-N 440.573 2.375 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)OC)nc1 782817813 SEGMVZQSOSCMAA-OAHLLOKOSA-N 430.486 2.104 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CC[C@@H]2CCOC2)cn1 784123513 DRFAZPCYQCQVID-GDBMZVCRSA-N 443.533 2.080 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)OC)c2c(F)cccc2Cl)c1 785131071 WBGFRXLSPAQIKC-KRWDZBQOSA-N 439.848 2.462 30 10 IEEE COC(=O)[C@H]1CCC[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 785945128 CFIIMIDCDMYGOX-ZWKOTPCHSA-N 434.514 2.234 30 10 IEEE CC(=O)N(C)c1ccc(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 786316640 QTNQIADCCORQPL-NRFANRHFSA-N 449.467 2.249 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)Cc1ccc(I)cc1 793112487 NBKNQIHNFLQBRF-UHFFFAOYSA-N 440.262 2.352 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cncn1C 796084017 ILEVPLWJWFHSCI-KAGYGMCKSA-N 449.511 2.330 30 10 IEEE CCOC(=O)[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(OC)c(Br)c1 798849785 ATZVEEIWEHCHRB-MEBBXXQBSA-N 437.250 2.329 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 800776124 ZPNHTZQKQJCWHH-UHFFFAOYSA-N 440.548 2.192 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 802600330 QBADFOJKKXZBGV-ARFHVFGLSA-N 439.582 2.106 30 10 IEEE CC(=Nn1cnnc1-c1ccccc1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917541409 XXQQLBDVXDKYGX-UHFFFAOYSA-N 426.546 2.447 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1-c1ccccc1C#N 917799952 RWNISQWDUJCPNN-UHFFFAOYSA-N 446.875 2.222 30 10 IEEE COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)N(C)C 1134278888 MQTCYTDVFHUFSM-LJQANCHMSA-N 429.498 2.031 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCC[C@](C)(C#N)C2)C1 1137759790 KAWZMRKSVMYVQK-FGZHOGPDSA-N 437.537 2.486 30 10 IEEE CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ncc(C(=O)OC)s1 1148122228 WSGGDBVSZZITOT-AWEZNQCLSA-N 441.469 2.059 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1156246909 CRUCSDWXAACTFS-KRWDZBQOSA-N 433.516 2.181 30 10 IEEE C#CC[C@@H](NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F)C(=O)OC 1161365497 UYJLBPOLUACDMC-LLVKDONJSA-N 445.195 2.343 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)c1 1162052143 DRQAGIDYMGUJPE-UHFFFAOYSA-N 427.526 2.403 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4cc(Br)n[nH]4)CC3)n[nH]2)cc1 1165557936 CSIYGTULEJLOOL-UHFFFAOYSA-N 426.278 2.396 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C(=O)OCC)c2C2CC2)ccc1F 1179909857 KOLMJWFBVGLWQJ-UHFFFAOYSA-N 436.465 2.320 30 10 IEEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1)C1CCOCC1 1253347297 BXSGOABXRGIWFN-HBFSDRIKSA-N 430.549 2.305 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286395868 SPWCZDBUAKTRSG-SFHVURJKSA-N 432.521 2.390 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1286412787 DEVZOTAIBSAILH-ZEQRLZLVSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1286418900 KCSVQHYEPQUVDF-UHFFFAOYSA-N 449.946 2.415 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(F)ccc2F)CC1 1286472597 JSZAGUROVLSMIR-JOCHJYFZSA-N 431.487 2.012 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(-n3cncn3)nc2)CC1 1286633954 NSYDNBNGKQMOIQ-UHFFFAOYSA-N 435.536 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C)C(=O)C1 1286780530 XUFLWECXDSKSGX-UHFFFAOYSA-N 444.948 2.394 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286831117 UNWNJLMRNUMDKB-HNNXBMFYSA-N 436.582 2.206 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CCO1 1286944854 ICZZFPYXKLJZRX-NRFANRHFSA-N 438.532 2.260 30 10 IEEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1 1287103707 SMMUBVPJQZRLOG-MRXNPFEDSA-N 448.568 2.487 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1291971398 TXCTZSLGAUEGRE-HTAPYJJXSA-N 429.521 2.064 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1295056279 AALHDOZYVZKBSA-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE CCN(CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)CCC(F)(F)F 1295865569 DBGPYEAFSZOVSH-GOSISDBHSA-N 445.465 2.117 30 10 IEEE CO[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)CCOC1 1299794109 BBLVBZVMDADGHZ-VFNWGFHPSA-N 446.939 2.263 30 10 IEEE CC(C)c1nc([C@@H](CO)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cs1 1300078126 DSZOPPDTLYOWCC-HZPDHXFCSA-N 441.513 2.193 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1300466659 ZOZHCYHBEFGGBS-KRWDZBQOSA-N 442.520 2.108 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NC2CCCCC2)CC1 1300701283 NABYVLXJXHCNAD-UHFFFAOYSA-N 438.551 2.212 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1300805923 LJCWIHQPCSYWDG-NMNUPHIUSA-N 442.585 2.470 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300875935 QREHRLOIWCTBPM-NMIHRBCNSA-N 444.624 2.372 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1300900252 OLHFKQOVOQKZPJ-HOTGVXAUSA-N 435.550 2.131 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F)C1CC1 1301329381 FNRBZCRCANRAQY-UHFFFAOYSA-N 426.496 2.124 30 10 IEEE C[S@@](=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCC1 1302510048 AZZBPQMPILXRNE-NUUORRKPSA-N 435.594 2.227 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1305151084 WFFORPTWNZACAZ-SIKLNZKXSA-N 437.592 2.314 30 10 IEEE COC(=O)CCN1CC[C@@H](N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1308123555 AWDNIZSOICOXKK-KXUCPTDWSA-N 438.315 2.253 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NCc3ccc(OCCN4CCOCC4)cc3)C2=O)cc1 1308389196 ACZAQNUPULMYSN-XMMPIXPASA-N 434.540 2.160 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(I)cc2)cc1 1309489124 BFQJOSRTWIGHOC-UHFFFAOYSA-N 440.262 2.190 30 10 IEEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1313452972 MECDQADJYOBNDW-HZPDHXFCSA-N 448.531 2.082 30 10 IEEE CN(CCC(F)(F)F)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1314823129 BZLBUCCFNLXFMC-ZCXUNETKSA-N 449.437 2.179 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCCO2)C1 1321293755 WRKIDHOLQFSQOB-VQTJNVASSA-N 436.520 2.271 30 10 IEEE CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1343754870 YSAGGBCQGYYLRO-CQSZACIVSA-N 447.900 2.420 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1Cc2ccccc2C1=O 1354749325 LDHCPQYSRPFIOS-YWNOGDAOSA-N 440.525 2.482 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1358907877 DYLVSZZHMNMCFT-UHFFFAOYSA-N 447.547 2.171 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358908028 JKFBNXXBFCYCKX-HNNXBMFYSA-N 436.969 2.267 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358966120 ICPZBTOMFAVAOH-CTNGQTDRSA-N 443.617 2.030 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCOCC1 1358975362 NWDPUQSJFYPVAK-UHFFFAOYSA-N 426.524 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCc2nccs2)CC1 1359046175 HKOGNXJVRIFGJC-UHFFFAOYSA-N 449.584 2.319 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1359056613 IHKIQPCEJWYJLD-CVEARBPZSA-N 428.649 2.124 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1359158406 QHNORMLBLASBCG-UHFFFAOYSA-N 426.521 2.098 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1359232281 QRCIUOQQDQDDNL-NRFANRHFSA-N 434.562 2.145 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1359267015 RZVCBQWXRHXLCU-KRWDZBQOSA-N 444.605 2.497 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1CC 1359278647 BHQHVYXBCOFLFC-UHFFFAOYSA-N 435.330 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1359294291 PNCDFSRCPWCIJQ-JKSUJKDBSA-N 431.562 2.276 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C(C)C)C1 1359324519 MJFCQUDFQQNKTE-IERDGZPVSA-N 433.578 2.458 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1359331307 VEMWOTMFPVKKJG-HNNXBMFYSA-N 430.534 2.182 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Oc2ncccc2F)CC1 1359332312 UUYJBUSEWOHRMR-UHFFFAOYSA-N 435.525 2.338 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1359339570 JUPKNQHBSZZCOK-NRFANRHFSA-N 429.546 2.337 30 10 IEEE NS(=O)(=O)CCOCCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1449158994 YOFYITIINMOQHE-UHFFFAOYSA-N 440.337 2.011 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)CCCNS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1452386227 SSDNOHFPLDMMMT-UHFFFAOYSA-N 441.509 2.320 30 10 IEEE N#CCN1CCC[C@H](CNC(=O)c2cnn(-c3ccccc3)c2I)C1 1457667998 CBYQRWGQALSDMM-CQSZACIVSA-N 449.296 2.442 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1465942688 RDSWEYCUBPFUAR-UHFFFAOYSA-N 429.527 2.117 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1(F)F 1466735657 CSZPWTKAURVYEB-AAVRWANBSA-N 444.479 2.268 30 10 IEEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 1469964364 ADMVCKBRVFQGSZ-QQMNAOGKSA-N 429.492 2.340 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(C2CCCCC2)c1C 1473707428 MBTSXWQOYPCBCM-ZRZAMGCNSA-N 425.533 2.405 30 10 IEEE CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1476882401 HLRITLDXYUMRMZ-SFHVURJKSA-N 429.502 2.424 30 10 IEEE C[C@H](NC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1nnc(O)n1C 1479375901 MLEQMBXKPDDSRQ-ACZMJKKPSA-N 437.291 2.394 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCSCCCO)c1 1505121418 HQFSOLBHCJGAGP-UHFFFAOYSA-N 449.602 2.204 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@@H](C)CC 1507527029 FYOSCLQIUMPBSX-HOTGVXAUSA-N 445.593 2.001 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1507539872 BHFOVLXJWJHEQX-MRXNPFEDSA-N 427.553 2.465 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507633869 KFXRAGXXRSSYPA-KNQAVFIVSA-N 448.564 2.150 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccc(F)cc2)CCOCC1 1507653105 NCYLLLDJHGEUJV-HXUWFJFHSA-N 435.503 2.190 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C)COC2)CC1 1507721483 SZMRCARQEQZSBP-UHFFFAOYSA-N 430.350 2.499 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507912211 FMZKYDZWHSSOPY-UHFFFAOYSA-N 440.596 2.328 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncn(C)n1 1508001520 UTSLAXPAIYLINW-FPOVZHCZSA-N 448.531 2.243 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1508700546 RFXCFWADRBYMQV-NGFNCXNUSA-N 437.516 2.423 30 10 IEEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCOC1(C)C 1512564969 GHGVDWVMWXQXGL-ZDUSSCGKSA-N 436.438 2.499 30 10 IEEE CCc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513892303 CNNMAUPVQBAIPC-ABUFQMGBSA-N 428.537 2.010 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCN1CCCO 1513917097 HSIGQAYWUWKZNM-GOSISDBHSA-N 441.555 2.025 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CCC)C1 1515121266 DRFFGAHWGHKDMI-IBGZPJMESA-N 426.521 2.260 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn3c(n2)COCC3)c1 1516678523 NSUNPOQJGYGIOD-NKFKGCMQSA-N 431.518 2.259 30 10 IEEE C=CCOCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1533814712 PKASZJBUUSIKNN-DOTOQJQBSA-N 430.364 2.361 30 10 IEEE COC(=O)c1cccc2c1CCN2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536348271 FSEONRDVFASTHK-GOSISDBHSA-N 432.436 2.139 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539147219 DFXBGZIGBJYLAE-OALUTQOASA-N 445.589 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(C)s1 1539304923 JQYQSXWPOROYFY-UHFFFAOYSA-N 440.554 2.020 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cnn(Cc2ccccc2)c1 1539409017 LSQSLYXCGFOKTD-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1C 1539415746 GLYOFAVVOZTPJL-RTBURBONSA-N 446.573 2.042 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCSC2)n1 1539423698 CVIBGRHWGTWBRY-ROUUACIJSA-N 430.578 2.018 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1539677930 LPQNCDJHMXVMQA-IAGOWNOFSA-N 427.615 2.491 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1539735125 FVTCLIMIOBEGMP-JOCHJYFZSA-N 427.505 2.011 30 10 IEEE C=CCn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540860981 XFQSHAQXQUVSBX-FQEVSTJZSA-N 431.497 2.451 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1540879998 UCDAPGUSOWAKDR-KRWDZBQOSA-N 440.548 2.121 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](COC)OC)C1 1540883788 FFAGSCSAGIRSJN-HUUCEWRRSA-N 440.342 2.478 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1541095229 DEBDNIBNMYLGCP-HXUWFJFHSA-N 440.548 2.410 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCCCC2)CCOC1 1541733010 KGIHIFQZEJCBEK-AUSIDOKSSA-N 446.596 2.312 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)c1 1545301302 FFPBZPFVTKBDIY-FQEVSTJZSA-N 443.500 2.086 30 10 IEEE CC(C)(CC(=O)OC(C)(C)C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1558566523 BXQOSYRHAYIHIA-MRXNPFEDSA-N 428.489 2.390 30 10 IEEE C#C[C@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)c1ccc(F)cc1 1564996341 VDMNQNBTTRAZPT-SFHVURJKSA-N 428.468 2.383 30 10 IEEE CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1565330278 SODPKZKECSMWAP-UHFFFAOYSA-N 435.528 2.255 30 10 IEEE C=CCN(C(=O)CN1CCN(c2ccccn2)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1567605795 JROJQTBXQGWJKR-JOCHJYFZSA-N 436.556 2.393 30 10 IEEE N#CCCN(Cc1cccnc1)C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1583564117 HLWIBQZFTQPXRA-UHFFFAOYSA-N 426.420 2.321 30 10 IEEE CN(CCc1ccccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)OC(C)(C)C 1585297407 UBUURVHFZVGFOZ-VZCXRCSSSA-N 442.516 2.352 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 1585640249 LVCBPBFAEKCFEO-UONOGXRCSA-N 434.459 2.491 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 1587501288 SSJVINJHVDZRAC-MRXNPFEDSA-N 436.896 2.300 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1587690062 YFVRHNVXHGJKIY-XDHUDOTRSA-N 447.543 2.286 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588073762 DHSSHOBMULHWGV-GOEBONIOSA-N 437.591 2.010 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nccs2)C1 1594824686 OUWHMZCGCJIGCM-MRXNPFEDSA-N 432.550 2.028 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1595766874 ZQJVRDOIJONDHW-QGZVFWFLSA-N 442.488 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595798211 NNPZYFMMAUSVDQ-UHFFFAOYSA-N 442.545 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C#N)c(Cl)c2)C1 1597577208 SZNRZAWGJZVJBU-HNNXBMFYSA-N 441.937 2.366 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1597706540 IDUTXCZMDLEAEV-UGDMGKLASA-N 440.573 2.223 30 10 IEEE COC(=O)[C@@H]1CCCN(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)C1=O 1598304390 QIJBCBOXCABYPA-CZUORRHYSA-N 425.407 2.358 30 10 IEEE CC(C)[C@@H]1C[C@H](N2CCCC2)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1606972400 UBVZZUPZWKUMHG-ACRUOGEOSA-N 437.544 2.485 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613368292 MCTGMFVDGJHAIO-VSWWBWOZSA-N 428.537 2.179 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1615100266 HQBOASBYSAEBAH-DLBZAZTESA-N 447.584 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCO[C@@]2(CCOC2)C1 1617132305 PFMCOBWQUYJHNX-XXBNENTESA-N 427.501 2.410 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1618051997 JFQLIOJOJUVWTD-ZYKFHVCXSA-N 429.496 2.453 30 10 IEEE C[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(N)=O 1622189335 CYHWAPHGFSNWME-MGPLVRAMSA-N 440.294 2.396 30 10 IEEE CC(C)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)Nc1nccs1 1623307330 VZALKKLUNOCFPN-HNNXBMFYSA-N 438.506 2.363 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1624033904 ZVPPWUHSYHTAMQ-ZNMIVQPWSA-N 431.455 2.162 30 10 IEEE C=CC1(CC(=O)NCCS(=O)(=O)NCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 1624753882 ITNDCULACHPCKS-UHFFFAOYSA-N 437.562 2.035 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 1628931569 JINYSICNDWSVCV-SFHVURJKSA-N 437.562 2.038 30 10 IEEE N#Cc1cn(CCNC(=O)c2cc3sc(Br)cc3s2)c(=O)nc1O 1630034882 KZXVSTHYYIPRDB-UHFFFAOYSA-N 425.289 2.289 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1632079443 ZBCSQDVMUYHPOO-INIZCTEOSA-N 432.454 2.175 30 10 IEEE CCOC(=O)[C@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCCOC1 1633781852 DXJZQXKKVKXFIW-PKOBYXMFSA-N 431.338 2.382 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1cncs1)Cc1cncs1 1636181563 NQLXKNQGQFPDHY-UHFFFAOYSA-N 447.567 2.257 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 1645781542 LKFSDQSVARZJJI-UHFFFAOYSA-N 431.492 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1649538093 MQPQTYCMXBRZIN-YKSBVNFPSA-N 445.608 2.423 30 10 IEEE COC(=O)CCN1CCC[C@H](Sc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)C1=O 1656079225 GVUJBNGFEJYSQM-INIZCTEOSA-N 442.497 2.376 30 10 IEEE N#Cc1ccc(N2CC[C@H](N3C[C@@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)C2=O)cc1 1656532125 YYKRMPLYURXGNO-ZVZYQTTQSA-N 427.448 2.105 30 10 IEEE C=CCn1cc2ccc(NC(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)cc2n1 1664849445 HCAIXBKZWGTLDQ-UHFFFAOYSA-N 433.516 2.478 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OCC 1665221593 KVLATOIQLAGSQH-JTQLQIEISA-N 440.337 2.473 30 10 IEEE C=CCN(C(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1674744413 HAWIRRMYPPZMGZ-GFCCVEGCSA-N 443.909 2.292 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1690083708 MDSJBVZWMHQAST-GOSISDBHSA-N 431.562 2.049 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(=C)C)CC1 1690120514 XLAJNLDZNKTSPP-UHFFFAOYSA-N 431.544 2.479 30 10 IEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNC(=O)C(C)(C)C)CC1 1690131432 ZOYHDDRDMQMQPU-UHFFFAOYSA-N 447.587 2.199 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1690254435 AOVQKCRQWRXPHI-IBGZPJMESA-N 440.596 2.354 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2COCCO2)C1 1690690107 RIOFPIWKIKEIBJ-OALUTQOASA-N 429.477 2.440 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694751433 HAVDAMLPYAKCMB-HMDOMZECSA-N 440.479 2.084 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1695067938 AGJQZKWBQHSCMD-NQIIRXRSSA-N 431.562 2.381 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705628746 OBEVVGLLYPQXAA-SJORKVTESA-N 429.487 2.142 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)CC1 1705636465 LOLYMKYGJNVWIT-MRXNPFEDSA-N 436.343 2.423 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1705642731 FUQQFCQWZWBUQC-HXUWFJFHSA-N 440.567 2.483 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705661101 RQSLLHIJJKYVPK-UHFFFAOYSA-N 447.630 2.015 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705735721 WIPWZPDMXNEIQG-FGZHOGPDSA-N 446.640 2.370 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2occc2C)CC1 1705780081 FFEAJSQGWHJSMY-KRWDZBQOSA-N 426.521 2.353 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705824870 CMIPSRIASPVNJJ-UHFFFAOYSA-N 446.596 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)CC[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1705938543 BOVIIMPSQGFWET-MBOZVWFJSA-N 426.583 2.156 30 10 IEEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1706634210 LABWMFMYVDMZPF-UHFFFAOYSA-N 427.509 2.051 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710295221 DKZKOFIRIRUKDS-FDDCHVKYSA-N 440.571 2.364 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)C1 1710349788 BXEMUPBQGOCYNZ-GOSISDBHSA-N 444.561 2.047 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1=O 1712478781 HRAOOFGKEDGMLD-UHFFFAOYSA-N 445.527 2.058 30 10 IEEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1712619180 QVGAVOBVPFNGGW-HXUWFJFHSA-N 436.516 2.058 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1712685834 URFZYVAKBAXUEV-GOSISDBHSA-N 448.480 2.263 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@]2(O)CCOC2)cc1 1712880673 ONHVLEQXMBBGMV-IERDGZPVSA-N 433.459 2.362 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(=C)Cl)c1 1722307025 ILGQVBNVJBVNMX-UHFFFAOYSA-N 426.908 2.209 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1722511409 ZBUHEDUPZMJALH-APWZRJJASA-N 430.578 2.317 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccnc1N1CCOCC1 1722680181 ANVONCAWJLRYRU-LJQANCHMSA-N 428.537 2.048 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(C)(=O)=O)C1 1722721318 FQFLGTYXKFHBBJ-GVDBMIGSSA-N 426.583 2.023 30 10 IEEE C[C@H](N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F 1723904492 ZPQNQTNNGCXGFU-ZDUSSCGKSA-N 434.426 2.264 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1724018266 QDCJDNZTURJWBG-KKSFZXQISA-N 430.459 2.353 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1726451704 YCWQUORZXSUWKU-CYBMUJFWSA-N 426.427 2.327 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1C[C@H]1C 1730868532 ISIRXERVSWDMMC-XMTFNYHQSA-N 440.552 2.035 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1740622553 ZLDBQZSIIYGOSS-INIZCTEOSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCOCC1 1740652826 ODPDHFCAZOWIHC-UHFFFAOYSA-N 430.512 2.135 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1740663964 WYYDKKOGCNZHHN-QHCPKHFHSA-N 441.580 2.339 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CCC1 1740959360 SOTNOAWFRMILEN-UHFFFAOYSA-N 435.532 2.356 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)cc2)C1 1740977426 VBZNLQOXTCYHIX-IBGZPJMESA-N 433.516 2.255 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCNC(=O)C1CCC1 1742834926 XFSQFWGWIGNHTP-UHFFFAOYSA-N 425.512 2.230 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1748661420 GBAQSTAYJGLBLR-CQSZACIVSA-N 430.559 2.146 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749037218 BSPKJNHTZXTPQS-IAGOWNOFSA-N 426.608 2.290 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OC)C1 1749454079 ALFCBMQHOUIMTC-KRWDZBQOSA-N 448.593 2.446 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1)C1CC1 1749510278 CWNNRDSPLZHTFS-NRFANRHFSA-N 432.546 2.309 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1749532870 YUWVPWSSRFUTAW-XMSQKQJNSA-N 438.557 2.161 30 10 IEEE C=CCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749643558 VUIWCAOJIGGRJV-NFBKMPQASA-N 432.613 2.109 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C1CC1 1749649781 AODRJBNWBIEYOR-UHFFFAOYSA-N 426.496 2.124 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)C1 1749711817 CRQMMALVZUAQPB-PKOBYXMFSA-N 434.537 2.343 30 10 IEEE CSCC[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750304939 VIXPHXXUKJHAMO-VFAFWLKOSA-N 448.593 2.276 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1751587924 GADHGZMNWOHLHM-MOPGFXCFSA-N 442.589 2.328 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)Cc1ccccc1 1760122335 JVEYWNZNONKSFE-GOSISDBHSA-N 440.573 2.213 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(S(C)(=O)=O)CC2)c1 1760127209 TXQGTHWXGIDDKE-UHFFFAOYSA-N 429.546 2.035 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1760363594 QOOGARYBYPILKX-FQEVSTJZSA-N 425.533 2.181 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760441791 UXHAKJRHOXDUGR-DENIHFKCSA-N 437.592 2.219 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1)C1CC1 1760469243 AAHZULSTDYGAMV-OAQYLSRUSA-N 432.546 2.309 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1760478790 RNJNAWRGKGJETA-HKUYNNGSSA-N 447.605 2.332 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1762063033 BTVDSSUCWWDNAK-CDXJDZJCSA-N 431.562 2.108 30 10 IEEE CCCN1CCC(N(C)c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1766098401 FLXYJSPPWQCERS-XUTLUUPISA-N 429.569 2.239 30 10 IEEE CN(C)C1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)CCC1 1768480435 UGJJQAWBTQQUBP-OAHLLOKOSA-N 448.369 2.259 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CC1 1769224253 GUUOPBXKHZFSJU-UHFFFAOYSA-N 449.490 2.392 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1sccc1S(=O)(=O)NCc1ccco1 1772792841 PJHVZYXSAKQVAC-UHFFFAOYSA-N 432.435 2.188 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4F)C3)CO2)nc1 1851782602 GMQDBOYAQMNXGU-UKRRQHHQSA-N 430.823 2.462 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 1852328917 UDTZIVAAYYWMRX-DENIHFKCSA-N 436.464 2.483 30 10 IEEE N#Cc1ccc(F)c(C(=O)O[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c1F 1852528658 RJLMSKYXLDQRPU-DOTOQJQBSA-N 425.391 2.005 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)n1 1852699456 QMOHNWKDEKLTAX-UHFFFAOYSA-N 431.418 2.359 30 10 IEEE C[C@@H]1CC(=NC(=O)CCn2nc(-c3cccnc3)ccc2=O)NN1c1ccc(Cl)cn1 1853116005 PNWOBHZWHWZHSQ-CQSZACIVSA-N 437.891 2.472 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C3CC=CC3)C2)CC1 1855452878 RZVUEKLPTASDLW-IBGZPJMESA-N 427.526 2.300 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2c(C)cnn2C)CC1 1855606957 BZGMTJXIWHJGOV-UHFFFAOYSA-N 428.514 2.189 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cncc(Cl)c4)C(=O)C3)C2)s1 1856325501 GJJWWMLBFQHJMD-MRXNPFEDSA-N 429.933 2.227 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862704425 ZLWOQGYOSOFIKF-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862754123 DORVDZXJIJERCD-GTNSWQLSSA-N 427.369 2.462 30 10 IEEE COc1ccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3cccc(C#N)c3)c(C)o2)cc1 1866675821 OORBQCUCXLTPRI-FQEVSTJZSA-N 434.452 2.189 30 10 IEEE CCCCCCCCC(=O)Nc1nc(N(CC)CCO)nn1[C@@H]1CCS(=O)(=O)C1 1870051187 CXLWMWAODQRHNF-MRXNPFEDSA-N 429.587 2.145 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664151 CRXYVKKKGGNDDS-UHFFFAOYSA-N 447.543 2.401 30 10 IEEE C=CCOc1ccccc1OCC(=O)NCCn1c(=O)c(=O)[nH]c2cc(Cl)ccc21 1873715755 ILWVGNYYKMRJOF-UHFFFAOYSA-N 429.860 2.103 30 10 IEEE COCCc1nnc(SCCCO)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874473929 DPIILNGFUZAQEG-VCHYOVAHSA-N 445.339 2.300 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ncc(I)cn2)[C@H](C#N)C1 1905269129 ZLTCRWUDJZPBSW-GFCCVEGCSA-N 429.262 2.026 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(I)c(C)n1 1988512696 AFLBLHMCFKNJBC-NSHDSACASA-N 430.246 2.245 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2014424731 CTBTYGMFXACWTI-HSALFYBXSA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659219 JXQQCCQBUABFAN-ZBFHGGJFSA-N 433.314 2.002 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCCOC1 2141666732 APXBPVIVJFWFJF-QFIPXVFZSA-N 447.341 2.393 30 10 IEEE N#Cc1cc(N)ccc1S(=O)(=O)NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2207139015 SZQMCSUJSVNXPH-MOMVYJMYSA-N 426.498 2.266 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2245015148 ZKMIWCUKFPYMGB-UHFFFAOYSA-N 425.526 2.088 30 10 IEEE C=C(CN(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 2248396154 WBBQBCRFIGCMAR-CQSZACIVSA-N 426.319 2.089 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2248400967 DDUVZQAUQXBYGA-OAHLLOKOSA-N 426.319 2.248 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403150 BJTSSAOZIWSJOI-LBPRGKRZSA-N 440.375 2.139 30 10 IEEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413699 ZJVDIOUEUODBDA-GFCCVEGCSA-N 441.359 2.311 30 10 IEEE CCCN(CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248433736 PGBROWPOXDKRMP-UHFFFAOYSA-N 440.375 2.235 30 10 IEEE CN1CCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C[C@H]1C#N 2248510940 SLNQZGMDQLIKNJ-LJQANCHMSA-N 428.533 2.106 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 2255190414 TXUWIPYTGMTKKE-MXVKAMRISA-N 449.548 2.044 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255539723 COWQXAPDWANKFZ-RCDICMHDSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)Nc1nc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)cs1 2255631769 DMQZANWDGONSAN-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE Cc1ccnc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255640817 ZIZOYYLDLPSQII-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255808018 CMTFBLGEAFTJGK-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255823529 VTMFTRBXEFJMGS-QLPKVWCKSA-N 432.326 2.482 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOCCNC(=O)OC(C)(C)C 2255827975 AOTDGLUNNAVDIT-UHFFFAOYSA-N 438.330 2.158 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)n1 2255833671 HDDHGNBMTRCKEQ-KRWDZBQOSA-N 426.370 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2256638648 BYZCEERRDZKFIE-XIRDDKMYSA-N 436.358 2.441 30 10 IEEE Cn1nc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267136265 FGLHFMLXPJVNTF-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)o1 2267498406 UGOLOYXBMJGONA-UHFFFAOYSA-N 448.285 2.281 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 2267529541 MPZXYGIBLUEDJO-IBGZPJMESA-N 439.365 2.441 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2267604542 OBIFSLNPOXBCOD-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881241 GAFWLQALPWYYGC-LSDHHAIUSA-N 446.357 2.199 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268655534 MYZAKFPFKVSUBP-RDTXWAMCSA-N 446.353 2.102 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1(O)CCC1 2268701422 PRENTXRHHBZBQW-INIZCTEOSA-N 447.341 2.128 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296932983 ZZQDMYOSCYDGJN-HXUWFJFHSA-N 426.469 2.432 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315532720 IKVMOJDWYFOLPQ-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2315646067 QWOIWGHANAEQMC-LLVKDONJSA-N 447.288 2.116 30 10 IEEE COCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331589495 NFULBKUXCLDFKR-UHFFFAOYSA-N 448.505 2.462 30 10 IEEE C[C@](C#N)(NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)C1CC1 22848893 MEAILNRAUPHPPB-HXUWFJFHSA-N 437.466 2.070 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 29821317 BWGGLKCEXXGCEQ-RBBKRZOGSA-N 443.931 2.483 30 10 IEEE N#CCc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Br)cn3)CC2)cc1 30536520 DLJLNAGZBHNKCJ-SFHVURJKSA-N 431.334 2.472 30 10 IEEE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 33386003 WFYVVJNOLZYVIW-VVBXCHJUSA-N 445.614 2.317 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(CC(F)F)CC1)CCCC2 60906504 YZZKRZFHEYBIAP-MRXNPFEDSA-N 435.519 2.239 30 10 IEEE COc1cccc(N2C[C@H](C(=O)NCC#CCOc3cccc(NC(C)=O)c3)CC2=O)c1 90732096 QSLIAUQNWDHVNC-GOSISDBHSA-N 435.480 2.205 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(I)c(F)cc1F 435011371 BGIHBNZWGMIROW-UHFFFAOYSA-N 449.239 2.257 30 10 IEEE C=CCn1c(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)nnc1-c1cnccn1 440868124 NUWAUEOAWMZPCB-UHFFFAOYSA-N 448.505 2.195 30 10 IEEE Cc1ccccc1-c1noc(=O)n1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 444410914 KMQHDSMVJYBMJG-HXUWFJFHSA-N 435.459 2.360 30 10 IEEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 465386680 GTRRGJBSLNAOGN-MOPGFXCFSA-N 447.557 2.381 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 472289320 BBZWCYCKPDZXQS-SIKLNZKXSA-N 442.541 2.260 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 498382395 LNFQFVSLIYRLJQ-UHFFFAOYSA-N 425.533 2.045 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 504869649 NVCNGAPOBKPULW-SJLPKXTDSA-N 447.561 2.109 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)CC1 506968962 QLSWUININNDUTK-UHFFFAOYSA-N 434.562 2.255 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c1 524749371 PLPHXCZJWLZJEC-IBGZPJMESA-N 438.549 2.107 30 10 IEEE O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 551496972 ULGQDAULKPPZGR-UHFFFAOYSA-N 441.303 2.393 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3Cc3ccccc3)CC2)nc1 558915643 XNTDTOXVWXKPDY-HXUWFJFHSA-N 431.500 2.008 30 10 IEEE CC(=O)OC[C@@H](O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 605697786 CGHAMUDDHDJEAF-TVWUHQBQSA-N 446.540 2.491 30 10 IEEE in-vitro CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccnc(C#N)c3)CC2)cc1OCC 610991452 NAYROQZOWWONRP-UHFFFAOYSA-N 430.530 2.257 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 679530706 MOLVOHWNNPOOGJ-UHFFFAOYSA-N 438.271 2.293 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2ccc(=O)c3ccccc32)c1 742336169 JRTULOANRRUFGK-DARPEHSRSA-N 438.509 2.453 30 10 IEEE CN(C(=O)COC(=O)c1n[nH]c2ccc(I)cc12)C(C)(C)C#N 745474828 FXYCVGVRQVCTLH-UHFFFAOYSA-N 426.214 2.085 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1 748534858 PIQYEZLAGLIMSZ-KRWDZBQOSA-N 446.529 2.034 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)cc2C1=O 748760399 MLJLBPPUJRWTHE-UHFFFAOYSA-N 432.480 2.423 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)C(=O)C2)c1 748946000 TXHCHSHUDRFCKC-NMWGTECJSA-N 447.561 2.118 30 10 IEEE C#CCN(CC#C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCC 752153851 LKZWGHBTTBIHNW-UHFFFAOYSA-N 440.569 2.258 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)ncn1 756868904 RSOKVGQQZRMUDS-GOSISDBHSA-N 444.536 2.124 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N(CCC)C(C)C)CC1 771528054 QYUSRORVQYPXBL-UHFFFAOYSA-N 429.565 2.399 30 10 IEEE Cn1nnnc1CCn1c(-c2ccc(C#N)cc2)csc1=Nc1ccc(C(N)=O)cc1 771528318 LWGFKFPVIMKHOP-UHFFFAOYSA-N 430.497 2.186 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 781649074 NZMKJSHZAPKPPW-UHFFFAOYSA-N 447.564 2.409 30 10 IEEE COc1ccc(NC(=O)[C@H](C#N)C(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)cc1OC 783076877 KRTHGJTYRCPECD-OAHLLOKOSA-N 447.488 2.377 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@@H](OC)C(F)(F)F 787460520 DBSNQGLNAQPMGZ-DZGCQCFKSA-N 435.468 2.368 30 10 IEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C)[C@H]1CCS(=O)(=O)C1 809865015 GNGJKZYHZXQODU-LBPRGKRZSA-N 427.299 2.010 30 10 IEEE C=C(Br)CNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 810223589 NMJUMWDUTQKKLT-JCTPFYOHSA-N 441.325 2.491 30 10 IEEE COCC(C)(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 813561351 HZLIQZOOWUNKML-KRWDZBQOSA-N 438.569 2.498 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1OC 915484795 LPBOAQCTEPKQHP-JQHSSLGASA-N 443.500 2.024 30 10 IEEE Nn1c(NN=Cc2ccc(F)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1084089808 DWMHVNZKENQLJD-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)NCCc2ccccc2Cl)n[nH]1 1084286193 JAWTWXHQAYGUAJ-UHFFFAOYSA-N 432.941 2.397 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 1125316416 KURZWBGBBGMVRU-OAHLLOKOSA-N 430.505 2.009 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C#N)nnn1Cc1ccccc1 1130753689 RWGBLHRXIQAUPZ-KRWDZBQOSA-N 428.493 2.455 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)Cc3ccccc32)ccc1F 1134367924 QWDRXAJBQHKRPP-INIZCTEOSA-N 432.473 2.282 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 1136672414 MXZNQDHDLYTIQG-HTXNQAPBSA-N 433.390 2.206 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)OC)s1 1140146639 IIOLRRIOOOUELY-OAHLLOKOSA-N 436.555 2.345 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CSCCSC2)c1 1141802925 DENZDNARKOMIDA-KNTRCKAVSA-N 428.605 2.135 30 10 IEEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)[C@H]1c1cnn(C)c1 1155063578 QAELLKIUQRFMTM-NJDAHSKKSA-N 431.452 2.213 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)CC1 1176864343 IJAWLCSOYBULCO-HAGHYFMRSA-N 433.597 2.056 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1286444387 WJNJBBDCBLGKRL-IRXDYDNUSA-N 430.553 2.336 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286573648 NNYDRZMJNIWCNA-UHFFFAOYSA-N 441.561 2.436 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286606663 XFYWGHRYHKSSFS-HXUWFJFHSA-N 449.559 2.410 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1286784025 UHXBKECELBAVHP-UHFFFAOYSA-N 447.547 2.406 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](CC)C1 1286791130 NLJFLBIOKKBEOY-YJBOKZPZSA-N 429.546 2.425 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286831403 ZYWVVZABVNPYEM-KRWDZBQOSA-N 428.562 2.144 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1288526185 SPCJFUFVCVGDFZ-LPHOPBHVSA-N 435.507 2.486 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1288529003 FCMXAXZPKBADFJ-ORIGZDJFSA-N 425.518 2.195 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c(OC)c1 1300041882 VZCBCXWAARBPQJ-VGSWGCGISA-N 442.495 2.319 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300496355 QAVWBGJMHUXMDT-IBGZPJMESA-N 435.638 2.225 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300502812 XYXXJWAZAKQLCP-FQEVSTJZSA-N 433.622 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCOCC1(C)C 1300654597 AJYHCNZEABBQDZ-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCOC[C@H]2C)CC1 1300709679 AUCFNDYBFXLHBQ-WOJBJXKFSA-N 439.560 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1300896696 IHIBSMVWARXNEP-IERDGZPVSA-N 429.496 2.256 30 10 IEEE COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1301399779 PQRSGRSFSBDHET-UGSOOPFHSA-N 428.518 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(C)(C)C)C1 1301587239 XPVBMFDPOSBDOP-HNNXBMFYSA-N 449.577 2.479 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1302204520 HWRHXAFIMVEKOY-UHFFFAOYSA-N 434.508 2.060 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1306785416 QFXYTZDKHRJDJO-LJQANCHMSA-N 434.552 2.062 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 1309371548 ICBPDUFHLNKHAI-HZPDHXFCSA-N 425.304 2.084 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 1310052630 VBPGQNWPNZLOCW-UHFFFAOYSA-N 435.546 2.252 30 10 IEEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CCO2)O1 1312539484 SXRKHLFRXHISAQ-BTRQGYIVSA-N 430.505 2.205 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NCc3ccc(-c4nncnn4)cc3)CC2)c1 1312944952 HNTCWRRGFNQMTK-UHFFFAOYSA-N 428.500 2.269 30 10 IEEE COc1c(C)cc(C)cc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1344612148 UJMKXHUUMZCKBO-MRXNPFEDSA-N 427.482 2.042 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1358904179 XZFQREQFICKLLK-QGZVFWFLSA-N 439.520 2.444 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1358967264 HBZPUXRDWBAEQI-IBGZPJMESA-N 446.573 2.137 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(F)(F)CO1 1358987487 IKBCBBFFDDBWFP-QGZVFWFLSA-N 448.495 2.236 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1358998071 OTUFLESXUFPDEM-UHFFFAOYSA-N 449.433 2.007 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359009434 PROOMNHBLOCCTR-YDZRNGNQSA-N 445.564 2.266 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCN1CCOCC1 1359016190 SSOPVFRVJDYUOH-UHFFFAOYSA-N 435.507 2.236 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(F)F)CC1 1359030641 AJPXMXZKXJKFQI-UHFFFAOYSA-N 443.296 2.073 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359056927 NXTXZSLXRVGSBB-OAHLLOKOSA-N 445.511 2.043 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359060182 NHNDPKNTRIPICF-HSZRJFAPSA-N 439.585 2.155 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1359111509 DOIRBSFGNLGQRJ-UHFFFAOYSA-N 430.553 2.255 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359345737 OQVSZXCDYRSEQZ-SFHVURJKSA-N 448.637 2.009 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1359473368 ASZBSAWQFARMGG-KRWDZBQOSA-N 434.552 2.024 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1449425860 OZNAZJWIZIZLIF-QGZVFWFLSA-N 432.498 2.316 30 10 IEEE N#Cc1cccc(C2(NC(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CCOCC2)c1 1453580752 DMVGBMSPOSBQRE-GOSISDBHSA-N 426.494 2.305 30 10 IEEE CS(=O)(=O)N1CC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 1465278999 DVOCSDUPDRPOGK-LJQANCHMSA-N 428.514 2.487 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)CC2)c1C#N 1466921718 MUJNRGCWHJTHTI-NVXWUHKLSA-N 430.553 2.142 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)c2cnccc2C#N)CC1)C(=O)OC(C)(C)C 1470535836 VQYSKPJFMSACTO-UHFFFAOYSA-N 429.521 2.321 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OC 1475688465 KZGZYTUKTWTYRX-LBPRGKRZSA-N 434.308 2.412 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CCC1 1479310119 CKJMXEFCCUCPKV-SFHVURJKSA-N 434.562 2.282 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1492359240 HQJQMWXTVQIHSG-DYESRHJHSA-N 447.536 2.432 30 10 IEEE C[C@@H]1CCCN(CCCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1493794242 UUMAYTFXXVXMOD-XMSQKQJNSA-N 431.560 2.355 30 10 IEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1500410479 ICOBRKDOFCMLRV-IBGZPJMESA-N 430.578 2.172 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCc2ccccn2)C1 1503680592 XEBMQZKRYVSPSS-XMMPIXPASA-N 431.544 2.347 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccccn3)n1CCOCC(F)F)C2 1505316647 FUNOSYBRWHQOQT-UHFFFAOYSA-N 441.442 2.081 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1507561486 QKVLDASTWHYMGX-CVEARBPZSA-N 427.509 2.117 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccs1)N1CCOCC1 1507658988 JQBNKTWQXURVCM-RTBURBONSA-N 425.558 2.337 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(CC)C2)CC1 1507718900 VGFIHPRZTAQJFQ-MRXNPFEDSA-N 446.397 2.133 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1507796319 OGGPGZQKGJIMMT-TZIWHRDSSA-N 425.533 2.221 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)C1 1507797200 RMQCVHKXOCNBAS-UWJYYQICSA-N 441.532 2.270 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC 1507818310 LKBIAENNAYWJTE-UHFFFAOYSA-N 429.550 2.287 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508076068 ZMTWYTAONAXFPC-OAHLLOKOSA-N 446.914 2.241 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1508136484 SQYDOTUYNHQXCS-LJQANCHMSA-N 445.589 2.431 30 10 IEEE CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1508845381 PKCZUUBPMVFKSV-XMMPIXPASA-N 446.559 2.264 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@H]1COCCO1 1509223274 IFSQODVYVONBAX-QFIPXVFZSA-N 438.576 2.476 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1Cc1ccc(C#N)o1 1509583931 DTXFKGVLMDLNQR-UHFFFAOYSA-N 428.493 2.051 30 10 IEEE CCc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)no1 1513739985 CLUTUPUQGYTZMW-INIZCTEOSA-N 427.896 2.439 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1519115009 HIWWCMDFUMHYCM-NRFANRHFSA-N 434.548 2.470 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1519451068 UDUCCECYWKKLQQ-SXLOBPIMSA-N 441.532 2.007 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2Cc2nnc3n2CCC3)c1 1539038873 VRLOYPSABYUYAL-MRXNPFEDSA-N 432.532 2.434 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC(C)C)c1ccccc1OC 1539178841 KOCULTNQOGQGPX-FXAWDEMLSA-N 446.573 2.425 30 10 IEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539206660 UFEMAWAHRUNSEH-KNQAVFIVSA-N 448.589 2.057 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CCC(C)C)CC1 1539873895 GJJSORGIOMHMJE-OXQOHEQNSA-N 427.615 2.478 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540028733 SITOZHLTXIPJAA-SFHVURJKSA-N 426.521 2.102 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1540871012 BPCZYVROMKCNPT-UHFFFAOYSA-N 430.578 2.193 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540918147 KOZQCAUIEBTDFS-UYAOXDASSA-N 428.606 2.340 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1540970360 NJVGKCKHFFEJPW-UHFFFAOYSA-N 445.483 2.300 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCS(C)(=O)=O 1541349385 KALCPFDMOHISMC-UHFFFAOYSA-N 432.550 2.151 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1541803040 BPEFZQAMWUSIAZ-OPYAIIAOSA-N 434.610 2.466 30 10 IEEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1542667475 ZRLGBIICBZHNND-BFQBXFRASA-N 449.515 2.288 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1545574240 HLOXPYUTCGATSF-HRCADAONSA-N 430.475 2.174 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552414642 CTIIFHHENXUEBC-PMERELPUSA-N 426.502 2.150 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1552748953 FQLVFDCGGRQNFY-HOCLYGCPSA-N 434.342 2.105 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c1 1556611875 JBKOABYXGWGHLN-INIZCTEOSA-N 446.378 2.485 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1556797491 ZKJRUCAFNQZYMF-LJQANCHMSA-N 428.489 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)c4coc(C#N)c4)CC[C@@H]32)CC1 1557020509 NWAPWLSCQMKQKQ-ROUUACIJSA-N 443.504 2.159 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)c1 1558627227 RZMASIJUCNQNEJ-UHFFFAOYSA-N 429.498 2.075 30 10 IEEE Cc1cc(N(CCC#N)C(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)ccc1Cl 1559452964 HUJGVIBLOHATDH-UHFFFAOYSA-N 425.876 2.434 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 1562929296 OYHMABCFDFYAGL-ZDUSSCGKSA-N 433.324 2.027 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1568787663 MDHZGDJRERBIEW-VAMGGRTRSA-N 446.569 2.319 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)cnc2OC)cc1 1584788101 MWKJZVXHFJKLBZ-UHFFFAOYSA-N 440.319 2.247 30 10 IEEE C=CC1(CC(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1586520422 XYTLEZDJCNBDCX-MRXNPFEDSA-N 441.569 2.486 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CC4(CCOCC4)CO3)C2)C1 1587520855 UPVWPMKWCMVFAT-SRXHXZOOSA-N 433.549 2.475 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCC[C@H]2C)c1 1587689607 NDOFOHOUPORFKA-GOSISDBHSA-N 446.559 2.219 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588075134 YPVASMFTHMTYKF-VQTJNVASSA-N 449.621 2.022 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)C(F)(F)F)c1 1588106166 NZTRDCHRDNWHDW-NVXWUHKLSA-N 436.365 2.091 30 10 IEEE N#Cc1cccc([C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)C(F)(F)F)c1 1588106168 NZTRDCHRDNWHDW-WBVHZDCISA-N 436.365 2.091 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCC[C@H](O)C2)n1 1588724303 WYRQSTHGKXGAMO-UGKGYDQZSA-N 449.559 2.374 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnccc2OC)CC1 1588857043 HXCKVEDCMZOJAJ-UHFFFAOYSA-N 432.528 2.107 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1589047657 DQURFUYZWWUYEY-GOSISDBHSA-N 425.562 2.358 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cc[nH]n1 1595101099 XRESEHXWZNQGKX-HXUWFJFHSA-N 446.515 2.347 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595522990 LSDMRHABTCMHAO-UHFFFAOYSA-N 434.426 2.031 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCN(C)C2)C1 1595744041 IWKKFBAQODZRQB-ZJSXRUAMSA-N 425.577 2.301 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H](C#N)c3cccc(Br)c3)cc2=O)n1 1596286172 KEMSQSXHQUFAGT-OAHLLOKOSA-N 427.262 2.330 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1596831644 OSHZWHZCXKJLGS-WBVHZDCISA-N 444.540 2.148 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1scnc1C 1620020151 VLPXWUBGGRBCMO-SJLPKXTDSA-N 445.593 2.186 30 10 IEEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)c1ccccc1 1622280655 OGIZQKSGKPMWIE-PCCBWWKXSA-N 428.510 2.316 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 1622605862 TVDLVFSQXKNYSG-UHFFFAOYSA-N 425.620 2.171 30 10 IEEE COc1ccc2nc([C@H](C)NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 1625749325 RKGSBZFHBCSKCD-STQMWFEESA-N 441.513 2.266 30 10 IEEE COC(=O)[C@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(O)cc1 1628303331 ZHZPOKGMXIEBCB-IBGZPJMESA-N 444.528 2.491 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)C2=O)cc1 1632329012 ZZSAZHSUVSVOOL-DEOSSOPVSA-N 449.486 2.122 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C1 1639270255 SCDAWYXWFBQMMQ-OAHLLOKOSA-N 430.306 2.398 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 1639969257 YCNQHMCBHGJBFB-LLVKDONJSA-N 429.336 2.432 30 10 IEEE C=CC[S@@](=O)(=NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 1640208612 RHWXOJUKDOIRFJ-PMERELPUSA-N 427.530 2.145 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H](CCCC#N)c3ccccc3)c(CCO)c2=O)n1 1641517220 DLZZISQGWNPLMC-IBGZPJMESA-N 434.500 2.272 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1644344052 PKJBCQIITYMBBU-GOSISDBHSA-N 437.562 2.001 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 1644589139 NSKXVKBDVGDCFX-OAHLLOKOSA-N 430.364 2.192 30 10 IEEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1645292111 JBQGBELAODXLCN-WSXUFZMQSA-N 435.565 2.456 30 10 IEEE C=CCn1c(SC[C@@](O)(C(N)=O)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 1652469420 PABDFJUZAULJOL-AVRDEDQJSA-N 438.509 2.442 30 10 IEEE COC(=O)[C@@H](C[C@@H]1CCCO1)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1654742317 AFTYLPREPLHZII-QFBILLFUSA-N 428.489 2.257 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN1CC(O)(c2cccc(Br)c2)C1 1655189723 HDNKYKUFEVNHHJ-UHFFFAOYSA-N 425.282 2.252 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC(OCc3ccc(Br)cc3)CC2)CC1 1655910631 QADKIBCCKXKGLA-UHFFFAOYSA-N 434.378 2.208 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)c2ccccc2Br)c1 1662485361 XLACVRBPQWXCJW-KRWDZBQOSA-N 439.331 2.377 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)NCC3(O)CCS(=O)(=O)CC3)c2)cc1 1666027941 AFCHFMGPRGDRFH-UHFFFAOYSA-N 443.525 2.393 30 10 IEEE N#Cc1cn(CCNC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(=O)nc1O 1669318881 FDGZQMTVGRHAOL-CQSZACIVSA-N 436.497 2.371 30 10 IEEE COC[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCOC1 1685320341 UVVJQAQUJVOGSP-NVXWUHKLSA-N 429.477 2.079 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1689844415 AZOWZOAOZCJIBO-MRXNPFEDSA-N 425.514 2.281 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1689860925 LEXLJOCTYXRGAI-QFIPXVFZSA-N 435.620 2.197 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)c1 1689868869 SWEIBLJMINXUNF-CBQOVEMMSA-N 439.560 2.345 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689986426 PVELOQFUVHGMPE-IBGZPJMESA-N 437.525 2.024 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1690018139 VJVCJAZNPUHAKG-DHIUTWEWSA-N 433.556 2.237 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCOCC(F)F)CC1 1690139454 NKIKSKASMCJFNM-UHFFFAOYSA-N 447.486 2.201 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186456 QMUOKYLDVBFXOJ-PGRDOPGGSA-N 449.621 2.180 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cnccn1 1690236993 UOOJWIIRKGEMQB-FXAWDEMLSA-N 448.531 2.376 30 10 IEEE C=CCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653507 VDRSRFTUTWSMMJ-CALCHBBNSA-N 440.552 2.351 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690675067 ORTNRZHQOSATBS-ICSRJNTNSA-N 443.548 2.016 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)CC)C1 1690688074 NZKACHPKYGDEFR-UWJYYQICSA-N 434.562 2.291 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC(C)C)C1 1690709817 LHOVOAFADWBDTO-IBGZPJMESA-N 437.548 2.213 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1692248205 SZFLTPXITNFNOJ-PNBGARPFSA-N 440.504 2.174 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1696096985 CEVOQRCXMXZNRC-HOTGVXAUSA-N 434.566 2.240 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNC(=O)C(C)(C)C 1696346429 HAJPKOKTPIMAAB-IBGZPJMESA-N 440.548 2.426 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1 1696498923 WIZHXYMYNGGDSB-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1698132978 AGBUYILAPFIVOS-KKSFZXQISA-N 436.532 2.235 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCNS(C)(=O)=O 1705477353 MZLMBNNUQXXVRB-AEFFLSMTSA-N 433.578 2.432 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705507914 GOQDWCFMIKFMQU-QHCPKHFHSA-N 437.548 2.030 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1705558871 KMMMFFRZUOLHBM-HDICACEKSA-N 443.552 2.009 30 10 IEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705565374 UHENHRJPUQWJAR-SFHVURJKSA-N 439.541 2.157 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1705570584 RSAYFDDPDUXGHH-IBGZPJMESA-N 441.582 2.195 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705629473 JVWJYYQPKXXOSW-UHFFFAOYSA-N 442.527 2.492 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[S@@](=O)C(C)(C)C)CC1 1705635828 MPYOZNRXUQGMAC-WJOKGBTCSA-N 444.561 2.156 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705664923 FUMKOYZNYQICAO-IXDOHACOSA-N 446.577 2.144 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705691343 VQBFSKPUHQVUDJ-LSDHHAIUSA-N 444.374 2.091 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(C)=O)CC1 1705695073 VENGNXBJRLFKFS-FXAWDEMLSA-N 446.596 2.283 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705730770 NRVZCJNLAAYUGC-OXQOHEQNSA-N 443.614 2.122 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC2(CCC2)C1 1705907359 JXPJLJMNKKMGNN-UHFFFAOYSA-N 425.533 2.133 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1705909434 XHVWBBVQYCBMJF-IEBWSBKVSA-N 429.569 2.259 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCCOC(F)F)CC2)c1C#N 1707807999 VHSWJPGYLSKLEC-UHFFFAOYSA-N 434.495 2.415 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)s1 1707844587 BQAFZONHEBVEEK-AWEZNQCLSA-N 436.545 2.276 30 10 IEEE COCCN(C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C#N)CC1 1712421169 HBONBBNMQWMAII-UHFFFAOYSA-N 428.537 2.280 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1722365856 FQXBVTUQDSLTQX-HNNXBMFYSA-N 437.616 2.421 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C)CCOCC1 1722384066 SQOSEFJBNXZBEU-UHFFFAOYSA-N 433.560 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)c2ccccc2)CC1 1722446009 JFSKDEZAURFKMZ-UHFFFAOYSA-N 431.544 2.375 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCOCC1 1722656452 VNQKHEMRYCKGHQ-IBGZPJMESA-N 426.565 2.330 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722736054 SDSQTCDAWFMXMH-UHFFFAOYSA-N 442.589 2.335 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1726738275 AURUVGYWNBBLMQ-NXHAUGRDSA-N 442.907 2.350 30 10 IEEE CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1729300191 INQYAYVCAUHFFM-KRWDZBQOSA-N 426.521 2.380 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1729778423 NGIVAVKZKYXXMY-OAHLLOKOSA-N 435.431 2.357 30 10 IEEE COCCOc1ncccc1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1730889001 YSFJKCLEMHEMRZ-IBGZPJMESA-N 434.500 2.451 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1740616846 IAEGUKUZSQOEMJ-IBGZPJMESA-N 428.558 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1740636318 XTNXDWBIIWLHEP-FPOVZHCZSA-N 430.516 2.055 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CC)s2)CC1 1740700697 FMEVNPADIFZIFF-UHFFFAOYSA-N 442.589 2.054 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1740703233 KOFQZHJSIHZYNO-UHFFFAOYSA-N 445.951 2.466 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740756661 QJKVZERPHODUEX-QKLQHJQFSA-N 441.532 2.255 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740761668 PDXGGBANXQKUOP-UWJYYQICSA-N 441.580 2.435 30 10 IEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 1740945006 XVWVJFVDGGMWTK-UHFFFAOYSA-N 434.338 2.497 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1 1740951635 JZYJWZAMFXODOD-INIZCTEOSA-N 448.980 2.105 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC(F)(F)F)cc1 1740965235 FWKUAMJMQHDRFJ-CYBMUJFWSA-N 447.483 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2COC)C1 1740984293 ZIPAXULQJDUUDU-HXUWFJFHSA-N 425.533 2.377 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OC)C2)CC1 1746433774 HQHBKGXYOWQDKB-SIKLNZKXSA-N 437.592 2.458 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1748734422 GMYTUPRUHXWYBG-LJQANCHMSA-N 447.337 2.490 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1748747218 DWUJLEZRMCYZDQ-UHFFFAOYSA-N 447.543 2.147 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1748812178 RMPMQXXYKMIVAV-GOSISDBHSA-N 445.589 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(O)cc1 1748841127 UQHUZKHVUZVAKK-UHFFFAOYSA-N 434.525 2.065 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1n[nH]c(C)n1 1748875108 JRRAJTAAWPAKIG-UHFFFAOYSA-N 430.516 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(CCOC)CC2)CC1 1749010674 UXEAPBTZZJYKMJ-LJQANCHMSA-N 429.565 2.302 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1749458341 ZTHIMMNUNYKLPK-CQSZACIVSA-N 434.484 2.472 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749467877 KWNGPJUZNLXUDR-OZNQOIHVSA-N 430.553 2.355 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CC1 1750211198 GAYLKRYIFOMTDI-MRXNPFEDSA-N 446.602 2.088 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1750955888 HXOMHNKWNUTLAR-QFIPXVFZSA-N 429.569 2.337 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1760114744 SBLGANZDVWMVES-SJORKVTESA-N 435.532 2.020 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1760117615 REIZQHMCQQKJDH-DOTOQJQBSA-N 431.562 2.259 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760182978 LCXTYGCNFCGIHO-MAUKXSAKSA-N 429.571 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1csc(COC)n1 1760212557 XLPJHXLHWXTTIA-OAQYLSRUSA-N 429.546 2.044 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cccc(Cl)c1 1760243890 UAJUCIUMUQAKJR-JOCHJYFZSA-N 445.951 2.161 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760321275 DNJUJWVRRFNPBT-FXAWDEMLSA-N 439.626 2.318 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1760365690 GCTMWFNMIOWGES-UHFFFAOYSA-N 446.939 2.195 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760368443 BUIDDMNCIHQYGL-INIZCTEOSA-N 426.926 2.338 30 10 IEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760433505 HGNZHJZAUSXTDK-APWZRJJASA-N 433.578 2.369 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1760548382 FKPOWNOZRZHOET-UHFFFAOYSA-N 447.605 2.475 30 10 IEEE Cc1nc(Cc2nnc(N3C[C@@H](C)[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1762279656 SRCIQHMIQIHUOE-GLAOQKLNSA-N 441.561 2.252 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCC[C@@H](C)C2)CCOC1 1762922075 WCQGGBSBWLXDMZ-COPCDDAFSA-N 434.560 2.493 30 10 IEEE CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1(C)C 1767526667 GXFJFKFMVBVHEZ-LJQANCHMSA-N 429.613 2.328 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 1772791265 ACEDBYUYPXYTFD-NTCAYCPXSA-N 440.477 2.454 30 10 IEEE O=C1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccc(F)cc1 1851526572 PTOOKVBKSNIUQV-GFCCVEGCSA-N 435.399 2.045 30 10 IEEE Cn1nc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)cc1C(F)(F)F 1852368043 WNVYMNVHTCMDQR-INIZCTEOSA-N 438.406 2.247 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)Nc4cc(C#N)ccn4)CC3)CC2=O)cc1 1852423607 QUDRMKDSFROBCV-NRFANRHFSA-N 445.523 2.488 30 10 IEEE N#CC1CCN(CCNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 1852536838 SROKCGKJRLULFL-UHFFFAOYSA-N 436.491 2.044 30 10 IEEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 1852569205 YOXVBGGRMPHNMF-INIZCTEOSA-N 430.858 2.174 30 10 IEEE CC(C)COc1ccc(C(N)=NOCCC(=O)N2CCN(C3CCOCC3)CC2)cc1 1853476214 JZRZZZAPERNDDI-UHFFFAOYSA-N 432.565 2.072 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3ccc(Cl)cc3F)C2)C1 1856384619 OFPIMWPFBRLJQF-ZDUSSCGKSA-N 428.851 2.498 30 10 IEEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C2CC3(CCOCC3)C2)C1=O 1857038714 WJKUSVUNLMHOMQ-OAHLLOKOSA-N 431.514 2.062 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2csc3cnccc23)C1)[C@H]1CCN(C)C1=O 1857042915 HJZORZXIEIKRBV-QAPCUYQASA-N 426.542 2.394 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F)c1cccc(O)c1 1862591442 ZEZJNRCVIMFZPA-FQEVSTJZSA-N 426.444 2.442 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CN1C(=O)COc2ccccc2C1=O 1866041399 MUKSXLUKPWFZTI-UHFFFAOYSA-N 433.399 2.098 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 1870143093 WIHOVZJHIZCRCW-ZDUSSCGKSA-N 430.424 2.079 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(C#N)cc1Br 2141247800 KOEUXROAJVHIHO-ZDUSSCGKSA-N 425.283 2.418 30 10 IEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141666087 TWZDSIOBDDKXPC-FVUUGDKNSA-N 447.341 2.392 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1C=CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243416902 OECPZIBPUVGDLW-OAHLLOKOSA-N 428.360 2.269 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2243664654 NIAANOLXORZZPZ-UHFFFAOYSA-N 425.722 2.309 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2247280132 YCYQDLCPGCGHGU-FQEVSTJZSA-N 425.310 2.208 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNC(=O)OC(C)(C)C 2247876321 MYUZXNYEQUCCAL-UHFFFAOYSA-N 440.371 2.097 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255613812 CXTCBFMMDVRTQQ-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618798 JYLFDFZMWUGYIY-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCC1 2255631557 ARZNKQUBNZOKFC-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CCC[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255695101 BCXCTDQVCVYKBP-CQSZACIVSA-N 434.346 2.199 30 10 IEEE Cc1nc(C(=O)N(C)C[C@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2255811960 LHNDHXVKKGCBDI-KRWDZBQOSA-N 446.378 2.400 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2255880132 ZZADNDXHPQSKNO-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE CC(C)N(CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256063778 PICQAGVOHASCQJ-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2259920259 ICVDJOMTVYAGKH-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE Cn1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130386 NUQVVZOORHIJRU-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267141369 JNXHWCZKFWZVBZ-LJQANCHMSA-N 439.365 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2267142435 UFSHYRIYXPZTIL-SOUVJXGZSA-N 446.357 2.084 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267176115 VPEZESGBIGPLMV-LSDHHAIUSA-N 446.357 2.246 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267188208 JFHOOOMSYFLUCV-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@H]12 2267188343 KWFGMMLRXPUSHI-KBPBESRZSA-N 447.316 2.115 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267215942 LEWLYYQWGMBPLU-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267269931 ILOPEBXUTOYWMK-USXIJHARSA-N 445.369 2.310 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267509916 CLNYTPCFHNBADT-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CC)CN(C(=O)OC(C)(C)C)C2)n1 2267525139 ADABSPYCVJLGPX-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267549680 OJOCZJNXWLNERV-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268717103 QSTXODBHIVBGIJ-JKSUJKDBSA-N 447.341 2.201 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701774 MEMMBRPZOXBLCW-QGZVFWFLSA-N 448.369 2.044 30 10 IEEE C#Cc1cccc(N[C@H]2N=CN=C3C=C(OC)C(NC(=O)N4C[C@H]5CCN(C)[C@H]5C4)=C[C@@H]32)c1 2295038596 HJXSISWJKLMCHI-XICBGYMWSA-N 444.539 2.278 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCCNC(=O)OC(C)(C)C)n1C 2315597960 KYKDWKRUKDUHNB-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE COc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCC(N)=O)cc1OC 2329727487 YSRAKGXLNOLDFJ-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE COc1nc(N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788659 SJIGEJWCEAGVSU-QFIPXVFZSA-N 449.357 2.173 30 10 IEEE C#CCCN(CC(=O)O)S(=O)(=O)c1cc(Br)ccc1Br 2361615056 YAEOGAVBLGQKEY-UHFFFAOYSA-N 425.098 2.310 30 10 IEEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)c1c(Br)c(Br)nn1C 2365210488 IOHCJQMAOVYCOW-QMMMGPOBSA-N 427.162 2.032 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c(C)c1 20827711 FSIOMCMSWIXUEY-ODCIPOBUSA-N 443.537 2.263 30 10 IEEE COc1cccc(NC(=O)CCSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c1 20921261 NLIZGRXTPPGENW-UFFVCSGVSA-N 443.537 2.345 30 10 IEEE CCN(Cc1cccc(F)c1)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24803965 BLIMKOFUEDXJEQ-UHFFFAOYSA-N 444.532 2.052 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)c1C 59829829 VWPQQOYXWSLTRR-SSDVNMTOSA-N 439.549 2.476 30 10 IEEE CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccnc1 435411168 KRMLXWUUSKCNMM-HXUWFJFHSA-N 441.557 2.409 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 460809333 MTTRPXHEGZUCSQ-CABCVRRESA-N 425.580 2.446 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3c4ccccc4C[C@H]3O)nnc12 473271043 GHHLCHBJULDYJX-UYAOXDASSA-N 447.520 2.097 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@]4(CCCOC4)C3)CC2)cc1 473557778 XSIPDSIKGMAPSR-JOCHJYFZSA-N 431.558 2.378 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCCN(CCO)C3=O)cc2F)c1 473676144 LWABROMYPPSWDA-IBGZPJMESA-N 426.448 2.381 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@]1(CCO)CCOC1 475814968 QZMIQRMUNIUGRJ-SFHVURJKSA-N 427.295 2.004 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 504112480 XNKSKZKXZQJSNA-GOSISDBHSA-N 431.901 2.297 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 508491059 FGVJIRUCIWPKAP-CQSZACIVSA-N 430.475 2.230 30 10 IEEE CNS(=O)(=O)c1cccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 509745957 MBDGZQSMCMAENR-UHFFFAOYSA-N 429.502 2.373 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)CC1 515876485 BTCZQIYFFMYMFO-UHFFFAOYSA-N 438.557 2.065 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccc(F)c3)N3CCOCC3)cc2C1=O 521377097 GJJCUZYDXRLEOK-NRFANRHFSA-N 437.471 2.411 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCCSC)c2=O)c1 538497178 FXTWUFNBUCQFHX-UHFFFAOYSA-N 445.610 2.493 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCCC1 545366607 QQONVIGYOJDVSQ-UHFFFAOYSA-N 449.957 2.199 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H]2CCCO2)n1 549471807 HJOHFWYUEBEZDF-LJQANCHMSA-N 430.516 2.421 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(F)c1 586858989 OFIPHHHEPJFWKV-UHFFFAOYSA-N 432.858 2.450 30 10 IEEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c(F)c1 609229549 YNOSVRUNFGXPIA-UHFFFAOYSA-N 425.532 2.426 30 10 IEEE N#Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(Br)c1 703967302 XMRUWDCYGMHXHX-UHFFFAOYSA-N 434.271 2.359 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)c1 733254764 TUPLGKREDXNLKT-JOCHJYFZSA-N 426.476 2.159 30 10 IEEE Cc1cnn(Cc2cc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)no2)c1 755554024 XOSKEXQEZMKPDC-CLCOLTQESA-N 442.501 2.293 30 10 IEEE C#CCN(C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)[C@H]1CCS(=O)(=O)C1 766631835 KFZWLZAPFXWEDL-SFHVURJKSA-N 427.570 2.057 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1Cc1ccccc1 771908878 QMEGBVKKYPFRPM-UHFFFAOYSA-N 441.965 2.478 30 10 IEEE N#CC(C(=O)c1cc(F)cc(F)c1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 772280594 XBIJIRGXXKSWRV-KRWDZBQOSA-N 442.443 2.346 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccc(F)c(Cl)c2)sc(=Cc2ccoc2)c1=O 773233319 TXVZTDSOMAYKMR-UHFFFAOYSA-N 432.860 2.328 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 780203849 CULVFUBIWRPGCI-OAQYLSRUSA-N 445.878 2.272 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 781654177 SAKBCHWBBSIJDE-UHFFFAOYSA-N 445.610 2.474 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1C 791985940 ZPRFXTOABWVHOJ-IBGZPJMESA-N 442.541 2.403 30 10 IEEE C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1nnc(-c2ccc(F)cc2)o1 795324830 TUYBUVISTKOPLV-LBPRGKRZSA-N 430.417 2.330 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cncn1C 796084019 ILEVPLWJWFHSCI-SYYKKAFVSA-N 449.511 2.330 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800780189 LTCOSWWFEOVVCO-QGZVFWFLSA-N 433.578 2.179 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCS(=O)(=O)C(C)(C)C1 802580429 QAOOBTRDBUXKGT-UHFFFAOYSA-N 447.561 2.294 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)cc(C(=O)OCC)c2)n1 813698791 CJLOQUVGRLDBFR-UHFFFAOYSA-N 439.921 2.184 30 10 IEEE N#Cc1cscc1C(=O)OCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 814613287 JAQPMKGKUXBEAC-UUASQNMZSA-N 442.478 2.024 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cc1 916894164 RJMCFPFXTMBJDM-LJQANCHMSA-N 435.546 2.254 30 10 IEEE CCN1CCN(CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C(=O)C1=O 917032985 YYJALRSAKNBZHS-YWWNBQKISA-N 440.569 2.478 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 917095929 VEVFDVGJMZNVQD-HXUWFJFHSA-N 443.525 2.246 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(C)C 925932885 QVFBKNHWDAHPPI-UWJYYQICSA-N 447.513 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(I)n2)[C@H](C#N)C1 1126877605 NQCSSYUNXCAIFD-SECBINFHSA-N 448.286 2.333 30 10 IEEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(Cl)c1OCC(C)C 1134645487 MRGYORLYLTUOTM-IFXJQAMLSA-N 426.922 2.394 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C1(c3ccc(C#N)cc3)CCCC1)CCS2(=O)=O 1134654982 TWPNACDYOBOACV-IMYXXEESSA-N 444.553 2.385 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)c2[nH]c3ccccc3c2C#N)ccc1OC 1139731872 DBQUYFDSIGDACV-UHFFFAOYSA-N 428.470 2.225 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1148495837 YVHXXNCJMCXBFC-IBGZPJMESA-N 425.482 2.252 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 1151586054 OKUKYVQNZNHWON-OTWHNJEPSA-N 428.533 2.324 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)cc2)nc1 1153327765 YCHOMMCXDLMKNR-NRFANRHFSA-N 435.528 2.272 30 10 IEEE N#Cc1cncc(CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)c1 1156107874 DQEBIACZIKUVAD-UHFFFAOYSA-N 430.205 2.329 30 10 IEEE C[S@@](=O)(=NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 1159163847 CEHIHPMICUPEJL-SANMLTNESA-N 425.919 2.452 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C1CCOCC1 1167413741 JIKDQTHCPNTCSV-GOSISDBHSA-N 444.509 2.360 30 10 IEEE COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC(=O)OC 1191068724 DMOAJCPLQNTOHL-UHFFFAOYSA-N 430.480 2.224 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1 1233850572 CHCVFGANYQWDRA-GLQYFDAESA-N 428.411 2.196 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1286505418 ZIDNABXZKHREFB-INIZCTEOSA-N 428.518 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCS(C)(=O)=O 1286553775 GASGPXBNZVKOOQ-SQNIBIBYSA-N 426.583 2.372 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286653262 TUPZUUFAZRSRJP-RTBURBONSA-N 430.597 2.416 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1286713971 KFLKFTOGEZAWQN-LAUBAEHRSA-N 434.562 2.207 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286782545 YGRRAVZJJLYJCJ-HOTGVXAUSA-N 427.509 2.074 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccccc3CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793056 PWUJDQFYLXQACZ-XMMPIXPASA-N 439.560 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)C1 1286808136 UVJUTTJZUVLQIZ-RBUKOAKNSA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](Cc2ccccc2)C1 1286820329 JLAMWGMPFPKCRG-WOJBJXKFSA-N 430.574 2.452 30 10 IEEE Cc1cnn(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)c1 1290286353 GDRPVRCRAVFWHO-SFHVURJKSA-N 433.582 2.152 30 10 IEEE Cn1cnnc1[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1290824824 ZLLIHOLPXAVKOH-CYBMUJFWSA-N 429.322 2.292 30 10 IEEE C[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1291051177 AXANJBIDRPOXOP-IRXDYDNUSA-N 446.577 2.245 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)c1 1299930178 KBDZLPOJFIJOGE-KDOFPFPSSA-N 426.521 2.473 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCOCC1 1300267763 JWAMLRYFWPJVTB-ZWKOTPCHSA-N 442.589 2.107 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCC2)C1 1300391510 PIBONHIMLOUEPI-UHFFFAOYSA-N 443.573 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nnc(CC)s1 1300586419 BIVNLEYRCHBXLC-UHFFFAOYSA-N 430.541 2.442 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301248925 MFUKZVYYIKCRKU-UHFFFAOYSA-N 437.479 2.320 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1301509209 CHDUGTZAFXSCGB-PMACEKPBSA-N 441.580 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCO1 1301596013 FAYVGACKUNZORD-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)C[C@H]1OC 1302410660 RDJPGQJPLUGEBK-NJYVYQBISA-N 441.532 2.252 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1302845503 ONTVCSVOEKGYOL-DNVCBOLYSA-N 429.546 2.255 30 10 IEEE CC(C)CCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1303107076 FABWWVFOOMEPIY-MRXNPFEDSA-N 430.509 2.187 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCOC2)C1 1303937801 UOYUKSADRJZGHW-PGRDOPGGSA-N 430.553 2.087 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)cc2n1 1304007164 RNPNHCBTIGHRGU-IPMKNSEASA-N 444.557 2.271 30 10 IEEE C#CCN(C(=O)NCC(C)(C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1313270581 HQIBVVPJCHWUHO-UHFFFAOYSA-N 429.583 2.102 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCOC1 1314080329 CWWGNIHZPNHEMY-DHIUTWEWSA-N 441.532 2.244 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1358904878 NKHBMCGLTSCGOE-VQIMIIECSA-N 449.552 2.409 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC(=O)N1CCOCC1 1358952962 FJILQFNCXOTCTG-UHFFFAOYSA-N 439.560 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccnc(SC)c2)CC1 1359043502 WFSPRMBBZICJRT-UHFFFAOYSA-N 449.584 2.415 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1435761675 IIXZZHGEWFSSFW-KRWDZBQOSA-N 428.489 2.328 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCCC1 1456117106 YBKYLAGYCHFPPF-KXBFYZLASA-N 435.546 2.101 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 1467831980 IQZROOKYQCZXCH-MCIONIFRSA-N 437.566 2.487 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CC1 1471521515 JNRBSZMFJLBRQI-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE C#CCOCCN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1472438081 IOLCNHXYKHFLIO-GOSISDBHSA-N 432.521 2.464 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1472893495 OEQVTSCTEALUKF-CVEARBPZSA-N 434.562 2.473 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCc2nccc(C(F)(F)F)n2)c1 1475775759 AQDFBSOFJMYJKV-UHFFFAOYSA-N 428.436 2.274 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)n[nH]1 1492687474 HJRYYSHRMNDTPV-UHFFFAOYSA-N 447.547 2.181 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C 1502251266 IECQQSRXYSTECI-SJORKVTESA-N 442.589 2.313 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCOC1 1502636529 YRBLMUVOOUGTPD-NZQKXSOJSA-N 441.532 2.244 30 10 IEEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCCO)c2ccccc2c1=O 1503685817 HUKWYPNHHMVTTB-QFIPXVFZSA-N 439.495 2.187 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1505075340 XWBSUXYQCSYLIJ-DSZJKHHPSA-N 430.553 2.047 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCCS(C)(=O)=O 1507708062 GQAJPMZIJPGSHW-UHFFFAOYSA-N 427.530 2.014 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507801204 RULRMZVGNMHYBY-SCTDSRPQSA-N 431.562 2.335 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507868965 KFEGTCHFEVNKRT-MRXNPFEDSA-N 434.953 2.450 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507888925 KXQDGKUAVWHNFG-OAQYLSRUSA-N 437.592 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508078057 SPWLERRBBGYFIV-CJNGLKHVSA-N 434.338 2.217 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508154662 ZTLOXDMXHBZCRA-UHFFFAOYSA-N 438.561 2.013 30 10 IEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1508447802 LBAIZLSYNRHKMO-HOTGVXAUSA-N 426.521 2.426 30 10 IEEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1513999706 GEHVKEFIAHSTSR-QFBILLFUSA-N 446.577 2.245 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1515681709 YFLWETGFRSIHDA-WMZHIEFXSA-N 438.532 2.212 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1517329329 JCWVYCHFVARFAH-UHFFFAOYSA-N 434.909 2.097 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCc1ccn(C)n1 1519130061 GEUTVLOLJYAWBJ-UHFFFAOYSA-N 443.515 2.236 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1521062401 CJFTUNKCSQOBFU-JXFKEZNVSA-N 435.454 2.138 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCOCC(F)F)c1 1521076324 WIIXUPOXANXAMC-NRFANRHFSA-N 430.459 2.347 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1521114493 FDSOAUHIJLCGIL-RTBURBONSA-N 440.523 2.395 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(O)CC(OCC)C2)c1 1539039792 IBCVPQDCGANXBZ-UHFFFAOYSA-N 448.527 2.259 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c[nH]nc3c2)CC1 1539874264 KZYGNJWIEYLRQU-OAHLLOKOSA-N 443.577 2.410 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccco1 1540071581 GMAQZAMLMRPZKZ-UHFFFAOYSA-N 436.520 2.097 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C)[C@H](OC)C1 1540875781 XWFMSMLPYFLBPU-QFBILLFUSA-N 429.521 2.029 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CS(C)(=O)=O)CC1 1541107216 GWSXJPRUIKHDFO-CQSZACIVSA-N 432.506 2.274 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)c1 1542686197 JBWYJDLLMMYVHQ-NHCUHLMSSA-N 441.532 2.480 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCCc2ccccc2)n1 1543006179 HRVMPAKVOJEZEW-GOSISDBHSA-N 434.548 2.237 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1544788101 YTPFFBCVTQVAPW-UHFFFAOYSA-N 425.407 2.473 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1544879828 SOIXSCZGMIUNNP-NRASPWIFSA-N 444.536 2.050 30 10 IEEE CCCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1547108751 ZYEGCFJQPMWSTJ-VZCXRCSSSA-N 438.488 2.437 30 10 IEEE CCCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C#N)C1 1547247796 ICDYVBYJFJHBDZ-APWZRJJASA-N 442.520 2.072 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1554151677 RGTCQUCXKVQNKL-RTBURBONSA-N 429.546 2.462 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1554207580 SRXDTECSVMDGFB-UHFFFAOYSA-N 442.474 2.472 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)C1 1554402917 NKZBQCNHZNBLAX-FQEVSTJZSA-N 425.880 2.469 30 10 IEEE C[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc(OCC(=O)NC2CC2)cc1 1559699544 XWWGCMWBDHGJNF-QGZVFWFLSA-N 431.492 2.294 30 10 IEEE COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n(C)c1C 1583407400 WIMLTUVUBWBHJW-CQSZACIVSA-N 428.876 2.315 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3O)CC1 1585533924 GDEZFHZKTRQQLV-MOPGFXCFSA-N 444.333 2.495 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1587864996 FKDXFTVSZFWOHE-HXUWFJFHSA-N 434.588 2.380 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1588039760 DVYMECOSNQFMRF-QGZVFWFLSA-N 426.498 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(-n2cncn2)nc1 1588144231 XLVPKWJVZKYUHD-UHFFFAOYSA-N 444.449 2.244 30 10 IEEE C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 1595340601 LWKADLCTCWSTOM-OAHLLOKOSA-N 429.498 2.265 30 10 IEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595366778 NTCVBKQSHADESP-QGZVFWFLSA-N 426.521 2.483 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1596813248 GNKKLEVYDUPUHU-INIZCTEOSA-N 434.548 2.272 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1606957940 JZJCTVZAKDBZBP-SPEDKVCISA-N 430.553 2.333 30 10 IEEE CCc1nnc(N2CCc3c(F)cc(F)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613988419 WHDITJFQPUDPTH-FMQUCBEESA-N 428.443 2.208 30 10 IEEE N#Cc1cc2c(n(CC(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)c1=O)CCC2 1615015440 DPJPERFKXNZKRZ-UHFFFAOYSA-N 428.895 2.346 30 10 IEEE C#Cc1cccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 1615451323 RCLNBZRUCXYAEM-UHFFFAOYSA-N 449.935 2.430 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC1CCC1)CC1CC1 1618839887 HVPXYXJDKGPVGA-UHFFFAOYSA-N 428.562 2.382 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCCCCO)cc1 1620352256 NZWOWDJWYBJTHH-IBGZPJMESA-N 438.532 2.092 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1624794000 UGQICBKEMOICBA-JOCHJYFZSA-N 432.496 2.372 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1626781943 YRIPJWNREWVXQW-KRWDZBQOSA-N 433.557 2.158 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1629139679 PDTBQNBHMZCOMO-UHFFFAOYSA-N 426.408 2.076 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1632132532 JCNNZZHICQJARD-OAHLLOKOSA-N 431.942 2.127 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 1634240703 RWVCUVZGERFOPM-UHFFFAOYSA-N 446.555 2.485 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 1639969095 SAQSUOVXFSVLNZ-UHFFFAOYSA-N 435.329 2.075 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)s1 1640270593 GEVJETQOEJFWNY-AAEUAGOBSA-N 426.482 2.371 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3C[C@@H](C)O[C@@H]3C)nnc12 1641647941 LMWVVQUQFWXSRR-KFWWJZLASA-N 427.530 2.252 30 10 IEEE N#C[C@@]12CN(CCC(=O)Nc3ccccc3C(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1644636901 QNFCITOXFMPICE-MBSDFSHPSA-N 437.521 2.116 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1644785420 LSYFDQKEFLNERB-PMACEKPBSA-N 435.952 2.243 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H](c1ccccc1)c1nc[nH]n1 1658924036 AIPGBYHECDKSCJ-GMAHTHKFSA-N 447.518 2.374 30 10 IEEE COc1ccc(CNC(=O)CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1682384427 FDZVSRZWPBCKPT-UHFFFAOYSA-N 435.528 2.147 30 10 IEEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689879744 GDODSUWUROKWRK-HXUWFJFHSA-N 448.571 2.193 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1689947354 FKPNGMPIZCDDJG-XMSQKQJNSA-N 445.589 2.135 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1689993804 LUCJOSVSYFQWGI-MRXNPFEDSA-N 447.611 2.370 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1690077205 KTLHMLCLCLMTBH-IAGOWNOFSA-N 432.546 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690098639 PNUHGVJKFNFMBM-RTBURBONSA-N 426.565 2.314 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1690207649 HIPMGALLFYSICQ-OAQYLSRUSA-N 449.527 2.175 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(CCS(C)(=O)=O)C1CC1 1690249746 ABGKAFFCLTYTGJ-GHTZIAJQSA-N 445.589 2.259 30 10 IEEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690507049 BWDVLJIUOZEARZ-LJQANCHMSA-N 430.597 2.271 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1690515705 RSMIIUZOTRZIIK-HNNXBMFYSA-N 431.566 2.259 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690661824 IJVSSGOISSGIRM-GOSISDBHSA-N 425.533 2.387 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCCc2ccccc2)C1 1690694109 KJOLORIILSSVTP-OAQYLSRUSA-N 432.528 2.480 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1692580072 CFDXSABOPHKJMZ-VXKWHMMOSA-N 448.543 2.067 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693940810 GRSXBLRPFKFOQS-GEQKSPFYSA-N 439.564 2.172 30 10 IEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1695045044 FZYFMALYXGFELZ-HTAPYJJXSA-N 427.505 2.279 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705509902 PQCRVLULSTZAPF-JOCHJYFZSA-N 443.573 2.115 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCN(C(C)C)CC1 1705556499 BQNYOEVQLXOJGU-UHFFFAOYSA-N 427.549 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCO[C@@H]1C 1705575064 WXMOHVXJMQUSHO-FOIQADDNSA-N 429.318 2.320 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)CCCO2)CC1 1705636225 BVIISIHKGPNBJR-QHCPKHFHSA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CC1 1705637315 RJYDODAGQAHZOQ-UHFFFAOYSA-N 426.528 2.081 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](COC)C1 1705730559 LJSJSBJAUHZMCP-KRWDZBQOSA-N 434.562 2.414 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1705844303 ZNCGSTRRIBJRFP-JKSUJKDBSA-N 448.568 2.123 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1705862502 MNXOOZJVQWYGPV-UHFFFAOYSA-N 434.537 2.427 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C 1705884610 SXRBWKQVWZBKQS-RHSMWYFYSA-N 437.566 2.228 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCSC3(CCOCC3)C2)nnc1C(C)(C)C 1705939188 TXLKLDIZRKIVBM-UHFFFAOYSA-N 428.624 2.279 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1709462613 JFXSWMQSODZLFB-OAHLLOKOSA-N 441.536 2.298 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)c1 1711698684 LPIJKGUEEIZFPX-LEWJYISDSA-N 431.468 2.210 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)c1nc(C)cs1 1712648508 VWGXMVVOUPBOOF-XBVQOTNRSA-N 432.550 2.300 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1722274854 AHIXPFRTNNAXAR-QZTJIDSGSA-N 444.605 2.385 30 10 IEEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722324855 AAHUHUZSXWTOST-KRWDZBQOSA-N 426.908 2.485 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1c(C)nn(C)c1C 1722426603 KTGYPZYQRRCKLQ-OAQYLSRUSA-N 436.516 2.275 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nnc(CC)s2)CC1 1722442285 RFZIUDYVRMGKFG-UHFFFAOYSA-N 441.536 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN(C)C2CCCCC2)CC1 1722451144 YEFZKNZWQGGGHK-UHFFFAOYSA-N 430.597 2.045 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722536540 PACJULGCYHNLME-KRWDZBQOSA-N 429.521 2.125 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1722625639 ZCGWQVWFIZMLRR-JOCHJYFZSA-N 437.479 2.227 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)COCCO2)C1 1722714339 KKNGSDUMZJSOMF-GHTZIAJQSA-N 429.477 2.440 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCCS1(=O)=O 1722863221 IRWXJIRJPWKEMD-SFHVURJKSA-N 442.589 2.379 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N(C)C)CCOCC2)CCOC1 1722864542 TUQLVDNVGVWPIX-GCJKJVERSA-N 434.585 2.025 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)Cc2ccon2)n1CCN/C(O)=C1\N=CC=CC1=O 1724599686 UMSSDDHORYBXLH-QURGRASLSA-N 447.499 2.328 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1729397675 GMJXVXJNYSTNKV-GOSISDBHSA-N 430.578 2.365 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1729416826 ZBRSIKCTQVYTOM-IBGZPJMESA-N 436.541 2.318 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C[C@@H]1C 1729791283 GGHCDDVPDNXDTD-ZDUSSCGKSA-N 438.517 2.302 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1730533881 VFKARFGCQVOXKG-UHFFFAOYSA-N 434.504 2.181 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)OC)c1 1740562772 QBRNUQCONVRMGT-MRXNPFEDSA-N 447.499 2.017 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1740622371 BXWVWYKRUXFRLS-KRWDZBQOSA-N 428.562 2.188 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1740730195 UUMYFUWOGBWKFA-XMMPIXPASA-N 447.543 2.316 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740774350 QZANLGBKCJEEKH-HZPDHXFCSA-N 441.598 2.496 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740868029 BWAUWABGYBYNDP-CQSZACIVSA-N 437.570 2.104 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)COCC3)C1 1740970395 KKGFWZKEEVLDLN-HXUWFJFHSA-N 425.533 2.319 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCC2)C1 1740979601 ASYUCBAHACKKSP-SFHVURJKSA-N 431.562 2.013 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1741128851 DOFQBTFWTHVQCI-XMSQKQJNSA-N 448.575 2.279 30 10 IEEE CC(C)C[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741419255 HAERPFGAIUCINF-MSOLQXFVSA-N 426.521 2.379 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1741606771 CGLQKWJRJPIPGD-HXUWFJFHSA-N 434.541 2.131 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1741800283 RKXCMDHCTWTKIT-CVEARBPZSA-N 430.509 2.187 30 10 IEEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1748067975 QHDMRALGOYMXKK-SNVBAGLBSA-N 440.817 2.456 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1748734170 AIWIAENSUDPGRB-OAHLLOKOSA-N 428.489 2.384 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CCC 1748774050 QCYPPJXEOVGFBS-SFHVURJKSA-N 443.621 2.490 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1748819122 LBJZRHJKDASYRH-INIZCTEOSA-N 446.479 2.415 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1 1749584133 HETLNRSEMHSRKB-UHFFFAOYSA-N 432.528 2.434 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749664124 GQGYFYCGQRVTJT-OAHLLOKOSA-N 430.940 2.396 30 10 IEEE CC(C)(C)c1nnc(N2CCc3ccc(O)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750443436 AQRBKAAVTGIBFB-FMQUCBEESA-N 436.516 2.370 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@]2(CCOC2)O1 1752321747 RIMKESISPFPYIC-JTSKRJEESA-N 443.573 2.317 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760180443 FQOBTOKRQZOOGB-NHCUHLMSSA-N 429.590 2.296 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCN(C)C1 1760216237 GJHFBUZJOXROAK-DEOSSOPVSA-N 430.512 2.130 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760235947 BUABNSAPASHYSN-SFHVURJKSA-N 436.482 2.377 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1760373914 DXCJWAPIGQUZNS-OAHLLOKOSA-N 439.944 2.398 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1760427520 CDGHXIDEIMOZNU-LJQANCHMSA-N 431.562 2.488 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)CCS(C)(=O)=O 1760532283 QTFLIIBUSMLAQS-UHFFFAOYSA-N 427.530 2.434 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 1760542988 PGTJKJQOBFXVRL-UXHICEINSA-N 425.533 2.222 30 10 IEEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1768012369 BGYJGHZZURYSHE-SIKLNZKXSA-N 437.592 2.456 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1768114730 XWGHMOPRORCVFP-UXHICEINSA-N 439.564 2.436 30 10 IEEE CO[C@@]1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1768208671 DWMJVPZSIGABDF-FCHUYYIVSA-N 442.495 2.395 30 10 IEEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1769701076 WXGYTVPKSUVRSO-OAQYLSRUSA-N 430.484 2.084 30 10 IEEE O=C(O)COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)cc1 1772718928 WQBZGBPAZKXPAA-MRXNPFEDSA-N 444.444 2.239 30 10 IEEE CCCn1c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1849555315 HSKARIPTWSOFAT-UHFFFAOYSA-N 449.511 2.004 30 10 IEEE COc1ccccc1S(=O)(=O)C[C@H](COc1ccc(C#N)cc1)OCC1OCCO1 1851324403 YUWKBXSLIFGASA-SFHVURJKSA-N 433.482 2.178 30 10 IEEE N#Cc1ccc(F)c(C(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)c1F 1852314778 AAVUOCBAKBDNQK-HNNXBMFYSA-N 448.447 2.458 30 10 IEEE N#CCCN1CCN(C(=O)CN(c2ccc(F)cc2F)S(=O)(=O)c2ccccc2)CC1 1853079262 NRNUTGIWQGNBLY-UHFFFAOYSA-N 448.495 2.218 30 10 IEEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2)CC1 1855906361 OFLMHTJUWSGDMZ-DLBZAZTESA-N 428.920 2.304 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)cc1 1862605316 QQWVGLOQFQIONR-NRFANRHFSA-N 436.464 2.481 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862681544 CICWFHOQWFDXRV-FQEVSTJZSA-N 440.427 2.311 30 10 IEEE CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931903 LQWLPJCJEDMILU-IBGZPJMESA-N 429.542 2.268 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(NC(C)=O)cc2)cc2c(NCCOCCO)ncnc21 1873631879 KICDKFITGHVIGT-UHFFFAOYSA-N 438.488 2.249 30 10 IEEE C=CCC1(N[C@](CF)(CNC(=O)OC(C)(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 1904620085 XVNFFFQQFMNONR-HXUWFJFHSA-N 431.505 2.459 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@]1(C)COCCN(C(=O)OC(C)(C)C)C1 2022238063 LKRFQXAQKXTMRC-OAHLLOKOSA-N 427.361 2.088 30 10 IEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)CC1 2082030502 GTFOOKIGFXSJGS-UHFFFAOYSA-N 436.358 2.396 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128727482 FKBRETGIUSTLSC-QZTJIDSGSA-N 446.353 2.284 30 10 IEEE CN(C)CCN(CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(=O)OC(C)(C)C 2141664992 IFSJXBCSBIGFKO-UHFFFAOYSA-N 448.373 2.118 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)C1 2247536775 YDXDZIFPYHTTNZ-GWMLXNDSSA-N 431.455 2.351 30 10 IEEE C#CC1CC(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)(C(=O)O)C1 2247572755 ZZZBQELFADVKSV-DDQSDDPUSA-N 430.501 2.468 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2247836050 VWFFZEPFMFSTKP-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE CC1(C)OB(c2ccnc(NCCn3cnc(I)c3)c2)OC1(C)C 2254805162 JHXUDPDISYPKQD-UHFFFAOYSA-N 440.094 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)CO1 2255525262 AZCHFJHMAPJIML-ZDUSSCGKSA-N 436.289 2.406 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255533801 YHBYVMZFUYFNFA-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)NC1(CCCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255633266 YIESVKQEBFKHLV-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)n1 2255635937 NLTGVASFHCZRMU-CQSZACIVSA-N 436.362 2.187 30 10 IEEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255653030 CTJUCTLHZIDVJW-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCONC(=O)OC(C)(C)C)n1 2255654288 VCWYEEXCKGYMPO-UHFFFAOYSA-N 435.330 2.265 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@@H](OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255660460 HUNPUYDXLSQMSE-GOSISDBHSA-N 425.338 2.459 30 10 IEEE C[C@@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)N(C)C(=O)OC(C)(C)C 2255821353 CHYWISVYFIUFDZ-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H]1CCOC1 2255834253 LUULGOAUNOZXRN-SFHVURJKSA-N 425.338 2.459 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843141 CCFBFGRLPKQKHW-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE C=C(CN(C)C(=O)C1CN(C2CN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2256880471 KYVHPDOECMWZLU-UHFFFAOYSA-N 435.374 2.184 30 10 IEEE Cn1ncc(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2267012707 YTEVYJIMCFGDJB-OALUTQOASA-N 436.365 2.066 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C 2267152698 SJBBIKSNTCARCH-HUUCEWRRSA-N 448.373 2.155 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267183134 LLBVYSQKIFBMIQ-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2267185286 SOYFWBGADRYNIN-GASCZTMLSA-N 447.316 2.354 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267272212 XRVDIPCRZIPWDR-LJQANCHMSA-N 436.365 2.370 30 10 IEEE CCn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267491770 INRVNEHJZFFZPF-GASCZTMLSA-N 448.373 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267584720 KSGBRFZLDIEDAC-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267609161 MFGZSUCUMZSCQA-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2268975067 LOYIETHMPJYRGH-UHFFFAOYSA-N 438.333 2.302 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1C 2296933614 XIBWHNFFLBYBGX-QGZVFWFLSA-N 431.514 2.463 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1cccs1 2297741875 WFIMTYYKNZWBCM-SFHVURJKSA-N 443.481 2.410 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)c3ccc(F)cc3)n2N)cc1 20913270 OQFRDRMUMHBEMN-LSHDLFTRSA-N 428.449 2.339 30 10 IEEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(OC)ccc3OC)n[nH]2)cn1 59312010 XBWKKAXBYCCTRT-UFWORHAWSA-N 430.494 2.215 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2cccc(N3CCOCC3)n2)cc1Br 433890810 OJAIMYJDIPWUKD-UHFFFAOYSA-N 437.319 2.031 30 10 IEEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 460693109 WDIKVVZBDGMULV-OAQYLSRUSA-N 440.548 2.381 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 467828965 RMKSNBXCGIRGQG-OXQOHEQNSA-N 427.526 2.070 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@]3(CCCOC3)C2)CC1 477047785 GMFBXSCLRSBSLS-QHCPKHFHSA-N 439.516 2.347 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 508825762 LJYXQYFIJALMRD-MJGOQNOKSA-N 431.562 2.099 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1 512710726 YNXDZRFBCQAHDH-UHFFFAOYSA-N 446.345 2.428 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 513370531 HHTRTSNSYFRLHZ-QAPCUYQASA-N 431.489 2.434 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(F)cc2F)c1=O 532800329 NSMLKRMIZUKLIM-UHFFFAOYSA-N 440.475 2.266 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1Cl 540518723 HFEQBZXMAGUBKQ-UHFFFAOYSA-N 439.946 2.215 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1ncc(Br)cc1Br 545449376 UGKJSSKOGJFMCB-UHFFFAOYSA-N 446.143 2.295 30 10 IEEE COc1cc(CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)ccc1C#N 581755559 RZSQJSSSOFCOGE-INIZCTEOSA-N 429.502 2.322 30 10 IEEE CCC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C(=O)N1CCc2sccc2C1 586863425 MNVRKJZYDUPYHN-GOSISDBHSA-N 442.516 2.245 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(OC)c(OC)cc3Cl)N2N1 588225425 FCCSOJQMVBORDX-IBGZPJMESA-N 442.928 2.419 30 10 IEEE CCOc1cc(/C=N\Nc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)ccc1O 606630846 RFTHLJXHTAGTSG-CFRMEGHHSA-N 448.483 2.032 30 10 IEEE CC(C)(C)OCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726402464 RHCGVTUUMJZARU-INIZCTEOSA-N 432.546 2.201 30 10 IEEE COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 730137138 DPWDZLXZUCYNHI-MAUKXSAKSA-N 438.569 2.416 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccco1 730137694 HJASWPBMKKTOHT-SFHVURJKSA-N 430.530 2.488 30 10 IEEE CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCN/C(O)=C1\N=CC=CC1=O 741139220 IBXYZHBNXSYBCN-VHEBQXMUSA-N 438.406 2.409 30 10 IEEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCN1C1CC1 741565193 SEAJHTCUMCVAFZ-HKUYNNGSSA-N 427.574 2.137 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(OCC)c1 743731890 BUHRJMAVQPOEEB-UHFFFAOYSA-N 437.521 2.310 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)ccc1Br 746373182 ZENCMADWPKORJH-HNNXBMFYSA-N 430.327 2.186 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CC(=O)NC1CCCC1 746694289 VCLPWGBUKYRBMK-SFHVURJKSA-N 439.541 2.217 30 10 IEEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 746922525 FHEKJEFYGILAEN-CYBMUJFWSA-N 425.445 2.058 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCC(CN(C)C)CC1 750446780 PXYJKALCAWGGRF-TVPLGVNVSA-N 434.606 2.376 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCCCC1 760387584 CVYVDSDAASCGTG-UHFFFAOYSA-N 439.559 2.005 30 10 IEEE COCCN(CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)OC(C)(C)C 764746345 LIUOBCNSGVKJAB-UHFFFAOYSA-N 429.481 2.144 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCCNC(=O)C(F)(F)F 774898071 VWYXWDXJAPOABW-UHFFFAOYSA-N 431.314 2.382 30 10 IEEE COc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cnc2c1cnn2C 783911664 MHSGDORYFLKLCO-ULJHMMPZSA-N 442.501 2.042 30 10 IEEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)c1 784126090 UEGGWYCDQJJSFZ-QGZVFWFLSA-N 430.509 2.416 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(OC)ccc2Br)n1 788694557 QSYHXVIYZFZJTI-UHFFFAOYSA-N 442.335 2.125 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)c1 790286607 BCHFVHXARCWEKQ-PMACEKPBSA-N 426.494 2.117 30 10 IEEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(NCc2nc(C#N)cs2)c1 810157344 AKDZHPUMIVKYDN-UHFFFAOYSA-N 437.547 2.430 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1C#N 813688428 UFFJLEITFWNBFD-UHFFFAOYSA-N 425.558 2.272 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916476984 WGRXPXAWTKKJIZ-UHFFFAOYSA-N 449.492 2.157 30 10 IEEE Cc1cc(F)ccc1NC(=O)CSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1083956784 HSMLLQOKWCKKAJ-UHFFFAOYSA-N 431.501 2.394 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N[C@@H](C#N)c2cccc(OC)c2OC)cs1)C(N)=O 1127853262 FVNPTHYRDGCFOY-DZGCQCFKSA-N 434.543 2.440 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@](C)(C(=O)OC)c3cccc([N+](=O)[O-])c3)cc2C1=O 1132137138 FAZMIYDBISGNQT-JOCHJYFZSA-N 437.408 2.195 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)c2)C[C@@H](C)O1 1132643470 QVJRSXJOAOEVDK-VWKPWSFCSA-N 439.537 2.253 30 10 IEEE C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1136689238 AVEVSROWFNUPEC-UWJYYQICSA-N 441.576 2.145 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)c1C 1148989093 VCYWYBVXUKSQJC-UHFFFAOYSA-N 438.488 2.462 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1151443476 GNIGKMRMGBQTLT-GXCKGYSISA-N 449.548 2.248 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OCc1ccccc1 1153333434 QJBXZSAWRUXOLE-JKSUJKDBSA-N 426.897 2.243 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1185623704 AFOAJTHTZRKXBS-GOSISDBHSA-N 435.546 2.268 30 10 IEEE C#CCNS(=O)(=O)N1CCN(c2nc(C)nc3scc(-c4ccccc4)c23)CC1 1187437974 ODMFDRJKIRVAOP-UHFFFAOYSA-N 427.555 2.256 30 10 IEEE CCOC(=O)C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1207456629 IDNLGFCKZDLXFK-HUUCEWRRSA-N 426.395 2.237 30 10 IEEE C#CC[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 1224388955 QFBLOYISHKWRMK-KRWDZBQOSA-N 430.486 2.279 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 1251291788 UEFUUQIVKMFELF-IBGZPJMESA-N 445.516 2.490 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1NC(=O)CC1(C)C 1286468743 HZJRPNZKHGZFMB-HXUWFJFHSA-N 434.544 2.282 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286477385 ZHXSPFSYEMUSAK-BGYRXZFFSA-N 436.608 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=C)Br)CC1 1286490890 WCAJVVVBSJLENE-INIZCTEOSA-N 436.354 2.394 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286602403 YTPFUCAIFAAMMY-GOSISDBHSA-N 440.548 2.407 30 10 IEEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1286689281 LFOVYYRSYKSKIS-UHFFFAOYSA-N 433.578 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1286819198 DCDUVVQQTFEEQT-UHFFFAOYSA-N 449.552 2.231 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)OC 1291410656 ADFNCZOVRWJNRO-PXNSSMCTSA-N 440.548 2.173 30 10 IEEE CCc1nnc(N2CC[C@@H](COc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1292969174 QZJWPSMDHMRUCX-BFQBXFRASA-N 436.516 2.272 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2nncn2CC)CCOC1 1296535211 CXALBHIOPGQOIP-JOCHJYFZSA-N 436.520 2.098 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC[C@H]2CCOC2)CCOC1 1296584647 KIMPFRFARMLKOI-KNQAVFIVSA-N 433.553 2.113 30 10 IEEE C=CC1(CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CCCCC1 1297662602 JPVRMEKQTPEDDR-IBGZPJMESA-N 427.593 2.476 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)C(F)(F)F 1299602215 VUWADDVHWVUKSK-CJNGLKHVSA-N 436.438 2.451 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1c(CC)nn(C)c1OC 1300537781 JYHQHUPSYBNXJG-NRFANRHFSA-N 446.511 2.216 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1300672271 XHFNCVYKCURIOW-ZWKOTPCHSA-N 433.553 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCOCc2ccc(OC)cc2)CC1 1300695874 NKYOZRWNROXCAH-UHFFFAOYSA-N 434.544 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2([S@@](C)=O)CCC2)CC1 1300718388 MIZKNJBOUOEGQO-WJOKGBTCSA-N 443.573 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCCCC2)CC1 1300725055 FLJCZHSCAZFXSZ-OAQYLSRUSA-N 442.608 2.014 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1301185404 CHYXPHILKQZDFT-HNNXBMFYSA-N 442.486 2.480 30 10 IEEE C=CCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301236202 BECLYSQGHYGZGD-JOCHJYFZSA-N 427.553 2.402 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1301298086 YHTDUHZDYQOINP-KKSFZXQISA-N 437.541 2.014 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn2ccsc2n1 1301412706 IRLZQNAOJRVZNX-UHFFFAOYSA-N 438.517 2.322 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1301497410 VUJQMXCEWGGNRC-MRXNPFEDSA-N 448.531 2.106 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1301973198 CCSFFMXMIZYBKP-CQSZACIVSA-N 426.912 2.271 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1302013154 BKJQXCWITXYNAR-OALUTQOASA-N 449.559 2.226 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1 1302617834 LCBUPSOHAAQTRS-GOSISDBHSA-N 428.514 2.002 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C(C)C)cc1C 1304381649 COQDMBZTANCZMD-AVRDEDQJSA-N 426.521 2.283 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1315978842 FHSQJCXNNWMNQP-KNQAVFIVSA-N 425.533 2.264 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1316248615 GZTYGIQIWAESGY-HXUWFJFHSA-N 438.488 2.315 30 10 IEEE C[C@]1(c2cccc(CNC(=O)NCCSCc3ccccc3C#N)c2)NC(=O)NC1=O 1318145836 ZDKJCCXWKLHLTO-JOCHJYFZSA-N 437.525 2.345 30 10 IEEE C=CC[C@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1321048730 MXUPAPSMMSRBHI-WFASDCNBSA-N 432.336 2.483 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C1 1342228616 LYJRMSHUZJRJIO-FGTMMUONSA-N 442.603 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(CCN(C)C)CC1 1358873396 ISQZJKITYSIEAM-GBXCKJPGSA-N 446.640 2.050 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1358885976 VIWFHHXPKKVNJC-ROUUACIJSA-N 433.560 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1358975727 CAXRPNUPHSDPFC-OAQYLSRUSA-N 441.539 2.462 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358984499 YTSFBSMQRAZJTD-UHFFFAOYSA-N 444.543 2.125 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1358999440 RDKRWGUXXWBYBD-FQEVSTJZSA-N 435.450 2.424 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN1CCCO 1359001767 CRXKIOAYUBACKY-KRWDZBQOSA-N 449.397 2.352 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359046776 FMQIKOWQPNCRNP-HXUWFJFHSA-N 426.609 2.317 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359049275 LRKGJKZHMSLCSP-LVCYWYKZSA-N 438.594 2.143 30 10 IEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359059254 HCIBGLVGAHMXRI-QGZVFWFLSA-N 443.598 2.340 30 10 IEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359087577 KHDRGKRUILLNHJ-GASCZTMLSA-N 425.258 2.466 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359200680 NEZDREJOYSZOAE-JOCHJYFZSA-N 425.537 2.454 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359208975 YEMFWVLMLYTTLG-IEBWSBKVSA-N 433.578 2.302 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1359270252 IDQUOULSLLPDSC-PMERELPUSA-N 448.618 2.328 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2cccnc12 1359281475 BALAPIYQFTWDML-IBGZPJMESA-N 441.557 2.416 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2cccnc12 1359281476 BALAPIYQFTWDML-LJQANCHMSA-N 441.557 2.416 30 10 IEEE N#Cc1ccc(-n2nccc2NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)cc1 1435172672 YZSWWNIBPYIEET-AWEZNQCLSA-N 427.511 2.284 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCOc2cccc(C(N)=O)c2)n1 1442966566 SIVYJKWQHRLDLR-UHFFFAOYSA-N 444.542 2.307 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)s1 1447302841 LJMRZNWJIOUXOS-WHDAMIPWSA-N 426.585 2.370 30 10 IEEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1455093019 MOPVSDIPXVAOKL-SJKOYZFVSA-N 441.431 2.251 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1464305307 VFFWWRJPBTZPDD-HOTGVXAUSA-N 442.628 2.093 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(=O)nc1O 1466240005 CBHCRIGKJIYVRO-GFCCVEGCSA-N 447.320 2.025 30 10 IEEE COc1cc(N)c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1S(C)(=O)=O 1467576576 MYRWAYXBWJHCSN-UHFFFAOYSA-N 448.932 2.168 30 10 IEEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 1468165257 MABDPCNELFYWBB-UHFFFAOYSA-N 426.416 2.312 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)ccc1F 1471201529 RRVHEPKXDYCLQK-CTYIDZIISA-N 441.525 2.323 30 10 IEEE C=CC[C@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(=O)OC 1472915207 KSRATYMAQJYPKC-KRWDZBQOSA-N 439.559 2.287 30 10 IEEE C#C[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1475860970 YJCRVWMPSQVPIH-FQEVSTJZSA-N 441.553 2.446 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1507591623 MJOIHTJPMPNMSK-IRXDYDNUSA-N 440.552 2.032 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2CCOC[C@H]2C1 1507595895 YPAGQXXGDQUEJS-LJQANCHMSA-N 425.533 2.190 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCCC1 1507606538 PEKWIBNKXFGPHJ-UHFFFAOYSA-N 445.589 2.350 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507629904 XWSQLQHRDIFSIT-QGZVFWFLSA-N 432.546 2.432 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 1508093720 VPRAMCKBLPNGNT-WMZHIEFXSA-N 441.532 2.488 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccs2)C1 1508120034 XVFVTFVGPDWIKE-HNNXBMFYSA-N 425.518 2.008 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1516058501 CYIVNSKHWMSDLU-SFHVURJKSA-N 445.568 2.301 30 10 IEEE CN(C)S(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1517029476 QIXAAGZMWUJARP-HXUWFJFHSA-N 446.552 2.081 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1519078897 ZCXWDCILCHVICU-IBGZPJMESA-N 438.532 2.356 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1519264275 ZALBEILZFFVRSE-INIZCTEOSA-N 426.521 2.279 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1539176586 RBGXUJYJZMLREA-ZWKOTPCHSA-N 433.553 2.268 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539231169 PLRDQFXDYZACRW-HNNXBMFYSA-N 440.928 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNC(=O)C1CCC1 1539251446 GZUUUTBXDKPKII-UHFFFAOYSA-N 433.512 2.096 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539506870 NIDVISHNDUTSOL-SFHVURJKSA-N 440.573 2.360 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539839663 AJXWOMYVMFVSHJ-UHFFFAOYSA-N 432.546 2.050 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539974734 TXORIDZFAHPBNV-IBGZPJMESA-N 430.597 2.446 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1540072900 ONTHKZGOZLRAKG-HKUYNNGSSA-N 433.578 2.427 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21)C1CC1 1540095201 NBWVPMUWUCRNEJ-OAHLLOKOSA-N 443.577 2.401 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1541103780 GLRGXLUQBOFLMP-OAHLLOKOSA-N 441.927 2.139 30 10 IEEE Cc1nc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C 1542049735 WBTOADOTDIKTTJ-LAUBAEHRSA-N 446.577 2.364 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1545709172 WZEDJUZDPXITKM-INIZCTEOSA-N 427.553 2.125 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1548241441 OIHXJPRHNZYYPN-SFHVURJKSA-N 440.504 2.186 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1552749312 FUSQLYBNMAOOJT-RXVVDRJESA-N 446.552 2.131 30 10 IEEE COC1(C(F)(F)Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1554675573 KOMTVGNWKQSUMY-UHFFFAOYSA-N 447.490 2.011 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1555268594 AJLSGYPXKMZMPP-JXFKEZNVSA-N 425.472 2.035 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@@H]2CCOC2)CCO1 1555992378 PHLMAPWOROZVPT-QFBILLFUSA-N 442.476 2.025 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)Cc2ccc(Br)cc2C#N)c1 1556957445 AFKNHBGNGXLYBV-UHFFFAOYSA-N 436.331 2.478 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)nc1 1558464789 NRFMVLZHHYKRPE-MRXNPFEDSA-N 425.876 2.435 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2c3ccccc3C(=O)N2C)cc1 1562197129 DNWLHNZTLWBZSR-LJQANCHMSA-N 428.514 2.442 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)C1 1565346639 USSKBEGITOVKFH-LLVKDONJSA-N 426.336 2.420 30 10 IEEE C=CCn1c(SCC(=O)N[C@H]2CCC(=O)N(C)C2=O)nnc1-c1ccc(Cl)cc1 1584388627 FAOHAJMVDDWFNU-AWEZNQCLSA-N 433.921 2.140 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1588040215 JPIHKUSJHQNHMV-XLIONFOSSA-N 436.965 2.386 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588045411 KFZWFDCNSFPRSJ-LJQANCHMSA-N 443.573 2.174 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588045900 SZVYDMSILQEHFE-HRAATJIYSA-N 448.976 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C)n(C)c1=O 1588205436 LJXKHRSWJXMMJS-UHFFFAOYSA-N 443.507 2.235 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1588214245 NLQKCXLLENEBGI-SFHVURJKSA-N 435.553 2.334 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1c[nH]c2cc(F)ccc12 1588673571 SRZVXECCKZJYGR-UHFFFAOYSA-N 438.507 2.350 30 10 IEEE C=CCOc1ccc(CC(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1588736439 ZRTNXJRUDZFLGK-UHFFFAOYSA-N 427.505 2.494 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1593763447 KRURKVDQOMJUPD-DENIHFKCSA-N 430.553 2.117 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 1594627593 VVWSIVGBWOPLRU-ZACQAIPSSA-N 443.639 2.298 30 10 IEEE C#CCN(C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1596147360 RFKKPWCCXROWPJ-KRWDZBQOSA-N 443.548 2.024 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1611766886 DDQZGCFQWPQWRM-YZVOILCLSA-N 439.486 2.243 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)C1 1611774971 PMLKJWDEIZOTIU-QHCPKHFHSA-N 438.532 2.104 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C(C)C)N2CCOCC2)n1 1612476825 BRGBFYQAKQODOL-QUCCMNQESA-N 428.585 2.235 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1628507372 DKFNYQWWODVXGF-DOTOQJQBSA-N 430.501 2.470 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 1635733177 IXGMRLCNMWDSSJ-UHFFFAOYSA-N 436.354 2.159 30 10 IEEE COc1nscc1CN(C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1636041737 QHTKTGKPIBWDHN-UHFFFAOYSA-N 436.559 2.409 30 10 IEEE COC(=O)[C@H](Cc1ccncc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1637552730 LKPDALFHPPNDEB-QKBUSNMPSA-N 442.516 2.069 30 10 IEEE C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C(=O)OC(C)(C)C 1643583415 RNYQGDPQNKCXSK-MAUKXSAKSA-N 435.546 2.318 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCN(Cc2ccccc2)c2ccccn2)cc1 1644959454 MNIIIZOLKLYQEE-UHFFFAOYSA-N 448.548 2.430 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2nc(C)cc(O)n2)C1 1645364031 ZCBSRKFESORLKU-ZIAGYGMSSA-N 425.917 2.221 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)cc(F)c3)C2=O)c1 1651878932 GAUXYOVHHMDFTP-NRFANRHFSA-N 426.379 2.061 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1 1667321979 KNHNOCVHRJZKME-HHXXYDBFSA-N 425.551 2.181 30 10 IEEE C#CCOc1ccc(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 1671135184 LGNUXFSKMVXCAI-VXKWHMMOSA-N 432.524 2.097 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]12COCCN1C(=O)OC2 1672214240 IALVFYBAZFSNKT-QGZVFWFLSA-N 426.267 2.357 30 10 IEEE C#C[C@@H](NC(=O)NCCOc1ccc(I)cc1)C1CCOCC1 1686242050 UTSINDHLOHRTKQ-MRXNPFEDSA-N 428.270 2.398 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1689892194 AGOGTZMCJFRURL-GOSISDBHSA-N 442.589 2.007 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690497262 LJFXIUWYGXADIZ-ZWKOTPCHSA-N 426.521 2.381 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1nccc(C(F)(F)F)n1 1690620163 SAMSVKWBMAPKQV-UHFFFAOYSA-N 436.442 2.369 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cccc(F)c1 1690655132 IALWKKBOKYOBCU-SFHVURJKSA-N 426.496 2.297 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1693489828 NMMBWYQFSXZVMC-ZDUSSCGKSA-N 427.509 2.282 30 10 IEEE C[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1693692977 OOCBWROTQDKWMO-NFFVOIMASA-N 436.516 2.415 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C)ccc1OC(C)C 1697255570 CVAKRVQRUWETRO-AEFFLSMTSA-N 428.537 2.420 30 10 IEEE COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)cc1O 1697445898 OCOJXCMTZVEFJC-HNNXBMFYSA-N 426.864 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCOCC1 1705479952 MSDQBSHGNAPIKT-HZPDHXFCSA-N 449.397 2.472 30 10 IEEE C#CCCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705521909 PHGRUNGLCKRGSU-NQIIRXRSSA-N 438.594 2.136 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1705552601 LYCIBAITNVCBEZ-KRWDZBQOSA-N 444.580 2.377 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](OC)C(C)(C)C)CC1 1705637290 QBGMXLGPADYCQL-FQEVSTJZSA-N 425.533 2.490 30 10 IEEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705807006 QXTRFVZUMFGRHS-IAGOWNOFSA-N 428.541 2.408 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705820909 DCJYQVIBLDBYNU-SIKLNZKXSA-N 437.592 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705930922 YZWWVTBXKUAASR-IBGZPJMESA-N 429.546 2.452 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1708302868 MSZGFCDQRLENSV-YRNRMSPPSA-N 442.520 2.010 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1712604587 QNWCCKYNNDSZIV-IBGZPJMESA-N 435.532 2.396 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1712648546 WNFJFHRXUMHVER-JQHSSLGASA-N 449.458 2.381 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722366458 QDXUJSHMHNALNE-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnccc1OC 1722405137 KLFLNVZTESXPSI-UHFFFAOYSA-N 425.514 2.260 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1722415663 FPZQDONQVZDXOW-SFHVURJKSA-N 436.560 2.437 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N(C)C 1722423183 XRVOHLLPAIMRRJ-LJQANCHMSA-N 449.552 2.190 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1722430775 ACACAFCWNQZTJN-UHFFFAOYSA-N 440.539 2.491 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)cc2OC)CC1 1722436709 LCDNSVJLKXOFCI-HXUWFJFHSA-N 439.560 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC2(OC)CCC2)CC1 1722448482 CSKCHEOZGIELFO-UHFFFAOYSA-N 436.560 2.189 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC1CC1)C1CCC1 1722693062 CJTNZBORBRQOHQ-UHFFFAOYSA-N 443.573 2.420 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)C1 1723067733 YETXHKMPZGGZGM-IBGZPJMESA-N 432.532 2.340 30 10 IEEE CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1723116739 CRYIKSGTIXSXOW-KNQAVFIVSA-N 427.528 2.063 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCCNS(C)(=O)=O 1729988737 NSOZVCSCGVLVIC-ZDUSSCGKSA-N 440.957 2.142 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCCO1 1740540521 WEJJVOHIPVXMKC-IERDGZPVSA-N 431.562 2.222 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740585010 UHQFJIFOECGAAL-IBGZPJMESA-N 447.547 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCC[C@@H](C)C1 1740659439 YYHCQESYFHLMOC-LJQANCHMSA-N 438.601 2.464 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1740724647 FXASURQMJMWFKG-IIBYNOLFSA-N 431.562 2.246 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740868683 QIGPUPRMNZNLQO-DYESRHJHSA-N 433.578 2.261 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F)C1CC1 1740906892 SMLWUBSJTALERG-SFHVURJKSA-N 431.459 2.152 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1740956434 LODFRWIDAKWXSZ-UHFFFAOYSA-N 428.924 2.007 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740962953 UOVDEVQYNRXLKP-MRXNPFEDSA-N 441.561 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2N(C)CCCC2(C)C)C1 1740983968 TZJRAASTRYIVOJ-MOPGFXCFSA-N 430.597 2.302 30 10 IEEE CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1744137412 HSOOFLUPOFJFPX-GOSISDBHSA-N 449.563 2.314 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)Oc1ccccc1F 1748847869 XZEZNDHGLKCFFD-QZTJIDSGSA-N 444.532 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(CC)cc1 1748863598 AOVQALAQWXKHJF-SFHVURJKSA-N 427.574 2.156 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749031917 NKOWELGXJQDCII-CQSZACIVSA-N 440.495 2.155 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749452166 QFQXZKXSEJQDGV-CTNGQTDRSA-N 426.565 2.480 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749681231 YXQNFROHIXXETF-MSOLQXFVSA-N 441.532 2.031 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749721232 DGSXTRKTBKRRID-KSZLIROESA-N 435.594 2.130 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760183849 RSIOQQHPCHYWKJ-INIZCTEOSA-N 428.514 2.089 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CCCO 1760193932 WIDGFYABSOMHFD-QFIPXVFZSA-N 448.571 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cccnc1OCCOC 1760199321 UGZINIJLYQYLNJ-UHFFFAOYSA-N 445.479 2.215 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1760254123 OLJIOZKRPLLAJJ-KRWDZBQOSA-N 426.540 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CC(C)C)CC2)CC1 1760265103 NVOBHIQZZXWVAI-UHFFFAOYSA-N 428.581 2.208 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760306176 DAVSJBKFSMKIGC-KBPBESRZSA-N 439.314 2.350 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1760329525 CPQGIZNPCUVRLH-MRXNPFEDSA-N 444.671 2.118 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1760335243 VMAUDTPEZMYJQW-QHCPKHFHSA-N 435.532 2.073 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760339156 ZJFPBIUJRFXCJP-GUDVDZBRSA-N 437.610 2.389 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1760437720 MGESUNZFKKHHKF-MRXNPFEDSA-N 435.532 2.215 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)c1C 1761590553 HHRGGHVEOVZIDG-MJGOQNOKSA-N 438.532 2.290 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)COC)C2)CC1 1765542927 DSWPDBFUVOVWHE-KNQAVFIVSA-N 437.592 2.315 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1770379133 DECGDPLCBMZNCU-UHFFFAOYSA-N 441.605 2.169 30 10 IEEE COC[C@@H](C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1770753533 RUTLMLCQPDPODY-NXOAAHMSSA-N 434.541 2.060 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2cccc(OC)c2)CC1 1771222911 NXCZIPWAKYUMKD-XLIONFOSSA-N 441.532 2.471 30 10 IEEE C[S@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1771370460 GCXDUJONAVJBDZ-PMERELPUSA-N 428.562 2.313 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)cc1 1849843477 HKCUZBKTBRRNNX-FQEVSTJZSA-N 442.516 2.199 30 10 IEEE CN(C(=O)CN1CCCn2nc(C(=O)N3CCC(CC#N)CC3)cc2C1=O)c1ccccc1 1850380474 DOIAGZKYIYSABG-UHFFFAOYSA-N 448.527 2.158 30 10 IEEE CC(C)CO[C@H](CC(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F)C[N+](C)(C)C 1851938151 CYQNVRZXPNIBEX-CQSZACIVSA-N 430.513 2.385 30 10 IEEE Cc1ccc(-n2c(C)nn([C@H](C)C(=O)N3CCN(c4ccc(C#N)cc4)CC3)c2=O)cc1 1851996747 IQEDYTMSTJRDBE-GOSISDBHSA-N 430.512 2.432 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)C[C@@H]3CCOC3)c3ccccc32)cc1 1854475795 NSHFQFCJFZTXHZ-INIZCTEOSA-N 425.466 2.053 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)N3CCCC3)cc2)c1 1858675269 FMUYUYASTINCIB-UHFFFAOYSA-N 427.486 2.374 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1C(=O)O 1862629149 PCBVYYHKODWJDR-BBATYDOGSA-N 425.393 2.073 30 10 IEEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870383013 RWXIHBXJHBQGLV-UHFFFAOYSA-N 429.492 2.458 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N(C)CCCC)nc1C 1872678645 FTXXQMDKXQURAG-UHFFFAOYSA-N 437.478 2.067 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900474188 CGJVKMSCTMNVTL-VXGBXAGGSA-N 425.360 2.474 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2010245517 CIBPNIJYQNSJKL-JKSUJKDBSA-N 439.553 2.170 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)C1 2020886493 LQGFJJPMHPVJQG-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE Cn1ncc(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c1I 2045318704 XSYXFZNRDFXIIK-GDNZZTSVSA-N 443.094 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060638329 VTAOTDADCHZRFS-AWEZNQCLSA-N 432.330 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060823180 FIILWHRNCLWLER-UXHICEINSA-N 438.532 2.082 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)[C@H]2CO 2216856230 DZOSSQIPTQIPRH-XAJHFOFHSA-N 439.553 2.046 30 10 IEEE C=CCC1(C(=O)N(C)Cc2nn(C)nc2Br)CN(C(=O)OC(C)(C)C)C1 2226989742 UMQKEUJMFJAIMS-UHFFFAOYSA-N 428.331 2.349 30 10 IEEE Cc1nc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247858630 GMCBZROECYZFAL-OLZOCXBDSA-N 437.371 2.394 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)ns2)OC1(C)C 2247918633 LXMHYUUXIFOJII-HOTGVXAUSA-N 425.363 2.303 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NCCNOCc3ccccc3)c(Cl)c2)OC1(C)C 2247920373 YSLBWTGNGYBLKB-UHFFFAOYSA-N 431.729 2.485 30 10 IEEE CC(C)(C)OC(=O)Nc1nc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)cs1 2255628914 OKHRFWCBVGCMQU-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255666234 QBXOVQABWYKUCX-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255811309 QOQIGIBAWFTTFT-YWVIFJGQSA-N 449.382 2.380 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256060997 OAUGITQVMFIVQP-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258953349 BPYXJRQPTFKDTK-UHFFFAOYSA-N 432.330 2.200 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1(C)C 2258956476 FHZIAGXIHSCNHF-IVZQSRNASA-N 436.358 2.182 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)n1 2267150928 WOSKESYIMBUCQD-GDBMZVCRSA-N 448.373 2.330 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267194057 MRTRNPKOMQIULE-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267265363 FCZPRLATWFCBAK-CABCVRRESA-N 446.357 2.151 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267511458 CVFVGFIOJCQULZ-AWEZNQCLSA-N 448.373 2.047 30 10 IEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267519746 KFWGOLAZBQAGLJ-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268671453 LMENTSBNGORYGO-QGZVFWFLSA-N 446.353 2.415 30 10 IEEE CC1(C)OB(c2cc(Cl)ccc2NS(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2277956751 SZGCIRXGPLOHQR-UHFFFAOYSA-N 429.731 2.286 30 10 IEEE Cc1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2278702586 TWLZFMCTGQHRQW-UHFFFAOYSA-N 446.353 2.204 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@@H](O)C#Cc2cccc(Br)c2)C1 2278732700 LHRGQIQNHUNLFT-HOTGVXAUSA-N 444.347 2.196 30 10 IEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1C 2297059760 HGZTWEKBLIAURB-GOSISDBHSA-N 429.473 2.385 30 10 IEEE C[C@H](C#CC(=O)N(C)C[C@]1(O)CCCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 2302424335 VCEUPLCTVIXAIY-NTKDMRAZSA-N 429.561 2.389 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2305240667 JPXFIDSFAWZNRR-YCRNBWNJSA-N 428.533 2.454 30 10 IEEE CCN(CC)C(=O)CSc1nnc(C)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321066334 QZUNPXBVJJVFOT-UHFFFAOYSA-N 434.478 2.109 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2328624328 VRTOBFULYSZJBB-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337198290 IDCLRCLCXOVMQI-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1nc(Br)nn1CCOC 2353674666 GRDBBSRCOFEINN-CHWSQXEVSA-N 430.347 2.254 30 10 IEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(Br)cc1C#N 2369316213 ZSOQDKXUCTVXGX-CQSZACIVSA-N 438.326 2.278 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)c1OC 59015382 RADASBCLFVAFLY-LSHDLFTRSA-N 442.501 2.382 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1F 59887899 XRARZBHMNJKUHK-ZVBGSRNCSA-N 446.512 2.235 30 10 IEEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)c1 102707255 KNMSHEPRTPTVOO-SADKCHQCSA-N 437.496 2.234 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1F 102755632 XSPBPGBDYAWMLU-GOBJLOIFSA-N 442.491 2.310 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c1C 103110293 YQOVAADMBMHUGR-BWHWTHMTSA-N 440.500 2.187 30 10 IEEE COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 170427739 VNIONWVCQSCUHU-SFHVURJKSA-N 430.482 2.468 30 10 IEEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NC1CCCC1 253576732 WETOZFLOVVHOLL-CAOOACKPSA-N 434.438 2.218 30 10 IEEE CC(C)(CCn1cnc(I)c1I)/C(N)=N/O 304252925 AMPLKOQHVBFSMS-UHFFFAOYSA-N 448.046 2.255 30 10 IEEE CC(=O)N[C@H](CS)C(=O)Nc1cc(I)ccc1Br 305972397 KRXNYCICVMDLOS-SNVBAGLBSA-N 443.104 2.427 30 10 IEEE CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431226630 XBSIZSURTIUUJN-UHFFFAOYSA-N 447.626 2.335 30 10 IEEE N#Cc1ccc(OCCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 460291946 WAXPJQFKIMYKCK-UHFFFAOYSA-N 428.242 2.112 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)cc1 475794887 IBGQLBXMWXGKHC-UHFFFAOYSA-N 435.532 2.163 30 10 IEEE COc1ccc([C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N2CCOCC2)cc1 502551802 ACDMMWPUKLGUFM-AUSIDOKSSA-N 431.533 2.446 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2=O)cc1 503847010 QIXQDJVAVXJEPR-INIZCTEOSA-N 447.900 2.457 30 10 IEEE CN1C(=O)C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H]1c1ccc(Cl)cc1 507963833 IDXMDZCSIHIPLN-KSSFIOAISA-N 434.861 2.370 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)c1 522717197 OLHVBIUHONCXSD-LJQANCHMSA-N 427.526 2.267 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ncsc2C(F)(F)F)CC1 527457285 PFLISDYEXFWNEO-UHFFFAOYSA-N 430.433 2.180 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@H]2CCCCO2)cc1 550004298 WFVKFMNZGJDTOY-AUSIDOKSSA-N 436.516 2.014 30 10 IEEE N#Cc1ccc(CSc2nnc(NC(=O)N3CCO[C@H](C(=O)C4CC4)C3)s2)cc1 554406144 XTPAFVMFBPMJEM-HNNXBMFYSA-N 429.527 2.914 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2-c2ccnn2C)c1=O 562629497 VNJQTDJAOGIWPZ-UHFFFAOYSA-N 430.533 2.369 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](NC(=O)c3cccc(C#N)c3)C2)c1 586075277 YYTYGZHUKWYNOB-QGZVFWFLSA-N 429.498 2.159 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 590973018 ZAWHZHRCODFDBF-UHFFFAOYSA-N 439.487 2.452 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 610926550 OIPJPEZHKXWOAA-OAQYLSRUSA-N 426.542 2.073 30 10 IEEE C=CCn1c(N2CCC[C@@H](NS(C)(=O)=O)C2)nnc1C(F)(F)Oc1ccccc1 669804337 JSMMMSBCDLFFFA-CQSZACIVSA-N 427.477 2.110 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)CCN1C1CC1 732707368 YYTLEUBYCUAHPD-HXUWFJFHSA-N 447.543 2.199 30 10 IEEE C#CCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 733287308 BLSBDZWQLIWVOJ-UHFFFAOYSA-N 433.442 2.166 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1c(C)cccc1C 735069080 LNJWVHVBZIFOCX-UHFFFAOYSA-N 449.580 2.152 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2c(C)noc2C)C1=O 754017367 KPRDIMXPVXGFBY-KRWDZBQOSA-N 443.529 2.091 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H](C#N)C1 756889365 DGRHAUFDAXLVDG-TZMCWYRMSA-N 447.435 2.469 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(COC)o3)c2=O)c1 765143868 CCVODPCUJTZIBO-UHFFFAOYSA-N 444.512 2.492 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 780213690 IIWGJFCOPMGALP-SFHVURJKSA-N 445.357 2.373 30 10 IEEE N#Cc1ccsc1NC(=O)COC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 780254448 DUWPXUSNSMKYKK-FQEVSTJZSA-N 429.454 2.187 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 780522909 LQKYAGMWKLIRBC-SFHVURJKSA-N 440.544 2.469 30 10 IEEE CC(=O)N1CCN(c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 786660135 AADISWULXRRXSP-QHCPKHFHSA-N 428.533 2.233 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)n1 790105218 UJVKKVDVFKREGM-HSZRJFAPSA-N 436.556 2.491 30 10 IEEE COC(=O)c1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc2[nH]ccc12 813864758 BGSCPIZHVOOVLC-UHFFFAOYSA-N 440.481 2.412 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3cnn(C)c3)C3(CO)CCC3)ccc2c1=O 816687429 YZBBZLPYPFBROA-SFHVURJKSA-N 439.541 2.238 30 10 IEEE COc1cccc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)coc12 1136149515 NIKDZRYDRJJUJI-UHFFFAOYSA-N 425.466 2.460 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1136315810 KBFZTHXEKKCFGO-INIZCTEOSA-N 438.550 2.441 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)CC1 1195464721 ZKIODFAMUDCABF-DAYGRLMNSA-N 430.496 2.092 30 10 IEEE CC(=O)N1CCN(c2cccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2C)C1=O 1206097804 WVCCMRRLNHLHOW-UHFFFAOYSA-N 447.499 2.404 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286320487 BPDNRPVYHUABEH-UHFFFAOYSA-N 444.543 2.299 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CC(N)=O)C1 1286335263 AFTWFTZOGFWCIH-MRXNPFEDSA-N 428.562 2.165 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1286356700 NCZBKLHYMGGQTK-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286360399 GJDDVXHTKQZHBF-AYAKEVCGSA-N 438.463 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286396599 GKKPBLKYYKQSEM-WOJBJXKFSA-N 433.560 2.366 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1286403362 ITKCIOTVTVXSFI-HOYKHHGWSA-N 438.528 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(C)C 1286421746 ZNRRWOGMTCIRGK-GOSISDBHSA-N 443.573 2.187 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1nc(C)no1 1286437769 LSUOFSBZCVYGIX-UHFFFAOYSA-N 428.518 2.132 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](CC)C1 1286627429 DXFKAYQURSGRMQ-OAHLLOKOSA-N 436.944 2.305 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1286759390 BFBXIHZICGVTRJ-UHFFFAOYSA-N 429.546 2.031 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1286768004 NFZYOOPZXXKDGV-GOSISDBHSA-N 433.516 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286781501 RUQVMQVSCQKVAA-LJQANCHMSA-N 431.629 2.089 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286815211 ORKWQYGLYRXYJG-QAPCUYQASA-N 449.533 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286816448 LGXRSOSLFPQLOO-QGZVFWFLSA-N 449.577 2.188 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286969987 TUVFMVWWNWEFAW-LPHOPBHVSA-N 431.562 2.361 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1 1289917243 KGFBWUDBERMOFX-SIKLNZKXSA-N 441.509 2.291 30 10 IEEE C#CCN(C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1291928996 OTLAZHPTCBARNE-QGZVFWFLSA-N 448.541 2.079 30 10 IEEE CCN(OC)C(=O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1299870803 CBPHUAJZISTCEH-UHFFFAOYSA-N 426.498 2.429 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300502304 RWVJQQQCNSBMEL-LEWJYISDSA-N 447.649 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCc1cccc(C(=O)NC)c1 1300541337 RZLFHCRFRHKTBM-UHFFFAOYSA-N 432.553 2.309 30 10 IEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C#N)C1 1301018572 GRMLWSTXNLWYQY-CQSZACIVSA-N 435.941 2.028 30 10 IEEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCCS2(=O)=O)CC1 1301119566 NUVJIVSTUICKDS-UHFFFAOYSA-N 431.562 2.392 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1301363483 USNYSYNZNCTWIZ-QZXCRCNTSA-N 442.632 2.203 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1301499601 CQEMLJCWJMSZPP-LPHOPBHVSA-N 429.496 2.191 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1301499720 DUSDXDITWMWTIW-FUHWJXTLSA-N 431.924 2.316 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNC(C)=O)C1 1301555838 DMXBSIYNOZLYGK-PXNSSMCTSA-N 427.505 2.098 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1301595347 SISUZXOSNXIOQP-UHFFFAOYSA-N 443.577 2.197 30 10 IEEE COCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1302218003 INIVPALASGCCRY-UHFFFAOYSA-N 446.939 2.264 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 1309580573 FELXGSXKCILWMH-OAHLLOKOSA-N 426.336 2.486 30 10 IEEE CN(C)CCN1CCC(Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1314669409 FKZPRRXGUZBQFR-JOCHJYFZSA-N 426.544 2.056 30 10 IEEE CN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314744501 LVXHNMPUBMQXAC-BKBKCADHSA-N 436.516 2.335 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC[C@H]2CCCO2)cc1 1316531977 YDNLEWSNYJKACX-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCCC1 1348903498 LXWIVRMFNNYDEM-MRXNPFEDSA-N 426.560 2.227 30 10 IEEE N#Cc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cn1 1352670532 LBMJTPALOMNLPT-QGMBQPNBSA-N 436.449 2.077 30 10 IEEE CCOC(=O)C1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCCC1 1354808405 QMPAJXJSYDHKRO-QGZVFWFLSA-N 426.473 2.145 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1358910643 WRQTVQUQUMWBOA-LJQANCHMSA-N 447.543 2.193 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358960015 UUGOOBLAPHFFTG-HXUWFJFHSA-N 427.574 2.058 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1359008806 AMKKWPVJCPFATM-HXOBKFHXSA-N 444.580 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOCC1(C)C 1359025377 MAQZSGQJNPQIRK-UHFFFAOYSA-N 447.530 2.344 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359301729 JFTZKRWPEQUEJH-SFHVURJKSA-N 444.967 2.177 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1359329037 WZTCEFNNBORIIO-LJQANCHMSA-N 434.562 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCOC[C@H]1C 1359329678 QNVQZRXJHALMKB-MRXNPFEDSA-N 427.530 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1359330345 OPWBVHZGLXVGAM-UHFFFAOYSA-N 445.589 2.301 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@H](c3ccc(CC)cc3)C2)s1 1448456972 XRJIBVGDWUQUPQ-IBGZPJMESA-N 433.599 2.490 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cnc(Br)s3)C2=O)cc1 1449404333 BSQWZJAKPWRZTF-CYBMUJFWSA-N 448.302 2.299 30 10 IEEE COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C[C@@H](O)CC1(C#N)CCOCC1 1460167421 GHEHADPWKFZOLE-YJBOKZPZSA-N 437.334 2.420 30 10 IEEE CC(C)(c1nnc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)o1)S(C)(=O)=O 1465588266 SMZKGZULJIUTFZ-NSHDSACASA-N 432.380 2.243 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)n[nH]2)c1C 1466081889 GRQSBHBTOJQPIF-KKSFZXQISA-N 425.581 2.174 30 10 IEEE Cc1ccc(C(=O)N2CCCN(c3cccc(F)c3F)CC2)cc1S(=O)(=O)NCC#N 1468184903 FHCLAYSTMFJARO-UHFFFAOYSA-N 448.495 2.428 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1471516379 ATIGFCMUSRXGNA-SFHVURJKSA-N 444.507 2.191 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)C2)nc1 1471983714 GLVVKYVTMCIJRE-GOSISDBHSA-N 425.514 2.111 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](O)CC(C)(C)C3)nnc12 1472562495 JKYRHEQYXONRRQ-OAHLLOKOSA-N 441.557 2.332 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)c1 1472579263 BSRWJOOUBPXXAF-UHFFFAOYSA-N 432.527 2.369 30 10 IEEE C#CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCc2ccccc21 1473826738 UYKNHPSRMXLFPU-QHCPKHFHSA-N 439.581 2.396 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1Br 1474881524 GXZUDUJLBYZVMK-AWEZNQCLSA-N 446.342 2.335 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1479060111 JRHCTFPWNWWAAP-ZDUSSCGKSA-N 427.452 2.167 30 10 IEEE CCN(c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1501636519 MCNZCNAVVBEWJE-DQRAZIAOSA-N 436.516 2.393 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](F)(C#N)C1 1503371576 IBLORMQFUIYFQZ-OAHLLOKOSA-N 427.303 2.299 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F 1504888378 PNEVMZQYIWSBQL-ZDUSSCGKSA-N 437.488 2.135 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)F)CC1 1505319941 PEEACOPYFOFIHM-KRWDZBQOSA-N 447.490 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1507537342 HFOMGJKTMLLUJX-HOTGVXAUSA-N 444.557 2.345 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@@H](O)C2)c1 1507549977 CXVXANYBBVXPJZ-QKNQBKEWSA-N 437.544 2.389 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507609028 VYZXPJAJGOJBJM-PKOBYXMFSA-N 443.573 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCOC[C@@H]1OC 1507646718 XUOHGOZYRBPWHX-KNQAVFIVSA-N 438.528 2.477 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1507691053 ZUWHLKKEOQCXER-CQSZACIVSA-N 441.479 2.296 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507801344 ULPODOIJGZNDSQ-UYAOXDASSA-N 433.516 2.452 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1507926067 OCJRFHVSEXDZGU-LJQANCHMSA-N 427.505 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1508072669 FAXSDNYXPWZVMK-OAHLLOKOSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCCOC)CC1 1508098012 MVSCVOMLKPYAAZ-UYAOXDASSA-N 449.596 2.131 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(Cc1ccnn1C)C1CC1 1508140500 IQDPVDQSFAJFIT-GOSISDBHSA-N 434.566 2.023 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1509939222 KSWUBMOJECLANW-CYBMUJFWSA-N 437.342 2.326 30 10 IEEE Cc1cccc(-c2nnc(N(C)CCC(F)F)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511084646 AEWHCFBUHMXBIM-HTXNQAPBSA-N 431.447 2.266 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1517088953 SCZHBBBOMSEKTM-UHFFFAOYSA-N 436.520 2.043 30 10 IEEE Cn1nccc1CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1517426343 NPLAPWCKNLHXBB-HNENSFHCSA-N 438.536 2.005 30 10 IEEE COc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)N(C)C)c1 1518376470 VIQXYZSJEWMNLO-OAHLLOKOSA-N 433.516 2.439 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N(C)C 1519149819 CCUSTULRVYHJDR-HXUWFJFHSA-N 440.548 2.175 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCC1 1537662435 NJIWYWOLRYTPNQ-HNNXBMFYSA-N 444.598 2.330 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1539238313 VLARZDFDIXAZOP-ZTCOLXNVSA-N 442.560 2.120 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1OCCC1(C)C 1539257405 JBORPAIGWNTVPF-IBGZPJMESA-N 430.512 2.080 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccs1 1539307560 VWFXJRCRMGJHIG-UHFFFAOYSA-N 429.513 2.083 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1539451872 CTFDPZRUOZXMSD-UHFFFAOYSA-N 440.567 2.120 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2ccco2)CC1 1539452436 SVFADJQXFJSGMG-QHCPKHFHSA-N 441.482 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2CCN(C(=O)OC)CC2)CC1 1539470037 XMDKVGUYEPCGPL-QGZVFWFLSA-N 444.580 2.236 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539557775 ZSRCEPZJKFQHKY-PGRDOPGGSA-N 443.573 2.073 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1)C1CC1 1540094796 KBEBCIAAZNDWSC-INIZCTEOSA-N 441.561 2.277 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(Cc3ccccc3)c2)C1 1540882617 LOKODHZVSUYTOV-OAQYLSRUSA-N 449.559 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C(C)C 1540902560 MDEAHEAOQOICNV-MRXNPFEDSA-N 437.591 2.307 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1541233623 OMDQSCCLDPCIHH-JPZYQRIQSA-N 443.573 2.360 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1541664641 KIVAZRJBYCEVEU-VFNWGFHPSA-N 433.557 2.460 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(C)c(C(=O)OCC)s2)s1 1545205267 MMKSJXSKHDTJOD-UHFFFAOYSA-N 443.572 2.013 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1546229064 WPUUKOXQFAFLEA-KRWDZBQOSA-N 425.551 2.341 30 10 IEEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1546653241 AUWXBEOMWGTQAQ-KRWDZBQOSA-N 428.562 2.479 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C[C@@H](C)O1 1555403733 AVSKEJQODNJAGH-QAPCUYQASA-N 440.529 2.474 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N[C@H](C#N)C2CCCC2)c(=O)n(-c2ccccc2)n1C 1583395484 OGUWZAOMUHFOCV-GOSISDBHSA-N 441.557 2.355 30 10 IEEE C#CC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1585305254 RJZFRVUOVXWPEE-UHFFFAOYSA-N 438.855 2.014 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@]3(C)Oc4ccccc4NC3=O)c(C#N)c2N)cc1 1587341292 LEKPBIVCWCZQMH-XMMPIXPASA-N 444.495 2.473 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1587638502 FRFVWYAMNSEFNE-UYAOXDASSA-N 429.590 2.160 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCOC2)C1 1587782723 AEEPSXNOGGJGPT-NRFANRHFSA-N 429.546 2.069 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1588059858 WKMFUHUJLUBBAA-IBGZPJMESA-N 435.638 2.369 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1588314342 BNHXZKBEZOMWOR-UHFFFAOYSA-N 435.532 2.164 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C/C=C/CC)CC1 1588836979 PEDMXEJQYYNLCE-SGQUHAKNSA-N 444.580 2.308 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC(C)CC2)CC1 1588913884 SIAPUNABGDUVDC-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC(F)(F)C2)CC1 1588923740 KWGLUJIYYPLTLM-HNNXBMFYSA-N 429.475 2.136 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1593757310 ARSMSABKJSSOIL-UHFFFAOYSA-N 427.553 2.257 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1594855954 FSOJHESEVIJCOE-QGZVFWFLSA-N 430.528 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1595664856 LJIPCTHSJGPVKX-GUDVDZBRSA-N 448.612 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1595706497 MBWOEQWQRAIQLM-LQTLECTNSA-N 434.500 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cccc(F)c1 1595760559 QATJXNGNZCPPSK-GOSISDBHSA-N 449.552 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)OC)C1 1595766791 XOENVSDUHZXVCS-HNNXBMFYSA-N 438.937 2.199 30 10 IEEE Cc1csc(C[C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1596399432 BSVYWJGQHBOSBO-WBVHZDCISA-N 432.571 2.471 30 10 IEEE N#C[C@@]1(NC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CCc2ccccc2C1 1616666247 UIWKVSGSWNVQMC-OAQYLSRUSA-N 445.566 2.013 30 10 IEEE Cn1nnnc1SCCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132714 WTJGJICTYBWIOS-KNVOCYPGSA-N 439.332 2.322 30 10 IEEE CO[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618943612 ICNRZNUJPNNHQU-OAHLLOKOSA-N 438.561 2.262 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCOc2ccc(F)c(F)c2)CCO1 1620354600 ARZWQFSPXGAGKC-QGZVFWFLSA-N 426.427 2.350 30 10 IEEE C=CCNC(=O)CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1621965326 YLUMKEPDLFJGEU-LEWJYISDSA-N 431.533 2.015 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)c2nc(O)c(C#N)cc2C)cc1Br 1624336346 ZDAFVFKIOSSXFE-CYBMUJFWSA-N 434.290 2.319 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCNC(=O)c3ccccc3F)C2)C1 1631383021 FYIDYPOFNQQIKM-IOXSGPKDSA-N 444.507 2.459 30 10 IEEE N#Cc1cn(CC(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)c(=O)nc1O 1631597717 VPNJVAUVIGHKKL-UHFFFAOYSA-N 442.690 2.130 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)s1 1632337862 GBMAALYDFCBCIE-APWZRJJASA-N 433.599 2.392 30 10 IEEE C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1 1633574505 DZNQQJMYXPWTAS-UHFFFAOYSA-N 435.590 2.267 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1634240401 KCDFARSZSZTQSP-SFHVURJKSA-N 430.505 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NOCCN1CCCC1=O 1634250954 KNYVQNUJYPJOKY-LJQANCHMSA-N 428.489 2.063 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCSC[C@@H]2c2cnn(C)c2)ccc1F 1636224445 PUCSTUYONWSGEE-QGZVFWFLSA-N 438.550 2.344 30 10 IEEE C#Cc1ccc(C(=O)N2CCN([C@](C)(CO)c3ccc(Br)cc3)CC2)nc1 1636780565 IDOCTNMXIRGREP-OAQYLSRUSA-N 428.330 2.491 30 10 IEEE C=CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(=O)OCC 1641631355 KSTPGOVFMXNUDP-QGZVFWFLSA-N 428.533 2.407 30 10 IEEE C#CCN(C(=O)c1cc(C)c2c(O)nc(O)nc2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973847 YXARHBZZRJENEZ-UHFFFAOYSA-N 441.488 2.219 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1 1653058730 SFJBSQZRGRUVLX-AEFFLSMTSA-N 449.573 2.221 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN([S@@](C)(=N)=O)CC2)cc1 1654722216 VDAGAOULMJLNHP-WJOKGBTCSA-N 444.561 2.122 30 10 IEEE C=CCn1cc2ccc(NC(=O)NCc3ccccc3S(=O)(=O)N(C)CCO)cc2n1 1673215419 AVKNFDKAKNABAX-UHFFFAOYSA-N 443.529 2.157 30 10 IEEE C#Cc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 1683190362 VGROLIFPJHYDMG-FQEVSTJZSA-N 427.526 2.125 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)C2)nc1 1685705299 DQHFNMITIBLDPB-GOSISDBHSA-N 441.513 2.220 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1689833439 KATXARNOAXRBFN-HNNXBMFYSA-N 446.349 2.414 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1689929932 HNBTVJZZDDVAMP-OAHLLOKOSA-N 436.969 2.285 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1689930805 ZNRVKHPHOHREAB-ZWKOTPCHSA-N 435.594 2.041 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690092225 AMMWBAVTIXOXMI-RTBURBONSA-N 439.564 2.132 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1690288464 ZWEXAFFBWKLPDN-JKSUJKDBSA-N 445.536 2.059 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)C1 1690659043 IITWXVSHCFSTEP-GOSISDBHSA-N 431.500 2.222 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CCC(N)=O)CC1 1690674831 GXCAKRPECLDXTK-UHFFFAOYSA-N 449.559 2.065 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C#N)C1 1695496446 DWNKCXSNPVHQPV-INIZCTEOSA-N 428.562 2.483 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Br)cn2)C1 1698483478 DARINPIFFHHRNJ-CXAGYDPISA-N 438.305 2.273 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCCS(=O)(=O)Cc1ccccc1 1705588163 XYPOZRXKTSVVPR-HXUWFJFHSA-N 426.542 2.208 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C)nc2)CC1 1705643292 ZRPWAGPEZIKQEP-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705656134 VJFODUGJLBBSDH-LBPRGKRZSA-N 437.367 2.069 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1705800309 UDTSKQOWXGPIHR-AEFFLSMTSA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705830016 IAXXVZNOOYHAEO-VQTJNVASSA-N 446.596 2.347 30 10 IEEE CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)O1 1708830149 LTCKURNAQOOYDD-RXVVDRJESA-N 446.577 2.150 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711508699 VXHQVAIUAUTWNJ-MRXNPFEDSA-N 448.487 2.481 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](C)OC 1712556814 DBIFCZSSWMSYDV-IRXDYDNUSA-N 446.527 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1722277858 BIKXCLVZMLDRCQ-IAGOWNOFSA-N 438.557 2.266 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1722360255 FSABUMLBKNTRTO-LJQANCHMSA-N 431.562 2.172 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367375 VUDIQRNSVWCPNU-GOSISDBHSA-N 448.614 2.374 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC2(C)C)n1 1722427965 PEMQKDJUOOZZCW-SFHVURJKSA-N 439.564 2.043 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1 1722452601 HYSVJFPLYYSEJE-UHFFFAOYSA-N 428.562 2.281 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722608084 TUGRVYVNKOCZGA-HXUWFJFHSA-N 429.613 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1722695833 RFLMICODLSMNOH-OAHLLOKOSA-N 444.902 2.473 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)C)C2)CCOC1 1723690157 IJNYCHJKHLLUAF-ZRCGQRJVSA-N 446.596 2.168 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(O)(CC)CC)c1 1740562157 INMNKWKYAYQRIO-UHFFFAOYSA-N 440.548 2.024 30 10 IEEE C#CCCCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740578910 NDKIORHTXZYCHZ-HSZRJFAPSA-N 429.565 2.182 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1740626703 CCQZIWNMXOOVPI-IXDOHACOSA-N 438.619 2.288 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1740669150 OPJNJUHWGBWWIW-UHFFFAOYSA-N 449.559 2.439 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1740800752 IBQUJZDOCXJVNZ-UHFFFAOYSA-N 449.342 2.425 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1740946229 BVCGUDWRPJBZOI-UHFFFAOYSA-N 429.502 2.232 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1741001878 DJGQKBIWHUPCHE-ULQDDVLXSA-N 443.639 2.013 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1742805523 AONHDYVRTXOIBS-UHFFFAOYSA-N 449.462 2.282 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C#N)o2)C1 1746534800 IFAQPJWEGIQINO-SFHVURJKSA-N 440.529 2.285 30 10 IEEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1747457188 QEQKDMCUILPLML-SSEXGKCCSA-N 431.562 2.421 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1747619722 YJGGIKPPOGZUMB-LJQANCHMSA-N 429.546 2.257 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1snnc1C 1748957115 VCWHOXLUFUNXAU-UHFFFAOYSA-N 428.518 2.257 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(NC(=O)OC)c2)CC1 1748984479 SKCMBBRZGKPKRO-UHFFFAOYSA-N 431.500 2.322 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)c(OC)c2)CC1 1748993580 DAJXRCKSQQOONK-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CC)C[C@H]1COc2ccccc2O1 1749664295 JQUAREYSOBRPPJ-KRWDZBQOSA-N 436.516 2.252 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749671013 XVCZXGADWBVJEO-MOPGFXCFSA-N 441.532 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CC2)N(C)C)C1 1749694436 RWFPMOZUCCPQLE-QZTJIDSGSA-N 425.537 2.047 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1749725434 UNKTXMWQMIAVBJ-KRWDZBQOSA-N 449.577 2.332 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cnnn2)CCO1 1750387583 WINAQROQIUTQLM-CYBMUJFWSA-N 434.291 2.057 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1752557887 NOIFMOHZKWSSIK-HXOBKFHXSA-N 447.547 2.125 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCOc1cccc(C(F)(F)F)n1 1760200656 QTNDBSJMMBFSJX-UHFFFAOYSA-N 427.390 2.301 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(=O)(=O)CC)CC1 1760257553 ZDVKKPXEBFJOQA-HXUWFJFHSA-N 429.590 2.010 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760264829 XPKXXKNZXITYLJ-TZIWHRDSSA-N 434.544 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOC(C)(C)C)CC1 1760271627 DUXUPEKUOREVPE-UHFFFAOYSA-N 444.605 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2OCC[C@H]2C)CC1 1760271811 MYVMMUZDGLYCSE-DNVCBOLYSA-N 442.589 2.025 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](OC)C1 1760358036 QRUJZHCRRKQPMU-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760380785 NNLBRZGEMBLNLR-GOSISDBHSA-N 436.988 2.453 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1760428374 UYESAHQVTJDWKB-KRWDZBQOSA-N 435.594 2.128 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760433663 KMDFWPMRCNYKLU-KRWDZBQOSA-N 439.476 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1760519247 XDDHPKJOOQBCSP-FQEVSTJZSA-N 427.549 2.440 30 10 IEEE C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N(C)C 1761414901 XCUKBCSGHPXTSD-RDJZCZTQSA-N 429.519 2.274 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 1762915720 KTMXBBHKVYYYQR-APWZRJJASA-N 425.493 2.314 30 10 IEEE COCCN(C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1769774809 BVRCDZYOVUIIEM-LJQANCHMSA-N 435.532 2.190 30 10 IEEE COCCO[C@H](C)c1nnc(N2C3CCC2(C)CC3)n1CCN/C(O)=C1\N=CC=CC1=O 1769966279 MAQSXAPZKRLASY-GKQLKHJNSA-N 444.536 2.050 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCCSC2)cc1 1770737984 ASHBOBPWDZOSCZ-IRXDYDNUSA-N 426.546 2.184 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCN2CCCO)CCO1 1771535994 FZOCGSAMXQDIQT-RTBURBONSA-N 430.940 2.174 30 10 IEEE CCOc1ccc(N2C[C@@H](CNC(=O)COc3c(C#N)cccc3OC)OC2=O)cc1 1851368148 HUKKXRCQJXMESV-GOSISDBHSA-N 425.441 2.486 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCC(=O)N(C4CC4)[C@@H]3c3ccccc3)CC2)n1 1853232584 FCROCFPQJJTTQD-IFMALSPDSA-N 430.512 2.139 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2ccccc2Cl)C1=O 1854352038 RYOYVDPYMSUPQV-QZTJIDSGSA-N 433.936 2.345 30 10 IEEE N#Cc1cccc(C(=O)NCCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 1858073742 UYZVJUMJUHBUNI-UHFFFAOYSA-N 426.498 2.247 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(C)c2C)cc1 1858643901 JPXIDCWWOQNWTD-UHFFFAOYSA-N 431.514 2.173 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2C(=O)O)cc1OC 1862572683 KXGUJCWIBUTMOS-LJQANCHMSA-N 441.436 2.363 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)ccc1O 1862633726 OMIKBWFJCHHYKS-IBGZPJMESA-N 427.409 2.090 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862676248 FBRRIOGDWWSILU-GOSISDBHSA-N 427.388 2.448 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871486962 NKDQBZSEKFVPCM-UHFFFAOYSA-N 439.347 2.365 30 10 IEEE CCOC(=O)Cc1nnc(S)n(/N=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)c1=O 1873494927 IFUPGFYDRVOEPE-SRZZPIQSSA-N 426.454 2.377 30 10 IEEE C#CCOC1CN(C(=O)[C@@H]2OCC(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)C1 1891707894 YBYGGYOKRVRCLJ-XZOQPEGZSA-N 426.513 2.157 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1908210356 ULJAIZWZYFJAGZ-BBWFWOEESA-N 439.553 2.027 30 10 IEEE CC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)c(S(N)(=O)=O)c2)OC1(C)C 2081129470 TUIBRXMQOWNYNP-UHFFFAOYSA-N 432.307 2.382 30 10 IEEE CN(C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124536354 QSLNHZVYZRDORZ-QZTJIDSGSA-N 446.353 2.319 30 10 IEEE CO[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CC[C@H]1OC 2199571539 UKWDLGXDVAMNNB-CABCVRRESA-N 427.148 2.383 30 10 IEEE COC[C@H](CNC(=O)OC(C)(C)C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2247254923 LHRWHRWWMTUQIV-ZDUSSCGKSA-N 426.294 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247920187 XKKGEGNHNSFSPA-OLZOCXBDSA-N 435.355 2.276 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255594792 FHCQURZZYXADFM-KBPBESRZSA-N 434.346 2.227 30 10 IEEE Cc1c(C(=O)NCCCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255628128 DEGJUBRVQZMZNR-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN1C(=O)OC(C)(C)C 2255695540 GSDPSZJVWNVHFU-GDBMZVCRSA-N 433.358 2.452 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255698251 OFCOUELUUASSCD-INIZCTEOSA-N 433.358 2.406 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC[C@@H]1NC(=O)C(F)(F)F 2255708480 KAQBTPXYCPLWSK-NEPJUHHUSA-N 430.232 2.108 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829657 SOWHYDWAEVONLR-LJQANCHMSA-N 427.354 2.379 30 10 IEEE Cc1nc(NC(=O)C(F)(F)CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256671891 ZFMYSNIVSWKRCU-UHFFFAOYSA-N 442.272 2.183 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2259933861 PIQAWIBTRKVWNW-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H]2OCCC[C@H]21 2260018656 YOWKZORUSORYTD-XCGNWRKASA-N 434.342 2.200 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267133894 ILVAKMAPOUXUMU-CABCVRRESA-N 446.357 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267134937 WNCMXVQALFXGKV-AWEZNQCLSA-N 446.357 2.038 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267259950 HKPAOEXOGFDIHO-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c2F)OC1(C)C 2267405953 SDPAMIZVXZNPPC-NWDGAFQWSA-N 442.218 2.113 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C 2267529949 RUZSZYHKDXOADR-LPHOPBHVSA-N 438.381 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870535 FRAYUCQULGVFEB-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCOC1 2268716858 HQCDQYQDECBOLT-PBHICJAKSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2272632609 RKBVQHSPEFNNCH-WNSKOXEYSA-N 443.353 2.368 30 10 IEEE C[C@@H](C#CC(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2302421721 VSHZPHYWBFVNDE-INIZCTEOSA-N 439.553 2.029 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2319268629 WYOPCLSIXSSSRF-HNNXBMFYSA-N 427.310 2.143 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc([N+](=O)[O-])cc1 2328471383 AXUJMEGLPMYDTO-UHFFFAOYSA-N 441.429 2.145 30 10 IEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccncc1 2329056399 VZBWGYNGQFDQAP-INIZCTEOSA-N 430.534 2.325 30 10 IEEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339585152 LBENZRKOPUZWAZ-ZHACJKMWSA-N 444.341 2.295 30 10 IEEE COC(=O)[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@@H]1CCCN(C(=N)N)C1 12503660 MRNGXYMKYHNMLV-XZOQPEGZSA-N 446.551 2.282 30 10 IEEE in-vivo C=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 22849282 PDHCNHILICCOPD-UHFFFAOYSA-N 430.568 2.407 30 10 IEEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)[nH]2)cc1 253577416 XAXMFBMTIWXZDF-KEBDBYFISA-N 426.458 2.474 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 254291050 CFVLYUWEGWPWNV-MELADBBJSA-N 434.461 2.486 30 10 IEEE CN1CCC[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 410129946 KPEXGOOFPHYTSZ-NJAFHUGGSA-N 446.495 2.147 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 410268591 BQNCWDSFRUOCBN-SFHVURJKSA-N 441.557 2.431 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 460943376 KZMNNNXJUTVTAG-IBGZPJMESA-N 431.562 2.391 30 10 IEEE CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cs1 482458452 VGMKKKLGAQCJBG-KGLIPLIRSA-N 436.559 2.438 30 10 IEEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 482507100 IATYNPTWSBRAJB-YLJYHZDGSA-N 429.542 2.331 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 487038147 GSNANWBMINVHNX-AWEZNQCLSA-N 446.573 2.169 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC 490685463 AZGGKLPVRSFRRK-UHFFFAOYSA-N 439.515 2.270 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3c(F)cc(F)cc3F)c(C)s2)C1=O 504743627 XGVBLEZIIZCLQF-UHFFFAOYSA-N 438.387 2.451 30 10 IEEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508881716 SNBXARVYTAFJHT-FQEVSTJZSA-N 425.581 2.066 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCCC(=O)NC)CC1 508900527 BFEMARFCUCXVQI-UHFFFAOYSA-N 427.505 2.024 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3cscc3C#N)CC2)cc1OC 515067327 CYZGFFRNEVPHKE-UHFFFAOYSA-N 449.554 2.468 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c1 524199061 LBPSDKCFXRTMSW-QGZVFWFLSA-N 426.513 2.409 30 10 IEEE Cc1cc(C)nc(SC2=C(N3CCN(C)CC3)C(=O)N(c3cccc(C#N)c3)C2=O)n1 526700397 CZILNLSGWIVZJP-UHFFFAOYSA-N 434.525 2.090 30 10 IEEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc21 526937130 VOCVXJRRSDUNKB-UHFFFAOYSA-N 446.507 2.267 30 10 IEEE COC(=O)c1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)no1 539447264 YNVWYHHSDPIMSQ-HNNXBMFYSA-N 433.262 2.246 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2Cc2ccccc2)cc1 545902222 CMFMHTVSUZMDNQ-UHFFFAOYSA-N 440.528 2.386 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)c(Cl)c1 546216059 CLFKMYNQQACXAH-UHFFFAOYSA-N 432.875 3.018 30 10 IEEE N#CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCCO2)CC1 549845803 RDDHXVBLNXVEDW-INIZCTEOSA-N 429.550 2.157 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)C)CC1 559093357 RPZLPDCEEUEXPT-UHFFFAOYSA-N 426.565 2.246 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CC(=O)Nc3cc(C(=O)O)ccc32)ccc1C(F)(F)F 580452888 BPASMRJPZCJIQB-UHFFFAOYSA-N 425.344 2.423 30 10 IEEE CC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CN(Cc2ccccc2)CCO1 586860062 RGNHHCGCIWOTOM-FGZHOGPDSA-N 438.503 2.109 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](Cc3ccccc3Cl)C(N)=O)cc2C1=O 593982417 GRLBFBMPWKJINL-OAHLLOKOSA-N 425.872 2.196 30 10 IEEE CC(C)c1nc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 608837995 PESLHIBSNLYDKT-UHFFFAOYSA-N 447.586 2.397 30 10 IEEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 608956805 KWIWSLAIRUZXKX-LJQANCHMSA-N 448.483 2.304 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CC1 614974599 IKFJDKPJVWRDRB-UHFFFAOYSA-N 446.484 2.368 30 10 IEEE COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730137104 DCEPRPQQZXDAJF-OXJNMPFZSA-N 446.617 2.457 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccsc2)cn1 730143391 BDLUJVDOVAFVNQ-QGZVFWFLSA-N 448.618 2.207 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732648559 VTONSGISOZZABQ-OAQYLSRUSA-N 444.601 2.409 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccccc1CC 735068777 KZISFNXVJCHNRG-UHFFFAOYSA-N 449.580 2.097 30 10 IEEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NC2CC2)[n+]2cc(O)cc(Cl)c2)C=C1 737998557 AKKGAYDRSUWZTF-UHFFFAOYSA-O 440.954 2.480 30 10 IEEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC#Cc1ccccc1Cl 747022941 GHIBEPUXQOILJF-OAHLLOKOSA-N 448.928 2.304 30 10 IEEE Cc1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)o1 755601997 BZSNBCDSMKVRMZ-QGZVFWFLSA-N 430.486 2.427 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1C[C@H](C(=O)O)CO1 757501134 DZMZLFZRDSNYFV-DLBZAZTESA-N 448.475 2.134 30 10 IEEE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 764422476 SHBCFLBBQOZOLS-QGZVFWFLSA-N 426.542 2.243 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccc(C)cc3)sc(=Cc3ccoc3)c2=O)cn1 765001863 MYEUIFUECFOYIO-UHFFFAOYSA-N 430.489 2.403 30 10 IEEE C#CCN(C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1CCS(=O)(=O)C1 774048194 KHQISMJPCWGJOV-INIZCTEOSA-N 430.486 2.180 30 10 IEEE C#CC[C@H](NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1 775404917 QXBHYVFYNLFIAK-YHSGTQGLSA-N 437.565 2.486 30 10 IEEE C[C@H](OC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]2C1(C)C)C(=O)N(C)CCC#N 782396319 LHRZESJUSPXCMJ-GHZYGTOFSA-N 437.537 2.389 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1 782418703 WFYPEOIOWXBNQS-AWEZNQCLSA-N 435.502 2.294 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC[C@@H]1CCOC1 784119430 UXISWFKMBIBTRP-IEBWSBKVSA-N 432.590 2.421 30 10 IEEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc12 784733225 NXWAFMOMIVQASU-MRXNPFEDSA-N 435.440 2.399 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1C#N 793741797 FYRRMAYEASVXAI-UHFFFAOYSA-N 443.463 2.147 30 10 IEEE C[C@H](C(=O)OCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)n1cnc(C#N)n1 798740613 YAEIWWCDZJEAGD-OAHLLOKOSA-N 443.467 2.434 30 10 IEEE CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 801965879 DIRDKNSTSIZTPY-UHFFFAOYSA-N 446.515 2.318 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 804865545 KGVXNZDMAQULOQ-NRFANRHFSA-N 441.553 2.141 30 10 IEEE N#CCCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 805696247 AURCWPWWVNAVFZ-BOPFTXTBSA-N 433.530 2.149 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCc3ccccc3)n2C[C@H]2CCCO2)CC1 812269168 OHJGQOKLDLUSGT-OAQYLSRUSA-N 437.544 2.140 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)C2)nc1 814138640 YQAPYSLMXKEFKY-AUSIDOKSSA-N 436.468 2.018 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2)[C@H]1n1cccn1 814703256 JMGNVLNMOYARPP-DODZYUBVSA-N 427.530 2.369 30 10 IEEE Cc1ccc(O[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)nc1 858060874 ZIBCWXFPVBMPHJ-MOPGFXCFSA-N 433.468 2.147 30 10 IEEE C[C@H](CN1CCCC1=O)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 917681440 QFUQNQKJFCEYRS-CXAGYDPISA-N 432.521 2.437 30 10 IEEE CC(=O)NCc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)s1 921281375 VPVOUPLDCAOSMM-PYCFMQQDSA-N 434.543 2.449 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1 1084205589 TYNLXUOGHIQIJE-UHFFFAOYSA-N 433.444 2.456 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cc2C1=O 1115926112 IYRNGGVEBOFELN-UHFFFAOYSA-N 434.452 2.335 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 1124734822 IYPPVBVSMVJWRE-YQYFLZKSSA-N 445.497 2.039 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)CC2=O)cc1Cl 1142371239 OYCWEBZQAYOPDE-CVEARBPZSA-N 442.878 2.164 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 1157326961 LGQQKBXAXCCMRZ-GOEBONIOSA-N 426.945 2.193 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](N2CCOC2=O)C1 1165507637 GMGHLFUMKFSLHP-PKOBYXMFSA-N 440.500 2.446 30 10 IEEE CN(C[C@H](O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1)C(=O)OC(C)(C)C 1167298204 HWJDWIHPNZYUOD-SFHVURJKSA-N 425.533 2.456 30 10 IEEE C#CCN(C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)C1CCN(C)CC1 1224066172 NHMQDUUFZWFNIT-UHFFFAOYSA-N 425.621 2.323 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286304026 UBYPEEIUDIMBHN-QUCCMNQESA-N 437.544 2.383 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286362503 CGMUVCRLNRTTTB-QFIPXVFZSA-N 428.489 2.196 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cnc2ccccc21 1286421862 HBEOHOCPLRNLPP-XMMPIXPASA-N 432.528 2.443 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(N(C)C)CCSC2)CC1 1286478265 BCALUOVODIXRAM-DEOSSOPVSA-N 438.645 2.370 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1286478775 CGEUBMNRRINFNT-LJQANCHMSA-N 437.592 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(=O)N(C)C2CCCCC2)CC1 1286486805 POBJCFAYMJGETC-UHFFFAOYSA-N 428.581 2.158 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1286730843 QBJUCLNGSJHUGC-UHFFFAOYSA-N 425.942 2.168 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C)C1)C(C)C 1286750467 AZCGDNOREWOIDW-VQTJNVASSA-N 430.597 2.438 30 10 IEEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1286777909 OEZRMVIMKYCPND-QHCPKHFHSA-N 443.523 2.147 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286780027 PGTXYNDLODQYLS-UZLBHIALSA-N 441.532 2.270 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1288516671 CPILWIKXTGQJFA-HNAYVOBHSA-N 434.548 2.271 30 10 IEEE N#Cc1cccc2[nH]cc(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c12 1290067229 AALSXAZBHLOKFA-UHFFFAOYSA-N 428.445 2.452 30 10 IEEE CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1C 1291832970 BLOIMPMSBJHHCV-UHFFFAOYSA-N 439.490 2.445 30 10 IEEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(CC#N)CC2)no1 1292722111 YWFYWBOWANYRSY-LPHOPBHVSA-N 429.525 2.320 30 10 IEEE CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1295078134 DMXVNOCIZQVMMJ-RTWAWAEBSA-N 429.528 2.486 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CC=CCO1 1297272575 REVCGFWBNCBWEB-QGZVFWFLSA-N 426.496 2.497 30 10 IEEE Cn1cc([C@H]2CCCN2c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1298819548 BIUILKULITWHJU-OZNQOIHVSA-N 438.536 2.177 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1300376237 ILTHPMCGYHLSEP-GOSISDBHSA-N 439.626 2.256 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1300581452 SKAQAALKOFMRBQ-MSOLQXFVSA-N 442.564 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCCCC2)CC1 1300719634 JQUNYWRZVDJDFG-LJQANCHMSA-N 437.592 2.361 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1300759181 HICVFIXSQYYTII-GOSISDBHSA-N 429.546 2.257 30 10 IEEE C=C(Br)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C 1300861164 ASCGSXUNZVPPPX-UHFFFAOYSA-N 434.404 2.392 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1 1300903057 CAXHAMMVWYWCIZ-UHFFFAOYSA-N 445.527 2.186 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1)C1CC1 1301316540 MGTDYVLQOZWNON-IBGZPJMESA-N 435.370 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)C1 1301554352 FIGFHIJFOICIIB-OALUTQOASA-N 425.533 2.286 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301579157 OPEDRMBDEUZRDR-LJQANCHMSA-N 430.578 2.006 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1312731466 JATFGHIYVSEZHR-SJORKVTESA-N 431.917 2.229 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1315827044 WJYSOYBSPJTTDN-MJGOQNOKSA-N 439.495 2.441 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC4(CC3)CNC(=O)C4)n2CCOCC(F)F)c1 1316529557 PUFGAOVAUDTBQC-UHFFFAOYSA-N 430.459 2.205 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCC2)CCO1 1316540787 ZWOCPMVKUGMQDM-LJQANCHMSA-N 425.493 2.458 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1358911639 ZZFMMCRKSVKTET-SFHVURJKSA-N 427.578 2.120 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1358913052 DWVDDVKBCKDKJH-SFHVURJKSA-N 435.594 2.185 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1358931412 ZTOUIBQNQMTLKP-FQEVSTJZSA-N 438.507 2.188 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cc(F)cc(C)c3C2)nnc1[C@@]1(OCC)CCOC1 1359305972 RUQIEXKZDUZDJE-HSZRJFAPSA-N 443.523 2.243 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc3c(c2)OCO3)C1 1359312304 RMXSYKBNNTVSPB-KRWDZBQOSA-N 443.504 2.005 30 10 IEEE COc1ccnc(OC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1438875599 CVCKYSSPBJDAGN-UHFFFAOYSA-N 430.486 2.010 30 10 IEEE C=CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1453963885 DGZAKHRKPRLJQF-CYBMUJFWSA-N 431.352 2.412 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](c4ncccn4)C3)CC2)cc1 1455864465 FJAYGPCDDMURMO-LJQANCHMSA-N 439.541 2.155 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)n[nH]2)c1C 1464156437 CKEPEMIRJQLDHC-JOCHJYFZSA-N 433.472 2.383 30 10 IEEE Cn1cc(CNC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 1466803048 ZCTDTJVSEDZTOS-TZIWHRDSSA-N 444.413 2.386 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(C)cc(O)n2)CC1 1471911487 NJCPVQMHDDKIGF-AWEZNQCLSA-N 425.917 2.175 30 10 IEEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1473627944 VMGRJZJOENBVRP-LJQANCHMSA-N 433.574 2.010 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1476289013 IZDOWBTZRPOCHL-RHSMWYFYSA-N 427.505 2.436 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1505323705 ILNNYWDKVKMWAS-JKSUJKDBSA-N 428.459 2.133 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)nc1 1507538771 XDFOGROGRNOSAF-MRXNPFEDSA-N 428.500 2.376 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OC)c(OC)c1 1507677330 YHDDKDCZWPZOCE-UHFFFAOYSA-N 427.505 2.048 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1507728879 WBLGEDZLOSFSPD-FCHUYYIVSA-N 437.588 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCc2noc(CC)n2)CC1 1507735395 VFDFWNZIBMLKEY-UHFFFAOYSA-N 433.516 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2nnc3n2CCCCC3)CC1 1507735824 HZLLEQXKFIEDEI-QGZVFWFLSA-N 438.580 2.124 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C)CC1 1507751517 JOUAJHWNXNMBSY-UHFFFAOYSA-N 434.573 2.440 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1507753247 DIJRCOAALVTUMM-IRXDYDNUSA-N 441.557 2.262 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1507757594 VAUBLBPIYJUFAE-UHFFFAOYSA-N 431.537 2.468 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507845834 QVHARZRPOZAVDU-HNNXBMFYSA-N 433.459 2.381 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507865131 LFGUKLDKXCIBFU-HZPDHXFCSA-N 432.974 2.302 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1508015150 LDFVASKKEHFJDL-GOSISDBHSA-N 445.589 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1508141279 MBQQEGFFEMTKNO-GOSISDBHSA-N 436.582 2.107 30 10 IEEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)s1 1511735418 DZAVRNDVJVXUEL-FQEVSTJZSA-N 428.566 2.323 30 10 IEEE CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1 1512339638 XKKQSJMPQGQORJ-MOPGFXCFSA-N 436.626 2.431 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)COCC2 1519162471 SHTWHDDXCLNQKP-UHFFFAOYSA-N 438.532 2.002 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1519289582 BHKFLASKQOGUTA-VGOFRKELSA-N 432.569 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCN(CC)CC1 1538983652 UXQSNMDSRURZDW-SFHVURJKSA-N 425.537 2.339 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1539011956 DDDSWBGMRKKFLW-DZGCQCFKSA-N 437.363 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1539333393 CIVURORVUCIWJK-QPPBQGQZSA-N 436.560 2.331 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1539621452 ADZDISIFBVTMGT-LAUBAEHRSA-N 443.523 2.360 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1541112287 GOEMHGSGKCERNB-KBAYOESNSA-N 428.512 2.251 30 10 IEEE C#CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1543708582 KNGICGSSAQCNBX-UHFFFAOYSA-N 431.514 2.021 30 10 IEEE N#C[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1ccc(OC(F)(F)F)cc1 1545142708 XLGUUXQHYCBZPX-OAHLLOKOSA-N 446.382 2.165 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1547742007 HTWNLMAKCQTCCR-UHFFFAOYSA-N 449.559 2.086 30 10 IEEE CCOCc1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1548076394 QFPCMYQCRGHFFJ-ANNUQZOISA-N 440.504 2.244 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1548334823 JJQFCSBLJUWWKY-GOSISDBHSA-N 440.932 2.370 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1554165080 HXVRHDFBUOSKED-WEACTYFJSA-N 447.499 2.164 30 10 IEEE COCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1555215449 GKYQRCLJOSJZJH-FQEVSTJZSA-N 435.525 2.463 30 10 IEEE C=CCC[C@@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1556586175 OSVSBNQPDRMDEN-KRWDZBQOSA-N 428.346 2.149 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC 1557386979 OUUWRKGQSLETKO-XMMPIXPASA-N 439.512 2.179 30 10 IEEE CCOC(=O)c1ccn(-c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2F)n1 1557880072 CFPRJTCLTMKPAH-UHFFFAOYSA-N 435.415 2.428 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 1564397220 ADUKDRPSJUPNCA-KRWDZBQOSA-N 446.495 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 1565685361 WGWOZGRYXNAYDG-SFHVURJKSA-N 440.544 2.131 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C 1586566144 OHVYQLCGYZYJPC-KBPBESRZSA-N 426.498 2.334 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1587300560 XLMBFQAZLJZRAN-XMSQKQJNSA-N 443.500 2.108 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1587767492 NLLHAIYOIYNUQD-QRQCRPRQSA-N 432.496 2.106 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587994821 SUVIUCNLIXDVRD-FQEVSTJZSA-N 444.530 2.159 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC=C 1588099421 MJNGTRVKWGAFEE-UHFFFAOYSA-N 442.317 2.091 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1588253774 DQLGZFHLBOOKOJ-SFHVURJKSA-N 444.532 2.284 30 10 IEEE C#CCSCCn1c(N(C)Cc2cnn(C)c2C)nnc1[C@]1(OC(C)C)CCOC1 1589125167 HBRZXGVSRUGQHZ-NRFANRHFSA-N 432.594 2.363 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589513655 AXEYXQRQZFRXSP-NJYVYQBISA-N 425.533 2.268 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589560150 XCHVWJMOCJVBQZ-XLIONFOSSA-N 437.610 2.072 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1595593525 FPKBQIJDSGZJTD-RBUKOAKNSA-N 429.496 2.446 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NC2CCCCC2)C1 1595679710 AGRWFPQTOUDUHV-WMZHIEFXSA-N 447.580 2.160 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1615673180 NJYJRNKXBUPXIN-UHFFFAOYSA-N 431.493 2.392 30 10 IEEE CN(C)[C@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1617651140 AQRHEGRCDDKDHF-BEFAXECRSA-N 433.969 2.160 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@@H]2C)cc1OC 1619210746 HWZFSXUZXAMUFN-RYQLBKOJSA-N 427.505 2.364 30 10 IEEE COc1cncc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)c1 1620501781 NVRTXMLGJXKFCH-UHFFFAOYSA-N 432.446 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN(c4ccc(F)cc4C#N)CC3)OC2=O)C1 1620507873 AGKLKZPQHFRDML-SFHVURJKSA-N 444.507 2.372 30 10 IEEE C=CCN(CC=C)[C@H](CNS(=O)(=O)c1cnn2cc(Br)cnc12)C(C)C 1622031854 GOOZIKZSMQTLAL-OAHLLOKOSA-N 442.383 2.469 30 10 IEEE N#C[C@H]1CN(C(=O)c2csc(I)c2Br)CCO1 1632583384 FXRAXFPVTAIGMX-LURJTMIESA-N 427.061 2.480 30 10 IEEE CC1(C)OB(C2CCN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)OC1(C)C 1637061778 AWYJFBXUBQEAHY-SFHVURJKSA-N 426.326 2.191 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@@H](C(F)(F)F)O1 1637260128 XTRDNTRDPNDURI-WQVCFCJDSA-N 438.406 2.332 30 10 IEEE C=CCn1c(SCC(=O)NN2C(=O)[C@H](C)N(C)C2=O)nnc1-c1ccc(Cl)cc1 1640913222 BOOUCSBYTOFLHL-NSHDSACASA-N 434.909 2.190 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640978249 GGYUUYQEKMQVEM-UZUQRXQVSA-N 440.500 2.486 30 10 IEEE CCCCOc1c(Cl)cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OCC 1641967674 FWUUOTCKCJQBHR-UHFFFAOYSA-N 434.880 2.482 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@H]3CCC[C@H]3C#N)CC2)cc1OC 1642537251 SKFQEKSQVBGTMA-WMZOPIPTSA-N 435.546 2.255 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)s1 1644821682 QJIJZTGJPYBQOZ-YPMHNXCESA-N 426.482 2.323 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)[C@H]1CCCc2ccccc21 1645390029 OHEHLSGIQOBRCF-VGSWGCGISA-N 426.538 2.499 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 1648727611 GWYLPCPRHAAEDH-GOSISDBHSA-N 437.525 2.125 30 10 IEEE COc1cc([C@@H](C)NCC#CCN2C(=O)c3ccccc3C2=O)ccc1S(C)(=O)=O 1655127415 MDEYOLCXXRBOBT-OAHLLOKOSA-N 426.494 2.049 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(c4ccccc4Cl)CC3)CC2)o1 1658557027 DLTNATWYLAJTOU-UHFFFAOYSA-N 442.951 2.369 30 10 IEEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1669196362 NDCFFZRJWQILFX-MRXNPFEDSA-N 425.528 2.368 30 10 IEEE C#CCC1(NC(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CCOCC1 1682547562 FNIXNLTWXZVJQM-GOSISDBHSA-N 447.601 2.487 30 10 IEEE C#CCOc1ccccc1CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1684570409 RBSUKEPYGVBHLO-HNNXBMFYSA-N 429.274 2.219 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)COC)CC1 1689938209 DTEFEJMZWPDQMG-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689979804 HQSQFKVHRXWYPD-JUXOCIIHSA-N 430.574 2.326 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993882 NBMLPQLANCPOEK-LJQANCHMSA-N 447.630 2.043 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C1CCCCC1 1690047528 SRTNXAXBTXDQGZ-FQEVSTJZSA-N 445.633 2.298 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(-n3cccn3)cc2)n1 1690107789 CTXLBBSHUWWPKU-UHFFFAOYSA-N 430.516 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(CC)C2)CC1 1690140309 UGWUKHJAOYMHKH-GOSISDBHSA-N 438.551 2.392 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(OCCN2CCCC2)CC1 1690175337 VAARANLGUQCDLI-LJQANCHMSA-N 433.622 2.230 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690315981 RRVKCQLRZUJOSZ-UHFFFAOYSA-N 433.578 2.260 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC[C@@H]1C 1697696133 VBNUVZLMWDPCKY-PXNSSMCTSA-N 441.532 2.131 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1698491475 CUHPZZIFKNAUDC-CVEARBPZSA-N 439.486 2.243 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccccc1 1705498955 HTTOPZPPVLTDAK-MRXNPFEDSA-N 429.571 2.367 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2snnc2C)c1 1705508208 RQAPHNPCGFCDRI-QGZVFWFLSA-N 437.529 2.394 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705525916 ZEVOYDVWRDGORZ-ZFWWWQNUSA-N 431.338 2.174 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705566686 QHXYDWTUIDRANX-MSOLQXFVSA-N 431.562 2.249 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CCC)C1 1705611062 OIKKXIDFRRTEED-SFHVURJKSA-N 443.621 2.430 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1705862937 ZBDAKBUBLDKPQC-PXNSSMCTSA-N 442.539 2.282 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)C1 1705928821 IDIRIQDZRVJKBS-IBGZPJMESA-N 438.532 2.211 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1705935154 IRBJVCOLGUPYDA-LJQANCHMSA-N 439.463 2.190 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1706672765 VIEXYFNOJATRRF-LEWJYISDSA-N 436.532 2.065 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C#N)o2)cc1C 1707522083 LENRZLUKZMQOEH-IBGZPJMESA-N 431.456 2.389 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1707892382 UMLDJZYXEPNRRE-GJZGRUSLSA-N 425.537 2.009 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 1710416007 GOLDMCHJLKQECP-NNMXDRDESA-N 434.585 2.025 30 10 IEEE CCOCCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1710783819 DGKVMWKJBMPKDR-GOSISDBHSA-N 430.553 2.230 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1711221284 WSIQLJOEZSUZJO-UHFFFAOYSA-N 427.896 2.275 30 10 IEEE C#CCCCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722321707 FYUCHXIFZPHFSW-QHCPKHFHSA-N 429.565 2.325 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C 1722341633 KZINCYYNUCTUKO-UHFFFAOYSA-N 427.509 2.298 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1722465362 KBCOGFJUHWJBCQ-SFHVURJKSA-N 438.557 2.058 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1722473858 IDBAWXALDAQZAP-XQBPLPMBSA-N 433.622 2.437 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1722509261 MMHBREQPCVSGLI-WIYYLYMNSA-N 439.564 2.097 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722696119 BMEQHQAJIYIMRY-VFNWGFHPSA-N 431.924 2.285 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1722739490 WDTPNOUZXAUUNI-ROUUACIJSA-N 439.651 2.164 30 10 IEEE Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1724443475 YEDRUVOFAOXOGP-KRWDZBQOSA-N 446.577 2.406 30 10 IEEE CCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729151455 SWDODNCUJHBQDR-FQEVSTJZSA-N 437.548 2.360 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC4(CCC4)C3)n2CCOCCCO)cc1 1731184722 HXBLJNHMRLTZTJ-UHFFFAOYSA-N 441.532 2.135 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1740607507 TUNKOTUODHJMLM-HKBQPEDESA-N 438.557 2.216 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1c[nH]nc1C 1740650463 BEFGJRHWITVTKV-UHFFFAOYSA-N 440.515 2.048 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCOC2)C1 1740751766 OLBXNLDEORXSLC-FHJLPGHOSA-N 447.580 2.173 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1 1740790647 LGOOLFICLMQMAO-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740875804 KHTOIOBKXXFBDI-ROUUACIJSA-N 438.594 2.168 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1740927111 RBRJKNBXTSDPSV-AZUAARDMSA-N 440.596 2.044 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1741139157 AXUXKEHDPMFWSA-ZIAGYGMSSA-N 441.504 2.356 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1741699513 VGYMGNPQHHPLHD-UHFFFAOYSA-N 449.559 2.323 30 10 IEEE CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1743426258 RONUCXUXEQKLHB-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCC[C@@H]1CC 1744696637 GOJCKFKSOJOCEH-OALUTQOASA-N 437.596 2.482 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1748202542 YNLCSTZUMIEDGX-SFHVURJKSA-N 438.532 2.118 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1N1CCOCC1 1748886230 BCLDDADRLFTUTR-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1748922704 IXKCCLBTNXWRFS-UHFFFAOYSA-N 445.531 2.046 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CCN1CCN(C)C(C)(C)C1 1748964527 FGUATGWMKBDNPF-UHFFFAOYSA-N 430.622 2.042 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCSC2(C)C)CC1 1748972694 OESPHCYREJPGFP-KRWDZBQOSA-N 439.589 2.212 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)Nc2ccc(F)cc2)CC1 1748986995 OGYILNCLGOTTDJ-UHFFFAOYSA-N 433.491 2.182 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749282321 XKCXJKBUSQXIMQ-RXVVDRJESA-N 439.988 2.230 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749366566 HDVZCJYTXVDVOS-CVEARBPZSA-N 446.639 2.042 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1749367113 QEUKXVLXMIJALA-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE C=CCCOCCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749458143 ZBKFDCIXNGQRCI-NQIIRXRSSA-N 430.597 2.127 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1749499451 HRPFUOMKKFGNJC-IBGZPJMESA-N 436.354 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749663594 KCMIKHZZQABFMT-QGZVFWFLSA-N 449.559 2.234 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1749714786 MOOTZFDBXFOQAO-FCHUYYIVSA-N 440.592 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC1CC(F)C1 1749736250 HCGXDNXAPDPWQN-UHFFFAOYSA-N 446.552 2.302 30 10 IEEE CS(=O)(=O)CCOCCn1c(C2CCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1750207558 PHAZVEKOKYPWJR-UXHICEINSA-N 443.573 2.350 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1751091244 OOJFCFJFQUVZPU-OAHLLOKOSA-N 427.534 2.171 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1760108543 ZCGMBTSHAXFILK-GAJHUEQPSA-N 427.549 2.267 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760147912 HYBIBWFNISHKGV-GOSISDBHSA-N 441.532 2.489 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C1CC1 1760216493 PQKAHTWEZVJZTM-FQEVSTJZSA-N 430.512 2.080 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1760283876 CDMKYPRKSHIRRY-KDURUIRLSA-N 428.606 2.176 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)c1cc[nH]n1 1760688199 COLQOTVNOKWNPZ-KRWDZBQOSA-N 432.532 2.497 30 10 IEEE CC(C)NC(=O)CN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1761263876 IOELFEIAAUWDTP-UHFFFAOYSA-N 439.564 2.170 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](COC(C)C)C2)n1Cc1ccc(C#N)o1 1770222005 NNAKCJYKFUGXKT-DBVUQKKJSA-N 445.520 2.145 30 10 IEEE COc1ccncc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1770554733 COOQTDXFJKEJSS-OAHLLOKOSA-N 426.427 2.328 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCCC1 1770832513 CSIVHJNIRPQMTE-FMQUCBEESA-N 428.443 2.274 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC=C(C)C1 1772660098 IJGRBUJOOFKOCG-UHFFFAOYSA-N 430.530 2.474 30 10 IEEE COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCC(C#N)CC3)Oc3ccccc32)cc1 1851602263 ULBHKDFPJYMISH-OAQYLSRUSA-N 441.509 2.414 30 10 IEEE COc1ccc(N(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c2nccc(OC)c2C#N)cc1 1852612603 PIZUPUHZUMTSJF-HNNXBMFYSA-N 446.467 2.422 30 10 IEEE C[C@H]1CC(=NC(=O)[C@@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)NN1c1ccc(Cl)cn1 1852613732 HCEISSJTNRVWCJ-SJCJKPOMSA-N 443.866 2.386 30 10 IEEE COC(=O)[C@@]1(NC(=O)COc2c(C#N)cccc2OC)CCCN(Cc2ccccc2)C1 1853232141 ODHHRYMPOGDNGW-XMMPIXPASA-N 437.496 2.270 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CC[C@H](Oc4cnccc4Cl)C3)C2=O)ccn1 1854336496 NSHLCEBZGVIAAZ-FUHWJXTLSA-N 425.876 2.286 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)c3ccnc(Cl)c3)C2=O)C1 1854880928 LELPZDSRSAIRGP-QGZVFWFLSA-N 425.876 2.286 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCO)cc1O 1862609174 GSFQOINGRALSGL-FQEVSTJZSA-N 441.436 2.133 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc1 1862632393 ZZDVDWLGMSGYSG-HXPMCKFVSA-N 439.420 2.161 30 10 IEEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 1865943933 ZVAUQZVXIKLFIT-UHFFFAOYSA-N 439.428 2.202 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4[nH]ncc4c3)cc2C1=O 1870142523 FSOAJICODWQPHC-UHFFFAOYSA-N 440.423 2.272 30 10 IEEE C#CCOc1cn(CCCCN2CCCC2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870563921 TZEQFWDKMWQESQ-UHFFFAOYSA-N 429.561 2.075 30 10 IEEE C=CCOc1ccccc1OCc1nnc2n1N(C(=O)COCCOC)[C@H](C)CS2 1875081291 BPYXJGJTPIYFCD-OAHLLOKOSA-N 434.518 2.044 30 10 IEEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(COc2ncccc2C#N)CC1 1891310928 ASIGGAQNQJTVDD-UHFFFAOYSA-N 429.498 2.297 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(Oc1ccc(Br)cc1C#N)C(=O)O 1919720571 MZCMBQXRKWAOEK-CXAGYDPISA-N 427.251 2.446 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1963655922 NSOZSDIXCNVOMW-AWEZNQCLSA-N 430.343 2.377 30 10 IEEE COc1cc2c(cc1OC)C(=N[C@H]1CNC[C@@H]1C(C)(C)O)N/C(=C1\C=C(F)C=CC1=O)N2 2059586449 IXTQNANZDPZION-GEGZHTQUSA-N 442.491 2.028 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633551 OWCMSVBNZZAFPL-QGZVFWFLSA-N 434.342 2.142 30 10 IEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060724334 WFVUOQJBSILVCO-UYAOXDASSA-N 438.532 2.222 30 10 IEEE CC(C)(C)OC(=O)NCc1ocnc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124538988 PLJWGELNOCLWTM-UHFFFAOYSA-N 445.285 2.041 30 10 IEEE CCN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@@H](C)CS(C)(=O)=O 2172778956 WFIHWDBGJTZWNB-LBPRGKRZSA-N 447.204 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#CCCO 2229099210 JTWZTNGLMTWJQN-INIZCTEOSA-N 425.323 2.387 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247834053 QCEGUMDHYGLSGX-KSFYIVLOSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630355 JBMAALQJYONLKQ-CQSZACIVSA-N 434.346 2.084 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)n1 2255655085 HUOSBWSVRCMTTK-UHFFFAOYSA-N 431.342 2.381 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)n1 2255655177 IRTPBNRRVLRXTK-LJQANCHMSA-N 425.338 2.133 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255830638 IYQLIOOMZPWTNL-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE Cn1ncc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267002970 IMVHDGLFJSRKIC-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267003080 JTTCQGXAIDDKSH-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)OC1(C)C 2267142853 ZWYBVICAWQZSPC-XMMPIXPASA-N 436.365 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267517017 MKRQMNOACQLZBL-CABCVRRESA-N 446.357 2.038 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267519255 GNLRXFNTHNEUJM-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCOCC1 2267569994 RKGALENVOYGPBQ-UHFFFAOYSA-N 449.357 2.118 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267581285 PJEKUEURWMBDJF-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267841555 QCYOSEZCQITKCO-RBUKOAKNSA-N 445.369 2.393 30 10 IEEE Cc1cccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)c1 2326991789 GJUOXGVAABPDQH-UHFFFAOYSA-N 441.513 2.469 30 10 IEEE CCOc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 26477395 ZCXMVELDFURWJK-KRWDZBQOSA-N 442.541 2.290 30 10 IEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Oc3ccc(Cl)cc32)cc1 31835830 WAQUQGBCSRHWIQ-UHFFFAOYSA-N 437.861 2.369 30 10 IEEE C=C1[C@H]2C[C@]3(COC(C)=O)CC[C@](O)(C(C)C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@H](C)[C@@H]2C[C@H]1O 257377894 AMBIXBPMZZPLEH-QSJOEHIHSA-N 438.561 2.219 30 10 IEEE CN[C@](C)(C#N)CCCn1cnc(I)c1I 304459251 XVVAMWAXFFBBNY-JTQLQIEISA-N 444.058 2.374 30 10 IEEE COc1cccc2c1CCN(C(=O)C(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)CC2 427619681 ZCGQMRNPMHLGKF-UHFFFAOYSA-N 449.898 2.972 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)CC1 438259905 NRKZQEDSFQKLDK-UHFFFAOYSA-N 430.549 2.252 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(COc2ccc(C#N)cc2)o1 439929920 XGGAKKIINBKXAJ-LFGUQSLTSA-N 438.436 2.295 30 10 IEEE CC[C@H](CO)N1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 444037502 VTLSVAPGWNOROS-MRXNPFEDSA-N 432.575 2.622 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 460810088 PTYPSIYXUFVDFT-QFBILLFUSA-N 431.562 2.311 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Br)c(C)cc2OC)CC1 462869434 AXUCHWXYZNOZKD-UHFFFAOYSA-N 425.327 2.218 30 10 IEEE CCOC(=O)C1(COC)CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 481488174 ALBUESXWSRCZHR-UHFFFAOYSA-N 445.335 2.301 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](CO)c3ccccc3)nnc12 489971333 KDSAYUVBLFAVPR-KRWDZBQOSA-N 449.536 2.215 30 10 IEEE COC(=O)C(C)(C)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 494393022 NSTLEUOERSYFLG-UHFFFAOYSA-N 437.544 2.474 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 506906458 ZFNBGQRAIONKTD-UHFFFAOYSA-N 433.434 2.289 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCCC(=O)NC)CC1 508940212 XJPXDPYZZDFVAK-UHFFFAOYSA-N 440.548 2.455 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(CNS(C)(=O)=O)CC3)c2C#N)C1 510250440 DZBDTIJKZSSEHB-CQSZACIVSA-N 438.619 2.334 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c1 513786921 PMBOCUPKTRHVNB-UHFFFAOYSA-N 431.945 2.372 30 10 IEEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 532741029 VXFDKAWAVOSDSA-UHFFFAOYSA-N 434.540 2.166 30 10 IEEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC1)C2 535229729 IPBJKHGNIHSNGG-VXKWHMMOSA-N 437.588 2.483 30 10 IEEE N#Cc1c(Cl)cccc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 542102569 IMIPOQLXMFPEHE-KGLIPLIRSA-N 428.963 2.498 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C 544075960 QFZASKQZQFYACN-UHFFFAOYSA-N 448.529 2.089 30 10 IEEE CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544639920 QLLUPAZVXZHBIU-UHFFFAOYSA-N 448.504 2.312 30 10 IEEE C=CCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(F)(F)Oc1ccccc1 564382945 RLMUEAZTPCPKFL-GOSISDBHSA-N 446.502 2.335 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)ccc1C 580872540 BFRZRZRREJFAHR-SFHVURJKSA-N 438.549 2.278 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)OC)cc1 609266330 OFBUUOYRIWTZIR-QGZVFWFLSA-N 434.489 2.052 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccccc2SCC#N)CC1 727743406 YIAWLPWPRJWZNC-UHFFFAOYSA-N 430.555 2.173 30 10 IEEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(F)cc1 728422255 GBRJDVNKEBMEGO-QGZVFWFLSA-N 439.472 2.404 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1Cc1ccccc1 728556922 AECGUUDNPLDMMZ-UHFFFAOYSA-N 448.592 2.426 30 10 IEEE COc1ccc(COC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1C#N 747082569 PUJBGDRNFYWQKE-FQEVSTJZSA-N 434.452 2.160 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 749789487 VCEMPCOSLPBOBM-OALUTQOASA-N 432.590 2.419 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cccc(C#N)c2)cc1 750431577 XUMMSDRSSUOQCH-OAHLLOKOSA-N 429.498 2.358 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 757988925 QPAODCRXIHVAOQ-LJQANCHMSA-N 435.509 2.361 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)ccc1NC(=O)C1=S=CC=C1 759173075 QDWBTPSKIULNTQ-UHFFFAOYSA-N 439.518 2.343 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccn(-c2ccc(F)cc2)n1 767682521 WKHUYSHIIFQLCI-CQSZACIVSA-N 428.445 2.293 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cnn3cc(Br)cnc23)C1=O 769898270 DGWCOWMYARQUGJ-GFCCVEGCSA-N 432.259 2.387 30 10 IEEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 773583764 WZTHBYQYTRXIIM-IEZWGBDMSA-N 427.505 2.220 30 10 IEEE CCn1nccc1C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 773976032 HSKSTQSEWDWHNU-QGZVFWFLSA-N 429.502 2.039 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(CCC(F)(F)F)c2)c1 783940731 YUWWVQWYRFWOME-UHFFFAOYSA-N 434.418 2.322 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@H]3CCCO[C@@H]3C2(C)C)C1=O 799027263 WBDIUBJXPAAOIJ-CFLDLGCGSA-N 435.565 2.330 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 809807816 SZEBFQVJZSJLPN-UHFFFAOYSA-N 425.829 2.165 30 10 IEEE C#CCN(CC)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@H]1CCCO1 812271416 YNIDNAVBTJZADM-GOSISDBHSA-N 431.562 2.046 30 10 IEEE C=CCc1ccc(OCC(=O)NS(=O)(=O)c2ccsc2C(=O)OC)c(OC)c1 916181032 VVBFSQAISJBWCV-UHFFFAOYSA-N 425.484 2.156 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3)n2N)c(OC)c1 1083983483 KKTLRKILULPOMW-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE CC(C)n1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 1084288459 QWVQPSCWALEHDH-UHFFFAOYSA-N 428.478 2.488 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1124212174 ICCXPZOYTZYBOD-INIZCTEOSA-N 448.372 2.297 30 10 IEEE Cc1ccc(-n2nc(C)c(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C)cc1Cl 1134276298 VAWZJDKCMOTELN-KKSFZXQISA-N 446.960 2.390 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1(F)F 1137215532 ZYARBMFDKFMQAC-MGPQQGTHSA-N 444.479 2.364 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 1139227641 SNNCJTWNPODNMY-UHFFFAOYSA-N 439.921 2.466 30 10 IEEE C=CC1(CC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 1149360285 XWPXUEFDBTZBTC-ZWKOTPCHSA-N 428.533 2.177 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C#N)(c3ccccn3)CC2)s1 1155677830 MMGKJWCNHKWQRS-UHFFFAOYSA-N 430.555 2.234 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(C#N)s1 1162247871 CAUGBXSEJKTLTB-OAHLLOKOSA-N 427.548 2.475 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 1165508239 NXAVHCIRCQVYFD-UHFFFAOYSA-N 444.347 2.167 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)C1 1210696761 YHUZUWDQZXKBTN-IRXDYDNUSA-N 428.537 2.420 30 10 IEEE C#C[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 1214454799 DAOMJQFGRPECRU-IBGZPJMESA-N 432.528 2.245 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286397038 RFDFVUHVHYCCQT-DBVUQKKJSA-N 444.605 2.203 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1286400129 XDIRFBQWISXJQA-SZVBFZGTSA-N 429.521 2.219 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1286407391 KGYSELJGBPKQJA-SFHVURJKSA-N 446.511 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1286430219 FWDPREMFEQDNEX-NRFANRHFSA-N 440.569 2.250 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(F)c2)CC1 1286637353 CBXRZQUELGYWCR-OAHLLOKOSA-N 437.541 2.435 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2OC)CC1 1286651924 PPZRTCSSGVOOLN-HNNXBMFYSA-N 449.577 2.356 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCc1ccccc1F 1286786512 FSFZFFANQJDBLO-UHFFFAOYSA-N 440.479 2.126 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CCC)C1 1286812756 SOVPYOAPKVGCHL-PMACEKPBSA-N 430.597 2.446 30 10 IEEE Cc1ccc(CN2CCO[C@@H](CNC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)cc1 1287927030 NCCKUWACGOQYCA-QFIPXVFZSA-N 446.555 2.476 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCC(F)(F)C1 1288116490 FXNDQYKDROZKDN-CYBMUJFWSA-N 445.474 2.387 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCc1ccc(OC)cc1 1292114061 PSTBWNKYMXCBFY-MRXNPFEDSA-N 425.913 2.464 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC2CCCCC2)nc1)c1cc[nH]n1 1292641851 JGYGAZDJQCOIOP-UHFFFAOYSA-N 429.477 2.116 30 10 IEEE C#CC[C@H](NC(=O)c1cc(I)ccc1Br)C(=O)OC 1299178125 CZGUEWPYMYTTNY-NSHDSACASA-N 436.043 2.348 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCCO)c1 1299946227 YAJFSMDQBPNKQB-JOCHJYFZSA-N 429.521 2.491 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1300310066 KLAOUVCMLPYUID-YHEJKZAPSA-N 433.553 2.205 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1300431976 PZJOBYMAPKVSBN-IBGZPJMESA-N 438.454 2.440 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccs1)N(C)C 1300527332 FSQKLQAAPIQHSM-QGZVFWFLSA-N 436.541 2.443 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1300654313 WGIDAURPAHGHMU-IEZWGBDMSA-N 449.552 2.232 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1300918796 JALSPJRAEUGVSP-QGZVFWFLSA-N 428.562 2.354 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)cc1S(=O)(=O)NCC#N 1301115233 FBMHFJZLSOWZIY-GOSISDBHSA-N 435.509 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1301578551 DIRUXZVDSPWDKH-QZTJIDSGSA-N 446.577 2.120 30 10 IEEE COc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1C#N 1302692005 BJHABZHMHMVGFF-GOSISDBHSA-N 445.497 2.235 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCOC1 1303481344 JNBVBLNPQUJPIK-XXBNENTESA-N 438.532 2.105 30 10 IEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1314818157 GGZVPDHJPYFTTK-OAQYLSRUSA-N 441.532 2.397 30 10 IEEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1 1314858258 ZKRGTYUJOUTSNV-UHFFFAOYSA-N 432.532 2.341 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC2(O)CCOCC2)c1 1316530310 HIVUAVFPXQKKCF-MRXNPFEDSA-N 437.422 2.126 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cn2ccnn2)cc1 1355744124 ISLIXLAODJDCPE-HIXSDJFHSA-N 438.513 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358892899 JPZXADYNVCDKOJ-NQIIRXRSSA-N 440.567 2.409 30 10 IEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1358923258 HYARCEXODNWPJV-NRFANRHFSA-N 440.592 2.491 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1358960766 LMZBIKCZTZJUPR-KRWDZBQOSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)N1CCOCC1 1358969980 BONUCKCZMBRMSD-OALUTQOASA-N 425.508 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)n1 1358993709 VEBXZEDDYMKTDY-OAQYLSRUSA-N 434.544 2.263 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C(C)C 1359001910 HMVMAUVYPBRLAQ-UHFFFAOYSA-N 431.610 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCC1 1359023194 COKWJTVWNBNODI-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359059063 ZTVCQYIHKZRAOB-GOSISDBHSA-N 426.590 2.323 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359086733 GZTIUXSWUZMEJP-CQSZACIVSA-N 434.342 2.037 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1359106580 JJDZCWLSJNCJML-INIZCTEOSA-N 432.550 2.153 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1359261837 XPCJMLVTNCJKSX-GAJHUEQPSA-N 443.523 2.272 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1359289313 UQGYSNDOMFKKOS-QGZVFWFLSA-N 430.578 2.158 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359309326 OVEWPNLGKBFBLV-LJQANCHMSA-N 431.562 2.204 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1359472659 OFYICHJGQWHSJK-ZFWWWQNUSA-N 449.357 2.264 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1360606305 BQGXFWCBYRMOKE-HOTGVXAUSA-N 433.557 2.413 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C)c1cc[nH]n1 1453733907 GOUCQHQEVOWSLF-HXUWFJFHSA-N 441.532 2.063 30 10 IEEE N#CCc1ccccc1CC(=O)N1CCC[C@H](n2nncc2I)C1 1455160014 ONUOGRBJKWNAMI-HNNXBMFYSA-N 435.269 2.355 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)Cn3cnc(C#N)n3)c3ccccc3O2)C1 1456875896 BPXPCNISXXDALU-OPAMFIHVSA-N 438.488 2.169 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)c2c(OC)cccc2C(=O)OC)ccc1F 1459067589 KVMAAYPJBDJPSC-UHFFFAOYSA-N 436.461 2.362 30 10 IEEE Cc1cc(Br)sc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1463328881 ALUIIAQVAVZPOQ-NSHDSACASA-N 442.364 2.380 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1466666674 DAPGTGFGHMDOEP-JKSUJKDBSA-N 435.525 2.478 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F 1467913232 SCFFJKTVEQWLRS-UHFFFAOYSA-N 427.423 2.422 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN([C@H](C)CC)CC3)nnc12 1472562337 BPNYSXZASBNREO-MRXNPFEDSA-N 440.573 2.265 30 10 IEEE CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478567679 JZCDNOOXIYCPIU-MRXNPFEDSA-N 443.305 2.053 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC#N 1494589438 DFRHNAFBEWWJFF-IRXDYDNUSA-N 426.521 2.175 30 10 IEEE CCOCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1502996591 DYGMSNPQTADPLC-APWZRJJASA-N 431.562 2.361 30 10 IEEE Cn1cc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CC2)cn1 1503653984 DSLBRBXKXMJZHS-UHFFFAOYSA-N 435.532 2.333 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507575156 SOBSDACVMWAJTB-WIYYLYMNSA-N 438.594 2.136 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507635806 VSEDBNAMKWPPHE-FQEVSTJZSA-N 427.574 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCC 1507647312 CSUOHZUTAVJOGL-IBGZPJMESA-N 443.555 2.139 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(S(C)(=O)=O)cc1 1507764975 PVZYBJAYRFWQSE-VGOFRKELSA-N 446.573 2.446 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1507897449 JEQCXOHBCPIDGO-WIYYLYMNSA-N 438.594 2.300 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)nc2ccccc12 1508042118 ZAOCBOSRROYQAJ-LJQANCHMSA-N 436.516 2.473 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1508061876 ZZNCQRRQAZVVNW-QGZVFWFLSA-N 428.512 2.258 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508083033 ZMCKASVXDYNRNC-QGZVFWFLSA-N 441.536 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 1508111244 DRLPBRVYAOFBOH-TZIWHRDSSA-N 426.565 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1508144737 UBDJTHQTIJBZDC-GDBMZVCRSA-N 443.495 2.499 30 10 IEEE CC(C)CSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509497645 ZDKLWBQWANVSPT-GOSISDBHSA-N 431.610 2.080 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F 1509742584 AVWGIXHLQWGPIC-UHFFFAOYSA-N 437.470 2.272 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(OC)c1 1516591629 DAOIMWVJCQRNQK-KRWDZBQOSA-N 448.531 2.248 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)c1ccccc1F 1519403024 BTBZAZSCBOCYLL-GJYPPUQNSA-N 444.511 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 1539315871 XLYXMLGYABKEBI-OAQYLSRUSA-N 433.604 2.385 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nc(C(C)(C)C)cs2)CC1 1539428514 SKNOZIPQJIJQJS-UHFFFAOYSA-N 443.621 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CCC)CC1 1539434341 IJRWNQCBEFJLRO-HXUWFJFHSA-N 449.397 2.352 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(=O)NCCC)c2)CC1 1539443954 CCHIVNCCQZJRKJ-UHFFFAOYSA-N 445.571 2.227 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1539751490 OFUVCDKLOSQOPQ-UXHICEINSA-N 446.573 2.351 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1539965993 CXLHNNAAFOFMBK-WAOWUJCRSA-N 438.594 2.311 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCCOC1 1540868316 ABWJKYZOZWZMLJ-SFHVURJKSA-N 435.532 2.296 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1540872766 ZTEVYSGETMZSMV-MFEFFIJZSA-N 443.523 2.083 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1540881036 XFTNIJAHUYTOJT-QGZVFWFLSA-N 433.516 2.440 30 10 IEEE Cc1c(C#N)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n2ccccc12 1544887204 AHSCEFDBDZNYHH-UHFFFAOYSA-N 444.538 2.383 30 10 IEEE CCOCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1548063630 HSRKZZQCCWOQDQ-UHFFFAOYSA-N 426.569 2.458 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1554346535 HKTVCXGKUAKTDV-OAQYLSRUSA-N 442.520 2.318 30 10 IEEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)ccc1Cl 1554755911 TWXXAIDCCRAUSF-CHWSQXEVSA-N 440.957 2.337 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C1 1555710065 IAIIYOZLAVUYQC-AUSIDOKSSA-N 441.532 2.112 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1555715988 KUONBRWJAGUNCO-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc(NC(=O)C(F)(F)F)nc3)CC2)o1 1556950857 CWAAVHKTDCZNEG-UHFFFAOYSA-N 436.394 2.283 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1558825496 QPSYRESVTJOOEI-AWEZNQCLSA-N 436.896 2.479 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1561154719 JYZQIYPQQNWGLD-VIFPVBQESA-N 429.303 2.265 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1587894549 WFGHULFXQYJBBI-MBSDFSHPSA-N 429.565 2.227 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1589089807 YJWITHKTGNMUEO-LJQANCHMSA-N 439.585 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC(C)C 1589544384 GPOSAPISPDGYJO-OTWHNJEPSA-N 440.610 2.270 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1594733243 PKVXJDBBSZXSME-SFHVURJKSA-N 437.541 2.353 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)c1ccccc1 1594839218 GGFXFLBHNMNRPP-UHFFFAOYSA-N 440.529 2.412 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1594992924 VUNBQHHZSJOPRS-NRFANRHFSA-N 438.576 2.314 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1595501520 XABWTJWTHQLDEM-SFHVURJKSA-N 441.923 2.212 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1595551576 RXQNSYNQYMITEJ-ZIAGYGMSSA-N 437.953 2.377 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CCCN1C(=O)OC(C)(C)C 1596071141 BSVCQVHRROIIQG-YKSBVNFPSA-N 442.560 2.192 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1596831089 HWEYFXCWZCURPW-KRWDZBQOSA-N 438.557 2.453 30 10 IEEE COc1ccc(C(=O)NCc2cncc(C#N)c2)cc1S(=O)(=O)Cc1cc(C)no1 1596856133 OJMUFAUHAAJALW-UHFFFAOYSA-N 426.454 2.162 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ncccc2F)CCOC1 1610449242 XJDRHAJKZHEDQR-NHCUHLMSSA-N 448.474 2.374 30 10 IEEE N#Cc1c(NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)ccc([N+](=O)[O-])c1N 1612345009 GEODKYDNDONOOK-OAHLLOKOSA-N 427.436 2.317 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1 1613787984 FBVOOSPLVDEMEU-SIKLNZKXSA-N 437.592 2.262 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1C 1614079714 GUSOWGLDNNWHAJ-ILZDJORESA-N 438.532 2.116 30 10 IEEE CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1616385286 CHRCZFTWQIDNRU-BTYIYWSLSA-N 428.468 2.127 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn2ccccc12 1618252041 LTIZCFSGVQJTCN-UHFFFAOYSA-N 449.540 2.384 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1618905490 QYRDUHRBJZAGLY-UHFFFAOYSA-N 447.455 2.130 30 10 IEEE COc1ccc([C@H](C)CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1619154115 AKQJFABOQHOPJU-YLJYHZDGSA-N 438.532 2.332 30 10 IEEE C=CCNC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1632773635 STSLIWZWDAYGLR-OAHLLOKOSA-N 426.311 2.433 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)nc1 1633498091 BWOGXBDOTJZZOL-DENIHFKCSA-N 436.487 2.003 30 10 IEEE N#C[C@H](CO)NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 1635475291 DQDNESKHJIUHPD-CYBMUJFWSA-N 435.221 2.158 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]([C@@H]3CCCO3)C3(CO)CCC3)CC2=O)cc1Cl 1640107777 FAGQLOHZUZNUMQ-BPAFIMBUSA-N 431.920 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641858243 UDLWRFQTIMHABL-AWEZNQCLSA-N 441.431 2.439 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 1644248026 SWLYTAJYZLSUOM-VAMGGRTRSA-N 429.565 2.005 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(C4(C(=O)OC)CCC4)CC3)n[nH]2)c1C 1648711111 CGKTYEVFJCDLSD-UHFFFAOYSA-N 441.532 2.386 30 10 IEEE CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H]1C 1648936582 GWMRRRWQRWPGTH-YKTARERQSA-N 435.546 2.235 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](CC)OC[C@@H]3C)nnc12 1651132361 XOOPQJUOFHCJFZ-LSDHHAIUSA-N 427.530 2.348 30 10 IEEE N#Cc1cccc2c1CN(CC(=O)NCCN1C(=O)S/C(=C/c3cccnc3)C1=O)C2 1654086835 OFUQWDFJQIUNBK-DJKKODMXSA-N 433.493 2.122 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 1655121763 WADCBDVJIFMSIL-UHFFFAOYSA-N 431.512 2.488 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C(=O)OC)o1 1656936215 LYFMQPUZKZGUII-UHFFFAOYSA-N 426.491 2.090 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 1660202427 AOAOXBNHQJPYAX-PMACEKPBSA-N 435.613 2.400 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)oc1Br)C(=O)OCC 1665498001 WPNMSAROCCDDEE-MRVPVSSYSA-N 444.687 2.181 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)N4CCOCC4)CC3)cc2)nc1 1667885773 GEDHLTDYJWGQME-UHFFFAOYSA-N 436.472 2.347 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1c(I)cnn1C 1684902372 PBDQGLPNYXFELL-UHFFFAOYSA-N 444.273 2.398 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)c2ccccc2)CC1 1689912795 AVQGTHLUHDPKAE-SFHVURJKSA-N 444.605 2.407 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1690015107 AOKWKJUIHCXFNM-VXKWHMMOSA-N 446.555 2.148 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1N1CCOCC1 1690042734 ACHSTHJIYRCBES-UHFFFAOYSA-N 441.539 2.391 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCn1cnc2ccccc21 1690092763 VCTRZPNZXXDLKD-UHFFFAOYSA-N 435.532 2.040 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1690204701 QJVFIAPSVSGWLC-ORAYPTAESA-N 448.453 2.142 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690228500 YKLPYDUZSQSQPE-ZIAGYGMSSA-N 433.372 2.094 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1690253392 PWRLOHWYUOBSLZ-SQNIBIBYSA-N 444.580 2.323 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690664500 VSQRQLFSMKGBOU-QZTJIDSGSA-N 449.914 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCOC2)C1 1690718794 AHZUBGAYPGXHMW-LJQANCHMSA-N 437.953 2.211 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)C1 1695959068 OPHWVYZPTFRECZ-LJQANCHMSA-N 446.577 2.150 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)C1 1698299034 YBRVROHZCPXKFI-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCCCN2CCCCC2)C1 1698486867 ULKOICSBYSTFRX-QFIPXVFZSA-N 431.560 2.499 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705535066 ZPOIZQWOGIARJU-QFBILLFUSA-N 430.530 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C(C)C)N1CCOCC1 1705578549 XCPSYFHVDADKMQ-FQEVSTJZSA-N 435.528 2.103 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1coc(-c2ccccc2)n1 1705621408 ZNGSJVOQIDLRLT-UHFFFAOYSA-N 434.500 2.303 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)CC1 1705640346 NZDIWKDIAIIVNX-JOCHJYFZSA-N 431.968 2.065 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1705669360 JXKFFYLYWLQVDO-YADHBBJMSA-N 443.573 2.414 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705705864 MDFVEWDNJSDKKE-QMHWCDLVSA-N 441.580 2.083 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1705743335 UPNMMXLHSWPVLC-OAQYLSRUSA-N 438.576 2.096 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccs2)CC1 1705784088 GWCYEFZMVLPRJO-UHFFFAOYSA-N 428.562 2.294 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705817103 CKRSMYQOUSFZDM-QGZVFWFLSA-N 425.599 2.389 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1705883888 ZSERUVZDTXMYSM-KRWDZBQOSA-N 436.516 2.176 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1706072737 GJLXWDCZWBPBOT-INIZCTEOSA-N 435.488 2.055 30 10 IEEE CCOCCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1710783820 DGKVMWKJBMPKDR-SFHVURJKSA-N 430.553 2.230 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1711008103 IAALAZGTYNIWPI-NRFANRHFSA-N 448.568 2.378 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1711414575 BJHJQJREVDCHAZ-UHFFFAOYSA-N 441.536 2.005 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC1 1722284113 YWDBMDMRTMKSNT-GOSISDBHSA-N 444.605 2.139 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722310987 RMDQDOQMYHOADA-SFHVURJKSA-N 448.531 2.289 30 10 IEEE C#CCCCCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722323785 XOTYBBDSBOWYMH-HSZRJFAPSA-N 431.581 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1/N=CC=CC1=O 1722348921 BHPSYDIVFWJYDL-XDOYNYLZSA-N 427.468 2.089 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](F)COC 1722381777 UCLLMXNXUGTZBO-MSOLQXFVSA-N 433.528 2.450 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1722468370 MWPJVTQAOLNCMZ-GOSISDBHSA-N 429.326 2.215 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCCN1CCC[C@H]1CO 1722469272 XVABJNTUFSZDLU-ZTCOLXNVSA-N 445.608 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1722503407 CROSZKQOEGMYMS-POAQFYNOSA-N 427.553 2.197 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1722504961 PVJFCYSYACIUMV-AVRDEDQJSA-N 436.516 2.036 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCS(=O)(=O)C1 1722678431 QPBUWAFRMVPGRL-CQSZACIVSA-N 425.942 2.067 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722697137 WNRKCWWOYLYAKD-UHFFFAOYSA-N 436.560 2.395 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1722722470 OIXXMGSWRNBMSU-RTWAWAEBSA-N 439.516 2.316 30 10 IEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 1723961319 DNXFSQNTEOTEES-JOCHJYFZSA-N 436.541 2.488 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1727011142 XRURDVGQVFNAOZ-JTSKRJEESA-N 425.537 2.190 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1730487955 KKMQDWXJVDLMHJ-JKSUJKDBSA-N 432.475 2.104 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740580696 GHMUYIORSFXPGV-SFHVURJKSA-N 434.504 2.133 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1N(C)CCCC1(C)C 1740634254 BJBCOZUBZSGQJL-OAQYLSRUSA-N 443.559 2.114 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2nsnc2c1 1740646692 IKSBBFSVWJNZBS-QFIPXVFZSA-N 436.541 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CC1 1740653072 YRZQNHNDVHWWFJ-UHFFFAOYSA-N 430.512 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(O)(CC)CC)CC1 1740691972 FKJPIGIZIWCZPE-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC2CCOCC2)CC1 1740768761 XMRURZQOMSHKQB-IFMALSPDSA-N 433.597 2.344 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740961392 VEEUWZYXEVHLSX-SFHVURJKSA-N 437.523 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCOCC1 1740987657 WVXIWOWQTRATDH-UHFFFAOYSA-N 441.351 2.145 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)N2CCOCC2)cs1 1742575923 WNLAZSUVGOGYKH-INIZCTEOSA-N 429.594 2.485 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1747774455 JXKAUBBETACNEO-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1748682595 YTWSMRHEYNNRFB-QGZVFWFLSA-N 439.541 2.204 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1748730856 WEXZKZUZEBTQMT-UHFFFAOYSA-N 426.565 2.156 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1nccc(C(F)(F)F)n1 1748798108 BGLODELDLUGSPC-UHFFFAOYSA-N 449.462 2.391 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748802894 SVIGFHQKLZUQSX-PMACEKPBSA-N 430.574 2.286 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748815439 QKUZMISIIZXCBV-OAQYLSRUSA-N 441.601 2.304 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2ccsc2)nc1 1748961222 YCCFLCPUKVOAGS-IBGZPJMESA-N 436.541 2.487 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)cc2c1 1748962213 CHOKVMSBSSRGAE-SFHVURJKSA-N 441.557 2.104 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1749038039 NEEVRONZCZQLSU-LPHOPBHVSA-N 430.530 2.009 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(C)c2)CC1 1749234471 FGEQMLAYTVPZFO-UHFFFAOYSA-N 427.553 2.111 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749238883 CPFINUBUYQUZFL-SJLPKXTDSA-N 429.496 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCSC2)C1 1749732516 XWFAELGXSVHXFG-APWZRJJASA-N 426.608 2.106 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1749756005 QAINCFLEBMOCCI-HNNXBMFYSA-N 425.580 2.341 30 10 IEEE COCCOCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750104396 GHQPRGNTNZBGGL-UHFFFAOYSA-N 425.537 2.192 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752006343 VEAIRHPAIXGJDC-SYDAPRMOSA-N 435.532 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc2cc(OC)ccc2n1C 1760126494 AIQVCFVVWDKJHL-QYWGDWMGSA-N 438.532 2.404 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760192338 HVYLJBDYNMOOIZ-BMGDILEWSA-N 447.561 2.165 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC)cc1 1760218460 HBDAHCGTBNAMQG-NRFANRHFSA-N 440.569 2.228 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCCC 1760232690 KTVQOLXSUQHPOS-UHFFFAOYSA-N 435.532 2.051 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCSC2(CCOCC2)C1 1760275445 XLSIZTBWKPNXNG-KRWDZBQOSA-N 440.635 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)CCc1ccccc1 1760333235 BXTPEAWAQZVJGD-VWPQPMDRSA-N 439.560 2.252 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760356225 IKVAEVALEVQRJR-QGZVFWFLSA-N 427.505 2.230 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnn(CC)c1 1760526847 IFYHNAIQPIXONK-UHFFFAOYSA-N 432.532 2.436 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N1CCOCC1 1763744750 FDYDCPBYYDZGQD-RBUKOAKNSA-N 438.580 2.106 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCC(F)(F)C(F)F 1764845563 XWGAPXVAJAWHOW-UHFFFAOYSA-N 428.390 2.292 30 10 IEEE CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766579898 WKZHNTJEJRBNKS-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)C2)CC1 1767141545 WOKUYDDVSXPFSZ-JOCHJYFZSA-N 437.592 2.196 30 10 IEEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)cs1 1769550225 DSTVALKWMIOIKJ-CZUORRHYSA-N 437.529 2.341 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(N(C)C)CCOCC1 1771180547 ONUOEMYRDXKCGW-GOSISDBHSA-N 434.585 2.243 30 10 IEEE C=CCN(C(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O)[C@H]1CCN(C)C1=O 1852523768 URTWVGJQUSPNFQ-SFHVURJKSA-N 441.919 2.051 30 10 IEEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cc1 1854626509 JFZQNHKPXHSEOX-OAHLLOKOSA-N 427.482 2.019 30 10 IEEE Cc1c(Cl)cncc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856414076 SQSXMVOGONJZGC-CQSZACIVSA-N 425.876 2.062 30 10 IEEE CC#CC(=O)N1CCC(c2nc(C)ncc2C(=O)NCc2cccc(C(=O)OC)c2)CC1 1857517582 NGISFHREEPWLEV-UHFFFAOYSA-N 434.496 2.231 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858336568 UFNQZVHQJBFQNK-SFHVURJKSA-N 433.555 2.423 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(C)nn2CC 1865225689 XVTPQNFPRYUOHW-HXUWFJFHSA-N 437.544 2.245 30 10 IEEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCN(c3nnc(C)n3C)CC2)n1 1868262202 NBMJNKOIFZKRBP-UHFFFAOYSA-N 433.520 2.044 30 10 IEEE N#Cc1cccc(C(=O)Nc2nc(N3CCCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1869998195 NQVBDZSJFOWYOE-QGZVFWFLSA-N 428.518 2.142 30 10 IEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CNc1ccc2c(c1)OCO2 1871120853 RAORDLXNVOIBQT-UHFFFAOYSA-N 430.457 2.334 30 10 IEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCCOCC)ncnc21 1875228469 PXXSPRQBIUTZTP-UHFFFAOYSA-N 444.536 2.370 30 10 IEEE C[C@@H](C#N)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390519 GHHIJGRNNFISFY-ORAYPTAESA-N 428.466 2.305 30 10 IEEE C#CC(C)(C)C(=O)Nc1c(I)ncnc1I 1983726195 BCFJJBCJMWWJOH-UHFFFAOYSA-N 441.010 2.284 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C1(NC(=O)OC(C)(C)C)CC(CO)C1 1991582046 LPUSWNVMXOXHIN-UHFFFAOYSA-N 427.542 2.239 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060633802 RPMRRLICBQAWTH-ZHCJQAHYSA-N 436.358 2.419 30 10 IEEE CN1CCN(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2060790286 NSGKELFKYYCDMW-GBXCKJPGSA-N 442.560 2.497 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2129059632 IJMYNHOWERFEGM-SFTDATJTSA-N 436.365 2.256 30 10 IEEE C#CCn1ncc(NC[C@@]2(N(C)Cc3ccccc3)CCOC2)c(Br)c1=O 2155166613 JLLWNJXTEVPSOB-FQEVSTJZSA-N 431.334 2.342 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216449003 HYVLHIJFJONINR-VVBPWWLESA-N 439.553 2.027 30 10 IEEE CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 2224075169 YKDSPGXYAUXQGW-KRWDZBQOSA-N 432.374 2.026 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2237387600 ZCGPJJHQYWXOTD-JXFKEZNVSA-N 437.334 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2247776671 BYGHTFTVGRSNTG-UONOGXRCSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831875 GCFABHUYDRHPJM-MPBGBICISA-N 435.355 2.182 30 10 IEEE C[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248404195 KXWMIWCUWSTEHF-OCCSQVGLSA-N 440.371 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248436339 MNEQNBKFEUJWPU-CYBMUJFWSA-N 435.355 2.234 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617264 BQPASSIVGSVSJI-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2255806906 LTWKNQSRBVXDOS-KRWDZBQOSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255861027 KEDWXWDYAXJELZ-DRCDNIGYSA-N 431.342 2.490 30 10 IEEE COc1ccc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267011718 JUNUTMJWMKWZSG-UHFFFAOYSA-N 448.325 2.275 30 10 IEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098881 FFVXTRYRGMFECC-MRXNPFEDSA-N 448.373 2.426 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267131239 YVDGZWPMGQYYDK-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267145913 JSKJSTCCFZAGCM-CVEARBPZSA-N 446.357 2.323 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267169317 XICFBDWLTNKABF-ZBFHGGJFSA-N 446.357 2.199 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178140 XWWDNYDEXQLDPB-IBGZPJMESA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267552989 WTIOFJQXRIKMBF-HZPDHXFCSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1O)C2 2267680206 RXLQDYICZUJVRF-LFVRLGFBSA-N 444.337 2.431 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268633407 SAGYFHJWIAUTJI-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268677538 URKFBULRVOCQGJ-HOTGVXAUSA-N 447.341 2.249 30 10 IEEE Cc1ccc(CNC(=O)COCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278700812 GAYKGUSRSLEIIS-UHFFFAOYSA-N 448.369 2.452 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2302570827 DBDRIQARQVEEKQ-XDNAFOTISA-N 437.585 2.452 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccn2C)cc1OC 2325890359 HFYNXDUCUPXYSY-UHFFFAOYSA-N 442.545 2.269 30 10 IEEE CCCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337207860 GDVNYVHZYDZTMK-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)n1C 2337399477 FIAHXZMQDYDUQS-MOPGFXCFSA-N 436.365 2.127 30 10 IEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CCC(NC(=O)OCc2ccccc2)CC1 2365211868 PLJZVAMNORMMIU-GSVIPDFHSA-N 436.574 2.001 30 10 IEEE CS(=O)(=O)C1(C#C[C@H](N)[C@@H](O)c2scc(Br)c2Br)CC1 2367816725 PMIIBBHUUCUZLQ-WCBMZHEXSA-N 443.182 2.214 30 10 IEEE CCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 33473527 HAIACQYTCMMVPD-LFIBNONCSA-N 432.571 2.496 30 10 IEEE COc1cccc(N2C[C@H](C(=O)NCC#Cc3ccc(N4CCOC4=O)cc3)CC2=O)c1 96349905 SEXSOOMTMXTGOI-GOSISDBHSA-N 433.464 2.173 30 10 IEEE C#CCn1ncc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(Br)c1=O 390840060 CMRWUYISFQSLLW-KRWDZBQOSA-N 431.334 2.342 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H](C)C1 440573567 HGJJSUDXWKPLLR-KRWDZBQOSA-N 434.496 2.349 30 10 IEEE COC(CNC(=O)C1(c2ccc(C#N)cc2)CC1)CNC(=O)C1(c2ccc(C#N)cc2)CC1 444301709 NRKRNXHIIRYAKQ-UHFFFAOYSA-N 442.519 2.441 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 460293700 OCGULKJCXHSDOY-UHFFFAOYSA-N 427.526 2.463 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cn1 462108207 KPKIBEJKJOZWBI-PZJWPPBQSA-N 431.500 2.143 30 10 IEEE CC(C)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn12 504907251 DVAGXPSMHULZOD-PXNSSMCTSA-N 445.483 2.319 30 10 IEEE N#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1cccc(Cl)c1Cl 505308050 MDMAASVQAAQNGX-LBPRGKRZSA-N 449.279 2.399 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(n2cc(C(=O)OC)nn2)CC1 508869194 ZIDDBHNFECGRGJ-IBGZPJMESA-N 435.488 2.360 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 518815981 FTKLIJMDPIZHEJ-OAHLLOKOSA-N 426.410 2.349 30 10 IEEE C=CCN1CCC(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CC1 519733946 KZHMAQOJVHLOMD-CRJLIHAFSA-N 445.563 2.232 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)cc2C1=O 530800819 FHKKMSFWWXMBQS-KRWDZBQOSA-N 425.391 2.282 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 548947507 ZKUSHTZELKACGZ-GOSISDBHSA-N 438.549 2.142 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 556574897 VTSJSLGHEMJACH-IBGZPJMESA-N 426.904 2.201 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N3CCCCCC3)cc21 586314549 PUKMEPXCWPTFSA-BEIWTESXSA-N 432.542 2.321 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(F)c1 586861281 ZIGBGQPBAVFDJT-UHFFFAOYSA-N 442.878 2.342 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1 604181929 SZKRXSOGUXWGJI-UHFFFAOYSA-N 434.968 2.018 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 609229160 UDTXIOXKCCWTRQ-LJQANCHMSA-N 446.460 2.465 30 10 IEEE CS(=O)(=O)Nc1cccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 609307062 NJZFCRKKFLLKQL-GOSISDBHSA-N 444.538 2.012 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cc1F 609450256 BZYJKYHIJKELTQ-UHFFFAOYSA-N 446.507 2.246 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCCCN2CCCCC2)CC1 609550788 YNAOATNMBHZBCX-UHFFFAOYSA-N 447.605 2.230 30 10 IEEE C#CCN(C(=O)c1cc(Br)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 729331870 RCFVTNXBMQEVDZ-CYBMUJFWSA-N 430.320 2.119 30 10 IEEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccsc2)C1=O 730143900 FIDPQMILIXCAQG-JQBIEYAESA-N 445.614 2.254 30 10 IEEE N#C[C@@H](C(=O)Cn1ncc2ccccc21)c1nnc(N2CCOCC2)n1-c1ccccc1 730690303 SGILOFIBJASIGC-IBGZPJMESA-N 427.468 2.330 30 10 IEEE COc1cc(F)ccc1N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 734487737 VTXVCNUERUMJEP-QGZVFWFLSA-N 435.459 2.482 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)CC(=O)N2C)cc1 734925174 YCZGNNOOXDJYAI-OXJNMPFZSA-N 425.441 2.478 30 10 IEEE CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC#Cc2ccccc2Cl)c1 746977209 MREWWMFYVCQHKI-UHFFFAOYSA-N 436.917 2.203 30 10 IEEE Cc1c(Cl)cccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C)c2)c1=O 748063904 DXGLQKBDKSIHQE-UHFFFAOYSA-N 438.940 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1ncccc1OCCCC#N 755230014 AFXVTQVBACRVLS-HNNXBMFYSA-N 431.493 2.218 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2cc(-c3ccccc3)nn2)c1 761973719 QPNANKAIXMVPMB-GFMRDNFCSA-N 438.513 2.397 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cc1C 774256705 NRYXPEMTSYDFLB-GOSISDBHSA-N 434.606 2.464 30 10 IEEE N#C[C@H](C(=O)CCC(=O)N1CCc2sccc2C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787057528 FUWWWNZGWXBTHQ-QGZVFWFLSA-N 440.481 2.346 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCNC(=O)c2ccc(Br)cc2)n1 788813759 HSHUPHQQXIKJED-UHFFFAOYSA-N 447.333 2.074 30 10 IEEE COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C)(C#N)CC1 802376540 QWMWLVNYXBCPSC-UHFFFAOYSA-N 437.592 2.419 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 809885160 AXMJKDISADNTQV-HYFFOGBASA-N 449.552 2.157 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 812937948 IERPKVVMZLMHGM-LJQANCHMSA-N 446.460 2.124 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](c2cnn(C)c2)C1 849574066 UQTAFSJSDDKARA-BTHPGYMESA-N 444.580 2.109 30 10 IEEE CCCn1c(O)nc2cc(S(=O)(=O)NC(=O)[C@H](C)Oc3ccccc3C#N)ccc21 916189686 BUOOALLRGFMQQO-ZDUSSCGKSA-N 428.470 2.296 30 10 IEEE Cc1c(NC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)ccc(Br)c1C#N 1130146494 IQDRTJHACURNSD-UHFFFAOYSA-N 425.308 2.470 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1136570442 HZXVRNZYGKVUON-KRWDZBQOSA-N 439.516 2.031 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1OC 1144397401 BGROLHZWPAJODV-CSKARUKUSA-N 430.501 2.286 30 10 IEEE C[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(S(C)(=O)=O)cc1 1171869485 OHRSJJNKHBPDHU-CYBMUJFWSA-N 438.502 2.060 30 10 IEEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1180226232 OZXFZVAMRIOIHN-UHFFFAOYSA-N 441.435 2.002 30 10 IEEE C#CCN(c1nnc(CC)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286392379 GVAVSBPHQKVAFF-FQEVSTJZSA-N 429.590 2.384 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COC 1286457706 CUWVERMSLLHFEE-AEFFLSMTSA-N 434.537 2.242 30 10 IEEE C#CCSCCn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1286512079 INMPREHTGQEZNC-RXVVDRJESA-N 430.578 2.372 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286790347 MZKZRHYYNZUTCW-CYFREDJKSA-N 439.560 2.140 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(C)C1 1286790453 FHJZGMPDYBYOIK-QGZVFWFLSA-N 446.552 2.045 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286949324 HOQBHOAEBXTPNF-NRFANRHFSA-N 449.559 2.086 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1C(F)(F)C12CCC2 1288808703 YRLPIJRXTYITRV-GXTWGEPZSA-N 428.509 2.064 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)C[C@H]1CS(=O)(=O)C2 1289205985 PABSJYMSJGEHHU-QKKBWIMNSA-N 430.432 2.206 30 10 IEEE C#CCN(C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1291930022 XVDJHXLDBWGEEX-HNNXBMFYSA-N 438.571 2.304 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1292759216 BXXZNMWEYZDRFF-XMMPIXPASA-N 446.559 2.425 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 1293136169 DGKAMJWEKXIZBO-NVXWUHKLSA-N 429.322 2.396 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OC)cc2OC)CCOC1 1296605340 HPSVKHSPGYJCGH-YADHBBJMSA-N 445.495 2.438 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)n1 1297349438 BPSUSPRGDSNGLX-UHFFFAOYSA-N 436.266 2.058 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1 1299944333 ZISHSLXWKKGLAR-LJQANCHMSA-N 445.541 2.229 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1300308240 NSGLKZWCIOJZQK-WMZOPIPTSA-N 446.573 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1300319303 AATWENUKGKIZNT-ZWKOTPCHSA-N 436.560 2.435 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300381346 CIERHOYZEFZZAL-SXLOBPIMSA-N 428.537 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1ncnn1C(C)(C)C 1300547911 UCSGZNZWYDFDMN-UHFFFAOYSA-N 433.516 2.333 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1N1CCOCC1 1300574545 CLTCTYYLDQMNCV-UHFFFAOYSA-N 445.502 2.222 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1c(F)cc(F)c(F)c1F 1300649958 QIZLMPDDFKJBKR-UHFFFAOYSA-N 427.402 2.107 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)COCc2ccccc2)CC1 1300695811 KNWGFSILECNDSF-FQEVSTJZSA-N 431.544 2.343 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1300698179 OXSOVAOSAVMVPS-UKPGIYTDSA-N 441.601 2.202 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ccsc3C#N)CC2)c1 1300767871 CQYXKOMBRZQDNF-UHFFFAOYSA-N 432.571 2.254 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)CC2)nc1 1301182049 NTBWLAIDLVTUEN-UHFFFAOYSA-N 438.553 2.203 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@H](C)C2)C1 1301543623 NQEJPZWIOBZUAT-MIZPHKNDSA-N 433.597 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCCO1 1301577841 OOMWKKGPXDDXJC-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(C)(C)C)C1 1301587241 XPVBMFDPOSBDOP-OAHLLOKOSA-N 449.577 2.479 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2ccsc2)CC1 1301587340 UGIHUIRPPRKTBZ-UHFFFAOYSA-N 435.619 2.215 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301588340 YFLXVBHKXADIQD-QGZVFWFLSA-N 439.626 2.209 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1)c1cc[nH]n1 1303508409 MPNVJACHTISGKV-UHFFFAOYSA-N 441.410 2.413 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)CNc2ccc(C#N)cc2)CC1 1306067866 OURSJMBOZUKHGP-IBGZPJMESA-N 441.532 2.040 30 10 IEEE CCOC(=O)[C@]1(F)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC12CCC2 1307924003 FOPXBLROKVLQIY-VGOFRKELSA-N 448.564 2.214 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2nccc(OC)n2)CC1)c1ccc(Br)cc1 1312938404 ZTXWDTROUGAYBA-INIZCTEOSA-N 430.306 2.454 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(F)CCC2)C[C@H]1O 1315108664 KNMHSVUTKJQIQH-QZTJIDSGSA-N 427.480 2.459 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(O)CCc2ccccc21 1316269906 PJZDSQSWONTHQQ-LUFCQUEKSA-N 425.533 2.432 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCOC2)cc1C 1329604490 WVVQDFLYVATZAS-GHTZIAJQSA-N 449.559 2.360 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)N(C)C 1358988642 XYSPHTXBTHKMCQ-UHFFFAOYSA-N 425.514 2.046 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)CNC(=O)C2 1359219413 PSOLSUCQTKJWDX-UHFFFAOYSA-N 428.562 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1359293164 JFNIYIQOONIUGB-INIZCTEOSA-N 434.500 2.103 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1359301595 CUFDVDLZHRDKIQ-UHFFFAOYSA-N 439.495 2.386 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(C)C)C1 1359327105 SBNKLVWLVYUXEF-QGZVFWFLSA-N 446.577 2.399 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1360287574 QFMJEULDTHBRAO-UHFFFAOYSA-N 449.559 2.323 30 10 IEEE C#CC[C@]1(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1436762640 ZIUQHMHGZRKODL-DNQXCXABSA-N 425.529 2.435 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnc(I)c(O)c2)c1 1441768376 SYOJWSXCXZGVSJ-UHFFFAOYSA-N 435.221 2.084 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1445047926 FLZYZSYOHCXABC-DLBZAZTESA-N 449.552 2.118 30 10 IEEE COc1cc2c(c(OC)c1)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCC2 1460922599 DBLMVSPRVMPEMO-UHFFFAOYSA-N 429.498 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1464925088 LVMFTRTVUBYVNL-QFPXGYFVSA-N 432.521 2.056 30 10 IEEE COCCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504832657 CDALPEDDXUSNRU-GOSISDBHSA-N 426.521 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCN(CC)CC1 1507524399 BFJWRHMRHPCXIW-OALUTQOASA-N 438.576 2.200 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCNC(=O)C(C)(C)C)c1 1507552721 RRKWXUNFRQQXTN-UHFFFAOYSA-N 436.560 2.449 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507633817 ILHWRYJHTNKVPC-CVDCTZTESA-N 444.601 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCN1CCCO 1507656835 KYJOBOMXXHHSEA-QFIPXVFZSA-N 430.556 2.201 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1507692429 YAPWGCIIJDOZLM-OAHLLOKOSA-N 447.565 2.254 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1507763032 JVXCUPZZKITLQU-HSZRJFAPSA-N 447.547 2.075 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)C1 1507805649 KSACCUXNTKOUEI-GCJKJVERSA-N 425.533 2.159 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1507947942 LXOKYUNMJARTDF-SFHVURJKSA-N 426.496 2.183 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507970958 NQERPWWXARITOL-MRXNPFEDSA-N 441.561 2.239 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1508077276 YERYCEWMMUDCGU-YSIASYRMSA-N 443.548 2.187 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1nccc(C(F)F)n1 1508417639 ILGAQXAUXBZKQB-LLVKDONJSA-N 430.419 2.378 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1509965339 MEZOYHMIVVSEQE-BVZALQNUSA-N 438.532 2.245 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1 1517309413 OTOXDULJAMABOI-UHFFFAOYSA-N 446.558 2.104 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1519393944 OXRQUFURPNFJIG-KRWDZBQOSA-N 442.520 2.147 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1519511374 IBSJEYKEBPIMLN-LJQANCHMSA-N 427.530 2.177 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3ccc4cncc(Br)c4n3)CC2)c1C#N 1522359776 BNBOYSPAQBPIAM-UHFFFAOYSA-N 440.305 2.268 30 10 IEEE C#C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 1525054330 LRJNHQPLAUYLNE-CQSZACIVSA-N 442.225 2.444 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)O3)C2=O)cc1 1534326312 SMGHXZQLMIHUAF-OAGGEKHMSA-N 438.406 2.379 30 10 IEEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)C[C@H]1CS(=O)(=O)C2 1536179102 CFYSLZAUJRJMGP-SJCJKPOMSA-N 425.297 2.189 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1539049302 KHATVMYMNNHPGM-UHFFFAOYSA-N 449.353 2.134 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539218668 BYTPBSLFSKTPBK-MSOLQXFVSA-N 447.605 2.389 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1-n1cccn1 1539284548 RAYJRSZXMAZQMR-UNMCSNQZSA-N 430.512 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)CN1CCOCC1 1539359529 JJEQXUAEIPNBGS-GOSISDBHSA-N 427.549 2.390 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](COC)OC)CC1 1539445890 JSOPCYSMWRLOFL-IBGZPJMESA-N 436.516 2.017 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539507422 WHQJWDXHLIWRJD-INIZCTEOSA-N 448.570 2.054 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@@]1(OC(C)C)CCOC1 1539530678 LTQTVAKHEFMRPP-DYESRHJHSA-N 445.593 2.155 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539900477 NMTFOHKLCYQWAW-QHCPKHFHSA-N 430.597 2.417 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1540071742 MXPQGDVFCGVJDD-HNNXBMFYSA-N 425.580 2.143 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)CCO1 1541074040 GTPIUZAUCDZDLW-KNQAVFIVSA-N 440.573 2.444 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C(N)=O)cc1 1541455284 SLXPVDKPYFTPDM-UHFFFAOYSA-N 431.500 2.159 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc1 1542246224 CFAMAWKIDKYOKR-LJQANCHMSA-N 435.532 2.098 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)C1 1547222304 FQXAIGRKIIYZSQ-UXHICEINSA-N 440.548 2.221 30 10 IEEE Cn1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)n1 1554367091 HGNBDUQDKMDGQN-KRWDZBQOSA-N 433.904 2.238 30 10 IEEE COCCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555469099 ZKPKWYSDYKTIEZ-KRWDZBQOSA-N 433.520 2.143 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1555560668 ROEKGBKGEQWTOM-LJQANCHMSA-N 441.532 2.459 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 1557385976 AQXUPPUNRALCBL-UHFFFAOYSA-N 432.498 2.175 30 10 IEEE C#CC1(O)CCN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CC1 1557603516 OMYGOIGGZAUZBO-UHFFFAOYSA-N 438.303 2.280 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCc1ncn(C)c1Br 1558584632 RDHNUKONTDEDNV-UHFFFAOYSA-N 430.310 2.005 30 10 IEEE C=CCC1(O)CCN([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1560155094 AUSAXGIMVBYUHZ-CQSZACIVSA-N 429.970 2.320 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)CC1 1561765192 XKNAFSHCBPREKR-UHFFFAOYSA-N 436.711 2.038 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1570148086 DNEAJROPFUGINN-IRXDYDNUSA-N 439.553 2.435 30 10 IEEE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1570831183 KPYCTMLKTVKRJD-ROUUACIJSA-N 425.493 2.436 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1587579800 JXLXYYGXGFHXTK-LRAJWGHMSA-N 448.614 2.139 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1587750076 QSYCGFZOJPUQNN-UHFFFAOYSA-N 434.504 2.234 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588029049 CUVIJQVONNMJAD-MOPGFXCFSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588053395 DRTPHOYGWFUSSR-HZPDHXFCSA-N 434.587 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@H](C)OC)CC1 1588908112 KRLYYYIVYGRKSL-KRWDZBQOSA-N 432.528 2.494 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1nncn1C 1593776740 PZCKKDUXPRSREP-BZSNNMDCSA-N 431.541 2.065 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc(CO)nn2)CC1 1594102721 YMUIYPMYKHTUTP-UHFFFAOYSA-N 429.475 2.478 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCCC1 1613594181 CVVHBEIYMMTXQE-IBGZPJMESA-N 431.585 2.190 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 1617948110 YLSWZQUTUAPRQS-UHFFFAOYSA-N 432.542 2.268 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3[C@@H]3CCCOC3)CC2)cc1 1618477139 CKJNFBDZLPHRKZ-GOSISDBHSA-N 443.529 2.146 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)CC1 1619546902 HBQJHTQSFGSEBO-UHFFFAOYSA-N 428.562 2.253 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)NCC3CCN(CC#N)CC3)CCC2)CC1 1627910100 URVXULWEWOXZBE-UHFFFAOYSA-N 434.581 2.270 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1633301504 SFOIATZKWPWGTB-HZPDHXFCSA-N 435.525 2.478 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn3ncc(C(=O)OCC)c3c2)s1 1647785550 BEHIQSPLWLCRCA-UHFFFAOYSA-N 448.526 2.218 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n(C2CCCCC2)c1C 1654944524 OTLWGRIPNAYDMQ-PBHICJAKSA-N 435.594 2.277 30 10 IEEE COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCS(=O)(=O)C1 1668482376 GGYWVWIEIMULPG-KRWDZBQOSA-N 430.486 2.413 30 10 IEEE CS(=O)(=O)C1(CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1686352215 YHQPAKGJOAITMV-HTQZYQBOSA-N 444.344 2.376 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1689955525 LGRWQIYUVMOABS-UHFFFAOYSA-N 426.565 2.058 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1689972258 JHFWAOHQWSRRLG-KRWDZBQOSA-N 442.564 2.260 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1690001760 ROXIYSPIVZFGDX-MRXNPFEDSA-N 432.459 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690243132 HLQBYVRIRMAKTJ-FHWLQOOXSA-N 431.562 2.335 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690510996 LZSMADKTBKDCDT-QHCPKHFHSA-N 436.516 2.180 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690697398 UQACWEKMEJGAAS-RTWAWAEBSA-N 439.608 2.456 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1690997241 GTFMJHFMQVGIOO-HOTGVXAUSA-N 445.545 2.137 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1691002020 UAPGODOSCWIPBF-VHSXEESVSA-N 444.849 2.279 30 10 IEEE C[C@H]1CN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCO[C@@H](C#N)C3)cn2)CCO1 1693745931 HLZWEGARSGYOOJ-HKUYNNGSSA-N 439.564 2.264 30 10 IEEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1698492595 IFNADAIMRIYPMC-OAHLLOKOSA-N 430.450 2.324 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705560970 MKGFFVVTPNDXPC-KRWDZBQOSA-N 442.541 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCN1CC 1705583495 ZKKMYXRERBWJRT-JOCHJYFZSA-N 446.603 2.399 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1Cc1cnnn1C 1705621321 XQKHSHLPEKPXKT-UHFFFAOYSA-N 433.495 2.095 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCC(C)CC1 1705629265 BWORGHLPDXRWBM-UHFFFAOYSA-N 435.576 2.335 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(=O)NC)CC1 1705637238 OHPKXOHMFCMPED-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)CN(C)C)CC1 1705642855 JSKAVJZLWXFFJJ-UHFFFAOYSA-N 428.556 2.339 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN2CCCO)CC1 1705771397 RKNUHUQVLBZNLX-SFHVURJKSA-N 444.605 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OC(C)C)CC1 1705898870 AFXZPRANPSHERI-UHFFFAOYSA-N 427.505 2.370 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1705920676 CCTLSUVULWBLNS-LJQANCHMSA-N 429.484 2.140 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3CCOCC3)CC2)c1C#N 1707807509 CFMYFGYRNSMQCY-UHFFFAOYSA-N 426.569 2.143 30 10 IEEE COC1(C(F)(F)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1711586339 YENYCVBXEOXDLG-OAHLLOKOSA-N 440.495 2.083 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1712453774 ZWXTVJWSURVTGH-AVRDEDQJSA-N 426.521 2.435 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)C1 1712710241 ZPTYXJXENJEMSW-QGZVFWFLSA-N 446.577 2.289 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccc(C)c(F)c1 1722299688 RRURIJIXWJTPBT-QGZVFWFLSA-N 437.523 2.475 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722323464 UIQWMJHTDKUJAN-RTWAWAEBSA-N 436.560 2.282 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722369071 YFYIWWRPXOTRBM-QZTJIDSGSA-N 428.558 2.280 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N(C)C)CCOCC1 1722376976 KHROQWCBJVCLJS-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN(C)C 1722410002 NBFOUDVMLYTGIT-UHFFFAOYSA-N 431.610 2.286 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2)N(C)C)CC1 1722439399 AFPNUZGPWDNIQY-HSZRJFAPSA-N 429.572 2.322 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722454268 KUMSRTVRLMZQJI-SJLPKXTDSA-N 444.513 2.443 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722537194 MEQIVAKOHSYWAZ-ROUUACIJSA-N 445.568 2.203 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCS(=O)(=O)NC 1722658429 DXXYQMCICXOSBO-UHFFFAOYSA-N 432.525 2.165 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccccc2)C1 1722709355 OKGPTLRPMMFDKA-WMZHIEFXSA-N 425.533 2.203 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1723769607 LRBBYYFTLALCBP-QZTJIDSGSA-N 435.532 2.306 30 10 IEEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1727705726 AUHMNASFGDVDOQ-BSDSXHPESA-N 438.598 2.033 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nc(C)c(C)s1 1729032928 DVPLUIRCXJCTHM-UHFFFAOYSA-N 425.518 2.471 30 10 IEEE COCC[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730657834 QTZIZGCHBROVGL-BSBNDGSWSA-N 428.537 2.325 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCCC 1740548486 BAXAIMNSHNMMKD-MRXNPFEDSA-N 432.569 2.377 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1740565352 SOAMCYPUBTVUQQ-UHFFFAOYSA-N 436.560 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCO[C@H]1C 1740682270 PLBOKRRXAQIMBP-MGPUTAFESA-N 449.349 2.334 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCn2ccnc2C)CC1 1740699957 AIJNHMVXKMIMHI-UHFFFAOYSA-N 449.559 2.216 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1740700628 XOWUIGAIUYUYRW-GOSISDBHSA-N 434.585 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OC)c2)CC1 1740707202 TVBOCHJRQIBZAQ-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1740725694 TUHVLICTRPDMPF-WAOWUJCRSA-N 436.626 2.145 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 1740736099 FEBZPNVRRLPQIC-AWEZNQCLSA-N 436.358 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740956023 KNLKOBVFUJKDAR-GOSISDBHSA-N 447.543 2.075 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740961634 VYQXHZVZJNDXQL-UHFFFAOYSA-N 444.967 2.395 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1740979134 HKJVAFCTQQLMDH-OALUTQOASA-N 446.573 2.405 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCOC2)C1 1740983355 GSZACKJCBQMRFP-NZQKXSOJSA-N 428.533 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc2[C@@H]1C 1740985184 DDIHDBVSPCSDMP-INIZCTEOSA-N 431.562 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740988664 MEYQZGJDJVKXDH-HSALFYBXSA-N 441.557 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(Cl)cc2C1 1740991252 RPOIPZGKWQHQIB-QGZVFWFLSA-N 449.964 2.046 30 10 IEEE CC(C)(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1741170522 KOXYOGYCONHWJX-HXUWFJFHSA-N 447.543 2.437 30 10 IEEE CC(C)(O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741254303 HWGZQQAGVGONKE-MRXNPFEDSA-N 430.503 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCC=C 1748886892 OZGWEWOVBFYPKO-UHFFFAOYSA-N 430.512 2.248 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1748991457 XKRDRJGPQTWTLN-IBGZPJMESA-N 446.596 2.184 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSC(C)C)CC1 1749015831 OXPHLEREIBGFEH-UHFFFAOYSA-N 443.621 2.247 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749109511 OBMDJWSNHSWKIN-ZIAGYGMSSA-N 437.298 2.162 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749126342 BCVDLEAOOWCQBF-SCTDSRPQSA-N 441.536 2.431 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749219372 FOPUTHUVGUFKHX-LJQANCHMSA-N 438.532 2.304 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1749546570 AUCZUSKXVRWCPG-UTKZUKDTSA-N 431.537 2.429 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749650314 RTEPMMTXYLJUQH-FQEVSTJZSA-N 449.559 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCOC1 1749740224 SHGBIOAGHJBZHM-GOSISDBHSA-N 434.562 2.300 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1750569854 XMEHECKJDNWKAQ-UHFFFAOYSA-N 440.548 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCSCC1 1760199361 VBCZRAQHTMKYKD-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760425398 LINQDVRSCCCORV-NVXWUHKLSA-N 428.541 2.160 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760432865 NVHYWFCBHSLHHO-CQSZACIVSA-N 445.549 2.140 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1760449253 FGMQEGGVVMHPRY-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760517047 AWFSZBVRAJLSTD-HXOBKFHXSA-N 441.532 2.030 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760548385 FLUKLNLRYZFHNR-UHFFFAOYSA-N 442.589 2.196 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760551961 XXLCVNFHUYZIRI-YOFSQIOKSA-N 441.557 2.015 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCCCCCO 1763044529 QDABGMLPTDRUEA-SFHVURJKSA-N 447.547 2.270 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1763932830 MAHBEOOUZYQPQQ-OAHLLOKOSA-N 441.536 2.441 30 10 IEEE CCCc1nc(C)c(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)o1 1763938702 ZDUUOQCJFDBPKG-JTSKRJEESA-N 444.536 2.345 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)SC 1770044869 SYNDNSIGNUWQAX-DLBZAZTESA-N 445.593 2.347 30 10 IEEE N#Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@H](C(N)=O)C2)o1 1770740054 HUQOIQRDWXMIAC-CYBMUJFWSA-N 428.399 2.371 30 10 IEEE COC[C@@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1770794810 GSYPCWIEFZRARE-IBGZPJMESA-N 435.507 2.447 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1771289191 OHDRJPFTWWOJIY-HBMCJLEFSA-N 446.596 2.099 30 10 IEEE O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)ON1C(=O)c2ccccc2C1=O 1772785650 DFACHZREBMNIKF-UHFFFAOYSA-N 429.237 2.026 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nn[nH]c1C(=O)ON1C(=O)c2ccccc2C1=O 1772788773 GLYGQQXCLQBMGZ-ZDUSSCGKSA-N 427.417 2.245 30 10 IEEE CN1CCC(N(C)C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851177001 FHZDUSNRQPIMNG-JOCHJYFZSA-N 440.569 2.000 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ncc(C#N)cc3Cl)CC2)cc1 1851884148 OJEHRZXULNPELU-UHFFFAOYSA-N 448.932 2.078 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1)CC(F)(F)F 1852163963 OJMPCODDMLNFGX-CYBMUJFWSA-N 430.383 2.416 30 10 IEEE CO[C@@H](CN1CCN(c2nccc(C#N)n2)CC1)c1ccccc1I 1853401867 KMDUGKWNFIEGGF-KRWDZBQOSA-N 449.296 2.463 30 10 IEEE N#Cc1ccnc(OCC2CCN([C@@H]3CCCN(C(=O)[C@H]4CCCS4)C3=O)CC2)c1 1854419523 HWKRKOUEWNLCLS-RTBURBONSA-N 428.558 2.457 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)C1 1854881044 ACEQGEDRSSIMQO-DZGCQCFKSA-N 428.386 2.214 30 10 IEEE CCCOCCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858965587 UCACXFLFSWFGDH-UHFFFAOYSA-N 445.497 2.330 30 10 IEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1860971750 YEVUOBCPRIIUSD-LAUBAEHRSA-N 434.496 2.040 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862754648 OXZJONINTHQNAU-DIFFPNOSSA-N 427.369 2.462 30 10 IEEE O=C1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)cc2)CN1Cc1ccccc1 1874208707 MMKBEYUTBPHWPF-ZMPUUUETSA-N 437.525 2.466 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1890927163 MFILHKJYHOIKMH-HZPDHXFCSA-N 444.022 2.358 30 10 IEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CC=C(c4cncc(C#N)c4)CC3)cc2)CC1 1891326179 JLZUMRFNKUKTPF-UHFFFAOYSA-N 443.507 2.187 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 1892023446 WGSSDLNWNGNBJN-LBPRGKRZSA-N 441.282 2.482 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](O)c1cn(C)nc1I 1922059525 HRZZEBOYANSODI-CVEARBPZSA-N 427.286 2.419 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247904234 NKMVMODWLOMNKB-DHFPXDALSA-N 448.366 2.489 30 10 IEEE CC[C@@H](CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248403910 HGQKZVYCGFHYCP-LBPRGKRZSA-N 440.375 2.281 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2255620882 FNHHMKSCBRMRQR-ASSNKEHSSA-N 449.382 2.490 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255822303 LGKZZHOOEQKZQK-GASCZTMLSA-N 431.342 2.475 30 10 IEEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255832642 PBDOLOOFXXBWLO-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1 2257487748 PXTBUQCSKDZUDW-UHFFFAOYSA-N 431.342 2.381 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258973473 KNUUPQOEOYFXJQ-IAGOWNOFSA-N 436.358 2.400 30 10 IEEE CC1(C)OB(c2cccc(-n3cnc4c(I)ncnc43)n2)OC1(C)C 2266744969 IELQXBQFYYJGSN-UHFFFAOYSA-N 449.061 2.114 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267154148 GPXUEUXNHYMNKJ-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267161852 ICSKWWJWJGAWLK-GOEBONIOSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267268050 PEEQOCIQVTZUSC-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267591726 HHHFQUVSISUSPS-QFIPXVFZSA-N 446.357 2.199 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268631031 SAGYFHJWIAUTJI-JKSUJKDBSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2312857197 YLDQLDSPXPJLNL-KBRIMQKVSA-N 431.342 2.442 30 10 IEEE O=C(O)c1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)cc1 2328531339 QFBLGAKVVPNAKC-UHFFFAOYSA-N 427.442 2.442 30 10 IEEE COc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)cc1O 2329175741 ZEROJNDKTGRHSO-UHFFFAOYSA-N 427.486 2.073 30 10 IEEE CCCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CN(C(=O)OC(C)(C)C)C1 2337202219 GNOTVWKFZHNSRT-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE COc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 22945865 JOYMOGQOSJWTFZ-HNNXBMFYSA-N 427.432 2.443 30 10 IEEE C#CCN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 111045997 JBTVVBHCPRMZOQ-WBVHZDCISA-N 431.539 2.141 30 10 IEEE COCCCN/C(=N/N)Nc1ccc(I)c(Br)c1 302355373 JEEIWISEGQJYPZ-UHFFFAOYSA-N 427.084 2.321 30 10 IEEE CCC1(CC)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CCS1(=O)=O 425992976 IVQYUCNJOQYPKC-UHFFFAOYSA-N 438.594 2.241 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@@H]2CCCO2)o1 461145600 BGYGSUAJDRLMRY-RDJZCZTQSA-N 434.504 2.402 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cn1 462098774 PWPXDLXAVSRIDY-UHFFFAOYSA-N 444.499 2.364 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nc1C 472048401 QBEDOQASYTZTOR-CQSZACIVSA-N 445.549 2.135 30 10 IEEE CCCOc1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 472092039 FUTHOMNXAKTUOQ-UHFFFAOYSA-N 426.521 2.429 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 472289318 BBZWCYCKPDZXQS-DENIHFKCSA-N 442.541 2.260 30 10 IEEE Cc1nccc(NCc2cccc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2)n1 472998207 FRJJSHRKGGADOD-UHFFFAOYSA-N 430.516 2.273 30 10 IEEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccsc1 479395537 HOJGIIXDUKCXPM-UHFFFAOYSA-N 433.514 2.373 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 482179758 MSOLCVBIPGPYBW-OAHLLOKOSA-N 431.489 2.434 30 10 IEEE C[C@H](C1CC1)n1nccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 482476927 LSYSYCZXYWXHFT-OAHLLOKOSA-N 428.518 2.264 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)c1 485861984 YXKIAHFRSAJHEC-UHFFFAOYSA-N 430.526 2.483 30 10 IEEE N#CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 489434787 UATIKXJISOIITN-MRXNPFEDSA-N 426.336 2.364 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC)CS(=O)(=O)c3ccccc3)cc2C1=O 503588598 KKTZFJGHPTVEFH-INIZCTEOSA-N 426.494 2.451 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 505799913 XNEVPYQCLHTUAT-HSZRJFAPSA-N 446.523 2.242 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)CC2)c1 506039383 XOCRQYWOFJZOJC-UHFFFAOYSA-N 446.555 2.409 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 508915213 WJNLOGCKNUSBOC-UHFFFAOYSA-N 440.592 2.467 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Sc3ncccn3)cc2C)CC1 522842980 XBGKEDVQWSCERL-UHFFFAOYSA-N 426.546 2.388 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)CC1 524496493 QROIMRXYKKADSH-OYRHEFFESA-N 441.620 2.294 30 10 IEEE CN(C)CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 524587176 ISAZEGYLXUPOSV-UHFFFAOYSA-N 432.521 2.149 30 10 IEEE N#CC1(CS(=O)(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCCC1 546770164 VZLLVQBEVRQDLE-FQEVSTJZSA-N 431.606 2.329 30 10 IEEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nc(C)cs1 609213809 IKRYHETUQHTKNE-MRXNPFEDSA-N 433.559 2.490 30 10 IEEE N#C[C@@H](C(=O)c1ccc(-n2cncn2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 614438637 JKBUNSBOKUHQAB-FQEVSTJZSA-N 440.467 2.175 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]1C(=O)OC(C)C 735833328 ZCFDPYNALJJKTJ-IRXDYDNUSA-N 435.546 2.227 30 10 IEEE C#CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@H]1CCOc2ccc(Br)cc21 746260747 ZLDACXHORJZNNK-AWEZNQCLSA-N 434.290 2.065 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC#Cc2ccccc2Cl)cc1 746960368 XTBBCHPHEGFWEH-UHFFFAOYSA-N 435.885 2.390 30 10 IEEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 774210714 BRORIYAUCFWVAM-QZTJIDSGSA-N 441.594 2.292 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 776265236 PGGIZGHRSRYFPS-HUUCEWRRSA-N 429.464 2.116 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134736 RXAYDUWEHLIHDW-KRWDZBQOSA-N 447.564 2.412 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 786841355 IOEZAUYWVIXKFI-INIZCTEOSA-N 431.963 2.330 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cc(OC)c(OC)cc1C 789969298 YUSZHFDSBSDHMX-UHFFFAOYSA-N 430.534 2.490 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802550774 GZSHTISRFXVDKV-FQEVSTJZSA-N 435.532 2.457 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H]2CCCO2)CCN1C1CC1 802685130 WAAPCTSTSGMWRP-YADHBBJMSA-N 444.543 2.486 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)cc2-c2cnn(C)c2)c1=O 802723257 FQCVIWLTEXAMGL-UHFFFAOYSA-N 442.544 2.124 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 803525118 GPQRSFHCUBPUGZ-JOCHJYFZSA-N 440.565 2.391 30 10 IEEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c2cnn(C)c2n1 1125203039 RODMUAFQDGUFSR-HKOYGPOVSA-N 426.502 2.342 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cccc(C(F)(F)F)n3)C2=O)cc1 1129010434 SILFFHUYFVWBAB-HNNXBMFYSA-N 431.374 2.493 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)n(C)c1 1129500812 WLLLMOYXGFISKL-UHFFFAOYSA-N 432.546 2.216 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)C1=O 1133693830 QXRQUGONGOWYPS-HXUWFJFHSA-N 448.317 2.350 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(-c2cccc(Br)c2)no1 1144429036 KOJARHVUYNCADO-FBMGVBCBSA-N 431.246 2.360 30 10 IEEE CCOC(=O)[C@]1(COC)CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1193723377 BCMCTLOPYFJZCJ-OAQYLSRUSA-N 440.462 2.465 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(OCCOC)CCOCC1 1286289352 LTZKIXIQBIBPBP-QGZVFWFLSA-N 442.516 2.344 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCS(=O)(=O)CC 1286338095 FTGYOVWNBUADSG-UHFFFAOYSA-N 431.562 2.432 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnc2n1CCC2 1286458988 GCUXWPGFWPOZST-UHFFFAOYSA-N 443.458 2.219 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286475740 HQERVJLMHVIRJZ-PXNSSMCTSA-N 429.952 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](CC)OC)CC1 1286489011 BPXGJADJBHDFMD-SFHVURJKSA-N 439.516 2.065 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286504893 RWOZQSGZNCWCMU-ZWKOTPCHSA-N 427.578 2.250 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286508389 LGYUCAKSZUFQFD-IBGZPJMESA-N 439.585 2.249 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286612276 CBJHQOONTOEIIW-AZUAARDMSA-N 425.533 2.473 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286682127 DZNQJGXWJLFMGZ-JOCHJYFZSA-N 435.536 2.240 30 10 IEEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286690586 MBXNBYHBWJIWNM-UHFFFAOYSA-N 428.581 2.294 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](CO)O1 1286744240 GBYQRFWCTHIBFY-ZWKOTPCHSA-N 431.512 2.288 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286774895 OQIWFCWVGSMUKO-KRWDZBQOSA-N 445.568 2.135 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1286790231 OPXWPZCYIMESLK-UHFFFAOYSA-N 428.512 2.007 30 10 IEEE C=CCOC[C@@H](NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)C(=O)OC 1297029394 GOOYTFSXFDYPSQ-SJKOYZFVSA-N 432.420 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCC1=NNC(=O)C1 1298791833 AZDVSLQKOUDEPE-IBGZPJMESA-N 425.489 2.165 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1299303791 WONOYUMCGPKWCS-OKILXGFUSA-N 438.504 2.093 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300506209 PCYAMGCOCKRZFO-IEBWSBKVSA-N 432.521 2.138 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300622242 YWBDCEJXXBXFHZ-KRWDZBQOSA-N 440.573 2.178 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1300622493 ZWIDMSDBYVFGKK-KRWDZBQOSA-N 435.532 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCC(=O)N(CC)CC)CC1 1300723525 VNCWBMAIEDURIH-UHFFFAOYSA-N 428.581 2.160 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1300974861 OASVUCNZWSCRIL-OAHLLOKOSA-N 449.353 2.439 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC)C1CC1 1301327008 KSGMKXPEENKYTD-INIZCTEOSA-N 432.546 2.401 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1301634273 HIWLMCIMXFSRAN-QFIPXVFZSA-N 440.573 2.132 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1302597017 NXXCHEUBNITHPO-HNNXBMFYSA-N 436.555 2.088 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1303360225 MBICRIQUUABRKR-VGSWGCGISA-N 430.553 2.275 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C 1305078468 HVRQOJNLZLYGPV-SJORKVTESA-N 443.573 2.239 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1305349732 UEEZKQSQOQVKSH-XLNTUCKNSA-N 441.532 2.238 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(F)(F)C(F)(F)C3)nnc12 1306855465 ZBUQLMMDFYYPOZ-UHFFFAOYSA-N 441.410 2.435 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(C(=O)OC)c(NC(C)=O)cc2Cl)CC1 1311191386 SVFRKAGGPNQNDW-UHFFFAOYSA-N 434.880 2.078 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1312829593 HBPALKIDJYSIMW-ROUUACIJSA-N 444.536 2.175 30 10 IEEE CCOC1CC(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1314240591 QDNQBHQVFVVIBN-LFDKBHOUSA-N 446.596 2.038 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1314933505 CSHKVJRMHBELFD-SFHVURJKSA-N 449.559 2.084 30 10 IEEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 1315042571 AISBOPUYAPBJBR-SFHVURJKSA-N 434.342 2.312 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1315066052 YVQLJSVILYZFRB-SFHVURJKSA-N 446.577 2.150 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cc1 1315412434 AUMPQJLCNCPLCX-LJQANCHMSA-N 441.513 2.480 30 10 IEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1316359642 HXRHGGLJYXCPMC-UHFFFAOYSA-N 441.344 2.265 30 10 IEEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1316438028 FLUKYPJECFFOAX-VXAPJYQHSA-N 446.577 2.030 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N3CCSC3=Nc3ccccc3OC)CC2=O)cn1 1349654471 AIKGZKUEQFRFHI-OAHLLOKOSA-N 443.529 2.154 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccn(C3CCOCC3)n2)c1 1357485112 XPRILSAMTVNRNP-FCDQGJHFSA-N 431.518 2.300 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1358870137 GMBNPYJPCNCBOL-KURKYZTESA-N 439.564 2.271 30 10 IEEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1358920368 XTYAPIIQHGCYMD-IBGZPJMESA-N 438.580 2.158 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1358937069 HITSTSCQPQFLFM-IBGZPJMESA-N 442.564 2.241 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1358953500 ZKRRLAUPGZJQPM-LJQANCHMSA-N 430.516 2.201 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CC1 1359015760 DJUWEGPNELRAMW-UHFFFAOYSA-N 440.504 2.091 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(CC)cc1 1359024237 IRACCJJHQUCYIP-HXUWFJFHSA-N 430.574 2.071 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(N(C)C)Cc2ccccc2C1 1359025978 GCMTZNMHNRFRLO-UHFFFAOYSA-N 444.583 2.449 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccs2)N(C)C)CC1 1359036584 AHHSLPFLRPVDCP-HXUWFJFHSA-N 435.601 2.384 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)nc2)CC1 1359039837 YBPUAPWOKLGPDV-UHFFFAOYSA-N 449.534 2.261 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359058445 DKXXEIBFNMEPOD-NPPFBWRTSA-N 427.574 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1359064634 XJCOIOPBYHYHAV-MGPUTAFESA-N 435.525 2.099 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(C)C)C1 1359092330 ZMZUTVOSQROASD-XDNAFOTISA-N 425.599 2.352 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359134149 LTXRRADEPLZKSK-UHFFFAOYSA-N 441.580 2.280 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1360331355 UBVYVZCDBHSRIC-JPYJTQIMSA-N 444.580 2.363 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1360482336 AQDOTAXGNXHMSR-HRCADAONSA-N 429.529 2.079 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCCN(c3ccccc3C#N)CC2)cs1)C(N)=O 1443204748 KQTARIKLDHMWJL-CQSZACIVSA-N 429.571 2.262 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 1452991138 MABAWMKVVMBZPT-DNVCBOLYSA-N 429.498 2.198 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)O1 1460822005 PZXBKQXPVNKYQR-XUVXKRRUSA-N 440.462 2.068 30 10 IEEE C[C@@](O)(CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1Cl 1460883433 RBOCYOSWMCDORW-IUIKQTSFSA-N 433.755 2.180 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1461712336 NJFYIRZIVZHPKL-SUMWQHHRSA-N 428.348 2.404 30 10 IEEE Cc1ccc(C(=O)NCc2cccnc2N2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1464006503 MMMOYPHSRHLUBI-UHFFFAOYSA-N 437.349 2.456 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC(C(=O)OC)=NO2 1466829355 GENOZIHRSYOVQA-CYBMUJFWSA-N 429.901 2.333 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cc1 1470953619 HWERNCANDFMKJA-SAABIXHNSA-N 449.573 2.411 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C(F)(F)F 1471161874 OROHVIMKCINTOD-LSDHHAIUSA-N 433.452 2.460 30 10 IEEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)nn1 1474314412 PVTBMVDRCQGYJB-UHFFFAOYSA-N 425.942 2.023 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1c(Br)cc(F)cc1Br)C(=O)OC 1475378390 NXGJVVRFAKFZIN-SNVBAGLBSA-N 443.088 2.194 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccccc1Cl 1505000059 PDJOPVPGQUKKRJ-XFQAVAEZSA-N 449.939 2.292 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nnc(C)s2)C[C@H]1OC 1505123858 GDZUVADVVLBQSK-HDICACEKSA-N 439.545 2.460 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507556726 DCQBMJOSWARILJ-LJQANCHMSA-N 431.500 2.093 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1507623056 OLJRSIVAVGCQHN-KRWDZBQOSA-N 432.546 2.094 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC(C)(C)C1 1507644515 JVLISTFZXAVLAE-UHFFFAOYSA-N 443.559 2.116 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507749854 ZEIPASYXUMEDOB-IBGZPJMESA-N 432.937 2.391 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1507936943 MMDAJBGXSWFKHS-UHFFFAOYSA-N 443.515 2.485 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 1508076048 RQBXALZENAHDOP-OAHLLOKOSA-N 446.939 2.042 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2OCC)CC1 1508081362 JXGONTMVEGBEND-UHFFFAOYSA-N 449.559 2.311 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1508090676 IGMXUFLMJDYWQM-KDURUIRLSA-N 441.532 2.018 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(C)ccc2F)nnc1[C@@]1(OCC)CCOC1 1508093236 HNNHOSXONLMKRT-JOCHJYFZSA-N 431.512 2.316 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C 1508098574 QDOVXEFGFJAMRA-UHFFFAOYSA-N 442.539 2.369 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)N(C)C 1509105433 AVUBIJQTUAKZIV-VQTJNVASSA-N 437.548 2.434 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1516607039 CHNYLESPDITJMY-SFHVURJKSA-N 427.509 2.122 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2=CCCOC2)cc1 1521101606 DYULLJDLEBCLMS-SFHVURJKSA-N 436.516 2.167 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)OCc1cc(Br)cc(C#N)c1 1524919197 UWRPLHHDQPGBEV-UHFFFAOYSA-N 425.279 2.460 30 10 IEEE CN(C)S(=O)(=O)C[C@@H](OC(=O)Cn1nc(C(F)F)cc1C(F)F)C(F)(F)F 1534729267 HZRMASXGSOZLAC-MRVPVSSYSA-N 429.314 2.124 30 10 IEEE C#CCCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539087718 YKKBDWRTTKSJOM-QHCPKHFHSA-N 439.564 2.239 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)c2nccs2)CC1 1539489777 NGLMROMZQJEXMY-DOTOQJQBSA-N 428.562 2.356 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC 1540119548 DHVOMKNLBKRGQI-UHFFFAOYSA-N 444.499 2.126 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](CC)C1 1540875594 QTQUVAXWSIUFDQ-DLBZAZTESA-N 429.521 2.172 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCc3cccs3)CC2)s1 1543871815 OYUOCMMYNIUYMV-UHFFFAOYSA-N 439.628 2.203 30 10 IEEE CCN(CCn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1547584989 GZADARVCLQVTQQ-MRXNPFEDSA-N 429.525 2.269 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](OC)c2ccc(F)cc2)CCOC1 1547918678 GTTDNEHKDRJWHH-XQBPLPMBSA-N 445.495 2.186 30 10 IEEE COCCN(C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1555528958 YVIJYOZEQQGXFB-UHFFFAOYSA-N 440.596 2.038 30 10 IEEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OC 1558384033 SUIIDGZUPTVWQE-FOIQADDNSA-N 439.871 2.260 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1F 1564928519 BUIRBMRAPYPLTI-UHFFFAOYSA-N 438.431 2.192 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1564963685 CJMPAHVARZSIIG-LJQANCHMSA-N 441.509 2.346 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 1570833952 PEMRNMOWOAMERY-GOSISDBHSA-N 447.451 2.471 30 10 IEEE C=CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1 1584636278 ZFTAOGRBJUICBX-UHFFFAOYSA-N 433.574 2.305 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1587711897 IMWQVKMWNWDXHQ-UHFFFAOYSA-N 440.367 2.084 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1587798366 IHIBAGVMRCAZEA-FKBYEOEOSA-N 444.624 2.022 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588060116 ZYESFGCMXPQZJF-IBGZPJMESA-N 430.574 2.491 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 1588115046 LIKOOYZCOKSTEY-INIZCTEOSA-N 434.537 2.054 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1594788982 WLRIZTIBSHDUPR-GOSISDBHSA-N 449.533 2.459 30 10 IEEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1596727991 BHVFKFNJPYBKMA-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)cc1 1597228958 RTTUTPMCZYHSKE-UHFFFAOYSA-N 437.481 2.168 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1618905619 UZZOXSIGVGLQHF-GOSISDBHSA-N 440.504 2.044 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1(C)C 1619533875 JGGFOJOLFPIYJU-XXBNENTESA-N 441.532 2.395 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1620071315 KREURMUAZJAPMW-UXHICEINSA-N 438.532 2.117 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1620437272 WSSFMBFWMLDXKN-OAHLLOKOSA-N 432.571 2.397 30 10 IEEE N#Cc1ccc(OCC(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)cc1Br 1625262557 CUBXVBHGRLWJSL-UHFFFAOYSA-N 444.245 2.036 30 10 IEEE CCOC(=O)C1([C@H](C)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCOCC1 1627074791 QSBNQUJFJJNCKC-HOTGVXAUSA-N 425.526 2.438 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1633175782 PNXRNJXVLWWDTJ-HOCLYGCPSA-N 433.368 2.195 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 1635346888 UDDFHDXSSUWWOO-UHFFFAOYSA-N 449.510 2.173 30 10 IEEE C=CCOc1ccc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1OC 1642526960 JVQIJGYFRORXQS-UHFFFAOYSA-N 438.477 2.198 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](OC)CC[C@H]3C)nnc12 1651185558 CSZIEXCEPBQAAH-CABCVRRESA-N 427.530 2.348 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)c1cccc(C#N)c1 1654984795 SZZAWKXFTVJJDQ-GOTSBHOMSA-N 435.503 2.072 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C(=O)OCC 1664947707 QHEWTVMLNVKQHO-CYBMUJFWSA-N 444.358 2.237 30 10 IEEE C=CCN(C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1667075905 KBBHLNADLZEIMY-INIZCTEOSA-N 441.550 2.161 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 1683711528 JHIKYXAJWOZWMN-AYOQOUSVSA-N 432.542 2.389 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1686847973 RGTJCWRGBVAEEP-GUYCJALGSA-N 431.917 2.086 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1689893544 ZXBCXWUEVUPUEN-MOPGFXCFSA-N 449.621 2.431 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCNC(=O)OC(C)(C)C 1689944078 JYWJSYLCRXJROV-UHFFFAOYSA-N 427.509 2.300 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689986435 PYEOHHROSQITST-MRXNPFEDSA-N 445.495 2.421 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnccc2OC)CC1 1690117426 HPLIZQAOMPKKME-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCN(C)CCOC)CC1 1690119438 FPPUJIQCPYDUIX-UHFFFAOYSA-N 447.587 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1690245304 GQQLKQNONHVASK-QRVBRYPASA-N 432.569 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690245664 LHDDCWCRUOHBJD-TXVWBRJLSA-N 433.597 2.309 30 10 IEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1)c1ccccc1 1690442666 YHRJVFRLYQKEQM-XLIONFOSSA-N 447.605 2.457 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCO[C@H]1C 1690624142 HPUXQBNLIKGPOS-FDDCHVKYSA-N 425.533 2.460 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](CC)C2)cc1 1690679334 QXLZMYMCOMFWTC-SJLPKXTDSA-N 449.577 2.117 30 10 IEEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1693392757 IEIQPYBLOJLENG-SFHVURJKSA-N 430.516 2.250 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](OC)C2)CC1 1695897169 LEDBTTPMPVSWSV-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1696383673 CNTDZVRVYVHIMY-AUSIDOKSSA-N 441.532 2.397 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1696647228 NDRWIJKPOVTHBV-QZTJIDSGSA-N 429.546 2.398 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1696905606 UPZLQSMKJNNVBN-KRWDZBQOSA-N 440.548 2.221 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCCC2)c1 1705541464 JSFJIJAOYLZYMT-MRXNPFEDSA-N 446.577 2.113 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1ccc(OC)cc1 1705600920 QFIRRSKLGBILLC-LJQANCHMSA-N 435.528 2.340 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCn1ccnn1 1705622405 HSMCZUDNKDEGMB-UHFFFAOYSA-N 444.337 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2oc(CC)nc2C)CC1 1705650374 QLIDKBBPNZIIBR-UHFFFAOYSA-N 447.543 2.137 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@]2(CCOC2)C1 1705654272 BLGVSSCJGFRGSM-HXUWFJFHSA-N 429.502 2.215 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705654769 SPMXHHKYOSROAW-GOSISDBHSA-N 435.513 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705693536 HSACKRONMQSLFA-SQNIBIBYSA-N 448.568 2.112 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1705694214 PLCYNZORVMBGGQ-CVEARBPZSA-N 444.502 2.082 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705739505 IOTBTZFEWMEFPI-LJQANCHMSA-N 438.532 2.284 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1706743904 HEUQBGQGESLIMO-MRXNPFEDSA-N 442.487 2.293 30 10 IEEE CCN(CCc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1710131295 ZLFVGVRONAWDSK-MRXNPFEDSA-N 442.545 2.470 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCc2nnc3n2CCCCC3)CCOC1 1710415884 DYQFBWKCBZFSKN-HTAPYJJXSA-N 442.568 2.229 30 10 IEEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1710820595 GCTUASDRMSDZDE-UHFFFAOYSA-N 426.521 2.372 30 10 IEEE CN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1711096236 LDFSVUYMWUKGEK-IDYLYPCZSA-N 440.479 2.432 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722320307 VQOCIRPJKZAQIN-LJQANCHMSA-N 437.548 2.144 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1722359940 XQHBJZLTLICNCL-LPHOPBHVSA-N 430.574 2.304 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1722413923 SRQBYNHRLYCMMQ-VQIMIIECSA-N 449.552 2.013 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1722685570 GEMKNMQMMKMIHL-IRXDYDNUSA-N 431.541 2.161 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC(N2CCNC2=O)CC1 1722708422 SOQBYXPHFCONQB-UHFFFAOYSA-N 440.548 2.422 30 10 IEEE C=CCSCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722740300 SLZFPNRGZMOCAP-MRXNPFEDSA-N 428.566 2.111 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1CCO[C@H](C)C1 1727602311 ARNZVEVPDWQVEB-AEFFLSMTSA-N 426.569 2.286 30 10 IEEE CCCOc1ccc(Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 1728220960 AZVFHGDKHPSSNS-QGZVFWFLSA-N 447.547 2.449 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)C1 1730807018 RZJGQPZCVGLNJR-DLBZAZTESA-N 428.537 2.357 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCOCC2)CCO1 1731188315 DORXAORCLDTYFZ-QGZVFWFLSA-N 432.912 2.308 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNC(=O)C(C)(C)C)c1 1740563828 YKECHYDUJGMEJR-UHFFFAOYSA-N 447.543 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccco2)C1 1740992765 NIBVHQRHPIFTQV-LJQANCHMSA-N 443.529 2.036 30 10 IEEE CC[C@H](C)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1\N=CC=CC1=O 1743578844 IDMJMHQDQRTRIZ-LZICOFPGSA-N 446.552 2.153 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1746565324 HXAXMHWSYZGDNT-IAGOWNOFSA-N 427.509 2.230 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)F 1748638041 IFYRQIOJWCYGEP-CQSZACIVSA-N 441.442 2.471 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cnccc2OC)c1 1748692438 HNBDHMKWSKIPPJ-GOSISDBHSA-N 446.511 2.290 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1748743561 GPXIUZCPLYOSAO-UHFFFAOYSA-N 445.527 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1c(C)nc2ccccc21 1748888063 NENPFUYWUZBFOH-FQEVSTJZSA-N 429.528 2.441 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1 1748892320 NNMSDFYUIRQVIU-MRXNPFEDSA-N 431.587 2.271 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1 1748953626 QOLONIBQOYHHOU-UHFFFAOYSA-N 439.560 2.187 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(CCC)C1 1748956998 REWFVWNMQCDRBA-GOSISDBHSA-N 425.533 2.492 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(C)cc1 1748962849 SCDYVELHDWVLMI-OALUTQOASA-N 446.573 2.042 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC)c2)CC1 1749009292 HKCFEUOADMAVDQ-FQEVSTJZSA-N 437.544 2.195 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749256915 GHMBXBPEVAABEE-UHFFFAOYSA-N 427.896 2.420 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccccn2)CC1 1749672484 VTXXTMZPHLBQFT-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE CSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)ccn1 1750269725 HMMBOJGKSFMPIE-UHFFFAOYSA-N 449.540 2.220 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCc2ccccc21 1750948098 DYIQNUZWZVSTOX-QFIPXVFZSA-N 425.512 2.311 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1760249564 OEWPEDSMRHFZFG-JOCHJYFZSA-N 437.588 2.357 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(CC)CCC)CC1 1760268352 IDDNIKHPOGGPLG-UHFFFAOYSA-N 437.592 2.346 30 10 IEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1760438117 YZUBLSNDNMXZGW-UHFFFAOYSA-N 435.532 2.481 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1760608582 HIVXCQDKDKCTFI-HXUWFJFHSA-N 433.516 2.381 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760804929 CJWZGZXIWPVDPS-WJOKGBTCSA-N 441.605 2.371 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1763721547 ANXUTMRGHFHXAR-CVDCTZTESA-N 437.548 2.408 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1768339667 LTJWOCABSZIMDW-INIZCTEOSA-N 446.939 2.498 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C(C)C)N1CCOCC1 1770172464 KSNLAHMQAFXATD-HAGHYFMRSA-N 434.585 2.097 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccsc1)N(C)C 1771305317 ZDZOAVGDMUMUDR-NQYYFHDYSA-N 446.577 2.095 30 10 IEEE CSCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771483601 UZSUUXYPBLKLOE-KRWDZBQOSA-N 449.588 2.394 30 10 IEEE COc1ccc(-c2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)n[nH]2)cc1 1851501507 SSERYOSYJIHGGQ-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE CN1CCC[C@H](OC(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)C1 1851975978 HEJBUJYXDAPTBF-PZJWPPBQSA-N 427.526 2.085 30 10 IEEE COc1ccc(CC(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)cc1 1857084378 HRNAMSZJOJKKTG-OAHLLOKOSA-N 427.482 2.107 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)ccc1O 1862630071 LSCVSWRRNKPTFR-HXUWFJFHSA-N 440.452 2.269 30 10 IEEE O=C(NCc1ccc(O)cc1)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931913 LTRLXFMCNMUBKR-FQEVSTJZSA-N 435.505 2.358 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC(CO)CC3)ncnc2n1CCCOC 1873558312 AJHHLGHODQRPTN-UHFFFAOYSA-N 427.549 2.491 30 10 IEEE C=CCn1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c(N(C)CCO)ncnc21 1873663791 MOHJOGLTGVOHJC-UHFFFAOYSA-N 441.488 2.324 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)cc1 1874337822 OIWKSFTYOWCNSD-LKKXKRCMSA-N 431.518 2.158 30 10 IEEE Cc1nc(I)c(I)n1-c1cc(C#N)cnn1 1936397003 KNWLMCSFMSWCQM-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C#CCN(CCOc1ncnc(I)c1OC)C(=O)OC(C)(C)C 1986463580 KWJGTSTZNYMONV-UHFFFAOYSA-N 433.246 2.339 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1991906932 NSHFJOQMDYTCIA-NRFANRHFSA-N 427.542 2.336 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010545487 WAWJJTCPQXNVJE-DNVFCKCGSA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060633897 STEMOJABSFJJLO-KBPBESRZSA-N 436.293 2.062 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254751364 KLUTZNKELBHCMP-UKRRQHHQSA-N 438.305 2.438 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)C1 2255191061 BGUXYRMQKNANAT-XWGIXXMPSA-N 440.588 2.226 30 10 IEEE CC(C)N(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255627492 UFDUSDWVJYUAOI-UHFFFAOYSA-N 436.362 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255700162 YQFGLVHUMYWSCB-SJORKVTESA-N 432.326 2.008 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2255702522 HNQZHJWSMVCODZ-SFHVURJKSA-N 426.322 2.210 30 10 IEEE Cc1c(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832597 OJICWSFBQBHUQJ-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CCN(CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2255839451 WDSGTHNEMBZVEL-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256885789 DKVCLIHVCQLLPQ-CZUORRHYSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2256885903 WAKMVMKFIRRSEF-OAHLLOKOSA-N 437.321 2.250 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267493899 AMVYOGLIEVIUKG-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508868 LRLHPLGFJHAFJZ-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1CCNC(=O)OC(C)(C)C 2267518698 GOGYHDJDKCXUBT-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2267592217 KTJSCYWWIZVSPP-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871746 DPGJNZZNDMTXME-PKOBYXMFSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268634730 JWODRNSUQDEBQO-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)nn1 2268647360 OAGSOPFQRMXLJY-MRXNPFEDSA-N 447.345 2.171 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268688711 TYOMZUYVJXOHKL-GOSISDBHSA-N 446.353 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)C#Cc2ccc(Br)cc2)C1 2278799664 JTVQVUCDODXRGJ-INIZCTEOSA-N 442.331 2.404 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@H](N)C#Cc2ccc(Br)cc2)C1 2278802877 YZCUDQAROYJBKA-IKGGRYGDSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)[C@H](N)C#Cc2ccc(Br)cc2)C1 2278802911 YZCUDQAROYJBKA-ZACQAIPSSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278809676 PCDMABIJKGBIHI-CRAIPNDOSA-N 443.363 2.210 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccc2F)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296937061 KAMGIXZVNZWDHB-GOSISDBHSA-N 430.388 2.165 30 10 IEEE CC1(C)OB(c2cc(=NC[C@@H]3CN(Cc4ccccc4)CCO3)[nH]cc2F)OC1(C)C 2322293914 MMQYLQUCEFBZMP-GOSISDBHSA-N 427.329 2.255 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203545 ZBXDCWBQKCYOCU-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339298045 QQGPDUIIRVERQP-QFBILLFUSA-N 443.353 2.497 30 10 IEEE NN[C@H](C#CC1[C@@H]2COC[C@@H]12)c1cc(Br)ccc1I 2341629064 NQJQFPBHUFPTLM-SGMGOOAPSA-N 433.087 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H]2COC[C@H]21 2345723874 FBKBSUYNHKHHKB-DLBZAZTESA-N 449.332 2.344 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@](NCCC#CBr)(C(=O)O)C[C@]12CCCOC2 2349198475 JBVZFMKKLUZGAK-ZWKOTPCHSA-N 431.327 2.335 30 10 IEEE C#CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 9150871 JSGQAJHZFADUHP-MRCUWXFGSA-N 430.507 2.498 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCN(c2cc(C)nn2C)C1=O 427127052 SLYZCCJEWGGEAQ-QGZVFWFLSA-N 429.594 2.432 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CCC1 430992185 SMXDBJFCIURKFC-UHFFFAOYSA-N 449.374 2.249 30 10 IEEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 438751673 IYHOAFRFPLAIKM-MSOLQXFVSA-N 430.530 2.075 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 446526837 AKFWKSHGSOAKNB-UHFFFAOYSA-N 441.557 2.188 30 10 IEEE COc1cccc(N2CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)c1 464948896 FZEPEDMJFYBEPJ-QZTJIDSGSA-N 435.532 2.103 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(=O)OC(C)(C)C)c3ccccc3)CC2)o1 471226065 JKGLMJRIKAYUDH-UHFFFAOYSA-N 439.516 2.352 30 10 IEEE COCCN(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)Cc1ccc(C#N)cc1 533402525 UQASBFPKSNGLRG-UHFFFAOYSA-N 434.540 2.428 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 549691303 BSJYHSQIDVFFCY-KNQAVFIVSA-N 436.520 2.271 30 10 IEEE CCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 567920743 QNGZVNBSDXJKOJ-UHFFFAOYSA-N 436.541 2.337 30 10 IEEE C=CCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(F)(F)Oc1ccccc1 573021209 OXWRUWKIMPLQHS-FQEVSTJZSA-N 446.458 2.407 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 611199249 BQNSMGKQGGUKIN-OAHLLOKOSA-N 447.499 2.054 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(-n2cncn2)cc1 611433167 OEFQEVXUNPBWNG-MBSDFSHPSA-N 447.518 2.466 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 619510140 UNSKZHFJLXZYJQ-HXUWFJFHSA-N 433.512 2.210 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCOC1 676727488 ULXIPSGYWBYHGL-CQSZACIVSA-N 428.941 2.472 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725767847 GHAUMHRAFXVUHZ-VWLOTQADSA-N 445.523 2.486 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccoc2)c1=O 727416873 RGJGBSDEYZXHIM-UHFFFAOYSA-N 426.469 2.454 30 10 IEEE Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732708831 VFSHYCQHQOUMGW-FQEVSTJZSA-N 431.496 2.385 30 10 IEEE C=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C(=O)OCC 734026368 LPHSXJOFRIHPGZ-UHFFFAOYSA-N 447.465 2.170 30 10 IEEE COc1cccc(CC(=O)N2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)c1 739841840 YRILUAJYPBTMNA-UHFFFAOYSA-N 430.512 2.478 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 742194082 QKZLAXWGRPMGTB-RUZDIDTESA-N 443.507 2.037 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 747971618 QEOQYXWJROSGFA-LRSOKBAUSA-N 434.440 2.030 30 10 IEEE Cc1cc(Br)cn2cc(CCNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)nc12 754265549 DVQXOQXASFHHQP-QGZVFWFLSA-N 431.338 2.330 30 10 IEEE COc1ccc(-c2nc(SCC(=O)N3CCOC[C@H]3C3CC3)nc(O)c2C#N)cc1 765528403 HJXPMCJQGADPDM-KRWDZBQOSA-N 426.498 2.459 30 10 IEEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1 765545277 SZEJPXLMRSQHHC-LJQANCHMSA-N 442.589 2.182 30 10 IEEE CS(=O)(=O)c1csc(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 767846235 HYOUORIBYCZMNA-UHFFFAOYSA-N 430.467 2.004 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768044587 INPOXJJPKFHIJT-JDNHERCYSA-N 440.369 2.432 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CN(C)Cc1ccco1)[C@H]1CCS(=O)(=O)C1 774227003 NRDHJUKNLSAQCS-FQEVSTJZSA-N 429.542 2.244 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCC(C)(C)O)C1=O 774290905 GDJGSUNKPHOFKR-LJQANCHMSA-N 446.617 2.336 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1C 780848794 RHNKQUCNZKTKPC-OAQYLSRUSA-N 441.553 2.358 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2ccc(C#N)cc2)n1 792988195 TWADEINMDRMIKO-LJQANCHMSA-N 445.527 2.179 30 10 IEEE C=C(Br)CNC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 804668321 OZEBEIIEGAITGC-AWEZNQCLSA-N 426.311 2.393 30 10 IEEE Cc1nc(SCC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c(C#N)c(C)c1C 1130215858 OYPVBOMQPFRTQJ-HNNXBMFYSA-N 431.539 2.322 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 1130824188 FDMFXCPEUMEQSS-UHFFFAOYSA-N 426.922 2.152 30 10 IEEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)ccc21 1132786818 BJGPILPNLPLIGI-UHFFFAOYSA-N 442.479 2.081 30 10 IEEE C[C@@]1(c2ccc(CNC(=O)Cc3ccc(Br)cc3C#N)cc2)NC(=O)NC1=O 1136557250 XNORJKIFZADZCL-FQEVSTJZSA-N 441.285 2.234 30 10 IEEE C#CCN(CC(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)OC)C(=O)OC(C)(C)C 1142335989 QJVQHFJWTNDWQI-GOSISDBHSA-N 432.517 2.404 30 10 IEEE Cc1ccc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1142437683 AKCVJGVFIZHPHG-PBHICJAKSA-N 435.546 2.237 30 10 IEEE C#CCN(C(=O)CN(C)S(=O)(=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1155358840 GXFHOHQBZLIKLY-UHFFFAOYSA-N 449.573 2.168 30 10 IEEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1NC(=O)OC(C)(C)C 1159490640 SILORCSDVXEDCC-UHFFFAOYSA-N 425.445 2.173 30 10 IEEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1181748175 QGVJEDWPENXXQK-UHFFFAOYSA-N 431.352 2.105 30 10 IEEE C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336180 DGENKWSEZQTYHI-HFJQGTKSSA-N 439.537 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1 1286426265 PQUKDYTYUYLIQG-XMSQKQJNSA-N 425.920 2.253 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OCC)CC1 1286472399 HLQZTWZKZDAPHV-XMMPIXPASA-N 439.560 2.132 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286481967 LEVSKZJIUSDCST-XMMPIXPASA-N 434.519 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2cccc(C)c2)CC1 1286490045 GMIDTADDHRAAMK-GHTZIAJQSA-N 448.571 2.307 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1286519459 XNYYNVLUQYYRKF-LBVMUVSTSA-N 432.565 2.362 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286713929 HYUQNDBLACJYPG-QGZVFWFLSA-N 444.511 2.145 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286789143 PHZDCKCMGLAYBA-QGZVFWFLSA-N 443.523 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccn(CC)c2=O)C1 1286815017 ZCZSUJYKYCCXFY-UFYCRDLUSA-N 443.548 2.013 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)COc2cccc(Br)c2C#N)CCCOC1 1287370897 VJPNEXKNGJOSOZ-SFHVURJKSA-N 425.279 2.176 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1291336279 FRLVFSQUFCPVRZ-CVEARBPZSA-N 430.509 2.010 30 10 IEEE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1CCCN(O)C1=O 1298543386 QMPNXABABQPUEQ-CVCOIXHCSA-N 425.557 2.226 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1300602254 BQAVFKXVOKXIDT-XMMPIXPASA-N 439.560 2.275 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1300671275 GYQPUEQYJRODBM-GOSISDBHSA-N 426.521 2.010 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCSC2)CC1 1300690519 CJUOFUFKARNGDH-KRWDZBQOSA-N 427.574 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1300885267 OIEWQCBAUYHCKQ-MLHJIOFPSA-N 438.594 2.165 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1300896381 DVCGBWFGDXZFPR-QTDGGUCWSA-N 447.580 2.016 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCSCC1 1301349259 MFZZAWICCVHEOJ-LJQANCHMSA-N 426.590 2.471 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301416433 GRLXUEFRIWACHE-ROUUACIJSA-N 439.626 2.419 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1301510348 UXBZWYOTMLWOHZ-RTWAWAEBSA-N 444.543 2.186 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1301650485 DXNMSJLFFBHKHB-IBGZPJMESA-N 449.559 2.167 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301921190 SJQNSPFVCZUWRN-UHFFFAOYSA-N 444.543 2.373 30 10 IEEE CC(C)CCN(c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1303057819 OJCJHPWNFZSRNI-YGCDDZCOSA-N 428.537 2.323 30 10 IEEE N#Cc1ccc(C2(NCC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCC2)cc1 1307877392 IWDVUTIEZQCAGZ-UHFFFAOYSA-N 432.524 2.316 30 10 IEEE COCC[C@](C)(O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315973621 GCBBXYJVNLGCKB-QHCPKHFHSA-N 442.539 2.355 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc(-c4cnccn4)n3CCOCCCO)CC2)c1 1316531198 MUWMGGQIADMTMR-UHFFFAOYSA-N 449.515 2.054 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1358882986 LNZVKHMUMNMSCK-AWEZNQCLSA-N 448.936 2.164 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1358906547 LGBDJNIAHWLQCP-UHFFFAOYSA-N 448.527 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1359040445 VFVRRTJBJUIFKF-NTKDMRAZSA-N 443.592 2.270 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNS(C)(=O)=O)CC1 1359158422 QUTOQVSKFHQBID-UHFFFAOYSA-N 446.577 2.243 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCSC1 1359259106 MHCZYGZYAWJASU-QFIPXVFZSA-N 427.574 2.461 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(=O)OC)CC2)cc1 1359307744 UFIUUMNHPSIVIH-IBGZPJMESA-N 439.516 2.232 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1359466464 BRQZUGOQKFBCHP-NGFNCXNUSA-N 448.980 2.368 30 10 IEEE Cc1cc([C@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1361003433 USHIDYPKRCWHEJ-DYESRHJHSA-N 442.545 2.480 30 10 IEEE CS(=O)(=O)C1CCC(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1435002799 SXPLQCWNASVKEP-UHFFFAOYSA-N 426.542 2.358 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 1454471517 XVKNWWOLQCVBOV-UHFFFAOYSA-N 436.537 2.037 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)C1 1455705259 OVJFVAIKGJTJGW-WSTZPKSXSA-N 447.601 2.189 30 10 IEEE C#CCO[C@H](C)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1459548454 UONKETRBQQTZQO-RHSMWYFYSA-N 426.298 2.410 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)n(Cc2ccco2)c1C 1460738488 RNTYWFVPVQDCPT-SZPZYZBQSA-N 444.557 2.313 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1)C(=O)OC 1464254823 KAAJALVZDHXKBY-AWEZNQCLSA-N 434.308 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1467702107 GTWHXECLNNGPAF-FUHWJXTLSA-N 433.530 2.086 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C[C@@H](C)O1 1473641486 PHGFXGJNBUCAAZ-YJYMSZOUSA-N 428.464 2.306 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1476012747 UKAQOPFLUPZZAT-UHFFFAOYSA-N 434.562 2.414 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CC1 1477803506 UCSORTXLFLUYNW-XMMPIXPASA-N 426.561 2.240 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1C 1503248128 FHKSKXVRJSVMHT-APWZRJJASA-N 431.562 2.360 30 10 IEEE CN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1503429368 YAORKMPLUZULHE-XOMICKMZSA-N 428.537 2.467 30 10 IEEE CNS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCC(CC#N)CC1 1503834862 CBVRAEYRENAUEV-UHFFFAOYSA-N 430.578 2.133 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1504930377 GODQYSCMJNKFSC-AEFFLSMTSA-N 449.515 2.221 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1505206997 CIBLWLNNESJSED-CZUORRHYSA-N 438.579 2.123 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCOC3)n1CCCOC(F)F)C2 1505317950 QYRYNNAGDGMGAW-ZDUSSCGKSA-N 434.447 2.336 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1507658732 FYRDCQBNGJNCKM-KRWDZBQOSA-N 438.536 2.092 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC=CO1 1507665982 ZQQYVMCJWIPTAV-SFHVURJKSA-N 438.557 2.394 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1507694694 QEULZTNPUUPKFP-UHFFFAOYSA-N 442.570 2.221 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CCC1 1507711111 NXSCFENRMUVKFN-KKIUXKEOSA-N 444.557 2.178 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1507771002 VTJDIXTZYLJMCM-YADARESESA-N 439.535 2.495 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1507919726 HVHBYOOLEIOWNM-JTSKRJEESA-N 432.569 2.089 30 10 IEEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1507995550 MFNVCIXLDJHTTA-JOCHJYFZSA-N 446.573 2.178 30 10 IEEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1508022633 XPQPFZPHADLPAW-GOSISDBHSA-N 427.530 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](C)C1 1508079633 AXNXTCPZXUMKSN-INIZCTEOSA-N 445.593 2.167 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(CC)C(=O)C2)cc1 1508098257 ZLARHJRDIYJMPM-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC[C@H]1C 1508135051 XIIDACVQJIEANK-CQSZACIVSA-N 437.547 2.396 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1509688405 HJYJTKFUVYVPDS-UHFFFAOYSA-N 427.553 2.487 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCC(C)C)C[C@H]1O 1517688053 GESKBQVJTJXNHO-WOJBJXKFSA-N 441.532 2.240 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)c1cc(I)nn1C 1528704417 HIMDHJJPZOEJKB-UHFFFAOYSA-N 426.214 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OC 1538983440 RZYWYNZHZJTQBD-HNNXBMFYSA-N 425.514 2.258 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539215607 GYKHFRZEKPBMKM-OSICKASQSA-N 436.541 2.019 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1539295520 BWVOMNXGCBPXNM-HNNXBMFYSA-N 449.964 2.062 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(C)(C)O)c1 1539395327 CLCSLSBLIRXYLX-UHFFFAOYSA-N 448.527 2.287 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2sccc2c1 1539396076 KKQYQEAPNXMNSC-OAHLLOKOSA-N 447.586 2.237 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCC(F)(F)F)CC1 1539434236 DRHGMGYBGOYCFG-UHFFFAOYSA-N 440.857 2.032 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1539447721 VJAKVUHKBODWOV-IBGZPJMESA-N 426.540 2.181 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OCCOC)CC1 1539447766 VTRJYKAWAFRJNL-OAQYLSRUSA-N 439.560 2.001 30 10 IEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539505823 DYFKMAVSSHQMKG-KRWDZBQOSA-N 441.582 2.483 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 1539511061 QLSNEJMXCYXANY-OAHLLOKOSA-N 430.368 2.446 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(-n2cncn2)nc1 1539539212 RZALFDOXFYOQCT-VGOFRKELSA-N 436.520 2.018 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C)CC1 1539615980 MWTOVNBHAMYTIS-FJIDUMEYSA-N 425.599 2.496 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1539666441 ZXWVAYAYBLRZGB-KRWDZBQOSA-N 430.553 2.255 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1539902549 KBGBYBUNWNNSRJ-QGZVFWFLSA-N 426.631 2.411 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539924587 UWAHQMGHTUNSBG-KRWDZBQOSA-N 432.594 2.336 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1540122526 WNYUYBKVZFCNGX-LJQANCHMSA-N 449.559 2.456 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1541284555 HQTQCRNCAUPBPL-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1542828262 KQJGRIRYTXJULY-CTNGQTDRSA-N 433.430 2.408 30 10 IEEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1546655946 CSSNIAFIYRTUHH-KRWDZBQOSA-N 443.573 2.383 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1548288370 BBOSMYANCWTTDJ-REWPJTCUSA-N 441.532 2.254 30 10 IEEE Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(N)=O 1548369169 GVJAGSLTDPZIKQ-SFHVURJKSA-N 449.433 2.317 30 10 IEEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555346062 INYTYHGBVQJLFP-QQMHEVNUSA-N 440.504 2.236 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1555559369 SXZCWINAYYPDOK-NZQKXSOJSA-N 440.548 2.359 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CCO2)cc1 1560182489 KFIMIZSRNGFUMJ-BJKOFHAPSA-N 447.514 2.480 30 10 IEEE COC(=O)c1ccn(CCCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1583852979 CWHLYRBCCYJDCU-UHFFFAOYSA-N 447.499 2.060 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1587765405 GGPICUMHDJSLSO-QGZVFWFLSA-N 437.591 2.112 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1588055819 ZWFFDUVUVPBWSL-SFTDATJTSA-N 442.585 2.430 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588064673 MTSXONDMKRENPZ-IEBWSBKVSA-N 449.646 2.287 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCC(F)F 1588170596 KCTZRCFWGFMGHR-IYBDPMFKSA-N 437.491 2.403 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)COCC 1588200482 RHPRDSYGUZBZMP-UHFFFAOYSA-N 432.532 2.446 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)c(OC)c2)CC1 1588806416 PSWWNXJDDDINIY-UHFFFAOYSA-N 437.935 2.395 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCCC2(C)C)CC1 1588929565 CWVBWRIDYCSUMU-DVECYGJZSA-N 443.592 2.427 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1589427635 TUDPHVDSUQJQHZ-QAPCUYQASA-N 447.381 2.329 30 10 IEEE COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CCC2 1593722072 XAPXBCMXGVAMQR-UHFFFAOYSA-N 427.482 2.177 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1594544029 GZPMQQJNQKGUJV-QRVBRYPASA-N 443.573 2.212 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1595501016 JINYUMNRLPNMNI-LJQANCHMSA-N 430.516 2.366 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H](C)C2)n1 1612502881 NVICKPXRYDNGHW-GHTZIAJQSA-N 440.596 2.381 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)S1 1612918251 XMZCQVKAPBPRKF-GASCZTMLSA-N 434.591 2.086 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1613124684 SLLGDIHOAQBDDO-HCBXPFHNSA-N 427.505 2.087 30 10 IEEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1623331451 PXCWSJXYYGIVQL-UHFFFAOYSA-N 435.933 2.322 30 10 IEEE N#Cc1c[nH]c2cc(C(=O)NCc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)ccc12 1624842658 VVAWSVUQHRSZGL-SFHVURJKSA-N 438.509 2.427 30 10 IEEE C[C@@](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)(C(N)=O)c1ccccc1 1629971902 KVDWJMZFYUFXBV-FQEVSTJZSA-N 427.302 2.274 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(-c2ccc(Br)cc2)no1 1632880657 WDEADPCFYPTRBE-VLGSPTGOSA-N 431.246 2.360 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(Br)c(F)c1F)c1cc[nH]n1 1634987998 PPQGQKSIBLJEPG-UHFFFAOYSA-N 445.220 2.051 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOc1ccc(F)c(Cl)c1 1635916189 PDROTMFTWVJXNM-GFCCVEGCSA-N 425.869 2.213 30 10 IEEE C#C[C@@](C)(CC)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1636941934 WNZWIKOQXPEWGP-ZHRRBRCNSA-N 428.558 2.463 30 10 IEEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C[C@H]1C 1640821839 BUHJIVGHWCQILY-TYNWYWJLSA-N 449.573 2.328 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)c1 1640885703 GHWIIHCMLYQQEL-HNAYVOBHSA-N 442.541 2.199 30 10 IEEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1641926684 CIHDXAZWUCGDNA-UHFFFAOYSA-N 441.513 2.303 30 10 IEEE C[C@@H]1COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N 1649563108 FTAXGPMPBWIEJH-ZIAGYGMSSA-N 436.358 2.495 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C)CC2)c1 1649663716 GWBRRKYSJXNACF-FQEVSTJZSA-N 432.525 2.437 30 10 IEEE Cn1ccnc1C1(O)CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1650900617 UNNWMLUHHYWVKH-UHFFFAOYSA-N 447.520 2.366 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC#Cc2ccc(C(F)(F)F)cc2)c1=O 1652135867 DCNUTFBTYXVADY-UHFFFAOYSA-N 433.386 2.294 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccnn2Cc2ccccc2Cl)c(=O)n1C1CC1 1653013473 AVDVGRMRBOTYKX-UHFFFAOYSA-N 438.875 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCO[C@H](c4cccc(C#N)c4)C3)OC2=O)C1 1658096747 QWNRLVDVOMYKQA-OALUTQOASA-N 427.501 2.484 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C[C@@H]1O 1659950718 MUJQRXIPRHAICL-NRFANRHFSA-N 438.528 2.222 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1674968024 HDRQYNYQMOPLRK-UHFFFAOYSA-N 443.548 2.198 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC(=O)N2CCCCc3ccccc32)C1 1679945017 RYRVTOQNIYDXOB-ROUUACIJSA-N 441.532 2.414 30 10 IEEE C=C(C)CONC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682405578 ZZIKFWVMOQUBKV-IAGOWNOFSA-N 437.541 2.071 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1689888917 UQSQWBMCSLKOGW-UXHICEINSA-N 430.597 2.360 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(CCC)C1 1690053548 DBGNDSUMZPOLHT-LJQANCHMSA-N 438.601 2.464 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(OCC)CCCC2)CC1 1690110423 LVFCXCGIFDBUOE-UHFFFAOYSA-N 430.597 2.301 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1690122653 XZIMSALNNIYJKU-LPHOPBHVSA-N 442.951 2.105 30 10 IEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1690444880 NMTKWONKSKKWES-QUCCMNQESA-N 433.516 2.046 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1 1690497585 VACRTRACHKMKRY-INIZCTEOSA-N 432.550 2.141 30 10 IEEE CC[C@@]1(C)CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1694453660 BECSVXISLKYQFC-WUKBZCGHSA-N 430.553 2.398 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705540181 POIOUUVQZQRPMJ-PMACEKPBSA-N 439.564 2.149 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CN(CC(C)C)CCO1 1705548640 OHSHIGQQRANAHL-LJQANCHMSA-N 425.533 2.143 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(OCC2CC2)c1)[C@H]1CCS(=O)(=O)C1 1705561621 VEBUVCAVIGAKIQ-IBGZPJMESA-N 443.573 2.260 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705562346 AIJWZNOLQFWQSM-SFHVURJKSA-N 440.525 2.422 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N(C)C1CC1 1705581516 DHKIPILNYXLSGK-LJQANCHMSA-N 432.576 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1705592304 UENGPMLJUSCAFC-UHFFFAOYSA-N 425.920 2.310 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCCC2)CCOCC1 1705602841 HDMDUULNTGWXLU-UHFFFAOYSA-N 430.597 2.301 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(Cl)cc2OC)CC1 1705635253 VBUIKVRDZOHUPH-KRWDZBQOSA-N 447.967 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(COC(C)(C)C)on2)CC1 1705649549 BHNDHDXAHQBVSX-UHFFFAOYSA-N 428.537 2.158 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705735689 DBKWGQRANKZJCP-IBGZPJMESA-N 444.580 2.051 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@@H]1C 1705828210 GKHTYQUGFQWWRQ-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(COC)CC1 1705936943 CALPPOQYTPQCIO-UHFFFAOYSA-N 439.607 2.097 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1706959146 PIOBYDMZBFZXHY-OXJNMPFZSA-N 435.431 2.081 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCC1 1708478928 ZRXPOSCNIGTZJL-CQSZACIVSA-N 444.561 2.294 30 10 IEEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1711226619 GOMOPMCTLVQNPY-KDDVOAFDSA-N 446.552 2.297 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)C1 1711317614 CTTSYBRFSGTZSS-DEOSSOPVSA-N 449.559 2.182 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)COCCO2)cc1 1711878086 BAHCTJKEBFWUGT-QFIPXVFZSA-N 427.505 2.411 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1712008342 DQEMECJDYHKVFW-PKTZIBPZSA-N 440.548 2.062 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1Cc1ccc(C#N)o1 1712529285 CFLDSXHTCWWIGM-INIZCTEOSA-N 444.536 2.210 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(F)cc1C 1712648086 PRCHTRFIADIHAQ-IHPCNDPISA-N 429.496 2.421 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1722282535 DEAVHZXMNOTZNB-QGZVFWFLSA-N 443.573 2.430 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2cc(C)nn2C)c1 1722304674 CFTDNSABPHHPRL-UHFFFAOYSA-N 440.511 2.487 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCOC 1722397164 ODFAEMNUOCXUMZ-IBGZPJMESA-N 445.564 2.476 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1722425980 UCKKCOYRFLQRQN-HSZRJFAPSA-N 447.649 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)SC)CC1 1722443764 NUFDGBSHSWNVRO-VGOFRKELSA-N 449.621 2.036 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722555869 MUWCVNHVXOJKLC-QGZVFWFLSA-N 447.971 2.305 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)[C@H]1CC 1722689454 TZOKCKOZBIAHGI-RHSMWYFYSA-N 446.939 2.089 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnccn1 1722693714 YHGRKJCPSHUFQL-UHFFFAOYSA-N 429.488 2.064 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1722813771 FYRGVJJSTHGBIB-HXUWFJFHSA-N 430.516 2.263 30 10 IEEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C 1727278499 CLPOQWVHRUXWAE-HZPDHXFCSA-N 433.557 2.442 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1)[C@@H](C)C1CCC1 1728298051 YXBMMCVEBXMENV-KSFYIVLOSA-N 443.573 2.381 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1728641017 BNJRYUZGWORKLL-MOPGFXCFSA-N 449.559 2.226 30 10 IEEE CS(=O)(=O)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)CC1 1731000839 MYTMRMATCUAIRL-UHFFFAOYSA-N 427.530 2.320 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC(=O)N2)c1 1740563407 XWNCSLYUQWGVLU-GOSISDBHSA-N 432.484 2.181 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740618231 FJESRRJNUJETNG-SFHVURJKSA-N 445.495 2.489 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(C(N)=O)CCCC2)n1 1740688578 XGYIBJXEABRREL-UHFFFAOYSA-N 441.580 2.104 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 1740708880 DNNNIAVCBZKNHB-CRAIPNDOSA-N 433.603 2.378 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740752188 UNQNMKNYDQSUHP-PMACEKPBSA-N 431.581 2.458 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1740764916 LLGHGYTXLNQLDE-INIZCTEOSA-N 432.550 2.295 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740826996 FHILMKVRDWLXFR-KRWDZBQOSA-N 430.578 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740957161 CUIMNFUFFVSTMN-GOSISDBHSA-N 428.443 2.432 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740981575 PNXFTFVFPWMVSB-HKUYNNGSSA-N 434.537 2.224 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1741648878 GUVPERWUOQNSFR-CALCHBBNSA-N 431.585 2.044 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCOCC(F)F 1743239845 WCYLJVRQLMCDIU-AWEZNQCLSA-N 434.495 2.234 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C#N)CC1 1747447536 GYYMODUULUXAOL-UHFFFAOYSA-N 446.577 2.153 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(Br)c1 1748785530 ZPCLPSRLNPOADU-HNNXBMFYSA-N 432.322 2.312 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCOC2)C1 1749083585 IQYQDMGBQTYDNQ-SFHVURJKSA-N 442.358 2.101 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1749120079 ABGIXHMLBGGVPB-SQMWVJLWSA-N 444.624 2.385 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749690586 UKPIMLLOIJNNAC-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE CC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1751298332 RKBRJAUYDDJUGZ-CQSZACIVSA-N 433.534 2.087 30 10 IEEE Cc1cccc(C)c1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1751594598 CJMCQYYPKNYVEU-DYESRHJHSA-N 431.537 2.482 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccc(Cl)cn2)cs1 1751782655 KVLGKPWPRXKVIX-MRXNPFEDSA-N 445.936 2.490 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1752410660 BIKAEHXJXGYRNW-BHIYHBOVSA-N 438.532 2.103 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1760100663 XPCYBZDXJUVULO-LPHOPBHVSA-N 442.507 2.219 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC)CC1 1760129273 IDHGCXLPMCZPON-UHFFFAOYSA-N 437.548 2.412 30 10 IEEE C#CCCCn1c(N2CCN(CC#C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159785 PGVVJIUWZVWFEC-KDURUIRLSA-N 426.565 2.217 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1760183827 UHIMVCXYEZMREF-MOPGFXCFSA-N 433.622 2.219 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)(F)C1 1760316694 VUSVCHRNDDIXGU-BPUTZDHNSA-N 447.552 2.351 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1760384697 CRBGZGXDOHRUPN-UHFFFAOYSA-N 447.561 2.154 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760430531 MHNRZRXBVNHADQ-INIZCTEOSA-N 446.577 2.325 30 10 IEEE Cc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCN(C)C 1762066091 QMVCVPSMZXSPPA-UHFFFAOYSA-N 447.543 2.367 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC(C)CC1 1766335449 BEKYHDGXXGOXCW-UHFFFAOYSA-N 439.564 2.472 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1766456968 BEEJBNWWWINFGN-SFHVURJKSA-N 448.531 2.223 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@@H]1C 1769494182 AUDGJIOCUOJZPG-INIZCTEOSA-N 434.504 2.070 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1769566525 DTDKJLQVNSWLAO-DENIHFKCSA-N 437.592 2.456 30 10 IEEE Cc1nc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc2n1[C@@H]1CCS(=O)(=O)C1 1772791243 QCYWHBLMXQDNJJ-CQSZACIVSA-N 439.449 2.072 30 10 IEEE CN1CCN(c2nc(Br)ccc2NS(=O)(=O)c2ccccc2C#N)CC1 1848830573 OFFRKKNRNAEOPS-UHFFFAOYSA-N 436.335 2.268 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)Cn2cc(-c3ccc(F)cc3)cn2)CC1 1851200661 TVVXCANFCNSXOW-UHFFFAOYSA-N 434.475 2.321 30 10 IEEE COc1cccc(-c2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)n[nH]2)c1 1851261107 NVWZHQAKSGPHHQ-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 1853623270 PQNGWMDZZXGKAH-UHFFFAOYSA-N 431.901 2.204 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2Cl)C(=O)C12CCCC2 1854394609 ARYXNOUJFBUFAG-UHFFFAOYSA-N 441.912 2.249 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C(=O)C12CCCC2 1854415815 OJRFUPOJCLICIL-UHFFFAOYSA-N 429.420 2.156 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccn(CC)n2)CC1 1855608020 XIGFKFHNFHPOOR-UHFFFAOYSA-N 428.514 2.363 30 10 IEEE C[C@H]1CC(=O)N(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2N1S(=O)(=O)CC#N 1857463630 MZMUZOGONGWCSJ-LIRRHRJNSA-N 425.466 2.002 30 10 IEEE C=CCNC(=O)[C@@H](CCCC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861594286 SSFFZDBCPXBXKM-RBUKOAKNSA-N 445.560 2.072 30 10 IEEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 1870107240 ZOARCTPVSVDZJY-GFCCVEGCSA-N 434.843 2.475 30 10 IEEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870387069 OXMIGRRNPXDPFG-UHFFFAOYSA-N 428.508 2.011 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCC(CO)CC1 1870740222 PXAMSLGTGSYMBI-UHFFFAOYSA-N 441.528 2.265 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491635 JRSUHOSCPRHZKJ-UHFFFAOYSA-N 443.983 2.343 30 10 IEEE C=CCOc1ccc(-c2nonc2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1873438927 KRPVSRHSUZKXGL-UHFFFAOYSA-N 449.379 2.444 30 10 IEEE COc1cccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1OC 1874340077 AUUDGBMNFHNGFB-LTNVFZTJSA-N 447.561 2.376 30 10 IEEE COC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(CNCC(=O)OC(C)(C)C)c1C 1887520784 FFWRVNUJUMRZJJ-UHFFFAOYSA-N 433.354 2.441 30 10 IEEE CN(CC1CCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)CC1)c1ncccc1C#N 1891762452 CHQWFKBQIHMIGU-UHFFFAOYSA-N 432.484 2.145 30 10 IEEE C=C(I)CN1CCNC(=O)[C@]12CCCN(C(=O)OC(C)(C)C)C2 1992168084 VFHYRAVETROJEU-MRXNPFEDSA-N 435.306 2.137 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1999430174 KNYKKBHXFPGIKR-BZSNNMDCSA-N 438.569 2.439 30 10 IEEE CC1(C)OB(C=C2CCN(S(=O)(=O)N3CC(OCc4ccccc4)C3)C2)OC1(C)C 2004770462 ZTGZNZGBOIHBAL-UHFFFAOYSA-N 434.367 2.396 30 10 IEEE Cc1cc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)ccc1C#N 2174786053 GAUMYWXGAWDEMF-LJQANCHMSA-N 429.498 2.183 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435337 PEBAXMSICDBIER-AWEZNQCLSA-N 432.348 2.034 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2253616408 BCMDRRLZXXASRB-KLHDSHLOSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]2COC[C@@H]21 2254645336 LMAULULZLSABER-ULQDDVLXSA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)C1 2255542107 MXUGMNPUHDLGLB-UHFFFAOYSA-N 431.342 2.471 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2255696956 BHKCVGIIPZMIEI-IBGZPJMESA-N 426.244 2.269 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2255807982 CCVXVRIRJTWJTC-QGZVFWFLSA-N 438.362 2.292 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2257486316 OLMYRHNNCKIHAI-UHFFFAOYSA-N 431.342 2.286 30 10 IEEE COC[C@@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2258958420 GSGVLBYLCPAYRL-JOCHJYFZSA-N 436.358 2.401 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267098473 ZLRKNEWESGJOKH-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267192740 VNNMAMQCKVGFBV-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)OC1(C)C 2267604203 DSDFAESSRSKXDN-OALUTQOASA-N 434.349 2.122 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2268705090 AKKQKEHYCWLPGM-HNNXBMFYSA-N 448.373 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268716054 LROBORDFFHSBPX-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)NCCC#CCO)CCN(Cc2ccccc2)CC1 2303679768 FDASGVFDCLTEEA-UHFFFAOYSA-N 429.561 2.438 30 10 IEEE COc1[nH]c(=N[C@H]2CCON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503274 LFVALWUVQYTIMX-AWEZNQCLSA-N 435.330 2.164 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc(F)cc2)cc1 2330441148 LDCQMCFCACVELL-UHFFFAOYSA-N 431.489 2.372 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2334530721 GSWKROZLBYTOFH-UAGQMJEPSA-N 445.369 2.452 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2337300645 FABWQCFWDRJLFS-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc1 20291956 LHUVUDPXRXKCIQ-KEBDBYFISA-N 426.462 2.385 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 435714262 JHJXFBAUOMPPMP-MRXNPFEDSA-N 445.972 2.080 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@H]1CCCO1 440381537 LYCLRINLQWVZPI-QFBILLFUSA-N 440.565 2.353 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C2)cc1 461729107 PJUJGHCPKWZFSC-GOSISDBHSA-N 431.539 2.453 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cn1 462093995 WEKBHZRFZJZNIN-LJQANCHMSA-N 429.484 2.494 30 10 IEEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 466556574 QKXVSFGWUNLZLB-HXUWFJFHSA-N 446.504 2.101 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 478037625 SSVGMWFWVRKULC-INIZCTEOSA-N 431.480 2.455 30 10 IEEE CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1C 480542877 UTPYEELASQGUCZ-UHFFFAOYSA-N 449.554 2.007 30 10 IEEE COc1cnccc1N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 480959248 KMMRGXZOFWYRIE-HNNXBMFYSA-N 429.502 2.130 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 504087473 GGYDDGHVMOJBGR-NRFANRHFSA-N 435.546 2.171 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccnc2)c1=O 524334788 MLMHSCXHKJTSCN-UHFFFAOYSA-N 445.544 2.428 30 10 IEEE C=CCN(C(=O)c1cc(I)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 532510504 GGLNAZKXFGBRFU-VIFPVBQESA-N 441.237 2.385 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 542728577 NGVLIEDUPAJKRA-KRWDZBQOSA-N 441.509 2.034 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@H]3CS(N)(=O)=O)c2)c1 553367610 UVDKHXZAFSBLAV-FQEVSTJZSA-N 441.509 2.158 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCOC3)CC2)c1 555449002 FKBFZSZYMSSMMP-NQIIRXRSSA-N 439.516 2.322 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(CCOC)C(=O)C1 575909381 BWCKOUBUVAYBTL-UHFFFAOYSA-N 426.521 2.018 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 604525419 DVTLPJXBEYXFKH-UHFFFAOYSA-N 443.529 2.272 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)s1 676726731 IHPVLXISGGGUEX-CQSZACIVSA-N 428.579 2.442 30 10 IEEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1)c1cccs1 730728849 GLIXFYQPEAKQOH-XZJRUDNNSA-N 435.575 2.365 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(CCC)c3)c2=O)c1 735068519 JMKYNBILUQPHIQ-UHFFFAOYSA-N 442.544 2.359 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2C#N)c1=O 743726809 VEQZHHDBIAVXSO-UHFFFAOYSA-N 432.530 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCCOc2ccc(C#N)cc2)CC1 745616925 OILTVKGATWNOAT-UHFFFAOYSA-N 431.537 2.179 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC2(C)CC2)C1=O 751928563 MUCATPYBXIBNGZ-KRWDZBQOSA-N 432.546 2.215 30 10 IEEE C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(NS(C)(=O)=O)c1 753910469 KONRSFHYMQLBKG-OAHLLOKOSA-N 438.513 2.405 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](COC)C(=O)O 757268404 VKBNUUQZDZLPOQ-RTWAWAEBSA-N 436.464 2.133 30 10 IEEE COC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470632 KNYJTIGXHKCWDF-DEOSSOPVSA-N 436.464 2.134 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)C1 757597798 UCCKUBPNCTYDEN-KFKAGJAMSA-N 436.516 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(c3nnc4ccccn34)CC2)[C@H](C#N)C1 758750493 FXANFYBTZDCFLV-IAGOWNOFSA-N 439.520 2.377 30 10 IEEE Cn1nc(CC(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)c2ccccc2c1=O 770858200 JYVJEPCHKOPRQQ-UHFFFAOYSA-N 445.519 2.293 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)cc1 777295880 VOEZCSLEZYVFGJ-OAQYLSRUSA-N 445.472 2.255 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)c12 778066486 AJLMAQFGWRDEMF-CQSZACIVSA-N 440.525 2.353 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CCC2CS(=O)(=O)C2)C1=O 786684034 UWVARCCHLZQWEJ-HNNXBMFYSA-N 443.978 2.151 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 794578356 BAVFXDBYRZVHHL-QGZVFWFLSA-N 442.585 2.375 30 10 IEEE Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 794608561 KGDNUMBRLBARJY-UHFFFAOYSA-N 434.484 2.291 30 10 IEEE N#Cc1ccnc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1 803847412 DRRWLHDAFHRROD-MRXNPFEDSA-N 433.468 2.480 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 805785621 IFYRVSZTFUMHMG-WOJBJXKFSA-N 431.492 2.328 30 10 IEEE Cn1ncc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/CCc2ccccn2)n1 807934795 ALQQEOPYPIQNQK-DRGFOCDESA-N 449.540 2.282 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812054465 VZRFZXBPZZAPAL-OAQYLSRUSA-N 431.521 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cnc(N3CCOCC3)s2)CC1 1139472150 XRXHMWDWTMJWCV-UHFFFAOYSA-N 434.562 2.246 30 10 IEEE CN1CCN(C)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1156962015 CGMLWHZZQUBCTD-OAQYLSRUSA-N 441.576 2.098 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1157506085 BPOIHFLGHLFPTL-MRXNPFEDSA-N 445.568 2.229 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1167476956 AHUPGSQRYLCFNL-UHFFFAOYSA-N 440.525 2.230 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 1168922964 RIQOAYWKCRGVHP-MDZDMXLPSA-N 427.501 2.072 30 10 IEEE Cn1cnnc1CC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1178381947 IYOQXKGLLCBWMO-FRIYVGAWSA-N 442.564 2.383 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C[C@@H]1O 1197314150 DCINWZQMOQFHEY-IBGZPJMESA-N 430.480 2.099 30 10 IEEE CC#CC[C@H](CO)NC(=O)Nc1cc(C(=O)OCC)ccc1I 1208377606 CJCJQOFPMVZTDV-GFCCVEGCSA-N 430.242 2.364 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCC3(c4ccccc4)CCN(C)CC3)CC2)c1C#N 1254497387 UQELIURJWDEWQB-UHFFFAOYSA-N 435.576 2.095 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1286365919 NCCHHIYOEBXAJY-ICSRJNTNSA-N 443.573 2.246 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286394023 SXXYBSDOSRGQIX-RTBURBONSA-N 447.630 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccco1)N1CCCC1 1286397657 OPMDNEMGLMOOLU-LJQANCHMSA-N 443.511 2.428 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](OC)C1 1286783025 DBAPHOMIJKMIBC-KRWDZBQOSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1286794205 ZLIBRHSDVKQDHH-YLJYHZDGSA-N 443.596 2.486 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1287284398 XCORNOVZIWNFGR-DMEQXSTQSA-N 441.561 2.377 30 10 IEEE Cn1c(C#N)ccc1C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1287362179 SGPPDIKSCAUEFQ-UHFFFAOYSA-N 435.488 2.432 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1298326895 DKOUFJWGEMVOHQ-KRWDZBQOSA-N 442.570 2.387 30 10 IEEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1299314594 LQHSPTIWNYZUPA-HXUWFJFHSA-N 444.605 2.357 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1300455411 IMDYLLPKTNKXRF-UHFFFAOYSA-N 444.543 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301483677 UCBRESWLKZMCNR-DLBZAZTESA-N 441.532 2.127 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1305754564 FXIDHKIMQTYTOK-HTAPYJJXSA-N 449.575 2.139 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CCCO1 1316085690 DFIDJNMUNSCKKR-WMZHIEFXSA-N 438.532 2.323 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1316209059 JLWGAOCHWSYRSL-LSTHTHJFSA-N 446.527 2.173 30 10 IEEE C=CCO[C@H]1CCN(Cn2nc3ccc(S(=O)(=O)N(CC)CC)cn3c2=S)C1 1323714302 AFEPNSIPSOEKGX-HNNXBMFYSA-N 425.580 2.130 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1Cc1ccccc1 1339624848 QQBOIWNRYXKYJN-UHFFFAOYSA-N 443.572 2.474 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCOC2)C1 1340088387 IHWUBZDHJZXQRV-SJORKVTESA-N 446.577 2.056 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1358921767 IQHMBPQSFAJTAL-IBGZPJMESA-N 431.338 2.176 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1358926006 YOTHVYMGCCYIDQ-XMSQKQJNSA-N 438.551 2.486 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1359008820 ATMXLJMAAHGSGQ-SJORKVTESA-N 432.546 2.116 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1359030010 MGDLFPRVRNDFNJ-AUSIDOKSSA-N 433.597 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCc2noc(CC)n2)CC1 1359046834 HUEFBECBOKKJLS-UHFFFAOYSA-N 439.564 2.165 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1359131113 IFAUQRQAARIBGB-UHFFFAOYSA-N 446.577 2.266 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359159556 YMQBGYBGXWIRDG-FHWLQOOXSA-N 438.642 2.413 30 10 IEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359207078 YKQODAGAWOEUQW-CEWLAPEOSA-N 430.597 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359333921 OAKPPDBAOYMETN-QGZVFWFLSA-N 446.602 2.259 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)Cc1ccc(O)cc1 1443467142 UYTVHGARNLDSJX-FUHWJXTLSA-N 433.505 2.427 30 10 IEEE Cc1ccc(C(=O)N2CCN(CCc3cnccn3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1455077028 HYJAXGCFRHOLJW-UHFFFAOYSA-N 436.365 2.085 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)Cc2cn(C)nc2CN2C(=O)c3ccccc3C2=O)c1 1461944217 NMOMWEYIHVVGHR-UHFFFAOYSA-N 441.491 2.268 30 10 IEEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1462494142 QKCNGNZRRHGZRB-DLBZAZTESA-N 425.526 2.438 30 10 IEEE C=CCn1c(SCC(=O)NC2(C(=O)NC)CCOCC2)nnc1-c1ccc(Cl)cc1 1462797336 ZYDIVBJXUIZVFN-UHFFFAOYSA-N 449.964 2.288 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 1467943503 IYVXIHMGKGOOKC-WTOJCKNJSA-N 428.917 2.002 30 10 IEEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1504467642 BOSGWYQYLZDCMH-IPMKNSEASA-N 429.546 2.255 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(S(C)(=O)=O)CC1 1507602165 MPAHRYAEUIBLRD-INIZCTEOSA-N 432.546 2.463 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCOCC1 1507610061 DOZUDTMNABTMBF-GOSISDBHSA-N 446.596 2.183 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1507751342 MVAPLWGWTUIFJU-FQEVSTJZSA-N 446.665 2.143 30 10 IEEE C=C(C)Cn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836398 JPZHBERTMSLIOH-ZJSXRUAMSA-N 441.576 2.362 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C)C1 1507837048 HHUIHUSGDMUBQL-MRXNPFEDSA-N 448.593 2.364 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N2CCOCC2)CC1 1507908949 LRTBHIIKHZNFKZ-QGZVFWFLSA-N 444.605 2.393 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1507997588 BPWGPEGRBYCAJR-VQTJNVASSA-N 441.532 2.236 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1508071112 BBJJSVZJLCHSSG-OAHLLOKOSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1508080535 PKQLOLFGWVGLKA-UHFFFAOYSA-N 438.517 2.312 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1508088005 RAJGQNZJBMXPHF-UHFFFAOYSA-N 432.488 2.026 30 10 IEEE CC1(C)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1510332482 XEYIGZPWBFBODM-QZQOTICOSA-N 435.532 2.417 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1517039220 UKOFKYFONQLKQY-QZTJIDSGSA-N 429.546 2.255 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCC(C)C)CCO1 1517539202 SXWWDJRFEQEZQN-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)N2CCc3c(CC#N)cccc3C2)CCS(=O)(=O)CC1 1534232405 UUXFUIVSHLMKPQ-UHFFFAOYSA-N 432.542 2.174 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)cn2)cc1 1536226515 PHFFXDLLNMNNRO-INIZCTEOSA-N 441.538 2.343 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N=c2c3c([nH]c4ccccc24)CCOC3)cc1 1538380316 OCIFEZKUDRCUKQ-UHFFFAOYSA-N 436.493 2.174 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539067547 HPECHTGEISHVQY-LJQANCHMSA-N 437.592 2.489 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCOCC2)nc1 1539183133 VWLKZLMCMNZCDB-UHFFFAOYSA-N 438.482 2.496 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CC(OCC)C1 1539306270 FNTXEHLATKCTFH-UHFFFAOYSA-N 438.528 2.355 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC2CCOCC2)CC1 1539430728 MPLPGAXLXWQUTC-DEOSSOPVSA-N 445.608 2.281 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539971479 IAMIIILXLXODSB-HXUWFJFHSA-N 437.548 2.387 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540049013 FPFMKJLSYKHJNA-WZONZLPQSA-N 442.564 2.221 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1540074485 ZBPSXNZJVASIQC-MOPGFXCFSA-N 446.573 2.327 30 10 IEEE C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 1540280623 LOHNRNSPQIAAKR-NRFANRHFSA-N 431.602 2.159 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1540572791 ZAHKWKJBQAXWJZ-UHFFFAOYSA-N 427.486 2.181 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1540874571 LHDIPIGSYORIGQ-RBUKOAKNSA-N 425.533 2.331 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1540890510 GCGSDBJXQYWIIR-PMACEKPBSA-N 446.573 2.156 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1541112042 DPMPIRMRSWRBFM-NRSPTQNISA-N 435.576 2.390 30 10 IEEE COCCN1C[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1=O 1555574497 HZFXEWHUQISYSW-SFHVURJKSA-N 440.523 2.243 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1555803067 CNWMYMAEIMDVPP-MOPGFXCFSA-N 429.546 2.257 30 10 IEEE C=CC1(CC(=O)Nc2cc(S(=O)(=O)NC)ccc2O)CN(C(=O)OC(C)(C)C)C1 1556891194 JQFVKFAQLBQZRO-UHFFFAOYSA-N 425.507 2.052 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(CC(=O)NCc2ccccc2Cn2cccn2)CC1 1560078011 FTTNYIFQHYUKQO-UHFFFAOYSA-N 432.503 2.381 30 10 IEEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1CC(C)(C)O 1567658577 JYFTWRIDIYQRRD-AWEZNQCLSA-N 435.366 2.061 30 10 IEEE CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)CC1 1585333397 GXQHNEKQAIFYRU-KRWDZBQOSA-N 448.483 2.210 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1587580209 NQIHMSJLWCNEGQ-ILHIWHGASA-N 432.546 2.340 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1587898256 MGRBJDCZBMOSBS-OAQYLSRUSA-N 442.608 2.456 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1nc(C)cc1C 1587970124 ORSQZSBKPOFWJW-UHFFFAOYSA-N 440.577 2.211 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588044991 FBXBMAAYKDWCQT-CYBMUJFWSA-N 445.492 2.220 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCN1CCN(C(C)=O)CC1 1588198181 JPZUEPCCVQOMSF-UHFFFAOYSA-N 432.572 2.135 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1589006291 CXTZDOXNWSCEEJ-HXUWFJFHSA-N 433.541 2.495 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC(N)=O 1593704466 WYVSPYFKQMCWKN-ZDUSSCGKSA-N 439.358 2.339 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1593764000 UDUSYNPTODAOFJ-SFHVURJKSA-N 441.532 2.269 30 10 IEEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1595050079 BVRHWZVBBZCBNY-UHFFFAOYSA-N 445.527 2.067 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595905419 JZOMETKABOYLEL-UHOSZYNNSA-N 432.594 2.098 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)c1 1596680212 GJUXWXXXHHLDNA-UHFFFAOYSA-N 441.528 2.217 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1596781367 AWUIFIITVGAXBU-JKSUJKDBSA-N 433.557 2.365 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC(F)(F)CO1 1602851333 WRFALKRDXJGHSI-GJZGRUSLSA-N 432.479 2.202 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1612977303 CPZFJEBNKXRRLF-KRWDZBQOSA-N 433.516 2.463 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@](C)(O)c1cccs1 1614028448 DFOWOYSGZLZJNC-BTYIYWSLSA-N 438.561 2.186 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1618045176 DPBPNEUTDCKRJW-MUYFXNHWSA-N 446.552 2.283 30 10 IEEE C#C[C@H]1CCCCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1622819444 FCQAVWYWOCFYRP-SFHVURJKSA-N 446.573 2.327 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccc(C#N)c(Br)c2)C1=O 1624714225 LAXNJYHUMQHMRE-LJQANCHMSA-N 443.257 2.198 30 10 IEEE C#C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 1625078160 QVVDRXUFCGGXKY-SCLBCKFNSA-N 446.326 2.478 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CNC(=O)N2CCCC2)c1 1626104463 WZOVLRJDBPSPOD-NKFKGCMQSA-N 435.550 2.024 30 10 IEEE C=CC(=O)N1CCC(C(=O)N2CCN(c3cnccc3C#N)CC2)(c2ccccc2)CC1 1628786989 MKCNOKAABDXUBH-UHFFFAOYSA-N 429.524 2.348 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1629339398 VZMIIDXKEGGZTB-TWOQFEAHSA-N 432.502 2.066 30 10 IEEE Cc1oc(C#N)cc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1636432718 PJSFUBNQDKDGQJ-XKQJLSEDSA-N 430.461 2.114 30 10 IEEE CC1(c2cccc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2)OCCO1 1636794698 MROPEISZOFUFFI-UHFFFAOYSA-N 443.525 2.041 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1637144420 HCBIEURHSZUXDM-JOCHJYFZSA-N 447.557 2.475 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC(F)(F)OC(F)(F)C1 1638733620 BXJBBKPNYJFEIT-QMMMGPOBSA-N 438.321 2.417 30 10 IEEE C=C1CN(C(=O)[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H](C)CC)C1 1641274574 ZYNXRANTWWEVHR-DYVFJYSZSA-N 427.954 2.133 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)[C@H]1c1cccnc1 1643831373 SGWKPGBJWGNZFB-MOPGFXCFSA-N 429.326 2.065 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(N3CC[C@@H](O)C3)CC2)n(Cc2ccco2)c1C 1643898340 XEKQXUMLLIZURB-LJQANCHMSA-N 425.533 2.087 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CCCCCC1 1648028832 PLSIVYVQQONTTF-KRWDZBQOSA-N 445.520 2.068 30 10 IEEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1648293702 QGNLFJSXUGWGTB-BBRMVZONSA-N 447.605 2.312 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)s1 1648999803 QIWKWBXLXWGIFK-CQSZACIVSA-N 428.576 2.335 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)cc21 1652964381 LTRRRJCEDIOVGQ-QRVBRYPASA-N 444.557 2.271 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C[C@@H](O)CC1(C#N)CCC1 1654175030 WHCGXMXDZBFNTR-KKUMJFAQSA-N 433.471 2.284 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br)[C@H]1CCCO1 1655041566 WLERTEPFXCFIHD-UONOGXRCSA-N 430.320 2.393 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2)C(=O)OCC 1664952507 ZVYUNUIMTSMUOC-INIZCTEOSA-N 426.922 2.338 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 1668651445 VOKKOTIHNPMSEP-UHFFFAOYSA-N 442.541 2.021 30 10 IEEE CS(=O)(=O)NCc1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1669327278 BIZFRDRYSVXTIV-UHFFFAOYSA-N 427.530 2.398 30 10 IEEE C=CCCSCCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1670094403 VYOFXUIMSZWWPS-UHFFFAOYSA-N 442.607 2.204 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689898272 ZLFAWQQSTQYJFH-UHFFFAOYSA-N 436.560 2.143 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C 1690043544 FANKMTYMIVOZGQ-DEOSSOPVSA-N 432.528 2.062 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2cnc3ccccc32)CC1 1690364318 NWEXJCIFAJDJIG-QGZVFWFLSA-N 443.577 2.485 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H]1C 1695810544 PMSBIVGLTLXRHG-RBUKOAKNSA-N 425.581 2.314 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCOC[C@H]1C 1697605723 BRCGQJOGXXAMKB-ZWKOTPCHSA-N 428.537 2.182 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CSCCS1 1705595886 KBPROXUWXLOXQM-HNNXBMFYSA-N 429.571 2.317 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1(CS(C)(=O)=O)CC1 1705597994 XSJOQKSAOLJJGE-UHFFFAOYSA-N 446.523 2.435 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1705618917 ZRHOMDSXRVPJSL-IYBDPMFKSA-N 440.552 2.094 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCO1 1705628748 ODCZUUJMGXSZBA-FQEVSTJZSA-N 439.564 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1705644304 LTCXLFRKEPDJPN-QZTJIDSGSA-N 449.559 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)OC)CC1 1705653118 ZKFJLCXNACRYFZ-QXAKKESOSA-N 431.581 2.197 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1705657897 UXOLQNABOCZUMM-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705745650 FRDMLPYIYSVNFX-KRWDZBQOSA-N 444.923 2.473 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1705844127 WNFXAYHUQQWRLR-HRAATJIYSA-N 437.541 2.014 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1C 1705864183 SWUHXUGHJJOINL-FQEVSTJZSA-N 429.550 2.361 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1706337049 HSCLQVKIBYCSES-IBGZPJMESA-N 431.562 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1722293139 KUSQIHBXZDWFIP-RKXCMPKHSA-N 440.573 2.462 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(N(C)C)CCOCC1 1722302103 GDIRAEMMMGHIQN-GOSISDBHSA-N 427.549 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCCC1=O 1722353370 OHAVABNVVMIZDD-UHFFFAOYSA-N 433.516 2.456 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367195 KVCJYHDHJZWZFC-IBGZPJMESA-N 443.573 2.092 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCn1cc(CO)nn1 1722379912 QMDFCXPEFPGFCC-UHFFFAOYSA-N 431.544 2.490 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccc(F)cc2c1C 1722383959 RWMXCLAPTGWKLI-INIZCTEOSA-N 440.500 2.495 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCOC1 1722385651 NEFZBGQXTSXOID-QHCPKHFHSA-N 446.599 2.142 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722455883 RKOUQQFZZDNAHN-IBGZPJMESA-N 439.589 2.369 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1722474992 RIOOLAZAQPEQMU-NPFVIJTESA-N 446.548 2.219 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722482022 DNSFRCYUQBDRAQ-KGLIPLIRSA-N 435.388 2.340 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2cncn2)C1 1722491513 LSJFTKPEGILAMC-WTGUMLROSA-N 445.568 2.416 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722542737 GUTALOJXNIZTMD-GFCCVEGCSA-N 448.380 2.332 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722675834 SSWJMKNLBZBYHG-OALUTQOASA-N 430.597 2.467 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cnc2c(Cl)cnn2c1 1722680058 VKNWHLCSYMLDMU-UHFFFAOYSA-N 439.911 2.313 30 10 IEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1722708043 HOKRMCRHJKCJKB-UHFFFAOYSA-N 447.543 2.338 30 10 IEEE C[C@H]1c2ccccc2CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1723928019 RQPOVOIODCFNCX-KGLIPLIRSA-N 426.502 2.482 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)CC1 1729672356 FLKYYJWXTWALNH-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE COc1ccc(OC(F)F)c(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1730183948 GNPRBVHSAVXIAF-OAHLLOKOSA-N 443.414 2.122 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1730487953 KKMQDWXJVDLMHJ-HOTGVXAUSA-N 432.475 2.104 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1730941538 FZNRNVKDXOCLDL-HBMCJLEFSA-N 446.596 2.099 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1740534609 INHASDZUJDOGNN-JPYJTQIMSA-N 435.532 2.406 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1740589097 OOSMZZQDJMRWJH-GOSISDBHSA-N 426.496 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCC1 1740629776 ZKKJPZZAOGWOOQ-UHFFFAOYSA-N 438.963 2.419 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)C 1740640646 RSDHWLKYGFAARF-SFHVURJKSA-N 431.537 2.084 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1740643108 GJVDTWFXMDBHLC-NRFANRHFSA-N 440.569 2.112 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(F)F)c2)CC1 1740689310 UZZVNWUPHAXGET-UHFFFAOYSA-N 442.514 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2F)CC1 1740704705 RKIVEROAAQJCQW-UHFFFAOYSA-N 433.491 2.197 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740715099 RJPCQJDIBCYYHV-UHFFFAOYSA-N 436.589 2.152 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740718902 WYVPRUBOAHWLAA-GOSISDBHSA-N 435.594 2.453 30 10 IEEE C=C(Br)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1C(C)(C)C 1740748233 CHKATTKHGULHNK-UHFFFAOYSA-N 428.375 2.463 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1740893533 NADUBKXFDCPZGI-UHFFFAOYSA-N 426.502 2.331 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)C1 1740985457 QGUHDOHKUIYBEV-YZZKKUAISA-N 444.532 2.187 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C(F)(F)F)O1 1743246599 ZTPINFMXNLCMER-JQFCIGGWSA-N 437.422 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)O 1748886199 AATPFEHQJGUZPB-UHFFFAOYSA-N 432.528 2.299 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)nc1 1748901056 PYOWKBOGRIUKGZ-UHFFFAOYSA-N 434.525 2.184 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CC=CCC2)CC1 1748992669 DUSNNWDXEQWDFX-UHFFFAOYSA-N 426.515 2.164 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1749153427 VDMOUWJRRDJWNW-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@H]2C1)c1ccccc1 1749242466 JJQWEXONQBEBID-IEBWSBKVSA-N 427.505 2.356 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1NC(=O)CC1(C)C 1749599852 NAHXWCMYTFZBEV-RTBURBONSA-N 441.532 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1749663580 JVRFXOLHGMJJHH-MRXNPFEDSA-N 443.552 2.317 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749672189 RZQMUWIQKOCEHS-UHFFFAOYSA-N 445.612 2.380 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1749689175 AJHUZGIOBKSIAC-GOSISDBHSA-N 446.573 2.409 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](OC)C2)CCOCC1 1750035168 AWATWJOOYHIGJX-HXUWFJFHSA-N 441.532 2.254 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1750084061 JRCVUJGLAWNRRD-RBUKOAKNSA-N 441.488 2.374 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1750085811 HSSDFZCVXNNOAV-GJZGRUSLSA-N 429.529 2.123 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CC=CCC1 1750752546 YCNIGWGMELWTSK-LJQANCHMSA-N 435.580 2.115 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(C)CCCO1 1750971365 BKZUVRZESOVJIF-WMZHIEFXSA-N 438.532 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnc1C 1760111654 QKPIVBVDGBWENQ-MRXNPFEDSA-N 430.516 2.245 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1N1CCOCC1 1760127268 UVZFYHKHFJYSSO-CBQOVEMMSA-N 439.560 2.345 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)no2)CC1 1760143772 RBYWFEJUGFVOOF-FPOVZHCZSA-N 442.564 2.424 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC(F)(F)CO1 1760249311 JGCLUKTVWITARM-QAPCUYQASA-N 434.443 2.301 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760258716 BOSWGHGAFJBSNV-IAGOWNOFSA-N 430.578 2.140 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cc(C)no2)CC1 1760264880 YGPVEMIVPRMADR-UHFFFAOYSA-N 436.516 2.356 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)CC1 1760405590 YFOMQLXVXYOYLT-QGZVFWFLSA-N 431.562 2.478 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760517049 AWFSZBVRAJLSTD-UZUQRXQVSA-N 441.532 2.030 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C(=O)NC)C1 1760546354 NHZMWQDDNLFHFV-SFHVURJKSA-N 427.549 2.431 30 10 IEEE CC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765122417 DSRUXVPXSXMGGJ-BFQBXFRASA-N 435.532 2.417 30 10 IEEE CCCN(CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1766032158 FLUTVIJKNAYGLA-DLBZAZTESA-N 434.541 2.158 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ncccc1F 1770202094 MXMKPKJCXYTETF-UVFQYZLESA-N 434.447 2.057 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1772543474 XEZWNXNUVJDSDB-IBGZPJMESA-N 442.495 2.339 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC3(CC2)OCCO3)[C@@H]1c1ccc(C#N)cc1 1849734974 JBLTYOYOFFBPAR-PMACEKPBSA-N 429.542 2.317 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N=c3[nH]n(-c4ccccc4)cc3C#N)CC2=O)cc1OC 1851975739 BAVRHJLWSKEYFQ-OAHLLOKOSA-N 431.452 2.175 30 10 IEEE Cc1cc(N(C(=O)[C@H]2CCn3cnnc3C2)c2n[nH]c(N=CN(C)C)c2C#N)ccc1F 1853111929 IJGKUOYIYMGXGQ-AWEZNQCLSA-N 435.467 2.469 30 10 IEEE CCCN1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C(=O)C1 1854523626 MEEIKKIEBBIQPF-NHCUHLMSSA-N 428.558 2.033 30 10 IEEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562213 SFYRKZHKHQXTCA-UHFFFAOYSA-N 434.544 2.004 30 10 IEEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(N3CCOCC3)ncnc21 1873595623 KXJFZLVVCWZVLC-UHFFFAOYSA-N 437.500 2.271 30 10 IEEE COCCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874470513 JJQWCKOBFNKVJG-YDZHTSKRSA-N 439.497 2.146 30 10 IEEE CCCN(CCC)C(=O)COc1ccc(/C=N/n2cnnc2SCCO)cc1OC 1874541382 XMKJZBJLASVRAN-LPYMAVHISA-N 435.550 2.281 30 10 IEEE C[C@H](C#N)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883385897 GHHIJGRNNFISFY-YJYMSZOUSA-N 428.466 2.305 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1890811320 DPPPYXSPMZEWBI-FQEVSTJZSA-N 443.544 2.474 30 10 IEEE N#Cc1cncc(C2=CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)c1 1891274894 WNGBNINKZPBWEM-IBGZPJMESA-N 430.464 2.393 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 1985011634 PUSJZVVDMNXMPR-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)C(C)C 1995365692 NQKUPZRTEMTRGU-SNVBAGLBSA-N 444.058 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2010402043 LLVFGYWBICBSIL-RUXDESIVSA-N 428.310 2.047 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CO1 2010514582 BCQWGBLOBOEUAW-IHPCNDPISA-N 428.533 2.247 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CO1 2060638338 VUXQQBTXBOSFHM-BPKGMFCQSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751774 IGUXPLPJKWTYEM-LUDNOHBGSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754383 MHJWIVXIQYAELP-QRQCRPRQSA-N 436.358 2.301 30 10 IEEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1 2138817563 KYWCJHRUMOQJAD-UHFFFAOYSA-N 444.341 2.470 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677679 IPTYIUKPPRIUBB-INIZCTEOSA-N 447.341 2.345 30 10 IEEE N#CC1(CS(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)CCCCC1 2174786100 GNRWSOITTREQFP-MOPGFXCFSA-N 435.546 2.464 30 10 IEEE Cc1cnc(NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224099693 JHKXULJCKYAAGB-UHFFFAOYSA-N 433.358 2.473 30 10 IEEE CC1(C)OB(c2cccnc2N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2224137915 UVPUJAWHLJACHV-CFVMTHIKSA-N 425.260 2.417 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H](CS)C(=O)O 2229108200 TZVWCDUERBDLCX-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247961521 GHMRLLSBANJIDF-YWZLYKJASA-N 442.387 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629256 SRXWRYFKPNIGLC-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255827515 YEMJUAWORVMZQD-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC 2261065404 BCTCAXOHPUGEFW-GFCCVEGCSA-N 443.360 2.051 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266996695 JDZQFMRIBDKTRD-GJZGRUSLSA-N 449.332 2.458 30 10 IEEE Cc1c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267145587 FPLZNZGNVSPINY-IBGZPJMESA-N 438.381 2.374 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2267175968 SUHLCFMIMUWUJC-UHFFFAOYSA-N 436.365 2.160 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267194058 MRTRNPKOMQIULE-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCCN(Cc2ccccc2)C1 2267533342 QYXOCMRKGDMHKS-LJQANCHMSA-N 438.381 2.456 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H](C)N1C(=O)OC(C)(C)C 2267548869 IQQHFGKWZWVBOQ-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268631966 FFMUYUSHTHQJTF-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268640922 ZWBIFEMTKIMQOA-MRXNPFEDSA-N 448.325 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268648044 VHEWYEXWIMILQI-CVEARBPZSA-N 447.341 2.080 30 10 IEEE C[C@@H](C#CC(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2302425081 CKKFWZKGZUKOHO-HOTGVXAUSA-N 439.553 2.170 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2312861775 YUXOHGJUJFASBI-GBJTYRQASA-N 438.330 2.438 30 10 IEEE CCOC(=O)C1=C(C)N/C(=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C1=O 13050750 ZQHLKNPSWWRHIF-WQRHYEAKSA-N 430.482 2.417 30 10 IEEE COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)NCc4ccc(F)cc4)cc3=NC2=O)cc1 211038900 VFRMRXXASPXMSO-XKZIYDEJSA-N 443.434 2.311 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 301359769 PVMNXVNSXNKQRI-UHFFFAOYSA-N 439.324 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccc(Cn4ccccc4=O)cc3)NC[C@@H]2C1 305047135 YOOKQWDKKUJJKZ-HXUWFJFHSA-N 437.544 2.277 30 10 IEEE C=C(CNC1CC1)Cn1cnc(I)c1I 308805789 OHGYXNPQFNVESH-UHFFFAOYSA-N 429.043 2.401 30 10 IEEE COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427246550 QVEJOJQNHOJPAI-UHFFFAOYSA-N 438.531 2.148 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 446111624 AWOCXJAMYGDVNG-GOSISDBHSA-N 435.480 2.009 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN(C)Cc2ccco2)CC1 466016221 KVZZRBDQDQZHNU-UHFFFAOYSA-N 439.560 2.041 30 10 IEEE N#CC1(NC(=O)CNC(=O)c2ccc(Br)o2)CCN(Cc2ccccc2)CC1 474202849 WRZKSMXQDKKSEA-UHFFFAOYSA-N 445.317 2.446 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1Cc1ccon1 480948409 FTJVOFRLENWADY-UHFFFAOYSA-N 449.532 2.463 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 508868932 XXILYPHCIRPXJR-SFHVURJKSA-N 431.562 2.090 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@@H](C(=O)C2CC2)C1 513704252 GCTDHKNOCIXIAY-MRXNPFEDSA-N 437.290 2.305 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)c1 532756265 NFVBXIJABPIGMJ-QGZVFWFLSA-N 438.549 2.217 30 10 IEEE CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2 551677610 XUHJCIMVJNGMCV-OAQYLSRUSA-N 435.546 2.083 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc([C@H]4COCCO4)n3CCc3ccccc3)CC2)n1 558945401 DBMTVVSQDQZPMB-OAQYLSRUSA-N 445.527 2.202 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1Cc1ccccc1 576682409 NSKFIGKGKKVUHN-UHFFFAOYSA-N 441.965 2.478 30 10 IEEE CCOc1ccccc1[C@H](CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)NC(C)=O 728408434 DUHFYTKSQFTXPF-IBGZPJMESA-N 429.498 2.170 30 10 IEEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Br)c1 730138800 NEDJHCILBJBUMS-HNNXBMFYSA-N 437.363 2.082 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCOC[C@H]2CCOC2)C1=O)NC1CC1 731559136 BUYKMQJVFGMUSE-KBXCAEBGSA-N 435.521 2.479 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3C)n(C3CC3)c2=O)cn1 735067862 AKSJPRWRBQFJJE-UHFFFAOYSA-N 433.537 2.301 30 10 IEEE N#Cc1cccnc1N1CCN(Cn2c(=O)n(Cc3ccccc3)c3ccncc32)CC1 742145888 ULTVYSIVXZTQBG-UHFFFAOYSA-N 425.496 2.293 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 742295727 ONTJTSBINDKAAZ-PZJWPPBQSA-N 446.573 2.037 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 747583041 VJLBIDGJISXNHH-QCPHZMBFSA-N 438.406 2.315 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 755327589 BIJWHOQEYLPPMA-MJGOQNOKSA-N 444.532 2.499 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 757733286 MKVJOWQQDWBYLV-MRXNPFEDSA-N 431.580 2.356 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 758146904 BZWROYVDEGGFHK-KRWDZBQOSA-N 425.555 2.073 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 763330149 QFJXRAKPABQNSP-AWEZNQCLSA-N 428.942 2.041 30 10 IEEE N#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)C1CC1 768179514 DWRZSGLLXXSWLR-OAHLLOKOSA-N 426.882 2.067 30 10 IEEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774291556 JDQQSADBEHHGDO-KRWDZBQOSA-N 438.569 2.295 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1C#N 777849516 WEKOXPRDZKPDOB-KQWNVCNZSA-N 445.526 2.446 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCCCO2 789967486 FYFPQIWJWOHUEM-UHFFFAOYSA-N 428.518 2.326 30 10 IEEE C#CCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 790959158 WGCBCEXURUSIHM-UHFFFAOYSA-N 440.930 2.250 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CN2CC[C@@H]3CN(C)C[C@@H]32)c(C(=O)OCC)c1C 794955482 URPJKIUCTFDDFV-CABCVRRESA-N 435.546 2.150 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 800603654 ZXJQBMKZUHSLMD-UHFFFAOYSA-N 430.549 2.413 30 10 IEEE COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 805348618 PVTPTJFEVMXKSX-QMMMGPOBSA-N 434.392 2.470 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 812353133 GYEXPPYFXQRSPJ-KRWDZBQOSA-N 434.901 2.270 30 10 IEEE O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C=Nn2cnnc2)c1 1084001284 NXQRLWXMGQRXBB-UHFFFAOYSA-N 435.444 2.119 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)CC2)cc1 1132097918 BPGSNEXFMZXGMO-UHFFFAOYSA-N 430.555 2.367 30 10 IEEE C#CCN(CC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)C(=O)OC(C)(C)C 1136544535 WTOXJNWNZDOHRB-UHFFFAOYSA-N 441.532 2.246 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)s1 1136699539 BUKFHBMWZAJMIQ-KRWDZBQOSA-N 433.555 2.019 30 10 IEEE C=CC1(CC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CN(C(=O)OC(C)(C)C)C1 1136726700 INXJGZXORMFJCV-MRXNPFEDSA-N 428.533 2.294 30 10 IEEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1180225530 DGZAZBUXHXLZJV-UHFFFAOYSA-N 430.383 2.246 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)NCc1c(I)cnn1C 1215509954 FMGLGHSNGAGOPT-UHFFFAOYSA-N 428.205 2.498 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNC(=O)c1cc[nH]n1 1286291792 YHPIJNPTCWNHSE-HNNXBMFYSA-N 430.472 2.211 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN(C)c1ccccc1 1286408826 FQFZVGDFBRMZNR-FQEVSTJZSA-N 439.585 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1286415658 IROALTHZMCFOCL-UHFFFAOYSA-N 448.490 2.431 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2OCC)CC1 1286469922 OLWJELRHUJMOEK-UHFFFAOYSA-N 438.576 2.399 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286506802 NUYNNPDQUAUQTK-INIZCTEOSA-N 425.624 2.068 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1Cc1ccccc1S(=O)(=O)N(C)C 1286529329 XLVRXAMPEBNLML-OAQYLSRUSA-N 431.562 2.105 30 10 IEEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1287125748 HZKCPBLVKOUROM-JOCHJYFZSA-N 438.536 2.218 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC(F)(F)C1 1288116491 FXNDQYKDROZKDN-ZDUSSCGKSA-N 445.474 2.387 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cnccn2)n1CCC(C)(F)F 1291194594 AIHLACUIEAJIFG-AWEZNQCLSA-N 440.462 2.157 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1295552953 DVRANEFYYFHVLK-SJORKVTESA-N 432.594 2.416 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)C[C@H]1O 1299412589 QXPREBXIIZOYOK-OQIJWPOYSA-N 427.480 2.315 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300473178 PYHNXOZFRWXSMP-GOSISDBHSA-N 448.449 2.061 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1300490122 ZXYMLXPDYLNTLS-NRFANRHFSA-N 446.536 2.081 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOC1 1300643866 VLCFTNBEKGOXJS-FUHWJXTLSA-N 449.552 2.094 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)n1 1300675470 CJHUOFZSVMHWLL-UHFFFAOYSA-N 445.531 2.211 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1300695875 NPLGVRRJJOCURO-KRWDZBQOSA-N 427.553 2.332 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@H](C)OC)CC1 1300697648 GBGASLFJWOPQLS-GOSISDBHSA-N 449.559 2.026 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1300701468 VGDHZWTYSVEKAT-UHFFFAOYSA-N 440.539 2.392 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1300719032 LVTTUSPJDODDQP-DYESRHJHSA-N 437.544 2.345 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1300733620 YNATZUWFTXUVSU-UHFFFAOYSA-N 443.495 2.228 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300760443 BKSMLJDLAMVWHO-VQTJNVASSA-N 433.622 2.435 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300777011 QBNVBZKTPGFJIN-RDJZCZTQSA-N 429.521 2.077 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC(C)C)C1 1300891661 MACZLFDJHDMYAW-IPJJNNNSSA-N 447.580 2.012 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1300971832 BIMQKROFGBOBOF-KRWDZBQOSA-N 447.609 2.349 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@H](C)C1 1300981187 SZAFGQOKQADAJF-GOSISDBHSA-N 437.552 2.044 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1CC[C@H](C(F)F)N1CCOCC1 1301968651 OEOIIQOHNHGURT-BRWVUGGUSA-N 426.512 2.472 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCCCO)CCN1C1CC1 1303010268 SNBKTWFZCJKEFH-LJQANCHMSA-N 428.512 2.335 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc([C@@H](C)CC)cc3)CC2)C1 1313282001 KBNFUOKTXCUCCF-PZJWPPBQSA-N 446.617 2.314 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(C)CN(C)C1=O 1314214809 ANSABWTWVVLQST-ZHRRBRCNSA-N 426.521 2.472 30 10 IEEE CNC(=O)CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](C#N)C1 1315052502 MJVWNLXHHFFKCM-KRWDZBQOSA-N 446.939 2.116 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1cccc(F)c1F 1342195135 MRZUJTVVLZIPID-UHFFFAOYSA-N 437.456 2.451 30 10 IEEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cc1cccc(OCC(=O)NC)c1 1351585750 IZJLELBWDHTYFS-UHFFFAOYSA-N 427.453 2.483 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2Cc3ccccc3OC2=O)c1 1354286737 VIPUMQCUHZZSFN-NMWGTECJSA-N 442.497 2.453 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1354404486 NIZWEHDTYWITNM-KRWDZBQOSA-N 427.592 2.052 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1358911992 HOGDPCLFOVOCLF-LJQANCHMSA-N 430.578 2.097 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358943773 VOEFUWMKMUQSJF-QUCCMNQESA-N 443.573 2.227 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1358956066 ZISRFRXZCYZOIE-IBGZPJMESA-N 444.601 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCCC1 1359020002 ORQWELOWJIPNEX-UHFFFAOYSA-N 449.353 2.167 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359203665 SWXGZRGYAKWXMP-MSOLQXFVSA-N 425.599 2.246 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)nc1 1359279664 OVOKHKXTASAQLJ-UHFFFAOYSA-N 431.504 2.311 30 10 IEEE Cc1c(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cnn1CCC#N 1446749953 NBQBFTPSATUSBV-JOCHJYFZSA-N 434.544 2.054 30 10 IEEE C#CCN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)C(=O)OC(C)(C)C 1455623780 RXVJOKIBZZPGFB-JOCHJYFZSA-N 437.537 2.095 30 10 IEEE C#CCN(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1455811806 AJCWCUOLRBDRSW-UHFFFAOYSA-N 446.548 2.102 30 10 IEEE CCOC(=O)c1nnn(C2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)c1C(F)F 1460599293 CWHUAFSKUOMYJE-UHFFFAOYSA-N 446.458 2.217 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnc4n3CCCCC4)C2)C1 1463931213 YGRBEWBVAMXQOT-BXFSZVDSSA-N 428.537 2.408 30 10 IEEE C#CCN(C(=O)[C@@H]1CCc2nnc(O)n2C1)[C@H]1CCOc2ccc(Br)cc21 1465180049 VAIYPZUKZSLWCA-DOMZBBRYSA-N 431.290 2.294 30 10 IEEE C=C1CCC(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1471755131 KCNVVIVTAUQVNZ-UHFFFAOYSA-N 433.574 2.162 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)c(Br)cc1C 1474863386 STGJRZVGXWASCV-LLVKDONJSA-N 426.329 2.260 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 1479209585 PEESUKNDXUZRTJ-GUDVDZBRSA-N 432.565 2.432 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1503634285 AEBHDMYDXFGJJY-HXUWFJFHSA-N 445.570 2.267 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507551840 ICNPAKATAHERGQ-MRXNPFEDSA-N 426.487 2.390 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1507622024 AKNCZYDNTOEZGW-SFHVURJKSA-N 447.605 2.111 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1507626717 BKTZXUMELKCRLH-FQEVSTJZSA-N 438.557 2.236 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cccs1 1507652970 KQKWEISGACIVTN-LJQANCHMSA-N 447.520 2.355 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)N1CCOCC1 1507658986 JQBNKTWQXURVCM-RBUKOAKNSA-N 425.558 2.337 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)COC)CC1 1507748672 MCYJAZBQXMFSLA-UHFFFAOYSA-N 448.980 2.091 30 10 IEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507777256 DHNQZKJVJLFJNK-AWEZNQCLSA-N 433.310 2.076 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)[C@@H]1C 1508094449 YAGZEKOHPUXJLE-MAUKXSAKSA-N 427.505 2.097 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(N)=O)C1 1508157318 DIPYEKNSSTWBMB-INIZCTEOSA-N 429.546 2.337 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1511543242 ITOQIRKFOWDQHR-NIVDNSEKSA-N 427.534 2.149 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCN1CCN(C)C(C)(C)C1 1518454408 DGYRYWKTIVAIBI-LJQANCHMSA-N 439.608 2.499 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2nnn(C(C)(C)C)n2)cc1 1526183504 AUMYFDKMDCWKOA-XQNSMLJCSA-N 433.538 2.273 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539117120 TXWZVKCTNTYPCC-HNNXBMFYSA-N 435.488 2.284 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnc(CC)s1 1539260966 WUTOILRMVOYGRR-UHFFFAOYSA-N 430.497 2.129 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1539350666 UKMKIESNSYNHOA-MRXNPFEDSA-N 432.546 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@@](C)=O)CCC1 1539399074 AVOSQTVCLACFKX-SSEXGKCCSA-N 431.518 2.241 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)OC(C)(C)C)CC1 1539469932 VUOVPVUYONHGDV-INIZCTEOSA-N 432.569 2.282 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1539744841 YKBOCXHMXHEAIL-IEBWSBKVSA-N 446.596 2.199 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540583442 WDIWXUNVLDFWDL-UHFFFAOYSA-N 439.520 2.315 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1540866045 AZKSOTSNGYUJCH-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1540866729 YHKAOUGFAYWPLW-ROUUACIJSA-N 441.532 2.411 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1540866778 ZUEWSJZKTTXPQX-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(CC(N)=O)CC1 1540880378 FEERCWNQYOINGS-UHFFFAOYSA-N 433.516 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 1540897702 PURMTJHCGFMTKM-GOSISDBHSA-N 431.562 2.011 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1541095793 KRFIYUFXNYLNOJ-PZJWPPBQSA-N 438.532 2.260 30 10 IEEE C#CCN(CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)C(=O)OC(C)(C)C 1543754419 PWLUQNXAAXOQKP-OAHLLOKOSA-N 426.477 2.287 30 10 IEEE CS(=O)(=O)C[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 1545718993 YOKJNELTRDZTJK-FQEVSTJZSA-N 427.526 2.286 30 10 IEEE CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)N1CCCC1 1545992209 GIDOVWLHSADJIQ-OALUTQOASA-N 434.610 2.185 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1555494022 DFMXYCZXLFRAMS-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE C#CC[C@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)C(=O)OC 1556971239 SYBDOVZXNSSDRJ-HNNXBMFYSA-N 425.441 2.108 30 10 IEEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1Br 1558214888 OJHVIPVIAGODGI-LLVKDONJSA-N 437.319 2.150 30 10 IEEE CNC(=O)c1ccc(CS(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1561547122 GFABYNJWQFNCSE-UHFFFAOYSA-N 431.489 2.430 30 10 IEEE CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 1562831301 FYFUGACQTMDFKT-UHFFFAOYSA-N 437.566 2.472 30 10 IEEE COc1nc(N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)ncc1Br 1564981113 BJGASRLUOQANJN-UHFFFAOYSA-N 445.321 2.346 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(N4CCOCC4)CC(OCC)C3)n[nH]2)c1C 1568413130 BYWJFQYGAGLGRH-UHFFFAOYSA-N 442.564 2.076 30 10 IEEE C[C@@H](CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1585237276 PTMUYXOMEGXRIN-HNNXBMFYSA-N 437.525 2.177 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)ccc1F 1587456710 GERNFDZZIWLCNS-CJNGLKHVSA-N 441.525 2.418 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1587766234 RGFCJDRDCOIJGI-IBGZPJMESA-N 432.546 2.465 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CCCN2CCOCC2)CC1 1587798685 QWRDJKKPDSTXPK-UHFFFAOYSA-N 430.597 2.159 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1587809133 ZOBDYNTXAXIIJW-GOSISDBHSA-N 442.539 2.181 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1589150713 JIHHZDXPNRRUDD-VWKPWSFCSA-N 429.546 2.057 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1595296457 FXUVBIAQPMNBDJ-QGZVFWFLSA-N 428.493 2.095 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1595454034 DVBZVBPDTACQIB-UHFFFAOYSA-N 438.469 2.137 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@](C)(CC)C1 1595517036 NGZBQCUMBURGIR-JOCHJYFZSA-N 427.505 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1595798928 VQBQFOMYMOPKPE-LJQANCHMSA-N 448.593 2.238 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 1596375701 SOZUMKMVOHOZNP-CJNGLKHVSA-N 433.310 2.190 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(Cc3ccccc3)no2)s1 1597915161 LCYJNFAOMASVQF-UHFFFAOYSA-N 432.527 2.045 30 10 IEEE C[C@@]1(C#N)CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCO1 1611485021 JRFJFAKSXGBYOV-LJQANCHMSA-N 431.426 2.117 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@]3(N(C)C)CCC[C@H](C)C3)CC2)c1C#N 1612469574 CHSJYPBPGAXQIQ-GAJHUEQPSA-N 439.612 2.337 30 10 IEEE COCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1619816199 SJTVLORFTYADNT-MRXNPFEDSA-N 431.493 2.126 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1620347110 NYQYVHCPXBKUAV-RXVVDRJESA-N 447.536 2.229 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c1N 1623696571 DBIDPWCLZBLDKN-LPHOPBHVSA-N 431.374 2.076 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c1N 1623696573 DBIDPWCLZBLDKN-QFBILLFUSA-N 431.374 2.076 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1627392312 AGVAQTFUXUQCTB-NDDJGDGRSA-N 435.528 2.146 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)cc1 1627416646 KFXILYOWDCVDEX-UHFFFAOYSA-N 431.496 2.236 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)cc1[N+](=O)[O-] 1628955572 SYXUOCMHLOZZRZ-KBPBESRZSA-N 427.461 2.469 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1634215565 CHQZEAURIHTOEU-NUJGCVRESA-N 442.603 2.385 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCC(C)CC1 1638761199 KIGOZDDHZXGDPF-SFHVURJKSA-N 435.590 2.067 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(NC4CCOCC4)CC3)ccc2c1=O 1651962665 DJLYNBPSIIARCD-UHFFFAOYSA-N 428.558 2.244 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)CC1 1655389595 NHSXOFSSUZBGSX-UFYCRDLUSA-N 433.597 2.153 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](Cc1ccccc1)c1nccn1C 1674097614 IATPIYQEURBKBM-MJGOQNOKSA-N 430.516 2.286 30 10 IEEE C=CCN(CCOC)C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1687665867 UKCOHACQPPVNRX-MRXNPFEDSA-N 425.526 2.163 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689826275 LBDOJJMHFNAWBF-HUUCEWRRSA-N 435.454 2.268 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690126030 SDQXJFIOKRREEP-FPOVZHCZSA-N 443.979 2.329 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1690157353 DSRLVGSYOBTYES-MRXNPFEDSA-N 446.552 2.385 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@H](C)C1 1690246925 XTMJDZMXOVDIGP-ZKXLYKBJSA-N 440.635 2.492 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1690380377 MKVWTGFAPRMFJS-OALUTQOASA-N 430.597 2.445 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690508534 KRNMPYMABWVVAM-OAQYLSRUSA-N 446.640 2.370 30 10 IEEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CCC(=O)N1CCOCC1 1690534550 BGHXEGKVOVQYCR-UHFFFAOYSA-N 431.562 2.450 30 10 IEEE CC1(C)CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1692867504 GOOVYRXXRJPGAH-WUKNDPDISA-N 430.553 2.496 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1694212443 CAZBRBQFLTVGEG-OXQOHEQNSA-N 437.548 2.226 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)C[C@H](C)C#N)CC1 1695866596 AAASRUUCKXAUIO-MSOLQXFVSA-N 439.564 2.296 30 10 IEEE CN(C)[C@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1696604890 YYMXAPAUEVDQGH-PXNSSMCTSA-N 443.533 2.019 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1698491478 CUHPZZIFKNAUDC-JKSUJKDBSA-N 439.486 2.243 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1705495637 SIOSAFUSVUUZKH-ZIAGYGMSSA-N 441.479 2.295 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(OC(F)F)c1 1705585122 LHDMFPLNIAHEBL-UHFFFAOYSA-N 425.443 2.257 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705659395 UWSUEFPSKATVBA-JKSUJKDBSA-N 430.578 2.291 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N2CCOCC2)CC1 1705766280 USMMFKXFCVRYFH-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(CS(C)(=O)=O)c1 1706076371 BOIHUXSCACWJBM-KRWDZBQOSA-N 438.557 2.453 30 10 IEEE CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(=O)NCC(F)(F)F 1706318287 PLPQFVXYTPGNBO-UHFFFAOYSA-N 448.387 2.102 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1708254493 HOLXSPGVFYWCBE-RYRKJORJSA-N 426.521 2.101 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1708342271 CUULDNFDOIYBOW-MWTRTKDXSA-N 440.548 2.085 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1Cc1ccc(C#N)o1 1708761590 YKGUYBZCAILPQK-LJQANCHMSA-N 444.536 2.340 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCO[C@@H]1C(C)C 1710697790 KUSPXEWHOORARE-MGPUTAFESA-N 426.521 2.411 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1C[C@H]1C 1712557506 SFENXTVWNHDTGZ-LMMKCTJWSA-N 425.537 2.251 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1722279107 AEBFSXUQKGMRCR-WNSKOXEYSA-N 446.515 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1722295899 WNLMHTFTUMSEKC-MOPGFXCFSA-N 448.612 2.429 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722329510 HILBIOJEKDKKOV-UHFFFAOYSA-N 437.592 2.442 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722406637 TYRWLEAQAPEXRQ-UHFFFAOYSA-N 448.545 2.008 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1ccnc1C 1722447376 LQXCCWXSKGMSFF-UHFFFAOYSA-N 446.515 2.275 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](OC)C(C)(C)C)CC1 1722448978 JWNIFQGTJLLFLK-FQEVSTJZSA-N 438.576 2.291 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1722483824 NDTKOGUBJWEFNY-UHFFFAOYSA-N 449.353 2.228 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722693340 KQCSMVZKCBSMGY-YGKZAACZSA-N 441.532 2.029 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccccc2)C1 1722709353 OKGPTLRPMMFDKA-AUSIDOKSSA-N 425.533 2.203 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(N)=O)c1 1722898233 FUMZGBQRIQUKRK-UHFFFAOYSA-N 431.500 2.258 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCO[C@H]1CCOC1 1723307330 FJLSKDDZUQPSHA-SFHVURJKSA-N 426.521 2.207 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1728607370 ZAZBCGFBMBAFKD-KNKQGSTJSA-N 437.592 2.050 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1729454989 WFUNTGQOAQEIID-CYBMUJFWSA-N 425.461 2.175 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)C[C@H]1O 1729782391 DRTNBYHCZNPXAO-GUDVDZBRSA-N 441.532 2.238 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1n[nH]c(C)n1 1740536763 MHFQQUZMWLGBHV-ZDUSSCGKSA-N 425.493 2.098 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740576388 WBSUSDRXVXQNNR-FQEVSTJZSA-N 428.581 2.068 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740719422 FIRBWMMNLCKNMR-UHFFFAOYSA-N 443.577 2.016 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COC)CC1 1740761976 BCEJYHVQGLAKFI-RXVVDRJESA-N 445.589 2.207 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H](OC)C(F)(F)F)CC1 1740818876 XOJGUSKCTFYORG-CHWSQXEVSA-N 425.477 2.012 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2Cc3ccccc3O2)CC1 1740832711 GVFDTSCGJIXKOC-MAUKXSAKSA-N 431.562 2.294 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1741182561 IUAKWVZVAMIKJF-VGVBMJIYSA-N 439.520 2.051 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1CCCO 1748647634 RAIOCCLGSPZJIF-DOTOQJQBSA-N 449.397 2.351 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1748664425 GMPWDCUINQQJIV-INIZCTEOSA-N 430.516 2.223 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1748671589 LDWWATLPZWOORK-AEFFLSMTSA-N 446.573 2.288 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCC 1748828783 LTQHYRDHLZBKCY-JOCHJYFZSA-N 442.589 2.171 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1748934620 BJUREZLVSLZEOP-JOCHJYFZSA-N 434.588 2.425 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749022998 OSWBXVJTYDKDSX-INIZCTEOSA-N 445.593 2.215 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749368358 SBVIVRVJOUFZIU-ZWKOTPCHSA-N 429.500 2.097 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1749499689 JZSPAGPYFYQPDM-UHFFFAOYSA-N 436.541 2.226 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1749573242 BFOZUOWUDLSJII-CVEARBPZSA-N 442.486 2.061 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749657689 AVHGECZPYNSGBB-QGZVFWFLSA-N 436.516 2.298 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749725180 SAYOXOWQPQHGPL-UFRUDQCGSA-N 446.573 2.152 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1749846751 CJUJPBOOZOJHTJ-CQSZACIVSA-N 435.444 2.423 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1CC1 1751202109 BROJURRDCTVARN-HNNXBMFYSA-N 426.546 2.464 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1C 1751555152 NVFMEDJPTKAVSQ-KDOFPFPSSA-N 439.520 2.058 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCc1cnn(C)n1 1760102694 OXTBIZMYNMVUDF-OAHLLOKOSA-N 439.520 2.190 30 10 IEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1760135405 UYIKRZIVEFXICW-KRWDZBQOSA-N 447.543 2.351 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760165854 IEDVONUSDPHMPL-OAHLLOKOSA-N 433.459 2.111 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760182265 DLORAGHHLVKPPP-QGZVFWFLSA-N 432.546 2.290 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1760183960 FNMNJHVNOGDNGU-SJORKVTESA-N 447.630 2.442 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760273885 BUNOOZMQVANOGQ-HZPDHXFCSA-N 425.624 2.271 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)[C@@H]1CC 1760279330 ZMWGHKXWOCBYJB-IBGZPJMESA-N 435.557 2.212 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760293333 SHHNAPYLWSUXOZ-XMMPIXPASA-N 445.527 2.243 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1760447565 MTLVDHFICHMUQQ-UHFFFAOYSA-N 448.545 2.280 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760453246 ZCSMPVMKVMXTIJ-FUHWJXTLSA-N 430.578 2.284 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1760522056 KRZOOZITRFEFAE-HXUWFJFHSA-N 430.597 2.177 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1761362557 DJLFPQATDGJMFA-FFRPFHMCSA-N 444.561 2.063 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H](C(F)(F)F)O1 1763083677 ZTPINFMXNLCMER-IAOVAPTHSA-N 437.422 2.388 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1764568404 GRARNEFCHZZTJE-UHFFFAOYSA-N 444.543 2.373 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)c1 1770745929 GHKPZPOUJLFSDU-NZQKXSOJSA-N 437.523 2.496 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccccc2OC)c1-c1ccccn1)[C@H]1CCN(C)C1=O 1850972216 MWFACYZQJFMSTD-SFHVURJKSA-N 432.484 2.197 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cnn(-c3ccccc3)n2)cc1 1852113491 HNTYINIKUMJAHZ-NRFANRHFSA-N 433.468 2.076 30 10 IEEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1=O 1854458591 XNZHFURSOIZXKT-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE CCC[C@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 1855469949 IDQWWPWNNCLPAB-ROUUACIJSA-N 435.521 2.472 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(SCC)cc2)C1)[C@@H]1CCN(C)C1=O 1857285815 WGWCJDOEAASRKA-UYAOXDASSA-N 429.586 2.435 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC(=S)Nc1cccc(C#N)c1 1858609360 MALURNSSDAWKBK-UHFFFAOYSA-N 430.511 2.369 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862479930 TUXLEJYPIIGYIN-FQEVSTJZSA-N 436.464 2.496 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(OC)cc1OC 1864820989 XAXYDDLNHSBMLX-ZDUSSCGKSA-N 438.406 2.453 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccccc2F)CC1 1866866381 GRTXSNFSJLMSTH-QZTJIDSGSA-N 430.505 2.280 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C 1868741063 YPJLZZQPQIINEH-NRFANRHFSA-N 449.573 2.150 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2)cn1C[C@H](C)O 1870739727 HUJPTKYKJLEKNT-SFHVURJKSA-N 441.528 2.429 30 10 IEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870904530 UTEJVNRJKDDJDC-UHFFFAOYSA-N 429.473 2.173 30 10 IEEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1871004718 UEHQBSSVGXCBQT-UHFFFAOYSA-N 446.891 2.366 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)CC1 1889497015 BIFTXYKIYIOFAD-UHFFFAOYSA-N 437.588 2.224 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)C1 1891694747 SSZFIAFUCFRCQT-XJKSGUPXSA-N 431.341 2.397 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 1891730582 PQIIBEAOMKZGAT-CYBMUJFWSA-N 428.392 2.479 30 10 IEEE CC[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2085392793 CHVYYSSYXVFGFX-YEJXKQKISA-N 432.330 2.408 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)nn1 2124521024 BBHFTJROYLVBFK-INIZCTEOSA-N 447.345 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2124524729 VYXIXENYBYGBEZ-UHFFFAOYSA-N 445.369 2.477 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]2[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124535993 YLTGWTZZNBVWCP-NUEKZKHPSA-N 444.341 2.360 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247920990 HLKZBBZRXHJFMT-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE Cc1cnc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255613587 ZMHPNVMFWDVOLZ-UHFFFAOYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255631717 DAADFLMKWBTTGP-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE COCC[C@H](CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255649532 UCSNJDZMNCEYHD-CQSZACIVSA-N 438.330 2.238 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCN1C(=O)OC(C)(C)C 2255665730 JQDQIMOPBCXUEK-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255711901 GBPOWESFXCAMRR-PEBXRYMYSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255819256 YJFQUGCLZZHTHP-UHFFFAOYSA-N 438.330 2.240 30 10 IEEE CC(C)N(CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255824703 MXGOITXMTHKGMP-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826317 ODKLFNMZADRLIJ-CQSZACIVSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258958107 TYDFZONNLOKPEG-OPAMFIHVSA-N 434.342 2.011 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2267008460 HCGUFXFBVGLNAF-INIZCTEOSA-N 435.337 2.455 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267092270 VDDYLEPUAGXHFK-LSDHHAIUSA-N 448.373 2.426 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@]2(C)CCN2C(=O)OC(C)(C)C)n1 2267187977 GGRUEKNRWBOUEZ-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267193773 KGMDIGIHGIRAAZ-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)n1 2267497706 FFLOTHOVSVOMAH-LJQANCHMSA-N 438.381 2.360 30 10 IEEE Cn1cc(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504388 RGDJDWOCTMAFKM-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE Cn1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)cc1B1OC(C)(C)C(C)(C)O1 2267549767 PMKOQJXYKWPZEI-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268652639 VPGYYYPWCAWICT-JLCFBVMHSA-N 447.341 2.249 30 10 IEEE O=C(O)CCCNC(=O)COc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O 33491641 GNDVNOHAIYLOQR-DJKKODMXSA-N 425.393 2.391 30 10 IEEE CC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)/C(N)=N/O 155813559 GVFRQEBRBBYJNZ-VIFPVBQESA-N 429.134 2.323 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cn1 462085921 CRLSBTIRNLBNKM-RLLQIKCJSA-N 427.468 2.417 30 10 IEEE COc1cccc(F)c1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466122910 MHIUAYWSAXJFTG-OAHLLOKOSA-N 446.504 2.483 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)c(F)c1 481037625 LCGSGVZEUCOWRA-UHFFFAOYSA-N 444.532 2.246 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2cccc(OCCN3CCOCC3)c2)c(F)c1 481056440 JYKOORCGMURRED-UHFFFAOYSA-N 433.505 2.028 30 10 IEEE COc1ccc(CCC(=O)N2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489246347 CIHHULLMUZPITO-UHFFFAOYSA-N 442.541 2.126 30 10 IEEE C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CSCC(=O)O 504720357 QRLZYWAWVZEQOG-WIDXQZQASA-N 434.554 2.383 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4nc(C(F)(F)F)ccc4C#N)CC3)C2=O)n(C)n1 505820749 UEDADTFGUAMAIC-MRXNPFEDSA-N 447.465 2.332 30 10 IEEE Cc1ccc(C)c([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@H](C)CO2)c1 519572720 NZHRHOIJLDPPGM-UTKZUKDTSA-N 427.526 2.442 30 10 IEEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@H](Cn4cncn4)C3)c2)c1 522789198 GYKHOARGJDTYDP-FQEVSTJZSA-N 431.456 2.335 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 525016210 JUYFSQAZHBJHCK-SJLPKXTDSA-N 431.464 2.473 30 10 IEEE COc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1S(=O)(=O)N(C)C 535991560 LOLJSGBEHZXFHA-UHFFFAOYSA-N 429.907 2.271 30 10 IEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1Cl 541665907 SVEQASDHFNABEE-UYAOXDASSA-N 438.915 2.477 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC4(C3)Oc3ccccc3O4)C2=O)cc1 564754523 FPXXEUJUNBDBRN-QGZVFWFLSA-N 432.436 2.163 30 10 IEEE C=CCOc1cc(NCC(=O)c2ccc3c(c2)N(CC)C(=O)CO3)ccc1-n1cnnn1 586268778 IOUVLEPHQKLSRI-UHFFFAOYSA-N 434.456 2.267 30 10 IEEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)C[C@@H]1CCCO1 670198105 LEAGPINGBPYIMQ-NRFANRHFSA-N 438.576 2.427 30 10 IEEE COC(=O)CSCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 729818610 BIQDDWUHRUNCEZ-HNNXBMFYSA-N 439.534 2.332 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1CC(=O)NC(C)C 730708771 IQDYZFHGSSPLFT-INIZCTEOSA-N 440.529 2.270 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1CCN(c2nc3ccccc3s2)CC1 732455116 HBGZHGMXBUOFNZ-VHEBQXMUSA-N 440.529 2.091 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccccc1 732795603 OWAYTQBUFLTMQL-UHFFFAOYSA-N 449.580 2.011 30 10 IEEE CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)[C@@H]1CCN(c2ccccc2F)C1=O 732812351 AJVDUNAKZXWEDS-HNAYVOBHSA-N 433.443 2.388 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)c1 751642331 VQQYXLOIIQSNMR-QGZVFWFLSA-N 426.454 2.499 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1-c1ccccc1C 752195429 VMHITHAPVWFXDE-UHFFFAOYSA-N 436.562 2.032 30 10 IEEE CC[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)O1 757302429 AQILXPQYPLKLEN-QRQLOZEOSA-N 433.530 2.466 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)c(F)c2)c1=O 758090468 RLSOTIKTPDLKDZ-UHFFFAOYSA-N 432.476 2.385 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780749763 RLQFLSBNADKFCH-ZDUSSCGKSA-N 431.518 2.357 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 794626661 VCNZCZRWMLQGTG-INIZCTEOSA-N 440.546 2.306 30 10 IEEE Cc1cc(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)n1C[C@@H]1COc2ccccc2O1 798740766 BNRMNGXURGOJLN-IAGOWNOFSA-N 449.467 2.395 30 10 IEEE COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)CCc2c(C)nn(CCC#N)c2C)nn1 816072226 BOZFVMJVRGCVEG-RTBURBONSA-N 428.493 2.451 30 10 IEEE CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 856431824 CCDDWCAGRRICPD-ZGOJQLDESA-N 435.546 2.461 30 10 IEEE Cc1ncc(S(=O)(=O)N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C#N 856552031 FWYHGEJEALZSJG-FQEVSTJZSA-N 429.546 2.339 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1C(=O)COc2ccccc21 923285225 BZHDXZCPDLVYKV-INIZCTEOSA-N 437.452 2.299 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)s1 1142104899 BWFHRYBWPFSLDJ-UHFFFAOYSA-N 435.502 2.091 30 10 IEEE Cc1ccc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)cc1S(=O)(=O)NCC#N 1156513001 ZZBFOPHZNPTQBA-UHFFFAOYSA-N 437.481 2.087 30 10 IEEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 1161749356 NYCDUXHLCNKBPG-GOSISDBHSA-N 440.569 2.238 30 10 IEEE C=CCn1cc(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)nn1 1162480905 XSYWQWBRNVBVGM-SFHVURJKSA-N 443.504 2.107 30 10 IEEE CS(=O)(=O)c1ccc(OCCCC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 1265539898 XCPHSKSQJGSXNO-UHFFFAOYSA-N 439.497 2.399 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)[C@H](C)CC 1286413342 IUOHCAFBPWDUTG-HXUWFJFHSA-N 434.592 2.255 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1286447560 LPWKSLARZCTEFK-OAQYLSRUSA-N 441.601 2.284 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2OCC[C@H]2C)n1 1286470855 DFAVVCROCXYRLD-WIYYLYMNSA-N 435.532 2.248 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286478375 AXVORLTWSNMYRS-UHFFFAOYSA-N 439.564 2.271 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286505164 YZYSJWFKZWLDJT-SFHVURJKSA-N 425.566 2.095 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCOCC 1286553517 FGUSCYWXMDBOTR-KSZLIROESA-N 426.583 2.024 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286684867 NPKIKXGNMLSJII-UHFFFAOYSA-N 437.552 2.469 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@@H]1CC 1286781417 YQSIMWXUPBWGHJ-MSOLQXFVSA-N 440.548 2.052 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(c2ccccc2)CC1 1286789025 MYYUIBNRJLKVNJ-UHFFFAOYSA-N 431.544 2.283 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286829567 FCSDVYYLGBCKOP-UHFFFAOYSA-N 441.561 2.088 30 10 IEEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1293408983 AOIIWIUEGCNWAB-KRWDZBQOSA-N 446.577 2.247 30 10 IEEE O=C(NO)c1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 1297053903 DVJVSXHNFBRGOQ-UHFFFAOYSA-N 435.477 2.049 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1299335191 PUFGCLKERMHZJM-GOSISDBHSA-N 448.483 2.116 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300499611 VNWXBDZTIRYJTF-UYAOXDASSA-N 425.558 2.247 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1300758275 CFHSYYNZFTUYGS-LJQANCHMSA-N 429.546 2.257 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccccc1 1301007059 BBNJZGJGOPJMSY-HXUWFJFHSA-N 438.576 2.490 30 10 IEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301259172 FIQRZLFKSVNRJO-UHFFFAOYSA-N 441.561 2.110 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)C1 1301555293 AWWQSBZWBILAQS-DOTOQJQBSA-N 438.500 2.288 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)C1 1301568658 VZPBPJNMNSGYJX-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)C1 1303950163 DHPXOSIYDPLPTN-HSZRJFAPSA-N 431.500 2.068 30 10 IEEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1c(F)cccc1Cl 1306892675 KYRIFFRETCJVKM-UHFFFAOYSA-N 433.823 2.113 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)Cc3c(C)cccc32)CC1 1307604029 PCQSVSVCDKSCHP-UHFFFAOYSA-N 426.561 2.330 30 10 IEEE C=CCO[C@H]1CCN(Cn2c(=S)oc3ccc(S(=O)(=O)N4CCOCC4)cc32)C1 1320888807 NGSZIKJEVUNKKS-HNNXBMFYSA-N 439.559 2.219 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 1357251982 GXNFXHCWPNMNFO-UHFFFAOYSA-N 425.246 2.040 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1358920051 RDODSXBBRVRVTG-CYBMUJFWSA-N 430.372 2.181 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ncccc2Cl)CC1 1359034850 DZWZGSJSZVOWNW-QGZVFWFLSA-N 430.940 2.055 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1359106468 FJPUAFFVVSJIMZ-HNNXBMFYSA-N 432.491 2.082 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CC1 1359560759 HBQSYHJRLDKLGQ-QGZVFWFLSA-N 446.552 2.241 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1449501671 ATCOBITYHUDTCK-MSOLQXFVSA-N 446.552 2.118 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(-c2ccccn2)cs1 1452499171 XFFKVSQXIKZRDU-CYBMUJFWSA-N 427.511 2.060 30 10 IEEE C=CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 1458024875 IHIDUFSDVKFDTQ-UHFFFAOYSA-N 445.541 2.112 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](N4CCOCC4)C3)C2)C1 1468182634 VHWKCSYZWSYPRM-FSTYKVKCSA-N 432.565 2.096 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OC)co1 1475678842 UYMNNPUPCILDKJ-UHFFFAOYSA-N 426.491 2.090 30 10 IEEE CC[C@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1496299108 ABNRTCRLLZFYKL-SXKCCIOGSA-N 432.569 2.437 30 10 IEEE CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1501532165 PGVDTDNGZHHSDO-OEAGWNGGSA-N 446.552 2.080 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1503214107 QWTDUVKLDAFCJU-SFHVURJKSA-N 438.532 2.260 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2COCCO2)cc1 1504308000 YPYKXHFIHDHGAB-HXUWFJFHSA-N 427.505 2.411 30 10 IEEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1504542417 AMUUTWFVKLEMCC-LJQANCHMSA-N 437.548 2.483 30 10 IEEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507579118 LFEGLJAOGOUYST-OAQYLSRUSA-N 448.571 2.161 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507626543 ASNYWCCVXIEWDJ-CTNGQTDRSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507628680 HXIMWZCTARNJGN-HRAATJIYSA-N 432.521 2.280 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1507635065 PFOFWHYJXKRWSD-NRFANRHFSA-N 442.585 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(CC)C1CC1 1507669941 VPHONUNTEDAXJH-UHFFFAOYSA-N 446.603 2.399 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCNC(C)=O)CC1 1507721893 ZUFGAXAMILDZKU-QGZVFWFLSA-N 440.617 2.413 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507845049 VXCIFROOVJBZBN-OAQYLSRUSA-N 443.596 2.211 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1507845062 WCWOLFAREGHZJZ-HNNXBMFYSA-N 439.969 2.458 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1507915962 HVVYFGHFYZIAST-QGZVFWFLSA-N 449.621 2.374 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1507982530 NBFSLWLMYRZOJQ-OALUTQOASA-N 427.553 2.126 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1508000007 RPUYEIFTEPXBAQ-AUSIDOKSSA-N 436.516 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1508078417 AGJMHVNOIZMWCR-SJORKVTESA-N 442.564 2.183 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1508105146 LTFHDTRVAJYJTC-HSZRJFAPSA-N 441.532 2.025 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1508134714 HIBSDMOUHIIHNB-OALUTQOASA-N 429.546 2.150 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1Cc1ccc(C#N)o1 1513987464 KRDRGQDZMYHEIL-KRWDZBQOSA-N 436.472 2.093 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)CCC1 1515976157 CZXRTOCBQBUDOB-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE CO[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1518575455 GCZPYXOFTJTLEI-HKUYNNGSSA-N 429.546 2.113 30 10 IEEE COCCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1533948528 KTUOJFJAYUKKRM-MRXNPFEDSA-N 428.876 2.301 30 10 IEEE COc1ncc(NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)cc1C#N 1535491207 UCKGSGMFZUKYRZ-VIFPVBQESA-N 429.230 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1539015677 VRTBQZMORVALJF-HOTGVXAUSA-N 428.541 2.027 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cn(CCCCC)nc2C)CC1 1539446623 HJPOTGSVYOCQDB-FQEVSTJZSA-N 425.581 2.281 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539669168 MNTCHHKZJGRBCP-AWEZNQCLSA-N 425.580 2.234 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540161985 JNPWYEKHULEMCD-INIZCTEOSA-N 445.545 2.134 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1540870149 GBXVBQRGUDJTAD-CQSZACIVSA-N 429.443 2.170 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1541124808 WYZNHMCRRZVQJT-YYAJDYIMSA-N 431.562 2.500 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=CS(=O)(=O)CCC2)c1 1542096877 ZYQLISHVQFCDLD-DYTRJAOYSA-N 439.559 2.311 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1546024305 AENVKXRNJMICRX-MRXNPFEDSA-N 448.593 2.342 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](F)(C#N)C1 1555816698 ROEQDULHZLDSLS-LJQANCHMSA-N 432.481 2.073 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)o1 1555990276 XYAOOUYMVZBBPK-IUODEOHRSA-N 438.410 2.147 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)nnc1-c1ccco1 1556699152 NCBBVOUWQBZIBZ-CQSZACIVSA-N 441.517 2.417 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1557712613 AQIMPMFODODUBQ-MJBXVCDLSA-N 433.933 2.119 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1559843489 FTTBDOXATOYFHZ-OIJAAMDRSA-N 425.938 2.315 30 10 IEEE COc1ccccc1[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1564690567 UGNPUDLKCZPKJK-RBBKRZOGSA-N 434.496 2.451 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(F)c(S(=O)(=O)NC)c3)n[nH]2)c1C 1568939153 MFDPUNPMXKFYBA-UHFFFAOYSA-N 432.481 2.376 30 10 IEEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1583967807 LOTFKOATXNJYSI-SFHVURJKSA-N 435.590 2.450 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1588055724 YQKNIFXOEHCTOG-INIZCTEOSA-N 430.521 2.234 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)COc2ccccc2OC)CC1 1588800617 LGPUIGDVHIAWCD-LJQANCHMSA-N 449.559 2.158 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCOC 1589504713 JBUIATIDLPJTMS-AZUAARDMSA-N 438.536 2.375 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589515657 QRWMCWDJLDQUSF-LMMKCTJWSA-N 448.593 2.020 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCC)c2)CC1 1594096717 GDIWRYZXPYVAAT-IBGZPJMESA-N 443.573 2.135 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)COC1 1595239438 KFCQAYJXGPBMDN-IBGZPJMESA-N 430.574 2.452 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CCOC)C1 1595490691 XGHYWUSMTRWIOG-CYBMUJFWSA-N 437.342 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1595798820 UDMHRCWXKRXDIJ-LJQANCHMSA-N 449.621 2.279 30 10 IEEE CC(C)(C)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597168794 MWDLMJMBSUGWRP-FTHOYRMOSA-N 442.564 2.355 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1611781487 FZLZIJCCIWLMTR-LAUBAEHRSA-N 435.594 2.251 30 10 IEEE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1617599048 DQDHTFIGRVYOKC-UHFFFAOYSA-N 446.515 2.133 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618508371 QJQLJBOZGSMNGO-UHFFFAOYSA-N 431.500 2.252 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(N)c1 1623494046 AHHLWBHCPZXCQS-HXUWFJFHSA-N 430.505 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 1624771878 PVZPVMHBXZODJG-KRWDZBQOSA-N 438.488 2.494 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)s1 1625747410 MCWFFTDEKAURTH-ZDUSSCGKSA-N 437.543 2.367 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C[C@H]4CCCO4)CC3)C2)C1 1628226942 AHQWZDYRVFTNFK-CXVUKDAWSA-N 432.565 2.096 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1629999746 HVNXADQQFOTYMF-LJQANCHMSA-N 436.597 2.249 30 10 IEEE C[C@@H](COc1c(F)cccc1F)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1632596689 GSURUBPXYLXYNB-ZDUSSCGKSA-N 437.468 2.367 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c(OC)c1 1639962648 PEMOMHMGPSVWKX-SFTDATJTSA-N 437.496 2.372 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)cc1 1641713692 FUKQLTNOAPKGJM-IBGZPJMESA-N 429.542 2.164 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c1 1642885576 OVEMURKGZHPZLP-UHFFFAOYSA-N 425.551 2.480 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)C2)nc1 1645084591 AFOIZVAUVJGUGU-INIZCTEOSA-N 447.948 2.378 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c(C)nn(C)c1Cl 1666116477 KMLYFBQUOPAIMZ-UHFFFAOYSA-N 430.958 2.405 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C(=O)NCCc1ccccc1 1669590983 CFDSMNMLDWTTLI-CYBMUJFWSA-N 436.331 2.346 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@@H]3CSc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1680741396 JTVKLKDBLXPJBI-WNMQOVRZSA-N 442.360 2.176 30 10 IEEE C#CCC[C@H](O)CNC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1687574737 SEJWQHRMDKDZDV-NRFANRHFSA-N 444.576 2.313 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1689854485 AWLVQVYKCQNWDC-FQEVSTJZSA-N 443.555 2.071 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1689916732 UNRJQEHTXYCDOI-XUVXKRRUSA-N 428.558 2.481 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689986029 HIPAFNSPLORMKF-SFHVURJKSA-N 443.573 2.316 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1689989953 KDAAXYBWATVKQR-KZNAEPCWSA-N 438.619 2.085 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1690024259 YKAFFKFWMOGTNK-SFHVURJKSA-N 448.543 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)(C)C 1690054156 OQYGDOAHHGFECS-UHFFFAOYSA-N 440.573 2.037 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690059544 RXPXOMRTCJLGOO-PBHICJAKSA-N 428.468 2.005 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690348793 BCSMWWNNVUQRBG-OXJNMPFZSA-N 443.983 2.005 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690408333 FJCILJJPERTQKV-GOSISDBHSA-N 433.507 2.494 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCCC2)C1 1690674991 MOVWHHXHIWDNFW-UHFFFAOYSA-N 428.562 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1690729516 OSTJPMHNYRMUFG-IRXDYDNUSA-N 432.546 2.455 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690752978 WTUCSIPFLNHROA-GOSISDBHSA-N 435.594 2.124 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690753004 XLSCCFDKTSWJFP-OEMYIYORSA-N 438.594 2.306 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1690994035 UWEJVXTXCWXSLU-QAPCUYQASA-N 446.939 2.263 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCS(=O)(=O)C1 1694752973 AQBHQWNMBKJKGJ-IEBWSBKVSA-N 429.546 2.115 30 10 IEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC(C)C)C2)CCOC1 1697225879 HRTIVZKCIMPFJF-REWPJTCUSA-N 441.532 2.252 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(C)c(OC)c1 1698256167 ZPTPHFOQCINGLK-ZJOUEHCJSA-N 441.532 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(O)CCN(C(C)C)CC1 1705600178 OPDPLPNQLSAHKH-UHFFFAOYSA-N 440.617 2.332 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)NC(=O)OC(C)(C)C 1705625996 FHXDYINEYTWXGQ-UHFFFAOYSA-N 431.541 2.068 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1705634385 UAHQYYMGXXFOOL-SSEXGKCCSA-N 429.590 2.256 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705730771 NRVZCJNLAAYUGC-UZLBHIALSA-N 443.614 2.122 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1705932374 CZOZVCVDCFSGTA-KRWDZBQOSA-N 427.534 2.016 30 10 IEEE CC(C)NC(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@]1(OC(C)C)CCOC1 1706647948 DFTZJOXWXCNSLT-QHCPKHFHSA-N 440.548 2.351 30 10 IEEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccsc1 1710992040 BWOFISDGIOCGBX-IEBWSBKVSA-N 435.557 2.493 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCSC2)cc(OC)c1OC 1711653598 FYAODZHFPZYSQP-HOCLYGCPSA-N 445.545 2.453 30 10 IEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)c(OC)n1 1711838650 HSGSSJMEBQJXBO-UHFFFAOYSA-N 449.515 2.238 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@]2(O)CCSC2)cc1 1712879494 CDYTVLZFXXIKPK-MAUKXSAKSA-N 439.463 2.452 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1722362409 UDSAHOXICXBYTF-INIZCTEOSA-N 429.571 2.329 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722364050 DNTVPRUKCXBPJN-FQEVSTJZSA-N 439.516 2.078 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722406211 VPLQACNELHTJFL-APWZRJJASA-N 429.487 2.274 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)CC1 1722568607 SJRZZPIETKOQAU-UHFFFAOYSA-N 432.619 2.475 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722626493 CZEFSWAHTFLBLU-ZDUSSCGKSA-N 439.442 2.057 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726907060 DJDLVNKJFYRZJF-NMQZXRHPSA-N 442.564 2.449 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)cn1 1729526851 RSSKKVSSUJCBHW-UHFFFAOYSA-N 428.493 2.270 30 10 IEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1731008181 FOZMCBOCRAPLNK-FQEVSTJZSA-N 447.586 2.107 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CCOCCCO)c1 1731179562 UOGGEDIBDROROG-NRFANRHFSA-N 425.533 2.469 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740577251 XAYPJCIEUCJWSM-UHFFFAOYSA-N 431.544 2.454 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1740585675 ZIUDHDAKYFYBLF-KRWDZBQOSA-N 429.496 2.266 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1740801509 BEOIHUQKQLYEQR-OAHLLOKOSA-N 426.949 2.139 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740848514 LGGDSKHLIZWVKO-QGZVFWFLSA-N 439.564 2.205 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@](C)=O)CCC2)C1 1740973390 XATASUIJIUIVQC-CJHUWTACSA-N 438.594 2.013 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nnc(C)s2)C1 1740973495 YGWYDTPIRKQQSH-OXJNMPFZSA-N 434.566 2.114 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN2CCN(C)C(C)(C)C2)C1 1740976199 HFTLQOGJXQGAFC-HXUWFJFHSA-N 425.581 2.147 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1741700080 GVCRYPJCJKLDGT-UHFFFAOYSA-N 436.495 2.135 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1741803127 NSUHRPNGPIHNEO-QAPCUYQASA-N 429.546 2.292 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CC=CCC2)c1 1748692299 GBKXWKHZWOKVMI-NRFANRHFSA-N 448.571 2.490 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCN(CC)CC1 1748773722 CTXOFMZXVYVABG-LJQANCHMSA-N 432.576 2.431 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748815102 NJIWHCWYMUQIAU-MJGOQNOKSA-N 445.589 2.336 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1748934622 BJUREZLVSLZEOP-QFIPXVFZSA-N 434.588 2.425 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[S@](=O)C(C)(C)C)CC1 1748999735 DLKOZKHGUYQLCO-HKBQPEDESA-N 447.580 2.299 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749032338 CXGOXXSTQDVMFY-UHFFFAOYSA-N 431.566 2.102 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1C(C)(C)C 1749139949 KBJCPWQDPVUZOF-OTWHNJEPSA-N 431.581 2.384 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1749232966 ZQMXDCUICXTSQG-IBGZPJMESA-N 427.549 2.433 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1749595628 CLRRYVWVMHXOBP-GOSISDBHSA-N 433.578 2.316 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)C1 1750379008 AMQAZJICHDDBLU-DYESRHJHSA-N 447.536 2.478 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185804 DVMSIQVHGHJYJB-NRFANRHFSA-N 442.585 2.231 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1760189089 NHWNEQXNXLVIRU-MRXNPFEDSA-N 442.570 2.065 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760309695 FEGOHVDFTFIFTG-FQEVSTJZSA-N 447.381 2.474 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760449745 SXTKMJGKLNWURC-NRFANRHFSA-N 439.608 2.457 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760457483 UNNHLUJAQSTLDA-VZCXRCSSSA-N 438.488 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC)[C@H](C)C1 1760516191 XPOJTGGMSFGIPR-QGZVFWFLSA-N 434.548 2.168 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760524874 MASKEUXPZWVYSB-LJQANCHMSA-N 442.539 2.051 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1760528568 GTUZLAZGADJJGH-QWFCFKBJSA-N 449.596 2.131 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1761357571 FSNLXHHDWYKWAW-CYBMUJFWSA-N 444.446 2.496 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCS1 1763179387 VBHVHGQFJQCEKM-IERDGZPVSA-N 429.546 2.476 30 10 IEEE CCN(CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1765258683 BSACZFUQAXGKRI-PXNSSMCTSA-N 426.521 2.250 30 10 IEEE CN(C)C(=O)C1(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1766845467 AIGHGFKWPPUKIZ-QFIPXVFZSA-N 425.512 2.354 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)N(C)Cc1ccccc1 1770173629 RDASIZPPWBOASP-LMNJBCLMSA-N 440.548 2.399 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC2(F)F)C1 1770726876 AXMNBPVTYNCSLF-JKIFEVAISA-N 431.484 2.448 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CC1 1770754585 YLZPMMZVWNUXAP-UHFFFAOYSA-N 449.968 2.159 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC1CCCCC1 1771189823 YIDUTLULSPHXCQ-HRAATJIYSA-N 436.532 2.283 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1771543285 AHZYFKDNRRYOEN-SJORKVTESA-N 437.454 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](COC)C1 1772660232 ZJTUSIDYJQRFPT-INIZCTEOSA-N 448.545 2.137 30 10 IEEE C[C@@H]1CCc2nn3ccnc(N4CCN(CC(=O)Nc5cccc(C#N)c5)CC4)c3c2C1 1848503859 RNKVLYHMMSTTHT-QGZVFWFLSA-N 429.528 2.486 30 10 IEEE C=CCN(C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)[C@H]1CCN(C)C1=O 1851169785 ZJDLOQIYCYFDHR-HNNXBMFYSA-N 434.345 2.005 30 10 IEEE N#Cc1cccc(C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)c1F 1852319052 SBSMWOPGAKVGIS-MRXNPFEDSA-N 430.457 2.319 30 10 IEEE CN1CCC[C@H]1C(=O)O[C@H](COc1ccccc1C#N)CS(=O)(=O)c1ccccc1 1852503949 CFBKKHFCCCZQRA-QUCCMNQESA-N 428.510 2.417 30 10 IEEE COc1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 1853360296 DPHNVBHOUSYXQJ-IAGOWNOFSA-N 428.489 2.221 30 10 IEEE Cc1c(CN(C(=O)c2ccc(C#N)cc2)[C@H]2CCCN(c3nccn(C)c3=O)C2)cnn1C 1853485634 PBVKFLJZRZSTJX-NRFANRHFSA-N 445.527 2.005 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)CC2=O)c1 1853924041 GYTNRLCLBKFDSF-UHFFFAOYSA-N 449.891 2.360 30 10 IEEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856418814 KJCKSLNHPZQRMD-YJBOKZPZSA-N 437.949 2.045 30 10 IEEE C=C1CCCN([C@H]2CCCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1856544057 DDMFIEGOXTVIIJ-FQEVSTJZSA-N 437.606 2.140 30 10 IEEE C=CCNC(=O)Nc1ncccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1858789863 XARLPXQLJPBBJT-UHFFFAOYSA-N 436.472 2.204 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(F)cc2)cc1 1858974437 LDCQMCFCACVELL-KPKJPENVSA-N 431.489 2.372 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCc2ccccn2)c(C(=O)OCC)c1C 1860760901 HOVOXVBIPVOBIR-UHFFFAOYSA-N 431.470 2.226 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)cc1 1862747101 MZXXMNPQUZYFFT-GOSISDBHSA-N 425.397 2.015 30 10 IEEE COc1cccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3cccc(C#N)c3)c(C)o2)c1 1866673067 AMUDFLGEKMKQDR-FQEVSTJZSA-N 434.452 2.189 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc3c2cnn3C(C)=O)cc1OC 1870158187 PPDIQLFOBGPXJK-UHFFFAOYSA-N 431.412 2.418 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873644703 FBYOTAZHSHKQQV-UHFFFAOYSA-N 444.499 2.414 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccn1C 1874433706 TZIOFGBZWDTJAW-FOKLQQMPSA-N 439.545 2.483 30 10 IEEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCC#CCN(C)Cc1ccccc1 1890542184 YSIMZKSAKVFYCA-UHFFFAOYSA-N 434.471 2.245 30 10 IEEE CC(C)(C)OC(=O)N(CCNS(=O)(=O)N1CCC(C#N)CC1)OCc1ccccc1 1982316450 ZUTNJDRWZOHWPX-UHFFFAOYSA-N 438.550 2.425 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@]1(CO)CCCN1C(=O)OC(C)(C)C 1993239925 HOEXATYCCYVWNZ-NRFANRHFSA-N 427.542 2.336 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 2023958438 ORILZOWLSKKFOR-INIZCTEOSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)nn1 2060625229 IHJIVZCCHFHHMF-UHFFFAOYSA-N 435.334 2.044 30 10 IEEE CO[C@H]1C[C@@H](OC)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172779127 YHQISBWJTBLUOZ-OKILXGFUSA-N 427.148 2.383 30 10 IEEE C[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C(=O)OC(C)(C)C 2243679079 SFFMWEVZFFJNEZ-LBPRGKRZSA-N 425.360 2.314 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247919372 QOZMASWFGNKZPM-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CC(C)[C@H](CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255598003 UQQXYLHXIFVOGE-HNNXBMFYSA-N 436.362 2.378 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255629936 CONZLFXMSBBKHZ-GOSISDBHSA-N 425.338 2.459 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2255874254 SJJRQAKLMZASHM-NWDGAFQWSA-N 444.284 2.343 30 10 IEEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256638572 BPVAJXOOGOAGRC-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256921725 ABZODYBWFVIPTP-UHFFFAOYSA-N 444.362 2.364 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267197402 YFORCNKGUIEQEC-HIFRSBDPSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267269355 DYEWWKVTCHKJFG-UHFFFAOYSA-N 443.353 2.464 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267273101 HWWCJCXZVQFLEU-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267491465 DNICTIJPHTZOLI-HUUCEWRRSA-N 448.373 2.187 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267504224 PHWBTTKLSFPPQX-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2267513383 OBLLXZBJEZXBOC-QZTJIDSGSA-N 438.381 2.454 30 10 IEEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516710 HVUNTENXIBLMDH-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268613580 WIEYJRPAXKXWIG-SFHVURJKSA-N 446.353 2.238 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)COCCNC(=O)OC(C)(C)C 2268723684 YFLUQDNKTWGZCG-UHFFFAOYSA-N 448.369 2.486 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CCN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2282518394 XGRMLVWIKFGRCN-WOJBJXKFSA-N 448.376 2.370 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCNCC3)[C@@H]2c2ccc(F)cc2)cc1 2295993301 GXAHLTACYSKRLY-OAQYLSRUSA-N 439.487 2.161 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1OC 2297062224 YLVGBXTXPQJODZ-IBGZPJMESA-N 425.485 2.472 30 10 IEEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2302960973 SLUGSOXTEPJRNQ-PMACEKPBSA-N 449.617 2.180 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2306363888 IJMBWGAZKCQRMO-HFJQGTKSSA-N 428.533 2.407 30 10 IEEE CC(C)(C)OC(=O)NCCCNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317257356 VODXJOWMIBNAMB-UHFFFAOYSA-N 438.305 2.475 30 10 IEEE COc1ccc(OC)c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c1 2330784304 LOSGAIMFOQKYDU-UHFFFAOYSA-N 449.533 2.105 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 20292997 UZMMSXBUULDYMY-KEBDBYFISA-N 442.461 2.086 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c1 20293158 KEEFDGMGZJDHHH-KEBDBYFISA-N 442.461 2.086 30 10 IEEE N#C/C(c1nnc2n1CCCCC2)=c1/s/c(=C/c2ccncc2)c(=O)n1-c1ccccc1 34737166 TZJCXOSINXWQAP-OKHRIHEDSA-N 440.532 2.163 30 10 IEEE COc1ccc(NC(=O)C[C@H]2S/C(=N/N=C3\C(=O)Nc4ccc(C)cc43)NC2=O)cc1 38306749 BUAJKQCJIULPQH-MRXNPFEDSA-N 437.481 2.276 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc21 38707299 CRZXYEYVMJGSQK-UHFFFAOYSA-N 435.546 2.234 30 10 IEEE CCOc1c(OC)cc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 64654055 ZCOLCXDPKAQBFV-UHFFFAOYSA-N 425.489 2.401 30 10 IEEE COCCN(CC/C(N)=N/O)C(=O)c1cc(Br)c(Br)s1 128575680 VSXXLPUHCHDKQC-UHFFFAOYSA-N 429.134 2.498 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 263631838 YZWCKPQXDRTWHX-YJBOKZPZSA-N 430.507 2.259 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 409503228 QOEXRYMRKQSQOF-OAQYLSRUSA-N 444.557 2.141 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461745985 NJIKQFCRSFVBHT-LBPRGKRZSA-N 430.877 2.098 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cn1 462091888 KBOLHGKHJSQUNA-UHFFFAOYSA-N 430.516 2.473 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OC)c3ccc(OC)cc3OC)cc2C1=O 471561741 CICDGFVYGJHCGI-LJQANCHMSA-N 438.436 2.130 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 477794979 VJHUVMDLYFNPQB-IBGZPJMESA-N 429.517 2.356 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 480099142 MDEWPSYAEPWHMU-SFHVURJKSA-N 430.512 2.184 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482554928 IFFNJLZCRYFCNH-UONOGXRCSA-N 427.551 2.140 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)c1 484802694 BXFUKQSOXVNIMV-RTWAWAEBSA-N 448.479 2.372 30 10 IEEE N#CCOc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(Cc6cccnc6)C(=O)[C@H]54)[C@H]23)cc1 504102508 QGIBDGKLFHSONI-LVCSPDSFSA-N 428.448 2.154 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 508793471 HYAZLKUINLYTFB-MRXNPFEDSA-N 427.534 2.250 30 10 IEEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508863014 ILEWXNHZLUDOMC-QGZVFWFLSA-N 437.566 2.218 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 508964291 UGYALUQHPAAXBA-KRWDZBQOSA-N 440.504 2.259 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 509238180 VWDJWTNPCJHTQP-UHFFFAOYSA-N 440.865 2.199 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCOC1 533085870 DMWPPBHGBFERRU-AWEZNQCLSA-N 430.476 2.097 30 10 IEEE CCn1c(CN(C[C@@H](C)C#N)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 533138416 FBBAILIBBXXQNY-INIZCTEOSA-N 431.562 2.201 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCSC)c2=O)c1 540695622 BTUWRJYJFKRIDL-UHFFFAOYSA-N 445.610 2.493 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 546062609 ZXCFGZFANNTMJI-UHFFFAOYSA-N 439.603 2.452 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 549652569 KBJGPUOVUVVHMB-WOJBJXKFSA-N 445.589 2.256 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 549668548 ZLZMLIZFIXNZHC-SFHVURJKSA-N 433.578 2.241 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cc(C#N)ccc4Cl)CC3)C2=O)n(C)n1 552418396 XQGPOKCDQFBREC-IBGZPJMESA-N 440.935 2.207 30 10 IEEE N#Cc1ncn(CCNC(=O)N2CCC[C@H]2c2ccccc2I)n1 553969741 MTOSPZGEZRJRCG-AWEZNQCLSA-N 436.257 2.301 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2C1=O 554831037 YSXFGXGUBHNAKH-IBGZPJMESA-N 431.492 2.432 30 10 IEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 578383249 IADNFFBCWUWARV-GOSISDBHSA-N 449.559 2.162 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 578455630 RJNVBFHRJDBTCA-WOJBJXKFSA-N 445.589 2.489 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C2=O 610926964 OVBGDUJXMQWKHV-VCDSYBKSSA-N 441.507 2.035 30 10 IEEE O=C1N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CC#Cc1ccc(Cl)cc1 674714950 LWEDTPUEJKLSFJ-FQEVSTJZSA-N 432.860 2.455 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccc(C)s2)cn1 730145295 YZLBIIUIHDAPDC-KRWDZBQOSA-N 448.618 2.473 30 10 IEEE COc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC1CCCC1 732461137 AGEBSVXFINTLCE-MRCUWXFGSA-N 428.489 2.342 30 10 IEEE COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)cc1 732649699 OKLJFCAVPQBNCW-QFIPXVFZSA-N 432.524 2.366 30 10 IEEE COc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c([N+](=O)[O-])cc1OCc1cscn1 732650381 PONNBDVXRDWSOB-OAHLLOKOSA-N 443.485 2.451 30 10 IEEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCO1 741251340 COHLLWMJSDJOCD-FQEVSTJZSA-N 442.491 2.366 30 10 IEEE COc1ccc(COC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1C#N 747011039 DBWABBNWLXPDGN-INIZCTEOSA-N 433.486 2.316 30 10 IEEE N#Cc1ccc(NC(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 750420752 DQAGBFUVKYGWFR-UHFFFAOYSA-N 427.218 2.092 30 10 IEEE C#CCN(CC#C)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 752148980 SCTWMOLFPQYOOU-IBGZPJMESA-N 436.537 2.208 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCS2)C1=O 757371320 NMANKGVLYZQQRV-SJLPKXTDSA-N 445.614 2.453 30 10 IEEE CO[C@H](CCNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757473312 DYBYQZSGZMRPMK-OAQYLSRUSA-N 436.464 2.134 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@H]1C(=O)O 757542702 LNOOFWZMBQXJNE-UXHICEINSA-N 449.463 2.187 30 10 IEEE COc1cc2c(cc1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)OCO2 760180033 WHGMFCAGEQGWJV-UHFFFAOYSA-N 428.344 2.433 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cnc1Cl 760376663 CWULQZBMHUPKTJ-INIZCTEOSA-N 443.956 2.318 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 766868452 RUYWPRSTXAIIAW-UHFFFAOYSA-N 428.466 2.496 30 10 IEEE COc1ccc(C(=O)CCC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)cc1OC 766979509 YHNAXHKPKAPVCW-UHFFFAOYSA-N 432.454 2.052 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C 772648965 STQABVXFAWUBQU-HNNXBMFYSA-N 439.559 2.414 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 774090999 AFQCLDVAJMFYDI-SFHVURJKSA-N 427.482 2.330 30 10 IEEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 775986279 AMHQWKNSQPIZJO-AHKFUKCMSA-N 449.577 2.397 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)C1 777303862 HOMABJUOBYIASX-INIZCTEOSA-N 445.472 2.131 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 783592721 MFLFTMGEIYEOEY-NXMSCROESA-N 447.576 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 790042979 MEYLOUUQHGJBMU-UHFFFAOYSA-N 436.534 2.182 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1 792161523 SXCMUVOTLCPMNH-IGGDJGDASA-N 446.479 2.077 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 800772337 AGUHAFVPQNIFPV-HUUCEWRRSA-N 427.509 2.461 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccs2)CCN1C1CC1 802701021 CPRHYQWKYUTKSB-INIZCTEOSA-N 434.529 2.212 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 806458423 YDTRSJLNXVSAIF-QGPMSJSTSA-N 433.486 2.322 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 815477313 FAYVSGWBGDVDRI-RYUDHWBXSA-N 427.379 2.319 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)ccc1F 914525385 SLFDBBZGTGNDTD-UHFFFAOYSA-N 425.526 2.011 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2N(C)C)cc1 916711278 KYLXBUPRZJOTBN-MOHJPFBDSA-N 430.534 2.282 30 10 IEEE CC[C@@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)n1nnc(-c2ccc(Cl)cc2)n1 916777783 UHYIOZXFOCPQMX-KRWDZBQOSA-N 444.904 2.462 30 10 IEEE C=C(C)[C@@H](CC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)OCC 1131433438 OMDTYHADNODKCB-GOSISDBHSA-N 438.569 2.175 30 10 IEEE CC(=O)N1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)CC1 1132833076 HYFUMZIQRQYCEI-IBGZPJMESA-N 431.496 2.218 30 10 IEEE CCn1c(CCC(=O)N[C@H](CC#N)C(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21 1134051255 XUIMAQILBQLGHW-OAHLLOKOSA-N 445.467 2.200 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1135609261 IAKFTGIKVPYMAD-UONOGXRCSA-N 427.461 2.368 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1160147784 XLQYBTCTFXHFQH-ZDUSSCGKSA-N 443.344 2.425 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 1166617075 HCFWCGHPTWLFHQ-UHFFFAOYSA-N 438.962 2.290 30 10 IEEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)cc1 1167391262 GASCMOQUZHXEEJ-DENIHFKCSA-N 437.540 2.472 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 1230384060 BJKCVCUOBDLOLW-LJQANCHMSA-N 443.548 2.315 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1286334966 PHEJGXJXAIOQEF-UHFFFAOYSA-N 429.496 2.095 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1286336767 XHIGQLDUQFUWQE-IBGZPJMESA-N 440.592 2.402 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnccn1 1286338485 BOBOYLJDYFAOBP-UHFFFAOYSA-N 439.545 2.035 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286385120 UHJFHJAYLLDUEJ-QUCCMNQESA-N 444.557 2.005 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1CCN(CCN(C)C)CC1 1286409088 NDBJZQPRASVEBE-UHFFFAOYSA-N 436.579 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C1OCCO1 1286414785 BUFDJADYQHWIBZ-UHFFFAOYSA-N 433.512 2.071 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1286683318 OGFHVQYYGQBTPS-CABCVRRESA-N 440.595 2.279 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286769877 YWGSALZVYIHOCK-IBGZPJMESA-N 449.577 2.017 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1287911079 FGYXMYJGLFTQCL-IBGZPJMESA-N 430.578 2.170 30 10 IEEE Cc1occc1CN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1289215906 SHHGEAXKRYORNA-QURGRASLSA-N 447.499 2.328 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1296123505 ABHNORDAHMMPIM-SLFFLAALSA-N 437.592 2.456 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1296306960 WIPAMSYJLCMWQZ-QGZVFWFLSA-N 445.474 2.092 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](COC)C1 1297759999 MREBCBYMHDDVCF-SFHVURJKSA-N 446.577 2.009 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 1299714749 GRUDTZZJOJFXJL-XLIONFOSSA-N 438.532 2.246 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H](O)C1 1300300399 ZFDNCIBBQSZDDQ-BBWFWOEESA-N 430.578 2.247 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)C(=O)NC)c1 1300331876 SODKHOMSVHLRCY-UHFFFAOYSA-N 445.527 2.169 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300504234 KTFPWKAXJZESDG-CEXWTWQISA-N 428.558 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1300513108 WCFXEQTVSRBPOL-XMMPIXPASA-N 441.576 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCn1cnnn1 1300559288 NOHDYHBUJZNOPX-UHFFFAOYSA-N 439.321 2.247 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1300695886 OFDHJAPXXUMGTD-HXUWFJFHSA-N 439.951 2.475 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1300696220 VQEMWLKIISZRFO-DEOSSOPVSA-N 434.519 2.451 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(CC)C(C)C)CC1 1300699349 BTAFXPCTDJGUSM-QFIPXVFZSA-N 438.576 2.276 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300891953 PEXLAXFEDYGKGI-DYXWJJEUSA-N 445.589 2.253 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1300983037 CLFJFZVHQFBRHK-LJQANCHMSA-N 437.552 2.453 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NC)c1 1301293398 CFVFKRGNGJNVFU-UHFFFAOYSA-N 446.559 2.482 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301515422 UXZOMEIVWMRAHM-IPMKNSEASA-N 429.496 2.017 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2C(C)C)nnc1[C@]1(OCC)CCOC1 1301596746 XNNZAGRKAMYYRW-PXNSSMCTSA-N 426.583 2.156 30 10 IEEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1301925640 SFAPBDIZUAZJLC-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1302438027 CDBDGRLJEDWDKM-UHFFFAOYSA-N 440.573 2.092 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)CC1 1303941583 DFTPUUXNAONZCQ-ROUUACIJSA-N 448.593 2.097 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1316262553 BTSQBQCIJSHPJL-IBGZPJMESA-N 435.532 2.282 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@@H]2CCCO2)C1 1344045906 XTLDEMGKDLWXBV-ROUUACIJSA-N 432.546 2.309 30 10 IEEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cnn1CCC#N 1350577388 IVXWMCFNRHMRKT-GJZGRUSLSA-N 431.518 2.155 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1-n1cccn1 1358970703 VOYWRVMNHILORX-DEOSSOPVSA-N 430.512 2.237 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1359001853 FYEDVLOMUFJZRT-PWHSHALESA-N 433.597 2.278 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)C(=O)NC 1359101284 MQYUIAGSYFXISR-QOKNQOGYSA-N 432.594 2.433 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1360478302 HWIKFYQYZSPGOM-HNNXBMFYSA-N 436.969 2.296 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1360770173 URWKZYZPKSAYDZ-LVXYXVKQSA-N 430.459 2.477 30 10 IEEE N#C[C@@]1(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCc2ccccc2C1 1447863884 GLFUGWKTWCSJGQ-HSZRJFAPSA-N 439.537 2.013 30 10 IEEE C[C@]1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCN(C(=O)OCc2ccccc2)C1 1454630391 BRNRDJDVNVXCTB-QFIPXVFZSA-N 438.488 2.105 30 10 IEEE CCOC(=O)CC[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1469446228 OVURVAMSNWYZJM-CQSZACIVSA-N 430.484 2.429 30 10 IEEE CN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 1503612302 SMNPEKLGRGICTK-AZUAARDMSA-N 428.512 2.172 30 10 IEEE COC[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1504562213 DIAAETBRQPYTLE-MRXNPFEDSA-N 436.495 2.355 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1507594484 PVNCCDBGRCPELM-QGZVFWFLSA-N 427.553 2.447 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507629860 XDYXMKXRHRHWOF-IBGZPJMESA-N 441.557 2.259 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(C)c1 1507642034 NZFWHSFKNHZBKQ-RUZDIDTESA-N 449.555 2.130 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnccc1OC 1507671524 KJAZYVIKWRZBRS-UHFFFAOYSA-N 425.496 2.431 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)SC)CC1 1507718156 LZVMXKWLSYJBQO-INIZCTEOSA-N 445.589 2.478 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(CC)C1 1508079838 DTGUPBLGUMNYNU-HSZRJFAPSA-N 435.532 2.438 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(C)ccc2F)nnc1[C@]1(OCC)CCOC1 1508093241 HNNHOSXONLMKRT-QFIPXVFZSA-N 431.512 2.316 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1508160044 CSWXPJNNHSYZNE-MRXNPFEDSA-N 426.608 2.249 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCn1cncn1 1509663946 ZKYJCELCWDIYBM-HXUWFJFHSA-N 447.547 2.039 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1511543244 ITOQIRKFOWDQHR-UNQMGURYSA-N 427.534 2.149 30 10 IEEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1513756408 KYMSWIDMHDBBQZ-KUHUBIRLSA-N 434.591 2.377 30 10 IEEE CN1C(=O)CO[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1cccnc1 1520487038 SGTWGGYDEMMHKA-UXHICEINSA-N 436.859 2.329 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1521075330 MJGHXXCVWCUAPX-ZPHPHTNESA-N 439.426 2.189 30 10 IEEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539053678 XPBAXPOOUITYGK-SFHVURJKSA-N 434.585 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CC1)N(C)C 1539305242 USSHVEKPEJXWOI-NRFANRHFSA-N 439.585 2.152 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1539477784 YNNZPBLSQGMMEQ-UHFFFAOYSA-N 444.580 2.425 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539490851 ISEGKMOEYPFHNC-MOPGFXCFSA-N 432.638 2.291 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1539729709 RKOCDUCLDZJOAH-MRXNPFEDSA-N 429.521 2.257 30 10 IEEE C=CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1540109430 XSURCUJOIKWSPQ-QGZVFWFLSA-N 431.562 2.235 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN(CC(F)F)C2)c1 1541081160 VADGMLHMGWRLGR-CGUCZKFASA-N 428.505 2.415 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1541641798 KAWGCEGOQCCMDL-KRWDZBQOSA-N 436.472 2.205 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2c(C)nc3c(c(O)nn3C)c2C)c1 1543863390 COFZIRWRWGSIGZ-UHFFFAOYSA-N 426.498 2.018 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)C(C)C 1545461635 YQNDFGWLFHOISA-HNNXBMFYSA-N 425.537 2.489 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1547420788 OQKGTSKLZZQGFM-QGZVFWFLSA-N 441.536 2.269 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1547801463 FZYPSLSYBONGJQ-DLBZAZTESA-N 433.557 2.413 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1554128199 WCNWUSAJRUNSGK-NRFANRHFSA-N 428.562 2.036 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCSC1 1555100924 BDEXDYNOZNCKGX-PMACEKPBSA-N 433.509 2.176 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1555629227 OZJMCMOKXHEZPJ-MJGOQNOKSA-N 432.569 2.391 30 10 IEEE COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556581783 XWJGKVDSPSGMBS-PBHICJAKSA-N 432.473 2.273 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CS1(=O)=O 1557386672 BXKJCOGLYQLALT-UKRRQHHQSA-N 432.502 2.105 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCOC[C@H]3Nc3ccnc(C)n3)n[nH]2)c1C 1558769898 LNTLCKZRPBTHEJ-QFBILLFUSA-N 436.520 2.174 30 10 IEEE N#CCC(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 1559847066 NVOGQGKXVNYHKG-UHFFFAOYSA-N 430.512 2.224 30 10 IEEE CN(C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 1560194343 VBDUCXKPGIOJPL-AJSBUHFISA-N 441.528 2.244 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)CC3(C#N)CCOCC3)cn2)CC1 1585169008 RAPPSNGQDKGEHY-UHFFFAOYSA-N 430.509 2.183 30 10 IEEE C=C[C@H](CO)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1585421935 QEOLBRYNZJXIGB-GKWYLQRDSA-N 427.345 2.313 30 10 IEEE CN1C[C@@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)N(C(=O)OC(C)(C)C)CC1=O 1587758143 WDLFIJUMKZDRRG-INIZCTEOSA-N 439.434 2.251 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1587808517 SVSFGXJHBCWXCJ-AZUAARDMSA-N 444.605 2.012 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1589096431 CTPWDGURZJDBDC-FQEVSTJZSA-N 438.601 2.470 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1589528874 JBWAIDFEOGXAMY-VQIMIIECSA-N 446.577 2.120 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1595261981 YABPMQARKQTUIF-GOSISDBHSA-N 434.562 2.435 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@H]2OC)C1 1595737968 JTPRCICWJNHYKD-BHIYHBOVSA-N 433.578 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)CC(F)(F)F 1595811801 BIXMXQXQMKUWRL-UHFFFAOYSA-N 432.468 2.477 30 10 IEEE Cn1cc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c2cccnc21 1597278551 LRDONZOINNBIFN-IBGZPJMESA-N 430.468 2.009 30 10 IEEE Cc1ccc(N(C)c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1612095988 WFJIQVZELDALDH-QURGRASLSA-N 449.515 2.003 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)nn(C)c2C)cc1OC 1619210345 BVJFFWSSYJUXEE-QGZVFWFLSA-N 437.504 2.090 30 10 IEEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1619563422 FVLAZMHLTNGISL-UHFFFAOYSA-N 437.548 2.483 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)[C@@H]1CCC[C@H]1C#N 1620488321 VUVDTPIETBAVCS-QFBILLFUSA-N 434.562 2.432 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 1625788971 SEAWTYUXINNYFA-AEFFLSMTSA-N 437.504 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1626841364 SVGAPVVZLNOYOT-QHCPKHFHSA-N 428.533 2.359 30 10 IEEE C#C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CCOCC1 1633417403 FIRGKHMKRSEBCG-QGZVFWFLSA-N 439.553 2.293 30 10 IEEE COc1ccc(-c2cc(CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)on2)cc1 1636804279 HSJYCRYWYDFLFF-HNNXBMFYSA-N 433.472 2.432 30 10 IEEE COC(=O)[C@H](Cc1ccncc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1637552734 LKPDALFHPPNDEB-VQFNIZELSA-N 442.516 2.069 30 10 IEEE CC(C)NC1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1641110746 GNGMFXKCRNNQBQ-WUZYXKQASA-N 434.581 2.125 30 10 IEEE CC(C)(C)n1ncc(C(=O)NC[C@H]2CCCN(CC#N)C2)c1I 1641320594 CILYTOACXGOWNN-GFCCVEGCSA-N 429.306 2.208 30 10 IEEE N#Cc1cncc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 1645990038 PAVBHFBAHHJTJC-HSZRJFAPSA-N 439.475 2.083 30 10 IEEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1646221752 IYINVCIDABUNFC-WCCYLALTSA-N 437.521 2.166 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1650810666 NBMRAUJHOBDMHV-QFIPXVFZSA-N 447.536 2.000 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)C1=O 1665389036 OWVHISBMQHRZNT-NVXWUHKLSA-N 444.536 2.452 30 10 IEEE C#C[C@@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(Br)cc1 1667483000 ULALNLQKBRDYIO-QGZVFWFLSA-N 446.305 2.000 30 10 IEEE CC(=O)Nc1cccc2c1CN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1672352204 DZFUERUCLVULML-QFIPXVFZSA-N 431.496 2.385 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](Cc1ccccc1)c1nccn1C 1674097613 IATPIYQEURBKBM-IEBWSBKVSA-N 430.516 2.286 30 10 IEEE C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(C)(=O)=O)cc1 1684673705 HHGLDNUHPIKLCF-YJBOKZPZSA-N 428.514 2.323 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(S(=O)(=O)NC)c1 1689839368 GGKGWDRUTTZVEK-CQSZACIVSA-N 444.948 2.408 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1689851655 UDMGDDYMRKXELF-AEFFLSMTSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689991804 CQDFKOMBRYKUOV-GOSISDBHSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1690052121 BBEWHQWNBYAMKR-UHFFFAOYSA-N 447.461 2.213 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2ccccc2)CC1 1690150714 RJMXHYXBNAXQTA-LJQANCHMSA-N 448.571 2.170 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1690206769 ZGRBBQISLDBZAK-FXAWDEMLSA-N 435.594 2.183 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1690321959 PSZGUHNIIBWOEI-IEBWSBKVSA-N 434.562 2.339 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690358612 FWPHKMDCPWMRKF-OAQYLSRUSA-N 447.971 2.496 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)C1 1690706537 JGUKINQQMWUWGY-HNNXBMFYSA-N 430.463 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690715830 VWRBKTRQEOHHJQ-UZLBHIALSA-N 426.583 2.167 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1695064927 IDTQXACOHXNZRE-QUCCMNQESA-N 440.548 2.447 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1696892316 AOHAVDZIWXXYCG-UHFFFAOYSA-N 444.543 2.311 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCOc2ccccc21 1698169452 HHFKKEAVDBCQGM-KURKYZTESA-N 427.505 2.297 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)CCO1 1698490706 GDKVYLHUDFBJME-IRXDYDNUSA-N 446.964 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1705495583 RRIKJJNBRAUXRV-VQIMIIECSA-N 428.558 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1CCC(O)CC1 1705501639 LMSRWLRDJQZPGL-SFHVURJKSA-N 427.549 2.170 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705530993 UXVUXSZHOBKKQW-UHFFFAOYSA-N 447.547 2.218 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)no1 1705620494 VRXHYQLRUVQMQO-QGZVFWFLSA-N 443.504 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccco2)N(C)C)CC1 1705647932 MDJSGXIOOLSBSM-IBGZPJMESA-N 426.565 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCNC(=O)OC(C)(C)C)CC1 1705648212 SADHGXRWPCCGCK-UHFFFAOYSA-N 430.553 2.036 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1705717607 NOWKQHCUJOBZFE-MRXNPFEDSA-N 441.598 2.497 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705735723 WIPWZPDMXNEIQG-YADHBBJMSA-N 446.640 2.370 30 10 IEEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705815323 RXAHQEQMUXKZHJ-UHFFFAOYSA-N 435.532 2.357 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CC[C@H](C(F)F)N1CCOCC1 1706076272 ADNYHCWHOUNQMB-FUHWJXTLSA-N 433.507 2.216 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CCC1 1706750914 BQDDJKIXDFWZNU-ONSXPEOJSA-N 434.591 2.309 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1710611539 GTDVQBXVPDTATQ-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1711371737 TVDNBFKEBKZLIM-UHFFFAOYSA-N 442.589 2.285 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1712058584 GPAFFGLNCBORKT-RTBURBONSA-N 438.532 2.259 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1722367484 LWLGTYGMVLOXKS-QZTJIDSGSA-N 445.614 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)CCC 1722394290 REGSLCBIPYBEGP-UHFFFAOYSA-N 445.571 2.387 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1CC1 1722421133 KHEZBBWVJTWBPL-UHFFFAOYSA-N 430.578 2.433 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)O)CC1 1722434501 QAURVPKBKPNSOS-UHFFFAOYSA-N 436.329 2.373 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C 1722680976 FBGZJFMSRGHFMD-HOTGVXAUSA-N 428.624 2.351 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)F)CC2)cc1 1722702265 HARJOCHQYZVLRH-UHFFFAOYSA-N 448.518 2.417 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1722714679 JRTZLFWUNDQANJ-SJORKVTESA-N 449.552 2.290 30 10 IEEE CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1727159852 DGYWAWWKJOMNEB-YLJYHZDGSA-N 426.569 2.468 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1729309176 ZORWRAPBZXFRTA-QUCCMNQESA-N 438.532 2.212 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1729409766 UZJXOSGDLVPKNC-APWZRJJASA-N 429.546 2.115 30 10 IEEE CN(CC1CCOCC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1729486834 DNBURPBBRUPFKU-XDOYNYLZSA-N 436.516 2.334 30 10 IEEE N#Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)o1 1731184114 AQWQRUHQJCJSQC-AWEZNQCLSA-N 445.405 2.358 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1(CN2CCOCC2)CCCCC1 1740637362 ZOUYEKURACSBFC-UHFFFAOYSA-N 435.576 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740651382 BXYQMNMODSJQHT-QGZVFWFLSA-N 425.537 2.397 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCCN1CCOCC1 1740722852 GPKAVJRZHDCUTP-HSZRJFAPSA-N 430.597 2.301 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740862032 IEXOFKIVMCNRKF-SJORKVTESA-N 448.568 2.315 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(C)=O)CC1 1740871853 QISOECGCQBDMAS-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)C)CC1 1740884347 XYODIMYOALGKGF-UHFFFAOYSA-N 447.605 2.472 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1740885040 VJIMZCHQWJFTLM-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1740925037 ISORYHRJLJPAGL-ZDUSSCGKSA-N 448.325 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740953582 LECSNEYCSPQWBL-KGLIPLIRSA-N 449.353 2.201 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1 1741056354 IDYXITZPNGVWGO-UHFFFAOYSA-N 439.539 2.165 30 10 IEEE CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1741169097 FIGPUTXWJYUUHQ-UHFFFAOYSA-N 448.579 2.236 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1741993088 FTBNUNSVBNYHKT-HOTGVXAUSA-N 448.449 2.499 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nnn(C)n2)c1 1742155109 GVHASCWUSKDWRX-NRFANRHFSA-N 439.499 2.303 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)[C@H](C)CC 1748776310 DSAUHIVEKAEIAX-APWZRJJASA-N 433.578 2.326 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1748785144 ZVZPKMFUSNWYIP-KRWDZBQOSA-N 436.516 2.111 30 10 IEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749210145 CSPOPQINRGUTNO-ZWKOTPCHSA-N 425.599 2.389 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749429205 IZPKVBKTEWCSAU-HXUWFJFHSA-N 429.613 2.190 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1CCCO 1760101785 BFLFVFNPPHYGSO-MJGOQNOKSA-N 427.549 2.267 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CCC1 1760200322 CSAGQXJBOCLSRZ-UHFFFAOYSA-N 448.552 2.171 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ncn(-c2ccccc2)n1 1760223576 HIMDPBKDCGTTBE-UHFFFAOYSA-N 439.527 2.232 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1csc(C(C)(C)C)n1 1760250017 AIOPBKTZFZHTBU-UHFFFAOYSA-N 444.605 2.483 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@](C)(O)c2ccccc2)CC1 1760261753 WICQGHCGUKOSAJ-VWLOTQADSA-N 447.587 2.193 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CC)CC2)CC1 1760265712 HTTOZNMWYCGTCG-QHCPKHFHSA-N 429.565 2.086 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1760294770 GFVPPBCVGHFKTC-HRAATJIYSA-N 431.443 2.164 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760321234 CZEQNZAMIORVQQ-NNWRFLSQSA-N 438.576 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760321592 IIWWMSISEROTKM-GIWBLDEGSA-N 446.640 2.053 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1760359263 LEQQKPIOTTZELA-UHFFFAOYSA-N 439.564 2.241 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1760516927 YGGCZFUCCVRKMT-QRVBRYPASA-N 432.613 2.419 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1760568762 RUVMKYWBHASCED-PGRDOPGGSA-N 449.621 2.441 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)C1 1761542292 HSZHEXVFRGSYCQ-DEOSSOPVSA-N 449.559 2.351 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)cs1 1761687842 VOODZBLJLRKLTR-UHFFFAOYSA-N 449.584 2.445 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C)n(C)c1=O 1763657601 WNDVSHJTWXLKMZ-CQSZACIVSA-N 433.516 2.382 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1766540940 SYPWFELOKCLJDT-MSOLQXFVSA-N 427.461 2.269 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccnc2)nnc1N1CCC(C#N)CC1 1766848437 HNXZBZWJBFIVRI-FQEVSTJZSA-N 436.564 2.023 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2noc(CC)n2)CCOC1 1767448446 BLJZMNHQNWOCLS-SFTDATJTSA-N 429.525 2.248 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2OC(F)F)CCOC1 1767481322 BNZBEQFQRZEVAM-IERDGZPVSA-N 449.458 2.309 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1769601007 VAJMABABUXBKJQ-CJNGLKHVSA-N 449.441 2.484 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1770089218 WCRVGGZWWFQGPE-IBGZPJMESA-N 436.520 2.118 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CC(=O)NCC(F)(F)F)cc1 1770738251 HLYOEYWZTQKCFN-UHFFFAOYSA-N 444.364 2.253 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc(-c4cnccn4)n3CCCCCCO)CC2)cc1 1770739968 DRYZCQPMEGJSHY-UHFFFAOYSA-N 446.559 2.482 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1770756463 FJLHODYKKRDEIO-CQSZACIVSA-N 448.453 2.411 30 10 IEEE CCn1cccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1772880588 BOTCKDXALMREIJ-HTAPYJJXSA-N 428.537 2.287 30 10 IEEE N#Cc1ccccc1N1CCN(CC(=O)Nc2ccc(I)cn2)CC1 1851416155 WYHNUTFCGSGOJM-UHFFFAOYSA-N 447.280 2.319 30 10 IEEE Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC(=O)N2C)cc1 1851835611 UIDFPNLZDHFGJT-XJKSGUPXSA-N 431.436 2.385 30 10 IEEE Cc1cc(F)ccc1N1C[C@H](C(=O)N(C)c2snc(N3CCOCC3)c2C#N)CC1=O 1852372993 KXMXWACYPTURKK-CQSZACIVSA-N 443.504 2.315 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852534939 KDCDAMSRFSIZEL-IBGZPJMESA-N 443.548 2.408 30 10 IEEE CC(=O)N1[C@H](C(=O)Nc2c(C#N)cnn2C)CSC12CCN(Cc1ccccc1)CC2 1853036168 GNQNNAGJIJVOMT-IBGZPJMESA-N 438.557 2.186 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(F)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854519932 JGXGHRGKJZECAO-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1=O 1854525513 NLZYTSPPEYAZNN-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C(=O)C1 1854621699 FPLUZQFPJCWJDU-QZTJIDSGSA-N 433.574 2.214 30 10 IEEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855019701 VEJSYXWPKCGCFA-ZBFHGGJFSA-N 439.343 2.419 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCN1Cc1ccc(C#N)cc1 1855635870 IAFUZKFNVLHFIT-OAHLLOKOSA-N 445.928 2.245 30 10 IEEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2cccn(Cc3ccccc3Cl)c2=O)C1 1855726523 GLOCFGQHEYEBRN-INIZCTEOSA-N 426.904 2.384 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccccc2Cl)C1 1858325558 KMYRLDSIJQZGPJ-MRXNPFEDSA-N 439.946 2.094 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C#N)CC2)cc1 1860590494 FBLBDTKKTHFEGO-UHFFFAOYSA-N 440.525 2.299 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2F)c1 1862561038 PBMLXGDEWGRPFA-FQEVSTJZSA-N 443.450 2.458 30 10 IEEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc1 1862740212 PWULCONSRBPKIT-KRWDZBQOSA-N 426.381 2.254 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874344453 NNIYHNCLQVBFBX-CIAFOILYSA-N 426.458 2.267 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(n3ccnn3)CC2)[C@@H]1c1ccc(C#N)cc1 1892110874 FCYFHCMDBZSUDV-LEWJYISDSA-N 438.557 2.407 30 10 IEEE C#CCN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[C@H]1CCOC1 2009820118 OULGVVRMLZYHKY-GBXCKJPGSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC(CB4OC(C)(C)C(C)(C)O4)C3)[C@@H]2C1 2060625498 KXYDSQDBZUYVKZ-ULQDDVLXSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2067793568 WZTITFIQXRANSD-ZDUSSCGKSA-N 438.305 2.197 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2124540247 FLXFHKPBXDHTHS-HNNXBMFYSA-N 444.341 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2224099372 GDBGCQUDEJBIQJ-PQEBFOHHSA-N 431.342 2.473 30 10 IEEE CCOC[C@](O)(CNC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccccc1Br 2227477179 PZZLIZAGZLPPKA-VQIMIIECSA-N 427.339 2.420 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243417959 UMGDXPAFQLSLDC-HIFRSBDPSA-N 430.376 2.349 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2247816894 HFOCHOKBSNMILF-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2255627874 ZNKBWIDECMUEPQ-SFHVURJKSA-N 427.354 2.441 30 10 IEEE C[C@@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255653242 GINRVMOTGPYVDS-KRWDZBQOSA-N 426.370 2.360 30 10 IEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2255752659 LAOHMOKOKCNYCF-UHFFFAOYSA-N 442.390 2.492 30 10 IEEE CCc1nn(C)c(C(=O)N2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255823587 WWCRWWVTOLBJAE-UHFFFAOYSA-N 434.346 2.280 30 10 IEEE C=C(CN(C)C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256612413 DEOZENOZTVMSEQ-MRXNPFEDSA-N 434.346 2.492 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2264257087 UWKGZMDMQNLIRJ-MZLICYQSSA-N 440.544 2.249 30 10 IEEE CN1CCC(N(Cc2ccccc2)C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1 2267006268 MEAWWMOOQXGXMS-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccnc(NC(=O)OC(C)(C)C)c2)n1 2267107767 BTGPYQVIENYXEZ-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE CC(C)CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2267146167 LQMBULOIABAEBG-UHFFFAOYSA-N 448.373 2.426 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 2267151223 IAVWGYXFQYDUAI-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267497020 IBRLVYISZLMFPX-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550281 XHOIDTRHYILBCD-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267800054 LQKWJCSEEXTMBU-LJQANCHMSA-N 441.333 2.341 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881114 XOHSBTGTQVJXHV-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CN(Cc1csnn1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282313818 QIEVZFMPHHLGQY-UHFFFAOYSA-N 435.789 2.373 30 10 IEEE C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)C=CC(=O)O)ccc23)CC1 2296634663 XPOFJEIXRRHOAE-OAQYLSRUSA-N 426.473 2.067 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)C1 2300194002 ZVTSGTSSDVFYRA-UHFFFAOYSA-N 437.537 2.045 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339580 FYYNRCQQHOMAFH-TZMCWYRMSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303598825 JXOLXEOPDBOZMX-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE CCOc1c(OC)cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)cc1[N+](=O)[O-] 2323437095 FVMIIJHTZVIIEA-UHFFFAOYSA-N 436.402 2.161 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccncc1 2330733837 OLJJQPGSFWFENZ-UHFFFAOYSA-N 427.465 2.061 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335442674 INGJXRINVDARAF-JKSUJKDBSA-N 445.379 2.327 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)[nH]1 2337026361 PTTIYEZZTRCNPI-GOSISDBHSA-N 446.401 2.074 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337196774 OWTOPLYFUTXEQB-MJGOQNOKSA-N 438.381 2.217 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccn3)n[nH]2)cc(OC)c1OC 20909253 HXVHXFFCLFPPOJ-UFFVCSGVSA-N 443.489 2.402 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nnc(COC)s3)C2=O)cc1 96546706 YYQVMDAMAMTKHM-HXUWFJFHSA-N 445.501 2.045 30 10 IEEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1OC 169905964 KMGPIKNPVBDUOK-YBFXNURJSA-N 439.446 2.332 30 10 IEEE COc1ccc(NC(=S)NN=C2C(=O)N(CN3CCOCC3)c3ccccc32)cc1 254644306 IPEALRQWVZVBPO-UHFFFAOYSA-N 425.514 2.022 30 10 IEEE CSc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2=O)cc1 465184107 JJIJAJOLYURYFT-JKSUJKDBSA-N 436.541 2.160 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)CC1 471366707 PCSHJKCOINOIAQ-UHFFFAOYSA-N 430.549 2.413 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 473879284 VMAQISQYUJQDJG-INIZCTEOSA-N 440.375 2.202 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 502338637 DLYRZVVJWZKBMO-IBGZPJMESA-N 433.516 2.497 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1nnc(C)n1C1CC1 506863496 WYDQHYOYNIJLMV-QGZVFWFLSA-N 442.501 2.185 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508738245 FHAWNGLKDXXQNB-UHFFFAOYSA-N 445.321 2.414 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508800057 DGYZMLPGQDGILE-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE CCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516372902 ZCGMVILJVKJLQC-UHFFFAOYSA-N 439.581 2.461 30 10 IEEE C[C@@H](Cn1cc(Br)ccc1=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 556243957 SEBYMXURDLFAQO-KSSFIOAISA-N 429.318 2.262 30 10 IEEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(C)c1 581043282 SGUWISLVHGTXFI-OAQYLSRUSA-N 437.525 2.208 30 10 IEEE Cc1nsc(N2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)c1C#N 583725528 RYTDFMWLQMIISD-UHFFFAOYSA-N 432.937 2.171 30 10 IEEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 609985247 QKTMTXNVXJODIX-JTQLQIEISA-N 445.444 2.364 30 10 IEEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC(NC(=O)C3CCCCC3)CC2)C1=O 726588370 PCVFHUOOTRIIHI-UHFFFAOYSA-N 437.544 2.441 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)cc1 733075781 XRGIFTGRXLLMFM-AVRDEDQJSA-N 432.590 2.421 30 10 IEEE C[C@@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)N(C)CC(=O)NC1CC1 734585016 MODBYXCLKARZJR-MRXNPFEDSA-N 435.480 2.420 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 734923772 UDBAGPUYGMQZLB-RZUBCFFCSA-N 433.464 2.435 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1)c1ccc(C#N)cc1 740213225 DNJCMENHGLTJQL-SFHVURJKSA-N 434.445 2.455 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@@H](O)C2CCOCC2)cc1 740974710 XONMJUUZXBLFBF-NRFANRHFSA-N 441.484 2.244 30 10 IEEE COc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C#N 747446861 KIPHXHQLMXAISU-UHFFFAOYSA-N 427.404 2.180 30 10 IEEE Cc1ccc([C@H](Cn2ccnc2)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 749890935 YKBDQBRAIWXNHX-IBGZPJMESA-N 437.525 2.096 30 10 IEEE C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(S(C)(=O)=O)cc1 758317458 ICIVKOJYEISZDQ-QRTARXTBSA-N 436.534 2.209 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(c2nc3ccccc3s2)C1 763505521 RFXULODBYVEXBS-UHFFFAOYSA-N 426.523 2.351 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC[C@H]2COc3ccccc3O2)cn1 764877956 HQEWDGVYRICKJW-YJBOKZPZSA-N 443.529 2.201 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@H]2CCCO2)cc1 764977177 MHVNQHPCDYAASI-LJQANCHMSA-N 433.533 2.122 30 10 IEEE C[C@]1(CCc2ccccc2)NC(=O)N(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O 767537471 XHLJOBJAECHAOJ-LJQANCHMSA-N 432.889 2.348 30 10 IEEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)C1CCC(=O)CC1 773979321 ZRYRGIPGLLEHHD-LJQANCHMSA-N 431.514 2.268 30 10 IEEE C#CCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774193032 PHBAJZADBFNYMB-QGZVFWFLSA-N 441.500 2.089 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 777760373 OCAOCFKMHDFQSP-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)c1 781400829 JCSDNCSPBCDTSQ-UHFFFAOYSA-N 427.482 2.022 30 10 IEEE C=CCOCCCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 795354519 UNYVTQIVZHSARV-UHFFFAOYSA-N 448.335 2.220 30 10 IEEE C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 795967409 WBSAXLYTHUFNFR-OAHLLOKOSA-N 442.497 2.312 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 809926707 PZGTYLYYIMKENN-SJLPKXTDSA-N 443.552 2.500 30 10 IEEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 918719490 OMSZQUXZQAAOEY-UHFFFAOYSA-N 426.527 2.138 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)cc1OC 1084061333 ILZQCNDADCUULH-UHFFFAOYSA-N 427.490 2.071 30 10 IEEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)Cc1ccc(Br)cc1C#N)C2 1128736062 XBRULODRJVKYHH-ROUUACIJSA-N 433.350 2.063 30 10 IEEE Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc(Br)c1C#N 1129955271 ZRNZJWVKWXPZGJ-UHFFFAOYSA-N 433.287 2.306 30 10 IEEE Cc1cc2nc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc(Cl)n2n1 1131222700 HQCDEVYTAYWGEA-AWEZNQCLSA-N 437.847 2.407 30 10 IEEE C#CCN1CCCN(C(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)CC1 1136861879 PEDUUIZACDLBNG-UHFFFAOYSA-N 433.512 2.278 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(NC(=O)C3CC3)CC2)C1 1154887004 WXWNIJQCBGQDGM-UHFFFAOYSA-N 431.334 2.274 30 10 IEEE Cc1csc(CC2(O)CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 1166298768 FOMXACWWOQEFCM-UHFFFAOYSA-N 429.546 2.432 30 10 IEEE CC(C)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(Cl)cc1 1168080938 USKHONTZEKEGHD-RBUKOAKNSA-N 435.933 2.253 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)n1 1255286127 OYIUGMBJAKFRDH-UHFFFAOYSA-N 432.569 2.037 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1286505419 ZIDNABXZKHREFB-MRXNPFEDSA-N 428.518 2.183 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286674885 JODRHNPOSHMWEQ-SFHVURJKSA-N 427.553 2.314 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1288247676 FJONHXSBXNUMOI-RBUKOAKNSA-N 438.532 2.116 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1291971401 TXCTZSLGAUEGRE-VGSWGCGISA-N 429.521 2.064 30 10 IEEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)OC 1293962906 ICDBCFDQIXAAHR-OALUTQOASA-N 446.577 2.150 30 10 IEEE CCC[C@H]1CN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CCN1Cc1ccccc1 1295601472 UEEMBYODOLOKMS-IBGZPJMESA-N 441.532 2.207 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H](C)CC#N)c1 1299060482 NKAKQOLLFXVVSX-MNEFBYGVSA-N 426.521 2.148 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)c1 1299930179 KBDZLPOJFIJOGE-KSSFIOAISA-N 426.521 2.473 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccccc2C)C1 1300509303 JCYIEKSYNZIKIC-FHWLQOOXSA-N 425.558 2.388 30 10 IEEE C#CCN1CCN(c2nnc(C3CC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1300697825 KJEBCWDHMNRQJK-UHFFFAOYSA-N 425.533 2.179 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1300806633 ZVQOEQQQVAPGDX-OXQOHEQNSA-N 431.587 2.338 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC)C1 1300872502 FVVYQHRSDGASRV-TVFCKZIOSA-N 425.599 2.496 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1300965384 NCDDYMZPYHHILP-NZQKXSOJSA-N 432.613 2.111 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301223404 UQCDSIJZLMHZLF-GOSISDBHSA-N 443.573 2.308 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1301459199 VVSZDHZLINFNBC-ZCNNSNEGSA-N 430.597 2.175 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](CCOC)C1 1301497198 RMRXDGWDCPTAGA-GOSISDBHSA-N 435.532 2.296 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)OC(C)(C)C 1302031078 UZESDJHCHXBWFH-MGPUTAFESA-N 440.520 2.359 30 10 IEEE Cc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)no1 1304227083 CJBHZWMKWYPJCF-UXLLHSPISA-N 443.508 2.122 30 10 IEEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC2CC(C#N)(c4ccccc4)C2)CC3)CC1 1321811903 YANJOTXCZNPKKZ-LGQZFRORSA-N 432.572 2.047 30 10 IEEE C=CCO[C@H]1CCN(Cn2nc3n(CCCOC)c(=O)c4ccccc4n3c2=S)C1 1323714891 GKYQUWZMRUFJAK-INIZCTEOSA-N 429.546 2.451 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 1350333191 CMHRCSPFHSDSIE-SFHVURJKSA-N 431.518 2.304 30 10 IEEE Cc1cc(C2(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)CCOCC2)on1 1350773680 GPNLTPRPSCXGSZ-CLCOLTQESA-N 446.529 2.483 30 10 IEEE N#C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1355286944 CSXSIFIWRWFBHC-ZYHUDNBSSA-N 432.727 2.095 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C2CC2)CC1 1358903790 JWZSXFZZILRFGS-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358961941 HLBORWUSWBANDG-LJQANCHMSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CC)OC 1358986861 JMVAHYJMOHUHLJ-SFHVURJKSA-N 442.589 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(OCC(N)=O)c1 1358995792 FYYDMZWZCIAMRM-UHFFFAOYSA-N 448.552 2.009 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC(F)(F)CO2)n1 1359027894 ZNTKDWZDIOCION-KRWDZBQOSA-N 445.474 2.180 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359048568 VOSYBWZRUSXIIQ-UHFFFAOYSA-N 443.577 2.130 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359051417 VYTLDHIELMGUFL-QZTJIDSGSA-N 440.529 2.467 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359062551 LGDSXTUNULNHSH-GOSISDBHSA-N 430.578 2.423 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)Br)CC1 1359174082 WECONHXICWQDSV-JTQLQIEISA-N 442.330 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359296182 ZMXWZXCKGNTMKT-UHFFFAOYSA-N 445.955 2.179 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCCO3)C1 1359312668 ZDJOQJOXVLFRBK-KRWDZBQOSA-N 427.505 2.017 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1nc2ccccc2[nH]1)[C@H](C)CC)c1cc[nH]n1 1441696634 SFULLOUEWWGIEW-ACJLOTCBSA-N 426.477 2.473 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccccc2F)C3)c1C 1450521278 BFKZDKAQVBAKAQ-FQEVSTJZSA-N 447.514 2.387 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(C)C 1464867132 ACZLTUBZMCVSAW-RTBURBONSA-N 436.597 2.269 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1469544060 FEWJJSQCRJJVKL-LJQANCHMSA-N 432.528 2.420 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)c1 1471146098 YXGNCVDTJMJKEM-NRFANRHFSA-N 438.553 2.358 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)C1CCOCC1 1479008648 WBAPESHSUBCMAF-KDOFPFPSSA-N 427.314 2.467 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 1492467567 HFRJRWSIURCVHE-LZJOCLMNSA-N 429.546 2.148 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2COCCO2)c1 1507553164 YKJSWHLLZFPCOB-NRFANRHFSA-N 437.544 2.482 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1507613246 ZJTDIBIBDCXYRV-RTBURBONSA-N 446.596 2.183 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1507633347 CVAFHAJCMFXLLA-SFHVURJKSA-N 445.614 2.176 30 10 IEEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1507695479 YPNMAWUDKWCRCB-IBGZPJMESA-N 430.574 2.356 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507755643 BSAIPPGOSHMKSP-JOCHJYFZSA-N 443.573 2.195 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1507772188 IKBNMKWDOJCJFN-JBYIUTFZSA-N 449.621 2.429 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1507945279 FPAFGSDRCGWHHJ-UHFFFAOYSA-N 435.532 2.263 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508076844 IACUCEBCFPQMNU-CQSZACIVSA-N 426.443 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1508133940 PWISDMWPXMNKKD-HNNXBMFYSA-N 438.937 2.199 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCCCC1 1510192208 PFXHAABHQYZPAA-KXBFYZLASA-N 442.561 2.070 30 10 IEEE CCn1cccc(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1=O 1515787824 IEKWUDGPEIHJSX-UHFFFAOYSA-N 433.516 2.241 30 10 IEEE CN(C)C(=O)COc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1516980185 AXMBMZJRXKOYKL-QHCPKHFHSA-N 449.490 2.297 30 10 IEEE C=CCCn1cc(C(=O)NCCCNC(=O)c2cc(OC)ccc2Br)nn1 1528832078 JYYFEUYETZNLEX-UHFFFAOYSA-N 436.310 2.175 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)OCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1Cl 1529748740 GKDOXWNGMOESPA-CQSZACIVSA-N 437.839 2.404 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCCC1 1538983966 ZNRPFVYDLTVGAF-HNNXBMFYSA-N 441.532 2.475 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1539067900 MBEYLGWAENIXLM-OAHLLOKOSA-N 435.550 2.069 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1539216231 PNUNGGKUTFGJJX-QGZVFWFLSA-N 433.603 2.418 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1539371738 YEOMUAOFNXQLBC-VQIMIIECSA-N 430.530 2.075 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1539577111 HAZIJPQEGNBGDP-AWEZNQCLSA-N 436.358 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](SC)C1 1540869680 UMLYMXFQQSILDX-AWEZNQCLSA-N 432.550 2.030 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1541984920 FZCBZLVQWRHOJD-GVDBMIGSSA-N 431.468 2.091 30 10 IEEE CC1=C(C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1542045052 YITJBGDJPXTRIS-DQRAZIAOSA-N 433.516 2.337 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)COC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375367 JLCMNLRYZLLMNK-QGZVFWFLSA-N 438.450 2.014 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)c(OC)c1 1554873559 VQUIJZJMKPSQNY-HNNXBMFYSA-N 437.447 2.363 30 10 IEEE COCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1555525913 BSJMFLPKJBSAMJ-UHFFFAOYSA-N 448.575 2.440 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(C(=O)NO)cc3)C2)C1 1556382202 YPYMJHDBBXQTQH-PSCUFVCCSA-N 428.489 2.209 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1557978379 USSAWKQVHCHGBL-BEFAXECRSA-N 434.512 2.210 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)CC2=O)cc1 1567193922 FWFLAZNYUDWYCB-SIKLNZKXSA-N 432.480 2.470 30 10 IEEE N#Cc1c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)ncc2c1COCC2 1584219996 CULYSFOMXVDVCH-UHFFFAOYSA-N 432.889 2.472 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1587783831 YXEDDAPWFTZPFX-WIYYLYMNSA-N 425.581 2.100 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589036363 DPQRVLPQULIVJA-KDURUIRLSA-N 432.546 2.179 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589484928 WENXFLQTFXNONA-WMZOPIPTSA-N 425.599 2.243 30 10 IEEE C=CCNC(=O)Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595595507 WVZFFAVNLOHQNC-LJQANCHMSA-N 443.470 2.320 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCOCC2)c(F)c1 1596782795 LHBIDXRPDPRSFH-MRXNPFEDSA-N 443.527 2.036 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)cc2C1=O 1607743190 ROSPYAVGZHPJGN-PIIMJCKOSA-N 425.485 2.406 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1611462078 GFGKEWNWUJGHPT-LJQANCHMSA-N 440.548 2.420 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1611766927 DTJBVYPTECJAAK-HBGVWJBISA-N 435.594 2.251 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1 1617376359 MUBYJNXUAUGLPJ-UHFFFAOYSA-N 436.607 2.390 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1618737222 CRMRMIOFVWMURN-UHFFFAOYSA-N 428.447 2.419 30 10 IEEE C=CCC1(NC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CCOCC1 1623039636 PDCIEZZQBMOPBW-UHFFFAOYSA-N 429.565 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)CC1 1628288183 PZVVTFTVTHHLPY-QGZVFWFLSA-N 432.542 2.324 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 1631110172 OPMWZSKCDZCBHL-INIZCTEOSA-N 446.326 2.402 30 10 IEEE C[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1nnc(O)n1C 1631466306 DNLKITBCPZUKBJ-MLGOLLRUSA-N 426.477 2.104 30 10 IEEE CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)CC2 1636585980 DZPDIOUOIRNXSE-FCHUYYIVSA-N 426.561 2.484 30 10 IEEE COc1ccc(N2CC[C@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 1638653169 LHDVEPIVHDAXIZ-LJQANCHMSA-N 427.526 2.124 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1CCNC2=O 1639115482 YUNSTWZOUCQELW-UHFFFAOYSA-N 440.525 2.210 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 1642623781 CYDUQXYKHMUQGG-FUHWJXTLSA-N 435.546 2.232 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 1643372211 BBWBKHVQCMUCRG-UHFFFAOYSA-N 447.944 2.144 30 10 IEEE COCCOCCN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1643651755 YJYNOVXTCWMDRQ-KRWDZBQOSA-N 434.606 2.496 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(=O)NC[C@@H]2c2ccccc2)C1 1646242804 GPSVEYWFBYFTJF-LJQANCHMSA-N 439.313 2.457 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)ccc1F 1652332448 XFUJYDGHKYPISL-MRXNPFEDSA-N 431.493 2.059 30 10 IEEE CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1655341682 URHKWCSJFZZCCC-DLBZAZTESA-N 439.516 2.383 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1679943986 FPPNSVDYEDWYBZ-XLIONFOSSA-N 443.548 2.206 30 10 IEEE C=C(C)COCCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1680167216 OFBWJDDNGMTGND-INIZCTEOSA-N 425.526 2.211 30 10 IEEE COC1([C@H](C)NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCOCC1 1683267005 MUXROKPWQWTWNN-INIZCTEOSA-N 426.521 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)c1 1689868870 SWEIBLJMINXUNF-VCOUNFBDSA-N 439.560 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)N(C)C)CC1 1690152748 WSDNLGBFHOLFJR-LJQANCHMSA-N 438.576 2.081 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1690166047 SHLLJYJRHAOXAP-HNNXBMFYSA-N 429.546 2.030 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCSCC2)CCOC1 1692588633 YHOYDAGKJWXTPE-VXKWHMMOSA-N 448.637 2.498 30 10 IEEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1=O 1695853658 JNWIQNIWOMQBMI-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@](C)(C#N)C1 1696501699 HIQMPDXPEBPGMH-SFHVURJKSA-N 437.957 2.063 30 10 IEEE COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1697447066 FJKZTKAHGFTNPV-KRWDZBQOSA-N 436.472 2.143 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1698491528 FGIBTKDJXOTZSF-GOSISDBHSA-N 443.577 2.207 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705491383 BYRAODVJNFTVCV-TZIWHRDSSA-N 437.592 2.215 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(Cl)cc2)CC1 1705638002 UHOVFXNCNHBPOB-UHFFFAOYSA-N 425.924 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nccs2)CC1 1705646612 JZEMKTCOUGKZBQ-UHFFFAOYSA-N 436.541 2.424 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)COC(=O)N2 1705738136 MOZNGURZWYHHHM-UHFFFAOYSA-N 432.550 2.305 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cncn2)CC1 1705778460 XMVIKTBQXFYYMK-UHFFFAOYSA-N 427.534 2.043 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705940273 ZTIQSYQDFCRYCQ-IRXDYDNUSA-N 444.561 2.229 30 10 IEEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)o1 1707489890 GYIKOCJFVRJLAV-QHCPKHFHSA-N 436.516 2.333 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1708741974 OAUGDGBQMGQGPO-MRXNPFEDSA-N 441.536 2.062 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1710002662 BIYIYECEFMVGIA-LJQANCHMSA-N 443.527 2.385 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](OC)C(C)C 1712536893 HRJLCRQYYBFZDQ-HNAYVOBHSA-N 444.536 2.208 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722365881 OCPYUDCNRZTZAM-FXAWDEMLSA-N 430.574 2.087 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722367598 WQVHAZXQVMSZTH-LJQANCHMSA-N 442.585 2.146 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722425901 PNNXZOLIJXQEAO-PMACEKPBSA-N 440.592 2.238 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(-n3cccn3)cc2)CC1 1722450417 IAJMIURKRNTWGA-UHFFFAOYSA-N 447.543 2.014 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722465395 LCLDJIRDPPADII-SFHVURJKSA-N 448.614 2.464 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722468089 ZMFYLANYDOZSSR-LAUBAEHRSA-N 431.562 2.268 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1722863449 KAUHMJXGVRXIEW-INIZCTEOSA-N 427.509 2.107 30 10 IEEE CC(C)(C)O[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1723005601 AFKBGNDVONRYIF-IGGDJGDASA-N 428.537 2.466 30 10 IEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)F)CC2)COCCO1 1724041040 SDKOLTQUFJBHGC-NRFANRHFSA-N 432.475 2.009 30 10 IEEE CCN1CCN(CCCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1728632744 XLFVPLKEGLXFFD-HXUWFJFHSA-N 443.621 2.077 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730442210 LXVDNUYJVZXOHJ-BEFAXECRSA-N 425.493 2.312 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1731155138 AIOZJOWUGLEVOS-LPHOPBHVSA-N 427.505 2.148 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1740534135 XFAONAUZBOSBAR-QWHCGFSZSA-N 429.468 2.413 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740571574 QDCULXPUQUZBCS-IBGZPJMESA-N 438.507 2.134 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccco1 1740648929 MDKMSHXFLHGSSS-PKTZIBPZSA-N 426.517 2.282 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1740660551 VPGNEOLHALVXDV-LJAQVGFWSA-N 433.965 2.232 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCc2nnc(C)s2)n1 1740688357 UPARYDSOEQKQBJ-UHFFFAOYSA-N 442.593 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC[C@@H]2CCCCO2)CC1 1740706305 VQRSZQKSSZVITH-PMACEKPBSA-N 429.565 2.097 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1740751043 XGMXRXQNUUQTFD-RTBURBONSA-N 446.596 2.140 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(N)=O)CC1 1740764335 DMHFKCRNUUXRBR-MMKMLUHNSA-N 447.580 2.075 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1740932342 LXXINUYDZIPIOP-QGZVFWFLSA-N 437.591 2.208 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)C1 1740985455 QGUHDOHKUIYBEV-PMAPCBKXSA-N 444.532 2.187 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](COC)C1 1740995370 JJYGWRXELNYVEB-RCCFBDPRSA-N 440.610 2.270 30 10 IEEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1741999160 LXGURGKPDOUQPG-UHFFFAOYSA-N 444.561 2.143 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)s1 1742212923 DMQXXAWOBSPDOL-ZDUSSCGKSA-N 434.547 2.408 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCS(=O)(=O)C(C)(C)C)c1 1748694836 QJEWPQZQUCMKNK-UHFFFAOYSA-N 431.562 2.110 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1748915365 UEICGHDQQLEZKR-QGZVFWFLSA-N 443.548 2.151 30 10 IEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC(C)C 1748935009 LMVDYWYVKIACCP-UHFFFAOYSA-N 428.562 2.068 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCOC[C@H]1C 1748945313 QIUKHLVHZYRMNY-QUCCMNQESA-N 427.524 2.282 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749037785 ITQGRQDINLSQEJ-ZWOKBUDYSA-N 444.557 2.397 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749044125 OIZKUTDENSNFEP-LJQANCHMSA-N 440.617 2.320 30 10 IEEE C=C(C)Cn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OCC)CCOC1 1749207953 WDOLXGIRDAKPTF-HRAATJIYSA-N 449.577 2.351 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749228889 FCJTXODXURZJOW-FQEVSTJZSA-N 446.596 2.493 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCOCC2)CC1 1749303359 IZSIBSPZRJLMNN-INIZCTEOSA-N 426.608 2.249 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1749547225 LNRPXNLJWMNYRD-MJGOQNOKSA-N 429.496 2.366 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1749772183 GLPINXTZHDEVEJ-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE CC(C)(C)c1nccc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)n1 1750132425 KXUIVDRTJXOQTF-ZHRRBRCNSA-N 440.527 2.391 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1750504666 HUQVDZGKNLYGNL-GOSISDBHSA-N 437.504 2.460 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1750943101 DBXACDOAYIALJD-OAHLLOKOSA-N 433.557 2.460 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760279212 VCYCXNMRTUPKQB-HSZRJFAPSA-N 449.584 2.460 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(C)cc2C1 1760281280 PTDRPTUXRCHVDZ-SFHVURJKSA-N 425.558 2.475 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cscn2)CC1 1760281346 MNIXWOWLVWAICI-QGZVFWFLSA-N 432.619 2.317 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C(N)=O)c2)CC1 1760381605 SGNQQPAMTHBEIJ-UHFFFAOYSA-N 431.500 2.423 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760406817 MPEPVFULDUGOQN-IAGOWNOFSA-N 449.625 2.293 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C)C1CC1 1760477369 YFNJKXZRGLSTHC-KRWDZBQOSA-N 448.568 2.266 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760560349 SONIUYXATXIMFZ-BEFAXECRSA-N 445.655 2.449 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1760695072 AIDAHZKANREICP-HLIPFELVSA-N 426.521 2.107 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1762975855 BMPTYLSVIYQSIR-ZJYNUGOYSA-N 436.520 2.134 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1767063695 LDWSUTWFTVWAMU-IBGZPJMESA-N 427.530 2.035 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)CC2)CC1 1849849154 YXYLVWSUZOYKSB-UHFFFAOYSA-N 425.411 2.032 30 10 IEEE COCc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1cc(C)ccc1F 1850576892 YMFOEAIPEVWPLE-UHFFFAOYSA-N 435.463 2.090 30 10 IEEE Cn1ccnc(N2CCC(NC(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)CC2)c1=O 1851419909 JKBBFJKJDPWTKU-IBGZPJMESA-N 428.496 2.230 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1853081092 QSFPLFYDJVEPEX-AWEZNQCLSA-N 445.398 2.248 30 10 IEEE Cc1cc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)ccc1C(C)C 1853231927 KCKAJCRABVBBKR-GOSISDBHSA-N 432.528 2.482 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1=O 1854219753 RBYJMWYAADMDSE-HZPDHXFCSA-N 440.327 2.218 30 10 IEEE N#CCC(=O)N1C[C@@H](CN2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)CCC1=O 1854357649 RZSJOPLTLHYANJ-QAPCUYQASA-N 437.949 2.180 30 10 IEEE C[C@H]1C(=O)N(C(=O)C[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854651217 SNMCEWWSLUJOBP-DZGCQCFKSA-N 425.457 2.132 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1Cl 1855265034 JMEXXXDAPOYJMA-AWEZNQCLSA-N 439.921 2.038 30 10 IEEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862183004 ZUZYZXJYWSJQMQ-MZNJEOGPSA-N 441.528 2.312 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc(Br)cc(OC)c1O 1864425899 WPUHUNLVHPLOOE-CQSZACIVSA-N 449.305 2.202 30 10 IEEE COCCN1C(=O)c2cccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2C1=O 1865808866 GCZWVVIFHLMGJU-UHFFFAOYSA-N 425.466 2.368 30 10 IEEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868783919 UNAQKMPJLAPDKG-LPHOPBHVSA-N 431.606 2.082 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CSc1nccn1C 1870304967 QJTBMIXEJFWUEZ-UHFFFAOYSA-N 432.531 2.238 30 10 IEEE Cc1nc([C@@H](C#N)C(=O)CN2CCN(c3ccc(F)cc3)CC2)sc1C(=O)N(C)C 1872797495 LYNXRYVFSRLGLG-KRWDZBQOSA-N 429.521 2.291 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)CC1 1891452209 SORFPFWQFKZSTM-UHFFFAOYSA-N 442.541 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)[C@H]1CCOC1 2060642573 YZNAAOULCHVBJP-HWMZRRJGSA-N 436.358 2.467 30 10 IEEE COC1(CCNS(=O)(=O)CC2(C#N)CCCC2)CN(C(=O)OCc2ccccc2)C1 2174779950 OPVMGIGIZXTZGW-UHFFFAOYSA-N 435.546 2.417 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ncc(Br)cc1C#N 2174811017 SRDLJIVAIUTQJL-UHFFFAOYSA-N 438.326 2.231 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]1CC(=NO)C2 2193816114 TTXLVVJYVMBNGJ-HOTGVXAUSA-N 433.530 2.486 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2224120753 MZTGMRQMPHGPNC-OIISXLGYSA-N 432.326 2.394 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247834572 YJHKAOHPCSCUNX-INIZCTEOSA-N 432.351 2.092 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2255641277 QLUHZPHMBBMMTN-STQMWFEESA-N 449.382 2.428 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255656355 ZOVSIMNVPKTLHK-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2CNC2)ccc1B1OC(C)(C)C(C)(C)O1 2255749002 MEPVNFWLAIYLLE-UHFFFAOYSA-N 442.390 2.457 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CC(Oc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)C1 2265852857 FIVABPZERPMQIY-QGZVFWFLSA-N 445.369 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267145915 JSKJSTCCFZAGCM-HZPDHXFCSA-N 446.357 2.323 30 10 IEEE Cc1ccc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267225196 FRQWTONJEVBEMF-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267292982 KTHUDPFOKPCCLW-JSGCOSHPSA-N 443.275 2.233 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267701160 WFUAPGYIECLYHX-FATZIPQQSA-N 444.337 2.431 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2271959645 LCZFUGZHTDINIY-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE C[S@@](=O)CCCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304219 HTCKQSUBNWQLQG-RUZDIDTESA-N 441.833 2.138 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2300342669 XGMHJANSMYBHTF-CHWSQXEVSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2312974137 DNVMUDCDBAVSFQ-XEZPLFJOSA-N 449.382 2.314 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2319669720 QCXHVVXILTVQCH-DZGCQCFKSA-N 435.334 2.076 30 10 IEEE NC(=O)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(O)cc1O 2327635682 VYSDZLCLHNNNCY-UHFFFAOYSA-N 433.877 2.381 30 10 IEEE COCc1nnc(SCC(N)=O)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331566230 ZFDRIKKUKSHJEP-UHFFFAOYSA-N 425.470 2.103 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NCc3ccccc3)cc2C1=O 16984465 GDBHDNWDROERRU-CQSZACIVSA-N 435.436 2.040 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccco3)n2)cc1OC 59006170 HEPLUOMULWHJQE-SRZZPIQSSA-N 430.490 2.312 30 10 IEEE C#CCn1/c(=N/C(=O)CCS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCO3 103353712 GLQMDDXXYSNXSC-DQRAZIAOSA-N 442.518 2.497 30 10 IEEE COc1ccc(Cl)cc1N1C(=NC(=O)[C@@H]2CCCO2)S[C@H]2CS(=O)(=O)C[C@@H]21 254626484 KTIFXPMXSGDWAX-QEJZJMRPSA-N 430.935 2.129 30 10 IEEE COc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2CCOc2ccccc2)cc1 254742016 JUHYQYURUVGCBN-UHFFFAOYSA-N 434.456 2.369 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@](O)(C(F)(F)F)C1)CCCC2 426425820 SOQSHUOCDXMKAE-JLTOFOAXSA-N 440.466 2.355 30 10 IEEE CCO[C@H]1C[C@@](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)(C(=O)OC)C1(C)C 444562363 MIOZUTJIIQJWJI-HTAPYJJXSA-N 427.505 2.013 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nc1C 465006351 GERWLNPDYIECGQ-GXTWGEPZSA-N 443.533 2.271 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CN1CCOCC1=O)c1ccc2c(c1)OCCO2 468345632 IILBATFWLNHRNG-UHFFFAOYSA-N 438.480 2.415 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 472289321 BBZWCYCKPDZXQS-UGKGYDQZSA-N 442.541 2.260 30 10 IEEE COCCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCS(=O)(=O)C1 481965316 GZAGXNQJJCFXER-GOSISDBHSA-N 429.498 2.411 30 10 IEEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488761685 PLUFNMWGMFMYEQ-UHFFFAOYSA-N 431.489 2.172 30 10 IEEE COc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc(OC)c1OCC(N)=O 499393923 SEXCOJUSCHPGTN-AWEZNQCLSA-N 448.273 2.325 30 10 IEEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 507480242 RHWJRELPBHTMIC-LSDHHAIUSA-N 436.559 2.136 30 10 IEEE C=CC[C@@H]1N(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CCCC1(C)C 519026069 BYYPTOZHUZOEGS-IBGZPJMESA-N 433.574 2.436 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@H]1CCCO1 532611642 LJMIJSHGNWVATA-CQSZACIVSA-N 448.466 2.378 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(CN3CCCC3)CC2)CC1 539365462 VYBYWBGSFNJSIJ-QHCPKHFHSA-N 427.568 2.342 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 540967214 STBSXIRRFUDEQJ-SJLPKXTDSA-N 447.902 2.202 30 10 IEEE COC1CCN(C2(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)CCCC2)CC1 544840813 DIBPUTLGWTYWTG-UHFFFAOYSA-N 426.565 2.208 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 551508942 MYHAPYUNNKDWOU-HNNXBMFYSA-N 448.495 2.242 30 10 IEEE C#CCn1nc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)[nH]n2)c2ccccc2c1=O 585171039 XQRZNPWEODCMGR-UHFFFAOYSA-N 443.463 2.367 30 10 IEEE CC(=O)N[C@H]1Cc2ccccc2N(CC#CCN2C[C@H](NC(C)=O)Cc3ccccc32)C1 671242318 BOVFJJGLBHKUNO-PSWAGMNNSA-N 430.552 2.125 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](CN2CCCCCC2)C1 728533357 IUVXTWLDPNHOKA-GOSISDBHSA-N 432.590 2.230 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cc1C 730138676 DOPYCMHNJNDGDD-OALUTQOASA-N 432.590 2.482 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1-c1ccc(OC(C)C)cc1 731410424 OEJRPDZRRHWSBZ-UHFFFAOYSA-N 439.497 2.494 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4nnc(S)n4CC)C3)cc2C1=O 732082722 UHPTWLNYYXDTQH-CQSZACIVSA-N 425.514 2.389 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1CCN(c2nc3ccccc3s2)CC1 732156475 OCYPDDUOBLYMGZ-CZIZESTLSA-N 425.514 2.155 30 10 IEEE Cn1cc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cnn(-c3ccccc3)n2)cn1 741158740 IKZGBHGPAHXKCJ-LJQANCHMSA-N 434.529 2.493 30 10 IEEE C#CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 744398713 OGJJCEXCEDOYQU-SFHVURJKSA-N 428.558 2.231 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1ccc(Br)c(F)c1 748869317 NHYWQWMJRJINPE-UHFFFAOYSA-N 427.251 2.370 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1OC 749095273 NNKBEJHTSPBQDY-HHXSOTLJSA-N 429.469 2.225 30 10 IEEE CCS(=O)(=O)NCc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 749530769 QJZQDQCIJVCGDO-UHFFFAOYSA-N 426.542 2.396 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cnc(C2CC2)nc1 756084037 FTLOYYRYWZWLTA-SFHVURJKSA-N 441.557 2.310 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(S(C)(=O)=O)cc1 758317442 ICIVKOJYEISZDQ-JLJPHGGASA-N 436.534 2.209 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)CCCCC1 760409799 QKKCYCQSYVAYIC-UHFFFAOYSA-N 431.539 2.436 30 10 IEEE Cc1cccn2c(=O)c(C(=O)NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cnc12 773765391 XRQUOEMJBQQAOV-UHFFFAOYSA-N 436.371 2.012 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)/C=C/c1ccc(Br)cc1 780751694 PUAPEYOBPGIPKK-BJMVGYQFSA-N 438.307 2.293 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O)NCC(F)(F)F 782885488 UKUFTOUBIYQECQ-CYBMUJFWSA-N 446.426 2.104 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)ccc2C)n1 788695570 VCVPYOHINKMAJI-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790764599 ABABBAQCCWHEEB-CYFREDJKSA-N 448.608 2.487 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 794647495 QSBMXEASODBBPX-UHFFFAOYSA-N 436.562 2.299 30 10 IEEE COc1ccc(-c2cnc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)o2)cc1 795324589 RCYJKGPBQYFSAR-UHFFFAOYSA-N 427.438 2.244 30 10 IEEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(CNS(C)(=O)=O)CC2)c1=S 795677759 AVNXFCDVSPDUIR-UHFFFAOYSA-N 436.607 2.271 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)cc2C1=O 796492981 WKVXEWGBGNKGSX-IYBDPMFKSA-N 425.485 2.408 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3cc(Cl)ccc3F)CC2)o1 802847685 JLXKKFWIEZADQZ-UHFFFAOYSA-N 426.857 2.369 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 803196873 YTRUDINAYRPZQT-YLJYHZDGSA-N 436.541 2.195 30 10 IEEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 804372946 OLWXNAUNVTVGOB-CZUORRHYSA-N 447.479 2.464 30 10 IEEE C#C[C@H](N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1)C(C)(C)C 807941171 MGLPFBWZKWFGFG-SJORKVTESA-N 445.589 2.138 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)C1 808758704 FHHDSLBWGJMAGQ-OAQYLSRUSA-N 434.562 2.450 30 10 IEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC)[C@H]1CCS(=O)(=O)C1 812025477 ADQLQMQTPHHTBR-ZDUSSCGKSA-N 441.326 2.493 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 812751864 MGUHHPZBAWDKCG-INIZCTEOSA-N 430.379 2.493 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(C(C)(C)C)n[nH]1 814355499 YXTPPJIEOFYOJE-CQSZACIVSA-N 433.534 2.299 30 10 IEEE COCCOc1cc2c(cc1C=NN1C(=O)N[C@@](C)(c3cccc(OC)c3)C1=O)OCO2 920751766 PGXZZVKRVZZUMX-QFIPXVFZSA-N 441.440 2.250 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1)NCCc1ccc(F)cc1 1084335134 HMPVRXIEXURDFG-UHFFFAOYSA-N 430.465 2.252 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)cc(OC)c1 1084404417 LTEZYJBRKFGAEP-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCCSCc2ccccc2C#N)nn1 1124587694 JYDAOPXJCZRQGF-UHFFFAOYSA-N 430.534 2.338 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCCS2(=O)=O)cc1 1125307744 RAMKIVOXFPQSOU-MXTRNAPSSA-N 441.575 2.185 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1c(I)n[nH]c1C 1138072782 NSNGLKBGAAAJMN-UHFFFAOYSA-N 433.213 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)c3sccc3CC#N)C2)C(=O)C1 1138383019 IFEOEXMTHDBMFA-INIZCTEOSA-N 432.546 2.498 30 10 IEEE C#CCN(CC#N)C(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1138768796 FBBDWUHVZBWTOW-UHFFFAOYSA-N 425.920 2.026 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1139658651 SQSIEASXGIIUEA-GJZGRUSLSA-N 435.974 2.049 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)c2ccccc2Br)CC1 1171178856 HJRRTGGUIHNCFD-RBUKOAKNSA-N 437.382 2.107 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)NC(=O)C2 1177426325 ZCALBUJLRSNZLE-UHFFFAOYSA-N 426.498 2.419 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4snc(C)c4C#N)CC3)C2)cc1 1230857985 GUPIPZKNHIHFKG-INIZCTEOSA-N 426.546 2.442 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1)C1CCOCC1 1253348734 TUVRCYLGJPLQFQ-AVRDEDQJSA-N 427.545 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCSC1 1286279052 JNGLYXDZLPAHCV-HOTGVXAUSA-N 433.603 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1286290042 OPWRPBXRUOHXIX-OAHLLOKOSA-N 446.515 2.321 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286357430 JWFBLSYZPLSQCF-FQEVSTJZSA-N 439.560 2.438 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1286518582 HFLLESZTCSVOJD-MGPUTAFESA-N 435.525 2.099 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286714145 LSGYXLPZOBMPGB-UYAOXDASSA-N 436.516 2.036 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286798344 GYSXIIDHTBVKQM-FDDCHVKYSA-N 425.533 2.358 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286830738 PSZKQZGHCUGYEO-OAHLLOKOSA-N 431.566 2.398 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1291540400 QPNFIGCCQVJJGU-HOTGVXAUSA-N 432.550 2.309 30 10 IEEE CCOc1c(OC)cc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1296702542 YWIADJXLWYFROX-DLBZAZTESA-N 443.504 2.323 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1297206337 AWFGFAMSQRRZNN-YJBOKZPZSA-N 430.475 2.208 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CCN(O)C1=O)Cc1cc(F)c(F)cc1F 1298425942 LOYLGPJTFVMATP-IAQYHMDHSA-N 431.411 2.036 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300372455 IDRUIZUXALDUSE-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300484850 SFLKNDRLLYFGJU-KRWDZBQOSA-N 432.546 2.094 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(C)cc1 1300538827 VNKCHLUHKTYQML-IBGZPJMESA-N 426.542 2.031 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CC)CC2)CC1 1300711643 FYFAXMOXHNHBJJ-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)CC1 1300718616 BPBRAYCCYIOYAA-SFHVURJKSA-N 445.571 2.265 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1301222737 DWRYUAQXCRLOIL-LJQANCHMSA-N 431.562 2.140 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301228909 ACAANPUPUGGZLI-HXUWFJFHSA-N 430.534 2.267 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301237262 OHAWREIDGCUDGA-GOSISDBHSA-N 426.521 2.160 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCSc2nccs2)cc1 1302989316 KICBRNJXDSDICH-UHFFFAOYSA-N 425.543 2.392 30 10 IEEE Cn1nc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c(Br)c1C(F)(F)F 1303030663 WFSMIDLVJQIWCI-GSVOUGTGSA-N 434.081 2.490 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1304002453 RUSVRBZRDLBGEG-VVBPWWLESA-N 445.541 2.312 30 10 IEEE C=C(C)c1cccc(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 1304717673 CYNSHDXNDBOXIX-LJQANCHMSA-N 436.555 2.440 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312612698 PWEBZSYULQLKGL-ULQDDVLXSA-N 437.537 2.019 30 10 IEEE CCN(CC)CCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1313717275 YUNRDJUWIBKLCS-UHFFFAOYSA-N 446.563 2.060 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1358889985 JSFOZMJELGMAGX-HIFRSBDPSA-N 447.565 2.253 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cc(C)cn1 1358971898 MNXCMNSKJPCDQL-UHFFFAOYSA-N 434.500 2.249 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCSC2)CC1 1359032883 HNBVPHNQLQAJDS-KRWDZBQOSA-N 427.574 2.471 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)C1 1454654059 VWYIYFYMRQLGAP-WOJBJXKFSA-N 442.313 2.408 30 10 IEEE C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1460291684 YVXOXJZRLVKJHP-RTBURBONSA-N 433.574 2.078 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)C1=O 1461493263 DDPYVWKEJXTPFK-UHFFFAOYSA-N 440.268 2.427 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1461526130 XIOYSZQQSKLRHP-SFHVURJKSA-N 442.317 2.231 30 10 IEEE N#C[C@@]12CN(C(=O)COc3ccc(C4SCCCS4)cc3)C[C@H]1CS(=O)(=O)C2 1462987279 DUIMKBPRFZFYFE-KXBFYZLASA-N 438.596 2.331 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1466064990 UMUADAIOPHOYLB-HZPDHXFCSA-N 428.537 2.278 30 10 IEEE Cc1cc(CN(CC(=O)NCc2ccc(C#N)cc2)C2CC2)cc(S(N)(=O)=O)c1C 1473608223 NZXDXSZZGYOLGR-UHFFFAOYSA-N 426.542 2.103 30 10 IEEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1475135694 GKVVQQMCNOFJEW-UHFFFAOYSA-N 440.481 2.151 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1500927764 DHAHPHSISYRTAX-UYAOXDASSA-N 442.589 2.172 30 10 IEEE CCOCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503173755 NOLZAJPXMOSILJ-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1505017582 OGCRVVXUPXXQID-HXUWFJFHSA-N 445.483 2.014 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1505272366 YORZTPXEPBGLID-AYOQOUSVSA-N 429.546 2.255 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1507541277 IKPMCEPZRZZUSA-QGZVFWFLSA-N 437.548 2.437 30 10 IEEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1507558089 BMFOCUXLLUPMEG-UHFFFAOYSA-N 440.573 2.322 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCc2nnc(C)s2)CC1 1507728312 XOCCUNCUUFUWPT-UHFFFAOYSA-N 437.573 2.323 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)[C@H](C)CC)CC1 1507729897 KRYUYJPDJLJPMT-KNQAVFIVSA-N 438.576 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](OC)c2ccccc2)CC1 1507741076 KOFGYBLHSVKZAR-FQEVSTJZSA-N 425.533 2.168 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC)c1ccccc1 1507924946 VWTYWAKOIGNNIF-RTBURBONSA-N 445.589 2.112 30 10 IEEE C[C@@H]1CCCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512150894 VOVDGNYLYZAIAM-GFGLJSBJSA-N 428.537 2.325 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@@H]2CCOC2)C1 1515455978 VNBUPGAQAZABDK-FUHWJXTLSA-N 432.546 2.166 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCOc3ccc4c(c3)OCO4)CC2=O)cc1Cl 1525410438 CDPMEDIOLKBHRV-AWEZNQCLSA-N 427.844 2.488 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1539005096 PHGHTYBLIYIQDI-GDBMZVCRSA-N 427.505 2.151 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539097562 RKYBQBBWTBPGQD-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539220250 QWYGDRRPLHZEIU-UXHICEINSA-N 435.638 2.368 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2(C)CCC2)n1 1539422698 HYMDYSKSQQRHFW-UHFFFAOYSA-N 439.564 2.187 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)N(C)C)CC1 1539435773 ADPUDCFBLMLMCE-IBGZPJMESA-N 440.592 2.446 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C)C1 1539517641 QJNBSBHAGJREEP-KRWDZBQOSA-N 427.578 2.044 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539526610 NKTZJOMZXAUZOY-JOCHJYFZSA-N 427.574 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1540872047 APEFEPGMOQWFKP-GOSISDBHSA-N 442.539 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540899432 OJVSPXFUZBKLRI-UHFFFAOYSA-N 449.577 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1C(C)(C)C 1540908109 CBWPEOIHVZRGHD-KRWDZBQOSA-N 435.598 2.226 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1540913837 VBTBJAZWAIKZOW-GJZGRUSLSA-N 435.550 2.165 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1541470905 FSZKLDDHCMQBKA-UHFFFAOYSA-N 444.543 2.217 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1541696526 AAFMJMQUTAJWMJ-UHFFFAOYSA-N 426.452 2.470 30 10 IEEE COC[C@]1(C(=O)OC)CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543078368 WZKFSKKIUJSTMI-BTYIYWSLSA-N 433.892 2.135 30 10 IEEE COCCOCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1555717110 BHZIODBBPRWEAH-GOSISDBHSA-N 438.488 2.382 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1568995590 WSMQXECIAZKPOX-UHFFFAOYSA-N 431.290 2.062 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCc1ccc(C#N)c(F)c1 1570338472 DGRULUHQFITDCB-UHFFFAOYSA-N 432.521 2.166 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1583224929 KFVJPQPWXDZOBC-UHFFFAOYSA-N 438.553 2.417 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C 1584893043 AYWPZZXYBIVHLB-ZWKOTPCHSA-N 435.546 2.377 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 1585925739 ZEEHLCXGIUKJTH-LJQANCHMSA-N 429.517 2.249 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H](C)N2CCN(CC)CC2)c1 1587690015 WUGNDHMRXWCBJO-IBGZPJMESA-N 449.603 2.238 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1587841772 GNOGAMLIGOPZED-GHTZIAJQSA-N 433.564 2.401 30 10 IEEE CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 1594671039 OUJPBVLTUXBPBJ-NVXWUHKLSA-N 429.546 2.478 30 10 IEEE CC1(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1594875245 WZUGTIANGMDKSH-HNNXBMFYSA-N 438.981 2.216 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1595303299 PXRYFVHHOKAYLA-QZTJIDSGSA-N 446.573 2.385 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2OC)C1 1595745526 SFVAUSIFDMHXIU-GOSISDBHSA-N 429.496 2.378 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1606809918 TXIYIDVKALNGBU-PKOBYXMFSA-N 442.516 2.005 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1608104783 UYXMMFQGHKMYQD-CYBMUJFWSA-N 449.392 2.020 30 10 IEEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 1613739020 YMLQLMDWPFGORW-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1614224939 UZYHZFHPOMMPKX-ZRFXMRQPSA-N 436.516 2.475 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1617915410 AMYXWTFGBWTBCM-RTBURBONSA-N 427.501 2.038 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1618043206 MIMQZPMFWTXEDS-DFQSSKMNSA-N 434.500 2.024 30 10 IEEE CSCCCN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1620284519 FDYMWXAOLJYEKI-ZPHPHTNESA-N 427.534 2.056 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)OCC 1622450214 MBHBKQBZRQGDBN-GFCCVEGCSA-N 430.331 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCC1CCC(C#N)CC1 1626056407 BJBZOHOFGZNPGF-YXYCDRMUSA-N 439.578 2.103 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(OCC2CC2)c1 1627077530 PFEPBLBGYQFMFL-UHFFFAOYSA-N 428.514 2.006 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 1629964105 VMZBJTVWMXEFMP-UHFFFAOYSA-N 449.479 2.153 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1630405834 UJFAVXKXGURHEO-UHFFFAOYSA-N 428.533 2.253 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc1 1631415812 WPSFGKCQJVQFGJ-UHFFFAOYSA-N 435.546 2.375 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CO1 1633661984 BTMDFGHYAPWTPG-NXOAAHMSSA-N 437.537 2.389 30 10 IEEE CN(C(=O)c1cccs1)c1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635692717 MJMHDRJXYCWHME-XOBRGWDASA-N 429.523 2.035 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1640917562 HALPWSFVFFQAHI-GOSISDBHSA-N 449.573 2.460 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc(F)cc(Br)c2)c1=O 1641325803 PUNVAYASLJYODY-UHFFFAOYSA-N 438.253 2.173 30 10 IEEE CCN(C)C(=O)[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)C 1653665461 AZLCUHXFJLANOJ-JTSKRJEESA-N 443.592 2.449 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)CC1 1660598771 QMBLJAORQIDGDW-NRFANRHFSA-N 432.609 2.121 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CC1(C(=O)OC)CC1 1667305259 PMUYMIIDKYWKOY-HNNXBMFYSA-N 442.331 2.491 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1684226317 MEARFRSXABZJNZ-DQEYMECFSA-N 446.599 2.222 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCn4nc(C(F)(F)F)cc4C3)C2=O)cc1 1686084791 SWHBSZWUQDHCIG-INIZCTEOSA-N 432.406 2.494 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)cc1 1686890009 STDSYIHXGRBONI-UHFFFAOYSA-N 440.525 2.171 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689926058 HJQGTOKCXZNIMO-XXBNENTESA-N 449.603 2.441 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689994113 RGLZQIQAIJKBHS-AZUAARDMSA-N 435.638 2.368 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCSC1 1690086911 CTBQSEZVWADXNX-NRFANRHFSA-N 431.537 2.063 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCN(C)CCCOC 1690209271 QMPOIOYOFVEPIM-XMMPIXPASA-N 435.576 2.477 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690348794 BCSMWWNNVUQRBG-OXQOHEQNSA-N 443.983 2.005 30 10 IEEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)CC1 1690410376 JHVCQZDMDFMDEL-UHFFFAOYSA-N 440.426 2.087 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(C)(OC)C1 1690500040 JTUSQOSXBSRQIH-UHFFFAOYSA-N 448.593 2.364 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C1 1690795747 DIBQCITXQJYGEW-IBGZPJMESA-N 440.548 2.194 30 10 IEEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1694180325 DBBAMYMCWMQLFM-IERDGZPVSA-N 431.562 2.239 30 10 IEEE CN(Cc1cscn1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1696721778 OPIFKHPOVBDBTO-ZCXUNETKSA-N 429.550 2.486 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1696772661 CZBVMBGIFBVBKQ-UHFFFAOYSA-N 442.467 2.241 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1ccco1 1698248404 WAJAXEAFGXJATR-ZJBJCVSYSA-N 442.520 2.155 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCc2ccccc2C1 1705571721 GQPXYGRINGPGHU-UHFFFAOYSA-N 430.556 2.035 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)C1CC1 1705628489 IKARLVKNABFCOE-NHCUHLMSSA-N 442.585 2.460 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCN2CC=CCC2)n1 1705630616 AHZXEGAJJDCOSN-UHFFFAOYSA-N 425.581 2.320 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2ccc(F)cn2)n1 1705632078 VILLSAFNKZMRIG-UHFFFAOYSA-N 448.506 2.349 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](OC)C(C)C)CC1 1705634381 TWHIHLBCSHFMQO-QGZVFWFLSA-N 435.370 2.462 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1705674565 MCVVQBJLJNAZMW-NNMXDRDESA-N 433.622 2.437 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705692504 LDFPDHPKSGAROT-JKSUJKDBSA-N 426.359 2.197 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705802581 PCQLJJHTXXQESM-JOCHJYFZSA-N 434.585 2.382 30 10 IEEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705807007 QXTRFVZUMFGRHS-IRXDYDNUSA-N 428.541 2.408 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705830142 KCYPULOQABMMGH-PMACEKPBSA-N 429.569 2.500 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705891225 KKDYKKQPTUGBFF-INIZCTEOSA-N 432.519 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(F)(F)C1 1705895958 YAMMOAFZXFDKQD-UHFFFAOYSA-N 437.447 2.119 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC[C@H]2C)C1 1705928256 CFLUIUKBMZANRL-WOJBJXKFSA-N 430.597 2.446 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(C)C)C2)C1 1705929578 SZJRZCUAMOQXPH-UXHICEINSA-N 430.597 2.302 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CC[C@@H](C(F)F)N1CCOCC1 1706076274 ADNYHCWHOUNQMB-WMZOPIPTSA-N 433.507 2.216 30 10 IEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1ccnn1 1706116515 HLSKLVYZAXADQD-UHFFFAOYSA-N 433.564 2.451 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C(=O)OC(C)(C)C)cs1 1707761193 JOTGHBQLJAQQNS-INIZCTEOSA-N 447.565 2.230 30 10 IEEE Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)CCO2)o1 1707843299 BPTRQJKCMKBGAK-PGRDOPGGSA-N 437.504 2.493 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCSC1 1711045610 HTFXSPPHGYOYMJ-IAGOWNOFSA-N 447.586 2.105 30 10 IEEE Cn1nccc1CN(c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O)C1CC1 1711284121 WLUUNURBSBYGTJ-UHFFFAOYSA-N 439.545 2.154 30 10 IEEE COCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1712413756 YOYNRIKSTHAHAP-XUTLUUPISA-N 435.488 2.035 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1722290767 BEQRKHBJERZMSO-INIZCTEOSA-N 435.532 2.049 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)O)CC1 1722447186 IVWYBIOHDRZQLZ-UHFFFAOYSA-N 429.952 2.259 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1722511486 ZTBLCXKBBBCJAO-YLJYHZDGSA-N 433.578 2.116 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722558214 HPRWEQLGJMYNMW-MHORFTMASA-N 427.977 2.300 30 10 IEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1722604480 BIKKUWOSNNYKNL-FQEVSTJZSA-N 441.532 2.442 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C 1722661309 ZXKOEOAMIWYQQB-UHFFFAOYSA-N 425.518 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722693624 VGVSITZXCQYTKS-IAGOWNOFSA-N 442.564 2.183 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722699763 NERMBALYPAOTFF-UHFFFAOYSA-N 437.610 2.107 30 10 IEEE CC(C)CCOCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723416839 WTVCAASOUPNNNW-UHFFFAOYSA-N 434.504 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1740547739 AJCUEVZHDGQIRH-FUHWJXTLSA-N 443.552 2.021 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740573531 FEQOKSUDNHPTHP-LJQANCHMSA-N 449.621 2.067 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1740618467 IEPNKJRWWSCIMV-TXPKVOOTSA-N 448.520 2.120 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccccc1 1740665870 TXSMKEOLLRJXPN-UHFFFAOYSA-N 444.948 2.432 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccccc2F)n1 1740688938 LXFSCODJODCHOR-UHFFFAOYSA-N 446.490 2.405 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1740762053 BNXAQFAUHYHJJE-REWPJTCUSA-N 444.624 2.250 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740851324 SVCJFUJZLGIFMT-IRXDYDNUSA-N 437.610 2.278 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740876507 IZGFCAGIRYBWOR-LJQANCHMSA-N 447.561 2.229 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1741697422 YALZTODRBOBKNL-QGZVFWFLSA-N 448.474 2.114 30 10 IEEE Cc1ccccc1CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742438685 XVBYYTRXLUNADO-BKBKCADHSA-N 436.516 2.253 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1746036030 YPQRMAUTCCKDJK-INIZCTEOSA-N 431.928 2.371 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1nc(C)no1 1747404593 FRRIXCCRMLYSDR-UHFFFAOYSA-N 443.533 2.012 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1748785068 LPSSYQLNBVTOJE-CQSZACIVSA-N 430.509 2.331 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749132907 FSJIDYJDQCUYCF-JTAQYXEDSA-N 444.624 2.345 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1749323730 KOSNYSLMKXHGDA-QGZVFWFLSA-N 437.610 2.424 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749357435 QEXNYQODCBHFFI-MRXNPFEDSA-N 435.536 2.190 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1749488363 JJIBZUKBFOFEIZ-GOSISDBHSA-N 431.518 2.028 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1749573710 ILWIZJLNYQJKRD-LJQANCHMSA-N 428.581 2.443 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1749715305 RUJYTHVBAOEOCE-LJQANCHMSA-N 443.523 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1749737057 WSISTFNOYXBSTF-HXUWFJFHSA-N 445.589 2.118 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1751262688 RNGQSBFPNDIFQN-LPHOPBHVSA-N 448.955 2.378 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)CC 1760103752 LJOSEZAOQSNBQW-NSHDSACASA-N 446.396 2.166 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1760119007 RUICHWNRIRIPBM-PBHICJAKSA-N 438.548 2.448 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCSCC1 1760198669 GTUIKFMMNBTFGP-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](CC(C)C)NC(=O)OCC 1760217069 NYLLCAVOOSWLNY-IBGZPJMESA-N 425.537 2.302 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(F)cccc2OC(F)F)CC1 1760258850 CRXDAFAHRTYERV-HNNXBMFYSA-N 435.450 2.326 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC 1760280519 GFNOMMKWDBTDAI-GOSISDBHSA-N 448.614 2.234 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760360901 NYDRKMMKHGHIMR-IEBWSBKVSA-N 438.536 2.099 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1760427432 AHJWZKSUKYTANW-SFHVURJKSA-N 448.593 2.155 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760517443 MMLNCPKTHPFXSK-SFHVURJKSA-N 441.923 2.003 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760520383 LRTGFLJEGQTFJA-UHFFFAOYSA-N 443.552 2.079 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCCC1 1760521144 LAENJQPBMVCWKG-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CNC(C)=O)CC1 1760525248 YXEBEHGLRHUMTG-UHFFFAOYSA-N 444.967 2.177 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(=O)N(C)C)CCCC2)C1 1760544910 JSKOMPOQBKJWML-SFHVURJKSA-N 427.553 2.109 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C)C(C)(C)C2)C1 1760546088 IMSOLXBNFFWJBG-OAQYLSRUSA-N 439.608 2.071 30 10 IEEE Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1761996723 VVEKAQMYBQXCMZ-NFFVOIMASA-N 449.515 2.430 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1763949338 HXWBPMDDUBRIHC-LSTHTHJFSA-N 439.539 2.384 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1767078851 LNRSILWLYQWPFC-IDYLYPCZSA-N 440.479 2.432 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCCCN2CCCC2)CCO1 1770747363 INIXIHFJBMWLOL-MOPGFXCFSA-N 429.569 2.004 30 10 IEEE N#Cc1ccnc(N2CCN(CC(=O)Nc3ncc(C(F)(F)F)cc3Cl)CC2)n1 1852840110 SBKJASSPNONJLF-UHFFFAOYSA-N 425.802 2.176 30 10 IEEE COc1ccc2sc(N3CC(C(=O)N4CCC[C@@H](N(C)CCC#N)C4=O)C3)nc2c1 1854305152 BLAVJHICHVKIBF-QGZVFWFLSA-N 427.530 2.104 30 10 IEEE N#Cc1ccc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)C2=O)cc1 1854977260 YFAPIBZONSIMET-IBGZPJMESA-N 443.912 2.111 30 10 IEEE Cc1noc(C)c1S(=O)(=O)Nc1ccc(N(C)S(=O)(=O)c2ccccc2C#N)nc1 1858271487 KWIRKCMZEMMODI-UHFFFAOYSA-N 447.498 2.184 30 10 IEEE CCC[C@@](N)(C#N)Cn1c(C)nc(I)c1I 1995381443 WZQPWNDIDZUNCG-SNVBAGLBSA-N 444.058 2.422 30 10 IEEE CCOC(=O)C(=Cc1ccccc1OCC)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 2040461602 YOQIOHILZRYLPG-UHFFFAOYSA-N 443.477 2.446 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060641748 MNKFIHNMUQMYJS-YHUYYLMFSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073752375 OWNVRTMOQAWOLN-ITEAAPOESA-N 436.358 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](C(=O)O)C1 2106601310 WNFKKFXWOWNXLC-GOSISDBHSA-N 446.353 2.492 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCCn2cnc(I)c2)C1 2215650975 VNIYECGDLXGXIH-UHFFFAOYSA-N 446.289 2.217 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247777705 QHSNHDAIWPRFBM-UHFFFAOYSA-N 440.371 2.007 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247859494 MXISCBDGNVLKIB-UONOGXRCSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247919129 PCBNCZBVTHAGEQ-BETUJISGSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2248402340 VRFVTHZGYSIKQF-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CC1(C)OB([C@@H]2C[C@H]2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2255594900 FWQAEOPXNQBCNU-QZTJIDSGSA-N 427.354 2.105 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626813 KVSWCRKOPOBASW-CQSZACIVSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631900 GCSMAKRHRLPHAP-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)NCC1(COc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)COC1 2256020385 CAOGORDESUGSPG-UHFFFAOYSA-N 434.342 2.488 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256024395 YFEXMUMMPWBCNY-UHFFFAOYSA-N 433.358 2.352 30 10 IEEE CCC1(NC(=O)c2nn(C)c(B3OC(C)(C)C(C)(C)O3)c2C)CN(C(=O)OC(C)(C)C)C1 2267000821 CLLHNUGASZJKHQ-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267093663 WRTSBPFDZPXMSU-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267106833 FTEAZRSBQTZFOI-HXUWFJFHSA-N 435.377 2.190 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267133517 CVGURAMWLNUNMF-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267137677 SIYUZOVFVBZFMT-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@]2(C)C1 2267144864 BUBIVKRAEPBHEJ-PEBXRYMYSA-N 446.357 2.038 30 10 IEEE CCn1cc(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267178039 WSKCGFFEEBLONN-QZTJIDSGSA-N 436.365 2.062 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267514126 UVEJVXKVUYDARL-LSDHHAIUSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268663391 KTFJQAAZOMIYNW-HZPDHXFCSA-N 447.341 2.249 30 10 IEEE CON(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C)C1CN(C(=O)OC(C)(C)C)C1 2269707994 QNSKAYZGDWDAAG-UHFFFAOYSA-N 447.341 2.312 30 10 IEEE Cc1cc(CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273750306 FCSKYUNUDKDKQA-QGZVFWFLSA-N 448.369 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@](O)([C@@H](N)C#Cc2ccc(Br)cc2)C1 2278791424 RQCCFYHWLUNLIV-QFBILLFUSA-N 425.323 2.126 30 10 IEEE C=C1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286027906 VHICECAVEOTAJB-CEXWTWQISA-N 436.530 2.357 30 10 IEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1 2296549730 QNVCIOGWBCBELW-NRFANRHFSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2300302704 DOLVSPHAUICUQW-UHFFFAOYSA-N 437.371 2.477 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2312860721 QFSPMRJCCNSHRC-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](O)C1 2322295699 BISYSEDLAPELIN-HZPDHXFCSA-N 437.321 2.302 30 10 IEEE Cn1nccc1C#C[C@H](NN)c1cc(I)ccc1Br 2341996979 GIYPOVXYXGHIQU-ZDUSSCGKSA-N 431.075 2.343 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(CC)CC(=O)Nc3ccc4c(c3)OCCO4)cc2C1=O 18094528 OQFJBYRHKVVBOA-UHFFFAOYSA-N 449.463 2.341 30 10 IEEE C=CCN1C(=O)[C@@]2(C(C(=O)OCC)=C1CC(=O)OCC)c1ccccc1-c1oc(N)nc12 20167512 RTBJXHJLBRUSTG-HSZRJFAPSA-N 437.452 2.322 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 254758448 IAKXZFLSAKKFCH-VQIMIIECSA-N 444.534 2.302 30 10 IEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1)[C@H]1CCOC1 461706298 VQDHJAKMWLCTMR-MOPGFXCFSA-N 427.505 2.007 30 10 IEEE C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)n1nnc(-c2ccccc2)n1 463642302 DMNPRWLSWPZBFF-KDOFPFPSSA-N 433.497 2.313 30 10 IEEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)n1cnc(C#N)n1 467126240 PYTYXYBOXCNFSN-NSHDSACASA-N 432.412 2.428 30 10 IEEE C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 471996536 ZNIIXLGESOAHRI-ACJLOTCBSA-N 448.508 2.093 30 10 IEEE CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 478851515 GTQIQNCTPBTTDJ-QGZVFWFLSA-N 426.538 2.054 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 481465455 KBUDIXDRBUPCLM-GHTZIAJQSA-N 440.569 2.396 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccccc1C#N 482564260 VFQCSOOHMIDPCY-UHFFFAOYSA-N 430.514 2.432 30 10 IEEE CSc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] 485740946 BZXUINXGHSOZKP-UHFFFAOYSA-N 446.510 2.335 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cn1 501992450 ZXQZKVXXJYHODN-INIZCTEOSA-N 436.497 2.497 30 10 IEEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505380497 SMVICKUMLODDRS-TZIWHRDSSA-N 433.512 2.052 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 508937499 CSJHJQVUSDSNBV-FQEVSTJZSA-N 431.500 2.298 30 10 IEEE COc1cc(C)c(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 515379948 DXYUSNGSEAYNSW-UHFFFAOYSA-N 444.513 2.422 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)n1 520553689 LWBFKQFQUKZIES-KKXDTOCCSA-N 428.443 2.018 30 10 IEEE C=CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)Cc1cccc([N+](=O)[O-])c1 521715435 SQYKDMXMRKUHNU-GOSISDBHSA-N 447.517 2.086 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(S(N)(=O)=O)cn3)c2)c1 537298034 WTSHFGLHGZQXJN-UHFFFAOYSA-N 435.461 2.168 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccc([C@@]5(C)NC(=O)NC5=O)cc4)no3)cc2C1=O 545535798 VULVIATXZWMCIG-HSZRJFAPSA-N 443.419 2.240 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(CCc3ccco3)n2C[C@@H]2CCOC2)CC1 550049907 RVPJREQEXANNCC-SFHVURJKSA-N 433.516 2.286 30 10 IEEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)ccc1C#N 575963918 LNVCIEZIQSLYOF-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C 576537937 XHNNPNPOXYKQMQ-CJNGLKHVSA-N 443.338 2.372 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCN3CCC[C@H]3C2)C1=O 730140643 GZOUTVIFFRJTAR-ZCNNSNEGSA-N 443.617 2.313 30 10 IEEE C#CCN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 732061985 NCTMPMYLAXXKJB-MRXNPFEDSA-N 437.587 2.461 30 10 IEEE CCOC(=O)[C@H]1CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCO1 741392538 PQCGDOJNRFTINU-CQSZACIVSA-N 433.515 2.498 30 10 IEEE COc1ccc(C[C@H](C)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 742646546 OZASNBYWPDLAGR-LSDHHAIUSA-N 445.541 2.268 30 10 IEEE C[C@@H](CC(=O)NCCc1c[nH]c2ccc(F)cc12)/N=C1/NS(=O)(=O)c2ccccc21 742685890 UOYUUTBHVWHWMO-ZDUSSCGKSA-N 428.489 2.483 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)cc1 744627192 UQVXZPXVVOWMEB-ICSRJNTNSA-N 432.542 2.182 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2cc(F)ccc2F)C1=O 747452909 JTNVBJHCRVHIIZ-KRWDZBQOSA-N 446.479 2.374 30 10 IEEE N#C[C@@H](C(=O)CC[C@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751825752 BQVZFVBNTCRFTH-LPHOPBHVSA-N 433.530 2.325 30 10 IEEE Cc1c(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cccc1S(N)(=O)=O 754327579 QKEBKTNXKGLVDB-NSHDSACASA-N 433.511 2.248 30 10 IEEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 754436980 FKUGHNSYCCVBLS-QZTJIDSGSA-N 446.573 2.422 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccccc1CS(=O)(=O)N1CCCC1 755152495 PMXMTHZIJXJHPX-UHFFFAOYSA-N 426.494 2.009 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H]1C(=O)O 757445184 ZLQCUJPYEJMSKV-BHDDXSALSA-N 448.475 2.275 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc3ccccc3nc2Br)CC1 760186033 LZVBRPIWKZWRMA-UHFFFAOYSA-N 432.322 2.449 30 10 IEEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C#N)c(Cl)c1 762514024 YBBIWXSWSNYGDF-QGZVFWFLSA-N 431.949 2.234 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 769663305 NWVURGHVZNSSAQ-MRXNPFEDSA-N 426.517 2.351 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)C2(N3CCOCC3)CCC2)n(Cc2ccco2)c1C 769816179 JQBHBQMGHAKBSD-UHFFFAOYSA-N 440.500 2.355 30 10 IEEE Cc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n(C2CCOCC2)n1 771787332 QTFBTCZSTMISHT-UHFFFAOYSA-N 431.518 2.000 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n([C@H]3CCOc4ccccc43)c2=O)c1 776755435 APAOQAOHBKHFQS-IBGZPJMESA-N 430.489 2.020 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2=O 778736667 OEYYBDHIJANOCW-MTTLDHAHSA-N 438.484 2.098 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnc(C)s2)c1 779745378 MLJULXDWNGWYNU-INIZCTEOSA-N 446.602 2.355 30 10 IEEE C=CC[C@@]1(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 790104854 WWVWRNIZQOSWEM-NRFANRHFSA-N 437.562 2.339 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSC 794643635 SCYIPQXGNBOCIR-UHFFFAOYSA-N 440.594 2.429 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2ncccn2)CC1 802553246 FOBZSYJWKGLVQG-UHFFFAOYSA-N 448.531 2.397 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 805106810 HWXTUEQSGJRPMI-QGZVFWFLSA-N 431.480 2.482 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN2CC(F)(F)F)c(C(F)(F)F)c1 813063727 ZQWVLBRDQXQWHF-LLVKDONJSA-N 429.342 2.409 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813711878 QZUORMMJKQCHKG-PMACEKPBSA-N 449.573 2.324 30 10 IEEE CC(C)(C)OC(=O)N1CCN2/C(=N/CCc3c[nH]c4ccc([N+](=O)[O-])cc34)NC[C@@H]2C1 849080984 AVAQASROYIYHEL-MRXNPFEDSA-N 428.493 2.499 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1144728862 ZUXBJSWMIVLNRL-LJQANCHMSA-N 449.511 2.173 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 1148426400 FCEIAEOUCLESMC-CABCVRRESA-N 426.539 2.431 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C 1152041414 JPNHKYLCRYMFOS-UHFFFAOYSA-N 426.535 2.263 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](N2CCn3ncc(I)c3C2)C1=O 1176420962 AIZATQLMYWSIKR-GFCCVEGCSA-N 439.282 2.042 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)CN[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1197212325 MRWCBIMTRIYLLJ-GOSISDBHSA-N 425.432 2.471 30 10 IEEE Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(N)=O)C=C1)=C(/S)NC[C@H]1CCCO1 1251775926 YRNHPMMQBOJUSZ-QGZVFWFLSA-O 429.522 2.270 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1264169162 VRDBNIKSWKBKKB-FQEVSTJZSA-N 435.590 2.288 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286387266 PKYDHZAFNDTSSD-QRWLVFNGSA-N 436.965 2.386 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1286438326 XMQRKLKHUBKANS-QHCPKHFHSA-N 433.597 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2coc(-c3ccccc3)n2)CC1 1286492433 LGNZFXSVROBOCL-UHFFFAOYSA-N 448.527 2.484 30 10 IEEE C=C(C)Cn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1286584968 YOHWNLAKTFQZQA-MRXNPFEDSA-N 439.582 2.071 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1286646943 YEYMGFWHJUJKHR-SONOPUAISA-N 448.614 2.263 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286708875 ZWGNUNLVZUHPBQ-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1286748042 RXKVJIWBARUHCU-GOSISDBHSA-N 442.495 2.403 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1288513149 CCBSCJWJTMXQES-UKRRQHHQSA-N 437.957 2.156 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291904026 VALROGLYKJUBKW-BKBKCADHSA-N 436.516 2.183 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC[C@H](C)C1 1297270040 BTKMXBNQOMXQNE-FUHWJXTLSA-N 426.569 2.491 30 10 IEEE COC(=O)N1CCC(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1299425551 FXUQFEGLHPEETL-FQEVSTJZSA-N 438.532 2.270 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1300296493 YGRGKXCOUQYPRA-INIZCTEOSA-N 427.530 2.224 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1300302691 CKYBMRDBYLBPLM-MRXNPFEDSA-N 434.500 2.122 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1300381504 FXXZVFJUSLBYQQ-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1300381895 KEESZFIHOGLOMW-RTBURBONSA-N 428.581 2.449 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301209463 VJMHRGXPLSKBFX-GOSISDBHSA-N 435.536 2.240 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1301424676 NQYOQNLXANGJLG-GOSISDBHSA-N 448.589 2.095 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCOC1 1301575448 HBQZQQSCPSSPAI-KRWDZBQOSA-N 442.545 2.161 30 10 IEEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1301617813 JBBADLXKEFNQGN-LJQANCHMSA-N 445.589 2.344 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC(F)(F)CC1 1303096159 OHYNBJQOFQFUHE-DUPDJQDOSA-N 436.463 2.282 30 10 IEEE C[C@@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1305237568 FAXLANGVWNNTQK-ORIGZDJFSA-N 444.586 2.399 30 10 IEEE COC(=O)C[C@](C)(NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccccn1 1309412318 CDLYZSQWOMUELY-KRWDZBQOSA-N 438.303 2.473 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1)[C@@H]1CCCO1 1310988282 YIEKKNKTGBUWHT-PBHICJAKSA-N 435.322 2.030 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1313585485 HVUCYUXYDOPJIB-INIZCTEOSA-N 428.543 2.335 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC=CCO1 1314895519 ORPZZHXDMKCOCG-HUUCEWRRSA-N 433.310 2.120 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1316242421 UXOKLNFUQRHTSH-RQZFFVEVSA-N 443.573 2.360 30 10 IEEE C[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(C#N)cc1 1349973753 ZXJDXKUDUGIOQC-AVBTWRTFSA-N 433.530 2.017 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1C 1358877185 YLWLMDXBVRUQEN-LBPRGKRZSA-N 430.310 2.351 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1358910256 JLBGWKYODXKFLM-UHFFFAOYSA-N 435.492 2.112 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H]1C(C)C 1358946307 PYFCEGUUWQCGEB-WMZOPIPTSA-N 430.578 2.369 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358964993 LOPLUKZGLVJGEQ-SFHVURJKSA-N 434.537 2.060 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)[C@H](C)CC 1358988985 KTEGTYQSDDHICG-JPYJTQIMSA-N 432.532 2.181 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)NC 1359021261 IRXZCFRLFQXFDB-UHFFFAOYSA-N 438.301 2.069 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2=CCc3ccc(OC)cc32)CC1 1359028186 JWMMXYXGINTLKT-UHFFFAOYSA-N 448.571 2.210 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1359270366 MOIATQJWNYTUMZ-UHFFFAOYSA-N 428.537 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 1359320202 NKWFYCUCUVWFKK-PMACEKPBSA-N 432.613 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccccc2[C@H]1C 1359334471 HHPLULNJRKYDNC-QGZVFWFLSA-N 443.573 2.125 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)n1 1436121828 VBPOBSPUWTXEPM-TZIWHRDSSA-N 442.491 2.241 30 10 IEEE COC(=O)CNC(=O)c1ccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1440711739 FZVZJTGTSPGQAB-UHFFFAOYSA-N 443.500 2.178 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 1456533955 NDYPAKMWYQQCCJ-UHFFFAOYSA-N 429.458 2.438 30 10 IEEE N#Cc1cccc([C@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C(F)(F)F)c1 1462367556 BNADHDFVGKIJAL-FQEVSTJZSA-N 442.397 2.350 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1cc(F)cc(C#N)c1 1469382926 GFPSXKPVYANSQZ-UHFFFAOYSA-N 448.476 2.320 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)C[C@@H](C)O1 1499780401 ASIOBJFEQJGDAS-YVWKXTFCSA-N 429.521 2.394 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1504660397 RSHQXBJZAONRJK-HNAYVOBHSA-N 438.488 2.240 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)n1 1504774089 AJSWPKGXSLEFJX-QFIPXVFZSA-N 437.504 2.186 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1cccc(C2OCCO2)c1 1504888098 IBZAFFHDXXEOKF-IBGZPJMESA-N 427.505 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1507515570 YLBVGQYAHKIGRN-INIZCTEOSA-N 427.472 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507536404 BXZNFFVDDSNRMN-CADBVGFASA-N 435.638 2.395 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507628683 HXIMWZCTARNJGN-IERDGZPVSA-N 432.521 2.280 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507635259 VGKVDMYYNDYLQM-LJQANCHMSA-N 430.574 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507650406 JPALHYXYQZWLMP-UHFFFAOYSA-N 426.542 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCN1C1CC1 1507657217 OWDWPFJQDIGUEF-IBGZPJMESA-N 436.585 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)Br 1507658544 LWMGCJZGKAYTPY-UHFFFAOYSA-N 437.248 2.376 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1507660051 LKRHQFJGJXTGLY-INIZCTEOSA-N 449.964 2.084 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507688932 CXWYDOVRISGXLW-QRVBRYPASA-N 435.594 2.183 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC(F)(F)C2)CC1 1507726567 IYBSUDUNHKMHKO-MRXNPFEDSA-N 448.543 2.460 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1507845932 UJOPCHRLFNNOCE-UHFFFAOYSA-N 427.549 2.333 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1507916174 LLRRSACHNHEBCX-CVEARBPZSA-N 433.582 2.253 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1cc[nH]n1 1508000018 RQUWIWGDIOJYGK-UHFFFAOYSA-N 441.499 2.491 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1509946467 GXMBCFJJPQMFTP-ROUUACIJSA-N 447.584 2.421 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1513527848 HSZNFXAZSLUYEN-UHFFFAOYSA-N 440.548 2.242 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C)nn2C2CCOCC2)c1 1528412059 LDFYJGASQDEQNB-UHFFFAOYSA-N 436.512 2.030 30 10 IEEE CN(CCCC(=O)N1CCc2c(CC#N)cccc2C1)C1=NS(=O)(=O)c2ccccc21 1530867958 KURLTVYVVBLXFE-UHFFFAOYSA-N 436.537 2.498 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OCC 1535345256 UDLFQBXNOUQVEN-BTYIYWSLSA-N 433.892 2.176 30 10 IEEE CC[C@H](Cc1ccccc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538308410 DTSUMWLKNFBPLJ-XUWXXGDYSA-N 425.348 2.415 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC2(O)CCC2)c1 1539040065 KRFNRXAUYGIFHW-UHFFFAOYSA-N 431.500 2.096 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539052083 KXSBIGWJZQYLNB-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1539202037 FGOKJTCCPDCCFA-IBGZPJMESA-N 430.574 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)C(C)C 1539232684 MIKRRBYHWRHHNU-QFIPXVFZSA-N 427.936 2.341 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccco1)N(C)C 1539299574 KSYJDQBKKNMYQH-WMZHIEFXSA-N 425.533 2.289 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1C 1539350805 ZKOAKCYJXPHGPL-UHFFFAOYSA-N 430.310 2.353 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@H]1CCCS(=O)(=O)C1 1539391789 ICEQUVGNJXJPSB-GOSISDBHSA-N 434.537 2.418 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)c2)CC1 1539428026 LVBAYRCNZSKDIM-UHFFFAOYSA-N 434.466 2.239 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCCC2)CC1 1539452102 LANVHNCBKBDHAJ-UHFFFAOYSA-N 428.531 2.388 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCN2CCC)CC1 1539460174 ZFZUBWQBXSJUDS-QFIPXVFZSA-N 438.624 2.159 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCOCC2)CC1 1539875406 XIPAGRCMWHMEJN-OAHLLOKOSA-N 443.639 2.203 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(C)C)C1 1540875822 YQJMBPXDFVIPSR-IBGZPJMESA-N 429.521 2.029 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)C1 1540894387 XBYNHGFWSVOKRI-UGKGYDQZSA-N 428.606 2.483 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOC[C@H]2C)CCOC1 1541727990 BUTSIGKNWWQAQH-WTIAFYNJSA-N 446.596 2.169 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1541806803 SVJDXHCALLALTP-HJPURHCSSA-N 433.516 2.478 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CC)C1 1547244781 GAZMVVUSDWBBPR-SFHVURJKSA-N 426.521 2.260 30 10 IEEE CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1547647062 QHJJFFGESFBYEO-ZVDNPCSMSA-N 443.596 2.312 30 10 IEEE CO[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C(F)(F)F 1554621924 AOAXGGQPGBJQAJ-GJZGRUSLSA-N 449.499 2.278 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1554689410 XOZJAHAWBLPYPV-YKNSSVCLSA-N 428.537 2.467 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1555328526 SLEUEYWLYDCPDP-OAHLLOKOSA-N 435.488 2.056 30 10 IEEE COCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555495462 VOFUFCUOTADANY-QGZVFWFLSA-N 433.520 2.062 30 10 IEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCCO2)CC1 1555991057 ORWSZHXBSSYYEW-SFHVURJKSA-N 439.520 2.251 30 10 IEEE CCC(CC)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(OC)c(OC)c1 1556103796 CWTWGXVJYCIYSD-UHFFFAOYSA-N 428.489 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN([C@@H](C#N)c4ccccc4)CC3)OC2=O)C1 1559613642 CJOGLGIKOHRYIZ-PMACEKPBSA-N 440.544 2.421 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2cccnc2OCC(F)F)CC1 1561845007 HZMXYYNDVYZIMD-UHFFFAOYSA-N 426.420 2.247 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C#N)cc2I)CC1 1563274129 DMZAFLMSARMSIC-UHFFFAOYSA-N 436.253 2.156 30 10 IEEE C=CC[C@H](CO)CNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1565100499 ZVDYDXIHLALOEE-KRWDZBQOSA-N 440.585 2.108 30 10 IEEE CC(=O)NCCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H](C)C(=O)OC(C)(C)C 1567460684 CNMOMAXMXQKCII-KRWDZBQOSA-N 433.553 2.041 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1583777199 FNZAIKQGCRXXCJ-UHFFFAOYSA-N 446.507 2.171 30 10 IEEE C#Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1583839827 QSNOYLYDXHTKDC-UHFFFAOYSA-N 440.521 2.156 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1587631437 CSMVGNSURMWTAY-MFEFFIJZSA-N 447.580 2.390 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(C(N)=O)CCOCC1 1587668072 RITHGHHDHXSYFW-SFHVURJKSA-N 425.533 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1588186503 YQBSYLFYTPKQAM-VWLOTQADSA-N 449.555 2.132 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1588593737 CVJPGQMUMFUWIZ-UHFFFAOYSA-N 441.557 2.260 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1588954644 KEVORJYLUWAQNW-FQEVSTJZSA-N 426.609 2.317 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@@H]2C1 1589317265 MABJVYRAAARQRD-INIZCTEOSA-N 449.309 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@@H](C)C1 1595805021 KLNDAVCAEQVUMP-JTDSTZFVSA-N 432.546 2.484 30 10 IEEE C=CC1(CC(=O)NCc2ccnc(N3CCN(C)CC3)c2)CN(C(=O)OC(C)(C)C)C1 1596057923 MKUHQFANSPWCFD-UHFFFAOYSA-N 429.565 2.263 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CO1 1602848029 GGCLAPQXLBVEBF-KGLIPLIRSA-N 434.880 2.232 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCOC[C@H]1CCOC1 1614034133 BXBBLUQSPOLDAE-JOCHJYFZSA-N 438.576 2.478 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H]([C@@H]2CCCO2)C1 1617306210 LJSYMKMFLVNANG-JYWFKMLOSA-N 429.492 2.483 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1620251547 ATQHINOGSKUIKT-GOSISDBHSA-N 446.602 2.184 30 10 IEEE CN(C)c1nc2c(s1)CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)CC2 1620548708 DXWYXCWXWZHUDL-MRXNPFEDSA-N 430.603 2.038 30 10 IEEE C[S@@](=O)C1(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCN(C(=O)OC(C)(C)C)CC1 1624810292 YVVPXBOZUXQIPA-WJOKGBTCSA-N 447.557 2.296 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)c1 1626999828 MBMRUCFVQROEED-LJQANCHMSA-N 430.457 2.471 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)CC1 1628146760 OXYSCXZLWMWYNW-UHFFFAOYSA-N 447.461 2.097 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)c1 1629557784 WWNBAHGEAZEHQK-ZDUSSCGKSA-N 436.461 2.483 30 10 IEEE C=CCn1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)nn1 1632531569 MREXGUDNANBDQE-GJZGRUSLSA-N 425.386 2.280 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](CO)Cc2cccnc2)C1 1634825979 REJYVPYPGOIUJE-OAHLLOKOSA-N 429.318 2.119 30 10 IEEE CCS(=O)(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1635559917 MFTUVBAOOYWWDG-ZGOJQLDESA-N 439.578 2.199 30 10 IEEE C#CCN(CC(=O)N[C@H](CC(=O)OC)c1ccc(OC)cc1OC)C(=O)OC(C)(C)C 1636325667 NCZKGNGBWCASNS-QGZVFWFLSA-N 434.489 2.295 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3cccc(OCC)n3)CC2)cc1 1637402652 FLFRHMVVNYGLQD-UHFFFAOYSA-N 444.557 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)C1 1637885070 CRNZFIRHDZCAII-WMZHIEFXSA-N 426.517 2.447 30 10 IEEE C#C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1643853804 CBTFXKZCUINTKP-MRXNPFEDSA-N 426.494 2.379 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCSC[C@@H]1c1ccccc1OC)c1cc[nH]n1 1644932210 AIHFYNDIHBSKSX-QGZVFWFLSA-N 446.529 2.409 30 10 IEEE Cc1c(C(=O)NCc2cncc(C#N)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1645029901 LPRVCNUACXIGKI-UHFFFAOYSA-N 425.493 2.355 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)N(CCO)C[C@H]2C)n(Cc2ccc(F)cc2)c1C 1646271350 DZIMHIXNBOLZJC-IAGOWNOFSA-N 441.551 2.489 30 10 IEEE Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 1648373526 QEMLJVFITLXXHZ-SFHVURJKSA-N 426.542 2.316 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc1 1648950337 YDJNPVYBCOSOAV-UHFFFAOYSA-N 447.557 2.164 30 10 IEEE C[C@@H]1CCN(C(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)C[C@@H]1NC(=O)C(F)(F)F 1651166648 BVLQTXKJJPMRQN-MURWCNHISA-N 429.336 2.458 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2c2ncc(Br)cn2)CC1 1660237394 DXUOQXKBZFDLMO-ZWKOTPCHSA-N 449.397 2.458 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 1671750772 CKELBCHRIPQKRB-UHFFFAOYSA-N 428.352 2.126 30 10 IEEE CNC(=O)[C@H](CNC(=O)NCc1ccc(OC)c(C#N)c1)Cc1ccc(OC)c(F)c1 1683580378 XCHPVPQIAXQVEC-KRWDZBQOSA-N 428.464 2.119 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C(F)(F)F 1687402779 WRHJHPUVVRFVFG-HNNXBMFYSA-N 445.467 2.012 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1689885444 IUNDGVLDSREDPN-UHFFFAOYSA-N 448.531 2.024 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1689893297 XGYMQSJNIGNLOQ-KRWDZBQOSA-N 446.577 2.233 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1689914862 HJEXCFSEWOOBDY-HNNXBMFYSA-N 431.338 2.271 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689998631 RQQFISIMUDUCPX-ZCNNSNEGSA-N 444.557 2.144 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1690088816 XMYLSZSCLSEADH-HRAATJIYSA-N 434.537 2.120 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1690124582 OMEXIKLYHLCBFU-GHTZIAJQSA-N 442.995 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCN(C)CCOC 1690206469 RWJCJOHVAKSXAD-NFBKMPQASA-N 425.533 2.361 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1690345813 DFKMMLKQHMOXGJ-INIZCTEOSA-N 425.942 2.440 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1690507131 DSNCNEFYABRPAO-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1690527098 JIDKEZMGRNVSDE-LJQANCHMSA-N 444.561 2.071 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1CC1(O)CCS(=O)(=O)CC1 1690607749 SEFOWFPAOSCNOU-UHFFFAOYSA-N 434.562 2.313 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690662844 FNHJIEAWSFYIDS-GOSISDBHSA-N 446.515 2.270 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CCOc2ccccc2)CC1 1690670018 WICCBDZRXBKTOF-UHFFFAOYSA-N 438.576 2.439 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cn[nH]c2)C1 1690711759 HXIOBYNLEFNGCU-MRXNPFEDSA-N 427.534 2.017 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCNC(=O)Cc1cccc(F)c1 1691005845 GKZIEFDDXPTKRM-QGZVFWFLSA-N 435.507 2.358 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1nnc(C)s1 1696328163 AJWUDNZVZGASAN-UHFFFAOYSA-N 442.524 2.360 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1697044550 FVUBQYZHAHYNQY-BJLXPSRBSA-N 429.546 2.363 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1(C)C 1697676249 GSJTVBCLPPPPDY-SFHVURJKSA-N 446.577 2.006 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1705495105 KNJIROICHLFIGL-WIYYLYMNSA-N 441.601 2.282 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1705551170 IEXUIDUXTOSLHV-RTBURBONSA-N 446.596 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(C)C 1705580286 GPNPVKVIERBINB-XMSQKQJNSA-N 444.539 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 1705648778 YNRQGQJNYACRBT-MAUKXSAKSA-N 442.589 2.316 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705663049 UXMITFOAFMXREC-GOSISDBHSA-N 443.602 2.102 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1705892496 KJNZQUHIEBGMPF-UHFFFAOYSA-N 441.532 2.218 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)c2ccccc2C1 1705905896 LBNDMURAUSYBSS-UHFFFAOYSA-N 437.573 2.392 30 10 IEEE CCCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1709837319 BCTVUECOSFMZBP-OAQYLSRUSA-N 427.484 2.115 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCCCC1 1710697750 JVZCZIZCYJFGGK-UHFFFAOYSA-N 425.537 2.226 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711072423 CJQILMBQBQCCJZ-GOSISDBHSA-N 439.545 2.063 30 10 IEEE CN(CCCCCO)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1711193534 KAYKPHRPLUBSNW-UHFFFAOYSA-N 447.499 2.304 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccnc1 1722277955 BTXBWGCKTFXZNW-QGZVFWFLSA-N 438.557 2.291 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(C)c1 1722285052 SECVBFCCFKPXSA-KRWDZBQOSA-N 431.500 2.122 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722369074 YFYIWWRPXOTRBM-ZWKOTPCHSA-N 428.558 2.280 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccncc2)CC1 1722436065 VPISCBURQRFVOL-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCCOC)CC1 1722436509 AKDRLCNEEBQNHY-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1722438158 ZIQXPVVDNMETMD-LGVFNWMJSA-N 428.625 2.438 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722461201 PPAVZDLXRBRTCF-LJQANCHMSA-N 426.590 2.371 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1722469020 RVZDKIDDBZUKEH-DHIUTWEWSA-N 438.532 2.461 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1C(C)(C)C 1722502206 RSEDMAYJRYKUSZ-IKGGRYGDSA-N 425.599 2.075 30 10 IEEE C=C(C)COCCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1722536605 PTKVFSZXNHXUSO-AVRDEDQJSA-N 430.553 2.250 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1722537833 RODMUTPFYBLLEO-APWZRJJASA-N 427.505 2.098 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722603567 YAMJTJVECVXNNX-GHTZIAJQSA-N 438.580 2.080 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C)C1 1722737038 QPXBWKYOVOISCG-GVDBMIGSSA-N 426.583 2.023 30 10 IEEE Cc1csc([C@@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)n1 1725040151 NVLMIDRAFJACPR-ZDBRSUKYSA-N 427.534 2.262 30 10 IEEE CCC(CC)[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)OC 1727154230 GZDXOWDRVRARCB-QZTJIDSGSA-N 441.536 2.495 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1729754780 HJBREGVXKLXXSN-GOSISDBHSA-N 449.515 2.208 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1729766001 PWJQNRHIPDAUKM-SFHVURJKSA-N 436.516 2.121 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1730274731 BKELJDMCKKAHGN-CEXWTWQISA-N 440.548 2.182 30 10 IEEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1730485861 YLCISOJJQQRSKH-MRXNPFEDSA-N 440.458 2.057 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1740542030 MYESICNNKHRPAM-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740550321 HTMUQCFIDIHNSD-KRWDZBQOSA-N 439.541 2.204 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740575622 PREWTLCUZBNEGK-RTBURBONSA-N 437.610 2.083 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 1740583196 WPXUQSOGUNLSJL-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCC(OC)CC1 1740683465 HUHRVKWCBVAVBN-UHFFFAOYSA-N 426.565 2.316 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC[C@H]2C)CC1 1740691895 BYEQIJYUDVGROM-HZPDHXFCSA-N 447.381 2.464 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1740695757 CHYBLQVNRYAWFF-MRXNPFEDSA-N 434.466 2.194 30 10 IEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1740883393 RWCRJUBAQNVIBJ-UHFFFAOYSA-N 433.578 2.364 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc2c(c1)C(=O)NCC2 1740942574 VSCNUUOGFNGJKY-UHFFFAOYSA-N 432.528 2.237 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1740956502 SXUSVZUJRHJIHQ-HXUWFJFHSA-N 432.528 2.480 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1741094003 SJQFTROGVAMNJA-LJQANCHMSA-N 442.589 2.285 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1741132302 HBLASGPLMAGFAC-HNNXBMFYSA-N 428.500 2.488 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1741286626 BXYMUZCDYBVJAW-QFIPXVFZSA-N 439.495 2.333 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741609399 FZPIRULSNSLMKZ-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE CCc1nnc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1744522337 XNHMJOQWBFITRV-OALUTQOASA-N 435.529 2.223 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OC)cc1 1747193873 OUJLSVUXHRDGHW-UHFFFAOYSA-N 433.516 2.465 30 10 IEEE CNC(=O)c1cccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)c1 1748162767 BNLDWZCVQKOJJI-GAJHUEQPSA-N 440.548 2.465 30 10 IEEE CO[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1748389088 ZLRQAHAWBLZZCK-SXGZJXTBSA-N 438.504 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1748863746 GEODRAUPLYMMBQ-HNNXBMFYSA-N 449.577 2.261 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)c2ccco2)CC1 1748982788 DMDUQXAVBUOQAE-UHFFFAOYSA-N 432.528 2.286 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)OC)CC1 1749003376 HKROXVSZQHFHBW-UHFFFAOYSA-N 440.504 2.244 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749047321 VALYOXVQCIQMTB-MAUKXSAKSA-N 429.521 2.077 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1749109072 BOBNULOHYHPCMF-SFHVURJKSA-N 436.358 2.011 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)cc(OC)c2)C1 1749713568 UZRISXBSALSUJY-RBUKOAKNSA-N 446.573 2.327 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCCN(C)C)cc1 1760095325 LPHQTRZMFMBHPU-LJQANCHMSA-N 438.576 2.351 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1760114741 SBLGANZDVWMVES-DLBZAZTESA-N 435.532 2.020 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1cnn(C)c1 1760161218 YOCUKOIUCMJIEK-UHFFFAOYSA-N 425.924 2.297 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCc1cc(OC)ccc1OC 1760218167 ZJRKFVGWEKXSHC-HXUWFJFHSA-N 435.528 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1760323298 BYNJQINGCJQVGL-UGKGYDQZSA-N 431.581 2.287 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769723266 ZUBLCKWIRJKVTK-QGZVFWFLSA-N 443.515 2.230 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1770803319 SXBSVTFTNRCOKF-AQOAWAETSA-N 445.495 2.097 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](OS(C)(=O)=O)CN(C(=O)OCc2ccccc2)C1 1848350704 PCJOPKRTWSFBOX-HOTGVXAUSA-N 428.507 2.267 30 10 IEEE COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1 1852191421 DVAJFQJTHYRRCJ-UHFFFAOYSA-N 442.541 2.396 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)cnn3CC(F)(F)F)CC2=O)cc1OC 1852245586 OOEJNWNKUDLHCF-NSHDSACASA-N 437.378 2.326 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cc(-n3ccnc3)ccn2)cc1 1853327397 CRQKRXUHSZKNLH-NRFANRHFSA-N 433.468 2.076 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)c3cncc(Cl)c3)C2=O)C1 1854914066 YUZGUWOUIFJESW-SFHVURJKSA-N 425.876 2.286 30 10 IEEE CC(=O)Nc1nnc(S(=O)(=O)N(C)[C@@H](C#N)c2cccc(Br)c2)s1 1857960186 FZAFUVXWKUCCAD-NSHDSACASA-N 430.309 2.144 30 10 IEEE CCOC(=O)CCN(C)C(=O)[C@@H](CC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868794376 BTJIFEKGZNEODW-MSOLQXFVSA-N 448.589 2.331 30 10 IEEE Cc1nc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c2n1CCCC2 1889303452 RMKMMFMPAYUCAE-UHFFFAOYSA-N 441.620 2.178 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NCCN3CCC(C#N)CC3)SCC(=O)N2C(C)C)cc1 1889818942 OWHNNPNOHKALMH-FCHUYYIVSA-N 444.601 2.440 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2244016341 XLMFUDPENJXABW-CVEARBPZSA-N 427.542 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255617971 FXNMRCDZGBUNNI-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255629106 QWXICKBCJMOGKP-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255838335 DQJPOJRWMSPIAU-BFHYXJOUSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255862339 RETABBBFQGYVLI-JLCFBVMHSA-N 431.342 2.301 30 10 IEEE Cc1nc(NC(=O)[C@]2(C)CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256636728 OZYDJEKMGAUOPD-NRFANRHFSA-N 432.330 2.422 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CCNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256889494 QMTGAKLTLHHOBX-UHFFFAOYSA-N 437.321 2.304 30 10 IEEE COc1cc(CNC(=O)CONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2260906094 YKOGYHSPVXFDFQ-UHFFFAOYSA-N 436.314 2.067 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2267492931 WRHNPPMDDMFZBA-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267515899 VRESUHVHYYJGGG-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268653889 SMOAADWMDBAEIU-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE COc1nc(N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501137 CSDWWMJTSKHYLX-HALDLXJZSA-N 431.342 2.349 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337293128 YZJOMPUUMQVQBY-CQSZACIVSA-N 448.373 2.047 30 10 IEEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)CCOCCF)OC1(C)C 2369954688 HWHPZRLKYAELKI-UHFFFAOYSA-N 427.756 2.106 30 10 IEEE COc1ccc(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)c(OC)c1 254839009 ZLKCGQRBXJJIIP-UHFFFAOYSA-N 446.485 2.424 30 10 IEEE Cc1ccnc(-n2nccc2NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 429988346 GDFIRKWTFUPNLJ-UHFFFAOYSA-N 445.483 2.287 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)C2=O)n(C)n1 472489480 UIZXBTHSYVQCCM-NRFANRHFSA-N 433.560 2.192 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 477251682 CYAONMDOJIBPDX-OPAMFIHVSA-N 425.510 2.273 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)o1 480952944 KSZRFUHTEQRHJC-UHFFFAOYSA-N 449.532 2.072 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CSc2nnnn2-c2ccccc2)CC1 502898534 ICGDEHPQGSSFDE-MRXNPFEDSA-N 425.543 2.225 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(Oc2cnccn2)CC1 508951121 LVWJBQQWOVSDIF-UHFFFAOYSA-N 447.547 2.476 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 508962116 PFAKLLREUWQAEQ-INIZCTEOSA-N 443.932 2.226 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 515082292 CQRBCNQAHAOMJV-UHFFFAOYSA-N 431.905 2.002 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 520051435 VISBLLDHILWRQE-OAQYLSRUSA-N 441.553 2.114 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 533215836 VOYSUFFFXVCAPO-DEOSSOPVSA-N 440.975 2.465 30 10 IEEE CC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCN1CC(F)F 537288327 SPUBTUJQOPHXNT-SJORKVTESA-N 425.549 2.118 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)n1 546923032 IMVHNLYLZWXDRA-SFHVURJKSA-N 442.882 2.383 30 10 IEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 553552227 YBAPXIXLNRSRJV-UONOGXRCSA-N 431.901 2.409 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C1CC1 569161554 BQNXJYNNFWUYCB-UHFFFAOYSA-N 446.454 2.164 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(F)cc1 603786800 OFYVTZPSRBLQQX-UHFFFAOYSA-N 443.450 2.344 30 10 IEEE CC(=O)OC[C@@H](O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 605697785 CGHAMUDDHDJEAF-MJBQJVBVSA-N 446.540 2.491 30 10 IEEE in-vitro C[C@H]1CN(c2ccc(CNC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cn2)C[C@H](C)O1 608983829 KQFCGCAFDZHWIN-ROUUACIJSA-N 449.559 2.430 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 610809804 IAHJKNYVELZYGX-JXFKEZNVSA-N 437.525 2.059 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 614604040 YPMOXCHRMXZJJX-UHFFFAOYSA-N 426.753 2.255 30 10 IEEE O=c1c(C=NNc2ccc(Br)cn2)c(N2CCOCC2)nc2ccccn12 727266471 UIEWXQRIHHFBRJ-UHFFFAOYSA-N 429.278 2.135 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)[nH]1 727357154 OLKRSMFGBJDIJM-LTGZKZEYSA-N 425.536 2.112 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccco2)C1=O 730140090 UPJUZYROTTVYMN-GOSISDBHSA-N 425.514 2.351 30 10 IEEE CCOc1ccccc1[C@@H](CC(=O)NS(=O)(=O)c1cc(C#N)ccc1C)NC(C)=O 734292975 APERWJXZXCRMOM-GOSISDBHSA-N 429.498 2.338 30 10 IEEE CC[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 743513272 VPQVVOXUBFQMNJ-IYOUNJFTSA-N 441.557 2.462 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 746200058 AHIUNZNISHIPPY-VXPUYCOJSA-N 434.443 2.290 30 10 IEEE Cc1cc(C)n2c(C=NNc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cnc2n1 755464134 RCLQAANHXVLFPP-UHFFFAOYSA-N 443.489 2.485 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 758224801 XFQUBBLROGFUOR-WOJBJXKFSA-N 448.608 2.134 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 762634822 DOXHZWKASWGTIX-UHFFFAOYSA-N 446.428 2.489 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2cccnc2-n2ccnc2)c(C#N)cn1CCOC 775766165 VSMLAFHUJLHSRA-UHFFFAOYSA-N 437.460 2.085 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1 780925925 HNSUDOBKFASCKC-FQEVSTJZSA-N 434.525 2.404 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 781661488 QFMKEIQIXACDLX-UHFFFAOYSA-N 425.579 2.460 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C)c(Br)c2)n1 788694147 LPGQZZNFAGXIEG-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)n1 790108767 FQWFQNJAXAIWSI-UHFFFAOYSA-N 426.473 2.312 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1C 793468415 JEQNFXSIYKCKHU-UHFFFAOYSA-N 448.548 2.421 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cs1 793819483 NZGRZYITFMKXEG-UHFFFAOYSA-N 442.545 2.439 30 10 IEEE CCN(CC)[C@H](C)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)nc1 794451502 XRCXGIKPZSYAKZ-RHSMWYFYSA-N 433.578 2.421 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802550775 GZSHTISRFXVDKV-HXUWFJFHSA-N 435.532 2.457 30 10 IEEE Cc1nn(C)c(N2CCN(CN3Cc4ccc(Br)cc4C3=O)CC2)c1C#N 802741774 XJAGFTUURBIXPE-UHFFFAOYSA-N 429.322 2.098 30 10 IEEE CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cscc2C#N)ccc1Cl 814614860 NKAFUDWOBWZIFO-UHFFFAOYSA-N 427.891 2.319 30 10 IEEE Cc1cccc2c1OCC2=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 814696268 CEGSQPMMPCLNFQ-UHFFFAOYSA-N 432.458 2.133 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cnn(C)c3)C(=O)[C@]12C 1082897582 AMLWFCFREPJGOD-UUFSLDAJSA-N 437.452 2.092 30 10 IEEE Cc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1136387476 LSFBXQMCJYORFK-UHFFFAOYSA-N 429.347 2.498 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)s1 1136641803 YYESQZPAYAOWOC-UHFFFAOYSA-N 448.975 2.451 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 1141323843 MLICSWAHKPEZIB-KRWDZBQOSA-N 445.520 2.215 30 10 IEEE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 1141568697 KMBJMKOVXPNYFA-UHFFFAOYSA-N 431.456 2.377 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1143719754 FSMOQIVILRLYEL-NRFANRHFSA-N 448.523 2.383 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(Br)ccc1-n1cnnn1 1146222378 YTHIXYMLJHTOIG-KRWDZBQOSA-N 427.262 2.102 30 10 IEEE C#CCN(C(=O)c1cn(C[C@H](O)CC)nn1)[C@H]1CCOc2ccc(Br)cc21 1146862138 MWTNNJSYDIPJEL-PBHICJAKSA-N 433.306 2.411 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@](C)(C(F)(F)F)C1 1152207611 MWXAWTFLGSHCAX-KSSFIOAISA-N 447.479 2.464 30 10 IEEE Cc1nc(C#N)n(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c1C 1166595184 PVQMUZFOTIJIMW-UHFFFAOYSA-N 428.518 2.261 30 10 IEEE O=C(c1ccc(S(=O)(=O)CC2CC2)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273731 VUFKVVKUIIOMFX-UHFFFAOYSA-N 442.493 2.388 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n[nH]2)c1 1184469841 BVMHMFBUZWZMKT-QGZVFWFLSA-N 436.497 2.383 30 10 IEEE C=CCN([C@H](C)COC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1192450802 XKTCDPBDHVHIJC-QGZVFWFLSA-N 430.592 2.463 30 10 IEEE N#CCCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1193522005 YLVRAPPTIZZZHW-UHFFFAOYSA-N 438.553 2.105 30 10 IEEE CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1233854498 XXIWTYKNIOYRCK-DGCLKSJQSA-N 439.314 2.140 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1286334292 IHROQNAANUDXEH-UHFFFAOYSA-N 436.491 2.456 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1286364745 HXHYZPSTNLOMQM-KRWDZBQOSA-N 443.548 2.009 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1286395232 RQYQIXGJXBDIAK-UZLBHIALSA-N 436.603 2.073 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(CC(C)C)C1 1286416174 WIOOSOPMVLUCOA-FSSWDIPSSA-N 427.593 2.443 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](CC)OC)CC1 1286472806 LNDGGEXMYRKODY-MRXNPFEDSA-N 435.370 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC=CCO2)CC1 1286494700 QFRCXLHLMCMUDM-LJQANCHMSA-N 425.558 2.241 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286562071 QCTWAXLQLCZZHL-IHPCNDPISA-N 441.580 2.401 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286780856 JQSOLCCZWHMDHB-MRXNPFEDSA-N 427.509 2.329 30 10 IEEE C=C(CCC(=O)OC)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1291852870 FIUUPCGNZFMZRY-UHFFFAOYSA-N 434.489 2.430 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291904027 VALROGLYKJUBKW-HYHOCUEZSA-N 436.516 2.183 30 10 IEEE C[C@@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1N1CCN(C)CC1 1295071620 GJRUUSXXUYHVOC-TZIWHRDSSA-N 432.609 2.121 30 10 IEEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCC(F)(F)F)cn1 1298817908 NYIQYFBZILHTQZ-OAHLLOKOSA-N 440.499 2.151 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1300310384 MQXABBWGKGITOO-FUHWJXTLSA-N 431.537 2.391 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1300510800 BINJCLKCPANEHU-INIZCTEOSA-N 449.964 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1300572167 QOOMKUWTMAHUGU-UHFFFAOYSA-N 446.960 2.001 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccccc2)CC1 1300682805 ROKDBIQGWSUSBV-UHFFFAOYSA-N 429.528 2.313 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1300965385 NCDDYMZPYHHILP-OFNKIYASSA-N 432.613 2.111 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300990443 DQJOQZVGDNTVMG-NRFANRHFSA-N 431.562 2.256 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1301399438 NCBPXSVDBZLRRE-IBGZPJMESA-N 440.573 2.348 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnc(C)s1 1301501531 YXQGCPNNRAYHIJ-SFHVURJKSA-N 440.529 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301505997 DXGQWCUJPLDZKF-XMMPIXPASA-N 439.560 2.254 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1301507063 VLXKMUBMZLCUNB-JOCHJYFZSA-N 445.571 2.277 30 10 IEEE Cc1cccc(-c2nnc(N(C)CC(F)(F)F)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1304454449 KKWKKRFGKKNKPZ-ICFOKQHNSA-N 435.410 2.173 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3CCN(C4CCC4)C3=O)c(C#N)c2N)cc1 1313099480 DKVGZUIWAOSLJG-FQEVSTJZSA-N 435.532 2.020 30 10 IEEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)SC)CCOC1 1314124223 UTAYBMIZNKCPLT-QKKBWIMNSA-N 444.561 2.217 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1316192353 YUESUWFKXHMNHC-DENIHFKCSA-N 448.612 2.367 30 10 IEEE CSC[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1316438025 FLUKYPJECFFOAX-FTFAEBDGSA-N 446.577 2.030 30 10 IEEE N#Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)o1 1316534272 VOIAMCMCTVXOCW-IBGZPJMESA-N 425.449 2.225 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358960831 MPDGTAAYJDJHJC-SFHVURJKSA-N 439.541 2.265 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1358966099 HVVBRQRNWDOZTI-HXUWFJFHSA-N 428.558 2.052 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358967114 DQGVSLSJIVATIP-OALUTQOASA-N 446.573 2.217 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1COCCO1 1359016145 REERYNCCTQOSNU-NZQKXSOJSA-N 444.507 2.125 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1359187307 IQCADNMCPKYIJU-UHFFFAOYSA-N 437.548 2.367 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1359238343 IANJKFUOUOGJKF-INIZCTEOSA-N 437.548 2.367 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)C1 1359319877 HQXZZJTUTCTVPA-OALUTQOASA-N 427.553 2.220 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1359343275 PRSVSZVYURQDOH-SFHVURJKSA-N 444.561 2.171 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)OCc2cc(Br)cc(C#N)c2)[C@H]1c1ccnn1C 1436079823 YVTWSFNMGFAZHW-MSOLQXFVSA-N 447.289 2.086 30 10 IEEE N#Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 1439706056 DELHZRCDEXPEKU-UHFFFAOYSA-N 430.555 2.221 30 10 IEEE C=CC1(CC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1443542581 BLJCZQINZRLJRW-SFHVURJKSA-N 448.608 2.391 30 10 IEEE N#Cc1c(F)cc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1F 1448190728 YEFLRTOXMZLJMG-VORVDVFJSA-N 438.434 2.256 30 10 IEEE O=C(c1cc(N2CCOC2=O)ccc1F)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618929 OYGLCSHBWSMTKC-UHFFFAOYSA-N 427.388 2.300 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1473573735 IXURNHKYQKEENP-WHEACTPUSA-N 432.569 2.156 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 1475467539 NHYMAVBVEQRLJB-UHFFFAOYSA-N 433.280 2.323 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1496156193 WYHUKCVQIHTSAW-GOSISDBHSA-N 446.563 2.059 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507553290 DCHZRDVZMLNHPF-UHFFFAOYSA-N 432.466 2.242 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCc2nccn2C1 1507603932 VKIBSARSVZEBCJ-INIZCTEOSA-N 436.516 2.499 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)CC=C 1507651872 FAPICGFRZNPONE-UHFFFAOYSA-N 435.509 2.274 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1507659369 SPTKUVFXVVOPGU-WORKWWTESA-N 445.589 2.033 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1507686702 GNCCVXUTNXKWHE-LEWJYISDSA-N 436.560 2.071 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N[C@@H](C)CC 1507700455 QPMGHHVIMDKAKB-QFBILLFUSA-N 440.523 2.313 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCN(C)C1 1507702347 UJZMWNXKIXRKGX-OFNKIYASSA-N 427.524 2.365 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cn(CCCC)nc2C)CC1 1507732945 ZCCQZMFTMOVLIF-HXUWFJFHSA-N 425.581 2.281 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1507733462 ZMMFEWASVOSRMM-MOPGFXCFSA-N 446.596 2.215 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507835741 LAZGMNWHTLUCOH-HKUYNNGSSA-N 443.552 2.094 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507840844 UJVFIPDVELXDIG-FPOVZHCZSA-N 426.565 2.480 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N2CCOCC2)CC1 1507906033 ZOBYFZZRSOFZOY-UHFFFAOYSA-N 430.578 2.285 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1508057494 CLOFYUVRFSSDKF-UKRRQHHQSA-N 429.912 2.319 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508095767 TYNJJANMASZBQE-GOSISDBHSA-N 430.597 2.444 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC3(CC2)C[C@@H]3C(=O)NCC2CC2)nnc1C(C)(C)C 1508096994 FOFLKSWPOQLMNS-QGZVFWFLSA-N 428.581 2.011 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1508135164 FCMLOMUHSZJPIV-RDJZCZTQSA-N 448.545 2.278 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C2CCOCC2)C1 1508140979 KSOTVQXIJJXWGS-OALUTQOASA-N 438.594 2.026 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CCS1 1512502201 YHAYZRKQIQKOIB-QGZVFWFLSA-N 430.578 2.249 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCNC(C)=O 1516590880 WKWOTQKVCXQLDV-UHFFFAOYSA-N 445.955 2.192 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOCC1 1521423158 KGMONYQPGSSELE-ZPHPHTNESA-N 446.870 2.101 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1)C(N)=O 1525475070 WSPARJKPXZJGLI-CQSZACIVSA-N 431.587 2.114 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 1530268491 FADCZRMFXTWSES-IAGOWNOFSA-N 427.526 2.481 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 1535417562 OGFZESXVGUSBDV-UHFFFAOYSA-N 445.497 2.049 30 10 IEEE N#CCCn1ncc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1-c1ccccc1 1537186783 CWYRBFMPLKYHRR-QGZVFWFLSA-N 436.493 2.428 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1C1OCCO1 1539273298 OGEACKKWLVDYAS-UHFFFAOYSA-N 430.512 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCSCCCO 1539320257 SGHPYWJZJOHQNR-UHFFFAOYSA-N 426.542 2.295 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC1(C)C 1539400035 YDACFESUAMZKOX-SFHVURJKSA-N 445.589 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCn2ccnc2C1 1539417905 YUOLMPFVRSJIGQ-LJQANCHMSA-N 434.544 2.423 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(C)COCCO1 1539420434 DRIKDGGXSOLDGW-QHCPKHFHSA-N 428.533 2.365 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539453774 QTDNAECPLJLBMI-NRFANRHFSA-N 438.551 2.022 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)COC)CC1 1539462186 DGLVFJARYQZLCI-MOPGFXCFSA-N 446.596 2.388 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539742849 LXEBCOIADYGPLY-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNS(=O)(=O)CC)CC1 1539855313 SGSMMDSOZCVXLU-UHFFFAOYSA-N 443.577 2.002 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)CC1 1539889873 CRCWWDKKCRZQBA-OAHLLOKOSA-N 435.516 2.077 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1539968129 WTZFLSOJLDKEPF-HNNXBMFYSA-N 435.516 2.221 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1 1540120139 CKPQPGIMVPCCDV-UHFFFAOYSA-N 445.527 2.207 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](COC)C1 1540865867 VDPAVIQKXJBUKA-CQSZACIVSA-N 434.338 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1540902599 MULAIVSGPIWQHF-SJORKVTESA-N 426.583 2.372 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1540903866 IZXXKNKFHSBQDR-QGZVFWFLSA-N 439.626 2.353 30 10 IEEE CN(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1552748948 FQLVFDCGGRQNFY-GDBMZVCRSA-N 434.342 2.105 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CCC(C)C)c1 1554414789 FIJJAYGRUQDSOK-LJQANCHMSA-N 437.548 2.403 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)n1 1555444909 VKPGOXIVYHLPMS-UHFFFAOYSA-N 435.488 2.372 30 10 IEEE Cc1ccc(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)cc1S(=O)(=O)NCC#N 1557410824 MJAWZUYQZRASQW-INIZCTEOSA-N 433.452 2.417 30 10 IEEE Cc1[nH]nc(Br)c1C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1558973181 GQBPOJYYBLQOFF-UHFFFAOYSA-N 429.072 2.277 30 10 IEEE COc1ccc(NC(=O)CN(C)[C@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N1CCCCC1 1560060391 MADFXHQMXIZBHP-AEFFLSMTSA-N 434.562 2.432 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccsc3)CC2)s1 1587554620 HNOFFCQHTWPENV-UHFFFAOYSA-N 425.601 2.161 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCS1(=O)=O 1588012195 ZWLIHCAPTLQDOF-UHFFFAOYSA-N 445.589 2.394 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064131 BGIAPSPALLNLGA-MJGOQNOKSA-N 428.558 2.325 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588065386 XVKCHUKEZQMWKG-QYZOEREBSA-N 431.537 2.029 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCC(=O)N(C)C)CC1 1588800931 ROFVZHGCNBAGTM-UHFFFAOYSA-N 433.560 2.060 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nc(C3CC3)cs2)CC1 1588968762 PYOJRLNASJNHCT-UHFFFAOYSA-N 428.562 2.163 30 10 IEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1589125960 SVBWMQPGBSWHRU-YESZJQIVSA-N 449.577 2.278 30 10 IEEE C#CC1(F)CN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1589646042 BDJQTEQQXFAEDD-QGZVFWFLSA-N 442.516 2.296 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2I)cn1 1598243240 LXPBWZWWDTVMQK-UHFFFAOYSA-N 427.223 2.214 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1611613055 LCGZNSCJLQYCRD-COPCDDAFSA-N 434.560 2.493 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1614868960 OJAOROTZCBONNJ-TXTKFYIRSA-N 446.596 2.312 30 10 IEEE CO[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1618962823 UDELTDAPUFGJMW-USXIJHARSA-N 442.486 2.316 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1619722812 BGMDHTJMIMVAPI-DYXWJJEUSA-N 441.532 2.253 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCC2(F)F)CCO1 1620354415 DPQIMQBWAALXJM-HUUCEWRRSA-N 431.447 2.480 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CC(O)(c3ccc(Br)cc3)C2)c1 1620452742 SUVCQAVOBHMUNQ-UHFFFAOYSA-N 428.286 2.282 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)s1 1629419177 FONBYBCRLFZMCC-INIZCTEOSA-N 443.541 2.452 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 1629935497 HWBSZBNGSBGCPD-ZDUSSCGKSA-N 433.933 2.432 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC(=O)NCC(F)(F)F 1630435066 ANTWVKWHUHIHJO-MRXNPFEDSA-N 440.422 2.187 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(O)(Cc4nc(C)cs4)CC3)cc2C1=O 1640299358 ASDQZZUKWLCHNP-UHFFFAOYSA-N 425.510 2.443 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@H]3CCC[C@H]3C#N)CC2)cc1 1643437901 HQLKLVIUQWIGTH-ICSRJNTNSA-N 447.557 2.415 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)c1C 1643898132 QMMOVPSOZUWYRP-UHFFFAOYSA-N 432.571 2.317 30 10 IEEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(c2ccsc2C#N)CC1 1679191461 GEWMYCJQOZYOGB-SFHVURJKSA-N 439.589 2.057 30 10 IEEE CN(C)CCOCCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1680250281 ZOFYLYJRTOXGKN-AOOOYVTPSA-N 427.336 2.377 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1 1683880142 HABBZZGPXDIXHJ-OAHLLOKOSA-N 447.586 2.463 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)C1CCOCC1 1684037205 UYFKKCOZPCZUPW-FZKQIMNGSA-N 427.314 2.467 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 1684226940 QYMNMVVMDAAGRD-HSZRJFAPSA-N 432.572 2.206 30 10 IEEE C#CCN(C(=O)NC[C@H](n1cncn1)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1687314030 VXUOIKRMRYQELB-HNNXBMFYSA-N 444.458 2.426 30 10 IEEE CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)NCc1nc(C#N)cs1 1687729521 IGLDUYFJFOOSJK-UHFFFAOYSA-N 428.474 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CCC)OC 1689835978 WRDAALGOUFQLME-FUHWJXTLSA-N 433.578 2.468 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@@](C)=O)CCC1 1690098425 HSFUAICBFYYRPA-WJOKGBTCSA-N 444.557 2.104 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)NC)CC1 1690114991 NRHLQHBBKBXYHG-UHFFFAOYSA-N 426.590 2.167 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOCC(F)(F)C(F)F)CC1 1690137359 WBXXOQHWBUYICM-UHFFFAOYSA-N 433.450 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(C(=O)NCC)CCC2)CC1 1690140426 YGSYXOCPQDTFFE-UHFFFAOYSA-N 448.571 2.217 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCCO 1690196770 XIXTYRFAMCGAQG-JOCHJYFZSA-N 445.589 2.350 30 10 IEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1690228742 DVCFHSJRBVIDAI-CJNGLKHVSA-N 448.321 2.414 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690308114 BEMROVXPNAAJHN-CQSZACIVSA-N 426.443 2.371 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690441564 AWTNXTXYNOBPKA-LJQANCHMSA-N 430.597 2.476 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1690515239 IHXAURNZQFEQOG-IRXDYDNUSA-N 448.593 2.046 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690686067 IURYXDLFRLZUTI-MOPGFXCFSA-N 432.613 2.300 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690816414 HOPGTSKNWVAYGG-OAQYLSRUSA-N 449.559 2.134 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCCC2)n1 1693429780 JNGGPIAIHPDSHB-FQEVSTJZSA-N 426.569 2.133 30 10 IEEE CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1695471132 CCSKINFIOKYHRN-ZBFHGGJFSA-N 428.562 2.386 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1696689751 ZCOBCLFJXJNGEZ-RTBURBONSA-N 429.546 2.462 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)CC#N)c1 1697017647 DWNRPBYMCQEDFN-MRXNPFEDSA-N 439.545 2.343 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705532167 HODWBHQEKWQOHP-KRWDZBQOSA-N 444.557 2.174 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1cc[nH]n1 1705607834 RYABHZFRFOIBHE-UHFFFAOYSA-N 448.350 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705644069 GHLQLQLTUAFUBI-QGZVFWFLSA-N 449.621 2.115 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1705652859 PUOPCRBZRDVIAP-JOCHJYFZSA-N 443.548 2.118 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC 1705700522 UTOAWUSFBXICIH-OXQOHEQNSA-N 438.532 2.256 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1705724924 ZDJSGCFKBWIIPN-QGZVFWFLSA-N 441.532 2.436 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCOC1)c1ccccc1 1705740950 BXIVONKXRXCZFW-MSOLQXFVSA-N 433.578 2.465 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nnc(C)s1 1705841921 GOMFVDSAINAVOX-UHFFFAOYSA-N 425.566 2.477 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1705897294 JUPSPNGNNHMQKE-HOTGVXAUSA-N 442.568 2.237 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705902723 MDSSBMYCOPKDDQ-YCRPNKLZSA-N 431.924 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1=CCCOC1 1706160440 YBNJNANPVBNNEN-ROUUACIJSA-N 444.536 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1722281672 ZFTUIRCXVONUFN-DLBZAZTESA-N 429.496 2.264 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1722341578 IFPKVBUUTYNQMW-HXUWFJFHSA-N 437.592 2.243 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722359198 JHSQRSGUPBLJMA-VQTJNVASSA-N 437.525 2.136 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSc1ccc(C)cc1 1722384477 WNAIUDUOWDLMSD-GOSISDBHSA-N 428.583 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(S(C)(=O)=O)cc1 1722400027 XRIQFMSYGDWBHS-UHFFFAOYSA-N 433.537 2.179 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722400714 WYXIASKNZMUEKB-HXUWFJFHSA-N 440.569 2.281 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1N1CCOCC1 1722427978 AKKIFXHQIHVCSE-NRFANRHFSA-N 439.560 2.143 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](CC)N2CCc3ccccc3C2)CC1 1722440530 AZDRXCVPWHJSGW-HSZRJFAPSA-N 436.604 2.407 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722488370 FFNCPCZSDSGJLF-OAHLLOKOSA-N 428.375 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccn2)CC1 1722695682 MBMHBIWGUXQMJU-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722698355 DWNDBXHJMSSFOX-IEBWSBKVSA-N 429.496 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722751235 RMSHQQYWLFEPGY-HKUYNNGSSA-N 445.589 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC=CCO1 1722981805 YAGCORFOTFSZSA-KURKYZTESA-N 444.536 2.424 30 10 IEEE CCOCCOCc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1729175687 HQFMDMUZROQPPB-LEWJYISDSA-N 441.532 2.112 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1729375549 CNIHTIJBJFMVCC-KRWDZBQOSA-N 437.548 2.082 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)CC1 1740571603 QNFFBPOTFUGPNO-UHFFFAOYSA-N 438.454 2.494 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1740573945 HYBVDRRJYMKWCB-GOSISDBHSA-N 430.578 2.101 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740616120 SUVYDGKPARWJER-IEBWSBKVSA-N 447.605 2.180 30 10 IEEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740673373 RTPCFSNPCRGCJL-HXUWFJFHSA-N 429.590 2.194 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740758313 WDMBUBHPNPQBET-HGMWCATMSA-N 444.580 2.094 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740786629 JXEYLACIFLBWRX-UHFFFAOYSA-N 431.541 2.259 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740786654 KYWGNTICHOQZIY-UHFFFAOYSA-N 434.585 2.092 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1740890866 KTFUXGNIBAPYPF-HZPDHXFCSA-N 438.623 2.409 30 10 IEEE CC(C)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCS1 1741404890 KCHWUTWRHMCITP-RHSMWYFYSA-N 435.575 2.271 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1748671590 LDWWATLPZWOORK-FUHWJXTLSA-N 446.573 2.288 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)N(C)C)CC1 1748979709 JKNZQRMOWTUMOC-UHFFFAOYSA-N 426.590 2.119 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2cncn2)C1 1749087994 YZHKWNYBUCEZBF-CABCVRRESA-N 440.346 2.344 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749097905 KKCIBRVDUVCXDW-CQSZACIVSA-N 437.342 2.221 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749457560 RXJHDFLNKUTPRF-QZTJIDSGSA-N 446.596 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749664195 HWKSRGYMLKBFEN-HNNXBMFYSA-N 430.484 2.101 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1749705198 GPLNEORTOJMKLM-UNMCSNQZSA-N 439.608 2.395 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749765157 CGMHSEXGUTXSBA-FUHWJXTLSA-N 440.577 2.426 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1750079488 QJQRABUFUXGDLU-CQSZACIVSA-N 442.911 2.317 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)(F)F)C1 1750377667 GREWECKUCGVRGR-INIZCTEOSA-N 427.362 2.294 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760108763 KMWZSCLPJJZPCG-QUCCMNQESA-N 438.576 2.354 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1OC(F)F 1760248996 SXFYTQMLZCAXSL-OAHLLOKOSA-N 437.422 2.104 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760287378 QHLLGHHCBQJXBR-MAUKXSAKSA-N 449.602 2.341 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1760519709 MRYWSOJYLLRTPL-QGZVFWFLSA-N 435.513 2.153 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCOCC(F)(F)C(F)F 1761215807 SDRGJSMXLSQHJJ-UHFFFAOYSA-N 434.438 2.463 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1762025542 VUBXBJGCGPIGTO-VQTJNVASSA-N 427.505 2.090 30 10 IEEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@@H](C)C2)cn1 1766953882 BDSGPHLHCCXUMC-SFHVURJKSA-N 434.548 2.238 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1767033048 ODHAIOXEFKFRRJ-GOSISDBHSA-N 442.564 2.480 30 10 IEEE COc1cc(C)ccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1768254742 JPNMLNRICLOWAR-WMZHIEFXSA-N 441.532 2.413 30 10 IEEE COCCN(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1771082935 ICVLSYDJPHAZQZ-HXUWFJFHSA-N 426.521 2.109 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1771347105 AVADEYOMXAZCQS-MJGOQNOKSA-N 443.573 2.381 30 10 IEEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792097 GQWGJPHFBDTSLZ-QGZVFWFLSA-N 428.466 2.058 30 10 IEEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@@H]1CSC(C)(C)C(=O)N1 1849847903 QWCKZEAANJUEJN-OALUTQOASA-N 448.585 2.048 30 10 IEEE Cc1cccn2cc(CC(=O)O[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc12 1851209162 RPPYTJRNDQCVCD-JOCHJYFZSA-N 434.496 2.380 30 10 IEEE Cc1nn2c(C)c(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cnc2c1C#N 1851380231 XIUZUFBBAQAERK-UHFFFAOYSA-N 435.507 2.299 30 10 IEEE CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852605619 LECCYYLXOMVDOI-IBGZPJMESA-N 428.558 2.395 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1 1856334724 VLHNHDUEETVBNH-INIZCTEOSA-N 425.510 2.111 30 10 IEEE CC(C)(CC(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O)c1ccccc1 1856635679 QBULLAOPOZJWAX-GOSISDBHSA-N 433.530 2.267 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3c(F)cccc3Cl)C2)CC1 1857042519 ZRMKSTWJRHNSHP-CYBMUJFWSA-N 427.885 2.033 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc3[nH]ncc3c2)cc1=O 1871009396 TYGQAKDDPUDOEN-UHFFFAOYSA-N 437.481 2.044 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)/C=C\c1ccc2c(c1)OCCO2 1873710936 ZTLDRYMYBWXSAA-XQRVVYSFSA-N 441.509 2.252 30 10 IEEE CCCNC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874461154 YQZDZHDFFWOWAJ-IFRROFPPSA-N 432.384 2.411 30 10 IEEE COCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(O)cc1O 1874473027 JGJWPMLBDWPXGZ-CIAFOILYSA-N 433.534 2.301 30 10 IEEE COCCc1nnc(SCCCO)n1/N=C/c1cc(Br)cc(OC)c1O 1874474081 LWVPTHUWBKBIOZ-VCHYOVAHSA-N 445.339 2.300 30 10 IEEE CC(C)(C[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)NC(=O)OC(C)(C)C 1990494750 MJMLOPSXZBGLET-JKSUJKDBSA-N 425.574 2.452 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1990495297 RAOMUMJOJBKLTK-HZPDHXFCSA-N 425.574 2.404 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2010226016 WELUUEPTVRIWNI-YESZJQIVSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)O 2010520537 ZQDIYMNVWLMHPL-WZONZLPQSA-N 430.549 2.277 30 10 IEEE Cc1ncnc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2116145216 KSUMJKIDJMZMQH-PMACEKPBSA-N 436.365 2.174 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCc2ccc(C#N)cc21 2189921808 QRQWRUMUZGBNQH-NRFANRHFSA-N 427.457 2.275 30 10 IEEE CC1(C)OB(c2cnc(N3CC(N4CCSCC4)C3)c(Br)c2)OC1(C)C 2191166256 MMOJNEYAGUADHL-UHFFFAOYSA-N 440.216 2.381 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243427499 WKQMOURFZUWYBR-GASCZTMLSA-N 428.360 2.197 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2247470077 CUNMZQJDDFGDIC-INIZCTEOSA-N 442.557 2.309 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247919656 SLRHBHJYMZQWQN-UHFFFAOYSA-N 447.313 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248445922 TTWYMKXWPNVLKY-STQMWFEESA-N 437.371 2.362 30 10 IEEE CCn1cc(C(=O)N(CCN(C)C)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255813338 NREUWYAYTVZBFB-UHFFFAOYSA-N 426.370 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827427 JXXGWMDVVAOTMN-HDJSIYSDSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)n[nH]1 2255872117 SCBGJPXBEWNECI-CYBMUJFWSA-N 431.302 2.450 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256605524 LLTGDKCDSHACHM-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256625630 ZJMYEQCTFSBXFW-WMLDXEAASA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1)C1COC1 2256675375 GJHHECSUOKTECG-QGZVFWFLSA-N 432.326 2.464 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2257487272 XDVVNRIGJUHKMF-CVEARBPZSA-N 431.342 2.475 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2267126147 KALYBFZEZVEZCX-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267163837 ZPALVNYZIUMMQG-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1 2267171157 FYMXGEGPGNVVHI-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(Cc2ccccc2)C1 2267184718 OGGZWTBVKRWMNX-LJQANCHMSA-N 438.381 2.456 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@H](C)CN1C(=O)OC(C)(C)C 2267186157 FYRMMSHPAJPAQN-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCC1 2267187719 CBTYTEZBLJZEAV-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cc1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267511048 WEZWNIGZPZWSOG-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267591495 CRESBXGZMZNDTK-GOSISDBHSA-N 436.365 2.370 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267597086 SYYSHXBDYJWTSY-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267598878 HCXZFYKRZXBENE-HZPDHXFCSA-N 445.369 2.262 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268640683 YHKGXZOUPHCWBF-KBXCAEBGSA-N 446.353 2.102 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268671452 LMENTSBNGORYGO-KRWDZBQOSA-N 446.353 2.415 30 10 IEEE COC[C@@]12CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]1CN(S(=O)(=O)N(C)C)C2 2297649104 QIJRHZDXBGVFGP-YJBOKZPZSA-N 446.495 2.158 30 10 IEEE COC[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C=CCN1C(=O)OC(C)(C)C 2314775251 IVLQFQJCRNXEOB-RDPSFJRHSA-N 440.544 2.415 30 10 IEEE Cc1cc(CNCC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2320503849 LPGBXGQOVKVPNU-UHFFFAOYSA-N 432.370 2.366 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccccc2C(=O)O)CC1=O 2329045495 OCPAJMQXOZYEJD-HNNXBMFYSA-N 431.518 2.057 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)n1C 2337184599 HMJBHFGAIRMDNV-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE NN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(Br)cc1I 2341629467 PCCWEXSZORKXFI-SGESHTKJSA-N 433.087 2.454 30 10 IEEE CCn1c(=O)/c(=C/c2ccc(N(C)C)cc2)s/c1=C(/C#N)C(=O)Nc1ccc(C)cc1 3257967 SNSXJZSFCVMENQ-MTOSODPESA-N 432.549 2.446 30 10 IEEE C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]4(C)[C@@H]2[C@H](O)C[C@@H]1C3 4097903 YVMIOJMVICZZJA-UIZRKYKGSA-N 432.513 2.387 30 10 IEEE biogenic,in-vitro CC1(C)CC(=O)C(=CN2CCNC(=O)[C@H]2CC(=O)OCCCc2ccccc2)C(=O)C1 10120769 JXYISPFLWMNMOG-LJQANCHMSA-N 426.513 2.195 30 10 IEEE Cc1c(C(=O)OCC(C)C)sc2ncn([C@@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c12 16893204 SDKGRUXPFSWMAY-LBPRGKRZSA-N 442.501 2.384 30 10 IEEE CCc1cccc(CC)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 22562228 IFQKIYJNKCCNBG-UHFFFAOYSA-N 429.498 2.143 30 10 IEEE CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)NCCN1CCOCC1 22694550 YJAGYBOXALEISW-UHFFFAOYSA-O 429.610 2.352 30 10 IEEE COc1ccc(/C=C2\Oc3cc(OCC(=O)NCCC(=O)O)ccc3C2=O)c(OC)c1 33578041 DQJQPFPIEZWYBC-OCKHKDLRSA-N 427.409 2.290 30 10 IEEE Cc1cccc(C)c1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887914 XSMZJRIZCQJURA-UFFVCSGVSA-N 442.549 2.404 30 10 IEEE N#Cc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCc5ccccc5C4)cn3c2=O)c1 65198735 FYBGLUJHTVIRTB-UHFFFAOYSA-N 445.504 2.163 30 10 IEEE CCOc1c(Br)cc(/C=N\N(CC(=O)O)CC(=O)O)cc1Br 169880919 MKWGELRWFJFCAB-BNCCVWRVSA-N 438.072 2.415 30 10 IEEE O=C(O)CCc1nnc(S)n(/N=C\c2ccc(OC(=O)c3cccs3)cc2)c1=O 169883691 WZJVVDRMIBZRRZ-GRSHGNNSSA-N 430.467 2.107 30 10 IEEE CS(=O)(=O)N1CCCN(Cc2ccccc2C#N)CCNC(=O)C[C@H]1c1ccccc1 257186960 LAYSGLGQOSJKSU-QFIPXVFZSA-N 440.569 2.273 30 10 IEEE COc1cccc(CC(=O)N2CCc3ccc(NC(=O)[C@H](C)n4cnc(C#N)n4)cc32)c1 409636800 UQVPKSLOYWBITE-HNNXBMFYSA-N 430.468 2.490 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cccc(Cl)c1 441221697 AOVBJSMRTHMPQF-PSBWJHGTSA-N 433.892 2.012 30 10 IEEE COCc1noc(CN2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)n1 444435650 KIHVMALEAWDNRK-UHFFFAOYSA-N 434.456 2.233 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCc4ccnc(O)c4C3)n2C[C@H]2CCOC2)cc1 461609785 BJKSQOVWNXDJEW-QGZVFWFLSA-N 432.484 2.429 30 10 IEEE CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 475767304 HDSSLUQIQBAPTP-HTAPYJJXSA-N 426.517 2.281 30 10 IEEE CC(C)COc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 482017763 SNHOCIILZVHSNT-UHFFFAOYSA-N 428.514 2.135 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 500602921 BCGBKKPZTCGETD-OALUTQOASA-N 449.555 2.419 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(C)C 505693186 CTKXDNRWXBOZAG-UHFFFAOYSA-N 436.537 2.002 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCC(C)(C#N)CC1 507837718 MHUWTCUMXIKFEU-LJQANCHMSA-N 435.546 2.303 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c(F)c1 533636730 GJWCDBGOXJZWAZ-UHFFFAOYSA-N 437.518 2.101 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)n1 545462749 NXSXFFVNXXOHAA-UHFFFAOYSA-N 442.317 2.184 30 10 IEEE CN1CCN(c2ccc(NS(=O)(=O)Cc3cc(C#N)ccc3F)c(C(=O)O)c2)CC1 548537277 PZAQRQRQGLXMOM-UHFFFAOYSA-N 432.477 2.089 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 553289891 REVFPPNDJLNUCT-MJGOQNOKSA-N 441.551 2.115 30 10 IEEE CON[N+](=O)CC(=O)N1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C 585088867 DBUMAOCPSLOYKN-HXUWFJFHSA-N 433.510 2.364 30 10 IEEE Cn1c(=O)oc2ccc(S(=O)(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc21 585354532 YNUINDBDPIVTGM-UHFFFAOYSA-N 428.470 2.067 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 609865907 QBENRPMDPZWYSM-OAQYLSRUSA-N 449.573 2.051 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 685621008 IZWKMYXXYQXHMK-UHFFFAOYSA-N 432.571 2.494 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cccc(OCCOC)c2)cn1 726109463 BYUDTPHJWMRIJJ-GOSISDBHSA-N 445.545 2.196 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)[C@@H]1CCS(=O)(=O)C1 729335603 SBSXWFLCEFIPMK-PZJWPPBQSA-N 448.544 2.260 30 10 IEEE COC(=O)C1=C(C(=O)c2c(F)cccc2F)[C@@H](c2cnn3ccccc23)NC(=S)N1 729663593 VDVKIUTYNATUSN-MRXNPFEDSA-N 428.420 2.441 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)CCN1C1CC1 732707367 YYTLEUBYCUAHPD-FQEVSTJZSA-N 447.543 2.199 30 10 IEEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 733202468 RTSSYLBJPWLRFO-BLLLJJGKSA-N 441.550 2.249 30 10 IEEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc(C#N)cc1 740203902 HNMNGZLCUNEFEB-FQEVSTJZSA-N 430.482 2.301 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O)O[C@@H](C)C2 746234933 NOADFADQVFUSSM-HXNOTRDDSA-N 425.485 2.297 30 10 IEEE COc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N 746768708 RUIIOFMQQJVRIP-UHFFFAOYSA-N 428.514 2.173 30 10 IEEE C#CCN(CC#C)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC 752151734 ADBBVTRPMOJKCW-UHFFFAOYSA-N 428.558 2.114 30 10 IEEE N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)N1CCS(=O)(=O)CC1 763976774 GBNMOOPILVKRMT-FQEVSTJZSA-N 435.505 2.269 30 10 IEEE COC(=O)c1cc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)cn1C 765228693 NAAZBQSOTWBTRW-UHFFFAOYSA-N 429.248 2.222 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 779853750 AFJCNFFHDGFQIZ-PGMHBOJBSA-N 434.478 2.174 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 781648328 FGRIMJBWVFYKIE-HNNXBMFYSA-N 429.567 2.116 30 10 IEEE C=CCn1c(COc2ccccc2)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787246660 PWQKKAGBBWNVQT-UHFFFAOYSA-N 431.562 2.317 30 10 IEEE CSc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] 791309493 VGFVFDXNTRHIEV-UHFFFAOYSA-N 439.446 2.349 30 10 IEEE Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CCC1 798855799 IJLPCXCFWMZNKK-LPHOPBHVSA-N 428.514 2.398 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 800018257 CEFQOIMYVOWRGN-LJQANCHMSA-N 444.944 2.395 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H]2CCCO2)CCN1C1CC1 802679897 QVAAKAYSMZAJIA-OALUTQOASA-N 436.516 2.072 30 10 IEEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805589379 ZTACZNRMQYAPKN-YOEHRIQHSA-N 425.464 2.295 30 10 IEEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2cccc(COc3cccc(C#N)c3)c2)nn1 811183782 DTPMAOVBVZMPAH-NHCUHLMSSA-N 448.435 2.312 30 10 IEEE Cc1ccc(-n2nc(C)c(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C)cc1Cl 1134645769 VAWZJDKCMOTELN-HRAATJIYSA-N 446.960 2.390 30 10 IEEE C[C@]1(C2CCN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CC2)NC(=O)NC1=O 1148006039 IDVYTLMXYZOXFG-HSZRJFAPSA-N 432.484 2.016 30 10 IEEE Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)cc1S(=O)(=O)NCC#N 1156633194 WOFQDOJZQMFKEI-INIZCTEOSA-N 441.431 2.279 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1 1163532989 YJYIMWDBZOZKKK-IPMKNSEASA-N 430.501 2.414 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)n(C)c1 1163652013 HVUIANZTFXMEFN-IBGZPJMESA-N 443.573 2.278 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2c(O)cccc2C1 1170356502 BGSADVCYSMVTSC-SFHVURJKSA-N 427.526 2.430 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nc(C3CCC3)no2)CC1 1171781871 DLOGGIGVCGNCSB-CQSZACIVSA-N 443.529 2.282 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 1191669586 FWIFJJLJZBQZQZ-HNNXBMFYSA-N 428.514 2.172 30 10 IEEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1)C1CCOCC1 1253347295 BXSGOABXRGIWFN-BJLQDIEVSA-N 430.549 2.305 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 1270236405 UYCUWTCTZAMMOM-UHFFFAOYSA-N 435.347 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC(F)(F)F)C1 1286291396 XDUMFHNCTDWHEF-KBPBESRZSA-N 438.454 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNC(=O)c1cc[nH]n1 1286291796 YHPIJNPTCWNHSE-OAHLLOKOSA-N 430.472 2.211 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286351733 SVNJATCYTBTHFP-QGZVFWFLSA-N 433.553 2.187 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)CN1CCN(CC)CC1 1286380934 IWMCMEFSUYWIBR-IBGZPJMESA-N 428.556 2.339 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1286393782 SAYAZBPUYHYNID-GOSISDBHSA-N 449.646 2.145 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1286431451 NXBPWZVNHKSIHI-IBGZPJMESA-N 449.536 2.346 30 10 IEEE C#CCSCCn1c(N2CCN3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286512783 NYVUKDBMIJHIEE-SIKLNZKXSA-N 433.622 2.360 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286601315 UHHHBJJNBMEJOM-ZIAGYGMSSA-N 439.504 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(COC)CC1 1286780514 XBGAHYATFYZVSZ-UHFFFAOYSA-N 437.342 2.201 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286793774 LVOVIWSQMZSPKO-DLBZAZTESA-N 448.568 2.173 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CN(C)C)C1 1286798579 LNIYAMWPJPUEPS-KRWDZBQOSA-N 427.553 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286819426 JZQFEFIUOFEGGQ-UHFFFAOYSA-N 443.573 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1286821494 NKEANRAFRAHPGW-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCSC1 1293068048 ABIBDGJMYRDBOO-QFIPXVFZSA-N 426.590 2.292 30 10 IEEE Cn1ccnc1N1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1297414337 AJKRRQDESFHEBD-UHFFFAOYSA-N 443.349 2.276 30 10 IEEE COc1ccccc1-c1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 1298287378 AWNVHOYTIATHAJ-LBPRGKRZSA-N 443.510 2.391 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 1299770742 UEVJBAACSKVMHH-INIZCTEOSA-N 449.598 2.406 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1300402735 BGIZZDQVXJRUNO-UHFFFAOYSA-N 432.576 2.350 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300601823 KYCZQAOXXQLTFU-SJORKVTESA-N 449.552 2.298 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1300699334 BLCUYTTTXHQHSL-MRXNPFEDSA-N 434.466 2.389 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 1300879695 FASFNCLOUMVGJS-NVXWUHKLSA-N 437.470 2.401 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)OC 1301028939 CCVBUTXJWDGJOH-ZVDOUQERSA-N 441.532 2.253 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301061335 SLLRWGKISOYQDG-NSISKUIASA-N 426.945 2.455 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCN(C)C1 1301799432 DERQHBWUXAUZSH-DEOSSOPVSA-N 449.559 2.235 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1301884829 CWCWGFXMDOEWSE-OAQYLSRUSA-N 449.559 2.481 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1303011893 VBIKNSARAUODOG-MOPGFXCFSA-N 440.523 2.395 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCCC2)CC1 1312953674 OUBLNBSCLUTABQ-UHFFFAOYSA-N 435.506 2.003 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(SC)CCC1 1316207298 VWDHDMATUTULMO-FUHWJXTLSA-N 434.610 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)Cc2ccccc2C1 1358870358 LMFSJXRKQLFBHM-GOSISDBHSA-N 443.555 2.483 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1358918909 KUBUSGRHDADEEJ-RBUKOAKNSA-N 428.581 2.449 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1359030363 UTPGITGLALDNHF-RTWAWAEBSA-N 446.640 2.268 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCC2)CC1 1359030427 VZKZLNAOVDNSCC-IBGZPJMESA-N 426.540 2.408 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1359215462 BYWZIIFFBSPJBZ-FUHWJXTLSA-N 435.550 2.164 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1c(F)cc(F)c(F)c1F 1359467345 QWHBFTPZOBDEEA-UWVGGRQHSA-N 448.446 2.089 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1360612945 CKUVMWDIECSYFB-HNAYVOBHSA-N 430.578 2.026 30 10 IEEE C#CC[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)OC 1451177349 DHYOWPHUFBXASM-IRXDYDNUSA-N 446.504 2.036 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(C4(O)CCC4)CCC3)CC2)cc1 1455712117 OLBSXPFVSFDZFM-UHFFFAOYSA-N 431.558 2.160 30 10 IEEE C=CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 1455929607 UCSBPDWFZQPCQL-UHFFFAOYSA-N 431.352 2.243 30 10 IEEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1460780045 WDLPMPOBBGZHAQ-HOJAQTOUSA-N 445.608 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1c(F)cccc1NS(C)(=O)=O 1465794462 ISBIQHKLNLHXBD-MRXNPFEDSA-N 442.513 2.401 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)n[nH]2)c1C 1466081886 GRQSBHBTOJQPIF-HRAATJIYSA-N 425.581 2.174 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1Cc2cnccc2NC1=O 1471654901 NXLNCWVNOJQMNC-PMACEKPBSA-N 447.495 2.467 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](O)CC(C)(C)C3)nnc12 1472562494 JKYRHEQYXONRRQ-HNNXBMFYSA-N 441.557 2.332 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCCCCCO)CC2)c1C#N 1492728260 YIBMQYDENCIWBI-UHFFFAOYSA-N 426.569 2.024 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1501159209 DDQSHOUAEWAUOY-HXUWFJFHSA-N 440.548 2.363 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1502118895 FBHZYVFFCBIGIX-YGCDDZCOSA-N 440.504 2.378 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1507516671 LZYCYCTWLHIKKG-JKSUJKDBSA-N 427.484 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1507541046 FJHOBXAQUXEJRA-LJQANCHMSA-N 425.533 2.181 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1c(OC)cc(OC)cc1OC 1507542347 PONLYOVPZFAVFK-MRXNPFEDSA-N 441.532 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCC(=O)N(C)C 1507709456 UWAYZKZKNFNQGM-UHFFFAOYSA-N 434.338 2.272 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1507757403 TZFSPBUMAHWIJC-OAQYLSRUSA-N 432.521 2.358 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507954005 JWXSNYRAFHOUMQ-IBGZPJMESA-N 447.561 2.275 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508147010 GHEDUSBFSKQSPT-UHFFFAOYSA-N 438.598 2.393 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1509945683 OCHPFALUOKHITH-OAHLLOKOSA-N 427.534 2.171 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](C)C1 1512069018 ZVGHEMBRJGANER-ZWKOTPCHSA-N 436.564 2.446 30 10 IEEE CCCN(CC)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514697633 BQGHPPGHYPYXBR-MRXNPFEDSA-N 425.537 2.049 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1517039229 UKOFKYFONQLKQY-ZWKOTPCHSA-N 429.546 2.255 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)c1ccccc1 1526564561 BENNZSDUDWDEIK-NRFANRHFSA-N 441.553 2.126 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 1539109214 KYBYLKDMHANDQG-UHFFFAOYSA-N 426.521 2.227 30 10 IEEE C#CCCCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1539141308 UHGMBUGQFONLGU-VQIMIIECSA-N 429.487 2.416 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539202740 KSDIKZVYIHPGFF-JENIJYKNSA-N 449.621 2.259 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539221868 RSKLRSXFFMGDDL-LJQANCHMSA-N 443.573 2.403 30 10 IEEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539378344 YHXHUKHDAPTLCQ-GOSISDBHSA-N 431.562 2.049 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCN1CCOCC1 1539391201 AWLOKNMCBSUSOM-FQEVSTJZSA-N 427.524 2.283 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCSC2)n1 1539423697 CVIBGRHWGTWBRY-QZTJIDSGSA-N 430.578 2.018 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN1CCCO 1539533285 NQPDMSQNWQFCQY-WMZHIEFXSA-N 430.597 2.035 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1540007174 KJRJVIDCZUYFPF-UHFFFAOYSA-N 428.562 2.496 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1541184769 JIOUGXLXWLQZHN-SFHVURJKSA-N 436.626 2.258 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CCO1 1541744151 HPHZLLNHQJCZJX-KNQAVFIVSA-N 443.573 2.315 30 10 IEEE CC(C)OCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1541757664 GHESTXXESGTGLY-IEBWSBKVSA-N 440.552 2.321 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541803202 DRHKFGKCPZABRU-WMZOPIPTSA-N 446.577 2.209 30 10 IEEE Cc1cnn([C@@H]2CCCN(c3nnc(C(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)c1 1542819683 RFFYGBMCHVXMKM-DPPKGPFUSA-N 438.536 2.274 30 10 IEEE CCCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1547067639 KHJBUUQVHUWWMO-UHFFFAOYSA-N 431.500 2.375 30 10 IEEE CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1547515032 ORTZLAASDGUADV-ZBKJMMEJSA-N 436.516 2.335 30 10 IEEE CN(CCOc1ccccc1F)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554312016 IRYBYGNSRJHNIY-VZCXRCSSSA-N 440.479 2.336 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1556973635 PUWSFRPVKPPJPW-MSOLQXFVSA-N 430.505 2.216 30 10 IEEE C=CC[S@@](=O)(=NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1ccccc1 1558718462 IIIRKWQJTBRYLZ-ZLAAAENGSA-N 426.502 2.196 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1 1583396217 XWIPDUVZSMPDEG-OKILXGFUSA-N 444.289 2.496 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1nc2n(c1C#N)CCOC2 1586254585 PNQYVDWHSFYUKV-UHFFFAOYSA-N 439.291 2.012 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCOC1 1587567699 IXUAAKUEKVXEFY-WBVHZDCISA-N 430.578 2.431 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1588069907 UXRBJRILPQIATH-GVDBMIGSSA-N 448.520 2.023 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN(C(C)=O)C1 1588113764 RZAHIFNBANOENZ-IBGZPJMESA-N 433.512 2.048 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)CC 1588245963 XFTGCVAOARMCRT-AREMUKBSSA-N 448.615 2.267 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1588762034 DVAAGBLDVLCDGH-GOSISDBHSA-N 438.576 2.200 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C)CC1 1595551864 XFVISXXCQRLUCK-QGZVFWFLSA-N 446.552 2.045 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595866786 WQTWNSKBNMHSNG-UHFFFAOYSA-N 435.561 2.191 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1595884805 UBXGROJJABGZSG-QFBILLFUSA-N 428.624 2.495 30 10 IEEE Cc1nccc(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)n1 1611324725 IAMKSLHCQSLADM-UHFFFAOYSA-N 441.333 2.204 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@H]1C 1612836971 HCBIBVCQRRJOSM-DLBZAZTESA-N 431.562 2.360 30 10 IEEE C=CC[S@](=O)(=NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)c1ccccc1 1616818386 UDGLCJUUJOBUJC-SSEXGKCCSA-N 430.530 2.500 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1=O 1624817343 QMXDILCNZRSTIX-PMACEKPBSA-N 440.544 2.366 30 10 IEEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1636719920 YKRYIICTJYUINO-LBPRGKRZSA-N 433.559 2.080 30 10 IEEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CN(C)NC1=O 1637280401 BKQZNATXQFTIHM-YADHBBJMSA-N 448.523 2.321 30 10 IEEE CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(c2snc(C)c2C#N)CC1 1638054205 QXWXUSAEHVBNJG-UHFFFAOYSA-N 432.437 2.291 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1640376082 KRGIDNHHWONOCM-BBWFWOEESA-N 431.599 2.460 30 10 IEEE CN1CCN(c2ncc(Br)cc2NC(=O)C#Cc2ccc3c(c2)OCO3)CC1 1640790236 ZNKWVUUISVPYMW-UHFFFAOYSA-N 443.301 2.315 30 10 IEEE N#CCCN(C(=O)Cn1nnn(-c2ccc(Br)cc2)c1=O)c1ccccc1 1641424580 HZVUZOGNKGAONO-UHFFFAOYSA-N 427.262 2.138 30 10 IEEE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1642213629 XLPZUJZLAFEYSB-CRAIPNDOSA-N 429.542 2.339 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC4(CC3)NC(=O)N(C)C4=O)c2C#N)C1 1653144697 JZTJIHFGVXLGSE-ZDUSSCGKSA-N 429.546 2.089 30 10 IEEE COCc1ccc([C@@H]2COCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1 1655655390 MCDDHUSSWOZSDY-MOPGFXCFSA-N 444.557 2.270 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1659524925 OCFFVGCWYVEYOQ-IYBDPMFKSA-N 439.965 2.482 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1occc1C(=O)OC 1666116705 NRFZVCYWLJXRIF-UHFFFAOYSA-N 426.491 2.090 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)c1 1684831277 VGJJVSKEDIJUOG-UHFFFAOYSA-N 447.495 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCNC(=O)c1cccc(O)c1 1690051247 RTJPEKUTANOEJV-UHFFFAOYSA-N 442.523 2.253 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1690299629 ZWAJULHIHJVQFS-UHFFFAOYSA-N 445.593 2.198 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1690361465 VLMICVZQRFHAJA-UHFFFAOYSA-N 431.562 2.166 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C(CC)CC)N(C)C)CC1 1690364433 QJXZWYKCRIDJCP-FUHWJXTLSA-N 426.631 2.411 30 10 IEEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690455404 HPYWXGDRFWCULI-QGZVFWFLSA-N 428.924 2.102 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1csc(C)n1 1690677790 AMTGLCHVRLRBPX-WDYCEAGBSA-N 446.577 2.411 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690724561 RPTKIDWCXHOYSQ-ZWKOTPCHSA-N 438.594 2.252 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690749865 RSNZOCRCAXEILI-XGHQBKJUSA-N 435.594 2.092 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1692660753 FMDXLGYYHZMCPZ-WMZOPIPTSA-N 428.512 2.408 30 10 IEEE CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H](C)C1CCC1 1695546694 WBYZUIVCXAHHND-RLBWVDARSA-N 438.536 2.220 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1697090046 IEHSVTJMLHQMTO-UHFFFAOYSA-N 436.495 2.497 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)c1ccccc1 1698253579 AEMWZPKLSAXYEU-ZFMNYDKASA-N 440.548 2.256 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1705475169 PMCWMXINYBARKX-SFHVURJKSA-N 445.527 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1705477864 SVRHAQVQZWXVPS-FUHWJXTLSA-N 433.578 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705592581 MTOZSAVNZCROKF-KRWDZBQOSA-N 445.976 2.343 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1705604364 KZEWGMGIZCREAD-OAHLLOKOSA-N 439.969 2.422 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccs1)N1CCOCC1 1705631250 YAABZZGFYFKMRP-RTBURBONSA-N 445.589 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 1705709449 PNDBQCOQUZBCHR-UWJYYQICSA-N 446.573 2.416 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705906665 LUARRJSALYDDOL-IRXDYDNUSA-N 430.528 2.217 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCS[C@@H](C)C1 1705908151 JTTDQEMGNZGYJY-INIZCTEOSA-N 431.562 2.500 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN2CCCC2)CCOC1 1706678786 GTKCNOHEVNLYFM-AUSIDOKSSA-N 446.596 2.169 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1)N(C)C 1706783226 HHFNLDIYHAGSHC-SFHVURJKSA-N 425.581 2.314 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)COCCO2)cc1 1711878085 BAHCTJKEBFWUGT-JOCHJYFZSA-N 427.505 2.411 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1712372700 OJGQHFJPCDDOQA-UHFFFAOYSA-N 428.493 2.044 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC1CC1 1722275509 FLJDHGQOBIFFRM-CVEARBPZSA-N 431.562 2.183 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)CC)c1 1722307182 JWZVWGQJPCVTRH-DEOSSOPVSA-N 449.559 2.357 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1722365591 FTPKAIYZJXHRSQ-IBGZPJMESA-N 440.573 2.108 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccnc1C 1722430233 BFOILPAJKSKCJJ-UHFFFAOYSA-N 442.527 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CCC)OC)CC1 1722449787 ZKIPONUZKNGCRL-IBGZPJMESA-N 444.605 2.415 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)s1 1726246210 KZLYSTWDWGZQJJ-QGZVFWFLSA-N 436.545 2.311 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)C1 1726461425 CCRMKLZICNRDAL-FOUBCARRSA-N 431.560 2.429 30 10 IEEE C[C@@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCO1 1726469465 FNJSLNCBNWUZRH-QZTJIDSGSA-N 438.532 2.212 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1740626445 USXKUDYAVRFZTM-IBGZPJMESA-N 441.582 2.195 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(C)c1 1740668272 JFHJBQQVAUVQGE-UHFFFAOYSA-N 434.500 2.204 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740769027 YVTVSMMNCJRPFY-GBPOLFSSSA-N 448.564 2.299 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1740868082 DFKBYQRKRAEDCH-INIZCTEOSA-N 436.557 2.320 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740902219 CTNTUAFGKBEVJZ-KRWDZBQOSA-N 449.481 2.402 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1741088838 QTHNGYVVZZGOLJ-LJQANCHMSA-N 438.532 2.260 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1748707878 MRGCEHJINXFPGP-HXUWFJFHSA-N 435.576 2.277 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748812150 QYGSRQCHWHYZKZ-CYBMUJFWSA-N 447.508 2.195 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748821675 SISXYNAJQGEJNE-LJQANCHMSA-N 444.605 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(C)=O)c1 1748867418 FRBZKSRFNHBZEC-XMMPIXPASA-N 435.528 2.400 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C(C)C 1748876935 ZHNBURRFXHCYKN-UHFFFAOYSA-N 431.548 2.114 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1749129901 HZPAYMBCOUBVNQ-WIRSXHRWSA-N 438.594 2.167 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)NC(C)C)CC1 1749293886 IBDOTYQLOCUXQC-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C)C(C)(C)C2)CC1 1749316698 IHGPWICWUHLTDW-PMACEKPBSA-N 432.613 2.185 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1749550990 OGKBMHIWNWLNQK-KRWDZBQOSA-N 449.602 2.308 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1749678136 XAVYUNMVEAWZMA-FQEVSTJZSA-N 449.559 2.096 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(C)o1 1749721965 XQXXSPVXEDZYJR-KRWDZBQOSA-N 447.561 2.358 30 10 IEEE COCCN(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1749772117 DZBNNAOMZJRJRP-QGZVFWFLSA-N 440.321 2.056 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N2CCCC2)CCOCC1 1750118254 PEGFLBJXOKARQA-UFYCRDLUSA-N 446.596 2.243 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@H]2C1 1760130546 LNINWNLUOQTYLY-QGZVFWFLSA-N 447.381 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOCC2(CC2)C1 1760552954 HCUMSNMRZQXVEE-UHFFFAOYSA-N 437.953 2.211 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC 1763439235 DYXCYRQLHPEPTA-UZLBHIALSA-N 440.548 2.349 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N1CCOCC1 1763744751 FDYDCPBYYDZGQD-RTBURBONSA-N 438.580 2.106 30 10 IEEE CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N1CCCC1 1764253887 AUSZLJSWHLRVOE-MOPGFXCFSA-N 434.610 2.185 30 10 IEEE CCN(c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1766500430 FFGPVJOGSUUMPG-HNENSFHCSA-N 427.534 2.149 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1768264359 DFEIXUVKNGXMDZ-INIZCTEOSA-N 448.618 2.430 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1771470839 UOHRMJHJWHKCJM-KRWDZBQOSA-N 449.602 2.495 30 10 IEEE C[C@H]1C[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)C1 1851771987 AYVPZCTVWYWLBY-PKOBYXMFSA-N 443.548 2.264 30 10 IEEE N#Cc1ccc(F)c(C(=O)O[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c1F 1852528661 RJLMSKYXLDQRPU-WBVHZDCISA-N 425.391 2.005 30 10 IEEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C2)CC1 1855837197 HAHKWTBCXQIDLB-WBVHZDCISA-N 432.908 2.127 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)[C@@H](C)C2=O)cc1C#N 1857098398 KQXXULMXMSOREW-ZDUSSCGKSA-N 433.436 2.207 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862432127 WZOHXQPRLYDELO-SFHVURJKSA-N 430.844 2.466 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(CCC)nn2C 1864320232 NMMDTTMIVSIXPI-GOSISDBHSA-N 426.517 2.395 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CSc1ncccn1 1870304827 KEHGOBQMSFGBAE-UHFFFAOYSA-N 430.515 2.294 30 10 IEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870385343 SUJNMQFKZCRMIB-QGZVFWFLSA-N 431.558 2.341 30 10 IEEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870558107 UQJBGFAKAGQQSI-UHFFFAOYSA-N 444.484 2.332 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870710885 HDPNFLLGSRKQQA-UHFFFAOYSA-N 438.528 2.024 30 10 IEEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871010561 FGQNBUKDSOSMRV-UHFFFAOYSA-N 444.513 2.478 30 10 IEEE COc1ccccc1OCC#CCNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCCC3 1889450409 ZDZJCVQGNVWSGE-INIZCTEOSA-N 439.537 2.366 30 10 IEEE Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCC#CCN2CCOCC2)cc1 1890368239 CXNIXUFUKSMXES-DEOSSOPVSA-N 431.536 2.014 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CC=C(c2cncc(C#N)c2)CC1 1891891552 QZEOYUXDVDCFNT-IBGZPJMESA-N 441.513 2.027 30 10 IEEE C#CC[C@H]1CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCO1 2019034579 ZAUBSQHWOYTNNW-GBXCKJPGSA-N 427.545 2.407 30 10 IEEE C=C(Br)CS(=O)(=O)Nc1n[nH]c([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2065564653 QFLFBGAQXXMBRI-JTQLQIEISA-N 436.332 2.179 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2068909629 ZUJDOOOBWAMGMV-KRWDZBQOSA-N 435.374 2.328 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2244372471 COHOURLPEDFACZ-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2247777662 PVBXYOABVKBHJY-LBPRGKRZSA-N 439.343 2.113 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254802881 YRAJXFXWYWQXGW-RANZSIQMSA-N 431.342 2.473 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2255368142 HDIKFNRGJXUKNA-UHFFFAOYSA-N 432.374 2.028 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255544352 YELPIZXHAXKNRA-ZDUSSCGKSA-N 436.362 2.141 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255626165 BTRMTGQQJZVLEY-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630088 FMKJTIGQBHMPDD-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2255711385 YPOALZYZHZVMNO-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830549 HXZLPOYFRHFCEC-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)s2)OC1(C)C 2255878806 FRXUEJIFFIHFLQ-GOSISDBHSA-N 441.406 2.251 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256626392 JPPJGEKWRLRPPN-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CO[C@](C)(CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267188369 LCNAQBYVUBOJPJ-HSZRJFAPSA-N 443.353 2.071 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267198202 VEBSATYFFORAET-ZFWWWQNUSA-N 448.373 2.378 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267510329 KARGPJANKPGBPV-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 2267529594 NDBYWOVGQMSFHZ-XMMPIXPASA-N 438.381 2.422 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267536225 BBTAHFZTCAEYSW-HOTGVXAUSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267590576 QQGSTDZVDRTFTR-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303623375 ZORGKLPJNOEKKV-INIZCTEOSA-N 432.351 2.140 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2312855112 YNVRXQLALCDPPS-MCIONIFRSA-N 449.382 2.428 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccn1 2328988766 NMSWRSCVZWBKGO-MRXNPFEDSA-N 443.577 2.240 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(N(CC)CC)cc1 2330742632 GTHGPSPGARWMGN-UHFFFAOYSA-N 445.593 2.261 30 10 IEEE Cn1nc(I)cc1[C@H](O)C(=O)C#Cc1ccccc1Br 2360951293 LGJUCHKFNGNJLI-AWEZNQCLSA-N 445.054 2.441 30 10 IEEE COc1ccc(NC(=O)CCSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1 20921267 OSXCOLVQHHTBHM-UFFVCSGVSA-N 443.537 2.345 30 10 IEEE CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](OS(C)(=O)=O)[C@H](O)CO 72400168 DIGKQJJVWFSJQE-UAFMIMERSA-N 426.616 2.497 30 10 IEEE in-vitro C#CCn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(C)(=O)=O)ccc21 137863989 BTIGRBSYSSLDBQ-MRCUWXFGSA-N 428.491 2.138 30 10 IEEE COc1ccccc1-n1nc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c(O)cc1=O 170571704 BORDQMMDNQLSIQ-UHFFFAOYSA-N 428.408 2.256 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1 443467348 RABHBABIDINXMK-AWEZNQCLSA-N 426.336 2.344 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 446640851 ZKMNUALSLBACRB-KKXNLOMOSA-N 439.491 2.426 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CNC(=O)c2cccc(Br)c2)cn1 461759279 YXIMPXAFKUCGQJ-UHFFFAOYSA-N 425.246 2.270 30 10 IEEE Cc1c(Cl)cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1[N+](=O)[O-] 465501324 UHOVRZHRJLHTSP-NSHDSACASA-N 436.881 2.118 30 10 IEEE N#Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3I)CC2)ccn1 475018083 YUBHAVOVFHUJQS-UHFFFAOYSA-N 446.248 2.156 30 10 IEEE CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)Cc1ccc(C#N)cc1F 478159737 YTZVRKDHBGCVPV-UHFFFAOYSA-N 432.477 2.446 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(F)cccc2CC)c1=O 478734026 MYKJDXDOSVDGHN-MRXNPFEDSA-N 426.513 2.296 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 480006508 HIMQQJWWRPDMJS-INIZCTEOSA-N 434.475 2.328 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508813999 RQADJRJODSLGTK-GOSISDBHSA-N 435.488 2.102 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508831959 HYGHKZLCNXSBJR-LJQANCHMSA-N 425.533 2.139 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 508938066 GJHPUQOCCUSKSL-GOSISDBHSA-N 447.495 2.344 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 509189369 CRIDEMHTVISLGP-ZYHUDNBSSA-N 425.864 2.401 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)ccc1F 533544871 OWRMKNNFVGAPMT-MRXNPFEDSA-N 426.513 2.266 30 10 IEEE CCCCn1c(N)c(N(C(=O)CN(C[C@H](C)C#N)C2CC2)C2CCCC2)c(O)nc1=O 533599420 RDJZDTWWMAJPLI-OAHLLOKOSA-N 430.553 2.231 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](CO)c2cccc(Br)c2)cc1 537790384 DILLQJDLKBIBSI-QGZVFWFLSA-N 437.315 2.085 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 555257545 UNYQEEKSYLQDML-UHFFFAOYSA-N 447.543 2.296 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@H](CC)C(=O)OCC(C)C)nc1C 586304630 QBDGSDHFGQWZQW-QYSRSOONSA-N 430.548 2.459 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCOC1 676727487 ULXIPSGYWBYHGL-AWEZNQCLSA-N 428.941 2.472 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(C)n(CC)c3C)c2=O)cn1 728557819 RSSRLJWRLWAJKL-UHFFFAOYSA-N 449.580 2.426 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 730546473 XTHXYDQDTUAUKN-JOCHJYFZSA-N 443.906 2.493 30 10 IEEE Cc1cccc(Oc2ccccc2NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 737304670 ABBOBZOCYMSUNT-QZQOTICOSA-N 434.452 2.368 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2cccc(-n3cncn3)c2)c1 754772590 GBKZKXHYXAIMQM-UHFFFAOYSA-N 432.259 2.020 30 10 IEEE C#CC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757426479 GIQFTNNGDUKGSW-VXKWHMMOSA-N 449.507 2.048 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCCO3)c2=O)cn1 758098570 SFPLXCFSAOAJAY-QGZVFWFLSA-N 442.585 2.204 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cc(C)cc(C)c2)C1 760300467 HXNAGBGOSXYFOM-IRXDYDNUSA-N 431.562 2.175 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)OCc2noc(-c3scnc3C)n2)ccc1F 761075437 XEKJLVQTRQILCS-UHFFFAOYSA-N 438.462 2.462 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 776817244 DSCVYMATLJGKHF-UHFFFAOYSA-N 426.517 2.489 30 10 IEEE Cn1ncc(-c2csc(=Nc3ccccn3)n2N=Cc2ccc(S(C)(=O)=O)cc2)n1 789991841 QARFRSPSFGWWJR-UHFFFAOYSA-N 439.526 2.258 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(C)CC2)cn1 794448089 DSBWJWPVCDBHMT-MRXNPFEDSA-N 433.578 2.280 30 10 IEEE C[C@@H](C(=O)OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)n1cnc(C#N)n1 798747814 NWVDUJWYSXEDMZ-CVEARBPZSA-N 446.467 2.384 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 803627538 PLALNPUTGRGQAO-HKUYNNGSSA-N 428.533 2.479 30 10 IEEE C[C@H]1CN(Cc2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 805843103 CDQWIQLHDRFYMS-IRXDYDNUSA-N 427.526 2.427 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 806458421 YDTRSJLNXVSAIF-HFTRVMKXSA-N 433.486 2.322 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 812195613 CYJWSNYDAZBNGC-XUWVNRHRSA-N 437.541 2.443 30 10 IEEE Cc1ccc(C(=O)NCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc1C 816410401 YMPDKGUTRVEVOF-UHFFFAOYSA-N 431.290 2.216 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(-c3ccc(F)cc3)c2=O)cn1 839202909 JRNLKCWAUJXKEB-UHFFFAOYSA-N 448.454 2.297 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 858078997 WZPVCZQMPSTEGQ-KXBFYZLASA-N 440.525 2.177 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1 1084146899 CEWQOKSVRAMXMI-UHFFFAOYSA-N 442.501 2.439 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)c1 1084183300 AABUWMFXSAZBHK-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE C#CCCN1CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1136498818 AHXURWQXRPQKPB-NRFANRHFSA-N 428.577 2.179 30 10 IEEE N#Cc1ccc2c(c1)CCN2C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1142045895 LPSOMFOSNWOELK-UHFFFAOYSA-N 441.509 2.367 30 10 IEEE COc1ccc(C2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1144867663 AZGSMVCTWGPHIK-HNNXBMFYSA-N 442.541 2.314 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 1150625869 HFAXFAOFKNBTPF-SUMWQHHRSA-N 438.502 2.149 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 1152372433 YWKHXWOSWHEAIB-OALUTQOASA-N 447.557 2.212 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3occc3[C@H]2C(=O)OCC)s1 1166768645 XPDAVUXQUXGCNK-SFHVURJKSA-N 438.527 2.037 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1171843305 HBSZMXVHVWLIET-KRWDZBQOSA-N 441.419 2.152 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 1171919708 GWYZRKLKMAWMQG-UHFFFAOYSA-N 437.424 2.294 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1191583496 YOSMJJDBRSAMDZ-WMZOPIPTSA-N 428.576 2.039 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1286296929 STRGNRSYOBMGCY-HNAYVOBHSA-N 430.530 2.073 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1286373711 IDQUDUDKURZNMR-KRWDZBQOSA-N 432.569 2.378 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286386174 VZYUKYPFTYVWMX-MOPGFXCFSA-N 435.638 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1([S@](C)=O)CCC1 1286415802 GUDFSHFOCWUEEC-PMERELPUSA-N 426.542 2.240 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1286436099 VAIKUUPLPYZZIE-UHFFFAOYSA-N 443.573 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1286495472 WVTMHQFUGOHIOG-WSTZPKSXSA-N 429.565 2.301 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286505278 ZJQOOAFMGDPKGJ-UYAOXDASSA-N 426.590 2.254 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C 1286605260 UEHBIZKNJMFRME-CYBMUJFWSA-N 437.342 2.295 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1286693624 WOMLNTIUIIYGQV-UHFFFAOYSA-N 430.940 2.496 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC(C)C)C1 1286808963 FPCGOLGUNKLPTA-FXAWDEMLSA-N 441.532 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nncn2C)C1 1286813575 XQHQWZJHASENDM-QGZVFWFLSA-N 429.912 2.469 30 10 IEEE CC[C@]1(C)CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1292366490 XUVFQOFPEAXJNZ-PRGIXHJTSA-N 444.536 2.051 30 10 IEEE CCN(CC1CCC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1295711314 HKFKYCPBGOFWBS-DQRAZIAOSA-N 435.532 2.417 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)s1 1296332874 DCWSPBHDANNVEZ-YLJYHZDGSA-N 438.546 2.176 30 10 IEEE C=CCOC[C@@H](NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)C(=O)OC 1297029390 GOOYTFSXFDYPSQ-PXAZEXFGSA-N 432.420 2.297 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1297206328 AWFGFAMSQRRZNN-CRAIPNDOSA-N 430.475 2.208 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1300499039 OUMOQVMHTMYBTH-PMACEKPBSA-N 444.532 2.327 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300506113 MRBFWCAYHPBKKI-VQTJNVASSA-N 428.558 2.421 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)c2ncc(C)s2)CC1 1300683752 SHPAPNURUYXTEY-SJLPKXTDSA-N 432.594 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(OCC)CCCC2)CC1 1300731090 BIMBKIZFKJECJV-LJQANCHMSA-N 429.565 2.445 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1300756517 PDTUAXKZBVWOMZ-MSOLQXFVSA-N 429.521 2.313 30 10 IEEE CO[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1300773637 GIVQLLDFISYWEM-UNEBPCJRSA-N 428.537 2.152 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1301294048 LFZHZBOGOFQCFZ-AWEZNQCLSA-N 427.571 2.106 30 10 IEEE N#CC1CCN(c2nnc(CCCc3ccccc3)n2CCC(=O)N2CCOCC2)CC1 1303001469 ARNHRWHWUWITHT-UHFFFAOYSA-N 436.560 2.442 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)CCS2(=O)=O 1304738700 WXPRWOGIJZCCMA-LASWEOPPSA-N 445.324 2.494 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCN1CCOC 1306620908 KTRRPRNGEOQLGN-GOSISDBHSA-N 438.536 2.129 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 1307134805 QIEBKYWNEVJDAY-UHFFFAOYSA-N 434.499 2.452 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1314455522 MHBASCMSAOKCMI-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CCCS1 1314701463 HRAGALIOQFJFFC-JOCHJYFZSA-N 440.573 2.397 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C[C@H]1O 1315108673 KRNMRDOYULGOKA-IAGOWNOFSA-N 431.443 2.222 30 10 IEEE COCC[C@](C)(O)Cn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315979929 ZQDOMFYDHAABPO-QHCPKHFHSA-N 440.548 2.333 30 10 IEEE C#CCN(C(=O)c1nn(-c2ccccc2F)cc1Br)[C@@H]1CCS(=O)(=O)C1 1318303271 ZTUXIGLHVLNUPS-GFCCVEGCSA-N 440.294 2.036 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)nn1 1354619783 HYOVJVKWMZCKLT-UHFFFAOYSA-N 431.562 2.298 30 10 IEEE C#CCCCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1358918114 LBNLHFLUQUUJMA-QHCPKHFHSA-N 439.564 2.159 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358920353 XQHGMKOZULTTCV-QFBILLFUSA-N 449.552 2.489 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1358934396 ZVVXYHRWBVDGAU-UGKGYDQZSA-N 434.544 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1cccn1 1358976696 NOMUWSQJVRRLAA-UHFFFAOYSA-N 440.511 2.035 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1359039177 YWZDNDJMSKGILQ-JOCHJYFZSA-N 447.587 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359331028 KSPCMVOZMSZHQO-ZWKOTPCHSA-N 431.562 2.112 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](OC)C1 1359334230 XQQBTOYUTGPHTH-SFHVURJKSA-N 434.562 2.094 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)C1 1359417577 ABNMNNNWFAXDMI-IBGZPJMESA-N 438.923 2.472 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)c1 1450008428 UZUBEMBGORNIKC-UHFFFAOYSA-N 436.511 2.116 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1 1451371548 PSVNLDDFCOYMBI-NRFANRHFSA-N 428.441 2.373 30 10 IEEE COC(=O)c1cc(Br)cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1C 1451726150 LWBUMTTVHAIWQL-WUKNDPDISA-N 436.262 2.399 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(n2nncc2I)CC1 1470007226 IPTKDFHWCXZCRO-IUODEOHRSA-N 445.305 2.210 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OC1CCCC1 1507712133 CRBYCPIIEJONRV-LJQANCHMSA-N 438.532 2.080 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN(C)C(C)C)CC1 1507741254 OEYHXQDGOMAADL-UHFFFAOYSA-N 432.638 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1507803532 HRJBOHHGKZNEDK-CTNGQTDRSA-N 439.564 2.097 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507839570 GQLYEGUBKJFFNB-UHFFFAOYSA-N 435.532 2.433 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1507987201 UALFMUUSYSDUSI-GASCZTMLSA-N 427.571 2.106 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508111514 GQVIGVCIRPSHGM-SJORKVTESA-N 449.552 2.147 30 10 IEEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1519018606 FCCIKCDDOAPVCF-WOJBJXKFSA-N 438.532 2.495 30 10 IEEE C=CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@@H]1CCS(=O)(=O)C1 1520935407 NWTMDDAEKXITFI-CQSZACIVSA-N 429.329 2.449 30 10 IEEE COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1526935711 QFUQBKQXZBNQFS-AWEZNQCLSA-N 430.461 2.345 30 10 IEEE Cc1nc(SCC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c(C#N)c(C)c1C 1534677896 KBYIOVQPBUJKTO-LJQANCHMSA-N 425.558 2.383 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1=O 1535928018 BUMRNDAFXLQHSI-SFHVURJKSA-N 430.386 2.475 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1538972773 LMBRSRIVEHODAT-MNOVXSKESA-N 446.396 2.219 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1539153997 LRWSUEGITDIOBD-LJQANCHMSA-N 443.495 2.160 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)Nc1ccc(F)cc1 1539194237 UEGPSWPUZWSFDL-UHFFFAOYSA-N 426.477 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCCC1=O 1539299887 OROLEIMEPMSHDD-XMMPIXPASA-N 441.576 2.184 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)CCC)CC1 1539475408 FFZGSRIBPCNHSN-DEOSSOPVSA-N 439.560 2.471 30 10 IEEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1539497264 KVUXDXDSBRWBGF-UHFFFAOYSA-N 426.590 2.276 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCOC2=O)CCOC1 1541728461 JQNIKNOKOUDTSA-YADHBBJMSA-N 446.552 2.291 30 10 IEEE N#Cc1sc(NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)nc1Cl 1544537128 UCXJGRAGAKLRQY-OQHXTRMZSA-N 429.889 2.410 30 10 IEEE COc1ccc(COCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1554953253 MWZHKPXFRQCUAL-OAQYLSRUSA-N 425.468 2.346 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1555003576 CFMSCDVWRKWQIV-QGZVFWFLSA-N 426.374 2.074 30 10 IEEE COC1CCN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CC1 1555159018 CUWKSARSQGSMCZ-UHFFFAOYSA-N 443.596 2.030 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1555196494 AMSRNXSFLMQSRW-HMXCVIKNSA-N 441.532 2.254 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC(C)(C)C1 1555628450 HOTHUIPNWPTVSS-SFHVURJKSA-N 434.585 2.243 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)cc1 1555792217 IAKYBSZAYMLYFO-GOSISDBHSA-N 429.546 2.168 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCOCC(F)F)CC2)nc1 1555991416 ONEYOENZUJINQA-MRXNPFEDSA-N 433.463 2.005 30 10 IEEE C=C[C@@H](C)ONC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1557326425 PFLXHQKLMBUEFT-LLVKDONJSA-N 430.299 2.371 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@@H](CC#N)C3)cc2)C[C@@H](C)O1 1559991784 GXIJUNCQFSIJAF-KSZLIROESA-N 434.562 2.049 30 10 IEEE Nc1noc2cc(CNC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)ccc12 1570503265 KCZJVHMEOBEJKQ-UHFFFAOYSA-N 441.513 2.325 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1587945045 GNPMKLIHWLWIQI-UHFFFAOYSA-N 439.438 2.490 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1587990653 ZUNIKVMJWNLCTP-NRFANRHFSA-N 441.601 2.162 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1588049528 HYCYRJWVLUKMSU-KRWDZBQOSA-N 431.562 2.107 30 10 IEEE CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)(C(F)(F)F)CC1 1588191717 GSYPCDDBXKROLQ-UHFFFAOYSA-N 432.468 2.025 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 1588199150 HRMIBJJJNXARCV-UHFFFAOYSA-N 443.491 2.129 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(OC)CCOC2)CC1 1588780797 WVKDQGXCYNCJOA-OAQYLSRUSA-N 433.915 2.298 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H]2CCOC2)CC1 1588955349 VSPQUEFYBNHNEJ-QGZVFWFLSA-N 427.574 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)C1 1595729720 OCZMZZZARQKCBR-VQIMIIECSA-N 427.505 2.050 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1611498725 GWAMYZYQKZLTKX-OAHLLOKOSA-N 428.500 2.302 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1612144522 KBOJOVNJJWWJCX-VQTJNVASSA-N 427.505 2.090 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1613122764 DTGAQIADQMXVJG-SBUREZEXSA-N 440.548 2.194 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1615906043 YFKGOAQNKJLNRQ-DLBZAZTESA-N 438.488 2.093 30 10 IEEE CN(C)S(=O)(=O)CCn1c(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)nnc1C(C)(C)C 1617714198 CWWHOCLRUFDROA-MSOLQXFVSA-N 430.578 2.211 30 10 IEEE COCC[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619806065 YZTBACUBUNKCEE-UGNPLGLKSA-N 442.564 2.400 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1scnc1C 1620020150 VLPXWUBGGRBCMO-FUHWJXTLSA-N 445.593 2.186 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC(C)(C)C1 1620102514 OLFAJRSRXVOXOH-YDHSSHFGSA-N 446.596 2.243 30 10 IEEE Cn1cc(CN(CCn2ccnc2)C(=O)COc2ccc(C#N)c(Br)c2)cn1 1623741089 HFSAYGCCJIILDF-UHFFFAOYSA-N 443.305 2.359 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)nn1 1624489472 OKUCYYRKEHUPJP-IBGZPJMESA-N 440.504 2.278 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3nc(O)c(C#N)cc3C)C2)cc1 1626471635 XSNBQUGFECLFTA-INIZCTEOSA-N 428.514 2.106 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 1630737757 YVDPQXDDNGLYBT-UHFFFAOYSA-N 426.278 2.475 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2cn3c(n2)SCC3)C1 1633371303 ZVUHZRRYBCBLFQ-UHFFFAOYSA-N 432.347 2.418 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)n1 1634609441 VPBWHAJUMDLYGD-SFHVURJKSA-N 441.536 2.342 30 10 IEEE CN(c1cccc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1)S(C)(=O)=O 1638946205 ZGNUHYOKVQFEKG-HXUWFJFHSA-N 428.514 2.237 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1S(=O)(=O)NCC#N 1639265581 SIEQTLBHTLWNFZ-FQEVSTJZSA-N 437.525 2.019 30 10 IEEE CCS(=O)(=O)Cc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1639282954 HVVRDCHYFFYBDB-CQSZACIVSA-N 449.554 2.077 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)CCC2=O)cn1 1639957692 GSWDMSBNXKPOCU-PXNSSMCTSA-N 440.935 2.226 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 1644587467 MAUYIDPNCFUHOF-RTBURBONSA-N 427.505 2.392 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CSc2ncc(CO)n2Cc2cccc(F)c2)CC1 1656615424 FSVICKVABMBGFN-FQEVSTJZSA-N 445.564 2.347 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCOCC3(CCOCC3)C2)cc1Br 1661357751 GSPWOCLVQCYMRE-UHFFFAOYSA-N 433.299 2.278 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1689985810 CAFJPODRZSUCGL-GOSISDBHSA-N 447.580 2.443 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689996589 KJVHXMMRCCSWCO-BRWVUGGUSA-N 430.530 2.073 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1689996904 QVNXPQGTMVVALD-YXJHDRRASA-N 436.484 2.153 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1689998123 BWORIHUQEWSUMA-VQTJNVASSA-N 446.548 2.447 30 10 IEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C)C1 1690220776 ABCKKTNVTOGTPB-CYBMUJFWSA-N 441.351 2.482 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690510988 LUEJWQMLHIXENU-QFBILLFUSA-N 429.496 2.304 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1690515499 NXOOMXLIZVBSIK-ZDUSSCGKSA-N 427.958 2.415 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1COC(C)(C)OC1 1690632688 KXYQOGSNANMBQQ-UHFFFAOYSA-N 449.577 2.217 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690660683 MPPASIAONVFKNV-CABCVRRESA-N 446.939 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690724645 TVQDRISHKYQEPW-ROUUACIJSA-N 447.561 2.173 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1690993192 GSFSXKCEAAEJDR-LSDHHAIUSA-N 429.550 2.208 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1692527731 FSOUTUNXSSUWPU-YHYVQYDKSA-N 430.553 2.275 30 10 IEEE C[C@@](O)(CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1692801393 BCDXIBBLARUBIA-FGZHOGPDSA-N 426.496 2.140 30 10 IEEE Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1693098961 DMFCQEZEMYZHPJ-FQEVSTJZSA-N 436.541 2.440 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(=O)OC)C2)c1=O 1695789953 ANQYQIQSHHMRNL-IBGZPJMESA-N 432.484 2.046 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cscc1C 1696328753 FJLVYGIWKGSDHQ-UHFFFAOYSA-N 440.577 2.473 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1698075412 AGRUPRPSZMSOKM-HXUWFJFHSA-N 445.527 2.343 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1698180621 RRSBTUPVTNLKDK-IBGZPJMESA-N 436.516 2.394 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N2CCOCC2)c1 1705505594 QOSBRXIJKTZVOT-GOSISDBHSA-N 447.543 2.050 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1705511702 CWWDAYWBSPPLAN-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE C#CCCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705521908 PHGRUNGLCKRGSU-GHTZIAJQSA-N 438.594 2.136 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705538619 VIGQSCVPMDEDMH-UHFFFAOYSA-N 449.602 2.087 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@H]1OC 1705548138 XHGFOKZEAOHVNY-IAGOWNOFSA-N 430.578 2.431 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1705566127 YPGHMDPIRZNFLS-IBGZPJMESA-N 426.542 2.227 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CN(CC)CC)c2)CC1 1705637897 QCRSSOAUQJNJRD-UHFFFAOYSA-N 444.587 2.380 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705812384 YHRGSKJFFIJCSX-MGPUTAFESA-N 437.541 2.092 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705885778 LWZKJZDFSBFRLV-HXUWFJFHSA-N 449.964 2.063 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1705901366 JHNUWLCDOAWNPN-UHFFFAOYSA-N 442.539 2.318 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)C1 1705904565 RTXVCEYVDBECCG-PGRDOPGGSA-N 427.505 2.098 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1705911137 ZPEPNMPBGBZCOS-LJQANCHMSA-N 440.548 2.134 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCOC2)C1 1705929452 QYTBCIPCTNBPGF-IAGOWNOFSA-N 431.562 2.478 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@@H](C(F)(F)F)O1 1708234378 MJSCQKYSJWDKLL-BBRMVZONSA-N 437.422 2.410 30 10 IEEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1710102743 HTJBPOSQXUWIIK-SFHVURJKSA-N 428.562 2.335 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1711175260 MUUIVEPUTALGNS-UHFFFAOYSA-N 444.446 2.031 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F 1711377822 AASATVSCUZTQFJ-UHFFFAOYSA-N 437.479 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1722278956 NTAHLTPVASLQKY-CYBMUJFWSA-N 431.342 2.265 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOC(C)(C)C 1722429690 VIQSBHDLJURWQP-UHFFFAOYSA-N 441.580 2.353 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1722595680 XYJQFTJEAKHHAT-FQEVSTJZSA-N 449.559 2.334 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722618670 UOXFMZLZTGKAEN-IAGOWNOFSA-N 434.566 2.297 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722675835 SSWJMKNLBZBYHG-RTBURBONSA-N 430.597 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722729467 LLUBCJVQMFTXGW-SFHVURJKSA-N 433.578 2.116 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726507765 SVJZJQZJGHUPIW-QZFCYZPVSA-N 428.537 2.323 30 10 IEEE CCOC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1728728882 KGBDVLCUPDMGHZ-SFHVURJKSA-N 425.537 2.190 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)OC)CC2)C1 1728934581 DMEKSZYDYWQMSV-UHFFFAOYSA-N 439.516 2.136 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1729163449 VKXMYZMMEIWUGE-UHFFFAOYSA-N 438.454 2.450 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSCC1 1729212772 DDICSRVYNCOYQX-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE COCC[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730657837 QTZIZGCHBROVGL-YGCDDZCOSA-N 428.537 2.325 30 10 IEEE COCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1730923668 YNPTYKXGWZIEHT-OAQYLSRUSA-N 430.484 2.252 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596336 BKIFYGOOYZASMU-ZACQAIPSSA-N 430.553 2.164 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nnc(CC)s2)CC1 1740697088 QWRZSNPAKUCWPO-UHFFFAOYSA-N 425.537 2.225 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(CC)(CC)SC)CC1 1740700727 GBMNERMAZIHYSL-UHFFFAOYSA-N 448.637 2.304 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1740810587 WZJKREMSBXEZIT-SFHVURJKSA-N 430.940 2.455 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C 1740940761 RQOJRJYPCQCITK-QHCPKHFHSA-N 440.548 2.238 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Cl)=C(Cl)C1 1740950884 LOKXDGHKHFMGDM-UHFFFAOYSA-N 429.352 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1740986089 RTWNONJSWIRXOZ-QGZVFWFLSA-N 449.552 2.150 30 10 IEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1741630947 NMZPFUFHQZYJGS-HSZRJFAPSA-N 440.548 2.065 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)cc1C 1742260900 AHMAQAFMJIUDEI-GOSISDBHSA-N 440.548 2.494 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCO[C@H]2CCOC2)n1 1742703491 JJQPTYVHFUNLKK-UGKGYDQZSA-N 427.553 2.465 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1743890212 IFPRAWALEDGCJT-LPHOPBHVSA-N 437.548 2.084 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)C1 1748330141 HKJJQIPEPKOWDW-GUDVDZBRSA-N 439.516 2.279 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748667422 UCNBAZPTNMRNCH-YESZJQIVSA-N 442.564 2.352 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748812088 POWWKEJIWUBNLU-GOSISDBHSA-N 431.562 2.030 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748812114 QHKVPGXEVOQSMQ-GOSISDBHSA-N 437.525 2.024 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1748912482 DXEMRBIWXBQGSU-QHCPKHFHSA-N 426.517 2.483 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1748929877 RLMAZRRWZWTLNI-IBGZPJMESA-N 442.589 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCSCC1 1748968635 HPDYPSBLNJCCEG-UHFFFAOYSA-N 438.601 2.416 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2cccc(C)c2)CC1 1748979051 UFRVUFLFBHTSBZ-XMMPIXPASA-N 439.560 2.073 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C)CC(F)(F)F)CC1 1748993154 QBPAIOJLOYDHLP-UHFFFAOYSA-N 438.473 2.257 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749134459 YYCXWCHGKWDWFU-IIBYNOLFSA-N 440.548 2.363 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1749209386 WAFBJIXAXXPPNS-GCJKJVERSA-N 432.569 2.089 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749429434 LYIRVKUZFBGGNV-ZCNNSNEGSA-N 429.613 2.190 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749658507 RSDSIWCEYRXRFL-FQEVSTJZSA-N 436.560 2.401 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1749708207 ZHVARKWEQDFMEO-PZJWPPBQSA-N 425.581 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(C)(C)C)CC1 1749729566 NONSMZDFYYUZLZ-UHFFFAOYSA-N 432.594 2.252 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1750076494 OFEZNKIOIYLXNG-ULYRPOKDSA-N 448.568 2.343 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(=O)N(C)C)CCCC1 1751981377 GSMIHKLGMNISGQ-KRWDZBQOSA-N 449.559 2.132 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC(OC)CC1 1760111318 LPYPONOQZPUPPZ-MRXNPFEDSA-N 442.564 2.353 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760135927 NWXOXYKGNGXQJP-GOSISDBHSA-N 430.578 2.251 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1760167721 AHVKVHHRIKFIQK-KDURUIRLSA-N 433.564 2.358 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCCN1C[C@H](C)O[C@H](C)C1 1760179521 IBMXAVGRQQPRCX-KDURUIRLSA-N 427.549 2.434 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1760183829 UHIMVCXYEZMREF-OALUTQOASA-N 433.622 2.219 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1760187345 JEQCDIJJNRXNHS-QGZVFWFLSA-N 449.964 2.300 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCC 1760217175 RWDOERDFJMLWGT-QFIPXVFZSA-N 442.589 2.252 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1cccnc1N1CCOCC1 1760251082 RHFLDEHRRORIJA-UHFFFAOYSA-N 438.576 2.377 30 10 IEEE C=C(C)COCCn1c(COCC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760362015 YQFVIIHGYSEKGC-UHFFFAOYSA-N 426.583 2.345 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1760398345 VEJFZKSCDHBSFL-NFBKMPQASA-N 433.597 2.179 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1760471492 XAUVJXAFOZEEJP-RXVVDRJESA-N 438.594 2.441 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@@H]2CC)C1 1760549743 LQQFBWIALPHFER-VQTJNVASSA-N 430.597 2.446 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1cnn(C)n1 1763755281 KSEUZHZIMWJJTN-QGZVFWFLSA-N 434.552 2.146 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@H]1CCOC1 1767062436 SYHTZXFICDXLEY-WOJBJXKFSA-N 438.532 2.180 30 10 IEEE CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768139754 IMYBAUCDEUSRAU-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE CN(C)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1768498298 FIDXDSHMZJEXJT-LJQANCHMSA-N 442.589 2.425 30 10 IEEE CN(OC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1768992115 GZHOBQZOJMNEMX-QGZVFWFLSA-N 445.545 2.474 30 10 IEEE CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769327444 DDOBKINHRVZLBJ-UHFFFAOYSA-N 444.543 2.060 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCC(N4CCC(C#N)CC4)CC3)CC2=O)c(OC)c1 1850718771 UIRDBANRWFFCEX-GOSISDBHSA-N 440.544 2.283 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)[C@H]1C 1854295654 LHXYPAYKRZRLOW-ZIAGYGMSSA-N 445.994 2.190 30 10 IEEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855463992 XUEGAOZVMHZNAQ-MJGOQNOKSA-N 433.574 2.356 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 1858961522 CJXWIMQGZPJRED-UHFFFAOYSA-N 436.873 2.083 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862694648 OEWPVSZVSHXZNI-IBGZPJMESA-N 438.436 2.108 30 10 IEEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(CC)CC1 1868796927 YXQFAPDOHISXTB-UXHICEINSA-N 445.633 2.474 30 10 IEEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1870150049 WZYLAEZHCKXKKM-INIZCTEOSA-N 426.440 2.002 30 10 IEEE Cc1ccccc1OCCCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)cc1O 1874248111 CBMMQCJOYKUAPM-FSJBWODESA-N 441.513 2.469 30 10 IEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874316691 GJAHMXLJKKLMLM-WSDLNYQXSA-N 427.486 2.161 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccn1 1874335352 NMSWRSCVZWBKGO-PLVXZXGYSA-N 443.577 2.240 30 10 IEEE COC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874449332 ZHTLRDQMAYYNRX-RNDVCUHJSA-N 436.490 2.303 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)C2)c1 1890119676 CCKSXCOBXPWGGA-QUCCMNQESA-N 440.525 2.176 30 10 IEEE C[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 1900474186 CGJVKMSCTMNVTL-NWDGAFQWSA-N 425.360 2.474 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 1904863906 XIWORRWQXYSSQJ-ZDUSSCGKSA-N 427.498 2.036 30 10 IEEE C=CCN(CCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1985018799 YJAYDAYTKNMSAJ-JKSUJKDBSA-N 427.542 2.286 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1990493632 DAHJRWAARJJDGR-IXDOHACOSA-N 425.574 2.309 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCCOC2)C1 2054340120 XLXBZHBRNDNCCC-BBRMVZONSA-N 439.372 2.373 30 10 IEEE C#CCn1ncc(NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2112926419 QMBVNXIVSXNEMB-GFCCVEGCSA-N 429.290 2.256 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC(=NO)CC2)C1 2164487011 IPPRMCXTFOFSET-LJQANCHMSA-N 437.493 2.047 30 10 IEEE CO[C@H]1CN(c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2224093777 OYDLTYUIUYVCDM-IRXDYDNUSA-N 433.358 2.418 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2232314335 SBIJRZCXGTYWSE-UHFFFAOYSA-N 448.325 2.359 30 10 IEEE CN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243412351 LHIKKOBAOOWWKK-UHFFFAOYSA-N 446.400 2.193 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)CONC(=O)OC(C)(C)C 2243674289 HKHLOZNFJSIWHC-UHFFFAOYSA-N 426.344 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626466 GLRXYCXRPSQOBK-UONOGXRCSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2256040328 VSENCQJPQOJZTM-ZWKOTPCHSA-N 433.358 2.350 30 10 IEEE C[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256624951 QGOGSDNRMYRUTD-PBHICJAKSA-N 434.342 2.049 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267136931 MYNQNDDLQXLGCF-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267174194 SCKVESNHFBJUGU-HOCLYGCPSA-N 446.357 2.199 30 10 IEEE CCc1nn(C)c(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508234 BJGDKSACFXMLJT-CQSZACIVSA-N 448.373 2.021 30 10 IEEE Cn1ncc(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267510803 RJNMBGPSBXVFLE-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2267591568 DIPFELUZXAHJHK-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@H](N)C#Cc1cccc(Br)c1 2278790793 VAUUKBCTUGLIMJ-CVEARBPZSA-N 445.379 2.456 30 10 IEEE COc1cc(OC)c(OC)cc1C=Nn1cnnc1SCC(=O)NCc1ccco1 2321275818 MECGBANXCQKSGB-UHFFFAOYSA-N 431.474 2.188 30 10 IEEE CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337206998 VUORTFDGXZXVOP-IBGZPJMESA-N 438.381 2.456 30 10 IEEE Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 41514091 HCRFDDIQHCXSKR-MOSHPQCFSA-N 439.468 2.335 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccncc3)n2)cc1 59023889 AABURFNUKYGUKM-OYKKKHCWSA-N 425.518 2.495 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 109888658 MTMJOTWIVXHUAQ-ICSRJNTNSA-N 434.521 2.447 30 10 IEEE COCCN(Cc1scnc1C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426368005 ZVOCJLDJKIBSTR-SFHVURJKSA-N 427.530 2.282 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 462509164 HQLDNJBWVYYRBB-UHFFFAOYSA-N 428.514 2.065 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)CC1 470513751 RXRLMTMUUXSGGC-UHFFFAOYSA-N 426.502 2.403 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 471489439 UXBMVUDKSNIWEE-UHFFFAOYSA-N 436.560 2.301 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 471659206 PPZQXJHHMURAOJ-UHFFFAOYSA-N 427.313 2.350 30 10 IEEE N#C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 499423704 SUGLOUMVFIXLNR-CQSZACIVSA-N 445.229 2.464 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4ccc(CC#N)cc4)CC3)C2=O)n(C)n1 505976125 MRVPMVQOHKCBHC-HXUWFJFHSA-N 435.532 2.140 30 10 IEEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 506894607 NHBURFXZZWJUJX-UHFFFAOYSA-N 431.543 2.158 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 509189311 CRIDEMHTVISLGP-CMPLNLGQSA-N 425.864 2.401 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 515382379 MSRLTYBGYITBHE-UHFFFAOYSA-N 442.545 2.336 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)n1 520553690 LWBFKQFQUKZIES-VHSSKADRSA-N 428.443 2.018 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cnc3sccc3c2=O)cc1 523357512 SKIDLWKMGZZHIT-MRXNPFEDSA-N 439.522 2.260 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 541492764 UFKMQTZAHAYPDJ-QGZVFWFLSA-N 443.548 2.180 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 549255478 HARGGHYREAOMNM-CJNGLKHVSA-N 429.336 2.167 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 608889400 MIQRPJWOQAACQA-UHFFFAOYSA-N 434.540 2.175 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)CC2)n1 612846302 LJOCKJMVQIHYBI-UHFFFAOYSA-N 444.364 2.061 30 10 IEEE N#C[C@]1(F)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 615664143 JGTAOGUJDONDHB-GOEBONIOSA-N 430.299 2.066 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)O[C@H](C)C2 732464408 WIOMXTDDCJVWLE-QFLUEFDLSA-N 440.500 2.090 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)/C=C/c1ccc(Br)cc1 733316580 VBASUWGCOIFONP-GIDUJCDVSA-N 428.352 2.297 30 10 IEEE CC(C)(C)OC(=O)CSCC(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 741435131 OVKLZIMWQNSRQD-UHFFFAOYSA-N 438.449 2.457 30 10 IEEE Cc1nccc(CN2C(=O)[C@@H](CC(=O)NCCCN(C)C)SC2=Nc2ccccc2)n1 741453296 DAFJOUTYHGUQGQ-LJQANCHMSA-N 440.573 2.375 30 10 IEEE C#CCN(C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 754059651 UFXXRYZPZRUNBD-IFMALSPDSA-N 446.594 2.137 30 10 IEEE Cc1cc(C)n2c(C=NNc3ccc(S(=O)(=O)Nc4nncs4)cc3)cnc2n1 755758336 PELCMOKQZDTMHE-UHFFFAOYSA-N 428.503 2.444 30 10 IEEE Cc1cc(NC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)nn1CCC#N 768089909 NIGGVSVQDFDNDT-QGZVFWFLSA-N 440.504 2.426 30 10 IEEE C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 769866958 XPQSSFDLEXXEGQ-UDJKBAMHSA-N 428.580 2.421 30 10 IEEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772896465 CSILBRTYIUPYDQ-UHFFFAOYSA-N 430.599 2.100 30 10 IEEE C#CCN(C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 774190613 CQUIJOFCSQPCDE-NRFANRHFSA-N 440.521 2.376 30 10 IEEE C#CCN(C(=O)NCc1cccnc1Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 774223261 ATPIDRUPXBCUGY-QGZVFWFLSA-N 429.498 2.214 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC[C@H]2C)c1 795176320 HZCAPWDHAYONON-MDASCCDHSA-N 445.589 2.443 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)[C@@H]1c1cncn1C 796839126 DMQMGLKQYRWHBX-VQIMIIECSA-N 449.577 2.030 30 10 IEEE COCCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 802490143 YBJLPHBJIHRZRM-FQEVSTJZSA-N 431.500 2.194 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccc4sccc34)CC2)cc1 809186843 HPXANNUUTUXALD-UHFFFAOYSA-N 440.550 2.170 30 10 IEEE C#CCN(c1nnc(CCCc2cccs2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812385191 SCQCEAZGPAXQPZ-ROUUACIJSA-N 448.614 2.178 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 858078996 WZPVCZQMPSTEGQ-HNAYVOBHSA-N 440.525 2.177 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 914679030 QOSCTOAWCSWGEP-LPHOPBHVSA-N 440.477 2.213 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCc2cnc3c(Cl)cnn3c2)cc1 1129448419 ZSHZGLRYFKYRIH-UHFFFAOYSA-N 431.905 2.433 30 10 IEEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C[C@@H]12 1131124530 TVHXENDFYRCOQV-DBVUQKKJSA-N 430.457 2.374 30 10 IEEE C[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1131774879 LGEMTDUINDKLCP-INIZCTEOSA-N 426.517 2.105 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)[C@H](C#N)C1 1137215220 QEYTZMJMOWSVLC-MSOLQXFVSA-N 427.505 2.114 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(N)c1 1156559845 DFHOWCKXCZCURG-LJQANCHMSA-N 432.933 2.348 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCNS(=O)(=O)c3ccccc3F)CCOCC2)c1 1167197384 VPBYKZPTPCTNPT-UHFFFAOYSA-N 431.489 2.188 30 10 IEEE CN(C[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1)C(=O)OC(C)(C)C 1167298203 HWJDWIHPNZYUOD-GOSISDBHSA-N 425.533 2.456 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1167322262 XFSYHIFJGQTXQK-HXUWFJFHSA-N 442.434 2.360 30 10 IEEE CCOC(=O)[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H](O)c1ccc(Cl)cc1 1213159011 BXFQZQVXSZQCMO-ROUUACIJSA-N 440.880 2.435 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 1251528359 KTVHMWCDSMXNTC-SFHVURJKSA-N 434.968 2.225 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286311956 OZLQBHYNONHQJY-UHFFFAOYSA-N 439.564 2.245 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1286350104 VCILKFNWKGCAQP-SFHVURJKSA-N 441.507 2.062 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286350911 MBZIQEJJOWNDCX-GOSISDBHSA-N 433.553 2.187 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1286391452 IORCGQUCJWXHKA-QRVBRYPASA-N 431.537 2.029 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCS(=O)(=O)C1 1286415684 JEWPGBSCUCSZGB-HXUWFJFHSA-N 440.569 2.372 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1286505481 BBLDGSXCJMJUJT-QGZVFWFLSA-N 425.624 2.038 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286570983 GMBWRVHYCCMHOY-INIZCTEOSA-N 427.475 2.344 30 10 IEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286588280 OZETWDOXOXCWRE-UHFFFAOYSA-N 433.516 2.350 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1286619460 SCLCTLOPTFEWGF-UFYCRDLUSA-N 425.533 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286815212 ORKWQYGLYRXYJG-YJBOKZPZSA-N 449.533 2.315 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CC2)CC1 1286823570 OLRJEBVSGXJZCW-UHFFFAOYSA-N 427.578 2.377 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC(F)(F)CNC(=O)OC(C)(C)C 1288021910 DJEHAZCNZKEVLG-ZDUSSCGKSA-N 443.499 2.315 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[S@](=O)C(C)(C)C)CCOC1 1288304467 FLFRQDCQNGFNLO-LOFNWHPJSA-N 441.573 2.308 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)n1 1290597817 KMRZYMSSJGJEBD-LEWJYISDSA-N 435.532 2.188 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)n1 1290631945 ACDCKDOOUYQALX-FDDCHVKYSA-N 440.596 2.238 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOCC1 1291620196 OAOZRXJKWMHHLI-IBGZPJMESA-N 438.580 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)C1 1294848073 NKSRDYCHNOJLRO-QFIPXVFZSA-N 425.489 2.327 30 10 IEEE CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1295455628 CEDDHLUHEYAPOT-MRCUWXFGSA-N 435.488 2.101 30 10 IEEE COC(=O)C1=NOC2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)C1 1296311976 HBLBCFSTTWJHFZ-UHFFFAOYSA-N 436.262 2.010 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1297998310 GRPPRFJGJAHOEQ-SFHVURJKSA-N 437.548 2.036 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1conc1COC 1300455315 HPLGHKBRIYFANK-UHFFFAOYSA-N 447.499 2.488 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1300584127 QOZPLNQJCOFSKZ-UHFFFAOYSA-N 439.947 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1300718537 RUFPNQQTDPVZEH-KNQAVFIVSA-N 446.555 2.334 30 10 IEEE COC1CCN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)CC1 1300785179 CSUNIZBUEJDRGV-QGZVFWFLSA-N 431.585 2.028 30 10 IEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)CC1 1300974090 CNVNZINEKWERGX-UHFFFAOYSA-N 426.546 2.497 30 10 IEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1300991532 ORBXVHZHOXTPGE-HNNXBMFYSA-N 439.520 2.005 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301139177 LVQCKNWUYOFEFA-INIZCTEOSA-N 448.568 2.125 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCNS(C)(=O)=O 1301270181 DGHQOFMFRWKZND-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@@H]1CCOC1 1301286847 MDLHKLFAKPYILU-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1301298170 ZPXVEJPZLBCQAE-LBPRGKRZSA-N 426.340 2.008 30 10 IEEE C=CCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473893 MRRWIAWPVFQYAK-GBESFXJTSA-N 446.596 2.393 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1301935598 UFVOMUSDPVZSNU-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cc(Cl)c2c(c1)OCCO2 1301952145 HOONIADEVCXUJT-CYBMUJFWSA-N 432.912 2.485 30 10 IEEE Cn1nc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c(Br)c1C(F)(F)F 1303030664 WFSMIDLVJQIWCI-VKHMYHEASA-N 434.081 2.490 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)C1 1303949082 ADFPEKHUDUMFTC-DYESRHJHSA-N 426.546 2.326 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](CO)OC(C)(C)C2)cc1 1307856476 HZSHLZLXTNEYAF-LJQANCHMSA-N 426.517 2.385 30 10 IEEE C=CCNC(=O)CNC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1311452947 SOJLTSVJBJIAQR-UHFFFAOYSA-N 441.498 2.209 30 10 IEEE C=CCN1CCC(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)CC1 1311893998 OSGBCBFKYHRRSH-RBUKOAKNSA-N 432.569 2.073 30 10 IEEE COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc(OC)c1 1315313717 OWEZUJFRMWNGGS-LJQANCHMSA-N 436.472 2.396 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1315872232 GQYQMQWRRDZAHC-IBGZPJMESA-N 435.488 2.104 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1316175217 AQQLJVLJNVPBFH-IIBYNOLFSA-N 440.483 2.073 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1316269521 JVQLUOWYEGZRNN-PEXPKUBFSA-N 433.553 2.326 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1320907620 ABDNOVVAYGXQNS-CVEARBPZSA-N 434.514 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCOC1 1358987635 NLBIVNZLLUCDGJ-SFHVURJKSA-N 426.542 2.238 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1359013727 JTWBNXJFZQKRSJ-QGZVFWFLSA-N 432.546 2.150 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1359026856 MSZJGONADDSMMN-SFHVURJKSA-N 431.443 2.239 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1359189446 LDEMVSSTXWXOIF-KRWDZBQOSA-N 437.566 2.443 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1359269190 RXJLHTJASCPDME-MRXNPFEDSA-N 430.530 2.329 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cnnn2)C1 1359326026 RINAXGXZESKJAC-KZNAEPCWSA-N 430.557 2.055 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1359893847 OZOVAUMQADMDOF-LSDHHAIUSA-N 442.607 2.050 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3cc(Br)cnc3n2C)n1 1459760645 ZPCMWRBKDOAOLL-UHFFFAOYSA-N 430.306 2.454 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1 1460188685 RJKOQSLGJCNZOY-UNJYKCMZSA-N 431.492 2.118 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](N3CCOCC3)C2)n(Cc2ccco2)c1C 1473489674 FHMJZLCHWIRMBU-LJQANCHMSA-N 425.533 2.353 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)CC1 1475697058 HQDMGGVSOBFGJM-UHFFFAOYSA-N 436.299 2.467 30 10 IEEE C[C@H]1CCCN(c2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2Cl)C1 1478527961 JJQCZSXETPVZGQ-AWEZNQCLSA-N 444.923 2.210 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1501194136 BVQBNEREZDWKTH-SFHVURJKSA-N 439.520 2.058 30 10 IEEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1501961204 CDLGFQLWFQAKMI-SFHVURJKSA-N 439.564 2.128 30 10 IEEE CCOc1ncccc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1502930856 MIQHSXLQOGDRFV-QGZVFWFLSA-N 425.518 2.205 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCO1 1504735157 KSOWGXXKKWXZPH-AZUAARDMSA-N 427.505 2.007 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1505313995 OMDUHFAGOJQKHP-RDJZCZTQSA-N 430.459 2.333 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1507628877 IUOQAKTWVQANFM-SJORKVTESA-N 433.603 2.054 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCN1CC 1507663932 DJDGVDXPJKPTRQ-QFIPXVFZSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(NC(C)=O)cc1 1507672938 JNGFBCRYNJGELB-UHFFFAOYSA-N 432.528 2.065 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccco1 1507699330 FWOPVMVMCWIJKX-OAHLLOKOSA-N 431.493 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(OCC)CCCC2)CC1 1507740230 YSBMNDFJRWSRCI-HXUWFJFHSA-N 443.592 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2CC2)CC1 1507741130 VGELFADUXUUUIY-UHFFFAOYSA-N 440.573 2.036 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)C(C)(C)C)CC1 1507742783 QAIBECDVLFIEIE-FQEVSTJZSA-N 438.576 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cc(CO)nn1 1507771754 HSJUURDGDUYIQJ-DNVFCKCGSA-N 441.580 2.363 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](OCCOC)C1 1507804663 LSCIQMRMQVEYJO-ONTIZHBOSA-N 427.549 2.487 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1507984657 ZLMKLUVEFQIWDC-PKOBYXMFSA-N 449.577 2.009 30 10 IEEE C=CCN(c1nnc(COc2ccccc2CC)n1CC(=O)N1CCOCC1)C1CC1 1507996664 ZHIKXVFHPMJDLL-UHFFFAOYSA-N 425.533 2.433 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1508431255 FOITUXBVCBDKGL-SJORKVTESA-N 436.557 2.345 30 10 IEEE COCCN(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1519109433 BXWGZJDDPDZEPC-FUHWJXTLSA-N 444.605 2.438 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)CC1=O 1519229169 HIVCRSSGBUSRDS-UHFFFAOYSA-N 438.532 2.071 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1519516728 HRQGYQIULLJMAQ-YLJYHZDGSA-N 433.509 2.164 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1521101732 HSAGRIPXPOZKBS-SIKLNZKXSA-N 440.479 2.366 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CCCN1C(=O)c2ccccc2C1=O 1529393277 PLTBAYHRQVGKBL-UHFFFAOYSA-N 444.495 2.295 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccsc3C#N)CC2)cc1OC 1532129784 DQKPFXWBQJNPGW-UHFFFAOYSA-N 435.527 2.220 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 1534447406 CMEQBCVJPCDZHS-AWEZNQCLSA-N 427.436 2.494 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCSC(C)C)c1 1539042006 BCJAXASVGWPBBJ-SFHVURJKSA-N 440.573 2.427 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC1CCN(CCN(C)C)CC1 1539195113 MNVOYAVOOBWJQS-UHFFFAOYSA-N 428.556 2.339 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539220375 RKUXXRDIUFHQST-RBUKOAKNSA-N 449.646 2.468 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC=CO2)n1 1539424924 YNJGUEFAVRBTTA-CTNGQTDRSA-N 440.548 2.348 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(C)(F)F)cc2)CC1 1539459571 KJIVCROHGXUWEL-UHFFFAOYSA-N 442.514 2.316 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539614644 AYTSFKFMHKQUJE-GGPKGHCWSA-N 430.597 2.172 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1539644375 OJOWUENZMLUKMJ-PGRDOPGGSA-N 431.581 2.463 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1539669874 VOQNHIRJMKCEQX-MRXNPFEDSA-N 429.562 2.296 30 10 IEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540040457 UVIARLCNXYOZCM-LJQANCHMSA-N 443.573 2.497 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1540857614 IOEMGMSYTGVYOM-IBGZPJMESA-N 430.597 2.271 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1541086624 AYXXJHDTNIVDHL-UHFFFAOYSA-N 432.532 2.460 30 10 IEEE C[C@@H](OCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1541987809 GEZWNONIDZSACK-QUCCMNQESA-N 438.532 2.297 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4cnc(Cl)cc34)CC2)cc1 1543120699 CUOUWRFWHDEASU-UHFFFAOYSA-N 443.916 2.164 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(C)cc1 1545928428 AEIPZICJCNDERS-LJQANCHMSA-N 426.521 2.313 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)OC)c1 1561873641 JCDCOOWUFCKHRF-NRFANRHFSA-N 434.489 2.194 30 10 IEEE N#CCCn1ncc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1-c1ccccc1 1584941012 BGFXLLKMWODYCP-UHFFFAOYSA-N 427.530 2.104 30 10 IEEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1587323501 ANPCUMOQDMCAAZ-UHFFFAOYSA-N 434.345 2.378 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1588673057 LLSGDEQSIGALKO-ZWKOTPCHSA-N 437.544 2.419 30 10 IEEE C#CCSCCn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1589126262 YOFKQVUIDBNPFF-GCJKJVERSA-N 444.605 2.099 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1595477739 YRCRDGQSEQUIMI-DLBZAZTESA-N 432.569 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCCOC1 1595506859 OKYGIKMALSHHBF-INIZCTEOSA-N 429.521 2.127 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)[C@@H](C)C1 1596183566 IBSRKFNCXZJVRQ-KRWDZBQOSA-N 437.548 2.036 30 10 IEEE CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1597814851 FJSQGTHUBMHLIH-LJQANCHMSA-N 438.532 2.011 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1611769693 WUVQCIHTELVRBP-MZKRTTBSSA-N 436.516 2.399 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1614327893 ABYYNUUEDNXNMI-WIYYLYMNSA-N 431.562 2.381 30 10 IEEE COc1cccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1619377503 ZHXZTHKNRSIEPZ-IRXDYDNUSA-N 447.561 2.396 30 10 IEEE CS(=O)(=O)CCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1620162114 IDHWZQILBLSORO-LJQANCHMSA-N 429.546 2.430 30 10 IEEE CC(C)(C)OC(=O)CC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1625931529 BRYAGIQBINXWAN-UHFFFAOYSA-N 435.546 2.276 30 10 IEEE C#CCN(C(=O)Nc1ccc(I)cc1F)[C@@H]1CCS(=O)(=O)C1 1626181345 FWRLSTXYAYVQFM-LLVKDONJSA-N 436.246 2.085 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1627799874 APSPDTOQYGIVPV-NRFANRHFSA-N 433.984 2.390 30 10 IEEE O=C(Nc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)c(O)c1)c1cccc(Br)c1 1628370152 JGUZPEUNYOZNDM-CQSZACIVSA-N 434.246 2.127 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1630300931 SZVIJGXUMJLJCU-UBIUBJKMSA-N 446.500 2.182 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1632821312 KAVOYVIPDSZRFM-GRYCIOLGSA-N 448.891 2.456 30 10 IEEE C=CC[C@]1(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CCCN1C(=O)OC(C)(C)C 1635005864 FRFGAPVXSCRQRW-FDDCHVKYSA-N 434.581 2.144 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](N3CCOCC3)C2)C1 1636960642 QDCCLRWAYRSLRU-SFHVURJKSA-N 433.350 2.080 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)NCc3nc(C#N)cs3)C2)cc1 1638699833 PRIHHJKLNYDACE-HNNXBMFYSA-N 433.559 2.223 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 1640196411 YYWXCBZMOCXIHD-IRFCIJBXSA-N 440.544 2.060 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1ccc(F)cc1Cl 1641678618 NWNZIDBGYSHRGN-UHFFFAOYSA-N 437.880 2.297 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1 1650628480 LXZSMBSPKOLRID-WGSAOQKQSA-N 441.509 2.130 30 10 IEEE CS(=O)(=O)CC[C@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1651221259 TWUFOCSKGJTIMN-KRWDZBQOSA-N 444.509 2.109 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CCO2)cc1OC 1653793477 CMAWQSXVWXBPEW-NRFANRHFSA-N 444.509 2.090 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1)[C@@H]1CCCO1 1655040442 IGGIVJAWZWWVIE-HOTGVXAUSA-N 430.320 2.393 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3CC3(O)CCCCC3)CC2)o1 1660111926 CGLYLHYVOGJACD-LJQANCHMSA-N 429.565 2.443 30 10 IEEE N#Cc1c(CCCNC(=O)NCC2(CF)CCOCC2)nn(-c2ccc(F)cc2)c1N 1686500697 APLSYBDEHVOPSF-UHFFFAOYSA-N 432.475 2.463 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1689996811 OSTJPGYWKVVXBA-GOSISDBHSA-N 427.530 2.156 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccc(F)cc12 1690019838 SLNKRFANQYORTN-QGZVFWFLSA-N 439.516 2.116 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cc(C)nn2C)CC1 1690132636 UWUAAVSHIQELMY-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690315747 LOWIDAGSFTUQFR-UHFFFAOYSA-N 441.580 2.487 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@]1(C)CN(C)C1=O 1690559909 MAKHQPKRBBBQLU-QHCPKHFHSA-N 428.500 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1690668236 XWMPFZGTYDGTLK-IEBWSBKVSA-N 439.564 2.164 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1695894420 BIWYHEMXUOSAIK-WMZHIEFXSA-N 439.612 2.082 30 10 IEEE CCO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1696003844 GKLZNTVKFHUFIS-MOPGFXCFSA-N 430.553 2.115 30 10 IEEE COc1ccc(COCCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1697466468 YAQRBTFHCBOZCY-OAQYLSRUSA-N 434.500 2.218 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1698024691 RROLXHAOIMNSJO-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)C1 1698298173 LMHQEARPOKHQHH-HNNXBMFYSA-N 432.893 2.130 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705558089 JVLMFVIJLMKGAT-QGZVFWFLSA-N 433.603 2.372 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705564365 NKLHYHPXHZNHQY-IBGZPJMESA-N 425.489 2.154 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCN(CC)CC1 1705609549 IAXMOGVPHLQBRP-LJQANCHMSA-N 438.576 2.407 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CCOC 1705672080 KJVYMFRWPBOBQA-HSZRJFAPSA-N 435.532 2.164 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705700093 OSOZCHBCAOAYHO-MKXGPGLRSA-N 433.553 2.478 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705730857 ONSSHJUKUSDRLL-QGZVFWFLSA-N 443.504 2.196 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705871217 BNEZHIZRUMBRFT-QGZVFWFLSA-N 431.562 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(C)(OC)C1 1705933783 RNGZKTHWZMHRAV-UHFFFAOYSA-N 440.953 2.433 30 10 IEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705948701 COUFQZRWMOCKIK-INIZCTEOSA-N 446.552 2.471 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1706934662 DHOZFWUTVGGYFP-XGHQBKJUSA-N 438.523 2.268 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C 1710204832 HBZDNHBRACCPIW-JENIJYKNSA-N 442.589 2.170 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 1710328533 GYSFWVVDNSTYMM-KESTWPANSA-N 439.539 2.213 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1712390121 HNBIDOQCDMAPMO-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722352383 PYORFEXXWNBIKV-XWSJACJDSA-N 445.564 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cn2ccccc2n1 1722388164 XFKFIKCIKMOQMV-UHFFFAOYSA-N 438.495 2.279 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1722503050 XRMHHONBIHJAJC-JTQLQIEISA-N 430.319 2.278 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1722527924 CHEKDFPDBBYOAN-IAGOWNOFSA-N 449.577 2.269 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1722569783 OMOMPJUSKIOZEU-UHFFFAOYSA-N 425.468 2.306 30 10 IEEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1722675465 QXLLRQJYIZRZPG-MRXNPFEDSA-N 449.602 2.415 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1722690320 HQQDBQKNSZJRFH-QGZVFWFLSA-N 449.490 2.361 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1722706363 SEWZZUJTBHBSMJ-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CC1 1724010345 IJXVWSRYTJQQFH-IIBYNOLFSA-N 446.552 2.241 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1727486456 SCFLYOJJHRRDAN-KSFYIVLOSA-N 445.568 2.410 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1730483348 FFXFTEZNIULNOQ-OAHLLOKOSA-N 434.426 2.294 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](COC)C1 1740582240 LRRZJOIYVDLBGQ-QGZVFWFLSA-N 430.505 2.236 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnc(C)s1 1740638886 QCRGVWBKASPYQM-UHFFFAOYSA-N 432.557 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccccc2)CC1 1740706992 KXGZJZCVYGTFHJ-UHFFFAOYSA-N 444.539 2.309 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740742140 DPYHUYCZSPBDKX-UHFFFAOYSA-N 430.310 2.323 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1740762050 BNXAQFAUHYHJJE-NFBKMPQASA-N 444.624 2.250 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1740767668 YIFUGQVKVDWMRJ-INIZCTEOSA-N 449.577 2.384 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1740795388 UGOMBNNEKSRGTP-LJQANCHMSA-N 430.574 2.377 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740851425 WAURYKBLVCJVKH-SQNIBIBYSA-N 438.594 2.167 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1740855263 MJTPCAXPAPLNTD-WOJBJXKFSA-N 436.560 2.462 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740884294 WFTRTNQMYVAMHS-SFHVURJKSA-N 426.521 2.102 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740888861 JTHSNOHGKQPUCP-FJIDUMEYSA-N 425.599 2.496 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1741005661 NIZBROXFDDMEDP-GOSISDBHSA-N 447.586 2.271 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1741131745 HHZFSDJIOKSGLK-XKGFGPFHSA-N 436.626 2.287 30 10 IEEE Cc1cc(CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)no1 1742124538 FKUQOYLGNHTJIP-VHEBQXMUSA-N 427.509 2.326 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cs1 1742576995 ARCFPBDZPQSCHE-KRWDZBQOSA-N 438.554 2.043 30 10 IEEE CC[C@H](C)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1/N=CC=CC1=O 1743578847 IDMJMHQDQRTRIZ-ZJYNUGOYSA-N 446.552 2.153 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)OC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 1748817616 NEBHYCSAAIMYFH-INIZCTEOSA-N 430.530 2.023 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC1CCCCC1 1748934875 IAYDPRCCQMCUDW-UHFFFAOYSA-N 428.562 2.178 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(C)C)CC2)CC1 1749003466 KTOWJWYJANNPKM-DEOSSOPVSA-N 443.592 2.332 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCc1cnccn1 1749141380 BGPJAMWWQHVDAS-ZFMNYDKASA-N 442.564 2.452 30 10 IEEE C=CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749763596 CWYFDCWXJGYBOK-HXUWFJFHSA-N 433.582 2.158 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)C1 1752474013 DSOXBYCNZZDTAI-LJQANCHMSA-N 449.515 2.494 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760097751 JNHVNFKMMCIZEE-BBWFWOEESA-N 449.552 2.297 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1760116089 FJBJDOCLYYVXPS-RBUKOAKNSA-N 442.585 2.387 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCCC1 1760175714 PQMADJDNSSLSGR-SFHVURJKSA-N 430.530 2.217 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760184761 LIJWBLYJRVZSHH-GOSISDBHSA-N 425.489 2.154 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F 1760197775 JNRMHDCQAMCRAM-UHFFFAOYSA-N 442.289 2.223 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760243261 DJZVEHMMCXBLGD-RTBURBONSA-N 431.581 2.441 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CCCCC1)N(C)C 1760243521 MZEDSIZZSVBQKW-FQEVSTJZSA-N 430.597 2.111 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(O)(C(F)(F)F)CC1 1760272415 JRAQWXDSBFJOJY-UHFFFAOYSA-N 447.527 2.457 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760311895 DJTFDQBBNJBIEH-UHFFFAOYSA-N 432.326 2.316 30 10 IEEE Cc1cccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1761702391 HKGBFZCBKNHEDG-SJORKVTESA-N 446.577 2.404 30 10 IEEE CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)nc4)CC3)nn2)cc1 1851950975 RGWKIVFCOPSSGA-UHFFFAOYSA-N 429.484 2.131 30 10 IEEE Cc1ccc(C)n1[C@H](CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(C#N)cc1 1852939913 GLWZEYCWIRRCDM-GHTZIAJQSA-N 428.558 2.448 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C2(CCCC2)C1=O 1856402413 POGHATJXNSDKRW-UHFFFAOYSA-N 445.419 2.171 30 10 IEEE CCCN1CCN(C(=O)[C@@H](CC)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868797023 ZYEQDSIQDYUFLG-WOJBJXKFSA-N 445.633 2.474 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)CNC(C)=O)n(-c2ccc(Br)cc2)n1 1870004906 PFQJRHHFAUZOOM-UHFFFAOYSA-N 433.310 2.283 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)Cc1cc(OC)ccc1OC 1873710873 XIOPBABDGNUIEF-UHFFFAOYSA-N 431.514 2.027 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCCCC3)SCC(=O)N2C2CC2)cc1 1889326788 XVMVERQYOWGTHC-XZOQPEGZSA-N 441.597 2.448 30 10 IEEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC[C@@H](COc3cc(C#N)ccn3)C1)CS2 1891143690 LHDNPJJCDNLNPR-SJORKVTESA-N 425.514 2.173 30 10 IEEE C=CCN(CC(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1993456923 MGLWHXHVSHAGFQ-OAQYLSRUSA-N 427.542 2.288 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2174780685 XERMWLRTMLDPNR-HXUWFJFHSA-N 429.498 2.015 30 10 IEEE N#C[C@]1(NS(=O)(=O)c2c(Br)cc(N)cc2Br)CCSC1 2191765491 JLNIVBRSUHOALP-LLVKDONJSA-N 441.170 2.471 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247905924 KWIBQPMLGYPUEY-ZDUSSCGKSA-N 437.371 2.475 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247908359 SHSSKFBWZUOPBT-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1NC(=O)OC(C)(C)C 2255631794 DTVQEJWRDJZRQB-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE Cc1c(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255831737 AKYVDSUMIZAMDP-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256623347 CSMGVRRIYBKJBO-QGZVFWFLSA-N 435.374 2.376 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256623378 DIQFEFGZALKSLA-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2256896393 PBSMOUMLISIPSV-HOTGVXAUSA-N 437.321 2.302 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098701 CBYYNDJUSIUZKN-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE Cn1nc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267137702 OUTHKMVIQNXDLG-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267176722 DPGMVCJWTLRJLH-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE Cc1c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267500176 FAXRXVRFUHHVOY-DEOSSOPVSA-N 438.381 2.422 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(NC(=O)OC(C)(C)C)CC1 2267523788 HFJOSDJYFHGWSZ-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267537774 ROFDSFBEAMCPAW-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H]2COC[C@@H]21 2267560999 JYYZLGVMUQTBSS-CABCVRRESA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2268720203 RCQKCXCAPRPXPF-HZCBDIJESA-N 445.325 2.146 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)S(=O)(=O)C1CC2(C1)OCCO2 2295340220 SYZNYXBPZSLNOX-UHFFFAOYSA-N 443.396 2.023 30 10 IEEE COC[C@]12CCN(S(=O)(=O)N(C)C)C[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 2297648484 FRRXMHKDROKOFE-MAUKXSAKSA-N 446.495 2.158 30 10 IEEE Cn1cnc(C(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@]3(CO)C2)c1 2297649087 QEUBKHUSALYRNE-FOIQADDNSA-N 433.434 2.272 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315643560 OAFNYONNHGEVLV-VNHYZAJKSA-N 449.382 2.428 30 10 IEEE O=c1c(Cl)c(NN=Cc2ccc(Br)cc2)cnn1[C@H]1CCS(=O)(=O)C1 2322614705 UVCOYDQJCYOYPP-LBPRGKRZSA-N 445.726 2.465 30 10 IEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OCC)c(OC)c1 2330796847 JSZHBEGPZUSOMG-UHFFFAOYSA-N 449.533 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)CO2 2342987800 PCLDCIFAZPTQBJ-HKARXFIJSA-N 448.369 2.447 30 10 IEEE C[C@@](C#N)(NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CC1 18422448 KTWHVVOKHXBBJI-CPJSRVTESA-N 445.475 2.246 30 10 IEEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1c(F)cccc1F 20292066 RFKNHYURCUCAQW-ODCIPOBUSA-N 448.415 2.355 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCNC(=O)c1ccc(Br)cc1 301407290 MQYFRCJYYHYMLE-UHFFFAOYSA-N 437.319 2.200 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446636073 DXQLGNKLBFCLKT-IPJUCJBFSA-N 446.515 2.225 30 10 IEEE COc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1S(=O)(=O)NC(C)(C)C 460292032 FENFHBLNIHGQCI-UHFFFAOYSA-N 431.514 2.452 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 460808734 JUUOKDUAALCLNH-QAPCUYQASA-N 435.550 2.090 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 460933576 GGOXTFAGXWWRMC-FQEVSTJZSA-N 443.523 2.363 30 10 IEEE COc1cc(N2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)ncn1 461351915 RDJJQXKEYKCDQS-MRXNPFEDSA-N 426.546 2.498 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 478224535 UWRZPDXBUCBGJY-KRWDZBQOSA-N 439.482 2.391 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cn1 481934067 IVUFCUUYMRLIGL-UHFFFAOYSA-N 428.290 2.112 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 492843329 BQDHPDNERIBJQZ-UHFFFAOYSA-N 438.484 2.234 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC(C)(C#N)CC3)cc2)C[C@@H](C)O1 506042463 UDDQESIJKBEWQP-CALCHBBNSA-N 434.562 2.049 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H]1c1cccnc1 510791375 FPHYPJLOBZXLLC-IRLDBZIGSA-N 431.496 2.350 30 10 IEEE COc1cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1C 525463146 YTAUUKPPJLGSIQ-UHFFFAOYSA-N 442.541 2.134 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 545516572 GBZGRAPMUCAGNJ-UHFFFAOYSA-N 442.545 2.384 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 549286879 CWYYGRZEWIMCCX-QHCPKHFHSA-N 436.564 2.135 30 10 IEEE N#Cc1ncn(CCNC(=O)N2CCC[C@@H]2c2ccccc2I)n1 553969742 MTOSPZGEZRJRCG-CQSZACIVSA-N 436.257 2.301 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)ccc1C#N 564138230 DSVZAVAWNXZKCO-UHFFFAOYSA-N 427.549 2.185 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(C#N)c1C 580478042 MEPDCYZLEVYEGF-UHFFFAOYSA-N 442.541 2.454 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 590914328 IAZOLFQFJLFMJU-KRWDZBQOSA-N 445.972 2.017 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C#N)c1 610355082 HAQMIQIDDPHBNF-HNNXBMFYSA-N 443.485 2.244 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 678128404 UVWWXOFYWKCNHV-UHFFFAOYSA-N 441.601 2.067 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 740206919 WCEYHZDYKJAMIU-YVEFUNNKSA-N 436.873 2.336 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(C#N)cc1 740216968 ZZYPEFASDIITDZ-QUCCMNQESA-N 442.493 2.416 30 10 IEEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)CCN/C(O)=C1/N=CC=CC1=O 741339330 DZUPVHDBRQKNDC-HGCZGKCMSA-N 435.864 2.444 30 10 IEEE C[C@@H](CC(=O)OCc1noc(-c2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 744089328 SAJURBJNSCIMAC-ZDUSSCGKSA-N 426.454 2.297 30 10 IEEE CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](COC)Cc1ccccc1 746619400 RBSOEHKHIRCQQW-GOSISDBHSA-N 429.542 2.221 30 10 IEEE C[C@@H](C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 752615494 QBWRHLSSAMUKEB-CXAGYDPISA-N 447.538 2.322 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757466915 UPKHUPURBFPDLO-GGAORHGYSA-N 448.475 2.229 30 10 IEEE C[C@@H](CC(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772625142 NUHSYGIOJWTSHU-INIZCTEOSA-N 435.546 2.007 30 10 IEEE C#CCN(C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1 774186510 HWVSSHCUKZAVJE-HXUWFJFHSA-N 436.537 2.417 30 10 IEEE C#CCN(C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 774191378 XZFDMWSHQQLMEF-WIYYLYMNSA-N 436.537 2.495 30 10 IEEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)n[nH]1 784955603 HYCOSQMEWMZYKF-NRFANRHFSA-N 443.511 2.052 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)n1 788818930 SWEFLPDGCQSMOW-HNNXBMFYSA-N 435.450 2.414 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CCN1C1CC1 800605540 NXVVVVSNRZDTEE-CQSZACIVSA-N 428.386 2.294 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 809896243 ISIGNAAAYZYFEF-JKSUJKDBSA-N 444.540 2.243 30 10 IEEE COc1cc(C=NOCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1OC 823708062 IEKPGDVOAWHOOZ-HNNXBMFYSA-N 446.953 2.379 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1(C)C 1136149283 DXPBIVBZRSZQGZ-JOCHJYFZSA-N 447.557 2.149 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)CC1 1140132279 BRQCSQORFNNWQE-GOSISDBHSA-N 437.569 2.200 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc(Br)s1 1140613783 UCRSKDNVFXXZCK-UHFFFAOYSA-N 443.348 2.041 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)c1 1151512756 BWJYUONXQZCLLI-UHFFFAOYSA-N 442.541 2.344 30 10 IEEE N#CCCn1cc(C(=O)N2C[C@H](O)CC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1152952588 HTNJJSBQGGVDNH-GOSISDBHSA-N 439.472 2.376 30 10 IEEE CCOc1ccc(Nc2ncccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1156669623 FJOJYPVWGZAVTI-BTYIYWSLSA-N 426.498 2.234 30 10 IEEE C=CC1(CC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CN(C(=O)OC(C)(C)C)C1 1161641344 RFSRBCYXXWRCOC-UHFFFAOYSA-N 427.548 2.366 30 10 IEEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1211839275 BXWFIHMWZQMCCY-SECBINFHSA-N 426.716 2.495 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 1248403786 ZLQBXBQKEBCIIX-WKILWMFISA-N 434.518 2.022 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)C4(C#N)CCSCC4)CC3)cccc2c1 1264500790 UTCBFDCNQRFQAO-UHFFFAOYSA-N 444.582 2.413 30 10 IEEE CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1264610301 AQULRTFEGKCCGT-GOSISDBHSA-N 445.445 2.217 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1286364953 OOKYHRRIOFBJJA-UHFFFAOYSA-N 439.994 2.047 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286408898 GJWKKPJOCCAHQJ-RBUKOAKNSA-N 431.606 2.144 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286454994 QNWUIBVSQJYOKZ-NRFANRHFSA-N 426.540 2.308 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286704851 HMSGRGQVKNDSKC-SESVDKBCSA-N 430.597 2.475 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286791788 CQCQMRGGGDFRPN-QUCCMNQESA-N 425.533 2.473 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@]3(CCOC3)O2)C1 1286799410 VSLASJQPUKNFOM-SELNLUPBSA-N 447.580 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1286815308 RBPBVVXJDIWXNT-INIZCTEOSA-N 429.546 2.421 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(C)(=O)=O)C1 1288974039 ARTNFAWZQUGSPB-OAQYLSRUSA-N 442.589 2.427 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc3c(nc2O)CCOC3)n1 1292627598 PCSDPDUSCKPSRX-UHFFFAOYSA-N 430.515 2.226 30 10 IEEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cccc(CNc3ncccc3C#N)c2)C1=O 1294363409 AYJPSZZDCLQUAJ-WZONZLPQSA-N 432.484 2.016 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1295511973 ORBADSWUCKKYKT-IBGZPJMESA-N 434.552 2.062 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1300380420 AWMDQRHNSASLEG-HKUYNNGSSA-N 431.562 2.350 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1300630341 BFEGHTBWICRETJ-SFHVURJKSA-N 446.573 2.290 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NC(C)C)CC1 1300688162 BSHLXICMPZPCRD-KRWDZBQOSA-N 440.617 2.411 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1300703787 SOXMCCHOAQAFPL-NRFANRHFSA-N 442.633 2.042 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1300805540 GVNOXJKSYUMTLO-OPAMFIHVSA-N 444.605 2.079 30 10 IEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1301454304 SRGCIQAXGUYUPR-UHFFFAOYSA-N 444.561 2.293 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1301475052 KWVQLDSCDLZOFS-QGZVFWFLSA-N 426.521 2.313 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C)CC1 1301510421 XRFNAGYZXSKVEW-UHFFFAOYSA-N 448.575 2.077 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1301520081 BQVULMQYOZXZJQ-VQTJNVASSA-N 425.533 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301575804 KOHHMNRIMUHKEU-VQIMIIECSA-N 434.562 2.416 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1303395077 IYCUZUMEAHHZMB-RTBURBONSA-N 432.542 2.326 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCc1cccc(F)c1 1303822690 DTWOQRBKYOSFSH-HNNXBMFYSA-N 434.541 2.400 30 10 IEEE C#CCN(C(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CCN(C)CC1 1303996468 MWVPKGLFKSVAHT-UHFFFAOYSA-N 449.292 2.302 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)Cc2ccccc2)cs1 1304675565 JIGPXQKQYMNBHV-FQEVSTJZSA-N 437.573 2.495 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC(=O)N1C 1305205994 MIPSDNNIUGBKEN-AWEZNQCLSA-N 434.447 2.025 30 10 IEEE Cc1c(C#N)c(NC(=O)CN[C@@H]2C(=O)NCC23CCOCC3)n(C2CCCCC2)c1C 1308108601 JATMQFSLSPFICB-HXUWFJFHSA-N 427.549 2.305 30 10 IEEE C[C@@H](NC(=O)NC[C@@]12COCCN1C(=O)COC2)c1ccc(-c2cccc(C#N)c2)cc1 1312479663 LYEZEBCXIRSVJQ-OSPHWJPCSA-N 434.496 2.213 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCCOc2ccc(I)cc2)C1 1312573101 QNUIHGJLXANTKI-OAHLLOKOSA-N 427.286 2.067 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCSC1 1314681871 IBAXWWBOKVQXSR-SJLPKXTDSA-N 446.602 2.040 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1358889692 FOTRKCDMKLADOV-DLBZAZTESA-N 426.546 2.078 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2cnccc2c1 1358919409 BSHJZZJVEGSFRB-MRXNPFEDSA-N 426.546 2.486 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358940667 GYHSTURLKMOVEW-OAHLLOKOSA-N 446.349 2.272 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1358962005 ILUPQZSQDADLNR-OXJNMPFZSA-N 434.587 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(=O)N1CCOCC1 1358981961 DZPYZLABJHLKSZ-UHFFFAOYSA-N 449.555 2.221 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1358988736 AXGRUDVWLTWRBX-UHFFFAOYSA-N 440.356 2.264 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccccc2C2OCCO2)n1 1359027574 OHTRAONUHJENHZ-UHFFFAOYSA-N 436.516 2.163 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)[C@H](C)CCC 1359065107 IPXHMNCVVLQZPM-YSZBQJHXSA-N 431.581 2.475 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C 1359089708 NKBASQWBIJDONR-IEBWSBKVSA-N 427.553 2.174 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1359283497 WBSNTRWYWJZAIG-HNNXBMFYSA-N 429.550 2.266 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](NC(C)=O)C1 1359298850 NPFRUOTYWLSGAC-SFHVURJKSA-N 449.515 2.007 30 10 IEEE CC(C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1360266057 LLVLCOLQMRKYEL-UHFFFAOYSA-N 436.564 2.444 30 10 IEEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1442503099 GWAXXJGHCVJQMP-UHFFFAOYSA-N 443.525 2.435 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 1445181128 OLLODVIEJBBTGZ-KRWDZBQOSA-N 431.562 2.346 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc([C@@H]4CC(=O)NC(=O)N4)cc3)ccc2c1=O 1453985167 HIKYNPIVNRKYGU-INIZCTEOSA-N 449.492 2.394 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1455078413 LRBSPGZSWPTOQE-DZGCQCFKSA-N 443.447 2.255 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC 1457039179 FUMXOPVGULRYOH-SJORKVTESA-N 439.553 2.387 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCCC[C@@H]3[C@H]3CCCN(C(=O)C(F)(F)F)C3)nc12 1460392512 VKUJOUMJNUNURJ-XJKSGUPXSA-N 436.438 2.462 30 10 IEEE CC(C)(C)NC(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1470670926 AVBGWPKNOYUCQQ-UHFFFAOYSA-N 426.565 2.358 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1471933051 JGOORVJHACRFOI-CYFREDJKSA-N 448.479 2.358 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)[C@@H]2C1 1479456839 LYBITONQBMCRFD-YVTWGWGSSA-N 436.516 2.146 30 10 IEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)cn1 1503390270 FRNJVZQMFIZNRV-IBGZPJMESA-N 430.516 2.028 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1503767579 DVMQVQGZGDDLTM-KRWDZBQOSA-N 440.573 2.444 30 10 IEEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)ccn1 1505200269 DOWIFLHVYFTWRC-UHFFFAOYSA-N 442.570 2.463 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1507519357 RIJALJMYIVYVEJ-JXQFQVJHSA-N 437.544 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCS(=O)(=O)C1 1507544856 DTNOFXHQKLJJFE-DLBZAZTESA-N 432.546 2.148 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507591521 PDQLSMWZMDOTJJ-UHFFFAOYSA-N 442.470 2.081 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C2OCCO2)c1 1507711268 SCXJZHQQCRZNHL-HXUWFJFHSA-N 426.517 2.352 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CSc2ccccc21 1507713629 QXYDXZLINMDZGS-KRWDZBQOSA-N 425.558 2.376 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[C@H]2CCCCO2)CC1 1507718989 JEYAOMFUGWJRRA-QPPBQGQZSA-N 445.608 2.423 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1507732798 XTODTHUEISHFKI-NRFANRHFSA-N 436.560 2.073 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507743645 IAKWOKVFISZJCL-DLBZAZTESA-N 427.578 2.211 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836628 TTZFNSNLVIEAJU-IXDOHACOSA-N 430.553 2.436 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 1507876395 FLCXYCNZGPTQAB-GOSISDBHSA-N 431.924 2.433 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507954981 SZXSZZMISWGPPU-ZWKOTPCHSA-N 433.582 2.196 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507979642 BJCIAIRMVXGHQZ-KRWDZBQOSA-N 444.536 2.484 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1508434815 UOKHZVKBZCYKQZ-FSTVOOFJSA-N 448.568 2.450 30 10 IEEE Cc1ccccc1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1511346443 DSPDIBPEXMGPOC-OXJNMPFZSA-N 433.509 2.010 30 10 IEEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1512104087 COOGHBACKDIKIW-KSFYIVLOSA-N 443.573 2.381 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1517346238 PSOKENNMILFHNO-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1518272192 DDEAECQTMOMOCU-MRXNPFEDSA-N 436.472 2.143 30 10 IEEE COCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1519407252 STMRIMJNINHHKO-OAQYLSRUSA-N 440.548 2.381 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2nccn2C(F)F)cc1 1521089481 FNAOSDREHRIYII-HNNXBMFYSA-N 426.431 2.158 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2COCCO2)CCO1 1521121324 JSLWEFBWJJESLL-IAGOWNOFSA-N 448.321 2.242 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)c1 1527211459 LNVMFYQYVWECRX-LNUHTHKGSA-N 427.486 2.026 30 10 IEEE O=C(CCOCC(F)(F)C(F)(F)F)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1532756240 VEMRRRPJNGMOLL-ZJUUUORDSA-N 426.304 2.460 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)Cc2ccc(C#N)nc2)CC1 1533776426 BCUOJSZCQPFOHT-MRXNPFEDSA-N 426.542 2.241 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 1535414196 BAJZGOOTAWASSA-INIZCTEOSA-N 429.498 2.255 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1OC 1537844863 PAJVVIDFXZHSMP-BEFAXECRSA-N 436.468 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1539024477 UQWGLMRRTHZIPI-HNNXBMFYSA-N 444.586 2.070 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539225407 NNYKOFRPBWBSEG-KRWDZBQOSA-N 434.512 2.378 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1539251439 GVJIEVYDGJUAOL-FQEVSTJZSA-N 443.498 2.383 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCc2ccccc2C1 1539290627 ILCBXJNQSOGMMC-HXUWFJFHSA-N 432.572 2.326 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539407598 IIILMWSVSPMXLS-IBGZPJMESA-N 447.543 2.095 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOCc2ccc(OC)cc2)CC1 1539453884 TXGBJSXABSSZOW-UHFFFAOYSA-N 446.555 2.245 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1539526383 IRAJZLRVBLMOKF-INIZCTEOSA-N 430.530 2.231 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1542224955 XMBJBVZDGMJNOG-HZPDHXFCSA-N 433.582 2.049 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 1543483072 KMZWLSGOIIBENH-QGZVFWFLSA-N 430.516 2.381 30 10 IEEE C=CC1(CC(=O)NCCC(=O)NCCCc2c[nH]nc2C)CN(C(=O)OC(C)(C)C)C1 1543520572 RIKKXMLTXJVZQF-UHFFFAOYSA-N 433.553 2.086 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2N2CCC(O)CC2)s1 1544871935 ABEXNMZINOBZAM-UHFFFAOYSA-N 435.571 2.355 30 10 IEEE COCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1555472511 YWXYXNWXNVUWQM-OAQYLSRUSA-N 428.516 2.321 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 1556266397 HWUDHJWWAUJLJK-UHFFFAOYSA-N 449.442 2.261 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 1557615597 HXNRERWEYJWLHM-GTNSWQLSSA-N 442.324 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](F)C1 1558867807 IWPRFOIUBYLQBE-DLBZAZTESA-N 428.468 2.403 30 10 IEEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1[C@H](C)c1ccccc1 1559456840 RBCPZQNZEKJVHA-MRXNPFEDSA-N 434.496 2.093 30 10 IEEE Cc1cc([C@H](CC(=O)N[C@H]2CCCN(O)C2=O)NC(=O)OC(C)(C)C)cc(Cl)n1 1569675965 LTXQAZFRPGMRRJ-KBPBESRZSA-N 426.901 2.496 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1587568131 NLHVYZSCOFYHPR-YDHSSHFGSA-N 442.564 2.177 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[S@@](=O)CC)c1 1587690094 ZFCRXAPJGUWKFR-HKBQPEDESA-N 438.557 2.108 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCO[C@H]1C 1588581332 NVLXPUMJHPTNKE-YWZLYKJASA-N 449.349 2.334 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1588800965 SWGACZGLWXFTHS-SFHVURJKSA-N 439.564 2.351 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@H]1C 1593702914 ANLUTDAHJSTRHG-CYBMUJFWSA-N 437.342 2.295 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1594229608 QKFJPAKSGRQKIW-LJQANCHMSA-N 443.573 2.247 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1(=O)=O 1595282813 KHHWMIXZTQQREE-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(C)CN(C)C2=O)C1 1595754143 LQCWVOWRNAPXTA-NWFVXXGESA-N 431.581 2.456 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2cccc(C#N)c2Br)CC1 1611051599 PNVGHPOZIGUTJW-UHFFFAOYSA-N 436.306 2.194 30 10 IEEE Cn1c(N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O 1612544922 BRHDBDSTODSKBJ-UHFFFAOYSA-N 428.707 2.242 30 10 IEEE COc1cc(N=C2N[C@H]3[C@@H](S2)[C@H](C(=O)Nc2ccccc2)C[C@@H](O)[C@H]3O)cc(OC)c1 1616175068 MJLNRAVRFYYLLZ-WAPOTWQKSA-N 443.525 2.145 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@H]1C 1616484790 AKOOCFLKUIIECB-RTBURBONSA-N 440.548 2.469 30 10 IEEE C#Cc1cccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)c1 1622746769 NZDYUVYHJJKEOR-UHFFFAOYSA-N 443.525 2.409 30 10 IEEE COc1ccccc1C[C@@](C)(CO)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1623739977 CPZFZHBVBLBNPP-VFNWGFHPSA-N 431.514 2.496 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2=O)cc1 1626695048 NPBPXBIMDVJHBC-GOSISDBHSA-N 430.424 2.183 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)C1 1627632675 HJNOGVSRGOOUOT-AWTNTWDUSA-N 444.454 2.053 30 10 IEEE C=CC1(CC(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1627830752 CDXRUWOFXMXBQB-PMERELPUSA-N 442.578 2.102 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C(=O)OCC)CCc3ccccc32)s1 1628211889 JGIZRYRSNCBGII-NRFANRHFSA-N 448.566 2.276 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCOC1 1634433009 JKIXRHGPNORWMF-NGXFJXMMSA-N 449.548 2.249 30 10 IEEE CS(=O)(=O)c1ccc(OCCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1635415251 ATDBGZNDAJCKFO-KRWDZBQOSA-N 428.514 2.229 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 1636348884 GIICBBGJFWPRGN-WMLDXEAASA-N 434.338 2.407 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1C#N 1638117213 NMBLGVUAKXVDSS-CJNGLKHVSA-N 433.310 2.307 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(I)cn2)C1 1638203793 WQNZGWMGSLAIKW-GXFFZTMASA-N 442.257 2.175 30 10 IEEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1639175172 LRMDJVRLZSSMLV-KUDFPVQQSA-N 439.578 2.056 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(CCNC(=O)OC(C)(C)C)OC)ccc2c1=O 1640723136 KANPKABMYVUUEO-UHFFFAOYSA-N 434.518 2.400 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC12CN(C(=O)OC(C)(C)C)C2 1647764295 LKSKHLMVGDYIRC-AWEZNQCLSA-N 435.427 2.319 30 10 IEEE C#CCOCCN(C)C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 1649057373 SCCINRDAJFMIIX-IAGOWNOFSA-N 428.558 2.444 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1 1671875724 YWWLCBZFCXTSKS-JLAWEPINSA-N 426.521 2.233 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCOCC2)c1 1690083065 ZMTYYABHDQNZRP-UHFFFAOYSA-N 447.587 2.480 30 10 IEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1690228744 DVCFHSJRBVIDAI-XJKSGUPXSA-N 448.321 2.414 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2OC)C1 1690712161 OSAQKUURSVINDN-LJQANCHMSA-N 425.533 2.433 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCS1 1694929099 BMXBGSKPUKCRGJ-GOSISDBHSA-N 426.546 2.007 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1696586386 BWIPXXOUVDLDQD-UYAOXDASSA-N 438.532 2.212 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1697035064 VHEWMHXABVDELG-OALUTQOASA-N 425.489 2.012 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c(F)c1 1697460293 CBRNGUVTHGGCJL-GCJKJVERSA-N 445.495 2.243 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705532941 SMOMXFJWKYWVPV-LJQANCHMSA-N 430.578 2.015 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(F)F 1705623552 WHJBYRJPFWUEEK-UHFFFAOYSA-N 426.489 2.480 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1NC(=O)CC1(C)C 1705626633 DHHHUBDMAGIJRJ-FQEVSTJZSA-N 447.543 2.132 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1705630748 FETBGRLXMFKVCJ-SJORKVTESA-N 439.532 2.421 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC)CC1 1705636068 WUWXMHXARHZTBC-INIZCTEOSA-N 426.590 2.023 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1705700127 OYOYHVQOBPXMQI-ZACQAIPSSA-N 429.487 2.448 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705700441 TZWMCIDSQHIZMT-OALUTQOASA-N 437.610 2.292 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1705764094 NSDMWHQXXAFZLR-GOSISDBHSA-N 431.459 2.154 30 10 IEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)NC)CC1 1705783052 QITFZMLCWPQDSL-UHFFFAOYSA-N 425.505 2.099 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1705791933 INBGLPPMOKRQIF-KRWDZBQOSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1705897680 RFKOCPORJQGOSJ-ZWOKBUDYSA-N 441.532 2.487 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1705902782 JQCJFWWNIZZUCM-SFHVURJKSA-N 441.507 2.323 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1705935557 VNHUQRJKTKFISA-HXUWFJFHSA-N 447.580 2.283 30 10 IEEE C[C@](O)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1Cl 1706901688 HOAAXQLRKHLKMO-LEWJYISDSA-N 446.914 2.404 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1709850102 DOMLVJYSMCWNPF-ROUUACIJSA-N 439.564 2.174 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1712579163 WWQPKUIPPKSHAN-VQTJNVASSA-N 441.532 2.283 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1712686542 WBFIKNDIXATKMW-JXFKEZNVSA-N 433.509 2.066 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC[C@H]2CCOC2)CCO1 1712886042 GTSFLYNHHXLUTM-MSOLQXFVSA-N 445.495 2.168 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCO[C@H]2CCOC2)CCO1 1712886619 YUORZYBNMIIKOS-LEWJYISDSA-N 425.533 2.378 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1722317068 QDEPYIIJQARXMU-HAGHYFMRSA-N 449.621 2.429 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722317113 MPLKBYJBMPBZCD-UHFFFAOYSA-N 440.567 2.458 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1722355323 UGZRLRXKLYWXPV-KRWDZBQOSA-N 426.477 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1722396929 FZCVAVIBRHMCMA-UHFFFAOYSA-N 445.527 2.219 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722530618 ARXSPVMYTKCVAU-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC 1722738751 ORFIXGPNRYYORH-BBWFWOEESA-N 443.639 2.155 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CC1 1730798878 HBMWOTKJPHNAHY-UHFFFAOYSA-N 447.543 2.249 30 10 IEEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(CCO)CCc2ccccc2)o1 1731184687 RSKFSWTUOIYNIO-UHFFFAOYSA-N 434.500 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](OC)C(F)(F)F 1740541643 DIQFODGHWYYEGP-XJKSGUPXSA-N 434.426 2.346 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1(N2CCOCC2)CC1 1740653945 CNTZBLMYQIDFGT-UHFFFAOYSA-N 439.510 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC1(OCCOC)CCOCC1 1740656712 RFGKWDQXAVBARC-FQEVSTJZSA-N 430.549 2.195 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1740660153 IAZYVWSGMSZDMZ-KRWDZBQOSA-N 442.951 2.236 30 10 IEEE C#CCN1CCN(c2nnc(C3CC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1740694878 WSBJILIGUGNLFM-UHFFFAOYSA-N 434.466 2.490 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](COC)C1 1740721452 JMLIOKYISHXFNF-MRXNPFEDSA-N 433.603 2.499 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1740731343 VLOWDBLSOMLMOG-XMSQKQJNSA-N 428.558 2.424 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740882565 PKZPDYXGZRWRLC-MRXNPFEDSA-N 446.939 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1740954388 KXCZNJOTDCJVPV-KRWDZBQOSA-N 428.537 2.137 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccsc2)CC1 1740958057 HRGTYHOYQUMOKQ-SFHVURJKSA-N 430.578 2.206 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC1CC1 1740958550 DLTXPXYBEKCUKZ-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1740985986 WIZFUEOSYFXVEW-XMSQKQJNSA-N 429.496 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C(C)C 1740991187 QDQBVVVJBBJGPC-SFHVURJKSA-N 449.552 2.384 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1740995869 ZZVXANDALUJMNB-UHFFFAOYSA-N 434.610 2.318 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1741805738 DPCMMZCXWFCBCI-BHYGNILZSA-N 445.568 2.313 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4cccn4C)nnc3N(C)C[C@@H](C)C#N)cn2)CC1 1746441105 NITGPGYIGZJCOV-IBGZPJMESA-N 447.591 2.465 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1CCN(Cc2ccccc2)CC1 1748825423 WODDJTBONVWTFF-UHFFFAOYSA-N 432.572 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1NC(=O)CC1(C)C 1748951421 ZOVMYNXEGUPYAW-HNNXBMFYSA-N 449.353 2.036 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1749033086 CTYIHGZBELOFHQ-XGNMISCSSA-N 436.516 2.250 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749033633 KLSVIQWWLKKVNX-NRFANRHFSA-N 446.665 2.143 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nccs2)C1 1749713229 QJZNCWWQRZAJIE-BZUAXINKSA-N 437.591 2.222 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1749911714 IQCVUJLANMHUGY-TXPKVOOTSA-N 442.520 2.010 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1751929382 IPBRZNIVVHSHKJ-INIZCTEOSA-N 440.552 2.341 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1760183555 RGPVTPGIJBKSHB-SFHVURJKSA-N 447.605 2.013 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1760206309 WEPKRARXOLLJSC-FQEVSTJZSA-N 438.553 2.090 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCCOC)CC1 1760333891 HVGLUKMNPUJOOV-DSKINZAPSA-N 447.580 2.232 30 10 IEEE C=CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1760444524 JYIWOMKXVCQRMG-CVDCTZTESA-N 446.596 2.479 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCCC1 1760467298 GDUVRRZNFHLRDK-UHFFFAOYSA-N 437.591 2.249 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1761359969 CUIYSFVELHWTCM-AZUAARDMSA-N 432.532 2.374 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(-c2cccn2C)nnc1N1CC[C@@](F)(C#N)C1 1761580618 ZUWHMIBDZMQLMC-OAQYLSRUSA-N 425.468 2.447 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)c1ccccc1 1764187195 GEJCYTNCXYRFIG-YLJYHZDGSA-N 439.564 2.450 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1 1764994969 BXUCZSCORDHWPM-HXUWFJFHSA-N 449.559 2.371 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@@H]1C 1765373766 RQXNCHFIWWPXPM-RBUKOAKNSA-N 425.581 2.314 30 10 IEEE CCOC1CC(Cn2c(N3CC[C@](F)(C#N)C3)nnc2C(C)(C)C)(N2CCOCC2)C1 1766117058 CEEOVWIQVFIZLG-LPBNZCGVSA-N 434.560 2.287 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1766848728 RZSWIMBDYROCPH-YYDVJCTNSA-N 443.596 2.202 30 10 IEEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)C1 1767516354 XDZGSBJYOPJQLV-HTAPYJJXSA-N 446.502 2.277 30 10 IEEE COCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1770166300 KVPRMVQKLQJELO-UHFFFAOYSA-N 427.553 2.123 30 10 IEEE COCC1(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CCOCC1 1770827895 CUOKNCCWEVRGOS-UHFFFAOYSA-N 428.512 2.367 30 10 IEEE COCCCOc1cc(C)ccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1771060181 ZHYBDLUMDGADHZ-LJQANCHMSA-N 449.515 2.236 30 10 IEEE Cc1ccnc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1=O 1854454846 IUZHPZOUBZMMRY-UHFFFAOYSA-N 426.498 2.022 30 10 IEEE Cn1ncc(N2CCC[C@H](C(=O)OCCSCc3ccc(C#N)cc3F)C2)cc1=O 1854966781 HUULUMLDHBYVGK-INIZCTEOSA-N 430.505 2.484 30 10 IEEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)C2)CC1 1855603821 KFURRQBMQKJARA-MSOLQXFVSA-N 430.574 2.314 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2ccc(Cl)c(Cl)c2)CCN1S(=O)(=O)CC#N 1856113065 OQSUCCQWHCUATR-UHFFFAOYSA-N 432.329 2.229 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1F 1856973393 MUMWKPHJGGLWBK-OAHLLOKOSA-N 429.473 2.078 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862703960 NKDHLJWMTVLMCI-IBGZPJMESA-N 439.424 2.318 30 10 IEEE N#Cc1cc(Br)c(NC(=O)c2cnc3[nH]ncn3c2=O)c(Br)c1 1866224851 HRBHKNIJAYZWFK-UHFFFAOYSA-N 438.039 2.067 30 10 IEEE CCCCCCCOc1cn(CCN2C(=O)CSC2=O)c(CN(C)CCO)cc1=O 1870416687 KDMSTODNMLVXCX-UHFFFAOYSA-N 439.578 2.317 30 10 IEEE C=CCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871529178 MDXPPKSETLJVEI-UHFFFAOYSA-N 433.520 2.150 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(O)cc1 1874434421 DUISGITVSFEBJH-AUEPDCJTSA-N 449.496 2.443 30 10 IEEE Cc1nc(I)c(I)n1-c1cc(C#N)ncn1 1936388254 KCWURFYWBLOFNI-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C[C@H](C#N)N1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2060821663 LNOAGFLCGOSNIB-NTKDMRAZSA-N 441.576 2.212 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](O)Cn2cc(Br)cc(C#N)c2=O)C1 2096020392 FWLJMPOFVDKNFY-WFASDCNBSA-N 426.311 2.490 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CCC 2124496463 UYQFMWCVNUTYJL-GFCCVEGCSA-N 428.331 2.374 30 10 IEEE CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124533966 QSLNHZVYZRDORZ-MSOLQXFVSA-N 446.353 2.319 30 10 IEEE Cc1nc(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247901086 DXHJFMQRVCZVKM-UHFFFAOYSA-N 437.371 2.442 30 10 IEEE Cn1cc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255611035 QYSXFNCMXOWFNA-GOSISDBHSA-N 425.338 2.398 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255650097 NPWARGWWEKSKQK-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2255657270 MNUGVNPGVMINFY-LSDHHAIUSA-N 432.326 2.390 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830490 HDEAYOBKDOKSMV-DZGCQCFKSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256626714 NGEFCKJERJRWRB-QLPKVWCKSA-N 429.326 2.432 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2256674510 KMURFYDOSQNTCT-HNNXBMFYSA-N 434.342 2.366 30 10 IEEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2267173886 AZCVJMSJOVCMIR-GOEBONIOSA-N 446.357 2.151 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267263072 AGOWJZXGHYWLQL-UHFFFAOYSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267269250 CTWULBRUCFCAAC-IRXDYDNUSA-N 449.332 2.458 30 10 IEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2267484396 ALGLEBYXDMBZCT-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CO[C@](C)(CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267508056 ZBDLHKFZQJQVSP-HSZRJFAPSA-N 443.353 2.071 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)c2)OC1(C)C 2267584392 GBTPSQYHEGLVTE-FQEVSTJZSA-N 439.365 2.335 30 10 IEEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268651028 MXMVTEFTBPAEMA-RKVPGOIHSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268706212 MPGQBDMBGYEPJH-SFHVURJKSA-N 446.353 2.104 30 10 IEEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271394641 KLVMSPDMBQZRLL-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271396311 WDBHDRIDFRPYMG-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE CCc1nnc(SCC(=O)N(CC)CC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2320922029 FRYHSLGHNBAHMY-UHFFFAOYSA-N 448.505 2.363 30 10 IEEE COc1cc(C=Nn2c(S)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc([N+](=O)[O-])c1O 2322123030 CWONPYCHYWQXMY-LLVKDONJSA-N 434.478 2.186 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccco3)CC2=O)cc1 2325882626 REZJDQPAUNEHGM-CQSZACIVSA-N 427.486 2.367 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337301821 PGTBQLICZDWZMW-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE N#Cc1ccc(C(=O)N2CCC(N3CCN(Cc4cccc(F)c4)C(=O)C3=O)CC2)cc1 35376425 BPDQNTTYTHQQBD-UHFFFAOYSA-N 434.471 2.173 30 10 IEEE CCNC(=O)CCSc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 59817957 DOEYTZRCZASINC-CIAFOILYSA-N 444.521 2.111 30 10 IEEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)c1 102498706 BXLMHOFNMMDNHX-GOBJLOIFSA-N 426.469 2.432 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NC(C)C)[nH]1 253570097 NDZKNOHFYPWZQE-SRZZPIQSSA-N 441.565 2.428 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 409588715 ILFPXKHDBKJIFS-IUODEOHRSA-N 432.340 2.369 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 433643241 SNICIKJXYNIYLH-UHFFFAOYSA-N 443.478 2.482 30 10 IEEE Cc1ccccc1Cc1nc(CS(=O)(=O)C[C@@H](O)COc2ccc(C#N)cc2)no1 434875631 GSSYIHDILPJXHC-SFHVURJKSA-N 427.482 2.195 30 10 IEEE Cc1ccc(C(=O)NCCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c(O)c1 436957061 RLDIJOMFQNPVLG-SFHVURJKSA-N 438.509 2.232 30 10 IEEE CC1(C)NC(=O)N(c2cccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)C1=O 463924783 HQCGFYMMDAHBPU-UHFFFAOYSA-N 433.472 2.142 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 466103109 MIJVRORDSUIDBM-UHFFFAOYSA-N 448.932 2.307 30 10 IEEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 482504604 HVXKQKKCMZLPRP-GOSISDBHSA-N 447.561 2.205 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 491000817 XLBBTWKWKAZFSU-NQIIRXRSSA-N 430.512 2.205 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)cc1 504713941 ZAVAPZILJMFCSM-UHFFFAOYSA-N 436.424 2.262 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cc(OC)ncn2)CC1 508808721 HWTCFHQPVCXOED-UHFFFAOYSA-N 437.504 2.274 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 508913928 QSSWROMORHCHNL-IBGZPJMESA-N 431.562 2.181 30 10 IEEE CCc1c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cnc2c1c(=O)n(C)c(=O)n2C 513781447 OEKRLPUAJHTJGQ-GOSISDBHSA-N 433.512 2.487 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 520861887 IQZOHISOKFCVOT-UHFFFAOYSA-N 436.511 2.360 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N3CCC(C)CC3)cc21 526842620 UIVSHPWKQAZOQH-JTBPQFFMSA-N 432.542 2.176 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 535896529 SWOGIEPMZDNAOA-QGZVFWFLSA-N 430.476 2.239 30 10 IEEE COc1ccc(Br)cc1[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)O 547940894 DIBUQPWDBUSUBO-OAHLLOKOSA-N 425.260 2.434 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 549273309 XRKPFZKXKGQPOJ-KRWDZBQOSA-N 430.452 2.428 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc4ccccc4n3)C2=O)cc1 559648057 KAZJEKDXKHEIAF-OAQYLSRUSA-N 427.464 2.034 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)C2)nc1 561102748 YEVGJEKAGSYAHN-LBPRGKRZSA-N 443.257 2.340 30 10 IEEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 566393856 BOYQXWOXPDKAHY-UHFFFAOYSA-N 446.533 2.371 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@H](OC(F)F)C1 574201572 BYSBJZLBKNDRCQ-SFHVURJKSA-N 446.502 2.240 30 10 IEEE O=C1ONN(c2ccccc2)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCSCC1 585673524 GPKZUAPADJFSHR-QHYCYFEBSA-N 436.493 2.210 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N(C)Cc3ccccc3)cc21 586315056 VCJSYBVSNIDWQI-HKBQPEDESA-N 440.521 2.188 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(-c2ccc(F)cc2)c1=O 642093466 OYXNQSPXRHHGBG-UHFFFAOYSA-N 448.454 2.297 30 10 IEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCN(Cc3nccn3C)CC2)c1=S 729983478 UFELJHWONKBVAK-UHFFFAOYSA-N 444.653 2.137 30 10 IEEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730716915 BRMKXWGGYFKAGF-SWLSCSKDSA-N 444.492 2.101 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795615 PNIHMNIGDMKSJM-UHFFFAOYSA-N 447.564 2.110 30 10 IEEE COC(=O)[C@H](OC(=O)c1cc(Cl)c(-n2cnnn2)cc1OC)c1ccc(C#N)cc1 740217965 NPVGEOISFFEPIL-QGZVFWFLSA-N 427.804 2.267 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 747335845 IXGSRQYYKOQQIB-UHFFFAOYSA-N 428.514 2.139 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC1 750046255 VQJLPLCXFWDSBH-HFSMHLIXSA-N 427.574 2.369 30 10 IEEE C#CCn1c(=C(C#N)C(=O)Nc2c(CC)cccc2CC)sc(=Cc2ccccn2)c1=O 758074923 CUTBWPKEJVKZII-UHFFFAOYSA-N 442.544 2.205 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)OC)cc1 766160395 LAJYQSXUYBZVFP-IBGZPJMESA-N 428.510 2.268 30 10 IEEE C#CCCN(CC(F)(F)F)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 767151586 CLOOSPHBDKUHCB-IBGZPJMESA-N 425.407 2.185 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 767400175 TZGWZQAMDCBCED-INIZCTEOSA-N 428.514 2.046 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CCOCC)c2=O)cn1 767882817 HRSONICBRYHSRL-UHFFFAOYSA-N 442.585 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 782570868 WGKGBVBOZWQMBC-GOSISDBHSA-N 442.516 2.196 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)c2ccncc2OC)C1=O 783507552 ILJQLBDYTFDHJJ-YVEFUNNKSA-N 441.513 2.018 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790354840 HVGLJUCOZYOFAN-UHFFFAOYSA-N 448.548 2.004 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 790843239 SGRSCWGCVQFVAP-IXDOHACOSA-N 438.546 2.223 30 10 IEEE Cc1nc([C@@](C)(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)no1 817630126 FXPJZHTZCITMIC-NRFANRHFSA-N 445.545 2.419 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)C(C)C 925932343 JHCOMFBEOLHDIY-YJBOKZPZSA-N 426.473 2.156 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1124631158 BYAAKKQIKLOLOX-UHFFFAOYSA-N 433.530 2.322 30 10 IEEE Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1124650012 CNWBXXFJCLEVMC-AWEZNQCLSA-N 428.518 2.125 30 10 IEEE N#C[C@@]12CN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)C[C@H]1CS(=O)(=O)C2 1134052571 HWORRFIXHQUBNK-QFYYESIMSA-N 427.960 2.464 30 10 IEEE C[C@@H]1Cc2cc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)ccc2N1S(C)(=O)=O 1134507676 WMMNJQRHVVTXDE-QVKFZJNVSA-N 425.510 2.483 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1141970446 MQGKMFQPWCDYIB-QAPCUYQASA-N 437.562 2.421 30 10 IEEE C=CCC1(C(=O)N2CCC(n3nncc3I)CC2)CCOCC1 1166780785 BHCWWHXRPVXRQO-UHFFFAOYSA-N 430.290 2.419 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)c1 1178557356 MVBGFGWRIVOKDL-SXLOBPIMSA-N 433.526 2.056 30 10 IEEE COC(=O)C1(CCCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1 1179991258 UJXNCSQVDPBYQS-GOSISDBHSA-N 440.500 2.393 30 10 IEEE CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(Br)c(C#N)c1)CC2 1209998571 FFDWXUILEONFKJ-HZPDHXFCSA-N 429.336 2.261 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1225937232 IIIADIZOLHGWLJ-VIQHNZTISA-N 449.552 2.158 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1264271991 CMFWAMVOAFDCSO-UHFFFAOYSA-N 433.350 2.481 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NCCC 1286375365 WQJGLRHKCPNLDH-UHFFFAOYSA-N 432.569 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2cnn(C)c2)CC1 1286472700 CCVWNXOAGVTAST-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286508757 VLSWQCCJHAMQAX-SFHVURJKSA-N 427.574 2.405 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)CC1 1286650028 VCBUQWVXDVBSPK-UHFFFAOYSA-N 425.468 2.306 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1286715758 SONOLJIXVUHHDO-UHFFFAOYSA-N 432.912 2.326 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1286787051 BHPKLQGETQVMQV-RBUKOAKNSA-N 443.573 2.132 30 10 IEEE C[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1291052595 VVJNYJXZNZALPC-IRXDYDNUSA-N 446.577 2.293 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cccc(C(=O)NC(N)=O)c2)C1 1296843246 DUBDRCJGSLOOGU-UHFFFAOYSA-N 442.273 2.204 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1)c1cc[nH]n1 1297759728 DYAOISXGMLGAMT-UHFFFAOYSA-N 442.394 2.293 30 10 IEEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)c1ccc(F)cc1 1298347781 GWPCUDQVUBMDAI-QGZVFWFLSA-N 436.530 2.385 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1 1299401693 DJYOWJDTFZYNSQ-ZWKOTPCHSA-N 425.489 2.155 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300497554 ZYQMXONZMUSIKB-MSOLQXFVSA-N 436.578 2.106 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300883669 DHOGEHHYPUTPMG-DSKINZAPSA-N 430.597 2.173 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1301596689 VZYJSUJXRHQLQB-KRWDZBQOSA-N 434.610 2.318 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC(=O)N1 1301773988 ODESEBNOQIKTDN-OAQYLSRUSA-N 445.527 2.067 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1 1302493622 AUQAGVVUUFXIEE-UHFFFAOYSA-N 427.534 2.106 30 10 IEEE C#CC1(F)CN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3cc(OC)cc(OC)c3)c2)C1 1303141876 HGRDSAVMQLMJLD-UHFFFAOYSA-N 448.472 2.311 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C(F)(F)F)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305136605 QEEAYBMTQIHYMR-NAFRVWLBSA-N 442.442 2.084 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(N(C)C)ccc1Br 1309654392 JXCFBICFCFBLGO-UHFFFAOYSA-N 431.352 2.481 30 10 IEEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1314638141 NCRDVGSDRZPMTH-PMACEKPBSA-N 449.559 2.038 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1315693215 BIRQZMWVVWGGOF-RBUKOAKNSA-N 429.546 2.399 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(C)CC1 1316202721 DAKFREMRICQNON-QGZVFWFLSA-N 442.568 2.042 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCc2ccccc21 1316269904 PJZDSQSWONTHQQ-ABCMFVKFSA-N 425.533 2.432 30 10 IEEE CCN(CC)c1ccc2cc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c(=O)oc2c1 1351734983 DSGTXLZLKVANBO-UHFFFAOYSA-N 436.472 2.323 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1358919206 VTJWFQPMOOXVQP-UHFFFAOYSA-N 440.592 2.402 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358966535 RGNWWQIMIHMYHS-ICSRJNTNSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1(OCCOC)CCOCC1 1358974597 LCRMJWBEPALWOS-UHFFFAOYSA-N 433.512 2.102 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C1CC1 1358983790 WSGKUZAIJWQGGW-WLENULPWSA-N 427.549 2.283 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)CC 1359068039 LTCSROSTVCNRMJ-JOCHJYFZSA-N 438.557 2.425 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359125818 UQCTUMXYCWMDPV-SFHVURJKSA-N 427.553 2.354 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359186460 GZZAFZIPVHMURB-UHFFFAOYSA-N 441.580 2.460 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359224572 WKHIBFHQZFLRDH-QHCPKHFHSA-N 438.532 2.352 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359228771 NUYHKRRELAAZBA-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359300586 GGOQODDXEKXEDO-QKLQHJQFSA-N 440.548 2.012 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)C1 1359311138 RKFRMRAHKPZFQE-CQSZACIVSA-N 433.463 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)CC[C@H]1C 1359326465 ATBHTOILIMPEEG-JKSUJKDBSA-N 425.599 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359329478 KIFQPZMOUAJSET-MOPGFXCFSA-N 446.573 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359330468 SOKAGHAHYDEAET-IBGZPJMESA-N 440.573 2.031 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1359339571 JUPKNQHBSZZCOK-OAQYLSRUSA-N 429.546 2.337 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)cc2C1=O 1439311645 JVEXTHSTGYQFAW-UHFFFAOYSA-N 446.507 2.100 30 10 IEEE N#CCN1CCC(CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1444000565 LKNBOGLREMTCHY-UHFFFAOYSA-N 442.379 2.355 30 10 IEEE Cc1cnn(-c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(N)cc2F)c1 1447488254 UDALKXGIHYTRLF-SUMWQHHRSA-N 428.468 2.391 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 1450021167 AEIRGBSCGOGKRM-OAHLLOKOSA-N 447.504 2.429 30 10 IEEE C=CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1453963886 DGZAKHRKPRLJQF-ZDUSSCGKSA-N 431.352 2.412 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CCO2)cc1 1456479203 VFGHOJGHDKLLJT-QGZVFWFLSA-N 428.832 2.450 30 10 IEEE Cc1nccnc1N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1467392079 UHJQVYSFSWBFCX-FRIYVGAWSA-N 440.548 2.221 30 10 IEEE N#Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C1CC1 1471552370 JNBGIKAWQLIBOS-DFQSSKMNSA-N 429.542 2.484 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC3CCCC3)CCO2)cc1 1472149637 XCCCVTQEXLIPRP-SFTDATJTSA-N 440.544 2.179 30 10 IEEE C=CCC[C@@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1479052887 LITNAAPCMDNGGU-KRWDZBQOSA-N 444.536 2.418 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1492321022 VNOSEHIMDMSWKV-BFQBXFRASA-N 449.515 2.288 30 10 IEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1497175597 QUIIZGNREGNIDD-OWYHZJEWSA-N 446.577 2.057 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1501805621 CCHFEQADLDDCTF-YWZLYKJASA-N 433.557 2.442 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507592368 ZONHVYTZTLIXEF-UHFFFAOYSA-N 438.551 2.166 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)N1CCOCC1 1507604864 NTYDKCXFMRZHLX-UHFFFAOYSA-N 435.370 2.226 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(NC(C)=O)nc2)CC1 1507724125 HQKGUUXLZGDPHP-UHFFFAOYSA-N 443.555 2.334 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1507750505 XFSUSTDBBUWUTA-NVXWUHKLSA-N 443.577 2.451 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1507753019 BOTWXGYHVMWONK-INIZCTEOSA-N 427.530 2.003 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507884447 UQPDZVUNQHMDMO-GOSISDBHSA-N 429.546 2.001 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(OC3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1508099065 UCAKOCYAQTXVRS-QHCPKHFHSA-N 447.580 2.160 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1508100188 GFRJSARSPIXYFJ-PKOBYXMFSA-N 425.533 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1508140330 HYPQLKPZSLASDY-PKOBYXMFSA-N 448.593 2.238 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1508160400 UGKOEJSVTWEQHZ-CABCVRRESA-N 434.591 2.491 30 10 IEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1519914371 BQHXFWHOKZHQCP-UHFFFAOYSA-N 426.546 2.183 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCc2ccco2)cc1 1521101623 FRHLBILFTVHXIV-UHFFFAOYSA-N 445.483 2.378 30 10 IEEE COc1cc2ncn(CCCC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)c(=O)c2cc1OC 1532954470 MZNVNIIVDBMBGG-SFHVURJKSA-N 432.480 2.349 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1538972775 LMBRSRIVEHODAT-QWRGUYRKSA-N 446.396 2.219 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1539190846 UHESTCLRUNKVMP-QFIPXVFZSA-N 425.577 2.498 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1539210821 GPJCSVRSDRWRHF-INIZCTEOSA-N 448.932 2.096 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(CC)C1 1539284568 RJYANRSAFOOPOA-AQNXPRMDSA-N 440.592 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1539326597 XMYLHCXBRWRNKW-JOCHJYFZSA-N 443.507 2.309 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)CCC(C)C)CC1 1539459870 QQYUGSLFCHFQFZ-HSZRJFAPSA-N 427.597 2.082 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCOC2)CC1 1539474418 QFFJYSRYEFJCOJ-MRXNPFEDSA-N 442.951 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CC2)CC1 1539488596 MOJMKPZOGJOGCN-UHFFFAOYSA-N 441.605 2.001 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCCOC1 1539504557 KDPGOGCXEBXBNT-KRWDZBQOSA-N 438.561 2.150 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1540868318 ACCWGZTZHNGGRV-QGZVFWFLSA-N 448.531 2.134 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1540904879 OZISCOWCOXJJEW-AZUAARDMSA-N 445.589 2.464 30 10 IEEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)n1 1543366540 DJAIQUFTFSKHFI-OAHLLOKOSA-N 436.520 2.162 30 10 IEEE C#CCN(C(=O)Cc1c(C)nc(O)nc1O)[C@@H]1CCOc2ccc(Br)cc21 1543685700 MESPZZSXEWSHOA-OAHLLOKOSA-N 432.274 2.487 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](F)COC)C2)CC1 1547723276 GBQWTLRGDZXBEM-SFTDATJTSA-N 441.555 2.017 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)ccn1 1561470795 AJBLUAYWEXLQHK-GOSISDBHSA-N 432.498 2.219 30 10 IEEE C#CCN(C(=O)NCC(F)(F)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1565109099 AKUOQGCNWJVHEJ-AWEZNQCLSA-N 435.290 2.373 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)c2c[nH]c3cccc(C#N)c23)CC1 1565769343 YOHMSUWAEZGHFE-UHFFFAOYSA-N 428.436 2.468 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1567507643 IOHIMVXUHOIQJC-SQZREULQSA-N 432.480 2.051 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1587621548 WWJBHMVVYFUXRI-HXUWFJFHSA-N 443.555 2.455 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588045817 RDEHYGMMUWCPNC-XMSQKQJNSA-N 445.589 2.154 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1588672198 BTDMMWULIYMMCN-SIKLNZKXSA-N 445.589 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CCC2)CC1 1588752038 PLXLCTNNUMKAPI-QFIPXVFZSA-N 433.622 2.360 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2oc(CC)nc2C)CC1 1588864605 HUSUYTJRAJZIHX-UHFFFAOYSA-N 445.527 2.391 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589097472 PZEIKYJGIULPNI-LJQANCHMSA-N 436.628 2.312 30 10 IEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594752887 SYPXWLPZROLSEP-IBGZPJMESA-N 438.532 2.339 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 1595477471 VMSOLMKEAVEUGI-QZTJIDSGSA-N 441.532 2.336 30 10 IEEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC1 1597410026 NYIDFMJMSRIFHG-UHFFFAOYSA-N 442.564 2.048 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)cc1 1597722272 LHUDJUARNWZVJX-UHFFFAOYSA-N 425.470 2.252 30 10 IEEE Cc1cc(NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)c(C#N)cc1[N+](=O)[O-] 1611967023 BPUWYIOFIJQBLK-UHFFFAOYSA-N 429.502 2.323 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2Cl)cs1 1612412542 ROHYNDIYFMLIAB-HNNXBMFYSA-N 445.936 2.490 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1617800600 PSIFVXCXSWPFJE-UHFFFAOYSA-N 439.564 2.472 30 10 IEEE COc1ccc(-c2nn(CC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2C=O)cc1 1626708388 LZESCEWGIKCPHQ-UHFFFAOYSA-N 444.495 2.423 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1626974206 DQVOLVMAWPYMFF-HARLFGEKSA-N 433.508 2.207 30 10 IEEE CC(C)C[C@@H](CN1CCCC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1628740558 IJWXLNZWFKHMKP-ICSRJNTNSA-N 425.533 2.390 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)C1 1629001334 DUYALPJGJOMHQR-QGZVFWFLSA-N 449.374 2.281 30 10 IEEE COc1cc(C(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)ccc1C#N 1633335208 BFZRFOKDFMGHMO-GOSISDBHSA-N 442.516 2.251 30 10 IEEE CC1=C(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)S(=O)(=O)CCO1 1636463634 LJLSGXHBPXNWPB-OCAPTIKFSA-N 443.312 2.292 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1638326250 CMFKXKONVGZYOO-UHFFFAOYSA-N 444.557 2.308 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c1 1638718725 CNKLDUZIGFKTGO-QGZVFWFLSA-N 441.431 2.095 30 10 IEEE C[S@@](=O)(=NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(Br)c1 1647899119 ZHYPWTRJWQNFLW-DACFSCGWSA-N 426.292 2.349 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1 1648316445 REOIDNMAHRFJRJ-AQNXPRMDSA-N 435.613 2.161 30 10 IEEE CN(C)CCn1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc1=O 1648694546 WVQCDMOCYJWTNT-BNGSBABLSA-N 443.548 2.135 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1cc(C#N)c(Br)cn1 1651187608 VOPNLIQWHUSIGR-UHFFFAOYSA-N 442.317 2.380 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](Nc3ncc(Br)cc3C#N)CC2=O)C1 1651492502 LRJQMRNDCWLAID-CYBMUJFWSA-N 436.310 2.348 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 1665337236 KMFGTOARWZYYPV-GOSISDBHSA-N 435.546 2.420 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)c(C)s1 1683590446 QDIKCNMTYYZQER-LJQANCHMSA-N 444.582 2.420 30 10 IEEE C[C@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(S(N)(=O)=O)cc1 1685541516 CJLYZDPIHMDXAN-INIZCTEOSA-N 441.557 2.230 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCSC1 1690086912 CTBQSEZVWADXNX-OAQYLSRUSA-N 431.537 2.063 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1690097449 HVRWGBZEOCEUFM-UHFFFAOYSA-N 429.830 2.363 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690284702 SDPICLYAEHPZMY-HNNXBMFYSA-N 447.565 2.091 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1690665945 URMHJCIPHWPJPI-KRWDZBQOSA-N 440.529 2.290 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690740172 LJYWOZZWYHQTCX-UHFFFAOYSA-N 435.561 2.191 30 10 IEEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1692352983 ARVZWQRJNAMVCJ-SFHVURJKSA-N 433.520 2.395 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1692551888 XQIHMGRKWSJFKF-UHFFFAOYSA-N 425.537 2.082 30 10 IEEE CCOCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1696437180 YAPGYDIUIGWJOY-HSZRJFAPSA-N 441.555 2.121 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698386089 XKUCVKXQLGMKEK-YUMLTWSLSA-N 446.577 2.030 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1F 1705541855 TVBIRXKSXQAZLG-AWEZNQCLSA-N 425.555 2.030 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1705569206 DPCKXVNTURKKGI-HXUWFJFHSA-N 444.605 2.067 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)CN1CCOCC1 1705606944 LGLOTFLLHZUHJB-SFHVURJKSA-N 427.549 2.390 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1705625806 XIOOUZMFYBBJOL-WTPASJBYSA-N 443.548 2.309 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705693449 GRJAPFMMHCFRHQ-TVFCKZIOSA-N 442.568 2.305 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705703238 SDVIIWLSZZZYGF-OFNKIYASSA-N 446.640 2.448 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705836768 FPCBHDOBSGAACT-DYESRHJHSA-N 432.546 2.309 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705906664 LUARRJSALYDDOL-IAGOWNOFSA-N 430.528 2.217 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705907139 BEZZMCNTBDNLLY-QUCCMNQESA-N 425.533 2.207 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1706746974 GUFDFEZMFKRAQD-PKOBYXMFSA-N 425.537 2.190 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1706937584 NOBGVLWUQOQOQL-DLBZAZTESA-N 438.523 2.268 30 10 IEEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1711115488 FEQLDKLUFPOCFI-UHFFFAOYSA-N 437.529 2.159 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C(C)(C)C 1711578856 DBPGQCBGQNEGDX-FUHWJXTLSA-N 426.521 2.101 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1712130000 DPNCWEUVKDYJJZ-MRXNPFEDSA-N 446.577 2.218 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722362819 OXZAGRMSUWQLIP-MSOLQXFVSA-N 446.573 2.396 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1722459766 QPQYBWBQNXPLDC-QGZVFWFLSA-N 434.562 2.248 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1722471949 XFEFFYNRMUFJQU-QMHKHESXSA-N 439.516 2.295 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CO)CC1 1722501575 GFISHXAMLBSFDR-XLIONFOSSA-N 445.589 2.460 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722509201 NXXOBOJVNGDKTB-IEBWSBKVSA-N 437.610 2.435 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722509483 PJLZZPYEEUHHFF-NNIGNNQHSA-N 438.594 2.023 30 10 IEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1722530878 ZYSBBLHFZOEUME-FQEVSTJZSA-N 436.516 2.037 30 10 IEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1722739443 VQQGNXFXTFNHHY-INIZCTEOSA-N 439.582 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCC1 1722985394 BNNWJXBBCZBFPG-KRWDZBQOSA-N 446.552 2.241 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1724279705 FYGQKRHJWPSZDM-UTKZUKDTSA-N 429.546 2.071 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCCO 1724658687 XXHLVXNABHYJNA-UHFFFAOYSA-N 448.527 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1740535648 SSEDTWCUACZSTB-MBSDFSHPSA-N 435.532 2.406 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(F)(F)C1(OC)CCOCC1 1740612617 WBBTVKATFKDYOZ-UHFFFAOYSA-N 444.486 2.417 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CCOC)CC1 1740631111 PXSAZYXHPUSHDA-UHFFFAOYSA-N 426.542 2.238 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2OC)CC1 1740690184 OWYIOEQINHSTBA-UHFFFAOYSA-N 445.527 2.046 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(CC)(CC)OC)CC1 1740693273 WEDZOBSIUDBUMW-QHCPKHFHSA-N 433.597 2.279 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccccc2F)CC1 1740841750 YWZQYSBDWQKLII-UHFFFAOYSA-N 440.523 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1740956685 XYDOOORZWYWKCC-SFHVURJKSA-N 449.559 2.242 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740994826 UPTOONVLMUUQRR-HNNXBMFYSA-N 436.500 2.379 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1741128665 AGPVQBHAPPLRQC-MAUKXSAKSA-N 444.609 2.174 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccc2F)CCOC1 1741733378 VOPULHURXQVDSC-GCJKJVERSA-N 429.496 2.429 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O)N(C)C1CC1 1741835404 YSLPXHWNQDXCIH-MRXNPFEDSA-N 430.578 2.170 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4)n3CCCCCO)CC2)c1C#N 1742668594 DFIRHHCFTVQQAU-UHFFFAOYSA-N 434.548 2.348 30 10 IEEE CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1747410940 GXPRBWYLFGHHPA-ROUUACIJSA-N 447.561 2.198 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1747862512 CPWLKLLOGKBKDR-MSOLQXFVSA-N 429.546 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1748639586 JQTSTWBWNKXIDW-CZUORRHYSA-N 428.562 2.493 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2ccccc2)CC1 1748971711 ZNPLXKBDHOCFOW-UHFFFAOYSA-N 438.601 2.452 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OCC)cc2)CC1 1748979136 VMMCSSRNNGVWAW-DEOSSOPVSA-N 439.560 2.132 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749358049 BGZCKAULFNPSCB-LJQANCHMSA-N 440.596 2.024 30 10 IEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1749437430 GNYOFJREABLJFU-UHFFFAOYSA-N 437.541 2.434 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(N)=O)C1 1749689208 FMSXKIKIGBBREL-LJQANCHMSA-N 435.532 2.064 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC(C)C)C1 1749713551 USKWSAKASOJDGB-OPYAIIAOSA-N 440.610 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCOCC1 1749724219 HWVGENKPZHGLJS-UHFFFAOYSA-N 427.530 2.239 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749755039 CRMMCOAONREUEC-SFHVURJKSA-N 434.610 2.429 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2COCCO2)CCO1 1750387649 XZKSCABDEWWTPT-IRXDYDNUSA-N 448.321 2.242 30 10 IEEE C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1751178555 HSKIJOUTCHFWMC-INIZCTEOSA-N 425.493 2.314 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C(C)C 1760196446 NYHKTYAJWUJADV-QFIPXVFZSA-N 442.589 2.026 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(C(N)=O)CCOCC1 1760237837 XOXMIYXENJWYJO-UHFFFAOYSA-N 425.533 2.216 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760250480 IVFKCQDLUOAFCL-CVDCTZTESA-N 428.508 2.432 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1760258688 BDAJCSGQMIYLSC-VGSWGCGISA-N 429.952 2.098 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(CCOC)no1 1760335883 RWUCLROFRADOMX-DNVCBOLYSA-N 427.509 2.463 30 10 IEEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](CNC(C)=O)C1 1760378913 BNNPPHBATIOHMI-GOSISDBHSA-N 428.924 2.375 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1760433554 UDYKTEIEXHIGCT-MRXNPFEDSA-N 438.623 2.238 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCc1cnn(C)n1 1760484474 AGXDKGTVBXHXHJ-LJQANCHMSA-N 438.511 2.322 30 10 IEEE CCCN1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1764480744 YBOXUSPLRWDRAR-OALUTQOASA-N 425.493 2.456 30 10 IEEE CCOCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1766284239 LSEVPVUADWYLGA-UHFFFAOYSA-N 440.426 2.222 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N(CC)CC 1766395934 HBROOBURHSQWJP-SFHVURJKSA-N 426.569 2.138 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1767625136 APQIDRIJPXXXSC-MBSDFSHPSA-N 438.532 2.118 30 10 IEEE CN(C)c1nccc2c1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)C2 1768502232 OEHAXXGWSPOTDT-UHFFFAOYSA-N 447.543 2.239 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1770029702 IRDXDBDHWFFAEK-KRWDZBQOSA-N 437.504 2.072 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1770077116 QEJGOHQPCWABAD-HXUWFJFHSA-N 434.500 2.451 30 10 IEEE C=CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C)C1=O 1849168253 XQXCZUKOSJJDOR-QZTJIDSGSA-N 439.965 2.129 30 10 IEEE N#CCC(=O)O[C@H](CN1CCCC1=O)CS(=O)(=O)Cc1cccc(C(F)(F)F)c1 1852208325 XNPZICBZCQJUSM-OAHLLOKOSA-N 432.420 2.068 30 10 IEEE N#Cc1ccc(C(=O)N(CCCN2CCCC2=O)S(=O)(=O)c2ccccc2Cl)cn1 1852736849 DSEFATLCXNTNDI-UHFFFAOYSA-N 446.916 2.450 30 10 IEEE N#CCC(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1c[nH]nc1-c1ccc(F)cc1 1853458211 KVPZZYLDXXMYAM-UHFFFAOYSA-N 433.509 2.274 30 10 IEEE C=CCN(Cc1cnnn1C)C(=O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1853579348 WSOJCIVCQUJZTI-GOSISDBHSA-N 439.438 2.302 30 10 IEEE COc1ccc2nc(N3CC(C(=O)N4CCC[C@H](N(C)CCC#N)C4=O)C3)sc2c1 1854306720 USFDHVLRYYTDTJ-KRWDZBQOSA-N 427.530 2.104 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)C1 1854622835 XUWZQEQWTMBFMR-AWEZNQCLSA-N 445.994 2.192 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(O)c2)c1 1862554795 LAVGSXAVTMKNRO-OAQYLSRUSA-N 437.496 2.275 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 1862606222 MXIZMZJXFUSLGE-FQEVSTJZSA-N 440.427 2.311 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862705821 HROULDGKBRNLBQ-SFHVURJKSA-N 428.397 2.270 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)cc2F)n([C@H]2CCS(=O)(=O)C2)n1 1870005076 WCPOKSRVIPYFIN-AWEZNQCLSA-N 437.472 2.347 30 10 IEEE C=CCOc1cn(CCN(C)C)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1870812632 GGLCZELHBCJGAP-UHFFFAOYSA-N 425.577 2.339 30 10 IEEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230942 UAIUDZRKZOZLFT-UHFFFAOYSA-N 447.543 2.128 30 10 IEEE CC(C)N(CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(C)C 1889850918 IMJYUFVNOXZYMP-LJQANCHMSA-N 437.581 2.465 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)CC1 1890175835 YLASAPBJCMSZOT-QFIPXVFZSA-N 427.589 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](N)C#CC1(S(C)(=O)=O)CC1 1902434365 YQDJUPLEKYJOHW-RTBURBONSA-N 436.574 2.395 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2009848536 CEWAYOMWZRPMHW-SZNDQCEHSA-N 441.525 2.426 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060622638 CBKATTVHJLPKHH-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2060633774 RISPYXCOJWNCJA-UHFFFAOYSA-N 435.334 2.194 30 10 IEEE N#Cc1cncc(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1 2118167253 AYPSULYBRVAZQQ-HNNXBMFYSA-N 428.392 2.089 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2124535727 NSYHFNXDQIYMQA-BPUTZDHNSA-N 444.341 2.217 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1 2178407135 JOPCYRREMUHPDL-UHFFFAOYSA-N 442.144 2.283 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2224096514 HLEUSZDWXBQWSF-UHFFFAOYSA-N 433.358 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247855478 SSQCOXCZRVGATK-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@H]2CCOC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255540931 UMASHJIIRQWVOQ-SFHVURJKSA-N 425.338 2.459 30 10 IEEE C[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255807011 NOGIZYMAMGTWNJ-YPMHNXCESA-N 430.232 2.108 30 10 IEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N(Cc2ccccc2)C2CNC2)OC1(C)C 2255933414 OUQZYDGDTCAJRR-UHFFFAOYSA-N 446.353 2.288 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2257486218 FUNXTROXBHOCHE-GDBMZVCRSA-N 431.342 2.332 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267120928 RBVAGYVZVVDSIU-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126540 MEPPJCHDTMMEON-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(CNC(=O)OC(C)(C)C)C1 2267126909 OHNCLKUAIRTDPB-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1)C(=O)OC(C)(C)C 2267175414 LPSUDFIYKVCCEO-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267185652 YHKIBDCQNRKZEV-LJQANCHMSA-N 438.381 2.313 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267186027 DLONQCOFQVLBMR-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267499129 ZPVWIPMLIVFKAQ-JKSUJKDBSA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]2C1 2267519621 JLNPZKKCCVLGFW-GJZGRUSLSA-N 446.357 2.038 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267547355 JEWFQHFZZBQUTD-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268706061 LROBORDFFHSBPX-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(CC(=O)N(C)C)Cc1ccccc1 2269712938 JSNWAUMOCRHQGV-UHFFFAOYSA-N 437.349 2.420 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334262103 WBBQPGYQKVAPQF-FMKPAKJESA-N 446.357 2.227 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)n1C 2337399779 KEQONYFGOHDPGO-IBGZPJMESA-N 438.381 2.374 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1ccc(-n2cncn2)cc1 16584506 UJEZPOQREQMVQB-UHFFFAOYSA-N 436.472 2.389 30 10 IEEE O=C(Cn1cnc2ccccc2c1=O)NCC#CCOc1cccc(Br)c1 90731106 QVLBLSDMELHYPM-UHFFFAOYSA-N 426.270 2.358 30 10 IEEE CC(C)N(C(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208087663 KHPRIRDPMPRHHQ-AWEZNQCLSA-N 434.346 2.430 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ncc(Br)cn1 432994389 GNSPANYTNGFFAM-UKRRQHHQSA-N 449.378 2.360 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H]1CCCN(CC#N)C1 433222497 ZFQWTZMWXTWSDG-HUUCEWRRSA-N 442.379 2.211 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 437831169 AFXSQVJPEYRIFG-KRWDZBQOSA-N 436.940 2.350 30 10 IEEE CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 439618645 CPRTWZVZJFOKOP-AWEZNQCLSA-N 428.470 2.228 30 10 IEEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCC1CCC(C#N)CC1 442738597 OTWYAQPBLQKKQL-MHJFOBGBSA-N 430.549 2.204 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 443330051 JEFNHCRTORWSDY-UHFFFAOYSA-N 431.294 2.414 30 10 IEEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCOC[C@@H](C)C1 460375425 PFKXCUFDTMOHLX-SFHVURJKSA-N 433.578 2.456 30 10 IEEE CC[C@H]1CN(c2ccccc2)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 461329139 FNARBYWGMMDUOG-HKUYNNGSSA-N 426.542 2.352 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@H]2CCCO2)cc1 462427404 LIRYXCVKNUNDNA-LJQANCHMSA-N 431.517 2.178 30 10 IEEE Cc1csc([C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C2CC2)n1 466085311 QELQPZQOAUUPPC-SFHVURJKSA-N 445.570 2.490 30 10 IEEE CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 504098196 YQVIROTYBKPMJB-HSZRJFAPSA-N 428.533 2.203 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 508506639 FZZMTQNMDYRYEM-QGZVFWFLSA-N 431.562 2.420 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCOC2)CC1 518936061 SWBXSHJVZZALRA-INIZCTEOSA-N 443.577 2.405 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCOC)Cc1ccnn1C 521319004 XSDNEAMLPJTLAO-UHFFFAOYSA-N 448.531 2.247 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCCO1 534602792 RDWIEGSSARFKRI-GOSISDBHSA-N 426.513 2.490 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 535783675 UYESHHIQLMRLRU-UHFFFAOYSA-N 429.498 2.337 30 10 IEEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 549261483 ANWFIVPSWXYVME-UHFFFAOYSA-N 437.566 2.219 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 549670665 YMPJUXMYEFSUQR-UHFFFAOYSA-N 430.578 2.234 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 549699664 QMLSWICKDCWHKJ-QFIPXVFZSA-N 436.520 2.271 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 558307886 SGXCWRWZKSZXQK-GOSISDBHSA-N 433.555 2.448 30 10 IEEE C[C@@H](c1ncc(Br)cn1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 583280639 IVLLBAROWJKXSR-ZDUSSCGKSA-N 436.335 2.178 30 10 IEEE N#C[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 619753581 IDLCOHQBDPVPDJ-SFHVURJKSA-N 431.905 2.493 30 10 IEEE CS(=O)(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 619817222 TXVKNVRZQRAXDC-FQEVSTJZSA-N 436.541 2.383 30 10 IEEE C[C@H]([C@@H](C#N)NC1CC1)n1cnc(I)c1I 711011484 VNILSUWBUCAUPS-HTRCEHHLSA-N 442.042 2.297 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)cc1 737866766 JCSLHEFSMSRJKS-HDICACEKSA-N 441.553 2.460 30 10 IEEE CN1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CCC1=O 738903231 LQKZGCGIIWKOLE-PJWCADQQSA-N 435.550 2.022 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748242104 NJIHOLPACQDYEX-UHFFFAOYSA-N 432.484 2.114 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C(C)C)CC2)cn1 753361972 ZLDTWRIEQJDJHT-KRWDZBQOSA-N 434.610 2.339 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CC1CCS(=O)(=O)CC1 755546340 RGJKUUNJVFIVQE-GOSISDBHSA-N 449.598 2.420 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C1CCCC1 757176708 NOSMBLSNWSHBHX-UHFFFAOYSA-N 436.530 2.261 30 10 IEEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c1 760404616 SEJPDQTZMDZMID-UHFFFAOYSA-N 447.966 2.124 30 10 IEEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)C1=O 770685066 JAVLRBDCPRFCSK-OAQYLSRUSA-N 449.555 2.395 30 10 IEEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1COc2ccccc2O1 780174955 FRAZVGRMNZDYAB-KIMHZCHSSA-N 432.473 2.136 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccc(S(=O)(=O)N2CCCC2)o1 780175814 DEOFYKAOQRVFRF-LJQANCHMSA-N 426.491 2.369 30 10 IEEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2O)CC1 780178622 ZOLKLEQLDCGEPM-HJPURHCSSA-N 445.516 2.234 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCn1nnc2c(cnn2-c2ccccc2)c1=O 781236105 BWAQUAGIIHZUIM-HXUWFJFHSA-N 444.451 2.453 30 10 IEEE Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 786544561 XFIIPWFYZFVQQK-NRFANRHFSA-N 439.537 2.421 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 787352571 NEIRKHSZELBSOS-YRNRMSPPSA-N 447.557 2.086 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)s1 788071094 ATGXIDNXXZXRNV-UHFFFAOYSA-N 445.526 2.387 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)ccc2OC)n1 788695240 HRTMEZUBIBJKSJ-UHFFFAOYSA-N 442.335 2.125 30 10 IEEE CC(C)(C)n1cc(C(=O)C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cn1 790869665 QBMABHVJOSDCEZ-UHFFFAOYSA-N 428.392 2.216 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)c1 794043229 SDZFCNCORDMPEQ-UHFFFAOYSA-N 437.909 2.262 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCSCCOCCN2C(=O)c3ccccc3C2=O)c1 795246746 SXUFMLDHXNNWAZ-UHFFFAOYSA-N 444.534 2.378 30 10 IEEE COc1ccc(Oc2ccc(S(=O)(=O)NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)cc1 798833317 FTKAZNXDPQTMHI-CYBMUJFWSA-N 427.442 2.017 30 10 IEEE CCOC(=O)[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(OC)c(Br)c1 798849783 ATZVEEIWEHCHRB-BMIGLBTASA-N 437.250 2.329 30 10 IEEE CN(C(=O)COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1nccs1 801202422 FWZJPTPZDMNFTO-UHFFFAOYSA-N 432.405 2.432 30 10 IEEE CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801916384 WTWOYFZGFMWZJP-KRWDZBQOSA-N 432.532 2.432 30 10 IEEE COc1cc(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)ccc1C#N 812249180 JKJITVDEEPIDTI-UHFFFAOYSA-N 428.495 2.108 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812428855 BDKLBLYICMTMGP-SJLPKXTDSA-N 440.525 2.355 30 10 IEEE C[C@@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 915404603 CHHOJIFEGRXVEI-LLVKDONJSA-N 426.816 2.198 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC(=O)NC(=O)c1ccccc1 925044443 GOFPOVTUUFPYPM-UHFFFAOYSA-N 439.371 2.270 30 10 IEEE COCCn1cc(C=NNc2nc(SCCC(=O)NCc3ccc(F)cc3)n[nH]2)cn1 1084044381 LDHPODXBSIFQBT-UHFFFAOYSA-N 446.512 2.031 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(N)=O)cc2)cc1 1125203077 UCSGTYDSCWEOPQ-LYBHJNIJSA-N 428.514 2.170 30 10 IEEE C=CC(C)(C)CCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1131400500 DKCQDKRENWTROS-UHFFFAOYSA-N 433.530 2.293 30 10 IEEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)C1CCN(C)CC1 1134262786 QZUINGGJKKISBF-UHFFFAOYSA-N 433.574 2.086 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 1136064280 IEFNPQJPZDSDKZ-QXMHVHEDSA-N 432.524 2.474 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3O)CC2)cc1 1141411602 DRYPDXMRTXYBKK-UHFFFAOYSA-N 439.415 2.429 30 10 IEEE C#CC[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)OC 1141995641 VTDYRPOZNWDSKY-MRXNPFEDSA-N 440.477 2.441 30 10 IEEE CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1149444736 SAZARLCFEWZTTD-IEBWSBKVSA-N 441.532 2.313 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2cc(C(=O)OC)ccc2NC1=O 1157209507 USCMMTFYTQPEOB-ROUUACIJSA-N 443.500 2.149 30 10 IEEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OCC 1158287833 GQNTXYOKIKDJSM-CQSZACIVSA-N 447.351 2.327 30 10 IEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1286398891 SMIXMVOWQCPSQK-FHWLQOOXSA-N 438.594 2.065 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)c2cccc(C)c2)CC1 1286487222 SYBAVOKWKSRDLZ-UHFFFAOYSA-N 436.560 2.106 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286577836 BQEIRBRTSBSWJI-SJORKVTESA-N 439.568 2.132 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC)CC1 1286655942 MANDHPZEVDGLEI-FQEVSTJZSA-N 426.583 2.156 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OCC)CC1 1286695968 OXRDOWTVVKFMLE-UHFFFAOYSA-N 437.508 2.166 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nc(C)no2)CC1 1286784506 KCISTHGYNHMVOA-UHFFFAOYSA-N 432.488 2.194 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286789848 YAGFDQKWZDRFNK-MOPGFXCFSA-N 425.533 2.043 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1286971585 KCTKDDLEKAKDHZ-GQTOQBHESA-N 448.568 2.185 30 10 IEEE Cc1cnn(CCn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)c1 1290286989 GLQNRRPKPFLBJB-QGZVFWFLSA-N 434.552 2.158 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1F 1297712994 PWNIDWBJNMGMFO-ZWKOTPCHSA-N 433.842 2.012 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1298752514 DMEGFCGHGHXIHH-ZZEZOPTASA-N 439.520 2.118 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCn2ccnc21 1298775702 RKTSHJHIYJTQPO-SFHVURJKSA-N 439.545 2.072 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1299773304 OTSQODLZSMTBMB-JPYJTQIMSA-N 438.532 2.403 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497022 XCSMXCAHEHWFMK-KRWDZBQOSA-N 440.635 2.016 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CC1 1300574784 KLZVGTAEGFOMAK-UHFFFAOYSA-N 448.552 2.171 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](OC)C1CC1 1300603227 PDMCKWFHECBOPD-KRWDZBQOSA-N 430.578 2.431 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 1300682094 DXWXNKJDTXQFQQ-RXVVDRJESA-N 443.523 2.118 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1300765306 CYQYFLSFTIXYPD-UHFFFAOYSA-N 432.638 2.120 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1300797478 CIGGOBYLROGNSB-WOJBJXKFSA-N 434.949 2.140 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCC2)CC1 1300881856 CXKMPTJJLYNZJW-UHFFFAOYSA-N 440.573 2.397 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300884606 KYLBJTFNKQHZGY-NCYKPQTJSA-N 431.581 2.458 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1301524247 BKXLFEXXVXKPPJ-FDDCHVKYSA-N 425.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1301567725 KZQCKJPXBLYTCQ-QZTJIDSGSA-N 435.594 2.131 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301617391 DWTOVTXCLJXJCO-PXNSSMCTSA-N 432.638 2.139 30 10 IEEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)cn1 1302551667 IEIVFPNVJWWUCU-UHFFFAOYSA-N 439.545 2.411 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCCCO 1303932404 SOMPBBIXKAWULQ-CVEARBPZSA-N 435.525 2.402 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OC)c(OC)c1 1306197962 FIJSAEZPKGLFRY-UHFFFAOYSA-N 433.516 2.499 30 10 IEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1314900584 PZMQSBPZDBQRBQ-SFHVURJKSA-N 448.522 2.165 30 10 IEEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1316424671 WEDUWXZYYDEKLU-GOSISDBHSA-N 448.618 2.478 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1316535087 DIJZYDUHISYNSH-GOSISDBHSA-N 449.481 2.267 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC(=O)NCc2ccco2)CCO1 1316538833 ATCFQKTXYFBBHF-HXUWFJFHSA-N 434.500 2.092 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccn(C)n2)c1 1358902074 DTPQADHXYDMCJM-SFHVURJKSA-N 433.516 2.010 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccco2)CC1 1359046896 KBGDMNOJFFGKKZ-UHFFFAOYSA-N 444.495 2.336 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCCOC)CC1 1359103201 LQSVITPSNQMPGT-PGRDOPGGSA-N 447.580 2.014 30 10 IEEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359189266 FBBFTIKEHJDVKP-UHFFFAOYSA-N 432.613 2.060 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359227002 QQJXKIVUWRFDNJ-WMZOPIPTSA-N 444.532 2.446 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1359275596 YMBUTEWIIMLVKB-IBGZPJMESA-N 425.533 2.006 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cc2ccccc2n1CC#N 1452192749 NWQQGWFQXVEIDK-UHFFFAOYSA-N 441.469 2.124 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 1471833365 WMJVZQCIUHJJPR-SFHVURJKSA-N 427.526 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN(c4ccsc4C#N)CC3)OC2=O)C1 1473641040 LSTSTIRJOLZTSG-OAHLLOKOSA-N 432.546 2.294 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCN(c2nc(C(=O)OCC)cs2)CC1 1477916104 SANBIKOIFPNWPM-UHFFFAOYSA-N 428.514 2.364 30 10 IEEE O=C(N[C@H]1CCc2nnnn2CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1478843396 KZILQZNNVHWULS-XHNCKOQMSA-N 448.318 2.190 30 10 IEEE Cn1ncc(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)n1 1503691466 IDKMRIZMXHTOKI-FQEVSTJZSA-N 428.447 2.199 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507564727 VWHICBVLYCRRCM-FQEVSTJZSA-N 429.565 2.051 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)SC 1507654312 YRUSWPVBZAEFRS-IAGOWNOFSA-N 433.578 2.411 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1507700444 QMZLRJUSVLLCDM-IBGZPJMESA-N 435.507 2.372 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1507772382 JTIRFFARCPPRNH-AUSIDOKSSA-N 441.601 2.481 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507967502 KOLRDMLCBGQADY-PWRODBHTSA-N 433.597 2.312 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1507968536 UZZFSBFSSUQWJX-PXNSSMCTSA-N 426.583 2.168 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1507982300 SCAXGTJALCBQLF-KRWDZBQOSA-N 431.541 2.414 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N(C)C 1508006189 LFUIQMHKIFMUDO-GOSISDBHSA-N 437.541 2.353 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1508012976 LCDHAHTVVLPMOW-AZUAARDMSA-N 440.596 2.044 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508075193 WIROALJDTSTAAW-APWZRJJASA-N 444.967 2.058 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508095768 TYNJJANMASZBQE-SFHVURJKSA-N 430.597 2.444 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCO[C@@H]2CCOC2)CCOC1 1509806156 TXIWAONSIQRKBX-DENIHFKCSA-N 433.553 2.254 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCCCC1 1510192204 PFXHAABHQYZPAA-HNAYVOBHSA-N 442.561 2.070 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CCS1 1514139166 LHMPGWOXWUEQTJ-SFHVURJKSA-N 448.618 2.478 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1515098172 ABTAYOCSBMKALU-OAHLLOKOSA-N 449.481 2.416 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1([S@@](C)=O)CC1 1516617992 GUFUCMOXTAQVIT-VPTFNQTCSA-N 429.546 2.175 30 10 IEEE CCOCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1516698932 RVHJGFKXYSQSEI-IEBWSBKVSA-N 440.552 2.323 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1517637234 LETVHLWKEZRMOP-PMACEKPBSA-N 439.516 2.402 30 10 IEEE COc1ccc(CCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1518195435 AIMBIBXRRXVXLC-AEFFLSMTSA-N 431.562 2.245 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC(F)(F)CO1 1519166317 GPQKXDYOIHFQOJ-HNNXBMFYSA-N 435.431 2.464 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCC1 1519322718 UCXVPAQZTGFSSU-SFHVURJKSA-N 440.548 2.115 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)Cc1ccc(S(=O)(=O)N3CCCCC3)s1)CC(=O)N2 1528043003 RZRVEQMAPCBOEK-UHFFFAOYSA-N 444.538 2.322 30 10 IEEE CS(=O)(=O)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1532323583 IBKHCBXTLZPVLW-HNNXBMFYSA-N 446.916 2.252 30 10 IEEE CCc1ccc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1532953900 DUCMVHTZAJLLEB-OAQYLSRUSA-N 439.537 2.039 30 10 IEEE CN(C)C(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2I)CC1 1538266855 ZUNIJYOOXLMPFD-UHFFFAOYSA-N 426.258 2.495 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1538974054 QTGWUOOCHJTSPB-KGLIPLIRSA-N 425.942 2.079 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1539073003 ZZRHXESUHVSYCH-GOSISDBHSA-N 445.564 2.449 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539076712 VAYCOSZZQLJGOJ-OFNKIYASSA-N 449.603 2.056 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(=O)N1CCOCC1 1539162988 ZYVMOKPYBYPCTA-UHFFFAOYSA-N 449.511 2.435 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c([N+](=O)[O-])c1 1539535820 VKCKWRVPVLZZAI-UHFFFAOYSA-N 429.454 2.306 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539749839 DHPPWEKGVMUQDP-DNVCBOLYSA-N 431.487 2.455 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2occc2C)CC1 1539848226 NSGUPLHBVIEFKL-QGZVFWFLSA-N 447.561 2.058 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 1540881560 MGEHELJMTNKOAR-LJQANCHMSA-N 430.597 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CC=CCC1 1540902014 XYHOKYNNALSNRZ-INIZCTEOSA-N 447.561 2.399 30 10 IEEE CC(C)(C)NC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541196470 BHPMREGYQKASIY-UHFFFAOYSA-N 436.564 2.444 30 10 IEEE O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CN1 1543773083 XJMHWQCHJXRAHY-WDEREUQCSA-N 429.292 2.257 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1554516137 AYDUUDQFEHPYDV-IBGZPJMESA-N 438.532 2.368 30 10 IEEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N2CCC(CC#N)CC2)CCOCC1 1555681606 ALWWISOEBDTRFW-LJQANCHMSA-N 433.553 2.472 30 10 IEEE C=CC1(CC(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1556544269 XZYBTWGIKZPNHD-UHFFFAOYSA-N 428.537 2.459 30 10 IEEE CN(C[C@@H](O)COc1ccc(CC#N)cc1)C1(CNC(=O)OC(C)(C)C)CCOCC1 1560179341 MIFFTLUAUBYDHJ-LJQANCHMSA-N 433.549 2.498 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)C1 1562405131 MYVIJXQWJFNQDP-NRFANRHFSA-N 440.544 2.321 30 10 IEEE C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1564382657 IFAPSDQEOVHKJC-BTJLNZGRSA-N 444.326 2.099 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)c(F)c3)CC2)cc1 1583876482 GJDQLBKUASULHR-UHFFFAOYSA-N 431.489 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1588173873 MHRONCQDDPMMKC-QGZVFWFLSA-N 430.553 2.040 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1589088826 KBBXUEQEYVRVKJ-QFIPXVFZSA-N 427.574 2.405 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1593660389 LGPNVYKWEZYCMS-UHFFFAOYSA-N 426.496 2.078 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1595522370 CNEORQJZGINKTO-QZTJIDSGSA-N 439.564 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccccc1F 1595788611 DLILUSJMTDOYLK-YOEHRIQHSA-N 435.525 2.167 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597337487 PMPGPAZTJAICBE-QBEKEKFNSA-N 441.580 2.068 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCc2cccnc21 1611659254 OTDJNVNHEWRTBU-HLLBOEOZSA-N 431.566 2.142 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1611751521 FURKGQWJACEAPA-LSDHHAIUSA-N 438.529 2.187 30 10 IEEE CCc1nnc(NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c(C#N)c1CC 1612884285 OXIBZGXZXBKTRE-CQSZACIVSA-N 437.566 2.309 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1615209238 BZBSYOZPJWUQJN-UXHICEINSA-N 442.589 2.170 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(CC#N)CC2)n1Cc1cnnn1C 1618379879 VHWRVCIYULMPKW-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC[C@@H]1C 1619534055 MCZBCQSJFPSZEZ-VDGAXYAQSA-N 427.505 2.005 30 10 IEEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1627573416 UFHWKJBAIBHWNN-CRAIPNDOSA-N 427.509 2.204 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1630119867 UDPFRMZPASDCBA-NRFANRHFSA-N 427.482 2.270 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCn3ncnc32)CC1 1633105254 YEXFBRSEZUDHMK-IAGOWNOFSA-N 429.322 2.327 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)C1 1633382114 NACBVQHDHRLGOA-ICSRJNTNSA-N 444.329 2.358 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 1634187705 DZYKLSZVMKHSFT-ZSYWTGECSA-N 439.516 2.218 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)C2)c(=O)nc1O 1635172651 OGPDMWAKKNHYOF-UHFFFAOYSA-N 442.888 2.364 30 10 IEEE CS(=O)(=O)c1ccc(OCCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1635415252 ATDBGZNDAJCKFO-QGZVFWFLSA-N 428.514 2.229 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC(C)(C)S(C)(=O)=O)C2)C1 1638185420 USCHRCJMMNCKIK-RDYUPDBUSA-N 427.567 2.103 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(OCC(F)(F)F)cc2)c1=O 1641326073 UQWNCSJHVQBMIC-UHFFFAOYSA-N 439.390 2.213 30 10 IEEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)C1 1645229936 MNILUJUWEFEMPI-UHFFFAOYSA-N 428.510 2.210 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2cnc(I)c(O)c2)C1 1648719075 CQPHVXPCAFKIFK-KRWDZBQOSA-N 434.237 2.484 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1653543883 GGROYGJJXWEEJJ-SFHVURJKSA-N 428.510 2.173 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)[C@H]2CC2CCCCC2)CC1 1653926964 CYMLMRLKIIGIDC-WOJBJXKFSA-N 443.617 2.228 30 10 IEEE COC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CCOCC1 1654457893 GFBFWZNCGFMHPP-UHFFFAOYSA-N 440.500 2.225 30 10 IEEE CCOC(=O)c1sc([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)nc1C 1654667800 LLOYKXKLSGIJIK-QZTJIDSGSA-N 447.605 2.110 30 10 IEEE CSCC[C@@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 1654706439 HUGZGLKSCHMHBC-PMACEKPBSA-N 437.521 2.468 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1Br 1655516381 FFZKZQGOFFZLAS-ZBFHGGJFSA-N 447.326 2.448 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C(=O)OCC 1656680114 RBQACNPBRKJXMN-AWEZNQCLSA-N 434.308 2.412 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)cc1Br 1666604432 RPENWJFWMBZUFD-CYBMUJFWSA-N 426.329 2.093 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)cc1 1667956663 PQVABZIZBTVVNT-SJLPKXTDSA-N 433.534 2.268 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1)[C@H]1CCCO1 1686184933 UKXGDFAMJLHTKI-LEWJYISDSA-N 447.601 2.425 30 10 IEEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1689969262 QMPZYPGUHLNLTK-OAQYLSRUSA-N 430.512 2.499 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1689993571 HDDXVWUBJKEBJA-IBGZPJMESA-N 430.574 2.499 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(C)C)c1 1690019470 JRKOJJDEAWCMGC-FQEVSTJZSA-N 440.569 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(OCCOC)CCOCC1 1690036999 IPUFXTDHYSFCEG-UHFFFAOYSA-N 447.539 2.492 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCC)CC1 1690110584 RRLUBAFYVIGDCJ-UHFFFAOYSA-N 445.527 2.128 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CC(OCC)C2)CC1 1690119730 QDFFWPBMLHZFOL-UHFFFAOYSA-N 429.952 2.284 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1690134743 DDUOEGRALMZVFS-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690179240 RRQJEHLNTULTOH-SVMVAKDDSA-N 427.574 2.403 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690188947 QUJGGRONKFCWNJ-FHWLQOOXSA-N 449.621 2.062 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1690262787 NTBKBCCHHGCJLH-SFHVURJKSA-N 443.596 2.434 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690465439 ARNJBTTXGSHHCE-SFHVURJKSA-N 435.536 2.152 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1690480855 QAEUCOPYYPSANT-FQEVSTJZSA-N 432.532 2.050 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1690604323 SORWGWYFMWLQRN-OAQYLSRUSA-N 439.560 2.266 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690655210 KUSWBDLPADAIHO-ACRUOGEOSA-N 427.549 2.044 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1690678247 PJLXJHIEFLEKGK-LJQANCHMSA-N 440.548 2.134 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690682397 NNMWYZAJFVANPU-UHFFFAOYSA-N 433.578 2.450 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)no2)C1 1690711580 DEGSJDUGVAANBY-HNNXBMFYSA-N 428.518 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(CCOC2)C1 1690719003 DXVDOXPGIUDTPD-NRFANRHFSA-N 432.546 2.171 30 10 IEEE CC(C)COCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1692452806 CYWVZVTXOZAFML-HXUWFJFHSA-N 439.564 2.438 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N1CCOCC1 1694125555 DRBHMOWWDJWXJE-MOPGFXCFSA-N 438.580 2.106 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C1 1697038982 CKOBYWZKKAVPHS-GAJHUEQPSA-N 439.516 2.279 30 10 IEEE COc1ccc(O[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1697472354 DXGYCYVNIHJNAH-DYESRHJHSA-N 434.500 2.469 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705561316 PAZHEZRBJJAUFQ-APWZRJJASA-N 435.981 2.170 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1705583341 WCFHCXXJUSILPM-NZQKXSOJSA-N 449.555 2.100 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1705625805 XIOOUZMFYBBJOL-OKXSDPAFSA-N 443.548 2.309 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705635732 IYDGJACDSJAXNN-UHFFFAOYSA-N 449.647 2.289 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1705671236 BNAPJULYLPTJRR-PPEFQKSUSA-N 446.511 2.472 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1705861541 IIYGYRVSMCUOJO-FPOVZHCZSA-N 438.576 2.390 30 10 IEEE C=CCn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893454 IWNYIIXFIOTPOA-HRCADAONSA-N 441.598 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Cn2cccn2)CC1 1705905434 VLMBJIOYLRABEO-UHFFFAOYSA-N 449.559 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1705930743 VBWOBVJKOWDGHP-UHFFFAOYSA-N 443.533 2.016 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705947705 VAEQNDCHTNFVJI-LJQANCHMSA-N 442.589 2.011 30 10 IEEE CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1709826412 CHHYTWDRUXHXTL-UXHICEINSA-N 449.559 2.174 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710269941 GHDMGLHFBWERGL-UWJYYQICSA-N 431.585 2.398 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712181875 AISYEQQMTUOJEQ-RDJZCZTQSA-N 432.475 2.157 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(C)(C)C)nc1 1712567150 SFWZZIKNNJORKA-WMZOPIPTSA-N 444.536 2.351 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1722297439 GYSWRQIVXOJQHZ-HXUWFJFHSA-N 448.619 2.248 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722361812 PVIZCNJGKNIBIK-QGZVFWFLSA-N 443.479 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1ccc(OC)cc1 1722382202 GCBAGXHJZQXBFT-AZUAARDMSA-N 440.569 2.140 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCOCCOC)CC1 1722436164 YLGDBYGLJYXAKI-UHFFFAOYSA-N 434.544 2.302 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCCCC2=O)CC1 1722436686 KTYPKBVLZDFCPQ-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1722455653 VSQSANODBUWSPP-KRWDZBQOSA-N 429.546 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCO 1722470461 QRMRQCDQARNMBU-OAQYLSRUSA-N 430.578 2.393 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(CC)s1 1722537651 QDJBJBDEZXLJRP-HNNXBMFYSA-N 439.607 2.428 30 10 IEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1722610238 NIQHRQUGVODTPW-UHFFFAOYSA-N 437.342 2.297 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1722705304 CQOKAXPXFXWZMK-UHFFFAOYSA-N 443.939 2.491 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2C[C@]2(C)CN(C)C2=O)n1 1726028565 XWHBLHRMBSFPDC-QFIPXVFZSA-N 426.569 2.384 30 10 IEEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)s1 1726340309 ARFWEZTVQFPBQF-UHFFFAOYSA-N 443.558 2.038 30 10 IEEE CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1728005371 QWAJVRJASKDOEP-QGZVFWFLSA-N 437.552 2.081 30 10 IEEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1728736253 BJFBWXZJBZCZLO-PMACEKPBSA-N 437.548 2.482 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C 1729376038 PLNRTWUYRPQZBO-UHFFFAOYSA-N 439.564 2.330 30 10 IEEE COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)c(OC)c1 1730141511 FNYPQZXKQJQJIR-SFHVURJKSA-N 436.472 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740536730 LRGKHMZAFGMRBE-RXVVDRJESA-N 438.576 2.354 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740603681 ALZCJHNCROPMPG-QZTJIDSGSA-N 425.533 2.285 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2cccc(C)c12)[C@H]1CCS(=O)(=O)C1 1740625428 NQHVOOVQUCJWTE-SFHVURJKSA-N 425.558 2.500 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1(S(C)(=O)=O)CC1 1740659660 YUNHHYXUWMQKHC-UHFFFAOYSA-N 426.542 2.206 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1740680686 LGXYISGULWBFQA-HXUWFJFHSA-N 449.559 2.442 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C)C1CC1 1740910233 LSHOHOKVXBHFRF-IBGZPJMESA-N 431.562 2.123 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)C1 1740974180 JTBIVMUEVAWTOY-KGLIPLIRSA-N 435.326 2.096 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cccc(C)c2C)CC1 1740994662 UVIJBTIMFCVSML-UHFFFAOYSA-N 447.605 2.359 30 10 IEEE CC(C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741341990 PUINDQJOCAVCCO-MXLIYFDZSA-N 428.537 2.059 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1748551808 AENHEAZXMGGPOI-WFASDCNBSA-N 445.911 2.191 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@H]2C)c1 1748578319 FOLFCLHGYRHHMB-GQIGUUNPSA-N 427.505 2.364 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1748950701 PECLZZSMHMZJMZ-SZVBFZGTSA-N 449.552 2.232 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1748971081 CBVMZEPZKQUIDM-HMXCVIKNSA-N 442.564 2.163 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)cc2F)CC1 1748971467 QRESKOKRBZCDRN-UHFFFAOYSA-N 430.503 2.278 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 1748978232 IUENMXWNAVBGQK-AVRDEDQJSA-N 433.622 2.217 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749095774 CIKGJMIDLTUYIZ-CYBMUJFWSA-N 432.326 2.139 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749230021 SRUXFEHVFGETDP-VQTJNVASSA-N 430.553 2.175 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749402010 HUTVARQOBQGUBK-PMACEKPBSA-N 430.597 2.271 30 10 IEEE C=CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 1749515712 AEGYOUZYTHCERW-UHFFFAOYSA-N 440.529 2.372 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749642380 AKLJOFLRVKGVJI-UHFFFAOYSA-N 430.528 2.173 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760181329 SIKRLABCSYOVBK-WBVHZDCISA-N 434.587 2.332 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1760183874 UUPKBMGOJYBHRT-NEPJUHHUSA-N 439.326 2.406 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760189842 XAXZCPUFZQYLPD-OALUTQOASA-N 438.594 2.352 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNC(C)=O)CC1 1760389822 VCVZINZERBTBET-SFHVURJKSA-N 448.568 2.269 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1760486857 BRRCVNGPECXOHI-INIZCTEOSA-N 447.590 2.116 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1 1760532844 HAELYISNPUQTLA-QZTJIDSGSA-N 432.546 2.018 30 10 IEEE C=CCSCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1760568797 SWKFAPSLTZTXSJ-DZFGPLHGSA-N 438.594 2.234 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)c(=O)n1C 1761791653 RHAHSPPTBDVIQK-LJQANCHMSA-N 434.500 2.009 30 10 IEEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cs1 1767996184 BDCRRBISSKTJHW-CQSZACIVSA-N 437.529 2.355 30 10 IEEE CN(CC1CCCCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768779708 WZTXUYNVZILZEC-RWNPKEDZSA-N 428.537 2.325 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@@H]1C 1769494203 BNTCNWKMIZTTER-IWAYBZMOSA-N 442.545 2.005 30 10 IEEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(C(C)(C)C)no2)cn1)[C@H]1CCN(C)C1=O 1850410573 VVHRRJWOCLXAAJ-KRWDZBQOSA-N 449.515 2.474 30 10 IEEE C#Cc1cc(C#N)c(C(F)(F)F)cc1NC(=O)[C@@H](C(C)C)N1CCS(=O)(=O)CC1 1851739008 GCCXQSNEFIRJSM-QGZVFWFLSA-N 427.448 2.252 30 10 IEEE C=CCN(C(=O)[C@H]1CN2CCN1CC2)c1nc(SC)nc2c1cnn2-c1ccccc1 1852679404 QYBUXPOTALQRFU-GOSISDBHSA-N 435.557 2.056 30 10 IEEE Cc1ccc(C(N)=NOCCc2nc([C@H]3CC(=O)N(CCc4ccccc4)C3)no2)n1C 1853405525 PEVRKBUPEHUCTH-SFHVURJKSA-N 436.516 2.155 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862739694 FCUZIMFOBRPSEQ-APPDUMDISA-N 427.369 2.462 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862740990 ZLBGKTCAFWXYRS-QGZVFWFLSA-N 427.369 2.464 30 10 IEEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870559873 BRLZHDSGSYZUCQ-UHFFFAOYSA-N 435.503 2.287 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651892 NKOXEERZTSECKD-UHFFFAOYSA-N 439.545 2.053 30 10 IEEE CN(CC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1)Cc1ccccc1 1889438829 JIUQLPFYQCRXNG-DNQXCXABSA-N 448.592 2.481 30 10 IEEE C=C[C@]1(CO)COCCN1c1ncc(I)cc1Br 2079193023 WEWRVHFYTWJVNH-LBPRGKRZSA-N 425.064 2.202 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102872 PSVWTNQYSRURSQ-HZPDHXFCSA-N 425.323 2.385 30 10 IEEE C=C(CS(=O)(=O)NCCCOCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903703 IYZDWLOGNXVCJC-UHFFFAOYSA-N 448.391 2.025 30 10 IEEE C[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247923434 YLILYFKNXVDLHK-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247928206 YOBVPVJQTUPZGG-CHWSQXEVSA-N 438.355 2.069 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255539234 WRJRHERXSYGXPX-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2255616509 OXLIEFPENZDXLJ-KGLIPLIRSA-N 434.346 2.179 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629572 XRZHZIFEIZXHPF-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2265106419 BDRPBDGFNHQIFS-ILXRZTDVSA-N 431.327 2.313 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267270283 KLOAVZSNHGUSAD-HNNXBMFYSA-N 448.373 2.493 30 10 IEEE Cn1nc(C(=O)NCC[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267544836 ZRFASMJFELYLFX-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267552937 WOZOJXWMJGPCNA-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267602592 OWCNKZUMIXMMFL-YJBOKZPZSA-N 445.369 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C(=O)O)C1 2267841240 MELCLKNIEIFRJN-KRWDZBQOSA-N 447.341 2.078 30 10 IEEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(Cl)c1 2270532906 WVWKHJQVRKRDDH-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2278701058 RZLOLVMFIQONEC-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE C[C@H](C#CC(=O)N(C)CC1(O)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C 2302415097 LZNAJRNOAAAYAS-LJQANCHMSA-N 429.561 2.389 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)n1C 2315593038 DVBZDYIEQCYZNJ-INIZCTEOSA-N 426.370 2.278 30 10 IEEE COc1nc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503587 PMEYAZCNWAVGQV-FPTDNZKUSA-N 431.342 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306822 OVUXYYOXYKPFJM-HZPDHXFCSA-N 437.321 2.302 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccc[nH]3)CC2=O)cc1 2325882303 MDEUMJIHUHITOF-AWEZNQCLSA-N 426.502 2.102 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc(OC)ccc2OC)cc1 2329260401 FAEGPBUMDGQCHB-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2337291745 JQFBGRVGQXZXOZ-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1C 2337400514 VGABVPOHKVBMBT-IBGZPJMESA-N 438.381 2.422 30 10 IEEE C#Cc1cnn(C2CN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)C2)c1 2339483987 KIFUQVDPJRRKGF-RUZDIDTESA-N 449.555 2.417 30 10 IEEE CS(=O)(=O)C1(C#C[C@@H](NN)c2cc(Br)c(Br)s2)CC1 2342087797 OFYYGJSKNPSBNL-MRVPVSSYSA-N 428.171 2.358 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2C1=O 19043662 INPDGXRMUSVQCY-UHFFFAOYSA-N 435.480 2.350 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)cc1O 170111892 ZIACLOWNIUKIHE-IBGZPJMESA-N 441.440 2.449 30 10 IEEE C=CCn1c(C(=O)N2CCN(S(=O)(=O)CC)CC2)cc2oc(Br)cc21 223723017 MEDGHYNIWIVUPT-UHFFFAOYSA-N 430.324 2.290 30 10 IEEE CC(=O)O[C@@H]1CC[C@]2(C=O)[C@@H]3CC[C@@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 254316566 JLZAERUVCODZQO-SDVYLYKKSA-N 446.540 2.469 30 10 IEEE Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1 432834421 JQIQMQJNKFDLPJ-UHFFFAOYSA-N 431.489 2.226 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4snc(C)c4C#N)CC3)CC(=O)N2C)cc1 461190747 NVLIWTFNFAVSOP-PXNSSMCTSA-N 439.541 2.200 30 10 IEEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2)c1 474630231 FLLMWCTZFDRIDK-UHFFFAOYSA-N 449.511 2.359 30 10 IEEE C[C@@H](OCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)c1nccn1C 480886711 VSQNXOGWXBXDFP-CQSZACIVSA-N 425.468 2.025 30 10 IEEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)cn1 492237170 AXAGUEMQPNDGLF-UHFFFAOYSA-N 435.387 2.232 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)c1 503389827 LNJHXALONKYFRL-JTSKRJEESA-N 431.489 2.187 30 10 IEEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)s1 503446183 HBRBIKAGCORZQA-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE CO[C@@H](C)c1noc(CN2CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 507316622 UUAKLCVZHIISRA-BTYIYWSLSA-N 435.525 2.073 30 10 IEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508845979 DVCALFKBXAAFFV-QFIPXVFZSA-N 435.576 2.234 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccccc1C 514492165 SPHWTGXFBJPNAI-UHFFFAOYSA-N 449.507 2.160 30 10 IEEE COc1ccc([C@@H](C#N)N2CCN(C(=O)CSc3nnnn3-c3ccccc3)CC2)cc1 530780489 VOIOUIGEXBYUJB-HXUWFJFHSA-N 449.540 2.172 30 10 IEEE COc1cc(F)c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 531826588 BVBBZRPTHJECTP-UHFFFAOYSA-N 436.440 2.383 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 570908834 AJTKYOJGYPXDLU-LSDHHAIUSA-N 430.530 2.495 30 10 IEEE CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1 586054652 QHZUKIYEPRTQCT-FQEVSTJZSA-N 425.510 2.137 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)ccc1Cl 604025156 QYUHSAIURAPCFB-UHFFFAOYSA-N 433.873 2.087 30 10 IEEE CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609256665 BXJWBTIOMJEZQU-UHFFFAOYSA-N 432.477 2.031 30 10 IEEE CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609256831 JWVPNMHPAJKYAR-UHFFFAOYSA-N 439.491 2.024 30 10 IEEE CCn1nc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(=O)c2ccccc21 609820442 ZLVWUMNVHNBPMK-UHFFFAOYSA-N 441.495 2.419 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 669808985 SBVVSWAQMADFQX-SFHVURJKSA-N 444.561 2.111 30 10 IEEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(C(F)(F)F)c1 741341103 ICQCXCHRIIPIQB-DUUUWJQVSA-N 425.363 2.492 30 10 IEEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 752150240 CIFCEHRLGUDQEI-UHFFFAOYSA-N 430.913 2.406 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1 780925945 HNSUDOBKFASCKC-HXUWFJFHSA-N 434.525 2.404 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)s1 788039033 CBPDCAMQUPEFDQ-UHFFFAOYSA-N 434.543 2.029 30 10 IEEE C#CCSCCNC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 788797009 JEZOBCJVGOMYCS-ZWKOTPCHSA-N 431.558 2.336 30 10 IEEE COC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1F 790841244 CZQBSFXZQPWNJA-UHFFFAOYSA-N 441.234 2.365 30 10 IEEE O=C(COC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53)NCC#Cc1cccc(C(F)(F)F)c1 800254667 ZMTMWQNLEVNUIY-CAUXOHIQSA-N 429.394 2.043 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@@H]2CCCO2)C1 802689166 KXZDVKKKLWPYFI-UWJYYQICSA-N 428.468 2.325 30 10 IEEE Cc1cc([C@H](CC(=O)NCCn2cnc(C#N)n2)NC(=O)OC(C)(C)C)cc(Cl)n1 804620647 SIDPYSUDJMHSAW-AWEZNQCLSA-N 433.900 2.279 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@H]2CCCO2)cc1C 808131488 WLKYWLPXAKCVFA-HXUWFJFHSA-N 447.560 2.430 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1snnc1C 813561091 CXYSIZSAIJCYOK-INIZCTEOSA-N 446.602 2.355 30 10 IEEE C=CCN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 816803235 SJVXOXPNYLEGAH-UHFFFAOYSA-N 442.335 2.012 30 10 IEEE COc1ccc(C(=O)NCCNC(=O)COc2ccc(C#N)c(Br)c2)cc1 1125182880 UZVFYOSXGGYQJC-UHFFFAOYSA-N 432.274 2.254 30 10 IEEE C[C@H](C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1)n1cnc(C#N)n1 1129096916 WBZMRZAYUZTBLD-OCCSQVGLSA-N 435.269 2.407 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1140627285 RJYVXGYOTQPZNX-TZIWHRDSSA-N 432.517 2.385 30 10 IEEE CCOC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccccc1 1142423756 FEUZWKBLWWMSQD-INIZCTEOSA-N 432.473 2.275 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)nn1 1142655538 IHAQRJXDGBIWMZ-UHFFFAOYSA-N 433.440 2.473 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1)C(=O)OC(C)(C)C 1146498845 RNVUXZSYGITOQG-IBGZPJMESA-N 443.544 2.303 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1162365357 PURPAAGYSWVATG-MRXNPFEDSA-N 439.553 2.171 30 10 IEEE Cc1ccc(C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)cc1B1OC(C)(C)C(C)(C)O1 1168386760 XDYAYRNQXPPUCD-GOSISDBHSA-N 435.289 2.427 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F)C1CCOCC1 1192786150 CRCZPJCSACKEGH-HNNXBMFYSA-N 448.310 2.472 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 1194240470 JQCGCBUYXQNDKK-XMMPIXPASA-N 445.567 2.208 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)CC1 1226703253 NFSKELZDAPSBIY-CTWPCTMYSA-N 432.546 2.252 30 10 IEEE CN1C[C@@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](c2ccccc2)C1 1233851671 HMYJZADFCUZEBF-ZGXWSNOMSA-N 427.549 2.390 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 1278476844 FXZXOKSRFQDVBH-GOSISDBHSA-N 434.558 2.199 30 10 IEEE CCOC(=O)[C@H](Cc1ccncc1)NC(=O)COc1cccc(Br)c1C#N 1278735689 HWPGMHCZQAGCCZ-INIZCTEOSA-N 432.274 2.385 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1286320958 KFYSKRYKWSUODV-UHFFFAOYSA-N 449.563 2.306 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1286365920 NCCHHIYOEBXAJY-QUCCMNQESA-N 443.573 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cn2ccccc2n1 1286432921 COJHFZYRZNYNNH-UGKGYDQZSA-N 432.528 2.355 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(C)C 1286457869 GICBDQIQUKGQLP-LJQANCHMSA-N 447.580 2.299 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286542701 WZFYPLQUGYVSFI-BBWFWOEESA-N 440.386 2.238 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1286602339 XMGSHCYYWHVFPV-HSZRJFAPSA-N 443.523 2.344 30 10 IEEE CC(C)c1ccc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1289437154 VGRQEFWVJACYGJ-LAUBAEHRSA-N 428.514 2.189 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C[C@H]1CC 1297613739 YYYXYLXLVIQRAF-QGZVFWFLSA-N 436.520 2.185 30 10 IEEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OCC 1298020815 LOMQCFXGZOHIKN-NVXWUHKLSA-N 425.551 2.073 30 10 IEEE CN(CC1CCOCC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1298579829 JSSAWIQYCZHLJO-VXPUYCOJSA-N 430.553 2.256 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300487877 MZBXAVXYMQNDEO-GOSISDBHSA-N 431.562 2.030 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccccn1 1300578305 AWULKQBCECVPRT-UHFFFAOYSA-N 437.507 2.293 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@@H](C)C2)n1 1300681640 WEZWSCVXDUBYOV-XUVXKRRUSA-N 442.564 2.080 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCc1ccccn1 1300761716 DVRKOBUHIACHAM-KRWDZBQOSA-N 433.603 2.011 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC[C@@H]1C 1300839646 SEIMRDZGOGHLSN-HNAYVOBHSA-N 436.520 2.259 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300975488 VLBHVFGGZYXOFW-HSZRJFAPSA-N 441.532 2.414 30 10 IEEE COC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1300996755 COCHLCTULNMIHV-VFNWGFHPSA-N 449.483 2.074 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)C)nc2)C1 1301535095 HRVMIMOHPCAVPV-SFHVURJKSA-N 428.537 2.428 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2)C1 1301538565 ISBFTAGPHAAXDW-QAPCUYQASA-N 437.541 2.051 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2cncn2)C1 1301547467 ZORNDIMBUOLVKR-QGZVFWFLSA-N 425.493 2.035 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)cc1 1302148900 IESZFYLSUFMJJG-INIZCTEOSA-N 435.908 2.399 30 10 IEEE Cc1cc2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)[C@H](C)CC#N)ccc2[nH]1 1304257752 CVZYKHFFGOWQDL-CABCVRRESA-N 429.550 2.465 30 10 IEEE C[C@@H]1N(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1305243553 WRENDNAWOBVJMX-XOMICKMZSA-N 436.516 2.475 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 1309087710 LAFASCKJZNTYQC-QGZVFWFLSA-N 446.554 2.093 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1312628414 FXJHLPJAARKFKK-FHWLQOOXSA-N 441.532 2.262 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NCCN2Cc3ccccc3OCC2=O)CC1 1313106743 AJOUPYDVEHZCSI-UHFFFAOYSA-N 433.512 2.247 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1313555158 ZVJZQIQCPUSHAK-UHFFFAOYSA-N 444.543 2.325 30 10 IEEE COc1cccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1315585901 KNTMIRSKZAUXGM-QFIPXVFZSA-N 442.495 2.434 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)CC1 1316358087 ZBAUBHOBOAOEIU-UHFFFAOYSA-N 442.570 2.203 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)C1 1337649573 KGUSAAVDFOFOSB-CQSZACIVSA-N 429.336 2.324 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1358929830 IXDDRTKAZUHWGT-NRFANRHFSA-N 441.601 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1358968482 NEFMCGWFBKNXLH-UHFFFAOYSA-N 431.475 2.252 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359219073 GGHLEJWGAOTOEH-MSOLQXFVSA-N 444.605 2.393 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1359240150 HAQFDZLJBPOMOF-LJQANCHMSA-N 444.605 2.482 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCOCC2)C1 1359293318 MXZSFXRQGXMUEP-UHFFFAOYSA-N 449.353 2.345 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359339267 YWUVVCVWMAXMEI-UHFFFAOYSA-N 427.534 2.352 30 10 IEEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359519361 GJALBZRUQDYHNN-XMSQKQJNSA-N 443.573 2.239 30 10 IEEE CC(C)CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359958879 KXMSXVJSFTVWJR-FQEVSTJZSA-N 437.548 2.483 30 10 IEEE COCCN(C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)c1ccc(C#N)cc1 1360183633 IFJPVYHBPRPIAP-UHFFFAOYSA-N 428.493 2.358 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1 1441015563 YRDKAXCHEYQOIK-NVXWUHKLSA-N 445.463 2.281 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3sc4ccccc4c3Br)C2)c(=O)nc1O 1457196225 DEUAMFAKUFDPRK-UHFFFAOYSA-N 431.271 2.495 30 10 IEEE Cc1cccc(CN2CCO[C@@H](CNC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)c1 1462239159 VRWFOTAYGLOFMS-NRFANRHFSA-N 437.544 2.397 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C[C@@H]2C1 1467653299 PPQHFNGXZXRKIA-OKILXGFUSA-N 437.493 2.062 30 10 IEEE C#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 1468297520 UFPYOPCYZIKJSE-FQEVSTJZSA-N 427.526 2.125 30 10 IEEE C#CC1(O)CCN(C(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)CC1 1470364990 KHLVVCOZFALOJV-IRXDYDNUSA-N 440.569 2.322 30 10 IEEE C#CC1(O)CN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)C1 1472246693 OTBOZCZMCGNKAI-NZQKXSOJSA-N 434.492 2.395 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCNC(=O)C(C)C)n1 1492744352 MVBLUFIISVRLQC-UHFFFAOYSA-N 426.569 2.432 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1Cc1nncn1C 1504883164 FMECHPPXDHYHNX-UHFFFAOYSA-N 445.325 2.251 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CCc1cn[nH]c1 1504884197 VXRADCAXRCJCRZ-UHFFFAOYSA-N 447.341 2.378 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507588953 SMXOIYFWFUHAGL-IRXDYDNUSA-N 446.577 2.484 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C(C)C)C(C)C 1507648046 JHEIHMZYQDCAEK-UHFFFAOYSA-N 445.571 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1507713529 NMRHSZGBWIGCMU-MRXNPFEDSA-N 442.589 2.116 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)c2nc(C)cs2)CC1 1507733361 WFFXTEVFPYGMHM-WDSOQIARSA-N 444.605 2.326 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507875549 TZCVZFUIFJCSNI-FXAWDEMLSA-N 425.961 2.424 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(N)=O)CCOCC2)CC1 1507885706 LPMWFEIITBZALC-UHFFFAOYSA-N 425.533 2.316 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1508092294 AXDAYGPCKISTGQ-UZLBHIALSA-N 441.532 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1508143357 YCIFWZPWJBEBLF-RBUKOAKNSA-N 443.573 2.480 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1517181512 DBQVSZCIGAFWHV-UHFFFAOYSA-N 447.952 2.275 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1519071110 GNOQHKAURARZIA-INIZCTEOSA-N 436.520 2.428 30 10 IEEE N#Cc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)cc1F 1525458780 QNVAWSIMIWCHRM-UHFFFAOYSA-N 448.199 2.208 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)C2 1526773410 MXFUHCAALGYWEG-QGZVFWFLSA-N 440.481 2.410 30 10 IEEE C[C@@H](C(=O)Nc1nc2c(cc1C#N)CCCC2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1535093709 ADFUBTAHGAKGPF-AWEZNQCLSA-N 427.505 2.238 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)[C@H]1c1nccn1C 1536356676 UTDXZEVXUYYDLU-PVAVHDDUSA-N 435.406 2.108 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccnc1C 1539004135 SAJCEMOHPVKKDE-MRXNPFEDSA-N 442.527 2.474 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1539045314 SGSLNWSORWJZPB-OAQYLSRUSA-N 436.560 2.472 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1OCCC1(C)C 1539179471 OSJYDMFDCFYYRZ-IRXDYDNUSA-N 433.553 2.471 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)[C@@H](C)CCC)CC1 1539444928 YDGMJOLJQGIZCN-SFHVURJKSA-N 426.540 2.392 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1539765217 DNJGNZCLNLOVLY-UHFFFAOYSA-N 440.529 2.120 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](OCC=C)C1 1540864074 ODCGQBFKIIRFNU-GOSISDBHSA-N 433.516 2.419 30 10 IEEE Cc1noc(CCCn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)n1 1543429730 VTBCSBWDEVKILW-NRFANRHFSA-N 429.525 2.383 30 10 IEEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1544456650 BWLQQJWVFRMMIL-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@@H]1C 1545535291 DNUDGZLDRADDNK-MOPGFXCFSA-N 438.580 2.106 30 10 IEEE COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)O1 1557389138 AXWKJRPXFSZPME-AZUAARDMSA-N 437.500 2.098 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)C1 1561913146 MAEBVLPHMHPJMQ-VIFPVBQESA-N 448.726 2.325 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nccn2CCc2ccccc2)c1 1587835884 MQTQKELXKLDQQU-UHFFFAOYSA-N 426.473 2.492 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588034026 AAKUIHQAAHPKAD-QUCCMNQESA-N 446.573 2.251 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1588229053 QERMIFBEVZBKFZ-FQEVSTJZSA-N 435.528 2.246 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594484046 MUZWTUGIBDWIHM-UHFFFAOYSA-N 435.598 2.141 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1594867674 OMLIKTQVIUBTQZ-QFIPXVFZSA-N 431.512 2.430 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CCS(C)(=O)=O)cc1 1595607591 HWFFJEMOSZVYEF-UHFFFAOYSA-N 429.546 2.378 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCOC(F)(F)F)cc1 1620351143 WGEQLOZPGDZRFN-LJQANCHMSA-N 434.422 2.460 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1622115623 IEAPHUVKKRXEEE-VXKWHMMOSA-N 442.537 2.488 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)C(=O)OC 1622226058 GTYFBHDKMUPLCG-LLVKDONJSA-N 439.125 2.363 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCc4sccc4C3=O)CC2)cc1 1624067055 BGCAUTANSOUEIJ-INIZCTEOSA-N 443.550 2.288 30 10 IEEE COCCN1CC[C@@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1628163556 RASTZHLQNZNVHQ-UYAOXDASSA-N 428.533 2.229 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1629339397 VZMIIDXKEGGZTB-FTRWYGJKSA-N 432.502 2.066 30 10 IEEE O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(C#CCO)c1 1630754775 UOCNKKGMWIFNKW-UHFFFAOYSA-N 427.400 2.133 30 10 IEEE N#Cc1cccnc1NCCNC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 1631239693 VTQGQDKKPLBCOJ-UHFFFAOYSA-N 428.924 2.193 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)n[nH]2)c1C 1637118647 FRZMTMNNNPTZMA-CYBMUJFWSA-N 442.911 2.234 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)cc1 1640672657 KITPXOZIFQXULB-MWTRTKDXSA-N 440.521 2.294 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1640675008 JZHOKHKQDBUQJC-ROUUACIJSA-N 433.553 2.391 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1642765356 MLMMDKFBBWSSPB-FQEVSTJZSA-N 428.510 2.136 30 10 IEEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)N2 1645515039 XSFBIQFODZYTDM-SFTDATJTSA-N 432.480 2.383 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)cc1 1645720730 CXASCSYFAXBAPB-NRFANRHFSA-N 436.487 2.006 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)c1 1646003868 CGKKUVTXENQHRP-UHFFFAOYSA-N 439.497 2.010 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCCOC1 1648040291 YNTJAZGGXHOTMU-HSZRJFAPSA-N 431.338 2.384 30 10 IEEE CN(CCc1cccc(C#N)c1)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 1654567953 ILNUPHITBAQWMX-UHFFFAOYSA-N 426.542 2.456 30 10 IEEE COC(=O)[C@@H](C[C@H]1CCCO1)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1654742318 AFTYLPREPLHZII-VQIMIIECSA-N 428.489 2.257 30 10 IEEE COC(=O)[C@@]1(C(F)(F)F)CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1655281590 DIAGWQSSRUEHKX-CYBMUJFWSA-N 441.225 2.437 30 10 IEEE COCCCNC(=O)[C@@H](C)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 1657273445 XQGQEBUGLHHKSV-QGZVFWFLSA-N 427.467 2.096 30 10 IEEE N#CC1(NC(=O)CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)CCC1 1659344680 RSGNDSAZNNEPRK-HOTGVXAUSA-N 426.414 2.225 30 10 IEEE CS(=O)(=O)c1ccccc1CCNS(=O)(=O)c1cccc(Br)c1C#N 1665417174 BIFYSCGBEPIZCC-UHFFFAOYSA-N 443.344 2.245 30 10 IEEE C#CCOc1ccc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1672951959 NPSYZSQIXYBWJH-MAUKXSAKSA-N 430.448 2.350 30 10 IEEE C=CC[C@@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)c1ccncc1 1679025961 FSEWWJZYOZAFPY-LJQANCHMSA-N 431.514 2.286 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)CC1 1684696673 CYBCFBRWXCROBF-HXUWFJFHSA-N 436.553 2.242 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689983481 CELDUTQRQIGJKX-MRXNPFEDSA-N 443.554 2.085 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1 1690092653 PWPXTFAUGFLCAA-QZTJIDSGSA-N 426.521 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCn1cccn1 1690236011 HHNYOYYABKSZPG-MJGOQNOKSA-N 436.520 2.240 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(OCCOC)CC1 1690244368 WVUTWGVJWDKKOO-XLIONFOSSA-N 428.537 2.348 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CCO1 1690955971 IBAOOUALIKBVNU-VQTJNVASSA-N 440.573 2.444 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1692668443 LTNYDQXPOUBZRI-CRAIPNDOSA-N 433.534 2.350 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1696496163 QTLHCSUSEWSHDO-IYBDPMFKSA-N 448.618 2.476 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCOCC2)C1 1697000547 BXEBWPBRZDTFPN-UHFFFAOYSA-N 426.546 2.055 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)c1 1697303413 QQDCVVPVUCNMSW-IIBYNOLFSA-N 431.468 2.210 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1705480510 VZMYGIJZOUAUNJ-UZUQRXQVSA-N 425.533 2.186 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN2CCOCC2)CC1 1705519927 BRMNZQAUDZQFSN-UHFFFAOYSA-N 439.608 2.492 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1705604363 KZEWGMGIZCREAD-HNNXBMFYSA-N 439.969 2.422 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1705611746 OLMXEJFGTDYKID-GOSISDBHSA-N 449.559 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(C)CN(C)C1=O 1705630518 WALCIUKUHLMPSP-QHCPKHFHSA-N 425.533 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705649701 FBBPKFNVFZVHMW-NZQKXSOJSA-N 448.571 2.211 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705699217 DMTBUVJEBYWETB-PKOBYXMFSA-N 437.610 2.387 30 10 IEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705754779 FXDQMPGUYWTHAZ-XJKSGUPXSA-N 426.926 2.412 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705827965 WWJIQPKSQMMVFA-OAQYLSRUSA-N 438.576 2.281 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CS(C)(=O)=O)c1 1705846625 MPTPLRMIYLOSQV-UHFFFAOYSA-N 428.562 2.355 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1705873589 ORJFPHAZRUYAPM-KRWDZBQOSA-N 435.532 2.493 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COCC)C1 1705904290 LOENWMWCXFGTDV-PXNSSMCTSA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCOC2)C1 1705906626 KVHSETCNMSKHLK-QHCPKHFHSA-N 425.533 2.393 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCOC2)C1 1705919994 OCZDSDCLJAKDMH-WMZOPIPTSA-N 432.546 2.166 30 10 IEEE Cc1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)n(C)n1 1707803988 CVUDZDZCKCQAGC-DOTOQJQBSA-N 425.468 2.376 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(I)cc1 1707911944 SIOSNNWLFSVIKM-KRWDZBQOSA-N 448.312 2.416 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1710499149 GNLCUKRFKHTSII-CVEARBPZSA-N 434.566 2.382 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1711285872 XKYXPDBIPCUTBD-LBPRGKRZSA-N 436.358 2.414 30 10 IEEE COCC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712326736 GGWQLCWPNDQZSI-HSZRJFAPSA-N 441.580 2.247 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@@H]2CCOC2)CCO1 1712884358 KLBWSYOVIKOTOZ-ICSRJNTNSA-N 429.496 2.180 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCS(=O)(=O)C1 1722392658 QFIWCHXATSFOQB-GOSISDBHSA-N 433.537 2.391 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2Cl)CC1 1722442083 XEWLQTIJOSQONL-UHFFFAOYSA-N 444.942 2.191 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722456226 UZDQXGHOQQXADE-QGZVFWFLSA-N 445.556 2.083 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1722492808 VEQLWWNDDCQIRB-XHSDSOJGSA-N 443.639 2.201 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1722699081 REFXVMJJCFWFKW-MRXNPFEDSA-N 443.548 2.240 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722728907 CLKIKYIFECZLKK-CTNGQTDRSA-N 443.617 2.451 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(F)c1 1722729356 ZIMOSZSUDCXZEL-HNNXBMFYSA-N 426.489 2.297 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1722849435 USARCUFVLRHPPY-JOCHJYFZSA-N 448.527 2.308 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)CC(F)(F)F 1723192781 VEVDYSXOJCMMSF-UHFFFAOYSA-N 436.486 2.489 30 10 IEEE C[C@@H](COCc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1723883983 HCBDZJHPVNNXNO-QUCCMNQESA-N 438.532 2.096 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N 1729220744 DONUJCWQLBGJIE-LBPRGKRZSA-N 428.921 2.415 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CSCCS1 1740542125 OJHWMSUEIFBVSY-YOEHRIQHSA-N 426.575 2.227 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCNC(=O)C2CC2)c1 1740564604 RXAHVBMVIYVBHS-UHFFFAOYSA-N 436.560 2.449 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740709294 LWOSCKHDTSLHRP-WOJBJXKFSA-N 446.665 2.394 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740750104 LTUBGZNHBNMNFL-BJLQDIEVSA-N 446.596 2.283 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C 1740762256 SDHQFDHONWLEBI-ILOCAZANSA-N 440.635 2.492 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740793281 QPRPHYYZWUKNKC-KRWDZBQOSA-N 437.504 2.107 30 10 IEEE Cc1cccc(N(C)c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1742140656 JHRBYSIKXXXHNF-CZIZESTLSA-N 437.504 2.019 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4ccc[nH]4)nnc3N(C)C[C@H](C)C#N)cn2)CC1 1746440050 DNGSAMQVVITEMS-GOSISDBHSA-N 433.564 2.454 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1748682626 ZHZKREUYALNBGV-INIZCTEOSA-N 437.573 2.372 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748818099 VOSRBEHCUQYWHR-WOJBJXKFSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)noc1C 1748846647 JIJSMOSMMCVLNI-UHFFFAOYSA-N 444.543 2.432 30 10 IEEE COc1cccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1748968029 JSECBWAWGXWHMJ-LAUBAEHRSA-N 428.468 2.149 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC)N2CCCC2)CC1 1749010156 OKXACMHEVKJMQB-SFTDATJTSA-N 442.608 2.360 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749109135 DQQSMBBXVPDRLH-JKSUJKDBSA-N 448.369 2.105 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1749467643 WEQKGGBZASIVMU-QHCPKHFHSA-N 427.549 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1749667092 SSRPCOOEOWBVGF-UHFFFAOYSA-N 448.453 2.339 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1749668880 FWZKBEKNCJAZKD-KSSFIOAISA-N 449.914 2.455 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1750199430 PKAFSSVBFHKKRH-FQEVSTJZSA-N 449.508 2.331 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760123042 XMBBLMCFPMABDM-RTBURBONSA-N 425.533 2.118 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1760273886 BUNOOZMQVANOGQ-JKSUJKDBSA-N 425.624 2.271 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCN(CC)CC2)CC1 1760383565 UGMMHURZZPZKPB-HSZRJFAPSA-N 432.613 2.114 30 10 IEEE C=CC1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1760406059 QJEPWQWWGBTQJP-OALUTQOASA-N 437.610 2.421 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760455448 PXCAJUZAOPKRPB-QPPBQGQZSA-N 441.576 2.453 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1760521896 GZZWLEDLDHWKRT-UHFFFAOYSA-N 442.564 2.469 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760523240 QRUILRALTQHPIH-YOEHRIQHSA-N 425.518 2.065 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)C1 1760542316 LKYZWDAVZCHGAS-HOCLYGCPSA-N 432.912 2.138 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1763512039 CYVPRFDWWDDAAI-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE CCCNC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1766267170 UZZKXVUFUILPEH-HSZRJFAPSA-N 440.548 2.353 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1767278495 HQDFTYPCAISDDB-UHFFFAOYSA-N 438.517 2.304 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1769094841 LPEZVWNKKLNXSJ-LJQANCHMSA-N 440.548 2.221 30 10 IEEE CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1770454932 DTYNFWZHZSLSKB-OAHLLOKOSA-N 429.550 2.433 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1770803637 YKIZOYKEWUIIEZ-HOCLYGCPSA-N 443.401 2.481 30 10 IEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1cc(C(C)(C)C)no1 1771113475 WGMKKQCDZFWRIZ-UHFFFAOYSA-N 429.525 2.101 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 1772789438 FYSHDJYAJUEWQT-UHFFFAOYSA-N 434.857 2.493 30 10 IEEE Cc1ccc(C)c(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 1851517983 QIQZCACRBAEHSY-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nccc(C(=O)N3C[C@@H](C#N)CC3=O)c2Cl)CC1 1853044445 IPTLDJBYCQACLW-CYBMUJFWSA-N 433.896 2.304 30 10 IEEE COc1cccc2c1C[C@@H](C(=O)O[C@@H]1CON(S(=O)(=O)c3ccccc3C#N)C1)CC2 1853683346 VPYRSQJPTGNNRF-WMZOPIPTSA-N 442.493 2.220 30 10 IEEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C(=O)[C@H]1C 1854295786 MITXLNBQAPBBJC-CYBMUJFWSA-N 445.994 2.048 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)[C@@H]3CCCOC3)c3ccccc32)cc1 1854481291 UERAFRIWTCQVPA-MRXNPFEDSA-N 425.466 2.053 30 10 IEEE N#Cc1ccc(CCC(=O)O[C@H]2CON(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)cc1 1855442975 HITPNARNNZQZQA-LJQANCHMSA-N 436.436 2.458 30 10 IEEE CC1(C)COCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccc(C#N)cc1 1856303432 JJPFJNYXWLEFSI-UHFFFAOYSA-N 425.466 2.045 30 10 IEEE C=C[C@H](O)C[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883403032 RACMYMDFKMIGRS-PSXDQHQZSA-N 429.494 2.274 30 10 IEEE C[C@H](C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1)N(c1ccccc1)S(C)(=O)=O 1892109233 HALOQMIXOZAOTF-QGZVFWFLSA-N 441.557 2.235 30 10 IEEE CN(Cc1c(Br)nnn1C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2124445336 QOCHZJSKRMGJCF-NSHDSACASA-N 429.319 2.123 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 2247816895 HFOCHOKBSNMILF-ZDUSSCGKSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247832286 MKAASFFGQSXDAW-IMRBUKKESA-N 435.355 2.037 30 10 IEEE CC1(C)OB(c2ccccc2S(=O)(=O)N(Cc2ccccc2)C2CNC2)OC1(C)C 2247896713 JKIWTRCBZRNULW-UHFFFAOYSA-N 428.363 2.149 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247921335 NIGDRPXGWONHTD-OCCSQVGLSA-N 437.371 2.475 30 10 IEEE C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248445387 LIBVARMLJIWJLN-AAEUAGOBSA-N 443.350 2.310 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255539722 COWQXAPDWANKFZ-PEBXRYMYSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255602447 SKWLEISKAXISEM-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE Cc1ccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255677881 LULYHYGDQKEHKI-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE C[C@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255808364 IOCCNPFSECHRCE-AWEZNQCLSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256682391 YTQAZFATWKSDEO-CYBMUJFWSA-N 438.305 2.197 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2264618927 SHCNUGXQVLMSPU-HOTGVXAUSA-N 447.341 2.080 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007750 AVRAYZZFKAISJB-XLIONFOSSA-N 438.381 2.360 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267134215 MNYBKVPTHMLGSO-CYBMUJFWSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267141063 VHADEZKMNAVRHA-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267180196 YHXUDJHBUSKMPN-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267503694 HUWRLPZMMYCBLG-LJQANCHMSA-N 438.381 2.422 30 10 IEEE C=C[C@@H]1COCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br 2285407968 XVTQLHDPGTUHSP-SECBINFHSA-N 426.130 2.369 30 10 IEEE CC#CCN(CC(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2300579636 BNZPDBXWFBEUGX-HSZRJFAPSA-N 429.517 2.092 30 10 IEEE COc1nc(N(CC(=O)N(C)C)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2317501539 LFLGNFKWGATVQW-UHFFFAOYSA-N 425.338 2.484 30 10 IEEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327901962 CYYPWXVHKAMPTI-AWEZNQCLSA-N 433.534 2.073 30 10 IEEE CS(=O)(=O)C1(C#C[C@H](N)[C@H](O)c2scc(Br)c2Br)CC1 2367816733 PMIIBBHUUCUZLQ-WPRPVWTQSA-N 443.182 2.214 30 10 IEEE CS(=O)(=O)C1(C#CC(=O)[C@@H](O)c2scc(Br)c2Br)CC1 2367847500 NVYFXOKFBSZHHS-SNVBAGLBSA-N 442.150 2.456 30 10 IEEE COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc(I)c1OC(C)=O 13915300 FKNLESQNZNTOKE-CQSZACIVSA-N 444.225 2.442 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1C 102519117 WHSNCFKNVQXCTR-ORKPOYISSA-N 429.473 2.303 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 103937025 HWHGOPRZXDQANV-CCCHMHNHSA-N 448.501 2.141 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 426766131 XBJYDFSFWLNCPB-UHFFFAOYSA-N 439.564 2.374 30 10 IEEE CC1(c2cc(NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)no2)CCCC1 435100021 BCADLRVVSYYHID-QGZVFWFLSA-N 435.484 2.628 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(C#N)cc1C 439859804 SEBWKFQJVJCDSD-UHFFFAOYSA-N 428.514 2.064 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 460792628 JOOKBPHMIRRBML-LJQANCHMSA-N 429.496 2.434 30 10 IEEE COc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1S(=O)(=O)NC(C)C 461276815 MJSIUQQAXGNZFV-UHFFFAOYSA-N 440.485 2.087 30 10 IEEE COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465378641 FILFBQFWYQULPL-UYAOXDASSA-N 447.557 2.463 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)CC)n(-c2ccccc2C#N)c1=O 478846541 TUSHOAOOBZHTNR-UHFFFAOYSA-N 445.548 2.495 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)c(F)c1 481075173 RNSVYHCVSDXAJE-UHFFFAOYSA-N 449.529 2.374 30 10 IEEE CCOC(=O)c1c(NC(=O)NCC[C@H]2C(=O)Nc3ccccc32)c(C#N)cn1CCOC 481371848 PLIGHGWXLCVBRL-MRXNPFEDSA-N 439.472 2.430 30 10 IEEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2ncccc2C#N)CC1 502802445 MDOXTDIBWCQDFU-SFHVURJKSA-N 427.530 2.037 30 10 IEEE C=CCn1c(N2CCN(c3nccn(C)c3=O)CC2)nnc1C(F)(F)Oc1ccccc1 508929934 JSTCDEDUZJNBIF-UHFFFAOYSA-N 443.458 2.013 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 523665093 HGHNYWOHCFXBNT-UHFFFAOYSA-N 441.509 2.313 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1CC 534510938 WXNXUQXUELRAQI-UHFFFAOYSA-N 447.582 2.378 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1=O 543085360 TYOWANUNGPPDPP-IBGZPJMESA-N 430.468 2.400 30 10 IEEE C=CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 548738009 UDLDLUSXKHWSHQ-LBPRGKRZSA-N 431.308 2.443 30 10 IEEE COc1cc(CNC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1C#N 572212721 VKNYYXPQRWXKIE-UHFFFAOYSA-N 442.541 2.467 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCc3cccc(Br)c3C2)c1 574006349 PIMKDXOMEMNLHO-UHFFFAOYSA-N 434.315 2.184 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 582872840 JIOYDUAPTPWOOB-IBGZPJMESA-N 429.546 2.091 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N(C)CCOCc1ccc(C#N)cc1 589005612 ZYWXIZPXEDUAHU-LJQANCHMSA-N 445.545 2.412 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC3(CCCCC3)C2)CC1 610216217 DUIPSWVZNUMPOL-UHFFFAOYSA-N 430.574 2.047 30 10 IEEE COCCN(CCC#N)C(=O)Nc1cc(I)cc(C(=O)OC)c1 611170130 LKFCOCLTOKOXSK-UHFFFAOYSA-N 431.230 2.472 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccnc(C)n2)cc1 730142411 ORJKAWGIXZVHRM-LJQANCHMSA-N 440.573 2.293 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2[N+](=O)[O-])C1 732153474 HUOYDYYFZGEQKX-GWIYSKNGSA-N 441.488 2.333 30 10 IEEE CCOc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732678977 QLYHZTMAWZDXKT-KRWDZBQOSA-N 426.546 2.221 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2c(c1)OCCO2 733202682 VRMJPQWMMLKOKJ-KRWDZBQOSA-N 437.481 2.231 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H]3CCCC[C@H]3C)n(CCC)c2=O)cn1 735069614 XTBJBLQRZCGKPR-APWZRJJASA-N 441.601 2.124 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCSC)c1 735970320 ZXYKOZHAJWMYQX-GOSISDBHSA-N 432.615 2.420 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sc(C)nc2C)c1=O 736586869 JNYROOCOWLYHGC-UHFFFAOYSA-N 431.583 2.282 30 10 IEEE Cc1cccc(Oc2ccccc2NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 737304669 ABBOBZOCYMSUNT-MRCUWXFGSA-N 434.452 2.368 30 10 IEEE Cn1cc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cnn(-c3ccccc3)n2)cn1 741158739 IKZGBHGPAHXKCJ-IBGZPJMESA-N 434.529 2.493 30 10 IEEE Cc1noc(C2CCC(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 753308402 HNZWZVVFGWWURZ-GRTSSRMGSA-N 431.518 2.038 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC2CCC(C#N)CC2)c1 755955583 KOBQJVOTFYBSJE-UHFFFAOYSA-N 435.546 2.320 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(I)cc(C(=O)OC)c1)[C@@H]1CCCO1 775689154 DRJHIMRVWNIEAX-KBPBESRZSA-N 428.226 2.380 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC)[C@@H]1CCS(=O)(=O)C1 782107545 XZYQFEPBFGFUKM-GOSISDBHSA-N 449.573 2.355 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NCC3CCN(S(=O)(=O)C(F)(F)F)CC3)CC2)c1 796378984 CWXYQEWBDHCRNN-UHFFFAOYSA-N 433.427 2.407 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797426253 FAABXPVLEWHAJO-RCCFBDPRSA-N 432.594 2.091 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCc1cccc(C#N)c1 808655237 ZUXVGOWFYCZDMD-UHFFFAOYSA-N 443.525 2.250 30 10 IEEE COc1cc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1C#N 810869246 DAUZXCLWJYSVAH-UHFFFAOYSA-N 438.509 2.044 30 10 IEEE C#C[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)c1ccc(F)cc1 812750612 BKGOXLVVVKXYSF-NRFANRHFSA-N 429.517 2.077 30 10 IEEE C=CCN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)c1nc(-c2ccccc2)cs1 1124352523 IYWNZZISFCMUCR-UHFFFAOYSA-N 429.527 2.474 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cccc(C#N)c2Br)C1 1136517040 QKEUIXUFZZDXMM-CQSZACIVSA-N 436.306 2.194 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CCN(CC(F)(F)F)CC2)s1 1161781251 WXVFVHPOMJQLHE-UHFFFAOYSA-N 439.525 2.240 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OCC 1176173403 QCFCOPZOKHDIOR-CYBMUJFWSA-N 433.324 2.033 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)cc21 1179494994 UAHQPTOGKXHEFN-KRWDZBQOSA-N 425.876 2.488 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncc(Br)n2C1 1180641049 UIBVAWIBFHRCQL-STQMWFEESA-N 425.327 2.383 30 10 IEEE COCC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1208291379 HYAPTXNREWHXGC-UHFFFAOYSA-N 438.303 2.384 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)cc1 1216704607 ASSZHIUUXNGCCM-DJJJIMSYSA-N 439.501 2.009 30 10 IEEE C=CCn1cc(CNC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)nn1 1276651587 PFKZIQVEBDMHPL-KRWDZBQOSA-N 443.504 2.464 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1C(F)(F)F 1286360217 DPLDHGBUPNEACP-ZDUSSCGKSA-N 429.468 2.219 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286392722 MXMABWVABFCGPK-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286394012 SXXYBSDOSRGQIX-MOPGFXCFSA-N 447.630 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1286408467 DNGHAJMKJQCRAN-FQEVSTJZSA-N 445.489 2.437 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1286410071 ROYGNWVAEPOFNU-PZJWPPBQSA-N 443.617 2.050 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(=O)NCC)c1 1286465372 LVRIOPXMYNHPNH-FQEVSTJZSA-N 425.533 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2cccc(C)c2)CC1 1286490413 UNIUGDSSCSKIBG-UHFFFAOYSA-N 447.543 2.032 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1286505253 WMQIKVZPJSUXLC-SFHVURJKSA-N 425.558 2.084 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286627643 LIMUZCGVRQJZET-MRXNPFEDSA-N 431.884 2.217 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1286719237 YZCVFBYMFODHFX-UHFFFAOYSA-N 426.546 2.480 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 1286767568 ATCIELQPTBHPHV-WIYYLYMNSA-N 438.576 2.315 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1286788929 KCJDONCGDVGLLZ-DEOSSOPVSA-N 432.528 2.318 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C(C)(C)C)C1 1286810063 NIUQVGUHGBOFKZ-ZACQAIPSSA-N 426.583 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CCc1cnccn1 1286816328 HJTPPELXFHVYSR-UHFFFAOYSA-N 426.546 2.323 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1288125762 LIIGSJUNABCSJE-JOCHJYFZSA-N 433.520 2.380 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccncc1Cl 1288803321 RYDGGQJVQKPVNM-CYBMUJFWSA-N 437.957 2.115 30 10 IEEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CC2)n1 1290901502 BFICGBXTGDGXCB-SJORKVTESA-N 449.563 2.342 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1300310386 MQXABBWGKGITOO-WMZOPIPTSA-N 431.537 2.391 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1300497105 XMDQHQVBIYEAIR-RTWAWAEBSA-N 442.585 2.410 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300875260 MRRLIIRTNIEUGO-UFYCRDLUSA-N 441.557 2.421 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301084849 YHHAVFYECVPTNP-WMZOPIPTSA-N 444.511 2.027 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301188146 GMAYKVMODVURFZ-PKOBYXMFSA-N 432.594 2.339 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301509257 DPHLCVDCWQKLMU-YZGWKJHDSA-N 425.533 2.329 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc([C@H](C)OC)n2)C1 1301565975 IFBMYHXWJSYCOR-DOTOQJQBSA-N 446.577 2.394 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1302095901 FZJKDLCCSYSHKY-NSISKUIASA-N 446.527 2.173 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1302825207 GKPPLDALEWRUQL-NRFANRHFSA-N 426.546 2.341 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1303500006 BTLUXGPXWYELHD-JTHBVZDNSA-N 444.580 2.494 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1304467792 SBFXZJLUULXUHO-VLGSPTGOSA-N 429.431 2.020 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1c(C)cccc1C 1316298359 VYKASVAJIMPMEH-ZVDOUQERSA-N 441.532 2.427 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)c1 1316531230 MXSMLFXIRPVMKU-SFHVURJKSA-N 427.459 2.275 30 10 IEEE CCOCCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cccc(C)c1 1318305555 GCFOVUSUOXHQAB-UHFFFAOYSA-O 436.579 2.303 30 10 IEEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358951037 GKSRBFLXYGRMKS-JOCHJYFZSA-N 447.587 2.362 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1359040671 DCMGUXJEXGYUCT-KRWDZBQOSA-N 448.571 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@@H]2C[C@H]2CCC)CC1 1359048045 CSYIJHVYNLQKBX-WCIQWLHISA-N 429.565 2.329 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1359103633 QRMQVKRRYKWVFZ-WMZHIEFXSA-N 439.560 2.332 30 10 IEEE C=C[C@H](O)C(=O)Nc1cc(I)cc(I)c1 1450549163 UHJJSXMNCAYGRI-VIFPVBQESA-N 428.995 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 1458495026 ARAPGXXSRTZICO-UHFFFAOYSA-N 444.492 2.261 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4ccc(C#N)o4)CC3)[C@@H]2C1 1461659457 SLVWXBBEMLMGDG-WBVHZDCISA-N 430.461 2.196 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)CCc2ccc(C#N)cc2)C1 1462716686 CHHBVXRNLBUUTA-GOSISDBHSA-N 435.546 2.031 30 10 IEEE COCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C(C)(C)C1 1469749583 ZDDBWKXJCJJWBA-FRIYVGAWSA-N 434.581 2.342 30 10 IEEE COc1ncc(Br)cc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1470196518 XBXQVLHINKYIGW-UHFFFAOYSA-N 442.266 2.219 30 10 IEEE C=CCn1cc2ccc(NC(=O)N3CCN(S(=O)(=O)CCOC(C)C)CC3)cc2n1 1477121242 ISZLBQOLMNGDEJ-UHFFFAOYSA-N 435.550 2.127 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1501416411 KUPQRNWPZNHCKG-UXHICEINSA-N 449.559 2.038 30 10 IEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C(C)C 1502190272 CVHBXOWSUPAOFV-KRWDZBQOSA-N 432.594 2.416 30 10 IEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1502485745 DKXXBIZQVOZSNB-UHFFFAOYSA-N 449.519 2.166 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCc1ccsc1 1503437634 BGMVZGYTZXDKIJ-UHFFFAOYSA-N 436.541 2.416 30 10 IEEE COC(OC)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1504010744 XZSSNXZCVAEVQR-HRAATJIYSA-N 428.468 2.011 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)F)CC1=O 1504898988 BMTTYOHNMNQCNH-MRXNPFEDSA-N 432.475 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccc(C)s1 1507538989 ZCOYIJYPXTWEJR-HNNXBMFYSA-N 444.586 2.070 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507633818 ILHWRYJHTNKVPC-WMZHIEFXSA-N 444.601 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1)N1CCOCC1 1507708435 IAZFUWRHKWTBNC-HSZRJFAPSA-N 446.555 2.500 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507847993 SMZQZCGGEILMQW-LJQANCHMSA-N 445.568 2.447 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1507868903 QBEIKSRYNRVPIT-HZPDHXFCSA-N 429.974 2.156 30 10 IEEE C=C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1507889665 QSBRAFJWKMHGIH-UHFFFAOYSA-N 428.562 2.398 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1507965846 WCONJOTZZRUWCH-UHFFFAOYSA-N 439.568 2.142 30 10 IEEE C=CCNC(=O)Cn1c(N(C)C[C@@H](c2cccs2)N2CCOCC2)nnc1C(C)(C)C 1508095083 SFADQKVFYRGTTQ-KRWDZBQOSA-N 446.621 2.449 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508161242 YRIBMRHNKNRTLP-RTBURBONSA-N 448.637 2.182 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC(F)(F)CO1 1513019712 MNMRZGKSMIWOFZ-GOEBONIOSA-N 448.522 2.456 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1513190036 KIMQLWOWMQSKQA-QGZVFWFLSA-N 436.564 2.129 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1515792259 FFEXFEWDKFJITP-QGZVFWFLSA-N 447.547 2.170 30 10 IEEE CN(C)CCOc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)c1 1517009076 HLEXLEBFGJXYAG-UHFFFAOYSA-N 434.548 2.407 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)C(F)(F)F 1517785439 ALLXGBAZHRCEBN-YESZJQIVSA-N 448.449 2.499 30 10 IEEE COCCOc1ccccc1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1519350566 INXJMLHPOHGNED-QGZVFWFLSA-N 448.531 2.037 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCOCC(F)F)cc1 1521095567 MXEYUHHYYFFTCJ-QZTJIDSGSA-N 433.459 2.483 30 10 IEEE C#CCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@H]1CCS(=O)(=O)C1 1537468722 AMEATSGIAJRXBO-ZDUSSCGKSA-N 442.360 2.018 30 10 IEEE Cn1cc(I)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 1537813575 HTHITAUXEMMMNU-UHFFFAOYSA-N 449.296 2.291 30 10 IEEE C=CCn1cc2ccc(NC(=O)c3ccc(S(=O)(=O)CC(=O)N(C)C)cc3)cc2n1 1538314529 PZCWDOYYAZTGAQ-UHFFFAOYSA-N 426.498 2.337 30 10 IEEE C#CCN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)C1CCN(C)CC1 1538520494 YUQWCAVFXDEVHB-UHFFFAOYSA-N 431.583 2.312 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1539459373 FUYOHOGAGWXXNC-NRFANRHFSA-N 434.544 2.299 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(Cc3ccncc3)CC2)C1 1540596727 XFRJOXCYIHZPPF-UHFFFAOYSA-N 440.345 2.496 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)C1 1540887093 PRBCDOFWUYVHKK-ZDUSSCGKSA-N 444.845 2.453 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1541664385 DXBZBOXXDXXXMP-JPZYQRIQSA-N 442.589 2.473 30 10 IEEE CN(C)C(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(F)c1 1543324905 VMJCOESHBCJNIG-SFHVURJKSA-N 437.431 2.243 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@H]1C 1547638834 FWHMJCCFYYLBPJ-MSOLQXFVSA-N 433.564 2.497 30 10 IEEE CCOC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1547932273 IAFPAFNXGFDOBM-INIZCTEOSA-N 444.561 2.348 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC[C@H]1C 1555188490 RTCYIIYRJFPSJD-XLIONFOSSA-N 436.520 2.272 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc(C(=O)NO)cc3)C2)C1 1556382201 YPYMJHDBBXQTQH-JQHMZKTJSA-N 428.489 2.209 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1OC 1583857830 NOJOHNPVPQULKN-SOFGYWHQSA-N 429.561 2.186 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC2(C1)OCCO2 1587580162 NFHBJSGXICEIDP-IRXDYDNUSA-N 444.557 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)CC1 1587950935 KUPMFPINNZUMBK-UHFFFAOYSA-N 432.565 2.387 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1588054243 MKLVAZGATJOZOE-ROUUACIJSA-N 436.578 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(C2CC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588128836 UCUPITQCOBLHPP-GBESFXJTSA-N 425.533 2.253 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1589027413 NYLAYCVOOKRICH-UHFFFAOYSA-N 440.617 2.132 30 10 IEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589367400 TTZLWKNPYKFQNG-MRXNPFEDSA-N 426.340 2.197 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1594497648 LEEZLKIGUSPCHV-IKGGRYGDSA-N 435.594 2.030 30 10 IEEE C=CCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1594774614 LTAPEHRKMRALNC-FXAWDEMLSA-N 426.583 2.300 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 1595477473 VMSOLMKEAVEUGI-ZWKOTPCHSA-N 441.532 2.336 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 1595721805 GRVOORXRBQMMFO-MOPGFXCFSA-N 446.573 2.213 30 10 IEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)c1 1612345063 HIVIQMFLJGALSM-UHFFFAOYSA-N 431.504 2.267 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1614983421 FHQRBGYAYUYRRS-GOSISDBHSA-N 438.532 2.228 30 10 IEEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1615509771 QGUBPMVURZWULK-CTNGQTDRSA-N 429.561 2.232 30 10 IEEE CCOC1CC(O)(Cn2c([C@@H](C)CC)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1616564351 POLUTRPWMIUUMT-KKXDOQTMSA-N 426.521 2.257 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CC1CCN(C(=O)OC)CC1 1619910998 CGXGXHDYVKBGCR-UHFFFAOYSA-N 429.525 2.128 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1624004497 PCCCJBYKBVEPCR-UHFFFAOYSA-N 442.560 2.355 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)cc1OCC 1626268984 CFABDEZVXTZHBO-UHFFFAOYSA-N 446.529 2.139 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)C2=O)cc1 1632329013 ZZSAZHSUVSVOOL-XMMPIXPASA-N 449.486 2.122 30 10 IEEE N#CCCN1CCN(C(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 1633690786 DWNQIGRXKKGYRB-GOSISDBHSA-N 437.466 2.437 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC1 1635881832 GWDCRIGTZWOHLL-IMFGXOCKSA-N 431.537 2.072 30 10 IEEE C[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C 1637309011 GYHBNEWWAWNUHD-LPHOPBHVSA-N 449.573 2.482 30 10 IEEE Cc1cc(NC(=O)COc2c(Cl)cc(F)cc2C#N)n([C@H]2CCS(=O)(=O)C2)n1 1644070886 RJXZUQPWSIUNRB-ZDUSSCGKSA-N 426.857 2.233 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1cnc2n1CCOC2 1647298261 YQXWNZAURKOYFG-HXUWFJFHSA-N 437.500 2.436 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n(-c2ccccc2)c1C 1648244054 OGEQSNJAHGFQER-ZWKOTPCHSA-N 426.542 2.271 30 10 IEEE N#CCc1ccc(NC(=O)CN2C(=O)c3cccc(Br)c3S2(=O)=O)cc1 1652246391 NBYJNJHUBPXAGB-UHFFFAOYSA-N 434.271 2.298 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 1653781169 BRIJKLVHUOADSB-UHFFFAOYSA-N 448.526 2.447 30 10 IEEE N#Cc1cn(CC(=O)Nc2nc(-c3sccc3Br)cs2)c(=O)nc1O 1654223550 KSHZVFPDUODTOF-UHFFFAOYSA-N 438.288 2.407 30 10 IEEE Cc1nc(=NC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)n(-c2ccc(C#N)cc2)[nH]1 1654343707 DAOBTNPVVSOZTK-INIZCTEOSA-N 433.491 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1654811625 KLZUWRZGZHGACS-MRXNPFEDSA-N 435.452 2.096 30 10 IEEE CC1(C)CC(=O)c2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c(O)nc2C1 1654811874 PZVHAHIGXJNTIV-UHFFFAOYSA-N 437.452 2.460 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)CC1 1659881388 NUZOAGAJGQOAJI-XSDIEEQYSA-N 447.624 2.304 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 1660202428 AOAOXBNHQJPYAX-VQTJNVASSA-N 435.613 2.400 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)c1 1664432659 XENDDYMGTIZQLX-UHFFFAOYSA-N 434.315 2.099 30 10 IEEE CC#CCCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)[C@@H]1COC[C@@H]12 1682732193 DCLFOXOSALAGIN-FIQGOXITSA-N 426.557 2.069 30 10 IEEE C#CCN(C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)C1CCN(C)CC1 1684818286 KUUBKNQYQCQRDS-SFHVURJKSA-N 433.350 2.441 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NCCc2cc(OC)c(OCCC)c(OC)c2)CC1 1686472991 AZQWFNBNCDHXBY-UHFFFAOYSA-N 431.533 2.206 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)NCC3(C#N)CCCC3)C2)C(=O)C1 1686944981 KJDDTQKBVJLENP-KRWDZBQOSA-N 433.553 2.324 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)NCc3nc(C#N)cs3)c3nccn32)C1 1687729920 WVJAKHOJKLMWOG-CYBMUJFWSA-N 429.506 2.101 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1689991803 CPUMAFIETKBLTN-SFHVURJKSA-N 446.573 2.169 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1690225524 BORYALJROILLFB-UHFFFAOYSA-N 436.358 2.330 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690275090 TXUSQBSHOZSVBB-QGZVFWFLSA-N 435.598 2.194 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690295708 KEQURZJRUVWZPH-LJQANCHMSA-N 429.496 2.400 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690340496 UGNWITLYLYQJSC-INIZCTEOSA-N 425.942 2.123 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1690465143 STUQEVPJWRWGPT-LEWJYISDSA-N 438.576 2.487 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N2CCOCC2)CCSC1 1690512241 RFZCTSRKIVDJQO-NRFANRHFSA-N 436.626 2.027 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1690567981 WTHPJIQXAUGRFB-OAQYLSRUSA-N 436.553 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690662824 FBYDJPCYASBPJQ-INIZCTEOSA-N 443.529 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690662981 IEKVPBTXHZSLGB-SJORKVTESA-N 426.477 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(C)C 1690717811 RJUUBSJXOMOECB-UHFFFAOYSA-N 440.591 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1690730182 ZLTVTCROTCDNNZ-GOSISDBHSA-N 438.525 2.132 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690972657 FMPWYYMATPNMEN-QQMNAOGKSA-N 438.532 2.116 30 10 IEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1693829572 AYTFAOKOWBAPEZ-IPMKNSEASA-N 440.548 2.063 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1695037726 FZALULAXSCTNOR-RXVVDRJESA-N 431.562 2.381 30 10 IEEE CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1695752914 USJDZDMBUVNABB-UHFFFAOYSA-N 448.579 2.002 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1Cc1cnnn1C 1698048856 AIRDJXGQZPSSKR-UHFFFAOYSA-N 429.488 2.042 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705536848 YFOVNVOTORFEKL-UHFFFAOYSA-N 443.555 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC=CO1 1705626899 MYJICTXBFCUMPR-QGZVFWFLSA-N 444.561 2.017 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C)CCC2)CC1 1705645233 ONFKUDDXLSMIHQ-HSZRJFAPSA-N 429.565 2.086 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCOCC)CC1 1705646118 RQVTVLRRLQOOLD-UHFFFAOYSA-N 432.528 2.496 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1Cc1ccccc1 1705652330 VWILUYJGBMIDDF-MJGOQNOKSA-N 447.630 2.466 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705657832 SJBMCSCEWWZWSS-HXUWFJFHSA-N 439.585 2.448 30 10 IEEE C=C(Br)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1705692364 HOVPMEVVWVPRJY-UHFFFAOYSA-N 427.391 2.131 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](OCCOC)C1 1705706359 SRYVIWRZFZLSJC-VWPQPMDRSA-N 444.580 2.363 30 10 IEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705822222 XGEZGPDLLMARAF-SFHVURJKSA-N 433.578 2.336 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1705873766 UXGWSLNQKUDLPI-UHFFFAOYSA-N 426.521 2.443 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1705921334 PZYYRTAGQGDCLV-XAEMIUIASA-N 444.532 2.284 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1708824995 GXNWYPAMORNRRS-LJQANCHMSA-N 440.548 2.385 30 10 IEEE COCCN(C)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1712422773 DXFAMJBSZAVJAN-OAHLLOKOSA-N 449.353 2.015 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1722331936 AYXHCCZSCYKFGT-VQIMIIECSA-N 449.552 2.361 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369694 DSOWFSJQLWLYDB-UXHICEINSA-N 445.589 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCCC1 1722385485 HEUKAWCIIVQBMF-UHFFFAOYSA-N 444.532 2.426 30 10 IEEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1722488422 GNIPQOWZQUBLGQ-RDTXWAMCSA-N 443.342 2.228 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722547220 CLYAWYCDMBXXER-SFHVURJKSA-N 449.939 2.446 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722623598 JKIBVWOLCHALPK-UHFFFAOYSA-N 437.566 2.299 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)CC1 1722624749 GCYSUYROUDRUOO-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C[C@@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCO1 1726469464 FNJSLNCBNWUZRH-MSOLQXFVSA-N 438.532 2.212 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)C[C@@H](C)O1 1727793982 OCCUQAGBAGDYRV-APWZRJJASA-N 446.577 2.150 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCSCCCO)CCN1C1CC1 1731187276 LMOUXKQXDLVIIY-GOSISDBHSA-N 432.619 2.223 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1740539351 OQSWUZAAEYJHGY-MRXNPFEDSA-N 443.573 2.065 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740616480 BPWZFNOTFKKTDM-VQTJNVASSA-N 447.580 2.470 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1740621939 QMQUCCJHTGPWEE-KRWDZBQOSA-N 435.619 2.300 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1CCO[C@@H](C)C1 1740684260 LVPLJRLLYYIOAQ-IRXDYDNUSA-N 429.521 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(CC)C(C)C)CC1 1740705800 MFGGJIPKCJOJGN-FQEVSTJZSA-N 430.597 2.216 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740715311 VYHJYGZXSLKWMU-UHFFFAOYSA-N 426.590 2.489 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740875505 DYPCDRLSSNHVJJ-OALUTQOASA-N 430.597 2.318 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740882574 QJBAJGSWSRHSDE-KRWDZBQOSA-N 441.532 2.366 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740890069 SCIRMWSOXDGGPG-MRXNPFEDSA-N 437.479 2.031 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740955951 JEXIMKHQSBWQGN-UHFFFAOYSA-N 447.543 2.368 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740965325 HJJQZNIHIGRNOQ-BRWVUGGUSA-N 448.568 2.171 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnn(CCOC)c1 1743677879 ISKSGAUDFSYQHE-HNNXBMFYSA-N 436.520 2.218 30 10 IEEE CO[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)(C)C 1748429603 AUGQIIHOUBGDOS-LJQANCHMSA-N 447.547 2.389 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1N1CCOCC1 1748638410 OWBNQAGXIHRMIH-GOSISDBHSA-N 445.527 2.268 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1 1748776734 ODZLXIMUTWFBFH-UHFFFAOYSA-N 444.605 2.141 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1748784655 DVXCQKZPJJJADP-QFIPXVFZSA-N 438.557 2.002 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1749033504 HHQNPBVYFDBATN-GOSISDBHSA-N 444.630 2.022 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 1749136854 SVHDNPTUZKBLBM-RXVVDRJESA-N 446.573 2.382 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749414494 FDFABFFJXVQZIE-OAHLLOKOSA-N 440.591 2.184 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC[C@H]21 1749656077 ZMVVAOHYIRSKGN-GDBMZVCRSA-N 427.505 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(OC)CC1 1749732180 RPOPZHZCJJEFLM-FXAWDEMLSA-N 426.583 2.168 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)CCCO1 1749965555 DOHTWCXNQYCYHX-QRQCRPRQSA-N 442.520 2.106 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1750745296 JWHHUASISLSYCC-QBEKEKFNSA-N 438.536 2.078 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760129516 PUXQZOXUAYNUCZ-UHFFFAOYSA-N 431.610 2.223 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760243254 DJZVEHMMCXBLGD-MOPGFXCFSA-N 431.581 2.441 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCC2)CC1 1760254690 GKBBQFYCAKCJAX-UHFFFAOYSA-N 430.503 2.398 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOCC 1760318080 LPIXHMHLZCRELY-QUCCMNQESA-N 438.536 2.375 30 10 IEEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1760364213 JNYPEAZYHYZOFT-UHFFFAOYSA-N 446.602 2.333 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1760400889 RRCQEAZXRYMMAD-QGZVFWFLSA-N 430.553 2.499 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1760482596 ZJLNOUYXUSIXAK-UHFFFAOYSA-N 429.488 2.295 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1760509780 HWGYHFRUTJOQSK-KRWDZBQOSA-N 427.484 2.345 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCC)CC1 1760518209 MHRJTCFRFFGQFG-UHFFFAOYSA-N 445.955 2.038 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@@]1(OCC)CCOC1 1760528408 BFGBVVJBFSDEJF-JOCHJYFZSA-N 447.486 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)CC)CC1 1760556132 VPWMUIZRHZCLOB-GOSISDBHSA-N 439.626 2.084 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761013287 URDXZMOTHHBTCQ-KHOFPDMRSA-N 442.564 2.256 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1765473574 UJHMBGUSVDDJBL-KRWDZBQOSA-N 449.559 2.180 30 10 IEEE CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1(C)C 1766144357 BRNXDWYVDXBPOM-MOPGFXCFSA-N 440.548 2.457 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)c1 1768388695 FNTMBGNJXMRGQD-FQEVSTJZSA-N 449.515 2.200 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CC1 1769224272 HXVFNHSTTIRZRZ-UHFFFAOYSA-N 447.547 2.174 30 10 IEEE COc1ccccc1Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)O 1770456622 GTZAZGLGWXQMGF-UHFFFAOYSA-N 447.543 2.242 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CC(Oc4cccnc4C#N)C3)n2)cc1 1849826724 OTXWABTVOAWOSP-HNNXBMFYSA-N 431.452 2.036 30 10 IEEE COc1cc(OC)c(-n2nnc(C(=O)NCCN3CCC(C#N)CC3)c2C)cc1Cl 1850670199 PGIIAQPUAPKEBS-UHFFFAOYSA-N 432.912 2.212 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1 1851946367 QYURJDIFRHRMMO-NRFANRHFSA-N 432.528 2.376 30 10 IEEE C#CC(CC)(CC)NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1852146355 WDXFTBLLNQNQES-UHFFFAOYSA-N 437.456 2.100 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cc(C)cc(C)c4)n3[nH]2)CC1=O 1852237213 KJBHPMBOEAHIKV-SJORKVTESA-N 434.500 2.276 30 10 IEEE COCCN1C[C@H](C(=O)Nc2c(-c3ccc(Cl)cc3)cnc3c(C#N)cnn23)CC1=O 1852585039 QXOGLRJDYLPNEO-CQSZACIVSA-N 438.875 2.355 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cc(C)nn2C)CC1 1855596452 KIWFFYMOYUKEIB-UHFFFAOYSA-N 428.514 2.189 30 10 IEEE C[C@@H]1CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCS1(=O)=O 1855852562 GUVRYJFDGFATTO-KDOFPFPSSA-N 437.949 2.046 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)Cc4cccnc4Cl)C(=O)C3)C2)s1 1856290975 HNTUNTVFKOYWGL-INIZCTEOSA-N 443.960 2.156 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856721070 HFNQTPGIZJNYPE-MOPGFXCFSA-N 428.920 2.256 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1cc(OC)c(O)c(OC)c1 1864961287 XGQWACDEBQEQHK-MRXNPFEDSA-N 428.489 2.185 30 10 IEEE N#C[C@@H]1CC12CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 1892070046 DBLUHTISRIFQQR-MAUKXSAKSA-N 432.502 2.290 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 1908272790 VPFPMBNKSJPACT-ZCNNSNEGSA-N 428.533 2.247 30 10 IEEE C#CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1ncnc(O)c1I 1992438297 XPYWWSNAESDHGU-JTQLQIEISA-N 433.246 2.472 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2010124459 UBPDGOUHFMBMET-OAGGEKHMSA-N 440.541 2.060 30 10 IEEE C#CC[C@@H]1CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCO1 2019034580 ZAUBSQHWOYTNNW-HYBUGGRVSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2067678970 NDFZJBDFOWEKKI-XLKGFZLASA-N 436.358 2.467 30 10 IEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141679061 TWZDSIOBDDKXPC-UHFFFAOYSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@@H](N)C#Cc2ccccc2Br)C1 2227493737 QWIMJVQDULDDOP-JKSUJKDBSA-N 443.363 2.162 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237393577 JWHXIILAUPOJKF-OXJNMPFZSA-N 437.334 2.482 30 10 IEEE C[C@@H](CCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243389844 MMCILOOYBYGMBB-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2247840716 RFCSRXAPOZDWJY-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247909606 CPJMPSXKOBZQPH-PMERELPUSA-N 442.343 2.342 30 10 IEEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255653493 JKECHSLDXJRVFT-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CN(CCOCCNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255712083 IKECYHRAPJSCFF-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N(Cc3ccccc3)C3CNC3)ccc2F)OC1(C)C 2255934251 ZWSLRWCJLDFYTD-UHFFFAOYSA-N 446.353 2.288 30 10 IEEE CO[C@@H]1C[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2258959353 QHGISQXIUBWSOP-DLBZAZTESA-N 436.358 2.400 30 10 IEEE Cc1c(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267137458 QMYSOADLWQRORS-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)cn1 2267290865 IULRZSXNHRGPEH-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503079 XOZFILQEVBJSNZ-MSOLQXFVSA-N 438.381 2.454 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267515350 MXMIRGMSPQVPJH-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2267518490 CEIQHRDMFHJEQR-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267520605 NMMCJZJECSVROQ-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1 2267600126 AYXZMXCNYZSRKD-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccn1C 2327827027 OMLRYQFYBHURIK-HNNXBMFYSA-N 445.593 2.232 30 10 IEEE CC(=NNc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C)c1ccc(O)cc1 2328608044 XDJAOBLQBBURIZ-UHFFFAOYSA-N 432.484 2.332 30 10 IEEE COc1cc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCC(N)=O)cc(OC)c1O 2329966416 IWPIUKSYCSPNDN-UHFFFAOYSA-N 441.513 2.360 30 10 IEEE CCN(CC)CCCNc1oc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C#N 36627707 MYKQQONVBVQGKI-UHFFFAOYSA-N 447.561 2.378 30 10 IEEE COC(=O)c1ccc(N2C(=O)C[C@H](SC(=N)N/N=C(\C)c3ccc(O)cc3)C2=O)cc1 59489286 SNZKQDRZFCNSKO-FZJZADEZSA-N 440.481 2.492 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 442207233 LAJKBYKYVPJVHH-QHSBEEBCSA-N 441.362 2.414 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 443478843 VJWBISDOGGTFLV-ZDUSSCGKSA-N 440.294 2.082 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)CCN1Cc1ccccc1 444100305 LEQALUGFWZELGJ-OAQYLSRUSA-N 433.491 2.385 30 10 IEEE CSC[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 464573906 ALXZIXNMOKLJEU-AZRUMMKTSA-N 435.549 2.227 30 10 IEEE COc1ccc(C[C@@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 472084384 IIKLVCKITKAOFS-OAHLLOKOSA-N 426.521 2.080 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCN(c2ccccc2)CC1 473293815 ROQAMEAYGAVOJA-QGZVFWFLSA-N 426.542 2.258 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)CC2)cc1 481099180 CBCIBBRXJHYNAG-FQEVSTJZSA-N 433.468 2.384 30 10 IEEE COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 488918378 UXCBDTUFJMXETC-INIZCTEOSA-N 438.502 2.084 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C#N)cc1 505332826 GZVTXOXFGWPWRF-OAHLLOKOSA-N 443.485 2.244 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 508889193 RCIGUCRBZOHPHG-GOSISDBHSA-N 431.924 2.097 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H]1c1ccc(Cl)cc1 544854047 JSZZHTWGWFVXRT-RXVVDRJESA-N 438.919 2.410 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 551733602 DLAHXIXDZYQEQB-UHFFFAOYSA-N 427.526 2.237 30 10 IEEE CCOC(=O)c1csc(C2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)n1 580671623 ATYHNKOOKOKISH-UHFFFAOYSA-N 434.543 2.240 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 611238446 JXCYBGRFNUZRJO-KMDXXIMOSA-N 443.551 2.242 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 611238448 JXCYBGRFNUZRJO-VXNXHJTFSA-N 443.551 2.242 30 10 IEEE C=C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CC1 731052341 LKBUDMIABKEJGP-UHFFFAOYSA-N 429.336 2.262 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1S(=O)(=O)NCC#N 731185520 DRLHONVHYXGONT-UHFFFAOYSA-N 440.525 2.244 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1[C@@H](C)c1ccccc1 735068972 NUGPRFVOVQVJCK-KRWDZBQOSA-N 449.580 2.155 30 10 IEEE CCCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CCN(c2cc(C)nc(C)n2)CC1 746261781 MJZFYWZRNZGEAO-GHVJWSGMSA-N 440.548 2.217 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 758700977 CWMXIOKMKQLNGA-VUAZUDAXSA-N 427.288 2.243 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 767752481 VQICFXQYNPYZLX-KBXCAEBGSA-N 439.534 2.126 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 767989464 KZUYWJGVULFQRF-UHFFFAOYSA-N 425.466 2.219 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CCN1C(=O)NC2(CCCC2)C1=O 769717144 JWHOXRDKZNFADU-UHFFFAOYSA-N 436.262 2.489 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nn(C(C)(C)C)cc2C#N)C1=O 771394426 FOVPJTDKPSAILA-JOCHJYFZSA-N 438.488 2.233 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccon3)c2=O)s1 772922799 VYYURZYKMUWFTH-UHFFFAOYSA-N 442.566 2.329 30 10 IEEE COC(=O)CC1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 792533492 AZELCJZCOUGQBQ-UHFFFAOYSA-N 435.546 2.278 30 10 IEEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1C 802358750 GUDUZSFBVNSZBL-IBGZPJMESA-N 434.500 2.295 30 10 IEEE CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802633689 KZQALYYUMRPYTO-IBGZPJMESA-N 425.493 2.456 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H]2CCCO2)CCN1C1CC1 802685122 WAAPCTSTSGMWRP-FGZHOGPDSA-N 444.543 2.486 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 804026108 XRQLPSQSAWVRPE-DOTOQJQBSA-N 444.532 2.335 30 10 IEEE CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 906373098 PNTCTOJGRFZLSL-UHFFFAOYSA-N 434.524 2.391 30 10 IEEE CCC(CC)C(=O)N1CCC(=NOCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CC1 920400139 AODFVPUFYJNKLZ-LJQANCHMSA-N 443.610 2.089 30 10 IEEE COC(=O)c1ccc(C=NNc2nc(SCCC(=O)NCc3ccco3)n[nH]2)cc1 1084140455 VMHNSYGKAQZLOF-UHFFFAOYSA-N 428.474 2.429 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc1 1084608267 XGTLSAVPBPCWFG-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE CNC(=O)[C@H](CNC(=O)CCc1c(C)nc(O)c(C#N)c1C)Cc1ccc(OC)c(F)c1 1130336283 NXFQPYIJLRUAAQ-INIZCTEOSA-N 442.491 2.077 30 10 IEEE COC[C@](C)(C#N)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1137349254 LYTFOFOGRKISDD-SJODRWRQSA-N 437.496 2.319 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)nn1 1160842312 XGTWWBAKFWXAEU-OALUTQOASA-N 440.504 2.072 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1253779653 QTAQDXAVZODYTM-GOSISDBHSA-N 427.505 2.001 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOCC1(C)C 1286364957 OQSODAYSPIIZJT-UHFFFAOYSA-N 443.548 2.151 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1286397060 RIGUBKKHSGXVAU-HOTGVXAUSA-N 430.521 2.267 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC[C@@H]1C 1286548955 VNCRPJNOSLDLCJ-TXTZMMAHSA-N 425.599 2.494 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286785890 SSVJIWPOSGGINO-UHFFFAOYSA-N 427.459 2.180 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286835504 XOGQZQGPNQHIOQ-QGZVFWFLSA-N 445.593 2.470 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1287759423 HGWNUZIOGCBMGE-LNVKXUELSA-N 449.559 2.250 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1288524282 BDKYXGIRMPXVDS-IFXJQAMLSA-N 433.472 2.071 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300272916 CJZJZBRHPXJCJM-KEYYUXOJSA-N 428.468 2.003 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1300380421 AWMDQRHNSASLEG-IEBWSBKVSA-N 431.562 2.350 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(c2ccc(Br)cc2)CC1 1300405084 OLWRKZBWNLIMDR-HNENSFHCSA-N 433.306 2.014 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300482174 DNDFUUYPEQFNEE-FUHWJXTLSA-N 433.578 2.204 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300484456 SLUVWZMTVYXCTG-ZSZQSSIHSA-N 430.530 2.170 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)C2CC2)CC1 1300718294 JDUGUMPWAJEZPQ-JOCHJYFZSA-N 442.951 2.120 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300754868 XEAFUGCRZMGGPB-OAHLLOKOSA-N 438.479 2.211 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1300762018 GDJDBNMKHJOXGL-OAQYLSRUSA-N 436.585 2.342 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1300972723 OUPXLONWLOLRPU-ROUUACIJSA-N 432.569 2.037 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@]2(CCOC2)C1 1300974672 KTNVDOHOVDYRAK-NRFANRHFSA-N 429.477 2.442 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1301051369 LWAZVOLPXIFOHI-UHFFFAOYSA-N 445.911 2.388 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301491141 FBBAUJGTNIRIMF-QGZVFWFLSA-N 435.532 2.058 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCn1cc(Br)cn1 1303361616 CJSDJMOGCRUVAM-UHFFFAOYSA-N 449.357 2.206 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c1C 1304028719 HQZNTDUCDDOTGT-HOTGVXAUSA-N 448.474 2.145 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)no1 1304225306 OVVCTABLSDKRTN-UHFFFAOYSA-N 437.504 2.424 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1314036576 HMYFMDBRZASTLU-KRWDZBQOSA-N 435.488 2.492 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1314646913 GPPMSLZXHLBFPC-PGRDOPGGSA-N 443.502 2.398 30 10 IEEE CN(C)CCCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)cc1 1314667747 ROJQDSTXNWMIFW-NRFANRHFSA-N 449.559 2.391 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C#N)o2)CCO1 1315948006 IPOKPOAFXIXGHH-SFHVURJKSA-N 439.472 2.230 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1358872096 OMTIYKNPRHPWJF-KBPBESRZSA-N 432.525 2.209 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCCC1 1358872294 SBLDLCDTHKNVMC-IRXDYDNUSA-N 425.599 2.333 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1358964943 KJZYLDLJWTZRRH-SFHVURJKSA-N 434.587 2.150 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccc(F)cc2)CC1 1359037836 YVKPXRORZDDKSJ-UHFFFAOYSA-N 447.562 2.290 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1359039249 ASJJQRVTUONZNA-OALUTQOASA-N 446.596 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@](C)(O)c2ccco2)CC1 1359044779 OLFIHLXOMNNOBG-QHCPKHFHSA-N 425.533 2.402 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1359063927 HHGNQIUWPRSBQF-YRISNDGFSA-N 431.562 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359296828 VURSPMYYUNPLLG-NVXWUHKLSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359299259 AEKTYJRJIPGLRM-WOJBJXKFSA-N 447.580 2.376 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)[C@H](C)C1 1359386915 RBNMKXWRFOUZNK-KDOFPFPSSA-N 430.459 2.298 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359461545 AKOCOFZERNMTPQ-RTWAWAEBSA-N 438.532 2.403 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1360466789 IJTYKZJKUPKNQK-JTQLQIEISA-N 444.284 2.166 30 10 IEEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N(C)Cc1ccccc1 1360529451 HGVMFQBBFSSWBW-JPYJTQIMSA-N 439.539 2.477 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1361255761 PFJDFJSKSOBJKL-BSBNDGSWSA-N 440.504 2.236 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 1434894734 MYWGIILNUAYSTQ-UHFFFAOYSA-N 425.416 2.150 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1438642838 MYRDLXALWUTXLK-RYGYDFEPSA-N 430.508 2.362 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1 1444812308 MKERXNJBXQTAAX-SYNHAJSKSA-N 441.484 2.010 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1451868509 LNZLIEYMTYWGIC-HKUYNNGSSA-N 444.509 2.215 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 1464109384 CUCRLYUMSAYNGY-CQSZACIVSA-N 434.459 2.491 30 10 IEEE C=CCN(CCc1ccco1)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1473317620 AFJWXMYCGVBBEA-UHFFFAOYSA-N 445.585 2.460 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1475637525 DVXXAMCZTWOPRU-IRXDYDNUSA-N 444.598 2.109 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CCO2)cc1 1478733386 HGJQYCUUGDMGCT-QGZVFWFLSA-N 431.290 2.266 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@@]2(CCOC2)O1 1494251875 DFBBIZPGULGTNL-UZUQRXQVSA-N 438.532 2.069 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C[C@H]1C 1502322764 DYXFYGAWBKRPOV-KNQAVFIVSA-N 437.592 2.194 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1503810202 DXMIBWWAWDVBDB-KRWDZBQOSA-N 437.529 2.296 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504520902 FSDVFOVWGSLBDE-OALUTQOASA-N 425.537 2.046 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1sc(C)nc1C 1504994162 JAIBPEMSOMFQNW-QAPCUYQASA-N 445.593 2.300 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1C 1507533093 PGYGVRBWJOWQLG-OAHLLOKOSA-N 428.541 2.027 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507553995 KFJMZRXCAUHIIM-AOMKIAJQSA-N 430.553 2.323 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCOCC2)CC1 1507739735 JTWILHVRFQUPNN-UHFFFAOYSA-N 442.589 2.026 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1507812171 JQZHPZRFAVNDAA-MRXNPFEDSA-N 433.578 2.468 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1507829516 ARWLKXQRWRICKH-GOSISDBHSA-N 429.569 2.406 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1507961750 FCQYARHUMCKZMK-DNVCBOLYSA-N 445.486 2.352 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1507979777 CIZIKNNAOVMSTB-QGZVFWFLSA-N 426.546 2.251 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1508087114 BDKFVSBAAXWKEP-UXHICEINSA-N 427.549 2.343 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@@H](C)C2)cc1 1508095960 AEHCOCMFWBGXPU-DLBZAZTESA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCOCC1 1508135731 OJLZZRQSLWEZJO-UHFFFAOYSA-N 442.545 2.163 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc(OC)cc2C1 1508141352 MWPWEOWSKMUNKX-GOSISDBHSA-N 446.573 2.344 30 10 IEEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512113200 RACYVJPDARBUQA-VQYLBFNNSA-N 436.520 2.276 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1515581761 ZMLZNJCFUMFSGC-DVECYGJZSA-N 435.576 2.463 30 10 IEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 1525212954 RYMWLUUHOGZGKY-HXUWFJFHSA-N 433.574 2.269 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(c3ccccn3)=NO2)c1 1527211462 LNVMFYQYVWECRX-VUSLFOADSA-N 427.486 2.026 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)cc2[N+](=O)[O-])CC1 1535785070 BTPCSQYIHUMNNK-HXUWFJFHSA-N 433.468 2.032 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(CCc4ccc(F)cc4)C3)C2=O)cc1 1538383028 AYFRCENPMKXOES-DENIHFKCSA-N 448.498 2.400 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](C(F)F)N1CCOCC1 1538994079 YPFQCLZPLJUDBA-NVXWUHKLSA-N 447.486 2.488 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1539037555 GPQMHADXBUUFBZ-ZSYWTGECSA-N 446.596 2.227 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539059900 UIWPSCREBUVESW-MRXNPFEDSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539194093 RNLRFCSRMFRIJA-NRFANRHFSA-N 447.543 2.375 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1539213100 VSGNLKJWCRMUPP-FQEVSTJZSA-N 439.541 2.036 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCC1 1539257366 IOFBYPHKWYJETQ-UHFFFAOYSA-N 440.573 2.128 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539375635 CQAGHRDHTJGSHM-INIZCTEOSA-N 442.511 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2cccc(F)c2)CC1 1539477655 UNNUVHYPNRUROP-UHFFFAOYSA-N 447.518 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539615739 LCHOXIZPMOUMQV-FPOVZHCZSA-N 432.613 2.373 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1539744842 YKBOCXHMXHEAIL-MJGOQNOKSA-N 446.596 2.199 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCO)CCOCC(F)(F)F 1540858498 ZIOPIHBDDCYTSI-INIZCTEOSA-N 428.411 2.354 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cscn1 1540867055 JCYAYFQSZOWHJE-UHFFFAOYSA-N 426.502 2.111 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)CCOC)C1 1540888190 LQZWVXCBVMCYRQ-VGOFRKELSA-N 430.505 2.243 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(CC(F)F)C2)c1 1541081162 VADGMLHMGWRLGR-OLIJMITPSA-N 428.505 2.415 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1541803375 HBFQQHQUYCWDMV-RKXCMPKHSA-N 442.593 2.102 30 10 IEEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1542665193 DPVKRYZNIAJTCM-QZTJIDSGSA-N 446.577 2.328 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1547486712 ZZHIZFZZJDBVPC-SLNYWTKHSA-N 441.580 2.240 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)CC1 1562406178 ZDZPLQDXJPXUJQ-UHFFFAOYSA-N 442.541 2.191 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1587673462 OIUMMPYPAQLRIQ-SJORKVTESA-N 445.951 2.463 30 10 IEEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C(=O)NC)C1 1587827163 GDLYPIMWWCQBEC-NRFANRHFSA-N 449.511 2.482 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN2CCCC2)cc1 1587898014 COVSGVOOPJOXLU-UHFFFAOYSA-N 436.560 2.106 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1 1588083363 FZGMWHIYZYIAPO-OALUTQOASA-N 425.508 2.351 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCOCC1 1588170702 MFEWYLXESCKDAK-WOJBJXKFSA-N 427.593 2.380 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 1588263415 UZHWGJAFHBGKFF-UHFFFAOYSA-N 438.454 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1588892066 WLDNSGGFNIMNFR-ZFMNYDKASA-N 443.592 2.404 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1589134106 FCWUMXRASWSSPC-ZJPYXAASSA-N 447.605 2.498 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1589427298 GTAMLELECRIXFZ-INIZCTEOSA-N 425.356 2.244 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589427299 GTAMLELECRIXFZ-MRXNPFEDSA-N 425.356 2.244 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCNC(=O)c2cccc(O)c2)CC1 1595800368 VYXWQMKALKRARX-UHFFFAOYSA-N 429.517 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595831607 UOEKJUCIKRIDQD-PXNSSMCTSA-N 426.583 2.156 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1597338294 VHNZUIQIONCKPT-CVEARBPZSA-N 444.502 2.249 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)C[C@H]1CS(=O)(=O)C2 1611680177 UWGVWXKOZSGASL-RMLUDKJBSA-N 448.682 2.021 30 10 IEEE CN(c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1617734491 WSWNGVWCOLFJTD-DPHDRGAJSA-N 442.907 2.350 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)CC2)o1 1618142234 UFHUYBOBEDVCFK-UHFFFAOYSA-N 435.525 2.071 30 10 IEEE Cn1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)cn1 1618409113 RKKWJQWSENEXRZ-KRWDZBQOSA-N 433.289 2.270 30 10 IEEE CO[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618943611 ICNRZNUJPNNHQU-HNNXBMFYSA-N 438.561 2.262 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](O)COc3ccc(F)cc3)C2)C1 1622497985 VSAOZQGRLZADRJ-GEXQTFPDSA-N 447.507 2.468 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1627264884 IWNQDOKNWKYLAH-FBMGVBCBSA-N 446.389 2.495 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)cc1 1632470887 BZISOXJBMAFHEV-UHFFFAOYSA-N 435.546 2.165 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1635421719 WJTRSALJLUXERV-KRWDZBQOSA-N 439.520 2.428 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1637698652 BOFZNBDTMJZMHK-UHFFFAOYSA-N 441.513 2.106 30 10 IEEE C#CCN(C(=O)CNC(=O)COc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327680 PGUXWRWIWULWKX-UHFFFAOYSA-N 429.517 2.043 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1639968986 QODKNQZEHABXON-UHFFFAOYSA-N 435.329 2.075 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC3(c4ncc(C)[nH]4)CCOCC3)ccc2c1=O 1647853051 AXHXQJRRUZLZDT-UHFFFAOYSA-N 425.514 2.338 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1654851211 VKNKYQUSFPVEIC-XOBRGWDASA-N 437.587 2.105 30 10 IEEE NC(=O)c1cc(CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)on1 1680876584 LCNSRYZYPZBNOV-BQBZGAKWSA-N 436.259 2.086 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1685441174 DHZLYSDIMUUTRF-UHFFFAOYSA-N 433.559 2.354 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1689940728 BOFJACPQQDHDAW-SJORKVTESA-N 430.553 2.430 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1690421054 WNIOUYUDMAYREJ-INIZCTEOSA-N 425.599 2.498 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1690597383 RYYKAYOUKDCXGX-MRXNPFEDSA-N 439.582 2.226 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690676421 ZISONWRENAMXKY-VQTJNVASSA-N 438.576 2.449 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)OC[C@]3(C)C2)cc1 1690681110 GRAVTZCFBUVANG-QFIPXVFZSA-N 427.505 2.459 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1690918920 XVDHMPZGAHJHFJ-PMACEKPBSA-N 438.532 2.260 30 10 IEEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1698492594 IFNADAIMRIYPMC-HNNXBMFYSA-N 430.450 2.324 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1705569443 CWFYYTOEMUUBHM-HUUCEWRRSA-N 433.603 2.097 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC=CO1 1705574387 CDOBFPOIWLMQHD-SFHVURJKSA-N 438.557 2.312 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1705638087 XLVNNJSRQOEZPZ-GOSISDBHSA-N 439.564 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705645215 OEAMLLKMQYEKEF-GOSISDBHSA-N 432.569 2.102 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1705716913 YPLSUCCBHUNAKX-LJQANCHMSA-N 433.578 2.370 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705822566 JLTRKPGUMJKGDD-KRWDZBQOSA-N 425.562 2.412 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705831451 SETZOTKQUFIGQZ-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1705860837 WZXSAVOHBDOHOR-RXVVDRJESA-N 449.559 2.014 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705896820 ZBYAPWPRIOXYSK-KXBFYZLASA-N 429.521 2.126 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCN(C)C2)C1 1705929477 RHDONHFUQMFPRQ-RDPSFJRHSA-N 441.576 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705932169 NTHYZQKZQURYTH-ZFWWWQNUSA-N 445.467 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1705936852 ZKMAEEIBOKWVTP-ZWKOTPCHSA-N 434.566 2.196 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C 1711220408 DQKCOXQRIZMRLE-OAQYLSRUSA-N 449.559 2.481 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCOc2ccc(F)cc2)CCO1 1712885963 DNXRTHGRUSWJRR-IBGZPJMESA-N 442.495 2.128 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722371434 JAVWPWQCYDVTHF-HXUWFJFHSA-N 434.606 2.454 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722496036 VHCVFMJEJTUWKU-FYYLOGMGSA-N 438.576 2.006 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722507482 FXFLQIMSOQRDLL-DENIHFKCSA-N 427.597 2.494 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722555231 YSYCIMHEPYGGSO-FUHWJXTLSA-N 449.987 2.260 30 10 IEEE CC(C)c1ncc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1723132945 HAPZIIHHCCHEAO-DYTRJAOYSA-N 436.520 2.232 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)N(C)c1ccccc1 1723854289 FBBINBIZVOUBOA-HTAPYJJXSA-N 425.512 2.367 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1729207831 AXPRTMISNITGOH-NRFANRHFSA-N 442.545 2.294 30 10 IEEE CNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1729674329 RDMVGRXMNZSFJU-UHFFFAOYSA-N 434.500 2.375 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCCOC[C@H]2CCOC2)cc1 1731180102 AJXBQVHHUSPAEV-HXUWFJFHSA-N 425.533 2.469 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)OC[C@H]2C1 1740597983 ZFNMWWLXNLHQPO-QGZVFWFLSA-N 425.489 2.310 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1740671758 NZHRNUHZLNHVAN-FOIQADDNSA-N 434.587 2.189 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2(C)CCOCC2)n1 1740689433 WMWBECIRSFVTMX-LJQANCHMSA-N 442.564 2.081 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740730155 TVDTUMHAIDPZRG-WJONJSRFSA-N 430.553 2.382 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1740774974 IRSBCKBGWLOZLP-HXUWFJFHSA-N 440.516 2.099 30 10 IEEE C=C(C)COCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1740799421 LSHZCBXRSLJBAO-HSZRJFAPSA-N 447.580 2.018 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740888666 REISHZKUGCTFLH-QHCPKHFHSA-N 425.533 2.475 30 10 IEEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1740902755 YEDHDURABCLZON-DQRAZIAOSA-N 431.500 2.499 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1740938008 VFGWLWQIUITYSO-ROUUACIJSA-N 447.561 2.025 30 10 IEEE CCN(C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1746009031 IPPYCJQFSUNNHA-UHFFFAOYSA-N 432.550 2.309 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1746565325 HXAXMHWSYZGDNT-IRXDYDNUSA-N 427.509 2.230 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1cccs1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748805906 YDINRNUKYSFRPQ-ZWKOTPCHSA-N 433.603 2.112 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748810197 SXWHHGOILSOJIY-VQTJNVASSA-N 437.525 2.136 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748812401 VCTPQRCASQRURY-SFHVURJKSA-N 439.516 2.463 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1748815084 NFSCNOLSCFEFLS-LBPRGKRZSA-N 437.310 2.160 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749037219 BSPKJNHTZXTPQS-IRXDYDNUSA-N 426.608 2.290 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@H]1CC 1749107111 PVSSPHSLNXRBSR-CYBMUJFWSA-N 425.356 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749129298 BZTVBSAREIKQKR-REWPJTCUSA-N 446.640 2.448 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SC)C1 1749213157 GFACSZWXPWHTCT-HOTGVXAUSA-N 431.628 2.203 30 10 IEEE C=CCCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1749407901 AKSDLMXEZWVRKL-MZKRTTBSSA-N 433.597 2.443 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C)C1CC1 1749519493 LVUPIZHOQVKMHK-QGZVFWFLSA-N 437.591 2.184 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1749529331 CHUKJICDLTYHEY-IBGZPJMESA-N 449.577 2.222 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@H](C)CC2 1749597162 AEKNMOBSCJRWSY-ZBFHGGJFSA-N 430.578 2.498 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1750079180 QJFCHILISAOPHA-APWZRJJASA-N 435.507 2.343 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1751261407 OQOCPHKDAAAPRY-ZWQIFLOQSA-N 447.923 2.340 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760181328 SIKRLABCSYOVBK-RDJZCZTQSA-N 434.587 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)c(F)c1 1760218119 XXXPPRFTOLGBTG-MRXNPFEDSA-N 431.418 2.481 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H](C)C1 1760226306 BBFZSONEYCXIGA-ROUUACIJSA-N 445.589 2.470 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1760480697 CFGVNRUHRBFRFT-WIYYLYMNSA-N 448.614 2.241 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760532672 BBMUOLQATFXYQU-GOSISDBHSA-N 438.576 2.243 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)C1 1760595513 MDNGMLTYHVCGLS-UZLBHIALSA-N 431.541 2.334 30 10 IEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1760710052 DRJKFIXSMODHPC-OAHLLOKOSA-N 434.504 2.379 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1769729931 BPTJNVMZSIEZNC-JOCHJYFZSA-N 436.520 2.403 30 10 IEEE COCCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)CC1 1771261196 SBQTZISFDZCAFI-UHFFFAOYSA-N 441.532 2.397 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1771276740 KKLDOXKWXLCQBG-UYAOXDASSA-N 440.548 2.065 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCc2ccco2)C1 1771530991 YSNNAVMCNHBARX-NRFANRHFSA-N 442.426 2.348 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1772566794 VKHIUJXATOBTOJ-MRXNPFEDSA-N 429.525 2.322 30 10 IEEE CN(C)S(=O)(=O)N(C(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1)C1CC1 1850447294 RENXYSVSNSGHOF-UHFFFAOYSA-N 427.530 2.120 30 10 IEEE Cc1cc(C)cc(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1851587688 VKDROAVHEBSIGK-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE CCOC(=O)C1CCN(CC(=O)Nc2c(-c3ccccc3)cnc3c(C#N)cnn23)CC1 1851801547 DUZMDIFAODFVQE-UHFFFAOYSA-N 432.484 2.482 30 10 IEEE O=C(c1c(Br)cnc2[nH]cnc12)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852763352 SSRUVVMTDDPUSQ-UHFFFAOYSA-N 440.201 2.205 30 10 IEEE C#CCS(=O)(=O)CCNC(=O)C[C@@H](c1ccccc1F)N1Cc2ccccc2C1=O 1853085680 WGGMFNBRWIGITP-FQEVSTJZSA-N 428.485 2.077 30 10 IEEE C=CCNC1CCN(C(=O)CN2N=C(c3nc(-c4ccc(C)cc4)no3)CCC2=O)CC1 1853500954 YIRCNRVMMYJFHY-UHFFFAOYSA-N 436.516 2.138 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3CCCC3)cc2)c1 1858998290 FKRTZDAJJUUYMA-UHFFFAOYSA-N 441.513 2.417 30 10 IEEE COc1ccccc1-n1nc(C(=O)N=C2NN=C(c3ccccc3)CS2)c(O)cc1=O 1859485680 WCFHTUXRZQTSPH-UHFFFAOYSA-N 435.465 2.184 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)cc1 1862747693 VDKUNAOABYQSAM-SFHVURJKSA-N 425.397 2.015 30 10 IEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)CCOc3ccccc3)cc2)CC1 1870160845 NGIMIVCKGRULFJ-UHFFFAOYSA-N 431.500 2.298 30 10 IEEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CSc2nnnn2C)cc1=O 1870245939 LEHRDNQRTJPLFT-SFHVURJKSA-N 442.545 2.237 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC2CCCCC2)cn1CCN(C)C 1870493790 DYNRIHHGYJUJPL-UHFFFAOYSA-N 430.593 2.412 30 10 IEEE C=CCN=c1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871608514 ZTXOWQVSGCAWIF-UHFFFAOYSA-N 436.564 2.294 30 10 IEEE O=C(NCC#CCN1CCCCCC1)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889031336 XVMXELBCCTZHAR-FCHUYYIVSA-N 426.586 2.225 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3cc(C)ccc3C)CC2)CC1 1890199540 GWZBUDVUXRXSKU-UHFFFAOYSA-N 427.589 2.331 30 10 IEEE C#CCOC1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 1891393330 QNOKBVWMICSRGF-QGZVFWFLSA-N 449.536 2.260 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OCC 2006228043 KIMDLJXPCJITBQ-OLZOCXBDSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)CC(O)C1 2073756839 MEUWWAGJAPPATQ-JLQALSLYSA-N 436.358 2.489 30 10 IEEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cc(Cl)cc(Cl)c3)s[nH]2)OC1(C)C 2166416150 BWEGMLJFMJYZHD-UHFFFAOYSA-N 436.151 2.367 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@]2(C#N)N(CCO)C(=O)OC(C)(C)C 2244188931 WEXKWADVUZGGAK-QUUZMZQQSA-N 425.526 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247817931 RICYCJBSRVNMTH-ZIAGYGMSSA-N 438.355 2.069 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]1NC(=O)OC(C)(C)C 2247920472 YZQCEWDZABLXBT-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248445388 LIBVARMLJIWJLN-DGCLKSJQSA-N 443.350 2.310 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256670659 HMIUKWLSBRBVAC-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2266061720 JJBZYPOJGOOACE-CVEARBPZSA-N 447.341 2.328 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267002663 CYUIOHCZWZRTML-GDBMZVCRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267107585 ARVYKLSPMGFWGA-HZPDHXFCSA-N 446.353 2.086 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2267232318 PPBOIWUNBVSQGU-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267281030 RVCSYXAVPTYHMI-LJQANCHMSA-N 439.365 2.125 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267519515 HREGMGSTOJNJMM-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 2267524382 PCEJFSRJZUWWHR-HNNXBMFYSA-N 446.357 2.108 30 10 IEEE Cn1nc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2267549577 NJTUBBLZMGBDAS-QFIPXVFZSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 2268630566 MEVWMSDNPLATNR-UHFFFAOYSA-N 447.341 2.393 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268638443 JABFULQCAUMQQW-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE C[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282504132 KESHYLXZDZVGKJ-CQSZACIVSA-N 445.412 2.256 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2283067037 ANZASDJCBJNHCW-WOJBJXKFSA-N 448.376 2.370 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3C[C@@H]4[C@H](C3)[C@@H]4B3OC(C)(C)C(C)(C)O3)(C1)C2 2312782834 MWTFDRDYTYKCHG-YCYLBZANSA-N 434.342 2.363 30 10 IEEE CCSc1nnc(CNC(C)=O)n1N=Cc1cc(Br)cc(OC)c1O 2330747812 NTRMXVICBFIKFY-UHFFFAOYSA-N 428.312 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2337061967 HBGJWOGHKYOHAA-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 32305547 KSXGRIZOFNECMU-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)n1 440786913 ORXOXNLMUDCMBB-UHFFFAOYSA-N 437.474 2.403 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)COC)c1 448272604 OHOWAPZLRMBPRH-SFHVURJKSA-N 438.933 2.458 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 472831891 QMIQXPKGGBPWKO-UHFFFAOYSA-N 446.555 2.266 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 473879285 VMAQISQYUJQDJG-MRXNPFEDSA-N 440.375 2.202 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H](CO)CC(C)C)nnc12 476825479 JBIBYJDHCPCTIY-HNNXBMFYSA-N 429.546 2.188 30 10 IEEE CCc1ccc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 482100348 GFMYEILTHKDUIG-MRXNPFEDSA-N 446.598 2.193 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482554931 IFFNJLZCRYFCNH-ZIAGYGMSSA-N 427.551 2.140 30 10 IEEE COc1ccc(C(=O)CCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC 485996812 BCESLYJNEUVZTN-IBGZPJMESA-N 435.480 2.456 30 10 IEEE COc1cccc(CC(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 503034718 SRDWXWALUSITPY-QHCPKHFHSA-N 429.517 2.170 30 10 IEEE CC(C)N1C(=O)C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 503625072 DXOHZUPIKVLOOQ-YWZLYKJASA-N 434.899 2.362 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 504636931 QDLQKNWMGMZOLB-WFASDCNBSA-N 436.925 2.237 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 508915807 ZCRDDSUVNCKGPM-MRXNPFEDSA-N 425.942 2.087 30 10 IEEE N#Cc1ccccc1N1CCCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 532962973 LSJWWCZSRGCWGT-UHFFFAOYSA-N 437.569 2.116 30 10 IEEE Cc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1S(=O)(=O)N1CCOCC1 538273702 GLTRHKAYBGSYAE-UHFFFAOYSA-N 440.525 2.414 30 10 IEEE CN(C)S(=O)(=O)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 544325146 GGFWZGJULUCJDA-UHFFFAOYSA-N 432.449 2.454 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(N4CCCNC4=O)CC3)n2C[C@@H]2CCCO2)c1 549890828 VKSOHTLOJNWSFY-FQEVSTJZSA-N 435.532 2.380 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)CC1 554814266 UCLUFZNCGHQIAK-UHFFFAOYSA-N 445.570 2.093 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 564381266 TZYCXARZFYUKQV-QRQLOZEOSA-N 431.562 2.179 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](C#N)c1ccc(F)cc1)n2C 589222706 SKWSOYGNRRPHER-SFHVURJKSA-N 443.504 2.276 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 603798357 BDGYUIBUPBTINZ-MRXNPFEDSA-N 441.509 2.115 30 10 IEEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 608957764 MWCRZRQSNFVUCA-OAQYLSRUSA-N 445.527 2.225 30 10 IEEE CS(=O)(=O)Nc1cccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 609307065 NJZFCRKKFLLKQL-SFHVURJKSA-N 444.538 2.012 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 619853438 VSFKDMPTHAQNCU-MRXNPFEDSA-N 434.474 2.205 30 10 IEEE C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N(C)CCC#N 729310207 UNWHLYBMSAGKHB-AWEZNQCLSA-N 441.937 2.044 30 10 IEEE C#CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 731213738 QHEXYODNJOUXHP-GCJKJVERSA-N 428.579 2.345 30 10 IEEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)CN3CC(=O)NC3=O)c2C#N)C1 732355054 BAXKXWLYZSXZHC-LBPRGKRZSA-N 446.529 2.194 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 750709477 XFBNVIVYEUIFIV-LJQANCHMSA-N 442.472 2.039 30 10 IEEE C[C@H](OC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N 756744037 AMXOKDLZSUISHX-STQMWFEESA-N 445.335 2.163 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cc2C)c1=O 758076344 SOOXNMGSKNGVHZ-UHFFFAOYSA-N 441.350 2.486 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 771291779 MFGBWJOEFBOZBL-QYODFIHFSA-N 437.566 2.316 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2COC3(CCCC3)O2)C1=O 773178010 PTXCGMFZXIMGBT-WBVHZDCISA-N 428.514 2.312 30 10 IEEE C#CCN(C(=O)NC1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 774195837 UAYQKMHZGXICCN-INIZCTEOSA-N 432.571 2.097 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 794028271 GJMCWQNUEXEMHF-UAFUQJIBSA-N 446.548 2.399 30 10 IEEE CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)OC(C)(C)C 804158426 VCMBEWROOFSUKL-QAPCUYQASA-N 432.496 2.465 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C\c3ccc(Br)o3)CC2)o1 914683856 LBKIVIXEXDSBLU-HYXAFXHYSA-N 449.261 2.115 30 10 IEEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 920394803 FUIBDHAMRMWJPW-UHFFFAOYSA-N 426.538 2.073 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1 1136415394 CFSOWBXMALFBJI-LJQANCHMSA-N 429.473 2.216 30 10 IEEE N#Cc1cn(CC(=O)NCCc2cccc(OCCCc3ccccc3)c2)c(=O)nc1O 1136738541 PIJNOUOGRFBHKM-UHFFFAOYSA-N 432.480 2.191 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CO)Cc1cc(OC)cc(OC)c1 1137499246 WCLNMJOFXACDLJ-YLJYHZDGSA-N 434.533 2.278 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2cc(C)c(Br)cc2C1)c1cc[nH]n1 1156740248 GDZORTKBWPZAOM-UHFFFAOYSA-N 449.305 2.349 30 10 IEEE C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)C(=O)OC 1161365762 XOKMEERFARSEFS-XJKSGUPXSA-N 439.281 2.122 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 1228754385 NTOFWWVRZHQCMQ-GHTZIAJQSA-N 446.617 2.012 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286325650 XUNNLMRGZHPKKV-PMACEKPBSA-N 428.581 2.066 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286360403 GJDDVXHTKQZHBF-RLBWVDARSA-N 438.463 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCN(CC(F)(F)F)C1 1286398818 QGJDOCVFECKNAR-INIZCTEOSA-N 438.498 2.154 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)Nc1c(C)cccc1C 1286415046 ITJQQSRBLIGRNF-UGKGYDQZSA-N 435.528 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N1CCOCC1 1286463331 MMJMSZGGWWITIP-QGZVFWFLSA-N 447.967 2.414 30 10 IEEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1286500218 SUASMDXZKBFYLQ-UHFFFAOYSA-N 443.573 2.387 30 10 IEEE C=C(Cl)Cn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1286636621 YXKIISWXLYZGEQ-QAPCUYQASA-N 434.990 2.331 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCCOC)CC1 1286652737 JWUMYXDXRGOOPC-UHFFFAOYSA-N 428.537 2.287 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1286700756 QLFAYPZMKMNWBC-IAGOWNOFSA-N 443.639 2.299 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1286706129 KGSCWQJZEPCUNB-JOCHJYFZSA-N 431.512 2.246 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 1286751040 LJAMKIXJOQQMQJ-VXKWHMMOSA-N 443.640 2.028 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 1286891167 FEFGAMVOLSNCAF-RTBURBONSA-N 435.576 2.463 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1300305126 XBNJIBHVLOYRSB-TVJQWHPQSA-N 431.581 2.248 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1300483718 MZVAQPDOAOOAKP-SFHVURJKSA-N 442.545 2.138 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300520399 FPSBYSGKPZAASM-UHFFFAOYSA-N 442.523 2.268 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1300631153 MFCXXTZNKHORAQ-SFHVURJKSA-N 432.546 2.463 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1300710246 YBXJEMHRYDKZAY-LJQANCHMSA-N 446.596 2.217 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300770771 YMJLHMZFLDDXOH-JOCHJYFZSA-N 425.558 2.248 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300980574 QYXXWYVUVXGLDP-LJQANCHMSA-N 442.564 2.182 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)C[C@@H](C)O1 1300984606 FYGFHVQPAIPJJO-HLIPFELVSA-N 429.521 2.251 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1301175136 ZLKXDOIRHKDNMH-CYBMUJFWSA-N 439.504 2.138 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301209488 WGIMXAMVCKDUHE-AWEZNQCLSA-N 449.342 2.365 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2)C1CC1 1301314211 PPTJKLGCCOBISG-HNNXBMFYSA-N 431.562 2.416 30 10 IEEE COCCCOc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1301674509 NBTSBLKJMWYAOX-JOCHJYFZSA-N 448.527 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304273530 YAWHEWPTGMEDMV-XGHQBKJUSA-N 439.578 2.247 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)N2CCCC[C@H]2CS1(=O)=O 1307386187 FRUPCGWRXDIZEX-CABCVRRESA-N 436.559 2.497 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1cccn(CC)c1=O 1314405923 FPOAYBDOBFINBO-OAQYLSRUSA-N 448.527 2.494 30 10 IEEE COCCN(C)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1316066965 CPWQLYFIDYHIOE-JOCHJYFZSA-N 449.559 2.311 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 1355920242 YZHIXADGEJMTIP-UHFFFAOYSA-N 429.274 2.274 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1359004653 DSECKJKSSFUCKX-UHFFFAOYSA-N 441.532 2.094 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOCC(=C)C)CC1 1359033328 YELSXUOSGCMBHA-UHFFFAOYSA-N 425.533 2.310 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCOC)cc2)CC1 1359159109 NLPSKSXIKFANHE-KRWDZBQOSA-N 449.577 2.118 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(C)(C)O)cc1 1359278577 ZFLFXJDBYPBLOA-UHFFFAOYSA-N 427.549 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1359298761 KYKREZVNBCFSFQ-IYBDPMFKSA-N 435.532 2.069 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359326920 MZBWUTOYXWIPMS-INIZCTEOSA-N 441.598 2.450 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359344514 AMGLKKGGYRVMOQ-FQEVSTJZSA-N 428.606 2.342 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](CO)Cc3cccnc3)C2)C1 1449037853 ARWXTUDKXOZXNG-SUYXUUSGSA-N 428.533 2.136 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 1455208756 BQFVFXRAOXJBPI-MSOLQXFVSA-N 442.459 2.415 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1Cl 1463616883 DBEIBADTNAQCSU-HNNXBMFYSA-N 426.860 2.142 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC 1464514952 FQZOLBCRYOASOR-ZWKOTPCHSA-N 442.578 2.383 30 10 IEEE CS(=O)(=O)N1CC[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 1465278998 DVOCSDUPDRPOGK-IBGZPJMESA-N 428.514 2.487 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CF)CCOCC1 1468147496 LNVGQXSITXGBCD-INIZCTEOSA-N 425.526 2.022 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1474349838 AGHMTMCVIBXFPB-AVRDEDQJSA-N 446.573 2.122 30 10 IEEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cn1 1502227851 QNTVRROMUGAFQF-INIZCTEOSA-N 434.504 2.358 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1503843890 DNCRSWRXQXUSFU-BJLXPSRBSA-N 427.530 2.117 30 10 IEEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(C)(C)O)c1 1504341930 BKIVCJPUGKYVPA-INIZCTEOSA-N 448.531 2.101 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cnc2c(Cl)cnn2c1 1507546774 IEWSAXYRNBYTBZ-HFTRVMKXSA-N 443.939 2.399 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507564942 ZOPRHPZGILBSIG-ROUUACIJSA-N 449.621 2.115 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1507573828 JNBULLQSAKMJAM-QHCPKHFHSA-N 446.596 2.318 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1507741338 PZZNZGRYMYYEND-UHFFFAOYSA-N 442.564 2.346 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1508086152 LXVISZSGXRAANZ-GOSISDBHSA-N 444.511 2.025 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](COC)C1 1508140961 KPBORLKWLPPDKX-ROUUACIJSA-N 426.583 2.026 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1508151347 BRSRACVIYPXREU-MRXNPFEDSA-N 443.639 2.347 30 10 IEEE CC[C@@H](C)c1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1512839999 JILBCZVSEUIBSF-RLBWVDARSA-N 438.536 2.221 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1ccc(C#N)o1 1513358337 RVRFKYQCSDVGGA-UHFFFAOYSA-N 441.536 2.157 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1517273320 TZUMYQNCKJVNEZ-NRFANRHFSA-N 433.516 2.481 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C#N)o2)CC1 1518650666 HMDAOUQINSUCDJ-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1526903056 AHKAFXQHYBOFTR-FQEVSTJZSA-N 442.560 2.029 30 10 IEEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1533174201 IPPFAGRVFWECEH-WNSKOXEYSA-N 449.515 2.273 30 10 IEEE CN(CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1ccc(Cl)cc1 1538861962 NKWXVXGICQXZHS-LJQANCHMSA-N 433.917 2.432 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1539003143 MEGZHKCCFDZDNU-IAGOWNOFSA-N 438.532 2.355 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCCN1CCC(O)CC1 1539032129 TUXIYONWSKVQKA-SFHVURJKSA-N 427.549 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1539612520 MVYQQUQFSXHKMJ-AEFFLSMTSA-N 426.521 2.061 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](COC)C1 1540864979 QQQSHPOOHPTPNP-QGZVFWFLSA-N 445.589 2.429 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540905431 WCUMNBKUQIMHIS-SJORKVTESA-N 437.635 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1540907059 KPMMYJUIVULMPT-HUUCEWRRSA-N 449.602 2.105 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1541806134 FMSJTWJNQPZBKJ-LJQANCHMSA-N 425.581 2.152 30 10 IEEE Cc1nnc(N(C)Cc2ccccc2N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543148521 IUKZAMQSTYJBQS-DQRAZIAOSA-N 435.532 2.350 30 10 IEEE C#CCN(CC(=O)NC[C@@H](O)COc1ccccc1Br)C(=O)OC(C)(C)C 1545419881 XHCQIWCZWQCGMA-CQSZACIVSA-N 441.322 2.175 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOC 1555557733 BQKRZRBMXYALRH-KRWDZBQOSA-N 436.557 2.405 30 10 IEEE C=CCOC[C@@H](NC(=O)CCC(=O)c1ccc(I)cc1)C(=O)OC 1556375504 LDNKNURTSSYEGT-CQSZACIVSA-N 445.253 2.115 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457832 QUCFQJLGMXBLNC-RTBURBONSA-N 439.516 2.363 30 10 IEEE Cn1ccnc1[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(C)(C)CO 1557221210 OEIBNXANIKSIJY-KRWDZBQOSA-N 446.349 2.366 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1558606515 YEZWSRLSZKQRBN-ZDUSSCGKSA-N 446.447 2.237 30 10 IEEE COc1cc(/C=C\C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(Br)c1O 1566443745 XGRPSZWFHSPKOS-WAYWQWQTSA-N 434.294 2.445 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1567194225 OQXJIRSBDOVTAO-UHFFFAOYSA-N 439.512 2.392 30 10 IEEE C=CCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OCC 1569184053 IMJCGWKHXZWLNC-OAHLLOKOSA-N 426.535 2.400 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1583811745 KBZLCGOEQSZKCB-RTWAWAEBSA-N 427.526 2.293 30 10 IEEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c(C)c1 1583812444 XFMVSRDRBQUMLQ-HXUWFJFHSA-N 429.542 2.344 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1585925309 RGPYYQIXSZIAPH-OPAMFIHVSA-N 426.473 2.299 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)cc1 1587057576 NMZBVHICNCBQRO-GFCCVEGCSA-N 430.848 2.167 30 10 IEEE C[C@H](CC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)NS(=O)(=O)c1cccnc1Cl 1587187447 WDEFJUKXNNXKPR-QRWLVFNGSA-N 447.948 2.271 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCOCC1 1587603837 PHPXILGNVJEQDP-ZWKOTPCHSA-N 425.533 2.143 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(CC)CC 1587620323 CGHBUQLKNDWHET-QGZVFWFLSA-N 449.559 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1587638692 GXORDIHDUUPGDM-RDJZCZTQSA-N 429.525 2.010 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1587662156 LPBLRMPWWMXWNC-NHCUHLMSSA-N 449.603 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)OC(C)(C)C 1587668211 VGCRYIINADGIFU-AWEZNQCLSA-N 432.550 2.252 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1587754608 HYYFPSVPZSGKAA-KRWDZBQOSA-N 447.543 2.053 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1587766126 OYWVWRNEFOKCAH-VQIMIIECSA-N 430.530 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1588954645 KEVORJYLUWAQNW-HXUWFJFHSA-N 426.609 2.317 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1589208206 XLWQZGXZZYIBKV-YOSAUDMPSA-N 442.608 2.358 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1593845705 QUBWUODRQFULFS-UHFFFAOYSA-N 429.916 2.024 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1594498888 YOKJRMHGVHTRES-MSOLQXFVSA-N 437.610 2.450 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1594733176 OLEMOMYXFOLRGB-HNNXBMFYSA-N 449.537 2.093 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1594962593 MIQYYTXUCYDXLK-LJQANCHMSA-N 431.562 2.119 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595507055 VHLFPFLESYRJQG-QGZVFWFLSA-N 437.504 2.331 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1595562327 VCSNUHCPQNTEAV-QGZVFWFLSA-N 432.569 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595745863 XXLAIDMKSDREAU-PMACEKPBSA-N 430.574 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CCc1nccs1 1595798173 MXBJUICLQLVUJE-OAHLLOKOSA-N 425.580 2.256 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](Cn4ccnn4)C3)C2)C1 1596982441 JZYOGFCLTQHXPF-SFUYWUKASA-N 428.537 2.304 30 10 IEEE Cn1ccnc1[C@@](O)(CCNC(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F 1597122638 QRVOBKODZITHKD-NSHDSACASA-N 427.292 2.281 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)C3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)cc2C1=O 1607743188 ROSPYAVGZHPJGN-IAGOWNOFSA-N 425.485 2.406 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc43)ccc2c1=O 1611369492 UPAXHMPMUBIMOU-CQSZACIVSA-N 441.534 2.172 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCC(F)(F)F)cs1 1612401437 KHFCTUWYSXIEQL-UHFFFAOYSA-N 441.483 2.442 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1612978227 NWBLQFNULKASBW-IAGOWNOFSA-N 426.521 2.115 30 10 IEEE COCC[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619800816 GZSMIUNOWIYSDQ-MBOBHEEDSA-N 436.516 2.334 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(Br)cc2)CCO1 1620354856 DGXONAMCUQZSKZ-MRXNPFEDSA-N 440.305 2.469 30 10 IEEE COC[C@@]1(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCCCN1C(=O)OC(C)(C)C 1623197456 POWBJQKHUDOSCE-OAQYLSRUSA-N 434.541 2.061 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C#N)CO)CCC(=O)N2c2ccc(C)cc2)cc1OC 1627544485 XYVJBIJBPHOQQX-WCAVRKLYSA-N 437.496 2.497 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)CC2 1632269627 HXNCNXBODSBLAV-UHFFFAOYSA-N 431.539 2.216 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 1634324170 LDFOBXKWDDGWNA-YKSBVNFPSA-N 429.561 2.389 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3CN3CCCC3=O)ccc2c1=O 1635585686 DXTOWDWSSDXEOU-MRXNPFEDSA-N 426.542 2.488 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1F 1642607988 SKMFUCTYKRHPMG-NRFANRHFSA-N 429.473 2.281 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1Cc2cccnc2NC1=O 1643857142 NCSWPDDTTXTSQM-MOPGFXCFSA-N 447.495 2.467 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](c4c(F)cccc4Cl)C3)CC2)o1 1647039754 GEDABNXOGNWQKE-GOSISDBHSA-N 447.898 2.369 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCC(C(=O)OCC)CC1 1652545220 LBRUGMOYTXEOEK-UHFFFAOYSA-N 449.621 2.386 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](C2CCOCC2)C2(CO)CCC2)CC1 1654811201 FMCYDJNXDWQIGZ-UGKGYDQZSA-N 446.617 2.004 30 10 IEEE C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1664407833 ZMWCNIOSYALZLD-KRWDZBQOSA-N 430.592 2.381 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([C@@H](C)CC)cc2)CC1)[C@H]1CCCO1 1671890180 YKMNRRVRPAUGAY-DZFGPLHGSA-N 433.574 2.397 30 10 IEEE COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1672352194 DUAGHCVTOMXOLV-NRFANRHFSA-N 432.480 2.214 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)CC1 1678373893 GJLXWCHMBOISCO-UHFFFAOYSA-N 428.581 2.243 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)C1CCOCC1 1687125938 CIADZEGCLDFNDT-YJBOKZPZSA-N 439.350 2.336 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1689848337 STOWFGVVEKCREQ-QGZVFWFLSA-N 449.559 2.438 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689864773 HZRIZDYLIBOZOP-ZWKOTPCHSA-N 445.589 2.159 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCn2ccnc2C)c1 1689871832 GOUMUMGJUWLKCA-IBGZPJMESA-N 433.516 2.043 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)cs2)CC1 1690124670 QVKPGIJPLCMNFU-CQSZACIVSA-N 436.379 2.410 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1690509228 ZZIBTEKEXMSEEQ-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC(C)C 1690559575 HEUAPMNWSBOSSX-LJQANCHMSA-N 435.532 2.208 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690673144 PIAUUVDZVCKXIE-NRFANRHFSA-N 443.511 2.016 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)C1 1690700059 NCMBSSQTZQUCCM-PWRODBHTSA-N 432.613 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc32)nnc1[C@@]1(OCC)CCOC1 1690731369 JKIKYJIWLILAHQ-OAQYLSRUSA-N 432.546 2.225 30 10 IEEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1694180339 DBBAMYMCWMQLFM-KKSFZXQISA-N 431.562 2.239 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)C(F)(F)F 1697131010 BFBCGFZMKLQBLT-OAHLLOKOSA-N 427.452 2.353 30 10 IEEE CO[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1697148498 LJCABDBGFNZFSV-GOEBONIOSA-N 435.326 2.200 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C3CC3)C2=O)cc1 1697480549 YPCCFBCROBCULW-MWTRTKDXSA-N 438.532 2.472 30 10 IEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705519942 BZLDAKHRILEQMH-UHFFFAOYSA-N 432.528 2.360 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705543859 VLCPCGFDACGWCZ-QFIPXVFZSA-N 439.541 2.157 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCOc1cccc(C(F)(F)F)n1 1705616938 JSWHTZQZETUMFI-UHFFFAOYSA-N 436.438 2.353 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1705617268 PFPGHPZWQIESFW-QHCPKHFHSA-N 447.587 2.214 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(COCCOC)cc2)CC1 1705643771 RWZHYNOFAQUVAK-JOCHJYFZSA-N 439.560 2.096 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1705664743 ZQYVXKQYONUIRV-UHFFFAOYSA-N 438.557 2.200 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 1705709447 PNDBQCOQUZBCHR-LAUBAEHRSA-N 446.573 2.416 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)F)CC1 1705778840 LNNVZSCKUVHKTP-UHFFFAOYSA-N 433.459 2.500 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1705827168 WWCHIIYOTZLEQK-HXUWFJFHSA-N 433.509 2.383 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1705909261 RONUXPXILJKCGO-YLJYHZDGSA-N 440.548 2.156 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNC(=O)C(C)C)CCOC1 1706668401 AIXJQFVTORVQRX-QFIPXVFZSA-N 432.569 2.221 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCC[C@H](C)C2)cs1 1707761186 JJYKVCBPJJLXQJ-TXPKVOOTSA-N 429.594 2.483 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@H](C(F)(F)F)O1 1708183083 WMUBBQAEEITBML-CZUORRHYSA-N 447.425 2.050 30 10 IEEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1712718034 GBFDXGXWVJRWMD-UHFFFAOYSA-N 448.618 2.476 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1722333121 SDFPHGLKRJQCHS-HBMCJLEFSA-N 442.608 2.012 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1722343979 LHBZBNCDKHQGKZ-QHCPKHFHSA-N 443.523 2.266 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1722347833 QPLPEEFGTKMIEW-UHFFFAOYSA-N 430.472 2.056 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1722350477 BALOYDPHFOEQNI-LMMKCTJWSA-N 447.630 2.394 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1722353661 RXTWXJPELFAVMA-HXUWFJFHSA-N 433.560 2.475 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNS(C)(=O)=O 1722406001 UAYWBZWNEMQYBY-UHFFFAOYSA-N 440.573 2.361 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1722410005 NCKDOHLKRCDKGM-GOSISDBHSA-N 429.594 2.038 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCNS(=O)(=O)CC 1722471137 SYFMPYSAGAZPBG-OAQYLSRUSA-N 431.562 2.275 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722525664 GMSYGIDTAFNIAL-BRWVUGGUSA-N 442.568 2.305 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722555224 YPBZNBMYSUUOIS-FQEVSTJZSA-N 447.948 2.496 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnnn1C 1722659132 OXBBPRPTQWDVSO-JOCHJYFZSA-N 441.511 2.439 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722813976 IDOYISZTBFOIAZ-IFMALSPDSA-N 449.559 2.180 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(OCCOC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1728798500 PXMJYGRDOMYONR-JOCHJYFZSA-N 445.520 2.075 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCc2c[nH]nc2C)cc1 1730200851 GEWMCFPXFRWFPK-HXUWFJFHSA-N 437.504 2.259 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1740540344 IVTCNOHORPCBDV-WZONZLPQSA-N 436.585 2.483 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2Cc2ncn(C)n2)c1 1740563094 UCVPQWDCNPFHJJ-UHFFFAOYSA-N 430.472 2.080 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1740590566 IDDSIOPULOPXLS-MSOLQXFVSA-N 435.594 2.183 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740595437 DGAIQFPUUQAANT-OAQYLSRUSA-N 432.521 2.425 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1740609095 KQPLWAKPISSJNU-UHFFFAOYSA-N 447.543 2.193 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCCN2CCOCC2)CC1 1740694023 VQJAJZBVNNAUDL-UHFFFAOYSA-N 442.995 2.466 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1 1740969447 OZDCIWJFAYHPIF-HXUWFJFHSA-N 425.533 2.454 30 10 IEEE Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)on1 1742898161 RYWKFAHHJCUURB-AWEZNQCLSA-N 432.282 2.120 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1746467186 BASICYJFHSNQRM-KNQAVFIVSA-N 437.592 2.051 30 10 IEEE CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1747410939 GXPRBWYLFGHHPA-QZTJIDSGSA-N 447.561 2.198 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1748729997 BDTLDBDFLMAXFB-IBGZPJMESA-N 427.471 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCCO1 1748887535 CGINZDSVZGDQSS-GOSISDBHSA-N 439.516 2.054 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2cccc(OC)c2)CC1 1748971668 YLYRETFMFGGIGF-UHFFFAOYSA-N 438.576 2.158 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)C)CC1 1749210613 KCIRRUPUHPXDEF-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1749458028 VJGWNLGRLFMYIL-OAQYLSRUSA-N 441.532 2.442 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CN(CC(C)C)CCO1 1749471398 MLFLXEVGKHOXHW-LJQANCHMSA-N 447.605 2.328 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(N)=O)c1 1749496815 WHBRLOFAQVDAAB-UHFFFAOYSA-N 431.500 2.051 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1749574745 DIZGTWWMBBETLH-QGZVFWFLSA-N 437.591 2.208 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1749777235 FCWSMLUROZMSBZ-NRFANRHFSA-N 438.532 2.069 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC[C@@H]1OC 1749830280 ILWVYESBWCDBAJ-WBVHZDCISA-N 430.509 2.187 30 10 IEEE CC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750041827 NAEVDSTWKXCEIY-FQEVSTJZSA-N 441.967 2.225 30 10 IEEE N#CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCO)CC1 1750385705 XYXVQOCGXAXACG-UHFFFAOYSA-N 431.566 2.141 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1751165649 BHSSIBJNLBKCJX-KRWDZBQOSA-N 436.520 2.174 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)C1 1751271870 GFIGAJXQOUINEQ-HSZRJFAPSA-N 441.580 2.483 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCN2CCOC(C)(C)C2)cs1 1751773823 UZHRNTUITUAZGB-UHFFFAOYSA-N 429.594 2.485 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760160035 WRQXTENNLHCBNV-WMZHIEFXSA-N 429.565 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1760218865 ORBNBMKOEHJTLU-OAQYLSRUSA-N 440.569 2.250 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2C)CC1 1760261516 SFRQZKDSBBYPED-UHFFFAOYSA-N 434.569 2.382 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCSC2)CC1 1760264199 FMVWDSLOLRGDTJ-QHCPKHFHSA-N 441.601 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(Cl)c2)CC1 1760269552 LESHETXEDWXCPT-SFHVURJKSA-N 427.936 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@H]1C 1760315273 CDVVVXVCCFZOKQ-BWPNAZKDSA-N 435.569 2.040 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1760533793 VUMFKVRRFAYYII-UHFFFAOYSA-N 448.531 2.200 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760569418 OAORJPCBQGGDFJ-KGLIPLIRSA-N 449.558 2.303 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc2[nH]ccc12 1761481779 CBPFONZDWLXDAA-XOBRGWDASA-N 445.524 2.054 30 10 IEEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CC1 1765562933 VGKODMQBVNKYNG-UHFFFAOYSA-N 437.596 2.283 30 10 IEEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)Cn3nc(-c4cccs4)ccc3=O)C2)CC1 1855613687 TZEBHEHPRWYGGF-KRWDZBQOSA-N 426.542 2.389 30 10 IEEE Cn1cc(C(=O)N2CCN(c3ccc(C(=O)Nc4ccccc4C#N)cc3)CC2)ccc1=O 1860830096 SZMFCJRKAMIRDD-UHFFFAOYSA-N 441.491 2.472 30 10 IEEE C=CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871605991 LTNAYWCOGUWPRR-UHFFFAOYSA-N 446.559 2.493 30 10 IEEE C=CCN([C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(C)C)S(=O)(=O)C1CC1 1872272038 FCDVZCDNJDXGOH-NRFANRHFSA-N 434.606 2.382 30 10 IEEE O=[N+]([O-])c1cc2c(cc1/C=N/n1c(SCCCO)nnc1[C@@H]1CCCO1)OCCO2 1874451136 SCIUDOKVACNSLR-YRIIZNAFSA-N 435.462 2.166 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2nccc(N(C)C)n2)[C@H]1c1ccc(C#N)cc1 1889338889 AYNQQUOJLFEMKP-RTWAWAEBSA-N 438.557 2.124 30 10 IEEE C[C@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892167156 JRFRWJAXNLGBSF-QGZVFWFLSA-N 442.541 2.425 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2N)CCN1Cc1ccccc1 1914859314 CBTYLEMYBBACPH-MRXNPFEDSA-N 435.347 2.430 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2010229940 ULJAIZWZYFJAGZ-YESZJQIVSA-N 439.553 2.027 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010540838 MKDWUDVBXYXZKY-IHPCNDPISA-N 428.533 2.247 30 10 IEEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2174784155 KVXRBSDPTBYLTP-IYWMVGAKSA-N 432.546 2.246 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@@](C)(O)[C@@H](N)C#Cc1ccccc1Br 2227464862 WAPMOGQVBWDVQN-QFBILLFUSA-N 427.339 2.420 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2232277097 YLWIHEGFMAUWLA-CAJLXGCNSA-N 447.341 2.392 30 10 IEEE COC(=O)[C@@]1(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2232301099 BZSUWMWVACDKJY-JOCHJYFZSA-N 448.325 2.312 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243435453 QPZIARCNABPQSH-UHFFFAOYSA-N 446.400 2.193 30 10 IEEE COC[C@@H](COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)NC(=O)OC(C)(C)C 2247254092 CFYDQDGKFXVRLC-ZDUSSCGKSA-N 426.294 2.438 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 2247556181 MVOFOEWCIVGNGM-JXORXQGFSA-N 437.537 2.045 30 10 IEEE CC1(C)OB(c2ccc(Cl)c(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247900085 SSBWDHQQVFLNAA-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2247922287 FRACFCGZTZBPND-UHFFFAOYSA-N 437.371 2.477 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)C1 2255187477 VHRLNTCICRZTBG-AQDYNUDPSA-N 439.556 2.405 30 10 IEEE Cc1cnc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255612597 SXWHHQLKCFJQJU-HOTGVXAUSA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255651069 UFWFHQGQBZYWSS-CQSZACIVSA-N 435.305 2.259 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCC(N)=O)Cc1ccccc1 2255677473 ITEMGWUYQHOMEK-UHFFFAOYSA-N 425.338 2.325 30 10 IEEE CCCN(CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255699722 ZWUQSYKMQMVLOK-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H](C3)N2C(=O)OC(C)(C)C)n1 2255821847 HHMHMAJWXLRNFL-KBPBESRZSA-N 432.330 2.248 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843182 COCRIRZKHYGFQR-AWEZNQCLSA-N 434.346 2.103 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2255866253 PEDNUGWQSYLLBE-DLBZAZTESA-N 437.390 2.480 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256621011 PKUMEWZNERRKRM-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C#CCNC(=O)OC(C)(C)C 2256625858 CMFCVKURXZMHTO-UHFFFAOYSA-N 428.338 2.472 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2266748006 NOSCOPFMRMIYBM-GJZGRUSLSA-N 447.341 2.328 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267142769 YTRBAAMAAHTRPY-HUUCEWRRSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267145596 FQULGWLZGVATOB-QKDCVEJESA-N 446.357 2.369 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267175458 MGEIHKLZBMUCQX-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267177447 NRMSVKCAMLLBIW-YUTCNCBUSA-N 442.243 2.250 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267181267 QDFWAFZXOZROAI-CABCVRRESA-N 448.373 2.237 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183169 LXXUFWRSTMTKCC-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267614236 LCKCKHIQRIAPOD-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267873066 NJOVYDDKLQRPAN-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCCOC1 2268644560 QLQUEASFLAEPDD-QFIPXVFZSA-N 447.341 2.393 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2268708895 IBWJGKOCGUMMOK-GOSISDBHSA-N 448.369 2.220 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC[C@@]34CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2282018413 WUCFUEZNNPERQX-UQBPGWFLSA-N 448.376 2.418 30 10 IEEE C#CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc1OC 2297353888 BBBRBRFHIUZPJC-UHFFFAOYSA-N 435.299 2.282 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303621214 AXCOCSJOGSBFBA-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE COCCn1cc(C#C[C@H](O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318096168 DWRKIFLVRHUULA-VXKWHMMOSA-N 442.560 2.267 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2320438471 AAIOEEUQBZKMBO-GOSISDBHSA-N 426.322 2.078 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ccc(C#N)c(Br)c1F 2333603025 UQGNEFBXSUNHOQ-ZOWXZIJZSA-N 430.274 2.213 30 10 IEEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C#N)CC2)cc1 8934011 OJIGAYNBPWKKLL-UHFFFAOYSA-N 447.538 2.001 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 109937966 JPASXIJZGFSPDQ-GOSISDBHSA-N 434.477 2.365 30 10 IEEE C#CCN(CC(=O)O)S(=O)(=O)c1cc(Br)c(C)cc1Br 155768407 ZBMHYFCEIXXXCU-UHFFFAOYSA-N 425.098 2.229 30 10 IEEE CN(C)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254750597 DLSFOPHBFKHDCH-RBUKOAKNSA-N 445.566 2.433 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(CCOC)C(=O)C1 460784741 PNQXSZAKNQQWFR-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE Cc1onc(CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1C#N 470375489 NXTAUQUHRVTECZ-UHFFFAOYSA-N 437.283 2.454 30 10 IEEE CCN1CC[C@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](C)C1 471231404 HHCGDRCALSWZPF-HKUYNNGSSA-N 440.548 2.117 30 10 IEEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c2C1 487328970 AUTSSMSBTVTTCL-CXAGYDPISA-N 430.306 2.339 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 500602919 BCGBKKPZTCGETD-MOPGFXCFSA-N 449.555 2.419 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCC2(CCCCC2)CC1 508285671 CIYMMGMCVJPWKF-SFHVURJKSA-N 432.590 2.388 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 508462807 AFVGYTZSHOESSM-INIZCTEOSA-N 435.532 2.119 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2nc(C)no2)CC1 508498140 PRMQNLCHQASHIS-UHFFFAOYSA-N 433.314 2.235 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CCOc2ccc(Cl)cc2)CC1 508823463 DECLKCXPZJWKKN-LJQANCHMSA-N 433.940 2.406 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 509207609 BPYNNDPSCGFYAE-NVXWUHKLSA-N 430.534 2.320 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 521962567 IXYFHXHBQWYSGR-GOSISDBHSA-N 437.456 2.008 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)CC1 524465755 ANJGXKLFWPGPGL-UHFFFAOYSA-N 427.593 2.048 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccc(F)cc1 534403173 VLIGXTDNUATJES-UHFFFAOYSA-N 443.450 2.344 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(-c3cccnc3)s2)CC1 534874366 OCBDYUSPORJATG-UHFFFAOYSA-N 439.522 2.223 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC1 539198701 XANHTAIWLJIJLA-QFIPXVFZSA-N 448.011 2.029 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nc1 578045563 VDMBVMHXNVBMEZ-HNNXBMFYSA-N 426.420 2.294 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 589555149 JERXKQJZODTELI-UHFFFAOYSA-N 431.514 2.087 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603800280 QQMVYDMMKVNVMN-MRXNPFEDSA-N 441.509 2.115 30 10 IEEE CC(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 619848890 OMETWAVSYHDMGT-QGZVFWFLSA-N 427.509 2.086 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)cc1 735342068 WETZPHCNHAKQAB-HXUWFJFHSA-N 444.484 2.398 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccc(C#N)cc1 740212287 LRPHUAKVMZFETC-IBGZPJMESA-N 428.466 2.318 30 10 IEEE CCOc1ccc(C(=O)N2CCC(Nc3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742174674 HAADLYBIULUGTN-UHFFFAOYSA-N 428.514 2.321 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CCC(=O)N2C)cc1 744007164 CDPYSPGLEPASRC-CTNGQTDRSA-N 441.509 2.123 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCCOc1ccc(C#N)cc1 745866944 CRKZBCMZZZEPIX-UHFFFAOYSA-N 431.537 2.131 30 10 IEEE CN(Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)C(=O)OC(C)(C)C 749645692 KXZXHEXVNSSRQL-LJQANCHMSA-N 441.532 2.191 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cccc(S(N)(=O)=O)c2C)cc1 754326109 CXYHIIJBKZNUJU-MRXNPFEDSA-N 429.498 2.443 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 760108308 ILVQEGXZBYHFTI-UHFFFAOYSA-N 440.525 2.443 30 10 IEEE N#Cc1ccc(CN2C(=O)CN(CN3CCC4(CC3)C[C@H]4C(=O)N3CCCCC3)C2=O)cc1 770679592 SHMJNBMWIBPZJL-NRFANRHFSA-N 449.555 2.395 30 10 IEEE N#Cc1ccc(N2CC[C@H](OC(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)C2=O)cc1 780255058 NXVSBMCXZWYWAZ-RDPSFJRHSA-N 449.463 2.292 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)Nc3cccc(C#N)c3)c2C1 782417395 FESZNMUWEQNRQB-UHFFFAOYSA-N 425.445 2.370 30 10 IEEE Cn1ncc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)n2ccc(=[N+](C)C)cc2)n1 789403312 VGMCQDAZSPPAME-UHFFFAOYSA-O 440.940 2.497 30 10 IEEE CC(Cn1cc(Br)ccc1=O)=NNc1ccccc1S(=O)(=O)N(C)C 793182358 FMXXFSPUWVLRBA-UHFFFAOYSA-N 427.324 2.349 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1 796198509 DBAQETVQUSQKRC-INIZCTEOSA-N 438.525 2.013 30 10 IEEE NC(=NOCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 798213723 NSBUIFYKACFVMI-UHFFFAOYSA-N 439.921 2.077 30 10 IEEE Cc1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1B1OC(C)(C)C(C)(C)O1 1138644309 IDCOTKUNHLTBHO-UHFFFAOYSA-N 437.349 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)n[nH]2)C1 1139227628 RYLLFVWBOWDODW-OAHLLOKOSA-N 429.477 2.183 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 1150521153 ZTHFYZCOZLHFGN-INIZCTEOSA-N 431.489 2.161 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1160610028 PYSYVNBTMRFTJD-ABSDTBQOSA-N 435.571 2.324 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1161568660 SILJYNCSXPCXMT-UHFFFAOYSA-N 446.460 2.188 30 10 IEEE C#CCn1ccc(CN(CCOC)C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)n1 1169917236 FFSRTKDGJPTBOJ-REWPJTCUSA-N 432.565 2.381 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)nc1 1171545340 RNJDMADWAODFOY-SFHVURJKSA-N 444.532 2.285 30 10 IEEE CCOC(=O)CNC(=O)C1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 1192368697 GIINENNMUJOALN-INIZCTEOSA-N 446.573 2.411 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnc(NC(C)=O)s1 1213711930 SVELNKLITSTJQX-UHFFFAOYSA-N 442.563 2.125 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1286391855 JIIOLUYUMSEECH-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCOC1 1286461833 YIAPWCKDNPTTPT-QHCPKHFHSA-N 438.507 2.070 30 10 IEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1286767580 BLRWOQVORDZGCF-UHFFFAOYSA-N 444.561 2.101 30 10 IEEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286835402 SASYVOJDZUKSGL-GOSISDBHSA-N 431.562 2.036 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCc4ncc(Br)n4C3)cc2C1=O 1289711433 HOROUXUQEGJOJU-LBPRGKRZSA-N 429.274 2.172 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H](C)O1 1293636785 DQYDCCFVZSWJJQ-QFBILLFUSA-N 426.521 2.259 30 10 IEEE CN1C(=O)N[C@@H](C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CC2)C1=O 1298796412 HXEOCIBRJFQLRD-HNNXBMFYSA-N 447.421 2.146 30 10 IEEE Cn1cc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)cn1 1298825439 AHETWLFGFWSFEL-OAHLLOKOSA-N 445.325 2.131 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1300490659 AQSQLYAODFSYRS-SJORKVTESA-N 431.587 2.028 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)N1CCc2ccccc2C1 1300532090 MPUCWBIUUWDIER-VXKWHMMOSA-N 430.556 2.139 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1300547792 DBLXUGATPQFEMZ-UHFFFAOYSA-N 430.434 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnn(C)c2C)CC1 1300688097 AMPPVQAUYPWICL-UHFFFAOYSA-N 441.486 2.392 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2cn[nH]c2)CC1 1300690806 JWCKCJAGNOCBIM-UHFFFAOYSA-N 449.559 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](Cc2ccccc2)OC)CC1 1300719520 DVZZHOJLPNEYDP-OAQYLSRUSA-N 446.555 2.497 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1300763683 QUMFISNMCKLRFW-CYBMUJFWSA-N 434.509 2.245 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1300992371 XUDPBXLJACXHIY-HXUWFJFHSA-N 442.539 2.283 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1301217088 YVIPKIORYFSBRD-PBHICJAKSA-N 432.550 2.040 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1301367016 JQEWIMAGWSJJIV-UXHICEINSA-N 440.596 2.401 30 10 IEEE COCC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301519315 XFUAYLDLAYGIFK-JVMRMLDLSA-N 430.553 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)C(C)(C)C1 1301595824 BQBKLWDEZYQZQY-BZSNNMDCSA-N 440.610 2.475 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNc1ccccn1 1302286395 HKGSLTNFGSELSC-DJPFJPOOSA-N 429.500 2.341 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 1309580548 FELXGSXKCILWMH-HNNXBMFYSA-N 426.336 2.486 30 10 IEEE CCOCCOc1cc(C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1314504502 YOWHAQPOURBQRW-UXHICEINSA-N 441.532 2.283 30 10 IEEE COCCCCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316006018 HPUKEVXTFNZYHO-UHFFFAOYSA-N 449.563 2.397 30 10 IEEE COCCn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1316112607 PULRKQFBDGOUQK-NZQKXSOJSA-N 441.532 2.415 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCCO2)C1 1321325034 MWIIVGZMBKIAOM-IRXDYDNUSA-N 446.577 2.199 30 10 IEEE CON(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1352305055 ARZDATPCULHPQA-MRXNPFEDSA-N 440.522 2.394 30 10 IEEE C#CCO[C@H](C)C(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1353387544 UPXQHRCMXWXPTQ-MRXNPFEDSA-N 440.357 2.203 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 1358912985 CMQXDYZRXDSDMB-IBGZPJMESA-N 449.577 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1358976290 YFRIGHPLTCHGIW-UHFFFAOYSA-N 435.553 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1358990666 WUSNXKOMYBBCST-LSDHQDQOSA-N 432.459 2.074 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359096420 BJBABYNJONUVKR-TZIWHRDSSA-N 430.597 2.127 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359227010 QZZYQMCDOUHJRN-SFHVURJKSA-N 426.477 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccco2)C1 1359330501 UHCCCXGVJBHABY-GOSISDBHSA-N 429.502 2.112 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccs1 1359332137 QAUPPPVWXRTGIR-GJZGRUSLSA-N 435.575 2.233 30 10 IEEE CC(C)CC[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1359898570 AQTXOMDTOVKRBA-WMZHIEFXSA-N 437.548 2.433 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCN(C)C(=O)OC(C)(C)C 1360192444 ADWGOTCYPAFOHX-UHFFFAOYSA-N 433.557 2.413 30 10 IEEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1438911327 SMSVOSVCNNBESY-MAUKXSAKSA-N 433.892 2.039 30 10 IEEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1440686489 SJAOMMDJOZMSCS-VDGAXYAQSA-N 448.539 2.398 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 1452790936 NGFVTAUSACHKRL-QVKFZJNVSA-N 447.944 2.389 30 10 IEEE N#CC1(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCCCC1 1453569809 OZYKWPRIOBUFOM-WBVHZDCISA-N 425.938 2.054 30 10 IEEE C=CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)C1 1455684718 HKLKDMJNRLKODM-UHFFFAOYSA-N 447.469 2.167 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 1462274685 ZAEAHALKZYRAME-UHFFFAOYSA-N 441.937 2.236 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)s1 1463547164 UFAADXFVTHKOIO-UHFFFAOYSA-N 433.555 2.045 30 10 IEEE C=CCC1(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 1464090611 MSCLWAUZKPIIJG-UHFFFAOYSA-N 428.576 2.183 30 10 IEEE C#CC[C@@H](COC)NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1468141865 APIQICKCOVMCAM-IBGZPJMESA-N 433.505 2.142 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1468145073 MYUIQVSLGMPKTK-HKBOAZHASA-N 430.501 2.401 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1474948653 RUAQJQXTAQCJKK-IBGZPJMESA-N 445.493 2.445 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1 1475667766 UQJQPZXUODBKDP-HKBOAZHASA-N 433.574 2.099 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2ccsc2C#N)CC1 1479283336 ZNJZUANWACZNIS-UHFFFAOYSA-N 432.571 2.488 30 10 IEEE Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOC(C)(C)C)c2ccccc2c1=O 1503686812 VPKIHOWLUWANEI-JOCHJYFZSA-N 439.495 2.449 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cnnn1 1507544347 VGCKKECSVNRLHE-AWEZNQCLSA-N 445.325 2.154 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507630125 TZOUAISLBVHSOK-OAHLLOKOSA-N 434.949 2.140 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507630637 DTCYSSWJLKBLTI-QGZVFWFLSA-N 448.618 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1507660310 QGNZWBDZKGYGPU-MBSDFSHPSA-N 425.508 2.087 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1507739647 SMODFVATCLUIFX-JTJHWIPRSA-N 443.592 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(F)ccc2F)CC1 1507740260 ZJOBPOMZPQKYFZ-MRXNPFEDSA-N 429.471 2.074 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507757901 ZWQZWJQSMHBWDP-UHFFFAOYSA-N 429.594 2.421 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507772381 PGEHNVJDLWUDSB-YCRNBWNJSA-N 428.581 2.064 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@@H]1C 1507809034 WBRZAPMSPNMLAU-SIRPWMCASA-N 443.639 2.200 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1507846458 MIVYPFVPODDIAD-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508049747 GWOLMUFAHONEBP-IAQYHMDHSA-N 439.285 2.393 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NC(C)C)C1 1508117005 LLVCMKUFYMHJPV-KRWDZBQOSA-N 429.521 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1508131554 LZZQMXDIKUXXIA-NFBKMPQASA-N 439.516 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)C#N 1508139241 FABZFEDHNBFITK-QGZVFWFLSA-N 439.545 2.327 30 10 IEEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1518861145 GXIZZHGLKSUWAN-SFHVURJKSA-N 431.500 2.222 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(C)COCCO1 1519152492 QNWRISBKYXTNAI-NFBKMPQASA-N 441.532 2.112 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1537994343 DNDIRTMIWRXKBQ-IEGUWTFLSA-N 427.501 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539011290 DBJKIMIRBVVSMH-WBVHZDCISA-N 435.981 2.262 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1539211002 ILIQHOMOPPSTKH-LJQANCHMSA-N 438.557 2.145 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC1CC1 1539315333 IVKFGYXFMGHFRJ-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1539330331 IBYMHKGMNPYVJQ-YQVWRLOYSA-N 441.475 2.495 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1539346216 CLAKRNQLRBENDQ-CYBMUJFWSA-N 440.367 2.320 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539490998 JUODMHLGSZEYAO-LJQANCHMSA-N 432.638 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539631556 MDYPQEJFFTZYAM-AZUAARDMSA-N 439.626 2.223 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CCC)C(=O)C1 1539757837 ARKMFWIVZJSMTF-UHFFFAOYSA-N 429.569 2.181 30 10 IEEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540066061 OVZMRPYLJIDSKP-INIZCTEOSA-N 428.562 2.341 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@H]1CC 1540911801 COGQLKGDDVMOEG-MRXNPFEDSA-N 429.546 2.350 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1541116049 IOLKXFTYXARHFZ-GOEBONIOSA-N 434.541 2.029 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1=CCCOC1 1541681767 XBFPDVFBJRMQIQ-HXUWFJFHSA-N 436.516 2.213 30 10 IEEE CC(C)OCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1541754217 FEMUUUNKIOCZJW-UHFFFAOYSA-N 435.536 2.087 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1554205960 KPTSABSQBAJECH-GOSISDBHSA-N 435.488 2.268 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C[C@H](C)O1 1555403732 AVSKEJQODNJAGH-MAUKXSAKSA-N 440.529 2.474 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)ccc21 1556219717 LRFAYNJIFQONQN-CABCVRRESA-N 443.447 2.431 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CN2CCO[C@](C)(C#N)C2)cc1 1560182150 FDXKSSBYJAKZDZ-OAQYLSRUSA-N 434.562 2.193 30 10 IEEE Cn1cc(Br)c(=O)c(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 1562602834 HWCRGSMEMKLKMY-UHFFFAOYSA-N 431.294 2.205 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 1565345244 HFCXRNOXWYKFAN-WBVHZDCISA-N 448.365 2.302 30 10 IEEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1n[nH]cc1C#N 1570568645 CWKQIOAEBLACGK-GFCCVEGCSA-N 425.308 2.276 30 10 IEEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1587793078 GCJRPAQYTMIJPB-SFTDATJTSA-N 444.624 2.245 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOCC(F)F 1587922020 PVOKZZUZFGPUDQ-UHFFFAOYSA-N 440.520 2.288 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1588045286 IWQJCCUVQSDYSG-XMSQKQJNSA-N 430.574 2.431 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1593752010 BUIRGUQVLIABMF-GOSISDBHSA-N 434.562 2.094 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1594645105 JOMGXBJLGYCYEY-OAQYLSRUSA-N 443.640 2.362 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@](C)(OC)C1 1595569985 SWVVDHJCWAPLSI-HSZRJFAPSA-N 427.549 2.379 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1595649291 OASVPAUUNMOJDZ-SFHVURJKSA-N 426.565 2.236 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1596813196 GLOMUTBENVTUJL-CYBMUJFWSA-N 436.467 2.491 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1597616681 NIIDIJNCOKFFPQ-GJZGRUSLSA-N 428.493 2.398 30 10 IEEE C[C@H](CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)NS(=O)(=O)c1cccnc1Cl 1598184688 BLYRIUZGFJONDF-PBHICJAKSA-N 448.932 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3ccccc3SCC#N)CC2=O)C1 1603251645 CIRWMWGGQLJJBO-CQSZACIVSA-N 430.530 2.252 30 10 IEEE C[C@@H](CC(=O)NCc1ccnc(OCC2CC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1615655078 VKEWAUYLEGRVIT-AWEZNQCLSA-N 428.514 2.004 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CC2CCC(C#N)CC2)CC1 1616113279 ZCKDURDVHIJTOI-UHFFFAOYSA-N 439.603 2.035 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1616210808 YBDWRKZQAAOICO-LJQANCHMSA-N 449.596 2.120 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 1618485513 STBNPDSFOJCVGV-MRXNPFEDSA-N 428.470 2.113 30 10 IEEE N#C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccccc1Br 1618520693 ZCUPZSXAMFDQPI-JKSUJKDBSA-N 427.258 2.271 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)c1 1619330830 POSKQKUGUSDMNN-IBGZPJMESA-N 438.532 2.351 30 10 IEEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1620078939 KFMOBHJNBGWREV-RTWAWAEBSA-N 441.532 2.285 30 10 IEEE COC(=O)c1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc1 1633724938 NDVDNGKXJRKCBH-UHFFFAOYSA-N 429.274 2.255 30 10 IEEE Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)Cc1ccc(Br)cc1C#N 1634132969 VCCFKLWHRGQHQJ-UHFFFAOYSA-N 445.273 2.384 30 10 IEEE CC1(C)OB(c2ccc3cc(NC(=O)CCCN4C(=O)CNC4=O)ccc3c2)OC1(C)C 1637075310 XOHAQTMWIQCKMT-UHFFFAOYSA-N 437.305 2.410 30 10 IEEE Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1637111725 KRIWIZYMEXJRDP-BSLALVQMSA-N 438.553 2.368 30 10 IEEE C[C@@H]1COCCN1C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1638000248 ZFDWBLYBZLRREA-GBGMBEOMSA-N 446.592 2.485 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](CC#N)c1ccccc1 1639348349 ZSJRFPCPAIYAQG-KRWDZBQOSA-N 430.486 2.419 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1 1639883005 CHVPEJNLOMZPIR-HNNXBMFYSA-N 430.448 2.157 30 10 IEEE N#C[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccccc2I)cc1 1640691374 MBCZIQAKGJWTNT-AWEZNQCLSA-N 449.248 2.087 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 1641026408 BZLWOMCVYKDCHL-INIZCTEOSA-N 442.497 2.430 30 10 IEEE CNS(=O)(=O)C[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1644036619 WDTATAHVPFHMDX-GJZGRUSLSA-N 438.619 2.477 30 10 IEEE CCOC(=O)[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCOCC1 1645216521 CVNBCFZOARSUTM-IBGZPJMESA-N 426.435 2.121 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 1654941403 ZOCJMJNTTRZDQN-NHCUHLMSSA-N 445.995 2.227 30 10 IEEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC[C@H](OC)C1 1659246160 HOWAKHJRSWMGFR-ZAAXVRCTSA-N 425.489 2.019 30 10 IEEE C=CCn1cc(CNC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)nn1 1673807804 NGRJJAQUWQULPU-CQSZACIVSA-N 428.497 2.300 30 10 IEEE C=CC[C@H]1CCCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1675970034 ACJVJKVUWRICHP-DLBZAZTESA-N 429.583 2.408 30 10 IEEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc(-c2ccc(Cl)cc2)no1 1685486974 UFGNRXOUMYBUIB-SUFBMKPHSA-N 435.893 2.031 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690046504 CIQOZOGLFMFRCD-ZCNNSNEGSA-N 446.617 2.484 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1690229654 BCWGPPQCESUXJW-UHFFFAOYSA-N 429.315 2.151 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690462550 JSSCRTOEGSQAQM-QGZVFWFLSA-N 425.599 2.389 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CC 1690559885 LXBAGYJIWGZYDV-SIKLNZKXSA-N 443.573 2.405 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccsc2)C1 1690684953 SHDVWNSQLRUYGP-LAUBAEHRSA-N 431.562 2.265 30 10 IEEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1696767984 HCXWLZZQMICNHA-SFHVURJKSA-N 429.546 2.114 30 10 IEEE COCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1698223148 JWJQFHZAGLYCAE-UHFFFAOYSA-N 433.516 2.201 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cnnn1 1705485481 JZWRKRNJDPPXDO-ZDUSSCGKSA-N 445.325 2.251 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)N1CCOCC1 1705526525 LNGHNIUSTKACKO-UHFFFAOYSA-N 433.459 2.255 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1705570976 TWKMHWJHHQQQNI-FUHWJXTLSA-N 448.614 2.256 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCOC2CCOCC2)CC1 1705641254 YAEHMKUXUAZCJL-UHFFFAOYSA-N 441.551 2.349 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOc2ccccc2)CC1 1705643512 IPFKCBWEATYSGU-UNMCSNQZSA-N 439.560 2.226 30 10 IEEE C#CCSCCn1c(N2CCN(C3CCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705664853 CZEKQLCBVGZBFW-JOCHJYFZSA-N 433.622 2.360 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(OC)C1 1705736530 VVWOUGYQJBOOKS-UHFFFAOYSA-N 434.566 2.056 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2OCC)CC1 1705900073 PCDKMRHVYBVEMA-UHFFFAOYSA-N 447.543 2.368 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1705938551 BVILYVFPLHBLHX-SQGPQFPESA-N 426.583 2.154 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)Nc2ccccc2)cs1 1707761122 HDVJDFIZRHZYMI-GOSISDBHSA-N 437.529 2.391 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1710166127 DHABTZIPLPZRPL-INIZCTEOSA-N 439.488 2.112 30 10 IEEE CCOc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1710532606 ORNNOIFSHRFOFY-REWPJTCUSA-N 441.532 2.494 30 10 IEEE COc1ccc(CCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)cc1 1711796059 KSVSERVYBSCUAK-MRXNPFEDSA-N 434.500 2.252 30 10 IEEE COCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1712394444 GKEYSDWRSIEQSE-KRWDZBQOSA-N 434.541 2.363 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360487 IDWQHUABFMMGNZ-AVRDEDQJSA-N 443.573 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722385797 OYTAZSXYFYPUAI-UFYCRDLUSA-N 439.560 2.328 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)nn(C)c1C 1722405421 NDBRPMKCCYJWKK-UHFFFAOYSA-N 426.546 2.207 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC[S@@](=O)C(C)(C)C 1722426289 FZZDJCUXZIFOQO-FZYZMVIOSA-N 446.573 2.424 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1C(C)(C)C 1722498705 CSVAIHHUBASUTM-WBVHZDCISA-N 425.599 2.075 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722523419 SRHJAGMXOUCPMX-CYBMUJFWSA-N 448.574 2.493 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722546518 NXLXBGKMAMPDAS-LBPRGKRZSA-N 441.717 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1722729006 VQVLTCMQTRBCDR-IBGZPJMESA-N 445.589 2.018 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1722862494 BYWUVBVARIXCSD-LSDHHAIUSA-N 443.533 2.187 30 10 IEEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1723240797 SCXMDHMAQRGLMK-HNQLTLBLSA-N 446.577 2.234 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1729153412 HRIFFZKSOVJCFW-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729308103 ANLBKHNWJUXAHU-UHFFFAOYSA-N 437.891 2.222 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)cc1 1730115983 DAMYDPYMFJLCPP-JOCHJYFZSA-N 426.496 2.040 30 10 IEEE COCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730694174 AMIXPHTYFWAOFF-GOSISDBHSA-N 426.521 2.175 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCc2ccccc21 1730763393 GDXQSRXSJZVCKA-XMMPIXPASA-N 432.528 2.464 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1740589010 MMGZLBZMZFKALY-UHFFFAOYSA-N 430.516 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740646733 ANZDSFKARXJNGP-QGZVFWFLSA-N 445.976 2.343 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC(OCC)C2)CC1 1740692244 HOMOCOWZMVWZHU-UHFFFAOYSA-N 429.952 2.284 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740716938 FCKNUOKSTHFIHP-WMZOPIPTSA-N 446.598 2.334 30 10 IEEE C=C(C)Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@]1(OCC)CCOC1 1740784881 AHXHVDCNSFJOFQ-QHCPKHFHSA-N 439.516 2.239 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1740789993 AHRAMAKSRVADGF-UHFFFAOYSA-N 425.537 2.317 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740875805 KHTOIOBKXXFBDI-ZWKOTPCHSA-N 438.594 2.168 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1740938545 IUTYYAPTABFWEH-UHFFFAOYSA-N 437.592 2.482 30 10 IEEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C 1740965454 PQOMQQNORQUGRE-FXAWDEMLSA-N 442.612 2.131 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1 1740969201 LKGCGXJZJSHAMY-MJGOQNOKSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2)C1 1740992428 PTIDTRMWTSNZBB-WOJBJXKFSA-N 446.573 2.351 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1741288278 BKYIONNQIDMJQL-UHFFFAOYSA-N 439.564 2.330 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1747731787 YYROXUKNCVAMLL-RTBURBONSA-N 429.546 2.115 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1=O 1748046019 QDIFPHSAQBDZAG-NRFANRHFSA-N 438.923 2.318 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@@H]2C)c1 1748578321 FOLFCLHGYRHHMB-RZQQEMMASA-N 427.505 2.364 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1748929501 KYSRQYPIKAIESK-GOSISDBHSA-N 443.552 2.311 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([S@](C)=O)CCC1 1748956793 IUTRXEKOCIDHOG-PMERELPUSA-N 430.530 2.061 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(c2ccc(F)cc2F)CC1 1748968113 AOBVGCCUSMQQSR-UHFFFAOYSA-N 443.498 2.497 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSC(C)C)CC1 1748987350 USLZTKLBGHLDOQ-UHFFFAOYSA-N 437.573 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](CC)N2CCCC2)CC1 1749011141 VZYRIHZLWQSJRP-FQEVSTJZSA-N 435.576 2.180 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749230276 WGTFGRJGJAFNGR-APWZRJJASA-N 448.545 2.007 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749280286 GGMFQHKWWXMLLT-KRWDZBQOSA-N 444.923 2.391 30 10 IEEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749346568 GKJWJWDYFMOVDF-KRWDZBQOSA-N 444.511 2.320 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1)C1CC1 1749507136 YOQMPWYGGSFENT-UHFFFAOYSA-N 439.507 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@H]2C)C1 1749694911 XQINEOWYKBQVBT-FGTMMUONSA-N 426.521 2.379 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnc3n2CCCCC3)CCOC1 1750060758 JNBHONUDVBQVRE-VGOFRKELSA-N 442.568 2.281 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1750076493 OFEZNKIOIYLXNG-JLDZCNIISA-N 448.568 2.343 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC[C@H](C3)C4O)n2CC(=O)NCC(F)(F)F)c1 1750377919 CFCCGXOOLATOMM-BYICEURKSA-N 448.449 2.092 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1750378538 JYYWASINMQUGMT-UWJYYQICSA-N 449.481 2.062 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccncc4)n3CCCCCCO)CC2)nc1 1750384016 KIOPKUSMAPCGOQ-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1750390125 FTZYEVMMRRYDTF-HOTGVXAUSA-N 439.486 2.243 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760123039 XMBBLMCFPMABDM-MOPGFXCFSA-N 425.533 2.118 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC[S@](=O)CC)c1 1760125827 MLFCETSWYZZJRE-WJOKGBTCSA-N 436.541 2.165 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC1CCCCC1 1760232575 IMGFUVLQTWDTDX-UHFFFAOYSA-N 426.521 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1C 1760252312 DBBOBFDAMKUEAL-IAGOWNOFSA-N 431.562 2.028 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760289136 MMZCPTYKAKNKFN-DCXXXQMHSA-N 436.626 2.001 30 10 IEEE C=CC1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1760406058 QJEPWQWWGBTQJP-MOPGFXCFSA-N 437.610 2.421 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760454119 WIJKCMLWAUUPKV-UHFFFAOYSA-N 438.576 2.393 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](CO)O1 1760478904 WRAVTPIKKRVAFD-VQTJNVASSA-N 438.532 2.020 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCC2)C1 1760520042 YESWIMZNFPFIJK-UHFFFAOYSA-N 427.505 2.024 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCc1ccco1 1762227794 GGXQDHDZCUTRQO-UHFFFAOYSA-N 441.536 2.236 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1763912174 FHWKKMRRWXBVTC-QZTJIDSGSA-N 428.537 2.325 30 10 IEEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1765023274 KSRNXJORWVUERU-UHFFFAOYSA-N 449.563 2.095 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1766686882 GTTFLLNSVKHCCG-RBUKOAKNSA-N 429.546 2.399 30 10 IEEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CC[C@H]21 1767442501 IUIXIDJXKMYKDQ-DLBZAZTESA-N 430.459 2.155 30 10 IEEE CCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1768146454 UBEFECGYJNCDMF-KRWDZBQOSA-N 448.531 2.367 30 10 IEEE COc1cccc([C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)c1 1768767823 DDONIXGLFCKCIZ-DENIHFKCSA-N 436.495 2.489 30 10 IEEE C[C@H]1Cn2nc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2CN1C(=O)OC(C)(C)C 1772791776 FVWBYBRDYMHLAI-LBPRGKRZSA-N 426.429 2.390 30 10 IEEE N#CC1CCN(CCNC(=O)c2nnn(-c3ccc4c(c3)OCO4)c2-c2ccncc2)CC1 1850669367 IKJZVUFACXGWCL-UHFFFAOYSA-N 445.483 2.023 30 10 IEEE C[C@H]1CCc2nn3ccnc(N4CCN(CC(=O)Nc5ccccc5C#N)CC4)c3c2C1 1851275561 HEBLKEYTCLUXOB-KRWDZBQOSA-N 429.528 2.486 30 10 IEEE C=CCN1C[C@H](C(=O)Nc2c(-c3nnc(C)n3CCc3ccccc3)cnn2C)CC1=O 1852761965 CNAIJMVRVNYZLG-GOSISDBHSA-N 433.516 2.203 30 10 IEEE NC(=NOCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 1853417340 YPVFUILVZPGSHL-UHFFFAOYSA-N 444.919 2.440 30 10 IEEE C=CCN([C@H]1CCCN(C(=O)CSc2ccc(OC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1853790217 WLPFGHOWGIRSCG-RBUKOAKNSA-N 431.558 2.024 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)C2(CCCC2)C1=O 1854444585 OQADFTOPJYXQER-UHFFFAOYSA-N 443.447 2.432 30 10 IEEE C[C@H]1C(=O)N(C(=O)C[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855807479 XNIBMFPSGKNFMY-UONOGXRCSA-N 425.457 2.132 30 10 IEEE N#Cc1cccc(C(=O)Nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cn2)c1 1858280868 UBKBVIRHLSNXTQ-UHFFFAOYSA-N 425.404 2.440 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862748466 BWHOAJWOGWEWBL-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C[C@@H](C(=O)O)N(CCC#N)C(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1866338424 XSJGBQNISQABHY-DOTOQJQBSA-N 447.488 2.229 30 10 IEEE CC(C)[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868782339 HJWBMDGUYAVUSM-TZIWHRDSSA-N 446.617 2.396 30 10 IEEE C#CCOc1cn(CCc2cnc[nH]2)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871006906 AXSDXYIGHZKDNW-UHFFFAOYSA-N 438.484 2.464 30 10 IEEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(c4cccc(Cl)c4)CC3)ncnc21 1873595871 VYPXJPZGQZTPSF-UHFFFAOYSA-N 440.935 2.319 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2C#N)c(=O)c2cc3c(cc21)OCO3 1873866352 CZSXCVBORWUEQH-ZDUSSCGKSA-N 432.436 2.379 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c(F)c1 1891048156 KNISTJCKPMRCRJ-UHFFFAOYSA-N 446.421 2.323 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 1891294632 MNNRYAIQIKSKHU-UHFFFAOYSA-N 429.480 2.489 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1ccc(I)cc1C(=O)O 2009896754 KNTFVFMKXXDQTP-UHFFFAOYSA-N 444.225 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@@H](N)C#Cc1ccccc1Br 2227493778 RIQRDUHYWAJRQW-HOTGVXAUSA-N 445.379 2.456 30 10 IEEE C=CCN(CCC(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2244610588 VREDVCQTWSDIMZ-UHFFFAOYSA-N 427.542 2.240 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255699466 XKDDUVALGHARNJ-FPTDNZKUSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256638877 KJYOSBDWGQEXBK-AOMKIAJQSA-N 436.358 2.442 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139450 GPXQRKUPIRUOSR-LPHOPBHVSA-N 438.381 2.278 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2267183383 NKIAYOMBCVKDRI-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2)OC1(C)C 2267269627 GMFSROJFBJUJSW-OAQYLSRUSA-N 432.333 2.231 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2267519150 GFVOAVZYAYBRCD-INIZCTEOSA-N 446.307 2.349 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2267538980 XQGDJBFHQJJWSV-OAHLLOKOSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267592023 JVPUEDWDPWHUDV-GASCZTMLSA-N 446.357 2.199 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2268632318 IWXHNHDNHRHJQB-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2268643137 WMVOFHQGRZAVHP-GDBMZVCRSA-N 447.341 2.249 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2269719385 SCCIXVIQMHENPR-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE N#Cc1cc(Cl)ccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270524533 MMWLXPUCMLOQKF-INIZCTEOSA-N 437.861 2.333 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1cccs1 2296115750 IQNFDILSXQNFSS-GOSISDBHSA-N 443.481 2.410 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306820 OVUXYYOXYKPFJM-CVEARBPZSA-N 437.321 2.302 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc(Br)cc2)cc1 2325707642 FXDBGIQZFVYKIR-UHFFFAOYSA-N 437.315 2.038 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)[nH]1 2337027342 DJWZVSQBOVJRSL-CGTJXYLNSA-N 447.385 2.187 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2352406172 QRMDIRMCNUMWSA-HNNXBMFYSA-N 446.357 2.294 30 10 IEEE N#Cc1ccc(C2(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 435816884 JARTVDRCNZHUHW-UHFFFAOYSA-N 429.473 2.389 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2)n(C)n1 446932238 USHIBSZRBSMVKK-GOSISDBHSA-N 425.512 2.240 30 10 IEEE COC(=O)C(C)(C)N(Cc1ccccc1Br)C(=O)[C@H](C)n1cnc(C#N)n1 464715237 VMMOSQOFIYOSJK-LBPRGKRZSA-N 434.294 2.454 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N1CCN(C(C)=O)CC1 481365615 ALJAJYKGJKNLNZ-UHFFFAOYSA-N 429.546 2.134 30 10 IEEE Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)c1C 503646482 XZDMWGKKLJZFME-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c(OC)c1 505401351 DSCQTHAUIOPGGU-SFHVURJKSA-N 429.561 2.394 30 10 IEEE CN1CCOc2ccc(NC(=O)C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc21 511293705 AKFTZXBDPDMRQF-UHFFFAOYSA-N 435.484 2.227 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)Cc1cnn(C)c1C 514740117 QOPJACLSKGZNHO-UHFFFAOYSA-N 448.575 2.100 30 10 IEEE Cc1nc2nc(N)nn2c(C)c1CCC(=O)N=c1ccn(-c2ccc(Cl)cc2C#N)[nH]1 543022974 QNSKVYXJQPKXMI-UHFFFAOYSA-N 435.879 2.027 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](C)C1 555290764 CTIJHZGNRUCFEO-QGZVFWFLSA-N 433.578 2.082 30 10 IEEE Cc1nc(C#N)c(N2CCC(c3nc(-c4cc(N5CCN(C)CC5)ccn4)no3)CC2)o1 567198906 HXWVZQQNCXHZJD-UHFFFAOYSA-N 434.504 2.436 30 10 IEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669813210 SFSDORKNHDOCDU-ZDUSSCGKSA-N 440.367 2.412 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 685549753 NYKJQSFRBZMFPJ-CVEARBPZSA-N 435.532 2.341 30 10 IEEE C=CCN(Cc1ccccc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729625093 NFXVTOULHBOMLG-UHFFFAOYSA-N 444.337 2.309 30 10 IEEE C=C(Cl)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735969151 FKXYXOJDPSWSKP-INIZCTEOSA-N 438.937 2.167 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1OC 749379707 DNPCIPBTKNNZKU-AWEZNQCLSA-N 443.261 2.437 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cc2F)c1=O 758051252 ZFQRMGXSOPMNPZ-UHFFFAOYSA-N 445.313 2.317 30 10 IEEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)c1cn(CCCC#N)c2ccccc12 774203124 RSQNCPGTOYYFNJ-UHFFFAOYSA-N 432.483 2.307 30 10 IEEE C[C@H](NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(C#N)cc1 775164198 WJUKRCHFYMGJSZ-SKTWIKFTSA-N 438.553 2.354 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCCC#N)C1=O 784125775 SLBFRZNLJGCZLC-IBGZPJMESA-N 427.574 2.478 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 788552753 QALHCUJGCFXWHJ-UHFFFAOYSA-N 426.445 2.193 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)n1 788919055 YLCRJUSULYBGHG-KRWDZBQOSA-N 425.489 2.392 30 10 IEEE COc1ccc(S(=O)(=O)C(F)(F)F)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 793389939 ZLEMDNWTEROQLZ-UHFFFAOYSA-N 435.405 2.365 30 10 IEEE N#Cc1ncccc1OCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O 794492668 WRVBFFFCZHKITJ-LICLKQGHSA-N 426.429 2.324 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)=NO1 798997732 MDQVONJDPZPXKI-OFLPRAFFSA-N 443.504 2.429 30 10 IEEE COc1c(C)cc(C)cc1S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 800417624 NGDVCPXTERMDSR-UHFFFAOYSA-N 441.513 2.281 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCO2)n1 812307720 YAKKIFRXROOZJA-HXUWFJFHSA-N 435.532 2.310 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)cc2C1=O 854382614 GJOSWCDFPYOCMN-LBPRGKRZSA-N 434.404 2.228 30 10 IEEE COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 917768488 OQSNDDWFGDXTEA-MRXNPFEDSA-N 446.956 2.479 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 918387690 PQONNTBYIQRJDE-INIZCTEOSA-N 436.534 2.008 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H]3CO[C@@H](CCC(=O)OC(C)(C)C)C3)CC2)c1C#N 1129372490 JXSZTPQWIYQMKQ-HOTGVXAUSA-N 434.562 2.499 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1142860549 GOSJBSQCLRMFED-ZIAGYGMSSA-N 444.937 2.373 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1165728326 NCKAEMZCSAVFAV-ZIAGYGMSSA-N 428.411 2.188 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C(=O)OC 1171470773 UJCPLSSRYAARBG-KRWDZBQOSA-N 446.481 2.454 30 10 IEEE C#C[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1218681940 PNACSEMIJXNVNN-AWEZNQCLSA-N 433.486 2.010 30 10 IEEE N#Cc1c(CCCNC(=O)NCCn2ccc(C(F)(F)F)n2)nn(-c2ccccc2)c1N 1254936460 TVQNPSYLHJTDLK-UHFFFAOYSA-N 446.437 2.473 30 10 IEEE COc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1S(=O)(=O)N(C)Cc1ccccc1 1265616455 FMOAWPVVQQIZBZ-UHFFFAOYSA-N 439.497 2.373 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286295679 JDRGFOWYPRVASO-RTBURBONSA-N 431.544 2.390 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)Nc1ccccc1 1286400320 CBBCYEDHKCTKEH-XMMPIXPASA-N 435.528 2.420 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCOC)CC1 1286489038 CPMUZDJGHCKTTO-UHFFFAOYSA-N 432.528 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCCC(C)(C)C2)CC1 1286493456 BDVKSXISHOYXSQ-HXUWFJFHSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCCN2CCCC2)CC1 1286494363 MHNHDSMHWSRWGL-OAQYLSRUSA-N 442.608 2.362 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286504892 RWOZQSGZNCWCMU-ROUUACIJSA-N 427.578 2.250 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286565359 JPSKOSSWQMBYOK-DYXWJJEUSA-N 446.596 2.378 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286626706 GOCJRLHONCXNFH-UHFFFAOYSA-N 430.988 2.482 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286790351 DHQFJQHDIYHNHL-PGRDOPGGSA-N 442.612 2.032 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C1 1286803605 FFQQWYIIJWXEIG-IBGZPJMESA-N 425.581 2.147 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCOCC2)CCCCC1 1288079041 GRNKWIJPLMQYIZ-UHFFFAOYSA-N 443.596 2.191 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCc2ccn(C)n2)CCOC1 1296537013 ANQICBPKLAACIZ-HSZRJFAPSA-N 435.532 2.414 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2cccs2)CC1 1300381461 SDXTUUBGHJEESI-OAHLLOKOSA-N 449.602 2.463 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300400139 UNHONQOKZAIYIN-UHFFFAOYSA-N 440.573 2.480 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1300532752 ZTPSMBVXAJELGQ-GOSISDBHSA-N 435.528 2.297 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CCC(O)CC1 1300663856 HLPKKLNWFYTPQV-UHFFFAOYSA-N 448.571 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](COC)OC)CC1 1300718618 BPQRDMLIZSMMIB-QGZVFWFLSA-N 445.951 2.226 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC(=O)NC2CC2)CC1 1301091171 AUMHXXCYDHCERF-UHFFFAOYSA-N 428.562 2.485 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1301362582 GEBNZWDVHMBGJF-WMZOPIPTSA-N 430.578 2.204 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1301502603 LUZAVBBJUYXVIN-UHFFFAOYSA-N 442.539 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301578798 JDECPZRWXVZQHI-IBGZPJMESA-N 444.605 2.253 30 10 IEEE CSCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302746619 QVMOFMSPIOBRPM-QGZVFWFLSA-N 441.561 2.297 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1303633606 HQUOSBLCTAEMCH-GOSISDBHSA-N 432.532 2.360 30 10 IEEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n1 1304771097 GYYBLUYJQPKSPD-QHCPKHFHSA-N 432.532 2.422 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC[C@H]2CCC3(CCOCC3)CO2)C1 1312468179 BYHNUWYLFFUQDI-KSZLIROESA-N 436.553 2.411 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)O)cc1Br 1332213056 FRGLOUSRPZXJTE-INIZCTEOSA-N 437.271 2.227 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)cc(OC)c1OC 1358413442 BXBLTCWEYDGGHI-LBPRGKRZSA-N 439.877 2.159 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCn2nc(C)nc2C1 1358906710 QAGPUMAUOOWULB-UHFFFAOYSA-N 439.545 2.072 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1359000734 DBHFAYPRYRTFPE-FDDCHVKYSA-N 427.549 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)CCOC)CC1 1359046452 RZVHVAPXNMPMEQ-UHFFFAOYSA-N 438.576 2.292 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359274884 DNXORFGFNKZXOJ-QFIPXVFZSA-N 430.574 2.330 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1 1359282015 PADJLLVJGUMQLR-HOCLYGCPSA-N 439.607 2.388 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1359522044 KVGIBEKIOTXAAE-GOSISDBHSA-N 446.577 2.007 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)C1 1360034211 CQWSGBCITUVEBR-ZWKOTPCHSA-N 440.552 2.021 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)n2)cc1 1361015597 FXASQQOZPDYSND-UHFFFAOYSA-N 431.378 2.125 30 10 IEEE N#CCOc1cccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 1436689209 CACQCDQALXNPSA-UHFFFAOYSA-N 436.873 2.482 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NCc2cccc(OCC#N)c2)nn1 1443913239 PLPBGYWIQXUTLO-UHFFFAOYSA-N 428.493 2.415 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC(O)(c4ccc(Br)cc4)C3)CC2=O)cc1 1453532209 GOMYAIIPNHSIJK-HNNXBMFYSA-N 440.297 2.404 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1456243874 GTXHGRHGZFBIQC-UHFFFAOYSA-N 426.542 2.041 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1460700175 AEZDXRRRBPXVCB-FQEVSTJZSA-N 425.577 2.436 30 10 IEEE CCC(=O)NC1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1460777874 JTCOQDRBOGQHCL-SFHVURJKSA-N 441.576 2.347 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(Cc3ccnn3C)CC2)n(Cc2ccco2)c1C 1460960548 VZZHLCDVMYCENE-UHFFFAOYSA-N 435.532 2.108 30 10 IEEE CN1CCN(c2ccc(CNC(=O)Cc3ccc(Br)cc3C#N)cn2)CC1 1463931800 WZZMRGIHNXIKFR-UHFFFAOYSA-N 428.334 2.326 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1464359597 WREQCFSUQWIVAG-SFHVURJKSA-N 432.521 2.206 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1464926133 AHPJDICFTAGCLB-SFHVURJKSA-N 439.560 2.259 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1466695539 ZVFFBTPXNACQEN-VQIMIIECSA-N 431.374 2.197 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(C#N)cc1Br 1472814574 NWSDOPBCRIZLAK-UHFFFAOYSA-N 440.279 2.039 30 10 IEEE CCN(C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1501494344 CUMZEANDRSUJLP-FXAWDEMLSA-N 444.605 2.419 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504572436 HMMXHTJJKXBRNG-LMMKCTJWSA-N 440.552 2.179 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC=CO1 1507654090 VNQQASBMEYOPQM-OALUTQOASA-N 441.532 2.352 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)ccc1OC 1507713859 ZIRHRJUDPSJYLE-UHFFFAOYSA-N 431.924 2.197 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)CC1 1507735289 QUGYPRBBJSFXST-OAQYLSRUSA-N 432.528 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCO2)CC1 1507739434 HUHDGYJDLUEALA-IBGZPJMESA-N 442.589 2.169 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1507754787 ZSCLODXEWUQWKV-SFHVURJKSA-N 429.594 2.001 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1507843764 SZYYCTLXXQAPRL-FQEVSTJZSA-N 440.548 2.157 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1509482306 VZPBAKNDYTZSNT-GOSISDBHSA-N 440.548 2.458 30 10 IEEE CCCNC(=O)CCn1c(COCC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1515077452 CLAQGRKZGOIWGA-UHFFFAOYSA-N 443.527 2.068 30 10 IEEE CCCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 1534268716 QPGDZVMYHSLMSD-CULCSUMMSA-N 434.562 2.477 30 10 IEEE C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(S(C)(=O)=O)cc1 1535625245 AFEMZTYKPHXVHX-YJBOKZPZSA-N 425.510 2.235 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1538974019 QRNQDISMUGQLPE-QWHCGFSZSA-N 425.942 2.057 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539421759 XPCOXAGPFNOMPT-UHFFFAOYSA-N 447.580 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1540902053 YWFFUKVRKFIYMS-LJQANCHMSA-N 438.594 2.311 30 10 IEEE Cn1nc(I)cc1C(=O)N1CCCN(c2ccccc2C#N)CC1 1542828710 ZHSQKFZQVNBCMI-UHFFFAOYSA-N 435.269 2.249 30 10 IEEE Cn1cc(C(=O)N2CC[C@@]3(CO)CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C2)cn1 1548366680 DSVPKCFYHNGJRP-UZLBHIALSA-N 433.434 2.272 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)c1 1555011364 FJDWXJQIEWVFOW-LJQANCHMSA-N 438.532 2.331 30 10 IEEE N#Cc1cnn(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)c1N 1557715407 LSJPVMPRQBHBDH-SNVBAGLBSA-N 444.336 2.045 30 10 IEEE C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1562002051 NEFTZPHLOBREFA-LLVKDONJSA-N 433.267 2.254 30 10 IEEE COC(=O)c1ccc(F)c2c1CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1564530595 FZIBMUFYXPAYIF-FZKQIMNGSA-N 446.479 2.439 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 1587113824 IJABKQAXVVGVMZ-WBMJQRKESA-N 444.351 2.138 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1588003100 PWTGVCHZNVPEBC-INIZCTEOSA-N 431.466 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)c(F)c1 1588628508 KGGQCDQCKJWGNJ-UHFFFAOYSA-N 429.427 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589503402 CLCDKSPSTCIPRJ-HBMCJLEFSA-N 439.560 2.440 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589515659 QRWMCWDJLDQUSF-SCTDSRPQSA-N 448.593 2.020 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1593757333 BECCJJMDWDXUEF-SFHVURJKSA-N 437.548 2.166 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1594733002 KXNGNQGUHZKLMU-QGZVFWFLSA-N 441.561 2.364 30 10 IEEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1617498581 DFGRYKYECXQUPS-SFHVURJKSA-N 448.618 2.478 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1620001931 LQJSHTLYXJTMPM-KKSFZXQISA-N 430.509 2.042 30 10 IEEE C[C@@H](C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)N(C)CC(F)(F)F 1627570064 RRXGFDKLWXVBAS-YIZRAAEISA-N 431.299 2.469 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C[C@H]4CCCO4)CC3)C2)C1 1628226944 AHQWZDYRVFTNFK-SGIJDJSVSA-N 432.565 2.096 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1)c1cc[nH]n1 1630618533 XUOXQAMBDZIDPQ-UHFFFAOYSA-N 429.477 2.251 30 10 IEEE C=CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1633037873 JDZOUKHUZRBYTM-UHFFFAOYSA-N 430.486 2.392 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1634051450 QPLZJQAOIGAFKV-KRWDZBQOSA-N 436.940 2.470 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)/C=C\C(=O)c2ccc(C)cc2)cc1 1636072927 UVECOVJWJXNQKR-QXMHVHEDSA-N 429.494 2.138 30 10 IEEE CCn1c(O)nnc1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1639059310 BSKMNZIBJFGPSR-HNNXBMFYSA-N 442.907 2.288 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H](O)c2ccnn2C)nnc1-c1ccc(Cl)cc1 1639195432 CHQMOEXDAWTBNX-MRXNPFEDSA-N 432.937 2.460 30 10 IEEE Cn1ccnc1[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(C)(C)CO 1640112465 CFOLUHUOUWBPTK-IHSWXRNOSA-N 445.564 2.383 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(CCO)C[C@@H]2C)nnc1-c1ccc(Cl)cc1 1642574437 PPERYOFDRWLFRJ-HNNXBMFYSA-N 435.981 2.402 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1)c1cc[nH]n1 1646339579 MPYZVUVTDKXHNV-CYBMUJFWSA-N 434.880 2.377 30 10 IEEE C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCN(c2ccsc2C#N)CC1 1647745367 BEINEYJOLFKSDM-SJORKVTESA-N 426.542 2.429 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)s1 1648451883 WPLIITZCVQBSHO-CABCVRRESA-N 428.576 2.382 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CO)[C@@H](C)O)c1 1651071863 DMGNWCKNVDPDOW-AUUYWEPGSA-N 438.933 2.193 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)CC1 1665602759 HPRLWVOBIGGXAJ-UHFFFAOYSA-N 448.726 2.325 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc2c1OCCO2 1666117016 SVJMXRQJRROCBE-UHFFFAOYSA-N 436.530 2.481 30 10 IEEE C=CCN(C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC)[C@H]1CCS(=O)(=O)C1 1669855959 NBHNTRZZPMRKNP-ZDUSSCGKSA-N 429.926 2.257 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1683360151 RNGZUIHLEYAIFA-UHFFFAOYSA-N 449.573 2.074 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1689942859 FLEMZOSTOJYOMK-QZTJIDSGSA-N 437.610 2.128 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1csc(COC)n1 1689951013 JOIGGYLSIONEMX-UHFFFAOYSA-N 431.543 2.069 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(C)noc1C 1689972424 OQEAMWKGDKPNLT-UHFFFAOYSA-N 433.560 2.365 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(C2COC2)nn1 1690008806 PPEIYNIHKBZORY-UHFFFAOYSA-N 425.855 2.022 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCC(=O)N(C)C)CC1 1690122037 CNQMPKINEOHZRN-UHFFFAOYSA-N 447.543 2.224 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)NCCC)CC1 1690131915 AEPPWHQCKIAGGB-UHFFFAOYSA-N 438.576 2.145 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CC(F)(F)C2)CC1 1690132453 QTTZEMSVFWSZFT-UHFFFAOYSA-N 434.516 2.070 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(COC)CCC2)CC1 1690145949 BPEVTUFPJRPELY-IBGZPJMESA-N 429.565 2.302 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690155013 COTSRRCXAVOGBT-DLBZAZTESA-N 426.546 2.155 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NCC)CC1 1690304612 IJNFJBFKMIQQRX-UHFFFAOYSA-N 443.508 2.298 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690676073 OZWUFOONRGDVHN-AZUAARDMSA-N 425.533 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CCC2)C1 1690720435 JDFCBKYQWFVGSX-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1695179226 FQEOXMOVNDRNBY-UHFFFAOYSA-N 446.577 2.437 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1695534169 BBLQNKLJPZMLNH-IBGZPJMESA-N 440.504 2.413 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1705518205 MJNNSRRSEKIWIR-UHFFFAOYSA-N 431.487 2.246 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1705566378 NGFXIYCMXOPOPN-PKOBYXMFSA-N 449.621 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCCC2=O)c1 1705587783 IPZQHTYQMAMEHH-UHFFFAOYSA-N 432.528 2.054 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCSC2)CC1 1705642909 LYPYMXIJZKVVET-SFHVURJKSA-N 427.574 2.374 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705661991 MWFDOHUAXNGLOU-SJORKVTESA-N 432.619 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NC(C)=O)CC1 1705698118 PRSGUIJBXPCQMI-POAQFYNOSA-N 435.569 2.088 30 10 IEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705732261 UDHMGHIELOSKNL-OAQYLSRUSA-N 427.549 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)C[C@H]1CC 1705930604 QVDKYOSHPZBYGE-HZPDHXFCSA-N 432.550 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1705933504 JJHOOTYNNZFVSK-AWEZNQCLSA-N 439.900 2.067 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1705948355 QKTPWXUYPPCIRI-INIZCTEOSA-N 431.566 2.395 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC(C)(C)O1 1708235077 ZDCDNUHLMMJZIW-QGZVFWFLSA-N 429.521 2.131 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722364805 JIZHGCDTHBQFTC-GGPKGHCWSA-N 427.574 2.327 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1722417978 ZXZPFZHGTZYJLY-JKSBSHDWSA-N 435.569 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722434955 BYUSOTDZVSXASC-QGZVFWFLSA-N 447.992 2.179 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722457549 GEGMSZXRLGDHJR-AWEZNQCLSA-N 427.500 2.118 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722524011 GPGLGJDDYQHGKN-UHFFFAOYSA-N 430.459 2.244 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(N)=O)CCOCC2)CC1 1722560921 HJVIQSUNJMBVHN-UHFFFAOYSA-N 426.477 2.292 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1722606825 IIDWKGUBCXJAJT-GOSISDBHSA-N 447.605 2.472 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC)C1CC1 1722650527 CZZIHIRGMWGGRO-HXUWFJFHSA-N 445.589 2.377 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723078314 VERZXAVRHIIIFH-UHFFFAOYSA-N 446.515 2.037 30 10 IEEE CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723260688 TYCDVJYVEDSUFZ-APWZRJJASA-N 439.564 2.293 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1728199312 OCQDVPWOYUFGQB-UHFFFAOYSA-N 444.543 2.367 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1740531526 NVERVFBBGWZISC-DLBZAZTESA-N 444.967 2.040 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740532261 ZBVBNTWMJMUGFK-QGZVFWFLSA-N 432.532 2.218 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 1740592416 XILZRRQPYGBYAA-UHFFFAOYSA-N 430.553 2.132 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740719741 QXTQBMCNDNKGFZ-RDTXWAMCSA-N 431.512 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1740725585 NUAPUMHCJIDYGT-DNQXCXABSA-N 437.544 2.330 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1740732422 CLYBGXUZDIDUOP-VGOFRKELSA-N 428.558 2.304 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740793622 UXDWUABEVPPOKD-CABCVRRESA-N 431.459 2.370 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1740818342 HOXQJMXGWVSJQI-QFIPXVFZSA-N 442.951 2.496 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)CC1 1740884435 ATVMXSNNQMXXPG-UHFFFAOYSA-N 430.553 2.377 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740939807 IIKNYNJFLNAWHK-HNNXBMFYSA-N 427.475 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C)C1 1740955280 OSQCVQQUJHNXSV-MRXNPFEDSA-N 429.521 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CCCC2)C1 1740977807 YSAYROYKWLCPSL-QGZVFWFLSA-N 433.578 2.422 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCSC1(C)C 1741675738 KIVBKLWPNIGGKQ-WBVHZDCISA-N 431.610 2.125 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1743951041 GUMNPQMETZTCOG-OALUTQOASA-N 443.573 2.374 30 10 IEEE CCCN1CCC(N(C)c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1745701308 RXCGPORUTHVFNH-XDOYNYLZSA-N 441.580 2.383 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1746460162 HTDZFBFPHAHUIZ-PZJWPPBQSA-N 437.592 2.256 30 10 IEEE CCOCCC1(Cn2c(CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1747304165 GJTFNEUHVPLCJJ-UHFFFAOYSA-N 426.569 2.288 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1747731780 YYROXUKNCVAMLL-MOPGFXCFSA-N 429.546 2.115 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1748734303 AWLNLTRUKGZGES-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1748764778 VUNIFUCLIOUKAX-QZTJIDSGSA-N 443.552 2.346 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1748882606 YOZHOBGZBGPTOQ-FQEVSTJZSA-N 435.528 2.340 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2)n1 1748971181 GGPLMGVKTBODLV-OAQYLSRUSA-N 447.543 2.069 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1748978322 KDHUEJAWMROGSC-DOTOQJQBSA-N 447.381 2.342 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1748984178 HQNFMWRPPHOMLO-KOSHJBKYSA-N 439.560 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(CC)CC)CC1 1749009231 GWTGTFBVXRVYMZ-HXUWFJFHSA-N 430.597 2.217 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1749022739 LOPYPJCLVMBXLC-DLBZAZTESA-N 439.593 2.311 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1749387186 TTYBAJXSFWGFPS-SJORKVTESA-N 437.610 2.278 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749452168 QFQXZKXSEJQDGV-PZJWPPBQSA-N 426.565 2.480 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1749530240 VZPKLGWNARMEMP-OAQYLSRUSA-N 429.546 2.015 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1749669491 LKMMUKRXUMUQQD-RTWAWAEBSA-N 438.576 2.043 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(F)F)C1 1750419121 MMUJQHFNQPOCAS-AFOCRCJBSA-N 436.463 2.138 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1750516868 XUQMQZBZOVJYDR-GOSISDBHSA-N 447.561 2.167 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1751296610 LBSUAAYNAJVPCH-FBMGVBCBSA-N 427.534 2.131 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760151895 AFMOCFYDLSZFPD-QFIPXVFZSA-N 443.555 2.411 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Sc1ccccc1 1760194690 OIZWBJVDJRJHSM-DLBZAZTESA-N 431.587 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(F)c1 1760218259 BHPOMASEQZSQQL-ZWKOTPCHSA-N 444.532 2.250 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCOCC2)CC1 1760255746 HSEXLWBIQFFBLU-UHFFFAOYSA-N 433.915 2.034 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCOCC)CCC1 1760289257 NJGXEYAQCUGFOM-FXAWDEMLSA-N 437.610 2.477 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760440720 OYWRYNHZXCYAPS-CABCVRRESA-N 435.516 2.219 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1760453339 SWWZWVXNQXSVAQ-FQEVSTJZSA-N 427.549 2.279 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCN(C)C1 1760478584 MINCDRLWSIQJAJ-OFNKIYASSA-N 427.549 2.397 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(F)c(F)c2)nnc1[C@]1(OCC)CCOC1 1760527959 OGCCWBWROZXOSW-NRFANRHFSA-N 435.475 2.147 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760751176 VEYFGUUOUSILBI-QZQOTICOSA-N 444.580 2.382 30 10 IEEE CC(C)(CN1CCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1760812029 HFOVWPGHGQPAET-QFIPXVFZSA-N 440.527 2.489 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)CCOC 1761880437 CSCMXNXNPUFFKQ-HTAPYJJXSA-N 427.553 2.172 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1762022990 AHBFTMWNKAEWQE-AZUAARDMSA-N 438.580 2.453 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCS1 1763089016 CTWYJMCTHJSAHQ-WBVHZDCISA-N 446.602 2.040 30 10 IEEE CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1764134169 GYJRHVINJIVQLE-ICSRJNTNSA-N 425.537 2.395 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1 1767360318 OFHSATCNHNLWEL-MJGOQNOKSA-N 431.562 2.239 30 10 IEEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1769615865 FNPHEQJGZQWZAA-OAHLLOKOSA-N 436.438 2.358 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccccc3C)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1769878944 DOLMRMUYRGIHDU-VGOFRKELSA-N 426.496 2.190 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1770251735 XJLRYUXQVKTKDU-UHFFFAOYSA-N 435.488 2.006 30 10 IEEE COCCN(C)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1771078273 HGZJPBVVFTUXGZ-QGZVFWFLSA-N 449.353 2.015 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC2=O)cc1OC 1849700476 SKNWVIKSZRYEDO-GOSISDBHSA-N 434.496 2.277 30 10 IEEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)C1CCN(C(=O)C(F)(F)F)CC1 1851523024 PWYQFMIARCOCKI-UHFFFAOYSA-N 428.411 2.279 30 10 IEEE CC(C)CO[C@@H](CC(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F)C[N+](C)(C)C 1851938150 CYQNVRZXPNIBEX-AWEZNQCLSA-N 430.513 2.385 30 10 IEEE Cn1nc(-c2ccccn2)cc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852765768 MMFBLZVKBZQTBF-FQEVSTJZSA-N 447.495 2.290 30 10 IEEE N#Cc1cc(C(=O)N2C[C@H](CN3CC[C@H](Oc4ccc(Cl)cn4)C3)CC2=O)ccn1 1857229119 KFCWUFKBUHZGNV-KSSFIOAISA-N 425.876 2.144 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 1858422388 SURBYLKFJFRYDQ-SFHVURJKSA-N 442.516 2.057 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862563362 BMUOPNSPYSWJOI-GOSISDBHSA-N 426.429 2.023 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870002526 NZTLGJJSTKVIKR-KRWDZBQOSA-N 433.509 2.136 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc3nc[nH]c3c2)c([N+](=O)[O-])cc1OC 1870157516 WWDFKMYLIFKTSS-UHFFFAOYSA-N 434.372 2.193 30 10 IEEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689246 XHVISFVOCMJZHI-UHFFFAOYSA-N 436.516 2.073 30 10 IEEE C=CCNC(=O)[C@H](CC(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1873840949 JWNFGNGSRXJXKK-FQEVSTJZSA-N 435.590 2.229 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874279615 DJDLMQZGKGJHOY-HXJASHHUSA-N 432.506 2.267 30 10 IEEE CN(C)CC#CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1890890324 CJRHOWRJFLISLP-IBGZPJMESA-N 435.565 2.030 30 10 IEEE C[C@@H]1[C@@H](n2cnc(I)c2I)CC[C@]1(N)C#N 1984378909 CERGTJVIAVRCFL-FWWHASMVSA-N 442.042 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)F 2060633001 IMXVNKZODZHKLU-GFCCVEGCSA-N 442.272 2.263 30 10 IEEE CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060635749 OVCWHLPZXTUJMW-UHFFFAOYSA-N 435.334 2.106 30 10 IEEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@]3(C)[C@]2(C(=O)CO)O1 2070289362 OHJDQDXOWURJBR-OUMPWXHLSA-N 432.488 2.483 30 10 IEEE N#Cc1c[nH]cnc1=NC(=O)c1ccc(I)c(Br)c1 2130061157 ROEWRKDEVZGWNQ-UHFFFAOYSA-N 429.015 2.390 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666033 SPHQSWWJGNPLAE-JKSUJKDBSA-N 447.341 2.249 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccc(C#N)nc1 2195274195 QUPPRUTVZCBIIX-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247908364 SIMWYDXTVMRODD-BETUJISGSA-N 437.371 2.475 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2247962489 OCHHHXQYJJEAAJ-STQMWFEESA-N 440.293 2.035 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](F)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396803 FAAWHLUQDAXTFN-LBPRGKRZSA-N 443.350 2.311 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 2255542248 OWOUREAAJZTLBK-DLBZAZTESA-N 432.326 2.390 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618797 JYLFDFZMWUGYIY-KBPBESRZSA-N 434.346 2.227 30 10 IEEE Cn1nc(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255844186 SAMYPSUOAYKHQH-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256604074 AAYKJPIYFIUPKP-SJORKVTESA-N 436.358 2.394 30 10 IEEE Cc1ccnc(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267145139 BHIFQVIKCFTTHT-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2267155069 OIIKEVFJPBPBOG-ZDUSSCGKSA-N 448.373 2.013 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267172871 ZSNJUBFEKVKEOI-AWEZNQCLSA-N 446.357 2.103 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177073 IYSBCIGMXNXNQB-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2267267246 VNENOVVONZUZRR-HZPDHXFCSA-N 443.353 2.320 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2267274072 VIDQORHTGWOOBP-CRAIPNDOSA-N 445.369 2.406 30 10 IEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267487208 BTLBZKCXTAKZNH-MSOLQXFVSA-N 438.381 2.454 30 10 IEEE Cc1cc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267522284 WCRLHCSDPWKVCQ-CHWSQXEVSA-N 444.259 2.416 30 10 IEEE Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529610 NFVYHOMBHGSZRW-LJQANCHMSA-N 438.381 2.374 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267598877 HCXZFYKRZXBENE-HOTGVXAUSA-N 445.369 2.262 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CO1 2268654709 CPZWLWCWWLFXAG-LSDHHAIUSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)C#Cc2cccc(Br)c2)C1 2278745122 XVVVISIIOOMONL-INIZCTEOSA-N 442.331 2.404 30 10 IEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 2314457338 FOTCGEBNRNKXML-UHFFFAOYSA-N 446.554 2.232 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1O 2327876202 SZZXHOBSZFGCPC-CQSZACIVSA-N 431.518 2.245 30 10 IEEE CC(C)Oc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329013226 AXXWBTMJWKIOMH-MRXNPFEDSA-N 444.561 2.249 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc(OC)c1O 2331273338 BXLMHNKUNYTQGX-UHFFFAOYSA-N 448.530 2.251 30 10 IEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337198213 GUKREBNFTDRHSV-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1c(C(=O)N2CCCN(c3ncccc3C#N)CC2)nnn1-c1cccc([N+](=O)[O-])c1 108859472 NDCZDMKEAJCTBQ-UHFFFAOYSA-N 432.444 2.103 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1C1CC1 443550230 IQHHDMUFHOHJDF-UHFFFAOYSA-N 448.523 2.473 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)ccc1Cl 443731921 KSXWENDWMPHZDS-UHFFFAOYSA-N 440.355 2.183 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)NCCOc3ccc(C#N)cc3)CC2=O)cc1OC 460282525 RBLNYHKCAXRUFQ-LJQANCHMSA-N 437.496 2.162 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461285962 VASLRFIIYHXFDO-PEBXRYMYSA-N 435.488 2.214 30 10 IEEE COc1cc(C(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1OC(F)F 461745297 KFGKEKZWNCLLIL-UHFFFAOYSA-N 442.382 2.117 30 10 IEEE Cn1ccnc(N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)c1=O 465238371 PKJSBDXBXZADGL-UHFFFAOYSA-N 429.480 2.193 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CC(=O)OC)c2cccc(F)c2)cc1 476773733 YGFJHHHBXVDSNW-OAQYLSRUSA-N 434.489 2.498 30 10 IEEE Cc1onc(CC(=O)N[C@@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)c1C#N 476774660 GANXJCYWAGFZGP-XLIONFOSSA-N 438.484 2.197 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c(F)c1 479059791 UFFPTXWOLYZQPU-HXUWFJFHSA-N 439.466 2.469 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 482307969 JCJOCPSOEFCTIJ-MRXNPFEDSA-N 427.455 2.396 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)ccc1F 488921432 UFFADFIMLIZWCV-UHFFFAOYSA-N 443.909 2.046 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 502658671 NITMIVKUARKHHY-IAGOWNOFSA-N 437.363 2.079 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 504456541 SAHAVZULHDKYOJ-UHFFFAOYSA-N 433.505 2.320 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 509009929 GDBDWWIQYQZUEZ-VXKWHMMOSA-N 444.539 2.489 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 515923689 YTFDMDYXQLYSSK-SFHVURJKSA-N 442.541 2.345 30 10 IEEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516373031 CVLSYQIXANRAFA-UHFFFAOYSA-N 427.570 2.221 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1COc2ccccc21 533169425 MCXOYAYBWZMDJF-OXQOHEQNSA-N 440.525 2.139 30 10 IEEE Cc1ccc(Cl)c(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 542519096 JYJWDZLQOMYAMT-SFHVURJKSA-N 449.960 2.266 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 545476709 QYLYERIBYJWVKI-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 549677537 WEKMWFAJSRZIPW-KRWDZBQOSA-N 437.504 2.305 30 10 IEEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 555548524 DDGQEWMLDGHOKZ-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 566868274 YGKDTOPPERXGFC-XMMPIXPASA-N 447.543 2.358 30 10 IEEE Cc1ncc(S(=O)(=O)N2[C@@H](C(=O)O)CS[C@@H]2c2ccc(F)cc2F)cc1C#N 569418261 JSECSXSVAIQQBT-HZPDHXFCSA-N 425.438 2.429 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 593986230 DQXPVVSAMGLLBZ-OAHLLOKOSA-N 430.476 2.239 30 10 IEEE COc1cccc(N2CC[C@@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)c1 608826004 XFFHBGBCQPWEEZ-IBGZPJMESA-N 427.526 2.124 30 10 IEEE CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccn1 610531487 YSHGCNSOIRBGPG-UHFFFAOYSA-N 447.426 2.499 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3cnccc23)c1=O 679925253 YIOMEFGLHAQYIN-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 727399286 OFMLBIGWADCNQS-APWZRJJASA-N 427.526 2.494 30 10 IEEE C#CCN(C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)[C@@H]1CCS(=O)(=O)C1 729331263 AOLNHEUWEHCXOR-HXUWFJFHSA-N 437.521 2.484 30 10 IEEE C#CCN(C(=O)CCC(=O)c1cc(Br)ccc1OC)[C@@H]1CCS(=O)(=O)C1 729331570 QLBKMXVIWAFJME-CQSZACIVSA-N 442.331 2.070 30 10 IEEE Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706730 MZMOLXNIYKKBJQ-HXUWFJFHSA-N 431.496 2.385 30 10 IEEE C[C@H]1CCN(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccccc2S1 741340572 FKKXBINCAJDIFZ-PXKHIBQASA-N 429.498 2.364 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1F 752583299 IFLNVUYHETYYPS-LQZXRHCMSA-N 439.509 2.210 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1C[C@@H](C(=O)O)CO1 757501136 DZMZLFZRDSNYFV-IAGOWNOFSA-N 448.475 2.134 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)n(-c3cc(C)on3)c2C)c1=O 758066974 LUMBXBPFJQPWJT-UHFFFAOYSA-N 446.532 2.119 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c1 758227372 RPYYUUKEHLPECC-OEWBEZOBSA-N 435.550 2.055 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)C1=O 771584400 ZZZNANKNBBNVSV-XDHUDOTRSA-N 448.479 2.427 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 777760375 OCAOCFKMHDFQSP-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(N)cccc1I 780278688 UOPAWXTYANPMOQ-QFYYESIMSA-N 429.258 2.473 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)sc2nccn12 780432096 RDKSOMJKQZCWKK-UHFFFAOYSA-N 425.289 2.457 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 783454798 LBJIVVLLEZNIAD-UHFFFAOYSA-N 442.479 2.366 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)n1 788658542 AYKJFCOEWKOXTD-KRWDZBQOSA-N 426.443 2.328 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790870018 SWQIPEXAHVZZBX-GWCFXTLKSA-N 449.476 2.330 30 10 IEEE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 797939263 UGKPOYFHPVMJLA-IBGZPJMESA-N 429.498 2.455 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)OCc3ccccc3)n2Cc2ccccc2)CCO1 802220823 VSNRQCIHSUBIOI-FQEVSTJZSA-N 432.484 2.482 30 10 IEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)S(C)(=O)=O 802600451 OJNVHGXZHRCSFR-UHFFFAOYSA-N 444.561 2.028 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1 803465553 DWAFRUIAHZCOMY-BBDSCREZSA-N 441.528 2.256 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 803573036 BDCPOPNEPYNPIV-HNENSFHCSA-N 436.440 2.245 30 10 IEEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 812090007 FFMGXPIBWWPJER-QGZVFWFLSA-N 434.541 2.363 30 10 IEEE COC(=O)[C@@H]1[C@H]2CN(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCCCN4C)c3)C[C@H]21 814618555 CZBZRRPRLZGUGZ-RMTAKTCRSA-N 448.545 2.162 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1nccs1)C(F)(F)F 818309635 BPIQRWNNHMWWPQ-CYBMUJFWSA-N 432.449 2.382 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccc(F)cc3)n2N)c1 1084160934 OONXHYDWGGZMRD-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(NC(=O)C3CC3)cc2)s1 1141236348 ILDPSUQRDBGOKW-UHFFFAOYSA-N 433.555 2.420 30 10 IEEE N#C[C@]1(C(=O)NC[C@H](O)COc2ccc(I)cc2)C[C@H]2CC[C@H]1C2 1150174558 BKMFWQIVWAXLSE-BWQRHGBYSA-N 440.281 2.477 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(N3CCCNC3=O)cc2)[C@H](C#N)C1 1233851379 GVSBQBYKFJXJAD-SJLPKXTDSA-N 442.520 2.165 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286353850 BAYLGTOPZJINIP-QGZVFWFLSA-N 443.621 2.084 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286358821 QFOJYIJNOHRPOD-IPMKNSEASA-N 432.590 2.237 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286371279 KOSFWFWKMFZJBU-IRXDYDNUSA-N 425.487 2.500 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1286380877 FACYWFRHKPLQJD-SFHVURJKSA-N 442.541 2.481 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286472751 FJEKRBYZUGQYIF-KRWDZBQOSA-N 447.992 2.179 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286666558 JXBYHNKSTVZEGJ-OAHLLOKOSA-N 432.550 2.151 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(CC)c1 1286767782 FXGMZRCOXVPYHE-UHFFFAOYSA-N 434.504 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)CC 1286778722 DXGLHWNVWLABBZ-HNNXBMFYSA-N 447.609 2.331 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1286790737 WFSFCVVRYQROQG-UHFFFAOYSA-N 443.502 2.040 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1287044010 FNZKIOINESOFIJ-IRXDYDNUSA-N 438.488 2.236 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1288688499 FHCQWZYJARDVLS-KRWDZBQOSA-N 430.578 2.029 30 10 IEEE C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 1291186194 BFTMGQAXDDZIBE-ZHSNQQFMSA-N 443.596 2.247 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(SC)c1 1292133179 GGJAVHYIFOMNKK-MRXNPFEDSA-N 429.550 2.090 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300497684 CDTMQFGFBWZNQW-FPOVZHCZSA-N 442.585 2.231 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300499571 VEFOSCZVFJSTEO-GCJKJVERSA-N 448.564 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1300591486 RCUVVINUIKNNEQ-UHFFFAOYSA-N 447.543 2.005 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1300700463 QIPQOESXHAYRTL-MOPGFXCFSA-N 428.606 2.292 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300742589 ONKKUSQHXPYBEI-UHFFFAOYSA-N 447.630 2.346 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(N)=O)C1 1300743007 DRFYCBZRVKUWJJ-QGZVFWFLSA-N 435.557 2.403 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301248628 HTXSTCSVXZQNHU-UHFFFAOYSA-N 446.577 2.266 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301429362 ZMDTWFQVGFDJKQ-FQEVSTJZSA-N 430.896 2.078 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1301497897 GRIGHGZEMBPTGN-DLBZAZTESA-N 430.553 2.197 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1301499721 DUSDXDITWMWTIW-SJLPKXTDSA-N 431.924 2.316 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1301508162 FOHFAUTYNBOWTH-UHFFFAOYSA-N 449.559 2.005 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1301853600 MZDXHKYNTPHDIX-QGZVFWFLSA-N 432.475 2.451 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1305327955 NYJKYAMFDCYRSB-HXOBKFHXSA-N 449.563 2.069 30 10 IEEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1313696230 FISKPQIZIJMREB-DEOSSOPVSA-N 437.592 2.194 30 10 IEEE COCC[C@@](C)(O)Cn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315979928 ZQDOMFYDHAABPO-HSZRJFAPSA-N 440.548 2.333 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)F 1316536108 CBPMBSLYTKLMIS-UHFFFAOYSA-N 432.431 2.185 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1C[C@@H]3CCC[C@H](C1)C3O)CCCC2 1319416538 HQUZGOOIGPPTSM-HSLKMIJLSA-N 426.561 2.449 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1322676316 SGYWEQDUCHCHER-SJPCQFCGSA-N 430.578 2.330 30 10 IEEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1352389192 ZNNHELHUGZSHMN-UHFFFAOYSA-N 437.544 2.465 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358924311 SBAWUIKXEVYAOF-QGZVFWFLSA-N 426.908 2.485 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nnnn1CC1CC1 1358942527 YLHRKTVDOAKCPV-UHFFFAOYSA-N 427.310 2.222 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1358962617 TWNNKSHNCPGAET-SFHVURJKSA-N 432.521 2.368 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358963161 CUXWHBHPFRJUHA-OAQYLSRUSA-N 443.617 2.357 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(F)(F)F)C1 1359062670 PELHLJYKGNBGAP-KKUMJFAQSA-N 434.484 2.136 30 10 IEEE C=CCn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OC(C)C)CCOC1 1359290376 YKRZOHPOURTOEH-KKSFZXQISA-N 449.577 2.350 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N)N(C)C(=O)OC(C)(C)C 1359476511 GINWRFYJKVFBGJ-HOTGVXAUSA-N 433.557 2.252 30 10 IEEE CCCCCCCCc1nnc(NC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)s1 1442062149 VTRAXKWXEVLVGY-BRWVUGGUSA-N 434.566 2.304 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1443765479 VOQCIGMQVFPFKI-OAHLLOKOSA-N 437.990 2.295 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)cc21 1445859379 BASMULOLEKLBOO-UHFFFAOYSA-N 429.484 2.495 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3OC)C2)s1 1446066192 BNIQEFXVJRMMSQ-OAHLLOKOSA-N 435.571 2.159 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CCN3C(=O)OC(C)(C)C)c1 1451700533 NEOVDHOQFRALCG-UHFFFAOYSA-N 447.557 2.214 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)C1 1455701345 COTCURXOTZIWGS-MAUKXSAKSA-N 448.361 2.131 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC(O)C1 1463798041 UHIYSNXVJNUYEK-KPRXVCGWSA-N 428.533 2.061 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 1463883852 GKGMTMZWLUBQEF-LJQANCHMSA-N 444.532 2.203 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)CC1 1465278308 FIMAMRWDHPENEF-QUCCMNQESA-N 447.601 2.333 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@H]2C)c1 1504115122 BCKXOWGVIFAFFU-DLBZAZTESA-N 428.537 2.279 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)CC1 1505320089 SDTNOCHWFUYFAP-UHFFFAOYSA-N 444.517 2.418 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(CS(C)(=O)=O)CC1 1507524114 SKWLVEUIAOEOGP-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1507572380 HWHJRHSFUZMAGK-UHFFFAOYSA-N 426.521 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2CC)CC1 1507737537 BECQRNNKNRIPMI-UHFFFAOYSA-N 431.544 2.255 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1508033895 QGASZXMAYTYDCE-SFHVURJKSA-N 444.561 2.213 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCC2)C1 1508128924 ZMBBHLWKOMFXGP-ZWKOTPCHSA-N 438.594 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1508132216 WBSUJQWMJIZZLF-GOSISDBHSA-N 445.589 2.492 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1508213162 BWXNSAKTUGKKSG-UHFFFAOYSA-N 449.559 2.278 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1509952756 JOBZULZOSLNWJE-ZJUUUORDSA-N 444.849 2.422 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)(C#N)CC1 1516811877 ZICDKLDPWGEQDJ-UHFFFAOYSA-N 432.506 2.418 30 10 IEEE CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C#N)o1 1517568195 DXHHSHFFWLNCIY-UHFFFAOYSA-N 435.488 2.233 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2=O)cc1Cl 1533681312 FAOOCOCFUZRCHV-IRXDYDNUSA-N 428.920 2.472 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539026334 UISUHOQVEUITIA-RLLQIKCJSA-N 427.597 2.485 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC(F)F)c1 1539145161 GQYOLWCAUGXTCU-UHFFFAOYSA-N 433.459 2.436 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539154229 NEQYMLLISDIXBH-HTAPYJJXSA-N 433.553 2.399 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539221535 PMVONBMBBZGAPK-LEWJYISDSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNS(=O)(=O)CC 1539250681 RNIJMERQEPLPPK-UHFFFAOYSA-N 437.928 2.140 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1539370618 XZQRBMOXDQVYFP-INIZCTEOSA-N 430.530 2.195 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC1(S(C)(=O)=O)CC1 1539392059 KXKWOILYERZWQB-GOSISDBHSA-N 432.521 2.486 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1539496933 CUZRTBZXEJMOEJ-QGZVFWFLSA-N 441.557 2.140 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539973691 BTJZEFNPNYIFOP-HNNXBMFYSA-N 430.534 2.267 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCN1CCCS1(=O)=O 1540121862 OBMOFXHNXWSYQM-UHFFFAOYSA-N 426.546 2.255 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(Br)ccc2C1 1540871883 WIPAYBMRUSKPNZ-MRXNPFEDSA-N 446.349 2.409 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(=O)NCC)C1 1540895759 ZCHGQPWXMFVNPD-SFHVURJKSA-N 429.569 2.083 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540918145 KOZQCAUIEBTDFS-QUCCMNQESA-N 428.606 2.340 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2C#N)C1 1540918756 UNUBDDFTVCDAGB-NILFDRSVSA-N 428.514 2.027 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1541104573 AJZKYEVVLCDOLG-NWDGAFQWSA-N 430.987 2.442 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1544404253 QORBHUNCTWBIGL-FPOVZHCZSA-N 448.479 2.372 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1547731975 XJSGBKIPVPQGKP-QFIPXVFZSA-N 426.544 2.200 30 10 IEEE CCO[C@@H](CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1547843068 FVQCARBYXJWLQF-RDJZCZTQSA-N 430.509 2.186 30 10 IEEE COCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1555444590 ZWBQIBJGLGIDJI-XMSQKQJNSA-N 433.553 2.254 30 10 IEEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N(CCC#N)CC2CC2)C1 1555809138 ORLACSMACRZLAA-GOSISDBHSA-N 448.618 2.342 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)C1=O 1556383233 KAQRIEYRECKBDX-QGZVFWFLSA-N 427.505 2.218 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)c2ncccc2C1 1558061966 IICGUFZUEMUFPE-GOSISDBHSA-N 441.557 2.158 30 10 IEEE Cc1c(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)sc2ccc(C#N)cc12 1561760553 CRGUFWFQACCWES-HUUCEWRRSA-N 427.573 2.220 30 10 IEEE C#CC[C@H]1CCCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1570661965 NJNYSSDOYZXDDS-SFHVURJKSA-N 428.558 2.331 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCNC2=O)c1 1588147891 UXSFIIODCYOKJW-SFHVURJKSA-N 433.917 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(O)cc2)CC1 1588913791 QPIGJVGUSZDVEU-UHFFFAOYSA-N 432.528 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@@H]2C[C@H]2C(C)C)CC1 1588968029 FNHQAELZCHEEEQ-HAGHYFMRSA-N 429.565 2.185 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1589381449 CPDOVTSDSNGQOY-UHFFFAOYSA-N 437.298 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCCC2)C1 1595496723 FJHZBDJYDQTSEA-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C)C1 1595689140 SABGLLUIVBINCE-AEFFLSMTSA-N 433.578 2.080 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(CC#N)CC1 1595811984 JFAQAFZNBHQSRK-UHFFFAOYSA-N 434.591 2.365 30 10 IEEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)s1 1612524699 FLYDQUHSIBZIGR-MRXNPFEDSA-N 443.558 2.038 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1613529465 HFEIYGGEMLOBPZ-WAIKUNEKSA-N 440.548 2.244 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)s1 1616429935 XMBKGHGJXLWOEJ-CQSZACIVSA-N 441.525 2.428 30 10 IEEE C=CC[S@@](=O)(=NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)c1ccccc1 1616818704 ZSCYOJBGJQLJFN-NDEPHWFRSA-N 434.539 2.402 30 10 IEEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CN(Cc2ccccc2)CCO1 1618337101 WWFSBELWZISZTK-IIBYNOLFSA-N 445.516 2.142 30 10 IEEE CO[C@H]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619483217 FOXMBXDXEUXXMB-HKUYNNGSSA-N 426.569 2.457 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1619614964 SXYGCKBFRMZXMI-VQTJNVASSA-N 428.512 2.102 30 10 IEEE C=C(Cl)C[C@@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OCC 1621479045 RNMBLSBLQQBMHH-GFCCVEGCSA-N 425.732 2.260 30 10 IEEE C=CCC[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1623528088 QXTLGBABLHWMDF-IBGZPJMESA-N 436.555 2.192 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 1626978444 QCELKKBQRUPOOV-INIZCTEOSA-N 449.598 2.469 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1 1626994243 FFYZURUQUUVEMD-UHFFFAOYSA-N 432.571 2.464 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCCN1C(=O)OC(C)(C)C 1627345745 CIJWGLGWAUNMCJ-QHCPKHFHSA-N 443.548 2.175 30 10 IEEE COc1ccc(-c2nc(CCNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)co2)cc1 1627480808 ZYFCKKCKSFOMGT-UHFFFAOYSA-N 439.493 2.496 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 1627997069 BSDXQULDDTUUHA-PKOBYXMFSA-N 434.606 2.329 30 10 IEEE Nc1ncnc2c1ncn2C[C@@H]1CC[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)O1 1629607627 XPXPAXYUERCZHM-JKSUJKDBSA-N 444.417 2.143 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)c1 1630351126 FFKOKZDTVZNOEV-LTXLMFNASA-N 426.498 2.313 30 10 IEEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NC3(C#N)CCSCC3)cnn2c1 1630711790 WNLIRDQCHIXQTI-UHFFFAOYSA-N 430.534 2.316 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1632328430 GJHXWVYXNVYULC-RSQQPWMTSA-N 441.507 2.093 30 10 IEEE COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(CCC#N)CC2)c1 1632348513 AUMVNBYBLBYDEA-UHFFFAOYSA-N 442.541 2.476 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(Cn3cncn3)CC2)C1 1633520915 BXWVNCFBPCUPHV-UHFFFAOYSA-N 429.322 2.287 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1 1636270228 AOTYOWFFZZFICV-INIZCTEOSA-N 430.468 2.384 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2ccccc2OC)CC1)c1cc[nH]n1 1636398626 DSEGMXWFKSQLIA-MRXNPFEDSA-N 428.489 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3ccc(C(=O)NCCO)cc3)C2)C1 1637723183 CEPAXXORYPZIQK-WCCYLALTSA-N 442.516 2.134 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 1639146423 KDOCTZXWGQRBQP-MTNREXPMSA-N 441.553 2.210 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)CC1 1639425959 TUVYHYMGNRRZTF-INIZCTEOSA-N 428.533 2.401 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)cc1 1640997780 MPNUVZGVQCZXPO-UHFFFAOYSA-N 447.557 2.212 30 10 IEEE C[C@@](NCC#CCN1C(=O)c2ccccc2C1=O)(C(N)=O)c1cccc(C(F)(F)F)c1 1642120829 VWDULXYYFQVNPV-NRFANRHFSA-N 429.398 2.295 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1644563649 MSUJGPILFIEXLO-CYBMUJFWSA-N 437.990 2.389 30 10 IEEE Cc1cc(C#N)cnc1C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1644966076 FUVSBWNHWVHHGX-MRXNPFEDSA-N 428.489 2.324 30 10 IEEE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649036017 UFZJCDDQIMVTSX-OAQYLSRUSA-N 435.480 2.427 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@](C)(CC(=O)OC)c3cccnc3)ccc2c1=O 1649156768 QXEMGIBXWIMLMA-JOCHJYFZSA-N 438.509 2.475 30 10 IEEE COc1cc(CNC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)cc(OC)c1OC 1655102393 ZZORCWTYRWHTNP-UHFFFAOYSA-N 439.512 2.496 30 10 IEEE C#CCN(Cc1nc(Br)c(Br)n1CC)[C@@H]1CCS(=O)(=O)C1 1663860622 YOKZQCKYHXMKRI-SNVBAGLBSA-N 439.173 2.050 30 10 IEEE CN(C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)c(C#N)c1 1666852271 AIERYJJSUHPFKK-UHFFFAOYSA-N 446.367 2.215 30 10 IEEE CCOC(=O)c1c(NC(=O)NCC2(C(=O)OCC)CCCC2)c(C#N)cn1CCOC 1670537109 APDUQMSGMDWZMW-UHFFFAOYSA-N 434.493 2.428 30 10 IEEE C#Cc1ccc(CNC(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)cc1 1683824929 DZQHNNQBRQIIGY-UHFFFAOYSA-N 448.567 2.253 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 1683946585 RPFCSYKVJVRAGQ-UHFFFAOYSA-N 449.533 2.393 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1684175551 OKFLXEFKVHTWAG-QFIPXVFZSA-N 435.528 2.135 30 10 IEEE COc1ccc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1C#N 1684862292 UYLCWRSHYOFNRD-WMLDXEAASA-N 431.436 2.218 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1689926057 HJQGTOKCXZNIMO-WMZHIEFXSA-N 449.603 2.441 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1689947640 JTPKHHTUPKWAFZ-RLBWVDARSA-N 438.463 2.153 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCCO2 1690003671 UOKCOADBCBPHNI-DEOSSOPVSA-N 436.512 2.213 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@@H](C)C1 1690006037 HQCYJOUNIMCAEO-LJQANCHMSA-N 439.585 2.153 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690310047 RNBJVMOHKGCFSG-MSOLQXFVSA-N 446.596 2.201 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690312879 FVDMZWQBPXWQIZ-WMZHIEFXSA-N 441.532 2.346 30 10 IEEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1690529469 QIBGIFPDBVDFMZ-CQSZACIVSA-N 425.505 2.193 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1690596906 DDNKOWOKYHMTIN-SFHVURJKSA-N 444.557 2.373 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCO[C@@H]1C 1690624145 HPUXQBNLIKGPOS-WZONZLPQSA-N 425.533 2.460 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690724559 RPTKIDWCXHOYSQ-QZTJIDSGSA-N 438.594 2.252 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693940845 GRSXBLRPFKFOQS-GWJPWWOOSA-N 439.564 2.172 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1695701322 CABAHYIXHLZCPZ-LPHOPBHVSA-N 425.493 2.275 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN(C)CC(F)(F)F 1698245411 FVMIJKNGEPAELS-RLFYNMQTSA-N 448.465 2.328 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1705714255 KQDKNSUNLYJTJG-UHFFFAOYSA-N 443.577 2.425 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705757876 AYPLCANNVRVPRR-UHFFFAOYSA-N 444.971 2.393 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705830716 WBIPFUUZHJBGMR-UTKZUKDTSA-N 441.532 2.440 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](OCc2ccccc2)C1 1705905968 MWSLLJNQSZHNJL-NRFANRHFSA-N 432.528 2.362 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1705907171 CMNYJTDCLQEJAJ-QGZVFWFLSA-N 427.549 2.378 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1706076154 YLOQZHHPOCQZPH-ZGRYLRDCSA-N 438.598 2.204 30 10 IEEE Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)cs1 1707746213 VXBMWZMHXFACOL-QFIPXVFZSA-N 437.573 2.209 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1712392579 XINAFCYMTLNNMK-UHFFFAOYSA-N 448.531 2.287 30 10 IEEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712618013 QZVLJVWORYYVJG-UHFFFAOYSA-N 439.495 2.274 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1722297393 ZSVAACTYWNDALP-JBACZVJFSA-N 441.601 2.475 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722334434 XKWPYZJVAZVRFF-AZUAARDMSA-N 449.621 2.416 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722370211 APJXAAKPZLSKBR-VQTJNVASSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722374307 WYZQDCCPCOLFLN-SOUVJXGZSA-N 431.484 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCS(=O)(=O)C1 1722380708 VVCPACPRCSUMQK-QGZVFWFLSA-N 435.509 2.108 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1C 1722396857 LQTUJZQMTZAOHN-WOJBJXKFSA-N 440.569 2.419 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)CC 1722407355 IORKAVGCMPHOSI-UHFFFAOYSA-N 425.942 2.006 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1722453716 ABDUBCRTLPTCDI-FQEVSTJZSA-N 438.557 2.422 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)C)CC1 1722458183 FMELCLQVHTXYGH-UHFFFAOYSA-N 430.578 2.293 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722535286 DLBUUXIVFJDIJE-HSZRJFAPSA-N 425.533 2.475 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1722634082 KKHMMJPDDXYOSQ-UHFFFAOYSA-N 426.565 2.365 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722635072 YAZHBSNSFYFRDZ-OAHLLOKOSA-N 439.524 2.456 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722863508 KMCTUARAQFBGTI-VBQJREDUSA-N 443.483 2.141 30 10 IEEE CC(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1723240794 SCXMDHMAQRGLMK-FMVUODCNSA-N 446.577 2.234 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1729706465 BRGIHAUYNIVCMS-MRXNPFEDSA-N 449.481 2.273 30 10 IEEE COc1cccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1730234683 WSYZRLGYAMCWNG-CZIZESTLSA-N 440.529 2.033 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1731090710 DCEFZDLMNQOBIA-LJQANCHMSA-N 440.573 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1cc[nH]n1 1740545657 OPJXTQZMUVTJPA-ZDUSSCGKSA-N 442.321 2.319 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)CNC(=O)C2 1740577428 DCSQMKZFISILCN-UHFFFAOYSA-N 440.573 2.180 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C 1740612867 LDPWIBQFUCWOQY-VXKWHMMOSA-N 436.604 2.385 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccn(CC)c1=O 1740634712 HMAJQNKRJVDTGY-UHFFFAOYSA-N 431.496 2.265 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1 1740751017 XCTMONMXXUFPNI-LEWJYISDSA-N 439.560 2.494 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740863556 AQOWLKHMIZPZEH-ROUUACIJSA-N 437.610 2.230 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740981622 WNYAYSCXWBDCBC-RWNPKEDZSA-N 426.521 2.243 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1747547214 BICOEGQZNCCMNC-RDJZCZTQSA-N 448.369 2.115 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCCCC2)CC1 1748732242 WTLBSTMOGCASBG-GOSISDBHSA-N 436.626 2.004 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748753320 FAIBLRSZJNAPCD-UHFFFAOYSA-N 440.935 2.456 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1748757585 HJAOVSCIXHIVCM-UHFFFAOYSA-N 436.564 2.054 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC[S@](=O)CC)CC1 1748978229 IOTWSVHCKNAUKV-WJOKGBTCSA-N 436.585 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2oc(CC)nc2C)CC1 1749017103 WGSCIRHJMPTPNR-UHFFFAOYSA-N 447.543 2.137 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)nn(C)c2OC)CC1 1749323528 PQEVDPWSJUOMIF-UHFFFAOYSA-N 427.553 2.269 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)C1 1750550085 FEBMZRRROJQNAL-LJQANCHMSA-N 432.532 2.340 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1760096216 HQBLVGJDUXZBMN-RHSMWYFYSA-N 442.951 2.234 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760138411 XYBFWVKMIYEBLG-QZTJIDSGSA-N 427.553 2.414 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC(=O)N1CCOCC1 1760240850 FUYIRPQCCNLAEN-UHFFFAOYSA-N 437.475 2.484 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760356402 MPNGIEFVRPILOK-SJORKVTESA-N 445.593 2.162 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760441975 BAQKPKREPLGEKM-NRFANRHFSA-N 438.576 2.222 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1760449786 VBXOJHNRFDVAMT-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760566059 KDQSRWGHXWQYNL-IRXDYDNUSA-N 449.602 2.152 30 10 IEEE CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764100507 FZMNWCBUASSEAA-UHFFFAOYSA-N 441.584 2.237 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1767012820 FRJLOJABTPQWBX-WJOKGBTCSA-N 442.589 2.469 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1770801518 FGDPWOYABBGJGV-AEFFLSMTSA-N 440.483 2.183 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1771289188 OHDRJPFTWWOJIY-ACRUOGEOSA-N 446.596 2.099 30 10 IEEE COc1cccc(-c2cc3c(N4CCC(C(=O)N5CCO[C@@H](C#N)C5)CC4)nccn3n2)c1 1848554501 WPBUDEQUZOITEK-FQEVSTJZSA-N 446.511 2.372 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1 1852372672 DLKTXVKDUNMWOO-MRXNPFEDSA-N 439.541 2.430 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H]3CCCc4ccccc43)C(=O)O2)CC1 1856722164 QJZRXODPKCEDJG-RBUKOAKNSA-N 431.514 2.019 30 10 IEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3cccnc3)cc2)c1 1859002620 HXGVCJDKUAWWIN-UHFFFAOYSA-N 449.492 2.436 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCO)cc(OC)c1O 1862420755 ACKOMDOFXOZTAO-QGZVFWFLSA-N 435.379 2.258 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc(F)c(F)c2)CC1 1866867084 MMSTWSRNSVJDRA-MSOLQXFVSA-N 448.495 2.419 30 10 IEEE Cc1nc(NC(=O)C#C[C@H](C)NC(=O)OC(C)(C)C)ncc1I 1902017649 UDBCCYLJSHRUDP-VIFPVBQESA-N 430.246 2.245 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 1962795154 JVOHECWQSBRFHK-GFCCVEGCSA-N 434.278 2.073 30 10 IEEE CC[C@H](C#N)C(=O)Nc1c(I)ncnc1I 1983727708 XWGIRPVEFDZTNV-RXMQYKEDSA-N 441.998 2.174 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCO1 2010508700 ZWJBIPGUOGHDQB-WMZHIEFXSA-N 428.533 2.297 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2011680698 FCZGFEQNURQDSA-JOCHJYFZSA-N 439.553 2.336 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCc2cccc(C#N)c21 2189925752 GRMVOWJZSIFUEC-OAQYLSRUSA-N 427.457 2.275 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243417087 LOLQLUQQVCWDKJ-NEPJUHHUSA-N 425.360 2.474 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2255654957 GIOMDMKOJHCCFV-NKRRBHNESA-N 438.330 2.184 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255656351 ZMSDDTFNYLGAPK-WCQYABFASA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255671927 YNJVQQBBLPVOPB-KGLIPLIRSA-N 434.346 2.131 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CC[C@@H]3OCc3ccccc3)c2)OC1(C)C 2255745653 PAYLVXAPVOPOBF-UXHICEINSA-N 444.362 2.407 30 10 IEEE CC1(C)OB(c2ccccc2CS(=O)(=O)NCCNOCc2ccccc2)OC1(C)C 2255772239 BWGQCODVVLNJGM-UHFFFAOYSA-N 446.378 2.127 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C2(CCOCC2)C1 2255872015 QTXKKMHXTTWMBZ-INIZCTEOSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2267495702 PBZDQZBQBMKRJY-XMHCIUCPSA-N 447.316 2.259 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267513287 VDHIBZVARQAXKP-DZKIICNBSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267808994 GEOUAJUAKYSLTF-DOMZBBRYSA-N 448.325 2.040 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267808996 GEOUAJUAKYSLTF-SWLSCSKDSA-N 448.325 2.040 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268631686 BFNFBADLMRRZRU-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269075409 MPEZCCUHOKACOE-BEFAXECRSA-N 440.305 2.169 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271374591 HDXVUQDRQNQYAH-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE CS[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282319648 XCGRSPCDVKJCLP-WDEREUQCSA-N 439.817 2.109 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NC3(C(F)F)COC3)cc2Cl)OC1(C)C 2282840912 KLSYVCGDXKJQGL-UHFFFAOYSA-N 429.703 2.013 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c1C 2296933637 YQOVAADMBMHUGR-LJQANCHMSA-N 440.500 2.187 30 10 IEEE CCCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)c(O)c(OC)c1 2331644369 BFXWAEZDVUTKFK-UHFFFAOYSA-N 428.312 2.167 30 10 IEEE COc1ccc(OC)c(NC(=O)c2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)c1 9529998 GPBSAGOWTROENY-SJLPKXTDSA-N 447.538 2.446 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)Nc1ccccc1OC 18759956 NMMGAFWAMGISDJ-DEOSSOPVSA-N 449.463 2.342 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)cc1OC 20906313 XQPPKSWUFUOZPI-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc1O 21316517 VWIDDSWHCHQQON-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE COc1cc(C(=O)c2c(C)c(C#N)c(=O)n(C[C@H]3CCCO3)c2O)cc(OC)c1OC 38618647 LCLSYJPSGODCRL-CQSZACIVSA-N 428.441 2.170 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(N3CCc4ccccc43)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 101422860 DQZXRODKJFWRBM-BEFAXECRSA-N 441.447 2.459 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc(F)c2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103123979 RHDCMFAMVLFTLG-VZCCSQPZSA-N 430.388 2.165 30 10 IEEE N#CCCn1cc(/C=C\C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c2ccccc21 209952804 MSBNDDSOAMZJRT-KHPPLWFESA-N 429.480 2.100 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)c(C)c1 238959036 YGOSGCUWKJTTEH-JCNLHEQBSA-N 429.502 2.284 30 10 IEEE CCn1c(NN=Cc2ccc(OCc3ccccc3)cc2)nc2c1c(=O)n(C)c(=O)n2C 254439690 XEDXHUWLZAYPHS-UHFFFAOYSA-N 432.484 2.479 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CCO)[C@@H](C)C2)n(Cc2ccc(F)cc2)c1C 426486887 RKOAIEKLAOBXIW-INIZCTEOSA-N 427.524 2.101 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 438596616 FDBLVPPZGWDFJA-UHFFFAOYSA-N 438.509 2.246 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@](C)(CC(=O)OC)c2cccc(F)c2)c1 474366742 CMGARSZPWGGRTN-NRFANRHFSA-N 434.489 2.498 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccccc1C 482551058 COQVSZNJMSNPDC-UHFFFAOYSA-N 434.546 2.170 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 482604527 ORVXMAYHGZYWLG-UHFFFAOYSA-N 438.553 2.439 30 10 IEEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c2C1 487328974 AUTSSMSBTVTTCL-SUMWQHHRSA-N 430.306 2.339 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 508506511 SHEIFOBAJDHROR-WIYYLYMNSA-N 445.928 2.215 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 533353076 JSGRRRUCWCALDH-INIZCTEOSA-N 442.541 2.431 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Cn2ccnc2C#N)c1 540001358 YEDQMOBOLKJYMM-UHFFFAOYSA-N 444.561 2.414 30 10 IEEE CC(C)NC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 543891650 HRVGSHIYADXWPQ-UHFFFAOYSA-N 429.912 2.071 30 10 IEEE CCO[C@H]1C[C@](NS(=O)(=O)c2cccc(Br)c2C#N)(C(=O)OC)C1(C)C 553866775 PNYBFOFLVJWQPK-YOEHRIQHSA-N 445.335 2.346 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)CC1 578364135 HUJXPRVTEAWQRF-LJQANCHMSA-N 441.576 2.461 30 10 IEEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccncc3)c2=O)c1 588155688 DTAFUGNRNJLPJJ-UHFFFAOYSA-N 447.516 2.183 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 595111048 QQWLEUKZTRZARP-GOSISDBHSA-N 435.480 2.009 30 10 IEEE COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 609464765 RQRMEJGRKDQWRH-UHFFFAOYSA-N 442.522 2.465 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CSc1ccc(C#N)cc1 728517031 FTLJYHHVKLAUTJ-UHFFFAOYSA-N 432.546 2.188 30 10 IEEE C#CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 729332160 URZVJWVNSGIOBW-LBPRGKRZSA-N 436.433 2.355 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729671718 WKTASZAPDNVDKC-UHFFFAOYSA-N 432.480 2.493 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)/C=C\c1cc2cnn(C(C)C)c2[nH]c1=O 734291538 TYNZLAPHWVNMHC-SREVYHEPSA-N 425.470 2.004 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(CSC3CCOCC3)c2)CCN1C1CC1 734954985 NMVPRXIGHVTVGU-IBGZPJMESA-N 428.558 2.236 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 744940208 BNFNDTGYYZAKGH-NQYYFHDYSA-N 427.501 2.403 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 747841614 SLAKHCIXCLIAME-HNNXBMFYSA-N 431.482 2.027 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)s1 752195011 TTYNGHHLZNTAIH-UHFFFAOYSA-N 438.578 2.005 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 757595775 UGQDVKSJIUQSHY-HOTGVXAUSA-N 428.489 2.067 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2Cl)C1 760303110 ZBZMISYVOSJBEF-IUODEOHRSA-N 437.953 2.211 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCF)cc1F 767734885 PMGYJOKETYGXSD-MRXNPFEDSA-N 428.505 2.193 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CCC#N)Cc2cccnc2)C1=O 771345749 RDPGRKYPERLSTD-QHCPKHFHSA-N 435.484 2.108 30 10 IEEE C#CCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 774184209 BDOWUGBNPUPCAS-ZFWWWQNUSA-N 427.320 2.105 30 10 IEEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 774260107 ZGTXBWXJORVMOT-INIZCTEOSA-N 440.529 2.224 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2cccc(I)c2)n1 788820598 UAMOAKRTXYTOOO-UHFFFAOYSA-N 437.281 2.339 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1 798111254 WMPJNTBHYDENLN-VSZNYVQBSA-N 433.553 2.226 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)OCC(=O)NCc3cnn(-c4ccccc4)c3)n2)c1 798800722 LTFVSGBQMISRCK-UHFFFAOYSA-N 426.436 2.403 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800784641 PPASQWCYYBJDQK-SFHVURJKSA-N 425.924 2.224 30 10 IEEE COCCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802437959 VBHRPIICRPUSTI-HXUWFJFHSA-N 431.500 2.194 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@@H]2CCCN2C(C)=O)cc1 811588002 SGCTZXAWYIVONQ-FQEVSTJZSA-N 438.484 2.467 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(F)cc3)n2N)c(OC)c1 1084482673 QJKZRQNGHCCVOT-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1129016683 XGUSWADCXLQYLF-UHFFFAOYSA-N 448.928 2.303 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 1141269338 DCQMJDWWHJJNLM-GOSISDBHSA-N 440.569 2.396 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C 1141592069 XHBKJIAHPDLRFJ-KRWDZBQOSA-N 430.526 2.333 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(c4nnc(N)o4)CC3)C2)C1 1164439315 BJOBLBCKUHPKMF-DBWCEAHUSA-N 430.509 2.145 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 1251846358 CDZZBEQEJCAYEX-MBSDFSHPSA-N 435.484 2.422 30 10 IEEE C[C@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)COc2ccccc2O1 1280434715 DYKORQTVDJCBAH-HXOBKFHXSA-N 434.452 2.110 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1286299601 XHDCIOOXHAZVSX-AVYPCKFXSA-N 436.965 2.199 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCC1(O)CCOCC1 1286425452 ZJWUKFVEYPHJHS-UHFFFAOYSA-N 438.528 2.357 30 10 IEEE CC(C)(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1287046062 KCTYNKZQJZMAKV-CEXWTWQISA-N 449.559 2.278 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(C#N)c1 1288272028 FEEVDZQTMQDGEO-IBGZPJMESA-N 446.577 2.356 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1)N(C)C 1288614435 FVEQSNGSDLOXCV-INIZCTEOSA-N 435.511 2.023 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1288716117 ATCSJDQAAXIVNM-GDBMZVCRSA-N 431.541 2.130 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)n1 1290627773 IAOBIRFWSBDNPQ-JOCHJYFZSA-N 442.543 2.230 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@H]1COCCO1 1300276663 OWOPKLRBEJYVDU-RDJZCZTQSA-N 430.505 2.234 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NC(C)C 1300643847 VGGLDIGXUOGTBA-HSZRJFAPSA-N 443.523 2.234 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300889181 PMAPKOIINHFLPS-JTAQYXEDSA-N 446.640 2.495 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1300895137 NCJXYOISHKJVOI-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1 1300993381 WVLBTKQAIKBZIL-QFIPXVFZSA-N 429.517 2.442 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301236509 GADQFDAQUZACMK-CALCHBBNSA-N 447.584 2.476 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301241453 QSUXGYUDDDFIAK-HNNXBMFYSA-N 449.353 2.439 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(=C)CC1 1301502388 HAPCMPYVAIPWHU-KRWDZBQOSA-N 446.552 2.045 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(CC2CC2)CC1 1301588363 YJXRPTSSNHRSHH-UHFFFAOYSA-N 447.580 2.141 30 10 IEEE CON(C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1302331754 JXUSGIGHRKMNLN-BMRADRMJSA-N 447.293 2.232 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)c1 1304285048 DTSWIXNIOKGCMJ-QFIPXVFZSA-N 426.496 2.442 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(C(N)=O)CCCC1 1306192456 DMYZDSWCKIXEFN-UHFFFAOYSA-N 425.512 2.224 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 1307967999 RGZJVWSOSUIVRZ-GHZBRMKWSA-N 437.581 2.365 30 10 IEEE CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1309188896 GJHXUYSKTGNOGU-SNVBAGLBSA-N 441.344 2.294 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1313471326 HDGVMJDEYVCNJA-UHFFFAOYSA-N 449.559 2.086 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1314867968 ILRMDKQYVZALNB-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1358888013 GIXVJYIRXJUDGG-YLJYHZDGSA-N 425.533 2.493 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1358912737 XPKBFQBGHADCRM-VGSWGCGISA-N 446.548 2.221 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@@H]1C 1358986851 JEIYQMCBYORFDP-INIZCTEOSA-N 445.365 2.219 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1359010304 LRCFFKBTUUGZRJ-VGOFRKELSA-N 433.553 2.207 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359100847 GXEITVCDDKLUHQ-OFNKIYASSA-N 444.624 2.202 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359472668 OILBCVSPEGHWAS-DLBZAZTESA-N 443.552 2.370 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1360062672 LLEKDWAHLXYCST-QBEKEKFNSA-N 430.553 2.254 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1=CCCCC1 1360240690 NOIJCJLODGLGMZ-QGZVFWFLSA-N 449.563 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1440806487 AKPRVCRPHVGCKU-HSZRJFAPSA-N 446.523 2.498 30 10 IEEE C#CCOc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1443947633 RINLBFATHSXHHP-LZQZEXGQSA-N 448.541 2.307 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 1465726293 OWNPFIHLUFXDJW-GJZGRUSLSA-N 449.529 2.063 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 1470568648 LNTIRFASPOARFE-PKOBYXMFSA-N 438.981 2.161 30 10 IEEE N#Cc1nc(NC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Br 1476946534 FVWPQAMMFUDRSI-UHFFFAOYSA-N 432.234 2.247 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)cs1 1492675363 VUEUEBMVZUIAMD-MGPUTAFESA-N 433.557 2.044 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1503705835 KUCAYVWTPPASPF-QGZVFWFLSA-N 440.548 2.221 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507564552 SCCZAOIJGJWCRM-SFHVURJKSA-N 425.537 2.101 30 10 IEEE C#CCCCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1507576630 YUPMEHLATQNLQA-QHCPKHFHSA-N 431.581 2.428 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCn1cc([C@H]2CCOC2)cn1 1507712784 PHOJFBQPWUAJHK-ICSRJNTNSA-N 428.537 2.006 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](F)COC)CC1 1507723050 SAFNBUHNDSVXQZ-HNNXBMFYSA-N 436.329 2.447 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(C)(=O)=O)cc1 1507983389 SXVHOYFZSZBANZ-UHFFFAOYSA-N 428.562 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CC=CCC1 1508129936 FCHUFVZACKVVPK-QGZVFWFLSA-N 444.561 2.319 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)C1CCCC1 1516538120 GPTBXALGVHWVMR-UHFFFAOYSA-N 425.537 2.224 30 10 IEEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1517298353 HJWLTOGNIYULDQ-JOCHJYFZSA-N 431.560 2.497 30 10 IEEE COCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1518789231 IRAAEJCCCRWIMV-INIZCTEOSA-N 432.912 2.165 30 10 IEEE C=C(C)COCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1525655569 QOIHNVDGLUCNKK-OAQYLSRUSA-N 428.526 2.043 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539102191 UOEHVDOMPLXXHS-UHFFFAOYSA-N 446.533 2.127 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539210491 CDMZHEBQGHZGEN-QGZVFWFLSA-N 449.964 2.047 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539211736 KQGMEICRLDRVLR-OAHLLOKOSA-N 431.905 2.262 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)C 1539350179 DAEMXOVIGBBOGJ-LJQANCHMSA-N 433.578 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC1 1539477766 XZEXJJNJXZGTGC-IAGOWNOFSA-N 448.518 2.021 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539505765 DGEQUSALIAOUIF-HNNXBMFYSA-N 443.529 2.317 30 10 IEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1540919132 HCZXXOHLCYCFIA-UHFFFAOYSA-N 434.635 2.060 30 10 IEEE CN1CCN(c2ncccc2CNC(=O)Cc2ccc(Br)cc2C#N)CC1 1542471215 NGTXSEBILLNQAE-UHFFFAOYSA-N 428.334 2.326 30 10 IEEE C[C@@H](C(=O)Nc1nc(C(F)(F)F)c(I)s1)n1cnc(C#N)n1 1544901459 ZCENURXCRJQQKN-BYPYZUCNSA-N 442.164 2.429 30 10 IEEE CCO/C=C/[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(F)(F)F 1556794293 GTHDJQVRHHRIDI-QXLXQBSBSA-N 434.436 2.337 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1558383600 OQBSUZLJURHCNR-MRXNPFEDSA-N 435.525 2.478 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3c(O)cccc3F)nnc12 1559037161 LRESJRWSPDNVEA-UHFFFAOYSA-N 439.472 2.483 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1583811743 KBZLCGOEQSZKCB-LEWJYISDSA-N 427.526 2.293 30 10 IEEE CCOC(=O)CON=C(C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cc[nH]n1 1585102698 PVZICZYPDDBIGM-UHFFFAOYSA-N 442.472 2.050 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1585640131 LVCBPBFAEKCFEO-KGLIPLIRSA-N 434.459 2.491 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1586904073 LVBLURZXJBBTKJ-QFIPXVFZSA-N 426.542 2.007 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1587557191 AQLAUCOKDNZCRK-OXQOHEQNSA-N 427.567 2.391 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1588040379 MCKTVBYKHKZIES-IBGZPJMESA-N 445.589 2.349 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1588049306 DXVFFMCXVRFLOA-IBGZPJMESA-N 428.558 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1(N2CCOCC2)CC1 1588254536 YTVAVRZHURARRM-UHFFFAOYSA-N 449.555 2.193 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1588266658 UAIVSRRMOPSGNS-JYJNAYRXSA-N 431.562 2.281 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1588779739 BDXROIDUHLZTBQ-IBGZPJMESA-N 442.995 2.322 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(N(C)C)CCCC2)CC1 1588923809 MNWUUJQHUXFJES-UHFFFAOYSA-N 449.603 2.489 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589483734 QHDJMDFHBXVAOZ-YHEJKZAPSA-N 430.553 2.197 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589483735 QHDJMDFHBXVAOZ-ZWWNWMABSA-N 430.553 2.197 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1594644981 ISFBZUPAGGBOKL-UHFFFAOYSA-N 434.548 2.350 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)COCCO1 1595302995 JEMITAMCOVSUHA-SIKLNZKXSA-N 430.505 2.235 30 10 IEEE Cn1ncc(I)c1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 1597802763 AJHGJGKJSMFVON-UHFFFAOYSA-N 432.225 2.012 30 10 IEEE CC(C)C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N1CCOCC1 1611059219 DCKIMSMMPSRSER-FQEVSTJZSA-N 430.524 2.303 30 10 IEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)[C@@H]1C 1613041321 XSARYTQDNKSLHI-SJORKVTESA-N 431.562 2.458 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cccnc3C#N)CC2)cc1C 1613782115 HQVRIVQFRSPTKC-UHFFFAOYSA-N 430.555 2.195 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1614932249 MWORBAHIWNVYKM-DEOSSOPVSA-N 449.559 2.038 30 10 IEEE C#Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)cc1 1623035927 QQSYBJBGYXHPMC-UHFFFAOYSA-N 426.542 2.316 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 1623589947 IKKKFBKRSAZWAU-LEWJYISDSA-N 445.560 2.491 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(I)cc1O 1636270283 CHBFBRPLHDIGTA-LLVKDONJSA-N 449.252 2.009 30 10 IEEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1636512593 LRMDJVRLZSSMLV-LDBYXDLTSA-N 439.578 2.056 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 1647728230 BTMFUURERCBKGA-GOSISDBHSA-N 433.350 2.126 30 10 IEEE COc1ccc(-c2nnc(S)n2CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1647950930 AFDJGVVKQITZNQ-UHFFFAOYSA-N 434.525 2.463 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)C2)c(F)c1 1651223417 DCMQUUJUKFLBLU-MRXNPFEDSA-N 436.443 2.428 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H](CO)CC2CCOCC2)cc1Br 1655166177 FIGYPXIIMGTGOA-GFCCVEGCSA-N 435.315 2.163 30 10 IEEE COC(=O)c1ccc([C@H]2CCCCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1C 1655885501 BBUCZHROLPLCSB-CTNGQTDRSA-N 429.565 2.031 30 10 IEEE CCOC(=O)c1c(NC(=O)N(CCN(C)C)C[C@@H]2CCCN2CC)c(C#N)cn1CC 1672913203 BACZFTWMJAEYGA-SFHVURJKSA-N 432.569 2.436 30 10 IEEE C#C[C@H](NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 1674031632 YXXXJSXDJLMIQD-RCCFBDPRSA-N 448.273 2.425 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1680777783 REYYLFPOVQGFHJ-BQFCYCMXSA-N 441.347 2.159 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1682739323 XLVWJMZGSXKCMJ-UHFFFAOYSA-N 445.516 2.444 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1690113966 YZXIJDLSXXITNQ-URXFXBBRSA-N 439.560 2.073 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690306619 YYAYKTWAKPUHQM-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690316463 GCWWYMMRXWFSLD-LJQANCHMSA-N 427.553 2.340 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)N(C)C(=O)OC(C)(C)C 1692696355 DUBZBTKOGCGGTF-HNNXBMFYSA-N 439.520 2.008 30 10 IEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cs1 1693366467 CJGRVURLFRYSOT-LJQANCHMSA-N 435.513 2.465 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1696656527 KKIXODNOFKCQEF-UHFFFAOYSA-N 437.548 2.213 30 10 IEEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 1696871286 CRPANENWJNDUGU-UHFFFAOYSA-N 444.421 2.341 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)C(C)(C)C 1705667607 XVNOGYUSFSBSPI-IIMAJNMQSA-N 428.562 2.465 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCNC(=O)c1cc[nH]n1 1705677314 KHKWSLYTOMDETN-HSZRJFAPSA-N 433.516 2.311 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1705697141 KLCQEHVQHMIRJX-DBVUQKKJSA-N 445.589 2.432 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOCC)CC1 1705705924 NDCOUVHVRZADEU-FYYLOGMGSA-N 440.592 2.404 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1705919059 WOCFWGDGLRMWPS-GOSISDBHSA-N 431.562 2.479 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOC2=O)C1 1705919856 LYBOBHMJGHYMBT-SFHVURJKSA-N 442.476 2.477 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1706172432 OLQPTATXIOJSTO-UHFFFAOYSA-N 431.541 2.055 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1706643699 BITFRNSMHGVCGZ-UHFFFAOYSA-N 432.532 2.454 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708134075 LOVRHVFUPGBHJV-YWBAYFEHSA-N 447.499 2.101 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1712509495 XNDPLPFCEGITMK-HZPDHXFCSA-N 426.521 2.075 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1c(C)nn(C)c1C 1722423561 HUUDVZKTKYWSIU-UHFFFAOYSA-N 438.532 2.447 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1722498403 ZPRFPDYGYVNZNF-HTAPYJJXSA-N 444.557 2.293 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1722608178 XDTWWSQXUYKXQE-HKUYNNGSSA-N 432.569 2.352 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722694145 MMOCNPJFIIHFJM-PKOBYXMFSA-N 436.560 2.260 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1723077735 ODBZUJMANIXQTR-JOCHJYFZSA-N 441.536 2.298 30 10 IEEE Cc1n[nH]cc1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1724092097 BDYRUSUZCWLIBH-UHFFFAOYSA-N 441.561 2.352 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1728293346 HSPVQWZUDHFBIQ-LJQANCHMSA-N 429.546 2.257 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C)C2)CC1 1728635566 YDYRXPWOLQYRDW-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1729161191 DJILDKVASJPSFT-UHFFFAOYSA-N 426.521 2.212 30 10 IEEE Cn1nncc1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1729606381 GVZUZNUZDNTUKY-QGZVFWFLSA-N 431.273 2.326 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCOC2)c1 1740562429 JWBQSBHUAZFRNN-SFHVURJKSA-N 433.516 2.161 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740589445 YZPVIAFQGHJUFE-UHFFFAOYSA-N 442.520 2.476 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1740597772 YNCCGEYERKUDLK-GBXCKJPGSA-N 445.608 2.422 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1740618783 CDDKIDCYYQKEKR-LJQANCHMSA-N 437.525 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1740652927 RVBXUOFCEGZGAS-RBUKOAKNSA-N 444.539 2.328 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740655235 BZZHEMRFUBOMML-ROUUACIJSA-N 439.482 2.246 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1740671746 NQFOKBJVEYNGDP-UXHICEINSA-N 429.590 2.251 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCc2cc(OC)ccc2OC)CC1 1740706039 QNCBSUHHOZDYCM-UHFFFAOYSA-N 439.560 2.456 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740767293 NPPUAUIVVURWLN-HKUYNNGSSA-N 434.585 2.426 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740768576 MKQOOILNUBYJIB-YLJYHZDGSA-N 426.583 2.157 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1740897442 HFKXSRPDQZATKN-UHFFFAOYSA-N 428.518 2.041 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1C 1740917471 SYBYFYZVESEXSN-UHFFFAOYSA-N 429.488 2.295 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740984250 YRBLEASLNAMBOY-KHOFPDMRSA-N 440.548 2.319 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1742172522 IKXBDDLCXZTPQZ-VQTJNVASSA-N 441.532 2.398 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(C)(C)O)c2)n1 1742712552 FNVZUXNDYGIBIE-FQEVSTJZSA-N 435.532 2.144 30 10 IEEE CN(CCc1cccs1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1747900111 NRFKTSVRHSMQJZ-QTIQAUKSSA-N 442.545 2.396 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1748664426 GMPWDCUINQQJIV-MRXNPFEDSA-N 430.516 2.223 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(C)nc1-c1ccccc1 1748766194 IJLHABQOLBIHMC-UHFFFAOYSA-N 426.484 2.444 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748808083 HROGPXZROHTAJM-SJLPKXTDSA-N 446.598 2.334 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1748979989 VOSZJOXIQBQXLL-OAQYLSRUSA-N 429.528 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2ccccc2)CC1 1749001659 YJQMGMXAQBENQR-LJQANCHMSA-N 448.571 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](CC)OC)CC1 1749017049 UISYKNZZRHPDBZ-FQEVSTJZSA-N 439.560 2.268 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749020030 IURWNABBTQMAGM-VGSWGCGISA-N 449.621 2.337 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)CCC)CC1 1749043118 DYDGEWIWNRQLOF-UHFFFAOYSA-N 443.621 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1749131676 UHWHFZAGJGSVGO-SCTDSRPQSA-N 431.562 2.193 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1749401708 CPPGKASFEHRFNW-VIQWUECVSA-N 437.610 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC2CC2)CC1 1749655425 KLSPYORJHZXLSY-UHFFFAOYSA-N 446.502 2.381 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1750379681 WOIZZFGJIXATOG-QAPCUYQASA-N 430.450 2.326 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(C4CCC4)n3CCSCCCO)CC2)nc1 1750384401 YYWXDKVHYFVPCO-UHFFFAOYSA-N 427.578 2.254 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1750390347 KJAPRBRLBJHHDM-IDYLYPCZSA-N 439.520 2.176 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1ccnc1C 1760119468 AFSJKKKSUCJJLZ-OAQYLSRUSA-N 446.603 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760122152 YIKHGQMSEVQBIP-FUHWJXTLSA-N 436.482 2.375 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760188824 MYFDOLGGZDALFR-RBUKOAKNSA-N 444.605 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1760268552 TXOQNQFRSNUOPR-RBUKOAKNSA-N 437.592 2.359 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCOC)CC1 1760314142 SZCIABNTXPAPQY-ICSRJNTNSA-N 447.580 2.127 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760347768 WNPVVDBILRFVJA-OAQYLSRUSA-N 430.578 2.147 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)CC1 1760389799 ULAWANGJAQIICK-OAHLLOKOSA-N 435.516 2.221 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1760458634 NYVHMKQHAYZEAR-UHFFFAOYSA-N 446.346 2.360 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1760490151 QTQSDZXBQSEECE-JBYIUTFZSA-N 429.544 2.370 30 10 IEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760507587 QCUSXTZSIGEKCX-ZDUSSCGKSA-N 447.337 2.458 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1760523611 CPZIGOQORPCCST-IBGZPJMESA-N 446.596 2.297 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](COC)C1 1760554864 PDWWXFMSGNXLKX-HNNXBMFYSA-N 440.516 2.221 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1760695177 BUJFLASYIYOSMS-SJLPKXTDSA-N 436.582 2.097 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1765454473 DPFYNMISQIVUHO-LJQANCHMSA-N 430.578 2.172 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2OC(F)F)CCOC1 1767481319 BNZBEQFQRZEVAM-HRAATJIYSA-N 449.458 2.309 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770979906 VOIYMCYEPPAVDD-QHCPKHFHSA-N 434.500 2.268 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)c(C#N)c1 1851465726 PHXSSPXJPRNNPM-UHFFFAOYSA-N 433.461 2.369 30 10 IEEE CC(C)[C@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)N1Cc2ccccc2C1=O 1851536920 ZVQRVUGNCOWCSV-HSZRJFAPSA-N 447.539 2.299 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc1C 1852111679 AIQRNBOMCSBLOU-LJQANCHMSA-N 444.488 2.420 30 10 IEEE CCN1C(=O)CN(CC(=O)Nc2ncc(C#N)c(-c3ccc(Br)cc3)n2)C1=O 1853134886 FCAWJNGFKQROOD-UHFFFAOYSA-N 443.261 2.000 30 10 IEEE C#CCS(=O)(=O)CCNC(=O)C[C@@H](c1cccc(F)c1)N1Cc2ccccc2C1=O 1853243658 ATHJOOAUKNOVOJ-FQEVSTJZSA-N 428.485 2.077 30 10 IEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)cc1 1862756881 DEYFNSLQBDYULR-QGZVFWFLSA-N 426.381 2.254 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CSc1nnnn1C 1870196999 YLYGIYUNRCWKIS-UHFFFAOYSA-N 426.502 2.176 30 10 IEEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889590166 JVDXTHCSQIUDLZ-UHFFFAOYSA-N 440.009 2.069 30 10 IEEE C#CCOC1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)CC1 1892035078 POBPSWVWYZBEDI-UHFFFAOYSA-N 442.537 2.428 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2011660058 IFAJKMSQEHDMFC-AWEZNQCLSA-N 441.525 2.332 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625458 KJKKTLDNGCWPCS-UKRRQHHQSA-N 432.330 2.360 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247833617 JETWBJQCTSHLCF-STQMWFEESA-N 437.371 2.333 30 10 IEEE Cn1nc(C(=O)N(Cc2ccccc2)C2COC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247913604 YGAFBSCFIVZNIC-UHFFFAOYSA-N 431.729 2.414 30 10 IEEE COC[C@H](COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2248587241 NMAMKRAARVMCBO-CQSZACIVSA-N 426.294 2.438 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255631918 GKGVDFMHCDWJHI-CYBMUJFWSA-N 434.346 2.227 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256056843 BKEWNOZBYNEDJV-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2256622537 ILNRVRVDOSEHFG-UHFFFAOYSA-N 426.322 2.356 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2257493121 PJFWONJVOFEOGV-INIZCTEOSA-N 431.342 2.428 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2cnn(C)c2Br)C1 2266533954 FFSWTAUYXSLDSX-UHFFFAOYSA-N 425.327 2.448 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267107587 ARVYKLSPMGFWGA-JKSUJKDBSA-N 446.353 2.086 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267137223 PJFWPLZUSYTLOT-GDBMZVCRSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267144584 YFWODICGODVQFZ-GASCZTMLSA-N 446.357 2.323 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)[nH]n2)OC1(C)C 2267148175 ZQSVHARZLVBJJO-GBESFXJTSA-N 436.365 2.349 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267162127 LJTKEXYZRAKKDD-HOCLYGCPSA-N 446.357 2.199 30 10 IEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267180815 JFPDCSHRMCGHKM-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCCN(Cc2ccccc2)C1 2267181658 VMKLMHFAOMNIPC-IBGZPJMESA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267182002 AGRYDAPVLDNTNU-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267199277 JXQAELVHHWEKSQ-JMSVASOKSA-N 444.259 2.496 30 10 IEEE CN(CCCCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)Cc1ccccc1 2267223367 GANMIEAUBDHGFG-UHFFFAOYSA-N 441.385 2.146 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CC)CN(C(=O)OC(C)(C)C)C1 2267527198 CWSVMXNASRCZQH-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267565532 PHXNNVDGJVJLKD-OKILXGFUSA-N 449.361 2.115 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880127 PLOXVZXDKSZOLU-GJZGRUSLSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268641011 KXBMBGZLGHNJAT-UHFFFAOYSA-N 446.353 2.104 30 10 IEEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306394 MPUUNXZBUMDVAP-REFGNXHDSA-N 441.833 2.136 30 10 IEEE C=CC1(N[C@@](C)(COCCNC(=O)OC(C)(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2306608311 TVBCUSKIAPTBPS-FQEVSTJZSA-N 443.541 2.136 30 10 IEEE Cn1ncc(I)c1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2307934987 HIHOVTQIDPYXGW-UHFFFAOYSA-N 426.067 2.463 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315692925 CFXDTLOGFHBCOG-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE COC(=O)C1=C(C)N/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C1=O 13319771 ZOJYRJRQXGLFOL-ZDLGFXPLSA-N 437.452 2.112 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 102741674 UWCFIGCVNQJRRU-LAFOYAEKSA-N 444.919 2.434 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1 410306126 ZWCKDFCSAMRWCG-UHFFFAOYSA-N 436.491 2.229 30 10 IEEE Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 433884808 KTWDKSNBQXXLNW-MRXNPFEDSA-N 439.335 2.433 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 438603091 BEONFKFMEBKSSU-UHFFFAOYSA-N 433.468 2.231 30 10 IEEE CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460228294 NDYHNPZEFKUBSP-HNNXBMFYSA-N 434.504 2.359 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@@H]2CCCO2)o1 461145602 BGYGSUAJDRLMRY-WBVHZDCISA-N 434.504 2.402 30 10 IEEE CCN1CCC(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471050496 OIHANJIXNGPJJL-UHFFFAOYSA-N 439.560 2.446 30 10 IEEE C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 471996539 ZNIIXLGESOAHRI-UGSOOPFHSA-N 448.508 2.093 30 10 IEEE CC(C)c1nnc(S(=O)(=O)CC(=O)NCc2cccc(C#N)c2)n1Cc1ccco1 506928088 RHUYDAOAIKYDQQ-UHFFFAOYSA-N 427.486 2.005 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)c1 513785045 DZWNCPCEGMBXMR-GOSISDBHSA-N 437.399 2.342 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)CC1 524498369 MAOUMDWXBLIOOP-HXUWFJFHSA-N 427.593 2.048 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1-c1ccc(F)cc1 571621834 RFRPXBHHADUVBO-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE C=CCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1C(F)(F)Oc1ccccc1 573489233 NMACQVAIDSCJEJ-HNNXBMFYSA-N 427.477 2.110 30 10 IEEE COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 610829323 OACXSRVVBPQWTB-IBGZPJMESA-N 443.525 2.467 30 10 IEEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 731861633 IEIOGYBHEYFYGU-LVZFUZTISA-N 431.855 2.289 30 10 IEEE C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732152782 ARPBDLPTDSNTHF-BIBRTQAFSA-N 426.517 2.196 30 10 IEEE COC(=O)[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 740177003 WQLOTTHDGDUDJB-GOSISDBHSA-N 436.873 2.290 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cc(Br)cn2)nn1 750421235 JFSOMDZPUKQWLY-APPDUMDISA-N 435.282 2.025 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(-c3ccccc3C)c2=O)c[nH]1 753360614 UYPCDFDYWKXFHF-UHFFFAOYSA-N 449.532 2.440 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n1C1CC1 755662097 UVUUQTOKSPGFKP-INIZCTEOSA-N 427.551 2.425 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NC1CCN(c3ccccc3C#N)CC1)C2=O 757032787 VSJDEDDBYWARIT-IRXDYDNUSA-N 437.544 2.390 30 10 IEEE C#CCN(C(=O)Nc1ccc(I)cc1C)[C@@H]1CCS(=O)(=O)C1 774015180 KYIWGEFLHXUMOF-CYBMUJFWSA-N 432.283 2.254 30 10 IEEE COCc1nc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)co1 775076789 JZFGMXHUYFYHIK-CQSZACIVSA-N 442.472 2.347 30 10 IEEE CN(Cc1cnc(N(C)C)nc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 780507717 URLHXECXLUVSCH-HKOYGPOVSA-N 445.549 2.019 30 10 IEEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 782814966 BBHIUDFTBCILHK-YPMHNXCESA-N 430.452 2.130 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC2(C#N)CCOCC2)cc1 783429635 CVBYRQVDSGHPOC-LJQANCHMSA-N 434.514 2.296 30 10 IEEE COC[C@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 785066126 ALXKSPMSCPHLCP-AWEZNQCLSA-N 436.408 2.068 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccccc2I)n1 788810764 HOIJXSFTOCQMHM-UHFFFAOYSA-N 437.281 2.339 30 10 IEEE COc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)cc1OC 789968928 RWZMCDIIDBSHCQ-HNNXBMFYSA-N 428.518 2.324 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 790854710 XCLDPEJUESAVLV-MAODMQOUSA-N 442.578 2.185 30 10 IEEE COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(Cc2ccccc2)c1=O 797412269 GXGHZUNILWCLCM-UHFFFAOYSA-N 439.500 2.179 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3F)CC2)cc1 799999895 CDEGGCXNGZTOPL-NTEUORMPSA-N 435.502 2.004 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@](F)(C(=O)OC)C1 802605059 YRQLKROJLVGEFT-NRFANRHFSA-N 431.468 2.372 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 804457533 YXNRZMUYBUKKNI-GOSISDBHSA-N 432.567 2.062 30 10 IEEE COc1cc(OC)cc(S(=O)(=O)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 805931299 HAKAZUBLHLIIKT-AWEZNQCLSA-N 433.461 2.046 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813711881 QZUORMMJKQCHKG-WOJBJXKFSA-N 449.573 2.324 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856616192 SJNSWUYTFORZPA-IPMKNSEASA-N 443.548 2.341 30 10 IEEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccccc3C#N)c1=O)O[C@@H](C)C2 917800046 VRFJDXGYBPSFBZ-AWEZNQCLSA-N 440.484 2.129 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCCC(=O)OC)C1=O 920986220 FKAZEFCUUUVGKX-MRXNPFEDSA-N 434.518 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2C(=O)OCC[C@H]2C1 1137570258 RMKBLWLRIUWNDM-PKOBYXMFSA-N 440.500 2.446 30 10 IEEE C=C[C@@](C)(O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1151829472 WDMGNXLAIPLVGW-HXUWFJFHSA-N 425.551 2.041 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1156392265 HVZWZXDHLSVIBL-DLBZAZTESA-N 429.583 2.263 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)nn1 1160842314 XGTWWBAKFWXAEU-RTBURBONSA-N 440.504 2.072 30 10 IEEE N#Cc1cn(CCC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(=O)nc1O 1161120825 GGEJCXDRZHCAEP-INIZCTEOSA-N 426.864 2.494 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc(-c4nncnn4)cc3)C2)C1 1164459879 NATRXRISLUWDMC-OTQYULQBSA-N 449.515 2.337 30 10 IEEE C=CCOCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1213135192 HOVRUMOBFYIYLT-CALCHBBNSA-N 430.592 2.224 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)cc1 1216704609 ASSZHIUUXNGCCM-YJYMSZOUSA-N 439.501 2.009 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC(F)(F)F)CC1 1286439707 WSIWIPQEOYRNOH-UHFFFAOYSA-N 433.482 2.416 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1286466415 GNSZUGPIFOOLFL-OXJNMPFZSA-N 438.450 2.318 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](OCC)C(C)C)CC1 1286489894 HHLCCEHVRMRWHK-FQEVSTJZSA-N 441.580 2.096 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286689725 AHRNXPKQXGBAFY-OAQYLSRUSA-N 438.576 2.336 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1286783249 IEYTVWKYIPDFDW-INIZCTEOSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1286793946 QOIASSSMEVJMJI-GOSISDBHSA-N 430.940 2.412 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)OC)C1 1286794976 CXYYCTSJCYCQQN-ROUUACIJSA-N 439.516 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cncn2)C1 1286805559 RDFXQLHGHFDTBA-QGZVFWFLSA-N 425.493 2.035 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1286832875 PNZDJRAEJFOJTA-ROUUACIJSA-N 440.635 2.495 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1286835235 UCUCJSLZZCOFMO-UHFFFAOYSA-N 431.610 2.411 30 10 IEEE Cc1ccc(-n2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c(C(C)(C)C)n2)cc1 1289436627 PEALTVOBGVAZLY-KSFYIVLOSA-N 426.542 2.489 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2cn(C3COC3)nn2)cc1C 1289775963 UOWKYWMZOKSNGQ-OAHLLOKOSA-N 436.520 2.281 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)C2)CC1 1296179356 FLUZJVCUBCSCTD-QFIPXVFZSA-N 437.592 2.196 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCOC1 1296525134 ALWFOTYRGIQEHO-GCKMJXCFSA-N 436.557 2.439 30 10 IEEE CN(CCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F 1298705348 FTIAWDNRGASFFB-UHFFFAOYSA-N 434.470 2.243 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1300501665 MUUKMUAVSJWHCO-SFHVURJKSA-N 440.525 2.168 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCCC1 1300511146 FZMSSGODUHZHAK-UHFFFAOYSA-N 425.558 2.458 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1300631658 VFRUVKZEQOKOIR-SFHVURJKSA-N 443.552 2.022 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1(C)C 1300804206 OCRXGDPSYMTALP-WMZOPIPTSA-N 429.546 2.113 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cccnn2)CC1 1301606374 ORPLAIGCMIBUBT-UHFFFAOYSA-N 425.566 2.469 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1301610987 BNOQKUXEUCNITO-IAGOWNOFSA-N 443.639 2.157 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)F)CC1 1302999624 BPZRBNSQVJNAQF-MRXNPFEDSA-N 445.474 2.057 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H]3OCCC3(C)C)CC2)c1C#N 1304730273 BQAMNRIYNIYWFY-GOSISDBHSA-N 426.569 2.457 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccc(C#N)o1 1305785928 OXMGGXSWOFPDGI-UHFFFAOYSA-N 441.536 2.014 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312469896 RVMNQCBHZKINIY-VGWMRTNUSA-N 437.541 2.348 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)c1 1350925069 YXLXSBNOYAIDBA-FDDCHVKYSA-N 429.517 2.479 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1358910430 OSSHNOYTCVNBIG-UHFFFAOYSA-N 426.594 2.486 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1359053546 QNUDRAXLMGTHIR-KRWDZBQOSA-N 443.573 2.197 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359188099 GESJMODCCUSXET-GOSISDBHSA-N 444.580 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359297411 PKNVPPBSLWMRMD-MFEFFIJZSA-N 441.532 2.029 30 10 IEEE Cc1cc(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)nn1-c1cccc(C#N)c1 1439179824 IIQNHPWBYXMTOF-UHFFFAOYSA-N 437.525 2.374 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1447486973 QKSKYAQXSAPADV-STQMWFEESA-N 434.497 2.256 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1460874747 HAOXLNPGZBDZDZ-AUSIDOKSSA-N 428.533 2.405 30 10 IEEE COC(=O)[C@@](C)(Cn1cccn1)NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1460915730 ONJRSXXJSHLUQY-SPLOXXLWSA-N 429.546 2.491 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1462380179 PUMRCYJOKABGCB-KDOFPFPSSA-N 438.912 2.492 30 10 IEEE C#C[C@H]1COCCN1C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1468880638 CAGPVGDLPAZBTA-AZUAARDMSA-N 432.567 2.100 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1469984281 UMJRJGCOVVRGPF-QGZVFWFLSA-N 443.041 2.260 30 10 IEEE C#CC1(O)CN(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)C1 1473860958 KOHYMIPBTVJJFV-LJQANCHMSA-N 428.414 2.467 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCOC[C@H]2CCOC2)n1 1492743252 NUZXIUJXXJZHIY-HXUWFJFHSA-N 427.553 2.323 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2Cl)nnc1N1CCCOCC1 1505351946 UYFZIWMVYIEOKO-CZIZESTLSA-N 442.907 2.352 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1507630102 STWPQYVLYVGKEI-KRWDZBQOSA-N 428.514 2.267 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507634514 KUUQFSZPNMGQJN-MRXNPFEDSA-N 441.479 2.233 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507705265 QQXJMGHJUXESDH-QGZVFWFLSA-N 441.454 2.196 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N1CCCCC1 1507713014 WEULGTKZOLYHHO-RBUKOAKNSA-N 440.548 2.135 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)CC1 1507718311 NZYHHAYSBZIMLY-UHFFFAOYSA-N 444.381 2.053 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1 1507747776 YHKDOBMFVWICRQ-OAHLLOKOSA-N 425.624 2.437 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1507980473 GYGKHFJKIHFIOT-MRXNPFEDSA-N 443.932 2.074 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1508072449 IEDQVYUVKPCWEN-BLLLJJGKSA-N 449.353 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1508076373 ZPGNAMDVMXFJHQ-HOTGVXAUSA-N 449.353 2.486 30 10 IEEE Cc1cccc(C(=O)NCCn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)c1 1511059564 DZNPHKSFDXAFOV-LJQANCHMSA-N 431.500 2.116 30 10 IEEE CCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c(C)n1 1514477528 AOGQVTAQWCIIJV-OAQYLSRUSA-N 428.516 2.309 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2ccc(C#N)o2)CCOC1 1516230187 QXQDFNLUBCJCDY-YJBOKZPZSA-N 441.410 2.211 30 10 IEEE COCc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1518812572 GRALKDJLPJLDCL-OFNKIYASSA-N 441.532 2.242 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)C[C@H](C)O1 1518912408 ASOPYCDZJWFSCR-LAUBAEHRSA-N 435.532 2.423 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1524133328 LGUFYKNBPLKWCP-INIZCTEOSA-N 442.497 2.178 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1539147560 CEXAXNXMOJCXTE-ZDUSSCGKSA-N 445.467 2.099 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](F)COC)C1 1540889674 RQCLOYUJQIBJDV-CABCVRRESA-N 428.468 2.360 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1541233908 VBXFLDDXQDBBHW-WJOKGBTCSA-N 440.573 2.175 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1545094316 RUBAMNZGRNIMTN-SOLBZPMBSA-N 445.955 2.222 30 10 IEEE Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1545988184 DRLGDMVGXWDRLY-OXQOHEQNSA-N 441.919 2.270 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cc1OC 1554849735 HMQVCERWVJWSEG-NHCUHLMSSA-N 431.468 2.210 30 10 IEEE COc1cccc(N2CCN(CCSCCS(=O)(=O)c3ccc(C#N)cn3)CC2)c1 1559465763 ZJJFXFUKFCCYOW-UHFFFAOYSA-N 446.598 2.291 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1563035827 HAJPURIMLQFVNS-UHFFFAOYSA-N 437.269 2.455 30 10 IEEE C#CCOc1ccccc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1567740918 JIFDVUVAAOBYQP-GPMSIDNRSA-N 448.541 2.307 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@]3(C)Oc4ccccc4NC3=O)c(C#N)c2N)cc1 1587341291 LEKPBIVCWCZQMH-DEOSSOPVSA-N 444.495 2.473 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(C)C)c1 1587561707 HGGYTXMHCDYWJX-IAGOWNOFSA-N 433.578 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@@H](C)CC 1587579568 IEFWBROILYEMOL-HOTGVXAUSA-N 431.562 2.111 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1589060419 RKXJLOALDMPBIX-OALUTQOASA-N 425.558 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(OCC(N)=O)CC1 1589558560 LYKVEXWVOIWIRI-UTKZUKDTSA-N 445.589 2.382 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1589676303 PWVBMZZIONBJRM-UHFFFAOYSA-N 430.597 2.448 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1593746396 DAVOULZNBHJMAY-SJORKVTESA-N 426.583 2.024 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1595205018 OJTBUUMXCHLOSH-UHFFFAOYSA-N 449.515 2.213 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1596821555 CZAZAOWFJADBCC-WCXIOVBPSA-N 445.568 2.471 30 10 IEEE C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607488450 IBBHYOQKWUILPA-JTQLQIEISA-N 435.303 2.147 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)N(C)[C@@H]1C 1613902917 JKJHPMGGMGVGFX-LEPCQJGQSA-N 442.559 2.131 30 10 IEEE C#CCCN1CCC(NC(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1618545834 OOUZMOSBCYZZRZ-ZJSXRUAMSA-N 427.545 2.407 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C#N)o2)CC1 1618836277 IRAJPMKGYDXQKS-UHFFFAOYSA-N 435.488 2.140 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)C[C@H]1O 1618884525 FHGSAEBMBYSRGW-VAMGGRTRSA-N 439.516 2.136 30 10 IEEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 1622810170 ARTPBMQWZPXNCY-HXUWFJFHSA-N 432.528 2.245 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](CCC(=O)N(CCC#N)CCN2CCOCC2)COC1(C)C 1625977172 RIBXYJZARICWJH-GOSISDBHSA-N 438.569 2.213 30 10 IEEE CN1C(=O)CS/C1=C/C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1627454041 FBBOCPCAPROABI-ZNBBLSJYSA-N 435.347 2.205 30 10 IEEE C=CC1(CC(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)CN(C(=O)OC(C)(C)C)C1 1628280644 XZYCTHBGICPMLJ-LPHOPBHVSA-N 432.517 2.409 30 10 IEEE C#CCN1CCCN(C(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)CC1 1634015821 HGOMMQQUUOJTCB-MRXNPFEDSA-N 448.361 2.084 30 10 IEEE C=C(C)C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC 1635630464 LXUUENYSYYKBGG-HNNXBMFYSA-N 443.541 2.372 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 1638154637 UQHQSPHXCPOLKY-FQEVSTJZSA-N 429.561 2.436 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2F)c2nccn2C)cc1 1640215668 PFKJPDOKIXZAFB-IBGZPJMESA-N 444.463 2.129 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640978247 GGYUUYQEKMQVEM-HXOBKFHXSA-N 440.500 2.486 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)c1 1643227918 RKIYNQHYNYPTLT-UHFFFAOYSA-N 432.571 2.464 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1 1643756295 YQCJCQHPDIRLRE-FGZHOGPDSA-N 426.538 2.196 30 10 IEEE C[C@]1(C(F)(F)F)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1643897422 XBXUXXHMHCXOIW-GOSISDBHSA-N 447.479 2.465 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1(O)CCC2(CC1)OCCO2 1645911884 AKIFXACEVQQNOK-MRXNPFEDSA-N 425.526 2.128 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CCc3cnccn3)CC2)n(Cc2ccco2)c1C 1659899212 QUADNKCOZBJQRK-UHFFFAOYSA-N 447.543 2.207 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 1662047859 YRCMHAIQNMQSNK-UHFFFAOYSA-N 448.566 2.352 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)C2)nc1 1671568512 ZDQQMCCUGHJQNT-FCHUYYIVSA-N 434.544 2.306 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNc3ncccc3C(F)(F)F)C2=O)cc1 1672352173 CXDMTWDJXUSQPZ-KRWDZBQOSA-N 446.433 2.484 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675114120 YZBNIEOMGLBARI-DLBZAZTESA-N 448.568 2.454 30 10 IEEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCC1(C#N)CCCCC1 1682791346 MWYWBMLJZVPXPN-IBGZPJMESA-N 430.549 2.348 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1687692700 FHMVQYVMHXWKBR-ZWKOTPCHSA-N 428.537 2.478 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C(C)C 1689831890 SXWBGQWMWFDPJK-BTYIYWSLSA-N 432.594 2.412 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCS(C)(=O)=O)c1 1689871674 BHYKDVLJVQUARZ-UHFFFAOYSA-N 443.573 2.427 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1689983750 GRNSKZQWUJIUOG-HXUWFJFHSA-N 446.536 2.195 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689986737 WCNAYIFTCUUVFE-VGSWGCGISA-N 446.573 2.132 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)OC)c1 1690003643 SZBSXLYLGXYFHG-QHCPKHFHSA-N 437.500 2.230 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1690003708 VGRGRSHWINCRKC-DEOSSOPVSA-N 448.502 2.376 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1690041895 MYVXSWMPKPPVRF-QHCPKHFHSA-N 436.585 2.011 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1690126197 VLFZQUIUAFDDQA-SFHVURJKSA-N 426.540 2.068 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(=O)NC)CC1 1690165505 AOHGSARKBXQYRN-UHFFFAOYSA-N 441.557 2.393 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690245662 LHDDCWCRUOHBJD-LUYSREMJSA-N 433.597 2.309 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690480331 FRVUDNXKWJHVFQ-DLBZAZTESA-N 448.593 2.445 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C)[C@H]1C 1690674327 XDNJIVUXIMLHSD-HZPDHXFCSA-N 425.562 2.149 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCC2 1692659453 GHUPORYHXZPTID-LLVKDONJSA-N 430.314 2.360 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CCCO 1692661770 NHPKNLSKFQXAKJ-APWZRJJASA-N 427.509 2.438 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1692725464 IDWNFKZAELSCST-QKLQHJQFSA-N 426.521 2.250 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NCC)c1 1705503706 CAOUESJRQTVNRI-UXPWSPDFSA-N 425.533 2.258 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1705523409 QKDRURBBPRKZOL-INIZCTEOSA-N 429.908 2.274 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1705580338 IOBYTDHSADIIRL-JOCHJYFZSA-N 441.539 2.099 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCS1(=O)=O 1705602288 PDKGGRUWSZXDRC-FQEVSTJZSA-N 444.532 2.426 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1705656752 HWNOBGPOXUBLQK-QGZVFWFLSA-N 427.530 2.145 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cc1 1705909579 AWBYVCUXDAVKCW-XLIONFOSSA-N 425.533 2.334 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cccn1 1706626058 BETKEBYILOCZCT-FQEVSTJZSA-N 448.531 2.153 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H](C)O1 1708235014 XSMVSMTZRYTNQI-IAGOWNOFSA-N 436.520 2.104 30 10 IEEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1710649121 WMQDCEBXFZVJOP-ZJPYXAASSA-N 448.568 2.435 30 10 IEEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1711192523 IQRWJBCFTZXRHI-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)C1CC1 1711563014 FVIVABQCHKGKLP-RBUKOAKNSA-N 429.546 2.113 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1712167324 JDHLBGXXIRUZPX-LJQANCHMSA-N 430.528 2.348 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(OC)c1 1712560762 AIDNCLLLZKPYNQ-XLIONFOSSA-N 440.548 2.236 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccccc1 1722397173 OHWRJHCJPMLAKC-UXHICEINSA-N 426.542 2.031 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1722408052 XXKKLZCXEOBQLC-GOSISDBHSA-N 427.549 2.390 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H]1COCCO1 1722425157 OXKNZUDLEFVOPI-OAQYLSRUSA-N 436.516 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2scnc2C)CC1 1722447850 NUACRTFCQLBWFS-SFHVURJKSA-N 442.589 2.493 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1722475303 SPFUPTZGUCUAHS-JLTOFOAXSA-N 448.618 2.370 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1723020617 WYGRHKXKNKTFPJ-AUOLZGSSSA-N 443.529 2.478 30 10 IEEE CCCN1CCC[C@H]1Cn1c(COCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728163222 CVALARMDENEZHG-SFHVURJKSA-N 425.537 2.224 30 10 IEEE CO[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1729874867 HSGASMLITZEKAU-XLIONFOSSA-N 449.563 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1740636319 XTNXDWBIIWLHEP-PZJWPPBQSA-N 430.516 2.055 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740712091 WQFOKDUGCFSXPK-INIZCTEOSA-N 443.573 2.386 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nnn(C)n1 1740729948 PZNQAOQJGIJFTD-JOCHJYFZSA-N 436.520 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CC)C(=O)C1 1740752637 YSTVODMSDPMQSY-PXNSSMCTSA-N 446.596 2.236 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1740794190 SBWATFVLKYMQGD-UHFFFAOYSA-N 439.564 2.241 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740817985 ZVFGRCOUCKUIEB-VJANTYMQSA-N 439.988 2.302 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1740864525 NXNUULFDITZFLI-BZSNNMDCSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740881903 TVTARRYUXVFADK-JOCHJYFZSA-N 432.569 2.281 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740883352 QSMISIQERCNTFI-UHFFFAOYSA-N 436.520 2.058 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1740914458 RYPGKFPOWMWQRX-JOCHJYFZSA-N 448.589 2.227 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1740959697 CRMGTYSKKLJZBT-IRXDYDNUSA-N 430.578 2.029 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 1740980076 HNEDUCUXEKBZKI-SJORKVTESA-N 449.602 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740985094 BFXLVNMBZJWHKM-HOTGVXAUSA-N 427.571 2.107 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCC[C@H]1CC 1744696641 GOJCKFKSOJOCEH-RTBURBONSA-N 437.596 2.482 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1746365962 GZFBJSVGKHXFNK-UHFFFAOYSA-N 449.563 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@H](C)CC 1748648889 GHMQFBLGBZGOLC-HYFFOGBASA-N 447.605 2.450 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1748716849 VXZQPAYQZVZRNQ-QHCPKHFHSA-N 434.500 2.287 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1748717810 IYALAFRXEWJHQM-HOTGVXAUSA-N 435.575 2.018 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OCCOC)C1 1748734947 LBDUNVYADNPUBF-LJQANCHMSA-N 446.573 2.394 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1748999239 MTRDAIQDJSMAIP-SFHVURJKSA-N 435.450 2.176 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749378368 XNIDBYGANKLRTQ-QRQLOZEOSA-N 428.512 2.386 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1749565697 PKGMLOXFEAXHJS-XDOYNYLZSA-N 448.483 2.379 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1750064216 YRVXWZQMJJFQIU-AWEZNQCLSA-N 432.506 2.274 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 1760529216 ZSKUJQSNNVZDAA-IEBWSBKVSA-N 449.596 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1760552809 BCYHYEQGHXAFOK-HXUWFJFHSA-N 440.573 2.092 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760567812 NPOGBPRHHNDQFQ-INIZCTEOSA-N 433.607 2.109 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1760695074 AIDAHZKANREICP-UWVAXJGDSA-N 426.521 2.107 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)(C)C)CC1 1761554086 LKOYPRZGRXWESK-UHFFFAOYSA-N 441.536 2.441 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1763096381 UXNMNCJYSIXJLO-GOSISDBHSA-N 425.512 2.093 30 10 IEEE CN(C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)(C#N)CC1 1766938639 UOMPXLNUBPUIOJ-HXUWFJFHSA-N 440.548 2.499 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1767180390 HOWXAMZUZJOWPO-UHFFFAOYSA-N 426.502 2.266 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)C[C@H]1OC 1770303897 FHWKKPPXCDBZHR-JYRKZWEQSA-N 441.532 2.130 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)c1 1770304685 YCJZDNIRGRUUDT-AEFFLSMTSA-N 426.521 2.207 30 10 IEEE N#Cc1cnc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)c(Cl)c1 1851973580 USTPXLCTZXPRIT-UHFFFAOYSA-N 436.903 2.342 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1852293442 UDKFMDVCMFFVFZ-NRFANRHFSA-N 442.516 2.199 30 10 IEEE CN1CC[C@H](C(=O)O[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)C1 1852536954 WEFORUYPIGQTPU-RBUKOAKNSA-N 428.510 2.274 30 10 IEEE COCC(=O)N1CC(OC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)C1 1852638463 DBMOOJSWTVFRQF-NRFANRHFSA-N 433.464 2.046 30 10 IEEE COc1cccc(-n2c(C)nn(CCCC(=O)N3CCCc4nc(C#N)ccc43)c2=O)c1 1853298164 FMZKTUJYHXXUIN-UHFFFAOYSA-N 432.484 2.377 30 10 IEEE CSc1ccc(C(N)=NOCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 1853446932 CFQXWRGFESZISK-WBVHZDCISA-N 426.542 2.243 30 10 IEEE Cn1nc2c(cc1=O)C[C@@H](N(Cc1ccc(F)nc1)C(=O)c1ccccc1OCC#N)CC2 1853526178 WLTPFMGBJKWQGX-SFHVURJKSA-N 447.470 2.417 30 10 IEEE C=C(C)CN1CC[C@H](N2CCN(C(=O)COCc3nc4ccccc4s3)C(=O)C2)C1 1856857299 HVXIXUASHGZRQG-KRWDZBQOSA-N 428.558 2.134 30 10 IEEE COc1cc(C)c(C)cc1S(=O)(=O)OCCOCCN1C(=O)c2ccccc2C1=O 1860406016 DFHIGSZOEPNNGT-UHFFFAOYSA-N 433.482 2.330 30 10 IEEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1863330277 XYSPCROOBHUFGH-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CC)nn2CCC 1864327238 QRIFEPMMZUHILZ-GOSISDBHSA-N 426.517 2.223 30 10 IEEE O=C(NCc1ccco1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934039 WQWIGUIFUQAJMT-GOSISDBHSA-N 427.457 2.385 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1CCOC 1870393054 HOUKXQOUYPSGLB-UHFFFAOYSA-N 425.529 2.364 30 10 IEEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1891108700 PVGNBGALJISTDC-UHFFFAOYSA-N 428.514 2.106 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 1902431339 OKKPVGLPRASZDT-OALUTQOASA-N 436.574 2.395 30 10 IEEE C=C(I)CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1992152173 AQFCNCNEEGFMBV-CYBMUJFWSA-N 437.322 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N=c2[nH][nH]cc2C#N)C1 2010520412 YHIYEDOCBAHGSQ-QFIPXVFZSA-N 425.489 2.486 30 10 IEEE C=CCC1(NC(=O)C2CC(O)(CNC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022892933 CZQOTUFABVZMJC-UHFFFAOYSA-N 439.553 2.334 30 10 IEEE C#CCN(CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2065463754 OQSMBNPEEBUFNW-UHFFFAOYSA-N 428.338 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C[C@@H](O)C1 2068910780 FWKDSFDYILGLHR-DOTOQJQBSA-N 436.358 2.394 30 10 IEEE C=CC1(NS(=O)(=O)c2cc(Br)ccc2N)CN(C(=O)OC(C)(C)C)C1 2075319071 DRIDDJHBMVOUED-UHFFFAOYSA-N 432.340 2.485 30 10 IEEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2224117900 MNAPIIQVKJNQQF-OAHLLOKOSA-N 436.314 2.134 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243418038 ZKLAQBPBELBJHG-HNNXBMFYSA-N 430.376 2.493 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255343495 XKWVTZBGIIBRPN-MRXNPFEDSA-N 433.358 2.311 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 2255623311 LNZVRZJOPUKJTI-UONOGXRCSA-N 436.362 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255626674 IVDMZJZBQDRDBT-UONOGXRCSA-N 434.346 2.131 30 10 IEEE COC[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2258958421 GSGVLBYLCPAYRL-QFIPXVFZSA-N 436.358 2.401 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267012014 NZAYPPZYLKVXKT-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267136948 NIHYBPWJVFLPMN-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267145666 HYIDOLREHAWPNB-KBPBESRZSA-N 446.357 2.084 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267155949 BFQNFWSZFOERIO-UHFFFAOYSA-N 448.373 2.229 30 10 IEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267518389 FEZHKGMANIIZSH-FMKPAKJESA-N 446.357 2.036 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267528158 QHMPVUGTPFMCAP-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267528373 DEWNXXWHIFDZRP-IBGZPJMESA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267597420 VAYGOMKGIDMHDQ-QILLFSRXSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268640514 XJNWJHNXMSTJHF-YOEHRIQHSA-N 447.341 2.249 30 10 IEEE CC(=O)NCc1nnc(SCCO)n1N=Cc1ccc(OCc2ccccc2)cc1 2330794649 GKUGHUBHPBGXAC-UHFFFAOYSA-N 425.514 2.460 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C[C@@H]2C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2331230209 DCMQYTJQSADYIJ-DOQJBMMISA-N 444.341 2.408 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc2C1=O 12260346 ZTLXEBDCVQNHDJ-UHFFFAOYSA-N 425.466 2.261 30 10 IEEE Cc1cc(C)nc(N/C(=N/C(=S)NC2CCCC2)N2CCN(c3ncccn3)CC2)n1 14160489 OQYBGSWEYUKIGT-UHFFFAOYSA-N 439.593 2.291 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc1OC 20424027 YAJRMNRVMUWQBA-UFWORHAWSA-N 430.494 2.041 30 10 IEEE Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CCN(c1ccc(C#N)cn1)C2 69893978 FAZKZNHXJOZZFI-INIZCTEOSA-N 443.511 2.266 30 10 IEEE C#CCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 111046838 IJFSJCBCRLVRQD-WBVHZDCISA-N 431.539 2.141 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 204863621 RDSVBYKCBAUJJF-CYBMUJFWSA-N 432.330 2.184 30 10 IEEE N/C(=N/O)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 236326287 VJBGEZMITALRPU-JTQLQIEISA-N 438.063 2.405 30 10 IEEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 441017849 ZMMQETGILRAAJF-UHFFFAOYSA-N 448.574 2.037 30 10 IEEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Oc1cccc(F)c1 466147778 RBAZWTKMRHVGDW-INIZCTEOSA-N 446.504 2.181 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2nnc(C3CCCC3)o2)CC1 471096252 SBGIAZLQXWRMES-UHFFFAOYSA-N 443.529 2.065 30 10 IEEE Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1S(=O)(=O)NCC#N 475547457 LQKRLOVHXNVCJJ-FQEVSTJZSA-N 426.542 2.143 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)COc4ccc(C)cc4)CC3)cc2C1=O 499626027 MCOOGUBRMMLNOK-UHFFFAOYSA-N 447.491 2.140 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)Cc2cccc(C(=O)OC)c2)nc1C 526861187 LBPOVFAXIYLUAS-LJAQVGFWSA-N 436.511 2.468 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCN(c2ccccc2)C1=O 538268580 KICCCCSTARMYNP-VQTJNVASSA-N 437.569 2.194 30 10 IEEE CC(C)N1[C@H]2CC[C@H]1CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)CC2 539369828 LEMXDLQJGRAGBB-VABKMULXSA-N 427.568 2.482 30 10 IEEE CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 546071467 VRRVCEIPFQOIBV-UHFFFAOYSA-N 434.562 2.055 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 558982802 FIDSRCDONVXOJT-KRWDZBQOSA-N 436.520 2.008 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 572310360 ATAKONDURVYIDA-UHFFFAOYSA-N 443.979 2.265 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCn2c(nnc2C(F)(F)F)C1 677824890 CISRAFXJPRVJSA-UHFFFAOYSA-N 448.274 2.098 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 680007298 PNMJFGLSADFDID-SFHVURJKSA-N 434.500 2.092 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCOC(C)(C)C)c1 730143762 DTCBADWGKXAIBJ-LJQANCHMSA-N 444.601 2.482 30 10 IEEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 742662822 FZIQDRQGWQXEHC-UZYVYHOESA-N 436.497 2.111 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 746193222 FTQXNFBYPXVOEF-AYAKEVCGSA-N 439.447 2.498 30 10 IEEE COc1cc(Br)ccc1CCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 753188292 HMDBMFCXLCSQKH-HNENSFHCSA-N 436.306 2.423 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)C2)cc1 765262154 VCNNHYLVIHJUCK-UHFFFAOYSA-N 440.481 2.062 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c1 772278158 LWCCAZFJAVCGDJ-MRXNPFEDSA-N 430.327 2.186 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2occc2COc2cccc(C#N)c2)cc1 777343927 CMKNAGZXYPFNDU-UHFFFAOYSA-N 439.449 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)O[C@H](C#N)Cc1ccc(F)cc1F 777357173 SFVPHTLQGJQPAA-DOTOQJQBSA-N 437.443 2.458 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782417225 DVMFEDCMKYFPJV-YEJXKQKISA-N 433.509 2.303 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)n1 788609993 ARKLZHSKIPBSGJ-UHFFFAOYSA-N 445.545 2.045 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)n1 789223708 NCHDJHHMSBIECL-MJGOQNOKSA-N 433.553 2.320 30 10 IEEE C=CC[C@]1(C(=O)Oc2ccc(C(=O)NCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 791807950 CDNOZZNATWILMB-JOCHJYFZSA-N 431.489 2.153 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 809886264 VXGJCIHVCONQGE-MRXNPFEDSA-N 435.525 2.162 30 10 IEEE C#C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)c1ccc(Cl)cc1 812350762 AHCJRIFJHCBBSB-OAHLLOKOSA-N 425.876 2.135 30 10 IEEE Cc1cc(C)c(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c(C)c1 916777646 ODGJUNYINQIVRN-LJQANCHMSA-N 425.510 2.483 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3cccs3)n2N)c1 1084576189 MGRMUEZLWVPPIX-UHFFFAOYSA-N 430.519 2.189 30 10 IEEE Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1125136226 QDJXZCSPJLFHGO-CAPFRKAQSA-N 439.515 2.057 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2c3nc(Cl)ccc3N3CC[C@H]2C3)cc1 1129874063 ONBSNXMBCFXOTM-AWEZNQCLSA-N 431.905 2.166 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1130597713 ITOCYTUKLDMFTJ-UHFFFAOYSA-N 445.932 2.382 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)s1 1135925994 ABYIAFFRYADGSS-KRWDZBQOSA-N 425.551 2.313 30 10 IEEE COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1F 1147676989 WRWUOWKIRMUBOU-NSHDSACASA-N 438.408 2.455 30 10 IEEE N#CC1(CC(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)CCOCC1 1156140806 NGNOKVWVJDLBCF-UHFFFAOYSA-N 431.294 2.155 30 10 IEEE Cc1[nH]nc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1I 1163708282 UOBCAOSUZBOPLM-UHFFFAOYSA-N 433.213 2.215 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1165728323 NCKAEMZCSAVFAV-UONOGXRCSA-N 428.411 2.188 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1171440819 UJOZRBOMDFWMRU-HUUCEWRRSA-N 445.944 2.083 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)ccc1F 1171556678 HFVRQNKJHANKEQ-UHFFFAOYSA-N 433.509 2.051 30 10 IEEE C#CCC1(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)CCOCC1 1176262570 JJRDSVYXLAYZSC-UHFFFAOYSA-N 433.574 2.270 30 10 IEEE NC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(C#Cc3ccccc3)cc1)CCS2(=O)=O 1179845695 BPSBOEVIMUBAAC-ZPGVXSSASA-N 436.533 2.028 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 1213770370 DQJIEPKAYOZJRI-UHFFFAOYSA-N 443.363 2.450 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286345967 MIVCYBQFRGOJFK-UHFFFAOYSA-N 432.528 2.305 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@H](C)C1 1286346933 FFGTVNBVJXSEOQ-QGZVFWFLSA-N 429.594 2.182 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(=O)N(C)C)c1 1286438128 BJMIALPEBZRONF-UHFFFAOYSA-N 429.528 2.086 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnc(CC)s2)CC1 1286479437 TWLDJNAJGICWDP-UHFFFAOYSA-N 443.527 2.365 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)CCC)CC1 1286483782 YTJBHYIPRBXTIW-DEOSSOPVSA-N 425.577 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)N(C)C)CC1 1286494829 SXJAXILLLQDSBA-HXUWFJFHSA-N 436.604 2.369 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1286748735 ZTGRMRQRHAKHRA-SFHVURJKSA-N 426.496 2.087 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1286790669 ISWHPMHJQHIIJC-UHFFFAOYSA-N 430.528 2.253 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3OC(=O)O[C@H]3C2)cc1 1286793767 LSKOYUXLIRSMQR-ROUUACIJSA-N 441.488 2.144 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286834458 HPMJKTKWXFUNJI-QGZVFWFLSA-N 438.623 2.072 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1296228320 LTJUHFZWFAUXIS-UHFFFAOYSA-N 439.564 2.330 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCOC1 1296540718 VMWWVYZKIICOCP-OFNKIYASSA-N 441.532 2.244 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCO[C@H](C)C1 1297274822 DSSGYJVUGNTEGW-MJGOQNOKSA-N 425.537 2.223 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 1299955796 QJYFDZLZMWTHAW-BULFRSBZSA-N 441.553 2.210 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)(c2cccc3ccccc23)C1 1300128352 HLZKDXKIBZMRLI-MRXNPFEDSA-N 435.505 2.108 30 10 IEEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300340410 ZGDXISINZGTKCE-RBUKOAKNSA-N 437.610 2.226 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H]1C(C)C 1300441414 NOUPKORJLZWINS-QUCCMNQESA-N 445.589 2.326 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(CC)CC 1300466600 YPZBWMJHDKJUOK-MSOLQXFVSA-N 434.585 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300489751 RQWWAODKLDOBQU-WOJBJXKFSA-N 427.574 2.056 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1csc(-c2ccco2)n1 1300648323 FFKNEVAOAFLITB-UHFFFAOYSA-N 440.529 2.365 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1300802073 ZSXWCKIKXFNSPX-XMMPIXPASA-N 447.543 2.099 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1301439230 GEUQLJOWUDSRRS-HSZRJFAPSA-N 443.548 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301593570 PUXLPBQTBZPNOK-GASCZTMLSA-N 427.571 2.106 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(C4CCC4)no3)CC2)cc1 1302550888 FVLPBCRXMUTSOK-UHFFFAOYSA-N 428.514 2.268 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1302989983 XMRQJFIDXFWLTI-INIZCTEOSA-N 440.458 2.451 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@@H](C(F)(F)F)O1 1305153401 CHEVVKRQHDJQOE-WQVCFCJDSA-N 434.422 2.251 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1309379341 AQYCMAJJQGCSID-UHFFFAOYSA-N 441.229 2.077 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCn3nc(C(F)(F)F)cc3C2)C1 1312469794 LYMJDHLLJAWCQT-WCQYABFASA-N 428.415 2.186 30 10 IEEE COCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1316018969 MJCYQMACYLDAPG-SFHVURJKSA-N 447.547 2.067 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1354242065 FIILTKBKXZSPDP-XLIONFOSSA-N 437.562 2.083 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1358920473 ZSLXJOADPCNBNO-LJQANCHMSA-N 444.605 2.245 30 10 IEEE C#CCCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1358936754 WXQVDHBCEIJILB-QFIPXVFZSA-N 428.512 2.204 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CC[C@H](O)C1 1358951274 PQFVLRVOMXIONL-NRFANRHFSA-N 436.585 2.318 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1359037522 MMXPAGWSGAVXDV-QFIPXVFZSA-N 428.625 2.003 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCC2)CC1 1359048199 IPDCEVGDTZMFME-UHFFFAOYSA-N 439.589 2.356 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359227107 SVWYAABFGRACIY-INIZCTEOSA-N 431.497 2.321 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359297154 HJANXWGIUITWIR-UHFFFAOYSA-N 434.500 2.222 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1359302770 SPJBRHFQDBSSOI-IBGZPJMESA-N 448.527 2.232 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)C1 1359319878 HQXZZJTUTCTVPA-RBUKOAKNSA-N 427.553 2.220 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1 1437447213 WMAAFIHENITHKE-UHFFFAOYSA-N 448.585 2.173 30 10 IEEE COc1ccc(Cn2nnc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2C)cc1 1456272375 DEYMDJKQUISBGO-OAQYLSRUSA-N 430.512 2.494 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)nc1 1471983895 KPNVAXLOVPDZCZ-UXHICEINSA-N 432.528 2.372 30 10 IEEE CNc1cnn(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c(=O)c1Cl 1473057483 BDGYEGWDTZKUDQ-ZDUSSCGKSA-N 444.923 2.308 30 10 IEEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1475545520 ZNPNJZWMDWZAMX-ZDUSSCGKSA-N 429.336 2.431 30 10 IEEE Cc1noc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1 1493101582 JFWVHODVRMCENL-MOPGFXCFSA-N 448.531 2.484 30 10 IEEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1493777429 DJFWRGJCEWYVAS-QGZVFWFLSA-N 438.532 2.247 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507627077 IJPZXSRVBCVVAT-MJGOQNOKSA-N 444.557 2.007 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507681402 XOXLHTFTDKLJHF-OAQYLSRUSA-N 438.576 2.356 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCOC1 1507706825 OXDHLGQSSBLGNG-KRWDZBQOSA-N 441.351 2.007 30 10 IEEE C#CCSCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1507758712 RUFRVLODTZHYOZ-KRWDZBQOSA-N 448.511 2.190 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1507772254 IKBNMKWDOJCJFN-NJNPRVFISA-N 449.621 2.429 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507884963 ONDUFPWYUVQPJI-HZPDHXFCSA-N 447.527 2.221 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507885560 GDOKSSXRPWFHSP-GOSISDBHSA-N 445.589 2.315 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c(c2)CCO3)C1 1508108575 HSRFOEHFAUKLLO-IBGZPJMESA-N 425.533 2.375 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508111869 KMRZKIDPCRPIQZ-MOPGFXCFSA-N 445.589 2.459 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1510279596 CLNDWFQQUHQOFK-RLFYNMQTSA-N 442.495 2.201 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCC(C)(C)O)o1 1510817038 FKPZCGTUFPZQFB-HNNXBMFYSA-N 436.520 2.384 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C[C@H](C)O1 1512499459 NOWNSPZXCDNOJQ-ROUUACIJSA-N 442.589 2.391 30 10 IEEE CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1514156960 MXRJJJZVFDVAHR-JUQVVLDHSA-N 428.537 2.466 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1515364292 AUUYGYKKWAEGTI-QGZVFWFLSA-N 438.550 2.140 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 1526039498 XKEAYBFYDAOVKB-QZTJIDSGSA-N 442.537 2.427 30 10 IEEE N#Cc1ccccc1-c1ccccc1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1534499311 JFUIEGFVOXTSNJ-UHFFFAOYSA-N 426.476 2.388 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)CC2)cc1 1534877310 LGLCEFXSAZPGPU-UHFFFAOYSA-N 441.394 2.254 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1535347487 UQEDLIXBTRDTRI-DOMZBBRYSA-N 432.336 2.483 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1535347488 UQEDLIXBTRDTRI-IUODEOHRSA-N 432.336 2.483 30 10 IEEE N#C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1cccc(Br)c1 1537417813 BIHNDJVGNAVITJ-JKSUJKDBSA-N 427.258 2.271 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1539013555 NHMWBTJJPDKNNA-QGZVFWFLSA-N 444.543 2.057 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1539079436 TXFYRHIBXHXWND-UHFFFAOYSA-N 428.562 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1539336815 HGTWHUYZHVAOJM-JOCHJYFZSA-N 425.920 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1539409095 NZASBJHUQMCKBH-SFHVURJKSA-N 448.527 2.106 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1539539768 YMFSURRZBNANFE-LAUBAEHRSA-N 431.562 2.268 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1539659280 QDIFBACKVFFGRA-INIZCTEOSA-N 440.504 2.107 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540012079 AMQKGLQWNBQZQK-IBGZPJMESA-N 443.621 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCC(=O)NC 1540864656 HJSXJNXGSLDJAH-UHFFFAOYSA-N 430.578 2.150 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1554296858 DTRKYVQTCMPAKU-IBGZPJMESA-N 439.545 2.117 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1554568471 RGPBMUNENRSZNR-WMZOPIPTSA-N 426.477 2.127 30 10 IEEE N#CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C(F)(F)F 1558443591 ZLVRIODHOXOYFG-YPMHNXCESA-N 439.481 2.248 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1566543573 GFQRYUHKCIFJHC-GJZGRUSLSA-N 449.943 2.197 30 10 IEEE O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1cccc(C#CCO)c1 1569128144 GWZWQBQNAMVWSU-UHFFFAOYSA-N 433.552 2.132 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2COC[C@H]2O)ccc1Cl 1569143041 RSKJTFUPLUPWIG-QZTJIDSGSA-N 436.917 2.211 30 10 IEEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCN(CCC(F)(F)F)CC1 1570295124 HRDUSKREIBZNFA-UHFFFAOYSA-N 431.480 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1587598626 CZYUSWDRBNNUAG-CVEARBPZSA-N 432.546 2.245 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588045815 RDEHYGMMUWCPNC-GCJKJVERSA-N 445.589 2.154 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1588050803 VDTUGZABJBQYFF-MRXNPFEDSA-N 443.504 2.096 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588074732 QKJLIZJTXWNREB-CRAIPNDOSA-N 434.587 2.429 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](OC)C(F)(F)F 1588088882 BJRVNKUFOYEMRX-LPHOPBHVSA-N 428.455 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1588198339 PFVCVRFNTKSITC-UHFFFAOYSA-N 440.356 2.264 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCC(OC)CC2)CCCC1 1588433613 QQXGQARZJSQPRD-UHFFFAOYSA-N 442.608 2.284 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 1594733105 NERBRIOXGKIYFB-IBGZPJMESA-N 449.577 2.222 30 10 IEEE Cc1csc(C[C@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1596399430 BSVYWJGQHBOSBO-NVXWUHKLSA-N 432.571 2.471 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1596821562 DBVHTGGKCHXZJU-AEFFLSMTSA-N 446.577 2.067 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CCO2)cc1 1598186214 QYVIXOGVEJICIZ-PCCBWWKXSA-N 439.512 2.440 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1615209240 BZBSYOZPJWUQJN-WOJBJXKFSA-N 442.589 2.170 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)cc1OC 1619207509 HDHRPALOXRKQEX-CQSZACIVSA-N 436.472 2.142 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CC1CCN(C(=O)OC)CC1 1619911627 AVHLGNZQQMIRSA-UHFFFAOYSA-N 427.509 2.185 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1 1620384912 HYURIMWFKQZCKX-SYLQMPFCSA-N 443.458 2.348 30 10 IEEE C[C@@]1(C#N)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 1626948397 NMCUTIGSXHVLJN-RDTXWAMCSA-N 425.272 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 1627277832 PQVBTSHTOOAFPB-KRWDZBQOSA-N 433.530 2.088 30 10 IEEE C=CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1628821196 XEFHROCLOMOPTL-FQEVSTJZSA-N 447.601 2.423 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)c1 1629804483 WKMGHWAZHNEENL-INIZCTEOSA-N 427.309 2.368 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)ccc1F 1638272331 GBERRISLWQBHHW-UHFFFAOYSA-N 447.517 2.075 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCc1cc(F)c(C#N)c(F)c1 1639271733 XJHZGKOZXDIHCK-VDODNRGGSA-N 441.356 2.438 30 10 IEEE C[C@]1(C#N)CCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1641104137 MIZSHNVPBYYCGO-VGOFRKELSA-N 439.541 2.485 30 10 IEEE CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1641514274 GEAQTWMHJVDGJM-LJQANCHMSA-N 431.489 2.354 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1643682728 YWZGCIVRLFRCLM-PKTZIBPZSA-N 425.554 2.307 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](CC#N)C2)C1 1645301323 UMTJXYLGAUXQDM-KSFYIVLOSA-N 437.537 2.486 30 10 IEEE C#CCN(CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 1648318184 MLSZDZXPOWUZNC-FQEVSTJZSA-N 427.545 2.441 30 10 IEEE C#CCN1CCC(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 1652173585 VAZKAFVJZLXHFI-UHFFFAOYSA-N 427.526 2.323 30 10 IEEE N#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C(F)(F)F 1652244265 LFINIPJKRTUNFV-LLVKDONJSA-N 428.230 2.078 30 10 IEEE Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039159 KCWRXEFFSAYOPA-NXEZZACHSA-N 434.283 2.492 30 10 IEEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1CCN(c2cnccc2C#N)CC1 1668524419 AUNNAAVQJLMNHP-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE COC(=O)[C@H]1CCc2sc(NC(=O)N3CCN(c4cnccc4C#N)CC3)nc2C1 1672461207 DRAJTYJDIQGLTI-ZDUSSCGKSA-N 426.502 2.042 30 10 IEEE C#C[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 1682348585 IFQCNUGLCKAELU-FUHWJXTLSA-N 430.480 2.019 30 10 IEEE COc1cc(OC)c(C[C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 1682663665 XMGHWHQAFXOCNY-MRXNPFEDSA-N 439.516 2.442 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)C1 1685050622 KPUSBWGYIXSQRC-RBUKOAKNSA-N 434.581 2.189 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1=O 1687389450 USTHDBGKRXXOIE-IBGZPJMESA-N 442.516 2.054 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2CC(F)(F)C2)c1 1689870109 BUZAMIUTICLUIC-QGZVFWFLSA-N 442.470 2.331 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC[C@@H]2C)n1 1690109376 PFRSDILXVBBKEY-RBUKOAKNSA-N 437.548 2.429 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690336226 YNRLVZCTMCJBGP-UHFFFAOYSA-N 442.951 2.187 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC)C1CC1 1690544817 BSHDABMTHJNWDA-HNNXBMFYSA-N 432.594 2.242 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(c2ccnn2C)CC1 1690722729 TZDTWVBOULCBOV-UHFFFAOYSA-N 441.561 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690722921 ASLLLORHPHZIBB-UHFFFAOYSA-N 429.590 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](c3nnc4n3CCC4)C2)nnc1C(C)(C)C 1690731868 SDMGPEDOZWUFTH-INIZCTEOSA-N 447.609 2.098 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1691480099 DKVJSWWVYLIZKT-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1695895599 NVYFNQUBQMOTKN-UGKGYDQZSA-N 433.576 2.379 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC2CCOCC2)cc1 1697493258 HQBCNTGGQJLDLK-FQEVSTJZSA-N 427.505 2.411 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)OCCO2 1698230807 MVYZDWHZGDUICF-KNBMTAEXSA-N 427.505 2.417 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1698255528 UDMSHURCRVGXGL-SWMXPCKBSA-N 446.596 2.241 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC=C(Br)C3)n2CCCn2cnnn2)c1 1698485088 SSFODNOQRAXEKH-UHFFFAOYSA-N 440.309 2.382 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(C2CC2)C1 1705481138 AKPCQZRIZLHNFH-IAGOWNOFSA-N 427.574 2.291 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1705503342 VAQWTIBJUBDFPI-FOIQADDNSA-N 448.365 2.144 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705525553 MVPGZRZQKRBRHA-CYBMUJFWSA-N 426.340 2.072 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705563466 YETFCQMDPDKOBM-HXUWFJFHSA-N 441.557 2.259 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705573798 OEXSSPSJYQIVRU-MOPGFXCFSA-N 445.564 2.474 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(NC(C)=O)c1 1705585054 IYZATFIOCKAVJZ-UHFFFAOYSA-N 446.536 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2nccnc2C)CC1 1705646142 ADHCALGBVZWDAX-UHFFFAOYSA-N 433.516 2.153 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC1 1705694347 AMODVLNPJGDGCR-IEBWSBKVSA-N 432.546 2.166 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705734626 VXRPTFOBVSAWSV-UHFFFAOYSA-N 427.553 2.253 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705738735 INKZTXFNSGRUPE-QHCPKHFHSA-N 426.565 2.158 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(COC)cc2)CC1 1705781059 OIOLQQNPEPVVMV-MRXNPFEDSA-N 433.578 2.485 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705831412 QHLHVZLJWKLHNZ-UHFFFAOYSA-N 436.516 2.412 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1705869201 OVWOQIXYYTUQKE-UHFFFAOYSA-N 433.520 2.470 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1705946417 HGOQZQCYASQMQG-QGZVFWFLSA-N 443.639 2.301 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1710298440 HHWOLKHLCAZYIN-HXUWFJFHSA-N 443.983 2.355 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1722294817 HZUYCNUXRCWRQH-DOTOQJQBSA-N 425.514 2.341 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ncccc2F)CC1 1722319114 VNMXRTNKQUWMGP-UHFFFAOYSA-N 439.539 2.455 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1CC1(N2CCOCC2)CC(OCC)C1 1722354571 UUXOHLIGJWRHKV-UHFFFAOYSA-N 429.590 2.270 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1722366513 RDZNBHIRHDOHEE-SFHVURJKSA-N 445.614 2.176 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1722457123 QKEFNIZOIXWGQU-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722624520 DWFQGXUEZDTDSS-UHFFFAOYSA-N 435.532 2.433 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722698504 GGDLSUUEGFGIMH-WOJBJXKFSA-N 430.597 2.177 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(C)(C)O)c2)C1 1722709468 QTFJXKYONZUIIB-LJQANCHMSA-N 427.549 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1722727963 MFPPAAWGBJQLJI-UHFFFAOYSA-N 437.532 2.152 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nccs2)C1 1722743148 RSOOLQSRTHDIBQ-OAHLLOKOSA-N 434.591 2.354 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1723777457 FLZUXVMRFZRXAW-OAHLLOKOSA-N 428.518 2.044 30 10 IEEE Cc1coc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1725014937 IJKUDPXAUVTXNR-UHFFFAOYSA-N 434.500 2.370 30 10 IEEE CCN(C)C(=O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1728267732 GBUDAFUCBMKDON-UHFFFAOYSA-N 427.528 2.391 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1730536620 BPIDFWCRTDTFNO-IBGZPJMESA-N 435.488 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740552892 YJQMYGNSXPANDH-WBVHZDCISA-N 428.537 2.254 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1740619349 HXNLOUCQWYEUPS-QGZVFWFLSA-N 434.949 2.262 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1740696460 VAFUBLZSANWMPQ-XZOQPEGZSA-N 436.604 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(OC)nc2)CC1 1740697429 DLMGBWWCLIPUPQ-UHFFFAOYSA-N 433.472 2.060 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1740731846 JKSSSFJLFVDMFD-GHTZIAJQSA-N 430.578 2.076 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1741885004 FHCDKDNNIRYMLQ-CVEARBPZSA-N 430.578 2.169 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C[C@@H](C)O1 1743320498 WBKNYTSTBZGBOF-IAGOWNOFSA-N 440.504 2.185 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1748664242 FGYDZBJVHTYABA-GCJKJVERSA-N 426.590 2.314 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1748730781 SQSUCBXIYCTQFW-GOSISDBHSA-N 428.581 2.306 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(Cn2cccn2)c1 1748874778 DXZUAYDXCVLDOC-GOTSBHOMSA-N 444.539 2.368 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(C)(C)O)c2)CC1 1748993754 KTCCJAILQUTCIT-UHFFFAOYSA-N 430.556 2.295 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@]1(OCC)CCOC1 1749048646 SNDUVWSEYIRXHN-GCJKJVERSA-N 444.605 2.414 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(N)=O)CC1 1749115769 VXVPZQGHHYKDQZ-FXAWDEMLSA-N 446.596 2.270 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)NC 1749551285 VDBZJUUIESXFMW-UHFFFAOYSA-N 432.575 2.452 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1C 1751551974 FYWJWGJSTRRESD-WMZOPIPTSA-N 439.520 2.201 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1760118604 IZZJCPICCQEAOM-QGZVFWFLSA-N 442.589 2.480 30 10 IEEE C#CCCCn1c(N(C)Cc2cccc(C(N)=O)c2)nnc1[C@@]1(OC(C)C)CCOC1 1760159767 PAADKMOAUGIXQC-HSZRJFAPSA-N 425.533 2.467 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760185401 WUBOPEMVTNTUFJ-XBMUEBEBSA-N 445.589 2.116 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)O)n1 1760252295 MSIDCIXBSQBAFX-UHFFFAOYSA-N 443.939 2.247 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(N)=O)CC1 1760273664 BIHDGOZFMHIYJO-UHFFFAOYSA-N 429.546 2.030 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760277212 DFMIIIUCLJZUME-AEFFLSMTSA-N 444.513 2.443 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br)C1CC1 1760473994 KNQXCXPMSNEIMX-SNVBAGLBSA-N 425.299 2.323 30 10 IEEE C[C@H](CN1CCCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1761433190 DWDCSPJBMNOKJA-QUCCMNQESA-N 448.637 2.432 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1)OC 1763441416 ALLWENNKVFZDFE-PXNSSMCTSA-N 440.548 2.173 30 10 IEEE CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1764256560 WUJIBXAXVGZUOQ-RBUKOAKNSA-N 425.537 2.190 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nccn1C(F)F 1766407437 KYJBSTNWSXLJAA-UHFFFAOYSA-N 443.462 2.048 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1767063994 RMZKUNMTQQHAAX-OALUTQOASA-N 427.530 2.033 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCn2ccnc21 1767783920 LVFCROYLGUDVOW-SFHVURJKSA-N 448.531 2.075 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1768438414 WYNLSCRARHRAQF-LJQANCHMSA-N 433.520 2.118 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1768980064 PWAKDUXKZIQARE-GOSISDBHSA-N 429.546 2.399 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)n(C)c1=O 1769842663 XVLUQRTWSZVNFK-UHFFFAOYSA-N 441.923 2.415 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)c(OC)c1 1770216769 HFEYPJIFXPFCHF-BJLQDIEVSA-N 427.505 2.096 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(F)c(F)c1 1771304874 MLCXRJYMJUFCBP-FCEWJHQRSA-N 433.459 2.252 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Br)n2)C1 1771530897 WQSGOCFSYRKOJL-SFHVURJKSA-N 448.300 2.048 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCOCC(F)F)c1 1771531386 MQYXPLATJVKUTE-UHFFFAOYSA-N 426.418 2.486 30 10 IEEE Cc1nccn1Cc1ccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1851172975 KXCXVFVSWFEZMT-UHFFFAOYSA-N 430.512 2.486 30 10 IEEE COc1ccc2nc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc(OC)c2c1 1852208367 FSJMNURBMNVFJD-UHFFFAOYSA-N 447.495 2.498 30 10 IEEE Cc1cnc(C(F)(F)F)c(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1 1854580107 UIOANKAXZPKVCT-CYBMUJFWSA-N 441.387 2.442 30 10 IEEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc(OC)c1OC 1860724779 RXZISFVXQCZMLX-FNORWQNLSA-N 426.425 2.289 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)c1 1862556143 PSBOMBWZDVRTFE-OAQYLSRUSA-N 437.496 2.275 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(=O)O)cc1 1862757900 RXAODVSWPBXITI-PIGZYNQJSA-N 426.381 2.252 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866866247 GEUCMRZOMQJNAX-RTBURBONSA-N 437.525 2.012 30 10 IEEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CSc1nnnn1C 1870255162 IJMYQOBBVHHSTC-HNNXBMFYSA-N 440.529 2.106 30 10 IEEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(CO)CC2)cc1=O 1870561251 FMLUTNWQRQSAEH-QHCPKHFHSA-N 439.556 2.073 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N[C@H](CS)C(=O)O)cc1Br 1882729040 IBTHGQUGTWGIKT-MRVPVSSYSA-N 433.143 2.181 30 10 IEEE CC(C)c1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890188693 CKDFSGGCMQAARU-UHFFFAOYSA-N 427.589 2.447 30 10 IEEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1890692048 OYDUSKFVVSEBSJ-HXUWFJFHSA-N 437.993 2.489 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(COc2ncccc2C#N)CC1 1891143584 FJTOVAVKBXKRFU-KRWDZBQOSA-N 425.514 2.173 30 10 IEEE C=CCC1(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2014235989 NOUZFRMFPWOVBV-HOTGVXAUSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2223265228 ULILWIOWWLYINE-OAHLLOKOSA-N 439.362 2.230 30 10 IEEE Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2224095551 DKUMGKLECMLRHV-KBPBESRZSA-N 425.260 2.431 30 10 IEEE Cc1cnc(N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224123734 IHYHJXCUFBKVMN-OAHLLOKOSA-N 433.358 2.471 30 10 IEEE C=C(CS(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2243435428 QCICXUKPYLVKMD-UHFFFAOYSA-N 430.376 2.447 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2249036889 LFEANULDHXZYRT-HOTGVXAUSA-N 442.557 2.308 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255597522 QZLOWBBEURDRDR-CQSZACIVSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255636928 BJAGSNXTWDNGPI-BTTYYORXSA-N 449.382 2.285 30 10 IEEE CC1(C)OB(c2cccc(CS(=O)(=O)NCCNOCc3ccccc3)c2)OC1(C)C 2255799343 GWOZUMDORBFXME-UHFFFAOYSA-N 446.378 2.127 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255827160 VTWNKYSXHZXVCN-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843990 OSSSDJNRFKUJAM-HNNXBMFYSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256626172 GWGCUOAZOCGOOQ-UHFFFAOYSA-N 439.268 2.417 30 10 IEEE C[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@H]1NC(=O)C(F)(F)F 2256889129 AKLFBJGDCCUBRS-BXUZGUMPSA-N 431.239 2.413 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)cc2F)OC1(C)C 2266980988 FLIABHUAIQHQLL-QWHCGFSZSA-N 442.218 2.113 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267100330 SNQRQAZWPJBVKM-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1(CNC(=O)OC(C)(C)C)CCC1 2267169539 YYLXGMABOFWPCK-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267179641 SRIYGMULHRGNCV-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267267431 XEFRRZCPQCAXJI-LSDHHAIUSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267516933 LHLYDYQUODUYKX-BPUTZDHNSA-N 446.357 2.227 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 2267524445 QCEKUVGMZXRHRP-YLJYHZDGSA-N 438.381 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2303147758 QJUYZGIUGLAUGV-KGLIPLIRSA-N 428.310 2.001 30 10 IEEE COC(=O)c1ccc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329045157 PQYZUBVNPROMDG-QGZVFWFLSA-N 445.545 2.146 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1[N+](=O)[O-] 2331271499 QWHJSGZSDDXAHV-UHFFFAOYSA-N 447.502 2.445 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(C#N)cc1Br 2335436139 QEBBYWXTCNNLBA-ZDUSSCGKSA-N 446.323 2.197 30 10 IEEE Cc1cc(C)c(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1C 1926228 PFMVEAOPOISSIW-IJDFDPMZSA-N 442.537 2.157 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)c2ccc(OC)c(OC)c2)n1N 21319625 OMTBOPFKXZECDE-SSDVNMTOSA-N 442.501 2.439 30 10 IEEE CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 117614864 TYPHMDLHGCGITN-LJQANCHMSA-N 426.496 2.161 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H](C)/C(N)=N/O)cc1Br 155815172 WXMKAOQPMKQSJW-SSDOTTSWSA-N 429.134 2.275 30 10 IEEE CC[C@@H](NC(=O)c1cc(Br)ccc1I)/C(N)=N/O 233894144 YICCPNDYPNGJEM-SECBINFHSA-N 426.052 2.309 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 437550508 YLFFLLMIWKIHQJ-UHFFFAOYSA-N 444.373 2.966 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)cc1 438892045 DYUORBLWUYLMER-UHFFFAOYSA-N 441.509 2.190 30 10 IEEE C=CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 448371729 BJGFDFUUJGLZGD-UHFFFAOYSA-N 436.578 2.338 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 460933457 QCRSIWOZEWYTBF-UHFFFAOYSA-N 428.585 2.218 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 462568072 XJAXVXJFXPTCNH-UHFFFAOYSA-N 428.464 2.413 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4cc(OC)cc(OC)c4)CC3)cc2C1=O 474732875 NJHLWWRIGBZTLD-UHFFFAOYSA-N 449.507 2.444 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C#N)CCOCC2)C1=O 475586832 MODMQECXCTWCJX-ZWKOTPCHSA-N 427.501 2.107 30 10 IEEE N#CC1(NC(=O)CCN2CCN(c3ccccn3)CC2)CCN(Cc2ccccc2)CC1 482700101 ZQKISZMHPQBMQV-UHFFFAOYSA-N 432.572 2.268 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 490495473 IQZOLERCXLLWKA-UHFFFAOYSA-N 427.530 2.327 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@H](NC(N)=O)c2cccs2)cc1 502442585 QDKDJPJFFOCYSU-LSDHHAIUSA-N 429.527 2.259 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)cc1 503702550 ISWXQEXYXXKWLJ-GOSISDBHSA-N 444.476 2.201 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O[C@H]2CCCCO2)cc1 504397148 HTUDKBKUGBIVNY-LTFXXXRZSA-N 428.503 2.489 30 10 IEEE C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CSCC(=O)O 504720359 QRLZYWAWVZEQOG-ZVOJYPBASA-N 434.554 2.383 30 10 IEEE CCOC(=O)c1cnc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)s1 506729265 DZQLGSYWMFGMID-HXUWFJFHSA-N 436.534 2.230 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1ccn(-c2ccc(F)cc2)n1 506910908 VPZLKKRIXKMOBT-UHFFFAOYSA-N 425.449 2.220 30 10 IEEE C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1ccc(C(=O)OC)cn1 506925258 DLKSITXEKOMUNR-UHFFFAOYSA-N 428.470 2.295 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@@H](C(=O)C3CC3)C1)CCCC2 514220905 CWUMMVPRRBBDTM-DYESRHJHSA-N 440.544 2.036 30 10 IEEE Cc1c(NC(=O)N2CCN(c3ncccc3C#N)CC2)cccc1S(=O)(=O)NC1CC1 525449486 IFGBLQBKAUMPEQ-UHFFFAOYSA-N 440.529 2.057 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2cccc(Br)c2)C(=O)O)ccc1F 527322170 BAVWIFAQMAHUGY-HNNXBMFYSA-N 427.251 2.434 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 553062714 GFNZOTWXDOLYNE-ROUUACIJSA-N 428.539 2.129 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 553560800 VPEYQHNNKSXNFC-MLGOLLRUSA-N 429.336 2.167 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 562213999 QSXLCEQEZOFNOJ-UHFFFAOYSA-N 444.451 2.249 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 563648542 DVPBTVXJWHFMSK-IBGZPJMESA-N 435.480 2.358 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(-n2cncn2)cc1 611433234 USYDBOOSUCVCAO-YLJYHZDGSA-N 435.557 2.388 30 10 IEEE CN1CCN(S(=O)(=O)c2cc(OC(C)(C)C)ccc2B2OC(C)(C)C(C)(C)O2)CC1 725436319 FFLTXFIJOSTJLR-UHFFFAOYSA-N 438.399 2.099 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 729184941 YEUWTZYCZRUCHV-QGZVFWFLSA-N 449.941 2.373 30 10 IEEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2ccccc2c1 730137064 CAQDCQIPAYQSTE-LJQANCHMSA-N 428.558 2.486 30 10 IEEE CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 730309943 KCJMAWPORORDEQ-KRWDZBQOSA-N 444.513 2.411 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732651135 XICHRZPKTSMFJZ-FQEVSTJZSA-N 430.574 2.452 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1OC 734452648 JROUFXCALZIXSR-OAQYLSRUSA-N 446.592 2.463 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 747237333 IGBGNLMMMSHILL-FLIBITNWSA-N 425.510 2.251 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)cc1C#N 747498747 QQYIUFGHADBKMI-UHFFFAOYSA-N 445.479 2.207 30 10 IEEE CN=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1c[nH]c(C(=O)OC)c1 753358775 LWPSQXDMAHJQSZ-NSHDSACASA-N 425.470 2.463 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754786762 PQKTYLPBTJXJJA-LLVKDONJSA-N 434.271 2.465 30 10 IEEE O=C(O)C#CCNC(=O)[C@H]1OCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 757473494 FPBJKYAUCIUYQF-MWTRTKDXSA-N 448.475 2.134 30 10 IEEE CSCC[C@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760402282 RTZILCMXBVYUOH-KRWDZBQOSA-N 437.587 2.458 30 10 IEEE CS(=O)(=O)c1ccc(-c2nc(CS(=O)(=O)C[C@@H](O)c3ccc(C#N)cc3)co2)cc1 761221102 WRTXVABDACPUAY-LJQANCHMSA-N 446.506 2.265 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)CC(C)(C)S(C)(=O)=O)nc12 763319287 OFELRQXRBDFMRM-UHFFFAOYSA-N 435.575 2.079 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(CCC#N)Cc2ccccn2)C1=O 771464748 SNYRFSPPOMASHM-HSZRJFAPSA-N 435.484 2.108 30 10 IEEE COC(=O)c1ccc(-c2nc(CON=C(N)c3ccc(S(C)(=O)=O)cc3)co2)cc1 782322587 MFQHMNMMTCBMPN-UHFFFAOYSA-N 429.454 2.369 30 10 IEEE Cc1cc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)ccc1F 787055729 CCKDCWDDVKOBMT-YJBOKZPZSA-N 438.415 2.421 30 10 IEEE C=CC[C@]1(C(=O)NCCNS(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 790805396 MGKIIQPITVXGFG-LJQANCHMSA-N 443.591 2.488 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2ccc(C#N)c(OC)c2)C1=O 809944250 TYOWULNSVDCFQO-QGZVFWFLSA-N 439.497 2.238 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(F)cc1 812934844 QJSBWVZGEAQUIH-HXUWFJFHSA-N 431.489 2.225 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 813710370 GGVHBXFLARDRRK-GHTZIAJQSA-N 448.516 2.477 30 10 IEEE Cc1nccnc1CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 814711638 QANUCWLEMBVTHD-QGZVFWFLSA-N 446.602 2.089 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)cc1 1084629551 DLSUOMCAIHEXPL-UHFFFAOYSA-N 428.522 2.445 30 10 IEEE C=CCN(C(=O)c1cc(Br)c(Br)[nH]1)[C@@H]1CCS(=O)(=O)C1 1136358200 JDFMCMZIVKNYAY-MRVPVSSYSA-N 426.130 2.355 30 10 IEEE C=CCC[C@@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1140627284 RJYVXGYOTQPZNX-PZJWPPBQSA-N 432.517 2.385 30 10 IEEE C#CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCN(C)CC1 1156647871 XDNKHMJHJGYVJY-UHFFFAOYSA-N 431.602 2.180 30 10 IEEE Cn1cc([C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C2(CO)CCC2)cn1 1159196230 VYSRKXOPUVOMNL-GOSISDBHSA-N 433.306 2.453 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2c(C)cc(C)nc2OCc2ccccc2)c1=O 1165303358 LMGWDSAXKRCBIV-UHFFFAOYSA-N 434.496 2.183 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)cc1 1190446566 ORWARTOWLXCWTI-UHFFFAOYSA-N 441.278 2.178 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](CO)c2ccc(OC)cc2)cc1 1214687403 POLBDOVSVNGRTD-QGZVFWFLSA-N 433.530 2.399 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccnc(F)c3)CC2)cc1 1214687949 VBHWMRGPFXSGEB-UHFFFAOYSA-N 433.509 2.381 30 10 IEEE C#C[C@H](NC(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1)C1CCOCC1 1253347296 BXSGOABXRGIWFN-GGPKGHCWSA-N 430.549 2.305 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCN(C(C)=O)CC1 1286300552 BFQMYRGHWUWKBY-FQEVSTJZSA-N 438.576 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2c(C)noc2C)CC1 1286490540 XMZDXROIVBBYPQ-UHFFFAOYSA-N 433.516 2.153 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286704040 XILSLJLNEKELER-MRXNPFEDSA-N 429.525 2.451 30 10 IEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1)C1CC1 1286738339 SWQKKTFWQFRJLB-UHFFFAOYSA-N 443.556 2.119 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286789599 GCLWNCFDLKITAM-CTNGQTDRSA-N 439.560 2.379 30 10 IEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1286830917 WOUHXCWDFJMIFG-UHFFFAOYSA-N 432.569 2.262 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286835125 QXMOQLZKIAQKKQ-HNNXBMFYSA-N 446.543 2.393 30 10 IEEE CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1287159530 CFEVLWNUZKLOOK-RBUKOAKNSA-N 430.578 2.016 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1288506496 FOXFISCOPRYAAZ-GOSISDBHSA-N 437.548 2.137 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOC1CCCC1 1288842268 YAHINVQOVYDIKU-JXFKEZNVSA-N 438.598 2.368 30 10 IEEE Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290809207 OJVNKDAXPUPJEQ-QURGRASLSA-N 436.516 2.299 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1290985137 FBSBZYGPRQCPJB-NVXWUHKLSA-N 426.546 2.149 30 10 IEEE CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1291443516 AUDJWQWABMVMOG-MRXNPFEDSA-N 431.562 2.239 30 10 IEEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1296270933 QQMJCHOVODGUNB-SPEDKVCISA-N 444.580 2.439 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1300340364 XZQBQNOEQHJKJD-GOSISDBHSA-N 426.521 2.359 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1300504970 WSRBOBVJLAIZRY-IBGZPJMESA-N 440.525 2.434 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1300716491 MTVNWRUKHOFSPW-UHFFFAOYSA-N 442.564 2.120 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300843828 JXKRSIIOBONHRR-JKSUJKDBSA-N 426.359 2.385 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1302148883 WEKVYHOKHPDAPH-OAQYLSRUSA-N 435.532 2.425 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1303751191 HSKOOFMRAJFIRO-KKSFZXQISA-N 445.568 2.443 30 10 IEEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)[C@@H](C)COC 1310961670 WZBRKLQAAZEZJG-INIZCTEOSA-N 425.551 2.325 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(F)(F)Br)CCOC1 1314115356 ZAZWHZWJTNFWDS-KBPBESRZSA-N 438.248 2.360 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1314992290 BJHAXTUXCUOVRD-QGZVFWFLSA-N 435.488 2.036 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nnc(C)s1 1316285899 VSYHQNFSIYPAFG-QOKNQOGYSA-N 435.529 2.237 30 10 IEEE CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1351834073 HQZXQDUEBSTYLE-RDJZCZTQSA-N 437.949 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(Cc2ccccc2)c1 1358984230 NEAKPXCHBAHZRU-UHFFFAOYSA-N 441.539 2.270 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1359010777 ZAOPOWPOIUTHDJ-ROUUACIJSA-N 445.564 2.305 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1nc(C(F)(F)F)cs1 1359018507 SHCTZMOATCASSO-UHFFFAOYSA-N 444.483 2.220 30 10 IEEE C=CCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290452 BKVLDOUATSXWOF-HXUWFJFHSA-N 433.582 2.245 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1438199481 UDNNRAHSLJGUKO-INIZCTEOSA-N 445.317 2.112 30 10 IEEE CSc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1C#N 1439245724 KLBUPGKELINYCO-UHFFFAOYSA-N 437.568 2.293 30 10 IEEE Cn1c(S)nnc1CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1443660531 CJVPRHBZLGLASU-QGZVFWFLSA-N 442.545 2.169 30 10 IEEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1444158424 VSOXOYQIWTYLKF-SFHVURJKSA-N 429.517 2.078 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)s1 1444851687 NWNYJZUUGLXRTG-PBHICJAKSA-N 433.555 2.065 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H]3CN3CCOCC3)C2)C1 1444985763 FVPVJAVGKJGVLL-FSTYKVKCSA-N 432.565 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc(-c4ccccn4)n[nH]3)C2)C1 1449561690 CNHXXLGMBPLVNT-HVPFBLEYSA-N 437.504 2.270 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@]3(C(=O)OC(C)(C)C)CCOC3)C2)C1 1452948726 ATQUHRMKJMMSFR-GXQYLOPQSA-N 449.548 2.390 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1454871664 XQNGWNSGFLXGPO-UHFFFAOYSA-N 428.489 2.124 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1455477587 WILWOPUUVHOUHJ-AOMKIAJQSA-N 429.521 2.064 30 10 IEEE N#C[C@]12CN(C(=O)[C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1463165706 YFOSQGWNLHWKLO-PAXLWEDBSA-N 432.448 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NCCNc3ncccc3C#N)=NO2)C1 1464504805 GPOGNLPAPJDNJK-OAQYLSRUSA-N 428.493 2.027 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1464970849 RTEQHYXRYLUBHP-GOSISDBHSA-N 431.489 2.384 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)C1 1469544951 LHAPAJKQFHKAPC-YADARESESA-N 437.544 2.486 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C3CCC2(CNC(=O)OC(C)(C)C)CC3)c1 1470975414 XHAHVRMRJJFVFK-UHFFFAOYSA-N 447.557 2.260 30 10 IEEE C#CCC1(O)CCN(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC1 1473748478 ZFGRWHGDZGDWHR-UHFFFAOYSA-N 436.350 2.005 30 10 IEEE CC/C=C/Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1499864408 WFYVDADVKCHLJA-AWUSRGSFSA-N 437.548 2.490 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCSC2)CC1=O 1504898863 BJRIXKFBWJSRLQ-PKOBYXMFSA-N 440.573 2.253 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1505041769 YQIFWJMYYSMNSX-WMZHIEFXSA-N 441.532 2.112 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1507631444 PQLKDFAHSOAOQP-SFHVURJKSA-N 431.562 2.092 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1csc([C@H](C)OC)n1 1507652898 MBYNIFAKXIUJCY-AWEZNQCLSA-N 438.513 2.291 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1507805917 FDRLWIQKLKOPCV-UHFFFAOYSA-N 444.503 2.352 30 10 IEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507948183 OIVVKMVBTUZTGR-NRSPTQNISA-N 430.597 2.475 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1507954632 OXBSYNVROQLJSM-QUCCMNQESA-N 446.573 2.431 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1507967446 HIWBUZDBSYTVJT-CYBMUJFWSA-N 429.493 2.469 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cc1 1510988297 MKNYZARAFUNHHB-IBGZPJMESA-N 441.513 2.302 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513149882 HGDKDEDROCITDO-JKSUJKDBSA-N 425.537 2.047 30 10 IEEE CCc1nnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513860927 LQMJRPXRNWMWFO-VLZBMTSBSA-N 449.559 2.078 30 10 IEEE CCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1516734016 SXGMOGYJYGQSHX-CQSZACIVSA-N 436.310 2.481 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 1528591793 KUIQOYDTOPVHPM-KRWDZBQOSA-N 439.534 2.172 30 10 IEEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cs1 1530020225 GOHYPZTYOYLWMN-UHFFFAOYSA-N 446.554 2.493 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOc4c(F)cc(F)cc43)C2=O)cc1 1531036596 OTBPIPPBWSYRKB-INIZCTEOSA-N 426.379 2.467 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3(n4cc(Br)cn4)CC3)CC2=O)cc1 1534358435 XSTKJMDVNRSWAS-AWEZNQCLSA-N 428.290 2.176 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCN1Cc2ccccc2OCC1=O 1537841112 DKSKWWREDAEJFQ-KRWDZBQOSA-N 430.505 2.111 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539211186 IXXQWIIHYQVMAD-QGZVFWFLSA-N 430.505 2.058 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539230310 LKRUZSHTRNGJPY-QGZVFWFLSA-N 444.557 2.293 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1539491784 VUOWJRKROBTOBZ-OAQYLSRUSA-N 431.537 2.020 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1539549956 ZEXPXFILCDSZHU-JOCHJYFZSA-N 436.541 2.289 30 10 IEEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540066062 OVZMRPYLJIDSKP-MRXNPFEDSA-N 428.562 2.341 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1540550246 LEEYZDPCKZVBPD-QYZOEREBSA-N 432.496 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1540866607 TZGRXXJGLGXZEH-SFHVURJKSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540875839 ZJZHPRVIUKRLIX-IRXDYDNUSA-N 430.528 2.217 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1540911540 VBEONESTPXATHQ-HZPDHXFCSA-N 426.550 2.454 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1541800709 FQYJSKYZKKLVSJ-HNNXBMFYSA-N 445.545 2.422 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)Oc2ccccc2F)n1 1543066299 AMVWMZXEHRBYCK-MSOLQXFVSA-N 439.495 2.475 30 10 IEEE COc1ccccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(N)=O 1548368151 YQVTWGYITVFMND-KRWDZBQOSA-N 432.402 2.402 30 10 IEEE CC(C)(C)OC(=O)CC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCOCC1 1556132740 SOKKFNYAYFAPBJ-JKSUJKDBSA-N 437.537 2.390 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1557712612 AQIMPMFODODUBQ-MCIONIFRSA-N 433.933 2.119 30 10 IEEE C#Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1583381983 CICMMDLGGQRPMV-GOSISDBHSA-N 427.482 2.293 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1Br 1584794581 WUFNIHMFKOMFIE-NSHDSACASA-N 428.230 2.274 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1585231208 IBOZCVRGAKXEFF-UHFFFAOYSA-N 440.525 2.230 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cnn(CC)c2)c1 1587692681 IFQWSQBNPWPAMY-IBGZPJMESA-N 433.516 2.103 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCC)[C@H]1CCS(=O)(=O)C1 1588041581 YCKWTHTWNWTFOE-INIZCTEOSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588045780 QLBAXIJPWDSMOS-CVEARBPZSA-N 442.570 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1588073970 GNZINCXWQIZUGS-GOSISDBHSA-N 443.511 2.441 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCCC2)CC1 1588780768 WMHSRWKDICJKRV-UHFFFAOYSA-N 428.968 2.458 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCN2CC)CC1 1588857284 LSMGFSZASVLZSR-FQEVSTJZSA-N 427.622 2.263 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1595171048 PIABMWQQNWZCAK-VQTJNVASSA-N 427.597 2.458 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1595171049 PIABMWQQNWZCAK-WOJBJXKFSA-N 427.597 2.458 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595490669 WRKGPIBPZCPDKL-IAGOWNOFSA-N 428.924 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(CC)C1 1595529982 OQSRWDFADWVYGS-OAQYLSRUSA-N 445.593 2.167 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603604534 IMZSENWIGGBHMO-KHOFPDMRSA-N 442.564 2.398 30 10 IEEE CCN(CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1615620637 SCQQYTMHSOWDML-AWEZNQCLSA-N 439.973 2.261 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(c2cc(C#N)cc(C)n2)C2CC2)C1=O 1617107039 ZALYWTQHCICFFT-QHCPKHFHSA-N 433.468 2.233 30 10 IEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)cc(C)c2C#N)cc1 1617234995 GLMFBIJTZVWBNG-UHFFFAOYSA-N 446.529 2.106 30 10 IEEE CSCCCN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1620284518 FDYMWXAOLJYEKI-HTXNQAPBSA-N 427.534 2.056 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)s1 1624774007 KLDLSSGTYFALAZ-UHFFFAOYSA-N 431.543 2.498 30 10 IEEE CCOC(=O)N(C)CCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1625432533 BBKQLLIYDCAFLQ-UHFFFAOYSA-N 430.484 2.383 30 10 IEEE CC(C)CCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1627321222 HBLAMLOPXCISPL-SQNIBIBYSA-N 441.594 2.445 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)n1 1634601805 SXBOJGCFOZCZKH-MSOLQXFVSA-N 432.475 2.402 30 10 IEEE N#CCCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 1635905889 PBHZWBBGNHKHDD-INIZCTEOSA-N 438.315 2.256 30 10 IEEE CCOC(=O)C1=CC[C@@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1636925074 NMXXRWQFBPGIJW-LJQANCHMSA-N 434.500 2.432 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] 1638257615 UWFFOOCWWORAFQ-CQSZACIVSA-N 448.430 2.450 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1F 1639637745 FFZLEYCBSHCHSP-HXUWFJFHSA-N 430.457 2.274 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)CC2)nc1 1640995941 WKIYZIMOCLIARF-UHFFFAOYSA-N 449.330 2.383 30 10 IEEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC#N)CC1 1641259026 WAZOBQSXIZEPPT-QHCPKHFHSA-N 428.533 2.466 30 10 IEEE COC(=O)CCN(CC#N)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 1643858707 NSKHQPSUBLSEMX-UHFFFAOYSA-N 428.514 2.104 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1644462945 UORGABURFMMNSX-CZUORRHYSA-N 425.323 2.360 30 10 IEEE CN(C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[C@@H]1C#N 1648668181 ALRSYYHCOWKDES-AEFFLSMTSA-N 435.546 2.447 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(Cl)cc1C 1653704201 XSFWEKYCXAVIDZ-LLVKDONJSA-N 440.768 2.222 30 10 IEEE COC(=O)CNC(=O)c1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1657666063 GIMXSLSQQZPNQE-UHFFFAOYSA-N 435.484 2.252 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)C1 1665457362 OVZLHTKMMPAWIG-LEWJYISDSA-N 433.574 2.195 30 10 IEEE C=C(C)COCCNC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1670367687 CICOVBIXEDERFD-KRWDZBQOSA-N 426.558 2.174 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1OC 1683589713 GOXAQOJDRQPICQ-FQEVSTJZSA-N 434.496 2.210 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)C1 1685267393 XOBIKDQDTWJTPR-ROUUACIJSA-N 428.499 2.307 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1689838401 ZCCOQFNXIIDVSG-CYBMUJFWSA-N 442.321 2.377 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCCO2 1690003672 UOKCOADBCBPHNI-XMMPIXPASA-N 436.512 2.213 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1690063642 KZIKWDBZQXUASO-UHFFFAOYSA-N 441.561 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(COC)cc1 1690101194 RMHYLSGSQJELIA-UHFFFAOYSA-N 437.500 2.287 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1)c1ccccc1 1690322450 FZHUWWGQDQMBNR-NHCUHLMSSA-N 438.576 2.490 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690358472 BHJJKXDHUXWUEA-OAQYLSRUSA-N 439.988 2.231 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)CC1 1690375243 DPTHFVJSCFLVDG-KRWDZBQOSA-N 435.594 2.176 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C#N)C1 1690460177 BMRPOXZKDLVUKM-INIZCTEOSA-N 429.550 2.323 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690669390 CSQFUDYRYRZVDT-SFHVURJKSA-N 426.521 2.205 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1690723677 YCFAMOVFLPQKFH-UHFFFAOYSA-N 449.621 2.422 30 10 IEEE CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1691348465 BTWZNGHJKRUBFM-OAHLLOKOSA-N 439.486 2.166 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC(F)F 1692662076 PHBZTSYMVVFMKZ-ZDUSSCGKSA-N 427.477 2.369 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1695437690 CAAAKNLMISMGAX-LJQANCHMSA-N 437.548 2.228 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C#N)o2)c1 1698293915 UTJXQXICJYWXSH-FQEVSTJZSA-N 440.460 2.304 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)C1 1698483695 IGNWYJMXQFXPFP-UZLBHIALSA-N 433.509 2.091 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCCCC2)CCO1 1698494502 WFJWNMJRMCRJOD-MRXNPFEDSA-N 444.486 2.278 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705526694 KHNKZHPZDGLPLG-XXBNENTESA-N 445.571 2.219 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705533369 MCWNMDNHUGVACF-KRWDZBQOSA-N 426.496 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)C 1705603585 QUXGQIOGVWKZAD-GBESFXJTSA-N 428.581 2.462 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1705604087 FEJQFZRQJXTKTH-CQSZACIVSA-N 425.942 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CCC2)CC1 1705646978 VUAAVSSOJFZSDQ-UHFFFAOYSA-N 427.936 2.479 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705687241 AYVWTYISXIJQDA-CVEARBPZSA-N 440.386 2.380 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@@H]1C 1705830481 QQKLBUGPJIYOAM-SFHVURJKSA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1705895557 KZDYNWXABRVWOM-KRWDZBQOSA-N 448.527 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705898119 BHMCLMPZRVFRRV-QGZVFWFLSA-N 441.532 2.030 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)c2ccccc2)C1 1705921976 CVJNTWWSVPLJCH-SFHVURJKSA-N 431.562 2.305 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCC(C)(C)C)CC1 1705932029 INCFAYUNIVAMNM-UHFFFAOYSA-N 434.610 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC=C(C)CC1 1705932935 OUSIMOXAXAYATR-UHFFFAOYSA-N 430.530 2.474 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC3(C2)OCCO3)CCOC1 1706068848 RRUHDNKAUICPMT-LQWHRVPQSA-N 433.553 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCC=CO2)C1 1706177358 AWHJXNBMMDVMSV-MHORFTMASA-N 444.536 2.470 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCS(=O)(=O)C1 1711967388 GFYDANASRZKUSI-IRXDYDNUSA-N 431.562 2.298 30 10 IEEE COC[C@H](F)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1712181572 BZXZJILVVKDNJB-ZOZBEKFXSA-N 440.495 2.475 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1722329241 CQLXTSIXRLFOLX-UHFFFAOYSA-N 447.543 2.318 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722368684 UWDYULQAENJWAX-AZUAARDMSA-N 446.548 2.181 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccoc1 1722426443 IFKDFJFAYQVUNZ-GOSISDBHSA-N 445.520 2.314 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1722434073 IQHSVIXWYMILMO-QGZVFWFLSA-N 436.482 2.486 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1722492260 DYCDRODOLMCFEM-UXHICEINSA-N 435.532 2.259 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1722640633 PWHARVJFFHVIPU-GBESFXJTSA-N 431.562 2.037 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1722658322 WBQSFQPUMZFVHE-RBUKOAKNSA-N 443.573 2.247 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722701235 KFYJMDYYGXDGFX-HNNXBMFYSA-N 428.503 2.386 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1722720162 HLNVAYADQMKBOB-VNZMSGEBSA-N 442.560 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(F)(F)C1 1722729111 FOTDYPWVVIMOQT-UHFFFAOYSA-N 426.489 2.324 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)C1 1724021145 UZPCFMGSSTWPAG-WMZHIEFXSA-N 438.532 2.104 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1724253102 ZFQQUHDWDYHNLK-UTKZUKDTSA-N 430.459 2.449 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](OC)C(C)C 1727658340 FDEQHYQFGKPAPO-MOPGFXCFSA-N 426.521 2.115 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(SC)CCN(C)CC1 1730837781 AGRQOIKPFUQTHL-APWZRJJASA-N 440.589 2.271 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)C[C@H]1OC 1730993223 ANLUBUNPDIUPCI-BVPXEZJJSA-N 441.532 2.251 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCOC2)C1 1731181376 OESNVYVPKFWCCH-MSOLQXFVSA-N 436.285 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740551339 TVRFTJWEGURKHX-AEFFLSMTSA-N 443.552 2.309 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740624131 FZPYLOOOLRRMMQ-HXUWFJFHSA-N 444.605 2.233 30 10 IEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)NCC(F)(F)F 1740630880 FXFXXBTWXXYXGF-UHFFFAOYSA-N 429.446 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(Cl)nc2)CC1 1740706915 IJETXFDBBLQIIX-UHFFFAOYSA-N 449.946 2.326 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1740763798 QELLKHRZLYJXGG-SIKLNZKXSA-N 431.581 2.287 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1740851563 ZHNCLWQKAJPSCX-OFLPRAFFSA-N 443.589 2.398 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1740875175 UJVSBCQCIBSODC-MRXNPFEDSA-N 435.532 2.308 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1741000025 LDEYXUGEYPBBKM-HNNXBMFYSA-N 426.546 2.336 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1741133231 ONHKFIKMWAJPKY-APWZRJJASA-N 435.507 2.343 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1741150553 CZKBTRBMBKISBC-LJQANCHMSA-N 447.547 2.412 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)ncn1 1748289019 GUAPIIZGWFCJDH-IAGOWNOFSA-N 439.568 2.096 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748753208 AEQYILXCXUESFL-UHFFFAOYSA-N 433.553 2.282 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCn1cc(Br)cn1 1748780533 APALHQQPWUGUNS-UHFFFAOYSA-N 429.278 2.402 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN(C)CC)c1 1748875446 PLQSOJJNRZLYLS-UHFFFAOYSA-N 432.572 2.477 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 1749039479 VADWUNHTKMSWNW-KGLIPLIRSA-N 436.525 2.325 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1c(C)nn(C)c1C 1749049730 PTFJZPCQFOGFAT-HKUYNNGSSA-N 432.594 2.355 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749135556 FZNXSFPMXUBBFH-VMBXEPDQSA-N 444.580 2.361 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(COC)CCC2)CC1 1749329447 MDBIVWXKHKDOGU-MRXNPFEDSA-N 425.599 2.498 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749404204 VOGYDYYTLDGGAG-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N 1749726691 AQDKIDPLKHXVEP-OAHLLOKOSA-N 431.518 2.055 30 10 IEEE CC(C)(O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1750532079 ZOUQAMRHARAFOF-KRWDZBQOSA-N 448.568 2.487 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2([S@@](C)=O)CC2)CCOC1 1751018325 MLYDUEIVNMRCIE-URAOTHONSA-N 435.594 2.360 30 10 IEEE Cc1c(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cnn1CC(C)C 1751364884 QPDYLRWSSZGCOJ-MRXNPFEDSA-N 434.552 2.173 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C(F)(F)F)O1 1752311421 AMZINRRWOKYWMQ-PSGMQZRDSA-N 448.449 2.451 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1760171317 ADACIGAXXJSPMN-JTBPQFFMSA-N 435.594 2.373 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1760187381 JIFAQEPYYDPNKN-OAHLLOKOSA-N 438.504 2.202 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)N1CCOCC1 1760207109 XZXQBYBLYSFSSH-UHFFFAOYSA-N 435.572 2.256 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN(C(C)C)C1 1760207618 PUSQSPXSFPIRLD-IBGZPJMESA-N 438.601 2.463 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1760261126 LPNWYPSYJDXCJT-NZQKXSOJSA-N 425.581 2.243 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1760264439 NPOGCQZAZTYVKM-FQEVSTJZSA-N 438.576 2.226 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 1760355081 XXBHKBRRMPRWEB-UHFFFAOYSA-N 426.565 2.481 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760368184 VMJLJUSHKVJDDK-ZWNOBZJWSA-N 444.717 2.148 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760512527 OIDDWAQCPOKYML-UHFFFAOYSA-N 446.939 2.271 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(Cn2cccn2)CC1 1760527329 SNTKBSRIEFFIKO-UHFFFAOYSA-N 433.560 2.479 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1761217050 DIIWXQWSSPPOPP-NRFANRHFSA-N 428.468 2.414 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1Cl 1761510320 GXOJJORYJUMPGC-YSSFQJQWSA-N 432.887 2.232 30 10 IEEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1767029516 BFISVSPSYAASPD-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE CCOCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1768094039 GFYQQTYRVLEOQV-GOSISDBHSA-N 447.547 2.067 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C[C@H](C)O1 1769521785 OFVBBKMYLDDPGZ-SQBLYHGDSA-N 441.532 2.394 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)Nc1ccccc1 1769993746 BLZLDSMPSWYQPZ-KKSFZXQISA-N 430.484 2.473 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1770220850 ODCHJHGBHZMECI-ADAARDCZSA-N 446.596 2.099 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@]2(O)CCOC2)c1 1770732273 XAHGTSLEHAOLGD-FQEVSTJZSA-N 449.433 2.316 30 10 IEEE COCC[C@@](C)(O)Cn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1770982345 ITUFHFIDEIUPQD-HSZRJFAPSA-N 439.564 2.316 30 10 IEEE Cc1cccc(C)c1N(C(=O)CCCN1CCS(=O)(=O)CC1)C(=S)N=CN(C)C 1851242703 UWKFPTOKBHGUTF-UHFFFAOYSA-N 438.619 2.022 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCCN(c4nccc(C(F)(F)F)n4)CC3)cnc2c1C#N 1851431264 AJFUUWZONVJRSJ-UHFFFAOYSA-N 444.421 2.379 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1)c1snc(N2CCOCC2)c1C#N 1852637325 GOLMYRBFEWZBPS-QAPCUYQASA-N 443.504 2.173 30 10 IEEE CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853948905 VIKRWOTUTPWWLE-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)C1=O 1854207698 MGUWIZWFPZLUGY-QZTJIDSGSA-N 426.904 2.348 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 1857037081 UKGHACCRHOHVDT-HNNXBMFYSA-N 443.447 2.259 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)c1ccccc1 1869035836 HNAIVELYJKPUED-FQEVSTJZSA-N 427.526 2.314 30 10 IEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 1870158781 OFYPNTOHKVGSDQ-UHFFFAOYSA-N 432.444 2.051 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CSc1nnnn1C 1870211359 DVEZFWLRZMNXRJ-UHFFFAOYSA-N 440.529 2.430 30 10 IEEE CCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874526589 WBUWIDQRTQVRJX-REZTVBANSA-N 429.296 2.465 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CS)C(=O)O 1882736601 TZVWCDUERBDLCX-OLZOCXBDSA-N 447.351 2.384 30 10 IEEE CCCn1ncc(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)c1C1CC1 1890877863 WKAYNZYNNLSUPQ-UHFFFAOYSA-N 441.620 2.433 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2010230205 XEDSYVOGGXPHMD-BRWVUGGUSA-N 439.553 2.027 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060633359 MUYZNKZKINXWBL-VIKVFOODSA-N 432.330 2.353 30 10 IEEE C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2060726474 SXIZKGKMHJRUMK-PZJWPPBQSA-N 441.576 2.164 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 2243384881 YHKZTLLNLDUPCX-NSHDSACASA-N 425.360 2.394 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCNOCc2ccccc2)OC1(C)C 2243439956 WBCSNMMGLSWPRO-UHFFFAOYSA-N 438.380 2.047 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1O 2255365162 AGFAAIZOHQITMJ-BZUAXINKSA-N 433.358 2.457 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255614945 NEKWPRBIJBFYFF-CYBMUJFWSA-N 436.362 2.141 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632584 ORANPQKYANYNNF-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255650037 XUTOUDHOGCKYAP-UHFFFAOYSA-N 435.305 2.305 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818459 LJEYFXRXAJYHOF-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1nc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC2)ncc1B1OC(C)(C)C(C)(C)O1 2256677939 IZRQAZRFLSJTEC-UHFFFAOYSA-N 432.330 2.328 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258244040 ZMVCVQNFNILROD-GFCCVEGCSA-N 430.232 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3cccc(B4OC(C)(C)C(C)(C)O4)n3)C[C@@H]2C1 2266698835 BDKRAJAQENODDT-IAGOWNOFSA-N 445.369 2.453 30 10 IEEE Cc1c(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266996874 RQLHWVKKIKCJHF-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE Cc1cnc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267123530 UZVBKKOOEJJRNA-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267136728 LXZDOSZLXOELKU-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267143334 GUGVNSBOOVBSBA-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@@H]21 2267483270 PZKWYWVBAGPKHK-HOTGVXAUSA-N 448.325 2.039 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267502663 RBMGQWIKAZNMLY-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267506565 ZRFCNYLSGFDSQH-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267552782 VXBUSEAJUOVFEJ-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267593668 MTGGJXPQAGRJCL-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE CC(C)C[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267872218 HWLBRCCVLIKDSR-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268631719 BPYVWUZKHWWCLF-QZTJIDSGSA-N 446.353 2.284 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268714608 BJDYDBOLBZVLOO-MRXNPFEDSA-N 446.353 2.008 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCCC12OCCO2 2282326753 XLEXLPACLNCSQY-HNNXBMFYSA-N 443.396 2.320 30 10 IEEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc(O)c2CN1CCN(CCO)CC1 2296203791 RUOPXVLKXYGDIK-UHFFFAOYSA-N 425.441 2.027 30 10 IEEE C[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2300338191 SNUXKAMVVTUOFO-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE Cc1cc(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343644092 SAQLYALSYHKVGC-GOSISDBHSA-N 448.369 2.186 30 10 IEEE Cc1ccc(NS(=O)(=O)C2CC3(C2)OCCO3)c(F)c1B1OC(C)(C)C(C)(C)O1 2381234923 RBHYGPICRPULNN-UHFFFAOYSA-N 427.303 2.081 30 10 IEEE COc1cccc(-c2nnc3ccc(OCCNC(=O)COc4ccccc4C#N)nn23)c1 13706415 GSZVAIJEBOXIMP-UHFFFAOYSA-N 444.451 2.246 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(C(=O)N(C)C)cc2)cc1 96348371 SPKNDRMGQRXTBU-UHFFFAOYSA-N 441.553 2.200 30 10 IEEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@]45O[C@H]5C[C@]3(C)[C@]2(C(=O)CO)O1 135864773 BYWOITQBHUGMQO-UOXQSORVSA-N 432.488 2.435 30 10 IEEE CCOc1cc(/C=N\n2c(SC)nnc(C)c2=O)ccc1OCC(=O)N(CC)CC 169882493 QCZDWAFQBRFNCH-MTJSOVHGSA-N 433.534 2.197 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1Oc1ccccc1 426932782 PDJXTNOTECQVMF-HXUWFJFHSA-N 448.479 2.185 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1Cl 435713422 DEVBSJCWCGPSHV-INIZCTEOSA-N 445.972 2.078 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCCCC#N)C1=O 474393966 IZRBAIHPYWMCJV-QZTJIDSGSA-N 435.546 2.284 30 10 IEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1cc(C#N)c(SC)nc1O 476816158 DCYPLEYNILQXFO-UHFFFAOYSA-N 441.513 2.029 30 10 IEEE CN1C(=O)C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H]1c1ccc(Cl)cc1 507963829 IDXMDZCSIHIPLN-KBXCAEBGSA-N 434.861 2.370 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)NCc3ccccc3)cc21 526839494 IEQWVMVEAYUPQG-MKTHODDLSA-N 440.521 2.234 30 10 IEEE Cc1cc(C#N)ccc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 534398066 ZXHYMZGPLAYRSP-UHFFFAOYSA-N 428.514 2.206 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 535890502 BXRNKYZXFWTPOC-CXAGYDPISA-N 432.492 2.485 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 536483560 WRXPQJFWWLOCHA-UHFFFAOYSA-N 435.528 2.068 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)C1=O 538591582 BPEYUVFVJZYVNZ-QGZVFWFLSA-N 427.501 2.338 30 10 IEEE N#CC1(CS(=O)(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)O)CC1 548521475 AXJKEHMUBYCPBC-AWEZNQCLSA-N 426.292 2.149 30 10 IEEE N#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c(F)c1 609231066 JZQIDKPLVOFCTG-UHFFFAOYSA-N 440.294 2.445 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 669804480 RGGIZNUGNZATRM-OALUTQOASA-N 431.562 2.227 30 10 IEEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(Cl)cc1C#CCCO 703975100 STUCZSPNTLNMGP-UHFFFAOYSA-N 432.885 2.112 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(-c2ccncc2)c1 727107815 MNIFFMZSYMVFBM-SFHVURJKSA-N 438.513 2.359 30 10 IEEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731305827 GTVGCTRDHRFYCD-INIZCTEOSA-N 430.461 2.238 30 10 IEEE CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741340823 HJZSXEKXOUUPCD-CCWVLBSLSA-N 441.484 2.209 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 747262888 KHLUZTOLMKQWAC-UITAMQMPSA-N 426.498 2.087 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CCN1C1CC1 751955750 URDDQQNHVWJWMH-GOSISDBHSA-N 426.904 2.393 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCC2(C#N)CCOCC2)cc1 783429632 CVBYRQVDSGHPOC-IBGZPJMESA-N 434.514 2.296 30 10 IEEE COCCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCc2ccc(F)cc2)cn1 789981712 DLMDFPODGMKGSQ-UHFFFAOYSA-N 440.508 2.310 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)c2F)c1=O 799940448 WVGPQARBWAVGMP-UHFFFAOYSA-N 448.475 2.085 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCO2)c1 802695202 TXGPZRYOMAQIQQ-MOPGFXCFSA-N 438.532 2.318 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc(C#N)ccn2)C1 807168319 GWYDJAUKCMGAHO-HKUYNNGSSA-N 441.532 2.321 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 808201258 HCNRCRDJIVZMTL-YJBOKZPZSA-N 427.505 2.267 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 813736650 QMRPEAANTCFZMF-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1)C1CC1 814705755 MCNMKUMIISDGMY-RBUKOAKNSA-N 432.590 2.419 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2C1=O 918812063 CLKHOLASZCEDLX-QGZVFWFLSA-N 447.491 2.268 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1OC 1140107099 KOHSNVNMQFGQES-UHFFFAOYSA-N 431.411 2.415 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1)C(=O)OC 1141994944 DBOYBDZQJHNNFM-HOTGVXAUSA-N 439.281 2.264 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 1151586055 OKUKYVQNZNHWON-QRVBRYPASA-N 428.533 2.324 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1ccc(F)cc1 1158269515 RYIZEGRINFVDOX-SFHVURJKSA-N 431.489 2.245 30 10 IEEE CCOC(=O)COCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1158411716 LPVWNPNWONKYSA-LJQANCHMSA-N 431.489 2.088 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1Cc2cccc(C#N)c2C1 1195705395 WXNJMVYNDWIEDC-CQSZACIVSA-N 428.514 2.160 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1213308102 FFBIZRJZAHBFJO-IBGZPJMESA-N 434.562 2.168 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1286310732 GKYCDVRMDCKUNS-RTBURBONSA-N 438.576 2.396 30 10 IEEE C#CCCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286360565 UTMPXKJBVSYJQL-HSZRJFAPSA-N 431.581 2.427 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1nnc(C)s1 1286408047 ZSAFJDXUQNOKON-UHFFFAOYSA-N 430.497 2.069 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC=C)CC1 1286487152 DHURNPNRRPLHMH-HSZRJFAPSA-N 429.565 2.251 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286711035 HLZHVDFIWAQRGO-SFHVURJKSA-N 432.569 2.226 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1286795569 JJRTYSICOIMETE-INIZCTEOSA-N 449.577 2.117 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)C2CC2)C1 1286797945 FFTSLFIYPLNXLN-AEFFLSMTSA-N 425.537 2.189 30 10 IEEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1)C(F)(F)F 1288751949 WQOLPFKDFZMBSR-WMLDXEAASA-N 447.465 2.168 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1291217825 IWXTWUVKCARAQB-OVDVQJHRSA-N 431.500 2.435 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN(C)C 1295876456 CXTKWJVSGHKCPS-UHFFFAOYSA-N 432.594 2.275 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)C1 1296328613 CQFMYQNDDGEOPG-GOSISDBHSA-N 446.577 2.150 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1296516958 CWJYPCPNXXPUNT-YCRPNKLZSA-N 427.509 2.070 30 10 IEEE C[C@@H](Sc1ncccc1C(=O)NCc1ccc(C(=O)NO)cc1)C(=O)N1CCCC1 1297053962 FTRGDVKZFXYQGM-CQSZACIVSA-N 428.514 2.234 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 1298720629 APBMBBLEUDIYQZ-UHFFFAOYSA-N 428.539 2.083 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300352275 HXGLVVCNBDOCQK-IBGZPJMESA-N 431.500 2.093 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300468519 BYTJMNIQARSMOP-AZUAARDMSA-N 445.564 2.282 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300504635 PHYJMLUCAJQYBZ-OALUTQOASA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1300509529 OEMKUXWZVHWVAS-UHFFFAOYSA-N 432.871 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCCS(=O)(=O)c1ccccc1 1300596226 MWVFUKLVEJWIGF-HXUWFJFHSA-N 426.542 2.457 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)N1CCOCC1 1300874980 MCXIAEXLJLJIAT-PXNSSMCTSA-N 429.521 2.123 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1301278188 HDCFSTUVJWJVMJ-INIZCTEOSA-N 426.546 2.430 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1301499906 GPCFBJSPNKTPDW-UYAOXDASSA-N 447.580 2.029 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1301508952 XHMONUFQDGSTGL-QGZVFWFLSA-N 432.569 2.274 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1301567875 AISGQGNZCOIXTL-UHFFFAOYSA-N 433.553 2.358 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1302026480 GINAVXYVLRZIEI-IIDMSEBBSA-N 448.465 2.328 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC(C)(C)C1 1302051485 GLWFVYMPPAHYCL-GCJKJVERSA-N 434.585 2.243 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1303898826 CBDVJEYVANWQJE-ABSDTBQOSA-N 444.511 2.007 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)c1 1304106498 CCYNAGSVJBCIKU-UHFFFAOYSA-N 434.539 2.295 30 10 IEEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)cn1 1313107270 HWJPYMUEFKMOIX-UKPGIYTDSA-N 440.573 2.259 30 10 IEEE COc1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1315581460 IJYHEUOHVUPRTH-SIKLNZKXSA-N 427.505 2.104 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1320033187 SGDOIPPSGXLSLR-AZUAARDMSA-N 426.542 2.141 30 10 IEEE C=CCO[C@@H]1CCN(Cn2nc3n(CCCOC)c(=O)c4ccccc4n3c2=S)C1 1323714892 GKYQUWZMRUFJAK-MRXNPFEDSA-N 429.546 2.451 30 10 IEEE COc1ccc(NC(=O)Cc2c(C)cc(C#N)cc2C)cc1S(=O)(=O)N1CCOCC1 1351754816 AQAVFAOYQQWCRR-UHFFFAOYSA-N 443.525 2.386 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)N1CCOCC1 1358922594 KMDLYDFUSQLNHC-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F 1358930168 PPJMRHKMDQDMGM-APWZRJJASA-N 449.552 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1358986071 NDORXGSALGRTQR-OAQYLSRUSA-N 449.555 2.357 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCC1 1358989542 GYNTYJAFUSVHMM-UHFFFAOYSA-N 440.525 2.104 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1359022413 YXAHRQTYOBDRLY-UHFFFAOYSA-N 436.491 2.304 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[C@H](O)C2)CC1 1359037213 ZRZDZNKCYBJNHA-ROUUACIJSA-N 429.515 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1359098954 HZLHEINSHURADA-QYZOEREBSA-N 432.569 2.005 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359202124 JWUYWJLPOZAYPK-HXUWFJFHSA-N 436.560 2.477 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1n[nH]c(C)n1 1359279510 JJZCZGQHSVWXSR-UHFFFAOYSA-N 425.493 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1359299024 RWMQFGVXPMVULV-INIZCTEOSA-N 449.559 2.367 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1359474254 PGYIFKYRSNTDTR-NJAFHUGGSA-N 428.562 2.291 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1cccnc1-n1cccn1 1360184252 FPQNIROCSUWHJQ-UHFFFAOYSA-N 433.520 2.175 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccc(F)cc3)CC2=O)cc1Cl 1435135596 VIBSFVOWMKVOME-HNNXBMFYSA-N 428.851 2.250 30 10 IEEE C=CCCSCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1437474844 VPRFLDATULMBTA-HNNXBMFYSA-N 427.548 2.421 30 10 IEEE Cn1cc(CNC(=O)c2nc(S(C)(=O)=O)ccc2Cl)c(-c2ccc(C#N)cc2)n1 1458859027 WKXZEVWKVWYPKS-UHFFFAOYSA-N 429.889 2.341 30 10 IEEE N#C[C@@]1(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCc2ccccc2C1 1466978003 BJTJSQFIVUJZIA-NZQKXSOJSA-N 439.537 2.325 30 10 IEEE C=CCSCCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1469760920 KRCAYCGLKUWIPO-INIZCTEOSA-N 426.583 2.159 30 10 IEEE C#C[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c1ccccc1)C1CCOCC1 1470312014 NJOWZXKJYRTICW-YXOXSWSVSA-N 436.599 2.243 30 10 IEEE C#C[C@H](CCC)NC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470666470 YEBUSCAWPUQUCO-BHIYHBOVSA-N 447.580 2.366 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1470842023 PMJUENFSHWFJJW-FQEVSTJZSA-N 427.526 2.330 30 10 IEEE C=CCC[C@@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1470855884 XAOCDQYSDNKGHK-SFHVURJKSA-N 440.585 2.251 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1472578815 BNWNPWVDKWAZPI-INIZCTEOSA-N 435.546 2.197 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1479062070 MCIFMAYGBCBLKU-FQEVSTJZSA-N 435.590 2.365 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CCS1 1499696657 JPWMUHGCTBBRLQ-SFHVURJKSA-N 448.618 2.478 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)C[C@H](C)O1 1504711674 GHEZOCCMMDQKOE-SUMWQHHRSA-N 425.518 2.265 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1504749719 PAHYMVIABAWJSB-WMZHIEFXSA-N 435.532 2.332 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1ccc(F)cc1 1505003145 YFNWOBIKSOVJCB-FRQCXROJSA-N 433.484 2.337 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCCC2)CCN1S(C)(=O)=O 1505282496 IEUZUKSHQYWFBL-INIZCTEOSA-N 428.562 2.477 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1507572646 RCDWABKBHDPMPG-GOSISDBHSA-N 431.924 2.127 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507595307 ZJEIPQQHJNZSAG-UHFFFAOYSA-N 434.544 2.387 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C1CCCCC1 1507712731 NKYOAHYEZCJMNB-VQTJNVASSA-N 428.581 2.112 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)CCOC)CC1 1507720318 CJXIWCZJORAUQO-FDDCHVKYSA-N 445.539 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507737566 BWZWQMMNBBXZOU-IBGZPJMESA-N 426.609 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)COC)CC1 1507741702 YRWIIDXBTWQDLO-QGZVFWFLSA-N 443.523 2.245 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCOCC2)C1 1508117965 SVEDMYQLGZPCLO-AEFFLSMTSA-N 432.956 2.496 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1508797330 RFNWARZOWAEWKG-LJQANCHMSA-N 447.547 2.449 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NC2CCCCC2)CCOC1 1509810866 ZRKAGHHDNNCVHG-FCHUYYIVSA-N 448.543 2.210 30 10 IEEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)s1 1511732450 FEONIKYQHOVJKP-INIZCTEOSA-N 449.606 2.103 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1516773489 QYHIPBIHYNNCGF-UHFFFAOYSA-N 426.502 2.257 30 10 IEEE CN(CCC1CCOCC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517280108 KBLZBQFDJNFTBC-VZCXRCSSSA-N 428.537 2.325 30 10 IEEE CNC(=O)c1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)c1 1517494567 FHJVOFHRYWKELE-OAQYLSRUSA-N 439.520 2.484 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1 1517625659 HOONNACOZISWFK-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1517884352 CWWKUYAFMFSTAK-NRFANRHFSA-N 446.577 2.150 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)c3ncc(I)cn3)cc2C1=O 1527301603 JPPDVEREEHMMHQ-UHFFFAOYSA-N 448.220 2.140 30 10 IEEE CCCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 1534268722 QPGDZVMYHSLMSD-LTUQMTLXSA-N 434.562 2.477 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)C1=O 1534899447 RNRLCUKOCVPDAO-OAHLLOKOSA-N 434.290 2.398 30 10 IEEE C#CC1(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CCCC1 1536693552 UYMOZGZTRWCEMH-KRWDZBQOSA-N 431.558 2.132 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539230435 HPJMXXBDPAIZRK-ICBNADEASA-N 434.606 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1539324402 UDOOKSKWOZXRAW-LJQANCHMSA-N 437.519 2.269 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 1539511059 QLSNEJMXCYXANY-HNNXBMFYSA-N 430.368 2.446 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1539625113 ZCPWUKMNJNXDDM-PZJWPPBQSA-N 425.533 2.221 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)s1 1540549852 AKZZRZJMXXDJHX-IBGZPJMESA-N 444.582 2.164 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)s1 1542129800 JHYQIKMUSTYOOX-QGZVFWFLSA-N 425.551 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 1542531568 BFHYMHYSRQRKBA-SFHLNBCPSA-N 440.544 2.372 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1545690161 PFCFAFCZRSUQGT-INIZCTEOSA-N 439.564 2.472 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3CCCCCCO)CC2)c1 1555990679 KKMMDTHTUHCCIV-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1NC(=O)OC(C)(C)C 1556131939 AOYPWFIDQFQWEZ-GXTWGEPZSA-N 434.497 2.256 30 10 IEEE C#C[C@](C)(CC)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1556664505 QVBDTGTZRDPSSM-FZKQIMNGSA-N 443.363 2.438 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)c1 1557571982 BKRSKBDURZUGLT-IBGZPJMESA-N 449.573 2.316 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)CC1 1558072763 CHEGIVXQGPGFSU-UHFFFAOYSA-N 426.542 2.272 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 1558403365 YBMBJFNXJLQTBC-IFXJQAMLSA-N 426.498 2.205 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566577626 FDDCEWRKQHVIOB-FIYPYCPBSA-N 430.936 2.275 30 10 IEEE C#CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1)C(=O)OC 1570218841 KJSMIPMNTYKMJS-LJQANCHMSA-N 430.482 2.181 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1587793261 KVUAKHXDJJIQPY-HSZRJFAPSA-N 444.580 2.072 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCS(=O)(=O)Cc1ccccc1 1588120846 TZRIMHSXMVFGBH-UHFFFAOYSA-N 435.553 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC1CCCCC1 1588162502 VGRGQEHSWLOXJT-UHFFFAOYSA-N 430.512 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCCN1CCCO[C@H](C)C1 1588628072 DSCKVGYQWGQWLJ-HXUWFJFHSA-N 426.565 2.235 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1594855835 DQUNWXPOBFAAKA-GFCCVEGCSA-N 433.456 2.457 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1595296664 IAIOGJIOIYOKNK-SFHVURJKSA-N 445.539 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1595501519 XABWTJWTHQLDEM-GOSISDBHSA-N 441.923 2.212 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)N(C)C)C1 1595745627 UNAYSNHNPUPAAB-RTWAWAEBSA-N 438.576 2.485 30 10 IEEE C[C@@H](Sc1nc(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cs1)C(N)=O 1596671230 HFNFWFUGUWGOPT-CYBMUJFWSA-N 430.555 2.345 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1596788943 DSUINNZBMDTAEA-SJORKVTESA-N 444.511 2.402 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1C 1614079715 GUSOWGLDNNWHAJ-IMFGXOCKSA-N 438.532 2.116 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1615209239 BZBSYOZPJWUQJN-VQTJNVASSA-N 442.589 2.170 30 10 IEEE CCN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1615649878 UORNJZXZSJGKCC-DLBZAZTESA-N 434.541 2.158 30 10 IEEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1cccc(C(C)C)c1 1618171900 RTSVTVWCHMPYNG-HTAPYJJXSA-N 441.557 2.354 30 10 IEEE CO[C@@]1(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCOC1 1619062897 MYRLYBLFDVNFMK-DBHNTLKXSA-N 448.568 2.450 30 10 IEEE COc1cccc([C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1619333478 DBTZNLRRSMPUFS-VXKWHMMOSA-N 447.543 2.304 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1(C)C 1619514978 AKKPULYRHUSEGZ-IBGZPJMESA-N 431.500 2.220 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CCO1 1619753312 AQPRHBGZUDBVOY-LMNJBCLMSA-N 441.532 2.395 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1cccc(F)c1 1620110963 HBTLRYVGQQQXRX-FEHORTKBSA-N 445.495 2.337 30 10 IEEE C=C[C@H](CO)NS(=O)(=O)c1[nH]c(C(=O)C(Cl)(Cl)Cl)cc1Br 1622387792 VZOJDBDBJUIGRC-RXMQYKEDSA-N 440.530 2.155 30 10 IEEE COCCOc1cc(C(=O)OC)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1624415988 UXWKYUQMWGBIEP-KRWDZBQOSA-N 437.452 2.362 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 1626112550 YVYNHKRZNCLMSN-FUHWJXTLSA-N 437.562 2.166 30 10 IEEE C#CCN(C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1626435035 RYJYSIUUFRDHBE-ZDUSSCGKSA-N 427.548 2.072 30 10 IEEE C=CC[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OCC 1632655744 BFJOMMIZMHNYTI-IBGZPJMESA-N 433.530 2.038 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 1636912841 LWPBRUZVYBXQNX-UTKZUKDTSA-N 439.564 2.170 30 10 IEEE CCOC(=O)CON=C(C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1)c1cc[nH]n1 1637412775 YCDTUDNXVQILFG-UHFFFAOYSA-N 436.509 2.244 30 10 IEEE N#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C(F)(F)F 1638790854 NJONUIBHXGCION-GFCCVEGCSA-N 440.241 2.464 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@@H](c2ccccc2)C1 1639203801 OXASKENEETZHGQ-VQTJNVASSA-N 440.569 2.313 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1639851450 XQWNYWGZUKRHGZ-KRWDZBQOSA-N 431.537 2.079 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)c1 1640236813 QORJQYUSWLSPEO-UHFFFAOYSA-N 427.404 2.145 30 10 IEEE CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N2CC[C@@](C)(C#N)C2)cc1 1646251979 FVUCJBFJFOEVCN-GCJKJVERSA-N 433.574 2.279 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](CC)(c3ccc(OC)cc3)C2=O)c1 1651700248 QPBRAGJMRLHUHZ-QHCPKHFHSA-N 434.452 2.182 30 10 IEEE CN(C)CCOc1ccccc1N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1657679184 IUGQJEYAZIZLEY-UHFFFAOYSA-N 446.551 2.049 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCCS(=O)(=O)C[C@@H]2C)n(Cc2ccccc2)c1C 1660284633 YSMHGDJMANVRRW-INIZCTEOSA-N 428.558 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 1675815383 IBNMHHFYFIUXOG-QHCPKHFHSA-N 443.548 2.416 30 10 IEEE CC#CC[C@H](CO)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1676275420 SKICDJNQJMBCFF-CYBMUJFWSA-N 437.518 2.335 30 10 IEEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(Cl)ccc1OC(F)F 1679654999 DLJSPDJYJYFMPT-SECBINFHSA-N 439.806 2.403 30 10 IEEE CC1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC2(CC1)OCCO2 1682226636 NXFRSGCDJUXBGU-LJQANCHMSA-N 426.517 2.282 30 10 IEEE C#C[C@H](NC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1682361851 PSENSVARVHHIQX-HNNXBMFYSA-N 438.322 2.404 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1683468838 CSTKLTLIJROLPM-UHFFFAOYSA-N 445.539 2.335 30 10 IEEE C#CC[C@H](CCOC)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1686543831 ZXSBZNJGEGSINA-IEBWSBKVSA-N 435.590 2.343 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1689848699 AAMNDGPPCRZTLI-QZTJIDSGSA-N 430.622 2.439 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689986481 QUWUWQLOLDHKBS-VQIMIIECSA-N 432.521 2.136 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ncccc2N(C)C)CC1 1690115106 SDDUTCYMKKQVPX-UHFFFAOYSA-N 431.544 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(Cl)nc2)CC1 1690146287 KEDICYOWXCQHEQ-GOSISDBHSA-N 442.951 2.235 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690171021 USXZNSAKEKIGKM-HZPDHXFCSA-N 448.593 2.041 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(N)=O)C1 1690305495 AZVMUDYFEPSPAK-KRWDZBQOSA-N 427.505 2.011 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1690513734 HTSKWYHOGGNTBE-UHFFFAOYSA-N 436.463 2.379 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1690676813 FFVKZNQHCVUSRH-QHCPKHFHSA-N 443.523 2.323 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690999971 UCSQCRGENSWZDH-NEWSRXKRSA-N 443.577 2.140 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1691002019 UAPGODOSCWIPBF-UWVGGRQHSA-N 444.849 2.279 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705519165 ASJDJHHRXHOJLV-HXUWFJFHSA-N 433.603 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCCC1 1705626878 MFOWJNMDMIWJOY-UHFFFAOYSA-N 447.543 2.263 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CC2(C(N)=O)CCOCC2)CC1 1705771964 GXIJRHPJKBQNPZ-UHFFFAOYSA-N 429.496 2.435 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1705928173 MZTWGXZDWAPBLK-NJDAHSKKSA-N 432.613 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1C(C)(C)C 1705938556 CBIZJMOMVOYQBO-AWEZNQCLSA-N 437.532 2.249 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C(C)C)N1CCCC1 1708756759 HHHDTLDBHHUOKB-MOPGFXCFSA-N 431.585 2.046 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)c1occc1C 1709138079 QXCUFXAXDSMSIL-UHFFFAOYSA-N 448.531 2.155 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1709334959 CDBSTSNFLFONMX-SZVBFZGTSA-N 429.546 2.255 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1710316987 OKCUWINODIZLPY-ROUUACIJSA-N 432.569 2.294 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1711289089 YVRNUVZAGIDJCC-LJQANCHMSA-N 440.548 2.221 30 10 IEEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1712580145 MLWMJVAJZLASJE-KRWDZBQOSA-N 426.521 2.326 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCc2ccco2)C1 1712875464 CWSYBXXNXSGRQD-OAQYLSRUSA-N 426.427 2.359 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722455281 LKMXHFOIANGROP-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722505180 AOFGTBJCAHIACH-ZCNNSNEGSA-N 431.581 2.458 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722527202 BQFDIODSKWMXIG-HXUWFJFHSA-N 426.565 2.343 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1722699938 QGMYXBDPRXLNQJ-UHFFFAOYSA-N 445.951 2.210 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1722862491 BYWUVBVARIXCSD-HUUCEWRRSA-N 443.533 2.187 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722938303 MQUKCBHUPITMSQ-VXPUYCOJSA-N 442.564 2.400 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1723185853 BKCHOUBPGUJTNJ-KRWDZBQOSA-N 446.552 2.174 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCOCC2)cs1 1725351435 MUPFFMQSNHUVAI-OAQYLSRUSA-N 429.594 2.486 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)s1 1726246140 JYBDLMMHSKEWLG-NRFANRHFSA-N 436.545 2.311 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](F)COC 1740561266 ZRKQFWGUHOHYEH-VQTJNVASSA-N 428.556 2.085 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740565535 WFFNPEKCJYQIEJ-IBGZPJMESA-N 436.564 2.213 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740616478 BPWZFNOTFKKTDM-PMACEKPBSA-N 447.580 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1740704988 ZYNGUTVFJFXBSI-HXUWFJFHSA-N 437.592 2.359 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCS2)CC1 1740708441 PPBUWTDEFLWWST-LJQANCHMSA-N 441.605 2.001 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1740851418 VUGMERGZBWTVTF-JKSUJKDBSA-N 443.639 2.155 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OCCC)CC1 1740991662 AYSFSPZRFPAOIM-ZWKOTPCHSA-N 426.583 2.168 30 10 IEEE CC(C)C(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741286972 OWCYTTQTVIXOCG-JOCHJYFZSA-N 449.603 2.402 30 10 IEEE Cc1nccnc1CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1742646608 DCPPBJYKNSNKPK-KRWDZBQOSA-N 446.563 2.195 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1748843836 KFDPVNROFCMMLV-FGZHOGPDSA-N 446.555 2.148 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1CCOC1 1748882323 OMJIHHGIYFOCCL-SFHVURJKSA-N 426.542 2.238 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCOC2)n1 1748971383 NOXGAIOLSDPZOW-UYAOXDASSA-N 428.537 2.039 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CC1 1748978854 QOPCOZBUULHEIG-KNQAVFIVSA-N 433.622 2.217 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(Cl)cn2)CC1 1748993658 HJJLCYLXWXWJMA-UHFFFAOYSA-N 437.935 2.147 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(O)(CC)CC)CC1 1749010228 ITUSGIPUOZLLMB-UHFFFAOYSA-N 434.544 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1749072111 GAWRSORHXZJMLY-SHQVNNEXSA-N 436.541 2.449 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCCC1(C)C 1749829209 RYPFVZAXUYMTCV-QFIPXVFZSA-N 444.536 2.313 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1750104076 DFANTZQIPIIASN-HSZRJFAPSA-N 441.532 2.254 30 10 IEEE CC[C@H](C)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1752645551 XXGDMNWCROEXPK-JTDSAVPOSA-N 428.537 2.323 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1760100667 XPCYBZDXJUVULO-VQIMIIECSA-N 442.507 2.219 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N(C)C2CC2)CC1 1760258949 VCVHFHYLOSSKQX-GOSISDBHSA-N 438.576 2.200 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)CCc1ccccc1 1760333234 BXTPEAWAQZVJGD-URVUXULASA-N 439.560 2.252 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)CC1 1760389674 QRZQHXCXMXWDNT-IAGOWNOFSA-N 441.623 2.053 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760452775 JBOXLOQZBDKXCF-SJLPKXTDSA-N 431.541 2.297 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@]1(OCC)CCOC1 1760528409 BFGBVVJBFSDEJF-QFIPXVFZSA-N 447.486 2.073 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC(C)(C)C2)cc1 1760529501 ADGKSFKFNPMWKH-INIZCTEOSA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](OC)C1 1760552777 ANGAOLQHOPGREC-QGZVFWFLSA-N 427.530 2.319 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760845702 UHKKJMXWICSVHI-SFHVURJKSA-N 437.548 2.071 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1761359931 CMAUSYQUBFTKDK-RXVVDRJESA-N 446.559 2.478 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1CCOC1 1763743287 YBDVEVNBQYKJEF-WMZOPIPTSA-N 426.569 2.458 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1766759644 JSDQPTIZTBHRRF-FWOMMXCISA-N 431.562 2.359 30 10 IEEE CN(OC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1767442848 PAMNCUIHGWBWEJ-UHFFFAOYSA-N 434.447 2.420 30 10 IEEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CCC1 1768205356 GSEIDCIFSNYKIZ-QGZVFWFLSA-N 438.532 2.355 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1768958060 GWLIUJRSFNUGHS-KZNAEPCWSA-N 427.505 2.377 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCO[C@H]1C 1769846957 NDDHSUSAZXOBFP-BTYIYWSLSA-N 435.475 2.053 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(O)CCOCC2)CCO1 1770746263 BSMHPKSHICQAHL-QGZVFWFLSA-N 449.458 2.207 30 10 IEEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)c1cnn2c1OCCC2 1848942574 LPPFIAHSZCNCPW-LJQANCHMSA-N 427.501 2.331 30 10 IEEE C=CCN(C(=O)c1c(OC)nc(C)c(I)c1C)[C@H]1CCN(C)C1=O 1849274302 JHRPBSHCJDWEIK-LBPRGKRZSA-N 443.285 2.171 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cn3cnc4ncccc4c3=O)ccc21 1850018812 YTADBNOMNQMOJC-UHFFFAOYSA-N 433.468 2.368 30 10 IEEE N#C[C@H]1CC12CCN(C(=O)CN1N=C(c3nc(-c4cccc(F)c4)no3)CCC1=O)CC2 1850895767 VWYYPGVORBYLLL-OAHLLOKOSA-N 436.447 2.354 30 10 IEEE Cc1[nH]c(C(=O)N2CCC3(CC2)CCS(=O)(=O)C3)c(C#N)c1C(=O)c1ccccc1 1851276546 LJUDUVXGYCINQD-UHFFFAOYSA-N 425.510 2.467 30 10 IEEE C=CCN1C[C@H](C(=O)O[C@@H](COc2cccc3[nH]c(C)cc23)CN2CCOCC2)CC1=O 1852329845 XNMZAYTUTVQMPL-RTBURBONSA-N 441.528 2.134 30 10 IEEE COc1cc(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)ncc1Br 1853174256 QZVHJNLAXFQIQK-UHFFFAOYSA-N 430.202 2.337 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)c(C)cc1Cl 1856322228 NZLRCOYNHUCHJS-CQSZACIVSA-N 446.916 2.285 30 10 IEEE N#C[C@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)C1CC=CC1)CC2 1857231537 DXAUTHJQAKLDBL-QGZVFWFLSA-N 425.510 2.383 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1857374277 XTDRBFCWQFYWSX-FQEVSTJZSA-N 431.558 2.164 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cn(CC=C)c(C(=O)O)cc3=O)cc21 1857890371 UGEAEZVVZWHQGJ-CQSZACIVSA-N 438.436 2.294 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3ccccc32)cc1 1858966811 SSHOTSBZFJVQQF-UHFFFAOYSA-N 439.493 2.396 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([C@H]4CCCO4)cc3)CC2)CC1 1889383671 KMPGHXAGJDLFQX-XMMPIXPASA-N 425.573 2.410 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 1890180044 SDDZJYPUKZJGNP-UHFFFAOYSA-N 428.533 2.245 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C1 1891374400 KXACXAHISRMGNB-CABCVRRESA-N 429.864 2.248 30 10 IEEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(COc3cc(C#N)ccn3)CC2)c1 1892091548 WOJJLFKXHVJLAW-UHFFFAOYSA-N 445.497 2.228 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCCC5)CC2)c1 1892116935 NHKPFYZPJFHEQU-SFHVURJKSA-N 435.553 2.379 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2009972659 RPEQZQAFHNSSCM-LHSJRXKWSA-N 441.525 2.426 30 10 IEEE C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2010230355 ZANYUNSGXFNYLS-QFIPXVFZSA-N 439.553 2.288 30 10 IEEE C[C@H]1[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2060624946 DSWBDAFHLBEFHH-ZFWWWQNUSA-N 432.330 2.360 30 10 IEEE C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248403812 GQMGKEPEVPTSAZ-YUNKPMOVSA-N 437.371 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CO1 2255527506 MTCPRYZAQFHLDP-AWEZNQCLSA-N 436.289 2.406 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255626946 MBOCHHUDGVUFGO-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255629687 ZSKDBIYAORKVMF-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255862340 RETABBBFQGYVLI-PEBXRYMYSA-N 431.342 2.301 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256641277 MLMOYSICZLXUCA-UHFFFAOYSA-N 436.293 2.261 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)C1 2267138496 YBNJYHRIJFIERL-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2267140979 UPWJQNGAKRQQGR-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267222050 VTEQVTJLBHWPMW-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2267516815 JGJLFXGJYLVWGQ-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267521129 QVIVCLIOBOHAIA-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE Cc1cc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267522286 WCRLHCSDPWKVCQ-QWHCGFSZSA-N 444.259 2.416 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2267523746 GRPSHUGWBNOXKG-SHTZXODSSA-N 448.373 2.235 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2267600834 MSRZWEGHZBGIGC-WNSKOXEYSA-N 445.369 2.454 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876493 NDXCXGTUDVDYRL-CABCVRRESA-N 446.357 2.294 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315529812 XPIZAQAOBFCLCT-AWEZNQCLSA-N 436.362 2.047 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315695056 IHJQFNBIKDEQJQ-CMPLNLGQSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2315696765 ISWBJCIMACOYCQ-CFVMTHIKSA-N 449.382 2.428 30 10 IEEE Cc1nnc(SCC(N)=O)n1N=Cc1cc(Br)cc(Br)c1O 2321124088 YZBSBELPZAFBMX-UHFFFAOYSA-N 449.128 2.277 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2322292427 CAWWKFDBOHGQHF-UHFFFAOYSA-N 439.337 2.285 30 10 IEEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337206999 VUORTFDGXZXVOP-LJQANCHMSA-N 438.381 2.456 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)nn(-c2ccc(F)cc2)c1N 25165927 DBYUVNSDJFRGQA-MRXNPFEDSA-N 448.506 2.221 30 10 IEEE CC(=O)N1C2=C(C(=O)c3ccccc32)[C@@H](c2ccc(F)cc2)c2c1n(C)c(=O)n(C)c2=O 33679131 VVDRELSBSXLGDF-QGZVFWFLSA-N 431.423 2.329 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H]([C@H]2CC=CCC2)[C@@H](C#N)C(=O)N3)C1 72445783 MOVZCVQOLZMIGM-JJXSEGSLSA-N 425.489 2.081 30 10 IEEE CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](OS(C)(=O)=O)[C@H](O)CO 103723479 DIGKQJJVWFSJQE-ZGXWSNOMSA-N 426.616 2.497 30 10 IEEE O=C(CON=Cc1ccco1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 254287458 GEABMLATCWIGKG-UHFFFAOYSA-N 427.482 2.316 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2ccc(C#N)o2)c1=O 440376771 BOIFGBPJDYXXIH-UHFFFAOYSA-N 429.379 2.316 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(-c2ccc(F)cc2)c1=O 478744706 IIWYNTXOSLTUEK-HNNXBMFYSA-N 438.480 2.438 30 10 IEEE CSc1nc(O)c(C(=O)NC[C@H](O)COc2ccccc2Br)cc1C#N 488436527 CHIHIXZISXNJFP-NSHDSACASA-N 438.303 2.313 30 10 IEEE Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1C 488819092 DJQLLMMNFIFAEY-UHFFFAOYSA-N 430.505 2.259 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 501961544 WNXHPGOROWVQHV-HNNXBMFYSA-N 428.518 2.373 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 502166355 ADZMZKCNZFVXFB-MJGOQNOKSA-N 434.562 2.340 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cc1 504635003 OBUHDSOHVGEOHQ-UHFFFAOYSA-N 443.500 2.271 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 508093877 GBVOBFYQTHMNGR-UHFFFAOYSA-N 442.541 2.398 30 10 IEEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCN(CCC)CC1 508873896 OXOUTNBOVDPAOL-UHFFFAOYSA-N 444.605 2.448 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 519511466 ZDWNHLUJIDNISK-UHFFFAOYSA-N 433.574 2.452 30 10 IEEE COCCn1c(NC(=O)c2sccc2C#N)c(NCc2ccccc2)c(O)nc1=O 524275210 RIMAUGFAGUOZAK-UHFFFAOYSA-N 425.470 2.393 30 10 IEEE COC(=O)c1sc(NC(=O)C[S@](=O)Cc2cccc(C#N)c2)c(C(=O)OC)c1C 526903605 QOQASQOBWSFCFP-GDLZYMKVSA-N 434.495 2.389 30 10 IEEE COC(=O)c1ccc([C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(F)(F)F)cc1 548175336 ZXLUBLKGRGUXBM-OAHLLOKOSA-N 438.410 2.528 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccc3)c2=O)n1 567557086 DKBQTCATHMAKSC-UHFFFAOYSA-N 445.544 2.428 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 610809806 IAHJKNYVELZYGX-OXQOHEQNSA-N 437.525 2.059 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](Cc3nccn3C)c3ccccc3)CC2)c1C#N 615989575 WBPOGEFZPQTUSY-HXUWFJFHSA-N 432.532 2.149 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3cc(C)ccc3C)c2=O)cc1[N+](=O)[O-] 730251506 GJPPCVZWQAIKOK-UHFFFAOYSA-N 432.461 2.459 30 10 IEEE N#C[C@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)C1CC1 731203126 KNPPYGZWSQXPSV-DLBZAZTESA-N 425.514 2.141 30 10 IEEE C#CCCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 733287752 PEOLWJFRYLQMGD-UHFFFAOYSA-N 438.509 2.038 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](c2ccccc2)N2CCc3ccccc32)CC1 733364859 RRBUOZWICIAKBX-VWLOTQADSA-N 430.552 2.074 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 739854124 LYAVCEFEIILFBC-XMSQKQJNSA-N 435.576 2.395 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 746189852 BIHPWCRNHOENJU-RUNIHZNKSA-N 434.290 2.266 30 10 IEEE COc1ccc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1C#N 747315907 QCNZGMZSLYNSTP-UHFFFAOYSA-N 430.486 2.338 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC1 750046257 VQJLPLCXFWDSBH-SLYNCCJLSA-N 427.574 2.369 30 10 IEEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760402897 YVDVBYIVDYZTTA-UHFFFAOYSA-N 439.559 2.069 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCN1C1CC1 767933788 BBJSFPNMNSXCQS-WBVHZDCISA-N 435.450 2.188 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 780635387 CENBZGMMHSUFPJ-ZSDSOXJFSA-N 425.526 2.389 30 10 IEEE COc1ccc(CN2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)c(OC)c1OC 780655532 XGPSTAADGQJYAZ-UHFFFAOYSA-N 425.489 2.006 30 10 IEEE Cc1cccc(C)c1-n1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782599253 AITBYFAEROTRBL-UHFFFAOYSA-N 440.326 2.039 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 786798546 VIGJNSADSGSLDV-INIZCTEOSA-N 429.517 2.336 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n1 788810595 XBQPYOCEFQEXLY-HNNXBMFYSA-N 432.883 2.337 30 10 IEEE C=CC[C@@]1(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790632762 CLDRDAKOJUXAIN-DEOSSOPVSA-N 448.608 2.489 30 10 IEEE N#Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)ccn1 795967181 UIEVSGHFBAJXDS-KRWDZBQOSA-N 433.468 2.480 30 10 IEEE CC1(C)SC[C@@H]1N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 802721160 QQMYCTJRIJFBIP-CABCVRRESA-N 432.571 2.280 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccsc2)[C@@H]1n1cccn1 814711067 BWZJYOSRBWNNHI-HWMZRRJGSA-N 433.559 2.431 30 10 IEEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 816311849 BEXOBFSRRPFDJS-NRFANRHFSA-N 425.452 2.013 30 10 IEEE Cc1nnc(SCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)n1Cc1ccccc1 916178703 LPRJDXSPCXQUKQ-UHFFFAOYSA-N 441.538 2.245 30 10 IEEE C#CCN(C(=O)CSc1nncn1-c1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 918756255 MZOKQBDFVXFQNS-SFHVURJKSA-N 432.571 2.132 30 10 IEEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 1084495942 HOPOWDXPLVERBG-UHFFFAOYSA-N 439.549 2.410 30 10 IEEE CCOc1ccc(C#N)cc1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1136389578 CNHWBJYLGCJJLU-UHFFFAOYSA-N 445.497 2.425 30 10 IEEE C=CCn1c(SCC(=O)N2CC(N3CCN(C)CC3)C2)nnc1-c1ccc(Cl)cc1 1139590349 RAPNOFJRQVEASB-UHFFFAOYSA-N 447.008 2.335 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1156560668 HPSDRVPPWUAMLL-INIZCTEOSA-N 438.962 2.380 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CCCS(=O)(=O)C1 1160432991 FUKXCGIGRRLHFB-APWZRJJASA-N 447.557 2.334 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)OC 1213735318 QSTOCLWTOYPUDF-CQSZACIVSA-N 434.308 2.412 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1cc(Cl)cc(I)c1 1230747313 YNPMQSVDGBDATM-UHFFFAOYSA-N 442.706 2.345 30 10 IEEE CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1272569655 CETBQFIPUJEYNV-KRWDZBQOSA-N 426.560 2.049 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1286317506 GSVQDPVQAGDLQM-UHFFFAOYSA-N 448.527 2.422 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@@]1(OCC)CCOC1 1286359616 FUUCMNLKZJJXSN-OAQYLSRUSA-N 430.578 2.122 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286392108 KRHUWBLZQGCKNJ-CQSZACIVSA-N 436.525 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1286412204 CSZBRCWJUWHILB-QHCPKHFHSA-N 427.618 2.292 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286446839 JNKIEXIBMWFVLK-UHFFFAOYSA-N 439.541 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286554045 WNGDDOBMEYEXLN-NQIIRXRSSA-N 442.564 2.038 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286564711 HNQZLAISMJAIGR-AZUAARDMSA-N 434.585 2.380 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286593225 KVNJXIQKFQULKK-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286606662 XFYWGHRYHKSSFS-FQEVSTJZSA-N 449.559 2.410 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286607692 UPTIBGOVPHTMRQ-UHFFFAOYSA-N 437.552 2.005 30 10 IEEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCCS2(=O)=O)CC1 1286664936 MKVMIEPCATVFOR-UHFFFAOYSA-N 445.589 2.338 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1286681368 MJTPCAXPAPLNTD-PMACEKPBSA-N 436.560 2.462 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286833498 FWZZQYFICHPQPB-QGZVFWFLSA-N 446.602 2.059 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1288999273 LEMKQDFMESXVML-SJORKVTESA-N 428.924 2.166 30 10 IEEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1291271593 CWWMKPHQJOCCIY-IWAYJWFOSA-N 428.537 2.151 30 10 IEEE CC[C@H](Cn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1)NC(=O)OC(C)(C)C 1292172599 APSMRWWTQGRGOH-GOSISDBHSA-N 440.552 2.483 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCN(CC#N)CC1)C2 1293713444 ZDCDNESLADKCDP-KRWDZBQOSA-N 430.505 2.038 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CCO1 1299134821 UULHLGURQIQMHM-KRWDZBQOSA-N 426.864 2.063 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300501496 LOWDOFFJTUSOIM-BBRMVZONSA-N 439.632 2.012 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)c(OCC)c1 1300532413 UYJHPNCTBHUNAD-INIZCTEOSA-N 443.454 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300554017 XMYLJRHBJFVKBF-KRWDZBQOSA-N 430.553 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCO[C@@H]2CCOC2)CC1 1300726562 PSMIBXXDERRUHE-LJQANCHMSA-N 431.581 2.028 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301032997 CYMTWILWXAQZKW-UHFFFAOYSA-N 427.944 2.160 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)cc2C1=O 1302236734 MREFDDZNQMBTCX-UHFFFAOYSA-N 431.489 2.082 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1303311544 BOTWPHMZCZGYMM-UHFFFAOYSA-N 437.592 2.194 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC2CCC2)CC1 1304696146 ICZOMZVDMIKCEJ-LJQANCHMSA-N 432.590 2.273 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(C#N)o1 1305121676 KMMKTEUYDSUAQX-OAHLLOKOSA-N 431.504 2.465 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 1306448483 FNGFPAUOJBIYDH-AGKXRFJRSA-N 441.532 2.272 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1308111949 BXTUHZHFXPDTLM-OAHLLOKOSA-N 427.578 2.118 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCO[C@@](C)(C#N)C2)cc1 1308115445 YFBBQURALJWPMS-QFIPXVFZSA-N 442.541 2.060 30 10 IEEE CN1C(=O)N[C@@H](C2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)CC2)C1=O 1314894307 MSTCQMLNGRWAOT-SFHVURJKSA-N 439.520 2.146 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CCCO2)C1 1344045904 XTLDEMGKDLWXBV-QZTJIDSGSA-N 432.546 2.309 30 10 IEEE Cn1c(=O)c2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)n(C)c2n(C)c1=O 1357891189 FQTDIQITZBLNJM-UHFFFAOYSA-N 425.514 2.420 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1358966333 MSTUIGCCQGCFNG-SFHVURJKSA-N 428.558 2.326 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359336474 RCEADFJMMIYSGG-SFHVURJKSA-N 448.637 2.123 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1360797040 JDXWLWWRHMNXNE-JPYJTQIMSA-N 438.532 2.246 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)CC1(C#N)CCOCC1 1435999252 YPOKCEDKOAEWNQ-KRWDZBQOSA-N 436.553 2.109 30 10 IEEE CCOP(=O)(CN(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)OCC 1452333153 HSEDBKNZCWMWDS-CYBMUJFWSA-N 431.451 2.186 30 10 IEEE Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)NCc3ccc(C#N)cc3)C2)cn1 1460656335 JVTASUPHZJQZBO-VQTJNVASSA-N 437.544 2.355 30 10 IEEE Cn1cc(-c2cccc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c2)nn1 1461719200 QNYHZELXFMNSQN-GOSISDBHSA-N 429.440 2.197 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)C1CCOCC1 1464964650 ZJOUEUHQWFNOAX-IBGZPJMESA-N 432.546 2.487 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C3CCCCC3)c(C)s2)CC1 1466598101 ISOHRXWPEQVPLC-UHFFFAOYSA-N 425.580 2.116 30 10 IEEE C=CC[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccncc1 1468884289 MSDGQHSLTSWJLJ-HXUWFJFHSA-N 429.546 2.061 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)nc([C@H]4CCCO4)n3)CC2)cc1 1472651802 ISKQMZCKEOGWNR-MRXNPFEDSA-N 433.921 2.364 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1478734355 BJGRMQQYDVRRMG-PMACEKPBSA-N 436.597 2.435 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 1478816762 YZOGRGHUFPOZPO-UHFFFAOYSA-N 427.526 2.283 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494265817 SIRMLSBKKCRKRT-ITZAQCPESA-N 442.907 2.350 30 10 IEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1501043878 HRWVWJHUWRCNMA-IBGZPJMESA-N 430.578 2.172 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CC1 1503888338 ALPQTUGXWWILRO-QFIPXVFZSA-N 436.472 2.206 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)(F)F)c2)CCO1 1505322718 AEHNRVMQWYKBOU-INIZCTEOSA-N 434.422 2.196 30 10 IEEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507577182 OOCQVSCNXPARAD-QGZVFWFLSA-N 446.349 2.381 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1C1OCCO1)[C@H]1CCS(=O)(=O)C1 1507623877 YRPIWJSXQPZUPO-SFHVURJKSA-N 444.557 2.122 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1507631414 DMCWQTWPMZXNQI-MSOLQXFVSA-N 434.587 2.451 30 10 IEEE C=CCNC(=O)Cn1c(N(C)C[C@H](c2cccs2)N2CCOCC2)nnc1C(C)(C)C 1508095087 SFADQKVFYRGTTQ-QGZVFWFLSA-N 446.621 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOC2(CCCCC2)C1 1508137804 RIJIEJWAWPFYFJ-UHFFFAOYSA-N 431.562 2.480 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCO)C1 1510288544 OWLBRWBNPSFJBW-QFIPXVFZSA-N 427.505 2.245 30 10 IEEE CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1513481680 LSZJXVNQTDPRAL-YRPNKDGESA-N 443.573 2.349 30 10 IEEE CC[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1513558809 AZFFJYJQWOKNNJ-JRWGXLCNSA-N 435.532 2.417 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@@H](C)O1 1514177618 DDEQVOGSVYQRIC-MJGOQNOKSA-N 441.532 2.274 30 10 IEEE CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1514727789 ZXNBLQNDGMPXHH-RWNPKEDZSA-N 428.537 2.325 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nncn1C 1517362977 JUOLQIHAUMULNA-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1530404668 ZMEDANNOZBWTAU-AZUAARDMSA-N 434.496 2.375 30 10 IEEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCC[C@@H](OC)C1 1530528224 QTVVRIZJCXDTTQ-YQVWRLOYSA-N 436.530 2.241 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 1533649321 HZLOMWDEOZSAIZ-XLIONFOSSA-N 448.589 2.386 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1537352500 FHECXFFCOYMFTM-JOCHJYFZSA-N 432.521 2.351 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1csc([C@@H](C)OC)n1 1539237380 CNGZORZVQPMZFU-IERDGZPVSA-N 429.546 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(C(N)=O)nc1 1539246973 UOHNWLDUIKYPKR-UHFFFAOYSA-N 449.312 2.323 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCN(C)C1 1539396989 WELULPKKZRCKMZ-VGSWGCGISA-N 447.967 2.224 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(O)c2)CC1 1539475994 PPKZHVYTWPWVHI-UHFFFAOYSA-N 446.511 2.068 30 10 IEEE C=C(Cl)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539819497 FPNSEETVHHPIDY-HXUWFJFHSA-N 438.960 2.065 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc2c1OCCCO2 1540198795 QABGFOWXVUUZAX-KRWDZBQOSA-N 427.505 2.078 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N 1540870462 NZQOBISFKNQWMP-INIZCTEOSA-N 445.568 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F 1540906850 DPVCUMWECKHMNC-UHFFFAOYSA-N 443.451 2.328 30 10 IEEE C[C@@H](CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)c1nccs1 1541831109 LYEZRQXEYYVCAS-JGWKNBOWSA-N 441.561 2.453 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1 1544608877 XTFLQOYSPPXQRU-GIKSKMNSSA-N 437.566 2.301 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1555454547 BHZBALKHIXMPQO-FPOVZHCZSA-N 441.532 2.397 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4CCOC4)n3CCOCC(F)F)CC2)cc1 1555990516 ZUXUHQJDTWGIRO-IBGZPJMESA-N 446.502 2.258 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CON(C(=O)OC(C)(C)C)C3)ccc2c1=O 1558658748 NHGBGFCOEQZBGC-ZDUSSCGKSA-N 432.502 2.152 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1C1CCCC1 1560145474 LESNXZXHMIQPTG-AUSIDOKSSA-N 427.568 2.483 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)Cc2cc(OC)cc(OC)c2)c1 1566388374 KCQLQWRFJBIFDB-GOSISDBHSA-N 445.537 2.082 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)s1 1567341134 SPKMEMDEGPKLLW-MRXNPFEDSA-N 440.509 2.307 30 10 IEEE C=CC1(CC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CN(C(=O)OC(C)(C)C)C1 1570589689 ICRNQICCIMXUKT-HNNXBMFYSA-N 436.530 2.151 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CCCN1C(=O)OC(C)(C)C 1583400601 TUEFMCZUJQHPLI-DVECYGJZSA-N 440.544 2.482 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] 1586587050 VHHZGEBRWJGLMW-LZLYRXPVSA-N 438.488 2.451 30 10 IEEE Cc1nc(SCC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(C#N)c(C)c1C 1587711066 YIYPFYADBCFJCS-IAGOWNOFSA-N 434.562 2.457 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1587822882 DWPWJXQAEQXCAE-UHFFFAOYSA-N 446.515 2.082 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1 1587904894 FPVJNOLOLHBMGF-IBGZPJMESA-N 432.523 2.164 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1588035690 XDXJCCLZIQCODF-AWEZNQCLSA-N 438.351 2.008 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588045814 RDEHYGMMUWCPNC-AVRDEDQJSA-N 445.589 2.154 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588049941 NUFGSBQTHFWPKC-SFHVURJKSA-N 445.589 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1588174242 UTDQFGXDCTWWNX-UHFFFAOYSA-N 449.946 2.415 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589560149 XCHVWJMOCJVBQZ-PXNSSMCTSA-N 437.610 2.072 30 10 IEEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1594247832 QTQSZWPWHQNWSV-DQRAZIAOSA-N 433.516 2.193 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCSC1 1595243760 DTMAEBYYFFHKJB-OAQYLSRUSA-N 431.562 2.210 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC1CC1 1595537022 LRJLLQLXJKUBJG-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE C#CCC1(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CCOCC1 1598176066 JPNFBYJNMYXXQW-UHFFFAOYSA-N 436.438 2.048 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC=CCC1 1608580186 ZAUGBMRBCIBMKM-QZTJIDSGSA-N 449.563 2.149 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCC(=O)N1 1613314544 JIDJCZXQGCQDBV-HZPDHXFCSA-N 425.512 2.408 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1614224121 HCEXLRCVNYWZEM-XGIGFIBQSA-N 436.516 2.395 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1615094948 KOSTWSNABNQIFC-FQEVSTJZSA-N 447.547 2.345 30 10 IEEE N#C[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1cccc(C(F)(F)F)c1 1616361697 YDLBLCXRBQQJFL-OAHLLOKOSA-N 430.383 2.285 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O 1618022197 QIQKVUAMLAWXRJ-VQTJNVASSA-N 444.576 2.257 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1624539239 DVZUAGALPVVHBG-QGZVFWFLSA-N 442.988 2.035 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC(=O)C3CCC(F)(F)CC3)C2=O)cc1 1630535314 BHVIVTVGFDPHAT-MRXNPFEDSA-N 432.427 2.274 30 10 IEEE O=C(C#Cc1cccs1)NC[C@@H](O)COc1ccc(I)cc1 1631342898 BLRGPRSSXSUJEK-CYBMUJFWSA-N 427.263 2.260 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CSCN1C(=O)c1ccc(OCC)cc1 1632228955 XACHIQKWIUBWCG-GOSISDBHSA-N 432.542 2.404 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)cn1 1633613074 RLPBWCWLOVUWSY-UHFFFAOYSA-N 435.463 2.274 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)CCCN1C(=O)OC(C)(C)C 1634794959 IXTVWGAYPLOKMV-HSZRJFAPSA-N 426.322 2.457 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 1635243166 MWLPULQHECABTM-ZSXWFXDASA-N 447.484 2.406 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCc3c(sc(N)c3C#N)C2)c(OC)c1 1636714544 WAPIYKJVCJRIIH-QGZVFWFLSA-N 440.525 2.409 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)s1 1637849237 SGPHSXANNLCIEV-BPUTZDHNSA-N 426.560 2.088 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[S@](=O)C[C@H]3c3cnn(CC)c3)n[nH]2)c1C 1639899402 DNEGZJQKDQCULY-RQZFFVEVSA-N 441.561 2.238 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)ccc1F 1642675840 GRVUJYCDAJPZLF-OALUTQOASA-N 429.517 2.389 30 10 IEEE C[S@](=O)(=NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(Br)c1 1647899122 ZHYPWTRJWQNFLW-UPTOSOBMSA-N 426.292 2.349 30 10 IEEE C#CC1(F)CN(C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)C1 1651092098 CQACQIZCZHYRQS-UHFFFAOYSA-N 445.491 2.134 30 10 IEEE CCN1CCN(c2ccc(NC(=O)CN3CCN(c4ccc(C#N)cc4)CC3)cc2)CC1 1654544153 ZQTJJJFVHJUYKE-UHFFFAOYSA-N 432.572 2.461 30 10 IEEE N#Cc1ccc([C@@H](O)CN2CCNC(=O)[C@H]2c2ccc(I)cc2)cc1 1655783678 KAORHICEXAZMBT-ZWKOTPCHSA-N 447.276 2.369 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 1661889886 ZDRJQZNUHBFODQ-UHFFFAOYSA-N 439.581 2.317 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)C1 1665457081 GEDDKVATCBCRNW-HNNXBMFYSA-N 429.336 2.002 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CNC(C)=O)cc2)cc1 1667955696 BGSOWRSZHCUOOA-UHFFFAOYSA-N 430.530 2.451 30 10 IEEE C=C[C@H](C)ONC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1683557047 ZARJOCWMHGPPKW-UAGQMJEPSA-N 437.541 2.070 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1690023915 MJXBOVJVJMQINP-RUZDIDTESA-N 431.540 2.156 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(COC)CCOCC1 1690026567 DYOQAUDSNINDOD-UHFFFAOYSA-N 433.512 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1690045871 SAHTVGIHXTZSSL-IBGZPJMESA-N 431.475 2.065 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C 1690092245 AYERDAJDYVUDQE-HKUYNNGSSA-N 426.521 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccccc1Cl 1690106436 WNFDQLVHGDPQNM-JOCHJYFZSA-N 445.951 2.048 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1690183102 MDRPJNCDBRNXQA-IBGZPJMESA-N 443.548 2.484 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690360921 BJCCCPHFHBIJOE-FUHWJXTLSA-N 436.988 2.451 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1697778078 WLEISXRDPWDRGX-RBUKOAKNSA-N 425.468 2.113 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1705533360 LTWIEZJKZAALME-UYAOXDASSA-N 434.544 2.289 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC)c(OCC)c1 1705551860 SGUDMSSXQQVFDE-SFHVURJKSA-N 446.573 2.290 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705736549 WGPVTIGHMZMUTN-RXVVDRJESA-N 430.597 2.127 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1705824873 CPJLAMDQRSAWDF-UHFFFAOYSA-N 428.537 2.041 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCS(=O)(=O)C1 1705877526 KFKYASDJGNGDQE-LJQANCHMSA-N 445.589 2.086 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCOC2)C1 1705897048 FJJWUNRKGCBSLP-AOMKIAJQSA-N 429.496 2.476 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCSCCCO 1706420140 FAWUCQJAUJROCW-UHFFFAOYSA-N 429.594 2.185 30 10 IEEE CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1706533965 WWZAXGIYZWVRMM-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1706672767 VIEXYFNOJATRRF-RTWAWAEBSA-N 436.532 2.065 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1707575102 IFQBRSRIQKONJO-QFIPXVFZSA-N 439.495 2.212 30 10 IEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)n1 1707943826 NFFIIVOJNANUEW-UHFFFAOYSA-N 443.533 2.012 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711119470 DQPLFGZPJOAOGM-ZPHPHTNESA-N 444.927 2.095 30 10 IEEE CN(CC1CCOCC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711164638 GCYWFPNMNYLAKD-DQRAZIAOSA-N 442.564 2.400 30 10 IEEE COCCOCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1712610702 GNLVJWBIDYWWGN-MRXNPFEDSA-N 435.912 2.389 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1722287872 RLEMXBPBYFIAAB-INIZCTEOSA-N 425.514 2.281 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722364115 XJTUIAXLWKIFSE-SFHVURJKSA-N 426.498 2.222 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1722364260 YNGXPTXKTWJEOL-PGRDOPGGSA-N 428.558 2.449 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722371068 GSTZNBKYPMZKDO-LJQANCHMSA-N 434.606 2.454 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722620378 RISLESALDHHVTB-UHFFFAOYSA-N 449.625 2.356 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1722659834 DSTALKXGUWMFAW-PGRDOPGGSA-N 429.496 2.366 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1722729185 XUJYEBURWKHYLQ-RLLQIKCJSA-N 446.573 2.349 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1c(F)cccc1Cl 1723911499 HDYAWKMVVUJFOM-NEPJUHHUSA-N 428.921 2.467 30 10 IEEE CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1726792894 HAXHABPCPAYKIN-KRWDZBQOSA-N 426.569 2.458 30 10 IEEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728955732 WNPSCJLTOJZZQW-WPCFFEEUSA-N 444.536 2.051 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)C1(OC)CCOCC1 1740556206 BRSYWXQIUVXTAH-MRXNPFEDSA-N 436.507 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCS(=O)(=O)C1 1740648571 MOTLLVXOODZKBV-MRXNPFEDSA-N 431.949 2.281 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC2CCOCC2)CC1 1740768768 XMRURZQOMSHKQB-UNMCSNQZSA-N 433.597 2.344 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740792037 SZOAHSXZJTZVNJ-GHTZIAJQSA-N 426.565 2.398 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740868162 FTPFXTMFAZZHCN-KBPBESRZSA-N 439.504 2.402 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740880139 DJDXZCGYQJULDG-UHFFFAOYSA-N 444.511 2.001 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1740897420 GSBFENAINKEOSC-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C)C1CC1 1740907053 OIDNKSDZTMNXBS-UHFFFAOYSA-N 435.536 2.380 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1740918314 NYWMSJABZJOJBX-FQEVSTJZSA-N 445.589 2.400 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccc2F)CCOC1 1741733377 VOPULHURXQVDSC-AVRDEDQJSA-N 429.496 2.429 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@H]2CCOC2)n1 1742700237 RSUXCSMZSMQKGB-WIYYLYMNSA-N 431.516 2.025 30 10 IEEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cs1 1744487999 GCEZDAWIWFSXDQ-CYBMUJFWSA-N 437.595 2.086 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1747432423 BARULNUPUJMLFG-UHFFFAOYSA-N 437.957 2.063 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1748637800 GHCWNSKLXOJVLY-APWZRJJASA-N 438.532 2.040 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748820492 COWGESDKUWAHHJ-INIZCTEOSA-N 426.464 2.252 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCSCC2)cc1 1748841362 ZXIUAIANGZEXIX-UHFFFAOYSA-N 431.569 2.353 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCOCC2)CC1 1748983591 USHYSRCGRXQJLJ-UHFFFAOYSA-N 428.968 2.076 30 10 IEEE C#CCSCCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1C(C)(C)C 1749049171 FHBBYJPVMYVGKA-UHFFFAOYSA-N 429.594 2.376 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1749243871 ABLPEKZHDIAGGZ-BQFCYCMXSA-N 431.562 2.200 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCC2)C1 1749696112 QBAQXDKRWBNDAM-SFHVURJKSA-N 446.573 2.435 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCc1n[nH]c(C)n1 1749808534 GYIKHZUPNONTPY-LJQANCHMSA-N 436.520 2.324 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1751095706 ZFGSEJLMQLNODM-OAGGEKHMSA-N 430.475 2.174 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cnn(C)c1 1760095898 BTRFCOTUNREOJS-SJLPKXTDSA-N 426.569 2.057 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC 1760096399 LBKCMLSZEVKECH-HNNXBMFYSA-N 444.967 2.482 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760133409 CURVAHXPLHUENG-KRWDZBQOSA-N 446.437 2.492 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760156975 AAYULKLWZLZKMX-HXUWFJFHSA-N 435.553 2.321 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1760185774 DGDFZLHTTRKLAC-IBGZPJMESA-N 448.564 2.186 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCC1 1760231763 FXUNXJOQTOXPKJ-UHFFFAOYSA-N 429.594 2.184 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C)C(C)(C)C1 1760246254 UPCBEIOMMXVUPB-UHFFFAOYSA-N 445.999 2.106 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760359609 SNVLNDSCDHEJBT-YADHBBJMSA-N 440.592 2.404 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCCOC)CC1 1760389552 MZYUFRBJURNPBC-LJQANCHMSA-N 446.573 2.410 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1760467648 PGLSKLIIFDUCMC-UHFFFAOYSA-N 443.577 2.061 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1)C1CC1 1760470327 NLUXXJBJWSDUDA-INIZCTEOSA-N 445.593 2.087 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1760514425 FLORCIXDPXXAJV-ZDUSSCGKSA-N 432.475 2.120 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760566058 KDQSRWGHXWQYNL-IAGOWNOFSA-N 449.602 2.152 30 10 IEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1760852358 HFLPJVSYCRWVQS-INIZCTEOSA-N 436.520 2.180 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761025913 HVTHUZKYFUHWNX-KHOFPDMRSA-N 441.580 2.068 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1761322387 OPOXVPACYIINIR-JOCHJYFZSA-N 427.505 2.149 30 10 IEEE Cc1cccc(O[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1761702385 HKGBFZCBKNHEDG-DLBZAZTESA-N 446.577 2.404 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(OC)CCOC1 1761872142 GBDDLDUADVXVNO-JTSKRJEESA-N 425.537 2.190 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2c(C)nn(C)c2C)CCOC1 1767448266 ABILIRQJNANIKE-VXKWHMMOSA-N 427.553 2.459 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1769368528 GBJYIKQMPQGXKK-IPELMVKDSA-N 428.562 2.381 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@H](C)C2)CC1=O 1769876677 CJDRWTOHSGDGJQ-SJLPKXTDSA-N 440.573 2.253 30 10 IEEE COCc1nocc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1770885063 DSGGXBPCSZUAQS-LZLYRXPVSA-N 430.509 2.108 30 10 IEEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(C)C)[C@@H]1CCN(C)C1=O 1849206093 XYUVDOQTZUDNFF-SJORKVTESA-N 445.944 2.027 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)OCCn2ccccc2=O)[C@H]1c1ccc(C#N)cc1 1849278865 GLAGSIBXVWPEMM-NHCUHLMSSA-N 425.510 2.357 30 10 IEEE COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851519730 QGCHXBHISSKANC-LBPRGKRZSA-N 447.435 2.227 30 10 IEEE C[C@H]1Oc2ccc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)cc2N(C)C1=O 1851616803 OZYPAXOYAYXKCN-SNVBAGLBSA-N 433.408 2.305 30 10 IEEE Cc1nn2c(C)c(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCN(C)CC3)cnc2c1C#N 1851753923 YMKJLPFXFJLGAV-NRFANRHFSA-N 435.507 2.075 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 1852115833 GXDZEMILVFFPHU-NRFANRHFSA-N 442.516 2.199 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCSc2ccc(OC)cc2)C1=O 1854219891 UNLIOXKMDDJOBR-RTBURBONSA-N 431.558 2.024 30 10 IEEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2)CC1 1855603828 KFURRQBMQKJARA-ZWKOTPCHSA-N 430.574 2.314 30 10 IEEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862627721 RHGNEXUDRIHAFE-HXUWFJFHSA-N 449.419 2.371 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862643850 WYQCCGSVMYZPAH-MGNBDDOMSA-N 446.387 2.407 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1864950398 NLICHVNRMWMOAS-INIZCTEOSA-N 427.461 2.466 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1866581172 ZUMLUIZYTBZOPR-OXJNMPFZSA-N 443.500 2.188 30 10 IEEE COc1ccccc1-c1nc(CC(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)c(C)o1 1866671842 SVXJUSKPQIPJIO-LJQANCHMSA-N 434.452 2.189 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)c1 1867175497 HGQMCMVRSATXTP-IBGZPJMESA-N 430.468 2.085 30 10 IEEE Cc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1C 1870150535 FPXNIPAAWKJLAQ-INIZCTEOSA-N 444.451 2.446 30 10 IEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870235719 ZAGHKOJVIHNGGY-UHFFFAOYSA-N 442.541 2.221 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN(CC)CCO 1870653282 AJDQDAFQFSMOAO-UHFFFAOYSA-N 433.936 2.197 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874292721 NMFMULFBXNVAQZ-UFFVCSGVSA-N 442.457 2.234 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1908265468 QSBUGLXIJZLIQW-ZCNNSNEGSA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N[C@@H](CS)C(=O)O)C1 1984899148 JAEDZXLWLSLNEM-KKSFZXQISA-N 438.546 2.330 30 10 IEEE C#CC1(O)CN(C(=O)c2cc(I)cc(NC(=O)OC(C)(C)C)c2)C1 2009778446 ZJUFISCBUFTYAI-UHFFFAOYSA-N 442.253 2.458 30 10 IEEE C=CCn1ncc(NCCN(CCOC)C(=O)OC(C)(C)C)c(Br)c1=O 2106047147 KGEQUHQQCKLXIK-UHFFFAOYSA-N 431.331 2.487 30 10 IEEE COc1nc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2116137665 BEOQYZIMODCIFZ-RTBURBONSA-N 436.365 2.353 30 10 IEEE NCC#Cc1ccc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 2145992272 VZQIZSNNBZHRRV-UHFFFAOYSA-N 425.510 2.205 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2247429732 XUYBODXEIPLGTH-MRXNPFEDSA-N 442.557 2.309 30 10 IEEE CCc1nc(C(=O)NCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247907127 WIVSAADUFNHQQJ-UHFFFAOYSA-N 441.359 2.191 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247923131 SSDCZQRWIPUXFB-QWHCGFSZSA-N 437.371 2.333 30 10 IEEE Cc1c(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534926 NVCKUMUXGWTSDL-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255537903 COWQXAPDWANKFZ-JLCFBVMHSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2255538837 QGQPYCMDGXTKTA-CYBMUJFWSA-N 448.354 2.027 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c1 2267011933 MSROTEHOCWLASM-UHFFFAOYSA-N 448.325 2.275 30 10 IEEE Cc1cc(C(=O)Nc2nc(CNC(=O)OC(C)(C)C)n[nH]2)oc1B1OC(C)(C)C(C)(C)O1 2267129640 DHTHRYKMLCVYPE-UHFFFAOYSA-N 447.301 2.282 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C 2267266161 NHRRKZOYHDVNLJ-YXJHDRRASA-N 445.369 2.310 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267497192 KBPPFXDWHPTNJT-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267504908 ZUVZNTYKIQGDSV-GASCZTMLSA-N 448.373 2.061 30 10 IEEE C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267873397 PGZGXXCKSHPDIR-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268632632 MJUAAANUBAPNGH-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE Cc1nc(NC(=O)[C@@]23C[C@@H]2[C@H](NC(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268650452 PDZROKBPCPKMFW-DZKLMBRESA-N 444.341 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2315292480 DAVAFQIWCVKERU-CQSZACIVSA-N 436.362 2.378 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335456629 BTDNUCSTRNEKEH-HZPDHXFCSA-N 445.379 2.327 30 10 IEEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(Cc2ccccc2)CC1 14159610 YRIVSMPHYMHXTH-UHFFFAOYSA-N 441.605 2.200 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CC(=O)N2CCCCCC2)CC1 218958914 CJDKOCPOCRIHPI-QGZVFWFLSA-N 443.617 2.456 30 10 IEEE Cn1c(O)nc(=O)c2c1nc(NN=Cc1cccc([N+](=O)[O-])c1)n2CCc1ccccc1 254302769 DFVVOBWOZNCTOF-UHFFFAOYSA-N 433.428 2.433 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(I)cc1Cl 410421328 VFJNXQIACJQLHK-VIFPVBQESA-N 427.695 2.370 30 10 IEEE C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 437562491 XGJKOCPHZNTQSH-WIYYLYMNSA-N 440.569 2.277 30 10 IEEE CN(C)S(=O)(=O)C[C@H](NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F 483775024 PTRPAUSZVUUKBI-WDEREUQCSA-N 439.353 2.393 30 10 IEEE CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(c2ccccc2)C1=O 488291239 WAIZLJQKHPBXFU-NHCUHLMSSA-N 431.496 2.106 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)ccc1F 488983028 YWPZUYRAWMTISS-UHFFFAOYSA-N 436.896 2.296 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)Cc1cnc(OC)nc1C 506930563 WMCSCTOGACWSPA-UHFFFAOYSA-N 433.465 2.263 30 10 IEEE COCCN(CC(=O)N(C)C1(C#N)CCCCC1)CC(=O)N(C)C1(C#N)CCCCC1 507316617 UTBBLBVGXMWYOE-UHFFFAOYSA-N 431.581 2.305 30 10 IEEE COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 517353955 XXHHJEIFJKBTPF-SFTDATJTSA-N 425.510 2.203 30 10 IEEE COC(=O)c1c(NC(=O)CN2CCN(c3ncccc3C#N)CC2)sc2c1CCCC2 533223127 NPKFCRGXZVISFD-UHFFFAOYSA-N 439.541 2.441 30 10 IEEE COc1ccc(C[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 536084624 DHGZSARLIUFESM-QGZVFWFLSA-N 427.526 2.279 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544081834 WXADURJEWSWKBY-UHFFFAOYSA-N 436.493 2.219 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 549644638 AAHMGTBDINTAJS-HXUWFJFHSA-N 445.527 2.351 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2noc(C)n2)C1 549706117 RENYIHJLZJHCSC-AWEZNQCLSA-N 429.506 2.115 30 10 IEEE COc1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F 550124098 KCLOURUKAOKEFC-KUHUBIRLSA-N 438.459 2.195 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C(C)C 581457355 RBTSECZULLRURM-GOSISDBHSA-N 437.541 2.351 30 10 IEEE Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608925530 MEIAEZPUAAWUDX-UHFFFAOYSA-N 428.496 2.162 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OC 730086765 QZNXJAJRDCZUOB-PMACEKPBSA-N 433.549 2.282 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](NC(=O)NCc1ccccc1)C(C)C 734291475 QXNZQEVDUSZOLQ-LJQANCHMSA-N 428.514 2.196 30 10 IEEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)c2)s1 739975847 GQYKYHOMPBDWCI-UHFFFAOYSA-N 433.536 2.413 30 10 IEEE N#Cc1ccc(/C(O)=C(/C(=S)NCCN2CCOCC2)[n+]2cc(O)cc(Cl)c2)cc1 762439400 RXQMHXOEVVRMPK-UHFFFAOYSA-O 445.952 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 772544544 AJWAPSKWWLDGRQ-INIZCTEOSA-N 439.559 2.247 30 10 IEEE COc1ccc(Cn2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)cn2)cc1OC 778723511 BJOIFBIPFULINS-UHFFFAOYSA-N 446.529 2.482 30 10 IEEE N#CCCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 779257188 RQMDJYIONZCPAD-VHSSKADRSA-N 439.484 2.488 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)c1cc[nH]n1 789950214 PJRWDPNVEAIZTE-QGZVFWFLSA-N 430.461 2.074 30 10 IEEE C=CC[C@@]1(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790772638 OSBODHTVTJVIHS-CVDCTZTESA-N 437.581 2.282 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC([C@H](O)c4ccccc4C)CC3)CC2)o1 796418130 OOPAJGIRSGQTMY-QHCPKHFHSA-N 437.544 2.257 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 805588675 BYPYTBFHNHJXQR-NXHRZFHOSA-N 445.491 2.257 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@H]1CCCS(=O)(=O)C1 807930442 SJNYWHDTQVHAOI-CRAIPNDOSA-N 449.598 2.420 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCc1ccc(C#N)cc1 808655433 LADDGJYHKIYOBS-UHFFFAOYSA-N 443.525 2.250 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 809885674 KQSPTWVFBDGQPK-QGZVFWFLSA-N 448.568 2.077 30 10 IEEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 812102803 WZNMJFMKIYQISG-IIBYNOLFSA-N 434.541 2.363 30 10 IEEE N#Cc1cccnc1NCCNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 916640366 CQKQWBGBOFMYKO-UHFFFAOYSA-N 436.560 2.435 30 10 IEEE Cc1cc(I)cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 1124650900 NCKCSHYQYPEDMG-UHFFFAOYSA-N 437.241 2.283 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(c4cccc(Cl)c4F)=NO3)CC2)c1C#N 1128031730 ZXZBEXVHUIEBRX-QGZVFWFLSA-N 430.871 2.235 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(-c4cccc(Br)c4)no3)C[C@H]1CS(=O)(=O)C2 1134429374 ZXUGSKQLGVYPPT-YVEFUNNKSA-N 436.287 2.114 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1136920040 GFAOZEYCNJFFNG-MRXNPFEDSA-N 425.482 2.156 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 1143421245 XMEQNPWSKMTSLS-IBGZPJMESA-N 445.541 2.229 30 10 IEEE CN1CCC(N2CC[C@@H](N(C)C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1145065410 LFTNVAIAHAKHDX-OAQYLSRUSA-N 432.609 2.264 30 10 IEEE C#CC1(O)CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)C1 1158398771 WYDXUNRCUISOOF-UHFFFAOYSA-N 440.565 2.052 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)C1 1177759467 QEERPPKLLKQQJM-ICSRJNTNSA-N 440.544 2.292 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OCC 1194187243 QYGRZWXNMHVGAB-GFCCVEGCSA-N 432.296 2.207 30 10 IEEE COC(=O)c1cccc2c1CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1225935945 BNWPLSLTUVAMMI-YJBOKZPZSA-N 428.489 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286300764 DNYHAZCBTJNHDE-RBUKOAKNSA-N 425.533 2.118 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCO[C@@H]1C 1286368409 YSRMYADNESLKKG-YJYMSZOUSA-N 435.322 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286425260 GSCSSWXNJSWVOP-UHFFFAOYSA-N 436.516 2.097 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CCO1 1286941013 JXUDCEGEDVBJTK-LJQANCHMSA-N 440.891 2.453 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1289453431 ARSXEJKCZNQPGG-JTSKRJEESA-N 444.486 2.492 30 10 IEEE Cc1cscc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1290354519 CZPDXBJIWUYLFB-KRWDZBQOSA-N 443.554 2.496 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1291326880 BPBQKILCSCFHAZ-LSDHHAIUSA-N 434.591 2.086 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)C1 1299074848 QKBIWCLHJVQUHR-AWEZNQCLSA-N 425.880 2.469 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300362100 KQLXBTITJFBWJP-LJQANCHMSA-N 439.564 2.409 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300482428 FPIYFYXRZZKEFB-QGZVFWFLSA-N 434.949 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCO[C@H]1CCOC1 1300577862 DFLLKSGXAMOAQL-SIKLNZKXSA-N 436.512 2.449 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)n1 1300675688 GIYTVCDKEAOBRT-UHFFFAOYSA-N 445.527 2.214 30 10 IEEE COC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1)OC 1301013961 YDCUSSCWMFCHAR-ZIAGYGMSSA-N 436.310 2.098 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301258313 PUUVCAMDFIWVRB-HSALFYBXSA-N 430.505 2.233 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1301593455 NVXILEAWYLVOIQ-HKUYNNGSSA-N 432.546 2.134 30 10 IEEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301620817 LSJWKIDFANPHDI-QGZVFWFLSA-N 428.562 2.299 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1c(C)coc1C 1302092319 IJTPAJSEEDABFV-PKOBYXMFSA-N 428.537 2.437 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1302251275 VCMRYSSSDUHKOS-DDZPESFYSA-N 443.573 2.421 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 1303391709 XWENXMWNCMRNOY-GOSISDBHSA-N 429.498 2.248 30 10 IEEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C2CC2)O1 1305188221 NLCVHBRPIVCKTG-YBTPXPDKSA-N 442.564 2.397 30 10 IEEE CS(=O)(=O)c1cccc(CNS(=O)(=O)c2cccc(Br)c2C#N)c1 1309498662 AKIWWLOFROZPHY-UHFFFAOYSA-N 429.317 2.203 30 10 IEEE COCCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1316052028 JEEFTHYZGSEQQP-TZIWHRDSSA-N 441.532 2.364 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)cc1 1355745375 LLSSJSDSNAVLFD-JHGYQWQCSA-N 432.546 2.134 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC1CCCCC1 1358877892 MFEHKDCQKHRKPQ-INIZCTEOSA-N 443.573 2.255 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1358947575 FMPJMEGHMSCSIF-RBUKOAKNSA-N 446.596 2.183 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1358967905 VIRILLRHELQHAH-KRWDZBQOSA-N 430.530 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1COCCO1 1358971602 BEFDBZGWSGSGHD-MRXNPFEDSA-N 445.317 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNC(=O)C(C)C 1358975721 BYZFVHKNLKYYRB-UHFFFAOYSA-N 429.528 2.366 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CCC)CC2)CC1 1359043513 WSHCOWCAAWKQCW-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1359044637 KVBINKSUXMZDFM-UHFFFAOYSA-N 444.580 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC)c(O)c2)CC1 1359045252 AMJBFZLAMOFKAN-UHFFFAOYSA-N 425.533 2.205 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1359068000 KJKAXZDMLMEBES-PPEFQKSUSA-N 441.495 2.335 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359203666 SWXGZRGYAKWXMP-QZTJIDSGSA-N 425.599 2.246 30 10 IEEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1359274034 XVCRODOMHORXGM-MRXNPFEDSA-N 428.562 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccco2)C1 1359330502 UHCCCXGVJBHABY-SFHVURJKSA-N 429.502 2.112 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cnn(C)c3)n2Cc2ccc(C#N)o2)CCOC1 1360325411 DZESANTZDMHDPZ-NRFANRHFSA-N 425.493 2.202 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nn1 1435464022 BKMCAANKTSHWDC-UHFFFAOYSA-N 447.337 2.013 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1442631902 HPGDUWSSSHZTEO-HXUWFJFHSA-N 431.581 2.293 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1443765478 VOQCIGMQVFPFKI-HNNXBMFYSA-N 437.990 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4ccc(C#N)cc4[N+](=O)[O-])C3)[C@@H]2C1 1458549655 NOXYRPFJHRLVPA-QGTPRVQTSA-N 443.460 2.485 30 10 IEEE C=CCOCCCNC(=O)c1cc(I)ccc1N1CCOCC1 1461634655 NZVBPTNMCILEEA-UHFFFAOYSA-N 430.286 2.450 30 10 IEEE Cn1cnnc1C1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1462773080 DBAVELXCBRRMNH-UHFFFAOYSA-N 428.287 2.157 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 1464226727 IHMQHNLLEZQGEQ-IBGZPJMESA-N 433.534 2.075 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OCC(=O)OC)cc2)c1 1467267544 OFMVJMCYFHQJFA-UHFFFAOYSA-N 429.494 2.308 30 10 IEEE COc1cc(CNC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)ccc1C#N 1467814183 HKGXVXGNNBBQJI-UHFFFAOYSA-N 428.493 2.393 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)C1 1469544949 LHAPAJKQFHKAPC-DVECYGJZSA-N 437.544 2.486 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)n(C)n1 1492724313 AGKYBSVDJNYQSD-UHFFFAOYSA-N 432.532 2.212 30 10 IEEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1493694136 AKMMEXULJBEVLR-ZWKOTPCHSA-N 442.589 2.172 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)OC 1495032401 DIOCOJFJPRBWDX-VQIMIIECSA-N 426.521 2.116 30 10 IEEE CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1501426554 FWHUSWVEMMGQEB-OAQYLSRUSA-N 445.527 2.192 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CSCCS1 1503103635 GTYZAVWRSXEYHX-QGZVFWFLSA-N 445.618 2.256 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCCO)CCO2)c1 1505317482 NAFLHGZBTCCJBM-JOCHJYFZSA-N 448.527 2.112 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507583940 XVDDXNLATUOTIN-QGZVFWFLSA-N 433.516 2.312 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCCCC2)CC1 1507732406 MINWHKMJRCIKPL-UHFFFAOYSA-N 439.560 2.316 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)c2ccccc2)CC1 1507738760 XTPKEECWLADHBD-OAQYLSRUSA-N 445.527 2.089 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1507847068 FJTPWVBYEDVQCX-HSZRJFAPSA-N 443.523 2.230 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507859597 ALBDPCORBINQSA-UHFFFAOYSA-N 434.953 2.429 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CC1 1508040847 CEENSMGJUSMDPG-HKBQPEDESA-N 442.545 2.144 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(F)(F)F 1508090975 KRBHUXNWZLQXFT-HNNXBMFYSA-N 425.411 2.481 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)C1 1508127546 YFDLQVMJFWJCMJ-YJBOKZPZSA-N 433.459 2.368 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCS(C)(=O)=O)CC1 1510289213 KIHZLQRBEUMHOP-UHFFFAOYSA-N 432.506 2.418 30 10 IEEE CCc1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1513806954 PLJZTHURECDACL-VHEBQXMUSA-N 434.422 2.421 30 10 IEEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1514199550 IXOTZWYTMOCOAT-UEKDZROGSA-N 444.561 2.085 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCSCC(C)C 1516586046 FNZRABCJZCPZQW-UHFFFAOYSA-N 446.625 2.444 30 10 IEEE CSc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 1537956545 GNKLEABWFMEAAA-UHFFFAOYSA-N 449.529 2.370 30 10 IEEE O=C1C=COC2(CCN(C(=O)[C@H]3CC(=O)N(CCOc4ccccc4Cl)C3)CC2)C1 1538582617 HTJYRGPZBVCOTR-INIZCTEOSA-N 432.904 2.432 30 10 IEEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)CC2)C1 1538886509 BVGDPONJUGWXKS-LJQANCHMSA-N 432.542 2.093 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)(C)C 1538982326 DLZLNPLGMJSTQW-HNNXBMFYSA-N 431.562 2.111 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1539153682 IIZIYCCEFXIHRV-IBGZPJMESA-N 439.438 2.492 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1nccnc1C 1539232509 GLMDMPXTURJFEK-UHFFFAOYSA-N 447.930 2.275 30 10 IEEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1539385543 HZKYWXRMVIXSBG-CRAIPNDOSA-N 426.425 2.297 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1539408784 CQMKVYIZQOYUIL-FQEVSTJZSA-N 446.433 2.271 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC2CCCC2)nc1 1539412679 CBBGXUDLPMTVSQ-IBGZPJMESA-N 438.532 2.080 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NCC)CC1 1539526235 GCDWJPADWZWOHO-UHFFFAOYSA-N 442.589 2.383 30 10 IEEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1540155038 JKRSGYLSFOHRJI-NQIIRXRSSA-N 438.594 2.322 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1540875375 JRNNBUXMHATBMW-INIZCTEOSA-N 448.518 2.278 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)C1 1540892374 KQFTUDHLPRMUBB-MSOLQXFVSA-N 434.537 2.343 30 10 IEEE CC(C)c1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541358433 WRJQQBZUSFSJEH-ZZEZOPTASA-N 429.569 2.239 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1555629225 OZJMCMOKXHEZPJ-HKUYNNGSSA-N 432.569 2.391 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c1 1556123096 BASAYNRCRZDSSS-UHFFFAOYSA-N 443.456 2.414 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C)c1I 1558510452 XTUQFKYIULYLGT-JTQLQIEISA-N 432.262 2.270 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@]2(C(=O)OC)CCCN(Cc3ccccc3)C2)c1 1559956338 TYCUALARYFXXJQ-RUZDIDTESA-N 448.523 2.113 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@H](O)COc2ccc(F)cc2)ccc1Br 1561293206 DWMNBVDJMXGEHL-ZDUSSCGKSA-N 429.267 2.178 30 10 IEEE CCC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCN1CCOC 1561393550 HWMXHHDIHLXFIP-HNNXBMFYSA-N 430.368 2.442 30 10 IEEE Cc1cc2c(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)n[nH]c2cc1C#N 1583605938 JBGBEAFSCYCGQC-UHFFFAOYSA-N 445.526 2.007 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCCn2cnnn2)c1 1587697369 PDLXICSLMWDIJR-UHFFFAOYSA-N 447.547 2.144 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCc1noc(CC)n1 1588093226 GRSOQKOWVGKRSR-UHFFFAOYSA-N 442.321 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NCCC 1588189740 QZHRRBCCILPEIT-UHFFFAOYSA-N 431.338 2.415 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccccc1)N1CCOCC1 1588214067 GUXNVMVCJXWLHI-HSZRJFAPSA-N 443.555 2.215 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1snnc1C 1588646255 IIBDIAHZBQYUQP-QGZVFWFLSA-N 426.502 2.085 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCc1ccco1 1589134764 OOCFWOQEJCIXOP-JOCHJYFZSA-N 426.521 2.098 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCCOC)CC1 1593909167 ZCKBRUNYTCUDKO-UHFFFAOYSA-N 449.987 2.261 30 10 IEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1595330611 YECXTWVTCGPUBA-UHFFFAOYSA-N 432.319 2.018 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cc(C)on1 1595530108 SWPXTCIRLNKAFY-UHFFFAOYSA-N 432.488 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCCC2)C1 1595737755 HODVTMHCZXGVNI-QGZVFWFLSA-N 430.578 2.461 30 10 IEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1607956406 NHFZGFAOUFAJKL-MOPGFXCFSA-N 440.504 2.183 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1611308307 NUYJEIDGDNRPJA-XWSJACJDSA-N 444.559 2.257 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)C1 1611768988 HUNXUSSKMMOYPJ-IBGZPJMESA-N 434.591 2.096 30 10 IEEE CN(c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1617777574 UOSGXVQRKXXYMD-MRXNPFEDSA-N 441.513 2.036 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)C1=O 1618461401 CRUMCLGBZUTBHM-CNXQINBVSA-N 426.496 2.391 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@H]2C)cc1OC 1619210745 HWZFSXUZXAMUFN-KBAYOESNSA-N 427.505 2.364 30 10 IEEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@](C#N)(c2ccccn2)C1 1620484432 XGVJMTGMDSVDQE-MWTRTKDXSA-N 435.484 2.447 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 1636788120 XDMFMYWFOGELBD-IBGZPJMESA-N 425.554 2.192 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1C1CCOCC1 1637009053 SZKYQWPDTWHVRJ-UHFFFAOYSA-N 445.545 2.472 30 10 IEEE COC(=O)[C@@]1(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1S(C)(=O)=O 1637192943 FMJWFGZUDJPITR-SIKLNZKXSA-N 442.493 2.251 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCc4c(C#N)cccc43)CS(=O)(=O)[C@@H]2C1 1639545583 PMJJKGLYKMPFNT-SZVBFZGTSA-N 445.541 2.118 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C[C@H](O)CC3(C#N)CCOCC3)C2)cc1 1644925131 LGAOTWJUZFVASJ-WOJBJXKFSA-N 435.590 2.057 30 10 IEEE C#CCC1(NCC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCCCC1 1648419344 ZDZDNFIMTBXYHG-UHFFFAOYSA-N 437.544 2.248 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2Cc3cccc(C#N)c3C2)sc(C(=O)NC)c1C 1654087006 VXQVFONKPKCZJI-UHFFFAOYSA-N 426.498 2.419 30 10 IEEE Cn1ncc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1Br 1654623892 HZLHQHHQVILGBR-UHFFFAOYSA-N 440.323 2.118 30 10 IEEE Cn1cc([C@@H]2CSCCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 1654917960 BLAMUJWACAXMIQ-OALUTQOASA-N 444.630 2.371 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 1661915497 ALSQNUVXIJHRHS-UHFFFAOYSA-N 428.551 2.449 30 10 IEEE Cc1cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1S(=O)(=O)N(C)C 1674874715 BCOXUXGUQDVHFN-KRWDZBQOSA-N 429.502 2.197 30 10 IEEE C=C(C)CN1CCC(NC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 1684022608 OUXKLZPCTQHZHI-PDGQHHTCSA-N 429.546 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1690004938 LKMPRJQJVZKTPV-UHFFFAOYSA-N 426.542 2.384 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1690110525 PNGSUCLWNXZFBV-UHFFFAOYSA-N 449.647 2.149 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](F)C2)CC1 1690132241 MJCCOQJNNRDWFK-SJORKVTESA-N 430.553 2.163 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1690419697 ZIZCIPOHNXYTNC-UHFFFAOYSA-N 441.580 2.455 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2OC)C1 1690712160 OSAQKUURSVINDN-IBGZPJMESA-N 425.533 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690721098 XLQOZKOQARVEDW-GOSISDBHSA-N 447.561 2.261 30 10 IEEE CC(C)C[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)N(C)C 1692055835 WXDRGEWVPGZHRL-KNKQGSTJSA-N 434.585 2.024 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCc2cccc(C(N)=O)c2)CCOC1 1692585787 MLHWQFNKFSMQCX-SBUREZEXSA-N 440.548 2.399 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1694212831 HTBZKHRIIQTMQK-INIZCTEOSA-N 425.537 2.082 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@H]2C)CC1 1695897163 LBFAWZGEIZXQPT-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1695977802 FVIQWFUYYWHNPO-IBGZPJMESA-N 434.504 2.313 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1698493132 IYNJMQRIWAHIBL-UONOGXRCSA-N 437.426 2.300 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)C(C)C)c1 1705503724 CNJSWQQTTXZBPI-LJQANCHMSA-N 440.548 2.144 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(OC)CCOC2)CC1 1705642189 JZUCAMIEHLYKGT-DEOSSOPVSA-N 439.560 2.035 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 1705651906 KSYZNEMNYMLMAW-OAHLLOKOSA-N 433.965 2.453 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705739208 YJUCTXRWJOKJHX-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccc(C(F)F)n2)CC1 1705780907 KPOYAPWHVYXRNM-GFCCVEGCSA-N 441.508 2.067 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705798879 DQGXZHDXVYBSTM-UHFFFAOYSA-N 429.569 2.208 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705871216 BNEZHIZRUMBRFT-KRWDZBQOSA-N 431.562 2.414 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705905160 MBBHQPZTYPGJRC-UHFFFAOYSA-N 447.543 2.258 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1705911749 PGWSDJLGZVTTRD-GOSISDBHSA-N 433.578 2.219 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(S(C)(=O)=O)CC2)C1 1705920049 PAZWCCKATZWOKL-KRWDZBQOSA-N 447.517 2.212 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CC[C@H](C(F)F)N1CCOCC1 1706076273 ADNYHCWHOUNQMB-SJLPKXTDSA-N 433.507 2.216 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1706601118 CYSQEKMCQFHBKL-XMSQKQJNSA-N 430.553 2.275 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCCC2)CCOC1 1706678101 BSOUFVJXIRYIPF-REWPJTCUSA-N 446.596 2.312 30 10 IEEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1710796971 ORZZNZSXKSPMNO-LJQANCHMSA-N 437.548 2.244 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1711046337 SYJYZGILYBTEGS-KRWDZBQOSA-N 447.561 2.167 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1COCCO1 1722301859 DDMKBEQXDDAJMX-RHSMWYFYSA-N 435.322 2.493 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722360847 KCKQLYFKGDRMHK-GOSISDBHSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722400713 WYXIASKNZMUEKB-FQEVSTJZSA-N 440.569 2.281 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NC1CCCCC1 1722419829 CXCSFIOIHSRMBB-UHFFFAOYSA-N 440.504 2.388 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(O)C2CC2)CC1 1722430869 JUNKQJREOWDTJL-GAJHUEQPSA-N 427.524 2.473 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(OC)c2)CC1 1722442181 ZYBQIBWUFQWNFK-UNMCSNQZSA-N 439.560 2.009 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2c(C)nn(Cc3ccccc3)c2C)CC1 1722444159 GETKXMDZBHRFOR-UHFFFAOYSA-N 445.571 2.462 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1722509135 NOKOXAMTWOYOCX-QYZOEREBSA-N 438.594 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(C)=O)cc2)C1 1722709030 ILMMPZURNFPYIQ-HXUWFJFHSA-N 438.532 2.302 30 10 IEEE CC(C)OCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1723720391 XWYVNSGLGFMTLF-FQEVSTJZSA-N 449.556 2.495 30 10 IEEE Cc1nnc(CCCn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)s1 1726281123 XGJSQSYJZUAILC-SFHVURJKSA-N 439.545 2.421 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1726738272 AURUVGYWNBBLMQ-AOMYARPXSA-N 442.907 2.350 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1727390851 CGNCZHJJNOBVLP-BLRPHQBRSA-N 436.516 2.259 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2c[nH]nc2C)cc1 1730200850 GEWMCFPXFRWFPK-FQEVSTJZSA-N 437.504 2.259 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCCO[C@H](C)C1 1730931843 WTMJLBXTNSIQOE-ZRNYENFQSA-N 434.585 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCS(=O)(=O)Cc1ccccc1 1740651450 FDTQHFKUEOFJOA-UHFFFAOYSA-N 433.537 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSc1ccccc1 1740655461 CEXJBEOXKSMRKH-SFHVURJKSA-N 428.583 2.435 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1occc1C 1740668060 BDPRZVQGNZUYBG-UHFFFAOYSA-N 438.488 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740701590 MNTHEMHWWVSGDG-BVZFJXPGSA-N 446.555 2.334 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740786704 MILZBBMPEXXLJH-IBGZPJMESA-N 444.584 2.134 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccs2)CC1 1740881156 ZACOZKMZMLCMCV-UHFFFAOYSA-N 444.605 2.491 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC 1740914354 CSWFWIKOLZEHEI-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1740927871 YFLXVLFPJJGDPZ-WOJBJXKFSA-N 445.612 2.290 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740937091 SVIPTMWHMSADCJ-PKOBYXMFSA-N 449.577 2.239 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCOCC1 1741970244 DHNWHJMCRGBFFY-YJBOKZPZSA-N 447.923 2.342 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1748302624 FOYRGQHEJIYYPI-SFHVURJKSA-N 438.488 2.048 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764045 GSWUPDZLEUVLHA-GBXCKJPGSA-N 443.592 2.475 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccc1F 1748826665 XIXFSRYTRQFKMR-MRXNPFEDSA-N 431.537 2.078 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CSC 1749103549 BDXRBYGAMUPFEI-QWHCGFSZSA-N 435.413 2.421 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1749225290 DDFVSFMVGIVGDL-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749230197 UXGXOLPTBNBQPO-RBUKOAKNSA-N 427.553 2.270 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749276864 SPWGPUSNBSFJJV-UHFFFAOYSA-N 434.997 2.427 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1749283727 AIAPPOLQBDLBHV-LAUBAEHRSA-N 439.988 2.372 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1749454421 FMZIGEBKDMFFDH-IRXDYDNUSA-N 438.532 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1Nc1cnn(C)c1 1749738804 YBARZYLDWOMKSA-UHFFFAOYSA-N 425.518 2.428 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1750561116 KYRBYQWHWKDMGQ-ZWKOTPCHSA-N 438.488 2.093 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1751277892 QAKSMGGXYPZABL-KXBFYZLASA-N 434.953 2.407 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)OC)c1 1760128070 XGTDSBVHFUKPRZ-SFHVURJKSA-N 435.532 2.231 30 10 IEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1760139222 VLEDJTXCPCASFD-IRXDYDNUSA-N 448.568 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C)c2)CC1 1760271018 IOBNOEQVQBEWBY-UHFFFAOYSA-N 445.571 2.462 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)CC1 1760436553 UQCGYNOFJYJOMJ-UHFFFAOYSA-N 447.565 2.093 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)C1 1760542557 MRVZMJLPEFFCAG-ZWKOTPCHSA-N 438.594 2.168 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCS2(=O)=O)C1 1760545566 WQTWYJMAYARMKR-QZTJIDSGSA-N 431.562 2.397 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1763749769 FJJDNLUKNBZKCE-QGZVFWFLSA-N 447.547 2.143 30 10 IEEE CCO[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)n1 1765770023 CEQLWNAXXRAFQR-CQSZACIVSA-N 438.492 2.022 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1768526129 GGUYIAGWWLBRGA-UHFFFAOYSA-N 434.591 2.040 30 10 IEEE C=CCN(C(=O)c1c(OC)nc(C)c(I)c1C)[C@@H]1CCN(C)C1=O 1849274299 JHRPBSHCJDWEIK-GFCCVEGCSA-N 443.285 2.171 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)c2ccccc2N(C(=O)CC#N)C1=O 1854150912 NFWCKQADBKAHDP-AWEZNQCLSA-N 425.466 2.240 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1856548887 TXOPOUPPDUZQCN-MJGOQNOKSA-N 429.542 2.235 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1F 1856973392 MUMWKPHJGGLWBK-HNNXBMFYSA-N 429.473 2.078 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1c(C)cnn1C 1857020346 GOVVLNCKOUJOPI-INIZCTEOSA-N 428.514 2.187 30 10 IEEE COc1ccc(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)nc2O)c(OC)c1 1859430233 SEHCMMUGESQNEZ-UHFFFAOYSA-N 446.511 2.379 30 10 IEEE C=CCNC(=O)[C@H](CSCc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872597376 QPIJHYCRDLQAGG-SFHVURJKSA-N 435.527 2.477 30 10 IEEE C=CCC1(NC(=O)CCN(CCO)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1902571878 UWOHQUBVNQGOPU-UHFFFAOYSA-N 427.542 2.288 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC(C#N)(N(CCCO)C(=O)OC(C)(C)C)CC1 1918391159 SHIWCPAUHJEKCT-UHFFFAOYSA-N 426.558 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCOC1 1964763748 MILOYCAPNGBCRX-AQNXPRMDSA-N 428.533 2.153 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2023133603 SWNLDTGIBPHAJE-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE C[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2060625544 LJYITWGBTZKWNT-ZDUSSCGKSA-N 432.330 2.217 30 10 IEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128730150 IKIIFHCBZLEXNF-GOSISDBHSA-N 447.385 2.057 30 10 IEEE C=CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(Br)c1=O 2172905577 UXXFRBGIWIKRGF-TZMCWYRMSA-N 443.342 2.222 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2174786888 OHKBVUIJYUZGQW-UXHICEINSA-N 429.498 2.062 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248588970 KMOFEKHYHFJYKD-INIZCTEOSA-N 431.319 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2249539127 GFPLHGKNGKNJOG-VFNWGFHPSA-N 442.557 2.356 30 10 IEEE COc1ccc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255542346 QGKIPDXHNQTYHD-CVEARBPZSA-N 432.326 2.390 30 10 IEEE CCN(CCNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255835319 UVHJDKDGCSYBPT-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CC1(C)OB(c2cc(N3CCC[C@H](CNC(=O)C(F)(F)F)C3)ccc2N)OC1(C)C 2256033787 DORDHKNMWJTRCA-CYBMUJFWSA-N 427.276 2.463 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256624108 JSWORDKLGVCAPL-DRCDNIGYSA-N 436.358 2.489 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256929065 ZXJWKJSFFXTRCV-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267002862 GWOWGDNQPLMQRL-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267089364 CSCLRTUQMUUUPC-HOCLYGCPSA-N 448.373 2.426 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC1CC1 2267177572 PJHUBTBUEIDFCC-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1c(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267191660 GFJCHBQIWWWTRM-CABCVRRESA-N 448.373 2.061 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267493671 LSQKEVVCWFKDRB-SFHVURJKSA-N 438.381 2.313 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2267498787 MRQDOIXGCITFNQ-UHFFFAOYSA-N 448.325 2.275 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 2267529902 RGASLDJDYTZEKP-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267607585 AEEWQTVRYHZCCO-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268631685 BFNFBADLMRRZRU-QAPCUYQASA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)C1 2278809179 JTBGEJPKLKTFKR-HOTGVXAUSA-N 443.363 2.162 30 10 IEEE COC(=O)[C@H](CS(=O)(=O)Nc1cc(C)cc(C#N)c1)NC(=O)OCc1ccccc1 2286021967 RBZGGKZMVNAZCP-SFHVURJKSA-N 431.470 2.076 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)cc1 2296548887 WPEHRIYYUULCFZ-NRFANRHFSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2301386992 FUIWHWBHPXLESB-GJZGRUSLSA-N 439.749 2.426 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315539110 RUDQKGZOPDWSOT-CQSZACIVSA-N 436.362 2.095 30 10 IEEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OCC(N)=O 2324718784 ICVKTELWHDEYKC-UHFFFAOYSA-N 431.441 2.490 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C 2337202551 LETNYOOIKIMRCK-GOSISDBHSA-N 438.381 2.360 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)n1C 2337329501 CUCLWHKEHUGQHH-UUOWRZLLSA-N 436.365 2.032 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)n1C 2337405474 SCAJIUNEZUULAI-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(Nc1ccc(Br)cc1C#N)C(=O)O 2347982723 CMYUCSOPMHNGGE-CXAGYDPISA-N 426.267 2.480 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)C#CC2(S(C)(=O)=O)CCC2)C1 2367839029 JNGKGLCVGOGJPW-RXVVDRJESA-N 433.526 2.342 30 10 IEEE CCOC(=O)c1sc2ncn([C@@H](CC)C(=O)Nc3c(C#N)cnn3C)c(=O)c2c1C 16893738 OIHAOCGLBZYMRE-LBPRGKRZSA-N 428.474 2.138 30 10 IEEE CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(N)c(C#N)cc1C#N 20167572 ICQMYBJYTUKVPZ-UHFFFAOYSA-N 428.474 2.022 30 10 IEEE COC(=O)c1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(C)cc2)n1N 20917652 XFVBWVRERBEDLI-SSDVNMTOSA-N 439.501 2.264 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)CC1 22013841 FQXZXJGSFRSYGK-UHFFFAOYSA-N 426.536 2.395 30 10 IEEE CCCN(C/C(N)=N/O)S(=O)(=O)c1cc(Br)ccc1Br 45093030 DRLBLNCIDAKLGM-UHFFFAOYSA-N 429.134 2.359 30 10 IEEE C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(c2ncccc2C#N)CC1 59367896 KFBRKAUTDZNEEO-LBPRGKRZSA-N 448.346 2.244 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])nc43)c2C#N)C1 96552257 QFKJGXZRQPTBOH-JTQLQIEISA-N 427.442 2.412 30 10 IEEE CC(C)C(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 105946781 YCOQXWJFNVRHDX-UHFFFAOYSA-N 425.489 2.349 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCCO2 170325618 DROCXOQXWDWRMZ-HXUWFJFHSA-N 439.420 2.411 30 10 IEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)c1ccccc1 253578568 YMYOGXGTXDRBHS-DJKKODMXSA-N 442.417 2.229 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 438353723 BJIGHVXEUBCRHQ-ZBFHGGJFSA-N 442.495 2.429 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(c2cccnn2)CC1 460371727 CLMOZQAMKNHXBZ-UHFFFAOYSA-N 438.561 2.352 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 460392108 XDPUJDRYNJYCOO-IKGGRYGDSA-N 443.639 2.298 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460943452 LMCMTMQMTDUTSH-PZJWPPBQSA-N 436.560 2.273 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1-c1ccccc1C 477631094 FKJHUCDYNRHUKM-UHFFFAOYSA-N 448.548 2.030 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1 479046287 NTVIMEPJWTYMMS-QRWLVFNGSA-N 427.526 2.481 30 10 IEEE C[C@@]1(C[C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)NC(=O)NC1=O 480335215 NTEOMRJZUFQSDC-VLIAUNLRSA-N 441.879 2.382 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCc3ccc4ccccc4n3)n2)cc1 492539471 RPCXHBUWLYSTEW-UHFFFAOYSA-N 425.452 2.044 30 10 IEEE COCCc1cc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n(C)n1 494292585 HHBBGWZFHPIEGK-UHFFFAOYSA-N 440.483 2.142 30 10 IEEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Oc1ccccc1 506142941 JIUHJJHGUYAMGF-KRWDZBQOSA-N 428.514 2.042 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 523178771 JCQGCZXTOCZUMU-MRXNPFEDSA-N 432.492 2.485 30 10 IEEE CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1 524938108 NCFHGKIDZLQLFP-MJGOQNOKSA-N 443.573 2.476 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3CO)cc2C1=O 535631609 NUPBLGCDPOLISP-UGKGYDQZSA-N 433.508 2.081 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598601 NIDOXQBABNXUTB-UHFFFAOYSA-N 435.480 2.333 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 554094574 RJYZTHFLTZGWGC-JTQLQIEISA-N 430.408 2.283 30 10 IEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)c1OC 583338219 FSXHSNPEERWSES-UHFFFAOYSA-N 429.498 2.031 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 603797737 GCNVQZXSAQSNJB-KRWDZBQOSA-N 437.546 2.292 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3C)c2=O)cc1 603800095 SZONSSPHKOOUEJ-UHFFFAOYSA-N 447.560 2.036 30 10 IEEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccoc3)c2=O)c1 727417495 GMJOTDOQJVGWDU-UHFFFAOYSA-N 425.485 2.215 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 734291466 QROJNPQOUOIVFW-UHFFFAOYSA-N 435.527 2.016 30 10 IEEE COC(=O)[C@@H](NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(C#N)cc1 739989488 JPKRYKUHOBNYBF-FPOVZHCZSA-N 443.525 2.019 30 10 IEEE CCO[C@@H](C)c1nc(CN(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cs1 742736078 MCWWAILUXLQGLU-ZDUSSCGKSA-N 436.559 2.328 30 10 IEEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1CCN(c2ccccc2C#N)CC1 750046363 ZQTBYFHRBKSCJX-UHFFFAOYSA-N 438.440 2.452 30 10 IEEE C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760550287 GLSGAZKQZYJDRN-OAQYLSRUSA-N 442.882 2.292 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 763766327 GQUAYZLUQDOWNP-HSZRJFAPSA-N 446.467 2.471 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)CCCN1C(=O)OC(C)(C)C 790258995 CXDFVNLARCVYSV-MBSDFSHPSA-N 436.597 2.391 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)Cc1ccccc1CC#N)c1ccc(S(C)(=O)=O)cc1 797582063 CQSOTAVOWOIBPL-JOCHJYFZSA-N 428.510 2.293 30 10 IEEE COC(=O)N1CCC[C@@H]([C@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)C1 805066912 DACIBZFYUSOGOZ-NWDGAFQWSA-N 430.324 2.466 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H](c2cnn(C)c2)C1 849574073 UQTAFSJSDDKARA-GSEOLPGOSA-N 444.580 2.109 30 10 IEEE COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920005009 CRPSLTXDWYEKQA-UHFFFAOYSA-N 441.387 2.169 30 10 IEEE CC1(C)CC(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)CC(C)(C)N1 1084063374 JTFWNUYQOZHUBP-UHFFFAOYSA-N 431.566 2.474 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)c1 1084069331 XUBOKOKSRSRYMR-UHFFFAOYSA-N 427.446 2.330 30 10 IEEE CCO[C@@H]1C[C@](CO)(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(C)C 1138270870 AUPBFCLUAGUZEE-YLJYHZDGSA-N 436.350 2.439 30 10 IEEE C#C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Br)cc1 1141461616 ZROILECXBFGZGK-OAHLLOKOSA-N 433.283 2.084 30 10 IEEE C#Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)c1 1142211070 HCTRGDDIUDKNAL-UNMCSNQZSA-N 426.538 2.232 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 1143009910 DOBQNWJXCWTYCC-OAHLLOKOSA-N 435.546 2.195 30 10 IEEE COc1ccnc(OC)c1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1154598497 GVKPCRTZZCCGFX-UHFFFAOYSA-N 432.502 2.336 30 10 IEEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N(C2CC2)[C@H](C)C#N)c(=O)n(-c2ccccc2)n1C 1165650181 GLZFAKJXUKTVAP-GDBMZVCRSA-N 441.557 2.448 30 10 IEEE Cc1cc2c(N3CC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C3)nccn2n1 1181183459 DJYCHFASPUAKLZ-KRWDZBQOSA-N 441.536 2.320 30 10 IEEE C#CCC1(NCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CCOCC1 1197920833 HTPFMUQMVLOBIV-UHFFFAOYSA-N 433.574 2.270 30 10 IEEE Cn1c(=O)sc2cc(S(=O)(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)ccc21 1211265354 FPYZGBGBTZHYCO-UHFFFAOYSA-N 425.495 2.340 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)C1 1225936119 DBHBZRIPERBUOG-WBMJQRKESA-N 445.451 2.367 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286278959 IKGPGKDJYHUDSP-SGXKBVARSA-N 444.557 2.145 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1286299360 VGSNQUODOVGHKY-VQIMIIECSA-N 427.574 2.069 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(SC)CCN(C)CC1 1286423441 UTSATDYXYVSWHF-QHCPKHFHSA-N 445.633 2.221 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(CC)CC 1286442584 FTCNIKLONDRUEH-QGZVFWFLSA-N 431.610 2.428 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286508556 IGLXUYZRJNOZIC-OKZBNKHCSA-N 447.605 2.452 30 10 IEEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286713232 VYMSSOHWBMXAAM-GOSISDBHSA-N 433.940 2.066 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286716111 GGDUPOBBAKPHFW-RTBURBONSA-N 432.569 2.305 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286781262 WLEPZGAWCWTVOD-IBGZPJMESA-N 436.560 2.229 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(SC)c2)C1 1286812298 NIXJKOBLIUTOAS-KRWDZBQOSA-N 428.562 2.347 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286834667 JVVHRLCCJJNFHF-ZWKOTPCHSA-N 429.594 2.306 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS2)CCO1 1286940751 DEHSAAWCBKDWDS-OALUTQOASA-N 426.546 2.054 30 10 IEEE CN1CCN(C(=O)N2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)CC1 1293001941 CEMJCWLZUNOUQB-UHFFFAOYSA-N 447.539 2.262 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 1293136174 DGKAMJWEKXIZBO-WBVHZDCISA-N 429.322 2.396 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)C[C@H]1O 1299413026 IXTPKPGTDCSISA-UTRMSSBJSA-N 427.480 2.315 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c(OC)c1 1300041880 VZCBCXWAARBPQJ-VGOFRKELSA-N 442.495 2.319 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN(CC)C(=O)OC(C)(C)C 1300590474 CHQIUMQZGHGOTP-UHFFFAOYSA-N 442.564 2.120 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)COCCO1 1300641749 KAJFRBBMPXLASB-HSZRJFAPSA-N 441.507 2.099 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1-n1ccnc1 1300676035 YPJDDEOLWGUNCF-UHFFFAOYSA-N 444.543 2.460 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 1300682096 DXWXNKJDTXQFQQ-WIYYLYMNSA-N 443.523 2.118 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1301289970 WIOUNAXZIONZSA-UHFFFAOYSA-N 449.540 2.306 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1OC 1301379596 PBGIPBSNCASQDN-UYAOXDASSA-N 436.520 2.151 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301491355 HMOWRFBSDAKDOU-DLBZAZTESA-N 428.924 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301492012 UZDNDONIDXGZQR-KRWDZBQOSA-N 426.521 2.351 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C)CC1 1301497060 MXGMWFCCYUJFID-MRXNPFEDSA-N 445.593 2.167 30 10 IEEE C=CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301621072 QCCSUOWDZRMQLZ-NHCUHLMSSA-N 435.594 2.097 30 10 IEEE CCOC(=O)[C@@]1(F)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC12CCC2 1307924004 FOPXBLROKVLQIY-VGSWGCGISA-N 448.564 2.214 30 10 IEEE Cn1cc(CNC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c(-c2ccc(C#N)cc2)n1 1312478911 CXVPHWSVCIHBHA-NRFANRHFSA-N 427.530 2.069 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1312962039 JZLNIOQQRNOVTH-UHFFFAOYSA-N 428.537 2.480 30 10 IEEE CN(C)c1n[nH]c(CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1313228967 IHVGFQFNAYMDLF-KNVOCYPGSA-N 436.307 2.183 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313662778 CUPVQSBPGRXRJO-ICSRJNTNSA-N 438.580 2.106 30 10 IEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CCOCC1 1316409703 HPJWRFZSNNCSKM-UHFFFAOYSA-N 429.546 2.478 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@H]2CCOC2)c1 1316530549 WRFBGJNFJKNTFU-MRXNPFEDSA-N 439.438 2.231 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1344050314 NGIKBRCKBMUBSS-RTBURBONSA-N 428.558 2.368 30 10 IEEE Cc1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)ncc1C#N 1352669683 HIEPEFDXSBWFGT-LSCVHKIXSA-N 436.449 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1358899472 NXAOJYXIEQBLIT-HNNXBMFYSA-N 439.545 2.248 30 10 IEEE C#CCCCn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1358935895 WTTFSZDDZAKQDA-XXBNENTESA-N 432.565 2.366 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@]2(CCOC2)O1 1359026235 PBOLSHXLJHZGNA-WIYYLYMNSA-N 431.562 2.058 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359090002 SPFWNENEOHSNDG-JYJNAYRXSA-N 443.470 2.263 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359126587 SXNGJWLDKILZEV-UHFFFAOYSA-N 439.564 2.131 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)NC(C)(C)C)cc1 1359306952 WHUPOMVFKWESKK-UHFFFAOYSA-N 442.564 2.380 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359309761 DDCITYJJFFTUFF-MRXNPFEDSA-N 442.545 2.218 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1359334439 FRRWVSQMLSOUPF-OAHLLOKOSA-N 436.500 2.379 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1359472210 HTKZMNNOKDIREK-AWEZNQCLSA-N 436.520 2.352 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)C1 1360787829 DQKBBRJFUGBMCO-JOCHJYFZSA-N 439.495 2.308 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2=O)cc1Cl 1443474935 BOUMIVYFIUSDOC-APWZRJJASA-N 430.936 2.324 30 10 IEEE N#Cc1ccccc1N1CCC(NS(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 1464200237 GAJCWGCOIWIEEK-UHFFFAOYSA-N 442.541 2.373 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 1465436735 CNGRZPLVFGCNEV-KRWDZBQOSA-N 432.550 2.158 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1472249151 BNNCCAHZJOFACV-MAUKXSAKSA-N 426.517 2.073 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)cn1C 1478718105 AEJCBTAAPPERCK-IBGZPJMESA-N 444.561 2.180 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccc(Br)cc1 1478897473 ZQLGYGHOJCYEND-SFHVURJKSA-N 433.350 2.073 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C1)C2 1479157550 DDMDULFOWKIMCK-JFIYKMOQSA-N 427.448 2.177 30 10 IEEE CCOCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1502996599 DYGMSNPQTADPLC-VQIMIIECSA-N 431.562 2.361 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1504704099 GOLNJZUOGDIXEW-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC(=O)N2CCOCC2)cc1 1505315675 PXSUGPPAWFZCNY-KRWDZBQOSA-N 430.459 2.157 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(=O)(=O)CC 1507534923 VSRODDDTZKSIJP-MRXNPFEDSA-N 442.545 2.387 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCOc1cccc(C(F)(F)F)n1 1507649119 YMAQSIPEETVKMF-UHFFFAOYSA-N 429.406 2.244 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507669893 UZCSJKLSLRDWFH-UXHICEINSA-N 445.633 2.154 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507748174 NLUJJHVLCPQVOZ-DOTOQJQBSA-N 430.530 2.280 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cccs2)CC1 1507752495 ZGMKSGOPJXYQMI-UHFFFAOYSA-N 425.587 2.485 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507844247 GCZCPRMDXKCCMO-FQEVSTJZSA-N 440.548 2.470 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)CC1)c1ccccc1 1507850060 ALSAUQRJBFIDBS-UHFFFAOYSA-N 438.576 2.272 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CC1 1508039436 ODOSXCAXTSLBMH-VPTFNQTCSA-N 432.546 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1508131325 LNSYEUYPAPOYNU-MRXNPFEDSA-N 441.598 2.450 30 10 IEEE Cn1cc(C#N)c(NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)n1 1515108141 AZAPXVHPULJYJC-UHFFFAOYSA-N 435.513 2.204 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1515681702 YFLWETGFRSIHDA-CVDCTZTESA-N 438.532 2.212 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(n1)CCCC2 1519329676 PTJKNRGXTMBLTP-LPHOPBHVSA-N 426.521 2.053 30 10 IEEE CSC[C@@H]1CCCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1520247500 WNGSHEDOUYJYKY-BVFCJKAASA-N 446.577 2.378 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1520702223 PXURMGJIGKLWSQ-MRXNPFEDSA-N 440.323 2.253 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)c1 1527476932 WHOQOKUQSQSJIV-MRXNPFEDSA-N 430.555 2.120 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2ccc(Br)c(C#N)n2)C1=O 1529527475 RMAPJLXYPNGYPI-LLVKDONJSA-N 437.294 2.235 30 10 IEEE CC(=O)NCc1cccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 1534140812 PFBDPWYEIKODPC-HIXSDJFHSA-N 428.514 2.388 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1538974578 UEJDJJDVQCBROC-NWDGAFQWSA-N 429.468 2.006 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)CC)c1 1539044219 ZOEXMOXYQZLNOH-JPYJTQIMSA-N 425.533 2.389 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 1539145014 AOISGQXKDPNRNJ-UHFFFAOYSA-N 444.967 2.042 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539212462 PALSMRRXHRDDMA-FXAWDEMLSA-N 430.574 2.417 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1539370427 CCGCARRCCHCRAP-HOTGVXAUSA-N 425.505 2.031 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539526866 VUMMCIZCBSBPFY-QFIPXVFZSA-N 427.574 2.494 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCCC)CC1 1539847978 JTLDQBGJAPAYAZ-QGZVFWFLSA-N 448.568 2.269 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1539977863 ULNWMJWAZLAILI-UHFFFAOYSA-N 439.564 2.440 30 10 IEEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)CC)C1CC1 1540116282 QGANAKMMAWXAEP-IAGOWNOFSA-N 425.599 2.291 30 10 IEEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1541743139 IPWCDQDXJVLGOP-GOSISDBHSA-N 438.532 2.401 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 1542648351 ZIFWXILFRDEYQE-HXUWFJFHSA-N 442.560 2.278 30 10 IEEE Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543174691 CSZROSJBYJELHE-VXPUYCOJSA-N 437.460 2.190 30 10 IEEE Cc1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1N1C(=O)CCC1=O 1543663611 RNSYHBCSTLPCAF-UHFFFAOYSA-N 429.429 2.337 30 10 IEEE Cn1cc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1554336494 CIIATBCMPVCNSJ-IBGZPJMESA-N 425.468 2.091 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)C1 1555700022 MTWQVPUYSHQORX-QGZVFWFLSA-N 425.518 2.267 30 10 IEEE COCCOCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1555717111 BHZIODBBPRWEAH-SFHVURJKSA-N 438.488 2.382 30 10 IEEE C=C(C)Cn1c(SCC(=O)NCCS(=O)(=O)C(F)(F)F)nnc1-c1ccco1 1557453706 POGMFRMOFWSIQW-UHFFFAOYSA-N 438.453 2.257 30 10 IEEE COC(=O)c1cc(C2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)no1 1564531232 PKBVXPRJNCZDJU-ZBFHGGJFSA-N 447.492 2.109 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccnc(S(N)(=O)=O)c3)c2)c1 1587856495 ZRMQXYOGDBGIAT-UHFFFAOYSA-N 435.461 2.168 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1588387029 RDOBLFZNHWYZPS-ZDUSSCGKSA-N 442.463 2.429 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1594819496 FOKWDGNWKXXWFU-SFHVURJKSA-N 425.599 2.074 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1595649290 OASVPAUUNMOJDZ-GOSISDBHSA-N 426.565 2.236 30 10 IEEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1618495012 DEJJBROBBJWWPK-UHFFFAOYSA-N 445.453 2.068 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2cc(C#N)ccc2F)cc1 1628775629 HCGKGGYUEGZXJB-RXVVDRJESA-N 445.516 2.261 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cccc4c3NC(=O)CO4)c(C#N)c2N)cc1 1630467239 LUUYHIRQWLGUIR-UHFFFAOYSA-N 430.468 2.328 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2N2CCCC2)c1 1630751830 GNKPJSWALSBICU-DHIUTWEWSA-N 437.565 2.480 30 10 IEEE CCOC(=O)[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H](O)c1ccncc1 1631259604 ZFMHGDHOIKPHAR-LEWJYISDSA-N 440.475 2.090 30 10 IEEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1NCC)C(=O)OC(C)(C)C 1632345672 MYRNRFJYYKZQNN-UHFFFAOYSA-N 438.550 2.178 30 10 IEEE Cc1n[nH]cc1CCCNC(=O)CCNC(=O)Cc1ccc(Br)cc1C#N 1633595618 DSKFOLRVIOTEKK-UHFFFAOYSA-N 432.322 2.150 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697060 GEQYPBOAUQXPEY-ZJBJCVSYSA-N 445.541 2.265 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4c(C(=O)OC)ccc(OC)c4C3)cc2C1=O 1637235839 VZQBXALZKAXFBJ-UHFFFAOYSA-N 434.448 2.462 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)cc1 1641713693 FUKQLTNOAPKGJM-LJQANCHMSA-N 429.542 2.164 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1641797237 TWUBBCYZXWZSMB-PBUVFVDJSA-N 431.374 2.359 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1643808989 ZWIQPVAQFPADNW-JOCHJYFZSA-N 432.496 2.372 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)C1 1644637795 AAFHFIAUCSWINS-XLIONFOSSA-N 445.361 2.191 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C(=O)OC 1644819265 FSPJEUMJTIFHON-OAHLLOKOSA-N 428.489 2.412 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)s1 1644821679 QJIJZTGJPYBQOZ-AAEUAGOBSA-N 426.482 2.323 30 10 IEEE C#CCN(C(=O)c1cn(CCOC)c(C)cc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649385271 PFBRXHMSVOMLRA-UHFFFAOYSA-N 431.533 2.278 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C#N)CC1 1649570533 SZRNJYAZZDRANH-INIZCTEOSA-N 425.493 2.314 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(C)Cc3cc(C#N)cs3)CC2)cc1 1656279942 PVFJBWOFWHRVLD-QGZVFWFLSA-N 446.598 2.282 30 10 IEEE C=CCN(C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1657517571 OASDYXRRDDHPCU-IBGZPJMESA-N 435.546 2.145 30 10 IEEE C#Cc1cccc(N(C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 1657712376 VJSDMMATEDBUMO-UHFFFAOYSA-N 429.498 2.366 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)n1 1663734554 YYRKMQAQOWRIMN-UHFFFAOYSA-N 431.436 2.381 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2cc(F)ccc2Oc2cc(F)cc(F)c2)CC1 1665528607 HKOSQVYWTWVWKK-UHFFFAOYSA-N 439.459 2.481 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)cc1 1673398956 VWFVHOPLEPCKRR-LJQANCHMSA-N 428.514 2.198 30 10 IEEE COc1cc(CNC(=O)N2CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C2)ccc1C#N 1680913481 SFNXEOACFGMANA-SFHVURJKSA-N 432.521 2.470 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H](c4ccccc4)[C@](F)(CO)C3)C2=O)cc1 1682022363 YXBQMRXJAMTVSC-ZFGGDYGUSA-N 436.487 2.169 30 10 IEEE CS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1683990069 BGXCABKZTICYLO-UHFFFAOYSA-N 426.542 2.032 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1689986170 KFRSVDSHKUPRHY-FXAWDEMLSA-N 431.587 2.253 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1689986847 XZFCASLIONDXNV-IAGOWNOFSA-N 430.505 2.056 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1690190518 XLUVJEOUEPWYQP-LVCYWYKZSA-N 436.626 2.145 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690565517 LQOOSAZGOBIEBL-UXHICEINSA-N 445.589 2.256 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOCC1(C)C 1690615991 ZQGRFESEEKQPGF-UHFFFAOYSA-N 443.548 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCOC2)CC1 1691220464 LDALTELBDAFFIA-WMZOPIPTSA-N 446.552 2.158 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCO1 1692543248 SVOURSFYYFGSAX-VQTJNVASSA-N 438.532 2.435 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCCC2)CCOC1 1692596999 XZAXYSVALIFMDE-XMSQKQJNSA-N 433.553 2.133 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1 1693551413 FLDQUQJYTHYUNP-NYHFZMIOSA-N 436.541 2.453 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705516355 ZDVXEGCYQSIIIF-HXUWFJFHSA-N 434.544 2.385 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1705586562 NXOQIDZJWVPDOB-RUZDIDTESA-N 449.624 2.344 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1/N=CC=CC1=O 1705608964 KZHSYPNLTMRHQH-LNVKXUELSA-N 441.495 2.479 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705610487 QHQHZMCQMHUZJW-MOPGFXCFSA-N 428.562 2.004 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](OC)C(C)C)CC1 1705636567 PFILETABDUJLFF-NRFANRHFSA-N 427.549 2.389 30 10 IEEE C#CCSCCn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1705664916 FSDRHKJVHAYUTJ-QFIPXVFZSA-N 444.605 2.414 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705694587 CWUGAMGCQPZAPN-GGPKGHCWSA-N 429.521 2.169 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1705699946 NJYCQSSWLCYWSN-NUJGCVRESA-N 435.550 2.094 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1705704195 RFUDTKGCCIERNL-QUCCMNQESA-N 443.596 2.207 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCN(CC)CC1 1705839404 ZEJLTEBKXGJVPR-SFHVURJKSA-N 426.565 2.365 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1705905699 DHAHXAFEKNWMEB-UHFFFAOYSA-N 442.539 2.003 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)CCOC 1705931124 GQVIGMDPVNRTMO-UHFFFAOYSA-N 449.396 2.453 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1707347988 JLXVLHXVPYRRLS-BSBNDGSWSA-N 440.504 2.236 30 10 IEEE COC1(C(F)(F)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1711586338 YENYCVBXEOXDLG-HNNXBMFYSA-N 440.495 2.083 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1F 1711815308 HQPKLEWTCCZHSX-GDBMZVCRSA-N 435.525 2.309 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1)OC 1712151082 DZBKJQPCIUOAHC-PXNSSMCTSA-N 441.532 2.252 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712389812 CUSNYGHBDPOCST-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1712417619 DZXHADDCQODHQM-CBQGHPETSA-N 438.576 2.382 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2ccco2)CCO1 1712883874 BHVUEVULMSWYIH-CQSZACIVSA-N 426.864 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1722282104 LJUMRYSQHGJCOI-MRXNPFEDSA-N 444.499 2.444 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc2c[nH]nc2c1)[C@H]1CCS(=O)(=O)C1 1722358240 FGRQPAVFBDZXCY-SFHVURJKSA-N 440.573 2.321 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1722428916 LOEJFEFFYJFGOO-NRFANRHFSA-N 439.560 2.203 30 10 IEEE C#CCSCCn1c(N2CCC(Cn3cccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722464270 ZWFMDVICMZCJBV-JOCHJYFZSA-N 444.605 2.410 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722579460 DXVYKHOBOQDYQI-QGZVFWFLSA-N 436.969 2.021 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC)CC1 1722623956 OTJLGALVVLIFEA-UHFFFAOYSA-N 430.465 2.334 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Cl)cn1 1722679788 LTOHEAQPTSWAJZ-UHFFFAOYSA-N 433.900 2.195 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)COCCO1 1727011146 XRURDVGQVFNAOZ-VGOFRKELSA-N 425.537 2.190 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@](C)(C#N)C1 1727483499 WWRIZEJMPJPEKN-OPAMFIHVSA-N 445.568 2.485 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1728800922 BJEVYQIVBVECJB-PKTZIBPZSA-N 438.532 2.207 30 10 IEEE COc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCC(F)F 1730297008 AFLIEUFOEYMZMF-GOSISDBHSA-N 446.502 2.336 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740577167 UTBSNIBRRAZTME-HSZRJFAPSA-N 425.508 2.441 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)CCCO1 1740643084 FRMXNEXSCCIEBB-SANMLTNESA-N 446.599 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ncn(C)n1 1740649347 RWEHUAXVFMDYFI-GOSISDBHSA-N 433.516 2.457 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1COCCO1 1740678205 FGFDJYLEJMSYDF-FQEVSTJZSA-N 441.532 2.039 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC=CCO2)CC1 1740693220 XIYPWYAHLXFPLB-HXUWFJFHSA-N 437.544 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2nc(C)c(C)s2)CC1 1740707023 LVJFTPAQGMBIKG-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C)CC1 1740817896 XSCDSIHLUUKPBA-IRXDYDNUSA-N 433.944 2.180 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740887567 AQEDLZNIVINTRZ-QHCPKHFHSA-N 439.516 2.317 30 10 IEEE C=CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O)C1CC1 1740914015 YNHKCJMZCPVNLM-UHFFFAOYSA-N 431.562 2.356 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740952040 SRQZUIQIJDQHOX-INIZCTEOSA-N 431.610 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740985367 GFNRYGJDHGWOSF-SFHVURJKSA-N 435.598 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CC1 1740986609 BZPBJUDEUVBLDZ-UHFFFAOYSA-N 428.356 2.483 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1741481162 HASDWKKKERKBEK-AWEZNQCLSA-N 428.484 2.365 30 10 IEEE C[C@H](Cn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1741863603 BSRDDPJJWUVQLO-IERDGZPVSA-N 432.475 2.159 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1741993094 FTBNUNSVBNYHKT-JKSUJKDBSA-N 448.449 2.499 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCN1CCOCC1 1743361401 FBCDVOXHWNEXMU-IBGZPJMESA-N 440.548 2.066 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1743893341 NTNNCCHQAAKKHH-QRQCRPRQSA-N 441.536 2.441 30 10 IEEE CN(CC1CCCC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747833974 SOBVWTUIIPSKLW-QURGRASLSA-N 435.532 2.417 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1748303596 JZQHAXBQYTYACW-GCJKJVERSA-N 425.489 2.012 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(CC)CC 1748922688 IJCFNJPGHOJKHW-UHFFFAOYSA-N 449.559 2.300 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCOCCS(C)(=O)=O 1748987952 CQGUCNOTVALPHO-UHFFFAOYSA-N 447.561 2.145 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749663564 JQKKLVTVPVXVFD-UHFFFAOYSA-N 437.523 2.047 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2COCCO2)C1 1749694547 UFJFLXDXFVNLBG-VQTJNVASSA-N 441.532 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC(C)C)C1 1749713550 USKWSAKASOJDGB-DBXWQHBBSA-N 440.610 2.149 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cscc2C(F)(F)F)CCO1 1750388496 PKZNXTXMXCRMBC-ZDUSSCGKSA-N 440.451 2.258 30 10 IEEE Cc1cnn([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)c1 1751721939 DBUZLYISIVIXDX-IBGZPJMESA-N 439.545 2.208 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1760290475 GVTBYEUSLFLIIS-DHIUTWEWSA-N 441.532 2.383 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760431077 DETRYTLIULNIPV-SFTDATJTSA-N 443.640 2.475 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1760496047 GAWGZHYCONTDKK-UHFFFAOYSA-N 426.540 2.351 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760530183 LIGANIZCQQCYOJ-BQFCYCMXSA-N 439.507 2.176 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1 1760532846 HAELYISNPUQTLA-ZWKOTPCHSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCCCC2)C1 1760534565 BJCUIRORXASRHB-DLBZAZTESA-N 441.598 2.019 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760562828 XEKCLMFOMIEPBL-FQEVSTJZSA-N 427.622 2.476 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(COC)c1 1762300921 ASCFWCNZGGWEGB-IBGZPJMESA-N 426.521 2.120 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCO1 1765306698 DCNYQPLMUGNIRR-SFHVURJKSA-N 426.521 2.259 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1765470394 AGAYSCNHKCGZLP-VQIMIIECSA-N 426.521 2.235 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1770054687 ZZNDNGGFEKZLRV-QFBILLFUSA-N 427.505 2.104 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cc1 1770282454 STHJXZVHXPZPCE-RTWAWAEBSA-N 431.468 2.113 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](COC)C1 1772659977 NPHKZTMIFTZMGC-HNNXBMFYSA-N 439.969 2.457 30 10 IEEE COc1ccc2c(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)cc(OC)nc2n1 1848914564 URSYVGYMDRJVMU-UHFFFAOYSA-N 437.500 2.261 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCN(C)C1=O 1849512866 KAQFNBMNCPRFOA-VQTJNVASSA-N 447.601 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OCc2ccc(F)c(C#N)c2)CC1 1852102064 PDJRGZTYYUINNA-SJORKVTESA-N 431.464 2.456 30 10 IEEE Cc1cc(C)n(C[C@H](C)C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)n1 1853091956 KTMKXPWPTJGKOY-ZDUSSCGKSA-N 436.969 2.483 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cc(Cl)ccn2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854525153 CDWIGECSHMUECS-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)C(C)(C)C2=O)cc1C#N 1854773650 GYJXSHFGRJRQHJ-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cccc(Cl)n2)CC1 1855857091 IQVCFGBTZQCANI-UHFFFAOYSA-N 444.900 2.389 30 10 IEEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1866337158 OLXVIQNJVPRVGH-ZDUSSCGKSA-N 427.910 2.344 30 10 IEEE COc1cc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc(OC)c1O 1874377889 STLMYPOGLUAWLJ-AUEPDCJTSA-N 445.476 2.190 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 1993667099 LTMAGHVXUFTOJS-HNNXBMFYSA-N 427.542 2.192 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CC1 2060628420 XCPRXAFSAXZTFD-HZPDHXFCSA-N 435.374 2.090 30 10 IEEE CN(C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2067794108 ZXAZQWQKEBDMQE-OAHLLOKOSA-N 434.342 2.082 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(C)(C)O 2131459240 JXUZBMBMSGZAMG-QGZVFWFLSA-N 448.369 2.266 30 10 IEEE N#CCc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 2174786079 GKDDCGYXDBBKKD-IBGZPJMESA-N 429.498 2.069 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247920905 GBGROTWMLOMNAU-BETUJISGSA-N 437.371 2.475 30 10 IEEE COC[C@@H](COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2248587240 NMAMKRAARVMCBO-AWEZNQCLSA-N 426.294 2.438 30 10 IEEE C[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2255539248 WVONJBDPMLVPNM-WCQYABFASA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632093 IIVVBKIXIJBLKQ-CQSZACIVSA-N 434.346 2.084 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255659703 WBNWEMPVDVQTCD-GOEBONIOSA-N 431.342 2.332 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255830564 IAAQMJMZFBXODZ-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256617798 LVGRSXMSTPEWDT-KRWDZBQOSA-N 435.374 2.328 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2256635083 GDXJQYHQOGCDFD-UHFFFAOYSA-N 432.330 2.465 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2256636205 NIRRFXKLGPVDRZ-CQSZACIVSA-N 436.362 2.380 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267178731 GPMMKDZOVIUSHN-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CCn1cc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267182468 GYGMFAWTCZHEDY-UHFFFAOYSA-N 436.365 2.160 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267197014 UWFNZYLEHMVSEL-HOCLYGCPSA-N 448.373 2.143 30 10 IEEE CN(CCCCN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267263415 FQDBUMAQUZIHMV-UHFFFAOYSA-N 448.373 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CCC[C@H]12 2267518338 DKCIKZIMSYXKPG-OYHNWAKOSA-N 446.357 2.371 30 10 IEEE CC[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267518680 GJIJENZHCCKPLB-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267524470 QLTKNNWXWVYCGM-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)o2)OC1(C)C 2267557349 NEAPDVITVYMYPH-ICSRJNTNSA-N 438.333 2.304 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267590692 ROCGSIFUFFESDZ-GXTWGEPZSA-N 441.259 2.052 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267594313 QPKMGRQEKAEUAQ-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267877546 VRZBXFFWYOWHAI-UHFFFAOYSA-N 446.357 2.105 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2296228070 VQPHUCCDGCYPGZ-FGTMMUONSA-N 439.350 2.385 30 10 IEEE COc1cc(C=C2NC(=O)C(=NS(=O)(=O)c3ccc(NC(C)=O)cc3)S2)ccc1O 2297592232 FIGVYSWDFPXCSS-UHFFFAOYSA-N 447.494 2.308 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2300297945 DMKMBTLIPMQABQ-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2ccc(OCC)cc2)cc1 2330276162 ALLDHQCVPSLVRI-UHFFFAOYSA-N 442.493 2.463 30 10 IEEE NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330657568 ACKPRPSYTYDVFT-UHFFFAOYSA-N 440.441 2.084 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(O)cc1 2330731560 QYQNIIIHDFIPCT-UHFFFAOYSA-N 442.476 2.372 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCN(Cc2ccccc2)C1 2337191361 YAAMCBKREQBLBR-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 16203650 XPSIELKECZASMB-UHFFFAOYSA-N 446.510 2.335 30 10 IEEE CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CC)c3)n2)s1 20215363 HRZSIKBYTBXQEJ-PJQLUOCWSA-N 438.568 2.161 30 10 IEEE CCOC(=O)N1CCC(NC(=O)COC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 27928451 NNDWQEZZHOTSEQ-UHFFFAOYSA-N 428.445 2.144 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)c(OC)c1 102752687 XJIBWJJCYQBYAE-LCPUNJGISA-N 442.468 2.051 30 10 IEEE COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)cs2)cc1 409580718 OFUQPVLQHSRPGL-OAHLLOKOSA-N 437.529 2.187 30 10 IEEE CC(C)c1nnc2n1CCN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)[C@@H]2C 439269032 DNKVXTQGPSLDCW-IAGOWNOFSA-N 427.578 2.249 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 446606933 YNEZERGAFYKQGD-OAHLLOKOSA-N 434.468 2.165 30 10 IEEE CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)cn1C 477773766 IOTXDDJLLFVKML-UHFFFAOYSA-N 445.545 2.382 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CC[S@@](=O)C(CC)(CC)C2)c(C#N)cn1CCOC 481449414 HMWWLTADGKYQAJ-SSEXGKCCSA-N 438.550 2.338 30 10 IEEE N#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1 505923254 RRYHCGUVCLIQSY-NRFANRHFSA-N 442.516 2.369 30 10 IEEE COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1 507802189 SHJGQEXGYWUZKA-UHFFFAOYSA-N 436.512 2.473 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C3CC3)c2=O)cc1C 516830078 CRRMVFHLFKZZEO-UHFFFAOYSA-N 446.532 2.407 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cc1F 523652464 YOTBNRCRKNTFEO-INIZCTEOSA-N 442.512 2.109 30 10 IEEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 536115710 DKANPAFZALMTBC-UHFFFAOYSA-N 441.509 2.499 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 554211208 FGNVKYQJRWOTNE-LSDHHAIUSA-N 425.580 2.473 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCCO2)CC1 574766481 RCMMIYUNGDLTPE-PZJWPPBQSA-N 438.532 2.133 30 10 IEEE CCN(CCC#N)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 603846983 UUQLQQAKXBTADV-UHFFFAOYSA-N 425.455 2.024 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnn(-c4ccncc4)c3)CC2)cc1 608900350 KMFQSLMYRGJWIY-UHFFFAOYSA-N 436.497 2.178 30 10 IEEE COCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1OC 611359014 BRNISKMXLDRKAY-AWEZNQCLSA-N 443.504 2.359 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCN)c1 703979237 ZQZLKLCGZSGKFO-UHFFFAOYSA-N 425.510 2.061 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOc1ccc(C#N)cc1 742103748 QHXQDLAFHGYUSK-IBGZPJMESA-N 440.525 2.207 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1C#N 746785108 MVKXCEMIRWOMDK-UHFFFAOYSA-N 427.549 2.089 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 766979701 INTRQVLCYLFKGZ-FQEVSTJZSA-N 430.482 2.309 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(N2C(=O)N[C@]3(CCSC3)C2=O)c1 771923269 XBQGUXMGKOORFX-XSLGSPGOSA-N 436.559 2.212 30 10 IEEE C=CCC[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 772781972 OIDPBCVJUUOWLX-MRXNPFEDSA-N 426.510 2.337 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC[C@@H]2CCOC2)C1=O 784128150 MYNXRVBZRPZDCB-QAPCUYQASA-N 436.553 2.252 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)OCC(=O)NC2(C#N)CCC2)[C@H]2CCCO[C@@H]2C1(C)C 784244040 KYDNBMMUVWFWRR-DDVAMESESA-N 435.521 2.191 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 795043090 OHQJXQJXMFOPKU-FFZOFVMBSA-N 428.533 2.414 30 10 IEEE CCN(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)ccn1 856541001 AIDOCVUKLKYXST-QGZVFWFLSA-N 445.501 2.155 30 10 IEEE COc1ccc2nc(NC(=O)CSc3n[nH]c(NN=Cc4cnn(C)c4)n3)sc2c1 1084326921 JJWCAQOLTRKVQU-UHFFFAOYSA-N 443.518 2.333 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)C1 1116538917 FOHMLQBDCVZVMI-IAGOWNOFSA-N 444.557 2.394 30 10 IEEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 1124607360 MEVZQQXXFRUISA-KRWDZBQOSA-N 438.436 2.257 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)C1=O 1134408392 BLARPYOPWXKNEB-UHFFFAOYSA-N 439.443 2.040 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1156392269 HVZWZXDHLSVIBL-IRXDYDNUSA-N 429.583 2.263 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 1171834697 POKGGBAGOGITHG-INIZCTEOSA-N 437.443 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOC(C)(C)C 1286400345 CYXPPNCTFSXJOP-UHFFFAOYSA-N 442.589 2.435 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccc(F)cc1 1286401470 QXXBWJVPZWWLTK-DNQXCXABSA-N 440.519 2.438 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNS(C)(=O)=O)CC1 1286664184 ROWDFVAESMAFJY-UHFFFAOYSA-N 433.578 2.426 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CCOC)C1 1286816002 DPCKBUJJBIMDHS-KRWDZBQOSA-N 429.546 2.280 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@H](C)C#N)C1 1286858984 GPGXBMZXSZSWJB-MJGOQNOKSA-N 434.548 2.371 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286864044 JFCNVBWNGWNCML-SFHVURJKSA-N 430.459 2.300 30 10 IEEE CC(C)Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287384837 IOTGCLRDLSUTFH-HNENSFHCSA-N 430.553 2.397 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(Cl)cc1 1288825594 IAGQCJWSXJTZLM-SCLBCKFNSA-N 440.932 2.226 30 10 IEEE Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290752000 HDGYYYWPKZGPTF-HOXFGADNSA-N 428.518 2.141 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1297350266 PNYJGAINIGEEAV-UHFFFAOYSA-N 428.533 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1300309356 GRJCEOCNWZWNNW-ROUUACIJSA-N 434.585 2.385 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)noc1C 1300465581 PBTNWHKEVCIQKY-KRWDZBQOSA-N 430.509 2.309 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCN(CC)CC2)CC1 1301059241 UNXIIFZFHXGLMJ-UHFFFAOYSA-N 429.613 2.088 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1301362581 GEBNZWDVHMBGJF-SJLPKXTDSA-N 430.578 2.204 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301491670 NHAUCBVCRAJYLG-MRXNPFEDSA-N 429.496 2.161 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1301543290 XNHNZHBACYUDNH-SFHVURJKSA-N 431.924 2.239 30 10 IEEE Cc1nccnc1CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1304710817 AVENFCNFUDXEME-OAHLLOKOSA-N 425.443 2.217 30 10 IEEE C#CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1313002500 OSNQREFKZMYJIO-GDLZYMKVSA-N 439.500 2.342 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 1313163017 LGTJCTWBSMXOGT-UHFFFAOYSA-N 445.539 2.335 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2COc3ccccc3O2)CCOC1 1314079366 ACKCCOLVPHQMGX-PNLZDCPESA-N 427.505 2.366 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1314164447 QKKWGRRIDVTAND-RYQLBKOJSA-N 429.521 2.488 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCC1 1314896122 VYZGLMKYZDHKAZ-OAHLLOKOSA-N 449.353 2.470 30 10 IEEE COCCN(C)CCCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316064666 AHSPBUVNUBVZKX-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCOC2)C1 1340092162 ZEEZIPJVDHPZPK-QUCCMNQESA-N 439.564 2.270 30 10 IEEE N#Cc1cccc(Cc2nnc(CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1 1349934339 FMTRZFUYIOPITI-UHFFFAOYSA-N 438.509 2.338 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H](F)COC)c1 1358903393 VBIAKYIELRJGKX-IBGZPJMESA-N 436.491 2.305 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1358910642 WRQTVQUQUMWBOA-IBGZPJMESA-N 447.543 2.193 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)nc1 1358991650 JZLMRTIYHXQBGX-UHFFFAOYSA-N 447.568 2.453 30 10 IEEE C#CCSCCn1c(N2CCN(c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1359062003 SSEMQKBOBNURDB-JOCHJYFZSA-N 442.589 2.018 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359186295 AKIHOFPMHAVFRP-INIZCTEOSA-N 437.552 2.418 30 10 IEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359219964 JZOXRNRLHJEYRS-UHFFFAOYSA-N 436.516 2.488 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1)C1CC1 1359252720 DKDDXVHPBGIZDT-UHFFFAOYSA-N 430.597 2.445 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359338591 AVSRWOFBIQCLEV-IBGZPJMESA-N 426.546 2.077 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359340746 YCRRIZLGRRSNRD-UHFFFAOYSA-N 443.621 2.327 30 10 IEEE Cn1cc(-c2nsc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cn1 1439952469 WGGZEHSEVCVQAJ-NSHDSACASA-N 427.877 2.455 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC=C(c2cnn(C)c2)C1 1453164205 QSLPXDSRAFQYAO-IBGZPJMESA-N 441.557 2.333 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccnc3c(C(=O)OCC)cnn23)C1=O 1467660945 FSLATFGCPCZJCQ-OAQYLSRUSA-N 444.492 2.222 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1469890368 YAWMTDXPWCHJNU-UHFFFAOYSA-N 426.477 2.053 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CC2)cc1 1470630416 BGSDELSHLDJDQR-NHCUHLMSSA-N 438.528 2.189 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(Br)cc1 1470663728 QXCFEBSTGQXNSU-QZTJIDSGSA-N 433.350 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)NOc2cccc(C#N)c2)(C(=O)OC(C)(C)C)C1 1471086107 SUHCZESECTXXBO-QFIPXVFZSA-N 447.488 2.316 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1494914509 SREBDIFOTDYVEY-SMASLZHESA-N 426.521 2.114 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1496476059 KXCLSBHASYILTO-PMACEKPBSA-N 434.500 2.458 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1)CC(F)(F)F 1503607199 GJLSPYVGCNKEIB-UHFFFAOYSA-N 449.481 2.403 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1503860603 GJXRNMULCMTAOU-IBGZPJMESA-N 436.516 2.219 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1504386946 FOTWUAJDUBCRQT-SFHVURJKSA-N 438.532 2.475 30 10 IEEE COCCOc1ncccc1Cn1c(CC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505015748 XEQROPMPEDGCHN-FQEVSTJZSA-N 439.564 2.122 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCOCC(F)(F)C(F)F)cc1 1505318183 ZPAFZBBKQSZBJD-UHFFFAOYSA-N 445.442 2.302 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507571490 CQMKFEFQPAKYTD-KJJMTIBFSA-N 445.608 2.353 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C1CCCCC1 1507712729 NKYOAHYEZCJMNB-PMACEKPBSA-N 428.581 2.112 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OCC)cc2)CC1 1507732918 LHJFOJHBRJMJBF-UNMCSNQZSA-N 439.560 2.204 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2C[C@H]2CCC)CC1 1507733778 MDQLIBKSZPVUPT-QZTJIDSGSA-N 435.532 2.252 30 10 IEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1507758047 HAARRQXOIMEVIS-SJORKVTESA-N 446.577 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508081797 PGHZQOXQKUQYKZ-HNNXBMFYSA-N 444.511 2.490 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](COC)C1 1508150378 DGTDQNRIDCWAGP-MRXNPFEDSA-N 426.550 2.313 30 10 IEEE CCN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515306924 FLOAUGVREXSVQF-UHFFFAOYSA-N 436.564 2.082 30 10 IEEE C#CCN1CCC(C(=O)N(C)[C@@H](C(=O)OC)c2cc(OC)ccc2Br)CC1 1528717359 STPGJPRCBGICHU-GOSISDBHSA-N 437.334 2.475 30 10 IEEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1534144471 DFKZAEUVHGBRQQ-OAHLLOKOSA-N 432.464 2.261 30 10 IEEE CCOC(=O)Cc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 1537759663 KLJDJRPJUNLUTO-UHFFFAOYSA-N 429.498 2.261 30 10 IEEE C=CCCO[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1539199035 GQNPYXWCKBULNP-WFASDCNBSA-N 428.270 2.272 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539212468 PALSMRRXHRDDMA-YLJYHZDGSA-N 430.574 2.417 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539513419 ONLFXPHXCLYZRM-QGZVFWFLSA-N 429.594 2.178 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539612092 IHPOBUDUOZGICV-OAHLLOKOSA-N 439.358 2.376 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1539939947 MHDBNOMHBWAQMH-DFQSSKMNSA-N 436.560 2.299 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)n3)CC2)c1 1540000746 IHFWMCVTEOLDED-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1 1540027441 WQTKSSLTTSTHCY-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)NCCNc3ccc(C#N)cn3)cc21 1540780090 OCKKFXDKPHSBTJ-OAHLLOKOSA-N 425.493 2.351 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)C1 1540892002 CTWJQSHAFJFWOJ-QFBILLFUSA-N 448.545 2.007 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540912015 JUWJGXDBERHYAS-IBGZPJMESA-N 426.546 2.077 30 10 IEEE CCC(O)(CC)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1546042962 DJJGWFVFRWSMAH-AUSIDOKSSA-N 446.596 2.046 30 10 IEEE CCOCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1548268428 OIOQIPZOVSRRJW-INIZCTEOSA-N 436.495 2.497 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1552748954 FQLVFDCGGRQNFY-ZBFHGGJFSA-N 434.342 2.105 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCN=[S@](=O)(c1ccccc1)C(F)(F)F 1558101798 PKQQNNLPHPCTPM-SIFYAQCWSA-N 444.435 2.066 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C2 1558675843 RHIIQSCYNOZJKM-KRWDZBQOSA-N 430.555 2.330 30 10 IEEE C#C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 1569674122 VFVYTNZFENXXCY-SCLBCKFNSA-N 446.326 2.478 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1570032672 ZJCGPBNYVOTLDT-UHFFFAOYSA-N 441.600 2.031 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1570857252 ZRWFCUYWVNLJFP-BBRMVZONSA-N 445.463 2.436 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)C1(CO)CC=CC1 1583348604 HZOPBUYREOWNAF-DYESRHJHSA-N 439.537 2.411 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1587765558 HZGAJMOIPABKEM-WMZOPIPTSA-N 435.550 2.205 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1588059645 RJDUEZBNRBZAIZ-ZVVDCOBXSA-N 434.606 2.045 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(F)c1 1588645998 FKVRXMAOLSNILO-QGZVFWFLSA-N 448.564 2.383 30 10 IEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594626847 PQZLZKJOJXSYFC-MOPGFXCFSA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595772930 JVFDTNSZTQMGDT-KRWDZBQOSA-N 449.577 2.140 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1595788710 HQZJJSGANBPBML-MOPGFXCFSA-N 443.573 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1C(C)(C)C 1595831544 RVRRDYXXDOGNMK-UHFFFAOYSA-N 437.610 2.158 30 10 IEEE C#CCN(C(=O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2)C1CCN(C(=O)OC(C)(C)C)CC1 1596147404 SMARMIDMGKSABG-NZSAHSFTSA-N 431.533 2.491 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCOCC1 1613314004 FFPTUVRNIACQGM-IBGZPJMESA-N 438.580 2.107 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CCOCC1 1622582402 UHOGCMFIMWZLBM-UHFFFAOYSA-N 441.347 2.209 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 1628173727 VQUXGXVJMSKVTB-SFHVURJKSA-N 440.443 2.470 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)CC2)cc1 1629485204 JSAFPCIXLREOCI-WOJBJXKFSA-N 440.481 2.103 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1 1630132767 JLDUUOZFBUEFKP-UHFFFAOYSA-N 427.526 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1638911570 UYAADGHBYLFSKF-GSHUGGBRSA-N 429.521 2.117 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 1641376144 LEHMFDCMOCUJTF-WOJBJXKFSA-N 431.577 2.397 30 10 IEEE CC(C)n1cc(C2=CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1641396456 AYMZKTUDDMEQGI-MRXNPFEDSA-N 442.545 2.103 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2Sc2ccccc2)CC1 1643372285 FACSMUDBPUNYKF-UHFFFAOYSA-N 433.530 2.202 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)CC1 1648423954 KMWOQKLOSJGFSN-IBGZPJMESA-N 426.561 2.282 30 10 IEEE CN(CCC#N)S(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1655637614 HTQPVUOHXUHVSV-DOTOQJQBSA-N 426.514 2.208 30 10 IEEE C#CC1(O)CCN(Cc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)CC1 1659571319 REYJGYDYZCGPKD-UHFFFAOYSA-N 430.574 2.191 30 10 IEEE COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1672560798 FORGOOFJZQJZSC-UHFFFAOYSA-N 427.486 2.085 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1675945092 NORVUZIOKMIADE-UHFFFAOYSA-N 426.542 2.426 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 1684363817 PZHIEXWEVYXBOZ-ZEQRLZLVSA-N 433.556 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(C(N)=O)CCOCC1 1689848090 OLHSXHYAHFUMDT-INIZCTEOSA-N 434.500 2.340 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1689901958 SINHVQZDHJHBCY-SJORKVTESA-N 431.562 2.313 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1689928447 OKHPSUAWANDQNV-LJQANCHMSA-N 438.507 2.134 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1689966237 NJXKOAGXCBZPHB-NHCUHLMSSA-N 441.601 2.087 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689994033 PQOIMCGRQRABMR-IMYXXEESSA-N 434.606 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1690045076 FZYPMPSTBHZQAQ-LJQANCHMSA-N 440.617 2.054 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1690117487 JFNJDQAEMJKYQB-SSEXGKCCSA-N 427.574 2.010 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)CC#CC 1690170429 ILODOKDQGSVVEJ-UHFFFAOYSA-N 430.537 2.021 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690188652 MZNDNCNNAIZRHO-SQNIBIBYSA-N 446.577 2.444 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1690563366 OUVLIXHSIQKWGR-XZOQPEGZSA-N 428.533 2.274 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1690585769 VFJNBRANYCTMJU-MRXNPFEDSA-N 429.550 2.071 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1690609142 FBZXMBFKVBDWBM-QFIPXVFZSA-N 429.521 2.034 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OC)C1 1690719279 JTZVHEDLLDEBEW-HNNXBMFYSA-N 425.942 2.210 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1694247467 APKQIQVISUMKAC-JKSUJKDBSA-N 436.438 2.227 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1697736481 GTWNXGXUWMESBX-INIZCTEOSA-N 436.495 2.355 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705519542 OAPNKOJUIPASFY-SFHVURJKSA-N 435.619 2.500 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(OCC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1705561622 VEBUVCAVIGAKIQ-LJQANCHMSA-N 443.573 2.260 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H]1CCCc2cc(OC)ccc21)[C@@H]1CCS(=O)(=O)C1 1705561629 RXSUTEUTNHFAAS-RTBURBONSA-N 428.558 2.342 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1705566578 OHGPXTIUMMWGJJ-SJORKVTESA-N 440.635 2.331 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCN1CCCS1(=O)=O 1705619654 YEJJWIMHGRNUNV-UHFFFAOYSA-N 433.553 2.390 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)c2ccccn2)CC1 1705635314 WAZLKPIUKYHHER-DEOSSOPVSA-N 438.576 2.058 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705654474 JVMMBOCIAWGPAK-LJQANCHMSA-N 435.557 2.223 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCn1cncn1 1705859099 HNPJATCDAXWQDV-UHFFFAOYSA-N 429.488 2.410 30 10 IEEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1707845384 RCCMGPDMSGYLOA-BEFAXECRSA-N 449.606 2.103 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCSC1 1711044667 GDGWVFRMKAALPK-CQSZACIVSA-N 436.488 2.052 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1722275683 FKQNVALQPKWKHM-OPAMFIHVSA-N 426.521 2.178 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1722351202 GZLLDCFDQMXERT-KKSFZXQISA-N 435.594 2.330 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722372080 OSUBMCLXUCFWDG-RBUKOAKNSA-N 446.573 2.217 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@@H]1C 1722428404 YPMGZANTDVFIJO-XUVXKRRUSA-N 433.597 2.003 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)N2CCOCC2)CC1 1722435170 HQZCXQVTPNALMD-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722696029 YPARIKGFKZHDCI-HNNXBMFYSA-N 442.911 2.371 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1724016126 WAIVZRUWJNDDFX-JOCHJYFZSA-N 445.568 2.445 30 10 IEEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1724122059 ATDQQRLQIDNTAT-MRXNPFEDSA-N 437.529 2.409 30 10 IEEE Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)c(N2CCOCC2)c1 1724354260 DHXSAVKTSINATD-SFHVURJKSA-N 434.548 2.468 30 10 IEEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726382210 WIUKWMWBJKUSRQ-DQRAZIAOSA-N 447.499 2.032 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccnc1OCCOC 1727013960 VUPZEUHGGGATHM-FXAWDEMLSA-N 439.564 2.437 30 10 IEEE CN(C)CCOCCn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1729342321 HWRRSXHSWOHLQZ-UHFFFAOYSA-N 439.608 2.348 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740565752 GLUWIRBMWCHJPX-KRWDZBQOSA-N 431.562 2.227 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740622304 WZGFCASVHTZWQL-IRXDYDNUSA-N 446.598 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1Cc1ccccc1 1740642745 ZUVCTQARNNBVAR-JOCHJYFZSA-N 430.556 2.138 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCOC2)CC1 1740692111 FEGCONSNHHNVMZ-MRXNPFEDSA-N 447.381 2.228 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1740774973 IRSBCKBGWLOZLP-FQEVSTJZSA-N 440.516 2.099 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1740978576 YCARFTDOUVISPB-GOSISDBHSA-N 432.546 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740991398 VXEHOTXLCNZTQI-MRXNPFEDSA-N 439.582 2.250 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[C@H]1CCOC1 1741683762 MHNONTGPDJYXBC-FXAWDEMLSA-N 438.532 2.292 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCO[C@H](C)C1 1742947035 AAEHUXPZKGQTTI-JTDSTZFVSA-N 446.577 2.211 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCOC1 1747659952 GWWXHZRXNRLBLN-IBGZPJMESA-N 440.548 2.065 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1748812535 VSAKDWDRUAQIPH-ZBFHGGJFSA-N 444.586 2.469 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@@H]1CO 1748919081 ZUYCQVNZNPPLFZ-HXUWFJFHSA-N 439.560 2.413 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCC(F)(F)F)CC1 1748994561 KDUSASAVYWGNDJ-UHFFFAOYSA-N 441.527 2.190 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1749005904 ALPHAQYEPYEQCX-UHFFFAOYSA-N 445.571 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCOCC(F)F)CC1 1749016992 RWJSIERYIUJHCF-UHFFFAOYSA-N 449.477 2.256 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1749032223 YXJWEPWFKXDHCF-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)OC 1749327046 HLHMJXKRILNDGC-KPDCDPCYSA-N 441.532 2.252 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)COCC2 1749600803 OUDFVOMIISSDNC-UHFFFAOYSA-N 425.533 2.160 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749627429 NGFBRTOJBLFDCF-MRXNPFEDSA-N 439.582 2.202 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749672214 SVXJDDAIBPFKLR-BBRMVZONSA-N 441.429 2.466 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1749676808 FDZMUJWCYMTFFK-UHFFFAOYSA-N 428.512 2.007 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750793937 OMGKYZOTRIZZIZ-QZTJIDSGSA-N 438.598 2.177 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C(C)C 1760241841 LQMFRTPRQUKSMU-PGRDOPGGSA-N 448.564 2.366 30 10 IEEE C#CCSCCn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760286743 UDUFWHYSORHVAR-OBFZPWGMSA-N 449.621 2.180 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1760490329 UYYXSUXOPOVNQL-JSXRDJHFSA-N 431.581 2.432 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCn1cc(Br)cn1 1760503469 JKBCZWZMRLYHNV-HNNXBMFYSA-N 439.358 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1Cc1cccs1 1760555641 JSHBFFDKFDXBKW-WBVHZDCISA-N 449.602 2.103 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)o1 1761760245 DCGVNUDEQMOVBA-AEFFLSMTSA-N 438.463 2.059 30 10 IEEE C[C@@H]1CCc2sc(-c3nnc(N4CCO[C@H](C#N)C4)n3CCOCCCO)cc2C1 1762812959 MFTQNCRGGAYVKC-NVXWUHKLSA-N 431.562 2.259 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)F 1767446731 NENJTOGBXKVDNT-GFCCVEGCSA-N 445.268 2.404 30 10 IEEE CN(C)CCCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768514166 MQKQOKFAVGSZEK-FQEVSTJZSA-N 435.532 2.381 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)CC(F)(F)F 1768911623 HVWYDQSBYLWDHQ-INIZCTEOSA-N 449.481 2.403 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769287230 YZPGUHPVWIKTRB-SJORKVTESA-N 446.502 2.494 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1769371578 GWHBZJQHQCGOGJ-UHFFFAOYSA-N 436.516 2.038 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1769849655 XFEUPUPNBNOQFM-LJQANCHMSA-N 435.532 2.375 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1771304837 LPKSINMPELJESQ-MUGJNUQGSA-N 446.596 2.241 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCC(F)F)CC2)c1 1771533914 FEZQEHLOOMXAEN-UHFFFAOYSA-N 428.447 2.148 30 10 IEEE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)ON1C(=O)c2ccccc2C1=O 1772790186 KWEJGBLXQOTDGJ-OAHLLOKOSA-N 427.800 2.299 30 10 IEEE C[S@@](=O)c1ccccc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1851787571 HNBQSDJYQQWUAT-HZAQMHFWSA-N 428.510 2.232 30 10 IEEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)C[C@@H]1CCCCO1 1853386191 JSSKJJLSLJUIPJ-IBGZPJMESA-N 431.500 2.444 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862594226 QFMZRSJTFQXKGI-GOSISDBHSA-N 425.397 2.015 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1890979651 YDHSRZGNKKOUBK-KRWDZBQOSA-N 436.464 2.018 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2010124460 UBPDGOUHFMBMET-XHSDSOJGSA-N 440.541 2.060 30 10 IEEE C#CCN(C(=O)CN(CCO)C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2022881316 GAECJCIPYGYOPP-UHFFFAOYSA-N 439.553 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H](O)C1 2044523664 XURFZNWEGKIPSG-LJQANCHMSA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2141245163 UZYDQCNRJJVEFH-MRXNPFEDSA-N 447.341 2.083 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)C1 2247551227 CUXBBSSWVKACRW-TXCIGDHXSA-N 431.455 2.209 30 10 IEEE COC(=O)[C@H](CCNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 2247912872 MUIDEYWIRULLIH-ZDUSSCGKSA-N 426.319 2.185 30 10 IEEE C[C@@H](NC(=O)CON(C)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248403438 GIXPPQPOTWEMAN-GFCCVEGCSA-N 441.359 2.418 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 2255148377 NESOXGYCSLMJCA-IHSWXRNOSA-N 449.548 2.140 30 10 IEEE Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255638808 PXTWCBASDPOPJT-UHFFFAOYSA-N 442.390 2.332 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2255697075 CZXKNUWVGRCLRE-UHFFFAOYSA-N 432.326 2.009 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255810607 DLZXYXUUNVDKPF-UHFFFAOYSA-N 435.305 2.070 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)NC3CC(OCc4ccccc4)C3)c2)OC1(C)C 2255950152 ICGFNTGWSVTFBE-UHFFFAOYSA-N 444.362 2.407 30 10 IEEE CC(C)(C)OC(=O)Nc1ncccc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256615853 XNYNWEFLAWHZRL-UHFFFAOYSA-N 447.326 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267101633 ZJEYWYDKWVPOPT-CVEARBPZSA-N 446.357 2.323 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)OC1(C)C 2267142852 ZWYBVICAWQZSPC-DEOSSOPVSA-N 436.365 2.447 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)OC1(C)C 2267144661 AFVMKNILLJIIHK-MISYRCLQSA-N 436.365 2.349 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267260451 NXPPFCKNJHPCDK-USXIJHARSA-N 445.369 2.310 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502951 VWOHTQSQQZQRAI-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267545944 PKFRXSQVQLAGHU-CQSZACIVSA-N 448.373 2.047 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267549622 NYBFTGZFOCIVME-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267591633 FITGCYPCFKIYGU-VYDXJSESSA-N 443.353 2.366 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267593466 LDQAZHZTYBOHCX-ZWKOTPCHSA-N 446.353 2.004 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273775836 RGDGBXLEBFXHAV-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE CC1([C@@H]2CCCN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C2)OCCO1 2282849663 FIJNWPROHQCXAR-CQSZACIVSA-N 443.396 2.211 30 10 IEEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327840286 OHXCSSYESCKDRC-HNNXBMFYSA-N 444.561 2.251 30 10 IEEE CC[C@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN(C(=O)OC(C)(C)C)C1 2337195240 WCOUIBYGRWRTAA-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC#CCN(CC(=O)NCc1c(Br)nnn1CCC)C(=O)OC(C)(C)C 2337922399 VOVFFVBYUKXLFQ-UHFFFAOYSA-N 428.331 2.327 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)Nc1nc2ccccc2s1 20806463 OXVZAIGNEUWHGL-AWQFTUOYSA-N 440.514 2.484 30 10 IEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c(C)n1 102743853 SWMZPPRDSQFSDB-SADKCHQCSA-N 436.512 2.237 30 10 IEEE CCOCCOC(=O)c1ccc(N2CC(=O)C(c3nc4cc(OC)ccc4[nH]3)=C2N)cc1 170177961 XRAQPKRKETYEBR-UHFFFAOYSA-N 436.468 2.481 30 10 IEEE Cc1cc(C)n(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)n1 253579557 ZUKUOLKIMQSVMP-REZTVBANSA-N 445.421 2.313 30 10 IEEE CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 439611481 MXZJNOMLHHQFKO-SFHVURJKSA-N 435.546 2.366 30 10 IEEE CCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447783775 UYSJFUGHVWUHJS-UHFFFAOYSA-N 447.564 2.021 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCN(C2CC2)C1 460385705 GVOKXYWHVCFCSF-KRWDZBQOSA-N 429.594 2.487 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 477362926 YBNXCEDONXMBAG-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 479178953 QVLFZEFBGIIEBO-GGAORHGYSA-N 448.571 2.324 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 481465723 OUBCVZJPYXQREI-RXVVDRJESA-N 440.569 2.396 30 10 IEEE CCO[C@H](C)c1nc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cs1 482458453 VGMKKKLGAQCJBG-UONOGXRCSA-N 436.559 2.438 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@@](C)(C#N)C(C)C 495420864 LTKVMIJVUQQPPR-CHOVIJNXSA-N 446.640 2.270 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 501868529 FSJRMOIRSBFUDY-LJQANCHMSA-N 427.553 2.476 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@@H](N4CCCC4)C3)CC2)cc1 502517952 BCNMPTRQOLQTHT-OAQYLSRUSA-N 444.601 2.436 30 10 IEEE COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 515625694 ANMDWYWMWKYEHV-GFCCVEGCSA-N 443.934 2.326 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 541910954 OARBVKQAKLMBND-UHFFFAOYSA-N 434.387 2.315 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1 560724342 HPLKWLGGSRRZRO-CQSZACIVSA-N 447.479 2.072 30 10 IEEE C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 577770799 GZFYXMZESFUYAB-AUSIDOKSSA-N 442.523 2.286 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(I)cc2Cl)CC1 609069990 QDCIGGQJEHULFU-UHFFFAOYSA-N 447.704 2.005 30 10 IEEE CCc1cc(C#CCO)ccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979930 IJWBXVAPJOOQRA-UHFFFAOYSA-N 426.494 2.021 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)/C=C\c1cnccn1)CCCC2 740965677 LXFYQAZVTHESMQ-QWPQOLDESA-N 435.484 2.403 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1C#N 754501441 QUUZGZVTWCIXHR-UHFFFAOYSA-N 430.464 2.340 30 10 IEEE C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(=O)O 757301110 RYXCWVLTHPTAFS-RTWAWAEBSA-N 438.480 2.422 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1Cc1ccon1 772922790 VEQBSGMFGHPNKI-UHFFFAOYSA-N 430.489 2.222 30 10 IEEE C#CCN1CCC(C(=O)N[C@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)CC1 789721356 RMBYCVVZKOBBFB-LEWJYISDSA-N 439.556 2.132 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)n1 790109977 KWDJTYVYMZVCMV-UHFFFAOYSA-N 443.573 2.029 30 10 IEEE COc1ccc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C)c1 793348725 ZUQHVDGQKWLXEG-UHFFFAOYSA-N 436.511 2.200 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(F)cc1Br 795567928 GFGBPLBAHNOMRM-HNNXBMFYSA-N 435.271 2.068 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)=NO1 798989029 FLHSYSATWLUFPP-GOSISDBHSA-N 441.532 2.331 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Nc2cc(-c3nccn3C)[nH]n2)c1 801617639 OPVXUHBSEZWQLV-UQQQWYQISA-N 442.505 2.267 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1ccc(C(=O)OC)cn1 803263870 KPSFEWASOJVDCV-QHCPKHFHSA-N 435.436 2.077 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)cc(C(=O)OC)c2)n1 812545888 HLXBAJTUFAFGLR-UHFFFAOYSA-N 434.290 2.354 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2c3c(nn2C)CCCC3)cc1 812924324 IZBZDIBXGSCAOK-QQTULTPQSA-N 444.561 2.433 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CC1(C#N)CC1 815413743 CPPZKFVMNWVRGK-UHFFFAOYSA-N 435.502 2.045 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2sccc2C)c1=O 838179959 JJIXEGVDKJDBQF-UHFFFAOYSA-N 440.546 2.321 30 10 IEEE CCc1noc(C[C@]2(O)CCCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 856677413 QNJNIPVLLULYQY-LRTDBIEQSA-N 429.546 2.450 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NS(=O)(=O)c1cncc(Br)c1 920797265 ZXVDCEZLSUXMJA-UHFFFAOYSA-N 440.323 2.009 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)c(C)c1 1084156806 HNAASSFHJJVYOZ-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 1117139476 BWNMJCMWHZZPIZ-UHFFFAOYSA-N 431.464 2.351 30 10 IEEE C/C(=C\C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)CN1CCOCC1 1136331912 PUFKDBFDIUIWMI-ABIVGWPGSA-N 448.589 2.497 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C#N)C1 1137215274 RPUXVAXIDAETMO-AWEZNQCLSA-N 441.444 2.493 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 1141804292 OZJMPMSHHVWGCB-FUHWJXTLSA-N 449.573 2.221 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 1143009905 DOBQNWJXCWTYCC-HNNXBMFYSA-N 435.546 2.195 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)cc1 1158652557 KRKHIXOVYKQBER-NGEICVOHSA-N 438.571 2.098 30 10 IEEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1179437827 RYMAMKCOUCHERQ-DNVCBOLYSA-N 440.422 2.363 30 10 IEEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)s1 1248525635 SUCOXQDAFNELEB-IOASZLSFSA-N 430.534 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286269370 DUXMBSJQLGCVFN-IAGOWNOFSA-N 430.553 2.372 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286337755 TVIHBYVUMIFURP-IBGZPJMESA-N 431.338 2.318 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1286390471 AHKHSVATTIDCTM-HOTGVXAUSA-N 426.608 2.288 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)CC1 1286485751 XGQLSMNLDGZLCH-SFHVURJKSA-N 444.580 2.142 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N 1286503246 CIBLWTJIYDAZDG-OAHLLOKOSA-N 431.591 2.343 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1286521588 ARBZCNYPYBTETD-NNMXDRDESA-N 433.622 2.293 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOCC)CC1 1286561792 OZBRTBUQDHUDBF-RTWAWAEBSA-N 426.565 2.480 30 10 IEEE C=C(C)Cn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286598745 BDESIQRIBAQRTJ-NFBKMPQASA-N 433.597 2.443 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286788073 PIIKNAJPLJNWFA-UXHICEINSA-N 425.533 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2F)C1 1286809000 FYHFYUITHDJIDL-QZTJIDSGSA-N 434.537 2.457 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CCOCCS(C)(=O)=O 1286961656 QBNSQCMIPZCLLO-CQSZACIVSA-N 425.942 2.256 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1288976424 ADGPOHUAHNHIEM-LAUBAEHRSA-N 429.546 2.259 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1297746989 HCOHUEOXNIFDQT-UHFFFAOYSA-N 442.467 2.287 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCc1ccccc1 1300266763 ASPRDNHNXCOQOV-KRWDZBQOSA-N 431.500 2.090 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1300276753 QQYMDUXHNRPOTG-SPLOXXLWSA-N 432.546 2.297 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2cc(C)nn2C)c1 1300331507 LWKJPNXGSPSSHT-UHFFFAOYSA-N 440.511 2.487 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CCC 1300459869 JTJDDLJDQLQFLR-KRWDZBQOSA-N 429.594 2.182 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1300495410 HBTIFBVFARVPEV-QZTJIDSGSA-N 448.614 2.411 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1300498305 IWCMJILLEPJJMN-IBGZPJMESA-N 441.582 2.309 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@H]2C)n1 1300680845 GCSRIJBTXYZGOV-UXHICEINSA-N 449.559 2.495 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1300848411 FSTVFUNFQPYAJP-AWEZNQCLSA-N 428.356 2.219 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301173891 LMYATSUIACKTAZ-OXJNMPFZSA-N 441.598 2.019 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1301411594 ZXZAFYDOYIIHIF-KRWDZBQOSA-N 434.562 2.313 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301492658 MLTGMRZMIMXCHZ-ZWKOTPCHSA-N 441.532 2.412 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(C)C)CC1 1301515222 RQICGSJJVZFDGA-UHFFFAOYSA-N 426.565 2.435 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCOCC2)CCOCC1 1302121626 UEVNCYFKYMCVJR-UHFFFAOYSA-N 441.532 2.256 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1302442798 YYFVUZWIMHIWFY-NRFANRHFSA-N 428.468 2.278 30 10 IEEE CC(C)OCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1303544481 GRYOVZOEOSPTHG-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)S1 1305151437 WYJURNGUSWYPQR-HUUCEWRRSA-N 434.591 2.086 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1305741642 YMZAPCJSJWUDFM-UHFFFAOYSA-N 425.507 2.292 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1cccc(OC(F)(F)F)c1F 1309631264 AJLMWVMTIQSFHK-JTQLQIEISA-N 429.310 2.285 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)N(CC)CC)CCOC1 1314099776 CLLAKVHIVBGPKY-QFIPXVFZSA-N 432.569 2.319 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCCCC2=O)CCOC1 1314111077 GHGRXLHGKYZCAA-HSZRJFAPSA-N 444.580 2.463 30 10 IEEE CN(C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1314669515 ATFAIKFXZGELGL-KRWDZBQOSA-N 440.321 2.056 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1315626798 XHQNBIGQWDPDIM-HTAPYJJXSA-N 426.496 2.234 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1358869833 XTLNOFHRGYDBER-ZDUSSCGKSA-N 428.484 2.034 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1358898610 XCBBVTOJQDXBJR-GOSISDBHSA-N 433.578 2.260 30 10 IEEE C#CCCCn1c(N2CCC(Nc3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1358935786 SRRWXDRLMVWHOI-QFIPXVFZSA-N 425.537 2.215 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1359132665 BUPHCHWVYFNGDV-GOSISDBHSA-N 446.573 2.344 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1359283451 RJEVCLQBDDGVSB-RYUDHWBXSA-N 431.971 2.367 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1CC 1359342869 GOSLBZSIQFLKJK-BBWFWOEESA-N 443.639 2.155 30 10 IEEE CC(C)=CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 1359608930 PRDZIVBUKPXTBK-MRXNPFEDSA-N 429.550 2.323 30 10 IEEE Cc1nc(=NC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 1361055777 RACZPFKGIBHRJI-RDJZCZTQSA-N 428.468 2.403 30 10 IEEE CCOC(=O)Cn1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1452590643 NFBFDAIERPOJEP-DBWCEAHUSA-N 431.493 2.172 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 1454223967 VYNORMKOLSOALZ-BBWFWOEESA-N 436.940 2.399 30 10 IEEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1457395062 SXUKKCAPISWTGR-UHFFFAOYSA-N 448.463 2.094 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCn4ncc(Br)c4C3)ccc2c1=O 1457936854 VHYVDNUTORERIU-UHFFFAOYSA-N 446.330 2.486 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccnc3c(C(=O)OCC)cnn23)C1=O 1467660944 FSLATFGCPCZJCQ-NRFANRHFSA-N 444.492 2.222 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1499954252 BZGHJSGTARHVTP-FOIQADDNSA-N 433.582 2.385 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1502375819 OUBFNXVTFLEFKM-SJORKVTESA-N 438.488 2.093 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C1OCCO1 1507636488 GVRLNLRINPLCQK-UHFFFAOYSA-N 442.479 2.092 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCc2ccccc21 1507641402 DQHVVFUKZJCWNH-RPBOFIJWSA-N 434.540 2.226 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1507661269 QIERGEFWIZOTHY-XMMPIXPASA-N 445.527 2.022 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cc(C)on2)CC1 1507722767 IBMTVUWNFWKUSG-UHFFFAOYSA-N 436.516 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOC(C)C)CC1 1507735274 QINHLRNXKMYLLU-UHFFFAOYSA-N 430.940 2.384 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507836010 TWMCWCXTJBQTTR-ZWKOTPCHSA-N 427.553 2.437 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1507944037 LTAWJXWBVJQHOC-CVEARBPZSA-N 444.565 2.145 30 10 IEEE C=CCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507952826 CJKPJOPICVVMTN-JOCHJYFZSA-N 429.569 2.345 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1507997733 XIIJVXIUPXFOQJ-VGSWGCGISA-N 443.573 2.405 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)on1 1508005989 FCPHLZAVXPLMQJ-CQSZACIVSA-N 436.563 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1508078481 BQYOBXUTYANSOV-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1nn(C(C)C)c(=O)c2ccccc12 1508098430 OZSZEQGLGVYPKH-UHFFFAOYSA-N 447.503 2.015 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1508106991 WORQMCXJZYAUFM-IXDOHACOSA-N 449.577 2.115 30 10 IEEE CC(C)OCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1509875493 GKRQOKKTPJDOPM-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1509951164 FNXYWJYTBIDMED-ZFWWWQNUSA-N 427.475 2.242 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1515508906 GGAIUBVBOSHIRM-VQIMIIECSA-N 430.578 2.170 30 10 IEEE COc1cccc([C@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1518346957 BWFAFCQLZWDLGH-FPOVZHCZSA-N 433.516 2.380 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1518832410 FRQYKESOSDGMIU-UHFFFAOYSA-N 430.472 2.468 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1518894901 DCWLFGHJYOGTBW-LAUBAEHRSA-N 429.546 2.069 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1534657529 ZWYSNSGLKLWSFT-UHFFFAOYSA-N 431.880 2.431 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539147222 DFXBGZIGBJYLAE-RTBURBONSA-N 445.589 2.386 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1539210866 HGVGCAIUTPXPOX-KRWDZBQOSA-N 429.571 2.215 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1539212573 QVOYWCYUPRPHKN-SFHVURJKSA-N 433.578 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCN(CC)CC1 1539307552 VPALLYAGSJPQAN-UHFFFAOYSA-N 439.995 2.484 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](OC)c1ccc(Cl)cc1 1539413763 NXHNLBQLXFFIBC-MSOLQXFVSA-N 431.924 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(O)cc2)CC1 1539475346 CFSMATQDPKEZMB-UHFFFAOYSA-N 430.512 2.254 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539511457 XJMVDDNJURTJEK-LJQANCHMSA-N 426.590 2.173 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539619393 FMBNFEOKHBCKTA-UYAOXDASSA-N 433.578 2.291 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539736191 ZATOZKPDZMKUGI-CQSZACIVSA-N 427.958 2.456 30 10 IEEE C=CCn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861549 WJUVQGMFCRFKHV-ZFGGDYGUSA-N 446.640 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1540890739 JKOJYXMEZAUGHM-SFHVURJKSA-N 431.562 2.217 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1541714232 QUJFQGILAKJBEO-JXFKEZNVSA-N 439.582 2.024 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 1542578562 REONRNMKINLHRZ-MOPGFXCFSA-N 426.542 2.420 30 10 IEEE CCc1nc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cs1 1546376283 QOLLLQFRLJLHKS-UTKZUKDTSA-N 446.577 2.309 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1557978829 ZIYCODMVEPNZTM-VGOFRKELSA-N 432.496 2.106 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1560071890 QOOXGVAARNFQEQ-ZWKOTPCHSA-N 448.564 2.490 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4ccccc4[C@H]3C(N)=O)C2)C1 1565773560 PJFVUUVNLIBBNF-MZUDPXRDSA-N 438.528 2.385 30 10 IEEE CCN(C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)CC(F)(F)F 1566232350 QTQVGYRMSGJULN-CYBMUJFWSA-N 435.443 2.469 30 10 IEEE C=C(CN(C)C)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1585292496 MHBWEFKFQKHKNY-UHFFFAOYSA-N 426.521 2.055 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588064560 KMZWTAMZKPXZFV-LJQANCHMSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1nnc2n1CCCCC2 1588251694 WFPUQCHIIWYSDM-UHFFFAOYSA-N 445.575 2.163 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1588672199 BTDMMWULIYMMCN-UGKGYDQZSA-N 445.589 2.448 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOCC(C)C)CC1 1588848943 ROMRHWDLEUQOGU-UHFFFAOYSA-N 435.576 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccnc(OC(F)F)c2)CC1 1588955038 OOUMNAVECXYCEW-UHFFFAOYSA-N 444.486 2.241 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1589162618 DSWZQVFUWLVQNW-ZQMYSKGWSA-N 429.565 2.226 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1593740965 HOTRNBGMOKDVSA-QGZVFWFLSA-N 425.599 2.246 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1595577405 RNKCNZUDXUHZNL-MOPGFXCFSA-N 425.533 2.331 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1596806299 FPBISUWIXMOVNX-MRXNPFEDSA-N 426.546 2.472 30 10 IEEE COCCCNC(=O)[C@@H](C)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 1611947720 PQHIJTZOMNJRTA-CYBMUJFWSA-N 427.318 2.123 30 10 IEEE CCN(CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O)[C@@H](C)C#N 1620448530 LAHIHOGKFMFYKH-BGARDKSCSA-N 446.529 2.090 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)nn2Cc2ccccn2)s1 1621191575 OXVNEZCXLIJBQR-UHFFFAOYSA-N 431.543 2.342 30 10 IEEE C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(=O)NCCc1ccccc1 1622138677 CRKCWLFHUYEVHZ-ZDUSSCGKSA-N 436.331 2.346 30 10 IEEE C#C[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1627747094 PMRRVWIPMGZIFC-FXAWDEMLSA-N 432.586 2.389 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)OC)s1 1630391232 FGBMMTWMQSXZMY-OAHLLOKOSA-N 449.554 2.448 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)c1 1630546555 KNQYZJYNCBULOY-FQEVSTJZSA-N 441.528 2.481 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1635905517 BPZXPDTVKQFDOD-INIZCTEOSA-N 433.551 2.421 30 10 IEEE C=CCN(CCc1ccco1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1637373312 PSZQELQEQVHSJC-QGZVFWFLSA-N 426.535 2.261 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2cccc3ccccc23)cc1 1638411208 BLFKUADDDOJBPZ-NRFANRHFSA-N 436.489 2.395 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)C(=O)OC(C)(C)C 1640182806 CWLXQUWNDWQTIQ-HOCLYGCPSA-N 437.562 2.234 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC[C@H]2C1 1642363758 ZYOXELMHLCHHGJ-XUKPUBBXSA-N 432.521 2.055 30 10 IEEE C#CCN1CCN(C(=O)CN(C[C@@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)CC1 1643418115 GAWVNRHFWZNIHA-BKMJKUGQSA-N 449.595 2.439 30 10 IEEE CCO[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1643704575 RQEHVZAQACVBJA-SVFBPWRDSA-N 433.549 2.354 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4csc(C#N)c4)C3)[C@@H]2C1 1644239567 DIJIOPFQZVRDRP-IMJJTQAJSA-N 432.502 2.274 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1645090477 BUZPQRGTERPREH-RJTVGWIUSA-N 435.521 2.000 30 10 IEEE Cc1cc(O)nc(N2CCN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CC2)n1 1645591999 NOFBUVBRSLLFLN-UHFFFAOYSA-N 429.484 2.332 30 10 IEEE C[C@H](CC(=O)NCCc1ccc2c(c1)OCCCO2)/N=C1/NS(=O)(=O)c2ccccc21 1645637036 CSOLEOWISTYUIL-OAHLLOKOSA-N 443.525 2.024 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 1645781795 RNJITOQOSATBNS-UHFFFAOYSA-N 431.583 2.097 30 10 IEEE C[C@@]1([C@@H]2CCCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)COC(=O)N1 1652122215 PQACNRPZDWLTIP-QRWLVFNGSA-N 447.333 2.494 30 10 IEEE Cn1ccnc1[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1 1663811603 FURZLWPWVOWNRT-IUODEOHRSA-N 425.308 2.253 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C1)C2 1683590619 RKEVUWMZLGNIMJ-UXHICEINSA-N 442.516 2.317 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)CCO2 1684057659 HWNXNGWGCNZXET-NYXBAERPSA-N 427.505 2.040 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1conc1COC 1689851528 SBAWLIQEAPAZHU-MRXNPFEDSA-N 436.520 2.093 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689856985 XRQPJUQYHROKQU-FQEVSTJZSA-N 444.587 2.307 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1689893091 UCOAPVQZENZXOY-HZPDHXFCSA-N 447.527 2.057 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1689916675 RIKGDSRXPSKGJP-NVXWUHKLSA-N 434.443 2.320 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1689986238 LNEGUVVSYMMLGW-KRWDZBQOSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCS(=O)(=O)C1 1690013252 HREIXLPHYBFKFW-SFHVURJKSA-N 449.536 2.498 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1690019278 FCSBATCKTFSZBH-NRFANRHFSA-N 425.577 2.138 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1690059243 MFTPOROWLJXUDB-YOEHRIQHSA-N 439.969 2.389 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1690117312 CLWWKTMABAXJFD-QFIPXVFZSA-N 439.560 2.295 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1OCCC1(C)C 1690615863 VHCIKCYJNGOSKD-IBGZPJMESA-N 438.536 2.375 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(C)CN(C)C2=O)C1 1690687700 HRKNCBOSNLFKAT-HXOBKFHXSA-N 441.532 2.222 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1692578031 BSXILUOCDNWQMV-PDIWNELESA-N 444.580 2.363 30 10 IEEE Cc1nc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 1693370067 JZJBLWPQYBJELA-YLJYHZDGSA-N 432.550 2.055 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1698238755 IYHBEDSWTPGAKA-AABGKKOBSA-N 430.553 2.001 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1698488399 OWLOECTXVYHDGZ-GVDBMIGSSA-N 437.422 2.124 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCCCC2)CCO1 1698494501 WFJWNMJRMCRJOD-INIZCTEOSA-N 444.486 2.278 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705522316 AFVKEQLDCRKJNO-FSSWDIPSSA-N 445.608 2.354 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705545053 NPCWJXSWCMOUKE-GCJKJVERSA-N 444.557 2.146 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1705551168 IEXUIDUXTOSLHV-OALUTQOASA-N 446.596 2.388 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1705677956 JASBTXXQCHQPPJ-JOCHJYFZSA-N 441.507 2.270 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705689172 DYELMAYYXLFUIR-HNNXBMFYSA-N 440.367 2.186 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705725175 MZBSMKHAEACBNP-MOPGFXCFSA-N 430.597 2.318 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1705829954 GUCGJQUJICYCPM-OAHLLOKOSA-N 425.580 2.174 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1705844044 UWOKGMFYXVDKPY-OAHLLOKOSA-N 427.571 2.059 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)C)C2)C1 1705929579 SZJRZCUAMOQXPH-VQTJNVASSA-N 430.597 2.302 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1706553775 SBYSFNKYWDJVGP-JOCHJYFZSA-N 442.589 2.172 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1=CCCOC1 1710731880 JJNNSHKSBZPLHL-UHFFFAOYSA-N 426.496 2.499 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2)CCO1 1712885986 FCKXSSOGEYOJLW-LSDHHAIUSA-N 432.575 2.284 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H]1OC 1722375847 SIXYLANUZZCXSN-UYAOXDASSA-N 426.542 2.237 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)SC)CC1 1722443763 NUFDGBSHSWNVRO-JTSKRJEESA-N 449.621 2.036 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722493834 AAYNSSJDKVUTQL-QUCCMNQESA-N 445.589 2.444 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722534194 ILMGVTVTLWSDOR-IBGZPJMESA-N 438.536 2.047 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722559496 ZNOUAGQPWCHBSK-GOSISDBHSA-N 440.523 2.154 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCO[C@@H]1CCOC1 1723307329 FJLSKDDZUQPSHA-GOSISDBHSA-N 426.521 2.207 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)c1 1724282805 ZTWIXHSRVVMQKZ-XMSQKQJNSA-N 427.505 2.008 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCCC1 1729372029 BVUREDOAXCEUIM-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N(C)C 1730759698 GQHUETFDYHSQKB-CQSZACIVSA-N 438.374 2.363 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1731188442 FRUNWBRCYDMKOC-CQSZACIVSA-N 433.394 2.386 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1740624429 IOPVMLPCAOLTHL-GOSISDBHSA-N 448.614 2.374 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnccc1OC 1740629368 LAQHIPRRHXQVSN-UHFFFAOYSA-N 448.914 2.386 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1740671738 NMMGPUKZYHETNW-PKOBYXMFSA-N 427.574 2.091 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2SC)CC1 1740689032 OBJQQTSLHXTIQU-UHFFFAOYSA-N 426.590 2.250 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCOC2)CC1 1740700739 ZYLBTAJDUNFBFZ-IBGZPJMESA-N 425.533 2.048 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740783677 QGDNKKOLUNWFJH-UHFFFAOYSA-N 444.486 2.217 30 10 IEEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740934105 RWXZKVDBGRFVGK-UHFFFAOYSA-N 446.573 2.284 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1741114396 VWMQTRSTQUHJDG-UHFFFAOYSA-N 449.481 2.417 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1741648888 GUVPERWUOQNSFR-IAGOWNOFSA-N 431.585 2.044 30 10 IEEE CCc1nnc(N2CCN(c3cccc(C)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1744692329 MDADTMDYBRXTRC-DQRAZIAOSA-N 435.532 2.002 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1748734930 KRQDXBAFUXFRDY-UHFFFAOYSA-N 431.562 2.113 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC(F)(F)F)CC1 1748958667 FERNUVUBAKCCHS-UHFFFAOYSA-N 439.486 2.039 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)OC)CC1 1749005957 CMWDTCCEPPWCBF-UHFFFAOYSA-N 430.940 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCc3nccn3C2)CC1 1749014880 PRMHLLRMDSPDMK-SFHVURJKSA-N 437.592 2.292 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749020068 KIGZCTFABWSCMX-INIZCTEOSA-N 446.602 2.223 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@]1(OCC)CCOC1 1749048645 SNDUVWSEYIRXHN-AVRDEDQJSA-N 444.605 2.414 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1749054330 RUCFQMSQIIXIHG-GCKMJXCFSA-N 449.552 2.487 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1749054942 ARGNKZDLBGOQLX-YADHBBJMSA-N 429.521 2.494 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC[C@@H]1C 1749221679 OQQMCCOEIYHGHL-FXAWDEMLSA-N 440.548 2.362 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1749309197 FXYXAPIBQWTECR-GOSISDBHSA-N 440.523 2.040 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749457055 NPTCOVYLIVALIX-SJORKVTESA-N 427.505 2.098 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1749573498 DUMGPESADLXPJN-IBGZPJMESA-N 440.523 2.432 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1749679761 ALUNSQKRPQZVRG-ZWKOTPCHSA-N 442.564 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](OC)C1 1749739579 GWUZRRMZQXCXAE-IBGZPJMESA-N 434.562 2.382 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)CC#N)n[nH]1 1751787915 GHPNIZOTGMSWQI-NSHDSACASA-N 432.330 2.454 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760160729 LNIACJFVPZPWAE-FQEVSTJZSA-N 444.417 2.445 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760188767 MRFQVIUKPWTQCR-AZUAARDMSA-N 444.605 2.020 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(SC)CCN(C)CC2)CC1 1760259416 AYZCILPDICWQIW-UHFFFAOYSA-N 439.633 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCCCC2)CC1 1760271576 CMZSRKARXNYGGR-UHFFFAOYSA-N 449.603 2.106 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OC)C1 1760279683 IAYXTZDVRSCCIA-MRXNPFEDSA-N 448.618 2.220 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](F)COC 1760294575 AOFUUUFECRDCBD-XMSQKQJNSA-N 427.528 2.429 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760380644 JSIOEHJXALQIPZ-RTBURBONSA-N 439.004 2.113 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCC(F)(F)C2)CCOC1 1761291666 MUCLERNCTHVXMA-JTDSTZFVSA-N 425.480 2.483 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC1CC1 1761501111 FGXWGUKOZVXEAQ-HNAYVOBHSA-N 444.561 2.138 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)C1 1761542115 BSDYCAFKYWIVTP-YVEFUNNKSA-N 432.422 2.276 30 10 IEEE CCCNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764554431 MQKJEISYLHCECE-SFHVURJKSA-N 427.578 2.023 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)C1 1767698244 XIZFHPXRIJTLPG-RZFJCUDFSA-N 441.532 2.274 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1768449845 SZFYNRGUNKEQKW-DSGGYQJVSA-N 435.488 2.076 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)C1 1769156432 BXJCIOHRQZPLCF-OAQYLSRUSA-N 436.545 2.182 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CC1 1771111948 BESQYXZWWYIPIZ-WTPASJBYSA-N 445.545 2.068 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1771261554 IROIVGOUMOHFSH-OKXSDPAFSA-N 443.573 2.217 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)n1 1851261052 MACQPZFBRJSYPI-UHFFFAOYSA-N 449.408 2.498 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CC[C@@H](N(C)Cc4cnn(CC(C)C)c4)C3)cnc2c1C#N 1851755500 WPLUYZBZGMPKFK-LJQANCHMSA-N 434.548 2.417 30 10 IEEE Cn1[nH]c(=NC(=O)c2c(F)ccc(C#N)c2F)nc1N1CCN(c2ccc(F)cc2)CC1 1851836674 GCHONTHGDHVMJL-UHFFFAOYSA-N 441.417 2.105 30 10 IEEE Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851842489 QUHLHADWSWJMBA-UHFFFAOYSA-N 447.539 2.251 30 10 IEEE N#Cc1ccc(CNC(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 1851879170 BTWGXNUFHZHWDV-UHFFFAOYSA-N 426.517 2.396 30 10 IEEE CC1(C)C(=O)N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)s1 1853689933 UFBMLJKZCAKWSN-HNNXBMFYSA-N 428.558 2.360 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@H](N3CC[C@@H](Oc4cnccc4Cl)C3)C2=O)ccn1 1854336494 NSHLCEBZGVIAAZ-AEFFLSMTSA-N 425.876 2.286 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)C1 1854479213 XWCUZOIMIKKHDM-CQSZACIVSA-N 445.994 2.049 30 10 IEEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 1860574765 FLDJYKKPTIJJJF-UHFFFAOYSA-N 428.514 2.398 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccc([N+](=O)[O-])c1C 1861009960 FRRJZTYVSCACOW-IBGZPJMESA-N 425.441 2.472 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1c(OC)cccc1OC 1861486022 VRXROZPEJWCBJK-SFHVURJKSA-N 426.469 2.272 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862704097 QQRNBMPXMHNGRO-LJQANCHMSA-N 439.424 2.318 30 10 IEEE COc1cc(C)c(C)cc1S(=O)(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)OCO2 1870097874 BKQOGDZEYMPLBR-UHFFFAOYSA-N 427.442 2.294 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CC(O)C1 1870542241 OQDMOHQIWGJORO-OAQYLSRUSA-N 449.592 2.059 30 10 IEEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560575 DTKDXVCTSOMNDI-IAGOWNOFSA-N 441.532 2.210 30 10 IEEE O=c1ccc(C(F)(F)F)nn1CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 1890222553 OGVPOXITIOQLNP-UHFFFAOYSA-N 433.305 2.399 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1895865249 YFDPKWMRKATIJN-ARFHVFGLSA-N 427.542 2.190 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987518842 LRDZEJNZWWWVGH-XHSDSOJGSA-N 427.542 2.332 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2011735813 VMNOWLZAOBETKT-HKZYLEAXSA-N 441.525 2.330 30 10 IEEE CN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)[C@@H](C#N)C1 2060820623 OMYFHTOCCHCTRM-FQEVSTJZSA-N 441.576 2.212 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnc2c1nc(Br)n2C 2180900702 VZBQALNGIJHMTQ-SNVBAGLBSA-N 437.298 2.371 30 10 IEEE CN(CCCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)CCCNC(=O)OC(C)(C)C 2232244757 ATIPLXMZJLAGJB-UHFFFAOYSA-N 448.417 2.451 30 10 IEEE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403829 GVEWXTJGKPJRKT-LBPRGKRZSA-N 440.375 2.137 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627550 VATUONHSZNLANE-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255674304 XKDDUVALGHARNJ-JLCFBVMHSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256016072 CDLGKENKYSLUKT-SHTZXODSSA-N 432.326 2.477 30 10 IEEE C=C(CN(C)C(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1)B1OC(C)(C)C(C)(C)O1 2256624414 MWQMQBFYBVMAGI-UHFFFAOYSA-N 435.334 2.062 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C[C@H]2[C@H]1CO 2266748458 PFPQPURXTIJYBR-GVDBMIGSSA-N 445.369 2.045 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)[nH]n2)OC1(C)C 2267142524 VTNKODPAEYECHJ-RBUKOAKNSA-N 436.365 2.303 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2267231357 BCMCUWZDGOOSAQ-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)C#Cc1ccc(Br)cc1)C1CS(=O)(=O)C1 2278739717 LAPSNQLZAWYMBW-MRXNPFEDSA-N 442.331 2.308 30 10 IEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)c(C)n1 2296609552 XVMPWMBWIIRAKO-LJQANCHMSA-N 442.541 2.299 30 10 IEEE Cn1nc(Br)c(Br)c1CNC(=O)C#CB1OC(C)(C)C(C)(C)O1 2301222510 GUDNOIRKFXZSRB-UHFFFAOYSA-N 446.936 2.196 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2301725672 QSOBRLHOONMHKX-ZDUSSCGKSA-N 440.371 2.317 30 10 IEEE COc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1O 2328261427 KJQYFMKNTRKYHH-UHFFFAOYSA-N 443.485 2.040 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@@H](O)C1 2339302773 QQGPDUIIRVERQP-LPHOPBHVSA-N 443.353 2.497 30 10 IEEE COc1[nH]c(=NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788439 PHRLLTJECMKHIU-ZDUSSCGKSA-N 443.275 2.024 30 10 IEEE C#CCO[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364178752 SNWMYEGTWVZSPD-SFHVURJKSA-N 432.542 2.287 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 110269153 SYQPAMRVLLZTSO-GHTZIAJQSA-N 429.517 2.222 30 10 IEEE N/C(=N/O)[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 236337029 VJBGEZMITALRPU-SNVBAGLBSA-N 438.063 2.405 30 10 IEEE C[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)n1cnc(C#N)n1 409624540 UIAXFMHBXDSZFW-LBPRGKRZSA-N 431.294 2.351 30 10 IEEE N#Cc1cc(NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)nc2ccc([N+](=O)[O-])cc12 443502993 XSWRUZLETHLMKC-VQTJNVASSA-N 442.479 3.025 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 462757093 XMCKJZGIXCNXAA-UHFFFAOYSA-N 425.464 2.354 30 10 IEEE C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1n1ccnc1 469383065 DSAUDLJFNNRTPB-UTKZUKDTSA-N 441.557 2.265 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)c1ccc(F)cc1 507552495 RWXQIXSCWQTXCW-AWEZNQCLSA-N 429.477 2.316 30 10 IEEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 517988035 SNHIENNQMVQQEC-UHFFFAOYSA-N 439.581 2.384 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)cc2C1=O 525360844 PELKMHWNYPWOMO-UHFFFAOYSA-N 443.456 2.301 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(-c4ccncc4)s3)CC2)cc1 525578484 PDEJTFBFIBJUBS-UHFFFAOYSA-N 439.522 2.223 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NCc1cccc(N2CCOCC2)n1 553852794 JSOUNLKDOJOPBQ-UHFFFAOYSA-N 437.319 2.031 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 555263955 RLPIYSURQTZSKS-UHFFFAOYSA-N 449.559 2.328 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(F)cc2)c1=O 603789023 ODPJKCZFRYCVAR-UHFFFAOYSA-N 449.507 2.172 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 603797727 GBIKXJWXYMZVPY-QGZVFWFLSA-N 445.972 2.162 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1-c1ccccc1C 603826431 CTOAZFVKYRAHCT-UHFFFAOYSA-N 441.459 2.058 30 10 IEEE COc1ccccc1NC(=O)CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 603935663 HLPNGCDXHMKSPE-QGZVFWFLSA-N 429.498 2.375 30 10 IEEE Cc1ccccc1OCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609200098 JTOTZJDDRXLDQQ-UHFFFAOYSA-N 442.541 2.352 30 10 IEEE N#Cc1ccc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(F)c1 609253378 FXCNAFYQVYIDBV-UHFFFAOYSA-N 436.440 2.179 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 610166261 JPMCBOHFEFMJMZ-DENIHFKCSA-N 434.544 2.074 30 10 IEEE C=CCOCCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 679492526 KJBAJGZWQHLBRB-UHFFFAOYSA-N 443.569 2.126 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cscn2)c1 730144876 TULHIHGOMCVATF-GOSISDBHSA-N 441.582 2.324 30 10 IEEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCO1 741251343 COHLLWMJSDJOCD-HXUWFJFHSA-N 442.491 2.366 30 10 IEEE C=CCn1c(-c2ccccn2)nn(CN2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747830044 FAPZRHXGUYSQTO-MWDXBVQZSA-N 443.529 2.045 30 10 IEEE CCc1c(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[nH]c(C)c1C(N)=O 748368620 ZGPXDXBCVVGTMH-UHFFFAOYSA-N 435.402 2.328 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 751621441 BGCRPSRXTQYWNF-HQQUCIOCSA-N 431.495 2.353 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 757298127 VVNKBENLOXUKGQ-HZMBPMFUSA-N 449.476 2.330 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 764749509 OLURGWXXDABCQY-UHFFFAOYSA-N 441.509 2.238 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c(-c2cccs2)n1 769640978 CCVZNCGJNSHMMJ-UHFFFAOYSA-N 440.513 2.259 30 10 IEEE COc1ccc(C#N)cc1COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 772283661 LBFQONBNXYWDFV-HSZRJFAPSA-N 437.452 2.394 30 10 IEEE C#CCN(C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 774035786 NSPGZXVOKJKFRJ-LJQANCHMSA-N 441.509 2.358 30 10 IEEE O=C(COC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12)NCC#Cc1cccc(C(F)(F)F)c1 800254668 ZMTMWQNLEVNUIY-DLHHKTKFSA-N 429.394 2.043 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)cn1 801713130 QPBXEPCDQSRHCA-SFHVURJKSA-N 429.440 2.389 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1C#N 803246775 UJELXYJFZMBGMB-MRXNPFEDSA-N 426.904 2.479 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CCCN1C(=O)OC(C)(C)C 809623827 AQRAFACVIAMFEI-SBUREZEXSA-N 431.508 2.379 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856541358 DVGPRFRIKOWCCJ-YZGWKJHDSA-N 435.528 2.181 30 10 IEEE C[C@@H](C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1)n1cnc(C#N)n1 1129096915 WBZMRZAYUZTBLD-JSGCOSHPSA-N 435.269 2.407 30 10 IEEE CCc1nnc(S)n1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1136841176 WPBZAZOSMVELLR-LQZXRHCMSA-N 434.566 2.032 30 10 IEEE CCOC(=O)CON=C(C(=O)NCC1(c2cccc(Br)c2)CC1)c1cc[nH]n1 1147142263 RVWMBDKDUSCYJO-UHFFFAOYSA-N 449.305 2.304 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cc(OC)ns1 1157174591 VBJAYIVYBMFURY-OAHLLOKOSA-N 436.559 2.408 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 1157653272 JFFAQTWYZVQXKB-INIZCTEOSA-N 427.461 2.299 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)C1(CO)CC=CC1 1164312550 CTPHBDKRDGKNJV-UWJYYQICSA-N 439.537 2.411 30 10 IEEE CCOC(=O)[C@@H]1c2ccoc2CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1174562567 FJVBFRJRAUPBFW-UTKZUKDTSA-N 442.541 2.212 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)cc1 1211899484 DZHRXOYEMGQISU-UHFFFAOYSA-N 431.426 2.042 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCn3cnc(C(F)(F)F)c3C2)[C@H](C#N)C1 1225938670 RONOCSQPYRXIBT-VXGBXAGGSA-N 428.415 2.186 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)CCC 1286285445 MWHORXGGFMKVGY-QGZVFWFLSA-N 431.610 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286291704 FIVYWUUXAFGMGE-PZJWPPBQSA-N 436.560 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCc1ccc(OC)cc1 1286297005 UIIRUFAKYHENPC-MJGOQNOKSA-N 446.573 2.254 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1286314429 OLRONUJJSGLDNT-ZDUSSCGKSA-N 430.372 2.181 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286396492 VRPRTAGBKLGXHO-VQTJNVASSA-N 443.573 2.093 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C)n(C)c1=O 1286402656 GYUUORHJBOUHRG-UHFFFAOYSA-N 431.496 2.091 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1286714162 MMBGVLFOFBIOAN-LJQANCHMSA-N 425.541 2.165 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1286727074 LTTOQDHVHBHTTD-IBGZPJMESA-N 449.577 2.069 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](F)[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1286794038 UJYZGEGSIMIHLV-DNVFCKCGSA-N 443.523 2.174 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)CN2CCOCC2)C1 1286812857 UMOMOUMUHXIJIG-PXNSSMCTSA-N 446.621 2.383 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1286829503 DNIVGLADFPUPGS-NRFANRHFSA-N 439.545 2.215 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1286863645 DWMXWZRXRZPOGU-UHFFFAOYSA-N 436.545 2.278 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1286958992 CLRCWXRQDAAPMM-QWHCGFSZSA-N 426.493 2.005 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1287097961 AKXIURXCQWQTBW-MOPGFXCFSA-N 438.532 2.137 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOc1ccc2c(c1)OCO2 1288125144 GYJJCSCDPVKLSW-JOCHJYFZSA-N 440.504 2.354 30 10 IEEE Cc1nnc(N2C[C@H](C)O[C@H](c3ccsc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290752002 HDGYYYWPKZGPTF-SPNCCCOHSA-N 428.518 2.141 30 10 IEEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)OC 1291424676 AQBZFCIHOZHMEL-MVJPYGJCSA-N 427.505 2.351 30 10 IEEE CCN1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1296203843 PWAWEFDIVLYLAV-QHCPKHFHSA-N 440.571 2.124 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCn2ccnc2C)c2ccccc2c1=O 1296213208 BIYAVAXJKRVSSW-INIZCTEOSA-N 445.531 2.476 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC2(O)CCOCC2)c1 1300331495 LTOXMCALYPDRSR-KRWDZBQOSA-N 425.533 2.389 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)Nc2ccccc2)CC1 1301066537 RKXQVYPTLVVEPP-MRXNPFEDSA-N 432.550 2.074 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301209107 LVEXUCKIINJIJN-KRWDZBQOSA-N 426.521 2.485 30 10 IEEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301259791 RGCGKSNOSVFNHJ-LJQANCHMSA-N 440.548 2.280 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 1301506642 NHFPMHKASWIDCN-UHFFFAOYSA-N 445.564 2.413 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)C1 1301554949 PZNLQXNTPYCGKE-INIZCTEOSA-N 429.525 2.383 30 10 IEEE CC(C)COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1303216024 ODBDPZIDVXOTJS-INIZCTEOSA-N 428.493 2.210 30 10 IEEE CCN(OC)C(=O)CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1312914462 PVUTYYOASWBTTN-HTQZYQBOSA-N 427.292 2.209 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)CCOC1 1314137959 HJIFEAPKHLGRSP-SELNLUPBSA-N 446.596 2.169 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1358912242 MNUMGNFGUPDQCI-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358960092 WYMUULIBXKRCLR-INIZCTEOSA-N 446.483 2.212 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358962619 TWQAKGMIPOFNCY-JUXOCIIHSA-N 433.622 2.293 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C 1359052642 LREAAMUHKOZELJ-UHFFFAOYSA-N 429.546 2.044 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@H](C)C1 1359053547 QNUDRAXLMGTHIR-QGZVFWFLSA-N 443.573 2.197 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1359070599 PXYDLDGXJVDASH-CWFSZBLJSA-N 434.587 2.142 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359222687 OYOPSQRROCRWPL-ZIAGYGMSSA-N 439.504 2.260 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1359239973 CACUWPYZKMEIPL-LJQANCHMSA-N 445.545 2.336 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccn(C)n2)C1 1359313021 FRUFTSHOJJFTOG-KNQAVFIVSA-N 430.553 2.076 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359471310 PPLRGCBGWZCCFR-INIZCTEOSA-N 436.520 2.191 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359476512 GINWRFYJKVFBGJ-HZPDHXFCSA-N 433.557 2.252 30 10 IEEE CS(=O)(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1C(F)(F)F 1461536304 BZIHKPBYGCDDBO-VXGBXAGGSA-N 425.226 2.368 30 10 IEEE COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1C 1467411856 QJAPQCOWMGRZCL-OAHLLOKOSA-N 445.472 2.363 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)cc1 1468165624 SYTRMUOFUYQIPF-UHFFFAOYSA-N 437.315 2.347 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1471536086 QFSZUNYPMWESEO-CYBMUJFWSA-N 431.352 2.291 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(n3cc(Br)cn3)CC2)c1 1471750474 HRTOSKMSVLVZBE-UHFFFAOYSA-N 439.335 2.029 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(COC)CC1 1503274217 POLHMCUTOPTKRL-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1505041765 YQIFWJMYYSMNSX-AUSIDOKSSA-N 441.532 2.112 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCCCCC1=O 1505058091 GGOUEDGIEXQWFB-HBFSDRIKSA-N 432.569 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCC1 1507521917 RSRCKFQXEHLHHT-KRWDZBQOSA-N 444.605 2.138 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOCC1 1507563549 XQVNXMGZWFNPPR-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2scnc2C)CC1 1507719233 LTPURIQQPSLQDL-JOCHJYFZSA-N 444.605 2.082 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1507765995 YGMAPACFAKLMDF-OAQYLSRUSA-N 440.529 2.021 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1)C1CC1 1507987574 GSXXTGOYOAWOEI-OAQYLSRUSA-N 438.594 2.298 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1508018897 IPRTYIHAXBBSQP-LJQANCHMSA-N 444.557 2.452 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1508035988 IEPSGITTYMCNQD-QZTJIDSGSA-N 425.599 2.245 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)nnc1C(C)(C)C 1508097049 GJMISZLUUIWIDA-KRWDZBQOSA-N 439.564 2.436 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCc2sccc2C1 1508143062 IYPHSYCYXLACMB-UHFFFAOYSA-N 449.602 2.016 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)cn1 1514701158 HCGIPHOMDOGREH-IBGZPJMESA-N 432.440 2.115 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCO[C@@H]2CCOC2)CCOC1 1516170950 POPVDOVEJKMCCC-XMSQKQJNSA-N 433.553 2.256 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)C[C@@H]1C 1517711491 WJVKKVYWLPBPEW-KRWDZBQOSA-N 425.537 2.434 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1518691121 KYIVUGODOHUJLX-QGZVFWFLSA-N 448.531 2.224 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CC2=O)cc1 1527636893 GRVSPRDSYJBTGN-IBGZPJMESA-N 431.496 2.218 30 10 IEEE C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)nc1 1531788326 ZZUNVLJRNPJVEU-HIFRSBDPSA-N 425.407 2.056 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1539072274 ONQLZFWPXJAFSK-FQEVSTJZSA-N 445.589 2.359 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC1CC1 1539179764 RNRMSCHWMKAKLU-SFHVURJKSA-N 433.553 2.473 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1539219945 OQSGUWOBQMFFTE-KEXUJGGDSA-N 448.633 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c(c1)CCO2 1539232650 LEUIUPVFVVHWKN-UHFFFAOYSA-N 426.480 2.176 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)c2nccs2)CC1 1539482537 URWNVWHDJOAYHW-WBVHZDCISA-N 428.562 2.008 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539516714 AWCBMBJPSQXIMY-DYESRHJHSA-N 430.578 2.024 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1539538067 BEABWRQJOMPQPU-NPPFBWRTSA-N 444.605 2.405 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539820421 GBGVNSRUUSFDBB-CQSZACIVSA-N 426.926 2.242 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540873323 UUWZXWOZUYGTET-MRXNPFEDSA-N 440.577 2.054 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1540875940 CHVYALJKOIXGRB-WZONZLPQSA-N 443.523 2.365 30 10 IEEE Cc1noc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)n1 1543429087 GISKZEANMUZKLP-LJQANCHMSA-N 444.496 2.036 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1547434373 FESRCCJGKGYSIS-AZUAARDMSA-N 438.580 2.453 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(F)cc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1548084874 JTJNQFUSVWJVGK-FMQUCBEESA-N 446.458 2.256 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N=c2nc(C)[nH]n2-c2ccc(F)cc2C)s1 1558591793 AMSIZNJJBBDLCJ-UHFFFAOYSA-N 449.533 2.152 30 10 IEEE COC(=O)C1=NO[C@]2(CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)C1 1560081158 CNPYOROAUSNRLZ-HSZRJFAPSA-N 435.484 2.298 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CCO2)c1 1567193929 FYGNWEYQMYOHED-FGZHOGPDSA-N 435.480 2.496 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)C2)C1 1567253117 SQCGXDURDPIOCH-HPPCZTNOSA-N 443.544 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587587050 WWCKRNGJEDGDGN-CVEARBPZSA-N 427.530 2.431 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064132 BGIAPSPALLNLGA-PKOBYXMFSA-N 428.558 2.325 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1C 1588194558 XJAUWHFJGUHZIZ-ICSRJNTNSA-N 440.569 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCCC2(C)C)CC1 1588929567 CWVBWRIDYCSUMU-YADARESESA-N 443.592 2.427 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1589658378 ZTZFNHCBNLRBCU-HNNXBMFYSA-N 435.525 2.360 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1594167414 BWGAWCIOJOWCQN-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1595593587 GOCJSLUSOMKXTH-OAHLLOKOSA-N 448.593 2.449 30 10 IEEE N#Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(F)cc1F 1595652758 HQEGIYZEIWHQQB-UHFFFAOYSA-N 425.388 2.249 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1595664857 LJIPCTHSJGPVKX-OTWHNJEPSA-N 448.612 2.085 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1611251455 CMWGEWQYASRSRG-QGZVFWFLSA-N 442.379 2.305 30 10 IEEE Cc1c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)cnn1C 1611859567 VPWJIKJKGACESW-UHFFFAOYSA-N 431.460 2.117 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1(O)CCC1 1613314229 HADYYCAGURNWIO-MRXNPFEDSA-N 426.569 2.337 30 10 IEEE CCc1nnc(N2CCc3c(F)cc(F)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613988420 WHDITJFQPUDPTH-VXPUYCOJSA-N 428.443 2.208 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(c2cc(C#N)cc(C)n2)C2CC2)C1=O 1617107038 ZALYWTQHCICFFT-HSZRJFAPSA-N 433.468 2.233 30 10 IEEE Cc1cc(=O)c(C(=O)Nc2nc3n(c2C#N)CCOC3)nn1-c1cccc(C(F)(F)F)c1 1617124285 AUNOJLIXYSQOKW-UHFFFAOYSA-N 444.373 2.410 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1620204632 ZICKTPBXCJLJII-HRAATJIYSA-N 429.546 2.476 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 1625811286 CCVGCUWOTJKCNL-QGZVFWFLSA-N 447.532 2.085 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H]3[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)CC2)c1C#N 1628903416 GLWHXQNAIYUJFW-USXIJHARSA-N 431.562 2.475 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1632218993 QERRRTFPIXYJJY-KRWDZBQOSA-N 442.269 2.109 30 10 IEEE C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1633092512 TYGPABJBWXOOMK-OQXXTQHASA-N 434.581 2.077 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 1636227555 NIDORONMVLEPIK-VRQAPCGNSA-N 432.473 2.192 30 10 IEEE COC[C@]1(CO)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1640895784 BJGLBHDTKPERFG-WMZHIEFXSA-N 429.517 2.250 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3C[C@H](C)O[C@H]3C)nnc12 1641647942 LMWVVQUQFWXSRR-KKUMJFAQSA-N 427.530 2.252 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1)c1cc[nH]n1 1646339580 MPYZVUVTDKXHNV-ZDUSSCGKSA-N 434.880 2.377 30 10 IEEE N#Cc1cn(CCC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)c(=O)nc1O 1648353545 CAQHSYJSFANWCR-UHFFFAOYSA-N 425.832 2.368 30 10 IEEE CCOC(=O)c1nnn(C2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)c1C(F)F 1648600406 ODHFGGVWDPJKAL-UHFFFAOYSA-N 446.410 2.336 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1649142007 ORSQNOOQECKCJM-VUCTXSBTSA-N 438.468 2.216 30 10 IEEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C#N)c(SC)nc1O 1653481785 VHLIENVTPHIPDN-AWEZNQCLSA-N 436.534 2.479 30 10 IEEE Cc1c(S(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)sc2ccc(C#N)cc12 1654565087 BYYXQXPPERGDKS-UHFFFAOYSA-N 439.584 2.316 30 10 IEEE CS(=O)(=O)Cc1noc(CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1654967975 DVXYLONSBLDYSE-KNVOCYPGSA-N 443.316 2.217 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)cc1 1666059454 ULGCPNCEMNDOTQ-ASNBIDDJSA-N 433.526 2.200 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C2)c(=O)nc1O 1682985985 UXTUFOKBYWUXSO-NNUKFRKNSA-N 444.289 2.096 30 10 IEEE COc1ccc([C@@H](Cc2ccccc2)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1683068639 HDLUMRNXWWAESG-HXUWFJFHSA-N 433.468 2.112 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)nn1 1683482842 DJWAOJBNFBGDFS-OAHLLOKOSA-N 428.459 2.187 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(=C)C)CC1 1690114784 HMYSSLFSCMXAPO-UHFFFAOYSA-N 433.354 2.384 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1690507801 WYARQHJMYAJEHU-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690509914 NKXNFPWBQDDPOF-SFHVURJKSA-N 428.512 2.157 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)[C@@H]1C 1690663187 OVEHRZVWSYXHBW-GJZGRUSLSA-N 442.589 2.101 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690664350 PSXFVYAJFSZBFG-JKSUJKDBSA-N 433.578 2.068 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1690745073 XJWQFTHKRXJDFK-KRWDZBQOSA-N 428.624 2.088 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1690918921 XVDHMPZGAHJHFJ-UXHICEINSA-N 438.532 2.260 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1691000000 URDCJIUCUAXQSE-PBHICJAKSA-N 434.504 2.021 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCOCC2)cc1 1693129007 HIWYOGUQEZUFNP-GOSISDBHSA-N 426.521 2.010 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCC[C@@H]1OC 1696335712 AKWQOSAEQFJEJJ-LNLFQRSKSA-N 440.552 2.006 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)CN(C3CC3)C2=O)cc1 1697480548 YPCCFBCROBCULW-HJPURHCSSA-N 438.532 2.472 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697778475 ZVHWTWIXNUEWBC-QGZVFWFLSA-N 425.468 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1705586220 ZRRLDRVMSOXMMZ-UHFFFAOYSA-N 425.496 2.311 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1 1705677003 XNHWWZDTZUKGOS-OAQYLSRUSA-N 443.573 2.193 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705729319 SIAIZWMTPWUZPX-UHFFFAOYSA-N 443.474 2.398 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)N(C)C)CC1 1705785437 IIBFXDHMNOAWIB-UHFFFAOYSA-N 449.577 2.160 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1705908664 GPKCWBXITQTWDC-LQWHRVPQSA-N 443.523 2.437 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCn1cccn1 1705910671 JRHWDBPRJMEQKN-UHFFFAOYSA-N 435.532 2.460 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NC(C)C)C1 1705916450 KUCKIBWWFUALIQ-AWEZNQCLSA-N 437.342 2.342 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NC2CCCCC2)C1 1705928320 OTHSGENGKCQOTO-CUWPLCDZSA-N 447.580 2.232 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1706747226 JTLXMJXHRYHGMC-IWKHNONTSA-N 437.479 2.273 30 10 IEEE CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1709556589 FBFGJTVWKUIDEF-ROUUACIJSA-N 428.537 2.232 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1710866169 GUSHTUYHWBCNLV-UHFFFAOYSA-N 428.493 2.270 30 10 IEEE Cn1cc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cn1 1711255997 JHEPNAMCBGKEPY-MRUHUIDDSA-N 444.515 2.273 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC1 1711352263 QKAHZTSHONXOLM-UHFFFAOYSA-N 449.559 2.086 30 10 IEEE COCCCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712405229 SZZRFKQMOJZRKV-VQTJNVASSA-N 427.505 2.322 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722317167 CVWBTVZLFKMQTD-UHFFFAOYSA-N 443.621 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1conc1COC 1722375346 BMUIBDIOGLOQFM-UHFFFAOYSA-N 429.278 2.291 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)NC(C)(C)C 1722427477 VQPIESJDKBBQAD-LJQANCHMSA-N 441.532 2.181 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCOCC1 1722511821 MSJPTCPNQQJNRC-SFHVURJKSA-N 437.552 2.044 30 10 IEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1722605129 WHVZPXUZPUTUJC-QGZVFWFLSA-N 448.568 2.221 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC=C(C)C1 1722693430 NMBIKGZUWHLNDX-UHFFFAOYSA-N 427.505 2.430 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1722728293 PCCHQFLSDNCOMX-MJGOQNOKSA-N 432.546 2.430 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(F)ccc2F)CCOC1 1723690836 KGGBLPWIJOCAST-UTKZUKDTSA-N 433.459 2.374 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)CN1CCOCC1 1727613030 BWRZJQIBFBCJKY-HXUWFJFHSA-N 437.592 2.003 30 10 IEEE CCCCOCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728088169 HCFURBFXVABUBH-UHFFFAOYSA-N 426.569 2.288 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1730875709 LYLSACSDYALQTL-UKRRQHHQSA-N 440.426 2.193 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)CC2CC2)CC1 1731185449 CGOXAYCQIVJDOV-UHFFFAOYSA-N 444.517 2.418 30 10 IEEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1740578864 MSOKBJOLPTVOEO-JSGCOSHPSA-N 427.481 2.212 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC(C)CC1 1740636393 YWLOLESKFRXEOR-UHFFFAOYSA-N 443.559 2.116 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ncccc2N(C)C)CC1 1740691697 BDGJDTYWLSHHOL-UHFFFAOYSA-N 431.544 2.218 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1740698974 RNJVVNLOXVDIQB-OYRHEFFESA-N 428.625 2.265 30 10 IEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740808275 FBUIUXCJYYXMFY-UHFFFAOYSA-N 428.928 2.406 30 10 IEEE CC(C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1741258404 BDHJRMQJLLHDLL-UHFFFAOYSA-N 435.507 2.372 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1741993091 FTBNUNSVBNYHKT-HZPDHXFCSA-N 448.449 2.499 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1747345854 MTYYDHKBJKQRGM-SFHVURJKSA-N 447.561 2.026 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748684480 KHTSIALSKXYCHG-ZWKOTPCHSA-N 431.562 2.047 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1749053222 DGNYXDAUABYCIF-DYESRHJHSA-N 436.626 2.002 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCn2cncn2)CC1 1749304414 ZZORFWRTEWQMRY-QGZVFWFLSA-N 444.540 2.035 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](COC)C1 1749656041 YPISEVOBNPBCBG-MRXNPFEDSA-N 428.493 2.408 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nccc(C(F)F)n2)CCO1 1750386533 MHRNHFLHOFRRHE-GFCCVEGCSA-N 432.822 2.498 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCSCC1 1751251520 GBEOBICTKAOSFD-VQIMIIECSA-N 446.552 2.335 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(O)c2)CC1 1760161882 QQIJQBKJFSVRTM-RXVVDRJESA-N 425.533 2.448 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1760162427 SOOZHLJASVHYQJ-QGZVFWFLSA-N 430.553 2.132 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760187782 GPOHXSBLOCQZMI-BQFCYCMXSA-N 431.562 2.104 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189467 JAVYLEFECPQAJH-ZHALLVOQSA-N 448.614 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1nc(C)no1 1760212469 VUPRRVRSINFFLD-QFIPXVFZSA-N 426.521 2.106 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](F)COC)CC1 1760269009 VHCZVOKPXKYJIC-KRWDZBQOSA-N 438.507 2.377 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sccc2C)CC1 1760389433 KLVAURXGCUIZSO-INIZCTEOSA-N 437.591 2.186 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(=O)OC)C1 1760447556 MLTFQINSEIXIHG-QGZVFWFLSA-N 428.489 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](OCC=C)C1 1760515760 RLGRQYZFWXZCDD-AWEZNQCLSA-N 435.326 2.119 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1761362531 CVODQRKUDRMKCB-IRXDYDNUSA-N 441.561 2.359 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1764568355 FMQBBNSQHOYZNH-UZUQRXQVSA-N 438.532 2.117 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC2(C)C)C1 1765671818 GUWGUPNPTNXWPV-QZTJIDSGSA-N 428.562 2.381 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1768966805 BFGHZHIJRBJZRP-UHFFFAOYSA-N 431.500 2.222 30 10 IEEE C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)C1(F)F 1770668997 NWXVBUGYPPTYFF-HZSPNIEDSA-N 439.488 2.421 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(N)=O)cc1 1771189575 ZNXJQWRMFPRXOZ-INIZCTEOSA-N 426.521 2.279 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3[nH]nc(C#N)c3C2)cc1 1849793325 XNPIFVJKMPZLFV-FQEVSTJZSA-N 441.557 2.317 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)NC1=O 1851982971 GQHPCKCUKADTNB-FQEVSTJZSA-N 444.491 2.403 30 10 IEEE CN(C)C=NC(=S)N(C(=O)CN1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 1852851229 JWPYWHXXMRSODL-UHFFFAOYSA-N 437.374 2.237 30 10 IEEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC[C@H](Oc4ncccc4Cl)C3)CC2=O)ccn1 1857192790 RNONYWQALCXOLG-PBHICJAKSA-N 425.876 2.144 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)c2nn(-c3ccccc3F)c(=O)cc2O)nc1C 1859644541 RCSUFGLASDOTGM-UHFFFAOYSA-N 430.417 2.437 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@@H](COC(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1860081723 NZUFXBQPFSUABI-QGZVFWFLSA-N 431.448 2.250 30 10 IEEE C=CCNC(=O)[C@H](CCCC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861594284 SSFFZDBCPXBXKM-MOPGFXCFSA-N 445.560 2.072 30 10 IEEE C=CCN1C(=O)C(NC[C@H]2COc3ccccc3O2)=C(c2ccc(OC)cc2OC)C1=O 1863753418 ADOBDEALTFWSNS-INIZCTEOSA-N 436.464 2.399 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(O)CC2)=C(N)Oc2c1c(CC)nn2C 1865224051 BKSYEYGSAQNOIE-LJQANCHMSA-N 438.528 2.225 30 10 IEEE CSCC[C@@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1cccc(C#N)c1 1867043058 CZPUWJQRONAPEE-OAHLLOKOSA-N 443.558 2.175 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C 1868741065 YPJLZZQPQIINEH-OAQYLSRUSA-N 449.573 2.150 30 10 IEEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551053 GWNUEWMVFJVORY-UHFFFAOYSA-N 432.370 2.350 30 10 IEEE N#Cc1ccc(COc2nonc2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 1872636605 XWUGRSFELSFNHB-UHFFFAOYSA-N 448.439 2.320 30 10 IEEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873592006 YPKYDZFCTOZTST-UHFFFAOYSA-N 434.544 2.316 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc[nH]1 1874335603 TVSWOSNIRDUICM-URMYYVDKSA-N 431.566 2.173 30 10 IEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2-c2ccccc2)cc(OC)c1OC 1874427595 RGUKEUCVKQZVEB-SSDVNMTOSA-N 427.486 2.431 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc(O)c1 1874434305 YPTQHPMSTGEROI-SSDVNMTOSA-N 430.534 2.043 30 10 IEEE COc1cc(/C=N/n2c(C)nnc2SCC(=O)NCc2ccco2)cc(OC)c1O 1874532359 ZXSJFRUPVFVDKD-ZVBGSRNCSA-N 431.474 2.193 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1Cl 1889590367 UDKHZOPENKHFFE-UHFFFAOYSA-N 440.009 2.069 30 10 IEEE CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C1 1890090319 MOZOEWNSISQLPR-HLAWJBBLSA-N 428.558 2.079 30 10 IEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCC#CCN(C(C)C)C(C)C)n2)c1 1890937992 RJWWMNYTQVLSAP-UHFFFAOYSA-N 440.544 2.166 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@@H](COc3cc(C#N)ccn3)C1)CS2 1891162405 OIPISZMAKFPXTI-MSOLQXFVSA-N 439.541 2.481 30 10 IEEE C#CCN(C(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2022865950 PLIYBNCVTXMTFP-NVXWUHKLSA-N 439.553 2.122 30 10 IEEE CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2073246150 PXRMUJDNXGMKFS-KRWDZBQOSA-N 434.342 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CCC([C@@H](O)Cn2cc(Br)cc(C#N)c2=O)CC1 2096030190 XVKLCGZBJVTZCU-HNNXBMFYSA-N 426.311 2.490 30 10 IEEE C[C@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211432891 DJCOZCSEMPZSJG-OAHLLOKOSA-N 446.570 2.018 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216449002 HYVLHIJFJONINR-PONJGIIJSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CS)C(=O)O 2229101981 TZVWCDUERBDLCX-STQMWFEESA-N 447.351 2.384 30 10 IEEE Cc1cnc(N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2232272241 ZXIMZLFBRDQJGR-MRXNPFEDSA-N 445.369 2.250 30 10 IEEE Cc1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247836669 GHMFMQMIIDVECD-ZDUSSCGKSA-N 437.371 2.490 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247907142 WUTAALWFHXEYTJ-KRWDZBQOSA-N 432.273 2.330 30 10 IEEE CCC(CC)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404635 NUHFDPWJHGELBL-UHFFFAOYSA-N 440.375 2.281 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@@H]2CCOC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255627184 PDUQTRJZUDGZDB-GOSISDBHSA-N 425.338 2.459 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632669 PQSHEPDOKQOSIA-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255656349 ZMSDDTFNYLGAPK-AAEUAGOBSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C2(CCOCC2)C1 2255856913 BTFWAVDLVPMEHW-MRXNPFEDSA-N 434.342 2.154 30 10 IEEE CC1(C)OB(c2cccc(CS(=O)(=O)N(Cc3ccccc3)C3CNC3)c2)OC1(C)C 2255943878 XQZZRZHAGKFYPQ-UHFFFAOYSA-N 442.390 2.290 30 10 IEEE Cc1nc(NC(=O)C[C@H]2CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256627250 TVIQCYYNCKQLOK-CQSZACIVSA-N 432.330 2.422 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)COC1 2256676538 PWQIQBVDHZCGEI-UHFFFAOYSA-N 436.289 2.357 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267093841 YIQFFOCPWPJNSC-HUUCEWRRSA-N 446.357 2.038 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126249 ZOOUENZTNCONKU-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2267133700 GAZQLGNDXCTMEJ-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nn(C)c(B3OC(C)(C)C(C)(C)O3)c2C)C1 2267493858 NXIVWLMOGYIOLG-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517009 MIZRZDDVFKWTIR-GDBMZVCRSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267530996 JLTOVEJQZQLWCX-CQSZACIVSA-N 448.373 2.474 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267586743 OAUGMJWJBNPMAN-GXTWGEPZSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267760047 PGISMSIFUBSCNJ-ZDUSSCGKSA-N 448.325 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268634744 KBPUBSIWLNMWGK-HNNXBMFYSA-N 447.341 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2270884872 NYARJQJPCCYMRA-BZUAXINKSA-N 444.341 2.360 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2337199762 YXTSCHCYOALKJE-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE C#CCOC[C@@H](O)CN(Cc1nc2sc(C(=O)OCC=C)c(C)c2c(=O)[nH]1)CC(C)C 36207340 BLPLSZWJELRWGM-INIZCTEOSA-N 447.557 2.105 30 10 IEEE Cc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59888083 LEXYCGHHSNIBDF-CIAFOILYSA-N 442.549 2.486 30 10 IEEE COCC/N=C1\Nc2ccccc2CN[C@]12CCN(S(=O)(=O)Cc1ccccc1)C2 96309870 UZYUENHRHKCQIA-QFIPXVFZSA-N 428.558 2.221 30 10 IEEE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ncccc2C#N)CC1 106125021 KJICKTAZQPFKLB-QFIPXVFZSA-N 444.539 2.467 30 10 IEEE CCn1ncc(C#N)c1NS(=O)(=O)c1cc(Br)ccc1OCCOC 438247973 RTQCCPKNEBHLMW-UHFFFAOYSA-N 429.296 2.363 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CC3)c2=O)cc1C 478854984 LLSUSTZTHSOGLU-QGZVFWFLSA-N 438.549 2.369 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@H](COc4ccccc4)C3)C2=O)cc1 487175206 RUJYVYCHPRHTLT-FCHUYYIVSA-N 434.496 2.149 30 10 IEEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N1CCSC[C@@H]1C#N 501493204 UTLKZOOGIUACDX-ZDUSSCGKSA-N 435.365 2.494 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)cc1 505133586 CRMGDHQKFZFPLJ-UHFFFAOYSA-N 430.464 2.200 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2F)CC1 508896039 QMLSPIPVKBKXAB-UHFFFAOYSA-N 435.507 2.350 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[C@H]1c1cccnc1 510822057 RMETVPDHJPDJCU-NFBKMPQASA-N 440.507 2.370 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCSC[C@H]1CCO 511293045 YMZOPHQEJHFHMM-CYBMUJFWSA-N 429.336 2.425 30 10 IEEE CN(C)c1nc(O)cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 545205638 DHSOIWVYUNGHJS-INIZCTEOSA-N 445.321 2.033 30 10 IEEE COc1cc(OC)cc([C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)c2nccn2C)c1 549110881 BQERPHNDAYANDQ-OAQYLSRUSA-N 440.525 2.462 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 549285042 CJZFYUZEUFIOEZ-YLJYHZDGSA-N 445.589 2.082 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 549292444 RRSHVXAGYFRMKX-UHFFFAOYSA-N 438.576 2.220 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4cnccn4)CC3)n2C[C@H]2CCCO2)cc1 555380427 FTCUWPXFRPFSLZ-HXUWFJFHSA-N 446.515 2.024 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 572868253 ZOTLGQNYKIGMPP-OAQYLSRUSA-N 426.542 2.479 30 10 IEEE Cc1nsc(N2CCN(CC(=O)N3CCN([C@H](C)c4ccccc4)CC3)CC2)c1C#N 580840024 SPBBGBFDUNFHPD-LJQANCHMSA-N 438.601 2.351 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 603592490 XFTHFFUNCVLDFN-GOSISDBHSA-N 437.525 2.288 30 10 IEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 619740921 IQRYJPIBHSFILI-AVRDEDQJSA-N 433.560 2.382 30 10 IEEE N#C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 733254486 XLWSOMKDSUAPRX-OAHLLOKOSA-N 447.314 2.259 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC(F)(F)F)cc3)c2=O)cn1 735068036 COEWWUZPVHRFHG-UHFFFAOYSA-N 445.426 2.431 30 10 IEEE CCOC(=O)[C@@H]1CN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 746675306 SIWGHFUBUJIUJK-IBGZPJMESA-N 428.489 2.210 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 751822391 CHAUVXHFZCSYND-UHFFFAOYSA-N 430.599 2.097 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H]2COc3ccccc3O2)cc1C#N 752410902 IIEKFPUQBICXQD-INIZCTEOSA-N 438.440 2.411 30 10 IEEE C#CC[C@H](NC(=O)[C@H](COC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757324984 FSDQHZDNWNFNEO-SFTDATJTSA-N 436.464 2.133 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sccc2Br)c1=O 764994601 MPBDGJHRHXFOED-UHFFFAOYSA-N 433.352 2.239 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)c1 765545866 YEJPVZHDJPGFHW-GOSISDBHSA-N 440.529 2.179 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1S(=O)(=O)NCC 777859445 WWXXNHWIYDGZAH-UHFFFAOYSA-N 426.472 2.389 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1 790105918 HRKZWOKZAYXJNE-SJLPKXTDSA-N 434.537 2.252 30 10 IEEE Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCCC1 790380532 WJJRBTSCKAZDQX-INIZCTEOSA-N 437.566 2.428 30 10 IEEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C)c2=O)cn1 793466934 COAWLCVMULXOEK-UHFFFAOYSA-N 448.548 2.421 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)o1 796278911 HTBGBHRENVIMOS-LBPRGKRZSA-N 438.440 2.217 30 10 IEEE COc1cc(OC)cc(C2(F)CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 802181253 AKHJKOZLGKVEOZ-QZQOTICOSA-N 431.464 2.408 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)n1 802354193 JDPZDYWJDPZZNC-HXUWFJFHSA-N 439.516 2.185 30 10 IEEE C#CCC(CC#C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 803698520 AKEQHVIEPRQLEW-UHFFFAOYSA-N 443.525 2.082 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 809886318 XHXCZLIXFLEWQZ-ZWKOTPCHSA-N 432.569 2.447 30 10 IEEE COc1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)ccc1C#N 810082289 JFOIQUWBRFDWTJ-UHFFFAOYSA-N 434.417 2.339 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c(=O)c1C#N 816410016 KRTFEAPIRDZOSU-UHFFFAOYSA-N 447.289 2.315 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)s1 1136289790 RMYAVZBSEMXMSL-UHFFFAOYSA-N 445.570 2.269 30 10 IEEE Cn1ccnc1C(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1nccn1C 1147853916 RPMNODOFXSTUSS-UHFFFAOYSA-N 426.521 2.010 30 10 IEEE C#CCN(CC(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC(C)(C)C 1160316146 WLUVSRFGLPIQSP-JOCHJYFZSA-N 437.537 2.095 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 1163431915 NMZJKMSKYMQBMC-PMACEKPBSA-N 441.553 2.100 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCCc1ccc(C#N)cc1 1166518444 NODRYINSRSTZEG-UHFFFAOYSA-N 428.558 2.069 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCc2ccnc(O)c21 1168612049 CEAXFGXJDQCZKP-UHFFFAOYSA-N 428.514 2.366 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C3)CC1 1176864344 IJAWLCSOYBULCO-MTQWCTHYSA-N 433.597 2.056 30 10 IEEE Cn1c(=O)[nH]c(N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c(C#N)c1=O 1187784116 XTWDRLCATQCROG-HNNXBMFYSA-N 431.537 2.199 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1208472397 AOSHEKOTSVOBTC-UHFFFAOYSA-N 441.504 2.495 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCS(=O)(=O)C1 1286418291 GLAHYCCWAUZAOA-SFHVURJKSA-N 448.552 2.233 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1286431205 MWFNUYYCESRXHO-OAHLLOKOSA-N 433.438 2.166 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286798256 FBLSCMLOORWCBS-HKUYNNGSSA-N 425.533 2.487 30 10 IEEE C=CCn1c(SCC(=O)N[C@@H]2COC[C@H]2O)nnc1-c1ccc(Cl)cc1Cl 1297980545 RSQGDDBYSJXDGR-ZIAGYGMSSA-N 429.329 2.406 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 1299675204 PVJIQRQYPLXFGV-IRLDBZIGSA-N 438.553 2.225 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1ccnn1 1300472471 AIKBFUDVOZAYQC-UHFFFAOYSA-N 430.310 2.371 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CCCO2)CC1 1300686179 YBHYGBOYJFOIPC-HXUWFJFHSA-N 447.381 2.370 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1300695810 KJUPENWEHHEQBK-UHFFFAOYSA-N 435.498 2.303 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C)C1 1301518539 ITKOTQIMDKCFOJ-HZPDHXFCSA-N 431.562 2.495 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301594502 FLZQDWHOCQBCRZ-HNNXBMFYSA-N 445.549 2.122 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301602338 YNVDTUPRSRKGCZ-UHFFFAOYSA-N 446.602 2.208 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1302586508 SRYVYUUDCBSWKB-UHFFFAOYSA-N 439.232 2.296 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1305763511 BIHFUOBIUSHEHK-UHFFFAOYSA-N 449.573 2.317 30 10 IEEE CCC1(CC)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1305895471 SIPJWHSLLJFVOJ-OSCRUYLVSA-N 428.537 2.325 30 10 IEEE Cn1ccn2c(CN3C[C@@H]4[C@@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nnc2c1=O 1308125313 UOGMYQQHWUFWTL-HTQZYQBOSA-N 431.287 2.031 30 10 IEEE C#C[C@@H]1COCCN1C(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1312119691 ZVVSSXVGHSGKSD-WIYYLYMNSA-N 428.510 2.232 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313665952 FORHDFXOWLIHMM-DNVCBOLYSA-N 425.537 2.395 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CCCn1cnnn1 1314783012 VIPSCZDJXMETNN-UHFFFAOYSA-N 443.462 2.287 30 10 IEEE COCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1315973331 FMJHLIICMMIJQW-OFNKIYASSA-N 440.548 2.115 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 1358912986 CMQXDYZRXDSDMB-LJQANCHMSA-N 449.577 2.423 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(NC(C)=O)c1 1358970032 CVCQIBBOWLRIJT-DEOSSOPVSA-N 435.528 2.398 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@H]1C 1359077500 DEEVGZZGTMEKBJ-TUAOUCFPSA-N 438.417 2.127 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1359236004 VZJGCNUZIRQKPS-UHFFFAOYSA-N 427.530 2.055 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(Cl)nc2C1 1359291135 FUENNDFHVAUGRL-UHFFFAOYSA-N 445.955 2.110 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)n2)C1 1359321343 FFYOIVFJJKIIRB-ICSRJNTNSA-N 445.589 2.298 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1360287212 FHHXXRJXDPGHPX-UHFFFAOYSA-N 436.438 2.235 30 10 IEEE C=CCSCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1435850790 GIANINGPKKSORM-HXUWFJFHSA-N 430.567 2.370 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1456342603 CYRMNAPKZUQTPR-ZHRRBRCNSA-N 432.496 2.012 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1464292754 AAKQQQJLPDWBQJ-UHFFFAOYSA-N 429.361 2.463 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccccc2OC)CC1 1470406065 HUDWWUFDSCZGPI-GOSISDBHSA-N 429.517 2.286 30 10 IEEE N#CC1(C[C@H](O)CN2CCN(Cc3ccc(Br)cc3)C(=O)C2)CCOCC1 1473706881 QEULINIRNJHNPB-SFHVURJKSA-N 436.350 2.165 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)s1 1498551763 FIRRLZDVLXVTQV-CYBMUJFWSA-N 445.574 2.407 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1500720233 DXFVTQAEVVIYPZ-WXVFVKJXSA-N 441.580 2.240 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C 1502251196 HOAVTCXEHCEMAN-JENIJYKNSA-N 442.589 2.170 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(OC)CCOC1 1503095159 IEBGINLHQLOJOK-QHCPKHFHSA-N 440.548 2.208 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(C2CC2)C1 1503603488 PIXJTLFGFFTNEM-GOSISDBHSA-N 442.589 2.172 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1504283521 ZUOWEJNSUKNVDA-KNQAVFIVSA-N 427.505 2.104 30 10 IEEE COC[C@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504593411 KIMNDORXUZHOOC-SJLPKXTDSA-N 444.511 2.123 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1507719682 DWFBCYIXLHNPNP-KRWDZBQOSA-N 432.431 2.033 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)c2ncc(C)s2)CC1 1507740287 ZXHANULQXODESN-MAUKXSAKSA-N 442.589 2.316 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)C(C)C 1507760646 CIFLGMWVAGVXOL-DHIUTWEWSA-N 431.581 2.473 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507839231 PXAUTIMYPWQMCR-SFHVURJKSA-N 441.492 2.002 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1508013547 PAGWNOBNHUIAKS-REHUZNOOSA-N 442.608 2.340 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1508081743 OASLSTJUNKPJQI-HXUWFJFHSA-N 433.560 2.297 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1Cc2ccccc2[C@@H]1C 1508131663 OOEAHMLUAIPLRR-INIZCTEOSA-N 429.546 2.196 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C/C(C)=C\c1ccccc1 1508141567 VYVCRKZPKXSAKK-AOBSDOCKSA-N 443.573 2.370 30 10 IEEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1518990386 FXAFQNXGXZUPKW-UHFFFAOYSA-N 429.546 2.114 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(n1)CCCC2 1519329678 PTJKNRGXTMBLTP-QFBILLFUSA-N 426.521 2.053 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C2)nc1 1527491124 NNJNMMWAWXEFNW-NVXWUHKLSA-N 442.269 2.477 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nn(C)cc1I 1532945327 JBEKZUBCYCUGIJ-UHFFFAOYSA-N 425.230 2.185 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1539030723 TUIBTOOMLJJKPT-VQTJNVASSA-N 435.576 2.213 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1539220744 VBIZFTJBGLNPEB-PMACEKPBSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539257260 QECYBWPMLBCXLT-IEBWSBKVSA-N 437.548 2.397 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)NC 1539345144 QGGGWRRLVGIREC-UHFFFAOYSA-N 440.573 2.361 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1539369894 PIMAMHOPWIOFEF-KRWDZBQOSA-N 431.562 2.260 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539489835 OVLRNFBLCZMRGI-QGZVFWFLSA-N 427.578 2.128 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCOCCN(C)C 1539556889 JNFRKTWHLJTMNT-NFBKMPQASA-N 425.533 2.361 30 10 IEEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1539573773 DDSVSLJUXJMCQB-AWEZNQCLSA-N 447.337 2.367 30 10 IEEE Cc1nsc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1C#N 1539658517 MPEUBZLAMNWPGA-UHFFFAOYSA-N 432.531 2.032 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539729889 MFNZZDXILFUHFM-SJORKVTESA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CCC(N)=O)CC1 1540868309 ZXAKTDFLALKHCJ-UHFFFAOYSA-N 430.940 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 1540891431 UIVHYQZUIJNARQ-WOJBJXKFSA-N 442.539 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccccc2F)C1 1540893008 VFPSVZPBFNKREH-DLBZAZTESA-N 429.496 2.132 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540914861 DJVZGIMFRQURCD-SFHVURJKSA-N 428.562 2.181 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cccc(CN2CCC(C)CC2)c1)c1cc[nH]n1 1542694612 GUGRCUUQVBBYQR-UHFFFAOYSA-N 441.532 2.242 30 10 IEEE C[C@H]1CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1545091237 CIVJGNOUBOUJFR-KURKYZTESA-N 440.552 2.163 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 1546071540 GRVLZHZFLHJOLN-RTBURBONSA-N 436.574 2.429 30 10 IEEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1548246934 WYSZGBVBLBTQFM-UHFFFAOYSA-N 437.548 2.025 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1554607153 BUOLUOPREYVFOK-QFBILLFUSA-N 426.521 2.068 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(OC)CCOC1 1555545338 CXBBHKMSPXMBLJ-REWPJTCUSA-N 441.532 2.112 30 10 IEEE CC(C)(C)C#CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1557021232 YVAPPAKSVUBLJR-MSOLQXFVSA-N 432.565 2.430 30 10 IEEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC(Nc3ccccc3C#N)CC2)c1 1560035792 HNSMYQVLJXDVAL-UHFFFAOYSA-N 434.479 2.497 30 10 IEEE COC(=O)C[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1566137794 PBRFNUYEQZVNNG-YLJYHZDGSA-N 443.500 2.183 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2nn(-c3ccc(F)cc3F)cc2O)C1 1567387695 GWUXSANVWMXTCC-SMDDNHRTSA-N 433.415 2.345 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 1583812337 WHRIBNHWTWZDCQ-IBGZPJMESA-N 433.443 2.223 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1587807316 AZHPJRYEXFHORE-QGZVFWFLSA-N 429.496 2.266 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)N(C)C 1587946203 WZPIEISKIKCPSM-IBGZPJMESA-N 433.545 2.355 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1587979111 HVYQEXLPOBACRE-UHFFFAOYSA-N 433.516 2.312 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](OC)C(F)(F)F 1588088880 BJRVNKUFOYEMRX-APWZRJJASA-N 428.455 2.359 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OC)c(OC)c2)CC1 1588800631 LNDDNLBPJCVPAZ-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOc2ccc3c(c2)OCO3)CC1 1588884745 MIMJJVCGOUKWLW-UHFFFAOYSA-N 439.516 2.175 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1588993510 JXNWKTKUDINOIM-UHFFFAOYSA-N 439.994 2.047 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1595191049 MARUNVQSIQLBMU-UHFFFAOYSA-N 437.577 2.148 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1ccnc1 1595267667 YZCQNOGUBMFOAI-UHFFFAOYSA-N 435.532 2.387 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC[C@H]1C 1595283180 NLQJCEOCLKEIQX-QGZVFWFLSA-N 429.521 2.033 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1595529928 NACZLLNUGNMJDL-INIZCTEOSA-N 439.545 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1595798819 UDMHRCWXKRXDIJ-IBGZPJMESA-N 449.621 2.279 30 10 IEEE C=CCCC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1596243569 HZAASYODEOZLKA-NHYWBVRUSA-N 437.290 2.448 30 10 IEEE CC(C)(O)Cn1c(COc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1597846845 GOZPFMMJIAPRKF-UHFFFAOYSA-N 438.463 2.302 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(c1ccccc1)c1ccccc1 1611693417 VFGOMWRZECIVNF-UHFFFAOYSA-N 448.548 2.221 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)CC1 1611773310 IIRPIDDIZFVVJY-UHFFFAOYSA-N 434.591 2.096 30 10 IEEE CC1=C(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1611833326 XSYOJWRRRIYZAU-UHFFFAOYSA-N 441.557 2.303 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1615090314 BWIABVBEWFKRPY-RLLQIKCJSA-N 440.548 2.224 30 10 IEEE CC(C)(C)OC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 1617271716 HWYOJGZCUSBBRT-SFHVURJKSA-N 447.488 2.063 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC1CCCCC1 1620099521 FOXFSGAKHSPRQH-XWFZLUIHSA-N 448.543 2.283 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)OC)oc2Br)cc1 1622151584 CDOWKVMVPWFGIP-UHFFFAOYSA-N 428.260 2.319 30 10 IEEE COc1cc(N)c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1S(C)(=O)=O 1627048422 UKFADIKHIWXPKU-UHFFFAOYSA-N 447.488 2.375 30 10 IEEE C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1631874094 NHEAUIAODMDACW-RYUDHWBXSA-N 433.324 2.142 30 10 IEEE C#CC[C@]1(C(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1633708195 PGWNHFOJARWIFE-AUSIDOKSSA-N 430.549 2.485 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1637757672 NJFHSPUXLKPCKI-FQEVSTJZSA-N 429.542 2.485 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](C)N(CCO)C[C@@H]2C)cc1 1643486368 KQPMDPYPMCDJSB-SJORKVTESA-N 439.560 2.300 30 10 IEEE C=CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1645067060 QUWUNAHRYCSHBF-KRWDZBQOSA-N 437.537 2.107 30 10 IEEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1647997950 HILFVJXJXIIMPU-HXUWFJFHSA-N 442.497 2.102 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](c3nccc(O)n3)CC2)ccc1F 1648505370 XVTYLIPHGQSREG-CTYIDZIISA-N 434.493 2.242 30 10 IEEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1648613020 OTFJOKSQQLCXJV-BJLXPSRBSA-N 443.614 2.387 30 10 IEEE C#CCN1CCN(C(=O)CN2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)CC1 1659917887 JCYINVHAGGLRTB-UHFFFAOYSA-N 428.533 2.005 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F 1661512676 FNIRSISJULZZCG-LLVKDONJSA-N 431.841 2.050 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 1681802071 BMGKMRKZIVXSSA-SHTZXODSSA-N 445.372 2.034 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1689853794 YLHAAZZIYUSEJM-ZFWWWQNUSA-N 447.565 2.253 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@H]1CCCO1 1689964289 KHUTUGSIVFWFHJ-HXUWFJFHSA-N 439.564 2.107 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689998719 UQYJPKJCFPFEPS-NVXWUHKLSA-N 449.602 2.018 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690085783 FXSQNUWVNCKUIE-SFHVURJKSA-N 445.589 2.161 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690124701 RKEJKGKWZIGOQZ-IBGZPJMESA-N 440.567 2.105 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1690344302 PFRJPIFZMHJNEG-KRWDZBQOSA-N 425.961 2.294 30 10 IEEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1690532749 UUYBFMDKLGFMDM-DQRAZIAOSA-N 431.500 2.430 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)C1CC1 1690536009 NCRGUWSACFOTHH-QGZVFWFLSA-N 439.564 2.240 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@H](C)C1 1691001669 MBJGXBGPCXSLBP-IAGOWNOFSA-N 443.552 2.103 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1692663029 KBPBVLGUTUGPEA-HZPDHXFCSA-N 434.541 2.240 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1705503344 VAQWTIBJUBDFPI-QRWLVFNGSA-N 448.365 2.144 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1705538371 MFCJZXHUZXOVIW-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705539802 CORREVYLGQMGJT-TZIWHRDSSA-N 442.608 2.011 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705571158 WJRUHCJMEZWHSA-YWZLYKJASA-N 436.965 2.028 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCn1c(O)nc2ccccc21 1705627202 YPZKVRGKTWGRCI-UHFFFAOYSA-N 431.500 2.490 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(C)(F)F)CC1 1705638793 XAYGGRPTITVAAG-UHFFFAOYSA-N 427.459 2.394 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H]1C 1705895511 IZIVMNCGMYFRJY-ZBFHGGJFSA-N 445.593 2.084 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1705901939 ADRPECDHHKXTQF-CYBMUJFWSA-N 435.887 2.429 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCOCCC(C)C)CC2)c1C#N 1707807710 KEXFDORGDYZUEW-UHFFFAOYSA-N 426.569 2.458 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1708719025 FIWQKUKNAPIASK-ROUUACIJSA-N 445.612 2.436 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)CC(F)(F)F 1711207792 BQOGCAVFGVZRCY-LJQANCHMSA-N 435.454 2.013 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1c(O)nc2ccccc21 1722299303 OCLGJXHERQZJEJ-OAHLLOKOSA-N 449.540 2.483 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCN1CCc2sccc2C1 1722425835 NZNFVOKFWSSWNS-UHFFFAOYSA-N 436.585 2.470 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722464278 ZXSYTIGZCDBASH-UTKZUKDTSA-N 436.578 2.075 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722592425 YEYRYCLUTDVLOD-ROUUACIJSA-N 443.596 2.414 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C)C1CC1 1722645996 BUSINXLNCVMEFC-INIZCTEOSA-N 444.605 2.474 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1722729186 XUJYEBURWKHYLQ-SXLOBPIMSA-N 446.573 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCOC2(CCCCCC2)C1 1722731201 GPTOFUCDLKIEJK-UHFFFAOYSA-N 426.583 2.345 30 10 IEEE C[C@@H]1CCC[C@](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)(N(C)C)C1 1726516533 BVGPEQVLGHVXBK-YHYVQYDKSA-N 431.560 2.353 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1740586551 FHGSOMAMWUGTLP-IBGZPJMESA-N 425.533 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOCc1ccc(OC)cc1 1740638289 JBKKXWSXFYUVEF-UHFFFAOYSA-N 447.495 2.304 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1740639304 ACVZGSCKEQGMEC-ZHALLVOQSA-N 438.553 2.186 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCOC1 1740678346 KGSSKKCBGICZNH-SFHVURJKSA-N 445.951 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CCCOC)CC1 1740695139 GLWOCJBRQMRKQL-UHFFFAOYSA-N 449.603 2.160 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OC)c2OC)CC1 1740697669 BVHAHONUHDFPLV-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740827515 ZTDGQBGEFVWIHJ-UHFFFAOYSA-N 438.557 2.310 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COCC)C1 1740988658 LWGDNIOKBUWJHM-SFHVURJKSA-N 429.546 2.280 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748821298 OKRAFQGFNDAHEB-FQEVSTJZSA-N 444.605 2.347 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(N3CCOCC3)cc2)nnc1C(C)(C)C 1749681728 HATHNZZSHNISQC-UHFFFAOYSA-N 426.565 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCCCCC1 1749730854 SVPLIMSICYGNQQ-UHFFFAOYSA-N 435.550 2.377 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749752499 RUOMPHRWKTZIDQ-GOSISDBHSA-N 429.594 2.203 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@@H]2C)CCOCC1 1750028855 ZGSYBOKKOAOHHJ-SFHVURJKSA-N 441.532 2.254 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1750057492 UXJRYDJNHPJWDE-HSZRJFAPSA-N 441.532 2.254 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1750387397 XXPHGTJCVLGDLA-RYUDHWBXSA-N 443.252 2.189 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCOC2CCOCC2)CCO1 1750389104 WHNQQGGNVUYDDY-OAQYLSRUSA-N 441.532 2.214 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1751299413 NRWCFGNMXWEZHD-QFIPXVFZSA-N 427.505 2.149 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760187776 GKYRZUJJUKMADU-KRWDZBQOSA-N 443.504 2.118 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1CCCO 1760224586 QAAGQAZAUNIGLD-OAQYLSRUSA-N 438.576 2.454 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1760262768 ZUGUUHMYDJNALI-QHCPKHFHSA-N 447.562 2.461 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760284051 GGQLENDJBVSHOH-CTNGQTDRSA-N 440.617 2.177 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760309742 GJPQVVWFSYARQS-AWEZNQCLSA-N 442.383 2.432 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1760437828 OZUIAYZWBASZSB-GOSISDBHSA-N 435.532 2.356 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1760493864 DCAIAZHGVCOXAT-UHFFFAOYSA-N 442.483 2.315 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760520641 VJTHZJRVOYVYSD-QGZVFWFLSA-N 442.539 2.375 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCOC)C1 1760545155 OOBHIAOTYJFBAE-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(N(C)C)CCSC2)C1 1760549449 DZHPCYKDZDLFPX-DENIHFKCSA-N 445.637 2.358 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCCC1=O 1760690877 GWZQAQMSJCCVQS-KRWDZBQOSA-N 432.532 2.445 30 10 IEEE CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1761245943 PYQUEQWBUMYQHA-UXHICEINSA-N 449.559 2.172 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCc2ccccc21 1761356350 FMVLQSZALWMADU-WAIKUNEKSA-N 431.500 2.498 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)C1 1761542730 LPPAHWAECQITHD-HXUWFJFHSA-N 432.550 2.251 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(C)(=O)=O)C1 1761542762 MJOLRFMRHZJDAW-SFHVURJKSA-N 437.957 2.063 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1C[C@@H]1C 1762292592 WGDBXGHZIGRVGR-FUHWJXTLSA-N 436.564 2.446 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@H]2CCCO2)n1 1762439892 CHVDLPQDEZUNEK-NQIIRXRSSA-N 431.516 2.167 30 10 IEEE CO[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1769648157 YKGFFHVJASYHIA-SFHVURJKSA-N 434.504 2.331 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1770335410 CWVCXNNXDQAJKM-IBGZPJMESA-N 442.589 2.174 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C[C@@H]1O 1770626470 IXFMLBPYEKVODW-ICPLQIHGSA-N 437.500 2.437 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1771292520 NERHSXHAXFNHRU-OALUTQOASA-N 440.548 2.188 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 1848666389 ACKMYQJMYOMPLV-SFHVURJKSA-N 426.492 2.179 30 10 IEEE Cc1nn(CC(=O)Nc2ccccc2N2CCC(C#N)CC2)c(C)c1S(=O)(=O)N(C)C 1850531348 NIUJTXNDYWKPOU-UHFFFAOYSA-N 444.561 2.129 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)c1C#N 1852018944 JCSJIFYURLTAFD-OAHLLOKOSA-N 437.353 2.187 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CCC(=O)N3Cc3ccc(Cl)cc3)CO2)nc1 1852697747 ZYDPHKNDMBQABL-ZWKOTPCHSA-N 426.860 2.461 30 10 IEEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)CC1=O 1854317974 SDRKKFIGFKYULY-MRXNPFEDSA-N 439.965 2.048 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@@H](CSc3cccc4cccnc34)OCC2=O)CC1=O 1854935029 LFNJKJLIFUHZTQ-SJORKVTESA-N 425.510 2.115 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CN(C(=O)CC(F)(F)F)C(=O)O2)CC1 1856350400 RUOUPHSHAQDOKE-CQSZACIVSA-N 445.419 2.259 30 10 IEEE CC(C)N1CCCC[C@@H]1C(=O)N1C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c2ccccc21 1857141986 IUWVAHTZHWVJMW-VQIMIIECSA-N 432.546 2.119 30 10 IEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1 1868921036 WKPHGYAQEBSNNQ-BMRADRMJSA-N 433.574 2.436 30 10 IEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cncc(C)c2)cc1 1870159126 HBCUNXVIDMROKP-UHFFFAOYSA-N 446.515 2.166 30 10 IEEE N#Cc1ccc(COc2cn(CCOCCO)c(CSc3ncccn3)cc2=O)cc1 1870232814 KYNJIOCXQVNMCT-UHFFFAOYSA-N 438.509 2.390 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(C(=O)OC)cc1 1874469441 FSLNIDQGGVQMRG-FYJGNVAPSA-N 433.534 2.096 30 10 IEEE COCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874469600 NKMRXJTWZLLVNT-CIAFOILYSA-N 427.486 2.491 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874471092 MYCBWMUREOLQOT-SRZZPIQSSA-N 444.473 2.259 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCCCCC3)OCC(=O)N2C(C)C)cc1 1890051093 TYYZLXIJVNDWCK-RPWUZVMVSA-N 441.572 2.368 30 10 IEEE O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1890675691 XMFSDRCZOKHEIS-UHFFFAOYSA-N 437.565 2.263 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(Br)cc1Cl 1891530424 DUKNZWZKRLSIQL-UHFFFAOYSA-N 442.726 2.273 30 10 IEEE Cc1nc(S(=O)(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c(Br)n1C 1924412739 VVINUCUUUISLGG-UHFFFAOYSA-N 434.165 2.204 30 10 IEEE CC(C)[C@H](C#N)CS(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1982315434 XHAPSQOSIUABHM-CQSZACIVSA-N 448.586 2.120 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1993678789 LRDZEJNZWWWVGH-HRCADAONSA-N 427.542 2.332 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2009841828 CZTYDGUNNHLVCF-BJKOFHAPSA-N 428.529 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NCc1occc1B1OC(C)(C)C(C)(C)O1 2039815887 JAUIRAORSMUINX-OKDNKWQNSA-N 434.342 2.349 30 10 IEEE FC(F)(F)CCCCN=C(NC[C@H]1COCCO1)N1CCN(c2ccccn2)CC1 2087917500 TZALIWVBFOWFTD-KRWDZBQOSA-N 429.487 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(N)cc2Br)[C@@H](C#N)C1 2106651247 MMGAMEXAUWBVAX-LBPRGKRZSA-N 445.339 2.165 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247928005 UTSYLDVRMOCAFM-CYBMUJFWSA-N 440.371 2.005 30 10 IEEE CC=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404055 IFALWJSDBPMBSE-GFCCVEGCSA-N 438.359 2.057 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 2255190416 TXUWIPYTGMTKKE-VYXJWHGCSA-N 449.548 2.044 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255603961 JEQRONMKXAKMCZ-ZDUSSCGKSA-N 434.346 2.227 30 10 IEEE Cc1cnc(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255612599 SXWHHQLKCFJQJU-JKSUJKDBSA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255626129 BHSMAMZMUWDGTF-UHFFFAOYSA-N 434.346 2.134 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CCC1 2255632059 HTGLRVSQXAJUMC-HNNXBMFYSA-N 434.346 2.132 30 10 IEEE Cc1nn(C)c(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255633197 XMJQLLRIDFIHPI-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C2)C1 2255712271 KXOATRKESPIMBM-UHFFFAOYSA-N 431.342 2.397 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255806764 KAPROHVSIUAANK-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255821059 DDNYMRLHDPXSAX-GJZGRUSLSA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256027467 WLAAADLPIXLJEZ-ZWKOTPCHSA-N 433.358 2.350 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256623380 DIQFEFGZALKSLA-WBMJQRKESA-N 438.305 2.338 30 10 IEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267144292 UOLZZXCCGLACSX-MRXNPFEDSA-N 448.373 2.426 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188048 GZUFULKAJHXZID-LSDHHAIUSA-N 448.373 2.093 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267188939 SUSPPKGKELPZCC-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267278789 FYEOQDWPHSYOLS-BCDXTJNWSA-N 443.353 2.318 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(Cc2ccccc2)C1 2267490760 SYZBXPSVLCDSCG-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CCCC1(NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267509366 UNGSCKLBBZKLLM-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)N[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267514586 BIFWKYFWQCMRCR-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267549918 RSUXVWQKCXUIET-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)CC1 2267563688 PNMXESVLAHRZSZ-MSOLQXFVSA-N 449.401 2.480 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1 2267599845 WLOPAMZLYZSIEV-CTNGQTDRSA-N 440.349 2.428 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268644701 MXMVTEFTBPAEMA-VKJFTORMSA-N 448.369 2.437 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2281974179 WKTJHVWQMFWHRQ-LJQANCHMSA-N 449.364 2.052 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCn3cccn3)C(=O)[C@@]12C 2297591022 UZPBFEQLSCIAHU-QHCPKHFHSA-N 437.452 2.055 30 10 IEEE CC#CCN(CC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2300543506 IEDIZDMQILEFDY-XMMPIXPASA-N 429.561 2.342 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2334270012 VDDVXZYZVAOAAZ-RCBQFDQVSA-N 447.316 2.258 30 10 IEEE Cn1nc(I)cc1[C@H](O)C(=O)C#Cc1ccc(Br)cc1 2360965070 UWBZPXPYSJJEFF-AWEZNQCLSA-N 445.054 2.441 30 10 IEEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 20527707 HDRQWUWEQRKWPE-FSJBWODESA-N 442.549 2.286 30 10 IEEE COCc1nnc(CSc2n[nH]c(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2)o1 20909904 YYTDHIUIZQUDAX-CNHKJKLMSA-N 435.466 2.098 30 10 IEEE COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C/C(N)=N/O)CC2 39932472 SPVJFGSZWVPRNM-OAQYLSRUSA-N 431.489 2.424 30 10 IEEE CC(=O)NCc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 109281964 SEMRQUTZKCDEOK-UHFFFAOYSA-N 425.470 2.466 30 10 IEEE COc1ccc(-c2nc3c(s2)[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC3)cc1 410125792 PSFBPEXMSJMAKX-RDJZCZTQSA-N 434.543 2.255 30 10 IEEE COc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c(C)c1OC 434973226 SDKCIFPIVKCOQW-ZDUSSCGKSA-N 426.477 2.425 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 437014741 AXGGEXIWRRYMDH-IAQYHMDHSA-N 425.279 2.272 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)c1 440385085 RHHPLYGRGFQJBI-LJQANCHMSA-N 440.565 2.353 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447777735 GWXJNMWMJGSWAI-UHFFFAOYSA-N 447.564 2.067 30 10 IEEE COc1ccc(F)c2[nH]c(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc12 474216740 WJUFFUSNAAAMQF-UHFFFAOYSA-N 442.472 2.334 30 10 IEEE N#CC1(CS(=O)(=O)NCc2ccc(Br)cc2N2CCOCC2)CCC1 477491924 MSEBOTASKWEFFS-UHFFFAOYSA-N 428.352 2.399 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1 480955796 HZPKREVGFSBTEM-KBXCAEBGSA-N 427.486 2.084 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)c3cc4c(s3)CCCC4)C2=O)cc1 486010399 UMTJAEWHBITWIY-SFHVURJKSA-N 436.537 2.146 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 490255435 RLVNTNCSQCHRRQ-UHFFFAOYSA-N 441.532 2.184 30 10 IEEE CC(C)CN(C(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 502838750 GGUJPVVONSMBRV-INIZCTEOSA-N 435.933 2.198 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2Cl)CC1 506607061 IRJLFVFGVUXTMD-UHFFFAOYSA-N 448.932 2.307 30 10 IEEE CCOc1ccc(C#N)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 510267211 DUJKSZKQTGKJGZ-UHFFFAOYSA-N 431.518 2.336 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCc4c(F)cccc43)CC2)cc1 520053729 WBDQBRBPBUXVPG-FQEVSTJZSA-N 428.489 2.401 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCOC2)c1=O 533085987 LPPFFLXYVAQCEL-OAHLLOKOSA-N 426.513 2.266 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3ccnc(OC(F)F)c3)n2)c(Cl)c1 551756771 OISQVNRNPPRGSR-UHFFFAOYSA-N 446.801 2.649 30 10 IEEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)C1=O 552722521 AGDFIBOAVRTHSP-HIFRSBDPSA-N 445.321 2.402 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)N(C)Cc2ccccc2)CC1 558989002 GSVLIHXATMBADH-FQEVSTJZSA-N 440.548 2.316 30 10 IEEE N#Cc1ccc(OC2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCO3)CC2)cc1 559101546 MPWGARQOULKMKW-RTWAWAEBSA-N 439.516 2.464 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1c(F)cncc1F 579509755 BZLOSHXOLACMPY-CYBMUJFWSA-N 435.456 2.009 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(c3nc(N)n[nH]3)CC2)n(-c2ccc(F)cc2)c1C 590601641 ZVDPEWUEOICRAN-UHFFFAOYSA-N 436.495 2.623 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cc1 603798307 XUARNBPDDICBOU-UHFFFAOYSA-N 445.544 2.388 30 10 IEEE C#C[C@@H](C)NC(=O)c1cc(I)cc(I)c1O 700590119 VFSFVQNTDIEBBE-ZCFIWIBFSA-N 441.006 2.353 30 10 IEEE C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 727417776 BTKDDONGLVVSPT-IBGZPJMESA-N 430.921 2.215 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1Cl 730407392 JYBJYLPVFJURKE-INIZCTEOSA-N 437.930 2.312 30 10 IEEE CC1CCN([C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc2)CC1 732448139 DSJZDMZRGGFFAD-LURZSEBBSA-N 425.533 2.285 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)ccc1F 740212532 PYRQKKCQQBDLGV-GOSISDBHSA-N 432.429 2.233 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccn(C)n2)C1=O 765546249 ZDUPTOKLMHHZJE-SFHVURJKSA-N 446.552 2.149 30 10 IEEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1 766404269 HGQYQHJUXKBXIV-GOSISDBHSA-N 440.573 2.293 30 10 IEEE COC[C@@H](CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1)OC 781104142 MJVMYKZGCNSVOQ-CVEARBPZSA-N 447.492 2.237 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)OC)c2c(F)cccc2Cl)c1 785131072 WBGFRXLSPAQIKC-QGZVFWFLSA-N 439.848 2.462 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)cc3F)c2C)nn1 786556616 IBZUBSNXGDAZCK-OAHLLOKOSA-N 440.410 2.287 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NCCCCN3CCOCC3)c2)s1 787901738 CXTCZUCOPKEABV-UHFFFAOYSA-N 426.542 2.132 30 10 IEEE CC(C)[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(F)(F)F 787962952 OBZXVQUOBNNRBO-YNNOXIHVSA-N 448.467 2.141 30 10 IEEE Cn1ncc(-c2csc(=NCCc3ccccn3)n2N=Cc2cnn3ccccc23)n1 789989016 BUOWLIXXWNSYCY-UHFFFAOYSA-N 429.513 2.413 30 10 IEEE C[C@]1(C2CC2)NC(=O)N(c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)C1=O 790352783 FVLRNMIOWWPKJH-OAQYLSRUSA-N 442.472 2.401 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 800668600 VNUHALOIFDMNJA-TWOQFEAHSA-N 429.583 2.166 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCCC[C@@H]1OC 815926418 OIRDOVVGJJTXFI-AEFFLSMTSA-N 427.457 2.115 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC(=O)c2ccc(C#N)cc2)cc1 842019245 JQILVWVNJHRAAD-UHFFFAOYSA-N 430.482 2.394 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(S(C)(=O)=O)cc2)C1=O 920825854 JXSKTWQISZLVBB-QGZVFWFLSA-N 449.529 2.497 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccco3)n2)cc1OC 1084234693 HEPLUOMULWHJQE-UHFFFAOYSA-N 430.490 2.312 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c1 1125489090 JNZMGFGPESGPMJ-VQTJNVASSA-N 426.513 2.228 30 10 IEEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1131299817 NCTLMICUNGYPQY-UHFFFAOYSA-N 445.925 2.358 30 10 IEEE C/C(=C/C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)CN1CCOCC1 1136331915 PUFKDBFDIUIWMI-TVPZZZRPSA-N 448.589 2.497 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H](c2cncn2C)N(C)C)cc1 1141966556 FUSGLUNTKCWRMA-UNJZAIIMSA-N 446.577 2.255 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 1148701286 RHVJJGCBOUHHHE-UHFFFAOYSA-N 429.542 2.042 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](CO)Cc3ccc(OC)c(O)c3)n[nH]2)c1C 1149972801 IAEIGUIUNDYHHU-KRWDZBQOSA-N 439.516 2.371 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)n[nH]2)c1C 1150240719 PSJSKVSIQWGUEH-MRXNPFEDSA-N 446.552 2.376 30 10 IEEE CCOC(=O)c1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)on1 1152133355 FQMIQFNHDYNKKN-GJGORFQUSA-N 432.477 2.254 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1165490123 UKMGPGBAGMIHSW-CTNGQTDRSA-N 427.526 2.151 30 10 IEEE COC(=O)[C@H](C)Oc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1F 1167062716 SKNPFAXTFBGVTN-ZDUSSCGKSA-N 434.445 2.191 30 10 IEEE CC(C)(CCN1CCOCC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1167523920 YBSGAROVFAYABU-FRIYVGAWSA-N 434.581 2.390 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCn2c(C(F)(F)F)nc(Br)c2C1 1176859488 GDPYMCNSJFDFIN-UHFFFAOYSA-N 433.232 2.136 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 1228754389 NTOFWWVRZHQCMQ-WIYYLYMNSA-N 446.617 2.012 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1286389691 ORHPTGHIIRLJKF-LBPRGKRZSA-N 445.492 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCOC1=O 1286463211 BPAWHYZBSMUGNZ-UHFFFAOYSA-N 434.500 2.422 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2C)CC1 1286484807 OYXBSHGMMXFNRK-UHFFFAOYSA-N 433.560 2.282 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1286516239 YVWDDNRQANDYMN-GGAORHGYSA-N 431.581 2.033 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCOCC2)CC1 1286636475 CAKUMPRVBPIJJW-SFHVURJKSA-N 425.537 2.050 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286781264 WLEPZGAWCWTVOD-LJQANCHMSA-N 436.560 2.229 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1286788370 VJWBXYDHHXGFJF-MRXNPFEDSA-N 426.477 2.161 30 10 IEEE O=C(CN1CCCCS1(=O)=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1289424221 GYQJNZZWCPTOJD-DTORHVGOSA-N 444.344 2.041 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1292083410 DVPVQBYLSGWALN-VGSWGCGISA-N 431.585 2.047 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)n1cc(Br)cn1 1296166319 GAMYOHBNAFFIMM-MBNYWOFBSA-N 426.315 2.472 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1)[C@H]1CCOC1 1298187778 KREUIJLVVPXELW-ICSRJNTNSA-N 427.505 2.149 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1300339283 LLZOTRCKSZBGIC-ROUUACIJSA-N 436.626 2.002 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1300340335 XKJZKCNMJQRUDO-OTWHNJEPSA-N 437.610 2.335 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1300353384 JMROXCRFFIHNLX-OALUTQOASA-N 426.565 2.455 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCS(=O)(=O)C1 1300475492 LRYXGDVFXXLHHJ-KRWDZBQOSA-N 432.546 2.150 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCC[C@H]1OC 1300664922 VXYJBEMUXAGOCA-QFBILLFUSA-N 436.516 2.495 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(C)C)C(=O)C1 1300830336 FNEOTHIPYFUGEE-OAHLLOKOSA-N 444.374 2.215 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1300996999 MLHLEFBNDXWRDX-UHFFFAOYSA-N 427.549 2.333 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2OC)CC1 1301129758 AAYAKBAVIBUVGL-UHFFFAOYSA-N 427.553 2.156 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301197320 IAUVUJMMWGLDHK-KSZLIROESA-N 426.583 2.372 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1301221201 XSINRZPOTFXATD-UHFFFAOYSA-N 435.488 2.091 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1301481537 MQPDXFWCEFXKEH-SFHVURJKSA-N 438.532 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1301585862 CNLOCPHUAIMNMR-NRFANRHFSA-N 436.553 2.314 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OC 1303687273 YFPBYBUEBBOFAE-QGZVFWFLSA-N 445.520 2.424 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)C[C@@H](O)CCO4)C2)C1 1303971277 QBVWXYGRXDNQMK-RKQJOMJXSA-N 433.549 2.306 30 10 IEEE O=C(NCc1nnnn1CC1CC1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1312563841 DRBOLBLLCRLEQX-IUCAKERBSA-N 448.318 2.396 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1313954626 SMHQHJFKWMWGJD-OAQYLSRUSA-N 429.613 2.330 30 10 IEEE CN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1314850647 LNAGCLULXLQKRV-SJORKVTESA-N 434.541 2.158 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1315866163 YXSAMDBCEVECFI-QFIPXVFZSA-N 436.560 2.446 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CCCC1 1316336006 IFTAUQFYEHDAMX-UHFFFAOYSA-N 429.550 2.223 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)Cc2ccccc2C1 1358870359 LMFSJXRKQLFBHM-SFHVURJKSA-N 443.555 2.483 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358961732 DNCXWDJRQNUULU-XWSJACJDSA-N 438.594 2.208 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCOC[C@H]1C 1358973935 KZUKQDFWUQVNJY-LJQANCHMSA-N 437.544 2.146 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(CC)cc1 1359024236 IRACCJJHQUCYIP-FQEVSTJZSA-N 430.574 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCC)CC1 1359041857 KVPNZBRODCFEDI-DEOSSOPVSA-N 434.544 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1359045453 HXCLEGMBQHYWCN-UHFFFAOYSA-N 447.486 2.465 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359051356 UIKPLCBYCUKGSG-LJQANCHMSA-N 441.601 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1OC 1359074624 LCAQTAPKRHZBAP-BTCOZLQPSA-N 442.564 2.347 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1359203653 SMCDDXYHARBHJZ-KRWDZBQOSA-N 448.568 2.397 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCC1 1359277212 FRRCYDORGYBFQB-QGZVFWFLSA-N 434.562 2.313 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCS(C)(=O)=O 1359287280 VMEPBFBBWCKOAB-UHFFFAOYSA-N 441.598 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359294264 PBPFQPLDIUKIGR-JOCHJYFZSA-N 444.967 2.202 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCOCC1 1359470561 AHSNAWYDDLLUQQ-LJQANCHMSA-N 434.548 2.449 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1359642885 HKJJMIPRZWFDEA-LJQANCHMSA-N 426.521 2.116 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1360193030 NELPMRZUUMGFMW-DEOSSOPVSA-N 447.543 2.060 30 10 IEEE COc1cc(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)ccc1C#N 1440900299 OGIWNJZTXSMICV-LJQANCHMSA-N 425.485 2.387 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C#N)c(Br)cn1 1458454491 LXZRBFPQRNBEEP-UHFFFAOYSA-N 440.279 2.039 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2cccc(OCC#N)c2)c(F)c1 1463077854 FSMNOOKSTSPDNT-UHFFFAOYSA-N 441.506 2.358 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C(=O)OC 1464536589 SPISPWWFVCWMGP-OAHLLOKOSA-N 432.564 2.160 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1 1465258872 DAKUIEDFGULHOG-GOSISDBHSA-N 434.562 2.262 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)cc1 1479036260 HSZMCRDGUOBINI-UHFFFAOYSA-N 432.477 2.098 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1C 1492249806 DGHGODIPZWJRNR-FCHUYYIVSA-N 439.495 2.068 30 10 IEEE CCOc1ccccc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1502891657 AAIOHDNNSCRCOH-GOSISDBHSA-N 447.499 2.296 30 10 IEEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)CC(F)(F)F 1503613962 SYIUWUICFSAAMX-INIZCTEOSA-N 438.454 2.448 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1507515968 AELAIIPLIWFLID-BTYIYWSLSA-N 443.939 2.327 30 10 IEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1507618917 DPNDCIWZCGVKOI-MRXNPFEDSA-N 449.602 2.072 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCN2CCCC2)cc1 1507652158 DSZIRYYZHKKPAZ-JOCHJYFZSA-N 433.556 2.378 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1507676160 KZMAIQPYCBAYBX-XUVXKRRUSA-N 446.617 2.484 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2nccs2)n1 1507717234 SDPKPWGWHZIAHC-UHFFFAOYSA-N 436.545 2.271 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(F)ccc2C1 1508073062 VAKQQALCIBCIPA-UHFFFAOYSA-N 428.512 2.201 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C)cc1OC 1513917195 IDYFQSJZGLKQKI-UHFFFAOYSA-N 434.548 2.446 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCO1 1514179419 HEFBXMUBAALYTG-AVRDEDQJSA-N 427.505 2.149 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1519227222 DACZTIIGQVCJCY-UHFFFAOYSA-N 442.474 2.225 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1521062402 CJFTUNKCSQOBFU-OXJNMPFZSA-N 435.454 2.138 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[C@H]43)n2CC(=O)NCC(F)(F)F)cc1 1521101422 BUOCLCHNXNNEST-GOEBONIOSA-N 434.422 2.396 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1)C(N)=O 1528558010 CIKMUNPIFWPICD-CQSZACIVSA-N 431.587 2.114 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1534101700 WAFVENUMLKNJAH-PBHICJAKSA-N 449.898 2.479 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc4c(c3)SCC(=O)N4)C2=O)cc1 1535563858 IXGFHXVYVADPBE-MRXNPFEDSA-N 435.465 2.446 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1539025178 FXLBIHYGXBXUJE-QGZVFWFLSA-N 435.507 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539025735 MBIYQSUTVRJNHB-QUCCMNQESA-N 448.575 2.266 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539215325 ACUXFFDOLCGSBB-IEBWSBKVSA-N 436.541 2.166 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1539220274 QZZZIOIXAQTTPZ-GOSISDBHSA-N 436.965 2.186 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccccc2)CC1 1539475367 DAYSUEYVZNQFMR-RUZDIDTESA-N 444.539 2.214 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539998435 IMLGRVADTNCPFS-NRSPTQNISA-N 430.597 2.127 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CCCO1 1540195833 JEWFJVKWASXYBM-NRFANRHFSA-N 448.593 2.446 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC=CC1 1540728339 CVRNRGOACSAUJA-UHFFFAOYSA-N 445.541 2.069 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1540870386 MASLUTOBNUGFGR-UHFFFAOYSA-N 428.497 2.184 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1540897885 UXQGXNUBKQEZPN-INIZCTEOSA-N 449.552 2.385 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1542987633 CKQYXZIYCZTUSJ-UHFFFAOYSA-N 435.532 2.345 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccc(OC)n2)CC1 1544772852 OKRUXQNQCJGLCO-CQSZACIVSA-N 425.917 2.170 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cccs2)CCOC1 1547883018 CMSAYPXNZBKQAF-OAQYLSRUSA-N 444.561 2.162 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1548000881 HVVUMVHHKSADGL-URZJWIJPSA-N 445.495 2.238 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1=O 1554353844 JCWNLZJWHSSQRQ-DNVCBOLYSA-N 434.422 2.063 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1554567799 CVCVNTAJXYXXMX-HOCLYGCPSA-N 446.533 2.003 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCn2cc(Cl)cn2)CCO1 1555994302 HFOWUCGMCRWJBU-KRWDZBQOSA-N 431.859 2.275 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 1557973564 YNIMIIRPLLHEFJ-UXLLHSPISA-N 449.573 2.376 30 10 IEEE N#CCCN1CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1557981638 SESIKBMMVVLXII-UHFFFAOYSA-N 444.469 2.034 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)NCc1c(Br)cncc1Br 1561583325 GEEQWSNOKNXBGV-SECBINFHSA-N 440.161 2.423 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C(=O)OC 1561929539 YSEHTTPPPRLLJV-CQSZACIVSA-N 434.308 2.412 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1565298290 DWSHFUBVIUKOAU-SCZZXKLOSA-N 448.332 2.309 30 10 IEEE C#CC[C@H](COC)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1586385489 GKTUVCPCPNMYPH-QGZVFWFLSA-N 434.492 2.137 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1N1CCOCC1 1587663273 WEPJVSUTICGFTH-LJQANCHMSA-N 436.560 2.052 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCOC[C@@H]1OC 1588093164 DGEUCIXXFRVNOQ-KNQAVFIVSA-N 430.512 2.460 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCCCC1 1588124430 LNNGMPVZVBKWFA-UHFFFAOYSA-N 443.555 2.141 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2CC2(C)COC2)n1 1588724214 VNARITWKJMFCGE-UHFFFAOYSA-N 445.527 2.336 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)C1 1589008512 VUCYGLJONBAZDC-UHFFFAOYSA-N 440.392 2.414 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(C)=O)C1 1589577519 BXQMPONLMDMGPD-SXYSDOLCSA-N 447.580 2.088 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1589580289 NLKQWDUXQROEHE-UHFFFAOYSA-N 442.539 2.415 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1594625984 JXYFDHMKRIAPMU-SJORKVTESA-N 439.582 2.251 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1596626412 AUJJBTGRPXXDLS-OAHLLOKOSA-N 425.391 2.174 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1 1597725819 OWGUNCPVDPORJE-GOSISDBHSA-N 439.516 2.154 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1597812083 DSJRDDIGEJROKV-HNNXBMFYSA-N 442.994 2.382 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CCN(C(=O)c2ccccc2)CC1 1611274800 ZOXHFJHPMIJZCU-UHFFFAOYSA-N 443.500 2.500 30 10 IEEE CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1618522733 HCQFEMWFHQGESX-NRFANRHFSA-N 443.577 2.172 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 1622256369 XAEMBPCAYGPZFE-LJQANCHMSA-N 429.908 2.431 30 10 IEEE C#CC[C@H]1CCN(S(=O)(=O)c2cc(C)c(I)c(C(=O)OC)c2)C1 1622561711 JUZUNEXDLNZQOI-LBPRGKRZSA-N 447.294 2.420 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3nn[nH]c3n2)c1 1625035758 CMDVSNCAVUHOAW-ULJHMMPZSA-N 427.490 2.198 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)CNc3ccc(C#N)cn3)cc2)C1 1626040133 CNRAEUASZWMRMM-INIZCTEOSA-N 427.530 2.102 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)s1 1630318510 IPIDPVWWIZRXPC-AWEZNQCLSA-N 433.555 2.401 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 1630737639 USNBFRACGXZYRV-UHFFFAOYSA-N 435.440 2.295 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)s1 1632983432 ABNYTVRYUHRYNG-HUUCEWRRSA-N 430.617 2.268 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)C1=O 1635209489 HPQGHOQVYRXKLL-SFHVURJKSA-N 441.532 2.306 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3ccc(C(=O)NCCO)cc3)C2)C1 1637723182 CEPAXXORYPZIQK-BNGSBABLSA-N 442.516 2.134 30 10 IEEE CSCC[C@@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1642539446 BJOULSZEWHETFK-ZCNNSNEGSA-N 440.569 2.478 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1643910906 QBYPUJVBBARJSP-CQSZACIVSA-N 430.448 2.014 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1647908542 PXCPKSWUSWCMMU-SJORKVTESA-N 428.489 2.147 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)C1 1665457363 OVZLHTKMMPAWIG-NHCUHLMSSA-N 433.574 2.195 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2Cl)C1 1686054720 CGNVXOILXZBMRF-APHBMKBZSA-N 435.912 2.315 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)[C@@H](C)CC 1689966183 MLZKFGRQIRTHPO-PNLZDCPESA-N 435.569 2.453 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689980055 KWPUZUCXRDQRQO-SFHVURJKSA-N 429.546 2.057 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1690034911 WKQSPGKUXWCPQP-HSZRJFAPSA-N 445.564 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)C)n1 1690046649 DYJDBQPUPVPDCX-QGZVFWFLSA-N 445.614 2.466 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CCCC1 1690051340 WKMZDANFIIZVQL-UHFFFAOYSA-N 445.614 2.454 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690124774 TZMLNWZCETZKMS-RTBURBONSA-N 446.596 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)cc2C)CC1 1690146832 YIMJNTOKCQXZJV-FQEVSTJZSA-N 439.535 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC)CC1 1690154715 XFYHUOHKYREEFZ-RTBURBONSA-N 431.581 2.199 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1690585976 BUFWYXGWBSPXNT-IERDGZPVSA-N 432.546 2.067 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](OCC=C)C1 1690661985 NIEUCGQINPDDRU-HNNXBMFYSA-N 449.353 2.130 30 10 IEEE Cc1ncsc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1692914448 ASRKYYYOKLWGFH-KDOFPFPSSA-N 437.595 2.026 30 10 IEEE CC1=CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1693335987 JCKRKUDYYDXXOU-FMQUCBEESA-N 439.545 2.317 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705493736 NGJBLSAAEFCEJI-DISONHOPSA-N 442.564 2.190 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705570028 JUAYBHPKOVYLNV-IBGZPJMESA-N 429.590 2.440 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)N1CCc2ccccc2C1 1705572004 OBUWSLIJUQLKNI-QHCPKHFHSA-N 444.583 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCc2ccccc2C1 1705600988 TUEQWVZMXIJJFB-UHFFFAOYSA-N 444.583 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nnnn1CC1CC1 1705601407 IDVJWBAVJLKGKK-UHFFFAOYSA-N 444.543 2.382 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCOC2)CC1 1705636452 KROHEWIDCNTRPG-GOSISDBHSA-N 444.967 2.192 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(=O)OC)C1 1705656996 PLCJZEGNMOKUFR-INIZCTEOSA-N 428.514 2.082 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1705678322 WBMFBGWBQLWIKX-XMMPIXPASA-N 446.511 2.400 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705735928 YMAZRSLRHJWWLG-PWRODBHTSA-N 433.597 2.312 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705740779 WNUFVCKFTPSAEM-SIKLNZKXSA-N 445.568 2.344 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1705876041 NMNIBUBZAHCWGZ-IBGZPJMESA-N 428.558 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCC[C@H](SCC)C1 1705931995 HOTCMGSIRQPSBE-INIZCTEOSA-N 436.607 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)(C)C)CC1 1705934665 TUWJBOWIGXJJPF-UHFFFAOYSA-N 432.594 2.170 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1706942307 OXJXGHAVXLYMNC-KRWDZBQOSA-N 426.546 2.197 30 10 IEEE CN(C)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1710976028 FFZFGZCWSDTFJV-UXHICEINSA-N 449.559 2.126 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1712692137 LKMJQCJUMNIDST-INIZCTEOSA-N 429.546 2.257 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCN1CCC[C@@H]1CO 1722341517 HWSSGDRVAADFQO-OAQYLSRUSA-N 438.576 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1 1722396148 DMRDRQOOGABPFN-NRFANRHFSA-N 436.579 2.497 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1722413000 GZSQHRNGOQETDP-KRWDZBQOSA-N 433.553 2.351 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCOCCOC)CC1 1722432798 FJVHBIDHYATYNV-UHFFFAOYSA-N 434.544 2.220 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC)N2CCCC2)CC1 1722449425 RTBTWLLVSWAYOH-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC)C1CC1 1722649993 IYLDZDAVNJKQFS-UHFFFAOYSA-N 435.532 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722726114 WBCDBGWERWTWAY-INIZCTEOSA-N 441.598 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1722727161 MIESQBOSQDPHBW-IBGZPJMESA-N 432.546 2.041 30 10 IEEE C[C@@H](OCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1724008327 SRFUALSNUMKWTO-QUCCMNQESA-N 438.532 2.411 30 10 IEEE Cc1n[nH]cc1CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC#N 1724100851 BWHRWAGZRLCDRJ-HNNXBMFYSA-N 431.508 2.324 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1728065582 HQYWOQWMSVQCKH-UHFFFAOYSA-N 426.521 2.260 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730481674 RDZHBXKPRQJQCQ-CRAIPNDOSA-N 429.456 2.014 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1730483343 FFXFTEZNIULNOQ-HNNXBMFYSA-N 434.426 2.294 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C1CCCCC1)N(C)C 1730955903 NSGUXALBRUSPBG-WOZUAGRISA-N 446.596 2.241 30 10 IEEE CON(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1730971654 CRCNOEJZWMRMTM-ZCXUNETKSA-N 432.868 2.035 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(S(C)(=O)=O)cc1 1740558369 SKAPWDOYEZOHFN-INIZCTEOSA-N 426.546 2.049 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628472 YCXYEUXTOAAIOD-RTBURBONSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1nc2cc(OC)ccc2n1C 1740641566 CNDOVHCZTMEFLY-UHFFFAOYSA-N 425.496 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1C 1740655906 GGJSFSGAKJXXAZ-LJQANCHMSA-N 428.533 2.333 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCOC2)CC1 1740692109 FEGCONSNHHNVMZ-INIZCTEOSA-N 447.381 2.228 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1740716237 VGFUHCCGPAQGEK-UHFFFAOYSA-N 443.602 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)C(=O)NC 1740757359 VIBJUQWJDZQNIH-MDYRTPRTSA-N 441.532 2.473 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(OC)c(C)c1 1740951567 IOGJJHGGPIOOEB-UHFFFAOYSA-N 449.515 2.181 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 1740965651 DPZPEGCARBCMJM-IBGZPJMESA-N 433.578 2.307 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1741408769 UIBOZOVCWGBQRN-RTWAWAEBSA-N 441.532 2.395 30 10 IEEE CC(C)Cc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741486729 PDZMIPALNWVRAM-ZREAOVPFSA-N 442.564 2.256 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1741695194 MEUBYIYFRWZXAB-LJQANCHMSA-N 436.472 2.264 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCS(=O)CC2)n1Cc1ccc(C#N)o1 1748005118 ATHRFJPOHGLMCA-UHFFFAOYSA-N 449.334 2.128 30 10 IEEE CO[C@]1(Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C#N)C2)CCOC1 1748504731 AVTQQQDADWOPNC-GCJKJVERSA-N 427.505 2.008 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OC 1748665397 QFSLMDIVKIIIJN-HNNXBMFYSA-N 439.545 2.148 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(OC)CCC1 1748841083 SDBCKSNJKUYHBB-UHFFFAOYSA-N 440.573 2.270 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@H]1C 1748846904 MDSNRCFENQYZJS-CTNGQTDRSA-N 433.560 2.198 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCSC2(C)C)CC1 1748972695 OESPHCYREJPGFP-QGZVFWFLSA-N 439.589 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)COC)CC1 1749003463 KRGXNVBABYYJFW-MRXNPFEDSA-N 440.504 2.102 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749260458 QSFOUFKFZZVLNT-KXBFYZLASA-N 429.956 2.081 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1749458048 VQNZUZAZLZMXEX-SFHVURJKSA-N 446.573 2.344 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)CC1 1749670889 WJRMLMNGXWCYDK-IBGZPJMESA-N 428.512 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H](C)C1 1749741050 NUZJUYMDHDNICS-XSLAGTTESA-N 426.583 2.085 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ncccc2F)n1 1751844786 BUSTZQMJZIMCLB-HXUWFJFHSA-N 428.447 2.195 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760187021 SMUHSYGVTSEDFZ-YJBOKZPZSA-N 448.932 2.170 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1C[C@H]1C 1760248938 GEFPUQUNROFJGK-KURKYZTESA-N 433.553 2.329 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)CC1 1760263925 VDGIAUQXDBFLGD-MBSDFSHPSA-N 446.596 2.266 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](C)OC)CC1 1760269119 YUROBXDQBHDUGX-KRWDZBQOSA-N 434.544 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760269899 GGGUQQOWYNCPSY-UHFFFAOYSA-N 442.608 2.091 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760524781 JGNRXCBZKVLLNI-CVEARBPZSA-N 432.519 2.368 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760527016 LCHOTUDXBISMHO-LJQANCHMSA-N 449.559 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CCC)C1 1760553131 LZFJKRSJPGORMU-LJQANCHMSA-N 429.546 2.423 30 10 IEEE CC(C)COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1761139081 ANCGCZMRKLRNAG-FQEVSTJZSA-N 438.532 2.212 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)c1 1761670556 FWDHBVLIQNDCLQ-IBGZPJMESA-N 440.504 2.045 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)C1 1767628784 AZCQUHZNOPQSKY-JOCHJYFZSA-N 438.463 2.472 30 10 IEEE COC[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1769246036 BQSAPMZDTNFOHB-LEWJYISDSA-N 434.500 2.451 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1769677157 SOFSAYPDOOBFPZ-IBGZPJMESA-N 438.532 2.356 30 10 IEEE CS(=O)(=O)CCCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770328634 RZMKTQRXSGQXLZ-FQEVSTJZSA-N 448.637 2.402 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OC(F)F)c1 1771187236 DAEWTTBEUVVATD-DJJJIMSYSA-N 440.426 2.489 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1771282796 HWNBHKHOSODMSB-JTAQYXEDSA-N 441.532 2.316 30 10 IEEE C=CCN(C(=O)C1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1)[C@H]1CCN(C)C1=O 1850862827 MMPFETMHFKCNGU-HNNXBMFYSA-N 425.455 2.266 30 10 IEEE CN(C)c1ccnc(N(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c2ccccc2)c1C#N 1852590884 DBGFKMACTIYTPH-INIZCTEOSA-N 429.484 2.471 30 10 IEEE COc1ccccc1-c1n[nH]cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852990424 JQTWCLSBPLBILX-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C2=O)CC1 1857338409 CNDKOGXNWYPCNQ-FUHWJXTLSA-N 432.908 2.269 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(F)cc3)cc2C1=O 1870141789 KLDJLQHYZCNSCU-UHFFFAOYSA-N 448.414 2.163 30 10 IEEE C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(NC(C)=O)cc1 1872597301 OKOOIVWRTQDINF-OAQYLSRUSA-N 440.525 2.318 30 10 IEEE COC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874461738 DCNMSXYKTIURDZ-IFRROFPPSA-N 434.396 2.470 30 10 IEEE C=CCOc1ccccc1OCc1nnc2sc(CCNC(=O)c3cnccn3)nn12 1874787008 BQLGLJCCFNQTLR-UHFFFAOYSA-N 437.485 2.092 30 10 IEEE C=CCOc1ccccc1OCc1nnc2sc(CCNC(=O)[C@H]3CCCO3)nn12 1874787795 XGGVZHQAVCCTOO-MRXNPFEDSA-N 429.502 2.167 30 10 IEEE COc1cc(N2C[C@@H](CNC(=O)c3ccc(C#N)c(F)c3)OC2=O)cc(OC)c1OC 1890871739 KQQGIGQJRRYOTF-OAHLLOKOSA-N 429.404 2.478 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1891693135 MCHLGKVRGXUMCG-RDJZCZTQSA-N 430.448 2.109 30 10 IEEE C#CC[C@H](COc1nc(C)nc(I)c1N)NC(=O)OC(C)(C)C 1986517410 DNBVOMJRTDKTOL-SNVBAGLBSA-N 432.262 2.267 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2010516299 JPSOOAUYHFCJLV-VQTJNVASSA-N 428.533 2.295 30 10 IEEE C=CC(C)(C)[C@@]12C=C(OC)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 2053487730 SOHAVULMGIITDH-ZEQRLZLVSA-N 447.495 2.438 30 10 IEEE C/C1=C/CC(C)(C)/C=C/C[C@]2(C)O[C@H]3O[C@@]4(C(=O)O)O[C@@](C[C@@H]2C[C@@H]1O)(C3=O)[C@]1(C)O[C@H]41 2060544141 INBKHVOJSUKTRK-UUYPRIEGSA-N 448.512 2.488 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622170 WTTQTSKLUMTAGZ-BQJWPVKWSA-N 436.358 2.419 30 10 IEEE N#Cc1cnccc1-n1nc(C2CNC2)c(Br)c1I 2070635402 ROSVMBNNTOJWLU-UHFFFAOYSA-N 430.047 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)CO[C@H]2C1 2124521860 LTRXKVAXWIMWMD-ZXXIGWHRSA-N 448.369 2.419 30 10 IEEE C=CCn1ncc(NC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2172854119 OITBJZHTCWUMIH-SCRDCRAPSA-N 443.342 2.268 30 10 IEEE CCc1nn(C)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 2194933346 XRRGCFZYEMTFBG-OCCSQVGLSA-N 441.374 2.190 30 10 IEEE CC(C)(C#CC(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2216457775 DGMCAKNJWDQFHB-JOCHJYFZSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1cc(Br)cc(F)c1C#N 2225622363 JHULKHODMYLXIN-SOUVJXGZSA-N 430.274 2.213 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2249667184 CBDLVHWTAXFISJ-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CO1 2255525196 AAQGDMDGYLUEEO-ZDUSSCGKSA-N 436.289 2.406 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2255626803 KSFIMWZIMCRPDL-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255627961 AVLCKBMXTVPGNF-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE C[C@H]1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2256036461 YKSZYZOQHAIWIH-BLLLJJGKSA-N 427.276 2.461 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256626391 JPPJGEKWRLRPPN-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267090955 OKBANMWXVLKJPV-GDBMZVCRSA-N 448.373 2.426 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2267264021 MJSYMTBETMIDGX-IQMFZBJNSA-N 445.369 2.454 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267288144 YYUWWZQAAMIKJL-DJIMGWMZSA-N 449.357 2.114 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267515266 LXFIPNPUFQSMPA-TTZDDIAXSA-N 446.357 2.131 30 10 IEEE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267523002 ZAIPZXSTXAZNDB-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CO[C@@](C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)COCc1ccccc1 2267536109 AGFVPBZZHPCZRA-QHCPKHFHSA-N 443.353 2.071 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2267606352 WNQTVHILMAEXTQ-WMZOPIPTSA-N 440.353 2.228 30 10 IEEE CC1([C@H]2CCCN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C2)OCCO1 2282849662 FIJNWPROHQCXAR-AWEZNQCLSA-N 443.396 2.211 30 10 IEEE Cc1ccc([C@@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 2296940658 UOKOTSHUAYUGHY-LJQANCHMSA-N 426.425 2.334 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)n1 2315400515 ZYLIXERIYPZBSZ-IRXDYDNUSA-N 433.358 2.154 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccc([N+](=O)[O-])cc1 2328681750 IHJLPAXRAANHHA-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE Cc1nc(NC(=O)[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2334388398 SDHWXGRPIXSYET-CWRNSKLLSA-N 444.341 2.278 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(C)CN(C(=O)OC(C)(C)C)C1 2337186121 PVNBVEMLBHYZDM-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2337205769 DBJHZVBRCUHKEZ-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2342544914 JSTBBBZRMQBKPF-LSDHHAIUSA-N 447.345 2.092 30 10 IEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)CC)n2)cc1 59888967 XSHXZAALOVEOCJ-RGVLZGJSSA-N 425.540 2.032 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](Oc3ccc(C#N)cn3)CC2)cc1 238880786 PEWYZHPVHJRYSB-IYARVYRRSA-N 428.514 2.324 30 10 IEEE C=C1C(=O)[C@@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@@H]3O 257803708 ZVPVWNQCJBMJLV-FBWBHSQBSA-N 434.529 2.325 30 10 IEEE biogenic CC(C)c1nnc2n1CCN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)[C@H]2C 439285545 OUPXASJYGAEQEE-FXAWDEMLSA-N 439.539 2.326 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCOC1 441918135 FPWGKBJKCQJEIU-SFHVURJKSA-N 446.528 2.341 30 10 IEEE COC(=O)[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)Cc1ccccc1OC 462086184 WOXDZSNNIAIBDH-KRWDZBQOSA-N 434.456 2.301 30 10 IEEE COC(=O)C[C@@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccc(F)c1 476776626 KXMZVOUZAWPJBC-OAQYLSRUSA-N 447.488 2.144 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481985815 ZCDATSKDGAUKCY-ZFWWWQNUSA-N 427.551 2.140 30 10 IEEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 505730130 UJCSYQUTLNIDON-WNSKOXEYSA-N 442.516 2.470 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 507194622 KWXHQHOPVCFAQM-QHCPKHFHSA-N 446.551 2.333 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)cc1 507340089 LERJVPVHUXJOHP-JOCHJYFZSA-N 430.574 2.319 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 531711751 XCJDUAMXENRMNT-RDJZCZTQSA-N 435.546 2.195 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2C[C@H]3COC[C@@H](C2)C3=O)CC1 535764712 OELMTKVZQDEBFH-PHSGOXPASA-N 446.345 2.400 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4cccc(S(=O)(=O)N(C)C)c4)no3)cc2C1=O 546492618 RAXGXISPAFXJDX-UHFFFAOYSA-N 438.465 2.436 30 10 IEEE CCOC(=O)C[C@H]1C[C@H](OC)CN1S(=O)(=O)c1cccc(Br)c1C#N 561530710 XLBQUWBJJLRIMO-NEPJUHHUSA-N 431.308 2.052 30 10 IEEE CCc1ccc(CN2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)s1 609995275 UXFBEQNDZOIJRL-UHFFFAOYSA-N 446.598 2.379 30 10 IEEE N#CCc1cccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1 619493584 UMAZKAHFMPNOSF-UHFFFAOYSA-N 433.555 2.157 30 10 IEEE C=CCn1c(SCC(=O)NCCC2CS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1 682561249 RIEPYABDJYKGRQ-UHFFFAOYSA-N 440.978 2.428 30 10 IEEE C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 728896101 DGDKTTCTNJONED-NRFANRHFSA-N 442.882 2.292 30 10 IEEE Cn1c([C@H]2CCS(=O)(=O)C2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903295 KKJJVPISFLGYJZ-INIZCTEOSA-N 447.586 2.226 30 10 IEEE CC1CCN([C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc2)CC1 732448142 DSJZDMZRGGFFAD-XKXPVHLMSA-N 425.533 2.285 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(F)n2)C1=O 747776870 XFZVECWJCLALBV-KRWDZBQOSA-N 429.521 2.420 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 758640431 VKMHKBOEVMZSHN-KRWDZBQOSA-N 447.582 2.338 30 10 IEEE C#CCN(C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 765017113 YTIAGGFCFHLWPP-AEFFLSMTSA-N 426.579 2.309 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cc(F)ccc2OC)C1=O 777468883 YWKBQCXLXYFVDG-NUKJZCFVSA-N 430.505 2.408 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cncc(Br)c2)n1 789966184 GDPPWMFDNXOXMX-AWEZNQCLSA-N 448.350 2.465 30 10 IEEE CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NCCNc2ccc(C#N)cn2)CC1 790544559 ZDFIGAKBKVQPHK-UHFFFAOYSA-N 439.495 2.385 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccccc3C)c2=O)cn1 794584102 IRSHBGJAGILTOY-SFHVURJKSA-N 446.532 2.003 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 795230957 AKLZYHVTIJYTQZ-UHFFFAOYSA-N 444.507 2.362 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CCCC2 798746612 XDOQEUOUYVENPO-VXGBXAGGSA-N 445.501 2.398 30 10 IEEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 802619428 BTZHEJWWPZXVJL-VQTJNVASSA-N 427.505 2.242 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[C@H]1CCS(=O)(=O)C1 804285855 FWPKMXKSGQJIKN-INIZCTEOSA-N 427.551 2.488 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccccc2C#N)CC1 806694855 IULKEBHRHWOCMP-GOSISDBHSA-N 444.532 2.490 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 812184138 KYUFLMPHUGCZQR-VGSWGCGISA-N 449.552 2.158 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 812190573 ZFXQYRIVSXNPEY-MRXNPFEDSA-N 436.557 2.125 30 10 IEEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(F)cc1 812938530 NLUWTAMNNQWPBT-GOSISDBHSA-N 434.493 2.211 30 10 IEEE CC(C)[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N1CCN(c2ncccn2)CC1 914678823 VWYIKBUVURMPFU-PXNSSMCTSA-N 437.500 2.032 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 917493024 LHBYEOGGFPTVDR-FQEVSTJZSA-N 446.532 2.342 30 10 IEEE C#CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1C)[C@H]1CCS(=O)(=O)C1 918756455 UFOGUVGYGGGTAC-INIZCTEOSA-N 436.331 2.206 30 10 IEEE COc1cccc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1 1084355597 YYKLIFZHCDBVOU-UHFFFAOYSA-N 430.494 2.174 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)c1 1084507727 VUXQMPFXNQQHEH-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)C1 1116538832 CDURZUYYYZGGHK-DRSNIGMVSA-N 436.553 2.226 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1134899308 LISPQWQKBGLDOT-GASCZTMLSA-N 446.529 2.431 30 10 IEEE CCO[C@H]1C[C@](CO)(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(C)C 1138270867 AUPBFCLUAGUZEE-FXAWDEMLSA-N 436.350 2.439 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)C2=O)cc1 1140112213 VPEOSDMOGCAXNV-AUSIDOKSSA-N 433.468 2.034 30 10 IEEE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1142690774 ONDGCOUMCAZDJZ-UHFFFAOYSA-N 434.445 2.034 30 10 IEEE CC(C)c1ncc(OCc2ccccc2)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 1144429370 SSFPAIQUNATJPJ-ZBJSNUHESA-N 435.484 2.435 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)c1 1149001067 HUJJHVHMGAHAMM-UHFFFAOYSA-N 425.510 2.333 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O 1153357479 DUCHKQUXGFXAFD-RTBURBONSA-N 427.501 2.038 30 10 IEEE CCO[C@@H](CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)CN(C)C 1154442542 LKUIRCGSZNPSRQ-AZUAARDMSA-N 430.549 2.475 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C2)c(=O)nc1O 1159491158 VQXGAKDGGRWQPY-UHFFFAOYSA-N 431.239 2.010 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)c1 1160547636 KMPPAXSYCNISRU-UHFFFAOYSA-N 446.550 2.485 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccccc2)[C@@H](CO)C2CCC2)cc1 1163144962 HSLFFAKBNISWSY-NRFANRHFSA-N 427.526 2.026 30 10 IEEE N#Cc1cccc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1184776114 YPLDBELRBBJABI-UHFFFAOYSA-N 426.376 2.395 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1233852050 JMTLHTRDJPLPHY-NVXWUHKLSA-N 444.488 2.136 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286388295 ZTKFMEZCQMTVFT-OAHLLOKOSA-N 436.965 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1286399181 AOFAWDZAAFACTF-ZWKOTPCHSA-N 444.532 2.455 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC(=O)N1C 1291217504 CIZPJYRCRHZXKP-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE CCc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1292526283 FLSSDGPVFGHZPZ-UMIVRTMYSA-N 436.516 2.259 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1298943667 JCIQEBPHJQKURW-HOTGVXAUSA-N 426.521 2.115 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1300310743 ZELVMKOQDHRYNN-KBPBESRZSA-N 446.964 2.227 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N1CCOCC1 1300441447 OOSYCNLBOWAEHG-MRXNPFEDSA-N 427.574 2.450 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300982123 BAOLHPKLFJZBIF-UHFFFAOYSA-N 427.553 2.214 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(CCCN2CCOCC2)CC1 1301502643 NOMOIHRDMJAJFQ-UHFFFAOYSA-N 446.640 2.498 30 10 IEEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1302219113 DBFQADTZKNUPSY-KRWDZBQOSA-N 443.552 2.226 30 10 IEEE CNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(CNc3ncccc3C#N)c2)cc1 1302529940 RYDLQINEAUKIHK-UHFFFAOYSA-N 449.536 2.446 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1302793345 IOIXJGNNYPSWOY-KRWDZBQOSA-N 449.602 2.353 30 10 IEEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)cn1 1303543490 KMJHCIYYBVKPAX-QGZVFWFLSA-N 425.432 2.179 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1313033115 BPDRXKSNDBJSKO-OALUTQOASA-N 444.532 2.402 30 10 IEEE CCOC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1314049477 QHDAIQWHSZPNCI-UHFFFAOYSA-N 435.536 2.087 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1315531514 HOKGDPGXZZLALD-JTSKRJEESA-N 444.511 2.028 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1316188801 KMEJMOYEFNCXBR-OPAMFIHVSA-N 426.521 2.279 30 10 IEEE C=CCN(C(=O)c1cnc2scc(-c3ccccc3)n2c1=O)[C@H]1CCS(=O)(=O)C1 1318161706 TVAVICBFMODGJJ-HNNXBMFYSA-N 429.523 2.238 30 10 IEEE C#CCNC(=S)/C(=C(/O)c1cccc(S(C)(=O)=O)c1)[n+]1c(C)ccc(O)c1Cl 1340631416 KQXDMYGYVNXIFW-UHFFFAOYSA-O 437.950 2.479 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1358873516 KJQBRPZHTGABAO-HJPURHCSSA-N 444.532 2.462 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1358924538 ADYWHONHOMFARX-IBGZPJMESA-N 433.560 2.267 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1358930454 VXURTPOURGEVSN-LJQANCHMSA-N 427.574 2.229 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1c1cnn(C)c1 1358944604 ZYUZBCNRWSZVBS-QGZVFWFLSA-N 435.532 2.434 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358959110 BRJICDFEFIWWFT-GFCCVEGCSA-N 433.843 2.183 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)COC 1358992036 XDTJYCAXXBFPGW-UHFFFAOYSA-N 432.528 2.328 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N(CC)CC)CC1 1359039542 MYAXIHXUGPDUQL-LJQANCHMSA-N 428.556 2.482 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C 1359075647 AQCHGWFMOFFCLZ-UHFFFAOYSA-N 442.749 2.446 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359150978 JXPPIJCEQLHDGT-HZPDHXFCSA-N 428.928 2.301 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1359219070 GCMOXRWJSXVJRY-UHFFFAOYSA-N 430.582 2.107 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359343682 YLLBOCMGXVXEKV-ICSRJNTNSA-N 434.654 2.385 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c([N+](=O)[O-])c1 1436067917 KFPZBXCYGPULFI-UHFFFAOYSA-N 448.888 2.486 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)s1 1445182473 IHKDINZTAYMHBX-CVEARBPZSA-N 427.592 2.003 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)c2cccc(C#N)c2Br)CC1 1449778915 ZDDFSJOLYRUVBY-RUZDIDTESA-N 427.320 2.237 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)cc1 1455097241 SJQXRVYPQMFWFH-QXAKKESOSA-N 446.326 2.054 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)C2)nc1 1456060054 HWTOPDHVWYMEAX-SFHVURJKSA-N 445.520 2.254 30 10 IEEE N#CC1(NC(=O)[C@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 1464504081 VCVBRVZWPFLXSM-FQEVSTJZSA-N 432.480 2.332 30 10 IEEE C[C@@]1(c2ccc(CNC(=O)c3ccc(Br)cc3C#N)cc2)NC(=O)NC1=O 1464718227 KPGQUMFCKCPKDO-IBGZPJMESA-N 427.258 2.305 30 10 IEEE C#CC[C@]1(C(=O)NCC(=O)N2CCOc3ccccc32)CCCN1C(=O)OC(C)(C)C 1471843438 IKROYVCHBYROGB-HSZRJFAPSA-N 427.501 2.321 30 10 IEEE C#CCN1CCN(C(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 1473016341 POSIAAABIVPAKE-UHFFFAOYSA-N 433.262 2.062 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(C#N)o1 1504108185 SUAFRHDIIUBYON-UHFFFAOYSA-N 426.864 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CCc2ccccc2)C1 1507636596 BCDJZXZAOHJAFZ-JOCHJYFZSA-N 432.572 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(SC)CCOCC1 1507656089 CQVXKDXHJXCMJJ-UHFFFAOYSA-N 443.598 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(O)c1 1507667101 JCPJCTODOZKCTE-UHFFFAOYSA-N 433.468 2.231 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOc2ccc(OC)cc2)CC1 1507731544 LJCAVQMKRQMBBV-HXUWFJFHSA-N 439.560 2.405 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507869774 XKWVEZJKDPJSGQ-KUHUBIRLSA-N 440.928 2.170 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1508097071 GNONOLWXNJOAQD-AJYBTWMASA-N 432.613 2.418 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(OC)cc2)C1 1508109587 UHCBGLOIZSXTIS-HXUWFJFHSA-N 441.532 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508133346 HMGGIVMEXBATMW-KRWDZBQOSA-N 447.561 2.039 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508158005 CVHLKMQHMWPXDS-MRXNPFEDSA-N 431.541 2.009 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)cs1 1511533359 ZGFQGOXMXYQBPY-IBGZPJMESA-N 429.481 2.099 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1Cc1ccc(C#N)o1 1513382568 FWSVMLZKHPLYKR-KRWDZBQOSA-N 437.508 2.179 30 10 IEEE Cn1nccc1[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1517422750 KYDRWCFDBBHWOS-FQEVSTJZSA-N 435.532 2.333 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1517478777 JLDXEDHTDLDANR-DEOSSOPVSA-N 449.559 2.086 30 10 IEEE COCC1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1518793158 ZZYUDKROQZUAJP-HNNXBMFYSA-N 430.509 2.045 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1525698934 YTFJDOKKHUAVGY-WZONZLPQSA-N 425.485 2.341 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)C1=O 1532855572 JTUYTVMTTQKMDZ-UHFFFAOYSA-N 444.827 2.207 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(CC)C1CC1 1538983868 YRHXDLWJNHSTQK-QGZVFWFLSA-N 444.605 2.138 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539133991 OKPHDUTVUXSCNC-CRAIPNDOSA-N 432.908 2.284 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCN(CC)CC1 1539284962 WLKWPEZVBIWPRM-FGZHOGPDSA-N 440.636 2.297 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1539337512 KBGNVFIPHALVMU-UHFFFAOYSA-N 430.622 2.335 30 10 IEEE C=C(Br)Cn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539608603 ALAVORAGOPDNLG-RDTXWAMCSA-N 443.342 2.227 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539911316 ZZGDGKMFHXYQRJ-KRWDZBQOSA-N 425.537 2.359 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1540861964 NFIQIYVLWBQEAU-MMKMLUHNSA-N 443.596 2.441 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1540864363 XPLSANJNMNVFFH-RTWAWAEBSA-N 449.559 2.224 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(OC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876298 MZUBGHSVZLEGDO-QFIPXVFZSA-N 435.569 2.015 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1552735811 YEJGKRBFGQJGQV-QHCPKHFHSA-N 440.548 2.458 30 10 IEEE CO[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C 1554672349 LPSUBBCJIJQNJB-XMTFNYHQSA-N 448.568 2.449 30 10 IEEE COc1ccc(COCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1554952408 BPENSUGYDRDXGN-KRWDZBQOSA-N 448.531 2.189 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1554980195 VLVALIVYVSAOPM-SJORKVTESA-N 435.431 2.019 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1Cc1cnnn1C 1555544966 AHJGNSUQJWIDHX-FQEVSTJZSA-N 436.520 2.221 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 1557615585 HXNRERWEYJWLHM-APPDUMDISA-N 442.324 2.382 30 10 IEEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1561868166 LGYNKEQGIPONHX-NSHDSACASA-N 425.334 2.066 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1570416517 GBPAUHJYIHRVQS-UHFFFAOYSA-N 433.505 2.214 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cc(C)no2)CC1 1588732874 IMDYZYURCXLIDT-UHFFFAOYSA-N 433.516 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cnccc2OC)CC1 1588898774 BLHNHNQOODWWOL-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1594246975 CIPKRTANHDYLON-UHFFFAOYSA-N 433.553 2.446 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1595156144 GVALTJMNJPGKQC-HOTGVXAUSA-N 428.562 2.398 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)COCCO1 1595302996 JEMITAMCOVSUHA-UGKGYDQZSA-N 430.505 2.235 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2CC)C1 1595664811 KMGJMZIPRDQCFA-INIZCTEOSA-N 429.569 2.104 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595889983 FOFDXBXPOUHGDD-KRWDZBQOSA-N 446.602 2.059 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(C#N)c(F)c2)c1 1597468967 WGBFLGPAZUHHPU-UHFFFAOYSA-N 430.505 2.478 30 10 IEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1612068711 MLMBSIAFCVUNMI-UHFFFAOYSA-N 431.500 2.308 30 10 IEEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1612816204 DONDJOUUHQROGT-QGZVFWFLSA-N 430.578 2.172 30 10 IEEE COc1cc(C#N)ccc1OCCN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1615332259 LDXDNJXHJVBWJG-GOSISDBHSA-N 446.548 2.299 30 10 IEEE CCO[C@@]1(c2nnc(N(CC)Cc3cnn(C)c3)n2Cc2ccc(C#N)o2)CCOC1 1616168629 DJUYLRUTFSNRDJ-NRFANRHFSA-N 425.493 2.203 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCCC2)ccc1Br 1621615095 AWWUMOHBMUFDEE-AWEZNQCLSA-N 430.349 2.007 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1624793960 RVXRCDPCJAKBMA-JOCHJYFZSA-N 432.496 2.108 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1625354306 YFYUGNHKMKXNHS-QRVBRYPASA-N 447.557 2.187 30 10 IEEE O=C1C=COC2(CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)CC2)C1 1626983343 PZICKMJUFAIPKS-UHFFFAOYSA-N 438.571 2.330 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCn3ncnc32)CC1 1633105255 YEXFBRSEZUDHMK-IRXDYDNUSA-N 429.322 2.327 30 10 IEEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)[C@@H]2C1 1636368822 LFQBRGFRRUQNLT-NCXOUKMHSA-N 431.533 2.477 30 10 IEEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)O2)CO1 1638514452 VRLAZVRPCJPWNH-WLENULPWSA-N 438.532 2.285 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC)C(=O)NCc2cccs2)ccc1F 1638986238 YGWCXMFFHBVUSH-MRXNPFEDSA-N 439.534 2.176 30 10 IEEE C=CCOC[C@@H](NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC 1639558072 BWDUEBHTKXFJQI-LJQANCHMSA-N 432.517 2.383 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC3(C#N)CCCC3)CC2=O)cc1 1639709796 SDYYKIRBSSSINU-QGZVFWFLSA-N 446.573 2.270 30 10 IEEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1640785541 AIABHXHDJXJLNJ-SFHVURJKSA-N 427.505 2.158 30 10 IEEE CCN(C(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 1652918613 CEIRPAJEDGVDTL-ZDUSSCGKSA-N 439.946 2.137 30 10 IEEE C=CCCC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCCC1 1665657969 GASJNPOJKCOWER-UHFFFAOYSA-N 449.621 2.359 30 10 IEEE C[C@H]1CN=C(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)S1 1667526228 DYJVGQHZVMDASY-NSHDSACASA-N 429.365 2.118 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1675444098 IONKUYZSJGFZQT-JOCHJYFZSA-N 425.577 2.295 30 10 IEEE CN(CCOCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C(=O)OC(C)(C)C 1682840786 NEGVBSMZAHFWSQ-UHFFFAOYSA-N 449.527 2.412 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1685267413 YFJUDZYWWFDVCQ-OALUTQOASA-N 434.581 2.284 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OCC)CCOC1 1689906088 HRVXXUYOXCTZCV-QHCPKHFHSA-N 441.532 2.289 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1689929629 AOUZALVRDISHRH-KRWDZBQOSA-N 445.999 2.467 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)nn1C 1690087084 JLWIBYGHBWOCIW-UHFFFAOYSA-N 435.507 2.383 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCn2cc(C)nc21 1690108302 UDOOPZFDYQKPJK-UFYCRDLUSA-N 442.564 2.171 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1690165730 IHBSUIRDEWTCEJ-MRXNPFEDSA-N 443.573 2.386 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCCOC)C1 1690175090 PTCXXUWZGVKCAB-YLJYHZDGSA-N 444.557 2.399 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690408316 DUEJXNPJDJVJFR-GOSISDBHSA-N 435.523 2.437 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1)C1CC1 1690535516 BBIDGKCEYCAMGT-NRFANRHFSA-N 431.924 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690715322 IWSNPTPFEOIMTH-ROUUACIJSA-N 447.609 2.288 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1705490857 SCKQPJHZHYEKLF-ZYSBOAIWSA-N 440.573 2.292 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NCC)c1 1705503707 CAOUESJRQTVNRI-VDGAXYAQSA-N 425.533 2.258 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1705533358 LTWIEZJKZAALME-ICSRJNTNSA-N 434.544 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCN(C)C(C)(C)C1 1705585438 RXJOEPPGVMFDJN-UHFFFAOYSA-N 443.599 2.380 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN(C)c1ccccc1 1705747132 GJKJYEUCCLIWNF-HNNXBMFYSA-N 426.974 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1705934155 CMSQKDWUVQDHFD-CQSZACIVSA-N 428.518 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705938678 GZCNBTZESFMGHM-OPYAIIAOSA-N 440.610 2.402 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C)N(C)c1ccccc1 1706848865 HTNQGNFHMURTIK-BBWFWOEESA-N 433.582 2.152 30 10 IEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1710388788 GBQSYVSGKNWJEL-UHFFFAOYSA-N 426.521 2.103 30 10 IEEE COC[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712141090 IZHOWCVUBDITSP-MJGOQNOKSA-N 425.537 2.048 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1 1722280000 VUUICRIFKWMMFS-QRQCRPRQSA-N 430.505 2.234 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1722357919 TWGPYZIPTNNHHB-IYBDPMFKSA-N 442.520 2.141 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)[C@@H](C)CCC 1722384998 XERBVQIEZJFAHV-RXVVDRJESA-N 435.528 2.416 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 1722504202 FHMTYXCRAPGFBX-YLJYHZDGSA-N 425.537 2.198 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1722536799 HQKJFEABEASJPQ-FQEVSTJZSA-N 427.505 2.052 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1722696660 SBKZEMZXAAQQER-GOSISDBHSA-N 447.543 2.298 30 10 IEEE C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1723816179 FKOCWYZVKHPQMZ-CQSZACIVSA-N 448.369 2.496 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(C2CC2)C1 1723886047 HJOOAUYHRREVEA-FUHWJXTLSA-N 442.589 2.170 30 10 IEEE CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)CC1 1724014657 IJJKXBJLYKNSGG-NRFANRHFSA-N 444.561 2.205 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 1727602312 ARNZVEVPDWQVEB-FUHWJXTLSA-N 426.569 2.286 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCCO1 1727652915 JKQYFMCSFSTIJB-UXHICEINSA-N 438.532 2.117 30 10 IEEE CCCNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1728192637 FDHVPZBWMQISKD-NRFANRHFSA-N 443.577 2.316 30 10 IEEE CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1CC 1729170009 CEAJFONABVZSDT-MSOLQXFVSA-N 428.537 2.232 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1729994863 BRUZIYNHARFMJH-SFHVURJKSA-N 431.863 2.126 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccn1 1730749778 BIFPPXQANOQDKS-OAQYLSRUSA-N 445.527 2.392 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1730762815 MUTJVAFNHZSLJH-RBUKOAKNSA-N 438.532 2.202 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1740547743 AXFRXSVACOLNHM-OAHLLOKOSA-N 433.516 2.310 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1740623103 OFPMTXSIPUDHDU-AEFFLSMTSA-N 444.557 2.258 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1740756630 JSYKVNIJNZLQAH-MJGOQNOKSA-N 425.537 2.021 30 10 IEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740779054 LYZKDSDZXCKOJB-CQSZACIVSA-N 433.475 2.473 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740867567 ODHKCOGASXNGPV-LJQANCHMSA-N 427.553 2.199 30 10 IEEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740875158 TVVLKNQQUDBBOJ-UHFFFAOYSA-N 425.537 2.189 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1740894486 WITXDKQELPZSMI-UHFFFAOYSA-N 433.578 2.082 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1740947672 AJUQCWKCHGUJOP-QGZVFWFLSA-N 438.536 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](COC)C1 1740993392 ZSWNGRCWEUJMDI-GOSISDBHSA-N 436.553 2.472 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(=O)NCC(F)F 1741484397 FTTRFVHYLWEAPX-KRWDZBQOSA-N 432.475 2.307 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1741851345 WKXFLCRVRJSPOR-PKOBYXMFSA-N 441.555 2.460 30 10 IEEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1746668173 AZYMDSUZMIMZEO-APWZRJJASA-N 425.480 2.484 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F 1747432650 FDRJSAJFTMZLNZ-UHFFFAOYSA-N 430.456 2.145 30 10 IEEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1747917724 GMHMPKMFAAJCSR-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCO[C@@H](C)C1 1748772822 YZDHDZCRXWAKCF-DOTOQJQBSA-N 430.578 2.431 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748805046 NGDJXWINMCILBL-LJQANCHMSA-N 446.573 2.254 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1nnc(C)s1 1748830454 WPTCALXNCFYXFY-NRFANRHFSA-N 428.562 2.184 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748925898 PAMGTHONUNXVFE-DLBZAZTESA-N 429.487 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCC(C)CC3)nc2)CC1 1749004391 HUHLPHSSGHKZOD-UHFFFAOYSA-N 435.576 2.232 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCOC2CCOCC2)CC1 1749010786 XFYRJBZMBSVFAI-UHFFFAOYSA-N 429.565 2.097 30 10 IEEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(=O)(=O)NC)CC1 1749345517 LBJYURALYIFJKR-UHFFFAOYSA-N 433.578 2.024 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1749415493 RGDWGUPGGHZRAI-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749461209 OPDWDGYTLVTGKT-JOCHJYFZSA-N 429.496 2.448 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)C)CC1 1749668695 CTWAOZYYBGXYQN-HXUWFJFHSA-N 440.548 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1749731719 JAZDZZOCCLGXKB-UHFFFAOYSA-N 435.594 2.128 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1750176256 TWNWDAPHHAKHHW-WOJBJXKFSA-N 427.505 2.149 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2ccc(C#N)o2)n1 1751852963 SDHHJKWHXLVJOF-UHFFFAOYSA-N 448.453 2.337 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1760183893 DLMIKFZAOJAFGV-KGVIQGDOSA-N 443.573 2.315 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1N1CCOCC1 1760217062 NRDWVIFJHQOVNR-UHFFFAOYSA-N 447.518 2.166 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1760421326 LMWCEKSVLKQYCV-UHFFFAOYSA-N 433.520 2.398 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760426474 SYNBCMHZZAEAOL-UHFFFAOYSA-N 427.553 2.110 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760525390 DHNNZERMEWPJNU-GOSISDBHSA-N 449.559 2.147 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCOCC1 1760692057 XFGYLYUGFLZIIP-HNNXBMFYSA-N 430.509 2.187 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)CCOC 1761880439 CSCMXNXNPUFFKQ-VGOFRKELSA-N 427.553 2.172 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1(C)C 1766731696 SOPBMQHEUHHJPV-UHFFFAOYSA-N 432.550 2.047 30 10 IEEE CO[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1769670861 MBBCGMDBJIIDHZ-FQEVSTJZSA-N 433.516 2.470 30 10 IEEE COc1cc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)ncc1Br 1848968995 LHXAKGZOJWHROC-UHFFFAOYSA-N 435.322 2.467 30 10 IEEE COc1nc(C)c(I)c(C)c1C(=O)N1CCc2[nH]nc(C#N)c2C1 1849509950 RYJBMYPYJNQIBX-UHFFFAOYSA-N 437.241 2.105 30 10 IEEE CCOc1cc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nc2cc3c(cc12)OCCO3 1851824725 MPJAVXPPSHIOFM-UHFFFAOYSA-N 446.467 2.029 30 10 IEEE Cc1cc(C)c2c(=NC(=O)CN3CCC(COc4ncccc4C#N)CC3)[nH]n(C)c2n1 1853102127 ZAHVUUWEMNSBFX-UHFFFAOYSA-N 433.516 2.003 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2c(C)cccc2C)cc1 1858963704 SNJNSNYKIZYHFO-UHFFFAOYSA-N 430.482 2.047 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862597197 SHCAACJXENDCKP-SFHVURJKSA-N 427.413 2.146 30 10 IEEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN2CCN(CCO)CC2)cc1=O 1870413295 YXABWBVMANCFNA-UHFFFAOYSA-N 445.608 2.273 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2044526111 RYQZKPQYVQHPAM-IBGZPJMESA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@H](O)[C@H](N)C#Cc2ccccc2Br)C1 2227476031 OAKMRDPKBCUUBT-IXDOHACOSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2255544607 BYZOUFGTSKZANC-PHZGNYQRSA-N 432.326 2.422 30 10 IEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627070 NNRUTRUHACXVLJ-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630712 OBZAMEVSEJQKIK-CYBMUJFWSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2255695997 NUDFOOUDJBIZCC-CVEARBPZSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2256885902 WAKMVMKFIRRSEF-HNNXBMFYSA-N 437.321 2.250 30 10 IEEE Cc1cc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267107621 AYEMTEIINPOIDE-QGZVFWFLSA-N 448.369 2.218 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267127056 FYHLXTGUPCHEBA-SFHVURJKSA-N 438.381 2.313 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267135286 ASGUMSYWOYTUPM-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2267135409 CFQOQJPPROOWHE-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267137855 UAPYWGPWVIJSRQ-FPTDNZKUSA-N 446.357 2.086 30 10 IEEE CC(C)[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2267139745 KOVWBUOUWGUGFH-YOEHRIQHSA-N 448.373 2.473 30 10 IEEE CN(CC(C)(C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267162671 QKBAVZBLBSKWQO-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2267233451 GWLIJQLYJJQBPV-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)OC1(C)C 2267267704 LTUMOQZOXSAQFZ-IBGZPJMESA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](F)C1 2267272800 DETOIJKHBCHJFO-HZPDHXFCSA-N 449.332 2.458 30 10 IEEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268603465 QXTJAGMTARZMSQ-UHFFFAOYSA-N 443.313 2.434 30 10 IEEE Cc1cc(S(=O)(=O)N2CCC(C3OCCO3)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282316421 CACGOEYRZBCAGG-UHFFFAOYSA-N 443.396 2.129 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccccc2C(F)(F)F)cc1 2325710551 RSZXVAKOQJINKT-UHFFFAOYSA-N 426.416 2.294 30 10 IEEE CCOc1cc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SCC(N)=O)ccc1O 2329260433 MXVSQJGFLFWAHR-UHFFFAOYSA-N 441.513 2.441 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337193153 BWSTVJOHVTZFKJ-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NC1C2CC3CC(C2)CC1C3 20914496 YPSLMEKCPANHJC-AUEPDCJTSA-N 441.561 2.177 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 107561817 SHNPOGMTDIKILG-IAGOWNOFSA-N 444.557 2.090 30 10 IEEE N#Cc1cccnc1N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 301094466 ORFXAYXNDAURAB-UHFFFAOYSA-N 441.391 2.482 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc21 426909103 KPCYCEUSAFMQEO-UHFFFAOYSA-N 430.464 2.419 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 428360933 CKUULHFPVJWKKO-MRXNPFEDSA-N 436.497 2.497 30 10 IEEE CC[C@@H](C)c1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 434510866 BFFIAQVYHKFRRF-OAHLLOKOSA-N 428.518 2.400 30 10 IEEE N#CC1CCC(CNC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CC1 440977973 CMLAQTVSWPPTRM-AFMYVXGZSA-N 428.533 2.490 30 10 IEEE COc1c(F)cc(CC(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1S(N)(=O)=O 468530153 PRISJILEJYZLJI-UHFFFAOYSA-N 440.337 2.368 30 10 IEEE CSc1nc(O)c(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1C#N 476880167 KEGZHCWPJOCKTB-UHFFFAOYSA-N 427.530 2.140 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C#N)o2)c1=O 478756062 PVBZQCJRZFIDGN-MRXNPFEDSA-N 445.500 2.171 30 10 IEEE N#CCCN(C(=O)CN1CCN(C(=O)c2ccc(O)nc2)CC1)c1cccc(Cl)c1 498984962 GOCXZIYHZDWFND-UHFFFAOYSA-N 427.892 2.145 30 10 IEEE CCN1CCC(n2nccc2NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505419848 FWEOXDWVOBTKNJ-LJQANCHMSA-N 449.515 2.255 30 10 IEEE CCN(CCc1nccs1)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533598455 VMGZZVCEHFJICI-UHFFFAOYSA-N 440.529 2.476 30 10 IEEE Cc1ccncc1N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 536159965 GXJHTABCSOBMPE-QFIPXVFZSA-N 436.535 2.060 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1nc(-c2cccnc2)no1 561361381 RVRXHBOIQVAPCQ-QGZVFWFLSA-N 437.529 2.034 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)c3cc4ccccc4oc3=O)CC2)c1 586388533 CBAJVAHURNRIIB-UHFFFAOYSA-N 431.448 2.279 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nc(C)nc(C)c1C#N 600822939 GZGORGPIODOTRM-GFCCVEGCSA-N 449.558 2.343 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 603957725 HRILUGWTUSTRJA-UHFFFAOYSA-N 435.571 2.104 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 608827079 XIAFFJFMNIVUAV-OCCSQVGLSA-N 447.538 2.177 30 10 IEEE N=C1S[C@@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1N=Cc1ccc2c(c1)OCO2 725274259 JTJUNBIZALRNES-MRXNPFEDSA-N 440.437 2.355 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(Cl)cc3)c2=O)cc1[N+](=O)[O-] 730251216 FQAQAMHPDKXVCI-UHFFFAOYSA-N 438.852 2.496 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)c(C)c1 730888302 GNBGXHKQEWMTKI-HNNXBMFYSA-N 445.497 2.143 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1Oc1cccc(F)c1 737304735 AZOPVFXJPXDSFI-FMQUCBEESA-N 438.415 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cccc21 754189007 BXBGGAOXLWZOIE-INIZCTEOSA-N 439.516 2.121 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)ccc1F 757011608 VOZVEMZNIIANBO-INIZCTEOSA-N 433.505 2.307 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C)cc2C)C1 760301751 MCGYBHYRTPEAPT-WBVHZDCISA-N 431.562 2.175 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cc1F 774280051 KCQAWOSKGMNGLH-QGZVFWFLSA-N 438.569 2.295 30 10 IEEE C#CCN(C(=O)Nc1cc(OC)c(Br)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 776024707 HCXDCIYCHNEBKR-GFCCVEGCSA-N 431.308 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CCC(SCC(=O)N(CCC#N)CCN2CCOCC2)CC1 778634507 QLNYHUGEQXBDBU-UHFFFAOYSA-N 440.610 2.194 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N([C@@H](C)c2ccncc2OC)C1=O 783512003 ZDSLCWYXISQKTD-LRDDRELGSA-N 429.502 2.323 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800773227 CJAHKRVFSUVTKN-SFHVURJKSA-N 444.543 2.428 30 10 IEEE CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)Oc2cccnc2C#N)cc1Cl 808311276 WLJVKQIIAWCAGQ-UHFFFAOYSA-N 430.269 2.495 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H](C)c3cccc(NS(C)(=O)=O)c3)CC2)c1C#N 812007630 AHLYKHPJESVSHX-CYBMUJFWSA-N 448.574 2.288 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc(C)c1OC(F)F 837832703 RRMPNWKJYYLLPT-MRXNPFEDSA-N 431.464 2.334 30 10 IEEE C#CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 914866322 KMAKXUXZKWBVBX-UHFFFAOYSA-N 439.428 2.064 30 10 IEEE CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 915927572 YILIWAREAXUNCB-UHFFFAOYSA-N 438.506 2.289 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc1 1084136204 MRDMRQPJUQLAGT-UHFFFAOYSA-N 442.549 2.061 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cc1 1084357523 PEICLRUMFZVQNF-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE Cc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)c1 1084651804 NRWBJCGUWVHJGC-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(I)n2)[C@@H](C#N)C1 1126877606 NQCSSYUNXCAIFD-VIFPVBQESA-N 448.286 2.333 30 10 IEEE CCOC[C@H](C(=O)OC)N(C)C(=O)COc1c(Br)cc(C#N)cc1OCC 1127191666 AGTIEICRFSAFCC-CQSZACIVSA-N 443.294 2.135 30 10 IEEE Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134429293 WNLXUOPNYLVQHV-ORAYPTAESA-N 435.502 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1141598186 RJJDHZYINNJKJV-MSOLQXFVSA-N 440.610 2.240 30 10 IEEE Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(=O)n(C2CCCCC2)n1C 1144555385 HAWVYQUVQCFKAM-AWEZNQCLSA-N 445.545 2.178 30 10 IEEE CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1158077149 ARJQOXPQJUXLAL-UHFFFAOYSA-N 430.555 2.225 30 10 IEEE C#CCC1(NCC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)CCOCC1 1197911142 KDRVPWOUMZYIFT-UHFFFAOYSA-N 433.574 2.104 30 10 IEEE C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Br)cc3)C2)nn1 1252077550 ZNJXOPFAMYEEFI-DLBZAZTESA-N 448.321 2.325 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1276283138 DHMNUYYAWLSXHT-LJQANCHMSA-N 445.566 2.377 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286337927 ALBXZCVTPHAQTP-UHFFFAOYSA-N 449.475 2.285 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286390085 WPVJKILIZLJQCE-MRXNPFEDSA-N 441.557 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1sccc1Br 1286397580 AYDSDPJRIXRNHQ-UHFFFAOYSA-N 432.347 2.459 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286407247 GODVEUDOTDFASE-LJQANCHMSA-N 442.479 2.196 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2c(C)noc2C)CC1 1286489843 GAHHEXATDIBWNR-UHFFFAOYSA-N 433.516 2.153 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CCS(C)(=O)=O)C1CC1 1286500337 VSNGKLAXMHHQCU-UHFFFAOYSA-N 448.570 2.054 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286508086 IFOXCXHBVWNKQM-HXUWFJFHSA-N 438.601 2.376 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)C)CC1 1286549540 XWTINJARYWUAMP-UYAOXDASSA-N 439.564 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1286824989 KUJZCQOJPQKGBH-QKLQHJQFSA-N 426.583 2.156 30 10 IEEE CC(C)CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287855425 ZQMCOUCXJJUCEQ-ROUUACIJSA-N 431.610 2.185 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCCCC2)CCOC1 1288323241 SHTVAFQNSYNEOJ-AUSIDOKSSA-N 446.596 2.312 30 10 IEEE NC(=O)c1ccc(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 1289424420 JSCKFBFHMHBGKX-DTORHVGOSA-N 431.283 2.352 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1295793470 UZXKQZXICDFZEY-UONOGXRCSA-N 439.509 2.498 30 10 IEEE CCN1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CC[C@](F)(C#N)C3)cn2)CC1 1296136635 JGEFPAINTZTDAX-QFIPXVFZSA-N 426.544 2.429 30 10 IEEE N#Cc1cc(CNC(=O)c2cc(I)ccc2N2CCOCC2)ccn1 1297365159 FVGSKZGYHXQEML-UHFFFAOYSA-N 448.264 2.324 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCC1 1297767939 DRTFHNQBKYKMTJ-UHFFFAOYSA-N 446.577 2.439 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@]2(O)CCSC2)c1 1300333893 DZWAPUOFJWBJHM-JOCHJYFZSA-N 425.558 2.155 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1300695720 HHFUCMHJGSXMIK-FQEVSTJZSA-N 434.548 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CC2)CC1 1300718283 IREYKMCZAYWFNP-UHFFFAOYSA-N 431.899 2.228 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)NC(C)C 1300755554 WSSXVFREXLYDIE-UHFFFAOYSA-N 437.573 2.458 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(C)(=O)=O 1300872615 BPDKZGPMQFPVDV-VQIMIIECSA-N 448.545 2.136 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1301071206 ZOFCOLSDYMCCSI-NZQKXSOJSA-N 433.597 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301589259 PPHNVFSYLMXNNM-QGZVFWFLSA-N 437.610 2.059 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301611256 ACBLHVAWOJZCAD-INIZCTEOSA-N 433.557 2.347 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1302785706 QRYWGDVQNGUEIW-RBUKOAKNSA-N 426.517 2.047 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CC(C)(C)O)n1 1304758428 DVCRWVTXZHPDGC-UHFFFAOYSA-N 448.575 2.499 30 10 IEEE C#CC[C@H](CCOC)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1312309554 WVVNPUZRALROAE-OAQYLSRUSA-N 435.590 2.476 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)C1 1314041516 DHAOMQJBYXBLKI-GOSISDBHSA-N 442.520 2.480 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC)CC1 1314545441 LLQFQEBZWQEXND-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1314832425 FSMKLFWIOVOMMM-JOCHJYFZSA-N 446.559 2.132 30 10 IEEE CON(C)S(=O)(=O)c1ccc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1352305054 ARZDATPCULHPQA-INIZCTEOSA-N 440.522 2.394 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1358901017 YBBLEFZLMHHYDH-HCXYKTFWSA-N 446.596 2.227 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1358919295 YXOMVUPPPIXZLE-UHFFFAOYSA-N 434.548 2.203 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(CC)CC 1358948974 PUXATLGOLVGWHJ-QZTJIDSGSA-N 435.619 2.394 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1358960892 NPKRCDYVHXVVKE-KRWDZBQOSA-N 429.571 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(F)cc2F)CC1 1359047469 HYMXJBIZAXMITP-LJQANCHMSA-N 429.471 2.422 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359085660 VNJMDHQWLLHDHF-ZBFHGGJFSA-N 431.338 2.135 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359124556 NASQABDSXXSTOY-LJQANCHMSA-N 442.495 2.339 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1359188321 LILIOTQALCKISQ-KRWDZBQOSA-N 437.610 2.087 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1359230974 KRXBRXVOSVEIBB-HNNXBMFYSA-N 438.525 2.119 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1359240321 LLPSPDDDTSRHES-LJQANCHMSA-N 449.577 2.011 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)nn1C 1359255902 OGEJCGDHHDYFOI-HXUWFJFHSA-N 430.516 2.384 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359287932 GSTYZQDCVZEQHU-UHFFFAOYSA-N 431.487 2.408 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC)n2CCCN2CCN(c3ccncc3)CC2)C1 1359321724 KRMDRKMKIKSUHP-NRFANRHFSA-N 425.581 2.229 30 10 IEEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)COCCO1 1360834821 KJVMCONKKPCIIY-QHCPKHFHSA-N 438.532 2.104 30 10 IEEE Cc1nc(=NC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 1361055778 RACZPFKGIBHRJI-WBVHZDCISA-N 428.468 2.403 30 10 IEEE C[C@@H]([C@@H](C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)S(C)(=O)=O 1443932670 HZFMAWVUDPXYEH-CNMMBJAOSA-N 427.567 2.053 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1)C(=O)OC 1448492662 GDURLXIJUCFIKP-HNNXBMFYSA-N 426.395 2.006 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)C3(C#N)CCOCC3)c2)nn1 1454285680 UFOXQEISKKUKES-UHFFFAOYSA-N 440.504 2.229 30 10 IEEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1456224813 VUQUTMVNSPPEDW-WHEACTPUSA-N 447.557 2.285 30 10 IEEE COC(=O)[C@@H](COC1CCC1)N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 1463315017 CCAYTGFGLLZZKL-OAHLLOKOSA-N 431.308 2.052 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)c1 1464256915 BYXWZQKXDJPCGJ-VUSLFOADSA-N 430.534 2.242 30 10 IEEE CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1497613640 IKCQVNVMUDWUJG-YKNSSVCLSA-N 440.504 2.378 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 1505081094 CCNXUIHIQIWUAL-USKVXJDGSA-N 441.532 2.029 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCO[C@@H]2CCOC2)CCO1 1505322317 LUWFPQFFNYAOHX-CVEARBPZSA-N 433.459 2.071 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507589964 AKRRAXMCSJBLTB-GOSISDBHSA-N 425.537 2.448 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(C1)OCc1ccccc12 1507744863 XMOCPGUQTQWPTQ-JOCHJYFZSA-N 425.558 2.419 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1507843914 YFORQIIVZGCHIR-QGZVFWFLSA-N 448.474 2.175 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)nc32)CC1 1507880393 IFCFCMUWXGKRRI-IAGOWNOFSA-N 433.582 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC[C@H]1C 1508074074 NXSMVSKPTTVUBA-MRXNPFEDSA-N 429.521 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)C1 1508144240 OHOYSYKFHJXCAA-ZDUSSCGKSA-N 427.621 2.176 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(F)CCC2)CCO1 1508376316 NUDVPELFTLEDTR-IBGZPJMESA-N 426.496 2.440 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCC1 1508421900 DODADNZUMXJYSH-INIZCTEOSA-N 441.561 2.080 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCn1cncn1 1508583425 DISKVTZRJLFQCK-UHFFFAOYSA-N 437.527 2.496 30 10 IEEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)COCCO1 1510346332 ZUZOCNDYHWHTSE-LPHOPBHVSA-N 437.422 2.390 30 10 IEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)no1 1513741394 ULWRMYCLVWDWCC-QAPCUYQASA-N 437.504 2.124 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)OC 1514337545 HFKKYCGMYQDXEP-RLLQIKCJSA-N 438.532 2.259 30 10 IEEE COCC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCCC1 1518782750 LGEBEQCQRAKSIO-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@H]4CCC[C@H]43)n2CC(=O)NCC(F)(F)F)cc1 1521101419 BUOCLCHNXNNEST-GDBMZVCRSA-N 434.422 2.396 30 10 IEEE CNC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)Cc1ccc(F)cc1C 1526604476 FQRGYXYXCVJLQU-RBUKOAKNSA-N 436.487 2.080 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1538418928 FDQFIKMPUJVZHJ-UHFFFAOYSA-N 441.406 2.461 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539216674 VLKMIDCBXKLKNE-SIKLNZKXSA-N 428.558 2.080 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2cnc(C)s2)n1 1539423631 AWQCYPISJNXIHO-LJQANCHMSA-N 441.561 2.426 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539526163 KUNIFGGAZIAXFK-SFHVURJKSA-N 434.587 2.155 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCC2)C1 1539751428 NBHXLDJJEGJKNC-SFHVURJKSA-N 438.594 2.312 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539813238 ZXACAKAYZHEOGX-OAHLLOKOSA-N 429.999 2.449 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539900895 WLZJRRLZSRVBIM-UHFFFAOYSA-N 446.596 2.094 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1)C1CC1 1540099054 QDFKIQKEMOGERT-NDEPHWFRSA-N 434.587 2.415 30 10 IEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1540859380 YCYPNHOCWXUIBI-UHFFFAOYSA-N 443.577 2.001 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC1COC(C)(C)OC1 1540866427 MTQGKQFEMGVIOW-UHFFFAOYSA-N 429.521 2.091 30 10 IEEE CC(C)(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1541156529 BFTGPECSQKIWPL-UHFFFAOYSA-N 434.552 2.241 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1541801943 HKCBUCYCIZIIJQ-HZPDHXFCSA-N 434.548 2.413 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CCCCOc2cccc(C#N)c2)C1 1542639809 OCDUGVGHGZCIQU-IBGZPJMESA-N 429.517 2.367 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)on1 1543437505 FUAMJYYHUQFWBH-LSDHHAIUSA-N 428.518 2.419 30 10 IEEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 1555820612 FEIAIPWGTWNVAH-INCQDFKNSA-N 439.463 2.495 30 10 IEEE CCOc1ccc(C(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1OCC 1557384569 ROJRRZIRLRQVKP-IBGZPJMESA-N 425.485 2.277 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1S(=O)(=O)NCC#N 1557460964 ISQDIRUQYUEXNX-VQTJNVASSA-N 427.526 2.035 30 10 IEEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1557597235 ZRBLWBOHVVLCCD-FQEVSTJZSA-N 434.418 2.291 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(Cn4ccnn4)CC3)C2)C1 1566457446 HWKPSKBDBKOFFJ-DKTYTTGXSA-N 428.537 2.304 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)C1(CO)CC=CC1 1583348605 HZOPBUYREOWNAF-LAUBAEHRSA-N 439.537 2.411 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1587766568 XAMYJHUUUYLFBS-OALUTQOASA-N 439.564 2.373 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1587898182 JHZKHXXOSQKRQN-KSZLIROESA-N 444.536 2.500 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(=O)NCC)CCC1 1588185568 JJFDKYHQZUHUMD-XMMPIXPASA-N 441.576 2.088 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOC(C)(C)C 1588595638 XBVGHYMOIFXDIQ-UHFFFAOYSA-N 434.562 2.250 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1589109730 JDBAEDKVSUZQGE-RBUKOAKNSA-N 431.606 2.410 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1589216111 JWJNKBNTSHZOTB-NNMXDRDESA-N 433.622 2.293 30 10 IEEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCNS(C)(=O)=O)CC1 1594083655 SXXXULCYEBUUOK-UHFFFAOYSA-N 428.518 2.306 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1594798009 LRPCBSNUSWRBFA-VQIMIIECSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1595544228 GENPQLITESDANM-RTWAWAEBSA-N 434.544 2.415 30 10 IEEE C#CC[C@]1(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1596603148 QRNJLVVBPPOFHB-OAQYLSRUSA-N 441.594 2.146 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3(c4ccc(C#N)cc4)CCOCC3)C2=O)cc1 1596663884 SSVMBICLLSNTPT-XMMPIXPASA-N 446.507 2.456 30 10 IEEE CCN(CC)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1615449569 AQVDDTNASQPJOX-JOCHJYFZSA-N 444.511 2.474 30 10 IEEE CCN(CC)CC[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1617487884 RRWTWBUFZXFCNQ-IBGZPJMESA-N 428.558 2.315 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1618679022 SDOGOLVVOYUKGP-UHFFFAOYSA-N 438.463 2.472 30 10 IEEE C#CCN(C(=O)Nc1ccc(=O)n(CCOC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1622999136 OYMBAWCATGDCDK-UHFFFAOYSA-N 432.521 2.361 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)OCc2ccccc2)CCC1 1629545222 GGOFSCLQVRZCJX-INIZCTEOSA-N 441.509 2.007 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)OC(C)(C)C)C3)cc1 1632915235 NCJNYSQBAAXNOI-IPELMVKDSA-N 447.557 2.116 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)s1 1636104600 VJGNJCFIJUOIHN-SFHVURJKSA-N 433.599 2.140 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1636303029 ZOVGBJQYNKVIQK-HUUCEWRRSA-N 437.990 2.152 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1636388469 LGXJXCYYHNDKRQ-HNNXBMFYSA-N 443.257 2.089 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CS[C@H](Cc3ccccc3F)C(=O)N1)C2 1639989046 FYTGJHXHSYFZKQ-JKSUJKDBSA-N 430.530 2.069 30 10 IEEE C=CCc1ccc(OCC(=O)N2NC(=O)C[C@]23CCN(C(=O)OC(C)(C)C)C3)c(OC)c1 1640102683 TVYCHZXFGAIPIJ-QHCPKHFHSA-N 445.516 2.446 30 10 IEEE CC(C)(CO)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccs1 1643759524 NATUSKDWQHPHEM-GOSISDBHSA-N 435.571 2.443 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](c3ncc(Br)cn3)C2)nc1 1648311656 KYSRAVHIWFWNEW-AWEZNQCLSA-N 436.335 2.159 30 10 IEEE C=CC[C@H]1CCN1C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1648409326 GCKOQNPQLMJNAS-BBRMVZONSA-N 443.363 2.159 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)c(Br)cn3)CC2)cc1 1649588973 HDADTKHMNAYVEZ-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C#CCN(C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1652832425 IKTQUOHKKOHODD-MOPGFXCFSA-N 436.574 2.426 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C[C@H](O)CC1(C#N)CCC1 1654175029 WHCGXMXDZBFNTR-KFWWJZLASA-N 433.471 2.284 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@H](OC)C1CCOCC1 1664194615 TZVQQBAIIHSTFW-IBGZPJMESA-N 444.594 2.093 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3([C@@H]4CCCCO4)CCC3)CC2)cc1 1674842140 YZKWOLHAOQCHPH-FQEVSTJZSA-N 446.573 2.314 30 10 IEEE CN(C)C(=O)c1ccnc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1676264994 GVDMEWRCBWCUJD-UHFFFAOYSA-N 444.499 2.399 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1685561121 FGJJMYMHHOCVFK-MAUKXSAKSA-N 441.532 2.481 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)NCC#C[C@H]1CCCCO1)OC2=O 1687665804 SCHQEYMHQGPOHI-QZTJIDSGSA-N 449.548 2.191 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C(C)(C)C1 1687728327 SDAQMEKADUJJGR-SFHVURJKSA-N 428.537 2.430 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC(C)C 1689842998 MYBGONLPEIRUAB-MRXNPFEDSA-N 426.546 2.279 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCNc1ccc(C(F)(F)F)cn1 1690015147 BDWQAPYADNGIIC-MRXNPFEDSA-N 445.449 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CN2CCCCC2)CC1 1690142618 RNGYMQCMOZKVLI-FQEVSTJZSA-N 449.603 2.428 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690168060 VFHOZOQNSMNYFY-HXUWFJFHSA-N 434.562 2.466 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690247065 ZJGTZJAWVXPORG-PKOBYXMFSA-N 437.610 2.435 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690470510 DHJXSKGRQKTNOI-AVGNSLFASA-N 425.477 2.011 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690595416 WEFZOPXWKOVHAE-QYZOEREBSA-N 429.544 2.307 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1692346333 BGSZJVIFIHLQGC-SFHVURJKSA-N 436.626 2.431 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1695037725 FZALULAXSCTNOR-NQIIRXRSSA-N 431.562 2.381 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)(C#N)CC1 1696618903 MVMFXGPZEJGTTM-UHFFFAOYSA-N 426.521 2.382 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H](C)OC 1698164916 LAGGEMXBTIXCFP-IRXDYDNUSA-N 446.527 2.374 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1698278249 GSVWCDKAAAPQNQ-HXUWFJFHSA-N 438.532 2.356 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1698491529 FGIBTKDJXOTZSF-SFHVURJKSA-N 443.577 2.207 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705565032 RRFIKRRRPXQVLJ-IBGZPJMESA-N 429.590 2.220 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705566690 QHXYDWTUIDRANX-ROUUACIJSA-N 431.562 2.249 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(N2CCOCC2)CC1 1705599697 VFIHLQGGCQPMGQ-UHFFFAOYSA-N 433.556 2.205 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)c(F)c2)CC1 1705647581 HCVSGJDOXXLGCM-GOSISDBHSA-N 443.498 2.269 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1705659241 PKTHGISUAAKMRE-SFHVURJKSA-N 429.546 2.249 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705694264 QAGSEKWFSGZXFX-UYAOXDASSA-N 439.564 2.203 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@H]1C 1705714135 GGSFCMNYGUMMCA-HRAATJIYSA-N 448.593 2.181 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H]1CC 1705900592 JDAYUIYTZCZHPY-WBVHZDCISA-N 445.593 2.165 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCN(C)C2)C1 1705929475 RHDONHFUQMFPRQ-GBXCKJPGSA-N 441.576 2.267 30 10 IEEE CC(C)(O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706200431 JTWMRWVEHGWBGP-QRVBRYPASA-N 443.573 2.085 30 10 IEEE Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)no1 1707291262 MRUNTWVDZCMULS-JOCHJYFZSA-N 435.488 2.140 30 10 IEEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)CC1 1708141634 LWCPOCOHWQNSGY-UHFFFAOYSA-N 444.605 2.420 30 10 IEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1709714735 GUBUFQKVIPNTNK-UXHICEINSA-N 437.548 2.483 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C 1710204549 CLYIAWCXEBAKEL-IRXDYDNUSA-N 442.589 2.313 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1712169540 XRRQOAWWBJVBSL-PZJWPPBQSA-N 442.539 2.350 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)c1ccc(C)cc1 1712620970 AALQDUQWSPTLCY-HOJAQTOUSA-N 440.548 2.479 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2CCCCCCO)cc1 1712879862 PBMCIQBAXKDASR-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722361847 QIKCNUHPNKUTBM-WSTZPKSXSA-N 445.589 2.495 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722369301 XLJBMOWUVFCCMD-ICSRJNTNSA-N 433.622 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722423902 TXOQCWYOJORDKJ-NZQKXSOJSA-N 426.517 2.378 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 1722441264 JBKJPCJRHMXEAI-MRXNPFEDSA-N 435.450 2.176 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cc(C)on2)CC1 1722445637 UHINHTFBWOEHMH-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1722446013 JIEZXTRFGXMMJS-QHCPKHFHSA-N 425.508 2.168 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C)CC1 1722699848 ZPKLNIWCMVGISU-SFHVURJKSA-N 438.580 2.381 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1722731767 RGNOAJREGLTRQV-YLJYHZDGSA-N 426.583 2.013 30 10 IEEE CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1723116737 CRYIKSGTIXSXOW-DENIHFKCSA-N 427.528 2.063 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2(=O)=O)CC1 1740693571 CSOZFGCAPNIZBE-QGZVFWFLSA-N 447.992 2.321 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2nnc(CC)s2)CC1 1740701342 CWJCKHQPGYDOMP-UHFFFAOYSA-N 439.545 2.275 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N(C)C)c1 1740733883 MZPNJGNQHBVHPH-XMMPIXPASA-N 434.544 2.143 30 10 IEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740787518 DUGNPQVRZKNSAF-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740794287 VVSGCOOBXNUSJR-UHFFFAOYSA-N 447.543 2.214 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740804617 BWBFPBRBGKEWFU-DLBZAZTESA-N 449.964 2.349 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740808903 BUMSTHBFAYOQOT-ZDUSSCGKSA-N 436.900 2.473 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1740896739 HBWXHTOJOZTLLP-UHFFFAOYSA-N 439.545 2.008 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1740905173 MAYBTXXPYOAEKM-OKZBNKHCSA-N 434.585 2.392 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)n(C)c2=O)C1 1740983239 DRVTVWYIUGBZKU-LJQANCHMSA-N 440.573 2.471 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(OCC2CC2)CC1 1740989865 ZLHCRDXASRJEFI-UHFFFAOYSA-N 431.562 2.336 30 10 IEEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)o1 1742194008 AJRKFPAOJLHZKN-VGOFRKELSA-N 443.527 2.231 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1742312441 MGILCWQVLRYIRN-IBGZPJMESA-N 444.499 2.145 30 10 IEEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1747580158 FRWIQAIOUNMZPQ-GOSISDBHSA-N 433.516 2.463 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748706191 CLUNERANOPQFRU-IBGZPJMESA-N 441.532 2.107 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1748784772 TYWVKVMOHQXOBN-HKBQPEDESA-N 438.557 2.046 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748807774 CKCLMEMVCFTPBV-QGZVFWFLSA-N 445.570 2.481 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(F)c2F)CC1 1748994705 NXOFDBRYXYZPNL-UHFFFAOYSA-N 439.514 2.416 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1749401995 HBUDUUIXEKNXHV-OFLPRAFFSA-N 429.562 2.152 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 1749686239 RJRSBKWRSRYNQK-OAQYLSRUSA-N 438.576 2.196 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CCN1S(C)(=O)=O 1750350156 VYOPQJOWNFJHDO-INIZCTEOSA-N 446.577 2.102 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1751093786 XJDZLAGINJLSHZ-NZSAHSFTSA-N 443.577 2.283 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1751929970 CDZZWLWKNRKFTL-GFCCVEGCSA-N 428.850 2.217 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1760138903 LYFCSLVLORUNEF-UHFFFAOYSA-N 431.487 2.246 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760140612 SPVROCUQBVQQCI-FQEVSTJZSA-N 446.559 2.465 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1N1CCOCC1 1760204526 SLGPNTXXTZXLKX-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COCc1ccccc1 1760205536 DGJSCAXNWOXVSS-FPOVZHCZSA-N 440.569 2.106 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@](C)(O)CCOC)CC1 1760263434 AWFVQZGKFBIIDH-HSZRJFAPSA-N 443.617 2.422 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760527240 PRYLWZSMKCOFSV-YLJYHZDGSA-N 425.533 2.206 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1760652016 FMLQQOFQHBPUBT-UHFFFAOYSA-N 435.488 2.178 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1770433105 WFLKFUBWEVPUMC-QVKFZJNVSA-N 426.546 2.339 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCC2)c1 1771343759 KGTGLEDEPIVKPY-FUHWJXTLSA-N 427.530 2.434 30 10 IEEE CCn1cccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1772880592 BOTCKDXALMREIJ-VGSWGCGISA-N 428.537 2.287 30 10 IEEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)c1cc2n(n1)CCCO2 1848840069 RFQCMTSICXFLNL-IBGZPJMESA-N 427.501 2.331 30 10 IEEE Cc1ccc([C@@H]2[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC(=O)N2C)cc1 1851835610 UIDFPNLZDHFGJT-CZUORRHYSA-N 431.436 2.385 30 10 IEEE CCn1c(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc(=O)n(CC)c1=O 1852736607 VVTXJXXVXWLWDV-UHFFFAOYSA-N 446.511 2.325 30 10 IEEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 1852898391 WKBGZWDGXRFEMS-HXUWFJFHSA-N 430.512 2.179 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](N3CCC(C(=O)N4CCC(C#N)CC4)CC3)C2=O)s1 1853730455 QJCVRGUNNSXANW-GOSISDBHSA-N 428.558 2.272 30 10 IEEE CC(C)C[C@H](CC(F)(F)F)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854419274 ZETQGMPGTUJLJH-CQSZACIVSA-N 437.484 2.438 30 10 IEEE N#Cc1cccc(C(=O)OC[C@H]2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1860067853 YIFOMXLUCJAGID-KRWDZBQOSA-N 431.448 2.250 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)c(O)c1 1862503277 UOWQMRCMKAYSFR-LJQANCHMSA-N 428.416 2.260 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)c1 1862555211 BXOFBDSEKFZJLQ-HXUWFJFHSA-N 425.460 2.318 30 10 IEEE C#CCOc1cn(CCOCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870300348 AGMRNEWIZPEPFI-UHFFFAOYSA-N 427.526 2.353 30 10 IEEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN(CCOC)CCOC 1870574112 AUYZIQCVNGISQS-UHFFFAOYSA-N 436.549 2.384 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1873710334 ALJDHTJRORFZLX-RMKNXTFCSA-N 441.509 2.267 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)cs1 1889944167 UNCWHHXWDWBYAY-UHFFFAOYSA-N 426.502 2.033 30 10 IEEE COc1ccc(OC)c(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890261254 IOTJDUGLYLVCLX-UHFFFAOYSA-N 443.588 2.354 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)NCC#CCN3CCc4ccccc4C3)ccc21 1890500989 NIADHWSUVLTDBT-UHFFFAOYSA-N 437.565 2.326 30 10 IEEE C=CCN(CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)C(=O)OC(C)(C)C 1895864475 MFHBYWLGSCKHSG-JKSUJKDBSA-N 427.542 2.144 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 2010225996 WBGYMDSXCKGWNE-GBXCKJPGSA-N 429.561 2.389 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)C1 2020886795 PUZKFQCNCRUIGV-OAQYLSRUSA-N 439.553 2.478 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2060632783 FXNDMXMJCWXKNI-INIZCTEOSA-N 434.346 2.396 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CCC 2124453789 LMCFEDUOCNJOAF-LBPRGKRZSA-N 428.331 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)[C@H](C#N)C1 2162735978 WTYRQQKFXAGJSW-SNVBAGLBSA-N 440.254 2.337 30 10 IEEE Cc1nc(S(=O)(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c(Br)n1C 2163715265 DQZRZKNXMWNYDT-GDNZZTSVSA-N 446.176 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224073782 NYMMPPVVDKBUGP-QFIPXVFZSA-N 433.358 2.237 30 10 IEEE Cc1cnc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224118383 TXVOIQPEUMNDEW-IAGOWNOFSA-N 433.358 2.471 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229116426 NFUXAGISKFCRDQ-HOCLYGCPSA-N 425.323 2.385 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNC(=O)OCc2ccccc2)n1 2243389245 SAXZHPJCNPKYQM-UHFFFAOYSA-N 439.321 2.345 30 10 IEEE Cc1sc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2247802344 PPMJDWWMSAQGIY-UHFFFAOYSA-N 432.273 2.167 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2248403849 GXQJKHFCLMIYEE-AWEZNQCLSA-N 437.371 2.362 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CO[C@H]1C2 2254829804 NWWUCAYMGAUCFF-XHOYROJHSA-N 440.544 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2COC[C@H]12 2255362845 IRWVSFZNRPRWFO-BZUAXINKSA-N 431.342 2.109 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255602366 RBZVZWSEFDQLIH-CQSZACIVSA-N 434.346 2.038 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2255619979 UVRHSECFXVTBAA-BIVLZKPYSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2255811958 LHAXUCFCLLLTLH-SJORKVTESA-N 429.326 2.215 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255842090 MRYPSGIGHHHWFQ-PWSUYJOCSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CC(CB4OC(C)(C)C(C)(C)O4)C3)C2)C1 2256820548 SZLGJZSSAHEVKI-UHFFFAOYSA-N 435.374 2.088 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267089765 HZYFMPOTJMUFDN-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267093002 ZKMISBBXYPGVJV-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@]2(C)CNC(=O)OC(C)(C)C)n1 2267491040 XCNZYPFPRKXTOY-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1CCNC(=O)OC(C)(C)C 2267518699 GOGYHDJDKCXUBT-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267570197 UKWSPKRYQHLVGO-QFIPXVFZSA-N 449.357 2.070 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2271374058 DUDCUAGRPFQDTH-GOEBONIOSA-N 448.373 2.237 30 10 IEEE C#CC1(N(C)C)CN(C(=O)c2ccc(I)c(Br)c2)C1 2274572947 UYEKBNSHTMRHDR-UHFFFAOYSA-N 433.087 2.443 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1 2296611306 WVNJQHOFJVFLTN-IBGZPJMESA-N 444.919 2.434 30 10 IEEE CC(C)(C)OC(=O)NCC1(COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)COC1 2322253176 FENIAFGWKIRALY-UHFFFAOYSA-N 438.305 2.440 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)C=Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 2328155777 QDENIOWDCBDRTK-IPHXSNPTSA-N 449.482 2.187 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)n2N)c1 20527459 YLFYZKMMSZQAME-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 460558519 KHAMAOKUWBAGON-IBGZPJMESA-N 429.496 2.434 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C(C)(C)C2)n(Cc2ccccc2)c1C 464849701 FTNZVNMLVBRDKW-UHFFFAOYSA-N 428.558 2.472 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 468916630 HIWHNULGZRBMDQ-AWEZNQCLSA-N 439.354 2.148 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cn3c(-c4cscn4)nc4ccccc43)CC2)c1C#N 471688616 ODVKXTXEPUWIPG-UHFFFAOYSA-N 446.540 2.422 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H](S(=O)(=O)N(C)C)C3)c2C#N)C1 511120577 CAVPLKSBWKXZPN-CABCVRRESA-N 438.619 2.429 30 10 IEEE CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cc(OC)cc(C)n3)c(=O)n2C)cc1 540697306 ZTTMYRHHGQYDSS-UHFFFAOYSA-N 433.533 2.497 30 10 IEEE C=CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc(OCC(=O)N(C)C)cc3)no2)c1 545684266 XQVNEOZLHMYATE-UHFFFAOYSA-N 442.497 2.335 30 10 IEEE CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553817753 JDYKHWHBYLRMFH-HNNXBMFYSA-N 441.395 2.111 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2)CC1 555184553 OMOBPKKTGOAFPC-UHFFFAOYSA-N 442.527 2.156 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(Cl)c1 557852117 MGOYATHEPHZJET-GJZGRUSLSA-N 431.901 2.409 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 559003281 HBYPTDJUKQUXDV-HKUYNNGSSA-N 432.546 2.041 30 10 IEEE CS(=O)(=O)NC1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCCCC1 609147962 QLBWYCSKHKGRGU-UHFFFAOYSA-N 434.562 2.363 30 10 IEEE COc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCOCC1 609252279 OCKHMGXEAIVPEM-UHFFFAOYSA-N 448.476 2.049 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 609420378 SFVIWJJCRDJMDI-SFHVURJKSA-N 440.525 2.140 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1-c1ccccc1C#N 609739344 WCOZWEGYOBLRQE-UHFFFAOYSA-N 444.491 2.023 30 10 IEEE COc1ccc(CN(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]2CCS(=O)(=O)C2)cc1 611088842 CYWXVQDPDVAOBS-LJQANCHMSA-N 448.566 2.030 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)CCN2C1=O 619818029 LXHSRDGHNGADQB-FQEVSTJZSA-N 441.495 2.338 30 10 IEEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730140208 DWIMGTDRQORAFS-IEBWSBKVSA-N 432.590 2.482 30 10 IEEE COc1cccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)n1 730143166 RJRFXNMFNSKWMT-GOSISDBHSA-N 441.557 2.290 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCN1C1CC1 732673662 DDBAWIUDAMVJLB-GOSISDBHSA-N 437.466 2.424 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1C#N 741156269 XLRRJIARHRGQGV-UHFFFAOYSA-N 430.559 2.384 30 10 IEEE CN(C)C(=O)C[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccc(Cl)cc21 746296557 GSDLJZJLQVZIDX-LBVBEYCISA-N 430.892 2.165 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CC(F)F)C1=O 751923935 KTRADRVOXMBHHP-CQSZACIVSA-N 443.907 2.476 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)ccc1F 754615548 YPQOLDNTBOMPNH-UHFFFAOYSA-N 436.417 2.058 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1CCO[C@H]1C(=O)O 757479336 KQYHPOLFVXFWTK-WAIKUNEKSA-N 448.475 2.134 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 778056616 NYXXNQATXOZXJU-QAPCUYQASA-N 435.546 2.235 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 790855478 ZVQUCDKNNWRJFK-UHFFFAOYSA-N 442.559 2.405 30 10 IEEE C=CC[C@@]1(C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CCCN1C(=O)OC(C)(C)C 790888392 GRPMGRGVPFDJHU-VFNWGFHPSA-N 433.509 2.184 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 793003892 GTPJGVSWOSHBCZ-ZGTROFRASA-N 446.813 2.218 30 10 IEEE COCCn1cc(C=Nn2c(-c3cnnn3C)csc2=Nc2ccc(F)cc2)cn1 794847295 ODOQLGMIMBCEBP-UHFFFAOYSA-N 426.481 2.442 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CN2CC[C@H]3CN(C)C[C@@H]32)c(C(=O)OCC)c1C 794955483 URPJKIUCTFDDFV-GJZGRUSLSA-N 435.546 2.150 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H]2C[C@H]2C2CC2)C1=O 797426468 IWWXRXTUYBTJLL-FCEWJHQRSA-N 444.557 2.213 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 803519784 CAEQYMLBKVZBPE-IBGZPJMESA-N 442.537 2.267 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 809885207 CJBADCQMVXXNFH-RCCFBDPRSA-N 449.552 2.157 30 10 IEEE C#C[C@H](NC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 811958845 HSTBROIVWUHLSQ-INIZCTEOSA-N 426.922 2.166 30 10 IEEE CCc1ccc(C#CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 814365031 WRJJZGDEAVDVBV-UHFFFAOYSA-N 427.482 2.042 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3c(C)cccc3C)n[nH]2)cn1 1084490460 YXJJFZGEECCLIV-UHFFFAOYSA-N 428.522 2.441 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1OC 1084533647 KYUJYJHJGUVAEM-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE CN(C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)c1ccc(C#N)nc1 1130663960 ZEJOEXVDRDRMRZ-UHFFFAOYSA-N 426.274 2.450 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)cc1 1132853672 FTNAHBDMDCSFEZ-HDICACEKSA-N 441.513 2.174 30 10 IEEE C=CCN(C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1136358357 OERMNXMQILULIK-OAHLLOKOSA-N 442.463 2.348 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCC(CC#N)CC2)C1 1138163755 SMHLINQQXYQYIR-JOCHJYFZSA-N 437.537 2.486 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccnc3c2CC(=O)N3)CC1 1144762875 FEQMJLVODMCNSB-QGZVFWFLSA-N 440.301 2.361 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)n[nH]2)c1C 1157051864 VHKRPRBCNMBUNU-INIZCTEOSA-N 426.443 2.069 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 1159627508 NRRQUSUHUBUIGF-HXUWFJFHSA-N 428.514 2.475 30 10 IEEE N#Cc1cccc([C@H](NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C(F)(F)F)c1 1175354454 NJZXMAVXIOPLMW-SFHVURJKSA-N 426.416 2.287 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(S(C)(=O)=O)c2)cc1 1214687528 RQUOIJOECPYBSZ-UHFFFAOYSA-N 437.543 2.218 30 10 IEEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1254599137 LPDNYKXWKODCFH-HNNXBMFYSA-N 429.926 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286270188 JJKHDBQOWCCBFC-OAHLLOKOSA-N 427.472 2.217 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCCc1ccccc1 1286273385 DTZIUJKIMMSOGB-DVECYGJZSA-N 439.560 2.136 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(=O)(=O)CC 1286363029 IJGFYCCMGZNIHC-CQSZACIVSA-N 425.942 2.080 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cccc(F)c2)n1 1286471336 LEEBKAZDEHONHH-LJQANCHMSA-N 438.507 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](CC)OC)CC1 1286489010 BPXGJADJBHDFMD-GOSISDBHSA-N 439.516 2.065 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCSCC#C)CC1 1286489077 FARSSLDCZZZSNG-UHFFFAOYSA-N 442.976 2.326 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(C)o1 1286495886 HQTFNLOXNNTMMT-CVEARBPZSA-N 437.591 2.498 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286613375 YTEOVDDOAWNKNF-FQEVSTJZSA-N 443.548 2.018 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCN(C(C)C)CC1 1286728955 JDJDVOZGJQBMIE-UHFFFAOYSA-N 432.594 2.127 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1286969072 OBUJDAOPHVGUPD-OKZBNKHCSA-N 448.568 2.404 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC3(CNC(=O)OC(C)(C)C)CCOCC3)CC2)o1 1287549228 ORJYLWBJYXZGAV-UHFFFAOYSA-N 447.536 2.261 30 10 IEEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1288376389 MQJUXHRBAMRFDR-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1292670322 HMPDVVDVLWWZCJ-UHFFFAOYSA-N 426.542 2.093 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 1293767763 ZJJFMPVBFLTORN-SFTDATJTSA-N 429.561 2.353 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 1296878477 WVTWRRIAUGKOPQ-QGZVFWFLSA-N 443.500 2.086 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1300357014 GXPHMROVIKFMMR-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(=O)(=O)CC 1300574688 GTDHNPPCQCYGTM-UHFFFAOYSA-N 438.557 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc(Cl)c2c(c1)OCCO2 1300665351 ZBFYBMXIRJKIJJ-UHFFFAOYSA-N 442.907 2.238 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)CC1 1300768368 PZZAPCKHCGXPDD-UHFFFAOYSA-N 430.622 2.222 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1300914364 CQUFHUROMZFDSY-IRXDYDNUSA-N 443.639 2.157 30 10 IEEE C=CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC)C1CC1 1301322987 NJDKQSILECVWTI-UHFFFAOYSA-N 428.518 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCCCC2)C1 1301577575 LXDRPJPTNWTGCY-SFHVURJKSA-N 430.578 2.006 30 10 IEEE N#CCCN1CCN(C(=O)CSCC(=O)Nc2cccc(Br)c2)CC1 1302596015 AVROLEORMHDMET-UHFFFAOYSA-N 425.352 2.179 30 10 IEEE C[C@@H]1SCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1305250787 CJXPYPZPJFYLRT-MAVOOCPZSA-N 446.577 2.376 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1358876442 JUXOGBBDSMCAHB-DLBZAZTESA-N 431.562 2.080 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(=O)N(C)C 1358949368 ZVNVDKBQYZAGEA-UHFFFAOYSA-N 432.569 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnccc1OC 1359026132 LVOQFPWPDIZLDA-UHFFFAOYSA-N 431.500 2.055 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1359164660 VQTKTQKMGKVRBD-MRXNPFEDSA-N 427.505 2.460 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(=O)(=O)NC)CC1 1359174735 NMJKIENPWXXNKU-UHFFFAOYSA-N 441.504 2.498 30 10 IEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1360042863 AFEBKPVMXMJVFF-UHFFFAOYSA-N 449.519 2.023 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1360273657 ALLFFUVLFDUOPZ-UHFFFAOYSA-N 437.470 2.272 30 10 IEEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1438015334 CWGBZRMHGMFDOT-ZDUSSCGKSA-N 431.341 2.500 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 1438333816 RDNHAHDCFKDIDV-UHFFFAOYSA-N 436.424 2.414 30 10 IEEE Cc1ccc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1441016188 MSRRDBZOSKRJPY-UHFFFAOYSA-N 431.323 2.162 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 1454242726 SMXPUYHJEGHJEY-OAQYLSRUSA-N 434.475 2.220 30 10 IEEE C#CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1455812199 UMBULWLDYGXURF-KRWDZBQOSA-N 439.553 2.387 30 10 IEEE Cc1cccc2c1C[C@H](C(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)N2C(=O)OC(C)(C)C 1456610826 CLHJNMDXGZUGMC-QXATTWAWSA-N 445.541 2.058 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C1CCN(C)CC1 1462999326 RIOIMGVFDXJXPJ-UHFFFAOYSA-N 447.601 2.042 30 10 IEEE C#CCOc1ccccc1CNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1465189005 XIOJXPUUKYQUKQ-PMERELPUSA-N 434.558 2.463 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1470741003 WCXVHISIXSTKMR-ZDUSSCGKSA-N 431.352 2.152 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)[C@H]3CCN(CC)C3)nnc12 1472597007 KJWMJUVROONANN-INIZCTEOSA-N 440.573 2.265 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1504884963 GONRZDFRUSEOTN-KRWDZBQOSA-N 447.561 2.287 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C1 1505316352 WNGNMBKQQKMTFA-SGTLLEGYSA-N 426.349 2.276 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1coc(-c2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 1507635572 XGJNRAJQFWPLJC-OAHLLOKOSA-N 431.543 2.232 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1nc2cc(OC)ccc2n1C 1507664925 IPRRUBDTEAUXFE-UHFFFAOYSA-N 426.484 2.142 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507745358 XTMKHYPOYYNGDX-QGZVFWFLSA-N 434.587 2.334 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCCn2cnnn2)C1 1510290616 UNVYDUKELCAXST-HXUWFJFHSA-N 425.472 2.203 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513388454 JSSGEZBJXDHCMW-CZIZESTLSA-N 443.552 2.103 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1516979201 GOMSZJJNFKUCDN-RTBURBONSA-N 439.520 2.390 30 10 IEEE C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN1c1nccn2cnnc12 1526360886 BJGFFTWQNGVLOK-CYBMUJFWSA-N 440.305 2.038 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1539407774 OLZPMPNVBDFPCN-UHFFFAOYSA-N 446.437 2.347 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(C)COCCO2)CC1 1539460051 TZMRSYWSOLBWIE-DEOSSOPVSA-N 439.560 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1539482515 MISJCVUKJABRQI-LJQANCHMSA-N 434.588 2.253 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCc2ccccc2)CC1 1539513896 SGGOFYSEHFHAAK-UHFFFAOYSA-N 435.601 2.410 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(N)=O)C1 1539602938 DQAYGLICQRTHAE-CQSZACIVSA-N 444.337 2.127 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1539631520 LSURCNNDMVPJFU-FJIDUMEYSA-N 438.594 2.165 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1540004581 BEQVAWKVQDAZKC-ZWKOTPCHSA-N 425.599 2.450 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C 1540054046 KHTCKDGOHHZYLH-UHFFFAOYSA-N 429.550 2.023 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1540662642 WLFNYKZHXKDKQO-QGZVFWFLSA-N 443.548 2.312 30 10 IEEE CC(C)Cc1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541446846 XCUPRLDXIUNSBG-XKXPVHLMSA-N 442.564 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1542123847 UYKZHQBZWSNUTD-IAGOWNOFSA-N 444.598 2.284 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1544885263 ZCDQWTOGAKAKEM-OAQYLSRUSA-N 447.532 2.391 30 10 IEEE CC[C@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1545648086 CPZHFOLZTCZQFI-ZJYNUGOYSA-N 426.525 2.077 30 10 IEEE C=CCNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1546179633 RUNBYNMIHMDXFA-HNNXBMFYSA-N 426.311 2.433 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCC(CC#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 1548042849 NODOKIBPLPCSPA-HXJXPZHGSA-N 447.580 2.379 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cc1OC 1554849736 HMQVCERWVJWSEG-RTWAWAEBSA-N 431.468 2.210 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)cc1 1555792222 IAKYBSZAYMLYFO-SFHVURJKSA-N 429.546 2.168 30 10 IEEE C#CCN1CCC(C(=O)N(CC)[C@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1557518159 WYXFYXVLNNRPRT-LJQANCHMSA-N 448.608 2.038 30 10 IEEE C#CCN1CCC(NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1558423787 YZMBBDSRWUQHOD-SFHVURJKSA-N 430.553 2.068 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C(=O)OC 1561929538 YSEHTTPPPRLLJV-AWEZNQCLSA-N 434.308 2.412 30 10 IEEE O=C(NO)c1ccc(CNC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)cc1 1568181514 ZOJQXXOMRCJNQQ-UHFFFAOYSA-N 432.908 2.133 30 10 IEEE COc1ccc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1F 1587280658 XULNZEZOFLJXOA-UHFFFAOYSA-N 449.479 2.229 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1587817834 IOGFGQPPJILZJU-GOSISDBHSA-N 433.310 2.480 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1587842053 JQDDJYNEFQKPOS-UHFFFAOYSA-N 440.573 2.322 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1588074607 PBWZSINXIBCUAF-QZTJIDSGSA-N 442.564 2.135 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 1588452122 MYCBODMSRAWVKW-UHFFFAOYSA-N 428.556 2.482 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1594035136 DWZRXSQGQMLBCO-GOSISDBHSA-N 446.533 2.434 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1594616015 NDFVSCLPAWNTFH-OAHLLOKOSA-N 444.565 2.292 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1595171046 PIABMWQQNWZCAK-PMACEKPBSA-N 427.597 2.458 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595659084 RTEWCKPFWIZJKH-OALUTQOASA-N 446.573 2.409 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCCS(C)(=O)=O)n1 1612496310 JNAHTYKMLPPXHP-OAQYLSRUSA-N 447.609 2.485 30 10 IEEE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1616615128 WGAKGDPABJGYIV-IBGZPJMESA-N 443.456 2.118 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1)OC 1619606698 BAVISNFHUBUGDW-FQEVSTJZSA-N 442.564 2.311 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1619613122 MOYCOGKBSPBSQR-JXFKEZNVSA-N 435.525 2.463 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)n(Cc2ccc(F)cc2)c1C 1620628559 PXVCQPXCYJOSRV-HDICACEKSA-N 444.532 2.079 30 10 IEEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(c4cnccc4C#N)CC3)cc21 1622192180 AIPYBZIEACKSCS-MRXNPFEDSA-N 439.541 2.324 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1633294093 IOQVTEAKNHMEBE-SFYKDHMMSA-N 427.501 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1 1635033742 BAKCMQUTUNHLIZ-OAHLLOKOSA-N 441.937 2.252 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc[nH]n1 1635641327 UTYTWNVONPMQJL-QAPCUYQASA-N 438.843 2.132 30 10 IEEE C#CCN(C)CCCNC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1636805470 GLCBMSLHLUALAQ-LJQANCHMSA-N 428.533 2.150 30 10 IEEE CN1C[C@@H](N(C)C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCC1=O 1637952372 LZRURNXHJQGPJU-FXAWDEMLSA-N 426.517 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1638910763 HHUADZPUYPZPAB-PMAPCBKXSA-N 441.532 2.240 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1639607974 DOTPBXQLGFQFMR-RJAWNSLVSA-N 440.500 2.210 30 10 IEEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1640916118 KRHNZGIXVZYVJC-LJQANCHMSA-N 431.439 2.309 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](CC(F)(F)F)C1 1641088440 KMNQDDDVIYFHHE-AWEZNQCLSA-N 447.479 2.465 30 10 IEEE C#C[C@H](CO)NC(=O)[C@@H](C)Oc1c(I)cc(Cl)c2cccnc12 1641574050 DDHHAWYLUKDIBR-NXEZZACHSA-N 444.656 2.370 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1642103373 XHFWQZKMBCKFAC-IAGOWNOFSA-N 427.309 2.123 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N(C)C)c1 1643908925 YKAOOVOTBHPBDL-UHFFFAOYSA-N 435.889 2.299 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@](CC)(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1645916861 LOGHUMHSMIIIQX-NRFANRHFSA-N 436.509 2.054 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC2=O)c(OC)c1 1646250219 APIAMNGKJLFILD-LBPRGKRZSA-N 426.498 2.157 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1C 1647997336 AUWPVMUCBOKQKS-NRFANRHFSA-N 427.526 2.444 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1 1651805611 OVWOHHGTCYLNDP-GOEBONIOSA-N 427.364 2.073 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1663469850 IFIFTWQPTFXTFN-UHFFFAOYSA-N 443.525 2.439 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1 1667321981 KNHNOCVHRJZKME-SZVBFZGTSA-N 425.551 2.181 30 10 IEEE C#CC[C@H](COC)NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1677574285 NBIMTKBGIVNACW-CQSZACIVSA-N 431.352 2.339 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1689848336 STOWFGVVEKCREQ-KRWDZBQOSA-N 449.559 2.438 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1689994163 SIYCFEKLUCDYBJ-PMACEKPBSA-N 433.622 2.122 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCC[C@@H]2C)CC1 1690134655 ABJRQXBXYXYQKL-FKBYEOEOSA-N 444.624 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(CCC)C2)CC1 1690144045 KFSIMZBDPFUEMK-HXUWFJFHSA-N 449.603 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690150263 AUCZLHCWXLLMGW-YLJYHZDGSA-N 441.601 2.447 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690183190 PFMKLHSQOYTLAG-FQEVSTJZSA-N 447.568 2.272 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1690667801 IOQVJNAQBIACRP-QZTJIDSGSA-N 441.580 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1690731179 BTZLDFMLDYERGQ-OEMYIYORSA-N 438.594 2.154 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C[C@@H]1C 1698096516 GIADHXXNAVLRNK-XKGZKEIXSA-N 428.512 2.416 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1Cc1ccc(C#N)o1 1698141085 WOCSIEFQDUVYGD-INIZCTEOSA-N 442.520 2.106 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705496242 CBGZOKFCOQJBEE-SJLPKXTDSA-N 429.952 2.475 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705515830 OCMFVBJRPQTMJU-ULQDDVLXSA-N 430.553 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(CCN(C)C)CC1 1705576685 OXYBYFFNLACNOC-UHFFFAOYSA-N 449.559 2.200 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1705827717 OJZGRUABVPZLEU-INIZCTEOSA-N 427.505 2.358 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1705848205 GQYCHJPGMCZMMD-UHFFFAOYSA-N 427.472 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCc1ccccn1 1705899526 WHYQZXHNRPWDGS-UHFFFAOYSA-N 448.527 2.483 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc2ccccc2[nH]1 1705908641 GDBIIJMIHLWJNE-UWJYYQICSA-N 438.532 2.422 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)O)C1 1705920113 QPSSLATXIYQYPD-KRWDZBQOSA-N 434.562 2.291 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1705948697 CHRZHIALHBIXBA-UHFFFAOYSA-N 426.546 2.350 30 10 IEEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1710802408 BYZOCVNHDMTGRX-LJQANCHMSA-N 437.548 2.244 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCSC1 1711045609 HTFXSPPHGYOYMJ-DLBZAZTESA-N 447.586 2.105 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](F)COC 1722394384 STJMOSGERREVBX-KRWDZBQOSA-N 436.491 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccn(Cc2ccccc2)n1 1722424897 DIISYJDDPYWFPY-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722482608 BZXRLNIIOSIVHW-PBHICJAKSA-N 433.354 2.406 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722531092 HAEGXZJSPNBCQE-GOSISDBHSA-N 447.547 2.253 30 10 IEEE C=C(C)COCCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722536611 PTKVFSZXNHXUSO-XMSQKQJNSA-N 430.553 2.250 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)CC 1722656517 DBOCCQHUGOFGLX-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1722703703 FLGCYBIHJPFNRK-GBXCKJPGSA-N 439.560 2.301 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1722704651 WGWTWSZERVBMBQ-UHFFFAOYSA-N 444.967 2.494 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1729764724 FRTCOUOQTXYGKG-ZOKDDAQRSA-N 427.530 2.117 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1730385420 CKPIRTRSINZOFE-YSOFSAIFSA-N 436.516 2.333 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740567082 NTMLEBWAEPXFAO-QFBILLFUSA-N 449.552 2.409 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1740589807 BQTOQALPKZNCFD-ROUUACIJSA-N 433.553 2.473 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCN1C1CC1 1740632898 YEBXTCGAOXFWNE-XUZZJYLKSA-N 425.577 2.408 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCOCC2)C1 1740751193 YWVCYDOIACUDGE-MSOLQXFVSA-N 449.621 2.500 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2Cc3ccccc3O2)CC1 1740832713 GVFDTSCGJIXKOC-YJBOKZPZSA-N 431.562 2.294 30 10 IEEE C=CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740882009 XELBMJVZIHCSIB-YLJYHZDGSA-N 426.583 2.298 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl 1740940353 BXAOHMSSDRVFDY-UWJYYQICSA-N 433.940 2.429 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1Cc1ccc(C#N)o1 1741685152 XZUSJPVBPXFEEY-HXUWFJFHSA-N 434.500 2.377 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(C(F)(F)F)n1 1742835250 ICJMDEWGTVGZNS-CYBMUJFWSA-N 443.437 2.425 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)C1 1748142957 BJFVALCVTXDXGC-JOCHJYFZSA-N 426.521 2.118 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1748818953 IARTXOBZXJZEDX-QGZVFWFLSA-N 433.603 2.032 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)OCCc2sccc21 1748948866 YZJSOGLCGHUSKO-OAQYLSRUSA-N 431.562 2.052 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1748999238 MTRDAIQDJSMAIP-GOSISDBHSA-N 435.450 2.176 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1749036762 HJXAZCOECRBORA-QHCPKHFHSA-N 436.491 2.375 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@H](C)C1 1749118999 MBQCGJSVRWEIKW-JJTUDDRGSA-N 443.639 2.200 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1749153745 BUNBXZWLGZLFNX-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1749584167 IETIZTBSGPIQTL-GCJKJVERSA-N 427.574 2.332 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1751090308 ASDCOOIDKDCFFW-INIZCTEOSA-N 439.545 2.377 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760187692 DLVPQSFJJUUEFK-QGZVFWFLSA-N 431.562 2.107 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1760258180 QRVRMACLTCEYNL-JOCHJYFZSA-N 439.608 2.165 30 10 IEEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)C1 1760275898 MOAUQTMHBOPQQP-UHFFFAOYSA-N 434.363 2.319 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1760521661 ZXXILJHGSIYRPD-UHFFFAOYSA-N 426.496 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1760523164 OELQVDVDAZMEGF-UHFFFAOYSA-N 449.559 2.092 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCOCC2(CC2)C1 1760527663 FBSPWYUEYSPKPQ-UHFFFAOYSA-N 431.924 2.430 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCC[C@H](COC)C1 1760556387 BYWLPTJIIINWGU-IBGZPJMESA-N 433.578 2.118 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2)OC 1764281525 FNEBYGQKDBGTJZ-QGZVFWFLSA-N 440.504 2.233 30 10 IEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1764481980 DNCYLMNVRHFYRZ-PMACEKPBSA-N 442.589 2.314 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1769123090 XCALAOXDPOAPFN-FUHWJXTLSA-N 438.532 2.178 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1769531060 YTBCGXBZLOSZIA-DLBZAZTESA-N 427.461 2.268 30 10 IEEE C=CCn1nc(C)c(CN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)c1C 1849480401 XEZDOXKNHDEGLD-FQEVSTJZSA-N 446.621 2.181 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CS(=O)(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1851601639 QNCXRDCVFCADRZ-UHFFFAOYSA-N 439.324 2.383 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)c1 1853262181 IWRYUZCLYOGQBP-UHFFFAOYSA-N 445.435 2.192 30 10 IEEE CN([C@H]1CCS(=O)(=O)C1)[C@H]1CCCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1855573327 XLBFHXUVPQEPFZ-YJBOKZPZSA-N 437.949 2.046 30 10 IEEE N#CCCN1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C(=O)C12CCCC2 1856625903 JREFFXLOUBUPOH-MRXNPFEDSA-N 432.908 2.414 30 10 IEEE C[C@]12CCC(=O)N1CCN2C[C@@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1857445512 OMBXBMUWHALSBM-KSFYIVLOSA-N 428.920 2.439 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 1858965053 KQXVFNSZUUAHNS-UHFFFAOYSA-N 449.441 2.134 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 1862626132 VPKPUKRAXUAYMV-IBGZPJMESA-N 426.400 2.269 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCCO2 1862630871 CUOOMZVLEWLWCV-YUNKPMOVSA-N 439.420 2.146 30 10 IEEE Cc1nc([C@@H](C#N)C(=O)CN2CCN(Cc3ccccc3)CC2)sc1C(=O)N(C)C 1872797705 RZMWMNWSNCGIJR-SFHVURJKSA-N 425.558 2.147 30 10 IEEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873594555 WSNFBAWNMOUVKY-GOSISDBHSA-N 426.565 2.306 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccncc1 1874436277 TYUIUTVACXDHNH-ZWGXDWAISA-N 437.529 2.161 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NC2CN(c3ccccn3)C2)[C@H]1c1ccc(C#N)cc1 1891986071 MYTRDMMYLKJACC-FGZHOGPDSA-N 435.553 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060634882 FHLIGCXLHSZEAG-PMPSAXMXSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NC2CCN(CC#N)CC2)CCN(Cc2ccccc2)C1 2060821182 JDZWONROVZMCPF-XMMPIXPASA-N 441.576 2.260 30 10 IEEE C=C(CS(=O)(=O)N1CC2(CCN2C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243415978 GMZOMPJXWHGWNK-UHFFFAOYSA-N 428.360 2.199 30 10 IEEE Cc1nc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247858629 GMCBZROECYZFAL-CHWSQXEVSA-N 437.371 2.394 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917995 HBTAKSGBOYGIKI-UHFFFAOYSA-N 429.351 2.173 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2251295502 TTWONAGHMAQFTC-OMJLJAAMSA-N 438.252 2.107 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)s2)OC1(C)C 2255702042 AEMPPRVMARZDEQ-RYUDHWBXSA-N 444.284 2.425 30 10 IEEE C[C@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255811321 IOCCNPFSECHRCE-AWEZNQCLSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255814822 DXXVGVSSVCYFCV-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2259926598 PIQAWIBTRKVWNW-YEJXKQKISA-N 449.382 2.429 30 10 IEEE COc1cc(CNC(=O)CN(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2260832784 QBUDKSNAHVVHPD-UHFFFAOYSA-N 434.342 2.478 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267089420 DIBDEKVGZVQMRR-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE Cc1cnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2267117810 ZKGNAHZTNRIXCT-UAGQMJEPSA-N 443.353 2.427 30 10 IEEE Cc1nn(C)c(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267139099 BCYZWQGCTOVMLT-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267139686 JTWUWRSQORBKCF-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267265747 KBBKZHFMRHBVBY-TZMCWYRMSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267273611 OZKSYKSPPQKNRF-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 2267527342 GBLIMHWALWQJND-UHFFFAOYSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268791089 XGEBHAYGKMVSEH-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2269763236 ZMKJDYMWWVHCGQ-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE COc1cc(C=Nn2c(CCc3ccccc3OC)nnc2SCC(N)=O)ccc1O 2328682449 YUOOQJWWPHOFIE-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE Cc1cc(C#N)c[nH]c1=NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364301367 XNLYQVUFGUDDJJ-UHFFFAOYSA-N 426.498 2.282 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 29008675 GXJIWJONUUFRGL-AWEZNQCLSA-N 435.452 2.137 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)/C1=C(/O)c1ccc(Cl)cc1 102715098 FTLAPWGSXZKGEK-HQMFNGAOSA-N 427.888 2.489 30 10 IEEE Cc1ccc(N2CCN(CC(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)C2=O)cc1 238823337 DDTGQQLHTXEXQM-UAPYVXQJSA-N 434.500 2.405 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 409725379 HDSZKTBRBMZXBN-GOEBONIOSA-N 443.529 2.402 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C(=O)OC 435952397 ZEZOKWLRQJAVBN-IRXDYDNUSA-N 431.316 2.227 30 10 IEEE Cn1ccnc(N2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)c1=O 465241217 TVVZTYPSNOCZQA-UHFFFAOYSA-N 429.480 2.193 30 10 IEEE CC(C)CO[C@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 466713800 QYHYXIYUUSQXBZ-MRXNPFEDSA-N 433.534 2.181 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CC2 467865580 REHLLAMJEIYHHK-OCCSQVGLSA-N 445.449 2.308 30 10 IEEE C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 471996538 ZNIIXLGESOAHRI-SCLBCKFNSA-N 448.508 2.093 30 10 IEEE N#Cc1ccc(OCCNC(=O)C2(C(=O)NCCOc3ccc(C#N)cc3)CCC2)cc1 475047334 LQJIVOUNEMJWRU-UHFFFAOYSA-N 432.480 2.290 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)nc3onc(CCC)c23)CC1 492454517 AGJDWPSKSXQWLT-UHFFFAOYSA-N 437.500 2.495 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(-c2ccccc2C#N)c1=O 512721172 RYWRKGIWKRPRGS-UHFFFAOYSA-N 431.521 2.105 30 10 IEEE COc1cc(Cl)ccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518622749 XPANFBBNKDWRFA-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1=O 541193883 AQIIHCCMRYFJJC-FQEVSTJZSA-N 436.516 2.036 30 10 IEEE COc1cc(Cc2noc(CCc3c(C)nc(O)c(C#N)c3C)n2)ccc1S(C)(=O)=O 544767698 CEDAEOSDLNSSML-UHFFFAOYSA-N 442.497 2.447 30 10 IEEE C[C@@H]1CC(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 549288769 TZCOMHJGTACJGP-IAGOWNOFSA-N 434.562 2.168 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 570993156 LKEHSYILWUVLOI-JOCHJYFZSA-N 437.496 2.152 30 10 IEEE CN1CCC[C@H]1[C@@H]1COCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 590400364 FWRIXSRQTSSYKX-OALUTQOASA-N 439.516 2.344 30 10 IEEE N#C[C@@H]1COCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 610492611 HNWHFBFRSGGALF-OAHLLOKOSA-N 437.880 2.322 30 10 IEEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 618797887 WSYQWOBXVVAVDG-GOSISDBHSA-N 446.554 2.127 30 10 IEEE N#Cc1ccc(SCC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 728680641 UXUGSZJBULLOMP-UHFFFAOYSA-N 429.523 2.240 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cccs2)cn1 730144439 MCMSARAJDRVNJA-QGZVFWFLSA-N 448.618 2.207 30 10 IEEE N#Cc1cccc(CNC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c1 746538885 ZRXKYSNFSUVKHQ-UHFFFAOYSA-N 439.427 2.389 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758774726 USPMTEJRDUEQJS-CRAIPNDOSA-N 445.520 2.251 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1-c1ccccc1C#N 763009283 XBYXOYHHDPWAHN-UHFFFAOYSA-N 431.839 2.462 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c1 764037301 MFOZWAJGSPJHFQ-UHFFFAOYSA-N 446.529 2.422 30 10 IEEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1)c1cccs1 765547194 JWQFACMCALEACJ-RBDWEEIOSA-N 448.618 2.111 30 10 IEEE N#Cc1ccc(N2CC[C@H](OC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)C2=O)cc1 767319352 YLZSNXWVSNVGEN-AWEZNQCLSA-N 439.371 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 768305118 UYQIJAKSDAWZNJ-JOCHJYFZSA-N 447.557 2.475 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 775919302 ITTQGYJBYBHDFZ-QUCCMNQESA-N 444.532 2.004 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)ccc1NC(=O)C1=S=CC=C1 781602034 PDPHAQXGDZWAEX-UHFFFAOYSA-N 443.481 2.341 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2scnc2C2CC2)c1=O 782597871 HRSXBVCRVAQCFI-UHFFFAOYSA-N 448.573 2.323 30 10 IEEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1CCCOCC1 786310097 CQVYSDICLXJRQB-APWZRJJASA-N 433.530 2.325 30 10 IEEE C#CCSCCNC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 788797001 JEZOBCJVGOMYCS-MSOLQXFVSA-N 431.558 2.336 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 789322483 JZKXZSAZRVDERI-PMACEKPBSA-N 439.560 2.217 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 790677970 JRTSHPORZKEZTN-JPYJTQIMSA-N 425.485 2.095 30 10 IEEE C=CC[C@@]1(C(=O)OCCc2c(C)nc3nc[nH]n3c2=O)CCCN1C(=O)OC(C)(C)C 791873945 LFWRDRNDUXKMLC-NRFANRHFSA-N 431.493 2.158 30 10 IEEE CN1C(=O)N(CC(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)C(=O)C12CCCCC2 791985883 YZQKENUKRUXRCO-KRWDZBQOSA-N 425.489 2.062 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)cc2-c2ccnn2C)c1=O 802723911 RQNQYWCMNYBDTM-UHFFFAOYSA-N 442.544 2.124 30 10 IEEE Cc1cc(I)cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 804647854 DHVGNMARLAPAIM-FOCLMDBBSA-N 425.226 2.455 30 10 IEEE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 805584423 CZCXLMZNUMVHBX-YOEHRIQHSA-N 438.459 2.454 30 10 IEEE C=CCCO[C@H](C)C(=O)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 810732440 KAXLXGMIPJVRCF-MRVPVSSYSA-N 425.232 2.283 30 10 IEEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)cc1 914551672 JTAKEODJKKYJTI-KRWDZBQOSA-N 428.489 2.210 30 10 IEEE N#Cc1cc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl 917846271 UUWWDZXHCMOCAE-UHFFFAOYSA-N 442.902 2.000 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CSCc1ccc(C#N)cc1 919753117 AORLGJOPRCTQML-UHFFFAOYSA-N 446.573 2.329 30 10 IEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCOCC1 1131468778 MHLQTANFSVGLRH-IBGZPJMESA-N 442.940 2.424 30 10 IEEE C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccc(C#N)cc1 1136181996 GVBOSZZMHFKUTE-PIKADFDJSA-N 447.557 2.406 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)c1 1209365792 JXOOEIKVMAUWJD-UHFFFAOYSA-N 428.235 2.467 30 10 IEEE COc1ccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1264683195 XJGZDMBPZLVGBW-MRXNPFEDSA-N 440.887 2.119 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc([C@H]2CCOC2)cn1 1286271763 VHWLZGBZVRGKDG-SJORKVTESA-N 427.553 2.055 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1286404524 SDAUQGBMEUHRQV-XUTLUUPISA-N 434.887 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCOCC1 1286457922 XKBRAQNQKKRPSO-UHFFFAOYSA-N 445.951 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC(=O)N(CC)CC)CC1 1286474971 UEZFEKWDLNNBLM-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1286479579 HLOJWNCDNZKRJM-OAQYLSRUSA-N 437.592 2.217 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1286484748 NZBNAWMKMFPAKR-NTKDMRAZSA-N 436.560 2.281 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(O)c1 1286495729 DAFDLRKOVFMBIY-GJZGRUSLSA-N 437.591 2.158 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 1286506907 PNCGOFWROXUPCQ-HXUWFJFHSA-N 433.622 2.435 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286541079 GOJZCCRNSMNZHY-NWANDNLSSA-N 445.383 2.093 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286550016 YHHWVPUZDYHAHT-QAPCUYQASA-N 426.359 2.339 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1286680081 WPKOFWJGYJVDRC-ROUUACIJSA-N 431.562 2.070 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1286778783 IZOULMXSQDQBJY-UNMCSNQZSA-N 440.592 2.447 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 1286784455 HYNIXELWAKPADK-UHFFFAOYSA-N 431.537 2.489 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C2CC2)C1 1286797946 FFTSLFIYPLNXLN-FUHWJXTLSA-N 425.537 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1286821063 ZLLLQMQZVQLZGW-KRWDZBQOSA-N 448.545 2.138 30 10 IEEE Cn1ccn2c(CCNC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)nnc2c1=O 1288912233 DAFKAAWJAGHNPJ-UHFFFAOYSA-N 432.415 2.204 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1291872506 XCIQXEKNRAVCIM-UHFFFAOYSA-N 441.313 2.084 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)s1 1293846008 XBGHUZQAECBLQP-HNNXBMFYSA-N 443.591 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1300320367 GDOJSUGPNJKEED-MGPUTAFESA-N 435.450 2.309 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2CCN(C(=O)OC)CC2)c1 1300334266 JMOMAZWGFULAER-UHFFFAOYSA-N 438.532 2.375 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(NC(C)=O)nc1 1300654631 BMPRVEUEUOMWSE-UHFFFAOYSA-N 434.500 2.441 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1300805977 MQHMLLZAMFOOCC-BXUZGUMPSA-N 437.310 2.160 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1300895099 MEZOIDSZDOCVFI-UHFFFAOYSA-N 439.564 2.196 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301152140 UVVFSTFKCHOHSQ-ZWKOTPCHSA-N 437.610 2.135 30 10 IEEE COCCn1cc(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)cn1 1301851584 DMTRBIPZDLPANE-OAHLLOKOSA-N 447.503 2.081 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)S(C)(=O)=O 1301986087 CPDTWAOBGVUZMH-JTDSTZFVSA-N 429.546 2.420 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H](O)CC4(CCOCC4)C3)C2)C1 1302916303 ZSRDZVNTJVHKLS-QKBUSNMPSA-N 433.549 2.163 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1303633013 AZLPQPWELMSPNL-IBGZPJMESA-N 446.559 2.371 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CCCS1 1303848084 HKFSOGPMVYFRCA-BMGDILEWSA-N 426.612 2.304 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(=O)NC)c1 1305754074 COGXIRLRVDWCJG-QFIPXVFZSA-N 441.511 2.046 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1313895381 HRGHVVBUCCRXGC-PMACEKPBSA-N 442.589 2.314 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1315813076 PBBULBZYDFETNL-KRWDZBQOSA-N 425.468 2.424 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1315869768 VODLXGDQZGMSQJ-UHFFFAOYSA-N 439.516 2.053 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1358930773 DNKICUSCBVUXMN-UHFFFAOYSA-N 426.540 2.068 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCO[C@H](C)C1 1358941749 WMZSUPNIMOTOIT-QZTJIDSGSA-N 445.589 2.470 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)c1ccco1 1358951820 NBQQZOAHHZSXJP-RUZDIDTESA-N 448.571 2.213 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1358982665 FYZPORWCICDGKT-KRWDZBQOSA-N 446.960 2.408 30 10 IEEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCNC(=O)C1 1359052732 OGNXJFHNLOQWPQ-UHFFFAOYSA-N 429.546 2.045 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1359467346 QWHBFTPZOBDEEA-VHSXEESVSA-N 448.446 2.089 30 10 IEEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1360331350 UBVYVZCDBHSRIC-FDDCHVKYSA-N 444.580 2.363 30 10 IEEE N#Cc1cc(NC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)ccc1N1CCC(O)CC1 1446025192 POZBUBCBBBREJF-DLBZAZTESA-N 427.423 2.442 30 10 IEEE Cn1cnc(CCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1Br 1456422685 BOEMBCZLDJPNJI-UHFFFAOYSA-N 439.354 2.492 30 10 IEEE CNCCCc1[nH]nc(NC(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)c1C#N 1457526642 MANOIYXDXREAPJ-NSHDSACASA-N 431.294 2.260 30 10 IEEE COCCn1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)ccc1=O 1464612263 XHOKDSFIZRAWKW-UHFFFAOYSA-N 431.290 2.204 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1478832759 FURYHLKGLACAOV-SJLPKXTDSA-N 428.537 2.478 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)N2CCOCC2)cs1 1492675449 YUKOVDMORGJSCQ-FQEVSTJZSA-N 433.557 2.187 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCCOC(C)C)CC2)c1C#N 1492728074 RVIAGHQDTRYGKN-UHFFFAOYSA-N 426.569 2.286 30 10 IEEE COCCCN(C)CCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1504815600 CBHPNNZNSDIZQI-NRFANRHFSA-N 438.576 2.445 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1504888200 KZNIXJDGWCCGQF-HXUWFJFHSA-N 440.548 2.033 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(COC)CCOCC1 1507661419 VCPZOGONYRQESC-DEOSSOPVSA-N 444.576 2.225 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1 1507812712 YQUYIOPUCSWKNJ-WWMYMODYSA-N 441.532 2.159 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1507998597 QUZYVKPATDWLFP-DRKIFQHWSA-N 443.573 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(C)(C)C 1508075153 UNAGIGJSQQQUFE-UHFFFAOYSA-N 447.609 2.331 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1508100757 OEOPEWXGBUZUKK-OALUTQOASA-N 446.573 2.409 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1518818773 ZOFJTYHZJKYCMC-UHFFFAOYSA-N 436.560 2.446 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1519369516 LWKQAAIKVOPICD-FQEVSTJZSA-N 435.532 2.457 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1519383997 RSPYFJBALSVGIW-SFTDATJTSA-N 439.516 2.316 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)C1 1521056592 OILNJVUEXFTAFI-KDOFPFPSSA-N 433.285 2.428 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CCO1 1521128624 FPRZOLQFUIRCDX-ZBFHGGJFSA-N 434.422 2.219 30 10 IEEE C=CCn1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)nn1 1527955985 AHZKADFYOVNMSP-GJZGRUSLSA-N 425.386 2.280 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(C)C 1539266904 VFOYLQITDPZUJV-LJQANCHMSA-N 426.542 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1539295542 CEVBRNHBGXKTOB-OAHLLOKOSA-N 449.964 2.062 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COCc1ccccc1 1539370631 YNEUCVFRGMDVHH-AZUAARDMSA-N 430.574 2.493 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC(=O)NCC(F)(F)F 1539400042 YJNJQXMOFGSZCC-UHFFFAOYSA-N 435.406 2.456 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(OC)OC)c2)CC1 1539454159 YSGFQKRSCISOEC-UHFFFAOYSA-N 446.555 2.359 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCCC 1539540525 RSWCUPKPKITWDK-HSZRJFAPSA-N 441.532 2.489 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 1539612133 JFAJMYLVECUMER-RBUKOAKNSA-N 430.597 2.416 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1540006398 SDZAYNDKWGGCFB-IRXDYDNUSA-N 443.639 2.155 30 10 IEEE N#Cc1c[nH]c2cc(C(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ccc12 1540336104 TWPBBXHPCSQZPU-UHFFFAOYSA-N 430.436 2.464 30 10 IEEE C#CCN(CC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C(=O)OC(C)(C)C 1540455335 BAIIUEHEOMGBHW-UHFFFAOYSA-N 444.576 2.194 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540863760 DRWRFTGFFRYBCY-RTWAWAEBSA-N 449.559 2.434 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1540865322 CCODNCAJNKKGTH-UHFFFAOYSA-N 436.516 2.241 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@](C)(CC)C1 1540873718 HIDYTLVZJLAHCE-HSZRJFAPSA-N 427.549 2.379 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1544727515 FTAFZBQQLPJMQW-OAQYLSRUSA-N 435.590 2.335 30 10 IEEE CN(CCOc1ccc(F)cc1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554309593 BXRNTAQVUWGKRE-VZCXRCSSSA-N 440.479 2.336 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCc2ccccc21 1555558696 APZFZCZPWZZCCP-XMMPIXPASA-N 449.559 2.340 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1555707154 KOTNVJNUARYRBU-NRFANRHFSA-N 441.532 2.397 30 10 IEEE Cc1cc(C#N)cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 1584929914 GPHLEAKYAYGPHP-KRWDZBQOSA-N 425.466 2.443 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588029738 LKXBAXCAVZUJBT-OXJNMPFZSA-N 443.573 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)N1CCOCC1 1588149116 FTYAGSJEMNJURG-NRFANRHFSA-N 446.580 2.472 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 1588877060 TVMGEQVVKZWCAH-GOSISDBHSA-N 447.992 2.394 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)CC1 1594237755 VARXLBILXZEXMG-AWEZNQCLSA-N 438.504 2.359 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1594867905 QSPOWKXVZNESTH-VQIMIIECSA-N 447.502 2.206 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1595297359 PHDJVKJIRRYHLT-KRWDZBQOSA-N 426.521 2.124 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1595466429 IWPSXLAWNZSYAX-OAHLLOKOSA-N 445.593 2.341 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595507054 VHLFPFLESYRJQG-KRWDZBQOSA-N 437.504 2.331 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)cc2)C1 1595721320 DLUIQXXNNWPMEI-AZUAARDMSA-N 446.573 2.409 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1612385810 GQBAMKSEGRWGEZ-STQMWFEESA-N 448.574 2.405 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br 1612654131 QUWICFJNKKUJHG-LLVKDONJSA-N 439.264 2.471 30 10 IEEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1615743332 VJNFPEZVIIFLJJ-UHFFFAOYSA-N 444.341 2.446 30 10 IEEE C=CCN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1616306072 UDYOAQGKNNYVER-MSOLQXFVSA-N 425.572 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCc1cc(F)c(C#N)c(F)c1 1617380752 KPRJCGBMWCLKRC-KRWDZBQOSA-N 436.459 2.358 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1619589874 KWASBAIWDRXLRY-INIZCTEOSA-N 428.537 2.362 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619617920 XKYMHVUEZAOSIB-INIZCTEOSA-N 438.463 2.473 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OC)nc1OC 1619980098 CHRBPHBJHDVHTJ-HNNXBMFYSA-N 430.509 2.203 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCC2(F)F)CCO1 1620354414 DPQIMQBWAALXJM-GJZGRUSLSA-N 431.447 2.480 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCNC(=O)C2CCC2)CCO1 1620356576 CCNOTCALVNAJGA-OAQYLSRUSA-N 436.560 2.489 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3c[nH]nc3I)CC2)c1 1626475084 DSJZNVHCDFZKFH-UHFFFAOYSA-N 449.252 2.377 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)c1ccc(Br)cc1 1629571498 MRUCYSQJVBCTEZ-CQSZACIVSA-N 444.257 2.387 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 1630475469 JHHNQSBESLRUPM-KRWDZBQOSA-N 435.864 2.312 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1 1632967254 LHDZHXYPVHVLIO-LJQANCHMSA-N 449.960 2.440 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)s1 1633483103 AOFRAFFYXLUZLP-LJQANCHMSA-N 428.576 2.478 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(OC)(c4nccn4C)CC3)ccc2c1=O 1633683120 AYSWWWDNFYEZBS-UHFFFAOYSA-N 439.541 2.383 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1635079121 OCADFZYMDOTVSS-ZNMIVQPWSA-N 437.990 2.247 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1 1635345695 GURAXPUTBPJKOF-KRWDZBQOSA-N 445.520 2.374 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1637514234 QNHLQSRXTCIWJA-JKSUJKDBSA-N 425.526 2.045 30 10 IEEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1637525067 JCJZJOOFGLFMGB-LSDHHAIUSA-N 438.550 2.035 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)CC2)c1C#N 1638048360 FMXPPDZSTWUBSN-UHFFFAOYSA-N 433.557 2.125 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)c1 1638988539 RQZUSRXKXMPEOT-NRFANRHFSA-N 440.569 2.398 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)cc1 1643004392 KNSCMHMFMYBQLK-IBGZPJMESA-N 429.517 2.481 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C1 1643888243 JHEQUBICZGBXDU-GBXCKJPGSA-N 449.486 2.202 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1644638470 RWWXDGXBIIOFPX-SFTDATJTSA-N 428.577 2.226 30 10 IEEE Cn1cc(I)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1 1646096468 VBQAPERERJECIE-LBPRGKRZSA-N 436.257 2.008 30 10 IEEE COc1ccc(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)cn1 1654672888 PEYNDNMWRAXIMP-UHFFFAOYSA-N 428.514 2.302 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@@H](NC(=O)OC(C)(C)C)C3)CC1 1655415723 MNKQHYPZIIFGNY-MUGJNUQGSA-N 433.597 2.056 30 10 IEEE C=CCn1cc(CNC(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)nn1 1671060306 LJXNWMYNJQUWSM-KRWDZBQOSA-N 436.438 2.473 30 10 IEEE C=CCn1cc(CNC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)nn1 1679526488 SXWAGOXWYSFZFH-HXUWFJFHSA-N 425.514 2.456 30 10 IEEE CC(C)(C)N1CC[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 1683410612 UERRBMNUQFIGNY-GOSISDBHSA-N 441.511 2.096 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1689835885 UNIOVGZVNYRBHQ-AEFFLSMTSA-N 443.573 2.065 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1689855141 OYRXDASIJOMOTA-GOSISDBHSA-N 447.630 2.014 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1689865451 UZYPXMSWKHAWGB-XLAORIBOSA-N 433.553 2.297 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H](F)COC)c1 1689871631 ANEZDWBAQWLFCX-IBGZPJMESA-N 436.491 2.305 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1689916346 HRHXXLWMNLFMPS-INIZCTEOSA-N 441.488 2.025 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689994118 RGZCADCAGZWPHP-SXLOBPIMSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@H]1C 1690047428 QTCXEJGFGKNXRD-VAMGGRTRSA-N 432.590 2.238 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCC[C@@H]1C 1690104372 VCLGHWYTHKVRGP-RXVVDRJESA-N 425.533 2.361 30 10 IEEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)NC(C)C)CC1 1690369509 MWGPHJQXXXQCNA-UHFFFAOYSA-N 447.561 2.201 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1690515209 HXADONVLNDAIPO-SNVBAGLBSA-N 434.385 2.383 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1692577061 AHBMLCDHAUOLBL-LPHOPBHVSA-N 425.480 2.483 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695967858 CBRRXZGYXMUHSB-KRWDZBQOSA-N 427.509 2.282 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1=O 1698074189 BSAHEVBJMHVICD-SUMDDJOVSA-N 426.496 2.106 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1698132975 AGBUYILAPFIVOS-HRAATJIYSA-N 436.532 2.235 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CC 1705480976 ZTCYYJKOOLDKIS-FUHWJXTLSA-N 443.621 2.489 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1705499596 VFWJHSGKLHOVRS-HNNXBMFYSA-N 429.571 2.278 30 10 IEEE C#CCN(c1nnc(CC)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705570362 MLHHDKXVWFKCRP-SFHVURJKSA-N 446.573 2.117 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(OC)ccc2OC)CC1 1705639650 TWTBYKPNBOTOLM-OAQYLSRUSA-N 425.533 2.340 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705659259 PXAWEYANRQTLCT-XLIONFOSSA-N 426.590 2.172 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1705661890 LALIENULUVTDAP-LPHOPBHVSA-N 441.557 2.119 30 10 IEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705724291 DLAPOCBKOGASOJ-GFCCVEGCSA-N 440.426 2.087 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705877413 GNOINMQUXKFTFS-QFIPXVFZSA-N 432.590 2.360 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1705877798 DQAMGSFGILGEOS-AUSIDOKSSA-N 425.533 2.270 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C 1705884611 SXRBWKQVWZBKQS-WMLDXEAASA-N 437.566 2.228 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1Cc1ccccc1 1705894806 LZTSROWVTAWMEE-IBGZPJMESA-N 445.527 2.439 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)C1 1705925100 LDPXBBIMYQWLGH-WOJBJXKFSA-N 446.573 2.178 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCN(C)C2)C1 1705929285 NGRLYMVXEKGNOQ-OFNKIYASSA-N 427.549 2.013 30 10 IEEE CCc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709129134 PJJKMNVKTNAUSA-LURZSEBBSA-N 436.516 2.335 30 10 IEEE CC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709266150 ODISDCFNFGTGES-JROKQLJMSA-N 428.537 2.325 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CCO1 1709326844 BHUZPBNPAFKZMB-MRXNPFEDSA-N 441.513 2.477 30 10 IEEE CNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1711403588 YUOGBTHDZOGYSG-UHFFFAOYSA-N 449.584 2.260 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)NCCC)c1 1722310112 SQZBCAVWCBCUSP-IBGZPJMESA-N 438.532 2.102 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1722310223 JCZVMIVSXSBLSP-QGZVFWFLSA-N 441.532 2.489 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722315313 KYEKMFIIDJSARX-SJORKVTESA-N 427.578 2.372 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722339360 SYIMLDZKZXXYQM-GOSISDBHSA-N 428.581 2.193 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722359197 JHSQRSGUPBLJMA-UXHICEINSA-N 437.525 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1OC 1722394234 PWJMBAKEACKRRI-RXVVDRJESA-N 444.539 2.470 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)n1 1722428527 WZBZMOVSFUTZRO-REWPJTCUSA-N 442.564 2.222 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1722466540 YQHKOGZXLVPRGS-JOCHJYFZSA-N 443.573 2.055 30 10 IEEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC 1722481430 YZYBIIDAUUXWCV-UHFFFAOYSA-N 429.344 2.453 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCSC)CC1 1722565936 GAFCYQDXJWZQFM-QGZVFWFLSA-N 443.639 2.301 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1722867185 FCMSTLLLSHPXJX-SUMDDJOVSA-N 448.568 2.218 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1ccc(C#N)o1 1723600843 LNCMDBCQZQVYOD-CQSZACIVSA-N 440.426 2.477 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1723779823 NZUYUKMKPVASCB-ULYRPOKDSA-N 448.568 2.486 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(SC)CCN(C)CC1 1727608225 ULMPYVCKPXLXSW-UHFFFAOYSA-N 440.621 2.261 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccnc2-n2cccn2)CCOC1 1728752491 BNYZFNMLZFPQAW-HTAPYJJXSA-N 436.520 2.298 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740576294 ZZBWMWITSDMDRO-ZWKOTPCHSA-N 429.546 2.036 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1740618778 BZZGWNHHFUHCJF-IBGZPJMESA-N 444.557 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740636520 SPZNIHIKZLMVNZ-SFHVURJKSA-N 430.516 2.420 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCCCC1 1740637518 DHOSLNCUSVBJHX-LJQANCHMSA-N 432.590 2.240 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCOCc2ccc(OC)cc2)CC1 1740705383 GYUQWUICLCWHMQ-UHFFFAOYSA-N 425.533 2.032 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740710623 BDFSEBRBNKAHBH-KRWDZBQOSA-N 437.610 2.063 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(S(C)(=O)=O)CC1 1740710631 AGOLULPCFHSCDC-UHFFFAOYSA-N 449.558 2.233 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1740756632 JSYKVNIJNZLQAH-PKOBYXMFSA-N 425.537 2.021 30 10 IEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1740863313 VCUBSZFREPHKGU-IBGZPJMESA-N 447.561 2.229 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1740920479 OXHKPRKSZYZLAM-INIZCTEOSA-N 449.602 2.203 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1740962772 NWTPVWDEJSKFCE-XMMPIXPASA-N 439.560 2.381 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(C(C)=O)C2)C1 1740983134 BTFNEORGCJFGFF-LEWJYISDSA-N 441.580 2.180 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4cccn4C)nnc3N(C)C[C@H](C)C#N)cn2)CC1 1746441106 NITGPGYIGZJCOV-LJQANCHMSA-N 447.591 2.465 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC(N)=O)c1 1748774155 UUANOFOVZOJOAB-UHFFFAOYSA-N 443.305 2.018 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748808484 DAAKCDQKPZZPQZ-LJQANCHMSA-N 428.558 2.389 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749235998 YGPUDRNWAWPKJI-FQEVSTJZSA-N 440.552 2.044 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C2CCOCC2)C1 1749676296 LJOGWTHBNIRLAK-FQEVSTJZSA-N 439.560 2.433 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1749934052 XAAPXXVHXAQAJC-NHCUHLMSSA-N 438.532 2.117 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ncnn1-c1ccccc1 1750113456 PQNKSNXQWPLEPZ-UWVAXJGDSA-N 436.520 2.369 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1752305304 TYVJNCWTCLCRGL-NXHAUGRDSA-N 442.907 2.350 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1760229717 CCDZPUFUCGHFIN-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760322792 XOHMCOXTSJRCDL-QKLQHJQFSA-N 427.553 2.219 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1761361688 MXMWKDRIFJLFDY-KSSFIOAISA-N 434.504 2.077 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1762239216 CBEBNUBVQVDPEX-HYFFOGBASA-N 449.575 2.138 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1762309059 KHWCLTDXILTGKD-UHFFFAOYSA-N 442.520 2.095 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1762722167 FJWUUSKXRICYDN-NSHGMRRFSA-N 426.569 2.165 30 10 IEEE CCCN1CCC(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OCC)CCOC2)CC1 1764429766 SEFLTWMOUJQCDT-YADHBBJMSA-N 434.560 2.494 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCO[C@@H]2CCOC2)CCOC1 1767433798 CJCZEPVQRRLKDE-KNQAVFIVSA-N 433.553 2.256 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)C2)CC1=O 1769876676 CJDRWTOHSGDGJQ-FUHWJXTLSA-N 440.573 2.253 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)c1 1848879867 IYXSFNUJBFHUQT-FQEVSTJZSA-N 438.553 2.308 30 10 IEEE C=CCN(C(=O)c1nnn(-c2cc(F)cc(F)c2)c1-c1ccccn1)[C@@H]1CCN(C)C1=O 1850862470 KDMLAVMQTDKYDX-GOSISDBHSA-N 438.438 2.466 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)N2CC(Cn3cncn3)C2)N2Cc3ccccc3C2=O)cc1 1851374266 MSLGBPNVVFXBMF-JOCHJYFZSA-N 426.480 2.396 30 10 IEEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ccccc21 1853614656 LARBLYAMBJYYQN-LPHOPBHVSA-N 432.546 2.263 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CC(C)(C)C(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854651470 VZXHEPYFJNUYMC-GFCCVEGCSA-N 431.436 2.285 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC[C@H](Cn4nccn4)C3)C2=O)c1 1855216036 PDUXREZSOAHXJG-LPHOPBHVSA-N 426.908 2.151 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(O)c1 1862747518 RKLDISRZRPAECQ-GOSISDBHSA-N 425.397 2.015 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759330 OPYYLPMMNAFSCN-QGZVFWFLSA-N 443.368 2.433 30 10 IEEE CC[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1867223725 VXXQGIXUALPXIC-LJQANCHMSA-N 435.528 2.466 30 10 IEEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540912 JALQNSZEWDHRIU-UHFFFAOYSA-N 436.516 2.073 30 10 IEEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575706 NPUMAOVPHKPCKR-UHFFFAOYSA-N 432.916 2.149 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)nc(Nc2ccc(OC)cc2C)[nH]1 1871689891 UUZCHAVTLADLEN-UHFFFAOYSA-N 439.564 2.277 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccccc2F)cc1OC 1874237671 FMAONXDSVKZJDL-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)[C@H]2CCO[C@H]2C1(C)C 1886248637 JQEKPQACQGDXKT-KIMHZCHSSA-N 430.457 2.449 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C#CCN(C)C)CC3)C2)cc1 1890908571 SNRZJKFOHSFPQD-NRFANRHFSA-N 431.602 2.199 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900473806 ACEFTNUWQMRANP-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CCCB1OC(C)(C)C(C)(C)O1 2012024471 JVMPEJKTYBFTSF-UHFFFAOYSA-N 444.403 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CN(C(=O)OC(C)(C)C)C23CCC3)[C@@H](C#N)C1 2018787294 VYUSEYUYALQAGP-KSFYIVLOSA-N 435.569 2.302 30 10 IEEE CC(C)(C)OC(=O)NCCC(F)(F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060624715 BHLGXPJTONQSTC-UHFFFAOYSA-N 442.272 2.264 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c(=NC(=O)OC(C)(C)C)[nH]1 2060633759 RDXDSVCSANUWCD-STQMWFEESA-N 432.330 2.353 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128731688 XWUROPOQUNJTTR-SFHVURJKSA-N 446.353 2.238 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)c3cccc(Br)c3)nc2)OC1(C)C 2158589629 DSAIWFGWOIRBPP-UHFFFAOYSA-N 440.128 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2224096530 HRJUPBOGGZQVCN-INIZCTEOSA-N 433.358 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N[C@H](CCS)C(=O)O)C1 2243699249 DUEWPKLZHGKRPG-MRXNPFEDSA-N 438.546 2.330 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2247905909 KTIUGMZLZWHHQD-UHFFFAOYSA-N 437.371 2.477 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255626919 LYFNTIUBUFGDRB-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE Cc1ccnc(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255638126 IAGPOOCBIIFVAL-UHFFFAOYSA-N 431.342 2.381 30 10 IEEE Cc1c(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832635 OYLCBQYQNJQKSH-UHFFFAOYSA-N 432.330 2.192 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1 2256616080 ZGBCYNHTFQTALC-UHFFFAOYSA-N 434.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256640623 PWTNBLVPKQYYPB-DLBZAZTESA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2259934157 YYERERFEJAQVIX-FPTDNZKUSA-N 431.342 2.301 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 2267146468 KRVXJHIDPZMQDF-HOCLYGCPSA-N 448.373 2.187 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267186316 HYHDMIATPOTTAA-DYEKYZERSA-N 444.259 2.496 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267282024 ZGPFHHAGTPGROE-XLIONFOSSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267519114 FQONCXBYDOVEQT-UHFFFAOYSA-N 444.341 2.101 30 10 IEEE COC(=O)[C@H](CS(=O)(=O)Nc1cc(C#N)ccc1C)NC(=O)OCc1ccccc1 2286045903 UGDZSCKUBVDLDQ-SFHVURJKSA-N 431.470 2.076 30 10 IEEE C=CCN1C(=O)NC(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O 2295880038 BMJHXVKQZWGFME-UHFFFAOYSA-N 445.431 2.139 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2296221437 IPFRHUJZKFJBBU-SQNIBIBYSA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@@H](O)C#Cc1cccc(Br)c1 2313846401 XCCUSJCPYHFJHB-CABCVRRESA-N 432.336 2.099 30 10 IEEE COc1nc(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501371 HZOHHDPEULYVMW-GOSISDBHSA-N 429.248 2.037 30 10 IEEE Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)cc1O 2328554075 LFSSDHFYGUTHIW-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(Nc1ccc(C#N)cc1Br)C(=O)O 2350234845 XPZSSVBEPKSLTR-SUMWQHHRSA-N 426.267 2.480 30 10 IEEE Clc1ccccc1/C=C\C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252632206 VQNDYQDYUOUASP-SXIPJTLWSA-N 429.912 2.309 30 10 IEEE C[C@@H](C(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1)n1cnc(C#N)n1 409854268 JAVCODGTEUEAMB-OLZOCXBDSA-N 430.515 2.450 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)N[C@@H](CC)CO)cc3)cc2C1=O 427949019 WYUWFYIRNNSWPM-KRWDZBQOSA-N 435.480 2.151 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)c1 440377264 HRODSAWPKUFPNM-UHFFFAOYSA-N 445.544 2.136 30 10 IEEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)c2)c1 442079751 HDNCZPAIWNDMPZ-IBGZPJMESA-N 425.510 2.402 30 10 IEEE C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 462098093 BWMNQEUJIGWSNP-CQSZACIVSA-N 439.501 2.272 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2F)CC1 462159422 WHAVJVVRMIKCAN-ZDUSSCGKSA-N 427.318 2.279 30 10 IEEE CC[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 472431294 KKXILBAKKSDEFT-GOTSBHOMSA-N 448.571 2.464 30 10 IEEE N#CC1(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CCN(Cc2ccccc2)CC1 479311297 RNXRNFADKAXWNG-UHFFFAOYSA-N 428.496 2.259 30 10 IEEE Cc1sc2nc(CS[C@H](C)C(=O)N3CCN(C(=O)CC#N)CC3)nc(O)c2c1C 503606633 AWEYEXJDQBLXSQ-CYBMUJFWSA-N 433.559 2.220 30 10 IEEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 504586746 OJWYNZWLUSNVFL-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C1 506332182 MJKBYLGBYRMRES-PMAPCBKXSA-N 434.581 2.087 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC=C)CC1 508795589 OCAKELGOJORYAU-QGZVFWFLSA-N 428.512 2.167 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 524515211 KXNUUHJLPIORDI-LJQANCHMSA-N 437.544 2.351 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccon1 531684618 NHSBZVDZDUWOJA-UHFFFAOYSA-N 445.422 2.236 30 10 IEEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542958604 FOQXAHAXVGAXGG-GOSISDBHSA-N 441.923 2.168 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1C 546874623 ASEPCRIRXKFMIS-UHFFFAOYSA-N 441.557 2.255 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCCCO3)CC2)nc1 549607001 NMEJHKMWRZTQCL-OAQYLSRUSA-N 444.543 2.426 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 558957541 GFIBXXCKOFIINQ-OAQYLSRUSA-N 432.528 2.019 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)cc1Br 567431127 DTEXBUOUFMJWPM-LBPRGKRZSA-N 427.198 2.348 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cn1 609658776 NRUJKDKAHYUQKL-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730139090 PQKJBMTZJPGIAQ-QAPCUYQASA-N 436.553 2.313 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(F)c2)cn1 730144454 MNJRKCFILSISBH-GOSISDBHSA-N 446.552 2.242 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C 731730972 ATQZGRLXXSHHQJ-CYBMUJFWSA-N 427.548 2.138 30 10 IEEE CNc1ccc(S(=O)(=O)NCC(=O)OCC#Cc2ccccc2Cl)cc1[N+](=O)[O-] 746960035 OIUCQQWLKRVSJM-UHFFFAOYSA-N 437.861 2.163 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C#N)C1 749526318 WHFOCMCMMOPOLZ-AWEZNQCLSA-N 427.910 2.085 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1F 756133396 IZHHYOOIINZYFG-AWEZNQCLSA-N 429.477 2.362 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757369058 DFOYYABASSEHRH-NRFANRHFSA-N 438.480 2.375 30 10 IEEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758085300 WEJADPUFBDSRRO-UHFFFAOYSA-N 427.595 2.177 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758767882 GYVORINIQAXNIN-CGTJXYLNSA-N 435.569 2.328 30 10 IEEE Cc1onc2c(=O)n(CN3CCN(c4cccc(C#N)n4)CC3)nc(-c3ccccc3)c12 760550300 GOKUWUCLUVTSDJ-UHFFFAOYSA-N 427.468 2.406 30 10 IEEE N#Cc1cccc([C@H]2CN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)CCO2)c1 761757210 PZWZJDHOPVWDLG-HSZRJFAPSA-N 432.524 2.353 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4nc5ccccc5cc4C#N)CC3)C2=O)n(C)n1 770126368 RZMMXRHFZZCUSA-OAQYLSRUSA-N 429.528 2.466 30 10 IEEE Cn1c(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nnc1-c1ccccc1 771856945 WBQTYSYFVZVAQQ-UHFFFAOYSA-N 439.497 2.044 30 10 IEEE C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 777176465 LSNULKNPVJAWON-CABCVRRESA-N 441.509 2.312 30 10 IEEE C=CCN(CCc1ccco1)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 778996010 JMFZTDSPHJHFGU-ODLFYWEKSA-N 443.569 2.455 30 10 IEEE COC(=O)[C@@H]1CCC[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 785945125 CFIIMIDCDMYGOX-QZTJIDSGSA-N 434.514 2.234 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)n1 788825295 NFCLGZBULGKHSE-UHFFFAOYSA-N 443.301 2.314 30 10 IEEE Cc1ccc(CN(CCO)C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)o1 794315896 DHFJBJKLTUAVFO-SFHVURJKSA-N 433.530 2.062 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC1=CCCOC1 807935834 VFHMZGIAMMNNPI-IBGZPJMESA-N 446.573 2.041 30 10 IEEE CC#CCS(=O)(=O)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 810774357 XYQCXUMYXJWPGP-AWEZNQCLSA-N 429.926 2.469 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)c1ccc(F)cc1 812527732 ZPGCANHAWXJBJI-MRXNPFEDSA-N 430.548 2.022 30 10 IEEE C[C@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1sc2c(c1C#N)CCC2 857968158 FLHHWCSWUIRMKN-QMMMGPOBSA-N 425.513 2.001 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc3c2OC(F)(F)O3)cc1 1131393139 VIVMSEUWZSOWTC-UHFFFAOYSA-N 437.424 2.173 30 10 IEEE C#CCCN(CCOC)C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1167806490 DDQIOCNSYRPWOJ-UHFFFAOYSA-N 427.542 2.247 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3(c4ncccn4)CCOCC3)C2)C1 1178631091 LEHXKKSUGADQTA-PSCUFVCCSA-N 441.532 2.385 30 10 IEEE N#Cc1ncc(N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)nc1C#N 1186526314 DBOLZQIHVJTXRE-DEOSSOPVSA-N 437.507 2.400 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 1228982450 GNNHQUGSOIXFOQ-JXFKEZNVSA-N 428.508 2.049 30 10 IEEE CCN(CC)C(=O)[C@@H]1CSCN1C(=O)COc1cccc(Br)c1C#N 1264947371 CKJCZNGMIHWFKW-AWEZNQCLSA-N 426.336 2.469 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286393658 RGLZQIQAIJKBHS-QUCCMNQESA-N 435.638 2.368 30 10 IEEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCS(C)(=O)=O)CC1 1286662271 DCEQVVJRJKKKKQ-UHFFFAOYSA-N 428.562 2.354 30 10 IEEE C=CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1286736790 IBGBJNDFLHGVHU-UHFFFAOYSA-N 430.574 2.158 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)nc1 1286743656 NXVSTCQJVLYCIH-UHFFFAOYSA-N 428.500 2.413 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1286749229 NOBJYBXBDGVEND-INIZCTEOSA-N 449.602 2.451 30 10 IEEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1291271592 CWWMKPHQJOCCIY-BUNKOAGESA-N 428.537 2.151 30 10 IEEE CC[C@H](C)c1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291499146 CPJAZYRMOVFZFG-YGCDDZCOSA-N 430.553 2.307 30 10 IEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1NC(=O)OC(C)(C)C 1294435721 IDAPUZZDUUTNLR-CYBMUJFWSA-N 434.497 2.352 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1C[C@H](F)C1 1297269846 BFZKORMKMQIJGO-QAQDUYKDSA-N 430.532 2.193 30 10 IEEE O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)N[C@H]1CCN(O)C1=O 1298425661 KJOCJJQPQUHWDG-ZDUSSCGKSA-N 438.303 2.412 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1300308592 CRMHIRPCYUJZSA-XLIONFOSSA-N 425.533 2.359 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300504636 PHYJMLUCAJQYBZ-RBUKOAKNSA-N 446.573 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1300556236 FVNCAWFVLIHBAP-MIZPHKNDSA-N 430.549 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(N(C)C)CCC1 1300654629 BKUUONNXDVGIBV-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1300700578 SKCFZWMHPQXGMG-FQEVSTJZSA-N 439.560 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(CC)CC)CC1 1300723676 ZBFPVLVOYWVLOW-UHFFFAOYSA-N 437.592 2.346 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1300899994 LGNIMHJTQSEFBN-OAHLLOKOSA-N 447.565 2.046 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)[C@H]1CC 1300984235 ZCWUNWGOEIYGJA-HXUWFJFHSA-N 435.532 2.438 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301012587 DDBVBFHWDQHOQE-MRXNPFEDSA-N 429.912 2.114 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCN(C)C1 1301340106 CFESUXBUINGQCH-XMMPIXPASA-N 431.544 2.414 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSCCCO)CCO1 1303001728 IDOYLWOPOXOJHL-INIZCTEOSA-N 439.488 2.391 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](O)c2cc(OC)ccc2OC)c1 1303384940 OZFATQPLXOLBOJ-VFNWGFHPSA-N 431.510 2.353 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC[C@@H]3CCOC3)CC2)c1C#N 1304731208 NHQGKTXMLPZLTF-GOSISDBHSA-N 426.569 2.143 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1312731453 IHLRPAFOKCWMTI-KSZLIROESA-N 434.541 2.383 30 10 IEEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)cn1 1313107268 HWJPYMUEFKMOIX-JCOAXYOVSA-N 440.573 2.259 30 10 IEEE CCN1CCN(c2ccc(Cn3c([C@H]4CCCO4)nnc3N(C)C[C@H](C)C#N)cn2)CC1 1313934413 QPSYDRXGXYWVGS-UYAOXDASSA-N 438.580 2.311 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1314784909 UMAQDSXUSQGBNF-UHFFFAOYSA-N 426.496 2.250 30 10 IEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1315782051 OYJMOMIKMOILRV-HRAATJIYSA-N 429.546 2.114 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1COCCO1 1316099443 BQPOBAOSEVDQOI-GOSISDBHSA-N 437.504 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCCO2)C1 1321325032 MWIIVGZMBKIAOM-DLBZAZTESA-N 446.577 2.199 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358959111 BRJICDFEFIWWFT-LBPRGKRZSA-N 433.843 2.183 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1358959790 PRTFZQPHEPMLRH-AWEZNQCLSA-N 448.961 2.125 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359023032 WJOMIDMIVYDKSZ-CVDCTZTESA-N 425.533 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1359034752 BSVOHJGGDWKXMK-IBGZPJMESA-N 438.532 2.154 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359056427 FKHLNFGLZRGDBN-GOSISDBHSA-N 434.610 2.122 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnccn1 1359133627 WLPJBCVHPVVJRA-UHFFFAOYSA-N 449.563 2.471 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)CC1 1359169465 IXYFOTGFZMWTJZ-HYFFOGBASA-N 433.553 2.357 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)Cc1cnccn1 1359333647 FLBGWJKYCDVQMM-UHFFFAOYSA-N 430.509 2.035 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cnn(C)c3)n2Cc2ccc(C#N)o2)CCOC1 1360325412 DZESANTZDMHDPZ-OAQYLSRUSA-N 425.493 2.202 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CC2CCC2)CC2CC2)n1Cc1ccc(C#N)o1 1360666661 RTSQBNCILWYWQK-AWEZNQCLSA-N 432.550 2.418 30 10 IEEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CCCC1 1437730377 VYGNZZFSAPSOFC-UHFFFAOYSA-N 438.546 2.343 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H]3CN3CCOCC3)C2)C1 1444985770 FVPVJAVGKJGVLL-ZVLZEYJHSA-N 432.565 2.096 30 10 IEEE Cc1ccc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1452539771 HZVUNGOYQCWEPY-UHFFFAOYSA-N 448.545 2.021 30 10 IEEE Cc1ccc(CCC2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 1460877460 CRPCIYBMVSWATG-JTHBVZDNSA-N 429.586 2.036 30 10 IEEE N#Cc1ccc(F)c(CNS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 1463174757 FKHUZZDBSFOCAY-IBGZPJMESA-N 447.488 2.154 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)s1 1464063132 CADQLFGJXYXTPO-UHFFFAOYSA-N 429.527 2.154 30 10 IEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 1465553475 BNLDXSGYMAPVCC-VGMNTSGFSA-N 434.464 2.419 30 10 IEEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1471526475 PBXHZWFSARODKT-SNVBAGLBSA-N 437.333 2.437 30 10 IEEE C#C[C@@H]1COCCN1CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OC(C)(C)C 1473539605 KDIQYWWNBXWUPK-CQSZACIVSA-N 436.530 2.461 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1503257627 JPQUEXKQUOHPQQ-IBGZPJMESA-N 443.573 2.383 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1504888324 OCMHYDXBULEAIS-DLBZAZTESA-N 444.502 2.423 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1507514245 CGMGQKDWWMGAHY-JJRVBVJISA-N 439.969 2.387 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1cc(CO)nn1 1507519655 IYQJMNSMSAGTEY-QGZVFWFLSA-N 430.516 2.434 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507569959 AEFOUWBJHJPOLK-SFHVURJKSA-N 426.496 2.356 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507577561 RFOIPJSDXNNMRP-UHFFFAOYSA-N 432.528 2.305 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1507623195 PNNVJBQVXUSBAM-SJORKVTESA-N 428.558 2.379 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507638357 PUIACJAYMGPJEO-QZTJIDSGSA-N 438.594 2.209 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1507811751 UNKNPIIRNAQQSV-VGOFRKELSA-N 441.532 2.125 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ncn(C)n2)CC1 1507876806 VSYIEQDVLIEJFB-UHFFFAOYSA-N 426.912 2.195 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1507992296 AVTNXCZACNXXGK-LSDHHAIUSA-N 447.527 2.219 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508075196 WIROALJDTSTAAW-LPHOPBHVSA-N 444.967 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508137116 KEWVELZBXSMWAK-GOSISDBHSA-N 441.561 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1508139048 CTZRDPSUNUORCD-CABCVRRESA-N 442.545 2.429 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 1508148229 QGFLUODENDFEAI-QGZVFWFLSA-N 434.566 2.280 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1cccc(C(N)=O)c1 1508998434 AMYNOTHBBFBNPB-UHFFFAOYSA-N 444.543 2.336 30 10 IEEE CC[S@@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1516852658 CYDBVQOVJGEOHW-UOXLDJKESA-N 427.372 2.411 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1516948544 FZFMVMLRWGUZQO-XMSQKQJNSA-N 426.496 2.168 30 10 IEEE COCCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1519347185 LQKNYLBFLDPPDN-HXUWFJFHSA-N 434.500 2.066 30 10 IEEE CCOC(=O)Cc1csc(N(CCN(C)C)C(=O)c2cc(C#N)cc(N(C)C)c2)n1 1532416357 DVBBMARNGCWOMH-UHFFFAOYSA-N 429.546 2.395 30 10 IEEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1538712215 IYPACZOLVYKWBC-UHFFFAOYSA-N 443.504 2.165 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539375689 FPFFDFFBRBHDNW-IBGZPJMESA-N 431.544 2.392 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNc2ncc(Cl)cc2Cl)CC1 1539469334 RPNSZSCYSGFQLD-UHFFFAOYSA-N 436.347 2.366 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COCC 1539538685 LPFCRAKFCDPDIP-VGOFRKELSA-N 445.589 2.465 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C)C1=O 1540191277 JIDJKXLAKNSFEZ-SFHVURJKSA-N 437.342 2.153 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C)CC1 1540897210 DEDJCUKRCYKTKL-INIZCTEOSA-N 425.599 2.424 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1540907948 NHSMTAJTILGGDW-QGZVFWFLSA-N 434.610 2.176 30 10 IEEE CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1541596882 QVOKIZGIXBQRGN-KRWDZBQOSA-N 426.521 2.378 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOc1ccccc1 1541926800 YIRUTSIXKVDBHV-QGZVFWFLSA-N 446.577 2.487 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2C(C)=O)C1=O 1545003173 WXAXHXOOVOPOHG-HSZRJFAPSA-N 434.452 2.484 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1548322158 HOZAPVGGADNIBH-IBGZPJMESA-N 447.561 2.169 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1[C@@H]1C[C@H]1CF 1555660475 DDGSLFJXMKZVGV-BPQIPLTHSA-N 429.500 2.126 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1555988487 DSNSPIWANWLELY-HNNXBMFYSA-N 429.431 2.040 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(F)(F)F)c1 1558064537 WCTJXCLETIXBFI-QGZVFWFLSA-N 436.415 2.407 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(CN3CCNC3=O)CC2)CC1 1564600903 BCAZJORWLLHVEK-UHFFFAOYSA-N 426.521 2.090 30 10 IEEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCc2cc(F)c(C#N)c(F)c2)CCCC1 1567951856 RSVQQVAAPUUUKK-UHFFFAOYSA-N 438.456 2.349 30 10 IEEE COC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCC1 1584480458 DXLBLTRWVPTPEZ-FQEVSTJZSA-N 447.557 2.197 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1587701742 JJZPXSKYUHTSIC-IBGZPJMESA-N 425.537 2.112 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1588659256 GSBQEMHKQLDVGV-UHFFFAOYSA-N 425.924 2.194 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@](C)(O)CC)CC1 1588871583 IPGXVHKMTLAYEM-HSZRJFAPSA-N 427.549 2.172 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1589381431 BTEBDDJYTURPNO-RDJZCZTQSA-N 448.369 2.191 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOCC)CC1 1589516200 YALBQLBWXQIPNN-PZJWPPBQSA-N 426.565 2.480 30 10 IEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1594687785 YKSVNJZBRLDNPW-UHFFFAOYSA-N 428.356 2.247 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1594812462 GLCBZWAARLQPGD-LJQANCHMSA-N 430.553 2.383 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1nccs1 1595551598 SEICPRDDYKHYLO-INIZCTEOSA-N 426.502 2.186 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1595844573 DNJRFZGTSKOQDR-RHSMWYFYSA-N 431.653 2.141 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595854839 OTUIJGRBEUGRMP-KRWDZBQOSA-N 428.562 2.429 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@@H]1CCOC1 1597124378 KLMBXEOYCXZNQI-LJQANCHMSA-N 439.564 2.364 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1c(F)ccc(S(=O)(=O)NC3CC3)c1F)C2 1603038638 AXOWPATZLJLDQG-UHFFFAOYSA-N 438.481 2.119 30 10 IEEE CC(C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1609522210 BLCWCZJAGQHKJA-UHFFFAOYSA-N 446.515 2.348 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)cc1C 1612103346 RHDCEWZQSUGING-MRXNPFEDSA-N 447.499 2.327 30 10 IEEE C=CCOCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC=C 1613303281 ACJFMPXQQGXSCQ-UHFFFAOYSA-N 436.559 2.404 30 10 IEEE CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614531035 YJUULYFHNRXAQB-HKUYNNGSSA-N 442.568 2.042 30 10 IEEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1618265798 KQKIGVXGUIHHEH-KRWDZBQOSA-N 444.532 2.063 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 1624727808 LBEKDBCRVUVFFJ-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)C1 1628306859 UMOUYWSZSSJYSN-KVQOCUKLSA-N 439.578 2.245 30 10 IEEE CC[C@@H](C#N)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1629364812 NEJJDHNCMRZAML-ATTDUZETSA-N 433.486 2.415 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](Cc3cccc(OC)c3)C2)c1 1631059624 FOUVEKHOFVZRQP-HXUWFJFHSA-N 426.538 2.149 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC[S@](=O)CC(F)(F)F)C2)C1 1640357895 YDNKTWPOEVNBEY-GZQYGGSQSA-N 437.484 2.200 30 10 IEEE N#Cc1ccn(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(=O)c1 1641285881 FWMHARWSJNGTKD-UHFFFAOYSA-N 425.798 2.136 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1642353178 NDWKEHBOZAFUIE-QGZVFWFLSA-N 438.550 2.188 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(C)[C@H]3CCC[C@H]3C#N)CC2=O)cc1 1643437906 HQXILFXILNMJDY-QKLQHJQFSA-N 446.573 2.221 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 1646096928 HRCLJRZYDVNOPJ-CQSZACIVSA-N 430.461 2.009 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1653544046 KBHZFHPYELKNKL-MRXNPFEDSA-N 426.485 2.054 30 10 IEEE C#CCNC(=O)C1CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)CC1 1658988563 RIDOEPKVUATUIZ-UHFFFAOYSA-N 430.549 2.298 30 10 IEEE C=CCN1CCC(NS(=O)(=O)c2ccc(OCCOC)c(Br)c2)CC1 1661393783 DWDOKKJKMRCUJW-UHFFFAOYSA-N 433.368 2.403 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)C(=O)OC 1665501135 NATAMLSZHYNSNA-CQSZACIVSA-N 436.324 2.260 30 10 IEEE COc1ncc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1Br 1674841663 HBJPHUUSEFDDJF-UHFFFAOYSA-N 448.325 2.429 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@@H](Oc3ccc(C#N)cn3)C1)CCS2 1676613514 BSDACVMMFPUSIP-CXIVCQEWSA-N 430.530 2.333 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1684225715 HYLVQAMXHGINCN-DNQXCXABSA-N 433.556 2.457 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2ccccn2)c1 1689871843 GQNXGAXHYGCATA-IBGZPJMESA-N 430.512 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(N)=O)C1 1690251642 XLUQUBAJNIEMKF-IPJJNNNSSA-N 439.560 2.365 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C)C1CC1 1690537928 XTPSKPCDKUKFQB-IAGOWNOFSA-N 444.605 2.494 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C3CCC2(C)CC3)nnc1[C@@]1(OC(C)C)CCOC1 1690731794 QIQFKHAHSWWPLZ-FBPXKMNZSA-N 438.594 2.441 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691561209 UCBOFMISMTUTMP-NYHFZMIOSA-N 426.521 2.114 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](C)N2CCOCC2)CCOC1 1692584274 UXIYHVWOSOKZHB-XXBNENTESA-N 446.596 2.169 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1693691685 LSAUXVWGLHJRSY-HOCLYGCPSA-N 448.369 2.259 30 10 IEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)CC(F)(F)F 1696800748 HXRSYLNCRIEMIX-UHFFFAOYSA-N 449.481 2.403 30 10 IEEE COCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1697970813 LENWERRAIBGHJM-UHFFFAOYSA-N 446.577 2.362 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCc1nc(C)no1 1698241213 AUWOLWLQWBRNSG-WMZOPIPTSA-N 429.525 2.456 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705533370 MCWNMDNHUGVACF-QGZVFWFLSA-N 426.496 2.117 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705566380 NGKBZBVZBUNUOI-OALUTQOASA-N 432.521 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC12CCOCC2 1705575916 CKAGEHFUBTUZIQ-IBGZPJMESA-N 438.553 2.238 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCOCC1 1705619119 HXEFPMOWEXLDTM-UHFFFAOYSA-N 448.502 2.401 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1705628537 KCLKUBDFGKHPIL-RBUKOAKNSA-N 445.589 2.003 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705664570 SXMSASAWSGBFHC-QFIPXVFZSA-N 438.557 2.058 30 10 IEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705731813 DKBXSDYDTHJMKS-UHFFFAOYSA-N 427.549 2.395 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CC2)C1 1705917657 XKWQUNRPSJHDAR-CJHUWTACSA-N 438.594 2.011 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705937611 YYVLPFLADSJDIY-APWZRJJASA-N 436.553 2.467 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1722295707 VIPANCQPALEKCG-JKSUJKDBSA-N 428.541 2.027 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722301462 BOBBXARZOQZRCJ-RBUKOAKNSA-N 445.589 2.213 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(OC)CCCC1 1722346652 UWFZHAPDHKTJJE-UHFFFAOYSA-N 431.562 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCN(CC)C(=O)OC(C)(C)C 1722395512 GSFFNEKQNDPTLX-UHFFFAOYSA-N 425.537 2.399 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CSCCS1 1722407240 HXJGFZULJGMBTO-QGZVFWFLSA-N 426.575 2.229 30 10 IEEE C=CCCCCn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722601811 WKWYLBNIPGCQGN-ZACQAIPSSA-N 439.582 2.069 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1724473869 OKJYXEDIYFUYMZ-MEUCICPISA-N 439.545 2.117 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccc(F)cc2)CCOC1 1728816179 HOCRPPXWBGTOQV-UGKGYDQZSA-N 445.495 2.267 30 10 IEEE CCOCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729140158 PEPMKTOCTBOKIE-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2CC(=O)NCC(F)(F)F)cc1 1731180749 LAMWXTKRKNLLHO-UHFFFAOYSA-N 436.438 2.237 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740594373 KMQGWGULRPAEEZ-BGYRXZFFSA-N 442.608 2.140 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1740626854 NSJBYNFDKGLHIT-FQEVSTJZSA-N 429.590 2.440 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)OC 1740676698 KNVZZWUJWMBSBD-IEBWSBKVSA-N 434.537 2.384 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(SC)CCOCC2)CC1 1740695198 ISGBILDMUMOEPW-UHFFFAOYSA-N 426.590 2.316 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1740756186 OERXOWJMQCGKIF-YLJYHZDGSA-N 429.521 2.123 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(CC)c1 1740792014 DVULUXBVWNOBAW-UHFFFAOYSA-N 427.509 2.451 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1740882421 KOZJGPVZXHIJLL-KRWDZBQOSA-N 441.532 2.401 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740933448 SPTRDPNQLQGMMZ-QFIPXVFZSA-N 441.557 2.078 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1740934233 AJDSXVHMBOZTLD-UHFFFAOYSA-N 439.560 2.177 30 10 IEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1741630707 FDKGTKIVDBARMZ-UHFFFAOYSA-N 434.548 2.235 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1742172521 IKXBDDLCXZTPQZ-UXHICEINSA-N 441.532 2.398 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1746985200 ADEVBRHYPHMKOX-LJQANCHMSA-N 426.521 2.212 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1748698694 WPISVXFFTRDZMV-AZUAARDMSA-N 430.597 2.157 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c(c1)CCO2 1748948590 SLAHIIQXLWAETR-UHFFFAOYSA-N 446.511 2.189 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1CCN(C(C)=O)CC1 1748955912 BFCUCLRGDTXCCT-UHFFFAOYSA-N 425.533 2.298 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN2CC)CC1 1749000148 ORQVDVFPHIEBMY-LJQANCHMSA-N 426.540 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1749009432 ITERYBFWUMMBHO-WJOKGBTCSA-N 439.585 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(C(C)(C)O)c2)CC1 1749019456 UVESCKIOCDYNBA-UHFFFAOYSA-N 439.560 2.056 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC 1749133401 LLYBYIVJMKFGLD-AYBZRNKSSA-N 430.578 2.330 30 10 IEEE C=C(C)COCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1749241028 CNXNJEWPWMYOGK-LJQANCHMSA-N 432.613 2.301 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749452145 PEELSCDHUOWOGQ-HXUWFJFHSA-N 425.581 2.149 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749459700 QFADYALHDJLBHM-FQEVSTJZSA-N 441.580 2.324 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1749676213 IYFKNIOESLHGFP-RTWAWAEBSA-N 427.512 2.310 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2c[nH]nc2C)C1 1749693737 MMRUUTNWCZTSOH-GOSISDBHSA-N 436.520 2.371 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CC[C@H](C(F)F)N2CCOCC2)cc1 1750383095 OMRWYSPUQYSGLZ-LJQANCHMSA-N 446.502 2.399 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1760202748 MISPDOBLOLNGOQ-QFIPXVFZSA-N 431.540 2.416 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2c(C)nn(C)c2C)CC1 1760262736 YDHBJHBHXQFVHC-UHFFFAOYSA-N 433.560 2.031 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCOC2CCOCC2)CC1 1760266350 WQTVZUHNODLEFB-GOSISDBHSA-N 431.581 2.343 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760345631 KXQQIJQEYGMCBF-NRSPTQNISA-N 430.597 2.475 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC(F)F)c2)C1 1760534271 UPRIRROBXBHUGF-OAHLLOKOSA-N 436.463 2.242 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC2CCOCC2)CCOC1 1761291783 ONJYVZFGZCUGBR-UGKGYDQZSA-N 433.553 2.254 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)C1 1765672155 JGKKETBFEBYSRK-GOSISDBHSA-N 446.577 2.150 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1cccs1)N1CCOCC1 1767841305 DVODHTOJQVABPP-UZLBHIALSA-N 434.541 2.392 30 10 IEEE CN(C)CCOCCn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1768520922 CUKLSKXURFPVRR-UHFFFAOYSA-N 443.571 2.491 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1769508374 BJFGPHNZFVXEBI-ZWKOTPCHSA-N 426.477 2.475 30 10 IEEE COC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCCCC1 1769783843 DRLRZKHRBFOEEG-XMSQKQJNSA-N 433.553 2.397 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770129029 UIQPQJKZOIVSRP-SFTDATJTSA-N 441.532 2.112 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(S(C)(=O)=O)CCCC1 1770171488 FCIUUTGLALBNEK-ULQDDVLXSA-N 439.582 2.098 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C1CCCCC1)N(C)C 1771222453 IIRUNYXDCWKNRW-HOJAQTOUSA-N 434.585 2.241 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1771360668 DBCHMYCTAWOUKP-MRXNPFEDSA-N 436.488 2.086 30 10 IEEE Cn1ccnc(N2CCC[C@@H](N(C(=O)CC#N)[C@@H]3CCCN(Cc4ccccc4)C3)C2)c1=O 1853487947 NWNCVRWHGAYIPT-FGZHOGPDSA-N 448.571 2.156 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4csc(C)n4)CC3)CC2=O)CC1=O 1853643479 NWERMVQFTFUXSH-QZTJIDSGSA-N 430.574 2.073 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H](C)n2cccn2)CC1 1855572727 LBQDTKJERAJIGX-MRXNPFEDSA-N 428.514 2.291 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](C(=O)Nc3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1858374913 SBJIEDUKEVDNMF-SFHVURJKSA-N 440.525 2.218 30 10 IEEE CCCCc1cc(O)nc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4n3C)CC2)n1 1859428114 KRMOBNCNFAYRHN-SFHVURJKSA-N 447.543 2.410 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1OC 1862567208 NLRDTHRVPYFDRV-BLVKFPJESA-N 442.468 2.254 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)c1 1862741189 MORKZSTUKYNPQD-LJQANCHMSA-N 439.424 2.318 30 10 IEEE CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccccc1C#N 1866638837 TVEFOXDPFSKNKC-QGZVFWFLSA-N 428.514 2.264 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(F)cc3)CC2=O)cc1 1870110874 MKISBCJBOWCIKJ-OAHLLOKOSA-N 434.431 2.337 30 10 IEEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN1CCN(CC)CC1 1870442390 UYGQBWITNBMQFN-UHFFFAOYSA-N 448.571 2.391 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCc1cnc[nH]1 1870528487 OGCOUORBWXVVBX-GOSISDBHSA-N 427.549 2.282 30 10 IEEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561612 SCELWKZGPTYNHR-UHFFFAOYSA-N 445.571 2.332 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccn2)cc1OC 1874200142 MQPJDGIKILETIE-ZMOGYAJESA-N 440.529 2.325 30 10 IEEE COc1cc(/C=N/n2c(Cc3cccs3)nnc2SCC(N)=O)cc(OC)c1OC 1874412948 UFMNGLKXICZMBL-UFFVCSGVSA-N 447.542 2.416 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1890811323 DPPPYXSPMZEWBI-HXUWFJFHSA-N 443.544 2.474 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C 1993239926 HOEXATYCCYVWNZ-OAQYLSRUSA-N 427.542 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060623598 NNXZKVBACQZWDP-OAQYLSRUSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124541999 YTXGQBFVKBTYGC-HNNXBMFYSA-N 445.329 2.301 30 10 IEEE C#CCn1ncc(N[C@@H]2[C@H](NC(=O)OC(C)(C)C)C[C@H]2OCC)c(Br)c1=O 2162352746 QFBLYLKCTNMRIU-UXIGCNINSA-N 441.326 2.122 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243416397 FBOXGKYQMRTYKF-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1 2247551221 CUXBBSSWVKACRW-PNBPBRNGSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2247832856 WRDSEGNMWAQLBO-UHFFFAOYSA-N 437.371 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2247922834 OCIGGIQUBVHWTH-KBPBESRZSA-N 435.355 2.276 30 10 IEEE CN(CC(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248445946 UBEUQAGSLQRQJQ-UHFFFAOYSA-N 440.375 2.091 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2249675870 LEHXNLDSKITJKU-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2250290599 UMDKNRGEDXZVJN-STQMWFEESA-N 437.371 2.475 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2255698718 SAVSXKFYNREKFO-PEBXRYMYSA-N 431.342 2.064 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)s2)OC1(C)C 2255704800 MQBMDWUZEJQIKF-QHCPKHFHSA-N 442.390 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255812654 OGTRRTOQSDBGHB-BFHYXJOUSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C1)C2 2267092964 PSRROBGKVUBJER-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267133641 FAIMDVTWVQWPRI-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)[nH]n2)OC1(C)C 2267142522 VTNKODPAEYECHJ-MOPGFXCFSA-N 436.365 2.303 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183170 LXXUFWRSTMTKCC-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2267197048 VJHHGIWTGUVCJB-HNNXBMFYSA-N 446.357 2.108 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267504188 OROQPCZKFPQLLR-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268630352 JKBIUXWFGZIMJB-UHFFFAOYSA-N 446.353 2.057 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268678155 YFYMRFVGWCRWJX-PBHICJAKSA-N 447.341 2.344 30 10 IEEE COc1ccc(C=CC(=O)N[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C(C)C)cc1 2297492700 CIBCZTRDGKBJCF-GMAHTHKFSA-N 427.501 2.201 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(NC2(CCO)CN(C(=O)OC(C)(C)C)C2)n1 2315392758 ULFLQOZHQFFIIU-UHFFFAOYSA-N 433.358 2.473 30 10 IEEE O=C1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)cc2)CN1Cc1ccccc1 2325924978 MMKBEYUTBPHWPF-SFHVURJKSA-N 437.525 2.466 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2337181638 PJGNQAOASVGYEJ-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@](NCCC#CBr)(C(=O)O)CC12CCOCC2 2349189650 UYUYIDVDNOFANT-SFHVURJKSA-N 431.327 2.335 30 10 IEEE CNC(=O)CCSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253568262 KZJSUATYNXUCMS-CIAFOILYSA-N 427.538 2.039 30 10 IEEE COc1c(F)cc(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1S(N)(=O)=O 441808374 BDWOIXWHEOUCIF-UHFFFAOYSA-N 447.366 2.433 30 10 IEEE CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 480847995 CEDPERPETFZTOP-UHFFFAOYSA-N 446.504 2.041 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C 508167326 FPCBNMWNFARXBD-UHFFFAOYSA-N 427.310 2.176 30 10 IEEE CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513789552 KFDFIWNXQGBCPJ-OAQYLSRUSA-N 427.482 2.198 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cn(CC)cc(Br)c2=O)c1 544629154 JODVDHJMMGKZHG-UHFFFAOYSA-N 440.319 2.347 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 549326196 KFJAZJZGOYAKAT-IBGZPJMESA-N 429.496 2.352 30 10 IEEE C=CCN(CC=C)C(=O)N1CCC[C@H](NC(=O)CCCN2C(=O)c3ccccc3C2=O)C1 585968338 IAFAZGJCWDCNMQ-SFHVURJKSA-N 438.528 2.437 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 607947589 ZQQDHECDGRHFGB-SFHVURJKSA-N 440.565 2.353 30 10 IEEE CC(C)[C@@H](C)NC(=O)C1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726591687 FIRBRARJWKGGRK-QGZVFWFLSA-N 425.533 2.153 30 10 IEEE C#CCCNC(=O)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 733673964 BRZGDPKCYFSLJM-UHFFFAOYSA-N 447.900 2.074 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC2CCC(C(N)=O)CC2)c1 735864143 UOEXNRMIYIPFKV-NCELDCMTSA-N 449.577 2.445 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 744006010 BWPXPZQIFFBMQD-OAHLLOKOSA-N 441.538 2.426 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 754817787 OLXRYRJQNHBTST-UHFFFAOYSA-N 437.518 2.101 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)c1 755484632 GCKUGKZLMVYKHQ-SFHVURJKSA-N 442.537 2.252 30 10 IEEE C#CC[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757426480 GIQFTNNGDUKGSW-YADHBBJMSA-N 449.507 2.048 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758775445 WYXXWRDONHJWKZ-DGCLKSJQSA-N 430.431 2.339 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 779856120 ZRHMMQWYOZYNQW-GAJHUEQPSA-N 428.533 2.266 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C 782396407 LZYACOCFESRKTD-LBUQITIBSA-N 437.537 2.390 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1OC 783548126 ZWKQIFINFPJGQG-QRQLOZEOSA-N 434.558 2.186 30 10 IEEE COc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)cc1OC 789968930 RWZMCDIIDBSHCQ-OAHLLOKOSA-N 428.518 2.324 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(C2CC(N3CCCCC3)C2)C1=O 794441111 MGPHUHZQMBZXQI-YCSIJZTPSA-N 429.590 2.077 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nccn3C)[nH]n2)cc1 801615581 AQBYBWYZWZABFS-KOEQRZSOSA-N 442.505 2.267 30 10 IEEE CCCn1nc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC)c2ccccc2c1=O 801885026 NPUWQUMJKQDVMD-KRWDZBQOSA-N 432.532 2.261 30 10 IEEE C[C@@](C#N)(NC(=O)COC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)C1CC1 803921434 MDFZGXPFQOJUDK-AQKFKSFVSA-N 426.448 2.441 30 10 IEEE COc1cc(CNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C#N 811710968 XLCONLOBUXNGOL-UHFFFAOYSA-N 446.554 2.074 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 916776026 OIJGTUDMQXYHFF-LJQANCHMSA-N 441.509 2.208 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 1141901992 VPZMGNRAYBVOKC-UHFFFAOYSA-N 430.501 2.389 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 1150845653 RXYGPDWZPKAEPA-ZWKOTPCHSA-N 428.514 2.267 30 10 IEEE COC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCSCC1 1155100680 QBTHYSKSEBXEBG-CHWWFWEZSA-N 437.562 2.328 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1166609772 MIOKNAVJNOFUQE-JHJVBQTASA-N 441.472 2.007 30 10 IEEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1 1251142834 BXECLJAMUCYTCY-KKSFZXQISA-N 448.531 2.212 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1286277561 ZWJJKKKIJBORFZ-MHECFPHRSA-N 439.560 2.379 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1286282646 ODBATRGBRVTJNP-XIKOKIGWSA-N 443.356 2.259 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286394886 XRPJYJGKXZFZRC-IBGZPJMESA-N 434.606 2.333 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286396488 VRPRTAGBKLGXHO-PMACEKPBSA-N 443.573 2.093 30 10 IEEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1286632374 ACNVCWUUDUADNP-UHFFFAOYSA-N 446.983 2.485 30 10 IEEE C=CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1286691253 DAQXXHATXLNLSA-CVDCTZTESA-N 447.580 2.114 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3[C@@H](C2)C3(C)C)nnc1[C@]1(OC(C)C)CCOC1 1286825926 ZRRXOZQNSPOQPS-LZJOCLMNSA-N 438.594 2.012 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1)N(C)C 1288614436 FVEQSNGSDLOXCV-MRXNPFEDSA-N 435.511 2.023 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCOc1cccc(Cl)c1 1288772080 DFLRDGWNNNWWJC-KGLIPLIRSA-N 440.957 2.359 30 10 IEEE Cc1nc(C)c(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1290378606 QHNULHUPKLLUPN-OXQOHEQNSA-N 432.550 2.169 30 10 IEEE CO[C@](C)(C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(=O)OC(C)(C)C 1290747631 GAZYDPPTMGSHQJ-JOCHJYFZSA-N 427.505 2.122 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)nn(-c2ccccc2)c1N 1290748260 RUTNNQSLKKVIQD-QGZVFWFLSA-N 432.459 2.325 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(CC#N)CC1)C2 1293713445 ZDCDNESLADKCDP-QGZVFWFLSA-N 430.505 2.038 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1298214572 TVTFCYSTMZSUDH-UHFFFAOYSA-N 446.515 2.380 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1299684632 GEHMGZVMCKVNQQ-MOPGFXCFSA-N 431.562 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1300305251 SYWRUEMZSHQTNX-INIZCTEOSA-N 449.559 2.295 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1300324898 OHJRUIFRWIZVQX-LJQANCHMSA-N 440.592 2.350 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300392113 ZYMHGHJCJPLXOZ-NRFANRHFSA-N 437.548 2.483 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1300487694 LIRQGTBTSOETMA-AWEZNQCLSA-N 431.518 2.216 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300499606 VNWXBDZTIRYJTF-AZUAARDMSA-N 425.558 2.247 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300504378 MTEIRAICTPHZJC-LJQANCHMSA-N 446.573 2.001 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1300629913 IUYDUQGIXAQCRS-NRFANRHFSA-N 446.646 2.301 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1300690683 GHWUKXYRWCDVKG-RBUKOAKNSA-N 439.560 2.269 30 10 IEEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1303301496 IPOBZAMSUCUXIE-NQIIRXRSSA-N 438.576 2.259 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1306516698 MWRRZYKKGNNYRH-UHFFFAOYSA-N 438.532 2.139 30 10 IEEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1314337991 CGRQMUKSVLCDHI-QGZVFWFLSA-N 426.512 2.301 30 10 IEEE O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CN1 1352326922 IGQNOHIGNJUGFA-YUMQZZPRSA-N 445.310 2.345 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](F)COC)c1 1358903394 VBIAKYIELRJGKX-LJQANCHMSA-N 436.491 2.305 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358917811 BQZRPWBPGRVKQO-REWPJTCUSA-N 442.564 2.434 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1358967396 JQTMIVVHTCZZPC-DKFQHHCZSA-N 444.557 2.459 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCO[C@H](C)C1 1359026646 GLHRUDYLFXOTSW-IAGOWNOFSA-N 431.562 2.171 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1359030012 MGDLFPRVRNDFNJ-WMZHIEFXSA-N 433.597 2.135 30 10 IEEE C=CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1359252457 RZOMGDORHBRCDC-UHFFFAOYSA-N 438.557 2.375 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1359476554 GXUAKLPZRVYHMK-INIZCTEOSA-N 445.568 2.396 30 10 IEEE Cc1cc(CN(C)c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)no1 1361056442 PVSBFQYIAZYSBG-XUTLUUPISA-N 433.472 2.404 30 10 IEEE C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439798329 UOQYCRYXCGMEIA-PLQHRBFRSA-N 429.311 2.164 30 10 IEEE CC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)c1ccccc1F 1445805343 YXTBJZJWPPRKAG-FXAWDEMLSA-N 433.505 2.273 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)s1 1446512946 IAOLZSYREVLRKP-MRXNPFEDSA-N 448.614 2.492 30 10 IEEE COc1cc(N)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Br 1448846520 ODKUZKIXOWCRJH-QGZVFWFLSA-N 443.301 2.442 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)c1 1454853026 JNTAXWIYEMRXCZ-QFIPXVFZSA-N 440.565 2.423 30 10 IEEE Cc1nc(N2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)CC2)n[nH]1 1460684030 AYONKWMQSBCSDN-UHFFFAOYSA-N 432.532 2.212 30 10 IEEE CCC(=O)NC1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1460777864 JTCOQDRBOGQHCL-GOSISDBHSA-N 441.576 2.347 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1461312331 NIVFSPJESIYNRY-UHFFFAOYSA-N 435.465 2.490 30 10 IEEE N#C[C@@]12CN(C(=O)CCCOc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1462987386 FHSYVAYWJVDPGR-GUYCJALGSA-N 427.320 2.005 30 10 IEEE C[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(C(=O)c2ccccc2)c1 1472370941 MJSARUHZYDDQRK-HNNXBMFYSA-N 428.448 2.239 30 10 IEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503399736 PPOLTAMKHDPMRJ-MRXNPFEDSA-N 439.564 2.295 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1504601402 WIBKTRIXPGCYHF-FUHIMQAGSA-N 430.528 2.347 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507630656 FAYDJTZKQLBBSO-IRXDYDNUSA-N 433.603 2.147 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1507659368 SPTKUVFXVVOPGU-KEGLGMRESA-N 445.589 2.033 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1507660311 QGNZWBDZKGYGPU-WZONZLPQSA-N 425.508 2.087 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCCSC)CC1 1507740431 TXFFCXGJJJQLBH-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1507820902 PHWQZKBBXJSMHR-RBUKOAKNSA-N 439.626 2.084 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1507924962 WIBAMSGFHJOVPM-NJDAHSKKSA-N 439.560 2.483 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1507961895 IMUMQZVZBBSEKX-OAHLLOKOSA-N 443.426 2.366 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1508033003 JIRLXYQNZPZQGP-HKUYNNGSSA-N 432.546 2.353 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508073491 KFWCTFSIAGDQBW-QGZVFWFLSA-N 435.532 2.058 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1[C@@H]1C[C@@H]1C 1510190991 FBOAXSRHFJHWOI-YZVOILCLSA-N 444.561 2.389 30 10 IEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1516051846 AVQGWEFQWBCCAD-UHFFFAOYSA-N 442.520 2.168 30 10 IEEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1517172964 GCMNGLXYBXYFBA-UHFFFAOYSA-N 430.497 2.452 30 10 IEEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCCc3nc(C#N)ccc32)C1=O 1530439468 VSWNLQUDGYNZPL-NRFANRHFSA-N 441.850 2.492 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1539089490 NUQPNXDGLJXTDH-QGZVFWFLSA-N 434.504 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCn2cc(Cl)cn2)CC1 1539481444 AAIDENXQDXUXJV-UHFFFAOYSA-N 431.972 2.383 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539743052 SUBCLDWHLIHZTC-SFHVURJKSA-N 448.593 2.007 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)CC1 1540881844 UNTXHJKPNOPJIA-UHFFFAOYSA-N 437.548 2.488 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCOCC1 1541109403 GHGNFSSJNCRLLR-QGZVFWFLSA-N 426.521 2.382 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1541801056 NAGCBBFANXHXAO-KURKYZTESA-N 445.593 2.226 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1555269372 MUAQHEZOLGBFPN-KNQAVFIVSA-N 439.495 2.287 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1555269685 LFPACPOVZWOKST-DLBZAZTESA-N 433.484 2.454 30 10 IEEE COCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(OC)c(OC)c1 1565800975 GUCQWSYMAXVYMO-UHFFFAOYSA-N 436.461 2.433 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1585178067 VQGLVRFGYNARMO-JYNAJPCDSA-N 429.480 2.036 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccnc(F)c4)CC3)CC2=O)cc1Cl 1587685445 RYNBGELXPGZVKA-HNNXBMFYSA-N 427.867 2.447 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1588029018 CBNWVECCXIALPR-GOEBONIOSA-N 437.591 2.240 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1588054488 NQOIEMSZNYDBQV-YOEHRIQHSA-N 449.602 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1588173871 MHRONCQDDPMMKC-KRWDZBQOSA-N 430.553 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588229069 QMCCHALXDPOSPL-VQTJNVASSA-N 437.519 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1588969068 VDGMKWLNJNQOJP-AJYBTWMASA-N 429.565 2.299 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1589599694 JTWPRZKMMFGQSN-UHFFFAOYSA-N 447.609 2.474 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1595170401 BQBWRUPHVHZCEK-SLFFLAALSA-N 430.597 2.148 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCCOC2)C1 1595593566 GFLCVQYIMZMSEK-JOCHJYFZSA-N 429.496 2.305 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CN(CC(C)C)CCO2)C1 1595707720 ZLOLOFDYEDUKFA-WOJBJXKFSA-N 428.581 2.422 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1595818700 XMABMAHRUROJIZ-QWHCGFSZSA-N 449.392 2.066 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCc2ccccc21 1611676821 DMBOVGIVBUERLE-MAUKXSAKSA-N 428.562 2.358 30 10 IEEE CN1CCc2c(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cccc2C1=O 1618009067 WZVPYFFRBPRFIM-LJQANCHMSA-N 431.452 2.030 30 10 IEEE CCOC(=O)C1([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1618072532 KFGPZLSJOHSNTK-GOEBONIOSA-N 447.919 2.429 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1C 1618415734 JWFJGNQGBVFWSC-UHFFFAOYSA-N 428.533 2.036 30 10 IEEE CNC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1618781360 GPXLMOZNDNOQAQ-UHFFFAOYSA-N 443.939 2.128 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(Br)cc2)CCO1 1620354854 DGXONAMCUQZSKZ-INIZCTEOSA-N 440.305 2.469 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)s1 1623642434 DVABZEKSHMVVOW-UHFFFAOYSA-N 447.582 2.176 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 1626112552 YVYNHKRZNCLMSN-WMZOPIPTSA-N 437.562 2.166 30 10 IEEE C[C@@H](CC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 1627741391 PGGVTVDBGGJUNM-ZDUSSCGKSA-N 444.513 2.493 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(C#N)CCCC3)CC2)cc1 1631919626 KIUMARVQMLHZRD-UHFFFAOYSA-N 447.557 2.464 30 10 IEEE C#CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 1636813173 OPAZWFYSVFGINS-UHFFFAOYSA-N 435.299 2.070 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 1639962219 MIXAIKKCIWFQSU-JOCHJYFZSA-N 441.553 2.467 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCCC1 1640672727 XGDVWOGJIBTXOL-INIZCTEOSA-N 425.938 2.073 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(c3ncc(C#N)cc3Br)CC2)cc1 1642309197 HGKVAWYGLKRRBY-UHFFFAOYSA-N 444.333 2.276 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NOc1cccc(C#N)c1 1643518102 SXABJUPQAVRFHK-FQEVSTJZSA-N 445.497 2.133 30 10 IEEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1645292109 JBQGBELAODXLCN-TWPCFHKCSA-N 435.565 2.456 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)C2)nc1 1652332415 WERGMGUTUZSHDI-GOSISDBHSA-N 425.514 2.111 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 1666622446 DDMHUKIPLZPBRV-UHFFFAOYSA-N 446.504 2.022 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)cc1 1672952195 QPUKHQXIJZQDID-KRWDZBQOSA-N 427.505 2.207 30 10 IEEE C#CCN1CCC(NC(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1682724586 AVTZUPPOHRNLRM-SFHVURJKSA-N 446.617 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1689834962 COKNJBBALLUBHK-FUHWJXTLSA-N 432.546 2.002 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1689980024 KJFQZRQYOYEMLC-SJLPKXTDSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1690009246 ZCBWGBUKHQCUOC-INIZCTEOSA-N 445.310 2.313 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](F)COC)CC1 1690117540 KYXMWXXHGSCYQD-IBGZPJMESA-N 445.539 2.481 30 10 IEEE C=C(Cl)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1690358626 GHZUVBHFQTYRQO-FQEVSTJZSA-N 430.896 2.218 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)ccc2OC)CC1 1690396908 PISGHORZDQSCNO-OAHLLOKOSA-N 449.577 2.356 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690497438 QGTFVTLNUZAXAZ-KRWDZBQOSA-N 429.525 2.182 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CSCCS1 1690620341 YPHYMORZXIBPOT-AWEZNQCLSA-N 437.591 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690663231 QIMKNTHKGBIAOW-UHFFFAOYSA-N 439.438 2.150 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1690671357 ULINGEJGQMJYPS-RBUKOAKNSA-N 425.533 2.477 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncnn2C(C)(C)C)c1 1693228825 CIKSNVGGLXGBJE-GOSISDBHSA-N 436.520 2.289 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1695987415 QLBAREGIOSZTRQ-QGZVFWFLSA-N 435.488 2.492 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1 1696460465 ABHXMXCTGRGBPU-INIZCTEOSA-N 431.562 2.381 30 10 IEEE CO[C@H](CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1697138290 MCILACSTSCOBEN-ZWKOTPCHSA-N 449.481 2.408 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@H]1C 1698085556 MPYXLMDZJDDLNY-MRXNPFEDSA-N 434.491 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC1(O)CCOCC1 1705481561 IWBXGKGXSKVUQS-INIZCTEOSA-N 444.532 2.360 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705535981 FHVBDCGFHQUCPX-UHFFFAOYSA-N 432.532 2.193 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1705566377 NGFXIYCMXOPOPN-MJGOQNOKSA-N 449.621 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1([S@@](C)=O)CCC1 1705587158 JOZIFFXNRIYERB-SSEXGKCCSA-N 426.542 2.240 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705587882 MWQKETYYTYHTHF-LRSLUSHPSA-N 427.593 2.443 30 10 IEEE C#CCSCCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705665267 OQTIFIPMRZWJDF-JOCHJYFZSA-N 449.621 2.038 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705831641 YMNHOFUIBZETJJ-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1705877412 GNOINMQUXKFTFS-JOCHJYFZSA-N 432.590 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1705933037 RXPGKQJCCJCLAZ-SFHVURJKSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705936689 WOQUQHXEUATDFF-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705950233 UYUZENUXVQXXKP-RTBURBONSA-N 448.637 2.182 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1710012756 BSFIKIZQKXAPMY-YLJYHZDGSA-N 444.605 2.419 30 10 IEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1710352919 DOGPQXJVTUGJTA-UHFFFAOYSA-N 449.519 2.051 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1711371967 DETMHQFKXBHWFK-JOCHJYFZSA-N 440.573 2.037 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C[C@@H]1C 1711479670 ZKLVJPHGTYQMKG-LPHOPBHVSA-N 440.504 2.185 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C[C@@H]1C 1712478649 DMKQAYLHWWKOKC-KRWDZBQOSA-N 434.548 2.064 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(C(=O)N(C)C)c1 1712622958 XVDQMWABHJDUEM-VDGAXYAQSA-N 440.548 2.491 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CCCCC1 1722274367 LQEZYLBNNDDTRC-LJQANCHMSA-N 428.581 2.007 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@@H]1CO 1722287390 PBIRXJUZTNCTKU-UYAOXDASSA-N 439.560 2.411 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1722352690 SRTWGTZGKWWTOJ-QGZVFWFLSA-N 446.552 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)NCC(F)F 1722393862 JKLWEMJTHYJUHB-UHFFFAOYSA-N 438.438 2.444 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1722397598 LGNRFZBTBCKLMW-OAQYLSRUSA-N 446.555 2.222 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722441048 FZSWKSMNOOMRMK-XUZZJYLKSA-N 446.555 2.465 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722534285 LZMMHABCJVQCJH-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722601080 UVSFWBJMTBCJKO-HNNXBMFYSA-N 435.550 2.376 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722603205 RAGMXFKMCYHDEP-KRWDZBQOSA-N 431.566 2.096 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CC2)C1 1722717964 OWNFXQZLQGKRBD-HNNXBMFYSA-N 437.953 2.352 30 10 IEEE C=CCSCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722740298 SLZFPNRGZMOCAP-INIZCTEOSA-N 428.566 2.111 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1722868548 LEBMGTOFJNPSEO-MNOVXSKESA-N 445.442 2.381 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)Br)CCN1C1CC1 1731188265 DCEPUDWZICQNBJ-GXTWGEPZSA-N 445.312 2.336 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1740564448 NCXOMEQJEZIWCK-NRFANRHFSA-N 438.576 2.254 30 10 IEEE C#CCCCn1c(N2CCN(c3cccc(O)c3)CC2)nnc1[C@]1(OCC)CCOC1 1740596397 DOCAKESBFXETKP-QHCPKHFHSA-N 425.533 2.376 30 10 IEEE C#CCCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740597388 STGSDEQULPQZCC-WMZHIEFXSA-N 429.565 2.323 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)cc1 1740600005 HKZOEWOXDZYDCI-INIZCTEOSA-N 431.562 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1COCCO1 1740647037 MTSXCROTRSOJNR-QGZVFWFLSA-N 446.349 2.315 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1740652084 QZLKZCGLLSGLGI-IBGZPJMESA-N 428.487 2.159 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740655712 CJNUGKMJHQXCCD-QFIPXVFZSA-N 438.620 2.416 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1740671865 QDMNSAGFYPMRLL-DENIHFKCSA-N 439.560 2.487 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC[C@H](F)C2)n1 1740688619 HCYBJJRFDNQYKM-MJGOQNOKSA-N 440.527 2.300 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccs2)CC1 1740692428 KNXMCZVWLOKVOW-JOCHJYFZSA-N 429.590 2.378 30 10 IEEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1740710595 ANDWILQPSRSWHU-UHFFFAOYSA-N 426.590 2.330 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1740763623 NQLIFOKAYHIFDV-MPGHIAIKSA-N 443.470 2.149 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](OC)C1 1740764462 XBVZKMXYHBTRMG-TXPKVOOTSA-N 431.562 2.476 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1740792787 MGEYXGPRZOLROJ-APWZRJJASA-N 427.505 2.050 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1740882601 RFMWWQUDUDUXLH-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1740962849 QFODWNQXUYBMQR-UHFFFAOYSA-N 440.523 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(C)ccc1F 1740990321 QPCWTVNKSJJMJE-UHFFFAOYSA-N 430.509 2.420 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1748648105 YDFBAXBHBZYCNI-HXOBKFHXSA-N 426.517 2.482 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1748780265 QDIMIUTWPWGCHZ-QFIPXVFZSA-N 427.574 2.231 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749268852 IDFVLHYDNKTKCV-RKVPGOIHSA-N 429.974 2.132 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCc2ccccc2C1 1749828638 FGMFFXZQMXJBMW-IBGZPJMESA-N 448.575 2.492 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)cn1 1749895116 AYRMMYZRQDKSED-UHFFFAOYSA-N 431.500 2.427 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1760112427 GSIXOPGEVWAWAO-AEFFLSMTSA-N 444.580 2.377 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760132575 KWWMCMXYMNLDSA-NRFANRHFSA-N 432.528 2.448 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nccs2)CC1 1760264227 GFWKBLOCNXFGAJ-UHFFFAOYSA-N 426.521 2.451 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760359030 BCBOIOLELTZLRP-TZIWHRDSSA-N 439.560 2.379 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](COc2ccccc2)C1 1760525643 MEDXINLYLXPBQS-HXUWFJFHSA-N 432.528 2.471 30 10 IEEE CCc1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763048515 RWYRAOBVHVJMIE-UNEBPCJRSA-N 438.536 2.022 30 10 IEEE CCOCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1767752972 BPRRQEQEWVEAJX-QFIPXVFZSA-N 426.496 2.427 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1771536702 AFPBVLZMHURWKH-INIZCTEOSA-N 435.454 2.343 30 10 IEEE N#CCC(=O)NCCOC(=O)C[C@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O 1851843560 AORCLHCTUJUPQT-GOSISDBHSA-N 435.436 2.076 30 10 IEEE CS(=O)(=O)N1CC2(CCN(C(=O)COc3ccccc3C#N)CC2)c2ccccc21 1852534897 IZKJWYPCRMWEBJ-UHFFFAOYSA-N 425.510 2.277 30 10 IEEE COc1nc(=NC(=O)c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)c(C#N)c(C)[nH]1 1852536829 SOTTUXVISMZMLP-UHFFFAOYSA-N 448.527 2.040 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CCC[C@@H]3Cn3ccnn3)CC2=O)c1 1856678533 WUWRISDKWUHQNH-IAGOWNOFSA-N 426.908 2.151 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC(C)C)cc2)cc1 1859009946 CTWJNQKQUHMQGO-UHFFFAOYSA-N 444.509 2.494 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862628936 KGVRMTQYEZXNAR-GOSISDBHSA-N 425.393 2.074 30 10 IEEE C=CCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O 1863587433 IQWSGXINZLHRIF-UHFFFAOYSA-N 428.445 2.071 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1nn2c(C)nnc2s1 1868899309 PDKXLWXZWVOZRP-GOSISDBHSA-N 438.557 2.355 30 10 IEEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870112550 KJDDQANRIMZBMM-UHFFFAOYSA-N 440.822 2.355 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CSc1nnnn1C 1870202047 FCMCLCMWDVBGKJ-UHFFFAOYSA-N 440.529 2.430 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN([C@H](C)C(=O)NC(C)C)CC3)n[nH]2)c1C 1890526780 RSSIPCHYFRGBGB-GOSISDBHSA-N 441.580 2.137 30 10 IEEE COc1ccc2c(=O)n(CC3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)cnc2c1 1891756294 MSTLMQWDYYKCNE-UHFFFAOYSA-N 438.509 2.378 30 10 IEEE C[C@@H](CCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900475054 OQMVCGSMENBJSI-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC[C@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2054336016 ZLUWTAPTRUNJRO-VIFPVBQESA-N 443.232 2.345 30 10 IEEE Cn1cc(C#N)c(=NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2060787628 JHZDKCKYRHKZBR-HSZRJFAPSA-N 439.516 2.496 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243387537 WDQPJMYORREWRA-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CCN(CCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243392388 HZUKPVHJNDAKAQ-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2255620884 FNHHMKSCBRMRQR-ZSEKCTLFSA-N 449.382 2.490 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2255673268 DGTHMFUJCKCYSB-UHFFFAOYSA-N 433.358 2.404 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255804432 CSXHQKJVGZTSTG-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255806133 DLFWGLLSCIZBEC-UHFFFAOYSA-N 438.330 2.240 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258886778 SRYWQEQHCWROEN-HIFRSBDPSA-N 434.346 2.227 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267128118 NQYUVMXZCIDQHB-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267140804 SMDPMAYJMGAFER-QDMKHBRRSA-N 446.357 2.084 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2267275660 QNZFLGCLALLISJ-KBAYOESNSA-N 445.369 2.452 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267277328 NSNCGCFHNXTGIW-UBHSHLNASA-N 442.243 2.250 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)n1 2267493161 YGOGHZZGEAZRAM-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267517551 VFLYTPHMFXVXQJ-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE C=CC[C@@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2270527792 BKQGTTLYTSKNKQ-CZUORRHYSA-N 438.424 2.183 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccnc2)C1=C(O)c1ccc(Cl)cc1 2296088887 VBTRECJNTOSBTP-LJQANCHMSA-N 427.888 2.489 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1 2296610019 IGWLEASAOQDZQB-SFHVURJKSA-N 430.530 2.232 30 10 IEEE COc1cc(C=Nn2c(S)nnc2CNC(C)=O)ccc1OC(=O)c1ccccc1 2321940504 JACIABIXTNZIQV-UHFFFAOYSA-N 425.470 2.313 30 10 IEEE COc1ccccc1C=Nn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(N)=O 2326736282 MKSUFTCVKVEUAA-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2328726904 ZVJNPMVDVFYKIQ-UHFFFAOYSA-N 439.497 2.448 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1OC 2329034993 RTPADOHTTGRSJY-OAHLLOKOSA-N 431.518 2.158 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334264097 ILOPEBXUTOYWMK-DJIMGWMZSA-N 445.369 2.310 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343639805 YFBGTEJNVQEGNA-HOTGVXAUSA-N 449.332 2.410 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc(C#N)c3)CC2)c1 11796741 YBVRWYOTKXSLNR-UHFFFAOYSA-N 426.542 2.139 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)o3)n2N)c1 21321087 GTDRHGHUMOVQLS-AWQFTUOYSA-N 428.478 2.029 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(C(=O)NC)c3)cc2C1=O 22066980 CJMXOAXIZIVCTI-CYBMUJFWSA-N 435.436 2.012 30 10 IEEE C[C@@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCC2 23400457 HDVJDNUGCSNWBE-LLVKDONJSA-N 441.465 2.137 30 10 IEEE COc1cc([N+](=O)[O-])cc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)c1O 169902458 XENIQKOOFJCRRV-LZYBPNLTSA-N 430.236 2.384 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2Br)cn1 460777396 LRDMZVBWOYSEGE-UHFFFAOYSA-N 448.258 2.400 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccc(F)cc3)c2=O)nc1 474343281 CFEUCRKLAOPFCZ-UHFFFAOYSA-N 436.512 2.017 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cc(C#N)c(SC)nc3O)C2=O)c1 477603476 RTKVTIRYDBCZQH-KRWDZBQOSA-N 442.497 2.275 30 10 IEEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 480348587 NLBAHJWYZSPJRP-OAHLLOKOSA-N 436.925 2.285 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)cc1 485829479 CVJFZSJALHUNRK-UHFFFAOYSA-N 430.526 2.483 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 486799030 HNMJBJSJFNLKKT-UHFFFAOYSA-N 441.488 2.178 30 10 IEEE CCc1cnc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)s1 487518084 LDDFORUKCPGKGU-IBGZPJMESA-N 438.557 2.210 30 10 IEEE CN1C(=O)N(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C(=O)C12CCCCC2 497638900 VIFCYJMTBOAGPU-UHFFFAOYSA-N 437.544 2.189 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 508845259 AYWJJSNYZZSZON-IIBYNOLFSA-N 446.577 2.199 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 508847315 KIIVHOSWKDACJW-SJLPKXTDSA-N 443.548 2.314 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCC 516373951 YOCALNIXTHBGLC-UHFFFAOYSA-N 427.570 2.365 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 523257907 PHAGKIIVTOSNHO-WMLDXEAASA-N 441.509 2.115 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C[C@@H](C)C#N)C1CC1 533597051 VDPSTDIAXXBSJB-INIZCTEOSA-N 434.562 2.432 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cccc(Br)c3F)CC2)n1 543392990 NARCQZOHJSYYCC-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(CCC(=O)N(C)C)CC1 549263947 PZWZPVKYANGIMZ-UHFFFAOYSA-N 430.528 2.173 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)CC1 554626935 HIGCMYGNFAEREQ-IBGZPJMESA-N 437.544 2.351 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4ncccn4)CC3)n2C[C@@H]2CCCO2)cc1 559135613 XKEGHTGYKQZYNE-FQEVSTJZSA-N 446.515 2.024 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3CCc3ccccc3)CC2)nc1 563228331 WVEHLXIBVCCBCP-OAQYLSRUSA-N 445.527 2.202 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 578543667 FRSSRXGBKKGQCC-NXHTTZLHSA-N 427.501 2.284 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 609906286 BKTNVUZPNNDVIG-UHFFFAOYSA-N 449.492 2.287 30 10 IEEE C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C(=O)N1c1cnn(C)c1 611840931 LBUDJYBBLAOWGX-BLLLJJGKSA-N 438.879 2.446 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@](F)(C#N)C2)C1=O 616089433 WQNJFAAHJZQXLI-HYFFOGBASA-N 430.480 2.317 30 10 IEEE COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 619228338 KLUAVKFINRDNLP-UHFFFAOYSA-N 449.540 2.292 30 10 IEEE CCCCCCCCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(=N)O)[C@]1(OC)[C@H]3N[C@H]3CN21 725391360 GEMIIFLGMHAMLT-PGEDKCAPSA-N 447.532 2.181 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cnn3ccccc23)c1=O 729669799 BKVSFEUAIVVAMJ-UHFFFAOYSA-N 444.516 2.362 30 10 IEEE COC[C@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 730137137 DPWDZLXZUCYNHI-CRAIPNDOSA-N 438.569 2.416 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c(=O)[nH]c21 730406277 QNESADAZLQIQNX-GQCTYLIASA-N 445.888 2.349 30 10 IEEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)CCN/C(O)=C1/N=CC=CC1=O 741339331 DZUPVHDBRQKNDC-LDTKGLONSA-N 435.864 2.444 30 10 IEEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c1 746680865 SDMPYUKKJBQUQB-SOFGYWHQSA-N 446.481 2.249 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 748066096 QKHVOBCKYFWNIQ-UHFFFAOYSA-N 433.537 2.019 30 10 IEEE C[C@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752610881 RQLFJOJQTARREF-HNNXBMFYSA-N 429.498 2.288 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 755104313 ZULBTYYQYWGKFT-QGZVFWFLSA-N 430.505 2.057 30 10 IEEE Cc1cc(S(N)(=O)=O)cc(NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)c1C 777172157 LUIFKIDZJSFHPD-UHFFFAOYSA-N 427.482 2.302 30 10 IEEE COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 781536136 BCGYLLXZNJMAMV-UHFFFAOYSA-N 446.257 2.371 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N([C@H](C)c2ccncc2OC)C1=O 783512005 ZDSLCWYXISQKTD-WBMJQRKESA-N 429.502 2.323 30 10 IEEE COc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783943015 QUEMTCRDLNFSLT-UHFFFAOYSA-N 431.502 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)[C@H](C#N)C1 796488013 BLEHRHISMQTONY-OAHLLOKOSA-N 427.505 2.195 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)CC1 796981497 FZDOTGFHTRTABH-OIISXLGYSA-N 449.529 2.380 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)nc1 810692920 SLHQCARULKBCQV-RPEUOYKBSA-N 438.487 2.049 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 811882067 DKBLPNPNVWDWKY-UHFFFAOYSA-N 447.586 2.310 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 812179425 NWEKPWHDJHTPMQ-FUHWJXTLSA-N 448.568 2.220 30 10 IEEE N#Cc1ncccc1COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 813160656 RONXNBQNDGHYAJ-UHFFFAOYSA-N 445.497 2.307 30 10 IEEE N#Cc1ncccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 813162211 ILJSORQJDXGFQD-HNNXBMFYSA-N 435.889 2.421 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CCc2ccc3c(c2)OCCO3)cc1OC 916924109 RDCFZLWYXCBVFJ-SFHVURJKSA-N 438.480 2.475 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H]2CCCCO2)CCN1C1CC1 1118981495 SMOZUVQDYXMJIO-RTBURBONSA-N 436.516 2.419 30 10 IEEE CCn1c(CCC(=O)Nc2cccc(CC#N)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 1133013040 YXTNPNVGKMEBKM-UHFFFAOYSA-N 440.529 2.339 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)CCCN1C(=O)OC(C)(C)C 1137757353 DMRJFNFCTJLATC-OAQYLSRUSA-N 436.530 2.184 30 10 IEEE C#C[C@@H](NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)c1ccc(Br)cc1 1159634525 MXWYBYROYXTHPJ-GFCCVEGCSA-N 426.292 2.216 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCOc4c(F)cccc43)CC2)cc1 1251312499 CJXPJLNZFNPNJM-LJQANCHMSA-N 444.488 2.237 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OCc2ccccc2)c1 1286407579 NAUUKPYFYDOOEP-OAQYLSRUSA-N 440.507 2.324 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccccc2)CC1 1286495407 VBTWYPPQMYMRBM-HYBUGGRVSA-N 437.544 2.003 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1286561787 OWMPJDGMFAMYGC-PXNSSMCTSA-N 440.548 2.396 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1286970944 YOBNZDFODDUAJH-DOTOQJQBSA-N 431.562 2.052 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1ccc(Br)cc1 1290676548 VGVBYOFPUIVTAJ-AWEZNQCLSA-N 426.267 2.248 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1296168091 PKTLXZPFNVQQND-TZMCWYRMSA-N 434.497 2.256 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc3ccc(Br)cn23)cc1 1298072294 DVSACBTVBCYEFY-UHFFFAOYSA-N 436.291 2.208 30 10 IEEE Cn1cc(Br)c(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1298140725 UWUBASWQQLXMPU-UHFFFAOYSA-N 425.327 2.449 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1298283531 GQOQLVXXLMVARO-FQEVSTJZSA-N 438.532 2.277 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300384647 UKXAHWSVFODVQD-GPMSIDNRSA-N 430.480 2.331 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1300403551 NFOIIEDIIAXJOV-UHFFFAOYSA-N 438.557 2.218 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCC(C)C 1300439297 AFRVSPDBHFOBMX-JOCHJYFZSA-N 447.605 2.452 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300504637 PHYJMLUCAJQYBZ-RTBURBONSA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1300512206 ONLNCVZOBRFTOR-NVXDSCFRSA-N 426.561 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1300531623 DMRKDNARTUARTG-HKBQPEDESA-N 436.541 2.214 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(C(N)=O)CCOCC1 1300618236 BLRMSXJLLMCKSL-UHFFFAOYSA-N 434.500 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](C)N(C)C)CC1 1300719930 WFCWVYGDCMTLES-GOSISDBHSA-N 447.587 2.353 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1300777902 GSMDLJCKRWNEMK-QGZVFWFLSA-N 443.533 2.126 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301059271 VJDXTWBNZSPFSX-JYJNAYRXSA-N 432.974 2.158 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C1CCC1 1301278522 NIFOQUJBSKZFNP-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1301439810 HIKWPQRMNDVZPQ-NHCUHLMSSA-N 433.484 2.192 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301502376 GRRALZKBWZSEOB-SFHVURJKSA-N 428.585 2.294 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)o1 1302991347 GBNPNUVAZKNZEY-OLZOCXBDSA-N 443.451 2.472 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)CCCS1 1303818536 CNFZVQJIYDHILB-KSSFIOAISA-N 426.612 2.304 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1304851121 AYHHGUYCTQRYCG-JOCHJYFZSA-N 441.555 2.281 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1306515231 CXKHBSFQPBABRK-GOSISDBHSA-N 437.548 2.038 30 10 IEEE CCN(CC)CCOCCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1313720869 SZCHNWYJESFPIN-UHFFFAOYSA-N 429.544 2.282 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1316339574 OVRNIWAAPJQNJM-INIZCTEOSA-N 439.488 2.112 30 10 IEEE C#Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)c1 1349703686 JCRRAMKLDYNORW-UHFFFAOYSA-N 442.541 2.182 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358950811 ZGNNKADYWYRYDD-AZUAARDMSA-N 445.564 2.282 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1358960345 CETIBBFSJKSTON-SFHVURJKSA-N 439.516 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSc1ccccc1 1358984895 JVKQVWQRYJDMAL-KRWDZBQOSA-N 431.587 2.144 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359001854 FYEDVLOMUFJZRT-SELNLUPBSA-N 433.597 2.278 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)CN2CCCC2)CC1 1359043811 JRWRJYCBJYJBAC-LJQANCHMSA-N 449.603 2.346 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359049276 LRKGJKZHMSLCSP-WFXMLNOXSA-N 438.594 2.143 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1359112368 HVVFVGKZIBGNFO-WZONZLPQSA-N 441.580 2.394 30 10 IEEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359217513 BREFDKCCBIEBJI-UHFFFAOYSA-N 436.560 2.071 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1359240165 HLJOFGSJAHDKLU-KRWDZBQOSA-N 434.562 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)C1 1359322298 SQSCKPUBRXJZNH-AZUAARDMSA-N 446.573 2.431 30 10 IEEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O)C(C)C 1360128162 CCHXVGYJPAFLMN-UHFFFAOYSA-N 432.594 2.416 30 10 IEEE N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)C2 1437272328 XZCAGCRWIHODFH-QGZVFWFLSA-N 440.481 2.410 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 1443047525 FSJUZAZAMVWLKJ-YZUZCNPQSA-N 442.560 2.495 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H]2CCN(C(N)=O)C2)nnc1-c1ccc(Cl)cc1 1449154413 MILNEUFZIYRSGH-ZDUSSCGKSA-N 434.953 2.393 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)c2ccc(Br)cc2)c1 1468539729 OAGQFVKASZFUPB-INIZCTEOSA-N 441.278 2.349 30 10 IEEE C#CC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1470364484 BCSPYNLGYDTQMY-MRXNPFEDSA-N 442.375 2.029 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N=c2nc(C)[nH]n2-c2ccc(F)cc2C)c1 1472136604 IVYWDRDOFAQZSM-UHFFFAOYSA-N 426.473 2.494 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c2c(Br)cccc12 1474863001 KMCMAAKHBJOOIQ-LLVKDONJSA-N 433.349 2.294 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1493168190 BXELYBKROCEVNI-QGZVFWFLSA-N 449.559 2.132 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1501194695 UDEJCDKRAYTRBW-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1502468766 FHYXRLDAADCAIV-AEFFLSMTSA-N 446.602 2.088 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCO[C@@H]1CCOC1 1505080258 GXAQXPHTHHFNEN-ZCNNSNEGSA-N 433.553 2.328 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1507555729 BABOPUJKFBPDGR-INIZCTEOSA-N 431.562 2.263 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)CCCO2 1507702768 NSCPQXSOEXKHGN-UHFFFAOYSA-N 446.511 2.385 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N1CCCCC1 1507713015 WEULGTKZOLYHHO-RTBURBONSA-N 440.548 2.135 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C(C)(C)C)no2)CC1 1507715667 GIDKTJLKECLUPM-UHFFFAOYSA-N 448.531 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC2)CC1 1507736003 JUEHXXPUOSCDHP-INIZCTEOSA-N 441.507 2.048 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507965070 KGPNGBQZYHATKO-KRWDZBQOSA-N 448.568 2.097 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1)C1CC1 1507988792 VWTLJGDBYBHBDU-QGZVFWFLSA-N 444.605 2.101 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508051364 UHBNXUWGOCKKEV-QFIPXVFZSA-N 440.592 2.371 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCO2)C1 1508114381 ABQAIXVJQKVIRB-QZTJIDSGSA-N 432.546 2.309 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1508142368 CLEYVLOZLQAKOE-JOCHJYFZSA-N 430.574 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCCC3=O)CC2)nnc1C(C)(C)C 1508149165 OXIZUQJONISANU-UHFFFAOYSA-N 437.610 2.158 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C(N)=O)cc2)CCOC1 1508413785 VWJIBWIYCDVSCZ-ZHRRBRCNSA-N 426.521 2.062 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1508424386 PDLGZYVSMBCJCP-ORIGZDJFSA-N 425.518 2.053 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCc1ccco1 1512936784 KQIOBWDAWZVBQN-AWEZNQCLSA-N 435.488 2.236 30 10 IEEE CCc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513943092 PVQKOXQDJJYDSK-AINLKENTSA-N 436.516 2.119 30 10 IEEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1517298356 HJWLTOGNIYULDQ-QFIPXVFZSA-N 431.560 2.497 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1519132232 QABPPNIKZRGJIO-XMMPIXPASA-N 445.527 2.343 30 10 IEEE CCOC(=O)C[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 1537287111 SAKKYHFVWNJBNN-HNNXBMFYSA-N 441.509 2.199 30 10 IEEE Cc1ccc(-n2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c(C(C)(C)C)n2)cc1 1538308689 PEALTVOBGVAZLY-AOMKIAJQSA-N 426.542 2.489 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1539065237 CTQIVRHFWOGDBU-SJORKVTESA-N 439.516 2.104 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(CC)cc2)CC1 1539432207 ZOKCTDFMPYIXGY-RUZDIDTESA-N 437.588 2.491 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1 1539517222 KHLQIEPBCLELAJ-KRWDZBQOSA-N 434.587 2.062 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539615790 MBNFUSPGPIEFDT-AEFFLSMTSA-N 425.599 2.291 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539751762 UJMGIDWNCUDEHN-IBGZPJMESA-N 445.568 2.169 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540039638 DLJXZHHRCMVLEG-GJZGRUSLSA-N 431.459 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](COC)C1 1540864424 ZSOYWLYEVDBTAN-ZDUSSCGKSA-N 437.342 2.201 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C(C)C 1541696531 ADGIDVNTKBGBBR-QFIPXVFZSA-N 428.537 2.097 30 10 IEEE C#CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)[C@@H]1CCS(=O)(=O)C1 1545062798 PRKBLIAIKLJVBB-JKSUJKDBSA-N 435.546 2.062 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1546517599 NTMBVEHKUPJXKZ-HXUWFJFHSA-N 435.576 2.339 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)CC1 1547728746 QGVYXNKZYFJNTB-UGKGYDQZSA-N 437.592 2.315 30 10 IEEE Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)cc1S(=O)(=O)NCC#N 1556603258 ACOQJAAXXQXYHY-AWEZNQCLSA-N 441.513 2.261 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1558465722 NFPSCWYIJFLLIZ-GFCCVEGCSA-N 436.257 2.306 30 10 IEEE C#CCN(C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)[C@@H]1CCCc2ccccc21 1558540622 FHQLMTQDEUJVGG-OAQYLSRUSA-N 445.523 2.260 30 10 IEEE CC(C)(C[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1)C(N)=O 1559847775 AARQWVSUYCLKBP-NQIIRXRSSA-N 443.567 2.148 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 1583870207 CQLDNCDDYBKITL-WIYYLYMNSA-N 440.569 2.000 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1587581204 XRJGITWQKLQONO-HZPDHXFCSA-N 432.546 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nccn1C(F)F 1588251566 ROFGULRQJAETNJ-UHFFFAOYSA-N 443.483 2.372 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1588267005 ZSLDILDIFFKSDK-SFHVURJKSA-N 442.539 2.181 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)CC1 1594097125 MJYFGXFWXSDHSH-LJQANCHMSA-N 443.573 2.043 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@H]1C 1594627589 VVWSIVGBWOPLRU-IKGGRYGDSA-N 443.639 2.298 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1594733485 UFWBWSGFUOGKFF-GOSISDBHSA-N 448.568 2.221 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccco1 1613259980 CGJWIQYBYRMJLD-CQSZACIVSA-N 435.488 2.350 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC(C)C 1613565497 URNRGDXZKXWRJL-UHFFFAOYSA-N 441.536 2.156 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCCCC4)o3)CC2)cc1 1624067133 FRUBBIZNSMMEGU-UHFFFAOYSA-N 442.541 2.284 30 10 IEEE N#Cc1ccc(CSc2nnc(NC(=O)CCN3C(=O)CCNC3=S)s2)cc1 1625389475 GEFAMQACNLALDO-UHFFFAOYSA-N 432.556 2.137 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)CC1 1630039486 VKYGIAXDEXKZIW-MRXNPFEDSA-N 439.375 2.287 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)cn4ncnc34)CC2)c(F)c1 1632032284 UTDMUKCDVILZIC-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE COC(=O)N(C)CCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636976700 MPPLLUSXWROZLA-YUMQZZPRSA-N 427.292 2.497 30 10 IEEE C#CCNS(=O)(=O)N1CCN(c2ncnc3scc(-c4ccc(C)cc4)c23)CC1 1643102088 IJXOYXCSVYKTAE-UHFFFAOYSA-N 427.555 2.256 30 10 IEEE COCC(COC)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1646157774 DISCTMZWUSNFJN-MRXNPFEDSA-N 434.606 2.352 30 10 IEEE C#CCN(C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385300 PPRNDTWYMOKTRA-QGZVFWFLSA-N 435.521 2.334 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 1660869542 KZOUYFUBGBQPIO-UHFFFAOYSA-N 449.617 2.044 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 1675815382 IBNMHHFYFIUXOG-HSZRJFAPSA-N 443.548 2.416 30 10 IEEE C=CCN(C(=O)NCC(=O)Nc1ccc(I)cc1)[C@@H](C)COC 1681070991 FEGGIDAHCWZOMN-LBPRGKRZSA-N 431.274 2.462 30 10 IEEE COc1ccc(N2C[C@@H](NC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)cc1 1682606214 DQDLQJRGVVJJCR-ROUUACIJSA-N 434.500 2.353 30 10 IEEE CN(CCOCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)OC(C)(C)C 1682840344 GAEIGQKUSFWNGJ-HXUWFJFHSA-N 445.564 2.289 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)CC1 1684564437 YKEGLVTXKOFKMD-NQYYFHDYSA-N 432.565 2.334 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1cccc2c1OC(F)(F)O2 1687099816 XAJBOFDDQOGMBY-CYBMUJFWSA-N 430.415 2.133 30 10 IEEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689900583 JYESESFSFITDSC-UHFFFAOYSA-N 440.592 2.085 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1689966541 VCKZQTATQQGCSW-KRWDZBQOSA-N 429.546 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1ccnc1C 1690037334 UWJJRQVSVAFMIS-UHFFFAOYSA-N 436.541 2.017 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690098638 PNUHGVJKFNFMBM-OALUTQOASA-N 426.565 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@@H]2CC)CC1 1690150790 VOCMIIDXOVJZDG-AZUAARDMSA-N 440.592 2.193 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)C)CC1 1690219365 BXRXQZDINKFEKT-OAHLLOKOSA-N 444.374 2.215 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1690265562 QDHPKNLPEPSKKG-BZSNNMDCSA-N 425.599 2.450 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1)c1ccccc1 1690322451 FZHUWWGQDQMBNR-RTWAWAEBSA-N 438.576 2.490 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)COC)CC1 1690480861 QANCBVCJNQIMRF-UHFFFAOYSA-N 435.532 2.392 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1690507579 PTANJHWFGFQZHQ-QGZVFWFLSA-N 438.532 2.257 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(OC)CCOC1 1690558100 FCMCTIATVZXEGV-HSZRJFAPSA-N 438.532 2.286 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690662175 SZTCVYVDXVOTKM-WFASDCNBSA-N 437.342 2.199 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690675115 POCPCSFRMONTAK-GOSISDBHSA-N 429.569 2.226 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1690714826 WAYSWIWQSUNPCH-WOJBJXKFSA-N 441.532 2.437 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1691000975 ABRAJLCPGLTRHC-MRXNPFEDSA-N 435.532 2.483 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCOCC2)CCOC1 1692583139 NJZWQSIQPBKEEV-DHIUTWEWSA-N 446.596 2.171 30 10 IEEE CCC(CC)[C@@H](Cn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1)N1CCOCC1 1694287413 WEZMWBJJGQGFFP-OAQYLSRUSA-N 439.564 2.259 30 10 IEEE CCOC1CC(O)(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1696193655 DVNXNCIAUPKEFQ-XLLHFJCQSA-N 425.533 2.479 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1697048529 FSNFRMAFSVBXAC-UHFFFAOYSA-N 429.546 2.322 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)CN1CCN(CC)CC1 1705547657 LPZTYBHTRWYRAQ-LJQANCHMSA-N 440.592 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1705596710 LWRPATCOZQCBDQ-OAHLLOKOSA-N 446.433 2.185 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705615274 NNRXCFVNDCDMPS-SFHVURJKSA-N 436.482 2.377 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1705632340 MQGABNSOPFSIDL-IBGZPJMESA-N 428.606 2.292 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1705669484 NUOJTAHEVPYEAL-AGILITTLSA-N 445.608 2.279 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1705717829 SLBVUTOKPVUTAH-ZDUSSCGKSA-N 426.493 2.359 30 10 IEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1C 1705718890 DEBFJQLJQUTOMU-UHFFFAOYSA-N 449.607 2.222 30 10 IEEE C=C(C)Cn1c(N(C)C2CCN(CCn3cccn3)CC2)nnc1[C@]1(OCC)CCOC1 1705729549 FDAKWOYIEXACRE-QHCPKHFHSA-N 443.596 2.304 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705737117 KCTOUWATQZJHTG-UHFFFAOYSA-N 427.615 2.320 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)(=O)CC1 1705739570 KWMMDVMGRGSQOF-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705930696 UAHXRIYAOVEKAX-GJZGRUSLSA-N 437.532 2.465 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705950350 YJYZFLSCLAUIKN-NQIIRXRSSA-N 437.610 2.343 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1706517445 FOAZCLVQGTVECK-FCHUYYIVSA-N 438.576 2.149 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1712168460 DISZKDWOLVGXGH-RTBURBONSA-N 426.496 2.392 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1712254309 HZFZINFJTCEQAR-UYAOXDASSA-N 427.505 2.007 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)c2ccccc2)CCO1 1712884901 VMCHYRMOBFZBQF-KRWDZBQOSA-N 443.554 2.133 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1722323378 DLEDNAOJUURCQL-MRXNPFEDSA-N 426.546 2.342 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369696 DSOWFSJQLWLYDB-WOJBJXKFSA-N 445.589 2.276 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722372079 OSUBMCLXUCFWDG-OALUTQOASA-N 446.573 2.217 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722532821 XIRCTBYGHSQZOH-IBGZPJMESA-N 444.580 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1722728998 VIUGBFMADVYTRQ-AWEZNQCLSA-N 446.499 2.498 30 10 IEEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1723028807 RMCVKKGCMCZUEE-OAHLLOKOSA-N 439.486 2.279 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1730401400 ALRVTVUHCNKAEO-XLIONFOSSA-N 430.940 2.490 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740589245 STJOOBMWNNYPKQ-KRWDZBQOSA-N 426.546 2.103 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740625221 DVRFGCOCXYSBRI-MBOZVWFJSA-N 438.619 2.085 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCSCC=C 1740638852 PBZIDGBCGWGIAZ-UHFFFAOYSA-N 428.587 2.230 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1740761694 YIVAODGYSBHFJP-FXAWDEMLSA-N 436.553 2.470 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCSCCCO 1741170442 DLDQBTAUWIMDSM-UHFFFAOYSA-N 429.594 2.284 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1741980800 FMZAMWSBOHEWSX-HZPDHXFCSA-N 442.495 2.332 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](OC)C2CC2)cc(OC)c1OC 1748524064 FIWGBADLAFHANI-VQIMIIECSA-N 443.504 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCN1CCCO 1748661778 KXXMGXGLBNNFJU-KNQAVFIVSA-N 433.560 2.436 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)CN(C)C)c1 1748692410 GREWPVRUHDFKSF-LJQANCHMSA-N 438.576 2.426 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC(C(N)=O)CC1 1749047067 NIMOEEOJVRLBSU-UHFFFAOYSA-N 427.574 2.488 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)CCO1 1749551966 HIKMMUZZJROFJS-FQEVSTJZSA-N 447.499 2.070 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)C1 1749708265 JBSYWVBHBXYSOO-RTBURBONSA-N 427.553 2.364 30 10 IEEE CSc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)ccn1 1750270230 PCFSEWWULSPJHL-LAUBAEHRSA-N 444.561 2.213 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C 1751003415 DFMDWEFJBPDXDF-HNNXBMFYSA-N 434.591 2.086 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1CCCO 1760101786 BFLFVFNPPHYGSO-PKOBYXMFSA-N 427.549 2.267 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1ccn(C)n1 1760172582 UHEBQQZWXWORJN-UHFFFAOYSA-N 427.553 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC[C@@H](C(F)F)N1CCOCC1 1760215801 NSOZVKBHZZUKJV-SFHVURJKSA-N 430.503 2.103 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1760235846 ZAZLVWXYPHEACC-MSOLQXFVSA-N 433.553 2.473 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1760364759 BIDCOTLMDCWOMP-UHFFFAOYSA-N 434.888 2.213 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N1CCOCC1 1760458417 FTKYHJFRJYEMOI-UHFFFAOYSA-N 429.521 2.222 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1760502615 GBOKWFMYBNLTEV-QFIPXVFZSA-N 446.621 2.130 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760525619 LNTVXQIAWYOSRN-FQEVSTJZSA-N 434.548 2.221 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C)C(F)(F)F 1768057408 YNGZEVMDYHHPHU-CZUORRHYSA-N 436.438 2.451 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCS1(=O)=O 1771113280 PDSLMJPSKSJDHA-KRWDZBQOSA-N 437.591 2.264 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCC1)C1CC1 1771354541 AZLWZDHRVNDXFM-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 1772792085 GPCDFLBDYZFJIO-IERDGZPVSA-N 426.425 2.471 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CO2)nc1 1851325267 DNZHUAWAVHAIJV-UKRRQHHQSA-N 430.823 2.462 30 10 IEEE CC[N+]1(C)CCC(N(CCN2CCc3ccccc3C2)C(=O)c2cnc(C#N)nc2)CC1 1853494508 FXGLPAXQLAYGJN-UHFFFAOYSA-N 433.580 2.478 30 10 IEEE C=CCN([C@H]1CCCCN(C(=O)c2csc3c2CCOC3)C1=O)[C@@H]1CCN(C)C1=O 1854224870 OPYYVBLCCITATL-ZWKOTPCHSA-N 431.558 2.061 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3ccc(F)c(Cl)c3)C2)C1 1856385572 ZNSYYIPQYDPIAD-ZDUSSCGKSA-N 428.851 2.498 30 10 IEEE CC(C)(CC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O)c1ccccc1 1857036041 FTOKQROGTUXIPG-SFHVURJKSA-N 431.558 2.295 30 10 IEEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(C)ccc1S(C)(=O)=O 1861002285 QCUJSLWHAXVKNK-PKOBYXMFSA-N 438.590 2.451 30 10 IEEE CCCCCCCCNC(=O)c1cn(Cc2ccc(S(N)(=O)=O)cc2)c(=O)cc1O 1870115169 LEEAABCMHKLXJN-UHFFFAOYSA-N 435.546 2.340 30 10 IEEE C=CCN=c1nc(Nc2ccc(OC(F)(F)F)cc2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871574012 VIWUOSSCGWXFBX-UHFFFAOYSA-N 437.426 2.202 30 10 IEEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873591364 HLTKSZGWDAFRIQ-UHFFFAOYSA-N 438.507 2.459 30 10 IEEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873593638 SSCNYNAHWJHFQC-UHFFFAOYSA-N 438.507 2.195 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC(COc3cc(C#N)ccn3)CC1)CS2 1891162599 VDDXUIZUUJZOQR-GOSISDBHSA-N 439.541 2.481 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1 1891553306 GZNVLYCILQIQBC-UHFFFAOYSA-N 428.514 2.324 30 10 IEEE C[C@@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)n1nc(-c2cccs2)ccc1=O 1891843213 MKOGQDBCZNWWJA-LSDHHAIUSA-N 436.497 2.264 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2csc3ncnn23)[C@@H]1c1ccc(C#N)cc1 1892145559 ZLTUZMFHMLUOCM-ROUUACIJSA-N 440.554 2.372 30 10 IEEE CC[C@H](C#N)S(=O)(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1994784706 YILRCMKCNLNEBF-OAHLLOKOSA-N 448.586 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2067765128 UUVDNUKPJHCLHD-BPKGMFCQSA-N 434.342 2.121 30 10 IEEE C=C(Br)CS(=O)(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068513954 JKBPUZQEMBHVQX-OCZCAGDBSA-N 439.372 2.107 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255632738 QSXQJTABSVYHST-HUUCEWRRSA-N 434.346 2.227 30 10 IEEE CN(Cc1ccccc1)C1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255649039 GRMWTQIMWJQYQJ-UHFFFAOYSA-N 425.313 2.476 30 10 IEEE CN(C)CCCN(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255824592 KNUOLKWQLABWJK-UHFFFAOYSA-N 426.370 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2255852219 AVKPXWFQFSERJC-JOCHJYFZSA-N 434.342 2.250 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255882864 WKOYOJWVEKYRMT-KBPBESRZSA-N 430.314 2.305 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255936779 MBDJOXBNTCBTMJ-UHFFFAOYSA-N 436.314 2.268 30 10 IEEE COC[C@H](CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2256680083 RDOZCPFCBKNHET-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120977 RTJCVPTYWCJJTF-KDURUIRLSA-N 436.365 2.208 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267147176 SGQYHWKDTDZNDG-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)n1 2267150149 BADNPOUNWIASSC-OAHLLOKOSA-N 446.357 2.108 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268669340 MRJZUEGZZJCACF-QGZVFWFLSA-N 446.353 2.415 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272636481 LSCQJYRXIAGPPB-WNSKOXEYSA-N 443.353 2.368 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@@H]3CF)cc2Cl)OC1(C)C 2282828806 VFSNCOJMAWGAMD-JTQLQIEISA-N 425.740 2.060 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C 2296226022 BEJMCFCBZBWKOU-MBOZVWFJSA-N 439.350 2.433 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2300333865 LCVYLYOFSPURKH-ZHRRBRCNSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2312975054 SCXGYWSFWPDDEW-QEJZJMRPSA-N 449.382 2.314 30 10 IEEE CN=C1SC(=Cc2ccc(OCC(=O)O)c(I)c2)C(=O)N1C 2313556771 KLCVBCQOJNVNHS-UHFFFAOYSA-N 432.239 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(Br)c(C#N)c1 2335416758 DMCKXEXVGLBNGV-ZDUSSCGKSA-N 446.323 2.197 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)[nH]1 2337025774 MGUVCCXXGDZEND-QGZVFWFLSA-N 447.385 2.407 30 10 IEEE NN[C@H](C#CC1[C@@H]2COC[C@@H]12)c1ccc(Br)cc1I 2341629468 PCCWEXSZORKXFI-SGMGOOAPSA-N 433.087 2.454 30 10 IEEE CS(=O)(=O)C1(C#CC(=O)[C@@H](O)c2cc(Br)c(Br)s2)CC1 2367848183 IGXPJYYXHTUCKC-SNVBAGLBSA-N 442.150 2.456 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)cc2C1=O 27612545 IUWKPTSJFJETSB-UHFFFAOYSA-N 436.487 2.160 30 10 IEEE C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35991795 DDFMZZUQZRPPHP-QFIPXVFZSA-N 440.544 2.229 30 10 IEEE C=CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)Cc1cccc([N+](=O)[O-])c1 63288409 BRGMNQYVRIDAAR-HNNXBMFYSA-N 444.513 2.208 30 10 IEEE C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(OC)ccc21 254616899 FOUGDEDVXHMJQU-UHFFFAOYSA-N 429.523 2.336 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 254758440 IAKXZFLSAKKFCH-APWZRJJASA-N 444.534 2.302 30 10 IEEE COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@@H](C)n3cnc(C#N)n3)c2)cc1 409683025 ALMYUSDBLVLCQW-OAHLLOKOSA-N 434.456 2.167 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)C(CC)(CC)C2)cc1 429191659 XUITZWBLOVXGLN-UHFFFAOYSA-N 443.591 2.314 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CC[C@H](O)CC3)nnc12 440022657 PMXYLGYJDWWJGL-SHTZXODSSA-N 427.530 2.084 30 10 IEEE COC(=O)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccc(OC)cc1OC 442161086 ACYCWGKQNKZWGN-GOSISDBHSA-N 425.441 2.243 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cc1 462088195 LMIOIJYUKLHZFX-LJQANCHMSA-N 426.440 2.328 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cc1 462093960 VRHZQVBNYAHYPL-IBGZPJMESA-N 431.456 2.070 30 10 IEEE Cc1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1S(N)(=O)=O 474761528 ZJZCYCAZMGJJQD-UHFFFAOYSA-N 428.514 2.267 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)ccc1F 480866321 AFZXEKVJDDIDEU-INIZCTEOSA-N 443.378 2.458 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)c(F)c1 481055388 HNMHXCSELGBJFM-HNNXBMFYSA-N 426.267 2.106 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CN2CCCCCC2)C1 481436581 TUBUDQNJVWODQY-UYAOXDASSA-N 432.590 2.340 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1C#N 489116503 WYIQQAXEBCTASZ-OAHLLOKOSA-N 448.570 2.161 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@@H]2C1 508946569 TZQKKVCUEYTZBP-GOSISDBHSA-N 430.578 2.056 30 10 IEEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 541667556 BDQYKQFJBQRXFB-CQSZACIVSA-N 442.463 2.193 30 10 IEEE Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(F)(F)F 543662964 NVRMKGSARYTDIQ-BDJLRTHQSA-N 436.442 2.222 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4cccc(F)c4C#N)CC3)ccc21 546784214 VKTIKILKRJMDJB-UHFFFAOYSA-N 449.486 2.284 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CNc1cc(I)cc(C(=O)OC)c1 556278410 WRYVSOMNCBJHEJ-LLVKDONJSA-N 429.258 2.498 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(c2ccccc2F)CC1 561399301 SBAHKFAMJIWXBC-MRXNPFEDSA-N 430.505 2.103 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C 576537936 XHNNPNPOXYKQMQ-BBRMVZONSA-N 443.338 2.372 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(F)c1 586860786 QOIWOUKYHIRPFS-UHFFFAOYSA-N 446.841 2.091 30 10 IEEE COCCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2ncccc2C#N)CC1 609161461 HKRDTZJZNRGONC-UHFFFAOYSA-N 432.484 2.127 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 611278598 FCDUWGIDRANQAZ-UHFFFAOYSA-N 442.277 2.191 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 669742007 XICITUWBCCLYOL-NRFANRHFSA-N 431.496 2.400 30 10 IEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCc2nn(CC)c(=O)cc2C1 669816446 LNSQEDRPHKIESV-UHFFFAOYSA-N 428.500 2.456 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 730546474 XTHXYDQDTUAUKN-QFIPXVFZSA-N 443.906 2.493 30 10 IEEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730716916 BRMKXWGGYFKAGF-WFASDCNBSA-N 444.492 2.101 30 10 IEEE N#C[C@H](C(=O)CCC(=O)N1CCOc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 731767697 FDYAZPFVXZXFCM-MRXNPFEDSA-N 435.436 2.311 30 10 IEEE N#C[C@H]1CN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CCN1C1CC1 732664506 KOYUZBXGGINYTE-SFHVURJKSA-N 430.555 2.290 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 734974714 UOJBUXWRUUAPAA-IBGZPJMESA-N 429.498 2.169 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCc3ccccn3)c2=O)cn1 735068252 GPHNMLUIDUJBOA-UHFFFAOYSA-N 449.580 2.272 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@H](C#N)C1 754383119 GIPZKQKOMCCDKK-CABCVRRESA-N 434.443 2.289 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(S(C)(=O)=O)cc1 758317461 ICIVKOJYEISZDQ-YSVLISHTSA-N 436.534 2.209 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccn(C)c2)c1=O 763438740 XDFRXTYVKJTNMP-UHFFFAOYSA-N 441.516 2.083 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)n1 788566338 WAFQYDGUGFYYNW-UHFFFAOYSA-N 437.422 2.489 30 10 IEEE CN(CCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(C)c1)c1ccccc1 789992095 SGPFWQHCXVLUTQ-UHFFFAOYSA-N 435.561 2.388 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(Cc3ccon3)c2=O)cn1 794639744 OJAVYBROWJOGHS-UHFFFAOYSA-N 439.541 2.061 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC[C@H]2C)c1 795176322 HZCAPWDHAYONON-NIKGAXFTSA-N 445.589 2.443 30 10 IEEE Cc1cc(Cn2nnc(C(=O)O[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)c2C)on1 796503982 FXHWSFVVOGEEDT-ZRKSEFCZSA-N 428.493 2.407 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)Oc1ccc(Br)cc1 803765875 NFQQOBSUBPLJGG-DLBZAZTESA-N 433.258 2.091 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 804456618 DGIORCYZKCPMLT-HXUWFJFHSA-N 426.538 2.380 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 812179195 KIYJDTTVXUMSMD-JKSUJKDBSA-N 435.525 2.162 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C#N)c(OC)c1 812251228 XSEJVOKTNQACGO-GOSISDBHSA-N 440.525 2.481 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 858071235 DVAVRHIZULBPEG-LJQANCHMSA-N 425.510 2.164 30 10 IEEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)CSc3ccccc32)cc1OC 916935785 WHSWGUQVMTYZPA-AWEZNQCLSA-N 425.466 2.490 30 10 IEEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 917699047 ATDOUJZCVPCSLB-HXUWFJFHSA-N 449.536 2.332 30 10 IEEE CC(C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccccc1Cl 1134428960 JCJOVAJIVOYRIM-ORAYPTAESA-N 433.921 2.054 30 10 IEEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1136915889 PNAGADANZCGWTF-IRXDYDNUSA-N 428.470 2.171 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1138049330 UDTHDKTWEVLPFA-KGLIPLIRSA-N 441.916 2.264 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N(CCC#N)Cc2cccnc2)C1=O 1142410227 GWEPMNJCOLAZBE-SFHVURJKSA-N 429.521 2.087 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)n(C)c1 1163652014 HVUIANZTFXMEFN-LJQANCHMSA-N 443.573 2.278 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(C#N)CCCCC1 1167053530 UPPUVXFEMQCSMD-QGZVFWFLSA-N 439.965 2.463 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)cc2n1 1178766367 XYIOAGMYSMVWSW-SFHVURJKSA-N 434.905 2.154 30 10 IEEE CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)C[C@H](O)CC1(C#N)CC1 1193486236 YGVKEKLEGXANIB-OAHLLOKOSA-N 445.379 2.359 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c1 1196963286 ZEQWMSIOOTXJNG-IFMALSPDSA-N 446.617 2.133 30 10 IEEE Cc1c(S(=O)(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)sc2ccc(C#N)cc12 1211509625 CHJWPZNNKKUMME-OQRWROFFSA-N 434.568 2.309 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1213384755 CUDOFJLSLSCPDS-GOSISDBHSA-N 444.575 2.037 30 10 IEEE C#C[C@@H]1COCCN1C(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1255284472 HDODXPNTVHKJAV-OAQYLSRUSA-N 442.560 2.283 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)CCn3cnc4sccc4c3=O)c2C#N)C1 1280417050 CSTHZCHUOIZXGK-UHFFFAOYSA-N 427.511 2.325 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1286387054 NGFOLEPIVZMUOJ-FXAWDEMLSA-N 446.573 2.251 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1286415155 LCNYONJXZDORRP-NFBKMPQASA-N 433.556 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286429721 JCSSPFZNAQEIGE-SFHVURJKSA-N 440.548 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C)c2)CC1 1286485402 KFLXUNUBUFGTOD-UHFFFAOYSA-N 448.571 2.031 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2cccc(C)c2)CC1 1286490051 GMIDTADDHRAAMK-WIYYLYMNSA-N 448.571 2.307 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1286582120 RHJHKGVWAZUSQU-KRWDZBQOSA-N 441.561 2.212 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1286683456 RGFKACZMQIHFSG-UHFFFAOYSA-N 432.550 2.295 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 1286891165 FEFGAMVOLSNCAF-RBUKOAKNSA-N 435.576 2.463 30 10 IEEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1287971328 XEUQJZWONNYRHP-QFIPXVFZSA-N 446.555 2.476 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1ccco1)N1CCCC1 1288099486 CQQDCBUYVQPUHX-IIBYNOLFSA-N 429.500 2.288 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCNC(=O)C2CCC2)CCOC1 1296591432 LNHRXXPMZWWFCS-QHCPKHFHSA-N 444.580 2.367 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 1297274823 DSSGYJVUGNTEGW-PKOBYXMFSA-N 425.537 2.223 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1297826945 HJUPQAUHRVPSAM-FZYZMVIOSA-N 446.552 2.236 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1299494369 AGGUECYJADAJQF-KRWDZBQOSA-N 426.521 2.246 30 10 IEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1300366979 UOHHUBLVMDTSBD-UHFFFAOYSA-N 429.590 2.499 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1300403427 LEWGHRUIGMNVQD-HZPDHXFCSA-N 426.487 2.353 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300497556 ZYQMXONZMUSIKB-ROUUACIJSA-N 436.578 2.106 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCCC 1300618211 APKAGBVUTYMDHR-UHFFFAOYSA-N 435.532 2.222 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1300991897 XMQMRWAICJALLX-NRFANRHFSA-N 443.548 2.152 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1301298180 ZSSFPBQIOKFPSI-SFHVURJKSA-N 430.578 2.154 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1301424704 NWCNLYQKUBIHOH-IPMKNSEASA-N 440.610 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(COC)cc2)C1 1301535065 HKQPYXPQIJULEV-HXUWFJFHSA-N 425.533 2.490 30 10 IEEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1301618710 WHRBZNQZWPAWBW-UHFFFAOYSA-N 436.603 2.226 30 10 IEEE CON(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(c2ccncc2)CC1 1302340094 XDJGXNSFAITSPT-UHFFFAOYSA-N 432.532 2.422 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCO[C@@H]2CCOC2)c1 1302983427 ZAIYQMJKUJQIJY-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE Cc1cc(C(=O)N[C@H](CC#N)C(F)(F)F)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1303850157 ZDIUZMLNGKRDDG-MRXNPFEDSA-N 428.436 2.375 30 10 IEEE C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1308052277 PEQQBKQPUCARNK-SBUREZEXSA-N 428.533 2.275 30 10 IEEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1309395965 CYOUGDRVIRFTIF-NHCUHLMSSA-N 427.526 2.231 30 10 IEEE CN(C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)CCSC1 1314651507 CGJSLVNAZTVCPW-NRFANRHFSA-N 431.610 2.081 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1nc(C)cs1 1316097649 GDODXVSDLQLHEE-OAHLLOKOSA-N 431.566 2.449 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1316236986 FKZGLVFAWHRAQA-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE Cc1c(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cnn1CCC#N 1356491427 LACPAXBFNAKZRD-UHFFFAOYSA-N 430.408 2.208 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)N1CCOCC1 1358880134 FPCIVSQZOYAPKC-HNNXBMFYSA-N 431.924 2.314 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)C 1358918926 LIBMYYXSIALFGF-UHFFFAOYSA-N 430.940 2.236 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359104107 YBRCGWTUMNNROE-JZJXAQOMSA-N 432.565 2.352 30 10 IEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](OCCOC)C1 1359151072 MCXJESJKNRCJHX-SFHVURJKSA-N 447.971 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1359329730 SBCVOYNFCSWCDD-ZIAGYGMSSA-N 425.942 2.208 30 10 IEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359346580 OVDWTMWVPPXXFX-BRWVUGGUSA-N 434.610 2.330 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1360319215 FFCUUQSZDNATOZ-UZLBHIALSA-N 441.598 2.270 30 10 IEEE CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439609803 CLKTUYKBWPTKAZ-KKSFZXQISA-N 433.530 2.363 30 10 IEEE C[C@H](CC(=O)NCc1cc(F)c(C#N)c(F)c1)NS(=O)(=O)c1cccnc1Cl 1448188553 RLXFHMLTNAXSTB-SNVBAGLBSA-N 428.848 2.258 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)c1 1454925905 WJUHTPWLDAHMFT-NRFANRHFSA-N 443.569 2.090 30 10 IEEE N#C[C@]12CN(C(=O)CCc3cc(Cl)ccc3Br)C[C@H]1CS(=O)(=O)C2 1463163206 MKFOHKSLVOMJLP-BLLLJJGKSA-N 431.739 2.432 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1470028513 JGDHKUDAFQBFOF-HNNXBMFYSA-N 430.505 2.103 30 10 IEEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)NCCn1cnc(C#N)n1)CC2 1470101752 DCOYOODBUJURBJ-QGZVFWFLSA-N 431.541 2.217 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1470959225 KCSCEOYHLULNHJ-ZEQRLZLVSA-N 448.567 2.410 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)C2)C1 1471110991 MNQHMEPFKDWJOF-OOWFEOPPSA-N 442.442 2.285 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)nc1 1471984193 QZEJNZDGIKVQSJ-POAQFYNOSA-N 434.418 2.167 30 10 IEEE C#CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1473797739 RWLMTZDSGGTSSN-UHFFFAOYSA-N 428.533 2.449 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3[nH]cnc3Br)CC2)c1 1474915879 HRUCQPCSUVJDQT-UHFFFAOYSA-N 438.307 2.083 30 10 IEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)C1=O 1475242328 NJJAXPMSEZOVQM-VQTJNVASSA-N 449.573 2.226 30 10 IEEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1492608484 BUGOUDLFCNMWQJ-GOSISDBHSA-N 426.546 2.255 30 10 IEEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1492814495 CVSIORUXKZKABL-SFHVURJKSA-N 429.546 2.331 30 10 IEEE CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1503261613 CDRBKMDXUSISLI-CLCXKQKWSA-N 427.546 2.073 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1503272801 CMRDGPSWSCMIBB-SFHVURJKSA-N 446.577 2.007 30 10 IEEE CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1503614230 AQKVKPCBDGIHQZ-BZUAXINKSA-N 444.502 2.420 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507577469 QGAMQBMULZXPRO-NVXWUHKLSA-N 447.333 2.481 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)cccc1OC 1507713628 QXCZHTVDCXUDGA-UHFFFAOYSA-N 431.924 2.197 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)CC1 1507735288 QUGYPRBBJSFXST-NRFANRHFSA-N 432.528 2.208 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(C)CCOCC1 1510153078 CBMUZJJRLHPAMI-MRXNPFEDSA-N 446.577 2.213 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1517308041 DOLYOSBPCFBAOK-UHFFFAOYSA-N 431.493 2.392 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)cc1 1534002160 DVVYRRVLGSHHEX-VZUCSPMQSA-N 427.482 2.476 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cc1 1534514915 BYRQPYJWNPILJH-UHFFFAOYSA-N 434.905 2.152 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCSC2)CC1 1539429970 FMENQPQOWKOJCS-VGOFRKELSA-N 445.564 2.180 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)on1 1539510432 INKSHOPPCQSVSA-UHFFFAOYSA-N 449.540 2.491 30 10 IEEE C=C(Br)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1539608847 FKHVLRGQYJLUPI-SFHVURJKSA-N 439.358 2.299 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1540006468 UNXQGQPHEMWRNN-HNNXBMFYSA-N 449.537 2.093 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1540874569 LHDIPIGSYORIGQ-MOPGFXCFSA-N 425.533 2.331 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1541233907 VBXFLDDXQDBBHW-HKBQPEDESA-N 440.573 2.175 30 10 IEEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541448815 DHBZJEAEDCVSQJ-FQEVSTJZSA-N 434.541 2.217 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(N)=O)CC2=O)cc1Cl 1544068199 BVXWTIUKTBGUNU-KDOFPFPSSA-N 445.306 2.431 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1C[C@H](F)C1 1554124391 AXVCNNRLXQOKHG-RUCARUNLSA-N 426.496 2.250 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1555769802 COUBRMXYIVMYIG-UHFFFAOYSA-N 432.282 2.386 30 10 IEEE CC(C)(C)OC(=O)CC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 1556132737 SOKKFNYAYFAPBJ-CVEARBPZSA-N 437.537 2.390 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1OC 1556619975 XVRSCQPKVYXZPW-PXNSSMCTSA-N 438.546 2.403 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](CO)C[C@@H](C)C2)cc1[N+](=O)[O-] 1557096929 KOHDNTWIINUTBX-CABCVRRESA-N 427.461 2.471 30 10 IEEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1562065485 YDASHNWRBIGTKK-MRXNPFEDSA-N 439.582 2.097 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(C#N)c(F)c1 1562172449 AVAUDIQTVJCPPW-UHFFFAOYSA-N 448.476 2.049 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2nn(-c3ccc(F)cc3F)cc2O)C1 1567387693 GWUXSANVWMXTCC-FZMZJTMJSA-N 433.415 2.345 30 10 IEEE CCc1ccc([C@@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1584071180 GLRRQWIKCZCHMF-HXUWFJFHSA-N 443.573 2.415 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588075159 ZHICWZLXLKPCGR-LXGFNABISA-N 436.578 2.104 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCOC[C@@H]1OC 1588093715 NPGXJLFJTZOUII-YJBOKZPZSA-N 446.349 2.170 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCCC2)CCOCC1 1588245753 PYTOMTLYBNRSOR-UHFFFAOYSA-N 449.603 2.248 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC[C@H](C(F)F)N1CCOCC1 1588420957 WBTGFEFXFHDDNS-QGZVFWFLSA-N 438.548 2.449 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1589048209 YAZDFFBLRMJZQS-UHFFFAOYSA-N 425.562 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1589171604 LPXCXPHKZGTLAJ-OAQYLSRUSA-N 438.488 2.128 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1 1589481621 BDFLEWBIARSLEZ-QFBILLFUSA-N 434.504 2.333 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1589651596 BSGYMCLVCHHYAX-QGZVFWFLSA-N 430.553 2.377 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1593661010 XWZBHEBFZZTNQG-KDURUIRLSA-N 430.597 2.302 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1594961583 CLVXIBGIGXDRAS-KBXCAEBGSA-N 444.479 2.253 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCc2ccccc21 1595603099 XTEJYIYLBGPRJN-CUWPLCDZSA-N 425.533 2.428 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CCO1 1618683550 FMRRHVWPICCDEL-QGZVFWFLSA-N 426.864 2.063 30 10 IEEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)CCS(=O)(=O)N(C)C 1621755873 FIGYAPPOJFWCPI-UHFFFAOYSA-N 439.534 2.234 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C1=O 1626599213 ZXMHIQJXEZINSL-SINXNMPMSA-N 425.507 2.399 30 10 IEEE C#CC[C@]1(C(=O)N2CCC(CN3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1628224937 BMTWMIYEMVNLGB-XMMPIXPASA-N 432.609 2.265 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1632944379 YMKVXZBLRSTDKG-CVEARBPZSA-N 429.525 2.069 30 10 IEEE CC1(C)OB(C2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)OC1(C)C 1637062218 TWLJKYVUEKNDCH-UHFFFAOYSA-N 445.281 2.405 30 10 IEEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1641770108 NEEHTZJWNZHIJH-HXUWFJFHSA-N 445.519 2.206 30 10 IEEE C=C[C@H](CO)NC(=O)c1ccc(I)c(I)c1 1642069712 IWRGVZUYGXMMGZ-MRVPVSSYSA-N 443.022 2.173 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccnn3)CC2)n(-c2cccc(F)c2)c1C 1643939709 CCPAFSREERLXLY-UHFFFAOYSA-N 434.479 2.051 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)c1 1650628382 HSUBSVHGKAHJTF-WGSAOQKQSA-N 428.510 2.403 30 10 IEEE CCOC(=O)C1=C(CN2CCN(c3ccc(C#N)cc3)CC2)NC(=O)N[C@H]1c1ccco1 1654540473 DVJCUFBWHISOAX-NRFANRHFSA-N 435.484 2.145 30 10 IEEE COC(=O)c1ccc([C@@H]2CCCCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1C 1655885502 BBUCZHROLPLCSB-FPOVZHCZSA-N 429.565 2.031 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1oc2ccccc2c1OC)[C@@H]1CCS(=O)(=O)C1 1689992442 KXLNLZZFIFJAJN-OAHLLOKOSA-N 428.514 2.270 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC(OCC)C1 1690062582 VLGGHZTUDNGVEE-UHFFFAOYSA-N 436.354 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1690139405 LBPGPVUAIFKOKX-XMMPIXPASA-N 439.560 2.327 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(C)C)CC1 1690661907 KTLUDYPYEGZXTE-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1scnc1C 1690676044 NMMVRCJUKKPFHO-UHFFFAOYSA-N 437.529 2.432 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2nc(C)no2)C1 1690684583 IXEXACWNJGDRJG-INIZCTEOSA-N 438.492 2.031 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1696836145 DIGFDSLKQUTGMP-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)c1 1697522476 AEZDURAGUXEHKI-FXAWDEMLSA-N 427.505 2.126 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1)OC 1697767128 MPUDVMORMIVLLT-VDGAXYAQSA-N 429.521 2.251 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1698023952 GQQWDSFFWVZEJV-DENIHFKCSA-N 437.592 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1705577509 ILMICEJYUSDUIV-NRFANRHFSA-N 429.572 2.163 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1(O)CCN(C(C)C)CC1 1705624855 RDDQTTMTMPNISL-UHFFFAOYSA-N 429.540 2.406 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760140 BDRRIQURUDAMEP-PXNSSMCTSA-N 427.977 2.228 30 10 IEEE C=CCNC(=O)Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909498 ZECWJHZTBMITCX-UTKZUKDTSA-N 437.610 2.199 30 10 IEEE C[C@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)c1nccs1 1706771147 DHWFBYAYSOSIKT-CQSZACIVSA-N 445.574 2.062 30 10 IEEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1709383108 GOVCZTIVKLDEOB-JEVUSQKCSA-N 444.561 2.304 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1709839786 BBAODAVTYZWCEO-SFHVURJKSA-N 439.520 2.058 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1710909791 TUFPVYMNSNKDFC-WJOKGBTCSA-N 435.557 2.307 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)O 1711958135 HRCVGLQBVYYZGO-UHFFFAOYSA-N 433.516 2.318 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](Oc4ccccn4)C3)n2CCOCCCO)c1 1712878037 CCZRSPRKMOHAPP-HXUWFJFHSA-N 434.500 2.268 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2COCCO2)CCO1 1712883526 RCSWTMLWWVQVHG-IAGOWNOFSA-N 435.431 2.081 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1sc(C)nc1C 1722449173 RDQISZFKRQDWIF-UHFFFAOYSA-N 442.545 2.408 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)CC1 1722456915 JEOJGJYYHZADSY-UHFFFAOYSA-N 439.994 2.047 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722525447 HYARNWNYNXBNCQ-UHFFFAOYSA-N 437.592 2.411 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCC2=O)CC1 1722537872 GUKHWTCHQYZKHO-RXVVDRJESA-N 447.580 2.186 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1722659054 PRVHCLQBAPNJKP-SFHVURJKSA-N 426.546 2.155 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccccc2)C1 1722719407 TZXVIQUCROVKNO-XUVXKRRUSA-N 446.573 2.349 30 10 IEEE CC(C)OCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723725904 GTQVZSVUSBTXNM-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1723781229 XWSYETDEEOEYLR-HNNXBMFYSA-N 432.475 2.134 30 10 IEEE CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@H]1CC 1729170012 CEAJFONABVZSDT-ZWKOTPCHSA-N 428.537 2.232 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)C1=O 1729591999 FNQWACXAYWNBMP-LJQANCHMSA-N 446.353 2.264 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740582719 HZNOHQWLBSAXFL-GOSISDBHSA-N 446.349 2.462 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1740585676 ZIUDHDAKYFYBLF-QGZVFWFLSA-N 429.496 2.266 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCN1CCN(C(C)=O)CC1 1740666179 FNEFGDLPADRYLI-UHFFFAOYSA-N 431.544 2.117 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740721230 BYYLPYOWBUZKMB-GOSISDBHSA-N 440.573 2.088 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740754481 FVPQHRAWJXJUEM-AZUAARDMSA-N 445.589 2.316 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740839821 OSUHMWSNLUBFJZ-SFHVURJKSA-N 426.496 2.399 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 1740939381 VXEYLNKBMRSWGO-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC2(C)C)C1 1740972035 CAXJPPRCYIJKPX-IXDOHACOSA-N 425.599 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H]1CC 1740985485 ICNFASAZWWHYSF-JKSUJKDBSA-N 432.550 2.151 30 10 IEEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CCO2)c1 1742492587 ALZCVDQPVFIKAR-FQEVSTJZSA-N 435.532 2.388 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCc1ccco1 1747730966 QIVAISUWVYMSBG-UHFFFAOYSA-N 430.472 2.096 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1 1748751788 MGNKZHCVEFXEHJ-RTBURBONSA-N 428.558 2.499 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1748817667 NVAOZXNMITUTKO-ZDUSSCGKSA-N 443.392 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C)n(C)c1=O 1748824806 IWCXACSCVPJCKN-UHFFFAOYSA-N 442.523 2.275 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1(O)CC(OCC)C1 1748943632 BQJYKKHKPPBJGU-UHFFFAOYSA-N 438.507 2.388 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCN1CCc2ccccc2C1 1748964581 GVSAESCMYIBCOT-UHFFFAOYSA-N 430.556 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2F)CC1 1749015079 RCWAYFNSLSHRGE-LJQANCHMSA-N 425.508 2.130 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1749532864 YUWVPWSSRFUTAW-GCJKJVERSA-N 438.557 2.161 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749683506 VXJVWLPSXOHLDR-DLBZAZTESA-N 448.568 2.125 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CCO1 1751039295 HGTBOTXDJDQSJY-LJQANCHMSA-N 429.521 2.130 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOCC1(C)C 1760125152 WZYJSPDDIZLNPR-GOSISDBHSA-N 427.549 2.434 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1760234545 QAMCLPWRIXDXRY-KQVJYAISSA-N 431.581 2.249 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1760279510 BARMIGFHWQADPX-ROUUACIJSA-N 429.546 2.374 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760282933 WEUDFWRBZMFCAD-LJQANCHMSA-N 447.992 2.230 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760321276 DNJUJWVRRFNPBT-PXNSSMCTSA-N 439.626 2.318 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1)C1CC1 1760476419 RPSRMSTZKKDZRI-UHFFFAOYSA-N 443.573 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1Br 1760523139 NHZFHRQLHLXWOP-UHFFFAOYSA-N 442.321 2.436 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCCC2)C1 1760543075 MPIQTFQOCRNHFR-ROUUACIJSA-N 438.594 2.311 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)C1 1760595512 MDNGMLTYHVCGLS-OXQOHEQNSA-N 431.541 2.334 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nncn1-c1ccccc1 1762185975 GILAOBLBEPUIHC-INIZCTEOSA-N 435.536 2.421 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1766741731 KYZADNALEUCPSN-WHDAMIPWSA-N 438.351 2.205 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)cc1 1768733144 CZXOZFSIAVLYBZ-UXHICEINSA-N 433.509 2.176 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1769156623 GQCLOAMEBWROTJ-OAQYLSRUSA-N 436.545 2.182 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1770433102 WFLKFUBWEVPUMC-BTYIYWSLSA-N 426.546 2.339 30 10 IEEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1771043084 BROIICSHDXSVCH-KFKAGJAMSA-N 429.546 2.428 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1772566939 NSKMTGICDMOTKZ-ULQDDVLXSA-N 448.568 2.171 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C(C)C)cc1C 1772792790 OMWFMQBBGDOQAC-SFHVURJKSA-N 430.482 2.361 30 10 IEEE C=CCN(C(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)[C@H]1CCN(C)C1=O 1850972049 KWIIQKRJBZTQRY-KRWDZBQOSA-N 433.472 2.054 30 10 IEEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 1851992549 GBBSRISQCXFFRZ-SFHVURJKSA-N 443.511 2.211 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cccc(Cl)c4)n3[nH]2)CC1=O 1852330703 LKELFCZHVLMBKE-KBPBESRZSA-N 440.891 2.313 30 10 IEEE COc1cc(C#N)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1852343693 OAWGUPUAGSLJJS-HOTGVXAUSA-N 428.489 2.221 30 10 IEEE NC(=NOCCC(=O)N1CC(CCF)C1)c1nnn(-c2ccccc2)c1-c1ccncc1 1853443258 IJSCLNZQZAMFLN-UHFFFAOYSA-N 437.479 2.174 30 10 IEEE N#Cc1cccnc1OCC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCS3)C2=O)CC1 1855594520 YQXRQMVLPPEVKI-MOPGFXCFSA-N 428.558 2.457 30 10 IEEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1857034105 LPRVIVJSZBWDCC-IAGOWNOFSA-N 426.542 2.387 30 10 IEEE C=CCNC(=O)[C@@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1861510855 RVYFMBXAAHNTON-HXUWFJFHSA-N 435.480 2.302 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1861574038 NDBRDVRZHJZEJS-BLRBJFNZSA-N 440.496 2.461 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1cccc(O)c1 1862591411 YLKSSFXKHVTBRG-OAQYLSRUSA-N 438.480 2.398 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862592914 AEJMBLCYQOXLKV-SFHVURJKSA-N 425.397 2.015 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c(OC)c2)c1 1862704876 KRDBINFJKIDCRV-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(=O)O)cc1 1862739610 CCQQVWPJIQVVNN-GTNSWQLSSA-N 426.381 2.252 30 10 IEEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN(CCO)CCO 1870322180 RIBWTRZKXMYTQC-UHFFFAOYSA-N 430.545 2.367 30 10 IEEE CCOC(=O)c1ccc(CN2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1872724496 IRTPSMZKWABXHN-UHFFFAOYSA-N 428.514 2.042 30 10 IEEE O=c1c(Br)c(N/N=C/c2ccccc2Cl)cnn1[C@H]1CCS(=O)(=O)C1 1873527123 MINQDLNOWXQPQN-TUVHXFJTSA-N 445.726 2.465 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661562 YHJBYZMWEWBJRD-UHFFFAOYSA-N 438.507 2.431 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874374846 PXEJYIHWYAXUJS-ZVBGSRNCSA-N 430.421 2.081 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 1889626195 IOCFSJAMKWURBG-UHFFFAOYSA-N 433.618 2.114 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NCCN3CCC(C#N)CC3)SCC(=O)N2C(C)C)cc1 1889818945 OWHNNPNOHKALMH-YADHBBJMSA-N 444.601 2.440 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC(C)(C)S(C)(=O)=O 1901324888 BPHPEZFFEZYCHV-MOPGFXCFSA-N 437.606 2.166 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2009972666 RPEQZQAFHNSSCM-SPLOXXLWSA-N 441.525 2.426 30 10 IEEE C=CCn1ncc(NCCOCCN(C)C(=O)OC(C)(C)C)c(Br)c1=O 2106111366 JZURFELPZQPURL-UHFFFAOYSA-N 431.331 2.487 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124535990 YLTGWTZZNBVWCP-BPUTZDHNSA-N 444.341 2.360 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2nc(O)nc(O)c2Br)C1 2126626640 YFGPOLYPRQJGRB-UHFFFAOYSA-N 429.271 2.450 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243381699 LWTITMNPJCUNIB-MLNJSSBLSA-N 426.344 2.255 30 10 IEEE CC[C@H](CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248403907 HGQKZVYCGFHYCP-GFCCVEGCSA-N 440.375 2.281 30 10 IEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255343947 BZVRALDYGZSXAX-CZUORRHYSA-N 436.314 2.214 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](CO)C1 2255378299 XZCLOXHOXAODHH-CVEARBPZSA-N 433.358 2.411 30 10 IEEE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2255632930 UIOFKMWQZKFGHV-GOSISDBHSA-N 427.354 2.441 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2255874031 QIGPBAAPUCTGPW-CVEARBPZSA-N 431.342 2.158 30 10 IEEE COC(=O)[C@@H](CC(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256598261 NXEFQBVMVOIUSL-LSDHHAIUSA-N 438.330 2.279 30 10 IEEE CC1(C)OB(c2cccc(F)c2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2266981465 JAOHFFKISLRQFF-LJQANCHMSA-N 444.234 2.408 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267012797 AEFVDIDICXLEDM-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267140798 FXOMZDLSZNCBFJ-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267194059 MRTRNPKOMQIULE-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2267482341 BSKYUMXHTSPJAR-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2267529187 JRFZRDNUPNOUJL-GJZGRUSLSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CO 2267821355 PQEHTACLDNEOPQ-HNAYVOBHSA-N 447.385 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267875248 FRAYUCQULGVFEB-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267880593 VAOCIFSVFPYCRN-CABCVRRESA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)nn1 2271596593 KZAYDRJPQMOYIZ-UHFFFAOYSA-N 449.361 2.436 30 10 IEEE Cc1cc(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273764888 ATZDKFBEQRJMEI-SFHVURJKSA-N 448.369 2.186 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2nc3ccc(Br)nn3n2)C1 2281273607 CMFXWPNIOAQMPS-UHFFFAOYSA-N 435.282 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2315694415 YRWJNUDPDKHVHU-KBPBESRZSA-N 449.382 2.381 30 10 IEEE CCOc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1OC 2322614651 LAXLRLZNUDFJFX-ZDUSSCGKSA-N 440.909 2.110 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2337184281 GKNMWGVFZNBAPK-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCCC#CCO 2343620413 LLYRFYOAAOKXIW-INIZCTEOSA-N 425.323 2.387 30 10 IEEE C=CCN1C(=O)/C(=C\c2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 33316094 LHNFHLNBGRWCPB-RVDMUPIBSA-N 428.539 2.227 30 10 IEEE N#C/C(c1nnc2n1CCCCC2)=c1/s/c(=C/c2ccco2)c(=O)n1-c1ccccc1 33729359 UQDOSLIPIAOGKX-IVSMOVAOSA-N 429.505 2.361 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 39915183 VUSFRXWUJWSQAP-CQSZACIVSA-N 428.557 2.349 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc1 59884607 LGEOIIDHWPBJOS-KEBDBYFISA-N 426.462 2.385 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)n[nH]2)cn1 59886862 WUAHHKNMOFUYAL-AWQFTUOYSA-N 442.505 2.027 30 10 IEEE CCOC(=O)N1CCC(N/C(N)=N/Cc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 305741405 ZUGJENUSDILQAL-UHFFFAOYSA-N 442.608 2.244 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 460694482 WVIGUXQTTINNCX-SJLPKXTDSA-N 426.521 2.246 30 10 IEEE N#Cc1cc(NCCCCN2CCN(c3ncccn3)CC2)nc2ccc([N+](=O)[O-])cc12 462814752 GDGRLLIWEUBLAX-UHFFFAOYSA-N 432.488 2.819 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CC(=O)N2C(C)(C)C)cn1 480073268 WFLLHTBQIVYDMW-QNWVGRARSA-N 448.571 2.345 30 10 IEEE COCCOc1ccc(Br)cc1NC(=O)NCCCc1[nH]nc(N)c1C#N 480996741 FPLSWDMXVVJWMH-UHFFFAOYSA-N 437.298 2.406 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCOCC2)c2ccccc21 481436047 NNFLVPIKNCAJAR-MRXNPFEDSA-N 425.510 2.320 30 10 IEEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 515739634 HBLPAAJDYQCMID-JTQLQIEISA-N 445.444 2.364 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cc1F 520226897 YWLCOOSVGXBVEB-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C#N)c3cc(OC)c(OC)c(OC)c3)cc2C1=O 524246698 ZTKWUEALFIOEMR-QGZVFWFLSA-N 435.436 2.489 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)o1 532448342 DXOPCHAGQVHYLJ-UHFFFAOYSA-N 449.532 2.159 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 539372590 AOSSYQIUBIZGIJ-IAGOWNOFSA-N 444.532 2.270 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 559006287 MNCPIZWUPJNGAN-FQEVSTJZSA-N 436.516 2.386 30 10 IEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 575164975 QMKGAVYVZIMWRF-UHFFFAOYSA-N 431.514 2.451 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 588132115 DSSWMIOMRSMKTF-WCKDDSQTSA-N 435.343 2.108 30 10 IEEE C=CCOc1ccccc1CN(C(=O)CN1CC(=O)NC1=O)c1ccc2c(c1)OCCO2 605511658 HIJPARPEHUXYRP-UHFFFAOYSA-N 437.452 2.108 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)N3CCN(C)CC3)cc2C1=O 641849867 QHOMJVSNINXNOJ-LJQANCHMSA-N 438.553 2.249 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 684536267 SNHIVUJCAJXPDB-KRWDZBQOSA-N 431.517 2.292 30 10 IEEE C#C[C@]1(O)CCCN(S(=O)(=O)c2cc(Br)sc2Br)C1 708216663 WCUUATDKAAEWLW-NSHDSACASA-N 429.155 2.422 30 10 IEEE CS(=O)(=O)Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)oc2ccccc12 726729111 LRKDATLDIWTOTF-UHFFFAOYSA-N 432.479 2.109 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccc(C#N)cc2F)C1=O 729818129 HMDXOPAHFHXMEH-BLWNTKICSA-N 425.489 2.271 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC1(c2ccc(Cl)cc2)CCOCC1 732453177 BRNPTKPKZRFDFN-HNENSFHCSA-N 432.908 2.214 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 743672198 VZTKFLFPWDDMIM-IBGZPJMESA-N 428.533 2.423 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](OC)C(C)C)c1 744431168 FKFRXDHZVCZYLG-PMACEKPBSA-N 444.601 2.338 30 10 IEEE C[C@@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)Nc1sc2c(c1C#N)CCC2 745518144 HLMVABMVFMOKJS-LLVKDONJSA-N 429.502 2.499 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2cccc(C)c2C)sc(=Cc2cnn3ccccc23)c1=O 758076336 SLLKQFFLAAPBOQ-UHFFFAOYSA-N 438.512 2.194 30 10 IEEE COc1ccc(CON=C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cn1 760429758 SDCNKRIKUSMTSX-UHFFFAOYSA-N 432.502 2.406 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1Cl 763717545 ZOPVUTRQFMKIRI-UHFFFAOYSA-N 430.877 2.295 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)CC1 764038983 YTFASJSEOOTRCL-CHWWFWEZSA-N 438.550 2.178 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CCN1C1CC1 768723030 UZKOIJPJIKTQQY-QGZVFWFLSA-N 432.406 2.028 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c12 778494331 XPIOXPKGEPSSCU-AWEZNQCLSA-N 426.498 2.074 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1 788817807 BBKCJWBBMFOGDZ-SFHVURJKSA-N 428.920 2.193 30 10 IEEE C=CC[C@]1(C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CCCN1C(=O)OC(C)(C)C 790888388 GRPMGRGVPFDJHU-QVKFZJNVSA-N 433.509 2.184 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)ccc1F 798070754 NSQQTUWDJYFHLG-SJORKVTESA-N 437.537 2.201 30 10 IEEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cnn(C2CCCC2)c1 799880101 CNWNSQZUSPBZKX-UHFFFAOYSA-N 431.566 2.165 30 10 IEEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 804022675 BAFPBFJUKMWDQM-RHSMWYFYSA-N 432.496 2.465 30 10 IEEE C#C[C@@H](n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C 804892285 BVKOLBCQOSFCND-GOSISDBHSA-N 444.586 2.314 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)c1ccc(Cl)cc1 810470198 FBVWPESWAQJOGU-HNNXBMFYSA-N 426.828 2.451 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 812177648 LFCJIQORLRHKJE-QGZVFWFLSA-N 448.568 2.125 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812270064 VHXIUUSPBHBSTE-ZWKOTPCHSA-N 432.521 2.198 30 10 IEEE CC(C)(C)OC(=O)N1CCN2/C(=N/CCc3c[nH]c4ccc([N+](=O)[O-])cc34)NC[C@H]2C1 849080983 AVAQASROYIYHEL-INIZCTEOSA-N 428.493 2.499 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 915098207 LUTFFSUOMZMVEK-CABCVRRESA-N 427.486 2.445 30 10 IEEE CCCCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 916873672 YIUZNNFMODVNQR-LJQANCHMSA-N 435.546 2.035 30 10 IEEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)NCCc2ccc(Cl)cc2)n[nH]1 1083962362 WFRXGUPKGFJVMQ-UHFFFAOYSA-N 432.941 2.397 30 10 IEEE Nn1c(NN=Cc2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084609250 SAFFNZDBVPBZMS-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)CC1 1128961800 FTROEPWQPVQAPH-INIZCTEOSA-N 433.530 2.169 30 10 IEEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCO1 1134490736 YMSMXGJBFCLEFF-SFHVURJKSA-N 445.463 2.247 30 10 IEEE CN(C)C(=O)O[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1170479035 GQLCSJQEGAVDET-DLBZAZTESA-N 443.548 2.129 30 10 IEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC[C@@](C#N)(c2ccccn2)C1 1196789407 KMOUMOACICAWJD-JTSKRJEESA-N 441.557 2.216 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCn3c(Br)cnc3C2)ccc1Br 1197301249 DBQZPMSJLYSYEZ-UHFFFAOYSA-N 446.124 2.484 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3cc(C#N)ccn3)CC1)CCS2 1251473346 WTDOHFQWZALSQD-BQIYRTECSA-N 429.546 2.002 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1286299611 XHDCIOOXHAZVSX-MDOVXXIYSA-N 436.965 2.199 30 10 IEEE C#CCCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286360995 XPUXLKUBADJPEJ-QHCPKHFHSA-N 429.565 2.323 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCS(=O)(=O)N1CCSCC1 1286516470 GYQUEYODCVWCRX-QFBILLFUSA-N 425.624 2.162 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)CC 1286581340 IMZMYKZZNDMWJA-UHFFFAOYSA-N 426.569 2.333 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1286606668 XIQXLNJAFCBKLA-VQTJNVASSA-N 436.516 2.271 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1)c1ccccc1 1286614711 BDXUWHSEKMYNON-GOSISDBHSA-N 432.594 2.132 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286699019 MONWTWCGYWEQIU-SFHVURJKSA-N 445.593 2.042 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H](O)C1 1286718511 MAPMSKHUYLCFJN-AEFFLSMTSA-N 433.578 2.369 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1286797810 BPWFTPNOZAUPEK-KRWDZBQOSA-N 448.568 2.065 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1287097967 AKXIURXCQWQTBW-RTBURBONSA-N 438.532 2.137 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1287486071 CMRBLCHDXGDLIH-QFIPXVFZSA-N 438.576 2.210 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)cc1C 1289742545 BRNDJPBZSNOHMK-YZGWKJHDSA-N 438.532 2.427 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCOC)C2)CC1 1296179737 HRAOYUNOSWTGHJ-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE Cc1ccc(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)cc1B1OC(C)(C)C(C)(C)O1 1298800910 WDQCNODGSAYPSR-UHFFFAOYSA-N 437.305 2.443 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1300308152 MXIIIYNEXCVVKV-IPMKNSEASA-N 445.589 2.458 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC2)c1 1300333878 DPYUQZADSDMKGA-SFHVURJKSA-N 441.557 2.037 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1300496085 NXBRHCHVGIBFHY-FXAWDEMLSA-N 436.603 2.073 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F 1300573149 DFJGKTBWIKNIKP-QGZVFWFLSA-N 438.463 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1300579074 RNVZHDDMQLEFRZ-IBGZPJMESA-N 445.564 2.212 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 1300640933 PAIPTNKCVMDRIQ-GOSISDBHSA-N 435.546 2.467 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nnc(C)s1 1300663590 BMOYMWLICMDCGN-UHFFFAOYSA-N 434.529 2.425 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1ccsc1 1300675924 WWTXHQKFLIUFIV-OAQYLSRUSA-N 428.562 2.195 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1300863140 JCNHFSWYYFSOGY-OALUTQOASA-N 447.580 2.331 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300975491 VLBHVFGGZYXOFW-QHCPKHFHSA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1301491151 LTFHANRNGZYTNF-LJQANCHMSA-N 442.564 2.140 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301568739 XGZOMFKFHSBPHB-HOTGVXAUSA-N 441.598 2.352 30 10 IEEE Cc1ccc(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)c(=O)n1C 1304365227 UDYNCVLOBLXKCZ-UHFFFAOYSA-N 433.516 2.166 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1314532241 QJCLAUYCHRAJOT-MOPGFXCFSA-N 438.557 2.462 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1314549260 UGPDSLFEIIYEPZ-UHFFFAOYSA-N 445.574 2.239 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2[C@@H]2CC[C@H](OC)C2)cn1 1321036379 XIESNSAUFVREPZ-HZSPNIEDSA-N 447.483 2.471 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)CC 1358875053 IJQTZOPAILZBES-MRXNPFEDSA-N 426.546 2.199 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCN(CC)CC1 1358876475 KORUFSAINHTXQL-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1358931671 JBMXBVPVFSLQTK-FQEVSTJZSA-N 438.507 2.188 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358957898 CIHQSKUWZUFKIK-VQTJNVASSA-N 441.557 2.114 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1359008062 FPSRFCNYATZXGN-ULQDDVLXSA-N 430.553 2.334 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1359010381 NWBPYSOBOCITNO-GOSISDBHSA-N 431.537 2.393 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359033229 UOYCXQZUUXARIQ-NHCUHLMSSA-N 447.587 2.071 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1359069175 DMPMZIIIKQXUIL-OAQYLSRUSA-N 440.529 2.141 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCN1CCC(O)CC1 1359071868 GVPLNJZWOHGZRE-JOCHJYFZSA-N 428.606 2.473 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359304597 CGGVQVSXKBKXQG-WMZOPIPTSA-N 444.967 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccs1 1359332139 QAUPPPVWXRTGIR-LSDHHAIUSA-N 435.575 2.233 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1359337351 PMPZXZGEDYFVDK-CQSZACIVSA-N 437.591 2.076 30 10 IEEE N#Cc1cccc2[nH]cc(C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)c12 1441404135 ISXQKQGJXJMKDH-UHFFFAOYSA-N 438.509 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)N1CCN(C(=O)CC#N)CC1 1445691158 PVZWQGCSEXTFAN-SFHVURJKSA-N 440.500 2.453 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@H](CC(F)(F)F)C2)s1 1453899951 PQDBBEHNSHHGRA-NWDGAFQWSA-N 426.482 2.323 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 1454695824 HFZPWXLKLDHFRB-UHFFFAOYSA-N 442.541 2.344 30 10 IEEE Cn1nccc1[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1460119677 CXMTXENFEVZFSM-KHYOSLBOSA-N 427.892 2.335 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 1464028483 REWVOKNDCIQNPN-UHFFFAOYSA-N 432.445 2.162 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 1464590883 KZPIBJISIICPOG-UHFFFAOYSA-N 442.603 2.343 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C(C)C 1465238295 YAPYKHTVHGHALZ-IBGZPJMESA-N 448.589 2.477 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)c1cc[nH]n1 1465390179 JPZOLPMUWJLNSY-AWEZNQCLSA-N 433.896 2.132 30 10 IEEE Cn1nc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(Br)c1C(F)(F)F 1471717871 HUVPVBHYHLDBAP-UHFFFAOYSA-N 443.227 2.430 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3CCC(C)C)CC2)c1C#N 1492727728 FBFUQOJRPUREND-SFHVURJKSA-N 426.569 2.458 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503304051 CFBRJUAYWBPUGC-PLTNMMHCSA-N 442.589 2.092 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1503344752 YSKMLSMCLHPNTR-INIZCTEOSA-N 448.618 2.430 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1504012221 URSGEIGPDRZZGC-MAUKXSAKSA-N 443.470 2.445 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1504321112 BLOAXFKJXCXOBD-DYESRHJHSA-N 428.468 2.010 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCN2C 1504888684 YHACCVBCJJAEDB-IBGZPJMESA-N 437.548 2.026 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)N1CCOCC1 1505069914 NNKBKQDDWWUJFY-OALUTQOASA-N 446.596 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCN(CC)CC1 1507522874 YHJNRFHIGBOQJY-ROUUACIJSA-N 425.537 2.337 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1507634010 HWFYMMPJPNCSKS-HXUWFJFHSA-N 444.605 2.004 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NC(C)C 1507689742 MMEPYIUYQFUMDD-UHFFFAOYSA-N 432.569 2.377 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCO[C@H]1C 1507702385 UPMFOYITONLLCD-GWJPWWOOSA-N 428.508 2.491 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1507753021 BOTWXGYHVMWONK-MRXNPFEDSA-N 427.530 2.003 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1507870068 DBJNMSJQDLWBFE-UHFFFAOYSA-N 435.985 2.240 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CCOC1 1508145971 SCUJDXGGXBWANI-HNNXBMFYSA-N 440.516 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](COc3ccccc3)C2)nnc1C(C)(C)C 1508149727 WRTRWWUCMYVMKO-IBGZPJMESA-N 448.589 2.461 30 10 IEEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508741782 DFJIVFVSGPVUBQ-OAHLLOKOSA-N 436.438 2.092 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(c2ccccc2)CC1 1510187960 BCYFWWHSHAMDAY-FOIQADDNSA-N 432.525 2.062 30 10 IEEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1515587342 DXAMLMGOOALMRS-SFHVURJKSA-N 439.564 2.128 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCCOCC(F)F)c1 1521076328 WIIXUPOXANXAMC-OAQYLSRUSA-N 430.459 2.347 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3c(F)cccc3-n3cccn3)C2=O)cc1 1521718506 NYECFXQAKGXQGE-IBGZPJMESA-N 446.442 2.404 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1538961477 AWMLGSFOSDGNIQ-FPOVZHCZSA-N 438.576 2.256 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H]1OC 1539399675 PEWYELHKUIEHGO-UYAOXDASSA-N 446.573 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](OC)c1ccccc1 1539409043 MJLFHPRXPIVVKA-FQEVSTJZSA-N 437.500 2.480 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539434856 VXBLYRDWEZEKFY-QUCCMNQESA-N 439.560 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)N2CCOCC2)CC1 1539435980 FOJPHZLJTPSRAP-SFHVURJKSA-N 428.968 2.074 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)CN2CCCC2)CC1 1539475723 NFQHJKJRZWOVLN-LJQANCHMSA-N 435.576 2.038 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539626011 AKFCOKQZQKAUSY-NSHGMRRFSA-N 441.580 2.402 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2ccccc2)CC1 1539722813 SZFFGUGAQKWSSN-UHFFFAOYSA-N 427.549 2.497 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C(C)C)N2CCCC2)CC1 1539874661 OASVNRUNONFDEE-PKOBYXMFSA-N 438.642 2.411 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1540028097 JBLHHGLBEDWEJB-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1540072907 ONTHKZGOZLRAKG-IEBWSBKVSA-N 433.578 2.427 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1540870878 YZTWFMOSZBREMI-MSOLQXFVSA-N 438.580 2.237 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540875389 KHVNYKPCTYDXFN-GWTOYCKXSA-N 445.951 2.410 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540918209 MKYYAHLWYPIZBD-OAQYLSRUSA-N 441.649 2.399 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1541116048 IOLKXFTYXARHFZ-GDBMZVCRSA-N 434.541 2.029 30 10 IEEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1559944602 SIUNRNFBBGFUQI-OAQYLSRUSA-N 442.445 2.277 30 10 IEEE CCC1(N2CCOCC2)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1560045932 WUWVHKYORYKLLQ-HXUWFJFHSA-N 445.633 2.034 30 10 IEEE CN(CC(=O)NCc1ccc(C#N)s1)S(=O)(=O)c1ccc(Br)cc1 1585413894 JMTALBAPFDZDIB-UHFFFAOYSA-N 428.333 2.319 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1587766236 RGFCJDRDCOIJGI-LJQANCHMSA-N 432.546 2.465 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(C)CC1 1587969744 DDPWACDQVDMOBX-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1588012120 XFTOXBDHKBKWGV-KKSFZXQISA-N 429.546 2.067 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588029149 DPCQNJPHEHNFGP-GOSISDBHSA-N 449.621 2.259 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588045571 MUGIWSDBQPMBMC-GCJKJVERSA-N 447.605 2.098 30 10 IEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1588069919 UZXUOJGEIVECML-RBUKOAKNSA-N 446.573 2.136 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588074733 QKJLIZJTXWNREB-MAUKXSAKSA-N 434.587 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1588205572 PDOSZPUFAYJSHD-UUOWRZLLSA-N 438.528 2.355 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)CN2CCCC2)CC1 1588848470 GVHUYWHRASSMNM-SFHVURJKSA-N 427.622 2.121 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 1589089685 VJOKIGZYBZQFNL-UHFFFAOYSA-N 440.617 2.179 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1595133918 OSNLYLOJXKGTRD-OAQYLSRUSA-N 436.553 2.358 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)CC[C@H]1C 1595545336 VRMBMJONZBLPSY-QZTJIDSGSA-N 438.580 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(C)o1 1595823158 KYAWFFOIQSXJEM-QGZVFWFLSA-N 447.561 2.244 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1596806098 CPYDMQKIRSTLMJ-OAHLLOKOSA-N 445.545 2.137 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nnc(C)s2)c1 1611927669 DMKJSHZEGBQNOT-QGZVFWFLSA-N 425.518 2.411 30 10 IEEE COC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1619731167 SMLPCIYTRJBSFE-GTCCEBARSA-N 445.520 2.072 30 10 IEEE N#Cc1cccc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1Br 1622505424 MOSRUWLNDFSYKF-AWEZNQCLSA-N 444.285 2.375 30 10 IEEE COC(=O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@@H](OC)C1 1628303629 IAPVWWGYHRMEQS-QWFCFKBJSA-N 436.549 2.500 30 10 IEEE C[C@H](NC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 1632714651 AZFSPSZNXZEJNU-RFUDCGQUSA-N 443.507 2.326 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cn1 1635452848 GZMJJNOCWNPQCA-SFHVURJKSA-N 433.468 2.498 30 10 IEEE CC1CCC(N2C[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)CC1 1641855834 TZGAIDRJBJCSAL-AQFXKWCLSA-N 427.501 2.318 30 10 IEEE CN(Cc1ccc(Br)cc1F)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1651179010 CDUJFSWUQCKTLW-UHFFFAOYSA-N 440.294 2.397 30 10 IEEE COC(=O)[C@](C)(Cn1cccn1)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1655032521 TVPYOBWPWMQDNX-QHCPKHFHSA-N 434.500 2.322 30 10 IEEE CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C#N)CC2)c(F)c1 1666193303 MKROFVZEZPOPCC-UHFFFAOYSA-N 432.433 2.319 30 10 IEEE COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1686083764 DUBCEXLWKBRKOO-ONTIZHBOSA-N 439.560 2.337 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1 1686549224 ZUFNJDQKYQORSA-FPOVZHCZSA-N 426.561 2.221 30 10 IEEE C=C[C@@H](C)ONC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1686939132 FFMICOAGKRLZQU-TZMCWYRMSA-N 432.340 2.408 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1689826707 SWZHISSYJBVBDL-RYUDHWBXSA-N 445.467 2.135 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1689842183 VVPAJIXZBXQWNY-HNNXBMFYSA-N 430.530 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC(C)C)nc1 1689999865 KBKOORALLYFPBI-UHFFFAOYSA-N 429.484 2.229 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@@](=O)CC 1690031472 LTJFGWJLWZQXFF-PMERELPUSA-N 445.976 2.093 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccccc1F 1690032763 IREKZSFKZQBNMB-QGZVFWFLSA-N 431.537 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1690043534 DVKXSXNKFPPXDH-GOSISDBHSA-N 443.555 2.138 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2nccs2)CC1 1690135419 WJGJGOFKUPAWLB-SQNIBIBYSA-N 430.578 2.018 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1690334070 CSBNGRJFQJAHMG-CQSZACIVSA-N 425.942 2.173 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CC)C1 1690688072 NZKACHPKYGDEFR-LAUBAEHRSA-N 434.562 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690715321 IWSNPTPFEOIMTH-QZTJIDSGSA-N 447.609 2.288 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1695000965 CDDUJRGTJHUNDH-SNAWJCMRSA-N 431.500 2.351 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOC(F)(F)F)CCO1 1698494387 VPYKKWWAKZHDPM-BBRMVZONSA-N 439.394 2.446 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705510158 UCNMGNGSJAAUKN-INIZCTEOSA-N 446.533 2.127 30 10 IEEE C#CCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1705539097 JJCULGYBRHWGRX-QHCPKHFHSA-N 436.516 2.267 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccc(C(F)F)n1 1705544718 BIQKIGUJFGKURV-UHFFFAOYSA-N 432.456 2.194 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)c1cc[nH]n1 1705546672 HLZLAVQJOWPLET-UHFFFAOYSA-N 446.284 2.069 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCC1 1705611161 RWAVBCWQBWETJN-UHFFFAOYSA-N 429.594 2.182 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1nnc(C)s1 1705621023 OJWONOJXTQLCMW-UHFFFAOYSA-N 439.520 2.388 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccn2)CC1 1705652403 YEAJQKYAZXTTKU-UHFFFAOYSA-N 441.605 2.285 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1705697266 KSLIRPNPSRPNOF-KURKYZTESA-N 449.552 2.062 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCO[C@H](C)C2)CC1 1705784079 GPICRXCLNWKVOL-LJQANCHMSA-N 430.597 2.304 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1705840740 AJEYIWOKTQQFIK-LPHOPBHVSA-N 438.532 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(OC)c(OC)c1 1705938985 ONQPKKZPXKWUDI-UHFFFAOYSA-N 432.506 2.040 30 10 IEEE CC(C)OCCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1706712205 VGUHNMHXJXQYRR-GOSISDBHSA-N 428.537 2.232 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C(C)C)N1CCCC1 1708756762 HHHDTLDBHHUOKB-RTBURBONSA-N 431.585 2.046 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc([C@@H](C)O)cc1 1710698226 SVMOXYJZPWSGRZ-OAHLLOKOSA-N 434.500 2.451 30 10 IEEE COC1(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1711615116 AFYWYBKBQGWOSK-QGZVFWFLSA-N 445.545 2.037 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CC=CCO2)cc1 1712880365 GVBBKXJCQMAGSW-AZUAARDMSA-N 436.516 2.166 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1722283040 GUAHNGFYWIJCKQ-IEBWSBKVSA-N 425.533 2.399 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1722386308 SZTCAPXHWVUPDV-IBGZPJMESA-N 426.542 2.063 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1722405974 JCBXLSNBGNPWTO-KRWDZBQOSA-N 443.548 2.151 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)CC1 1722435085 BHLRFWSLLIMUSN-UHFFFAOYSA-N 431.466 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)nc2)CC1 1722450079 WPJUVHNZTJYUSC-UHFFFAOYSA-N 449.603 2.486 30 10 IEEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1722623269 ZWKWQZGHRVWNGQ-QGZVFWFLSA-N 425.541 2.147 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1cccc(O)c1 1722696484 ACFJQGFRRAHAGI-AWEZNQCLSA-N 438.488 2.211 30 10 IEEE CC(C)N(C)CCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723519934 QEHSHUVZDFZXCX-UHFFFAOYSA-N 433.520 2.000 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cccc(F)c2)CCOC1 1728814907 BAEJDNCZXGJXSL-UGKGYDQZSA-N 429.496 2.431 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C[C@H]1O 1729782239 CIHNSTMMZZRTMB-HSALFYBXSA-N 439.516 2.136 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)COC 1740539680 QRUIZJRONQRMAI-MRXNPFEDSA-N 433.578 2.326 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740586119 PDLLCYSMHZPMBQ-SIKLNZKXSA-N 435.576 2.132 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740621702 OHASSKIDJGPTOS-INIZCTEOSA-N 442.570 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCn1c(C)nc2ccccc21 1740629341 KCZZWEGTRUEQJJ-UHFFFAOYSA-N 429.528 2.335 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCOc2ccccc21 1740678342 KBSNSAYUMUJWNW-SFHVURJKSA-N 425.533 2.459 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N(C)C 1740682439 VKTKGZUHQLIRGL-UHFFFAOYSA-N 434.338 2.190 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(N(C)C)CCSC1 1740683215 YQIVLOWSDOXJHP-QFIPXVFZSA-N 429.590 2.477 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1740799156 GYEFYRUBBRGPAQ-UHFFFAOYSA-N 443.573 2.241 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740885345 DSELURLKZJOLNG-ULQDDVLXSA-N 448.568 2.171 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740888865 JTHSNOHGKQPUCP-XSLAGTTESA-N 425.599 2.496 30 10 IEEE CC[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1744804267 JDCNLQOHFWGNMQ-APWZRJJASA-N 446.577 2.293 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747784635 OGOOHPOHELXIFQ-RJCBAWPRSA-N 442.545 2.396 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ncccc2N(C)C)c1 1748694700 LLGWLGGGMKRXPN-UHFFFAOYSA-N 447.543 2.380 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1748731018 YLVSIFDAQJRQAH-PMACEKPBSA-N 446.596 2.389 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1 1748784371 LPXGCRRSUGATMH-UHFFFAOYSA-N 429.594 2.184 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2nncn2C)CC1 1748999426 VDLOTLDSORHKTQ-UHFFFAOYSA-N 448.575 2.087 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749027214 XOZCCEZNBQMZJH-INIZCTEOSA-N 441.557 2.140 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1749465116 NDHQIHXCMJCNBV-IRXDYDNUSA-N 436.582 2.331 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C[C@@H](C)O1 1749547939 PSNLMUYQVSPFQE-XLIONFOSSA-N 440.548 2.219 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](CC)C1 1749659494 FLKQRVHMTSTAOM-MRXNPFEDSA-N 429.546 2.350 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1750057495 UXJRYDJNHPJWDE-QHCPKHFHSA-N 441.532 2.254 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CC=CCC1 1750752545 YCNIGWGMELWTSK-IBGZPJMESA-N 435.580 2.115 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccc(F)cc2)cs1 1751783738 ZVUBVDUWLSCMFA-WIYYLYMNSA-N 442.520 2.409 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1Cl 1760171248 YBZVOTBSYKSKAJ-UHFFFAOYSA-N 449.902 2.389 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1760235768 WQLHSEHGVAPABP-GOSISDBHSA-N 434.585 2.386 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1760329577 DUURBFDTVWVJSD-CQSZACIVSA-N 425.530 2.487 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CS(C)(=O)=O)CC1 1760454596 PGEAXWGFNJNQTO-UHFFFAOYSA-N 428.356 2.483 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCN/C(O)=C1/N=CC=CC1=O 1760480019 ILESYWZALGYTQP-DQRAZIAOSA-N 431.500 2.431 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC)C1 1760543000 PLCACWBXGYTZCZ-ZWKOTPCHSA-N 427.505 2.076 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1760695178 BUJFLASYIYOSMS-WMZOPIPTSA-N 436.582 2.097 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1760695254 DPDZJEVZCLPNIX-NWDGAFQWSA-N 425.502 2.072 30 10 IEEE CC(C)(O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760815376 FJESPHOWVVRVLF-UHFFFAOYSA-N 432.532 2.018 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCC2CCOCC2)CCOC1 1761291781 ONJYVZFGZCUGBR-KNQAVFIVSA-N 433.553 2.254 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)N2CCOCC2)cs1 1762279798 RNVAOFXWTVUDIK-MRXNPFEDSA-N 429.594 2.485 30 10 IEEE CN(C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1768417285 AYYHCEVUDLZVRW-FQEVSTJZSA-N 433.516 2.337 30 10 IEEE N#Cc1n[nH]c2c1CN(C(=O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1)CC2 1850386286 PWCRYOLYZHFNJS-SFHVURJKSA-N 435.406 2.138 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1851758371 KEGOZCWNEJODRF-NSHDSACASA-N 429.230 2.436 30 10 IEEE Cc1noc(C)c1CN1CC[C@H](N(Cc2cnnn2C)C(=O)c2ccccc2OCC#N)C1 1853420625 LDCJSXPPLJSNHE-SFHVURJKSA-N 449.515 2.239 30 10 IEEE CCOc1ccccc1CCC(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1855026866 CTYFHEKEQNVKLK-SFHVURJKSA-N 430.482 2.437 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnn1CC 1857019583 ALLRETZSJDCAOQ-INIZCTEOSA-N 428.514 2.362 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C2=O)CC1 1857338411 CNDKOGXNWYPCNQ-WMZOPIPTSA-N 432.908 2.269 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1861813719 JMRBCQORJMOAJS-IBGZPJMESA-N 425.441 2.472 30 10 IEEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870387204 UWTLRNIKWFGKBZ-QFIPXVFZSA-N 445.947 2.464 30 10 IEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870904461 RHGNVOVZNSQUDC-UHFFFAOYSA-N 431.445 2.431 30 10 IEEE Cc1nc(N(C)C)sc1/C=N/n1c(S)nnc(Cc2ccccc2[N+](=O)[O-])c1=O 1873494852 GMCWZKZVPCXTOH-GIJQJNRQSA-N 431.503 2.139 30 10 IEEE CCOc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OC 1874341922 WDEJZSADCPAULL-BFTVFPACSA-N 447.561 2.376 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(OC)c(O)c1 1874470750 PAFPZFLVDOPQQJ-KEBDBYFISA-N 448.530 2.251 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 1984912511 GJSKYWHKYXPTFK-XHSDSOJGSA-N 427.542 2.332 30 10 IEEE C#CCCN1CC[C@@H](NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 2024556013 CQPTYYBXXBZGPM-RTWAWAEBSA-N 428.577 2.226 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2060622163 WODCNLJGZNZKMS-NRFANRHFSA-N 432.330 2.408 30 10 IEEE C=CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(Br)c1=O 2122555429 WSYXDNQCBABQAT-CHWSQXEVSA-N 429.315 2.238 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2124524064 NOONQNHEVFTGHV-QHCPKHFHSA-N 446.353 2.286 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)B1OC(C)(C)C(C)(C)O1 2243417159 QLSDRBPWFJATGP-OAHLLOKOSA-N 430.376 2.397 30 10 IEEE Cc1nc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247904387 AKVSTDUGOFKHQG-OLZOCXBDSA-N 437.371 2.394 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904513 OUDORZGPSCODDR-XHSDSOJGSA-N 442.387 2.491 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)[nH][nH]1 2248406434 YGSKSWOVOFEDOI-UHFFFAOYSA-N 435.315 2.187 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@@H]2C1 2255377685 QIAMGMNWHLTQIE-HZPDHXFCSA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255603960 JEQRONMKXAKMCZ-CYBMUJFWSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255819141 WRQXJZCQAUKUEA-UHFFFAOYSA-N 439.293 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255825918 HRKSLMKAEMGUJE-KBPBESRZSA-N 434.346 2.132 30 10 IEEE CN(CCCN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255831625 YSIDJTJLBPNVQC-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267092831 YMJWXVVHLCFSPQ-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 2267525477 FBVFJWMXHQNMTK-LJQANCHMSA-N 438.381 2.422 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1 2267599334 NQJHUVANGJFESE-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 2269033155 WUHUYMQCUHQYCH-GOSISDBHSA-N 442.321 2.202 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2282173748 LRIHUXRTXVQXPO-UXHICEINSA-N 448.376 2.370 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2300305224 TUDFSFAQBFELMI-IRXDYDNUSA-N 425.363 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2300339832 KGOAYTHIYRYISQ-UHFFFAOYSA-N 435.355 2.135 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2N=Cc2ccccn2)cc1 2330736093 PPJFAOOCXMRHIV-UHFFFAOYSA-N 437.529 2.485 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)n1 2337025150 IFHWGVGMNXZDMO-SQNIBIBYSA-N 445.369 2.418 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc1 59309837 FNONRSXFXBFFOR-UFFVCSGVSA-N 428.522 2.018 30 10 IEEE C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccc(F)c(F)c1)C2 91897688 AOPIDFSZMWBALM-QGZVFWFLSA-N 429.515 2.382 30 10 IEEE C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409612769 NKYQPLRDQXAWSN-GFCCVEGCSA-N 431.294 2.351 30 10 IEEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(Oc2ccc(C#N)cc2)CC1 507820012 YTLZJGHBMIERDG-HNNXBMFYSA-N 428.514 2.076 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1C 514330113 VACZZMHWDFDLGE-UHFFFAOYSA-N 448.504 2.145 30 10 IEEE C[C@H](C#N)CN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CC1 533137850 GCZPSUCITZYNQC-IKGGRYGDSA-N 434.562 2.047 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)n1 541103527 QAFCDUWMKQBLOO-DNVCBOLYSA-N 449.920 2.255 30 10 IEEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542958605 FOQXAHAXVGAXGG-SFHVURJKSA-N 441.923 2.168 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)CC2)n1 545462650 MUCFLNIFEJCIEY-UHFFFAOYSA-N 428.496 2.352 30 10 IEEE COc1ccc(Br)cc1[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 548267339 CUIMVDPYHHMRPS-HNNXBMFYSA-N 425.260 2.434 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 549287782 NHOIKXOCSMDSKK-NRFANRHFSA-N 436.560 2.275 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1Br 579772451 FLWNBHDXWDVFSH-LBPRGKRZSA-N 440.298 2.197 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(F)cc1 590973393 CDPNEMHYMFLXRQ-UHFFFAOYSA-N 443.450 2.346 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cc1 603787102 SAZWWQUACONXPB-UHFFFAOYSA-N 433.508 2.382 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 619840943 VWFBXTQERJKLNF-LJQANCHMSA-N 426.521 2.260 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1C#CCN 703978604 QPQJFWJXJLOQIU-UHFFFAOYSA-N 425.510 2.061 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(C[C@@H]2CCCO2)C1=O 730136751 AQIQEDXJTURDPO-VQTJNVASSA-N 444.601 2.354 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1C 730143204 RZYRUAJIPUQJDD-HKUYNNGSSA-N 432.590 2.482 30 10 IEEE Cc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NCc1ccccc1 732663936 HZBGYIAVPXAGTJ-NRFANRHFSA-N 438.553 2.286 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1-c1ccccc1C 736582283 KFXNJILARZYHFJ-UHFFFAOYSA-N 436.562 2.086 30 10 IEEE C#CCN(C(=O)CN(C)Cc1nnc(C)n1C)[C@@H]1CCOc2ccc(Br)cc21 746259774 PKFBJETUXJPGFE-QGZVFWFLSA-N 446.349 2.303 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 750173392 BSRJHVYKCDCVBP-BVGQSLNGSA-N 449.454 2.293 30 10 IEEE COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 754497312 GYFYUQBQQUOXSY-UHFFFAOYSA-N 447.451 2.103 30 10 IEEE Cc1ccn(-c2ccccc2CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 768304605 PODSPWSOFBZLTP-UHFFFAOYSA-N 437.525 2.316 30 10 IEEE COc1ccc(CN[C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)cc1C#N 773074462 GDBLXSDMVLJFAI-AWEZNQCLSA-N 437.543 2.143 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccc(OC(F)F)cc2)sc(=Cc2ccoc2)c1=O 776282403 HSUULDHMICQRJA-UHFFFAOYSA-N 446.431 2.137 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)C[C@H](C1)C2=O 778612377 XLLXOBPSGYAJFL-WTXIUTQJSA-N 426.473 2.191 30 10 IEEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC2CC(C)(C)C2)C1=O 780322890 OGMZIPVJULYBBI-MJOLOOBESA-N 445.633 2.428 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cncc(Br)c1 789968556 PWQZRCYLGAZSNK-LLVKDONJSA-N 436.339 2.320 30 10 IEEE COc1cc2c(cc1C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1)OCO2 790833091 PVIZZXQCGTVXNH-UHFFFAOYSA-N 439.243 2.177 30 10 IEEE CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)sc2c1CC[C@H](C)C2 798742104 ZQJUZVSWTRJLLB-RYUDHWBXSA-N 445.501 2.256 30 10 IEEE C#CCCn1c(-c2cccnc2OC)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192124 LICHSJLJNWFGPE-UHFFFAOYSA-N 428.539 2.392 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 804875650 RBPDPYJVMRJPFW-GOSISDBHSA-N 447.582 2.203 30 10 IEEE C#CC[C@]1(C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)CCCN1C(=O)OC(C)(C)C 809800937 ZBVAWZJUULXRAB-ZLGUAPKESA-N 426.557 2.405 30 10 IEEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 812192290 SWTGWONWJLCQDH-WRFKIARRSA-N 427.505 2.434 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 916899950 UGYAHKGYYVYYTO-IBGZPJMESA-N 429.498 2.443 30 10 IEEE N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCCCC1 920673554 OGQHWJKEXWSRQQ-SXGWCWSVSA-N 445.541 2.149 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(S[C@H](C)C(=O)N(C)C)n[nH]1 1084328523 QQJJUGFPUILUJC-CQSZACIVSA-N 441.565 2.380 30 10 IEEE C#CC[C@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCCN1C(=O)OC(C)(C)C 1132911098 ROPSAIBSATZDKO-XMMPIXPASA-N 446.592 2.112 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1156560670 HPSDRVPPWUAMLL-MRXNPFEDSA-N 438.962 2.380 30 10 IEEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C[C@@H]12 1167104797 IQHSHBSINDWRBL-HBMCJLEFSA-N 426.494 2.021 30 10 IEEE C#CCOc1cccc(NC(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c1 1200402252 DHKQZCYMQBPKOV-UHFFFAOYSA-N 426.477 2.404 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)c1ccc(Br)cc1 1230499371 VAJDAQTWMDSTQM-MRXNPFEDSA-N 428.352 2.189 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCN(C)C1 1286365251 ALQMGSQLCLDDQR-GOSISDBHSA-N 438.757 2.497 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCSCCCO 1286369392 OGYSLLBERSTFPF-UHFFFAOYSA-N 440.573 2.421 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286391958 GCKUDLDHBVJMKO-LEWJYISDSA-N 449.665 2.471 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1286438325 XMQRKLKHUBKANS-HSZRJFAPSA-N 433.597 2.014 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1snnc1C 1286459940 RXEZMWWUKHWQME-UHFFFAOYSA-N 436.339 2.330 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286481199 SSRCQQQCRCYRBK-SFHVURJKSA-N 432.569 2.142 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCn2cc(Cl)cn2)CC1 1286483547 PETGOHOBYHCQBL-UHFFFAOYSA-N 439.951 2.205 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286549553 XXIXQEKMNZWUEQ-RLLQIKCJSA-N 441.580 2.200 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286611446 KNLQKUQURMHIJD-UHFFFAOYSA-N 425.599 2.389 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286709780 DTLHCFGWZSMWTJ-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286778335 ZYUUBBIGLYXJPG-KBXCAEBGSA-N 431.459 2.010 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(O)c2)C1 1286805898 VFOZFKOZIVNUDJ-MBSDFSHPSA-N 444.532 2.474 30 10 IEEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1290917367 BBAMDNQQUSKAIN-AWEZNQCLSA-N 437.504 2.276 30 10 IEEE CC/C=C\Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1293707420 RDXSULATRBDRTP-SEDCNLEPSA-N 432.525 2.281 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1293862630 JJVORRYPNVNJKA-QGZVFWFLSA-N 436.564 2.301 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1295067616 XFTMJSMNABVQAV-UHFFFAOYSA-N 438.532 2.417 30 10 IEEE CCO[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1296984810 XODDPRHZTXPCCN-QBNCKDSPSA-N 430.553 2.398 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccsc1 1298025174 BJBSIBNAUXSMGO-ZWKOTPCHSA-N 448.618 2.285 30 10 IEEE COc1ccc(COCCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1300232173 NXGVNHBWIOUJON-UYAOXDASSA-N 427.505 2.126 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1300291070 BBHILHOYTUWFEH-MRXNPFEDSA-N 427.530 2.012 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300506222 PQHQCSOBCRMOLF-VAMGGRTRSA-N 449.621 2.021 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1300786565 GWJVCHHDYSNFEA-RPWUZVMVSA-N 437.544 2.458 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C[C@H](C)O1 1301404695 FTWFHDRFAHLLJD-JXFKEZNVSA-N 438.488 2.314 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301484598 JCJKYMKZVGLOQV-UHFFFAOYSA-N 446.433 2.467 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301611507 DAJNKTHPCBOLKJ-HZPDHXFCSA-N 428.624 2.351 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1301703168 ACTVRBJZYRDSJD-QHCPKHFHSA-N 438.532 2.356 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1303871575 PGWFPFBENSNIHA-UHFFFAOYSA-N 441.553 2.455 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)C1 1303933275 HZHAIOLJLNWFMQ-YLJYHZDGSA-N 435.594 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC2(C#N)CCCCC2)C1 1313027799 XOESPZPIMAVAHG-INIZCTEOSA-N 442.582 2.184 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C[C@@H]1C 1315118303 NCBOQCSLYPXUEG-HNNXBMFYSA-N 434.504 2.184 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1316385417 AEGZXHSTVDDECD-GOEBONIOSA-N 435.575 2.104 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCOCCCO)CCN1C1CC1 1316537545 CYRXMEWZMQURNW-IBGZPJMESA-N 430.940 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1358879478 RSMNTNBBRPOADC-AWEZNQCLSA-N 448.936 2.164 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cnn(C)c1 1358910397 NQBPOOYHHBYZIL-UHFFFAOYSA-N 440.577 2.412 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1358999441 RDKRWGUXXWBYBD-HXUWFJFHSA-N 435.450 2.424 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN(C)Cc2ccccc2)CC1 1359034662 ZHOAJJCWBDJOER-UHFFFAOYSA-N 430.560 2.012 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOc2cccc(OC)c2)CC1 1359037518 MKTZLMYVGVPRPU-UHFFFAOYSA-N 446.555 2.497 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1359065711 ZARIGOMMIGAWEX-GGAORHGYSA-N 432.565 2.242 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359227108 SVWYAABFGRACIY-MRXNPFEDSA-N 431.497 2.321 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)n(C)c1=O 1359269019 LVUXWTVWULLYRZ-UHFFFAOYSA-N 443.515 2.155 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC1CC(F)C1 1359329576 NSBMTXPDAUFDHQ-UHFFFAOYSA-N 436.509 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335890 YAOFVIJXFPWARG-NRFANRHFSA-N 438.594 2.300 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)CCO1 1359452036 FCRVVCGJJKRRGY-HXUWFJFHSA-N 426.521 2.116 30 10 IEEE CON(C)S(=O)(=O)c1cc(NC(=O)c2cc(C#N)c(SC)nc2O)ccc1Cl 1360871249 LOZRLZBMMPXFSB-UHFFFAOYSA-N 442.906 2.468 30 10 IEEE CN(C)CCn1nccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1441885420 BUZSWKDRSZPBSG-GFMRDNFCSA-N 446.577 2.290 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)COc1cccc(Br)c1C#N 1462131841 VHFIRQFAYXMKHG-WFASDCNBSA-N 425.279 2.174 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)c2ccc(Br)cc2)c1 1468539732 OAGQFVKASZFUPB-MRXNPFEDSA-N 441.278 2.349 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@]3(C)C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1468578628 JFYFMMYNRFLYJN-QVKFZJNVSA-N 449.577 2.434 30 10 IEEE C#CCN(C(=O)Cc1c(C)nc2cc(O)nn2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1471882370 LOZMHXIDMMIICY-UHFFFAOYSA-N 441.532 2.456 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)C1 1472173708 POCRVPIYDNDEDA-INIZCTEOSA-N 433.306 2.104 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1497225803 CKLXJRJTNABRRD-MJGOQNOKSA-N 434.552 2.391 30 10 IEEE CCOCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CCC1 1503168684 YZGUERWKYCZQFF-OTWHNJEPSA-N 433.553 2.328 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1)NC(=O)OC(C)(C)C 1505279038 CCGYFZYKTJKIFJ-OAHLLOKOSA-N 439.520 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC[C@@H](C(F)F)N1CCOCC1 1507666556 BPRNIJGBZNMSKI-RBUKOAKNSA-N 435.519 2.339 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCOC1 1507700731 UVQRHRLJBHWWDP-QHCPKHFHSA-N 443.523 2.127 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1507754178 MAGDIZWNVRMLEY-HXUWFJFHSA-N 438.601 2.226 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1507755199 CFVWTJNMUYRZCZ-FQEVSTJZSA-N 437.573 2.041 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1507771810 CZJQEWSEFABNKF-PGRDOPGGSA-N 443.573 2.143 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1507800485 VXRKVUWVFOLVKV-MKXGPGLRSA-N 438.594 2.167 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1507952649 XBYOVBMXQJKRLJ-UHFFFAOYSA-N 429.569 2.095 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 1507954603 OKPMDIGPWPACPS-IBGZPJMESA-N 449.577 2.222 30 10 IEEE CCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)cs1 1513755861 XFFDFRLPBBTEHW-UHFFFAOYSA-N 436.545 2.345 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1517492888 PGFCGTCDUIODPH-GCJKJVERSA-N 426.496 2.216 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1517636847 JRVHKYUSUOQPBV-LJQANCHMSA-N 438.532 2.368 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1523037643 YWKYUCBGHMPLPC-WFASDCNBSA-N 449.392 2.325 30 10 IEEE Cc1ccc(CN2CCO[C@H](CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)cc1 1532337314 ITCVSDQLRQLIRG-JTHBVZDNSA-N 432.524 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1538994881 HHLBHMKAKSDKGP-LJQANCHMSA-N 430.560 2.383 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1539030726 TUIBTOOMLJJKPT-WOJBJXKFSA-N 435.576 2.213 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cn2ccccc2n1 1539238287 VBPDVNYHZYVJLS-XMMPIXPASA-N 432.528 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NC(C)C 1539251102 XQIJIVMNEVSPAS-UHFFFAOYSA-N 432.297 2.444 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1OC 1539567315 VGNNQCYSKCWGNK-PNLZDCPESA-N 443.573 2.313 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539570498 WYCBXCKCRAQXDG-XMSQKQJNSA-N 443.573 2.420 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539602955 FEKVCSNYFPPUQU-IYBDPMFKSA-N 447.337 2.275 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539662343 SBQBUZBRLLSOEJ-PKOBYXMFSA-N 447.609 2.285 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539742354 BSDANCLIKGVAJF-UHFFFAOYSA-N 436.520 2.058 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCS(=O)(=O)CC2)CC1 1539873775 DDVMRPWVFKAPIL-INIZCTEOSA-N 426.583 2.229 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1539903552 ZWRDYQBDKOPFJL-BBWFWOEESA-N 426.631 2.410 30 10 IEEE Cc1cnn([C@H]2CCCN(c3nnc(C(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)c1 1542819686 RFFYGBMCHVXMKM-UFVMTTLYSA-N 438.536 2.274 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCN3CC=CCC3)CC2)c1C#N 1543001029 AESCRTQCLJCSGD-UHFFFAOYSA-N 437.596 2.078 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCNC(=O)c3ccc(O)cc3)C2)C1 1545667495 ZLPDPCCRSVRCKL-BNGSBABLSA-N 442.516 2.025 30 10 IEEE CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1547444836 VBGPECNUMRVKHS-HXUWFJFHSA-N 437.548 2.137 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)c1 1547762275 WKBVQVXRYYCJMJ-KSFYIVLOSA-N 444.511 2.242 30 10 IEEE CCO[C@H](CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1547843067 FVQCARBYXJWLQF-NVXWUHKLSA-N 430.509 2.186 30 10 IEEE CCOCc1nnc(N(C)Cc2cc(C)ccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1548082690 JHHXMCKSARBFHJ-MRCUWXFGSA-N 442.495 2.425 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1555503035 MDPAVYHQKGWMPX-KRWDZBQOSA-N 440.548 2.221 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@H](CO)O1 1555546240 PQIUEEBASZECHK-PWRODBHTSA-N 441.532 2.194 30 10 IEEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C(F)(F)F 1555947365 GOEWQAQVTVOGBM-ZQXLEQPTSA-N 438.454 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCc2c(O)ncnc2C1 1556191880 UYXQUYAQDHWYOJ-IBGZPJMESA-N 435.484 2.473 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1556564820 ACCZYNINEFXTSV-CYBMUJFWSA-N 434.294 2.111 30 10 IEEE C=CCn1c(S[C@H](CC)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1559334155 WGBKJXABGBYCMA-MRXNPFEDSA-N 438.575 2.015 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCO[C@H](c4ccc(C#N)cc4)C3)CC2)C1 1560182911 QPBIFCSMHYUUMS-XXBNENTESA-N 438.572 2.429 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CCO2)c1 1567193931 FYGNWEYQMYOHED-YADHBBJMSA-N 435.480 2.496 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCOC[C@H]1c1ccnn1C 1586311430 RHYCREAZJLGCSI-INIZCTEOSA-N 449.305 2.432 30 10 IEEE C#CCCCn1c(N(C)Cc2ccc(C(=O)NC)cc2)nnc1[C@]1(OCC)CCOC1 1587893866 JOGUGAVKCBREFQ-QHCPKHFHSA-N 425.533 2.340 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1587904205 BEVASMKGTDEADR-OAHLLOKOSA-N 427.509 2.156 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(-n2cncn2)nc1 1588162047 HGXRJKXWNJQODJ-UHFFFAOYSA-N 438.495 2.262 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1588993522 KKYXBCYLKFEEGB-HNAYVOBHSA-N 441.557 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1589577535 CDZNYYZDGFYHJZ-CROMWVBPSA-N 447.580 2.015 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594498119 QNXRCSOEZDODJD-SJORKVTESA-N 430.553 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C2CCCC2)CC1 1595784513 HSSWPTHRGNRXKI-UHFFFAOYSA-N 444.605 2.396 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1598358652 ZJNKYNDKZRDDNN-UHFFFAOYSA-N 429.546 2.444 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1610312702 BNSDPBOGGKCXPA-NRFANRHFSA-N 448.568 2.223 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3ncc(C#N)cc3Br)CC2)cc1 1611752721 AOMHHSVEQRZFJU-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)[C@@H]1C 1613035048 NGDLOTWQWLCXDU-HZPDHXFCSA-N 449.602 2.208 30 10 IEEE CCCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1614591349 CYVUPKAPOHCEOG-VZCXRCSSSA-N 440.504 2.335 30 10 IEEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1617587892 SNPPFMFHELISSP-UHFFFAOYSA-N 449.515 2.382 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1620019362 MVUKCDNWICVBAW-HZVKZAKPSA-N 446.596 2.382 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCOCC(F)F)cc1 1620349089 FPQCUXBDMBWJHU-SJORKVTESA-N 430.459 2.346 30 10 IEEE N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 1622926272 CPYICUVEXQCKFV-UHFFFAOYSA-N 443.525 2.393 30 10 IEEE CC(C)OC(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1624667345 JSCDCHPKBDQLFS-IBGZPJMESA-N 437.562 2.378 30 10 IEEE C=C[C@@](C)(CCOC)C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1630603995 UPKICVPUQKCJLD-DEOSSOPVSA-N 428.577 2.297 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)Cc4cccc(C#N)c4)C3)[C@@H]2C1 1632912214 KFROLXRRHJVFCB-QRVBRYPASA-N 440.500 2.142 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2c[nH]cc(I)c2=O)cc1 1634953755 SHJXPIOOCUIVHR-OAHLLOKOSA-N 434.237 2.459 30 10 IEEE C#CCN(C)CCCNC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1636805469 GLCBMSLHLUALAQ-IBGZPJMESA-N 428.533 2.150 30 10 IEEE C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1639274153 GSOMQZDHNLHTAZ-AWEZNQCLSA-N 448.495 2.131 30 10 IEEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1639900813 OEXMJUNQKKTRFK-QUGAMOGWSA-N 435.347 2.412 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1ccc(C#N)c(OC)c1)N2C(=O)OC(C)(C)C 1640205261 BGNRGDVWAJGZRS-PBWTXFEYSA-N 443.500 2.370 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)c1 1640272533 WYBSOBJNOFHZGG-UHFFFAOYSA-N 446.550 2.271 30 10 IEEE CC1CCC(N2C[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)CC1 1641855838 TZGAIDRJBJCSAL-CGZBRXJRSA-N 427.501 2.318 30 10 IEEE O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CC(F)(F)C(F)(F)C1 1642485232 WRYNSTOJEYHLBT-UHFFFAOYSA-N 438.321 2.366 30 10 IEEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1652166977 MKFJFUNJSNXCKO-UHFFFAOYSA-N 430.526 2.414 30 10 IEEE CCOC(=O)c1nnn(C2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)c1C(F)F 1654471881 FKLRAACBGOSMJA-ZDUSSCGKSA-N 426.468 2.037 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OCC 1669267753 QQGHJTODPRGWNJ-SFHVURJKSA-N 436.534 2.267 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1675408811 HIDOLSYVFWFADV-UHFFFAOYSA-N 446.511 2.032 30 10 IEEE C#CCN1CCC(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 1678402046 WAFZWCQJYXAPCZ-HXUWFJFHSA-N 438.494 2.476 30 10 IEEE C#CCC1(O)CCN(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1679367094 OFHBTFVHMXEMEO-UHFFFAOYSA-N 439.603 2.025 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCC(n3nncc3I)CC2)cc1 1682680213 OVJCVKKFGZZODG-UHFFFAOYSA-N 435.269 2.411 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CO1 1683532670 CQMOVZAIZOTRSB-LJQANCHMSA-N 429.521 2.373 30 10 IEEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1686089926 BIEMWGMONYXKOB-GOSISDBHSA-N 448.593 2.132 30 10 IEEE C#CCCCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1689906864 UHVDSWMIXPDZKV-JOCHJYFZSA-N 427.553 2.242 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1689977660 AEFIJSIYCSUIKA-GOSISDBHSA-N 427.530 2.109 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OC)c1OC 1690035043 ZTGCVKTVMUYJKA-DEOSSOPVSA-N 438.528 2.459 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1690075747 SQIHVPPULNORSO-SFHVURJKSA-N 444.580 2.378 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@@H]1CCOC1 1690077400 NXWICIKXQBKCBJ-HXUWFJFHSA-N 439.564 2.107 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@H]1OC 1690090010 SOMJMLXMWNWCRY-YZGWKJHDSA-N 441.507 2.060 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1690124135 GEPPTRLQQFQACV-OAQYLSRUSA-N 440.567 2.198 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)CC1 1690236704 PWFZOVCWPBPVPX-WMZOPIPTSA-N 448.568 2.066 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690365622 BGPZKAPKMXGCPU-ZDUSSCGKSA-N 448.325 2.180 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1690465146 STUQEVPJWRWGPT-SFTDATJTSA-N 438.576 2.487 30 10 IEEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1690738563 QVLPBWIRRLLRCR-GOSISDBHSA-N 438.557 2.364 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccc2[nH]ccc2c1 1690993190 GSFSXKCEAAEJDR-GJZGRUSLSA-N 429.550 2.208 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1691000974 ABRAJLCPGLTRHC-INIZCTEOSA-N 435.532 2.483 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCO[C@@H]1C 1705627196 YIQHITJTFKZGRN-UZUQRXQVSA-N 437.500 2.226 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(n2)CCCC3)CC1 1705632532 SSFWSHDKHVJJCI-UHFFFAOYSA-N 449.603 2.274 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC(C)C 1705670493 WMXSJMCDIFIDEY-HXUWFJFHSA-N 446.533 2.173 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705683168 AVKNZVQMQRYRLB-INIZCTEOSA-N 433.354 2.407 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705693060 BBWOMSMOPMMQKX-TVFCKZIOSA-N 430.553 2.246 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCn2cc(CO)nn2)CC1 1705771955 GULBANXAGHXTFX-UHFFFAOYSA-N 439.520 2.196 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705825545 WMGUMMIVHXKHHH-UHFFFAOYSA-N 431.459 2.000 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1706231909 MDGVIXRUICPPQQ-RCCFBDPRSA-N 432.569 2.088 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722358299 FXMPXXRINCDRQP-GOSISDBHSA-N 449.621 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC1(C(N)=O)CCOCC1 1722392107 GXRQXUYVKFSNMI-UHFFFAOYSA-N 442.523 2.238 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1722411783 PRHQOGAGPDVHKE-RXVVDRJESA-N 441.601 2.087 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccc(C(N)=O)cc2)n1 1722428444 WJZNUMOFJUNNHZ-UHFFFAOYSA-N 449.559 2.206 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCC)CC1 1722434384 QOCQXLAIXLNAMZ-HSZRJFAPSA-N 427.549 2.269 30 10 IEEE C=CCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722690271 CXVOSHOAABUHCV-NRFANRHFSA-N 443.508 2.135 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1722706333 RFEYNRTZKRPZNQ-HXUWFJFHSA-N 436.516 2.228 30 10 IEEE C=CCOc1ccccc1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CCS(=O)(=O)C1 1722707844 AIXIFSFLFLUFRR-INIZCTEOSA-N 428.518 2.270 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1722743386 XZBTYAZKWVQGPS-HXUWFJFHSA-N 445.637 2.217 30 10 IEEE CCC(CC)[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)N(C)C 1727168602 OYMLUXMDQPKBBM-QTEQDKRBSA-N 448.612 2.414 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1729453206 LTRTXVOFNUAQNB-UHFFFAOYSA-N 442.474 2.472 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nccs2)cc1OC 1730095323 HBMGRNVIKASTKI-HNNXBMFYSA-N 426.502 2.390 30 10 IEEE COCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CCOCC1 1730514874 AIPRAOJRFXCFQV-IBGZPJMESA-N 438.532 2.180 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CCO1 1731186580 DUVQGJHVCUSWDH-QGZVFWFLSA-N 440.891 2.274 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1740566741 JRWHQRQAJRAVDE-AWEZNQCLSA-N 436.969 2.303 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740623418 SWLHIIKNINHZRL-ZJBJCVSYSA-N 445.589 2.072 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(NC(C)=O)nc1 1740643221 DBEYSVASVUSMRC-UHFFFAOYSA-N 444.495 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740647470 UPWXJDQGSWXJOP-TZYAJKAJSA-N 426.561 2.334 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC=CCO1 1740678302 ITMMTGSQQHLRET-LJQANCHMSA-N 443.935 2.293 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(OC)OC)c2)CC1 1740693624 FPPLDGVIWNGJAQ-UHFFFAOYSA-N 434.544 2.379 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1740861994 HFSNMXLESHDQDL-HSZRJFAPSA-N 435.532 2.250 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740938152 ZMALCEJEZOXPHF-ZWKOTPCHSA-N 434.562 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740990875 IKCMARQDRBQDLJ-MRXNPFEDSA-N 435.525 2.338 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(C(F)(F)F)n1 1742835251 ICJMDEWGTVGZNS-ZDUSSCGKSA-N 443.437 2.425 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)C(C)C 1743743083 AOLSHVACRLBCOJ-KRWDZBQOSA-N 427.601 2.372 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCCO 1747707307 PRSLIJCGLIHNFZ-IBGZPJMESA-N 431.562 2.241 30 10 IEEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC(F)F 1748033814 TXPLZLCJBZQEKJ-UHFFFAOYSA-N 429.431 2.448 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1748670600 ATAXSTYLSDAECL-IAGOWNOFSA-N 432.546 2.116 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1748730928 RXOVYGOWUZSNQH-SFHVURJKSA-N 437.610 2.010 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1748829732 IMNMEAXGSUXPOK-DEOSSOPVSA-N 445.527 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1748875171 LTOBTNNJYXKBGV-QYZOEREBSA-N 445.564 2.330 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1N(C)C 1748927037 ZAWVQQOYCIAICO-UHFFFAOYSA-N 445.575 2.421 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(F)c2)CC1 1748962511 KBPOVFGXBRAGIP-QGZVFWFLSA-N 446.548 2.137 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOC(C)C)CC1 1748990461 XGKLYMCLUZVCHU-OAQYLSRUSA-N 425.533 2.361 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCCOC)CC1 1749033437 FYDZIHLFOFULRR-UHFFFAOYSA-N 447.561 2.004 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1749401994 HBUDUUIXEKNXHV-JCYILVPMSA-N 429.562 2.152 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1749573499 DUMGPESADLXPJN-LJQANCHMSA-N 440.523 2.432 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1749687752 ZJQGHRQNTCEUNO-MISYRCLQSA-N 442.516 2.103 30 10 IEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1752387537 IBVNXPMAWNLUJH-ZWKOTPCHSA-N 442.589 2.391 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN1CCN(c2ccncc2)CC1 1760120588 LOTXLJGWDRSHPJ-OAQYLSRUSA-N 444.587 2.329 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1760187141 UECZJEYIXMYSDG-LJQANCHMSA-N 435.638 2.225 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760188765 MLYWVIDNPBRUDK-RBUKOAKNSA-N 444.605 2.006 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(N)=O)CCOCC1 1760214910 HYRTUJATFZAVPT-UHFFFAOYSA-N 443.910 2.483 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1cnc2c(Cl)cnn2c1 1760250302 YJHIZKPYXZKAMY-QGZVFWFLSA-N 443.939 2.197 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(Cl)c2)CC1 1760258604 ZVEYLNVUWXCTBQ-UHFFFAOYSA-N 425.924 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)(F)F)CC1 1760269185 BBQQGIYEBLCTOE-MRXNPFEDSA-N 443.470 2.064 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1760337651 UVAWWPXWLOLPDK-INIZCTEOSA-N 425.580 2.123 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC)C(=O)C1 1760353621 YYARBTZNOMNHPK-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1760457671 CBURENDSNQGETC-UHFFFAOYSA-N 447.381 2.494 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1760485307 YIFFFAPCBIJOPU-QGZVFWFLSA-N 437.541 2.005 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(N(C)C)CCSC2)C1 1760549450 DZHPCYKDZDLFPX-KNQAVFIVSA-N 445.637 2.358 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1761466538 LTFVRYRYWPRKQO-CYBMUJFWSA-N 432.481 2.177 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNc1ccccn1 1763112326 JQBFLBXHKWILMP-QGZVFWFLSA-N 432.536 2.114 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1763271634 WUUTVGXWFZDSLX-MWTRTKDXSA-N 441.532 2.192 30 10 IEEE CC[S@](=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1766741729 KYZADNALEUCPSN-NRRJATNASA-N 438.351 2.205 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CC(=O)N1CCOCC1 1767090608 GIRWVLWRBBVLRL-UHFFFAOYSA-N 436.541 2.297 30 10 IEEE COCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cc1 1771234193 KOZCPUHLRYOWHE-NRFANRHFSA-N 425.468 2.194 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1 1771239200 XTTGTJGPOKIUOY-QFIPXVFZSA-N 437.479 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1 1772516275 ZSGUENVNRAUXBW-NRFANRHFSA-N 446.555 2.160 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)c2ccccc2C(=O)N2CCN(C(C)=O)CC2)nc1C 1852094161 KJHFKZQBDKIWGP-UHFFFAOYSA-N 447.495 2.045 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)Cc3ccc4oc(-c5ccccn5)nc4c3)CC2)n1 1852726637 XIODQMPPRNAFDR-UHFFFAOYSA-N 425.452 2.443 30 10 IEEE COc1cccc2sc(N3CC(C(=O)N4CCC[C@@H](N(C)CCC#N)C4=O)C3)nc12 1854305766 ISNGPCLPGJKGOQ-OAHLLOKOSA-N 427.530 2.104 30 10 IEEE Cc1c(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)nnn1-c1ccc(Cl)cc1 1855888938 VOUCQSVXYLITPO-MRXNPFEDSA-N 426.908 2.453 30 10 IEEE N#CCCN1CCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C(=O)C12CCCC2 1856626114 UHHUPBQTZHJQOT-UHFFFAOYSA-N 435.521 2.277 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3nc(C)sc3c2)C1)[C@@H]1CCN(C)C1=O 1857277063 OBNXSNPZMKNTDN-CRAIPNDOSA-N 426.542 2.312 30 10 IEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873561661 UOXYQVMWGGIOHH-CALCHBBNSA-N 441.532 2.210 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1O 1874338763 XKTSSNIEOZXWFK-BRUSPLQXSA-N 444.561 2.209 30 10 IEEE C#CCS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883391189 QLZQAGRTRAFZPZ-FQEVSTJZSA-N 427.478 2.416 30 10 IEEE CCCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C)c(C#N)c4)CC3)nn2)CC1 1890299475 BDJWSPSZEYJABJ-UHFFFAOYSA-N 433.560 2.151 30 10 IEEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1 1891483069 LHXYODJUPOMBGX-UHFFFAOYSA-N 432.488 2.282 30 10 IEEE C=CCC1(NC(=O)CC[C@H](O)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993341642 JDOMIEWMQRTYET-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE C#CCN1CC[C@@H](NC(=O)c2ccc(I)c(Br)c2)C1 2139348028 QUFDHWICRIEZOV-LLVKDONJSA-N 433.087 2.491 30 10 IEEE C[C@H](CCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248401257 GZCSSHXVPLYNIM-GFCCVEGCSA-N 440.375 2.281 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1 2255817752 ANCOPPZVRRRJHL-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)C[C@H]2[C@H]1CO 2255823362 UFHOPXWWYWKKEO-ARFHVFGLSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2255852190 AMHCNELWIQCPGP-CVEARBPZSA-N 442.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2258961766 YAPTXPQHHVWGNF-WCJKSRRJSA-N 434.342 2.200 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267009785 QJTAADAERKCODD-CVEARBPZSA-N 448.373 2.285 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)OC1(C)C 2267092558 WZOJZFPXSFWYPE-SJORKVTESA-N 446.307 2.204 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2267264023 MJSYMTBETMIDGX-WNSKOXEYSA-N 445.369 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267498503 VDDVXZYZVAOAAZ-KCXAZCMYSA-N 447.316 2.258 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)C2)nn1 2267500599 KZPBZQRRUYQLPT-UHFFFAOYSA-N 447.345 2.313 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548668 HLBQXSNTWLLTJU-MRXNPFEDSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267579485 UBRIMRVYCIXSAW-QAPCUYQASA-N 446.353 2.255 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2267882692 WEEOBWOCJNZVCL-IBGZPJMESA-N 436.365 2.418 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268645098 STTOSIIBTXANIK-RVKKMQEKSA-N 448.369 2.437 30 10 IEEE C=CCOc1ccc(-c2nc3s/c(=C4\C(=O)N(C(C)=O)c5ccccc54)c(=O)n3n2)cc1 39771681 TYVFCPHPBALSJV-HNENSFHCSA-N 444.472 2.194 30 10 IEEE O=C(C[C@@H]1S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39843402 XRNAWZNRINQYBC-RPJLVFAOSA-N 442.413 2.453 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)cc(OC)c1OC 59830869 TTYXFJPRITXLMI-UFWORHAWSA-N 447.477 2.304 30 10 IEEE Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)ccc2=O)cc1C 96324175 HHYIUWRIOWVHNZ-UHFFFAOYSA-N 449.536 2.232 30 10 IEEE C#CCN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1CCS(=O)(=O)C1 111046990 MGTXUPQYZXWAJF-ZDUSSCGKSA-N 425.482 2.149 30 10 IEEE COc1cnccc1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 410423488 CALZMOQYTILQTF-UHFFFAOYSA-N 426.420 2.492 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@](O)(C(F)(F)F)C1)CCCC2 426425821 SOQSHUOCDXMKAE-VBKZILBWSA-N 440.466 2.355 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(Cc4ccc(OC)cc4)C(=O)C3)cc2C1=O 466595894 HNKLOUHMUIYOIK-UHFFFAOYSA-N 447.491 2.352 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1-c1ccccc1C#N 477362972 YLMAVYKHUABZDQ-UHFFFAOYSA-N 444.491 2.023 30 10 IEEE Cc1ccccc1C(=O)C=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ncccn1 478253213 PEBTVUFTEWNKHC-UHFFFAOYSA-N 444.541 2.482 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CCN1Cc1ccccc1 479064151 GQVVGIIAGHVORW-VXKWHMMOSA-N 435.503 2.346 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 508460454 CSDSKDXBWOCUNG-LJQANCHMSA-N 440.504 2.468 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 515398095 KDYPJVOFKZSKLX-UHFFFAOYSA-N 429.473 2.389 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)CC1 516250530 BASAVNQHILGDBX-UHFFFAOYSA-N 427.574 2.028 30 10 IEEE Cc1ccc(C)c([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)CO2)c1 519572714 NZHRHOIJLDPPGM-LAUBAEHRSA-N 427.526 2.442 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 533782289 LBFHWEQUROOQIB-WCRBZPEASA-N 426.561 2.495 30 10 IEEE C=C(C)CN1CCC(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 535868322 YEOONZIHFVTNLR-UHFFFAOYSA-N 434.606 2.452 30 10 IEEE CCOC(=O)[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1c(C)nn(-c2ccc(F)cc2)c1C 537310076 CQSWRUBCPABPEG-LIRRHRJNSA-N 439.451 2.073 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 537314905 HMVDHIXCNQCHHN-UHFFFAOYSA-N 433.486 2.036 30 10 IEEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)C1=O 552722522 AGDFIBOAVRTHSP-UKRRQHHQSA-N 445.321 2.402 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 575756330 HEWRCAWDYDKDSM-MAUKXSAKSA-N 437.541 2.490 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1cccc(F)c1)C1CC1 579054233 JPQPKIWHRHAWQF-IBGZPJMESA-N 449.552 2.148 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 583840809 PIPZPYKQELIOTR-YOEHRIQHSA-N 435.525 2.060 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)NCc3ccc(C#N)cc3F)CC2=O)cc1OC 609229717 LTZXXDWVUTVLIG-GOSISDBHSA-N 425.460 2.422 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)NCc3ccc(C#N)cc3F)CC2=O)cc1OC 609229718 LTZXXDWVUTVLIG-SFHVURJKSA-N 425.460 2.422 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc(N4CCOCC4)c3)C2=O)cc1 609604829 JMNKTVPVMHQKEN-HXUWFJFHSA-N 433.468 2.239 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)c1 609763122 HGWQJJMPTUNSOK-GOSISDBHSA-N 442.541 2.204 30 10 IEEE Cn1ccnc1C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 610304398 YNKKKRXXZJRZCW-HXUWFJFHSA-N 437.525 2.326 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CCN1C1CC1 732652157 PGOUIOOEEKIBSH-MSOLQXFVSA-N 431.334 2.252 30 10 IEEE C[C@H](COc1cccc(C#N)c1)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 733862435 XWLZGHSGEBMQOJ-IVZQSRNASA-N 433.464 2.344 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCN1C1CC1 734694309 URWKDXVGYHFKIP-PLTNMMHCSA-N 436.537 2.132 30 10 IEEE CC(C)(C)OC(=O)c1cccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c1 777940244 JRTNPQJXFRUHBG-GOSISDBHSA-N 437.521 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCC(OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 778074916 SLKPATCGEGGRJA-UHFFFAOYSA-N 437.518 2.058 30 10 IEEE N#Cc1cc(F)c([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)C(F)(F)F)c(F)c1 783808039 IJXRZWIPTCOOHZ-HOTUBEGUSA-N 433.280 2.354 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 787067829 ZEOSZHLCDVOPRA-XJKSGUPXSA-N 442.378 2.251 30 10 IEEE C#C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccc(F)cc1 812748376 SBHSUIOGVGCYOB-IAGOWNOFSA-N 448.472 2.239 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c1 813984964 IFFYDCKOSPDPRT-UHFFFAOYSA-N 436.478 2.381 30 10 IEEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)c1 1124530274 GTKKTPFZVLUOSQ-UHFFFAOYSA-N 447.538 2.170 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)cc1 1125136546 IEKBKGUTGFKXKX-PESPDQJRSA-N 442.497 2.228 30 10 IEEE N#CCOc1cccc(OC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 1129661961 OXCAGQBEZNBVPL-UHFFFAOYSA-N 425.466 2.355 30 10 IEEE COC[C@@](C)(C#N)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1137349217 KJZHDNNANROUGE-UYAOXDASSA-N 435.571 2.285 30 10 IEEE C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@H](C)O1 1185029556 HJWVFIFPMYVUSL-STQMWFEESA-N 430.368 2.487 30 10 IEEE C#CC[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1202309955 MIXZEAJROOQMSF-KRWDZBQOSA-N 434.562 2.041 30 10 IEEE C[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1265982506 PFPZTCZXSNEJGN-UZUQRXQVSA-N 428.533 2.485 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1286327217 HNLXDLCPHAPMCT-UHFFFAOYSA-N 444.530 2.161 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1286392145 GDLUDHLESZZQFR-WMZOPIPTSA-N 448.589 2.388 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1286394858 XHIYLVTWVZOMQB-SFHVURJKSA-N 447.630 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nccnc1C 1286420221 AALJJUOZYUJYIG-UHFFFAOYSA-N 448.552 2.153 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCO1 1286470524 YMOPEXAZDGJPBA-OTWHNJEPSA-N 445.564 2.480 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCC=C)CC1 1286488591 OWJZEQFRAPVHJD-OAQYLSRUSA-N 448.571 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)CC1 1286489285 NAAMTLDAFQEQQN-NRFANRHFSA-N 430.512 2.475 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](CC)C1 1286606397 OKIQNJFWHPWIKG-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286712548 CAKVCWCTDODOHE-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1286738297 SAKPSHGMHWRCTM-CABCVRRESA-N 439.582 2.248 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCOC1 1286781822 BYAMUYMUPPOQJF-CQSZACIVSA-N 434.338 2.483 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286790301 MOSAQZRUONYYLB-XLNZFTOWSA-N 439.560 2.138 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1286821636 RBWMENCMMRDTGF-ICSRJNTNSA-N 448.589 2.018 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1286864043 JFCNVBWNGWNCML-GOSISDBHSA-N 430.459 2.300 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1286962011 YZOBBROAKHTUMY-ZACQAIPSSA-N 446.577 2.441 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1288037423 GVHBUKKSPKRCKR-UHFFFAOYSA-N 425.537 2.229 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CCO1 1293539828 AVWLMKYEAAKOIA-SFHVURJKSA-N 429.546 2.399 30 10 IEEE C=C[C@H](C)ONC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1300210628 JHIUMHHUSBBPOU-GDZNZVCISA-N 445.969 2.357 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300368207 QQRPNHPUYVOBPI-UHFFFAOYSA-N 443.559 2.308 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 1300466574 YCJKZFOAAGABQA-OAHLLOKOSA-N 432.550 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N(C)C1CC1 1300527109 BMHCXIXNJPABPL-SFHVURJKSA-N 443.555 2.230 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCC1 1300618926 OWZOMDBOIJOGSD-GOSISDBHSA-N 443.621 2.430 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300997100 POOLYXKPRSPEPQ-HXUWFJFHSA-N 444.624 2.346 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C)c1ccccc1 1301003151 DZWUOYVGWMXZMA-WSTZPKSXSA-N 444.605 2.275 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301152370 YMTOJCMIRBHRGS-DLBZAZTESA-N 430.553 2.151 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301188786 NKHSDQLMYXLKOU-QZTJIDSGSA-N 435.594 2.128 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1301258154 MIIMLDSTXBSRDQ-INIZCTEOSA-N 431.497 2.321 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1301508481 MWBRCEYOXHMUHV-UHFFFAOYSA-N 426.540 2.384 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)C1 1302433672 DCHVGVKHSATPJS-FQEVSTJZSA-N 436.541 2.468 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC(F)F 1302954842 SIEZOCBFQARZDM-OAHLLOKOSA-N 434.495 2.483 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1303628509 XEIHKGZTBCKNOG-WFASDCNBSA-N 447.446 2.273 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 1306027807 NVUWBFCHYZPDIH-QGZVFWFLSA-N 447.557 2.118 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1sccc1CC#N 1352398418 OJSPGNOXVWLMJL-UHFFFAOYSA-N 434.543 2.011 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCN2CCN(CC)CC2)c1 1358902119 FPRYDGOPZHYQOQ-UHFFFAOYSA-N 449.603 2.239 30 10 IEEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1358924924 NQNWHAOUWJJQAK-UHFFFAOYSA-N 432.546 2.391 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358965303 RVXZOVSQUZCGNY-SFHVURJKSA-N 442.566 2.311 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1358980969 QTGKPYNJMYPFKJ-OAQYLSRUSA-N 443.599 2.449 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CC 1359025590 TVQQGCUJSCMQKU-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2C[C@@H]2C)CC1 1359047658 OMZNFPWQJODBAW-HKUYNNGSSA-N 437.544 2.488 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CCOC2)C1 1359294076 JIAOFOSSORSBAL-OAQYLSRUSA-N 433.459 2.466 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1359299592 IZQVGRJWFNKBMI-AZUAARDMSA-N 425.533 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335877 XLUNPPHWMDIMRC-QKLQHJQFSA-N 426.583 2.012 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1360287328 JAOCPXPJSZWSMS-IBGZPJMESA-N 437.548 2.082 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 1440715050 RVDIKGSWKOKATF-MDZDMXLPSA-N 431.470 2.274 30 10 IEEE COc1cc(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)ccc1C#N 1440900296 OGIWNJZTXSMICV-IBGZPJMESA-N 425.485 2.387 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)c1 1441769930 ZFSIFTIUDTVTSQ-SQJMNOBHSA-N 449.507 2.227 30 10 IEEE CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CO1 1461538502 ACUFYIZIEHAFGU-QGZVFWFLSA-N 427.526 2.321 30 10 IEEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1463866549 SNJKEJHCJCAPHD-OPAMFIHVSA-N 443.525 2.216 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C(=O)OC 1464252470 AVZBCRAJSMZLDP-AWEZNQCLSA-N 445.335 2.144 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C(=O)OCC 1471581093 NNZOWLODNSNXMW-INIZCTEOSA-N 431.518 2.174 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCOC4(CC(C(=O)OC)C4)C3)n[nH]2)c1C 1471805723 PYVCUEPWOBNMKH-JXORXQGFSA-N 427.505 2.307 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1478285341 WRMSRSMBTBREPG-SFHVURJKSA-N 437.562 2.248 30 10 IEEE C=CCCCCCCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1478774069 SSJQKYOJUGGKOG-KDURUIRLSA-N 430.615 2.194 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1501222921 BXILENIOOMANQR-BTYIYWSLSA-N 449.531 2.318 30 10 IEEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1504467636 BOSGWYQYLZDCMH-GBESFXJTSA-N 429.546 2.255 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C1 1505316357 WNGNMBKQQKMTFA-XIKOKIGWSA-N 426.349 2.276 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccn(CC)c1=O 1507978733 RPCVOBUSKUGYFD-UHFFFAOYSA-N 441.561 2.090 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1508005097 TWHIJLOFOUTKGL-LJQANCHMSA-N 434.500 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC[C@@H]1C 1508074071 NXSMVSKPTTVUBA-INIZCTEOSA-N 429.521 2.268 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1509756028 IDRRYZQGSJYDHP-QUCCMNQESA-N 438.532 2.259 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1513527416 FAZKKLMUCDAESZ-QHCPKHFHSA-N 441.532 2.276 30 10 IEEE COc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1518243094 SNAKBDNPJBQENZ-CQSZACIVSA-N 444.517 2.046 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CCn1cc(Br)cn1 1519165902 CQMXBGJZHWDUQK-UHFFFAOYSA-N 445.325 2.366 30 10 IEEE N#CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)CC1 1521142971 BTOHEVXSDJIBBT-UHFFFAOYSA-N 433.419 2.365 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2cn3cc(F)ccc3n2)cc1 1527273437 BTJYTZMRXKVKRV-CLCOLTQESA-N 429.477 2.467 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)C1=O 1530002011 XNNUAMFFLBQNMS-AWEZNQCLSA-N 426.326 2.003 30 10 IEEE C#CCN(C(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 1537469272 NCBZNCJGKSJAPU-AWEZNQCLSA-N 435.908 2.416 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCCCO3)cc1 1538163215 IAIGAPLFIDFGQG-UHFFFAOYSA-N 429.498 2.012 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1539045334 SOTBFOACXVNBFJ-UHFFFAOYSA-N 436.560 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1539295613 DFHQQNLHAYAGCI-MRXNPFEDSA-N 449.964 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCSC1 1539306313 GGGFHEGIGUTUJV-QFIPXVFZSA-N 426.542 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F 1539324253 RZAQXSJPENMCBH-KRWDZBQOSA-N 432.496 2.164 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCN(CC)CC1 1539350236 FJVAHCHJOPYTNW-UHFFFAOYSA-N 425.537 2.340 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC(F)(F)C1 1539406268 XLKHXVCSOKATFG-INIZCTEOSA-N 442.474 2.442 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1539772116 DUZKLMLFTPLREV-UHFFFAOYSA-N 438.020 2.164 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccccc2F)C1 1540889012 CEQMLQRDDDLASF-KRWDZBQOSA-N 439.495 2.029 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CN(C3CC3)C2=O)CCOC1 1541714535 WRDWNWMJDLRBBX-NPFVIJTESA-N 430.553 2.068 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@@H]1F 1541866559 LNDDFPFLVYWFPM-HLIPFELVSA-N 428.512 2.244 30 10 IEEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 1561219898 BRSIIJOWNPYENS-MRXNPFEDSA-N 433.452 2.284 30 10 IEEE COc1cc(CNC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)ccc1C#N 1564714322 RTKUVNBCCCIURF-UHFFFAOYSA-N 431.537 2.355 30 10 IEEE COC1([C@H](C)NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CCOCC1 1564950059 XWQDBTLBEBRWFC-KRWDZBQOSA-N 440.548 2.451 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1568155003 XHCMAQTVLAAMCL-JPYJTQIMSA-N 432.517 2.426 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2SCC#N)ccc1OC 1568464675 BEYYDUZVEMQIIX-UHFFFAOYSA-N 435.527 2.488 30 10 IEEE Cc1cc2[nH]nc(NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)c2c(=O)n1C 1570573795 MSFKRLHHPSFYAA-ABTIHDLSSA-N 440.504 2.295 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1587755333 YXHAHSVSCJAQHP-UHFFFAOYSA-N 442.545 2.268 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H]1SCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588060125 ZZYNGIXDXOSEOE-IEBWSBKVSA-N 430.599 2.498 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCOC)CC1 1594228926 DLAXRIHHACPCCA-UHFFFAOYSA-N 448.593 2.304 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1595020268 BUDWRNCDJPTOSJ-GOSISDBHSA-N 438.580 2.106 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1595094161 OJHQFKXUTWJLNR-XUZZJYLKSA-N 436.560 2.303 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595773205 UJFCJKUIDJJECO-HXUWFJFHSA-N 449.964 2.058 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCNc1nccc(C(F)(F)F)n1 1596813002 CYYCXJJGGDZHIZ-GFCCVEGCSA-N 434.430 2.195 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1597449166 WEZXWQPBVSHDGD-DLBZAZTESA-N 432.525 2.258 30 10 IEEE CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1615501118 BRDRIKCGTVFRFM-MEUCICPISA-N 442.545 2.396 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O 1618022199 QIQKVUAMLAWXRJ-WOJBJXKFSA-N 444.576 2.257 30 10 IEEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1O 1619269800 HPOIJEUXOSBZGM-OAQYLSRUSA-N 437.435 2.130 30 10 IEEE COCCOc1ncccc1Cn1c(C)nnc1N1CCN(c2ccccc2C#N)CC1 1620041105 YFNOWPIAEUZPRL-UHFFFAOYSA-N 433.516 2.253 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CNC2(c3cccc(C#N)c3)CCOCC2)CCC1 1620430209 OOKDUFJNEOYKLI-LJQANCHMSA-N 435.590 2.155 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N(C)C[C@@H](O)CN1CCOCC1 1625538760 KPUYCZDVXTXGGN-OAHLLOKOSA-N 428.327 2.171 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)n1 1626715354 YHQPJFHTRBUIEI-PMERELPUSA-N 436.578 2.013 30 10 IEEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccccc1 1627415079 ZUYWFOULTULTOJ-YRXWBPOGSA-N 432.542 2.147 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 1632048590 RRHVLDKCMQLSLY-AWEZNQCLSA-N 443.227 2.268 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1632078011 IZKYEWBGNBIOQY-OAHLLOKOSA-N 427.482 2.045 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cnc(I)c(O)c2)CCN1Cc1ccccc1 1633447134 YBBDBPSCHLNQMF-OAHLLOKOSA-N 448.264 2.242 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCCCS(C)(=O)=O)C2)C1 1639051275 DCHAWMZSTAGZLH-NGEICVOHSA-N 427.567 2.104 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)cc1F 1639271650 UDUPRXDDVHURFS-UHFFFAOYSA-N 430.230 2.176 30 10 IEEE CCOc1ccc(-c2nc(C)c(C(=O)NCCn3cc(C#N)c(O)nc3=O)s2)cc1 1641967681 GDZJFMRXTCSXGI-UHFFFAOYSA-N 425.470 2.081 30 10 IEEE C#CCN1CCN(C(=O)CN(C[C@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)CC1 1643418116 GAWVNRHFWZNIHA-GJZUVCINSA-N 449.595 2.439 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)CC1 1644429156 QWJMMJMXYPKUTQ-UHFFFAOYSA-N 428.226 2.498 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1-n1cnnc1 1645937766 NKUZIKAOSMKQAI-RKDXNWHRSA-N 444.286 2.244 30 10 IEEE CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1653760061 QCTMXWHKKUORRC-UHFFFAOYSA-N 429.864 2.156 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)cc1 1658516608 UVPUOOFXEBPMAW-SFHVURJKSA-N 432.521 2.438 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCc3cnc4c(Cl)cnn4c3)C2=O)cc1 1680025173 VRLPMCIGSRGTQS-GOSISDBHSA-N 437.891 2.292 30 10 IEEE C#CCOCCNC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1680949173 RECPJRMDGDTKQP-HOCLYGCPSA-N 445.413 2.030 30 10 IEEE CN(c1cccc(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1)S(C)(=O)=O 1685700602 BWFILDNZGWNGJA-UHFFFAOYSA-N 427.530 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1689830961 DXNRNGSRWWIVLD-DPLHUUCSSA-N 446.640 2.050 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCc2ccccc2C1 1689998425 LRAJWUASHALXHW-FQEVSTJZSA-N 430.556 2.034 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1690124016 CKZYPRHEJCJZSQ-HSZRJFAPSA-N 436.604 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690203308 XVCFFTZTGLXOOS-PONJGIIJSA-N 430.553 2.477 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1690285979 VBMZMGKMDGRPQV-IBGZPJMESA-N 440.523 2.477 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1690354094 DZDFFIDMZAZBIL-UHFFFAOYSA-N 439.969 2.254 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690428277 KYYGLQLYGYYDEC-QFIPXVFZSA-N 440.552 2.095 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2sccc2[C@H]1CC 1690655311 OFJXPMPBBWPXKU-MRXNPFEDSA-N 428.562 2.392 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690741985 CPGJHJRRKMVJEX-CABCVRRESA-N 436.582 2.252 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1690750625 NPEAMGTTXXUYMK-UHFFFAOYSA-N 431.562 2.453 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)C(F)(F)F 1697132115 JMONNGGQJLCOKJ-INIZCTEOSA-N 436.438 2.486 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1697775386 LELOTBXCDAVVTA-LJQANCHMSA-N 430.528 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NCc1ccccc1 1705478508 COQMKIKYDFWGJV-YADARESESA-N 439.560 2.483 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCOC)cc1 1705495961 XYRQYBSSPLWDHJ-IEBWSBKVSA-N 446.573 2.102 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H]1C(C)C 1705580284 GPNPVKVIERBINB-PGRDOPGGSA-N 444.539 2.326 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705656641 DPMYPBLXTAUWAP-NRFANRHFSA-N 427.530 2.351 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705907580 QQXBPVNHOKQGSI-UHFFFAOYSA-N 445.637 2.316 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1712694979 FUVWBSWNOVOIQE-MOPGFXCFSA-N 443.529 2.045 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCCCO)C1 1712875251 AVTQKMVPKKPVNP-FXAWDEMLSA-N 433.509 2.348 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(CCO)CCOCC(F)(F)F)o1 1712881388 RVBQPQHHFDYXTR-INIZCTEOSA-N 443.426 2.410 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)(C)C 1722330574 WAYTWUQHZBTDQE-UHFFFAOYSA-N 445.593 2.003 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722358429 HPQJDDHLQAJGOT-DENIHFKCSA-N 430.574 2.326 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1722358528 COUKUAQLZLWKQK-SFHVURJKSA-N 432.546 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC1CCS(=O)(=O)CC1 1722386433 XXUBNTUUHQWWRN-UHFFFAOYSA-N 440.569 2.317 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722409155 HDEXEMWWHFBXII-FQEVSTJZSA-N 438.576 2.356 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722452959 MMTUCLDHGLPUEJ-MRXNPFEDSA-N 446.552 2.365 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722462116 YDKHPVIPULIDPC-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1722469036 SBAXPRUQIZYXCO-ZTCOLXNVSA-N 445.608 2.279 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(CNC(C)=O)CC1 1722481181 WMKNYFWRXDFVIR-AWEZNQCLSA-N 444.374 2.263 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)on1 1722681270 IMDCYECBMNSXGP-UHFFFAOYSA-N 438.536 2.436 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722733424 ACTQOKUYWUWQLX-UHFFFAOYSA-N 425.580 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC)C1 1722752332 ZJHFJQNCVUEECS-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1723221421 MHCNTUPTVPCQRJ-UGNPLGLKSA-N 435.532 2.273 30 10 IEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F 1726751403 CVJYUOJBOVGFIS-HNNXBMFYSA-N 438.454 2.448 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1729609768 GDASIXBQAOWICX-AWEZNQCLSA-N 432.912 2.108 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCCC2)cc1 1730200821 FDZCHIRZXHIYET-OAQYLSRUSA-N 440.548 2.470 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1730942977 RKXXODXGXBHEIC-JZXOWHBKSA-N 430.553 2.047 30 10 IEEE CS[C@H](C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1731049495 YXBAVTUWIITNHF-MMOPVJDHSA-N 434.610 2.247 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1740573653 GBNCTJCJTKHDGE-OALUTQOASA-N 437.610 2.287 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCCN(c2nc(C)ns2)CC1 1740584063 CAAIXRGSJOUIGM-INIZCTEOSA-N 433.582 2.292 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1COc2ccccc2O1 1740631502 JVKAGHLFOAWNHE-DVECYGJZSA-N 436.512 2.232 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](SC)C(C)(C)C)CC1 1740690215 PQTHCZJLUHRJMO-QGZVFWFLSA-N 441.605 2.458 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1740699932 ZOSWKJNMXRFNCO-FQEVSTJZSA-N 440.567 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOc2ccccc2)CC1 1740704018 GBRLNMZRPXVSFQ-UHFFFAOYSA-N 430.512 2.385 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740718329 MIERFHRINULKCS-LJQANCHMSA-N 437.573 2.132 30 10 IEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 1740828470 LRWDKJUHGMISDW-UHFFFAOYSA-N 425.533 2.338 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740890032 QRZSZOLNBRSAJB-GOSISDBHSA-N 443.508 2.352 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1740957586 SYWQVYZFQMONKG-UHFFFAOYSA-N 439.545 2.142 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(C)c(OC)c1 1744096463 FPRHJSRBCZDWPX-IBGZPJMESA-N 440.548 2.485 30 10 IEEE CCN1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1=O 1746428906 GWIQLZIYIGNODY-UHFFFAOYSA-N 425.518 2.205 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(C)c2)ccc1OC(C)C 1748523837 AIXMVQOGJCRDNH-GOSISDBHSA-N 437.504 2.251 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1748914993 MOQSUCSRPKDZMF-UHFFFAOYSA-N 438.513 2.168 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1749033222 BDMOYLBMJNSTPQ-QZTJIDSGSA-N 447.511 2.452 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)CC1 1749135417 FCIKUTULMKJTCN-DYESRHJHSA-N 446.573 2.416 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CCO)Cc1ccccc1 1749136554 PFRLMKXDRVJXDV-OFNKIYASSA-N 439.560 2.381 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749210307 GYNFCWAGWSXYRI-UHFFFAOYSA-N 449.625 2.012 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 1749958912 BMPVXTUDFMCCLH-UHFFFAOYSA-N 437.548 2.226 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)C1 1750377879 BHWXARYFORXLSS-OXQOHEQNSA-N 439.557 2.362 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H](C(F)(F)F)O1 1752311512 CHGNLAOHADCZAA-BBRMVZONSA-N 436.438 2.451 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@]2(CCOC2)O1 1752321749 RIMKESISPFPYIC-VGSWGCGISA-N 443.573 2.317 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O 1760222848 ASFBWNHVMJGZAC-SFHVURJKSA-N 444.532 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1760270085 JEIOHVCXSSPQHK-SFHVURJKSA-N 438.551 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)c2nc(C)cs2)CC1 1760273189 KUWNUWGJWZQSDC-HNNXBMFYSA-N 430.578 2.349 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1760398313 UAPONQGIFXGRMD-OAQYLSRUSA-N 438.594 2.300 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1C[C@H]1C 1762292594 WGDBXGHZIGRVGR-SJLPKXTDSA-N 436.564 2.446 30 10 IEEE CCC[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763962988 GXRUCOGRJCEJIP-JLUOLNIDSA-N 428.537 2.467 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C)O1 1765309910 OBQUSSNKLVJDID-PRCFCKQXSA-N 438.532 2.211 30 10 IEEE CN(CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1768884250 XWVDWZAVUFXFKD-FQEVSTJZSA-N 437.548 2.046 30 10 IEEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1770606459 LAKSXTRVCKHGQN-ROUUACIJSA-N 426.546 2.432 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1772567402 NBOXQWNVPNYBRF-UHFFFAOYSA-N 440.523 2.339 30 10 IEEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1850296969 MEINBEXUGUSTOJ-SFHVURJKSA-N 443.491 2.074 30 10 IEEE C[S@](=O)c1ccccc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1851787570 HNBQSDJYQQWUAT-ADSBAMQRSA-N 428.510 2.232 30 10 IEEE N#Cc1ccc(C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)cc1 1852844348 UHUHNMQPRHCCPI-HXUWFJFHSA-N 426.494 2.321 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)c1 1854020956 UBOUUNNASLNRQZ-UHFFFAOYSA-N 425.510 2.167 30 10 IEEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855734582 SJYAOUFBLRCRGH-HNNXBMFYSA-N 427.482 2.019 30 10 IEEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCCN(C4CCSCC4)CC3)C2=O)cc1 1856494922 YRYIFZXFYPEZKR-NRFANRHFSA-N 426.586 2.132 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CC(=O)N1CCCCC1 1857174988 DKWXKJJCWIYVHR-UHFFFAOYSA-N 430.936 2.482 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1857427345 BXTUSHMDQIVYKR-UHFFFAOYSA-N 445.463 2.222 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN(C)C)=C(N)Oc2c1c(CC)nn2C 1864323807 SXHPLLZWZXYXDM-LJQANCHMSA-N 439.560 2.310 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(CC)nn2C 1865226086 SWVYHJOFAJADOU-IBGZPJMESA-N 437.544 2.016 30 10 IEEE CCCCS(=O)(=O)Nc1c(C#N)nnn1-c1ccc(I)cc1 1870098824 DWLOPXJOKBUALX-UHFFFAOYSA-N 431.259 2.285 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)c(C)c1 1870099621 OWXRDODWDRFRIC-UHFFFAOYSA-N 426.414 2.104 30 10 IEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(F)c1 1889423413 YCEJNYJRARHBLA-UHFFFAOYSA-N 431.552 2.485 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060634807 DPOVRFCAOZDWNB-CQSZACIVSA-N 430.314 2.137 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751779 IGUXPLPJKWTYEM-YNZWCRRESA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2124540436 HIVBMZPXVKDWDK-YDDBSAARSA-N 448.369 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2141249139 VIEOEYFEJTUKFN-INIZCTEOSA-N 447.341 2.083 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#N)c(F)c1 2164487805 QETWUFJZAZYNBD-HXUWFJFHSA-N 433.436 2.141 30 10 IEEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2247880888 NFHRWDZWTWTMES-AWEZNQCLSA-N 440.371 2.177 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)CO[C@H]2C1 2255380003 SZBCXKRVAOFGBK-JYJNAYRXSA-N 431.342 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255606679 UAIAISDUUHYMSJ-HKZYLEAXSA-N 438.330 2.439 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255619877 TWKKSDYMKZDXFW-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CCC1 2255632060 HTGLRVSQXAJUMC-OAHLLOKOSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2255696000 NUDFOOUDJBIZCC-JKSUJKDBSA-N 429.326 2.215 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2255831553 XONWAWLCKZATBJ-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2257486220 FUNXTROXBHOCHE-HOCLYGCPSA-N 431.342 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2258957090 KGWOWVKVKHOZET-ULQDDVLXSA-N 434.342 2.009 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267091223 HNPKUUQFYMXROL-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267187474 YXBKICAAQUMAMN-CABCVRRESA-N 447.316 2.354 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267272246 YFECZOXOEDVQPZ-HZPDHXFCSA-N 449.332 2.458 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505875 OXNXBRIKRYTICJ-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267514535 APUNHMMRFHYTIB-CVEARBPZSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267530662 DZJLHNMHKDAHHI-KBPBESRZSA-N 446.357 2.084 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2267549685 OLYDLCRMOVUAPH-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277732788 YUITWZUZIIQBHU-SECBINFHSA-N 425.287 2.287 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1nccn1Cc1ccccc1 2281996688 RSTUXRHOZALTIO-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H](c2ccncc2)C1=C(O)c1ccc(Cl)cc1 2296564588 ULXRTPPRKWAGNZ-NVXWUHKLSA-N 432.885 2.344 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCOCCN(C)C(=O)OC(C)(C)C)[nH]1 2315387666 LMLFSRHBJRKVGT-UHFFFAOYSA-N 435.374 2.407 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=Cc1cc(OC)c(OC)c(OC)c1 2323674642 NDBRDVRZHJZEJS-IBGZPJMESA-N 440.496 2.461 30 10 IEEE COC(=O)c1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327901976 ISSGBNIDNJJFLK-INIZCTEOSA-N 445.545 2.146 30 10 IEEE CC(C)(C#C[C@@]1(OCCC(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2365248149 KFSHTUBZBAIPBI-UWJYYQICSA-N 437.514 2.132 30 10 IEEE Cc1nn(C)cc1/C=N/Nc1nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 20424332 SAKBIAHNDBLVEP-GIJQJNRQSA-N 429.466 2.322 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)cn1 59831894 SIMJDPIOMSWYOT-QGMBQPNBSA-N 427.450 2.272 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 64718392 LJHATBBGYZMNAO-UHFFFAOYSA-N 436.541 2.496 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCCOc2ccc(C#N)cc2)c1 460285076 YDPPTHGCGBASHL-UHFFFAOYSA-N 431.514 2.406 30 10 IEEE Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465496753 SSVHKAZVVHNBTL-QGZVFWFLSA-N 428.496 2.467 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCCNC(=O)c2ccc(Br)cc2)cc1 465706659 BWNUUBQUQACKEZ-UHFFFAOYSA-N 431.290 2.429 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C3(c4ccc(F)cc4F)CCOCC3)CC2)c1C#N 472685632 MFXKVRIOWRVBMO-UHFFFAOYSA-N 429.471 2.275 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCc3c(O)cccc32)CC1 476021210 KPLQVCVFCKOOCQ-IBGZPJMESA-N 425.510 2.217 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)cc1 482313426 IPLYNVNFISFYIS-KRWDZBQOSA-N 443.525 2.257 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](O)(C(F)(F)F)C1 508466791 WBKZQWGNZHEFTI-QGZVFWFLSA-N 444.483 2.236 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(CCn2nc3ccccn3c2=O)CC1 512455452 DVRKUJDMORDIFT-GOSISDBHSA-N 441.333 2.141 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 531711750 XCJDUAMXENRMNT-NVXWUHKLSA-N 435.546 2.195 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(CC)CCN(Cc3ccccc3)CC2)CC1 532813984 QTZGVSPEYXDBRU-UHFFFAOYSA-N 441.620 2.308 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)ccc1F 533637553 GENUTFQCGPMMNE-UHFFFAOYSA-N 437.518 2.101 30 10 IEEE Cn1c(=O)nc(O)c2cc(S(=O)(=O)NCc3ccc(-c4ccccc4C#N)cc3)cnc21 540214321 ZUKBJRIKRPPKON-UHFFFAOYSA-N 447.476 2.051 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nnc4ccccn34)CC2)CC1 540468308 WITNUHDONWZYFU-LJQANCHMSA-N 449.584 2.379 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccnc3[nH]nnc23)CC1 559277920 JSNWKUYHAWJAHF-OAHLLOKOSA-N 426.278 2.138 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)cc1 561319652 AAFNWAKCPJMYTP-NSHDSACASA-N 425.308 2.194 30 10 IEEE C=CCN(C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 589468923 FCFUYYPRYBUUPF-HXUWFJFHSA-N 433.574 2.152 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccc(F)cc1 590972679 AJXXIIXVLXULAL-UHFFFAOYSA-N 427.526 2.437 30 10 IEEE CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)nc1 609641716 KJRWWDVJZRFGBA-UHFFFAOYSA-N 443.529 2.438 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)CC(=O)N2C)cc1 609701676 RMZRDKYDJSMUSI-NQIIRXRSSA-N 449.511 2.300 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2C[C@H]2CCCO2)cc1 619853170 KJRHNAVEXPVSKB-NJYVYQBISA-N 439.516 2.292 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(Cc2noc(C)n2)CC1 642720972 LWIOWGBVUWHSDN-UHFFFAOYSA-N 430.557 2.176 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC(NS(C)(=O)=O)CC1 670213873 ZVCUGDUVEHPCTK-UHFFFAOYSA-N 444.605 2.325 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1OC 729427135 GHOISVDBEKVPOI-IBGZPJMESA-N 443.525 2.486 30 10 IEEE O=C(CSCc1ccc(Br)cc1F)NCCN/C(O)=C1/N=CC=CC1=O 732154577 SYMIMIFKSNDNDO-MSUUIHNZSA-N 442.310 2.464 30 10 IEEE C[C@]1(c2ccc(Br)cc2)CC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732673127 VSNUEVCJSAHNAI-YLJYHZDGSA-N 431.334 2.095 30 10 IEEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1NC(=O)OC(C)(C)C 732707350 YFXUYPCMFXGOQM-MRXNPFEDSA-N 443.504 2.179 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1C(F)(F)F 739748703 BXHAMWMTOCFPQS-HNNXBMFYSA-N 433.452 2.075 30 10 IEEE CNC(=O)c1cccc(CCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 751635247 JSQDVWSENOHDCD-QQTULTPQSA-N 442.541 2.430 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)C1 760300519 IUEKDFMOMOXCOK-IAGOWNOFSA-N 447.536 2.230 30 10 IEEE N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 770502827 DNPNFTSGMFGVGE-GFAPJHNFSA-N 434.823 2.252 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc([C@@H]4CCCOC4)cc3)CC2)o1 780270461 KMCOYGPQGMOCEM-LJQANCHMSA-N 438.484 2.254 30 10 IEEE N#Cc1cccc(CNC(=O)COC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 782402671 QADWGRBEPQCTOG-UHFFFAOYSA-N 444.241 2.125 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O 785651816 GXNPGNIHEWYBSS-MGNRZLNZSA-N 446.592 2.182 30 10 IEEE C#CCn1ccc(CN(CC)Cn2ncc(Br)c(Br)c2=O)n1 788371962 OTPNPTNCLZKGGN-UHFFFAOYSA-N 429.116 2.078 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)n1 789051329 BZEIPDBKMLIWSJ-INIZCTEOSA-N 438.488 2.494 30 10 IEEE COC(=O)c1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCC(F)(F)F)oc1C 789992610 WVTMWWIYIVCKKY-UHFFFAOYSA-N 428.396 2.378 30 10 IEEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 790702140 QMPQOJQZILJOJF-HKUYNNGSSA-N 425.558 2.360 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802603642 WWNOYDVFJRSFMQ-GAJHUEQPSA-N 440.500 2.308 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 812182056 BAHYPAIGGHJNBW-IAGOWNOFSA-N 448.568 2.254 30 10 IEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)c1C 1083917541 KBIWWQFLTSISKH-UHFFFAOYSA-N 425.522 2.168 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1OC 1083967199 CQXKHBKBFMYVQM-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(F)ccc2N2CCOCC2)c1 1136848467 HCVYLGWMQWABAR-UHFFFAOYSA-N 435.452 2.029 30 10 IEEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1137335811 FUNDSNBZVMWBKK-MOPGFXCFSA-N 449.596 2.119 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@](C)(C(F)F)C1 1148366848 FMHRWPSHRIEHJL-IFXJQAMLSA-N 429.489 2.022 30 10 IEEE Cc1cc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)c(C)n1-c1ccc(C#N)cc1 1161808908 AUEOVNOMYYMMKI-UHFFFAOYSA-N 435.572 2.492 30 10 IEEE CN(CCOCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1253269346 YJVUCDRZBCXOPH-UHFFFAOYSA-N 445.564 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)C(C)C)CC1 1286489378 QKROSWMMDHDNAF-UHFFFAOYSA-N 443.983 2.300 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1 1286516473 GYROSZXMGWKUFV-XMSQKQJNSA-N 444.605 2.407 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1286755260 RGVSXBQPIHTKDP-OAQYLSRUSA-N 429.594 2.065 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc3c(cc2C1)CCCC3 1286781689 XJNREOOZCYBKAJ-UHFFFAOYSA-N 436.560 2.160 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1287090070 WCTLFEKOTFYNDS-UAFMIMERSA-N 447.580 2.369 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OCC)CCOC1 1296250849 GWTVGMFSPYTZOK-QFIPXVFZSA-N 432.569 2.223 30 10 IEEE C[C@H](Sc1ncccc1C(=O)NCc1ccc(C(=O)NO)cc1)C(=O)N1CCCC1 1297053960 FTRGDVKZFXYQGM-AWEZNQCLSA-N 428.514 2.234 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300358418 TVNJPKUSGOFVRC-UHFFFAOYSA-N 434.548 2.457 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)C(=O)NC 1300656740 AWAUCIVFRQOKJB-UHFFFAOYSA-N 435.532 2.193 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300823822 KCYVEVOUTINRFH-WMLDXEAASA-N 439.402 2.299 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1301071087 WRFQAOOKGVLQSF-REWPJTCUSA-N 433.597 2.322 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1301459198 VVSZDHZLINFNBC-XUVXKRRUSA-N 430.597 2.175 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301507919 BCSAFWRGLMYCHJ-LJQANCHMSA-N 439.560 2.140 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301528568 BRZHBAMOAIYKFJ-GOSISDBHSA-N 433.578 2.307 30 10 IEEE COCCn1cc(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)cn1 1301851583 DMTRBIPZDLPANE-HNNXBMFYSA-N 447.503 2.081 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(C)(=O)=O 1302176204 HWYXSOVEAVBXIF-SFHVURJKSA-N 431.562 2.361 30 10 IEEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCNS(C)(=O)=O)o1 1304301197 QSGNFTXJPXVTRY-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1C 1304424895 IPLCGLGVCFSLOR-HXUWFJFHSA-N 440.548 2.365 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@H]1C 1305467854 PRSOVEFKKPXENG-HZPDHXFCSA-N 425.537 2.047 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CCO2)cc1 1308114956 RWZVUAQXSCSEGR-LEWJYISDSA-N 435.553 2.402 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2occc2C)C1 1314006115 HBTFWWVKTBYJQQ-GOSISDBHSA-N 440.529 2.285 30 10 IEEE COC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1315130244 HWTCTYFYMRPUBG-IBGZPJMESA-N 438.532 2.389 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H](C)CN1CCOCC1 1359016052 NWYLBJRKOIYWRS-LJQANCHMSA-N 449.534 2.482 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)c1nccs1 1359023739 UORRKEWSRPNRHD-AWEZNQCLSA-N 428.518 2.352 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359060636 CGISZIDIXNPTMV-GOSISDBHSA-N 443.573 2.337 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359132278 SCHRVWWTKQNYBQ-LEWJYISDSA-N 432.613 2.329 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1359197532 SGRVGNFBRBPYHB-LJQANCHMSA-N 447.605 2.418 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)C1 1359322891 DRDJMSGZLYFWMQ-OAQYLSRUSA-N 439.608 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCCCC2)nnc1[C@]1(OC(C)C)CCOC1 1359335241 FUOFIRCVIXXQRP-FQEVSTJZSA-N 426.583 2.300 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1359848537 BKCSUBDIDGCASZ-HXOBKFHXSA-N 442.539 2.354 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1360475480 AZSSOTNHNLTVNI-HOTGVXAUSA-N 434.541 2.204 30 10 IEEE CC(C)N(Cc1ccco1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1360665226 APFQHDJDMLDFIQ-CQSZACIVSA-N 432.506 2.409 30 10 IEEE Cc1ccsc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1360960290 HUHGGSBCJMRYMW-UHFFFAOYSA-N 449.584 2.445 30 10 IEEE CCOC(=O)[C@@]1(F)CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC12CCC2 1453286649 XUWSODNOFFEDDL-QFIPXVFZSA-N 427.480 2.434 30 10 IEEE CN1CCN(C2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)CC1 1454880410 QMZMUCAZNVOCCE-SZTYLXMGSA-N 445.608 2.012 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1)c1cc[nH]n1 1455296754 YIVJGFULNCRZBG-IBGZPJMESA-N 441.532 2.207 30 10 IEEE Cn1c(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nnc1-c1ccccc1 1464064665 IGXVBYYAZRYHEF-UHFFFAOYSA-N 440.511 2.413 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(N(C)C)c(Br)cn2)c1 1468104987 RLUVSNJJWWTSGB-UHFFFAOYSA-N 437.319 2.074 30 10 IEEE CCOC(=O)COCCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470208768 GNSZERPWUJSJBW-RKDXNWHRSA-N 442.303 2.379 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)c1 1470672285 PWHJLEHJLKJECK-XMMPIXPASA-N 448.571 2.118 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1472249150 BNNCCAHZJOFACV-CRAIPNDOSA-N 426.517 2.073 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1472249152 BNNCCAHZJOFACV-QAPCUYQASA-N 426.517 2.073 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1c(C)nn(CCC#N)c1C 1472312178 XHTGBUQLEUBNCR-GOSISDBHSA-N 433.553 2.441 30 10 IEEE CCOC(=O)C[C@H](C)CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1478361597 FTXYWASLMLISML-INIZCTEOSA-N 426.521 2.456 30 10 IEEE Cn1cc(CNC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 1478419167 YFFREYMOKVLJPI-IBGZPJMESA-N 427.530 2.067 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507622776 LSLZSHFWRTUZEF-AEFFLSMTSA-N 444.557 2.238 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507629861 XDYXMKXRHRHWOF-LJQANCHMSA-N 441.557 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1NC(=O)CC1(C)C 1507675306 BGNOALCGZSMKDG-FQEVSTJZSA-N 435.528 2.243 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)c2cccc(OC)c2)CC1 1507725398 UXOPKLPIFBGLHJ-UHFFFAOYSA-N 433.560 2.420 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1507732050 RVXLGNCLKDZDAS-NRFANRHFSA-N 436.560 2.128 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(Cl)c2)CC1 1507738288 LMLKSUMFLKLYID-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C#CCSCCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C 1507758996 XEDYVHMOQYJQDB-IBGZPJMESA-N 440.617 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCN(C)CC1 1507759339 FTZYWJUUDIUNDR-OAQYLSRUSA-N 430.622 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1507773126 ZUWZXSMWXKOHQN-ZMPRRUGASA-N 440.552 2.218 30 10 IEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507775097 IDHAJOOWCJDGFH-CYBMUJFWSA-N 449.309 2.223 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507836160 YUZPWAGLBNEOTO-QFIPXVFZSA-N 431.512 2.246 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508134782 HLSNAVKKMGULSB-RBUKOAKNSA-N 446.573 2.417 30 10 IEEE CC(C)(C)C1=CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508477598 PRXCYHCWMHCBEV-BSBNDGSWSA-N 440.548 2.491 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(-n2cccn2)cc1 1509639300 SMGMQIYAQSHCKY-QFIPXVFZSA-N 436.495 2.287 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCOC 1513398723 XXSBZTHDIQMIHQ-UHFFFAOYSA-N 439.564 2.431 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCO[C@H]2CCOC2)CCOC1 1516170942 POPVDOVEJKMCCC-AVRDEDQJSA-N 433.553 2.256 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1518590171 BLHXCDJZHUMDEB-OAQYLSRUSA-N 448.527 2.399 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nnnn2C)ccc1Cl 1520623205 IXGVATJEPPLZAV-UHFFFAOYSA-N 432.893 2.497 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1521062488 DXDIPKNVGRXBAZ-FXAWDEMLSA-N 435.500 2.417 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CCOCC(F)F)c1 1521075346 MOQJSWDNJXFVGJ-GOSISDBHSA-N 446.502 2.257 30 10 IEEE C=CCCn1cc(C(=O)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)nn1 1524327545 OVNMYWYBLCTOCI-HNNXBMFYSA-N 446.474 2.068 30 10 IEEE COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@]1(C#N)CCCOC1 1525705152 MFOHWDILGLYRKA-LPHOPBHVSA-N 434.290 2.451 30 10 IEEE CC(C)[C@@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)c2ccccc2C1=O 1531343012 VSPHJIYXMPIFKA-IBGZPJMESA-N 428.452 2.457 30 10 IEEE COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1531658383 DVGPOTHJKNTCCU-NVXWUHKLSA-N 433.892 2.135 30 10 IEEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCc2ccc(C#N)cc2)C1=O 1538896043 OHUFQNFCDAUAMQ-OAQYLSRUSA-N 428.851 2.477 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1538972581 KSLRVKQOTVCPTM-CVEARBPZSA-N 431.562 2.087 30 10 IEEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539053039 YHGVXIGITAUVPH-QGZVFWFLSA-N 446.349 2.462 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2cncn2)nc1 1539307335 QSBDFHCYAIGHCD-UHFFFAOYSA-N 443.902 2.480 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1539315926 ZJVSFJCIVUCBNT-UHFFFAOYSA-N 441.539 2.391 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1 1539595990 HULSIDPTEBSEEW-HNNXBMFYSA-N 426.359 2.433 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)c2ccccc2)CC1 1539898765 XUKRPDFHTOAMBZ-UHFFFAOYSA-N 443.573 2.277 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540040241 POLKFNROASEVPK-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1)C1CC1 1540109726 RUVXIYIXSWICKK-QGZVFWFLSA-N 437.591 2.184 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1540912451 YYYFYZPYNXNTAR-HNNXBMFYSA-N 444.561 2.095 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1)N(C)C 1541840075 CFXVCNPKCAYWJR-KRWDZBQOSA-N 436.564 2.151 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)c2ccccc2)C1 1541989220 ICMRIILWARRLPI-OAQYLSRUSA-N 437.529 2.339 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCn2ncc(I)c21 1544760720 GWFBNZOTGFAXNG-UHFFFAOYSA-N 437.241 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1545718673 OBROLDUHTQITGK-HSZRJFAPSA-N 444.532 2.220 30 10 IEEE CSCCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555910635 FBGXCSSSAMEHDI-QZTJIDSGSA-N 431.610 2.329 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1556071097 BTZQPYFDBFFUOH-IBGZPJMESA-N 438.488 2.155 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)s1 1566053421 OMUYGVITLWASHU-UHFFFAOYSA-N 448.545 2.439 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1587823535 UPNTUXHVGGFJSQ-UHFFFAOYSA-N 433.560 2.221 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588029051 CUVIJQVONNMJAD-RBUKOAKNSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588049169 BDYXNVWGRXZURZ-MRXNPFEDSA-N 447.561 2.069 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1588064192 CMZIZIIXOLNOJI-LJQANCHMSA-N 441.582 2.309 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588064824 PTIKFWPZGYDRHG-VAMGGRTRSA-N 434.606 2.189 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1588420518 DLFKQFJDHBJJPK-LJQANCHMSA-N 443.621 2.036 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1588560466 QQOVAXDXTRNWHW-KDURUIRLSA-N 432.613 2.259 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1589150711 JIHHZDXPNRRUDD-CKJXQJPGSA-N 429.546 2.057 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1589544968 LEYGBOCKNBMVNN-BDXSIMOUSA-N 438.594 2.023 30 10 IEEE N#Cc1cc(NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)ccc1N1CCC(O)CC1 1595912874 AINCAPBULSQFRJ-GOSISDBHSA-N 441.509 2.083 30 10 IEEE Cn1c(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nnc1C1CCC1 1597476727 GBFJLWFNJDLEPX-JXORXQGFSA-N 428.537 2.486 30 10 IEEE CC(C)C(=O)NCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1598080804 SJCXEMLKCDSEFY-UHFFFAOYSA-N 438.580 2.331 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN(C)C(C)C 1609506572 CPMIXAKSSLACPC-FQEVSTJZSA-N 439.564 2.034 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCO[C@H](C)C1 1616922550 DIMDSZJNZKVKDI-QZTJIDSGSA-N 425.537 2.223 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1619613123 MOYCOGKBSPBSQR-OXJNMPFZSA-N 435.525 2.463 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccc(C)n1 1620020465 YMMKSDAZBHVGKB-NQIIRXRSSA-N 439.564 2.125 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 1625951491 DHHRXJKYCGEUDC-OAQYLSRUSA-N 444.576 2.240 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1)c1cc[nH]n1 1626876710 IUUPFQDSSQVQCW-QGZVFWFLSA-N 426.477 2.473 30 10 IEEE C[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1nnc(O)n1C 1631466307 DNLKITBCPZUKBJ-WBMJQRKESA-N 426.477 2.104 30 10 IEEE C#CCN(C(=O)NC1CCN([C@H]2CCC[C@H]2O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1633151855 WAXJBOZIUYGMFZ-LEWJYISDSA-N 448.608 2.409 30 10 IEEE CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N(C)C)cc1 1634109341 ZHXAWOOEIYRBPT-IHPCNDPISA-N 444.580 2.414 30 10 IEEE Cc1nc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc2n1[C@H](C)CO 1636582170 ANIZHRFHDMUHSR-KGLIPLIRSA-N 441.513 2.075 30 10 IEEE Cc1cc(C(C)(C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Br 1637513276 MATOFMSHENVNLM-UHFFFAOYSA-N 431.290 2.253 30 10 IEEE CCOc1ccc(Nc2ncccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1639815995 FJOJYPVWGZAVTI-YCRPNKLZSA-N 426.498 2.234 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 1639963097 TWANWGGPCNWHRL-MSOLQXFVSA-N 433.555 2.355 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1642320478 FDJSRXAWUULJND-IIBYNOLFSA-N 427.526 2.197 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1644462947 UORGABURFMMNSX-XJKSGUPXSA-N 425.323 2.360 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3(CC(=O)N4CCOCC4)CCCC3)C2)nc1 1646094714 ANVVYTQEBPGVJD-IBGZPJMESA-N 425.533 2.165 30 10 IEEE COC(=O)NC1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1647865890 DEJQJVSQLBPFKQ-QGZVFWFLSA-N 443.548 2.176 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3cccc(C#N)c3)C(F)(F)F)CC2)o1 1655409927 ROJSPSDTHLTTNS-SFHVURJKSA-N 432.406 2.268 30 10 IEEE C#CCN(C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)[C@H]1CCS(=O)(=O)C1 1669929979 UILWNOGCAWJGEC-ZDUSSCGKSA-N 443.497 2.045 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1686761980 FAFPTFINDNXISN-QGZVFWFLSA-N 448.511 2.334 30 10 IEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)C1 1689892659 KPYSTRWODQHHDV-UHFFFAOYSA-N 444.580 2.475 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1689902105 VJZUVXXCANXGLG-GOSISDBHSA-N 442.589 2.378 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1690058922 FCYFMBGLZVUDNN-AWEZNQCLSA-N 431.518 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1690105086 SGKXCGASPCQHGX-UHFFFAOYSA-N 442.583 2.120 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cs2)CC1 1690317077 SIVYOEPNOXUINZ-UHFFFAOYSA-N 445.593 2.085 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C)C1CC1 1690537927 XTPSKPCDKUKFQB-DLBZAZTESA-N 444.605 2.494 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(C)cccc2C1 1690659674 ZQOLILGQCYMJFH-UHFFFAOYSA-N 431.500 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1Br 1690667671 CVQLKWLWZVISSU-UHFFFAOYSA-N 444.337 2.380 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690749990 WFFMNPUVCDUXLD-LJQANCHMSA-N 426.594 2.236 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1690916132 SMRIFECCHWSEFL-HNNXBMFYSA-N 425.518 2.252 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)C1 1692843991 MRMSTUZUWPQFTC-HXUWFJFHSA-N 429.550 2.171 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1695913360 CADXRKHBTDJQOD-AWEZNQCLSA-N 432.475 2.038 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1696497582 GQWAZGJGLWMPRX-IBGZPJMESA-N 446.577 2.010 30 10 IEEE CN(CCc1cccs1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696784759 FQXZSMKFHPWZQV-VXPUYCOJSA-N 426.546 2.497 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1698428865 LFBWOXWLUULQDF-IIBYNOLFSA-N 431.562 2.458 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)c1 1705504888 FRGHCTNLZMKFBE-UHFFFAOYSA-N 438.451 2.304 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705519129 ZWCUHUOKHDSRLR-OAQYLSRUSA-N 449.603 2.200 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705568938 AZHIAEODLGEZRX-NEWSRXKRSA-N 448.614 2.108 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CCN1CCOCC1(C)C 1705600887 OSJRKHWCJZCPRF-UHFFFAOYSA-N 435.572 2.473 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccoc2)CC1 1705632415 PJLQMLDOYMLIPL-UHFFFAOYSA-N 438.919 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC(=O)NC2CCCCC2)CC1 1705644209 JASISLAWKJGRBO-UHFFFAOYSA-N 428.581 2.206 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1705666063 NDHIYEOBSUKGHK-INIZCTEOSA-N 431.537 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCn2cccn2)nnc1[C@]1(OCC)CCOC1 1705708637 FJOMQJFTWLODTK-DXIQSLLYSA-N 430.553 2.244 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705905869 JUGIBFSLUIQUSH-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705932811 KSFMNANXIUOIOF-GOSISDBHSA-N 441.561 2.188 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(N(C)C)c2)CCOC1 1706678104 BSVMEHAVQJBKIV-OFNKIYASSA-N 440.548 2.162 30 10 IEEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1708229665 ZYOHZJFSWKSKOU-DNTCVELPSA-N 430.578 2.479 30 10 IEEE CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1711284444 INPPCNRHFKTHLH-MOPGFXCFSA-N 449.559 2.030 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1c(C)nc2ccccc21 1712565724 GTFUOFGOHVTIFT-WMZOPIPTSA-N 439.520 2.089 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722296904 BUBGMBLQAKDBLL-IAGOWNOFSA-N 440.573 2.090 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1722362347 NIKUQIQIEAHKGF-FQEVSTJZSA-N 428.558 2.389 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722370266 BBPZNZURMGTMEC-LJQANCHMSA-N 445.589 2.485 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)(F)F)c2)CC1 1722439991 AAOXDMJXCBDOMH-UHFFFAOYSA-N 446.477 2.223 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 1722445191 TZTZEBXYBJDLLM-UHFFFAOYSA-N 439.535 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCOCC1 1722474523 GDDIXPZBOPZSSZ-IBPRQYQWSA-N 445.608 2.351 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722477133 CHWJPQSXFAMUPE-UHFFFAOYSA-N 425.375 2.055 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O)c1ccccc1 1722538870 ZEGPTFKTFQTSRJ-UHFFFAOYSA-N 431.562 2.098 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722558047 BTRHVLYXWFWADX-JXFKEZNVSA-N 438.960 2.112 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1722671560 XMIGSAQLBOTXAR-QGZVFWFLSA-N 435.532 2.493 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)OCCc2sccc21 1722679820 MTYBBXRFEFYIBN-HRAATJIYSA-N 431.562 2.418 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@H](C)CC)C1 1722714459 NITWIUDSHNMHKV-CVEARBPZSA-N 444.536 2.092 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1722729456 LADFEPLXUOUQFS-UHFFFAOYSA-N 435.569 2.139 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1723777962 CHGPGBUFDJYLRE-SZVBFZGTSA-N 448.568 2.361 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)cs1 1725343836 LAYFJRDDCGHYJG-GHTZIAJQSA-N 447.584 2.313 30 10 IEEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 1726631744 HSGYAYXUCBQDHC-FQEVSTJZSA-N 442.589 2.172 30 10 IEEE CCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1728564333 KYOQPYXROYQESG-SFHVURJKSA-N 430.578 2.029 30 10 IEEE CCOC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1728728881 KGBDVLCUPDMGHZ-GOSISDBHSA-N 425.537 2.190 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnc2n1CCCCC2 1740633623 OHMCEKFJVGMBRA-UHFFFAOYSA-N 430.472 2.292 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(COC)CCCC1 1740724754 IHGSUGLMJKQKMS-FXAWDEMLSA-N 437.610 2.477 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740783925 AEPJGQONZATTQT-HXUWFJFHSA-N 437.592 2.363 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)cc2)C1 1740977427 VBZNLQOXTCYHIX-LJQANCHMSA-N 433.516 2.255 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740993748 HRPMAPXHZJIXRE-OAQYLSRUSA-N 438.594 2.302 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1741127667 GKFKXPGWZVTZHB-LSDHHAIUSA-N 431.518 2.094 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1741678218 LYMYBXGJYAHJOP-UHFFFAOYSA-N 447.543 2.294 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1747730033 BQMHNGIIRVIYBM-IBGZPJMESA-N 429.546 2.115 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748809200 KMQLWRDREOCMGK-HXUWFJFHSA-N 441.601 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1748898729 QRDPNVMXLHVRCV-VHXPQNKSSA-N 442.523 2.053 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)[C@H](C)CC)CC1 1748983957 DHHUSSHMHHNONY-UZUQRXQVSA-N 425.533 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(C)C2CC2)CC1 1749015410 DBLSTVUGPOAJDS-UHFFFAOYSA-N 440.592 2.193 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCSC1 1749498808 JJOJIFOBDPJKAH-QHCPKHFHSA-N 442.633 2.133 30 10 IEEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1749515275 UWJJWDLZLSXLDF-QGZVFWFLSA-N 426.546 2.253 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1 1749650818 HSTRUWYSCJCYMF-AWEZNQCLSA-N 446.939 2.075 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C[C@@H]1CCOC1)C1CC1 1749652030 GKOIRYVGGQWILI-ZDUSSCGKSA-N 449.353 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1760116081 FGYWNPQRJQWFLH-IPJJNNNSSA-N 438.576 2.275 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760148899 PIHSCGDVURYAES-UHFFFAOYSA-N 429.956 2.054 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1760188385 KKXCKLWTRAXUOU-HUUCEWRRSA-N 430.559 2.160 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1760235847 ZAZLVWXYPHEACC-QZTJIDSGSA-N 433.553 2.473 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1760254124 OLJIOZKRPLLAJJ-QGZVFWFLSA-N 426.540 2.424 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@H]2C)CC1 1760260829 FNAXGQIGMGNIKJ-QZTJIDSGSA-N 426.590 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccs2)CC1 1760267227 WDWCQIQKEVBLSM-UHFFFAOYSA-N 445.552 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@H]2CCCCO2)CC1 1760270018 RWBLECIVUBYHNW-LEWJYISDSA-N 443.592 2.487 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1761142486 AETPEEQRGLPDFO-KRWDZBQOSA-N 432.475 2.449 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1762404510 JDAPWVZWJCWKPV-OAQYLSRUSA-N 443.573 2.383 30 10 IEEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1)C(F)(F)F 1768066049 GBIQJYQGWLBDHA-KBXCAEBGSA-N 428.459 2.498 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC[C@@H]2OC)cc1 1768732935 AKDXPZAKKIIWPS-WVBUVRCRSA-N 445.495 2.359 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1770331541 UHPQRQWFZKYCGS-OAQYLSRUSA-N 429.546 2.258 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)CC1 1849695577 SXLWWHSRESRUBK-SFHVURJKSA-N 426.492 2.179 30 10 IEEE Cc1ccc(S(=O)(=O)C[C@H](COc2ccc(C#N)cc2)OCCN2CCOCC2)cc1 1851844094 BHDYNZZGLNTUAO-QFIPXVFZSA-N 444.553 2.437 30 10 IEEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C1(C)C 1854568939 GMPCBGUQEYJJAQ-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE COc1ccc2sc(N3CC(C(=O)N4CCN([C@@H](C)CCC#N)CC4=O)C3)nc2c1 1856407525 HGJMVICXFGILFT-AWEZNQCLSA-N 427.530 2.104 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)Cc2cccnc2Cl)C1=O 1857039194 ZUGLFCFRUQGMMS-ZDUSSCGKSA-N 432.889 2.147 30 10 IEEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cn1 1858260167 MAQPFCQWWGOVMK-UHFFFAOYSA-N 439.431 2.465 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858334123 CGFBTXROVPDZFH-QGZVFWFLSA-N 449.554 2.087 30 10 IEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)COc3ccc(Cl)cc3)cc2C1=O 1870152639 COMLSEGZCZUDNI-UHFFFAOYSA-N 436.815 2.036 30 10 IEEE C#CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870560734 JSFOZCDVDDORKN-QHCPKHFHSA-N 437.540 2.370 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1C 1874433092 CVHTZKCEMRMLPM-AUEPDCJTSA-N 426.502 2.106 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(N(C)C)cc1 1874501132 RMYSSVROROHWBC-SSDVNMTOSA-N 428.518 2.374 30 10 IEEE C=CCOc1ccccc1OCc1nnc2n1N(C(=O)COCCOC)[C@@H](C)CS2 1875081290 BPYXJGJTPIYFCD-HNNXBMFYSA-N 434.518 2.044 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(Oc1ccc(C#N)cc1Br)C(=O)O 1889033393 NRRDQKOADKDCLR-CXAGYDPISA-N 427.251 2.446 30 10 IEEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)C2CC2)CC1 1889738352 YCOJRFWIWIOFOB-UHFFFAOYSA-N 444.475 2.408 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1890394091 DTOPCTQVGVCMNG-UHFFFAOYSA-N 428.496 2.304 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1993269354 FOONNZGTCHDKNM-NRFANRHFSA-N 427.542 2.336 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)CCCOCc3ccccc3)nc2)OC1(C)C 1996643768 NFVXBYZQIIEOAU-UHFFFAOYSA-N 433.339 2.124 30 10 IEEE C/C1=C/CC(C)(C)/C=C/C[C@]2(C)O[C@H]3O[C@@]4(C(=O)O)O[C@@](C[C@@H]2C[C@@H]1O)(C3=O)[C@@]1(C)O[C@H]41 2060544142 INBKHVOJSUKTRK-XQGZAQLNSA-N 448.512 2.488 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)nn1 2060623206 JRVPLUIFZGEWOX-SSDMNJCBSA-N 435.334 2.122 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637526 LYLVFTBCOKKXRM-OAHLLOKOSA-N 430.314 2.021 30 10 IEEE CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)NC[C@H](O)COc2ccccc2)c1 2069681938 VWLDVMNVLQZKEK-KRWDZBQOSA-N 446.529 2.061 30 10 IEEE C[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)N1CCN(C(=O)OC(C)(C)C)CC1 2124534451 IDVXIXLHORFGMS-BRWVUGGUSA-N 449.401 2.478 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243429771 IBMIDBDCTVUSHU-MMEWPQADSA-N 426.344 2.160 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)COC1 2247835660 OJBHCPLISITECR-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE Cn1cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255611036 QYSXFNCMXOWFNA-SFHVURJKSA-N 425.338 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620830 ZTMUMMJRFXFJPU-LSDHHAIUSA-N 434.346 2.275 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626989 MNDDQBHUBNCPBL-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](F)C1 2255655002 GRQRXMWOQUHRLQ-GJZGRUSLSA-N 437.321 2.391 30 10 IEEE C[C@H](COCC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2256604775 GBUQMPONWGHRDL-CQSZACIVSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256680739 AVFBQCZDLSYHIT-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256885788 DKVCLIHVCQLLPQ-CJNGLKHVSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267134493 QHAUMFXZLWDOGU-AWEZNQCLSA-N 448.373 2.332 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 2267136198 IULFVXNDHGHMOV-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267136204 IUTFQBRQLMVUPV-SQWLQELKSA-N 446.357 2.227 30 10 IEEE Cc1c(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267140006 NHZUDCGSRCHIDE-HOYKHHGWSA-N 436.365 2.032 30 10 IEEE CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267147194 SOGRVQPGYPDFGO-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 2267183532 NWFQUVFTWANXHQ-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@@H]2C1 2267282386 BZAVSNRKXMWGLC-ZBFHGGJFSA-N 448.325 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267481647 RRUFETCDIBQBFY-UHFFFAOYSA-N 443.353 2.320 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267505449 IUZVGOGNCIUZKW-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE Cc1c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525526 FTSUKZWICKWNHT-DEOSSOPVSA-N 438.381 2.422 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267551307 KTRWGGSNLDYZGA-GOEBONIOSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2268649317 CBOKJINVYOYESU-UHFFFAOYSA-N 449.332 2.272 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268655531 MYZAKFPFKVSUBP-KBXCAEBGSA-N 446.353 2.102 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)c1OC 2296615696 CFOVIXIDBJMZOK-IBGZPJMESA-N 442.516 2.037 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)n1C 2315590280 YFUMDTKYASBXOX-INIZCTEOSA-N 426.370 2.278 30 10 IEEE O=C(Oc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1)c1ccc(F)cc1 2318413858 YQJVQJYJTZKGON-UHFFFAOYSA-N 430.505 2.175 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337289372 IQBMVIPUJYUJKI-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)NCc1ccco1 20806806 ZBQAZKFOTGDETK-FOKLQQMPSA-N 437.485 2.298 30 10 IEEE CN(C(=O)Cn1ncc(Br)c(Br)c1=O)C1(C#N)CCCCC1 23558564 BTXWQXIERKJPJJ-UHFFFAOYSA-N 432.116 2.453 30 10 IEEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(Br)c3)n[nH]2)cn1 59310794 UGMQBQAQVYLSTH-UBKPWBPPSA-N 435.311 2.478 30 10 IEEE O=C(COC(=O)[C@@H]1CCCN1/C=C\C(=O)C(F)(F)F)Nc1ccc(F)c([N+](=O)[O-])c1 97212217 ZVBXXSJDXPYXDU-HWPRWLFBSA-N 433.314 2.325 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc(C)c1C 105546018 PLNMHBLRGRDZPF-UHFFFAOYSA-N 440.569 2.431 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 409502176 NQEPHMWDTFUUNN-DOTOQJQBSA-N 430.534 2.178 30 10 IEEE COc1cc(CN2CC[C@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2)cc(OC)c1 480686064 BCMBCZJHXWZLFY-SFHVURJKSA-N 433.505 2.408 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](COc3ccccc3)C2)CC1 484554380 FDMRKAFFFURJIF-NHCUHLMSSA-N 440.569 2.237 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C[C@H]3CCCO3)[C@H]3CCSC3)C2=O)cc1 504691950 ZADVFFBKFSBZIV-IPMKNSEASA-N 442.541 2.276 30 10 IEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)OC)CC1 508463141 DPLYAERZBNGSDS-UHFFFAOYSA-N 426.340 2.250 30 10 IEEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513785485 NGDSRSPKJZRTSM-KRWDZBQOSA-N 444.532 2.116 30 10 IEEE CC(C)c1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 533343218 FNBOWRDZAFDBSV-FQEVSTJZSA-N 443.569 2.428 30 10 IEEE N#CC1(c2ccc(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)ncn4)C3)cc2)CC1 538522666 IALFISAUVOLAQO-HXUWFJFHSA-N 432.528 2.267 30 10 IEEE CN([C@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 540069260 PETFAPVXFJRWRR-HNNXBMFYSA-N 426.267 2.307 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(C#N)ccc3C(C)=O)CC2)c1 544409640 ABAJOWODSHYKEY-UHFFFAOYSA-N 429.498 2.289 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 549267042 WYHIYSRWMGLATB-IBGZPJMESA-N 445.589 2.480 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(F)cc1 590972626 COTBNSBAQJQXBC-UHFFFAOYSA-N 425.460 2.206 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1cccc(C(F)(F)F)c1 608826505 AVRTYUZNJBYSJN-UHFFFAOYSA-N 443.450 2.226 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 685532701 OHFXQMZCAJTDDC-UHFFFAOYSA-N 439.520 2.455 30 10 IEEE C[C@H](/N=C1/S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1)c1cccs1 730728847 GLIXFYQPEAKQOH-PDXWTLFMSA-N 435.575 2.365 30 10 IEEE N#C[C@H]1CN(CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CCN1C1CC1 732666064 FXTQHMDJWGEJLZ-QHCPKHFHSA-N 443.551 2.392 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3cccc(OC)c3)n(C3CC3)c2=O)cn1 735069675 YJPSAZUJOZKKDA-UHFFFAOYSA-N 449.536 2.002 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(C#N)cn3C)cc2F)C[C@@H](C)O1 751730390 VXZSGWBUTAQEAM-GASCZTMLSA-N 428.464 2.123 30 10 IEEE O=C(O)C#CCNC(=O)Cn1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 757472718 ANGPKFFMWYNCJL-UHFFFAOYSA-N 444.447 2.448 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2Cl)C1 760303114 ZBZMISYVOSJBEF-WFASDCNBSA-N 437.953 2.211 30 10 IEEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 761038288 QFSDICJUJQBIHV-CRAIPNDOSA-N 429.521 2.362 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(Cc3ccccc3)c2=O)c1 763437564 YSSIFKNAGZGHKT-UHFFFAOYSA-N 440.528 2.438 30 10 IEEE Cc1cc([C@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)ccc1F 765375906 LVSQVLXGMAEIST-GOSISDBHSA-N 431.489 2.163 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOCC)[C@@H]1CCCO1 773051463 NALQUSJTACBNHG-CABCVRRESA-N 432.336 2.324 30 10 IEEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)CC1 777318120 XKVUUVQREIGDIQ-UHFFFAOYSA-N 432.933 2.472 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCN1C1CC1 777945703 PTUPAWGVQQTNQJ-YOEHRIQHSA-N 425.938 2.116 30 10 IEEE C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2O)CC1 780178625 ZOLKLEQLDCGEPM-WAIKUNEKSA-N 445.516 2.234 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 781391344 CEHNALIKRNYICZ-IBGZPJMESA-N 430.526 2.091 30 10 IEEE C[C@H](OC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C)C(=O)N(C)CCC#N 782396318 LHRZESJUSPXCMJ-FENNVDPPSA-N 437.537 2.389 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@H](OC)C(F)(F)F)C1=O 786688682 PYUSNBFQVQNCEX-KGLIPLIRSA-N 447.435 2.450 30 10 IEEE C#CCn1ccc(CN(CCOC)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1 788559310 QIBLAGSOHFBUIY-UHFFFAOYSA-N 428.417 2.074 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)n1 790104618 GQKRFAZQSNAQRL-UHFFFAOYSA-N 444.435 2.067 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 795067374 KDIFPNJDVWTMLH-UHFFFAOYSA-N 426.472 2.308 30 10 IEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)ccc1O 1083920234 VACLOILRUOJNTH-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(F)(F)F)c1 1132899638 NLMWOGRAENYYCB-QGZVFWFLSA-N 430.394 2.027 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1 1136543040 DAYKYCGDQBOCCH-UHFFFAOYSA-N 433.917 2.312 30 10 IEEE C[C@]1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)Oc2ccccc2NC1=O 1141569457 IWDOOZRNNRAUIW-HSZRJFAPSA-N 448.458 2.304 30 10 IEEE CC(C)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1(CO)CCCC1 1143901807 GGKNGZMZLHZKRF-QUCCMNQESA-N 426.517 2.457 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1144728861 ZUXBJSWMIVLNRL-IBGZPJMESA-N 449.511 2.173 30 10 IEEE C#C[C@@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1176833068 RDCYQZRPTNZZME-GOSISDBHSA-N 432.590 2.353 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CC[C@@H](COC)O3)n[nH]2)c1C 1178597807 JOWONZJDSGMYPB-DBVUQKKJSA-N 429.521 2.111 30 10 IEEE C[C@@](O)(CN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)C(F)(F)C(F)(F)F 1194326137 WRRJBCSCWJTINB-NTZNESFSSA-N 442.347 2.483 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1195464730 ZNZYJANDCSBZFL-MRXNPFEDSA-N 441.956 2.047 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1286317584 SHJDIRISQGCEPJ-UHFFFAOYSA-N 440.504 2.388 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286393661 RGLZQIQAIJKBHS-UYAOXDASSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1COCCO1 1286419380 VDQBUMWCPDROGA-OAQYLSRUSA-N 435.528 2.416 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1286426015 GREUKHACPIYSOU-LJQANCHMSA-N 442.523 2.483 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C 1286461341 RBBLNKVWBVPSKY-SFHVURJKSA-N 439.564 2.132 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC#C)CC1 1286501011 JNIDSZPXKXXQBG-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1286686608 BJGQSEITRIDHAT-SJORKVTESA-N 443.639 2.299 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1COCCO1 1286762823 NDEHIXVNLUXDIZ-LJQANCHMSA-N 429.521 2.148 30 10 IEEE COc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)NC1CCCC1 1289362986 ZDRJNXFJKBAFIV-UHFFFAOYSA-N 448.541 2.394 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1290968486 KRCZFROCDAMQLH-MRXNPFEDSA-N 435.322 2.494 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccc(Br)cn2)cc1 1299047067 DRTXFSMENAZIKA-KRWDZBQOSA-N 449.330 2.358 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1300412238 ZPPQNABVYOOCGT-AZUAARDMSA-N 444.557 2.180 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1300438258 JJPFKJWTJFVCSW-UHFFFAOYSA-N 431.544 2.035 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1300863139 JCNHFSWYYFSOGY-MOPGFXCFSA-N 447.580 2.331 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C 1300895932 CFJGIGVGUGJJES-UFYCRDLUSA-N 444.624 2.300 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1COCCO1 1302087033 ANFIVROQLVJIPO-INIZCTEOSA-N 428.512 2.328 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC 1303687769 RWBAPSYJWHXVJS-QAPCUYQASA-N 426.510 2.241 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2n1 1304007163 RNPNHCBTIGHRGU-GUDVDZBRSA-N 444.557 2.271 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)o1 1304324948 DVECLPCAWIBAGS-SFHVURJKSA-N 441.513 2.168 30 10 IEEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1308113919 IRBUMLYDWNQKCB-CPJSRVTESA-N 448.567 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1313250235 KJWVDFJARXKQQS-QFIPXVFZSA-N 430.505 2.357 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1316168161 BIZSGYQCDKJWHV-MOPGFXCFSA-N 434.585 2.100 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)C1 1316249764 AXKZIBSLWOLSPJ-FDDCHVKYSA-N 425.533 2.467 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)c1OC 1358417310 RBNARJIKOLKJOT-RBUKOAKNSA-N 439.468 2.422 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1358955347 KILVSJKADQMNRK-SFHVURJKSA-N 443.573 2.284 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1358973665 AGNJZVTVOMGMKF-IFMALSPDSA-N 444.543 2.445 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1359022723 KYMKQVUQWSEVGO-HXUWFJFHSA-N 448.527 2.346 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OC)C1 1359048543 UMYNSBXTIBQTHC-QGZVFWFLSA-N 433.965 2.453 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359129842 PCKZVZFHFGNMEZ-KRWDZBQOSA-N 443.504 2.196 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1359477850 HLBYGTWOMRUNFC-RDJZCZTQSA-N 445.568 2.472 30 10 IEEE O=C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](c2ccccc2)C1 1450230689 WTHQVLTULNXREC-LJQANCHMSA-N 425.510 2.438 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)ccc1F 1452887702 UMWQGFREQPZAFT-UHFFFAOYSA-N 426.510 2.484 30 10 IEEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1461445250 SWRKEVMRANIXCU-WNSKOXEYSA-N 449.515 2.273 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1464926668 QVGOJHHCASPUFY-RWNPKEDZSA-N 440.500 2.164 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)c1 1467836321 RAQXJYBTRPXJEK-DEYYWGMASA-N 440.363 2.482 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)n(-c2ccccc2)c1C 1473858420 MRSZAZDZTAOBFD-HTAPYJJXSA-N 426.542 2.271 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1494622212 LEZDXIFIJNKBBP-QGZVFWFLSA-N 430.578 2.249 30 10 IEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](F)COC 1503096922 XOEVAEGYXQUVCD-HXUWFJFHSA-N 430.528 2.383 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCO[C@@H]1CCOC1 1503477344 LKSOZWXMKHEBNK-HXUWFJFHSA-N 438.532 2.218 30 10 IEEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccn(C)n1 1503600408 UNBJGCFKOQOYFE-UHFFFAOYSA-N 432.532 2.341 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1504224575 BMENGKGDVFRMBJ-HXUWFJFHSA-N 447.536 2.091 30 10 IEEE COc1ccc(CCc2nnc(N3CCC(C)(C#N)CC3)n2CCCn2cnnn2)cc1 1504226167 NPQJRJHPJLWXHV-UHFFFAOYSA-N 435.536 2.279 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1504660391 RSHQXBJZAONRJK-BEFAXECRSA-N 438.488 2.240 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1505314458 DPAYYFAMEDSKFA-HTAPYJJXSA-N 444.486 2.112 30 10 IEEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1505325295 RCHFZQLWCYKRGY-MSOLQXFVSA-N 438.523 2.096 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507571213 SVAQSXJRVMFHEF-UHFFFAOYSA-N 431.562 2.051 30 10 IEEE C#CCCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507590934 GRNZZJZCAQBBSJ-UHFFFAOYSA-N 434.591 2.235 30 10 IEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC(=O)NC(C)(C)C)CC1 1507723748 SXZAYPRDXIIKIH-UHFFFAOYSA-N 433.560 2.486 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507786544 XWNWMOXHWTUNDB-GOEBONIOSA-N 437.342 2.392 30 10 IEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507948184 OIVVKMVBTUZTGR-TYPHKJRUSA-N 430.597 2.475 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1507954393 MSWUOMIGRMIHQR-ZWKOTPCHSA-N 445.593 2.042 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(cccc2OC)C1 1508093289 UOTZOXBCBHSQDU-UHFFFAOYSA-N 435.532 2.013 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCO[C@H]2C)C1 1508114497 DIPMVWXHFNSFHS-PRCFCKQXSA-N 444.532 2.284 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC2CCCCC2)C1 1508131568 MGBCWZLAVIEBDT-IBGZPJMESA-N 444.580 2.021 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1514507477 ZTJIFPHODFLMPO-LJQANCHMSA-N 447.547 2.126 30 10 IEEE CN(CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1517321988 AQRXNCYMBMQWFJ-CQSZACIVSA-N 442.417 2.219 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1520702434 VLXNVHWHRYJRFY-NRFANRHFSA-N 448.976 2.491 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccoc2)CCO1 1521121131 HPAIXOBRWOBDRC-QGZVFWFLSA-N 426.864 2.232 30 10 IEEE COc1cc2ncn(CCCC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)c(=O)c2cc1OC 1532954469 MZNVNIIVDBMBGG-GOSISDBHSA-N 432.480 2.349 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2=O)cc1Cl 1533681310 FAOOCOCFUZRCHV-IAGOWNOFSA-N 428.920 2.472 30 10 IEEE C=CCN(C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)[C@H]1CCS(=O)(=O)C1 1537473754 GRUUNXFRXZIIFZ-IPJJNNNSSA-N 432.542 2.237 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1539343674 OTPIYEMMQREVKT-MRXNPFEDSA-N 429.496 2.299 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nnc(C)s1 1539384762 OIRFPGLJJNUXHF-UHFFFAOYSA-N 427.509 2.403 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(C)cccc1C 1539416688 RSZWEHCQNUMBEZ-LJQANCHMSA-N 430.574 2.126 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540036451 NGFNVSNGGRUBHD-FQEVSTJZSA-N 437.548 2.358 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](F)COC)C1 1540889675 RQCLOYUJQIBJDV-GJZGRUSLSA-N 428.468 2.360 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CCc2ccccc2)C1 1541112038 DPMPIRMRSWRBFM-GIVPXCGWSA-N 435.576 2.390 30 10 IEEE CC(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1544094393 SMXZTMSXMNILBJ-IKGGRYGDSA-N 427.567 2.055 30 10 IEEE C#CCN(CC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OC(C)(C)C 1544831244 ULRCWOQGJRGXEH-UHFFFAOYSA-N 449.573 2.348 30 10 IEEE COc1nc(N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)ncc1Br 1545186782 MMSJXTVPISLWGC-QPJJXVBHSA-N 449.280 2.318 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCN(C(=O)CC#N)CC1 1545534967 XNNFGALUNGGLHF-LJQANCHMSA-N 439.516 2.188 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1545709269 YUJWCMPBBVOGSY-QGZVFWFLSA-N 438.580 2.474 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1552919840 GEKNSPYBVBJCEY-RTBURBONSA-N 429.546 2.399 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 1556453616 FKYNAXMYZZSZBC-HRCADAONSA-N 449.882 2.272 30 10 IEEE Cc1csc(NCCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1556944861 FFECRGRAPKTQGY-UHFFFAOYSA-N 435.575 2.279 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 1557740448 LTPIILVZMWYHSX-INIZCTEOSA-N 426.517 2.075 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)N=c3cc[nH]cc3)cc1)C2 1558675461 GCEGCJANRYAGLL-UHFFFAOYSA-N 439.522 2.018 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1 1569439347 VSZOBSBVJPEUEW-GOSISDBHSA-N 440.443 2.470 30 10 IEEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)C1 1570817249 UDHJWHKHJBQDEL-LBPRGKRZSA-N 446.310 2.027 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1c1ccc(Cl)cc1 1583087573 AZYHERVTRFEBJS-RBUKOAKNSA-N 425.872 2.357 30 10 IEEE C[C@@H]1C(=O)N(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C(=O)N1C 1585139161 ZWRGWUCULNXIOF-CYBMUJFWSA-N 437.481 2.216 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1587213096 LCXQJVZCERVLAL-UHFFFAOYSA-N 427.526 2.276 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1587809134 ZOBDYNTXAXIIJW-SFHVURJKSA-N 442.539 2.181 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1587878686 FCMYKKQNAJVONC-UHFFFAOYSA-N 449.563 2.068 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1csc(CC)n1 1588109877 QVRPFXVVFDXTAR-UHFFFAOYSA-N 429.513 2.061 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCc1ccccc1 1588138303 CEKVCADSXRFNTE-LJQANCHMSA-N 428.583 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(CC)C1 1588228612 HQGOXVHPXWKDJL-NRFANRHFSA-N 446.603 2.257 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1588314951 WBNPZCMYDFCCEJ-OAHLLOKOSA-N 440.529 2.021 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 1588848986 UESZZEGRNZYLGS-LJQANCHMSA-N 440.567 2.316 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1588994122 QJEXCBSSLKLOOL-FQEVSTJZSA-N 438.557 2.422 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1589506070 RDWQCNRHWDXXFD-WMZOPIPTSA-N 447.517 2.069 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCOC1 1594807743 YNASMVCGUCCDRT-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595411300 DSESWQMYUMQYPI-IERDGZPVSA-N 444.530 2.322 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1595569834 OSVWYAZDTOFKRP-UHFFFAOYSA-N 445.589 2.353 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1596978676 PTJDTQDMRKMJCG-SJORKVTESA-N 435.546 2.261 30 10 IEEE CCCC(O)(CCC)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1614416840 CGPFZDCNMNWLSJ-HNNXBMFYSA-N 430.509 2.066 30 10 IEEE CCOc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC)CC2)n1 1616495339 PXCNPMNZASGCPH-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1618851456 CGSDLDGDRJSIKW-LJQANCHMSA-N 440.573 2.255 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1621714766 CKIVUAVOXISTFJ-ZDUSSCGKSA-N 434.497 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1622300467 GZQKPXIXCGGPGB-UHFFFAOYSA-N 448.589 2.309 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc3ncnc(O)c23)cc1 1626004518 SBWZOCRZGQIOEP-ULJHMMPZSA-N 425.470 2.401 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1630560908 QBTGUFWJWNSBTG-GOSISDBHSA-N 436.597 2.036 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1C[C@H]1C1CCOCC1 1632362979 AVIQPLYCHPDNOS-HKUYNNGSSA-N 433.574 2.464 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 1639023133 GBHGGCJWXWLBFX-CQSZACIVSA-N 446.495 2.100 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)on1 1647490868 CTMIWQPHPOYMTD-CQSZACIVSA-N 440.481 2.205 30 10 IEEE C#CC[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1667569792 DIMFUBZLDSYCNN-GOSISDBHSA-N 446.573 2.185 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1689854486 AWLVQVYKCQNWDC-HXUWFJFHSA-N 443.555 2.071 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H]2CCOC2)CC1 1690113686 QKHGOXMWKRNXCF-MRXNPFEDSA-N 447.381 2.228 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1690166153 WMSUMMAHWQILDP-INIZCTEOSA-N 443.573 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C1 1690236182 JKCGVLQTHAAAHC-SNRMKQJTSA-N 431.562 2.390 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cnccn1 1690236994 UOOJWIIRKGEMQB-PXNSSMCTSA-N 448.531 2.376 30 10 IEEE C=CCn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1690653073 AWHSILACOLJIQK-MZKRTTBSSA-N 432.613 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690662862 FNHJIEAWSFYIDS-SFHVURJKSA-N 446.515 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CC(C)C 1690669005 PWXYREFRWRWSNS-UHFFFAOYSA-N 433.582 2.023 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1690670919 LWHZSITUZAQNDT-SFHVURJKSA-N 448.568 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)C(C)C)CC1 1690715053 BLZITMMJRXDPEC-INIZCTEOSA-N 425.599 2.133 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccccc2)C1 1690722217 BGBZZCOODIGYEQ-HXUWFJFHSA-N 441.557 2.462 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690749077 QJRBQXYDEOLTJV-FQEVSTJZSA-N 428.606 2.484 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CCO1 1698492303 AYPGLDWCSPYTGN-DLBZAZTESA-N 447.586 2.091 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705570750 QOLMTXWJRWJLQV-HZPDHXFCSA-N 442.676 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CC)CCCC2)CC1 1705644479 RQVAIDRYJBYTAM-UHFFFAOYSA-N 428.581 2.353 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1705674567 MCVVQBJLJNAZMW-XQBPLPMBSA-N 433.622 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1705697139 KLCQEHVQHMIRJX-AHRSYUTCSA-N 445.589 2.432 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705700584 VWTHAUBILOOKJE-MLHJIOFPSA-N 426.583 2.023 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1705716305 GMXQDIDGBSNJHX-MRXNPFEDSA-N 446.556 2.166 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705899078 HQIMRFQQIIMVFS-SFHVURJKSA-N 441.923 2.212 30 10 IEEE C=CCNC(=O)Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909497 ZECWJHZTBMITCX-LAUBAEHRSA-N 437.610 2.199 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)C1 1705914617 COPMYWBUTFZJSV-IAGOWNOFSA-N 448.593 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1705933887 UWTNDCHLRZYBSB-QGZVFWFLSA-N 445.589 2.155 30 10 IEEE Cc1nccc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CC2)n1 1707783162 LSVHPLITYMPQAZ-UHFFFAOYSA-N 432.532 2.404 30 10 IEEE CCOc1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)c1 1710548637 AWGGYTRTPBBECV-LJQANCHMSA-N 426.521 2.372 30 10 IEEE C[C@H]1CN(CCN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1712851871 SSPCBXFLYFVIFP-KSZLIROESA-N 428.537 2.230 30 10 IEEE N#Cc1ccc(CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCO)C2CC2)cc1 1712881257 OSEALJBEBHLAMG-IBGZPJMESA-N 443.573 2.383 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC[C@@H]2CCOC2)CCO1 1712886045 GTSFLYNHHXLUTM-ZWKOTPCHSA-N 445.495 2.168 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722367101 UZUGFNAGMKVTGH-HXUWFJFHSA-N 427.574 2.252 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC)cc2)CC1 1722431291 JDSBBEQGOVCLDQ-UHFFFAOYSA-N 445.527 2.128 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1722467240 PDACCVDSBAKRDS-AUUYWEPGSA-N 436.607 2.142 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@H]2C)CC1 1722580581 DSVVSRDBFKLZLN-NEWSRXKRSA-N 437.610 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722692995 APWUUNGLKGXYKG-KBXCAEBGSA-N 426.477 2.159 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NCCC)C1 1722715229 MSKZXFUHXAKHJQ-KRWDZBQOSA-N 427.505 2.371 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1724366709 DXXQRPWCCIBQCQ-QHCPKHFHSA-N 431.500 2.182 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1724625066 IHFBKGQHZFLOSK-FCQUAONHSA-N 445.527 2.444 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1726404907 XPRJDYZPYXUWCD-UHFFFAOYSA-N 445.531 2.322 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1727887698 DOMWMEKWGQTHAO-UHFFFAOYSA-N 432.532 2.484 30 10 IEEE CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1727989990 FUUUAPREJLWFNR-HWEPQYAMSA-N 444.536 2.051 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1730460260 AWMMVVUTYUDEFZ-ZACQAIPSSA-N 434.541 2.361 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1740534134 XFAONAUZBOSBAR-OLZOCXBDSA-N 429.468 2.413 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740578782 GHPKEFCMSJOAND-UHFFFAOYSA-N 426.521 2.002 30 10 IEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1740609246 HWANFJTVPRKYDA-WOJBJXKFSA-N 443.573 2.040 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)nn(-c2ccccc2)c1C 1740639023 PFUXSOLMUQMIJE-OAQYLSRUSA-N 427.512 2.153 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCSCC1 1740657408 RRTNRDIYMUFGIH-NRFANRHFSA-N 437.569 2.302 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCCN2CC)CC1 1740705731 LXMFPJALEHRFKM-NHCUHLMSSA-N 442.608 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCN1CCCS1(=O)=O 1740732536 HDMPSDBLHNJDKU-OAQYLSRUSA-N 431.537 2.036 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740755250 JHBDZVVVWHTYDF-MOPGFXCFSA-N 431.562 2.008 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1740800233 AGIYMWFSYXLTDL-UHFFFAOYSA-N 429.834 2.362 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNS(C)(=O)=O)CC1 1740837258 SBSPUPXXADXSAO-UHFFFAOYSA-N 447.561 2.058 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740956982 XPBDWPNEBRSWNU-QGZVFWFLSA-N 444.967 2.059 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)C1 1740973202 SLJISEKGSUQADJ-GJZGRUSLSA-N 425.580 2.088 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ncccc2N(C)C)CCOC1 1741125858 NXJVKYMPWIGXKX-JTSKRJEESA-N 427.553 2.424 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C(C)(C)C)no2)CCOC1 1741731586 JMYGJHCHSNEWSJ-VGOFRKELSA-N 444.536 2.381 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1743898028 SHQASZXOUCLMKH-CABCVRRESA-N 432.475 2.181 30 10 IEEE Cn1cc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)cn1 1748012501 CKILYZCXUCKEFR-QGZVFWFLSA-N 440.458 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1748661110 ANTSQGSDNMXIRS-CQSZACIVSA-N 431.422 2.267 30 10 IEEE COc1ccc(OC)c(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1748853827 FWFDHNFXZDGXFT-JTSKRJEESA-N 442.495 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(C)c1 1748864414 WQOGUVXXYTUJEH-MOPGFXCFSA-N 443.573 2.127 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748912796 IPLJICZEARSHJU-JOCHJYFZSA-N 433.553 2.257 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1748991458 XKRDRJGPQTWTLN-LJQANCHMSA-N 446.596 2.184 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCCOC(C)C)CC1 1748993971 SKNIDNVVYJJNMX-UHFFFAOYSA-N 435.576 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)CC1 1749009438 IVFOZDICDAXKLV-GOSISDBHSA-N 443.498 2.464 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(=O)OC)C1 1749664676 WNRPZSUQQSMEEY-ZDUSSCGKSA-N 448.321 2.009 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC=CCC1 1749725294 RDRNGVRARFMYRV-UHFFFAOYSA-N 448.545 2.338 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)C[C@@H]1O 1750336202 SBQHWJUZXRYBHU-WVBUVRCRSA-N 426.590 2.461 30 10 IEEE Cc1noc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CC2)n1 1751965446 CRJOWCPEYNQREH-UHFFFAOYSA-N 437.504 2.291 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185805 DVMSIQVHGHJYJB-OAQYLSRUSA-N 442.585 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@@H]1C 1760217367 ZMKXRVQLKQEKCX-NTKDMRAZSA-N 430.512 2.134 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(CCOC)no1 1760335882 RWUCLROFRADOMX-BEFAXECRSA-N 427.509 2.463 30 10 IEEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNS(C)(=O)=O)CC1 1760405117 SQPFULUOIYIKBO-UHFFFAOYSA-N 433.578 2.024 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1760437768 NOQABNKFHZOZTM-UHFFFAOYSA-N 435.532 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2ncccc2F)CC1 1760520780 ZMTZGRFUHWIZSA-UHFFFAOYSA-N 439.495 2.168 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nnc(C)s2)C1 1760549952 PDRNYDLSEPHFME-CQSZACIVSA-N 445.574 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(OC(C)C)CC1 1760556576 IKWYREZQPFPKEB-UHFFFAOYSA-N 433.578 2.259 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N1CCOCC1 1763744749 FDYDCPBYYDZGQD-OALUTQOASA-N 438.580 2.106 30 10 IEEE CCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1764398859 NWSIVLRVCLVEGS-JOCHJYFZSA-N 425.537 2.322 30 10 IEEE CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1765855954 ANOMGNOMZMGIBD-HYFFOGBASA-N 428.537 2.362 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1769474824 ABAIJAPYMMQGSM-SFHVURJKSA-N 440.504 2.044 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)cc1 1770080333 FBCAVTXMDOQQJS-KRWDZBQOSA-N 432.475 2.412 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772791536 AHHIGMUVPCYKIR-QGZVFWFLSA-N 448.522 2.149 30 10 IEEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cnc(N(C)C)c1Br 1849438427 ODKKXDWBZSULJH-UHFFFAOYSA-N 429.322 2.448 30 10 IEEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CS2 1852604738 KPGRWKUYXLNTQK-OAHLLOKOSA-N 429.933 2.148 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)C(=O)C12CCCC2 1854415931 RVTZDUSLDVFYQW-UHFFFAOYSA-N 429.420 2.156 30 10 IEEE COc1ccc(-n2nc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)c(O)cc2=O)cc1 1859651626 TXKKJGDWZCKMMY-UHFFFAOYSA-N 428.408 2.256 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccccc2OC)o1 1874432908 DEVMKPLVJBNTFO-LSHDLFTRSA-N 443.485 2.477 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc[nH]1 1874436194 QBGUSZZOJGXTCJ-BMYBCIMUSA-N 425.518 2.094 30 10 IEEE O=S(=O)(NCC#CCN1CCOCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F 1889436909 SVZBUNBQDCGZQE-UHFFFAOYSA-N 430.370 2.338 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)n2)cc1 1890010442 MNUPYSARHQJSJN-UZLBHIALSA-N 445.479 2.426 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1890843414 SLXGSLRZJKDHHL-IBGZPJMESA-N 437.993 2.297 30 10 IEEE C[C@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 1900439965 DVLFYBHDLPFMPX-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993453478 VJYWIVPHEBNYLH-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE C[C@@H](C#N)CS(=O)(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1994783665 LCZFLSLYNBBGHS-AWEZNQCLSA-N 448.586 2.264 30 10 IEEE C#CCOCCONS(=O)(=O)c1cc(Br)c(C)cc1Br 2150740756 ATQFXUWRICYDSA-UHFFFAOYSA-N 427.114 2.380 30 10 IEEE CC1(C)OB(c2ccc(N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)nc2)OC1(C)C 2224080352 OXGHALHWVPHNKI-CFVMTHIKSA-N 425.260 2.417 30 10 IEEE C=CCC1(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2250105067 PZNGPNGTCZFEKD-UHFFFAOYSA-N 439.553 2.240 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255650642 QJGMCXLPTKDOKX-ZDUSSCGKSA-N 436.362 2.141 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CC1 2255953878 PNOZOQOXQRJQKD-UHFFFAOYSA-N 432.326 2.479 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267093842 YIQFFOCPWPJNSC-LSDHHAIUSA-N 446.357 2.038 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127325 IHJOYXURNBBNFS-CABCVRRESA-N 448.373 2.237 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2267143143 DFKWYCKXWXVGSW-JLCFBVMHSA-N 448.373 2.332 30 10 IEEE Cn1ncc(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267197888 PUWBJMSYWSKLAH-DEOSSOPVSA-N 438.381 2.361 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267504431 RWBVBQSWOUJILP-MRXNPFEDSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267508068 ZFHYFKKWPAQXIP-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267531827 WBBZWGDUWLTUQS-MZBDJJRSSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267807411 KZWPDHSPZAZKLB-JOCQHMNTSA-N 448.325 2.183 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268646608 KLUWQOMKKYYCSI-NYHFZMIOSA-N 447.341 2.249 30 10 IEEE C[C@H](NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268652362 GMBHPCWTLJHRBI-MPGHIAIKSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268705023 FPIAFDCSFJSVHD-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CN(Cc1nncs1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282316147 YFXWZLYTTCFKKD-UHFFFAOYSA-N 435.789 2.373 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)n1 2337021546 FFGJFHVUQLZGJQ-QFIPXVFZSA-N 447.341 2.247 30 10 IEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337189720 FDACEJXCHICTFI-MSOLQXFVSA-N 438.381 2.454 30 10 IEEE C[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)CCS1(=O)=O 2377421166 ABFMDUBEGCWNDA-ZDUSSCGKSA-N 444.200 2.367 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccc3)n2N)cc1 20913942 WHPJNGBBXQXIBV-LPYMAVHISA-N 439.501 2.345 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4cc(OC)ccc4OC)CC3)cc2C1=O 30107246 WYGLGUXNUCCFFB-UHFFFAOYSA-N 449.507 2.444 30 10 IEEE O=C(C[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39843410 LLQAWIAPXJPDDY-RPJLVFAOSA-N 442.413 2.453 30 10 IEEE Cc1nsc(NC2CC2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 430875300 NIAAHTSGTZGGEP-UHFFFAOYSA-N 431.543 2.044 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1C(F)(F)F 435166602 SWISNICYJHEDFX-ZDUSSCGKSA-N 429.395 2.339 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC(=O)N2C)cc1 461305196 XHSAQJJGSMMWNH-NQIIRXRSSA-N 430.468 2.614 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482554926 IFFNJLZCRYFCNH-KGLIPLIRSA-N 427.551 2.140 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1C#N 489116502 WYIQQAXEBCTASZ-HNNXBMFYSA-N 448.570 2.161 30 10 IEEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491607652 PYBIPVBBSSTOTE-UHFFFAOYSA-N 436.562 2.139 30 10 IEEE C[C@H]1Oc2ccccc2N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 522866455 FZRGHNNEXNMPOX-RDTXWAMCSA-N 436.493 2.212 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4ccc5cc(C#N)ccc5n4)CC3)C2=O)n(C)n1 547444109 IKEJKENMMNXELJ-NRFANRHFSA-N 429.528 2.466 30 10 IEEE N#Cc1cnccc1N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 547826326 FTWYSJVNSNETAT-UHFFFAOYSA-N 435.347 2.312 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@@H]1CCCO1 553292276 KMYFENNNFNZIJU-KRWDZBQOSA-N 433.533 2.365 30 10 IEEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1F 559259459 YKRMKRUNPMMZBK-UHFFFAOYSA-N 433.358 2.450 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1C 564523617 CHUGMSQFTDDLTJ-UHFFFAOYSA-N 442.541 2.355 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 604531462 YJFAZPIWHMVBLJ-UHFFFAOYSA-N 439.493 2.275 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 609116280 HPUAHNGPGUALDD-GOSISDBHSA-N 435.528 2.174 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC)c3ccccc3OCC(=O)NC)cc2C1=O 614766712 KCTZBEZIZZRKNA-IBGZPJMESA-N 435.480 2.475 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CC2)n1 619852014 PXGIYJPRRJCWBA-LJQANCHMSA-N 446.515 2.121 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccs2)CC1 670322884 PMLYFSBGEHHBIJ-UHFFFAOYSA-N 437.573 2.183 30 10 IEEE O=C1N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CC#Cc1ccccc1Cl 676559901 OUFZCVGPEBHWKG-HXUWFJFHSA-N 432.860 2.455 30 10 IEEE COc1ccc(CNS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)cc1C#N 746680635 MIWBSUFUYRRWOR-UHFFFAOYSA-N 437.275 2.390 30 10 IEEE C=CCc1ccc(OCC(=O)NS(=O)(=O)c2cccc(-c3nnco3)c2)c(OC)c1 747309859 TUHQHHFCILEYPH-UHFFFAOYSA-N 429.454 2.358 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755574202 HOCCBLMRYRCRRZ-MRXNPFEDSA-N 433.452 2.392 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)CC1 796981522 GWTAGXIQQURANC-UAGQMJEPSA-N 449.529 2.380 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)CO)ccc1Cl 801973774 RUXFICFKGRAVAC-HXUWFJFHSA-N 438.933 2.194 30 10 IEEE CCN(CCC#N)S(=O)(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813744702 AGSDBQBXJSXIJG-UXHICEINSA-N 434.562 2.494 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCCC[C@@H]1OC 815926421 OIRDOVVGJJTXFI-WMZOPIPTSA-N 427.457 2.115 30 10 IEEE N#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(F)cc1 918556514 DHGUNBQLAUPZPG-WMZOPIPTSA-N 443.456 2.144 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cnc4ccc(F)cc4c3)CC2=O)cc1 1116790044 OCQZCNVERHHLEE-HNNXBMFYSA-N 438.440 2.104 30 10 IEEE C=CCN(C(=O)c1cc(Br)ncc1Br)[C@H]1CCS(=O)(=O)C1 1125953208 CBZQDGWDAHLUIB-VIFPVBQESA-N 438.141 2.422 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCc3ccccc3)CC2)s1 1136109396 XXKXZYODAONWPQ-UHFFFAOYSA-N 433.599 2.142 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2cc(C)cc(C)c2)s1 1138681423 QOIGGFNYWTWNLR-IBGZPJMESA-N 436.555 2.402 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)cc1 1141821112 JBPPCOVNSMZKEE-LTXLMFNASA-N 430.534 2.242 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1147810086 NBAXFCFPGJVURW-UHFFFAOYSA-N 427.457 2.430 30 10 IEEE COc1cc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc(NS(C)(=O)=O)c1OC 1155210635 SENRWRAPTLKFOX-UHFFFAOYSA-N 425.413 2.155 30 10 IEEE CCOc1ccc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)nn1 1196347850 HUVYWGGXMRZJQZ-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE C=C[C@H](CO)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1214794342 DAEWYPNPLSYSSZ-CQSZACIVSA-N 427.457 2.343 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286336395 RFTKECFCCZBKLC-UHFFFAOYSA-N 426.521 2.130 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1286368143 WHJWZUMSVMLSAN-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286442710 KAONRHTYIYABME-QUCCMNQESA-N 442.589 2.312 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1 1286463320 MFODFEOLBMRLQQ-LJQANCHMSA-N 438.561 2.293 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1286499010 CRJJFQWXMHTKSU-UHFFFAOYSA-N 443.573 2.052 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1 1286773792 SEGVDBXNKACFIQ-GDBMZVCRSA-N 439.607 2.388 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1286823140 KRNNRBBPUVNDEV-LJQANCHMSA-N 437.472 2.039 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CCO1 1287066871 SVPSKCRPQHDQJU-GOSISDBHSA-N 442.520 2.473 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1300305281 TXDWDSRTWXGEJH-PBNKOMEISA-N 438.557 2.044 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCCC1 1300663564 FESOLKZOJJADKD-SFTDATJTSA-N 436.560 2.152 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(C)CC(F)(F)F)CC1 1300691253 REKZOSZQPIGBRP-UHFFFAOYSA-N 436.482 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOCC(F)F)CC1 1300723261 QSGZYGGZZUOVLH-QGZVFWFLSA-N 439.507 2.157 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCCCCC1=O 1300813666 OUGCFRDCAOFTLN-HSZRJFAPSA-N 426.565 2.185 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1300870255 RQOJOQHNAOKVCP-HKUYNNGSSA-N 432.546 2.170 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301492903 RFHIIFYVYWBKKF-MSOLQXFVSA-N 441.532 2.127 30 10 IEEE CCOC(=O)c1ccc(C#N)c(SCC(=O)N(CCC(N)=O)c2ccccc2OC)n1 1307287274 HMXBUAMRPWUCES-UHFFFAOYSA-N 442.497 2.139 30 10 IEEE Cc1cc(S(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)ccc1C#N 1309585207 BNNUSKGLLKNBFC-UHFFFAOYSA-N 426.542 2.043 30 10 IEEE CNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2C#N)CC1 1315052116 KEFYVJHEQPRQRG-UHFFFAOYSA-N 435.557 2.265 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCSCCCO 1315330615 ZSUKVHKFDDZGHD-OAHLLOKOSA-N 437.953 2.451 30 10 IEEE N#Cc1ccc(COC(=O)[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]45)[C@H]32)nc1 1327648659 RUTGHXWWJWCDQF-YAIJSEKYSA-N 439.471 2.476 30 10 IEEE N#Cc1ccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cn1 1352670522 LBMJTPALOMNLPT-LSCVHKIXSA-N 436.449 2.077 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1358934434 BJJWFDMYOUJDMN-QFIPXVFZSA-N 425.489 2.310 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358935040 UZMUJCXFRGXKHM-UHFFFAOYSA-N 445.589 2.359 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(CCC)CC1 1358982446 XHDKWORPXRQXLD-UHFFFAOYSA-N 438.601 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC)CC1 1359043849 LFPNRFVHXLIESZ-UHFFFAOYSA-N 447.543 2.133 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359313348 KNGBJMZSWIHTOU-AEFFLSMTSA-N 433.578 2.463 30 10 IEEE Cc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1447869132 RVIVKFFWZBQCHI-UHFFFAOYSA-N 429.414 2.440 30 10 IEEE COC(=O)[C@H](C)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1451386975 RWFQLRRFYPLADR-CQSZACIVSA-N 429.498 2.421 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3C(=O)OC(C)(C)C)ccc2c1=O 1453393938 XZWFTACTPPOFDZ-INIZCTEOSA-N 431.514 2.054 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CCOCC2)c1 1453584233 WRAGRYAVKRASSN-UHFFFAOYSA-N 449.479 2.327 30 10 IEEE Cc1c(C#N)c(=O)n(CCOc2c(Br)cccc2Br)c(=O)n1C 1459205138 FMJSHHDUPSRSKD-UHFFFAOYSA-N 443.095 2.331 30 10 IEEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1463551534 IUVMYFAHUZYKSO-UHFFFAOYSA-N 439.356 2.395 30 10 IEEE C#CCN(C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882364 ZXISNLVKVGADPN-UHFFFAOYSA-N 439.516 2.046 30 10 IEEE Cc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492797102 SJVYAHGMHPQFJN-XDOYNYLZSA-N 434.500 2.212 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1503651313 VDIRUXXUYXBAOV-UWJYYQICSA-N 448.522 2.165 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1504026921 FNCGVUSPIZTCHO-ZQMYSKGWSA-N 441.532 2.274 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2nnc(C)s2)cc1 1504202191 DUINIJUPJXQTDX-KRWDZBQOSA-N 425.518 2.475 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507622679 LADREJWWNNFNBY-INIZCTEOSA-N 435.619 2.464 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)N(C)C)c1 1507623309 VCNVQUKBMDAELM-PMACEKPBSA-N 425.533 2.016 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507631055 BBFTTZDIDIYCDS-PKOBYXMFSA-N 432.521 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(SC)cc1 1507660222 OOQIQVHCMIJINR-KRWDZBQOSA-N 445.614 2.316 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCCO1 1507680757 MPGZELWLTKNRIO-NRFANRHFSA-N 431.562 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1507708861 OBQLLPFAGQRFIB-UHFFFAOYSA-N 435.475 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1507739196 AQFBIYSPEREMLA-UHFFFAOYSA-N 444.580 2.063 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1507756546 ZTYXQPKDGNLWGH-PGRDOPGGSA-N 425.558 2.348 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1507835625 IAIXKEMGTTZXNB-UHFFFAOYSA-N 444.580 2.088 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1507848033 UCNKVYIKFOMBAI-VQTJNVASSA-N 430.553 2.117 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC(OCC)C1 1507970884 MXDMVWPCRGHORG-UHFFFAOYSA-N 448.593 2.099 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2)C1 1508109762 NRZVHXSDNGHCSY-PBHICJAKSA-N 439.969 2.371 30 10 IEEE C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1510034800 QBGJLLHEHPJFTG-YWZLYKJASA-N 429.456 2.016 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1513645365 SYEBNYFLWHAPJM-YBQMXPOVSA-N 449.490 2.476 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCc2nc(C)cs2)CCOC1 1516234668 ZBDRMBLVUXSVDR-UWJYYQICSA-N 446.577 2.447 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1516607007 BUWARMIPWXNQGZ-SJORKVTESA-N 446.552 2.333 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC[C@@H]2CCCO2)CCO1 1521136112 BWIOEQQEDSRTBE-LEWJYISDSA-N 425.533 2.378 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F 1531180831 GZTCTMSOYXIHSS-UHFFFAOYSA-N 448.310 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1C 1538982369 FBNYHJVKDUWCBC-JENIJYKNSA-N 445.589 2.326 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCN1CC 1539190373 IUBUAJQUNOMIKM-QHCPKHFHSA-N 435.620 2.197 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1539370430 CCGCARRCCHCRAP-JKSUJKDBSA-N 425.505 2.031 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(Br)n2)CC1 1539447521 TZLSYDQKZIDGQY-QGZVFWFLSA-N 445.365 2.481 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N(C)C2CC2)CC1 1539451897 DLUJUCZJLKYBOS-KRWDZBQOSA-N 428.531 2.385 30 10 IEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1539580008 GGIBEIZAPZAUFK-UHFFFAOYSA-N 435.326 2.324 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1 1539615984 MWTOVNBHAMYTIS-TVFCKZIOSA-N 425.599 2.496 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1539650332 OHVMCFIBJVWYEU-MRXNPFEDSA-N 431.566 2.341 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1540550433 PUOIWJJCOFBELF-MOPGFXCFSA-N 434.512 2.464 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1540864996 REJWRRRCZRZBHA-HOCLYGCPSA-N 426.546 2.162 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 1540867094 KGRVGOOPNGICSB-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2COC)C1 1540881523 LMDGKSGQPGCSSY-FQEVSTJZSA-N 425.533 2.490 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1540919966 JYYGDCCLSRWIMC-UHFFFAOYSA-N 448.618 2.151 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCN1CCOCC1 1541362518 PWGUPPCIGNOTRI-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)c(F)c1 1543709894 IKECAIJMHADIIW-OAQYLSRUSA-N 437.519 2.326 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O 1545251150 BNQVWYVWUDEJGA-HRAATJIYSA-N 433.578 2.485 30 10 IEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CC(C)C 1548371051 IASQJIYPNZJOGK-GOSISDBHSA-N 440.466 2.403 30 10 IEEE CO[C@@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C 1554672347 LPSUBBCJIJQNJB-MHORFTMASA-N 448.568 2.449 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1555328248 IKDQWVUDXWVGJV-MRXNPFEDSA-N 446.414 2.458 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@@H](c2ccccc2)C1 1557033213 UOWSPOBOOGURTH-HXUWFJFHSA-N 440.569 2.459 30 10 IEEE C#CCOc1ccccc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1567740923 JIFDVUVAAOBYQP-MDZRGWNJSA-N 448.541 2.307 30 10 IEEE C#C[C@@H](NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)c1ccc(Br)cc1 1583566519 WKQDLVXDNUEKGC-QGZVFWFLSA-N 440.297 2.436 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1587783829 YXEDDAPWFTZPFX-NQIIRXRSSA-N 425.581 2.100 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1588041207 VUZKRGMTWQIYMZ-OALUTQOASA-N 445.589 2.205 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588045746 PWQXADKSNGEMJW-IBGZPJMESA-N 439.516 2.349 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588045802 QZTDFXBFPYNGDF-INIZCTEOSA-N 432.521 2.016 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN(C)C(C)C 1588129178 YUJCQUNGKMADJD-UHFFFAOYSA-N 445.571 2.478 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1594644927 HIRXHPDMMZCDES-UHFFFAOYSA-N 430.597 2.305 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)C1 1595674819 UXPMVLXVCQLTAX-QZTJIDSGSA-N 425.537 2.191 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1611625048 DVSQRHANDOZGOQ-VLIAUNLRSA-N 430.488 2.338 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)NC3CCCCC3)CC2=O)cc1Cl 1622923866 IGTUOPLBHAABGL-HNNXBMFYSA-N 431.924 2.313 30 10 IEEE Cc1csc(NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1C#N 1624564136 FRZKPLDBXWADEW-UHFFFAOYSA-N 432.527 2.322 30 10 IEEE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704753 SZHVDWDGSDQHAW-LJQANCHMSA-N 439.520 2.480 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCO1 1638836888 QDIHOPMAJHENOQ-JKSUJKDBSA-N 440.541 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](Nc3cc(C#N)c(Br)cn3)CC2=O)C1 1643279010 MVPBCWZZEMGIEF-GFCCVEGCSA-N 436.310 2.348 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1643765061 GDIQTRBFKQCZBK-DLBZAZTESA-N 427.471 2.298 30 10 IEEE CC(C)CN(C(=O)CN(CCC#N)CC(C)(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 1644669137 DSZTVRRBRHJYSC-UHFFFAOYSA-N 434.585 2.438 30 10 IEEE COc1ccc2cc(CN(C)C(=O)[C@H](C)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc2c1 1648500830 UEWFRIMTQNSPSE-ITSWEJNFSA-N 441.553 2.065 30 10 IEEE C=CCn1c(SC[C@@](O)(C(N)=O)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 1652469421 PABDFJUZAULJOL-GCJKJVERSA-N 438.509 2.442 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 1652713949 HBGNHNDHASOVCF-LJQANCHMSA-N 427.526 2.145 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1652905346 GITJOVHFEPPTSI-IRXDYDNUSA-N 428.537 2.027 30 10 IEEE O=C(Cc1nc2ncccn2n1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039696 SFVQWJIRNNPMMB-YUMQZZPRSA-N 429.271 2.296 30 10 IEEE N#Cc1cn(C2CN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)C2)c(=O)nc1O 1653759617 DRTWLNRLXXBZRL-UHFFFAOYSA-N 433.902 2.285 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OCC 1669267752 QQGHJTODPRGWNJ-GOSISDBHSA-N 436.534 2.267 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3cccc(Oc4ccc(F)cc4)n3)C[C@H]1CS(=O)(=O)C2 1683654087 ITQCUMDTZSVXEW-XOBRGWDASA-N 430.461 2.093 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1)C1CCOCC1 1687124093 QXVRSWMNRISVMO-NQIIRXRSSA-N 433.574 2.123 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCCCO1 1689951470 YYYIGJPVPUJQKO-GOSISDBHSA-N 431.562 2.224 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1689998556 PREPKMPXMTYQNM-QXAKKESOSA-N 446.573 2.465 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1690015233 FLBDULWBGFEGCU-QGZVFWFLSA-N 442.564 2.386 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCOCC1 1690067863 NLGYMGHGDFWJLR-SFHVURJKSA-N 425.533 2.144 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1690360937 BVZUSBWAQCHFFL-UHFFFAOYSA-N 428.512 2.071 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1690567489 FRAOBPXKNUKUAZ-OAHLLOKOSA-N 447.540 2.002 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1690601376 ZVWCNUSUFYBKEV-INIZCTEOSA-N 426.487 2.463 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1691003487 HTUQZXXIWJDMIL-FXAWDEMLSA-N 440.548 2.497 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1691003489 HTUQZXXIWJDMIL-XLIONFOSSA-N 440.548 2.497 30 10 IEEE CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1cccnc1 1692773577 DPTSGVYCENBRIS-APWZRJJASA-N 445.593 2.463 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1695356158 FHLBLEIURPRPOM-QUCCMNQESA-N 442.589 2.172 30 10 IEEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(=O)NC)C1 1705527502 ZQWNDNRQMYIGRY-NVXWUHKLSA-N 427.574 2.496 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCc1ccc(S(C)(=O)=O)cc1 1705594615 LYELYIQXHUDHOM-UHFFFAOYSA-N 433.537 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1705601770 VLDREXDXSAXRRY-LJQANCHMSA-N 426.542 2.063 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc(Cl)cn1 1705622979 BTFVGSGININWSN-UHFFFAOYSA-N 429.868 2.489 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705700582 VWTHAUBILOOKJE-BDXSIMOUSA-N 426.583 2.023 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705725176 MZBSMKHAEACBNP-OALUTQOASA-N 430.597 2.318 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1705760105 AIAPPOLQBDLBHV-UTKZUKDTSA-N 439.988 2.372 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1705831901 GWZPFQVZPPMCEV-GOSISDBHSA-N 431.512 2.110 30 10 IEEE CC(C)OCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1706696760 CURXSDOALALQQZ-UHFFFAOYSA-N 426.521 2.260 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1706750955 CHJHWEURQCRFQU-JLHGSKIFSA-N 447.584 2.155 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1710376160 LOCIIAQEDRWVHP-LJQANCHMSA-N 439.520 2.058 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccn2)nnc1N1CCC(F)(F)CC1 1712913102 UIVCUBOAVWPKCP-VLGSPTGOSA-N 429.431 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1722291101 CDKWCBJLOHXGMY-IRXDYDNUSA-N 432.569 2.329 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@]2(O)CCSC2)c1 1722309187 KEHMMUBWZITEES-JOCHJYFZSA-N 425.558 2.470 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722557651 YQKOKJGDHIBVJU-MRXNPFEDSA-N 430.944 2.165 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722706828 ZAKBHSOHKAWSAX-OXQOHEQNSA-N 441.532 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722724312 SZFDVVGUQAHDPY-HKUYNNGSSA-N 445.589 2.088 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCOC(C)(C)C 1723615202 MSMJQZRERNIXDZ-UHFFFAOYSA-N 439.564 2.430 30 10 IEEE Cc1nc(CCn2c(N(C)C[C@@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n[nH]1 1725489468 BCDPMVXUCQBCDW-CWRNSKLLSA-N 443.556 2.314 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1729284281 PZSIVYUVRYUEFV-LJQANCHMSA-N 428.562 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1740545067 NQLWTKAUSHIFRM-AEFFLSMTSA-N 425.562 2.272 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740616191 VOJNLKTZTOVBKN-PGRDOPGGSA-N 448.564 2.249 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)c1cc(C)oc1C 1740629711 XBGFJWLVNNGVBZ-HSZRJFAPSA-N 425.533 2.387 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)Cc1ccccc1 1740661343 YSZYWMXQGHEFJQ-GMAHTHKFSA-N 449.555 2.124 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CC1 1740839569 LDQOXSNGHZAPGQ-CQSZACIVSA-N 426.493 2.223 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1740935127 CERHOMXVSXBPGR-LJQANCHMSA-N 440.573 2.197 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(=C)CC1 1740959533 YXIGDJSCMXXPQC-UHFFFAOYSA-N 433.516 2.134 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2)C1 1740979446 FGFSNNOKBPDYTJ-HKUYNNGSSA-N 432.546 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(N(C)C)CCSC2)C1 1740981942 RIMWRBMLNSXTLU-SIKLNZKXSA-N 428.606 2.483 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740997900 FHKZDYLLFGBQPK-OAHLLOKOSA-N 430.534 2.238 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOCc2ccccc2)CCOC1 1741731074 FYKJFBJNKJOIOB-NFBKMPQASA-N 441.532 2.264 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1746405527 ALQYTJUDODROFE-LJQANCHMSA-N 430.578 2.172 30 10 IEEE CN(C(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1747518527 GIZFBZVLBFPRSU-GOSISDBHSA-N 428.562 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN(CCC)C(=O)OC(C)(C)C 1748856303 YKJDVLMAMZKZPL-UHFFFAOYSA-N 442.564 2.120 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1cccc(C)c1 1748962155 BCGICHFXLQYKQI-UYAOXDASSA-N 430.574 2.378 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C(C)C)N2CCCC2)CC1 1748971450 PZROXEOCEZFRIR-OAQYLSRUSA-N 443.640 2.072 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@@H]1CCOC1 1749051348 FRCSBQCHTMKOEE-FDDCHVKYSA-N 438.532 2.361 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749414519 FTGTWFPSAKPTSG-QGZVFWFLSA-N 434.522 2.338 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1)C1CC1 1749518232 YXVGDQFKWQIACZ-ZDUSSCGKSA-N 436.442 2.305 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C(F)(F)C12CCC2 1749599658 IBRMTIOPKIEHCD-GJZGRUSLSA-N 430.521 2.254 30 10 IEEE C=CCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749643535 UIKIJUJKWQVQHY-QXSJWSMHSA-N 441.598 2.493 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1749705196 GPLNEORTOJMKLM-IRLDBZIGSA-N 439.608 2.395 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCCCN2CCC[C@@H]2CO)c1 1750381260 NFTMETYINASEIC-JOCHJYFZSA-N 438.576 2.262 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CCOCC1 1750759680 FKUFMCNQLIYDCN-FQEVSTJZSA-N 425.533 2.468 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cc(C(C)(C)C)no1 1751224364 PCYRSPSSFQXYOH-XOBRGWDASA-N 449.581 2.352 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCNC(=O)c2occc2C)c1 1760124777 BBQYZXMNOMWOBU-UHFFFAOYSA-N 434.500 2.364 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 1760155068 OZNCMRKILOCXOL-FQEVSTJZSA-N 443.573 2.193 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(CN2CCOCC2)CCCCC1 1760177912 RHCSIQTXBGEFQH-UHFFFAOYSA-N 439.608 2.492 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760188740 CSOQLSORCQTEKG-PXNSSMCTSA-N 434.587 2.126 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nccs1 1760201801 JODYGXBACZATAV-UHFFFAOYSA-N 429.509 2.253 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CCC(C)C)CC2)CC1 1760259343 KUIIZGWAGBSXQR-JOCHJYFZSA-N 428.625 2.295 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1760260354 PNGSIWOIFGHMFS-ICSRJNTNSA-N 425.581 2.275 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCC(C)CC2)CC1 1760268350 QGPHGLQGJSPZIZ-UHFFFAOYSA-N 435.576 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)NC2CCCCC2)CC1 1760271817 NEWXZCMQDYQRMW-UHFFFAOYSA-N 440.592 2.035 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1760287268 MBOXQRYTZLCQPN-SJLPKXTDSA-N 429.594 2.483 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1760324330 JTDIRUOGWOTNKS-FVJLSDCUSA-N 441.532 2.159 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760350010 NIZPMRUGKXNPOY-OXJNMPFZSA-N 443.621 2.199 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC(OCC)C2)CC1 1760391666 MRIFWBKAYIKJJQ-UHFFFAOYSA-N 431.562 2.356 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1760396958 LWRXNTAFJZDVJW-NRFANRHFSA-N 438.594 2.298 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760432186 GRGUNYSWMDOHHM-CABCVRRESA-N 440.595 2.197 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1760494993 BYYZLYKIOADAMY-QGZVFWFLSA-N 432.546 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760553691 YMODTWTWDOHANX-OXJNMPFZSA-N 441.557 2.421 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNC(=O)C(C)C)o1 1761760097 YOHIBZUAMJYEIW-GOSISDBHSA-N 425.537 2.185 30 10 IEEE CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1762349713 GPFIORBFPGYRTD-QGZVFWFLSA-N 435.536 2.005 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnn(CCOC)c1 1763740393 CCUKQHJJQKEYEB-SFHVURJKSA-N 449.563 2.276 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1767575929 OJHSXSYODIXAMI-WMZOPIPTSA-N 432.532 2.094 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1767917597 UPZNGSLCTBSDQO-SZVBFZGTSA-N 425.489 2.153 30 10 IEEE CCOCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1ccc(C#N)o1 1767946716 MZRACHANAWKUJM-UHFFFAOYSA-N 430.406 2.350 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1768130425 AAEBSFRPRUXXHL-HKUYNNGSSA-N 440.504 2.041 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCCCN1CCOCC1 1768634682 UTMQZTDZHPPRCP-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1768879731 JGGXGSSTSXYWNJ-GOSISDBHSA-N 431.562 2.240 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769193956 IVGAICKUNQHWMI-FUHWJXTLSA-N 440.552 2.179 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CCCCCCO)cc1 1770733379 ZZPNFJWSMNRHEF-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE CN1CCN(c2nc(NC(=O)Cc3cn4cc(Cl)ccc4n3)c(C#N)cc2C#N)CC1 1851137441 MYAIPVYDWBTRCX-UHFFFAOYSA-N 434.891 2.059 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c(Cl)c1 1851336773 VUUAHPZTCKQHBH-INIZCTEOSA-N 436.965 2.064 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851529956 GWPSTFQFOMBTMJ-AWEZNQCLSA-N 431.436 2.214 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2noc(C3CCOCC3)n2)cc1 1852761650 WWMSNMFYERFBON-HXUWFJFHSA-N 428.489 2.132 30 10 IEEE C=CCN1CC[C@@H](N2CCN(C(=O)CN(C)c3nc4c(Cl)cccc4s3)C(=O)C2)C1 1853697845 MELZCPHZFWRHOS-OAHLLOKOSA-N 447.992 2.317 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C1CCN(C)CC1 1854749776 IHCIDBVUNAKIQD-UHFFFAOYSA-N 431.558 2.197 30 10 IEEE CCC[C@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 1855469944 IDQWWPWNNCLPAB-MSOLQXFVSA-N 435.521 2.472 30 10 IEEE COc1ccc2nc(N3CC(C(=O)N4CCN([C@H](C)CCC#N)CC4=O)C3)sc2c1 1856407594 IONNQOZYQFKYRR-CQSZACIVSA-N 427.530 2.104 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)cc1 1857389566 ZRVQNRYEGXPRCP-UHFFFAOYSA-N 425.510 2.225 30 10 IEEE C[C@H]1Cc2ncn(CCC(=O)N3CCN(Cc4ccc(C#N)s4)CC3=O)c2C[C@@H]1C 1857508460 WNKDHNBZCQEAFL-HOTGVXAUSA-N 425.558 2.448 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cc(C)ccc2C)cc1 1858643878 JCQMGIMPAJBIIE-UHFFFAOYSA-N 431.514 2.173 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862704843 KDSATNBENSYXOE-RNODOKPDSA-N 425.437 2.426 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c(O)c1 1862751859 RLNPOAXPKOPAHN-SFHVURJKSA-N 427.413 2.146 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CSCCO 1870234770 KKVGFMSSXUUBDW-UHFFFAOYSA-N 428.595 2.312 30 10 IEEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN(CCO)CCO 1870330817 QMIVMUTYITZDPC-UHFFFAOYSA-N 440.581 2.327 30 10 IEEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(CC)CC2)cc1=O 1870563704 LOVGZNLIXZTORA-QFIPXVFZSA-N 429.948 2.385 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN1CCOCC1 1870647117 RBYXWARDFIANRP-UHFFFAOYSA-N 425.485 2.087 30 10 IEEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)co2)no1 1891622990 GQQIZWAPMJQGAG-UHFFFAOYSA-N 435.444 2.231 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900466073 AMUZJLHDIUHMDW-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C=CCC1(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2010223700 CXOCNKGMZXVNPL-OAHLLOKOSA-N 439.553 2.286 30 10 IEEE C=CCC1(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2010226424 AIHCHHFLENDFAO-HOTGVXAUSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2011920426 RXWVKRHQZURESG-PMPSAXMXSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060636912 DNGJRKRSIYVTBV-DLBZAZTESA-N 432.326 2.295 30 10 IEEE Cn1nc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cc1NC(=O)OC(C)(C)C 2124532707 LSLVLDJEEFKRND-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2174787600 VWXPRVPTABUCEK-LJQANCHMSA-N 429.498 2.183 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194174978 OBFPUOGLQGYDAE-ZBEGNZNMSA-N 446.176 2.430 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247881490 YZLFWYZGHYYDIC-CQSZACIVSA-N 440.371 2.177 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247986683 YSQJHZPECVZMNI-HRCADAONSA-N 442.387 2.349 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2255540278 LDSQRFXPBOPVQR-GJZGRUSLSA-N 429.326 2.215 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255631280 WKLUFEKDSOUENO-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2255695322 CSTZOSNDLYCTRC-QRQCRPRQSA-N 429.326 2.120 30 10 IEEE CC(C)[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255699101 VEUCOUNCAVFZQO-HNNXBMFYSA-N 434.346 2.055 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)[nH][nH]1 2256618293 PLBHYJCISBVKHR-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]12 2256620397 HYSLBAUUVKGOLF-QRQYBIJMSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256665478 MBFADVLFPXDFPN-VVLHAWIVSA-N 434.342 2.457 30 10 IEEE C=CCCC1(C(=O)NCc2nnc(Br)n2C)CN(C(=O)OC(C)(C)C)C1 2266282661 ZHQYDPBHRZXYBB-UHFFFAOYSA-N 428.331 2.397 30 10 IEEE CCN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267011640 IQQIARSBQDXWIA-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1ncc(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)c1B1OC(C)(C)C(C)(C)O1 2267015837 UJYUEYNHXDLBLA-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)CC2 2267099414 KKVLZXQSYCBKGE-GJZGRUSLSA-N 446.357 2.323 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267143215 FGJQAPQEUHQQFH-DZGCQCFKSA-N 448.373 2.378 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2267144666 AFVMKNILLJIIHK-YZGWKJHDSA-N 436.365 2.349 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 2267149883 RBNVOIFDLCNCCY-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE Cn1ncc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2267512266 FFPKZSHCLXCOGB-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2267518022 BVPLUNDDZNYMPW-CQSZACIVSA-N 446.357 2.228 30 10 IEEE O=C(C=CCN1CCOCC1)N1CCC(C#Cc2cc(Nc3ccccn3)ncn2)CC1 2296582086 JVZVATXLPULJSQ-UHFFFAOYSA-N 432.528 2.094 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203050 RXLGASFMMJHIJC-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337286647 BKJCSNWEKDGILG-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)cc1 20528346 GZXCMRIBCRRICE-SRZZPIQSSA-N 427.490 2.273 30 10 IEEE COc1ccc(OC)c(CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C2CC2)c1 29720889 YBOCFPUDBPVGLX-UHFFFAOYSA-N 439.516 2.185 30 10 IEEE CNC(=O)c1ccccc1C#CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 96348666 VUANEHKPSZXBDY-UHFFFAOYSA-N 439.537 2.002 30 10 IEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1 96579134 QMWKRSPAMNCOIE-ZDUSSCGKSA-N 431.470 2.494 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)cc1OC 103111071 SPZRAXXXIHUDLE-GOBJLOIFSA-N 442.468 2.051 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)cc2)nc1 434008171 KXAMDLVHVSFXLA-SFHVURJKSA-N 426.498 2.386 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCn2nc(O)c3ccccc3c2=O)CC1 438618255 HJLOJHLUQFGCRV-UHFFFAOYSA-N 433.468 2.265 30 10 IEEE C[C@H](CC(=O)c1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 463346294 RTRWMDJSQHFWDM-MRXNPFEDSA-N 443.500 2.439 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1CCN(c2ccccc2)CC1 472778579 NVEDREYMMHXWNL-UHFFFAOYSA-N 443.511 2.419 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 477287436 PDVGDIHKSCCNOB-ZHRRBRCNSA-N 425.510 2.273 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)NC(=O)NCC(F)(F)F 477933576 DKTWLOCQWRZTED-CYBMUJFWSA-N 448.515 2.361 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 508739891 MTLPVUMDRHCXHT-INIZCTEOSA-N 434.504 2.489 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508868608 WBTZBTZKOYJIEF-LJQANCHMSA-N 425.533 2.161 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508947226 WKRWOLHAPPNIKM-KRWDZBQOSA-N 435.594 2.032 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 510457170 PYJCDNTTXGYSKL-YQQQUEKLSA-N 429.521 2.376 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1-c1ccccc1C 514479500 CPSMADUHHZTILT-UHFFFAOYSA-N 443.450 2.475 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC1 522317817 BZYWGRWITYSHER-JOCHJYFZSA-N 427.593 2.089 30 10 IEEE CSc1nc(O)c(C(=O)N(C)CC(=O)Nc2ccc(Br)cn2)cc1C#N 524047535 GOBAHKIOGIOTST-UHFFFAOYSA-N 436.291 2.249 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)O)s3)CC2)ccc1Cl 525876511 VPJIJUNCXPAGFI-UHFFFAOYSA-N 425.919 2.478 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 534861187 VZLDFWJKGOLHGV-VHKYSDTDSA-N 446.960 2.440 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1 542350523 WBGMRWCGQDFHDS-IBGZPJMESA-N 443.529 2.205 30 10 IEEE CCOc1cccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cc(C#N)cs3)c2=O)n1 544084141 NHWUPJHSCIJXGE-UHFFFAOYSA-N 437.546 2.273 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)CC2)n1 544831889 MOZGYXYLQYVUBW-GOSISDBHSA-N 441.944 2.471 30 10 IEEE Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548369918 CRGBHNYSHSNJAW-UHFFFAOYSA-N 440.323 2.298 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NC3CCCCC3)cc21 586313374 JQCUQOFSDOGXMC-JGVYIQDASA-N 432.542 2.367 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 609229663 HWUPFGVVIASVHK-UHFFFAOYSA-N 431.489 2.423 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 609632397 PGIQQRPBMHFKDV-UHFFFAOYSA-N 433.917 2.432 30 10 IEEE Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 611645001 XKOOJBQQALZYBK-GOSISDBHSA-N 426.498 2.238 30 10 IEEE CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1=O 619843288 RZMFURVXNXDUDU-SFHVURJKSA-N 440.887 2.466 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCCO2)C1 619850022 IGWOOEQVRBFYDA-DYESRHJHSA-N 426.500 2.073 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCCO2)c1=O 679755473 SYKHRHZPYOLXDT-OAHLLOKOSA-N 444.578 2.421 30 10 IEEE Cc1cccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 726403003 VDJWUXRTKDPRQA-GOSISDBHSA-N 437.525 2.289 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795364 DBSASZDDZMOOQR-UHFFFAOYSA-N 436.537 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)OCc2cc(Cl)ccc2OCC#N)C(=O)C1 741374961 WXQRDRPGJILBOK-UHFFFAOYSA-N 437.880 2.365 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 742278645 QDNHDIHVWLUZQG-UHFFFAOYSA-N 438.259 2.256 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 742484607 JJWUKYLQITXFMS-OAQYLSRUSA-N 425.554 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 769195816 CMDIDHACSOUKNY-LAFOYAEKSA-N 440.500 2.164 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)cc1 780693025 YQIBYZOTGGFFBA-VWLOTQADSA-N 448.523 2.288 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCCn2ccnn2)C1=O)NCC(F)(F)F 783057721 VQJDLIIICVAPEF-LBPRGKRZSA-N 446.480 2.430 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@@H](C)c2ccncc2OC)C1=O 783512001 ZDSLCWYXISQKTD-BLLLJJGKSA-N 429.502 2.323 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)CC2)c1C#N 788106556 NHYNTFQJZBGIPQ-CRAIPNDOSA-N 445.568 2.077 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 802556762 ZADJBOSYBISUEG-SFHVURJKSA-N 426.521 2.243 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCO1 802687276 PJMSONVTVSPQJW-RTBURBONSA-N 438.532 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1C[C@@H]1CCCO1 812251091 MPASASHAJGKVDW-HKUYNNGSSA-N 443.573 2.367 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)c1ccc(F)cc1 812748599 WAYIEMBTYBHEIP-GOSISDBHSA-N 434.489 2.392 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccc(Br)cc2F)n1 1116840343 XPOBKAQJTZFDLS-UHFFFAOYSA-N 444.326 2.396 30 10 IEEE C#Cc1cccc(CNC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1129715286 SNWFANCBPAQBOS-UHFFFAOYSA-N 448.548 2.454 30 10 IEEE C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1)C(=O)OC 1141994956 DIKZPTFEPGVYFG-YOEHRIQHSA-N 435.318 2.291 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)n(C)c1 1167477120 DSRSKJSNZSPESW-UHFFFAOYSA-N 429.546 2.342 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 1168922963 RIQOAYWKCRGVHP-KTKRTIGZSA-N 427.501 2.072 30 10 IEEE COc1ccc(C#N)cc1CN1CCN(c2ncc(I)cn2)CC1 1175148813 OYWNYCAOOMJGRQ-UHFFFAOYSA-N 435.269 2.284 30 10 IEEE C#CC1(F)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)C1 1176294856 VOHAHYRNHMOCPK-UHFFFAOYSA-N 430.457 2.446 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc3nc(O)[nH]c23)CC1 1178540274 TYPSCAWICNCGMV-MRXNPFEDSA-N 427.505 2.224 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1193812042 NVJFZEBYQQULMQ-HNNXBMFYSA-N 436.555 2.088 30 10 IEEE CONC(=O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 1197553066 NVGDUFMCKYNHBZ-UHFFFAOYSA-N 427.480 2.433 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388305 NCDAWDKFSNJBBB-ICSRJNTNSA-N 444.557 2.005 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1286395649 SKJJXWLNHGRPJT-IAGOWNOFSA-N 447.561 2.054 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1286443658 KLJLGNFMLNECMH-RTWAWAEBSA-N 436.560 2.071 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN(C)CCCOC)CC1 1286475075 WOTSHZYEOPEKBC-UHFFFAOYSA-N 448.974 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1286487324 MVSWYAREDIFDBN-DYESRHJHSA-N 437.544 2.345 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286537491 DFJONEQFJLGQQL-ZIAGYGMSSA-N 439.358 2.023 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)OC)CC1 1286613272 WEILBSLXXUWTJP-UHFFFAOYSA-N 447.561 2.252 30 10 IEEE C=CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1286834427 DVZMIRQCKHWPEB-JBYIUTFZSA-N 449.621 2.485 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1286966085 PRCGYOKEVMXDQA-XOBRGWDASA-N 431.566 2.039 30 10 IEEE CC(C)NC(=O)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286971581 KCNMMZARLQJWQM-HRCADAONSA-N 433.557 2.169 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1288964806 HIVVGAQLWOSPQL-CVEARBPZSA-N 444.511 2.448 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1290537389 BBXXJWUWAJHQOM-UHFFFAOYSA-N 445.487 2.425 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(C(C)=O)CC1 1292032426 BOWSUHLIGCEOMN-UHFFFAOYSA-N 429.569 2.195 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)s1 1292486508 AENAPUXWSMOVRT-UHFFFAOYSA-N 447.582 2.307 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1295653806 QGJXYTSRWFRIIJ-XDOYNYLZSA-N 446.515 2.232 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297222521 BHPJHGKBFCNVTA-DVSFIDLUSA-N 446.552 2.125 30 10 IEEE Cc1c(Br)cnc(O)c1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1297334027 HSNVHKSRWGCTLL-HNNXBMFYSA-N 429.274 2.261 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1297662444 IKAWMTVOUUYORZ-HNNXBMFYSA-N 428.518 2.036 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300298640 FNIJTXPETAJXRX-UXHICEINSA-N 430.560 2.404 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300348813 QKCMQLKFXOUYHK-LJQANCHMSA-N 431.562 2.275 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)CN1CCCC1 1300471617 IYDOIROBYRQDEC-QHCPKHFHSA-N 449.647 2.444 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1300579595 XFNLPSDJTGVDCE-HBMCJLEFSA-N 445.633 2.011 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300887707 GCYBFCINQHAXEW-GHTZIAJQSA-N 441.580 2.202 30 10 IEEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1301047460 HYFIHPAFJQHPHJ-UHFFFAOYSA-N 428.924 2.398 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 1301054911 AYIQJKPUDOBCMQ-UHFFFAOYSA-N 449.939 2.350 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1301295211 VZADVXXYJNVJHS-JKSUJKDBSA-N 441.598 2.305 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301491655 MRVWICHUYWTXGX-HXUWFJFHSA-N 449.559 2.274 30 10 IEEE N#CC[C@H](NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C(F)(F)F 1303849974 YLGLZALHIWWODK-NSHDSACASA-N 428.230 2.078 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1303985567 XARQLPVWYNXUES-VQIMIIECSA-N 448.321 2.242 30 10 IEEE Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1304307551 NMERRZNWVVYAMT-LZICOFPGSA-N 440.504 2.377 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)nn1 1310682320 WCJATOOTGXKZPQ-UHFFFAOYSA-N 427.490 2.123 30 10 IEEE C=CCC1(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCCC1 1312688426 HLSPTFVLONBJRL-UHFFFAOYSA-N 435.546 2.266 30 10 IEEE CCN(C)Cc1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1313571753 GFHWUQIXDZSHEH-GOSISDBHSA-N 445.575 2.463 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CC1 1315000532 DAJFDWNCJLQONE-UHFFFAOYSA-N 432.532 2.178 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C1OCCO1 1316101532 LZWSZPVLEQUELX-SFHVURJKSA-N 427.505 2.242 30 10 IEEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1358919618 GLLWEGSICBAUPJ-HNNXBMFYSA-N 436.607 2.481 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1358931862 QUZGTAFBXXRTLC-UHFFFAOYSA-N 445.527 2.219 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1358932098 YFWHDPRNWNYOAD-OAQYLSRUSA-N 449.603 2.200 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](CC(C)C)N(C)C 1358941320 FNQFNJVKKVMVCI-IBGZPJMESA-N 446.621 2.241 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1359037677 SNBVHRUCPUCHDI-UHFFFAOYSA-N 448.596 2.436 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1359271383 SMGZGUVRWDMZHM-QGZVFWFLSA-N 441.623 2.077 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359297173 HZJLSZXKQBOTRC-UHFFFAOYSA-N 444.511 2.444 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1360106483 DVXNMBXQPMGVAO-JOCHJYFZSA-N 437.592 2.458 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(C#N)o1 1360653624 RDLSAKKXFGDVGE-LBPRGKRZSA-N 449.924 2.086 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc4ncc(Br)cn4n3)C2)nc1 1456064984 PVFVQKIPAZHAPZ-CQSZACIVSA-N 426.278 2.475 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCCc2ccccc21 1456271079 WQJGIUDYTKWDPR-QFIPXVFZSA-N 439.537 2.463 30 10 IEEE C#CCOc1cccc(Cl)c1CNC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1462130998 ORJSWHRETIMLQD-UHFFFAOYSA-N 448.928 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 1462720844 KDGGWDZBGNDBON-GOSISDBHSA-N 447.557 2.396 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](NC2CCOCC2)C1 1464864205 GAJQGEMZCOERHT-INIZCTEOSA-N 428.352 2.242 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c1 1469583360 VNQZNJFNQSVIRW-ROUUACIJSA-N 447.557 2.164 30 10 IEEE COC(=O)c1ncoc1CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1469884235 DGUFCCOBPZDHGG-UHFFFAOYSA-N 434.456 2.004 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1470700296 GOOSDKBLFPQPIL-LJQANCHMSA-N 449.573 2.385 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OCC 1475306452 ZPOYOVHJIXNDAR-SNVBAGLBSA-N 440.337 2.473 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3ccc(OCc4ccccc4F)cc3)C2)c(=O)nc1O 1478383961 HAYUYYZVJSWFPV-UHFFFAOYSA-N 449.442 2.305 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1492249807 DGHGODIPZWJRNR-FGZHOGPDSA-N 439.495 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1507535650 GNOYURABNSGVAS-LSDHHAIUSA-N 437.516 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CCCO 1507664128 HGHLWDAJOUERSD-IBGZPJMESA-N 426.952 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCCO 1507666812 GKUHCNXBICUOOI-UHFFFAOYSA-N 432.528 2.208 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1507765959 WSKSTDRMGUTUIB-BBTUJRGHSA-N 436.626 2.145 30 10 IEEE C=CCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1508066373 POFHHRSKUFPDQW-HSZRJFAPSA-N 432.613 2.111 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1508100652 MRQIIMRUIRTXSF-OAQYLSRUSA-N 425.533 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2ccnc2C)C1 1508110429 SNTQZGJIEJRHGV-GOSISDBHSA-N 436.520 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)cc1F 1508142158 QVWXGQPHVPINNJ-OAHLLOKOSA-N 426.489 2.297 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508161233 YRIBMRHNKNRTLP-MOPGFXCFSA-N 448.637 2.182 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1CCCn1cnnn1 1508418237 JYTBPIBUGMDGBY-ZDUSSCGKSA-N 430.314 2.380 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1508421299 UMTBZKXCDZNPJC-QGZVFWFLSA-N 432.532 2.050 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCOC[C@@H]3C)CC2)c1C#N 1511661202 CSEUMCVCYOEJLD-PKOBYXMFSA-N 440.596 2.389 30 10 IEEE N#Cc1cc(Cl)ncc1NC(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1 1520005028 ZBTSKDCFJYBNKE-INIZCTEOSA-N 427.892 2.318 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2Cc2cccc(Br)n2)C1 1521062872 KQYLHPGWPYVNJQ-KRWDZBQOSA-N 429.257 2.383 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 1525698517 GPRFZMRTEWEZGB-UHFFFAOYSA-N 433.530 2.170 30 10 IEEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n2ccccc12 1526082944 VKVQAXPXOQKGNI-UHFFFAOYSA-N 440.529 2.201 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1530439032 DJHRUECKNSRGGU-UHFFFAOYSA-N 446.916 2.221 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)cs1 1538982747 JDUGUGHFCCRDIV-OAHLLOKOSA-N 444.586 2.467 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1539005098 PHGHTYBLIYIQDI-HOCLYGCPSA-N 427.505 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1539409336 XPTNXUWSNGPYPJ-INIZCTEOSA-N 431.541 2.020 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCOCC(=C)C)CC1 1539484266 JKSVSVIUMRCRCK-UHFFFAOYSA-N 427.574 2.489 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539526440 JWCQRIYUJSQYJW-KRWDZBQOSA-N 434.587 2.155 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1539752095 BQQDMDFKGTUUQI-UHFFFAOYSA-N 427.549 2.433 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1540867743 GCSMCAJWRHKNNP-FQEVSTJZSA-N 431.544 2.353 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CCN1CCOC(C)(C)C1 1540899868 CSOIJRVPDAEBHR-UHFFFAOYSA-N 447.605 2.093 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3ccc(Br)cc3)CC2=O)cn1 1543289414 UZNKSBDYFZHNFD-WMLDXEAASA-N 446.305 2.026 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3ccc(I)cn3)CC2)c1C#N 1544881413 DHLLJGHXFOEZAF-UHFFFAOYSA-N 439.282 2.285 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1546829089 YJQRJHQPNZXBCW-INIZCTEOSA-N 436.520 2.324 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C(F)(F)F 1555946690 WRAZDLXMONHOLQ-YHCMSDNUSA-N 449.437 2.434 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2ncsc2C1 1557142526 IDYYUNHHOWDXOX-BBRMVZONSA-N 432.571 2.414 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(-c4cnc[nH]4)cc3)C2=O)cc1 1557201831 DFZAJXPPPRDALM-LJQANCHMSA-N 428.452 2.470 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 1557438307 QDSPGDYOPYTWRS-YJBOKZPZSA-N 435.509 2.184 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCN(CCC#N)CC3)c(O)c2)c1 1557980264 DJTPNLZVXUUJRJ-UHFFFAOYSA-N 438.484 2.333 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1583418621 RRNKCHDGIMEXHJ-UHFFFAOYSA-N 438.509 2.289 30 10 IEEE Cc1nsc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1C#N 1583527229 WIOKUHSMWZAZHT-ZDUSSCGKSA-N 449.514 2.295 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)C2=O)cc1 1584786907 DVBSDNBNDBPNQL-INIZCTEOSA-N 447.417 2.158 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1 1585691832 CUUKLFNPJPNSKY-JTSKRJEESA-N 447.557 2.118 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cc(F)cc(C#N)c3)CS(=O)(=O)[C@@H]2C1 1587331145 YYAKZRBABUFUIX-KBRIMQKVSA-N 437.493 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC(C)C 1587575317 SQSPZXAYWPRSQB-INIZCTEOSA-N 441.561 2.121 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)c2)c1 1587855637 LMXSTMKFXFDMNN-VXKWHMMOSA-N 442.475 2.241 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1588055483 WKUBQEMGKVKSOP-OAHLLOKOSA-N 448.618 2.370 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1588233216 DJSQTWYHEMISHV-INIZCTEOSA-N 448.495 2.000 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCCC2)CC1 1588871453 DOUSKKICSIHEHU-UHFFFAOYSA-N 438.576 2.107 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](NC(=O)CC)C1 1589303988 CAKOKOAEKDSYBF-GJZGRUSLSA-N 444.374 2.406 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589513653 AXEYXQRQZFRXSP-HBMCJLEFSA-N 425.533 2.268 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1593746696 LCNDSLSVJMMRFZ-APWZRJJASA-N 427.505 2.050 30 10 IEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1593865077 AFRMXMNPWCBIQJ-HNAYVOBHSA-N 431.972 2.405 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2nnn(C)n2)CC1 1594035108 CLNNHLMSOCHXIT-UHFFFAOYSA-N 445.325 2.444 30 10 IEEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594692992 MKRQVBJYPVGIAN-GOSISDBHSA-N 431.504 2.315 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1594798008 LRPCBSNUSWRBFA-QFBILLFUSA-N 441.532 2.270 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595461453 VVOBYGWRTIUSHV-GJZGRUSLSA-N 431.459 2.083 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595650231 ZHWUNGWXWIAPHD-XMSQKQJNSA-N 438.576 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1cccs1)C1CC1 1595753820 IQZFWVUWOHXWLD-UHFFFAOYSA-N 449.602 2.345 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCO3)c1 1608325665 AMHBXJBWBKPCLD-UHFFFAOYSA-N 438.465 2.278 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1611462077 GFGKEWNWUJGHPT-IBGZPJMESA-N 440.548 2.420 30 10 IEEE Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)no1 1611945108 DNZKPXHDVYJCFG-HXUWFJFHSA-N 438.488 2.467 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1613478332 IECKECFTADSQIN-UXHICEINSA-N 443.573 2.374 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1617605970 BXQHUBFALCBYME-IBGZPJMESA-N 426.521 2.212 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1619985016 JGCNLALISRHJET-JKSUJKDBSA-N 425.493 2.242 30 10 IEEE Cn1nnc(CN(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)n1 1620568868 RZMWTGAAHVXQOA-UHFFFAOYSA-N 437.238 2.356 30 10 IEEE CCC1(CC)CNC(=O)[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1620612530 HKLPKSQUKUVPLV-IERDGZPVSA-N 441.576 2.250 30 10 IEEE CNC(=O)C1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1623699691 MBGXCQIJIZVGOW-LJQANCHMSA-N 426.517 2.377 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)nn1 1624489476 OKUCYYRKEHUPJP-LJQANCHMSA-N 440.504 2.278 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C\CN2CCOCC2)c1 1625037179 VCRGVAGDQXOHDX-COMIYZEMSA-N 434.562 2.107 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)n[nH]2)c1C 1626362061 WTZYCPJQJSWOEX-UHFFFAOYSA-N 432.531 2.256 30 10 IEEE Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1630544033 ONUANSPWBOXUJN-NUJGCVRESA-N 433.530 2.475 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2-c2cnn(C)c2)s1 1632255544 FIGJWZUEEOOVDS-UHFFFAOYSA-N 430.555 2.472 30 10 IEEE CN1CCN([C@H]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)CC1 1633563128 UTUADBPUAUNLNP-GBESFXJTSA-N 443.979 2.239 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C)cc2N2CCOCC2)s1 1635754750 ARWIJNZQFSFCPZ-UHFFFAOYSA-N 449.598 2.216 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 1641826579 IFNBTOQOHQJRGL-OAQYLSRUSA-N 434.464 2.329 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)C3)[C@@H]2C1 1650819248 KFFIXMQLNSFTGF-OLMNPRSZSA-N 444.463 2.352 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1665347275 MWOSEUYUHKDYKV-UHFFFAOYSA-N 435.546 2.252 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)NC(=O)OC(C)(C)C 1682021337 DURAVKIYAVMEAP-DAYGRLMNSA-N 429.521 2.260 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)CC1 1684423438 VLBXYHBSNNYYAJ-IBGZPJMESA-N 446.598 2.135 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(Cl)ccc2s1 1689945642 GVQXOAKENYYUKS-LLVKDONJSA-N 438.966 2.269 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCC[C@H]1C 1690104373 VCLGHWYTHKVRGP-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CCCO2)CC1 1690113188 CFAHTGOLXULHMT-IBGZPJMESA-N 433.354 2.360 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1690130266 CUDWONOHWJYNTN-UHFFFAOYSA-N 434.466 2.370 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cccnc2OCC)CC1 1690130696 MGZVOYMHSXTSLF-UHFFFAOYSA-N 446.555 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC([C@H]2CCOC2)CC1 1690722821 WSBAEAKADAOIDG-IBGZPJMESA-N 431.562 2.194 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cnc(C)s1 1690725101 FTRQQBNDPUCGFS-UHFFFAOYSA-N 432.575 2.266 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@@]2(CCCOC2)O1 1693782930 GHSZLFIVIWVWLQ-GAJHUEQPSA-N 438.532 2.069 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1695411356 XUBVCOYXCBRWKP-FQEVSTJZSA-N 437.548 2.086 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1705477632 QPKOMTJGAZZBMZ-WDEREUQCSA-N 435.497 2.475 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1705516432 BFKUQNVDQIDMSU-QGZVFWFLSA-N 443.529 2.455 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)CC1CC1 1705620016 JJRBYLWMIWZXTG-LJQANCHMSA-N 446.548 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=C)Cl)CC1 1705645436 UKSRIBVAEIRHFD-NRFANRHFSA-N 435.956 2.037 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC2CCCC2)CC1 1705647174 BURPQDAUCHIQSZ-LJQANCHMSA-N 426.565 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCc2nccs2)CC1 1705649100 KHZFPPJMDUDXFJ-UHFFFAOYSA-N 437.573 2.339 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705663050 UXMITFOAFMXREC-SFHVURJKSA-N 443.602 2.102 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1705874664 SXINWVQRGVLZJF-INIZCTEOSA-N 443.556 2.143 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705894991 QFLQMXQJUCWZKM-HZPDHXFCSA-N 443.577 2.338 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1706078168 UPEIOCUHSKSUTL-FUHWJXTLSA-N 435.507 2.343 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1706236383 GACMKYXSBGJTLP-HXUWFJFHSA-N 438.532 2.282 30 10 IEEE Cc1cccc(-c2nnc(N3CCSC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1707603559 CGMRSHHLSICVDF-LZICOFPGSA-N 439.545 2.117 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1coc(-c2ccccc2)n1 1712565715 GOADGLMCMBMMIQ-QFBILLFUSA-N 438.488 2.434 30 10 IEEE CON(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1712656179 VCINARAXEKVMGA-HDRCJFCASA-N 430.440 2.081 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712779541 TZUTXWUAKABGIV-WMLDXEAASA-N 435.575 2.415 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccco1)N1CCCC1 1722373176 FMUSIKUILIHBJI-YKSBVNFPSA-N 437.544 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(N(C)C)CCSC1 1722385684 JTLFHGFEHUMVPK-HSZRJFAPSA-N 439.585 2.376 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722385795 OYTAZSXYFYPUAI-HSALFYBXSA-N 439.560 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1722448544 ZCZWFWBITXCBTG-NRFANRHFSA-N 438.576 2.118 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1722456103 SFOGUXLMJKELTD-UHFFFAOYSA-N 425.587 2.485 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1722660550 YJNWGPYJGOAHSQ-SFHVURJKSA-N 428.512 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1722696798 BEERKALATMEEQP-QGZVFWFLSA-N 449.490 2.276 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(N(C)C)nc2)CCOC1 1722863247 IZTXBSTVDNOAER-HTAPYJJXSA-N 427.553 2.424 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1ccccc1F 1723599776 BLHWJOIELKFALW-QFIPXVFZSA-N 441.511 2.115 30 10 IEEE C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N)N(C)C 1723854520 RVCRLMOWQKLYPN-ZACQAIPSSA-N 435.573 2.275 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)C1 1724012836 ZYZRTVADEBEGCE-HXUWFJFHSA-N 428.562 2.343 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC[C@H]1C 1730408423 VBBZODWNBIKTNE-VQIMIIECSA-N 426.521 2.115 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1730825221 MNKMKTRWOWUFQA-QGZVFWFLSA-N 438.532 2.256 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1740540342 IVTCNOHORPCBDV-JPYJTQIMSA-N 436.585 2.483 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740757650 QOQSHZQYZJFGOD-GGPKGHCWSA-N 425.537 2.069 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1740900294 OTRFKZIOOIVKKF-KRWDZBQOSA-N 431.541 2.299 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740962957 URYTWXRGZTZFFY-HXUWFJFHSA-N 439.560 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1740976693 YXGLQEDYGGUABU-LJQANCHMSA-N 435.532 2.442 30 10 IEEE C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1741863606 BSRDDPJJWUVQLO-KKSFZXQISA-N 432.475 2.159 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1741980799 FMZAMWSBOHEWSX-HOTGVXAUSA-N 442.495 2.332 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1744050469 GKWWVQSOYHTOFY-HXUWFJFHSA-N 437.520 2.163 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCC2(F)F)CCOC1 1746733014 DINBFDNXPLPGPF-GPMSIDNRSA-N 425.480 2.484 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC(C)C)CC1 1748973001 URZMPAZJEIPVLU-UHFFFAOYSA-N 427.578 2.070 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1748991121 QSBJXFBYAVIXSM-SFTDATJTSA-N 428.625 2.438 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(COC)CCOCC2)CC1 1748992630 BOQPDCBMJAXAEE-UHFFFAOYSA-N 441.551 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2sc(C)nc2C)CC1 1749010149 OHNBDFMASOJRKK-GOSISDBHSA-N 442.589 2.260 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1749054211 PRXHQPQZZKJXGF-KSFYIVLOSA-N 436.520 2.381 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)C1 1749125804 YGEFFMUZRAUICM-HRAATJIYSA-N 441.532 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749126907 HTPZSJFDODFJJE-APWZRJJASA-N 448.593 2.115 30 10 IEEE COC[C@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC#N 1749350042 IOGZLQFGRBCRKY-UKRRQHHQSA-N 437.545 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](OC)C1 1749740258 SWBHHQWVEWSIBE-SFHVURJKSA-N 434.562 2.300 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1749910344 FLPPCRCNQYNVSY-RBUKOAKNSA-N 426.496 2.326 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(C)C 1750031005 UHCJDFVERIKRCJ-MSOLQXFVSA-N 442.568 2.425 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(N)=O)cc1 1750523991 GRQUCNOGZWFVKX-IPMKNSEASA-N 438.532 2.073 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncnn1C(C)(C)C 1760160384 BERPCBJJAYWJFF-UHFFFAOYSA-N 440.939 2.326 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760185455 XLEYJXSNDQDGIC-PXNSSMCTSA-N 427.574 2.055 30 10 IEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1760191104 ARNREKQAQPNKMR-IBGZPJMESA-N 446.573 2.137 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1 1760220334 ZJXIZUUIDUXVFA-IBGZPJMESA-N 426.542 2.031 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)SC 1760250200 XGXDEBFGWNZYDW-QGZVFWFLSA-N 429.594 2.290 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(COC)CCCC2)CC1 1760257046 NNGWUBQQDNWPLD-DEOSSOPVSA-N 445.608 2.282 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C)nc2)CC1 1760264593 ULKJOZXOIQKDQJ-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)C1CC1 1760479113 DNAIPJDBUVIPQP-UHFFFAOYSA-N 430.516 2.269 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC2(CCOCC2)C1 1760517515 OQCWKQFVALZJJY-UHFFFAOYSA-N 431.924 2.287 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1760523797 IAVVJRMFAPRNET-IBGZPJMESA-N 436.520 2.039 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)C1 1760546561 QRAZZHRSMLGNBD-RBBKRZOGSA-N 439.608 2.071 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2nccn2C1 1760698924 SNEYZDVFLQABBG-HOTGVXAUSA-N 438.561 2.325 30 10 IEEE Cc1cccc(O[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1761702388 HKGBFZCBKNHEDG-IRXDYDNUSA-N 446.577 2.404 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)C1 1763305500 WPNZOJFOAZFTIX-LJQANCHMSA-N 449.515 2.494 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1764562682 GHJTZMAKZNQUIR-OAHLLOKOSA-N 449.481 2.416 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3c(C)nn(C)c3C)n2Cc2ccc(C#N)o2)CCOC1 1765820126 CVICSBLCUVXJGH-JOCHJYFZSA-N 439.520 2.430 30 10 IEEE CN(C(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1766837558 GKJUUUQHZUGDBA-JOCHJYFZSA-N 425.512 2.497 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1767711886 XRRKZQSAHNGGFL-HYHOCUEZSA-N 436.516 2.477 30 10 IEEE COC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1769245962 AEIQOTGLSGVPBI-RXVVDRJESA-N 425.468 2.234 30 10 IEEE N#CC1(CNC(=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)CCOCC1 1849917174 WPGZTQXXBRVCIN-KRWDZBQOSA-N 427.423 2.395 30 10 IEEE Cc1cc(C(=O)c2cnc(N=CN(C)C)s2)cc(C)c1OC[C@@H]1CN(C)C(=O)CO1 1851179290 SMKKHUHIBULGGH-INIZCTEOSA-N 430.530 2.448 30 10 IEEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 1856095762 NCAIZUXKZGWWAS-SJORKVTESA-N 439.603 2.032 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc3c(c2)OCCO3)c1 1862704844 KDSATNBENSYXOE-XCLFUZPHSA-N 425.437 2.426 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc(F)cc2F)CC1 1866867235 NQQJXZZAZOZGHW-MSOLQXFVSA-N 448.495 2.419 30 10 IEEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870773081 UNVLBZJLOKJELH-UHFFFAOYSA-N 425.529 2.498 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(C(F)(F)F)n3)CC2)CC1 1889297154 HOWUMBQBZPEWGU-UHFFFAOYSA-N 438.494 2.363 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)CC1 1889405700 XGIIRDUYQROACE-VWLOTQADSA-N 439.600 2.417 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)CC1 1891246622 VENQEELBOKGELL-UHFFFAOYSA-N 446.523 2.385 30 10 IEEE C[C@@H](C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1)N(c1ccccc1)S(C)(=O)=O 1892109232 HALOQMIXOZAOTF-KRWDZBQOSA-N 441.557 2.235 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](N)C#CC1(S(C)(=O)=O)CC1 1902434363 YQDJUPLEKYJOHW-OALUTQOASA-N 436.574 2.395 30 10 IEEE CC1(C)OB(c2cncc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)c2)OC1(C)C 1951687401 HGJYNUAFVOICAG-SFHVURJKSA-N 426.278 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060624862 CUANADAXBBRTQB-CQSZACIVSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1cc(Br)ccc1C#N 2118200908 KEKJOSFFWOQISS-GOSISDBHSA-N 426.311 2.413 30 10 IEEE C#CCn1ncc(N[C@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162329765 LMLRXZPTXCHRKJ-STQMWFEESA-N 441.326 2.123 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(O)[C@@H](N)C#Cc1ccccc1Br 2227479104 YAEWRPUPKWCNHC-FCEWJHQRSA-N 425.323 2.173 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247777866 SSQCOXCZRVGATK-BETUJISGSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CC1 2247831853 FRIIOVIULJINJW-CQSZACIVSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247907869 JTOBAHPLAUVUJJ-OPAMFIHVSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2247920431 YIMWRHQBRBPJEX-UHFFFAOYSA-N 437.371 2.477 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620153 WUEQUDLBNLVDSB-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)Nc1ncc(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)s1 2255620797 ZPBGQFVQPNBECS-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255882705 TYKDDQXNKOGANX-GDBMZVCRSA-N 431.342 2.414 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267014460 YZTILHRPDZKWLK-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE CN(Cc1n[nH]c(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)n1)C(=O)OC(C)(C)C 2267279137 FVGQKDGGNKHNGF-UHFFFAOYSA-N 447.301 2.316 30 10 IEEE CC1(C)CN(Cc2ccccc2)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267588706 POZXWTXVNWNZNL-LJQANCHMSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2267597883 XRGRLQBGOWVZSO-IRXDYDNUSA-N 443.353 2.224 30 10 IEEE CC[C@@]1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267881302 YUSTXOSWZXLSDG-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2271950789 AOYFZPFZYNMTHQ-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE COc1[nH]c(=N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317502027 UEHLKKOOEYJZDK-OAHLLOKOSA-N 431.342 2.399 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2320115747 MIFCXSPGTGLRIT-UHFFFAOYSA-N 438.349 2.444 30 10 IEEE Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2320572716 BSAPBJQBRIXPPU-MOPGFXCFSA-N 432.370 2.364 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2ccc(OC)c(O)c2Br)c1 2323374697 XMXAKASCBIUSEL-UHFFFAOYSA-N 445.291 2.493 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2329260352 KKNOZJXQOIKWPF-UHFFFAOYSA-N 426.458 2.245 30 10 IEEE C#CCn1/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)sc2c(OC)ccc(OC)c21 10619429 PMXYVNPHQZIXCB-DQRAZIAOSA-N 444.534 2.396 30 10 IEEE CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1(C#N)CCCCC1 11243105 HLOLJDAYKHVNKL-UHFFFAOYSA-N 447.557 2.315 30 10 IEEE Cc1c(C(=O)OC(C)C)sc2ncn([C@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c12 16893183 UIUCUGFSUZRBJR-LLVKDONJSA-N 428.474 2.137 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)cc2C1=O 31526871 VLNJGZRIXFODEV-UHFFFAOYSA-N 447.491 2.198 30 10 IEEE CC(C)c1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444355 MNYHRZGILNLOEN-QZTJIDSGSA-N 449.511 2.460 30 10 IEEE CC(/C=C\c1ccccc1)=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@@H](O)COC(C)C 254812649 QLASWBIWAKJUKD-YBMMMMAGSA-N 440.504 2.123 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 303064486 MTOVUHJEIUMLSE-UHFFFAOYSA-N 429.436 2.470 30 10 IEEE COc1c(F)cc(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1S(N)(=O)=O 436360038 FOOHFNKVGDEFCT-AEFFLSMTSA-N 431.489 2.323 30 10 IEEE CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 443329949 IYFPEBKMSLFOHU-UHFFFAOYSA-N 446.573 2.492 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 461894930 QWNDXYAPZODNTR-OXQOHEQNSA-N 427.526 2.070 30 10 IEEE COC(=O)[C@@](C)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 463439403 ASGBDWDKFAROOA-GCJKJVERSA-N 444.532 2.274 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCn3c(nnc3-c3cccnc3)C2)c1 481498962 LGSDJRAZTUDIOT-UHFFFAOYSA-N 445.302 2.179 30 10 IEEE N#C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CC1 505921870 CDFJXPHNCCDGKC-XJKSGUPXSA-N 426.336 2.268 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1c1cccnc1 510382766 AHHAFIGJWGAOKE-OXJNMPFZSA-N 446.467 2.069 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)c(F)c1 511376441 GUYPWXLGGVKMDZ-UHFFFAOYSA-N 443.500 2.395 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 520334301 AJRUBLRMWFGAKU-QZTJIDSGSA-N 437.456 2.201 30 10 IEEE Cc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 526883839 AAZXZIMRWFAORS-IEMHXGKNSA-N 437.572 2.230 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 534916011 CQCGUHNUGBABAZ-AWEZNQCLSA-N 449.479 2.325 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 540603748 NSAHAWZQFXTSOK-AWEZNQCLSA-N 434.522 2.167 30 10 IEEE CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1cn(C)nn1 543846730 QIYSKEGXSSEBGQ-QGZVFWFLSA-N 425.537 2.007 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cc1 572923584 DKHUTADQOLMAIC-UHFFFAOYSA-N 437.543 2.076 30 10 IEEE C=CCN(CC=C)C(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 586096305 PVCSDVMVFQWFSO-UHFFFAOYSA-N 438.528 2.437 30 10 IEEE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862831 CWHGFJBBZJAOOE-OAQYLSRUSA-N 428.508 2.343 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(F)cc1 603785951 BPAXSXYXGJBZNK-UHFFFAOYSA-N 441.434 2.098 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)c(Cl)c1 727416591 USCMYMQGJVGZHH-UHFFFAOYSA-N 431.876 2.314 30 10 IEEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730137770 IEUXTHWIUWDQRF-MOPGFXCFSA-N 432.590 2.427 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CCN1C1CC1 732706814 RPKDAIBRZSGTDM-LLVKDONJSA-N 430.358 2.027 30 10 IEEE C[C@H]1NC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)=NN(c2ccccc2)C1=O 733253081 FWFQVRQASGPOAQ-WBMJQRKESA-N 426.274 2.468 30 10 IEEE N#C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(F)cc1 733620657 BLJMXHQBAKSAHG-GOSISDBHSA-N 426.473 2.368 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(C#N)nc2)ccc1C 734601434 FOHYTNBRUWJXAL-OAHLLOKOSA-N 444.513 2.476 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 744782213 YPGIDGQOUKQTTJ-QMTMVMCOSA-N 441.575 2.277 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1C#N 747497456 BOBCPZDZZGLMLS-UHFFFAOYSA-N 429.436 2.469 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)ncn1 756867642 ILJVIRBTLRFHFF-GOSISDBHSA-N 444.536 2.124 30 10 IEEE C[C@H]1CCCN1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 769866959 XPQSSFDLEXXEGQ-ZJYNUGOYSA-N 428.580 2.421 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)NCc2ncccc2S(C)(=O)=O)ccc1OC 787222753 SXKGHSOWXVJDKF-OAHLLOKOSA-N 432.502 2.174 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 793003888 GTPJGVSWOSHBCZ-JFVSRZABSA-N 446.813 2.218 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCS(=O)(=O)C1 800735224 QKJMZYBFWDWDEJ-IUODEOHRSA-N 427.320 2.105 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 809893390 ORRNNFDFVJRGOU-JLHGSKIFSA-N 449.552 2.157 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1C[C@@H]1CCCO1 812304610 QOFOJMHQGZJYFI-IBGZPJMESA-N 443.573 2.368 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2C[C@H]2CCCCO2)CC1 812443583 VKNZTIGKZPDTLB-IFMALSPDSA-N 449.555 2.489 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@@H]2CCNC(=O)CC2)cc1 815421254 JSABKJQYBVSYJV-INIZCTEOSA-N 438.484 2.372 30 10 IEEE N#Cc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ncon3)cc2)ccc1Br 821618534 KNUNQYQTXYJZTB-UHFFFAOYSA-N 433.243 2.489 30 10 IEEE CN1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 849583060 QZVPFPZRWSGGDP-RTBURBONSA-N 426.952 2.329 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 918957092 QMXOKRBGAWCVGM-AWEZNQCLSA-N 434.436 2.109 30 10 IEEE Cc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccccc2[N+](=O)[O-])n1N 1084077667 URPBVJZAGWTNFT-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE CCOC(=O)CSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084604195 PXGYPRKSGIQWMC-UHFFFAOYSA-N 431.478 2.148 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccccc2OCC#N)cc1 1128761097 BKKPHKCJVKODFZ-HNNXBMFYSA-N 425.441 2.149 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 1135640528 JPRJBZCSBFKXCC-UHFFFAOYSA-N 426.538 2.246 30 10 IEEE CCOC(Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1)OCC 1138181632 YBOAJZQFVWWFAZ-LJQANCHMSA-N 425.489 2.079 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)c1 1141784916 XHSHYCXXKLWHMS-UHFFFAOYSA-N 435.523 2.156 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(O)(c4cccc(Br)c4)C3)CC2=O)cc1 1151267336 DJJVBDKQZYHLON-OAHLLOKOSA-N 440.297 2.404 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)CC1 1152967535 KQKRWJWAOHLQQO-FQEVSTJZSA-N 447.557 2.271 30 10 IEEE O=C(c1cccc(C#CCO)c1)N1CCn2c(nnc2-c2cncc(Br)c2)C1 1156139270 BTLLWXGXWLAORM-UHFFFAOYSA-N 438.285 2.102 30 10 IEEE N#Cc1cc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)nc(C2CC2)n1 1184536932 ZYGKTIACXSDSBO-UHFFFAOYSA-N 448.346 2.499 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNC(=O)CCCc3ccccc3)C2=O)cc1 1248376292 VZXZIBOSXMZNHH-JOCHJYFZSA-N 447.539 2.097 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1cc(CO)nn1 1286275087 PPJDQRNYWUAIPE-AWEZNQCLSA-N 431.447 2.179 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286391253 DEVYZYOPFNKXFP-VQTJNVASSA-N 428.558 2.156 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286395333 ZXIZMKAXKZJCKU-QZTJIDSGSA-N 436.603 2.228 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 1286717568 BJGBCTASINPSRT-UHFFFAOYSA-N 436.925 2.328 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(OC(C)C)CC1 1286820097 DVFSYSVWVVVBRD-KRWDZBQOSA-N 426.583 2.167 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1 1286827755 ZJBGUTDHENNQMV-UHFFFAOYSA-N 431.518 2.481 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286830494 OKDWMZGCNGCWEO-HOTGVXAUSA-N 447.634 2.488 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1287067825 BLKWEOROKPDRSV-KRWDZBQOSA-N 439.520 2.043 30 10 IEEE CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1288191659 RAOQDUOWKINRMR-MOPGFXCFSA-N 437.548 2.075 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCCC2)CCOC1 1288321935 NJIXSQQZDGPUNW-DENIHFKCSA-N 433.553 2.397 30 10 IEEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CCO2)c1 1290280916 VBXZWTFRXHRBMV-NRFANRHFSA-N 435.532 2.390 30 10 IEEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291071467 BIICJUWWAFBKFI-DBZGDUTOSA-N 438.536 2.220 30 10 IEEE CC[C@]1(C)CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1292366489 XUVFQOFPEAXJNZ-ICXBWIRDSA-N 444.536 2.051 30 10 IEEE CN(CC(F)(F)F)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298250438 WAXHLUAOXCUATP-XUVDNFPMSA-N 428.415 2.045 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1300307385 FSCWJOICRFYZAQ-RDJZCZTQSA-N 442.520 2.011 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300357302 MAXADVSGHATTSA-HXUWFJFHSA-N 434.500 2.355 30 10 IEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300393979 MAMNZIGPCWPTJZ-GOSISDBHSA-N 449.577 2.137 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1300504445 NONMCFVLYXWART-HNNXBMFYSA-N 438.912 2.375 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C(C)C 1300602787 JMDVVYWQGNLVJB-NRFANRHFSA-N 432.594 2.413 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2nsnc2c1 1300651001 YIEHACCJNLXPTP-UHFFFAOYSA-N 448.512 2.064 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)CC1 1301080170 OXWCSFZHNFINFS-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301248141 AHLFGHMVXDHTJL-SFHVURJKSA-N 427.553 2.017 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1301458625 DDBZEIPANZOWBL-SJORKVTESA-N 431.541 2.161 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301596773 YELRWPDBFVSSIZ-GOSISDBHSA-N 445.593 2.228 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301609874 PWQSIKOUJHQVHP-CVEARBPZSA-N 434.610 2.280 30 10 IEEE COCCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1301670596 GKTNFXCOBSBREK-HXUWFJFHSA-N 438.532 2.433 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccs3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1302681989 DTQXUNIXKFEUTO-ZZEZOPTASA-N 441.561 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(=O)NC[C@H]3c3ccccc3)C2)C1 1303952627 IPMVKQXRHPLHCL-FZQSFKQPSA-N 438.528 2.473 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1306783652 NKSOXEKMXBYQJV-KRWDZBQOSA-N 425.537 2.195 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)C1 1307872782 QWSGMSDKVSFNFK-QGZVFWFLSA-N 429.565 2.342 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1314157755 FEWQUKOUHANGLC-UTKZUKDTSA-N 447.536 2.378 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314664578 AVHSFEDDKHZNBU-UHFFFAOYSA-N 447.591 2.465 30 10 IEEE COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc(OC)c1 1315313716 OWEZUJFRMWNGGS-IBGZPJMESA-N 436.472 2.396 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)C[C@H]1OC 1316329740 FESLLABRBATUDB-SESVDKBCSA-N 441.532 2.110 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2cnccc2c1 1358919408 BSHJZZJVEGSFRB-INIZCTEOSA-N 426.546 2.486 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936586 RCOVDSLEEIGKKV-QHCPKHFHSA-N 446.596 2.316 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1359026855 MSZJGONADDSMMN-GOSISDBHSA-N 431.443 2.239 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359027751 UXPKJQWKDJAPIE-HXUWFJFHSA-N 435.532 2.461 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1359133893 DFFKNSNWPDOSKL-UHFFFAOYSA-N 438.576 2.145 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(S(C)(=O)=O)cc1 1359244304 YEYBGLACJFTJIT-UHFFFAOYSA-N 445.570 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)n2)C1 1359321342 FFYOIVFJJKIIRB-AZUAARDMSA-N 445.589 2.298 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1360480884 IAVLWOAPRHRPEC-MJGOQNOKSA-N 430.578 2.083 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1360750520 XNSHGKXGVNBLNR-ZYSHUDEJSA-N 431.468 2.091 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)c3cccc(C#CCO)c3)C2)nn1 1450872920 XRUWSOJUQWDIKK-HXUWFJFHSA-N 439.516 2.124 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C(=O)OC[C@@H]2C1 1465793425 RHVZFBUXNYTIQG-WMZOPIPTSA-N 426.473 2.056 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1468092857 STQKNCXHFIBDRQ-UHFFFAOYSA-N 431.294 2.129 30 10 IEEE C#CC[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1468874457 ZRLURSMVDCGZKX-LJQANCHMSA-N 448.928 2.212 30 10 IEEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1479558788 HVEIAGDYJYWDBZ-SFHVURJKSA-N 428.533 2.190 30 10 IEEE C[C@@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCO1 1493339586 FYUNSZCBBIIWGL-SJLPKXTDSA-N 429.546 2.113 30 10 IEEE C[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1494014969 CZGSFGAQAJYRQB-KTVWJZFRSA-N 436.516 2.272 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1494105545 DTAWSCAIJKDMFE-OAHLLOKOSA-N 449.481 2.368 30 10 IEEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507579117 LFEGLJAOGOUYST-NRFANRHFSA-N 448.571 2.161 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](C)c1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1507625505 JWMHNJUHALOLIN-YJBOKZPZSA-N 440.529 2.067 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1OC 1507751208 LMICPEQCNXMODG-KRWDZBQOSA-N 434.587 2.192 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1507790691 BSGZUDQFTKGNON-UFYCRDLUSA-N 430.597 2.462 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507811558 SBOJUCBGODKIBU-KNKQGSTJSA-N 433.597 2.485 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1508033009 JIRLXYQNZPZQGP-MJGOQNOKSA-N 432.546 2.353 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCOCC2)C1 1508075003 UDLOQLWIWQOSPA-UHFFFAOYSA-N 448.980 2.398 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)c(OC)c1OC 1514691907 VCFZGOIOPXTUQC-UHFFFAOYSA-N 444.875 2.231 30 10 IEEE COCC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1518967726 CTYARGGGYBJKLA-KNQAVFIVSA-N 427.505 2.318 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1519324295 GJZFFUNZHQZMNR-ZWCUEREDSA-N 429.521 2.029 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1519383984 RSPYFJBALSVGIW-LEWJYISDSA-N 439.516 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@@H](C#N)C(C)(C)C)(C(=O)OC(C)(C)C)C1 1520630152 VSJMCHUKHYUCIC-LHSJRXKWSA-N 425.526 2.389 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(CC#N)cc3)c2)C[C@@H](C)O1 1529870002 GOTMEYVUNVGFRE-IAGOWNOFSA-N 427.526 2.481 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2nc3n(c2C#N)CCS3)N(C(=O)OCc2ccccc2)C1 1530534486 DYLKKLPOGYZRGN-CABCVRRESA-N 427.486 2.225 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1539011961 DDDSWBGMRKKFLW-UKRRQHHQSA-N 437.363 2.449 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539081632 DSSORVWYPBTUSK-LJQANCHMSA-N 433.516 2.088 30 10 IEEE COc1cc(Br)c(Cl)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539117637 AVYFYJBLSNXCSN-BJOHPYRUSA-N 433.711 2.121 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](F)COC 1539257471 KFANAMXZEQNIJO-KRWDZBQOSA-N 436.491 2.293 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(C)c1C 1539510179 FWOFWOQDPRQAAN-UHFFFAOYSA-N 427.534 2.051 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540852917 ARDYZQQNBRSSNK-HZPDHXFCSA-N 433.475 2.032 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)c(OC)c2)C1 1540882226 DSAFFJXDGAMLAA-SJLPKXTDSA-N 449.577 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccccc1C 1540902788 QGOQGCCESMQAIA-MOPGFXCFSA-N 443.573 2.480 30 10 IEEE Cc1ccc(C(=O)NCCn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)cc1 1542247931 CHORGTMNFMNVGA-QGZVFWFLSA-N 434.548 2.474 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1543449481 GTZBPTJURIBCCC-AUSIDOKSSA-N 437.500 2.298 30 10 IEEE C[C@H]1Cn2nc(C(=O)NCCNc3ccc(C#N)cn3)cc2CN1C(=O)OC(C)(C)C 1543450254 SLLMWJJRKXKOOV-AWEZNQCLSA-N 425.493 2.131 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)o1 1545289875 NLUKLTGUCIGKDN-CQSZACIVSA-N 427.461 2.259 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1545661500 AUYGCXKYMPLWCS-LJQANCHMSA-N 425.581 2.315 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCC(CC#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1548042850 NODOKIBPLPCSPA-ZUEZHPSSSA-N 447.580 2.379 30 10 IEEE CCOCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1548277879 VYJUMRUUPIUMMG-HSZRJFAPSA-N 440.548 2.165 30 10 IEEE CN(CCOc1ccccc1F)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554312018 IRYBYGNSRJHNIY-XUTLUUPISA-N 440.479 2.336 30 10 IEEE C#CCN(CC(=O)N1CCN(c2ccc(Br)cn2)CC1)C(=O)OC(C)(C)C 1565579750 FZBJRTOSTVEOIG-UHFFFAOYSA-N 437.338 2.363 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 1565685360 WGWOZGRYXNAYDG-GOSISDBHSA-N 440.544 2.131 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1583961167 QRLLYZZURIEQHA-BDXSIMOUSA-N 426.579 2.471 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1587860804 BLHPUIVQVDQXDQ-KRWDZBQOSA-N 449.602 2.039 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1588050802 VDTUGZABJBQYFF-INIZCTEOSA-N 443.504 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC(C)(C)N1CCOCC1 1588167110 WQHWPUSMIUDUKK-UHFFFAOYSA-N 425.508 2.180 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1588446051 WLUUIBYAVWDGMJ-UHFFFAOYSA-N 448.552 2.063 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1Cc2ccccc2C1 1588647805 YSYMOSSQSHILRA-OAQYLSRUSA-N 442.585 2.071 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCOCC1 1588672069 AMMVDNVWVJPNNR-HXUWFJFHSA-N 436.560 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1588923824 NAFMTXFNHVTCRO-WIYYLYMNSA-N 448.571 2.307 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CC(N)=O)C1 1589582156 ZDWKHJIYEMBKSH-OEUJLIAZSA-N 447.580 2.075 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1594733435 TXILQBVNNNAUMG-KRWDZBQOSA-N 448.568 2.397 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N(C)C 1595276161 XKCHBZJBLNBXQO-UHFFFAOYSA-N 425.331 2.153 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595442553 SEIKTMXCSLUQNS-UTKZUKDTSA-N 442.539 2.171 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1595523048 OAFMQZHOEGLNJP-UHFFFAOYSA-N 433.516 2.334 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@H](C)C2)cc1 1595607602 IHZPMUQQNLOVJW-IXDOHACOSA-N 449.577 2.115 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2nnc3c2CCCC3)cc1 1596925768 SEGLRHHZPYWQCU-HIXSDJFHSA-N 444.561 2.389 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)c1C#N 1609507769 SYUOJMRGQGZNHB-GFCCVEGCSA-N 425.518 2.343 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1612990584 DVHFQTQXEZFHEI-ROUUACIJSA-N 428.512 2.314 30 10 IEEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/CC#N)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614466872 YTBSWTZLBNCNMW-VOPKZDFLSA-N 442.556 2.294 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1619589266 AISANFJZQZHZCH-GOSISDBHSA-N 441.532 2.397 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C[C@H](C)O1 1619753866 FVZQXAKLBSMDTH-CUWPLCDZSA-N 441.532 2.395 30 10 IEEE COCCOc1ccc(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1 1620036960 AGKQIHYIUIXLOK-UHFFFAOYSA-N 433.516 2.253 30 10 IEEE C#CCN(CC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1621093672 DQFLFHVOCRRPFG-UHFFFAOYSA-N 427.545 2.454 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 1622070522 BESRMHQOPWNLNJ-AWEZNQCLSA-N 425.507 2.041 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C(=O)OC(C)(C)C 1624990017 DARFYMAVESRXGP-UHFFFAOYSA-N 449.573 2.007 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1626829922 HIZNVHQPFTVLNF-HKUYNNGSSA-N 444.381 2.298 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 1628931568 JINYSICNDWSVCV-GOSISDBHSA-N 437.562 2.038 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)c1 1630085558 XMISDMOVPWZEPW-UHFFFAOYSA-N 444.423 2.367 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCO[C@](C)(C#N)C3)cc2)cc1 1639633521 FPIOVGATJJSNCJ-JOCHJYFZSA-N 441.509 2.122 30 10 IEEE N#CC1(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CCCC1 1639708033 BAJWYPHVDYHCDV-OAHLLOKOSA-N 425.576 2.487 30 10 IEEE CCC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(N)(=O)=O 1639782808 MQAWBAHSHGWTJW-RNJXMRFFSA-N 432.333 2.073 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NCC1(C#N)CCCC1 1640672550 VYPRTKQHNUSZNV-UHFFFAOYSA-N 429.546 2.269 30 10 IEEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 1641564104 FEYJCWUFDLKBII-UHFFFAOYSA-N 442.541 2.200 30 10 IEEE C#CCN1CCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 1661481251 IMBYOWSRBOOALV-BJKOFHAPSA-N 441.572 2.374 30 10 IEEE C#CCN(Cc1nc(Br)c(Br)n1CC)[C@H]1CCS(=O)(=O)C1 1663860621 YOKZQCKYHXMKRI-JTQLQIEISA-N 439.173 2.050 30 10 IEEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1670709742 LGQIRVWTCUFTOS-LBPRGKRZSA-N 430.313 2.246 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)cc1 1673643112 CONOWDBMKHYAMU-QFIPXVFZSA-N 432.521 2.486 30 10 IEEE CN(Cc1ccccc1)C1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCOCC1 1687549079 WRQBVIYWWLDNQD-UHFFFAOYSA-N 448.571 2.466 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC1CCCCC1 1689860638 FBAOHXUUOJROLB-HNNXBMFYSA-N 428.562 2.176 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689993303 AMEOSOMYKPNDOD-GOSISDBHSA-N 445.614 2.176 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(CC)CCC)CC1 1690119645 MRHIOMHBBVMSJF-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1690251792 ZICQPCWNLXMRCQ-WIYYLYMNSA-N 443.596 2.472 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690308775 ZKZQMQLTRFKJPB-UHFFFAOYSA-N 429.525 2.242 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC#N 1690670851 KKRLBHFODMWZAS-INIZCTEOSA-N 445.568 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cccn3)cc2)C1 1690684454 GDSPEWNIGKIGDV-HXUWFJFHSA-N 435.532 2.432 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1692343413 FOCAQLSMOSQMFO-SFHVURJKSA-N 445.593 2.388 30 10 IEEE C[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1693678264 HWNQDSNGRKTLFK-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCNC(C)=O 1696296292 KDZZBKJTAGBZRU-UHFFFAOYSA-N 426.521 2.260 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1698023983 DTRRHHNQBDLHCD-UGKGYDQZSA-N 437.592 2.458 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1698193012 RGIUSPANKWCCLL-RTWAWAEBSA-N 441.532 2.254 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)C1 1698314966 AHKOZMZCDSLPDN-MRXNPFEDSA-N 440.529 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1Cc2ccccc2C1 1705598436 JURADYDCZGCDKP-JOCHJYFZSA-N 436.581 2.448 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705655757 QNDSZRONLXNSAL-SFHVURJKSA-N 433.965 2.306 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC)C1 1705685720 HQZKAZVVLVPMNY-HUUCEWRRSA-N 425.375 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705699214 DMTBUVJEBYWETB-HKUYNNGSSA-N 437.610 2.387 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705706500 VWYOCWUIYIYLLG-JYLXEMOASA-N 430.597 2.301 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1705868791 BIGNYIYUZKMASE-XUVXKRRUSA-N 443.596 2.042 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1705911043 WQABAZIPXNMQJY-SFHVURJKSA-N 439.516 2.013 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C2CC2)C1 1705929022 JRXBCTQFOIMVCD-IERDGZPVSA-N 431.562 2.212 30 10 IEEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cc1F 1711811055 FUPYTQMJQGIXEW-KBPBESRZSA-N 438.529 2.017 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1 1712451672 AERFILVCLQXYLD-UHFFFAOYSA-N 443.527 2.134 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)F)CC1 1712882154 ZDQPYVIOUHOCKT-UHFFFAOYSA-N 428.422 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(CS(C)(=O)=O)CC1 1722392603 JHAAPYSJXDWEEQ-UHFFFAOYSA-N 431.949 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccccc1 1722397172 OHWRJHCJPMLAKC-PMACEKPBSA-N 426.542 2.031 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(CS(C)(=O)=O)CC1 1722407815 SNOSPLGNAMPEDV-UHFFFAOYSA-N 432.546 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)nc2ccccc12 1722419171 QKDUPXBDAGEFQS-UHFFFAOYSA-N 436.516 2.107 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1cccnc1N1CCOCC1 1722426213 CMNYPAWEVZRUBD-UHFFFAOYSA-N 426.565 2.233 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722592253 WPBOOMSGLBNEIB-ZIAGYGMSSA-N 442.486 2.336 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722698502 GGDLSUUEGFGIMH-UXHICEINSA-N 430.597 2.177 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(C)Cc2ccccc2C1 1723923853 BUCZQQSWBUZMTM-MRXNPFEDSA-N 442.589 2.433 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@@H]1CCOC1 1740538489 HJADRKSDZYMHIJ-MSOLQXFVSA-N 446.573 2.250 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1740600287 KZVOWNJKRNZFEH-QHCPKHFHSA-N 433.597 2.278 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1Cc1cccnc1N1CCOCC1 1740614509 TWUXDYDVXULFRF-UHFFFAOYSA-N 448.527 2.215 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(=O)NCC)cc1 1740660227 KPGBIOOTAKRNNJ-UHFFFAOYSA-N 431.500 2.183 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCS(C)(=O)=O 1740924277 LUBSEHMNXBMNLO-UHFFFAOYSA-N 434.591 2.438 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1740953223 YVLSDRXGNBTUFE-GOSISDBHSA-N 426.521 2.011 30 10 IEEE CCc1cnc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1744421740 NMROVXAIHSRKDW-VXPUYCOJSA-N 441.561 2.412 30 10 IEEE CO[C@@]1(Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C#N)C2)CCOC1 1748504733 AVTQQQDADWOPNC-XMSQKQJNSA-N 427.505 2.008 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(CC)s1 1748664208 DMWXXMXCPALCSA-ZDUSSCGKSA-N 434.529 2.112 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC2(C1)OCCO2 1748875926 ZIVPRYWTIIANMR-GOSISDBHSA-N 427.549 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1cccc(N2CCOCC2)n1 1748965765 VWOTUDHPEZTLTO-UHFFFAOYSA-N 426.565 2.233 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1749053145 BPTUBEHTYWDPPA-ZUEVXXBESA-N 436.607 2.449 30 10 IEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1749242063 AHVOBJURCNMZDY-UHFFFAOYSA-N 439.564 2.371 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1749626004 ICOOOAZZKVLHIU-IBGZPJMESA-N 426.521 2.149 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 1752175599 AFJGGYZOOGXMOP-QZTJIDSGSA-N 444.605 2.418 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1752557876 NJDBAWVGGHEMLA-PEBXRYMYSA-N 434.504 2.067 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1760175978 WKYHHTGHLKJUMI-FQEVSTJZSA-N 441.601 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOc1ncccc1F 1760201684 IEDOVASGGQCYHB-UHFFFAOYSA-N 443.442 2.280 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCC(C)CC2)CC1 1760262107 ZXUIQPBMOTYYGA-JOCHJYFZSA-N 438.624 2.015 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760262315 LPMLMWLBEMWAOY-CYFREDJKSA-N 425.577 2.430 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1760313970 ROEOORVTJRCWTK-FHWLQOOXSA-N 435.569 2.028 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760349097 ZHGPYNVMJIZIMJ-IBGZPJMESA-N 446.596 2.095 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760465690 PUZSRMRDLJQJNU-RBUKOAKNSA-N 430.578 2.090 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1760542969 PEQDWHVCBNXIAX-MSOLQXFVSA-N 432.546 2.037 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC=CCC1 1760550577 BWDWBVMMOIOSAM-UHFFFAOYSA-N 426.340 2.403 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)CCC(F)(F)F 1760557243 FMAVMJREIUSFJO-UHFFFAOYSA-N 434.488 2.129 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1767262456 YGFZJAGTXMWHBT-UHFFFAOYSA-N 429.521 2.335 30 10 IEEE CO[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1769094984 PIKWRTCXUUIRQN-AJKFJFBCSA-N 428.537 2.323 30 10 IEEE COC[C@H]1CCCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770893448 WXAREZIOPNCBGR-UAFUQJIBSA-N 430.553 2.256 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1852590181 LSLCSANDPZJQOE-CYBMUJFWSA-N 429.477 2.006 30 10 IEEE COc1ccc(-n2cc(CN3CCN(C(=O)c4ccc(C#N)c(F)c4)CC3)nn2)cc1F 1853185525 SAMCXTZFENLUKA-UHFFFAOYSA-N 438.438 2.384 30 10 IEEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C1=O)CC2 1856518778 OMOAADPQGJBUEJ-ZFWWWQNUSA-N 437.468 2.050 30 10 IEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862182526 QYEGOWXLQAGDSE-GOSISDBHSA-N 441.528 2.312 30 10 IEEE COc1ccc(Cn2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1F 1870105248 IMAQLKSFUZSAMN-UHFFFAOYSA-N 442.838 2.368 30 10 IEEE C=CCOc1cn(C[C@@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870385554 CLHQCEQQMVKDTQ-QGZVFWFLSA-N 428.489 2.024 30 10 IEEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870417998 QZPVINWLMCFZFL-UHFFFAOYSA-N 433.549 2.234 30 10 IEEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871485671 JYSJWOXXOCNJQC-UHFFFAOYSA-N 427.336 2.463 30 10 IEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875231351 KBLIKEGVGFXKBY-UHFFFAOYSA-N 436.564 2.482 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)c1 1890820785 PUVGAMLMWLPYFS-SFHVURJKSA-N 440.569 2.318 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(n3ccnn3)CC2)[C@H]1c1ccc(C#N)cc1 1892110875 FCYFHCMDBZSUDV-NHCUHLMSSA-N 438.557 2.407 30 10 IEEE C#C[C@@]1(O)CCCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2009819261 JDBDBVYZXBJDOY-DNQXCXABSA-N 427.545 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010396345 GLTBJTQIBFUKAR-ZDUSSCGKSA-N 436.343 2.024 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2060635192 JHNPDUWRJABSEI-IXDOHACOSA-N 434.342 2.411 30 10 IEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2063955347 ZMGPKXHNGRHCPQ-PWRODBHTSA-N 442.560 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CO)C1 2224079820 NFDBNVVGZSNALC-RDJZCZTQSA-N 433.358 2.411 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2224095609 DPOVQBNZIKKZOV-MRXNPFEDSA-N 433.358 2.453 30 10 IEEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256629195 QZWSYXYLFSSNEZ-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 2267149881 RBNVOIFDLCNCCY-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2267155065 OHNXVMBYMKMFFR-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267169316 XICFBDWLTNKABF-HOCLYGCPSA-N 446.357 2.199 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267187967 GEVHKAFHEYNJET-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE Cc1ccc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267237210 LNHKFOMEIWFJHZ-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267273794 RGJLVHGPMCYXDZ-IEBWSBKVSA-N 436.365 2.274 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2267478578 ZSJLVPHTHQVSIB-LJQANCHMSA-N 432.333 2.231 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 2267524939 XHHNQKSSVJHXKS-AWEZNQCLSA-N 448.373 2.187 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@](O)(CNC(=O)OC(C)(C)C)COC 2278792825 FFGFZEBLGPASLS-QFBILLFUSA-N 427.339 2.291 30 10 IEEE COC(=O)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(C(C)=O)CC3)C2=O)cc1 2324035236 MZUPHQGYNMOKSN-UHFFFAOYSA-N 436.464 2.459 30 10 IEEE C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295067 LTAFWRLYKXZXBA-CQSZACIVSA-N 434.468 2.170 30 10 IEEE C=CCn1c(=O)c(N2CCC(NC(=O)NCc3cccc(OC)c3)CC2)nc2cccnc21 96333383 CMTOYPLQQCEXSD-UHFFFAOYSA-N 448.527 2.454 30 10 IEEE O=C1NCCN1c1ccc(C#CCNS(=O)(=O)c2ccc(Br)s2)cc1 96353241 KJOJTUXEYCTBKT-UHFFFAOYSA-N 440.344 2.370 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 110356907 LYCIFRXTTZIYBJ-OAQYLSRUSA-N 429.517 2.222 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc1 238817182 BTCGJUACKWAJEH-SFHVURJKSA-N 428.514 2.277 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 410020903 MUIHPJIWKYDZTC-NVXWUHKLSA-N 433.559 2.445 30 10 IEEE N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 435626220 JWVFQEBYNWJNTO-UHFFFAOYSA-N 444.850 2.039 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(Cc2nccn2C(F)F)CC1 471048680 VTJZCHQBQFSNJS-UHFFFAOYSA-N 440.458 2.092 30 10 IEEE CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 474403094 OLMRNCIWZCOEHV-QGZVFWFLSA-N 441.557 2.043 30 10 IEEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2C1 487328971 AUTSSMSBTVTTCL-DYVFJYSZSA-N 430.306 2.339 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2ccnn2C)c1=O 505700452 PMKDKQVWEKHSQL-UHFFFAOYSA-N 446.454 2.458 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccc4[nH]ccc34)CC2)cc1 508626250 BPUXRUMQTIITDK-UHFFFAOYSA-N 437.525 2.298 30 10 IEEE CSc1nc(O)c(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C#N 513249935 FIYDKJGYCWZFLU-UHFFFAOYSA-N 446.554 2.485 30 10 IEEE CN1C(=O)C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 514753540 HAFWGJHKGKHRSS-QFBILLFUSA-N 436.896 2.081 30 10 IEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccco3)c2=O)c1 522110364 NQKBMDPCOUHKCN-UHFFFAOYSA-N 433.489 2.323 30 10 IEEE CSc1nc(O)c(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C#N 522749276 VVSXMDTXWLOLCI-UHFFFAOYSA-N 446.554 2.105 30 10 IEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccn3)c2=O)c1 523306566 VJTOUNKVWCMKHY-UHFFFAOYSA-N 444.516 2.125 30 10 IEEE N#Cc1c(CCCNC(=O)c2cccc(-n3cncn3)c2)nn(-c2ccc(F)cc2)c1N 524523869 VCWWQXBZCUSFKU-UHFFFAOYSA-N 430.447 2.409 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 544153410 VZZFBPXEEAWGPW-UHFFFAOYSA-N 431.514 2.460 30 10 IEEE Cc1c(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cccc1S(=O)(=O)NC1CC1 546220736 UOVHOOVJLAVJLO-UHFFFAOYSA-N 440.529 2.057 30 10 IEEE COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CC2)c1=O 579427079 KLLVOPNBXSRSSM-UHFFFAOYSA-N 446.532 2.311 30 10 IEEE C=CCOc1ccc(NCC(=O)c2ccc3c(c2)N(CC)C(=O)CO3)cc1-n1cnnn1 586322626 MBLCKPWUGQJRSF-UHFFFAOYSA-N 434.456 2.267 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)CC2)nc1 611195459 XLJIFWMNYQGGDQ-UHFFFAOYSA-N 444.364 2.061 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 677833697 CUOMMXVGBDCXSS-LHLIQPBNSA-N 425.276 2.360 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(C)c1 685545424 CBZXGMYBWMZSGM-RTBURBONSA-N 431.562 2.447 30 10 IEEE C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@H](C)O2)n1ccc(=[N+](C)C)cc1 728042286 QTJSWEOKKUOTLU-AWEZNQCLSA-O 425.534 2.226 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCOCC)c2=O)cn1 735068709 JXEFXIIYMKEPKR-UHFFFAOYSA-N 430.574 2.061 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1ccco1 735068714 DTSLAGCULBRPTL-QGZVFWFLSA-N 431.514 2.479 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1 739526535 PDQVUNOQMABDOC-BXBGIHQFSA-N 447.557 2.460 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc(S(N)(=O)=O)cc2C#N)cc1 742175496 VYTNAGBJJVKLEM-AWEZNQCLSA-N 436.559 2.409 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cc1F 766418236 ZCKMDYOFKWCPAQ-SFHVURJKSA-N 444.536 2.124 30 10 IEEE Cc1ccccc1C(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 771192208 CLPGEVUQUBOLAS-LYBHJNIJSA-N 428.514 2.176 30 10 IEEE C#CCN(C(=O)Nc1cnn(-c2ccccc2Br)c1)[C@@H]1CCS(=O)(=O)C1 774057783 GVXMELLCMZEVGL-CQSZACIVSA-N 437.319 2.289 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2CC(C)(C)C2)cn1 780321711 FAXUXUXWWJRTCZ-KRWDZBQOSA-N 434.610 2.339 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)cc1 780693024 YQIBYZOTGGFFBA-RUZDIDTESA-N 448.523 2.288 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 781937431 RFXIEFSWJDKALV-JHHGQVAESA-N 438.406 2.315 30 10 IEEE C[C@@H](c1ccccc1)n1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782695337 CLSVDNCUTPWIGS-LBPRGKRZSA-N 440.326 2.042 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 786791746 HNKBGAAIZNEBMV-LBPRGKRZSA-N 437.522 2.248 30 10 IEEE C=CC[C@@]1(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 790292842 OGPOYQGVOWFHLW-QFIPXVFZSA-N 430.505 2.186 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCO2)cc1 802693554 XHZXJTZKFQSBPM-IFMALSPDSA-N 436.560 2.427 30 10 IEEE C#CCC(CC#C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 807168100 COSJOSUFQMKVOU-AZUAARDMSA-N 429.561 2.404 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 812079810 OPTBFWKFHZZUEN-GOSISDBHSA-N 448.531 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H]2CCCO2)CC1 812310156 NKCJPFVWWHXBMP-NRFANRHFSA-N 446.555 2.426 30 10 IEEE COCC(C)(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 813562119 BYAYHEYYCQHOSA-QGZVFWFLSA-N 438.569 2.498 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)cc1F 813679287 QEWPCVXUBNCWHH-ZDUSSCGKSA-N 441.481 2.054 30 10 IEEE CCN(C)Cc1cc(O[C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)ccn1 856589098 FINRSOIHBXUQRC-OAQYLSRUSA-N 428.558 2.332 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)NCc1cnn(-c2ccccc2)c1 857566573 PGODKDUSYUNMIG-UHFFFAOYSA-N 433.468 2.254 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n([C@H](C)c3ccccc3)c2=O)cc2c1OCCO2 917794440 IZJYURICBCOGKN-OAHLLOKOSA-N 445.500 2.326 30 10 IEEE C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)c1 1130902062 IGUSQNZBEUHGML-GJZGRUSLSA-N 425.407 2.056 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 1132417928 IQJLFGAQKSDPIR-OAHLLOKOSA-N 441.937 2.038 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C 1150140074 GFZMPYVBOZDUAI-KGVIQGDOSA-N 440.569 2.252 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)OC 1155778893 BPZPQPOOWUTEPT-GDBMZVCRSA-N 440.443 2.001 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ccc(O)cc2C1 1167702528 WZNVGBFUQYUMMD-SFHVURJKSA-N 443.525 2.411 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 1169072457 JMXOLLQOBQOZIK-SFHVURJKSA-N 436.472 2.295 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1178208519 REKFBBDZSKRBIK-UHFFFAOYSA-N 445.516 2.463 30 10 IEEE N#Cc1cc(Br)cnc1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1185007932 SXZJFKSVZBIYED-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1cccs1)c1ccc(Br)cc1 1224514567 WRHWOVKVRMPJQG-AWEZNQCLSA-N 442.360 2.463 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 1254598893 JWEQQVNAFAIWDK-HZPDHXFCSA-N 428.938 2.214 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286350912 MBZIQEJJOWNDCX-SFHVURJKSA-N 433.553 2.187 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286359284 YRUYTMNQEFESHX-ROUUACIJSA-N 433.553 2.473 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286386152 VOIGRSRQUNAEFX-HNNXBMFYSA-N 435.619 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncccc1C 1286408676 JFBBDIYRGOYUTA-UHFFFAOYSA-N 437.507 2.499 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286408896 GJWKKPJOCCAHQJ-OALUTQOASA-N 431.606 2.144 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1286471165 HEPOSZCAZUSDHE-MBSDFSHPSA-N 443.523 2.118 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(=O)NCC)c2)CC1 1286480468 XVJYTBRITDWVBD-UHFFFAOYSA-N 443.555 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCCC2)CC1 1286493015 DKQIVHXNVWMPFI-UHFFFAOYSA-N 427.574 2.201 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOC(C)(C)C2)C1 1286812384 OTRRAYHPXUFNMP-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286815209 ORKWQYGLYRXYJG-CRAIPNDOSA-N 449.533 2.315 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286932453 WQBMLMILNFLIQE-HXUWFJFHSA-N 449.559 2.084 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1286962274 YJDFKDQPDGWDCZ-OXQOHEQNSA-N 441.598 2.128 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1291229839 PNJBNBHBXHNJLU-DMIMOZFVSA-N 439.545 2.197 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)c1 1291626827 IDGXHENWCWPIAD-ULJHMMPZSA-N 447.517 2.430 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1296059449 FVMWKXUNJZLNHP-AEFFLSMTSA-N 430.578 2.429 30 10 IEEE CCOc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1296828678 CUNOGFLUROQJIE-NFBKMPQASA-N 441.532 2.494 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1300298403 BWEKXTOIDPMZRX-NQIIRXRSSA-N 431.544 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC[C@@H]1C 1300574441 ARDHFYBJNSWLPY-NRFANRHFSA-N 443.555 2.314 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)c1 1300626383 SINJZPUNTNOIRA-UHFFFAOYSA-N 433.564 2.278 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2nccc(C(F)F)n2)CC1 1300721880 BTZUSFPYSONTEX-UHFFFAOYSA-N 429.475 2.287 30 10 IEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1301185801 KXAAZDCZAXYALJ-UHFFFAOYSA-N 436.520 2.412 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2O)C1 1301239292 MHIKSQANUFHBOU-UHFFFAOYSA-N 435.488 2.181 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301492299 DGAXFMHMVLIOCK-INIZCTEOSA-N 440.939 2.413 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301589257 PPHNVFSYLMXNNM-KRWDZBQOSA-N 437.610 2.059 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C(C)(C)C)no1 1301800100 SYINHOMQHXZXNU-UHFFFAOYSA-N 429.525 2.214 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)C1 1303534857 NGUOCUNLMGDHRA-HXUWFJFHSA-N 430.501 2.091 30 10 IEEE CC[C@@H]1CCCCN1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1306324035 OCGRPTIINHYUQX-QTEQDKRBSA-N 446.596 2.312 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)n(Cc2ccco2)c1C 1308140899 MWCCPGUSGPBRBW-LEWJYISDSA-N 425.533 2.087 30 10 IEEE C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1 1309007504 GULPOMNQNPXPIW-UHFFFAOYSA-N 426.604 2.260 30 10 IEEE CCN(OC)C(=O)CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1312914464 PVUTYYOASWBTTN-YUMQZZPRSA-N 427.292 2.209 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCCCO 1315330609 ZSUKVHKFDDZGHD-HNNXBMFYSA-N 437.953 2.451 30 10 IEEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1316265865 DLYVNUQXUXLXGP-HXUWFJFHSA-N 440.548 2.033 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1358885087 CORTXJNNLQELEF-KGLIPLIRSA-N 428.443 2.074 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1358910627 WIOXYJRIXURLOF-QGZVFWFLSA-N 448.527 2.385 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1358914506 WGGVLNFXPWQACP-UHFFFAOYSA-N 434.548 2.471 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1358919311 ZICFXWARKJTXDB-UHFFFAOYSA-N 443.511 2.301 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358928343 AELOGKJGRHXFTN-MJGOQNOKSA-N 425.537 2.331 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1359064037 JUQUSJRNJBKEDF-HRAATJIYSA-N 449.552 2.489 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cccn2)CC1 1359126099 FVHQJKKACNHQCP-UHFFFAOYSA-N 427.553 2.220 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1359211773 OGEKUPCJPHKMIW-UHFFFAOYSA-N 435.536 2.192 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359294057 IYTATCSNBDOSNV-FUHWJXTLSA-N 426.477 2.161 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1359486305 XLMHOBFNNILPLB-LSDHHAIUSA-N 428.518 2.035 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1360785567 YCVNJMJASKJAED-WZONZLPQSA-N 438.532 2.438 30 10 IEEE C#CC[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1437057609 FDYJVDZODLSATE-KRWDZBQOSA-N 434.558 2.366 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1460276889 FUINUJNBPMWRLP-QGZVFWFLSA-N 442.541 2.211 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1461653556 UVACKWVWMIACJK-UHFFFAOYSA-N 427.526 2.086 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CN(c4ccc(F)cc4)C3=O)CC2=O)cc1Cl 1466795357 ZNYXGLRQBOPGLV-ACJLOTCBSA-N 426.835 2.235 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC)ccc1Br 1468478494 MFAHIPMZPGZSED-HNNXBMFYSA-N 429.336 2.497 30 10 IEEE C=C(C)COCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1469329728 PVBCSXAYCHQASV-HNNXBMFYSA-N 443.285 2.066 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2CN(C(=O)OCc3ccccc3)C2)C1 1469727420 APKAULLDAFPXQG-FUHWJXTLSA-N 443.504 2.066 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1473573731 IXURNHKYQKEENP-CTWQGKMFSA-N 432.569 2.156 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)cc1 1492468051 UAUYLDWJFHOPKL-SFHVURJKSA-N 430.578 2.186 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499982811 VUYRNZJEYTXYJL-OAHLLOKOSA-N 425.537 2.489 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1503551815 GHJXVRAXTJYTMQ-ROUUACIJSA-N 429.546 2.114 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C#N)o1 1503706069 PZKYWWGTLYIXOW-MRXNPFEDSA-N 449.515 2.479 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(CN4CCCC4=O)n3CCCCCO)CCO2)c1 1505317013 ICVHICXFVAQJAG-FQEVSTJZSA-N 438.532 2.013 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCOC2CCCC2)cc1 1505319570 ARDCKCNBKDRCTP-UHFFFAOYSA-N 438.532 2.404 30 10 IEEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1507556100 ZHLNBHKLXQGSQF-KRWDZBQOSA-N 433.459 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc(CC)s1 1507660935 HWLBPIMHCRORSE-NRFANRHFSA-N 428.562 2.244 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(-n2cncn2)c1 1507672861 KFMHLXVXVKKIMZ-UHFFFAOYSA-N 439.527 2.232 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1507680177 YYHYMSICAKYLCN-CYBMUJFWSA-N 434.547 2.113 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](OC)c2ccccc2)CC1 1507716277 PPGPCQMCENKYGT-OAQYLSRUSA-N 438.576 2.339 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1507762056 TZPLVWMDSNFWIC-TUACAJSNSA-N 445.608 2.423 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1507790690 BSGZUDQFTKGNON-AQNXPRMDSA-N 430.597 2.462 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1507957194 DNRGQRWZYLEQPK-KRWDZBQOSA-N 441.598 2.021 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CC)C(=O)C1 1508074841 RYTGDIYDAANBRP-UHFFFAOYSA-N 434.903 2.098 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC)C1 1508091291 MQOOBDZKCMIBAB-IAGOWNOFSA-N 448.568 2.125 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)C1 1508185229 GJBOCDSOCDQQPR-LJQANCHMSA-N 432.532 2.212 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1508221538 QIYLOPLDPOBHHA-OAQYLSRUSA-N 438.532 2.071 30 10 IEEE C[C@H]1CN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1512522773 GOGQEIARZCCDNN-AVRDEDQJSA-N 427.528 2.207 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)c1ccsc1 1516540063 TVASWDURMOQXNY-NRFANRHFSA-N 440.529 2.319 30 10 IEEE CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C#N 1516801274 BTLVDFUINWJAPL-CQSZACIVSA-N 432.550 2.178 30 10 IEEE CN(C)c1cccnc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1517002407 FGBXGBHDJGZSGL-UHFFFAOYSA-N 431.504 2.175 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC(=O)NC2CCCCC2)cc1 1521089417 COGLIZFWTUIIPF-IBGZPJMESA-N 449.559 2.357 30 10 IEEE Cn1cc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c(I)n1 1532791151 CBVUAYZWKYYZLQ-UHFFFAOYSA-N 432.225 2.393 30 10 IEEE CN(CCc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)OC(C)(C)C 1538539545 JJXDEEXNAZMVMA-JTSKRJEESA-N 447.557 2.106 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539025734 MBIYQSUTVRJNHB-ICSRJNTNSA-N 448.575 2.266 30 10 IEEE CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539117639 AYNJLQUHQDYWAY-ADYITMSISA-N 429.586 2.177 30 10 IEEE C#CCCCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539140433 NXQNYMDJPPJESV-PGRDOPGGSA-N 433.553 2.447 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1539408785 CQMKVYIZQOYUIL-HXUWFJFHSA-N 446.433 2.271 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOC2CCCC2)CC1 1539462651 KNVKLNOIWRYWTD-FPOVZHCZSA-N 431.581 2.107 30 10 IEEE Cc1ccc(CO[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1540728299 BTVMNOAHYIBQCJ-SFHVURJKSA-N 427.526 2.305 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540858635 OXBKHUFWVGKUOV-OAHLLOKOSA-N 439.532 2.441 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540867523 ZBAIZVAFHRKEBA-GOSISDBHSA-N 432.488 2.194 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2NC(=O)CC2(C)C)C1 1540893752 JROXDHHMALDBCP-DLBZAZTESA-N 430.578 2.330 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@H]2C)C1 1540894118 RALBYSCZSPSGTN-APWZRJJASA-N 432.594 2.136 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1541806806 SVJDXHCALLALTP-WAIKUNEKSA-N 433.516 2.478 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2CCCO)cs1 1542908790 MNCRTKCKMMGGQI-IBGZPJMESA-N 429.594 2.221 30 10 IEEE C#CCN1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 1544078640 KDJXZDXIJBSSEW-QGZVFWFLSA-N 437.327 2.366 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C(=O)OC 1544352481 XQJDSMZPFWPQLU-GOSISDBHSA-N 438.546 2.498 30 10 IEEE N#Cc1ccc(OCC(=O)NCCCNC(=O)c2cccc(O)c2)cc1Br 1545682023 NORHDDFCCNVUIO-UHFFFAOYSA-N 432.274 2.341 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1546832267 AOWOUQWSAXRFOC-IVZQSRNASA-N 444.536 2.088 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)c1 1552663027 KPDVLMBJLWMNSX-LJQANCHMSA-N 436.541 2.409 30 10 IEEE CCO[C@@H]1C[C@@](CO)(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1(C)C 1556222615 ZVICBCJOVCBMTC-JPMRARLYSA-N 435.565 2.456 30 10 IEEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OC 1558384054 SXEXMSNPADIKRJ-WBVHZDCISA-N 425.551 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1558465739 NWHIPCHKWXYXCH-VGSWGCGISA-N 429.521 2.118 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(CC)(CC)c2ccc(Cl)cc2)CC1 1563872293 UFYJEOSPFUTWPM-UHFFFAOYSA-N 440.997 2.193 30 10 IEEE C=CC[C@@H](CO)CNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1565148554 KUNISSHLKDFGAM-QGZVFWFLSA-N 444.536 2.276 30 10 IEEE C#CC[C@@]1(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)CCCN1C(=O)OC(C)(C)C 1583621359 NLDYXNGXJXAPPC-JTSKRJEESA-N 436.549 2.311 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C(=O)OC 1587305160 CJQRORVIAHNRNO-KRWDZBQOSA-N 427.482 2.485 30 10 IEEE CCS(=O)(=O)c1ccccc1CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1587644679 GADHCUUXYDQJJZ-UHFFFAOYSA-N 428.514 2.109 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1587677114 CNTSPUOVLIGYTD-GEYWLOKFSA-N 433.553 2.348 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1588035319 RLZBWKSEARMPDN-SFHVURJKSA-N 432.546 2.007 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCSC2(C)C)CC1 1588865150 QALFJEGLZDPIIA-LJQANCHMSA-N 427.622 2.427 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1589513651 AWTJACOBLMVODO-VQIMIIECSA-N 431.562 2.335 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCc1ccco1 1589615990 YPUGCHXYIXCKLB-UHFFFAOYSA-N 447.503 2.233 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1594127945 LGRBRAMANGJEQM-UHFFFAOYSA-N 432.488 2.038 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1594824958 STYODZMLIIKYOM-LJQANCHMSA-N 427.578 2.403 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NC 1595296467 GCQIABGQZWCTOU-UHFFFAOYSA-N 439.520 2.005 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](OC)C2)cc1 1595613319 CDGNBMYKTUIEIH-QUCCMNQESA-N 446.573 2.409 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1 1597726020 OWGUNCPVDPORJE-SFHVURJKSA-N 439.516 2.154 30 10 IEEE O=C(CN1CCC2(CCC2)S(=O)(=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1618583690 ZCQWEUNGZXJJNN-UHFFFAOYSA-N 428.476 2.216 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 1622256368 XAEMBPCAYGPZFE-IBGZPJMESA-N 429.908 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(CCO)C(C)(C)C1 1625329625 WYKVDWIJTPEDRB-FQEVSTJZSA-N 442.560 2.308 30 10 IEEE COc1cccc2c(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)cnn12 1625969544 DXIKUWXPBYJMJD-NKFKGCMQSA-N 427.486 2.408 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1626424835 OQEAXQVQMJCILC-IBGZPJMESA-N 440.422 2.416 30 10 IEEE COc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)nc1I 1626983557 UNAKVIWGXNGWQS-UHFFFAOYSA-N 428.226 2.173 30 10 IEEE N#C[C@@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)c1cccc(Br)c1 1630698706 HOHYOYZQWVRGBF-SJORKVTESA-N 432.274 2.417 30 10 IEEE COc1cccc2c1OCCC[C@@H]2NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1633420559 SQBGFXNVPNVXFV-INIZCTEOSA-N 429.498 2.154 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)nc1 1633498092 BWOGXBDOTJZZOL-KNQAVFIVSA-N 436.487 2.003 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)OC2=O 1635193261 DVTZIKVYJXEKPB-ROUUACIJSA-N 443.500 2.041 30 10 IEEE Cc1c(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)cnn1CCC#N 1635934685 ZNLVQEKSNFJPSF-DLBZAZTESA-N 426.521 2.426 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 1643888417 KNVWZCFMXXGJTD-OAQYLSRUSA-N 426.542 2.001 30 10 IEEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ccc([N+](=O)[O-])c1N 1650898666 ULGIGTCRKIWPQL-UHFFFAOYSA-N 439.856 2.352 30 10 IEEE CO[C@@H]1COCC[C@@H]1N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1654651454 WHQZFMDKTTVRNZ-ORYQWCPZSA-N 430.549 2.092 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)c1cnc2c(Br)csc2c1)C(=O)OC 1663617873 PALGAVVNIIFNNM-NSHDSACASA-N 435.321 2.081 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)CC1 1663849030 FLNXGHIRUIQYES-UHFFFAOYSA-N 430.320 2.165 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1)c1ccc(F)cc1 1669525383 DUKSEYMEXMPFMH-QGZVFWFLSA-N 435.477 2.255 30 10 IEEE C#C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)C1CCOCC1 1672932078 POULWLFYEASQBP-HTAPYJJXSA-N 447.601 2.343 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(NC(C)=O)nc1 1690022838 UOSWJVVIFXZZSR-UHFFFAOYSA-N 428.496 2.352 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1690068047 VQBURMYDWQIJPG-QHCPKHFHSA-N 436.585 2.484 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC(=O)N1 1690093682 GUNAPXXTFMIYGU-NVXWUHKLSA-N 431.924 2.436 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCN1CCOCC1(C)C 1690098759 UNFQOHLUNXTPDB-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2scnc2C)CC1 1690146544 QDFRCPPELFPTOC-SFHVURJKSA-N 442.589 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCOC)CC1 1690150874 YSCGCUJVAKGLDM-UHFFFAOYSA-N 434.544 2.353 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC 1690302761 KYUREBOKXBRBOL-UHFFFAOYSA-N 439.358 2.211 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690351014 FLNDTAVJUBZPSJ-LJQANCHMSA-N 444.967 2.009 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1690594765 FMKLEGQUSWLJST-IBGZPJMESA-N 425.537 2.046 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1690676361 XPOBKQFARWMIHV-HNNXBMFYSA-N 447.923 2.202 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1691010349 FWUZSBCRUAQLIC-BRWVUGGUSA-N 432.569 2.075 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)NC(C)C 1692209906 AAUOWVRBKYFAIT-UHFFFAOYSA-N 440.552 2.065 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1695796125 FOQATECWMXOTTI-UHFFFAOYSA-N 445.453 2.161 30 10 IEEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccco1 1696597558 HOXOZLXWKGEFID-LJQANCHMSA-N 433.516 2.414 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1698492959 MBCMNKINHHMUAQ-MOPGFXCFSA-N 447.923 2.435 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)CCO1 1698494183 SSLHKHMSCSBOLS-DGCLKSJQSA-N 426.424 2.087 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705511777 GJNRBTGHSSVTDI-UHFFFAOYSA-N 429.956 2.007 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705565671 JLSIUXDMKSSSAY-ICSRJNTNSA-N 444.557 2.203 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1705613128 VPYXCCIPRXAKEQ-NRFANRHFSA-N 425.533 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(F)c2)CC1 1705650639 WLRQPWJDEWUHJJ-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1705656244 SREUEFFAOCODOA-SFHVURJKSA-N 438.561 2.148 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705725804 RQYIOAVZSZDFFG-QRVBRYPASA-N 449.552 2.129 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1705786767 XAMWEYIJLDFWQX-MRXNPFEDSA-N 430.553 2.261 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1705928174 MZTWGXZDWAPBLK-PCCBWWKXSA-N 432.613 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705935742 CGTQVAIHTFPLKQ-UHFFFAOYSA-N 435.594 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1705935774 CTDLQWICSUQTPJ-UHFFFAOYSA-N 448.568 2.397 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1705977127 LRFKLXAQEYWJON-OAQYLSRUSA-N 438.532 2.071 30 10 IEEE Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCOCCS(C)(=O)=O 1707645664 JXUUVVMERGXNBN-UHFFFAOYSA-N 431.562 2.445 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722340510 APVUGSOJUXEUHJ-DENIHFKCSA-N 428.537 2.138 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)CC1CC1 1722352742 KQPNEKFNFBEWIT-UHFFFAOYSA-N 425.514 2.494 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722425902 PNNXZOLIJXQEAO-WOJBJXKFSA-N 440.592 2.238 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(c3ccccn3)CCC2)CC1 1722450932 TXPMOFXJSQKFSQ-UHFFFAOYSA-N 436.560 2.297 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722587987 HHFZCNWPOBPOLO-RTBURBONSA-N 441.532 2.344 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 1722704061 BHDMVJZOAGEZPL-LJQANCHMSA-N 445.589 2.458 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(F)ccc2F)CCOC1 1723690837 KGGBLPWIJOCAST-UWJYYQICSA-N 433.459 2.374 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1Cc1cccnc1N1CCOCC1 1723779081 GOMALOXQSUBCBF-GOSISDBHSA-N 432.532 2.282 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cs1 1725345717 SPDLDTXCWFZAQZ-WIYYLYMNSA-N 447.584 2.433 30 10 IEEE Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1726355327 GJJLGZCPXXQTNI-WOJBJXKFSA-N 428.562 2.299 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1726536756 AEGUZGLECNHTNQ-ZHRRBRCNSA-N 443.573 2.381 30 10 IEEE COCC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCCC1 1730505581 PSTQFTBEGPSWCJ-INIZCTEOSA-N 438.598 2.225 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cscc2C(F)(F)F)CCO1 1731186589 QLVVMGPLOOYXNO-CYBMUJFWSA-N 440.451 2.371 30 10 IEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740577181 VCVWWFRVQUDOMS-FQEVSTJZSA-N 430.574 2.499 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1Cc1c(C)nn(C)c1C 1740687833 HZPTUYBWFHLKBG-UHFFFAOYSA-N 426.496 2.481 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740805219 MHKYONWPRWPOPE-PBHICJAKSA-N 449.964 2.064 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 1740967915 UKZKTEUSSWWHNK-QHCPKHFHSA-N 438.532 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)C1 1740980877 RUQWFSZETWVVCF-GJZGRUSLSA-N 434.447 2.055 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)C1 1740985533 RNOLXOJWWYVENQ-SBUREZEXSA-N 441.532 2.125 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCC(C)C)CCO1 1741105582 XYYOTLRJRXZPNV-OAQYLSRUSA-N 440.548 2.221 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1 1741806859 BSMOGWKPKNJGKC-INIZCTEOSA-N 437.548 2.356 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1742021751 MDBUYIQOEKTWQX-MRXNPFEDSA-N 439.520 2.081 30 10 IEEE Cn1cnnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1748043688 BYPYBOMHJSIVNF-QGZVFWFLSA-N 449.263 2.465 30 10 IEEE COc1ccc([C@@H](C)CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1748594193 FYHBVSXTPJCALM-PXNSSMCTSA-N 438.532 2.445 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](OC)C(C)C)c1 1748692998 VBIGKVUNRAIKIF-FQEVSTJZSA-N 435.532 2.406 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748811503 IBYWPKLFEZITGL-QGZVFWFLSA-N 443.504 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCS(=O)(=O)C1 1748859149 QZQFVOHHMMXIDE-GOSISDBHSA-N 428.583 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2csc(C)c2)CC1 1749005054 RBFGAAWAXIEORO-KRWDZBQOSA-N 445.589 2.386 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1749340975 VKLHIPXSLNYZLY-PMACEKPBSA-N 440.548 2.032 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1749421115 LJDFCFLUDCAWDU-UHFFFAOYSA-N 447.561 2.201 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749450990 ZRXFAUUBXUUBRL-OAHLLOKOSA-N 432.491 2.082 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCCC2=O)C1 1750378211 DVNODTXKNDMPQZ-QFIPXVFZSA-N 425.512 2.499 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCOC2)C1 1750510890 YSHWQHBIHLWZCM-WNRNVDISSA-N 446.552 2.204 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760126702 GWHIDFVBYYCADB-HVTWWXFQSA-N 433.597 2.348 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCn1cc(Br)cn1 1760178056 XYFJYZKTGXYTLH-UHFFFAOYSA-N 431.342 2.258 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188911 QUQLOVLLTOUNTD-RTBURBONSA-N 432.521 2.334 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760425397 LINQDVRSCCCORV-DOTOQJQBSA-N 428.541 2.160 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)OC(C)(C)C1 1760514802 FUOAMJWXWIUDEF-LBPRGKRZSA-N 437.342 2.342 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1760524746 HXRUREUDSMKPCR-SFHVURJKSA-N 436.491 2.363 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1762725988 ZBGZBTMLKSUDFF-ZCNNSNEGSA-N 443.596 2.001 30 10 IEEE CCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1764520976 GXYIFDKZQSNLPV-IBGZPJMESA-N 431.562 2.157 30 10 IEEE COc1cccc([C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)c1 1768767840 DDONIXGLFCKCIZ-UGKGYDQZSA-N 436.495 2.489 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1)NC(=O)OC(C)(C)C 1770648358 IHVJFOIQEZLKHZ-OAHLLOKOSA-N 444.561 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)ON3C(=O)c4ccccc4C3=O)=NO2)C1 1772788735 FUNJQLPUHRVHNJ-OAQYLSRUSA-N 429.429 2.287 30 10 IEEE Cc1ccc(C)c(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 1851517982 QIQZCACRBAEHSY-NRFANRHFSA-N 447.539 2.288 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc(-n3cccn3)nc2)cc1 1851950773 MIRXPGTYVWRAOX-OAQYLSRUSA-N 433.468 2.076 30 10 IEEE N#Cc1ccc(OC[C@H](CS(=O)(=O)c2ccccc2)OCC(=O)N2CCCC2)cc1 1852127105 XEHLYPBKYORCIK-HXUWFJFHSA-N 428.510 2.419 30 10 IEEE CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(CCC#N)CC1 1852649841 PDVOMTQBCXSKIH-KRWDZBQOSA-N 426.970 2.091 30 10 IEEE C[C@H](CCC#N)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccccc3S(C)(=O)=O)C2)CC1 1853943968 SYTRTTPKQSSYTR-SJLPKXTDSA-N 431.558 2.483 30 10 IEEE Cc1c(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)nnn1-c1ccc(Cl)cc1 1855888937 VOUCQSVXYLITPO-INIZCTEOSA-N 426.908 2.453 30 10 IEEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC3(CC2)C[C@H]3C#N)CCC1=O 1857295746 WCJZKRBQEKARJE-IRXDYDNUSA-N 429.542 2.095 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(CC)cc2)cc1 1859012568 KCHIHCLCWSJNKN-UHFFFAOYSA-N 444.509 2.035 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(C(=O)O)cc2)cc1F 1862639577 BTMUUXGHIJEUQI-SFHVURJKSA-N 429.400 2.493 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862740988 ZLBGKTCAFWXYRS-KRWDZBQOSA-N 427.369 2.464 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@H](CO)C2)=C(N)Oc2c1c(C)nn2C 1865227226 FIYSRHZNSUEKJD-JXFKEZNVSA-N 438.528 2.219 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)Cc2csc(COc3ccccc3)n2)c1 1866594958 OIBIXRDWTVDSSR-IBGZPJMESA-N 436.493 2.252 30 10 IEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC[C@H](C)C2)cc1=O 1870385342 SUJNMQFKZCRMIB-KRWDZBQOSA-N 431.558 2.341 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccccc2C)cc1=O 1871008200 LUVWMLDXQSVZPY-UHFFFAOYSA-N 437.521 2.477 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1889617458 ATBSBPBQTOHUJX-UHFFFAOYSA-N 433.618 2.194 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1890927164 MFILHKJYHOIKMH-JKSUJKDBSA-N 444.022 2.358 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 2010228311 BEGFCILWJQTGCZ-FQEVSTJZSA-N 429.561 2.436 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065454571 FBAAVRNULAXVJN-KRWDZBQOSA-N 434.342 2.142 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751776 IGUXPLPJKWTYEM-TWJGEFDFSA-N 436.358 2.442 30 10 IEEE CN(CCCS(C)(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116144553 FWNRZPFSRIOHBA-UHFFFAOYSA-N 433.177 2.014 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128723821 DXDKDQHVYJRDJG-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE C=CC1(NC(=O)[C@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2242690730 GPOXGHSOAMUWRE-HUUCEWRRSA-N 425.526 2.039 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@]2(C#N)N(CCO)C(=O)OC(C)(C)C 2244188930 WEXKWADVUZGGAK-OFIQSVQDSA-N 425.526 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)(C1)C2 2247293410 QHVXGFKVRBNRDV-TZYHBYERSA-N 426.517 2.049 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 2247816691 FTPLRJHNDLSBDH-ZDUSSCGKSA-N 437.371 2.490 30 10 IEEE CC[C@@H](CN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255537947 DEOMCVMKHSQOLR-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255622672 CMEDUVVHRKTMQG-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CCn1cc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652809 ZREGKOBDBWXURS-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE CC[C@H](CN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255652878 APFUZLUWTKSGKR-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2255827168 HDEWQPZLNIALPJ-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255833947 JVYKHFCIMCYSFL-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2255864700 YUXOHGJUJFASBI-APIJFGDWSA-N 438.330 2.438 30 10 IEEE CN(C)C[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256024337 VBYGMOJBNQDNAZ-INIZCTEOSA-N 435.374 2.402 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CN(CCO)C(=O)OC(C)(C)C 2256623811 HABGBCPTADEDDO-UHFFFAOYSA-N 434.342 2.462 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256681510 MFVRBFUHUWZFIQ-DLBZAZTESA-N 435.374 2.374 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267141705 MCECODHNTONMBI-JLCFBVMHSA-N 446.357 2.086 30 10 IEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267271931 WCGFNOJCPHQUFS-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CCn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267491463 DNICTIJPHTZOLI-CABCVRRESA-N 448.373 2.187 30 10 IEEE Cn1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)c1B1OC(C)(C)C(C)(C)O1 2267492065 MWRVUPIDRQOZMD-MRXNPFEDSA-N 448.373 2.143 30 10 IEEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267513670 QAZDYWLZYMOBEY-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC1(C)C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267520504 NJVUMTPBRNSUJJ-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267521035 PWKHNXCCEWCTOR-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE Cc1c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529173 XSWQETMCVIRNFW-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2267550793 DUNDJABCJCMXNG-FPTDNZKUSA-N 448.325 2.087 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268612149 FLGRPESRKACSNQ-MRXNPFEDSA-N 444.341 2.329 30 10 IEEE Cc1ccc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2282114756 IEJVRMSSANXWRX-QFIPXVFZSA-N 449.404 2.498 30 10 IEEE CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(c3nccc(C#N)n3)CC2)n1 2296587863 RYYYXPZJQABOLG-UHFFFAOYSA-N 428.500 2.354 30 10 IEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccco1 2296625785 GHMQEGOILWXBOC-SFHVURJKSA-N 425.441 2.098 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](OCc3ccccc3)C2)n1C 2315592926 COZSQOCEGVXYJG-GOSISDBHSA-N 425.338 2.459 30 10 IEEE C[C@H](C#CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)NC(=O)OC(C)(C)C 2318687832 LLIPNMPRDWVBHZ-CYBMUJFWSA-N 449.744 2.311 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2337295093 UZXXCFCENVJEES-CABCVRRESA-N 448.373 2.095 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)CC2)cc1 10453504 XQMFHPDLMXGXKF-IBGZPJMESA-N 431.901 2.048 30 10 IEEE Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2F)CC1 96323440 ACMKHBVFDATPIN-UHFFFAOYSA-N 433.509 2.238 30 10 IEEE CCOc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)c2ccccc2)cc1 254823787 PXZRFMBAMVKKRV-GOSISDBHSA-N 448.483 2.414 30 10 IEEE CC(C)(C)OC(=O)/N=C(\NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 306797381 KNFDNRSWAHJRET-NSHDSACASA-N 446.501 2.370 30 10 IEEE COc1ccc2ccccc2c1-c1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)on1 409483009 HFKRGXILODINAB-INIZCTEOSA-N 428.470 2.062 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cc1 435834384 JIJKFYUWNMZNBK-UHFFFAOYSA-N 437.521 2.326 30 10 IEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460942773 DNNOFRMPEFSICW-UHFFFAOYSA-N 434.522 2.195 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCC(NC(=O)C3CC3)CC2)cc1 475455478 BEJMVKPIIQTNFX-KVZIAJEVSA-N 426.542 2.483 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 482393420 FKPMOMSSSJNPTM-OAHLLOKOSA-N 443.525 2.497 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 487422913 XGXVMVSDTQGCRG-FQEVSTJZSA-N 442.541 2.218 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)c1 503389826 LNJHXALONKYFRL-HTAPYJJXSA-N 431.489 2.187 30 10 IEEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 505037463 CTHGFAOPBTUNJU-UHFFFAOYSA-N 438.937 2.215 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 506281806 STCJGNZSUVPLST-UHFFFAOYSA-N 432.366 2.363 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CCCN4CCOCC4)CC3)cc2C1=O 507827665 RCBJJJDKGAQECS-UHFFFAOYSA-N 425.529 2.433 30 10 IEEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 513041183 KJGPPRDDTSPASP-UHFFFAOYSA-N 425.554 2.117 30 10 IEEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513785156 HAOCWTLWAHRKSR-IBGZPJMESA-N 441.553 2.252 30 10 IEEE CCO[C@@H]1C[C@@](NS(=O)(=O)c2cccc(Br)c2C#N)(C(=O)OC)C1(C)C 553866773 PNYBFOFLVJWQPK-RHSMWYFYSA-N 445.335 2.346 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 555285396 FQEYZYDFMTZQCU-MSOLQXFVSA-N 444.605 2.393 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 558964835 LBFWYIBWWANWTB-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 561078236 HKYOFRKIGNQZTO-QZTJIDSGSA-N 439.482 2.246 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 568931204 ARKJPNYSVMWZIJ-UHFFFAOYSA-N 438.307 2.078 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 575956901 HPYSMGCNBMEXOC-APWZRJJASA-N 447.561 2.289 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 582274650 GCSKUCSKYLYMBF-UHFFFAOYSA-N 445.545 2.254 30 10 IEEE CN1C(=O)COc2ccc(NC(=O)N3CCC[C@H](NC(=O)c4cccc(C#N)c4)C3)cc21 585904079 MCFVZNJKRHXXBR-SFHVURJKSA-N 433.468 2.340 30 10 IEEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 586600384 HBOANMKMAPXMJC-UHFFFAOYSA-N 428.514 2.470 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCn4c(Cc5ccccc5)nnc4C3)cc2C1=O 607565904 FNASJLOMLJEMDI-UHFFFAOYSA-N 427.464 2.307 30 10 IEEE N#Cc1c(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)nc2n1CCS2 609814825 QDHFVDDZPBMXBX-UHFFFAOYSA-N 446.286 2.248 30 10 IEEE CCn1c(O)nnc1C1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 611212476 VWBUZXXZRHUVBC-UHFFFAOYSA-N 431.518 2.101 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 615216917 FTZVLNHOYJKZFG-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE CCn1c(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc2cc(F)ccc21 727502540 CIQDYGNWBPZQDB-UHFFFAOYSA-N 430.461 2.367 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 728930932 KUWUCEVUZPIJFG-FXAWDEMLSA-N 446.555 2.289 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3c4ccccc4CC[C@@H]3C)cc2C1=O 729905670 IMVAUALACUKMJV-AWEZNQCLSA-N 439.493 2.285 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 731887655 DEHOFPCDXFAPHL-ZCXUNETKSA-N 448.317 2.140 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1 735671192 BERQRDRVWICFGL-QGZVFWFLSA-N 447.582 2.338 30 10 IEEE CC(C)N1C(=O)CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1(C)C 743114182 MJVGTYGWPCXBOW-NKFKGCMQSA-N 449.577 2.363 30 10 IEEE CC(C)(C)OC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1 764976761 JPQLFLSDOOQAAD-GOSISDBHSA-N 437.521 2.071 30 10 IEEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1OC 771786781 RLPITHOSQQRJDJ-QGZVFWFLSA-N 446.481 2.124 30 10 IEEE C#CCN(C(=O)NC[C@H](C)Oc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 774241438 MHBVAIKDJVYTHZ-ZFWWWQNUSA-N 429.336 2.048 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NS(=O)(=O)c2cncc(Br)c2)cc1 777308431 CVOZGWMVDFVGLB-MRXNPFEDSA-N 435.303 2.190 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 784509745 DCEZKSVCFCVMHF-KSZLIROESA-N 425.514 2.299 30 10 IEEE Cc1csc([C@@H](C#N)C(=O)COC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n1 786293054 ICTGRDOLTVPNJT-HNNXBMFYSA-N 443.529 2.264 30 10 IEEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 790712193 DBRVFIHETGCONA-LPHOPBHVSA-N 444.557 2.217 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 793479377 GPVXSPJUKHRAQD-QOCHGBHMSA-N 425.391 2.452 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cncc3ccccc23)c1=O 794582076 XNPUSMGPKFRESA-KRWDZBQOSA-N 433.533 2.367 30 10 IEEE CSc1nc(O)c(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 804761147 XDDPGSKEIGXCCF-OAHLLOKOSA-N 447.561 2.148 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2c3c(nn2C)CCCC3)C1=O 812221303 JDZHIZJCCWIJQX-IBGZPJMESA-N 436.541 2.438 30 10 IEEE C/C=C\C[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1138131955 PWNIQDKNOKIWTD-GECAAYIISA-N 435.546 2.154 30 10 IEEE COC(=O)CCN(CC#N)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 1152129106 UXULETNCQVLPJK-UHFFFAOYSA-N 433.461 2.084 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1165327625 WLAIXXGCFLYBFK-SOLBZPMBSA-N 440.500 2.390 30 10 IEEE CCN(C)Cc1cc(O[C@H]2CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)ccn1 1174845153 KIJOCBCCSUGBFS-NRFANRHFSA-N 432.524 2.286 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN([C@@H](CC)c3ccc(Br)cc3)CC2)CC1 1190913811 PKBFVRNRKGXSHQ-NRFANRHFSA-N 447.421 2.295 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c1 1196963288 ZEQWMSIOOTXJNG-RBBKRZOGSA-N 446.617 2.133 30 10 IEEE COc1ccc([C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 1231120222 SSPKHZOVCSFFHN-PRXAMGSTSA-N 442.335 2.098 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nncn3CC2)cc1 1264723919 BHXMZPFIECNMNI-QBTWCYAOSA-N 444.561 2.462 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286349796 OQSPEKGSWDAZFL-HXUWFJFHSA-N 442.608 2.109 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1286358483 HMDZTMXNHWJYON-UHFFFAOYSA-N 429.546 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286405255 BGRIVBSTDOEMSB-IBGZPJMESA-N 442.445 2.153 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1286410067 ROYGNWVAEPOFNU-CTNGQTDRSA-N 443.617 2.050 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCC=C 1286410482 TZVJSUCJCCKUFI-LJQANCHMSA-N 443.548 2.252 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C2OCCO2)c1 1286414616 AICQIIGLJRXHNU-UHFFFAOYSA-N 430.512 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nncn1C 1286460455 NJXDOWNBYHLOAY-UHFFFAOYSA-N 444.337 2.279 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1286507806 CGJUVTUAODFRFB-RDJZCZTQSA-N 434.587 2.450 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1286564160 MFRLYDKELZNOJA-YLJYHZDGSA-N 430.578 2.284 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286663415 BQGLEAXOVBEBEO-IBGZPJMESA-N 449.515 2.119 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1286686886 DJUSJLHTRSHOFT-QGZVFWFLSA-N 445.593 2.407 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1286718000 SMUWZJJBCBQVFX-UHFFFAOYSA-N 443.426 2.272 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N(C)C 1286742912 WVYAHZCBIRZMHL-UHFFFAOYSA-N 439.545 2.229 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCCC[C@@H]2C1 1286779115 FCICQHSUBSRUEP-OAHLLOKOSA-N 448.369 2.012 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](C(N)=O)C1 1286782093 KBFKJRKJNWGAON-INIZCTEOSA-N 442.589 2.279 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286782814 HGOXWCXMGMAYBN-GOEBONIOSA-N 447.879 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286782815 HGOXWCXMGMAYBN-HOCLYGCPSA-N 447.879 2.023 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1COCCO1 1291605952 MUXCLDBLGSJDSX-MJGOQNOKSA-N 425.537 2.190 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1298926993 GXWOQEAHGDDPRP-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1300021379 WQIKTTOZGNLCRG-SFHVURJKSA-N 439.516 2.361 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1300321922 PWZYIYLYXPPFGU-HNNXBMFYSA-N 437.953 2.004 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1300409280 GVKHUEBCEPZKCX-RTBURBONSA-N 430.578 2.248 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1300485829 ZIOXMMMCXYRIQF-UTKZUKDTSA-N 434.562 2.146 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1300489444 OIAWWEKYZZBHJL-SFHVURJKSA-N 445.495 2.489 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)CN1CCOCC1 1300529755 QKGWDRBXZMEAED-OAQYLSRUSA-N 443.555 2.172 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1300805955 LXFDXOXMIZUCTE-NJNPRVFISA-N 433.622 2.293 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1300890544 HFBKKPUVPXSKCZ-UGKGYDQZSA-N 441.580 2.213 30 10 IEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1300991533 ORBXVHZHOXTPGE-OAHLLOKOSA-N 439.520 2.005 30 10 IEEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301062003 ZZLUMOPAEQDAKE-MOPGFXCFSA-N 425.917 2.102 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1301475786 YFNLISVDURAMCQ-MRXNPFEDSA-N 445.593 2.176 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1301491227 GFLHGKMWGHOMQH-QGZVFWFLSA-N 440.548 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1301586561 HHZWFAAZWZYCBT-UHFFFAOYSA-N 430.534 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC[C@H](C2CCC2)C1 1301586637 HPQYVWTVCUDNDZ-HXUWFJFHSA-N 445.589 2.118 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1302190559 XBCIPVVTZODQDD-OAQYLSRUSA-N 439.516 2.317 30 10 IEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 1303880271 HNFJDHJHEZZSGO-KNQAVFIVSA-N 443.573 2.381 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)C1 1307872779 QWSGMSDKVSFNFK-KRWDZBQOSA-N 429.565 2.342 30 10 IEEE C#CCOc1cccc(NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1310302867 JSKHGKRGAVHXNX-UHFFFAOYSA-N 432.458 2.049 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1316289765 GVQNOFUFQHJZOK-NFTMQCDWSA-N 435.594 2.433 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc3n2CCOC3)cc1 1356319782 TZGFWUABJLHAIG-NKFKGCMQSA-N 431.518 2.259 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1357694118 PEZKMLPOLUGRAP-NQIIRXRSSA-N 435.480 2.414 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1358910953 GSQHCXFAGVZWFU-CABCVRRESA-N 435.550 2.067 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1359034486 SAWQVJURACLLHV-FQEVSTJZSA-N 436.564 2.110 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCC)CCC2)CC1 1359040340 QBUKTZADUCFFEA-UHFFFAOYSA-N 440.592 2.450 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC[C@H]2CC)CC1 1359040460 VWSSOMQJGSWFBV-BDTNDASRSA-N 444.624 2.022 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1359123327 ZFYJAFOLSXCDBF-JOCHJYFZSA-N 448.571 2.402 30 10 IEEE C[C@@H](Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C 1360587788 POXOTNQNVNLPKF-CMBDLQSPSA-N 435.548 2.441 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1438153903 MYBZRNOSIGVECK-HNNXBMFYSA-N 427.482 2.309 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCSCC(=O)OC 1443564190 QKEZDOYNBFSBLS-UHFFFAOYSA-N 431.308 2.121 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 1449309586 KBBAUFOBMSNHEP-JOCHJYFZSA-N 438.521 2.329 30 10 IEEE C#Cc1ccccc1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1455103796 AYQQGUSXWVJPAN-ZCNNSNEGSA-N 439.512 2.251 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 1455208790 BQFVFXRAOXJBPI-ZWKOTPCHSA-N 442.459 2.415 30 10 IEEE CN(C)S(=O)(=O)c1cc(NC(=O)Cn2cc3c(c(C#N)c2=O)CCCC3)ccc1Cl 1459102092 HOZQWFRDPWSAJQ-UHFFFAOYSA-N 448.932 2.141 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 1467855706 QHKOUWIITFMWQG-KSZLIROESA-N 437.537 2.189 30 10 IEEE C=C(CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1 1468713390 IZNCFOGYPNJSCS-CEXWTWQISA-N 434.558 2.486 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)CC1 1473460565 XKVWYUZHGVVRET-UHFFFAOYSA-N 428.886 2.258 30 10 IEEE COC(=O)N1CCC([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1475211374 DSRQAFWBWLFIMM-LLVKDONJSA-N 430.324 2.466 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507599602 RPIQWWZGVWSJFX-DYESRHJHSA-N 430.509 2.001 30 10 IEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1507629732 OZBUTCCBAGKECX-SFHVURJKSA-N 439.541 2.157 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1NC(=O)CC1(C)C 1507700447 QMZLRJUSVLLCDM-LJQANCHMSA-N 435.507 2.372 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2nccc(C(F)(F)F)n2)CC1 1507725142 PQNMKHBNDVRXHL-UHFFFAOYSA-N 430.438 2.080 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1507772385 JTIRFFARCPPRNH-WMZHIEFXSA-N 441.601 2.481 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1507925165 ZZXZPEXQASLSES-BHIFYINESA-N 439.560 2.483 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1508060810 DDSMXWOQARSWRG-UHFFFAOYSA-N 439.545 2.362 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CCOC1 1516129790 IUJVQTMWZPYGFC-GMQQQROESA-N 433.553 2.397 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccccc3F)CC2=O)cc1Cl 1517027218 UKOAAGPNLGFWAV-CQSZACIVSA-N 428.851 2.250 30 10 IEEE COCCOC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CCOCC1 1519345467 QGQMLLDOBJYVFT-LJQANCHMSA-N 433.553 2.124 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3nnc([C@H]4CCCO4)s3)C2=O)cc1 1532708446 NNOQDZUZOMQCAM-ZIAGYGMSSA-N 426.458 2.105 30 10 IEEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 1537142594 WYDJDWLWIDIMIM-UHFFFAOYSA-N 426.476 2.404 30 10 IEEE COc1ncc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C#N 1538154780 GOSLPUBYOAZNGK-LJQANCHMSA-N 442.497 2.346 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1539263269 CRFCCTZUNHYXGS-DHIUTWEWSA-N 446.599 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C2CC2)cs1 1539324853 YEVKPTHXHITIOH-INIZCTEOSA-N 429.571 2.025 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1540005624 MPVHFJZESRSGNX-IRXDYDNUSA-N 425.599 2.450 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(N3CCSCC3)CCCC2)s1 1540782006 UBELGQKNAAHQEZ-UHFFFAOYSA-N 443.660 2.233 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1540869724 VBBPBBVGUBDILS-HNNXBMFYSA-N 436.438 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)C1 1541201888 OWWYBZQIWXHNCB-QZTJIDSGSA-N 448.568 2.284 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1541277926 UGOFEOUPUWLPPX-OAHLLOKOSA-N 432.475 2.038 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1541888461 BIZSRUZJMUWYDN-AWEZNQCLSA-N 428.493 2.268 30 10 IEEE CNC(=O)c1cccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c1 1542359493 LEYZWUJHQATACN-OTQYULQBSA-N 426.517 2.449 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)C[C@H]1OC 1555791069 FLVXRZNIXJNHQF-MZKRTTBSSA-N 441.532 2.394 30 10 IEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)CC1 1555994626 QYGHQHCVJFTGJK-UHFFFAOYSA-N 430.553 2.116 30 10 IEEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1562632884 LZYQERMYCXGZIK-HSZRJFAPSA-N 435.528 2.420 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1564957870 GFMRFRREMVIUIE-SZMVWBNQSA-N 434.541 2.240 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)ccc1F 1570745069 GATSVNNKRHRYMH-UHFFFAOYSA-N 429.376 2.406 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CCOCC1 1585148589 DATWPQGFJALUAO-HNNXBMFYSA-N 438.855 2.182 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1SCCS1 1585645659 JHIDJARSVYXSHD-CQSZACIVSA-N 427.617 2.452 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1 1587403190 GIVULULDBGQHCG-BZNIZROVSA-N 427.404 2.459 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588034027 AAKUIHQAAHPKAD-UYAOXDASSA-N 446.573 2.251 30 10 IEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1588064813 PKLMJJJWGLPSRQ-GOSISDBHSA-N 441.557 2.013 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(C(N)=O)nc1 1588250588 GSTFTZOTVPUSCU-UHFFFAOYSA-N 442.523 2.479 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccccc1)N1CCOCC1 1588697499 STNJCHSUSWASQZ-FCHUYYIVSA-N 439.560 2.289 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1589590414 WHZQQVPLTKLRLU-ROUUACIJSA-N 426.631 2.411 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC=C)CC=C 1595551422 QMZINDHIVWIBAW-KRWDZBQOSA-N 446.552 2.067 30 10 IEEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595603142 YVEQPHALMMGPMB-DHIUTWEWSA-N 449.596 2.262 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OCC)c(Br)cc2F)CC1 1622584511 OEUDGGRVMYKNCJ-UHFFFAOYSA-N 447.326 2.141 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc2ccc(Br)cn2c1F 1622979487 HJTBYPSXUNBODP-NSHDSACASA-N 444.268 2.248 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1627800399 SIJIRNSSVHMIFK-INIZCTEOSA-N 432.868 2.445 30 10 IEEE COc1ccc(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 1628465029 LOFLSYWBPWYDKY-HNNXBMFYSA-N 428.514 2.035 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2nccc(OCC)n2)CC1 1630298777 NGSWGGAANPSGPN-KRWDZBQOSA-N 431.537 2.221 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1632646406 POTSKLJCDSOGLO-HZPDHXFCSA-N 437.537 2.188 30 10 IEEE C#CCN(C(=O)N[C@H]1CCc2nnnn2CC1)[C@H]1CCOc2ccc(Br)cc21 1636270991 DOLUREHAIWVURG-HOCLYGCPSA-N 445.321 2.309 30 10 IEEE CN(C)C(=O)O[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1637027175 ATUKJWPVCGWKIH-IZCOPSDLSA-N 434.537 2.462 30 10 IEEE C=CCNC(=O)CNC(=O)Cc1ccc(I)c(Br)c1 1637324682 HGCSMBXWEVFQDJ-UHFFFAOYSA-N 437.075 2.015 30 10 IEEE C#CC[C@@H](NC(=O)c1csc(I)c1Br)C(=O)OC 1637697463 TVEAAXHJWZNTGF-SSDOTTSWSA-N 442.072 2.410 30 10 IEEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1638528557 HURBXEQCZBDYSQ-CVEARBPZSA-N 435.406 2.493 30 10 IEEE Cn1nccc1[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1639618607 AWPWAOXQTSSEOF-REOHEROTSA-N 429.521 2.107 30 10 IEEE CCOc1ccc(C(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1OCC 1639989071 HUUDEUVJKAFXET-UHFFFAOYSA-N 428.514 2.314 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccn2c(I)cnc12 1640923870 BVBWDLKYDGIMPC-UHFFFAOYSA-N 439.253 2.356 30 10 IEEE CCOC(=O)C1=C(CN2CCN(c3ccc(C#N)cc3)CC2)NC(=O)N[C@@H]1c1ccco1 1654540478 DVJCUFBWHISOAX-OAQYLSRUSA-N 435.484 2.145 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(c3ncnn3C)CC2)n(-c2ccccc2)c1C 1654685810 PINHBSXHTAYPLV-UHFFFAOYSA-N 433.516 2.016 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C[C@@H](O)COc4ccccc4[N+](=O)[O-])CC3)n[nH]2)cc1 1654990307 CSAJKGOFSIYEAS-LJQANCHMSA-N 448.483 2.418 30 10 IEEE COCc1ccc([C@@H]2COCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1 1655655391 MCDDHUSSWOZSDY-OALUTQOASA-N 444.557 2.270 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1662049374 OBGQKRYKMKIDRE-SFTDATJTSA-N 445.493 2.443 30 10 IEEE CCOC(=O)c1csc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)n1 1664865960 DUCKKXYUPDPQOX-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)CC1 1681861850 YHMSKOKNYJHSEK-QFIPXVFZSA-N 438.553 2.136 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCCCC1 1684076062 MQJVZSMOMIIJFR-UHFFFAOYSA-N 435.506 2.085 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC(C)C 1689842997 MYBGONLPEIRUAB-INIZCTEOSA-N 426.546 2.279 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689994165 SIYCFEKLUCDYBJ-VQTJNVASSA-N 433.622 2.122 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690308493 PJCYTWVOMHZJPU-UHFFFAOYSA-N 440.552 2.054 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690686069 IURYXDLFRLZUTI-RBUKOAKNSA-N 432.613 2.300 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCCO1 1693782204 CMOROBMUEPOPBE-WMZOPIPTSA-N 429.546 2.257 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCC1(O)CCOCC1 1705602511 XLDZUQZQXUJQQA-UHFFFAOYSA-N 426.492 2.391 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2CC(F)(F)C2)n1 1705631622 KKRBSCYMANJQKZ-UHFFFAOYSA-N 444.490 2.207 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705734536 SFOXYLCVPFMZDD-INIZCTEOSA-N 429.525 2.431 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1705737549 UPTNKYBULGZCNP-UHFFFAOYSA-N 439.568 2.142 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705898533 OQTATANSQNPREQ-VQIMIIECSA-N 435.536 2.238 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705900215 UQILBZXTRCUJBY-OAHLLOKOSA-N 425.468 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1 1705937117 JGSXIANMKZVVCU-IBGZPJMESA-N 434.591 2.365 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1707892381 UMLDJZYXEPNRRE-GASCZTMLSA-N 425.537 2.009 30 10 IEEE Cc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1C[C@](C)(O)C(C)C 1707908988 FPJGMJDKJKLYCN-NRFANRHFSA-N 425.493 2.440 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1711560904 CJKMYTFXYGJFBI-QUCCMNQESA-N 437.548 2.098 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1712885329 HZZKKMSPRYSOEA-ZDUSSCGKSA-N 432.422 2.276 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2cccnc2)c1 1722308755 FUYOHVRATBSYFG-UHFFFAOYSA-N 438.495 2.429 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371153 HGNBFZWSHDKJPZ-RTWAWAEBSA-N 447.649 2.368 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722458252 YBUCLNFXAFAPRW-UHFFFAOYSA-N 432.513 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1722695902 TZTHSQONSFZGLQ-OAHLLOKOSA-N 434.903 2.145 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCNS(C)(=O)=O)C1 1722713488 BZNZRBOCUUKIAM-HNNXBMFYSA-N 439.969 2.319 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)C1 1724001790 BNFHNVOXJRKIFU-MGPUTAFESA-N 429.912 2.487 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1728201225 BLOACGWFHFKSCX-HXUWFJFHSA-N 449.559 2.086 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1740533910 VQJICYNFQHFSNA-KBPBESRZSA-N 439.969 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1740546624 ZJSRIRZXLMXRTC-HXUWFJFHSA-N 430.560 2.405 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740617284 PAKCFMUJBNQOST-INIZCTEOSA-N 449.543 2.303 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740787006 WMYVLSNTGAZDIO-OAHLLOKOSA-N 432.491 2.082 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OCCOC)C1 1740804799 FFTOELHAJINHSP-INIZCTEOSA-N 440.953 2.343 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H](OC)C(F)(F)F)CC1 1740818879 XOJGUSKCTFYORG-STQMWFEESA-N 425.477 2.012 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1741005110 SDJFIHYOMFCXCL-MRXNPFEDSA-N 431.562 2.452 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1741131450 FSDFIQLZDFFYBJ-WBVHZDCISA-N 446.577 2.397 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1741152005 GILDFUOYLMYJHP-JOCHJYFZSA-N 438.511 2.121 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)CN(C)C1=O 1741516571 UYAPDPZYPLQKCJ-QFIPXVFZSA-N 441.536 2.250 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1748730131 FGXOSLFEXOVIAE-UHFFFAOYSA-N 425.493 2.065 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1748814205 AZNNRSPHKUDDAR-PMACEKPBSA-N 433.622 2.437 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc(C)c2)CC1 1748994658 LXZIYOLBLPRAEK-UHFFFAOYSA-N 440.598 2.443 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(C)C)CC2)CC1 1749003467 KTOWJWYJANNPKM-XMMPIXPASA-N 443.592 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1749009008 DZGQQCVPPLGFRE-KRWDZBQOSA-N 428.581 2.064 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1749285558 OMSHYDCCGIGWLV-JOCHJYFZSA-N 444.967 2.085 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749356201 MRTRTHGSXPZJJO-MSOLQXFVSA-N 435.525 2.205 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 1749724442 JKDRHGUYEUNNGN-MOPGFXCFSA-N 445.589 2.123 30 10 IEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1749766189 KQABYLNVZHIFSL-HZPDHXFCSA-N 428.624 2.351 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cc(F)c(F)c2F)C1 1750378896 PLLBEYWRGIYVQI-IBGZPJMESA-N 440.376 2.447 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1750516869 XUQMQZBZOVJYDR-SFHVURJKSA-N 447.561 2.167 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CCOCCS(C)(=O)=O)C1 1751276321 BGCFYGNLKZHSIQ-NRFANRHFSA-N 449.552 2.199 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOC2=O)cc1 1760097764 JTLKYIKZKAOHFB-IAGOWNOFSA-N 427.505 2.465 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@@H]2C1 1760147524 VEARWVZFEDWSQN-LJQANCHMSA-N 427.574 2.437 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)CC 1760241800 KABWGDDAWOWABH-SFHVURJKSA-N 434.537 2.386 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1760333496 GHZQQTUTWYFRNO-IYOUNJFTSA-N 433.944 2.234 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760431668 YDAAXQRVLYUSFJ-UHFFFAOYSA-N 442.486 2.375 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760447379 JXQFTIQOOBJGNF-HNNXBMFYSA-N 425.942 2.210 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760455451 PXCAJUZAOPKRPB-ZJSXRUAMSA-N 441.576 2.453 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1760546940 ZMFCGPSJIWJAEO-FGZHOGPDSA-N 440.592 2.402 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2OC)C1 1760549659 JMHKRNYPORDREF-IBGZPJMESA-N 441.532 2.247 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760559773 SVYKVLXCEMNBTC-HNNXBMFYSA-N 438.598 2.393 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1766714376 AZUIZLALODZFNQ-UHFFFAOYSA-N 441.561 2.276 30 10 IEEE CN(C)[C@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1766908194 XPNRRPSFTWSDNF-BTYIYWSLSA-N 448.543 2.313 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCO[C@H]2CCOC2)CCOC1 1767433802 CJCZEPVQRRLKDE-UGKGYDQZSA-N 433.553 2.256 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1768503019 ATDZJNPSQQVJLQ-QHCPKHFHSA-N 438.532 2.333 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1768518380 PSWYVKUOCVZSMD-QGZVFWFLSA-N 449.353 2.015 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1768930781 CVQOUBFOXCABCC-NOVUIFNWSA-N 431.562 2.153 30 10 IEEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1769715920 TUMORNZLTWIJSS-UHFFFAOYSA-N 446.577 2.362 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1769959016 FPGQQLYHJNZWIC-JLHGSKIFSA-N 429.521 2.050 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1770664218 FCFJNCHAALIHKV-XAUMDUMWSA-N 427.505 2.364 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccncc4)n3CCCCCO)CC2)c1 1771534231 SAKZLPPOVRMJKH-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)O[C@@H]3CC[C@@H]3NC(=O)c3cnn(C)c3)n[nH]2)c1C 1849190759 PTZJDXHKRIAXQM-QFBILLFUSA-N 437.504 2.317 30 10 IEEE Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)o1 1850411354 JVUMJGFUKWFSGF-FQEVSTJZSA-N 426.517 2.080 30 10 IEEE CN(C)C=NC(=S)N(C(=O)CCCN1CCS(=O)(=O)CC1)c1ccccc1Cl 1852275149 IWUPSXNPCWDXSX-UHFFFAOYSA-N 445.010 2.058 30 10 IEEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C(=S)N=CN(C)C)c1ccccc1Cl 1852300064 HCOCUHGXTOFBBP-OAHLLOKOSA-N 430.983 2.362 30 10 IEEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1870158878 TVGWSAQZVAWXFU-UHFFFAOYSA-N 437.328 2.245 30 10 IEEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CSc2nnnn2C)cc1=O 1870300795 VNBQBBXKXLBDRQ-QGZVFWFLSA-N 431.905 2.063 30 10 IEEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870509942 OLQNTYNSWKPLNA-UHFFFAOYSA-N 442.535 2.399 30 10 IEEE O=C1C[C@@H](c2nnc(SCCO)n2/N=C/c2cccc(O)c2)CN1Cc1ccccc1 1874208792 OJWFQEHRPUBGRJ-ZMPUUUETSA-N 437.525 2.466 30 10 IEEE COc1cc2nc(N(C)CC(=O)N3CC(Oc4cccnc4C#N)C3)sc2cc1OC 1891923194 MQRRPBLGCLRVMJ-UHFFFAOYSA-N 439.497 2.306 30 10 IEEE CN[C@](C)(C#N)CCn1c(C)nc(I)c1I 1936399790 OOAAKFLERZAXGN-JTQLQIEISA-N 444.058 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(I)sn2)[C@@H](C#N)C1 1983275200 JKYVWXBZEIZIIQ-VIFPVBQESA-N 448.286 2.333 30 10 IEEE CN[C@@](C#N)(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)C1(Br)CC1 2085676538 MSOKLFIMXZVHGP-FQEVSTJZSA-N 442.317 2.131 30 10 IEEE N#CC1CCN(S(=O)(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)CC1 2174779351 IBZHHXIMXNGYLO-UHFFFAOYSA-N 432.546 2.344 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2174786889 OHKBVUIJYUZGQW-VQTJNVASSA-N 429.498 2.062 30 10 IEEE CC(=NO)c1ccc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 2187517449 YIOMCOZWISICCY-UHFFFAOYSA-N 429.498 2.381 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255342484 XAJUKESGMDJVKX-JKSUJKDBSA-N 433.358 2.309 30 10 IEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255659571 UJPZNKNQBBWMJU-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255811802 DANHKBVBURQNGV-AAEUAGOBSA-N 430.232 2.250 30 10 IEEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256622741 LFARUGBMGDUPPR-OAQYLSRUSA-N 435.330 2.249 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)n1 2267185573 XDRYEHOSJPTBRF-UHFFFAOYSA-N 437.349 2.420 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267497194 KBPPFXDWHPTNJT-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267510892 SUIMYFNNBATAGU-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2267513224 UONYQJQACBNWPC-GBJTYRQASA-N 446.357 2.131 30 10 IEEE Cn1cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267525040 YVUZYORXPPHNJF-QFIPXVFZSA-N 448.373 2.143 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2269712260 YSVFVTICWIPDHC-HZPDHXFCSA-N 443.353 2.284 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2298173231 ZWUNGAFSNITLOU-YCRNBWNJSA-N 428.533 2.153 30 10 IEEE C[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2300339840 KKCZILCATZQIKL-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE Cc1c(C=C2SC(=S)N(CCCC(=O)O)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 2314457368 GRAODYINFSGHHN-UHFFFAOYSA-N 446.554 2.232 30 10 IEEE C#Cc1cnn(C2CN(C(=O)[C@H](CN(C)Cc3ccccc3)NC(=O)OC(C)(C)C)C2)c1 2317275882 SCYZBORBAXNUPN-NRFANRHFSA-N 437.544 2.273 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2)cc1OC 2326738691 SOTCZIQYKPUTSA-UHFFFAOYSA-N 427.486 2.051 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337198292 IDCLRCLCXOVMQI-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE COc1ccc(/C(C)=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)cc1 34258168 NLDXYUVAUYYFEI-LGJNPRDNSA-N 436.447 2.455 30 10 IEEE CCCCNC(=O)NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 59466648 ZBKBVDMICAVSMP-UHFFFAOYSA-N 445.457 2.456 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)CC1 108935916 UMGZVVKYJLFFLT-UHFFFAOYSA-N 433.350 2.159 30 10 IEEE N#Cc1cccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)c1 169757583 WSVYHCHRBAUCEK-HXUWFJFHSA-N 431.558 2.424 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 238863142 LDMZVIAKNGNFCR-QGZVFWFLSA-N 443.529 2.062 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 303512158 CKXVAJJGJQYFKT-IFMALSPDSA-N 438.553 2.076 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CCOC)[C@@H]1CCOC1 460928758 PIRMBHHKFZHDDZ-GOSISDBHSA-N 449.577 2.013 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4snc(C)c4C#N)CC3)CC(=O)N2C)cc1 461190750 NVLIWTFNFAVSOP-YLJYHZDGSA-N 439.541 2.200 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 468732836 FYBUDACIINNVQG-MRXNPFEDSA-N 441.513 2.229 30 10 IEEE Cc1nn(C)c(N2CCN([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)c1C#N 472098123 QAKTWWDYIFLNLL-QGZVFWFLSA-N 446.433 2.073 30 10 IEEE N#CC1(CS(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCC1 477577281 FYQJYDXCCWAVGV-UHFFFAOYSA-N 431.605 2.078 30 10 IEEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481052643 QKKZRPPTUZDFAG-QGZVFWFLSA-N 445.516 2.447 30 10 IEEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)nnc1-c1ccco1 481889303 GQAJASPUXXBPEL-INIZCTEOSA-N 445.545 2.102 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2c3ccccc3C[C@H]2C(N)=O)CC1 491529147 BCWKXXFZJLDHKI-SFHVURJKSA-N 431.452 2.466 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)ccc1F 497971045 YIGLYHYHVFVWMP-MRXNPFEDSA-N 438.278 2.322 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 508884516 HWZRQLBNTMNZLB-IBGZPJMESA-N 426.565 2.365 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sccc2C)c1=O 522674042 LXPIGJMVZIAFSQ-UHFFFAOYSA-N 430.551 2.105 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccc(OC)cc3)cc21 526835696 JQXKMHZVPAHMGF-HKBQPEDESA-N 442.493 2.177 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(-n2ccnn2)cc1 540592942 WEINWCLLKMBZBB-YLJYHZDGSA-N 435.557 2.388 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCOC2)c1 549704519 OYJVZZMVRZBUPE-IBGZPJMESA-N 440.511 2.447 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1Cl 549984962 RJSBUZIFZPROLG-UHFFFAOYSA-N 434.861 2.267 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 555285397 FQEYZYDFMTZQCU-QZTJIDSGSA-N 444.605 2.393 30 10 IEEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 561041940 GAQXLBTVEGSLKU-KRWDZBQOSA-N 426.560 2.193 30 10 IEEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 564630036 LSVDFIMIZBODAC-QGZVFWFLSA-N 442.512 2.109 30 10 IEEE C=CCn1c(-c2nn(CCCCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 564758903 JMXLUPVQUKKSCB-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 578250045 NWJAIPGANPKAHX-SIKLNZKXSA-N 433.508 2.104 30 10 IEEE Cc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831159 PSJYDYLLCULFGL-VYDDHJHFSA-N 445.519 2.356 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CCc4nnc(C5CC5)n4C3)c(C#N)c2N)cc1 590070564 IRIHSFNDEMXCQK-KRWDZBQOSA-N 444.543 2.415 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2cccc(Cl)c2)cc1 609168950 OMLJXJKPVYIWEV-QGZVFWFLSA-N 428.901 2.482 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 609815462 LEYPIGJTANHPIL-UHFFFAOYSA-N 436.468 2.448 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)NCCOC)CC1 619832968 DWBMXOKYAYOBBC-UHFFFAOYSA-N 428.493 2.408 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CC2)nc1 727343123 ZMZSRTBVOKMXNA-UHFFFAOYSA-N 439.419 2.041 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742213876 PVAYIZSVLNYDIW-RNYUXSHZSA-N 429.590 2.076 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccnc2)c1=O 743728262 MXDQVDLJUQSEFX-UHFFFAOYSA-N 436.562 2.185 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1 750032623 NQTIKNFRHFDJMM-IBGZPJMESA-N 445.472 2.252 30 10 IEEE Cc1c(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)cccc1S(N)(=O)=O 754332424 TXWMAAULQFEZQA-UHFFFAOYSA-N 435.889 2.400 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 758634766 HXFCMZMLEAMJOB-WOJBJXKFSA-N 446.596 2.339 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cn1 764744092 AXMFVYRUJGNDNP-INIZCTEOSA-N 440.847 2.419 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2cc(C#N)ccn2)C1=O 766958617 WWMWPKSKHRMQGM-SFHVURJKSA-N 428.246 2.121 30 10 IEEE COc1cccc2c1nc(NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)n2C 771648444 UNZDBJICSCNQRT-GFCCVEGCSA-N 427.486 2.038 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)[C@@H]1[C@H]3CCCO[C@H]31)CCCC2 780123519 URTMWFBUIBAJBI-BUBGVCCWSA-N 427.501 2.324 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)n1 788368953 CNXJGCRCGMHKIE-OAQYLSRUSA-N 429.908 2.043 30 10 IEEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 790703582 YZSACBVLSOAUSK-QFBILLFUSA-N 430.574 2.497 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(F)cc1Cl 795924149 GHJWGOQHRSIQPP-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)cc1C 802351497 HHRVQEFGXAVWMR-LJQANCHMSA-N 434.500 2.295 30 10 IEEE N#CCOc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cc1 804987328 UDHWPIWXOZZHOX-UHFFFAOYSA-N 434.417 2.361 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 806230194 FIIMSLSAVPLUMO-HXUWFJFHSA-N 440.569 2.379 30 10 IEEE COC(=O)CCCONC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 808819644 GWPPGGCANTYDAV-OQKWZONESA-N 440.522 2.286 30 10 IEEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 811139636 FAGGMXDLGRQBML-UHFFFAOYSA-N 446.529 2.339 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[C@H]1c1cccnc1 819636856 KEJQXHHHUATHAM-WDSOQIARSA-N 426.542 2.455 30 10 IEEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777605 MFFLLTAXLKVXFG-LJQANCHMSA-N 446.504 2.311 30 10 IEEE CCOc1ccc(C#N)cc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1125426200 UZCNASHAJGHREL-QVKFZJNVSA-N 449.529 2.177 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc([C@]4(C)NC(=O)N(C)C4=O)cc3)CC2)o1 1130435350 JPKUWAFZRSNDMK-QFIPXVFZSA-N 436.472 2.107 30 10 IEEE CC(C)(C)Cc1nc(-c2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2)no1 1134276093 RHRNFYMTCWVTOX-KKSFZXQISA-N 428.514 2.336 30 10 IEEE COc1cc(N)c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1Br 1137537861 YPAMHMKEPJUHQV-LLVKDONJSA-N 431.294 2.052 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1138049332 UDTHDKTWEVLPFA-UONOGXRCSA-N 441.916 2.264 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1=O 1139684064 MYBLBYINBZTLKS-HSZRJFAPSA-N 444.532 2.475 30 10 IEEE N#Cc1c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)[nH]c2ccccc12 1141675431 MZIWUGSTPLJRSA-UHFFFAOYSA-N 438.509 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](O)COc3cccc(F)c3)C2)C1 1150090710 SLZGZPIIFYOUOL-FNKIUMDLSA-N 447.507 2.468 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1152974883 WJQCKRRVPBVGQB-FQEVSTJZSA-N 431.945 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](S(C)(=O)=O)CC3)C2)C1 1155508189 ZAXZLNZPKIPRGM-GWWPLSDWSA-N 439.578 2.199 30 10 IEEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286346304 RJVCIGFRDSHHAH-UHFFFAOYSA-N 431.544 2.117 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCCC1=O 1286379315 NIRFBFDLTRFXNL-UHFFFAOYSA-N 431.544 2.380 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1c(CC)nn(C)c1OC 1286416240 KZYMKCIMYYCNHL-UHFFFAOYSA-N 436.491 2.422 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CC=CCC2)CC1 1286469179 BGRSOGKBKHQQDG-UHFFFAOYSA-N 447.587 2.164 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](COC)OC)CC1 1286471233 HTRUSJDMNXAKDS-NHCUHLMSSA-N 441.576 2.452 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286499409 RBBLNJYQQSWMLE-NQIIRXRSSA-N 436.585 2.340 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1286620270 ICGAHXASWWBXOB-CYBMUJFWSA-N 430.987 2.029 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)CC1 1286665230 WUKOJICTZXDAQS-UHFFFAOYSA-N 448.369 2.462 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 1286767565 ATCIELQPTBHPHV-GHTZIAJQSA-N 438.576 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1286816426 KXOGMGWFJKSXSG-SFHVURJKSA-N 434.562 2.416 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCCC2)CCOC1 1288321979 NJIXSQQZDGPUNW-SIKLNZKXSA-N 433.553 2.397 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1291217826 IWXTWUVKCARAQB-QIMMGWNBSA-N 431.500 2.435 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)OC)c1 1300330485 AXYLUQCIHQJXDE-SBUREZEXSA-N 441.532 2.021 30 10 IEEE COc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)NC(C)(C)C 1300392786 KFCXKRUSNRKXDT-SFHVURJKSA-N 445.541 2.449 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC(F)(F)CO1 1300471406 ARYPHQDNHYXYCX-HXUWFJFHSA-N 444.530 2.136 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1(C)C 1300838363 KSQJRIOUMYVQEB-WZONZLPQSA-N 438.532 2.068 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1300915821 QTJPSWVXXBJOMB-INIZCTEOSA-N 428.624 2.495 30 10 IEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1301149798 GLISDEOCRAOUAX-HNNXBMFYSA-N 445.593 2.152 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301165898 MJRNSIZVZZWSGQ-UXHICEINSA-N 445.589 2.224 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nccs1 1301424235 IFPXCZVJJVDFDE-HUUCEWRRSA-N 425.580 2.079 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301615604 QIGVHJSGYOTQAL-LJQANCHMSA-N 425.562 2.495 30 10 IEEE CCn1c(=O)nc(O)c2c(C(=O)N3CC(Nc4cccc(C#N)c4)C3)cc(C(C)C)nc21 1301634509 YRUYMNLOQWFEDB-UHFFFAOYSA-N 432.484 2.449 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1301934836 BZHPURRSMKXZFX-INIZCTEOSA-N 426.521 2.259 30 10 IEEE C#CCC1(NC(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CCOCC1 1310564643 ZBJCHZWYPGCPII-UHFFFAOYSA-N 444.536 2.228 30 10 IEEE CN(c1cccc(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1)S(C)(=O)=O 1313399894 NVRGQMBLPPXECL-GOSISDBHSA-N 442.545 2.135 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(-n2cccn2)c1 1315033170 FYUSFUGBUFLRFU-UHFFFAOYSA-N 441.499 2.018 30 10 IEEE N#CCC1CCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1316536131 MLOSLCVYVRPSND-IBGZPJMESA-N 435.532 2.182 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C)[C@H]3c3ccc(F)cc3)CC2)c1C#N 1320985199 ZFGOTOIDDHXEEC-PMACEKPBSA-N 425.512 2.016 30 10 IEEE CC(C)Cn1cc([C@H]2N(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC23CCOCC3)cn1 1327090093 OPQIXSPFIRLENY-SADKCHQCSA-N 441.532 2.136 30 10 IEEE C=CCN(Cc1cccs1)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1353295972 ZAKHNRDPBQESFI-UHFFFAOYSA-N 427.569 2.395 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1358920760 HJQWTAKMWHJNRO-QZTJIDSGSA-N 427.553 2.337 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358959337 GYBRCYIKCPBYFT-HOTGVXAUSA-N 434.949 2.404 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1358964598 BZSFCNPUCMJKQZ-GOSISDBHSA-N 441.582 2.195 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1359030013 MGDLFPRVRNDFNJ-XXBNENTESA-N 433.597 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(O)cc2)CC1 1359046251 KHCYTDQRXPMQBK-UHFFFAOYSA-N 444.539 2.178 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359227523 DCPRVVDMFJCIBJ-HNAYVOBHSA-N 431.487 2.455 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccn(C)n2)C1 1359313023 FRUFTSHOJJFTOG-UGKGYDQZSA-N 430.553 2.076 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359343683 YLLBOCMGXVXEKV-QUCCMNQESA-N 434.654 2.385 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1360475889 FNZCHTOEFMRJBQ-NVXWUHKLSA-N 431.562 2.194 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1360798362 HVUNMULEKIBYGA-VGSWGCGISA-N 437.479 2.085 30 10 IEEE Cc1nc(=NC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 1361055775 RACZPFKGIBHRJI-DOTOQJQBSA-N 428.468 2.403 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)C(=O)OCC 1438405266 XJFNTJMVQDYOBN-SIFORAMQSA-N 427.929 2.314 30 10 IEEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1452498973 MSCGSXFXIJPPBN-GOSISDBHSA-N 429.484 2.099 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1456290969 KZILNNRMZSZECT-JEJOPICUSA-N 446.475 2.277 30 10 IEEE N#CC1(C[C@H](O)CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCOCC1 1459433920 MLUPMYADXOTDJF-HNNXBMFYSA-N 448.010 2.169 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cc(C(=O)OCC)cn3)CC2)c1 1468198775 PVOYMWBRGQZFOE-UHFFFAOYSA-N 446.529 2.001 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cs1)C(N)=O 1471225918 DSVNQAUYNPEREH-GFCCVEGCSA-N 433.534 2.011 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1479061645 VKCVKIQIVIQTBL-ZWKOTPCHSA-N 438.569 2.010 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCCN1CCOCC1 1507675432 DOSAMOVOYUTBHT-UHFFFAOYSA-N 425.508 2.181 30 10 IEEE C#CCSCCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1507758352 MPVGSJGISWGNHR-RLFYNMQTSA-N 448.511 2.453 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1507839718 IHZFEDXBHGOQJK-UHFFFAOYSA-N 446.983 2.449 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1507868344 IDIAIFRCNAXGOB-MRXNPFEDSA-N 444.001 2.065 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507875551 TZCVZFUIFJCSNI-XLIONFOSSA-N 425.961 2.424 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507878104 SINAAHQTPPVNNS-IIBYNOLFSA-N 432.546 2.045 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCC(C)C)C1 1508094713 ZPFIMUYQZBNRBE-XLIONFOSSA-N 441.532 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1508122930 LCSRCAWOHFTOJL-BRWVUGGUSA-N 448.568 2.171 30 10 IEEE CC(=O)N1CCC(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1508207102 MACVGPYCMCGEJV-VXKWHMMOSA-N 448.543 2.019 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1508415594 CHTIXMDJBOLSKO-LPHOPBHVSA-N 439.589 2.427 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1508419777 PGACAERLZDFGEJ-INIZCTEOSA-N 449.515 2.260 30 10 IEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCS(C)(=O)=O 1509011389 HSVJAXBOBLFHSX-UHFFFAOYSA-N 430.578 2.030 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1509947526 WENYHWCIXQGBMY-JFIYKMOQSA-N 431.566 2.216 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1509950473 DFHUPCJHLDTIJK-LPHOPBHVSA-N 435.532 2.138 30 10 IEEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1=O 1514953926 PRXXVPJSONBUOZ-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnnn2C)cc1 1516301978 FZCBIONTFZEHKL-YCRPNKLZSA-N 440.483 2.436 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1516954212 RCXZZDGROKBCFL-LJQANCHMSA-N 432.532 2.413 30 10 IEEE COC1(C(F)(F)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1517869170 DTWOVPBAVAEBCD-INIZCTEOSA-N 448.474 2.208 30 10 IEEE COc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)NC(C)C)c1 1518372113 GOUQDBLUIVWIRE-UHFFFAOYSA-N 447.499 2.013 30 10 IEEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)O1 1538456128 IBZLHPQKHBWHFH-ACRUOGEOSA-N 429.517 2.135 30 10 IEEE N#Cc1ccc(NC(=O)c2ccc(I)cc2-n2cnnn2)cc1C#N 1538986770 MLCIQVUOGLTHPW-UHFFFAOYSA-N 441.192 2.263 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCN1CCCO 1539253092 LZKGFJXOMYJMMM-NRFANRHFSA-N 428.540 2.413 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1539370715 FBXLASHUDLOVLY-GOSISDBHSA-N 433.553 2.473 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1539498650 YCVBVSPPCJZANW-ROUUACIJSA-N 444.513 2.443 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1539510648 LIXCVHZFVYGCFY-CQSZACIVSA-N 425.484 2.174 30 10 IEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCCOC)CC1 1539710779 ZPNRSWBFVKPFGE-UHFFFAOYSA-N 437.548 2.072 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(-c3ccccc3)c2)CC1 1539828350 IKFJIXQPLPHPSC-QGZVFWFLSA-N 441.561 2.279 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CC1 1539887324 BOTQNWFSGGSGAK-SFHVURJKSA-N 429.546 2.106 30 10 IEEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539961571 ZTMMBCDNHJTDCV-GOSISDBHSA-N 448.593 2.260 30 10 IEEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1540155040 JKRSGYLSFOHRJI-WIYYLYMNSA-N 438.594 2.322 30 10 IEEE CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1540845360 VXSGWBPKBPECPS-INIZCTEOSA-N 442.541 2.255 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1540874000 RKMVEPRJDSUDCP-IBGZPJMESA-N 438.532 2.053 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCOC2)C1 1540882732 NQFCMKIRAOUJLP-AUSIDOKSSA-N 441.532 2.080 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1566443764 XUTBHTPWAMCYOU-UHFFFAOYSA-N 442.321 2.025 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2CCN(O)C2=O)c1C 1569560257 HYCMTJCMXZVLEL-GOSISDBHSA-N 431.514 2.441 30 10 IEEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 1583526963 SBPXNVKSNPHHAP-YWZLYKJASA-N 439.871 2.260 30 10 IEEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 1585302978 MKNAGLFDXMKQOI-HZPDHXFCSA-N 436.365 2.199 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(N2CCCCC2)c1 1588073985 GPXOUISCEPCERT-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588075157 ZHICWZLXLKPCGR-BMQTXXJKSA-N 436.578 2.104 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN(C)C(C)C)CC1 1588733015 KAQVXZMFAFILHV-UHFFFAOYSA-N 437.592 2.243 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@](C)(O)CCOC)CC1 1588750259 CCLUUIDPSJLEGZ-JPYJTQIMSA-N 445.539 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN(C)Cc2ccc(F)cc2)CC1 1588946977 JMYLLYATPZGDCT-UHFFFAOYSA-N 426.540 2.077 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 1595738419 OTUZQXZLSQBLIL-FGZHOGPDSA-N 440.592 2.402 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)ccc1[N+](=O)[O-] 1611533414 PEASHLZDVAZKPX-LJQANCHMSA-N 427.457 2.372 30 10 IEEE CN1CCN([C@H]2CC[C@@H](NC(=O)COc3cccc(Br)c3C#N)CC2)CC1 1617213538 OAMGWRQQCCPNQS-IYBDPMFKSA-N 435.366 2.374 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1618043211 MIMQZPMFWTXEDS-IHPCNDPISA-N 434.500 2.024 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1630873110 JKEVZVKDVSQBCE-ULQDDVLXSA-N 439.553 2.434 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1 1632139575 XOGRPOXSNRWCRJ-FQEVSTJZSA-N 440.521 2.333 30 10 IEEE CCC(=O)N1CCc2ccc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc21 1635924614 GWJSHFKALVXRGZ-CQSZACIVSA-N 440.525 2.442 30 10 IEEE CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464135 UFWJCCHECXEIGK-DTORHVGOSA-N 446.360 2.287 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)[C@H]2C1 1638218111 OIUDSXKGXDNJTD-CGTJXYLNSA-N 427.505 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)CC1 1638897809 KGEBNBICOMYBRO-SFHVURJKSA-N 436.549 2.169 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)nc1 1640996071 ZTFNLFKVAJEOBN-IRLDBZIGSA-N 434.496 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(N4CCOCC4)CC3)C2)C1 1641591116 JPZVDNUUDWPSIT-OTQYULQBSA-N 432.565 2.096 30 10 IEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1643888229 JFMJKLNNJZXYLH-FQEVSTJZSA-N 440.569 2.244 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1=O 1644185021 GMGTZYDUXUEGJM-UHFFFAOYSA-N 438.318 2.447 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1 1648027537 CURZLTUDPLLXIX-CQSZACIVSA-N 438.431 2.037 30 10 IEEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCO[C@H](c2ccc(C#N)cc2)C1 1648466866 QOEVPZXJQVIDTF-VFNWGFHPSA-N 436.468 2.440 30 10 IEEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1652173642 WGWBSSOVPKYNFV-UHFFFAOYSA-N 437.565 2.261 30 10 IEEE N#Cc1ccc([C@H](O)CN2CCNC(=O)[C@H]2c2ccc(I)cc2)cc1 1655783676 KAORHICEXAZMBT-QZTJIDSGSA-N 447.276 2.369 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)C1CCOCC1 1680674779 DPFNPKWBNWDWMX-JOCHJYFZSA-N 447.601 2.476 30 10 IEEE Cc1ccc(CNC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1C#N 1685192953 DXJSNWBKOCHWEJ-UHFFFAOYSA-N 427.530 2.270 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1689830655 BGUAJPFIYLPNGI-PGRDOPGGSA-N 446.573 2.252 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1occc1C 1689831487 LSTCORKRFHBEJG-WZONZLPQSA-N 443.548 2.498 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCn1c(O)nc2ccccc21 1689973907 UYVHKIWEMZZTAJ-UHFFFAOYSA-N 435.513 2.095 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@H]1OC 1689998822 XVPXNENKCUQQOT-PZJWPPBQSA-N 435.528 2.272 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(OC)nc1 1690015278 GWXRFOIVESJUOV-UHFFFAOYSA-N 425.452 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(OC)C1CC1 1690043837 PVRLGRYCBRPRHG-VWLOTQADSA-N 444.539 2.470 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1690072511 KKJIKZJFZJPALI-UHFFFAOYSA-N 436.907 2.202 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2nccn2C(F)F)CC1 1690130244 CMNCIEFPEFDHGK-UHFFFAOYSA-N 425.487 2.458 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCSC2)CC1 1690132819 XQIFBQXKZJCPJN-QHCPKHFHSA-N 441.601 2.097 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C(C)C)CC1 1692539607 GRBTULQATMOUPN-UHFFFAOYSA-N 436.564 2.446 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1694211379 COAMFSDOSBLEKX-XLIONFOSSA-N 449.559 2.323 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697209298 LFQMNXVGOPYHDN-SQJPUDIVSA-N 428.537 2.152 30 10 IEEE COc1ccc(OC)c(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1697476617 FIHDEBWMCNWKLW-OAQYLSRUSA-N 428.468 2.022 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CCO1 1697894221 NPIYSUKPSQXDPA-SFTDATJTSA-N 441.532 2.254 30 10 IEEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1705616526 BLBXRKVQTYBXQM-UHFFFAOYSA-N 430.574 2.499 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1705626430 WHRXLQVWTJQOCH-UHFFFAOYSA-N 448.527 2.427 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705661872 KSLZEIVRWWJKSI-CVEARBPZSA-N 432.550 2.233 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnccn2)CC1 1705662903 PKARKAUGGQENHA-UHFFFAOYSA-N 449.584 2.361 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705798794 BEXAWMQKLZLSNC-LJQANCHMSA-N 443.596 2.453 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705805508 ITRQLGLQUWYSEF-ROUUACIJSA-N 437.610 2.278 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705897603 POJZRFNLWQNPAI-DFQSSKMNSA-N 427.549 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)C1 1705925868 VLEACXKKVIMFCJ-WSTZPKSXSA-N 446.573 2.429 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1707754047 FJEYIDVUCSMZHR-JAOUFLPRSA-N 441.561 2.395 30 10 IEEE CCc1nnc(N2CCO[C@H](c3ccccc3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709159950 XSTAOQMFOLUCBM-XQDODVJUSA-N 436.516 2.253 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1712565044 AQYPIVNMFYGKRE-GOEBONIOSA-N 437.447 2.088 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)N2CCCCC2)c1 1712877121 BDNFWSXAMQNSOV-UHFFFAOYSA-N 449.559 2.311 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722313502 WNXODCNWMBOMFP-KRWDZBQOSA-N 430.530 2.491 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)CN1CCOCC1 1722337048 UINDZSJUZJVIRD-UHFFFAOYSA-N 442.564 2.214 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1722367423 LOXKFYVONAHURF-FQEVSTJZSA-N 444.605 2.382 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1coc(-c2ccc(C)cc2)n1)[C@H]1CCS(=O)(=O)C1 1722368199 PMXOAUVTLLAHGK-IBGZPJMESA-N 439.541 2.479 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(COC)CCOCC2)CC1 1722440455 JJEIXFCKUJCFQD-UHFFFAOYSA-N 437.588 2.262 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(F)F)CC1 1722701858 GSZBEIYUOPHBKW-UHFFFAOYSA-N 448.518 2.163 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)nc2)C1 1722709173 KLAPQDRMRCAQFT-GOSISDBHSA-N 448.531 2.216 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3Cc3cccc(CO)c3)CC2)c1C#N 1725865842 BYPKSESHRMEWMF-UHFFFAOYSA-N 448.575 2.257 30 10 IEEE COCC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1730624218 GMWJZVWJLICBME-JOCHJYFZSA-N 443.552 2.253 30 10 IEEE COCCCN(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1730692039 XYABEAYRPYOYTE-SIKLNZKXSA-N 444.511 2.201 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1740531403 LEMUZUROHAQTNF-OAHLLOKOSA-N 425.924 2.410 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC1CCCCC1 1740547930 BZQSOEMMIKNOJW-OAHLLOKOSA-N 426.521 2.303 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](CNC(C)=O)C1 1740576583 AHQFRQYTDKYOTR-OAQYLSRUSA-N 434.544 2.426 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCN(C)CCOC 1740634197 AJEIGWDSZDMDAW-UHFFFAOYSA-N 448.340 2.498 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(COC)CCOCC1 1740640179 IZHDTZRHWZDBNA-NRFANRHFSA-N 436.512 2.307 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccs2)CC1 1740692429 KNXMCZVWLOKVOW-QFIPXVFZSA-N 429.590 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C)COC2)CC1 1740707780 PKUDBEUXXFNTQX-RTBURBONSA-N 443.592 2.199 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1740709151 BDZWVNHLCXRNAF-SFHVURJKSA-N 440.573 2.228 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740792858 BCCDDIMZFPKIDC-LJQANCHMSA-N 446.621 2.385 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740985782 LTUQNQFCGJVVDW-INIZCTEOSA-N 441.598 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1740990907 JJRZRKBMLJGNOS-GOEBONIOSA-N 439.582 2.106 30 10 IEEE CCCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1745549945 PDFMCEDMWHIERB-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C 1748066852 CHZWVRMVAQVCHX-AUSIDOKSSA-N 429.613 2.328 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1748766405 PCAKQPHGQMBNRH-UONOGXRCSA-N 425.942 2.079 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2csc(CC)n2)CC1 1748978859 QQTWUNLXOOSHMP-JOCHJYFZSA-N 444.605 2.141 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1748980007 VZPJRCXSNFOAKI-IBGZPJMESA-N 438.576 2.059 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2OC)CC1 1748994985 VEDMWPGIFYGXNU-UHFFFAOYSA-N 433.560 2.260 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749355809 KBEJZXRKKRULPX-QFBILLFUSA-N 428.512 2.494 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC[C@@H]1OC 1749830279 ILWVYESBWCDBAJ-RDJZCZTQSA-N 430.509 2.187 30 10 IEEE COCCOC1(Cn2c(C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCOCC1 1750037675 UYUOYRREEWCZRI-OAQYLSRUSA-N 441.532 2.248 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1750067063 QTUOCSVHJBKEPZ-DZGCQCFKSA-N 437.957 2.013 30 10 IEEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1750387726 ZMCGBFMYAWZJHP-IAGOWNOFSA-N 442.486 2.318 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1760193154 VGJXCLGLPNRUFV-IRXDYDNUSA-N 449.577 2.312 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760228127 WBDPNJLWKNNKDB-OAQYLSRUSA-N 438.594 2.136 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760276162 VNVIFVGWELEIOJ-GOSISDBHSA-N 425.514 2.009 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1760533854 NPBTZRRDMORZIG-AUSIDOKSSA-N 443.523 2.342 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)C1 1760535326 ORWWIGUWUCLFJD-WBVHZDCISA-N 437.541 2.165 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 1760807248 DBFKCWZJUCPFGP-HMFYCAOWSA-N 434.560 2.361 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1761282002 AKWBMUAAMDDGFM-HXOBKFHXSA-N 444.580 2.363 30 10 IEEE CC1(C)SCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1761566961 IDKCAEZZZIODNG-GJZGRUSLSA-N 427.534 2.186 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 1767063393 DMONGVYRTOPPIY-IBGZPJMESA-N 438.532 2.310 30 10 IEEE COc1cc(OC)c(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1768358784 WGJFAEBDJICLCP-SJLPKXTDSA-N 443.504 2.127 30 10 IEEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1770148311 FRVHXTMUWNTAAW-HXUWFJFHSA-N 440.548 2.033 30 10 IEEE CSC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771375180 IFTIBHVPSSHJGG-UHFFFAOYSA-N 437.577 2.413 30 10 IEEE C=CCN1C(=O)/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1nnc(C)s1 1772737477 LPQPOHIPQHGXDO-KHVHXIFDSA-N 441.494 2.438 30 10 IEEE C=CCC[C@@H](C)C(=O)N1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc21 1850397530 HEPJHTOBOMVTCJ-CYBMUJFWSA-N 439.921 2.235 30 10 IEEE Cc1nn(CC(=O)N2C[C@@H](C#N)[C@H](c3ccccc3Cl)C2)c(C)c1S(=O)(=O)N(C)C 1851001854 TYXKZTLYKPRJKT-NVXWUHKLSA-N 449.964 2.169 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)CCc2nc(-c3ccccc3)no2)CC1 1852055049 JKRLZHIXMNFPHI-UHFFFAOYSA-N 432.484 2.301 30 10 IEEE C[C@@H](C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1)N1Cc2ccccc2C1=O 1852104780 RGLGQVPUXPLRTI-AVRDEDQJSA-N 449.507 2.226 30 10 IEEE Cc1ccc(Cn2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)cc1 1853219385 WSAFUSWRRJBNFI-UHFFFAOYSA-N 445.527 2.189 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2ncccn2)CC1 1854428148 RBIQDDGCZWUBGF-UHFFFAOYSA-N 426.498 2.327 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)c(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855739744 DQYMVACTXXZFBU-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE N#CCC1CCN([C@@H]2CCCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1856520479 BJQXDFOHRDXKOX-MRXNPFEDSA-N 439.484 2.440 30 10 IEEE COc1ccc(C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)CC#N)C2)c2ccccc2)cc1 1856982988 DLEYYNVCVWNJRH-WOJBJXKFSA-N 430.482 2.034 30 10 IEEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(CC(C)C)n(-c2cccc(Cl)c2)n1 1860948965 AEERPTIKVIJMAO-SFHVURJKSA-N 445.951 2.390 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862737842 MSQRUIIUCMMMOJ-APPDUMDISA-N 427.369 2.462 30 10 IEEE C#CCOc1cn(CCCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870559554 HAFLQLNDTUPTMR-UHFFFAOYSA-N 425.529 2.228 30 10 IEEE Cc1nnc(SCC(=O)NC2CCCCC2)n(/N=C/c2cnc3ccccc3n2)c1=O 1873495089 MDSQTNDCMWNVCB-FSJBWODESA-N 437.529 2.313 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccc[nH]3)CC2=O)cc1 1874200850 MDEUMJIHUHITOF-OFJBCHTGSA-N 426.502 2.102 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 1891069707 JRZKGNCQXBGVBT-UHFFFAOYSA-N 442.458 2.113 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1896047758 ZCUJYLSGLGHXOO-OWCLPIDISA-N 427.542 2.332 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1909082334 OYNDVAANCCWGNC-ILXRZTDVSA-N 441.525 2.425 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 2011920737 XSTZNBZWUDUZAZ-CVEARBPZSA-N 439.553 2.334 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2023134660 QXEWYQWPCOAQOT-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CCN(c1ccc(C#N)cn1)C2 2059818129 CFHVBRWYDFUHAM-IBGZPJMESA-N 443.511 2.314 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060636501 YPOPGECFZXYFQE-QGZVFWFLSA-N 434.342 2.142 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124521617 IWVGNCVFNGSZMH-KRWDZBQOSA-N 448.369 2.266 30 10 IEEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCCO 2186655962 CCMNBLDYGZHWPY-HNNXBMFYSA-N 446.550 2.149 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2195348884 YBRKXTHMPIPCPF-GOSISDBHSA-N 434.445 2.382 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2252816267 NKNVDEQQFKEMLK-ZDUSSCGKSA-N 426.294 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255530261 RJIMANQFHZBTJU-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255636874 AQCJJXORUHNSDM-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CC1 2256620679 LFDRZBWMXWYMDG-KRWDZBQOSA-N 435.374 2.376 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267126678 CVWLRPNEJOFITL-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267127205 QAEROVXUZAVFSS-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 2267182746 IYCAHFOXDRVCFF-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE CCCN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2267502255 LBKXYAKMLVOZOI-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267503965 LRMFHHBRAABRHQ-CABCVRRESA-N 448.373 2.143 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267871509 BLDPWDFTYWLCDN-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2269719384 SCCIXVIQMHENPR-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3cc(Br)cnc3C#N)O[C@H]2C1 2279767352 VKUVSXPUUZNVPZ-RCBQFDQVSA-N 440.294 2.498 30 10 IEEE COc1ccccc1[C@@H]1C(=C(O)c2ccc3c(c2)OCCO3)C(=O)C(=O)N1CCN(C)C 2296933380 IPKUMHKOJARVEQ-OAQYLSRUSA-N 438.480 2.450 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc[nH]1 2325920928 HLAIXCKQAUAKRW-MRXNPFEDSA-N 438.513 2.270 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2327901968 DJDLMQZGKGJHOY-AWEZNQCLSA-N 432.506 2.267 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(C#N)cc1Br 2335426344 QEBBYWXTCNNLBA-CYBMUJFWSA-N 446.323 2.197 30 10 IEEE COc1nc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787845 GYGZLSHNOYSIQT-OLZOCXBDSA-N 443.275 2.283 30 10 IEEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)NCCc3ccc(F)cc3)n2N)cc1 20917321 AELJWCUMVAALHA-WYMPLXKRSA-N 427.509 2.336 30 10 IEEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OCC(=O)N[C@H](C)CO)ccc2C1=O 208871996 ISDMRJLFXUEZDQ-RTYWOJFRSA-N 443.452 2.204 30 10 IEEE COc1ccc2c(c1)[C@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 431203926 RHGNFTFVAKTASG-LJQANCHMSA-N 425.510 2.130 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 460707215 CUPVGHYFCDMMBU-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE CSc1ccc(N2C[C@@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2=O)cc1 471682429 IFPXAFALMKNZPX-INIZCTEOSA-N 438.557 2.024 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2sc(-c3ccc(OC)cc3F)nc2C)CC1 501548270 FIMZRNDPGQNIDY-UHFFFAOYSA-N 432.521 2.326 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)C2=O)cc1 506621485 RTXSJMOGNQMAMF-FQEVSTJZSA-N 449.515 2.131 30 10 IEEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 506963347 RGVWTKNELOBKAZ-UHFFFAOYSA-N 444.444 2.411 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 507820968 AVPYNGVHMYTOBE-UHFFFAOYSA-N 427.526 2.121 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCc1ccccn1 531370305 KWVRNIVYBZBPIK-UHFFFAOYSA-N 446.557 2.353 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 539764442 ABGIUUJCAMIMAK-RTWAWAEBSA-N 435.576 2.343 30 10 IEEE CCS(=O)(=O)NC1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541105702 JUCSUJGWFXAJPA-UHFFFAOYSA-N 436.925 2.333 30 10 IEEE N#Cc1ccccc1N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 542750089 FUHSRNYBGWGNQU-UHFFFAOYSA-N 436.537 2.295 30 10 IEEE Cc1ccc([C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)N2CCOCC2)cc1 545510759 RUODEJXINLEXJL-QFIPXVFZSA-N 434.544 2.167 30 10 IEEE C=CCCCNC(=O)C(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 550820752 NONHEGYAJOTXGM-UHFFFAOYSA-N 425.508 2.246 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 553289889 REVFPPNDJLNUCT-HKUYNNGSSA-N 441.551 2.115 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 562874545 UARFGVRNPSKHND-HXUWFJFHSA-N 442.541 2.138 30 10 IEEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 576840701 MPNZQGNQUDAEAO-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 610810857 RUDXTSXODGPPCG-MOPGFXCFSA-N 440.569 2.348 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 618890309 GACFVSARQPFMGG-LJQANCHMSA-N 427.530 2.103 30 10 IEEE C=C(C)[C@H](CO)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 677131661 QUBHPLFBNWSVHH-IBGZPJMESA-N 445.566 2.316 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729668689 BYFLRDLEUZZZJF-UHFFFAOYSA-N 440.594 2.429 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cnn3ccccc23)c1=O 729671187 QUASXXBMGLHDPQ-INIZCTEOSA-N 438.553 2.102 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCN1C1CC1 732706058 CXERMAGBNAKIRP-LJQANCHMSA-N 449.486 2.144 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(NC(C)=O)c1 733200602 GPOBRTFTSZIENI-QGZVFWFLSA-N 436.497 2.419 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H]3CCCC[C@@H]3C)n(CCC)c2=O)cn1 735069615 XTBJBLQRZCGKPR-LPHOPBHVSA-N 441.601 2.124 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(CCCc2ccccc2)c1 737304867 CTNLUOXCTFRJAL-FCQUAONHSA-N 446.507 2.443 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3CN3CCOCC3)ccc2c1=O 747992352 PXSSUVGUOSBLLW-QGZVFWFLSA-N 428.558 2.198 30 10 IEEE C=C[C@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757471227 PNPNHDJZUSXMQP-QVKFZJNVSA-N 438.480 2.422 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 761039109 XIWOIMKBVXNSIZ-SFHVURJKSA-N 429.521 2.018 30 10 IEEE C#CCN(C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 765017114 YTIAGGFCFHLWPP-FUHWJXTLSA-N 426.579 2.309 30 10 IEEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)c1 790022676 XMOYWCACHBVDHA-QBIMZIAESA-N 434.562 2.112 30 10 IEEE C=CC[C@]1(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CCCN1C(=O)OC(C)(C)C 790662191 LBKMZGLITQDEHR-LJQANCHMSA-N 426.539 2.212 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)ccc2OC)N(CCCn2ccnn2)C1=O 792771437 HTOUCAVTUGPYMN-HNNXBMFYSA-N 436.925 2.098 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 796915725 HAOIENRBFCBYHI-IEBWSBKVSA-N 432.521 2.438 30 10 IEEE COc1ccc(C2=NN(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)[C@H](c3ccco3)C2)cc1 798740264 OTPBCSUGWHCZBT-KDOFPFPSSA-N 448.439 2.233 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C 800900235 QNNPOQFJWKQCGT-INIZCTEOSA-N 425.555 2.277 30 10 IEEE COc1cc2c(cc1F)CC[C@@H]2NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 801182273 JTOKBAKCLCJFKC-SJCJKPOMSA-N 431.489 2.455 30 10 IEEE CC(=O)NC[C@H]1CCn2ncc(C(=O)O[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)c2C1 803835991 AJOUCYSHPPWPRM-CCECRFFPSA-N 443.548 2.058 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 810088075 SCQDWARADLQDFU-YVMONPNESA-N 432.527 2.020 30 10 IEEE C#CCNS(=O)(=O)c1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856568370 XQDWBPDSHGXTMY-QGZVFWFLSA-N 428.514 2.154 30 10 IEEE Cc1cc(F)ccc1NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1083860623 KQJURVVDACHGHA-UHFFFAOYSA-N 446.512 2.235 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccccc3)n2N)c1 1084209951 BADYULGFUBVMQD-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1)Nc1ccc2c(c1)OCO2 1084268848 PPNNZXXDYGGDJR-UHFFFAOYSA-N 428.430 2.121 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1C 1126474414 OSCABEJDODVRBG-UHFFFAOYSA-N 425.489 2.395 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CCN1C1CC1 1132430662 FIEBUQZYHQXEPO-GFCCVEGCSA-N 435.713 2.496 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F)c1cc[nH]n1 1142303276 DZMQAKARHMJSBD-LBPRGKRZSA-N 442.394 2.296 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)c1 1144281313 MNINABPDRHOCJK-URVUXULASA-N 441.601 2.365 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)CC1 1149432905 SMFYPEDCZGAAKG-UHFFFAOYSA-N 428.514 2.078 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C(=O)OC 1151604505 MEWIBWBQMWMJFZ-CQSZACIVSA-N 440.237 2.370 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1C(F)(F)F 1175974604 VJYFJIOVEVNZBD-GJZGRUSLSA-N 431.459 2.277 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@]2(O)CCS(=O)(=O)C2)cc1OCC 1178730731 GWQBDSKEWIRYQH-QGZVFWFLSA-N 434.352 2.052 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1180367427 GVZVLZPTXXYHIL-SFHVURJKSA-N 440.504 2.034 30 10 IEEE C[C@]1(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@]1(F)Cl 1230577095 KORCVMWJPGXJTI-ZWKOTPCHSA-N 428.917 2.279 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1266808957 HWIYANDGBCFBNA-NXHRZFHOSA-N 434.374 2.260 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1280419879 GGXXGMPKQVSOBS-QGZVFWFLSA-N 444.557 2.089 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286299168 BETSXSQFTGQCLO-IEBWSBKVSA-N 431.548 2.223 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)c1occc1C 1286369223 HWFQVDHUJDPXDQ-UHFFFAOYSA-N 445.483 2.385 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCc1n[nH]c(C)n1 1286459084 HWEFEOAHQFFFBI-UHFFFAOYSA-N 444.337 2.463 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1286474155 CODSAQCNMBXHQG-SFHVURJKSA-N 425.533 2.144 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(C)ccc2OC(F)F)CC1 1286480645 ONCXWESIDPRPNZ-QGZVFWFLSA-N 431.487 2.495 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286547135 NHEPTDZDFSOUBR-SQNIBIBYSA-N 425.599 2.148 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1)S(C)(=O)=O 1286975862 CWMHLWISTLSKIY-LRAJWGHMSA-N 431.562 2.236 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2([S@@](C)=O)CC2)CCOC1 1288313251 RTSQIVQDVHFTEA-MTSYXCJWSA-N 435.594 2.360 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)C1 1288975867 RYOMYRAUFNQUGR-FQEVSTJZSA-N 441.927 2.298 30 10 IEEE Cc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1289761654 AJCIXDSJNHDAON-WWMYMODYSA-N 447.536 2.398 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 1290832567 NFPVIOGDMDYZQW-IBGZPJMESA-N 428.533 2.319 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1293033220 VYTYRDYOTBTYPS-GHNGSUTGSA-N 447.333 2.229 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1298344863 YEUGVAFPTOEGOP-GCJKJVERSA-N 426.496 2.273 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1299573285 CVCPVPAHAGBRQD-SFHVURJKSA-N 440.548 2.458 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300413543 XLXDEIHDGCTJML-GOSISDBHSA-N 427.516 2.054 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(SC)CCN(C)CC1 1300471496 DTZVOAFVUXUBPZ-UHFFFAOYSA-N 432.619 2.166 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCC[C@H](C)C1 1300544703 CJCCRZQFOHFQQT-OALUTQOASA-N 438.601 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](CCC)OC)CC1 1300699909 JMIUUTIRPIRVLE-NQIIRXRSSA-N 425.533 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1300779091 OQOHBGLXLYCYNR-HSZRJFAPSA-N 437.548 2.030 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](C)C1 1300876253 RQTQCIKZFGMSTB-XDNAFOTISA-N 425.599 2.496 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301046849 FGZMAJQPVWFUPD-FXAWDEMLSA-N 442.539 2.491 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 1301132323 IRJYDKJZNRWOOQ-BJKOFHAPSA-N 448.519 2.431 30 10 IEEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301151726 PWKMTMFZEPOJKG-UHFFFAOYSA-N 430.597 2.350 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301506018 FIAYSVAOVGOSNT-LJQANCHMSA-N 439.560 2.254 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]2c2ccccc2)C1 1301538718 KLBSFILXPSMDFX-GTAWCEEGSA-N 445.589 2.473 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1301557228 NQFZBRVVYDSNAP-UYAOXDASSA-N 443.523 2.061 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC1CC1 1301585204 IIEAUOLUDRDJNO-UHFFFAOYSA-N 442.545 2.431 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301617820 JEYRGOPFGRMKTF-QFIPXVFZSA-N 445.637 2.360 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)cc1 1302148901 IESZFYLSUFMJJG-MRXNPFEDSA-N 435.908 2.399 30 10 IEEE C[C@H]1Cc2cc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccc2N1S(C)(=O)=O 1302585095 DCSPIRSCWFFKHJ-HNNXBMFYSA-N 442.516 2.370 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1303360202 MBICRIQUUABRKR-HTAPYJJXSA-N 430.553 2.275 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1C(=O)N1CCC[C@@H](O)C1 1303419967 ABIQQVGESWOMRA-GOSISDBHSA-N 446.511 2.386 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1305852361 VSJIBDPQBGHBHZ-NRFANRHFSA-N 443.573 2.383 30 10 IEEE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1313553116 BWNTYFNYAKSJBK-UHFFFAOYSA-N 435.576 2.293 30 10 IEEE CCOCCn1c(-c2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314483874 CKKADOVGAGFYKL-UHFFFAOYSA-N 438.511 2.361 30 10 IEEE COCC1(C)CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1315829414 YIYFCEWOBYTTKP-ZCXUNETKSA-N 430.553 2.355 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)CC 1358941450 KPBWMTSKEMUWKV-UHFFFAOYSA-N 429.315 2.351 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1358959297 GGRZLXAXVZMCIO-HXUWFJFHSA-N 429.590 2.304 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358961978 HXGJQPPWFCVJNN-QUCCMNQESA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1NC(=O)CC1(C)C 1358971240 NFSFEERLKLTOOI-INIZCTEOSA-N 443.349 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1358991586 HLLMRMRXKNWVOL-OAQYLSRUSA-N 445.527 2.173 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1359009141 JCYWFLDMFGVEGR-IEBWSBKVSA-N 433.553 2.082 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359091117 JGAYXLBXPCQZQA-QLDGJZPUSA-N 449.552 2.014 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359226880 OVTBCBBNZUQIFJ-IBGZPJMESA-N 432.569 2.103 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1359289312 UQGYSNDOMFKKOS-KRWDZBQOSA-N 430.578 2.158 30 10 IEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359337916 FTKHUIPNBXZZFB-QGZVFWFLSA-N 428.562 2.429 30 10 IEEE COc1ccc(-c2nc(C)sc2CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1439800817 JUUKRCROPFBRLS-MGPUTAFESA-N 431.539 2.066 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)[nH]2)c1 1445869101 ZUFYDAWESLEHIK-HNNXBMFYSA-N 441.538 2.166 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C 1452936717 QVNPVUMSYBQZKW-DLBZAZTESA-N 437.581 2.016 30 10 IEEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1452967335 BNLQLYYLAMDTIP-NRFANRHFSA-N 440.569 2.268 30 10 IEEE Cn1nccc1[C@@H](O)C1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1453958904 VKFCWHNWCQWLPR-FQEVSTJZSA-N 430.530 2.083 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NC[C@H]1CCCN(CC#N)C1)Cc1ccccc1 1457668629 DFPFSNNBAGSHGC-OAQYLSRUSA-N 443.592 2.365 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)c(=O)c1C#N 1457780167 OSTKRLWMENPETO-HIFRSBDPSA-N 430.258 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2C(=O)OC[C@H]2C1 1465793424 RHVZFBUXNYTIQG-SJLPKXTDSA-N 426.473 2.056 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C2)nc1 1468541099 PLLIOEZZCWLUSY-LBPRGKRZSA-N 432.234 2.500 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)OC(C)(C)C 1492909988 ZKFWRYZWVHKRAH-UHFFFAOYSA-N 426.525 2.095 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1501566468 GIFJJQJDIRIDGX-IBGZPJMESA-N 439.545 2.035 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)F)CC1=O 1504898985 BMTTYOHNMNQCNH-INIZCTEOSA-N 432.475 2.403 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1507639300 XHAOHAVWNCOTNY-QGZVFWFLSA-N 431.500 2.343 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(C)ccc12 1507652937 KJFMRKHDOHMQFV-LJQANCHMSA-N 435.553 2.285 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCOC1 1507700542 SETWIWQZLDDFKR-FUHWJXTLSA-N 449.552 2.094 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507725190 QSBLAZSEUZBXPN-GOSISDBHSA-N 441.580 2.294 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCn1cc(Br)cn1 1507759350 GDACSVXAFRUNAQ-LJQANCHMSA-N 448.369 2.458 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507830927 OTWZYNLQYCZKFX-IBGZPJMESA-N 426.496 2.351 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1507936378 DASRXLVEBBXUQQ-HNNXBMFYSA-N 430.940 2.495 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1507965202 QAXYUVOFUJGSKK-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1508105545 SAJYJINNJVCQQA-SFHVURJKSA-N 433.516 2.311 30 10 IEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1514389934 RSXYJWDENUDSTI-WMZHIEFXSA-N 438.532 2.212 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)c1 1526859656 ARQZCIRJAQPTOL-JOCHJYFZSA-N 445.519 2.022 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1534809774 ZLWWSHMYPQYGBE-KRWDZBQOSA-N 442.516 2.101 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1539003816 QPOSXKSIXDZTFR-MRXNPFEDSA-N 426.521 2.256 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1539078906 IBTYGJOWWRIVSD-UHFFFAOYSA-N 433.564 2.368 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539124665 HEVBHNRLHYMZLI-APWZRJJASA-N 430.530 2.217 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539220248 QWYGDRRPLHZEIU-PMACEKPBSA-N 435.638 2.368 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1539412617 AXZDGJMXFZOBKP-IAGOWNOFSA-N 436.516 2.231 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(C)[C@@H](C)CC)CC1 1539434413 LISVZTOBEKYUFF-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539437433 ABLWKGUXBRBNMU-NHCUHLMSSA-N 447.587 2.071 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1539632724 TUDWJRORSJEZFX-HZMVEIRTSA-N 426.608 2.103 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539779265 RXXQNBIQXNOJOT-MRXNPFEDSA-N 428.965 2.338 30 10 IEEE C=CCCOCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1540042052 KLANWYSUPYZDNJ-UHFFFAOYSA-N 432.613 2.303 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1540870148 GBXVBQRGUDJTAD-AWEZNQCLSA-N 429.443 2.170 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCS(=O)(=O)C1 1541111120 FQNUUIWKRWDJJE-IRXDYDNUSA-N 439.545 2.161 30 10 IEEE CC(C)OCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1541749107 FHWKXTZWYIWUKO-GOSISDBHSA-N 447.561 2.283 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1547700386 HYISDRVZNBEKDF-MBSDFSHPSA-N 436.539 2.285 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1555892115 HNNUEYRIGLJZED-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE C=CCC[C@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1556586176 OSVSBNQPDRMDEN-QGZVFWFLSA-N 428.346 2.149 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)CCOCC2)c1 1557538505 DKXHGCMOELNYAA-UHFFFAOYSA-N 431.489 2.188 30 10 IEEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CC[C@](C)(C#N)C2)c(=O)n(-c2ccccc2)n1C 1557620021 OFTUQSOEHYYTSV-OPAMFIHVSA-N 441.557 2.307 30 10 IEEE Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1558465108 WZIJYCQIKOSRFD-YBCYLVPRSA-N 432.463 2.489 30 10 IEEE CCN1CCN(CCCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585121750 FLXVRYWXSBSMGG-GOSISDBHSA-N 431.968 2.098 30 10 IEEE C=CCn1ncc2ccc(NC(=O)c3ccc4c(c3)S(=O)(=O)N(CCOC)C4=O)cc21 1585546761 OKUMDBUOYWOOPT-UHFFFAOYSA-N 440.481 2.266 30 10 IEEE C=CCCn1cc(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)nn1 1585804663 DVOSZUOQWNPTCE-UHFFFAOYSA-N 448.568 2.222 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncc2[nH]ccc2c1Br 1586358716 JKKILRADQMQBOE-UHFFFAOYSA-N 434.275 2.003 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H](C)N3C(=O)c4ccc(C)cc4C3=O)c2C#N)C1 1586958196 IAZSWNNWVWOLEQ-GFCCVEGCSA-N 436.493 2.456 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1587847532 MUULETDKRXBFRX-UHFFFAOYSA-N 435.488 2.286 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nncn1C 1588109384 DBGPZVRCCMDSNE-UHFFFAOYSA-N 428.269 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCN(C(C)=O)C1 1588167166 YVSGTWQXESTJOP-HXUWFJFHSA-N 435.528 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nnn(C)n1 1588251580 SCEAZMMWUZWLTI-UHFFFAOYSA-N 432.532 2.324 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)COc2ccccc2OC)CC1 1588800615 LGPUIGDVHIAWCD-IBGZPJMESA-N 449.559 2.158 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2OCC[C@H]2C)CC1 1588954485 HWJRYBWXOHVHHH-VQIMIIECSA-N 427.574 2.321 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1589216728 WBTWCHOOMMBYRV-WIYYLYMNSA-N 430.530 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1589484640 UVXKIMNALNJTFS-CTNGQTDRSA-N 430.597 2.127 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1594070486 HICYQHVALDZGOB-XDOYNYLZSA-N 429.484 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C1Cc2ccccc2C1 1595812318 QTCXZJWPZNPPKR-UHFFFAOYSA-N 437.569 2.468 30 10 IEEE Cn1ncc(I)c1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1596978986 UUQPYJPLLCSGJI-LBPRGKRZSA-N 436.257 2.008 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCO)CC1 1611772421 USMRQZNRLPZGJW-UHFFFAOYSA-N 437.504 2.123 30 10 IEEE O=[N+]([O-])c1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(O)c([N+](=O)[O-])c1 1614948800 LOEKAEFFTLPBCZ-GIDUJCDVSA-N 445.753 2.083 30 10 IEEE N#C[C@]1(NC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CCc2ccccc2C1 1616666246 UIWKVSGSWNVQMC-NRFANRHFSA-N 445.566 2.013 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)C)C1 1617401486 ZMVOGQUJFADVIF-SFHVURJKSA-N 446.577 2.150 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)s1 1624576003 FEMHPVUWZRBOMJ-ZDUSSCGKSA-N 431.580 2.174 30 10 IEEE N#CCOc1cccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1625876488 YKMKDIVMKNFUMV-UHFFFAOYSA-N 431.470 2.057 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)CC1 1628288182 PZVVTFTVTHHLPY-KRWDZBQOSA-N 432.542 2.324 30 10 IEEE C#CCC1(NC(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCC1 1632038461 OFVNKQYBDFZXRL-UHFFFAOYSA-N 435.546 2.102 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1cccc(F)c1 1632952591 GGKGHFMIHFKOOX-GOSISDBHSA-N 431.489 2.245 30 10 IEEE Cn1ccnc1[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(C)(C)CO 1634460588 HICMBDXYJYNMLV-DAWZGUTISA-N 426.521 2.436 30 10 IEEE C[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1637309012 GYHBNEWWAWNUHD-QFBILLFUSA-N 449.573 2.482 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C(=O)OC 1638401310 LFTRKHVKFUZRDL-HXOBKFHXSA-N 427.501 2.390 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCc1cc(F)c(C#N)c(F)c1 1639271731 XJHZGKOZXDIHCK-OUTPDUCRSA-N 441.356 2.438 30 10 IEEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1ccc(C(=O)NO)cc1 1639591132 NLIDMBCWMBKOAG-UHFFFAOYSA-N 445.541 2.059 30 10 IEEE C[C@@]1(C(F)(F)F)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1643897423 XBXUXXHMHCXOIW-SFHVURJKSA-N 447.479 2.465 30 10 IEEE Cc1cc2c(cc1Br)CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 1652558706 DETIACRJAOWKGM-UHFFFAOYSA-N 448.342 2.381 30 10 IEEE Cc1cc(I)cn(CC#CCN2C(=O)c3ccccc3C2=O)c1=O 1652759887 LYDMUODBDDZQQI-UHFFFAOYSA-N 432.217 2.061 30 10 IEEE C[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654688663 CAGISBTXECBUBN-VGOFRKELSA-N 449.573 2.432 30 10 IEEE CCOC(=O)c1c(NC(=O)NCC2(CC(=O)OC)CCCC2)c(C#N)cn1CCOC 1670537265 HDPKGAZBVPHGHB-UHFFFAOYSA-N 434.493 2.428 30 10 IEEE COc1ccc(NC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1C#N 1673850046 BTFOMIMTVAIEJQ-UHFFFAOYSA-N 434.440 2.387 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 1682588319 PEUMPVDTDYZIIZ-BDAKNGLRSA-N 441.344 2.489 30 10 IEEE COc1ncc(Br)cc1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1687082207 DQZJGMLZKPUVKE-UHFFFAOYSA-N 431.294 2.151 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1689824505 QXNMPUSFYWDPQI-QRWLVFNGSA-N 435.450 2.422 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCN1CCOC(C)(C)C1 1690050159 VCGZFVYNPFBXAE-UHFFFAOYSA-N 435.572 2.451 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@H]1CCOC1 1690077399 NXWICIKXQBKCBJ-FQEVSTJZSA-N 439.564 2.107 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)N(C)C)CCCC1 1690082729 LZNHKYQJSBSGQC-UHFFFAOYSA-N 442.589 2.378 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H](C)N1CCOCC1 1690091186 LGNBEVDANYBKNP-ICSRJNTNSA-N 427.524 2.282 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(CN2CCOCC2)CC1 1690315803 NEWUIRBNRSFSTM-UHFFFAOYSA-N 440.592 2.405 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1)C1CC1 1690543874 SATKTFPALJYFJV-HNNXBMFYSA-N 434.342 2.433 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](COCc2ccccc2)C1 1690671050 OEJIMGPZJJZZPR-VQTJNVASSA-N 425.533 2.127 30 10 IEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1690683045 ADUOBBJLWUDSCL-UHFFFAOYSA-N 447.543 2.338 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1690922952 DEIAHQIBOJZECS-UHFFFAOYSA-N 428.562 2.037 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1690996012 SNZYSVHQFRZCRD-INIZCTEOSA-N 444.561 2.138 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(CS(C)(=O)=O)c2)o1 1693109700 DTZVSNIXKXHHOU-GOSISDBHSA-N 441.513 2.168 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)C(F)(F)F 1697132788 PZIIXCBRXFXIBW-CJNGLKHVSA-N 436.438 2.451 30 10 IEEE COc1ccccc1CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1697596048 BRNYHEOEXKAVCL-QURGRASLSA-N 436.516 2.402 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1705585848 LXPVHJDZPARFFF-HSZRJFAPSA-N 446.555 2.158 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NC(C)C)CC1 1705646658 MJHXYRMVNJMGGW-UHFFFAOYSA-N 448.527 2.182 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705659652 BYCFQKWAUOESGB-SFHVURJKSA-N 445.593 2.290 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705726617 WGZGLWOKQZEEIQ-IBGZPJMESA-N 437.592 2.409 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705734508 RJPOXXJMGFMSSP-KRWDZBQOSA-N 440.552 2.451 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1705856444 SKEQWQSWUCRHIQ-SAHWJRBASA-N 446.596 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705898935 CKNYJZXUVIVLPL-MRXNPFEDSA-N 441.923 2.003 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1 1710894144 FAYVFCSXXMICNX-FQEVSTJZSA-N 431.566 2.108 30 10 IEEE CC[S@](=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710918138 OEEUUEXCMNRKAM-PMERELPUSA-N 427.578 2.298 30 10 IEEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712382046 NAXWDMLUJWNUHR-UHFFFAOYSA-N 441.555 2.461 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1722360254 FSABUMLBKNTRTO-IBGZPJMESA-N 431.562 2.172 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1722364859 JLDCXFFPTPSONW-SFHVURJKSA-N 448.614 2.257 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCOC2)CC1 1722429539 NBBMXQHDEHEUIT-FQEVSTJZSA-N 436.560 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1722443854 CJGCFYZNVAQYSM-NHCUHLMSSA-N 448.571 2.064 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1722459339 IFARPMUZYBVKHX-OAQYLSRUSA-N 447.649 2.477 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1722736723 FYQJUAXFMNSZGY-MRXNPFEDSA-N 439.549 2.278 30 10 IEEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722742803 HOMNRKMDNPHJCQ-QGZVFWFLSA-N 428.562 2.299 30 10 IEEE CC1(C)CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1724027228 CLSXPIYKZLIZLA-IGGDJGDASA-N 428.537 2.325 30 10 IEEE C[C@]1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1724042567 BMWLNAPGVQDPCO-APWZRJJASA-N 448.321 2.242 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1CCCCCCO 1726646864 YDDSRROLTFRSCV-SFHVURJKSA-N 447.547 2.270 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)OC 1727955075 AZGJSPGSMZJACO-VQIMIIECSA-N 426.521 2.211 30 10 IEEE CO[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1729874868 HSGASMLITZEKAU-YLJYHZDGSA-N 449.563 2.331 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CCOCCCO)c1 1731179563 UOGGEDIBDROROG-OAQYLSRUSA-N 425.533 2.469 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCN(C)C1 1740679428 YRSRGQVUCVMDGU-DEOSSOPVSA-N 434.519 2.109 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740705621 JRSYQZBWQINAKR-UHFFFAOYSA-N 442.608 2.011 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1740725097 MFQQFNTUFUZJIF-YHYVQYDKSA-N 445.589 2.178 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740746579 MEFCQCOJGPHJQB-OCCSQVGLSA-N 437.367 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1740759660 KDJSOZSDZWDVIM-RXVVDRJESA-N 448.589 2.340 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740760722 KQKMRAPLZBJBCF-AOIWGVFYSA-N 439.626 2.366 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740867394 INJIMGGCWDXEML-UHFFFAOYSA-N 426.521 2.051 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-c3nc[nH]n3)cc2)C1 1740970883 RTMWJQKJNWUJCR-GOSISDBHSA-N 436.520 2.031 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCSC(CC)(CC)C1 1740989943 CPPICPRBRUCJPJ-UHFFFAOYSA-N 436.607 2.448 30 10 IEEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1744258316 WYHHHOBQLLVASB-GOTSBHOMSA-N 438.532 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1CC 1748650076 XGBLRHHATXDTTH-CQSZACIVSA-N 425.493 2.089 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)CC 1748912715 HLRHSANDLRDOPD-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749225657 IHSVOZBEULEACW-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1749557514 KSEKDXKQWCODKW-SLFFLAALSA-N 430.597 2.148 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(C)(C)O)C1 1749704912 CEHJUPNECQDZGV-MRXNPFEDSA-N 438.532 2.134 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1750745298 JWHHUASISLSYCC-UAFUQJIBSA-N 438.536 2.078 30 10 IEEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2nnn(C)n2)cc1Br 1751481897 WXRXKYJBOXULHF-UHFFFAOYSA-N 442.325 2.328 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1760097074 ZZVCNEWIQHMWLV-MAUKXSAKSA-N 431.924 2.125 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Sc1ccccc1 1760194692 OIZWBJVDJRJHSM-IRXDYDNUSA-N 431.587 2.142 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(C[S@@](C)=O)cc1 1760246572 UVZGAYYKXKVFTM-SSEXGKCCSA-N 425.558 2.296 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1760328472 WGMPIYFLUJKXPE-UHFFFAOYSA-N 439.564 2.196 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1760505928 SOVKTQHEDJTRNA-DENIHFKCSA-N 430.553 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1760555957 RGJLJBBHGVTTOI-NRFANRHFSA-N 434.537 2.383 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760569733 YUUCLHKDCCSACX-LJQANCHMSA-N 431.610 2.364 30 10 IEEE CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1768075096 XNTDEPZKOBZXRM-PMACEKPBSA-N 438.532 2.495 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C(C)C)N1CCOCC1 1770172465 KSNLAHMQAFXATD-MUGJNUQGSA-N 434.585 2.097 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1772887389 MDIGOCZYFQCYOC-LJQANCHMSA-N 446.577 2.007 30 10 IEEE CC(=O)NC[C@@H]1COCCN1[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 1851419290 PTVALAVBMFLCLB-OXJNMPFZSA-N 431.496 2.155 30 10 IEEE COc1nc(=NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c(C#N)c(C)[nH]1 1851594506 QIOOMCKVTNJRIQ-FQEVSTJZSA-N 427.464 2.293 30 10 IEEE N#CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)nc1 1851773295 UVDPIPHWHKDKEZ-UHFFFAOYSA-N 427.468 2.152 30 10 IEEE CC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(C#N)c1 1852767790 BIBURJNJHOFALV-OAQYLSRUSA-N 425.510 2.041 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CSc2ccc(OC)cc2)C1=O 1853790216 WLPFGHOWGIRSCG-OALUTQOASA-N 431.558 2.024 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)c1 1853895445 KNSBJPUUKKAGNX-UHFFFAOYSA-N 431.901 2.388 30 10 IEEE CS(=O)(=O)C1CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1856519987 QSQMDKCOTUTXPV-GOSISDBHSA-N 437.949 2.046 30 10 IEEE N#C[C@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)CC(F)(F)F)CC2 1857220326 PKHHHRYJFUMDIF-CYBMUJFWSA-N 441.431 2.369 30 10 IEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)NCCOc2ccc(OC)cc2)n1 1858761566 MFQWDKRNHKPROS-UHFFFAOYSA-N 427.457 2.347 30 10 IEEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(C)n1 1860942709 OWKIONHUBGUMSF-CQSZACIVSA-N 438.315 2.060 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(O)c1 1862627814 QRYXOHRODXEBFD-FQEVSTJZSA-N 440.452 2.357 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc(Br)c(O)c(OC)c1 1864292166 FOYULQQAGYWABR-AWEZNQCLSA-N 449.305 2.202 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CC)nn2CC(C)C 1864327531 VULYQRBTZXDAOX-LJQANCHMSA-N 440.544 2.469 30 10 IEEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1867428168 XYGAIAANOPIHPV-MGPUTAFESA-N 432.480 2.499 30 10 IEEE C=CCN(CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1984805583 IDXXOOAWLBPNGB-AWEZNQCLSA-N 429.514 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2044522823 PEJBUAXAHQJVOT-SFHVURJKSA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[nH][nH]1 2085658135 CABKDVVXZPACSY-UHFFFAOYSA-N 429.286 2.125 30 10 IEEE Cc1ccc(C#CCO)cc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2145937147 HZMHCOGXGCXBDP-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCO[C@@]2(C#N)C1 2216015964 ZWUNGAFSNITLOU-MSYCTHLASA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@H](N)C#Cc2ccccc2Br)C1 2227476030 OAKMRDPKBCUUBT-IKGGRYGDSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243429769 IBMIDBDCTVUSHU-IZPCHGGPSA-N 426.344 2.160 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243429770 IBMIDBDCTVUSHU-MLNJSSBLSA-N 426.344 2.160 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247918067 IGLPGVJLWAKPOD-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)s2)OC1(C)C 2248564188 KLXLKAKALFQRGL-HNNXBMFYSA-N 431.319 2.447 30 10 IEEE CCCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255632231 KKVFPMLGVLWLOP-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255700068 XFTBQCYPGPOEQT-RHSMWYFYSA-N 431.342 2.366 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255876334 BUHIZEMVWPRHCS-UHFFFAOYSA-N 435.330 2.299 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCc2ncn(C)c2Br)C1 2266543098 RMWBDSSOTQLMLG-UHFFFAOYSA-N 425.327 2.148 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2267121200 VELMERZSGVIYBI-AWEZNQCLSA-N 448.373 2.187 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(Cc2ccccc2)C1 2267178422 BJSYZOAPTSGXLY-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267178729 GPMMKDZOVIUSHN-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)n1 2267187995 GJPLNVOXFVEYCL-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267273421 MWTDUHVMQMDPTD-CHWSQXEVSA-N 441.259 2.052 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267519014 HGZGQMHTKQJOTB-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)Nc1cc(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)ccn1 2267519541 HZKHXXCEGVNJBL-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2267520258 MQCIVQWVDDXUTC-JLCFBVMHSA-N 448.373 2.332 30 10 IEEE CN(CC(C)(C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267604510 NNOXGLMLLCXQDR-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268648045 VHEWYEXWIMILQI-HOTGVXAUSA-N 447.341 2.080 30 10 IEEE Cn1ncc(I)c1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2307935075 LCSHROUUVKCPBH-UHFFFAOYSA-N 426.067 2.463 30 10 IEEE CCN1CCN(c2c(C=C3SC(=S)N(CC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 2314426080 KMOFMGJNGKSQLM-UHFFFAOYSA-N 445.614 2.411 30 10 IEEE CCC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2315603479 CNXNJUBWCJMQJW-CQSZACIVSA-N 436.362 2.143 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(N(C)C)cc1 2329035166 QDDHAZNYVAIJJT-MRXNPFEDSA-N 444.561 2.216 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2334270332 BARWHDQODXEPTH-IIAWOOMASA-N 446.357 2.084 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337193044 SCNQTXXLKPIVFI-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1C 2337319787 RVIZPKDJDZJNDH-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CC(C)(C#C[C@@H](N)[C@@H](O)c1scc(Br)c1Br)S(C)(=O)=O 2365209079 FIWOSRXTBHJNBQ-PSASIEDQSA-N 445.198 2.460 30 10 IEEE C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 18661854 CCNSRVWVDRIMOW-IAGOWNOFSA-N 447.557 2.007 30 10 IEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cc1OC 21317234 NKIHDSQGYVOIIC-UFFVCSGVSA-N 448.534 2.033 30 10 IEEE CS(=O)(=O)N1CCCN(C/C(O)=N/c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 30694473 DROIMZVKEVHNHF-UHFFFAOYSA-N 439.519 2.274 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 32538577 RIPJWILWFVAFEF-HXUWFJFHSA-N 439.482 2.316 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Nc1cc(C#N)ccc1OC 64611812 BWFOZGCRZQFBCP-ZDUSSCGKSA-N 432.502 2.265 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)COc2ccc(I)cc2)CC1 302886328 ARZIONRSXBECES-UHFFFAOYSA-N 448.264 2.285 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NC)c(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 427102181 FJAPYUVJJXIHEM-UHFFFAOYSA-N 437.547 2.135 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 447778365 IXFWWIDYJNSASQ-IBGZPJMESA-N 448.548 2.003 30 10 IEEE COc1ccccc1N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 465223656 LFAXHEXVWNPDAK-KRWDZBQOSA-N 435.532 2.246 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)cs1 485317250 JQSLTJJLCJVCKY-IBGZPJMESA-N 448.570 2.260 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 486384313 YWKYUCBGHMPLPC-IUODEOHRSA-N 449.392 2.325 30 10 IEEE C=CCN(C(=O)C1CCN(c2ccc3nncn3n2)CC1)c1nc(C(=O)OCC)cs1 501940166 FVTUYFZHRPBZAV-UHFFFAOYSA-N 441.517 2.193 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 504969542 CDLQLHQTOXJUSY-UHFFFAOYSA-N 446.486 2.433 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 534485029 VZNHAIDOTUQLFR-UHFFFAOYSA-N 447.337 2.087 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 577544993 OZIQPKRXQQPRHH-WBVHZDCISA-N 428.493 2.407 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNc2ccc(Br)cn2)CC1 727266304 OQNCEHBRWLUHRP-UHFFFAOYSA-N 427.328 2.437 30 10 IEEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1ccc(-c2ccccc2)cc1 732155903 HYJOBJZTUMGYGR-ZNTNEXAZSA-N 442.479 2.499 30 10 IEEE C#CCN(C(=S)NCCN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 733087478 RVHNRUXTPBOWJN-KRWDZBQOSA-N 438.391 2.415 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)CC(=O)N2C)cc1 734920404 KEOFQBJSKJLZKV-GHTZIAJQSA-N 427.501 2.443 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)c1 735340318 XETIKYJEQGBUNU-HXUWFJFHSA-N 444.484 2.398 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)c2)s1 739749144 GMSZHRVGXYASDV-LJQANCHMSA-N 438.553 2.084 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CC[C@H](C)C2 746036857 GPRYMTHMJDRNKS-ZFWWWQNUSA-N 444.557 2.187 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 746621827 ZDTNIYHIQZXXQI-SECBINFHSA-N 439.540 2.310 30 10 IEEE COc1ccc(CNC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cc1C#N 746876142 BBGXDQKICUDGLF-UHFFFAOYSA-N 436.468 2.391 30 10 IEEE COc1cc(Br)c(S(=O)(=O)N(C)C(=O)c2cc(C#N)cn2C)cc1OC 751829797 GJXRFLYITGZHGZ-UHFFFAOYSA-N 442.291 2.137 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCOC2)cc1 752845758 PPNXHGKEGYFGCI-PZJWPPBQSA-N 436.560 2.285 30 10 IEEE CN(Cc1ccc(Br)c(F)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 755701625 FHJIXPXJLAYVSM-FOCLMDBBSA-N 425.258 2.256 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C 758584661 IMJUVTPYQBIYED-UHFFFAOYSA-N 425.535 2.421 30 10 IEEE CCc1cnc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)s1 758753018 OCLVMEPURCXPBD-GDBMZVCRSA-N 434.566 2.296 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)C1 760294848 BILGADXRADWJOU-AEFFLSMTSA-N 443.573 2.399 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cc(C)ccc2C)C1 760301849 NYMKGCRYIGPGHP-WBVHZDCISA-N 431.562 2.175 30 10 IEEE CC(C)CN(CC(F)(F)F)C(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1 762726447 XXQHMVRJPIJRFK-UHFFFAOYSA-N 430.471 2.203 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2ccn(C)c2)c1=O 763465619 LHBFGYMMDMFHDX-UHFFFAOYSA-N 441.434 2.286 30 10 IEEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 767885060 XSBNTRNNKBIOJP-UHFFFAOYSA-N 447.516 2.243 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C#N)c(Cl)c3)c2=O)c1 776755530 CVVQGYQAERMTOZ-UHFFFAOYSA-N 433.880 2.163 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 780922478 SAVUQIVUKICSMK-GOSISDBHSA-N 428.286 2.339 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@H](C)c2ccncc2OC)C1=O 783512004 ZDSLCWYXISQKTD-MLGOLLRUSA-N 429.502 2.323 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)n(C2CCCCC2)c1C 786861386 KUQZKQDNXWYDNB-LJQANCHMSA-N 427.505 2.301 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)c1ccc(C(F)(F)F)cc1 791265932 YGTMOXGOOXPFGH-UHFFFAOYSA-N 426.372 2.170 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 796098365 VRHZFVNIERYPOX-OAHLLOKOSA-N 427.448 2.230 30 10 IEEE COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(C)CCC#N 800164446 DSBBFKBZERGXKN-QGZVFWFLSA-N 438.550 2.379 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCO1 802687275 PJMSONVTVSPQJW-RBUKOAKNSA-N 438.532 2.221 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCO2)c(OC)c1 802687814 YQFPNQJMSLXVQJ-PKOBYXMFSA-N 438.532 2.318 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(OC)nc2OC)C1=O 809942211 QSYDHODMZRPCTD-INIZCTEOSA-N 439.497 2.238 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)OCCO4)n2C[C@H]2CCCO2)cc1 812306542 UWZBBZDOEYSYRU-LJQANCHMSA-N 425.489 2.251 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 1124898680 AXTMGONCAZGAOR-UHFFFAOYSA-N 435.590 2.447 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1)C(N)=O 1135508950 FZWXZQJWNWUUJG-SFHVURJKSA-N 443.598 2.258 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cs1 1136041359 YVGGOOULNXINLY-UHFFFAOYSA-N 442.545 2.326 30 10 IEEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C 1141592070 XHBKJIAHPDLRFJ-QGZVFWFLSA-N 430.526 2.333 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1151284769 ONFGFKIZIMZZES-INIZCTEOSA-N 435.525 2.432 30 10 IEEE CCOC(=O)c1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)on1 1152133356 FQMIQFNHDYNKKN-YZGUTLMUSA-N 432.477 2.254 30 10 IEEE C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1154408561 UGBVWEUYPMTWIZ-BTYIYWSLSA-N 426.517 2.264 30 10 IEEE C[C@H]1Cc2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc2N1S(C)(=O)=O 1156248056 XBYSYUPTSHVMLC-KXBFYZLASA-N 439.541 2.381 30 10 IEEE COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1195384713 CDRPXLAWJJPGTC-ZCNNSNEGSA-N 439.516 2.499 30 10 IEEE CN1C[C@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)CC1=O 1267515851 UONUDDMFOHLWCF-LSDHHAIUSA-N 440.422 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(=O)C(C)C 1286275230 RIEXPUFBOZGWOE-MRXNPFEDSA-N 444.967 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC1(S(C)(=O)=O)CC1 1286303890 DEWMFFLCEQCPOT-MRXNPFEDSA-N 432.546 2.291 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCC1 1286408775 LHSSYMRMUCTMAC-UHFFFAOYSA-N 440.573 2.006 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCN(C)C1 1286422662 CZTSLWICSQKZNO-JOCHJYFZSA-N 427.936 2.137 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1286458861 FLKPTCWJUXDRKP-UHFFFAOYSA-N 436.907 2.365 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC[C@@H]2C)n1 1286470743 CDYUMJVQOJXRIO-QKNQBKEWSA-N 442.564 2.285 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286606876 FFMHBMDRYKAQJS-SFHVURJKSA-N 427.553 2.014 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286610195 ZPKQDELMKRPIMY-OAQYLSRUSA-N 426.565 2.015 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CC2)CC1 1286665241 XACBXFIKJRBLMG-UHFFFAOYSA-N 449.602 2.249 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1286683247 MYAIBCMXHFLXEF-INIZCTEOSA-N 435.598 2.362 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1286727087 MDCSLEXCLPKIHN-FOGNVHKLSA-N 439.582 2.120 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1286747397 LSIQAWOAPXWIDT-FXAWDEMLSA-N 442.539 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCN(CC)CC2)C1 1286803599 FFAKVSQDXIXSRR-WOJBJXKFSA-N 427.597 2.091 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(c2nccs2)CC1 1286818924 SVIZACKVKQVAGW-UHFFFAOYSA-N 445.574 2.176 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1 1287801312 GPTHUQAPQYWBTM-UHFFFAOYSA-N 434.468 2.119 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCSC[C@@H]1C(=O)OC 1288878847 DSMXRIGELNGAOE-CYBMUJFWSA-N 443.319 2.215 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1C 1289742542 BRNDJPBZSNOHMK-DFQSSKMNSA-N 438.532 2.427 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cccc(Cl)c2)CCOC1 1296662591 DUCXTONMKZXYIO-GHTZIAJQSA-N 447.923 2.391 30 10 IEEE CN(C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1298096760 PKLDIKFWSLSJHF-VSKRKVRLSA-N 438.576 2.494 30 10 IEEE CNC(=O)c1ccn([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C2)n1 1299063620 VKAHQWOFWXDYEY-INIZCTEOSA-N 436.520 2.387 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1299552704 KJNHNVDXTYWIST-INIZCTEOSA-N 448.487 2.481 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1CCN(CC(F)(F)F)CC1 1300675418 BLHKWUZLVDYCRO-QGZVFWFLSA-N 429.487 2.490 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1300879377 CVGPUJKBUZLXBL-KBMXLJTQSA-N 426.443 2.427 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1301071085 WRFQAOOKGVLQSF-NZQKXSOJSA-N 433.597 2.322 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(C)CN(C)C1=O 1301806249 ZXWXIXSYDJFONL-HSZRJFAPSA-N 433.516 2.338 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1305762870 AEYNKYQNAMEHOH-AWEZNQCLSA-N 428.493 2.099 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3cccnc3C)nnc12 1306904513 GDUSLPJALJWLBN-UHFFFAOYSA-N 434.525 2.385 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@H](OCCOC)C3)n2Cc2ccc(C#N)o2)CCOC1 1314132564 XQJADLLCAMOZQE-AVRDEDQJSA-N 445.520 2.075 30 10 IEEE COCC[C@@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1315978840 FHSQJCXNNWMNQP-DENIHFKCSA-N 425.533 2.264 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@]1(C)CN(C2CC2)C1=O 1316100687 VXWBGQMRMIHQAR-QFIPXVFZSA-N 426.496 2.462 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1316171913 XYHUMIHWGUARBS-OTWHNJEPSA-N 434.585 2.241 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1ccccc1F 1316297927 RGGROPSEXHYHFT-BOSXTWCSSA-N 445.495 2.337 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1Br 1347685589 MTGPOASLPZNSKD-UHFFFAOYSA-N 443.257 2.390 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1358921964 OZAVGKJDPASXGM-LBPRGKRZSA-N 428.356 2.318 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358957897 CIHQSKUWZUFKIK-UXHICEINSA-N 441.557 2.114 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961618 BYYCMXLXODPRPW-GHTZIAJQSA-N 441.601 2.303 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C)COC2)CC1 1359030817 GVQJKUWYZUULER-UHFFFAOYSA-N 430.350 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCSC)CC1 1359043399 SFBBZABGLDKOSP-UHFFFAOYSA-N 441.557 2.393 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1359098952 HZLHEINSHURADA-OTWHNJEPSA-N 432.569 2.005 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359198210 LAFKJISNMGFNCX-UWVAXJGDSA-N 441.598 2.019 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCNC(=O)OC(C)(C)C)C1 1359321012 YTQFTPLFTACIGP-IRXDYDNUSA-N 448.568 2.315 30 10 IEEE Cc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)cc(N2CCCC2)n1 1361081059 HJKCPJPSZNHGSF-QGZVFWFLSA-N 436.564 2.348 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)n1 1436121300 PMTYQWAYNANBQO-UHFFFAOYSA-N 439.443 2.476 30 10 IEEE N#C[C@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1439799370 ZAXOQTDBYBRDIY-HRAATJIYSA-N 440.481 2.217 30 10 IEEE CC(C)N1CCN(CCCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 1441668099 SOYOFVUMRWTZEJ-DARPEHSRSA-N 449.621 2.244 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@](C)(C#N)CN(C)C)c1 1459877720 AANDIFZRIPHRIG-QGZVFWFLSA-N 445.383 2.053 30 10 IEEE CC(C)Oc1cc(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1463163386 NFVLQZPYUMJLLK-SUMWQHHRSA-N 427.320 2.247 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2csc(C(C)(C)C)n2)cn1 1503652805 HGJHJEKSDCWWTE-INIZCTEOSA-N 426.550 2.404 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCO1 1504735159 KSOWGXXKKWXZPH-QUCCMNQESA-N 427.505 2.007 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nnc2n1CCCCC2 1504965997 QLGCBMXYBIBPFE-KKSFZXQISA-N 446.531 2.005 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)OC 1504994631 PNQZIWYLYRHIOO-QGZVFWFLSA-N 443.552 2.020 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1507516836 MZEOWQMUGQVMSI-QWRGUYRKSA-N 446.396 2.219 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631869 UQVDXUJCBHVPAJ-LJQANCHMSA-N 434.525 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507677186 VKSBHMTXZXPCPU-RBUKOAKNSA-N 434.548 2.093 30 10 IEEE C=CCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507952829 CJKPJOPICVVMTN-QFIPXVFZSA-N 429.569 2.345 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1508061253 MFUMVDRTZBWGRM-SFHVURJKSA-N 435.525 2.356 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1516786451 RTDSDPLVIDAPIA-GOSISDBHSA-N 442.589 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1521758585 AMFIPTCMBLVCFN-WZONZLPQSA-N 442.516 2.196 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1533086655 QOZRYWMXQYZZAW-INIZCTEOSA-N 443.978 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538987141 QXXLWVPEIFKZGD-KBPBESRZSA-N 439.944 2.477 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539071929 HHUCETKGBBHRAQ-AEFFLSMTSA-N 430.578 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H]2CCOC2)CC1 1539470306 MBZUESGYGIHDJD-SFHVURJKSA-N 437.544 2.346 30 10 IEEE C#CCSCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@]1(OC(C)C)CCOC1 1539530681 LTQTVAKHEFMRPP-UWJYYQICSA-N 445.593 2.155 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 1539548401 KFCQVJVXLOQEDM-UHFFFAOYSA-N 432.933 2.358 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539585831 BNBIRZWEWZCTIP-HZPDHXFCSA-N 446.305 2.086 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1540868702 ODMAJWHEQAJJOV-FXAWDEMLSA-N 435.532 2.294 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1c(C)nn(C)c1C 1540872628 VOFBOTSDOQAQOQ-UHFFFAOYSA-N 437.548 2.166 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCN1CCN(Cc2ccccc2)CC1 1541801819 DSMZOHYMMKKEFC-FQEVSTJZSA-N 447.591 2.235 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1542167823 ZONIQWFYKSUERD-NJNPRVFISA-N 429.496 2.456 30 10 IEEE CC[C@@H](C)c1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545600279 GTLXAEZRWMJPAJ-OSCRUYLVSA-N 428.537 2.325 30 10 IEEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)o1 1546364555 ALZSLFFMWAFLSE-UHFFFAOYSA-N 440.529 2.205 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1548321894 DUIOKHBPCBSIMO-QZTJIDSGSA-N 429.546 2.398 30 10 IEEE CC[S@](=O)CCn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1552453080 GQXRSPUARPHMQE-XKRTVRMBSA-N 438.598 2.413 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccncc1Cl 1555665575 XZFPEZBOVOBSMD-CRAIPNDOSA-N 445.955 2.275 30 10 IEEE COCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555724766 REPGIDBKLCNLMI-UHFFFAOYSA-N 439.564 2.267 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1555795153 MZMKKIFQEUIXJT-RTBURBONSA-N 427.530 2.175 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c(=O)nc1O 1556390428 AQPMSCGLDPSBLD-OAHLLOKOSA-N 435.253 2.476 30 10 IEEE C#CC[C@@]1(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)CCCN1C(=O)OC(C)(C)C 1556956856 AJXJGPOKJMANJV-QFIPXVFZSA-N 449.573 2.394 30 10 IEEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558511199 OKKFDVFCMGWCDI-JXFKEZNVSA-N 432.933 2.212 30 10 IEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1565247919 XAJRTSLOJSAZLY-WOJBJXKFSA-N 428.533 2.429 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)cc1 1584523718 LSMVVCFMTBIERF-OAQYLSRUSA-N 442.313 2.087 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCc1ccc(-c2nncnn2)cc1 1585236017 LKOAPCVAMMOYID-UHFFFAOYSA-N 425.246 2.263 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC([C@H](F)C(N)=O)CC1 1586489313 GXNGGIFTOWEMSL-INIZCTEOSA-N 442.285 2.160 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1588059644 RJDUEZBNRBZAIZ-VWNVYAMZSA-N 434.606 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(CCN(C)C)CC1 1588110140 WWHZIYAIHSDXQD-UHFFFAOYSA-N 439.995 2.340 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CSC)c2)CC1 1588732599 DGCVSVWHQFOJEY-UHFFFAOYSA-N 438.601 2.181 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2c(F)cccc2F)CC1 1588750100 BRUDYIBLVMMXBP-KRWDZBQOSA-N 433.503 2.278 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCOCC2)CC1 1594035790 MPRIKLOKYWPQTL-GOSISDBHSA-N 445.589 2.226 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1594498890 YOKJRMHGVHTRES-ROUUACIJSA-N 437.610 2.450 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1594627037 QUJUMYZKRCJPKO-ZWKOTPCHSA-N 426.583 2.167 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594752604 MQWCYAPBJCVUHS-UHFFFAOYSA-N 429.569 2.093 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1594855317 ANJLHAYZEJUXNR-YLJYHZDGSA-N 446.621 2.347 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1C 1595551512 RBZATSYOUGLRTR-HKUYNNGSSA-N 443.573 2.132 30 10 IEEE CC(=O)Nc1ccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)cn1 1596355049 IYTMHTBKTPPVHC-AOMKIAJQSA-N 441.536 2.316 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOCC1CCOCC1 1614025544 UYRADDVAFBZWDT-UHFFFAOYSA-N 439.564 2.267 30 10 IEEE CCOC1CC(O)(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC#N)CC2)C1 1616578216 GBGWQURGLQCKAD-UHFFFAOYSA-N 427.553 2.200 30 10 IEEE CN(C)CCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](F)(C#N)C1 1617698732 SANFTNTUJSIGRK-QFIPXVFZSA-N 438.511 2.355 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1618032011 VWSPPCPCMXTONP-UHFFFAOYSA-N 439.430 2.270 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN(C)C(=O)OC(C)(C)C 1619913216 XNNBUHFWUPQZND-KRWDZBQOSA-N 436.557 2.405 30 10 IEEE Cc1ccc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1621794698 HVEYAIDITGXOQE-GOSISDBHSA-N 431.338 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC(=O)NCc1ccco1 1625990755 GPMJRLFMCMPLAG-FQEVSTJZSA-N 438.484 2.418 30 10 IEEE C#CCN(CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)C(=O)OC(C)(C)C 1629020673 WJJCQSQKOOVZOH-UHFFFAOYSA-N 428.533 2.321 30 10 IEEE O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)NCC#CCO 1634027463 ZWGYALBINJMYQJ-UHFFFAOYSA-N 446.916 2.356 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)C1 1634109297 YUOTUMAKKPMFDJ-AALSBFMBSA-N 435.525 2.052 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 1634555441 XZPCDGJSKGIJQA-OAQYLSRUSA-N 431.602 2.398 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1635445690 CNZUXVAUHZWWNS-YADHBBJMSA-N 428.577 2.390 30 10 IEEE C#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 1637747409 ZFIBAHSMCXJZKP-AWEZNQCLSA-N 437.315 2.282 30 10 IEEE C[C@@H](CC(=O)NCCc1ccc([Si](C)(C)C)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1640689858 AKMOPSPVNGEQOI-INIZCTEOSA-N 443.645 2.408 30 10 IEEE C#CCN(C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1644789139 ATTBNDUYVAMKEO-MRXNPFEDSA-N 446.548 2.101 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)cc1 1651118731 WGGOWDHAJUERLW-UHFFFAOYSA-N 434.499 2.452 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)C1 1651805498 LMZLCDTUAGLQOL-IRLDBZIGSA-N 427.570 2.357 30 10 IEEE CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1cncc(C#N)c1 1652271495 OAKISEQYVOFCRA-LHUXKHBRSA-N 430.555 2.281 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)cc1 1667322867 XIUYEXSECMTCQQ-QFBILLFUSA-N 433.534 2.268 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 1670841564 UCPCPGNEEDDXBE-LJQANCHMSA-N 447.561 2.322 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1689984297 NBPFCCWELBNEAC-GOSISDBHSA-N 446.598 2.500 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986772 WWDXGEYYLUFABY-RBUKOAKNSA-N 444.605 2.022 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689993250 ZCWNOVUYAWNDFC-SFTDATJTSA-N 441.601 2.304 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C 1690102439 LAAACXGCZCKTHZ-MOPGFXCFSA-N 448.612 2.429 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C#N)o1 1690104482 YAGJTTPWDUCUFQ-UHFFFAOYSA-N 446.515 2.051 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(N(C)C)CCC2)CC1 1690113999 ZTYNDLNPCXGHIS-UHFFFAOYSA-N 446.397 2.275 30 10 IEEE C=C(C)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690297749 FOTKEWGAJJSOJQ-DMPWYTOCSA-N 430.553 2.484 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1690670910 LVFAADCBTPCPRA-NRFANRHFSA-N 438.576 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)C1CCCCC1 1690714616 PZDQVXHHAQURJY-INIZCTEOSA-N 425.599 2.422 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1691003202 DSCAEGIESVGJFL-NCXUSEDFSA-N 436.626 2.144 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCSC(F)(F)F 1694734019 FFTFHWLMYNTXMU-UHFFFAOYSA-N 428.488 2.334 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cn2)CCO1 1698490613 DWLPGZSNBPTVMW-AWEZNQCLSA-N 432.257 2.347 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCOCc2ccccc2)CCO1 1698490964 MTJAXUIJNNJHKL-HXUWFJFHSA-N 438.532 2.240 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705535315 IVLBZFUMELXJHC-LJQANCHMSA-N 429.590 2.356 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC(=O)NCC=C 1705594240 VYOBKQPPPHPVCO-UHFFFAOYSA-N 426.318 2.473 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1705598710 PHYNXYWZOHOGEH-PMACEKPBSA-N 437.569 2.158 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1705677960 JDWQGGZDUSISCK-HTAPYJJXSA-N 444.557 2.293 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705818984 AMJUFBMWBQOIPT-INIZCTEOSA-N 434.541 2.007 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705827375 CGJUWGKJYXEKPU-UHFFFAOYSA-N 433.578 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)C1 1705904564 RTXVCEYVDBECCG-GCJKJVERSA-N 427.505 2.098 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccs2)C1 1705914148 HNYYQYXVMKWTSM-OAHLLOKOSA-N 425.518 2.406 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC[C@H](C)C2)C1 1705915015 RPXDMQLXIJXKHJ-XUVXKRRUSA-N 430.597 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705932736 JHEIDXYZHCNSAE-IMFGXOCKSA-N 446.573 2.416 30 10 IEEE CC(C)(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1706154006 GUGKMXWBGXUNCK-UHFFFAOYSA-N 436.564 2.129 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706934359 XNQOYRZJKXKVAK-HTAPYJJXSA-N 439.495 2.126 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@]2(CCOC2)O1 1708177142 LVTRFUKAZVLOLX-VFNWGFHPSA-N 433.459 2.483 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1710825498 KKBQDTORFKVRIM-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE CS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1712700276 FFTMKZILNYQPDO-UHFFFAOYSA-N 428.562 2.179 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722322569 LFWBTTTYPMDVKE-ZJSXRUAMSA-N 445.608 2.282 30 10 IEEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722330858 YMEWJJYYDXJWOS-UHFFFAOYSA-N 447.543 2.013 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NC1CCCCC1 1722423525 GZKVTAYTSNMRRM-UHFFFAOYSA-N 439.516 2.209 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722428685 IXCOMLABZNBFRP-HXUWFJFHSA-N 435.532 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC[C@@H](F)C2)CC1 1722443813 BKAWBEPHLZWCNA-YQVWRLOYSA-N 435.544 2.106 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOC(F)(F)F)CC1 1722450521 LEKMTLUKJYTMHM-OAHLLOKOSA-N 429.443 2.022 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722494075 MEJMFCJVHQKSBM-SQNIBIBYSA-N 443.552 2.473 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1722552602 SOMASDHJXNXJFW-UHFFFAOYSA-N 425.867 2.195 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722592785 YZTBTZOPWHYCOV-IBGZPJMESA-N 431.581 2.460 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1722728292 PCCHQFLSDNCOMX-IEBWSBKVSA-N 432.546 2.430 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1722868730 LIZAMSCOGUMIRL-WIYYLYMNSA-N 440.548 2.499 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(F)cc3C2)n1Cc1ccc(C#N)o1 1723944876 ZQUSCMUJWOQBHY-ZDUSSCGKSA-N 444.492 2.103 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727926526 JGVZKFKNBSNKSX-HNNXBMFYSA-N 448.531 2.361 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1728574637 DRHMYQAJCFZFRX-LJQANCHMSA-N 442.589 2.314 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1Cc1ccc(C#N)o1 1728904549 VYQLTFIHIOBCNX-UHFFFAOYSA-N 436.472 2.095 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)C1 1731002959 LAURQCLGNXBKIJ-IBGZPJMESA-N 425.514 2.200 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1740620123 NTJIAYVOYVYDKW-OAQYLSRUSA-N 446.536 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC[C@H]2CCCCO2)CC1 1740706310 VQRSZQKSSZVITH-WOJBJXKFSA-N 429.565 2.097 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740880859 PIKUXEATEMPVRR-SFHVURJKSA-N 440.548 2.407 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCN(C)C1 1740924630 XVPPBCJIAOFSSW-LQBOVUBWSA-N 447.605 2.323 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1740952758 MVPXDHNJEDTXCY-QGZVFWFLSA-N 447.543 2.161 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCOC2(CCC2)C1 1740964098 HDTRIPSFMMPZOG-UHFFFAOYSA-N 441.532 2.317 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)OC 1744165026 BEJZSNIICPLCDN-ROUUACIJSA-N 447.561 2.167 30 10 IEEE CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1748375344 AYAQUZNVHJPXME-INIZCTEOSA-N 426.521 2.371 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748702650 OTIXIZJYXWZDJD-QFIPXVFZSA-N 445.571 2.363 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1748730505 MJZQLLMYNVBOSH-UHFFFAOYSA-N 427.578 2.327 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(C(C)=O)CC1 1748860735 ZTQWLVILXSDKBG-QFIPXVFZSA-N 433.512 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1748890673 SWVXSXZMIQWNOB-NZQKXSOJSA-N 443.617 2.191 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1748906770 YJGRJSPJUYENOL-DLBZAZTESA-N 448.568 2.013 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnccc1OC 1748922647 HFZKXOHYECVLTG-UHFFFAOYSA-N 429.484 2.103 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](COC)OC)CC1 1749293219 FURXZURGXNXPMW-GOSISDBHSA-N 449.577 2.013 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1749691146 ZLUNUFDIZNREMH-IBGZPJMESA-N 446.573 2.002 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cncn2)C1 1749696734 WUXFRCVRAKECMM-OAHLLOKOSA-N 447.341 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1749721495 LTNWVJCKYVMARE-KRWDZBQOSA-N 439.626 2.379 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CC1 1750389417 YHMOCSVQTCTVCO-INIZCTEOSA-N 434.953 2.407 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1750485040 HWLXMRYAQPVFLX-SJORKVTESA-N 438.488 2.236 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)CC1 1751276674 LALPAFDEMSOBIS-UHFFFAOYSA-N 444.580 2.477 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)cc1C 1751572572 GQNFHVFNHAPMOP-LJQANCHMSA-N 426.521 2.117 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)n1 1751614144 HRJKZYKWJSXRNS-LAUBAEHRSA-N 449.481 2.447 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760137433 JUWNISLWSLMYBP-ZWKOTPCHSA-N 437.610 2.287 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CC1 1760175529 LMTOOTXVRXDWJL-KRWDZBQOSA-N 433.553 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2CC)CC1 1760271804 MPBIDPGGGPNQCW-OAQYLSRUSA-N 426.609 2.461 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)[C@H]1CC 1760353295 NACDKXUBEAFSFN-GOSISDBHSA-N 429.521 2.270 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760356825 XTQMQUCOEPITML-DLBZAZTESA-N 448.568 2.173 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2OC)CC1 1760397417 SMKXNQLOHYYHJE-HNNXBMFYSA-N 449.577 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC(F)F 1760553312 REGFABXYTHCENY-UHFFFAOYSA-N 428.461 2.366 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C#N)o1 1763194190 OXOMYCAPHYNSSQ-LJQANCHMSA-N 436.472 2.190 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(Cl)c(OC)c2)CCOC1 1765924646 WZAYIQSZBAPZSF-HRAATJIYSA-N 447.923 2.369 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCSCC 1766408673 IZIZMKMSHOHYBU-MRXNPFEDSA-N 430.582 2.335 30 10 IEEE CO[C@]1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1768208674 DWMJVPZSIGABDF-YADHBBJMSA-N 442.495 2.395 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1769094840 LPEZVWNKKLNXSJ-IBGZPJMESA-N 440.548 2.221 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1769677158 SOFSAYPDOOBFPZ-LJQANCHMSA-N 438.532 2.356 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1769964279 ZUKSWHOEYQYXHP-IERDGZPVSA-N 431.562 2.378 30 10 IEEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1770606457 LAKSXTRVCKHGQN-MSOLQXFVSA-N 426.546 2.432 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1770615330 HKMFTXKSJLWDHI-INIZCTEOSA-N 428.518 2.123 30 10 IEEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1771479954 IKBJIYAZYTUFCY-KRWDZBQOSA-N 425.562 2.181 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2CCCO)C1 1771529491 OUIZZACPUDXQRQ-ZHRRBRCNSA-N 448.493 2.436 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)CC2)CC1 1849387096 PVMSODYRLFVDTF-UHFFFAOYSA-N 431.558 2.241 30 10 IEEE O=C(NCC#CCN1CCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1850296968 MEINBEXUGUSTOJ-GOSISDBHSA-N 443.491 2.074 30 10 IEEE C=CCN(C(=O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1)[C@@H]1CCN(C)C1=O 1850564239 PUWLSGROWHZQOH-QZTJIDSGSA-N 441.450 2.204 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cc(C)cc(C)c4)n3[nH]2)CC1=O 1852237211 KJBHPMBOEAHIKV-IAGOWNOFSA-N 434.500 2.276 30 10 IEEE CC(C)[C@@H](Cc1ccccc1Br)C(=O)O[C@@H]1CON(S(=O)(=O)CC#N)C1 1853893277 UGZKXCXBVAMAEQ-LSDHHAIUSA-N 445.335 2.276 30 10 IEEE COc1ccc2sc(N3CC(C(=O)N4CCN(CCC#N)C(C)(C)C4=O)C3)nc2c1 1855896082 OMYMOJYVSOZCND-UHFFFAOYSA-N 427.530 2.104 30 10 IEEE C=CCNC(=O)N1CCN(c2nc(C)c(Cc3ccc(OC)c(OC)c3)c(O)n2)CC1 1858568142 PLJNTUDQSBXUGS-UHFFFAOYSA-N 427.505 2.116 30 10 IEEE C[C@H]1CN(C(=O)[C@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869929642 JXVLXKPWFWRCQG-KHYOSLBOSA-N 445.516 2.111 30 10 IEEE COc1ccccc1C(=O)Nc1c(C#N)nnn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 1870110421 QCJPAEKPGJMCFX-UHFFFAOYSA-N 436.384 2.234 30 10 IEEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873593680 UNVYVUTUYUWTOM-UHFFFAOYSA-N 438.507 2.195 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(NCCO)ncnc21 1873635413 DJYOVMSQKGERMC-UHFFFAOYSA-N 435.532 2.026 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc4cccnc4n3)CC2)CC1 1889528161 KKYPAIRMJKZUKR-UHFFFAOYSA-N 435.572 2.280 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c(F)c1 1891007661 CXBWMLGHTYBCAD-UHFFFAOYSA-N 428.431 2.184 30 10 IEEE Cn1nnc(Br)c1CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1964805347 BZHVPWNHIWSWNW-LLVKDONJSA-N 429.319 2.171 30 10 IEEE CC(C)(C#CC(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)NC(=O)OC(C)(C)C 2023918052 PDLYVVKZJCCSEM-HRCADAONSA-N 439.553 2.074 30 10 IEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nc1CNC(=O)OC(C)(C)C 2060810660 BRTZOHWKBFQGRU-SFHVURJKSA-N 438.532 2.295 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124521618 IWVGNCVFNGSZMH-QGZVFWFLSA-N 448.369 2.266 30 10 IEEE N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c1 2174787548 VJIJIAHWFNICAY-RBUKOAKNSA-N 433.461 2.060 30 10 IEEE C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248403809 GQMGKEPEVPTSAZ-FKIZINRSSA-N 437.371 2.362 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248442045 IKPJSAKGYKIEMQ-NSHDSACASA-N 440.375 2.137 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](COc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255348658 HXRTZTLSIGLVDA-MRXNPFEDSA-N 433.358 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2255371754 ARXRXSJISXQERA-UHFFFAOYSA-N 432.374 2.345 30 10 IEEE COC(=O)C1(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)C1 2255612368 PXZYTQDLTKUFOI-HDJSIYSDSA-N 438.330 2.138 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2C[C@@H]21 2255870322 KHFFFVURVCBOME-IRXDYDNUSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@H](O)C1(C)C 2258956477 FHZIAGXIHSCNHF-NYHFZMIOSA-N 436.358 2.182 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2c(Br)cnn2C)C1 2266486036 RIQDRPKNEYZYKG-UHFFFAOYSA-N 425.327 2.448 30 10 IEEE CCc1nn(C)c(C(=O)NCC=CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508642 ICNOIPAEVZFTMZ-UHFFFAOYSA-N 448.373 2.092 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267511173 YAOUDGMJKDJHHH-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)n1 2267526772 XPSQXGWVSZRTEE-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE CO[C@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2267594128 PWBPVRJXRKNTRJ-ROUUACIJSA-N 446.353 2.350 30 10 IEEE C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267880712 CGRPMCOXWDYXPH-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)CC[C@H]4C3)nc2)OC1(C)C 2282518387 XGRMLVWIKFGRCN-PMACEKPBSA-N 448.376 2.370 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1OC 2296619675 HBZIAYRICOFCSG-HXUWFJFHSA-N 440.500 2.094 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300305418 UJEIMIAVGSVMPF-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2317674702 IRRMUAOSDPZQCA-KRWDZBQOSA-N 434.342 2.255 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C[C@H](O)CNC(=O)OC(C)(C)C 2320126334 UGJIWCJOMGNHDQ-QGZVFWFLSA-N 438.349 2.442 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3F)n2N)c(OC)c1 20528145 KGNFUGVJXKUDRH-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccncc3)n2)c1OC 59023614 KTBFJPZZXKHQFS-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE CC(C)CN1CCC2(CC1)NC(=O)N(CC(=O)Nc1sc3c(c1C#N)CCCC3)C2=O 96547001 LGWWIIIPZIVBSD-UHFFFAOYSA-N 443.573 2.479 30 10 IEEE CCOc1ccc(C(=O)/C=C(\O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 100913592 GNVGQGQBSXWFTB-UNOMPAQXSA-N 432.454 2.173 30 10 IEEE C#CCN1C(=O)[C@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(c4nccs4)C(=O)[C@H]32)c2ccccc21 103676270 ZXAFZSVPNLISFZ-VGHKVXAASA-N 434.521 2.142 30 10 IEEE COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254300719 KUGUJRMVDRFOKL-QAPCUYQASA-N 440.587 2.389 30 10 IEEE CC(C)(C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 467738556 WWJSDXJOOGGCPU-UHFFFAOYSA-N 448.570 2.036 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 499486695 PQOFSILAKCTPLR-UHFFFAOYSA-N 449.479 2.027 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 508879608 HAOLZISJDUHKQS-HSZRJFAPSA-N 446.555 2.434 30 10 IEEE C[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC[C@H]1C 510296025 BWFCIFJUJDRJJN-LXZJYRNTSA-N 432.590 2.194 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@]3(CCCOC3)C1)CCCC2 510608178 JXWTZFZQHSMDAM-MHECFPHRSA-N 442.560 2.237 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cc(C(N)=O)c3ccccc32)cc1 522895242 XHINHASLSZHDOS-IBGZPJMESA-N 433.493 2.152 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 549320012 DKXJAEFFJBAMAV-MRXNPFEDSA-N 433.475 2.033 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 563997807 KXBHXOLXPRMIGP-OAQYLSRUSA-N 428.558 2.498 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 564381272 TZYCXARZFYUKQV-WDSOQIARSA-N 431.562 2.179 30 10 IEEE COC(=O)C[C@@](C)(NS(=O)(=O)c1cncc(C#N)c1)c1ccc(Br)cc1 569626677 CPVYDTNXPQWWOQ-QGZVFWFLSA-N 438.303 2.473 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 570367131 MSRINYYRMXJRJO-DEOSSOPVSA-N 449.559 2.231 30 10 IEEE N#CCCN(CCC#N)C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 574493912 PBBAUUWTVLTJPB-ZEVCKCCMSA-N 428.492 2.122 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C(C)C 581457356 RBTSECZULLRURM-SFHVURJKSA-N 437.541 2.351 30 10 IEEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2C#N)c1=O 604000083 KMMLPDYJPMLEMH-UHFFFAOYSA-N 440.528 2.205 30 10 IEEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)Nc1ccccc1SCC#N 609465022 CZWVDFPKCMBJMT-NRFANRHFSA-N 434.525 2.370 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc(N4CCOCC4)c3)C2=O)cc1 609604828 JMNKTVPVMHQKEN-FQEVSTJZSA-N 433.468 2.239 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)cc1S(=O)(=O)NCC#N 609993386 GATCKNTVKICMHO-MRXNPFEDSA-N 429.502 2.425 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H](CCCO)c2ccccc2)CC1 610146689 QNWVXEQWRJUYPD-FQEVSTJZSA-N 442.541 2.088 30 10 IEEE COC(=O)C(C)(C)[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 611406173 VGIQZTKEGZUGLH-HXUWFJFHSA-N 439.516 2.033 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O 730726455 FUCWLBBTBBSIKF-IBGZPJMESA-N 441.557 2.363 30 10 IEEE CN(C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1)C1CCCCC1 732705998 KKYZUGWPIRGDFO-NRFANRHFSA-N 437.544 2.229 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)cn1 732795401 FSQUJYNOTCSDCS-LJQANCHMSA-N 448.548 2.252 30 10 IEEE CCc1cnc(CCN2C(=O)[C@H](CC(=O)NC)S/C2=N\CCc2ccccn2)s1 742213696 MSSGAVMEXMSFLM-YZNZPZSRSA-N 431.587 2.322 30 10 IEEE CS(=O)(=O)N1C/C(=C\c2cnn3ccccc23)C(=O)/C(=C/c2cnn3ccccc23)C1 747440817 VRGBQAJTEOVKBC-XOBNHNQQSA-N 433.493 2.293 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1C#N 747495183 JLFVQDOTPOXBNX-UHFFFAOYSA-N 426.860 2.367 30 10 IEEE CO[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)NCC#CC(=O)O 757472692 ZPKMMQZZLLUTGW-INIZCTEOSA-N 436.464 2.134 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OCC)cc2)c1=O 758061157 WLWUIVNZOHSFFD-UHFFFAOYSA-N 444.512 2.336 30 10 IEEE Cn1cc([C@H](O)C[C@@H]2CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 766850672 PEDHMLYLHAXAKC-DOTOQJQBSA-N 439.335 2.331 30 10 IEEE C#CCN(C(=O)NC[C@H](C)Oc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 774235850 MQMUEXBNBVCGGG-KBPBESRZSA-N 429.336 2.048 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cnccn2)cc1 774581304 HATVMYJBKJVTFH-LJQANCHMSA-N 440.573 2.027 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)=NO1 788636133 ADYVXCDUHXYGJG-AWEZNQCLSA-N 431.468 2.016 30 10 IEEE COC(=O)c1cccc(CS(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 789579518 ROPCYVVGDDRPDQ-UHFFFAOYSA-N 427.438 2.297 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccsc2)C1 790742728 SDAKYFMLOKKBKL-LSDHHAIUSA-N 435.575 2.152 30 10 IEEE C#CCN1CCN(C(=O)CNc2cnn(-c3cc(F)c(OC)cc3F)c2CCC)CC1 795048848 AXZZHEVHDOTPTG-UHFFFAOYSA-N 431.487 2.301 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)n(-c2ccc(F)cc2)c1C 798741247 MBOQTLLYSSQMLY-AWEZNQCLSA-N 435.419 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H](c2cccnc2)C1 800441587 ORMLLNXGQPZQNL-LJQANCHMSA-N 426.521 2.331 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCOc3c(C)cccc3C)cc2C1=O 918812223 HCVPRBRWIWZENI-UHFFFAOYSA-N 436.464 2.437 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)c1 1135972908 LVARBFJVIOXXMY-UHFFFAOYSA-N 444.509 2.455 30 10 IEEE N#CC1(C[C@@H](O)CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)CCOCC1 1169072450 JKDNVIROYSUQEK-QGZVFWFLSA-N 428.493 2.055 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)cc1 1170363763 AUGCPJVYTSQXGB-QXAKKESOSA-N 445.338 2.429 30 10 IEEE COc1cc(CNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)ccc1C#N 1227902155 WYKKVNDQBAMKIL-UHFFFAOYSA-N 436.516 2.283 30 10 IEEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(c1ccccc1C#N)C1CCC1 1279121487 GTFNJFAXLBMZCU-UHFFFAOYSA-N 428.514 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc([C@@H]2CCOC2)cn1 1286271757 VHWLZGBZVRGKDG-DLBZAZTESA-N 427.553 2.055 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286394266 OIESDQKLYKHPEO-HJWYETAXSA-N 442.651 2.041 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286447363 NMPXZQLKFQUKMK-UHFFFAOYSA-N 432.528 2.239 30 10 IEEE C#CCSCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1286513543 WSIQHYUKYYEHFM-UHFFFAOYSA-N 432.638 2.077 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2C)CC1 1286650428 BVIJGRFDOCTYBP-IYBDPMFKSA-N 428.541 2.382 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1286652925 MYMDWTGIBMPSMX-UHFFFAOYSA-N 445.589 2.465 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286714143 LSGYXLPZOBMPGB-ICSRJNTNSA-N 436.516 2.036 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(Cl)ccc2C1 1286819267 FUXUOUGZOBNQHP-QGZVFWFLSA-N 449.964 2.046 30 10 IEEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1287078856 FGPQDNHSFXGWKR-UHFFFAOYSA-N 426.521 2.103 30 10 IEEE CC(C)C(=O)NCCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1287137376 BUQKDEWRNFGGQD-UHFFFAOYSA-N 425.512 2.265 30 10 IEEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1288344439 HKCJSFZIRYVTCL-UHFFFAOYSA-N 448.531 2.364 30 10 IEEE CC(C)OCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1288384649 HVEQXVHZOTWGJY-UHFFFAOYSA-N 435.536 2.087 30 10 IEEE C[C@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1291051175 AXANJBIDRPOXOP-DLBZAZTESA-N 446.577 2.245 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 1297323345 TVBRUYWICHNNCB-SFHVURJKSA-N 426.970 2.288 30 10 IEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 1298037530 IEUVYTOTRFROJC-YWZLYKJASA-N 431.541 2.207 30 10 IEEE COc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)N(C)C)cc1 1300047702 IXUJHZXTOFZXCQ-OAHLLOKOSA-N 433.516 2.439 30 10 IEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300504440 NNGSNRMBQMGTFA-PKOBYXMFSA-N 446.573 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1CC 1300558753 BDWJJUKUJOANHV-XMMPIXPASA-N 438.576 2.300 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CC2(CCOCC2)C1 1300648786 JEWPPPRSNGFWJW-UHFFFAOYSA-N 438.532 2.218 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)COC)CC1 1300691022 MNUJGTOJOITJDH-UHFFFAOYSA-N 427.549 2.390 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOC(F)(F)F)CC1 1300691470 ZZMUQUGBUDBUMQ-UHFFFAOYSA-N 437.422 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CC=CCO2)CC1 1300731407 PLOYBLMRSBALNK-JOCHJYFZSA-N 449.555 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1300788206 UGHWHJVVUSYYEL-YPAWHYETSA-N 433.622 2.360 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300870215 RHXGTKQJJIUCOB-ULBNDAFZSA-N 444.624 2.385 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1300916131 SWZIWEDELPGNJF-QGZVFWFLSA-N 439.607 2.318 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1300948080 BXMSPOLFKCEJPG-KRWDZBQOSA-N 426.521 2.103 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1300972621 NNRPPNNJVHYJHH-INIZCTEOSA-N 436.557 2.112 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301000294 PXDXDDYRWBZUDI-IBGZPJMESA-N 440.548 2.280 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1301010883 RPXBJNICPYDFQZ-PMACEKPBSA-N 425.533 2.417 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301019569 LYGSHNLVXZOWPU-RHSMWYFYSA-N 436.896 2.075 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301055389 ZPLVBDJVGLWYDN-OALUTQOASA-N 425.468 2.113 30 10 IEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1301303010 RDOLWJOBDNOHNC-UHFFFAOYSA-N 432.575 2.146 30 10 IEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC(OCC(N)=O)CC1 1301435956 CJVKOFVQVDHNIE-UHFFFAOYSA-N 426.340 2.426 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnnn2C)C1 1301545963 OJKLCMKHNFCFEB-GOSISDBHSA-N 439.520 2.311 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(C)cc2)C1 1301557897 RVTPZGILJVIQTO-AZUAARDMSA-N 446.573 2.349 30 10 IEEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1301633886 KQOKVALLTFDJDA-UHFFFAOYSA-N 428.514 2.410 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cs1 1304661931 ALFYPMFDPDUOFE-INIZCTEOSA-N 434.591 2.199 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)N2CCCC[C@H]2CS1(=O)=O 1307386188 FRUPCGWRXDIZEX-GJZGRUSLSA-N 436.559 2.497 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1314531031 VTIMYRNABVZQDB-OAQYLSRUSA-N 429.546 2.258 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1314870953 YERADXIGBHHYHM-SFHVURJKSA-N 432.475 2.009 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1315608437 GWEMTVOIEBUSJL-AZUAARDMSA-N 440.548 2.039 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC[C@H]1C 1315732589 CQSHFVASBOMRJB-ZDWFVDTJSA-N 438.532 2.068 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@H]1C 1316125769 OIUGWGFWWMSCJZ-HXUWFJFHSA-N 435.576 2.236 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)c2n[nH]cc2I)CC1 1343305018 FSBMQPPPYCBNLD-UHFFFAOYSA-N 437.241 2.401 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc(Cn3cncn3)c2)cc1 1354816530 BJMCXURLDABQLM-QQTULTPQSA-N 438.513 2.392 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)Cc1ccccc1 1358929956 LJBLTLZPZRWOMC-HXUWFJFHSA-N 443.573 2.217 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358934280 VSSHAQPAEKCITG-LJQANCHMSA-N 436.516 2.052 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(C)(=O)=O 1358988884 HEDGZFGTVNFPTB-UHFFFAOYSA-N 449.964 2.009 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1359009186 KCBHNMFHKODOQV-QGZVFWFLSA-N 432.569 2.378 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1359023930 BADMJCGGWVMRDN-VQTJNVASSA-N 437.544 2.311 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1359095908 UGLRTXGIGULHFB-UWJYYQICSA-N 443.523 2.360 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1359144290 DSUUJRQRZZGCAD-ZDUSSCGKSA-N 435.912 2.425 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359227143 UUHRSOFUBACCKA-GOSISDBHSA-N 432.594 2.462 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1359297765 BCUHNQBLEXXJBO-UHFFFAOYSA-N 434.500 2.380 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2C)C1 1359313400 LKHQHAFGJDKGHZ-MJGOQNOKSA-N 433.578 2.221 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccco2)C1 1359578535 JKRLGKSLFHJEFQ-UXLLHSPISA-N 428.493 2.419 30 10 IEEE C[C@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1360596722 FZSRKKWKMLBXLX-GOSISDBHSA-N 444.605 2.420 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)CC1(C#N)CCOCC1 1435999256 YPOKCEDKOAEWNQ-QGZVFWFLSA-N 436.553 2.109 30 10 IEEE Cc1noc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)C)n1 1463512671 IYPPOIZHMWSGLT-GOSISDBHSA-N 431.518 2.164 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1464702920 RIUFHMAANOTQHL-KSFYIVLOSA-N 432.496 2.106 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC3(CC(=O)OCC)CCOCC3)ccc2c1=O 1470493604 NSUFZIKONNEDQN-UHFFFAOYSA-N 431.514 2.103 30 10 IEEE CN1C(=O)C[C@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 1479349585 FTBCWJOAHXWDQM-GMXVVIOVSA-N 431.308 2.094 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1(C)C 1504518879 JSARYAWEUQCDCD-XUVXKRRUSA-N 441.532 2.130 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CCO1 1504723600 XWBJCFLZHDUVEA-FPOVZHCZSA-N 441.532 2.112 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1507634717 PLFQZINITIGLAV-GOSISDBHSA-N 445.589 2.335 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508094970 KEPORYKGULIHTO-UHFFFAOYSA-N 438.576 2.107 30 10 IEEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1508154520 BBAVMCSLQIDJQO-UHFFFAOYSA-N 446.602 2.427 30 10 IEEE CC(C)(Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1508714335 GTCNFCPUMCTUIR-OAHLLOKOSA-N 447.425 2.238 30 10 IEEE CCOC1CC(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)(N2CCOCC2)C1 1516367185 HIEZBVJBUDVWCI-SSPASSIJSA-N 446.596 2.180 30 10 IEEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1517097954 SFDSEAAAABOSPN-JKSUJKDBSA-N 425.411 2.267 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2ccc(F)cc2O1 1530902326 XIZIRBLDFNUHFX-IBGZPJMESA-N 437.431 2.257 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1538570761 MLTYFPKRALGXAX-KTKRTIGZSA-N 443.481 2.175 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1539065833 LCGJYRMWTQWLBB-CQSZACIVSA-N 430.450 2.055 30 10 IEEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539109194 KLXQLUYVGSWFQV-GOSISDBHSA-N 438.557 2.425 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1539434342 ILXLGXNARHJAKA-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCC(OC)CC2)CC1 1539459293 CNROCZQARJUZLM-UHFFFAOYSA-N 425.581 2.100 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2cnn(C)c2C)CC1 1539461752 KPKQJTOYORJYFH-UHFFFAOYSA-N 433.560 2.265 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539531068 RGQZVGGJFWSWLQ-GVDBMIGSSA-N 442.651 2.432 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539564010 TUFFLECKKHPWIM-PXDATVDWSA-N 449.603 2.199 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539752607 SZELQHCOXQQQQI-UHFFFAOYSA-N 441.580 2.487 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2COCCO2)CC1 1539878243 WWSZEURPCSRVGE-SFHVURJKSA-N 432.546 2.166 30 10 IEEE CCOC(=O)[C@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1540321491 NSPATPRHPGESPZ-FMPZLKCCSA-N 437.562 2.280 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@H]2C1 1540857603 HXNYXUAGGATFLM-GOSISDBHSA-N 432.569 2.099 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1540872768 ZTEVYSGETMZSMV-YGKZAACZSA-N 443.523 2.083 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnnn3-c3ccccc3)C2)C1 1542366514 QGDKIGPPZQFJOT-BXFSZVDSSA-N 437.504 2.065 30 10 IEEE N#C[C@@H](NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1cccc(C(F)(F)F)c1 1543008104 NSNTVPQFGBYNEJ-RRFJBIMHSA-N 445.405 2.356 30 10 IEEE N#C[C@H](NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1cccc(C(F)(F)F)c1 1543008113 NSNTVPQFGBYNEJ-SOUVJXGZSA-N 445.405 2.356 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H](C)O1 1546769373 FFFIDBJWXZDLBW-APWZRJJASA-N 438.532 2.259 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1554489058 ALTWHBVMYYTREA-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1555454648 DMYWEWGHNXQBQG-PGRDOPGGSA-N 443.573 2.460 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cc[nH]n1 1557179132 SGWWCZFXPUUSGR-CABCVRRESA-N 438.488 2.412 30 10 IEEE CNS(=O)(=O)c1ccc(CCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1557540148 SSIDLOWZASIEAU-UHFFFAOYSA-N 427.526 2.221 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(OCCO)CCCCC2)cc1 1562198656 WLOTWNZGRAKOTL-UHFFFAOYSA-N 425.551 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)CC1 1585925686 VUHJCSGTAIZKOM-SFHVURJKSA-N 426.473 2.156 30 10 IEEE Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1587141697 OZOQWHPMSWBBMT-MRXNPFEDSA-N 445.350 2.103 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3ccc4c(c3)C(=O)NCCO4)c(C#N)c2N)cc1 1587341281 KTRGXKMGFPHPKH-UHFFFAOYSA-N 444.495 2.119 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1587562388 ONLQDPNRDKYDPF-ZNMIVQPWSA-N 439.969 2.467 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588058703 ARMOZINFICWWMN-RTBURBONSA-N 435.638 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)C(C)(C)C 1588166899 SUGVDNCQNUMJTR-UHFFFAOYSA-N 444.557 2.152 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1588237783 DOKCQMNATXRLRI-UHFFFAOYSA-N 428.533 2.296 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCC(F)(F)F 1588629133 YTZLSSBBLAGTMY-UHFFFAOYSA-N 449.437 2.149 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(CCCCC2)O1 1588673666 WQDHLWHEEGJMKL-IBGZPJMESA-N 429.565 2.368 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1593625472 ZOSSUCQHQLBVTB-FQEVSTJZSA-N 440.548 2.145 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)CC1 1595550882 JEXCJRCCNVDYAE-KRWDZBQOSA-N 448.568 2.125 30 10 IEEE CC12CCC(CC1)N2c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1611808595 MQOZQZPQNRVMRD-UHFFFAOYSA-N 429.546 2.399 30 10 IEEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1612449274 ACMDRVLNPYEJNN-JKSUJKDBSA-N 441.561 2.280 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H](C)S1 1612918252 XMZCQVKAPBPRKF-GJZGRUSLSA-N 434.591 2.086 30 10 IEEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@]3(C)C(=[N+]([O-])O)CS(=O)(=O)[C@H]23)cc1 1615951859 YYVMHFKXEKSAPI-YFVAEKQCSA-N 435.498 2.348 30 10 IEEE C#CCN(C(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)C1CCN(C)CC1 1617453809 GLHFTMABHQAOQR-UHFFFAOYSA-N 429.565 2.244 30 10 IEEE N#C[C@]12CN(C(=O)Cc3ccc(OCCOc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1618171725 JJDIMUMWVRTWPC-WMZHIEFXSA-N 440.521 2.084 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1620002592 VIEHGQSPOAIVKQ-FUHIMQAGSA-N 439.582 2.099 30 10 IEEE N#Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)[nH]c2ccccc12 1623355317 QPAHXVLYTRZUCZ-UHFFFAOYSA-N 430.436 2.464 30 10 IEEE O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)N[C@@H]1CCN(O)C1=O 1628370512 ULOOMILUOQKNQW-OAHLLOKOSA-N 447.904 2.438 30 10 IEEE C=CCC[C@@H](NC(=O)CCn1cc(C(N)=O)c(O)nc1=O)c1ccc(C(F)(F)F)cc1 1631194182 DDVVNDYSHFQRDW-OAHLLOKOSA-N 438.406 2.280 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1633745594 WOAPPUZZNJWWFA-UHFFFAOYSA-N 428.436 2.468 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3ncc(F)cn3)CC2)C1 1638310816 OQRFAGHVIBMKAQ-UHFFFAOYSA-N 445.296 2.035 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)C1 1638397445 IEETZRWVOQVUNX-WMLDXEAASA-N 426.330 2.136 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)c1 1639573699 RHEQJRIZRPORCP-UHFFFAOYSA-N 426.372 2.417 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)c(Cl)c1 1639698498 COJXDUNBPUOBCX-QWHCGFSZSA-N 435.855 2.083 30 10 IEEE Cn1cncc1[C@H](CO)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1647837346 UABIUUVYFNESSV-SFHVURJKSA-N 435.509 2.486 30 10 IEEE COc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1648619062 FOOWZORYPFODOZ-KDOFPFPSSA-N 428.514 2.271 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)[C@H](C)CCC)nnc12 1654703677 QWKFZAHXOOGYNW-GDBMZVCRSA-N 429.546 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCO[C@H](c4ccc(C#N)cc4)C3)OC2=O)C1 1656288940 IUYXFHHJUXSZJE-MOPGFXCFSA-N 427.501 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2Cc3cccc(C#N)c3C2)C1 1675970489 DROAEEHPEXBQMP-QGZVFWFLSA-N 448.545 2.008 30 10 IEEE C#CCOc1ccccc1CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1684570555 WBCGNGLGBLJVHQ-UHFFFAOYSA-N 440.504 2.081 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc2c(c1)OCO2 1689998098 BKDODVWURWAUFN-UHFFFAOYSA-N 433.512 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN1CCOC1=O 1690001837 UBXFXZDJTVZAJA-QGZVFWFLSA-N 425.464 2.472 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1690115067 QEBGODSXEPBNCG-MJGOQNOKSA-N 445.564 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(CCOC)CC2)CC1 1690150878 YWBDDMPOSDPDMU-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1690180488 GMMUXIPZXIJCQC-UHFFFAOYSA-N 441.557 2.345 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690347527 ICVDOVIRAKKPQW-INIZCTEOSA-N 432.887 2.233 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690350931 BFOKVAJKNXTRBI-MRXNPFEDSA-N 426.974 2.296 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCc2ccccc21 1690659362 QMAPNWLZHCCSAX-SFHVURJKSA-N 431.500 2.351 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690696743 ICLKXLZAIRCIIC-VQTJNVASSA-N 430.597 2.270 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC(C)CC2)n1 1693430251 NEJJXZWQJJSHEI-OAQYLSRUSA-N 440.596 2.381 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1695596826 IDBKLLKEGUAEGK-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE Cn1cccc1-c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1696867485 HQZQLFBHWRGYMK-UHFFFAOYSA-N 436.541 2.494 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)C1 1697061532 FPHGSONVXZYKLG-IBGZPJMESA-N 432.484 2.366 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(CC)CC)N1CCOCC1 1705475609 NMFOJOVPLNAIGD-UYAOXDASSA-N 430.597 2.109 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1705511158 KDZBTRYBMJDLMC-UHFFFAOYSA-N 449.353 2.134 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](C(F)F)N1CCOCC1 1705548774 SYPWJDOZQWBTLO-MRXNPFEDSA-N 433.459 2.099 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCS(=O)(=O)C1 1705591588 FXARHAWIVXGEPN-MRXNPFEDSA-N 448.495 2.444 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705636869 ARLOBDWTXLRZAW-FQEVSTJZSA-N 440.567 2.196 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC2(O)CCC2)CC1 1705637409 WFZZYRSKYNCHFO-UHFFFAOYSA-N 439.560 2.413 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705790121 JRTPXINUHXNIEA-UHFFFAOYSA-N 425.581 2.287 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C 1705884612 SXRBWKQVWZBKQS-YOEHRIQHSA-N 437.566 2.228 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCC(C)(C)O 1706996748 AYEAXOKHVDUJQY-AWEZNQCLSA-N 433.582 2.304 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1707754049 FJEYIDVUCSMZHR-YJFMBZAYSA-N 441.561 2.395 30 10 IEEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1707785679 IKMJLLKSUHCPRG-KRWDZBQOSA-N 432.532 2.469 30 10 IEEE CCc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709090664 ZNZMNMJGXDLAKY-FCQUAONHSA-N 449.559 2.472 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1709850100 DOMLVJYSMCWNPF-MSOLQXFVSA-N 439.564 2.174 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1710732402 FLJRGXGNNXUMNL-TZIWHRDSSA-N 440.548 2.064 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)c1 1711203651 KCRSOLQTDUZDGO-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)CC(F)(F)F 1711207791 BQOGCAVFGVZRCY-IBGZPJMESA-N 435.454 2.013 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCC(F)(F)F 1722377220 SZXSTCINCFIGMG-UHFFFAOYSA-N 426.402 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)CC1 1722444888 HSOCDNYHFKKYTH-XMMPIXPASA-N 432.528 2.352 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCOCC2)C1 1722479032 FBIBIYAIESYGEH-HNNXBMFYSA-N 445.358 2.297 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccn2)CC1 1722481516 BFFFVYAWRQWDIA-UHFFFAOYSA-N 429.326 2.309 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722532179 FBERVGAGJLENGP-UHFFFAOYSA-N 430.597 2.319 30 10 IEEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1722651803 SUKJLESRIADPNA-FMQUCBEESA-N 439.545 2.315 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722682399 GUFVPOPDSYRFOD-KRWDZBQOSA-N 440.367 2.247 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1728120356 CDQZHXVEDKHRFF-ICSRJNTNSA-N 442.589 2.172 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1729930133 YEEFRHITVVUSIP-GOTSBHOMSA-N 438.532 2.212 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1730481464 PRILTAUSJDPDIM-MNOVXSKESA-N 430.303 2.482 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740572990 FAJNXEZYZAQKEJ-UHFFFAOYSA-N 438.551 2.212 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740580833 JKIFZLRIEWHIHY-LJQANCHMSA-N 442.951 2.380 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1740614863 IIIYMTUFUFATBD-SFHVURJKSA-N 444.580 2.284 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCCCC1=O 1740631071 HGFOOYOTJAAYJR-DEOSSOPVSA-N 441.576 2.184 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccsc1 1740653205 DLQLSLJPXNJJPB-QFIPXVFZSA-N 437.525 2.438 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1740694854 VYQIBYRBYIBNCM-UXHICEINSA-N 439.560 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)C2CC2)CC1 1740704188 LPPHAQZEVBPEHS-DEOSSOPVSA-N 437.544 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C)C(C)C)CC1 1740706833 FJHOMUOIBMJCNP-UHFFFAOYSA-N 440.567 2.314 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1740895857 XACKSZXVTHWBEW-UHFFFAOYSA-N 436.925 2.328 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740957638 VJCOOYLJFWVGHA-UHFFFAOYSA-N 443.552 2.411 30 10 IEEE CC(C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741341993 PUINDQJOCAVCCO-RJCBAWPRSA-N 428.537 2.059 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)Cc1ccc(F)cc1 1741657692 BZZDGVAGGIPQGO-OAQYLSRUSA-N 431.491 2.129 30 10 IEEE C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1741863600 BSRDDPJJWUVQLO-HRAATJIYSA-N 432.475 2.159 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCOCC1 1741970237 DHNWHJMCRGBFFY-MAUKXSAKSA-N 447.923 2.342 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1748846731 KORBXUVLKHEPAB-LBPRGKRZSA-N 426.830 2.309 30 10 IEEE C#CCSCCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1749047834 DTKOFAPEPSQYSU-UWJYYQICSA-N 430.578 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749133963 SDONXBJWZWIIBI-IIMJZQEZSA-N 430.578 2.282 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2sccc2n1 1749210221 DSDUPBCJJGPZQI-UHFFFAOYSA-N 445.549 2.356 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1749229603 MFIPWNQSJMMCCW-CQSZACIVSA-N 445.383 2.262 30 10 IEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1)c1ccccc1 1749383538 ZORWLHHZIBYHGC-WDSOQIARSA-N 433.578 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C 1749667086 SMUSIWJWRZOJEC-INIZCTEOSA-N 435.532 2.356 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760145264 LHGLJLGMDXAVFI-XLIONFOSSA-N 441.532 2.181 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1760178488 PIFMFUKPFBBUBP-GOSISDBHSA-N 437.466 2.422 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760183419 QBVBXNDLGJNHGT-GOSISDBHSA-N 446.573 2.288 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(C(C)=O)CC1 1760244666 CQNQQYCUWXWFSV-UHFFFAOYSA-N 440.504 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCCc1cnn(C)n1 1760247970 WOKNAIPFWSGQOS-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1760257407 VYMOZUDRBRCKEP-URXFXBBRSA-N 446.640 2.050 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760341335 UZWQRJSRWMUCNX-OAQYLSRUSA-N 444.923 2.469 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)c2)CC1 1760389248 GONNMGKFCKGILC-HXUWFJFHSA-N 445.589 2.319 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760426462 SMRHLLIYGNJMFM-IBGZPJMESA-N 440.596 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1760522926 GXKXFNGKWRCQGM-UHFFFAOYSA-N 429.475 2.116 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760528180 UTKQNDTZCPAVHJ-AWEZNQCLSA-N 448.980 2.193 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(c2nccs2)CC1 1760555521 HJRBBMCWEZXWIZ-INIZCTEOSA-N 437.591 2.223 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C2CC2)CC1 1760571268 LCPHTNHGVJCSES-OALUTQOASA-N 449.621 2.370 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CC(F)(F)F 1761358600 ARGQWFNAVMIZFU-CQSZACIVSA-N 448.457 2.153 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1761451375 SXRDGPYMOLCCCY-SJLPKXTDSA-N 447.561 2.025 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)C1 1761542729 LPPAHWAECQITHD-FQEVSTJZSA-N 432.550 2.251 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1nncn1-c1ccccc1 1762185976 GILAOBLBEPUIHC-MRXNPFEDSA-N 435.536 2.421 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)CC1 1770042489 PONXZMBGUMLJBP-KRWDZBQOSA-N 425.537 2.395 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1O 1770627934 UVWBZIRVSMUZRN-VELGLUOQSA-N 425.533 2.487 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC[C@H]2CCCO2)CCO1 1770750965 BCAKVWVIQNQSIC-WOJBJXKFSA-N 445.495 2.311 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCN(C)C1=O 1849168254 XQXCZUKOSJJDOR-ROUUACIJSA-N 439.965 2.129 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)c3[nH]nc(C(F)(F)F)c3Br)CO2)nc1 1851165851 RKPRSFBIYKROAU-QMMMGPOBSA-N 432.156 2.435 30 10 IEEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 1856095759 NCAIZUXKZGWWAS-DLBZAZTESA-N 439.603 2.032 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1(C)C 1856110019 YTICASPEBASOKV-GOSISDBHSA-N 433.574 2.113 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCCCC1 1857021656 XBJGWYWATKFPIY-SFHVURJKSA-N 431.558 2.317 30 10 IEEE CCOc1cc(/C=C/C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccc1OC 1860635970 GKZYJZKPGWXYFE-QPJJXVBHSA-N 440.456 2.328 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1C 1862605567 XQTQPAWRPQVECO-OAQYLSRUSA-N 436.464 2.481 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(C(=O)O)cc2)cc1F 1862639576 BTMUUXGHIJEUQI-GOSISDBHSA-N 429.400 2.493 30 10 IEEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)c1cc(=O)c2cc(N3CCN(C)CC3)ccc2[nH]1 1866525481 KDIGVZZMYIDULB-INIZCTEOSA-N 430.512 2.170 30 10 IEEE Cn1cccc1/C=N/n1c(Cc2ccc(Br)cc2)nnc1SCC(N)=O 1874207107 ATVAWIZFVXNIAH-KEBDBYFISA-N 433.335 2.430 30 10 IEEE CCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCCO)cc1OCC 1874436364 XLFHMXOYNGDBGO-LPYMAVHISA-N 435.550 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)CC2(C#N)CC2)C1 2025249006 ULBXFXPUYCLBQV-LJQANCHMSA-N 448.589 2.331 30 10 IEEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccc(Br)o1)c1cnccn1 2033813724 UTZKLTVJSSYCHE-NSHDSACASA-N 434.231 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@H](N)C#Cc1ccccc1Br 2227491757 WPPIXYPKKACVGT-HZPDHXFCSA-N 443.363 2.066 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2250782164 BZKUOZDUJKDWSW-ZDUSSCGKSA-N 449.495 2.189 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255835305 UUSXJXXIJQPEDQ-KBPBESRZSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874015 PYHUDCMAERULIW-OAHLLOKOSA-N 433.358 2.406 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256013000 BIGXXXSEWWVMAZ-LBPRGKRZSA-N 436.314 2.040 30 10 IEEE COC(=O)[C@@H](CC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2256597207 DLEHAMAVAMAWEU-OAHLLOKOSA-N 438.330 2.233 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256618292 PKUMEWZNERRKRM-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C 2267149876 AACHVJKSOSJLQP-CQSZACIVSA-N 448.373 2.109 30 10 IEEE C=CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2267178275 ZSJMMLNJVVIFKY-UHFFFAOYSA-N 446.357 2.015 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504735 WQMJSKNJYVEYRI-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267549621 NYBFTGZFOCIVME-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267596733 QDZQPEUEOKIDPX-WNSKOXEYSA-N 443.353 2.368 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269076590 WSYOSRPHINUWGP-CRAIPNDOSA-N 440.305 2.169 30 10 IEEE CO[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)CSC 2282830432 ULZZCOKDMNYFHH-JTQLQIEISA-N 441.833 2.357 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2283069912 UAGPXRQKMNLVSK-VQTJNVASSA-N 448.376 2.370 30 10 IEEE COc1[nH]c(=N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2317503207 KKPODSQCWDMCGI-LXZKKBNFSA-N 431.342 2.231 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC1(C)C 2337196776 OXAZJYDGKJRNJH-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Nn1c(N/N=C/c2ccccc2F)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20528151 UOYBXQCGOYCIMY-LSHDLFTRSA-N 443.464 2.079 30 10 IEEE COc1ccc(/C=N/Nc2nc(S[C@@H](C)C(=O)N(C)C)n[nH]2)cc1OCn1cccn1 59817931 YFHYHVUAHSDTHS-HSWQHBDASA-N 444.521 2.061 30 10 IEEE COc1ccc(NC(=O)COC(=O)CO/N=C(/C)c2ccc3c(c2)OCO3)cc1OC 96893561 QTYCGNBYKJQLHW-QRVIBDJDSA-N 430.413 2.355 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1csc(-c2ncccn2)n1 110530229 PYNVXXHTYLQMNT-UHFFFAOYSA-N 431.437 2.453 30 10 IEEE CCOc1c(Br)cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc1OC 169897913 VSTNDQOCMLWHPO-OCKHKDLRSA-N 425.283 2.229 30 10 IEEE COc1cccc(CN2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254382815 YZHLEDGTSBGAOD-RBUKOAKNSA-N 446.550 2.371 30 10 IEEE Cc1cc(C)cc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 444695975 NHILYVQDIVFZBW-UHFFFAOYSA-N 440.569 2.140 30 10 IEEE N#Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 460279119 DSYYDDISNSNROG-UHFFFAOYSA-N 431.489 2.293 30 10 IEEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474763195 ITPNBBIYKZXNIL-UHFFFAOYSA-N 428.514 2.267 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 480616835 VIOZFSYYWOHRFQ-LJQANCHMSA-N 432.933 2.271 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CC3)c2=O)o1 480925625 JLBBNDAQZWJZNN-UHFFFAOYSA-N 436.489 2.379 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(OC)c1 491157228 VMQBQFZCAPNLCU-SFHVURJKSA-N 431.514 2.284 30 10 IEEE COc1cc(CN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc(OC)c1 504743004 ZEVSQDLCSIEEBB-FQEVSTJZSA-N 436.468 2.439 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 508748599 RPADLKNCVXRIOU-UHFFFAOYSA-N 434.522 2.290 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 508838805 AFDMCSIKIZWFKW-WAIKUNEKSA-N 436.516 2.152 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C[C@@H]2CCCCN2C)CC1 522550449 ABDVPEKTVPUDBW-NRFANRHFSA-N 444.624 2.054 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCc2cccnc2-n2cccn2)n1 541133206 GKRZIHQEODYUGW-UHFFFAOYSA-N 446.858 2.233 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCN3CCOC[C@H]3C2)c1 544588055 DVBFRZSMFVVHAH-LJQANCHMSA-N 436.537 2.446 30 10 IEEE COC(=O)c1sc(NC(=O)C[S@@](=O)Cc2ccccc2C#N)c(C(=O)OC)c1C 586294474 CTKMHCLRXJYMKR-LJAQVGFWSA-N 434.495 2.389 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cc2)c1N 608924470 JYHZMBRHRKLWFG-UHFFFAOYSA-N 428.496 2.495 30 10 IEEE N#Cc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](S(=O)(=O)Nc4ccccc4)C3)C2=O)cc1 611613348 QCDAJZKAORIMTM-UXHICEINSA-N 438.509 2.096 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)cc1 679754748 BNJMSOFPFXORBY-LJQANCHMSA-N 438.549 2.360 30 10 IEEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730139076 PQKJBMTZJPGIAQ-CRAIPNDOSA-N 436.553 2.313 30 10 IEEE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)C1 740691829 XYYSCZQKYIGRLH-FQEVSTJZSA-N 443.467 2.006 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@H](C)c1cc2ccccc2o1 741340777 HERSSTIKNYMGIH-CULNBNSMSA-N 425.441 2.458 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@@H]2CCCCO2)CCO1 752852800 RBCMUVJTVRDGMT-OALUTQOASA-N 440.504 2.002 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnc4ccc(F)cc4c3)cc2C1=O 764246168 HRLMETZLKXFEFK-UHFFFAOYSA-N 439.424 2.275 30 10 IEEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765542292 HKZZRGFPIGXFAV-IBGZPJMESA-N 442.589 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 772544626 AJWAPSKWWLDGRQ-MRXNPFEDSA-N 439.559 2.247 30 10 IEEE C#CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783958907 ZANDPJWTAOZIOP-UHFFFAOYSA-N 436.562 2.299 30 10 IEEE C=C[C@@](C)(CCOC)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 784615075 UJYNRVICVQZSLC-FQEVSTJZSA-N 427.519 2.102 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)cc(Br)c2)n1 788694296 NVTNDVPOLZTNPQ-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)n1cnc(C#N)n1 798971655 XPTSSVYBYVJGMX-WMLDXEAASA-N 427.509 2.159 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1nnn(CC(F)(F)F)n1 799456253 RCHPTUWTEJUIJJ-UHFFFAOYSA-N 442.301 2.062 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)OCc2noc(C)c2C(=O)OCC)ccc1F 811074830 MZKGWDQWZOGYBT-UHFFFAOYSA-N 426.422 2.120 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 812263295 QEGPVYHRRLYBSR-MOPGFXCFSA-N 443.548 2.228 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)c(C(=O)OCC)c1C 814678754 FUTYNTLTYCHFBG-IMRBUKKESA-N 436.486 2.459 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCN2CCCC2=O)cc1 916720024 DWGZGJJRMLAXNK-CLCOLTQESA-N 449.577 2.414 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919077707 MFXMXUPEBHQZFE-INIZCTEOSA-N 441.459 2.161 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)NCCc3ccc(F)cc3)n[nH]2)cn1 1083965812 LQSAVBGDHDETKE-UHFFFAOYSA-N 428.497 2.223 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C(F)(F)c1ncccc1Br 1124652127 XQRMODMCQODAQT-UHFFFAOYSA-N 427.209 2.006 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)=NO2)C1 1178460552 MDFGGXSVSIADOH-INIZCTEOSA-N 440.504 2.122 30 10 IEEE CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 1198666694 WVHDJYZCQHFGKL-QIDKZVQTSA-N 435.550 2.022 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1286387044 NCIRDEOQUBAVNA-WWMYMODYSA-N 431.562 2.248 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286455542 FVWYPCIIZITOLL-QGZVFWFLSA-N 431.537 2.216 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286506442 ISSPCSFKFYLETA-ZCNNSNEGSA-N 433.622 2.433 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286627484 GMNBNMQZRRXNSQ-AWEZNQCLSA-N 434.928 2.499 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286780564 OPDHQYIOXGULOS-TZIWHRDSSA-N 438.576 2.475 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287012839 UZQLTZAINHTZBT-NSURYPBFSA-N 440.504 2.273 30 10 IEEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1287103017 OFQZDZMDOMSLMC-OPAMFIHVSA-N 448.568 2.487 30 10 IEEE Cc1occc1CN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1289215905 SHHGEAXKRYORNA-DQRAZIAOSA-N 447.499 2.328 30 10 IEEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 1290039451 HBAMBZBWDLLBNW-MRXNPFEDSA-N 428.539 2.494 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)/C=C/[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1296472268 NLHRGXOQYPHVHM-GFOMBABLSA-N 442.564 2.452 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1300275090 PTUWFVLATVVHCA-HUUCEWRRSA-N 425.468 2.226 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCC2(O)CCOCC2)c1 1300334830 VLFXEWGEADKGIE-UHFFFAOYSA-N 437.544 2.218 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)OC)CC1 1300391518 PRBMLOFGDDWNDD-UHFFFAOYSA-N 430.530 2.151 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300554018 XMYLJRHBJFVKBF-QGZVFWFLSA-N 430.553 2.135 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300767969 IIPJDUBQNSYDRG-LJQANCHMSA-N 432.615 2.443 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1300914365 CQUFHUROMZFDSY-SJORKVTESA-N 443.639 2.157 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1300949060 OMMGFMYYBLGAFE-SFHVURJKSA-N 426.496 2.474 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1300984548 DTQOQXBCXKLUAD-SFHVURJKSA-N 448.531 2.128 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)cc2)CC1 1301085381 IPKIUZMBDVPMPN-GOSISDBHSA-N 429.546 2.343 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC(F)(F)F)C1 1301547384 ZFNIOWBICPHRDU-INIZCTEOSA-N 439.438 2.414 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1301967776 GNCVUEGAPWMMQJ-HOTGVXAUSA-N 443.556 2.165 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1 1302617835 LCBUPSOHAAQTRS-SFHVURJKSA-N 428.514 2.002 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)Nc1ccccc1 1306197693 BVWKVRWCWUIGTE-UHFFFAOYSA-N 430.516 2.463 30 10 IEEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)ccc1OCCO 1315319451 UIDXTNVBQIQOGO-FUHWJXTLSA-N 429.521 2.338 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)C1 1315917083 FLLCUBQZZPNNHY-MRXNPFEDSA-N 425.518 2.410 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(C)nc2-c2ccc(C)o2)c1 1357767180 LRVQNPWAUBXVMJ-UHFFFAOYSA-N 432.480 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(O)cc1 1358971183 LCKFOUNAFUQDQU-UHFFFAOYSA-N 448.552 2.373 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1N1CCOCC1 1359013152 MVCZEBYTOLBIAZ-UHFFFAOYSA-N 436.560 2.053 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1359124892 ILDOQKQZFXDUTK-JOCHJYFZSA-N 443.552 2.022 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359136038 XKMXYKRHSKSMGE-UHFFFAOYSA-N 448.531 2.267 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359218274 DCBNZBJQZPEEOR-UHFFFAOYSA-N 431.610 2.247 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC 1359260655 KRXVLPGGBMQIRJ-KRWDZBQOSA-N 437.541 2.053 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1359336340 MMQMMIAMZKYOAS-GBESFXJTSA-N 438.594 2.373 30 10 IEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1)c1ccco1 1360726750 GZIFHMBOJCCYSB-QHCPKHFHSA-N 434.500 2.409 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1437073601 RERPLUNHKZTYDO-HXUWFJFHSA-N 440.521 2.349 30 10 IEEE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCN(O)C2=O)cc1OC 1450159525 UNVGDTCRSPCKEO-GOSISDBHSA-N 436.468 2.336 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)cn2)cc1 1454998840 AFAYUGDKBCKEON-UHFFFAOYSA-N 426.436 2.013 30 10 IEEE Cc1c(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cnn1CCC#N 1458769600 RWLBSMVSVIIWEK-SFHVURJKSA-N 427.530 2.102 30 10 IEEE COC(=O)c1ccc(OC)cc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1463990069 BKUIJZFMLOURTF-UHFFFAOYSA-N 443.525 2.296 30 10 IEEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1470411150 WMPOJBJNVDSMSY-LLVKDONJSA-N 430.313 2.144 30 10 IEEE N#Cc1cn(CCNS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c(=O)nc1O 1475509877 CHTPBTQQPRFEOQ-UHFFFAOYSA-N 446.872 2.245 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2ncc(OC)c(O)n2)cc1 1475974140 ROJQJYIEZHBJNY-UHFFFAOYSA-N 435.506 2.054 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 1476804354 LJIVXXUNFAFKMM-HNNXBMFYSA-N 447.458 2.130 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1501217633 AQIYTODMQWIGJV-OXQOHEQNSA-N 438.532 2.259 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1cccc(-n2cncn2)c1 1504887309 BIMPTWIEDAFYQE-IBGZPJMESA-N 436.520 2.168 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1Cl 1504999781 PDJOPVPGQUKKRJ-WHSLLNHNSA-N 449.939 2.292 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccccc1F 1507549081 YJMYYJLWZBGQFH-BXWFABGCSA-N 429.496 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)nc1 1507671904 SEIKZZUUYKYSGL-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC(C)(C)N2CCc3ccccc3C2)CC1 1507733165 YTRBAEGBNZBHFF-UHFFFAOYSA-N 436.604 2.407 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOc2ccccc2)CC1 1507751917 PITMTMFEULPZHE-UHFFFAOYSA-N 449.584 2.303 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1507844011 AJSTZSPBAMCPCY-SFHVURJKSA-N 439.626 2.084 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1516717932 OXWXIHOTWULHNO-LJQANCHMSA-N 447.561 2.169 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)cc1 1518207341 FLMOROCUMKQNLD-SVFBPWRDSA-N 425.533 2.352 30 10 IEEE COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@]1(C#N)CCCOC1 1525705151 MFOHWDILGLYRKA-APWZRJJASA-N 434.290 2.451 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3nnc([C@H]4CCCO4)s3)C2=O)cc1 1532708444 NNOQDZUZOMQCAM-UONOGXRCSA-N 426.458 2.105 30 10 IEEE C=CCCn1cc(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)nn1 1533776823 JEBCHEIFTHHTCF-MRXNPFEDSA-N 431.562 2.213 30 10 IEEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1cccc(Br)c1C#N 1537215858 DOWRVFOCUUVAAO-KRWDZBQOSA-N 428.286 2.399 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1538977931 YNVNDIDTHACBCT-HXOBKFHXSA-N 439.516 2.393 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1539015438 QFUSFGCEYOXEAM-AEFFLSMTSA-N 443.573 2.425 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1539024478 UQWGLMRRTHZIPI-OAHLLOKOSA-N 444.586 2.070 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCCC1(C)C 1539179464 OSJYDMFDCFYYRZ-DLBZAZTESA-N 433.553 2.471 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1539459307 CTYPAQRDZVCUOZ-UHFFFAOYSA-N 441.539 2.430 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1539751489 OFUVCDKLOSQOPQ-PMACEKPBSA-N 446.573 2.351 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCN(C)C1 1540179909 DBILNMYGFHAYSZ-QPPBQGQZSA-N 425.577 2.474 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]2C[C@H]1CO2 1540866865 CPNTWKMTGFEZAY-KBPBESRZSA-N 432.322 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1540899705 YCYGYBTYFRLHGX-UHFFFAOYSA-N 442.589 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](F)C1 1540908395 GCDFJOHVWZAHQS-ZBFHGGJFSA-N 426.489 2.391 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCn2ccnc2C1 1541806119 FKKJSKXNUHWFSB-CVEARBPZSA-N 438.561 2.467 30 10 IEEE COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)Cc1ccc(O)cc1 1542948766 FFSCTXUYCZGXAM-SFHVURJKSA-N 444.509 2.231 30 10 IEEE CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1545998826 BXXLDMGKLAAOKX-HKUYNNGSSA-N 447.547 2.066 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)CC1 1548280299 GLKAWEJFWMSABH-IBGZPJMESA-N 437.592 2.458 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1554607151 BUOLUOPREYVFOK-APWZRJJASA-N 426.521 2.068 30 10 IEEE CC(C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccc(C#N)c1 1559991664 CIIURPGPGITBMA-UHFFFAOYSA-N 444.532 2.055 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)[C@H](O)C1 1565167213 PPCRTXDBRCUKRM-UYAOXDASSA-N 443.548 2.197 30 10 IEEE Cc1nc([C@@H]2COCCN2C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)no1 1567510582 PDQYWSBZNADHPL-AQZMIJIOSA-N 431.493 2.065 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N 1586104098 JXAUBVNLPQQENL-QGZVFWFLSA-N 445.564 2.115 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NCC)CC1 1587778030 ZJQVZWVGFCOCIB-UHFFFAOYSA-N 434.548 2.172 30 10 IEEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1587999290 TTXIPBMLFHIZIR-NRFANRHFSA-N 430.512 2.499 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCc2ccccc2C1 1588088943 CTJSVRDXOOQHHR-HFZDXXHNSA-N 447.583 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589503401 CLCDKSPSTCIPRJ-ACRUOGEOSA-N 439.560 2.440 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1593721701 CHSNMYNTYFMYAV-GOSISDBHSA-N 433.578 2.364 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OCCOC)C1 1593845343 NFTBEGZRLMOFPB-SFHVURJKSA-N 444.927 2.305 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595251422 SQYDPOLFNHQPPM-QGZVFWFLSA-N 444.561 2.383 30 10 IEEE C=CCNC(=O)Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1C1(c2ccccc2)CCC1 1595593339 ASFOJJZMRPCFBM-UHFFFAOYSA-N 438.576 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccccc2)C1 1595784538 IOPUWWHCNUZNFF-IBGZPJMESA-N 427.530 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595822017 FYBFSSVYFQVUNO-MJGOQNOKSA-N 448.589 2.282 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1615208908 JMAANPLAJPFMPK-UHFFFAOYSA-N 432.735 2.309 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(F)F)CCN2C1=O 1615677400 VFOVWVNTKRNTQJ-MRXNPFEDSA-N 443.458 2.335 30 10 IEEE C#CCN(CC#CC)C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 1618792772 SOUVTJYLYSUUJL-UHFFFAOYSA-N 437.543 2.106 30 10 IEEE COc1ccc(OCCn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)cc1 1619327584 QZGLAINMOGPUOG-IBGZPJMESA-N 440.529 2.450 30 10 IEEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)NCc1ccco1 1626297736 AYEAAULBDFWAMY-FOPHHXNCSA-N 430.505 2.187 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NCCCCN1CCN(c2ncccn2)CC1 1627370516 PTISIXVFXLBGKQ-UHFFFAOYSA-N 443.349 2.443 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NCC3CCN(CC#N)CC3)cn2c1 1627910056 RSKRMWYOCRNJLO-UHFFFAOYSA-N 426.521 2.324 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)s1 1632983431 ABNYTVRYUHRYNG-GJZGRUSLSA-N 430.617 2.268 30 10 IEEE N#CCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 1636654213 BJQCZVKGYHXRSI-UHFFFAOYSA-N 428.392 2.353 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)c1 1638270922 CCMYCACPSJQELY-UHFFFAOYSA-N 440.521 2.182 30 10 IEEE COc1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc(Cl)c1OCC(N)=O 1639265369 MJKBCWZUWCQXDB-QGZVFWFLSA-N 442.903 2.435 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1640797970 LOCTUVIXROKFMN-CYBMUJFWSA-N 441.479 2.292 30 10 IEEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)Cc1ccccc1 1643016631 VSLVGXTUZBSXSO-ZHZULCJRSA-N 434.521 2.370 30 10 IEEE C#CC1(F)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)C1 1644616006 UYPCDSWZOOLVRS-UHFFFAOYSA-N 434.537 2.203 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)CC1 1648931746 FEJZZVQTFRLJCE-UHFFFAOYSA-N 432.929 2.419 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1 1649057532 UMGDPMNDPOSPAH-SIKLNZKXSA-N 426.494 2.011 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C(=O)OC 1655079706 MRZNCVFQSGRMQP-KDURUIRLSA-N 444.532 2.314 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)c1 1682384460 FZSJLYHZPIDKHM-QFIPXVFZSA-N 438.553 2.492 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)C1 1685152373 CLCISHILAJPVHL-MOPGFXCFSA-N 434.581 2.189 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 1690235878 FTWLXSCDMUQEQA-ICSRJNTNSA-N 446.596 2.236 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1690312937 HFPCXCYACIXUGW-SJORKVTESA-N 428.624 2.351 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1C 1693151520 XOISSSRVCGVWAQ-DENIHFKCSA-N 427.505 2.008 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CC[C@](F)(C#N)C2)c1 1697498408 HDFKNTPBVOSELC-QFIPXVFZSA-N 437.479 2.164 30 10 IEEE COc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1697532532 KXHGTIVMHHCJET-XDOYNYLZSA-N 447.499 2.445 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1)OC 1697767125 MPUDVMORMIVLLT-FFZOFVMBSA-N 429.521 2.251 30 10 IEEE COCCCN(C)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697990812 QXNYOTZOJADPCH-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1705477983 UXVSXHWENVMXCX-QWRGUYRKSA-N 446.396 2.219 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1705533836 RXSLPDZMMQKREO-CRAIPNDOSA-N 429.546 2.244 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705538497 QVYIKRDNDGNNRI-FQEVSTJZSA-N 429.565 2.368 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1705563780 FESMIIJILVXUQX-QGZVFWFLSA-N 425.514 2.225 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705660658 BLCXQJUAYLUQLP-FPOVZHCZSA-N 446.665 2.222 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC(=O)N(C)C)CC1 1705768190 XNOSVGIGWRNJAU-UHFFFAOYSA-N 445.593 2.263 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1705841258 URNZZDUWGQMTLE-HNNXBMFYSA-N 440.479 2.111 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(C)=O)CC1 1705880279 AJCCBVPDCKQHQD-HXUWFJFHSA-N 440.548 2.316 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(C)C)C1 1705898540 OWFKCKLKCYZXDS-LJQANCHMSA-N 429.521 2.126 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705946061 YATGSGBPYXMZSK-DOTOQJQBSA-N 433.582 2.276 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1708516000 KEHPOHBNWZCOTA-QFBILLFUSA-N 425.537 2.047 30 10 IEEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1710649120 WMQDCEBXFZVJOP-VSZNYVQBSA-N 448.568 2.435 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2cnn(C)c2)c1 1722307399 NHMKZLGLSPSQCI-UHFFFAOYSA-N 440.511 2.102 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC1CCCC1 1722346272 VPOLFVCDQFRQQU-MRXNPFEDSA-N 431.562 2.327 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722370236 MGRDQODSYMGNLT-GOSISDBHSA-N 432.521 2.423 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2ccnc2C)CC1 1722438907 GZHXSKJWMKEISV-UHFFFAOYSA-N 433.560 2.228 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722493383 JJKSDTIKJYSATL-PZJWPPBQSA-N 445.589 2.469 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722507711 IYEOORLOHWPXQK-VHPHOLNESA-N 440.610 2.411 30 10 IEEE C=CCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690238 CAUDLEMOCAIRSP-OIISXLGYSA-N 445.568 2.275 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CC2)C1 1722721533 UHKVHZJPOWPPKD-IBGZPJMESA-N 430.574 2.422 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OC)c2OC)C1 1722722120 YIGDNDMCRUBBMY-SFHVURJKSA-N 441.532 2.247 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1722865301 GNMIFFUENWSGPK-IAGOWNOFSA-N 426.521 2.033 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1723770627 BPVDDFMHLDMAAH-VBKZILBWSA-N 431.566 2.138 30 10 IEEE C[C@@H](CN(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)c1nccs1 1723807491 MSFUMGFZDSYVNL-VDMFXUGISA-N 427.534 2.378 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1723983110 JBBJIBMHDIRBPN-XERREHJYSA-N 431.468 2.091 30 10 IEEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1729343425 UWEQDVPFQLOODW-UHFFFAOYSA-N 440.548 2.066 30 10 IEEE CN(C1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1729393938 USSOMKIUTSFIPG-UHFFFAOYSA-N 440.529 2.318 30 10 IEEE COc1cc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc(Cl)c1OC 1729985650 FMHGBPVNMQCCFN-CQSZACIVSA-N 441.879 2.183 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740626622 XOKOILIKRISLQD-RHSMWYFYSA-N 433.603 2.426 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740630909 GIQOINYHVRFUMK-XMMPIXPASA-N 445.527 2.225 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)cc1OC 1740687605 CVXOGYSTOBLPMQ-UHFFFAOYSA-N 431.924 2.197 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)C2CCCCC2)CC1 1740691227 XKOJCSONBVKAHN-AUSIDOKSSA-N 433.597 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740704403 OVWAMGORJNATDI-HXUWFJFHSA-N 449.603 2.426 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740790942 PHFCSCKKNQBXLE-SFHVURJKSA-N 445.531 2.310 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1740851729 BAXWGMMPPKRKIP-UHFFFAOYSA-N 439.568 2.490 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740880714 LPQPHCBEBFENLW-FQEVSTJZSA-N 430.597 2.419 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1748481182 GEUUPHWBMFYSFB-SIKLNZKXSA-N 427.505 2.149 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1748730961 WIISAMHXEBUIPY-HBMCJLEFSA-N 442.564 2.216 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1748816070 WMNLJCZUMWSDIQ-SFHVURJKSA-N 443.573 2.092 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N(C)C)CCOCC1 1748950011 DJINFVRQQFGMQL-UHFFFAOYSA-N 442.520 2.050 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)n1 1748971243 JBLCUQBMHSISCA-SFHVURJKSA-N 449.515 2.168 30 10 IEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1749103520 AKACIWXKBHJXIR-CZUORRHYSA-N 448.321 2.366 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749230196 UXGXOLPTBNBQPO-OALUTQOASA-N 427.553 2.270 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1749424152 BHEMMNIGVVMNJA-UHFFFAOYSA-N 426.569 2.082 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749664139 GTIAGWNTCAUIPM-VFNWGFHPSA-N 431.924 2.285 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCOC1 1750070340 SIONNUITJVADSN-HOTGVXAUSA-N 431.566 2.261 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)C1 1750379087 BFYVPOYBNJAFKR-SFHVURJKSA-N 438.916 2.260 30 10 IEEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1750387728 ZMCGBFMYAWZJHP-SJORKVTESA-N 442.486 2.318 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1751016319 AGFRGNXJDLVIEV-CVDCTZTESA-N 446.596 2.169 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760182973 LCXTYGCNFCGIHO-CRAIPNDOSA-N 429.571 2.195 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1760188114 HXANJAPQQPWUKH-DOTOQJQBSA-N 432.521 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1760214342 KMILGCVPZPSKND-UHFFFAOYSA-N 429.572 2.306 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)NCC)cc1 1760233074 QGGHXFLBUROPSO-UHFFFAOYSA-N 434.500 2.263 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760250916 SVETYLGCTZIZOA-UHFFFAOYSA-N 444.580 2.207 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H]2COCCO2)CC1 1760261050 JOSJRMCGIHYQBK-OAQYLSRUSA-N 439.560 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)c2ccccc2)CC1 1760272900 DIKQSWQKITZDFB-OAQYLSRUSA-N 436.560 2.232 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760356315 KSMSXERFXYIKOU-GOSISDBHSA-N 430.597 2.318 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760512139 HSSQKQHLIKLOAU-QGZVFWFLSA-N 427.484 2.126 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1760516470 OEOYHIGAKWJBLW-UHFFFAOYSA-N 448.930 2.459 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760523724 GSPBSFFOUAHVBO-UHFFFAOYSA-N 439.520 2.473 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1766662242 BPYSPBWBILHPTG-SFHVURJKSA-N 430.578 2.029 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccco1 1767843388 GYTRAVNORUESIN-KRWDZBQOSA-N 426.502 2.300 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCCC2)CCO1 1771536251 MSZWMKIPKPZNDM-KRWDZBQOSA-N 425.493 2.003 30 10 IEEE O=C(C[C@@H]1SC(=NN=Cc2cccc([N+](=O)[O-])c2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 1772727333 LLQAWIAPXJPDDY-HNNXBMFYSA-N 442.413 2.453 30 10 IEEE C[C@H](C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1)n1nc(-c2ccccc2)ccc1=O 1849056535 JEAOFCCSMLPVOV-GOSISDBHSA-N 447.539 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851771975 ATWFMGQJNPKVRM-IBGZPJMESA-N 443.548 2.408 30 10 IEEE O=C([C@@H]1CCCCN1C(=O)c1cccnc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851781859 FOWDETKENLWUAI-AWEZNQCLSA-N 446.451 2.337 30 10 IEEE C[C@H](Oc1cccc2c(O)nccc12)C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851783508 BFUNELGUJVVVGH-KRWDZBQOSA-N 447.495 2.340 30 10 IEEE O=C(c1cncc(I)c1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852011148 JBNQBOJYVVRBSB-UHFFFAOYSA-N 447.176 2.170 30 10 IEEE Cc1cccc(OCC(=O)N2CCC[C@@H](NC(=O)Cc3cc4c(cc3C#N)OCO4)C2)c1 1852860112 ZXZQZWVDVIUTCU-LJQANCHMSA-N 435.480 2.324 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CSc3cccc4cccnc34)OCC2=O)CC1=O 1854935028 LFNJKJLIFUHZTQ-IRXDYDNUSA-N 425.510 2.115 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc3ncsc3c2)C1)[C@@H]1CCN(C)C1=O 1857076145 AHDGFHGLPXMZQC-CRAIPNDOSA-N 426.542 2.394 30 10 IEEE CCCCCCCOc1cn(CCOCCO)c(CN(CCOC)CCOC)cc1=O 1870414235 HZQKPVJNWCUCII-UHFFFAOYSA-N 442.597 2.301 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1F 1891008296 PFCQTJHKFPBXQX-UHFFFAOYSA-N 428.431 2.184 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(N)c(Br)c2)CCN1Cc1ccccc1 1914864055 XUNBZDLOIQQXOS-OAHLLOKOSA-N 435.347 2.430 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](COCc2ccccc2)(C(=O)O)C1 2009850287 ACNOYJRRURHFGC-JPYJTQIMSA-N 430.501 2.423 30 10 IEEE C=CCN(CCC(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1)C(=O)OC(C)(C)C 2010017395 NSPXYOSIFJHKAH-OAQYLSRUSA-N 441.525 2.380 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2060634923 FPKKKAHFNGPCDN-NSHDSACASA-N 446.235 2.170 30 10 IEEE C#CCN1CC[C@H](NC(=O)c2cc(Br)ccc2I)C1 2139351565 VLRNAHMGGCWEID-NSHDSACASA-N 433.087 2.491 30 10 IEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C)B1OC(C)(C)C(C)(C)O1 2243418240 XWFZFGHXTBWZJX-OAHLLOKOSA-N 430.376 2.445 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544844 GRDIJPAFDOQGPZ-YPMHNXCESA-N 430.232 2.250 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255643895 XTDLLMOHMUVYCG-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE CC[C@H](CN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255649148 QGVFWMBNUIAXDN-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC=CCNC(=O)OC(C)(C)C 2255836557 ATAZVFIAXRUGBD-UHFFFAOYSA-N 434.346 2.013 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)ns2)OC1(C)C 2258235526 HBINTVLQOZQQGH-NSHDSACASA-N 447.288 2.116 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267011397 FAKAYUYXVFPFDQ-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267141570 LAUJDLJARQUVDC-DZKIICNBSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267142163 QGDLZJCBVMSVLT-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE Cc1nn(C)c(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267146593 OOCNJWJWCKLANM-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267268346 SWJPWMZIELDVOX-UHFFFAOYSA-N 449.357 2.042 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267488230 SLMJQAOOIWKWMT-LSDHHAIUSA-N 448.373 2.235 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267515515 PRJLGXOLLXMKPU-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2267877071 RCFNSJYEKFZPMB-OAHLLOKOSA-N 446.357 2.199 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C 2296281674 NKUCVTUEAGJOAS-HLIPFELVSA-N 439.350 2.433 30 10 IEEE CN1CCN(Cc2nc3cc(NC=C4C(=O)Oc5ccccc5C4=O)ccc3n2C)CC1 2297629034 RJTJUGBXBVAVFD-UHFFFAOYSA-N 431.496 2.418 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320555977 QROAUYOSRFKVRY-ZBFHGGJFSA-N 437.321 2.343 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2334257853 QYKAZTMUJCSWPF-ZVZYQTTQSA-N 443.353 2.366 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)cc2C1=O 9702368 WHUAJKFFRWYRQD-DYVFJYSZSA-N 427.457 2.030 30 10 IEEE CC1(C)OB(c2ccc(Cn3cncc(I)c3=O)cc2)OC1(C)C 384935113 BCKNLGBHFSLOQG-UHFFFAOYSA-N 438.074 2.195 30 10 IEEE C=CCN(C(=O)CCn1nc(O)c2ccccc2c1=O)c1nc(C(=O)OCC)cs1 409813161 ANWFUNIMYMJXAV-UHFFFAOYSA-N 428.470 2.345 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)CC1 438431865 UFRKFNLMLGUBLS-UHFFFAOYSA-N 425.489 2.334 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](CO)Cc3cc(OC)cc(OC)c3)cc2C1=O 444460496 WPXTYTFOSQEDLI-INIZCTEOSA-N 438.480 2.067 30 10 IEEE COc1ccc(NC(=O)COc2cccnc2C#N)cc1S(=O)(=O)N1CCCCC1 477056187 JXSVMOVWBOGZFO-UHFFFAOYSA-N 430.486 2.154 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)CC2)cc1 482773670 RDWILWSFEGLULM-MRXNPFEDSA-N 429.502 2.190 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@]2(CCOC2)O1 485038887 FOTOYXPVEWXMAQ-OAQYLSRUSA-N 443.891 2.132 30 10 IEEE CS(=O)(=O)c1cccnc1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 488717366 ZCVHETRPHQXEIM-UHFFFAOYSA-N 441.513 2.390 30 10 IEEE Cc1onc(CC(=O)Nc2nc(CN3CCN(c4nccs4)CC3)cs2)c1C#N 500309983 FIKVKUDJHKVCAD-UHFFFAOYSA-N 429.531 2.271 30 10 IEEE Cc1ccc(CNC(=O)NCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 503706079 UUWNNSMICTTYQC-IBGZPJMESA-N 437.525 2.206 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 505139541 ODPIYLLEUDXIKJ-WMZOPIPTSA-N 441.557 2.164 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)n(Cc2ccccc2)c1C 533428948 ITTLPYYTTFNEDS-IBGZPJMESA-N 428.558 2.330 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCN=c2cc[nH]cc2)cc1 535261958 PGCQBEJRFNZQNI-UHFFFAOYSA-N 431.452 2.343 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C[C@@]2(CCOC2)O1 549487494 WOBUBKZHASZRBM-DHJUGAMNSA-N 439.516 2.292 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 549677538 WEKMWFAJSRZIPW-QGZVFWFLSA-N 437.504 2.305 30 10 IEEE Cn1cc(S(=O)(=O)N2CCC(NCc3ccc(C#N)cc3C(F)(F)F)CC2)cn1 564692364 GPXCXFWCOUUHIM-UHFFFAOYSA-N 427.452 2.253 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311275 CAKYWGMCPJBJII-UHFFFAOYSA-N 427.482 2.131 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 669805410 JGJSRTSDHSTOLG-QGZVFWFLSA-N 432.550 2.013 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 733202473 RTSSYLBJPWLRFO-WBMJQRKESA-N 441.550 2.249 30 10 IEEE CO[C@@H]1C[C@@H](N2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)C1(C)C 753356995 DARXGJCNMIAKQM-KZNAEPCWSA-N 432.590 2.500 30 10 IEEE N#Cc1cccc(N2CCN(Cn3c(=O)n(Cc4ccccc4)c4ccncc43)CC2)n1 760550688 JAPDPUBNCPMVSA-UHFFFAOYSA-N 425.496 2.293 30 10 IEEE C=CCCO[C@H](C)C(=O)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1F 761162137 AXQBRVSTFUOGNG-SECBINFHSA-N 438.271 2.161 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)ccc1OC 779571257 DHOYWEHOWOULDR-QGZVFWFLSA-N 432.521 2.155 30 10 IEEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 782981385 PNCKKTXZUXITMH-OAHLLOKOSA-N 438.431 2.208 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)OCC(=O)NC2(C#N)CCC2)[C@@H]2CCCO[C@@H]2C1(C)C 784244042 KYDNBMMUVWFWRR-RQVMVGKASA-N 435.521 2.191 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O 785651812 GXNPGNIHEWYBSS-HPPCZTNOSA-N 446.592 2.182 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)c1cnn(CC(F)(F)F)c1 790861523 JUEKQVBQZHMJRP-UHFFFAOYSA-N 426.298 2.455 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161615 TWIDIFPSLPYXQP-QFIPXVFZSA-N 432.496 2.467 30 10 IEEE CS(=O)(=O)NCCN1C(=O)/C(=C/c2ccc(C#N)cc2C(F)(F)F)SC1=S 811624505 HBTIDKKPYNBBFS-GHXNOFRVSA-N 435.474 2.327 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C)c(F)c3)c2=O)cc2c1OCCO2 839358798 VUVNQSUGKFUTPP-UHFFFAOYSA-N 449.463 2.153 30 10 IEEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CCCCC1 1136512490 AVRGMHDGUMHJSS-NZSAHSFTSA-N 438.590 2.451 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)c1ccc(C(=O)NC(C)(C)C)cc1 1142383290 HZLIAZKXJMHZPH-HNNXBMFYSA-N 442.541 2.416 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)cc1 1144698350 FWJIUIFMQUPFQB-UHFFFAOYSA-N 428.439 2.033 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(=O)OCc1ccccc1 1153194601 JQHJTJOEHSLYCL-HOTGVXAUSA-N 426.897 2.243 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)Cn1cnc2c(I)cc(F)cc2c1=O 1166383077 IVDRTTGRWUDUTE-SNVBAGLBSA-N 442.232 2.148 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C[C@@H]3CCCO3)C(=O)OCC)ccc2c1=O 1177476396 RBWAZNCMTDRGGB-YOEHRIQHSA-N 431.514 2.102 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CCO2)cc1 1179404141 AFSINXBALFHURO-IBGZPJMESA-N 435.452 2.105 30 10 IEEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)ccc1OC 1186892312 HQYNQOUNSIDJRL-CQSZACIVSA-N 428.470 2.091 30 10 IEEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1193800123 HTSJIQLIZWTSGV-UHFFFAOYSA-N 433.461 2.003 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286295678 JDRGFOWYPRVASO-RBUKOAKNSA-N 431.544 2.390 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1286451134 RZAMSGAZIRYMJP-UHFFFAOYSA-N 433.578 2.163 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccnn1C)C1CC1 1286546412 JAHPXAUFPXMAKL-APWZRJJASA-N 427.553 2.300 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(c2nc(C)no2)CC1 1286713723 DYLNQDSHYIUKGM-UHFFFAOYSA-N 429.525 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCC2(CC1)OCCO2 1286786506 FKBFAYDNVFYMJW-UHFFFAOYSA-N 426.521 2.073 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCCC)C1 1286807878 HBPDIXHYIQNQCH-MSOLQXFVSA-N 426.521 2.243 30 10 IEEE CC/C=C/Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1293667104 OJNYYNLSXMMNAO-ZZXKWVIFSA-N 443.515 2.485 30 10 IEEE CCCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294411770 RWCYYMXRODUIRL-LJQANCHMSA-N 442.568 2.187 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1294880266 KWZORCJZIOLALE-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N(CC)CC 1297287980 OWWKHQXTULNGGD-GOSISDBHSA-N 426.569 2.138 30 10 IEEE COC[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 1298057905 HNYXMYNUXOBSOL-OAHLLOKOSA-N 435.933 2.315 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1298462073 GEVAFUZPYIEKKT-UHFFFAOYSA-N 439.430 2.270 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1298586171 SHNQBLTZDLDQSF-HXUWFJFHSA-N 434.558 2.166 30 10 IEEE C#C[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1298586246 RQFBPROGECYCGO-MSOLQXFVSA-N 430.526 2.006 30 10 IEEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCCn1cnnn1 1298602227 XZORYLDBNVMTJN-UHFFFAOYSA-N 435.414 2.194 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300487863 MVCAPWHCYYLTOK-FCGDIQPGSA-N 445.589 2.114 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300489826 TVCBLHFIEGUZLU-NRFANRHFSA-N 441.601 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCO[C@@H]1C 1300560989 KIDARIPTBYLRIC-KUHUBIRLSA-N 432.322 2.039 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300601817 KYCZQAOXXQLTFU-DLBZAZTESA-N 449.552 2.298 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1300700466 QIPQOESXHAYRTL-RTBURBONSA-N 428.606 2.292 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301012580 DDBVBFHWDQHOQE-INIZCTEOSA-N 429.912 2.114 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301030176 GQQAMHNREZYNGR-OXJNMPFZSA-N 443.983 2.472 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301060316 DSNMHKKEXHWZGH-YLJYHZDGSA-N 436.944 2.383 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cs1 1301206284 FCSMMGMJSXSSLN-NRFANRHFSA-N 437.529 2.170 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C(C)(C)C)C(C)C 1301372268 WAOSOQIOMFKXKE-OALUTQOASA-N 432.613 2.225 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301496521 BTVIYWCMGKCMRZ-NRFANRHFSA-N 443.511 2.400 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1302314020 DPXUYTONUDJFOF-HXUWFJFHSA-N 449.508 2.329 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1302419047 LOIFDCHMTNYHQY-GOSISDBHSA-N 437.924 2.131 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCCS2)cc1 1302993865 HBHCTLZWKIFOCN-FUHWJXTLSA-N 426.546 2.326 30 10 IEEE CC(C)CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1303112673 IIMQNJZGSLADAF-INIZCTEOSA-N 426.587 2.081 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)Oc1ccccc1 1303685934 FTUPLCPBJQCFKB-CVEARBPZSA-N 432.550 2.096 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(C)(=O)=O 1303896357 AYMKKHIWAUFTOH-KUHUBIRLSA-N 439.488 2.434 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1314118577 DQKMXGQALJUXHD-GOTSBHOMSA-N 444.580 2.367 30 10 IEEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCOCCS(C)(=O)=O)cc1 1315405302 UZFIFRMLDQVJKI-UHFFFAOYSA-N 447.561 2.145 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCOC2)C1 1340092160 ZEEZIPJVDHPZPK-AZUAARDMSA-N 439.564 2.270 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1358947568 FKYKDVSDCNUDMU-JTSKRJEESA-N 435.569 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(N(C)C)CCSC1 1358982881 NOGBTPDPTCKGSM-QHCPKHFHSA-N 439.585 2.376 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359011395 VUXCAHHCMQRRTE-OAQYLSRUSA-N 440.567 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(OC)C2CC2)CC1 1359043793 IXHCHZIDPFYMDW-DEOSSOPVSA-N 436.560 2.429 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359225194 QHADBXVOIQUZNF-UHFFFAOYSA-N 436.564 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359332038 NADGUEIRXVWUSZ-AWEZNQCLSA-N 435.516 2.219 30 10 IEEE C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1Cc1ccccc1 1436729986 ZWEMXSFPOIAVQL-AVRDEDQJSA-N 445.523 2.496 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(C(=O)OC)c2ccccc2)s1 1466947739 TWMGFJLILBOSKV-HXUWFJFHSA-N 436.555 2.002 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 1467831986 IQZROOKYQCZXCH-RDBSUJKOSA-N 437.566 2.487 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc43)C2)nc1 1470280734 ORAJGVXSZOTEIV-DLBZAZTESA-N 425.514 2.110 30 10 IEEE C[C@@H]1OCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C(F)(F)F 1470292806 BJEFXDQHUCUAHO-GUYCJALGSA-N 447.479 2.464 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 1475094868 BXGVNSRXEDOGBS-IAGOWNOFSA-N 442.379 2.367 30 10 IEEE CCOC(=O)c1ccc(Br)c(S(=O)(=O)NCC2(C#N)CCOCC2)c1 1475777986 AAFVPFJVJFLNRY-UHFFFAOYSA-N 431.308 2.224 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1479285675 YCVLCIKERTVDQY-OAQYLSRUSA-N 442.541 2.233 30 10 IEEE CCc1nc(C)c(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)o1 1498263130 SACUZPVUOGQWGD-WMZOPIPTSA-N 443.552 2.086 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1499966300 WBMWREFNCOMKDL-XMMPIXPASA-N 446.559 2.408 30 10 IEEE CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1500458400 MAWCIJVLQISRGP-IAGOWNOFSA-N 428.541 2.179 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)CCOCC1 1503109664 UEKVVOOJXYLSOV-UHFFFAOYSA-N 425.537 2.225 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1507580977 KCYYAJUEOBJIOW-UHFFFAOYSA-N 425.566 2.223 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1507678967 FNGQOGSMJHOJSB-INIZCTEOSA-N 446.577 2.113 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1507749444 VRCYRLXXNCHBND-LJQANCHMSA-N 433.534 2.157 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1507935661 SCYZWRMYYITTHL-SFTDATJTSA-N 438.576 2.441 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1514476656 HKIOKYKAZVFDIZ-GOSISDBHSA-N 432.550 2.047 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]1(C)CC1(Br)Br 1519190118 CWKSZFPZIKYPLH-HZMBPMFUSA-N 443.143 2.281 30 10 IEEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Oc2ccc(C#N)cc2I)C1 1524881407 KKRXZIXWNFWPAD-CQSZACIVSA-N 442.253 2.342 30 10 IEEE C#C[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 1525048145 AMIPFALWCHMWTC-MRXNPFEDSA-N 446.326 2.321 30 10 IEEE COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@]1(C#N)CCCOC1 1525705154 MFOHWDILGLYRKA-VQIMIIECSA-N 434.290 2.451 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1533174192 IPPFAGRVFWECEH-IQMFZBJNSA-N 449.515 2.273 30 10 IEEE C#CCC1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)CCOCC1 1537958015 XQRIADQOIMHCNJ-UHFFFAOYSA-N 445.541 2.273 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(OC)C1CC1 1539246181 PTLJRHDGKNHMBQ-QFIPXVFZSA-N 426.542 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nc(C)c(C)s1 1539251126 YLRMZTKECUHIMY-UHFFFAOYSA-N 429.513 2.115 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OC(F)(F)F 1539414287 UHNHDZMLBOROOL-OAHLLOKOSA-N 437.422 2.262 30 10 IEEE C=C(Br)Cn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539608600 ALAVORAGOPDNLG-KBXCAEBGSA-N 443.342 2.227 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539615791 MBNFUSPGPIEFDT-FUHWJXTLSA-N 425.599 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1539636720 LXJCJCRFECQLHY-FXAWDEMLSA-N 433.578 2.116 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cc(C(F)(F)F)ccn3)CC2)cc1 1540728533 KYRRHZLNCJXRLF-UHFFFAOYSA-N 438.431 2.048 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CCOC)C1 1540899342 KUQSARUEFPRTJY-SFHVURJKSA-N 429.546 2.280 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 1541115232 ZFLDEWSJGITJPN-LHLOQNFPSA-N 438.513 2.461 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1541184768 JIOUGXLXWLQZHN-GOSISDBHSA-N 436.626 2.258 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541478286 ZQUQPBPHYKGYON-NHKNDPDJSA-N 430.553 2.254 30 10 IEEE Cn1cc(I)c(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)n1 1545084985 NZDJLIORQLRUMD-MRXNPFEDSA-N 435.269 2.182 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1546947635 BLEPWXQTMJIEHY-LJQANCHMSA-N 431.500 2.364 30 10 IEEE CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1547444835 VBGPECNUMRVKHS-FQEVSTJZSA-N 437.548 2.137 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)COc2ccccc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367811 PDLZJJWQXUYZRS-LJQANCHMSA-N 446.429 2.419 30 10 IEEE COc1ccc(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1554884766 GNYBOIDWDNCAGK-SJLPKXTDSA-N 449.515 2.360 30 10 IEEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2Cl)CC1 1555991972 BXCZOCBMLKYUFH-UHFFFAOYSA-N 429.912 2.268 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CCO2)cc1 1560182492 KFIMIZSRNGFUMJ-ZEQRLZLVSA-N 447.514 2.480 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cccn(CC)c1=O 1587926863 KESDQFICNHFVHP-UHFFFAOYSA-N 437.500 2.270 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1588266655 UAIVSRRMOPSGNS-HRCADAONSA-N 431.562 2.281 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)nn(C)c1CC 1588293411 ZFRHNRAEGHBCMI-UHFFFAOYSA-N 444.547 2.287 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1588976469 ZAYDIQJLGCVSGF-MRXNPFEDSA-N 443.577 2.427 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)C1 1595722780 NCSDZHMZPSZIQB-CVEARBPZSA-N 438.500 2.288 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1598448865 MOBXZXUGYBMCGX-DNVFCKCGSA-N 427.501 2.342 30 10 IEEE N#CCc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1611128152 HTWBVNMUXJPITH-UHFFFAOYSA-N 427.526 2.023 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1612176424 DPUBADKBWMLKGM-QGZVFWFLSA-N 445.531 2.219 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1615906048 YFKGOAQNKJLNRQ-IAGOWNOFSA-N 438.488 2.093 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)nn(C)c2C)cc1OC 1619210344 BVJFFWSSYJUXEE-KRWDZBQOSA-N 437.504 2.090 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN(CC(F)(F)CO)CC3)c2C#N)C1 1619270085 HVMZNBYHNJFDAS-AWEZNQCLSA-N 426.533 2.318 30 10 IEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C 1619881729 CKUITXRVQAGXOW-QGZVFWFLSA-N 430.578 2.249 30 10 IEEE N#Cc1c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)nc2n1CCOC2 1623340384 QMFKPNPPOZVHBD-UHFFFAOYSA-N 439.169 2.050 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)c2)c1 1623806919 OSFWJQQBEBLANY-NRFANRHFSA-N 449.507 2.218 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)c2nc(O)c(C#N)cc2C)cc1Br 1624336347 ZDAFVFKIOSSXFE-ZDUSSCGKSA-N 434.290 2.319 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@](C)(C(F)F)C1 1633531242 IJTUBUHGUVLNSI-LIRRHRJNSA-N 429.489 2.167 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1636284727 SKEWCDCNZQQYEK-KRWDZBQOSA-N 444.351 2.281 30 10 IEEE COc1ccc(C(=O)NCCCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1639049493 GAIAREDEGBTQIZ-UHFFFAOYSA-N 439.468 2.109 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 1640730112 GKLWITQAIPXVKI-UHFFFAOYSA-N 443.525 2.401 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 1642484196 LBAIYPLAPCORGK-NQIIRXRSSA-N 425.554 2.096 30 10 IEEE CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 1648571924 FANYJLFRLCQPTF-UHFFFAOYSA-N 434.496 2.470 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385299 PPRNDTWYMOKTRA-KRWDZBQOSA-N 435.521 2.334 30 10 IEEE COC(=O)[C@@H]1CN(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1654754771 HGXUSTJCUYRKHJ-QGZVFWFLSA-N 441.507 2.080 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)cc1 1662091011 SISDWIYMXJEQLT-SFTDATJTSA-N 428.510 2.123 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1666316981 ICEVDGRNNVDESB-UHFFFAOYSA-N 434.518 2.172 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@H](O)c3ccnn3C)CC2)cc1 1667957178 WWBYEUHTNHKFPY-FQEVSTJZSA-N 447.561 2.204 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)c1 1672022203 HFEOCZRSJAUBQZ-HKBQPEDESA-N 441.513 2.143 30 10 IEEE Cn1c2c(ccc1=O)[C@H](NC(=O)NCCCc1nn(-c3ccccc3)c(N)c1C#N)CCC2 1674070954 RBTOITUWOIVSHE-LJQANCHMSA-N 445.527 2.334 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1689850388 ATFDFQZOPCQSDT-PKOBYXMFSA-N 442.589 2.072 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1690419088 HIJLNGBDOMEWDQ-HNNXBMFYSA-N 437.614 2.477 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COC)C1 1690700144 OEDZCOVQZOQRQA-VQTJNVASSA-N 446.573 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690723127 IQDIVSYGKMKVKR-UHFFFAOYSA-N 449.537 2.093 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCNC(=O)C1CCC1 1692561606 JJIGBGPSCFOTHX-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705526460 GELLIRPTFKLNLP-LJQANCHMSA-N 433.560 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1705648088 NJWWHIHLQQAONY-YADARESESA-N 443.592 2.079 30 10 IEEE C#CCSCCn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1705665094 JREJIPOOGAZYJQ-AVRDEDQJSA-N 434.606 2.428 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)C)CC1 1705693136 BYEXRPLSKAIYLD-WOJBJXKFSA-N 430.597 2.416 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C)C1CC1 1705850325 PNXIKUCJJYDVFN-UHFFFAOYSA-N 431.562 2.418 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](COC)C1 1705899404 REDCKCUZXJVLRX-CQSZACIVSA-N 434.338 2.483 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705906440 DWDRJLIBMULPHO-OAHLLOKOSA-N 443.401 2.066 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1cc(F)cc(F)c1 1706864064 FBSOUFBQIACKAU-CYBMUJFWSA-N 438.504 2.149 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1706937585 NOBGVLWUQOQOQL-IAGOWNOFSA-N 438.523 2.268 30 10 IEEE CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708848692 UFXFLDPGFJPPPD-BDIWWCJBSA-N 435.532 2.417 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1COCCO1 1710564703 CBGYSVZNRQYGBF-HRAATJIYSA-N 431.468 2.113 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@@H](C)O1 1712283877 HWECAKQOYQIFQV-APWZRJJASA-N 431.562 2.172 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1712875606 QIGZXJCFBXMIJZ-IFXJQAMLSA-N 448.480 2.120 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCn1cc(CO)nn1 1722280317 RNXHEJOUGKNKQI-CQSZACIVSA-N 444.337 2.340 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1722292888 KIANMHIMZHWHMW-MSOLQXFVSA-N 433.560 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccc(C)c(F)c1 1722299687 RRURIJIXWJTPBT-KRWDZBQOSA-N 437.523 2.475 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1722314216 JZLZWOKMBIDMIP-DEOSSOPVSA-N 447.543 2.180 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1722353658 RXTWXJPELFAVMA-FQEVSTJZSA-N 433.560 2.475 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722381252 LUCNRHCYLUUEPP-ZWKOTPCHSA-N 439.482 2.246 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722535287 DLBUUXIVFJDIJE-QHCPKHFHSA-N 425.533 2.475 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1722542761 HJYSPAMWIRJVSN-CYBMUJFWSA-N 442.929 2.228 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722698285 XUKUEBMXNBZONQ-KRWDZBQOSA-N 437.523 2.440 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)C1 1722828869 GBZIUIFLNKMYSR-HXUWFJFHSA-N 432.532 2.374 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H](C)C#N 1729222372 GCAXTMGNTWBDSO-OAHLLOKOSA-N 441.561 2.337 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729413889 QKYYCMPKPBPETP-YGCDDZCOSA-N 440.479 2.084 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1729492376 HKWTZHWWFQEXPE-ICFOKQHNSA-N 437.426 2.199 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1740532977 NMGZYTOUIZOVFO-OLZOCXBDSA-N 429.468 2.413 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNc1ccccn1 1740665812 QNDBYYSAUASXNC-UHFFFAOYSA-N 428.504 2.278 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCOCC1 1740681948 GRVLWRXQCFVMKY-JOCHJYFZSA-N 436.560 2.260 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(C)cc1 1740684465 RZRRBEVZKFLYPF-UHFFFAOYSA-N 437.500 2.479 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](C)N2CCOCC2)CC1 1740690820 OHQXZTWQWMUBAH-JTHBVZDNSA-N 436.604 2.296 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)C1 1740763803 QHGURBLLNXXSJO-XMSQKQJNSA-N 425.533 2.391 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740938146 ZMALCEJEZOXPHF-MSOLQXFVSA-N 434.562 2.435 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2OCC[C@H]2C)C1 1740983546 KPYYHVHJWMXEDZ-BRWVUGGUSA-N 431.562 2.476 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(Cc2ccc(F)cc2)CC1 1741678195 CISFENNBBMAHNJ-GOSISDBHSA-N 426.496 2.307 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1742915454 WFDTZEIUOOXDFK-MRXNPFEDSA-N 426.521 2.211 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745793056 GUAQLPSSCXIJPQ-UHFFFAOYSA-N 447.499 2.015 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1748989002 DFZNAEMMIFNGKB-UHFFFAOYSA-N 430.597 2.489 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1 1748993191 QNHIYSCPKTVOEH-UHFFFAOYSA-N 442.951 2.120 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749189882 WWDSEFWWRLTWEH-GOSISDBHSA-N 426.496 2.297 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1749210289 GKBWFHCDQFDFFD-HXUWFJFHSA-N 438.532 2.459 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1750216315 PEBQXOJSPNDAOA-MJGOQNOKSA-N 444.561 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760122047 GSXFMPVARUFIEY-OKZBNKHCSA-N 444.605 2.227 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCc2ccccn2)cc1 1760201896 MGWXAUJXDQBHLN-QFIPXVFZSA-N 440.507 2.324 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCc1nnc2n1CCCCC2 1760249542 NNTXFRACOCQNRH-GOSISDBHSA-N 427.553 2.166 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760372237 CAJLARYCOLPMEA-UHFFFAOYSA-N 440.939 2.192 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760517033 AIVUWEJNVUMFNQ-GOSISDBHSA-N 441.923 2.212 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2F)CC1 1760526529 BFBFDUHCGLTPRP-UHFFFAOYSA-N 449.534 2.226 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760569483 PTLIKJGOYLUZQE-HNNXBMFYSA-N 448.618 2.246 30 10 IEEE CC(C)(C)c1nccc(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)n1 1760722066 ZVLWTALGKYOUTC-AEFFLSMTSA-N 425.537 2.231 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1760852308 PBYNWLPBCVHMRM-YLJYHZDGSA-N 440.548 2.362 30 10 IEEE CC(C)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760910904 DJKUDFAQVLZQJE-UFVMTTLYSA-N 428.537 2.181 30 10 IEEE CCc1nc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cs1 1764651316 SIHWYWZLWJKNHB-CRAIPNDOSA-N 445.593 2.246 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1765698382 FYEVVWZSYHIKPV-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C 1767114013 DEEQMAUXGRZKFI-IBGZPJMESA-N 437.592 2.458 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCSCCCO)cc1 1770735706 NJMYTMARQSFOJW-RTBURBONSA-N 440.573 2.180 30 10 IEEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1771383412 CPVPKVPHNAVJDI-AWEZNQCLSA-N 439.545 2.089 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1772555421 XTAFCCDSCAHQNA-XXBNENTESA-N 433.597 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCOC2)[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772794175 BQWUDZJFXMXTDC-ZHRRBRCNSA-N 430.457 2.405 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cn1cccn1 1854554604 LJTVHVATNMTSQE-KRWDZBQOSA-N 428.514 2.118 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862691069 XLSFRVRZDYMBHP-BBATYDOGSA-N 428.397 2.268 30 10 IEEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCC(O)CC2)cc1=O 1870559610 JFHQBHJGICPCGH-UHFFFAOYSA-N 426.513 2.077 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)c([N+](=O)[O-])c1 1892086633 MKOXOFWSZHSVHF-HNNXBMFYSA-N 432.458 2.350 30 10 IEEE C#CCCOC(=O)Nc1c(I)ncnc1I 1900723718 KCWMKBDAIHOSND-UHFFFAOYSA-N 442.982 2.258 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1954818086 VOOWYVSQMIYWGC-JOCHJYFZSA-N 428.485 2.476 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)C1 2020886560 MVMJQQSISCNPQC-HRCADAONSA-N 439.553 2.380 30 10 IEEE O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCSC1=NCc1ccccc1 2040438023 CCTYAFLGQFBELN-UHFFFAOYSA-N 445.566 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060633227 LLAIZTRXHGBRTP-JOCHJYFZSA-N 436.358 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060635890 QJJZXPGUFMPPAT-IAFLNBNSSA-N 434.342 2.171 30 10 IEEE CN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C[C@H]1C#N 2060821515 WPPCHMKDMMLRQY-HXUWFJFHSA-N 441.576 2.212 30 10 IEEE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCO 2186648020 UGVXYGJHBUMFBB-OAHLLOKOSA-N 446.550 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CS)C(=O)O 2229099976 SYKBGAOBLZZFPS-STQMWFEESA-N 447.351 2.384 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2232329345 YLWIHEGFMAUWLA-UHFFFAOYSA-N 447.341 2.392 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2244376180 RJCYNCBOJMEKLM-YCRPNKLZSA-N 427.542 2.286 30 10 IEEE C=C(CS(=O)(=O)N(C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)B1OC(C)(C)C(C)(C)O1 2247903015 ZLFCCBSPCSPFFH-HUUCEWRRSA-N 442.387 2.301 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255613409 CDBDOOMYAKLTAZ-LSDHHAIUSA-N 434.346 2.227 30 10 IEEE C[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)N(C)C(=O)OC(C)(C)C 2255615688 URUWAJFAGHUGDY-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255623515 OEYDNPWJEUGZIR-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2csc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2255624902 JYBIEYAEQZCLPF-HSZRJFAPSA-N 442.390 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255627967 AWVVUVVQYCQVSG-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255641799 WPAUVJQODIGGQO-BTTYYORXSA-N 449.382 2.285 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2255654802 DFSCROKLVURZGW-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255659239 PHYIENRLMJLNOL-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255823549 WAICOYUREIIWEY-CQSZACIVSA-N 436.362 2.095 30 10 IEEE Cn1ncc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255828760 GUBBGYWSVIXVSZ-GOSISDBHSA-N 425.338 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255862862 JWCWZTZSXZGDOY-BZUAXINKSA-N 436.358 2.442 30 10 IEEE COC(=O)C1(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)C1 2255863837 PXZYTQDLTKUFOI-OKILXGFUSA-N 438.330 2.138 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2255874957 PAHQUKORBASBAM-PEBXRYMYSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CO1 2258961138 OZFXYXHXACZQTJ-SJORKVTESA-N 436.358 2.447 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267181531 TXNRCNQAUSVIIM-WHEQGISXSA-N 447.316 2.259 30 10 IEEE COc1ccc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267199578 OKQQNYRIIINJRC-UHFFFAOYSA-N 448.325 2.275 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268654879 FPHCLLFYPFOVDQ-KSSFIOAISA-N 446.353 2.149 30 10 IEEE C#CCCN(C1CCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286026598 OLRUXWFBMAHCTB-LJQANCHMSA-N 436.530 2.052 30 10 IEEE COc1cc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 2296923936 HYCZGOVZKMNNBH-SFHVURJKSA-N 430.457 2.289 30 10 IEEE COc1cc(Br)cc(C=NNc2cnn(C)c(=O)c2Br)c1O 2322668149 SHVZVDGUSOUVGG-UHFFFAOYSA-N 432.072 2.466 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccn2)cc1OC 2325890277 MQPJDGIKILETIE-UHFFFAOYSA-N 440.529 2.325 30 10 IEEE O=C1C[C@@H](c2nnc(SCCO)n2N=Cc2cccc(O)c2)CN1Cc1ccccc1 2325925237 OJWFQEHRPUBGRJ-GOSISDBHSA-N 437.525 2.466 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccc(OC)c2)o1 2330761766 MMPDEWCQYVAESK-UHFFFAOYSA-N 443.485 2.477 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2334277056 VDILEGLUBGVTFT-OWQGQXMQSA-N 444.337 2.429 30 10 IEEE C[C@@H]1C[C@@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1Cc1ccccc1 2337293695 GALQINAPEMMSCN-IEBWSBKVSA-N 438.381 2.454 30 10 IEEE CN(Cc1c(Br)nnn1C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2372004419 SBBUKJXBFAZQNU-UHFFFAOYSA-N 426.099 2.047 30 10 IEEE CC1(C)OB(c2ccc(Cn3cc(S(C)(=O)=O)cn3)cc2Br)OC1(C)C 2377409170 JGZQFFXQKIGPBW-UHFFFAOYSA-N 441.156 2.397 30 10 IEEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(Br)cc1 10063401 HGYNCSGDZCZZRL-UHFFFAOYSA-N 439.335 2.171 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)cc1OC 20527308 AWMVQHIIUKITDG-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 27903296 OXBXPAZNFMXTTN-SFHVURJKSA-N 442.560 2.365 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)cc2C1=O 32758923 DYAKFTKLUWVYAH-UHFFFAOYSA-N 432.524 2.016 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)cc3OC)n2)s1 59016725 DHKOKXXHHCNQOU-QGMBQPNBSA-N 448.534 2.413 30 10 IEEE CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@H](C#N)C(=O)N3)CC1 72461132 PBZWAVFDQAVOCS-YJBOKZPZSA-N 435.484 2.391 30 10 IEEE CCOC(=O)c1cc(C)nc(SCC(=O)c2c(O)on[n+]2-c2ccccc2)c1C#N 83241177 NUNUORUDTVRUTJ-UHFFFAOYSA-O 425.446 2.384 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)n(-c2ccccc2)c1C 97024961 MMCIBAGSXBETAB-HXUWFJFHSA-N 449.555 2.475 30 10 IEEE C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2[C@H](O)Oc4cc(OC)c(OC)cc4[C@@]2(O)C3=O)O1 252370264 XIEXZMWPZITEKI-RFUDCGQUSA-N 426.421 2.126 30 10 IEEE biogenic Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC1(CCOCc2ccccc2)CC1 434544397 MPYUPZMNUOJTQV-UHFFFAOYSA-N 444.495 2.642 30 10 IEEE C[C@@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccc(S(=O)(=O)N(C)C)cc1 438237941 JGTLULOMQUTWSC-OAHLLOKOSA-N 438.513 2.191 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1S[C@H](C)CC#N 441221757 ALLGWILVBOKOFZ-ORNVVXIYSA-N 445.541 2.444 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 441240510 XKNWHYZKFYDZLC-LFGUQSLTSA-N 447.919 2.320 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 472687656 ZHOLFTVPLYUBRQ-LJQANCHMSA-N 431.489 2.492 30 10 IEEE N#Cc1cc(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)ccn1 477020116 NLJYANXMXSCOQT-HNNXBMFYSA-N 449.330 2.299 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](CO)Cc3ccc(F)c(F)c3)C2=O)cc1 488268331 XVCKESSYIDQROO-WIYYLYMNSA-N 442.466 2.088 30 10 IEEE C=CCOc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 505868409 HNCUGVMRBCTGSQ-NRFANRHFSA-N 437.544 2.247 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508505981 OSHTYKHPKXNLIZ-UHFFFAOYSA-N 441.923 2.117 30 10 IEEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 508814955 WSIQJISFRLFDLN-UHFFFAOYSA-N 428.500 2.100 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2ccc(Br)cc2F)CC1 523925229 RVXVKQIKVHBNHK-UHFFFAOYSA-N 441.345 2.150 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)n1 545490313 IVECAYCPRXEHIG-JOCHJYFZSA-N 440.507 2.038 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 561505817 QTXRZYZFUCCRMS-GFCCVEGCSA-N 440.294 2.082 30 10 IEEE C[C@H](Cn1ncc2ccccc21)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 573466564 WHTSQIUVOLZKHG-QGZVFWFLSA-N 437.525 2.077 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1 577251883 DYPWYSRXYZGZOT-IBGZPJMESA-N 427.530 2.342 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1C[C@H]1CCCO1 730724165 LAYCKGCKMAZLRN-NVXWUHKLSA-N 436.497 2.488 30 10 IEEE CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741340825 HJZSXEKXOUUPCD-KYAFNBKBSA-N 441.484 2.209 30 10 IEEE COc1ccc(CNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1C#N 746776265 YRUBLMSHIZPEAI-HXUWFJFHSA-N 435.528 2.264 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2cccc(OC)n2)C1=O 748035375 FLLQGXJORFVOBK-QGZVFWFLSA-N 441.513 2.316 30 10 IEEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)Cc1ccccc1C#N 756499381 IVCMKYDVZPMJFO-HNNXBMFYSA-N 427.548 2.151 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CCC2=O)cc1C 760541841 JFHYBEDGFKZQJP-RTBURBONSA-N 432.528 2.445 30 10 IEEE N#Cc1ccc(NCCNC(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)nc1 768707324 HBZGDHYGUKXPKH-UHFFFAOYSA-N 443.389 2.325 30 10 IEEE COC(=O)[C@@H](OC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)c1ccc(C#N)cc1 768709095 WNSYTTVRVIKNBH-HTAPYJJXSA-N 427.457 2.206 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3c3c(C)nn(C)c3C)ccc2c1=O 772927481 AFNKHMKXNJLROY-SFHVURJKSA-N 439.541 2.435 30 10 IEEE COC1(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CCN(C(=O)OC(C)(C)C)CC1 777364246 GFZKVEVYNAKTMX-UHFFFAOYSA-N 443.566 2.323 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 780256864 ZWSGNMZNDRFQNJ-USCONSEESA-N 431.489 2.058 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134954 XRJCOIADJFTVHK-UHFFFAOYSA-N 433.537 2.022 30 10 IEEE Cc1ccc([C@@H]2CC(=O)N(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cc1 783977913 ZQTBXGPIHJHQJZ-OAQYLSRUSA-N 438.553 2.147 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2 786418653 VEISKXADQLPTNI-UHFFFAOYSA-N 427.482 2.416 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)n1 788627165 OUZCUPDRSNPDMO-UHFFFAOYSA-N 427.505 2.297 30 10 IEEE Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 796726800 FUKGYSSADBLDSA-UHFFFAOYSA-N 448.508 2.345 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 802602094 FXIWSMLKQQHDLE-UHFFFAOYSA-N 438.532 2.387 30 10 IEEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 805589375 ZTACZNRMQYAPKN-RHSMWYFYSA-N 425.464 2.295 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 812186729 ZIPFSCKMEQLKDB-SJORKVTESA-N 448.568 2.125 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCN(Cc3ccc(C)cc3)CC2)n1C[C@H]1CCCO1 812272635 LURQOAWNUKBKBX-XMMPIXPASA-N 446.599 2.156 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 853666065 ZYVCEVNDENVKNP-QGZVFWFLSA-N 443.525 2.205 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc2ccccc2C#N)c(=O)n(-c2ccccc2)n1C 916961407 QCZSPUHOLKXHDM-VQIMIIECSA-N 443.463 2.471 30 10 IEEE CCCCC(C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)n[nH]1 1084466753 PBNYRZOCNFYZTM-UHFFFAOYSA-N 449.585 2.165 30 10 IEEE C#CCN(CC#CC)C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C 1126569730 WUTLFZDOMFZVFB-UHFFFAOYSA-N 425.533 2.172 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1134995979 LASYUIWZOUKPDV-UGSOOPFHSA-N 445.463 2.176 30 10 IEEE CC(C)(C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O 1226109921 DBITWFSZJATWRC-IEBWSBKVSA-N 425.533 2.377 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1235722724 AAQJOICBCWCIBO-CABCVRRESA-N 438.491 2.096 30 10 IEEE C#CCC1(O)CCN(C(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)CC1 1248088988 VUYBTHMEMVFKLI-UHFFFAOYSA-N 434.562 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1286300762 DNYHAZCBTJNHDE-MOPGFXCFSA-N 425.533 2.118 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](COC)OC)c1 1286311552 NPALIBUTWDGGQB-VQTJNVASSA-N 441.532 2.237 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)CN1CCN(CC)CC1 1286365550 YHDZAEKQFLOAHL-LJQANCHMSA-N 440.592 2.305 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCO[C@@H]1C 1286368404 YSRMYADNESLKKG-BFUOFWGJSA-N 435.322 2.326 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1286387666 SWGWANRSLZOBRQ-IBGZPJMESA-N 439.541 2.095 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)C(C)C 1286416905 ZPBHVUXVTXTVNE-AREMUKBSSA-N 448.615 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1nccc(C(F)F)n1 1286426136 LGWIXWXCPRDVTO-UHFFFAOYSA-N 439.426 2.245 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(F)c(F)c2)CC1 1286472344 GXRYPZRPKXFMST-QHCPKHFHSA-N 445.514 2.206 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286495479 XAQSDRYSYSNQCZ-QGZVFWFLSA-N 441.557 2.157 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286505940 CCMVCGWGQLEBLD-CABCVRRESA-N 445.511 2.043 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286507017 UHEHBNIJZQVOMN-SFHVURJKSA-N 437.635 2.306 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286541337 HXBUHCUBCRNCEW-DLBZAZTESA-N 440.386 2.382 30 10 IEEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1)C1CC1 1286739594 IFEVEFDTWKLOKL-UHFFFAOYSA-N 445.325 2.346 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1286774809 JTHGRMQQRGGUKS-MJGOQNOKSA-N 432.546 2.170 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286783584 VXKSWWYOJNSZQT-GOSISDBHSA-N 442.951 2.492 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCCCCC1 1286787321 RLTGIGKVBMTDIQ-UHFFFAOYSA-N 445.593 2.311 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1288974037 ARDGIVITGNMNJM-HXUWFJFHSA-N 448.593 2.002 30 10 IEEE O=C(CN1CCCCS1(=O)=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1289424223 GYQJNZZWCPTOJD-RKDXNWHRSA-N 444.344 2.041 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(CO)c3)CC2)c1C#N 1290576096 ACGOCNYWQKYPHU-UHFFFAOYSA-N 448.575 2.356 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1 1293136167 DGKAMJWEKXIZBO-DOTOQJQBSA-N 429.322 2.396 30 10 IEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1293838519 WXZYGHXYIVTUKR-DHIUTWEWSA-N 438.532 2.139 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCOc2ccc(C(F)(F)F)cn2)c1 1294985825 WWQCDAQSOBDVNH-UHFFFAOYSA-N 431.367 2.346 30 10 IEEE CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1297536485 WHZXTGSKOAPURO-CQSZACIVSA-N 425.482 2.206 30 10 IEEE CN(C)CCCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1298080205 XFBMMEKEICNVOJ-QFIPXVFZSA-N 447.543 2.448 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](c2ccccc2)c2nc[nH]n2)s1 1299112372 AFGOCNSFLFXKIR-GOSISDBHSA-N 431.543 2.121 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300314729 IQCAOSPWTMZDHO-AUSIDOKSSA-N 430.556 2.337 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300394936 YTWOBDZKKZTZQJ-QGZVFWFLSA-N 425.489 2.407 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1300701606 XGDMEEBPJCLGKO-HSZRJFAPSA-N 436.604 2.305 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300889698 DFPGQAUJGJKZNN-RFWXGWTQSA-N 444.624 2.249 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1300981188 SZAFGQOKQADAJF-SFHVURJKSA-N 437.552 2.044 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1301004264 WKDOVIULLKVYSK-IEBWSBKVSA-N 434.562 2.339 30 10 IEEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1301227881 KYGQKZVJEFXFNV-YJBOKZPZSA-N 430.509 2.315 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1301370504 FOEDHHQDTONUDB-SLFFLAALSA-N 430.597 2.495 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(=C)C 1301502495 JLFFDIXDTAJOTG-QGZVFWFLSA-N 448.568 2.291 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301508335 IIOZWGRZVFRRHM-RDJZCZTQSA-N 432.569 2.272 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccccc1F 1302095228 UBAPZAQIBQUPOF-APWZRJJASA-N 428.512 2.366 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C2CC2)n(C)n1 1304065841 HTZPNOKSZMLSLT-KRWDZBQOSA-N 429.546 2.067 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1306042668 FOIKFOLNUQSRRY-OAHLLOKOSA-N 434.548 2.423 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCN1C(=O)c2ccccc2C1=O 1355833410 SZPITRJEZDWBTQ-QGZVFWFLSA-N 428.489 2.376 30 10 IEEE COc1cccc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1357637656 KVQZRCUCDGIKMB-INIZCTEOSA-N 440.887 2.119 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCC1 1358886483 FDRMZLFPDJAXNU-MRXNPFEDSA-N 433.516 2.454 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCN1CC 1358941482 LSXYYLRNJOMYTA-LJQANCHMSA-N 444.605 2.139 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1359023931 BADMJCGGWVMRDN-WOJBJXKFSA-N 437.544 2.311 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1359306727 OVQUONMHOKYTOZ-SFHVURJKSA-N 440.548 2.121 30 10 IEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359309052 GONORZPOPASHIW-KRWDZBQOSA-N 433.578 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](CC(C)C)C1 1359331461 ZZIHQMCGGGWSHQ-MRXNPFEDSA-N 449.577 2.479 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1360785564 YCVNJMJASKJAED-FDDCHVKYSA-N 438.532 2.438 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)CCCN1C(=O)OC(C)(C)C 1437074668 SNKYEXNOVQORSX-MBSDFSHPSA-N 435.565 2.169 30 10 IEEE N#C[C@]12CN(C(=O)COc3ccc4ccccc4c3Br)C[C@H]1CS(=O)(=O)C2 1463164806 VFUIMNVJOOUJRE-IFXJQAMLSA-N 449.326 2.378 30 10 IEEE C[C@@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1463875832 YWPQSQNCVIVYRZ-DNVCBOLYSA-N 434.512 2.210 30 10 IEEE COc1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1OCC(=O)NC(C)C 1469871423 AKFQLXFQPDRPKM-IBGZPJMESA-N 425.485 2.276 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C1)C2 1471142932 DLLOTSRINRUFQO-LZLYRXPVSA-N 427.448 2.177 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)s1 1471759359 ZAGCHDGIARRQRU-WCQYABFASA-N 426.482 2.371 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 1478685292 CZCRIJCJBRKTGY-UHFFFAOYSA-N 430.549 2.487 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1502468767 FHYXRLDAADCAIV-FUHWJXTLSA-N 446.602 2.088 30 10 IEEE CCOc1ccccc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1502895944 DDBXDFLHHYJRCU-SJLPKXTDSA-N 431.562 2.417 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503364091 BUNDLRGBFNNGKB-UHFFFAOYSA-N 449.490 2.488 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1503391019 HIOZSGBDADKFHQ-LJQANCHMSA-N 444.605 2.418 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOCC(F)F)CCO1 1505321519 BVKXFIOZEUJHBH-OAHLLOKOSA-N 435.431 2.117 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1cccc(C(F)(F)F)n1 1507605206 OFQJCHIFERETOA-UHFFFAOYSA-N 445.405 2.488 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507624658 CTMBIQIUVHJHGO-IEBWSBKVSA-N 444.557 2.007 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccnn2C)CC1 1507759108 ANNPWSNSKXHKKE-ICSRJNTNSA-N 444.605 2.486 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN1c1cnn(C)c1 1507763306 AAOQWTFGMRGRRM-DNVFCKCGSA-N 441.580 2.397 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1507919731 HVHBYOOLEIOWNM-VGSWGCGISA-N 432.569 2.089 30 10 IEEE C=CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1507994928 AWCADPLJYQRJLX-UHFFFAOYSA-N 446.573 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)CC)CC1 1508148960 ZILVMQJVLZQTIA-GOSISDBHSA-N 425.599 2.041 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1508818097 USRQVRDHBASLNA-UHFFFAOYSA-N 431.500 2.252 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1511538313 NDRRGBMMHQDQKN-VXPUYCOJSA-N 441.561 2.397 30 10 IEEE CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)c1 1516322882 UPJDKIZMRDKFIN-JBACZVJFSA-N 441.532 2.372 30 10 IEEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCN(C)C1 1518522662 CRQPCDBCKWKGHE-HRAATJIYSA-N 430.578 2.241 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CC(F)(F)Br)C1 1521063875 VWNGBWKABZKXRL-CQSZACIVSA-N 447.215 2.435 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cnn(CCN2CCOCC2)c1 1529438569 HSPGYJRVUNVBMH-SFHVURJKSA-N 434.541 2.131 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1533649715 KNQXJFWDOUCDCQ-MOPGFXCFSA-N 441.981 2.130 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539079045 OAKKYVITVOZKQJ-GOSISDBHSA-N 437.573 2.250 30 10 IEEE N#C[C@]12CN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)C[C@H]1CS(=O)(=O)C2 1539118621 PABSJYMSJGEHHU-LHSJRXKWSA-N 430.432 2.206 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCOCCCO 1539250611 POTOKXLMUTXVBS-UHFFFAOYSA-N 435.297 2.319 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cccnc1 1539304900 JDYDDBPADPESRB-UHFFFAOYSA-N 433.537 2.449 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC2CCOCC2)CC1 1539430729 MPLPGAXLXWQUTC-XMMPIXPASA-N 445.608 2.281 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1539490617 GTFJXAFOFGYKMN-HSZRJFAPSA-N 439.585 2.461 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1539729012 FLLFCXDQVUZDQB-QFBILLFUSA-N 447.511 2.101 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539733987 XVLKCTFOHJYHBB-DNVCBOLYSA-N 445.486 2.400 30 10 IEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540856020 MHWCNYGMBJWDPH-IAQYHMDHSA-N 439.285 2.393 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CCOC)C1 1540892549 NLPPFJFCLAPSSG-HCLVMJGWSA-N 444.532 2.359 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)cc1 1542482677 APWKCBNIYFXAAM-RTWAWAEBSA-N 441.532 2.480 30 10 IEEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543078369 WZKFSKKIUJSTMI-QVKFZJNVSA-N 433.892 2.135 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1543570400 KRKBJFPLKOCCJI-JZRSTAGNSA-N 435.532 2.273 30 10 IEEE COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c1 1555023489 DREVPJLPCVIDNL-HNNXBMFYSA-N 432.550 2.075 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1555428482 DPCZGZLMYFKXHS-XZOQPEGZSA-N 441.532 2.133 30 10 IEEE COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@H]1CC[C@H](C)C1 1555536919 AMFCPMNCHCRDNY-BBWFWOEESA-N 447.561 2.335 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOCC(F)F)C1 1555986269 GZLGOGVJJWZJKI-GOSISDBHSA-N 442.467 2.383 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCOC3)n1CCCCCCO)C2 1555987270 FBRFSANCQUCJKQ-MRXNPFEDSA-N 426.521 2.260 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)cc1 1557323373 VASAJXUXTKISCH-NJDAHSKKSA-N 425.510 2.358 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C2 1558675845 RHIIQSCYNOZJKM-QGZVFWFLSA-N 430.555 2.330 30 10 IEEE C=CCc1cc(CNC(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc(OC)c1OC 1562761865 RKDFQQMNSWPGED-UHFFFAOYSA-N 440.500 2.311 30 10 IEEE N#CCC(=O)N1CCN(C(=O)Cc2ccc(Br)c(Br)c2)CC1 1566317542 BSGVIHYAXMBTFM-UHFFFAOYSA-N 429.112 2.339 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 1584728511 AWDTWPXFGNPHLG-RTWAWAEBSA-N 428.577 2.398 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1587837899 KOPCBERSHZABQD-NHCUHLMSSA-N 449.603 2.380 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1588104874 BMOGKCNTIUOPQQ-NRFANRHFSA-N 425.496 2.290 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)C 1588139053 KNVYIYPONPQXSC-MOPGFXCFSA-N 445.564 2.330 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588180145 BSBABDXZDHOZRP-AABGKKOBSA-N 431.606 2.459 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(C)(C)O)CC1 1588791145 NRDXAYUDCHOYQL-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1588975599 HRSFRIFTYXHEHA-SFHVURJKSA-N 431.537 2.500 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccsc2)CC1 1594097101 MAKZDWAVCCABDO-KRWDZBQOSA-N 437.591 2.072 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1594237317 QFJFVVYELSHAEL-LJQANCHMSA-N 445.589 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCOC[C@@H]1C 1595823982 UTSBBMGLMZXASO-SFHVURJKSA-N 434.562 2.300 30 10 IEEE N#Cc1cc(NC(=O)c2c(Br)nc3n2CCOC3)ccc1N1CCC(O)CC1 1595913141 GFWTYBKVBDNFOP-UHFFFAOYSA-N 446.305 2.261 30 10 IEEE C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607488456 IBBHYOQKWUILPA-SNVBAGLBSA-N 435.303 2.147 30 10 IEEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)CCCO1 1611801448 FRMXIQAYENFQFH-OAQYLSRUSA-N 429.546 2.399 30 10 IEEE CC/C=C\Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614288282 FXWROFXAMQIDIJ-WAYWQWQTSA-N 431.548 2.470 30 10 IEEE CCS(=O)(=O)NCCn1c(N(C)[C@H](C)CC#N)nnc1C1(c2ccccc2)CCC1 1617404512 QEJBZTYMNBFGAZ-QGZVFWFLSA-N 430.578 2.426 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1617697281 MQXGKDRCGGBQSI-NRFANRHFSA-N 447.543 2.448 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1625354307 YFYUGNHKMKXNHS-QYZOEREBSA-N 447.557 2.187 30 10 IEEE CN(CCN(C)C(=O)c1cc(F)c(C#N)c(F)c1)CCN1C(=O)c2ccccc2C1=O 1628964626 RWWCREPODZVRRH-UHFFFAOYSA-N 426.423 2.136 30 10 IEEE C=CCOC[C@H](NC(=O)c1cc(Br)cc(Br)c1N)C(=O)OC 1635158953 PEJRXGVSOSNSHC-NSHDSACASA-N 436.100 2.268 30 10 IEEE C#CCn1cc(CNC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)cn1 1640012715 IOZIOXGTXPCKAV-UHFFFAOYSA-N 434.452 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1 1640928453 KXXYIJRBEOUNPI-GOSISDBHSA-N 447.557 2.379 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](C)N(CCO)C[C@@H]2C)cc1 1643486367 KQPMDPYPMCDJSB-IRXDYDNUSA-N 439.560 2.300 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 1651801571 ARCZDBFOOHXHSA-GOSISDBHSA-N 442.497 2.223 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1653540422 NUCUYBYBXHZLOP-CQSZACIVSA-N 441.347 2.192 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 1654941405 ZOCJMJNTTRZDQN-SFTDATJTSA-N 445.995 2.227 30 10 IEEE COc1ccc(Br)c([C@H](CO)N(C)S(=O)(=O)c2cccnc2C#N)c1 1663428098 CTKGOFOWWFKFAI-HNNXBMFYSA-N 426.292 2.078 30 10 IEEE C#CC[C@@H](CO)NC(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1678354320 CIKAADWXJLJIHI-VQTJNVASSA-N 429.542 2.006 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)CC1 1682765510 LOOJVDYLJVFTAF-OXQOHEQNSA-N 428.508 2.049 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCNC(=O)c2ccco2)c1 1689873746 VPKQQWWDOCILEF-UHFFFAOYSA-N 446.511 2.310 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1689993550 GQBKKJMHFCIGNR-SFHVURJKSA-N 441.582 2.195 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(OC)CCOC1 1690092849 YUXDIVCFMJSQHP-HSZRJFAPSA-N 441.532 2.039 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690100120 XYQUVHUGVSCGCS-HSZRJFAPSA-N 446.555 2.041 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCC)CC1 1690124484 MCQCIMRGJCHSFQ-REWPJTCUSA-N 425.533 2.097 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690218401 FFCNNLAJECPZGG-QGZVFWFLSA-N 425.331 2.125 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1690528263 YRNORBIQSGMQID-DLBZAZTESA-N 433.553 2.468 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCSCC2)C1 1690710937 ZEVOXCIRWNYBIN-GOSISDBHSA-N 434.635 2.464 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncnn2C(C)(C)C)C1 1690714238 HWANFNACHDBNTD-SCTDSRPQSA-N 445.568 2.178 30 10 IEEE CC1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1692855851 FTMDCJSJVUIIIC-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE Cc1noc(C)c1[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1693521270 GDQBVUVTNSWAGN-JSGCOSHPSA-N 435.554 2.037 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C 1694777941 ANNZOAYBCOQQLT-IBGZPJMESA-N 430.516 2.041 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1698270138 BQIPPXZDDFLWJM-UHFFFAOYSA-N 444.492 2.020 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705538169 DWGVSCSQVNRQPD-UHFFFAOYSA-N 430.553 2.119 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1705559186 UACLRGYLVHGZFD-QRVBRYPASA-N 444.580 2.377 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OCC)CC1 1705654931 XWODDAFJWWAYDM-UHFFFAOYSA-N 444.517 2.498 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705730856 ONSSHJUKUSDRLL-KRWDZBQOSA-N 443.504 2.196 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705805509 ITRQLGLQUWYSEF-ZWKOTPCHSA-N 437.610 2.278 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1705861543 IIYGYRVSMCUOJO-TZIWHRDSSA-N 438.576 2.390 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1705879937 PPKRLLIJKWTADJ-MOPGFXCFSA-N 447.605 2.493 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCOC2)C1 1705929451 QYTBCIPCTNBPGF-DLBZAZTESA-N 431.562 2.478 30 10 IEEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCSCC1 1707903939 DLMNFDANKYZTLZ-UHFFFAOYSA-N 425.606 2.219 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cnnn2)C1 1712874955 HASKKZIRENRPAP-KRWDZBQOSA-N 446.288 2.226 30 10 IEEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722328982 ABQIGMIJTJOJLI-UHFFFAOYSA-N 438.557 2.378 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364809 JIZHGCDTHBQFTC-NLWGTHIKSA-N 427.574 2.327 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722366517 RHCPMSGYTCQIHO-SFHVURJKSA-N 428.489 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccnc2-n2cccn2)CC1 1722444422 JPKFSBWJMISAAI-GOSISDBHSA-N 446.559 2.386 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccccc2)CC1 1722581524 IUDAWJDMJJOWII-GCJKJVERSA-N 430.574 2.490 30 10 IEEE C=CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722609257 CQGDQJDXXPLTQI-YLJYHZDGSA-N 426.583 2.298 30 10 IEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1722647217 RFCAIRMDVIVQBF-HSZRJFAPSA-N 432.613 2.111 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722701009 CELMSOXLWODJRC-UWJYYQICSA-N 439.560 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)COCCO2)C1 1722714345 KKNGSDUMZJSOMF-WIYYLYMNSA-N 429.477 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@H]1CC 1722727331 KKJIMSZLJNEQBB-GOEBONIOSA-N 435.550 2.231 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1723641973 CCSHKLQCNQWYFU-UHFFFAOYSA-N 426.521 2.116 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(C#N)C1 1729203548 FFVNMNXNZUTBEE-HXUWFJFHSA-N 431.518 2.239 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cn[nH]c1 1729564257 DDMUQMINJQJEPY-KRWDZBQOSA-N 433.289 2.454 30 10 IEEE COCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730436203 CBQRVYDCVJPFSZ-UHFFFAOYSA-N 433.516 2.471 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1F 1731143019 GLBDBFYLTHAIFN-XLIONFOSSA-N 428.512 2.245 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740627380 PRMIEMAIYRROJE-PKOBYXMFSA-N 430.574 2.355 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)n1 1740688873 KZIYQYQNBBAZHY-UHFFFAOYSA-N 442.483 2.336 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1740898941 BBEROAUBFVROBM-MRXNPFEDSA-N 441.504 2.219 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740957482 PEFUTFRBLFARHJ-SFHVURJKSA-N 426.443 2.105 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1741127664 GKFKXPGWZVTZHB-CABCVRRESA-N 431.518 2.094 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC(F)(F)CO1 1741477815 GLKCRVOOKPJACJ-HOTGVXAUSA-N 446.506 2.278 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CC2CCS(=O)(=O)CC2)C1 1741983005 DFZSMEHKHCPBCE-OAQYLSRUSA-N 428.562 2.219 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)C1 1746536625 GDYFJJMKMMQGGB-GOSISDBHSA-N 448.618 2.476 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1748698696 WPISVXFFTRDZMV-ICSRJNTNSA-N 430.597 2.157 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1748713650 CXAZSVOCFGSUOJ-SJLPKXTDSA-N 431.562 2.430 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C(C)C)N1CCOCC1 1748773959 NKIDSPKHJSVQKP-KRWDZBQOSA-N 435.370 2.462 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)OC(C)(C)C 1748791519 UTQBQDZJHGQLKO-UHFFFAOYSA-N 440.552 2.046 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNC(=O)c1cc[nH]n1 1748799169 JMDNUVORJFOUTB-UHFFFAOYSA-N 448.314 2.386 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749352205 GXMLCWHMUNQCTB-MRXNPFEDSA-N 425.599 2.376 30 10 IEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749375378 AZHHRCCXYGMTKY-HNNXBMFYSA-N 443.577 2.086 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1749571208 KVBYNWHATKSIAD-UHFFFAOYSA-N 426.546 2.418 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1749670609 UKKRMPLYEZALTB-LBTNJELSSA-N 428.364 2.494 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 1749762049 NBSIZYNGNOOIDG-NRFANRHFSA-N 425.562 2.138 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1749980886 YYXSHOXJBKSVMH-AZUAARDMSA-N 449.559 2.084 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1751255252 VZYNAJRDMJGMRH-LVXYXVKQSA-N 430.459 2.477 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2cn(C3COC3)nn2)cc1C 1751552000 GVOCOYUZYIHQBW-QGZVFWFLSA-N 436.520 2.423 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCN(C)C 1760172657 WDKATMMHQUBROJ-UHFFFAOYSA-N 434.585 2.040 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cccc(N2CCOCC2)n1 1760177124 YBHHWNFRILIRAL-UHFFFAOYSA-N 446.555 2.421 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1760188525 BKJUMPJMHDFZLA-RTBURBONSA-N 445.614 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1cc(C)oc1C 1760194055 XRHBKGNOZOKBDH-HSZRJFAPSA-N 432.484 2.116 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(CC)c1 1760208442 STGMEHRIHMBDSN-KDURUIRLSA-N 437.548 2.386 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OCC)cc2)CC1 1760252251 OJYZMMIWIIGVJL-UHFFFAOYSA-N 438.576 2.399 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(Cl)c(OC)c2)CC1 1760257336 UIQPUMHOMSDLNL-QGZVFWFLSA-N 447.967 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@H](F)C2)CC1 1760265493 CIIMDYWPXSKMNL-LTMIRXACSA-N 447.555 2.034 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccco2)CC1 1760273183 KRRKEOAZEGUQRC-UHFFFAOYSA-N 449.511 2.473 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1760329645 GVFGHJQNTJBMLH-AWEZNQCLSA-N 425.530 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)CCC)CC1 1760520597 SWZNLDZTCVKHSG-UHFFFAOYSA-N 440.548 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC(C)(OC)C1 1760557357 ITOOHCYBNHOJBK-UHFFFAOYSA-N 434.562 2.300 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760728061 GCLLYJKUBSUASI-YRNRMSPPSA-N 438.573 2.222 30 10 IEEE CC(C)COCCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761150363 VQDMTUWQNXVZCM-UHFFFAOYSA-N 436.520 2.276 30 10 IEEE CCN(CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1765279917 YYJCUKQMACJTSK-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1768139785 JNSPIFSBZRPZGA-KRWDZBQOSA-N 443.515 2.230 30 10 IEEE CO[C@@]1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1768208672 DWMJVPZSIGABDF-FGZHOGPDSA-N 442.495 2.395 30 10 IEEE O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)ON1C(=O)c2ccccc2C1=O 1772792949 RADCJXBRSMOEBI-UHFFFAOYSA-N 427.356 2.320 30 10 IEEE C=CCN(C(=O)C1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1)[C@@H]1CCN(C)C1=O 1850862829 MMPFETMHFKCNGU-OAHLLOKOSA-N 425.455 2.266 30 10 IEEE C[C@H](C(=O)c1cccs1)N1CCN(CCOC(=O)COc2ccccc2C#N)CC1 1851891115 CLZKMPNOULWJEQ-QGZVFWFLSA-N 427.526 2.431 30 10 IEEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N(C(=S)N=CN(C)C)c1ccccc1Cl 1852300063 HCOCUHGXTOFBBP-HNNXBMFYSA-N 430.983 2.362 30 10 IEEE Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1ccc(C#N)cc1I)CC2 1852615493 BYGLXWKVPIXXOE-LLVKDONJSA-N 434.237 2.000 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)Nc2ccc(F)c(C#N)c2F)CC1 1852943869 IMCQLNYGTIHBJC-STQMWFEESA-N 434.443 2.490 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2cc(F)cc(F)c2)C2(CCCCC2)C1=O 1854446326 VMUAEPGFPMIMBN-UHFFFAOYSA-N 425.457 2.082 30 10 IEEE C=C(C)CN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)C(=O)[C@@H]1C 1854734957 AHAYIIVHLRLQQG-AWEZNQCLSA-N 432.546 2.385 30 10 IEEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1855854015 PXEQFFCNLQLZRY-ICSRJNTNSA-N 433.574 2.499 30 10 IEEE COc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)cc1 1858491897 HBUNJCLOQDWXAJ-UHFFFAOYSA-N 425.510 2.132 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1858646389 QXBMVDRIQUSAEB-KPKJPENVSA-N 444.469 2.098 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1)c1ccccc1 1861609358 NKPKMHAXFXGEBY-UGKGYDQZSA-N 449.507 2.376 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(O)c2)cc1C 1862403204 PXMBCZFCNOOJDZ-FQEVSTJZSA-N 440.452 2.129 30 10 IEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862480037 WEACAHYJFXWFCV-OAQYLSRUSA-N 436.464 2.481 30 10 IEEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCCNC=O 1862604530 DTLCXWACRPNZKP-OAQYLSRUSA-N 436.464 2.481 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870531353 GOKMEAVLQYXGFO-UHFFFAOYSA-N 448.608 2.388 30 10 IEEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc3c(c2)OCO3)cc1=O 1870815868 FURXVVJILIIGBW-UHFFFAOYSA-N 443.481 2.449 30 10 IEEE COC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(c3ccc(OC)cc3)CC2)nc1C 1872797645 QWADVFYWJYQBCO-QGZVFWFLSA-N 428.514 2.245 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccco3)CC2=O)cc1 1874198188 REZJDQPAUNEHGM-OMBDHMDGSA-N 427.486 2.367 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc3c(c2)OCCO3)CC1=O 1874279448 BMBCFLNNUBXAPJ-OOXYOOLHSA-N 445.545 2.130 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cc(C)ccc1O 1874289465 GBIAKRBFXBJBNH-LSHDLFTRSA-N 427.486 2.339 30 10 IEEE COc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1F 1889423142 JVTBFXIWPQMBMW-UHFFFAOYSA-N 431.552 2.485 30 10 IEEE C#CC1(O)CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2009819137 IDONYJSFWWGUKX-DEOSSOPVSA-N 427.545 2.143 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2c2nncs2)cc2c1OCO2 2033815742 QNYJMGHIYYDLTN-OAHLLOKOSA-N 438.421 2.453 30 10 IEEE CC(C)(C)OC(=O)NC1CC(C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060642307 VDOBMCAYDZIROW-UHFFFAOYSA-N 432.330 2.408 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cccnc1C#N 2195258866 GTJUOUZKGIRRRH-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](CO)C1 2224079823 NFDBNVVGZSNALC-WBVHZDCISA-N 433.358 2.411 30 10 IEEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243412234 ITKZZYUCRUSVPM-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE CN(CCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243416812 JKOAFCYWUXXAGE-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247906440 ZNCKHYJUNFREBE-XHSDSOJGSA-N 442.387 2.349 30 10 IEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620073 VOOZGXRNPKPBNS-NRFANRHFSA-N 436.362 2.474 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255696847 ZZUWSBURPULARY-UHFFFAOYSA-N 431.342 2.462 30 10 IEEE CN(CCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)OC(C)(C)C 2255704252 FDIROXXTKFUORM-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE CC1(C)OB(c2sccc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255801461 MXSAINGOXSOCSS-QHCPKHFHSA-N 442.390 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256677956 JEGJXSPSVSPWIL-QRQYBIJMSA-N 449.382 2.362 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267002666 CYUIOHCZWZRTML-ZBFHGGJFSA-N 448.373 2.143 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267010909 XMMYQLJBBCQRKS-CABCVRRESA-N 448.373 2.189 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)cc2)OC1(C)C 2267268247 RQZUKHIJBALIJK-JOCHJYFZSA-N 435.377 2.190 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](F)C1 2267272798 DETOIJKHBCHJFO-CVEARBPZSA-N 449.332 2.458 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(Cc2ccccc2)C1 2267527811 MPDKSPYELBCWLX-IBGZPJMESA-N 438.381 2.456 30 10 IEEE C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267870294 CGRPMCOXWDYXPH-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879820 LXIBNKDHPBAUOK-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881956 MKZMRIJHSFXYQJ-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE Cc1c(F)cc(C#N)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286034170 DDVKODFJGICQCI-QGZVFWFLSA-N 435.433 2.127 30 10 IEEE C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(NC(=O)C=CC(=O)O)ccc23)CC1 2296634662 XPOFJEIXRRHOAE-NRFANRHFSA-N 426.473 2.067 30 10 IEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 2296936137 BQGKSXHWHZBULV-QFIPXVFZSA-N 446.507 2.397 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccn1C 2330730059 GOTVNRKVSRETJV-UHFFFAOYSA-N 439.545 2.428 30 10 IEEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1F 20291825 DOIHHWTVDWZUQP-ODCIPOBUSA-N 448.415 2.355 30 10 IEEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC 33271366 GPSWOKWXVJKHPZ-INIZCTEOSA-N 443.467 2.422 30 10 IEEE COc1cc(OC)c(-c2c(C#N)c(SCC(N)=O)nc3c2CN(C)CC3)cc1OC 40569846 XXXJRMDPAOYXEU-UHFFFAOYSA-N 428.514 2.211 30 10 IEEE COc1ccc(/C=N/Nc2nc(SCCC(=O)N(C)C)n[nH]2)cc1OCn1cccn1 59817954 IMQBFJCUGUPUOR-UDWIEESQSA-N 444.521 2.063 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)cn2)CC1 108048543 KMKNQISABXRXPC-UHFFFAOYSA-N 446.559 2.004 30 10 IEEE COCCN(CCOC)C1=C(c2ccccc2OC)C(=O)N(c2ccc(C#N)cc2)C1=O 170062898 KHHCQLZDARRKPP-UHFFFAOYSA-N 435.480 2.446 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CSCCN3Cc3ccccc3)CC2)n1 429004269 DYEIJEHMSWHPHX-NRFANRHFSA-N 436.585 2.402 30 10 IEEE CC(C)Oc1ccc(NC(=O)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1C#N 435480236 FUMPQEYBFCPBOV-UHFFFAOYSA-N 440.422 2.344 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 439051190 FYQJCPYPYUFOAY-UHFFFAOYSA-N 426.498 2.005 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(C2CC2)nc(SC)c1C#N 439950406 ZZDDVEWWWVQDSU-VQHPVUNQSA-N 429.498 2.118 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2nccn3cnnc23)[C@H](C)C1 441047991 HUHQITDZUONFRJ-ZIAGYGMSSA-N 436.545 2.084 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CCC(=O)N(C)C)CC1 473206227 WJMAVGVJCPXNPN-MRXNPFEDSA-N 431.606 2.312 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C)c1=O 480964421 XZSJPMOANOWEGA-UHFFFAOYSA-N 439.562 2.305 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2OC(F)F)CC1 486641680 RGZKELLKNRBNJG-UHFFFAOYSA-N 439.415 2.445 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 507710159 VPVVMBYZFTZZRC-ZUKXXSLGSA-N 431.625 2.371 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508460767 FJQJCHLCTYLEDP-UHFFFAOYSA-N 432.488 2.040 30 10 IEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 508848311 MVAAPHRAJVKXSZ-UHFFFAOYSA-N 433.516 2.233 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1Cc1ccccc1 510136919 UIBDJFUVWCUNLJ-MSOLQXFVSA-N 437.456 2.029 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1C#N 511086630 RJKYBBZLLDKAPQ-UHFFFAOYSA-N 448.935 2.452 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 520296764 NAYQQVGANGKSBB-UHFFFAOYSA-N 434.504 2.044 30 10 IEEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@@H](Cn4cncn4)C3)c2)c1 522789199 GYKHOARGJDTYDP-HXUWFJFHSA-N 431.456 2.335 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)CC2)o1 526003663 JNNAHSJIUCYRAO-UHFFFAOYSA-N 447.492 2.389 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1Cc1ccon1 532194475 AHEOIXXYYHEGGE-UHFFFAOYSA-N 427.432 2.097 30 10 IEEE CCN1CCN(Cc2ccccc2CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 545470579 PXPABRHCOQVEIT-UHFFFAOYSA-N 447.587 2.123 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 559003283 HBYPTDJUKQUXDV-MJGOQNOKSA-N 432.546 2.041 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c(F)c1 586862218 NUKDMDMFZQCXKV-KRWDZBQOSA-N 428.851 2.279 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 604067826 BRRKZTVPHCCIEM-YADHBBJMSA-N 438.553 2.249 30 10 IEEE C=CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1nc(C(=O)OCC)cs1 609097986 MUFJGBAIWFQFPS-UHFFFAOYSA-N 448.526 2.345 30 10 IEEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670234034 SRESVLBNLOHKSR-LJQANCHMSA-N 433.516 2.486 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 679532982 FHLZUTSALPMIID-OGNFBWPZSA-N 449.573 2.047 30 10 IEEE CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)cc1 727417003 BSXKMXUNSBIJPI-UHFFFAOYSA-N 435.505 2.061 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)cc1 728831649 WCZCNHCRKVNDPM-NRFANRHFSA-N 435.459 2.187 30 10 IEEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1C(=O)Nc1ccccc1 732706113 FSWOROCXCKBCTL-IBGZPJMESA-N 431.496 2.385 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCOC[C@@H]1CCCO1 734296769 VHKCBQLYIVMASE-PKOBYXMFSA-N 442.541 2.354 30 10 IEEE C[C@H](NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc2c(c1)CCCC2 741339711 IDPSLAZFWIFNRE-RTDLDRDPSA-N 425.485 2.202 30 10 IEEE C=CCOc1ccc(C(=O)NS(=O)(=O)c2cnn(-c3cc(C)ccn3)c2)cc1OC 748999133 WVUVPMUXCMOCFW-UHFFFAOYSA-N 428.470 2.268 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(OCC)n1 760807924 WUYHEYBMVKNYPA-SFHVURJKSA-N 444.557 2.437 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763718815 NHRUAYUPSJFDMX-UHFFFAOYSA-N 428.449 2.217 30 10 IEEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1 765546223 YFFYMTQPRBJFFS-GOSISDBHSA-N 442.589 2.237 30 10 IEEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766418127 YEKXYRDTTPEHHH-LJQANCHMSA-N 440.573 2.239 30 10 IEEE N#CC(C(=O)c1cc(F)cc(F)c1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 772311244 KEAXEKIHPCJSBV-UHFFFAOYSA-N 439.399 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(Cc3cnc4ccc(C#N)cn34)C2)C(=O)C1 777219520 ANVZJJAVXPHMNT-GOSISDBHSA-N 438.532 2.250 30 10 IEEE COC1(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)CCC1 779746281 XSXTZJFKRMEKII-QGZVFWFLSA-N 436.553 2.394 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c(=O)n1Cc1ccccc1 780293563 INOUKOZKZKNRTM-UHFFFAOYSA-N 441.491 2.369 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1C#N 787854674 KZEBZMPMHLOGFB-ZDUSSCGKSA-N 427.457 2.086 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 788818960 CWIIWBLNKWTAFO-IBGZPJMESA-N 426.492 2.183 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@](C)(CO)c2ccc(O)cc2)c1 808819088 HLRWYVXBJGSRJH-QBHDBVHESA-N 446.529 2.234 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cn(C)nc1C(F)(F)F 816292233 GXHHLCXSQUNDEP-UHFFFAOYSA-N 427.364 2.121 30 10 IEEE CC(C)N1CC[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](c2cnn(C)c2)C1 849518959 UAXXMMNWGGTZGR-YADHBBJMSA-N 435.576 2.286 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(C(F)(F)F)c1 856533123 NZTFGDKVFRMMQW-LSDHHAIUSA-N 438.431 2.116 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N 1084547362 ZPNUYKPEVVHVAQ-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE C#Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1 1129116025 YLRYGPXQSIWKTA-UHFFFAOYSA-N 445.497 2.302 30 10 IEEE C#Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1141043344 VRQIENMIUXLVIE-UNMCSNQZSA-N 426.538 2.232 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1142640674 HFJBCKODKLFSDM-UHFFFAOYSA-N 425.388 2.324 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)c1 1142724744 FXXHYJOQTSBQPE-QGZVFWFLSA-N 449.326 2.203 30 10 IEEE C=C(C)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1 1154676827 ZIVJGIIKFKLKIM-WIYYLYMNSA-N 433.430 2.440 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)n1 1156618283 MUNLAZILMIAMIV-UHFFFAOYSA-N 427.505 2.225 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 1159759210 JCADAKYKSQEWRU-BWTSREIZSA-N 432.542 2.421 30 10 IEEE C#Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1180211070 VXLKOVQHGQRDQU-UHFFFAOYSA-N 439.537 2.228 30 10 IEEE NC(=O)COc1cccc2c1CCCN2CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1194524567 AHJPZGRFESVHMM-UHFFFAOYSA-N 445.441 2.490 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1286387269 PKYQFMDDYYGDDX-QGZVFWFLSA-N 442.932 2.064 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1286477319 WXGMPMFLQRLMFE-OAQYLSRUSA-N 446.603 2.344 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2)CC1 1286485059 BVGQQAYJQMQBDT-UHFFFAOYSA-N 442.951 2.084 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1286715231 XJUAYONTYIMPTN-OAHLLOKOSA-N 447.540 2.078 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1286781939 FKYDGNOHCBLCNP-INIZCTEOSA-N 426.565 2.363 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccco1 1287431984 GYVWQYYAWBFJIR-UHFFFAOYSA-N 435.488 2.035 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1289031877 GSEROJJPJWGFHY-HTXNQAPBSA-N 439.520 2.193 30 10 IEEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1293676789 XLOXGCQZZRSSBP-DDKKJVIOSA-N 431.504 2.315 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1296206400 PNXQRYXDUKCCOS-NRFANRHFSA-N 446.962 2.463 30 10 IEEE COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)N(C)C)c1 1300339369 GVMSOAPOXCGFEQ-IPELMVKDSA-N 425.537 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1300532307 RCNUUHTXDUCEBQ-QHCPKHFHSA-N 447.568 2.104 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300754190 LLPXQSLTEYADHF-UHFFFAOYSA-N 425.562 2.044 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1300772487 LFKANXDTITXUHK-DENIHFKCSA-N 427.505 2.149 30 10 IEEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(=O)(=O)N(C)C)CC1 1301130046 LRVKPIVHRSIWAH-UHFFFAOYSA-N 447.605 2.366 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301174130 MWWVTKIPUYUNFB-MRXNPFEDSA-N 432.550 2.295 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1301351549 VXFWKRHMWGXSNC-INIZCTEOSA-N 444.536 2.445 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1301854060 STGWNRCKVAFXPT-KRWDZBQOSA-N 432.475 2.451 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CC1(C(N)=O)CCOCC1 1303065659 HVOUDMNELAZIIJ-UHFFFAOYSA-N 425.537 2.388 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3cc(F)c(OCc4ccccc4)c(F)c3)C2)c(=O)nc1O 1305590376 QADFJQZPNABISL-UHFFFAOYSA-N 438.390 2.375 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)N1CCN(c2cnccc2C#N)CC1 1313379505 FKSIIXGCTVJKBF-KURKYZTESA-N 426.521 2.325 30 10 IEEE CCO[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1314058257 CQEOIPVVVONKNB-MOPGFXCFSA-N 430.553 2.228 30 10 IEEE CS(=O)(=O)C1(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1316335849 HYAVLFSOKQKPPC-SFHVURJKSA-N 437.472 2.015 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1358896685 JTAHZFORONAEJI-MRXNPFEDSA-N 428.562 2.130 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1358931809 ONZXAISUHWULLM-UHFFFAOYSA-N 445.527 2.219 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccncc1 1358949785 NCEHLDWLLCLKLN-GOSISDBHSA-N 426.521 2.294 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359060534 YLQAAXSLRPUPRQ-GVDBMIGSSA-N 445.614 2.355 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1359082211 BZMDZGCVSVOGFA-UKRRQHHQSA-N 426.359 2.432 30 10 IEEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCNS(C)(=O)=O)CC1 1359160710 AQROOCJVUSTTBV-UHFFFAOYSA-N 441.561 2.431 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359189327 HGVGSNUWCFFBKZ-ZACQAIPSSA-N 437.610 2.448 30 10 IEEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359214712 KNFPQKHSGBBXPQ-QGZVFWFLSA-N 431.541 2.338 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1359255971 PZLLIIYBHUYDMZ-DRKIFQHWSA-N 438.557 2.205 30 10 IEEE C=CCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290307 VBLHDUMHDXGODP-INDMIFKZSA-N 446.596 2.392 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2n[nH]c(C)n2)C1 1359314668 FZZAPFYZKYFXMD-KRWDZBQOSA-N 439.520 2.413 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1360460770 HAYKKKOBXKUGCB-OAHLLOKOSA-N 444.517 2.068 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)s1 1466485327 SXDKSUQOUOPFHK-AWEZNQCLSA-N 428.576 2.193 30 10 IEEE C#CCCN(CCOC)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1470459965 GJHZMVLOKYCYKX-HSZRJFAPSA-N 436.508 2.384 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CCC1 1479310107 CKJMXEFCCUCPKV-GOSISDBHSA-N 434.562 2.282 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1cnnn1C 1497133425 HXDHWGVTUWZZFU-XLIONFOSSA-N 447.547 2.117 30 10 IEEE CCc1nnc(N2CCC(C)=C(Br)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498911187 MVLZAAPKKKONFM-MSUUIHNZSA-N 435.326 2.246 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1505049247 XTTKVOBDFLXLQJ-SFHVURJKSA-N 440.548 2.173 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507580552 HMAVKJXAWKCIGX-GOSISDBHSA-N 438.532 2.416 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1507597069 SVGHFCDPSONWEZ-RTBURBONSA-N 435.594 2.374 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507631051 BBFTTZDIDIYCDS-IEBWSBKVSA-N 432.521 2.334 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1507633833 JBICSDBBNBZUBF-RBUKOAKNSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC(O)CC1 1507638296 XRTBOVBSUBGWCX-UHFFFAOYSA-N 448.571 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507646988 WPDRNBAABVGXKR-XMMPIXPASA-N 440.551 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 1507667824 SGSRNZUZRSHLPC-DENIHFKCSA-N 430.556 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nnn(C)n1 1507676047 IHLHFEUJZVJVEW-UHFFFAOYSA-N 445.314 2.199 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1507689257 IOEQFUWXMDRAOP-GOSISDBHSA-N 434.544 2.391 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)CC1 1507716927 WLAKOBZCOFSXHS-UHFFFAOYSA-N 435.919 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2=CCCCC2)CC1 1507737013 WOWKFIUTLLJIAB-XMMPIXPASA-N 441.576 2.396 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCCOC)CC1 1507742847 SMSGJPFGSMTEFM-UHFFFAOYSA-N 427.524 2.400 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507751132 KCEDIBIHQFZBQQ-XMSQKQJNSA-N 441.557 2.119 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508103586 HFFMPICPUDKQMT-ROUUACIJSA-N 432.546 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCC2)C1 1508128919 ZMBBHLWKOMFXGP-ROUUACIJSA-N 438.594 2.168 30 10 IEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 1508201809 FFPDCBGYHUOPKF-HXUWFJFHSA-N 438.532 2.212 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1508424384 PDLGZYVSMBCJCP-JGWKNBOWSA-N 425.518 2.053 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1[C@H]1C[C@@H]1C 1510190951 FBOAXSRHFJHWOI-DOXZYTNZSA-N 444.561 2.389 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H](C)O1 1512496425 FMKPNQAHCHEFME-OXVFITQMSA-N 429.546 2.253 30 10 IEEE C#CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1nccs1 1514718727 IFXJZWHYXNSKSO-UHFFFAOYSA-N 435.435 2.482 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N=c2c(C)c[nH]cc2Br)ccc1F 1532019770 MXVPTOJFSUHANT-UHFFFAOYSA-N 428.283 2.430 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 1532449752 RSXWPSCYJFYKSZ-UHFFFAOYSA-N 435.436 2.020 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539216464 SGLUKRLNHVUVLZ-RDJZCZTQSA-N 448.618 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1ccnn1 1539301309 OGJLSIXIDXTOKQ-UHFFFAOYSA-N 425.500 2.480 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1539371567 WGLGIIGTUOAVBR-QFBILLFUSA-N 430.530 2.217 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OC(F)(F)F 1539414285 UHNHDZMLBOROOL-HNNXBMFYSA-N 437.422 2.262 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540054879 XCRWQUKCZRZYPI-CQSZACIVSA-N 441.504 2.450 30 10 IEEE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1540458518 QUIFDTHIBRDAAV-UHFFFAOYSA-N 431.489 2.232 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540858269 OQWURXQRQKZNHF-SOABOVLPSA-N 433.553 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1540867744 GCSMCAJWRHKNNP-HXUWFJFHSA-N 431.544 2.353 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1540897158 BZTRGUYJFYYRHA-UHFFFAOYSA-N 428.562 2.201 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1540908147 QGSHHNLIPSUTOR-IERDGZPVSA-N 444.561 2.229 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCC[C@H]1C 1541802234 MNRSBIAFVRBMPS-HLLBOEOZSA-N 431.566 2.402 30 10 IEEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)s1 1543098186 RXHOJVABYAFMNE-HXUWFJFHSA-N 428.566 2.437 30 10 IEEE COCCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548380396 YNWGFJKBYZWDAV-KRWDZBQOSA-N 438.450 2.286 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCc3nnc4n3CCCC4)C2)C1 1556059235 QTFUOMCNZHCKJE-BNGSBABLSA-N 442.564 2.450 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C 1584857162 KXYJHQAPASRSPO-YJBOKZPZSA-N 435.546 2.318 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)s1 1586622298 PGOUHLFJHNRTHG-HIFRSBDPSA-N 443.591 2.269 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1587662821 QWTXTZRCYSTKHZ-QFBILLFUSA-N 437.523 2.081 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1587782745 AXCWWSJQWHVNDG-MRXNPFEDSA-N 449.602 2.087 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2nc(C)cs2)n1 1588723717 OVTNDLZLRCPJKQ-QGZVFWFLSA-N 441.561 2.078 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCn2cc(Cl)cn2)CC1 1588929784 GTBLCCGCXDSFGY-GOSISDBHSA-N 445.955 2.036 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@H](COC)C1 1589296373 RGGDWXLGKRCEIS-KKUMJFAQSA-N 433.347 2.151 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1589403707 CDAHWMLPATZAFY-CVEARBPZSA-N 437.342 2.183 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1589663397 MRYDEFKSQLHDIV-MRXNPFEDSA-N 449.552 2.152 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1593914204 FDMVSTXUJUIVFE-SFHVURJKSA-N 436.925 2.053 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594812180 CUIBCTMRGIZSTM-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1611293161 WGONDRGAGFOVLX-JPWUFHEYSA-N 440.895 2.258 30 10 IEEE CC[C@]1(C)CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1613711128 DOWRJBYDQPSDSH-LSGABVIPSA-N 428.537 2.467 30 10 IEEE C#Cc1cccc(N(C)C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1615691589 BGMRBJPAKIJVRP-NZSAHSFTSA-N 432.542 2.301 30 10 IEEE CCNC(=O)c1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)cc1 1615929559 WQIHXTULUOXWOP-OAHLLOKOSA-N 449.515 2.400 30 10 IEEE C[C@H]1CCc2nc(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)c(C#N)cc2C1 1617371458 TYCDIKMKUTUIRX-INIZCTEOSA-N 429.480 2.088 30 10 IEEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1625219875 GWMDKVIWLRQASI-HNNXBMFYSA-N 433.350 2.480 30 10 IEEE CCOCn1nc(C)c(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1C 1630351090 DLLLJEVNJMRBSB-HIXSDJFHSA-N 447.561 2.488 30 10 IEEE CNS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 1632243058 YQUGRVCLTKBHIH-UHFFFAOYSA-N 432.571 2.238 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)s1 1632413022 QGZYEWRLQOGZPD-UHFFFAOYSA-N 442.526 2.154 30 10 IEEE COC(=O)C[C@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCOC1 1633403818 MVGAPNHHQKMDSS-ZEDYHNJOSA-N 435.521 2.002 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)c2ccc(C#N)n2C)CC1)C(=O)OC(C)(C)C 1647784281 HHVFQQCYOHVUIH-UHFFFAOYSA-N 431.537 2.265 30 10 IEEE COc1ccc(C(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 1648676347 BBZXEOUOHWPYAF-CALCHBBNSA-N 449.573 2.412 30 10 IEEE C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648787835 YPGMMLPTQTXBOM-MRXNPFEDSA-N 430.464 2.262 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(c4ncc(C#N)cc4[N+](=O)[O-])CC3)cccc2c1 1651367548 BFPUJEWKPDQQHP-UHFFFAOYSA-N 438.469 2.229 30 10 IEEE C#CCN(C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)C1CCN(C)CC1 1668552722 MMJCBUXBNPNGFM-UHFFFAOYSA-N 440.635 2.060 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)nc1 1681193690 ZENJMKHNWUMVFM-GOSISDBHSA-N 439.495 2.110 30 10 IEEE CCO/C=C\[C@](O)(CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1681515771 LEEAWGBCXPWIQC-DUXXKABWSA-N 440.422 2.196 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1689947731 KSYDHCXJKUDGKL-QHCPKHFHSA-N 425.533 2.186 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ncccc1N(C)C 1690009621 DJKASPWDICDHQD-UHFFFAOYSA-N 428.496 2.298 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1CC1CN(C(=O)OC(C)(C)C)C1 1690032957 NBNYOILLZLDGMY-SFHVURJKSA-N 445.564 2.332 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(N)=O)nc1 1690091530 WTQOACMSSHKLAP-SFHVURJKSA-N 434.475 2.103 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCc2c[nH]nc2C)CC1 1690129449 XPQRWFYNMQJLEW-UHFFFAOYSA-N 433.560 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(F)(F)F)CC1 1690139516 PYXOMHSSXPMGMP-UHFFFAOYSA-N 436.394 2.381 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)CC[C@@H]1C 1690669280 ZZLPLXXGPBTAAU-HOTGVXAUSA-N 445.593 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCc1ccccc1 1690669557 IQHRWEPWHFMHOC-UHFFFAOYSA-N 436.516 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H](C)C#N 1690726915 QIZAQIUEUSEYRL-KRWDZBQOSA-N 426.546 2.478 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCOC1 1692575957 LSSPSDYVHOVKLY-QFIPXVFZSA-N 436.520 2.004 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1693163400 OEBNKNSNLLIZSR-ROUUACIJSA-N 429.546 2.413 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1693187213 VMUWSFAEVUNERG-GJZGRUSLSA-N 428.518 2.419 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](c1ccco1)N(C)C 1696298437 HALUVFNJYXQKFG-SFHVURJKSA-N 437.504 2.245 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(C)(C)C(=O)NC)c1 1705505796 SZKFPCZNXPHDGK-UHFFFAOYSA-N 447.543 2.112 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705515183 WMFHKUKZOMCVIE-KRWDZBQOSA-N 426.521 2.162 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1N(C)CCCC1(C)C 1705630475 UUDNFZWQNZZIBX-HXUWFJFHSA-N 427.597 2.346 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCCO)CC1 1705634359 SKEIEVNCJQSDQJ-UHFFFAOYSA-N 435.370 2.344 30 10 IEEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O)C1CC1 1705850370 RAPSMFZXQNOYIN-UHFFFAOYSA-N 440.367 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1705903764 SZPVTRIABDJWCM-UHFFFAOYSA-N 430.940 2.205 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1706013911 RBKIFVMHDMLCNO-IMQCZEGASA-N 449.559 2.179 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1710960526 GRQXEUCYEHAPLJ-UHFFFAOYSA-N 428.562 2.431 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1711116119 KEEMPESRRMUBSM-CWFNNOHCSA-N 428.518 2.354 30 10 IEEE CN(CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1711212836 ZSHCTKDAKFFIIR-CYBMUJFWSA-N 444.408 2.370 30 10 IEEE COC[C@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712177058 AEZMMNBNKFKMGT-OAQYLSRUSA-N 449.534 2.442 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722342658 UPSFWQFSVDDUPO-GCJKJVERSA-N 443.935 2.269 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722370283 BFWVYOUOEYSAAA-PMACEKPBSA-N 444.626 2.443 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)F 1722383381 HIIPJTYUECFZDX-CQSZACIVSA-N 427.427 2.222 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(N(C)C)nc1 1722426221 CURVPIJIQIXRIZ-NRFANRHFSA-N 448.527 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CC1 1722435992 UTYCFINTADFSNV-UHFFFAOYSA-N 434.544 2.158 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)O 1722654331 LKGBMAIDJUPFTL-KRWDZBQOSA-N 434.562 2.152 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@H]1OC 1722674290 AWVLKEQXXGZOGK-AZUAARDMSA-N 443.548 2.394 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722698401 FZDGWUPTFBBVGO-ROUUACIJSA-N 442.539 2.329 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1722738660 NEWKMGSNCODYHJ-LPHOPBHVSA-N 426.608 2.106 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1723774776 VYZIPILIUFIBCH-CQSZACIVSA-N 432.506 2.416 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)OC 1726845694 HHTXDFVDCMETFO-APWZRJJASA-N 425.537 2.339 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1731142238 YVHXYFMERXOURE-UYTYNIKBSA-N 446.552 2.203 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(COc2ccccc2F)nnc1N1CC=CCC1 1731218600 KYABRDBPDFAMAJ-MRCUWXFGSA-N 438.463 2.289 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740622143 VOLXKWJTIIXJJH-KRWDZBQOSA-N 427.505 2.282 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCN1C1CC1 1740632895 YEBXTCGAOXFWNE-QPPBQGQZSA-N 425.577 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccccc1Cl 1740957182 DRJVJAPTLOZVET-UHFFFAOYSA-N 427.896 2.206 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)Br)C1 1740970105 DVJOESLQZZULKB-GFCCVEGCSA-N 434.285 2.283 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1741084631 AZHJLBHCVGZLPM-HKBQPEDESA-N 440.573 2.223 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1746502159 RJWXAMXVXKIMRD-QGZVFWFLSA-N 426.521 2.116 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1747901490 PZKBLODFSGABEG-OAQYLSRUSA-N 433.516 2.481 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1748712480 IUYLYQXQBRACBQ-IBGZPJMESA-N 435.532 2.219 30 10 IEEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748780339 TZCDJNXRSHOQSM-AOIWGVFYSA-N 438.532 2.434 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749040039 KHJOPIMMOAIOKP-UHFFFAOYSA-N 438.532 2.031 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1749054841 ZGTJUZVFTOXPFU-YLJYHZDGSA-N 436.626 2.145 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749210141 CSPOPQINRGUTNO-QZTJIDSGSA-N 425.599 2.389 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(n2)CCCC3)CC1 1749287139 XMGGRXGBTWUYSF-INIZCTEOSA-N 430.578 2.367 30 10 IEEE C=CCn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749646403 QLTHCWNZDLQEFQ-OAQYLSRUSA-N 428.493 2.351 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749676845 GAMMKFGFOFUTPR-UHFFFAOYSA-N 429.468 2.126 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749677304 VMROSAQXHRUTEY-OALUTQOASA-N 425.533 2.065 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(C)(C)O)C1 1749704911 CEHJUPNECQDZGV-INIZCTEOSA-N 438.532 2.134 30 10 IEEE COCCN1C[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@@H](C)C#N)CC1=O 1749865299 WAAGAYDLTILNNP-JKSUJKDBSA-N 446.502 2.238 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](c4nccs4)C3)n2CCOCCCO)cc1 1750382876 LIMORKUTHRXZGL-SFHVURJKSA-N 440.529 2.250 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1750387396 XXPHGTJCVLGDLA-NWDGAFQWSA-N 443.252 2.189 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750583528 APMNEMPTOHZJST-GCJKJVERSA-N 425.537 2.130 30 10 IEEE CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1750595161 ZWAHFIYCOREUPE-KSZLIROESA-N 448.568 2.450 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1760129736 XJYRRLAVRKETOJ-UHFFFAOYSA-N 426.487 2.392 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nnc(CC)s1 1760170701 NFYZNSCRXLNPEH-UHFFFAOYSA-N 434.529 2.207 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760182959 LBVZTCWJJUWNQE-PMACEKPBSA-N 441.557 2.259 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189572 PYZAYNONLVCTBS-DYESRHJHSA-N 433.578 2.087 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189574 PYZAYNONLVCTBS-UTKZUKDTSA-N 433.578 2.087 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)(C)C 1760203609 KEKAZVDZZRXVQG-GOSISDBHSA-N 445.564 2.474 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760204074 BREMVPQSWDMVNH-UHFFFAOYSA-N 444.486 2.497 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2CN(C)C(C)C)CC1 1760258653 ATCRSSMBNNRYFQ-QHCPKHFHSA-N 436.604 2.426 30 10 IEEE C=C(C)Cn1c(N(C)Cc2ncnn2CC(F)F)nnc1[C@@]1(OC(C)C)CCOC1 1760349781 ZRSJXMOQXRAXHU-LJQANCHMSA-N 425.484 2.388 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760443662 XKPXNLMVMJDDQQ-UHFFFAOYSA-N 431.562 2.407 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)NC 1760480581 YUTDVDYLPDYSIR-UHFFFAOYSA-N 430.578 2.480 30 10 IEEE C=CCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760514134 SRFPUHFSOZTHLB-KSZLIROESA-N 443.552 2.337 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(Cc3nc(COC)no3)CC2)cc1 1760530921 XEEZGPDDRYNXPN-UHFFFAOYSA-N 439.520 2.051 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1761134346 CLDGMJGILCPEGQ-QTEQDKRBSA-N 448.612 2.271 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)COC)C2)CC1 1765542929 DSWPDBFUVOVWHE-SIKLNZKXSA-N 437.592 2.315 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(Cl)c(OC)c2)CCOC1 1765924649 WZAYIQSZBAPZSF-KKSFZXQISA-N 447.923 2.369 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1768139239 COLVJWGCDCQURT-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)[C@H]1CCS(=O)(=O)C1 1851256610 ACDKOKSSLSMYMI-ZDUSSCGKSA-N 426.420 2.278 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCN(Cc4cnnn4-c4ccccc4F)CC3)cnc21 1851263868 DRBVEWFDKKQVAY-UHFFFAOYSA-N 444.474 2.123 30 10 IEEE CS(=O)(=O)N1CCC[C@@H](OC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852456896 XDXVFDCAPJBHFC-OAHLLOKOSA-N 442.419 2.344 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCN(c4nccn4-c4ccccc4)CC3)cnc2c1C#N 1852890935 CBSURBIEXBIDII-UHFFFAOYSA-N 426.484 2.366 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)CCc3ccc(C#N)cc3)CC2)cc1 1853159487 NOZZWIQQXRAHOY-UHFFFAOYSA-N 441.553 2.349 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C1=O 1857146524 ORUYCXRGNVKAGL-QGZVFWFLSA-N 445.310 2.217 30 10 IEEE C#CCCCC(=O)N1CCn2cc(C(=O)NCc3cnn(C)c3)nc2[C@H]1c1ccccc1 1857657672 PSHAWNNVTBXJHS-JOCHJYFZSA-N 430.512 2.282 30 10 IEEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)N=c2[nH]nc([C@H]3CCCO3)s2)CC1 1860629183 WKJMEIUBXFPWKK-RTBURBONSA-N 444.557 2.499 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCOCC2)=C(N)Oc2c1c(CCC)nn2C 1865223833 FZGAZWBRBFRNGN-LJQANCHMSA-N 438.528 2.491 30 10 IEEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872597574 WRXVHXMKANAWIT-KRWDZBQOSA-N 428.470 2.268 30 10 IEEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 1874280088 JZYQVRZURLRYAO-HJGVYBFFSA-N 447.561 2.376 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874354016 MZZFKWCWSWSSFE-ZVBGSRNCSA-N 442.457 2.068 30 10 IEEE Cc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874387943 MGZZZTDLKVEHNK-UFFVCSGVSA-N 426.458 2.251 30 10 IEEE Cc1nc2ccccn2c1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889403743 GISSPEZJPNTTBV-UHFFFAOYSA-N 437.588 2.293 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)NCc3ccc(OC)cc3)CC2)CC1 1890336125 XVHHZOQRDRFUHO-UHFFFAOYSA-N 428.577 2.027 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)CC1 1891416492 YHHYYSUPVAYFLY-UHFFFAOYSA-N 428.514 2.220 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccnc(OC)c4)C(=O)C3)n[nH]2)c1C 1891434620 IAACPRGZIXEQCR-UHFFFAOYSA-N 449.515 2.359 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 1902433978 TXKUMCZISGMEHL-RBUKOAKNSA-N 437.558 2.428 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)C1 2020881003 HZXQPNHDSSHDJV-UHFFFAOYSA-N 439.553 2.478 30 10 IEEE C[C@@H](OC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(C(N)=O)cc1 2040424915 KRICYFSQNDVKPH-GFCCVEGCSA-N 441.406 2.013 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)[C@H](F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622763 DKLXJYOBCJSUPZ-JSGCOSHPSA-N 438.309 2.213 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(CC#N)CC2)CCN(Cc2ccccc2)CC1 2060821477 WFJWBHYZRREODT-UHFFFAOYSA-N 441.576 2.214 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@@H](O)C#Cc1ccccc1Br 2227478825 AIYHKFXPYQTITL-HOTGVXAUSA-N 446.363 2.490 30 10 IEEE C[C@@H](NC(=O)CONC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2243673862 BLQXAHBIHIHAAD-LLVKDONJSA-N 427.332 2.076 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247919377 QOZMASWFGNKZPM-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627906 ACCDRKFIAZKUFO-CYBMUJFWSA-N 434.346 2.036 30 10 IEEE CC1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255696535 VKJRPEVRNIFHTF-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255705646 YDSWOXAVTWZSFW-RYUDHWBXSA-N 444.284 2.425 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255873279 CRVUZJSCDFKIOW-ZBFHGGJFSA-N 433.358 2.450 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256619265 XMDVBUVSTLTXDH-ZSEKCTLFSA-N 449.382 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256889998 DOXCAQYZSYWMAT-CVEARBPZSA-N 437.321 2.302 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267128427 QPZDPYQXULQKJE-HXUWFJFHSA-N 438.381 2.360 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2267225235 GEPLKRUOPLYKHH-QGZVFWFLSA-N 448.369 2.252 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267270074 JHHZDMHILSJHIV-UHFFFAOYSA-N 441.337 2.081 30 10 IEEE CCN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267502697 RRPVFVZEAQEJQG-IBGZPJMESA-N 438.381 2.456 30 10 IEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268635579 STTOSIIBTXANIK-DAYGRLMNSA-N 448.369 2.437 30 10 IEEE COC1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2268686519 FMXMHSOVKSLIBR-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2278736510 AYEQBJYMHMNIJB-GJYPPUQNSA-N 425.323 2.043 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@](O)(CNC(=O)OC(C)(C)C)COC 2278738446 WBYRYZOZBQLINJ-QFBILLFUSA-N 427.339 2.291 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3OCC[C@@H]3F)cc2Cl)OC1(C)C 2282312875 CMXFEECHCRCEIS-WDEREUQCSA-N 425.740 2.106 30 10 IEEE Cc1sc(C)c(S(=O)(=O)N2CCCC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282874745 FPINCXMIJMOESU-UHFFFAOYSA-N 443.396 2.192 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300301848 YQXUFKZVGFLEBB-UBHSHLNASA-N 435.355 2.180 30 10 IEEE COc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c(OC)c1 2327906636 CIFXMCXNDCOKAL-HNNXBMFYSA-N 447.561 2.376 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccn1C 2330725133 SNYCAPOKVWJQPR-UHFFFAOYSA-N 439.545 2.483 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)n1C 2337191215 WQEOBDILZMGXAL-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337205075 UJWIUXOIGGEMIR-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2352398840 YFFMUQXMIUSXOS-HNNXBMFYSA-N 446.357 2.294 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 24656156 SJXKXRVWMZRDIK-UHFFFAOYSA-N 432.542 2.393 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1Cl 502034320 UBLXVJKSCCUMMR-ZWKOTPCHSA-N 444.944 2.089 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1Cl 515730514 RVYOSVGWURNTPR-UHFFFAOYSA-N 436.896 2.296 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C1CC1 516373251 LVVRSYBZVTZOTM-UHFFFAOYSA-N 437.565 2.453 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 518235429 XQLZQJDJZYHMCU-UHFFFAOYSA-N 446.573 2.180 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1C[C@H]1CCCO1 521498456 VZGUUDYFXZFTML-LJQANCHMSA-N 439.581 2.125 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)c1 523297339 ODDZXEKTOMDXDH-QGZVFWFLSA-N 429.542 2.416 30 10 IEEE CCOC(=O)c1c(NC(=O)c2nn(CC)c3ccccc3c2=O)c(C#N)cn1CCOC 540734975 IBYJGWBANVGXPM-UHFFFAOYSA-N 437.456 2.165 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1=O 543085361 TYOWANUNGPPDPP-LJQANCHMSA-N 430.468 2.400 30 10 IEEE C[C@H]1CN(Cc2cccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)CCO1 546883304 ITDDKCSJDPADIC-IBGZPJMESA-N 434.544 2.206 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccc(I)c(O)c3)CC2)n1 546904523 VQGFFQRECUPJSB-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 556083264 QURRKWHXXFFJRU-UHFFFAOYSA-N 448.548 2.004 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 588152507 WTJSZJCWDGMDKT-YJBOKZPZSA-N 426.538 2.216 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 604030593 QLLGJKVIDVLWQH-UHFFFAOYSA-N 437.518 2.002 30 10 IEEE N#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c(F)c1 609231281 PSEHFRVDSWWMQQ-UHFFFAOYSA-N 440.294 2.445 30 10 IEEE C[C@H]1CCCN(c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2[N+](=O)[O-])C1 732157188 XPYIIRVDAMZQMB-MPHHAOFMSA-N 427.461 2.087 30 10 IEEE C[C@]1(c2ccc(Br)cc2)CC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732673124 VSNUEVCJSAHNAI-FXAWDEMLSA-N 431.334 2.095 30 10 IEEE CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 732706678 MIGIGNATBRPOLN-MRXNPFEDSA-N 445.951 2.396 30 10 IEEE COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746878663 YLQRXUQETLRXBV-UHFFFAOYSA-N 449.916 2.171 30 10 IEEE Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)c1 748064608 WCJKKECTHJCZJD-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1Cl 749935538 PXKYWVVZRRYZIU-LBPRGKRZSA-N 443.909 2.260 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C1CCCC1 757180196 VXOOUPQSTJNPJQ-SFHVURJKSA-N 445.585 2.474 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(CC)c2)C1 760305002 PCSAZBXMNWDXEX-IAGOWNOFSA-N 431.562 2.120 30 10 IEEE C[C@@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)NCC(F)(F)F 768045260 JDODBAXIEXZBHM-RXMQYKEDSA-N 427.248 2.056 30 10 IEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)C1=O 770685810 MDMLEXWKJKGLGL-HYBUGGRVSA-N 449.555 2.397 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 771492380 LRLOGIUOACNVHA-INIZCTEOSA-N 444.447 2.388 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)c3cccc(F)c3)sc(=Cc3ccoc3)c2=O)cn1 772318933 WTPMTDAEHOOEJL-UHFFFAOYSA-N 447.447 2.421 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 779350245 ABLKVLKBTHLDLG-NUMWXTGKSA-N 438.315 2.398 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc([C@H]4CCCOC4)cc3)CC2)o1 780270460 KMCOYGPQGMOCEM-IBGZPJMESA-N 438.484 2.254 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC[C@@H]2CCOC2)C1=O 784117476 GDDKUIPFLDSSAG-QAPCUYQASA-N 436.553 2.252 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)CCN1C1CC1 792983630 FETGVUNPAFIEHT-HNNXBMFYSA-N 435.500 2.001 30 10 IEEE CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807247632 DCXADYSZNRCSIG-UHFFFAOYSA-N 433.555 2.185 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C(F)(F)F 810675154 MOSHJOPTHSDYCA-NSHDSACASA-N 427.445 2.362 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)c1ccc(F)cc1 812526458 LJCDASRFNSCZMB-AWEZNQCLSA-N 448.444 2.451 30 10 IEEE C#CCONC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCCC 812785671 CPWGWYBIRKBZSA-UHFFFAOYSA-N 432.546 2.235 30 10 IEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2nccs2)n1N 1084044343 UGGOKYUMRIWOIW-UHFFFAOYSA-N 434.555 2.019 30 10 IEEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)CC1 1084257334 IVQIKYGMLGZTRX-UHFFFAOYSA-N 428.349 2.424 30 10 IEEE COC(=O)CCNC(=O)CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1132230700 RAVCPVVAMAMXHY-UHFFFAOYSA-N 434.924 2.004 30 10 IEEE Cc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)c(I)cc1Cl 1137371072 GCTDTHSUIKAUSM-UHFFFAOYSA-N 431.661 2.451 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2=O)cc1Cl 1142371242 OYCWEBZQAYOPDE-JKSUJKDBSA-N 442.878 2.164 30 10 IEEE COC(=O)Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]c2ccccc12 1153866477 OKUMGGYJKINMPN-SUMWQHHRSA-N 426.473 2.372 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1156246910 CRUCSDWXAACTFS-QGZVFWFLSA-N 433.516 2.181 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3COC)cc2C1=O 1158993232 JFUSWHRLCBYKAK-INIZCTEOSA-N 443.500 2.177 30 10 IEEE CN1CCCC[C@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1=O 1196727888 NRUBKUWKRYPWSW-UTKZUKDTSA-N 441.576 2.299 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 1265896996 ABKOJRZYWAKNFC-INIZCTEOSA-N 432.502 2.130 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1-c1ccccc1 1286304202 VEKXFNAJWOCOCC-MRXNPFEDSA-N 446.540 2.357 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286350430 CTKNAZVOMDEYEC-LJQANCHMSA-N 440.567 2.458 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286386864 ITGBISBWUQEWEE-CVEARBPZSA-N 437.516 2.346 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286393886 LFBNABNCIAFRKV-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CN(C)C1=O 1286403458 KFDCBAMWULVIID-FQEVSTJZSA-N 444.308 2.398 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286503853 JYFJULXGWBZHGD-UYAOXDASSA-N 428.606 2.197 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286676114 WHXRNKONSIEYRX-QHCPKHFHSA-N 441.580 2.488 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286710739 CDVURDHAUDJIII-UHFFFAOYSA-N 440.552 2.198 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1cccc(F)c1 1286791256 WQELIFCDLNETPS-SFHVURJKSA-N 426.496 2.183 30 10 IEEE CC(C)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1287196306 IYWIZNCKZVKRIO-VZCXRCSSSA-N 438.536 2.045 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1288517577 DOTXWMIPAWXMKZ-CEXWTWQISA-N 431.585 2.201 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC2)cc1C 1289742919 HPEXTLDEOPVFHF-FQEVSTJZSA-N 437.548 2.362 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298484179 VYPGMBXJSNBVAY-CZIZESTLSA-N 425.468 2.051 30 10 IEEE C[C@@H](CC(=O)N(C)CCOCc1ccc(C#N)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1298756886 SSVWCMJPBFKPKL-INIZCTEOSA-N 440.525 2.051 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCc2nccnc2C)n1 1300676842 UNXLDNUJLWRZGT-UHFFFAOYSA-N 436.564 2.399 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1300696006 QZPDTKUUCHAQLT-NHCUHLMSSA-N 436.608 2.248 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1(C)C 1300807942 IDLNXALHEUKKKP-KRWDZBQOSA-N 429.546 2.255 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)NC)CC1 1301135178 UQCDURAOTCOMMD-UHFFFAOYSA-N 433.578 2.426 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1COC(C)(C)OC1 1301449886 FQDAVKLBDKCIPF-UHFFFAOYSA-N 434.566 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1301485029 QCLFLITWXCDBNS-FQEVSTJZSA-N 438.576 2.066 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1301499010 VZMRFSYJXLXATQ-GOSISDBHSA-N 444.511 2.404 30 10 IEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1 1301601652 SLFDKUMNSPKXMA-UHFFFAOYSA-N 436.603 2.477 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301610347 WQZMGEZSNYGPAM-MRXNPFEDSA-N 446.537 2.095 30 10 IEEE Cc1cc(CN(C[C@H](O)COc2ccccc2C#N)C2CC2)cc(S(N)(=O)=O)c1C 1307893538 ABLDWDIDMAVEBF-FQEVSTJZSA-N 429.542 2.227 30 10 IEEE CCS(=O)(=O)NCCn1c(N(C)C[C@H](C)C#N)nnc1C1(c2ccccc2)CCC1 1314564127 UWUKZQXCJDSMBQ-QGZVFWFLSA-N 430.578 2.283 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1358910840 CVYDEXYISQFBHZ-LJQANCHMSA-N 437.504 2.268 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1358959950 STNAWFFFIBBEBA-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H](C)C1 1358988973 KLCGAOUQFHVJEX-MOPGFXCFSA-N 430.516 2.199 30 10 IEEE C=CCCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1359220591 CZHQIAIQLCWUMH-JOCHJYFZSA-N 427.553 2.321 30 10 IEEE C=CCCOCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1359229736 SFCVLASZRSVJJS-ZFWWWQNUSA-N 442.492 2.293 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1359235578 FQDYBZYUGIUHKW-LJQANCHMSA-N 436.354 2.405 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1359265565 ICGLPRKWANFRMD-PMACEKPBSA-N 427.597 2.410 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C)n(C)c1=O 1359282707 MRMGAFJGAPEKSC-UHFFFAOYSA-N 447.543 2.211 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1360474511 PLWPAXGURFUUIT-CYBMUJFWSA-N 441.517 2.236 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1455939000 ADZJZGGMKDKIKK-FQEVSTJZSA-N 440.544 2.292 30 10 IEEE N#CCCN1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 1471237150 IGTDLKQLRBWEQN-VKAVYKQESA-N 432.546 2.475 30 10 IEEE CC(C)n1cnc2ccc(CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc21 1471662116 OUAGRQXIKHIVRI-HNNXBMFYSA-N 425.514 2.472 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1471972809 OIMNARPGOUPXHO-UHFFFAOYSA-N 443.525 2.135 30 10 IEEE CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1473885251 HZJBIDBOASIYGJ-FQEVSTJZSA-N 435.613 2.400 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1503551814 GHJXVRAXTJYTMQ-QZTJIDSGSA-N 429.546 2.114 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)C)CC1 1504936901 XUPSRPZTNBXHBK-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(O)CCOCC1 1504941202 IGFCQHCGEPWSSG-KRWDZBQOSA-N 429.521 2.052 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2=CCCCC2)CC1 1507737012 WOWKFIUTLLJIAB-DEOSSOPVSA-N 441.576 2.396 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\c2ccccc2)CC1 1507884096 DRRJYADIAUKMEP-NSDNCLLMSA-N 443.573 2.481 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507914000 DJCQWCPLDRQXCM-LJQANCHMSA-N 440.596 2.277 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1507959380 PIHGLBGHSRGLJD-ROUUACIJSA-N 432.546 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1508080011 HGFQSYRCFHLMMC-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)OC)CC1 1508089444 BMQQQMRIQAAUDM-UHFFFAOYSA-N 441.532 2.166 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)OC)C1 1508154578 BOVRTCWVMRPRAP-CQSZACIVSA-N 433.534 2.314 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1508162783 SIRFQMWBACNYBF-UHFFFAOYSA-N 441.609 2.399 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1510852988 HFKCPYGNOFXVFO-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE CC/C=C\Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514208478 GVCWILXALOYQKY-FPLPWBNLSA-N 448.579 2.346 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)c1 1518037064 VSQLJBJNUUJGCM-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1519260094 HIPMVTJLOWFCQM-LJQANCHMSA-N 447.628 2.158 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)OCc1ccccc1S(=O)(=O)N1CCOCC1 1524464042 QLVUCNCUBJGKMV-UHFFFAOYSA-N 428.510 2.482 30 10 IEEE N#CCNC(=O)CNC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 1531942501 BHDJBLHEEKPIHG-UHFFFAOYSA-N 430.127 2.195 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1539028988 FSNQBKVKJXUEEJ-IBGZPJMESA-N 436.560 2.422 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)cc1 1539273090 KCNZZHCVOFMPIE-UHFFFAOYSA-N 443.555 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1539315870 XLYXMLGYABKEBI-NRFANRHFSA-N 433.604 2.385 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2nccn2C(F)F)CC1 1539459917 SDMFQDYOFDCKJU-UHFFFAOYSA-N 441.486 2.295 30 10 IEEE C=CCCOCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540042111 LDQKOAXDEGHIFB-KSZLIROESA-N 446.552 2.370 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CCS(C)(=O)=O)cc1 1540877762 FDLLKNIHSIVJHY-SFHVURJKSA-N 434.562 2.266 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccco1 1541676701 CLEPCDGYTOPYJB-UHFFFAOYSA-N 433.516 2.251 30 10 IEEE C[C@]1(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CC2)NC(=O)NC1=O 1542013667 JIUFOBYEMVVYQE-LJQANCHMSA-N 447.421 2.194 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1555385490 FZVQQCCNOOYXDA-FQEVSTJZSA-N 433.516 2.178 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CCOCC(F)F)cc1 1555988727 MWQFFEKGTGCQFF-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE Cc1ccc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)cc1S(=O)(=O)NCC#N 1557093438 LTBNVHUFEXDNCY-NVXWUHKLSA-N 435.546 2.379 30 10 IEEE N#Cc1cn(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)nc1O 1557599906 GKCDTXVKTHEOTG-UHFFFAOYSA-N 426.436 2.103 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)CC1 1560107734 AOAOXBNHQJPYAX-WOJBJXKFSA-N 435.613 2.400 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1561910301 DYSOSDHZVWVPRI-UHFFFAOYSA-N 436.456 2.050 30 10 IEEE CCN(C[C@H]1COc2ccccc2O1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1584975848 FGFWTJVDVVWEMV-INIZCTEOSA-N 443.525 2.194 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588030422 UUHRRVCKOPGUKG-RTBURBONSA-N 435.638 2.467 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1COc2ccccc2O1 1588173638 GOXXIIQZRISDEI-IBGZPJMESA-N 435.528 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1588186585 ZCUYAQZOKGAUQN-VWLOTQADSA-N 449.555 2.123 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)n1 1588724180 UYQRQISUUQQVII-FQEVSTJZSA-N 447.543 2.122 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1588954979 NOSTUNDERJTVIO-UHFFFAOYSA-N 449.540 2.113 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 1588984653 INYFGUULWBUJNA-AWEZNQCLSA-N 425.555 2.030 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1589198136 PIUBRHNAARRVAW-GAJHUEQPSA-N 433.491 2.211 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1589304193 CZEABMFGVUIKOR-UHFFFAOYSA-N 440.367 2.147 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1589721988 KOJUILONYUYPQS-QFIPXVFZSA-N 427.505 2.406 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1)c1ccccc1 1594534639 NCNJQGVELPNXFD-IEBWSBKVSA-N 433.578 2.475 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1594720982 ZHENQIBNWKOSFI-UHFFFAOYSA-N 449.559 2.463 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595806012 ZIFKHPSZUSUSFM-MRXNPFEDSA-N 441.598 2.181 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(Cl)nc1 1611696281 FFMAJFNQEAGALK-UGSOOPFHSA-N 437.957 2.115 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nnc(C)s2)c1 1611927668 DMKJSHZEGBQNOT-KRWDZBQOSA-N 425.518 2.411 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)cc1 1612145317 VCMSDCRPYBQTFW-PZJWPPBQSA-N 441.532 2.338 30 10 IEEE CCc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613954320 WMZGGOLFSRZTLC-DQRAZIAOSA-N 434.500 2.366 30 10 IEEE CO[C@@H]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619483218 FOXMBXDXEUXXMB-IEBWSBKVSA-N 426.569 2.457 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1=O 1624817347 QMXDILCNZRSTIX-UXHICEINSA-N 440.544 2.366 30 10 IEEE C#C[C@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(Cl)c1 1625160604 KQTPDNBJVPVMTQ-MRXNPFEDSA-N 436.917 2.044 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 1626317378 ITUHSCKWFKJBJE-HNNXBMFYSA-N 448.451 2.298 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(S(C)(=O)=O)CCCC2)n1 1626529974 AOOTYTZGYYEPQC-UHFFFAOYSA-N 427.577 2.096 30 10 IEEE Cc1nc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)ccc1C#N 1627179134 CBYDKDAIOUMSJB-INIZCTEOSA-N 446.248 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H](S(C)(=O)=O)C1 1633870407 PIDCQHJZEHMSTM-WMZOPIPTSA-N 433.530 2.038 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)CCO2)cc1 1636289528 SNRHQFVOYVCQOR-JOCHJYFZSA-N 448.504 2.390 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 1638268853 DJNHFSWZNZKYFF-NSHDSACASA-N 428.392 2.200 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 1640395326 SMVGSUBSHVRLMB-MRXNPFEDSA-N 435.452 2.434 30 10 IEEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1648402802 GMVOZGJHNXYKTL-ZNZDAUKMSA-N 427.482 2.140 30 10 IEEE C=CC1(CC(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)CN(C(=O)OC(C)(C)C)C1 1653499407 AVWAIHVOXUIEKU-CYBMUJFWSA-N 437.928 2.344 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)[C@@H](C)CCC)nnc12 1654703679 QWKFZAHXOOGYNW-HOCLYGCPSA-N 429.546 2.236 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@@H](c2ccnn2C)C(C)C)c(C#N)cn1CCOC 1668605428 BVAOYMFRGBVNQN-MRXNPFEDSA-N 430.509 2.478 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1673502713 HOONEMMQMBIQHP-FQEVSTJZSA-N 428.514 2.140 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)c1 1674055739 SYMYDUIZXCZAIW-UHFFFAOYSA-N 429.528 2.321 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)[C@H](C)c3cccc(C#N)c3)C2)cc1 1686398179 CMCRHWJAMYPMMU-OAHLLOKOSA-N 428.514 2.342 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1)C1CCOCC1 1687124095 QXVRSWMNRISVMO-WIYYLYMNSA-N 433.574 2.123 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1ccc(OC)cc1 1689826475 OJMFQVOKVZDNJY-ULQDDVLXSA-N 433.578 2.234 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1689888376 HRBBPEZYBAXUCX-GOSISDBHSA-N 437.610 2.274 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1689976697 UWTPRJJUMXOTFR-UHFFFAOYSA-N 427.983 2.233 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC=CCC2)CC1 1690137873 KTAGESVEPPFJAH-CYFREDJKSA-N 441.576 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC(C)C)N(C)C)CC1 1690146457 OBHXWNJWKZCQQV-LEWJYISDSA-N 444.624 2.462 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1690528208 YCBWDEKLVOBRQR-NVXWUHKLSA-N 439.607 2.174 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690660686 MPPASIAONVFKNV-LSDHHAIUSA-N 446.939 2.041 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OCC)CC1 1690663045 KIXJGTCMQNZDHP-UHFFFAOYSA-N 438.488 2.272 30 10 IEEE CC(C)c1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691835687 TXZODSZLEZEMDV-RWNPKEDZSA-N 428.537 2.323 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nncn1C 1696848919 LHRUXSYAZWEKTD-SFHVURJKSA-N 444.341 2.353 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCn1ccnc1C 1698048997 FKUUVAWUTWNWAP-UHFFFAOYSA-N 443.515 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1705478234 YHIZGXRDKXILEJ-SZMVWBNQSA-N 438.532 2.481 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1CCCO 1705485849 QMZWRFJDBGQCOD-QZTJIDSGSA-N 427.549 2.267 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(C)nc(N2CCCC2)c1 1705540805 NPWPPEQFMXWNTN-UHFFFAOYSA-N 430.516 2.347 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2sc(C)nc2C)CC1 1705634578 CDUWZNKTDXJAJK-QGZVFWFLSA-N 432.594 2.073 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705665134 KRXBHQDTDWLOGI-VXIBKDFQSA-N 431.606 2.278 30 10 IEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705892127 CDAANSUFIIJLKK-HNNXBMFYSA-N 447.337 2.362 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1706236256 CWDXKUVYLXOZEB-UHFFFAOYSA-N 447.499 2.450 30 10 IEEE CCCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCN(C)C2)cc1OC 1709851811 CJSOZALAJMGURO-GAJHUEQPSA-N 442.564 2.405 30 10 IEEE CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1711416767 CBVJDMUVGRJDOU-IBGZPJMESA-N 430.578 2.281 30 10 IEEE COc1ccccc1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1711989620 UTFMHGQJFHXNCU-CVDCTZTESA-N 441.532 2.299 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1722305148 DOWPCAJPBNVVJI-OAGGEKHMSA-N 428.541 2.166 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1722360419 HEVVAZKDHAXJKC-RTBURBONSA-N 444.605 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(Cl)nc1 1722446256 CBOMPAKWGNMFIL-UHFFFAOYSA-N 428.880 2.189 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN(C)C(C)C)CC1 1722449143 NMWYWTYQWCWENG-UHFFFAOYSA-N 440.567 2.314 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1722500772 LAJTZLYKXXDLMK-MRXNPFEDSA-N 440.614 2.082 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722534026 GIZCPTDUWWQZDL-UHFFFAOYSA-N 436.516 2.412 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722535559 KEILRBZKOWBIFW-SFHVURJKSA-N 427.549 2.332 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OCC)CCOC1 1722622422 JKJBJSDREXUVNM-JOCHJYFZSA-N 429.521 2.452 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722624968 IJZMHOLGBBXMEY-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1723866518 MOIZRMBHWOTKJL-OXJNMPFZSA-N 427.528 2.417 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1728201205 AXCJMOTZOYNNFL-UHFFFAOYSA-N 438.532 2.465 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1728760846 HVGZOGYEJJZNFS-QVKFZJNVSA-N 430.484 2.304 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCn1c(O)nc2ccccc21 1730824286 IWKQBAVGKLRURE-INIZCTEOSA-N 439.520 2.498 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)OC 1730876814 VDVVEBWBHKTLIC-MBOZVWFJSA-N 429.521 2.487 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1740580083 XHSLCVQFTVEOGL-HKUYNNGSSA-N 443.527 2.061 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740627144 YPJPIBHADHNFJM-GOSISDBHSA-N 427.555 2.000 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C(N)=O)nc1 1740727947 GLKKXZHTTSZJJX-XMMPIXPASA-N 446.511 2.497 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740889035 UQVVITBXYZLQSW-SFHVURJKSA-N 429.496 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740986235 UBVYLEJFHCKNIB-OAHLLOKOSA-N 425.580 2.345 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740994827 UPTOONVLMUUQRR-OAHLLOKOSA-N 436.500 2.379 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1746685493 UAJVXZPBZJUGMF-DNVCBOLYSA-N 425.480 2.484 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCOC1 1747659953 GWWXHZRXNRLBLN-LJQANCHMSA-N 440.548 2.065 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1748702724 BSKBMKFPMOQPQL-UHFFFAOYSA-N 443.573 2.257 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748731183 WNANLYCTELIDNR-ZJSXRUAMSA-N 445.608 2.281 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1748740937 VTHYHVDIRPGMTD-SFHVURJKSA-N 442.541 2.002 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1748906771 YJGRJSPJUYENOL-IAGOWNOFSA-N 448.568 2.013 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)c1cc[nH]n1 1748912883 KFAZEKMEZKDBCI-UHFFFAOYSA-N 428.500 2.414 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1C(F)(F)C12CCC2 1748948314 LVUSAWFKMGNXKV-OAHLLOKOSA-N 430.459 2.447 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1c1cnn(C)c1 1748960954 SEOVTQCVLYROMM-LJQANCHMSA-N 434.548 2.137 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1748992610 AZIGFDLZZNZBDT-UHFFFAOYSA-N 447.518 2.165 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2snnc2C)CC1 1748999159 KSWRIQLJXJURBB-UHFFFAOYSA-N 437.573 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCn2ccnc2C)CC1 1749017276 ZOQXZJYLHIENBG-UHFFFAOYSA-N 449.534 2.179 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNC(=O)C(C)C 1749026726 OWVADWNRXIZFRS-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1749056304 XOBVBIYXUZLKKZ-FGZHOGPDSA-N 427.553 2.072 30 10 IEEE C=CCCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749390527 FYQZSRALRVVUMC-UHFFFAOYSA-N 435.598 2.311 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1)C1CC1 1749506698 RZHWPLHKHYNGDP-UHFFFAOYSA-N 443.573 2.284 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCC2(F)F)C1 1749697593 LGUPMSDQMXFEJV-HRCADAONSA-N 447.552 2.495 30 10 IEEE COCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749728155 AQXYXIPZPUAUAK-UHFFFAOYSA-N 448.575 2.370 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1750068875 DSILEHJTOAVINA-UZLBHIALSA-N 448.531 2.440 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1750079487 QJQRABUFUXGDLU-AWEZNQCLSA-N 442.911 2.317 30 10 IEEE CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750312294 QAJKUSDZDGMTQQ-UHFFFAOYSA-N 429.550 2.094 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1750473151 SVKAHUQATZWIJT-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1752305303 TYVJNCWTCLCRGL-ITZAQCPESA-N 442.907 2.350 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760182667 IAQQPLJMRKPLPH-LJQANCHMSA-N 445.589 2.205 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1760187980 MLZPDBKWSNXWKA-HNNXBMFYSA-N 427.368 2.471 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CC 1760232037 QNXLZLRAEDAKBL-QGZVFWFLSA-N 429.594 2.182 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1760287750 FAOSHELDOYNZDS-HSZRJFAPSA-N 444.499 2.456 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760359440 NTGDXLJLRHAMFS-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760379025 FWGONVUEGZTESA-HNNXBMFYSA-N 435.985 2.493 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1760397039 WVUUNDCYVQEVDN-HXUWFJFHSA-N 443.640 2.190 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1760450342 JEHJHOMCCYYFAR-IAGOWNOFSA-N 428.624 2.495 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1763271636 WUUTVGXWFZDSLX-WAIKUNEKSA-N 441.532 2.192 30 10 IEEE CC[C@H](C)c1nnc(N(CC)Cc2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1763538380 XZDHZAQKUOGHNB-LZICOFPGSA-N 426.525 2.078 30 10 IEEE CC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765122419 DSRUXVPXSXMGGJ-NFFVOIMASA-N 435.532 2.417 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1766580171 ZBGSLPWHJQUQCP-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC(C)(C#N)CC1 1768433600 UOBLVYDPRMMZHD-RTBURBONSA-N 443.596 2.202 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1769842345 RBABFNHOISWPGU-QHCPKHFHSA-N 433.516 2.194 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1771207153 GWCXFBGJXIORKQ-JROKQLJMSA-N 446.552 2.155 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)N(C)C 1771216223 BKLZNSAYUAYDMM-RBUKOAKNSA-N 441.580 2.150 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COC(C)(C)[C@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772793356 NEDMOLUODOGJFD-WHEQGISXSA-N 430.457 2.403 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)c(I)c1 1852098353 FZWAZBHRAFLAHZ-GFCCVEGCSA-N 439.253 2.129 30 10 IEEE Cc1cccn2c(=O)cc(CO[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc12 1852820345 CXYSBSJSOBXFBN-QFIPXVFZSA-N 434.496 2.171 30 10 IEEE CCOC(=O)N1CCN([C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860617029 YIVRZSJGTWKCBM-OAQYLSRUSA-N 431.533 2.036 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CC)nn2CCC 1865225281 NPSFGGZVDZJQNK-LJQANCHMSA-N 438.528 2.318 30 10 IEEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870348077 IAQPDNVQXHMHNA-UHFFFAOYSA-N 430.512 2.431 30 10 IEEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870526737 YTYCFAYZSBGLTG-LJQANCHMSA-N 439.560 2.045 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(N(C)C)cc2)cc1=O 1871009103 DAUFGLDWGMJDBX-UHFFFAOYSA-N 440.525 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCOc2cc(Br)cnc2C#N)C(=O)C1 1903419528 IHSKLDGOLFKNSU-UHFFFAOYSA-N 425.283 2.174 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1993678571 PSPOYXUFGFBNAE-PMPSAXMXSA-N 427.542 2.332 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2010405524 ZHJTVLBTUBRMPQ-LXTVHRRPSA-N 426.319 2.008 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010512530 BBNMPOJHSUQXFR-XUVXKRRUSA-N 428.533 2.153 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212225397 FHGATFHGUPFILJ-LRAJWGHMSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224077949 BOCQAYFRSXKOCY-DZOHQFGASA-N 431.342 2.473 30 10 IEEE Cn1nc(C(=O)N2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247840606 PTNMSKQKMWNWHK-UHFFFAOYSA-N 440.737 2.371 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406814 CEIJYFJCIAMPHY-UHFFFAOYSA-N 440.375 2.233 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2255619981 UVRHSECFXVTBAA-JZAWBGDQSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626478 GOTYUMHRENGMPP-UONOGXRCSA-N 434.346 2.132 30 10 IEEE CC1(C)OB(C2(C(=O)NC3(C(N)=O)CCN(Cc4ccccc4)CC3)CC2)OC1(C)C 2255653876 PDDCQNSTYOIXQU-UHFFFAOYSA-N 427.354 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2256618082 ODRQBDAUKTWIPK-NRFANRHFSA-N 433.314 2.003 30 10 IEEE Cc1cc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)oc1B1OC(C)(C)C(C)(C)O1 2258237850 OJBQCFSGQYBIBY-UHFFFAOYSA-N 430.232 2.170 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2259354267 AVUZXYUTALRXKR-YOEHRIQHSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)[C@H]2C1 2266064627 CVWSNIOVMROHKC-HOTGVXAUSA-N 449.332 2.344 30 10 IEEE Cn1cc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267137522 NVOMSXLPBRAEFR-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC1(NC(=O)OC(C)(C)C)CC1 2267151370 HLMNSQFKACSCRQ-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2267184485 VJQBMHYTLKJHCP-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](F)C1 2267270110 JLKHZCLWEHAPNG-CABCVRRESA-N 449.332 2.458 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267477063 GYFNHTBFFBYCHF-CHWSQXEVSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269008247 UGFBTJGWJKEEJM-DLBZAZTESA-N 449.332 2.344 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CSCCSC2)OC1(C)C 2282499996 HESYTMBZFMDYGY-UHFFFAOYSA-N 435.467 2.315 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)n1 2315390013 JPKUDRJTLZRSOZ-IRXDYDNUSA-N 433.358 2.471 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2337283939 VIAYIAOIFMPQPE-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339262419 WSJUHRHYCHQSHJ-PKOBYXMFSA-N 443.353 2.444 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)c1O 21318758 PENPTFZFRZDTNG-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 23266069 XLULZHQUYXNZQH-XMMPIXPASA-N 440.975 2.465 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CC)CCC(=O)OCC)C2=O)cc1 96573479 FJRXWBQGVFZXEU-QHCPKHFHSA-N 445.516 2.210 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1Cl 428931909 IPLVKEKQGAQGAO-UHFFFAOYSA-N 433.921 2.042 30 10 IEEE CCO[C@@H]1C[C@](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)(C(=O)OC)C1(C)C 444562366 MIOZUTJIIQJWJI-VGSWGCGISA-N 427.505 2.013 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 444728614 GGFUZMGZGCKUDF-HDMKZQKVSA-N 430.496 2.092 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 471660627 WXJMSODNEDPYAU-UHFFFAOYSA-N 427.313 2.350 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 478737734 GINBHBWUCJEMPU-MRXNPFEDSA-N 441.509 2.035 30 10 IEEE COc1cc(CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc(OC)c1 481074073 REKLMJUXCRCJEF-UHFFFAOYSA-N 433.505 2.362 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(OC)c1 491500427 MNUOPSNUKJRHOU-QGZVFWFLSA-N 431.514 2.111 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 503895337 RWWFADVKPKODON-KRWDZBQOSA-N 447.900 2.472 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 504732301 QWRIPTRESMEPIA-UHFFFAOYSA-N 438.509 2.434 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 505139539 ODPIYLLEUDXIKJ-FUHWJXTLSA-N 441.557 2.164 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CCN1Cc1ccccc1 512673016 NZUXLPIAMBBHJV-XMMPIXPASA-N 433.556 2.438 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C#N 512721799 ZJVCSWKQRWIVOM-HNNXBMFYSA-N 431.521 2.105 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C2CC2)c1=O 542728384 ISKUGZMMDSPFSG-UHFFFAOYSA-N 438.509 2.023 30 10 IEEE COC(=O)C[C@H](C)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542959823 GSKLEXOHEANPGQ-AWEZNQCLSA-N 430.896 2.498 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 565257849 BRFREVNETCXLHJ-LBPRGKRZSA-N 428.356 2.483 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(F)c1 575106837 OCKZNSBKTDCZLH-UHFFFAOYSA-N 431.489 2.116 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O[C@@H]2CCCCO2)cc1 575398728 HTUDKBKUGBIVNY-UJWQCDCRSA-N 428.503 2.489 30 10 IEEE C[C@H]1CN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)C[C@@H](C)O1 585673934 ZMBMHWWDEXGUJZ-NTXAVMSRSA-N 448.479 2.271 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Nc3ccc(-n4cnnn4)c(OC)c3)cc21 586319182 YITSLKBZOIFSBX-CQSZACIVSA-N 434.456 2.266 30 10 IEEE N#Cc1ccc(CN2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)cc1 608857098 PZFXMODUWZTYML-UHFFFAOYSA-N 433.917 2.489 30 10 IEEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1=O 619666765 DLUQMWMWMYGFHF-PIGZYNQJSA-N 425.367 2.299 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 619851677 ZECUCWMCSZQLAM-QRQCRPRQSA-N 437.479 2.296 30 10 IEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCc2nn(CC)c(=O)cc2C1 670201653 CISFETLYTGEZBU-UHFFFAOYSA-N 444.499 2.309 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)COC)c1 676532856 AGKUETQEFQSDME-INIZCTEOSA-N 438.933 2.458 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CN2CCc3ccccc32)CC1 732162388 XTJGZSKYOYKESK-UHFFFAOYSA-N 438.553 2.026 30 10 IEEE CCOC(=O)c1cc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc2s1 732706441 JXSMGLVKUSMKTA-INIZCTEOSA-N 426.498 2.215 30 10 IEEE C#CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 742213728 NFLYQZLDNJUVSZ-GOSISDBHSA-N 434.537 2.247 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-c4ccccc4)n3C)CC2)o1 745409558 TVXXNDOPCPOOFZ-UHFFFAOYSA-N 433.468 2.366 30 10 IEEE C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 749212105 CTGXVOZMNLADPY-OFBVGVCLSA-N 433.538 2.081 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1OCc1cscn1 749550254 CZXUCBFAWQCBCF-UHFFFAOYSA-N 428.495 2.399 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)n1 788368899 AZJJAQUSALYXJE-OAQYLSRUSA-N 447.898 2.182 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1-c1ccsc1 790433192 KGTVNQFQYDBDIB-UHFFFAOYSA-N 444.541 2.314 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 794983387 QAZWPCKHHTXXIL-DENIHFKCSA-N 435.528 2.187 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccc(F)cc1 812748557 URMBRNVHVRZFAG-VQTJNVASSA-N 446.500 2.346 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1)C1CC1 814703154 ITGPRWMZWIIVRK-QZTJIDSGSA-N 436.553 2.250 30 10 IEEE Cc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1084644898 QIRIDWUAZMBWEW-UHFFFAOYSA-N 428.522 2.096 30 10 IEEE COc1ccn2c(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)cnc2c1 1125119306 GFNAEGWMSSZWKD-PTGBLXJZSA-N 427.486 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCCN1C(=O)c2ccccc2C1=O 1128812515 HJRROYIKMCIWQC-KRWDZBQOSA-N 428.489 2.376 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)s1 1142335870 NVOUUFRHYNPZTA-SFHVURJKSA-N 447.582 2.235 30 10 IEEE C=C[C@](C)(O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1151829470 WDMGNXLAIPLVGW-FQEVSTJZSA-N 425.551 2.041 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@H]3COC)nnc12 1183693614 HGKOYSCQQINUAL-HNNXBMFYSA-N 427.530 2.350 30 10 IEEE CCCCn1c(N)c(N(CCOC)C(=O)CSc2ccc(C)cc2C#N)c(O)nc1=O 1190003459 VDTKXTVIQRCKPL-UHFFFAOYSA-N 445.545 2.283 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCCN(c3ccccc3C#N)CC1)CCO2 1248651742 SFBRXWXOQAGUES-KPRXVCGWSA-N 426.517 2.281 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1253262649 MOOQXLRKBVCBCJ-INIZCTEOSA-N 437.537 2.141 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@H](C)CC 1286286418 XYTIMXIPEQRUHN-IAGOWNOFSA-N 431.610 2.426 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCSCC=C)c1 1286310363 USUPRDFSUNRLPR-SFHVURJKSA-N 438.557 2.205 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1286316605 JUOXQIQOLOWXIG-JOCHJYFZSA-N 444.557 2.148 30 10 IEEE C#CCCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286360994 XPUXLKUBADJPEJ-HSZRJFAPSA-N 429.565 2.323 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1286436897 AIDPBGMYNSNXEX-NFBKMPQASA-N 433.597 2.135 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286459556 QTYGSDAWACCHOQ-UHFFFAOYSA-N 426.521 2.293 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC2CCCC2)CC1 1286484413 KBIGKKSVFAAOSI-UHFFFAOYSA-N 425.581 2.244 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1286539941 GLIZPXVWGDMGMQ-IBGZPJMESA-N 434.338 2.488 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286615225 JEHOLGSDHCJJKW-LJQANCHMSA-N 427.553 2.456 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286706566 QAVKQAGUULAOLD-JXFKEZNVSA-N 443.614 2.122 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1286788859 ITSGLOICZNBKNC-UHFFFAOYSA-N 449.534 2.334 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NCC)c2)C1 1286808264 BCYYJAJQQNSDAC-VQTJNVASSA-N 425.533 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1CSC 1286823385 MSOCTAZBRIIRAV-KRWDZBQOSA-N 438.623 2.072 30 10 IEEE Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)c1 1290047716 SPMBNVGVGJHPQC-INIZCTEOSA-N 441.513 2.302 30 10 IEEE C=CCNC(=O)CNC(=O)c1c(I)ccc(Br)c1F 1295643931 LZPPQCDKRSJACT-UHFFFAOYSA-N 441.038 2.225 30 10 IEEE COc1ccc(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1300279404 SNBMDSYNLYGYLQ-UHFFFAOYSA-N 442.541 2.315 30 10 IEEE COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)N(C)C)c1 1300339372 GVMSOAPOXCGFEQ-SNRMKQJTSA-N 425.537 2.279 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1300458422 PGAOSNWVDORGEV-GSHUGGBRSA-N 433.553 2.002 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1300487279 IRPOQPBUYQGTHF-GOEBONIOSA-N 444.586 2.469 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300488533 DYGIHMGDZFPENE-BHYGNILZSA-N 430.530 2.170 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCN(C(=O)OC)CC1 1300538664 UCUYYPHRPCRDPU-OAQYLSRUSA-N 449.511 2.342 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1300701049 DLYZLRDCHCCUEH-UHFFFAOYSA-N 440.567 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2)CC1 1300719601 HZGDXLMZGCQJOV-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE COC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1300996753 COCHLCTULNMIHV-QVKFZJNVSA-N 449.483 2.074 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1301373577 ZANUFRXGEJLLTR-CYBMUJFWSA-N 433.563 2.120 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1302098845 QYZCJCPLNKBCJS-RDJZCZTQSA-N 443.504 2.286 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)COCCO1 1302164854 GDQDRYCSQNSIJV-QHCPKHFHSA-N 439.564 2.265 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1302320878 KPPKYTUTLSSKPR-WKRVVKTRSA-N 440.573 2.080 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCCOC(F)F)cc1 1302993802 GOCVHZXOVYXDQJ-JKSUJKDBSA-N 449.414 2.472 30 10 IEEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1303548310 JDNYJRZVHSLXGC-KRWDZBQOSA-N 446.577 2.102 30 10 IEEE CCCN1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)CC1 1307029038 HCENTPXVAJTXMZ-LJQANCHMSA-N 431.585 2.047 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1316274173 NWBNWQAVQDVDOZ-DDZPESFYSA-N 443.573 2.421 30 10 IEEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316364556 BSKDDLCBDVVVJS-QTEAWJPNSA-N 428.493 2.082 30 10 IEEE C#CCCCCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1358918547 YQDLPIJPIXSDOZ-QHCPKHFHSA-N 442.564 2.352 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1358952565 PREGLDBBYDDRBX-UHFFFAOYSA-N 428.537 2.037 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358960496 FZLJHZRAPZHTSR-FQEVSTJZSA-N 439.516 2.349 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359053564 RANBDYXLPNSOPY-CVEARBPZSA-N 431.587 2.441 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 1359056572 HMZMYHFMRLQUFU-OAHLLOKOSA-N 440.541 2.461 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1359208059 DZJUGDZKQUXVIH-SCTDSRPQSA-N 436.626 2.308 30 10 IEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359289980 YXVSYXCTGAHDSK-UHFFFAOYSA-N 440.548 2.180 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccccc2)C1 1359313740 QQWKFSBEWQATCX-ZHALLVOQSA-N 433.578 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccccc2C)C1 1359326534 CGRXJMBWWGXMOE-GOSISDBHSA-N 445.589 2.319 30 10 IEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359337915 FTKHUIPNBXZZFB-KRWDZBQOSA-N 428.562 2.429 30 10 IEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 1360836845 BZJZPJXIDQALGD-WIYYLYMNSA-N 429.546 2.399 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 1446282732 WYNAWIJZDCLXIY-CQSZACIVSA-N 434.541 2.407 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@@H]32)s1 1452965237 BKZYJFQDPDJBKY-ULQDDVLXSA-N 440.587 2.335 30 10 IEEE COc1nc(N2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)ncc1Br 1457240096 RXNDUKMVMLSGIV-UHFFFAOYSA-N 437.685 2.130 30 10 IEEE COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1471382749 KURVTPUTVIGDOM-GOSISDBHSA-N 426.473 2.115 30 10 IEEE Cn1cc([C@@H]2C[C@@H](NS(=O)(=O)c3cccc(Br)c3C#N)CCO2)cn1 1475446330 HYIHYBKEJXGVTN-WFASDCNBSA-N 425.308 2.253 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H]1C 1502264120 VFWVPFDAUVFRTG-WAOWUJCRSA-N 440.548 2.063 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC[C@H]1C 1504500651 VKASJYVXMXHFEV-QRWLVFNGSA-N 431.500 2.220 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1504686211 ZJDMLDDSELAYIM-PZJWPPBQSA-N 441.532 2.397 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507627975 LVQKMVTXNNQUBJ-WMZOPIPTSA-N 432.546 2.288 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC=CO1 1507654089 VNQQASBMEYOPQM-MOPGFXCFSA-N 441.532 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCS(=O)(=O)C1 1507672736 FSNSANQXCXDAAH-FQEVSTJZSA-N 440.569 2.187 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1507848470 YEZFOHUTZUSSEI-CABCVRRESA-N 431.459 2.149 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccccc1 1507929219 OGMOJLQNDWNVIR-ICSRJNTNSA-N 436.560 2.427 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCS(=O)(=O)C1 1508037738 JNZCWCUEYSSZHJ-HNNXBMFYSA-N 439.969 2.457 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508463486 CRUDYMYOOFFSFX-LJQANCHMSA-N 449.559 2.180 30 10 IEEE C[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1512243710 FKULFWIKTVWXFV-MRXNPFEDSA-N 446.602 2.184 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCOC1 1517042733 NWCSOHFXNJHPQC-RBUKOAKNSA-N 446.502 2.398 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CC1 1517606993 DUJFXYDWMWJFJZ-UHFFFAOYSA-N 445.531 2.175 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 1525837905 GGDYSJYTXKSJIA-CYBMUJFWSA-N 434.290 2.107 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)s1 1530808379 IBENCDRFVTZMBR-UHFFFAOYSA-N 446.598 2.106 30 10 IEEE CNC(=O)[C@@H](CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)Cc1ccc(F)cc1C 1537463443 MXMICTZPUFWIJG-GOSISDBHSA-N 441.507 2.240 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c1 1538388617 WNOYGXCESSZBEU-UHFFFAOYSA-N 431.558 2.284 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C#N)cc1OC)c1ccc(S(C)(=O)=O)cc1 1538509896 XJIAVPBVVITIQU-OAQYLSRUSA-N 430.482 2.179 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1539146091 XFZBTABHHOUNEE-QGZVFWFLSA-N 430.553 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C(C)(C)C 1539257902 OZNZMDKETKFZMU-IBGZPJMESA-N 432.528 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(C2CC2)C1 1539300930 YPMXEJIVQASAPZ-HYBUGGRVSA-N 425.577 2.266 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CC1 1539436156 LOLYMKYGJNVWIT-INIZCTEOSA-N 436.343 2.423 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539496938 DCNXKHCUANOFDJ-QFIPXVFZSA-N 441.557 2.045 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539514500 QXWHGHITJRETLE-UHFFFAOYSA-N 444.649 2.437 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1539903557 ZWRDYQBDKOPFJL-ZACQAIPSSA-N 426.631 2.410 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1539977274 MBYAIDWAKVJKAG-UHFFFAOYSA-N 440.523 2.468 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1542521620 IFYGCAHPBJHPBU-SJORKVTESA-N 444.561 2.174 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)CC2=O)cc1Cl 1544068194 BVXWTIUKTBGUNU-KBXCAEBGSA-N 445.306 2.431 30 10 IEEE CO[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C 1554672350 LPSUBBCJIJQNJB-XWTMOSNGSA-N 448.568 2.449 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@H](c2ccccc2)C1 1557033212 UOWSPOBOOGURTH-FQEVSTJZSA-N 440.569 2.459 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@H]3CSC[C@@H]3O)C[C@@H]1C)C2=O 1565538619 FPYUQGZUQAFNTJ-AYUSFXAWSA-N 439.917 2.230 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CCO2)c1 1567193928 FYGNWEYQMYOHED-FCHUYYIVSA-N 435.480 2.496 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 1583069243 WFBCFHKLJARONV-NYHFZMIOSA-N 437.537 2.087 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1583802141 CAUATODSYAZBTO-UHFFFAOYSA-N 445.541 2.052 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C 1586566145 OHVYQLCGYZYJPC-KGLIPLIRSA-N 426.498 2.334 30 10 IEEE Cc1nc(SCC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(C#N)c(C)c1C 1587711068 YIYPFYADBCFJCS-SJORKVTESA-N 434.562 2.457 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(=O)COC)CC1 1587817742 FJSLBECPNHAHSZ-UHFFFAOYSA-N 447.543 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCC 1588124263 IFLXKWIRCJWJBF-DEOSSOPVSA-N 432.528 2.299 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1588228376 FAXGHCXONFIGPL-FQEVSTJZSA-N 439.585 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1588254490 XERIUPBELSZAOB-UHFFFAOYSA-N 444.532 2.284 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cnnn2C)CC1 1588864352 CTPIITHJHHXYOH-UHFFFAOYSA-N 448.575 2.221 30 10 IEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC#C)CCOC 1588993165 DZDIRZBBMQEUJM-UHFFFAOYSA-N 436.379 2.499 30 10 IEEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)C1 1589347120 GSPPLDJJBLBFCN-UHFFFAOYSA-N 426.702 2.452 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1595476088 HTNSQUCGLCPOAF-MRXNPFEDSA-N 426.569 2.406 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 1596547672 NWMJTXPSPDZXPG-NRFANRHFSA-N 429.498 2.087 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H](C)C2)n1 1612502882 NVICKPXRYDNGHW-NQIIRXRSSA-N 440.596 2.381 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1noc2c1COCC2 1617397435 ORSDEKGWCRYMPE-UHFFFAOYSA-N 436.262 2.475 30 10 IEEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1618024536 HDJWOMUHXOSPLS-UHFFFAOYSA-N 447.471 2.203 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)c1ccc(F)cc1 1622167778 PBFOPSXEYUVQOI-AWEZNQCLSA-N 429.242 2.479 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OCC 1622449973 GLADPKSRDJEZAD-GFCCVEGCSA-N 449.856 2.333 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(S(N)(=O)=O)c3ccccn23)cc1 1626770003 XYEVGYIKJYAGDB-UHFFFAOYSA-N 439.497 2.048 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1629326029 GAHNSTRDKCFYJI-IRXDYDNUSA-N 449.552 2.118 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1)c1cc[nH]n1 1631289802 QTWBZPUKJIDXJD-UHFFFAOYSA-N 436.472 2.470 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1 1636158518 RPKSXWFPXPUBIM-UHFFFAOYSA-N 442.497 2.011 30 10 IEEE COCCn1nc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1=O 1636464134 UEYMTUOPYMLJIH-RKDXNWHRSA-N 449.298 2.133 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1651156268 FBFKFGIDURKQSD-UHFFFAOYSA-N 428.514 2.036 30 10 IEEE C#CC1(O)CN(C(=O)c2ccccc2NC(=O)c2ccccc2I)C1 1653281550 QUMALJWJTDNDQW-UHFFFAOYSA-N 446.244 2.364 30 10 IEEE C=CC[C@H]1CCN1CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1660526186 GWFGMSWLRSMQQD-SFHVURJKSA-N 425.533 2.219 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(C(=O)OCC)cc2Br)CCOCC1 1665590254 KTKVLWRWTMUUCH-UHFFFAOYSA-N 430.320 2.477 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OCC 1669267186 MBQRERXJLLCFDL-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE COc1ccc(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1C#N 1673850095 DSXLKRINKIIIMS-UHFFFAOYSA-N 444.513 2.051 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)CC1 1685511480 SLDVJIFIMVXYJD-WOJBJXKFSA-N 440.544 2.348 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1686112232 APRJKUCIERLSNY-GUYCJALGSA-N 440.338 2.468 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1686543830 ZXSBZNJGEGSINA-HKUYNNGSSA-N 435.590 2.343 30 10 IEEE C#CC[C@H](CO)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1687014225 LEJHGWBZRYKCOW-HOJAQTOUSA-N 431.533 2.472 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NCc1ccccc1 1689868526 JISYICTWISCPRN-LMNJBCLMSA-N 425.533 2.167 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1689990059 LCEYEWDBYGBIKI-REAYAIGQSA-N 442.541 2.384 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@](C)(O)c2ccc(F)cc2)n1 1690108391 XFHGVTAHBQKRBT-JOCHJYFZSA-N 426.496 2.116 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCOC2CCOCC2)CC1 1690114622 ASHKIFAXUCIBPW-UHFFFAOYSA-N 439.560 2.295 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCn2cncn2)CC1 1690115343 BOCKGWYRMDQFLZ-UHFFFAOYSA-N 431.331 2.299 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690228863 HKGNHCVKVARSID-HNNXBMFYSA-N 449.415 2.415 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C 1690255083 NWWTWBSGVANNAR-IKGGRYGDSA-N 430.553 2.030 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1690449513 JEDDXNMURIJBOO-VQIMIIECSA-N 428.624 2.231 30 10 IEEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1690510757 DZTHQZXAJBXJGD-UHFFFAOYSA-N 440.953 2.338 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2COCCO2)C1 1690690108 RIOFPIWKIKEIBJ-RBUKOAKNSA-N 429.477 2.440 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)(F)F 1691005764 DYKIPBDBIFDIQZ-LLVKDONJSA-N 430.381 2.421 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCO[C@@H](C)C1 1693843273 TZPQBIUETKEKHI-KRWDZBQOSA-N 439.564 2.437 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1696773281 YAKUXOINMDJWQR-UHFFFAOYSA-N 445.467 2.267 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1697190729 AVJITVZFMBAEFA-VQIMIIECSA-N 426.521 2.067 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1)OC 1697767127 MPUDVMORMIVLLT-UXPWSPDFSA-N 429.521 2.251 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705527334 ZRSJUGNZHPDDPO-OAQYLSRUSA-N 436.516 2.478 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCN(C)C1 1705608492 UCGZKIZCCXEDHY-LJQANCHMSA-N 436.329 2.373 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1705674438 JBPUPJVVBYHVOX-HTAPYJJXSA-N 444.557 2.260 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1705819764 TYXUKTNWMSALSH-ROUUACIJSA-N 425.599 2.450 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1705862939 ZBDAKBUBLDKPQC-YLJYHZDGSA-N 442.539 2.282 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(O)c2)C1 1705915395 UIRXLXIYPCTBAI-KRWDZBQOSA-N 427.505 2.058 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1706746973 GUFDFEZMFKRAQD-MJGOQNOKSA-N 425.537 2.190 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710326560 BGDMQLSIYKOGAT-XMSQKQJNSA-N 426.496 2.412 30 10 IEEE CN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1711140238 CWBWTXOYWIWTFB-UHFFFAOYSA-N 444.561 2.001 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCC(F)(F)C1 1722429911 XJUVNXIPVAFGCQ-IAGOWNOFSA-N 444.548 2.482 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722462246 ZBOVBCLEBPQAPQ-UHFFFAOYSA-N 438.601 2.469 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722466084 ZDWMOIWMPLLNRV-KRWDZBQOSA-N 427.574 2.453 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722547290 DLXINSIUOUFDQT-MRXNPFEDSA-N 439.951 2.358 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1722625640 ZCGWQVWFIZMLRR-QFIPXVFZSA-N 437.479 2.227 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722682400 GUFVPOPDSYRFOD-QGZVFWFLSA-N 440.367 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722695406 BOIQKHHNBXMQJD-SJORKVTESA-N 428.924 2.148 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1723773946 JCYFTGKMODNFMP-AWEZNQCLSA-N 447.337 2.305 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)c1 1724267106 GNJBRCNLARDHPE-SFHVURJKSA-N 446.577 2.248 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 1726244209 DNMJHEQZUWCFCE-CQSZACIVSA-N 436.545 2.276 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1727293613 GBGKMOBREXGCRG-SFHVURJKSA-N 440.548 2.242 30 10 IEEE CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCOCC(F)(F)C(F)F 1727540420 XEROMNVSXXCVMV-SNVBAGLBSA-N 449.371 2.262 30 10 IEEE Cn1ccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1729581225 IHLQXTLXYHINCE-PXARDIRTSA-N 444.515 2.273 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1730946986 SJKSBEOEGLMZMD-VRHCTWJESA-N 437.426 2.220 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740577168 UTBSNIBRRAZTME-QHCPKHFHSA-N 425.508 2.441 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740582169 KYXIQUSPAPOZEF-YLJYHZDGSA-N 445.589 2.470 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1740625248 DWUYEYOWVYWYOG-LJQANCHMSA-N 430.574 2.034 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2Cc2cc(C)nn2C)n1 1740688218 BZCMXPSTUKIOSP-UHFFFAOYSA-N 438.580 2.440 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CC=CCO2)n1 1740689726 ZMECQYFTHHTWHX-OAQYLSRUSA-N 447.543 2.476 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1740714063 PZAUNESHZGYWFH-UHFFFAOYSA-N 433.603 2.092 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1740751039 XGMXRXQNUUQTFD-OALUTQOASA-N 446.596 2.140 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740859675 PEXZTCTYODOOSO-PKOBYXMFSA-N 443.573 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740989687 VMKSCPAKYCVLTN-HIFRSBDPSA-N 447.483 2.040 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1747427224 LVLXUJYPYJKYDB-UHFFFAOYSA-N 444.561 2.167 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1748745853 ULINWJOJHZNOEZ-GHTZIAJQSA-N 435.580 2.345 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1748759740 NYFGORXOYCHWAB-SJORKVTESA-N 429.546 2.400 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1748829132 VSVYJMZDPAVTKT-SFHVURJKSA-N 433.537 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(F)F)cc1 1748846954 NIMQVLLZZHMBSL-QGZVFWFLSA-N 432.496 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC 1748891658 CPPCLKNWIJJVJN-LJQANCHMSA-N 426.542 2.090 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC(CO)CC1 1749682412 TZKDOAISENPHCC-UHFFFAOYSA-N 431.562 2.090 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OC(C)(C)O2 1749822057 OPTNYKHKJJOFRQ-UHFFFAOYSA-N 442.520 2.338 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1750076182 LLYSGCNIFYZELM-HOTGVXAUSA-N 434.541 2.219 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1750349721 NTIHZOSGAHRERX-GASCZTMLSA-N 441.513 2.475 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1(=O)=O 1750790861 HCSHIGIRFIHRLL-KRWDZBQOSA-N 438.598 2.150 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760132458 IRDCDCUVVWKOJY-QGZVFWFLSA-N 425.489 2.407 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC(C)CC1 1760219728 LUZPFQLGOKIIMB-NRFANRHFSA-N 445.633 2.155 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1760264440 NPOGCQZAZTYVKM-HXUWFJFHSA-N 438.576 2.226 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1760291057 YWCJRDBDPGPBCE-PKTZIBPZSA-N 429.565 2.325 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760335648 PFYADSLJXJUSJM-FXAWDEMLSA-N 441.580 2.401 30 10 IEEE C=C(Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1)c1ccccc1 1760362179 CNVURTJAPGSUCP-HXUWFJFHSA-N 433.578 2.177 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1760481082 MRJJGNPCSQNCQT-HXUWFJFHSA-N 425.533 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC)C1 1760558260 KOLDYOGDRIYKJZ-SFHVURJKSA-N 438.525 2.212 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CCCO1 1760690745 FQGWKNAPQZIINM-YWZLYKJASA-N 431.566 2.403 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)C)CC1 1766682001 BXVLJVDAKADNRG-UHFFFAOYSA-N 430.578 2.218 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1767087671 DSRSOVVXSDLQSS-QHCPKHFHSA-N 447.499 2.239 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@@H]1C 1771099876 CTIRVVKMQAWQOA-KFKAGJAMSA-N 429.546 2.286 30 10 IEEE C=CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCN(C)C1=O 1849168255 XQXCZUKOSJJDOR-ZWKOTPCHSA-N 439.965 2.129 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1852762543 KKPQMQOEWVRJGP-KRWDZBQOSA-N 427.461 2.327 30 10 IEEE CCOc1cc(/C=C/C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)ccc1OC 1860728696 JLUCIEFTBRQRKT-VZUCSPMQSA-N 446.481 2.140 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)NC)sc2c1 1866193084 OSGMPJVNZITVSS-KBPBESRZSA-N 436.559 2.252 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc(F)c(F)c2)CC1 1866867085 MMSTWSRNSVJDRA-QZTJIDSGSA-N 448.495 2.419 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873660709 AMXMIQOIZOMJQY-UHFFFAOYSA-N 442.470 2.262 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccccc1O 1874241250 WUGZWTWPKBLBAF-SSDVNMTOSA-N 427.486 2.421 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(N(CC)CC)cc1 1874432451 GTHGPSPGARWMGN-ZMOGYAJESA-N 445.593 2.261 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)c2c(Br)cnc3nccnc23)C1 1891357193 RVOXRMGQDLEVAA-UHFFFAOYSA-N 425.246 2.205 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1990680420 MUYAIUVBPKVRJE-HOTGVXAUSA-N 439.578 2.290 30 10 IEEE N#CC[C@@H]1CC(F)(F)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2225643970 JGQDMINRKHLJNQ-CQSZACIVSA-N 425.457 2.406 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387243 QEGDTWVSISRTHZ-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(CCN)Cc1ccccc1 2247949879 APLDOZKHIXJHSL-UHFFFAOYSA-N 430.379 2.444 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248401985 QKPYMBSCECIGEY-CABCVRRESA-N 426.319 2.294 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412386 JJMVNCRRGPGFKJ-LBPRGKRZSA-N 438.359 2.057 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624823 IUPAWNWVNIKHAA-LJQANCHMSA-N 427.354 2.379 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H]2CCOC2)c1B1OC(C)(C)C(C)(C)O1 2255631884 FZKPLIKLLGJUAV-SFHVURJKSA-N 425.338 2.459 30 10 IEEE CCn1cc(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815011 HHFRBKRMVNOQSG-AWEZNQCLSA-N 436.362 2.093 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829656 SOWHYDWAEVONLR-IBGZPJMESA-N 427.354 2.379 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256019129 WOXUNFHZVBCJAJ-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1 2256674748 MDACXFVFPSTKGS-HNNXBMFYSA-N 434.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)CCO2 2260124046 FXSLNNATLXVRNT-UHFFFAOYSA-N 431.342 2.207 30 10 IEEE COc1ccc(CNC(=O)CONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264095615 HGQKEOFRHVQISX-UHFFFAOYSA-N 436.314 2.067 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCC1 2267121703 AXFMUIMTYHESKF-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267143972 PYZNCDVXUPMHBK-CQSZACIVSA-N 446.357 2.038 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267148086 WGHLLIZQJQWFNJ-HOTGVXAUSA-N 448.373 2.378 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267265746 KBBKZHFMRHBVBY-OCCSQVGLSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CCO1 2267730254 WZRUKOWSOUPRMB-OAHLLOKOSA-N 448.325 2.362 30 10 IEEE COCC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2268632147 GVUGZLUNLAAHOM-UHFFFAOYSA-N 447.341 2.203 30 10 IEEE CC#CCN(CC(=O)N1CC(COCc2ccccc2)(C(=O)O)C1)C(=O)OC(C)(C)C 2300579435 ZQXZBPAIBBIIBF-UHFFFAOYSA-N 430.501 2.377 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2312860720 QFSPMRJCCNSHRC-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322296366 DGKRYGFEZAKXIB-UHFFFAOYSA-N 437.321 2.304 30 10 IEEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339260579 HFFMSJHOWMALHW-KRWDZBQOSA-N 446.309 2.303 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343640179 FJWYZJKBMANTSD-WBVHZDCISA-N 449.332 2.410 30 10 IEEE C=CCN1C(=O)CSc2cnn(CC(=O)Nc3cccc(Br)c3)c(=O)c21 65132967 MARHBFGVPCXTNF-UHFFFAOYSA-N 435.303 2.269 30 10 IEEE CCN(CC)c1ccc(N2C(=NC(=O)COC)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 254572414 FJYIXYFSMHGQTP-DLBZAZTESA-N 425.576 2.089 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(S(C)(=O)=O)cc1 431251885 WLWNHRCDGMVLLS-FQEVSTJZSA-N 436.436 2.448 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(OCC)c2)cc1 433887846 KQRYBCCZMFZSKE-UHFFFAOYSA-N 445.541 2.189 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)cn1 462098776 PYXROYWIUJWDGN-UHFFFAOYSA-N 448.462 2.066 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1 465907939 JSFJDGKJQKLIJX-OAQYLSRUSA-N 435.528 2.134 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4oc(=O)n(CCN(C)C)c4c3)cc2C1=O 478450304 RGADUSQXHGFPSQ-UHFFFAOYSA-N 434.452 2.190 30 10 IEEE COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c(C)c1OC 478599085 FMXVCACQIRRAOF-ZDUSSCGKSA-N 433.486 2.198 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](c4ccc(F)c(C)c4)C3)CC2)o1 491208531 RIPNITBCRFLIQF-HXUWFJFHSA-N 427.480 2.024 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)ccc1Cl 497320759 XXTVJFDXEFFJDX-HXUWFJFHSA-N 444.944 2.323 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)C2)c(F)c1 502550298 AVJFNAAUDLEDSV-RTBURBONSA-N 428.508 2.154 30 10 IEEE CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccccc1OC 503628019 XAKGSEHBTSPRFK-AUSIDOKSSA-N 440.544 2.359 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 515923688 YTFDMDYXQLYSSK-GOSISDBHSA-N 442.541 2.345 30 10 IEEE C[C@@H]1CN(c2ccccc2NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C[C@@H](C)O1 556326420 HCGHYEVGCUFQRO-LMMKCTJWSA-N 449.511 2.185 30 10 IEEE COc1cc(CNC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)ccc1C#N 583057210 KSJMBQQWFGRXCU-UHFFFAOYSA-N 430.530 2.394 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1C#N 604002696 JRVZMAAUIWGVRA-UHFFFAOYSA-N 446.919 2.229 30 10 IEEE COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)c1 623008998 NHAIVAJXXCVOPK-UHFFFAOYSA-N 440.565 2.463 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 679752722 DJZFWJVDUUFFOK-UHFFFAOYSA-N 440.484 2.498 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1 729257148 UJNYIFVPUHPMSV-UHFFFAOYSA-N 431.496 2.096 30 10 IEEE COC(=O)CSCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 729818611 BIQDDWUHRUNCEZ-OAHLLOKOSA-N 439.534 2.332 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O)O[C@H](C)C2 732155480 CCBZIYGCMYDTMF-PIUUAMGSSA-N 425.485 2.155 30 10 IEEE C#CCN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 733162083 FWJRVCZDEXNHIF-UHFFFAOYSA-N 449.935 2.349 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OC(C)(C)C3)c1=O 738009927 DZQIUUJFPFGJFW-UHFFFAOYSA-N 438.549 2.142 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)c(OC)c1OC 742272138 XMEKCRGKUBSUAG-UHFFFAOYSA-N 449.504 2.230 30 10 IEEE CC(C)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2ccccn12 742616929 ZBAKXKBQCCQUJZ-KUHUBIRLSA-N 440.529 2.060 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2nc3ccc(C)cc3[nH]2)C1=O 744431326 GWICXFNRBWZDPI-FGGSVNHKSA-N 436.541 2.445 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 752832998 GLBCBFGWTLNQGY-QGZVFWFLSA-N 447.561 2.025 30 10 IEEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 760948312 UGUWXOJZYMJHDA-GOSISDBHSA-N 447.538 2.142 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)O[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 770380798 IBZQFPNEJRMYOG-ZDBRSUKYSA-N 437.374 2.270 30 10 IEEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)C1=O 781401465 PRFYCXSYXRBEBK-DEOSSOPVSA-N 446.463 2.022 30 10 IEEE Cn1ncc(Br)c1C=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1 782169082 OHEKPEWLOHITAT-UHFFFAOYSA-N 427.328 2.198 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(CCCn2ccnn2)C1=O 784125117 FRAQRQDEVKCAAY-HNNXBMFYSA-N 436.925 2.098 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(Cc2ccccc2)c1 789967955 UKFLEEPKQJHFSG-INIZCTEOSA-N 436.545 2.408 30 10 IEEE COCCOc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=N[C@@H](C)COC)c1 789968196 MJZPOOATZGKNBZ-HNNXBMFYSA-N 430.534 2.188 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)n1 790986501 RYOUUIPTRMXBLU-QGZVFWFLSA-N 432.546 2.229 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(O)(CC#N)C2)c1 793870759 VAOPFLNDSIQWSO-UHFFFAOYSA-N 433.917 2.261 30 10 IEEE CCCn1c(COC(=O)c2ccnc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 795965902 YTJYHCJYVPOCNY-UHFFFAOYSA-N 427.486 2.320 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2ccnc(C)n2)CC1 800780142 KVISMZZTHPKFKL-UHFFFAOYSA-N 448.531 2.316 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCO2)cc1 802684178 NHUQGDFNOUCCBU-CTNGQTDRSA-N 433.516 2.084 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 854358429 XSGHUCHYTAIWFN-QGZVFWFLSA-N 449.573 2.283 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1129015311 CPZOLYVOKXQBTG-FQEVSTJZSA-N 443.481 2.076 30 10 IEEE COC(=O)CC1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOCC1 1137059511 DNXFTISLPQLOKG-ZGOJQLDESA-N 435.521 2.002 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1137629032 UZGMJAJNTIXFIK-UHFFFAOYSA-N 448.570 2.312 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1155619347 PRFZZCMYDAPDAQ-KRWDZBQOSA-N 426.498 2.095 30 10 IEEE C#CCC1(O)CCN(CC(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)CC1 1175669555 QILGCTCIKVAGMB-UHFFFAOYSA-N 445.560 2.109 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C[C@@H](O)COc1ccccc1C#N 1191671747 CQZIZJGROIERPO-LJQANCHMSA-N 429.542 2.391 30 10 IEEE COC(=O)C1=NO[C@@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)C1 1197086889 OXJNCLVBIRYINP-ZSEKCTLFSA-N 430.530 2.467 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccccc2F)CC1 1286470083 SDHWUBXGDYVOMF-UHFFFAOYSA-N 426.540 2.334 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(OC)C1CC1 1300284241 QQBFCPXOZCJZLP-ZHRRBRCNSA-N 445.589 2.468 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300319768 DWCHUDXLJWMSMJ-RTBURBONSA-N 445.589 2.213 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(CC)CC)c1 1300332745 MOIQDHAQBFNJBK-SFHVURJKSA-N 448.575 2.465 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1300371491 UEGKHHZOIORILP-LJQANCHMSA-N 436.564 2.099 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(OC2CCOCC2)c1 1300471834 QVOJRCVHTDGXNB-UHFFFAOYSA-N 435.532 2.210 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)C1CCCCC1 1300559708 YGHJCIWREPCNLC-XMMPIXPASA-N 441.576 2.184 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1300574697 HBSXCVSVSABFJH-UHFFFAOYSA-N 425.500 2.283 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301018773 LJFURJGVMJOHDQ-DLBZAZTESA-N 427.977 2.444 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1301151973 SZHJRSIWQNHFBI-SFHVURJKSA-N 449.577 2.378 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCOCC1 1301405426 FMSPEIDNEVLFOR-UHFFFAOYSA-N 436.516 2.450 30 10 IEEE C=CCSCCn1c(C2CCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301608855 ARLHHHBPXJNZHW-YLJYHZDGSA-N 432.638 2.454 30 10 IEEE N#CCCn1ncc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1-c1ccccc1 1302651966 QNGCIFCGIKMUEM-UHFFFAOYSA-N 442.479 2.446 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CC(=O)NCc2ccco2)cc1 1302999866 FAPHKIRRBYUCKT-UHFFFAOYSA-N 438.513 2.191 30 10 IEEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OC 1303685792 FAWHEIPWZRVLPE-MDZRGWNJSA-N 438.546 2.112 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCC(O)CC1 1306191963 CICQIQDXPIDMEB-UHFFFAOYSA-N 441.555 2.025 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1306532405 YDEWNHBTCOASEO-VXKWHMMOSA-N 443.573 2.383 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br)C(=O)OC 1309760419 GCZDJYRUHIRBKA-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE C=C(Br)CNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1311757214 NMAYPGCECPOPTC-XYEKJYRLSA-N 431.327 2.448 30 10 IEEE CCN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCC(C)C 1313551476 BBXMGHKSPFYAQA-UHFFFAOYSA-N 429.525 2.250 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)CN1CCCC1 1314394321 YBWSTLVKKQETFJ-IBGZPJMESA-N 438.580 2.140 30 10 IEEE COCCCN(C)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1316029265 RPNFARNNABABEP-LJQANCHMSA-N 435.532 2.190 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1342213626 WIJBZIHFLUEFFP-NVXWUHKLSA-N 443.363 2.406 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1358926005 YOTHVYMGCCYIDQ-PGRDOPGGSA-N 438.551 2.486 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1358954251 APIXCGKNYLWAAA-HDICACEKSA-N 446.596 2.229 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358959616 MITMKQFQCDKMOP-VQTJNVASSA-N 441.601 2.222 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CSCCS1 1359019294 QADHVADUBOXURW-FXAWDEMLSA-N 440.635 2.253 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1c1cnn(C)c1 1359026472 ZBMUJEHNIDJYFG-LJQANCHMSA-N 439.589 2.419 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2cc(C)no2)n1 1359027432 JJQCTXJOPILAKA-UHFFFAOYSA-N 446.515 2.476 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359037214 ZRZDZNKCYBJNHA-ZWKOTPCHSA-N 429.515 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC=CCC2)CC1 1359048313 MENAHGVVUKKEDM-JBACZVJFSA-N 441.576 2.324 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1359291229 ISDGZJSASGACRT-LPHOPBHVSA-N 440.548 2.315 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)C1 1360781237 UOKPRFLCCKXWTC-AUUYWEPGSA-N 431.447 2.480 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CSc4ccccc4O3)C2=O)cc1 1437099423 WEZZFVBKYCYEFY-SJORKVTESA-N 436.493 2.433 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1443662083 HZLUQGRWZDNOSU-SFHVURJKSA-N 431.489 2.384 30 10 IEEE Cn1c(=O)[nH]c(N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c(C#N)c1=O 1458587441 IXQGEQSZUGYNHX-UHFFFAOYSA-N 433.896 2.130 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)c1 1460535775 JOSDEVAQZQTDAQ-UHFFFAOYSA-N 443.511 2.386 30 10 IEEE C=CCOc1c(Br)cc(CNCCC(=O)N2CCN(C)CC2)cc1OC 1461165030 NFHWWEQVXUQYJT-UHFFFAOYSA-N 426.355 2.276 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 1463932987 BMBOIMHBWVGXCN-HNNXBMFYSA-N 439.534 2.341 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC 1466590063 HZIHPCLFYZQAIZ-UHFFFAOYSA-N 446.529 2.297 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 1467831976 IQZROOKYQCZXCH-IHRRRGAJSA-N 437.566 2.487 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 1469504211 BPAGUHIBXOIFMB-NRFANRHFSA-N 425.533 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(N3CCNC3=O)cc2)CC1 1471544889 ZXLIBUBLSFAAKR-UHFFFAOYSA-N 426.517 2.483 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 1472030584 BNAONYUFKKSWIB-SJCJKPOMSA-N 441.431 2.094 30 10 IEEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1473784190 OLDPBULWSZBXNE-ROUUACIJSA-N 426.435 2.264 30 10 IEEE C#C[C@@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1478893762 NDKSFHZXNYLDCF-MRXNPFEDSA-N 434.449 2.028 30 10 IEEE CCOCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CCC1 1503168676 YZGUERWKYCZQFF-FHWLQOOXSA-N 433.553 2.328 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1503695488 RFDDRONRFCAQBZ-UHFFFAOYSA-N 449.515 2.286 30 10 IEEE COc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)ccc1C 1504100038 HWUROMKSRFMATM-XXBNENTESA-N 441.532 2.413 30 10 IEEE COCCCN(C)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504815177 PBFQYBZEYZKQNG-NRFANRHFSA-N 437.592 2.398 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1504997458 DMMQGFHGKPXQLR-PBHICJAKSA-N 437.447 2.381 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCSCCCO)CCN1C1CC1 1505322530 PRDCNIRPPBAXDA-QGZVFWFLSA-N 430.553 2.376 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507566657 HLOQITUJVYSIET-FQEVSTJZSA-N 428.533 2.438 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507596038 ZXHFBSLEXKPEFY-OAQYLSRUSA-N 425.533 2.229 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(F)cn2)CC1 1507596338 HFUPJKVKSKZJIT-PXNSSMCTSA-N 428.512 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(COC)CCCCC2)CC1 1507740241 YXXYLMZHKKXSAE-FQEVSTJZSA-N 443.592 2.345 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507749936 CPEVFZQNVXDLOR-GOSISDBHSA-N 426.590 2.396 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccn(CC)c1=O 1507980613 HOBMUSOKRKSODZ-UHFFFAOYSA-N 434.548 2.304 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1508073034 GRDWIARWFJDGMJ-QGZVFWFLSA-N 429.956 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508134775 HLSNAVKKMGULSB-OALUTQOASA-N 446.573 2.417 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)C 1509944988 AWUIOXMJVMDTIU-ZDUSSCGKSA-N 435.326 2.446 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)c1 1511218645 ONRNAFMLYKSNFV-LJQANCHMSA-N 447.561 2.109 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C[C@@H]1C 1517709752 JFXOGGKTXQCOCJ-IWAYBZMOSA-N 442.545 2.005 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ncn(-c2ccccc2)n1 1519403283 DCELCQPRTAHLBL-UWVAXJGDSA-N 436.520 2.369 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CC2)cc1 1535242309 DPWSAJPTGSCOKQ-JOCHJYFZSA-N 434.496 2.244 30 10 IEEE CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 1538572625 YGOQHSNSUNVCSJ-KRWDZBQOSA-N 438.550 2.487 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COCc1ccccc1 1539370635 YNEUCVFRGMDVHH-QUCCMNQESA-N 430.574 2.493 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(C)COCCO1 1539422479 DCFJXZQNVQGZAM-HSZRJFAPSA-N 428.533 2.365 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2([S@](C)=O)CCC2)n1 1539422718 IUKCQZHPAJCSQM-HKBQPEDESA-N 446.621 2.360 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539821132 WBFRGQIQKCUOHF-RBUKOAKNSA-N 444.985 2.086 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1539940612 SZTWQGRXLUYISS-SFTDATJTSA-N 438.576 2.358 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1540037483 MCVXALBUTCXAAN-UHFFFAOYSA-N 439.568 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N(C)C(C)=O)CC1 1540867670 DAYWVOIKSJAEJW-UHFFFAOYSA-N 430.940 2.348 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1540869806 XIRKZALBHRCZSC-DLBZAZTESA-N 449.559 2.459 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1540919988 KQRRVMCBFOCUOM-QGZVFWFLSA-N 429.594 2.122 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCc2cnn(C)n2)CCOC1 1541725132 DIZJCIZYMBVLLY-JOCHJYFZSA-N 442.568 2.210 30 10 IEEE Cc1cccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)c1C 1542662801 LKJWUCIBZALEMH-DQRAZIAOSA-N 435.532 2.056 30 10 IEEE CCOCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1548241819 UVSDDQZLXHCCCV-QRQLOZEOSA-N 446.577 2.058 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1555989622 CLBPYDUDMVBQBC-IBGZPJMESA-N 438.532 2.438 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1558256553 SSOVHLSHUJAFMJ-AOMKIAJQSA-N 439.553 2.435 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1C1CCCC1 1560145476 LESNXZXHMIQPTG-WMZHIEFXSA-N 427.568 2.483 30 10 IEEE CN(c1cccc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1)S(C)(=O)=O 1565457655 FXDJKLXPSIMOPM-UHFFFAOYSA-N 445.520 2.125 30 10 IEEE Cn1cc(CNC(=O)c2cnn(C)c2I)c(-c2ccc(C#N)cc2)n1 1584730988 LKMFSUGRVKJISN-UHFFFAOYSA-N 446.252 2.227 30 10 IEEE C#CCCCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587793391 LPNCZYFYUFJLHG-HSZRJFAPSA-N 431.581 2.427 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588034663 JZPAOUPRYAFGEV-UYAOXDASSA-N 444.557 2.150 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(O)(CC)CC)CC1 1588857166 JSZYSRAMUWGLAX-UHFFFAOYSA-N 425.577 2.378 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593852559 UYYMWJQENWRDPE-UHFFFAOYSA-N 449.342 2.278 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1594760524 KOIBJUYCSMVMLL-HNNXBMFYSA-N 437.591 2.249 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1)C1CC1 1595058369 JRJWQJRMDYHDMT-WBVHZDCISA-N 446.552 2.020 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)C1 1595754145 LQCWVOWRNAPXTA-PMECCGAFSA-N 431.581 2.456 30 10 IEEE C#Cc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)cc1 1611349408 FYUPQKHIXYDMBY-UHFFFAOYSA-N 447.476 2.381 30 10 IEEE CC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1612730249 ZQTXFRDRTISAPJ-ZPHPPUNJSA-N 428.537 2.323 30 10 IEEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1617698400 ZXIKDSSSKYEMGO-UHFFFAOYSA-N 448.575 2.045 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C(C)C 1619448432 UHBARJKPIOWNJT-QFIPXVFZSA-N 444.511 2.470 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)[C@H](C#N)C1 1624819024 DZHATHZMFOZZFR-DGCLKSJQSA-N 427.427 2.266 30 10 IEEE CC(C)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@H](C)C1=O 1625721462 SATZLWYZLLBYRR-GRJHGRLYSA-N 432.565 2.489 30 10 IEEE COC(=O)C1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCSCC1 1625798363 FHDZJUQHTNQFFF-UHFFFAOYSA-N 438.347 2.312 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 1628663004 VJEHFBAYVYQMDE-LJQANCHMSA-N 444.509 2.075 30 10 IEEE C#CCN1CCCN(C(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)CC1 1634015819 HGOMMQQUUOJTCB-INIZCTEOSA-N 448.361 2.084 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](CO)Cc2cccnc2)C1 1634825978 REJYVPYPGOIUJE-HNNXBMFYSA-N 429.318 2.119 30 10 IEEE CCOC[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 1644093578 DDGGTOQBFJRTKY-MSOLQXFVSA-N 430.549 2.093 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](OC)[C@@H](C)CC)nnc12 1648795862 MXXXRUCSFFYGQW-WMLDXEAASA-N 429.546 2.500 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1649011716 OXCZBWHPXVSICL-UHFFFAOYSA-N 438.440 2.421 30 10 IEEE C#CCN(C(=O)CNC(=O)c1cccc(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1649381646 APBNWDXGOVKBOC-UHFFFAOYSA-N 429.517 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NC[C@@H]3CCCN(CC#N)C3)nn2)CC1 1650833721 FNZBZJUYTKQXJX-ZWKOTPCHSA-N 445.568 2.206 30 10 IEEE CN(C(=O)CN1CCN(C(=O)CC#N)CC1)[C@]1(c2ccccc2Cl)CCCCC1=O 1653646616 VCYJKEHZHGIGLC-QFIPXVFZSA-N 430.936 2.195 30 10 IEEE COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)[C@@H]1CCC[C@H](OC)C1 1662859497 DZDSWPKTTMOFFB-PVXIVEMSSA-N 445.335 2.346 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2 1664902558 ZHPIJQLFEUIULO-UHFFFAOYSA-N 433.509 2.443 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1665720875 BDXRSRULJLPUJA-NRFANRHFSA-N 433.574 2.147 30 10 IEEE COC(=O)C1(C#N)CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)CC1 1669195809 BVHIRWVPCQHGSZ-UHFFFAOYSA-N 431.308 2.066 30 10 IEEE C=CCN(C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1679445908 KHDHLVVGPSVRHL-CQSZACIVSA-N 426.539 2.167 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)NCc1nc(C#N)cs1)C2 1685441142 CSWUTGSBTXOMSF-MTJIALIYSA-N 449.533 2.003 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(Cl)cc1 1686918273 IPJHMXJBOIVMCN-QZTJIDSGSA-N 426.970 2.268 30 10 IEEE N#Cc1c(CCCNC(=O)NCc2nc3c(s2)COCC3)nn(-c2ccccc2)c1N 1687686833 MCOBMZXFTVLQKG-UHFFFAOYSA-N 437.529 2.287 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1687791330 SXYZCVZOHSKQJW-IBGZPJMESA-N 436.516 2.294 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1689910561 KAYFFKRRSLVKIQ-MRXNPFEDSA-N 442.568 2.185 30 10 IEEE C#CCCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689940972 FXEUKXCIKCVNJC-HSZRJFAPSA-N 429.565 2.227 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCCC1 1689951262 QROWWQALAHIFLU-UHFFFAOYSA-N 444.605 2.141 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689992986 SOHVBQZOSKKFBD-RTBURBONSA-N 444.532 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(O)cc1 1690018203 XOPSWERFAMLQGO-UHFFFAOYSA-N 441.539 2.473 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@H](F)C2)CC1 1690132240 MJCCOQJNNRDWFK-IRXDYDNUSA-N 430.553 2.163 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2nnc(CC)s2)CC1 1690150512 KVYCVBGQEGMZAX-UHFFFAOYSA-N 441.605 2.439 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCCOC)C1 1690243742 OUJXCXHREZVDHC-BJLQDIEVSA-N 428.537 2.348 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1690457531 XVRDKRAFVLPPHY-UHFFFAOYSA-N 433.534 2.112 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C(C)C 1690525828 QUCLISSMUUFXHM-UHFFFAOYSA-N 426.569 2.237 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1690573919 IGUCQAZKJMAWAQ-YADHBBJMSA-N 447.605 2.251 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(N)=O)CC1 1690683784 VLISZZJMZMSLRG-IBGZPJMESA-N 425.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690715960 YSFKEGMWMKFQCE-MBOZVWFJSA-N 426.583 2.167 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CCCO2)C1 1691285126 WQUBQLTXZRMQPY-SVQXRNPESA-N 446.552 2.347 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nc(C(C)C)cs2)n1 1693429485 HGVMHLHZQGEWSY-MRXNPFEDSA-N 426.550 2.497 30 10 IEEE CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)O)c2ccccc2c1=O 1695403655 HFIATJQDFLBURB-JOCHJYFZSA-N 439.495 2.278 30 10 IEEE COc1ccc(CCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C(N)=O)nc2)cc1 1697396188 HBLOGYQAZUDOFT-INIZCTEOSA-N 433.516 2.352 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1697859448 HWUACOUYMVYSGE-LJQANCHMSA-N 426.521 2.118 30 10 IEEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1697965484 SBASXPFLQKLNMF-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1698238756 IYHBEDSWTPGAKA-UFYCRDLUSA-N 430.553 2.001 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(C2CC2)C1 1705481139 AKPCQZRIZLHNFH-IRXDYDNUSA-N 427.574 2.291 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1705531436 JXYORCMEPIWCBQ-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705566579 OIUSXFLCQOBZAL-GOSISDBHSA-N 428.562 2.070 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1705604546 OIVVWAGXXATLNE-MSOLQXFVSA-N 438.532 2.483 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)SC 1705627044 RUYZEXWNWUPJRE-OAHLLOKOSA-N 436.607 2.076 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2Cc2ccc(C#N)o2)n1 1707834053 LEJLIDNAUICPCH-HXUWFJFHSA-N 439.520 2.283 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCOC1(C)C 1708273073 MIPBFIXHEZKECE-HJPURHCSSA-N 438.532 2.211 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)C1 1711445880 HLZIZGXAQWJIBX-PMACEKPBSA-N 439.516 2.402 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CCO1 1712302806 AVAMFQJUFNRTKU-CUWPLCDZSA-N 441.532 2.253 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCCSC)c1 1722309218 LIATVZLEGJRNCF-GOSISDBHSA-N 440.573 2.429 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1722371917 MYZWTTHTTLRJAV-LEWJYISDSA-N 442.585 2.115 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccc(C)cc2)CC1 1722433202 PFWOLNYJQZAUJD-DEOSSOPVSA-N 439.560 2.073 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1 1722460196 DHWSXFRUSCSCHQ-UHFFFAOYSA-N 427.574 2.349 30 10 IEEE C=C(C)Cn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1722553585 UGYMLWGUDIKWGT-HRAATJIYSA-N 431.541 2.081 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1722601245 SZHNOKSHPVEFKV-FUHWJXTLSA-N 425.599 2.498 30 10 IEEE C=CCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1722621959 DFGHEWGLYLREJM-SIKLNZKXSA-N 430.553 2.307 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722700460 KBZQTCDTDNIOMU-LJQANCHMSA-N 449.559 2.297 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC(F)C1 1723662029 WSAWAKZEVLVZNV-UHFFFAOYSA-N 434.541 2.329 30 10 IEEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)CC2)o1 1727447628 BSBHWASQWZYFJJ-UHFFFAOYSA-N 435.532 2.492 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CC1 1728665918 KMRGLOSGHPWMKV-UHFFFAOYSA-N 449.584 2.379 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729915071 KUCRUVBBCQQMRW-LSGABVIPSA-N 440.504 2.378 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740619035 LVPWXJHMFFJMSL-YOEHRIQHSA-N 449.558 2.232 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1740627145 YPJPIBHADHNFJM-SFHVURJKSA-N 427.555 2.000 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)CN2CCCC2)CC1 1740699933 ZOSWKJNMXRFNCO-HXUWFJFHSA-N 440.567 2.483 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)no2)C1 1740974379 LRUCJFINOKOTOV-QGZVFWFLSA-N 443.529 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1Cc2ccccc2O1 1748948591 SMBXTDNMLFTCCP-GOSISDBHSA-N 432.484 2.015 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(=O)N(C)C)c1 1748959182 OQLODVJTAROFQV-UHFFFAOYSA-N 432.528 2.485 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C)nc2)CC1 1748984647 OZDDKKGKTUVWLI-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2nnc(CC)s2)CC1 1749008784 BNCAMEYHJKCSHU-UHFFFAOYSA-N 427.578 2.364 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)n1 1749633260 DFHIGFJYWQAOKC-UHFFFAOYSA-N 435.488 2.372 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1749633857 QTSZLGWWFATRHP-UHFFFAOYSA-N 432.532 2.299 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681610 FEHZRMODAOVWIQ-HSZRJFAPSA-N 447.580 2.018 30 10 IEEE CC(C)(C)c1nccc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)n1 1750132422 KXUIVDRTJXOQTF-OPAMFIHVSA-N 440.527 2.391 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCn2cc(Cl)cn2)c1 1760127929 QVYNJRQGRBUFER-UHFFFAOYSA-N 441.923 2.421 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760157195 HPRRQGPUYOVGQF-QGZVFWFLSA-N 426.496 2.396 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](CNC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760160017 WGVVUCFPXLWLSF-CVDCTZTESA-N 431.581 2.332 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760177895 QWCSTMRSRJHDHE-LJQANCHMSA-N 425.533 2.038 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1OCC[C@H]1C 1760240305 NCJXTHDRDUQCIZ-GPMSIDNRSA-N 449.552 2.092 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760250429 ZKNKLHALDNDYLT-SFHVURJKSA-N 433.553 2.125 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCOC[C@H]2CCCO2)CC1 1760258336 TTWWWSMEACMXSV-LJQANCHMSA-N 427.524 2.425 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1760323296 BYNJQINGCJQVGL-KNQAVFIVSA-N 431.581 2.287 30 10 IEEE C=C(C)COCCn1c(N2CCN(c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1760361830 UHNPBSJSBYYDJD-QHCPKHFHSA-N 442.564 2.245 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760377917 SBFZSFOGRRGRMD-KRWDZBQOSA-N 434.997 2.426 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](COC)C1 1760516830 WIOPSVRXIGOTKR-YJBOKZPZSA-N 449.939 2.225 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1760522570 WURAHJMJXIGGHD-QFBILLFUSA-N 441.532 2.443 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760558898 DXVATQMGISJZEP-MRXNPFEDSA-N 436.582 2.148 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CCS(=O)(=O)CC1 1763101084 CCLUSOGGKDRYCC-UHFFFAOYSA-N 446.552 2.003 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1767675103 UETXGRWYPYMCDK-INIZCTEOSA-N 448.474 2.320 30 10 IEEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)(F)C(F)F)CC1=O 1769071084 RGNJKALHSSHZDW-UHFFFAOYSA-N 440.401 2.012 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1770980277 YJNUOAUSYYQBMJ-HSZRJFAPSA-N 434.500 2.268 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1771180684 QNECRSVOANCDCF-WOJBJXKFSA-N 448.612 2.489 30 10 IEEE COc1cccc(-n2c(C)nn(CCCC(=O)Nc3c4c(nn3CCC#N)CCC4)c2=O)c1 1852224303 DSIRQLCSAYXLOU-UHFFFAOYSA-N 449.515 2.369 30 10 IEEE C=CCN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)[C@H]1CCN(C)C1=O 1852599228 YYSRASMTCCDWEY-FQEVSTJZSA-N 427.526 2.127 30 10 IEEE C=CCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1 1852654678 PUVFIYRXTPHRJH-KRWDZBQOSA-N 444.395 2.082 30 10 IEEE COc1cc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)ncc1Br 1853032567 HDJXLBXOIBHCER-UHFFFAOYSA-N 446.305 2.098 30 10 IEEE COC1CCN(CC(=O)OCCCc2cn3ncc(C#N)c3nc2C(F)(F)F)CC1 1853105044 WVVVVOKPIJFTPW-UHFFFAOYSA-N 425.411 2.206 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1(C)C 1856110020 YTICASPEBASOKV-SFHVURJKSA-N 433.574 2.113 30 10 IEEE Cc1ccc(S(C)(=O)=O)c(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C#N)c1 1860908719 CYNOZYNVZYJTTK-KRWDZBQOSA-N 429.523 2.424 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862601219 ZDKROWHRBJHENK-QFIPXVFZSA-N 449.507 2.489 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862689888 BRHGUGDVWBKJOQ-GOSISDBHSA-N 428.397 2.270 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(CCC)nn2C 1864320440 RZWOLZJGCBECGA-KSSFIOAISA-N 426.517 2.129 30 10 IEEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(C#N)nnn2-c2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] 1870158815 PVFDHZBCDITBKB-UHFFFAOYSA-N 433.344 2.392 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1CN1CC(O)C1 1870339449 QORAXNYMZWFNKJ-UHFFFAOYSA-N 437.418 2.247 30 10 IEEE CCCCCCCOc1cn(CCO)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870838867 YJFDQWCXJBGDTA-UHFFFAOYSA-N 437.562 2.449 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874306710 LVUFWWBBYMPUFT-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1ccc2c(c1)OCCO2 1874469825 YZVMHQNMUPKXQB-FYJGNVAPSA-N 433.534 2.081 30 10 IEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NC[C@@H]3CCCO3)ncnc21 1875228486 QQQHDVMQUUFWIR-INIZCTEOSA-N 427.505 2.187 30 10 IEEE CCN[C@](C#N)(CC)Cn1cnc(I)c1I 1995368087 XOIZEOGVBUEZAJ-JTQLQIEISA-N 444.058 2.374 30 10 IEEE N#Cc1cccn(Cc2nc(C3CC3)no2)c1=NC[C@H]1CCN(Cc2nc(C3CC3)no2)C1 2059611736 YGPUTQDCRRDCJT-OAHLLOKOSA-N 446.515 2.352 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243429772 IBMIDBDCTVUSHU-ONSXPEOJSA-N 426.344 2.160 30 10 IEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N(CCO)Cc2ccccc2)OC1(C)C 2247901273 IADUJLFWQUFUOE-UHFFFAOYSA-N 431.363 2.310 30 10 IEEE C=C(CN(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 2248396153 WBBQBCRFIGCMAR-AWEZNQCLSA-N 426.319 2.089 30 10 IEEE C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248440022 DFGFAZLDEXWSOC-RISCZKNCSA-N 443.350 2.310 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255696145 PSIYJFKANXMQTN-GDBMZVCRSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255840020 HAAPDIQPSMBBQN-ZIAGYGMSSA-N 449.382 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255841834 IWSQQDPKJKMWBV-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)F)ncc1B1OC(C)(C)C(C)(C)O1 2256679634 MFUICLASZGLPRC-BXUZGUMPSA-N 438.309 2.274 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2259346672 XHPVKRCGERYHMX-HOCLYGCPSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)NCC1(CO)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2266051621 LJKBUWLBELPWPN-UHFFFAOYSA-N 447.385 2.484 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2268636207 ANKNAVCWJDQODZ-UHFFFAOYSA-N 449.332 2.272 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1OC 2296619674 HBZIAYRICOFCSG-FQEVSTJZSA-N 440.500 2.094 30 10 IEEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=NCC#N)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297474401 YTBSWTZLBNCNMW-VWCUIIQSSA-N 442.556 2.294 30 10 IEEE C[C@@H](C#CC(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2302425083 CKKFWZKGZUKOHO-JKSUJKDBSA-N 439.553 2.170 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2337202698 NHAIGZGQGVNPPS-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1C 2337328750 UPXJEFRQYQTLDS-SHTZXODSSA-N 448.373 2.061 30 10 IEEE CCOC(=O)C#CC(=O)Nc1ccc(Cc2ccc(NC(=O)C#CC(=O)OCC)cc2)cc1 15778792 JZCWLXQFQNRTDJ-UHFFFAOYSA-N 446.459 2.287 30 10 IEEE CC(C)(NC(=O)c1cc(I)ccc1Br)/C(N)=N/O 232529357 CQWHGPSWORRBEJ-UHFFFAOYSA-N 426.052 2.309 30 10 IEEE Cc1ccc(CNC(=O)C2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1F 301375954 RKXDCAJLFQNULS-UHFFFAOYSA-N 430.505 2.186 30 10 IEEE C=CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc(C(=O)OCC)cs1 409827753 UHYZVEISODPODC-UHFFFAOYSA-N 434.518 2.340 30 10 IEEE C=CC[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 410066368 WNWNCYSMFDEQLN-QGZVFWFLSA-N 432.498 2.316 30 10 IEEE C[C@@H](C(=O)N(C)CCC#N)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469994008 WDGZNYLTGYTHAG-AWEZNQCLSA-N 427.332 2.277 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC(=O)N2C(C)(C)C)cn1 484048477 GOCQLOKYLJJNTP-HKUYNNGSSA-N 432.488 2.199 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497572463 AOMKQRPRZMXZJP-CQSZACIVSA-N 443.575 2.301 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Br)cn3)CC2)c(F)c1 530617209 NVXHGKLRRURQJT-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 531938769 QCSMRTZVPIVYOQ-UHFFFAOYSA-N 443.594 2.119 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cc1 532781012 JSZCBZXVUWFDEL-UHFFFAOYSA-N 428.579 2.291 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C[C@H](C)C#N)C3CC3)CC2)cc1OC 532821725 XMMSTLATZGZGTF-OAHLLOKOSA-N 435.546 2.255 30 10 IEEE C=CCOc1c(Br)cc(CN2CCN(c3nccn(C)c3=O)CC2)cc1OC 537618768 KEPIBQTWNJMTIR-UHFFFAOYSA-N 449.349 2.438 30 10 IEEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl 542514352 ICJSBQLFGDVHMZ-UHFFFAOYSA-N 434.861 2.267 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1 544139050 YARYIBIGKSWKCS-IBGZPJMESA-N 426.498 2.084 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(C(F)(F)F)CCOCC3)CC2)cc1 553864765 OWKXWDBLRQQUPP-UHFFFAOYSA-N 445.463 2.187 30 10 IEEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 604459944 MFULLFABQHBNQQ-UHFFFAOYSA-N 433.917 2.296 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(OCc3ccccc3)CC2)cc1 727009978 HPOLKBUQLNHDDT-UHFFFAOYSA-N 435.480 2.039 30 10 IEEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/Cc1cccc(C(F)(F)F)c1 730144118 HLAUJSSFVHWXQI-ZRRMFLMDSA-N 440.491 2.207 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H]2CCCC[C@H]21 732154912 ZKGDGCZFIXQNOK-ZJEMCRNISA-N 432.521 2.197 30 10 IEEE C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 754402329 IFCUYMPLROAQNM-DXPKEERLSA-N 431.514 2.398 30 10 IEEE CCc1nn(C)c(OC)c1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C#N 763466254 JPYCZHQHRSRYAP-QGZVFWFLSA-N 440.529 2.131 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)CC1 764483154 DFIQNZPMNVDXPA-OAHLLOKOSA-N 425.445 2.076 30 10 IEEE C=CCNc1ncc(C(=O)OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)s1 770116889 JSENXFXLPXKJNY-UHFFFAOYSA-N 444.561 2.468 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 777319050 MBOPAXZUPUUMDH-UHFFFAOYSA-N 437.518 2.088 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)n1 788811101 PHZUTIPNKJZQKC-UHFFFAOYSA-N 444.557 2.026 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2c(F)cc(C#N)cc2F)n1 789966633 GQSWUIBSIDGXSI-ZDUSSCGKSA-N 429.456 2.457 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 792554606 IQMOZGZDIKKYON-UHFFFAOYSA-N 443.491 2.133 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2cccnc2F)C1=O 794447674 KOZCKMRHMJJSQR-HNNXBMFYSA-N 435.550 2.482 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(C(=O)N(C)C)CC1 800778934 PQPPCGNSBGJPCA-UHFFFAOYSA-N 426.521 2.195 30 10 IEEE CCN(CCCn1c(-c2cnnn2C)csc1=Nc1ccccc1C#N)S(C)(=O)=O 803182477 XUJYTCLFLSMRDP-UHFFFAOYSA-N 445.574 2.121 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 809909940 LNPMNLPTDFGSGT-SJORKVTESA-N 444.540 2.206 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1 812918326 QXSWTODGWCUJRM-BXDHAIISSA-N 432.468 2.465 30 10 IEEE CCSc1nnc(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)s1 1084475885 HDRQGAFNZMLAKU-UHFFFAOYSA-N 449.591 2.441 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCc1ccnc(N2CCOCC2)c1 1124823150 DVDYADWJBSXUCC-UHFFFAOYSA-N 431.290 2.248 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)[C@H]1CCS(=O)(=O)C1 1125953426 GGFYSVLPTKFTAL-KRWDZBQOSA-N 432.546 2.432 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cc(I)nn1C 1129263390 NKRKNPHQJWFQQB-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1143759010 IBBZTLYXZSKCLQ-CYBMUJFWSA-N 434.452 2.422 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1144923822 XCRUBHFXARWCLV-DFBJGRDBSA-N 431.492 2.056 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC(N3CC[C@H](O)C3)CC2)nnc1-c1ccco1 1148078346 HMQZBOGZPDYSSX-KRWDZBQOSA-N 431.562 2.264 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1148462781 APAVMQKXGKSGGE-GOSISDBHSA-N 437.562 2.267 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)C1 1171219895 RNHUVLGTGFTVLZ-NTKDMRAZSA-N 439.560 2.186 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272329 GMSXBWDQAPEIOO-CQSZACIVSA-N 448.472 2.140 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286325553 YZKZLRXZXOSWQL-SFTDATJTSA-N 442.608 2.109 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286504607 STUGGAGQUNJJPG-KRWDZBQOSA-N 441.605 2.479 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccnn2C)CC1 1286611716 NQXUYYQALFQJSB-UHFFFAOYSA-N 427.553 2.111 30 10 IEEE C=C(Cl)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635677 YTQGWTBDCYUHTI-HXUWFJFHSA-N 425.961 2.424 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286686722 JSNZLQFEOZSUMR-IBGZPJMESA-N 438.532 2.254 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 1286783252 IFICUCLMFUXRIW-QGZVFWFLSA-N 442.564 2.185 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccccc2C)C1 1286789073 ONFJWVNLZUOFAC-NRFANRHFSA-N 432.528 2.452 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1286808912 OCRNQEASGPZIKA-CVEARBPZSA-N 429.525 2.430 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1286967634 FURSSSYKSIHYDD-NVXWUHKLSA-N 438.598 2.033 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1290985138 FBSBZYGPRQCPJB-RDJZCZTQSA-N 426.546 2.149 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1291826145 FSLXUKFQJMTUJO-CRAIPNDOSA-N 430.484 2.030 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1293216755 DCCNCNACJBHROV-OAHLLOKOSA-N 444.293 2.263 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CN3CCCCC3=O)CC2)s1 1293881825 XOHUVPLFEOFIFU-UHFFFAOYSA-N 439.603 2.006 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)C1 1294848072 NKSRDYCHNOJLRO-JOCHJYFZSA-N 425.489 2.327 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC[C@H](C)C1 1297270051 BTKMXBNQOMXQNE-WMZOPIPTSA-N 426.569 2.491 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(=O)NC)C1 1300357301 MAXADVSGHATTSA-FQEVSTJZSA-N 434.500 2.355 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1300429005 XDIQNXAYOLHKHX-LPHOPBHVSA-N 443.508 2.362 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300499892 ZJHIQALLRFAGMZ-AWEZNQCLSA-N 438.541 2.399 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC)c2)CC1 1300719692 MHKJQBIBIRGTCX-UHFFFAOYSA-N 445.527 2.148 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCOC1 1300983671 MDZLXJXEQNMHQE-QGZVFWFLSA-N 448.593 2.304 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1301109451 JGDHQMDIDBGOOQ-HYBUGGRVSA-N 446.640 2.359 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCCC1=O 1303635796 FGJRYIPKLUPCJL-GOSISDBHSA-N 449.559 2.310 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1305795269 VCDKTGIKFCMYSS-OAHLLOKOSA-N 449.550 2.387 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1316029191 PFXIQINQOLNMHW-CBQGHPETSA-N 438.576 2.382 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1316044875 DMUUYOJZCJXJTK-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)OCCc2sccc21 1316210596 PXNLHAFILSTXCU-WHSLLNHNSA-N 447.561 2.280 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1358901019 YBBLEFZLMHHYDH-ZSYWTGECSA-N 446.596 2.227 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358962190 MAGZXNSLIJKNKH-INIZCTEOSA-N 442.570 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC(C)(C)C)CC1 1359047025 NXQNIESYPYWWGR-UHFFFAOYSA-N 428.581 2.193 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359056106 YEDDHZNXORYXQI-UHFFFAOYSA-N 426.546 2.064 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359058452 DOGDLXBAJNYVKR-UHFFFAOYSA-N 431.525 2.165 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C)C1CC1 1359251653 RIEKGVRCTXCWSB-MRXNPFEDSA-N 437.591 2.184 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1359277090 BNNGUUHXUBHXEX-IERDGZPVSA-N 434.562 2.169 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359298287 UJPUWJANSGCZAA-PXNSSMCTSA-N 435.532 2.437 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359304594 CGGVQVSXKBKXQG-AEFFLSMTSA-N 444.967 2.486 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccccc2)C1 1359313739 QQWKFSBEWQATCX-YQVWRLOYSA-N 433.578 2.473 30 10 IEEE CC(C)(C)OC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359581523 BRNUVRPOIYTZRK-CZIZESTLSA-N 428.537 2.466 30 10 IEEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1nc2c(cc1C#N)C[C@@H](C)CC2 1440102861 PCZNRNVUVSNHLX-LBPRGKRZSA-N 431.500 2.408 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)COCc2ccnc(O)c2)CC1 1443660139 BNOCPXWFKTZDKS-SFHVURJKSA-N 445.317 2.475 30 10 IEEE COC(=O)[C@@](C)(Cn1cccn1)NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1460915714 ONJRSXXJSHLUQY-LHSJRXKWSA-N 429.546 2.491 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)CCCN3C(=O)c4ccccc4C3=O)CC2)o1 1461071288 IVQRSEHYPCIENA-UHFFFAOYSA-N 435.484 2.216 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1469888073 GGGIQIJIOAHPLA-HXUWFJFHSA-N 446.504 2.112 30 10 IEEE C=CCn1cc(CNC(=O)NCCC(=O)N(C)Cc2ccccc2Br)nn1 1477867677 SSCXUCXJZLOTNZ-UHFFFAOYSA-N 435.326 2.075 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)C1CCN(S(C)(=O)=O)CC1 1503411935 BYJJXMQHJJVHGA-FUHWJXTLSA-N 432.525 2.207 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1507587938 BRESABVIQZQJSF-UXHICEINSA-N 443.573 2.018 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1507643489 WBFVPMAPNXKUNN-JKSUJKDBSA-N 449.964 2.082 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1507753473 LKYMZFFHDZGJMQ-UHFFFAOYSA-N 432.981 2.350 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507845296 YRKKLWDPTQDZTB-WOJBJXKFSA-N 433.597 2.454 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)COCCO1 1507997683 DEBROXGLSSJSHE-QHCPKHFHSA-N 443.548 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1508082316 RZMZCOMMXYBWCH-LJQANCHMSA-N 438.454 2.172 30 10 IEEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1=O 1514946659 NIWJFUQHMBWJJX-UHFFFAOYSA-N 442.589 2.381 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1515674331 IEOCHMQUMRONMG-PMACEKPBSA-N 427.505 2.149 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCC(=O)N(C)C 1519149808 CCUSTULRVYHJDR-FQEVSTJZSA-N 440.548 2.175 30 10 IEEE COc1cc(Br)c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 1519190351 GFXWGZGIDYYNIT-LBPRGKRZSA-N 446.305 2.479 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)cc3c2OCCO3)n1 1520239067 KGQUBLLQLMICAZ-UHFFFAOYSA-N 434.290 2.339 30 10 IEEE C=CCc1ccc(OC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c(OC)c1 1529603626 AWCUBHYTXIDWDD-UHFFFAOYSA-N 438.523 2.461 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1539120764 ZUQBVTGLGJVQIN-QGZVFWFLSA-N 432.546 2.247 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539123905 GSXTXRAFVWJDJM-UHFFFAOYSA-N 429.590 2.451 30 10 IEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOCC(F)F)CC1 1539460123 WZYIAEVRECSQEE-UHFFFAOYSA-N 428.487 2.318 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1539552693 ZQNVBMAIPZSXHH-DYESRHJHSA-N 433.507 2.027 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539557337 QVAKEUKRTHVVAS-YADARESESA-N 437.544 2.289 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539752041 ZYVHWHUZBOYJMV-VXKWHMMOSA-N 441.576 2.230 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CSC[C@H]3C(=O)NCC3CC3)C2)C1 1540577676 CPOOWKAIHFERLD-JBLFJGJOSA-N 448.589 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)CC[C@@H]1C 1540901395 BZCLLVFGTDYDTJ-CABCVRRESA-N 435.550 2.231 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)c1cc[nH]n1 1542163477 WCMPEWGDSKQEOZ-UHFFFAOYSA-N 427.383 2.417 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(NS(C)(=O)=O)nc1 1543990525 MRJPOZDFWAIGQJ-UHFFFAOYSA-N 426.248 2.315 30 10 IEEE CCc1ccc([C@@H](C#N)NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1544874665 JNIZTDUSPGNLFC-JBYIUTFZSA-N 447.557 2.212 30 10 IEEE C#CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H]1CCS(=O)(=O)C1 1545062796 PRKBLIAIKLJVBB-HZPDHXFCSA-N 435.546 2.062 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1546079108 GAYIRJBHQWTJNV-NRFANRHFSA-N 446.577 2.294 30 10 IEEE CCn1cnnc1Cn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1547632552 GPNPJMKFOXGGQH-UHFFFAOYSA-N 433.564 2.429 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)C[C@H]1OC 1555787004 UAQYTAGAFOAGRR-IYBDPMFKSA-N 447.293 2.399 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCN(CCC#N)CC1)Cc1ccccc1 1557980259 DCFWACREYCBKQW-UHFFFAOYSA-N 429.565 2.071 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)C[C@H](C)CC)nnc12 1558999898 VTBPTOHVIYRODC-CABCVRRESA-N 429.546 2.236 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cc2csc(N3CCOCC3)n2)C1=O 1568439838 GJPQCXBRNKWGEG-FQEVSTJZSA-N 437.566 2.224 30 10 IEEE C#CC[C@]1(C(=O)N2CCN(c3ccc(OCC)nn3)CC2)CCCN1C(=O)OC(C)(C)C 1585401336 KFVBFPSNFSRVKI-HSZRJFAPSA-N 443.548 2.317 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1587645627 KUHLZMLALOZXRK-PXKHIBQASA-N 440.454 2.131 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1587861133 HACRSGDUXIDDJU-MJGOQNOKSA-N 432.521 2.311 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(CCCCC2)O1 1588673667 WQDHLWHEEGJMKL-LJQANCHMSA-N 429.565 2.368 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2ccccn2)CC1 1588864266 BGIMNWQXLZSKGB-UHFFFAOYSA-N 432.576 2.268 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(C)c1 1595083726 DYSLFYCZMCAFHO-UHFFFAOYSA-N 430.516 2.360 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1595100660 RXDOJUPHXBSPKM-XLIONFOSSA-N 442.589 2.195 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CCCO1 1595292625 YTMJKJMSEMZZEL-HSZRJFAPSA-N 438.532 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](OC)C(C)(C)C1 1595506751 LQEZXVRGAMGFJK-GOSISDBHSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1595593799 IXWMJIZIWPPWBE-AWEZNQCLSA-N 441.458 2.174 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc2c(c1)OCO2 1595785170 SFPGFUORHZQJJH-UHFFFAOYSA-N 443.529 2.250 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1595812068 MAZOFGRPNDSQLJ-IBGZPJMESA-N 432.594 2.486 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1595884948 XKVHAAXRDPGZTL-CRAIPNDOSA-N 428.649 2.433 30 10 IEEE N#Cc1cc(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)ccc1Br 1597753073 ABTFIKFSBKXYGQ-UHFFFAOYSA-N 434.275 2.114 30 10 IEEE CC[C@@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccccc2C#N)CC1 1613074060 LFFXJSQEIATYQP-WZONZLPQSA-N 442.564 2.361 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1613675878 LVADEEGOAURVQG-GOSISDBHSA-N 425.537 2.274 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCNS(=O)(=O)CC 1613997175 UURWEYVEWNUANV-LJQANCHMSA-N 430.578 2.111 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)(C)C)C[C@H]1O 1618884632 IWMLQOLBLXEDIW-GUDVDZBRSA-N 441.532 2.238 30 10 IEEE CO[C@H](CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1618958960 NBDFYFWQSNSWGG-IAGOWNOFSA-N 435.454 2.484 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C[C@H](C)O1 1619736565 DXTSJQXCZRQPQA-PXNSSMCTSA-N 440.548 2.219 30 10 IEEE C[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1623603340 XQODXWPQJFZQKD-RXVVDRJESA-N 444.576 2.456 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1623648925 HEFPLIQQGSSUDR-HNNXBMFYSA-N 430.929 2.424 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCc3c(CC#N)cccc3C2)c1 1634852008 BOSBTWNEDDKGRK-UHFFFAOYSA-N 425.510 2.209 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 1635089334 YNMCSZFYAOWSJA-LBPRGKRZSA-N 433.914 2.275 30 10 IEEE C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1636893451 CZJUWFUXFQRZTN-LLVKDONJSA-N 434.299 2.332 30 10 IEEE C#C[C@@H](CO)NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 1637744322 QSSPYJKARLLUTJ-ZDUSSCGKSA-N 434.233 2.267 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639175691 YAWHEWPTGMEDMV-FIKGOQFSSA-N 439.578 2.247 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)C2)c1 1642543300 PIFMJPJTUBSHNY-UHFFFAOYSA-N 428.489 2.418 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1657570498 HFRAPPQCQQHALB-UHFFFAOYSA-N 431.493 2.302 30 10 IEEE N#C[C@]12CN(Cc3cc(Cl)ccc3I)C[C@H]1CS(=O)(=O)C2 1660452600 HTXAMXMLDOWTFF-SMDDNHRTSA-N 436.702 2.315 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1689844768 IUEVNWYGDIVJRA-IBGZPJMESA-N 431.544 2.090 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1689941517 QWGNBGRIPAGQDA-XXBNENTESA-N 431.581 2.033 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnnn1CC1CC1 1690062260 IOUJGAVCRFMKHM-UHFFFAOYSA-N 428.447 2.451 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690171055 VSYVRDXLWKYXJM-QGZVFWFLSA-N 426.502 2.067 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690312996 IPNIBOUIHRPBSR-UHFFFAOYSA-N 432.613 2.346 30 10 IEEE CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1696482268 YCKHMTFPPCGWEG-SFHVURJKSA-N 427.452 2.024 30 10 IEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1697145457 DALVPMPCSPYYIR-CRAIPNDOSA-N 434.566 2.067 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)OC)n1CCN/C(O)=C1/N=CC=CC1=O 1697279399 POWPOQHPKWPODU-VLGSPTGOSA-N 432.868 2.131 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[C@H]2CCOC2)cc1 1698489381 PQSRGFOYSJUASK-OALUTQOASA-N 438.532 2.247 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@H]1OC 1705548137 XHGFOKZEAOHVNY-DLBZAZTESA-N 430.578 2.431 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705567958 DNLZYENQKWIQNI-ZDUSSCGKSA-N 446.426 2.185 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1705644930 GVGRRONMQIJREQ-KRWDZBQOSA-N 439.560 2.448 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705732553 CSWIDMMRHTXDLK-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1705844205 XTFSBEFBLFLFJK-HOTGVXAUSA-N 447.552 2.449 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccccc2)CC1 1705846359 BOKGEZVQJJQUSN-UHFFFAOYSA-N 437.592 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1705900324 YVJLFDVEBZJZOF-UHFFFAOYSA-N 433.516 2.394 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)C1 1705904563 RTXVCEYVDBECCG-AVRDEDQJSA-N 427.505 2.098 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1705920675 CCTLSUVULWBLNS-IBGZPJMESA-N 429.484 2.140 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(C)(OC)C1 1705934437 MNNOJCXGETUPBZ-UHFFFAOYSA-N 443.529 2.426 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1706075183 KOFAHEYQMOQDQU-QAPCUYQASA-N 429.546 2.149 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)N(C)C 1706809281 NSILRMBPTYEJEB-IEBWSBKVSA-N 434.548 2.406 30 10 IEEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)s1 1707845386 RCCMGPDMSGYLOA-HNAYVOBHSA-N 449.606 2.103 30 10 IEEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCCC1 1708884486 GUAOWKKBRYSUPX-IAGOWNOFSA-N 438.598 2.177 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCn2cc([C@@H]3CCOC3)cn2)CCOC1 1710416896 NUNMZVMMFZEQTO-JBYIUTFZSA-N 443.552 2.069 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1711520861 FOBZJFDOJCEERH-QGZVFWFLSA-N 440.548 2.458 30 10 IEEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1712385787 PPFKJEKHVDXUJK-IBGZPJMESA-N 429.546 2.257 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(C)(C)C)nc1 1712567148 SFWZZIKNNJORKA-FUHWJXTLSA-N 444.536 2.351 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cnnn2)C1 1712875603 PYKVPHFRIWIPKN-SFHVURJKSA-N 433.398 2.065 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(-c4cccnc4)n3CCOCCCO)CCO2)c1 1712878248 BBYWLVXTKNSYAB-OAQYLSRUSA-N 434.500 2.189 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1712882502 HXKVJMBIVYOZBL-UHFFFAOYSA-N 440.939 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)[C@@H](C)CCC 1722278464 DOCCQERIEVRYAD-DLBZAZTESA-N 445.589 2.359 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360494 IDWQHUABFMMGNZ-PGRDOPGGSA-N 443.573 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(NC(C)=O)c2)CC1 1722446481 XTERXZNHRIXPGQ-UHFFFAOYSA-N 445.527 2.246 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722455923 YAYLPMUPVXDUDQ-IAGOWNOFSA-N 441.557 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1722471942 WXCSWOVEHHZFEF-HNAYVOBHSA-N 446.353 2.271 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722493381 JJKSDTIKJYSATL-CTNGQTDRSA-N 445.589 2.469 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1722509259 MMHBREQPCVSGLI-RXVVDRJESA-N 439.564 2.097 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccsc2)CC1 1722560070 PFTHLKOCDHSKTD-RDTXWAMCSA-N 425.580 2.014 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1722688333 BSLKSGSYWYNGLW-WMZHIEFXSA-N 425.533 2.118 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCCO2)cc1 1722704761 NWTSFEJEJBBCEW-UYAOXDASSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC 1722728186 RLMVLLMDBUXPFO-UHFFFAOYSA-N 444.561 2.293 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCCCCO 1723620237 BRXPBBDUYLQTJV-FQEVSTJZSA-N 440.548 2.419 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1723676318 IDAGWJIKGAHALV-XMSQKQJNSA-N 433.553 2.254 30 10 IEEE Cc1csc([C@@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)n1 1725040144 NVLMIDRAFJACPR-BQASMSSTSA-N 427.534 2.262 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740634820 FZEOSQBHXJGNJD-HSZRJFAPSA-N 426.524 2.028 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1740639301 ACVZGSCKEQGMEC-YQVWRLOYSA-N 438.553 2.186 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740756660 QJKVZERPHODUEX-HLIPFELVSA-N 441.532 2.255 30 10 IEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1740776475 RIBNTRKBNLIBPM-UHFFFAOYSA-N 449.607 2.222 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1740857852 DFKHOPACFCEDPL-KRWDZBQOSA-N 448.593 2.277 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740984252 YRBLEASLNAMBOY-VEGAHXMMSA-N 440.548 2.319 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1c(F)cc(F)c(F)c1F 1741658137 PCSQXAGRSJZKTH-GOSISDBHSA-N 428.365 2.463 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@H](C)C1 1748685386 YXLOCCATDSOTQH-ZWKOTPCHSA-N 444.605 2.228 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1748829725 IGHDOCHVMSIHOX-FDDCHVKYSA-N 445.564 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1nc(C(C)(C)C)cs1 1748968960 OXULAOVFKZJGPH-UHFFFAOYSA-N 444.605 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)CC1 1749009439 IVFOZDICDAXKLV-SFHVURJKSA-N 443.498 2.464 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749038226 IVSULYWAWJHENV-QGZVFWFLSA-N 430.553 2.399 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1749054628 WQSUJZUSQVOAJY-HBGVWJBISA-N 437.610 2.212 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)Cc1ccccc1 1749063660 BCIGOVYKRATMCM-JOCHJYFZSA-N 438.557 2.286 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@H]1CC 1749133403 LLYBYIVJMKFGLD-SUMDDJOVSA-N 430.578 2.330 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749269841 XRXVFDYSJSBOOS-CVEARBPZSA-N 431.990 2.032 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NCC)CC1 1749448905 DYNMSNWVBGWXNW-UHFFFAOYSA-N 433.944 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC(C)C)CC1 1749655207 DZBQKBMRICJNQI-UHFFFAOYSA-N 446.983 2.448 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCCC)C1 1749695391 BIHNJERYGDSBFL-AWEZNQCLSA-N 437.342 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(Cc2ccccc2)CC1 1749731350 BUUQUCLFLCQSRH-UHFFFAOYSA-N 429.590 2.469 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1750034855 VPZPVYUVFSKELU-GUYCJALGSA-N 436.438 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)N(C)C 1760104344 XAMBPYDBHWVTSI-GJZGRUSLSA-N 435.619 2.481 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760237070 UNTLJVJWYAGCGK-QHCPKHFHSA-N 430.556 2.338 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@]2(O)CCc3ccccc32)n1 1760251542 BVVQBTHJBFJYIT-DEOSSOPVSA-N 434.544 2.157 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C(=O)OC)C1 1760313203 KOXLPSIXFMTOHE-RYRKJORJSA-N 433.553 2.177 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760449335 HNGMGGHAXHQWJG-CABCVRRESA-N 431.459 2.370 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1760449397 INGLOXHMIMFVTR-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1)C1CC1 1760472568 AQMBOEBAWHTCPH-OAHLLOKOSA-N 425.480 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCOCC1 1760515084 KJXSOUHQDMCBII-UHFFFAOYSA-N 437.342 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1760519056 QFURDKWRGLIJBA-UHFFFAOYSA-N 425.493 2.398 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 1760535601 UHWZZZIBBGMWSA-KRWDZBQOSA-N 430.553 2.438 30 10 IEEE CC(C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1760892445 XKOSISUMAHULJQ-ZZEZOPTASA-N 444.536 2.050 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1761360487 NVIKHMXMUSEERA-HNNXBMFYSA-N 441.561 2.046 30 10 IEEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1762385921 FQOBPJLRWOMZAJ-KRWDZBQOSA-N 445.568 2.444 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccsc2)n1CC(C)(C)O 1763044543 QKNNLTXEBFJGKI-OAHLLOKOSA-N 438.561 2.078 30 10 IEEE CNC(=O)c1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)c1 1767635552 BFHPAVBXBPYCFW-INIZCTEOSA-N 446.515 2.124 30 10 IEEE COC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767982934 FEJQIQLRWYGCQH-UHFFFAOYSA-N 436.520 2.100 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(C#N)CC1 1768293324 AXMVAHCCSMSIPV-UHFFFAOYSA-N 437.957 2.063 30 10 IEEE COCc1ccc([C@H]2CCCN2c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1770847275 UMGFQXJHPYAAIQ-DVSFIDLUSA-N 426.477 2.194 30 10 IEEE O=C1Nc2c(OS(=O)(=O)O)cc(Cl)cc2[C@@](C#CC2(O)CC2)(C(F)(F)F)O1 1848435140 XZBHQAQGPVCRMC-ZDUSSCGKSA-N 427.740 2.370 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H]3CC(=O)N(c4cnn(C)c4)C3)ccc21 1851052323 QWFAYARPXBMCFK-HNNXBMFYSA-N 437.500 2.349 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1=O 1855266150 UOFWUFHDOYHCAK-CQSZACIVSA-N 443.447 2.395 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@H]1C 1857184064 WEAOGNIKFDOBRB-CYBMUJFWSA-N 447.900 2.282 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)cc1 1862735073 BHKAGHZGHCETSA-SFHVURJKSA-N 425.397 2.015 30 10 IEEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1866340254 MXXOOGKORRKTEO-LLVKDONJSA-N 427.258 2.322 30 10 IEEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCC(CO)CC2)cc1=O 1870563766 OIGIZIWQZUOFAQ-QFIPXVFZSA-N 430.932 2.452 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(O)c2)cc1 1874302671 KWDPJBTZSUKUJB-FSJBWODESA-N 441.513 2.441 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccn1 1874431124 FFSLPBUBGLKJBM-AUEPDCJTSA-N 427.465 2.061 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(C)cc3OC)CC2)CC1 1890308810 VESUNHDUIPMPAC-UHFFFAOYSA-N 443.588 2.031 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H](C)C(=O)NC(C)C)CC3)n[nH]2)c1C 1890526781 RSSIPCHYFRGBGB-SFHVURJKSA-N 441.580 2.137 30 10 IEEE C#CCN(CC(=O)Nc1ncc(I)c(C)n1)C(=O)OC(C)(C)C 1988515166 ZRFFZMKYYIMHJB-UHFFFAOYSA-N 430.246 2.198 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1991984393 SWGABYXNXMAXNK-CABCVRRESA-N 425.526 2.086 30 10 IEEE CC(=O)Nc1cccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2[C@@H]2COC(C)(C)O2)c1 2033814370 RWXMRFUNGPVHNH-DZGCQCFKSA-N 444.469 2.058 30 10 IEEE C=C(CS(=O)(=O)N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243416519 KOBBIPJKYVQAFS-AWEZNQCLSA-N 430.376 2.349 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435261 NVNMQCFKOBZLAS-HNNXBMFYSA-N 430.376 2.493 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248404431 KHTUXSHAMGGZTL-JOCQHMNTSA-N 437.371 2.362 30 10 IEEE CC(C)(C)OC(=O)NC1CC(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248404432 KHTUXSHAMGGZTL-UHFFFAOYSA-N 437.371 2.362 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H]1CO 2254804681 ZVOILTKYPCIKSJ-RDJZCZTQSA-N 433.358 2.093 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2n[nH]c(CN(C)C(=O)OC(C)(C)C)n2)C1 2255147409 CHOUOONHVUNIHH-UHFFFAOYSA-N 448.524 2.417 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@H]2C1 2255709668 ZFTHWGFWFOAMIJ-QKDCVEJESA-N 432.326 2.422 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255827503 XZMCNMCNFCKZIL-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)C2 2255853943 WPXHSJWPNWETSN-MFKICJERSA-N 434.342 2.030 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256598062 MNUUDEBRAGNFPX-CQSZACIVSA-N 449.382 2.482 30 10 IEEE Cn1cc(C(=O)NCCCOCCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267128113 WAVJHFQMQNHXEN-UHFFFAOYSA-N 443.353 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC2)C1 2267134574 RIFAHLPJNPPGSG-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267177282 LSKFGHFGKOCNPL-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527449 HPIPYJBQJDVDRA-UHFFFAOYSA-N 448.373 2.111 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267554833 FZCNASWBBNCFDZ-LJQANCHMSA-N 439.365 2.125 30 10 IEEE C[C@H]1COC[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N1C(=O)OC(C)(C)C 2268645548 FUZIGTWRVCLFDA-LSDHHAIUSA-N 447.341 2.344 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273792711 RGDGBXLEBFXHAV-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@](O)(CNC(=O)OC(C)(C)C)COC 2278792826 FFGFZEBLGPASLS-VQIMIIECSA-N 427.339 2.291 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)nc2)OC1(C)C 2282185957 NUCBHXMVWFPZOB-VXKWHMMOSA-N 449.360 2.106 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CN(C)CCN2Cc2ccccc2)[nH]1 2337025756 MAUCQACSLVWYEM-JOCHJYFZSA-N 436.409 2.339 30 10 IEEE N#Cc1c(CCCNC(=O)NC[C@H]2COc3ccccc3O2)nn(-c2ccccc2)c1N 31047543 PULLJCXOTXYUGE-KRWDZBQOSA-N 432.484 2.398 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1 72472376 CNSXHZYHQPJZIS-YJBOKZPZSA-N 429.436 2.377 30 10 IEEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccsc3)c2=O)=C(C#N)[C@@H]1c1ccsc1 254645558 OTAXFTAHIYIILJ-HNNXBMFYSA-N 441.559 2.024 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 427123999 MUYFWKXMJLZRTI-UHFFFAOYSA-N 438.531 2.102 30 10 IEEE CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 428378123 HTEFXBHQMCFYFN-INIZCTEOSA-N 438.303 2.168 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC1 443319443 KKGDLRSSFGTGLW-LADRWXRNSA-N 427.505 2.372 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)C2)cc1 461739632 XTFUBRXDGNISQX-UHFFFAOYSA-N 425.510 2.249 30 10 IEEE CN(C)CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCS(=O)(=O)C1 467638900 GQHGPAVOOHGLQB-IBGZPJMESA-N 442.541 2.327 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccc(F)cc3)c2=O)o1 478750601 ZYQISKVJDKXEFJ-HNNXBMFYSA-N 438.480 2.438 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC(C)C 491720237 MPDKFOGLNQMIPC-UHFFFAOYSA-N 438.578 2.289 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)CC1 503625837 DZLOUOJILDRYLL-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 505142392 LJJRWJKZNLFJOO-HNNXBMFYSA-N 431.489 2.434 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 508467570 YOTPOJNGHBJWFQ-UHFFFAOYSA-N 445.589 2.480 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)C4CCCCC4)CC3)C2=O)cc1 508634621 FKZXPFYJDMPSPN-OAQYLSRUSA-N 437.544 2.488 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 515009986 FIEOBCKAHWYWNB-NRFANRHFSA-N 436.560 2.275 30 10 IEEE Cc1c(Cl)cccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C)c1=O 522109292 DXWJIYXPSVUEPA-UHFFFAOYSA-N 438.940 2.467 30 10 IEEE N#Cc1cccnc1N1CCN(CCCCCN2CCN(c3ncccc3C#N)CC2)CC1 533223575 SIUHTCCYMVUXMK-UHFFFAOYSA-N 444.587 2.334 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)c1 548526902 ORRNVIIIJDAZGQ-IBGZPJMESA-N 445.472 2.197 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 555244429 LGZGPWKRUFBTIR-LJQANCHMSA-N 431.562 2.439 30 10 IEEE CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 555362634 YXWGOEAFAXJKNY-MRXNPFEDSA-N 446.577 2.464 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)C1=O 561999573 NICPRYYZGXINMI-MSOLQXFVSA-N 447.557 2.284 30 10 IEEE COc1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)ccc1C#N 569630260 LLIULVZCFJOHBW-UHFFFAOYSA-N 427.404 2.337 30 10 IEEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C)c1=O 569726426 WIJQTDBLEGYFPV-UHFFFAOYSA-N 435.343 2.336 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3cscc3C#N)cc2)CC1 573820797 XVPNIBBBYXZXDH-UHFFFAOYSA-N 426.542 2.135 30 10 IEEE C=CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(F)(F)Oc1ccccc1 575909425 FDYKRNHKBUJBAR-UHFFFAOYSA-N 427.477 2.064 30 10 IEEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 610377379 KHVRDCDAJJNZKE-UHFFFAOYSA-N 439.491 2.103 30 10 IEEE COC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 610829324 OACXSRVVBPQWTB-LJQANCHMSA-N 443.525 2.467 30 10 IEEE C#CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCS(=O)(=O)C1 729332378 OMZTXHPWSKGYPG-MRXNPFEDSA-N 434.539 2.019 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729668856 FUBUOQGAVGIWKF-UHFFFAOYSA-N 427.489 2.034 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729672741 FVLXYMJYYQQLDJ-UHFFFAOYSA-N 449.923 2.323 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 730406460 VEWNABCIPIEFMQ-UHFFFAOYSA-N 426.903 2.053 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCOC[C@@H]2CCOC2)C1=O)NC1CC1 731559139 BUYKMQJVFGMUSE-RDTXWAMCSA-N 435.521 2.479 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 749519538 QWXBOEGRYGDGJF-WBVHZDCISA-N 449.573 2.474 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C(C)C)CC2)cn1 753361975 ZLDTWRIEQJDJHT-QGZVFWFLSA-N 434.610 2.339 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC)c(OCC)c2)c1=O 758074429 ADENVONUXVWKIX-UHFFFAOYSA-N 436.533 2.213 30 10 IEEE N#Cc1cccc(OCCCOC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 763947148 JKYYGHWUIZDGEL-QFIPXVFZSA-N 433.464 2.346 30 10 IEEE CN(c1nc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cs1)C1CC1 769068085 RNFFWEOVCLOCKS-UHFFFAOYSA-N 434.543 2.304 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 774211013 UOFBZXJYYQXQCV-ITQYTPKQSA-N 432.542 2.097 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)CC1 778331768 RORLVDSMAQSSKQ-UHFFFAOYSA-N 442.560 2.434 30 10 IEEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 779188887 BCHMNBPMSZVVCO-UHFFFAOYSA-N 425.514 2.344 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 780206923 WEFYWJKFRPXPPZ-JOCHJYFZSA-N 436.464 2.492 30 10 IEEE C#CCNC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nc1 786811833 OBGYWULFGPKKCT-UHFFFAOYSA-N 447.322 2.479 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(OCC)c1 792746884 NYDDFOMMFAXIPO-PKOBYXMFSA-N 430.574 2.497 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 795968392 JPHARGXQGOORJV-HXUWFJFHSA-N 428.533 2.401 30 10 IEEE Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 797724192 FJJBWICKYWCTKU-DMEQXSTQSA-N 428.489 2.203 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2(SC)CCN(C)CC2)C1=O 809941632 FCDNVSFELHHZAE-QGZVFWFLSA-N 445.614 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 810100640 OTNOAEPLJFVWRM-INIZCTEOSA-N 433.484 2.277 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3c3ccccc3)n2CCOC)CC1 812089992 FBAORMIPCANILK-SFTDATJTSA-N 437.544 2.136 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 812179429 NWEKPWHDJHTPMQ-WMZOPIPTSA-N 448.568 2.220 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)n1 856713468 RUDZCPUAIFXVQH-QHCPKHFHSA-N 441.507 2.455 30 10 IEEE Cc1cccc(C)c1NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084170740 XSMZJRIZCQJURA-UHFFFAOYSA-N 442.549 2.404 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1F 1084506162 XRARZBHMNJKUHK-UHFFFAOYSA-N 446.512 2.235 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1 1125202093 CKDSWGZGHHNLDH-LNUHTHKGSA-N 427.486 2.026 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)c(OC)c1 1134300966 GQVQCCLPNGAXTK-LJQANCHMSA-N 428.485 2.173 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)ccc2c1=O 1141493592 GHRQKVOMOIWWBP-KOEDOTQGSA-N 443.447 2.445 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1149251467 UMEMMALLBGQURG-MOPGFXCFSA-N 445.516 2.232 30 10 IEEE N#CCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 1163196217 MDEWGQBIXNSSEI-UHFFFAOYSA-N 436.331 2.500 30 10 IEEE C#C[C@@](C)(CC)NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1170451074 HCFCRDJWDMLOPD-RKPWUKJMSA-N 445.566 2.124 30 10 IEEE COc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 1265616449 FFRFECXXAAJLAD-OKILXGFUSA-N 431.518 2.219 30 10 IEEE C#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 1277113730 HBBQPRKDXMTXTK-UHFFFAOYSA-N 432.542 2.120 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286354195 HQLXWVLBBDZTLB-UHFFFAOYSA-N 442.589 2.122 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286358115 HSKYUXGPEIOGCQ-KZNAEPCWSA-N 442.564 2.083 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC1CCOCC1 1286410769 WEILBPYMVVJFRV-QFIPXVFZSA-N 436.512 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1c(F)cccc1OC(F)F 1286416338 QDXFSRHRIYNQPI-UHFFFAOYSA-N 431.418 2.262 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC(C)C)CC1 1286483318 GPPLIRQICYYCBP-UHFFFAOYSA-N 433.560 2.020 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2)C1 1286542856 DCSKTLRPQGCXNM-INIZCTEOSA-N 437.386 2.374 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286599681 ZLXQEWRDZFTEDI-URXFXBBRSA-N 446.640 2.500 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286640893 OULDHRDHOMBQOH-UHFFFAOYSA-N 432.546 2.050 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(=O)NC(C)C 1286782594 ZHBUVZOFOINVTH-OAHLLOKOSA-N 444.605 2.394 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1286786828 JFTUHDQIPNKYTF-UHFFFAOYSA-N 449.559 2.367 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C1CC1 1288614219 BOFIXISYYUDRSI-INIZCTEOSA-N 442.589 2.313 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccncc1Cl 1288841618 RFVVXIJQHZMHEG-ACJLOTCBSA-N 437.957 2.115 30 10 IEEE NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1cccc(C#Cc2ccccn2)c1 1290506207 SGLHNWAHVKAGRX-OAQYLSRUSA-N 430.439 2.233 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C(=O)c4ccccc4)c[nH]3)CC2)cc1 1290637467 RAJCRLSCSCBURR-UHFFFAOYSA-N 448.504 2.264 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@H](C(F)(F)F)O1 1291224832 GBJXRJZBTOMYTC-IAOVAPTHSA-N 437.422 2.388 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)N1CCOCC1 1292083405 DVPVQBYLSGWALN-JTSKRJEESA-N 431.585 2.047 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCSC1 1293068047 ABIBDGJMYRDBOO-JOCHJYFZSA-N 426.590 2.292 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1297418667 CXOMTTYDQGWHQP-HLAWJBBLSA-N 441.532 2.131 30 10 IEEE CC(C)c1nc([C@@H](CO)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cs1 1300078127 DSZOPPDTLYOWCC-JKSUJKDBSA-N 441.513 2.193 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nccnc1C 1300471743 NBYDXIXSTBRCEA-UHFFFAOYSA-N 444.587 2.053 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300497767 DEXOFSHWKZFZRW-QUCCMNQESA-N 448.564 2.306 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300506223 PQHQCSOBCRMOLF-XUVXKRRUSA-N 449.621 2.021 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300742492 KMSXOOIHOLQVKW-HOTGVXAUSA-N 431.587 2.441 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1300896379 DVCGBWFGDXZFPR-ISHFTEKXSA-N 447.580 2.016 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(C)C)CC1 1301514833 NKVFFJWBFCKILK-UHFFFAOYSA-N 430.528 2.076 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCC1(F)F 1301808895 HOKTUKURWDDWCW-HZPDHXFCSA-N 445.536 2.372 30 10 IEEE Cc1ccccc1Cc1nnc(Nc2ccn(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1304559009 CYPCZLXPKFLRJX-MRCUWXFGSA-N 432.488 2.181 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1OC 1315403430 SKMVNUIBPRZUQI-IIBYNOLFSA-N 431.468 2.210 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(=O)COC)CC1 1358934892 PXWJHZAORDOSFP-UHFFFAOYSA-N 425.533 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(N(C)C)CCCC2)CC1 1359046513 UVWGXCFFIHWULZ-UHFFFAOYSA-N 449.603 2.104 30 10 IEEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359198868 CYIXLBHLQFGLMW-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1359230487 VOTDQFSFKXWZIW-FQEVSTJZSA-N 447.543 2.449 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359291397 OTKBQKPGLWSTTG-OKILXGFUSA-N 426.512 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359330469 SOKAGHAHYDEAET-LJQANCHMSA-N 440.573 2.031 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCO2 1359465364 AIMJKBQWOBMUHJ-OAHLLOKOSA-N 433.472 2.341 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359465907 NNQSIHWERBPQKM-JLHGSKIFSA-N 439.520 2.249 30 10 IEEE C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1446653093 YVKIFFPJULMPIA-LSDHHAIUSA-N 437.518 2.340 30 10 IEEE N#Cc1c(F)cc(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1F 1448190711 YEFLRTOXMZLJMG-DASIIQCKSA-N 438.434 2.256 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)c(=O)c1C#N 1457780164 OSTKRLWMENPETO-DZGCQCFKSA-N 430.258 2.474 30 10 IEEE Cn1cc(C2=NC[C@@H](CN3CCN([C@H](C#N)c4ccc(Br)cc4)CC3)O2)cn1 1459895592 IZODPRRFJVZRHE-RBUKOAKNSA-N 443.349 2.210 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)cc1 1464944310 FPSKIYZHOJLPLG-UHFFFAOYSA-N 431.496 2.236 30 10 IEEE C=CCOC[C@@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC 1467515539 RSMXPUARZGZLTM-OAQYLSRUSA-N 438.480 2.386 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 1471338514 ZONOFFMEDJHECT-SFHVURJKSA-N 433.350 2.014 30 10 IEEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 1471796354 BPZSNWYOVBYBOB-JOCHJYFZSA-N 443.507 2.328 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2(c3ncccn3)CCOCC2)C1 1472013443 LTBODMUAHSHRDW-UHFFFAOYSA-N 442.317 2.369 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1477815155 AKJQEJDVBXCUMM-MRXNPFEDSA-N 430.530 2.074 30 10 IEEE CCCCN1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1500543794 DRINAIHQEHNEOP-BURNTYAHSA-N 446.596 2.385 30 10 IEEE COCC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504757046 OTQSFTAXCZPYTG-QFIPXVFZSA-N 428.537 2.189 30 10 IEEE COCC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1504757170 POBLCJNEPMPFSR-QHCPKHFHSA-N 441.580 2.247 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)(F)F)C1 1505315466 QWFFXEZKVMBRKN-KRWDZBQOSA-N 446.355 2.268 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1507561215 OPIYVXZIHOPVJH-FQEVSTJZSA-N 436.560 2.364 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1507589894 ABHUWRSSZZHGDT-IAGOWNOFSA-N 430.553 2.118 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCCCC1=O 1507602541 CNCPSNFMGCFUGV-UHFFFAOYSA-N 441.532 2.443 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCn2ccnc2C1 1507645592 HCDIAULMLYCCHS-GOSISDBHSA-N 430.512 2.494 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1507654379 DHVNSGLIVNFEEH-GOSISDBHSA-N 425.920 2.498 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507656048 FASKPCMLPZCMGN-UGKGYDQZSA-N 425.558 2.435 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1C1CCCCC1 1507712732 NKYOAHYEZCJMNB-WOJBJXKFSA-N 428.581 2.112 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1507764971 PTGLFPZBKCLMJW-KWLPKCRUSA-N 437.610 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507797552 DMYDEJTYMYTDAV-AOIWGVFYSA-N 431.562 2.253 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1507807375 VKNAEWAMNVMQDX-GHTZIAJQSA-N 442.539 2.451 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507869604 WMQJTRQSQOOITQ-IBGZPJMESA-N 434.953 2.497 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC)C1)S(C)(=O)=O 1515706095 HCZJSWLPAPBWKD-IBGZPJMESA-N 446.577 2.104 30 10 IEEE N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(I)cc1-n1cnnn1 1525149677 RCKBUFNHXHDPDA-UHFFFAOYSA-N 442.220 2.341 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C2CC2)n1 1528154660 CWFIYAZBPJAGGI-UHFFFAOYSA-N 443.529 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1539211308 HGRYDBMFPHALMW-GOSISDBHSA-N 436.965 2.388 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539221085 NPEDGJSPPJTAEP-MOPGFXCFSA-N 445.589 2.458 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539221536 PMVONBMBBZGAPK-NHCUHLMSSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC)N1CCCC1 1539258305 USIYZDKZMMASHQ-LJQANCHMSA-N 443.555 2.139 30 10 IEEE CC(C)Oc1c[nH]ccc1=NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1539309901 GUWKYIQJURGOFE-UHFFFAOYSA-N 428.514 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2nc(C)c(C)s2)CC1 1539488586 BHACCAXYOJEDFT-GOSISDBHSA-N 442.589 2.411 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCn2nc(C)nc2C1 1539617430 WIRBZKJBEGFYRE-VQIMIIECSA-N 442.568 2.098 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540864935 PIVIHUXOCGOKCD-XJKSGUPXSA-N 439.438 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1540868631 MBGVIJWSLWNAFY-GOSISDBHSA-N 449.559 2.092 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1545690162 PFCFAFCZRSUQGT-MRXNPFEDSA-N 439.564 2.472 30 10 IEEE CCN(CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1547466872 IJEMALAVGZWMMX-UHFFFAOYSA-N 425.537 2.338 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1552919805 GEKNSPYBVBJCEY-MOPGFXCFSA-N 429.546 2.399 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1(C(N)=O)CCOCC1 1554164924 BUPBNMLIEOJSQK-UHFFFAOYSA-N 445.527 2.054 30 10 IEEE Cn1cnnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1554352360 DPGXSAJLHDVOLD-CYBMUJFWSA-N 449.302 2.069 30 10 IEEE CC(C)(C)C#CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1557021234 YVAPPAKSVUBLJR-ROUUACIJSA-N 432.565 2.430 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 1557146869 GKDFIAAWHOPTSY-QGZVFWFLSA-N 429.542 2.416 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(c3ncnn3C)CC2)n(Cc2ccccc2)c1C 1560115232 RQCKQXGCZNVCLU-UHFFFAOYSA-N 447.543 2.076 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c1 1565005305 PJBRLOVWOGEIIC-VCSGRIEYSA-N 430.574 2.178 30 10 IEEE C=CC[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1567456644 BLXAWANUJBEHHC-HOTGVXAUSA-N 435.525 2.478 30 10 IEEE CCCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCc2ncsc2C1 1583612747 DAOXXYYDXSOUFF-INIZCTEOSA-N 432.571 2.479 30 10 IEEE CSc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C#N 1584320632 PDDJVPBNDXKLON-UHFFFAOYSA-N 449.529 2.370 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1587803767 MPERXTLNAMTCAU-SFHVURJKSA-N 433.520 2.389 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1588020367 LANGUMUSYOJTKR-UHFFFAOYSA-N 427.983 2.233 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1nnc2n1CCCCC2 1588240659 ALFZRQWFULPDAK-UHFFFAOYSA-N 434.573 2.463 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)nn(-c2ccccc2)c1C 1588638247 QKOVLQVBJGQTCG-NRFANRHFSA-N 447.543 2.166 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC2(O)CCC2)CC1 1588899593 SPZHVIPRFZCKFH-UHFFFAOYSA-N 437.544 2.225 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)N(C)C)CC1 1594248137 XTTDIQNJJFFYBR-UHFFFAOYSA-N 433.578 2.171 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1596830940 GPCDCCYKVRPBNH-KBPBESRZSA-N 439.488 2.133 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1596848660 AWDXHBXOFHMFMZ-BMGDILEWSA-N 428.541 2.004 30 10 IEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1607956416 NHFZGFAOUFAJKL-RTBURBONSA-N 440.504 2.183 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1611307406 CBCZVKLLOMFDIQ-NVXWUHKLSA-N 434.541 2.170 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CCO2)cc1 1611499965 KDSNSGIWBQKXJG-MSOLQXFVSA-N 431.539 2.373 30 10 IEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)[C@H]1C 1613041320 XSARYTQDNKSLHI-IRXDYDNUSA-N 431.562 2.458 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@H](C#N)C2)C1 1614801220 DACMKNUCLGXAPA-DYESRHJHSA-N 440.548 2.423 30 10 IEEE COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc1OC 1619261909 QRDMOWGFHWIVBQ-KRWDZBQOSA-N 436.472 2.396 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1620324828 GNZLNTDYHZORTI-FUFIUMIBSA-N 444.536 2.050 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CC1 1620353837 TXUHQGOYFXBSPZ-CQSZACIVSA-N 430.310 2.175 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](O)COc1ccc(F)c(F)c1 1621832113 FWPAVRMTJBFKBE-LBPRGKRZSA-N 447.257 2.317 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)nc(CO)n3C)c1 1625970157 SGQSSWVYIHZNPV-LYBHJNIJSA-N 441.513 2.131 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)c1 1626437482 STJIRAQFVMWNKP-UHFFFAOYSA-N 438.440 2.444 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)COCc2nccn2C)c1 1630497790 BHKSHPUOHCRKLL-NKFKGCMQSA-N 433.534 2.168 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1cc(F)c(C#N)c(F)c1)c1ccc(S(C)(=O)=O)cc1 1634151982 YEUKTFXQYOXWLF-HXUWFJFHSA-N 436.436 2.448 30 10 IEEE C=CCCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C(=O)OC 1634884301 HBGPDXQNAHESOF-ZDUSSCGKSA-N 432.589 2.113 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)C(=O)/C=C/c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 1635243164 MWLPULQHECABTM-MNTLFOFUSA-N 447.484 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1636782004 CQXGCAKZCFHFNA-HTAPYJJXSA-N 429.521 2.064 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)CC1 1637908653 DINCHZYVYWUHKX-UHFFFAOYSA-N 426.480 2.492 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1 1642692636 OPNAGVHOFZJNEF-PMACEKPBSA-N 439.537 2.128 30 10 IEEE COC(=O)C1([C@@]2(O)CCCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)CCC1 1645552134 QWOUKKQMRNPJBC-XMMPIXPASA-N 441.528 2.410 30 10 IEEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1645772201 UCBVETGBZAWTAK-UHFFFAOYSA-N 434.558 2.220 30 10 IEEE Cc1onc(CC(=O)N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1C#N 1651998501 GPUZOQUQTQCHLY-ROUUACIJSA-N 443.548 2.472 30 10 IEEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1652328376 IFTAQQUDFRENMB-AWEZNQCLSA-N 433.921 2.231 30 10 IEEE CCc1ncc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 1655930312 GEKYXORGPQQDDH-UHFFFAOYSA-N 428.543 2.478 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@@H](C(=O)OC)c2ccccc2)c(C#N)cn1CCOC 1676108810 HWBZTCBYZVNOON-QGZVFWFLSA-N 442.472 2.261 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1689949016 NOVCUBYARPYQRX-IBGZPJMESA-N 429.487 2.274 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1689979902 IXIPSGQYURVSQL-AWEZNQCLSA-N 436.607 2.226 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1689996543 JOLPCEZAJIVLRY-IBGZPJMESA-N 448.614 2.353 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(OC)C1CC1 1690043836 PVRLGRYCBRPRHG-RUZDIDTESA-N 444.539 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCN(C)C1 1690096559 VOJUKEBRAAMGJV-HXOBKFHXSA-N 443.617 2.284 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(OCC(N)=O)CC1 1690177584 ZUQKKMSXIWTBPK-UHFFFAOYSA-N 427.574 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(F)(F)C1 1690729322 LZBRPLHTDFRDGO-UHFFFAOYSA-N 442.488 2.312 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690731241 FGBODCZMFDTMGC-UHFFFAOYSA-N 446.621 2.272 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCO[C@H](C)C1 1693843275 TZPQBIUETKEKHI-QGZVFWFLSA-N 439.564 2.437 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1695443774 JYEMIVAHOBVELZ-GOSISDBHSA-N 426.521 2.116 30 10 IEEE CO[C@@H](CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1697135425 JAQLBCCFFOKHNI-GUYCJALGSA-N 444.389 2.415 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705568940 AZHIAEODLGEZRX-QRQLOZEOSA-N 448.614 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CN(C)C1=O 1705575745 VTNIASUPOWPITH-HXUWFJFHSA-N 444.308 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CN(C)C1=O 1705577812 UUOJWAJGBYCNNH-GOSISDBHSA-N 432.347 2.320 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)CC=C 1705592172 RGTYWKPPBFCHNN-UHFFFAOYSA-N 448.552 2.399 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2csc([C@H](C)OC)n2)CC1 1705640996 MMQCQFMUJZJVGH-KRWDZBQOSA-N 437.573 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)NC(C)(C)C)CC1 1705648176 PQHRMONPZBIFNQ-UHFFFAOYSA-N 428.581 2.206 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1705827538 ITPJHMLOHAAUDZ-QGZVFWFLSA-N 427.505 2.229 30 10 IEEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1705851282 ALOTZFCSEGLONP-UHFFFAOYSA-N 432.546 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)C1CCC2(CC1)OCCO2 1705899665 BSWMUUWXJLELSW-UHFFFAOYSA-N 441.532 2.378 30 10 IEEE C=CCNC(=O)Cn1c(N2Cc3ccccc3O[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705908076 HDPYNNWPKZCBNW-UZUQRXQVSA-N 441.532 2.020 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705908364 AGBVFVISIMHPGE-QGZVFWFLSA-N 427.505 2.012 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC=CCO2)C1 1705919932 NAKZLRPFEQEIAY-RTBURBONSA-N 444.557 2.475 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1705947030 YEUWSVUHIKDPLT-IAGOWNOFSA-N 443.639 2.013 30 10 IEEE CCCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709607029 IMYPTNILIAYZAP-INIZCTEOSA-N 425.537 2.049 30 10 IEEE CCN(C)C(=O)Cn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1709906511 DGQOTVJPIKHFHO-UHFFFAOYSA-N 427.528 2.292 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cnn(CC)c3)n2Cc2ccc(C#N)o2)CCOC1 1710430996 JWZSYVQEVFAGSA-NRFANRHFSA-N 425.493 2.296 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1722329284 DUSMJGRFGKVQHM-MRXNPFEDSA-N 434.500 2.088 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](OC)C(F)(F)F 1722349890 FUDQPOYGTFAORY-AWEZNQCLSA-N 444.483 2.275 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)(C)O 1722423374 ZVUVKSVKFFNCLP-QGZVFWFLSA-N 434.537 2.120 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCOCc2ccc(OC)cc2)CC1 1722437209 LDWUKECGGSLIRI-NRFANRHFSA-N 439.560 2.153 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1722446314 ROABHYAHBJNUSK-QFIPXVFZSA-N 449.603 2.426 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@@](C)(C(N)=O)C1 1722466058 YKAROSIREAHSKR-JOCHJYFZSA-N 427.574 2.488 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1722469034 SBAXPRUQIZYXCO-TUACAJSNSA-N 445.608 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1 1722494957 TYDVTNIGBXTALU-UXHICEINSA-N 431.581 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1722504967 PVJFCYSYACIUMV-GCJKJVERSA-N 436.516 2.036 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CC1 1722565231 OLDZJQGQRGQJCL-OAHLLOKOSA-N 434.342 2.435 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1722696661 SBKZEMZXAAQQER-SFHVURJKSA-N 447.543 2.298 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1722699878 OCBNKTNGYRCBDC-FQEVSTJZSA-N 426.540 2.375 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)[C@H]1C 1726626309 BRYDIZJQHUPMSZ-IRXDYDNUSA-N 438.532 2.246 30 10 IEEE COCC[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730657836 QTZIZGCHBROVGL-XOMICKMZSA-N 428.537 2.325 30 10 IEEE CS(=O)(=O)CCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1731006266 UEDAUDNYEPMKBT-CEXWTWQISA-N 429.546 2.308 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)c1 1731179900 AVZZHKBBDUDGSQ-UHFFFAOYSA-N 447.465 2.027 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccs2)C1 1731181564 IBYXVEZARPDGFS-FQEVSTJZSA-N 425.493 2.197 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1740540768 YTZMDQVPCYEERS-KRWDZBQOSA-N 438.557 2.291 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1740543086 IRJOHPCWIRGQLK-KRWDZBQOSA-N 425.533 2.285 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740589195 QYUCORHGWUVVSL-OAHLLOKOSA-N 428.493 2.134 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(Cl)cn1 1740601813 JRQGVJJASVHOGH-UHFFFAOYSA-N 446.968 2.166 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2ccco2)CC1 1740700260 MBKGQDOXPXICEN-DRMXPCRNSA-N 441.576 2.453 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740784084 JGISTEASRXFXKZ-UHFFFAOYSA-N 433.516 2.382 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740811282 PSHFSVLWOXXFQP-MRXNPFEDSA-N 433.944 2.440 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740884835 OBKGVLXCRSZSAH-AWEZNQCLSA-N 426.443 2.371 30 10 IEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1741154997 BFXNWGAGOWYPJP-MJGOQNOKSA-N 438.532 2.162 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1741420086 IZELXVSSQMDFFX-BTYIYWSLSA-N 431.516 2.424 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1745888153 BMGFBQOXNRODFE-VQTJNVASSA-N 438.532 2.448 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748643557 WXGYDIHFACDMSX-XFGYDDDFSA-N 433.597 2.276 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748808612 METXQDIIPMCZGT-CQSZACIVSA-N 443.407 2.042 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1748915462 UVHUDATZIFQVGZ-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(F)(F)F)nc1 1748935180 ORLPRGWYWDZUKF-UHFFFAOYSA-N 436.438 2.244 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1749159748 XUHBZORDDGEBKU-IRXDYDNUSA-N 443.614 2.075 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)OC 1749327048 HLHMJXKRILNDGC-NYDSKATKSA-N 441.532 2.252 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCOC1 1749649763 ABGTXOCVJUITEI-GOSISDBHSA-N 440.548 2.312 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C 1749667087 SMUSIWJWRZOJEC-MRXNPFEDSA-N 435.532 2.356 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749749075 GLCYXZJEQPWYKG-LJQANCHMSA-N 431.562 2.214 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@@H]1CCOC1 1750644210 DLNFHHVVYBWXPI-FQEVSTJZSA-N 439.564 2.438 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(N)=O)CCOCC1 1760102828 ROJGPNJOYOVJLS-CQSZACIVSA-N 433.459 2.287 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760119479 ACKVODSLMXUSLC-XUVXKRRUSA-N 435.576 2.474 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1760144169 GQSWUUADWMQEDB-AZUAARDMSA-N 440.596 2.083 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1N1CCOCC1 1760164987 GHXNUKFDOIEDPV-XMMPIXPASA-N 439.560 2.273 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185795 DSUGCODLMYOYJA-KNQAVFIVSA-N 436.622 2.435 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C)n(C)c1=O 1760252621 HKFDLJSBBDHMIU-UHFFFAOYSA-N 439.491 2.138 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760285065 YJCFBPKNMJSBDJ-IBGZPJMESA-N 440.617 2.320 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760440232 FBWGHQUAJUJHFW-ZDUSSCGKSA-N 448.574 2.493 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760505929 SOVKTQHEDJTRNA-KNQAVFIVSA-N 430.553 2.117 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)c2ccccn2)CCOC1 1761291264 JAKLZNZWGXDXGU-WZONZLPQSA-N 440.548 2.420 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCCCCO)o1 1761758845 DAPKLKVVGPRIOS-INIZCTEOSA-N 436.520 2.386 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F 1763200999 DSLXUFDYRVZPPY-GOSISDBHSA-N 435.463 2.145 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1768130438 AAEBSFRPRUXXHL-IEBWSBKVSA-N 440.504 2.041 30 10 IEEE COc1cc2c(cc1Cn1c(CN3CCCC3=O)nnc1N(C)C[C@@H](C)C#N)O[C@@H](C)C2 1768399754 CPTNQIJTDDETTO-HOTGVXAUSA-N 438.532 2.377 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1769474823 ABAIJAPYMMQGSM-GOSISDBHSA-N 440.504 2.044 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@H](C)O1 1769489252 PJCYVNHDUKZLLD-QGTPRVQTSA-N 433.459 2.481 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1769964281 ZUKSWHOEYQYXHP-KKSFZXQISA-N 431.562 2.378 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1771112826 YRTVLVLLHKSFTQ-IBGZPJMESA-N 436.520 2.372 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCOCC2)CCO1 1771535969 FGBFQQXTORIZSG-LJQANCHMSA-N 442.476 2.168 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](c2ccccc2F)N2Cc3ccccc3C2=O)NC1=O 1851550122 ZLHOLLSPUWSUAG-LJQANCHMSA-N 448.454 2.234 30 10 IEEE CS(=O)(=O)N1CCC[C@H](OC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852456895 XDXVFDCAPJBHFC-HNNXBMFYSA-N 442.419 2.344 30 10 IEEE CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1852776644 KAUOVDIDTVVCQB-LJQANCHMSA-N 446.960 2.021 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1C#N 1853208956 ZTLQRSJTCJCSMW-NSHDSACASA-N 435.362 2.346 30 10 IEEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1C 1853606775 WRTMRYZRCBHNBV-QGZVFWFLSA-N 427.553 2.085 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)OC1=O 1856175368 OAQQLNGEQZZSJC-OAHLLOKOSA-N 445.419 2.367 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C2)C1 1857469303 SHJBIKUBZCEZRR-JSGCOSHPSA-N 428.386 2.072 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1860971752 YEVUOBCPRIIUSD-UWJYYQICSA-N 434.496 2.040 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862629186 PYMHOEXSVJAARZ-IBGZPJMESA-N 438.436 2.253 30 10 IEEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCC(Oc2ncccc2C#N)CC1 1891401139 GLFSZKLRIBIMEW-UHFFFAOYSA-N 449.442 2.330 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12C[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532001 HVRSNTFGYOKDTM-KIMHZCHSSA-N 444.341 2.408 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124532006 HWSAFPJFGVEQSK-STQMWFEESA-N 447.345 2.004 30 10 IEEE CN(CCN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243373163 UILJFCPGCZKDPY-UHFFFAOYSA-N 425.360 2.381 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248401987 QKPYMBSCECIGEY-HUUCEWRRSA-N 426.319 2.294 30 10 IEEE Cc1cc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2255826867 DWYQFFDEHUJRGS-SFHVURJKSA-N 430.232 2.170 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256016319 GPGPRDYLZZCGQS-CJNGLKHVSA-N 432.326 2.334 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1 2257494048 IIFDDVNGMRGLNR-UHFFFAOYSA-N 431.342 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267107897 RHSYKOBECYXNBN-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE CC[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267142138 PYXDJTOCEQNBGP-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE Cc1c(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267144896 CAZAFXULGXSYIP-CYBMUJFWSA-N 448.373 2.013 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267178856 IEFNNKUFOLBUJN-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267184331 UJGDQLFEHHQCQU-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267220404 KPFKAUCSOGZBSQ-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2267504839 YOVNBXVGPLDNDW-OALUTQOASA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267596901 RTCVGYSUFHDNPO-UHFFFAOYSA-N 444.341 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CC1 2267801436 FBTIAYIBBVTKDM-UHFFFAOYSA-N 448.325 2.090 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296135804 BMZAYSUMBLYOAK-NRFANRHFSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CO[C@@H]1C2 2312794679 NWWUCAYMGAUCFF-FIXDAVPBSA-N 440.544 2.295 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 2315391260 ZMANYSJXFXWDAM-SJORKVTESA-N 433.358 2.471 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322310228 CEUGOLQODOPYTB-OAQYLSRUSA-N 437.321 2.304 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334264098 ILOPEBXUTOYWMK-HYVNUMGLSA-N 445.369 2.310 30 10 IEEE Cc1cc(C)nc(N/C(=N\C(=S)NC[C@H]2CCCO2)NCCc2ccc(O)cc2)n1 14158953 HJMWFTIBWHYUGO-GOSISDBHSA-N 428.562 2.453 30 10 IEEE Nn1c(N/N=C/c2cccs2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 21317935 NJVYDICLRMOYDP-DJKKODMXSA-N 431.503 2.001 30 10 IEEE C=CCN1CCN(c2ccc3nnc(CCc4nc(-c5ccccc5OC)no4)n3n2)CC1 33279901 UENULTKYHSBUDN-UHFFFAOYSA-N 446.515 2.276 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)/C=C/C(=O)c2ccc(Br)cc2)cc1 96566365 LATBUUCZJAMJKE-MDZDMXLPSA-N 437.315 2.194 30 10 IEEE C#CCN(CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)[C@@H]1CCS(=O)(=O)C1 111047314 MAOFIFLBEUKARM-GOSISDBHSA-N 429.567 2.130 30 10 IEEE COCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccccc1[N+](=O)[O-] 254813494 PFCBOSDQXLMOSM-UHFFFAOYSA-N 441.469 2.359 30 10 IEEE Cc1sc2ncn(CCC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(=O)c2c1C 486020523 USOQMFKGSWDWKV-SFHVURJKSA-N 449.536 2.254 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 508865963 XKEBSOYVOKHBSA-KRWDZBQOSA-N 432.506 2.044 30 10 IEEE Cc1nc(C)c(C#N)c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)n1 514365402 HSNAUTZBRNMNHH-UHFFFAOYSA-N 448.574 2.012 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 533695340 ZNZTWOVSBIIZLG-OAHLLOKOSA-N 425.510 2.055 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1[N+](=O)[O-] 538143892 KEQGNZNUIQSVJK-OAHLLOKOSA-N 443.485 2.244 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1 542350524 WBGMRWCGQDFHDS-LJQANCHMSA-N 443.529 2.205 30 10 IEEE CC(C)(C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1O 544658571 GWHDXSLEEAPILS-WOJBJXKFSA-N 433.574 2.214 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)CC2)n1 545478811 CEXAPZPUUWMUMO-NRFANRHFSA-N 432.528 2.019 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)n1 546897307 ZPMVRSHUMJAJQB-OAHLLOKOSA-N 442.882 2.383 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 553725543 YMCFXXMWZMDZCV-HXUWFJFHSA-N 442.541 2.138 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4)[C@@H]3C)CC2)c1C#N 558609844 JTSWZTDTRVRHFR-APWZRJJASA-N 438.557 2.344 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 563484826 AWDJQKSZVMYLFD-SFHVURJKSA-N 435.536 2.382 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOC2CCCCCC2)CC1 609826254 HWNHIOJSCCRNDP-UHFFFAOYSA-N 434.562 2.314 30 10 IEEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 611836451 HWORZXWXRWTHBE-XCLFUZPHSA-N 441.879 2.239 30 10 IEEE C[C@H](/N=C1\S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1)c1cccs1 730728846 GLIXFYQPEAKQOH-NTGQDFKTSA-N 435.575 2.365 30 10 IEEE C=CC[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 756677385 ZLRMEKOSRGXKLD-QZTJIDSGSA-N 444.557 2.166 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)N2CCN(c3cc(OC)ncn3)CC2)cc1C#N 764676703 DBTYVWZHEWUWIN-UHFFFAOYSA-N 425.449 2.279 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(F)c1 768466565 GVBKYLDCNZLRSE-MDWZMJQESA-N 429.473 2.221 30 10 IEEE C=C(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 777462382 AITQSJWVWHZYBF-SFHVURJKSA-N 431.562 2.221 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)OC)nc1 782817809 SEGMVZQSOSCMAA-HNNXBMFYSA-N 430.486 2.104 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 783770221 LMWSNAGAOODURC-IAGOWNOFSA-N 429.489 2.281 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 796099484 LWIGGVSJXYVXJG-UHFFFAOYSA-N 428.532 2.499 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)ccc1OC 806805131 RKDCJEALEVSGJS-CQSZACIVSA-N 428.411 2.292 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 812263297 QEGPVYHRRLYBSR-RBUKOAKNSA-N 443.548 2.228 30 10 IEEE Cc1ccc(F)cc1NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084048189 HSFYEGXVATUQSW-UHFFFAOYSA-N 446.512 2.235 30 10 IEEE C#CCN(c1nnc(-c2oc3ccccc3c2C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1122097550 QRNRHYAWSBXSBC-INIZCTEOSA-N 428.514 2.273 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1125190350 FGPPDZWWEWVTIK-UHFFFAOYSA-N 425.510 2.087 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1138981010 SLARKLKZJGPKLS-INIZCTEOSA-N 440.363 2.183 30 10 IEEE N#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cc1 1141447259 AXQSDOLXBDSWGT-KRWDZBQOSA-N 437.315 2.139 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1178027053 KIAFZNLVTUUIRA-MRXNPFEDSA-N 445.969 2.258 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1178400612 MAXMKHCPNWRALF-UHFFFAOYSA-N 447.582 2.321 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1194899411 RMTOTSYTOGRBDR-CDMIOBSGSA-N 447.584 2.383 30 10 IEEE C#C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)CC)CC1)c1ccc(Br)cc1 1225979460 OPXMURXCDBVTKU-QGZVFWFLSA-N 442.379 2.484 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286340894 ABBRFRMPZRHEAN-IRXDYDNUSA-N 449.552 2.489 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1286436960 CJFWJSKRZCQVFS-HSZRJFAPSA-N 435.532 2.407 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286447637 QBVXRTQRAXWELF-UHFFFAOYSA-N 426.521 2.017 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N1CCOCC1 1286468672 FHKCGWHHYHGWEO-LJQANCHMSA-N 436.560 2.157 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1286471166 HEPOSZCAZUSDHE-WZONZLPQSA-N 443.523 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCOc2ncccc2F)CC1 1286493231 MGUCJXBVMZLDKE-UHFFFAOYSA-N 442.539 2.446 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cc(C)nn2C)CC1 1286494748 QNPAYMHNSSSJAS-UHFFFAOYSA-N 445.571 2.119 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1286505900 NFWMODKCYJTKQK-INIZCTEOSA-N 433.582 2.010 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1286561783 OVZNIIGYPCQPIS-LAUBAEHRSA-N 440.548 2.100 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286669458 GTXNQQORJDPDPO-KRWDZBQOSA-N 435.536 2.474 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1286759006 YDBWTHFLUVHWIB-LJQANCHMSA-N 449.552 2.285 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C[C@H](C)S1 1291217456 BOFKRFSZWJPEBZ-HOTGVXAUSA-N 438.561 2.321 30 10 IEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cs1 1292700989 DSXRBIJWOXSJIJ-UHFFFAOYSA-N 442.570 2.313 30 10 IEEE C#CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1293513168 BQJPWGFQMFMRGM-GDBMZVCRSA-N 429.336 2.192 30 10 IEEE CNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1298947446 DEPHNDMMSAQBGK-HNNXBMFYSA-N 444.561 2.080 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C(C)C 1300285161 XKMXYMMHMHMXRA-IIBYNOLFSA-N 433.578 2.060 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1300501862 NWQJJTFILNJUMO-STISFXCESA-N 428.558 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1300579597 XFNLPSDJTGVDCE-PCCBWWKXSA-N 445.633 2.011 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1(C)C 1300804204 OCRXGDPSYMTALP-FUHWJXTLSA-N 429.546 2.113 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1301462756 DATSFJUJCBWMJJ-INIZCTEOSA-N 443.621 2.389 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1301499788 GDBRJPINZUQVGH-QGZVFWFLSA-N 427.505 2.230 30 10 IEEE COCCN(CCC#N)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCOC1 1301800311 YFEXDMJIWKIORM-JOCHJYFZSA-N 425.533 2.266 30 10 IEEE CC(C)Cc1nnc(N2CCC=C(Br)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302919894 ZGUFVIQVBPRZAJ-ZCXUNETKSA-N 449.353 2.492 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1304237784 CIFVHXAUNIWIFN-INIZCTEOSA-N 445.593 2.051 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nn(C)cc1I 1353930211 RKFBOWAPMDTAFK-UHFFFAOYSA-N 437.285 2.100 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358959210 DTVRMBFPMCSBMQ-VQTJNVASSA-N 441.601 2.365 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC(O)CC1 1358987596 MFGJSZAYOCNPDV-UHFFFAOYSA-N 436.516 2.163 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCc1ccco1 1358989586 IKKJXDIHNVOWSW-UHFFFAOYSA-N 445.479 2.089 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1359106112 XSTOFJTUTLATCN-VGSWGCGISA-N 441.532 2.125 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncn(C)n1)C1CC1 1359247611 IYFUCNKJYXNKPS-UHFFFAOYSA-N 425.493 2.303 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1359300132 UVIDUNIMQDPRRL-GOSISDBHSA-N 428.493 2.409 30 10 IEEE CC(=O)N1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1359377949 UDLZQQDKPFZXIS-UHFFFAOYSA-N 425.518 2.205 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)C1 1443207867 MXYXNRIRRAWXQD-OAHLLOKOSA-N 439.313 2.448 30 10 IEEE CC(=O)Nc1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1448617732 AZSNBPFJWGWAGO-PSCUFVCCSA-N 427.505 2.443 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)NCc2ccccc2CN2CCCC2=O)c1=O 1459237009 HNHBQNVQYNILNU-UHFFFAOYSA-N 432.402 2.178 30 10 IEEE Cc1c(F)cccc1N(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCO[C@@H]1C 1462108464 GTRMBPLWDLIMCM-RDTXWAMCSA-N 431.489 2.383 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)c1 1464701440 YXBMZFWRNIRHBX-AWEZNQCLSA-N 435.527 2.024 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)c1 1465651822 AFGNFCWRJCCGIV-ZDUSSCGKSA-N 436.486 2.298 30 10 IEEE C#CC[C@]1(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1468184291 ZWILIISQOFUWAQ-KSFYIVLOSA-N 439.553 2.123 30 10 IEEE C[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)NCc1ccccc1 1474874886 AGGFUTCMBLSSOF-NSHDSACASA-N 440.294 2.443 30 10 IEEE CS(=O)(=O)c1c(F)cccc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1476756825 BKXLFWUOXYTMLJ-UHFFFAOYSA-N 433.465 2.320 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1479071162 PMLCTLXIPMRADQ-PKOBYXMFSA-N 427.549 2.100 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1494914506 SREBDIFOTDYVEY-AYSMAOOMSA-N 426.521 2.114 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCO[C@H]2CCOC2)CCO1 1505322318 LUWFPQFFNYAOHX-HOTGVXAUSA-N 433.459 2.071 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507515704 IFCWJEFJWJYHTA-QAETUUGQSA-N 425.599 2.188 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1507561355 VPOLYWXDZKLUQX-KRWDZBQOSA-N 448.527 2.478 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)OC)CC1 1507803850 HIRHSNJUAJKFQI-WDSOQIARSA-N 436.553 2.373 30 10 IEEE C=CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1508168966 VINDBLJYMOGJKB-FGSXEWAUSA-N 449.621 2.200 30 10 IEEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508391172 HAXKCPDXEGZERA-UHFFFAOYSA-N 444.543 2.060 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1508701001 CNOJYXVTVRWPIO-NCXUSEDFSA-N 433.553 2.121 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCOc1ccc(F)cc1 1509693088 HTJGZSLQZUWHSL-GOSISDBHSA-N 430.484 2.143 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)cn1 1510897141 GTQMNWMPNWBZEB-UHFFFAOYSA-N 433.516 2.441 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC(=O)N1 1517364250 URQPWSJQQLHGQX-AUUYWEPGSA-N 446.353 2.455 30 10 IEEE COCCOC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C#N)CC2)CCOCC1 1519343204 CWOIJBMTLKZZOD-IBGZPJMESA-N 433.553 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C(C)(C)c2ccc(C#N)cc2)C1 1537528931 ISTAKXVSHHESMI-GOSISDBHSA-N 449.573 2.376 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1539350141 BVXLONYUSSPMOC-SSEXGKCCSA-N 432.546 2.342 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccsc2Br)CC1 1539445780 FVNQGSBVQBLDBP-UHFFFAOYSA-N 444.362 2.363 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCC[C@@H]2C)CC1 1539461363 DXWGSKZEJKULDF-IBGZPJMESA-N 426.540 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=C)Br)CC1 1539484052 ALXYWEPCDKSXMH-UHFFFAOYSA-N 443.349 2.138 30 10 IEEE CN(C)C(=O)C1CCC(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 1540746792 HXNWINGXFCXOLP-UHFFFAOYSA-N 440.523 2.409 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540857896 VBCPJCVBUISWSY-QFIPXVFZSA-N 430.553 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540868704 ODMAJWHEQAJJOV-XLIONFOSSA-N 435.532 2.294 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1540874461 HLVWLTFBLQCOLV-KRWDZBQOSA-N 433.507 2.314 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(N)=O)c2)C1 1540894980 INGOFEJYBXBCCF-FQEVSTJZSA-N 435.532 2.068 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1540895654 WQJOXZPFJMMKSH-WMZHIEFXSA-N 425.533 2.425 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCOCC2CC2)cc1 1555990608 JGWJPDDZOCWKMR-UHFFFAOYSA-N 429.546 2.114 30 10 IEEE CC(C)(C[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1)C(N)=O 1559847777 AARQWVSUYCLKBP-WIYYLYMNSA-N 443.567 2.148 30 10 IEEE CN(CCN1CC2(CCOCC2)C1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1564601276 JYZHROUTYLLIQQ-UHFFFAOYSA-N 427.549 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCOCC1 1587603833 PHPXILGNVJEQDP-QZTJIDSGSA-N 425.533 2.143 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1587620914 MUAIHZANKMODHY-NLWGTHIKSA-N 442.589 2.311 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1587768070 YWHFCVAKTNIBIA-UHFFFAOYSA-N 439.232 2.296 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CN(CC(C)C)CCO1 1587927078 STRKHVKJHVCXBC-INIZCTEOSA-N 435.370 2.462 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCCC1(C)C 1588627858 AMLAHSQHTONQBF-JOCHJYFZSA-N 429.521 2.033 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)N(C)C)CC1 1588769466 SOPTWXJPXSDOJI-CQSZACIVSA-N 437.411 2.474 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)COC)CC1 1588836069 DNCNPRMMCMLJFC-FQEVSTJZSA-N 425.533 2.218 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1593884111 BUPOWHGTVQUXCJ-MRXNPFEDSA-N 449.914 2.401 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1595442075 AYNJHBHSGQCVFD-QGZVFWFLSA-N 435.525 2.187 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595530234 XQDTYTJMMPKZQY-HSZRJFAPSA-N 436.491 2.188 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1596250949 XVTBLJGCLQBWLF-INIZCTEOSA-N 445.483 2.299 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2ccc(N3CCNC3=O)cc2)c(=O)c1C#N 1611230461 AIDUGIGMGKENAV-UHFFFAOYSA-N 430.262 2.013 30 10 IEEE CN(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1617696318 AQJRTGGIIDHNMC-UHFFFAOYSA-N 446.559 2.422 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1618364184 GWYWNWRFNBTAKT-UHFFFAOYSA-N 433.534 2.188 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1618460612 VJMGSRFKVJHKRX-MJGOQNOKSA-N 429.517 2.089 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)C1 1619722813 BGMDHTJMIMVAPI-SBHAEUEKSA-N 441.532 2.253 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1620044443 ZTGKHEFNNNDQIW-RTWAWAEBSA-N 441.532 2.254 30 10 IEEE Cc1cc(CN2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)on1 1624674016 CLRRVTSIBGTKTA-UHFFFAOYSA-N 444.333 2.398 30 10 IEEE C=CCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1627751206 ABMGNQOSBNYJDV-HNNXBMFYSA-N 447.351 2.084 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1629976700 SVIXMLJIMVDKEJ-UHFFFAOYSA-N 437.525 2.178 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)N[C@H](C)CCC)C2)s1 1631702132 UQLRQMHMPCBNHL-CVEARBPZSA-N 441.619 2.298 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cnc(Br)s2)s1 1636458780 HRVCZLBBTNIVPU-UHFFFAOYSA-N 436.378 2.290 30 10 IEEE CC1(C)O[C@H]2C[C@H](NC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)C[C@H]2O1 1638743091 JIHDWQQNJFTYSI-QIDUDWOJSA-N 442.495 2.380 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cc(C#N)ccc1NC1CC1 1639417619 ADTMJDWUQBXJSP-INIZCTEOSA-N 436.534 2.399 30 10 IEEE CSc1nc2nc(C)c(CC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c(C)n2n1 1641805818 HXJNMMMYJKGMPH-UHFFFAOYSA-N 439.520 2.365 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)[C@@H]1CCC[C@H]1C#N 1642537523 WHWPECCWUVXECC-PKOBYXMFSA-N 447.557 2.399 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 1643269252 UARGIRDVSFUMPZ-CQSZACIVSA-N 441.435 2.283 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 1644025461 GVKCWVDQBCEGIE-DQLDELGASA-N 427.526 2.340 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1 1651874798 HZDFPJUWPBHQMI-NRFANRHFSA-N 427.526 2.232 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1652897477 GIIBLFNVPVRLEW-UHFFFAOYSA-N 435.527 2.108 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1656152394 NPURHWQVTHCOKG-UHFFFAOYSA-N 437.345 2.121 30 10 IEEE C#CCN(C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1675060710 MVDXGNIDTUXLTG-WMLDXEAASA-N 432.373 2.428 30 10 IEEE CSc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1C#N 1680546761 DKUMTSDPENLSKV-UHFFFAOYSA-N 440.497 2.336 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 1683591539 IUJWELKJNWWNGI-QHCPKHFHSA-N 435.528 2.102 30 10 IEEE C#CCN(C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2)[C@H]1CCS(=O)(=O)C1 1684351180 UHJOOYKJPOPGAL-SFTDATJTSA-N 429.586 2.121 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCn1cc(Br)cn1 1689827144 AOEFGJLWHINPFT-KGLIPLIRSA-N 425.331 2.119 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1690189791 BRFMNURTRABEIP-JOCHJYFZSA-N 442.951 2.332 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690481492 HBMSFSPRNVAVGC-CVEARBPZSA-N 427.505 2.266 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1690528244 YMNUKCHMFPHGFU-IEBWSBKVSA-N 433.578 2.427 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCN(C)C1 1690556194 PBBCSENBPMHLRQ-WMZHIEFXSA-N 427.549 2.050 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690673634 YXXVPCQGVHWVFF-SFHVURJKSA-N 437.523 2.113 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)nc2)C1 1690697512 WVYXMNJXWZENFU-MSOLQXFVSA-N 426.521 2.241 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1694129258 PCGXBOGSJDHFRJ-FUHWJXTLSA-N 436.564 2.300 30 10 IEEE CCc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOCCCO)cc1 1694509511 HNESBCYXBHGZFE-UHFFFAOYSA-N 448.527 2.441 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1696495828 HEQXRBUCLZRONP-INIZCTEOSA-N 446.577 2.150 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(F)cc1 1698171693 ZONMOQZGDGJCJA-UZLBHIALSA-N 428.512 2.366 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2CCC2(O)CCOCC2)cc1 1698485664 KUKFRFTYLRNZQY-UHFFFAOYSA-N 425.533 2.490 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705520209 LSBSJEFJLHWHKG-UHFFFAOYSA-N 433.516 2.489 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705891431 FFAXOLRWZXIDIV-UHFFFAOYSA-N 440.577 2.200 30 10 IEEE C=CCn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893299 BJKTWBWLSXBPBK-HSZRJFAPSA-N 425.533 2.140 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCN(C)C2)C1 1705929286 NGRLYMVXEKGNOQ-REWPJTCUSA-N 427.549 2.013 30 10 IEEE CC(C)OCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1706703268 CJGRSXCVAIZQLX-INIZCTEOSA-N 434.566 2.359 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@@H]1C 1708281351 FYLZKMCPODZKIX-HZPDHXFCSA-N 426.546 2.006 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1 1711312031 ABSRWAIVNIXYDK-CQSZACIVSA-N 425.518 2.052 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362076 RPGJLFHUEVTXSL-UYAOXDASSA-N 446.621 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)N(CC)CC 1722380422 LZPXQCYLSQZFTL-UHFFFAOYSA-N 445.527 2.315 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722412719 OSMPEYDGBJBQNF-IBGZPJMESA-N 431.544 2.392 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC[S@@](=O)C(C)(C)C)CC1 1722440138 DDSUCXWSEMVRAV-WJOKGBTCSA-N 443.617 2.202 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CC(OCC)C2)CC1 1722441104 PAVLEOOGVOBWOZ-UHFFFAOYSA-N 425.581 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)CC1 1722444447 YKKZHSXFVPSUFF-NRFANRHFSA-N 434.544 2.454 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F 1722447372 LMMNTSWYAKQMDL-CQSZACIVSA-N 427.452 2.444 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722582818 MHHDACFVYLQNAL-UHFFFAOYSA-N 434.997 2.427 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1722631120 DHUGBZIPEHCGKD-GFCCVEGCSA-N 428.356 2.321 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCS(=O)(=O)CC2)cc1 1722705690 GMCMACGYNZUJKT-GOSISDBHSA-N 432.546 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722725068 DBXCHYQQWRHPQZ-SFHVURJKSA-N 444.605 2.252 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(COC(C)(C)C)on1 1722861242 GPGRBGUGJLAEDC-OAHLLOKOSA-N 429.525 2.461 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1723772258 IXQBMNRYLATRGX-WMLDXEAASA-N 444.561 2.002 30 10 IEEE CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)c1 1728166442 IFJYUHUUADMPQM-MRXNPFEDSA-N 425.537 2.200 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)SC)CCN2C1=O 1728528209 YZHFSCJMQQUOBH-WMLDXEAASA-N 439.545 2.041 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1729284280 PZSIVYUVRYUEFV-IBGZPJMESA-N 428.562 2.301 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1729637480 HTRYIUIAMSVTPU-NTKDMRAZSA-N 449.559 2.038 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2ccsc2)nc1 1740609300 ITJKWANUJXLSJC-KRWDZBQOSA-N 427.555 2.421 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1740619347 HXNLOUCQWYEUPS-KRWDZBQOSA-N 434.949 2.262 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740624098 CLIOBUPNTLTKOA-AVRDEDQJSA-N 448.564 2.042 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1740957735 YXBVVHVRIDAKLL-FQEVSTJZSA-N 434.544 2.424 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)Br)C1 1740970106 DVJOESLQZZULKB-LBPRGKRZSA-N 434.285 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N(CC)CC)CC1 1740989469 NSWINOFJSRZZHW-UHFFFAOYSA-N 434.610 2.195 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@]2(CCSC2)C1 1740990979 LHNYQMQQOZXKFG-APWZRJJASA-N 426.608 2.454 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1744096257 BWFNWKZGFFIHOE-HTAPYJJXSA-N 444.536 2.043 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC 1745285529 FSEDXCIDCPSJCR-PKOBYXMFSA-N 447.561 2.167 30 10 IEEE CCN(CCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1746309005 CXLDNTKLWFNFKV-UHFFFAOYSA-N 446.577 2.365 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1747706342 BXIJZPSROUUUEM-IBGZPJMESA-N 443.573 2.383 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1748731943 OVSFOGQDWMVHPG-MRXNPFEDSA-N 429.546 2.301 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748819788 UFPGHMYABSCXQD-IBGZPJMESA-N 448.564 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[S@](=O)C(C)(C)C)CC1 1749014778 NYBLPMQHSKAXBI-PMERELPUSA-N 435.638 2.380 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1749252562 SGVPYEPLYIKPED-CQSZACIVSA-N 425.896 2.010 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749361172 OYMUSNLLOXXECN-YLJYHZDGSA-N 442.539 2.491 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1749575867 YJIHSHQWBOFLBC-HRAATJIYSA-N 434.537 2.405 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749690582 UKPIMLLOIJNNAC-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749703120 CKNPHKXATCBRCX-QGZVFWFLSA-N 431.562 2.479 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1750099208 KRAZZSGXRNIRDQ-CABCVRRESA-N 428.518 2.035 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1750503732 HFTOZAWVOSXUHZ-GOSISDBHSA-N 441.536 2.298 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1751100841 FUVYRLCSAKGXLC-LBPRGKRZSA-N 426.431 2.293 30 10 IEEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1752429423 HYDBMVJOFULQOP-RLBWVDARSA-N 449.540 2.285 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1760161989 UPCKRPIGTKBCHL-PMACEKPBSA-N 425.533 2.412 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760180533 GYRDGEYMKRDYBH-RTBURBONSA-N 430.574 2.218 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)c(F)c1 1760218118 XXXPPRFTOLGBTG-INIZCTEOSA-N 431.418 2.481 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CC1 1760244694 DGWLLFXKQVUCNB-UHFFFAOYSA-N 435.322 2.327 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760316909 YFVCCAJGSMMEQQ-DYXWJJEUSA-N 432.613 2.419 30 10 IEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1760452389 AUHXXSDCYOLZQU-OALUTQOASA-N 447.580 2.044 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCCC2)C1 1760543073 MPIQTFQOCRNHFR-MSOLQXFVSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1cnn(C)c1 1760551760 QQRHCJCTAIZYED-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCCO[C@@H](C)C1 1760557608 QZBQEPDOHFHCAK-SFHVURJKSA-N 434.562 2.116 30 10 IEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760560987 MGYXGDNEEYEAKY-LJQANCHMSA-N 431.562 2.214 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1761916686 OFXLDRMDUINFOW-LSDHQDQOSA-N 444.499 2.206 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cs1 1762285372 CKFVMQWRXHDRRO-QGZVFWFLSA-N 446.558 2.160 30 10 IEEE Cc1nnc(N(Cc2ccccc2)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1762529704 QHSJRBXESCCKBB-XKXPVHLMSA-N 436.516 2.299 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnn(CCOC)c1 1763740392 CCUKQHJJQKEYEB-GOSISDBHSA-N 449.563 2.276 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1 1768237622 BXAUKIIBYPRNFI-UHFFFAOYSA-N 446.558 2.104 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1cc[nH]n1 1768313849 CCFGXRONGLKQNS-ZDUSSCGKSA-N 442.911 2.356 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)c(OC)c1 1769983182 GFKQTUJTXVRPTB-RDTXWAMCSA-N 426.521 2.473 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1848991684 WXQRFWJIQZAHHW-SFHVURJKSA-N 448.479 2.352 30 10 IEEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)Cn2cnc(C3CC3)cc2=O)CC1 1852059429 WRDZIOZOKBZECO-UHFFFAOYSA-N 440.507 2.403 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H](C)Oc1ccc(Cl)cc1Br 1861663642 OMVGCIMTJSCURM-JKOKRWQUSA-N 431.714 2.134 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCO)cc1 1862645072 ZNYMXTSQDVDFIW-GOSISDBHSA-N 429.400 2.192 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc3c(c2)OCCO3)c1 1862705240 SWCPNGFKOOLVIQ-FQEVSTJZSA-N 425.437 2.427 30 10 IEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1868171803 SXMGIUGITNFAAQ-SFHVURJKSA-N 446.554 2.488 30 10 IEEE CC(C)(C)n1nc(N2CCN(c3ncccn3)CC2)nc1NC(=O)c1cccc(C#N)c1 1870073410 PWDIRFUDBWNNDF-UHFFFAOYSA-N 431.504 2.274 30 10 IEEE COc1cc(-n2nnc(C#N)c2NC(=O)c2cccc(OC(C)=O)c2)cc(OC)c1OC 1870136875 OHYKPGNCXWSPFO-UHFFFAOYSA-N 437.412 2.342 30 10 IEEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870318074 QMQJGRWXZIZLSM-UHFFFAOYSA-N 441.572 2.382 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1985008988 KXIAXQZXANAHEX-JONQDZQNSA-N 427.542 2.236 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060641746 MNKFIHNMUQMYJS-SIRPWMCASA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2060825833 MYQFWBMDUGCPHL-SKPFHBQLSA-N 440.544 2.249 30 10 IEEE C#CCn1ncc(NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c(Br)c1=O 2162391157 FWLSUVGIGJYNNX-GOSISDBHSA-N 441.326 2.077 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N[C@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2174788441 FMEWPVCNWRABGC-IBGZPJMESA-N 426.498 2.423 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2235727751 ZEGVPCXTSXRZDQ-PXNSSMCTSA-N 439.350 2.387 30 10 IEEE C=C(CS(=O)(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2243416310 IPKVPNGIUVQKLM-UHFFFAOYSA-N 428.360 2.199 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)C1 2247551506 QIPRXKSKTWMLRQ-BXFSZVDSSA-N 437.537 2.045 30 10 IEEE C=C(CN(C)C(=O)CN(CCN(C)C)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248400859 BQYOVVHDVPYMAF-UHFFFAOYSA-N 425.379 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCOc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2254634920 RVPNNDLCOJWGNY-UHFFFAOYSA-N 433.358 2.312 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254805369 KCZLKTHZIGHQQW-HIFRSBDPSA-N 437.321 2.472 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255697846 DVKZFXVRPMQTDR-IBGZPJMESA-N 426.244 2.269 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255699169 NQFHQYOEKWONKY-XOKHGSTOSA-N 429.326 2.118 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NOCCCNC(=O)OC(C)(C)C 2257490588 DQNJBBWERYUZFH-UHFFFAOYSA-N 435.330 2.265 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2259920254 ICVDJOMTVYAGKH-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE CC1(C)OB(c2cccc(F)c2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2266987882 HCUMIFGTQVLWHX-NWDGAFQWSA-N 442.218 2.113 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267260230 LDCJYWLGTOUKMF-QFIPXVFZSA-N 449.332 2.460 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267265365 FCZPRLATWFCBAK-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267273084 HRCCVTDIUOYDQY-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2267483360 RESKWNLTYAWATO-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cn1ncc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)c1B1OC(C)(C)C(C)(C)O1 2267510082 FXSYLEIZEIHLQT-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2267522229 VQCCNPLYQQNFQK-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2296226023 BEJMCFCBZBWKOU-UWVAXJGDSA-N 439.350 2.433 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)n1C 2315634465 YWACUYSJMQEXHL-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc([N+](=O)[O-])cc1)n2Cc1ccc(F)cc1 2327753888 SMJKATVMUZWPQA-UHFFFAOYSA-N 437.391 2.377 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc(O)c1 2327884405 PDVSLTYWNWQMPA-AWEZNQCLSA-N 431.518 2.245 30 10 IEEE Cc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328071929 WICIKCZUGGKDLA-NQIIRXRSSA-N 431.492 2.110 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3F)n2N)cc1OC 20528153 LOPRWQPPNJLNOT-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE COCc1nnc(CSc2nnc(N/N=C/c3c(O)ccc4ccccc34)n2N)o1 20916905 VHCKIKGOJRAPOA-DNTJNYDQSA-N 426.462 2.118 30 10 IEEE CC(C)(CNS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 122651131 HCALDTYXOLEREK-UHFFFAOYSA-N 429.134 2.263 30 10 IEEE C[C@H]1CN(c2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cc2C(F)(F)F)C[C@@H](C)O1 301160985 PENXHLVWIXWNDO-TXEJJXNPSA-N 437.422 2.332 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)CC1 435785211 AYASYCXHCPTNPH-CEMLEFRQSA-N 436.537 2.303 30 10 IEEE CCCc1c(NC(=O)C(=O)N2CCC[C@H](NC(=O)CC)C2)cnn1-c1cccc(C#N)c1 443722777 JLAZLMFMCUPEBF-KRWDZBQOSA-N 436.516 2.152 30 10 IEEE CCOC(=O)CC1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC1 447861359 PCWKRVRNOSEZBD-KRWDZBQOSA-N 426.473 2.145 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 472949561 HDJNWNSAALSZFY-IUODEOHRSA-N 433.452 2.231 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 474352804 GJERSAXNDCFRDF-GOSISDBHSA-N 425.554 2.301 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1 474558835 LBGVPDMMXHJKDS-UHFFFAOYSA-N 445.483 2.434 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)CC1 476907111 DGHOWWIXJMGVLC-UHFFFAOYSA-N 432.933 2.329 30 10 IEEE C[C@](C#N)(NC(=O)CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F)C1CC1 507419088 GRJZMDUUYHIACM-DHIUTWEWSA-N 425.508 2.245 30 10 IEEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 507523415 AGZNSLLCOKJDJI-OALUTQOASA-N 444.557 2.383 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](OC)C1 508848305 YDPFKUGDNVRQPX-TZIWHRDSSA-N 438.576 2.283 30 10 IEEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 525945010 CLZHWTWEOZFXBQ-UHFFFAOYSA-N 427.526 2.469 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542933115 HCWQWKZNLSCJPJ-UHFFFAOYSA-N 437.502 2.388 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2Cc2ccccc2)cn1 558928517 XOCHQVZCQHVDPT-UHFFFAOYSA-N 425.500 2.320 30 10 IEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C 590943115 HFIXTYCIMBVVLS-GOSISDBHSA-N 447.560 2.170 30 10 IEEE CCc1ccccc1-n1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2)c1=O 590992594 CDXAEQGVVHIGLE-KRWDZBQOSA-N 447.560 2.116 30 10 IEEE COc1ccc(CN(C)C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1OC 603590402 CHYMPQAUVBJWCD-UHFFFAOYSA-N 439.516 2.221 30 10 IEEE CCCn1c(=O)n(CCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c2ccccc21 734293503 XRFQBECNZOFLGF-UHFFFAOYSA-N 426.498 2.288 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccccc3)c2=O)cn1 735068907 IUIPITPZYKEYDC-UHFFFAOYSA-N 447.564 2.067 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1C#N 746775645 MFXONBUMPIKNJZ-FXAWDEMLSA-N 427.549 2.089 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 747583035 VJLBIDGJISXNHH-FWSRSQSESA-N 438.406 2.315 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 751510023 MOSLFQHKNIKCPQ-HOCLYGCPSA-N 441.303 2.427 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccnc(N3CC[C@@H](C)C3)c2)c1 752298945 RTXMLQFIDKOQQC-LJQANCHMSA-N 432.524 2.415 30 10 IEEE CNC(=O)c1cccc(CCC(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 752483335 YLLKHOLAXINJLD-UHFFFAOYSA-N 439.415 2.374 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CNC(=O)Cc2cccc3ccccc23)CCCCC1 760400517 MOSJCIWAXYAINH-UHFFFAOYSA-N 427.526 2.419 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(S(C)(=O)=O)cs2)c1 767289450 MJHWDFPHLFUFNZ-MNDPQUGUSA-N 441.556 2.217 30 10 IEEE Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NS(=O)(=O)CCCC#N 780474328 SYQTZBXHGAZLFH-UHFFFAOYSA-N 429.424 2.195 30 10 IEEE Cc1ccc([C@H]2CC(=O)N(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cc1 783977912 ZQTBXGPIHJHQJZ-NRFANRHFSA-N 438.553 2.147 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 790307677 UNEBXCQVOXYLQY-XMMPIXPASA-N 448.608 2.345 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)cn1 801713129 QPBXEPCDQSRHCA-GOSISDBHSA-N 429.440 2.389 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 802563435 ODLQHTHRVLLFHV-UHFFFAOYSA-N 440.504 2.359 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812387626 POJXFIHIIDDQAD-IKGGRYGDSA-N 434.541 2.219 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccccc1 814250236 JOVFDKVRADUBGA-UHFFFAOYSA-N 440.475 2.233 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ncc(Br)cn2)ccc1F 814350338 NFJSVZBMRLCJES-JTQLQIEISA-N 443.298 2.334 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 917493241 TUKKQNUAMAFSEK-HXUWFJFHSA-N 446.532 2.342 30 10 IEEE C[C@@H](CN1CCCC1=O)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700704 RSTOPYWXJRELQV-KBXCAEBGSA-N 439.541 2.169 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)cc(OC)c1OC 1083975457 YVEQFACOLDOPKK-UHFFFAOYSA-N 443.489 2.402 30 10 IEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)c3cccc(OC)c3)n2N)c1C 1084652657 UOKZSDMKUXBNQR-UHFFFAOYSA-N 440.533 2.421 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 1130433139 XSRXBPMKHJYQOC-HSZRJFAPSA-N 445.483 2.186 30 10 IEEE COc1cccc([C@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)OC)c1 1131332247 CTYFUGQVQVKUPQ-PMACEKPBSA-N 436.468 2.276 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCS2(=O)=O)cc1 1136331843 OAORLUCSRNXTBY-FQMKLWGBSA-N 441.575 2.185 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)s1 1142335869 NVOUUFRHYNPZTA-GOSISDBHSA-N 447.582 2.235 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1157761308 VQGRTUSAQGKTFL-INIZCTEOSA-N 446.979 2.484 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 1165981550 WRFVSEMYLWXCQU-NRFANRHFSA-N 441.553 2.261 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCCN(c4ccccc4C#N)CC3)cc2C1 1186548300 FCXUQJRQEUAAOA-UHFFFAOYSA-N 444.582 2.425 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 1195938996 VQSYRBPVVCTGSD-KRWDZBQOSA-N 444.413 2.426 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1224761838 IQWPAHZENIZAPF-INIZCTEOSA-N 443.488 2.218 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1286297183 AROVSELODXJLTI-RCCFBDPRSA-N 431.562 2.068 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(OC)C1CC1 1286376649 MYPDBHOTZCPLJF-VGSWGCGISA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1286391785 GHCJPKQYCGJLFD-KRWDZBQOSA-N 449.602 2.214 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1286394059 UBTWFGIEXSULTR-LJQANCHMSA-N 428.558 2.304 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286395866 SPWCZDBUAKTRSG-GOSISDBHSA-N 432.521 2.390 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1286480863 PQJIFEXOJDSFLK-RTBURBONSA-N 425.533 2.013 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1286516746 LIQXOZBTRXNRLA-IIBYNOLFSA-N 431.562 2.075 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)(F)F 1286534387 BAWRAXKWTUGLDD-SECBINFHSA-N 434.282 2.186 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(CCC)C(=O)C1 1286788897 JTEYBXYWGAHZQX-UHFFFAOYSA-N 444.967 2.273 30 10 IEEE Cc1ccccc1CN1CCO[C@H](CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1287971327 XEUQJZWONNYRHP-JOCHJYFZSA-N 446.555 2.476 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1293033221 VYTYRDYOTBTYPS-LYHOESIGSA-N 447.333 2.229 30 10 IEEE CN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298356626 BGCRHEWCDOWMGH-QQMHEVNUSA-N 440.479 2.084 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300413199 QVCFDNMOXPVARJ-NZQKXSOJSA-N 449.603 2.056 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C(C)C 1300464359 BWYZMSLSIFBGCH-GOSISDBHSA-N 434.585 2.386 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1300915822 QTJPSWVXXBJOMB-MRXNPFEDSA-N 428.624 2.495 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1301069956 IRSLRIUKJJRJPS-NRFANRHFSA-N 438.594 2.444 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCOCC1 1301295238 WSWZYYZPEFFXTR-LJQANCHMSA-N 440.596 2.043 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(C)CN(C)C1=O 1301774212 SBXVYNVLOYJJNN-XXBNENTESA-N 438.532 2.133 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@H](COC)OC 1309194753 UIEYPFKZJNGNGF-HOCLYGCPSA-N 432.336 2.199 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 1332222011 ANTOXIASPXPVCC-ZACQAIPSSA-N 428.537 2.469 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1349994294 JPXQCAZKCNSTNM-DLBZAZTESA-N 441.347 2.058 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1358932256 DYHFNIPNMRPBST-FUHWJXTLSA-N 444.605 2.415 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358964885 JMDQNMDXVKLUEP-IEBWSBKVSA-N 446.548 2.061 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCC1 1358984999 MOKLDPIWLIXIPW-UHFFFAOYSA-N 438.963 2.420 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1359005357 FJQIHUUTEHJZON-UHFFFAOYSA-N 433.603 2.092 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359008094 GGKXCFLTJQWYFY-QGZVFWFLSA-N 428.537 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)cc2F)CC1 1359045096 WZLSIYCAZJRJFA-QGZVFWFLSA-N 429.471 2.074 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359057616 DUPNJILLJSLQBA-AZUAARDMSA-N 446.665 2.222 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1359060437 VNVOWCAXZINDLW-GOSISDBHSA-N 428.558 2.438 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359122396 PZHOXJDEVBQJHM-AWEZNQCLSA-N 425.505 2.241 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359131925 IYAQKFASTOZCJH-SFHVURJKSA-N 441.532 2.402 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359157815 UZXCWCMQTSQFFI-XLIONFOSSA-N 436.944 2.173 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1359211545 HIKCLCBPOFKFSY-UHFFFAOYSA-N 447.561 2.154 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1359297958 HZFSDJLSNFISQD-UHFFFAOYSA-N 430.516 2.457 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1359318994 QJKNWXFJQPKZJR-RDJZCZTQSA-N 439.486 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359329475 KAANENOWJKYUBZ-UHFFFAOYSA-N 445.589 2.241 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1436664706 QGTSFAHYFBZZEH-SJORKVTESA-N 439.553 2.496 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cc(Cl)c(Br)c(OC)c2N)CC1 1448345359 BWXQPHIOEMYODN-UHFFFAOYSA-N 428.714 2.295 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C[C@@H](O)COc3ccccc3C#N)C2)cn1 1460652391 QFAVRQKIOISLIZ-SVFBPWRDSA-N 440.544 2.479 30 10 IEEE Cc1nc2ccc(O)cc2cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464022573 CTRBNUMHGRFEMS-UHFFFAOYSA-N 436.493 2.267 30 10 IEEE C#CCOCCNC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1476662027 AONVCCLORVINJM-UHFFFAOYSA-N 433.486 2.276 30 10 IEEE C[C@H](NC(=O)NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1478416028 CCVYPHNRLWAQIS-HNNXBMFYSA-N 427.530 2.076 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1497225796 CKLXJRJTNABRRD-HKUYNNGSSA-N 434.552 2.391 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1503461411 AOKFJHFNOQDLSG-KRWDZBQOSA-N 442.570 2.387 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCSC)CCO1 1503772976 QAUHQQHHSBKUNW-GOSISDBHSA-N 428.562 2.301 30 10 IEEE COc1ccc(COCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504287011 VTCHJUAPHWSRLC-PMACEKPBSA-N 427.505 2.474 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1CCOCC1 1507707674 ZEBXEHCUWHWURI-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCOC[C@H]2CCCO2)CC1 1507737554 ACGVOMJNOBYQLQ-HXUWFJFHSA-N 429.565 2.097 30 10 IEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1507758046 HAARRQXOIMEVIS-IRXDYDNUSA-N 446.577 2.445 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507953470 GTSSTBWYKOTTHR-KRWDZBQOSA-N 430.578 2.170 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507959050 LLLOVDOIAMVLNL-IBGZPJMESA-N 429.521 2.267 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1508083731 BGWUPBLBOHKGSC-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](OCC(C)C)C1 1508084301 LOCOYKIOVBOGSQ-LJQANCHMSA-N 437.548 2.070 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1508122827 ATEAKAVEVJFQMV-UNMCSNQZSA-N 439.608 2.071 30 10 IEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)N(C)C 1509105427 AVUBIJQTUAKZIV-UXHICEINSA-N 437.548 2.434 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)N(C)C3CC3)CC2)c1C#N 1511662814 AHDIZKYTLDFCMN-INIZCTEOSA-N 439.612 2.299 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1512539382 JZXOGPFRSODAKN-AOMYARPXSA-N 442.907 2.350 30 10 IEEE CSCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1520426078 HCSVHOZCOZOCDC-IRXDYDNUSA-N 442.593 2.302 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539230483 HXSDDFKBEUWBHO-BHYGNILZSA-N 449.602 2.325 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1539521092 XVAQEBMUQYOGRN-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)CC1 1539835960 JQXUQXMRFOWGKT-UHFFFAOYSA-N 426.477 2.259 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1539977558 PKMRUIZEMIIIEB-UHFFFAOYSA-N 442.568 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1540907480 YFIHYFMHYSMOKF-NRFANRHFSA-N 434.537 2.068 30 10 IEEE Cc1ccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1542247814 ACQKGRXJMROTPV-HSZRJFAPSA-N 433.491 2.444 30 10 IEEE COc1cc(N)c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1S(C)(=O)=O 1543139861 PHNJQWAKVGLQGW-UHFFFAOYSA-N 429.498 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 1543377988 QKMNYUUEFQKCGX-HXUWFJFHSA-N 442.560 2.375 30 10 IEEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1546656164 GSJJZXNZTCOCLX-QGZVFWFLSA-N 428.562 2.479 30 10 IEEE COCC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555306244 CTVDIFAMKZWIOZ-IPMKNSEASA-N 447.580 2.369 30 10 IEEE COCCOCc1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1555708011 HSTJDQKUEJEJEI-UHFFFAOYSA-N 447.543 2.391 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 1561149150 JWDWARKJVQEKKR-KRWDZBQOSA-N 437.514 2.216 30 10 IEEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Nc2cc(C#N)c(F)cc2F)CC1 1563202214 BNTRKCXEQILHGX-UHFFFAOYSA-N 449.483 2.094 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1 1564999748 OXMNXSDWDCGNML-YLJYHZDGSA-N 436.350 2.038 30 10 IEEE C#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)c1ccc(Br)cc1 1583566587 XJFYBGYNBCOVHO-HNNXBMFYSA-N 427.218 2.437 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1587550542 NICGZGYWFXMTOO-QUCCMNQESA-N 437.544 2.496 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588060113 ZSTRFRKFCZPCHG-REWPJTCUSA-N 444.601 2.401 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1ccco1 1588205730 SQDAZDKIIWBJBK-UHFFFAOYSA-N 445.479 2.202 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588229070 QMCCHALXDPOSPL-WOJBJXKFSA-N 437.519 2.118 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CC2)CC1 1588780927 YVGYTOPXAHJNEK-UHFFFAOYSA-N 434.313 2.127 30 10 IEEE Cc1c(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 1588787424 PHGJIZYVURFROA-SNVBAGLBSA-N 430.280 2.465 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1588800757 NZKGYKYIYMUFJI-HXUWFJFHSA-N 439.564 2.256 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)CN2CCCC2)CC1 1588849100 YVCNWFHYOYOIRG-OAQYLSRUSA-N 436.604 2.365 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1589133950 COLLGASUWDHKEX-OAQYLSRUSA-N 446.665 2.491 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1589215888 HFVXJGLFAPGNMA-YSGRDPCXSA-N 434.587 2.142 30 10 IEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1)c1ccccc1 1593789790 RVCLZYIVRMKCON-HXUWFJFHSA-N 443.573 2.481 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCCNS(C)(=O)=O)CC1 1594247340 JNIZCKIUXQPNLW-UHFFFAOYSA-N 433.578 2.219 30 10 IEEE C=CCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595453245 QABMDZGWTPCGPW-QFIPXVFZSA-N 432.569 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCC2)CC1 1595490743 YVVZWUZYABIXIX-UHFFFAOYSA-N 448.369 2.012 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1595543865 ATHQDHAMBFVFCI-LEWJYISDSA-N 438.576 2.185 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)n[nH]2)c1C 1596093412 OBZGOEWIGVRPFY-CQSZACIVSA-N 431.504 2.089 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CN(c3ccccc3)C2=O)C1 1611489047 BJZFVNQMGHLMHD-KRWDZBQOSA-N 425.286 2.289 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 1611574707 XRGJAQAYDFJGNH-DENIHFKCSA-N 431.496 2.479 30 10 IEEE Cc1ccc(N(C)c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1612094000 MGYZEANRCUGEQQ-XUTLUUPISA-N 449.515 2.117 30 10 IEEE CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1616361506 YJWTZZNAEXAMLU-UHFFFAOYSA-N 436.472 2.144 30 10 IEEE CCOC(=O)[C@@](C)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1616436399 DVHDVJOIYYHLTF-NRFANRHFSA-N 432.473 2.374 30 10 IEEE CN(CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1)CC(F)(F)F 1618283695 BMKYLFUJRLDCRX-UHFFFAOYSA-N 449.481 2.403 30 10 IEEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1618529926 TXDDKCSSIAIYMX-OALUTQOASA-N 440.548 2.282 30 10 IEEE N#CCN(C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1626843373 OCULYJHADPIRQG-NRFANRHFSA-N 432.480 2.284 30 10 IEEE C=CC1(CC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1627895521 LLHUNGCJOVMDFQ-OAHLLOKOSA-N 427.542 2.144 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccnn2Cc2ccc(Cl)s2)cc1 1636568826 BZHXWFLSZMYNPH-UHFFFAOYSA-N 435.918 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1639033753 NGZBKNNADGSLMZ-QIEZACGCSA-N 432.521 2.295 30 10 IEEE Cc1nc(C#N)cc(N2CCN(C(=O)c3ccccc3I)CC2)n1 1642116561 ULJLHGMOMBRNGO-UHFFFAOYSA-N 433.253 2.224 30 10 IEEE CC(C)(C)OC(=O)[C@@](C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1647777085 GVJKEXGUDBTIBU-QFIPXVFZSA-N 443.525 2.210 30 10 IEEE COc1cc(CN2CCS(=O)(=O)C[C@@H]2CCO)ccc1OCc1cccc(C#N)c1 1654857084 SUSKMCCVAANWST-FQEVSTJZSA-N 430.526 2.127 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)Cc2c(C)cc(C#N)cc2C)CC1 1666898322 ZXERALUPQNOHPG-UHFFFAOYSA-N 440.569 2.463 30 10 IEEE C#C[C@@H](NC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1)[C@H]1CCCO1 1681815993 BRPWCUCDHZDGSB-HZPDHXFCSA-N 437.290 2.321 30 10 IEEE C#CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1685764255 PBHVLJXVFONICY-MJGOQNOKSA-N 426.517 2.270 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN(C)C(C)C 1689998241 GNVCKRMQSKEMDJ-UHFFFAOYSA-N 432.572 2.475 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cn2ccc(C)cc2n1 1690003695 UZEWHTIJFWJLSL-XMMPIXPASA-N 432.528 2.396 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCN1CCOCC1(C)C 1690028409 VAFCPZKJCBGIJQ-UHFFFAOYSA-N 437.544 2.049 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690171020 USXZNSAKEKIGKM-CVEARBPZSA-N 448.593 2.041 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)F 1690188285 HHVZCCNRFJYXNI-OAQYLSRUSA-N 432.475 2.496 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)CC1 1690411030 CXLSAGOWDWXYRZ-GOSISDBHSA-N 437.610 2.450 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1690525992 VUUKZASRQHVBRU-UHFFFAOYSA-N 434.548 2.130 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1(=O)=O 1694086722 XRSGZYIWPADAEP-PBHICJAKSA-N 444.561 2.294 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1695049013 YCTDZFRGLQCAMN-DEOSSOPVSA-N 446.559 2.408 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1705531742 UWIJYCLMUUXING-INIZCTEOSA-N 435.532 2.349 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC(C)C)CC1 1705536318 NEFKZYWREKLWER-UHFFFAOYSA-N 435.576 2.477 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1705552714 NWCIJBQCYQOAAZ-LJQANCHMSA-N 446.596 2.184 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705567734 YQPSXGGEUCSXKN-FUHWJXTLSA-N 434.949 2.110 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1705612608 KMZDPVZETLUMAK-QGZVFWFLSA-N 442.520 2.013 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N[C@@H](C)CC)CC1 1705636475 LZXSPWDFPMVGKL-INIZCTEOSA-N 429.956 2.054 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCOC2)CC1 1705649831 GGXYBZYTBMCQNJ-GOSISDBHSA-N 427.574 2.323 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)(=O)CC1 1705664584 UDNORSLUOVDONK-UHFFFAOYSA-N 434.587 2.075 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705736424 QZEOTXIJMHNVJN-UHFFFAOYSA-N 449.552 2.398 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705810470 ZLFYSYQFEUIJBC-UFYCRDLUSA-N 447.580 2.186 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1705897839 VJMZFUMVFUOXDB-AOMKIAJQSA-N 429.496 2.476 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1711052134 JRUSODDDMXMVSU-UHFFFAOYSA-N 449.515 2.191 30 10 IEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)(F)C(F)F)CC1=O 1711279326 UZSDXAWMENDIRM-UHFFFAOYSA-N 440.401 2.012 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1712275474 OPPMPIXLBWBNBI-HKUYNNGSSA-N 438.532 2.116 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)NC1CCCCC1 1712625005 QNICFCBANNCVNX-UWVAXJGDSA-N 432.569 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2 1722284184 KXUFVMLANNLLLB-LBPRGKRZSA-N 435.431 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722289657 RQAQSGKUXVKUGD-QXAKKESOSA-N 428.562 2.002 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1722337050 UJPNCNRCWUPASI-NRFANRHFSA-N 448.571 2.314 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)NC(C)C 1722379146 FOKGADVFGIVXFM-UHFFFAOYSA-N 425.514 2.092 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722457702 KWXSANLAMHUKEV-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722458689 QFUKVQTYIPXFPO-IBGZPJMESA-N 441.605 2.326 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC(C)(C)COC 1722467873 XDMONMUTYMYKKF-OXJNMPFZSA-N 425.599 2.333 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1722492894 FOJKZPNKRNKEFR-QRVBRYPASA-N 435.569 2.029 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1722657986 DUQTYEAKCJGNKM-RLLQIKCJSA-N 445.589 2.460 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1722863607 LIHMFPMRONRORF-LSDHHAIUSA-N 440.483 2.364 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCSC1 1723627315 MQJMSHIRYGETNR-KGVIQGDOSA-N 440.573 2.028 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1731129230 BGNSVQLZYBHBSW-UHFFFAOYSA-N 448.618 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740547524 WXYOYNMNNPFAER-KRWDZBQOSA-N 438.557 2.405 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1740671760 NZHRNUHZLNHVAN-QRWLVFNGSA-N 434.587 2.189 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1740697614 ABZIJENSKPNLPH-QHCPKHFHSA-N 447.562 2.461 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1740698006 MKHOQGXMZAQXCN-HSZRJFAPSA-N 447.562 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CC=CCC2)CC1 1740708506 RSYJBURLIYJNJL-UHFFFAOYSA-N 446.599 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1740724478 DHOZWLFSWYLWPY-ZBQZNYHESA-N 436.607 2.449 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1740726323 XMIOUCKIJHSZQD-VWNXMTODSA-N 445.608 2.422 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCNS(C)(=O)=O 1740734274 XARICXFRBBGZBK-OAQYLSRUSA-N 431.562 2.015 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1740756662 QJKVZERPHODUEX-UWVAXJGDSA-N 441.532 2.255 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1740769116 ZKRPWUJROOTDLE-KKSFZXQISA-N 429.496 2.304 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1740770790 GOMJFCHXYNBCPX-UHFFFAOYSA-N 429.546 2.159 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740851423 WAURYKBLVCJVKH-KURKYZTESA-N 438.594 2.167 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1740960103 LFFCBTWPZXQKMF-LLVKDONJSA-N 430.456 2.196 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740970029 YTUUYWRLDQDSOZ-OALUTQOASA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OCC2CC2)C1 1740993219 ZSSVFUZBMGFBHH-MOPGFXCFSA-N 438.594 2.168 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1747356789 XCBAJNNCROCAPS-FXAWDEMLSA-N 440.548 2.221 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCSC1 1747623335 HROCOKZPWVPVDT-QGZVFWFLSA-N 426.546 2.041 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1748759991 QYPGECKLBZFXGS-QHCPKHFHSA-N 447.587 2.409 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)c(C)c2)CC1 1749008876 HVMPFZIPCRTWPF-UHFFFAOYSA-N 435.507 2.140 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 1749136855 SVHDNPTUZKBLBM-WIYYLYMNSA-N 446.573 2.382 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1749364633 VMUADARWQHCDJO-UHFFFAOYSA-N 435.532 2.073 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749659052 SNJQWJYRZRZNAF-KRWDZBQOSA-N 436.516 2.489 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC[C@H]1COCCO1 1749806059 GJAADCJFVKVPOM-RTWAWAEBSA-N 441.532 2.112 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1Cc1ccc(C)n(C)c1=O 1749832254 AZLASBGKSISAOT-UHFFFAOYSA-N 426.546 2.352 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1750377937 CNSCODOTZIDAQM-SQGPQFPESA-N 435.887 2.492 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCCCO3)n2CCOCCCO)CC1 1750384665 IUSIFDRKYVWHRU-OAQYLSRUSA-N 440.548 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1 1760119406 ZNAOVXQVCHCCHW-UXHICEINSA-N 425.577 2.498 30 10 IEEE C#CCCCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760152895 BXAMAOXSSSLBPR-IBGZPJMESA-N 437.610 2.226 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN(CC)C(=O)OC(C)(C)C 1760196610 PNUYCHAFZUKYOC-QHCPKHFHSA-N 445.564 2.260 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)CC1 1760263924 VDGIAUQXDBFLGD-FDDCHVKYSA-N 446.596 2.266 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC)CC1 1760285638 MISMIZHAAWVBBF-UHFFFAOYSA-N 442.589 2.302 30 10 IEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)CC1 1760402402 LQGPXTQXFJHQFS-UHFFFAOYSA-N 431.487 2.408 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760452239 JEGFQUNCKYIMRP-UHFFFAOYSA-N 440.504 2.464 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1760491186 WMAUHVMQIFQWIX-UHFFFAOYSA-N 433.516 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760518578 XKIRLRHEOUJIIU-UHFFFAOYSA-N 442.951 2.349 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760529039 VDXQJLGXKHNRLS-HSZRJFAPSA-N 449.596 2.405 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760532466 WBJLCEBKZKJMNO-UHFFFAOYSA-N 426.565 2.190 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760534137 ZBLQFOMOPBONDG-HKUYNNGSSA-N 425.533 2.452 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 1760685071 KVQOVNSKSGWMIO-UHFFFAOYSA-N 438.532 2.404 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1763746104 QEMWQFZOJCBFNI-SJLPKXTDSA-N 436.564 2.300 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1764682170 UNFIXVJPWVYXHT-ZHRRBRCNSA-N 445.568 2.267 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC=CCO1 1769818721 CMSHIJAVVTZTMI-FQEVSTJZSA-N 438.532 2.286 30 10 IEEE COC[C@@H](Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1770780899 FWUVXXSVPVQAFU-MWDXBVQZSA-N 436.557 2.449 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1770867103 DJTMZNXSKFMXOS-UHFFFAOYSA-N 438.532 2.380 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1771180683 QNECRSVOANCDCF-VQTJNVASSA-N 448.612 2.489 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1771535623 SZIJLSBDZJLTFS-QZTJIDSGSA-N 426.496 2.005 30 10 IEEE CN(C)c1ccnc(N(C(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)c1C#N 1851981096 IANXHILOPUVAKQ-UHFFFAOYSA-N 433.921 2.373 30 10 IEEE Cn1c(=O)ccn([C@H]2CCCN(C(=O)c3cccc([C@H](C#N)c4ccccc4)n3)C2)c1=O 1852939388 IMLYYQAOYBWPSW-RBUKOAKNSA-N 429.480 2.075 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCc2nn(C)c(=O)cc2C1)c1ccc(Cl)cc1 1853186219 YLWCMRLPYLQZSK-ZDUSSCGKSA-N 431.949 2.447 30 10 IEEE C=CCCN(C)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 1854682883 MFJYGIRZRWQEPC-KRWDZBQOSA-N 439.603 2.174 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(N(C)C)c(C)c2)cc1 1859012960 JVYVSGZNQKZTBX-UHFFFAOYSA-N 443.525 2.082 30 10 IEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc1 1862629590 ZJFCPZAWAWYEJG-GOSISDBHSA-N 425.393 2.074 30 10 IEEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc5c(c4)OCO5)=C(O)C(=O)N3CCO)ccc21 1862632569 RKLNQAGWHMOTGI-OAQYLSRUSA-N 436.464 2.368 30 10 IEEE N#CCc1[nH][nH]c(=NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c1C#N 1865899449 FOINZBBSHAVWFP-UHFFFAOYSA-N 430.811 2.476 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3Cc4ccccc4CN3)sc2c1 1866235107 YLGLJWTZOIMZHG-KRWDZBQOSA-N 428.539 2.414 30 10 IEEE CS(=O)(=O)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc(C#N)c1 1867019697 WHJGJIJTVGYSEZ-IBGZPJMESA-N 445.566 2.350 30 10 IEEE C#CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870560617 DQSVNUSMBZABJI-OAQYLSRUSA-N 437.540 2.370 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 1890179766 FREVYEQQDUBJIF-UHFFFAOYSA-N 428.533 2.245 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625456 KJKKTLDNGCWPCS-DZGCQCFKSA-N 432.330 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(N)c(Br)c2)[C@@H](C#N)C1 2106650563 DBENOMVGWFJJJX-NSHDSACASA-N 445.339 2.165 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2174786443 JUYICMVOPKJWFF-MOPGFXCFSA-N 429.498 2.229 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243423309 WVULIMVHEGPAID-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)NC1C[C@@H]2COC[C@H](C1)C2(C#N)N(CCO)C(=O)OC(C)(C)C 2244165750 WEXKWADVUZGGAK-MEWABEDBSA-N 425.526 2.428 30 10 IEEE C=C(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2246849987 IUEBCNTUXITUPH-RYUDHWBXSA-N 438.252 2.107 30 10 IEEE CCC[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2248401448 JBQFWDQPLKEJAL-GFCCVEGCSA-N 440.375 2.233 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254633248 CGJOUQYIBUFSRG-UHFFFAOYSA-N 434.298 2.270 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255343494 XKWVTZBGIIBRPN-INIZCTEOSA-N 433.358 2.311 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255704977 OKGXPPVDXDRPOI-LSDHHAIUSA-N 437.321 2.391 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255842089 MRYPSGIGHHHWFQ-JQWIXIFHSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870954 PIFAUHDOFJBTMY-LSDHHAIUSA-N 431.342 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C[C@@H](O)C1 2256604070 AAYKJPIYFIUPKP-DLBZAZTESA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2256622536 IKRBQCIQNNKIFW-UHFFFAOYSA-N 426.322 2.403 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2259933925 PUFKGTLGHYPRLQ-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE CC1(C)OB(c2cccc(F)c2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2266981464 JAOHFFKISLRQFF-IBGZPJMESA-N 444.234 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098519 ABYVEZDBDFHRPY-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1 2267120479 KWNMGQPDLFHCRW-GASCZTMLSA-N 448.373 2.235 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267133568 DFLGAHNTSAZFEO-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267137862 UAPYWGPWVIJSRQ-RCDICMHDSA-N 446.357 2.086 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267181304 QOIZSKCPHSASPH-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267186395 JBJQAESMMFHLSO-XLIONFOSSA-N 438.381 2.360 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267266863 FXEZSTURKGMBQW-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267268865 ADGPLNZGRLTUES-QFIPXVFZSA-N 446.357 2.153 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267283879 VHWGACAWEUYJAU-WMLDXEAASA-N 449.357 2.068 30 10 IEEE Cc1ccc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267600356 FEDAXDOWKBKNID-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2302953011 VMEDGCVOYWWRDB-IBGZPJMESA-N 448.585 2.348 30 10 IEEE CCCCn1c(N2CCOCC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314460456 VYRVAFBQQMFSND-UHFFFAOYSA-N 432.571 2.496 30 10 IEEE Oc1ccc2cc(Br)ccc2c1C=NNC(=S)NCCN1CCOCC1 2323044470 QZQMSSRLNGVFOD-UHFFFAOYSA-N 437.363 2.438 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C 2337184253 GGVPYBCYQZHILS-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2344029635 UVYOXWGBJFVSGA-PMPSAXMXSA-N 444.341 2.360 30 10 IEEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1nc(Br)nn1CCOC 2382083630 HZCRKCXVUIIWLR-IRXDYDNUSA-N 439.354 2.472 30 10 IEEE CSc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2O)n1N 20292409 MTALBEDXBGUYIX-AWQFTUOYSA-N 445.530 2.302 30 10 IEEE CCCCn1c(N)c(N(C)C(=O)/C=C\c2cn(CCC#N)c3ccccc23)c(=O)[nH]c1=O 96593036 RNOGFQXIPIKZSA-KHPPLWFESA-N 434.500 2.463 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)c1OC 102741985 PQQLECRLQSVGDN-HQMFNGAOSA-N 442.516 2.417 30 10 IEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1 102744827 VYVSYGUCFFQLNG-LAFOYAEKSA-N 444.557 2.242 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1OC 102753413 HBZIAYRICOFCSG-GOBJLOIFSA-N 440.500 2.094 30 10 IEEE N#CCCC[C@@H](NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccccc1 431821183 KCXOOWXTKGZYHB-OAQYLSRUSA-N 433.512 2.493 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460568797 ZEKUZRGEYBTGPC-UHFFFAOYSA-N 445.589 2.458 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)c1OC 466110221 XSYYEJXYNDHKNU-UHFFFAOYSA-N 438.484 2.122 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C 469363484 MNCJHSCCCZRSAU-IFXJQAMLSA-N 428.514 2.249 30 10 IEEE CC[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 472431297 KKXILBAKKSDEFT-PKTZIBPZSA-N 448.571 2.464 30 10 IEEE C[C@@]1(c2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc2)NC(=O)NC1=O 480559512 UWXAXWDAQABRGG-BEFAXECRSA-N 427.258 2.498 30 10 IEEE CCCc1c(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)cnn1-c1cccc(C#N)c1 482451493 WJACCAHSDXCXKJ-UHFFFAOYSA-N 444.561 2.490 30 10 IEEE N#CCOc1ccccc1C1=NO[C@@H]2[C@H]3C[C@H]([C@H]4C(=O)N(Cc5cccnc5)C(=O)[C@@H]34)[C@H]12 504708488 ZJVAWWXWSPYHTM-JOTSJDLFSA-N 428.448 2.154 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508946505 TZBRHKLFARDJCL-HSZRJFAPSA-N 439.564 2.412 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 512108361 HGQQDRXUXWGWFW-UHFFFAOYSA-N 427.461 2.499 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)N2CCc3ccccc3C2)sc2c1CCC2 526889320 OKZCPMDUIAXIRO-GDLZYMKVSA-N 427.551 2.381 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCOC2)c1=O 533085986 LPPFFLXYVAQCEL-HNNXBMFYSA-N 426.513 2.266 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1c(F)cccc1I 535736941 VLWGGOKJAQUGNX-UHFFFAOYSA-N 427.221 2.312 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)CC2)n1 546875118 VEKCZCAFJJXZTA-IBGZPJMESA-N 435.503 2.222 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 563911466 SFYFTHFQHIROKS-QHCPKHFHSA-N 429.517 2.364 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 579893960 FFLABHKQBDGPQQ-FQEVSTJZSA-N 425.533 2.224 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 609043000 QGLXUIRFHGNKKD-INIZCTEOSA-N 427.530 2.059 30 10 IEEE N#Cc1cc(CN2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)ccn1 610993382 PAYNAPRPZSLONM-UHFFFAOYSA-N 449.374 2.307 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)n2)c(Cl)c1 611836108 FAFJWSIVZYHVIU-INIZCTEOSA-N 428.880 2.299 30 10 IEEE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(C#N)cc2F)c1 729853957 QFZJNTPXZAWOTE-ALCCZGGFSA-N 434.445 2.379 30 10 IEEE Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732428138 AZVKZOUNCGSTRU-VZCXRCSSSA-N 425.489 2.315 30 10 IEEE C=C(COC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C(=O)OCC 734025180 FFYYRZZIZMNYTG-UHFFFAOYSA-N 432.292 2.166 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccc(C#N)cc1 740212301 MBZYETWHVXWZDQ-GOSISDBHSA-N 432.429 2.209 30 10 IEEE N#Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 741971801 OPFAIHQPWSUONP-UHFFFAOYSA-N 449.916 2.041 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@H](CO)c2ccccc2)cc1 750590970 MMYLJNQXRAADAK-DJUDNFEDSA-N 430.530 2.397 30 10 IEEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755042577 RSPDXVGSYBKHTG-UHFFFAOYSA-N 427.551 2.203 30 10 IEEE Cc1ccc(-c2nnc(COC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)o2)cc1 767680975 OOACNTPVVKWXFK-AWEZNQCLSA-N 426.454 2.327 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCOC2(CCSCC2)C1 771648791 FLEARGAPBKJDDR-OAHLLOKOSA-N 437.587 2.066 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)/C=C/c1ccccc1Br 780752824 ZULMEVBXBZVGDE-BJMVGYQFSA-N 438.307 2.293 30 10 IEEE COC(=O)C1=C(C(C)=O)[C@@H](c2c(Br)cnn2C)NC(=O)N1Cc1ccccc1 783642832 SCJTYFATTDNTJP-HNNXBMFYSA-N 447.289 2.465 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc1C#N 787852265 QKBCMJBSCHITPQ-UHFFFAOYSA-N 431.496 2.345 30 10 IEEE COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)CCc2c(C)nc(O)c(C#N)c2C)nn1 788095984 RPBVBMZBMCTGRJ-QZTJIDSGSA-N 427.461 2.314 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 788693944 IUDXLNIGLIJSIP-UHFFFAOYSA-N 432.546 2.338 30 10 IEEE N#Cc1ccnc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 803845236 AXPVKQZOSOIPQC-UHFFFAOYSA-N 442.497 2.313 30 10 IEEE C=CCNS(=O)(=O)c1ccc(Cc2nc(-c3cnc(OCC(F)F)cn3)no2)s1 904739091 YNEUZNAUGLPRBB-UHFFFAOYSA-N 443.457 2.287 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2COc3ccccc3O2)c1 916694039 QCQMOHIULLKCLM-CLXZYQIKSA-N 444.513 2.461 30 10 IEEE C[C@H](C#N)CNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1136816553 KJWXSSBMKBKYEE-LLVKDONJSA-N 427.299 2.025 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1137536946 CWXHRZINKZZDEX-YESZJQIVSA-N 428.537 2.469 30 10 IEEE Cc1oc(NC(=O)CN2CCn3ncc(I)c3C2)c(C#N)c1C 1176423338 VYDGDPUDCZSRJE-UHFFFAOYSA-N 425.230 2.024 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1177960122 ZFYJBVXQGMOYPI-DLBZAZTESA-N 435.546 2.154 30 10 IEEE C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1191927685 CTMSIRAPVKPBQU-QUCCMNQESA-N 425.533 2.487 30 10 IEEE C#CC1(O)CCN(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 1222144400 COPBQHMRNAMWBK-UHFFFAOYSA-N 438.494 2.387 30 10 IEEE CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 1223301341 HDGHAMZNCZIUHC-UXHICEINSA-N 428.533 2.154 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1286397862 VGBFLGRNRLFIOT-IBGZPJMESA-N 434.537 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286410266 YMQDKGIWIKUHLU-QHCPKHFHSA-N 440.551 2.336 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](OCC=C)C1 1286501372 WBDROKWMISNBBD-LJQANCHMSA-N 436.545 2.069 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1286594039 XWYAHVHLAYMLEO-NHCUHLMSSA-N 441.576 2.310 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286688900 ZZPJDQOLKDKEBA-QGZVFWFLSA-N 425.599 2.389 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C)C(=O)C1)C(C)C 1286752289 YISANTXYBIDNLT-VQTJNVASSA-N 430.597 2.497 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nnn(C)n2)C1 1286800337 JTEJKYLBGICCKS-MSOLQXFVSA-N 438.536 2.388 30 10 IEEE C[C@@]1(CCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)NC(=O)NC1=O 1291936950 QWRYRPZQMMXCGU-SFHVURJKSA-N 430.515 2.409 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCCC1 1297279176 CEUHCAXBHJNZIE-UHFFFAOYSA-N 427.528 2.248 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCC[C@H]3CS(C)(=O)=O)C2)C1 1298178559 OJOOBFGBLKMLEO-NHUHVJRWSA-N 439.578 2.199 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1298790642 PWNZTEOXFIDVFR-WIYYLYMNSA-N 429.546 2.212 30 10 IEEE COc1cc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)ccc1C 1299867114 IEQWPXYLJZBGLY-QFIPXVFZSA-N 426.496 2.402 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1300502044 PSYYKVVWOVITPI-DLBZAZTESA-N 436.628 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H]2C)CC1 1300718671 DRCATYHMZCBEBC-IBGZPJMESA-N 445.571 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1300725321 GTXKSWWQUFZHFN-JOCHJYFZSA-N 429.952 2.367 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1300778059 KUMFAPSDRMXSKD-MRXNPFEDSA-N 434.635 2.499 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)CC1 1301085434 JYAANPPJFUWXQY-SFHVURJKSA-N 435.594 2.129 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)s1 1301192331 RIAQRWSLNANPNX-OAHLLOKOSA-N 448.570 2.027 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1301568783 JXHMNOKCNIWFCX-UHFFFAOYSA-N 435.569 2.464 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1305547518 FTVWMSQPPCFNTJ-BBWFWOEESA-N 425.541 2.021 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1313039464 CAKDAGKAYZDFBM-GOSISDBHSA-N 440.585 2.251 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCC[C@H](C)C1 1314354119 DSIIIDDKJXRBEJ-INIZCTEOSA-N 425.537 2.081 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1314706397 ACXGKVPDTYSZTH-PMERELPUSA-N 428.562 2.079 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CCC(C#N)CC2)c1 1315061914 CMWMSVWINXZYIJ-UHFFFAOYSA-N 437.529 2.036 30 10 IEEE COc1ccc(COCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1315509148 UJJKNMDBCXFKAF-AVRDEDQJSA-N 442.495 2.287 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCn2cc(Br)cn2)CCO1 1316537587 DOFKLJWJCUIGJZ-HNNXBMFYSA-N 443.309 2.118 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1 1355166824 GFPPMXYQZSJALN-UHFFFAOYSA-N 427.379 2.261 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1358961584 BOUUVXZOAKBNIP-KRWDZBQOSA-N 433.603 2.418 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359302339 CVSRWWFNRKJFPA-UHFFFAOYSA-N 449.534 2.027 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1359309191 KWIKYLCLMFLAIJ-AEFFLSMTSA-N 449.577 2.117 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359471871 AYYALSDMCYZEEH-PMPSAXMXSA-N 431.541 2.225 30 10 IEEE C[C@@H](Sc1nc(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cs1)C(N)=O 1435857188 HFOQANRQHRKXSA-SNVBAGLBSA-N 430.490 2.487 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1446626569 DNDGFZCOYUQMJA-OAQYLSRUSA-N 438.546 2.078 30 10 IEEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1cccc(C(F)(F)F)c1 1463163724 PIEUPAJWYQPLGT-KBXCAEBGSA-N 438.431 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1CCS(=O)(=O)CC1 1466651209 ZHOQQIYOZRJDPC-LJQANCHMSA-N 447.557 2.334 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 1466664012 UPHAHQTXCCKZKI-KRWDZBQOSA-N 435.546 2.102 30 10 IEEE CN1C[C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](c2ccccc2)C1 1469367631 CCBGKXIAIQQQJI-BAGYTPMASA-N 445.523 2.225 30 10 IEEE C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@H]1CNC(=O)OC(C)(C)C 1472187704 LJAXMDAIAYPQRU-LPHOPBHVSA-N 449.573 2.482 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1475973416 HVPYVDRTROYKQA-MRXNPFEDSA-N 441.575 2.115 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1scnc1C 1503108030 AUEPOHJICBIVQQ-UHFFFAOYSA-N 438.561 2.416 30 10 IEEE CCOCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCC1 1503162635 OMQNOKVPDDPKTD-LJQANCHMSA-N 443.596 2.190 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1503348551 BDYAYBRAVGMWPF-SFHVURJKSA-N 449.602 2.495 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCCCCO)cc1 1505318780 MJIYCQXCRAQOMD-LJQANCHMSA-N 436.520 2.324 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1505322531 PSEYSIXRTKTEKX-AWEZNQCLSA-N 441.433 2.367 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1507751352 HSGITPZVRCAIFV-MRXNPFEDSA-N 438.557 2.031 30 10 IEEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCNS(C)(=O)=O 1507779495 BWQIEJGQUFSQAU-UHFFFAOYSA-N 442.383 2.402 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCCOC)C1 1507806886 ORKSPLLGTUGZGW-KNKQGSTJSA-N 447.580 2.014 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507869606 WMQJTRQSQOOITQ-LJQANCHMSA-N 434.953 2.497 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1507962341 QVTXVTPXGOWHRU-GOSISDBHSA-N 435.532 2.390 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1508021989 VRTXCDYYLIIJJZ-DLBZAZTESA-N 430.530 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508139516 BPSPQFKMMWTRBU-KRWDZBQOSA-N 438.594 2.311 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508159442 UVFMASCLLKERJJ-HNNXBMFYSA-N 436.559 2.216 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1509482307 VZPBAKNDYTZSNT-SFHVURJKSA-N 440.548 2.458 30 10 IEEE COCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518963684 FFPKNVDLERPWTB-ISHFTEKXSA-N 425.533 2.313 30 10 IEEE COCCN1C[C@H](Cn2c(C)nnc2N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)CC1=O 1519193495 UIHWCCYECWYLCQ-FCHUYYIVSA-N 436.560 2.412 30 10 IEEE Cc1cc(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc(C)c1C#N 1538133150 FSRNMMXGZZSVFR-UHFFFAOYSA-N 441.509 2.112 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1539013962 OTBCPMQIFOGWES-WBVHZDCISA-N 431.491 2.334 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1539343632 NYIAXFDOJLRURY-ROUUACIJSA-N 448.593 2.168 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1539534179 MVUGSWWQZHAWSM-OAQYLSRUSA-N 444.561 2.131 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540859322 UFGATLVLMDJECN-INIZCTEOSA-N 426.550 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540900239 PAAQZGPOVVPHEV-PGRDOPGGSA-N 446.573 2.239 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)CN(C3CC3)C2=O)CCOC1 1541714537 WRDWNWMJDLRBBX-WQTXXOFMSA-N 430.553 2.068 30 10 IEEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)n1 1542867129 GODFSDBIZYUBGP-AWEZNQCLSA-N 430.559 2.499 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1543315899 PERUXFUSZZGELS-INIZCTEOSA-N 434.470 2.064 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1548335731 NTYTVGRFRGCDLA-IBGZPJMESA-N 446.577 2.010 30 10 IEEE COc1ccc(OC)c(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1554965404 FGWHKHHAAQLFHL-HNNXBMFYSA-N 434.504 2.029 30 10 IEEE COc1cccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)c1 1555032512 AHDVQNKPVAGVHK-IAGOWNOFSA-N 426.521 2.472 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1(C)C 1555171605 KCLDGNRTOGWYSA-OAHLLOKOSA-N 436.438 2.356 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOC 1555557734 BQKRZRBMXYALRH-QGZVFWFLSA-N 436.557 2.405 30 10 IEEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1557541650 BVIPDMUAMTXALQ-RUZDIDTESA-N 435.524 2.483 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)cc1 1557607212 AFNSGZVQEXHXRK-OAQYLSRUSA-N 442.537 2.224 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@@H]3C)c1 1561148669 SBGOELPSYOSXGT-HNNXBMFYSA-N 425.510 2.445 30 10 IEEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1562082128 SDWOFMSZIWASAG-MRXNPFEDSA-N 447.513 2.168 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCOCC1 1587580466 PZEGFNWZFZMAJL-QGZVFWFLSA-N 445.589 2.470 30 10 IEEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587827164 GDLYPIMWWCQBEC-OAQYLSRUSA-N 449.511 2.482 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1588016049 IVFKJSUAFNMOSA-QURGRASLSA-N 434.500 2.070 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588041354 WPLYMAYYCHHOGU-RBUKOAKNSA-N 447.605 2.450 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCN(C)C1 1588595163 NQQXFTKUEUNSCV-QHCPKHFHSA-N 443.617 2.428 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCN2CCSCC2)n1 1588723499 NVCLGHQZSTWFFR-UHFFFAOYSA-N 445.637 2.107 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1588849105 ZIAJFUJYYKIKEV-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCCC2(C)C)CC1 1588929564 CWVBWRIDYCSUMU-CYFREDJKSA-N 443.592 2.427 30 10 IEEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589732049 ZQUZCAONCPYLTK-UHFFFAOYSA-N 447.381 2.494 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1595799084 XBSMTBGZBCALCL-QGZVFWFLSA-N 438.594 2.168 30 10 IEEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)CC1 1611013468 NRXVUKMBRVNCMI-UHFFFAOYSA-N 445.585 2.183 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCSC1 1616957220 AGPQWFZLVJDYEI-NQIIRXRSSA-N 429.546 2.132 30 10 IEEE CN(C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617686728 YZGPQKBJSKGKMR-UHFFFAOYSA-N 446.559 2.387 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)CC1 1620353005 DDBRROVYWMTFIN-OAHLLOKOSA-N 431.447 2.056 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-n2ccccc2=O)cc1F 1629194490 USWZHXAQSDAKPZ-UHFFFAOYSA-N 440.456 2.044 30 10 IEEE C#CC1(O)CCN(C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1633559095 GRTFCKSTCJJSTG-UHFFFAOYSA-N 430.551 2.095 30 10 IEEE CCOc1cccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1637402690 GXZAPZQKAXDISC-GOSISDBHSA-N 433.512 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H](CS(C)(=O)=O)C1 1637415256 BJYMEQIFEJQIBP-LPHOPBHVSA-N 447.557 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)Cc2ccc(Br)cc2C#N)C1 1639423905 WXMYBEXVPAPMHI-LJQANCHMSA-N 438.322 2.351 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)c2cnc(I)c(O)c2)c1N 1640347485 MJSDYSZUNSLRFK-UHFFFAOYSA-N 446.208 2.284 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1644000464 RLXFHXMBRPFXFU-UHFFFAOYSA-N 447.557 2.071 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)C2)nc1 1645084592 AFOIZVAUVJGUGU-MRXNPFEDSA-N 447.948 2.378 30 10 IEEE C#CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 1645543862 LZIUZTQHNILUOE-QGZVFWFLSA-N 429.542 2.408 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cc(-n3ccnc3)ccc2O)c(=O)c1C#N 1648749751 BGCOKCZHYXSJCI-UHFFFAOYSA-N 428.246 2.375 30 10 IEEE CCOc1ccc(N2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)nn1 1660671927 CFVSOSQRKQBXRO-UHFFFAOYSA-N 436.451 2.426 30 10 IEEE C#CCC1(NC(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)CCOCC1 1661870572 YTSLMLVRLLSWTE-UHFFFAOYSA-N 436.354 2.290 30 10 IEEE C=CCN(Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1663845705 ZJPLMVLCTDLAGR-CZUORRHYSA-N 445.379 2.138 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OCC 1664947257 KVVRTENYJOGZEP-GFCCVEGCSA-N 430.331 2.096 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)c(C#N)cn1CC 1678537108 HHJAXHMIDKNXSK-LJQANCHMSA-N 428.493 2.267 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CCO2)cc1 1680526243 DNHCMZHLEMKSPU-IRLDBZIGSA-N 434.496 2.321 30 10 IEEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685598624 WICXCJOYIDNAPY-GSVIPDFHSA-N 434.558 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(CC)cc2)CC1 1690144397 XPQBJQOTQUEGSG-OAQYLSRUSA-N 448.571 2.000 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(C)C)CC1 1690150822 WVKROHRPMJMJAR-UHFFFAOYSA-N 428.581 2.049 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690296922 XJNSEABQGFWLBE-QGZVFWFLSA-N 426.521 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCOCC3)n2Cc2ccc(C#N)o2)C1 1691284755 PKXYTNIYFJWJFL-GASCZTMLSA-N 428.493 2.398 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H](OC)C(C)(C)C 1698060410 FIRXAMSANKRZNC-QGZVFWFLSA-N 432.525 2.433 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccn(C)n1 1705619150 ITHXKGALIWWCBC-UHFFFAOYSA-N 444.474 2.486 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C1CC1)N(C)C 1705628506 JBDPEVZRTDZVCV-NQIIRXRSSA-N 425.533 2.217 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705656013 OMUMAYWNMOMICX-RTBURBONSA-N 428.558 2.234 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCn2cccn2)nnc1[C@]1(OCC)CCOC1 1705708638 FJOMQJFTWLODTK-IPJJNNNSSA-N 430.553 2.244 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1705717523 MAEYQOBQTJMPPH-SJORKVTESA-N 432.546 2.423 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CCOC)c2)CC1 1705779946 CCIBRZDJGTUEJF-UHFFFAOYSA-N 436.520 2.219 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1CCS(=O)(=O)CC1 1705882655 FHKSOIFSVPFBLL-UHFFFAOYSA-N 439.969 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)[C@H]1CC 1705896736 WQAJFEPHJXHSSB-GOEBONIOSA-N 442.589 2.148 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOc1ccccc1 1706622697 VVEFWGOOWRYQIQ-LJQANCHMSA-N 437.548 2.062 30 10 IEEE CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)cs1 1709000339 CJYFBTSQMQCKAS-UHFFFAOYSA-N 439.545 2.472 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1722311308 FAIMOXNQUASDQB-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1722432466 XZIJCANFNOSFCW-UHFFFAOYSA-N 436.486 2.252 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CCCO)CC1 1722502439 IQNNUBBIPPASCO-DENIHFKCSA-N 431.581 2.371 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722688332 BSLKSGSYWYNGLW-CVDCTZTESA-N 425.533 2.118 30 10 IEEE C=CCSCCn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1722740667 YMSZYNCGLODSGF-IEBWSBKVSA-N 434.654 2.484 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@@H]1C 1722865308 GNMIFFUENWSGPK-SJORKVTESA-N 426.521 2.033 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1724004801 OFAWSKLCPUQQTK-KSZLIROESA-N 445.495 2.482 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)CC 1727004965 CFUSBSWQSQPALN-QGZVFWFLSA-N 430.578 2.425 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@@H]1N1CCOCC1 1727795493 ZSQMCFXZTAFZGP-UZKOGDIHSA-N 437.592 2.314 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1729999204 DYLLBDTUHPDYTI-CVEARBPZSA-N 433.896 2.141 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)OC 1730876813 VDVVEBWBHKTLIC-HLIPFELVSA-N 429.521 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1740534377 HEHQJDIEVZKQFJ-ROUUACIJSA-N 442.539 2.179 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740628963 XJYOVURPSYCMAC-VQTJNVASSA-N 428.558 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCNS(C)(=O)=O 1740648172 GDVUOHDORRHQPV-UHFFFAOYSA-N 437.928 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(F)(F)Br)CC1 1740706708 ZXZANDICLVWCHU-UHFFFAOYSA-N 430.297 2.499 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1740713865 SMUGLHDAIDSJGI-UHFFFAOYSA-N 427.530 2.399 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740715230 FSYGGGOTMZGZEL-UHFFFAOYSA-N 436.467 2.490 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1)C1CC1 1740910386 NLYGKCVEQJAUDI-GOSISDBHSA-N 443.573 2.073 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1740953448 GOWJKASNRXABDH-HUUCEWRRSA-N 429.521 2.365 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2C)C1 1740963251 FPUBJMAQFHCXDQ-NRFANRHFSA-N 449.559 2.328 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1740979148 HKJVAFCTQQLMDH-RBUKOAKNSA-N 446.573 2.405 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCCNS(C)(=O)=O)C1 1741984483 RJXZBDVYUUZQTL-HXUWFJFHSA-N 434.541 2.077 30 10 IEEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1(C)C 1743374601 CLZWLLIQKDJTCJ-RDJZCZTQSA-N 429.546 2.255 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1 1747426521 ANHYCEWSPFAWQY-UHFFFAOYSA-N 436.607 2.342 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1749054053 OKRHIPPNSQMMTM-DYESRHJHSA-N 436.626 2.002 30 10 IEEE C=C(C)Cn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OCC)CCOC1 1749207954 WDOLXGIRDAKPTF-IERDGZPVSA-N 449.577 2.351 30 10 IEEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1749582730 OLYPIWZWNLFEKF-JOCHJYFZSA-N 446.573 2.202 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCN(C)C2)C1 1749717076 GMVYDQHNPUFHAJ-YKSBVNFPSA-N 441.576 2.322 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccc(O)cc1 1750026194 FVAVFXQCJMVSMT-YLJYHZDGSA-N 440.548 2.127 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCOC 1760095425 OIJWYDXONSVRQF-SFHVURJKSA-N 425.533 2.354 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCSCCCO 1760113972 ZWWLEHNDQQNGSZ-QGZVFWFLSA-N 429.594 2.026 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760138360 WXHWFOFOEVBKQO-SFTDATJTSA-N 442.608 2.109 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760186774 GIYXVDBEUWJEPQ-ROUUACIJSA-N 431.562 2.068 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCOCCN(C)C 1760195924 LTEWNCVUKDCQCD-UHFFFAOYSA-N 448.340 2.498 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1c(F)cccc1F)N(C)C 1760208554 FLSTYSJTLXZUGH-IBGZPJMESA-N 442.514 2.460 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C2CC2)N(C)C)CC1 1760252856 XHHAOXHCLUDPAV-JOCHJYFZSA-N 449.603 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2nccs2)CC1 1760271967 TUWOQJBYQRUJPS-UHFFFAOYSA-N 426.571 2.401 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760276539 HVHWISSLCUNLLH-ZBFHGGJFSA-N 430.965 2.322 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760321278 DNJUJWVRRFNPBT-YLJYHZDGSA-N 439.626 2.318 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760522309 QQYNJPWWXJUELV-GJYPPUQNSA-N 427.505 2.097 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(N(C)C)CCSC2)C1 1760549452 DZHPCYKDZDLFPX-UGKGYDQZSA-N 445.637 2.358 30 10 IEEE Cc1cc(C)n(-c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)[C@@H](C)CC#N)cn2)n1 1762402723 HMLJLWGVVNNPQF-KRWDZBQOSA-N 447.547 2.385 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCO[C@@H]2CCOC2)n1 1762438499 PAAGJSAEPITYLK-LJQANCHMSA-N 427.553 2.465 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)c1occc1C 1763112322 JMJMIUVPIZIUBA-UHFFFAOYSA-N 448.531 2.155 30 10 IEEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764751774 HYOAPNZJZGAPIT-DQRAZIAOSA-N 431.500 2.408 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCCO1 1767087949 KVZXEXIDBLEPEY-VQTJNVASSA-N 438.532 2.323 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1768167475 QMLRJHUVTIHVEK-NRFANRHFSA-N 446.577 2.151 30 10 IEEE O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)ON1C(=O)c2ccccc2C1=O 1772790405 NZILXDKNNLWXLA-UHFFFAOYSA-N 428.466 2.158 30 10 IEEE CSCC[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1772790748 UGGLHFPGEBUWAF-HEHGZKQESA-N 430.482 2.038 30 10 IEEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)CN1C(=O)COc2ccccc21 1849483228 XJRKCTDCROBGQI-UHFFFAOYSA-N 427.258 2.421 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2csc3cnccc23)C1)[C@@H]1CCN(C)C1=O 1857042914 HJZORZXIEIKRBV-MAUKXSAKSA-N 426.542 2.394 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C)CS(=O)(=O)Nc2cccc(C#N)c2)cc1OC 1858111938 XURKQQJJCXNDFU-OAHLLOKOSA-N 431.514 2.312 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862573877 CFAIBMJNEGULHF-YUNKPMOVSA-N 443.452 2.377 30 10 IEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866869016 XQBHVXHOAGWLKR-RTBURBONSA-N 442.541 2.149 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(C)cc3)cc2C1=O 1870141665 DSNZFECFDWOSGL-UHFFFAOYSA-N 444.451 2.332 30 10 IEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870961718 CRXPCRUOSQBBDS-UHFFFAOYSA-N 430.461 2.004 30 10 IEEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 1871280781 OCBDASUHBSSIBJ-UHFFFAOYSA-N 438.874 2.315 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871713288 QVFXHFXVJIISQJ-UHFFFAOYSA-N 448.531 2.107 30 10 IEEE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3ccc(C#N)cc3)CC2)cc1 1872636469 RQMOJMCBMOGSOL-UHFFFAOYSA-N 433.468 2.420 30 10 IEEE COc1cc(/C=N/N[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccc(C)cc1 1873470472 IWCWMPGVGGKZPD-YPKZHZFPSA-N 431.514 2.132 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC(CC#N)CC2)cc1 1892325199 KYDDSGHLCCIPBG-FQEVSTJZSA-N 432.546 2.340 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)C1 2014241923 QWTDISUOLIKPGB-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE C[C@@H](COCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2085661352 WFZLKONYBQAXQS-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE C=CCn1ncc(N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106030679 OVUGPCYSEBHTAG-GFCCVEGCSA-N 429.315 2.240 30 10 IEEE CO[C@@H]1CN(c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2224093776 OYDLTYUIUYVCDM-IAGOWNOFSA-N 433.358 2.418 30 10 IEEE C#CC[C@H](NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(=O)O 2237398763 DWFNIRXXDHNDIQ-LSDHHAIUSA-N 439.306 2.478 30 10 IEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N(CCN)Cc2ccccc2)OC1(C)C 2247962945 SCWBSKRLZDLCPC-UHFFFAOYSA-N 430.379 2.277 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255669986 BXPISIWHUGNKCD-SFHVURJKSA-N 426.322 2.031 30 10 IEEE Cn1ncc(C(=O)N(Cc2ccccc2)C2(CO)CCC2)c1B1OC(C)(C)C(C)(C)O1 2255829788 VOVZYDUJVBOABS-UHFFFAOYSA-N 425.338 2.277 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2256678672 PRPMGZQIWKPGGR-UHFFFAOYSA-N 432.326 2.466 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267004988 JTIASMVCNSIXDT-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)C2 2267090851 FYCIUGFTVLPGRG-KGLIPLIRSA-N 447.345 2.127 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267092395 NISVKOVVMYZETQ-DZKIICNBSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267092622 ONMIOPBIFPBHDI-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267196272 OKQLEJVZSSPWEW-FVQBIDKESA-N 446.357 2.084 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267263438 FYEOQDWPHSYOLS-IAGOWNOFSA-N 443.353 2.318 30 10 IEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267513309 MYCTWRUTVHCUFX-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267525408 DAALAYXLDQMEKV-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268636619 FSJDTHBDVWYLGL-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268641042 LEAGBZOOAWULAV-KRWDZBQOSA-N 448.369 2.268 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2268642244 DKDIRSLWALGLDQ-UHFFFAOYSA-N 440.349 2.399 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2268643881 MFNIJVBAEYWWMW-UHFFFAOYSA-N 446.353 2.462 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2301371409 FSRAIBMEDBWZMR-UHFFFAOYSA-N 441.765 2.358 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315644645 OAFNYONNHGEVLV-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE COc1cc(Br)cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)c1O 2323435538 JIEFAUUISKTBHI-UHFFFAOYSA-N 442.247 2.323 30 10 IEEE C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=O)C1CC1 36030431 DUFQAWYKOHTCGB-UHFFFAOYSA-N 447.557 2.437 30 10 IEEE Cc1ccc(OCC#CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 90742568 VJBWYUJXEVTJLP-UHFFFAOYSA-N 427.526 2.377 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCNc2ncccc2C(F)(F)F)cc1 108480274 NPOMOHPYHXGVPF-UHFFFAOYSA-N 426.420 2.115 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 109894732 XNTRBDWTYXKZCY-IBGZPJMESA-N 448.504 2.361 30 10 IEEE COc1cc(/C=C2/Oc3cc(OCC(=O)N[C@H](C)CO)ccc3C2=O)cc(OC)c1OC 208873195 JBNWJKQQRJXENN-BPGOPIFBSA-N 443.452 2.204 30 10 IEEE COC(=O)c1ccccc1NC(=O)COC(=O)CON=C(C)c1ccc2c(c1)OCO2 254408418 VLWJIRPSWLIDCV-UHFFFAOYSA-N 428.397 2.124 30 10 IEEE COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)cc1 409481104 ZLMNOPKAIFBQBT-CQSZACIVSA-N 440.485 2.300 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1=O 440277306 YAGZBGZGFRYJDM-ZDUSSCGKSA-N 433.814 2.465 30 10 IEEE COc1cc(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)ccc1C#N 460607676 OSXSOPPFERIRNF-UHFFFAOYSA-N 428.242 2.242 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cn1 462098014 BHDPVIXNRQLTMZ-UHFFFAOYSA-N 434.479 2.222 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1C#N 489463933 JEVDFPIIDRJAES-QFIPXVFZSA-N 434.521 2.468 30 10 IEEE CCc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 498546051 XYMPTSPVHPPGCC-LJQANCHMSA-N 431.489 2.404 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CC1 503627883 KXRCFMNOURMYOL-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)N[C@H](C)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506892006 GCAONVZXWYRESO-NQIIRXRSSA-N 449.559 2.184 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4nc[nH]n4)c3)CC2)cc1 511963886 GZFIVBDOWSSUOA-UHFFFAOYSA-N 436.497 2.383 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)CC1 522309903 MXSNPDUQHNTHDK-FQEVSTJZSA-N 436.000 2.352 30 10 IEEE COCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 539592741 BCRLUEZTADQLRX-UHFFFAOYSA-N 425.489 2.035 30 10 IEEE C=CCNC(=O)CNC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 540757332 PCPXNYYMVHKHCW-IBGZPJMESA-N 437.468 2.059 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)CC2)n1 544843574 WDNQZKRMESANCO-UHFFFAOYSA-N 426.420 2.405 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCCC1 546801463 OCHCCDZFXXTYLC-UHFFFAOYSA-N 431.967 2.060 30 10 IEEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)CC2=O)cn1 549136071 MHFVPJBCNUDREG-UHFFFAOYSA-N 438.495 2.452 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)ccc21 554595397 SWRDKAHOSGINRU-UHFFFAOYSA-N 431.496 2.403 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccn2)c1=O 603798709 FGGVDTPICOSUAI-UHFFFAOYSA-N 442.500 2.015 30 10 IEEE C[C@@H](O)Cn1c(N/N=C/c2ccc(OCc3ccccc3)cc2)nc2c1c(O)nc(=O)n2C 606631139 VLUWWUOOWMZDJR-ZIFAQYRBSA-N 448.483 2.241 30 10 IEEE COc1cc(N2C[C@@H](C(=O)NCc3ccc(C#N)cc3F)CC2=O)cc(OC)c1OC 609228751 FCIHNKUNAHRWCG-HNNXBMFYSA-N 427.432 2.392 30 10 IEEE N#Cc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(F)c1 729833009 YYGJICBNFYWLPS-UHFFFAOYSA-N 426.473 2.175 30 10 IEEE N#Cc1ccc(NCCNC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)nc1 731401068 KPPJNEQZZJTLHW-KRWDZBQOSA-N 429.502 2.140 30 10 IEEE COc1nn(C)c2nc(C)c(CCC(=O)NS(=O)(=O)c3cc(C#N)ccc3C)c(C)c12 734292444 ONYXQADHYBBBDD-UHFFFAOYSA-N 441.513 2.212 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 739854118 LYAVCEFEIILFBC-PGRDOPGGSA-N 435.576 2.395 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 751336397 HWFBSCWDFWKQIA-CYBMUJFWSA-N 444.351 2.092 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1-c1ccccc1C 752195570 YKUKGPVCNDUFNM-UHFFFAOYSA-N 438.578 2.256 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@]2(C)CCCO2)C1=O 756072832 XDCOIORKRQHWLN-UTKZUKDTSA-N 436.553 2.394 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nc(C)c(C(=O)OCC)s2)c1 757006366 FLUZTIILJSPIOO-CYBMUJFWSA-N 435.527 2.031 30 10 IEEE O=C(NCC#CC(=O)N1C[C@@H]2C[C@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470539 HWJFXGRIGZAYPQ-LMKMVOKYSA-N 430.460 2.462 30 10 IEEE CN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1COC[C@@H]1C(=O)O 757486763 QXHIQJFNPXMCGV-VXKWHMMOSA-N 448.475 2.087 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765546155 VWYHLFWJHGPAFZ-LJQANCHMSA-N 442.589 2.318 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 774166459 ODNHZLBXJZRHOC-JQVVWYNYSA-N 431.602 2.496 30 10 IEEE Cn1c(O)nc2ncc(-c3cccc(C(=O)NS(=O)(=O)Cc4ccc(C#N)cc4)c3)cc21 777285946 PVVWRZUWCCPDPX-UHFFFAOYSA-N 447.476 2.472 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 780213682 IIWGJFCOPMGALP-GOSISDBHSA-N 445.357 2.373 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 790307675 UNEBXCQVOXYLQY-DEOSSOPVSA-N 448.608 2.345 30 10 IEEE Cn1nncc1-c1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccnn1-c1ccccc1 794844636 TZERFOZIWSHWOZ-SFHVURJKSA-N 434.529 2.493 30 10 IEEE C#CCC(CC#C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 803701051 JHGQFBNVPBZKCK-UHFFFAOYSA-N 426.494 2.130 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 804672926 VILUUAGSQYYURS-OTWHNJEPSA-N 431.533 2.466 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(OC)c(OC)c1C 807915646 FUMZWMZZZUURME-CYBMUJFWSA-N 430.534 2.489 30 10 IEEE C=C(Br)COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808653938 IPLQVTSCHJZRGR-UHFFFAOYSA-N 447.351 2.087 30 10 IEEE CC[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F)OC 809941872 LHQFYPFXBDGHAB-YOEHRIQHSA-N 442.532 2.389 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 811947186 WMEPHEUAMNRFHA-CVEARBPZSA-N 428.938 2.459 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)c1ccc(F)cc1 812748600 WAYIEMBTYBHEIP-SFHVURJKSA-N 434.489 2.392 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 918804400 JBPSJHOGYNFHPX-UHFFFAOYSA-N 441.937 2.046 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3C)n(C[C@@H]3CCCO3)c2=O)cn1 1116812896 KYWBVIBVUOFXLQ-SFHVURJKSA-N 446.532 2.080 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cc1 1134507290 RCTTXLORVIICHR-NHCUHLMSSA-N 443.463 2.235 30 10 IEEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1147283880 WHDDSEPKPDHNKQ-UHFFFAOYSA-N 441.956 2.047 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c1N 1157287705 AXLJRWRTRRSACZ-UHFFFAOYSA-N 443.511 2.394 30 10 IEEE CCOc1ccc([C@@]2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2(Cl)Cl)cc1 1180999752 FCOQJVJQDSZMHB-LJQANCHMSA-N 449.294 2.118 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)NCc2nc(C#N)cs2)cc1Br 1251295358 FAFRINUANRTSBP-LBPRGKRZSA-N 439.335 2.436 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cccc(C#N)c1C 1256652079 AGPPSTHYAAPZCK-AWEZNQCLSA-N 445.497 2.310 30 10 IEEE C#CCCCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286335335 POUHMZMLRSWUOC-CVDCTZTESA-N 429.565 2.323 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286380032 AXNLGJBFNKDPBK-QGZVFWFLSA-N 441.429 2.329 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1286395615 SEEPCIHCWJAWHU-PXNSSMCTSA-N 442.541 2.384 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1286399400 GDRDCIMVTUZACA-SJORKVTESA-N 430.505 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1286402538 FYFGXFFKCGJIOL-HOYKHHGWSA-N 438.528 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)C2CCCC2)CC1 1286495381 ZTSUVKQURGAVCG-FQEVSTJZSA-N 442.608 2.012 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1)C1CC1 1286734825 WYIDGYLZBRYCBX-UHFFFAOYSA-N 435.326 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C)C1 1286783250 IEYTVWKYIPDFDW-MRXNPFEDSA-N 429.521 2.270 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 1288143340 JYEJKHMLSWFGHV-LJQANCHMSA-N 438.553 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1300319297 AATWENUKGKIZNT-MSOLQXFVSA-N 436.560 2.435 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(CC)ns2)CC1 1300381807 JAEQZJGWVURWSH-UHFFFAOYSA-N 444.609 2.350 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300417242 QTQGVURWFPKJKN-UHFFFAOYSA-N 437.592 2.058 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1300487104 GCVBSKDAFFZUTC-INIZCTEOSA-N 429.571 2.215 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300495120 DAFBVXNRIAVOMF-CMKODMSKSA-N 434.606 2.475 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1300499015 OPLYJTLWEAWMRQ-KRWDZBQOSA-N 434.537 2.060 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300501581 MHFJDMJBLQOPRO-VQTJNVASSA-N 428.558 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1300725507 HOGKLNNILYTZDB-HXUWFJFHSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)CC1 1300741455 XHJDEGKNKBVZCS-UHFFFAOYSA-N 434.363 2.400 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)CC1 1300770800 ZJAXDSONHZXSHZ-UHFFFAOYSA-N 429.546 2.420 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1300973451 XDZJUIUSCVQYPI-MRXNPFEDSA-N 438.525 2.385 30 10 IEEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301062007 ZZLUMOPAEQDAKE-RTBURBONSA-N 425.917 2.102 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301188785 NKHSDQLMYXLKOU-MSOLQXFVSA-N 435.594 2.128 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSCC1 1301249396 TZKOAESONNJSKZ-UHFFFAOYSA-N 436.607 2.384 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)CCO1 1301404172 CWXCZBKXSJOAQM-LJQANCHMSA-N 438.488 2.234 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1301484345 FSAXGPXDEUAGGC-HOTGVXAUSA-N 431.562 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301492656 MLTGMRZMIMXCHZ-QZTJIDSGSA-N 441.532 2.412 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)C1 1301686451 HHLQGZNITPLBSD-RDJZCZTQSA-N 443.577 2.124 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC2CCOCC2)CCO1 1303003065 BRBYVYDGBGLIOX-KRWDZBQOSA-N 447.486 2.462 30 10 IEEE COc1ccc(Nc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)c(OC)c1 1304270001 BIWZIWSUOFZMJR-KSFYIVLOSA-N 441.509 2.458 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1 1305116001 AOYHGZDSWGYPPX-KRWDZBQOSA-N 431.500 2.033 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(=O)(=O)CC 1305572700 VWGRWLZKMGOMKU-UHOSZYNNSA-N 430.578 2.474 30 10 IEEE Cn1ncc(Br)c1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1313142565 BSUSBLGOZUIFLU-UHFFFAOYSA-N 431.338 2.472 30 10 IEEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)ccc1OCCO 1315319453 UIDXTNVBQIQOGO-WMZOPIPTSA-N 429.521 2.338 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1OC 1315403429 SKMVNUIBPRZUQI-IERDGZPVSA-N 431.468 2.210 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1F 1315507366 RUUKHHKMIVZVSQ-HTAPYJJXSA-N 445.495 2.243 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358885923 UJTGQKTVDAAPTE-QYZOEREBSA-N 436.539 2.453 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCOCC1 1358889202 YZAWUXUAKDANCU-KRWDZBQOSA-N 447.580 2.392 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358961730 DNCXWDJRQNUULU-RDGPPVDQSA-N 438.594 2.208 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cnn(C)c1 1358999433 QYNJCZTVSIERQZ-GOSISDBHSA-N 426.569 2.059 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2cccc(F)c2)CC1 1359028331 OGAATEMFXRXUCK-UHFFFAOYSA-N 438.551 2.386 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1359070847 WMPFHCXEBPTJAU-PSHVLCQKSA-N 433.622 2.293 30 10 IEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359206117 VBMWIBAYJSJELF-FQEVSTJZSA-N 441.580 2.324 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)C(C)C 1359264450 GDPNDOMYEHAXEC-VQTJNVASSA-N 443.596 2.052 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1359291114 FIMVWHWEYDGCDO-CALCHBBNSA-N 426.521 2.063 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1359321040 ZCSYLKGMRWBZNK-PMACEKPBSA-N 433.597 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1scnc1C 1359333550 BEFUCMFKLMWWNB-UHFFFAOYSA-N 432.575 2.266 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1436926113 CKQUBZDONALZDL-DNUAJFIVSA-N 442.965 2.459 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2C1=O 1462257862 UGLOBGXZKIQVCQ-CQSZACIVSA-N 426.494 2.406 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1nc(O)c(C#N)cc1C)Oc1ccc(Br)cc1 1467919007 HJNFKGNBEPQYHJ-CQSZACIVSA-N 434.246 2.080 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc3c(C(=O)OC)cccc23)n1 1475261413 KYLQTECDOOYFGA-UHFFFAOYSA-N 441.509 2.293 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1478821649 GJEUQAGYIKYPEX-QHCPKHFHSA-N 449.555 2.131 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCc4c(CC(N)=O)cccc4C3)CC2)c1 1478902762 ZPHOYQSBZUEOKL-UHFFFAOYSA-N 431.540 2.318 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3cccc(F)c3C#N)CC1)CCO2 1479302284 FEEJSYDWYIHFMS-JXORXQGFSA-N 430.480 2.030 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOCC(C)C)n1 1492753201 PSSGQBBSNLZUQV-NRFANRHFSA-N 440.596 2.379 30 10 IEEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1499507997 HAQDQJFDNZYPJM-KRWDZBQOSA-N 446.577 2.294 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS1 1502212741 HIKIPAXPXYJHPR-GOSISDBHSA-N 449.602 2.495 30 10 IEEE COc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c(OC)c1OC 1504241255 GQDZELKLLFJKSG-GOEBONIOSA-N 442.520 2.236 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507564803 XCDDLTHHJCLSHM-APWZRJJASA-N 430.530 2.217 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1507628481 HSVHPBPWCIGGII-MRXNPFEDSA-N 427.555 2.271 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccco1 1507710353 FJKSHOYNAQCYPJ-SFHVURJKSA-N 445.520 2.314 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1507812466 MANQSXRYYLQETM-AWEZNQCLSA-N 425.530 2.487 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1508011391 RCSCGZNHTIAKRY-NJYVYQBISA-N 444.624 2.420 30 10 IEEE CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1508686850 NDCDUEMWCRTZRV-GOSISDBHSA-N 446.577 2.150 30 10 IEEE CC(C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508728691 BYDLQQMFRQBPHR-UHFFFAOYSA-N 431.544 2.427 30 10 IEEE CC(C)(O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1508739174 VSWAGCKPCSTLRQ-UHFFFAOYSA-N 435.507 2.372 30 10 IEEE CCCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514535614 BEVVVPVDKXAJGH-UHFFFAOYSA-N 449.563 2.397 30 10 IEEE CC[S@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1516852661 CYDBVQOVJGEOHW-VDBVYFBLSA-N 427.372 2.411 30 10 IEEE COc1cccc(OCCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1518416070 DXEIPGZAMVEJGZ-KRWDZBQOSA-N 448.531 2.441 30 10 IEEE COCCOCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1519394756 QHXMLKFKFLAHEY-GOSISDBHSA-N 437.504 2.117 30 10 IEEE C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])C(C)(C)C 1538270182 WYWCDZSKZKTYSW-UHFFFAOYSA-N 425.507 2.264 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1538974014 QPXVDJUHFAZQSE-STQMWFEESA-N 425.555 2.256 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1539237537 FXIGHVXMGYWELR-HYBUGGRVSA-N 436.560 2.474 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C1CCCCC1 1539392469 SAXUFRJEPVUMNH-NRFANRHFSA-N 442.608 2.397 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(C)(C)C)CC1 1539467194 OLUQXRXGNMMHQY-UHFFFAOYSA-N 428.581 2.306 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539498073 SCUBWLMSAQCBTQ-GOSISDBHSA-N 434.587 2.334 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539640427 HQZSQJZCMZNPPX-WIYYLYMNSA-N 445.568 2.200 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1540005782 OCSIFZXDUPVUOK-GJZGRUSLSA-N 433.525 2.059 30 10 IEEE CO[C@]12CCC[C@@]1(C(=O)NCCCc1nn(-c3ccc(F)cc3)c(N)c1C#N)CCO2 1540746703 FSVBDXHZJPUCDU-VXKWHMMOSA-N 427.480 2.447 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541115593 BPGLISBZXDKDHO-YRXWBPOGSA-N 444.559 2.114 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1=O 1541558362 FXAYCIHOLQBWKN-UHFFFAOYSA-N 432.475 2.403 30 10 IEEE COc1cccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)c1 1548368148 YJMHKCDMJZIZPY-SFHVURJKSA-N 432.402 2.402 30 10 IEEE COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)ccc1C 1554748208 CCKSCWOBJOPKIR-HOTGVXAUSA-N 434.566 2.186 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1555267571 WDBZDCHPCMONGH-FUHIMQAGSA-N 430.528 2.347 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1555985047 HEEFYOHTPXKSMV-FZKQIMNGSA-N 438.916 2.260 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C2)nc1 1558464738 MLIODUTYMGXGIF-BOSXTWCSSA-N 428.562 2.082 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1562949513 JWIGGMKSINJUMY-CQSZACIVSA-N 434.459 2.003 30 10 IEEE C=C[C@H](CO)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1585421934 QEOLBRYNZJXIGB-BFTHVDOESA-N 427.345 2.313 30 10 IEEE CN(CCCC(=O)N1CC(Nc2cccc(C#N)c2)C1)S(=O)(=O)c1ccc(F)cc1 1586074428 UKTUPIWECWYEMG-UHFFFAOYSA-N 430.505 2.421 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)Cn3cnc(-c4ccccc4)cc3=O)c2C#N)C1 1588070390 QUEIZEOQBDFYLO-UHFFFAOYSA-N 433.493 2.387 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCOC 1588088669 AMLNUUZNSCADIV-UHFFFAOYSA-N 428.562 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCOC 1588170694 MCYLYTCBEQFDRJ-UHFFFAOYSA-N 449.555 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)(F)F 1588173792 KNFARLGXZWUWIQ-UHFFFAOYSA-N 448.449 2.264 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N(C)C1CC1 1588228580 HKKMEFXHNQLEBQ-FQEVSTJZSA-N 446.603 2.398 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CC2(CCOCC2)C1 1588581320 NLKNZDAHYWWLMT-HSZRJFAPSA-N 432.565 2.223 30 10 IEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCOC1 1589316398 BGQSOLJJDPXKLF-CQSZACIVSA-N 441.351 2.482 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1593871971 ADFAZAUFOXUITM-CQSZACIVSA-N 431.884 2.217 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1594552418 NGMHAGRBJONMED-HXUWFJFHSA-N 436.560 2.462 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1595185241 RZBHDPAWHZHPTQ-LJQANCHMSA-N 435.370 2.291 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1595570081 WUBZKHGJCLIDLZ-AWEZNQCLSA-N 444.486 2.105 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1595699410 DDLKYCGSZMNMAH-SFHVURJKSA-N 427.530 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1595772595 DWGPOAOVMUVJAY-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(F)(F)C1 1595806047 ZTVRIQDZGBNWGA-MRXNPFEDSA-N 440.472 2.237 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)nn1 1598174480 JZLSDCCWMFWCHG-HOTGVXAUSA-N 447.561 2.069 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1608242333 CYQDUKMMWNYRFY-UHFFFAOYSA-N 437.548 2.231 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O 1611292349 MRXXPMFODIKZSR-AWEZNQCLSA-N 425.942 2.398 30 10 IEEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1612449367 DBGIPPBYZZQXBM-JKSUJKDBSA-N 441.561 2.280 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613113100 ALHPNHGHMHXNTR-GEQKSPFYSA-N 439.564 2.172 30 10 IEEE Cn1cccc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1618443475 JHLKTMJCWSDXDR-UXPDKRSESA-N 445.474 2.292 30 10 IEEE COC[C@H](F)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619626381 RXCNKBUVACDURQ-IEBWSBKVSA-N 428.512 2.061 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1619818260 XPHQVUJVAYTCRH-OAQYLSRUSA-N 429.546 2.258 30 10 IEEE COc1ccc2c(c1)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1624786173 RDHQFYBBFLWDBW-QGZVFWFLSA-N 429.498 2.154 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1625650971 XFZFOMZCDNKFHF-SFTDATJTSA-N 425.526 2.390 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1626974385 GEJRDHCNDFOYAJ-ZBEGNZNMSA-N 429.336 2.211 30 10 IEEE C=CCCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1632307857 SUDPOQZCRFIBRV-PMPSAXMXSA-N 432.608 2.082 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814593 ZJEKITCRIDUKRE-UHFFFAOYSA-N 449.573 2.135 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)C1 1638203364 NTQKJSWZSRBQMZ-SIRPWMCASA-N 434.537 2.365 30 10 IEEE COCCN(CC#N)C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1638472092 QUKWTJKEEUWWJI-UHFFFAOYSA-N 432.340 2.138 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1 1640286695 AENMMEUGDXPJKP-CYBMUJFWSA-N 430.486 2.214 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCC(C)CC1 1641724595 LYNCFHPJDZAFGV-IBGZPJMESA-N 449.617 2.458 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(CCO)(CCO)CC2)C1 1642695154 GWPJOXHESLCEPH-UHFFFAOYSA-N 436.350 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3snc(Cl)c3C#N)CC2)CC1 1642957807 JPHBVSJWNPBYBO-UHFFFAOYSA-N 440.957 2.463 30 10 IEEE CCOC[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 1644093585 DDGGTOQBFJRTKY-ZWKOTPCHSA-N 430.549 2.093 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nn(C)cc1C(F)F 1648957580 VTICNNCUIIMHNT-CQSZACIVSA-N 439.488 2.271 30 10 IEEE C=C[C@@H](COC)NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1680389385 KYTNLXKSXPUCKE-IRXDYDNUSA-N 426.558 2.077 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)C2)nc1 1684223206 QGNMEHIMAUAZSB-PKOBYXMFSA-N 425.514 2.209 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnccc1OC 1689846473 KMCCLCJYZZMAKW-OAHLLOKOSA-N 439.545 2.148 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1689946399 QPAKXENXJQFETB-GOSISDBHSA-N 445.589 2.015 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCc1nnc2n1CCCCC2 1689975369 UBKIILQSMSGUOW-UHFFFAOYSA-N 435.532 2.496 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689980398 QYMZRMVXRKQYKA-QUCCMNQESA-N 441.601 2.479 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1689991690 BDZOMHBGNDRSLS-KRWDZBQOSA-N 436.578 2.388 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689994166 SIYCFEKLUCDYBJ-WOJBJXKFSA-N 433.622 2.122 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690159740 LBABZWQEDWVWLZ-JKSUJKDBSA-N 429.458 2.334 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690227656 DQGJTYYJEFUWRX-DCAQKATOSA-N 438.248 2.294 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 1690235877 FTWLXSCDMUQEQA-AZUAARDMSA-N 446.596 2.236 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690676076 OZWUFOONRGDVHN-UYAOXDASSA-N 425.533 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1690715533 NSSSDCNIZWQEPE-DLBZAZTESA-N 447.609 2.314 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1(=O)=O 1694087775 XRSGZYIWPADAEP-YOEHRIQHSA-N 444.561 2.294 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C2CC2)c1 1697306882 FAJCJTVZKPWGNK-YWZLYKJASA-N 426.521 2.174 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705532631 PNMVNQSJTGZASY-ROUUACIJSA-N 444.580 2.473 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)COC 1705590451 LRGUJGJAOMEPAH-KRWDZBQOSA-N 442.589 2.292 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nncn1C 1705593209 JTWUHDPZKZWVIS-UHFFFAOYSA-N 442.296 2.486 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1705608491 UCGZKIZCCXEDHY-IBGZPJMESA-N 436.329 2.373 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)N(C)CC 1705622556 LOXDHILAYALDTA-UHFFFAOYSA-N 434.338 2.272 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2csc(COC)n2)CC1 1705640911 KCVPHRIRRRZKMY-UHFFFAOYSA-N 440.548 2.414 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1705877567 AHYRPCGMMFTKSA-UXHICEINSA-N 425.533 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705930798 WBCDBGWERWTWAY-MRXNPFEDSA-N 441.598 2.448 30 10 IEEE CC(C)OCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1706703269 CJGRSXCVAIZQLX-MRXNPFEDSA-N 434.566 2.359 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C 1710896639 YZXJFKGCKCREQU-INIZCTEOSA-N 432.550 2.047 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCC(=O)N1 1712452601 YKTNPLYAIFAZJQ-QGZVFWFLSA-N 433.516 2.447 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C[C@H]1C 1712478650 DMKQAYLHWWKOKC-QGZVFWFLSA-N 434.548 2.064 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722344755 BFKJYQONYXXJFW-WOJBJXKFSA-N 438.557 2.090 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1722350074 KVNQNLZBUFNOHY-UHFFFAOYSA-N 435.532 2.220 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1722350480 BALOYDPHFOEQNI-ZHALLVOQSA-N 447.630 2.394 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccsc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722366444 RSYYIOLSIBAKLF-RBUKOAKNSA-N 435.619 2.358 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(Cc2ccc(F)cc2)CC1 1722373056 IEXCVOKYFPKKOK-KRWDZBQOSA-N 443.548 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1 1722397844 VNCNWCALADPMIQ-RDJZCZTQSA-N 431.587 2.212 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722534737 QOBNYWXSUJONQB-UHFFFAOYSA-N 436.582 2.116 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722548903 VVRKLNKHJVKKPB-DNVCBOLYSA-N 431.972 2.025 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1722657560 FYKGZYXROWZJPU-NRFANRHFSA-N 438.576 2.269 30 10 IEEE CC(C)CSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1723507821 WDEDVYUHCUUWFF-HNNXBMFYSA-N 428.628 2.408 30 10 IEEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1726536752 AEGUZGLECNHTNQ-KSFYIVLOSA-N 443.573 2.381 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1728120357 CDQZHXVEDKHRFF-QUCCMNQESA-N 442.589 2.172 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)(C)C 1729875930 FSUUIQGETXCVSG-UXHICEINSA-N 440.548 2.219 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)C[C@H]1OC 1730993272 CKEVNYAGAOXRGC-KDURUIRLSA-N 429.521 2.394 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)Br)CCN1C1CC1 1731188266 DCEPUDWZICQNBJ-JSGCOSHPSA-N 445.312 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(C2CC2)C1 1740657951 DGHGSAVKXNXSJM-GOSISDBHSA-N 436.585 2.217 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CSCCS2)CC1 1740696847 IDUADFRUOUHKMM-IBGZPJMESA-N 443.642 2.481 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CC(N)=O)C1 1740713730 PJEPMVARLBMZRY-INIZCTEOSA-N 443.573 2.421 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CC(N)=O 1740758030 YVPGYQBSNZAQBW-UVFQYZLESA-N 427.505 2.355 30 10 IEEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740787200 CNUQEUXVTOTPLY-UXHICEINSA-N 427.549 2.364 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740792039 SZOAHSXZJTZVNJ-NQIIRXRSSA-N 426.565 2.398 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1 1740796920 IBMJUSIWRQLSTI-IBGZPJMESA-N 437.548 2.170 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(CC)CC)nc2)CC1 1740818812 VSOSIVMCOMVTNM-QGZVFWFLSA-N 447.609 2.334 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(=O)(=O)NC)CC1 1740836996 VICYYCOSNAQMEV-UHFFFAOYSA-N 441.561 2.287 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccs2)CC1 1740887007 ZSISHAPRUPPYTR-UHFFFAOYSA-N 430.578 2.381 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1740963923 AXNARLGOWBSTGT-IBGZPJMESA-N 426.565 2.307 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2COC)C1 1740984292 ZIPAXULQJDUUDU-FQEVSTJZSA-N 425.533 2.377 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCOC1 1748876717 QRHHAQWRRQVDCP-DEOSSOPVSA-N 438.528 2.355 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@H](C)C1 1748957111 UYPQLCHSBXROTI-HXUWFJFHSA-N 436.560 2.404 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(OC)c2)CC1 1748993270 STGOEUCDELGERU-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C)CC1 1749115195 NDBYNYVLSQXFPS-OAHLLOKOSA-N 434.342 2.463 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC)[C@H](C)C1 1749115939 XJOCCYXQBYGNSF-PMPSAXMXSA-N 428.375 2.441 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749231280 LECDAJSEZRLNCD-QGZVFWFLSA-N 427.615 2.225 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1)C1CC1 1749510444 HIMOJGYKKUQJPM-UHFFFAOYSA-N 429.546 2.030 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1760106613 FHQJMWJQJDDXLQ-GOSISDBHSA-N 438.576 2.200 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1760175796 RQEUSYPGQKDNFO-KSFYIVLOSA-N 445.520 2.157 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760184647 XUBSOOYOVHPPFE-OAHLLOKOSA-N 442.488 2.145 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@H](F)C2)CC1 1760264629 ATHYQLGYCGIPER-WMZOPIPTSA-N 446.571 2.301 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760275819 JSJZLVOCARHTSG-FQEVSTJZSA-N 442.501 2.251 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760277606 QCNSFULIBJVOBZ-HSZRJFAPSA-N 436.585 2.484 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCCN1CCCO[C@H](C)C1 1760289677 QQQJMKGLPJZJRX-TXTKFYIRSA-N 433.597 2.495 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760359891 MVDHDFZGDWITDP-KRWDZBQOSA-N 429.525 2.069 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1760696193 FWSXCQNLNMXLTJ-MRXNPFEDSA-N 432.488 2.022 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CC(C)(C)C1 1761235666 HEQKJIPOWHIGAU-UHFFFAOYSA-N 436.564 2.446 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCCO1 1761360293 JSPRDYPKFSQWGE-CVEARBPZSA-N 430.509 2.330 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(C(OC)OC)c1 1767942576 HYSLRENJRPHFFU-FQEVSTJZSA-N 440.548 2.331 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1769386734 COUKSBHFILBQJA-PGRDOPGGSA-N 425.489 2.012 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1769386735 COUKSBHFILBQJA-XMSQKQJNSA-N 425.489 2.012 30 10 IEEE COCCOC1(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1770073638 VZFSEHUTKRVFNR-FXAWDEMLSA-N 437.516 2.174 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C(C)C)N1CCOCC1 1770172463 KSNLAHMQAFXATD-FYQPLNBISA-N 434.585 2.097 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCCCCO)cc1 1770741160 YWZMNJPDXADWMB-LEWJYISDSA-N 441.532 2.276 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1771039894 MBEOZVBDQIASEQ-OAQYLSRUSA-N 449.563 2.218 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1771535993 FZOCGSAMXQDIQT-RBUKOAKNSA-N 430.940 2.174 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772792152 HXSSVVUPZQQQIT-GOSISDBHSA-N 430.482 2.442 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCOCC2)CCOC1 1772844914 VJKUJJQRTWFYSS-QHCPKHFHSA-N 446.596 2.171 30 10 IEEE N#Cc1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c(Br)n1 1852874170 FUIBCFQITCDVBU-UHFFFAOYSA-N 441.289 2.433 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2csc3c2CCOC3)C1=O 1854224869 OPYYVBLCCITATL-ROUUACIJSA-N 431.558 2.061 30 10 IEEE Cc1ccc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)c1 1855809569 IKWOUPYFWNJWBF-QGZVFWFLSA-N 425.510 2.166 30 10 IEEE N#CCC1CCN([C@H]2CCCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C2=O)CC1 1856539127 YJIKODUKLQPVLO-HNNXBMFYSA-N 425.411 2.175 30 10 IEEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@H]1C 1856861782 UVNXFKBAVNELBS-OAHLLOKOSA-N 427.482 2.019 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccn(CC)n1 1857020423 HQOKZLDSCAPPON-INIZCTEOSA-N 428.514 2.362 30 10 IEEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)COCc2ccccc2)C1=O 1857224244 AQZRGXMIIHTGOO-MRXNPFEDSA-N 427.482 2.072 30 10 IEEE COc1ccc(Cc2c(O)nc(=NCC(=O)Nc3cccc(C#N)c3)[nH]c2C)cc1OC 1858534290 DQQNGHXQENXHEB-UHFFFAOYSA-N 433.468 2.443 30 10 IEEE C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(Cc3cccs3)c(O)n2)CC1 1859429646 JXXOXWNHJLBBOJ-OAHLLOKOSA-N 449.540 2.250 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1859555905 NOFLTNLCEFHATQ-UHFFFAOYSA-N 432.498 2.290 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1861807398 WIZCOOYWGAYCRN-INIZCTEOSA-N 428.401 2.160 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862756383 NOAVJPONQJUAHV-BLVKFPJESA-N 440.408 2.325 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3cnc(OC)nc3)sc2c1 1866150245 INUWUUCUOWWGTC-QPJJXVBHSA-N 431.499 2.211 30 10 IEEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870761819 PLAAOUZUZXXWTL-UHFFFAOYSA-N 440.544 2.474 30 10 IEEE C=CCn1c(C(=O)NCc2ccccn2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873594805 CAHNLXWTTUFAFI-UHFFFAOYSA-N 449.515 2.221 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(NC(C)=O)cc3C)CC2)CC1 1889528090 GXDKMPLNFHMKOR-UHFFFAOYSA-N 440.588 2.216 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3SCC(=O)N(C4CC4)[C@@H]3c3cccnc3)CC2)cc1 1892118229 VHXCVQROHAHQGT-PKTZIBPZSA-N 447.564 2.450 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)NCC#CC(=O)O)CCN(Cc2ccccc2)CC1 2009970950 KUGTUPXEQNYYIV-UHFFFAOYSA-N 429.517 2.140 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2010403647 HPBMRLKAUQJDHW-HNNXBMFYSA-N 426.319 2.248 30 10 IEEE CN(C(=O)COCCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060632965 HZLXKTUMNJRJKV-UHFFFAOYSA-N 434.342 2.490 30 10 IEEE CC(C)(C)OC(=O)NC1(CO)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2254803648 USSZFPALRMUPJL-UHFFFAOYSA-N 433.358 2.237 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255540487 NQYHENYGUBGHHC-GOSISDBHSA-N 426.322 2.031 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255629529 XBKBTSWYSKHROB-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2255629982 DESDYFJSDKNKSV-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](C)CCO 2255636910 BCEZKDWCOLZORN-INIZCTEOSA-N 427.354 2.441 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)n1 2255816670 JJZBQQHQSPCKKM-MDZDMXLPSA-N 431.342 2.500 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@@H](C)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256594672 BHYYMBHHGSRZSZ-WFASDCNBSA-N 432.330 2.278 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267009195 KEZLHBWIBSEXQR-CABCVRRESA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC1)CC2 2267097644 QOXKRGZZNJZYJL-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2267098533 AIMROFKGSIKNHD-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120098 FRZXGBBNMMAHMJ-IBGZPJMESA-N 438.381 2.361 30 10 IEEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267139300 DSRMBCFAQAUUNH-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 2267150185 BKTSEFWAWHZMAV-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2267173440 KWQVAHIUIMDKBM-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCOC1 2267285308 GRMIQNZEQGMBBN-DEOSSOPVSA-N 439.365 2.335 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267519700 KAYSBZFKKRIQEE-HNNXBMFYSA-N 448.373 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)c(O)cc2O)[C@H](C#N)C1 2267766337 ATFOOKREUVLWBM-SNVBAGLBSA-N 426.267 2.445 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315693470 LCZNDOXEACCQNL-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2327904368 FKOBXDUYXCUCKT-CQSZACIVSA-N 432.506 2.267 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1 2329012424 SFOLRTWVRZBFQO-INIZCTEOSA-N 444.561 2.209 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)ccc1OC 2331236896 HXUIMNFHUYDZPD-UHFFFAOYSA-N 435.550 2.327 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(Br)c(C#N)c1 2335410182 DMCKXEXVGLBNGV-CYBMUJFWSA-N 446.323 2.197 30 10 IEEE Cn1nc(I)cc1[C@@H](O)[C@H](N)C#Cc1ccccc1Br 2360932562 YTCIHZVUTAVUPO-RISCZKNCSA-N 446.086 2.200 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(OC)c1OC 30503805 KAQKSRDOQRFADM-UHFFFAOYSA-N 431.514 2.091 30 10 IEEE C=CCN1C(=O)N[C@@H](c2ccccc2C)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35991313 OBSCKIYFGOABSQ-QFIPXVFZSA-N 440.544 2.229 30 10 IEEE COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)CC1 56966526 KDLJWYHEODSROF-UHFFFAOYSA-N 441.919 2.097 30 10 IEEE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)NCc3nnc(C(C)C)o3)n2)cc1 59878589 BMJRPMXAJFLQIC-DNTJNYDQSA-N 430.494 2.174 30 10 IEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccc(OC)cc3)n2)o1 59881360 DAFQIOSLIUPSKU-SRZZPIQSSA-N 430.494 2.003 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)c1 441904870 ZARXIXFRNVYNJT-UHFFFAOYSA-N 430.505 2.252 30 10 IEEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1C(=O)COc2ccccc21 442122486 FXHKPDBYRPVPEC-UHFFFAOYSA-N 436.468 2.216 30 10 IEEE Cc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1S(=O)(=O)NCC#N 447721174 FHPBVHGGZAKVGB-SFHVURJKSA-N 428.514 2.434 30 10 IEEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(CCOC)C(=O)C1 460782934 CGBFCJYLPAAUNG-UHFFFAOYSA-N 435.532 2.392 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)C2=O 470218497 FLTAIWOMIZZHGK-UHFFFAOYSA-N 443.935 2.361 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 503705617 SCZBUMGNHOFTRB-QGZVFWFLSA-N 430.511 2.084 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1[N+](=O)[O-] 538143887 KEQGNZNUIQSVJK-HNNXBMFYSA-N 443.485 2.244 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 540601982 BDGPOHWABMMWIW-ZHEXZJMTSA-N 442.545 2.452 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C2CCCCC2)CC1)C(C)C 556206992 WEUPEOAKOAIXMA-OAQYLSRUSA-N 432.609 2.052 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 576315941 ZXEPBKDXTUXXGZ-SJLPKXTDSA-N 430.578 2.054 30 10 IEEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 581897314 WEWMEXXUFMQUOQ-GOSISDBHSA-N 444.580 2.394 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(C#N)cc3F)C2=O)c(OC)c1 588224547 KJKLQVPTFNOSMU-IBGZPJMESA-N 426.448 2.315 30 10 IEEE COC(=O)C(C)(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 610824737 LEBRMBMGYDCBJN-KXBFYZLASA-N 443.525 2.282 30 10 IEEE COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 732668845 ANMUZMHLGOJBMR-GFCCVEGCSA-N 434.743 2.472 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccn(C)c2)C1=O 748095576 NXCMHAXDTBCZPW-SFHVURJKSA-N 431.537 2.364 30 10 IEEE C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnn(C)c1 750686056 CECSWNDBBPEMHG-BEFAXECRSA-N 443.529 2.046 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 755310613 NDQOWLNOEIFBOD-CZUORRHYSA-N 440.363 2.058 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@@H]1CCCO1 761835449 JXYFISKPRBECQO-HNNXBMFYSA-N 441.578 2.295 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 779378501 UQQNHRBUNZOXRD-ZFWWWQNUSA-N 430.357 2.404 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)ccc1Cl 796151615 QFBWJNRVSWKHRM-GJZGRUSLSA-N 427.910 2.270 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2CCC(C#N)CC2)C1=O 799461182 CTYCXGKOANUZBE-KVULBXGLSA-N 427.530 2.183 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800785691 XFYYKYZIAWYKTA-GOSISDBHSA-N 430.574 2.471 30 10 IEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 800786744 JQQHJRQHRTYMKH-UHFFFAOYSA-N 437.504 2.274 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 806738178 WPCBFNXYFYVOEQ-KRWDZBQOSA-N 448.495 2.192 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCO3)n2Cc2ccccc2)c1 812046857 QVXQRZQANORHCA-OAQYLSRUSA-N 431.496 2.471 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C)c(I)c1 813956619 JXTLIFXKLNWAKS-TZMCWYRMSA-N 435.283 2.386 30 10 IEEE Cc1nccnc1CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 814711637 QANUCWLEMBVTHD-KRWDZBQOSA-N 446.602 2.089 30 10 IEEE CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)n[nH]2)cn1 1084391386 TUHMUVIMPGFXBF-UHFFFAOYSA-N 430.494 2.215 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1 1126285579 GIDNQGUWSCNTFR-UHFFFAOYSA-N 442.537 2.182 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3CCn4ncc(I)c43)n2)c1 1128896854 UWGCSVFVEUACOF-UHFFFAOYSA-N 430.209 2.205 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 1150366189 GEOOPMBVULBJAP-PCCBWWKXSA-N 429.561 2.292 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)C1(CO)CCCC1)c1cc[nH]n1 1163477520 YGBZGYLHWPAWPP-FQEVSTJZSA-N 428.489 2.104 30 10 IEEE C[C@H]1CN(c2cccc(CN(C)CCS(=O)(=O)c3cccc(C#N)c3)c2)S(=O)(=O)C1 1169810292 IMOQSBAYNHSEKN-KRWDZBQOSA-N 447.582 2.250 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C#N)C3)cc2)C1 1194629078 IFWJUFMHTBFFIY-IXDOHACOSA-N 425.576 2.277 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](OC)C1CC1 1286275598 ONKFACNVKGWHFN-PBHICJAKSA-N 430.578 2.430 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286389423 JVPBUIWINOESAA-WOJBJXKFSA-N 428.558 2.040 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1286395231 RQYQIXGJXBDIAK-OXQOHEQNSA-N 436.603 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cccc(C)c1 1286462459 KVWOSZKCUZBWNR-UHFFFAOYSA-N 432.528 2.473 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCc1cccc(C(N)=O)c1 1286518663 IMIBTBIFYYMFMP-GAJHUEQPSA-N 425.533 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1286560695 HVMCQNPOFOLXSV-ICSRJNTNSA-N 441.580 2.402 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286668474 RNANEWFPQHDWEF-MRXNPFEDSA-N 431.562 2.263 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1Cc1cnnn1C 1286741330 JPPRVACVYVTKLT-UHFFFAOYSA-N 442.531 2.381 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOC(C)(C)C2)C1 1286812383 OTRRAYHPXUFNMP-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccccc2)C1 1286814399 RKKPLZCNDPUGGB-LJQANCHMSA-N 443.573 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS[C@H](C)C1 1286814987 JUFXRKHFRMTILL-CQSZACIVSA-N 437.547 2.396 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(C(N)=O)CCCC1 1288186701 NHVNDNHHIJZBMB-MOPGFXCFSA-N 449.559 2.206 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCSCC2)n1 1290632366 FDHKQOALEXEEBF-NRFANRHFSA-N 428.610 2.319 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1292703637 KRBAVQCWQWPDIB-SJLPKXTDSA-N 430.553 2.440 30 10 IEEE C#CCOc1ccccc1CNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1293535209 VDQMYBKKZQWAHM-FQEVSTJZSA-N 431.533 2.370 30 10 IEEE N#Cc1cn(CC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c(=O)nc1O 1294423923 AAZZVGLCQLBLHK-UHFFFAOYSA-N 443.872 2.104 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(CC)C(C)C)CC1 1300688986 OAWQVKUHIHELRJ-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301262548 XDQBFJOMLGNAHS-WOJBJXKFSA-N 430.553 2.441 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1301499004 VYDZREUPLPLYAM-ZDUSSCGKSA-N 443.458 2.378 30 10 IEEE CCc1ccc(C#CC(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1302137696 QMIAFQPSJJEPES-UHFFFAOYSA-N 446.292 2.344 30 10 IEEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)Oc1ccccc1 1303685938 FTUPLCPBJQCFKB-HZPDHXFCSA-N 432.550 2.096 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)n(Cc2ccccc2)c1C 1308138925 AIPRFZMIZVNGJD-XZOQPEGZSA-N 435.572 2.494 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 1352643318 YNRKIYSONJCSBK-UHFFFAOYSA-N 443.451 2.020 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)C(=O)NCC)c1 1358901557 OGVQNXLGEMOCNS-UHFFFAOYSA-N 447.543 2.492 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN(C)C(=O)OC(C)(C)C 1358970406 NVPJLAPABXHXHA-HSZRJFAPSA-N 445.564 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1 1358983953 CGOGPMJXYDENQL-HSZRJFAPSA-N 439.947 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H](C)C1 1358988976 KLCGAOUQFHVJEX-RTBURBONSA-N 430.516 2.199 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359082271 DLYVHQJJQYTLNZ-QGZVFWFLSA-N 445.365 2.413 30 10 IEEE CC(C)Cc1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359812581 OLQXVBJUQPKWKB-VEGAHXMMSA-N 441.580 2.068 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCc1cnn(C)c1 1359855183 FASXCJJKUUGOGH-GOSISDBHSA-N 448.579 2.220 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C)CC3(Br)Br)CC2)c1C#N 1435910249 DCUIKWGZSBDERJ-AWEZNQCLSA-N 445.159 2.145 30 10 IEEE C[C@H]1CCc2sc(NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c(C#N)c2[C@H]1C 1436545312 CJJWBKAJTVERBB-QWRGUYRKSA-N 425.514 2.447 30 10 IEEE CCOC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)c(C#N)cn1CC 1436861777 MIMMVCJXHAJJIR-UHFFFAOYSA-N 439.394 2.483 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(COC)CCCCN2C(=O)OC(C)(C)C)n1 1448860579 RBZZPVOLYNAHJS-HSZRJFAPSA-N 448.564 2.298 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)c1 1449225445 SAIGYULTYZAWEP-GOSISDBHSA-N 435.546 2.378 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1 1457187815 NDSYBXPTAGAYIW-KRWDZBQOSA-N 435.546 2.280 30 10 IEEE Cc1c(C#N)c(=O)n(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)c(=O)n1CCO 1459239069 NXSDZNXXGVYCDW-UHFFFAOYSA-N 438.337 2.044 30 10 IEEE C#CC[C@@]1(C(=O)Nc2nc3nc(CCC)cc(=O)n3[nH]2)CCCN1C(=O)OC(C)(C)C 1461859347 RUZBTDSYDYRIJR-NRFANRHFSA-N 428.493 2.102 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1Cl 1463616887 DBEIBADTNAQCSU-OAHLLOKOSA-N 426.860 2.142 30 10 IEEE C#C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)c1ccc(Br)cc1 1468451309 PPYGAUYGCGAHAZ-DOTOQJQBSA-N 443.301 2.430 30 10 IEEE C=CCC1(C(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)CCOCC1 1468669845 LOAQDIIJMZJMPJ-UHFFFAOYSA-N 440.587 2.367 30 10 IEEE CN(C)S(=O)(=O)c1ccsc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1469673659 AWXUBCXTRGXCIA-UHFFFAOYSA-N 432.571 2.264 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1470670903 AIHAPSUMXWZTAJ-IBGZPJMESA-N 436.516 2.340 30 10 IEEE CN(C)Cc1csc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1471916776 MIBWROVPHAXGMH-UHFFFAOYSA-N 449.602 2.120 30 10 IEEE CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1472578817 BNWNPWVDKWAZPI-MRXNPFEDSA-N 435.546 2.197 30 10 IEEE CCS(=O)(=O)C1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1475254344 FNKYPXPQNKUZDG-UHFFFAOYSA-N 439.328 2.048 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)c1 1475600184 BXXPLSVSRZQYQO-UHFFFAOYSA-N 429.542 2.118 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1495883188 VPJGKWACDAQRCB-ICSRJNTNSA-N 438.580 2.106 30 10 IEEE COc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N(C)C 1504383847 VUPQXXVJNAFCBN-OAHLLOKOSA-N 433.516 2.439 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507580715 KNHZVQWWYYUODA-GOSISDBHSA-N 441.967 2.150 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1507595082 WPPJVQFHOGUGMI-UHFFFAOYSA-N 426.609 2.461 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[S@@](=O)C(C)(C)C)CC1 1507725439 WAZNYLUJPPZMEH-SSEXGKCCSA-N 429.590 2.256 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507960772 RXJZGEGSMBQCNH-FQEVSTJZSA-N 426.565 2.481 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 1508106229 UPJDWNPLBQUIFK-UHFFFAOYSA-N 438.576 2.198 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508111507 GQVIGVCIRPSHGM-DLBZAZTESA-N 449.552 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C#N)CC1 1508148995 MPTXGCOORQPLMV-UHFFFAOYSA-N 445.545 2.206 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1508160104 SKFMOLBJZJWXER-HNNXBMFYSA-N 433.607 2.240 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1c[nH]c2ccc(F)cc12 1510151202 NNQYOLQYXZWCIB-KGLIPLIRSA-N 447.540 2.490 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1511885631 IVYNTYANNYKUMK-SFHVURJKSA-N 427.940 2.353 30 10 IEEE Cn1ncc(I)c1CNC(=O)CSCc1ccc(C#N)cc1 1533063294 UJIWHDWHWVMAOM-UHFFFAOYSA-N 426.283 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539025876 NTDCYWZAFKSJAT-HKUYNNGSSA-N 448.579 2.098 30 10 IEEE C#CCCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539140868 BZBUYBLOPWFDHT-USTZCAOPSA-N 433.553 2.312 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCN1CCN(C(C)=O)CC1 1539384225 AKXRWKYETVWHIQ-UHFFFAOYSA-N 426.540 2.345 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCCn1cnnn1 1539392736 WDQMJVXJIYLBJR-UHFFFAOYSA-N 431.479 2.120 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(=O)N(C)C)CC1 1539441818 VWJZCJWGBYAGKB-UHFFFAOYSA-N 438.576 2.213 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540867509 YQZIAJKYAOPLCL-KXBFYZLASA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@](C)(CC)C1 1540871572 OOKZCEFZOXEAMS-PGRDOPGGSA-N 427.505 2.098 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540913661 YDEDEQQIYFAJNC-HXUWFJFHSA-N 444.653 2.203 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1541293775 FVBOZMSJNKZFAF-QHCPKHFHSA-N 432.532 2.340 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)CCOC1 1541733675 UGICDLMANNQQIA-ZRCGQRJVSA-N 446.596 2.168 30 10 IEEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)CC1 1547734810 CUMFRISWPWYMKB-UHFFFAOYSA-N 449.563 2.233 30 10 IEEE Cn1cc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)cn1 1554332647 JTQQUERZPGETAV-UHFFFAOYSA-N 438.492 2.249 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC(C)(C)c2cccc(C#N)c2)cc1 1557467287 HTVPKISMKZDHRK-UHFFFAOYSA-N 429.498 2.065 30 10 IEEE CC(C)(C[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1)C(N)=O 1559847774 AARQWVSUYCLKBP-GHTZIAJQSA-N 443.567 2.148 30 10 IEEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCOCC1 1565105053 BZUCUMFRKBVJIZ-HNNXBMFYSA-N 445.994 2.236 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1565142190 AOQIEHISFCDVPU-VWLOTQADSA-N 448.615 2.448 30 10 IEEE CN(C)[C@@H](CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(F)(F)F 1565324420 RHTBBRDEPPLNJA-KRWDZBQOSA-N 437.470 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1587593458 KSOOUUULCSCTAR-AWEZNQCLSA-N 437.953 2.101 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1588024853 ODISQOFOWFVODB-KSZLIROESA-N 433.553 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2oc(CCC)nc2C)CC1 1588929792 GWHZWILGPMQNFE-GOSISDBHSA-N 440.548 2.045 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCOCCN(CC)CC 1589198526 XCDIAVJJRXGRTG-HSZRJFAPSA-N 442.564 2.356 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1595461008 LRAAZRAHURKKIT-UVFQYZLESA-N 430.505 2.259 30 10 IEEE CCOC(OCC)[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1608200001 DHESEQUZNWDAHI-HOCLYGCPSA-N 425.551 2.044 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1611320310 UOSLJXOBOFZNTH-BHYGNILZSA-N 445.568 2.313 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)CC1 1618029831 IZPRZUJOMSBDCF-UHFFFAOYSA-N 431.492 2.278 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1619614587 MCCFHSPZJHECLC-QZTJIDSGSA-N 426.496 2.296 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1620347111 NYQYVHCPXBKUAV-WIYYLYMNSA-N 447.536 2.229 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1627412844 UTHYHMBLQFXHHF-STQMWFEESA-N 429.468 2.455 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1cccnc1 1627971333 AXWXGVNOAPXURJ-JBLFJGJOSA-N 428.489 2.199 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c([N+](=O)[O-])c1 1628895546 ZZIYQCHJQHXSMB-LJQANCHMSA-N 428.470 2.021 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 1630431110 KKSWAXUSTPSDTR-HNNXBMFYSA-N 431.367 2.384 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F)c1cc[nH]n1 1632609209 HMSKWLHJKVTOKW-LBPRGKRZSA-N 426.395 2.460 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)cc1 1633090740 PUJSSGHNMZHGLJ-ZDUSSCGKSA-N 436.461 2.483 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CC[C@H](N(C)C)C[C@H]2C1 1637379891 ANTGSWSHHLNTAP-JPLJXNOCSA-N 446.617 2.473 30 10 IEEE CC#CC[C@H](CO)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1640793972 HYEVVAJSCDXPQJ-LJQANCHMSA-N 434.945 2.421 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)OCC 1656400708 XDEMWFFMYMUGAR-INIZCTEOSA-N 432.901 2.414 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1676392330 BOGYUSQPOGVQLZ-QGZVFWFLSA-N 433.921 2.410 30 10 IEEE C=CCN(C(=O)Nc1cc(Br)ccc1C1=NCCO1)[C@H]1CCS(=O)(=O)C1 1680457389 YGFDWARIWXHJMW-ZDUSSCGKSA-N 442.335 2.433 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1cccs1)N(C)C 1689953860 BYVANQXRIPZIOW-GOSISDBHSA-N 433.545 2.355 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1690113942 YNPTYQOEUIGYJA-HXOBKFHXSA-N 442.564 2.094 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CN2CCCC2)CC1 1690114802 HZCCTTNARUXXRG-IBGZPJMESA-N 437.548 2.340 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690285520 AXEHDVATWYTAFA-IAGOWNOFSA-N 430.578 2.377 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1690321960 PSZGUHNIIBWOEI-MJGOQNOKSA-N 434.562 2.339 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1693876589 OMRBSLHFMZNLFQ-MMYRVIJDSA-N 439.545 2.197 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C#N)o2)c1 1698293916 UTJXQXICJYWXSH-HXUWFJFHSA-N 440.460 2.304 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1705486107 WTDMIJWCVVNRLL-ZDUSSCGKSA-N 439.438 2.489 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705572157 SGRQRUJAEYAGFO-QZTJIDSGSA-N 434.949 2.458 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1705628304 CMCALPNRWBOYFG-INIZCTEOSA-N 439.438 2.252 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(F)cc1 1705628657 MHQNAPVWXDRQSD-QGZVFWFLSA-N 448.564 2.383 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC2)n1 1705631660 LTOUCGBTLUKMGF-QUCCMNQESA-N 428.537 2.039 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(F)(F)F)C1 1705651984 MSJOFHHMRITWAF-AWEZNQCLSA-N 433.500 2.330 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705659260 PXAWEYANRQTLCT-YLJYHZDGSA-N 426.590 2.172 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705661341 ZFEOHBKZICMJHC-NRFANRHFSA-N 431.512 2.372 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1)C1CC1 1705849345 KBMYTBGBMNCUAN-AWEZNQCLSA-N 448.549 2.270 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1706074808 FHAFHFGNYDCBBB-SJORKVTESA-N 447.561 2.250 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1706516440 SYXZHLSMDRPABX-LJQANCHMSA-N 439.564 2.293 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)C1 1710375078 CIYROQBYFQIANL-LJQANCHMSA-N 442.520 2.195 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1711300120 AVNMWHPQOGMLEH-WMLDXEAASA-N 430.603 2.484 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1712459555 NFTWJHMPVDRNHM-WJFTUGDTSA-N 435.569 2.103 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](C)OC 1712556812 DBIFCZSSWMSYDV-DLBZAZTESA-N 446.527 2.374 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1722366001 GURDEIFWYXVEKV-OALUTQOASA-N 428.558 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCSCC2)cc1 1722370421 KIFUYJWASYNLNI-UHFFFAOYSA-N 436.585 2.091 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccco1)N1CCCC1 1722373175 FMUSIKUILIHBJI-RDPSFJRHSA-N 437.544 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722375321 MMMSBXLKSGDBPG-OALUTQOASA-N 436.516 2.425 30 10 IEEE C#CCN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722409033 BLIOKYDZVAFDCY-UHFFFAOYSA-N 432.576 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2CCN(CCC)CC2)CC1 1722448897 CBJKMBBSEYMWOR-UHFFFAOYSA-N 426.609 2.318 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCNC(=O)C1 1722452449 UPQSKXDSIQPFLE-MRXNPFEDSA-N 429.546 2.119 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cccc(O)c1 1722696485 ACFJQGFRRAHAGI-CQSZACIVSA-N 438.488 2.211 30 10 IEEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CCCO1 1726728759 FAFJFFMQOZGGEL-CVDCTZTESA-N 443.596 2.145 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1728363652 CZAJTQAGYKQASF-JXFKEZNVSA-N 428.537 2.421 30 10 IEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1730621038 ATSMWYCPNSOILG-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCOC2)C1 1731181387 OESNVYVPKFWCCH-ZWKOTPCHSA-N 436.285 2.301 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCCO)CCN1C1CC1 1731187037 WKXUDSSUWKDQFN-LJQANCHMSA-N 425.493 2.192 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1740549127 KZFZSDWGMFAAJW-JKSUJKDBSA-N 431.487 2.100 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740574061 JLIYMFVJTRHJEK-ZWKOTPCHSA-N 433.553 2.315 30 10 IEEE C#CCCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740596494 GZKQNPISHLZNGG-XZOQPEGZSA-N 442.564 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCCN2CC)CC1 1740705730 LXMFPJALEHRFKM-LEWJYISDSA-N 442.608 2.360 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740794305 WJKQMIAFVZBQEJ-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)S(=O)(=O)CC)CCO1 1745000072 CVVGABWAKUUMCK-IBGZPJMESA-N 446.577 2.104 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(-n3cncn3)c2)CCOC1 1746649517 HIDSLBPZJQCOED-VGOFRKELSA-N 436.520 2.155 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCCC1=O 1748777039 WQYCYZXBVHINEE-UHFFFAOYSA-N 443.573 2.211 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818244 XZBQNJOYFWFMIR-AZUAARDMSA-N 430.574 2.320 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1748819992 WLRHTPSEUXRBST-IBGZPJMESA-N 427.574 2.471 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2OCCC2(C)C)n1 1748971699 ZCCDWHCPWYWIQW-AZUAARDMSA-N 442.564 2.080 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2c(F)cccc2F)CC1 1748979033 TVQOJXMXRLDUQH-QHCPKHFHSA-N 445.514 2.206 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749456952 NPTCOVYLIVALIX-DLBZAZTESA-N 427.505 2.098 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1)C1CC1 1749519040 DSEWKGIKAAHULQ-ZBFHGGJFSA-N 445.536 2.201 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)C(C)C 1749558622 XBNRDGIMUIHHBW-MOPGFXCFSA-N 429.613 2.488 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccnn2)CC1 1749761150 VVNXDGIIZVTWSO-UHFFFAOYSA-N 439.593 2.176 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760187373 VNWIQYLFDAUKIC-UXHICEINSA-N 435.638 2.368 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2CCOCC2)CC1 1760264488 PZSIVPPPDSQQEZ-UHFFFAOYSA-N 439.560 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCCC2)CC1 1760266603 FXKGSEOKHCOXLT-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2cc(C)no2)CC1 1760327280 FTDXJAMVJKQDGJ-RXVVDRJESA-N 430.553 2.414 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760371176 QMABXFNLKRLVKW-ZDUSSCGKSA-N 448.318 2.278 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760372428 JHOZXMXJPJEDAH-INIZCTEOSA-N 446.987 2.000 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760410568 JIMOOJBMGCERRY-UHFFFAOYSA-N 439.564 2.116 30 10 IEEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1760416631 JHPYNQMVBHYTKZ-FQEVSTJZSA-N 449.563 2.097 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760426962 JLCXZQMLTJIAHS-OAQYLSRUSA-N 437.592 2.363 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOC2=O)cc1 1761363021 BFLMCRPIDYKYBI-INIZCTEOSA-N 437.504 2.144 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCc1nc2ccccc2[nH]1 1761462803 ARYIFENQYUAYSE-CABCVRRESA-N 444.565 2.136 30 10 IEEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1763328510 YVRVOTBOKCQPDK-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1767960971 GADWWBGKOWBJES-UHFFFAOYSA-N 447.499 2.369 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CCO1 1770943028 CCJPVIWYBUAAPB-SIKLNZKXSA-N 442.589 2.106 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)OCCCN2CC3(COC3)C2)[C@H]1c1ccc(C#N)cc1 1848993822 NVZOQYTVYUTXHD-NHCUHLMSSA-N 443.569 2.217 30 10 IEEE CCOc1ccccc1-n1nnc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1COC 1850576148 MAEUGNGWPJQOEU-UHFFFAOYSA-N 447.499 2.041 30 10 IEEE COc1ccc(-c2nc(-c3ccccn3)nc(N(C)C(=O)[C@@H]3COCCO3)c2C#N)cc1 1852320716 NHELOEDLSBSEKT-IBGZPJMESA-N 431.452 2.464 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(=O)O)cc2)cc1F 1862640822 SBNPQCQYKWKWET-VOJFVSQTSA-N 429.400 2.492 30 10 IEEE N#Cc1nnn(Cc2c(F)cccc2Cl)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870107139 UXWMGEFCMHVCKK-UHFFFAOYSA-N 438.806 2.225 30 10 IEEE N#Cc1ccc(COc2cn(CCCN3CCOCC3)c(CSCCO)cc2=O)cc1 1870232946 QAGNEUNOBYOJAN-UHFFFAOYSA-N 443.569 2.247 30 10 IEEE COc1cc2[nH]c(C(=O)O)c(/C=N/n3c(S)nnc(C(C)(C)C)c3=O)c2cc1OC 1873494969 JBZQCLHOZLTNPO-DNTJNYDQSA-N 431.474 2.303 30 10 IEEE Cc1cccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)c1C 1874323839 KGMDSHAPMDMDFF-LSFURLLWSA-N 427.486 2.345 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986128337 PSPOYXUFGFBNAE-XHSDSOJGSA-N 427.542 2.332 30 10 IEEE CC1(C)OB(c2ccoc2CN=c2[nH]ccnc2I)OC1(C)C 2008698865 BUSFNVDXMJJPES-UHFFFAOYSA-N 427.051 2.007 30 10 IEEE CC(C)(C#CC(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 2023919698 YPPPTDMUJBBWFH-QHCPKHFHSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)F 2060633002 IMXVNKZODZHKLU-LBPRGKRZSA-N 442.272 2.263 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2124521854 LTRXKVAXWIMWMD-IYYNEKPFSA-N 448.369 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2C#N)C(=O)C1 2181156891 WLIIKODVKVRADS-UHFFFAOYSA-N 437.294 2.339 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2247819941 LBOZXBIXSBOBET-JKSUJKDBSA-N 425.379 2.384 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCCN(Cc2ccccc2)C1 2249684092 DDEFUXCVYOLCFW-GBXCKJPGSA-N 429.561 2.389 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255830176 BFTIXWWGNWDOPY-CQSZACIVSA-N 436.362 2.047 30 10 IEEE C[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2255878871 GRKCQJRJFHYAST-WMLDXEAASA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256007599 AFDZUSDJWJOVFM-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2256938541 VQSNGFNBMJORGH-KRWDZBQOSA-N 444.362 2.362 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2267500909 QCQWJBNZJVQCPQ-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCNC(=O)OC(C)(C)C)C1 2267516342 CKMMKTLRDWNABT-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267548870 IQQHFGKWZWVBOQ-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267593464 LDQAZHZTYBOHCX-QZTJIDSGSA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2300297946 DMKMBTLIPMQABQ-CQSZACIVSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2310283516 DLUGORKJWIVQKD-NQNKBUKLSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2317151307 PBSHWYYJPIYMAZ-QZTJIDSGSA-N 429.326 2.250 30 10 IEEE COc1nc(OC[C@@H](CNC(=O)OC(C)(C)C)OC)ccc1B1OC(C)(C)C(C)(C)O1 2317545930 QWYZCOLLLBOTQS-CQSZACIVSA-N 438.330 2.308 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2337198759 NKRDSHPKTGDYIQ-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE COc1[nH]c(=NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339784948 KPGVPRAHRHERCK-BFYDXBDKSA-N 445.369 2.479 30 10 IEEE Cc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 26477434 HGSDJAIPXDUKDK-MRXNPFEDSA-N 430.505 2.339 30 10 IEEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 111047873 AFIIODVABJXUFS-GOSISDBHSA-N 443.500 2.139 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C#N)cc3C)CC2)cc1OC 438834259 ZXLHHGAKIRHBGJ-UHFFFAOYSA-N 443.525 2.467 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 460591846 JYIKQQHKEGPKRJ-IBGZPJMESA-N 432.459 2.759 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481025613 QMRYPFUDSUKSSU-UHFFFAOYSA-N 430.505 2.397 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@@H]3CCCO3)c2=O)nc1 486838827 IGPIHZKHVZQRPY-IBGZPJMESA-N 437.565 2.445 30 10 IEEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 508920384 UKUBOFMXAMYADY-UHFFFAOYSA-N 441.923 2.246 30 10 IEEE CCc1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cnc2c1c(=O)n(C)c(=O)n2C 513801979 GAMQYOVYOXPYAN-UHFFFAOYSA-N 439.475 2.242 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 514909772 AUUANMURKYGDKM-UHFFFAOYSA-N 447.472 2.399 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 515661268 OVPYFXRXXJXSFJ-UHFFFAOYSA-N 446.507 2.185 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(C)C)cc2)c(=O)n1Cc1ccccc1 518550216 PJGZRIAILPBSOB-UHFFFAOYSA-N 447.560 2.242 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)CC1 524496494 QROIMRXYKKADSH-SFTDATJTSA-N 441.620 2.294 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)(C)CN(C)C)c2=O)nc1 532140067 CWJFTJGXXUNUMN-UHFFFAOYSA-N 438.597 2.073 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)n(-c2ccc(F)cc2)c1C 532971916 NAFBNCWUPLZUFG-INIZCTEOSA-N 432.521 2.410 30 10 IEEE CCCCn1c(N)c(N(C(=O)CN(C[C@@H](C)C#N)C2CC2)C2CCCC2)c(O)nc1=O 533599412 RDJZDTWWMAJPLI-HNNXBMFYSA-N 430.553 2.231 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 534061155 SXLMGYVZJNVBDP-HNNXBMFYSA-N 432.527 2.013 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4ncc(Cl)c(C)c4C#N)CC3)C2=O)n(C)n1 543207198 MSWKXNYJVRSZBQ-SFHVURJKSA-N 427.940 2.275 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cc(F)c(C#N)c(F)c2)CC1 549720437 LYFIFHYQUPEQOP-UHFFFAOYSA-N 438.456 2.158 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 555175722 OLKMRBIYLPEUDX-UHFFFAOYSA-N 441.539 2.289 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(F)(F)Oc2ccccc2)n1C 577663275 SPRJAAPXOVGUBT-CQSZACIVSA-N 426.431 2.320 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)c(Br)c1 578088478 FOUZYSFZNVNIAD-UHFFFAOYSA-N 433.327 2.090 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C[C@@H]4COCC(=O)N4)c4ccccc43)cc2C1=O 578660031 OTJFTNUQNZGCEV-DLBZAZTESA-N 445.475 2.118 30 10 IEEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 582038302 FEFBJBMJEGSBFJ-CTNGQTDRSA-N 437.500 2.265 30 10 IEEE COC(=O)c1nc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)sc1C 586864537 XVLVDCGCFMARQR-HNNXBMFYSA-N 430.461 2.229 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)cc1 604268867 XNYGBGBREDJCKD-UHFFFAOYSA-N 430.530 2.007 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCO4)c2=O)o1 604994556 BCPFMRDSGVVBOS-UHFFFAOYSA-N 434.473 2.401 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)c(F)c1 609233689 SPGRBLDGJWCOPA-UHFFFAOYSA-N 440.250 2.269 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)[C@H]1CCS(=O)(=O)C1 729331022 MCXQBIMRABVOJF-IBGZPJMESA-N 446.550 2.058 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)cc1F 729846063 NYYYUIWLIXFZEB-LJQANCHMSA-N 447.488 2.043 30 10 IEEE N#C[C@H]1CN(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCN1C1CC1 732666390 RJIJORXKCWKXAO-WIOPSUGQSA-N 429.524 2.306 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)cn1 735069175 MUZFLUCCIZCUEC-IBGZPJMESA-N 448.548 2.081 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 741639206 ROJZCADHVGFUTH-UHFFFAOYSA-N 432.473 2.419 30 10 IEEE CO[C@@H](C)c1noc(CN(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 747933917 VBBYKGRSCDNNMX-AWEZNQCLSA-N 449.533 2.035 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 748414775 UWNLITNBLQCIDG-UHFFFAOYSA-N 445.435 2.492 30 10 IEEE CCc1cnc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)s1 758753020 OCLVMEPURCXPBD-GOEBONIOSA-N 434.566 2.296 30 10 IEEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@@H]2CCCO2)c1 763436930 WKFKODPCMKRBHI-FQEVSTJZSA-N 447.560 2.430 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 763766333 GQUAYZLUQDOWNP-QHCPKHFHSA-N 446.467 2.471 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H](C#N)C2CCCCC2)c(NS(=O)(=O)C(F)F)c1 776090004 ZDIISDBGNFVDNA-AWEZNQCLSA-N 437.490 2.410 30 10 IEEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 779211870 CXGFNSBYUJJCKQ-SFHVURJKSA-N 445.497 2.003 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 779420810 ZKVMOIMKGVWCNC-AHRSYUTCSA-N 439.528 2.321 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 783865666 GIVFNYOBJNFXAP-NRERDWFFSA-N 438.509 2.464 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H]2C[C@@H]2C(F)F)C1=O 807932308 XABIPKHIOMTNJO-SOUVJXGZSA-N 428.480 2.479 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2nccc(C(F)F)n2)C1=O 807938646 FDPVDTWUDGMDDW-CQSZACIVSA-N 449.439 2.411 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)c1 814319722 OKEUUWKYQCFWCA-IRISZBEPSA-N 442.545 2.169 30 10 IEEE CC(=O)N[C@@H](CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)c1ccccc1 816411237 WXQCCVCFWDVUQK-INIZCTEOSA-N 431.290 2.437 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)cc1 1084344351 DPIOQPWUSXTWLS-UHFFFAOYSA-N 427.446 2.330 30 10 IEEE C=CCN(C(=O)C[C@H]1C(=O)Nc2c(Br)cccc21)[C@H]1CCS(=O)(=O)C1 1125953878 LCNDYSQBOCJCCZ-WCQYABFASA-N 427.320 2.077 30 10 IEEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)NCCc1ccccc1 1129503531 ACNVUQFXGFLSSD-QAPCUYQASA-N 438.915 2.428 30 10 IEEE Cn1c(=O)c2cc(C(=O)N[C@@H](C#N)c3ccccc3Br)sc2n(C)c1=O 1131548885 DWMPGACZVVTCJY-LBPRGKRZSA-N 433.287 2.056 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCCN1C(=O)OC(C)(C)C 1132911097 ROPSAIBSATZDKO-DEOSSOPVSA-N 446.592 2.112 30 10 IEEE COC[C@@](C)(C#N)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1137349253 LYTFOFOGRKISDD-OECQAKIHSA-N 437.496 2.319 30 10 IEEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1141412142 AHLHZWNFTLNGBI-QGZVFWFLSA-N 443.301 2.052 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1 1143572384 NODPDIAHWJBOFF-UHFFFAOYSA-N 435.513 2.393 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)n3)CC2)cn1 1154224041 QEPUAACKJBSIQB-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC[C@](C#N)(c2ccccn2)C1 1196789408 KMOUMOACICAWJD-VGOFRKELSA-N 441.557 2.216 30 10 IEEE N#C[C@]12CN(C(=O)NCC3(c4cc(F)cc(C(F)(F)F)c4)CC3)C[C@H]1CS(=O)(=O)C2 1226441268 AKDGREPQAXJMRS-KBXCAEBGSA-N 445.438 2.456 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4ccsc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 1279054556 YHLAUJRYUFQLOT-UZLBHIALSA-N 440.573 2.390 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286459056 JIUNXKHGDRSPOC-MRXNPFEDSA-N 436.516 2.145 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286498779 LZXVVPJSQIMPEW-SFHVURJKSA-N 429.571 2.197 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1 1286528422 ZZFOABGLYDLLMH-XUZZJYLKSA-N 438.624 2.158 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCC(=O)NC 1286534603 HQDPDNNRQLVULZ-UHFFFAOYSA-N 438.326 2.443 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286557184 HMMRFXDGEUELAS-GHTZIAJQSA-N 425.533 2.490 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1286764103 GDUCTMDQIQDQKY-QGZVFWFLSA-N 438.536 2.452 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCN(C)C1 1286768144 RQOYDGZMUPCHAT-QHCPKHFHSA-N 438.532 2.306 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C2CC2)cs1 1286773193 JOZQPHSWGYVZTD-OAHLLOKOSA-N 437.591 2.201 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1286781741 ZAUBTTGUCXLYNM-UHFFFAOYSA-N 448.930 2.348 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1286782793 GSOYYBMNFSOYBV-GFCCVEGCSA-N 437.331 2.221 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CCC2)C1 1286814225 NPSODESJMPEIMT-ZTMYXEJLSA-N 438.594 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(C)on1 1286815094 LCGRZDWWSJECKV-UHFFFAOYSA-N 446.489 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1286819449 LDSJENAJNXUSDK-UHFFFAOYSA-N 437.610 2.279 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nccn2C(F)F)CCOC1 1288304912 IQKOGHJSBZVGRP-MOPGFXCFSA-N 439.442 2.401 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCOc1cccc(Cl)c1 1288772084 DFLRDGWNNNWWJC-ZIAGYGMSSA-N 440.957 2.359 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOC1CCCC1 1288842271 YAHINVQOVYDIKU-UZLBHIALSA-N 438.598 2.368 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1293784599 JCPDBBDQPVRQPU-AZUAARDMSA-N 449.559 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)c3cccnc3)CC2)CC1 1295405466 IPKLEMKNWLMLOV-UHFFFAOYSA-N 426.517 2.017 30 10 IEEE C#CCN(CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C(=O)OC(C)(C)C 1296157403 OAGMBEDUCKCJMH-UHFFFAOYSA-N 447.532 2.231 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1296516953 CWJYPCPNXXPUNT-QVKFZJNVSA-N 427.509 2.070 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)C1 1299028521 NMSRGBUWFYIICY-HSZRJFAPSA-N 434.500 2.375 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300407818 DMVZTBAPDUKOKJ-KURKYZTESA-N 431.537 2.368 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1300409044 FSKWJPJRGGTRPD-QGZVFWFLSA-N 431.518 2.181 30 10 IEEE C#CCN(c1nnc(COCC)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300503128 ARQHDGKWRKFBFF-SFHVURJKSA-N 434.537 2.213 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2cccn(CC)c2=O)CC1 1300706629 QGOHKZIOJUMEJG-UHFFFAOYSA-N 430.556 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(N(C)C)cc2)CC1 1300732198 YYJXHESUVXITDL-UHFFFAOYSA-N 438.576 2.089 30 10 IEEE N#CCc1ccsc1C(=O)N1CCC(n2nncc2I)CC1 1300835990 VNKAZDVLTSNIJJ-UHFFFAOYSA-N 427.271 2.488 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1300988802 JSDKUJZUYKHDBD-OAQYLSRUSA-N 439.560 2.266 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301173890 LMYATSUIACKTAZ-JXFKEZNVSA-N 441.598 2.019 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 1301506750 REFAQPSHUMIICF-UHFFFAOYSA-N 445.571 2.278 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(C)cc2)C1 1301557900 RVTPZGILJVIQTO-ICSRJNTNSA-N 446.573 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](c2ccco2)C1 1301587199 RUEIPLHPHDFESM-SFHVURJKSA-N 427.530 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(F)ccc2C1 1301588787 JLDUDMMKJXYXJR-SFHVURJKSA-N 434.537 2.475 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H](C)C1 1301969231 VVORJNLGZIMKJV-OTWHNJEPSA-N 436.626 2.288 30 10 IEEE CC(C)(C)CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1302190926 JPZIIIADXYSZTI-GOSISDBHSA-N 425.537 2.300 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1302502123 COIBSPPQTOZBFH-HSZRJFAPSA-N 440.548 2.228 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC[C@@]3(CCOC3)O2)CCOC1 1303475976 IBPHGYAZTRPEMO-RPHTVSPISA-N 433.553 2.395 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1303639424 FCABJTOXJMVSLE-YOEHRIQHSA-N 431.518 2.106 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1314522100 RHJASTXYZYBXRT-CYBMUJFWSA-N 448.574 2.406 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CCO1 1315935849 LWPUAXVEYBRHCH-NRFANRHFSA-N 441.532 2.254 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccn(C)n1 1316099411 AQHKKNDFNBFLPQ-UHFFFAOYSA-N 447.341 2.378 30 10 IEEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1Cc2ccccc2C1=O 1357542502 AQMWLVWRMSVPAV-SXDATVTGSA-N 440.525 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1358873981 QNPZLECAZUSXLJ-YADARESESA-N 439.560 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1C 1358877184 YLWLMDXBVRUQEN-GFCCVEGCSA-N 430.310 2.351 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358965078 NKCOCFVJMMTWRA-LEWJYISDSA-N 442.585 2.229 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[C@H]2CCCCO2)CC1 1359029179 QUTFVYNXMLAKKJ-LJQANCHMSA-N 437.548 2.030 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359186296 AKIHOFPMHAVFRP-MRXNPFEDSA-N 437.552 2.418 30 10 IEEE C=CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1359193670 HPOXKKBESUSSGM-OAQYLSRUSA-N 436.560 2.217 30 10 IEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359198880 DJEINTSAHSLYHE-KDURUIRLSA-N 447.561 2.113 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2F)CC1 1359301888 OTYFKLOQRNLLAF-UHFFFAOYSA-N 449.534 2.340 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C(C)(C)C)s2)C1 1359310792 GVLJWVVADQNEQR-OAHLLOKOSA-N 445.593 2.493 30 10 IEEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1360331359 UBVYVZCDBHSRIC-WZONZLPQSA-N 444.580 2.363 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)c1 1441630831 MMLYEYLTIKIWEX-LYBHJNIJSA-N 426.502 2.480 30 10 IEEE C#CCC[C@H](O)CNC(=O)Cc1cc(Br)cc(I)c1 1448347157 KHJOTVIGYGLJFU-ZDUSSCGKSA-N 436.087 2.487 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1449431567 ZQQAGUBZSBKUEL-HSZRJFAPSA-N 449.548 2.224 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1OC 1454136515 PFXYLRKHIZGNJO-GOSISDBHSA-N 434.537 2.439 30 10 IEEE C=CCN(C(=O)CCn1nnc2ccccc2c1=O)[C@H](Cc1ccccc1)C(=O)OCC 1458998526 MGJDCIDALJXMNH-OAQYLSRUSA-N 434.496 2.371 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)NCc3ccc(C#N)cc3)C2)cn1 1460656337 JVTASUPHZJQZBO-WOJBJXKFSA-N 437.544 2.355 30 10 IEEE N#Cc1ccc(NCCNC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)nc1 1464040490 BYTUHAXZNFKQCR-UHFFFAOYSA-N 428.924 2.193 30 10 IEEE C#CCN1CCCN(C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1465278492 MINIOGIBAQYMRR-UHFFFAOYSA-N 443.594 2.276 30 10 IEEE CCOC(=O)CC[C@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1469446224 OVURVAMSNWYZJM-AWEZNQCLSA-N 430.484 2.429 30 10 IEEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)n2ncc(C#N)c2N)c1 1470612878 XUPQGKRXDCQJFF-GFCCVEGCSA-N 425.445 2.304 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C)CCC3(CC2)OCCO3)s1 1472208554 NJOFAJRTVPQBFY-UHFFFAOYSA-N 428.576 2.195 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)C3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)CC2)o1 1472398667 BTNQXEHMEITSGY-HZPDHXFCSA-N 429.521 2.395 30 10 IEEE C[C@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H](C)N1CC(F)(F)F 1478403431 KFQALWQWYFAZQI-LXTVHRRPSA-N 433.475 2.412 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494265815 SIRMLSBKKCRKRT-DPHDRGAJSA-N 442.907 2.350 30 10 IEEE COC[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504702538 IGVHVWGCZAUVPQ-UAFUQJIBSA-N 428.537 2.010 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1505322532 PSEYSIXRTKTEKX-CQSZACIVSA-N 441.433 2.367 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1507626801 PCUDNCVLVFXOOY-GCJKJVERSA-N 446.573 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCS(=O)(=O)c1ccccc1 1507651354 NACORHOLXWGVCB-UHFFFAOYSA-N 433.537 2.201 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)(C)C)CC1 1508085878 KEJGGHHKGVESDI-UHFFFAOYSA-N 432.519 2.370 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C2CC2)C1 1508118565 SHCBEKMTXOHRBJ-GCJKJVERSA-N 446.573 2.291 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)C1 1508124641 LYEMCVZPYHTZKV-MJGOQNOKSA-N 432.546 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCSC1 1508135154 FCESNBSRGCUGEH-HNNXBMFYSA-N 436.559 2.216 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1508812796 DAHXZICZYLDJGP-IBGZPJMESA-N 446.559 2.484 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1509822866 ISIBTARPKFPFNZ-FYYLOGMGSA-N 447.580 2.380 30 10 IEEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)OC 1514329172 CTURUKSWIUCOKT-IBGZPJMESA-N 426.521 2.103 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(OC)CC2)CC1 1517609301 KXBDKGNHSKZFGJ-UHFFFAOYSA-N 437.548 2.483 30 10 IEEE N#CC1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1521114672 IDUDMHBJSBOFSJ-UHFFFAOYSA-N 437.529 2.059 30 10 IEEE C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)nc1 1531788322 ZZUNVLJRNPJVEU-DZGCQCFKSA-N 425.407 2.056 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2Cc2ccccn2)ccc1F 1531891636 MWOGPBKTJYPWNM-UHFFFAOYSA-N 429.477 2.491 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1 1538379556 GWCFTXIPTDMTSP-UHFFFAOYSA-N 446.548 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1nnc2n1CCCCC2 1539399983 WMIFGZWLWBRBPY-UHFFFAOYSA-N 435.532 2.406 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC)nc2OC)CC1 1539434325 HZISLLVMRGUMMN-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCS2)CC1 1539484476 QKJGHJISFSESSF-GOSISDBHSA-N 444.630 2.495 30 10 IEEE C=CCOc1ccc(Cn2c(Nc3cnn(C)c3)nnc2[C@@H]2CCS(=O)(=O)C2)cc1 1540879049 QYFQUUACHCOORM-MRXNPFEDSA-N 428.518 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CCC2)C1 1540882570 KOKHZEQGFVIMKL-RKXCMPKHSA-N 444.561 2.008 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(N(C)C)CCSC2)C1 1540894386 XBYNHGFWSVOKRI-SIKLNZKXSA-N 428.606 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540901078 RUXIXYWBIZXOHG-XEWABKELSA-N 446.573 2.152 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1540906069 ZTOSQGCVMPSPJQ-KRWDZBQOSA-N 433.578 2.165 30 10 IEEE Cc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)c(=O)n1 1542160209 KWGYRRBRXOWGIM-CLCOLTQESA-N 445.545 2.092 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H](C)C#N)CC1 1547703803 JSJUOBWXXKGADZ-SJORKVTESA-N 430.626 2.256 30 10 IEEE CN(C)c1ccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1552814749 QUNPGUZSUCMZJW-QFIPXVFZSA-N 425.512 2.151 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC2CCCC2)cc1 1555991428 OSHMONMKEYSOFG-GOSISDBHSA-N 438.532 2.390 30 10 IEEE C=CCOc1c(Br)cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1OCC 1560527896 AOKSUMFWAWFCRY-ZBFHGGJFSA-N 434.352 2.314 30 10 IEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2CC1 1561974613 OWRASIOBGLRHIR-QHCPKHFHSA-N 439.537 2.268 30 10 IEEE COc1cc2nc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)c(=O)n(C)c2cc1OC 1570834088 TZTWETLZEJIKFV-QGZVFWFLSA-N 447.495 2.173 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cnn(C)c2I)c(C#N)cn1CC 1584133432 ZZXKFDKMQYFJGV-UHFFFAOYSA-N 441.229 2.147 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C1CCOCC1 1585148515 BIJUUANQVQRKGR-QGZVFWFLSA-N 441.347 2.048 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)Cn3cc(Br)ccc3=O)CC2)c1 1586325854 FTQLQTIVBKQJAU-UHFFFAOYSA-N 429.318 2.263 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCOCC1 1587574256 FIYVSNNXQXEHBZ-CABCVRRESA-N 435.370 2.225 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587712199 PFDNMXLTKHYXIB-HXUWFJFHSA-N 433.516 2.090 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1588279782 BIIRMDADTAEQSF-HXUWFJFHSA-N 448.365 2.242 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(=O)NC1CCCCC1 1588673161 MHRMSHPFUSNBKV-UHFFFAOYSA-N 430.578 2.169 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(C)nn(C)c2C)CC1 1588769105 OUMBESBFOVEMQK-UHFFFAOYSA-N 434.504 2.007 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1593907740 AGKRHJPPMZITJJ-QGZVFWFLSA-N 432.960 2.278 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1594134547 SBUPLJPFISLSAT-KRWDZBQOSA-N 432.546 2.457 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1595108488 APVRTDWBVPBMBO-HNNXBMFYSA-N 447.590 2.289 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2cccc(O)c2)CC1 1595760158 KYLJSLKPUIIOQR-QGZVFWFLSA-N 433.578 2.425 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1595772565 CJPDIVHMTSEQJJ-KDURUIRLSA-N 446.573 2.405 30 10 IEEE Cc1cn2nnc(C(=O)N3C[C@H]4[C@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)c2c(O)n1 1598482359 CAZQXDNCZWRWMV-BQBZGAKWSA-N 445.270 2.381 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567252 HPSUYLDQRMYIEN-AUSJPIAWSA-N 427.567 2.055 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCS1 1603092005 VQUBQLGKPOHQRG-SFHVURJKSA-N 448.618 2.334 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1611668824 ACJDSFFNLATQBU-HXUWFJFHSA-N 427.567 2.055 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)N(C)[C@@H]1C 1613902918 JKJHPMGGMGVGFX-QCKGPHSXSA-N 442.559 2.131 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1617447652 NWGDMUFTLRZGPM-QJWGWKRISA-N 442.589 2.487 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OC)c(F)c1 1620024190 FFASGTHDCYKMDK-NVXWUHKLSA-N 433.484 2.121 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 1625441202 LLRXSMOUXLKELR-CQSZACIVSA-N 431.334 2.228 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)CCCc2ccccc2)c1 1627000407 PRWXYQMIWUGGSX-UHFFFAOYSA-N 426.538 2.353 30 10 IEEE Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1627254979 ZSNJGBDUGXVPAS-UHFFFAOYSA-N 444.362 2.003 30 10 IEEE C#CC[C@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)C(=O)OC 1629617427 PBRIDKYMDMRCOA-IBGZPJMESA-N 429.436 2.429 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)nnc1-c1ccco1 1635139010 YTEUUZVQYMYVBH-CYBMUJFWSA-N 429.506 2.436 30 10 IEEE COC(=O)CCC1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1635732056 DHXXDPGIZKXXMB-UHFFFAOYSA-N 435.546 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)C#Cc1ccc3c(c1)OCO3)CCO2 1636527805 XQXDZOBRIIRILH-UHFFFAOYSA-N 428.485 2.395 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1636699455 MHPWLHDBDKNHAO-LZWOXQAQSA-N 430.954 2.195 30 10 IEEE O=C(N[C@@H]1CCN(O)C1=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F 1637460358 UIIGCOLXVUFTFA-SECBINFHSA-N 439.728 2.295 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1638840680 HDNHSOZKBLITDT-SQNIBIBYSA-N 426.521 2.325 30 10 IEEE N#Cc1c[nH]nc1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1639694065 GQILZEOMWULUEY-UHFFFAOYSA-N 443.407 2.219 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 1640916059 IWQNXMQFQZQHIW-QZTJIDSGSA-N 433.555 2.273 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2cc(OC)cc(OC)c2)c1 1641975717 ZXRUHWOZOZAMFU-UHFFFAOYSA-N 444.509 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1649539158 KCIYEVHVIPOSIT-CQSZACIVSA-N 446.349 2.448 30 10 IEEE COC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCOCC1 1658659484 BQFYOOWPENCBGO-UHFFFAOYSA-N 442.491 2.414 30 10 IEEE COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCC3(C#N)CCC3)cc2)C1 1665430720 AYDUYIZCVBACNO-OAHLLOKOSA-N 434.518 2.076 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1667950760 GMVDWCVBTHDSLD-UHFFFAOYSA-N 434.518 2.172 30 10 IEEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1682100398 ANBCCYFLWJDUSS-OAQYLSRUSA-N 441.557 2.361 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1684304672 QHVKHQVQQIIPDP-CYBMUJFWSA-N 434.345 2.048 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1COCCO1 1690008277 CGYZJGFZUGXBPE-MRXNPFEDSA-N 445.317 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCCC1=O 1690047023 KOHRBSMXRWKLFG-JOCHJYFZSA-N 431.540 2.416 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCNS(=O)(=O)CC)CC1 1690415194 BHPFVTDAXLLIHK-UHFFFAOYSA-N 437.541 2.338 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H](O)C1 1690615786 RWHIRWWRGAPLJE-XLIONFOSSA-N 438.536 2.111 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)O[C@H](C)C2)cc1 1690679875 BRZFIOJFUGFKAY-SCTDSRPQSA-N 446.573 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690722924 BAJMNLVKFWQAHO-APWZRJJASA-N 431.562 2.253 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696381132 XEOGGBSBHAUEHL-QBEKEKFNSA-N 428.537 2.010 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)C1 1697044977 HWNFONMTIIPCBP-QUCCMNQESA-N 439.516 2.259 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)c1 1697303412 QQDCVVPVUCNMSW-IERDGZPVSA-N 431.468 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1705477020 IIBLAAPCXWRTAF-HOTGVXAUSA-N 431.924 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1cn(C2COC2)nn1 1705487520 ZTLLTDZLNSCGAV-CYBMUJFWSA-N 442.321 2.377 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1705490852 RZZSRSHFRFPMGJ-INIZCTEOSA-N 430.516 2.305 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1705560368 GEZIYYVDBYCSHR-QGZVFWFLSA-N 432.546 2.005 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1SC 1705583167 RSNFBECFBHZCMK-OAHLLOKOSA-N 432.546 2.162 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2csc([C@@H](C)OC)n2)CC1 1705640997 MMQCQFMUJZJVGH-QGZVFWFLSA-N 437.573 2.231 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2CCN(CCN(C)C)CC2)CC1 1705641339 BEVQJVOBOMPEBB-UHFFFAOYSA-N 441.668 2.040 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(COC)CCC2)CC1 1705642657 CLNGMSXIZXVGLG-UHFFFAOYSA-N 439.560 2.438 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705656642 DPMYPBLXTAUWAP-OAQYLSRUSA-N 427.530 2.351 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccn(CC)c1=O 1705669747 VLKLNXDBNGIJLA-DHIUTWEWSA-N 425.533 2.152 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705757874 AWHWDKUPCFQJQJ-MRXNPFEDSA-N 430.944 2.048 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(F)cc1 1706619348 CVDALMJBEDHASF-UHFFFAOYSA-N 448.506 2.197 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@@H](C(F)(F)F)O1 1708234379 MJSCQKYSJWDKLL-CJNGLKHVSA-N 437.422 2.410 30 10 IEEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1F 1708788109 FADFXIJEKUSTOH-IAGOWNOFSA-N 425.468 2.404 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCSC1 1711294797 FIUFKGXLMKAOBM-INIZCTEOSA-N 428.562 2.443 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CC1 1711372745 UNAOUXMRRWUVDF-UHFFFAOYSA-N 449.515 2.352 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)CC(F)(F)F 1722281484 ITKJXYYXDZAKMS-HNNXBMFYSA-N 447.469 2.263 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722366300 HTFMYGZZJNQVHA-ZWKOTPCHSA-N 449.646 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCc2ccccc2C1 1722394793 GOUIJNLQEVYXJR-AREMUKBSSA-N 447.583 2.451 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1722425238 RSKFDCRYRCUJBM-IBGZPJMESA-N 436.560 2.481 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1722501483 YPLLXQQJGJCPFM-UHFFFAOYSA-N 428.928 2.441 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1722511410 ZBUHEDUPZMJALH-LPHOPBHVSA-N 430.578 2.317 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1722593195 JUPLAXUQGBXVLF-UHFFFAOYSA-N 430.597 2.449 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1722638627 IAWDBHILYBTTMN-UHFFFAOYSA-N 447.547 2.449 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(F)cc(C)c2C1 1722702476 LFUZUNVXRDDUOZ-UWJYYQICSA-N 443.523 2.315 30 10 IEEE C[C@@]1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1724039544 HRPQFXMYYHLKMF-IFXJQAMLSA-N 448.321 2.242 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CC(=O)N1C 1726672745 UCBFUISLIGALNL-KRWDZBQOSA-N 430.516 2.381 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)cc1 1731184905 LAWHELXYBCQWAJ-KRWDZBQOSA-N 432.431 2.129 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O 1740549252 DQLVVDGDAUUJKB-MWTRTKDXSA-N 444.580 2.329 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740617862 YDCKIKBHXILMAY-ILXRZTDVSA-N 436.500 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC12CCOCC2 1740687831 HYIFCDKSVGNHQK-KRWDZBQOSA-N 443.573 2.172 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740721118 XIQZQJACXPEZKT-HXUWFJFHSA-N 437.573 2.425 30 10 IEEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1740841457 ODGOIOIGDGZTGU-UHFFFAOYSA-N 433.578 2.193 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740851325 SVCJFUJZLGIFMT-SJORKVTESA-N 437.610 2.278 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740852009 HQRHKNYNQVFULN-AZUAARDMSA-N 432.613 2.406 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740990640 YFAXEVQRKGKTPH-MRXNPFEDSA-N 445.549 2.025 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740991194 QFVDIOSGORAYFE-UHFFFAOYSA-N 432.472 2.145 30 10 IEEE Cc1ccccc1-c1nnc(N(C)Cc2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1742383355 VWYMBMXRBBCDFK-XDOYNYLZSA-N 446.515 2.150 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747868893 BYFWUDNNCVOYMR-SGRLSNSRSA-N 428.537 2.010 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCS(=O)(=O)c1ccccc1 1748685329 YHRTWOZZAYHYMZ-GOSISDBHSA-N 440.573 2.462 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1748892695 VDOSFUDBLXWXNJ-GOSISDBHSA-N 445.564 2.210 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749044527 RKFJMAZBNJFTSW-IBGZPJMESA-N 441.601 2.401 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749196182 FUKCKFXZKRGCKJ-FQEVSTJZSA-N 438.532 2.220 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1749229602 MFIPWNQSJMMCCW-AWEZNQCLSA-N 445.383 2.262 30 10 IEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749235827 WEGINJMBZKEMLS-UHFFFAOYSA-N 447.605 2.128 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCCCC2)CC1 1749329795 RTSFKOHNCWMYLE-MSOLQXFVSA-N 438.642 2.413 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1749488077 IKYWYSMYJBENKQ-CABCVRRESA-N 431.628 2.011 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1749488967 PQDSOAOUZLKILX-IEBWSBKVSA-N 433.578 2.345 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1749536633 SJCZSNYLABAWKR-FQEVSTJZSA-N 438.576 2.427 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1749550997 ONXDUNRBFPJREG-FIWNRLKKSA-N 431.562 2.413 30 10 IEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1749683315 PCWMOCLJODMPOK-UHFFFAOYSA-N 426.565 2.225 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1749744403 JOIZUOZRTQESIH-NVXWUHKLSA-N 443.639 2.060 30 10 IEEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cc1 1750033379 JTOIPVMAPPKLJE-UHFFFAOYSA-N 438.532 2.328 30 10 IEEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)F)CC2)COCCO1 1751302728 CEAMLLHHRIZZCY-NRFANRHFSA-N 432.475 2.009 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)n1 1751834291 CAZIBRKAKZNYBQ-FDDCHVKYSA-N 435.532 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C(C)C 1760101045 HJTIVBUAISWYCE-INIZCTEOSA-N 431.610 2.345 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccn(C)n2)c1 1760128640 ODYXSLOOJDKXOQ-HXUWFJFHSA-N 433.516 2.358 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCc1nc(C)cs1 1760205591 FKXMWBPQXNZVMW-QGZVFWFLSA-N 431.587 2.041 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](C)OC)CC1 1760269120 YUROBXDQBHDUGX-QGZVFWFLSA-N 434.544 2.438 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COC)C1 1760533967 XOKAKSNGVCYODR-PKOBYXMFSA-N 446.573 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1nncn1C 1760556400 CJERPCYFWWYKGK-INIZCTEOSA-N 447.590 2.001 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1760687255 HRYITEBXDIKALW-AWEZNQCLSA-N 428.497 2.046 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1761360159 HFYIQBGLWSYYMY-CHWSQXEVSA-N 437.426 2.460 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1770504294 BPUUXWIJEUKURT-JTSKRJEESA-N 442.495 2.222 30 10 IEEE CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1770596306 CZASYZIOGYXDSI-JQHSSLGASA-N 448.618 2.385 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)F)CC1=O 1771128317 XBNVYEOYUMQCSI-MRXNPFEDSA-N 432.475 2.403 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)C[C@@H]1O 1771487860 GXGCLWSXTXJJDG-COPCDDAFSA-N 438.576 2.261 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCCO)CCO2)c1 1771531786 COIBBNYOTYUGRO-PMACEKPBSA-N 438.532 2.231 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1772842438 GQGAIPQYHVUHRL-BBRMVZONSA-N 434.504 2.104 30 10 IEEE N#Cc1cccc(C(=O)N2N=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1F 1851367295 UJRPZKOTUJWKFO-UHFFFAOYSA-N 440.456 2.457 30 10 IEEE N#Cc1cccnc1N(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCC1 1851878831 QHBNMFLKNCDPFQ-UHFFFAOYSA-N 426.498 2.173 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)c1ccc(C#N)cc1 1851914460 UILGIODKXSNIBF-UHFFFAOYSA-N 429.498 2.254 30 10 IEEE Cn1ncc(N2CCC[C@@H](C(=O)OCC3CCN(c4ccc(C#N)cc4)CC3)C2)cc1=O 1852391148 XSMGGJWOHAUDEQ-HXUWFJFHSA-N 435.528 2.328 30 10 IEEE Cn1ccsc1=NC(=O)[C@H]1C[C@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1852773654 PYFNOSASUNTVIJ-NWDGAFQWSA-N 446.330 2.159 30 10 IEEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC[C@@H](COC(F)F)C3)ccc21 1854624128 OZPDSLHXNZYBBI-CYBMUJFWSA-N 441.456 2.046 30 10 IEEE CCC[C@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OC1=O 1856225874 VPYOZIRGKHIREL-IRXDYDNUSA-N 437.493 2.445 30 10 IEEE N#CCC1CCN([C@@H]2CCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1856547618 AADDHXCUJXNIMG-GOSISDBHSA-N 437.949 2.257 30 10 IEEE CCOc1ccc(CC(=O)N2C(=O)CCN(S(=O)(=O)CC#N)c3ccccc32)cc1 1856900053 ABGZUDFSSKGKLA-UHFFFAOYSA-N 427.482 2.251 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3nc(C)sc3c2)C1)[C@H]1CCN(C)C1=O 1857277065 OBNXSNPZMKNTDN-QAPCUYQASA-N 426.542 2.312 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1F 1857494692 WEDZANKLNDKUGK-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)CC)C2=O 1861534647 GWTCXAFWMYGWRI-YCRPNKLZSA-N 449.507 2.430 30 10 IEEE CCCCCCCCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861600098 NYRRJIHCAORAHP-KRWDZBQOSA-N 431.533 2.419 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1C 1862410017 YGTWNFYKHUCVLG-LJQANCHMSA-N 443.452 2.297 30 10 IEEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(C/C=C/c4ccccc4)CC3)ncnc21 1873595379 AEIVRVXRNZATSB-RMKNXTFCSA-N 446.555 2.175 30 10 IEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875230646 IWRJUGZBAYBVMZ-UHFFFAOYSA-N 429.908 2.310 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc(N(C)C)cnn4)CC3)n[nH]2)c1C 1889918388 DVVXSNRLFOLQCY-UHFFFAOYSA-N 449.563 2.285 30 10 IEEE Cc1nc(I)c(I)n1CC1(O)CC(C#N)C1 1937113567 VCHBLFXAWIFCME-UHFFFAOYSA-N 443.026 2.065 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@H]1CCCC2(CN(C(=O)OC(C)(C)C)C2)O1 2054341398 OBLJREVSKDJACZ-ZDUSSCGKSA-N 439.372 2.373 30 10 IEEE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCSC1=NCc1ccccc1 2059868302 FJMSXGRSOBJIEB-UHFFFAOYSA-N 445.566 2.453 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@]3(C)[C@]2(C(=O)CO)O1 2080358551 OHJDQDXOWURJBR-JDYTUSIPSA-N 432.488 2.483 30 10 IEEE C#CCn1ncc(NC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c(Br)c1=O 2162286499 QOWZWSFYSOUIAB-LBPRGKRZSA-N 441.326 2.423 30 10 IEEE C[C@@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255538259 IOCCNPFSECHRCE-CQSZACIVSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)NCCC1CC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255601802 JGZLDYGEDGEZCD-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626896 LRVAQHJQSHWEHH-UONOGXRCSA-N 434.346 2.275 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255826048 JOQFLBPZSXMUBL-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)(C#CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2256669853 VZKYSAGGWMZZTO-UHFFFAOYSA-N 449.382 2.365 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256676713 YZTAWRXDJQEIEE-CYBMUJFWSA-N 438.305 2.197 30 10 IEEE CCN(C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C1CN(C(=O)OC(C)(C)C)C1 2267001620 NJGLDXWBCYZHMY-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE Cc1c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142961 AWPNRAPUORZHDK-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267143217 FGJQAPQEUHQQFH-UKRRQHHQSA-N 448.373 2.378 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267176113 VPEZESGBIGPLMV-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE C[C@@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267199278 JXQAELVHHWEKSQ-LALPHHSUSA-N 444.259 2.496 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267497061 INNOASAANWYQJU-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2267531554 RRGYJOAVRXVNEU-ZIAGYGMSSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879887 MOZFSEKBUSYFEK-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2268649514 DGRRKNUPZISDOD-UHFFFAOYSA-N 445.369 2.442 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315693473 LCZNDOXEACCQNL-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2326804187 FHSOLKWNKLDWRL-HNNXBMFYSA-N 442.268 2.088 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335412839 INGJXRINVDARAF-HOTGVXAUSA-N 445.379 2.327 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)[nH]1 2337023926 KFOIZFNBPADWPV-UHFFFAOYSA-N 447.385 2.285 30 10 IEEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2nc3ccccc3s2)C1=O 16677195 QIXAHCGRIZKPTF-ZHZULCJRSA-N 425.455 2.463 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1OC 102534563 AYIGDRBDFIOULK-LCPUNJGISA-N 425.485 2.472 30 10 IEEE C#CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 111046166 BXOFFUWACRSFJG-TZIWHRDSSA-N 439.537 2.388 30 10 IEEE COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O 474196035 ZMDFVDDWHXCVDH-CQSZACIVSA-N 439.902 2.144 30 10 IEEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)Cc1ccc(C#N)cc1F 481051159 BGCCBBUGSSKYKR-UHFFFAOYSA-N 440.518 2.332 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 487023957 FGIDQVJHNJRHDK-CABCVRRESA-N 446.573 2.169 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2C)nn1 508962270 IRIMBLLJJAEAHF-UHFFFAOYSA-N 433.516 2.445 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 522194455 RMYRVFKVKRYSAF-IEBWSBKVSA-N 441.557 2.326 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)cc1C#N 522994583 AHHAWJQSYPTFFS-HNNXBMFYSA-N 440.525 2.441 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1COc2ccccc21 533169424 MCXOYAYBWZMDJF-OXJNMPFZSA-N 440.525 2.139 30 10 IEEE Cc1cn2c(=O)c(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cnc2s1 537854634 YSKGYWDNTLBHJE-HNNXBMFYSA-N 425.495 2.090 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(CNCCS(=O)(=O)c3cccc(C#N)c3)cc2)C[C@@H](C)O1 548908397 SQSKPLGBKPQKFY-QZTJIDSGSA-N 441.553 2.371 30 10 IEEE N#Cc1csc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 564137060 IDDPBRJIGXOTIW-UHFFFAOYSA-N 433.378 2.345 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)n(-c2cccc(F)c2)c1C 582374275 JBCNNEVRBMEFOG-GOSISDBHSA-N 436.495 2.422 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc([N+](=O)[O-])ccc3OCC)N2N1 588226866 GWSRXRZEBFVURI-IBGZPJMESA-N 437.481 2.056 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(F)c2)c1=O 603797175 DHZCYDJXLTYADF-UHFFFAOYSA-N 433.508 2.472 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc(-c4ccoc4)no3)CC2)cc1 729864638 NQHZPVJPJZITPW-UHFFFAOYSA-N 442.453 2.345 30 10 IEEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(F)(F)F)c1 730142482 ROGAILLFTHJZQD-HNNXBMFYSA-N 426.464 2.338 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@]1(C)CCOC1 733078071 SJPXCDOIGPZDHE-GCJKJVERSA-N 448.589 2.121 30 10 IEEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)cc1 751923733 UTMAPPAMICIMLG-HNNXBMFYSA-N 428.505 2.350 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 772276389 CSZGVLGVHFHIGI-OAHLLOKOSA-N 441.509 2.070 30 10 IEEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 774772529 LSWHRTURMUWGRY-UHFFFAOYSA-N 442.291 2.137 30 10 IEEE C[C@@H]1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCO1 776515124 HHIWKMNWGZBGOS-GPMSIDNRSA-N 433.530 2.324 30 10 IEEE CC(C)[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(F)(F)F 787959937 NYIQMGUIQYJYFV-YNNOXIHVSA-N 448.467 2.141 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c(F)c1 790868563 ZWXVYWUZMKLKSG-INIZCTEOSA-N 426.853 2.275 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(N3CCN(C)CC3)n2)C1=O 793985361 AKYPMVOOKVVNLV-JOCHJYFZSA-N 430.553 2.149 30 10 IEEE Cc1ccc(CN(CCO)C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)o1 794315895 DHFJBJKLTUAVFO-GOSISDBHSA-N 433.530 2.062 30 10 IEEE Cc1oc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c(C#N)c1C 796421965 DWYCSOOBZOYEAQ-DNVCBOLYSA-N 441.488 2.372 30 10 IEEE N#CCCCS(=O)(=O)NC(=O)c1ccc2cc(I)ccc2n1 796811516 JPUQOKPIYNSEPP-UHFFFAOYSA-N 429.239 2.203 30 10 IEEE C#CCC(CC#C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 807168101 COSJOSUFQMKVOU-ICSRJNTNSA-N 429.561 2.404 30 10 IEEE C=C(Br)CNC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 810223592 NMJUMWDUTQKKLT-WJQMWINMSA-N 441.325 2.491 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COC(=O)CC1(C#N)CC1 815414116 QXLPOEHXUQWVFL-UHFFFAOYSA-N 449.529 2.435 30 10 IEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3c[nH]c4ccccc34)n2)o1 1084136378 OOTSKWBZYFLGDB-UHFFFAOYSA-N 425.478 2.086 30 10 IEEE CN(c1ccc(OCC(=O)N2CCO[C@@](C)(C#N)C2)cc1)S(=O)(=O)c1cccs1 1134489489 BPYHUEJKUYUTHV-IBGZPJMESA-N 435.527 2.093 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1135213345 MJIMVTOHDNFTBO-UHFFFAOYSA-N 429.590 2.428 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)C1 1136214127 OVOHFFNQMPSVFG-HNNXBMFYSA-N 435.521 2.234 30 10 IEEE CCn1c(S)nnc1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1146633776 RGVYFPHWECXCDQ-UHFFFAOYSA-N 435.351 2.016 30 10 IEEE CN(CCNC(=O)C1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1)Cc1ccccc1 1148288035 NBTKZXUOPKCUDE-HSZRJFAPSA-N 434.540 2.078 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12)c1cc[nH]n1 1161705809 RFSXVXQAHKREEP-CYBMUJFWSA-N 429.452 2.072 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1167170084 LYBBCDCMJXTXPA-DOTOQJQBSA-N 435.546 2.237 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1171440813 UJOZRBOMDFWMRU-CABCVRRESA-N 445.944 2.083 30 10 IEEE COc1cccc(/C=C(/C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n2nnnc2C)c1 1171843715 XNASTINFBZRTLE-XKZIYDEJSA-N 447.474 2.348 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)NCCS(=O)(=O)CCc3ccccc3)CCO2)cc1 1235672293 MVULMKGTRJMTKY-OAQYLSRUSA-N 427.526 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CCN(CCc2ccccc2)C1 1286410002 VFQRNICFRGCVID-QFIPXVFZSA-N 425.540 2.373 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1ccc(N(C)C)nc1 1286415425 BVBIXXHNTYCJMC-UHFFFAOYSA-N 430.512 2.448 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCn1ccnc1C 1286460382 XMHBUSJEASUERI-UHFFFAOYSA-N 446.353 2.337 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286460425 NDUWBMCNPNQPDQ-PMACEKPBSA-N 436.560 2.402 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(C(=O)NCC)CCC2)CC1 1286490850 USDMXCUDCVBILI-UHFFFAOYSA-N 440.592 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N(C)C)CC1 1286493852 GXBYFELCBILLNG-MISYRCLQSA-N 444.624 2.113 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1286515318 HAURVIVCBMWFEA-DNQXCXABSA-N 437.544 2.264 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286618854 IEZADEKIFWLSPJ-UHFFFAOYSA-N 430.940 2.192 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)CC1 1286664052 SMGZIECHXRYEPP-MRXNPFEDSA-N 445.536 2.059 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286682128 DZNQJGXWJLFMGZ-QFIPXVFZSA-N 435.536 2.240 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286700616 JTBGEUZVELQCFQ-IXDOHACOSA-N 430.553 2.499 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1286727570 UNNGLHSKYSCSTA-INIZCTEOSA-N 436.557 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)no2)CC1 1286816603 HSINCFDNSLVJBV-MRXNPFEDSA-N 436.582 2.011 30 10 IEEE CC(C)OCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1288368865 VZSYTGNITBVTFY-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE CC(C)n1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1288518168 SCPWZBCBDYCOMN-JKSUJKDBSA-N 448.531 2.253 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1 1289828461 OZHOAUPGFBEQLF-IBGZPJMESA-N 426.521 2.057 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1291806059 YWNLOAKLNAPQOR-BMGDILEWSA-N 438.488 2.236 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(NC(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296611059 DCRNQDIXDXETAI-JOCHJYFZSA-N 428.537 2.410 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 1300206117 DFTZSXRBWNAUFM-VGSWGCGISA-N 426.542 2.006 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1300276754 QQYMDUXHNRPOTG-SZNDQCEHSA-N 432.546 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1300305284 TXDWDSRTWXGEJH-QLCIJSRNSA-N 438.557 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](NC(C)=O)C1 1300870444 SLVPCLIGUAZOAW-NBYUQASBSA-N 435.569 2.088 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1301151723 PVPDJPLGGYDBFK-INIZCTEOSA-N 431.562 2.446 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1301222925 JMOZMOSYOKSSLP-DLBZAZTESA-N 425.599 2.450 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1301458624 DDBZEIPANZOWBL-IRXDYDNUSA-N 431.541 2.161 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CC=CCC1 1301968857 QXGYYYYXTVNCGN-IBGZPJMESA-N 435.580 2.310 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 1301969420 WUQZDFCMIZMORX-GVDBMIGSSA-N 434.541 2.361 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1306528492 IDGCFMSBAYDHTG-YADHBBJMSA-N 443.573 2.383 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCc3nnc(S)n3C3CC3)CC2=O)cc1Cl 1306577820 QDGJKLBRZMZJFO-GFCCVEGCSA-N 430.921 2.139 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)n(Cc2ccccc2)c1C 1308138922 AIPRFZMIZVNGJD-DHIUTWEWSA-N 435.572 2.494 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1 1314540128 CZHWDHPOHPHXEH-UHFFFAOYSA-N 431.566 2.142 30 10 IEEE CN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1314850645 LNAGCLULXLQKRV-IAGOWNOFSA-N 434.541 2.158 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1315164690 GPJRBRMWWWACSM-JPYJTQIMSA-N 440.548 2.065 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)OCCc2sccc21 1316097773 HTZIKBRTVXEDMC-NRFANRHFSA-N 446.577 2.332 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1316189480 NIICJYFQJPYWNO-PGRDOPGGSA-N 434.585 2.243 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCCO)C1 1316527475 LVHXUZIUBBZHPZ-OAQYLSRUSA-N 426.452 2.441 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCCO)C1 1316528542 XOFSVIVWNYKALX-FQEVSTJZSA-N 449.556 2.233 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1358918875 JVGQDQBDJKMPKX-UHFFFAOYSA-N 442.951 2.446 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Sc2ccccc2)CC1 1359028120 HWAVZUKPWNTUFC-IBGZPJMESA-N 438.601 2.450 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cc(C)nn2C)CC1 1359038692 GFMMMPZSSPUPTF-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(F)cc2F)CC1 1359045095 WZLSIYCAZJRJFA-KRWDZBQOSA-N 429.471 2.074 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359202500 VOCHQGIHJJEVAS-GOSISDBHSA-N 429.569 2.313 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359205864 MGZSNHSNBYPOGI-FQEVSTJZSA-N 441.580 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCOC2(CCC2)C1 1359329469 JROYWCQWQZNQGT-UHFFFAOYSA-N 432.546 2.314 30 10 IEEE C=CCC1(C(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CCOCC1 1447984029 WQGKLBKEMBXKNT-GOSISDBHSA-N 435.565 2.430 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(n4cc(Br)cn4)CC3)CC2)o1 1462669496 QTTQXBFNGWQWAA-UHFFFAOYSA-N 433.310 2.336 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)CC2)cc1 1463832785 AXUOERSBXKUXOO-UHFFFAOYSA-N 431.456 2.395 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)CC1 1471142878 DCPWSTSPQVNIRT-SFTDATJTSA-N 439.560 2.362 30 10 IEEE Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1472618861 LNKIMASIRNSBSX-FQEVSTJZSA-N 435.480 2.390 30 10 IEEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@@](C)(O)c1ccccc1 1473572955 IEYKEIRARXONRK-XMMPIXPASA-N 449.511 2.294 30 10 IEEE CC1(N2CCCC2)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1473695604 UNFSIQMRMUSJNQ-JOCHJYFZSA-N 427.568 2.485 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1478285340 WRMSRSMBTBREPG-GOSISDBHSA-N 437.562 2.248 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCN1C(=O)OC(C)(C)C 1478402810 FVNTUFGXOZLDSO-LVQVYYBASA-N 437.541 2.443 30 10 IEEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)OC 1495032399 DIOCOJFJPRBWDX-LPHOPBHVSA-N 426.521 2.116 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507571489 CQMKFEFQPAKYTD-CMOCDZPBSA-N 445.608 2.353 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507588952 SMXOIYFWFUHAGL-IAGOWNOFSA-N 446.577 2.484 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(CC)C(C)C)CC1 1507723308 CSXPXXXPRSNKBH-UHFFFAOYSA-N 448.575 2.079 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1507740093 OFRGLCBQGQTNRW-UHFFFAOYSA-N 448.571 2.452 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1507796315 OGGPGZQKGJIMMT-CTNGQTDRSA-N 425.533 2.221 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1507847145 CRGPHNBPXFFQHG-UHFFFAOYSA-N 433.484 2.477 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1508084320 MMLTWFZAXNUYHA-UHFFFAOYSA-N 437.592 2.267 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](SC)C1 1508091054 KBKQRGBQVWONDF-HNNXBMFYSA-N 448.618 2.294 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)on2)CC1 1508130308 HMNDQLALMGDBHY-INIZCTEOSA-N 436.582 2.011 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCCCC2=O)CCOC1 1509788162 IIGYVEGPILKKNU-PGRDOPGGSA-N 432.569 2.460 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(=O)(=O)Cc1ccccc1 1516523843 CRGYEWDGFUCMLC-HXUWFJFHSA-N 435.525 2.262 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)c1 1527172460 HMVZORJCUAWBGV-HXUWFJFHSA-N 442.313 2.387 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C2)nc1 1527491123 NNJNMMWAWXEFNW-DOTOQJQBSA-N 442.269 2.477 30 10 IEEE CNC(=O)[C@H](CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)Cc1ccc(F)cc1C 1537463444 MXMICTZPUFWIJG-SFHVURJKSA-N 441.507 2.240 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539140625 ALULUTQSYJABRV-FKBYEOEOSA-N 444.624 2.020 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1539498324 SEUWGJFNZUUBDD-ZWKOTPCHSA-N 445.564 2.444 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)CC1 1539889871 CRCWWDKKCRZQBA-HNNXBMFYSA-N 435.516 2.077 30 10 IEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540026247 BLNBYCLPKKEGAS-SFHVURJKSA-N 442.495 2.150 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1540189282 OILQMRYOVRVWAM-WZONZLPQSA-N 443.548 2.326 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccn2)CCC1 1540201495 WCINJENFEBBLNJ-SFHVURJKSA-N 445.589 2.336 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540862900 LRJHOBFQZBPEME-WMZOPIPTSA-N 440.548 2.004 30 10 IEEE N#C[C@H](NC(=O)COc1nsnc1N1CCOCC1)c1cccc(C(F)(F)F)c1 1543007488 IFPKMOPBKVFIAJ-ZDUSSCGKSA-N 427.408 2.153 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1545156134 DKVFIPLMDGLWMI-TUPYQCFKSA-N 439.545 2.197 30 10 IEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1554245757 CVKVVAPPTXGAIA-QHCPKHFHSA-N 441.532 2.397 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1555687817 OMWASVLNEXEOHP-AVRDEDQJSA-N 426.521 2.381 30 10 IEEE CSC1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1555866404 FSJDSJGBJXRIKN-QGZVFWFLSA-N 447.634 2.190 30 10 IEEE CN(C)C(=O)NC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1556701500 SIQZWSWFGZSXPJ-JXORXQGFSA-N 433.553 2.035 30 10 IEEE C#CCN(C(=O)CCn1nnc2ccccc2c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1558369992 FJFNJLVMQYJMPD-UHFFFAOYSA-N 439.516 2.043 30 10 IEEE C#CCN1CCC(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)CC1 1558422678 HRFVCHRWMODKGT-UHFFFAOYSA-N 436.541 2.287 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CN(C)Cc3ccccc3)C(C)C)CC2)o1 1559774874 FXIVCNSIRJJTDE-QFIPXVFZSA-N 438.576 2.250 30 10 IEEE N#C[C@H]1CN(C(=O)NCC2CCN(C3CCOCC3)CC2)CCN1Cc1ccccc1 1565051239 CFSCYTHDXYIVGV-QHCPKHFHSA-N 425.577 2.297 30 10 IEEE C[C@H]1COCCN1CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1565647335 SWFTZMRKKVHFLR-OXJNMPFZSA-N 428.533 2.229 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCc1csc(-c2ccccc2)n1)c1cc[nH]n1 1566380387 NBTWFOGJKJYQFC-UHFFFAOYSA-N 427.486 2.176 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)C(=O)OC 1568154359 HEXWDDBBTSUYDW-PGRDOPGGSA-N 434.492 2.471 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(=O)NCCN2CCCCC2)cc1C 1569057060 AYQGHRHZHULWFF-UHFFFAOYSA-N 436.560 2.413 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1570417967 BARDWOSISKKGQF-SJORKVTESA-N 428.558 2.347 30 10 IEEE C#C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1 1570678214 VREMEGZGMDDIAT-BAGYTPMASA-N 426.538 2.425 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1587551033 YBTUMQKEXDTSII-CYBMUJFWSA-N 447.442 2.350 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588034025 AAKUIHQAAHPKAD-ICSRJNTNSA-N 446.573 2.251 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(F)cn1 1588280111 GCRHOKYYTHBXNZ-UHFFFAOYSA-N 442.520 2.237 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCN(C)c2ccccc2)CC1 1588806412 POUPLFQKBVSJRB-UHFFFAOYSA-N 430.560 2.407 30 10 IEEE CC(C)c1cc([C@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 1594671040 OUJPBVLTUXBPBJ-RDJZCZTQSA-N 429.546 2.478 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1595418619 QXTRGNIHYRKPKW-UHFFFAOYSA-N 437.592 2.363 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)cs2)CC1 1595562015 LEUOQQTZPGQRIN-UHFFFAOYSA-N 443.602 2.324 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)C1 1595722783 NCSDZHMZPSZIQB-JKSUJKDBSA-N 438.500 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1595761005 WBBVZVPZQDWZCR-UHFFFAOYSA-N 446.552 2.340 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1595776714 DLHFWVAVIRWXDC-UHFFFAOYSA-N 443.529 2.057 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCOC2(CCCCCC2)C1 1595799032 VVBRGIPEHAPJJV-SFHVURJKSA-N 438.594 2.312 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1606957221 CMLNQSVRFFFYOR-SFHVURJKSA-N 445.593 2.388 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1611308302 NUYJEIDGDNRPJA-RDGPPVDQSA-N 444.559 2.257 30 10 IEEE CCN1CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1=O 1615834254 NAVDKEDMQWFOAP-UHFFFAOYSA-N 434.500 2.471 30 10 IEEE C=CCn1cc2ccc(NC(=O)c3ccc4c(c3)S(=O)(=O)N(CCOC)C4=O)cc2n1 1617520448 JEAPNVIXGBQJCM-UHFFFAOYSA-N 440.481 2.266 30 10 IEEE CO[C@@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1618941395 IJQQZNFBRYMROT-DOTOQJQBSA-N 434.541 2.361 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1COCCO1 1619446573 WKXLGESRZFCVHF-GOSISDBHSA-N 427.505 2.411 30 10 IEEE C#CC1(NC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CCCC1 1622810250 CVMWQOBQQOEVTH-UHFFFAOYSA-N 432.528 2.435 30 10 IEEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1625144504 RMNMSMROVNVZIM-FZQSFKQPSA-N 440.544 2.247 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1628901420 YFOYCDVLYFGUCJ-HNNXBMFYSA-N 448.296 2.338 30 10 IEEE C#CCN(CC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC(C)(C)C 1629199642 SOBYGCDXLOUFPZ-UHFFFAOYSA-N 449.573 2.135 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)s1 1632337864 GBMAALYDFCBCIE-QFBILLFUSA-N 433.599 2.392 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)C1 1638393048 VGZXWTZLBFUOOO-OAQYLSRUSA-N 446.617 2.034 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1641499874 PLLXXWKJJZIXPZ-HXUWFJFHSA-N 447.944 2.148 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1cccnc1 1642606276 FXZURYQZPDXMFQ-XHSDSOJGSA-N 441.912 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1nnc(O)n1C1CC1 1643999708 SIWPKINVKYSJQG-SFHVURJKSA-N 438.488 2.341 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(N2CCN(C)CC2)cc1 1649015023 ZXLGHIHHLWLORF-NRFANRHFSA-N 428.577 2.404 30 10 IEEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc1-c1cccnc1 1651711527 UHSRLAARSZLSOV-UHFFFAOYSA-N 442.467 2.097 30 10 IEEE C=CCN(Cc1csc(CN2C(=O)c3ccccc3C2=O)n1)[C@H]1CCS(=O)(=O)C1 1652735038 NWXPEDIFEFQYFJ-HNNXBMFYSA-N 431.539 2.114 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)c(Br)cc2F)cn1 1655958271 HECYUPXARAAUHM-UHFFFAOYSA-N 444.282 2.073 30 10 IEEE CS(=O)(=O)C[C@@H](NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)c1ccccc1 1671055018 HEJOTBOWFSFKQV-RTBURBONSA-N 427.530 2.325 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1 1675523663 KFTNVQGHZBNFFT-ICSRJNTNSA-N 432.590 2.004 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1689985938 FNIUUUUIIZEQNU-INIZCTEOSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1690026802 LWEZFTSTPYYFRK-UHFFFAOYSA-N 440.569 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1690048804 OYVLYEILJIJELN-GOSISDBHSA-N 443.548 2.086 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1690122360 OSFDZWSXWHCNOD-OALUTQOASA-N 442.951 2.026 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690159817 NGVCDRRJXZEXAW-QFIPXVFZSA-N 441.557 2.188 30 10 IEEE C#CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CCS(=O)(=O)C1 1690185968 IXCQRHJMYKUXML-INIZCTEOSA-N 434.591 2.287 30 10 IEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1690310271 ZDZPOXPLOHDNPT-UHFFFAOYSA-N 439.520 2.147 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690508295 FSZJUMMGTQTVCG-IBGZPJMESA-N 445.568 2.169 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1690619879 HKYALWZKXLIZDW-KRWDZBQOSA-N 446.577 2.222 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC(C)C)CC1 1690859662 SNAYCUGRHUQDEG-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1692784313 UXLJQABYPUDWRW-NSHDSACASA-N 446.455 2.180 30 10 IEEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)cnn1C 1692934830 JNIHCSUDJYVRFS-QUCCMNQESA-N 432.532 2.250 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C#N)o2)C1 1693892761 XIUKMCJGMQTVPQ-INIZCTEOSA-N 441.536 2.204 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCOC1 1696646765 FVLQXTDCRIUIBY-QGZVFWFLSA-N 426.521 2.116 30 10 IEEE CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1697024381 HMNZSTQHIORJOZ-UHFFFAOYSA-N 426.546 2.260 30 10 IEEE CO[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697119839 LUVBRCSSQAGWHG-CVEARBPZSA-N 438.561 2.342 30 10 IEEE COCCCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1698010415 XPMYHMHQKVSAEJ-PGRDOPGGSA-N 442.495 2.135 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2CC(=O)NCC(F)(F)F)c1 1698484243 HEZDMSJFPWCHRT-DLBZAZTESA-N 448.449 2.358 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1705495350 OPBUGYDGDFDEAB-BXWFABGCSA-N 449.552 2.012 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2=CCCOC2)n1 1705631990 ULGZJDQGXUVCTP-NRFANRHFSA-N 440.548 2.349 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1705669870 ZHQFAJKQIKHTDS-FYYLOGMGSA-N 432.565 2.366 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705894666 GYYMJMNCODJYTR-UHFFFAOYSA-N 426.521 2.163 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1705981366 PNYZTRHJLBNNJD-UHFFFAOYSA-N 449.559 2.049 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1707218951 FKCCPAVGXUIOEZ-WIYYLYMNSA-N 429.546 2.071 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1710267809 BNSUZGXLFVHCBR-UGKGYDQZSA-N 437.592 2.316 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1)C(F)(F)F 1711530282 VLDCYFYNKZZMPP-CVEARBPZSA-N 436.438 2.486 30 10 IEEE COc1ccccc1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1711989622 UTFMHGQJFHXNCU-WMZHIEFXSA-N 441.532 2.299 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CCOCC1 1712754348 HBSOTRXJUOZEOF-UHFFFAOYSA-N 431.587 2.298 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 1722353758 ZNZTWXZCBJQFNZ-NRFANRHFSA-N 435.594 2.330 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(N(C)C)CCC2)CC1 1722438864 FIHYYTYBJWFANE-UHFFFAOYSA-N 428.531 2.387 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1722511208 XSMXMDMKPWBNHM-YLJYHZDGSA-N 436.553 2.470 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 1722541726 QUKBAQBNCASGQG-HSZRJFAPSA-N 438.532 2.343 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1722564401 PGLSVSBPTHWAGE-QGZVFWFLSA-N 425.533 2.493 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1)C1CC1 1722646236 FQBIHVIKXCKCGY-QRWLVFNGSA-N 425.599 2.374 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCC(OC)CC2)C1 1722712631 WVLBGOFILYITSC-FQEVSTJZSA-N 443.596 2.349 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1722720265 AISRQSHOLYMHFZ-IBGZPJMESA-N 445.589 2.403 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1722735320 MFWZVRNKXDZWGN-UHFFFAOYSA-N 431.562 2.168 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722743382 XZBTYAZKWVQGPS-FQEVSTJZSA-N 445.637 2.217 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722938300 MQUKCBHUPITMSQ-FMQUCBEESA-N 442.564 2.400 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1729999207 DYLLBDTUHPDYTI-JKSUJKDBSA-N 433.896 2.141 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740622623 FFNCCUMMDVHHTR-DLBZAZTESA-N 441.557 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OCC)c1ccccc1 1740639033 ROQUPNMLSCCDCJ-PMACEKPBSA-N 426.542 2.031 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1740741017 CDACZQXUKKNKHM-AWEZNQCLSA-N 440.729 2.458 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740754488 FVPQHRAWJXJUEM-UYAOXDASSA-N 445.589 2.316 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1740951745 MKNMOPHAVZZRHY-UHFFFAOYSA-N 442.907 2.393 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)C1 1740980884 RXLAGWPMWKMOTD-CABCVRRESA-N 447.337 2.216 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740983102 BCGNYMKOCYSHQW-MOPGFXCFSA-N 437.610 2.074 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(N2CCc3ccccc32)CC1 1740991829 GCIGPBVCIOAWTH-UHFFFAOYSA-N 429.590 2.473 30 10 IEEE CC/C=C/Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1745113784 PMHWIAXXOXVCON-NFOSPISASA-N 437.548 2.490 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1748661109 ANTSQGSDNMXIRS-AWEZNQCLSA-N 431.422 2.267 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1748825474 ZPPBSASYZXDUJU-DOTOQJQBSA-N 449.602 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[C@H](OC)C(F)(F)F 1748888283 RIJGKWLLJFMIBO-INIZCTEOSA-N 437.422 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1748903327 XDONSWWDYSFYHW-DEOSSOPVSA-N 435.503 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1748912990 NMVHOLLMUSQMDC-OAQYLSRUSA-N 443.939 2.329 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749097528 CICZGIOMHSWQLT-OAHLLOKOSA-N 439.402 2.491 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1749450895 WQXNNHFDBUEJPB-UHFFFAOYSA-N 448.531 2.240 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681430 AZJSBKOKGOYTMC-AUSIDOKSSA-N 447.580 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](COC(C)C)C1 1749724815 NLOHATJLGKYHCL-QGZVFWFLSA-N 438.550 2.078 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(OC)CCCC1 1750030099 SXQPFZPLVRHNFH-HKUYNNGSSA-N 432.569 2.138 30 10 IEEE CC(C)=CCCn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1750539481 UNCCWFPRSINOAN-UHFFFAOYSA-N 432.536 2.332 30 10 IEEE Cc1cccc(C)c1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1751594600 CJMCQYYPKNYVEU-UTKZUKDTSA-N 431.537 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1760096215 HQBLVGJDUXZBMN-PBHICJAKSA-N 442.951 2.234 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)NC)c1 1760111768 SSVSCQQLRBGVLE-OAHLLOKOSA-N 434.500 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760112549 IXULHQBUDOATOB-IRXDYDNUSA-N 432.546 2.113 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([S@@](C)=O)CC1 1760171847 IWHSDOCAAPEMBO-SSEXGKCCSA-N 435.594 2.373 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760184941 ZLPZRSNBAUERPF-NVXWUHKLSA-N 434.587 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCS(=O)(=O)C1 1760195822 LIOQNYLZIMIWEE-GOSISDBHSA-N 448.552 2.233 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760199580 AHTGMILYLWWGMX-SFTDATJTSA-N 431.519 2.364 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(N(C)C)nc2)CC1 1760258494 YMWYJAVMVJLBJP-UHFFFAOYSA-N 431.544 2.218 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCNS(C)(=O)=O 1760289714 RNYRHWQOGOAMTM-IIBYNOLFSA-N 449.552 2.489 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760555582 IJLHHVAFLCGRMA-SFHVURJKSA-N 445.593 2.042 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1761358697 CNADNWFAKXNSJM-RDJZCZTQSA-N 445.545 2.422 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1764298144 HHAFXTHYKRNTOI-GOSISDBHSA-N 431.562 2.381 30 10 IEEE CCN(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1764924822 AZQBDSRYMFVEMO-NHCUHLMSSA-N 434.548 2.490 30 10 IEEE CCN1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1 1765412297 WQUQJTIYHZYOSR-GDBMZVCRSA-N 448.369 2.117 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1767575928 OJHSXSYODIXAMI-SJLPKXTDSA-N 432.532 2.094 30 10 IEEE COCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771028561 VDAOZVBESUJGHZ-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCOCC(F)F)cc1 1771534504 DCIZLFMBBWMRTB-JKSUJKDBSA-N 449.414 2.125 30 10 IEEE COc1cccc(C#N)c1OCC(=O)Nc1nc(N2CCN(Cc3ccccc3)CC2)n[nH]1 1851703995 LUXRWFDKEAEYFN-UHFFFAOYSA-N 447.499 2.025 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)CCN2Cc3ccccc3C2=O)cc1 1852158043 VIKFJYZUZYQEKN-JOCHJYFZSA-N 449.507 2.227 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 1852899703 KWRPFSUBBNEKJK-UHFFFAOYSA-N 435.406 2.412 30 10 IEEE N#Cc1cc2c(cc1CC(=O)OCCNC(=O)c1cn3cc(Cl)ccc3n1)OCO2 1853315565 WRFHCNUWUSCNFG-UHFFFAOYSA-N 426.816 2.104 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2=O)c1 1854022283 IKJITEWBCUDOJF-UHFFFAOYSA-N 435.864 2.218 30 10 IEEE CCOCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(CCC#N)c3ccccc3)ccc21 1855124544 KEQPTTZREZZWEO-UHFFFAOYSA-N 427.482 2.248 30 10 IEEE C=CCn1c(C(=O)N(CC)CCc2ccncc2)cc2c(NCCOCCO)ncnc21 1875230560 FIQMOCSODRVSHU-UHFFFAOYSA-N 438.532 2.138 30 10 IEEE CCn1cc(C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)c(=O)c2cc3c(cc21)OCO3 1890874432 BECPYDZVADNFBD-HNNXBMFYSA-N 432.436 2.310 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1962843158 KMIATITZPDAZLE-VQTJNVASSA-N 428.533 2.249 30 10 IEEE C=CC1(NC(=O)[C@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2019461552 JHYDNVYFVBQOPO-QZTJIDSGSA-N 429.517 2.396 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)C1 2023961311 CTDIRUSAPDCIOP-UHFFFAOYSA-N 439.553 2.478 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060624310 WZJZYUIMSXIQPN-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(OCC#N)c1 2164487102 JJUFCCJKVCZAGJ-HXUWFJFHSA-N 431.445 2.355 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1OCC#N 2164488139 TYCKFMRZNBXXBH-FQEVSTJZSA-N 431.445 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NCC#CCCO 2225756847 JTWZTNGLMTWJQN-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255626604 HZLDIKQWGVRKPT-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255656481 AZLNMTBXNPOAHO-WMLDXEAASA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256018116 XCLNQHJTZMRDOQ-HZPDHXFCSA-N 432.326 2.477 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2256925008 QVWKLOQXCBQJRO-KRWDZBQOSA-N 428.294 2.104 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2259163994 MEBOQBLBAINBSZ-KRWDZBQOSA-N 435.374 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H]2COC[C@@H]12 2266062172 SKOYFHUMCUQMSF-IMJJTQAJSA-N 449.332 2.248 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2267091449 IVVXKFWOACUSTF-JLCFBVMHSA-N 448.373 2.332 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2267140700 SHWJBSJXZNFSTE-WSTZPKSXSA-N 436.365 2.349 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267147584 VXQBGTWWXFWENU-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267273119 ICKRPUOOROIHCL-HXUWFJFHSA-N 436.365 2.416 30 10 IEEE Cc1c(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493295 HVNQDSXGDFGDKD-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504102 NLNPVXLYLNWJNX-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CC2 2267547879 OIGSHBVUEQMNMB-HNNXBMFYSA-N 444.341 2.048 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2267551405 LXGWUNZQAZQLOK-HNNXBMFYSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267587770 CBVPDVPULLMVLY-GOSISDBHSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267730410 ZIYHUIHOJPCLNF-ALXJQNPVSA-N 444.337 2.287 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2268632317 IWXHNHDNHRHJQB-INIZCTEOSA-N 447.341 2.001 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268636032 YHKGXZOUPHCWBF-KSSFIOAISA-N 446.353 2.102 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2270597818 IHTPMANUTCPKID-CQSZACIVSA-N 441.259 2.054 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c(C)c1 2296110315 MRJQOCWLROBFSI-OAQYLSRUSA-N 437.496 2.153 30 10 IEEE COCCO[C@@H]1C(=O)N(C2CCN(C(=O)c3cccc(C#N)c3)CC2)[C@@H]1c1ccncc1 2297646921 YCPBFQFRAMDLMK-YADHBBJMSA-N 434.496 2.173 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2302369921 OXGCKHYAINRLSH-KRWDZBQOSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](N)C#Cc1cccc(Br)c1 2313858211 DWDIXLGHBLQVKJ-GJZGRUSLSA-N 431.352 2.066 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315646494 UUVJKVZLNJFMOV-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2319943808 KCKFAPHULOVJRS-MWDXBVQZSA-N 435.374 2.279 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(OC)c2)cc1 2329260302 NWURQYBRGWSCGK-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)cc1O 2331612520 JWWAPDPEJAJMSY-UHFFFAOYSA-N 427.486 2.126 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2337203363 WPXYPNAVAXVONI-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339457247 XLQXMGSIWAYKOT-ROUUACIJSA-N 443.353 2.322 30 10 IEEE COc1[nH]c(=NC[C@@H]2COCCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2339787767 FRBARAGINUKNKE-LJQANCHMSA-N 439.365 2.124 30 10 IEEE C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O 33910605 BMJHXVKQZWGFME-LDADJPATSA-N 445.431 2.139 30 10 IEEE CCOC(=O)CN1C(=O)/C(=N/n2c(S)nnc2COc2ccccc2)c2ccccc21 59168817 VHDHTTKFENXKRN-LYBHJNIJSA-N 437.481 2.308 30 10 IEEE COc1ccc(C=NN2CCN(c3ccncc3S(=O)(=O)N3CCCCC3)CC2)cc1 252600466 DRLYVZNTGWGBBO-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 254692803 YWXNOQPKWCDLBH-APWZRJJASA-N 444.534 2.255 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)ccc1Br 409941511 KBEHAJHNQHNRBV-DOMZBBRYSA-N 431.294 2.094 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)cc1 440582427 HUSSUQVQQYBNFU-HNNXBMFYSA-N 436.468 2.377 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(c4nc(CC)ns4)CC3)cc2C1=O 440844872 QEJSXZSCPZHHTF-UHFFFAOYSA-N 425.514 2.235 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1O 442929654 GFXLKCITAMCQSI-SNVBAGLBSA-N 429.376 2.468 30 10 IEEE C=CCN(CC(=O)NCc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(OC)cc1 447699617 QKHVACNTRKXYSJ-UHFFFAOYSA-N 440.525 2.374 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2)o1 489293620 YVFBBQSHDDFFRS-FQEVSTJZSA-N 445.479 2.328 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1S(=O)(=O)NCC#N 505172141 AMQVWAXLDLYNGN-SFHVURJKSA-N 441.557 2.350 30 10 IEEE C=CCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1C(F)(F)Oc1ccccc1 508816143 GNSJJOIKNYVIKU-UHFFFAOYSA-N 441.504 2.453 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 508854513 DBLDVPTYOARMHJ-UHFFFAOYSA-N 446.515 2.430 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508901803 HCUPZTPWEMRAHA-UHFFFAOYSA-N 443.458 2.153 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[C@@H]1c1cccnc1 510822060 RMETVPDHJPDJCU-REWPJTCUSA-N 440.507 2.370 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CCO2)c1 512255208 XJEFZSKPPPWZDB-RBBKRZOGSA-N 434.496 2.321 30 10 IEEE COc1cccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C2CC2)c1 544833961 OPVIXRSKKMQONF-ZJSXRUAMSA-N 445.523 2.363 30 10 IEEE Cn1cc(-c2nc3ccccn3c2NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 544886759 LVONBJKJDVEJMK-UHFFFAOYSA-N 427.472 2.356 30 10 IEEE CN(C1CCN(c2cnccn2)CC1)S(=O)(=O)c1cccc(Br)c1C#N 557847363 IPTMFBLTJSHBTM-UHFFFAOYSA-N 436.335 2.400 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C#N 603999904 CHHCZPONJXPWAI-UHFFFAOYSA-N 442.544 2.498 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 609116700 XJZNYIPZMXQVKZ-QGZVFWFLSA-N 442.541 2.290 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)C1=O 673320938 CIBCGMRDIPCZPZ-UHFFFAOYSA-N 444.900 2.325 30 10 IEEE NCC#Cc1ccc(Cl)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979800 SGRKESBMGVFLJU-UHFFFAOYSA-N 431.901 2.078 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)ccc2c1=O 732173656 BIOWYVHUFIDLTD-INIZCTEOSA-N 426.542 2.346 30 10 IEEE C[C@@H](NC(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N1CCCCC1 732399516 RBLAKUSUKOHCPL-MRXNPFEDSA-N 436.468 2.420 30 10 IEEE CCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 732795783 XNOWSWKWYIRQOC-UHFFFAOYSA-N 443.532 2.134 30 10 IEEE Cc1cc(F)ccc1N1CCC[C@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 735333298 XWFFTMDMLJLYMT-IBGZPJMESA-N 445.472 2.023 30 10 IEEE COC(=O)[C@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)c1ccc(C#N)cc1 741735274 YWDHYRHYHYPAEF-GOSISDBHSA-N 425.470 2.215 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2nc3ccc(C)cc3[nH]2)C1=O 744431328 GWICXFNRBWZDPI-JJEKXKKKSA-N 436.541 2.445 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1C#N 746785102 MRLOQPOVYSRXJL-UHFFFAOYSA-N 447.539 2.373 30 10 IEEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1Cl 762518271 BQOOHCZQJDBKAA-QGZVFWFLSA-N 436.965 2.371 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 770380794 IBZQFPNEJRMYOG-DVEDPGPFSA-N 437.374 2.270 30 10 IEEE Cc1ccc(C(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1S(=O)(=O)NCC#N 771640205 ASVJYKJWSVFIEW-LJQANCHMSA-N 431.489 2.274 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccc(Cl)cc2F)sc(=Cc2cnn3ccccc23)c1=O 773258231 APTGGFFCKIQCBD-UHFFFAOYSA-N 438.871 2.273 30 10 IEEE N#Cc1cc2c(nc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)CCCC2 775605773 IONYZUGTYDJVKQ-UHFFFAOYSA-N 444.488 2.244 30 10 IEEE CC(C)(C)OC(=O)N1CCC(SCC(=O)NS(=O)(=O)CC2(C#N)CCC2)CC1 778735122 CHLBQYWDCUGKMJ-UHFFFAOYSA-N 431.580 2.259 30 10 IEEE CN(C)C(=O)c1ccccc1NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 782779998 HFEWNOHFMXIGDR-UHFFFAOYSA-N 435.484 2.100 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)n1 789320850 IPYBUCSTRJNPOI-UHFFFAOYSA-N 437.588 2.008 30 10 IEEE COCCn1cc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)cn1 799859553 SVWIMARCEYZVSN-GOSISDBHSA-N 445.520 2.469 30 10 IEEE CCOCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802605825 NCEAQLYFAJUQIA-LJQANCHMSA-N 438.532 2.319 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC1 802763883 KERXSDCABSSDQF-PKOBYXMFSA-N 438.532 2.079 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1C#N 803219092 NLCVPCWHBLCRDR-QGZVFWFLSA-N 426.542 2.273 30 10 IEEE O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H]2C[C@@H]2C(F)F)C1=O)Nc1cnccn1 807937025 VXGAVLZKGQXHDX-URQROHSASA-N 446.483 2.397 30 10 IEEE C#CCN1C(=O)C[C@H](N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)C1=O 821772114 YAWIZDFFSFXSFQ-KRWDZBQOSA-N 439.409 2.055 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n[nH]2)cn1 1084020636 BSUIUZKGGLGYMC-UHFFFAOYSA-N 432.485 2.272 30 10 IEEE N#Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 1124793267 IALYZZPXIPNZAX-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1127858564 GDWRVDCWTWMUKD-QGZVFWFLSA-N 444.598 2.142 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1133282794 CJPUBBDUYDQLCN-OALUTQOASA-N 438.532 2.380 30 10 IEEE CCOC(=O)C1([C@H](C)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCOCC1 1134375545 WCKGMZNWSXRLDK-INIZCTEOSA-N 436.530 2.242 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2nnc3c2CCCC3)c1 1136303649 CFLMQJSVDUETMW-HIXSDJFHSA-N 444.561 2.389 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ccc(O)cc2C1 1167702527 WZNVGBFUQYUMMD-GOSISDBHSA-N 443.525 2.411 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1170891930 MEYIKJZTEQRYCX-QGZVFWFLSA-N 438.488 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCc2ccc3c(c2)OCCCO3)C1 1225937961 NIXRNMJWZVDFRF-SJORKVTESA-N 430.505 2.449 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)CC2)c1 1253450720 DQHBUDMLMQAQPD-HXUWFJFHSA-N 438.532 2.208 30 10 IEEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1264834391 BGNAWXJNADTPDZ-SFHVURJKSA-N 432.484 2.018 30 10 IEEE N#C[C@@]1(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCCOC1 1269385136 IFPQHOILGOYPBP-IBGZPJMESA-N 426.300 2.363 30 10 IEEE C#CC1CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1277113755 HHZOTCWABGFIIW-UHFFFAOYSA-N 426.542 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NC1CCCCC1 1286403376 IYYGNUPONPNYQK-UHFFFAOYSA-N 435.528 2.484 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1occc1C 1286461985 BNWKHMFDHPYWIK-UHFFFAOYSA-N 432.484 2.228 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286539773 CNOAEQPBMPYYPZ-INIZCTEOSA-N 433.354 2.477 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286784855 WDLVIDPPTXUPGU-KRWDZBQOSA-N 444.967 2.059 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)C1 1286809149 GRCLTXNTCSWKKG-NQNGNYMJSA-N 432.546 2.341 30 10 IEEE CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1287770027 YPIWZLGNNTVBRC-MRCUWXFGSA-N 443.596 2.171 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1292268011 NGFGGJZFXGDRCN-HXUWFJFHSA-N 443.544 2.215 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1 1296129860 CBAWHXSTJVXSEY-TZIWHRDSSA-N 429.613 2.328 30 10 IEEE CC[C@H](COCC(F)(F)F)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1298388726 LHOCKCBOAHPPBN-UKRRQHHQSA-N 426.395 2.237 30 10 IEEE CC(C)CNC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1300031652 BQIAXVXLDUGTNH-HNNXBMFYSA-N 428.514 2.250 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)(C)C 1300306922 AHKKHTMKGXKWMM-QGZVFWFLSA-N 438.580 2.072 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(NS(C)(=O)=O)CC1 1300419686 QNIMWSMESYORNF-UHFFFAOYSA-N 440.573 2.213 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300479979 WKZHCNJGLCITRW-QYZOEREBSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300500904 FUEQUOBRGXVKIV-HXUWFJFHSA-N 442.585 2.499 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(O)CCOCC1 1300522891 PBWXNKXMUBLXSJ-UHFFFAOYSA-N 438.528 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCS(=O)(=O)C1 1300523050 VJRQUILVUMNEGN-SFHVURJKSA-N 433.537 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccn(Cc2ccccc2)n1 1300553651 NNTSMOCTUXMWOA-UHFFFAOYSA-N 441.539 2.270 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccn(CC)c1=O 1300650152 YYCIHFMPKCMXND-FQEVSTJZSA-N 448.502 2.238 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(C)COCCO2)CC1 1300708617 WRVBSKOZOFXVAQ-XMMPIXPASA-N 439.560 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccn(-c3ccc(F)cc3)n2)CC1 1300716488 MSLWGSQIHBIISF-UHFFFAOYSA-N 435.507 2.120 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300974906 PJVSCSGJAILLGK-GOSISDBHSA-N 449.533 2.459 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300991028 ZXCFNLCQNYQHBO-SFHVURJKSA-N 434.562 2.415 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(F)CCC2)CC1 1301087247 ZBDGOIICYHUICS-INIZCTEOSA-N 427.546 2.050 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1301524249 BKXLFEXXVXKPPJ-JPYJTQIMSA-N 425.533 2.487 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1302461319 UPMUTPFHTIUZQP-UHFFFAOYSA-N 446.515 2.238 30 10 IEEE C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1303711486 DXNSEOWUENNULC-GOEBONIOSA-N 431.541 2.225 30 10 IEEE C=CCC1(O)CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1303787975 KNTBLOAQSWVBIL-UHFFFAOYSA-N 437.743 2.293 30 10 IEEE C#CCn1ccc(CN(CCOC)Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)n1 1307736778 QRLNTCCJIANQLM-UHFFFAOYSA-N 449.536 2.418 30 10 IEEE CNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C#N)cc1 1315049357 AGXPHIRDFQHRCW-UHFFFAOYSA-N 428.500 2.161 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)C[C@@H]21 1316321632 JOWNKQJGQQINCU-YZGWKJHDSA-N 438.532 2.068 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1316364301 HCQYDWUXEWSLRA-OAHLLOKOSA-N 435.575 2.219 30 10 IEEE CC1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1320203277 QPPGGUJUKUVMQA-MRXNPFEDSA-N 425.938 2.025 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC[C@H]2OC)c1 1358901651 RUFAKABOIGIMTB-WIYYLYMNSA-N 448.527 2.381 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1359014421 IYTTYEZNKJCIOX-QRVBRYPASA-N 446.596 2.229 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)N1CCOCC1 1359051053 KPVREVFGRKIRJM-UHFFFAOYSA-N 439.541 2.353 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)nn1C 1359255901 OGEJCGDHHDYFOI-FQEVSTJZSA-N 430.516 2.384 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1359306002 SOTNVLAHQWPPIZ-KRWDZBQOSA-N 443.552 2.392 30 10 IEEE C[C@@](CO)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 1454713705 XSDQYPMSMQRYRF-SZNDQCEHSA-N 442.859 2.497 30 10 IEEE N#Cc1ccc(NCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc1 1464043843 TZRRLEMWEKSFHX-UHFFFAOYSA-N 425.290 2.252 30 10 IEEE CC1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1C1CCN(Cc2ccccc2)CC1 1468238761 AHBAMQVFZXDIDR-JOCHJYFZSA-N 449.555 2.360 30 10 IEEE CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1468344951 OHDPLJFLAIULBF-NRFANRHFSA-N 437.544 2.012 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C(=O)OC)C2CCCCC2)s1 1470943864 VWINVFRKTXPIGB-MRXNPFEDSA-N 428.576 2.241 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCN/C(O)=C1/N=CC=CC1=O 1492575766 YLONSOGICQHSLV-NFFVOIMASA-N 433.516 2.442 30 10 IEEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(OCCCN(C)C)cc1 1499165369 VXVLLZYSBDYDBJ-NRFANRHFSA-N 437.592 2.396 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(CC)CC 1507528924 PGONQJIGQORGAD-SJORKVTESA-N 431.610 2.426 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507635295 RKWSFUMJPZDSEX-LJQANCHMSA-N 441.582 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C1CC1 1507659174 XZRJYONGLGHVFH-UHFFFAOYSA-N 432.528 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nnc(C)s1 1507660849 FETLPUKQFCFQPU-NRFANRHFSA-N 428.562 2.184 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1507915086 STFFNZRRQMIZEG-MSOLQXFVSA-N 427.553 2.242 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NC2CCCCC2)CCOC1 1509810868 ZRKAGHHDNNCVHG-VXKWHMMOSA-N 448.543 2.210 30 10 IEEE C#CC[C@]1(C(=O)OCc2c(Br)nnn2C)CCCN1C(=O)OC(C)(C)C 1527262877 SJWQLYVLWCBNOK-QGZVFWFLSA-N 427.299 2.414 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 1530831556 SJEXHXXIXDAAIU-UHFFFAOYSA-N 426.454 2.390 30 10 IEEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1533635915 XXGRMYKYVDJKCM-SFHVURJKSA-N 433.574 2.039 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-n3nccn3)CC2)cc1 1534743677 MDWTUTRVOBJTNI-UHFFFAOYSA-N 436.497 2.178 30 10 IEEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1536664924 OSRWHMBIMJPLBH-XXBNENTESA-N 436.443 2.064 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1538974581 UEJDJJDVQCBROC-VXGBXAGGSA-N 429.468 2.006 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)CC)C1 1539132333 IPHWSFYEWUVDHA-INIZCTEOSA-N 428.562 2.178 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(Cn2ccnc2)c1 1539408922 IDZHGEZSEUKQCC-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1 1539459378 FUYOHOGAGWXXNC-OAQYLSRUSA-N 434.544 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1539626226 BVOHMBPSUXSTGL-QUCCMNQESA-N 427.553 2.012 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539821455 ORZDUPJLGORQOV-UHFFFAOYSA-N 448.886 2.269 30 10 IEEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539962810 DFUSIWXEMBXBCT-IBGZPJMESA-N 444.580 2.147 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540019464 AREXZFJPQAJGEP-LJQANCHMSA-N 449.353 2.487 30 10 IEEE NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 1540569460 QCSWIGLLFKWDPN-JOCHJYFZSA-N 444.466 2.162 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1541105518 KDXRKUYBWJWIFM-HUUCEWRRSA-N 440.483 2.364 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 1542531570 BFHYMHYSRQRKBA-SVFBPWRDSA-N 440.544 2.372 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1546604670 RFIHOIBGZDGIFE-OGWMBBJDSA-N 435.532 2.415 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 1557498427 NKVDJPCCUWHRCK-SFHVURJKSA-N 447.557 2.260 30 10 IEEE C#CCN(Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1560681259 GXQLBSAAGHHNJX-GOSISDBHSA-N 433.555 2.459 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2c3ccccc3C(=O)N2C)cc1 1562197128 DNWLHNZTLWBZSR-IBGZPJMESA-N 428.514 2.442 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)CC2=O)cc1Cl 1565827402 GERQHZOSKHESMM-NSHDSACASA-N 438.797 2.217 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3COCc4ccccc43)CC2)cc1 1584178422 FGZQRFUUMCORAV-OAQYLSRUSA-N 425.510 2.347 30 10 IEEE CN1C[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)N(C(=O)OC(C)(C)C)CC1=O 1587170549 IQVJOZQFVARDKT-AWEZNQCLSA-N 437.294 2.337 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 1587652490 ZPLHHTQIXSNGLY-IBGZPJMESA-N 434.592 2.001 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1588237582 DBCTWOADHSSLLG-UHFFFAOYSA-N 439.947 2.234 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588780165 IVFWJDVGXOZGKJ-GOSISDBHSA-N 426.952 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 1588800317 DGXXDQAHHVODBD-UHFFFAOYSA-N 447.587 2.354 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1588800573 KQUCQDWEUKNQPI-UHFFFAOYSA-N 447.591 2.154 30 10 IEEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1589125931 SBCNYCQRIKFUIB-KRWDZBQOSA-N 442.614 2.459 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1593818025 NBHPVIWLRPCGMO-KRWDZBQOSA-N 440.976 2.483 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CC1 1595064999 GEHDJEYRGPWPDW-QZTJIDSGSA-N 430.597 2.443 30 10 IEEE C[C@@H]1CN(c2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cn2)C[C@@H](C)O1 1611648653 DQALAVDUYGQUHD-HZPDHXFCSA-N 438.484 2.213 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccnc1OCC(F)F 1613987687 XALQTRLIJJTZHW-UHFFFAOYSA-N 441.442 2.463 30 10 IEEE CN1C(=O)C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(F)(F)F)CC[C@H]21 1618371787 QCMDJWQQESFGAN-GOEBONIOSA-N 434.422 2.348 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1619988970 AIWVTZYMHXCPAM-SQBLYHGDSA-N 437.516 2.172 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@](C)(C(F)F)O1 1620435701 FFLYEJXQZWTBLG-SZNDQCEHSA-N 449.458 2.199 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)CCOCC1 1622582254 NFHJGIIUQYPNLM-UHFFFAOYSA-N 434.283 2.226 30 10 IEEE CCN1CCN(C[C@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1627134788 JWSIGSIUJOFDMA-ALJXEXJNSA-N 447.624 2.163 30 10 IEEE CC#CC[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1628508475 RRFVBNDMEQFHGC-ZWKOTPCHSA-N 432.521 2.246 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1629309800 AITFJMAVCSTWRV-MRXNPFEDSA-N 431.493 2.010 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccccc3S(=O)(=O)C(F)F)C2=O)cc1 1635701015 HYSVWCLSHKBLPU-KRWDZBQOSA-N 447.463 2.014 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)[C@H]1CCCc2ccccc21 1635883961 GCZHVJZFPAADAK-VGSWGCGISA-N 426.538 2.499 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636141298 AUQNAICFTFHRHH-WZONZLPQSA-N 444.532 2.218 30 10 IEEE COc1cc(OC)cc(N2C[C@H](C(=O)Nc3ccccc3-n3ncc(C#N)c3N)CC2=O)c1 1636172667 GYOOPJKQUMBRGL-CQSZACIVSA-N 446.467 2.335 30 10 IEEE N#Cc1cc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ncc1Br 1639211224 XEBADDQJYSMFOT-UHFFFAOYSA-N 431.319 2.107 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](CO)CC3CCOCC3)C2)C1 1639748203 ILKPEJJOSCCRDB-QTSFNNJRSA-N 435.565 2.315 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C#C)c2ccc(Br)cc2)cc1 1641517310 GEJBNFWIDYHSHT-GOSISDBHSA-N 431.311 2.465 30 10 IEEE N#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(F)(F)F 1645009951 LAARLNJGKVXBGA-SMDDNHRTSA-N 439.843 2.372 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 1648413645 FWHUTQXANICYRL-JTSKRJEESA-N 447.557 2.118 30 10 IEEE C[C@@H]1CN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1649562451 HQVVCAAELAICCY-LMMKCTJWSA-N 430.578 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 1653440041 BOVGXOUUPSCWFQ-IBGZPJMESA-N 434.562 2.066 30 10 IEEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@H]2c2ccc(I)cc2)CCC1 1654986771 QTKYTRJGVLDDJW-JKSUJKDBSA-N 439.297 2.209 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1681301840 SDULTMXWTOZOFO-VQTJNVASSA-N 426.517 2.329 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)C[C@@H]1C2 1684641710 PEDQVVGTGJSSMU-OXDBHQQFSA-N 440.479 2.039 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)O1 1686181697 SSNJKPKIRXJXIF-VKNHOLBOSA-N 444.532 2.248 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1689845978 DZLKNOZSACUBGB-AVRDEDQJSA-N 433.560 2.142 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689996176 DPDWQIYIIWZWLB-RTBURBONSA-N 428.558 2.171 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690331130 QVJXBQZTYKIVQR-QZTJIDSGSA-N 438.960 2.473 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1690428189 HNKRQYLZWOAXQT-UHFFFAOYSA-N 429.525 2.070 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690439709 MWXSGZLFJBWKHV-FQEVSTJZSA-N 426.583 2.156 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1692663027 KBPBVLGUTUGPEA-CVEARBPZSA-N 434.541 2.240 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1693217814 CPYSRKPNVOLGCX-DYESRHJHSA-N 447.536 2.432 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN(C)C(C)C 1694790247 CJPDJADIYWXKEY-FQEVSTJZSA-N 439.564 2.174 30 10 IEEE CN(CC1CCCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696746787 HFXONOIFTQNAHF-RWNPKEDZSA-N 428.537 2.325 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697778474 ZVHWTWIXNUEWBC-KRWDZBQOSA-N 425.468 2.424 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1698491476 CUHPZZIFKNAUDC-HOTGVXAUSA-N 439.486 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C 1705482109 STMHLJFPUQUWIY-INIZCTEOSA-N 433.578 2.468 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCc1nnc2n1CCCCC2 1705556576 DRWYXXZPWPYQID-UHFFFAOYSA-N 435.532 2.496 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1705566575 OHGPXTIUMMWGJJ-DLBZAZTESA-N 440.635 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)COC 1705574651 JKMIHEPYTVQKAY-UHFFFAOYSA-N 442.589 2.292 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccccc2)C1 1705652139 QUXGWWUJTKCZOT-IEBWSBKVSA-N 447.630 2.324 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705662864 NYUABKTVKYXHFS-YWZLYKJASA-N 433.603 2.384 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705719716 IRSYMZDJTAMRLZ-OAQYLSRUSA-N 434.562 2.118 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705736547 WGPVTIGHMZMUTN-GHTZIAJQSA-N 430.597 2.127 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1705844105 WCQDHFCLJUGEHH-PMACEKPBSA-N 429.590 2.467 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1705894879 NKIAOEMPVUPJNI-AEFFLSMTSA-N 428.581 2.227 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1706825368 FUHCNJVKHZHEOE-RDJZCZTQSA-N 427.509 2.230 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCCO1 1707951741 NOORIOZMFZBKLZ-YLJYHZDGSA-N 438.532 2.069 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1709841033 GGBPTVSTWQQHGA-OAQYLSRUSA-N 444.561 2.005 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1ccc(C#N)o1 1712545869 DGPBTFVHYIMZHF-IAGOWNOFSA-N 444.536 2.256 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1722289608 GKFVTVKCUFNDFJ-ZWKOTPCHSA-N 443.552 2.250 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1722294645 QESKVWSJMCQXDT-YGKZAACZSA-N 444.580 2.329 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722335653 GDOKKNOXAIHJIX-LJQANCHMSA-N 436.516 2.101 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)CC 1722347022 DOPSPWCXZWBTLG-UHFFFAOYSA-N 441.351 2.220 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccnc(N2CCCCC2)c1 1722425226 RHNJGCYBAYZTKA-UHFFFAOYSA-N 432.532 2.255 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)c(C)c2)CC1 1722447603 KSIRQEZGJXLULM-LJQANCHMSA-N 425.508 2.244 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1722500528 CEMFTCCOKURWIO-XMSQKQJNSA-N 425.533 2.391 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722555865 MRYXFIZZSFEVIM-HOTGVXAUSA-N 444.001 2.065 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722624531 DYMCHFXCMLFSKW-HXUWFJFHSA-N 426.565 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722727579 PHMSZHQGKPCZPY-KURKYZTESA-N 425.599 2.039 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](COc2ccccc2)C1 1722729196 XXMGKFOBZJQPDG-OALUTQOASA-N 446.573 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2ccccc2F)C1 1722731117 DVJABBIVGJMHJA-GOSISDBHSA-N 438.525 2.132 30 10 IEEE CC(C)N(CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1723540394 RKBJELMZRCHJFW-CTNGQTDRSA-N 429.613 2.467 30 10 IEEE C[C@]1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1724039548 HRPQFXMYYHLKMF-LIRRHRJNSA-N 448.321 2.242 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1C 1724437856 HUKZJZZZRIZTSH-UXHICEINSA-N 427.505 2.008 30 10 IEEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC(C)(C)C2)C1 1729597788 GDBDKOXHXGUGFG-QFIPXVFZSA-N 442.589 2.127 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)CN(C)C1=O 1730761682 DNXAHZYFBICNCQ-OAQYLSRUSA-N 446.939 2.452 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCCO3)n2CCCCCO)CC1 1731185102 QHWRDYNNZUPBRL-LJQANCHMSA-N 425.537 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1740540170 UBXDATGQBWYXHE-HNNXBMFYSA-N 438.513 2.166 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740594867 YPPJZCDKZRXYSR-XMMPIXPASA-N 434.544 2.291 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCCC1(C)C 1740602396 LFDYAVRUPDDRPS-QFIPXVFZSA-N 445.589 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740701583 MJSOTSACLUZKSM-QMHKHESXSA-N 425.533 2.363 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21 1740708883 DNNNIAVCBZKNHB-YJBOKZPZSA-N 433.603 2.378 30 10 IEEE C=C(Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1740798248 CZTYGGMJBFRRJL-UHFFFAOYSA-N 436.560 2.432 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740849756 WHHSISGBOUCADI-UHFFFAOYSA-N 437.592 2.267 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC2(C)C)C1 1740972036 CAXJPPRCYIJKPX-YESZJQIVSA-N 425.599 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1740986088 RTWNONJSWIRXOZ-KRWDZBQOSA-N 449.552 2.150 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740991024 MJAMUDJXYSIAPF-UTKZUKDTSA-N 438.594 2.311 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1741001227 OHYMRDDBYPXURS-WMZOPIPTSA-N 435.594 2.170 30 10 IEEE CC(C)CCOCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741531951 IYAVRQQNGBBURW-UHFFFAOYSA-N 441.536 2.014 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747784632 OGOOHPOHELXIFQ-IGGDJGDASA-N 442.545 2.396 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1747863015 LTSAYDUQMDEABJ-AYAKEVCGSA-N 440.479 2.083 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747878516 CKLGXZCNBQNAJY-BMRADRMJSA-N 435.410 2.255 30 10 IEEE CO[C@@]1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)CCOC1 1748497556 QGVONYMIJRGZMS-AUUYWEPGSA-N 448.321 2.242 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCO[C@H](C)C1 1748772825 YZDHDZCRXWAKCF-NVXWUHKLSA-N 430.578 2.431 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1748816389 ZNPPAEKCQBOZSP-OXJNMPFZSA-N 428.558 2.274 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749026667 GWAOCRDVSGGOSX-NRFANRHFSA-N 436.585 2.484 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccccc2)CC1 1749034314 ZNOCSSBUCQGXDE-FQEVSTJZSA-N 438.601 2.308 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749269842 XRXVFDYSJSBOOS-HOTGVXAUSA-N 431.990 2.032 30 10 IEEE C=CCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1749439565 CIDPSZLRXUIYNB-BEFAXECRSA-N 445.486 2.401 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)CCOC)C1 1749704123 WINDQBIABIKUMN-MBSDFSHPSA-N 444.532 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1749708888 MRFSMUXTQWVFOR-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749721566 NXDPUNJOCQYKQP-KRWDZBQOSA-N 437.610 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOC[C@@H](C2CCC2)C1 1749729092 AMWVWZIUGCHNBJ-SFHVURJKSA-N 433.578 2.137 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cccc(F)c2F)CC1 1749734074 DWYIWMXLFMUZIA-UHFFFAOYSA-N 425.505 2.046 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1CCCO 1750061844 ADWAKAPQGOKPGE-QFBILLFUSA-N 427.509 2.296 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1750451368 GRKHJMUPWPDLCK-LEWJYISDSA-N 438.576 2.309 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1751821111 CKQUDQAFAVBEQY-UHFFFAOYSA-N 432.532 2.307 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760140211 FYNWMYWDJCPZSA-UHFFFAOYSA-N 444.605 2.318 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C)C(C)(C)C1 1760166139 RYEKTZALCQFSBG-UHFFFAOYSA-N 432.576 2.431 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760182980 LCXTYGCNFCGIHO-YJBOKZPZSA-N 429.571 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H](C)CN1CCN(CC)CC1 1760199621 BWHLYTXWCHYFMQ-NRFANRHFSA-N 434.588 2.300 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760237510 LRDRNBGSERWSGQ-ROUUACIJSA-N 444.605 2.228 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1760334503 CKLNOLGVLPKGQQ-UHFFFAOYSA-N 438.532 2.136 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)(F)F)CC1 1760404462 BGAYNBWWQBMRJV-UHFFFAOYSA-N 425.459 2.221 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1)C1CC1 1760474001 KQQDMPXGVGIJFQ-BTYIYWSLSA-N 434.537 2.382 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2ccnc21 1760500660 SDUZLHSYNBPCSO-KRWDZBQOSA-N 436.520 2.338 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CCCO1 1760690740 FQGWKNAPQZIINM-FOIQADDNSA-N 431.566 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)CC1 1760776062 QVMXCLAFUCQOGT-SFHVURJKSA-N 448.568 2.284 30 10 IEEE CC1CCN([C@H](C)Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1762949401 LGGYCPNUTRBOIG-ZRCGQRJVSA-N 446.596 2.168 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C(C)C)C(C)C 1766335458 BSMSXDZGFMIXTG-UHFFFAOYSA-N 427.553 2.468 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1767167298 FALOMUNHYJTCGJ-MRXNPFEDSA-N 427.896 2.255 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCCC1 1767864266 OZVDKDIYALOKJF-UHFFFAOYSA-N 425.537 2.224 30 10 IEEE COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1768596623 DTNBUMOUSBLKKO-NRFANRHFSA-N 430.484 2.118 30 10 IEEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1770071645 AACNNKCIMOXNAY-OAQYLSRUSA-N 443.552 2.021 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCO1 1770961607 WCVVHOYHZCHGSZ-NSISKUIASA-N 427.505 2.005 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3cccnc3)n1CCOCC(F)F)C2 1771531812 DGHUJLMBSWYPOE-UHFFFAOYSA-N 441.442 2.081 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1772566937 NSKMTGICDMOTKZ-BBWFWOEESA-N 448.568 2.171 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)OC(C)(C)C1 1772660055 AAHKPBFBXAJUGJ-OAHLLOKOSA-N 448.545 2.278 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)ON1C(=O)c2ccccc2C1=O 1772791690 CQDQSLVIQJQUHL-SNVBAGLBSA-N 442.371 2.127 30 10 IEEE CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccnc(C#N)c4)CC3)nn2)cc1 1850683914 NWGJJIZRTTUIAA-UHFFFAOYSA-N 429.484 2.131 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)[C@H]1COc2ccccc2O1 1851220410 OXKWTRGZHXGGTJ-MRXNPFEDSA-N 434.905 2.173 30 10 IEEE CN(C)C=NC(=S)N(C(=O)CN1CCCC1=O)c1ccc(Br)cc1F 1851235723 LYPONKOYOISHLC-UHFFFAOYSA-N 429.315 2.418 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@H]2CCCN2c2ccccn2)cc1 1851514716 TVCPEZDCYGIXCO-FCHUYYIVSA-N 436.512 2.245 30 10 IEEE Cc1[nH]nc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1Br 1851999394 HRLADGOWSFWSRI-MRXNPFEDSA-N 449.305 2.289 30 10 IEEE Cc1cccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)c1 1852913463 RBWSBTQQQZDGAL-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cnc(-c4ccccn4)nc3C(F)(F)F)CC2)n1 1853167032 DMFXPWLRAAUWNR-UHFFFAOYSA-N 440.389 2.181 30 10 IEEE N#CCC(=O)N(CCn1nnc2ccc(F)cc2c1=O)[C@H]1CCCN(Cc2ccccc2)C1 1853417140 SWNZBRIRFZSPLQ-FQEVSTJZSA-N 448.502 2.337 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cn(C)nc1C 1854518265 XWLGCEUVQWBMCJ-UHFFFAOYSA-N 428.514 2.211 30 10 IEEE COc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCCC3)cc1C 1857369639 ZICVHBXAVQDMMH-UHFFFAOYSA-N 433.530 2.288 30 10 IEEE O=C(/C=C/c1ccc[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1860730257 FETHLYYZFWIUDF-VMPITWQZSA-N 431.861 2.480 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(O)c1 1862748188 ZYXKWNAZTYCDEO-GOSISDBHSA-N 425.397 2.015 30 10 IEEE Cc1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866869255 ZBOXEYYEMDXYJD-RBUKOAKNSA-N 426.542 2.449 30 10 IEEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869930259 VUKOBDCKNYBIBN-OXJNMPFZSA-N 429.542 2.161 30 10 IEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)Cc1cccs1 1870108110 PRLPDUBKEBDEMP-UHFFFAOYSA-N 426.414 2.215 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)cc1 1874337825 OIWKSFTYOWCNSD-SBUZPKSBSA-N 431.518 2.158 30 10 IEEE C[C@H](C(=O)N1CC(COc2cccnc2C#N)C1)n1nc(-c2ccc(F)cc2)ccc1=O 1891307592 QMKSHUVYUUFTGV-OAHLLOKOSA-N 433.443 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCCO1 1969642184 MBVKUAJQCRFLJQ-AQNXPRMDSA-N 428.533 2.295 30 10 IEEE C[C@@H]1[C@H](n2cnc(I)c2I)CC[C@]1(N)C#N 1984378911 CERGTJVIAVRCFL-XSSZXYGBSA-N 442.042 2.284 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993453477 VJYWIVPHEBNYLH-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2010151311 PDWBHPOVQKQRCS-YESZJQIVSA-N 439.553 2.027 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c1 2174558626 CAHVCQSMZLDLGL-GIVPXCGWSA-N 425.510 2.331 30 10 IEEE COC[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248576605 GKRMAKCAOZHJCM-AWEZNQCLSA-N 426.294 2.438 30 10 IEEE CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255627272 QIVXNWQKQHACDF-NRFANRHFSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255627936 AOYJNUNYGXCFOK-UHFFFAOYSA-N 432.330 2.006 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255629444 VTGKRNZGDYILMZ-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631773 DOROKYIZIZJNEA-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255659935 ZQMUETNZTCWJBU-NHAGDIPZSA-N 449.382 2.380 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255875220 UOVDGMLDZNLNGZ-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)CC1 2267107520 PATFGICTYIOWMN-UHFFFAOYSA-N 447.385 2.165 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267129954 IGNXBMQRAOBDIM-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)n1 2267154741 KSFGHMJONOYKDS-LSDHHAIUSA-N 448.373 2.330 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267177737 SAKNMUWKZDLPIB-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2267183533 NWFQUVFTWANXHQ-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267274129 VYYLEJDQKWOCSG-UHFFFAOYSA-N 443.353 2.464 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267477066 GYFNHTBFFBYCHF-STQMWFEESA-N 441.259 2.052 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(Cc2ccccc2)C1 2267546721 AQTSPXRXYHBBCV-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE Cc1nc(NC(=O)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ncc1B1OC(C)(C)C(C)(C)O1 2268651124 UKZATUJSIBTTGI-KBPBESRZSA-N 444.341 2.136 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@@H]2C1 2269008250 UGFBTJGWJKEEJM-SJORKVTESA-N 449.332 2.344 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)OC1(C)C 2283066999 DFTDBHAJACXWNJ-KBMIEXCESA-N 448.376 2.370 30 10 IEEE Cc1cccc(C)c1N=C(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]c1=O)c1ccccc1 2297640436 FQEOMWHMJLECLM-UHFFFAOYSA-N 429.480 2.301 30 10 IEEE Cc1ccccc1OCCCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c(O)c1 2327081502 SDOVVQBOXRBLGF-UHFFFAOYSA-N 441.513 2.469 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H](C)N1C(=O)OC(C)(C)C 2337200293 GJGWZVUDNOFYMH-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE COc1nc(N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339785591 YPOZLIYTSXKEDF-QWHCGFSZSA-N 443.275 2.425 30 10 IEEE COc1nc(N2CCOC[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786875 SLFDGVFIFNVUDY-OAHLLOKOSA-N 449.357 2.119 30 10 IEEE CC(=O)Nc1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 96350195 ZLFOIUZRKSXTJO-UHFFFAOYSA-N 425.510 2.211 30 10 IEEE Cc1cc(N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)n2ncnc2n1 429661206 PGZWAFRVBDIQQD-UHFFFAOYSA-N 441.499 2.172 30 10 IEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1)[C@H]1CCOC1 461092538 WRYKPOQBIMMWTC-ICSRJNTNSA-N 427.505 2.149 30 10 IEEE CCOC(=O)[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 461191664 HVHRQOXUHWFRSR-WOJBJXKFSA-N 448.479 2.226 30 10 IEEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)cc1 474592117 DEUFWLDHGZNQAK-UHFFFAOYSA-N 449.511 2.359 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)NCCc3c(C)nn(C)c3C)c(C#N)c2N)cc1 477929741 YJZCNDPJTJXFTB-UHFFFAOYSA-N 434.548 2.459 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 479887436 HWJJFTZHEBDEPD-KRWDZBQOSA-N 426.542 2.137 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1S(=O)(=O)NCC#N 482470325 LPNXRRLVCZGWCG-QFIPXVFZSA-N 425.510 2.459 30 10 IEEE N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502030407 GUWUFWNBCZHJNX-DLBZAZTESA-N 444.944 2.089 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)NC1CCCCC1 506930510 VXSQXMZHRFBESZ-SFHVURJKSA-N 446.529 2.199 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CCO2)c1 512255206 XJEFZSKPPPWZDB-IFMALSPDSA-N 434.496 2.321 30 10 IEEE COC(=O)c1ccc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@H](C)C2)cc1 513789038 BKUZZVGDVPHBTC-QGZVFWFLSA-N 427.526 2.329 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 525831120 FTQQLALIXSOLME-CQSZACIVSA-N 439.287 2.304 30 10 IEEE C[C@H]1CN(Cc2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)C[C@@H](C)O1 573851680 UOSJVRKHPKLVFW-CALCHBBNSA-N 442.541 2.084 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NC3CCCCC3)cc21 586313371 JQCUQOFSDOGXMC-INCQDFKNSA-N 432.542 2.367 30 10 IEEE N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN(c2ccccc2S(N)(=O)=O)CC1 588027699 GTDYIYQPCOHVQA-UHFFFAOYSA-N 447.442 2.498 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@@H](C)O1 609229871 WRWRSDRJDPZQOD-HUUCEWRRSA-N 431.489 2.425 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CCO1 609269265 OEFRVFYTECAICX-HNNXBMFYSA-N 437.880 2.322 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 726180231 YJIXNMITQHKOSP-KRWDZBQOSA-N 442.585 2.159 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccc(C#N)cc2F)C1=O 729818132 HMDXOPAHFHXMEH-ZMRQUTOFSA-N 425.489 2.271 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(C#N)cc1 740191885 CKTKGXMFBMVWHI-YKSBVNFPSA-N 449.463 2.259 30 10 IEEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)n1 746771214 BNIQLJWLDVZSFL-HNNXBMFYSA-N 428.493 2.075 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](O)C(=O)O 757279933 XZXZTYSDGKATFO-RTWAWAEBSA-N 438.480 2.422 30 10 IEEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)[C@@H]1CCS(=O)(=O)C1 774216187 IMFZQXTXGDHWLX-OXJNMPFZSA-N 440.525 2.227 30 10 IEEE COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1C#N 780822510 UYAVSEYPMPKZMX-UHFFFAOYSA-N 434.417 2.339 30 10 IEEE CC(C)N1CCN(c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2)CC1 781445495 YXSNSQRIFAFMFO-UHFFFAOYSA-N 426.542 2.348 30 10 IEEE CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 786150862 KZCYJTCMXXGYBX-HTXNQAPBSA-N 432.908 2.259 30 10 IEEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 790541665 GGLIUVVKCZPFOR-JOCHJYFZSA-N 430.505 2.186 30 10 IEEE CN(Cc1cn(-c2cccc(Br)c2)nn1)c1ccc(S(N)(=O)=O)cc1C#N 795298755 LXXVJBZCQILTFM-UHFFFAOYSA-N 447.318 2.185 30 10 IEEE CCCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)CC(=O)Nc1ccccc1 800706448 DGEIQYQFKIASKN-BZROSYFNSA-N 427.505 2.352 30 10 IEEE C#CCN(C)c1nnc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1C[C@@H]1CCCO1 802690614 AZWAPKWHTMWUDZ-NRFANRHFSA-N 442.995 2.498 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812291481 BSNFWWYFPSBODF-IAGOWNOFSA-N 439.541 2.232 30 10 IEEE Cc1noc(COc2ccc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cn2)n1 1127911237 AKGJPQWMYVANCQ-SFHVURJKSA-N 432.440 2.149 30 10 IEEE C[C@@H](Sc1nc(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cs1)C(N)=O 1131370375 MBJAKQPEXSNJJW-CYBMUJFWSA-N 430.555 2.345 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1136025189 ZRGOBIPVKBJJAR-UHFFFAOYSA-N 426.477 2.238 30 10 IEEE CC(=O)N[C@H](CCC(C)C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141567993 YZLQGDRCECLFQC-HXUWFJFHSA-N 428.512 2.455 30 10 IEEE COc1ccc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cc1OCC(N)=O 1141734128 IKVAIZRIXIBOML-UHFFFAOYSA-N 440.305 2.419 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)C2=O)cc1 1143719648 CQIFFBNMNVUKKU-BWKNWUBXSA-N 445.523 2.371 30 10 IEEE C=C(C)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1 1154676817 ZIVJGIIKFKLKIM-GHTZIAJQSA-N 433.430 2.440 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CNS(=O)(=O)c1ccc(Br)s1 1157477107 HKQFNIZXKSIMTC-UHFFFAOYSA-N 434.362 2.381 30 10 IEEE Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1179422668 KHKPVMKDQIBTLQ-UHFFFAOYSA-N 428.514 2.307 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)C2)nc1 1228011788 VQZUZSMDZJHDOF-QGZVFWFLSA-N 432.484 2.225 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286299167 BETSXSQFTGQCLO-HKUYNNGSSA-N 431.548 2.223 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1286393896 LMPFINDSRPNTPG-KRWDZBQOSA-N 445.545 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCOCC1 1286424293 UMCZGKWSNUCYRR-LJQANCHMSA-N 435.528 2.105 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1286437830 NGMORTSMCKSESL-NRFANRHFSA-N 448.614 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC2(C)C)CC1 1286485656 SVZUORXEVOAWOA-SFHVURJKSA-N 428.581 2.208 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCOC1 1286567846 WXEWYNYUTWQWJN-FCEWJHQRSA-N 431.562 2.476 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1286653943 BKEJMXKSEOSVPY-HSZRJFAPSA-N 427.549 2.431 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C)C1)C(C)C 1286750466 AZCGDNOREWOIDW-UXHICEINSA-N 430.597 2.438 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)C1 1286807895 SSWGKYHUMGWBEU-HSALFYBXSA-N 428.533 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H](C)C1 1286814346 QBVWAEXQIWCFRY-HZPDHXFCSA-N 432.550 2.009 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2cn(C3COC3)nn2)cc1C 1289775960 UOWKYWMZOKSNGQ-HNNXBMFYSA-N 436.520 2.281 30 10 IEEE CCCN1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1294676835 FNIXEPZIOZDDMG-UHFFFAOYSA-N 434.552 2.204 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(COC)CC1 1295968192 AUNCYAKCOOAIEI-UHFFFAOYSA-N 436.520 2.251 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1)[C@H]1CCOC1 1298189634 XUVBICRCIVVPIZ-SFHVURJKSA-N 428.562 2.003 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300317207 MEXKNQSPRRGTGF-ICSRJNTNSA-N 429.590 2.193 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1C 1300391521 PRHAHVISZFVQFG-UHFFFAOYSA-N 426.546 2.440 30 10 IEEE C#CCCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300424781 LNFLUZGSYZIBBH-HSZRJFAPSA-N 429.565 2.181 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCn1cc(Br)cn1 1300663668 CRZYOEPLCDVIBT-UHFFFAOYSA-N 430.310 2.085 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1300770534 UOWSRJCYXBVMJC-MCPYQZEQSA-N 445.614 2.233 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301251774 IANPFKQHVATHAB-HOTGVXAUSA-N 432.550 2.165 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC)C1CC1 1301317729 ZXVIIZDPFFNZCE-UHFFFAOYSA-N 431.562 2.276 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1301367607 RDEOBGAOKNBWAQ-QUCCMNQESA-N 438.580 2.101 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1301383382 HGHZJVQNILIOIN-QHCPKHFHSA-N 436.516 2.005 30 10 IEEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301611070 FHGURIAHARTYRB-UHFFFAOYSA-N 436.626 2.360 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301618420 RUOMPIFEESSMQM-UHFFFAOYSA-N 427.640 2.448 30 10 IEEE CCOC(=O)[C@@]1(F)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC12CCC2 1307924002 FOPXBLROKVLQIY-JTSKRJEESA-N 448.564 2.214 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)n(-c2ccc(F)cc2)c1C 1308138693 WWRXUORRHGWIMK-KSFYIVLOSA-N 444.532 2.410 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c(=O)nc1O 1312307622 CHNUPWNGKATQHF-HOCLYGCPSA-N 435.406 2.475 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 1314641606 DEDKUNMMDGESFY-UHFFFAOYSA-N 445.321 2.306 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1316233047 GVLSTESCAGURCI-OFNKIYASSA-N 441.532 2.254 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1358905172 UFLCHVYTUVEIAU-GCJKJVERSA-N 445.589 2.098 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccc(OC)c1)N(C)C 1358940179 QCPCOAMRTIQEIF-OFNKIYASSA-N 427.549 2.311 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1358960252 AGEXRIFDPNCIOE-KRWDZBQOSA-N 427.505 2.396 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358965454 VLHIOTJEBRTDQL-GOSISDBHSA-N 448.564 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F 1358992355 JKLDVOKQKMYBNE-MRXNPFEDSA-N 446.433 2.077 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(COC)CCOCC2)CC1 1359032134 CLYOAYLPYYLADT-UHFFFAOYSA-N 444.967 2.192 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1359036055 LQVHDWPXLJAGQM-HXUWFJFHSA-N 439.560 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1359044949 SBEKEIHGIOUHQN-SVFBPWRDSA-N 443.592 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 1359313905 SVSGOZLLTXIWEH-NVXWUHKLSA-N 437.541 2.165 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(Cl)c1 1360680448 BWUDAEHIHYLYAV-PXAZEXFGSA-N 426.905 2.032 30 10 IEEE Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)ncc1C(N)=O 1443664067 HREYRZTTYJNVRF-SFHVURJKSA-N 442.317 2.274 30 10 IEEE N#C[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1cccc(Br)c1 1446187058 LOWMGAUHZOSUBZ-OAHLLOKOSA-N 441.282 2.029 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 1451647135 BEZGKZCZHZJXAH-UHFFFAOYSA-N 428.470 2.200 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1462002499 WWHBGLRKASJSIF-UXHICEINSA-N 445.564 2.376 30 10 IEEE CCOC(=O)[C@](C)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(C)C 1472004795 RPWXPSRVKNGADF-MBSDFSHPSA-N 442.516 2.495 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1473637409 GKRJYPDKSQNRRT-DENIHFKCSA-N 447.601 2.447 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1505073736 OKOUOYHGKDGRFW-IPJJNNNSSA-N 446.596 2.243 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCSCCCO)cc1 1505316389 IEBRMKPVCFRZTP-VQTJNVASSA-N 443.573 2.317 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1507820763 MHLPQPKWQPJMQY-IBGZPJMESA-N 445.589 2.381 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507951100 NWHSSOASJDPDGK-UHFFFAOYSA-N 438.623 2.460 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507957343 GMQIXVGVLAZBNX-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1507967101 BJIBJRNSBUIMCF-OAHLLOKOSA-N 435.598 2.231 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1508088964 HSTWFQIGXKDUNV-OTWHNJEPSA-N 446.596 2.343 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)N(C)C)C1 1508117173 QKTNVYYAOHATKT-KRWDZBQOSA-N 429.521 2.222 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)C1 1508122056 HPNWYQQUNINDBI-BRWVUGGUSA-N 430.578 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1508133449 JJGPUFBMAZHTGO-ROUUACIJSA-N 446.529 2.222 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CCO1 1508374591 GYSQBJKZABPKQZ-RTBURBONSA-N 426.546 2.054 30 10 IEEE CC(C)(C)OCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508688976 LCUKLFGBBFRVDT-GOSISDBHSA-N 425.537 2.190 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)F)C1 1516847889 RLUYZDZPVGKXRV-MRXNPFEDSA-N 438.504 2.238 30 10 IEEE COCCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1519017791 ABAYOMQKIKRYLM-JOCHJYFZSA-N 439.495 2.451 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C1 1521063175 OFYLPLDAINRNAM-OAQYLSRUSA-N 426.427 2.359 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2ccc(C#N)cc2F)c1 1525617324 MMGIFDMGYUDDLF-UHFFFAOYSA-N 440.294 2.477 30 10 IEEE C#C[C@H]1COCCN1C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1528153305 FOGVEDJRCQUHQP-IBGZPJMESA-N 432.929 2.392 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)C1=O 1534379621 JVAXNZJIHMAOHL-LJQANCHMSA-N 440.544 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCNC(=O)c2occc2C)CC1 1539441508 REPRUECVJTZGKW-UHFFFAOYSA-N 432.528 2.422 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1539527011 YYHQFCNIOOQXNY-KRWDZBQOSA-N 425.514 2.094 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nnc(C)s2)CC1 1539890199 JUAXEMBOXPZRCX-MRXNPFEDSA-N 436.607 2.375 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1540019226 DUKXGFGAQJGHIE-QFIPXVFZSA-N 431.512 2.246 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1540074275 XITDJYFEHWDFDY-NRFANRHFSA-N 426.565 2.440 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1540871830 UZOVWHASANXMNI-KDURUIRLSA-N 432.613 2.104 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCOCc1ccccc1 1541678767 INUZLAFXTCVDFY-LJQANCHMSA-N 426.521 2.142 30 10 IEEE CCn1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)N(C)C)cn1 1548375885 ZQBGBWJBDXUNCP-GOSISDBHSA-N 448.449 2.213 30 10 IEEE COC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554573984 LNZKMNDIQZSSNN-SFHVURJKSA-N 425.537 2.190 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1554689408 XOZJAHAWBLPYPV-GNDBUYPCSA-N 428.537 2.467 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1555196493 AMSRNXSFLMQSRW-HLAWJBBLSA-N 441.532 2.254 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1CN(C(=O)OC(C)(C)C)C1 1555611793 FEEOPFGSHWJMAW-CVEARBPZSA-N 436.557 2.465 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1563390050 POGDALBZBONXGS-AWEZNQCLSA-N 439.538 2.271 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1585305507 ZUMSTBBENIBUMA-GOSISDBHSA-N 427.501 2.065 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H](Cc2ccncc2)C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1585854010 JFQNKZQSWUAYAR-FDDCHVKYSA-N 429.517 2.465 30 10 IEEE CSc1nc(O)c(C(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)cc1C#N 1587652595 CDIGRTFJQIRNGF-CYBMUJFWSA-N 434.518 2.279 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1587765967 NGPSRWAUIIZWSZ-IRXDYDNUSA-N 432.550 2.059 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587831959 XFBOWZBHWLPIJZ-RHSMWYFYSA-N 432.908 2.381 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1588039769 FBKOPHBTTRCVGZ-AWEZNQCLSA-N 426.329 2.373 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588064655 MNBXGFKHRXVUDJ-CTNGQTDRSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)c1cc[nH]n1 1588200701 ZWHXINLQPLMDKU-UHFFFAOYSA-N 439.882 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1588224433 ZAJNTDLSWJKKNZ-FQEVSTJZSA-N 426.542 2.434 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1588310081 OREPIEQZCFSURX-HSZRJFAPSA-N 432.484 2.152 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)OC(C)(C)C 1588445186 HZOOZVDDQPTDDW-UHFFFAOYSA-N 432.550 2.254 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1588724300 WYRQSTHGKXGAMO-DENIHFKCSA-N 449.559 2.374 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1588752046 PMBVZFIZYOLLNW-DNQXCXABSA-N 445.608 2.015 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CC1(OCCOC)CCOCC1 1589228987 WUQHUJZYBGOXRA-HSZRJFAPSA-N 439.560 2.468 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1595418264 GOJJSLQEFVVOIO-UHFFFAOYSA-N 437.592 2.268 30 10 IEEE CN(C)CCOC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1616229808 CDOOVZMQODCQOR-FRIYVGAWSA-N 434.581 2.342 30 10 IEEE C=CCN(C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)[C@H](Cc1ccccc1)C(=O)OCC 1616305155 BXWLXKXAILDKTP-MRXNPFEDSA-N 449.529 2.152 30 10 IEEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1617079005 KGCVDGGFIJQHSB-QFIPXVFZSA-N 435.488 2.027 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1OC 1619210882 LSHINAXFEVMAOV-HUUCEWRRSA-N 435.431 2.115 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cnc2ccccc21 1619990131 OGRDRIMJQFCVLA-KKSFZXQISA-N 427.484 2.494 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)C1 1620153186 QDAPZJYSKSZNBO-INIZCTEOSA-N 439.488 2.459 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 1628921284 MFWCHIODHROFRC-AWEZNQCLSA-N 430.448 2.014 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)s1 1630288395 QWRSZWIQHAUPBG-UHFFFAOYSA-N 443.591 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)C1 1638203218 KSSXFPPOSAMBSP-PBHICJAKSA-N 427.505 2.322 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1644583383 MZVOTKGUGKDBSV-WIYYLYMNSA-N 445.516 2.290 30 10 IEEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1647405702 XBJDEMZUDGKMRZ-INIZCTEOSA-N 427.517 2.086 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OCC 1663975738 KJMFSFQMRIBXKX-CYBMUJFWSA-N 429.438 2.156 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCCOC1 1686929548 LORIJCUOTKMCAN-HSZRJFAPSA-N 428.533 2.182 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689989496 GCOVAKJQELAOIE-FQEVSTJZSA-N 427.574 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC1 1690063891 SNPALRBPGCYLIX-UHFFFAOYSA-N 444.605 2.141 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCS2)n1 1690109207 KGZBLYBODKTOPP-HKUYNNGSSA-N 430.578 2.160 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1690523903 SNZVFGVPDGAFHT-UHFFFAOYSA-N 443.529 2.221 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1690668023 PSZBCTLZYIDJAX-UHFFFAOYSA-N 433.516 2.334 30 10 IEEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1692797311 FBTQXVQPZYSSIY-DOTOQJQBSA-N 430.459 2.489 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)C1 1692846924 SKCCSPNWAQBFKP-GOSISDBHSA-N 446.449 2.448 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)coc2C)CC1 1695933767 SCOLEPHCUHUWBO-UHFFFAOYSA-N 447.543 2.333 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@@H]1C 1697075552 XFMGZIQWQQVDKN-AWEZNQCLSA-N 434.447 2.375 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1Cc1ccccc1 1705625981 DMOVMEHPYTVUOH-QFIPXVFZSA-N 433.560 2.429 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705626228 NGLRJUZPZVKJGC-UHFFFAOYSA-N 426.521 2.293 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)c(COC)c2)CC1 1705640849 IEOUPHZFDMECDK-UHFFFAOYSA-N 434.519 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1705699954 NKPTXUPVJIYWMK-LNLFQRSKSA-N 438.594 2.167 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 1705729206 PAGLBMNUNHJEFW-UHFFFAOYSA-N 427.553 2.105 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1706019745 DEWIFLCHSYHOHE-MSOLQXFVSA-N 430.459 2.346 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1711168277 RXDCPIGNGTVOBG-AWEZNQCLSA-N 435.410 2.194 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1712694981 FUVWBSWNOVOIQE-RBUKOAKNSA-N 443.529 2.045 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OC(F)F)CCO1 1712882606 DUCWUZXOEDJEND-INIZCTEOSA-N 446.458 2.087 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722342657 UPSFWQFSVDDUPO-AVRDEDQJSA-N 443.935 2.269 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722359468 SYYDOFQWGGMVED-QGZVFWFLSA-N 433.553 2.282 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722369629 CPWWGEYYTOFAAJ-AZUAARDMSA-N 444.557 2.008 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN(CC(C)C)C2)C1 1722713879 JYJRYVBDQWJCFC-XUVXKRRUSA-N 430.597 2.379 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1728522818 DZFCVIOATPARRO-LJQANCHMSA-N 445.545 2.292 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1728802198 HABPJIWZXHRIFV-KFKAGJAMSA-N 425.480 2.484 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1730480789 MQHRQUDDKVEIML-QGZVFWFLSA-N 435.525 2.463 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1730487993 XPOZBUJOZLQBEG-SFHVURJKSA-N 436.495 2.226 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740551342 TVRFTJWEGURKHX-SJLPKXTDSA-N 443.552 2.309 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1740560787 PQHUKSKIHIGBCO-PKOBYXMFSA-N 430.574 2.355 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1740622379 CBNSXCOKNHWUKR-IBGZPJMESA-N 444.605 2.007 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](COC)C1 1740714301 ZEENEPAIDVPCRQ-KRWDZBQOSA-N 432.546 2.180 30 10 IEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740721969 ZDKJPVDXNBCALV-INIZCTEOSA-N 446.964 2.091 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1740725923 RNYJLRLSNAYFQJ-YADHBBJMSA-N 431.537 2.153 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740760644 JZELMOSLSWPPKG-MLHJIOFPSA-N 426.583 2.023 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(=O)(=O)CC 1740894832 JHZLCXDLYNBJEC-UHFFFAOYSA-N 446.346 2.408 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1740935869 ZEBKUFFGTAWUFK-FPOVZHCZSA-N 438.576 2.185 30 10 IEEE CC/C=C\Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745071357 BQFSMBFBOZZZKX-LUNNPTDRSA-N 440.552 2.345 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1745793719 CYBGDEWHEDHFNG-SFHVURJKSA-N 448.531 2.494 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCO)c2ccccc2c1=O 1746471893 OKCQPCMWIGSEBM-QFIPXVFZSA-N 439.495 2.279 30 10 IEEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCCC1 1746754458 HHTJSQAOXFCQFC-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1747548282 HWGIVKQTJZUBJE-YCRPNKLZSA-N 438.467 2.263 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1748656269 PFSADYPKPKGBKM-XOBRGWDASA-N 448.365 2.241 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OCCOC)C1 1748734945 LBDUNVYADNPUBF-IBGZPJMESA-N 446.573 2.394 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1748883176 VNEKIVLJWHTRHP-IBGZPJMESA-N 428.487 2.159 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccccc2C(C)C)CC1 1748971602 WONXLQOXNMJAQH-UHFFFAOYSA-N 438.576 2.374 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1749068280 GQTASRRAPHRSHC-OXQOHEQNSA-N 449.433 2.461 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)CC1 1749135424 FCIKUTULMKJTCN-UWJYYQICSA-N 446.573 2.416 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1749142175 RSCNYQDXRGCFRR-UHFFFAOYSA-N 440.548 2.355 30 10 IEEE C=C(C)COCCn1c(N2CCN(c3ncnc4c3cnn4C)CC2)nnc1C(C)(C)C 1749240948 AGPZCBSQDOAOHY-UHFFFAOYSA-N 439.568 2.172 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1749322676 HQKJADPHOSPBDU-UHFFFAOYSA-N 430.597 2.152 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1749719713 ZVLLGOIRLNFBTG-DENIHFKCSA-N 447.967 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1749739634 ICTHMFOBHNNPGW-IBGZPJMESA-N 437.472 2.039 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCOC1 1750068319 AHHIJILIHSODBC-HOTGVXAUSA-N 431.566 2.261 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnnn1C 1760102734 PIXCMXPKJFBIFA-LBPRGKRZSA-N 430.310 2.351 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1760109696 CLYOVQLNFLFCAB-MAUKXSAKSA-N 429.594 2.036 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1760225825 AVZIZSBGAUTZFE-UHFFFAOYSA-N 440.367 2.320 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@]2(O)CCc3ccccc32)n1 1760251544 BVVQBTHJBFJYIT-XMMPIXPASA-N 434.544 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCCC2)CC1 1760269139 ZJSLKWUOQLGNSV-UHFFFAOYSA-N 435.576 2.100 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(C)=O)CC1 1760315492 FWITVQPUBNSDQO-SXLOBPIMSA-N 435.569 2.042 30 10 IEEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760376181 HVNZGKHHJVVVHK-INIZCTEOSA-N 432.887 2.233 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1760465318 CLEJMOJKGVXRAI-UHFFFAOYSA-N 432.575 2.235 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1760542972 PEQDWHVCBNXIAX-ZWKOTPCHSA-N 432.546 2.037 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(C)(=O)=O)C1 1760550221 VAIUWVVURPYOAH-IBGZPJMESA-N 434.562 2.300 30 10 IEEE CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1761060306 BPFDOWBWSIJYQX-GHTZIAJQSA-N 437.610 2.497 30 10 IEEE C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1761414899 XCUKBCSGHPXTSD-NVXWUHKLSA-N 429.519 2.274 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(OC)CCOC1 1761872144 GBDDLDUADVXVNO-VGSWGCGISA-N 425.537 2.190 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1772543387 JYDCXJRMIOYXFE-MRXNPFEDSA-N 440.483 2.104 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1772566484 RTSIHPZUUSNEJN-SFHVURJKSA-N 444.605 2.419 30 10 IEEE CCc1c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)nnn1-c1ccc2c(c1)OCO2 1850562962 SAZZSEGFOCZFRR-UHFFFAOYSA-N 430.468 2.392 30 10 IEEE Cc1[nH]nc2c1[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2C(=O)Cn1ncccc1=O 1851395447 DSUSEMOOGGZMIU-NRFANRHFSA-N 444.495 2.492 30 10 IEEE COc1cc(C=c2sc3n(c2=O)CCCN=3)ccc1OCCOc1ccc(C#N)cc1 1852691624 BOHXPKMHCSOWKY-UHFFFAOYSA-N 435.505 2.100 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)[C@@H]1C 1854296142 URNRESSLAVKNST-UONOGXRCSA-N 445.994 2.048 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3C[C@@H](CN(C)CCC#N)CCC3=O)nc12 1855474059 OZKBLGVIIKUHFN-OAHLLOKOSA-N 429.546 2.352 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C2(CCCC2)C1=O 1856218473 GRKQMUFFPLFTBA-UHFFFAOYSA-N 429.420 2.291 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C(=O)O2)CC1 1856596870 JTYBOLAMOUEWQX-OAHLLOKOSA-N 429.857 2.005 30 10 IEEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1(C)C 1857091602 NBKBYPLAOYSHKF-INIZCTEOSA-N 439.603 2.174 30 10 IEEE CCNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(C#N)c2)cc1 1859000323 KPKIGBIJSXYHDK-UHFFFAOYSA-N 431.543 2.095 30 10 IEEE C=CCOc1cn(CCN(CC)CC)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870385694 IMYKBFWJHUPUPX-UHFFFAOYSA-N 425.577 2.472 30 10 IEEE CCOC(=O)Cc1ccc(N2CC(=O)C(c3nc(CC)c(C(=O)OC)s3)=C2N)cc1 1872724308 BEKHNKUYSKWBQR-UHFFFAOYSA-N 429.498 2.314 30 10 IEEE CC(=O)Nc1ccc(-c2nc([C@@H](C#N)C(=O)CN3CCN(C(C)=O)CC3)sc2C)cc1 1872798967 AZSPKCANKPIOMH-IBGZPJMESA-N 439.541 2.417 30 10 IEEE CCCCc1nnc(SCC(=O)OC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874478592 IFBUHCYGICYRSX-VXLYETTFSA-N 435.462 2.447 30 10 IEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCOC(C)C)ncnc21 1875228707 AILCAJPHCSFYKK-UHFFFAOYSA-N 428.537 2.149 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)n2)cc1 1890010439 MNUPYSARHQJSJN-JXFKEZNVSA-N 445.479 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(Br)cc1C#N 2141244783 QBGPFOQCXRFOTL-ZDUSSCGKSA-N 425.283 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@H](N)C#Cc2ccccc2Br)C1 2227493736 QWIMJVQDULDDOP-HZPDHXFCSA-N 443.363 2.162 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2235727759 ZEGVPCXTSXRZDQ-XLIONFOSSA-N 439.350 2.387 30 10 IEEE CC(C)(C)OC(=O)NCC=CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255816929 NCXFPLOLTDBJGX-UHFFFAOYSA-N 435.305 2.331 30 10 IEEE Cc1ccnc(C(=O)NOCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829270 LZLLFMSJGLOISX-UHFFFAOYSA-N 435.330 2.265 30 10 IEEE Cn1cc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255831431 VYAXJDCZJDPTAD-LJQANCHMSA-N 425.338 2.133 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255879933 XMGBRLWYVPUXOJ-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]1C2 2266990456 RXTXZARGCSDGFT-DFFLPILJSA-N 448.325 2.133 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267002640 CQSMRWODHDNPMD-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H]1C 2267152696 SJBBIKSNTCARCH-CABCVRRESA-N 448.373 2.155 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2267163503 HPDGBXWZOQUJAG-CABCVRRESA-N 446.357 2.151 30 10 IEEE CON(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267261814 XDWPVQOXDVFTQP-MRXNPFEDSA-N 447.341 2.394 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267265716 JRRRQSADULIFIT-YQQAZPJKSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267838085 NATRUTCMGGCIRS-MRXNPFEDSA-N 445.369 2.129 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268640684 YHKGXZOUPHCWBF-RDTXWAMCSA-N 446.353 2.102 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268641001 KTWNEPWARSHNDQ-UHFFFAOYSA-N 440.349 2.399 30 10 IEEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)c1 2296562391 KNMSHEPRTPTVOO-NRFANRHFSA-N 437.496 2.234 30 10 IEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(=O)O)cc1 2327450103 SOPWIFYZBWQCRV-UHFFFAOYSA-N 447.423 2.293 30 10 IEEE COc1cc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)ccc1O 2329175639 DLUOBNAIGPQPOG-UHFFFAOYSA-N 427.486 2.073 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2cccc(F)c2)cc1 2330508355 IAHBRQJKJADVBH-UHFFFAOYSA-N 431.489 2.372 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331273581 RUJCUCVBGOOGEQ-UHFFFAOYSA-N 444.473 2.259 30 10 IEEE CCCNC(=O)CSc1nnc(CCC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331640584 BAYHYWUACJAACX-UHFFFAOYSA-N 448.505 2.411 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C(=O)OCC)cc3)cc2C1=O 9702317 IPTXQYXCUDEONZ-UHFFFAOYSA-N 436.420 2.441 30 10 IEEE COc1ccc(CSc2nnc(N/N=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)n2N)cc1 21326847 MIOZTOQOODYYBI-AWQFTUOYSA-N 445.461 2.361 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2)CC1 36211650 FUANTBRBHMSRLP-QFIPXVFZSA-N 449.507 2.368 30 10 IEEE CCOC(=O)CN1C(=O)[C@H](SC2=NC(=C3C=CC(=O)C=C3)NN2)CCc2ccccc21 103993672 BOOYZVVZSYNPGA-GOSISDBHSA-N 438.509 2.001 30 10 IEEE N#CC1CCC(CNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CC1 440997604 GFFRUUOMZBBAOW-UHFFFAOYSA-N 427.549 2.477 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CN(CC(F)F)C2)CC1 469659622 HGXLQUDAGDNQGL-INIZCTEOSA-N 427.293 2.355 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 481912233 JQEJIBWIISAHDX-VPWXQRGCSA-N 446.598 2.486 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C[C@@]2(CCOC2)O1 485090836 IMXDJISEJNMJOD-HSZRJFAPSA-N 436.468 2.481 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1C#N 489809667 NMNVGUGHACJYKB-UHFFFAOYSA-N 433.433 2.163 30 10 IEEE CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 490506135 VQROCNPKJCLHPJ-WOJBJXKFSA-N 440.997 2.341 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1noc(Cc2ccccc2C)n1 506944659 LXSUFJQBYPTCDV-UHFFFAOYSA-N 437.485 2.177 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2Cl)CC1 508907972 QCMHBINEOSGQBZ-SFHVURJKSA-N 431.924 2.097 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 508932194 SABQDUKDJXMYOS-AWEZNQCLSA-N 442.549 2.030 30 10 IEEE C=CCn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 508958762 BXQPMWYVERDCLH-MRXNPFEDSA-N 435.532 2.308 30 10 IEEE CCOC(=O)c1ccc2c(c1)n(CCS(=O)(=O)c1cccc(C#N)c1)c(=O)n2CC 513789355 GXUBCENOULDBMK-UHFFFAOYSA-N 427.482 2.345 30 10 IEEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541104995 GSUINQFGNSAHLE-AWEZNQCLSA-N 441.923 2.214 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)O)o1 558472880 ASWCDKNZZANEQY-CQSZACIVSA-N 438.259 2.369 30 10 IEEE Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1CCc1ccccc1 558934918 XJCKLWKTSMFNSG-UHFFFAOYSA-N 436.541 2.212 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2(C(F)(F)F)CC2)CC1 726225915 OUHFNBLVPDTIBQ-UHFFFAOYSA-N 438.362 2.341 30 10 IEEE N#C[C@@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)C1CC1 731203129 KNPPYGZWSQXPSV-IAGOWNOFSA-N 425.514 2.141 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CCN1C1CC1 732706404 ILTIREWPBWYLGP-QGZVFWFLSA-N 443.935 2.103 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 739854109 LYAVCEFEIILFBC-AVRDEDQJSA-N 435.576 2.395 30 10 IEEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)CCN/C(O)=C1\N=CC=CC1=O 741339332 DZUPVHDBRQKNDC-XGXBSQSSSA-N 435.864 2.444 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc([C@@H]2CCS(=O)(=O)C2)n(C)c1=S 745155478 RNPMEJZDIVBUQX-OAHLLOKOSA-N 437.547 2.407 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 748515403 BCURTCLSXUEVTD-YQQQUEKLSA-N 434.581 2.001 30 10 IEEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1)[C@H]1CCS(=O)(=O)C1 751274544 XCEYEJFYONVGQH-KRWDZBQOSA-N 449.536 2.264 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766371717 GESUMMGOOMIFBE-OAQYLSRUSA-N 428.533 2.110 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1-c1ccccc1C#N 782927192 UONSENAIUMHNAV-UHFFFAOYSA-N 430.876 2.386 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)n1 789237351 KMNQTICHXHIKSP-NRFANRHFSA-N 437.544 2.405 30 10 IEEE COc1nc(Br)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 789421869 DQEBKICOQGEHOV-JTQLQIEISA-N 439.291 2.030 30 10 IEEE Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 795325371 QZYADSKTKKIJRV-LJQANCHMSA-N 445.472 2.023 30 10 IEEE CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 916921771 BGZLTVNYNKGQLY-HVPFBLEYSA-N 426.473 2.233 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1 921163692 NHNLFGIEGMBRFB-UHFFFAOYSA-N 443.525 2.098 30 10 IEEE Cc1cc(C)n(C(=O)CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)n1 1083918206 ZCVKPLFIYFUCTI-UHFFFAOYSA-N 430.542 2.078 30 10 IEEE C[C@H](NC(=O)CSc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)n1N)c1ccccc1 1084266740 OQZRJDOLXBMNJV-ZDUSSCGKSA-N 440.489 2.316 30 10 IEEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084435896 MHHXQZGKFCPFDX-UHFFFAOYSA-N 442.549 2.486 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@](C)(O)C(=O)OCC)nnc1-c1ccc(Cl)cc1 1138071405 QUGWYSBZNZXOMP-LJQANCHMSA-N 438.937 2.307 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1139092340 DPQYCZUGEQNXAF-KRWDZBQOSA-N 432.521 2.351 30 10 IEEE C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1)C(=O)OC 1141994955 DIKZPTFEPGVYFG-WMLDXEAASA-N 435.318 2.291 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCOc2ccccc2C(F)(F)F)c1=O 1166614906 OUUTVMDLAYCRPD-UHFFFAOYSA-N 439.390 2.321 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286384254 GZUUREFDUJUHSB-RTBURBONSA-N 431.562 2.033 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1286391437 DKOIKKGTPJRIGY-NRFANRHFSA-N 443.617 2.357 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccccc1OC 1286432663 SNMKCFQHJUGDLW-IBGZPJMESA-N 435.528 2.340 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCc2ccccc21 1286466386 GHBLTLPXDADSAD-PMACEKPBSA-N 442.585 2.386 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2Cc2cnn(C)c2)n1 1286470692 BHFSLDFDNJVNJA-UHFFFAOYSA-N 448.506 2.349 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(F)cn2)CC1 1286473110 IKQFRMFJOKWFCD-UHFFFAOYSA-N 436.491 2.300 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1286522450 KRGWQPWLTREMKE-HDMKZQKVSA-N 426.633 2.021 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286593903 TWBSFCSMNPJHOT-KRWDZBQOSA-N 428.924 2.308 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1286949246 HDBYVJWNAQIPJW-UHFFFAOYSA-N 444.561 2.005 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)C1CCC1 1287002077 BOLWIPJBPJZAMU-UHFFFAOYSA-N 437.548 2.417 30 10 IEEE CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1294920392 JRAMBJRDEUCKHZ-ICSRJNTNSA-N 426.521 2.036 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1297638742 HDIWYPASWABUJH-QGZVFWFLSA-N 435.525 2.205 30 10 IEEE C#CCCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300424782 LNFLUZGSYZIBBH-QHCPKHFHSA-N 429.565 2.181 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1300501733 NERSSWQNVNLASF-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(NC(C)=O)nc1 1300511200 GLXKIIINLRKZLJ-UHFFFAOYSA-N 444.495 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCN(C(C)=O)CC1 1300529100 DXZWNGALGYXUAB-UHFFFAOYSA-N 441.539 2.462 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2nccn2C(F)F)CC1 1300726612 QUKPQUAPUVKXFE-UHFFFAOYSA-N 433.507 2.472 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1301514510 JYRWNBBEZYVHFZ-JKSUJKDBSA-N 431.562 2.498 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301535235 JLBQOIWTGGNSRB-PZJWPPBQSA-N 441.532 2.084 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1301535252 JYOWKNOEJOQBHZ-HZPDHXFCSA-N 436.557 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301578446 AUQDSNBHQCHHKM-LJQANCHMSA-N 430.578 2.006 30 10 IEEE C=CCCC[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1303687418 PWOFAHIWGADMBJ-OAHLLOKOSA-N 437.290 2.449 30 10 IEEE CC1(C)CN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1303980117 RDUSOIVQHQOSIR-OAQYLSRUSA-N 443.483 2.406 30 10 IEEE C=CCn1c(SCC(=O)N2CC(N[C@H]3CCOC3)C2)nnc1-c1ccc(Cl)cc1 1304079607 QGTCQITWGRCCSF-INIZCTEOSA-N 433.965 2.466 30 10 IEEE COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)CCc1c(C)nc(O)c(C#N)c1C 1304136021 PETFMZNAPWCGFM-QHCPKHFHSA-N 435.484 2.306 30 10 IEEE CN1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccc(F)cc1 1323005352 TVWYZFYREKCNBW-TUNNFDKTSA-N 449.486 2.464 30 10 IEEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1349278639 YLEUAXVGWMICTB-KRWDZBQOSA-N 444.509 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(F)(F)CO1 1358885978 VJCRXYHODKDZSP-KBPBESRZSA-N 438.504 2.120 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cccnc1N1CCOCC1 1358949946 SQKUMBLJRSEBHA-UHFFFAOYSA-N 438.482 2.496 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358965045 MXQOKRPIECHRQQ-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1359019593 ZLBWOQHNPREWJU-JKSBSHDWSA-N 432.496 2.183 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2C)CC1 1359024350 LHSOOLJNHVJYLX-LJQANCHMSA-N 442.585 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCCOC)CC1 1359103200 LQSVITPSNQMPGT-GCJKJVERSA-N 447.580 2.014 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359174716 MVWRYMPVZOZBCP-RXVVDRJESA-N 438.594 2.156 30 10 IEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359207079 YKQODAGAWOEUQW-HLAWJBBLSA-N 430.597 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359297337 MYMZMCFQLAVRDL-FQEVSTJZSA-N 438.576 2.104 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359298176 PUOCGGWPUXMPQB-GOSISDBHSA-N 441.923 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359326715 IJIPGJCKWJQYHP-WMZOPIPTSA-N 436.582 2.187 30 10 IEEE COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@]3(C#N)CCCOC3)c2)cc1 1360285125 WSLCPOUCVIAIOL-OAQYLSRUSA-N 429.498 2.433 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1360785565 YCVNJMJASKJAED-JPYJTQIMSA-N 438.532 2.438 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)ccc1F 1436607166 YPIOMJXNJZAYNJ-QZTJIDSGSA-N 446.500 2.319 30 10 IEEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1nc2c(cc1C#N)C[C@H](C)CC2 1440102860 PCZNRNVUVSNHLX-GFCCVEGCSA-N 431.500 2.408 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1447486965 QKSKYAQXSAPADV-CHWSQXEVSA-N 434.497 2.256 30 10 IEEE C#CCOc1ccccc1CNC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1465188614 KBHHLWLSIHDXJM-UWIFEVILSA-N 434.414 2.300 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CC[S@](=O)C(C)(C)C 1494135172 BZQXVBXVIKEXHT-IWAYBZMOSA-N 442.593 2.079 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCC(=O)N1CCOCC1 1503461408 ALBREGQHIDMHIZ-UHFFFAOYSA-N 433.516 2.041 30 10 IEEE COCc1nocc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1504658794 GLYQHNQYOSBAPC-ZBFHGGJFSA-N 442.451 2.469 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1504705606 QMELXTYNJZMBLR-HSZRJFAPSA-N 438.532 2.070 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1507748404 QLYOELQMCWLVIN-UHFFFAOYSA-N 428.562 2.172 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507835823 NEYHLIHTTIJWMR-KRWDZBQOSA-N 434.585 2.140 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)[C@@H](C)CCC)CC1 1507901496 AKTAMLOWSHCWDS-FUHWJXTLSA-N 437.610 2.135 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507968987 YNSKSQCTRXDUGI-RTWAWAEBSA-N 444.580 2.484 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC3(CC2)C[C@H]3C(=O)NCC2CC2)nnc1C(C)(C)C 1508096993 FOFLKSWPOQLMNS-KRWDZBQOSA-N 428.581 2.011 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1508189411 VPDAUUUMXLVTHM-IBGZPJMESA-N 442.589 2.237 30 10 IEEE CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508400445 ZJNOFPLPFIAXRY-JOCHJYFZSA-N 445.527 2.240 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1(C)C 1508687338 ADWTVACJSCOUOX-FGTMMUONSA-N 444.580 2.473 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1510279588 CLNDWFQQUHQOFK-DAYGRLMNSA-N 442.495 2.201 30 10 IEEE CCCC(O)(CCC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1514347656 DPFKVUXABCZUAF-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE COCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1519068523 ZQGFXDXSERHIKM-KRWDZBQOSA-N 448.531 2.367 30 10 IEEE CS(=O)(=O)C1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1537779274 PSKHNNPQDKZISB-GNHJJJEISA-N 437.949 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)cc2)CC1 1539489798 XWSMMOGHWMHWGI-UHFFFAOYSA-N 449.534 2.293 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539511116 QQQYHVBHWHOERV-DNVCBOLYSA-N 439.541 2.153 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539518172 WHQOHIBZSHXYJB-RTWAWAEBSA-N 446.665 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1 1539564390 YDEPWHBUEHMPQZ-RUZDIDTESA-N 448.571 2.337 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)N(C)C)CC1 1539873850 FKBHMWTYIRZUTC-WMZOPIPTSA-N 426.631 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1540904336 MHVTXWJJUXWOLR-UHFFFAOYSA-N 441.598 2.182 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)cc1C 1542431250 QPQKWUPYGOJMRA-INIZCTEOSA-N 434.447 2.158 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)s1 1543100263 KZLYSTWDWGZQJJ-KRWDZBQOSA-N 436.545 2.311 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)C(=O)OCC 1544338088 ADXSZCPCNOCANU-ZDUSSCGKSA-N 431.674 2.486 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1548334824 JJQFCSBLJUWWKY-SFHVURJKSA-N 440.932 2.370 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Br)n1 1554350321 SCVGBBMDQYDQFO-AWEZNQCLSA-N 428.294 2.218 30 10 IEEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1555459335 LLLMKUKMFCMCLR-UHFFFAOYSA-N 448.531 2.220 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1555519331 DCEVYMMKFDYGKR-NRFANRHFSA-N 449.563 2.218 30 10 IEEE Nc1nc(N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)nc(C(F)(F)C(F)(F)F)n1 1559218253 SOOAUCCCNYTNAG-OCAPTIKFSA-N 425.264 2.415 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 1563592819 IIEUAZBPENBLCV-FQEVSTJZSA-N 446.960 2.224 30 10 IEEE C=CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1587497675 DHNPXQCZMBKMSR-GASCZTMLSA-N 430.954 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1588930121 NXSVENWTSWHGJF-NHCUHLMSSA-N 437.544 2.136 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1594448520 HUXHVOPTCWTRSX-FQEVSTJZSA-N 443.640 2.333 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1595602276 ITTDBEPBBDJSDS-VGOFRKELSA-N 435.569 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](C2CCOCC2)C1 1595784522 HYODACKUYPACIO-IBGZPJMESA-N 431.562 2.194 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F)c1cc[nH]n1 1597312095 LTZUBZHRDWEUAL-MRXNPFEDSA-N 428.367 2.122 30 10 IEEE C#CC1(O)CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(OCC)cc2)C1 1603217020 NITZTBAHEXVYQS-UHFFFAOYSA-N 435.509 2.027 30 10 IEEE CC[C@H](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613139861 QXXUXKVWHISNMD-KHYOSLBOSA-N 426.521 2.378 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3C[C@H](c4ccccc4)CO3)C2=O)cc1 1617885844 QEWFDIBBUQQPEV-SESVDKBCSA-N 432.480 2.452 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1nc(C(=O)OCC)n[nH]1 1618277795 KHEZQBUANGNJDC-HUUCEWRRSA-N 435.525 2.492 30 10 IEEE COC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619599671 IIPFRBOQUFQFTB-MRXNPFEDSA-N 438.463 2.281 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CCN1C1CC1 1620355600 WQQXRAHHGNOIJX-KRWDZBQOSA-N 448.930 2.313 30 10 IEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1620623977 LSTVRHZESRVSPK-HRAATJIYSA-N 442.541 2.209 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](OCCN4CCCC4)C3)C2)C1 1622395620 FOWIHSSZFWOVGA-PGPPMQCXSA-N 446.592 2.487 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 1623915009 YBGAHHNJVDJHBW-HNNXBMFYSA-N 440.440 2.216 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1633898317 ZKBYHONPTCVODO-SFHVURJKSA-N 431.452 2.471 30 10 IEEE Cc1cccc(-n2c(Sc3[nH]c(=O)n(C)c(=O)c3C#N)nc3ccccc3c2=O)c1C 1639166910 ATHAVLWDWBDAMY-UHFFFAOYSA-N 431.477 2.412 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1 1642692637 OPNAGVHOFZJNEF-UXHICEINSA-N 439.537 2.128 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1644462943 UORGABURFMMNSX-CJNGLKHVSA-N 425.323 2.360 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@](O)(C4(C(=O)OC)CCC4)C3)n[nH]2)c1C 1645552148 RDKADLBKICMUNR-QHCPKHFHSA-N 441.532 2.386 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 1648413646 FWHUTQXANICYRL-VGOFRKELSA-N 447.557 2.118 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1649680450 AEBFCORGGAECGF-GOSISDBHSA-N 440.548 2.326 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1650833791 INHAEOBPSASLNE-JTAQYXEDSA-N 428.533 2.154 30 10 IEEE COC(=O)c1cc(C#N)c(=O)n(C[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)c1 1652584970 AWFPKOFJALACMQ-QGZVFWFLSA-N 431.489 2.313 30 10 IEEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1655010052 LADFZRNIPXLIFM-QGZVFWFLSA-N 425.982 2.461 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2nc(Br)c(Br)n2)c1 1656557071 OPGNRQAZTBJALI-UHFFFAOYSA-N 427.056 2.133 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1668748146 FTUYOJPSROJUGR-CYBMUJFWSA-N 432.456 2.232 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1672452059 BYJOLWHQSVRTCI-SFHVURJKSA-N 432.477 2.052 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CCN(C)CC1 1677504935 RECXMYFVTNPRMU-OALUTQOASA-N 426.561 2.175 30 10 IEEE Cc1ccc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cc1 1681226366 GAZWFRLHAZJXRN-WMZOPIPTSA-N 427.505 2.112 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1689988787 WJSYJZOFIRCHFW-BZSNNMDCSA-N 428.562 2.188 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1689989314 DBUJVSFSBWOECE-OALUTQOASA-N 438.594 2.209 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690017181 AQENDNBOWYXEPL-PKTZIBPZSA-N 433.556 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1690026638 HDNLXJCGVXMWNJ-FQEVSTJZSA-N 440.569 2.372 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1690248161 LCLDVSHAQXLXDU-FPOVZHCZSA-N 447.605 2.144 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1692015151 QPOISZQDWBBGQH-XXBNENTESA-N 438.532 2.068 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1692882138 AYUABKMPHKMPEH-LJQANCHMSA-N 445.483 2.267 30 10 IEEE C[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1693692979 OOCBWROTQDKWMO-SIUCFOQUSA-N 436.516 2.415 30 10 IEEE CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1694406195 QVLUQIPCPPQGMP-HXUWFJFHSA-N 449.563 2.158 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(F)CCC2)CC1 1705651053 HUCHSSCMPOQBCO-UHFFFAOYSA-N 441.555 2.388 30 10 IEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1705684815 DERPSKRZBLDMMF-CYBMUJFWSA-N 445.321 2.326 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705703072 LBOYSMWUTDFOED-HBFSDRIKSA-N 427.553 2.012 30 10 IEEE C=C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1705767527 NUNXUFPKAUGOEN-UHFFFAOYSA-N 439.545 2.190 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705908567 CYTUBOIKSMYGIW-SOAMZJECSA-N 431.581 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCn2nc(C)nc2C1 1705933924 VXSXGOXVFRMGNZ-UHFFFAOYSA-N 441.561 2.028 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1710251547 HIHNWUYVIQVWQN-DBXWQHBBSA-N 434.610 2.185 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722357340 ZLEHSBPNNNQEOA-CQSZACIVSA-N 432.550 2.252 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(C)(=O)=O)cc1 1722417700 QDTABFRIFQIHLG-ICSRJNTNSA-N 446.573 2.108 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1722436346 DJUSRKFHYZKZQB-LJQANCHMSA-N 444.580 2.142 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1722529368 RYOFHOAMHGVTIB-MRXNPFEDSA-N 433.578 2.085 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 1722539508 RULGJOBSZROUIX-FDDCHVKYSA-N 425.533 2.432 30 10 IEEE C=C(C)Cn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1722553587 UGYMLWGUDIKWGT-IIBYNOLFSA-N 431.541 2.081 30 10 IEEE C=CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1722651969 XONCGJWMHOYCAO-UHFFFAOYSA-N 438.576 2.484 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C(C)C 1722696998 GJDWOOHQPHFCQY-SFHVURJKSA-N 435.532 2.119 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1722699667 XCLQGPLHOXJYMI-LJQANCHMSA-N 425.533 2.477 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722702902 QLTGBNROEHFAIO-HXUWFJFHSA-N 439.560 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(C(C)=O)CC2)C1 1722719814 AEFRVGBINWICRX-OAQYLSRUSA-N 441.580 2.180 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)C 1722869280 HMLGBXHOIZMESD-CYBMUJFWSA-N 435.326 2.304 30 10 IEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)c1ccsc1 1723961748 HGJOOKPWZGFHSX-HXUWFJFHSA-N 427.555 2.355 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cs1 1725452972 HGGRWVMZODXWLE-GOSISDBHSA-N 442.570 2.448 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)OC 1727281844 QPBLQILKZHURDL-XMSQKQJNSA-N 427.505 2.149 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1730670629 HXCXSHFSYGBMQL-QHCPKHFHSA-N 438.532 2.262 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC(O)CC1 1740536189 ALDZFQZZCSVTII-CQSZACIVSA-N 435.370 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(C)=O)CC1 1740646683 IDVWDAHRFWAEEA-XMMPIXPASA-N 441.576 2.040 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)[C@H](OC)C1 1740711911 WYXVBSOCNAHHBY-GASCZTMLSA-N 440.367 2.252 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740722732 IRFJEIBQGTWUFI-WIYYLYMNSA-N 445.593 2.118 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1740773853 FMMQLQDOTSDUJC-IBGZPJMESA-N 449.577 2.070 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1741085534 AXCUICRZQGJLNP-UHFFFAOYSA-N 436.545 2.324 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1741240585 YGMCAMJDIAFDGF-LJQANCHMSA-N 440.548 2.065 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741386143 ULWWYTDKFBETOK-QQMHEVNUSA-N 438.536 2.077 30 10 IEEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1741629368 FLFWGXGLLWHWDK-JOCHJYFZSA-N 437.592 2.194 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1741801595 BQAPIPFNUSTJPE-KKSFZXQISA-N 442.593 2.058 30 10 IEEE CC1=C(C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1742039365 SQTVINVNBAPGKD-DQRAZIAOSA-N 433.516 2.337 30 10 IEEE CCCNC(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1745782354 YKZWVBCHCOGUCW-AWEZNQCLSA-N 447.337 2.353 30 10 IEEE CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1745905739 AXXOIDYZKRKNMA-RTBURBONSA-N 428.562 2.477 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)cc1 1748853231 YRMISJSLDGYHGF-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCOc2ncccc2F)CC1 1749005307 VEKDSITYNFRVMD-INIZCTEOSA-N 428.512 2.371 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749106068 WILOVERVHFYWLS-YJBOKZPZSA-N 447.381 2.329 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1749457737 PLGYMGUSCUTUDK-UHFFFAOYSA-N 447.605 2.242 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1749665773 CAUNJWSDJRFXTJ-HOTGVXAUSA-N 435.532 2.119 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCc1cccs1 1749666191 IXCVZGFQHXDLEJ-UHFFFAOYSA-N 428.518 2.048 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749703628 LYBNOTUTPQXURE-OALUTQOASA-N 445.589 2.316 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H](C)C1CCC1 1760137459 KJKOBQUOXNMZKE-IEBWSBKVSA-N 437.610 2.429 30 10 IEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CCCC1 1760207103 XRSCZJQEWKYORW-UHFFFAOYSA-N 440.569 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760250486 IVFKCQDLUOAFCL-XXBNENTESA-N 428.508 2.432 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCN1CCN(C)C(C)(C)C1 1760250901 SJTNDHJCCLILGZ-UHFFFAOYSA-N 438.620 2.289 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1760256962 MDWOJMPVXKLUJS-LGVFNWMJSA-N 445.608 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1760267656 VKDAZRKAFODXRY-GOSISDBHSA-N 432.528 2.209 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1760336703 HEKLJBZWEPWNPH-MRXNPFEDSA-N 443.639 2.299 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1760473417 UAEYTXLEEMXUHZ-UHFFFAOYSA-N 441.561 2.132 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760524356 WBGCDXZREAEEIO-UHFFFAOYSA-N 442.486 2.133 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1763297867 XLDMNGYZWMIDLM-RBUKOAKNSA-N 449.559 2.226 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(CN(C)C)c1 1767863982 MGSVMNKUSIXYPW-UHFFFAOYSA-N 447.543 2.459 30 10 IEEE COC1(C(F)(F)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOCC2)CCOCC1 1769696978 CJKBHCTUAPDTFZ-UHFFFAOYSA-N 433.459 2.484 30 10 IEEE Cc1nn2c(C)c(C(=O)N=c3[nH]n(C)c4ccc(C5OCCCO5)cc34)cnc2c1C#N 1851845585 FCBSYOCLELMZKQ-UHFFFAOYSA-N 431.456 2.214 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1854556259 BAEFQGMJHWWQGD-UHFFFAOYSA-N 446.916 2.200 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(C[C@@H]3COCCO3)C3(CCCC3)C2=O)c1 1855610200 UOKHHOBGIJERRM-QGZVFWFLSA-N 431.920 2.419 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1 1861540356 YNVUIBDGHVSVOH-OALUTQOASA-N 439.578 2.110 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(C(=O)O)cc1 1864739009 YDUIQVXRCHNPSL-SFHVURJKSA-N 431.452 2.271 30 10 IEEE C=CCNC(=O)[C@H](CCSC)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 1873841303 OZKTVUNOAOVWLI-IBGZPJMESA-N 443.573 2.059 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(C)cc1 1874433047 ARIXPEJPUQZAJG-AUEPDCJTSA-N 426.502 2.106 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1ccc(C#N)cc1 1889320550 ZLZWHTIILYTDMY-RTWAWAEBSA-N 428.558 2.080 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1890979652 YDHSRZGNKKOUBK-QGZVFWFLSA-N 436.464 2.018 30 10 IEEE COc1cc(Br)c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1OC 1891198665 YSURRERFGYILPQ-UHFFFAOYSA-N 432.278 2.089 30 10 IEEE COc1ccc(Cn2cc(C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)nn2)cc1 1891277273 LXTFWTBBAUIFNA-UHFFFAOYSA-N 431.500 2.343 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1891382748 HIIBBVUBWYUNSB-UHFFFAOYSA-N 428.514 2.002 30 10 IEEE CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 2040787295 DNOWCBKZXYGVQD-UHFFFAOYSA-N 435.527 2.155 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060768779 BCDSSPDMOXPMGR-RBUKOAKNSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073752376 OWNVRTMOQAWOLN-KBJGYGKASA-N 436.358 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124521859 LTRXKVAXWIMWMD-ZMSHIADSSA-N 448.369 2.419 30 10 IEEE CN(C[C@]1(C)COCCO1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2174269484 PTDXWOFBSTXCRT-GOSISDBHSA-N 427.148 2.385 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2247921129 JZHQQUCBAZERPB-UHFFFAOYSA-N 425.363 2.400 30 10 IEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254798269 AVCRCXKAPGJSNL-SJORKVTESA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2255526683 XVDKFUYMAKNODW-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE CCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2255632299 LDLQLMFYRHCETO-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255665944 MIDRIRZPNRECSR-UHFFFAOYSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255698693 RVRRLESBNKAQJS-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE CCN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255803991 XNRZHYVNGFBFBL-UHFFFAOYSA-N 431.342 2.462 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835092 SOGYNOZBQYVATA-LJQANCHMSA-N 427.354 2.379 30 10 IEEE CC(C)(C)OC(=O)NOCCNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2255882528 QMLUEQJFFFZVIN-UHFFFAOYSA-N 442.268 2.450 30 10 IEEE C[C@H]1C[C@H](N(C)C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267010565 VSGBARFMHDCTSF-HKUYNNGSSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267141704 MCECODHNTONMBI-FPTDNZKUSA-N 446.357 2.086 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(Cc2ccccc2)C1 2267161938 JAWNKZLGSMZPNH-PKOBYXMFSA-N 436.365 2.416 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2267182221 CUINZSULYMJQHK-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267499593 WEYFRTACEWRIGA-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267592482 MTGGJXPQAGRJCL-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE C[C@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268714585 BDHAJVHLRRUGMR-RDJZCZTQSA-N 448.369 2.296 30 10 IEEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)c1 2296091194 BXLMHOFNMMDNHX-FQEVSTJZSA-N 426.469 2.432 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc[nH]1 2330727037 OLDXWJNQFJLJIM-UHFFFAOYSA-N 425.518 2.472 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2334263240 UONYQJQACBNWPC-AJNGGQMLSA-N 446.357 2.131 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)n1 2337020341 OLBIOZSGCIFIJE-AEFFLSMTSA-N 447.385 2.401 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(Nc1ccc(C#N)c(Br)c1)C(=O)O 2350877300 IFPZKDGAIYGZLI-DYVFJYSZSA-N 426.267 2.480 30 10 IEEE COc1ccccc1N1C(=NC(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 254351294 UPFYHTYAMDTRLR-FUHWJXTLSA-N 432.523 2.376 30 10 IEEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)[nH]c2c1 484059841 JANWHKYNDMREAT-UHFFFAOYSA-N 436.903 2.361 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1Cl 502034319 UBLXVJKSCCUMMR-ROUUACIJSA-N 444.944 2.089 30 10 IEEE CN1CCN(CCCNC(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](c2ccccc2)C1 502367093 QKUIRNVPQUSIRE-HSZRJFAPSA-N 447.587 2.164 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 503131550 MLUGXAXTKWKVMI-NTKDMRAZSA-N 440.544 2.198 30 10 IEEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 508510010 PRMUUDQSPKMFJW-UHFFFAOYSA-N 449.540 2.128 30 10 IEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2CCOC[C@H]2C1 508903103 NLJCUYUFQYXMLE-CQSZACIVSA-N 434.338 2.423 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 508937097 VQTFXLAOFFRNAR-XJKSGUPXSA-N 425.942 2.306 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 522805832 SHYGIDHEIOZTGN-IBGZPJMESA-N 442.527 2.397 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)s1 531655053 BRRUOTHKXBETRK-UHFFFAOYSA-N 439.562 2.056 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cn(-c2ccccc2)nn1 541689890 LOSFWNJHMLMEMW-WZONZLPQSA-N 447.518 2.466 30 10 IEEE N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 553547123 HXTRMNQOEMPZBY-NVXWUHKLSA-N 429.473 2.036 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 571583518 LBBSWQHKNIBWDR-APWZRJJASA-N 437.562 2.182 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 576033549 OOICGZSPYDSOIX-UHFFFAOYSA-N 436.438 2.343 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CCS1(=O)=O 576721200 VIKDQCPIJINXED-SFHVURJKSA-N 429.546 2.399 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@H]1CC 576971520 ZBQWQUSTKUNBBC-HZPDHXFCSA-N 437.591 2.372 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC1 604179847 RNSUQHJJQWJAQF-UHFFFAOYSA-N 434.968 2.018 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 608889566 CXFRQUGTZFZHEW-UHFFFAOYSA-N 426.904 2.165 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c(OC)c1 609254630 VYSKXONWEFBLMD-UHFFFAOYSA-N 426.448 2.382 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1 610472112 HGOCVSLYZBYMMI-QGZVFWFLSA-N 426.452 2.214 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 613357266 ZLWIRJFZEPXWHT-QGZVFWFLSA-N 435.527 2.162 30 10 IEEE N#Cc1ccc(OC2CCN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 728792128 PBMBQYXXFOYYMC-UHFFFAOYSA-N 430.555 2.124 30 10 IEEE C[C@H](OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(=O)N(C)CCC#N 729173946 HHDGCHAUUFPJLG-JXFKEZNVSA-N 433.464 2.198 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC(F)(F)F)C1=O 730140209 UYWCDHCSIYGUBG-AWEZNQCLSA-N 427.452 2.120 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(Cc3nccn3C)CC2)ccc1OC 733656919 QNINIYLMKJSZGR-SFHVURJKSA-N 426.521 2.137 30 10 IEEE C=CCc1cc(OC)cc(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1O 754727079 NPQGHHGMADFADS-UHFFFAOYSA-N 431.558 2.360 30 10 IEEE C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 769838303 HNCXLDXBRPXXRQ-OTGIAGGSSA-N 429.498 2.155 30 10 IEEE C=CCn1c(-c2cnccn2)nn(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1=S 771634801 KIFMXOVOIACFCC-KRWDZBQOSA-N 426.550 2.438 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)ccc1OC 779571182 DHOYWEHOWOULDR-KRWDZBQOSA-N 432.521 2.155 30 10 IEEE COc1cnccc1[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 783870580 RJSBHBDMFCXHFO-YOEHRIQHSA-N 430.530 2.421 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 802009593 YJIKXXSCZAXRKR-HYBUGGRVSA-N 447.624 2.402 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 802580852 HFNRITGILRANJS-IBGZPJMESA-N 427.505 2.401 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 806747936 HZKPAQROCVRXGY-CQSZACIVSA-N 442.447 2.327 30 10 IEEE C#CC[C@]1(C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)CCCN1C(=O)OC(C)(C)C 809671256 XGBWSYVTHNCHFT-HYBUGGRVSA-N 432.609 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC1 812416971 JLALMSAERQKFNX-QZTJIDSGSA-N 446.552 2.363 30 10 IEEE C#C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812748248 LTAUXZWIXJLJIK-RTBURBONSA-N 431.445 2.378 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1116553650 QHNRQYYLGOSVHM-KXBFYZLASA-N 436.306 2.020 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1128479770 IFRYVXVDFJBXGG-OAHLLOKOSA-N 430.555 2.067 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 1146222297 YITXGHZIPSXWQK-GBXCKJPGSA-N 432.480 2.049 30 10 IEEE N#Cc1cnc(N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)c([N+](=O)[O-])c1 1149302629 DWGBYEMXQNDMBF-UHFFFAOYSA-N 438.469 2.311 30 10 IEEE Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(CCC#N)CC3)c2)cc1 1152067723 CBNYCGANXATRQG-UHFFFAOYSA-N 426.542 2.492 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1158369018 VKSQRGZOZMJYKQ-OXBTWTFQSA-N 441.438 2.176 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCn3cnc(C(F)(F)F)c3C2)C1 1225938666 RONOCSQPYRXIBT-NWDGAFQWSA-N 428.415 2.186 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1 1234394032 FDGBVLFQMDYCNP-HNNXBMFYSA-N 428.518 2.415 30 10 IEEE CSc1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n1-c1ccc(F)cc1 1264321016 ARPJRNNLUPUBSK-UHFFFAOYSA-N 427.465 2.417 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(CS(C)(=O)=O)cc1 1286271753 VGBXCHGSDSSJGX-INIZCTEOSA-N 445.589 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1286293871 TXWPWOCETOLXLS-QZTJIDSGSA-N 447.580 2.392 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286329321 UUTBYSPDWXFIND-NZQKXSOJSA-N 449.603 2.056 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286398156 WHTKZFMTLIMSPW-UFYCRDLUSA-N 428.558 2.245 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1 1286410530 BLDVVFJQCBEIDL-UHFFFAOYSA-N 426.524 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccn(C)n1 1286418460 JFQJNCAEIDMOMG-UHFFFAOYSA-N 426.322 2.475 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N(C)Cc2ccccc2)CC1 1286482715 WPKIEQVYBYGQQT-UHFFFAOYSA-N 448.596 2.344 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1286564590 GWWWHBNIPCBBBS-GHTZIAJQSA-N 441.557 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1 1286567061 ULMXLGMKFVTBQK-UEXGIBASSA-N 425.533 2.192 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 1286600857 DQAOIUPNJJYZHI-UHFFFAOYSA-N 440.548 2.442 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286712011 WMOQMVOIXKZOTN-TZIWHRDSSA-N 428.581 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 1286783324 OLCOOJDDVGOXFI-LBPRGKRZSA-N 437.331 2.256 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286789482 HDVCZYVOWUSDGY-HNNXBMFYSA-N 442.549 2.011 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)OC)CC1 1286789593 FWOIFBBQZRBHMP-UHFFFAOYSA-N 425.533 2.145 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286789962 MFDIGUWTTODWFW-UHFFFAOYSA-N 425.533 2.155 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(Cl)ccc1OC 1286791450 ZRAMCZSXOOYOSR-UHFFFAOYSA-N 446.939 2.001 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC[C@H]1CC 1292132838 DBOKYRJNHDULGC-RTBURBONSA-N 431.585 2.190 30 10 IEEE CCOc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1296854541 PLFOOYPPKFGDED-WMZHIEFXSA-N 441.532 2.494 30 10 IEEE CCSc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1297848678 IFUGMCFIRNOTBI-KRWDZBQOSA-N 426.546 2.403 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)cn1 1298840099 DGWQHVXRCLVWBI-LJQANCHMSA-N 436.520 2.053 30 10 IEEE COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c(F)c1 1300224215 BSDZVCFGOYTTIU-GOSISDBHSA-N 425.468 2.065 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1300361543 HGGIUFFXQJOCER-SFHVURJKSA-N 437.610 2.226 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300413368 UOECNRWUPRBFTD-UHFFFAOYSA-N 437.592 2.058 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1300458756 MVCOZSFBVXZCJX-ZHRRBRCNSA-N 433.553 2.002 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1300488988 YIYCWLPMNRJPNU-RDJZCZTQSA-N 442.570 2.227 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1300771743 DSHDINYPWRPXNV-FQEVSTJZSA-N 436.520 2.105 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300856740 JAZUPMNTFUKULY-UHFFFAOYSA-N 434.342 2.264 30 10 IEEE C=CCC(C)(C)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1301158595 JXKPLCDAXOFCFT-OXJNMPFZSA-N 426.583 2.156 30 10 IEEE C=CCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301234657 OMIKXRZFLSARNW-AVRDEDQJSA-N 432.569 2.325 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC2CC2)C1 1301544188 UFINCMDLZQAKAY-OAHLLOKOSA-N 449.353 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)cc2)C1 1301565243 AJKUTPMAZSZOMF-HXUWFJFHSA-N 425.533 2.433 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1301620539 HCZPPESNUQUYIM-MRXNPFEDSA-N 426.546 2.315 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1313250234 KJWVDFJARXKQQS-JOCHJYFZSA-N 430.505 2.357 30 10 IEEE COc1cccc(O[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1315585077 GMSCOYOSQMWLDT-DYESRHJHSA-N 434.500 2.469 30 10 IEEE COCC1(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1315836120 XSLBKADCDVLBNN-QGZVFWFLSA-N 439.520 2.251 30 10 IEEE CN1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 1319485240 DMXULJFUHLOQJN-RXVVDRJESA-N 444.532 2.206 30 10 IEEE Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cccc1N1C(=O)N[C@@H](C)C1=O 1324208151 LBWAGXMTSWQLDY-GOEBONIOSA-N 431.452 2.303 30 10 IEEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C1 1342229680 XDRJDXSUJMGRKC-GOSISDBHSA-N 437.562 2.085 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1358889693 FOTRKCDMKLADOV-IAGOWNOFSA-N 426.546 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(C)cc1 1358984735 FRHUQAAAHPNRBY-OALUTQOASA-N 443.573 2.127 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc2c(c1)OCCO2 1359024507 ONUJYYQIGXPGTH-LJQANCHMSA-N 426.517 2.272 30 10 IEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC)CC1 1359035242 OZEWLNSJGASGTG-UHFFFAOYSA-N 446.596 2.184 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359048441 QUJCAOADGPTPQI-MRXNPFEDSA-N 436.545 2.019 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1359064514 UUCHRQSFDYSINA-GCKMJXCFSA-N 449.552 2.487 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1359126066 DMVSSCHRFVZCNN-INIZCTEOSA-N 443.614 2.265 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359219247 KMVBMCBKFXVYAD-HXUWFJFHSA-N 449.602 2.251 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1359271006 IMYRJUZJNYOUOZ-NRFANRHFSA-N 436.560 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)CC1 1359328030 RAXLCBVIWYUWRP-FQEVSTJZSA-N 445.589 2.089 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1C 1360879328 JPQOGCISJODISU-STSQHVNTSA-N 438.532 2.242 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cn1 1435134358 PDBNNBAUVDMKHQ-UHFFFAOYSA-N 443.301 2.008 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1440806491 AKPRVCRPHVGCKU-QHCPKHFHSA-N 446.523 2.498 30 10 IEEE COc1cc(NCCCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)ncn1 1452050446 KKTRQEYKVMLISW-UHFFFAOYSA-N 426.326 2.325 30 10 IEEE Cc1cc(O)nc(N2CCC(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)n1 1456155937 FTXKPVXEIXOKCR-UHFFFAOYSA-N 436.516 2.303 30 10 IEEE C#C[C@@H](NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccc(Br)cc1 1460789977 SVRRQSMGEUJTBR-OAHLLOKOSA-N 447.285 2.435 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 1467705296 AIDUOHALLNOZQE-ZCNNSNEGSA-N 441.528 2.302 30 10 IEEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3ccccc3Oc3ccccc3C#N)C2)cc1=O 1472120928 HDLLBIVJAKMAIK-MRXNPFEDSA-N 431.452 2.159 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(=O)(=O)CC 1507517687 RAHQCCCHKPGMDE-LSDHHAIUSA-N 439.969 2.469 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1507638176 PCWFIAGESHCXQA-KRWDZBQOSA-N 436.965 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1NC(=O)CC1(C)C 1507643105 HIPLGEXTMKFTLG-HNNXBMFYSA-N 429.322 2.023 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(CC)CCC)CC1 1507740096 XJOYUJJOCSYXAM-FQEVSTJZSA-N 430.597 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507809986 YBPAXYVXOLUOEK-FHWLQOOXSA-N 440.610 2.413 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc(C(C)(C)C)s2)C1 1508111167 WXBGOIOVFSXRMC-CQSZACIVSA-N 433.582 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)CC1 1508129832 CXPASBGBEAFBDV-MRXNPFEDSA-N 432.550 2.153 30 10 IEEE CC/C=C/Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514208471 GVCWILXALOYQKY-BQYQJAHWSA-N 448.579 2.346 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 1517017319 NODIWGLCPSNRHF-HXUWFJFHSA-N 431.539 2.284 30 10 IEEE CN(C)c1ccc([S@@](C)(=O)=NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1534820835 BHEIDNAMBSQEGZ-MUUNZHRXSA-N 434.543 2.242 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1539117981 YVVLDBCVYQVQBY-GOSISDBHSA-N 426.496 2.117 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(c2ccncc2)CC1 1539158526 CFUVRWRLKMUHJJ-UHFFFAOYSA-N 440.555 2.493 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2ccnc2C)nc1 1539272864 FPTUNRDNNSULEH-UHFFFAOYSA-N 439.527 2.150 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C1CC1)N(C)C 1539405870 OTKPIPLNPACTCX-IBGZPJMESA-N 425.533 2.143 30 10 IEEE COc1ccccc1[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nccn1C 1540656635 FHJIOSGIMYJIAA-IBGZPJMESA-N 442.472 2.384 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540865834 UDCGUEUHPFIZFL-HNNXBMFYSA-N 447.465 2.192 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1541488398 OMPXUVOYNAUVFB-XOMICKMZSA-N 436.520 2.134 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1554470446 VNRIGVQCNWUFRV-IBGZPJMESA-N 432.532 2.472 30 10 IEEE COc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1OC(F)F 1554936321 LCGXUZDCDTUUJA-AWEZNQCLSA-N 443.414 2.122 30 10 IEEE C#CCN(C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)C1CCN(C)CC1 1558508230 ZXCQBWQRSFOUAB-UHFFFAOYSA-N 433.618 2.453 30 10 IEEE C#CCOc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1558881200 VHYQTIJGAODVJZ-FQEVSTJZSA-N 441.528 2.383 30 10 IEEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1559948883 HAPRANNGWALWAS-XDNAFOTISA-N 441.576 2.330 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1587567069 AUYSWYMZHFACBM-DVECYGJZSA-N 439.560 2.273 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCC1 1587921565 BPOXRHCBQPGBID-UHFFFAOYSA-N 429.594 2.102 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1589163593 LFYMMLLNJVFGPH-GOSISDBHSA-N 429.326 2.215 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1611414595 VPHYZTGZUYPSMF-KURKYZTESA-N 448.568 2.404 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C)n(C)c2=O)cs1 1612402339 FZZXEOFKPXLNNJ-FQEVSTJZSA-N 427.509 2.131 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@]3(N(C)C)CCC[C@@H](C)C3)CC2)c1C#N 1612469577 CHSJYPBPGAXQIQ-UZUQRXQVSA-N 439.612 2.337 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1ccccc1 1613594388 IDMDLEFUYUHBGT-QFBILLFUSA-N 426.521 2.393 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1617696578 COWJBBVWPOBPSW-QGZVFWFLSA-N 449.353 2.015 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccc(OC)cc1)c1ccco1)c1cc[nH]n1 1630059639 JEQUXZNQBHWOQT-LJQANCHMSA-N 426.429 2.201 30 10 IEEE C[C@]1(c2ccc(CNC(=O)c3cccc(C#N)c3Br)cc2)NC(=O)NC1=O 1632113189 RVKMSIYMYCXNGS-LJQANCHMSA-N 427.258 2.305 30 10 IEEE CN(C)C(=O)CC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1632627810 JRWMSDWMYZPXKL-FRIYVGAWSA-N 432.565 2.490 30 10 IEEE COCCS(=O)(=O)CC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1637074886 RHULPCRFVSIFRY-UHFFFAOYSA-N 433.335 2.139 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1637881208 FMIKMFZWMYYOBK-UHFFFAOYSA-N 429.498 2.083 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 1642917449 ZLTTWHOKBVTABB-UHFFFAOYSA-N 440.840 2.132 30 10 IEEE CCn1c(=O)nc(O)c2c(C(=O)N3CCc4c(sc(N)c4C#N)C3)cc(C(C)C)nc21 1646250249 CIZLIAIWQRJRSG-UHFFFAOYSA-N 438.513 2.354 30 10 IEEE Cc1nc(O)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1Br 1651221373 YVBMYPDGNBGTSY-UHFFFAOYSA-N 434.246 2.376 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)c(Br)c2F)n1 1655207641 VJXIFUVVFMXFGZ-UHFFFAOYSA-N 448.289 2.394 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)cc1 1667956664 PQVABZIZBTVVNT-WMZOPIPTSA-N 433.534 2.268 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1C(F)(F)F 1671494982 JMOYTJAYYGCYQK-REWJHTLYSA-N 448.442 2.128 30 10 IEEE CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1683590071 LUZMWNWVMGCGMV-OAQYLSRUSA-N 425.577 2.151 30 10 IEEE CN1C[C@@H]2CC[C@@H](NC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)[C@H]2C1 1685722759 PXZICXYTCROAGG-ZOCIIQOWSA-N 425.512 2.037 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCCNC(=O)OCc3ccccc3)CC2)c1C#N 1685732161 MUKZOGMCQFQWJH-UHFFFAOYSA-N 428.518 2.081 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1CCS(=O)(=O)CC1 1690025160 HACFIHRSJSZTDO-UHFFFAOYSA-N 435.553 2.179 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1690319236 GXEZIQZYTZSSNU-QGZVFWFLSA-N 429.521 2.125 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690670977 MTFZZTVBAUBZNV-GOSISDBHSA-N 427.553 2.075 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)nc32)C1 1690685005 TZYYOKCUSQXDHB-QZTJIDSGSA-N 427.553 2.280 30 10 IEEE C=CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690751075 VGHSTOSBFXAJFW-NRFANRHFSA-N 437.610 2.200 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1692661522 DYHZEOARHNVSGZ-SJLPKXTDSA-N 430.578 2.227 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)c1ccccc1 1694352637 DAPREUVRGWTCHW-HXUWFJFHSA-N 439.564 2.452 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)OC 1697758102 VTKMPWRKKDUXEK-WOJBJXKFSA-N 440.548 2.219 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705527404 XFSBRHUOACFHDO-VGOFRKELSA-N 444.557 2.146 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc(Cl)cn1 1705540496 BJKJAUXWALAYHY-UHFFFAOYSA-N 432.315 2.481 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1705575690 TYXIODFNASDBIK-KRWDZBQOSA-N 425.920 2.166 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCC(C)CC1 1705581198 VOVSEFNUUDOQFA-UHFFFAOYSA-N 429.528 2.399 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1705583473 YZMURFAVWIBSDN-JOCHJYFZSA-N 432.572 2.067 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1705887109 OLNHRSXZCSZAGL-ILZDJORESA-N 430.578 2.133 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705888410 WJYZFCHXSSTXKJ-HKUYNNGSSA-N 431.562 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC(C)C)C(C)C 1705900954 VNOYMACAVJQJPC-UHFFFAOYSA-N 437.548 2.365 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCS(=O)(=O)c2ccccc2)C1 1705925092 LCTLROGPFSDHHQ-RTBURBONSA-N 446.573 2.427 30 10 IEEE CCc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709129135 PJJKMNVKTNAUSA-XJUMHSELSA-N 436.516 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn(C2COC2)nn1 1722281182 HRKXGAUKDYLMDZ-ZDUSSCGKSA-N 427.896 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1722385506 HJYWLXFQYJXEJP-LJQANCHMSA-N 436.512 2.482 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1722537763 QKHDRFSIPRRQEO-GOSISDBHSA-N 446.573 2.344 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCn1cccn1 1722545406 CZURPAJBCXSMJB-UHFFFAOYSA-N 449.968 2.281 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722707205 JEGXYJTZQIQAAI-OAQYLSRUSA-N 448.527 2.295 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1722719782 ZTYKNEJXPCEYQM-IAGOWNOFSA-N 426.583 2.167 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722737794 RGUHKQYBNBXQGN-MJGOQNOKSA-N 429.594 2.201 30 10 IEEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CCCO1 1726728763 FAFJFFMQOZGGEL-XXBNENTESA-N 443.596 2.145 30 10 IEEE CC/C=C\Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1727849227 QQFYUCSCWYPUHU-CTEOGUNLSA-N 443.577 2.053 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCO[C@@H]1CCOC1 1729397851 ZVFMGLKRNISGRY-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1730901357 WSXRGZMDQMGTCS-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1740531237 HUXRWTUSEOCMLB-VBKZILBWSA-N 433.965 2.187 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCNc1ccc(C(F)(F)F)cn1 1740598656 YZOQQNQSXFRIJF-UHFFFAOYSA-N 435.454 2.500 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CC1(S(C)(=O)=O)CC1 1740659190 VXQLGOAETOWKFN-UHFFFAOYSA-N 435.553 2.321 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1740676532 FUZICLAZAZNGOA-RBUKOAKNSA-N 446.548 2.386 30 10 IEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740721970 ZDKJPVDXNBCALV-MRXNPFEDSA-N 446.964 2.091 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1740737999 CIQZKTKXAMFKPX-UHFFFAOYSA-N 444.337 2.466 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1740750080 LKSNNTCLUFAHOC-HKUYNNGSSA-N 446.596 2.139 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1740783686 QMMDCTPMLBZXTA-UHFFFAOYSA-N 425.493 2.211 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)[C@H](OC)C1 1740889545 ONIFXAVGTLVVMB-IYBDPMFKSA-N 440.342 2.478 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1740935126 CERHOMXVSXBPGR-IBGZPJMESA-N 440.573 2.197 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1740982354 VDYDHQZXFWCEGB-SIKLNZKXSA-N 431.968 2.370 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccsc1 1741952507 BYFAUQNITNRJSO-UZLBHIALSA-N 449.602 2.279 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1748759971 QYPGECKLBZFXGS-HSZRJFAPSA-N 447.587 2.409 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811129 CCWBCKKQXKRBRS-GOSISDBHSA-N 445.589 2.260 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1748820684 HDGURRWHVOBBKZ-CEXWTWQISA-N 430.578 2.128 30 10 IEEE COc1ccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1748850298 KGQNIQWZQGXDEB-MBOZVWFJSA-N 427.505 2.377 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OCC(F)(F)F)c1 1748888281 RFFGVYAWRDGITJ-MRXNPFEDSA-N 446.433 2.077 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(C)CN(C2CC2)C1=O 1748964302 IPEGBSJPOOZKNG-HSZRJFAPSA-N 425.508 2.105 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 1748979232 XTKFXWMCTAFHFO-VQTJNVASSA-N 436.560 2.069 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749284828 OWCCKNKKLYTMGD-QZTJIDSGSA-N 430.940 2.231 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1749494369 QQDSKNGMUVDGJN-IBGZPJMESA-N 449.577 2.011 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1Br 1749668651 CCHDKROVIIRDSO-OAHLLOKOSA-N 434.338 2.483 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749672611 ZNTNGNGAOSKNMC-USXIJHARSA-N 431.487 2.168 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749681433 AZJSBKOKGOYTMC-XXBNENTESA-N 447.580 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749736316 IFNCTSAPQXNZFG-YLJYHZDGSA-N 448.589 2.340 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1750009540 VJNFLMNIQXOLFN-YLJYHZDGSA-N 428.537 2.040 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCn1cnc2ccccc21 1751193387 BBBPEWJWKWADGX-HZPDHXFCSA-N 444.565 2.067 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC 1760104191 UAOZXMBEAVWYMC-CYBMUJFWSA-N 440.367 2.023 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1760118132 YOKIZUPJRZRUAI-PKOBYXMFSA-N 442.589 2.072 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760157384 NQHNQOKRVDBZNA-HRAATJIYSA-N 429.546 2.067 30 10 IEEE C#CCCCn1c(N2CCC[C@H](CNC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760160016 WGVVUCFPXLWLSF-AUSIDOKSSA-N 431.581 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1760205426 AYSTUPQZUOMVGL-OFNKIYASSA-N 433.556 2.124 30 10 IEEE C=CCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513370 WCXIHJLZHSSXDJ-IERDGZPVSA-N 431.541 2.079 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 1760522248 OVTYQRBRHRRRNG-IBGZPJMESA-N 427.549 2.453 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(OC)cc2C1 1760526755 SJWSILCSBIWLOZ-UHFFFAOYSA-N 435.532 2.013 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1760839830 DGBAJMPEMKZYBU-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE C[C@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCCOC(F)F)C2 1761576908 VAKXCLSYAGLMQF-FQEVSTJZSA-N 432.431 2.477 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1764676474 LKWGFFCUSCNBKT-QRWLVFNGSA-N 435.532 2.377 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1770220852 ODCHJHGBHZMECI-LUYSREMJSA-N 446.596 2.099 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC1OCCO1)C(=O)ON1C(=O)c2ccccc2C1=O 1772788998 LJVYWVHZXFXBKT-OAHLLOKOSA-N 434.445 2.177 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCCc2nc(C#N)ccc21 1849314313 QGEKENUHCUGPFV-QGZVFWFLSA-N 427.530 2.038 30 10 IEEE CS(=O)(=O)[C@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)C1 1850970783 HCLATDIXBXHLHP-KRWDZBQOSA-N 430.505 2.107 30 10 IEEE C#CCOc1ccccc1C(=O)N1CCN(c2nccc(-c3noc(C4CC4)n3)n2)CC1 1851696799 CAGLYFOVDBGSIA-UHFFFAOYSA-N 430.468 2.378 30 10 IEEE CC(=O)N(C)[C@@H](C(=O)N1CCN(c2nccc(C#N)n2)CC1)c1c(F)cccc1Cl 1852385225 WCTDKVMHRHSYRX-GOSISDBHSA-N 430.871 2.009 30 10 IEEE C=CCC1(S(=O)(=O)N(CC(=O)N2CCCc3cc(C)ccc32)Cc2cnnn2C)CC1 1853562913 IWDFLKPTTOTYNU-UHFFFAOYSA-N 443.573 2.343 30 10 IEEE COc1cccc2sc(N3CCN(C[C@@H]4CCC(=O)N(C(=O)CC#N)C4)CC3)nc12 1855913542 VJBLVHXRYDOWOC-HNNXBMFYSA-N 427.530 2.106 30 10 IEEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 1856095711 LZOSJIBWMZDDGX-INIZCTEOSA-N 439.603 2.032 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3c(F)cccc3Cl)C2)C1 1856390448 AQVUMQKYCVKEFA-CYBMUJFWSA-N 428.851 2.498 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3ccc(F)cc3Cl)C2)C1 1856391017 OFYRVTYNUZYFFV-ZDUSSCGKSA-N 428.851 2.498 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccccc2Cl)C1)[C@H]1CCN(C)C1=O 1857096261 JPUHWLWSEBCOFO-AEFFLSMTSA-N 433.936 2.203 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1859012082 ZBEAFTGCRQZETR-UHFFFAOYSA-N 433.442 2.168 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862642632 GVMHBEMCISBXSI-GOSISDBHSA-N 446.387 2.409 30 10 IEEE CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(C#N)cc1 1866637974 IUQIRNHFJXIEEA-GOSISDBHSA-N 428.514 2.264 30 10 IEEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2C[C@H]2CCCO2)c(C#N)c(C)c1C 1870184971 IOUHSSCLOILLBC-QGZVFWFLSA-N 442.541 2.376 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 1890848256 QYDYTQZSEWOIPR-IBGZPJMESA-N 447.601 2.235 30 10 IEEE CC1(C)OB(c2cncc([C@]3(C(=O)O)C[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 1952893999 ZZFSNXRUDHLZGR-FDDCHVKYSA-N 438.289 2.402 30 10 IEEE Cn1nc(CN=C2NC3(CCOCC3)CS2)c(I)c1Cl 2174386217 OHTOTYLVVBKOGZ-UHFFFAOYSA-N 426.711 2.420 30 10 IEEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2235731641 QWDFARPCGQDEEY-HLIPFELVSA-N 439.350 2.433 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237382652 CZHZPGRMZLIPPJ-OAHLLOKOSA-N 439.306 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)CC2)C1 2255866040 NKUKBTZRQSRJKC-SJORKVTESA-N 435.374 2.232 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267003189 LCEVWGNDKZLLFD-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)n1 2267118049 WQEMHSXFGFPQKC-QGZVFWFLSA-N 440.353 2.324 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN2C(=O)OC(C)(C)C)C1 2267127072 GGQDQYTXZZJVNF-UHFFFAOYSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142883 ADMPFWOUIOKCCA-CVEARBPZSA-N 446.357 2.323 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267502800 TXLGFGKKDRXLND-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2267551406 LXGWUNZQAZQLOK-OAHLLOKOSA-N 446.357 2.151 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871745 DPGJNZZNDMTXME-MJGOQNOKSA-N 436.365 2.416 30 10 IEEE N#Cc1c(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)sc2c1CCC2 2286037868 DUSPQWIIXFURQE-OAHLLOKOSA-N 449.510 2.230 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)O 2319266937 NFYQUPNBPPFDFQ-OAHLLOKOSA-N 427.310 2.318 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)n1C 2337270806 PBDVETJOJVEDGQ-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC1(C)OB([C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)OC1(C)C 2368341880 BITRGAGEYQYTEK-LLVKDONJSA-N 427.104 2.467 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472646 NLMIRAMAIUGPSL-VQIMIIECSA-N 443.463 2.419 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccccc2F)C1 256033608 RIIZKBHUXGSCKQ-INWMFGNUSA-N 439.447 2.325 30 10 IEEE O=C(O)[C@@H](CCS)NS(=O)(=O)c1cc(Br)ccc1Br 305907075 CDLLNCNQNZHPGW-MRVPVSSYSA-N 433.143 2.263 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)C2=O)cc1 437852852 RKDPKMCVNRJUAQ-HKBOAZHASA-N 437.544 2.140 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CN4CCN(C(C)=O)CC4)c3)cc2C1=O 444415237 IQYXVDFLVDZLGU-UHFFFAOYSA-N 446.507 2.385 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 460542543 JZMDKBUKIBJDKT-APWZRJJASA-N 449.577 2.393 30 10 IEEE C[C@H](C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 467072261 BDEKAGKYIDQRDR-OAHLLOKOSA-N 435.454 2.058 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CCC(=O)N(C)C)CC1 473206222 WJMAVGVJCPXNPN-INIZCTEOSA-N 431.606 2.312 30 10 IEEE COc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)ccc1C 481028213 YCTSTPKJOBIORF-UHFFFAOYSA-N 431.489 2.302 30 10 IEEE CS(=O)(=O)Nc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1F 482643885 WYBICXSHYDMLCP-UHFFFAOYSA-N 430.505 2.485 30 10 IEEE CCc1nc(C2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)n[nH]1 484712307 KGZUOAPRDHQZMC-QGZVFWFLSA-N 427.578 2.017 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](CCCC#N)c2ccccc2)c1 487422914 XGXVMVSDTQGCRG-HXUWFJFHSA-N 442.541 2.218 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(c4nnc5ccccn45)CC3)C2=O)cc1 487496022 CQXPPPHKYAMOLE-FQEVSTJZSA-N 443.511 2.291 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)cc1 504702290 FRVWXJANQXSEFZ-UHFFFAOYSA-N 431.500 2.282 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(OCCN(C)C)c(OC)c3)cc2C1=O 504842153 IWAUFMGILBYQHB-UHFFFAOYSA-N 437.496 2.348 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 507844972 PMAQMNGOLAJYKD-UHFFFAOYSA-N 436.541 2.097 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(Cc4nnnn4-c4ccccc4)CC3)CC2)c1 510841084 IKICZQSSRZPTCB-UHFFFAOYSA-N 431.475 2.049 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@](CO)(c4ccccc4)C3)C2=O)cc1 513914702 IQJDEGFTGSHUOU-OFVILXPXSA-N 446.507 2.316 30 10 IEEE Cc1ccc(NC(=O)Cn2c(C)nnc2-c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 523499380 KTJOVTPHMWSWHL-UHFFFAOYSA-N 438.513 2.323 30 10 IEEE N#Cc1cccc(CC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)c1 531386712 KDHCWIROCJSMSU-UHFFFAOYSA-N 440.507 2.421 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1 535896444 PJHYDQSJMOWOLL-UHFFFAOYSA-N 437.471 2.018 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 540967038 JPWVJJJGFAHRBK-SJLPKXTDSA-N 429.912 2.063 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2cc(Br)cc(C(=O)O)c2)cc1 546265763 IWZBMAGVLUMFQZ-UHFFFAOYSA-N 425.260 2.376 30 10 IEEE CCn1c(Sc2nc(C)cc(C#N)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 552912066 ACUATOZXZJWOAU-UHFFFAOYSA-N 444.542 2.198 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 563288503 DSFAMNBKBDNABR-MRXNPFEDSA-N 449.577 2.304 30 10 IEEE COC(=O)[C@@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc(C#N)c1 569023799 ZKWIJWSEBZZMMI-NRFANRHFSA-N 427.526 2.488 30 10 IEEE CCOCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccccc2)c1=O 603791403 FLKGHOKREIUBAD-UHFFFAOYSA-N 449.580 2.206 30 10 IEEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717285 IVPONPDOKKUZHQ-OAHLLOKOSA-N 444.492 2.101 30 10 IEEE Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732155449 BJAHBMIWUYVWSU-HNENSFHCSA-N 431.290 2.424 30 10 IEEE Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664030 KGORWJBTYNXHFL-HXUWFJFHSA-N 438.553 2.286 30 10 IEEE CCN(CC)CCOc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 732674306 MCJWCZHYTRTKRO-FQEVSTJZSA-N 429.565 2.298 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccccc3)c2=O)cn1 735069577 WWTSYDVZGXHQCY-UHFFFAOYSA-N 432.549 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCc2nc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)sc2C1 735842546 BBLYVHXIXIQOQJ-WUKNDPDISA-N 447.517 2.291 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC(OCCC(=O)NC)CC2)ccc1OC 752960507 DUXCEPBMRHCWMV-KRWDZBQOSA-N 432.521 2.203 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2ccc(C#N)cc21 757527038 NEWLNDCCZAXBEL-IBGZPJMESA-N 441.509 2.177 30 10 IEEE CCOC(=O)c1ccc2c(c1)n(CN1CCN(c3cccc(C#N)n3)CC1)c(=O)n2CC 760550605 FCRBNRVKQWQYOK-UHFFFAOYSA-N 434.500 2.046 30 10 IEEE COCCCN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1ccnn1C 789969285 YBRVGTMGAXIWSL-UHFFFAOYSA-N 433.559 2.173 30 10 IEEE CCN1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 801670256 CXPUNOHUQPVHCT-JKRPTORDSA-N 435.550 2.022 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](CC(N)=O)C1 802551602 WCPOZDNIEAFDFB-SFHVURJKSA-N 426.521 2.372 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 809886261 VXGJCIHVCONQGE-INIZCTEOSA-N 435.525 2.162 30 10 IEEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2cccc(COc3ccccc3C#N)c2)nn1 811180800 RQJQFOAICRGPQB-TZIWHRDSSA-N 448.435 2.312 30 10 IEEE N#Cc1ncccc1COC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 813169713 YPUMFFWLHFRVPF-UHFFFAOYSA-N 429.376 2.264 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc1O 1084453841 VWIDDSWHCHQQON-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c(F)c1 1130019425 RSYXFTLYZBRMAP-KRWDZBQOSA-N 443.500 2.265 30 10 IEEE CC1(C(=O)NC[C@]23COCCN2C(=O)OC3)CCN(c2ccc(Cl)cc2C#N)CC1 1132714041 GICQYBYUWHRJDK-OAQYLSRUSA-N 432.908 2.156 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 1136630773 YOXMDARSTJGXIB-INIZCTEOSA-N 435.889 2.161 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1142070666 ZEHGRVYDJPANSB-UHFFFAOYSA-N 438.477 2.198 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)C1 1153865211 CZKJWKDOIVQBJW-RLFYNMQTSA-N 430.480 2.444 30 10 IEEE COC[C@]1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCCCN1C(=O)OC(C)(C)C 1154224213 STAJCBPMWVPDFN-QHCPKHFHSA-N 443.548 2.408 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286507695 CMNQGTVKSXECOW-UHFFFAOYSA-N 440.529 2.238 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286562055 PTUYRWSJYOSKHF-IEBWSBKVSA-N 431.562 2.335 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286606327 MMHLNPGBDGTING-KXBFYZLASA-N 445.486 2.352 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnnn2C)C1 1286811276 ATKFRINALMZLLU-SFHVURJKSA-N 429.912 2.469 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1286971309 HULZDTGVYWHWOW-VVBPWWLESA-N 445.568 2.424 30 10 IEEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1291107290 HUYYLQKCBVDLCB-IWQHBPENSA-N 448.637 2.431 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1299404921 ZEUFNNMQWSDCAR-MRXNPFEDSA-N 432.440 2.241 30 10 IEEE COc1ccc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1300158182 NYKIPYNNRSWICI-NFBKMPQASA-N 441.532 2.299 30 10 IEEE C=CC[C@@]1(C(=O)N2CC(N(CCOC)CCOC)C2)CCCN1C(=O)OC(C)(C)C 1300199271 NZDPTKWZFJHSGV-QFIPXVFZSA-N 425.570 2.138 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CS(C)(=O)=O)CC1 1300275855 AYYUCYJWUVAABV-GFCCVEGCSA-N 440.367 2.318 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OCC)CC1 1300391160 HZUADDYFBNMWCU-UHFFFAOYSA-N 445.545 2.041 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300413196 QVCFDNMOXPVARJ-NFBKMPQASA-N 449.603 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(S(C)(=O)=O)CC1 1300511339 HIMQFBGCDMBJFL-UHFFFAOYSA-N 434.468 2.197 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1300603644 VKGUUMYBYYMKDE-QHCPKHFHSA-N 435.532 2.327 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccco1 1300658418 DQJOEQQUTQKUAR-KSFYIVLOSA-N 439.472 2.095 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 1300710137 TVMGEQVVKZWCAH-SFHVURJKSA-N 447.992 2.394 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1300848479 GFASLYFBDYSZSG-MGPQQGTHSA-N 433.372 2.093 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301221673 NFDYQWSJZDGDII-INIZCTEOSA-N 434.566 2.396 30 10 IEEE COCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301571120 FEELOCNZMVVQLS-IBGZPJMESA-N 425.537 2.192 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1302208024 BIFOQSPHROXQGF-UHFFFAOYSA-N 427.505 2.259 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C2CC2)c1 1303835763 DXGUIFBACRVJPJ-VBKZILBWSA-N 432.525 2.256 30 10 IEEE CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1314185212 FCTHKPKOVBCKGY-IERDGZPVSA-N 446.577 2.465 30 10 IEEE CN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1314830510 YEBQIFDUTMCAGW-UHFFFAOYSA-N 444.586 2.496 30 10 IEEE CO[C@@]1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)CCOC1 1315271843 QKVUSLZOCNBFQG-SCLBCKFNSA-N 437.342 2.447 30 10 IEEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)ccc1C#N 1353908651 RQBISQAFAMWYOT-UHFFFAOYSA-N 439.415 2.131 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)OCc3cc(=O)n4ccsc4n3)CC2=O)cc1Cl 1355181599 ALRWOMZILNNNOX-GFCCVEGCSA-N 428.857 2.377 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc3c2NC(=O)CO3)c1 1355668969 LQNBWFBVPVBFHW-QJOMJCCJSA-N 428.470 2.083 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358893332 SBNGIKUAHPDWFR-RBUKOAKNSA-N 431.544 2.390 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCO[C@H](C)C1 1358941748 WMZSUPNIMOTOIT-MSOLQXFVSA-N 445.589 2.470 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCN(CCC)C2)CC1 1359032211 GMLPYLNMFZVSLV-GOSISDBHSA-N 427.984 2.481 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359152939 NYWUNXNPYHAGEE-UHFFFAOYSA-N 428.924 2.450 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2CC)CC1 1359161710 NZMLBVCACXSSSJ-UHFFFAOYSA-N 427.534 2.165 30 10 IEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359224976 ISEFDDIQABWRMI-QGZVFWFLSA-N 426.521 2.102 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1437269089 CNNAYTWHXSQRSW-UHFFFAOYSA-N 425.242 2.291 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)NCCNc2ncccc2C#N)C1 1442332752 CHPUBSGQEULRIO-HNNXBMFYSA-N 425.493 2.243 30 10 IEEE C=CCc1cc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc(OC)c1OC 1455708579 WUUFXQMXGHEELU-SFHVURJKSA-N 433.530 2.168 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1461526122 XIOYSZQQSKLRHP-GOSISDBHSA-N 442.317 2.231 30 10 IEEE C#CCOc1ccccc1CNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1465189006 XIOJXPUUKYQUKQ-SSEXGKCCSA-N 434.558 2.463 30 10 IEEE N#C[C@]1(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CCc2ccccc2C1 1466978004 BJTJSQFIVUJZIA-OFNKIYASSA-N 439.537 2.325 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1nccnc1C(=O)NCc1ccc(F)cc1)C2 1472224738 PYAVSKMVMLOWMX-UHFFFAOYSA-N 436.472 2.260 30 10 IEEE COC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(F)c1Cl 1472320057 DAMLLFWLTOTXRN-SNVBAGLBSA-N 439.852 2.443 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1475506217 DDPKZAWJJMRNPB-AWEZNQCLSA-N 430.452 2.155 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1479060367 LSLLFCJFAIBRNL-AWEZNQCLSA-N 434.345 2.048 30 10 IEEE COc1ccc(CNC(=O)N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1479183442 GHRIQMLNNJIRAC-JOCHJYFZSA-N 430.505 2.488 30 10 IEEE C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCC(F)F)CCO2 1494669875 UBIMDNSVEHJPKH-VFNWGFHPSA-N 433.459 2.483 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1503601982 ALOOGLQBDMKDAF-UHFFFAOYSA-N 443.485 2.058 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(CS(C)(=O)=O)CC1 1507524108 SKWLVEUIAOEOGP-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCOCC2)C1 1507755450 ODONCQYCTBDACZ-UHFFFAOYSA-N 433.603 2.386 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507784989 NRFXJFASCDQSHN-ZFWWWQNUSA-N 439.358 2.121 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCS(=O)(=O)CC 1507802873 DDNZWSHYFNRMBT-UYAOXDASSA-N 433.578 2.116 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1507848525 LKJCKRFRRSYGKH-QZTJIDSGSA-N 434.585 2.251 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCOC2=O)CC1 1507877616 LOFQIMNMBXBEHA-UHFFFAOYSA-N 445.545 2.347 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1507972764 ZDINYMLKCUWTHD-GOSISDBHSA-N 426.521 2.204 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508167597 NVNUJZDZPPJTTM-INIZCTEOSA-N 431.562 2.452 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1509795400 ZJVAZVJJQHZFJV-TXTKFYIRSA-N 448.612 2.414 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)CSCc2ccc(C#N)cc2)CC1 1515162729 RZQJJRUOWCFCKC-UHFFFAOYSA-N 446.573 2.425 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)cc1 1515901980 KULDWBWYBLAZHG-SJORKVTESA-N 439.534 2.114 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)cc(OC)c1OC 1521186274 WBZLNHKGNMLXTH-MPGHIAIKSA-N 449.504 2.323 30 10 IEEE Cc1cc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)ncc1C#N 1523770136 CJIYKZQFSBICRP-UHFFFAOYSA-N 435.456 2.188 30 10 IEEE COc1cc([C@H](C#N)NC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc(OC)c1OC 1528058500 JVCXUEXCJJFUKH-SFHVURJKSA-N 434.452 2.317 30 10 IEEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCC[C@H](OC)C1 1530528229 QTVVRIZJCXDTTQ-ZIFCJYIRSA-N 436.530 2.241 30 10 IEEE CSc1nc(O)c(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1C#N 1536498800 YPAAULCABKJPQX-UHFFFAOYSA-N 428.474 2.293 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 1539126150 SZKAFAHBTMJDOQ-PKOBYXMFSA-N 437.610 2.429 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CC1 1539340834 SZUIQVNQUHKFCH-UHFFFAOYSA-N 429.546 2.184 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(OC)CCOC2)CC1 1539462898 PBCFUFHONJSSKZ-HSZRJFAPSA-N 441.601 2.440 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1539511421 WYZIUNOFNMFHHC-LJQANCHMSA-N 426.590 2.173 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539786148 JLOUEKLKTZKHCV-UHFFFAOYSA-N 444.967 2.433 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539977298 MFWHGTVEJUEUCL-GOSISDBHSA-N 426.521 2.065 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1540523172 XIYJFYDOUFZIIW-GOSISDBHSA-N 441.532 2.018 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1540853559 AJNBGFRQYWSXSJ-HUUCEWRRSA-N 429.550 2.335 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1540905771 ZILDQSGIERHDMA-KRWDZBQOSA-N 435.569 2.139 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1541285125 BRQXEAUFQDDLMT-QGZVFWFLSA-N 435.488 2.101 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc1 1542246223 CFAMAWKIDKYOKR-IBGZPJMESA-N 435.532 2.098 30 10 IEEE C=CCn1cc(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)nn1 1544494831 BUFIMIMBZJTGPB-UHFFFAOYSA-N 434.338 2.500 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CCO1 1546099263 AKHUQHJPVOCOML-ZQMYSKGWSA-N 441.532 2.274 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1546397412 HHHIFVNGKNMQDD-QGZVFWFLSA-N 439.495 2.090 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1547311706 FJVTVNYTHXLEJB-SFHVURJKSA-N 434.504 2.371 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(C)=O)cc1OC 1547949396 DYVUDTTZQGSVDI-OAQYLSRUSA-N 430.484 2.321 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(CO)C2)cn1 1548366386 IUBXPNLJCNJNFI-UZLBHIALSA-N 433.434 2.272 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1555454646 DMYWEWGHNXQBQG-AVRDEDQJSA-N 443.573 2.460 30 10 IEEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555466618 OLHLSUWUWSEHFR-FQEVSTJZSA-N 438.532 2.390 30 10 IEEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1C#N 1559627642 FCHKNKMKBKATTG-JOCHJYFZSA-N 438.528 2.095 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C 1562690107 CTJOZOQTHGWJAK-UHFFFAOYSA-N 430.505 2.208 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)n1 1563241100 PPTPAKCVANEKGV-UHFFFAOYSA-N 431.518 2.065 30 10 IEEE CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564688921 BMNJTGKOWAOTMV-HXUWFJFHSA-N 425.558 2.494 30 10 IEEE CC[C@](O)(CCC(F)(F)F)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564690531 TXBAPVPMXJSXJR-APWZRJJASA-N 426.439 2.442 30 10 IEEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1565261674 VYEBKFVMMOEDCQ-AJMABEAESA-N 444.344 2.374 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)CCO)cc3C)n[nH]2)c1C 1568289035 HVKHMAYCLPOMMX-UHFFFAOYSA-N 443.529 2.403 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)CC1 1585924064 DPASWGWLYQHORG-BJKOFHAPSA-N 430.552 2.285 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1587614069 COBRHGRQOBDJCB-SFHVURJKSA-N 431.544 2.198 30 10 IEEE CN1C[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)N(C(=O)OC(C)(C)C)CC1=O 1587758144 WDLFIJUMKZDRRG-MRXNPFEDSA-N 439.434 2.251 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587773643 QIWOKBMJYNLDCA-NRFANRHFSA-N 449.603 2.200 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC(C)CC1 1588109512 GSDCUSAZVOCPRN-FQEVSTJZSA-N 443.559 2.114 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CC1 1588595226 PXPMKSGKRTVWFU-UHFFFAOYSA-N 431.562 2.082 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCC2)C1 1589068496 CFQDWRJVHDEEEL-KRWDZBQOSA-N 438.619 2.086 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1589096432 CTPWDGURZJDBDC-HXUWFJFHSA-N 438.601 2.470 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@@H](C)C1 1589495540 RXYZRJKFLXLPMK-RZFLPCETSA-N 425.599 2.352 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C)S(C)(=O)=O 1596868533 PTYLUWZQHPJCRI-OAFZBRQQSA-N 431.562 2.500 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1597693725 DLGQISYOPVLRKV-HNNXBMFYSA-N 442.545 2.368 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCc1ccn(C)n1 1609519078 JODKUHXDCAUUGR-QUCCMNQESA-N 432.532 2.136 30 10 IEEE C[C@]1(C#N)CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCO1 1611485013 JRFJFAKSXGBYOV-IBGZPJMESA-N 431.426 2.117 30 10 IEEE Cc1nc(C)c(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1612381091 AVPRWEHAGNFGEQ-UWJYYQICSA-N 446.577 2.364 30 10 IEEE CN1CCN(C(=O)N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)CC1 1616265288 HWTKHIGEODGWRS-UHFFFAOYSA-N 447.539 2.262 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccs1 1618377365 GQNPCLCOGNMZKL-ZDUSSCGKSA-N 448.350 2.474 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CC1 1619938750 DDAWUEFAQJNBQH-UHFFFAOYSA-N 442.474 2.225 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1620324830 GNZLNTDYHZORTI-YGKKUGEXSA-N 444.536 2.050 30 10 IEEE CCS(=O)(=O)C1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1624060970 LIDNLJPWTHSHBO-GOSISDBHSA-N 433.530 2.038 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CCCN1CCCO 1624758161 CCSDCWSKIRGPPB-CTNGQTDRSA-N 442.560 2.356 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1627251809 VKKDGXGPOBCQSW-XBVQOTNRSA-N 427.467 2.129 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)C2)C1 1627747266 SKSFPVVHZRSSKA-CELYABABSA-N 430.509 2.059 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)C2)nc1 1638906441 SLEQNWIQSIJWHJ-AUMHUTNHSA-N 440.525 2.325 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 1640923874 BWQSPXZNPHMWEB-UHFFFAOYSA-N 445.541 2.139 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642903598 UUPGRFHOPWBWMQ-UHFFFAOYSA-N 442.495 2.418 30 10 IEEE Cc1cc(F)c(C#N)cc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1644078605 OYQZOOKFPNWFNA-AWEZNQCLSA-N 425.482 2.369 30 10 IEEE C=CCNc1ncc(C(=O)N2CCC[C@H](n3nncc3I)C2)s1 1644374202 GUFVQCJQFZSKGQ-JTQLQIEISA-N 444.302 2.414 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccc(CO)cc3)nnc12 1648859895 VBSTTWTZWVPTPY-UHFFFAOYSA-N 435.509 2.131 30 10 IEEE Cc1ccc(S(=O)(=O)c2ccc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)cc1 1656344104 SHPNVFMDCFGJAX-GHTZIAJQSA-N 430.551 2.198 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OCC 1665797115 NGUGSSVUQYPRCQ-ZDUSSCGKSA-N 429.438 2.156 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NCCN3C(=O)COc4ccccc43)CC2)c1 1671831282 FKQGLIDIODKNGI-UHFFFAOYSA-N 433.512 2.247 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C1CCOCC1 1674591308 SUOMWSQPDPXUKT-NRFANRHFSA-N 433.574 2.254 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 1682955333 DSGMMOLJGCHVKR-UHFFFAOYSA-N 448.296 2.153 30 10 IEEE C#CCN(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1683776902 XQEQFBWBODEZHR-PGRDOPGGSA-N 434.558 2.118 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1685561122 FGJJMYMHHOCVFK-QAPCUYQASA-N 441.532 2.481 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCCOC)c1 1689851642 TXADZVFJZIXLHC-IEBWSBKVSA-N 446.573 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(=O)NCC)cc1 1689868584 LGUIYNJQFBGOOJ-VDGAXYAQSA-N 425.533 2.258 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1689892222 AVBUUAOLQDKBIP-KRWDZBQOSA-N 432.550 2.059 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689914868 HOYRZEPUJSIQLP-IBGZPJMESA-N 433.516 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1OC 1690013693 YXGJDNVZMDNELD-UHFFFAOYSA-N 448.552 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ncn(C)n1 1690026496 BLJWMIKUIQBTFY-UHFFFAOYSA-N 430.299 2.414 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)CC2CC2)CC1 1690114917 LNUWLTDLQJIAMM-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)C2CC2)CC1 1690133858 WMSNXDXIAFCQMA-QFIPXVFZSA-N 429.952 2.427 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1690300729 IXABXQFZCJVZKM-HKUYNNGSSA-N 449.577 2.059 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1690465144 STUQEVPJWRWGPT-NHCUHLMSSA-N 438.576 2.487 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690508747 OREKDSAIOUVPQQ-GOSISDBHSA-N 432.594 2.462 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1690715826 VVIMRWLMCSKHON-QGZVFWFLSA-N 442.488 2.367 30 10 IEEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 1694476508 CBJBIZQOLZSRAW-INIZCTEOSA-N 428.562 2.477 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1695509162 YUNDREJBNKDSMG-LPHOPBHVSA-N 426.521 2.068 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1696689004 CCOIFEHJYDVHAG-HXUWFJFHSA-N 436.541 2.207 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1696982441 PYKPYHRPMWIHRL-SFHVURJKSA-N 438.532 2.322 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1c(C)noc1C 1705490100 BZTHEXIEBOJBRN-AWEZNQCLSA-N 431.500 2.497 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1705570027 JSZNDJSKAGNIQI-RTBURBONSA-N 448.564 2.450 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1705630151 IENWIMSPZQQPKM-HXUWFJFHSA-N 445.527 2.274 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705728953 FGBUBKGVPPAQMA-SFHVURJKSA-N 430.557 2.059 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1705844204 XTFSBEFBLFLFJK-CVEARBPZSA-N 447.552 2.449 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1705880338 BWAAWKGZVBMQPO-QGZVFWFLSA-N 444.561 2.332 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705891220 JTJRACRWZABQDV-CQSZACIVSA-N 425.505 2.099 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CCN(C)C)CC2)C1 1705924311 BWUAVOIAELZJRG-VXKWHMMOSA-N 446.640 2.227 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCN(C)C1 1706068255 HFNVEFIZZXTXQD-AUUYWEPGSA-N 433.354 2.370 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1706441594 FZPMTVHWYAAKQR-NRFANRHFSA-N 431.562 2.239 30 10 IEEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1707785739 PULONPQERQBFQF-LJQANCHMSA-N 445.593 2.296 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)on1 1707948978 CFGDQLWFKNJZME-UHFFFAOYSA-N 437.504 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1722295905 WNLMHTFTUMSEKC-RBUKOAKNSA-N 448.612 2.429 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1722305914 WOLRAFVZEJAONQ-SFHVURJKSA-N 443.573 2.283 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722459142 CZGDYFGPFUWOKX-FQEVSTJZSA-N 443.621 2.332 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722481805 AYACMMAVZUOKDV-LSDHHAIUSA-N 447.399 2.484 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)CC1 1722509121 LSHXQRHINWYSCS-RBBKRZOGSA-N 426.565 2.014 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCSC1 1722654765 VELFGOUQPMKCMC-JOCHJYFZSA-N 440.573 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)c1nccs1 1722697037 HFQSHXXJEFXLDN-CYBMUJFWSA-N 443.533 2.004 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1740542502 WORXRTNBSIZRCK-MOPGFXCFSA-N 440.592 2.446 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740622403 CNHQFRDQPVEECO-QUCCMNQESA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1740625096 NUYJABVXDYBQHF-KRWDZBQOSA-N 427.530 2.150 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740744454 UDTFRDDGYOYMGN-OWCLPIDISA-N 427.343 2.465 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC)cc2)C1 1740979403 DUWRAJKFYCBPSS-WOJBJXKFSA-N 425.533 2.361 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1741002328 HKYYBDIIECYUTC-OAHLLOKOSA-N 449.606 2.408 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741491514 CLHMKCOJMQOSIS-XZHYIPMRSA-N 428.537 2.181 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1746434901 CVKBDSRGTLPMGM-LJQANCHMSA-N 447.591 2.213 30 10 IEEE CCOC1CC(O)(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1746954648 AZRQLUFRCTUWDM-UHFFFAOYSA-N 440.548 2.332 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@](C)(O)c1ccccc1 1747186037 DLLLEULORBBKTI-DEOSSOPVSA-N 447.543 2.316 30 10 IEEE CN(Cc1ccco1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747760455 GSWZNUYMIACDEQ-MRCUWXFGSA-N 433.472 2.020 30 10 IEEE CNS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1748290760 FBWRUQDPICWNNU-KBPBESRZSA-N 440.957 2.359 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@@H]2C)c1 1748577952 BDOPSOOREGZNRL-JXFKEZNVSA-N 426.521 2.175 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748801682 DKKGQEQMOMXGGE-SFHVURJKSA-N 449.621 2.404 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1748821913 WDEWWYGSRZYIEL-GOSISDBHSA-N 440.525 2.434 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccc1F 1748826664 XIXFSRYTRQFKMR-INIZCTEOSA-N 431.537 2.078 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1748843294 AFKLOZCHDLKDTB-LQWHRVPQSA-N 436.585 2.447 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(NC(C)=O)c1 1748867319 FRBZKSRFNHBZEC-DEOSSOPVSA-N 435.528 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1749006008 FIDFNLZEIZSPNP-UHFFFAOYSA-N 439.523 2.420 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1749676654 YHVDQNVTQGZOAK-UHFFFAOYSA-N 448.556 2.450 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749751090 KWDOUYUNWXZUNX-IBGZPJMESA-N 441.605 2.002 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1749954460 PMHRSGNYUQGJHC-IERDGZPVSA-N 440.483 2.073 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2CCCCCCO)cc1 1750384954 WJNBYFZRSKZJNI-HSZRJFAPSA-N 441.532 2.277 30 10 IEEE C[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752062204 KWGJQEUYZYNRQA-SSMANRBRSA-N 435.532 2.415 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752657273 JTVQCNCRUCSRBC-OFKYBRGHSA-N 428.537 2.322 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1760189781 WSGMRAUKVHBUOJ-IRXDYDNUSA-N 426.608 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCOC 1760217836 NZQSMZCDAUFVHX-HXUWFJFHSA-N 435.528 2.074 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1760232954 GSFKYTPVINBJDM-INIZCTEOSA-N 438.500 2.484 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)c(F)c1 1760248336 IXHPSMRKMHTHPB-HNNXBMFYSA-N 437.422 2.104 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760523605 CPPAGYPSDRYFDX-PMACEKPBSA-N 443.640 2.233 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760534139 ZBLQFOMOPBONDG-MJGOQNOKSA-N 425.533 2.452 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1761363334 LZMJLZJYZQJODH-HOCLYGCPSA-N 445.545 2.474 30 10 IEEE Cc1nnc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)s1 1762479423 AUIDFEDQQZBRDD-UHFFFAOYSA-N 437.533 2.458 30 10 IEEE CCN1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1 1765412301 WQUQJTIYHZYOSR-GOEBONIOSA-N 448.369 2.117 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1768267345 AIBZYHXQGWOKIY-UHFFFAOYSA-N 448.568 2.420 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1768659499 DHMFAGSHGKGZPC-RBUKOAKNSA-N 427.530 2.033 30 10 IEEE COc1cccc([C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)c1 1768767839 DDONIXGLFCKCIZ-SIKLNZKXSA-N 436.495 2.489 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccccn1 1768998769 XETFOLGCRUHEPJ-INIZCTEOSA-N 442.321 2.413 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1(C)C 1769113499 LMUKQHHYPRAWOD-GCJKJVERSA-N 443.573 2.458 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769287219 YZPGUHPVWIKTRB-DLBZAZTESA-N 446.502 2.494 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1C[C@H](C)O[C@H](C)C1 1770177034 DJKNXOYKVAZTQT-KNJMJIDISA-N 434.585 2.097 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1772566482 RTSIHPZUUSNEJN-GOSISDBHSA-N 444.605 2.419 30 10 IEEE Cn1cnc2c1CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772794269 GALUVGCOFFUZQF-MRXNPFEDSA-N 426.429 2.009 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(F)F 1772842530 KTHKQAKEPSUMCD-CQSZACIVSA-N 445.474 2.460 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)[C@H]1c1cccc(F)c1 1850411314 ISOOKMXDPWKZTB-RBBKRZOGSA-N 440.519 2.346 30 10 IEEE N#CC1CCN(CCNC(=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)CC1 1850430198 ANLFXSCOHJHKSX-IBGZPJMESA-N 440.466 2.310 30 10 IEEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)[C@@H]1CCS(=O)(=O)C1 1851256609 ACDKOKSSLSMYMI-CYBMUJFWSA-N 426.420 2.278 30 10 IEEE N#Cc1cnc(C(=O)OC[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(Cl)c1 1851769144 YTDDLTJNVIFRBW-KRWDZBQOSA-N 433.917 2.105 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 1852480529 YRSJWODNYQVBQX-UHFFFAOYSA-N 435.406 2.493 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCC(=O)N(C4CC4)[C@H]3c3ccccc3)CC2)n1 1853232585 FCROCFPQJJTTQD-IRLDBZIGSA-N 430.512 2.139 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C1CC2(COC2)C1 1854487477 JJDKSVKOCLBKOK-UHFFFAOYSA-N 430.526 2.282 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1 1858961796 PPFNKCBJTUKCRF-UHFFFAOYSA-N 434.470 2.235 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1 1858994984 SFUXJHPOOUAUAA-UHFFFAOYSA-N 449.492 2.436 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCCN(C)C)=C(N)Oc2c1c(C)nn2C 1864316160 FKLACSBZNRFXCU-FQEVSTJZSA-N 439.560 2.446 30 10 IEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1cccc(Cl)n1 1870109727 GJTXNNNKNKIDNO-UHFFFAOYSA-N 441.791 2.273 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCC(C)CC2)nc1C 1872679127 ZHKBHIGRKMISES-UHFFFAOYSA-N 449.489 2.067 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873561688 VRUUBHSFHYMSEM-UHFFFAOYSA-N 438.507 2.147 30 10 IEEE N#C[C@H]1CCCN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2174784157 KVXRBSDPTBYLTP-YSTOQKLRSA-N 432.546 2.246 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227490429 HODZGRVCAPXXDR-YJBOKZPZSA-N 443.363 2.210 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2247962488 OCHHHXQYJJEAAJ-QWHCGFSZSA-N 440.293 2.035 30 10 IEEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248404263 LLHPZXLCVJANSI-AAEUAGOBSA-N 441.359 2.309 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254747565 DPNOOFAAEKZWAC-SJORKVTESA-N 433.358 2.309 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCOc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2255340091 KKLBXMUMAUBFLC-UHFFFAOYSA-N 433.358 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255603688 HKEBVXIAAHLIJR-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255632739 QSXQJTABSVYHST-LSDHHAIUSA-N 434.346 2.227 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C 2257494166 INJLKKUKAKQEQF-MRXNPFEDSA-N 431.342 2.428 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1 2267009529 MUTVKCHGOCBZOZ-AWEZNQCLSA-N 448.325 2.275 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267093552 VSJXDQPYHQVQAY-HIFRSBDPSA-N 448.373 2.378 30 10 IEEE Cn1cc(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127940 MPKVUJYDCWAGQO-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)n1 2267154736 KSFGHMJONOYKDS-GJZGRUSLSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267265062 AGRODEGLHPZRKR-HOTGVXAUSA-N 443.353 2.320 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267512901 RIEQIXOARBZTTL-ZIAGYGMSSA-N 448.373 2.330 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267513627 PRABVGDPXXTLNQ-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCC[C@@H]2NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2267562676 FWGMLAJEIDWVMN-ROUUACIJSA-N 447.385 2.211 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271393055 HDXVUQDRQNQYAH-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339577 FYYNRCQQHOMAFH-GXTWGEPZSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(Nc1cc(Br)ccc1C#N)C(=O)O 2347978016 LKBZGWAEHJZRRI-SUMWQHHRSA-N 426.267 2.480 30 10 IEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)N2CCC[C@@H](C)C2)n1 14160354 JYHTZIRPRVVELC-MRXNPFEDSA-N 433.626 2.190 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1C 20292336 QNHNLBDHSWDKIB-ZVBGSRNCSA-N 427.490 2.197 30 10 IEEE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N\N=C3/NC(=O)[C@H](CC(=O)O)S3)cc2)cc1 33430609 LGDWOCJCCPBIOK-VBNMEBLOSA-N 447.494 2.159 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)n(C[C@H]2CCCO2)c1C 35343706 BZPVZDVNLLTICW-QGZVFWFLSA-N 448.527 2.463 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 110026482 FHMHZEGWRZEEQK-SFTDATJTSA-N 434.606 2.380 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 472671346 NLUAHYOYDCPOJO-UHFFFAOYSA-N 431.489 2.299 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC1 472849647 LSGSQUQZAQTVGS-UHFFFAOYSA-N 428.468 2.205 30 10 IEEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481261207 UTIBKFDNWRROGA-SJORKVTESA-N 443.525 2.063 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3csc(N4CCCC4)n3)C2=O)cc1 487481095 HTBGOZFZUQZBCN-LJQANCHMSA-N 438.557 2.258 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(S(=O)(=O)CCO)cc3)cc2)nc1 508751677 AZMZIRUEZZZBJY-UHFFFAOYSA-N 437.477 2.442 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 508798577 UYWLELYXISRHEJ-UHFFFAOYSA-N 425.533 2.161 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H]1c1cccnc1 510791377 FPHYPJLOBZXLLC-UNMCSNQZSA-N 431.496 2.350 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cc1 511087670 ZYMBVANEEKJXHE-UHFFFAOYSA-N 442.544 2.361 30 10 IEEE C=CCc1cc(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc(OC)c1O 513435029 PKTMKQPKYARRNQ-UHFFFAOYSA-N 431.558 2.360 30 10 IEEE C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 517754498 ZMVWFXAFNJCDAP-GJZGRUSLSA-N 446.495 2.049 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1[C@@H](C)c1ccccc1 518719996 CKYXDAMLPCURDT-KRWDZBQOSA-N 447.560 2.394 30 10 IEEE Cc1csc2ncc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)c(=O)n12 537341677 DNRGAQJIUHXOHS-HNNXBMFYSA-N 425.495 2.090 30 10 IEEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2)c2ccccc2c1=O 558926064 KKMURQUXGWKRQP-GOSISDBHSA-N 441.495 2.452 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cc1 568284103 ROTAEZYWTYUFEW-OAHLLOKOSA-N 430.534 2.277 30 10 IEEE CN(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 574707085 KDDSPNLJOAIRNF-GOSISDBHSA-N 438.532 2.070 30 10 IEEE CC(C)c1nc([C@@H]2COCCN2CC#CCN2CCOC[C@H]2c2noc(C(C)C)n2)no1 581839501 JVRNDHIIIZNEHX-ROUUACIJSA-N 444.536 2.150 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 604180548 IYFNEGQEBXQBBS-INIZCTEOSA-N 437.382 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)nc2)CC1 734976414 XTXHDKQXCQGZCN-UHFFFAOYSA-N 444.517 2.206 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C(=O)OCC)c2ccccc2)ccc1F 742109267 HWILVXPJTMNJEJ-QGZVFWFLSA-N 434.489 2.367 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(Cc3ccccc3)c2=O)c[nH]1 753358443 NDTLHPFKYWNKAE-UHFFFAOYSA-N 449.532 2.191 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Oc3ccc([C@@]4(CC)NC(=O)NC4=O)cc3)cc2C1=O 755358021 YDPXYEAFJCJLRB-HSZRJFAPSA-N 433.420 2.133 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)cn1 758115619 GTUPCRWRJCKMBP-GOSISDBHSA-N 440.569 2.129 30 10 IEEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1 765546601 YPZHRBJUMZWQMS-IBGZPJMESA-N 442.589 2.182 30 10 IEEE Cc1cccc(C2(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c1C 765663014 YYAMMBOOKYEKAS-SFHVURJKSA-N 441.553 2.352 30 10 IEEE Cc1ccc(-c2noc(COC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)n2)cc1 767677403 RWOJCQXXXUXSOM-AWEZNQCLSA-N 426.454 2.327 30 10 IEEE C=CCOCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 780045949 GPSYZIVQEDTRKF-MSOLQXFVSA-N 438.569 2.126 30 10 IEEE COC(=O)c1cccc(COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)c1C#N 780254111 GLMIABKCCNHRCM-HSZRJFAPSA-N 438.436 2.474 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCCn2ccnn2)C1=O)Nc1cnccn1 784125522 JHPZVWCXCKJWBS-INIZCTEOSA-N 436.501 2.119 30 10 IEEE CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784971422 CEIAZBAMKHUAPD-CULCSUMMSA-N 432.546 2.253 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)[C@@H]1CCCO1 786817212 SRLTYJPQRADWCF-WMZOPIPTSA-N 440.327 2.407 30 10 IEEE COCCOc1ccccc1C=Nn1c(-c2cnn(C)n2)csc1=N[C@H](C)COC 789968857 QTEFSGNTLLKASM-OAHLLOKOSA-N 430.534 2.188 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)C1 790486055 GAPIUWGJDMQWTP-RLFYNMQTSA-N 438.475 2.174 30 10 IEEE CC(C)=CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 790708722 KLOATKHPFDBIQX-SFHVURJKSA-N 445.589 2.141 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@H]2CC[C@H]2C)cn1 795182093 GXYDLONOULSUGE-HYVNUMGLSA-N 433.578 2.278 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)sc2c1CCCC2 798746611 XDOQEUOUYVENPO-RYUDHWBXSA-N 445.501 2.398 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)=NO1 798997731 MDQVONJDPZPXKI-JCYILVPMSA-N 443.504 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 802327243 YSWSXSSUAWVRCB-ZSVKVYQISA-N 432.521 2.153 30 10 IEEE COCCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 802489037 XHTRZSOEBMSEBY-HXUWFJFHSA-N 431.500 2.194 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 806097517 RWRGQQFUGLRHJT-IBGZPJMESA-N 427.526 2.464 30 10 IEEE COCCn1cc(C=Nn2c(-c3cccc(OC)n3)csc2=N[C@H](C)COC)cn1 811626146 CLAKTSRZRBOSQT-OAHLLOKOSA-N 430.534 2.281 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@@H]1CCCO1 812263586 ATEGJFFYBXFJEQ-IBGZPJMESA-N 443.573 2.368 30 10 IEEE CCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)s1 1083888372 YMPAESJSERWUHS-UHFFFAOYSA-N 438.568 2.069 30 10 IEEE C=CCn1nc(C)c(C=NNc2nc(SCCC(=O)Nc3nncs3)n[nH]2)c1C 1084232449 AFYTTYIDIDEDRL-UHFFFAOYSA-N 432.539 2.222 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCc1ccc(Cl)cc1 1084612539 UOIUCITYPJTOEQ-UHFFFAOYSA-N 431.909 2.205 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc3c(c2)CCC3)c1=O 1116388688 XPFREAYPXQECJU-UHFFFAOYSA-N 440.524 2.426 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(N)=O)cc2)cc1 1125203076 UCSGTYDSCWEOPQ-CLCOLTQESA-N 428.514 2.170 30 10 IEEE COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)sc2c1CCOC2 1130080396 WJDIWAAUYDNWNR-UHFFFAOYSA-N 449.510 2.052 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)cc1 1141821114 JBPPCOVNSMZKEE-VUSLFOADSA-N 430.534 2.242 30 10 IEEE CC(C)C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1142686721 HJGWTODQTAVRHI-WBVHZDCISA-N 437.562 2.345 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H](O)[C@@H](C)O)nnc1-c1ccc(Cl)cc1Cl 1149551467 OGMQLBSJRARGHO-QMTHXVAHSA-N 431.345 2.388 30 10 IEEE Cn1cc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCO2)cn1 1159682556 IFDZDSLXGVPEEH-OGWOLHLISA-N 427.892 2.335 30 10 IEEE C#CCCCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OCC)CCOC1 1286357408 JEQAFWYECBDVDT-AUSIDOKSSA-N 439.564 2.239 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2ccnc2C)nc1 1286377685 CBZNEEMIMXROCF-UHFFFAOYSA-N 446.540 2.276 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)C1CC1 1286397417 NQGYXOVLKGSNSY-PXNSSMCTSA-N 425.558 2.155 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286449445 XWIUUUMDELEREC-LJQANCHMSA-N 428.606 2.333 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCO[C@H]1CCOC1 1286456284 PSHKMBZGJUHLRO-VQTJNVASSA-N 441.507 2.204 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC[C@@H](C)C2)CC1 1286481634 ICMHFWGOABEPCD-GOSISDBHSA-N 427.622 2.121 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2CC2)CC1 1286488623 PFDOXUKOELSGCO-HSZRJFAPSA-N 429.565 2.085 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286506989 AABDJFSQUMJJLG-FQEVSTJZSA-N 438.601 2.373 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1286547690 POYOAHHWRHQCBN-ROUUACIJSA-N 435.569 2.233 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1286584191 YMOBPICCHGRFQO-UHFFFAOYSA-N 428.512 2.372 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286606830 CJWWYTRLYWISHF-SFHVURJKSA-N 435.532 2.390 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286700302 ZCXNSKGMQHLCNS-NRSPTQNISA-N 430.597 2.127 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)NC 1286749346 PZFDCHLAJCUCEZ-INIZCTEOSA-N 425.580 2.323 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2csc(C)n2)nnc1[C@]1(OCC)CCOC1 1286793171 UQHKGJXGNDILOG-UTKZUKDTSA-N 446.577 2.339 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(CC)Cc1nc(O)c2sccc2n1 1286821103 AJHDKCACBRWUNU-UHFFFAOYSA-N 436.563 2.178 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)N(C)C 1288614165 AMRFUTHWXDGWAI-GAJHUEQPSA-N 434.548 2.252 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCC(C)(F)F 1291194715 CGHABUJLTMHNNF-HUUCEWRRSA-N 432.479 2.204 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1291828467 OZMJEXRUOBISMJ-AEFFLSMTSA-N 426.521 2.259 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1 1298665827 FDKFUOCKZPNLMA-IBGZPJMESA-N 436.493 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCNS(C)(=O)=O 1300287308 YETMIJQAHVHIFA-INIZCTEOSA-N 443.529 2.124 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1300365340 UUBBAYMTUNYFKE-FQEVSTJZSA-N 425.581 2.258 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC1CCN(CCN(C)C)CC1 1300633128 DABVYKNMCZWSGO-UHFFFAOYSA-N 429.638 2.367 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1300664053 LRTSGCHBPZGBTE-QGZVFWFLSA-N 445.568 2.268 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)O 1300665532 KUDQVRWWSKZKOB-QGZVFWFLSA-N 435.569 2.250 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300751648 NLBWUKJTWYCBHU-MRXNPFEDSA-N 448.570 2.054 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C#N)o2)CCO1 1301360619 SUPMSEYQHSNVEX-HXUWFJFHSA-N 439.472 2.327 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1301497641 ZOIDVTSJFOHCLG-IAGOWNOFSA-N 449.559 2.459 30 10 IEEE COC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1315801883 BOXPHHWDQVKDSR-SFHVURJKSA-N 427.553 2.121 30 10 IEEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1316359721 ZHFGOOSMVLUZKH-UHFFFAOYSA-N 444.561 2.014 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1358872098 OMTIYKNPRHPWJF-UONOGXRCSA-N 432.525 2.209 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1358885405 JNWMTXSQEISWLN-CQSZACIVSA-N 430.516 2.049 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1358909587 KQOBINPCMWWCGH-UHFFFAOYSA-N 429.532 2.384 30 10 IEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(=O)NC)C1 1358923218 GLFONRNFAUOPEL-GFCCVEGCSA-N 438.351 2.134 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358964679 DQJZQFPCWBKKTR-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@](C)(O)C(C)C)CC1 1359047286 ZNFVVPFPYFQDFX-VWLOTQADSA-N 437.588 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)[C@H](C)CCC 1359065106 IPXHMNCVVLQZPM-SXSPYAJSSA-N 431.581 2.475 30 10 IEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H](C)CC(N)=O 1359087329 AZPYUMUKBREOGM-CYBMUJFWSA-N 438.326 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1359106536 HLRJJEVGBXWXEF-QIJZPMMNSA-N 447.580 2.042 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359150647 CXRHTBDHMXCPFM-CHWSQXEVSA-N 441.907 2.006 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359298376 XQCWFBAQOREZFD-OAHLLOKOSA-N 439.907 2.348 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359302874 WMVCKLAJMXKUIE-INIZCTEOSA-N 425.562 2.035 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1359307793 VKWVAHQQQUCNGV-AEFFLSMTSA-N 434.562 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC)C1 1359329740 SIHSACZXYDPXTC-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1359330932 HHOWEDQXZRUEDH-GJZGRUSLSA-N 442.545 2.287 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1359930425 HSTQYRXAMADFQL-OAQYLSRUSA-N 437.610 2.327 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(CCc3ccncc3)n2)s1 1442600138 WPOJGTBMLJJDKS-UHFFFAOYSA-N 431.543 2.228 30 10 IEEE C#CCOc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 1443947638 RINLBFATHSXHHP-MNEFBYGVSA-N 448.541 2.307 30 10 IEEE C=C(C)CONC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1452773482 HIVPDSYPNFZUCP-CXAGYDPISA-N 445.969 2.359 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC(=O)NOC)c1 1463162114 NJQSXBMOKCKGHM-UHFFFAOYSA-N 437.905 2.129 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(OC)c(OC)cc2I)CC1 1471938373 LDGZVMITMJRWRY-UHFFFAOYSA-N 428.270 2.136 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)n[nH]2)c1C 1472442127 TYFHRQCIDYPAEE-MAUKXSAKSA-N 444.536 2.034 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc(Cl)cc3cccnc23)c1=O 1473069013 AAGASQPXYTYQLD-UHFFFAOYSA-N 426.860 2.473 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)s1 1492765764 QSISIICSOZWLKX-NRFANRHFSA-N 436.545 2.311 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@@H]2C)cc1 1504304805 GGSFBWSPSROCKF-ROUUACIJSA-N 428.537 2.182 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCSCCCO)cc1 1505315498 MZMTWXHGWDPREN-DLBZAZTESA-N 429.502 2.046 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1507515194 GKMQRJFIVNIQOP-HOTGVXAUSA-N 428.562 2.379 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)CN1CCOCC1 1507522723 XRSGRXNCGQRQTD-ZWKOTPCHSA-N 427.549 2.389 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1507582132 CFDUBZZZSLZVRD-KRWDZBQOSA-N 449.559 2.468 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCSC 1507644431 HWGPWMLDJXFYMV-UHFFFAOYSA-N 431.587 2.021 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(n1)CCCC2 1507704361 YQXZFHKLAZHFIG-XMMPIXPASA-N 439.560 2.338 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1507821191 WDFIXZPFNNLXOE-QFBILLFUSA-N 443.639 2.299 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CCCCC2)CC1 1507879030 CLMFHYPLXBHFOR-UZLBHIALSA-N 425.599 2.376 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nnn(C)n1 1508039133 YNCPUOMVHAPAED-UHFFFAOYSA-N 447.341 2.227 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508084838 PXCWTEMTCFMMLG-HXUWFJFHSA-N 445.571 2.277 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1508118031 QIGYMOMDHLZWIR-FGZHOGPDSA-N 436.560 2.445 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2=CCCOC2)c1 1519513711 YEOCZNYWTNLJLI-FQEVSTJZSA-N 431.493 2.137 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1528683653 VXSSLAXIXQNJHG-HNNXBMFYSA-N 443.305 2.102 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)CC[C@@H](C(=O)OC)C4)cc2C1=O 1529174866 IEBDDYXOIUDYGF-GFCCVEGCSA-N 425.466 2.455 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCNS(C)(=O)=O 1539195289 TUUBIQIWCIXGAN-UHFFFAOYSA-N 446.360 2.173 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539985245 HUZADPCOAFVXOH-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1)C1CC1 1540111318 GQIJVYYAIQRPSK-UHFFFAOYSA-N 426.540 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1540904887 OZISCOWCOXJJEW-UYAOXDASSA-N 445.589 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1540907349 SZQJDDROFRDQMM-HKUYNNGSSA-N 432.546 2.134 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540919581 SNHJTWDAXYOPQA-KRWDZBQOSA-N 425.624 2.154 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1541233547 MWMNXZIGYCNCCT-UGDMGKLASA-N 440.573 2.080 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1([S@@](C)=O)CCC1 1541470055 BRCURGBWFVTXOB-WJOKGBTCSA-N 441.605 2.371 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2N2CCN(C)CC2)c1 1543184868 HYYXULQSMZTEKV-UHFFFAOYSA-N 425.554 2.165 30 10 IEEE Cn1ncc(Br)c1CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1544217713 JNKAGNNZJOSKKV-UHFFFAOYSA-N 425.308 2.190 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1546855528 WPUXXHUGNARZJL-XMSQKQJNSA-N 425.537 2.274 30 10 IEEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCCn1cnnn1 1548148075 LKYQOAXPXNJBGH-HXUWFJFHSA-N 435.536 2.222 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1CCCCO1 1548174618 GEWUFUHDUJEDAL-IBGZPJMESA-N 425.537 2.367 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCC2)CC1 1552739544 MEDQRDBXSZLCSE-IBGZPJMESA-N 433.560 2.383 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1554247278 ZHGOTHRFCRPTIO-UHFFFAOYSA-N 436.520 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3cc4ccccc4n3CC#N)CC2=O)C1 1558694368 OTCGFGCCFMXSPU-INIZCTEOSA-N 437.500 2.115 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@@]2(CO)COC[C@@H]3CCCN32)cc1OC 1560623394 WAGWULZHSIFYDC-OXJNMPFZSA-N 441.366 2.338 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1588219662 XYKWPPZKCGGJBT-FQEVSTJZSA-N 429.528 2.397 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1589089806 YJWITHKTGNMUEO-IBGZPJMESA-N 439.585 2.445 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1589404031 GEDCSQIBZBFXOQ-KRWDZBQOSA-N 440.386 2.239 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1594802494 ADSMAPGGWVFZDF-UHFFFAOYSA-N 426.565 2.481 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1CC 1594943297 NJWQLIGXEXUFBI-UHFFFAOYSA-N 433.520 2.347 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC=CCO1 1595142185 OHSGASWMLLCTJX-HZPDHXFCSA-N 437.591 2.488 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCSC1 1597131882 OBUIGBKUJPGGIE-OAQYLSRUSA-N 427.578 2.037 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 1603205427 OWWIFHHIQGBFAI-IBGZPJMESA-N 427.298 2.056 30 10 IEEE Cc1c(S(N)(=O)=O)sc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1Cl 1610993340 APUQMEDGAZYRFM-UHFFFAOYSA-N 442.925 2.331 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3F)C2=O)c1 1613479069 JIADZADGHHETOO-OAQYLSRUSA-N 426.379 2.061 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)C[C@H]1C 1615871632 DGZRBCWSYPYWTL-OAHLLOKOSA-N 438.561 2.467 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)c2)c1 1623806965 OSFWJQQBEBLANY-OAQYLSRUSA-N 449.507 2.218 30 10 IEEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1629962591 JXUHARGBDLAJRW-SFHVURJKSA-N 430.501 2.243 30 10 IEEE COc1ccc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(OC)n1 1635850733 AZXOSMHWONMGQP-UHFFFAOYSA-N 447.499 2.392 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1635933622 OMJKXTCQBRDLHT-CVEARBPZSA-N 425.489 2.288 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)c1 1636394281 XIYRGPKHFWRLSJ-IPMKNSEASA-N 445.338 2.429 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(O)c4ncccc34)C2=O)cc1 1636589040 YWXGFIKFGILEMC-GOSISDBHSA-N 429.436 2.333 30 10 IEEE COC(=O)c1cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1N1CCCCC1 1638347990 PUCAMYLECLNSRB-QZQOTICOSA-N 426.473 2.319 30 10 IEEE C[C@@]1(C#N)CN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 1639634163 XKVIWDBGSQZFPM-ZJSXRUAMSA-N 435.480 2.027 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)c1cc[nH]n1 1645141423 XRXWKYDVGJPNRT-NRFANRHFSA-N 448.907 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)c1[nH]cnc1CCN2C(=O)CNc1ccc(C#N)cn1 1646078034 XMWSIHWEVBZYBQ-QFIPXVFZSA-N 437.504 2.009 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1646525366 AUDKCCAKGMCOIM-OAHLLOKOSA-N 444.289 2.045 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 1668945734 YQVVPUYRHSNNDJ-UHFFFAOYSA-N 434.496 2.438 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 1670497827 FGZXASBKJJBTCV-INIZCTEOSA-N 430.505 2.018 30 10 IEEE Cn1cc(CNC(=O)NCCc2ccccc2S(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 1680013791 GATZYQQNKKWYMR-UHFFFAOYSA-N 437.525 2.404 30 10 IEEE N#C[C@]12CN(C(=O)NCCOCc3ccc(Cl)cc3Cl)C[C@H]1CS(=O)(=O)C2 1681147943 VUFNGDIQBDWRIF-SUMWQHHRSA-N 432.329 2.090 30 10 IEEE CN1C(=O)[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)Cc2ccccc21 1687020815 GYUOPUKJCUUCTE-FQEVSTJZSA-N 443.511 2.146 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@@H](C)CC 1689966180 MLZKFGRQIRTHPO-HOIFWPIMSA-N 435.569 2.453 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1689979677 FYNDLNXPXWLMFR-HXUWFJFHSA-N 429.590 2.138 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(c2ccccc2OC)C1 1690099875 OSBFRVNSSSGHAW-IBGZPJMESA-N 449.559 2.300 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)c1ccco1 1690104521 YWRBTPUVJPRLEB-CVDCTZTESA-N 438.484 2.377 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(CCOc3ccccc3)CC2)nnc1C(C)(C)C 1690677930 FIJRRFTZAWQLLG-UHFFFAOYSA-N 426.565 2.079 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CC[C@H]2C3)cc1 1690678996 IBUSMHRLXLRDIE-NJAFHUGGSA-N 431.562 2.490 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690681753 ZQBJADNYPIBHMA-MSOLQXFVSA-N 441.488 2.144 30 10 IEEE CCOc1ncccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1696177581 BZCVLHXYCNWVTJ-XGHQBKJUSA-N 430.484 2.286 30 10 IEEE CO[C@H](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1697134768 WYFBCTUDARRUJP-XJKSGUPXSA-N 439.394 2.370 30 10 IEEE N#CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1698493336 QLWZEAQYSPOOFE-INIZCTEOSA-N 444.517 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1705595827 HZWDREQIJJSROR-GOSISDBHSA-N 429.528 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705598841 RMMXPGWJHXEYQG-NHCUHLMSSA-N 437.544 2.220 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC2CC(OCC)C2)CC1 1705648646 VLFIYRQRPMVLKD-CKHPTIKVSA-N 443.592 2.343 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705704720 YQJGAVPCHJZUHJ-QUCCMNQESA-N 435.532 2.395 30 10 IEEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1705744649 KOWJZCNFACWNBR-RTBURBONSA-N 431.562 2.361 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)(C)C 1705835385 JCTQAIQQINLRFC-UHFFFAOYSA-N 447.609 2.474 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705908300 MXLTXNCERQDKNY-SJLPKXTDSA-N 429.496 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCSC(CC)(CC)C1 1705928409 PWOINKLPJGDHST-UHFFFAOYSA-N 443.639 2.129 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)CCCN2C 1712454706 KRYKXHSGMVZAIG-UHFFFAOYSA-N 434.548 2.476 30 10 IEEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CCN(C)CC1 1712756764 ICUKBUXJVAWTNK-QGZVFWFLSA-N 431.610 2.187 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1712882508 CLRYNJVLVBQBIW-LJQANCHMSA-N 429.546 2.485 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)c1cc[nH]n1 1722281806 VYKFMVAMNWBTRE-INIZCTEOSA-N 428.500 2.413 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1722340617 ZUUFEQMGXXRWJP-UHFFFAOYSA-N 425.489 2.358 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C1CC1 1722343834 KBXUUOQWCAXYIR-OAHLLOKOSA-N 429.594 2.099 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722620510 NUFNLXOGKQLREP-ACRUOGEOSA-N 432.613 2.185 30 10 IEEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C)C1CC1 1722650475 BXFGHOPUECQXKB-IBGZPJMESA-N 447.561 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1722695016 PHPJIYBIWKSFQM-UHFFFAOYSA-N 438.561 2.124 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1723456224 ZGBIMXDQOMVJHJ-UHFFFAOYSA-N 425.581 2.173 30 10 IEEE C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1723850845 HHXLLFGOXLZUPF-QGZVFWFLSA-N 436.589 2.474 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](OC)C(C)(C)C 1730868707 KNJAIGYSHXEZIU-QRQLOZEOSA-N 434.585 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCC(=O)N(C)C 1740537283 SVSABUJXXZDIBU-HNNXBMFYSA-N 429.521 2.297 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1740657736 WZYRWUYVAKBKKY-NZQKXSOJSA-N 449.555 2.222 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC 1740679260 RQTRZKCEEXWEFP-IBGZPJMESA-N 449.552 2.190 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740701592 MNTHEMHWWVSGDG-IQGLISFBSA-N 446.555 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](c2cccs2)N(C)C)CC1 1740705867 NLRNIVFAUDUQRQ-GOSISDBHSA-N 426.590 2.486 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740719104 HUZRERGVXQRLLZ-KDURUIRLSA-N 428.606 2.176 30 10 IEEE C#CCSCCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723735 TUZAJGCWRVOVRE-QFIPXVFZSA-N 443.573 2.348 30 10 IEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(N)=O)C1 1740858551 UFMQRSRXXFUHNW-MRXNPFEDSA-N 445.593 2.215 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CC(N)=O)C1 1740882422 KOZJGPVZXHIJLL-QGZVFWFLSA-N 441.532 2.401 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)C1 1741571489 FJJLHGRMUXLWGZ-SIKLNZKXSA-N 426.569 2.165 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCN1CCCS1(=O)=O 1744656385 HLRTXFQOHIZOHT-FQEVSTJZSA-N 442.589 2.207 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1CCCO 1747704083 AKHWWHRPCZZXMF-OAQYLSRUSA-N 434.548 2.033 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCC(C)CC1 1748959933 AWNQFIMZUWYITM-UHFFFAOYSA-N 449.559 2.412 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC(F)(F)C2(OC)CCOCC2)CC1 1748972150 CLNUNHGRNUBUHP-KRWDZBQOSA-N 425.524 2.378 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749219237 AUUOXGCJQQPFIK-SFHVURJKSA-N 436.520 2.070 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749221172 ZJHXCNKAVYFCFU-FQEVSTJZSA-N 426.565 2.481 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1749294360 XPKLTSAFFPPVIM-KRWDZBQOSA-N 435.536 2.382 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@@H](C)CC 1749482685 LXHCLIXSENRMJC-HNNXBMFYSA-N 433.582 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1749663671 MLVYOXLZWXUTKR-LJQANCHMSA-N 448.575 2.082 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749664800 ZZQSQFVBDWFBPG-AWEZNQCLSA-N 439.969 2.160 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1749707440 DWLIPAROAVKSQH-VQTJNVASSA-N 425.533 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1749739615 HSNCUCYVJVNHBU-NRFANRHFSA-N 432.546 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]2CCC[C@H]21 1749741064 ODPRPJSOVSLLHD-HCXYKTFWSA-N 438.594 2.372 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749766546 NGVQKPRVMHWYSG-QGZVFWFLSA-N 443.639 2.299 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1752557888 NOIFMOHZKWSSIK-SBUREZEXSA-N 447.547 2.125 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1760176267 FDXGAJZFEAYDSL-FYYLOGMGSA-N 436.604 2.263 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760185800 DTVNFWKVYVIYQT-QUCCMNQESA-N 446.548 2.061 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760192860 YVIQKZLBMKZGCZ-AZUAARDMSA-N 430.574 2.115 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCCC2=O)cc1 1760224503 MQEXVSWVWQYVPP-UHFFFAOYSA-N 434.544 2.144 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cc(C)nn2C)CC1 1760256148 DOLXOVZSGUWRLB-GOSISDBHSA-N 437.523 2.403 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1760257255 RWLHLXMXAZHBED-VGSWGCGISA-N 444.605 2.254 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1)N(C)C 1761396001 HMTGQYIMVLMNBW-IBGZPJMESA-N 437.592 2.315 30 10 IEEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CC1 1763020074 HCTNVYZOPMTDOM-UHFFFAOYSA-N 430.578 2.029 30 10 IEEE CCCN(CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1766032164 FLUTVIJKNAYGLA-SJORKVTESA-N 434.541 2.158 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CCC[C@@](C)(C#N)C1 1766847973 IDWFCXIMVHZHIT-CVDCTZTESA-N 427.597 2.303 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1769585813 BZMFJQGORKCOTK-ZWKOTPCHSA-N 440.548 2.457 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1769959018 FPGQQLYHJNZWIC-YVHKJVDXSA-N 429.521 2.050 30 10 IEEE N#CCC1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)CC1 1771539739 JKRALWHFECEZFO-UHFFFAOYSA-N 432.550 2.251 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(C(=O)N(C)C)CC2)[C@H]1c1ccc(C#N)cc1 1848994211 FZZUEDUKISNDNN-NHCUHLMSSA-N 442.585 2.279 30 10 IEEE N#CCOc1ccccc1C(=O)OC[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852727918 ONVBFURXMURYJK-LJQANCHMSA-N 428.510 2.087 30 10 IEEE COc1ccc2nc(N3CCN(C[C@@H]4CCC(=O)N(C(=O)CC#N)C4)CC3)sc2c1 1854677879 NHBPNSYKNOZFHM-HNNXBMFYSA-N 427.530 2.106 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1=O 1855269530 UPNDHPKDZMMZJX-ZDUSSCGKSA-N 427.885 2.169 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCn2ccnc2)=C(N)Oc2c1c(C)nn2C 1864316786 OSJMFIAUGWWFQU-FQEVSTJZSA-N 448.527 2.391 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1cccc(OC)c1OC 1864653188 TVHMGSCQXDFQIU-GFCCVEGCSA-N 438.406 2.453 30 10 IEEE Cc1c(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870155715 ATVFQQOCRNESKJ-UHFFFAOYSA-N 437.328 2.245 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699904 VOUNWDYLRGFYDD-UHFFFAOYSA-N 445.506 2.399 30 10 IEEE COc1cc(N2C(=O)N[C@H](CCC(=O)Nc3cccc(C#N)c3)C2=O)cc(OC)c1OC 1873866325 CEAVRIDCTQLLQQ-MRXNPFEDSA-N 438.440 2.428 30 10 IEEE CC(=O)NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(O)c(O)c1 1874432552 LPFWSCPKJDFVNI-ZVBGSRNCSA-N 442.457 2.408 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(Cl)c1 1874433796 YOVOUDRKXMLQKN-NUGSKGIGSA-N 446.920 2.451 30 10 IEEE CCN(CC)C(=O)CSc1nnc(C)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874529581 QZUNPXBVJJVFOT-VXLYETTFSA-N 434.478 2.109 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2(OCCO)CCCC2)[C@H]1c1ccc(C#N)cc1 1889484822 QEEWAABZWPKIDF-RTWAWAEBSA-N 445.585 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060636243 VVDAFJBEABADDC-QFXBJFAPSA-N 436.358 2.155 30 10 IEEE C[C@@H]1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1NC(=O)C(F)(F)F 2254792707 XSTYVZPYKIIKFE-YPMHNXCESA-N 431.239 2.413 30 10 IEEE Cc1c(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534760 LMXDESZODXCQLB-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255630400 JVDZLSAXDFAKRQ-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2cscc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256872142 DOZOUFQHBYUKJZ-UHFFFAOYSA-N 444.362 2.364 30 10 IEEE CC(C)(C)OC(=O)NCC1CC2(CCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267092552 WXZRBCLUHVXDKV-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE Cn1cc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267133499 CNVLZGCVBPUSBS-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267144517 XLPGVCIHLKEBTQ-QPSCCSFWSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267144887 BZVRAKLJGLJYKT-GJZGRUSLSA-N 446.357 2.323 30 10 IEEE CCn1cc(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267171976 RCKMSAPOHLRJME-CQSZACIVSA-N 448.373 2.187 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267197812 OTYQWQAJOSDPQQ-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267279699 JDCOYKYGZCLKAL-UHFFFAOYSA-N 448.325 2.041 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(C)CN(C(=O)OC(C)(C)C)C1 2267485966 JMPLYORSYNMHDI-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CCN(CC)CCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267605575 WCFOORCTLKIOOK-UHFFFAOYSA-N 441.385 2.099 30 10 IEEE CC(C)(C)OC(=O)NC1CCC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267875009 CQHCKNPVZSAJFT-UHFFFAOYSA-N 446.357 2.342 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@@H]1C1OCCO1 2282318542 HIYRUGXFDDEMJA-CQSZACIVSA-N 443.396 2.272 30 10 IEEE C=CC[C@]1(CO)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2287710604 UVXKRGMAMCIRAG-QFIPXVFZSA-N 434.558 2.289 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2300339611 GOCPIGOFDLOZFJ-STQMWFEESA-N 435.355 2.276 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2N=Cc2cccn2C)cc1 2330736149 GTMDFISZNOXIFX-UHFFFAOYSA-N 439.545 2.428 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2331612491 FGAJPUZGZSFOFS-UHFFFAOYSA-N 439.497 2.413 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H](C)CN1Cc1ccccc1 2337189721 FDACEJXCHICTFI-QZTJIDSGSA-N 438.381 2.454 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203129 SUWZOPVINDSBKM-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE COC[C@](C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 464497008 VTOOPISYLKFKSI-KRWDZBQOSA-N 433.452 2.043 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4c3OCCC4)CC2)cc1 467777625 XQRVEPCOENIXQN-UHFFFAOYSA-N 426.498 2.422 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Nc3nc(CN4CCCCC4)cs3)CC2)c1C#N 471991912 LJYIWSSZUPSKST-UHFFFAOYSA-N 428.566 2.397 30 10 IEEE CC(C)C[C@@](C)(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 476296815 AAVIWDBJSXKKDL-NRFANRHFSA-N 446.529 2.019 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)c3ccc(Cl)c(C#N)c3)C2=O)c1 479216342 ZCMZPJFITPADNJ-GOSISDBHSA-N 435.889 2.313 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481985814 ZCDATSKDGAUKCY-UKRRQHHQSA-N 427.551 2.140 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 488455658 CUSSWLUSKPKHPT-HNNXBMFYSA-N 426.410 2.349 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C[C@@H]3CCCCN3C)CC2)cc1 522549842 PXECKLXHVBRYRN-QFIPXVFZSA-N 427.593 2.434 30 10 IEEE COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)c1 523267177 LTFRGEKYMXAEPB-KRWDZBQOSA-N 442.541 2.143 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)cs1 523580410 ZTTCEFMADKJPSY-OAHLLOKOSA-N 431.583 2.226 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccccc2)c1=O 532194041 XHWHRXIMTMBSQW-UHFFFAOYSA-N 439.562 2.056 30 10 IEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555268160 HQGNXJGUTUHGGY-UHFFFAOYSA-N 426.565 2.342 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 558998914 FKCXJUYWEYSXIF-ZDUSSCGKSA-N 442.383 2.493 30 10 IEEE C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1(S(C)(=O)=O)CC1 562116525 WPJUYTPHYBMKFJ-NSHDSACASA-N 437.572 2.789 30 10 IEEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 574488184 PUFILUKXMZYWJF-HXUWFJFHSA-N 434.544 2.396 30 10 IEEE COc1ccc(/C(C)=N/Nc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1 606630984 SPXIIBSYAUYCAD-MFKUBSTISA-N 432.484 2.327 30 10 IEEE C=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OC(F)(F)O2 730137055 BWJRZZGEFHQSRA-HNNXBMFYSA-N 440.472 2.194 30 10 IEEE CC(C)[C@@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 739401902 NFOICIKFSKRRCM-MAUKXSAKSA-N 447.605 2.077 30 10 IEEE COc1ccc(C)cc1C1(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCOCC1 746161938 FORYEYYPEXZFGU-DQRAZIAOSA-N 427.501 2.085 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 757211369 SVRHMMLVHRWTBB-IRXDYDNUSA-N 443.552 2.358 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@]2(C1)OCc1ccccc12 774107413 VJCBEPZPXMZKMT-JOCHJYFZSA-N 425.510 2.163 30 10 IEEE C#CCN(C(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774167333 SHXRPGXSHWFNBB-XQBPLPMBSA-N 431.602 2.496 30 10 IEEE N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 774320016 KCDGRGUJZYGNQC-IIBYNOLFSA-N 439.418 2.418 30 10 IEEE C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(C)(=O)=O 780181240 XFAMPZWFJZFHCP-ZUOKHONESA-N 438.502 2.222 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N4CCN(C(C)=O)CC4)c3)cc2C1=O 781045100 DQWBJRDIOVEVCP-UHFFFAOYSA-N 432.480 2.389 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccnc2C(N)=O)cc1 787104709 WPTONGMLDCZIHE-JJIBRWJFSA-N 429.502 2.026 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(Br)cn1 789968354 MZTGKVHKLHQHNM-UHFFFAOYSA-N 436.339 2.322 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCCCC(F)(F)F 794651250 SYNNIPLXKZSCPY-UHFFFAOYSA-N 425.432 2.041 30 10 IEEE C=CCN1CC[C@H](N(C)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)C1=O 799143307 IAZNGINBWPIRES-OFVILXPXSA-N 432.524 2.353 30 10 IEEE N#Cc1ncccc1COC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 813168202 CSWNERRYCWCNGX-ORFWMRMCSA-N 439.471 2.476 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1C#N 813644695 KWYFOHSGMZXGBE-UHFFFAOYSA-N 432.374 2.468 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813745782 LTUIHBRGTOPCCF-UXPWSPDFSA-N 434.562 2.350 30 10 IEEE CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)ccc21 817583366 YYBZIWYDLZDPLB-SFHVURJKSA-N 429.379 2.232 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C#N)cc1 823286857 AISISCAEIPUWMO-CYBMUJFWSA-N 431.470 2.001 30 10 IEEE CCCN(C(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@H]1CCS(=O)(=O)C1 925926014 CPPBUGCXKIVISL-HOTGVXAUSA-N 447.513 2.221 30 10 IEEE COc1cc(C=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc(OC)c1 1084094726 XRLYJKYYTSPYLE-UHFFFAOYSA-N 427.509 2.162 30 10 IEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)nn1 1130119739 GYDZOUAVXQDFLS-UHFFFAOYSA-N 445.589 2.415 30 10 IEEE C[C@@H](C#N)N(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)C1CC1 1130875472 QAISLYQKHQQANQ-JTQLQIEISA-N 447.298 2.058 30 10 IEEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c1 1132364844 QTNRWPSNVNZBBM-QFIPXVFZSA-N 441.871 2.362 30 10 IEEE Cn1c(=O)c2ccc(NC(=O)Cc3ccc(Br)cc3C#N)cc2n(C)c1=O 1134136374 DTOICSQNYBFDMZ-UHFFFAOYSA-N 427.258 2.053 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)C1(CO)CC=CC1 1164312548 CTPHBDKRDGKNJV-LAUBAEHRSA-N 439.537 2.411 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1174688148 QCAMOXCAAUCUFS-IRXDYDNUSA-N 433.505 2.212 30 10 IEEE C=CCN([C@@H](C)COC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1192450801 XKTCDPBDHVHIJC-KRWDZBQOSA-N 430.592 2.463 30 10 IEEE CNC(=O)[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)Cc1ccc(OC)c(F)c1 1230367869 BMKBGHPPXTUIOP-KRWDZBQOSA-N 440.475 2.083 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NCCc3nnc(S)n3C3CC3)CC2)c1 1230478926 RZISWAFGUYGHNQ-UHFFFAOYSA-N 425.562 2.280 30 10 IEEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286334584 LWAAQRNTKYMTHL-GOSISDBHSA-N 431.924 2.265 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(COCCOC)cc1 1286369265 JTFWUZRPLQAZMA-UHFFFAOYSA-N 437.500 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)cc1OC 1286396872 JHAKRIZYGQETDI-UHFFFAOYSA-N 430.468 2.064 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1286547686 POYOAHHWRHQCBN-MSOLQXFVSA-N 435.569 2.233 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCOCC2)CC1 1286652399 DUOZNTKJWGYPQF-QGZVFWFLSA-N 425.537 2.049 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1cccs1)C1CC1 1286780108 BXNGPKRRCLIVQO-UHFFFAOYSA-N 437.529 2.458 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286790349 MZKZRHYYNZUTCW-DVECYGJZSA-N 439.560 2.140 30 10 IEEE NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)Nc1cccc(C#Cc2ccccn2)c1 1290506206 SGLHNWAHVKAGRX-NRFANRHFSA-N 430.439 2.233 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 1290832570 NFPVIOGDMDYZQW-LJQANCHMSA-N 428.533 2.319 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC(C)CC1 1292134262 RGICVDSPHZZDJG-FQEVSTJZSA-N 445.612 2.437 30 10 IEEE C[C@H](CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)CN1CCOCC1 1293931679 ABBUWDNZYCOLIU-DYESRHJHSA-N 442.560 2.477 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1295056549 DQNLTXOLZAMQQC-UHFFFAOYSA-N 438.532 2.417 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296206401 PNXQRYXDUKCCOS-OAQYLSRUSA-N 446.962 2.463 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1299205950 DOYFZQFMUQXJFP-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1300493125 QNXWNNUFPUTFFL-HXUWFJFHSA-N 427.574 2.287 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300499893 ZJHIQALLRFAGMZ-CQSZACIVSA-N 438.541 2.399 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CC(OCC)C2)CC1 1300701187 JNLASBDTDHRAMY-UHFFFAOYSA-N 443.979 2.208 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300705563 ABNZMDCJZYDKCG-OAQYLSRUSA-N 433.478 2.436 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300894530 DNWCGOMCNPGZCZ-MRXNPFEDSA-N 444.502 2.180 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)nnc1C(C)(C)C 1301520504 ZJZVVNCPBZNHDV-HDICACEKSA-N 432.613 2.203 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301586825 OQHPEIFHKHBLNJ-CQSZACIVSA-N 439.607 2.238 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1304409897 IECRBMZURIMSAR-WMZHIEFXSA-N 442.539 2.454 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccc(C)c(F)c1 1306154004 SVTBLGDPKVKVRA-UHFFFAOYSA-N 449.490 2.253 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1 1313824413 DAEMSFKUMMBQIW-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)C1 1314925867 CTMNRHXVMFDSIK-JOCHJYFZSA-N 438.557 2.493 30 10 IEEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1316040234 HPFLJGYSZPSXQP-SFHVURJKSA-N 429.546 2.257 30 10 IEEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1316465990 OBBBMIZHLGWNNU-GOSISDBHSA-N 448.618 2.430 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC(F)(F)CO2)CCO1 1316538778 AOQQQTIZVMUBPK-STQMWFEESA-N 425.386 2.300 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1358976589 JRDQRMHPRGCXTB-SFHVURJKSA-N 446.511 2.252 30 10 IEEE C#CCSCCn1c(N2CCN(C3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1359061902 PEPQAJVLXKNOBE-QFIPXVFZSA-N 433.622 2.361 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1359106109 XSTOFJTUTLATCN-HTAPYJJXSA-N 441.532 2.125 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359121966 QBULNTUEOWNOSG-UXHICEINSA-N 430.597 2.271 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NCC)CC1 1359130039 WJEYTOYKLXYYGN-UHFFFAOYSA-N 442.520 2.118 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359186608 LWCMVGIHGGWRKB-UHFFFAOYSA-N 447.547 2.158 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359291248 JLYZPDRNKBVKTE-HKUYNNGSSA-N 429.521 2.360 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359294419 SPKWOAFZBPMQFP-RRFJBIMHSA-N 449.353 2.057 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1449501682 ATCOBITYHUDTCK-ZWKOTPCHSA-N 446.552 2.118 30 10 IEEE C=CCc1cc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc(OC)c1OC 1455708568 WUUFXQMXGHEELU-GOSISDBHSA-N 433.530 2.168 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CC1 1455949701 XWHLJOSGYHBBSP-UHFFFAOYSA-N 425.554 2.301 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1464266070 GLIZFYMMSOVAJD-UHFFFAOYSA-N 429.565 2.001 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1C 1492392105 HUDHUACKLHSSPP-SFTDATJTSA-N 441.532 2.398 30 10 IEEE CCN(CC)[C@H](C)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1501804561 HLRMUFVLGDEJMS-QGZVFWFLSA-N 439.612 2.201 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)C(C)C 1507530568 ZOBFJDAFDHITNG-KRWDZBQOSA-N 431.610 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(-n2cccn2)c1 1507540226 AWUHXXCLYDEFAL-MRXNPFEDSA-N 446.540 2.357 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507636549 AHACNKOQJAESSM-DLBZAZTESA-N 449.602 2.072 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCC(F)F)CC1 1507725509 WUXPWNSSJCIENR-UHFFFAOYSA-N 441.486 2.126 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507754630 ONYPVHFJJOXBQX-UHFFFAOYSA-N 432.638 2.293 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)CC1 1507898012 VOIKRLYQSHEGNE-INIZCTEOSA-N 445.589 2.412 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)nc2ccccc12 1508042116 ZAOCBOSRROYQAJ-IBGZPJMESA-N 436.516 2.473 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1516056510 COPVXNIKDWDLKK-SFHVURJKSA-N 449.519 2.191 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1516786498 RTDSDPLVIDAPIA-SFHVURJKSA-N 442.589 2.338 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1519241804 GDZUIZRCWBDEOT-UHFFFAOYSA-N 434.500 2.437 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC2CCOCC2)c1 1521076518 ZQZBHNKXVDBATD-IBGZPJMESA-N 438.532 2.104 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)C2CC2)n1 1531952232 XPSLWLVVKHWIPV-UHFFFAOYSA-N 432.527 2.487 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539120413 VEFVTGAXAMZLMH-KRWDZBQOSA-N 444.580 2.473 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539216412 RMAQGNFFYFLETA-DOTOQJQBSA-N 435.500 2.402 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(F)c(Cl)c2)CC1 1539428307 PTWIGDDUABIZMB-UHFFFAOYSA-N 448.930 2.043 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C(C)(C)C)no2)CC1 1539428957 YQVDYKZGBDJKCF-UHFFFAOYSA-N 441.580 2.286 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539640426 HQZSQJZCMZNPPX-RXVVDRJESA-N 445.568 2.200 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1539948251 VQHXJUWFWRPXKI-UXHICEINSA-N 430.597 2.417 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(C)S(=O)(=O)CC 1540051505 GOFWRXCYSUKTAR-UHFFFAOYSA-N 445.387 2.330 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1540870058 DNTGSRAVTBPLHE-UHFFFAOYSA-N 440.523 2.226 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1541107339 IVZSZKXCZQWUPI-CABCVRRESA-N 432.506 2.274 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1541798143 CIIZADYWDKTUBU-VFNWGFHPSA-N 446.939 2.405 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc3nc(CO)[nH]c23)c1 1543096580 KWAXVPREMUVEDS-MOHJPFBDSA-N 427.486 2.120 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1546528808 CVODXKPNYMJLSC-HSZRJFAPSA-N 435.507 2.481 30 10 IEEE COCCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1555514276 SHVJBUCHAPIKKV-LSDHQDQOSA-N 447.499 2.102 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2csc(I)n2)C1 1556132577 OVVBWFPSCNPRKD-BDAKNGLRSA-N 448.286 2.237 30 10 IEEE Cn1cc(CNC(=O)c2c(Br)nc3n2CCOC3)c(-c2ccc(C#N)cc2)n1 1556162825 GPPSQMLUEBRAOV-UHFFFAOYSA-N 441.289 2.378 30 10 IEEE Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1B1OC(C)(C)C(C)(C)O1 1556564844 APEJOKOJUWVERP-KRWDZBQOSA-N 440.353 2.319 30 10 IEEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](CO)c1cccc(Cl)c1Cl 1557389509 FYHYDBULKIQHGV-MRXNPFEDSA-N 442.324 2.335 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1557720796 DVMYZGXHBHAASA-IEGACIPQSA-N 446.429 2.167 30 10 IEEE N#C[C@]12CN(c3c([N+](=O)[O-])cnc4cc(Br)ccc34)C[C@H]1CS(=O)(=O)C2 1559294028 SXXMOUNVYPXVEC-MGPLVRAMSA-N 437.275 2.280 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 1561531414 HGKLGZOQFAZURK-UHFFFAOYSA-N 446.407 2.281 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](O)COc3ccccc3)C2)C1 1566332916 SUVNIMQGQZUMLR-POTGORPSSA-N 429.517 2.329 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])cc2C1=O 1585333368 GIAIJBMWXXOUJH-UHFFFAOYSA-N 449.467 2.381 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1587749767 MZXQNNPXGAXWQP-KRWDZBQOSA-N 437.552 2.311 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1588219020 IVUAMGSFMDYBCK-UHFFFAOYSA-N 428.500 2.063 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC(F)(F)CO2)CC1 1588848568 ITFPNSLUFQSQKO-SFHVURJKSA-N 431.487 2.057 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C 1589036367 DVAISHWOBNGKPI-UHFFFAOYSA-N 443.573 2.434 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1594856540 GULGXLQQKUVHBI-AWEZNQCLSA-N 438.623 2.479 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@@H]1C 1595239540 MMWWAMFGCSVYHH-FHJLPGHOSA-N 425.533 2.004 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](COC)C1 1595500652 APXRQYDDFRLTHY-LJQANCHMSA-N 427.549 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CCC)C1 1595529602 AMDDRMMGSJXZCZ-FQEVSTJZSA-N 435.532 2.438 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)C1 1595754147 LQCWVOWRNAPXTA-YTSMVRMISA-N 431.581 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCCOCC1 1595821384 BJAIQWAFKIGMAK-UHFFFAOYSA-N 429.546 2.109 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 1598177551 CYLVDCVVZLTMJJ-UHFFFAOYSA-N 440.525 2.201 30 10 IEEE C[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612767580 VUCRGUNDOQQVEV-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1613554962 ARMIZHVTWDTLOV-QHCPKHFHSA-N 441.580 2.337 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1613598670 YIUNBGOEMZHNSQ-LJQANCHMSA-N 438.532 2.171 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1615956198 DPDJSLXPQVHHLA-MJGOQNOKSA-N 437.548 2.483 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1 1618829033 CKOGUMFTUBJCJA-QGZVFWFLSA-N 443.602 2.127 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C1 1620346792 HZRUEGZGHMZFQP-FQEVSTJZSA-N 444.902 2.138 30 10 IEEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1620351882 KEUZXTJIMLUFMP-LSDHHAIUSA-N 435.326 2.316 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)C1=O 1625078957 FLUGLQDJGQAHAI-UHFFFAOYSA-N 447.451 2.078 30 10 IEEE COc1cc(NC(=O)Cc2cccs2)c(C(=O)N[C@H]2CCCN(O)C2=O)cc1OC 1628548478 ZQQIVQJZLAJCND-AWEZNQCLSA-N 433.486 2.057 30 10 IEEE C#CCN1CCCN(C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)CC1 1629536745 BBBRQBFZIYKFQJ-GOSISDBHSA-N 427.574 2.412 30 10 IEEE CNC(=O)NC[C@@H]1CCCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1632169853 LCBOHWYPPNJNHA-INIZCTEOSA-N 440.504 2.333 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)C1=O 1634109396 AADIBORKNWXASW-SJLPKXTDSA-N 446.552 2.099 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ccc1F 1635415625 LWFGWHNJUQGVIP-KRWDZBQOSA-N 443.504 2.273 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1636255293 KZRPLVPWFCOHBB-UHFFFAOYSA-N 425.557 2.038 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3cc(Br)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1638470528 HHRHYDWAJKQTQT-NHYWBVRUSA-N 432.727 2.182 30 10 IEEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1648848998 DXPCHBJRADMPAN-FQEVSTJZSA-N 442.512 2.469 30 10 IEEE C#CC1(F)CN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CCCCC)C1 1651092143 FKUHQVBZVYIESF-UHFFFAOYSA-N 431.512 2.405 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 1670762272 DJMXJINIVQZPHG-KKBVYLPWSA-N 434.518 2.359 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OCC)cc2Br)C1 1671459792 ZGLJKTILNPEITP-CQSZACIVSA-N 429.336 2.002 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1CCCc3cc(C#N)ccc31)CCS2(=O)=O 1673750768 UFWXLKRGVSYFAJ-ZJPRYJDKSA-N 445.541 2.134 30 10 IEEE CN(CCNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1cccs1 1680556383 SGHZEGQZJHTUGO-KRWDZBQOSA-N 434.543 2.023 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 1681951303 LABYAYRJFVCHIR-IEBWSBKVSA-N 438.981 2.161 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 1684165654 IRAFOCDFCCYKTR-LJQANCHMSA-N 438.981 2.366 30 10 IEEE C#CCC1(O)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CC1 1687576239 DKPDXMZBZADVMP-GOSISDBHSA-N 435.565 2.352 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689920762 JCOYRHXIAHTAOG-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1689975221 OVNADKNYZDSSCO-GOSISDBHSA-N 435.532 2.338 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1690003218 HNLVVYYJCFSKKN-HFMPRLQTSA-N 427.593 2.371 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1690245549 JUVBLXQDYVOKAV-MKXGPGLRSA-N 438.594 2.023 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1690263463 CAFUXUCXAQHJKY-OAHLLOKOSA-N 442.545 2.431 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1690334421 OKCVTMHMRIAQIT-UHFFFAOYSA-N 448.936 2.499 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690662979 IEKVPBTXHZSLGB-IAGOWNOFSA-N 426.477 2.018 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1693888539 OGPFQWJUERCJRI-IBGZPJMESA-N 442.589 2.427 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1Cc1ccc(C#N)o1 1694313677 BWMFWRCWZVRRPC-RTHVDDQRSA-N 426.521 2.307 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1695534237 BJISPVJSRPELSJ-FQEVSTJZSA-N 436.541 2.468 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2CCN(C(C)=O)CC2)CCOC1 1696046091 GBAHKUXDFTWQOH-HSZRJFAPSA-N 444.580 2.319 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)OC)n1CCN/C(O)=C1\N=CC=CC1=O 1697279398 POWPOQHPKWPODU-FBMGVBCBSA-N 432.868 2.131 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnccc1OC 1705481412 GDYLOBYLPFYMRD-OAHLLOKOSA-N 425.514 2.258 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(OC)CCOC2)CC1 1705642190 JZUCAMIEHLYKGT-XMMPIXPASA-N 439.560 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)[C@H](C)CCC)CC1 1705648720 XDXXKVMXWNLOAI-GOSISDBHSA-N 442.608 2.454 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](COC)C2)cc1 1705911459 IRDDUNWGSMESDI-MOPGFXCFSA-N 446.573 2.266 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1sccc1Br 1706625014 CILAPYDTEQHKHA-NSHDSACASA-N 439.339 2.017 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1706645364 GEXVZMWRYUTGIT-UHFFFAOYSA-N 436.495 2.135 30 10 IEEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCNS(=O)(=O)c2ccccc2)n1 1707581146 CSSSKLLVNPDKBJ-MRXNPFEDSA-N 439.545 2.223 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@H](C)O1 1708235015 XSMVSMTZRYTNQI-IRXDYDNUSA-N 436.520 2.104 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1710745084 SGXLJZNZNJAOOD-GVDBMIGSSA-N 434.541 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1722296557 RPSDLKZCOMZKTM-IEBWSBKVSA-N 446.573 2.020 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1ccnc1C 1722344729 RWYYHMMKPWZHRK-UHFFFAOYSA-N 440.577 2.211 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(=O)OC(C)(C)C 1722345605 HWQKCEJOAAOAAC-UHFFFAOYSA-N 447.561 2.285 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)c1 1722376790 ZKZDWJWJHWLSPB-UHFFFAOYSA-N 440.349 2.485 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1722527971 UIWXJSBONIROQE-UHFFFAOYSA-N 427.505 2.472 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722581515 DHJSZRDNRYFYFC-CHWSQXEVSA-N 439.504 2.258 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1722660549 YJNWGPYJGOAHSQ-GOSISDBHSA-N 428.512 2.429 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)OC 1727955328 CKQRNWBJKORPDS-MOPGFXCFSA-N 447.561 2.167 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1728207053 FSXPFOKKKVVOCI-HXUWFJFHSA-N 437.548 2.244 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1729493283 XCSBETQOLPIOFN-UHFFFAOYSA-N 430.456 2.145 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)C1 1730807023 RZJGQPZCVGLNJR-SJORKVTESA-N 428.537 2.357 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCOCC2)CCO1 1731188314 DORXAORCLDTYFZ-KRWDZBQOSA-N 432.912 2.308 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(O)(CC)CC)c1 1740561690 AUBCKYZDEHBIMJ-UHFFFAOYSA-N 433.516 2.342 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740581565 ATZJLXSNUBGDDT-DOTOQJQBSA-N 439.516 2.099 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2ccc3ccccc32)CC1 1740689157 QFCBAQCVYSOJPS-UHFFFAOYSA-N 433.560 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1740706638 YMIYDGYVHGPKAU-SFHVURJKSA-N 444.580 2.425 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740741153 FTOYQDITJXDAEZ-MRXNPFEDSA-N 447.337 2.076 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn2ccccc12 1740936756 HYAVPKYYIKHIMC-UHFFFAOYSA-N 432.488 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(C)(OC)C1 1740994878 YCGVUEOSUAXURO-UHFFFAOYSA-N 440.953 2.336 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1741992652 CBFWILHTOBKMCL-HOTGVXAUSA-N 446.458 2.190 30 10 IEEE CC1(C)CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1741998323 GDDSFXZXGRFMHF-QFIPXVFZSA-N 440.527 2.489 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1747241844 OIHWUKSFVPAFTJ-SXLOBPIMSA-N 443.573 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1NC(=O)CC1(C)C 1748841002 PEGPDNZJDCHTTR-FQEVSTJZSA-N 427.512 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCC(C)CC2)CC1 1749008916 DCQLANHXGWPTKK-OAQYLSRUSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1749009595 KQNIWBBRMYGHIZ-NJDAHSKKSA-N 441.576 2.119 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@H]1C1CC1 1749053867 MZMURPHSWCFOEM-YHEJVBIMSA-N 435.594 2.086 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749272341 QYXSHTOOGDQLEU-SJLPKXTDSA-N 432.956 2.384 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749272342 QYXSHTOOGDQLEU-WMZOPIPTSA-N 432.956 2.384 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1749687399 QSBYDOXZGVYXQN-CYBMUJFWSA-N 447.483 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(F)cn2)CC1 1749721605 OQPVXKKZJIVHAI-MRXNPFEDSA-N 436.557 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2ccccc2CC1 1749732274 UTYDELIDYOFQRJ-FQEVSTJZSA-N 430.574 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1749733776 CAYLVSOUEQTPTB-AVRDEDQJSA-N 446.573 2.135 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(CN(C)C)c2)cs1 1751782436 IOGSIPRVZQGCJR-HXUWFJFHSA-N 437.573 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1760270222 UTZPAQURJMTOMJ-PWRODBHTSA-N 443.592 2.199 30 10 IEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1760285469 HKMBHIHTDHYLQC-UHFFFAOYSA-N 440.978 2.112 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC(C)(C)C1 1760552894 FFTSSQSPWFSMLQ-UHFFFAOYSA-N 425.942 2.210 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558356 MWPOWCPBGKSWKG-YLJYHZDGSA-N 426.583 2.156 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1760695073 AIDAHZKANREICP-MBOZVWFJSA-N 426.521 2.107 30 10 IEEE C[C@@H]1COCCN1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1763239762 CJASRSJYUYOQDP-IDVKNYFZSA-N 434.560 2.359 30 10 IEEE CCOc1ccccc1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1766059626 CLQUKHARAANGIG-JOCHJYFZSA-N 426.496 2.484 30 10 IEEE COCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769180641 CSWSDPZYKYAPJH-INIZCTEOSA-N 435.536 2.323 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1769385172 DYYVVHLUGNEJBZ-UHFFFAOYSA-N 437.504 2.208 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC(C)(C)C 1770009970 RVNWWCDNYKIXKC-OAHLLOKOSA-N 444.536 2.352 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(-c3cccnc3)n2CCCCCCO)CC1 1770741143 YIFVSJWEKGKYTD-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)C[C@H](C)O1 1770960091 DGHNTEKSHMBEFC-LPHOPBHVSA-N 429.521 2.394 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@H]1C[C@@H]1C 1771099874 CTIRVVKMQAWQOA-IPELMVKDSA-N 429.546 2.286 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1772566529 JYVDHRFQVYRZJJ-HDICACEKSA-N 430.597 2.173 30 10 IEEE Cn1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)ON2C(=O)c3ccccc3C2=O)cn1 1772791684 FEEXSUMZKRTDJP-LEWJYISDSA-N 430.464 2.390 30 10 IEEE Cc1ccc(C)c(CN2C(=O)N[C@@]3(CCN(CC(=O)Nc4ccc(C#N)cc4)C3)C2=O)c1 1848451350 TWFWGMHQNAXSTO-XMMPIXPASA-N 431.496 2.310 30 10 IEEE Cn1c(=O)ccn([C@H]2CCCN(C(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)C2)c1=O 1852939387 IMLYYQAOYBWPSW-OALUTQOASA-N 429.480 2.075 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C2=O)CC1 1853680386 GDOKXNQYVBCVHZ-WMZOPIPTSA-N 432.908 2.269 30 10 IEEE C=CCN([C@H]1CCN(C(=O)CCSc2ccc(OC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854219888 UNLIOXKMDDJOBR-MOPGFXCFSA-N 431.558 2.024 30 10 IEEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](CN3CCC(CC#N)CC3)CCC2=O)cc1 1856963103 NQTAYUSPZPFHCO-IBGZPJMESA-N 431.558 2.160 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759403 QVVAYBXOMYNHKH-DYZYQPBXSA-N 443.368 2.168 30 10 IEEE C=CCn1c(C(=O)Nc2cc(OC)cc(OC)c2)cc2c(NCCOCCO)ncnc21 1873631932 LTFDDFUHLZKCSJ-UHFFFAOYSA-N 441.488 2.308 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874470932 PPISFAJHXLAGDM-VXLYETTFSA-N 447.502 2.445 30 10 IEEE CN(C)CC#CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1890935401 RGJJFQSUTDYHDZ-HXUWFJFHSA-N 437.993 2.297 30 10 IEEE COc1ccc(-c2cc(=O)n(CC(=O)NCC#CCN3CCc4ccccc4C3)cn2)cc1 1891222968 FJHVDLOZXRLVJD-UHFFFAOYSA-N 442.519 2.097 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060640594 WRMRGTRGJPWRLL-UHDSXZAQSA-N 436.358 2.467 30 10 IEEE C=CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(Br)c1=O 2172901878 YCWNNLNMJZFONV-CHWSQXEVSA-N 443.342 2.222 30 10 IEEE C#CCOCCCNS(=O)(=O)c1c(N)cc(Br)cc1Br 2204295557 IFIBLRGRMTUROW-UHFFFAOYSA-N 426.130 2.112 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243426934 NVNMQCFKOBZLAS-OAHLLOKOSA-N 430.376 2.493 30 10 IEEE CON(CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243667135 DWRILUBSMQCINZ-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE C[C@H](O)CN(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247838048 BVBRFAGDIVJZQC-AWEZNQCLSA-N 433.745 2.396 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247861715 OYPGAWNQFVHLAQ-HXUWFJFHSA-N 440.371 2.053 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255806785 KDZRQUVFWNCKAY-BTTYYORXSA-N 449.382 2.285 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255809140 SUHZTOMBWLWIEP-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1NC(=O)C(F)(F)F 2255845480 BXTIRVPXFXUTNR-VXGBXAGGSA-N 430.232 2.108 30 10 IEEE C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2255871350 UXRAPPPCHCSBFS-AWEZNQCLSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255945090 QDJLEONZWMGIGY-HOTGVXAUSA-N 432.326 2.477 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256678768 GXSZUXFLIUHGSM-CQSZACIVSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267163902 KIFNDTJILQODEL-UHFFFAOYSA-N 444.341 2.073 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1)C(=O)OC(C)(C)C 2267186682 NAXVKRITBXHWMX-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CCn1cc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267497033 IFMYNBGNEWMXSY-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CCC[C@@H]12 2267518339 DKCIKZIMSYXKPG-QRQCRPRQSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267522563 XUIJPKXPKCJVOV-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 103113717 BQGKSXHWHZBULV-LAGVDGIJSA-N 446.507 2.397 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)CC#N)c3)cc2C1=O 219728659 SHVXOGFMWWKWMS-UHFFFAOYSA-N 434.452 2.101 30 10 IEEE C=CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CO)(C(=O)O)N[C@H]2c1cc(Cl)cc(Cl)c1Cl 248246304 QMJUUBCTQRFYRC-WKZPIUISSA-N 447.702 2.284 30 10 IEEE CC(C)(C)OC(=O)N(C[C@@H]1C[C@@H](S)CN1C(=O)OCc1ccccc1)S(N)(=O)=O 381798195 QQSZFCYKQUSUKB-LSDHHAIUSA-N 445.563 2.137 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@@H]1CCCO1 440381535 LYCLRINLQWVZPI-APWZRJJASA-N 440.565 2.353 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 460542548 JZMDKBUKIBJDKT-LPHOPBHVSA-N 449.577 2.393 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 460542552 JZMDKBUKIBJDKT-VQIMIIECSA-N 449.577 2.393 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 461328955 BYFCWULMJUMRHG-UHFFFAOYSA-N 442.541 2.092 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 463633350 DYYKRUADQBORQP-UHFFFAOYSA-N 445.541 2.448 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 472323357 GDGOQPKSFRBNFY-GFCCVEGCSA-N 448.423 2.278 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)cc1 480955929 ILGHNMSQWLPPKB-CABCVRRESA-N 439.497 2.292 30 10 IEEE COCCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@@H]1CCOC1 490054692 NPBHFFUWLHBJRY-MSOLQXFVSA-N 430.549 2.093 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 493654447 IVVCVKRDIRQMBF-UHFFFAOYSA-N 427.486 2.383 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 506865642 NVCVWPZTBPXHFN-MSOLQXFVSA-N 448.520 2.214 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 508882563 YSODNJRAMJMCRP-QGZVFWFLSA-N 442.564 2.185 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 508916960 AOCPDAKTKCWMDQ-VQIMIIECSA-N 444.967 2.204 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccoc4)n3C[C@H]3CCCCO3)CC2)c1C#N 515076155 YIXGPGNZNVRTKY-GOSISDBHSA-N 436.520 2.347 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 515570920 OWGOTOMIKYRZEI-QFBILLFUSA-N 443.525 2.099 30 10 IEEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3cccc(F)c3C)o2)c1=O 522409358 XIZARCMPAKSEIQ-UHFFFAOYSA-N 437.496 2.419 30 10 IEEE COc1ccccc1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 588640480 ZWYJQJVLPLLSKJ-MRXNPFEDSA-N 428.514 2.344 30 10 IEEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]c1C1CC1 588768621 QSMTVHOKOJAUBE-UHFFFAOYSA-N 433.921 2.852 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)CC2)c1 604366553 NWIBCLAJURKGRV-UHFFFAOYSA-N 428.496 2.195 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c(F)c1 609256853 KAWAHTMXKFJOBH-UHFFFAOYSA-N 431.427 2.277 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCSc2ccccc2)CC1 616172964 SQXGTRPCDWSOAC-UHFFFAOYSA-N 430.555 2.366 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)NCCOC)CC1 669808141 FMLMBBNSUZYKEH-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n1 726877324 GYPCZPKXULBRRJ-GTNSWQLSSA-N 436.588 2.193 30 10 IEEE C#CCN(C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 729333094 LKRZEYNEXNICRF-GFCCVEGCSA-N 427.313 2.145 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669593 RNUCTRPHSXXHRJ-UHFFFAOYSA-N 430.464 2.417 30 10 IEEE N#C[C@H]1CN(C(=O)CCC(=O)c2ccc(I)cc2)CCN1C1CC1 732664334 HJVAGJJLORXIBG-INIZCTEOSA-N 437.281 2.453 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(-c3ccccc3C#N)c2=O)cn1 735069587 WDCCONNONFAXEV-UHFFFAOYSA-N 445.548 2.495 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CC1CCS(=O)(=O)CC1 755546343 RGJKUUNJVFIVQE-SFHVURJKSA-N 449.598 2.420 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)cc1 755932318 LAZYDLYBBVWMFU-CQSZACIVSA-N 442.538 2.459 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCCC2=O)cc1 765038536 VWSPTNCWNBORMV-INIZCTEOSA-N 440.525 2.058 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 767798442 ZYRVTJSREKCLRG-SJORKVTESA-N 448.545 2.328 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3OC)c2=O)cn1 772279844 XCGSBDIHLKADGI-UHFFFAOYSA-N 432.505 2.077 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 783012480 QUDYAGGOGDTMIJ-WMZOPIPTSA-N 445.944 2.430 30 10 IEEE CC(C)=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 790714306 SMBXLOCUFQCDPD-SFHVURJKSA-N 432.546 2.381 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 790843243 SGRSCWGCVQFVAP-ZACQAIPSSA-N 438.546 2.223 30 10 IEEE C[C@@H](CC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)/N=C1/NS(=O)(=O)c2ccccc21 802321543 AUPADTNWPXPQPG-XIRDDKMYSA-N 441.557 2.174 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1)c1ccc(Cl)cc1F 807327714 DMDJHVRFKJPCDI-MRXNPFEDSA-N 434.855 2.403 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 812177361 DLZJVRBXULCHTP-INIZCTEOSA-N 444.540 2.083 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCCc1nc(-c2cccs2)no1 913230308 RRDPECAOOYKZPA-UHFFFAOYSA-N 432.483 2.013 30 10 IEEE CCCn1c(=O)n(CCC(=O)NS(=O)(=O)Cc2ccccc2C#N)c2ccccc21 916178112 KIFWXFKMKKKFLO-UHFFFAOYSA-N 426.498 2.121 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)C1 916898362 AKGRQEKBNAVBPN-DOTOQJQBSA-N 430.486 2.040 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 918584430 NGCZZKWMLPPHHU-UHFFFAOYSA-N 445.541 2.120 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)c(C#N)cn1CC 1130010229 AVYXGFJTPLHKST-ZIAGYGMSSA-N 443.504 2.242 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 1130626721 OASZFIVUWHCVLE-UHFFFAOYSA-N 430.320 2.270 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)C1 1153859126 MNYXFPMZPUSLIJ-CABCVRRESA-N 432.431 2.370 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(OCCO)CCC(C(F)F)CC1 1157586278 JOAFHISQEQAJMA-UHFFFAOYSA-N 449.502 2.470 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC[C@H](c2cccc(Br)c2)C1)c1cc[nH]n1 1158649960 WRBIJDXVZZAOTE-AWEZNQCLSA-N 449.305 2.472 30 10 IEEE Cc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1 1167632454 CSFKETPBPXMATM-GOSISDBHSA-N 426.542 2.191 30 10 IEEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1179650564 GQNWOOUTZZNDHP-GRXQJBFDSA-N 439.578 2.056 30 10 IEEE C=CCOc1ccc(CC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1180001249 YXSVABHFEHWFQK-KRWDZBQOSA-N 429.517 2.130 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1 1181745278 CFHDCVBAFGNDBP-DENIHFKCSA-N 426.494 2.011 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(O)(c2ncnn2C)CC1 1197458621 JYMJMZKQEDSWTA-CQSZACIVSA-N 428.562 2.328 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCO2)cc1 1198217875 BMBLKGQZYJJKNY-QHCPKHFHSA-N 432.524 2.484 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)CC1 1215506161 GNCRGQMYMSDOPR-UHFFFAOYSA-N 435.575 2.211 30 10 IEEE CNC(=O)[C@H](CNC(=O)NCC#C[C@@H]1CCCCO1)Cc1ccc(C(F)(F)F)cc1 1230616191 KZKBTGHDBNXKAZ-WMZOPIPTSA-N 425.451 2.482 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286344742 JBJXBWWUPUWICY-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCOC2=O)cc1 1286459395 OPZJRABGCUCRCY-UHFFFAOYSA-N 434.500 2.375 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OC)CC1 1286489924 IDDRQEBZZSVMHE-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)C1 1286530991 GIRTVLZBTYKILA-UHFFFAOYSA-N 428.237 2.391 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1COCCO1 1286738925 JEQYIRKYPFWTFH-LJQANCHMSA-N 429.521 2.033 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286780562 OPDHQYIOXGULOS-PZJWPPBQSA-N 438.576 2.475 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286789443 GSRRYIJIHRFDAQ-SFHVURJKSA-N 445.589 2.255 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](OC)C(F)(F)F)C1 1286798550 LFFSPHKNPFAMAG-GJZGRUSLSA-N 431.459 2.263 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1286962272 YJDFKDQPDGWDCZ-JXFKEZNVSA-N 441.598 2.128 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1296286531 XRNBQQHLAIFTFO-ZJVMWOEPSA-N 449.555 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H]1OC 1300285259 ZGWRVWJBJVCRFI-QRFRQXIXSA-N 445.589 2.468 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC(C)C)C1 1300390863 BJGBRDMVDILJDK-IBGZPJMESA-N 446.573 2.392 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300445997 BHEVIDNHYZOYFO-IAGOWNOFSA-N 448.980 2.267 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300501264 IJHNNVDYGBGQSU-NRFANRHFSA-N 441.601 2.166 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCn1cc(CO)nn1 1300617322 YFDZWNOJDVRRMK-UHFFFAOYSA-N 444.337 2.341 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1300665318 ZCTFMWYNFRDSFX-SFHVURJKSA-N 449.559 2.412 30 10 IEEE C=CCCOCCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1301261953 MCHXDHHCWYRLHJ-NRFANRHFSA-N 448.656 2.400 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1301458622 DDBZEIPANZOWBL-DLBZAZTESA-N 431.541 2.161 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1301553655 QEUPUFKWLLFHIY-ROUUACIJSA-N 443.523 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(c2ccccc2C#N)CC1 1301587792 UFYPXWDJRQABMK-UHFFFAOYSA-N 428.562 2.030 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301611257 ACBLHVAWOJZCAD-MRXNPFEDSA-N 433.557 2.347 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)cc1 1303007726 WVAGGDMUJYLUMT-QGZVFWFLSA-N 441.285 2.120 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1304237785 CIFVHXAUNIWIFN-MRXNPFEDSA-N 445.593 2.051 30 10 IEEE Cc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)oc1C 1309151605 GUOBQZIONPYJRF-UHFFFAOYSA-N 439.335 2.432 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O 1311328873 WDJNBPKMIUCOLX-OAHLLOKOSA-N 435.531 2.195 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312612697 PWEBZSYULQLKGL-IKGGRYGDSA-N 437.537 2.019 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C)CCOCC1 1314393345 GMYKAWDHYCMAEL-KRWDZBQOSA-N 440.552 2.008 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1314773943 GWRHJKDSEFISLV-UHFFFAOYSA-N 428.884 2.050 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358884122 JAHGEQQMAWOCHX-RBUKOAKNSA-N 447.543 2.084 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)N(CC)CC)cc1 1358968635 TURQQYFUISNITE-UHFFFAOYSA-N 434.544 2.019 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1359098951 HZLHEINSHURADA-FHWLQOOXSA-N 432.569 2.005 30 10 IEEE Cc1nc(=NC(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1361055751 QEUBKYJWBXXWKC-LEWJYISDSA-N 432.532 2.055 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1438910430 YRAFOLZFWSCXDX-NHYWBVRUSA-N 437.290 2.448 30 10 IEEE COc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)c1 1456138080 APLSJHROHJQHHX-INIZCTEOSA-N 439.903 2.317 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 1463839018 JKFIEMIXWDTIRV-UHFFFAOYSA-N 449.298 2.204 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC)C1CCOCC1 1470868389 YOWWTBABXFIXDM-RDTXWAMCSA-N 439.350 2.336 30 10 IEEE CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)c1ccc(OCc2ccccc2C#N)cc1 1471852871 KVQOYPMXRLQBRV-UHFFFAOYSA-N 428.452 2.151 30 10 IEEE Cc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1NC(=O)c1ccccc1F 1472369365 CGCUVHKNHACOTB-UHFFFAOYSA-N 447.426 2.218 30 10 IEEE CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1475064851 DELNERSPRLGEHV-UHFFFAOYSA-N 430.368 2.488 30 10 IEEE CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1501532166 PGVDTDNGZHHSDO-QIEZACGCSA-N 446.552 2.080 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1c(C)nn(C)c1C 1503104401 DOHZUEKFMMRZPK-UHFFFAOYSA-N 434.548 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)nc1 1507538770 XDFOGROGRNOSAF-INIZCTEOSA-N 428.500 2.376 30 10 IEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1507628408 OIGCJLHLCBEPAE-IBGZPJMESA-N 442.585 2.394 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507633377 DEXQJLIQZRJMKN-LJQANCHMSA-N 427.574 2.327 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507634609 OAPQSDSHDIOXCB-LJQANCHMSA-N 435.638 2.368 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)cc2)CC1 1507738060 IXRPEAYPJNWQJQ-UHFFFAOYSA-N 431.544 2.196 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(OCC)CCCC2)CC1 1507740227 YSBMNDFJRWSRCI-FQEVSTJZSA-N 443.592 2.487 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507922490 BRCRTVJNRHEOBO-UHFFFAOYSA-N 432.594 2.384 30 10 IEEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1507987718 AMFYHVGHGBSYDG-LJQANCHMSA-N 426.546 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1508072802 KLXYXGPSPJGNQS-ZHRRBRCNSA-N 443.573 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)CC1 1508129830 CXPASBGBEAFBDV-INIZCTEOSA-N 432.550 2.153 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccc(C)c1 1508143355 YCIFWZPWJBEBLF-OALUTQOASA-N 443.573 2.480 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508160527 VMEXLGPYVIDGMJ-KKSFZXQISA-N 448.593 2.253 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCCNC(=O)c1cccc(O)c1 1508423571 JUFIRGSELZXOGL-QGZVFWFLSA-N 433.516 2.385 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H](C)c1ccccc1 1509695981 OYANSYYFFICALO-HKUYNNGSSA-N 426.521 2.313 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(OCCN(C)C)c1 1511883833 AAFVPOWDNSXVKO-UHFFFAOYSA-N 446.559 2.169 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1n[nH]c(C)n1 1513313701 DVSKHYYGYJDJOC-UHFFFAOYSA-N 435.536 2.374 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1 1519528510 AMXOEFQEWZHQFY-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE COCCS(=O)(=O)CC(=O)Oc1c(Br)cc(C#N)cc1Br 1526627183 WIXJSHAEDDWIBZ-UHFFFAOYSA-N 441.097 2.050 30 10 IEEE C#Cc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1533825888 HXQSPYZYXSRCAP-FQEVSTJZSA-N 427.482 2.436 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539231004 RYXIAIYTHJYQFA-GOSISDBHSA-N 446.573 2.217 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(C)nn(C)c2C)CC1 1539436144 KXYRJDGWTHGQJF-UHFFFAOYSA-N 449.559 2.116 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539750386 MTUIXZGNDAHJCA-QFBILLFUSA-N 448.545 2.007 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1539915911 GKLAHDUBQDTKOF-CQSZACIVSA-N 435.541 2.305 30 10 IEEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1540550047 GPBJFDUYLOBCDC-IHPCNDPISA-N 430.549 2.259 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3ccc(Br)cc3)CC2=O)cn1 1543289415 UZNKSBDYFZHNFD-YOEHRIQHSA-N 446.305 2.026 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367795 OJROCLJXAAYYSP-GOSISDBHSA-N 431.418 2.358 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1554422500 LGJFLNTYPUXVGE-IRXDYDNUSA-N 430.459 2.203 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1554980192 VLVALIVYVSAOPM-IRXDYDNUSA-N 435.431 2.019 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cn2ccccc2n1 1555637939 YUXNIWXTDQCQPD-HRAATJIYSA-N 427.484 2.334 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1556411984 LLEDFNFEUKOZBR-DJIMGWMZSA-N 430.364 2.096 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 1557184498 NTVJQHJQJJWVPY-MPGHIAIKSA-N 435.546 2.051 30 10 IEEE COC(=O)c1ccc(F)c2c1CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1564530597 FZIBMUFYXPAYIF-UGSOOPFHSA-N 446.479 2.439 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1564544206 CRLYIYBDASAKQD-QGZVFWFLSA-N 433.472 2.276 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)N[C@@H](C#N)C2CC2)c1=O 1565655361 LSVMCKPEUQCHCE-AWEZNQCLSA-N 439.310 2.167 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1566336442 XVPSKRUMIFMGDS-HNNXBMFYSA-N 433.258 2.148 30 10 IEEE COCCOc1ccc(-n2nc(C)c(C(=O)N3CC(Nc4cccc(C#N)c4)C3)n2)cc1 1586079742 YFVCSXNOYZFWAM-UHFFFAOYSA-N 432.484 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1587581031 UMRPDZNVIVZFFV-HNNXBMFYSA-N 441.561 2.201 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1587608616 CSXPXIPZZFCAEV-AWEZNQCLSA-N 430.559 2.146 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588049409 GHKHNKHIKLMGCU-QUCCMNQESA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCS1(=O)=O 1588144074 SCYBRZVQYGELJA-MRXNPFEDSA-N 432.496 2.187 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)CN(C)C1=O 1588581152 IJRZVHXBWDWCKV-HXUWFJFHSA-N 446.349 2.272 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cccc(C(N)=O)c2)n1 1588695825 IHYDYACGDPBPDN-UHFFFAOYSA-N 449.559 2.206 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C2CC2)N(C)C)CC1 1588761970 DBGZGBLNPBLYDA-JOCHJYFZSA-N 438.576 2.058 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C/C=C/CC)CC1 1588891007 KSBMGPLKOPGPOF-NDEDVSTASA-N 429.565 2.251 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1589060208 OOEBHBZPAZRGOO-WIYYLYMNSA-N 430.578 2.372 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1589110265 RZUGAWJSCZMNLH-QGZVFWFLSA-N 441.557 2.043 30 10 IEEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1594247833 QTQSZWPWHQNWSV-QURGRASLSA-N 433.516 2.193 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1)c1ccccc1 1594534642 NCNJQGVELPNXFD-PKOBYXMFSA-N 433.578 2.475 30 10 IEEE N#Cc1c(CCCNC(=O)c2cncc(N3CCCC3)n2)nn(-c2ccc(F)cc2)c1N 1595542881 VZTNPCJKRFCCRH-UHFFFAOYSA-N 434.479 2.218 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1595544160 FSKKVRIOEVGHEP-IBGZPJMESA-N 446.502 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(COC)CC1 1595766085 LZIZZGSJLYTILP-UHFFFAOYSA-N 449.533 2.317 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)s1 1596424911 XQGTWYCMALGMSC-AWEZNQCLSA-N 443.591 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc21 1616347282 PEZUQILNKXSASL-MEUCICPISA-N 426.473 2.168 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1616458550 SBONFCVGJXDUBD-KRWDZBQOSA-N 430.505 2.484 30 10 IEEE CN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1617618435 ACIKJMKBOIQSSZ-UHFFFAOYSA-N 427.940 2.170 30 10 IEEE N#Cc1cccc(NC(=O)CN2CCC(n3nncc3I)CC2)c1 1620420872 UWQYEAMHTMIRLM-UHFFFAOYSA-N 436.257 2.030 30 10 IEEE CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)NC(=O)OC(C)(C)C 1628868235 WYHCOTZSKVYTCI-MRXNPFEDSA-N 427.498 2.402 30 10 IEEE C=C(C)[C@H](CC(=O)N1CCN(c2ncc(I)cn2)CC1)OCC 1631573433 RRSDBGHEMKFHEX-AWEZNQCLSA-N 430.290 2.101 30 10 IEEE Cc1cc2c(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)n[nH]c2cc1C#N 1632033233 FPOGQMBNILWFNI-INIZCTEOSA-N 439.497 2.453 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)O)C1 1634496790 UCYVDQUPAOLYAP-ZHRRBRCNSA-N 436.508 2.424 30 10 IEEE COCCN(CC#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1637300691 DRLIDEDRADXMDJ-ZHRRBRCNSA-N 437.496 2.273 30 10 IEEE C=C(CN(C)C)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1639981611 VLGQWLZSQFXBOW-HOCLYGCPSA-N 431.430 2.315 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 1640090774 UJQNETVRKJFVGM-KRWDZBQOSA-N 433.555 2.080 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c([N+](=O)[O-])c1 1643438227 LHENQDCCEOQVAS-ZBFHGGJFSA-N 438.506 2.155 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C1 1643888246 JHEQUBICZGBXDU-RDPSFJRHSA-N 449.486 2.202 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c1 1645434285 SKBHCFIUJPYUCG-GOSISDBHSA-N 447.557 2.260 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CSCC(=O)N(C)C)c(C(=O)OCC)c1C 1656644497 KYSDESCFABJDRL-UHFFFAOYSA-N 428.532 2.336 30 10 IEEE COc1cc([C@@H](C)NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1S(C)(=O)=O 1676808029 MRHNGLCKJLNBMF-RDTXWAMCSA-N 431.514 2.406 30 10 IEEE CC(C)(C)N1CC[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 1683410613 UERRBMNUQFIGNY-SFHVURJKSA-N 441.511 2.096 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1689851328 OSNNHZWKXFCTEA-SJORKVTESA-N 444.605 2.358 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1N1CCOCC1 1689972662 XIOLLGQBNRAGPY-UHFFFAOYSA-N 433.560 2.402 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689996694 MFYPEFMBCYUSEA-LJQANCHMSA-N 432.594 2.203 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689998525 OMLQIOSHDXMDGE-IAGOWNOFSA-N 447.561 2.054 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1690241316 QYCSRMFVMOLSIP-UTKZUKDTSA-N 441.532 2.222 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1690577816 NQVYDRDFKRMMKG-DLBZAZTESA-N 449.602 2.451 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2sccc2C)C1 1690685830 DXTKKKPOHARJAN-GJZGRUSLSA-N 425.580 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOCC2)C1 1690691911 NHQXGQQHPJAMTC-GOSISDBHSA-N 432.956 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690726751 KHKPVIBHTINJPW-ZWKOTPCHSA-N 436.603 2.394 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)[C@@H]1C 1693876280 NYHOMWSYOKTTGL-CVEARBPZSA-N 449.602 2.208 30 10 IEEE CN(C)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1696609431 AJRKLQXEHWDWLO-JOCHJYFZSA-N 434.479 2.482 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C1CCCCC1 1705545238 UFACWENBMVTVHS-UHFFFAOYSA-N 443.573 2.209 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705558657 DLUKVBXZTWAWKF-ZVDOUQERSA-N 443.548 2.046 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1705571166 WJUJBZQMXRCASZ-LJQANCHMSA-N 440.525 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1705580343 IOKATCVNSMWHTD-DEOSSOPVSA-N 432.528 2.299 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOC)CCCCC2)CC1 1705641529 JCQIPAYHPFUATH-UHFFFAOYSA-N 442.608 2.143 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705664773 ASJPDGJTVPQUHG-KZNAEPCWSA-N 446.621 2.119 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705789495 MVZXPFGSONLJIC-UHFFFAOYSA-N 441.580 2.356 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](SCC)C1 1705894811 MAGQIEXDPLCUPT-MRXNPFEDSA-N 443.577 2.340 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)cc(OC)c2)C1 1705914483 BFUMVVJBYLGISQ-WMZOPIPTSA-N 449.577 2.035 30 10 IEEE Cc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)sc1C 1706994945 DIOIFJBSZHJYJP-AWEZNQCLSA-N 443.558 2.120 30 10 IEEE Cc1nccnc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1707792251 FDVVBWYWUDKXEY-QFIPXVFZSA-N 431.504 2.397 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1712260780 CBULWZHBDNYXIN-OAHLLOKOSA-N 441.513 2.334 30 10 IEEE COCCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1712310016 AXWXLRFBFPPELS-OAQYLSRUSA-N 439.499 2.425 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1COc2ccccc2O1 1712459819 VGCVXMQQXTVXPW-IBGZPJMESA-N 434.500 2.470 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1722350006 JAZCDOSVJRMEHQ-SFHVURJKSA-N 447.543 2.003 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1722483090 HMOJIAHEPKFHAQ-UHFFFAOYSA-N 444.330 2.074 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722511203 XRMRNXVBLRJSLC-RXVVDRJESA-N 445.589 2.259 30 10 IEEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1722596034 BFSHOVSCKLWIEO-FQEVSTJZSA-N 438.576 2.374 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722599334 GTTNJHXIVNQTTG-DLBZAZTESA-N 425.599 2.376 30 10 IEEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722601069 UTALPSGZRUSSRV-HNNXBMFYSA-N 428.924 2.102 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722623950 OPZLNGNDLHSUNM-OXJNMPFZSA-N 441.532 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1722638841 PDIQILSNWBBWRA-UHFFFAOYSA-N 445.527 2.353 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnccn2)CC1 1722693208 GPRLKCPJQUBXLZ-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1722696870 BXZLRWRXDJYCDF-UHFFFAOYSA-N 449.559 2.186 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)C1 1722721398 JPFTZUVLXYSPGJ-MBSDFSHPSA-N 425.533 2.137 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 1722862732 DWVSYYAJUCVVNA-FZKQIMNGSA-N 437.342 2.447 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1723770386 AKMTWJYQNFMHQN-ZDUSSCGKSA-N 431.447 2.212 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1740613885 XEPXJEDRZVVOFR-IBGZPJMESA-N 444.486 2.154 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1740623104 OFPMTXSIPUDHDU-FUHWJXTLSA-N 444.557 2.258 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740623994 BSUOXRIOFASCEQ-WIYYLYMNSA-N 445.614 2.176 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1740626475 BBULEHSHLLSHAV-IBGZPJMESA-N 439.541 2.322 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@H]1C 1740682272 PLBOKRRXAQIMBP-YWZLYKJASA-N 449.349 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1740707211 UDYZLUIZUUMHFQ-FYYLOGMGSA-N 448.571 2.211 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740874414 SSKKFRPOCRDMJR-HOTGVXAUSA-N 428.541 2.024 30 10 IEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1742840409 AXXQCJLTXIXUME-UHFFFAOYSA-N 435.576 2.429 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)ncn1 1748289021 GUAPIIZGWFCJDH-SJORKVTESA-N 439.568 2.096 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1748987118 PUYJYSKAXSHHPE-UHFFFAOYSA-N 432.532 2.170 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1749075835 IDWCPRSSQOTSLV-IRXDYDNUSA-N 447.561 2.429 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCNS(C)(=O)=O 1749080470 NXMJRJWKCYPVKN-HXUWFJFHSA-N 449.602 2.120 30 10 IEEE C=C(Br)Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1749112108 BHCVVILEFYYVJQ-SFHVURJKSA-N 443.342 2.228 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C(=O)NC 1749424883 QUHYQZFYDMMVFS-HNNXBMFYSA-N 433.582 2.023 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1750060072 DCPNJISLRJJQTN-ILXRZTDVSA-N 438.529 2.091 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(C(C)(C)C)no1 1751224362 PCYRSPSSFQXYOH-VBKZILBWSA-N 449.581 2.352 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC1CC1 1751238197 IWMOGTJOGIHFRL-LZQZEXGQSA-N 428.562 2.432 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760157215 IMCPVNCLFHKUQU-KRWDZBQOSA-N 442.589 2.376 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1760207424 JAJIMCKZKJESCV-UHFFFAOYSA-N 444.539 2.450 30 10 IEEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1Cc1ccc(-n2cncn2)nc1 1760238096 IJOALOXXOCLTLL-UHFFFAOYSA-N 428.500 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(C(C)C)C(C)C)CC1 1760267828 BUVQZAKEWBNLJD-UHFFFAOYSA-N 437.592 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2csc(CC)n2)CC1 1760271653 FQDCJKBJFBGQBE-UHFFFAOYSA-N 426.590 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760316034 LKQJGWMTBQJRBA-UNMCSNQZSA-N 430.597 2.092 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760321593 IIWWMSISEROTKM-XJUOHMSHSA-N 446.640 2.053 30 10 IEEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760435658 QLTDSGAFDWTSTO-UHFFFAOYSA-N 440.548 2.093 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)n1 1761984754 IDHXLXCALUKIJW-KRWDZBQOSA-N 433.516 2.375 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1764127245 FXGXGQAUXAQIOB-PMACEKPBSA-N 437.589 2.076 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1768762264 GMAJYARMZNHWMT-BSBNDGSWSA-N 434.504 2.054 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1770502191 PBGJTMPATGWUJE-JOCHJYFZSA-N 436.472 2.080 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCCOC(F)(F)F)c1 1771530160 CEHLOWWQMKNKGC-HOTGVXAUSA-N 434.422 2.458 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2Cc2nccc(C(F)F)n2)cc1 1771533205 CTTFPGJVLDUEDK-UHFFFAOYSA-N 429.456 2.161 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)ON3C(=O)c4ccccc4C3=O)nn2)CC1 1772787033 UGOXUHSJINRXLT-UHFFFAOYSA-N 441.444 2.218 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1772842502 CRIHCJLJNNYYEP-MRXNPFEDSA-N 449.515 2.308 30 10 IEEE N#CC1CCN(CCNC(=O)[C@@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)CC1 1850430201 ANLFXSCOHJHKSX-LJQANCHMSA-N 440.466 2.310 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CC2)CC1 1850444589 WAGBCMGGSZTKFF-KRWDZBQOSA-N 444.482 2.318 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)Nc2ncc(C#N)cc2Cl)CC1 1851274850 KTCYXCPTEIYKOV-UONOGXRCSA-N 433.896 2.261 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)CCN2Cc3ccccc3C2=O)cc1 1852158044 VIKFJYZUZYQEKN-QFIPXVFZSA-N 449.507 2.227 30 10 IEEE CC(C)N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C(=O)C1 1856308483 OHOZZOWLHJPYTL-SFTDATJTSA-N 428.558 2.031 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4cc(Cl)ccc4C3)CCC2=O)CC1=O 1857069451 ULJGLYCWFFALJF-APWZRJJASA-N 429.948 2.498 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(=O)O)cc1 1862414921 LLOMSFQYOYLMOI-SFHVURJKSA-N 444.390 2.377 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862678259 OXFUGFCRUGWGRK-LJQANCHMSA-N 428.416 2.254 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862703001 BDBFASKCUTWQCL-LJQANCHMSA-N 439.424 2.318 30 10 IEEE CCCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868795176 JLESKMMJKFWLTN-UXHICEINSA-N 445.633 2.474 30 10 IEEE C=CCn1c(C(=O)NCCCOCC)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873591872 VLDQDCVLSHYKQH-UHFFFAOYSA-N 429.521 2.117 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(C)ccc1O 1874338414 VUDLKLJOUSRCOE-PZEXIZOFSA-N 431.518 2.164 30 10 IEEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)n(C(C)C)n1 1889322929 DYDIXROZQHSBLM-UHFFFAOYSA-N 429.609 2.423 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900467805 UZJXXVSTFMXQNH-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C=CCC1(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1910942387 FEKSTKNIBREPDL-HZPDHXFCSA-N 439.553 2.286 30 10 IEEE C=CCC1(NC(=O)[C@@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1910963526 TVKREBVICPFPLH-HOTGVXAUSA-N 439.553 2.429 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(Oc1cc(Br)ccc1C#N)C(=O)O 1919733529 YADISUVMNQEMMS-SUMWQHHRSA-N 427.251 2.446 30 10 IEEE C#CCN(CCO)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1963778010 AGINBAVIJVRNPX-UHFFFAOYSA-N 429.561 2.390 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060640672 XNYHITPQGMELNN-UHFFFAOYSA-N 438.305 2.293 30 10 IEEE CCn1nnc(Br)c1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2124444896 KTOGFBFTQZYBJH-LLVKDONJSA-N 429.319 2.264 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666734 AQCCZNDSESZAEY-HOTGVXAUSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141668949 YJMKVUUBEBTMPL-HNNXBMFYSA-N 447.341 2.203 30 10 IEEE CC(=NO)[C@H]1CC[C@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164486810 HVMAPBVYWKXGQT-STXHMFSFSA-N 439.509 2.339 30 10 IEEE C[C@@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164487830 QIWXYEFFCQPMAF-QTMYYENXSA-N 437.493 2.044 30 10 IEEE C=CCn1ncc(N[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2190268231 FPSKMEFBHPZXRE-SFHVURJKSA-N 443.342 2.366 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1)Cc1ccccc1 2216012112 OZEQZZMMSIVXRG-CVDCTZTESA-N 428.533 2.154 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2231056108 XCJNTYORXUPCJO-UHFFFAOYSA-N 434.165 2.430 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2232318986 RFMGAROXIPGYHZ-BQFCYCMXSA-N 445.369 2.045 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCN)Cc3ccccc3)c(F)c2)OC1(C)C 2247876462 PPXGJTXWOKEFTD-UHFFFAOYSA-N 434.342 2.275 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247882977 XRQRZMDISKNNHJ-AWEZNQCLSA-N 440.371 2.177 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2247920888 FUWJDRFKAHYTHN-HOTGVXAUSA-N 425.363 2.303 30 10 IEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247953150 SGLFRMKCCZCYIL-UHFFFAOYSA-N 440.371 2.179 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2255625656 VCGLAFRQRIYKGN-LRTDBIEQSA-N 449.382 2.490 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256913140 DOZCWQMUPMUWJA-QGZVFWFLSA-N 444.362 2.362 30 10 IEEE CC1(C)OB(c2cnc(N3CC(NC(=O)C(F)(F)F)C3)c(C(F)(F)F)c2)OC1(C)C 2260200093 PMYQZQCOUYLVPQ-UHFFFAOYSA-N 439.165 2.267 30 10 IEEE CC1(C)OB(C#CC(=O)N2Cc3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)OC1(C)C 2267096881 WBEONNOINYNXSN-MRXNPFEDSA-N 436.239 2.253 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267224136 KMIRMYJGBQSTGN-HUUCEWRRSA-N 443.353 2.318 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267515265 LXFIPNPUFQSMPA-RZLSGREXSA-N 446.357 2.131 30 10 IEEE Cn1nc(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267537454 QANKZILXAAUNSR-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267547048 FRMPBCIOQVOKLC-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC2CN(C(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)CC1 2267563691 PNMXESVLAHRZSZ-ZWKOTPCHSA-N 449.401 2.480 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873046 NBRQZPOMIALXAF-LJQANCHMSA-N 436.365 2.370 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2267877070 RCFNSJYEKFZPMB-HNNXBMFYSA-N 446.357 2.199 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2296221436 IPFRHUJZKFJBBU-RCCFBDPRSA-N 439.350 2.385 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 2315612003 UNUPNLUAQQGGEB-SFHVURJKSA-N 425.338 2.133 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@@H]1C2 2334269973 RXTXZARGCSDGFT-HLFMIMNKSA-N 448.325 2.133 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2342885236 ZJOKNBKPGRUFGG-IRXDYDNUSA-N 444.385 2.486 30 10 IEEE C=C(C)CN1C(=O)COc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc21 12232446 HYALTKCMQMCFDI-UHFFFAOYSA-N 429.498 2.491 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)cc1 58994148 OFABXXBXDOCQDX-UFFVCSGVSA-N 428.474 2.079 30 10 IEEE CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433000797 GQSKIAABIUXTLV-INIZCTEOSA-N 441.395 2.111 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)cc1 507340092 LERJVPVHUXJOHP-QFIPXVFZSA-N 430.574 2.319 30 10 IEEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 507523413 AGZNSLLCOKJDJI-MOPGFXCFSA-N 444.557 2.383 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 525266092 MVUJRYMDPOGUSA-UHFFFAOYSA-N 432.505 2.384 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C#N)cs2)c1=O 530654368 CXAIKAXWRGCBJF-UHFFFAOYSA-N 429.592 2.468 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C 542726912 FITHOFBUXPWEOL-UHFFFAOYSA-N 435.461 2.058 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CSc3ccccc3OC)n2CC)CC1 555004582 LWQZQCAWFOUBSB-UHFFFAOYSA-N 430.578 2.023 30 10 IEEE CCNS(=O)(=O)c1ccc(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 564075847 AKSCTNASWHNNSM-UHFFFAOYSA-N 430.530 2.215 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc(OC)c1OC 577736327 HTJOHLQXTBNJMQ-CYBMUJFWSA-N 428.445 2.452 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 586297522 COEXSEDQNHNEOS-PMERELPUSA-N 441.534 2.482 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 610078457 MLXRDXIDNDHQRN-IBGZPJMESA-N 444.944 2.323 30 10 IEEE C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1cccc(C#N)c1 610386800 MLAYCMUJNORELV-DNVCBOLYSA-N 441.509 2.327 30 10 IEEE CN(C)CCN(CCc1ccccc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733756511 ANQFVTQLDHPPNM-QFIPXVFZSA-N 447.539 2.396 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCCCC2)cc1 741341059 HNGRVFPXGDNYIX-DQRAZIAOSA-N 426.473 2.075 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Cl)c1 749313143 KXSQCJVTOHQLED-CYBMUJFWSA-N 443.909 2.260 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)CC2)c1C#N 763606693 OMDKPMFGOKBHRO-CRAIPNDOSA-N 445.568 2.077 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768044590 INPOXJJPKFHIJT-XXFAHNHDSA-N 440.369 2.432 30 10 IEEE C=CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 779756564 SLMWAHFDGHMITO-HNNXBMFYSA-N 442.501 2.043 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 787058171 IDHZCZCLJBUXQY-ZFWWWQNUSA-N 442.378 2.251 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)[C@H]1CCS(=O)(=O)C1 792309059 JBLRDFXNGFAKED-HEHGZKQESA-N 429.311 2.276 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 798020222 XYFRODLMWZCFES-CABCVRRESA-N 435.452 2.389 30 10 IEEE Cc1cc(I)cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 804647855 DHVGNMARLAPAIM-NXVVXOECSA-N 425.226 2.455 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 808200305 LLJMWXRXJZQECC-YJBOKZPZSA-N 427.505 2.267 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2ccc(C#N)c(OC)c2)C1=O 809944249 TYOWULNSVDCFQO-KRWDZBQOSA-N 439.497 2.238 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 810088073 SCQDWARADLQDFU-VMPITWQZSA-N 432.527 2.020 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)F 810332140 JLWNESOCNYYGSO-HNNXBMFYSA-N 427.427 2.494 30 10 IEEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1cccc(OCc2ccccc2C#N)c1 811139618 DUENUUPERJRGHM-UHFFFAOYSA-N 430.482 2.396 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nn2c(O)nnc2O)c1 816732439 HCMVRAXXHGXTSV-UHFFFAOYSA-N 449.876 2.108 30 10 IEEE COc1cccc(-n2ccnc2SCC(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 916775543 VUGBUBUOKPOBPY-UHFFFAOYSA-N 442.522 2.491 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 917924296 YESBHVRMXWIERL-UHFFFAOYSA-N 425.388 2.086 30 10 IEEE CC(=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccncc1 1084600612 ICZSIEFICCVMSY-UHFFFAOYSA-N 425.474 2.173 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(Br)c(F)c1F 1131882685 FMOZQHVLIKYWNC-UHFFFAOYSA-N 444.257 2.082 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)c(CCO)c2=O)n1 1138607064 IUSITIPVMHPSAK-UHFFFAOYSA-N 440.548 2.336 30 10 IEEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cn1nc(Br)c(Br)n1 1139806038 WMHATBCYFRWRKN-LLVKDONJSA-N 425.084 2.478 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)N(C)C2CCCCC2)s1 1147045267 VQODQXZLLHQMEA-UHFFFAOYSA-N 427.592 2.004 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1157760616 MZXWJCFZGHPXOQ-JKSUJKDBSA-N 432.546 2.034 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)OC(C)(C)C 1286365777 JDCZFZWWBLSFPF-UHFFFAOYSA-N 447.561 2.333 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1286437902 NQTZBWLGUGZTCX-QGZVFWFLSA-N 438.557 2.267 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286443460 HOBPYAHWFHRASV-IRXDYDNUSA-N 442.564 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-c2nc[nH]n2)cc1 1286468825 LHDKHFGKUFVLQF-UHFFFAOYSA-N 445.531 2.059 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)cc2)CC1 1286477178 QPSAFLWGDYOPBZ-UHFFFAOYSA-N 430.560 2.385 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN(CC)C2CC2)CC1 1286484082 HIFROAPJCMAOQP-UHFFFAOYSA-N 426.540 2.236 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](COC)OC 1286516977 BCTRWNVSTMIQGW-DYESRHJHSA-N 432.546 2.002 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286548473 OJILLGRZTFISJU-CWRNSKLLSA-N 426.359 2.195 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)C1 1286561196 AIEXCFNEYZTXRN-GCJKJVERSA-N 425.533 2.425 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286602997 IJNLJPGUHQGJRP-JOCHJYFZSA-N 441.557 2.424 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1286619327 ABWLGMDAQCCDMV-LIRRHRJNSA-N 437.953 2.277 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1286746039 NMMXDOKVNZVDPX-IBGZPJMESA-N 443.573 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286820361 KDYNHAWEUFCPBJ-CEXWTWQISA-N 438.594 2.026 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCCO1 1291279146 JERZFDJWLFOHKC-HTAPYJJXSA-N 427.505 2.149 30 10 IEEE CC(C)([C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(F)c(F)c1)N1CCCC1 1296230651 ZNSANOPOAXZARQ-LJQANCHMSA-N 445.470 2.221 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1300291220 SOQHNEFZVRXMFK-CVEARBPZSA-N 432.546 2.245 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCN1CCN(C(C)=O)CC1 1300324958 PLCZUBHURWQBDQ-LJQANCHMSA-N 438.576 2.042 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300403641 NEHNWFPPWFZLHI-UHFFFAOYSA-N 446.559 2.442 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1300499041 OUMOQVMHTMYBTH-UXHICEINSA-N 444.532 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCCC1(C)C 1300570164 XZNUJOBYHJIJMN-DEOSSOPVSA-N 444.543 2.325 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1300710747 JZAOHVWXGPLQGR-MXBUBSDBSA-N 431.581 2.105 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1300991766 QQENANXOOCZDEB-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(F)c(F)c1F 1302100262 XSCJKYCSHWBUCU-HIFRSBDPSA-N 439.438 2.391 30 10 IEEE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 1303383476 GGOYNVDAXNJPPD-JLCFBVMHSA-N 437.500 2.406 30 10 IEEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1304502174 DWQADNONGYQRQB-MSOLQXFVSA-N 446.577 2.043 30 10 IEEE C#CCN(Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)[C@@H]1CCS(=O)(=O)C1 1308614194 OLTZWZRKVLXWEI-GOSISDBHSA-N 436.574 2.460 30 10 IEEE C=CCONC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1312703631 ZASXGUHBQODYLW-UHFFFAOYSA-N 427.832 2.492 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 1312791644 YWSOUZJFZLYMEL-UHFFFAOYSA-N 447.948 2.302 30 10 IEEE CCCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1313484547 AYVORGJFNBHRCY-HNNXBMFYSA-N 440.552 2.381 30 10 IEEE CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1314637876 HSTVUIIXHVCSNV-FQEVSTJZSA-N 446.559 2.488 30 10 IEEE CO[C@@]1(Cn2c(N3CCC(CC#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1315280204 REFFZOMWQKWKQC-FGZHOGPDSA-N 433.553 2.254 30 10 IEEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)NC(C)C)cc(OC)c1OC 1315294210 CTBZJAGXDDRPDU-UHFFFAOYSA-N 442.520 2.235 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1(C)C 1315732541 CAIKKZMNHLONSS-UXHICEINSA-N 441.532 2.395 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CCO1 1315930949 ICHQZINBKZGSJO-GOSISDBHSA-N 442.520 2.193 30 10 IEEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1316009044 BBBATXXBPQWLMJ-UHFFFAOYSA-N 439.564 2.431 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)C1CC1 1316100853 BLWZGEDCCVNSQL-QFIPXVFZSA-N 437.504 2.121 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1316176522 SULSBVOGQMTHAS-YLJYHZDGSA-N 432.569 2.391 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCCO)C1 1316527474 LVHXUZIUBBZHPZ-NRFANRHFSA-N 426.452 2.441 30 10 IEEE C[C@]1(c2cccc(CNC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)NC(=O)NC1=O 1318490403 MXJHSPPMPVBHEL-XMMPIXPASA-N 446.511 2.035 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCOC 1358979818 YOQVJWACYKKGNV-SFHVURJKSA-N 431.537 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(CC)CC 1358992703 TXDZQSZKFNGPID-UHFFFAOYSA-N 438.532 2.117 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC(F)(F)F)C1 1359007564 NKPZREHSUYYXFE-AWEZNQCLSA-N 438.454 2.350 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCC(C)CC2)CC1 1359032313 KDLKIRVKHIURQN-UHFFFAOYSA-N 427.984 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1 1359094264 YXGJNGIIZWZNRZ-WMZOPIPTSA-N 431.518 2.403 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359202123 JWUYWJLPOZAYPK-FQEVSTJZSA-N 436.560 2.477 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359222881 VFMAAVSUNCTUGG-QLFBSQMISA-N 435.541 2.209 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1359259462 WSNIMIMSIVUTFA-WRHNGFHOSA-N 436.603 2.141 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1359300155 VLQLFSZERKTHGG-UHFFFAOYSA-N 430.582 2.115 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359331049 LWFDGRLYXVKKQY-CYBMUJFWSA-N 430.456 2.115 30 10 IEEE CN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nc2)CC1 1457539731 DOMCOJALQNUPQI-INIZCTEOSA-N 438.919 2.350 30 10 IEEE C[C@]1(c2cccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)c2)COC(=O)N1 1462510968 YRDNRPPTHDEWHZ-HXUWFJFHSA-N 428.470 2.086 30 10 IEEE N#C[C@@]12CN(C(=O)CCCCOc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1462996588 FAMSKEBUTRIQGV-KSSFIOAISA-N 441.347 2.395 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 1463742579 BWCBEPOQZGZRFX-UHFFFAOYSA-N 426.486 2.448 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1465909823 OCLKYGTYXZQAKN-DZGCQCFKSA-N 442.896 2.307 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(c3cnc4ccccc4n3)C2)ccc1F 1471662670 MPSMZGFMKPZZEF-UHFFFAOYSA-N 426.473 2.473 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1471933154 JGOORVJHACRFOI-YADARESESA-N 448.479 2.358 30 10 IEEE CS(=O)(=O)c1ccnc(N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1472891410 FPWPHMFKSZMTGX-RNFRBKRXSA-N 425.301 2.487 30 10 IEEE N#Cc1ccc(F)c(CNS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)c1 1475016707 HBACXKADQREESZ-UHFFFAOYSA-N 430.230 2.176 30 10 IEEE C=C(C)CONC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1478908359 KYYZZLWGNJHETD-CQSZACIVSA-N 432.340 2.409 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccco1 1503476017 CDWHXFBSKDFXMH-HSZRJFAPSA-N 434.500 2.409 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504562232 DKOJDJIYTKPZFE-INIZCTEOSA-N 449.563 2.171 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCn2ccnc21 1504887196 OENSDCUSLWTHEE-LJQANCHMSA-N 437.552 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(CN2CCOCC2)CCCCC1 1507664504 AHJBSQPRGQAPPO-UHFFFAOYSA-N 449.603 2.424 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cnn(CCOC)c2)CC1 1507722896 NECKUPZORPEVQW-UHFFFAOYSA-N 439.951 2.245 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1507723298 CODKTAIUHZQEJK-JOCHJYFZSA-N 428.625 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1508071155 BORFYZJWYFZCRH-SFHVURJKSA-N 440.548 2.141 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CN(C)C(C)C)CC1 1508086455 ZAWINWSWTAICGJ-UHFFFAOYSA-N 445.637 2.493 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C(C)(C)C)no2)C1 1508122019 BUNBPKBFLDHNQG-CVEARBPZSA-N 449.577 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CCC)C1 1508133934 POXDPKDOXXJHMW-SFHVURJKSA-N 449.533 2.459 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(N2CCOCC2)c1 1509618122 CZIAYUIZTMGQOC-UHFFFAOYSA-N 437.548 2.041 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1516808485 MTWXCHRJSYCPFM-LBPRGKRZSA-N 443.371 2.077 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(Br)cs2)cn1 1517375376 ICLPJMLGKQBACK-ZDUSSCGKSA-N 434.323 2.280 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1517624585 DISMVMQWPPCGEU-UHFFFAOYSA-N 449.540 2.055 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1518758166 UFUQAJQVHVXFSA-SFHVURJKSA-N 428.512 2.496 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)c1ncc(C)s1 1519449126 KMMRHKKGPZBMGX-LLLHUVSDSA-N 432.550 2.300 30 10 IEEE C=CCCOCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1521091809 QTSHGKZHQVEAST-OAQYLSRUSA-N 428.526 2.043 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NC1(c3cccc(C#N)c3)CCOCC1)C2=O 1533082320 AMIFTYKPETZMON-XHNJZIHCSA-N 438.528 2.427 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OC)c1 1539043833 UVFZHAZRRISLEE-LJQANCHMSA-N 446.511 2.290 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@H](C)N(C)C)CC1 1539473971 GDJRGMXTGOWKMZ-SFHVURJKSA-N 445.571 2.409 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)CCC)CC1 1539474204 LIJZMUZHKHHRJN-XMMPIXPASA-N 439.560 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC)CC1 1539490707 ZNYWGLXIWJPCNX-HDICACEKSA-N 444.580 2.425 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COCC 1539538684 LPFCRAKFCDPDIP-HTAPYJJXSA-N 445.589 2.465 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1539774727 DKOKUCYAQGRAFC-CYBMUJFWSA-N 431.921 2.295 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(O)c2)CC1 1540039864 IJAWHMVUQOLRMM-UHFFFAOYSA-N 440.548 2.025 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540199097 WAWVVHXYNKTTSW-DLBZAZTESA-N 447.502 2.074 30 10 IEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCS(=O)(=O)CC2)cc1 1540878596 BSZWPUMESFJDAX-UHFFFAOYSA-N 439.541 2.112 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(CC)n2)C1 1540892949 UOJPKMIPOMWNGX-ZBFHGGJFSA-N 437.591 2.029 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccco2)C1 1540895820 ACHHFAKUHVCNFS-YZIUBNRHSA-N 432.521 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1540902767 PRTFZJUUAZCMKR-ZWKOTPCHSA-N 447.536 2.311 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)cc(OC)c1OC 1542479397 JZAKTLSJTSLVAA-STQMWFEESA-N 429.395 2.194 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCNC(C)=O 1545533936 VERGUXFQIRNLSL-OAHLLOKOSA-N 440.552 2.381 30 10 IEEE COC[C@@]12CCN(S(=O)(=O)N(C)C)C[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548367323 FRRXMHKDROKOFE-YJBOKZPZSA-N 446.495 2.158 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554235337 MHMLDICYXOFPMZ-UGNPLGLKSA-N 442.564 2.400 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1555198617 NFXBODSZMUPABU-NLWGTHIKSA-N 427.505 2.005 30 10 IEEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555346058 INYTYHGBVQJLFP-BSBNDGSWSA-N 440.504 2.236 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1558546974 XLHWFRWJNOWMEA-BBVFFXRHSA-N 425.485 2.440 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1560071888 QOOXGVAARNFQEQ-ROUUACIJSA-N 448.564 2.490 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)CC1 1565255191 RFSGJECVNORNMJ-PMACEKPBSA-N 432.590 2.144 30 10 IEEE C=CC1(CC(=O)N(C)CCCn2cnc3c(N)ncnc32)CN(C(=O)OC(C)(C)C)C1 1570455465 WDRDALOTXMAENU-UHFFFAOYSA-N 429.525 2.070 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1583308357 PLVUYRNTICYEOQ-MRXNPFEDSA-N 439.553 2.249 30 10 IEEE C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)c1ccc(Br)cc1 1583566588 XJFYBGYNBCOVHO-OAHLLOKOSA-N 427.218 2.437 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1585916296 AFZZHECHFFNBHV-VQTJNVASSA-N 429.565 2.068 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587773750 UATJQBYSPBPKCI-HXUWFJFHSA-N 440.569 2.308 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1588266777 VOULDNYRFLIZCF-MRXNPFEDSA-N 433.578 2.334 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1588459190 NTXUYIGRUNBOJJ-KSFYIVLOSA-N 430.553 2.288 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O 1588574389 GRKJLSVCAFNBAL-ZHRRBRCNSA-N 429.496 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)nc1 1588595583 WOCHSMWQWZZUPW-UHFFFAOYSA-N 439.541 2.186 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1594566168 APXHZVSQIUNIFI-DOTOQJQBSA-N 435.598 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC=C(COC)CC1 1595811828 CEIFDOUYEVUSDH-UHFFFAOYSA-N 437.591 2.018 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595906134 YUCPQLPBNHSIJL-LAUBAEHRSA-N 437.610 2.200 30 10 IEEE CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597371370 CUULCHLGZJQUGW-JTSKRJEESA-N 425.510 2.445 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CC1 1611638906 SDZZURRRBUAXKV-KOMQPUFPSA-N 439.497 2.391 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1620038535 UWTIWLADDPMTEH-JTSKRJEESA-N 442.495 2.053 30 10 IEEE C#CCN(C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1626435034 RYJYSIUUFRDHBE-CYBMUJFWSA-N 427.548 2.072 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1ccc(Br)cc1C#N 1629122788 JVZHRWOCHONRPE-UHFFFAOYSA-N 436.331 2.430 30 10 IEEE CN(CCC#N)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1631253936 DUAQEYAJNBVJGB-UHFFFAOYSA-N 427.299 2.121 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1633294094 IOQVTEAKNHMEBE-YCRNBWNJSA-N 427.501 2.484 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C1 1638266179 IUJUSWHRTAMKGN-AEFFLSMTSA-N 435.391 2.453 30 10 IEEE CCCn1c(=NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)n(CC)c2ccccc21 1638577323 KTALGRXOKMIQTJ-UHFFFAOYSA-N 426.477 2.007 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[S@@](=O)C[C@H]3c3cnn(CC)c3)n[nH]2)c1C 1639899401 DNEGZJQKDQCULY-QPHCHLROSA-N 441.561 2.238 30 10 IEEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C1CCOCC1 1640925646 NFARNJXJHQIFSI-IBGZPJMESA-N 442.493 2.374 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](c3ncc(C(=O)OC)s3)C2)c1 1643976526 TYVIDONUQHIYQT-HNNXBMFYSA-N 426.498 2.439 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1645085637 SRPWQJPJQBBTOW-LJQANCHMSA-N 441.557 2.342 30 10 IEEE Cc1cc(Br)c2c(c1)CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1651185636 GMEAPKAXBDCJFO-UHFFFAOYSA-N 448.342 2.492 30 10 IEEE C=CC1(CC(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)CN(C(=O)OC(C)(C)C)C1 1653499408 AVWAIHVOXUIEKU-ZDUSSCGKSA-N 437.928 2.344 30 10 IEEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@@H]2c2ccc(I)cc2)CCC1 1654986768 QTKYTRJGVLDDJW-CVEARBPZSA-N 439.297 2.209 30 10 IEEE CNS(=O)(=O)C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 1655230864 YMLAZVWJWRRSEM-LSDHHAIUSA-N 438.619 2.334 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC2)c1 1676331295 LPBACOUOSZBTGV-OAQYLSRUSA-N 425.533 2.172 30 10 IEEE N#CCc1ccc(CNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 1680853050 GNQJSJJDOQJJJB-NRFANRHFSA-N 438.503 2.409 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 1683131409 STFOLRCQDHYERJ-HXUWFJFHSA-N 435.590 2.283 30 10 IEEE COC[C@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCCOC1 1685237834 XQEIRLQFGCDNNW-YWZLYKJASA-N 444.511 2.139 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCn1cc(Br)cn1 1689827143 AOEFGJLWHINPFT-KBPBESRZSA-N 425.331 2.119 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC(C)(C)N1CCOCC1 1689975274 QHLPBMJZMIGJMV-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cc(C)nn1C 1690005009 OFTKGNZFGSQMOB-UHFFFAOYSA-N 434.500 2.134 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccsc1 1690034444 IGLFRBQHKBDDKA-FGZHOGPDSA-N 428.558 2.362 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1690099876 OSBFRVNSSSGHAW-LJQANCHMSA-N 449.559 2.300 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 1690133315 BMCQDMDRLKUJGB-UHFFFAOYSA-N 441.551 2.457 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1690671049 OEJIMGPZJJZZPR-UXHICEINSA-N 425.533 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nccnc2C)C1 1690688351 UCRKVZSTHNJGDB-AUSIDOKSSA-N 442.564 2.441 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1690996013 SNZYSVHQFRZCRD-MRXNPFEDSA-N 444.561 2.138 30 10 IEEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1693182447 JIEXCZLDYZEVPX-LSDHQDQOSA-N 446.515 2.305 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)N(C)C2CCCCC2)CCOC1 1696046352 HZAVWZDPTWXZJO-QHCPKHFHSA-N 444.580 2.461 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)C[C@H]1c1ccccc1 1698495663 UXICSRPVFZDICF-IKGGRYGDSA-N 430.459 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1705580981 QMFZMHOVVJUBJL-UHFFFAOYSA-N 446.421 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](c1cccs1)N1CCOCC1 1705595305 NNJDKBGOSZQFNQ-HXUWFJFHSA-N 447.568 2.333 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)CC1 1705642601 ZZAHYRBHVMDMBQ-OAQYLSRUSA-N 447.587 2.216 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705698718 XSLQZWNZXVTJRU-RZFLPCETSA-N 436.509 2.097 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(CN2CCOCC2)CC1 1705745157 BEBXICXAAZJCMU-KRWDZBQOSA-N 427.977 2.303 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705826110 NZXXUQOTAUGODZ-LJQANCHMSA-N 442.564 2.182 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1705911179 AORYXGWHCLCJOW-IBGZPJMESA-N 427.549 2.431 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1706338040 VDBHHZLSPMCRQZ-LJQANCHMSA-N 443.573 2.239 30 10 IEEE CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1709556588 FBFGJTVWKUIDEF-QZTJIDSGSA-N 428.537 2.232 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1711132084 NOSVYSIWIUFWNE-UHFFFAOYSA-N 426.496 2.439 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1712611417 BNDMCUPQNWIRNA-FDDCHVKYSA-N 441.532 2.254 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCCOC[C@H]2CCOC2)c1 1712878780 RLEKNKFBOZQOSW-HXUWFJFHSA-N 425.533 2.469 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCN2CCOC[C@@H]2C)c1 1722310412 VNDRSFIGUZIPFO-SFHVURJKSA-N 436.560 2.323 30 10 IEEE C#CCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722341357 WPSUPFXBNSDGDT-XMMPIXPASA-N 449.559 2.325 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCO[C@@H]1CCOC1 1722358136 XMWYIGLZCMVGIN-FGTMMUONSA-N 433.553 2.314 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722371802 LQTFJQQCKXMGSF-ZWKOTPCHSA-N 448.614 2.278 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1c(OC)cc(OC)cc1OC 1722403436 QTUJOOOTQFHQEJ-UHFFFAOYSA-N 441.532 2.242 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 1722403648 ZEBJXMFUCJZYKU-UHFFFAOYSA-N 436.438 2.466 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1722417686 PLOVUWJQBCUYAI-KSZLIROESA-N 433.553 2.314 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1occc1C 1722422607 ZEZFSGYNIFZPDB-UHFFFAOYSA-N 428.514 2.384 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC(c2ccccc2)C1 1722429316 PPODIFMMRSKYGN-CKHPTIKVSA-N 442.585 2.460 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1722485206 YREUWGBPVKGSKF-CQSZACIVSA-N 428.331 2.359 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722509633 NVLWVYOBVGBMDQ-QFUCXCTJSA-N 445.589 2.259 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722556322 PUMXNVDCQCUINO-GFCCVEGCSA-N 440.875 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722694683 DSKIAFNAXDJWPW-QQMNAOGKSA-N 441.532 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCS[C@H](C(C)C)C1 1722729004 VQKRYUXWIZXOGU-IRXDYDNUSA-N 428.624 2.351 30 10 IEEE Cc1noc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)n1 1726435619 BBWOADUFZHGXFK-UHFFFAOYSA-N 435.492 2.380 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)Oc2ccccc2C)CCOC1 1728815750 FLGASQGWIADAKE-DNVFCKCGSA-N 441.532 2.435 30 10 IEEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1729233976 QAPQOJFFKPTINB-HZAQMHFWSA-N 431.562 2.217 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1740534947 LEHLTRBVZCKQJK-LAUBAEHRSA-N 438.594 2.134 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@H]21 1740592576 ZQLWCFQSOPGJNL-QRVBRYPASA-N 435.594 2.183 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740618535 IUKHNGCMRPGUSG-LJQANCHMSA-N 444.557 2.173 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1740621143 UFAIPWWNNAUPFD-GVDBMIGSSA-N 448.520 2.120 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1740674427 GLUPRDDCKYGDNK-UHFFFAOYSA-N 425.533 2.216 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1(S(C)(=O)=O)CC1 1740683216 YTYQTJKRGNBMDH-UHFFFAOYSA-N 439.541 2.157 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740710040 UZPLHQADFYGSHO-LEWJYISDSA-N 448.681 2.389 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1740794293 VZZUYAMLHUJHLQ-UHFFFAOYSA-N 433.582 2.078 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740955052 LAZKLOMJTIWTNB-IBGZPJMESA-N 430.516 2.236 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C(N)=O)nc1 1741132909 NFRDFIXCWHMKRA-CYBMUJFWSA-N 425.443 2.285 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C[C@H]1C 1746375225 FMDYKZAKQQANNJ-AQNXPRMDSA-N 437.592 2.456 30 10 IEEE Cn1cccc1-c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1748034593 AEURMRZHFIVUKL-KRWDZBQOSA-N 428.518 2.200 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCc2ccn(C)n2)c1 1748692104 RICCQDAQVCRMOX-UHFFFAOYSA-N 440.511 2.373 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@]2(CCOC2)C1 1748735065 NMXUDNHAZNXALT-IBGZPJMESA-N 434.338 2.455 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1748843078 ZSVPALUMZUHSCU-LJQANCHMSA-N 443.555 2.090 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccnn2)CC1 1749043177 AQKXUVXNMLYHDD-UHFFFAOYSA-N 440.602 2.117 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749223184 QXOGOZCOZYNKOY-UHFFFAOYSA-N 426.500 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)CC(C)(C)C1 1749741135 QMBWSTMMTBJXAN-SQNIBIBYSA-N 440.610 2.475 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1760206310 WEPKRARXOLLJSC-HXUWFJFHSA-N 438.553 2.090 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2nccs2)CC1 1760255830 ATTFPSUJKXPKRP-JOCHJYFZSA-N 444.605 2.163 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760282703 NCZBUVCFUOJZNC-QGZVFWFLSA-N 430.965 2.103 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)CCOC 1760294503 YYQACRFCOCSOLE-DHIUTWEWSA-N 436.516 2.374 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760303157 DTSKDDYZNJNOCS-SFHVURJKSA-N 447.293 2.478 30 10 IEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1760373592 XCFOEFJRCXUTJA-HNNXBMFYSA-N 444.923 2.186 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1760412614 OQXRWDLICJTMTJ-IXDOHACOSA-N 437.610 2.306 30 10 IEEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C)C1CC1 1760471843 LDPNFQXZIRKLON-UHFFFAOYSA-N 430.530 2.472 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1761451376 SXRDGPYMOLCCCY-WMZOPIPTSA-N 447.561 2.025 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1763038002 APBZCFFRWVHKGI-INIZCTEOSA-N 426.521 2.211 30 10 IEEE COCCCN(c1nnc(COc2ccc(C#N)cc2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1769710828 RLRSSJTWKKAUPF-GOSISDBHSA-N 445.545 2.094 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1770325995 ATZMFBWHQOOKEW-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE COc1ccc(-n2cc(CN3CCN(CC(=O)Nc4cccc(C#N)c4)CC3)nn2)cc1F 1848515562 GWPLINQOHSCWNZ-UHFFFAOYSA-N 449.490 2.043 30 10 IEEE Cn1ccsc1=NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1852773652 PYFNOSASUNTVIJ-NEPJUHHUSA-N 446.330 2.159 30 10 IEEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C[C@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1855161117 DESMMOBRFJVXRT-MSOLQXFVSA-N 430.574 2.396 30 10 IEEE COC(=O)c1ccc(OC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2COS(C)(=O)=O)cc1 1857781705 VNHXQYPCWIKHCN-HZPDHXFCSA-N 443.518 2.311 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)c3cccnc3)CC2)nc1 1858445661 GOFUDPKWCHGUAJ-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1859013420 VPGSKLCQSVAOQR-UHFFFAOYSA-N 447.469 2.477 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862599676 FLBXEHXKIYRCDT-IBGZPJMESA-N 442.468 2.255 30 10 IEEE C=CCN(CC=C)C(=O)CNC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 1868810108 BZQIVVDARXMAQN-UHFFFAOYSA-N 426.561 2.312 30 10 IEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CSC(C)C 1870259433 XKBSOVQJDBPECO-UHFFFAOYSA-N 442.545 2.170 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870395112 FTCKOIZXCUONPT-KDURUIRLSA-N 425.529 2.339 30 10 IEEE C=CCn1c(C(=O)NCCCCCO)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873593285 MRTZFGFYIJUEEM-UHFFFAOYSA-N 449.559 2.231 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccc1O 1874434381 BWMLECZSXPADNU-AUEPDCJTSA-N 449.496 2.443 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891327580 RNRYSCVCBRRWCN-LSDHHAIUSA-N 440.529 2.135 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2054378539 GWNAJNJMPOUICM-ZDUSSCGKSA-N 439.372 2.373 30 10 IEEE N#Cc1nn(-c2ccnc(O)c2[N+](=O)[O-])c(C(F)(F)F)c1I 2078913434 MJELWYULNIHOIT-UHFFFAOYSA-N 425.064 2.376 30 10 IEEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2195274400 XDVDQFVRHQMDFQ-DCXXXQMHSA-N 439.530 2.277 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1Br)C(=O)O 2237403328 TZVKZCJKDPBTBW-LSDHHAIUSA-N 439.306 2.478 30 10 IEEE C=C(CS(=O)(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2243415743 ASSOGONIPMQZQR-IFXJQAMLSA-N 428.360 2.103 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)B1OC(C)(C)C(C)(C)O1 2247960906 AHYLMRDSYNQZJK-OAHLLOKOSA-N 442.387 2.493 30 10 IEEE C[C@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2248416833 ZKBSMYKISMUPDK-GXTWGEPZSA-N 437.371 2.456 30 10 IEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630133 GHFOUYYZQYCVJM-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255633001 VEUIVLJAKVZMFF-UONOGXRCSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255693009 FBAQFGPRIJZHMH-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827936 ABNLSYBGCTYFFI-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256637340 TXZNWCNVJWJQSQ-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127765 LTTBHEVAPWHGMH-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267185651 YHKIBDCQNRKZEV-IBGZPJMESA-N 438.381 2.313 30 10 IEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1NC(=O)OC(C)(C)C 2267267377 WAWFDPFPWCJTAK-ZWKOTPCHSA-N 446.353 2.350 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267504187 OROQPCZKFPQLLR-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cc1ccc(CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701448 UYIRBUCYZZXMGU-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCOC[C@@H]3F)cc2Cl)OC1(C)C 2282833085 UXVPTDAHYBPKTE-QWRGUYRKSA-N 425.740 2.106 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2315643581 YKQCVBXAWLOSRF-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@H](O)C1 2317151309 PBSHWYYJPIYMAZ-ZWKOTPCHSA-N 429.326 2.250 30 10 IEEE COc1cc([N+](=O)[O-])c(C=NNS(=O)(=O)c2ccc(Br)cc2)cc1O 2323353166 SXVBWLSPQAHTQH-UHFFFAOYSA-N 430.236 2.384 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2336391990 LOMMBJLJFPKNKL-CQSZACIVSA-N 446.357 2.086 30 10 IEEE C=CCn1ncc(NC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2355253352 OITBJZHTCWUMIH-YRGRVCCFSA-N 443.342 2.268 30 10 IEEE CC1(C)Cc2c(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc(N3CCOCC3)c2CO1 21150632 WHKRGJVSCAUIEO-OAHLLOKOSA-N 446.573 2.028 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccncc3)n2)cc1OC 59023631 RLNHXGKRHCWHMJ-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE C=CCN(C(=O)Cn1c(=O)c2cnc(-c3ccccc3)nc2n(C)c1=O)c1ccccc1 65057410 GQFINYDMECOOEE-UHFFFAOYSA-N 427.464 2.376 30 10 IEEE Cc1cc2c(N3CCN([C@@H]4CC(=O)N(c5ccc(C#N)cc5)C4=O)CC3)ncnc2s1 435922155 IDJVHOPQTKSYBV-GOSISDBHSA-N 432.509 2.326 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)cc1 464902587 JZYXWHXPXHHLBU-GOSISDBHSA-N 437.399 2.342 30 10 IEEE CCOC(=O)C1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 471178716 TWSMHIXFKZPACJ-UHFFFAOYSA-N 438.528 2.353 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccc(F)cc1 477006920 ASLBUAICBOFVFH-UHFFFAOYSA-N 443.525 2.137 30 10 IEEE COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cnc(C)c(C#N)c1 489068987 IVXWDEJFUUWOAM-SFHVURJKSA-N 445.497 2.130 30 10 IEEE C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CSCC(=O)O 504720345 QRLZYWAWVZEQOG-GVLIRJLHSA-N 434.554 2.383 30 10 IEEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 506915830 WWEUGAOVFAIEOP-QZTJIDSGSA-N 448.520 2.214 30 10 IEEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 508918879 FXSWFHIWIDEAPU-OAHLLOKOSA-N 435.475 2.429 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 514685006 GCKKWMHHTBKJNF-GOSISDBHSA-N 435.480 2.009 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCO[C@H](CN4C(=O)c5ccccc5C4=O)C3)CC2)c1 514946721 QCTNHWRDRZGGAV-SFHVURJKSA-N 433.439 2.253 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 522386405 RDYNPPOVMVIQNK-KRWDZBQOSA-N 441.509 2.115 30 10 IEEE Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CO2 531663913 XVMVFGBSSRPFTK-GOSISDBHSA-N 426.498 2.016 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1C 535620640 IXSSOTRYKJKSRY-FQEVSTJZSA-N 442.479 2.221 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 536271509 KLVZSJJVTNXOIE-UHFFFAOYSA-N 425.456 2.436 30 10 IEEE CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(C3(C#N)CC3)cc2)c(O)nc1=O 537394284 LKMNEPXREWUHCR-UHFFFAOYSA-N 425.489 2.180 30 10 IEEE N#CC1(c2ccc(C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)cc2)CC1 538536645 AEEZBOGPWRPNRZ-UHFFFAOYSA-N 439.537 2.334 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC)CC1 555088791 ITRQBOVMPXKVIV-LJQANCHMSA-N 426.565 2.479 30 10 IEEE N#Cc1ccsc1C(=O)NC[C@H](O)COc1ccc(I)cc1 608986177 JBROAJQZSKXGNS-LBPRGKRZSA-N 428.251 2.394 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccccc2-n2cccn2)C1=O 726109443 AWPNLRJMOTWAPX-HZYJKNPPSA-N 448.552 2.446 30 10 IEEE CC(=NNc1ccc(Br)cn1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 727266177 LOBQPHPUKKADHS-UHFFFAOYSA-N 441.307 2.433 30 10 IEEE CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 730315320 BUQPSCBWGCETQW-HNNXBMFYSA-N 428.432 2.028 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1OC 733229592 DITXUOGTQBKCQQ-WBWVDOBWSA-N 442.516 2.493 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCc3cnn(-c4ccccc4)n3)C2=O)cc1 733829943 CCNPGSLHUIXEPN-LJQANCHMSA-N 430.424 2.087 30 10 IEEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 735771244 FGACSSAALLIOHE-LJQANCHMSA-N 443.481 2.353 30 10 IEEE N#C[C@H]1C(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)=CC(=O)n2c1nc1ccccc12 744423645 KWHCFFQZULEQOG-OALUTQOASA-N 433.512 2.327 30 10 IEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 747803565 XBHDHCSZCSCPRA-FCHUYYIVSA-N 446.507 2.177 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)[C@H](C#N)C1 749526321 WHFOCMCMMOPOLZ-CQSZACIVSA-N 427.910 2.085 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OC(F)(F)F)c1=O 758062693 VXEDQMATVSMCHO-UHFFFAOYSA-N 432.423 2.314 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2CC)C1 760305894 WAXANMCKOZPUPI-RDJZCZTQSA-N 431.562 2.120 30 10 IEEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4ccc(C#N)cc4F)CC3)C2=O)C(C)(C)O1 764966166 YEZPPHNPCXVMQI-QFIPXVFZSA-N 429.496 2.045 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765546154 VWYHLFWJHGPAFZ-IBGZPJMESA-N 442.589 2.318 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](C)[C@H]1CCCN(C(=O)OC)C1 775814242 XCYXIQGFNUAYCL-AEFFLSMTSA-N 433.553 2.408 30 10 IEEE Cc1nnc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)s1 779746475 VZNCXWYFDYEBPJ-MRXNPFEDSA-N 446.602 2.355 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)c1 779857214 LIDYUHATXINNNC-XMMPIXPASA-N 435.480 2.150 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780858471 IZPVIPIWGUNQJK-WIOPSUGQSA-N 448.523 2.481 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 782534150 CXWUTIMURCXPTN-AZUAARDMSA-N 436.478 2.410 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@H]2CCOC2)C1=O)NC1CC1 784127079 UIARLVXOHDQYDF-SCLBCKFNSA-N 431.514 2.442 30 10 IEEE C[C@@H]1CC[C@@H]1N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 795181295 AJRWEOLJDYTYBF-KCXAZCMYSA-N 438.513 2.334 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CCN1C1CC1 796810926 FKZZPBQSCUCVLT-LBPRGKRZSA-N 432.349 2.444 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 809210272 QESYCSWSGKLFCI-UZLBHIALSA-N 429.583 2.215 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@H]1CCCO1 917767621 BDHQKPSNMFUXHH-GOSISDBHSA-N 433.533 2.365 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](C[C@H]3CCCO3)C(F)(F)F)C2=O)cc1 1130475157 ISMYJCYAWCDYBY-BZUAXINKSA-N 438.406 2.379 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)C2=O)cc1 1130475159 ISMYJCYAWCDYBY-XHSDSOJGSA-N 438.406 2.379 30 10 IEEE COC(=O)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCCC1 1133608981 POWHSWYYORMJBQ-MSOLQXFVSA-N 426.473 2.001 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CN(c4ccc(F)cc4)C3=O)C2)C1 1138154264 HULFUAYBDLCABV-HPSSACDVSA-N 442.491 2.444 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 1141550624 GEKCOWUAVNJDSF-APWZRJJASA-N 432.590 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1143166263 BMBQQNFVDCHYJT-QFIPXVFZSA-N 432.496 2.108 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 1143720422 SJICCGTYNQPLTH-CQSZACIVSA-N 436.896 2.349 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC 1152035766 NKIQHTXAURAQFD-PMPSAXMXSA-N 426.510 2.189 30 10 IEEE COc1ccc(C(=O)NCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1OC 1164154973 HEQATCZXHQKCTQ-UHFFFAOYSA-N 436.512 2.086 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1286278481 OCQGRHMOKIDQFL-CVEARBPZSA-N 447.609 2.067 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1CCOC1 1286438344 XYKBGGYQDXCCPV-QGZVFWFLSA-N 430.578 2.433 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1286441829 WBFGKMJZFLCKON-UHFFFAOYSA-N 432.322 2.026 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1286516196 YHVBRLDGIFUIGO-PMOQBDJRSA-N 431.581 2.032 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1CCCO 1286519125 RKMQMOAQYPSIJB-TUACAJSNSA-N 445.608 2.158 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286562072 QCTWAXLQLCZZHL-RLLQIKCJSA-N 441.580 2.401 30 10 IEEE C=C(C)Cn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1286599251 RIQDMPYGZPCWLI-HXUWFJFHSA-N 431.497 2.453 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1287048267 SJCLQSXIFOHTOD-WMZOPIPTSA-N 446.552 2.300 30 10 IEEE C=CCOc1cccnc1C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1298847445 RBZOBJJLYMIVCT-UHFFFAOYSA-N 449.554 2.268 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 1299164668 FYHXUPFJLYOMEA-MRXNPFEDSA-N 445.463 2.044 30 10 IEEE CCOC(=O)Cn1nc(C)cc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1300175469 LYKOYNCIENOVGD-UHFFFAOYSA-N 446.305 2.464 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC(OCC)C1 1300459550 UHTJKGQWNXUZMB-UHFFFAOYSA-N 447.580 2.392 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCS(=O)(=O)C1 1300523049 VJRQUILVUMNEGN-GOSISDBHSA-N 433.537 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCCCC1 1300587577 QKAQBLUNKWZUON-UHFFFAOYSA-N 443.555 2.382 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)NC)c1 1300620954 HYJRFZIUISKJFI-UHFFFAOYSA-N 434.500 2.068 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300751110 FTKKLFWISNNBBF-HNNXBMFYSA-N 427.530 2.097 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCN(C)C)CC1 1301112146 LPBALSWEJKOVBH-UHFFFAOYSA-N 447.605 2.329 30 10 IEEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1301244987 CDXYBGXEJBASOR-UHFFFAOYSA-N 433.578 2.182 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 1301559190 RDFGLXAZMHIZQZ-MRXNPFEDSA-N 429.230 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(F)(F)C1 1301575770 KJXNTTDFORUOLF-UHFFFAOYSA-N 427.433 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2c(cccc2OC)C1 1301587833 ADLAPVFBKRRRBJ-GOSISDBHSA-N 446.573 2.344 30 10 IEEE N#CCCN1CCN(C(=O)CCC(=O)c2ccc(I)cc2)CC1 1302597715 WYQAAVQWQMPAPS-UHFFFAOYSA-N 425.270 2.312 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCOCC1 1303402016 DCIIXKKRMYONBH-UHFFFAOYSA-N 437.548 2.041 30 10 IEEE CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 1310303014 DRPWLSMDYVTJRZ-OAHLLOKOSA-N 425.580 2.473 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)OCCc2sccc21 1316097774 HTZIKBRTVXEDMC-OAQYLSRUSA-N 446.577 2.332 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1 1342261973 IDXKTDHSSUEEQX-GOSISDBHSA-N 437.518 2.107 30 10 IEEE Cc1cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)ncc1C#N 1353569561 BSMYWBURDLUDFN-UHFFFAOYSA-N 441.495 2.195 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C1CC1 1358949743 LOVKQLLNIAPYNN-WMZOPIPTSA-N 432.569 2.139 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358962699 VBILFQGAYUBZSX-IERDGZPVSA-N 448.976 2.343 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)c1ccco1 1359021328 LDEPBVYKVSNUEN-QHCPKHFHSA-N 438.484 2.303 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1359373222 UASVWRCBEVYLEQ-ZWCUEREDSA-N 432.569 2.173 30 10 IEEE C#CC[C@@]1(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1436762644 ZIUQHMHGZRKODL-RPWUZVMVSA-N 425.529 2.435 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(OC)c1OC 1442583342 NQHYFNWPPLYCJN-INIZCTEOSA-N 447.444 2.143 30 10 IEEE Cn1c(=O)[nH]c(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c(C#N)c1=O 1458475684 OMDLXKWHMZDIQQ-NVXWUHKLSA-N 425.489 2.150 30 10 IEEE CCOC(=O)CON=C(C(=O)NCC1(c2ccccc2Br)CC1)c1cc[nH]n1 1465345159 DQGCKOBFQNLFGO-UHFFFAOYSA-N 449.305 2.304 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)CC1 1467991865 NRZVDEWAOUFGLP-CQSZACIVSA-N 431.493 2.162 30 10 IEEE C#CCN(CC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)C(=O)OC(C)(C)C 1470683596 USXHXOXAJAVQPG-UHFFFAOYSA-N 445.470 2.360 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)ccc1Br 1471040697 CFPGHNIGMFXSSN-UHFFFAOYSA-N 438.307 2.424 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)C1 1471082524 JRYLGETZEIXEQR-CYFREDJKSA-N 449.511 2.026 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1471431130 FAPZESOESKLWTJ-OAHLLOKOSA-N 443.953 2.255 30 10 IEEE COC(=O)c1ccc2c(c1)CCCCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1472098511 BUGLLQOAMBJJJN-UHFFFAOYSA-N 441.509 2.271 30 10 IEEE Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CCO2)n1 1492759530 GOZHXCWRWPQVDQ-SIKLNZKXSA-N 448.575 2.486 30 10 IEEE CCN(CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1501805928 HDDJVKXLVNJJRO-MSOLQXFVSA-N 428.537 2.325 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCSC1(C)C 1503621806 IYXQJXZBPVHLNB-KRWDZBQOSA-N 448.618 2.334 30 10 IEEE CNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1503766691 OZJHLBMQAUMDIT-UHFFFAOYSA-N 434.500 2.353 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507645100 VCEXWDOLCHOXLN-REPLKXPHSA-N 430.516 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCOC1=O 1507664572 AWXIZYYIGORVLT-UHFFFAOYSA-N 443.511 2.436 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2scnc2C)CC1 1507719235 LTPURIQQPSLQDL-QFIPXVFZSA-N 444.605 2.082 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1507732195 CZMNREYBOXXSSW-OAQYLSRUSA-N 436.560 2.073 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1507803471 HCOMWICKPUCKTN-AVRDEDQJSA-N 425.533 2.137 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)[C@H](OC)C1 1507803819 HEYSIFIPZFUVJC-GDAAHCPNSA-N 435.569 2.028 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC(O)CC2)CC1 1507908817 HDEYVJPNYUDOFI-UHFFFAOYSA-N 427.597 2.389 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1514015568 AJWBEUKOJGPJDP-MYLKPUPKSA-N 435.532 2.415 30 10 IEEE CCOCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1516698933 RVHJGFKXYSQSEI-MJGOQNOKSA-N 440.552 2.323 30 10 IEEE CN(C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1517016793 PIORFXMUIMIHLA-LJQANCHMSA-N 438.580 2.311 30 10 IEEE COc1ccc(CCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)cc1 1518195445 AIMBIBXRRXVXLC-SJLPKXTDSA-N 431.562 2.245 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1(C)C 1518638864 WNZGUJHQSUIOCQ-IBGZPJMESA-N 436.520 2.272 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(Br)c2ccccn12 1535349483 DGZBMOURBQKMGV-GFCCVEGCSA-N 426.278 2.109 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1COCCO1 1539241657 HMBOXJPYGFQYJD-HNNXBMFYSA-N 433.281 2.335 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(NC(=O)OC)c2)CC1 1539444167 HWAJODRDKUIUAM-UHFFFAOYSA-N 431.500 2.322 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1539630941 HMGXHOQEKKGSIL-CGXNFDGLSA-N 433.597 2.310 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1539779122 NUMBGWPIEHQMPI-UHFFFAOYSA-N 434.747 2.033 30 10 IEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1539798266 DMCXZAFWGBNXJY-UHFFFAOYSA-N 441.923 2.096 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540866515 POFYQNGYKOPYAV-WBMJQRKESA-N 449.342 2.269 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1541115662 CRDIZUIQARBEJN-KSZLIROESA-N 436.626 2.287 30 10 IEEE Cc1ccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1542497202 HPVPVPNLSVQNFE-GOSISDBHSA-N 429.546 2.308 30 10 IEEE Cn1cc(I)c(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 1545084803 JSSDCBQPQFXQIJ-UHFFFAOYSA-N 435.147 2.240 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1554211346 CQWVGDUKSYPADC-UHFFFAOYSA-N 435.525 2.348 30 10 IEEE COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555567528 DKFZSRYBTLTGDS-UYAOXDASSA-N 439.564 2.436 30 10 IEEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1noc(C(F)F)n1 1556947838 AKCRTSANTLESCO-NSHDSACASA-N 439.444 2.157 30 10 IEEE Cc1cncc(N(Cc2ncc[nH]2)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1557488783 FCITXUPUCIZYAW-UHFFFAOYSA-N 438.513 2.165 30 10 IEEE C#CCN1CCC(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)CC1 1557681854 YYYHWRDVTGJWGV-UHFFFAOYSA-N 448.608 2.086 30 10 IEEE CC(C)(CC(=O)OC(C)(C)C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1558566522 BXQOSYRHAYIHIA-INIZCTEOSA-N 428.489 2.390 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(F)c(Br)c2)c1=O 1559448481 CAIRXSAGBSKVEK-UHFFFAOYSA-N 438.253 2.173 30 10 IEEE O=C(NC1CN(c2ccncn2)C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1565244391 GFWLELJYOAGMBW-NXEZZACHSA-N 445.314 2.478 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1586612345 LKKLSVABSKRMFU-UHFFFAOYSA-N 441.431 2.436 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1587842954 XLAMVAQEAIGFMM-OAQYLSRUSA-N 429.528 2.102 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cnn(-c2ccccc2)c1 1588089351 JJIINLDUZUZARF-RUZDIDTESA-N 444.539 2.431 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCCS(C)(=O)=O 1589559152 NQPLZSPZMVMIRO-AZUAARDMSA-N 433.578 2.116 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1594733142 NUGYFVYGKZFGDG-SFHVURJKSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(N)=O)CC1 1594788738 RXILHLZGQAOGQW-UHFFFAOYSA-N 437.342 2.330 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1595728309 ATEZFWTUXWOZGP-LJQANCHMSA-N 445.951 2.162 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1595754872 QTAUILFJRXUJRK-YZGWKJHDSA-N 443.523 2.394 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C#N)C3CCCC3)CC2)cc1OC 1596433989 GSXXJJIKATWREP-SFHVURJKSA-N 435.546 2.303 30 10 IEEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1614053528 FIXYNPVZFIHFIL-QRVBRYPASA-N 428.562 2.008 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCOC)CC2CCN(C)CC2)cc1 1622886431 FUEPONPLFDBDSV-UHFFFAOYSA-N 438.594 2.315 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 1623589948 IKKKFBKRSAZWAU-NHCUHLMSSA-N 445.560 2.491 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623849538 CEVLHXZDJLUJID-VGSWGCGISA-N 429.521 2.016 30 10 IEEE COc1ccccc1-n1c(C)nnc1SCC(=O)NCc1ccc(C(=O)NO)cc1 1626238456 BWXCNFOZSDRFMJ-UHFFFAOYSA-N 427.486 2.112 30 10 IEEE C#CCC(C)(C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1626480949 VYVBSPPMSKZUSX-ROUUACIJSA-N 432.565 2.430 30 10 IEEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(Cl)c1Cl 1627242226 CYMDJWGHKNQXTH-HUUCEWRRSA-N 437.258 2.487 30 10 IEEE CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1628706491 QCZNSYCVXKWDDX-QHCPKHFHSA-N 439.516 2.344 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](Oc3ccccc3)C(=O)OC)ccc2c1=O 1633407849 CUOXOTLPLPYECI-GOSISDBHSA-N 439.493 2.222 30 10 IEEE Cc1[nH]nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1I 1640252115 LTDZLMUDARNMNM-NSHDSACASA-N 435.225 2.186 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccncc2)C2(CO)CCC2)s1 1642238087 LKYPSYVYRLLMQF-LJQANCHMSA-N 435.571 2.170 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc3c2OC(F)(F)O3)s1 1642262050 PZCPLVSZTCRQAO-UHFFFAOYSA-N 430.454 2.393 30 10 IEEE CC1(C)OB(C2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)OC1(C)C 1643827448 LYSPPRGXESLVRI-UHFFFAOYSA-N 446.313 2.479 30 10 IEEE C#C[C@H](NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@@H]1CCCO1 1645352013 PJSRRYPTVIMWBY-HKUYNNGSSA-N 439.965 2.224 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCCS(=O)(=O)C[C@@H]3c3ccccc3)cc2)c1N 1645668860 FDBCKKJBBGOZJM-HXUWFJFHSA-N 435.509 2.328 30 10 IEEE O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651223887 YLKYSBPXYBLCDJ-IBGZPJMESA-N 436.468 2.047 30 10 IEEE C#CCN(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1654784463 ALKUNPTZYXZRLS-FQEVSTJZSA-N 436.574 2.458 30 10 IEEE C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1669196361 NDCFFZRJWQILFX-INIZCTEOSA-N 425.528 2.368 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OCC 1669268337 XPMAKFNDCYIQMG-JTQLQIEISA-N 432.296 2.207 30 10 IEEE C#C[C@@H](NC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1682361852 PSENSVARVHHIQX-OAHLLOKOSA-N 438.322 2.404 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(CCC#N)CC2)CC2(CCOCC2)C1 1687576381 HVGOUNSDMWIUPK-SFHVURJKSA-N 435.569 2.033 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@H](C)O)cc1 1689959974 UBLKAJCEGTXYPO-INIZCTEOSA-N 438.557 2.409 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N(C)Cc1ccccc1 1689966083 KOKIFPQODVDAFM-UYAOXDASSA-N 429.590 2.160 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1690444879 NMTKWONKSKKWES-ICSRJNTNSA-N 433.516 2.046 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1692248204 SZFLTPXITNFNOJ-OQLSDQBISA-N 440.504 2.174 30 10 IEEE Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CCO2)o1 1693441208 FFLWNNAGHAPBLH-INIZCTEOSA-N 445.430 2.368 30 10 IEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1696770275 UFBKOXQCOGMEHO-LEWJYISDSA-N 441.532 2.131 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1697048978 QIVNTUHCVXKDRX-HXUWFJFHSA-N 439.516 2.402 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1698245138 AAXXBUSPCILKHZ-BPXKWBHBSA-N 448.543 2.235 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CCSCCCO)CCO2)c1 1698485609 JUXBSRXAPJHQFG-PMACEKPBSA-N 443.573 2.347 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC[C@@H]2CCOC2)CCO1 1698494455 VYETZKJDLAJZPM-HKUYNNGSSA-N 429.496 2.180 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705538115 CTTPKDKERUADLI-UHFFFAOYSA-N 440.523 2.288 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705571496 ZULCQZQQDFSRFB-IMFGXOCKSA-N 446.548 2.060 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705641609 MLCOUWLXQSXZTR-UHFFFAOYSA-N 433.622 2.123 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C 1705656133 VJFODUGJLBBSDH-GFCCVEGCSA-N 437.367 2.069 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1705668258 HPLXHRDPMBTWHK-QVKFZJNVSA-N 449.552 2.271 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOCC)CC1 1705705925 NDCOUVHVRZADEU-GGAORHGYSA-N 440.592 2.404 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705754688 DDJQZWGRYCTLMF-CABCVRRESA-N 440.957 2.083 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705931635 WIBZGPYBLOYQQW-XLIONFOSSA-N 440.573 2.090 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706111051 DRBAHKFVSXJAJA-SUGGAOAUSA-N 428.537 2.107 30 10 IEEE Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707907244 DAFFDQXCZNGFFR-MVZUJROASA-N 441.561 2.058 30 10 IEEE C[C@H]1CSCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1708268973 AVJICHDNNGLTDS-CVTQAYBASA-N 430.578 2.479 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1722296713 UJVGNMXBIZCXPD-PKOBYXMFSA-N 427.574 2.091 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722366516 RHCPMSGYTCQIHO-GOSISDBHSA-N 428.489 2.276 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722373014 CYZKNFGDIISCPC-CTNGQTDRSA-N 439.585 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[S@@](=O)CC 1722383777 RLHWZKCYGVOVHI-HKBQPEDESA-N 447.605 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)CCCO3)CC1 1722450486 KFYXNGYNQOKYDJ-UHFFFAOYSA-N 437.544 2.154 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722482240 GOYNTWYUZINLNZ-JKSUJKDBSA-N 437.342 2.101 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)C1 1722492973 HQIAFIPVPUCJAM-QFBILLFUSA-N 426.477 2.113 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1722528760 KVWKXBKORMHRAW-QGZVFWFLSA-N 433.578 2.352 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)C1 1724014300 AMZDFXGPAFHTPQ-NHCUHLMSSA-N 444.561 2.205 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1724112330 FXLVIKUEVOBLPN-SFHVURJKSA-N 433.472 2.343 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1728940334 IBZYKPFAKFBVQJ-QUENFVSXSA-N 445.495 2.238 30 10 IEEE CCOCc1nnc(N2CC3(CCC3)C[C@@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1729005294 XWQAFCIXEWJHCA-QBNCKDSPSA-N 428.537 2.500 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1729636807 GLNZKUCMEIXAKM-QFBILLFUSA-N 440.548 2.362 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1(C(N)=O)CCOCC1 1729987934 GPNGUBFKSWCPCD-CQSZACIVSA-N 446.939 2.485 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740615356 BQIGHVWJGQJTGD-FGTMMUONSA-N 435.594 2.040 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1740618782 CDDKIDCYYQKEKR-IBGZPJMESA-N 437.525 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1740657616 ULHPWFNKPKQATK-RTWAWAEBSA-N 445.633 2.155 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCc2c[nH]nc2C)CC1 1740699987 BHPWSCGSOHEQKM-UHFFFAOYSA-N 437.523 2.416 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1)C1CC1 1740906745 LPFBKMGXYPEMJF-MRXNPFEDSA-N 428.924 2.295 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740947933 MKXONVSNSOKVGP-HXUWFJFHSA-N 445.637 2.051 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740999948 JKSYPGPARVGNLP-GOSISDBHSA-N 428.566 2.008 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1741801477 AWZZQQQLBIEXJJ-CVEARBPZSA-N 443.556 2.308 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COc2ccccc2O1 1744050584 JKYHNDSLWYYVNX-ZHRRBRCNSA-N 442.495 2.478 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1746068457 HLTRCYVPFLBAHX-ICSRJNTNSA-N 438.580 2.106 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1747396017 OEKZQENSAXOIOD-LPHOPBHVSA-N 429.546 2.421 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(COC)CCOCC1 1748685089 VAXRAOKMRWZZBJ-MRXNPFEDSA-N 431.562 2.171 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)N(C)C)c1 1748689921 KEABVPDAOMYPOG-QMMLZNLJSA-N 439.560 2.405 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749230020 SRUXFEHVFGETDP-UXHICEINSA-N 430.553 2.175 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760182080 BNYHWEJMSFJZFJ-AZUAARDMSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760189410 UFDARLXUNFTUJB-LJQANCHMSA-N 442.589 2.460 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1snnc1C 1760218359 FBAUEKJIPYOJBH-UHFFFAOYSA-N 447.572 2.123 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760281874 RHMWQISCAQVWPT-HBMCJLEFSA-N 446.665 2.143 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1760380450 CCIZEISYRDYPBX-AZUAARDMSA-N 447.967 2.444 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1760497781 RLCQSOMLQHULTO-JKSBSHDWSA-N 433.553 2.379 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760525904 VXYPNGKWUVVDKG-UHFFFAOYSA-N 447.543 2.317 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1761361099 ANCQPHQRFKWXOO-INIZCTEOSA-N 432.488 2.164 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CCO1 1769240595 GBBRXNXUYNUJBU-DOTOQJQBSA-N 430.459 2.203 30 10 IEEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1770148310 FRVHXTMUWNTAAW-FQEVSTJZSA-N 440.548 2.033 30 10 IEEE CS(=O)(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1770309725 LJBGGVMGKMPPOT-INIZCTEOSA-N 435.575 2.017 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)CCO1 1770746431 FYWOOQBPDIRXHU-HNNXBMFYSA-N 432.326 2.026 30 10 IEEE Cc1ccc([C@H]2[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC(=O)N2C)cc1 1852634808 TWQQYAXEWXNDHY-LPHOPBHVSA-N 439.541 2.342 30 10 IEEE CCC[C@@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1855608278 CIMIELVHTXGVAC-IEBWSBKVSA-N 435.521 2.472 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)[C@H]3CCCO3)cc21 1858751874 NUNQFGYVQXILNP-HXUWFJFHSA-N 437.452 2.372 30 10 IEEE Cc1c(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)cccc1[N+](=O)[O-] 1860833842 PFVGRUSKBJAAIL-UHFFFAOYSA-N 447.411 2.489 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862563925 NYTDMINKVZFQIC-HXUWFJFHSA-N 439.468 2.000 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862739696 FCUZIMFOBRPSEQ-GTNSWQLSSA-N 427.369 2.462 30 10 IEEE Cn1cc(I)c(C[C@]2(C#N)CN(C(=O)OC(C)(C)C)CCO2)n1 1902296669 DXLMUTVOJHJUGR-HNNXBMFYSA-N 432.262 2.097 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@]1(C)COCCN(C(=O)OC(C)(C)C)C1 2022238062 LKRFQXAQKXTMRC-HNNXBMFYSA-N 427.361 2.088 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2049163829 XSCRKCSYOCZGKX-RTBURBONSA-N 432.370 2.446 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCc1cccc(C#N)c1 2184143424 OAWNUICODGVQPJ-NRFANRHFSA-N 429.473 2.045 30 10 IEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 2243434767 DWCJMIQUGGQUAE-HNNXBMFYSA-N 430.376 2.445 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)C1 2247557979 RFDJEYRKDIORHW-BIWSTMPVSA-N 431.455 2.353 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)C1 2247572559 XWPTUBZFAZOGJT-UHFFFAOYSA-N 439.553 2.293 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247836254 ZCZDIKIHNOMWPY-UHFFFAOYSA-N 447.313 2.332 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247961516 GHMRLLSBANJIDF-FOIQADDNSA-N 442.387 2.493 30 10 IEEE CC(C)(C)OC(=O)NOCCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2248401541 KGBYETBWJAZJIV-UHFFFAOYSA-N 441.721 2.241 30 10 IEEE C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248441331 LIBVARMLJIWJLN-AAEUAGOBSA-N 443.350 2.310 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255601262 FRFAJIPNDSVQNV-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255627264 QFWXUECITRDHQK-CQSZACIVSA-N 434.346 2.228 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255633037 VQNARZTXUWAHQM-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256675547 HNYAQNUZMZRTEN-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2cn(C)nc2Br)C1 2266534677 OFLYVRNOLFYHLD-UHFFFAOYSA-N 425.327 2.448 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009821 OXHQVVPKJOQKBH-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267266051 NACPJMZVXWUXII-ZMSDIMECSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267275038 IYBCRMXATUXJQO-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H]2C[C@@H]21 2267494395 DVCUJIUBDXPIIH-HOTGVXAUSA-N 447.316 2.354 30 10 IEEE COCCN(CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2268631012 RRZWXHBAEFLAQD-UHFFFAOYSA-N 448.369 2.486 30 10 IEEE C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)COC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268708964 AEOYLBNFZHAGHV-HNNXBMFYSA-N 446.353 2.457 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2269707514 OGCDMLCEJFHIBY-ALXJQNPVSA-N 443.353 2.284 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(F)cc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296147200 KSSLBOCODHHZDI-GOSISDBHSA-N 430.388 2.165 30 10 IEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1 2297745992 HJVPSICUSZKHHW-IBGZPJMESA-N 444.509 2.005 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322304605 VMAPFLJFYWASNN-CQSZACIVSA-N 437.321 2.250 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 10673341 AXJXOHGNFAHKKQ-UHFFFAOYSA-N 427.438 2.449 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCOc1ccc(C#N)cc1 11400059 JKKRXGBBDRSBBC-UHFFFAOYSA-N 430.482 2.123 30 10 IEEE COc1cccc(-c2nnc3ccc(OCCNC(=O)COc4ccc(C#N)cc4)nn23)c1 13706420 ZFWXIPLBUCSQLQ-UHFFFAOYSA-N 444.451 2.246 30 10 IEEE CCn1cc(C(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)c(=O)c2ccc(C)nc21 96349951 IGALDSYWAQRETM-UHFFFAOYSA-N 430.464 2.463 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)n(C[C@H]2CCCO2)c1C 106879485 FJEJMOAGUVKPLP-TZIWHRDSSA-N 435.528 2.006 30 10 IEEE C[C@@H]1CCCN(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)C1 253576395 VUAWMDNSJAUHML-SUDUWZNWSA-N 448.465 2.418 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H]1CCCN(CC#N)C1 433222499 ZFQWTZMWXTWSDG-LSDHHAIUSA-N 442.379 2.211 30 10 IEEE CC1(c2cc(NC(=O)C(=O)N3CCN(c4cccc(F)c4C#N)CC3)no2)CCCC1 434781514 CTDONYFBNUEEQS-UHFFFAOYSA-N 425.464 2.804 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3CC(=O)c3ccc(F)cc3)CC2)o1 441394187 JVBIJAHDTCWMEB-LJQANCHMSA-N 439.491 2.380 30 10 IEEE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1F 441977397 VWTICLQKBACWEY-UHFFFAOYSA-N 441.506 2.205 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2nnnn2-c2ccccc2)CC1 444405515 RGAWXBGHRKNZIN-IBGZPJMESA-N 437.504 2.303 30 10 IEEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C2CC2)c1=O 447265819 IRWLPKLQRGYPKI-UHFFFAOYSA-N 449.374 2.249 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCOC)[C@H]1CCOC1 460392058 WTTKURMXAAHPPH-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ccccc3S(=O)(=O)NC)CC2)nnc1C(C)(C)C 460549794 BAHSCXWGJONSHH-UHFFFAOYSA-N 432.594 2.386 30 10 IEEE CCOc1cc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] 482897800 HVFKWYMGBOKKOI-UHFFFAOYSA-N 444.513 2.461 30 10 IEEE N#CCN(C(=O)Cn1ncc(Br)c(Br)c1=O)c1ccccc1 502841937 OOAUOEKVFCDOFU-UHFFFAOYSA-N 426.068 2.325 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)o1 531598442 PDDDEUARUVBXIF-UHFFFAOYSA-N 435.549 2.389 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2ccnc(N(C)C)n2)CC1 532733902 MEMRUAIIRYWNOS-KRWDZBQOSA-N 425.512 2.139 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C#N 604002414 ULRCWPJHUMVGIO-UHFFFAOYSA-N 442.544 2.498 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(Br)c2COC)CC1 605414754 ZSLWBLHPCBROOS-UHFFFAOYSA-N 425.327 2.047 30 10 IEEE COc1cc(-c2nnc(CN3CCN(c4ncccc4C#N)CC3)o2)cc(OC)c1OC 619510072 KBOMBOODKQFPTR-UHFFFAOYSA-N 436.472 2.351 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)c1 729250729 IOOULCXRCLQUFB-QGZVFWFLSA-N 429.517 2.256 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 731625473 YQFJZODFZFWFCM-LJQANCHMSA-N 433.516 2.146 30 10 IEEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1ccc(-c2ccccc2)cc1 732155901 HYJOBJZTUMGYGR-GYHWCHFESA-N 442.479 2.499 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 734278192 PTBGPGOSXATTNO-OAQYLSRUSA-N 441.576 2.453 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCN1C1CC1 745875451 OFIGJJZMVFORTD-AEFFLSMTSA-N 433.459 2.165 30 10 IEEE Cc1sc2ncn(CCC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(=O)c2c1C 757595015 ODINEWCALCHXQH-GJZGRUSLSA-N 445.545 2.340 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(Cl)c(O)cc3Cl)nc2)CC1 758098601 CWZNMOREDYIVMW-UHFFFAOYSA-N 444.344 2.476 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 762636248 OOVHUMWEKMFSTE-SFHVURJKSA-N 427.482 2.143 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCCOc2ccc(C#N)cc2)C1=O 771447525 ROYJKBJPUDTNNA-QHCPKHFHSA-N 437.452 2.265 30 10 IEEE COc1cc(OC)c(S(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c(OC)c1 778762690 HDDQXUNTZNKJRW-IBGZPJMESA-N 448.497 2.493 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 780205909 OJLWNVXXVWSNRZ-QFBILLFUSA-N 447.369 2.441 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)Nc1oc(C)c(C)c1C#N)CC2 786797714 LVXYEQRAKXUECM-UHFFFAOYSA-N 427.457 2.325 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)O[C@@H]1CCN(c3sccc3C#N)C1=O)CC2 786799876 HSKAMRDDDAYUKQ-QGZVFWFLSA-N 441.509 2.344 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](O)c2ccc(C#N)cc2)C1=O 789887804 DYDCHSQWIHSVFW-HKBOAZHASA-N 449.507 2.392 30 10 IEEE COc1cccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)n1 790749508 GZKDJALLUNPYBH-INIZCTEOSA-N 447.586 2.351 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@H]1CCCO1 794580537 XDGXHZGEEBQLTF-CQSZACIVSA-N 431.583 2.362 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 800038997 NBURHPBJCHQYNN-ROUUACIJSA-N 444.598 2.205 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(Cl)cc1 811962887 BVEXYOQURYATCX-IBGZPJMESA-N 432.933 2.194 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)C1 919076688 CDJXKALNCZVXQM-ZWKOTPCHSA-N 441.528 2.366 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2nnn(C(C)(C)C)n2)c1 1125176191 QMVPYRKNKKIRFH-MOHJPFBDSA-N 447.565 2.202 30 10 IEEE C=CC[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccncc1 1147007456 UVJVHOQSNVHYNY-SFHVURJKSA-N 431.514 2.345 30 10 IEEE CCN(CCS(C)(=O)=O)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1151238324 ZBFFQOPLLPSDLI-GOSISDBHSA-N 435.546 2.286 30 10 IEEE CCOC(=O)c1[nH]c(C)c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 1204617746 GRVYFEFQTRZFLG-UHFFFAOYSA-N 430.530 2.186 30 10 IEEE N#Cc1c(CCCNC(=O)NCCOC2CCSCC2)nn(-c2ccccc2)c1N 1251466046 CPQGZLRQBXBIRU-UHFFFAOYSA-N 428.562 2.470 30 10 IEEE COc1ccccc1-c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(O)n1 1266190603 CZHFMQINWPTMAT-HNNXBMFYSA-N 430.468 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1 1286279054 JNGLYXDZLPAHCV-JKSUJKDBSA-N 433.603 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286300765 DNYHAZCBTJNHDE-RTBURBONSA-N 425.533 2.118 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCS(=O)(=O)C1 1286404971 WMISFLPTVHEXJA-OAHLLOKOSA-N 434.468 2.054 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccccc2)CC1 1286481253 ANPPJYLLOZSPTE-UHFFFAOYSA-N 429.572 2.151 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncc(F)cn2)CC1 1286562622 AROBUOIKOOPBSM-QFBILLFUSA-N 431.516 2.052 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286790066 BMBXPYNEVQNENV-UHFFFAOYSA-N 435.576 2.363 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CCC)C1 1286812758 SOVPYOAPKVGCHL-VQTJNVASSA-N 430.597 2.446 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1286967287 CSAHTZWFDPDJFD-LZJOCLMNSA-N 431.562 2.074 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1(O)CCOCC1 1287007556 GCVYTPIVTKLDPH-UHFFFAOYSA-N 439.564 2.100 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@@H]1N1CCOCC1 1291225351 PNHSKUKVYDGVMO-APWZRJJASA-N 446.502 2.255 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)CCCOC 1291524564 OURXGPKWJWDXEE-MRXNPFEDSA-N 427.553 2.295 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1300412239 ZPPQNABVYOOCGT-ICSRJNTNSA-N 444.557 2.180 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300487031 DSKJJKMDJUXKGZ-CQSZACIVSA-N 445.492 2.220 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1300780734 VLHHNYFUZJXRSW-VGOFRKELSA-N 444.605 2.189 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301029379 NFWIMAXCNNSYBQ-HUUCEWRRSA-N 436.896 2.075 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1301085562 NUZGSJHDSFZDOL-SFHVURJKSA-N 431.562 2.307 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1302141143 QCPIMIGLOVGIBM-LJQANCHMSA-N 426.521 2.381 30 10 IEEE Cn1cc(CNC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(-c2ccc(C#N)cc2)n1 1312478925 CXVPHWSVCIHBHA-OAQYLSRUSA-N 427.530 2.069 30 10 IEEE CCN(CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1313812685 MSBLETWHDALMDJ-UHFFFAOYSA-N 446.563 2.059 30 10 IEEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N)OC 1315795342 JWQBXVSVDUFHCK-JSGCOSHPSA-N 425.331 2.446 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(C(=O)N(C)C)c1 1316269947 QVXMUIOTWFMGLU-UXPWSPDFSA-N 440.548 2.348 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 1325227031 CDQHJWURSZWETK-MRXNPFEDSA-N 427.592 2.452 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCOC[C@@H]1C 1358970292 KYFKTYPCNPAJRI-OALUTQOASA-N 425.508 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1358992793 XHIWXOPHMGDJBG-LEWJYISDSA-N 447.539 2.217 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N(CC)CC)CC1 1359031244 VOLHQXZLRRLLGM-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 1359102323 AALCPFAPDDDRHR-DENIHFKCSA-N 441.580 2.180 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359130832 XGEHDIKNISIZNQ-UHFFFAOYSA-N 447.547 2.173 30 10 IEEE C=CCn1c(N2C[C@@H](N3CCOCC3)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290306 VBLHDUMHDXGODP-AKHDSKFASA-N 446.596 2.392 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1359331546 CAIVWSNGWXKJRC-JKSUJKDBSA-N 433.534 2.073 30 10 IEEE CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359784899 RXOHRXWEIYBBMC-QZQOTICOSA-N 430.553 2.256 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1360480885 IAVLWOAPRHRPEC-PKOBYXMFSA-N 430.578 2.083 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1454282069 JYNDFVIQWKYENK-RTBURBONSA-N 432.546 2.176 30 10 IEEE C#C[C@@H](NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1ccc(Cl)cc1F 1467935451 SSLFKMVZSYBBRX-APHBMKBZSA-N 428.855 2.239 30 10 IEEE CC(C)(CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1COCC12OCCO2 1478476016 GOHVLFGDDNFWEG-ACBHZAAOSA-N 444.532 2.358 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C(C)C)N2CCCC2)CCOC1 1502679824 GEENMNNYJWRJHD-STZQEDGTSA-N 434.560 2.493 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)OC 1504579101 AJBHPOATYYPGCO-QZTJIDSGSA-N 445.520 2.131 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccccn2)CCC1 1504883978 GZTSZAJAEWXICV-UHFFFAOYSA-N 437.548 2.397 30 10 IEEE COCCOCc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1505037030 ILULDBGORVLAKG-SFTDATJTSA-N 441.532 2.460 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)CCO1 1505322081 IEUSKEXHYHPLRC-HNNXBMFYSA-N 445.325 2.441 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507685230 MTTJIPHJGLTNMD-MRXNPFEDSA-N 432.546 2.247 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1507691052 ZUWHLKKEOQCXER-AWEZNQCLSA-N 441.479 2.296 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)[C@@H](C)CC)CC1 1507729898 KRYUYJPDJLJPMT-SIKLNZKXSA-N 438.576 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCc3cccnc32)CC1 1507741067 KJZSYHBRYHQWPR-FQEVSTJZSA-N 436.560 2.296 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1507772974 YFTXXLFZSXROPY-SAHWJRBASA-N 442.564 2.343 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507846325 IDLTUWOZYXUWEW-QHCPKHFHSA-N 437.548 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(C)C)CC1 1508079554 YNJRUOBTFWKREV-UHFFFAOYSA-N 442.564 2.231 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1[C@@H]1C[C@H]1C(C)C 1509682556 DDCXFGLTNYDWNC-SOLBZPMBSA-N 437.552 2.010 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@](C)(O)C(C)C)cs1 1511547942 OYURUWOMCSODFU-NQIIRXRSSA-N 429.594 2.217 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@]3(CCOC3)O2)CCOC1 1516129794 IUJVQTMWZPYGFC-MCEIDBOGSA-N 433.553 2.397 30 10 IEEE CCOCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1516698936 RVHJGFKXYSQSEI-PKOBYXMFSA-N 440.552 2.323 30 10 IEEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1516981012 OXFLNUMCIPWRFG-XMSQKQJNSA-N 442.495 2.087 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1519115010 HIWWCMDFUMHYCM-OAQYLSRUSA-N 434.548 2.470 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)C1 1519508539 IAXKLDHFAMGSKH-LJQANCHMSA-N 429.546 2.257 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1nccn1C 1525539408 GSNUPWBVFLPZMJ-SFTDATJTSA-N 446.467 2.406 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)c2C#N)C1 1529938183 GLKQLVKIKCUEAJ-OAHLLOKOSA-N 429.546 2.391 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)s1 1532191428 JKZNCKHESBFFSG-CYBMUJFWSA-N 447.542 2.083 30 10 IEEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1534418620 OLLMKVNPCPIJJI-MRXNPFEDSA-N 432.464 2.261 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1539343973 UJJFYNKWQWGTJZ-OAHLLOKOSA-N 425.468 2.170 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[S@@](=O)C(C)(C)C)CC1 1539469588 CSDZVQBILJDOIW-WJOKGBTCSA-N 445.589 2.360 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1539599261 BXEYKLQYUDZACA-KBPBESRZSA-N 433.372 2.094 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1539940609 SZTWQGRXLUYISS-LEWJYISDSA-N 438.576 2.358 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1540071480 GGVBBOJXVWRGBS-OAHLLOKOSA-N 439.607 2.273 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1540874404 FTTJKYLICZSVHL-UZLBHIALSA-N 436.516 2.035 30 10 IEEE C[C@H](C(=O)Nc1nc(C(F)(F)F)c(I)s1)n1cnc(C#N)n1 1544901460 ZCENURXCRJQQKN-SCSAIBSYSA-N 442.164 2.429 30 10 IEEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1554379674 KNYIGJCRLAAAJV-OALUTQOASA-N 440.548 2.282 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1555904213 JKLBMWQRAIJOFN-PBHICJAKSA-N 441.561 2.383 30 10 IEEE N#CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C(F)(F)F 1558443589 ZLVRIODHOXOYFG-WCQYABFASA-N 439.481 2.248 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C2(O)CCOCC2)cc1 1562197798 ULTLMYVIRFDVSG-UHFFFAOYSA-N 425.551 2.182 30 10 IEEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 1564999299 IXSIEOLKZYIJKT-ROUUACIJSA-N 427.501 2.412 30 10 IEEE CN1CCC2(CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)C1=O 1568205940 BHAICCUPYGRMDZ-UHFFFAOYSA-N 431.334 2.228 30 10 IEEE CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1570014878 RWYFSXOZVQHBSJ-LBPRGKRZSA-N 432.458 2.449 30 10 IEEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1585625039 LPVGDPQCCNFAOI-JDJRSUBASA-N 435.402 2.108 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 1586914731 PILQFKXUPWQGRP-UHFFFAOYSA-N 430.436 2.420 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1587841733 FDWWYSQSCFZQEH-UHFFFAOYSA-N 442.520 2.337 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CCC)C(=O)C1 1587879298 QXJOQGXWIMBHQD-UHFFFAOYSA-N 428.562 2.132 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1587915087 CJGAHOQQWBMQBE-HSZRJFAPSA-N 431.581 2.033 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588034662 JZPAOUPRYAFGEV-QUCCMNQESA-N 444.557 2.150 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1588064371 HEHAVWHAWJRAIV-IBGZPJMESA-N 439.541 2.149 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1588173434 AHQBGVUKONNANA-OAQYLSRUSA-N 449.555 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)NC 1588194636 YPBGIAZMNSHVDJ-INIZCTEOSA-N 445.614 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccccc1)N1CCOCC1 1588214068 GUXNVMVCJXWLHI-QHCPKHFHSA-N 443.555 2.215 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1coc(-c2ccc(C)cc2)n1 1588673227 NKCXKRCNKPGIQZ-UHFFFAOYSA-N 448.527 2.498 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588891204 NDERHQKHAZEUBB-QFBILLFUSA-N 444.580 2.198 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1589096366 BBFSUWRCXZUFAO-UHFFFAOYSA-N 428.562 2.292 30 10 IEEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O)C1CC1 1595071031 WFQWLGJDURBAKG-IAGOWNOFSA-N 425.599 2.291 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1595562326 VCSNUHCPQNTEAV-KRWDZBQOSA-N 432.569 2.226 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1595723288 URNPLJLJQBWQNY-GOSISDBHSA-N 431.562 2.283 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1613124683 SLLGDIHOAQBDDO-FTFYGEEPSA-N 427.505 2.087 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC 1613619080 DXKJMGIOVDBPEE-RXVVDRJESA-N 429.546 2.257 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1614348838 CPCCBBVTAYLWCA-PWIZWCRZSA-N 449.559 2.084 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)c(Cl)c2)CCOC1 1616260533 CMOSRCHVUVBKIX-FOIQADDNSA-N 435.887 2.500 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)cc(Br)c2N)CC1 1617689761 NLFZORJXOJIVPD-UHFFFAOYSA-N 443.139 2.395 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)CC2)c1 1623850303 TYVRIANANIMBFN-QGZVFWFLSA-N 441.285 2.146 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H]1n1cccn1 1624308030 OGDRICVLCFGQNK-KSZLIROESA-N 434.493 2.247 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1625997182 SDJKMBYAFSQNOH-HSZRJFAPSA-N 430.549 2.210 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)c(I)c1 1626255037 WRQOJDBJWCTLIG-IUCAKERBSA-N 437.159 2.416 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3c[nH]c4cccc(C#N)c34)CC2)c1 1628207010 FKGGQONYLXSAPP-UHFFFAOYSA-N 436.493 2.041 30 10 IEEE COC(=O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@@H](OC)C1 1628303628 IAPVWWGYHRMEQS-NLWGTHIKSA-N 436.549 2.500 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)cc1 1637131435 SXZDCNBOFUKJJA-IBGZPJMESA-N 426.498 2.312 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)c1nccn1C 1639720847 QWPJCSUTBGPASB-OXJNMPFZSA-N 437.525 2.059 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)C(F)(F)c2ccccc2C#N)n1 1641866289 BCUSEFLFHFNJQT-UHFFFAOYSA-N 433.415 2.487 30 10 IEEE C=CCC1(NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 1644163969 FEXWNEPFAMIBEB-UHFFFAOYSA-N 435.590 2.192 30 10 IEEE CC1(C)CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)[C@@H]1C#N 1645513886 DLLHDHWKXAQOAZ-ZFOVBUMHSA-N 427.530 2.248 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CCOCCNC(=O)OC(C)(C)C 1648579827 LBTNPMJJPLWANA-UHFFFAOYSA-N 444.536 2.150 30 10 IEEE CCOC(=O)c1ccc(NCCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)nc1 1648736367 PRFVWHGHXZKSDB-KRWDZBQOSA-N 425.464 2.324 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)O1 1649588243 DIVGFLFLVAYNIV-TWOQFEAHSA-N 438.598 2.366 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)CC1 1668711413 ICGOHOJDFMIQHK-UHFFFAOYSA-N 434.518 2.055 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1OC 1668882077 HCDOWHQZLVBFSM-UWJYYQICSA-N 435.546 2.486 30 10 IEEE O=C(CNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)NCC(F)(F)F 1683339926 JTCVTTFRTOVKMD-UHFFFAOYSA-N 440.113 2.483 30 10 IEEE C=C[C@H](C)ONC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1683557034 YRJVUPIIEMRUDX-AWEZNQCLSA-N 446.367 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1CCOCC1 1690025026 ASNZDZBHQNTWQA-UHFFFAOYSA-N 430.556 2.465 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CC1 1690106353 RUSYTZOOYKHZDC-UHFFFAOYSA-N 435.322 2.231 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690133386 FGTUSZVOFOWIOF-WOJBJXKFSA-N 439.560 2.172 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1690206770 ZGRBBQISLDBZAK-YLJYHZDGSA-N 435.594 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690245663 LHDDCWCRUOHBJD-SSTJLMRISA-N 433.597 2.309 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC(C)C)CC1 1690342208 FDIYWZGVZPPQQQ-UHFFFAOYSA-N 436.944 2.305 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1690395107 YDDCXIDFTCWJCW-UHFFFAOYSA-N 440.548 2.257 30 10 IEEE C=CCN(c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1690542220 HAXJNULKISFABE-UHFFFAOYSA-N 426.546 2.329 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1690595547 YRKIXPLWIJXJOR-XMSQKQJNSA-N 428.558 2.193 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC)C1 1690697182 PXESTQRYLSTZIM-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccs2)CC1 1690722734 UCZDCDDZGWSNCN-UHFFFAOYSA-N 444.586 2.329 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](SCC)C1 1690724291 LOHFYKUPCFRALT-DLBZAZTESA-N 428.624 2.495 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)C1 1690809150 CQKNTWMXOMMHEQ-ZBFHGGJFSA-N 427.509 2.003 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1693876592 OMRBSLHFMZNLFQ-TUPYQCFKSA-N 439.545 2.197 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCn2ccnc21 1696902079 BBPOTQQUMWKIGO-VQIMIIECSA-N 432.532 2.409 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(OC)CCOC2)c1 1697302446 CJIXXRCXCRXMNB-LEWJYISDSA-N 431.468 2.210 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C)cc1Br 1697381179 GYBCJZYOFXQEEG-DZGCQCFKSA-N 449.353 2.395 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1705564931 FTUMBGZNRRVLSX-SLFFLAALSA-N 449.621 2.021 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1705616947 KALICGJJCGIWNC-UHFFFAOYSA-N 430.553 2.260 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cscc2C)CC1 1705644795 CCYODJAGMNNOQT-KRWDZBQOSA-N 445.589 2.386 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CNC(C)=O)CC1 1705701825 DFQSSQXLILCITO-ICSRJNTNSA-N 425.537 2.069 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1ccco1 1705712346 QNXFPVCVCGIGKD-UHFFFAOYSA-N 447.503 2.346 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705761003 XXIDFBLBZYFZBV-BEFAXECRSA-N 438.916 2.341 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1705876498 ZIYYWXQDOIFKFH-HZPDHXFCSA-N 445.536 2.225 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705894989 QFLQMXQJUCWZKM-CVEARBPZSA-N 443.577 2.338 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1706141206 VQWHBJJRFQOXIN-UHFFFAOYSA-N 434.552 2.142 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 1708085753 ASJLNCCXKSJYSW-QGZVFWFLSA-N 430.578 2.029 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)S1 1708177031 JZPWEGZZKNKEQQ-VBQJREDUSA-N 439.545 2.135 30 10 IEEE CC[C@@H](C)c1nnc(N(C)CCc2nccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1708408248 KGOOLJMDAFDOEN-UFOSLELVSA-N 429.550 2.453 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1709655188 XKELDTLOQLLNRB-IBGZPJMESA-N 447.547 2.126 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(CC(F)(F)F)C1 1722307019 YGHMYIYGQOCFKY-QZWWFDLISA-N 429.487 2.344 30 10 IEEE C#CCCCn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1[C@]1(OC(C)C)CCOC1 1722338868 NSARUNDOBAFPQV-QHCPKHFHSA-N 425.533 2.467 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722349124 GFBARBJCFJNKNM-UHFFFAOYSA-N 440.555 2.471 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1722355144 QYVRKIHDYUZRNY-SFHVURJKSA-N 443.552 2.055 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1722411746 ONFJNXOYEIPZGZ-IXFSTUDKSA-N 447.580 2.392 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NC2CCCCC2)CC1 1722439549 GSPLKKTZJPXSTH-UHFFFAOYSA-N 426.590 2.135 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722500653 MMRVWAGGKZNJAG-SCTDSRPQSA-N 426.583 2.199 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722558041 BKBCCJXRWVCIKA-BZUAXINKSA-N 446.017 2.467 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1722628650 ADTOEWDVZZSEFY-PMACEKPBSA-N 446.573 2.351 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1722629773 XYJWBZXCJKSAGM-UHFFFAOYSA-N 437.548 2.072 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)N(C)C 1723244550 AXALMXFHHYCAND-PMACEKPBSA-N 436.564 2.007 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)n1 1725941426 ZEVXHPPIZWIFKW-HSZRJFAPSA-N 432.532 2.126 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1729154890 WBYKXOGNUZQUCH-UHFFFAOYSA-N 431.500 2.211 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnc1C 1729195506 DKMVOHNTIFVZQF-UHFFFAOYSA-N 441.561 2.283 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1730439866 YYPDQJRDYWPCGK-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740565721 ZZTJANXHJTYPQV-OYRHEFFESA-N 443.640 2.215 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1740615949 OQHSQEOYNWXZKC-HNNXBMFYSA-N 431.562 2.117 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1740683851 GOJYJXINIJINSH-SFHVURJKSA-N 449.559 2.412 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740758383 XBMBCKZKAGUWED-ICSRJNTNSA-N 433.516 2.452 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1740761338 NASIKJPLPIEWMK-AOIWGVFYSA-N 438.594 2.167 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740881033 UXDCDKPHHHCFAO-OALUTQOASA-N 432.569 2.306 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)C1 1740951285 UFVIYYQKATWINJ-HSZRJFAPSA-N 440.548 2.455 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC)[C@H](C)C1 1740951441 FZYMLOOBZDVKCI-SJORKVTESA-N 430.528 2.390 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1740953813 RSMGGQAICJEKBF-IBGZPJMESA-N 429.521 2.126 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnccc2OC)C1 1740972589 KDDFEJGMOWKVNT-PGRDOPGGSA-N 429.521 2.163 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1741876245 ASYGGTXSADLJGS-JTSKRJEESA-N 430.503 2.418 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748679309 AZKMVWZUYFRBDH-IRLDBZIGSA-N 436.604 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N1CCCCC1 1748859872 PENGXNPINHMSLA-UHFFFAOYSA-N 435.528 2.341 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1NC(=O)CC1(C)C 1748912262 BIJUADFZGOIMDN-HNNXBMFYSA-N 433.354 2.420 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1748915363 UEICGHDQQLEZKR-KRWDZBQOSA-N 443.548 2.151 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCSC1 1748940852 SCEODNNSPQGIOU-JOCHJYFZSA-N 443.548 2.161 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCSC2)CC1 1748994550 KACLVCANMCHNCP-HSZRJFAPSA-N 425.602 2.077 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCSC2(C)C)CC1 1749009927 XORCAMOCDYRIOE-QGZVFWFLSA-N 439.589 2.233 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccccc2C)CC1 1749014020 BTWVFGHBMLKZQF-FQEVSTJZSA-N 437.544 2.135 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2Cl)CC1 1749663689 NENUXVLWVJHMSL-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749664528 QRAPQFURIMFDDW-CJNGLKHVSA-N 439.438 2.412 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1749677979 QYSSTKASOKBWSD-UHFFFAOYSA-N 426.565 2.388 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1750076184 LLYSGCNIFYZELM-JKSUJKDBSA-N 434.541 2.219 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1750313569 UYBHDWFOBXMNRW-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1751090470 DYEZWXSNFCZKCG-IWAYBZMOSA-N 441.565 2.206 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1760210734 UQRVDWHYUZWMPA-KRWDZBQOSA-N 442.564 2.195 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccccc2)CC1 1760261348 KBDBAKZHOLOCRC-TZIWHRDSSA-N 441.601 2.129 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(F)c2)CC1 1760263436 AXLNTXPFLGWPCC-PXNSSMCTSA-N 431.487 2.084 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)SC)CC1 1760271243 RGVBDBWJLQVUQB-UHFFFAOYSA-N 443.621 2.247 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760285759 QECMVZMDSGYXPY-INIZCTEOSA-N 431.493 2.003 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1760464815 PWSZNNSVQCAAON-PKOBYXMFSA-N 433.578 2.114 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(=O)N(C)C)CCCC2)C1 1760544909 JSKOMPOQBKJWML-GOSISDBHSA-N 427.553 2.109 30 10 IEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1768086216 CGDHOHUBTKXVJG-RBUKOAKNSA-N 429.546 2.255 30 10 IEEE Cn1nncc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1769088856 HCGVTMNYGGLRNE-AWEZNQCLSA-N 449.302 2.069 30 10 IEEE COCC(C)(C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1770720444 FTJXQQGVYRZOAW-IXDOHACOSA-N 448.568 2.450 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3cccc(C#N)c3)CC2)c1 1848723626 AZXIKZOJKSAFNZ-JOCHJYFZSA-N 438.553 2.369 30 10 IEEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@H](N2CCS(=O)(=O)CC2)C(C)(C)C)c1 1851199810 HSTCRNNNZFJVQB-SFHVURJKSA-N 429.546 2.136 30 10 IEEE N#Cc1ccc([C@H](CC(=O)NCCn2ncccc2=O)N2Cc3ccccc3C2=O)cc1 1852665410 MZHNCLBSFFBDRE-NRFANRHFSA-N 427.464 2.019 30 10 IEEE C=CCNCc1c(Cl)n[nH]c1C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 1853536134 BGJSAEUVORTOQJ-UHFFFAOYSA-N 441.919 2.487 30 10 IEEE Cc1cscc1C(=O)N1CC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853743418 MUHLCAKRBCQPMJ-LJQANCHMSA-N 428.558 2.272 30 10 IEEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)CCCOc3ccccc3)C2)cc1 1854345899 JTLOGAXDZVAXDS-FQEVSTJZSA-N 430.482 2.059 30 10 IEEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1855323245 BCZFHRNVUNFDFO-QGZVFWFLSA-N 426.542 2.411 30 10 IEEE COc1ccc(C(=O)N2C(=O)CCc3cc(S(=O)(=O)N(C)CCC#N)ccc32)cc1 1856894211 BXZRCSQUBCFAKL-UHFFFAOYSA-N 427.482 2.349 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)[C@@H](C)C2=O)cc1C#N 1857078169 YOWDHIXQKPQFEC-HNNXBMFYSA-N 429.473 2.209 30 10 IEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N2CCNCC2)sc2c1CCCC2 1858818553 QPUWTRYEGBGLNO-UHFFFAOYSA-N 440.529 2.348 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862673025 ARXCRBXMGUHZPY-HXUWFJFHSA-N 426.444 2.442 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 1862736570 ZZOQDWHBTBMULF-GOSISDBHSA-N 427.388 2.448 30 10 IEEE CN1CCN(c2ccc3[nH]cc(C(=O)Nc4ccc(C#N)cc4[N+](=O)[O-])c(=O)c3c2)CC1 1866442728 DYXNOZDUBRONIT-UHFFFAOYSA-N 432.440 2.312 30 10 IEEE CC[C@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868794813 GQRJFYVWZNDHCV-GCJKJVERSA-N 431.606 2.084 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1889309827 GTCRQUCIUWJKRE-FCHUYYIVSA-N 426.586 2.413 30 10 IEEE C[C@H](C#N)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 2010517801 YDSITHUYBJQKCZ-LJQANCHMSA-N 429.565 2.070 30 10 IEEE C=CCN(CCC(=O)NCCn1cnc(I)c1)C(=O)OC(C)(C)C 2215652219 CBJDYTDTWNXEEF-UHFFFAOYSA-N 448.305 2.417 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2224096631 HRJUPBOGGZQVCN-MRXNPFEDSA-N 433.358 2.189 30 10 IEEE Cc1cnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224130842 GWWGIESTTQNNCV-INIZCTEOSA-N 433.358 2.419 30 10 IEEE CN(Cc1nn(C)nc1Br)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2226989682 SWAQOZXCERMURY-NSHDSACASA-N 429.319 2.123 30 10 IEEE Cc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2232308157 UMWATVGRKPCTKI-BPQIPLTHSA-N 445.369 2.418 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)NCCCOCCOCc2ccccc2)OC1(C)C 2255632478 NMFNAKUPMLKWND-UHFFFAOYSA-N 429.326 2.062 30 10 IEEE CC[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255742979 WDACZQAOHHADLS-IBGZPJMESA-N 446.378 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267096246 RSXNJNTUPZCBCI-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129044 WPKTUSKZUQLKPX-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267161864 IIKLABTYQFLXPD-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1 2267180461 FALDBDPGNZYWOS-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2267228975 RCUCWEVAULTKBV-ZWKOTPCHSA-N 446.353 2.004 30 10 IEEE C[C@@H]1C[C@@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2267483308 QMJDLVZYQBFDCE-IEBWSBKVSA-N 438.381 2.454 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267520612 NMMCJZJECSVROQ-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C 2267529948 RUZSZYHKDXOADR-APWZRJJASA-N 438.381 2.278 30 10 IEEE CC(C)(C)OC(=O)NCCc1n[nH]c(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)n1 2267560073 YCKYRVSVXWDPFG-UHFFFAOYSA-N 447.301 2.016 30 10 IEEE Cc1cccc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267572741 ZLXHLJMDWHPXNE-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)O 2269076366 UFETYAKRGCUXBD-HNAYVOBHSA-N 442.321 2.113 30 10 IEEE C[C@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)CC1(C)OCCO1 2282338374 QWDMPGUHQDIJJD-HNNXBMFYSA-N 425.356 2.053 30 10 IEEE CN(C1CCC2(CC1)OCCO2)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493911 WFBMJCLQTLLMAS-UHFFFAOYSA-N 443.396 2.354 30 10 IEEE Cc1c(C(=O)NCCc2nccn2Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551265 BZKOLHRQRYJDDZ-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 2297060404 VBDXNKGGGIZOCC-NRFANRHFSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2317272390 DIMKTBVSRZKTBA-UHFFFAOYSA-N 436.289 2.180 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)C=Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2328155799 YXUJGHRPFQCCHL-CZAAIQMYSA-N 431.492 2.048 30 10 IEEE CC(C)(C#C[C@H](N)[C@@H](O)c1cc(Br)c(Br)s1)S(C)(=O)=O 2365212421 RNNQWQRHRUKZRL-WCBMZHEXSA-N 445.198 2.460 30 10 IEEE C[C@H](C(=O)NCCC1=CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445393 UZGFWZFTJVBSHK-GOSISDBHSA-N 430.574 2.260 30 10 IEEE Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cs1 107784271 FYERNPYJTWPLID-UHFFFAOYSA-N 436.497 2.455 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(c4cnc[nH]4)CC3)CC2)cc1 434281566 RNUKOSUUZFZUQK-UHFFFAOYSA-N 427.530 2.088 30 10 IEEE CN(CCCC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 439319753 XPEMAJYZNWLBSM-UHFFFAOYSA-N 445.907 2.916 30 10 IEEE COC(=O)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(F)c1 446187864 HXAIUPPHEPVJCJ-UHFFFAOYSA-N 440.431 2.324 30 10 IEEE COC(=O)[C@H]1CCCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCC[C@H](C(=O)OC)C3)c2)C1 462941998 BTVNQMXNEAZTKO-GJZGRUSLSA-N 430.461 2.245 30 10 IEEE CN(C)CCOc1ccccc1N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466109661 VLINCCCXDPFFPS-UHFFFAOYSA-N 437.544 2.409 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C 469363486 MNCJHSCCCZRSAU-LIRRHRJNSA-N 428.514 2.249 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c1 470449118 XJAAEXQNKGXSDD-UHFFFAOYSA-N 443.525 2.184 30 10 IEEE CN(C)C(=O)CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 473032630 GRXHWKPXMLGGGL-UHFFFAOYSA-N 431.606 2.313 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)c1 479203188 GLFILUUAGGKGST-IBGZPJMESA-N 433.461 2.141 30 10 IEEE CC(=O)N1CCC(N(Cc2cncs2)S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 490552807 XBCFZUFFVDFIST-UHFFFAOYSA-N 436.534 2.497 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(=O)c2cnn(-c3ccccc3)c2)cc1 504919724 QKJSNWYLOSLCEK-IBGZPJMESA-N 431.477 2.467 30 10 IEEE C=CCOc1ccccc1CN(C(=O)C[C@@H]1NC(=O)NC1=O)c1ccc2c(c1)OCCO2 538018597 RVPRAZBPPJSOMM-KRWDZBQOSA-N 437.452 2.154 30 10 IEEE COc1ccc(C(=O)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)c(OC)c1OC 538763251 QCGJZHSUCNNVRD-UHFFFAOYSA-N 435.484 2.190 30 10 IEEE Cc1ccsc1[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 538888759 RNPPUKSJABECSU-GOSISDBHSA-N 433.555 2.179 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H]1c1ccc(Cl)cc1 544854045 JSZZHTWGWFVXRT-GHTZIAJQSA-N 438.919 2.410 30 10 IEEE Cc1nsc(N2CCN([C@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1C#N 573022441 GSZHYFVIMDOZCL-UYAOXDASSA-N 438.601 2.224 30 10 IEEE CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608966678 UCQMALSMBZMKOX-UHFFFAOYSA-N 437.456 2.385 30 10 IEEE N#Cc1cccc(N2CCN(c3cnn(-c4nc5ccccc5[nH]4)c(=O)c3Cl)CC2)n1 612799654 CGSHKWVKVVRKMV-UHFFFAOYSA-N 432.875 2.355 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@@H]1CCOC1 676726428 CCYKNECOVCCLDH-KRWDZBQOSA-N 445.544 2.367 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccccc1 726575472 VCZTZCBCYFQETJ-HNNXBMFYSA-N 434.565 2.427 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C(C)C)c2)c1=O 732795493 KFFNYNGVGFDLFK-UHFFFAOYSA-N 435.553 2.013 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NO[C@H](C(=O)O)C1CC1 757486842 RUPMVBHBYJIWDE-QFIPXVFZSA-N 434.448 2.440 30 10 IEEE COCCN(Cc1ccc(Br)s1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 757645556 OPKGOBKQPWKYPE-WUKNDPDISA-N 442.335 2.402 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)nc1 761019876 BYVSQTBBGCJCLJ-GOSISDBHSA-N 431.470 2.038 30 10 IEEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4cccc(F)c4C#N)CC3)C2=O)C(C)(C)O1 764890257 IZTMRJMDVUAUJR-JOCHJYFZSA-N 429.496 2.045 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 766930194 CEFRVYXMFBROFA-VQFNIZELSA-N 426.517 2.293 30 10 IEEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 767697267 BJCYELSIZIKKNV-QGZVFWFLSA-N 438.546 2.064 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCN1C1CC1 777945701 PTUPAWGVQQTNQJ-RHSMWYFYSA-N 425.938 2.116 30 10 IEEE C=CC[C@H](C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 778734500 LJIHKSMLFVHPQB-AWEZNQCLSA-N 429.322 2.387 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(-n4ccnc4)cs3)cc2)CC1 783845978 JSEUAGDBHLDYIF-UHFFFAOYSA-N 430.559 2.316 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 787052886 OHFKXOWBSSHTRL-WIYYLYMNSA-N 446.463 2.462 30 10 IEEE C#CCn1ccc(CN(CCOC)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n1 788560751 ZYIIVRZHRJCRAD-UHFFFAOYSA-N 446.407 2.371 30 10 IEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802578007 HJJXHLZWYUSLLV-XKDCRVNJSA-N 440.500 2.383 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 805780257 JBWGHTNMGUENGG-SFHVURJKSA-N 432.571 2.102 30 10 IEEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(N2CCCCC2=O)cc1 812038081 GKCKEQBYNYHOLK-ANNUQZOISA-N 425.489 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812385619 YWLMPHAMWAPCRA-RTBURBONSA-N 443.548 2.086 30 10 IEEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(C)c2C)n1 1084341888 HNUCNEIWQRZHKV-UHFFFAOYSA-N 428.522 2.018 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)C2([C@H](C)NC(=O)OC(C)(C)C)CCOCC2)c1 1125294340 QBTVFKNWGCOXII-INIZCTEOSA-N 429.517 2.433 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(CO)Cc2ccc(OC)cc2)ccc1F 1154285727 SVPROKQAEDSTBE-NRFANRHFSA-N 436.505 2.022 30 10 IEEE C#CC[C@]1(C(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)CCCN1C(=O)OC(C)(C)C 1158572928 DFZUYCNFKBPVHN-OYHNWAKOSA-N 430.505 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C12CCC2 1163819036 BQDOFTIQSDMVGN-QZTJIDSGSA-N 447.557 2.425 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)(c2cccc3ccccc23)C1 1164027489 PRIWDIXUYSEFIC-MRXNPFEDSA-N 435.505 2.108 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1166675390 VKZZAKKBGMNGND-NVWMPKGRSA-N 444.491 2.416 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 1174783763 UYCNHEGPCVSSNU-RBUKOAKNSA-N 447.557 2.212 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1177592005 HGQVNSTVWOQHPN-VHEBQXMUSA-N 438.406 2.387 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OCC 1213383544 TUQASGSPJRLKDP-OAHLLOKOSA-N 435.329 2.158 30 10 IEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1256626084 IDIIUFDYDAUFBH-SVGJNIJCSA-N 436.604 2.426 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCN(C(=O)c4ccccc4)CC3)n2CC=C)C1 1256626859 NWAQYZVZLJWGMV-OAQYLSRUSA-N 436.560 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C1CCCCC1 1286281478 HNWRMWROZPSIKW-KRWDZBQOSA-N 447.547 2.170 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286317654 TYSWPDRNBNNHSO-UHFFFAOYSA-N 440.573 2.480 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286355828 BANJFGTURZRQRJ-LJQANCHMSA-N 440.573 2.213 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cc(OC)ccc21 1286376983 QHWXQOFDIHFREC-ROUUACIJSA-N 428.558 2.378 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286379970 AKNLCESWDDHJPU-KDURUIRLSA-N 427.549 2.434 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCSCC1 1286424619 DPHISSMFMKERQL-UHFFFAOYSA-N 439.585 2.474 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)CCC)CC1 1286475021 VCSMOGHHCVCZDY-QHCPKHFHSA-N 427.549 2.269 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCOC(C)(C)C)CC1 1286484396 NFGZAEBGEONYRP-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1286643412 HRUAKKXQHZHMJO-UHFFFAOYSA-N 449.577 2.448 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C(=O)NCC)CC1 1286655462 MQNFRSKMZDWIDJ-UHFFFAOYSA-N 449.563 2.486 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1286680083 WPKOFWJGYJVDRC-ZWKOTPCHSA-N 431.562 2.070 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1286689251 ZKDMBVISGYRSAD-QGZVFWFLSA-N 426.583 2.372 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1286727790 ZWSRJYOBWCBYDN-MRXNPFEDSA-N 441.598 2.324 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@H]1C 1286744791 OKJRABDDZQVBRN-GOSISDBHSA-N 444.555 2.469 30 10 IEEE CC(C)(C)OCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1287079975 OGQTVHFDJYMLBD-UHFFFAOYSA-N 433.520 2.143 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1288524281 BDKYXGIRMPXVDS-AUUYWEPGSA-N 433.472 2.071 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1300310082 WPFIBCUNDIDBCA-TZMCWYRMSA-N 427.452 2.100 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300488236 CAZVHQHASLXLEN-RTBURBONSA-N 428.558 2.387 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300502813 XYXXJWAZAKQLCP-HXUWFJFHSA-N 433.622 2.122 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2ccsc2)CC1 1300703814 TTWGKWUEQPYHLR-NRFANRHFSA-N 442.614 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1300727304 WETNCWDDYRVDKG-BEFAXECRSA-N 440.548 2.156 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(C)(OC)C1 1300740736 CDCVNFWLJLKVNJ-UHFFFAOYSA-N 448.618 2.138 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300964981 ACFGFFSFAWNLGN-OWCLPIDISA-N 439.582 2.248 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1301492766 NGLHBFCVKHAERH-MRXNPFEDSA-N 435.536 2.095 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCCC1=O 1302287557 YLVYHXIKLRIFCL-LQBOVUBWSA-N 448.543 2.237 30 10 IEEE C#CC[C@]1(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)CCCN1C(=O)OC(C)(C)C 1304891165 AJLCYJHJXIHMET-LHSJRXKWSA-N 449.939 2.324 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)Nc1ccc(C#N)cc1)C[C@H]2C(=O)OC(C)(C)C 1308065354 MKGMRUYSJKASIP-HRZDDSQGSA-N 427.501 2.340 30 10 IEEE CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1313490662 HWOZGMCPAFMRLZ-UHFFFAOYSA-N 432.532 2.008 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCOC1 1314080331 CWWGNIHZPNHEMY-GOTSBHOMSA-N 441.532 2.244 30 10 IEEE CCSCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314617021 SDMWLHHRWJOSHL-IAGOWNOFSA-N 442.593 2.302 30 10 IEEE COC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1315138439 FNUVYQQZJKCFPX-NRFANRHFSA-N 428.516 2.319 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)c1 1315347900 AMGAMWIIKORZAN-HXUWFJFHSA-N 426.456 2.074 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1 1316101017 FQRAKSCZVXWCPY-UHFFFAOYSA-N 440.596 2.041 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1356418421 BQFKRAPHHXWARV-OAHLLOKOSA-N 431.901 2.284 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1358427650 FFCRBIOVVWWJPO-HXUWFJFHSA-N 440.523 2.029 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1358887859 CXKPVBBEJOGPOF-ZSYWTGECSA-N 447.580 2.390 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1358919778 KEDMTIYSTNESLJ-QGZVFWFLSA-N 445.589 2.178 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1358999648 ZCIFIOZMLXHDDR-UHFFFAOYSA-N 448.474 2.216 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCOCC1 1359052693 NELGDVUHFIGXBK-UHFFFAOYSA-N 438.561 2.150 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1359061824 NDSCRTSGHUANNT-KRWDZBQOSA-N 441.557 2.043 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1359266219 WRZUFWFVJDMTCY-SFTDATJTSA-N 430.597 2.149 30 10 IEEE CC(C)Cn1[nH]c(CC(=O)Oc2ccc(C#N)cc2I)cc1=O 1436073378 KDZUIWCVCYCAJK-UHFFFAOYSA-N 425.226 2.457 30 10 IEEE COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(CC#N)CCC(=O)OC)cc2)c1C 1438604757 ZOEJWXXIPICXFL-UHFFFAOYSA-N 426.473 2.124 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(I)c2N)CC1 1440762090 LNZFZEDCJUMMDA-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE C=CC1(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1455229134 GSIJVLPTHAUPBQ-UHFFFAOYSA-N 434.581 2.132 30 10 IEEE C=CCC1(O)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)C1 1455687476 MWQQOYVASKAKJE-UHFFFAOYSA-N 430.482 2.022 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C(C)(C)C 1465139159 UQCUXBJTSSXSRE-HXUWFJFHSA-N 448.589 2.477 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 1469054206 GHCXIYUALCDLCU-UHFFFAOYSA-N 435.546 2.070 30 10 IEEE CS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(Cl)cn1 1469673994 FWQCYLFMRNKOOI-UHFFFAOYSA-N 432.933 2.405 30 10 IEEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1471526461 PBXHZWFSARODKT-JTQLQIEISA-N 437.333 2.437 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Cl)c3ccccc23)CC1 1478500722 LAIRLPGCNYJGKW-OAHLLOKOSA-N 434.949 2.349 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CCOCC1 1479008649 WBAPESHSUBCMAF-KSSFIOAISA-N 427.314 2.467 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)OC 1495032400 DIOCOJFJPRBWDX-QFBILLFUSA-N 426.521 2.116 30 10 IEEE CCS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N 1503282963 ARUMSCKFKZCCRM-OAHLLOKOSA-N 429.550 2.028 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnnn1CC1CC1 1507611852 SJLQUIYYKFSMCG-UHFFFAOYSA-N 445.300 2.361 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)CC 1507701472 ICKCZTTVZJUIJY-UHFFFAOYSA-N 441.532 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@H]1C(=C)C 1507710488 PKDQZSQNXSMATP-JXFKEZNVSA-N 427.505 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC(C)CC2)CC1 1507736207 HQIHKMHHQZOSPL-UHFFFAOYSA-N 437.592 2.361 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1508040207 UMMSKIOJADVBNM-FQEVSTJZSA-N 427.549 2.306 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508073689 OTAWYHPHSSYKEZ-INIZCTEOSA-N 442.951 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](CC)OC)C1 1508117732 NWUJUQFJEFANKO-IRXDYDNUSA-N 448.593 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1508138884 ACTSRAVICFZVCG-UHFFFAOYSA-N 443.573 2.027 30 10 IEEE C[C@H]1CN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1512522783 GOGQEIARZCCDNN-PGRDOPGGSA-N 427.528 2.207 30 10 IEEE CC[C@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1513999700 GEHVKEFIAHSTSR-LPHOPBHVSA-N 446.577 2.245 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1514254830 IDIFZPGHNUXQDS-WOJBJXKFSA-N 435.525 2.342 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1516963831 CKGZBSMVNYNOKI-LJQANCHMSA-N 440.548 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(C#N)cc2Cl)C1 1517071475 HPJINALYWPXDHU-BFUOFWGJSA-N 439.921 2.432 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1 1517123481 CVEMILOFXSUMIT-QZTJIDSGSA-N 431.587 2.441 30 10 IEEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1517146447 HOVSJDINVOSWGP-QGZVFWFLSA-N 440.529 2.328 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@H]1CCCO1 1519436750 OMIYLYHVNZNVTQ-TWFHAPMSSA-N 437.516 2.030 30 10 IEEE COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1538727701 ZQGOXDWKCDCUEC-BGZDPUMWSA-N 425.272 2.336 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)C(C)(C)C 1538983080 NKQPBPJRZOCEJC-WQIZZMQYSA-N 436.603 2.354 30 10 IEEE C#CCCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539086763 LGWNWVUODFSBNK-HSZRJFAPSA-N 441.580 2.182 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1539153683 IIZIYCCEFXIHRV-LJQANCHMSA-N 439.438 2.492 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N2CCOCC2)CCSC1 1539154090 GRHJUXNEXGLGTF-NRFANRHFSA-N 442.545 2.131 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1539446114 QXQQNKALUJFTQR-KRWDZBQOSA-N 432.450 2.052 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)CC)CC1 1539476481 YBAPRPZLCHTGCW-UHFFFAOYSA-N 442.951 2.043 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 1539548651 MOIHNNQKGYYFNH-IFMALSPDSA-N 447.457 2.404 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@H](C)C1 1540086801 BTAKYGGGOMOKET-CALCHBBNSA-N 432.594 2.391 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1540126496 HWTBXWMRDUSJMY-QFIPXVFZSA-N 441.557 2.026 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1540617159 VOZDXZQYACJBHP-UHFFFAOYSA-N 449.573 2.204 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)C1 1540890485 FRXIICRTTXLKKQ-ZWKOTPCHSA-N 429.521 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(CC)C1 1540901698 MHWLZHFNSRBPRF-FQEVSTJZSA-N 435.550 2.233 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1541115613 BTUZQLKEYQTYRG-SJORKVTESA-N 441.561 2.216 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCO[C@@H](C)C2)n1 1543011081 BIUUPXYADPMFFT-XLIONFOSSA-N 428.585 2.237 30 10 IEEE C[C@]1(c2cccc(CNC(=O)c3cccc(C#N)c3Br)c2)NC(=O)NC1=O 1545079882 NZAWGFNOVBTHHS-LJQANCHMSA-N 427.258 2.305 30 10 IEEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1554578907 DEHGAOGMICUITC-HSZRJFAPSA-N 438.532 2.103 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)(C)C 1554666701 FUNQLSMKLRIFQB-QFBILLFUSA-N 440.548 2.457 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCOC(F)F)cc1 1555989239 DIMWGHBALOMSDI-WBVHZDCISA-N 430.459 2.408 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(Br)cc1OCC)c1cc[nH]n1 1566284881 VIXFATXFAWHNHL-UHFFFAOYSA-N 439.266 2.493 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOC[C@@H]3[C@H]3CCCC3=O)C2)C1 1567478818 PKASCUBZPNZBKB-XBILXKOZSA-N 431.533 2.370 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(I)ccc1N1CCCCC1 1569675617 CIUFWAPOJQVHFZ-CQSZACIVSA-N 443.285 2.392 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc(C2(C#N)CC2)cc1 1570673185 AMTPSZVLYWVVMA-UHFFFAOYSA-N 428.470 2.200 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)ccc1F 1585734040 NZQACVKEQUFQSF-UHFFFAOYSA-N 446.504 2.140 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1587260702 LHAVXQGXSGFPBM-CZUORRHYSA-N 434.436 2.160 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1587392714 RVJSDUVVQCYPOZ-ZDUSSCGKSA-N 431.352 2.248 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1587568146 NQGKYXJGALEGHD-CVDCTZTESA-N 431.581 2.033 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588025448 ZYRUGHQRLUGVKU-LXPRWKDFSA-N 447.605 2.138 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588075158 ZHICWZLXLKPCGR-IIMDRIAPSA-N 436.578 2.104 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1595094819 YYSMXKCKCMTQPA-NQIIRXRSSA-N 449.559 2.014 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC 1595099835 JMMFVZYJEKFABC-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC(C)(C)C)C1 1595673885 KZLHNKKXEJBPBZ-MRXNPFEDSA-N 441.536 2.012 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(C)c1 1595797767 IIVQQVXXNFMHIZ-GOSISDBHSA-N 434.562 2.336 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1595900611 HAQSHGUZDFJQAW-UHFFFAOYSA-N 438.557 2.459 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)CCO2)cc1 1598186207 QYVIXOGVEJICIZ-ACRUOGEOSA-N 439.512 2.440 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1611625049 DVSQRHANDOZGOQ-XOBRGWDASA-N 430.488 2.338 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2Cc3ccccc3C2)n1Cc1ccc(C#N)o1 1611662005 VUDNUXMRBDIVQF-AWEZNQCLSA-N 440.529 2.005 30 10 IEEE CCc1nc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)no1 1613869356 CNPXDJBKBWKYJG-CQSZACIVSA-N 443.533 2.133 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1=O 1614875089 GDDVNJOPXSUSKU-OAHLLOKOSA-N 437.399 2.083 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)n[nH]2)c1C 1617762689 LEYBKRFPAQDJGJ-GOSISDBHSA-N 448.527 2.486 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N3CCOCC3)CC2)c1 1619123089 CTSUZVOJFXBFDQ-KRWDZBQOSA-N 440.548 2.423 30 10 IEEE COCCN1CC[C@@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1628163555 RASTZHLQNZNVHQ-QUCCMNQESA-N 428.533 2.229 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 1632328535 KUUKZJZKLJIIGO-UHFFFAOYSA-N 448.495 2.244 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)CC1 1633103316 AMMBQERGUOCEQF-IRXDYDNUSA-N 440.363 2.125 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1635342927 JHEZREXEDMLSQJ-KRWDZBQOSA-N 432.498 2.316 30 10 IEEE C#CCN(C(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1636636566 VTKURCYPDHZBHZ-ZWKOTPCHSA-N 447.557 2.185 30 10 IEEE Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637512934 KKZHMPKFOXPOGN-UHFFFAOYSA-N 441.444 2.001 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)n[nH]2)c1C 1638717325 BLXJIYQZXCSNMW-HNNXBMFYSA-N 441.513 2.041 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NCCN=[S@](=O)(c2ccccc2)C(F)(F)F)cc1 1643428927 RPFSOMJGBOFMCD-PMERELPUSA-N 438.431 2.451 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)Nc1cccc(C#N)c1)C[C@@H]2C(=O)OC(C)(C)C 1644462153 URAQQMAKGUHYJC-BISSLNBESA-N 427.501 2.340 30 10 IEEE Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1644637373 WRINCEKZFKAEPK-IIMJZQEZSA-N 430.555 2.316 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CO)Cc1ccc(OC)c(OC)c1 1644951129 FDCCUYYKUOQVIP-SBUREZEXSA-N 434.533 2.420 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)OC 1648842249 BDGDXURHNANEDB-QGZVFWFLSA-N 430.482 2.099 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1649543888 RTPZMUVJDGAYEG-OAHLLOKOSA-N 435.550 2.376 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CO1 1653131939 GGCLAPQXLBVEBF-UONOGXRCSA-N 434.880 2.232 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nn(C)cc2Br)cc1 1658320369 IOLXXHWRUKRGPG-UHFFFAOYSA-N 442.339 2.311 30 10 IEEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC[C@@H](OC)C1 1659246159 HOWAKHJRSWMGFR-XFQXTVEOSA-N 425.489 2.019 30 10 IEEE C#C[C@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(Br)cc1 1659327646 JRKZAZHHDSFUTP-AWEZNQCLSA-N 425.308 2.186 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 1664702596 VBJVBTUYXSJXFI-IRXDYDNUSA-N 435.546 2.375 30 10 IEEE CC(C)(C)c1cc(NC(=O)N2CCN(S(C)(=O)=O)CC2)n(-c2ccc(C#N)cc2)n1 1671278611 AJVHOZYQPCVXIM-UHFFFAOYSA-N 430.534 2.151 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 1684470662 DAHYEXWIBHMDFT-JOCHJYFZSA-N 433.512 2.200 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689994115 RGZCADCAGZWPHP-DFQSSKMNSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(Cl)c(OC)c1 1689998841 YKYBAMYTCSNGMR-UHFFFAOYSA-N 425.920 2.492 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1690001759 ROXIYSPIVZFGDX-INIZCTEOSA-N 432.459 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1690009668 GAXGGTRXRSHTKN-OAQYLSRUSA-N 425.496 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1F 1690047471 RLCOGJRMFWIETG-INIZCTEOSA-N 434.924 2.484 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1690265352 NBDZHTJKZHMIRC-GOSISDBHSA-N 437.541 2.201 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1690410638 SFMRTROHWBBVTI-LJQANCHMSA-N 440.523 2.130 30 10 IEEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677015 KTKSOZDVDCCKBV-QFIPXVFZSA-N 435.569 2.015 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCCCC2)C1 1690709382 GNDRBIJPCUGMCB-IBGZPJMESA-N 430.597 2.446 30 10 IEEE C[C@@H]1COCCN1CCn1c(COc2ccccc2F)nnc1N1CCC(C#N)CC1 1693857278 GHQYLJWKTJADFE-QGZVFWFLSA-N 428.512 2.457 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1696419373 YZDHQEGBZGTZQD-FQEVSTJZSA-N 440.548 2.460 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1696592324 NFBNJXXTMPQZQO-MRXNPFEDSA-N 442.430 2.337 30 10 IEEE COc1ccc(COCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1697466443 WUXSXKRKQKZTGS-AZUAARDMSA-N 427.505 2.126 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CCO1 1697894220 NPIYSUKPSQXDPA-RTWAWAEBSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1705492221 NKNJIXMSBIXGQH-AVYPCKFXSA-N 434.587 2.188 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1705609898 VKESSDHVOCXLJZ-SFHVURJKSA-N 432.528 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCOC(C)C)CC1 1705649513 ANVOWTYKEAXKAX-UHFFFAOYSA-N 427.524 2.399 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705693752 KDOQPHWYHMVAAF-FPOVZHCZSA-N 430.597 2.127 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](COC)C1 1705706045 OUPXBDPUYMBVMB-KPFFTGBYSA-N 433.578 2.467 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705819707 SHMMEEMVYJZSIT-APWZRJJASA-N 447.561 2.275 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705830268 LZXVEBDJIOIGBC-PXNSSMCTSA-N 441.532 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705899046 GUPNLFXXAQQJQC-KRWDZBQOSA-N 437.504 2.332 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705901158 CHAGIQCLIKMYQR-RDJZCZTQSA-N 430.553 2.293 30 10 IEEE CCc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)o1 1708982092 CPXWXURAKKXBNP-QRWLVFNGSA-N 432.550 2.217 30 10 IEEE CC/C=C/Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709382558 CPPHJZODTIXPNL-LKGOPFMKSA-N 442.568 2.209 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C1 1712585655 MVCJZFAMMUWMJZ-OFNKIYASSA-N 441.532 2.254 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C1 1712874815 CSMDXVRLFYUDMD-SFHVURJKSA-N 444.364 2.370 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCOc2ccc(F)cc2)CCO1 1712885964 DNXRTHGRUSWJRR-LJQANCHMSA-N 442.495 2.128 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1722291103 CFCGRAGZLHIALG-DLBZAZTESA-N 432.569 2.377 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722358537 CRZNHJHOMCXEHG-KRWDZBQOSA-N 434.949 2.140 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1722361026 KRDOUAZKIYBIGS-INIZCTEOSA-N 431.468 2.226 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722361446 NISSIKQECROMIW-NEWSRXKRSA-N 431.562 2.028 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(CN2CCOCC2)CC1 1722455512 OPBJLUYRYWEZRE-UHFFFAOYSA-N 428.606 2.199 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC1COC(C)(C)OC1 1722462630 PEAIRVVFPCJZFL-UHFFFAOYSA-N 432.594 2.341 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722644992 WQAWXGHRYRRIKY-GVDBMIGSSA-N 425.599 2.100 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@H](CO)O1 1722911501 QIQDFMJIUIAFMZ-ZWKOTPCHSA-N 442.539 2.453 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1OCCN(C)C 1723575904 CCHPPGGVEYIRRL-UHFFFAOYSA-N 439.564 2.145 30 10 IEEE CNS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N 1729736382 BGVLXFXNNMFXKZ-KGLIPLIRSA-N 440.957 2.217 30 10 IEEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N 1729736383 BGVLXFXNNMFXKZ-UONOGXRCSA-N 440.957 2.217 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCC(OC)CC2)CCCC1 1740558589 TYYQUQVAOJZERC-LJQANCHMSA-N 442.608 2.282 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1740562177 IXXRCCUOLOOSIY-NXOAAHMSSA-N 444.580 2.421 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC(=O)NCCc1ccccc1 1740654945 UOGAFMBIMGODKT-UHFFFAOYSA-N 426.524 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1740658967 HYDSFVLRLQRKKD-RTBURBONSA-N 446.617 2.484 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1740676531 FUZICLAZAZNGOA-OALUTQOASA-N 446.548 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1740683844 PTHGMQWUNWWPPN-UHFFFAOYSA-N 441.557 2.100 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 1740686936 YVMAXTHPVJGAMQ-INIZCTEOSA-N 439.438 2.252 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740769029 YVTVSMMNCJRPFY-XQQXVUDOSA-N 448.564 2.299 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1740774619 WNZNGXSIAVUGII-INIZCTEOSA-N 435.550 2.043 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740880902 QKHHIISAUZQHDH-KSZLIROESA-N 426.583 2.372 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1740923252 HPTSFNGXNSXMPC-HNNXBMFYSA-N 447.590 2.094 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1740932641 SCFZKYJAJRIZIQ-KRWDZBQOSA-N 437.591 2.094 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccs3)CC2)n1Cc1ccc(C#N)o1 1741674171 IFDUTBSPKCMEMX-UHFFFAOYSA-N 425.518 2.317 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1741805739 DPCMMZCXWFCBCI-OIISXLGYSA-N 445.568 2.313 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(C(N)=O)CCOCC1 1748828492 FJLZKXUBKGXCJE-UHFFFAOYSA-N 442.523 2.157 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CSCCS1 1748875065 IKWHQAPHVOPCIW-MRXNPFEDSA-N 426.571 2.237 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](OC)C2CC2)CC1 1749006678 XFDRBBGBDUOHMU-OAQYLSRUSA-N 437.544 2.345 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749231309 LWVQXAFTGHACHR-MRXNPFEDSA-N 446.502 2.296 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F)C1CC1 1749519270 HTRLCYQVMQHOTE-IBGZPJMESA-N 449.552 2.262 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749671436 AOQCJQDLQVLFQR-MOPGFXCFSA-N 445.951 2.209 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](OC)C2)cc1 1749683015 GQKUMNRNGYVVTE-VQIMIIECSA-N 449.577 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCc3nccn3C2)C1 1749694502 SVHBBJISXYEIRW-IEBWSBKVSA-N 441.580 2.437 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)cc(OC)c2)C1 1749713566 UZRISXBSALSUJY-MOPGFXCFSA-N 446.573 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(OC)CC1 1749732182 RPOPZHZCJJEFLM-XLIONFOSSA-N 426.583 2.168 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)F)CC1 1749752179 KPXLVASBLQXCPH-UHFFFAOYSA-N 440.520 2.312 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1750451370 GRKHJMUPWPDLCK-RTWAWAEBSA-N 438.576 2.309 30 10 IEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1750534520 ATOJSDZMDHTSSH-UHFFFAOYSA-N 438.454 2.184 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnc1C 1760111653 QKPIVBVDGBWENQ-INIZCTEOSA-N 430.516 2.245 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)COC)c1 1760126449 ZBOBWFIPKSSNMY-UHFFFAOYSA-N 435.532 2.407 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1760182144 HCYQEILBQMAMTM-GOSISDBHSA-N 431.562 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCc1cn[nH]c1 1760212110 SNANLFCXDDPCPV-UHFFFAOYSA-N 426.322 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1=CCCOC1 1760243631 CCYPUFIHMMQJST-UHFFFAOYSA-N 434.338 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1760294771 GFVPPBCVGHFKTC-IIBYNOLFSA-N 431.443 2.164 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760371175 QMABXFNLKRLVKW-CYBMUJFWSA-N 448.318 2.278 30 10 IEEE C=CCN(c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O)C1CC1 1760473154 ZNQIFZYOHHTZGR-UHFFFAOYSA-N 440.367 2.412 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1760523800 IBNLBYHTSBAXBS-GCJKJVERSA-N 429.496 2.059 30 10 IEEE CC(C)CSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1761155147 RPZOUDLFLAFMFL-UHFFFAOYSA-N 448.618 2.288 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1762698673 HEABXXCOESEXFX-QGZVFWFLSA-N 438.532 2.091 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1OC 1765012702 FQFMAUJHUYTNIB-DFQSSKMNSA-N 438.532 2.259 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC#N)CC1 1765559345 CWRUOVPKMBPBOJ-UYAOXDASSA-N 441.628 2.152 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(C)=O)nc1 1771179555 WOCRZEUXUDLEPO-HNNXBMFYSA-N 427.509 2.144 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1771535356 KFHDHPIXXWVVOF-MSOLQXFVSA-N 438.523 2.268 30 10 IEEE CO[C@@](O)(C=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 1848438731 AFBYZYSMDWGZQJ-NFXGRNOLSA-N 446.540 2.299 30 10 IEEE Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 1848858292 OJTMCIYFRVXFCE-SFHVURJKSA-N 428.496 2.395 30 10 IEEE Cc1nn(C)c(Cl)c1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851981002 FOGFUQYRBRZHRN-UHFFFAOYSA-N 429.333 2.343 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)NC1=O 1851982972 GQHPCKCUKADTNB-HXUWFJFHSA-N 444.491 2.403 30 10 IEEE CCCCN1C(=O)CC[C@@H](C(=O)N(C)C(C[N+](=O)[O-])=NC)[C@H]1c1cccc2c1OCO2 1853019027 UKBHHSVXDLMQBV-DNVCBOLYSA-N 432.477 2.259 30 10 IEEE COc1ccc(SCC(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1 1854997642 CZZKRCCDBQWQEK-QZTJIDSGSA-N 430.574 2.225 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1 1856754554 FEBRAKPZMCRVOX-UHFFFAOYSA-N 446.916 2.200 30 10 IEEE CCCCS(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 1858630490 IYCUWOBGJNBVBQ-HNNXBMFYSA-N 438.619 2.431 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c(O)c1)c1ccc(Br)cc1 1862470046 DLPRKFRURSQPFE-INIZCTEOSA-N 434.242 2.431 30 10 IEEE C=CCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccccc2[N+](=O)[O-])C1=O 1863244118 FMAWGOTZJAIVOJ-UHFFFAOYSA-N 427.438 2.376 30 10 IEEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868794781 GIKSPNNFWVXGRN-RTBURBONSA-N 432.590 2.150 30 10 IEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1ccnc(Cl)c1 1870109865 MYSVRUNQADEZLC-UHFFFAOYSA-N 441.791 2.273 30 10 IEEE CN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCc2cnc[nH]2)CC1 1870349434 NTCAWEBOLMESEW-UHFFFAOYSA-N 432.528 2.012 30 10 IEEE C=CCNC(=O)[C@@H](CSCc1ccccc1)NS(=O)(=O)c1ccc2nc(O)oc2c1 1872597659 YTKIDLUVWJEZMM-QGZVFWFLSA-N 447.538 2.416 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccn1C 1874431579 RIUYBWNKZKOOCT-FOKLQQMPSA-N 439.545 2.483 30 10 IEEE CCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)cc1OC 1874433861 BBGUKOLEARSHIM-SSDVNMTOSA-N 449.533 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](Nc2ncc(Br)cc2C#N)C1 1877657523 CKPHYPPHIDFPOE-OLZOCXBDSA-N 445.339 2.160 30 10 IEEE COc1cc(Cn2cccc(C(=O)N3CCC(C#CCN(C)C)CC3)c2=O)cc(OC)c1 1890211099 SEWXUJQWWAHJNM-UHFFFAOYSA-N 437.540 2.331 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2014246787 HPHSCLOXLOAETP-HRCADAONSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2247251780 ZSHZVAIBRDTNFC-UHFFFAOYSA-N 426.294 2.440 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247904262 NPLCLMDUOWJJPK-OALUTQOASA-N 437.367 2.468 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]2COC[C@H]21 2255343469 XELBFURNLSHBOJ-XHSDSOJGSA-N 432.326 2.394 30 10 IEEE Cc1cnc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2255612220 ODNZQRBYIDYUQH-UHFFFAOYSA-N 431.342 2.476 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2255697817 DOYGPFWPPGAQFH-ZBFHGGJFSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255825919 HRKSLMKAEMGUJE-KGLIPLIRSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255875208 UFLZNBNLSFHELP-OAHLLOKOSA-N 429.326 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C1)C2 2267140426 QFWKBNTTZPUNBK-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2267142599 WJGODDYTDXEZRT-AWEZNQCLSA-N 448.373 2.332 30 10 IEEE CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267181414 RXZWENYYTFWSJY-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267483000 MDLPQIOHMKFFPJ-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CCc1nn(C)c(C(=O)N(CC(=O)OC)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267515490 OZWAXGRAIMHPIY-UHFFFAOYSA-N 441.337 2.097 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267519256 GNLRXFNTHNEUJM-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 2267528166 QJXAYYSRWIAVDE-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CC(CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267530870 HIOCQQVVRUDCBO-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]12)B1OC(C)(C)C(C)(C)O1 2298380796 RUTDGLCFKNTSHQ-JYJNAYRXSA-N 442.387 2.491 30 10 IEEE COc1ccc(OC)c([C@H]2CCCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 31583186 VSKVZXBJEYSTBK-HXUWFJFHSA-N 439.516 2.358 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N2CCN(CC(=O)c3cc(C)n(C)c3C)CC2)cc1 62691959 HRVNTVVMXWWEHT-UHFFFAOYSA-N 432.546 2.054 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N(C)CC/C(N)=N/O)cc1Br 155813424 ZFPOVJNZYKZASD-UHFFFAOYSA-N 429.134 2.277 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSCC 460803956 OHTLBHRYTLDWNH-HZPDHXFCSA-N 431.628 2.155 30 10 IEEE COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](C)n3cnc(C#N)n3)ccc2C)cc1 466947943 CXMDYHINUKSQDV-AWEZNQCLSA-N 440.485 2.467 30 10 IEEE N#CC1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN(Cc2ccccc2)CC1 479215080 LEQKTGJYEDCMEB-UHFFFAOYSA-N 431.456 2.464 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(C#N)c1 485325044 XLMIIHZMMZJGRP-UHFFFAOYSA-N 437.518 2.479 30 10 IEEE N#C[C@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccc(Br)cc1 499388586 CQYFUKGOFWRZRZ-INIZCTEOSA-N 440.305 2.484 30 10 IEEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCCN(c4cccnn4)CC3)n2)c1 501917071 OEGIBAMZKNNRRZ-UHFFFAOYSA-N 433.497 2.149 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCC2 503115920 JJMPBIUXBXIJND-OAQYLSRUSA-N 435.546 2.478 30 10 IEEE COC(=O)[C@H](C)Oc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 506791556 WKOABQNQLGEASP-KRWDZBQOSA-N 443.525 2.005 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 523257648 DRTYRZFRYUVLCT-MAUKXSAKSA-N 426.538 2.216 30 10 IEEE COc1ccnc(N2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)n1 532570976 JQEAAXXFGVQYDR-INIZCTEOSA-N 426.546 2.498 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cccc(COC2CCOCC2)c1 543757383 ACSMVFWSRLQSAN-UHFFFAOYSA-N 426.521 2.333 30 10 IEEE CC(C)Cc1ccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 582627443 XNJSFSVHIZHFBO-JOCHJYFZSA-N 440.525 2.393 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 603797273 CJWNLFLXEVMBSY-LJQANCHMSA-N 431.517 2.231 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CC1 603804550 ZNKAPCIMLCPMDL-UHFFFAOYSA-N 430.394 2.047 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1-c1ccc(F)cc1 603923118 OKFHCANBJOADRV-UHFFFAOYSA-N 447.413 2.306 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)c(Cl)c1 619763709 QOAYSRFFHAKHED-UHFFFAOYSA-N 433.917 2.471 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)no1 730141198 NXEGIZJMENQAJN-GOSISDBHSA-N 429.546 2.491 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 734292274 IGMBGXFBYVQJLT-SFHVURJKSA-N 443.500 2.292 30 10 IEEE Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)cc1 737304725 AXOXVIAXDYKVOL-QZQOTICOSA-N 434.452 2.368 30 10 IEEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCO1 741249056 QLSJTWZHFOPEBR-IBGZPJMESA-N 428.464 2.307 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOc1ccc(C#N)cc1 742103705 CTWJWCFRCPCONG-IBGZPJMESA-N 440.525 2.351 30 10 IEEE COc1ccc(-c2cc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)n[nH]2)cc1OC 751844094 QRNAVGGBDSUFSO-UHFFFAOYSA-N 426.454 2.393 30 10 IEEE C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 755058944 GYMMDPFVZAJXRQ-RRGFCBMYSA-N 439.285 2.345 30 10 IEEE CC(C)CN1N=C(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)CCC1=O 766879619 QRSCALJVHYXGDO-UHFFFAOYSA-N 425.529 2.438 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 769721777 GSSUNCDRRBNOHQ-HNNXBMFYSA-N 443.257 2.355 30 10 IEEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCOc2ccc(C#N)cc2)C1=O 769963968 VWZKXJJTJWFGPV-OAQYLSRUSA-N 444.850 2.313 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)C1=O 770113466 WYEOMWLTLRMXSQ-JWQCQUIFSA-N 446.507 2.338 30 10 IEEE COc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)ccc1F 788054567 QHVKXGLQMXVPSO-UZYVYHOESA-N 441.506 2.448 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 788578041 UFZRHUCPVMXWOS-JHGYQWQCSA-N 447.561 2.024 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 812184134 KYUFLMPHUGCZQR-HTAPYJJXSA-N 449.552 2.158 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2snnc2C)c1 813562447 YGAOWABXHGQPCW-INIZCTEOSA-N 446.602 2.355 30 10 IEEE CC(C)OCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916872335 BBFRESKLGFNYGH-AZUAARDMSA-N 431.508 2.247 30 10 IEEE N#Cc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 1083864675 IVJAJNAHFPGUOL-UHFFFAOYSA-N 438.429 2.467 30 10 IEEE CC(=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccc(N)cc1 1083945485 XAJKPSGBKUWPPS-UHFFFAOYSA-N 429.510 2.138 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccccc1O 1084005596 QOEJYKZUPYSIRW-UHFFFAOYSA-N 442.461 2.173 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)OC/C=C\c3ccccc3)n[nH]2)cn1 1084270344 VUUVARQLLDNIDX-LDRDAHAJSA-N 441.517 2.442 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)C[C@H]1CS(=O)(=O)C2 1134649727 LXKMYNLYEAUCGQ-KPZWWZAWSA-N 439.415 2.186 30 10 IEEE N#Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(F)c1 1136476649 DQYFEWHMHLQRBK-UHFFFAOYSA-N 445.472 2.005 30 10 IEEE C=CCNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1137840768 CZXBOOFZGBSGFZ-HNNXBMFYSA-N 426.311 2.433 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)c1 1143342127 XTMGWLGOVYOWTG-UHFFFAOYSA-N 438.549 2.319 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)C2=O)cc1 1143719651 CQIFFBNMNVUKKU-SQJMNOBHSA-N 445.523 2.371 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC#N)CC1 1160752665 JYWNUSRCCBPJIX-HXUWFJFHSA-N 429.565 2.116 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1161529200 QHQSGYYEZOZOJO-INIZCTEOSA-N 439.553 2.171 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 1175515036 PDESMNOJCJWYRC-UHFFFAOYSA-N 441.340 2.214 30 10 IEEE COC(=O)[C@H](CC(C)(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1277162761 IETWNKPMHRRVEY-SFHVURJKSA-N 435.546 2.053 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C(N)=O)CCOCC1 1286283953 VTBLFGRWPGEFTM-AWEZNQCLSA-N 431.924 2.347 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286379973 AKNLCESWDDHJPU-OALUTQOASA-N 427.549 2.434 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286390028 VKOFVXUICRRPBR-BJLQDIEVSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1286397964 FFTQVEKLPSNYRR-UHFFFAOYSA-N 446.555 2.164 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286499411 RBBLNJYQQSWMLE-RXVVDRJESA-N 436.585 2.340 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1286737884 XYNJAPSQZOXELE-OAHLLOKOSA-N 426.487 2.440 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1286753271 ZPJBOPJTEBOTCF-UHFFFAOYSA-N 426.477 2.314 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1286757592 RXLSHTSKIPAEFA-MRXNPFEDSA-N 426.608 2.271 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1286767103 GAEHBIPDSSMDQV-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1286768490 NSEBLYXFQBGLPD-UHFFFAOYSA-N 438.532 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1286781940 FKYDGNOHCBLCNP-MRXNPFEDSA-N 426.565 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 1286815858 BICHGSKSOBHAHU-UHFFFAOYSA-N 449.552 2.038 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](N3CCCC3=O)C2)C1 1293332821 KWGUINSWBGWIMC-KRWDZBQOSA-N 431.334 2.370 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)ccc1F 1298057580 AVABQVIKVUBJGB-UHFFFAOYSA-N 441.525 2.418 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NCc1ccc(C#N)s1 1299564140 NRNANLXHICFUMH-UHFFFAOYSA-N 443.554 2.319 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)C(F)(F)F 1299602216 VUWADDVHWVUKSK-CZUORRHYSA-N 436.438 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)nn1C 1300316954 HQNSWAZTFOQMSM-NRFANRHFSA-N 446.603 2.191 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2Cc2nncn2C)c1 1300334540 PAVUTCFMZVLRQE-UHFFFAOYSA-N 446.540 2.163 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1300373900 CWPNSJXRUGIPTM-JOCHJYFZSA-N 438.532 2.366 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)OC 1300657241 IBTXILLAEFPOHV-UHFFFAOYSA-N 448.593 2.058 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN2CCC)CC1 1300703281 FHFUNVJTLCFZDX-FQEVSTJZSA-N 427.622 2.263 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCS(=O)(=O)CC 1300886488 XYXKWMZTLBOAOE-SQNIBIBYSA-N 426.583 2.372 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301000302 QLLYENXQZKFARF-LJQANCHMSA-N 434.562 2.382 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1301528549 BELDWPSHCNDDNF-FQEVSTJZSA-N 425.533 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccs2)C1 1301557962 RZIPHGPEJNOJLN-IAGOWNOFSA-N 431.562 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)C[C@@H]1CCCO1 1301578399 ZTYXWHGZBZUHOH-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE COCCN(C)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1301740446 KULADCMRDYJLIY-VXKWHMMOSA-N 434.585 2.027 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(F)c(F)c1F 1302100263 XSCJKYCSHWBUCU-UKRRQHHQSA-N 439.438 2.391 30 10 IEEE Cn1cc(C(F)F)c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1302596034 BNZZYMOGOZNGCQ-UHFFFAOYSA-N 439.488 2.273 30 10 IEEE C#CCN(C(=O)Nc1c(OC)ncnc1N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1310431020 ZEVUAYKLTFWVBD-UHFFFAOYSA-N 432.525 2.418 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCC1 1313283091 WOGAGXKRSOALTL-UHFFFAOYSA-N 433.578 2.030 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)Nc2cc(CC#N)ccn2)(C(=O)OC(C)(C)C)C1 1355711613 KMTYYTUPEPAPDQ-QFIPXVFZSA-N 446.504 2.434 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1358918907 KUBUSGRHDADEEJ-MOPGFXCFSA-N 428.581 2.449 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1358933968 KSIBSLJYLMHMNM-OAQYLSRUSA-N 431.500 2.244 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1359167661 OWSQPZGGIZIDLJ-PMERELPUSA-N 427.574 2.484 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1359226462 GGZHBBQOZGKYKG-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)Cc2ccccc2C1 1359280279 KVRZLKWOCLKDAX-UHFFFAOYSA-N 435.576 2.417 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1359476491 FXGSMJBLHSYRMN-OAHLLOKOSA-N 433.557 2.300 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cscc1C(F)(F)F 1360248758 VYTJEYBOBVFPFC-LBPRGKRZSA-N 428.440 2.274 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1360319212 FFCUUQSZDNATOZ-JXFKEZNVSA-N 441.598 2.270 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)C1 1360781240 UOKPRFLCCKXWTC-LIRRHRJNSA-N 431.447 2.480 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1360785566 YCVNJMJASKJAED-MBSDFSHPSA-N 438.532 2.438 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1435080770 NXOLKOICICHBAL-FQEVSTJZSA-N 442.560 2.029 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc([C@]4(C)NC(=O)NC4=O)cc3)n[nH]2)c1C 1441339766 RCAHIAVFNGBHIS-QFIPXVFZSA-N 433.472 2.383 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1455945116 ZLJBEULVDCVBOD-QGZVFWFLSA-N 444.532 2.001 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)CC1 1460902668 BSUCVFKBNSLPPO-YDHSSHFGSA-N 433.597 2.058 30 10 IEEE CN1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2CC#N)CC1 1462851810 IFVXKEFZXPNVMA-OAQYLSRUSA-N 438.553 2.037 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cnn(CCC#N)c3C)C2)cc1 1464700978 KKPIZBOVLIODEN-GOSISDBHSA-N 429.546 2.244 30 10 IEEE CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1474801513 HPHYAWDTSOUBHJ-AWEZNQCLSA-N 432.365 2.253 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1494571373 QQBDCCXZRNIWJA-APWZRJJASA-N 446.502 2.398 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccccn2)nnc1N1CCC(C#N)CC1 1503358012 CTJBVCNURQQGAM-HXUWFJFHSA-N 436.564 2.023 30 10 IEEE CSCCCN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1505257211 MONGOQDTMQTKCC-ZPHPHTNESA-N 427.534 2.056 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(-c2ccccc2)n1 1507601931 WGZPCDFZZRUVTM-HNNXBMFYSA-N 444.586 2.324 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1507648256 XUHHDVTZWDGDKC-FOIQADDNSA-N 429.318 2.320 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507688930 CXWYDOVRISGXLW-OTWHNJEPSA-N 435.594 2.183 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)N(C)C)CC1 1507734607 QGSXTQMCDVDZON-UHFFFAOYSA-N 448.527 2.135 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)CC1 1507807553 RLCOKYZLUHNKNK-SZMVWBNQSA-N 425.599 2.496 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507969677 FUMHXKWCSZXPFX-DEOSSOPVSA-N 441.576 2.433 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21)C1CC1 1507988435 SFCNPVHJGFEJOV-HZPDHXFCSA-N 433.582 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1508079101 OBVDXWWPSVEWSE-HOTGVXAUSA-N 429.521 2.268 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CCC1 1509004889 TWTXFFDJIWKCAX-SSEXGKCCSA-N 427.578 2.296 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1512579386 HAKFGHMSSUSPIC-UZUQRXQVSA-N 441.532 2.131 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1515059641 BBESHHDEJMQBJO-OAQYLSRUSA-N 430.484 2.321 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1516979199 GOMSZJJNFKUCDN-OALUTQOASA-N 439.520 2.390 30 10 IEEE COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(C#N)o2)cc1OC 1518101863 SOLBQMNBASJYCV-UHFFFAOYSA-N 438.488 2.436 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)cc1 1519505967 DZCPNVHQDPRKJY-SFHVURJKSA-N 429.546 2.364 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1533942307 LFLNEKOAEIITQZ-CQSZACIVSA-N 438.513 2.440 30 10 IEEE CCN(CC)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1537005604 JQPUCYZVQBSEAN-JENIJYKNSA-N 443.491 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1539031301 YRHLBBITMBDMQX-MRXNPFEDSA-N 427.530 2.011 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1539117168 UYFGUJUHJMIOEO-UHFFFAOYSA-N 433.516 2.312 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C)cc(C)c1 1539417210 ZBLXYLMDTCSPSD-HXUWFJFHSA-N 430.574 2.126 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCOCC1 1539417457 INMUUMSIUGBUSN-UHFFFAOYSA-N 429.540 2.205 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCN2CC)CC1 1539480478 AALFEJLUVGNCPQ-LEWJYISDSA-N 442.608 2.012 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539662548 VTWHBEPCGUVXHR-UHFFFAOYSA-N 448.575 2.430 30 10 IEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC 1539749614 BCVNRBKVFHLKMX-KRWDZBQOSA-N 439.557 2.262 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1539819425 DQPSABLBYIKBOY-HXUWFJFHSA-N 425.961 2.377 30 10 IEEE C=CCC(C)(C)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1539928748 HAWRHAIMAVVCNJ-UZLBHIALSA-N 426.583 2.156 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540855453 UYJSIASSVSDVDY-OAHLLOKOSA-N 445.321 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1540895655 WQJOXZPFJMMKSH-XXBNENTESA-N 425.533 2.425 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540916633 DFNABVFEEJSSDU-INIZCTEOSA-N 441.557 2.434 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1544153531 WHDRHMKMMMJXED-NQIIRXRSSA-N 440.569 2.376 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1 1548334020 DFXJIMQVAVYKNR-UHFFFAOYSA-N 441.561 2.276 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H](O)C1 1554149934 DHQRJWBJDFHKDW-AQNXPRMDSA-N 443.573 2.239 30 10 IEEE CO[C@@H](Cc1ccccc1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1554611121 BNCUDMSKNLNEFX-PMACEKPBSA-N 443.573 2.178 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1555992304 NAQWEQXOQXCYJD-HXUWFJFHSA-N 447.518 2.487 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(-c4cnc[nH]4)cc3)C2=O)cc1 1557201827 DFZAJXPPPRDALM-IBGZPJMESA-N 428.452 2.470 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 1557384495 PSUBMPDINPVFJL-OAQYLSRUSA-N 439.493 2.435 30 10 IEEE C#C[C@@H](NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)c1ccc(Br)cc1 1561601323 KVUYWGJFTWLROW-GDBMZVCRSA-N 429.336 2.233 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1565142189 AOQIEHISFCDVPU-RUZDIDTESA-N 448.615 2.448 30 10 IEEE CNC(=O)N(C)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1583569970 QHKGDYLJGQJICM-SFHVURJKSA-N 434.456 2.178 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOCC(F)F 1587615277 TWTORRKZBSFNNL-CQSZACIVSA-N 440.520 2.368 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588049846 MDNCHZLREZGHCB-SJLPKXTDSA-N 444.557 2.258 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCc1ccccc1 1588138302 CEKVCADSXRFNTE-IBGZPJMESA-N 428.583 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1OC 1588253615 BFTRSOXOKGQGHO-SIKLNZKXSA-N 438.528 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](COC)OC)CC1 1588780870 XSRFVOYODWEEDW-KRWDZBQOSA-N 433.940 2.024 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(OC)cc2C1 1588968330 IKCWWCDXMNPOSW-UHFFFAOYSA-N 425.558 2.452 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589037093 UXIGBRNPNCFGAB-GOSISDBHSA-N 438.557 2.078 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1589142856 QCBLVURADCAVHM-HSZRJFAPSA-N 435.532 2.224 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(=O)N(C)C)CC1 1594218765 RUSZSAVVFLOYBX-UHFFFAOYSA-N 435.536 2.192 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCC1 1595291108 MUERISGPLGEKHB-UHFFFAOYSA-N 438.532 2.136 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CC=CCC1 1595496809 IBPDIDSXAZHVBC-QGZVFWFLSA-N 443.573 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1595772794 HCMRBNRNMYLHCP-SFHVURJKSA-N 429.546 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1595831049 JPJUJDNOKDRSJX-GHTZIAJQSA-N 440.610 2.403 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1596702475 AIYNLVCBXOMWTR-HXUWFJFHSA-N 432.532 2.460 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1596814096 SCLNAGMGVBJUMG-HNNXBMFYSA-N 427.509 2.004 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1598441209 RHEWNOOOROOLAG-WZONZLPQSA-N 445.491 2.434 30 10 IEEE CC(C)NC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1610090888 AYEIKHWDHSDYOK-GOSISDBHSA-N 438.532 2.226 30 10 IEEE COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCO[C@@](C)(C#N)C3)c2)cc1 1611485957 VEXUAGHVVOFPOO-NRFANRHFSA-N 429.498 2.275 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1613341858 CNVHBXGIWKRIQL-LPHOPBHVSA-N 426.521 2.036 30 10 IEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)OC 1613623459 AXGLJJKOPLQDNE-LJQANCHMSA-N 446.577 2.102 30 10 IEEE CCc1nc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)no1 1613869355 CNPXDJBKBWKYJG-AWEZNQCLSA-N 443.533 2.133 30 10 IEEE COC[C@H](Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1619608819 OEECKMURFLSDRU-KSZLIROESA-N 448.568 2.450 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)CC1 1620169643 ARVBATUHJJCYOG-UHFFFAOYSA-N 442.467 2.241 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)C[C@@H](C)O1 1620318605 OTDBWFZLYFQBEZ-CALCHBBNSA-N 431.562 2.458 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCOC2)CCO1 1620354740 KNWVSQXBTMBEIJ-RDJZCZTQSA-N 432.912 2.165 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCNC3=O)cc2)cc1 1622886951 ZBSRIWYWXDRANX-UHFFFAOYSA-N 443.529 2.344 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(I)cc2OC)CC1 1625120530 KBVCKTKLACRRRK-UHFFFAOYSA-N 441.269 2.293 30 10 IEEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1625144505 RMNMSMROVNVZIM-GIIQAUJJSA-N 440.544 2.247 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1626915895 SJSAYBZPYNKOFX-UHFFFAOYSA-N 441.575 2.392 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](Cc3ccccc3O)C(=O)OC)ccc2c1=O 1629957958 VMZJTRYZIPTVDS-KRWDZBQOSA-N 439.493 2.091 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 1630695691 WWSODYFTSLAALY-KRWDZBQOSA-N 443.573 2.474 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)s1 1631702133 UQLRQMHMPCBNHL-HOTGVXAUSA-N 441.619 2.298 30 10 IEEE C=C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1632294844 FJIDSKYLOJSMPZ-QFIPXVFZSA-N 443.569 2.233 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OCC 1633296543 FTJRUEGSRMZVGP-FQEVSTJZSA-N 447.557 2.428 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C)(c2nnc(C3CCOCC3)o2)C1 1633368381 CHFVRSRHYOJCQP-MRXNPFEDSA-N 432.521 2.370 30 10 IEEE N#Cc1cn(CCNC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c(=O)nc1O 1633549881 CPKHKIQTLOIHDH-RTWAWAEBSA-N 430.464 2.319 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)COCC(=O)OC(C)(C)C)c(C#N)c2N)cc1 1634946373 COJJFPVNPVOEAA-UHFFFAOYSA-N 427.505 2.042 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1637585595 DGKLKJIKJQDRIA-OAHLLOKOSA-N 433.875 2.036 30 10 IEEE N#Cc1cccc(OCc2cccc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@@H]43)c2)c1 1638771194 AMUOJBFGERDICP-LEWJYISDSA-N 426.494 2.165 30 10 IEEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(COc2ccccc2C#N)c1 1640721992 SFEGYTSLLSZNAF-VWLOTQADSA-N 435.524 2.483 30 10 IEEE C#CCN(CC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(=O)OC(C)(C)C 1641400375 IHICFSPTZAHDFN-UZLBHIALSA-N 445.564 2.095 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3C[C@H](C)O[C@@H]3C)nnc12 1641647943 LMWVVQUQFWXSRR-ZNMIVQPWSA-N 427.530 2.252 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)n[nH]2)c1 1641929645 FSTCPNGGSBCQMQ-AWEZNQCLSA-N 428.499 2.197 30 10 IEEE COc1cc(C(=O)N2CCC[C@@H](n3nncc3I)C2)ccc1C#N 1643458844 PCTWOIBRLJMHCL-CYBMUJFWSA-N 437.241 2.240 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 1643682729 YWZGCIVRLFRCLM-XZOQPEGZSA-N 425.554 2.307 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)s1 1643854458 NCBWUUZHYJCJDD-OAHLLOKOSA-N 430.592 2.485 30 10 IEEE CCCn1c(=O)nc(O)c2c(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc(C3CC3)nc21 1644583028 HGUCQKZAJVOOFE-LJQANCHMSA-N 447.495 2.462 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1644666087 TWLIJAAGYJVODR-MSOLQXFVSA-N 441.576 2.156 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)cc1 1645636989 BAGAYMRICXTEFJ-SFHVURJKSA-N 449.573 2.460 30 10 IEEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3C[C@H]4C(=O)NC(=O)[C@H]4C3)c2C#N)C1 1654514712 UIGABRZVQGKNRU-VBNZEHGJSA-N 428.558 2.304 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1662651647 NTKBZMZJMHXIOJ-DLBZAZTESA-N 448.463 2.240 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1676569795 YELYQJVMJAQEEM-GOSISDBHSA-N 426.517 2.052 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CCN(C)CC1 1677504932 RECXMYFVTNPRMU-KDURUIRLSA-N 426.561 2.175 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1681434476 OLVBBAZRJVTNGH-SJORKVTESA-N 444.488 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)Nc1ccc(F)cc1 1690056548 XHDLVFNLZLBKRN-UWJYYQICSA-N 439.491 2.243 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1690230523 HJSZWESCMLLJDL-UHFFFAOYSA-N 443.353 2.233 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1690246755 WUWUQDLSDUIQTK-WKRCXCSHSA-N 433.578 2.291 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)CC1 1690399071 MXYYFYVWXYQAPV-HSZRJFAPSA-N 433.597 2.443 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1690670784 IVXSHZGODXTKOV-DLBZAZTESA-N 431.562 2.331 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1690671948 DGASHWKOYXANCF-INIZCTEOSA-N 434.338 2.483 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677148 PGRREJDEOZSPHF-JPYJTQIMSA-N 449.596 2.405 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(F)c2)C1 1690710645 VICIXVITZDEARW-QGZVFWFLSA-N 429.496 2.378 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1697962417 QWLYBQAKNIQHTI-JPYJTQIMSA-N 438.532 2.070 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1cccc(Br)n1 1698061724 SLMXWYDKEUGLTL-CQSZACIVSA-N 435.326 2.354 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCSCCCO)c1 1698485531 GWFNNDVUVGDJEV-WOJBJXKFSA-N 443.573 2.317 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1705486106 WTDMIJWCVVNRLL-CYBMUJFWSA-N 439.438 2.489 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705512388 AUNWDAKCEMKHMU-KRWDZBQOSA-N 430.530 2.491 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1705569179 DIFISVXEJNWCRU-SJLPKXTDSA-N 449.527 2.326 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1705574633 JAGOGBANFFDWJN-FQEVSTJZSA-N 448.449 2.055 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(=O)N(C)C)CCCC1 1705584372 IECCZUGZXDXOFK-UHFFFAOYSA-N 443.555 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1705593428 AXGCJRXGEDBKEB-UHFFFAOYSA-N 436.512 2.111 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705707599 NZRZVXDUKFEGJA-LEDOBFOHSA-N 447.580 2.016 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1705799868 IFZJGTIAHSVTKK-QGZVFWFLSA-N 448.593 2.277 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1706072624 GEASKRWULKFCTD-IRXDYDNUSA-N 444.609 2.318 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1706229235 BOHKYVARQCVPCZ-LJQANCHMSA-N 447.547 2.449 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706342986 WHLKNXVJOTVYGJ-BFQBXFRASA-N 435.532 2.273 30 10 IEEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1709142884 PUQVGBUMODFDST-LBPRGKRZSA-N 442.877 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CC1 1722281584 VEROCKMNBMDIPU-NSHDSACASA-N 426.340 2.071 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722361844 QIKCNUHPNKUTBM-CMKODMSKSA-N 445.589 2.495 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCS1(=O)=O 1722401248 QISAYQZRBWIRLA-NRFANRHFSA-N 440.569 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722418830 FBPMVNIUDSCRDC-INIZCTEOSA-N 442.589 2.230 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)c2ccccc2)CC1 1722436704 DFMNMYHMNRHBIG-CTNGQTDRSA-N 441.601 2.129 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1722436772 FKGNSFRDXFPYEE-JTSKRJEESA-N 429.952 2.098 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722455196 PXRGEBSEQDBJAS-KRWDZBQOSA-N 444.561 2.377 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1722492253 DYCDRODOLMCFEM-PMACEKPBSA-N 435.532 2.259 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722494207 BQHDQDJOKQAOIF-YSIASYRMSA-N 445.589 2.396 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1722867760 HVRDFOMIQJJQJA-LPHOPBHVSA-N 427.505 2.318 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1F 1730131779 GPKGBCAHIZEFCA-GDBMZVCRSA-N 435.525 2.166 30 10 IEEE COCCN1C[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@@H](C)CC#N)CC1=O 1730778535 QGIZUHNSGADICU-JKSUJKDBSA-N 446.502 2.380 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1731181198 HBIUVMJAMRZSDQ-SFHVURJKSA-N 443.573 2.383 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740594680 VFYBWZPROYDQEI-UHFFFAOYSA-N 437.504 2.049 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628636 ZFCOBBPWMBFVTQ-WOJBJXKFSA-N 449.621 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(C)CN(C)C1=O 1740652607 HAUSPDVDEFWQIF-DEOSSOPVSA-N 427.512 2.072 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1740792880 MLRFEFYCEDGUJC-GOSISDBHSA-N 443.527 2.073 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740871578 HVHMIQRRQDSION-IAGOWNOFSA-N 428.489 2.043 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740888665 REISHZKUGCTFLH-HSZRJFAPSA-N 425.533 2.475 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1740961390 VBMMDNIBXZJMEO-UHFFFAOYSA-N 436.604 2.458 30 10 IEEE C=CCNC(=O)Cn1c(N2CCOC3(CCCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740965746 SEKCTOAOTQKDKZ-HSZRJFAPSA-N 447.580 2.162 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)CC1 1740998437 MHMZZJHRHLZBDG-UHFFFAOYSA-N 445.589 2.404 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1741131115 DFKAXPOOJMLYLC-MAUKXSAKSA-N 445.545 2.211 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCOCC1 1741970242 DHNWHJMCRGBFFY-QAPCUYQASA-N 447.923 2.342 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1 1748730369 KUYFNDVQSVYKQO-ICSRJNTNSA-N 441.532 2.361 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748731181 WNANLYCTELIDNR-URXFXBBRSA-N 445.608 2.281 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1748756315 YSMMXTSDWMUPQM-UHFFFAOYSA-N 435.557 2.164 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1748771211 IZJRFHGKWWLQEQ-PMACEKPBSA-N 438.450 2.450 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1748979861 QDDVQKOMUJDXIZ-UHFFFAOYSA-N 431.466 2.066 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cc(C)nn2C)CC1 1749000242 PZTKTOHBQRSXHQ-UHFFFAOYSA-N 449.559 2.101 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749048086 IHAKDULRHAIMDJ-SIKLNZKXSA-N 449.621 2.038 30 10 IEEE CO[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1749217332 UEWMPVRABZVYAF-KJODZNIWSA-N 442.564 2.398 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1749354339 NXWDMIFOLUGBKI-VYDXJSESSA-N 425.599 2.494 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749456533 HRRQZJSRVIJHHO-JOCHJYFZSA-N 430.553 2.343 30 10 IEEE C=CCCOCCn1c(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)nnc1C(C)(C)C 1749461038 NBJKRJKQQODIBP-KRWDZBQOSA-N 439.568 2.321 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCNC(=O)C1CCC1 1750138244 UUGCUQSFONXUMN-OALUTQOASA-N 430.553 2.048 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1760173011 GSAZHQVAPOPYDG-KRWDZBQOSA-N 440.617 2.365 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1760182145 HCYQEILBQMAMTM-SFHVURJKSA-N 431.562 2.259 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760192252 HBFFRECTSQVMOK-HXUWFJFHSA-N 430.574 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC=C 1760217015 LVVFXRPUPZNLDQ-UHFFFAOYSA-N 448.552 2.195 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)CC 1760241406 YTPRHXTUZYUHGW-UHFFFAOYSA-N 442.520 2.058 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760260041 VAYKPPSCLDYRIM-MRXNPFEDSA-N 429.594 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccccc2)CC1 1760269202 BJFHSXHMGYMOTA-QUCCMNQESA-N 437.544 2.215 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1760272185 BIQMZGPHXADXPO-JOCHJYFZSA-N 427.574 2.189 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760291473 QEUBIYDJDHMWNI-NTKDMRAZSA-N 432.528 2.304 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1760449224 DPPFNXFJGAFBNB-NRFANRHFSA-N 438.576 2.453 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1760509781 HWGYHFRUTJOQSK-QGZVFWFLSA-N 427.484 2.345 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(CC)C2)C1 1760549737 LQFYCCSWYMIHKF-MSOLQXFVSA-N 444.605 2.393 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1763272836 BUAYAIUUMAXDLM-QMHKHESXSA-N 442.539 2.453 30 10 IEEE CN(C)CCOCCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1768520993 GTAUCZHSUQVBST-UHFFFAOYSA-N 441.555 2.146 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769129015 UEOHRLIDVWJOJO-PMACEKPBSA-N 439.564 2.121 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1769325101 GQQCDRBTLRGAPL-UHFFFAOYSA-N 432.532 2.374 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCSC(C)C 1770216048 YMTZPQLYOVMRHL-WDSOQIARSA-N 434.610 2.320 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1770911585 FMLLVIJRXAZWIG-HLAWJBBLSA-N 441.532 2.131 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)C1 1771263271 PUSIJKDMNATKQL-LJQANCHMSA-N 435.532 2.396 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1771267826 XZZJWSCAOQGPFB-UXHICEINSA-N 438.532 2.117 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCCO1 1772887249 DDFKGEUORXUWNV-LJQANCHMSA-N 446.577 2.151 30 10 IEEE C=C1CCC(C(=O)O[C@H]2CON(C(=O)CN3CCN(c4cccc(Cl)n4)CC3)C2)CC1 1851290377 TZXCTYHRXFDGRO-GOSISDBHSA-N 448.951 2.289 30 10 IEEE Cn1cc(C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)c(C(F)F)n1 1851910016 UJXTYANBIZPSOW-UHFFFAOYSA-N 430.868 2.318 30 10 IEEE CN1CCN(c2ccc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)cc2)C1=O 1852055875 FHIQJKPUCQHLAX-UHFFFAOYSA-N 432.424 2.433 30 10 IEEE Cc1ccc(=O)n(CCNC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)n1 1852119477 JNHFXMWOCLEMSE-JOCHJYFZSA-N 441.491 2.327 30 10 IEEE CCCc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854394711 DLANTDLFRRXIFL-UHFFFAOYSA-N 431.558 2.409 30 10 IEEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2(C)C)c1 1854781955 OLOBTGSUINFGMS-UHFFFAOYSA-N 425.510 2.460 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc4ccccc4c3)C(=O)O2)CC1 1856739967 ZUMLPYKPAVDQDG-LJQANCHMSA-N 427.482 2.366 30 10 IEEE CC(=O)CCCN1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1856830014 QUUMSQMRBYAQOP-GOSISDBHSA-N 430.936 2.134 30 10 IEEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3c(F)c(F)c(OC)c(F)c3F)C(=O)C2)C1 1856833017 XGHOIQCDXRNFQG-GFCCVEGCSA-N 429.414 2.186 30 10 IEEE Cc1ccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1F 1857026674 OMMUNGLWQPSLGW-GOSISDBHSA-N 435.521 2.007 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cc(C)ccc2C)cc1 1858963755 VIFPQAXFSTXWEM-UHFFFAOYSA-N 430.482 2.047 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1864333264 WBKFFDISTZMSED-KRWDZBQOSA-N 442.516 2.395 30 10 IEEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868775089 YYMJQKYMEACDPZ-GOSISDBHSA-N 432.590 2.150 30 10 IEEE CCCN(CCC)c1nc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870039650 YJPUYBWRBFTUTO-QGZVFWFLSA-N 430.534 2.388 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C)cc1 1874433794 YNFDSACZKJFLED-ZVBGSRNCSA-N 429.531 2.292 30 10 IEEE CC[C@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 1891026861 VQZXBUXSRGVIAL-QHCPKHFHSA-N 442.560 2.347 30 10 IEEE C#CC1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1 1891843503 XXITYISRHOZIEA-LJQANCHMSA-N 433.530 2.280 30 10 IEEE C=C(I)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1895212086 MVLNKGQBFLJGFY-JLTPVHFHSA-N 431.292 2.440 30 10 IEEE CC#CCC(=O)Nc1c(I)nc(C)nc1I 1995461133 HUYYEOAKXNTJHI-UHFFFAOYSA-N 441.010 2.346 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2010152141 UYDSNJARQSJPLS-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2018698884 UTHIRGJMIYAKPM-LBPRGKRZSA-N 427.361 2.229 30 10 IEEE CC1(C)CSC(=NCc2ccccc2)N1C(=O)Cn1nnn(-c2cccs2)c1=O 2040489380 BLHINDYXYUDJMA-UHFFFAOYSA-N 428.543 2.401 30 10 IEEE COCCn1c(NN=CC(Br)=Cc2ccccc2)nc2c1c(O)nc(=O)n2C 2053467001 NHRFJJDNYDGSLH-UHFFFAOYSA-N 447.293 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2060635267 KBDNWLVKDPMYCF-OAQYLSRUSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2063393078 LSLCJDMXZNVRCU-QFIPXVFZSA-N 432.326 2.296 30 10 IEEE C=CCn1ncc(N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2106008173 CTUNONLDDHUNPW-WCQYABFASA-N 429.315 2.286 30 10 IEEE C[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CCN(C(=O)OC(C)(C)C)CC1 2124534450 IDVXIXLHORFGMS-BDXSIMOUSA-N 449.401 2.478 30 10 IEEE COc1nc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2132368450 LJVFBXUKEPQULS-ICSRJNTNSA-N 436.365 2.495 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255540542 OJFJCQJGSVKIIJ-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644334 IBGBJHODPFMWCX-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2255665377 FNHHMKSCBRMRQR-YEJXKQKISA-N 449.382 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2255826041 JMPVPSCHFSAKDP-AWEZNQCLSA-N 434.346 2.227 30 10 IEEE CC1(C)OB(c2ccc(CS(=O)(=O)N(Cc3ccccc3)C3CNC3)cc2)OC1(C)C 2255934058 XDEMOLVAAOOLIH-UHFFFAOYSA-N 442.390 2.290 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 2267092231 MSHVGZIQLZTAKF-JKSUJKDBSA-N 446.357 2.227 30 10 IEEE Cc1nn(C)c(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267133559 DDZWAWYPGHHMHS-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 2267152332 PEAPJOKRFYTXHD-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1 2267179023 KGGHMKUZTABVHN-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CCn1cc(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267183239 FGVGKQYLKCTAQF-GJZGRUSLSA-N 448.373 2.378 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267522061 VUMKMPXRSDIRCY-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2268640155 FTGMSUKUJPAZQL-UHFFFAOYSA-N 440.349 2.399 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)OC1(C)C 2282183700 JNYSISAPZLTSQZ-PMACEKPBSA-N 448.376 2.370 30 10 IEEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2296295941 IOEZHOPCRJDIQQ-UWVAXJGDSA-N 439.350 2.433 30 10 IEEE O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H](c2cccnc2)C1=C(O)c1ccc(Cl)cc1 2296549789 ZJQUMZQFHQLJBN-WBVHZDCISA-N 432.885 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304825349 NYTDWEIOJUZAPJ-FQEVSTJZSA-N 425.310 2.208 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1[N+](=O)[O-] 2328471500 UUFFCOKJCNIPTA-UHFFFAOYSA-N 441.429 2.145 30 10 IEEE COc1ccc(C(C)=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1 2328608027 SPXIIBSYAUYCAD-UHFFFAOYSA-N 432.484 2.327 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)C[C@@]2(C)CO)n1 2337021167 ZYIVSOBMLVUAAN-QHCPKHFHSA-N 447.385 2.497 30 10 IEEE CN(C)CC1(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2343966632 NACPMSMSGYPGMD-UHFFFAOYSA-N 447.385 2.498 30 10 IEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2ccccc2F)c1=O 21655770 SCGYPJXBQFIBTO-UHFFFAOYSA-N 431.493 2.430 30 10 IEEE CCOC(=O)c1ccc2nc(NC(=O)[C@H](C)n3c(N)nnc3SCC#N)sc2c1 32535671 MGEQVTKFLYZLAF-VIFPVBQESA-N 431.503 2.462 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)cc3C)n[nH]2)cn1 59886634 KNLDDVPQQPEVKI-AWQFTUOYSA-N 428.522 2.441 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccn(C3CCCC3)n2)CC1 431653030 YLQOUTSFOWPFJK-UHFFFAOYSA-N 442.545 2.086 30 10 IEEE C=CCOC[C@H](NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)C(=O)OC 435950643 RXSBKTFXMOGOTD-HNNXBMFYSA-N 449.305 2.381 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 438609030 HLHXUMXARHKCLM-UHFFFAOYSA-N 433.468 2.125 30 10 IEEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)n[nH]1 440764671 ULMCDMPNTPOUPW-UHFFFAOYSA-N 445.483 2.060 30 10 IEEE CC(C)C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 461292841 JUWYZLVAYCFFAG-CEXWTWQISA-N 432.484 2.443 30 10 IEEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 463190503 DMMLLXITTNXOPO-AVRDEDQJSA-N 440.569 2.449 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 479909738 DIBKRJDDOVOTEY-UGKGYDQZSA-N 434.544 2.329 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CC(=O)N2C(C)(C)C)cn1 480073266 WFLLHTBQIVYDMW-MQSCRBSSSA-N 448.571 2.345 30 10 IEEE Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 503041157 YHULMWZLSVGWHV-HSZRJFAPSA-N 429.517 2.306 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Cl 503862788 QYUDWIWQZDIZFV-SFHVURJKSA-N 447.900 2.472 30 10 IEEE C=CCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(F)(F)Oc1ccccc1 508833271 OWESFGJFJQPFJO-UHFFFAOYSA-N 429.431 2.179 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 524489603 HRGZCTUZYXWZAE-FQEVSTJZSA-N 425.510 2.095 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(C(=O)N4CCSCC4)c3)CC2)n1 546929331 PDVLUQNWJKUROJ-UHFFFAOYSA-N 436.541 2.496 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)CC1 549160243 ALFAFABJAAQHLL-IBGZPJMESA-N 431.562 2.062 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 551508945 MYHAPYUNNKDWOU-OAHLLOKOSA-N 448.495 2.242 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 589133884 WYRWNCROUBANPR-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 679752731 DPQBCDOLMLUSSP-UHFFFAOYSA-N 426.501 2.428 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2ccccc2c1 727417701 JEUCOESPUNLUGB-UHFFFAOYSA-N 427.485 2.427 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2CCC2)c1 730137716 HQCOBEDXDRJEEC-IBGZPJMESA-N 445.589 2.445 30 10 IEEE C#CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 733356546 RJXHMEHSHNCTCM-UHFFFAOYSA-N 434.743 2.142 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=C3CCC[C@@H]3S(C)(=O)=O)nc2)C1 741455166 JKGDVQLVPXOUSB-CPUCHLNUSA-N 428.580 2.113 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)c1n[nH]c2ccc(I)cc12 745475921 RSALWNAGMFEKIN-UHFFFAOYSA-N 426.214 2.086 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 748064281 OJODPQJTRYBRNQ-UHFFFAOYSA-N 444.626 2.487 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)cc(OC)c1OC 750575494 UXBPWYCFKMGJJP-CGQZWFTASA-N 445.497 2.478 30 10 IEEE C[C@H](C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 752612094 AJQSWGHSZSXWOM-MGPUTAFESA-N 441.509 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 758036597 ZRIQBLOEGJVQSZ-INIZCTEOSA-N 435.475 2.494 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(F)cc3F)c2=O)cn1 772282678 JNGBWBBYDCXQTO-UHFFFAOYSA-N 438.459 2.346 30 10 IEEE CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780206634 SFMGRFKZTSFYEW-IBGZPJMESA-N 449.385 2.251 30 10 IEEE CC(=O)N(C)c1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 790839068 LXUWCNHGTALHBU-UHFFFAOYSA-N 436.287 2.422 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 797703783 XQQQUHCDVNHXQW-HXUWFJFHSA-N 430.549 2.007 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCCCC2(C#N)CCOCC2)C1 800122475 IMRKCZZEDHICRM-QGZVFWFLSA-N 439.534 2.336 30 10 IEEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 802619425 BTZHEJWWPZXVJL-PMACEKPBSA-N 427.505 2.242 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 809886664 LTGJEXAQCSJAKD-ULQDDVLXSA-N 446.552 2.020 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)c1 813984650 VZATZBGVTZEIRC-ZDUSSCGKSA-N 439.419 2.089 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)CC1 814678278 QQBFRLGYYLGDBJ-HBMCJLEFSA-N 447.624 2.258 30 10 IEEE CC(CC(C)C)=NNc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1 1084320936 YWVMGBBKBBOWJV-UHFFFAOYSA-N 449.585 2.157 30 10 IEEE CCOC(=O)c1c(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)c(C#N)cn1CCOC 1125002684 SRMOAHPJFYGAMX-KRWDZBQOSA-N 433.505 2.487 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3csc(I)n3)CC2)nc1 1125790983 VAISTDRXYSZURG-UHFFFAOYSA-N 439.282 2.413 30 10 IEEE COC(=O)[C@H](CC(F)(F)F)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1138083253 LXZMQQAAWINAOI-MWDZPIOTSA-N 433.427 2.383 30 10 IEEE CC(C)C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1142686715 HJGWTODQTAVRHI-NVXWUHKLSA-N 437.562 2.345 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)c1 1147012366 OIIQACYGNAOCEC-UHFFFAOYSA-N 432.567 2.458 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1158566874 GSGAMNZIWYKMPZ-IAGOWNOFSA-N 440.301 2.364 30 10 IEEE C#CC1(O)CN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 1179982657 PSGNUUUJHMOVPP-UHFFFAOYSA-N 429.270 2.287 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1 1196002587 HIAXDVIQUDTOGU-QGZVFWFLSA-N 435.546 2.280 30 10 IEEE COc1cccc([C@H](O)C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1 1196657891 OKSMDBQRFCLGAE-LADGPHEKSA-N 428.577 2.133 30 10 IEEE C#CCN(C(=O)NCCCNC(=O)c1cccc(Br)c1)C1CCN(C)CC1 1226013294 PXCOZCQPHHNCED-UHFFFAOYSA-N 435.366 2.308 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3cnc(Br)cn3)C2=O)cc1 1226111425 ISQNHTZLTKRSFB-OAHLLOKOSA-N 429.278 2.106 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCCc1ccccc1 1286273387 DTZIUJKIMMSOGB-YADARESESA-N 439.560 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1286427886 OJAXODVCCCVRJW-ROUUACIJSA-N 449.527 2.034 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1286459401 OUYQFWAWQJBVKO-FQEVSTJZSA-N 434.544 2.438 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286605913 ABUPLTBLIDQLBY-ZDUSSCGKSA-N 439.442 2.057 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1286635034 IDESJTJFMJPLDI-OXQOHEQNSA-N 425.961 2.424 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C)C(=O)C1)C(C)C 1286752285 YISANTXYBIDNLT-PMACEKPBSA-N 430.597 2.497 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)C1 1286801497 CNFLBDSUQAGBAQ-GOSISDBHSA-N 426.477 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286817799 YHPDXOSMKDKXQA-UHFFFAOYSA-N 444.479 2.440 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286830727 PNGULNXWBDCUGO-DLBZAZTESA-N 430.582 2.198 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286950139 DQRNNALXZUBDSL-UHFFFAOYSA-N 444.543 2.367 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)n1 1290343503 PXDORTUMXARDOU-INIZCTEOSA-N 429.322 2.328 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cs1 1290418232 SJUSSBDFHLFISP-QAPCUYQASA-N 438.554 2.043 30 10 IEEE CCn1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)c1=O 1295954822 FXVODOLMDKUFIG-IPMKNSEASA-N 440.548 2.155 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1ccn(C)n1 1300271602 IICXNYFQBKTTCX-HNNXBMFYSA-N 425.924 2.296 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc2c(c1)OCCO2 1300327693 DWFCIASVQBDWMS-MDKPJZGXSA-N 426.517 2.474 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1300337113 TVBGKKUKAPWWLR-FQEVSTJZSA-N 439.564 2.036 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1300381439 RHOXSGROJKZDNO-QGZVFWFLSA-N 438.557 2.467 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1300403628 OIAUEAMNBFIHRZ-IBGZPJMESA-N 426.565 2.118 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2OCCC2(C)C)CC1 1300710052 QKOLAPCNJFXACO-OAQYLSRUSA-N 439.560 2.436 30 10 IEEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1 1300721401 PWIVIAXDOKZBLW-ZLPCBKJTSA-N 438.598 2.224 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300845130 UUDBDPKXCYCVDB-DLBZAZTESA-N 440.386 2.239 30 10 IEEE C=C(Br)Cn1c(N2CCOCC3(CC3)C2)nnc1[C@]1(OCC)CCOC1 1300863945 WOKBGFJSPWMIKA-SFHVURJKSA-N 427.343 2.456 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301136708 APFAZHZBAHROOB-KRWDZBQOSA-N 431.585 2.355 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](OCC)C1 1301492387 IDEGRLHERXIATP-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1 1301518638 MKGQUIHWPCGDLH-JPYJTQIMSA-N 438.576 2.188 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2COCCO2)C1 1301567724 YQVQISVZRNLFFA-RTWAWAEBSA-N 428.533 2.269 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1302442799 YYFVUZWIMHIWFY-OAQYLSRUSA-N 428.468 2.278 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1303902746 YATWUJJOXZYYRW-LIRRHRJNSA-N 429.435 2.076 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)c(O)c2)c1 1304192968 KVQVUPKWGKEEAN-QFIPXVFZSA-N 425.441 2.416 30 10 IEEE CCOc1cccc(N2CCC(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1305408063 HNSMGYKIOJSNND-UHFFFAOYSA-N 446.504 2.315 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br)C(=O)OC 1309573009 JGEWUCWAOCBQSJ-JTQLQIEISA-N 430.198 2.191 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1315964035 MRGGZQUUQYBYCB-SRDOODBNSA-N 425.533 2.201 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1316269158 ZISHJTRMZWOIFD-FPOVZHCZSA-N 441.532 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1358885021 BENRRDUFPYSXSP-CQSZACIVSA-N 447.465 2.144 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1358918388 SIXXWFRARRHWKV-URVUXULASA-N 445.608 2.495 30 10 IEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358924490 YBNKXXBGBLWRKK-GOSISDBHSA-N 438.532 2.368 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358964884 JMDQNMDXVKLUEP-HKUYNNGSSA-N 446.548 2.061 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@@H]1C 1359077498 DEEVGZZGTMEKBJ-SDDRHHMPSA-N 438.417 2.127 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1359139286 QATXXVDPBJKWDO-HXUWFJFHSA-N 425.533 2.181 30 10 IEEE COc1cc(OCC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)ccc1[N+](=O)[O-] 1461786563 OFQFZSSZCKHYRO-UHFFFAOYSA-N 430.442 2.459 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1466922150 USPNFRVCGLIFNA-UHFFFAOYSA-N 449.364 2.170 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1473663916 VYUVQXGXANQHAX-OYRHEFFESA-N 433.574 2.454 30 10 IEEE CC1CCC(N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1493471688 YPULOVSCYLYTHK-XUTLUUPISA-N 436.520 2.276 30 10 IEEE Cn1nncc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503689109 HOTIDFFZVFOXNL-UHFFFAOYSA-N 437.527 2.381 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)C[C@H]1O 1503880574 DCPHTCHHVBGMSD-KZNAEPCWSA-N 427.530 2.073 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC[C@H]1C 1504517178 DBDXEXVKQXWQBM-LLBVYWAGSA-N 441.532 2.395 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC(F)(F)Br)cc1 1505316566 JFSSWSCJMBTTLN-UHFFFAOYSA-N 430.278 2.373 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1507698860 RYBXKVWZAWNZLM-LJQANCHMSA-N 428.556 2.482 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1507718088 AZIIMEDEUXTHHS-AWRGLXIESA-N 446.640 2.268 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCS(=O)(=O)CC 1507802869 DDNZWSHYFNRMBT-AZUAARDMSA-N 433.578 2.116 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccccn2)CC1 1508091366 KXAWNHCCAPNQJE-UHFFFAOYSA-N 447.543 2.189 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1508093586 CNXXXTARSSIPIU-NTKDMRAZSA-N 439.560 2.140 30 10 IEEE Cc1nccn1CCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1511607423 GTOAUMONIPSZMG-SIKLNZKXSA-N 443.552 2.033 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC(=O)N2C)cc1 1531354690 NHLSQXHZHPEZGW-TZIWHRDSSA-N 430.468 2.365 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)N(C(=O)OCc2ccccc2)C1 1536708525 KBYRYSIOABCJFK-UXHICEINSA-N 428.485 2.277 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)C1 1537060198 GEGKCJVANXTHDN-ZWKOTPCHSA-N 446.573 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 1537621599 MYWDCMASGOWTGY-JOCHJYFZSA-N 425.489 2.500 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1538963755 GMVAMNAVHHGMFI-QVKFZJNVSA-N 431.924 2.125 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOCc2ccc(OC)cc2)CC1 1539453284 HMARQXNBGUZRSH-UHFFFAOYSA-N 446.555 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1539489243 JODZHHLBFOIPQY-LEWJYISDSA-N 442.608 2.216 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(N)=O)C1 1539499023 BOEZMBULOBFFGL-LLVKDONJSA-N 440.392 2.447 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539506076 QEGJRUPQHXFNHL-KRWDZBQOSA-N 433.603 2.138 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](NC(C)=O)C1 1539614666 BBGMYIYEBRQELC-SXLOBPIMSA-N 446.596 2.283 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1539676906 XYKYIGGLEYQEIV-QGZVFWFLSA-N 432.594 2.393 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)N(C)C)CC1 1539882685 UHKDAPZCAJPRNO-UHFFFAOYSA-N 449.577 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ncc(CC)s1 1540902572 MGZPUDHQLJLQNM-AWEZNQCLSA-N 425.580 2.038 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1541714234 QUJFQGILAKJBEO-OXQOHEQNSA-N 439.582 2.024 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN(C(C)C)C1 1548137456 DZVZQQBXXGNATJ-KRWDZBQOSA-N 439.564 2.470 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1548321860 DGOBKSGTSVTSEV-UHFFFAOYSA-N 446.558 2.256 30 10 IEEE Cn1cnnc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@](F)(C#N)C1 1554351826 GCAXSFVPNOBJTM-HNNXBMFYSA-N 437.302 2.388 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555716511 WEMWHWQAMGOCDA-NRFANRHFSA-N 435.532 2.046 30 10 IEEE O=C(Nc1ccsc1C(=O)NCC#CCO)c1ccccc1I 1556370461 VKRHMPQWHUTBBM-UHFFFAOYSA-N 440.262 2.331 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 1557715352 PNRVBGHYFMNUCN-UHFFFAOYSA-N 430.505 2.469 30 10 IEEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1560136201 NFBSCPXEMODWNU-IBGZPJMESA-N 425.554 2.018 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)c1 1561841870 IIZKFPPXGSKSPD-UHFFFAOYSA-N 435.571 2.126 30 10 IEEE C#CC[C@H](NC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1)C(=O)OC 1570221776 VVFLBVVEACGJAB-ONGXEEELSA-N 427.242 2.385 30 10 IEEE C#Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1583381984 CICMMDLGGQRPMV-SFHVURJKSA-N 427.482 2.293 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cnc(Cl)cc2C#N)C1=O 1586414129 IZDQHYAUDUZZEA-FQEVSTJZSA-N 427.848 2.329 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)s1 1587192540 SQSDJXDQXHHTGQ-HXUWFJFHSA-N 430.555 2.234 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1587550540 NICGZGYWFXMTOO-AZUAARDMSA-N 437.544 2.496 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1cccc(F)c1 1587562993 WBZASMMCOKSAKS-UXLLHSPISA-N 437.541 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(CC)CC)N(C)C)CC1 1588930046 MDCURWNBSYBPPX-LEWJYISDSA-N 444.624 2.114 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589295391 FVRWDJIJSUGKCL-OAHLLOKOSA-N 427.391 2.347 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589421026 COOVPBFCIMUSQC-UHFFFAOYSA-N 434.404 2.245 30 10 IEEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594581776 BBRDNQKBMDHVER-UHFFFAOYSA-N 426.521 2.130 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1594661147 RGEFEQKZHKTVNB-UHFFFAOYSA-N 428.497 2.427 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594813863 ZULGBROLPSQKHA-GOSISDBHSA-N 432.569 2.101 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1)c1cc[nH]n1 1596428990 PQTZKGYKAKTBQS-ZDUSSCGKSA-N 431.518 2.045 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)c1 1597757877 UUNKPADLEMTBMT-UHFFFAOYSA-N 446.491 2.210 30 10 IEEE Cn1cnn(-c2ccc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1=O 1597949895 JCTPQSJTPVTHHA-UHFFFAOYSA-N 425.489 2.160 30 10 IEEE COC(=O)[C@@H](Cc1ccccc1Br)NC(=O)C#Cc1ccc2c(c1)OCO2 1603015325 HFCJCOPNADTYBI-MRXNPFEDSA-N 430.254 2.430 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(S(=O)(=O)NCc3ccco3)c1)C2 1603039183 VLKSKAWUDRDCJI-UHFFFAOYSA-N 442.522 2.472 30 10 IEEE CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1611285532 UAKDXVPNFFCRCC-UHFFFAOYSA-N 437.424 2.472 30 10 IEEE C[C@@]1(C#N)CN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CCO1 1611488847 BYCJTVVEQUHIEW-HXUWFJFHSA-N 431.539 2.250 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)c1 1614875014 FNRFOUUQLYZCRA-UHFFFAOYSA-N 433.795 2.434 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1617008220 SKRZCPDVPFUZSM-QBEKEKFNSA-N 430.553 2.256 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)NCc3ccc(C(=O)NO)cc3)CCC2)C1 1618007919 QBAVYPVOCUDDPG-QHCPKHFHSA-N 447.532 2.354 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1619845218 SWFDBPPAZHMFPH-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1620346635 FCXGXRQQVNWEJU-VGSWGCGISA-N 442.495 2.140 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 1627350825 DYRRIVPBAMODPO-GOSISDBHSA-N 449.573 2.128 30 10 IEEE Cc1cc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)no1 1628684985 UDQZXZSUAOBWDS-FRIYVGAWSA-N 443.548 2.414 30 10 IEEE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1630415519 QTRISNHXTNBREN-LFOMFWNPSA-N 434.537 2.301 30 10 IEEE C#C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CCOCC1 1633417402 FIRGKHMKRSEBCG-KRWDZBQOSA-N 439.553 2.293 30 10 IEEE CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1633661376 RIBSNYMCRXEFGS-IIBYNOLFSA-N 425.526 2.392 30 10 IEEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304865 WTDDINBJOJOPEM-LJQANCHMSA-N 432.542 2.168 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1637004788 PBUJXNSZMRGKFI-OAQYLSRUSA-N 430.574 2.250 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 1640419658 CKGSKXYJSXBUGO-UHFFFAOYSA-N 431.370 2.361 30 10 IEEE C=CCC1(O)CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 1644943008 PAIZVHRDJVNVBW-UHFFFAOYSA-N 448.589 2.169 30 10 IEEE Cc1csc(C[C@@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1645625343 FJYUAOHZMNFWFY-RDJZCZTQSA-N 432.571 2.471 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 1648154377 YQNHZDIFRMOAIA-LNEUUDGLSA-N 448.317 2.176 30 10 IEEE C=CCC[C@@H]1CCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1653192781 MJCOBUUGSRLFKW-LJQANCHMSA-N 433.574 2.257 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C[C@@H](O)c1cccc(C#N)c1)C2 1655584324 NPBOWPMGCLHBFT-ISJRUSPKSA-N 429.517 2.370 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1657715628 NQBHZEFMAISWBN-QGZVFWFLSA-N 435.546 2.373 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)NCc1c(I)cnn1C 1667568474 XBGNDZOVFVCQRO-UHFFFAOYSA-N 428.205 2.498 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)CC1 1668222054 BUAJNJPBHXMVDR-UHFFFAOYSA-N 444.513 2.105 30 10 IEEE COCCN(CCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C(=O)OC(C)(C)C 1681074953 IWJZNBBTAGURJK-GOSISDBHSA-N 446.552 2.423 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1683129788 DYRWXGXTUIECAB-QAPCUYQASA-N 427.501 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1689826499 OYEOVGNCNJNYCH-HNNXBMFYSA-N 439.520 2.250 30 10 IEEE C#CCCCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1689906865 UHVDSWMIXPDZKV-QFIPXVFZSA-N 427.553 2.242 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1689947928 OQYHISCHHPQLAC-IAGOWNOFSA-N 429.496 2.122 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1689990060 LCEYEWDBYGBIKI-ZGYCNENWSA-N 442.541 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690056137 HBRJYXOKYODJHV-DHIUTWEWSA-N 433.556 2.494 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCOCC1 1690091185 LGNBEVDANYBKNP-AZUAARDMSA-N 427.524 2.282 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1690722205 AYOTXGBCGGDUSL-QFIPXVFZSA-N 441.557 2.280 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCOCC2)CCOC1 1692583157 NJZWQSIQPBKEEV-XZOQPEGZSA-N 446.596 2.171 30 10 IEEE CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1694146734 DLTKYINUSMESIP-VQIMIIECSA-N 446.577 2.180 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1694212441 CAZBRBQFLTVGEG-OXJNMPFZSA-N 437.548 2.226 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1696712716 JOWFMNLVYFPLSH-UHFFFAOYSA-N 428.456 2.153 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705511906 JOXUTFJTKDNSRG-IBGZPJMESA-N 447.547 2.029 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705533211 VQZMAUFWEINDQH-LJQANCHMSA-N 439.564 2.409 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1705557074 LEDPYLZEHHYDNP-UHFFFAOYSA-N 436.491 2.346 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705571273 XJGXKRGYMABTDA-HXUWFJFHSA-N 429.590 2.218 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1705613409 GZDQCKCAZPWHFF-GOSISDBHSA-N 444.580 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C)on2)CC1 1705646139 SNMQCTZNPAEMFV-UHFFFAOYSA-N 439.907 2.304 30 10 IEEE C=C(Cl)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760301 FYBJHOXXVCDLMM-QFBILLFUSA-N 447.001 2.475 30 10 IEEE C=CCn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1705893300 BJKTWBWLSXBPBK-QHCPKHFHSA-N 425.533 2.140 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCC)C1 1705925959 WMWSWOHVTFWVGT-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE Cc1occc1CN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1707016724 DOXNBQIBROMZOI-QTIQAUKSSA-N 426.477 2.194 30 10 IEEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)OC 1708672445 BUFJPBIQGXXPPF-UHFFFAOYSA-N 440.548 2.493 30 10 IEEE CCc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1709146859 YDOQJUJZENAKRN-ZWKOTPCHSA-N 439.564 2.170 30 10 IEEE Cn1nccc1C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1711288167 ZKLOBNPCMHMFDK-UHFFFAOYSA-N 435.532 2.333 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712217184 CZFJGNHKHRDVQK-VZCXRCSSSA-N 438.488 2.156 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1722276262 HUUJBKDLDXBCCR-CABCVRRESA-N 425.468 2.168 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1722279105 AEBFSXUQKGMRCR-NPMXOYFQSA-N 446.515 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1722282500 PYPMQIRYDQDTSA-VFNWGFHPSA-N 448.614 2.283 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CSCCS1 1722292988 KULNGDGGIMKWHH-HUUCEWRRSA-N 440.598 2.499 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722338503 JDNVRRUSPQGTDS-IBGZPJMESA-N 430.574 2.499 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722342994 BEJVWKKGXYNFHV-APWZRJJASA-N 429.487 2.272 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1722431558 QYIZNNQYQNDLEI-AUMHUTNHSA-N 445.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1722432885 IDTAMOLZCATYNZ-OYDLWJJNSA-N 445.608 2.422 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC1 1722498989 CKBLYPYUPNQQKC-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1722581340 TVOQZTOMHODTSG-UHFFFAOYSA-N 430.597 2.417 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(c2cncc3ncnn23)CC1 1722589607 LEWVVLZIVPSDIA-UHFFFAOYSA-N 425.541 2.181 30 10 IEEE C=CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1)C1CC1 1722654470 XZUQSKHCUHYBSX-UHFFFAOYSA-N 429.496 2.433 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1722700557 MEPFRXJERPDWHE-JOCHJYFZSA-N 446.555 2.404 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@](C)(O)c2ccccc2)C1 1722708866 FEWZDHLTGDNEEG-XXBNENTESA-N 427.549 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CC)C2)C1 1722709610 UHTPNKQLZVGNCJ-QZTJIDSGSA-N 425.537 2.049 30 10 IEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1723083656 YWSVPSXSTLSLER-DLBZAZTESA-N 426.521 2.284 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1723676317 IDAGWJIKGAHALV-PGRDOPGGSA-N 433.553 2.254 30 10 IEEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1723712990 CQTOQEYXYQCKAJ-UHFFFAOYSA-N 426.521 2.103 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1726841814 QATZDBFMKSCEFA-KBXCAEBGSA-N 441.536 2.012 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1728590119 HZFKXLKSTMUIOV-NQIIRXRSSA-N 440.548 2.469 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CSCCS1 1729033514 KRNRTSKQTOGCKU-OAHLLOKOSA-N 432.575 2.198 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1Cc1ccc(-n2cncn2)nc1 1740614377 PGRIEBFLNZOUFL-UHFFFAOYSA-N 444.499 2.349 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740712524 KWZUHJLWUVMGPD-HXUWFJFHSA-N 436.585 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1740764228 BWDCQQRFCSHBFI-BRIYLRKRSA-N 431.581 2.490 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740773407 YZIVLFKHNYFRBS-OAQYLSRUSA-N 429.546 2.378 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740807731 LMIAOYQAEKMQMJ-LBPRGKRZSA-N 431.349 2.216 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1740899788 IXCTZIKZOZBRIA-QUCCMNQESA-N 445.589 2.353 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc2[C@H]1C 1740985186 DDIHDBVSPCSDMP-MRXNPFEDSA-N 431.562 2.141 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1COCCO1 1741126378 RQYSPQIMMQHQAC-ZFWWWQNUSA-N 437.342 2.447 30 10 IEEE CCOC[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1747275562 HZTKYQOTADFXAC-XGIGFIBQSA-N 436.516 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cnc2ccccc21 1748874794 FFBBLAVIUIZMRW-UHFFFAOYSA-N 438.495 2.438 30 10 IEEE C=C(Br)Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1749112107 BHCVVILEFYYVJQ-GOSISDBHSA-N 443.342 2.228 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(CN2CCOCC2)CC1 1749141431 ZBMDXZWBFMICSB-RBBKRZOGSA-N 433.597 2.344 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCC2)C1 1749456812 BACSYEBBBYKRRD-GOSISDBHSA-N 438.594 2.312 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1749465035 LGOZWNYFRZBFCO-HUUCEWRRSA-N 445.549 2.364 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CCO1 1749575951 DEBUDNWWVNHMME-UYAOXDASSA-N 427.505 2.007 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CCC)C1 1749650415 WDNDPKKDESABEV-IBGZPJMESA-N 440.548 2.455 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749676420 PTJBXPMDAZRBNQ-HXUWFJFHSA-N 434.548 2.221 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1749677328 WASIAKXXXHPWIW-KRWDZBQOSA-N 427.549 2.378 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccccc2[C@H]1C 1749682864 BIWPLMFYXMKYNO-MMOPVJDHSA-N 425.533 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1749739918 NHHIETHGWQBNRQ-XLIONFOSSA-N 426.583 2.298 30 10 IEEE CC(C)(C)[C@@]1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750122125 VIZRILCFLKKNFX-IESBNPPRSA-N 442.564 2.398 30 10 IEEE CC(C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750656159 WJBUELVYUGKBLE-ZPHPHTNESA-N 446.577 2.030 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1751279140 STNLVYZSWYAGMJ-ZDUSSCGKSA-N 435.472 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1760099422 GQEZQCNORUFZPB-ZHRRBRCNSA-N 429.521 2.237 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1760141113 JWQKYWUBVCHASD-UHFFFAOYSA-N 425.537 2.454 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760178549 RIGLFAYVHICTMA-GOSISDBHSA-N 437.466 2.498 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1760188341 KBJMFBBLUBYIKR-IBGZPJMESA-N 436.541 2.027 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC(F)F 1760226263 QGNCVZWVDFLTPG-UHFFFAOYSA-N 440.520 2.288 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ccn(C)n2)CC1 1760255921 CKRMYKXAUSETKQ-GOSISDBHSA-N 437.523 2.289 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760335184 LZAVPPUFSHVRQH-LNLFQRSKSA-N 431.562 2.253 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1CCOCC1 1760353370 PQAYSSRHQSJZEM-UHFFFAOYSA-N 429.521 2.035 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)CC1)c1ccccc1 1760420477 PLVXECZJOLLPJA-LJQANCHMSA-N 427.574 2.329 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2ccccc2CO)CC1 1760523905 KQMIWHYDEMTNRO-FQEVSTJZSA-N 439.560 2.351 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)C1 1760541445 CCGZHUZXLZBHDE-SJLPKXTDSA-N 444.536 2.362 30 10 IEEE CC(C)(C)NC(=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1760772830 GYPFBCLHFMJUIR-UHFFFAOYSA-N 438.580 2.474 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1763684456 XZNQYCCSCQEUNZ-DEOSSOPVSA-N 449.559 2.180 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1766694154 WKDAMHHTHYREIM-UHFFFAOYSA-N 435.525 2.348 30 10 IEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)CC(F)(F)F 1768885062 BZAZBRCRMLFZPP-FQEVSTJZSA-N 449.481 2.403 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC 1769287107 FGIUHBRPGNFLIC-UHFFFAOYSA-N 449.515 2.240 30 10 IEEE CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1770596307 CZASYZIOGYXDSI-NXHRZFHOSA-N 448.618 2.385 30 10 IEEE COCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1771028641 XBAVOBWVAGXHMV-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE C[S@](=O)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1771371823 GZXLETOXNSMHLT-WRGVRERRSA-N 425.493 2.104 30 10 IEEE CC(C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CCC#N)CC1 1850851221 MYGGBRGRCWFSEZ-GOSISDBHSA-N 426.970 2.091 30 10 IEEE CCOc1cc(OCC)c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cn1 1852000407 IDKRDHKSHWRRFO-UHFFFAOYSA-N 425.489 2.125 30 10 IEEE C=CCOC(=O)[C@H](NC(=O)[C@H]1CCCN1C)c1ccccc1I 1852857028 CJSBSSLPVDMKEZ-HUUCEWRRSA-N 428.270 2.272 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1=O 1854355328 WXQRDUWCLIJYQQ-LJQANCHMSA-N 429.542 2.255 30 10 IEEE N#Cc1cccc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)C2=O)c1 1854931521 YJBSXZUQHMTZJK-IBGZPJMESA-N 443.912 2.111 30 10 IEEE CC(C)c1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857039639 XTMIOGCNGSTRIB-HXUWFJFHSA-N 431.558 2.293 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCCc4ccccc43)C2)CC1 1857054093 ZYCMCFOFUUXPJF-QUCCMNQESA-N 429.542 2.047 30 10 IEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)CO4)n2)cc1 1857806817 KHAZJMROTVWEBD-RMORIDSASA-N 436.497 2.070 30 10 IEEE Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)CC2)n1 1857968914 CHEWOZAASDFWEN-HXUWFJFHSA-N 446.511 2.016 30 10 IEEE COc1ccc(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)nc2O)cc1OC 1859430463 WHFYRQFUSLCRCT-UHFFFAOYSA-N 446.511 2.379 30 10 IEEE CCCOc1ccc(C(=O)N=c2nnc(CCC(=O)Nc3ccccc3C#N)c(O)[nH]2)cc1 1860861770 MXMXLYYJHSTMJH-UHFFFAOYSA-N 446.467 2.483 30 10 IEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCOc1ccc(CC)cc1Br 1861689927 KOFAWJFJBBYELA-DOTOQJQBSA-N 439.350 2.435 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)Cc2ccccc2)cn1CCCO 1870507304 RVSNLUOWTWQUPJ-UHFFFAOYSA-N 439.556 2.442 30 10 IEEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870514685 CRADIRFIEOETSU-UHFFFAOYSA-N 433.549 2.011 30 10 IEEE CCSc1nnc(CCOC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874471234 VLTVSFQPXAGUHO-CJLVFECKSA-N 449.577 2.181 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874501111 QKUBESFXDXUNMI-QGMBQPNBSA-N 433.475 2.402 30 10 IEEE CC(C)(C#N)CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1982312367 AMPFVEJBCOEOMA-UHFFFAOYSA-N 448.586 2.217 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccnc1I 1985061087 WTMGMJMOWVWUEC-SNVBAGLBSA-N 430.246 2.326 30 10 IEEE C#CC[C@@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(=O)O 2010078260 UEAPBBCUJAOLSS-WZONZLPQSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1cc(Br)cc(F)c1C#N 2225622360 JHULKHODMYLXIN-ILXRZTDVSA-N 430.274 2.213 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255539720 COWQXAPDWANKFZ-FPTDNZKUSA-N 429.326 2.120 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255654760 CMKOFZCYBWZLHR-IBGZPJMESA-N 427.354 2.379 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C 2257487908 RXRDXVHWVPKCAT-KTKRTIGZSA-N 431.342 2.500 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267093485 UYOBTGNAMCIFCR-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267140160 ASGUMSYWOYTUPM-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2267143841 NSCRLGMXNXCBHG-FMKPAKJESA-N 446.357 2.084 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267183672 HSWJEJINBMHQCZ-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267502683 RIJBLGPSYWYCMU-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)n1 2267505158 DJGYCOIIZHQJIK-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE Cn1nc(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548481 GEBRUZZAHUAOML-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268632963 PKALHAVWJGPSLD-SFHVURJKSA-N 446.353 2.104 30 10 IEEE CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 2314426364 ZDMVCRAGRFBTTL-UHFFFAOYSA-N 431.587 2.021 30 10 IEEE COc1cccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 2329045294 ZPXASDSMANEHME-HNNXBMFYSA-N 433.534 2.073 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 2337190373 NCMXIEHLBCDEAQ-LJQANCHMSA-N 438.381 2.361 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCN(Cc2ccccc2)C1 2337191360 YAAMCBKREQBLBR-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)c1 20527432 VUXQMPFXNQQHEH-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)cn1 59831860 GSUDEZGTBKUDNS-ZVBGSRNCSA-N 426.506 2.050 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1 96351154 HCZMIMOJQZRFMV-UHFFFAOYSA-N 439.537 2.109 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c(C)c1 103130844 BRLFIYYZQUXWEU-AGGMBTAESA-N 437.496 2.153 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 109936506 HTIONSMWWCJNCA-IBGZPJMESA-N 441.557 2.326 30 10 IEEE CC(=O)OCC(=O)[C@]1(O)[C@@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 301054736 HYRKAAMZBDSJFJ-JLTLDPLKSA-N 434.504 2.322 30 10 IEEE Cc1ccc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1S(=O)(=O)NCC#N 434032143 QHIXCGZJCYHOAZ-MRXNPFEDSA-N 443.451 2.181 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)cc1 440582431 HUSSUQVQQYBNFU-OAHLLOKOSA-N 436.468 2.377 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCSC 443548052 BZVNXNJHWHAAQW-UHFFFAOYSA-N 437.546 2.062 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 460375558 PXYNNJJCOYDTJK-JOCHJYFZSA-N 448.571 2.402 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465480980 BSZRWVXYSCSFKY-GCJKJVERSA-N 446.555 2.385 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)NCCOc3ccc(C#N)cc3)C2=O)c1 478490518 MZKPWCHNCKXQFZ-OAQYLSRUSA-N 438.484 2.401 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 480499897 JOWKKSVTTLFVJM-LIRRHRJNSA-N 433.917 2.479 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1 488373730 OIWUJIBLJLDWBB-VBCDKBITSA-N 443.569 2.124 30 10 IEEE Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1F 489115118 GCYXVVRCAYSOOL-UHFFFAOYSA-N 430.505 2.426 30 10 IEEE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503610744 NEYIYUDLUUPYQS-QZTJIDSGSA-N 426.517 2.053 30 10 IEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(=O)N(C)C)CC1 508924137 XDMTXEIEBVZCDD-KRWDZBQOSA-N 430.528 2.344 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 515449586 VBUOVGCMWPYMEE-SFHVURJKSA-N 436.512 2.303 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(OC)cc4)C3=O)cc2C1=O 523724276 VWSFCXMYGIVDNQ-HXUWFJFHSA-N 433.464 2.008 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)s2)c1=O 530892909 CJMNIIZAPFRXBL-UHFFFAOYSA-N 427.551 2.142 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)CC2)c1 560614164 AOMWRHUXVLKHTO-UHFFFAOYSA-N 445.472 2.094 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@](C)(C#N)CC(C)C 567785967 FJQDAXOZBIXYQE-OAQYLSRUSA-N 436.578 2.080 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 610205666 OTAKIDJWNRPAFC-DRSNIGMVSA-N 439.516 2.433 30 10 IEEE N#C[C@H](C(=O)CN1CCC(c2nnc3ccccn23)CC1)c1nc(O)c2ccccc2n1 732807081 IGRIIPQGOARDAA-QGZVFWFLSA-N 427.468 2.434 30 10 IEEE C#CCN(C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 743746302 HWGNWQXNQUKKOM-RBUKOAKNSA-N 434.558 2.161 30 10 IEEE C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746102537 AZFUUSFWVYVKCS-IWKHNONTSA-N 439.541 2.418 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 749519974 UEPFZXQQVAGDGL-RDJZCZTQSA-N 449.573 2.330 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 754842474 RNVSBRWEMDVQIL-VQIMIIECSA-N 430.871 2.429 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1OC 756944876 QUTIFENMWXNUGN-LJQANCHMSA-N 444.575 2.171 30 10 IEEE CC(=O)Nc1ccc(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 761510892 HVZDBGKHLNTBQF-UHFFFAOYSA-N 425.470 2.366 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C(=O)Cc1ccccc1 762007153 GORPZKSOUPGUPH-APWZRJJASA-N 441.553 2.456 30 10 IEEE Cc1ccc(N2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 764952988 CENOJBJDXJSMSP-SFHVURJKSA-N 426.542 2.272 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766434508 RJFVIDGDZLJNLY-AZUAARDMSA-N 448.527 2.434 30 10 IEEE COc1cc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 778738710 JFNOXTODWQPZAG-UHFFFAOYSA-N 433.442 2.166 30 10 IEEE COC1(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)CCC1 779746365 SNBWFOFGRRXYNX-QGZVFWFLSA-N 436.553 2.394 30 10 IEEE COCCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(C#N)cn1 780886563 AOEVLBPAEKTZJA-UHFFFAOYSA-N 426.292 2.219 30 10 IEEE C=CC[C@@]1(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 804693604 XVFROJXDPHQZAD-UZLBHIALSA-N 429.583 2.263 30 10 IEEE C[C@H](F)CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 814709380 AUOYLUKUKZMPLE-VIABSEDHSA-N 430.509 2.491 30 10 IEEE CCCN(C(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@@H]1CCS(=O)(=O)C1 925926015 CPPBUGCXKIVISL-HZPDHXFCSA-N 447.513 2.221 30 10 IEEE N#C[C@@H]1COCCN1C(=O)Cc1ccc(I)c(Br)c1 1126148317 GNKKIECADUOYGJ-SNVBAGLBSA-N 435.059 2.347 30 10 IEEE CN=[S@](C)(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1128997334 SPEHTKDDFFBVJP-FZEVHQGJSA-N 439.497 2.488 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1135889367 FAVCTHAVHKQBIC-HTAPYJJXSA-N 429.521 2.064 30 10 IEEE C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1136689236 AVEVSROWFNUPEC-LAUBAEHRSA-N 441.576 2.145 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(I)cc3O)CC2)cn1 1154223596 LBFFGHUTMOUTPX-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)C1(CO)CCCC1)c1cc[nH]n1 1163477522 YGBZGYLHWPAWPP-HXUWFJFHSA-N 428.489 2.104 30 10 IEEE CN(C)C(=O)CN1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 1177735928 XVERMAMIBXWFCG-UHFFFAOYSA-N 445.995 2.441 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncc(Br)n2C1 1180641046 UIBVAWIBFHRCQL-CHWSQXEVSA-N 425.327 2.383 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1286379271 MAXYDRFWPPIWPF-QGZVFWFLSA-N 425.533 2.366 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1286383713 DRZZBGGOPSXDFD-PXNSSMCTSA-N 433.622 2.293 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccccc2)n1 1286471220 KESMCGQPHNYVOQ-UHFFFAOYSA-N 428.500 2.266 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1286476978 MDXCAPHOMWSGLL-GOSISDBHSA-N 439.564 2.256 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1286967848 HTLRPMYIKJLDCH-NVXWUHKLSA-N 440.529 2.479 30 10 IEEE CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287102560 OGSBPIKPBLFRHS-UHFFFAOYSA-N 434.548 2.464 30 10 IEEE C#CCN(CC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)C(=O)OC(C)(C)C 1296045121 GHTMKAMZSMMMMB-UHFFFAOYSA-N 429.517 2.126 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1 1297652228 BCHYZWGPHXBWFJ-KRWDZBQOSA-N 430.578 2.172 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccccn1 1298998246 AASWYLBGWOYOTJ-KRWDZBQOSA-N 433.516 2.185 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1300421217 AFKIGZHLLLEABS-UHFFFAOYSA-N 445.571 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300528426 WEEALIPQILENAS-IBGZPJMESA-N 446.477 2.375 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1300579596 XFNLPSDJTGVDCE-NJDAHSKKSA-N 445.633 2.011 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(C)nn(C)c2C)CC1 1300710098 RZMLQWHXIVVIAN-UHFFFAOYSA-N 449.559 2.020 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1301218635 FUEGVMMDGPAZKF-CQSZACIVSA-N 444.517 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1301490345 RMCSEHBOFKVZGK-UHFFFAOYSA-N 436.482 2.494 30 10 IEEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1301550830 SBBIIJKQTJEVPA-UHFFFAOYSA-N 425.537 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301586749 IPMGVFQYLAWLSE-RTBURBONSA-N 448.564 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2C(C)C)nnc1[C@@]1(OCC)CCOC1 1301596745 XNNZAGRKAMYYRW-FXAWDEMLSA-N 426.583 2.156 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1301650486 DXNMSJLFFBHKHB-LJQANCHMSA-N 449.559 2.167 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1301861433 UZMMEHKYVKHOJL-HOTGVXAUSA-N 441.492 2.087 30 10 IEEE COCCN1C[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1301863038 FBKOIOQEVUHFHZ-FGSXEWAUSA-N 430.553 2.145 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1303436970 SXAFVZAEJZQLTF-SFHVURJKSA-N 438.532 2.321 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cc(C(C)(C)C)no1 1303833410 HEPBATCWQFDUPC-CQSZACIVSA-N 449.581 2.352 30 10 IEEE CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1305307930 VPXVDPCQSNAPKE-HSZRJFAPSA-N 432.532 2.018 30 10 IEEE C#CCOc1ccc(CNC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1 1312736173 KVAYILZUFLWCIW-UHFFFAOYSA-N 440.504 2.081 30 10 IEEE CN(c1cccc(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1)S(C)(=O)=O 1313399895 NVRGQMBLPPXECL-SFHVURJKSA-N 442.545 2.135 30 10 IEEE C#CCN(C(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1318977935 VEYZRFPNTDCJSW-LJQANCHMSA-N 436.537 2.359 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)C1 1323728183 GMRDJZPMAKDZQA-SFHVURJKSA-N 425.526 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1noc2c1CCCC2 1358982483 YPENWPHKTSSAJH-UHFFFAOYSA-N 434.525 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnccc1OC 1358987737 QJSMCNCULIZVCG-UHFFFAOYSA-N 449.536 2.263 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2C[C@@H]2C)CC1 1359047116 RLUZNLFGVBBBEX-PXNSSMCTSA-N 432.528 2.351 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1359060898 KQDICPXKNJAAAK-KRWDZBQOSA-N 443.573 2.195 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359287960 JPLVUEIJMFUIMJ-UHFFFAOYSA-N 432.519 2.324 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359298084 MCSOBRFBEDEGMC-KRWDZBQOSA-N 441.536 2.136 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1359302570 LTXXVQOTJWCAQP-FQEVSTJZSA-N 438.576 2.244 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1359346135 BWKPUTJBTAFIBO-UHFFFAOYSA-N 438.575 2.020 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1359466463 BRQZUGOQKFBCHP-KJEZJMDVSA-N 448.980 2.368 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)CCS2(=O)=O 1439949223 JXZDSKTZPFKESP-WUZYXKQASA-N 448.541 2.123 30 10 IEEE CN1CCN(CCCNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1440645196 KXFIIJHKGVSGPA-OAQYLSRUSA-N 441.576 2.146 30 10 IEEE C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)C1=O 1475242326 NJJAXPMSEZOVQM-PMACEKPBSA-N 449.573 2.226 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1477916379 ZGOBRGZHUPUKMF-UHFFFAOYSA-N 427.526 2.435 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1505136071 ACYSYSRBXGXSOO-AEFFLSMTSA-N 432.525 2.037 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1505206999 CIBLWLNNESJSED-XJKSGUPXSA-N 438.579 2.123 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1507680178 YYHYMSICAKYLCN-ZDUSSCGKSA-N 434.547 2.113 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N(C)C1CC1 1507711565 XFCWSGBUZSRTHD-LAUBAEHRSA-N 425.533 2.359 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507724625 IFTQKZLFEIQJKR-GOSISDBHSA-N 441.580 2.342 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507839224 PXAUTIMYPWQMCR-GOSISDBHSA-N 441.492 2.002 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1507965204 QAXYUVOFUJGSKK-OALUTQOASA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 1508076044 RQBXALZENAHDOP-HNNXBMFYSA-N 446.939 2.042 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1508234829 BOWVRRCJINAGGS-QFIPXVFZSA-N 436.541 2.454 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cc2ccccc2o1 1510189106 FTSGWRUDHNENKI-VLIAUNLRSA-N 446.508 2.319 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(c2)SCC(=O)N3)c1 1518824163 AYBRAHIFLYNYKF-UHFFFAOYSA-N 435.505 2.218 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCc1cccc(C(N)=O)c1 1519263323 ZPYROMHYDCIYBU-INIZCTEOSA-N 426.521 2.084 30 10 IEEE COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1538727702 ZQGOXDWKCDCUEC-MAUMQABQSA-N 425.272 2.336 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1539115801 CAOMNZPORFJNMK-LJQANCHMSA-N 438.507 2.311 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539220280 HVCBTYYHUMCIPO-HXUWFJFHSA-N 444.605 2.466 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539221876 RUBZBKIIFQCKNF-MRXNPFEDSA-N 447.527 2.057 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 1539229922 ADDDKNQMKDFIQC-GOSISDBHSA-N 442.541 2.430 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539231229 PYGGCRMSPGBWHO-RTBURBONSA-N 432.521 2.138 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1539237534 FXIGHVXMGYWELR-GBXCKJPGSA-N 436.560 2.474 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCN1CCOC(C)(C)C1 1539278991 POUNJGPMVSVXSN-UHFFFAOYSA-N 437.544 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(N2CCCCC2)c1 1539317845 KCIOGZNGUJZTQL-FQEVSTJZSA-N 431.544 2.126 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1539363585 SFBUWUAQQSAAKT-UHFFFAOYSA-N 449.559 2.468 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCN(C)C1 1539396988 WELULPKKZRCKMZ-VGOFRKELSA-N 447.967 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccoc1 1539401104 SWJZWPSWBCWKNG-UHFFFAOYSA-N 442.545 2.274 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1539461526 GYPJYUOBRYSLJM-PMACEKPBSA-N 439.560 2.436 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539514688 TWRZJDLYENINBO-INIZCTEOSA-N 448.593 2.089 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539616738 RTPDKQBJCGZLIS-ZJOUEHCJSA-N 432.613 2.419 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1539744512 OJBAHLUFXZJUFX-IRXDYDNUSA-N 448.568 2.315 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H](C)C1CCC1 1539803161 FTFCBBIVOJUBFW-ZBFHGGJFSA-N 431.990 2.378 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539917502 DYNQVCZUEZTUGG-KURKYZTESA-N 446.596 2.199 30 10 IEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1540154286 TYRGBFIXQVMXCI-QGZVFWFLSA-N 446.577 2.140 30 10 IEEE N#Cc1c(CCCNC(=O)c2ccc(Cn3ccnn3)cc2)nn(-c2ccc(F)cc2)c1N 1540746583 BIQGZMWJOZVXQK-UHFFFAOYSA-N 444.474 2.468 30 10 IEEE CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)N(C)C 1545804904 DPINTTCSGGGQIV-HXUWFJFHSA-N 427.601 2.193 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1547320093 FYZULZOGCAEUBF-GOSISDBHSA-N 426.521 2.070 30 10 IEEE CC(C)(C)OC(=O)CC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCOCC1 1556132738 SOKKFNYAYFAPBJ-HOTGVXAUSA-N 437.537 2.390 30 10 IEEE COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 1558219177 NXLBTRWPLITKCB-KRWDZBQOSA-N 449.385 2.087 30 10 IEEE C#CCC1(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCCC1 1585654275 VTSYSLYLTLDHAR-UHFFFAOYSA-N 447.601 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1587567072 AUYSWYMZHFACBM-YADARESESA-N 439.560 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1587620661 JBFWPZYKFPGSGP-MRXNPFEDSA-N 435.532 2.163 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1587773747 UAHBVAZZAJYEID-LJQANCHMSA-N 441.543 2.444 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(COCC(F)(F)F)c1 1588128497 MPJANBYAORGHRM-GOSISDBHSA-N 445.445 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCc1nc2ccccc2[nH]1 1588245465 FMEOBAIZZICESZ-UHFFFAOYSA-N 429.528 2.373 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1589028098 YFLGBYRXMAMCPK-QFBILLFUSA-N 438.561 2.148 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589481739 BYQDPMBRCKPIRJ-FUHWJXTLSA-N 425.599 2.243 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1593757332 BECCJJMDWDXUEF-GOSISDBHSA-N 437.548 2.166 30 10 IEEE C=CCCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1594775101 PVBXYAIXSLOAAP-HXUWFJFHSA-N 426.583 2.300 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1594957015 WVOTXJTZVWXBBP-UHFFFAOYSA-N 432.532 2.222 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1594962347 KIBJHYYJIGSYMX-IBGZPJMESA-N 431.562 2.159 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1595530009 PMZNUXGCCFFBCT-UHFFFAOYSA-N 449.559 2.188 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1595901172 QGRVQVWSNWFKLO-UHFFFAOYSA-N 431.610 2.364 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1597064566 KMNYPHGKGQNCMD-HOTGVXAUSA-N 425.526 2.105 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CC(F)(F)CO3)CC2)c1C#N 1612470914 WYYCZNWPBBXHEP-OAHLLOKOSA-N 448.522 2.240 30 10 IEEE COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#CCO 1617907141 HOKSVTNXLGGRBO-OAHLLOKOSA-N 427.295 2.135 30 10 IEEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1620078940 KFMOBHJNBGWREV-SFTDATJTSA-N 441.532 2.285 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1622070523 BESRMHQOPWNLNJ-CQSZACIVSA-N 425.507 2.041 30 10 IEEE C=CCNC(=O)CNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1625182247 GHAYKFGBDQLPEC-UHFFFAOYSA-N 432.502 2.228 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)s1 1636384617 BIFUHQMQVAPFCU-HUUCEWRRSA-N 441.619 2.249 30 10 IEEE O=C(c1ccc2c(c1)COB2O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464437 ZJQHWSWJMJAENI-UWVGGRQHSA-N 429.072 2.147 30 10 IEEE C[C@H]1CN([C@H](C)CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C[C@@H](C)O1 1636495020 HGVNUGUOTYDUCP-KURKYZTESA-N 439.564 2.056 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc(-c2cccnc2Cl)ns1 1638840598 KYOPFHQCFFWEFV-SNVBAGLBSA-N 448.917 2.431 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2ncon2)s1 1639398799 NIGSWZSEUXIDKO-INIZCTEOSA-N 432.527 2.238 30 10 IEEE Cc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1I 1640252114 LTDZLMUDARNMNM-LLVKDONJSA-N 435.225 2.186 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C#Cc1cccs1 1641024129 OXGZDNSDINEWHK-DZGCQCFKSA-N 430.448 2.479 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCC[C@H](CC#N)C2)C1=O 1641296196 HRPISQITVXEGHS-BFUOFWGJSA-N 433.306 2.368 30 10 IEEE C#CCN(CC(=O)NC[C@H]1Cc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 1648318185 MLSZDZXPOWUZNC-HXUWFJFHSA-N 427.545 2.441 30 10 IEEE C=CC[C@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1653340559 HBRUVUKHVAOOKK-KRWDZBQOSA-N 439.965 2.130 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCn3c(CCc4ccccc4)nnc3C2)c1 1655462911 AXJSOPFEXWQHIO-UHFFFAOYSA-N 428.496 2.209 30 10 IEEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)N1CCN(C3CC3)[C@H](C#N)C1)C2 1687459380 ZEWMECWWVSJVMM-OAHLLOKOSA-N 446.577 2.318 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689988077 IRDGTOMCRMTNEM-GOSISDBHSA-N 432.521 2.368 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCC2)CC1 1690115751 RQUJUCXNCZTLMT-UHFFFAOYSA-N 430.350 2.378 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCn2nc(C)nc2C1 1690180327 CSZPMTLJMVZAKB-UHFFFAOYSA-N 437.573 2.358 30 10 IEEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1690326266 XWEWSFJFIQXRAS-IBGZPJMESA-N 438.557 2.298 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1690592557 BCLWXEFXPPHOLR-SFHVURJKSA-N 449.559 2.091 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691512426 DILKEZPVGDDDAG-UHFFFAOYSA-N 449.490 2.391 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)on1 1693546244 AUWSIZCHZKCZAM-UHFFFAOYSA-N 437.504 2.282 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1694129260 PCGXBOGSJDHFRJ-SJLPKXTDSA-N 436.564 2.300 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1698130006 PVCMTQRJQUUQQZ-UXHICEINSA-N 448.612 2.489 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCCOC)c1 1705474578 CTWONSHGTMZWSB-SFHVURJKSA-N 425.533 2.436 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1705489324 NELLDKTXCJCSFE-CQLPTELBSA-N 443.511 2.421 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(C)(=O)=O)cc1 1705555721 XCGMKQIHULDLNJ-UHFFFAOYSA-N 429.571 2.349 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCO2)CC1 1705643551 JZPCFZBVYPDMOC-OALUTQOASA-N 444.580 2.284 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705686727 IZPVOJCPPQDTGA-PBHICJAKSA-N 435.370 2.349 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1705738324 SXZGWAMFZLWLKK-UHFFFAOYSA-N 429.521 2.381 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705900428 DBGMOCOCQKWMMI-KRWDZBQOSA-N 435.532 2.081 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1705906970 WBEHUGWIONPKFZ-SFHVURJKSA-N 441.532 2.166 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1708175396 FGXNCXANUYOROT-JLGINSKQSA-N 438.576 2.381 30 10 IEEE CC[C@]1(C)CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1708856526 TTZSERXVVMUIKP-QFHABUONSA-N 436.516 2.477 30 10 IEEE COc1ccc([C@@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1711719490 BLVPPJXQEOMWSC-QFBILLFUSA-N 426.521 2.347 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccn(CC)c1=O 1722279615 HTGBNTLCWGYBRN-MRXNPFEDSA-N 439.541 2.036 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1722333548 XCLKTPHPEYFVCY-HNNXBMFYSA-N 449.964 2.322 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722366879 SJPJBRMJSRHUSC-HXUWFJFHSA-N 425.558 2.391 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1722367445 LOXKFYVONAHURF-HXUWFJFHSA-N 444.605 2.382 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722440063 ZRWITEQMSXZYJS-FGZHOGPDSA-N 435.620 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1722442888 GPWAJDIBGDWCHO-UHFFFAOYSA-N 434.544 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOCC)CC1 1722443200 PGCLWAAPQBXRMM-UHFFFAOYSA-N 425.533 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1722446012 JIEZXTRFGXMMJS-HSZRJFAPSA-N 425.508 2.168 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1722486895 GULWIERTQTXITL-UHFFFAOYSA-N 436.358 2.153 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722627413 UOYRGNXWQCIWEH-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](C#N)C1 1724056406 CMZGRYZZWMDZEB-GOSISDBHSA-N 426.521 2.461 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1728293561 KPTNCJVXAOGFDX-ATZDWAIDSA-N 429.546 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCCC2)CCOCC1 1740557054 HQEHJCPBQXLHKV-IBGZPJMESA-N 425.581 2.243 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740593418 ZRPZJZDZCYJAAK-UHFFFAOYSA-N 429.590 2.451 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740792047 TVSAUAPTCVMYSI-UHFFFAOYSA-N 448.593 2.007 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740794862 JEUYFSXBZYIACX-MRXNPFEDSA-N 433.582 2.115 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(C)c2)CC1 1740868438 KPXMDFXPBWZVLH-LJQANCHMSA-N 446.621 2.485 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1740899743 HPKCLPYJXRFHJN-AWEZNQCLSA-N 435.554 2.417 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1743395167 MLHRFXXKUUAUGG-SGOHWPKCSA-N 427.534 2.130 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1748686500 QKPAICAVMOHAFY-HNNXBMFYSA-N 431.924 2.251 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1748730960 WIISAMHXEBUIPY-ACRUOGEOSA-N 442.564 2.216 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1748816478 ZXZIBZDNCZSDMZ-SJORKVTESA-N 440.660 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1nc2cccc(Cl)c2n1C 1748875697 VAXHATKMOKUUBF-UHFFFAOYSA-N 437.935 2.468 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1ccc(-n2cncn2)nc1 1748956594 UTBCSHLLSOPLAE-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(F)cccc2OC(F)F)CC1 1748986932 MTOZIKQXUVUEQF-UHFFFAOYSA-N 445.449 2.223 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1748990995 NQLDIBAKMPSBIU-QUCCMNQESA-N 428.606 2.292 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749037037 AMUMGCHXKHINJR-CABCVRRESA-N 445.511 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749140855 UAWSRMRUAJZNNF-ZVDOUQERSA-N 430.553 2.206 30 10 IEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1749438620 YUMMQIKRLPGEAO-UHFFFAOYSA-N 437.541 2.480 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749458336 ZRVHCHMJJAAYOL-OAQYLSRUSA-N 439.560 2.266 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCC1 1750061848 AERIGMKNKVUWHQ-INIZCTEOSA-N 446.577 2.096 30 10 IEEE Cc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCCO 1751671672 WYTDQIGYVOLFEA-UHFFFAOYSA-N 434.500 2.188 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1760129404 MEVHSDDQZWWQBT-UHFFFAOYSA-N 442.543 2.256 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(CC)S(C)(=O)=O 1760166918 VPALDRRPPUDVIM-UHFFFAOYSA-N 439.969 2.348 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN(C)C(C)C)CC1 1760264460 PAICCDOYNZAHQB-UHFFFAOYSA-N 428.556 2.482 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760465689 PUZSRMRDLJQJNU-OALUTQOASA-N 430.578 2.090 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1760481583 BXTSHOPWYPEXIA-KRWDZBQOSA-N 443.577 2.171 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1760518620 XXYYMXUDZOVGID-INIZCTEOSA-N 435.536 2.238 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC(C)CC2)C1 1760549490 FSMDYZHKQAIGAM-UXHICEINSA-N 430.597 2.302 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1761356426 HEHZLLRWUFUXCB-OAHLLOKOSA-N 434.508 2.030 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)cc1C 1761826346 HSGQWYUSLLUQFU-UHFFFAOYSA-N 446.577 2.153 30 10 IEEE CC/C=C/Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1765316885 CSMOQYOFGCITCB-ZZXKWVIFSA-N 430.472 2.427 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1766918777 DSLRIRIAEHSZNF-IBGZPJMESA-N 444.605 2.418 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CCC[C@](C)(C#N)C2)c1 1768758586 GALAZCLANADXHA-HSZRJFAPSA-N 446.515 2.304 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2ccccn2)C1 1771527693 CIIIITHXHNEISI-NRFANRHFSA-N 435.467 2.265 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCn2ncc(C(=O)ON3C(=O)c4ccccc4C3=O)c2C1 1772794207 CRMMYAZSYPEBKP-LBPRGKRZSA-N 426.429 2.091 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@@H]1CCN(C)C1=O 1848983941 ZBMXVDVIHGNONE-UXHICEINSA-N 447.601 2.319 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1ccccc1 1852817564 DOIGBNHTBAQXAI-OALUTQOASA-N 428.558 2.336 30 10 IEEE C#CCS(=O)(=O)CCNC(=O)C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O 1853243772 CNQLRGKITRHTDQ-HXUWFJFHSA-N 428.485 2.077 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC(Cn4cncn4)CC3)C2=O)c1 1856520602 FGCYFUMDQKBIBL-IBGZPJMESA-N 426.908 2.151 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nc3ccccc3s2)C1)[C@@H]1CCN(C)C1=O 1857074367 HXFKPXYHXMNWHA-NVXWUHKLSA-N 426.542 2.394 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862594975 XNXHIEWSMJGXID-GOSISDBHSA-N 425.397 2.015 30 10 IEEE COc1cccc(-n2nnc(C#N)c2NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1870143539 QLTTVWHFTPJPQB-IBGZPJMESA-N 444.451 2.407 30 10 IEEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870386464 QJAWDOKXPAPDMO-UHFFFAOYSA-N 425.529 2.362 30 10 IEEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN(CCOC)CCOC)cc1=O 1870562433 GGLKRDCKWRUXML-UHFFFAOYSA-N 444.528 2.043 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CC)CC1)n2CCCOC 1873559354 SIZUKRPCNHMHFT-UHFFFAOYSA-N 426.565 2.424 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc[nH]1 1874274774 PGIKXAQWCIRXOZ-BMYBCIMUSA-N 431.566 2.221 30 10 IEEE CCOc1cc(/C=N/n2c(COC)nnc2SCC(=O)NCc2ccco2)ccc1O 1874500958 JAOLDQJWGWGAMS-LSHDLFTRSA-N 445.501 2.413 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900467253 QWWQFKHBLNYXNY-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224079241 HZDRZYZTQVGVIR-QGZVFWFLSA-N 432.374 2.344 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)C1 2247539088 QDCMTTAZKKPAFD-SHYRYGCCSA-N 431.455 2.210 30 10 IEEE C[C@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255655712 PZRQMEZFPNXLPL-AAEUAGOBSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255699052 UQGBHPRRHOVWHY-CZIWCDLHSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255701075 MMGYJEAWKFRJTA-UHFFFAOYSA-N 435.305 2.070 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2256626748 NPMJYJFWJKQMDI-UHFFFAOYSA-N 431.342 2.404 30 10 IEEE Cc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998847 JDHKFUWLBAZSLA-APWZRJJASA-N 438.381 2.278 30 10 IEEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267265621 IIOJYKVOPABSDC-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2267265876 LMULIHRAMJGEBT-QILLFSRXSA-N 445.369 2.310 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1(CNC(=O)OC(C)(C)C)CCC1 2267499993 BVIMDPROXXTWKE-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE C=CCC1(NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267510313 JSFQBCVXGNRKQV-UHFFFAOYSA-N 446.357 2.015 30 10 IEEE Cn1cc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267514987 HYTVIDXLJKRDBR-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267518392 FEZHKGMANIIZSH-YCPHGPKFSA-N 446.357 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267522658 XJNBWLPWAADJPE-QFIPXVFZSA-N 446.357 2.182 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873436 YNPZIOAZUSEDFN-HKUYNNGSSA-N 436.365 2.274 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 2269033156 WUHUYMQCUHQYCH-SFHVURJKSA-N 442.321 2.202 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2272632299 FFVBUIXAOBNQAQ-IQMFZBJNSA-N 443.353 2.368 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1C(=O)O 2329322843 WNIRTNCUSXTQCP-UHFFFAOYSA-N 425.470 2.153 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)n1C 2337281677 UEDRDYATFRHAKF-IBGZPJMESA-N 438.381 2.374 30 10 IEEE COCC1(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(OC)n2)CN(C(=O)OC(C)(C)C)C1 2339787679 DHONGBANWBCIEY-UHFFFAOYSA-N 449.357 2.437 30 10 IEEE O=C(NCC#CCOc1cccnc1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 90733926 WPADBPNNRZNOKG-OAHLLOKOSA-N 428.286 2.396 30 10 IEEE COc1cc(/C=N\N(CC(=O)O)CC(=O)O)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169880840 YXGWUKLQGQUXBF-NKVSQWTQSA-N 431.401 2.296 30 10 IEEE C=C1[C@H]2CC[C@@H]3[C@@]45CO[C@@](O)([C@H](OC(C)=O)[C@H]4C(C)(C)C=CC5=O)[C@@]3(C2)[C@@H]1OC(C)=O 257565522 VIZWMBLJPXPZSQ-REXMBBPNSA-N 430.497 2.322 30 10 IEEE biogenic C=CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1nc(C(=O)OCC)cs1 409814611 GUQZQDAQUINZGV-UHFFFAOYSA-N 446.441 2.173 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 472687654 ZHOLFTVPLYUBRQ-IBGZPJMESA-N 431.489 2.492 30 10 IEEE Cc1cccc2c1OCC[C@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 473964629 BXRVXITUWDVAEK-HXUWFJFHSA-N 440.525 2.406 30 10 IEEE Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479833545 YLQOBTRYZQFVJV-UHFFFAOYSA-N 447.520 2.470 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cn2)CC1 500633119 ONTZKGIEEZHDRK-UHFFFAOYSA-N 447.587 2.123 30 10 IEEE N#CCOc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(Cc6cccnc6)C(=O)[C@@H]45)[C@H]23)cc1 504102509 QGIBDGKLFHSONI-NYOMPZLHSA-N 428.448 2.154 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)n2)c1 516202665 GSDSKDVIHZADKD-QZTJIDSGSA-N 427.464 2.393 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cc(C#N)ccc4Cl)CC3)C2=O)n(C)n1 552418397 XQGPOKCDQFBREC-LJQANCHMSA-N 440.935 2.207 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)ccc1Br 559605076 GDFROFDZTRBYEH-UHFFFAOYSA-N 448.346 2.450 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1F 563462109 KGZBGMVJVWUBTI-HNNXBMFYSA-N 435.452 2.224 30 10 IEEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 564629995 LSVDFIMIZBODAC-KRWDZBQOSA-N 442.512 2.109 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 567294671 ZCQUECKVNPUCMH-OAHLLOKOSA-N 440.483 2.104 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n([C@@H](C)c2cccs2)c1=O 569512857 BZFUZDQGBKWFPR-AWEZNQCLSA-N 438.578 2.495 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4c(F)cccc4F)CC3)cc2C1=O 589866182 CHEMKVHGIHLJEB-UHFFFAOYSA-N 439.418 2.345 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)c1 604354225 LIJWCMSIZOZXHL-UHFFFAOYSA-N 433.505 2.261 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H](Cc3ccncc3)C2)CC1 613178420 GWPOCGVRQWFDQG-IBGZPJMESA-N 446.511 2.414 30 10 IEEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 679494878 ZQWNBJVKFQSYFB-UHFFFAOYSA-N 437.381 2.230 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC1CCN(Cc2ccccc2Cl)CC1 732462075 FUCBIVSJUOQTQW-QZQOTICOSA-N 445.951 2.378 30 10 IEEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735344025 MHOZIANGMQQKIA-ZDUSSCGKSA-N 438.889 2.258 30 10 IEEE C#CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 742213439 IOZUTLYAYPAJSA-LJQANCHMSA-N 443.573 2.058 30 10 IEEE CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 744841087 SYGHSJKCINJIKU-QFBILLFUSA-N 431.489 2.194 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3cccs3)cc2C1=O 753700452 UAOOWTFHHCSEBW-MAUKXSAKSA-N 426.494 2.495 30 10 IEEE Cc1nc2ccc(C=NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)cc2s1 754945920 VMLNGBWURKHHLU-UHFFFAOYSA-N 430.559 2.382 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)CC2)nc1 756700711 VJKFSGSMNFGWAC-MOPGFXCFSA-N 425.489 2.049 30 10 IEEE COc1ccc(C)cc1N1C[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1=O 760404027 MWRDAACQZRWZEY-INIZCTEOSA-N 433.530 2.277 30 10 IEEE CC(=O)Nc1cccc(-n2cnn(CN3CCN(c4cccc(C#N)n4)CC3)c2=S)c1 760552805 SIGYREPYKDOBTK-UHFFFAOYSA-N 434.529 2.408 30 10 IEEE C[C@@]1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCN1Cc1ccccc1 777899822 VIANZRLTQNCIMC-QHCPKHFHSA-N 440.569 2.286 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnc(C)s2)cc1 779746921 KOLOSWROBCSQOL-MRXNPFEDSA-N 446.602 2.355 30 10 IEEE COc1c(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)cnc2c1cnn2C 784896104 IJTCFOBZZNFEMD-UHFFFAOYSA-N 434.496 2.408 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2c(F)cccc2Cl)cc1 785146631 YWPHMKVSJOPAIC-QGZVFWFLSA-N 439.848 2.462 30 10 IEEE COCCOc1ccccc1C=Nn1c(-c2cnn(C)n2)csc1=NC[C@H]1CCCO1 789968069 NQDMIKLZUSGUBG-QGZVFWFLSA-N 442.545 2.332 30 10 IEEE COc1ncc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1Cl 793176776 YDNNXOPVSUAABD-UHFFFAOYSA-N 430.667 2.496 30 10 IEEE C[C@H](C(=O)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1cnc(C#N)n1 798865228 RZDCRKTUMSATCD-SSDOTTSWSA-N 441.313 2.253 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(F)cc1 812914212 JUSLDOMJAHDWOQ-SFHVURJKSA-N 447.488 2.351 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)CC1 814678279 QQBFRLGYYLGDBJ-QHAWAJNXSA-N 447.624 2.258 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccoc3)[nH]n2)c(=O)n(-c2ccccc2)n1C 916958821 NQYKREQONSCEHQ-INIZCTEOSA-N 430.424 2.429 30 10 IEEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 920113989 WIEQYAHVZWYAKQ-KUHUBIRLSA-N 427.407 2.352 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cn1 1084345565 SUYADUJXDVDMPL-UHFFFAOYSA-N 440.489 2.135 30 10 IEEE C/N=C1/S/C(=C/c2ccc(OCC(=O)O)c(I)c2)C(=O)N1C 1084589163 KLCVBCQOJNVNHS-BTSHEXGNSA-N 432.239 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1 1133070279 SCRHCAWGKKOQSN-BBWFWOEESA-N 430.509 2.370 30 10 IEEE Cc1ccccc1-n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C(F)(F)F 1134429168 QKHRMUJUZCOGEB-SCLBCKFNSA-N 438.431 2.210 30 10 IEEE COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1141457150 OWVCOVCWEAYLPJ-NRFANRHFSA-N 430.457 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3nc(C#N)c(Cl)s3)CC2)CC1 1163759148 BBEFIPHSYIBNDK-UHFFFAOYSA-N 440.957 2.463 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](CCN2CCN(C(=O)CC#N)CC2)c2ccccc2)cc1 1170398956 GGHSARISBRSKTH-JOCHJYFZSA-N 440.569 2.463 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@@H]1CCC[C@@H]1C#N 1175250114 NJEUWZAFLAYYLJ-IFMALSPDSA-N 440.569 2.297 30 10 IEEE Cn1ccnc1[C@](O)(CCNc1nc(N)nc(C(F)(F)C(F)(F)F)n1)C(F)(F)F 1184840045 VIOTXEBKRHGAJP-SNVBAGLBSA-N 435.279 2.094 30 10 IEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cnc3c(Br)csc3c2)C1=O 1211667145 QWINMMYBWPRELL-GFCCVEGCSA-N 430.349 2.466 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 1228754386 NTOFWWVRZHQCMQ-NQIIRXRSSA-N 446.617 2.012 30 10 IEEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCc1ccc(SC)c(C#N)c1)C2 1255377757 SSZWOQQJVIRFFK-UHFFFAOYSA-N 430.555 2.456 30 10 IEEE C#CCN(C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 1264995530 JHBKYMQTVJZGSJ-AWEZNQCLSA-N 435.908 2.416 30 10 IEEE C#CCN(C(=O)c1cc(C)n(-c2ccccc2Br)n1)[C@H]1CCS(=O)(=O)C1 1264995692 PMNZUJJAEFWYCY-AWEZNQCLSA-N 436.331 2.206 30 10 IEEE Cn1ccc(N2CCC[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)n1 1265473345 OXGBDUURVYNYNQ-HOTGVXAUSA-N 432.525 2.009 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286320855 HXGFIUHURZYFOM-MRXNPFEDSA-N 441.561 2.327 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286347437 LPWWHWKYHZGYFR-SFTDATJTSA-N 442.608 2.456 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1286385210 WCXMKVWZUDTMPO-SFHVURJKSA-N 429.502 2.446 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1286389481 KWKATEYUWIDSBD-SFHVURJKSA-N 444.557 2.238 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)C(C)C)CC1 1286475189 ZAJUDLZAESDJJO-HSZRJFAPSA-N 427.549 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2([S@](C)=O)CCC2)CC1 1286494854 UJRDNSSBTHVYMK-HKBQPEDESA-N 445.633 2.278 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286577835 BQEIRBRTSBSWJI-IRXDYDNUSA-N 439.568 2.132 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1286805195 QTEXSBDHFUBLED-FUHWJXTLSA-N 436.507 2.411 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1287128582 GGCWNBJSOQCZIJ-VQTJNVASSA-N 449.559 2.226 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1290020974 DREXMOCQUFOYDU-QZQOTICOSA-N 446.529 2.106 30 10 IEEE CCOc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1290101902 AKHQPMJJGVYDCD-UHFFFAOYSA-N 431.489 2.484 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN(C(=O)C4CC4)CC3)C2)C1 1290542541 GGIWORBIRONBAN-WCCYLALTSA-N 430.549 2.290 30 10 IEEE CC(C)c1nc([C@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 1294301203 AHRLOARLEQWKFF-RHSMWYFYSA-N 431.518 2.485 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1298066518 DUSUUSBKFWYJBW-VQTJNVASSA-N 435.576 2.462 30 10 IEEE COc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)NC(C)(C)C 1300392785 KFCXKRUSNRKXDT-GOSISDBHSA-N 445.541 2.449 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 1300408537 AIPFPXLJLLIWSS-JKSUJKDBSA-N 437.591 2.283 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1300459814 XAAWOAKGPVOSSV-QGZVFWFLSA-N 429.546 2.037 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C1CC1 1300560733 ITKWVJVBKUMHGT-FQEVSTJZSA-N 426.542 2.237 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300767244 TYKYNZLHDVKOEI-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCC(C)C)CC1 1300881066 SWSQYTUGJALQQR-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1301954301 XITJPAFODZKATH-ZDUSSCGKSA-N 436.442 2.161 30 10 IEEE COCCOc1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1302131982 ZOHSOXXPJFFKJT-KRWDZBQOSA-N 448.531 2.037 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1302274780 GNJDNBPLYDEAKM-KRWDZBQOSA-N 430.484 2.261 30 10 IEEE CC1(N2CCC2)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1303026165 KSQKYLBCUZVTAK-UHFFFAOYSA-N 430.574 2.046 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1303047377 STGFQFAWRNFJNO-NSHDSACASA-N 428.860 2.471 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](O)c2cc(OC)ccc2OC)c1 1303384936 OZFATQPLXOLBOJ-BTYIYWSLSA-N 431.510 2.353 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1303395076 IYCUZUMEAHHZMB-OALUTQOASA-N 432.542 2.326 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CCCCCO 1304057717 AESLPZNXRVUGNP-OAHLLOKOSA-N 433.582 2.305 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NOCCOc3ccccc3)CC2)cc1 1305274038 AHWFKKZSPSASIR-UHFFFAOYSA-N 429.498 2.086 30 10 IEEE C=CCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@@H](Cc1ccccc1)C(=O)OCC 1307685147 SIDOZHXSTKVFDZ-NRFANRHFSA-N 430.545 2.451 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1314549778 SGBDCRJYKWBSMW-FQEVSTJZSA-N 445.524 2.198 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCn2ccnc2C)CC1 1315054609 HRHAYDWXQJBEOI-UHFFFAOYSA-N 447.547 2.264 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCO[C@@H]2CCOC2)cc1 1316531130 OBFGNFFJLGSGKE-LJQANCHMSA-N 446.502 2.399 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)F)C2)o1 1316531940 VORIUUQOHPDGPY-QWHCGFSZSA-N 425.461 2.175 30 10 IEEE CCOC(=O)[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1CCOCC1 1357978331 JYNTWSIUNLTSJR-SJORKVTESA-N 425.526 2.438 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1358930337 SUFDFJPQLBPVTM-FQEVSTJZSA-N 433.622 2.296 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cnn(CC(C)C)c2C)CC1 1359036800 JOPKDPMXAAADSP-UHFFFAOYSA-N 432.576 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1359065533 SZECIOPJQPSQNR-VWNXMTODSA-N 445.608 2.158 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1359098075 XBRGTUCNJBZVNS-MDKPJZGXSA-N 444.580 2.096 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1359277091 BNNGUUHXUBHXEX-IIBYNOLFSA-N 434.562 2.169 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359292220 KMAVPSRXKBRYOK-YESZJQIVSA-N 447.511 2.100 30 10 IEEE Cn1nc2c(c1C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CS(=O)(=O)CC2 1360597211 FMFSPIZVBGJNNY-UHFFFAOYSA-N 426.523 2.421 30 10 IEEE Cc1ccc([C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2C(C)(C)C)N2CCOCC2)o1 1361140415 AJKUNAQVVOPTLD-MSOLQXFVSA-N 428.537 2.279 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H](O)C1CCOCC1 1445711324 RHWBIBSQPVCNRR-WOJBJXKFSA-N 429.517 2.296 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 1452483421 COZFUSHDSRIKPV-DRMXPCRNSA-N 440.544 2.479 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCc4c(sc(N)c4C#N)C3)n(C)c2)C1 1456737390 XPHUUEDLIQHFDB-CYBMUJFWSA-N 447.586 2.160 30 10 IEEE COc1ccc(CN2CCN(C(=O)CN3CCO[C@H](c4ccc(C#N)cc4)C3)CC2)cc1 1460862157 UQGKHMLUTLEIPB-DEOSSOPVSA-N 434.540 2.285 30 10 IEEE C[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)C(=O)NCCc1ccccc1 1463708918 FURZYZADPWTVHO-ZDUSSCGKSA-N 436.331 2.346 30 10 IEEE C[C@H](CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1471308861 SHOGAEBQZXBYQY-OAHLLOKOSA-N 448.508 2.259 30 10 IEEE CC1CCN(CCn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1494085603 HSPJEYRMLPRDGX-GOSISDBHSA-N 428.512 2.457 30 10 IEEE CCOCCn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503211747 WIMJALBGYVMLBY-MRXNPFEDSA-N 438.561 2.344 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(F)(F)F)CCO1 1503772703 NWILHQWYEGSMCX-OAHLLOKOSA-N 436.438 2.356 30 10 IEEE CS[C@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1505206990 CIBLWLNNESJSED-BBRMVZONSA-N 438.579 2.123 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507622780 LUUZDELVFWNPRJ-KRWDZBQOSA-N 446.573 2.268 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507637255 IZFGNCHXZROYNQ-VQIMIIECSA-N 434.537 2.384 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCOC1 1507700728 UVQRHRLJBHWWDP-HSZRJFAPSA-N 443.523 2.127 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCN(CC)C2)n1 1507716726 MZIZTMOELNEDAW-LJQANCHMSA-N 427.597 2.400 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ncccc2C)CC1 1507721574 QOCSKJHJCJXBOZ-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C#CCSCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1507758714 RUFRVLODTZHYOZ-QGZVFWFLSA-N 448.511 2.190 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507806418 AHGGOENUPUTBGZ-HIUFNZKISA-N 433.597 2.343 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1507843913 YFORQIIVZGCHIR-KRWDZBQOSA-N 448.474 2.175 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(=O)NC)c2)C1 1508121964 HCMOYDJOUPRONC-WOJBJXKFSA-N 425.533 2.166 30 10 IEEE CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1514015560 AJWBEUKOJGPJDP-ILYIUGIZSA-N 435.532 2.415 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1515059621 BBESHHDEJMQBJO-NRFANRHFSA-N 430.484 2.321 30 10 IEEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1517447682 NTJHNEGTZKIBJG-LJQANCHMSA-N 440.548 2.426 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)c1 1518048771 CVBQFSXVJIRKFQ-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1ccc(OC)cc1 1519445936 ANKWGOODWWZFJF-TYPHKJRUSA-N 441.532 2.372 30 10 IEEE N#CC1CCN(c2nnc(-c3cnccn3)n2CCn2cc(Br)cn2)CC1 1521114487 FBLPCDQGPLMBET-UHFFFAOYSA-N 428.298 2.134 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1521758581 AMFIPTCMBLVCFN-MBSDFSHPSA-N 442.516 2.196 30 10 IEEE Cc1cc(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)nn1-c1cccc(C#N)c1 1529925377 WKBASUOURVIKKF-UHFFFAOYSA-N 432.459 2.253 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1532301648 MCYSJHZAFXDVJE-UHFFFAOYSA-N 449.573 2.300 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N(C)c3snc(C)c3C#N)cc2[N+](=O)[O-])CC1 1535447660 AYXXDNVYECRUTP-UHFFFAOYSA-N 428.474 2.177 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 1537772760 ARNGITZADLAXFE-UHFFFAOYSA-N 426.420 2.293 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1539086785 LWZVXHQVDIICEO-UWJYYQICSA-N 430.509 2.003 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539095542 GEQVFVHQLKERPH-ZBFHGGJFSA-N 445.365 2.422 30 10 IEEE C#CCCCn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1539141757 IEBWRFLFISUGRT-RTFZILSDSA-N 445.564 2.447 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C)cc2OCCOC)CC1 1539443947 BWFBFCYCZXQOTQ-UHFFFAOYSA-N 448.571 2.421 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1539497537 KQINFHIHWSNMST-SFHVURJKSA-N 429.546 2.044 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539603103 KWVKWLIHMJRJAF-AWEZNQCLSA-N 437.367 2.395 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1539643261 LUDYMONJYGSJMF-UYAOXDASSA-N 437.610 2.074 30 10 IEEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1540114231 JLULRTZYBMAAEU-JOCHJYFZSA-N 446.573 2.178 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCOCC1 1540195819 IXGQQLGDNSYWCE-UHFFFAOYSA-N 448.593 2.304 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1541605172 VQLYLVRAZOSDGJ-DEOSSOPVSA-N 437.592 2.458 30 10 IEEE COc1ccccc1[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1544404254 QORBHUNCTWBIGL-PZJWPPBQSA-N 448.479 2.372 30 10 IEEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCSCCCO)CCO2 1545150642 FBJHEKIZVRMXFY-JTSKRJEESA-N 443.573 2.317 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1547320094 FYZULZOGCAEUBF-SFHVURJKSA-N 426.521 2.070 30 10 IEEE C=CCOC[C@H](NC(=O)CCC(=O)c1ccc(I)cc1)C(=O)OC 1556375503 LDNKNURTSSYEGT-AWEZNQCLSA-N 445.253 2.115 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1nnc2c(=O)n(C)ccn12 1562929494 WICGXUHINSUMMV-UHFFFAOYSA-N 447.293 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cccc21 1585295835 HKAPJKCJVKUQDL-ZZEZOPTASA-N 426.473 2.240 30 10 IEEE COC(=O)c1ccn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1585625563 OIPYBAHFHSOBKJ-YUMQZZPRSA-N 435.271 2.299 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1587857277 XSTNJFIOJYZTKN-QGZVFWFLSA-N 438.532 2.127 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588211415 ZZDOORNBTFZXFA-FQEVSTJZSA-N 443.555 2.415 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCn1cc(C)cn1 1588581201 KJEVYKASDOKMSY-UHFFFAOYSA-N 446.353 2.337 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NC(C)C)CC1 1588741306 ALACKMYBKNJSCW-FQEVSTJZSA-N 438.576 2.315 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1588812237 QVJJUOBGQQDNRL-UXHICEINSA-N 439.560 2.403 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1593691159 SKTSFCOKNDILCU-QGZVFWFLSA-N 431.541 2.160 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1594568669 WUDQOTIYKXPIHC-RBUKOAKNSA-N 439.564 2.439 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1594819287 AQEVKRQNKULIIS-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1594820257 YKBGGYIHZFSPDJ-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1595737971 JTPRCICWJNHYKD-UHOSZYNNSA-N 433.578 2.467 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cnn(C)n2)C1 1595737985 KAGQLSHNLWRPJS-SFHVURJKSA-N 428.566 2.176 30 10 IEEE CC(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1603145281 GOZTZMDXMCRRAP-FCEWJHQRSA-N 444.561 2.059 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@]2(C#N)CC23CCCC3)C1 1611545467 CARBXKRWAOAZGY-FOIQADDNSA-N 425.551 2.001 30 10 IEEE CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613491831 NYKCLZCXGOWENL-UHFFFAOYSA-N 434.504 2.475 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(=O)C(C)C 1613549681 IPKGDSVEIIUWJN-UHFFFAOYSA-N 431.585 2.489 30 10 IEEE CC[C@H](C)[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)NCCN1CCOCC1 1614982523 LUZWSAOMEYZAJA-UGKGYDQZSA-N 440.588 2.349 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1615956131 BJISPTVGWKYXPJ-UHFFFAOYSA-N 430.516 2.306 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1618779129 HRJJJVJBQLUQEE-UHFFFAOYSA-N 440.548 2.386 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@@H]2C)cc1 1619228216 FAKMPFMESQYQLX-OALUTQOASA-N 426.565 2.388 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccccc1)N(C)C 1620111041 IOOLQLUIVIZULR-WOZUAGRISA-N 440.548 2.034 30 10 IEEE N#C[C@]12CN(CCC(=O)Nc3ccccc3C(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1620635530 QNFCITOXFMPICE-FDDCHVKYSA-N 437.521 2.116 30 10 IEEE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(C#CCO)c1 1625441911 QCBWYRYLNNKUKP-UHFFFAOYSA-N 445.498 2.216 30 10 IEEE CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1628085255 DXEJUGUXFJGCJO-FMQUCBEESA-N 444.488 2.445 30 10 IEEE N#Cc1cn(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c(=O)nc1O 1633549880 CPKHKIQTLOIHDH-NHCUHLMSSA-N 430.464 2.319 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1641231696 HBTXZTXTEPHKNC-UHFFFAOYSA-N 432.498 2.314 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ncsc3Br)CC2)cc1 1642226179 CJZQWTIIAPMPKX-UHFFFAOYSA-N 427.349 2.284 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1643765062 GDIQTRBFKQCZBK-IAGOWNOFSA-N 427.471 2.298 30 10 IEEE C#CCC1(O)CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CC1 1644429660 YOGKVHNCEQWUPZ-UHFFFAOYSA-N 431.537 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C[C@H](O)CC3(C#N)CC3)CC2)C1 1653407093 CXAFHFLGQFBALR-QGZVFWFLSA-N 430.553 2.263 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC[C@H](C#N)C1 1655541604 AFPANMHUYOMGPU-QGZVFWFLSA-N 433.578 2.101 30 10 IEEE CS(=O)(=O)[C@@H]1CN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C[C@H]1C(F)(F)F 1659409554 WVMZQFPYZFJBFD-XJKCOSOUSA-N 438.431 2.131 30 10 IEEE COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C(=O)OC 1660612809 XQTFORQLMRTTFB-WQVCFCJDSA-N 433.530 2.110 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1662651648 NTKBZMZJMHXIOJ-IAGOWNOFSA-N 448.463 2.240 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2c(C(=O)OCC)nc3c(Br)cccn23)CC1 1673022398 KBACVCIWDVIBJV-UHFFFAOYSA-N 435.278 2.266 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689980098 LOVCOQKYFKOCOK-MJGOQNOKSA-N 432.594 2.404 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689987823 CSAQDGDJXNDRNO-KRWDZBQOSA-N 441.557 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1C 1690043227 ULBHAVLQMUDLLL-UHFFFAOYSA-N 447.568 2.453 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1690410787 XLPOZSKRQLXIAE-MRXNPFEDSA-N 439.507 2.463 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1690515238 IHXAURNZQFEQOG-IAGOWNOFSA-N 448.593 2.046 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690663243 QOOLQKJLMCFKQI-IYBDPMFKSA-N 431.562 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)[C@H](C)C1 1690663350 UCWIDMGIACXGNO-QGZVFWFLSA-N 438.532 2.150 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC[C@H]1C 1690665774 OZILNBJFRLPXBZ-MRXNPFEDSA-N 429.521 2.270 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1F 1693546395 DUFMZVAUJMLPEA-HNNXBMFYSA-N 435.463 2.097 30 10 IEEE COCCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697965145 KDOVXYPBIMBEAA-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(F)cc1 1698171692 ZONMOQZGDGJCJA-OXQOHEQNSA-N 428.512 2.366 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705559653 AGNQEPMEWPWMNF-FGZHOGPDSA-N 441.601 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC(C)C 1705591830 JGNXNNOEHCMCTD-UHFFFAOYSA-N 445.365 2.424 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1705622615 NJASEQZSFAMBHB-WMZHIEFXSA-N 442.564 2.099 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705664017 VBELXKQRKKFAGH-GOSISDBHSA-N 444.649 2.166 30 10 IEEE C#CCSCCn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705664906 FIRRTEBGROWENK-NRFANRHFSA-N 436.578 2.075 30 10 IEEE C[C@@H]1CSCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1708268975 AVJICHDNNGLTDS-FZFLATATSA-N 430.578 2.479 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1722294249 QQCKICODLTXFRH-NPMXOYFQSA-N 432.484 2.151 30 10 IEEE C#CCCCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@@]1(OCC)CCOC1 1722341161 UUVQPBYANJBVJR-HSZRJFAPSA-N 442.564 2.271 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722375769 PZQNQYKFRPLLQU-OALUTQOASA-N 435.507 2.265 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCCN1CCN(CC)CC1 1722396315 DYWCODUFCMDHGD-UHFFFAOYSA-N 436.579 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NC1CCCCC1 1722399898 UZEPHYGUXQFCCY-UHFFFAOYSA-N 443.555 2.428 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(CC)s1 1722459752 QFJACUAUYHDWOF-AWEZNQCLSA-N 439.632 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1722492070 PUVNDXJPNLOUCR-IEZWGBDMSA-N 449.577 2.212 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722590728 IOQOZMDBZGYZBU-DLBZAZTESA-N 425.599 2.150 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2OC)C1 1722709950 ZOBXCHITVYCZBM-SFHVURJKSA-N 441.532 2.361 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Br)n2CCn2cncn2)C1 1731179481 CLEWYQPYWVORII-QGZVFWFLSA-N 431.273 2.441 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740622372 BXWVWYKRUXFRLS-QGZVFWFLSA-N 428.562 2.188 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)CC1 1740694912 XOQHIDASJRQWBG-OFLPRAFFSA-N 438.498 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)C1 1740763801 QHGURBLLNXXSJO-GCJKJVERSA-N 425.533 2.391 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1740882839 ZUFQYAVZWXQKKF-QGZVFWFLSA-N 437.903 2.282 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740884737 LAHWPGCYHGBQCQ-UHFFFAOYSA-N 440.577 2.415 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740956981 XPBDWPNEBRSWNU-KRWDZBQOSA-N 444.967 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@H](C)C1 1740994416 NULMLBJWVQEMBW-GOSISDBHSA-N 448.589 2.288 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1748668278 IGUKYGPZHVPLCY-IXDOHACOSA-N 430.553 2.129 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748804515 IPNLCTPVVPBOSB-SJLPKXTDSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCOCCCO 1748831326 KZVYPQQYXDLLKE-UHFFFAOYSA-N 435.297 2.319 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1749193763 PJUAHTFBSYQJJB-NRFANRHFSA-N 438.576 2.187 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749219845 UWRXYJHVCWWRCX-QFBILLFUSA-N 441.532 2.270 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cc[nH]n1 1749547521 RGUCJTDCRLTXEQ-UHFFFAOYSA-N 449.494 2.163 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760249861 BFELVZSVGPETGS-OFNKIYASSA-N 428.508 2.432 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760277589 PQIDQLDCIFTMCG-QFIPXVFZSA-N 441.557 2.045 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760282903 VCJSXMIAPXUVCE-OAQYLSRUSA-N 432.594 2.048 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1760847123 PCZZRGRYIDVZTE-PGRDOPGGSA-N 442.495 2.395 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCC2)C1 1761544351 BHBRBCVPYAXYOM-FQEVSTJZSA-N 428.562 2.361 30 10 IEEE CC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765122621 HNUWOUGTXKPYRU-BFQBXFRASA-N 435.532 2.417 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CCO1 1770941107 SWAQILJVGPKYET-SFTDATJTSA-N 441.532 2.254 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCn1cncn1 1771178869 IVCNOFMNSDVTKH-GOSISDBHSA-N 448.531 2.459 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCCN2CCOCC2)CCO1 1771535890 BZTREVQGQFJVJI-LJQANCHMSA-N 430.940 2.440 30 10 IEEE C=CCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1nnc(C)s1 1772737480 LPQPOHIPQHGXDO-LITYCJKTSA-N 441.494 2.438 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c(Br)n1 1853039802 DCUUSKPGCPEWFZ-JTQLQIEISA-N 429.230 2.436 30 10 IEEE C=CCN([C@H]1CCN(C(=O)c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1CCN(C)C1=O 1854176388 WUIGRZOGQZXPQW-CVEARBPZSA-N 425.407 2.045 30 10 IEEE CCOC(=O)c1sc(C2=C(N)N(c3cc(OC)c(OC)c(OC)c3)CC2=O)nc1C 1872796150 NQPAEWZAEOGJDF-UHFFFAOYSA-N 433.486 2.371 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)CC1 1890180032 RSBYOHCYVADNTC-UHFFFAOYSA-N 428.533 2.165 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1993686972 QNGNRZXHOBHTDX-XHSDSOJGSA-N 427.542 2.190 30 10 IEEE COCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCCC2)SC1=S 2053511928 OTOAWCVUHAEFEH-UHFFFAOYSA-N 432.571 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060624476 YKKGOBXYADYRRK-YGPDAJCISA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2062947457 ZJDRWSYOGWTRCF-UKRRQHHQSA-N 432.330 2.408 30 10 IEEE C#CCn1ncc(N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106029821 HCHFHUDXMSZDEC-GFCCVEGCSA-N 443.367 2.403 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(F)(F)F 2255862380 HQVWTNGTIXBHBH-CYBMUJFWSA-N 447.263 2.499 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2257635367 FRFWZOJXFWJJFE-CQSZACIVSA-N 439.337 2.232 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267009197 KEZLHBWIBSEXQR-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267136640 HBADOSYDXUSACX-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267155485 UUPQDFCPQWXPMG-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE CO[C@@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)COCc1ccccc1 2267189000 UJMFCZPMUPDXCN-QHCPKHFHSA-N 443.353 2.071 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267510105 GFCPIFNGEBUXTL-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267552935 WOZOJXWMJGPCNA-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)COC1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268712053 PPEGYNJXZMINPF-HNNXBMFYSA-N 446.353 2.457 30 10 IEEE O=C(O)CCCNC(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2297475401 GNDVNOHAIYLOQR-UHFFFAOYSA-N 425.393 2.391 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2312854980 KHEVOXXJLIQASG-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@@H]2CN(C)C[C@@H]2NC(=O)OC(C)(C)C)n1 2315404227 SFWOLXGBXMHAAO-DLBZAZTESA-N 433.358 2.275 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(N)=O 2317348139 IYUSTYGOGABXQT-NKSUMMKUSA-N 433.314 2.484 30 10 IEEE COc1ccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1 2326736219 PGWKSTPANGDSHH-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccccc2C(=O)O)CC1=O 2327889369 RQIURDCPQQKMHF-OAHLLOKOSA-N 445.545 2.447 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 2337304834 YCDWJSBNSPUUEL-DEOSSOPVSA-N 438.381 2.361 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)cc(OC)c1 58996853 SMCOXLQGHQOAMJ-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE CCN1CCN(C2=C(c3ccc(NC(C)=O)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)CC1 170052788 SGDBNPQXNWKCQO-UHFFFAOYSA-N 443.507 2.439 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254735366 YZWCKPQXDRTWHX-MAUKXSAKSA-N 430.507 2.259 30 10 IEEE CC(C)c1nnc2n1CCN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)[C@H]2C 439269031 DNKVXTQGPSLDCW-DLBZAZTESA-N 427.578 2.249 30 10 IEEE COc1cccc(Cn2nccc2NC(=O)C(=O)NCC2CCC(C#N)CC2)c1OC 443327160 FMSRALSTKFEICT-UHFFFAOYSA-N 425.489 2.333 30 10 IEEE C=CCNC(=O)CN1CCN([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 463470220 PKJHDOXSHPXXAA-IBGZPJMESA-N 449.393 2.173 30 10 IEEE COc1cccc(OCCN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 503697706 BQMFPVQHKDNWJR-QHCPKHFHSA-N 431.533 2.480 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508814003 RQADJRJODSLGTK-SFHVURJKSA-N 435.488 2.102 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 510133297 JULQENLTANBZBG-QZTJIDSGSA-N 425.489 2.098 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)cc1 533294565 GLBFXJISDLIYPR-QGZVFWFLSA-N 444.557 2.279 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 533377177 CFGJTNSMWXZBPE-FQEVSTJZSA-N 425.577 2.198 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 539354649 WWFLHTAPGRJKFO-UHFFFAOYSA-N 437.548 2.219 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)CO)c1 549090293 VEPAQOSEGPKKDV-FQEVSTJZSA-N 438.933 2.194 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCN3CCN(Cc4ccccc4)CC3)cc2C1=O 553296886 UUMJSGPANFSPPG-UHFFFAOYSA-N 446.551 2.358 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 568330865 CJIVOQUVDMGREN-GOSISDBHSA-N 430.505 2.183 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 582515241 GPOMMJUNKQXQGT-KRWDZBQOSA-N 426.912 2.481 30 10 IEEE C#CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 729331272 APSOXMFHOCLMND-OAHLLOKOSA-N 428.539 2.112 30 10 IEEE C#CCN(C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3)[C@H]1CCS(=O)(=O)C1 729332751 WQRPUBPYFSAKBN-KBPBESRZSA-N 447.582 2.103 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CCN1C1CC1 732706819 RPKDAIBRZSGTDM-NSHDSACASA-N 430.358 2.027 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)c1 733078054 SANPTOOPKPTPLU-XXBNENTESA-N 442.585 2.094 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3nccn3Cc3ccccc3)cc2)CC1 734096840 YWDURUIQWHDIDP-UHFFFAOYSA-N 438.557 2.314 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CC1 735870446 YHLGMEVWQIIGCJ-UHFFFAOYSA-N 436.512 2.495 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ncc(Cl)cc1Cl 741340775 HEEGVMXURMRRFY-OHTIZWCHSA-N 427.244 2.175 30 10 IEEE Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCOC1 751653742 IHHRPPMJKVUNSM-PBHICJAKSA-N 438.981 2.437 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 756932469 ASVIESOUSFJQGH-DLBZAZTESA-N 433.516 2.456 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(C3CCC3)s2)c1=O 760377927 MWZBTVVRPOGBOO-UHFFFAOYSA-N 429.567 2.152 30 10 IEEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763723031 NFFYLVTWBHGDAJ-IBGZPJMESA-N 434.456 2.409 30 10 IEEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 775986282 AMHQWKNSQPIZJO-ZFFANLAPSA-N 449.577 2.397 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N1[C@@H]1CCOC1 782977854 CVDMPRULBRFJRE-OCCSQVGLSA-N 426.420 2.347 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786682776 IVWDSRRHVWEOBP-KRWDZBQOSA-N 437.587 2.312 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 790567174 RPUUURJDWFTIGD-JPYJTQIMSA-N 434.581 2.273 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 790843241 SGRSCWGCVQFVAP-ULQDDVLXSA-N 438.546 2.223 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cnn(C)n2)C1=O 807928191 IKPPFMNXAYYLFB-CYBMUJFWSA-N 426.424 2.102 30 10 IEEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1ccc(Cl)cc1 812350794 BAKPHDCCGXDIQG-QGZVFWFLSA-N 432.885 2.235 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837506416 RQDCNFQSYIYUJT-UHFFFAOYSA-N 441.516 2.286 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 915099592 YYMFTOOLKVLEHE-OAHLLOKOSA-N 444.538 2.365 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCNC3=O)cc2)cc1C(F)(F)F 916779450 CUWBLZAELRKKOA-UHFFFAOYSA-N 438.387 2.225 30 10 IEEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)NCc1ccco1 1084066320 ZBQAZKFOTGDETK-UHFFFAOYSA-N 437.485 2.298 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1116374010 QHEBHIUTUYYPJE-UHFFFAOYSA-N 444.528 2.356 30 10 IEEE Cc1cc2nc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc(Cl)n2n1 1131222701 HQCDEVYTAYWGEA-CQSZACIVSA-N 437.847 2.407 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C3(C)OCCO3)cc2)ccc1F 1132018938 LQKJJGANWQAZBO-UHFFFAOYSA-N 434.489 2.440 30 10 IEEE COC(=O)c1ccc2c(n1)CN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CC2 1135030911 FVYHRNVFALYBGV-OAHLLOKOSA-N 438.871 2.331 30 10 IEEE CN1C[C@@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1139926066 CHSSQHJVGIPCEC-IBGZPJMESA-N 442.516 2.006 30 10 IEEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 1148405763 DRWYJAAENUXUDJ-UHFFFAOYSA-N 432.586 2.372 30 10 IEEE Cn1cnc(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1Br 1157332320 LHEZKZSBJWKWDY-UHFFFAOYSA-N 439.335 2.233 30 10 IEEE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1178460413 JACHTZWUZCRGSM-PMACEKPBSA-N 434.479 2.274 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2OC)cc1 1266224015 BFSQJJRWGPQZON-HOTGVXAUSA-N 448.501 2.214 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286343098 UHOPCPXEAVSOHJ-SFHVURJKSA-N 441.532 2.084 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1286390131 XRCBLLRAPYHOHJ-HXUWFJFHSA-N 442.585 2.448 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286394305 NTGRGPBPPIBSCC-WOJBJXKFSA-N 433.622 2.264 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(F)c2)CC1 1286408558 DAAMIJIAPLKENZ-QGZVFWFLSA-N 426.517 2.124 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCN(CC)CC1 1286428525 NDBNHWGLFOORCZ-UHFFFAOYSA-N 436.579 2.499 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCN(CC)CC1 1286440239 QVEKFJFTBOTITR-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCn1cncn1 1286461581 UHJRZSCLKKSTCE-UHFFFAOYSA-N 433.495 2.210 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1286462715 SNEFSJUKFGWZEN-KRWDZBQOSA-N 435.532 2.022 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286712549 CAKVCWCTDODOHE-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)nc2)C1 1286811607 FWXPUODXDZIWJO-HXUWFJFHSA-N 433.516 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC2(CCCCCC2)C1 1286818951 UPHFPUPEUCLUGK-UHFFFAOYSA-N 446.577 2.266 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1289973239 IBMVWKOPNLHFQC-UHFFFAOYSA-N 428.514 2.237 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CC(F)(F)F)CC2)c1C#N 1290576588 GGDCCCMZNVISIK-UHFFFAOYSA-N 445.453 2.066 30 10 IEEE CCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1297567278 NACKPESDJZEVOB-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1298790641 PWNZTEOXFIDVFR-NQIIRXRSSA-N 429.546 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCCC1 1300286228 GKAIDUJUDGJMHQ-GOSISDBHSA-N 447.547 2.171 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1300308153 MXIIIYNEXCVVKV-OTWHNJEPSA-N 445.589 2.458 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C(C)C)N1CCOCC1 1300465447 NGSLALHLAXHREQ-WIYYLYMNSA-N 425.533 2.217 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1300501297 IXSYJDMONVJDQR-HXUWFJFHSA-N 440.569 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1-c1cnn(C)c1 1300664841 VBXFKGMJLFZOGA-UHFFFAOYSA-N 430.516 2.213 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1300798061 JICFTLRNSACIRI-LJQANCHMSA-N 435.406 2.344 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301033580 GQXWRMZSYLRNKB-UHFFFAOYSA-N 426.974 2.286 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cc[nH]n1 1301346702 IYAINRGVECRIQK-UHFFFAOYSA-N 431.504 2.024 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1301531351 JYYXKMMBBZTVBV-IBGZPJMESA-N 449.577 2.070 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(C)cc2)C1 1301557903 RVTPZGILJVIQTO-QUCCMNQESA-N 446.573 2.349 30 10 IEEE C#CCC1(NCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CCOCC1 1308089021 OCRXIILOJHNECD-UHFFFAOYSA-N 436.350 2.317 30 10 IEEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C1CCOCC1 1313001197 ZSTIEVGJLBNUJT-HXUWFJFHSA-N 444.511 2.139 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1315962036 CEYVLKOMGOIKCG-MZKRTTBSSA-N 425.533 2.467 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cn4ccccc4=O)cc3)CC2=O)cc1 1318155259 CWOXSGPEWNSTFP-NRFANRHFSA-N 426.476 2.438 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CC1(N2CCOCC2)CC(OCC)C1 1358944995 QCZBBBIFXBQHTN-UHFFFAOYSA-N 439.560 2.293 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C1CC1 1358949741 LOVKQLLNIAPYNN-FUHWJXTLSA-N 432.569 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnn(C)n1 1358986684 DHGWOOIADXRWBA-UHFFFAOYSA-N 439.527 2.387 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(OC)nc2OC)CC1 1359036986 PSCINQXDQJJILZ-UHFFFAOYSA-N 446.555 2.393 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1360475479 AZSSOTNHNLTVNI-CVEARBPZSA-N 434.541 2.204 30 10 IEEE Cc1ccccc1CN1CCO[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1454916726 FENUTYNWUNHEIV-JOCHJYFZSA-N 430.512 2.265 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1460865914 JRQRNVDEOQTNJW-OAQYLSRUSA-N 441.594 2.359 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)c(Cl)n1 1461310501 OSGGFYQPUAINAS-UHFFFAOYSA-N 434.905 2.442 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)C1 1472246694 OTBOZCZMCGNKAI-OFNKIYASSA-N 434.492 2.395 30 10 IEEE N#Cc1c(CCCNC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)nn(-c2ccccc2)c1N 1472486083 APNJCNPQTDOQKN-PXNSSMCTSA-N 439.516 2.076 30 10 IEEE Cc1c(-c2ccccc2)sc(NC(=O)Cn2cc(C#N)nn2)c1C(=O)N1CCOCC1 1473038608 IFSBWPSPTLPYOI-UHFFFAOYSA-N 436.497 2.298 30 10 IEEE C#C[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1478893761 NDKSFHZXNYLDCF-INIZCTEOSA-N 434.449 2.028 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)n1 1492735704 GGGUKWQDTSZFMH-UHFFFAOYSA-N 441.561 2.083 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1495883061 VPJGKWACDAQRCB-AZUAARDMSA-N 438.580 2.106 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1503705834 KUCAYVWTPPASPF-KRWDZBQOSA-N 440.548 2.221 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@H]2C)c1 1504115125 BCKXOWGVIFAFFU-IAGOWNOFSA-N 428.537 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F 1507654451 GNMPKFLNHOHADQ-UHFFFAOYSA-N 433.434 2.225 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)[C@H](C)CC)CC1 1507723679 QKVWGEPSXXQCFK-MZNJEOGPSA-N 449.559 2.146 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1507756542 ZTYXQPKDGNLWGH-GCJKJVERSA-N 425.558 2.348 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1507772259 IKBNMKWDOJCJFN-NPPFBWRTSA-N 449.621 2.429 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1COCCO1 1507817311 PGZCRFPHGICDBO-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1507820900 PHWQZKBBXJSMHR-MOPGFXCFSA-N 439.626 2.084 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1)c1ccccc1 1507850744 ADWOYUWPTQHQQF-ZWOKBUDYSA-N 445.589 2.417 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1508032336 DMCWMOGMOAHNPT-ZWKOTPCHSA-N 434.562 2.435 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1517455767 KWVCLXTZISOKHG-NSHDSACASA-N 446.309 2.367 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCC(=O)N(C)C 1519152622 SEVLOQACCZSZAX-LJQANCHMSA-N 426.521 2.133 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)CC2(Br)Br)n1 1531363731 KGRMRVFGGKBILC-AWEZNQCLSA-N 433.144 2.387 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)c1OC 1537845661 ZJVBYBGZQLYRBJ-CQSZACIVSA-N 446.366 2.431 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1539089768 QVBCGJYBXRIKOG-GOSISDBHSA-N 437.548 2.472 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539097491 OMJMZLUOLQGPLT-SFHVURJKSA-N 433.459 2.301 30 10 IEEE C#CCCCn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1[C@]1(OCC)CCOC1 1539139572 FOFHJTRTUHDEOW-NRFANRHFSA-N 443.508 2.290 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 1539179991 UZMKZWUVHYPAIE-OAHLLOKOSA-N 442.463 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1539288311 DOOPJEDJJZGZJW-UHFFFAOYSA-N 434.500 2.326 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1539721882 INQKNNPMXJVGDL-HSZRJFAPSA-N 443.523 2.344 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540039846 HYQQTKHZYRNZNO-HSZRJFAPSA-N 436.516 2.038 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCSC1 1540052024 UXHURWNBMUVJGM-IBGZPJMESA-N 436.607 2.037 30 10 IEEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)n1 1540522954 ORSSQPRJGDZBOP-UHFFFAOYSA-N 439.520 2.027 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1540550436 PUOIWJJCOFBELF-RTBURBONSA-N 434.512 2.464 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)NCCNc3ccc(C#N)cn3)CCC2)C1 1540780183 RZKAXZCMYMVKFZ-QHCPKHFHSA-N 443.548 2.414 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1540870281 JDSZPWNUEZTZKU-UHFFFAOYSA-N 431.928 2.339 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1540912850 JSGPICBEMNKIQW-UHFFFAOYSA-N 438.623 2.443 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1541233176 FREPKULAKUGIIO-AMBJDXJFSA-N 440.573 2.079 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C\CN2CCOCC2)cc1 1542161421 BNXGYPCHCGAETI-NOHXFVHCSA-N 434.562 2.107 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1)c1cc[nH]n1 1543783425 FOXZLYQWDSZLDB-OAHLLOKOSA-N 430.461 2.198 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1544465046 LPFVCOKKUAHWHF-LJQANCHMSA-N 428.537 2.265 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O 1545251153 BNQVWYVWUDEJGA-KKSFZXQISA-N 433.578 2.485 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1545494650 GMTOYTDBROHODF-VXHFXFQXSA-N 438.536 2.393 30 10 IEEE CCN1CCN(CCCCn2c(C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1547729307 ZAFVGPLVAUFIAC-QHCPKHFHSA-N 437.592 2.454 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552417817 SGBZGFIKELAXKD-YTTGMZPUSA-N 447.524 2.120 30 10 IEEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1555725593 XRRDIBJTJKFWQL-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C#CCC1(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)CCC1 1560165708 SWMPIGJLVLKFOI-UHFFFAOYSA-N 432.590 2.401 30 10 IEEE COc1cc2nc(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)c(=O)n(C)c2cc1OC 1566352317 SXPNBQSBWWPFNG-UHFFFAOYSA-N 444.451 2.142 30 10 IEEE Cn1cc(CNc2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2)cn1 1568509086 YDJSZVUPGNCTJM-JOCHJYFZSA-N 428.496 2.435 30 10 IEEE C#CCN(CC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OC(C)(C)C 1583258605 IURJGBFIFUQOHZ-ROUUACIJSA-N 443.544 2.423 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)N(C(=O)OCc2ccccc2)C1 1583816802 MHBCPWSYPMGNOS-YPAWHYETSA-N 437.496 2.476 30 10 IEEE C=CCN1CCC(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1585285054 WJVJYXOHROTDJW-UHFFFAOYSA-N 433.350 2.287 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 1586817135 YQKJINGHRLXJKW-UHFFFAOYSA-N 434.539 2.423 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588045747 PWQXADKSNGEMJW-LJQANCHMSA-N 439.516 2.349 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1588133322 DDQILBNLYXWXLP-QHCPKHFHSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1588205565 PDOSZPUFAYJSHD-HOYKHHGWSA-N 438.528 2.355 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1594498058 PPOYNUWQEODLKH-GOSISDBHSA-N 448.593 2.245 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1594803605 ZEZRYZKOGRRTDU-PZJWPPBQSA-N 426.565 2.480 30 10 IEEE CN(C)[C@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)COc2ccccc2C1 1595349701 JOUAGBPARKNQED-VWLOTQADSA-N 444.539 2.310 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595500739 DKZYOBMSFOFUDW-JOCHJYFZSA-N 425.464 2.386 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595500745 DMXVICRPBWVUFY-SBUREZEXSA-N 425.533 2.194 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595659463 ZFDVJXBVQSUBKK-WZONZLPQSA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncccc2N(C)C)C1 1595680082 FZTRCIZYPFQXFT-JPYJTQIMSA-N 442.564 2.221 30 10 IEEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)CCCO1 1611801447 FRMXIQAYENFQFH-NRFANRHFSA-N 429.546 2.399 30 10 IEEE COCCCNC(=O)[C@H](C)N1CCN(c2ccc(C#N)c(Br)c2F)CC1 1611948475 ZEZSDJMTBQUOEP-ZDUSSCGKSA-N 427.318 2.123 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CCOC1 1616140425 JTJXUMSALQGFES-RPHTVSPISA-N 433.553 2.254 30 10 IEEE CC(C)(C)OC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 1617271715 HWYOJGZCUSBBRT-GOSISDBHSA-N 447.488 2.063 30 10 IEEE COC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CCO1 1619753858 UOGIUCUJCRJIGQ-NRFANRHFSA-N 437.500 2.436 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1COCCO1 1619899697 FRBRQMFFZHWLPV-LEWJYISDSA-N 441.532 2.460 30 10 IEEE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1620312554 UBZGTVRPRPKUAH-AZUAARDMSA-N 428.464 2.023 30 10 IEEE C#CC[C@H](CO)NC(=O)c1c(I)ccc(Br)c1F 1625387998 SDCJRQXIQMSWHT-SSDOTTSWSA-N 426.023 2.307 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1626681851 RPJHPGYAHQNFRQ-CYBMUJFWSA-N 443.312 2.256 30 10 IEEE N#CCN1CCN(C(=O)c2csc(I)c2Br)CC1 1628350897 QQBOGMCPEWEVFA-UHFFFAOYSA-N 440.104 2.397 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)c1 1629690063 MMQKGIJHQSBVSA-FQEVSTJZSA-N 439.581 2.424 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H](C(N)=O)Cc4ccccc43)C2)C1 1632452705 BBCMWWSCBPEYPQ-GJJDNQDUSA-N 438.528 2.464 30 10 IEEE COc1ccc(N2CC[C@@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 1638653168 LHDVEPIVHDAXIZ-IBGZPJMESA-N 427.526 2.124 30 10 IEEE C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1639274154 GSOMQZDHNLHTAZ-CQSZACIVSA-N 448.495 2.131 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640198910 AHHOFZJOANENOP-FGTMMUONSA-N 440.500 2.390 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)Cc2ccccc21 1641293673 CMHWJIXWLRCZJB-QBEKEKFNSA-N 425.485 2.371 30 10 IEEE CCOC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1644103421 HBAWPBLBWOAOSV-IBGZPJMESA-N 435.546 2.134 30 10 IEEE C=CC[C@@H]1CCN1C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1648409327 GCKOQNPQLMJNAS-CJNGLKHVSA-N 443.363 2.159 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NC1CCN(CC#N)CC1)Cc1ccccc1 1650789420 WKKCGAVSLSEVBS-UHFFFAOYSA-N 429.565 2.117 30 10 IEEE CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)C1 1652569004 MBHFWTOKEIQUKZ-UHFFFAOYSA-N 428.485 2.395 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nc12 1657608992 BSKIZVUMFQAHPT-UHFFFAOYSA-N 430.390 2.283 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCCn1cc(Br)ccc1=O 1673197518 WXPZGTKZTQIBRM-UHFFFAOYSA-N 433.306 2.341 30 10 IEEE CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1684112463 YSMALJQZCZIRDS-OAHLLOKOSA-N 446.305 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)O2)C1 1687097525 IUXGGMKWAUHCBL-OALUTQOASA-N 426.517 2.493 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689880163 SQZOEBHHLOAXJW-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)[C@H](C)CC 1690039721 QHLDCIQPSWIHHP-LJQANCHMSA-N 431.548 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1690140312 UIQGQIWMBODHMD-UHFFFAOYSA-N 439.479 2.296 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1690265353 NBDZHTJKZHMIRC-SFHVURJKSA-N 437.541 2.201 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690480167 BFWDYAJHZPFUHT-UHFFFAOYSA-N 440.596 2.169 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1690607088 BYSNFGIQSMGQAI-LJQANCHMSA-N 440.548 2.460 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)C1 1690700642 VQEJSIFFGWMWMP-AZUAARDMSA-N 445.589 2.076 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1690711673 GERMBNNKGQXLQL-OAQYLSRUSA-N 433.516 2.486 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCC(C)(C#N)CC2)CC1 1695867036 BQVPDLUXJKZNFR-PMACEKPBSA-N 447.628 2.158 30 10 IEEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CCN(C)CC1 1698357741 AGCLAXZICGTNGK-HXUWFJFHSA-N 433.626 2.374 30 10 IEEE CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)CCN(C)CC1 1698368195 GNCNXELUFSDLSC-HXUWFJFHSA-N 446.600 2.409 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(CCOC)c1 1705479069 FABJUKPHVMKSBP-CYBMUJFWSA-N 432.326 2.385 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccc(C(F)F)n1 1705485124 DRLLWZBJRBEIBA-ZDUSSCGKSA-N 436.430 2.155 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS1 1705623615 YJZSOWYLDHZUNY-QGZVFWFLSA-N 434.587 2.330 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705661988 MWFDOHUAXNGLOU-DLBZAZTESA-N 432.619 2.488 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1705818285 FMURNLWTJFMBDE-UHFFFAOYSA-N 437.504 2.031 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705898255 GTHPVRVVPVEHDN-SJLPKXTDSA-N 436.516 2.036 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@]1(OC(C)C)CCOC1 1705908028 FRXIGZLEOBPQMQ-QFIPXVFZSA-N 431.512 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1705933036 RXPGKQJCCJCLAZ-GOSISDBHSA-N 441.557 2.423 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C#N)o2)CC1 1708631104 FQRKAQCRWDRQLA-IAGOWNOFSA-N 427.553 2.341 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1710976604 AHBUOQAVLOYTJA-UHFFFAOYSA-N 444.543 2.407 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1712577923 KSUAWSOOSGROJB-IBGZPJMESA-N 434.500 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1722297438 GYSWRQIVXOJQHZ-FQEVSTJZSA-N 448.619 2.248 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722352800 ZMIWUIOQJCNJST-IBGZPJMESA-N 446.559 2.448 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1722370539 CGDFZFIAPFCOKJ-SFTDATJTSA-N 440.569 2.035 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCSC1 1722418075 DKQPZWQSAMWLIX-NRFANRHFSA-N 426.521 2.326 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722425252 SECVTKLYALGPPK-GOSISDBHSA-N 445.568 2.314 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc2c(c1)C(=O)NCC2 1722426087 XZEDZXJDMDZRGF-UHFFFAOYSA-N 435.553 2.351 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccsc2)CC1 1722440222 GFYAKRMVDOLNAE-UHFFFAOYSA-N 440.598 2.329 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1[C@@]1(OCC)CCOC1 1722463539 FTTVXXITBWTIIO-XMSQKQJNSA-N 443.573 2.349 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(O)c2)CC1 1722527326 GILPYJXIZQEGBD-UHFFFAOYSA-N 440.548 2.139 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722698354 DWNDBXHJMSSFOX-HKUYNNGSSA-N 429.496 2.191 30 10 IEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1723926806 CZYYPMMQZDVBGT-JQHSSLGASA-N 438.598 2.079 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1726401744 BPXAPCJCCQHMEN-UHFFFAOYSA-N 441.555 2.159 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 1727800240 GFFHGLPGIDHYSF-XLIONFOSSA-N 438.532 2.069 30 10 IEEE CO[C@@H](Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C)C1CC1 1729903784 FINQMFATHVVSFV-SFHVURJKSA-N 426.569 2.241 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1729994862 BRUZIYNHARFMJH-GOSISDBHSA-N 431.863 2.126 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN2CCC[C@H]2C)c1 1740564646 SWVFDFSPIBJWIY-QUCCMNQESA-N 436.560 2.323 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740578774 DVWDCSLIHMNFOW-SJLPKXTDSA-N 430.480 2.160 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1740589019 MPSOWLCWEDOEES-QGZVFWFLSA-N 447.543 2.145 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnnn1C 1740670923 XDLYJRSGWDJKNW-UHFFFAOYSA-N 428.541 2.029 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1740941500 MOBQSEUHTQMADQ-RBUKOAKNSA-N 445.589 2.334 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1741196317 NJDAFWMDMRKNHP-LJQANCHMSA-N 427.597 2.350 30 10 IEEE Cc1nc(-c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)C[C@@H](C)C#N)cc2)n[nH]1 1742557539 INRZALICIIJMMW-HNNXBMFYSA-N 433.520 2.252 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOC2CCCCCC2)CCOC1 1746732922 CKCZTBCEOKMSPU-KNQAVFIVSA-N 433.553 2.398 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1748303598 JZQHAXBQYTYACW-XMSQKQJNSA-N 425.489 2.012 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1748669307 WOTZJQNNBRBSSY-IAGOWNOFSA-N 432.569 2.329 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1748790075 FHCGBZRDBFOYFY-OAQYLSRUSA-N 441.601 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC2(C1)OCCO2 1748875928 ZIVPRYWTIIANMR-SFHVURJKSA-N 427.549 2.203 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1748940349 IFHKMLAZPTYNAY-VWKPWSFCSA-N 435.594 2.376 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccsc1Br 1748960892 QJSQYPZMFARFLN-ZDUSSCGKSA-N 438.351 2.188 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749266072 CQLUGHHASPKYGA-SOLBZPMBSA-N 436.988 2.307 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2(OCCOC)CCOCC2)CC1 1749336462 LBLILGXKIKPVIE-UHFFFAOYSA-N 430.553 2.293 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O 1749474133 WIDKPHGEZDYODW-UHFFFAOYSA-N 434.385 2.331 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749677647 GSHNTBBXQMWSOP-VQTJNVASSA-N 438.576 2.449 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 1749686238 RJRSBKWRSRYNQK-NRFANRHFSA-N 438.576 2.196 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1750052101 CZZVQZDJDPUCLT-FQEVSTJZSA-N 441.532 2.276 30 10 IEEE CC(C)(C)c1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750442088 QHUMRLAEXCQYSC-VXPUYCOJSA-N 442.564 2.497 30 10 IEEE CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1750798034 LEACZHOYYQJERA-IAGOWNOFSA-N 434.541 2.361 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760160246 BXJSKKOUCRRIJV-KRWDZBQOSA-N 444.580 2.473 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1760188116 HXANJAPQQPWUKH-RDJZCZTQSA-N 432.521 2.389 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)CC1 1760325055 NVSJKKMJYSOOQM-GCJKJVERSA-N 425.533 2.185 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1760379436 UAPUKUOHMOHAFN-UHFFFAOYSA-N 434.888 2.099 30 10 IEEE C=C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1760388334 MRQYKKGQKMUUFB-UHFFFAOYSA-N 440.529 2.374 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760433732 VMILXECZQFLELQ-CQSZACIVSA-N 434.522 2.325 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1770220851 ODCHJHGBHZMECI-FCMAGTKHSA-N 446.596 2.099 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1(C)C 1770659423 VIRWMVYTBRAOQG-SFHVURJKSA-N 447.561 2.025 30 10 IEEE Cc1c(C(=O)N2CCN(CCC#N)CC2)cnn1-c1cc(-c2nc(C(C)C)no2)ccn1 1848513575 DCYJLUCFYAJHCN-UHFFFAOYSA-N 434.504 2.421 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2[nH]nc(C(F)(F)F)c2Br)CC1 1851145074 UWQOQPNGMTWXKE-UHFFFAOYSA-N 429.200 2.420 30 10 IEEE COc1cccc2c1C[C@@H](C(=O)Nc1nc(N3CCN(C)CC3)c(C#N)cc1C#N)CC2 1853138942 HULYEJZKGARNJN-KRWDZBQOSA-N 430.512 2.329 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2=O)CC1 1857387072 BMONKOKUOFSIMM-LPHOPBHVSA-N 428.920 2.446 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3nc4cccnc4n3C)sc2c1 1866170660 GQJABOKRFVGVRZ-UHFFFAOYSA-N 428.499 2.295 30 10 IEEE COc1ccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3cccc(C#N)c3)c(C)o2)cc1 1866675822 OORBQCUCXLTPRI-HXUWFJFHSA-N 434.452 2.189 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCCOCC 1870543654 TZSRMYZTQPCWRF-NRFANRHFSA-N 447.576 2.123 30 10 IEEE C#CCOc1cn(CCOCCO)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1871007771 RKCWACQJAKIJDC-UHFFFAOYSA-N 426.391 2.380 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(N(C)C)cc1 1874434979 HRLVZLZZONELKQ-LSHDLFTRSA-N 432.550 2.154 30 10 IEEE COc1cc(/C=N/n2c(S)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc([N+](=O)[O-])c1O 1874565941 CWONPYCHYWQXMY-YTTILGKYSA-N 434.478 2.186 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(NCCCN3CCOCC3)ncnc2n1CCOC 1875226065 PPRVENJFJVJIGG-UHFFFAOYSA-N 442.564 2.026 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)CC1 1890180007 RCCONXMRADIEJZ-UHFFFAOYSA-N 428.533 2.165 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN2CCCC2)c1C 1890684018 IAXGXFVZFKRGSU-OAQYLSRUSA-N 431.602 2.289 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625116 HBPAZTGDTMYERW-UKRRQHHQSA-N 432.330 2.217 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)CC1 2060635196 JIHFWAUODGUOCI-UHFFFAOYSA-N 437.390 2.480 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@H]12 2224079395 INZQTBBUGABRIY-BRWVUGGUSA-N 431.342 2.109 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224122049 UZUDZULPUZVBIH-DLBZAZTESA-N 433.358 2.309 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 2247538663 OIEQHLNIARHZOV-JXORXQGFSA-N 432.521 2.265 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2248405201 SAURNMZWWOBHRQ-UHFFFAOYSA-N 437.371 2.458 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248442043 IKPJSAKGYKIEMQ-LLVKDONJSA-N 440.375 2.137 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255535412 VEMPTJNEAGKJFT-HNNXBMFYSA-N 429.326 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255626673 IVDMZJZBQDRDBT-KGLIPLIRSA-N 434.346 2.131 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256038649 IUTPETJOPLJFRL-UHFFFAOYSA-N 433.358 2.398 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256617703 LLLKJMQDCOJWBB-LRTDBIEQSA-N 449.382 2.316 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256622472 HRNFBUMRDWIKAZ-ZIAGYGMSSA-N 432.330 2.184 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267136637 HBADOSYDXUSACX-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267146552 ODTILGSKQLEUGD-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2267228974 RCUCWEVAULTKBV-ROUUACIJSA-N 446.353 2.004 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2267478577 ZSJLVPHTHQVSIB-IBGZPJMESA-N 432.333 2.231 30 10 IEEE CCc1nn(C)c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507060 ICNOIPAEVZFTMZ-VAWYXSNFSA-N 448.373 2.092 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2267599859 WSTSPVIJSKJTGR-UONOGXRCSA-N 438.255 2.282 30 10 IEEE CCOC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2268654171 VYHGNRNCOWCIAA-UHFFFAOYSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268663389 KTFJQAAZOMIYNW-CVEARBPZSA-N 447.341 2.249 30 10 IEEE C[C@@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268721409 KVOITHWXSMJZRY-QAPCUYQASA-N 448.369 2.439 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2272636493 LUNXVMARJLZSGU-NPMXOYFQSA-N 445.369 2.311 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2303304672 WICIPAVHIPGNLJ-FRYIKTPZSA-N 428.533 2.294 30 10 IEEE C=CC1(NS(=O)(=O)c2nc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2319618234 WFKYDRKMNKJBGS-UHFFFAOYSA-N 436.303 2.437 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1F 2330773057 MWBSCSJDDQCHFL-UHFFFAOYSA-N 432.525 2.477 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2337197000 RDONOAPDMLPUBO-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)nn1 2342480599 CUOBRBOWRRXCRA-OAQYLSRUSA-N 449.361 2.388 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCc1cccc(Cl)c1 20914642 DOMNLKCMJSDVOH-LSHDLFTRSA-N 431.909 2.205 30 10 IEEE N#CCCC(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 22022794 ASSJJJYSHGMDDF-UHFFFAOYSA-N 439.427 2.380 30 10 IEEE C=CCn1c(=O)/c(=C\c2c(OC)ccc3ccccc23)s/c1=C(/C#N)C(=O)N1CCCC1 96793318 WEYXYLIEWSWWQI-HMTDIPEDSA-N 445.544 2.383 30 10 IEEE C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@](O)([C@@H](OC(C)=O)[C@@H]4C(C)(C)C=CC5=O)[C@]3(C2)[C@@H]1OC(C)=O 169530353 VIZWMBLJPXPZSQ-QWRQMOSTSA-N 430.497 2.322 30 10 IEEE CCN1CCC[C@H]1C/N=C(/NCCc1ccccn1)[C@@H](C#N)C(=O)Nc1nccs1 225503955 CHMJCHDVOQOWDE-ZWKOTPCHSA-N 425.562 2.331 30 10 IEEE C=CCSc1nnc(NCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 257632022 IBPUVDJNYOIMJV-UHFFFAOYSA-N 440.572 2.132 30 10 IEEE C#CCn1ncc(NCC2(O)CCN(Cc3ccccc3)CC2)c(Br)c1=O 397602523 VHYZKQMCTIYHOR-UHFFFAOYSA-N 431.334 2.078 30 10 IEEE COc1ccc2c(c1)[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 431203925 RHGNFTFVAKTASG-IBGZPJMESA-N 425.510 2.130 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2noc(-c3ccc(F)cc3F)n2)CC1 444567629 AGSBLVMGINOUEM-UHFFFAOYSA-N 445.451 2.393 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1 445643180 UBXRNXSVWNJHLA-UHFFFAOYSA-N 439.472 2.234 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 446112306 OPWFKLJXTWZWNC-SFHVURJKSA-N 449.463 2.079 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OC)c2ccc(-c3ccccc3)cc2)C1=O 471686219 FFGVULCLTXPNQL-LJQANCHMSA-N 449.463 2.051 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1c1cncn1C 476686933 JTECKMNIKOVFNI-YLJYHZDGSA-N 432.488 2.201 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 498377032 TWGKWUOVXUGFRJ-HNNXBMFYSA-N 440.375 2.202 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N=c3nc(-c4ccsc4)[nH]s3)C2=O)cc1 504957543 OIMIZAJPPDOFBG-AWEZNQCLSA-N 438.494 2.404 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 507911014 YTUVFDVYTHUQHL-UHFFFAOYSA-N 449.554 2.415 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508956688 SGWBKPYEOMMXCK-NRFANRHFSA-N 436.560 2.275 30 10 IEEE CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 525412192 NKOYGUPFHNXIFN-UHFFFAOYSA-N 428.518 2.459 30 10 IEEE CCN(CC)CCCNC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1Cl 546256172 MKTIWYGMYMGWEG-CQSZACIVSA-N 431.928 2.465 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 559010019 VBLKDKXWJDVLSA-QFBILLFUSA-N 431.562 2.296 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(N3C[C@@H](OCC4CC4)C34CCOCC4)CC2)cc1 575316041 CCUURBYQVMVCNL-JOCHJYFZSA-N 445.585 2.371 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N[C@H](C)c3ccccc3)cc21 586314112 OVYREYJJDTYSBT-MKTHODDLSA-N 440.521 2.407 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)CC1 590064799 KWGCJHGPFYVWEX-OAHLLOKOSA-N 433.472 2.186 30 10 IEEE CCCS(=O)(=O)NC1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 603629918 FDPIANQHQSQCBX-KRWDZBQOSA-N 436.578 2.124 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)OC)C1=O 604569542 RWPGMIGKBVGVJX-UHFFFAOYSA-N 437.408 2.181 30 10 IEEE Cc1oc(NC(=O)[C@@H](C)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(C#N)c1C 613784868 MPWYMKRUYHEXCW-CQSZACIVSA-N 428.514 2.172 30 10 IEEE COC[C@@H](C)N=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1cnn(C)c1 727972354 RHWJQOXTRBVGQC-KGLIPLIRSA-N 440.529 2.487 30 10 IEEE C#CCN(C(=O)c1nn(CCCCCC)c(=O)c2ccccc12)[C@H]1CCS(=O)(=O)C1 729330607 GKGDEVOEOMXZDW-KRWDZBQOSA-N 429.542 2.239 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2cccc(Br)c2C1 735643525 YXDKDBDQYJRSJZ-UHFFFAOYSA-N 434.315 2.073 30 10 IEEE Cc1c(NC(=S)NN=Cc2cnc3ccc(C#N)cn23)c(=O)n(-c2ccccc2)n1C 736429627 YGOJQVDMFRXAFL-UHFFFAOYSA-N 430.497 2.324 30 10 IEEE COc1ccccc1[C@]1(C)C[C@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 741710816 AQOASYRVVMANOK-KNQAVFIVSA-N 427.526 2.360 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1-c1ccccc1C#N 742144096 UOWOZFIXGKXGBN-UHFFFAOYSA-N 434.427 2.441 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2)o1 756920085 NAMVGAVAJXKISX-DLBZAZTESA-N 441.488 2.414 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 756975450 RTSHGOJSJLJVJG-GOSISDBHSA-N 436.512 2.449 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 757211367 SVRHMMLVHRWTBB-DLBZAZTESA-N 443.552 2.358 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H]2CC23CCCC3)C1=O 757914821 IDIVQFBYZJHUGN-CVLKNJGFSA-N 443.617 2.325 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCCO3)c2=O)cn1 758099707 LVADXDSTUFPBGU-SFHVURJKSA-N 442.585 2.204 30 10 IEEE C#CCN(C(=O)c1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCS(=O)(=O)C1 764871655 VPTWYXWCCPCNIA-INIZCTEOSA-N 436.331 2.206 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1C 765541342 CALSGXDOBBBTCB-LJQANCHMSA-N 442.589 2.237 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCCO3)c2=O)c(C)o1 767952459 IFVSKFCOQJXWGX-LJQANCHMSA-N 449.532 2.440 30 10 IEEE C[C@H](CC(=O)N[C@H]1CCOC2(CCSCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 771298579 MRVOUQFWGKHUJJ-CABCVRRESA-N 437.587 2.065 30 10 IEEE Cc1c(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2nccn12 780314300 XMIUAEBSOGLVGC-INIZCTEOSA-N 438.469 2.284 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)c1 784123670 FPNYVIJBWJWFFA-ICSRJNTNSA-N 442.585 2.094 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@H](OC)C(F)(F)F)C1=O 786688681 PYUSNBFQVQNCEX-KBPBESRZSA-N 447.435 2.450 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)n1 788818521 PUNQENVZSCWNTL-UHFFFAOYSA-N 441.576 2.149 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cn(-c3ccccc3Br)nn2)n1 788819185 CPEKCRPFGJTCTE-UHFFFAOYSA-N 443.305 2.148 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790221045 DFZLMXFIGKWYCX-LAUBAEHRSA-N 441.594 2.359 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 800615887 ZDQCXKDJDPHWFD-UHFFFAOYSA-N 433.452 2.174 30 10 IEEE COCCn1c(CN2CCN(Cc3ccccc3Cl)CC2)nnc1N(C)C[C@H](C)C#N 802400814 AENQGZOKICVDMZ-GOSISDBHSA-N 445.999 2.492 30 10 IEEE CCNC(=O)C[C@H]1CCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 803645377 JANHQPXZMXWZPM-QGZVFWFLSA-N 448.589 2.193 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 803921578 DJBSUYNSNKDKSH-UHFFFAOYSA-N 434.420 2.453 30 10 IEEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2cccc(OCc3ccccc3C#N)c2)nn1 811181467 JAYXPOQUHNUMNN-NHCUHLMSSA-N 448.435 2.312 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1OC 914612592 FHHMEVUJUFGGMM-VURMDHGXSA-N 434.500 2.368 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2C1=O 917017431 SHKKKHOZXLCTMU-IBGZPJMESA-N 444.447 2.132 30 10 IEEE C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 918960716 ANLLGGPTWPYKEV-KRWDZBQOSA-N 435.480 2.290 30 10 IEEE CC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)s1 921280521 IRYWMXUETCXGII-RELWKKBWSA-N 434.543 2.449 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C2CC2)n1 1130965124 QGTGVOOXBCDTQI-UHFFFAOYSA-N 426.498 2.092 30 10 IEEE C#CC[C@H](COC)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1131718310 OWTXAPZCJFJOLE-MRXNPFEDSA-N 432.454 2.439 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)c2)C[C@@H](C)O1 1132643471 QVJRSXJOAOEVDK-WHSLLNHNSA-N 439.537 2.253 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CCO2)cc1 1134279198 QHROGENNUZKIRT-OAHLLOKOSA-N 425.388 2.460 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)[C@H](CO)C1CC1 1137843715 MRZCHQCEYHSDTP-HXUWFJFHSA-N 441.553 2.305 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3cc(Br)cnc3[nH]2)c1 1141330219 RBVVCFTWFPLIPV-UHFFFAOYSA-N 438.238 2.409 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1 1152372435 YWKHXWOSWHEAIB-RTBURBONSA-N 447.557 2.212 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(O)CCC2)c1 1286311525 NEICTYURZBUBHT-UHFFFAOYSA-N 430.512 2.235 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286323546 IIKDXPIKTRXPLN-NRFANRHFSA-N 431.544 2.227 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CCC1 1286376457 LGAPJAXAOLJYML-QGZVFWFLSA-N 428.558 2.380 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1c[nH]nc1C 1286401137 JZACQRUJYHUSHM-UHFFFAOYSA-N 436.541 2.086 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(=O)NCC)CCC1 1286404526 SENWBVGBPIVGMB-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1nnc2n1CCC2 1286405315 DGNKTARQSHCWIJ-UHFFFAOYSA-N 442.346 2.428 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cnc(C)s2)n1 1286472382 XJUNCOWHEQISPF-QGZVFWFLSA-N 441.561 2.078 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1286495315 YLZAGKNFSWLXPU-LEWJYISDSA-N 442.608 2.012 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1286515319 HAURVIVCBMWFEA-RPWUZVMVSA-N 437.544 2.264 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)OC)C1 1286552358 MBIXLXSZDXDHJC-MKXGPGLRSA-N 436.553 2.373 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286708196 NRAYVNBOTWHJKL-IBGZPJMESA-N 443.548 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286816063 HVEJASLYDRWDAQ-ZBFHGGJFSA-N 439.969 2.456 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC)C1 1286827528 ROEDRCYCFSCYNA-KRWDZBQOSA-N 432.546 2.487 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)c3cccc(C#N)n3)c2)nn1 1287361529 FFDSSVHJSLOCDA-UHFFFAOYSA-N 433.472 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 1290342058 BVZCGJVNTFMHQT-CVDCTZTESA-N 428.533 2.421 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCCCCCO 1291195489 RXDOJYYPSWHUFQ-QGZVFWFLSA-N 435.536 2.203 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cc1 1300118724 FPULIFBRBXTWCF-HSZRJFAPSA-N 449.490 2.056 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300489050 ZQFWWRCTVOKEMU-FQEVSTJZSA-N 439.516 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cc(C)no2)CC1 1300719274 UTFZCSCSRVTUAG-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1301367605 RDEOBGAOKNBWAQ-AZUAARDMSA-N 438.580 2.101 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@H](C)O1 1301370904 BLUAYEWIFGRRTN-QFBILLFUSA-N 431.562 2.172 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(F)(F)CC1 1301498555 QNRXARAOKBSTMN-UHFFFAOYSA-N 429.431 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccsc1 1301567248 GBKFFRPOTGKEQW-MRXNPFEDSA-N 437.591 2.420 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCC2)CCO1 1301912288 MHHKPCKADXSCDA-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cn1 1303510769 CVIKOYDNXKNHJD-RDJZCZTQSA-N 432.550 2.149 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1304346522 SJCTUIQRQCWCKZ-MEUCICPISA-N 442.545 2.315 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1305766024 BURBQNSJWOHJAZ-JOCHJYFZSA-N 445.612 2.437 30 10 IEEE CCn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312468126 DXAVCEZADBMPAL-QLFBSQMISA-N 449.581 2.235 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1314157751 FEWQUKOUHANGLC-DYESRHJHSA-N 447.536 2.378 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC(F)(F)C1 1314387941 CTVFOHFFTQCOFD-INIZCTEOSA-N 448.522 2.490 30 10 IEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1314653776 HEVRZCVTTMPXAC-OXQOHEQNSA-N 431.541 2.207 30 10 IEEE CN(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314670158 IDRJREITXSEGMN-GOSISDBHSA-N 443.983 2.353 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1358891839 NKRHQDKKNQHECU-RTBURBONSA-N 444.580 2.306 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1358960016 UVLCXGITHLWAGG-SLFFLAALSA-N 428.558 2.387 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1358962601 SMXQXEOVZPSMNE-QGZVFWFLSA-N 433.603 2.417 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358967116 DQGVSLSJIVATIP-RTBURBONSA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncccc1N(C)C 1358976546 IDWYQUIIFQQKCT-UHFFFAOYSA-N 438.495 2.176 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCOCC1 1359008955 DVWGTLAVFGEBMG-UHFFFAOYSA-N 447.580 2.394 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCCC1(C)C 1359019421 UZDPUAOCQHQSLD-PKTZIBPZSA-N 434.581 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1359020258 WVEMLSLAUXSEGA-LJQANCHMSA-N 425.533 2.298 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)CCCO3)CC1 1359029662 DMSNSBNPBMZBPP-LJQANCHMSA-N 439.560 2.131 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359056972 PBQWNTGUVSUDDF-VQTJNVASSA-N 433.622 2.087 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1359106979 ZMXAJXRGKUNOJG-UHFFFAOYSA-N 427.553 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)[C@H](C)C1 1359295409 AHYYOKNZVNGCOE-GFCCVEGCSA-N 437.331 2.221 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359471868 AYYALSDMCYZEEH-BZUAXINKSA-N 431.541 2.225 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1ccco1 1359851554 BGCYSKSZFUVXAY-UHFFFAOYSA-N 448.531 2.093 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)c(C#N)nn2-c2ccccc2)c1=O 1460441759 AWFVFGZBYOCAHK-UHFFFAOYSA-N 428.452 2.188 30 10 IEEE COC[C@@]1(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CN(C(=O)OC(C)(C)C)CCO1 1466609281 MOUOZPKELMKPNL-AUSIDOKSSA-N 445.516 2.111 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc2C1 1466903050 DQPKAFWTQVNVAV-DYEKYZERSA-N 449.533 2.302 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc4nccc(C(F)(F)F)n4n3)C2=O)cc1 1467705620 CVJHICPCZHJZKI-AWEZNQCLSA-N 428.374 2.151 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1470353539 OXHNLROKXVILJZ-UHFFFAOYSA-N 427.427 2.400 30 10 IEEE C[C@]1(CO)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c2ccccc2O1 1473695373 MRTYBAHIOXGZQO-XUZZJYLKSA-N 438.503 2.185 30 10 IEEE Cn1c(=O)sc2cc(S(=O)(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)ccc21 1475445568 ARGNJMBJOZZAQM-UHFFFAOYSA-N 442.566 2.415 30 10 IEEE COCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1505046861 KKBMUDLMTQENQX-GFCCVEGCSA-N 442.339 2.161 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1507516561 LHNHVSQONPPQRQ-IRXDYDNUSA-N 445.589 2.477 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1507563574 HKZSHUDZXCVZJS-OALUTQOASA-N 435.594 2.207 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507630449 YXWHLNMPUPQBAK-QGZVFWFLSA-N 427.555 2.271 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)CC 1507643791 RUHAOAJSDIUKES-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N(C)CC 1507645578 GPWRMBXIBUYRJX-UHFFFAOYSA-N 444.333 2.267 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCCC2)nc1 1507661576 ZUOIQRAXZVVDSU-VWLOTQADSA-N 448.571 2.437 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)F)CC1 1507756469 NNQXIURWHIEBEE-UHFFFAOYSA-N 445.543 2.270 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507846922 BWSOOLSRGVSVAY-GOSISDBHSA-N 446.596 2.124 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)C1 1508127868 WZJQABJVUOFENU-PMACEKPBSA-N 425.533 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508148928 LOHREPFJSRSQQS-HXUWFJFHSA-N 426.583 2.156 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(Cn3ccnn3)cc2)c1 1527211837 YLDQJAZASZNWTN-HIXSDJFHSA-N 438.513 2.392 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)[C@H](C)COC 1531886360 AZSAFCAQGAPDFT-BFUOFWGJSA-N 438.322 2.266 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccco2)c1 1539043090 NCIUSZNVZUFDKF-UUOWRZLLSA-N 449.511 2.339 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539215376 APULJDXCNXKXFU-LXPRWKDFSA-N 430.578 2.303 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc([C@H](C)O)cc2)CC1 1539427327 ATWCHMXXRPGLFT-SFHVURJKSA-N 438.576 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539637854 UAWKVNJASDIRPV-HQRMLTQVSA-N 433.578 2.114 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539705484 WGUJBPYPIYLYHJ-SFHVURJKSA-N 427.553 2.128 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1540889853 VBESHQIWLJBZAD-OAQYLSRUSA-N 449.559 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1540908231 SEVGJXJWXIJSKJ-IEBWSBKVSA-N 437.610 2.041 30 10 IEEE CC(=O)NCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1541084739 ODVPMTHDPOGHOE-QGZVFWFLSA-N 438.305 2.014 30 10 IEEE Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C#N)cc1N(C)C 1545066297 MSPRFZOLNRZQIX-UHFFFAOYSA-N 448.570 2.196 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1554422498 LGJFLNTYPUXVGE-DLBZAZTESA-N 430.459 2.203 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)CC1 1555206633 PVAVSRHGGOKJRM-UHFFFAOYSA-N 428.562 2.301 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 1557267196 NVYIUKQHWGCABI-MSOLQXFVSA-N 447.557 2.164 30 10 IEEE Cn1c(=O)[nH]c(N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)c(C#N)c1=O 1559166507 BDJPTPLZZOLPTC-CYBMUJFWSA-N 443.261 2.099 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1583700254 KIMKWCULZOVMNB-SFHVURJKSA-N 435.567 2.422 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(O)(CO)CC2)c1 1583952504 DQHITPFCXIJXGQ-UHFFFAOYSA-N 425.510 2.248 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N1CCO[C@](C)(C#N)C1 1585431343 DDDDJIMBAOCUBG-PKOBYXMFSA-N 433.306 2.119 30 10 IEEE CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1=O 1585941653 LMCWVNSFPWWJEE-UHFFFAOYSA-N 429.248 2.335 30 10 IEEE Cn1ncc(I)c1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1586554010 QRBUSVMEWZATRO-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE CN1CCCC[C@H](N(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1587725772 JDUZYYZCWGBHPG-KRWDZBQOSA-N 425.489 2.492 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1587746283 OIHYSKIPTVEBAF-UHFFFAOYSA-N 430.578 2.394 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1587809087 YXEJHPQSWFYLPG-OXQOHEQNSA-N 429.496 2.312 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(N2CCCCC2)c1 1587904836 PXEVQTKMEAEYFP-UHFFFAOYSA-N 430.516 2.428 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588044735 BPYCOMAIEHDFDI-CVEARBPZSA-N 444.586 2.171 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N(C)C 1588276502 NVNHVXONVLZTFT-UHFFFAOYSA-N 426.546 2.153 30 10 IEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1594121852 GUQWBNFRCMRAPX-LJQANCHMSA-N 445.589 2.480 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1595213309 ZDQGKTPHDFMWCT-IBGZPJMESA-N 438.532 2.409 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1595561924 HSEPTDUULMSOMK-NRFANRHFSA-N 448.527 2.153 30 10 IEEE CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1596787292 BHHIVAPACVSAQF-YZGWKJHDSA-N 447.377 2.467 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccco2)cs1 1612398715 PBXSGZXLLIZUOE-UHFFFAOYSA-N 425.518 2.397 30 10 IEEE N#CC1(NC(=O)COc2cc(Br)cnc2I)CCC1 1615007534 DEKCMDAQJOVIEF-UHFFFAOYSA-N 436.047 2.390 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)cc1 1616420021 XGZMGEFRLMOVIQ-OXJNMPFZSA-N 442.520 2.072 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1617290896 BPVLGDXOMHNGAE-LJQANCHMSA-N 430.578 2.028 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCSC1 1617728417 GIFCDLOXZLKKLY-QZTJIDSGSA-N 446.602 2.182 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1618894940 AKLFOYSJHUEPCM-UHFFFAOYSA-N 434.504 2.104 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccc(C)n1 1620020466 YMMKSDAZBHVGKB-RXVVDRJESA-N 439.564 2.125 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2cc(C(=O)OC)c(C)o2)s1 1623606744 NLOSRVICFWJPLB-UHFFFAOYSA-N 426.516 2.102 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3nnc(S)n3CC)CC2)c1 1627268863 IZULKJUNJWULES-UHFFFAOYSA-N 432.571 2.404 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1628507488 DKFNYQWWODVXGF-RDJZCZTQSA-N 430.501 2.470 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)cc2=O)n1 1630436247 LZBQZSWQDPRYBN-HNNXBMFYSA-N 432.362 2.466 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1632556975 UDRBNHBCNCOFBK-HXUWFJFHSA-N 448.608 2.228 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)n[nH]2)c1C 1637512959 AOPIACBRTTYIJD-MRXNPFEDSA-N 444.536 2.442 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)n1 1639992395 WQVMZLGYFIRMOH-QFIPXVFZSA-N 429.521 2.411 30 10 IEEE N#Cc1cc(Cl)ccc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1640956965 DWCRTYKLLSAGFG-CVEARBPZSA-N 428.963 2.498 30 10 IEEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1642102815 CXOQEACXTNNDJN-UHFFFAOYSA-N 433.452 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CC3CC3)[C@H](C(N)=O)C3CC3)C2)C1 1642970122 NZBWRFDRYZZUCZ-QKBUSNMPSA-N 430.549 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCC[C@@](C#N)(c3ccccn3)C2)CC1 1644102745 RFVDQXHBLNUFNR-QHCPKHFHSA-N 427.549 2.408 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1cncc(Br)c1 1646138991 DKNOPJQMUXXQFK-OAHLLOKOSA-N 449.330 2.246 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[C@@H]1C(F)(F)F 1648351704 NSQKFNIMKJYJLU-LSDHHAIUSA-N 431.459 2.420 30 10 IEEE C[C@@H]1C(=O)Nc2ccccc2CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1659383828 JHIICQOIMIEYMJ-VGSWGCGISA-N 435.503 2.377 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 1665506122 FMEPHQSCQHPSJK-UHFFFAOYSA-N 449.573 2.412 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1682562467 GICMCVOPRLJPRD-YADHBBJMSA-N 428.577 2.391 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCn4cnc(C(F)(F)F)c4C3)C2=O)cc1 1686083527 BRKHERCAPMVZIO-OAHLLOKOSA-N 432.406 2.494 30 10 IEEE COC(=O)Cc1ccccc1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1686895582 XDKKDIWJXIPCBJ-UHFFFAOYSA-N 446.511 2.474 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1689960982 GLQYJEDNBMUZJG-UHFFFAOYSA-N 449.515 2.148 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCOC[C@@H]1OC 1689998820 XVPXNENKCUQQOT-CTNGQTDRSA-N 435.528 2.272 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)SC 1690006219 KNIGLFHQLBFTAR-UHFFFAOYSA-N 445.614 2.410 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690102166 DYGLDUMTJXLNEE-FQEVSTJZSA-N 446.573 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1690139354 JENLABOCNGQQAY-UHFFFAOYSA-N 439.479 2.296 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690399039 MDGYLQAKMRDYSJ-OAQYLSRUSA-N 438.594 2.157 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690496891 BFYJPDDFJLRBJS-UHFFFAOYSA-N 428.493 2.480 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690632959 ZJYXIIKYTYFTGH-UHFFFAOYSA-N 433.354 2.104 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1692848719 UCXAFXYTIRSBIJ-KRWDZBQOSA-N 446.506 2.221 30 10 IEEE CN(C)CCOCCn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1696619858 GHRXIAVZGAVPMX-UHFFFAOYSA-N 444.543 2.479 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1698225633 FRJMQNQLHVHSFK-KRWDZBQOSA-N 429.521 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(C)(=O)=O 1705486071 WHDYLOBVSDWACV-NSHDSACASA-N 429.315 2.349 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705529540 JBLMVRYENROYPA-LJQANCHMSA-N 436.516 2.134 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705532746 QNWPAKPGMMSAHV-INIZCTEOSA-N 429.471 2.436 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1705534791 RQCMVBJRRXGYTL-GOSISDBHSA-N 435.594 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc(OC)c(OC)c1 1705585104 KSNUUXXVLJQDJQ-UHFFFAOYSA-N 449.555 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705603883 ZQDLGEAPXLNHME-JOCHJYFZSA-N 447.587 2.178 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC 1705619925 GUPAJMQZTZTFRK-UHFFFAOYSA-N 445.502 2.432 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1cnn(C)c1 1705625081 WBBJMVLZAULODP-UHFFFAOYSA-N 436.516 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN2CCC)CC1 1705649754 GKFMNYHDIUVDJC-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705708812 HRXLEVAIBYRONU-FUDKSRODSA-N 446.640 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1705895737 QMPCGWZUBDVTNO-SFHVURJKSA-N 447.543 2.209 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1705900483 FJIGYZZSPHFOMK-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CCN(C)C)CC2)C1 1705918387 IIVCKKKEEKYBOR-NRFANRHFSA-N 439.608 2.395 30 10 IEEE CC(C)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1\N=CC=CC1=O 1706278895 WSTICUBCGQQEPI-QQMHEVNUSA-N 438.536 2.175 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1710779950 DPXLZRBCFPEBGM-ZBBYCGENSA-N 430.553 2.256 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722334436 XKWPYZJVAZVRFF-QUCCMNQESA-N 449.621 2.416 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1722362685 VUXCSZRXRHVVDB-QGZVFWFLSA-N 427.505 2.098 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc([C@H](C)OC)n1 1722386932 BSSHVIOYTZWXHP-BQFCYCMXSA-N 429.546 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1722393431 BRPGNYJOHRKTDO-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1722412943 FYZDRMIRSTWAAY-OALUTQOASA-N 446.596 2.386 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1722453915 DCFHUVDOAAUURD-INIZCTEOSA-N 441.557 2.175 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1722472379 JQTFWRSVBCRWKM-XMMPIXPASA-N 438.551 2.164 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1722588719 YMONHUYTGROOGQ-KRWDZBQOSA-N 437.610 2.135 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722604239 WOBSSRKFNYOCOA-GOSISDBHSA-N 438.580 2.475 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722624369 BGCSVTJWPQPTOJ-HXUWFJFHSA-N 427.597 2.471 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722696120 BMEQHQAJIYIMRY-YCRPNKLZSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1722732262 XBOAKNLNHSOPQR-UHFFFAOYSA-N 442.589 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCO[C@H](C)C1 1722752178 XSQKMEOHTIIKRU-OAHLLOKOSA-N 435.506 2.069 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1729374726 CDELJBLIHTWBFG-UHFFFAOYSA-N 449.515 2.191 30 10 IEEE COc1ccc(CCc2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1730119294 SXRZCCPNBHVKID-QURGRASLSA-N 436.516 2.199 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C1 1730900452 LRCNKCVSHSJSHJ-HXUWFJFHSA-N 433.516 2.400 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C)N(C)C2CC2)c1 1740561825 CNKBJCHVFJJVBR-QGZVFWFLSA-N 444.543 2.274 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740621956 QURGWUXDIPCPDU-LJQANCHMSA-N 438.557 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1740653403 LHYQAEQSBLXVGE-UHFFFAOYSA-N 425.577 2.278 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1740669239 SQJFNEZLGWTUGL-UHFFFAOYSA-N 434.500 2.172 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1740669327 VWELCLOGPGBRPC-UHFFFAOYSA-N 429.594 2.184 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1cnn(C)c1C 1740679074 MVYHPWITLOUCRP-UHFFFAOYSA-N 435.507 2.270 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740687063 QKGQLWFGKPDOTM-YKSBVNFPSA-N 440.544 2.302 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)N2CCOCC2)CC1 1740691684 LOSFEFMNLKFCAT-UHFFFAOYSA-N 436.604 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CCC2)CC1 1740692084 GSJKMTFSALNLEV-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740700144 HGXJLFAXRASFBR-JPYJTQIMSA-N 427.524 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCn2ccnc2C)CC1 1740706713 AALIVYWCNKMCFD-UHFFFAOYSA-N 445.571 2.348 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1740774252 PDWUKXVOMLPEAK-OAHLLOKOSA-N 427.571 2.107 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl 1740940351 BXAOHMSSDRVFDY-LAUBAEHRSA-N 433.940 2.429 30 10 IEEE C=CCSCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1741005345 WLNYWKIOTSCWKX-HXUWFJFHSA-N 439.582 2.128 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748032879 OUHNDCHSKKWVCJ-AOMKIAJQSA-N 439.470 2.209 30 10 IEEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1748698185 DGIMBAZOIXSESA-KRWDZBQOSA-N 449.552 2.442 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1748963925 DCVKQOBOEXZDNX-UHFFFAOYSA-N 443.857 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1749067836 YHPYJYSPRMRSLD-XGHQBKJUSA-N 431.562 2.068 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@H]1C 1749228752 CPNFZTPSFIBXQF-GOSISDBHSA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749659067 TWYDJTJNQAEJQS-UHFFFAOYSA-N 425.411 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C#N)cc1 1749736751 OFMMHIDXSIQNJB-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749749448 LSRXKMHRJWKTAE-KRWDZBQOSA-N 438.561 2.396 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1750062195 VGOOOQNLQQHZPC-XIKOKIGWSA-N 434.342 2.120 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCSCC1 1752727678 CVWHGCDESRQFRO-OAHLLOKOSA-N 427.578 2.375 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1760143575 KRZNYVLBXMXRGQ-UHFFFAOYSA-N 425.512 2.178 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760299587 AMMCZRXMBCNTMZ-GOSISDBHSA-N 441.374 2.068 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1760323295 BYNJQINGCJQVGL-DENIHFKCSA-N 431.581 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H]1C 1760325101 OXTGQHYYIAJHAE-FCEWJHQRSA-N 431.562 2.476 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760414249 KJCSAGNVTIAVJV-UHFFFAOYSA-N 445.637 2.446 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760421000 AWNFEKZTTOUZAX-JOCHJYFZSA-N 427.553 2.356 30 10 IEEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1760473746 FEEYQWVMFSKGEN-KRWDZBQOSA-N 441.623 2.053 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760519801 PWZGALGEQWHVIF-SJORKVTESA-N 441.532 2.127 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCS(=O)(=O)CC1 1760532294 RCMNIGDDRJIJAA-UHFFFAOYSA-N 427.530 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)Cc1cnccn1 1760555175 ZDVXDUSCSCMLSS-UHFFFAOYSA-N 426.546 2.205 30 10 IEEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760559638 JJADRCZZUHZRCS-QAPCUYQASA-N 449.552 2.428 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(C)(C)C(=O)NC 1762192772 GSHIHQAIJCBFSL-UHFFFAOYSA-N 439.564 2.477 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1767793750 GEZYMIPICIUTBI-LJQANCHMSA-N 433.520 2.003 30 10 IEEE CN(C)CCCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)cc1 1768514167 MQKQOKFAVGSZEK-HXUWFJFHSA-N 435.532 2.381 30 10 IEEE CO[C@H](Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1769670862 MBBCGMDBJIIDHZ-HXUWFJFHSA-N 433.516 2.470 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccccc2F)C1 1771530188 CUOBCYOXNKJFOE-QFIPXVFZSA-N 437.454 2.275 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)CC1=O 1852819732 ICOBHTLEQYEJJS-INIZCTEOSA-N 426.498 2.051 30 10 IEEE CC1(C)OC(=O)NC1=NC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 1852846238 VMXHVOHXDHNWQX-UHFFFAOYSA-N 433.468 2.480 30 10 IEEE Cc1ccc(Oc2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)[C@H]3C)cc2)cc1 1854378659 RYZMCPXLDITTIS-MRXNPFEDSA-N 427.482 2.449 30 10 IEEE COc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)CCc3ccc(C#N)cc3)CO2)cc1F 1855471931 UZOTWIXOEQQOPF-MRXNPFEDSA-N 434.445 2.186 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(F)cc3Cl)C(=O)O2)CC1 1856652926 IRTOPIAJDXHEAP-OAHLLOKOSA-N 429.857 2.005 30 10 IEEE COCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857882102 OFFNPTFBFMFLQQ-UHFFFAOYSA-N 431.470 2.022 30 10 IEEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868783920 UNAQKMPJLAPDKG-QFBILLFUSA-N 431.606 2.082 30 10 IEEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccc(C(=O)OCCC)cc1 1872637294 HOVIXYUQBRNYCR-UHFFFAOYSA-N 442.472 2.397 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1OC 1874471245 VRLNDMLJFJBCGU-WSDLNYQXSA-N 429.502 2.359 30 10 IEEE Cc1c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc(Br)cc1[N+](=O)[O-] 1891734141 RRGKUOYYHPKMKR-UHFFFAOYSA-N 431.250 2.288 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CNC(=O)OC(C)(C)C)C(=O)O 1992724420 YUMDBKOWJRHORZ-MRXNPFEDSA-N 425.526 2.299 30 10 IEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N=c1ccc([N+](=O)[O-])c(C#N)[nH]1 1999032099 LSFVUROKPBPULE-UHFFFAOYSA-N 436.469 2.113 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)[C@H](F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622764 DKLXJYOBCJSUPZ-OCCSQVGLSA-N 438.309 2.213 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666407 XNPPVUBSVRYILM-ZBFHGGJFSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227484188 RECATXXMKGMNLN-CRAIPNDOSA-N 444.347 2.244 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)C1 2247533004 AXMGFUMMYQZVFI-BIWSTMPVSA-N 431.455 2.210 30 10 IEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254798267 AVCRCXKAPGJSNL-IAGOWNOFSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCC1 2255627607 WBLFENXJMYOMMV-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)n1 2255633693 FUCMKHXBFQIHHK-CQSZACIVSA-N 436.362 2.235 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255649866 MNUCOCMPXDVURB-RYUDHWBXSA-N 430.232 2.250 30 10 IEEE Cc1nc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2255682819 MNZAPVUVTBKIFI-ZSEKCTLFSA-N 449.382 2.490 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255844218 SOKQWRIXHLJATA-CQSZACIVSA-N 436.362 2.143 30 10 IEEE COC(=O)[C@H](CC(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256601053 NXEFQBVMVOIUSL-GJZGRUSLSA-N 438.330 2.279 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2267091311 PZHNGIYMKJNILE-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE C[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCCN1C(=O)OC(C)(C)C 2267123522 UYNGWOXXCNBSMS-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N[C@@H]3CCOC[C@@H]3OCc3ccccc3)c2)OC1(C)C 2267280886 RMTCZVJICXCFCS-RTWAWAEBSA-N 438.333 2.485 30 10 IEEE Cc1c(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267516312 BYEFCUKMJBEVDO-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267525013 YKQVHJBCROVURJ-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(Cc2ccccc2)C1 2267546719 AQTSPXRXYHBBCV-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE Cn1nc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267547049 FRPWXAFPELWSAX-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CC1(CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267604800 QAFAVAHGHAEVJM-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@](C)(CO)C1 2267840753 GHXWZTOJYRWVPZ-HSZRJFAPSA-N 447.385 2.376 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267877866 YGRPSTJMJRJFDO-PKOBYXMFSA-N 436.365 2.416 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268655532 MYZAKFPFKVSUBP-KDOFPFPSSA-N 446.353 2.102 30 10 IEEE C=CC[C@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2270533908 BKQGTTLYTSKNKQ-CJNGLKHVSA-N 438.424 2.183 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@@H](N)C#Cc1cccc(Br)c1 2278735713 RXARXZGZGPSPNE-JKSUJKDBSA-N 443.363 2.066 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2319943809 KCKFAPHULOVJRS-NXOAAHMSSA-N 435.374 2.279 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@@](C)(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2326109741 VNJBDLDRYFMEAP-XXBNENTESA-N 446.548 2.081 30 10 IEEE Cn1nc(I)cc1[C@H](O)[C@H](N)C#Cc1cccc(Br)c1 2360925476 IQSCZIHGFZLMLX-BXUZGUMPSA-N 446.086 2.200 30 10 IEEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2sc(C)c(C)c2c1=O 23405227 ARLAWPNYAMXHDW-ZDUSSCGKSA-N 434.587 2.478 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1)NCCc1ccc(F)cc1 58994269 HMPVRXIEXURDFG-LSHDLFTRSA-N 430.465 2.252 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1C 59887712 MATHLHAJIRDRRG-UFFVCSGVSA-N 442.549 2.404 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1S(=O)(=O)NCC#N 446606837 SZGMUFKBMDYTRZ-HNNXBMFYSA-N 434.468 2.084 30 10 IEEE Cc1nc(CC2CC2)sc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 473392512 WEHPVLYDIFEICW-UHFFFAOYSA-N 430.555 2.422 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 508937095 VQTFXLAOFFRNAR-CZUORRHYSA-N 425.942 2.306 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1-c1ccccc1C 514517079 NVROXWOQGSCEQV-UHFFFAOYSA-N 426.501 2.005 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C[C@H]2CCCCN2C)CC1 523854351 GNCYVCWUHIWWDW-NHCUHLMSSA-N 427.593 2.432 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCc1cccnc1 530892771 HTNRFFGDTFEMIF-UHFFFAOYSA-N 446.557 2.353 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1 534400674 AEJSNWOPADKCBB-UHFFFAOYSA-N 437.471 2.042 30 10 IEEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545490756 SMLVWDAZZKXRJO-FQEVSTJZSA-N 438.507 2.409 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1Br 546882598 IKQMFEPCVQDOOU-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCCC(=O)NC)CC1 549297788 YDGQLAUELMKNHX-HXUWFJFHSA-N 441.532 2.488 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 576315939 ZXEPBKDXTUXXGZ-AEFFLSMTSA-N 430.578 2.054 30 10 IEEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 608895086 YFAAXPACSLPORM-UHFFFAOYSA-N 440.422 2.344 30 10 IEEE N#CCn1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc2ccccc21 609200529 KQTHKUZHGLCJSK-UHFFFAOYSA-N 440.481 2.144 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 679532981 FHLZUTSALPMIID-NHAYFPRASA-N 449.573 2.047 30 10 IEEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@H]1CCCO1)c1cccs1 730144381 KJHNCPHLUJCDHU-KEAGGWMZSA-N 438.619 2.356 30 10 IEEE C#CCN(CCCOc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 731213656 LGHFSUSZVBIOQN-OAHLLOKOSA-N 433.311 2.182 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732702339 UHEBINNVTSBXCJ-MRXNPFEDSA-N 434.338 2.468 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2SCc2cscn2)CC1 733148494 APVCEUUNCNNECR-UHFFFAOYSA-N 428.583 2.333 30 10 IEEE COCCN(Cc1cc(Cl)ccc1OCC#N)c1c(O)nc(=O)n(CC(C)C)c1N 735306414 NFASLXOPDIRHJY-UHFFFAOYSA-N 435.912 2.396 30 10 IEEE CCn1c(S)nc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc2c1=O 760405790 MWBWQXCLRWOOAS-UHFFFAOYSA-N 434.543 2.239 30 10 IEEE CC[C@H]1CN(c2ccccc2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 764422475 SHBCFLBBQOZOLS-KRWDZBQOSA-N 426.542 2.243 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)c(OC)c2)c1=O 772310423 DOJNMLAIYIUYAM-UHFFFAOYSA-N 444.512 2.255 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 774035882 PRRJVNVSYXZXMR-FQEVSTJZSA-N 443.500 2.410 30 10 IEEE COc1ccc(OC)c(-n2c(=C(C#N)C#N)sc(=Cc3cccc4cnccc34)c2=O)c1 782926534 SKPCVZKMSFRNFP-UHFFFAOYSA-N 440.484 2.491 30 10 IEEE COc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(-n4ccnc4)cs3)c2=O)c1 783946438 PUGYJCKQPIFKSP-UHFFFAOYSA-N 431.502 2.181 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCc3c(Cl)cccc3C2)cc1 785609805 JOKXLSVDUYQPPV-UHFFFAOYSA-N 431.945 2.040 30 10 IEEE C#CCn1ccc(CN(CCOC)Cn2nc(Br)c(=O)c3ccccc32)n1 788370787 YCLJEWHIQLOPDD-UHFFFAOYSA-N 430.306 2.095 30 10 IEEE CC(C)Oc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1C(N)=O 790158877 VVIUJBXOZGYLED-UHFFFAOYSA-N 444.513 2.030 30 10 IEEE CSc1nc(C2CC2)cc(C(=O)OCC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1C#N 792734560 BSXVTOUCIBQGGH-INIZCTEOSA-N 446.573 2.182 30 10 IEEE Cn1cc(C#N)c(NC(=O)NC2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 812949171 QGKKZCLGJVFHOQ-UHFFFAOYSA-N 431.541 2.277 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)C2=O)cc1 1138181605 XKUKNDJIVUZXKA-WIOPSUGQSA-N 432.524 2.197 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 1142659194 MASOGYCKBTUFCW-IRLDBZIGSA-N 425.554 2.497 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 1143293540 IHNZSIQDUOKESC-JKSUJKDBSA-N 430.977 2.081 30 10 IEEE N#Cc1cn(CCC(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)c(=O)nc1O 1143793064 ACZUTGDJQJIYDE-UHFFFAOYSA-N 435.263 2.063 30 10 IEEE C[C@H](CC(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1147436027 DJCHNTUPIUUHHO-FZKQIMNGSA-N 449.479 2.382 30 10 IEEE CN1CCN(c2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)nc2)CC1 1160578203 GALRIJMOIALMAQ-UHFFFAOYSA-N 430.306 2.485 30 10 IEEE Cn1cc([C@@H]2CN(C[C@H](O)COc3ccccc3C#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1195384649 AGHTZQQMIBWXST-SLFFLAALSA-N 441.532 2.024 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1286268740 BGMLTDGLDDSTGR-OAQYLSRUSA-N 449.603 2.184 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286350629 HYNAOONUWSNHCX-UHFFFAOYSA-N 432.576 2.475 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286354395 MKQIJRVMWDOYJD-SFHVURJKSA-N 440.573 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)CC1CC1 1286408235 BNFMORAPVGYBHQ-UHFFFAOYSA-N 430.961 2.420 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1286462716 SNEFSJUKFGWZEN-QGZVFWFLSA-N 435.532 2.022 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@H](C)C1 1286606498 RNPDLUDWJVWTQK-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1286750654 FGWGRDCJDXAMBT-BHDDXSALSA-N 444.624 2.001 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)(C)C)CC1 1286781896 DGTFFGYBTDPXHH-UHFFFAOYSA-N 441.536 2.466 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1286973154 ZULAMKBMAWMEIT-OAGGEKHMSA-N 433.557 2.123 30 10 IEEE N#Cc1ccc(NCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)nc1 1290717503 AUGVAGFBKDJPCS-ZDUSSCGKSA-N 439.950 2.050 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1300391058 DYRCGINRECFYKK-JOCHJYFZSA-N 427.505 2.086 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1300457436 DDKNSYYMGFQCIG-GBFLJEJBSA-N 447.580 2.392 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1300487205 HZICMVLDBQITJG-QGZVFWFLSA-N 432.521 2.304 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300497025 XCSMXCAHEHWFMK-QGZVFWFLSA-N 440.635 2.016 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2CCN(CC)CC2)CC1 1300683230 XSOQPEKCWHHCBP-UHFFFAOYSA-N 443.640 2.074 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1301017240 HYGRHOZUMFEMFH-AWEZNQCLSA-N 441.989 2.241 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1301338235 UPWGCZKTMXGISK-SFHVURJKSA-N 436.520 2.100 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NCc2ccccc2)C1 1301557092 MKKDLUKKSHTGPJ-VQTJNVASSA-N 425.533 2.270 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC[C@H]2CCC3(CCOCC3)CO2)C1 1312468185 BYHNUWYLFFUQDI-RCCFBDPRSA-N 436.553 2.411 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCC1 1314728863 GFSIPQIRKCWPQU-UHFFFAOYSA-N 437.529 2.210 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)C1 1337693400 INBIDOPEEHCDBG-INIZCTEOSA-N 442.497 2.486 30 10 IEEE CC(C)c1nnc2n1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)[C@H]2C 1352119637 DFFNJUWARFVDEF-YOEHRIQHSA-N 435.488 2.082 30 10 IEEE C#CCN(C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@H]1CCS(=O)(=O)C1 1352903522 AOCVHUMWXVDRON-INIZCTEOSA-N 425.432 2.213 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCOCC1 1358889203 YZAWUXUAKDANCU-QGZVFWFLSA-N 447.580 2.392 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)CCOCC1 1358939683 CITJGOWJLALUMN-UHFFFAOYSA-N 430.578 2.433 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)[C@H](C)CC 1358988987 KTEGTYQSDDHICG-WZONZLPQSA-N 432.532 2.181 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C)C1 1359130915 AXWUJZIEIKHOHQ-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C)C1=O 1359264627 KGZPESGIMJZFLS-OAQYLSRUSA-N 428.562 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C1CCCC1 1359299162 XJFRYVWVHMKSNE-UHFFFAOYSA-N 435.532 2.263 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1359333319 UJDQOUXIJQZEQZ-UHFFFAOYSA-N 432.590 2.263 30 10 IEEE CSc1ccc(CNC(=O)CCc2c(C)nc(N3CCOCC3)nc2O)cc1C#N 1439245378 INVBEKZZLFFRCW-UHFFFAOYSA-N 427.530 2.170 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)c1 1441769918 ZFSIFTIUDTVTSQ-OFVILXPXSA-N 449.507 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)N3CCN(C(=O)CC#N)CC3)C2)C1 1465872066 AOCBAZAYNFPHQK-TZQQIIETSA-N 436.578 2.140 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC(C(=O)OC)=NO2 1466829356 GENOZIHRSYOVQA-ZDUSSCGKSA-N 429.901 2.333 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CC1 1471233443 GTKXSKHEIZLDJS-FKSLSLAPSA-N 446.548 2.402 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCNc3ccc(C(=O)OCC)cn3)n[nH]2)c1C 1472355007 SENVAAJJPALWQR-UHFFFAOYSA-N 437.504 2.490 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1F 1478822862 HYSUNSYPHHSOLK-UHFFFAOYSA-N 438.431 2.192 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1502944720 GUXTWXTUDBMBRB-SAXGHGMBSA-N 428.537 2.322 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1504944513 VTAKCWJYWYJQMB-JTSKRJEESA-N 429.521 2.316 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccs1 1504992925 BGMDGOFIGJDOMB-FUHWJXTLSA-N 430.578 2.483 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1507646941 UJKZVUIVJFAEBH-HXUWFJFHSA-N 430.556 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507654193 XIOMQCGKXCLBNJ-IPMKNSEASA-N 446.617 2.483 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507781502 ARJGTTUEIXOMEG-AWEZNQCLSA-N 433.372 2.094 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1507793659 FHLDCQUWKLJKBP-IEBWSBKVSA-N 433.578 2.220 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507836401 JSUJRIBUVZZZRZ-OAQYLSRUSA-N 431.516 2.151 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1507927580 YUDHGIJEUQWHAF-UHFFFAOYSA-N 431.562 2.407 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1507958212 QZQQSPAOIQINJG-HNNXBMFYSA-N 437.541 2.183 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC[C@H](C)C1 1512069015 ZVGHEMBRJGANER-ROUUACIJSA-N 436.564 2.446 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)cc1OC 1516277604 TXTDVVIEWZBAEA-OAHLLOKOSA-N 437.447 2.363 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1csc(COC)n1 1516540587 ZKLDJEZWMVZPTN-UHFFFAOYSA-N 441.517 2.001 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1516774907 DWFNTCNJBABLIB-MRXNPFEDSA-N 430.578 2.170 30 10 IEEE N#CCCN(C(=O)CCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1 1529839592 XFJUVXJSJKSDAW-SFHVURJKSA-N 441.509 2.065 30 10 IEEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1535243643 YBZSSPONDHXPLX-BXKMTCNYSA-N 437.544 2.344 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539215608 GYKHFRZEKPBMKM-ROFLEHJCSA-N 436.541 2.019 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1539226029 SVAQEBMLPBJBGH-FQEVSTJZSA-N 442.585 2.133 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539226277 WTKWDBHICWPQDV-GOSISDBHSA-N 427.574 2.230 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)N1CCOCC1 1539232489 FOGXLJPWNKWPRK-UHFFFAOYSA-N 448.571 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCCN2C2CC2)CC1 1539482190 JPIQCHUYJDSDKL-OAQYLSRUSA-N 426.609 2.459 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1539656139 UKTAURVIRDLVRG-IERDGZPVSA-N 434.562 2.291 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540918142 KOZQCAUIEBTDFS-ICSRJNTNSA-N 428.606 2.340 30 10 IEEE CC/C=C/Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1546777642 SYIDTVMOECSISF-ZZXKWVIFSA-N 443.515 2.485 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@](C)(O)c2cc(C)oc2C)CCOC1 1547891074 AKSGANKUUHYXLO-BHIFYINESA-N 447.511 2.490 30 10 IEEE Cc1nccn1CC(=O)N1C[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@]2(CO)C1 1548366387 JGPFTINJPQRQOG-UTKZUKDTSA-N 447.461 2.429 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1552715730 BSARTMTYMZMCLP-UHFFFAOYSA-N 444.543 2.012 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 1556749608 LONNSYRZDSARSR-SFHVURJKSA-N 449.916 2.441 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C(=O)OC)C2CCCCC2)ccc1F 1557853992 DNFNFLSFPUADQO-MRXNPFEDSA-N 426.510 2.389 30 10 IEEE Cc1ccc(C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)cc1S(=O)(=O)NCC#N 1558135023 HACWZQQUIXOQLP-HXUWFJFHSA-N 428.470 2.004 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)n1cc(Br)cn1 1568507860 HKHPHPLJAFNFRG-CXAGYDPISA-N 430.306 2.386 30 10 IEEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cc1F 1585051210 LBZLXIYVSXMYFI-UHFFFAOYSA-N 436.896 2.463 30 10 IEEE CN(C)[C@@H]1C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1585891126 JRWIEZSUCGFNHM-RTBURBONSA-N 432.590 2.275 30 10 IEEE Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)nn1-c1cccc(C#N)c1 1586230333 JKAWDOLWQGLBDL-RTBURBONSA-N 427.530 2.175 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(F)cccc2C(=O)OCc2ccccc2)C1=O 1587523343 ZAQFMLYEWPIEAY-UHFFFAOYSA-N 439.399 2.098 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1588267016 ZTXOEDOQHCJURJ-MJGOQNOKSA-N 436.626 2.145 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOC(C)(C)C)CC1 1588835599 CIRBNEPQGMXGEN-HXUWFJFHSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2cccnc2OC)CC1 1588908748 VZEPDRURBAUALK-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589036671 MNSBVOJZPPRTNT-IBGZPJMESA-N 445.614 2.316 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1593763348 HLGVRZACAFUBNW-MRXNPFEDSA-N 444.502 2.066 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)c1 1625080777 CSXUXCFLLHYNPP-UHFFFAOYSA-N 438.503 2.262 30 10 IEEE CN(C)c1n[nH]c(C2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 1627376916 ROLKSDQBTMMHPL-UHFFFAOYSA-N 430.553 2.227 30 10 IEEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](CO)c1ccc(Cl)cc1 1628211320 SIYCDPRRORQNDI-QGZVFWFLSA-N 435.933 2.351 30 10 IEEE C[C@@H]1CN(c2cccc(CN(C)C(=O)C#Cc3ccc4c(c3)OCO4)c2)S(=O)(=O)C1 1635219709 ABPCBONYFPEDQF-MRXNPFEDSA-N 426.494 2.211 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1635421842 YTNHKBOZCMKRGL-HNNXBMFYSA-N 427.461 2.106 30 10 IEEE CCOC(=O)[C@H]1Cc2cc(F)ccc2N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1637093857 KBLMXNURHAOUFI-SFHVURJKSA-N 444.484 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cnn3c(-c4cccnc4)ccnc23)C1 1638203005 IFJLXPKEEPGXOU-RDJZCZTQSA-N 433.472 2.280 30 10 IEEE C#CCOCCN(C)C(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1640917432 DYXAZQLWJDWVHN-SJLPKXTDSA-N 442.375 2.151 30 10 IEEE N#Cc1cccc(C2(NCC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)CCOCC2)c1 1647795467 IOYBPGCEVKTSMD-UHFFFAOYSA-N 448.932 2.093 30 10 IEEE CCOC[C@@H](C(=O)OC)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1652936600 BUCXFEGMDCZFRV-FQEVSTJZSA-N 426.517 2.473 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)n1 1655207548 RBFJYJXTXXUSJP-UHFFFAOYSA-N 440.909 2.185 30 10 IEEE C#CC[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1667569793 DIMFUBZLDSYCNN-SFHVURJKSA-N 446.573 2.185 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCS(=O)(=O)C1 1682343146 HRIBHAUWEONHBQ-IAQYHMDHSA-N 429.311 2.407 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1683181089 HHEKFSRRSYTMHO-WJOKGBTCSA-N 446.573 2.013 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1684226318 MEARFRSXABZJNZ-JWQCQUIFSA-N 446.599 2.222 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1 1686633960 GRHJIDXZUZFSKY-LJQANCHMSA-N 434.606 2.171 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnc(CC)s1 1690095766 BYURVKHLXVIQSG-UHFFFAOYSA-N 427.490 2.402 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1690204410 JKYVXOYBLXUVSO-ZFGGDYGUSA-N 428.625 2.438 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1 1690622495 QPUBZYBHDTVAHD-LLVKDONJSA-N 430.456 2.392 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CCN(C)CC2)C1 1690685192 XUCJVPMNFNDFLL-KRWDZBQOSA-N 436.626 2.025 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691561212 UCBOFMISMTUTMP-OYHNWAKOSA-N 426.521 2.114 30 10 IEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1692473784 GDCUNQUGLOTTRK-UHFFFAOYSA-N 441.580 2.420 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCOCC1CC1 1693749255 RUOYQGSNVYEHNG-KRWDZBQOSA-N 438.532 2.212 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCOC[C@H]1OC 1694120521 GSUYPBNZCOKYEN-DFQSSKMNSA-N 439.564 2.436 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1694247463 APKQIQVISUMKAC-HZPDHXFCSA-N 436.438 2.227 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)C[C@@H](C)C#N)CC1 1695866620 AAASRUUCKXAUIO-ZWKOTPCHSA-N 439.564 2.296 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1 1697922557 BVJOPWFZVTYOJJ-HXOBKFHXSA-N 436.516 2.318 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705497218 WHFCRYGYZAUTHN-RXVVDRJESA-N 440.567 2.409 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCCNS(C)(=O)=O 1705620090 LEZHBGXFLGIIFX-IBGZPJMESA-N 449.552 2.238 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705704237 ZRTHQVJYUUTPJD-DENIHFKCSA-N 432.613 2.202 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705737296 OAXJOQWBFUKTHR-QLFBSQMISA-N 436.500 2.408 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCN(C)CC1 1705838572 UGRBDWKQHCYJQJ-UHFFFAOYSA-N 439.593 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705895516 JIANWNPEVBLNNN-INIZCTEOSA-N 430.940 2.205 30 10 IEEE CC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1706059795 BEQZVCDYXRWSRV-UHFFFAOYSA-N 435.488 2.040 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1706072738 GJLXWDCZWBPBOT-MRXNPFEDSA-N 435.488 2.055 30 10 IEEE Cc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1707672902 HFDYGXSJDYVKHZ-XDOYNYLZSA-N 444.499 2.206 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1711425024 FNEQNCVTFYVFLF-SJLPKXTDSA-N 446.577 2.293 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1722325105 FEGDRCMKWBPPQF-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359132 QDKKGFLVCTWTIY-RTBURBONSA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722361229 FYZQVJFUTALFJV-JKSUJKDBSA-N 437.953 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@@H]1C 1722369922 CQWIQYHVROFQNX-GAJHUEQPSA-N 439.947 2.485 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1722383178 QLTRRGNIPQQQBK-QFIPXVFZSA-N 444.539 2.312 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1722411747 ONFJNXOYEIPZGZ-PMAPCBKXSA-N 447.580 2.392 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722425004 ILRVWNMBNNSMME-SFHVURJKSA-N 435.532 2.028 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1722473857 IDBAWXALDAQZAP-WOIUINJBSA-N 433.622 2.437 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1722490555 APYCIJXJIQEQKF-FCHUYYIVSA-N 444.624 2.386 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722555868 MUWCVNHVXOJKLC-KRWDZBQOSA-N 447.971 2.305 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCN(C)C2)CC1 1722569618 HSURQPFWNZLBBH-HSZRJFAPSA-N 427.549 2.479 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N2CCSCC2)CC1 1722578634 UVYVFYJSACZQIM-UHFFFAOYSA-N 436.607 2.054 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722603570 YAMJTJVECVXNNX-WIYYLYMNSA-N 438.580 2.080 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722643019 CQQNALALGUZQER-GOSISDBHSA-N 433.578 2.378 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 1722706482 UFWXAEIKYJSDMN-UHFFFAOYSA-N 430.528 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CCC1 1722727658 OIJDEMRTJPMDJH-UHFFFAOYSA-N 428.518 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)cc1 1722728914 ZNNFXUKGTLPOQT-SFHVURJKSA-N 434.562 2.418 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1723779722 YGRGMTDQTRBUPV-AWEZNQCLSA-N 441.927 2.078 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1728583831 HVXSNCLXJAYKKP-RTBURBONSA-N 425.493 2.456 30 10 IEEE CNC(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC#N 1729721141 HNWSJECVTTWARE-HNNXBMFYSA-N 433.557 2.267 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCOCC(F)F)c1 1731180775 LHHBSEGGMMIOGD-QZTJIDSGSA-N 433.459 2.483 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1740540075 XJUNOSXKJRMOBM-FDDCHVKYSA-N 433.597 2.278 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740572625 QPXWATLAPUEDCK-VQIMIIECSA-N 442.516 2.126 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C)C(C)(C)C1 1740607428 PYINVLGVHAIUMV-UHFFFAOYSA-N 432.576 2.226 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1740668949 GFSPJAVZHBAYHC-SFHVURJKSA-N 433.560 2.383 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)cc2)CC1 1740818748 SSHGCDKFKZYQNL-HNNXBMFYSA-N 432.550 2.051 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)F 1740938195 BGSWFWODGSIMRG-UHFFFAOYSA-N 447.483 2.397 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1741000442 APOQIFKJUOJPJU-IBGZPJMESA-N 442.589 2.484 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1741151672 URKOSKZOUGVCLP-FQEVSTJZSA-N 429.456 2.458 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 1743093964 CVXTVJBXOFWAMV-ZWKOTPCHSA-N 444.605 2.418 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1745801624 HRMZDOFYJPLOEM-IBGZPJMESA-N 426.521 2.116 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cscn2)CC1 1748765540 KYMKTNNUENBUCE-HKUYNNGSSA-N 430.578 2.194 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1N1CCCC1 1748888110 NZNHSDOISWIPFS-HXUWFJFHSA-N 434.519 2.480 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCCN2CCC)CC1 1749019482 VVCSEEYPDLKSJQ-FQEVSTJZSA-N 430.597 2.045 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1CCN1CCCS1(=O)=O 1749528291 KTTQRCNXRCZFBI-UHFFFAOYSA-N 431.562 2.392 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1749554590 WLRVUPDGRGEKBL-OAHLLOKOSA-N 427.534 2.189 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ncn(-c2ccccc2)n1 1749830446 KLOHTGPAPYJVMN-GOSISDBHSA-N 436.520 2.168 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCOC1 1750068321 AHHIJILIHSODBC-JKSUJKDBSA-N 431.566 2.261 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1760185978 ICDRDBMLMMYRJB-PMUMKWKESA-N 438.475 2.304 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NC)CC1 1760284262 ILMVFHZLOBDHJP-UHFFFAOYSA-N 427.574 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760315276 CDVVVXVCCFZOKQ-XEYPJELSSA-N 435.569 2.040 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760352436 WLBBREZVNVHMJG-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCC2)C1 1760539703 TWUGRZBGYMTYKA-GOSISDBHSA-N 446.573 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ncc(Cl)n1C 1760556076 UKFFWCMFUZHOJH-AWEZNQCLSA-N 442.973 2.144 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1760574035 BBOUJJGCSXIPCR-WJOKGBTCSA-N 440.573 2.175 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760844583 YUNUAACUEQPZQG-QZTJIDSGSA-N 438.488 2.093 30 10 IEEE Cc1ccc(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)c(=O)n1C 1761789785 DHHOBEVCEMZGNN-CQSZACIVSA-N 444.499 2.245 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCC(C)C)n1 1762455667 VVQFNWGIEHAJQM-OAQYLSRUSA-N 440.596 2.379 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1763201119 GVGDRGKMXJXYNM-IRXDYDNUSA-N 428.587 2.380 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)OC)C2)CCC1 1767191926 HBTZDLCHLTUYFT-GOSISDBHSA-N 436.516 2.122 30 10 IEEE CN1C[C@@](C)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1769055610 XNCUAAOPAVCKSB-YWZLYKJASA-N 446.964 2.431 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1770453094 FTDGWPUZDOSDSU-GOSISDBHSA-N 434.500 2.495 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1770727927 KNTRHGOYGAWGRF-HTAPYJJXSA-N 437.454 2.265 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C1 1770730894 GLDOHVQYMOKDOY-SFHVURJKSA-N 442.829 2.334 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(OC(F)F)c1 1771187235 DAEWTTBEUVVATD-BFUOFWGJSA-N 440.426 2.489 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCN(CC(F)(F)F)C1 1771281578 MYWNTFDEHOIBRY-QZWWFDLISA-N 444.502 2.482 30 10 IEEE C[S@@](=O)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1771371822 GZXLETOXNSMHLT-WENCNXQZSA-N 425.493 2.104 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1771442771 VFHRHYCPGIOTNH-IGGDJGDASA-N 439.545 2.198 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)nc1 1772564056 WKTPFCBBLMPTJE-UHFFFAOYSA-N 447.547 2.476 30 10 IEEE C=CCC1C(=O)NC(=NC(=O)c2c(C)nn(C)c2Oc2cccc(C(F)(F)F)c2)NC1=O 1851458638 JFJOVHFGEYGZGV-UHFFFAOYSA-N 449.389 2.474 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)[C@H]1c1cccc(F)c1 1851837275 VNJNNQDWYCTBSD-SWLSCSKDSA-N 435.399 2.216 30 10 IEEE Cc1ccc([C@H]2[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cc1 1851892197 KOYAMPPVHWOMEJ-GMAHTHKFSA-N 447.539 2.147 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)C2CC3(C2)CC(F)(F)C3)C(=O)C12CCCCC2 1854413600 GRXFSRQXBZIGCW-UHFFFAOYSA-N 429.489 2.039 30 10 IEEE C[C@@H]1C(=O)N(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CCN1S(=O)(=O)CC#N 1854787591 QQOSCUOCQPPUNK-DNVCBOLYSA-N 445.928 2.385 30 10 IEEE COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)CCc3ccc(C#N)cc3)CO2)cc1C 1855467187 PVMIGTNGDHXQJW-SFHVURJKSA-N 430.482 2.356 30 10 IEEE N#CCCN1CCN(C(=O)c2cc(OCC(F)(F)F)ncn2)C(=O)C12CCCCC2 1856628279 NXANCUVPYRHHBE-UHFFFAOYSA-N 425.411 2.319 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(N(C)C)cc3)CC2=O)cc1 1870159315 KTEMVWCWZDYLFK-HNNXBMFYSA-N 445.483 2.205 30 10 IEEE C=CCN1C[C@H](C(=O)N(CCCn2ccnc2)Cc2cccc(OC)c2OC)CC1=O 1872959312 JSQVXTAFSFQDQI-LJQANCHMSA-N 426.517 2.354 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2OC)cc1 1874350278 DJOWQWFKCRHFGX-FSJBWODESA-N 441.513 2.354 30 10 IEEE COc1ccc(Cc2nnc(S)n2/N=C/c2cc([N+](=O)[O-])c(O)cc2O)cc1OC 1874567530 CAQGJGGZOKAXEZ-DJKKODMXSA-N 431.430 2.376 30 10 IEEE Cc1cccc(O[C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1C 1889421729 SJYPXMCHCSCANN-JOCHJYFZSA-N 427.589 2.329 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)c1 1891294765 VNFBITWMFRCJHQ-UHFFFAOYSA-N 429.480 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010525233 GMYULBYSVCMNAQ-XUVXKRRUSA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3C[C@@H]4[C@H](C3)[C@@H]4B3OC(C)(C)C(C)(C)O3)[C@H]21 2060635895 QJJZXPGUFMPPAT-RNGXCGTMSA-N 434.342 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073752901 VICBXFXITWWYPJ-NYHFZMIOSA-N 436.358 2.443 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2232267495 CJBXOIXROGAJRM-MRXNPFEDSA-N 447.341 2.200 30 10 IEEE Cc1cnc(N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232267531 CRFKHAHCIBDLSS-AEFFLSMTSA-N 447.385 2.401 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2243416621 HTOQVLWNSYIJKX-LSDHHAIUSA-N 430.376 2.491 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435592 TXFYGZUDIBLSRB-OAHLLOKOSA-N 430.376 2.350 30 10 IEEE C[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247776827 FALREQNTFDDFLA-GFCCVEGCSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247833073 AGVDGLPFAMOVAI-STQMWFEESA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247908390 SSEUKIBXKKJWJR-XBFCOCLRSA-N 435.355 2.180 30 10 IEEE C=C(CS(=O)(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2)B1OC(C)(C)C(C)(C)O1 2247962080 KVQMFBHJMNPGFW-YWZLYKJASA-N 442.387 2.493 30 10 IEEE Cn1cc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255816431 FGHUUIMXUPIJQM-GOSISDBHSA-N 425.338 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2256618035 NKXFKVVCZQPKOU-NRFANRHFSA-N 433.314 2.003 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C[C@@H]2[C@H]1CO 2266064775 DOEHMQWVHOPBEF-RYQLBKOJSA-N 445.369 2.045 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2267092267 VDDYLEPUAGXHFK-GJZGRUSLSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267093855 YLHOJQMIAULICU-LZWOXQAQSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267135235 AEANSDPSOWCJBP-GJZGRUSLSA-N 446.357 2.369 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267184888 YELWGPYYWVHHNT-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2267225234 GEPLKRUOPLYKHH-KRWDZBQOSA-N 448.369 2.252 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267288145 YYUWWZQAAMIKJL-OIISXLGYSA-N 449.357 2.114 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267496426 BACFHSKGBYGOMD-GASCZTMLSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1CCNC(=O)OC(C)(C)C 2267518697 GOGYHDJDKCXUBT-CABCVRRESA-N 448.373 2.332 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267521167 RHNRWUBQOJLYAL-GOEBONIOSA-N 448.373 2.426 30 10 IEEE CC1(C)CN(Cc2ccccc2)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267882307 QLTJIYVMLXTZCR-GOSISDBHSA-N 436.365 2.416 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268604794 COIXFSWUQOLJJD-GOSISDBHSA-N 448.369 2.484 30 10 IEEE CN(C1CCC2(CC1)OCCO2)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282349678 BWYHOVOZORLKIW-UHFFFAOYSA-N 443.396 2.354 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1O 21319104 MCFWNTJCKZJQNR-YSRRJJCPSA-N 441.517 2.122 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(CC)cc2)[C@@H](C#N)C(=O)N3)CC1 72444723 SXJWVDRZPSTRAX-QZTJIDSGSA-N 449.511 2.336 30 10 IEEE N#Cc1c(NC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)sc2c1CCCCC2 97024866 NYGAOQICECNEJS-INIZCTEOSA-N 430.574 2.398 30 10 IEEE CC1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c(C#N)c(=O)[nH]2)CC1 223968210 PMMUTBCWGDNIKV-UHFFFAOYSA-N 427.530 2.329 30 10 IEEE COc1ccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254412228 RFONJIXBOMSLBV-ROUUACIJSA-N 432.523 2.376 30 10 IEEE CN1CCN(Cc2cccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)c2)CC1 469113409 RTRFRRKXFSCCRE-QFIPXVFZSA-N 449.580 2.459 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3cc(C#N)ccn3)cc2)C1 473759398 SYGHSGUOVPJWMX-GASCZTMLSA-N 434.543 2.421 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1 479604500 UYPIUVFEAVSQQC-IBGZPJMESA-N 446.573 2.456 30 10 IEEE COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC(F)F 480776040 BVDFUKHVOWXPCP-LBPRGKRZSA-N 439.440 2.151 30 10 IEEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488888323 VQIJEXLTVVFXJN-CQSZACIVSA-N 434.468 2.170 30 10 IEEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489427757 AGBYYPLLTWBCNX-KRWDZBQOSA-N 442.541 2.125 30 10 IEEE CN1CCN(CCCNC(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](c2ccccc2)C1 502367097 QKUIRNVPQUSIRE-QHCPKHFHSA-N 447.587 2.164 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 504094128 SRTBTGVIELANFM-MBSDFSHPSA-N 429.517 2.473 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C1 505012184 BYAIKSIOODZPTG-INIZCTEOSA-N 432.546 2.198 30 10 IEEE CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 507529068 HPUOIHQATDOZDX-UHFFFAOYSA-N 449.554 2.041 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1-c1ccccc1C 517986417 HEINWYDGDXIVLE-UHFFFAOYSA-N 436.562 2.032 30 10 IEEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@H]2CCCO2)c1C 524107362 AZONFPOVETWKCJ-LJQANCHMSA-N 445.544 2.487 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 555259636 FJAZNDTUOPVLPK-OAQYLSRUSA-N 443.548 2.152 30 10 IEEE Cn1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCOC2)c2ccccc2c1=O 571348465 UAUJEGXWNXOHEP-MRXNPFEDSA-N 433.516 2.359 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)c1 586080540 XCEFUPMVLJIHNC-QGZVFWFLSA-N 429.498 2.159 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)CC1 604188546 AANNTZVEANPODU-QHCPKHFHSA-N 446.555 2.292 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cc1 607947494 IDYYWQQFQCINKX-IBGZPJMESA-N 438.549 2.107 30 10 IEEE C[C@@H](C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1)n1cccn1 609256689 CSSXYZVWFCYGFM-AWEZNQCLSA-N 434.431 2.348 30 10 IEEE C#CCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 729334991 FYYAYNXRBVXGFE-WBVHZDCISA-N 442.497 2.425 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 758061984 LXSOZVUSEXLWQS-UHFFFAOYSA-N 431.517 2.098 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)c(C)c2)c1=O 758067996 PNRMCMUBUILWDI-UHFFFAOYSA-N 441.350 2.486 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccn(C)n2)C1=O 765545727 RBNAIRFADMAKTK-GOSISDBHSA-N 446.552 2.149 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766434517 RJFVIDGDZLJNLY-UYAOXDASSA-N 448.527 2.434 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CCN1C1CC1 770418742 WGIABZBBJNRQIR-SFHVURJKSA-N 448.365 2.167 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 777364319 INSNXRHJZRIBPZ-INIZCTEOSA-N 443.566 2.323 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 780205908 OJLWNVXXVWSNRZ-LPHOPBHVSA-N 447.369 2.441 30 10 IEEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)c1 784499047 GHLRXQMUMKVQHM-QYZOEREBSA-N 425.514 2.132 30 10 IEEE C#CCOc1cccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 784623740 DYKBLLZTJYOMJF-IBGZPJMESA-N 442.493 2.229 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccnn3-c3ccccc3)c2=O)cc1 790360817 SITWSJDRVGRCOI-UHFFFAOYSA-N 425.473 2.120 30 10 IEEE COc1ccc(C(Cc2ccccn2)=NNC(=S)NCCCN2CCOCC2)cc1 807948464 JNKOKRCDBXYTKU-UHFFFAOYSA-N 427.574 2.223 30 10 IEEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812202289 AMIVQFGRBQSLMR-ICSRJNTNSA-N 444.557 2.008 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCO1 812442073 OSPOVMQOTLTDDQ-RBUKOAKNSA-N 443.548 2.228 30 10 IEEE CNC(=O)COc1ccc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC 920587826 GWTRVQWFAANQDM-PMFMOCITSA-N 445.516 2.296 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1144923824 XCRUBHFXARWCLV-UQBPGWFLSA-N 431.492 2.056 30 10 IEEE C#CCN1CCC[C@H]1C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1149695329 SCSDJYCJVROJQP-FQEVSTJZSA-N 438.532 2.006 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)CC2=O)cc1Cl 1153511603 GGYJHEFTDCCLJB-HLIPFELVSA-N 427.888 2.165 30 10 IEEE C#CCC1(NCc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)CCCCC1 1198085495 UZLLLAYWFIWBEZ-UHFFFAOYSA-N 431.514 2.303 30 10 IEEE CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1198956605 CUJJWCZBBDINTI-UHFFFAOYSA-N 443.529 2.219 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1272601117 FUTJWVSLXVUIQC-KFZJALRRSA-N 428.938 2.211 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286388719 BACLJYGRWHWZGA-MRXNPFEDSA-N 435.500 2.321 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1286437461 NUZDTFLXICLQOC-HSZRJFAPSA-N 433.597 2.279 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1286599127 LJGPBNNRFNSITC-HSZRJFAPSA-N 425.533 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](OCC(C)C)C1 1286820394 KTINSOHTVQRBDP-ZWKOTPCHSA-N 426.583 2.024 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@@H](C(F)(F)F)O1 1291224835 GBJXRJZBTOMYTC-XYPHTWIQSA-N 437.422 2.388 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)[C@@H](C)CC 1297288171 REDIXIIJIIRPBJ-SFHVURJKSA-N 426.569 2.138 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1299125516 XUNIQSMVCJKYRF-UHFFFAOYSA-N 438.463 2.472 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1300402632 BTSMRCZHUUXMTE-IBGZPJMESA-N 438.507 2.181 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1cccc(OC)c1)N(C)C 1300478785 BJCMWRMWYGRDGG-JBACZVJFSA-N 427.549 2.383 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(C)COCCO2)CC1 1300708616 WRVBSKOZOFXVAQ-DEOSSOPVSA-N 439.560 2.035 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300769854 KYNFWTTXHCLJCG-QZTJIDSGSA-N 439.497 2.209 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1302266854 UJQQWSMBLKQICY-SFHVURJKSA-N 441.536 2.298 30 10 IEEE CC(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1303030339 SHKIHINNJXPVHJ-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1305106046 AVAXDESIANGXIN-HXUWFJFHSA-N 442.589 2.172 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(CCOc4ccccc4C#N)C3)[C@@H]2C1 1308028321 KYUQWGOUYWSPSP-NSHGMRRFSA-N 442.516 2.451 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)NC3(c4cccc(C#N)c4)CCOCC3)ccc21 1309695688 PEDXSVUJCMHSCV-UHFFFAOYSA-N 425.510 2.451 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1 1310131945 WTCQBUJIOFNLPO-MGPUTAFESA-N 436.534 2.236 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCN(C)C(=O)c2ccncc2)cc1 1354105558 YLVNOJIXTVSQPT-UHFFFAOYSA-N 430.530 2.379 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1358899755 UIMUQBWOHXSILF-WBVHZDCISA-N 426.546 2.325 30 10 IEEE C#CCCCn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1358935848 VGHAGAVTTHMYGU-JOCHJYFZSA-N 433.553 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1nccc(C(F)(F)F)n1 1358982276 QDTSJPVRTMMFNU-UHFFFAOYSA-N 442.449 2.264 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1359008805 AMKKWPVJCPFATM-GAJHUEQPSA-N 444.580 2.330 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(OC)CCC(C)CC2)CC1 1359029759 HCKHPYMGPZLVTQ-LRZVDXDASA-N 433.597 2.353 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359059146 BVNVWZCGYAWLSW-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCCOC)C1 1359089614 LTPVRXHZLRWUAR-ZCNNSNEGSA-N 447.580 2.127 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(=O)NC 1359102004 VKEBRROFNSSTJB-VGSWGCGISA-N 437.548 2.070 30 10 IEEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1359193669 HPOXKKBESUSSGM-NRFANRHFSA-N 436.560 2.217 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC[C@H]1OC 1359279533 KKDCIRASAWQCDO-YLJYHZDGSA-N 430.505 2.364 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1359304910 NDPQHNJZBSJQOE-UHFFFAOYSA-N 442.539 2.287 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1359314573 DCFCJQJKEKPLMP-MAUKXSAKSA-N 447.517 2.069 30 10 IEEE C[C@@H]1CCc2sc(NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c(C#N)c2[C@@H]1C 1436545307 CJJWBKAJTVERBB-GHMZBOCLSA-N 425.514 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCCC[C@H]12 1464925201 MTXTVOBXIBHLTA-PBFYGWGISA-N 432.521 2.199 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1=O 1467660965 GHYNOWHAZCPSBF-FQEVSTJZSA-N 440.541 2.061 30 10 IEEE CCN(CC)C(=O)CN1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1467852251 NWTJCKKVGJKVSI-UHFFFAOYSA-N 435.366 2.312 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1 1469509805 NLXVLBZHDHDFKC-UHFFFAOYSA-N 433.530 2.444 30 10 IEEE C=C1CCC(CNC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1471283370 JNZSKUVKULYFFO-KRWDZBQOSA-N 429.583 2.456 30 10 IEEE C#CCC1(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCCCC1 1477339564 GBCGSMYHSWBZLR-UHFFFAOYSA-N 433.574 2.374 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCC2)CC1 1503377137 MCMBTOMCQRPZDI-HXUWFJFHSA-N 433.560 2.383 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1503388616 ZQNQWDWWKBVINF-ZTFGCOKTSA-N 432.475 2.439 30 10 IEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)C(C)(C)C 1503974520 AECYSQDCWNYUAA-LJQANCHMSA-N 440.548 2.173 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507515701 IFCWJEFJWJYHTA-NXOAAHMSSA-N 425.599 2.188 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1507517458 QLSYRSODDBHAJN-KGLIPLIRSA-N 425.942 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1507522151 BCTCGYBTSDBLLV-SBUREZEXSA-N 427.549 2.265 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C(C)C)N1CCOCC1 1507538171 QPBMDZRDSVQFRY-FPOVZHCZSA-N 435.576 2.331 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCn2nc(C)nc2C1 1507579370 UGLYHYCNWVTOKX-UHFFFAOYSA-N 429.326 2.380 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507599603 RPIQWWZGVWSJFX-LAUBAEHRSA-N 430.509 2.001 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507627970 LVQKMVTXNNQUBJ-AEFFLSMTSA-N 432.546 2.288 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507637245 IZFGNCHXZROYNQ-APWZRJJASA-N 434.537 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2C)CC1 1507739556 CFZUGQSCUSLHQE-UHFFFAOYSA-N 448.571 2.031 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507848612 ZDRPMFWCZYXEBA-UHFFFAOYSA-N 425.533 2.491 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1509352608 NGEIUNZCTMLJMJ-GOSISDBHSA-N 440.548 2.458 30 10 IEEE CCNC(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1515977647 GAFXCJVIGUXBCF-DEOSSOPVSA-N 449.559 2.442 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517887445 OQTSJOXWRZTJNJ-SJDLZYGOSA-N 436.516 2.477 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ncn(-c2ccccc2)n1 1519403285 DCELCQPRTAHLBL-ZWOKBUDYSA-N 436.520 2.369 30 10 IEEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1519527413 YDUPWIGVXRCNEN-SFHVURJKSA-N 429.546 2.257 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)COc2cccc(Br)c2C#N)O1 1524585508 AHQZBSNYKXLKHU-WQFMGJDKSA-N 437.290 2.410 30 10 IEEE C=CCCC(C)(C)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1529881922 KAIJGWOVIJQBJS-UHFFFAOYSA-N 433.530 2.436 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1539120116 QZJUGXWDGZSXEP-INIZCTEOSA-N 427.471 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@H](CO)O1 1539251164 ZRWUQBDZTDTUJL-JKSUJKDBSA-N 447.308 2.459 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@@H]1C 1539265926 KUQCUERMMRNZCH-FQEVSTJZSA-N 432.576 2.009 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCOCC1 1539311941 CPMLGPJCTLJPSC-UHFFFAOYSA-N 440.573 2.128 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1C 1539415743 GLYOFAVVOZTPJL-MOPGFXCFSA-N 446.573 2.042 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)O)CC1 1539436326 PSKBPURGQXLISD-UHFFFAOYSA-N 427.549 2.267 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1 1539437453 AOKRIOUGYJJFCI-OAQYLSRUSA-N 434.544 2.015 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC1 1539438123 OVSYCIYFSKAAEN-UHFFFAOYSA-N 445.493 2.456 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1539534090 KWFIBCJIXOTHLF-OAQYLSRUSA-N 438.923 2.030 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1539547418 ZJAWQAXZUIFZAQ-OAQYLSRUSA-N 426.546 2.138 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1540867636 BZCZNNZAASASLZ-UHFFFAOYSA-N 428.512 2.081 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1540874907 VQGCQCGVZWBKBI-UHFFFAOYSA-N 447.543 2.441 30 10 IEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1540917827 DQVZJOQXNPKSEO-UHFFFAOYSA-N 429.590 2.392 30 10 IEEE CC(C)NC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1541703811 ZPQAAUONEFJTQU-ZSDSOXJFSA-N 449.531 2.015 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1541803265 FRFKHNRVEIJMIT-CRAIPNDOSA-N 444.561 2.151 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2C)s1 1543708453 ZMNDNNMCQISXIS-UHFFFAOYSA-N 442.584 2.247 30 10 IEEE COCc1ncc2c(n1)CCN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1544246128 VCBHCORHDAAPER-AWEZNQCLSA-N 425.876 2.086 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1546074965 DZDTVMJJLDFBCK-AINLKENTSA-N 435.532 2.417 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1555321921 ACVWHEZNCGABAD-HSZRJFAPSA-N 439.516 2.317 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1555607007 ZQJHFBLQTRQFLT-UHFFFAOYSA-N 449.515 2.141 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC2(O)CC2)c1 1555987725 PZWFJSBXUXBWFQ-UHFFFAOYSA-N 438.429 2.364 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC2CCCC2)cc1 1555991455 OSHMONMKEYSOFG-SFHVURJKSA-N 438.532 2.390 30 10 IEEE COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556074412 UAEJESVOFMLJRM-MRXNPFEDSA-N 432.473 2.417 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1556584646 DFKAPQQTBHUGKP-IJEWVQPXSA-N 430.954 2.195 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1 1557396915 XQEIPFPHMDZOIX-UHFFFAOYSA-N 428.558 2.188 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)CC1 1557562385 XYUJVBCOLOJWDW-BSRJHKFKSA-N 445.564 2.133 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1F 1557869410 WRLGVGSLENJDON-UKRRQHHQSA-N 441.525 2.418 30 10 IEEE C#CCN(C(=O)Nc1cn(C)nc1C(N)=O)[C@@H]1CCOc2ccc(Br)cc21 1563237476 HNHGGRYHGAIMSF-CQSZACIVSA-N 432.278 2.272 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C3CCCC3)cc21 1563315935 UKRGVDPULQBUAS-SFHVURJKSA-N 434.566 2.299 30 10 IEEE C#CCN(C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1569238586 CRAXJNHWPPKALR-JOCHJYFZSA-N 431.492 2.393 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 1583522027 VCSLOVSVJCAGMP-CYBMUJFWSA-N 434.265 2.299 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CCN1Cc1ccccc1 1585916634 JEYDGMZGNMZMBF-SFHLNBCPSA-N 433.430 2.034 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1587615423 UVKLCCRKHUVQSL-OALUTQOASA-N 433.560 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1587640276 QNDVSXLABHBNPT-WMZOPIPTSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588040588 OWFUTQGATLDPBZ-OAHLLOKOSA-N 439.994 2.373 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1588064759 OQSVKAKDVCICNZ-KRWDZBQOSA-N 436.603 2.108 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1588068864 AYHZPHBIPUICAB-LJQANCHMSA-N 444.605 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC(C)(C)N1CCOCC1 1588238465 WQYQFOALXZWONM-UHFFFAOYSA-N 435.572 2.451 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1588265479 BKEVEHNFVGGBSS-ZDUSSCGKSA-N 429.468 2.415 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1588314649 LYYPZIRQOYUDKW-UHFFFAOYSA-N 448.575 2.079 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC(C)C 1589544381 GPOSAPISPDGYJO-FHWLQOOXSA-N 440.610 2.270 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1595195863 BQJKOUKSECUBSL-UHFFFAOYSA-N 439.516 2.177 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1595517344 XPXHYTOPXZZIQE-UHFFFAOYSA-N 426.521 2.304 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C1 1595699719 OSDVYTQJGSOFLY-UHFFFAOYSA-N 426.469 2.484 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1596823492 UUFOXERANNWNBB-SJLPKXTDSA-N 428.512 2.402 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)Oc2cccc(OCC#N)c2)(S(C)(=O)=O)CC1 1597183862 FVZQBPVMHQWCFA-UHFFFAOYSA-N 438.502 2.309 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CCO1 1612978486 SKYKWAOOLROJBH-PXNSSMCTSA-N 427.505 2.149 30 10 IEEE CCN(CC)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1615449570 AQVDDTNASQPJOX-QFIPXVFZSA-N 444.511 2.474 30 10 IEEE COc1ccc(Br)cc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1619150566 AQXQJAVEJDFMMU-XJKSGUPXSA-N 448.321 2.330 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1623376931 GSDPAASZIUBXCD-KRWDZBQOSA-N 446.389 2.043 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1OC 1631591345 DLDWNOSHNPAHLM-BRWVUGGUSA-N 438.550 2.036 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 1631964598 QDERNZNBQRLZEG-GOSISDBHSA-N 449.330 2.189 30 10 IEEE COc1ccc2nc([C@@H](C)NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[nH]c2c1 1633532828 OHWZHFUVGKPLKG-CYBMUJFWSA-N 427.486 2.254 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cc(C#N)cs2)cc1OCC 1636255660 ZEIADQCACBKJMM-UHFFFAOYSA-N 437.543 2.354 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 1637675286 OGVVERZJHKEKHE-PIIMJCKOSA-N 435.546 2.088 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)=NO1 1638911470 TUTHIRHUMHMVPY-HZPDHXFCSA-N 428.493 2.026 30 10 IEEE N#Cc1cnn(C(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)c1N 1641560216 LXEURMZAKPMPIB-DOMZBBRYSA-N 437.319 2.033 30 10 IEEE Cc1c(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)sc2ccc(C#N)cc12 1653587353 GCYZUUIELFQEFE-UHFFFAOYSA-N 441.538 2.086 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(I)c(C(=O)OC)c2)CCC1 1666307724 RPSSPVHDLUSMSK-UHFFFAOYSA-N 433.267 2.302 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1683591538 IUJWELKJNWWNGI-HSZRJFAPSA-N 435.528 2.102 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689882887 PFZNHOOAILZNMS-LJQANCHMSA-N 426.542 2.384 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1689930253 NQSOKSRJHQQSPP-AZUAARDMSA-N 439.564 2.106 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689988878 XWTRTHIKLBPUNO-QGZVFWFLSA-N 434.949 2.493 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1690134742 DDUOEGRALMZVFS-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C)CC2)CC1 1690138129 SOSLKVILLXWHHM-HSZRJFAPSA-N 429.565 2.085 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CCS(C)(=O)=O)C1CC1 1690163303 AJBXROMTDHXDQO-UHFFFAOYSA-N 439.994 2.373 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1690241315 QYCSRMFVMOLSIP-LAUBAEHRSA-N 441.532 2.222 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)CC1 1690676302 VWHYJYHZWLENTL-QHCPKHFHSA-N 438.532 2.426 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1691549922 BLTPUCNZTJLYKI-XXBNENTESA-N 437.548 2.264 30 10 IEEE CC(C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1692401597 IRMCTRGGCFKZQR-VZCXRCSSSA-N 438.488 2.292 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1C 1693151526 XOISSSRVCGVWAQ-UGKGYDQZSA-N 427.505 2.008 30 10 IEEE CC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1694022021 YOLDFXFIEYSQGK-ZHRRBRCNSA-N 430.503 2.485 30 10 IEEE CN(C)[C@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1696604891 YYMXAPAUEVDQGH-XLIONFOSSA-N 443.533 2.019 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1698255516 UDMSHURCRVGXGL-BPDSMXLESA-N 446.596 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(C)c1 1705490190 DPSBMEJCUWYPJU-INIZCTEOSA-N 434.500 2.202 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2cnn(C)c2C)c1 1705504857 FHVSPOSFJHIGIN-UHFFFAOYSA-N 428.500 2.420 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCCc2cnn(C)n2)c1 1705508474 WNGICUDDMKXQML-UHFFFAOYSA-N 432.532 2.048 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC1 1705552373 YFSASAHUZSFAKI-GOSISDBHSA-N 432.569 2.142 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1705559426 ANOZPFSOQFQMKI-KURKYZTESA-N 444.557 2.258 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705564855 RBENQBNYEUHCDY-SFHVURJKSA-N 445.589 2.117 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nncn1C 1705621642 JNVCAFSXKIYELV-OAHLLOKOSA-N 429.912 2.334 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCOC2)n1 1705631658 LTOUCGBTLUKMGF-AZUAARDMSA-N 428.537 2.039 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1705670971 PVHVAPBJRFHMGF-HSZRJFAPSA-N 447.547 2.075 30 10 IEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(N)=O)CC1 1705682619 GNDJBHMHSZBRFY-UHFFFAOYSA-N 448.321 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CC)C1 1705936832 ZHMSXXFGZGHODQ-QFBILLFUSA-N 448.545 2.007 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705943303 UUVBEUVKNQHVQY-UHFFFAOYSA-N 439.593 2.331 30 10 IEEE CC(C)CSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1706539233 IROSWAYMXVPJBO-CRAIPNDOSA-N 428.628 2.408 30 10 IEEE Cc1nccnc1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1707795381 DZNKUOHWJQVECG-HXUWFJFHSA-N 440.508 2.053 30 10 IEEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1709095591 CSCDIDFWPSQWNQ-QGZVFWFLSA-N 429.546 2.195 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1709839785 BBAODAVTYZWCEO-GOSISDBHSA-N 439.520 2.058 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1710094585 AXSHPSDTTGNDHR-KRWDZBQOSA-N 439.545 2.011 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1snnc1C 1722295507 WPMRNHOLPOUJON-ZDUSSCGKSA-N 434.529 2.341 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722313237 RPJBYTCRQDNJIX-LJQANCHMSA-N 425.581 2.124 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366512 RDZNBHIRHDOHEE-GOSISDBHSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccco1)N(C)C 1722372801 AVRXDLBFYXECRS-CVDCTZTESA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)C(C)(C)C)CC1 1722436053 ZZYGEFRKKZSRFD-UHFFFAOYSA-N 433.553 2.053 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCC(OC)CC1 1722447411 MQFNELGFFGUYAX-UHFFFAOYSA-N 429.521 2.297 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1722492288 DZWHZOGQUBSIKZ-QINHECLXSA-N 441.532 2.255 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)[C@@H]1CC 1722689453 TZOKCKOZBIAHGI-PBHICJAKSA-N 446.939 2.089 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNC(C)=O)CC1 1722693261 IIVZQLLMGPONFG-UHFFFAOYSA-N 430.940 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CC)C1 1722710602 LJQQNFSGKFEAOO-VQIMIIECSA-N 433.578 2.280 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCSC1 1723928542 HNNVEFIUPUBTMN-GOEBONIOSA-N 426.612 2.162 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1727084898 GPAHCAUWFANOLI-UZUQRXQVSA-N 439.564 2.161 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccs2)C[C@H]1O 1729782313 DKGPBRANSWTHQW-IEBWSBKVSA-N 437.525 2.481 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1740537536 FGJWCUREOGIUAZ-HXOBKFHXSA-N 443.523 2.346 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740636519 SPZNIHIKZLMVNZ-GOSISDBHSA-N 430.516 2.420 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740761663 PDXGGBANXQKUOP-DYESRHJHSA-N 441.580 2.435 30 10 IEEE C=C(C)Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740785819 DQFIVSBYAGRNMY-OAQYLSRUSA-N 438.594 2.444 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)C1 1740979740 CJTAIYRZQKEWJC-IBGZPJMESA-N 448.527 2.201 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1743995659 ZXBTYMCHNBUWLZ-HBMCJLEFSA-N 446.596 2.038 30 10 IEEE CCn1cc(CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1746349373 DYFYAPFZBHZWBR-VZCXRCSSSA-N 438.536 2.315 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1748657679 HHVYRYGJVNTWDY-QGZVFWFLSA-N 441.532 2.059 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748807863 CWIVJXICUUUAHJ-RCCFBDPRSA-N 432.546 2.288 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817167 GDIQCPRXMXBCED-NHCUHLMSSA-N 443.617 2.333 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCOC 1748847471 TWFFGRNEGAEZOB-LJQANCHMSA-N 445.564 2.128 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1C 1748847858 XUPKWYCHVVVSRG-OALUTQOASA-N 426.542 2.029 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)CC1 1748991389 VTDDCZBSUCQITC-OALUTQOASA-N 446.596 2.183 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1748993396 WYBRJUDTUJXYED-SSEXGKCCSA-N 431.581 2.310 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1)C1CC1 1749518230 YXVGDQFKWQIACZ-CYBMUJFWSA-N 436.442 2.305 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749664696 XGRDSPBDYYHLPB-QFIPXVFZSA-N 444.967 2.202 30 10 IEEE CC(C)c1nnc(N2CCC=C(Br)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750636270 UBSHAAIMGSFSQB-ICFOKQHNSA-N 435.326 2.417 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1750668871 FZXISOTYXXTFCZ-LJQANCHMSA-N 431.562 2.360 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCSCCCO 1760113971 ZWWLEHNDQQNGSZ-KRWDZBQOSA-N 429.594 2.026 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C1CCC1 1760113981 DILVHXKBNFTPIT-HNNXBMFYSA-N 433.516 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1760222786 YIFVTUXLPQYSOG-HDICACEKSA-N 442.564 2.036 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1COc2ccccc21 1760244044 KMYXQWMOURBLAL-MBSDFSHPSA-N 426.517 2.192 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760259022 XDFXYTORLPROMA-QFIPXVFZSA-N 436.604 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)C1 1760549280 ATQZPEOOTPIERC-NQIIRXRSSA-N 434.924 2.443 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763918312 QMYFQMVHXCJAJA-AZUAARDMSA-N 438.580 2.453 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(N(C)C)CCSC1 1764127248 FXGXGQAUXAQIOB-WOJBJXKFSA-N 437.589 2.076 30 10 IEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1)S(C)(=O)=O 1764833176 JAVWITDRGUZRHE-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)CC(F)(F)F 1768885063 BZAZBRCRMLFZPP-HXUWFJFHSA-N 449.481 2.403 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1769707380 HSCWGKCXXVDRLU-QHCPKHFHSA-N 431.500 2.364 30 10 IEEE CS(=O)(=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C#N)CC2)CC1 1770309209 DVCYREKPHQUEIP-UHFFFAOYSA-N 435.500 2.464 30 10 IEEE COc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1770483297 MCNJRPYFLVQCSB-AVRDEDQJSA-N 427.505 2.104 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1CCN(C(C)=O)CC1 1771179881 BXDLTODJLCTMJX-KRWDZBQOSA-N 432.569 2.391 30 10 IEEE N#Cc1ccc(N2CCN(CC(=O)Nc3ccc(I)cn3)CC2)cc1 1851118235 XHZYHVUIXLFTJW-UHFFFAOYSA-N 447.280 2.319 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)CCC2 1851672610 RLTIVKCDXGTEMP-QGZVFWFLSA-N 431.493 2.216 30 10 IEEE C=CCN1C[C@H](C(=O)N(C)c2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)CC1=O 1853333403 KAWAMESRQWUFFO-QGZVFWFLSA-N 427.526 2.458 30 10 IEEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@H](C)NCCn3ccc4ccn(C)c4c3=O)C2)CC1 1853445510 WVFGHWKTECMOAE-PKOBYXMFSA-N 432.590 2.079 30 10 IEEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@@H](C)NC3CCN(c4nc(C)cc(O)n4)CC3)C2)CC1 1853571878 FYURJPHNRPOTIH-QZTJIDSGSA-N 449.621 2.198 30 10 IEEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C2)CC1 1855603650 IXPHECUSNWCRDB-SFHVURJKSA-N 434.558 2.276 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H]3CCCc4ccccc43)C(=O)O2)CC1 1856722165 QJZRXODPKCEDJG-RTBURBONSA-N 431.514 2.019 30 10 IEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 1857806735 HWEFOXWHCGJLQR-NHDPSOOVSA-N 429.527 2.119 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862420165 DQHGXLPMBPZCTG-LJQANCHMSA-N 446.406 2.393 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871624022 GQKUWLAKMDCWLS-UHFFFAOYSA-N 438.580 2.268 30 10 IEEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1CCN1C(=O)CSC1=O 1872796259 RYZXADORCOVFJL-UHFFFAOYSA-N 426.523 2.116 30 10 IEEE NC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(Br)ccc1F 1874444595 GIMAQNFIMFCBID-QSEIOMAKSA-N 428.287 2.491 30 10 IEEE C#CCCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883386415 MDTBCEIHTZZEHC-HXUWFJFHSA-N 427.478 2.416 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 1904856246 XIWORRWQXYSSQJ-CYBMUJFWSA-N 427.498 2.036 30 10 IEEE CCn1nnc(Br)c1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2124444897 KTOGFBFTQZYBJH-NSHDSACASA-N 429.319 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2Br)[C@H](C#N)C1 2163036442 QGWZOUXXFPDLLA-CYBMUJFWSA-N 438.326 2.415 30 10 IEEE Cn1c(Br)nnc1CCNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 2185234777 DQOGLUOOCUYXME-LBPRGKRZSA-N 443.346 2.214 30 10 IEEE C=C(C)CN(CC)C(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195284912 GKFBDHUUKQBAHF-VPTFNQTCSA-N 438.546 2.318 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2COC[C@@H]12 2224079392 INZQTBBUGABRIY-BBWFWOEESA-N 431.342 2.109 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247776804 DTKBAVQZNUSEQO-IMRBUKKESA-N 435.355 2.037 30 10 IEEE C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248440021 DFGFAZLDEXWSOC-FZMZJTMJSA-N 443.350 2.310 30 10 IEEE Cn1ncc(I)c1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254793722 XRYWQHNBXKIWKJ-UHFFFAOYSA-N 440.094 2.331 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)co2)OC1(C)C 2255538912 RPLIYQARUVQWBP-UHFFFAOYSA-N 430.232 2.110 30 10 IEEE CCN(CCNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C(=O)OC(C)(C)C 2255821989 IKVLFFCLJWEMMP-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2255933583 QTJCGRFJJBKLLA-UHFFFAOYSA-N 446.378 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256021707 JTLIKCZPPCKESF-QFIPXVFZSA-N 433.358 2.352 30 10 IEEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CC2)ncc1B1OC(C)(C)C(C)(C)O1 2256626766 NVJSZXCRVFJMRU-HNNXBMFYSA-N 432.330 2.326 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256926657 BWGWKDOCCZVKBW-BBRMVZONSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2259922833 PUFKGTLGHYPRLQ-YEJXKQKISA-N 449.382 2.429 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(Cc2ccccc2)C1 2267161937 JAWNKZLGSMZPNH-MJGOQNOKSA-N 436.365 2.416 30 10 IEEE CCn1cc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267178041 WSKCGFFEEBLONN-RUYXUALKSA-N 436.365 2.062 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267216760 XJIOSNCMXZGGCX-HKUYNNGSSA-N 436.365 2.416 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 2267493844 AHCYSVJPLBATMK-AZUAARDMSA-N 436.365 2.066 30 10 IEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871655 PSBUYQJZKLHHND-UHFFFAOYSA-N 448.373 2.493 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881110 XOHSBTGTQVJXHV-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268641413 NRCIPGQXGLDFMO-CABCVRRESA-N 447.341 2.344 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C[C@@]23C[C@H]3NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268717627 LXZMKVCAURYGSC-ZIACGZRISA-N 444.341 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302955048 KCOCEQJVZZMWLD-XXBNENTESA-N 447.601 2.064 30 10 IEEE Cc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321181281 QLALURQJFOHUNI-UHFFFAOYSA-N 435.462 2.439 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1c(F)cccc1Cl 2330742734 HLOYDYKYFWYUOU-UHFFFAOYSA-N 426.905 2.207 30 10 IEEE CC(C)c1ccc(/C=C\C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 4467708 OMSAPTIRIXMRNQ-XGICHPGQSA-N 445.570 2.299 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nnc1-c1ccncc1 10492350 HGCGZOHNSQOUSW-GOSISDBHSA-N 430.578 2.091 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cn1 20827567 DVVKRDBKWSOWAB-AERZKKPOSA-N 435.464 2.224 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 26910322 DRFRHQRPTBJSAT-INIZCTEOSA-N 443.573 2.066 30 10 IEEE COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295055 VASOSJGFNVYREE-KRWDZBQOSA-N 442.541 2.209 30 10 IEEE CCc1nc(Cn2c(=O)oc3cc(S(=O)(=O)Nc4ccc(C#N)cc4)ccc32)no1 64946895 CKGBKNJCNOIFKC-UHFFFAOYSA-N 425.426 2.261 30 10 IEEE Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 105287325 RMSWTBTVIWDDPL-UHFFFAOYSA-N 441.557 2.301 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425801 JSPOAXXZCGKGBV-FQEVSTJZSA-N 439.468 2.155 30 10 IEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)cnn3-c3ccccn3)CC2=O)cc1 170525984 WCWFKINBFKAQSB-MRXNPFEDSA-N 444.451 2.307 30 10 IEEE Cc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)N1CCCCCC1 430349954 GAQSHNBEZWDDEL-UHFFFAOYSA-N 432.546 2.308 30 10 IEEE CC(C)c1nnc2n1CCN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)[C@H]2C 439269033 DNKVXTQGPSLDCW-IRXDYDNUSA-N 427.578 2.249 30 10 IEEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)C2)cn1 445132644 IKGGQEIRNHDKLS-QGZVFWFLSA-N 427.940 2.446 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccncc4)cc3)CC2)nc1 445712759 VSOLEAPLPVUILI-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 460542551 JZMDKBUKIBJDKT-QFBILLFUSA-N 449.577 2.393 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cn3)c(=O)n2C[C@H]2CCCO2)cc1 462431594 XDWLQZWLESTUFP-HXUWFJFHSA-N 445.544 2.487 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCCSC 478850609 GRTJSTOJJDPZCC-UHFFFAOYSA-N 445.585 2.170 30 10 IEEE N#Cc1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1Br 487937250 WOKFOFBKCUFBGM-UHFFFAOYSA-N 427.324 2.399 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(Cl)c1 503862734 QMUNGGWVVRTAFJ-ROUUACIJSA-N 444.944 2.089 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 505496476 SMZZZZVONSFZCB-JOCHJYFZSA-N 449.573 2.398 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 508944553 FRELLBRUJRRPPP-QGZVFWFLSA-N 435.532 2.356 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 549265636 HKCYOGSEHPDSME-KRWDZBQOSA-N 445.545 2.254 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(F)c(C#N)c(F)c3)CC2)cc1 551953020 ZCYWVQQMJFLZAO-UHFFFAOYSA-N 444.463 2.425 30 10 IEEE CCc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)cc1 560426724 JKZAVOVEEFORNS-UHFFFAOYSA-N 432.549 2.376 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 584852433 DYQQDQDTRXMKTR-UHFFFAOYSA-N 446.559 2.394 30 10 IEEE COc1ccc(N2C[C@H](C(=O)NC3CCC(Oc4nccnc4C#N)CC3)CC2=O)cc1 585356184 YHXFHUDOFRBVRA-MDCZIUGASA-N 435.484 2.216 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 609600435 FWCZZCNSZDATAS-SFHVURJKSA-N 425.420 2.397 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 610809805 IAHJKNYVELZYGX-OXJNMPFZSA-N 437.525 2.059 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(OCC#N)cc2)c1 727678665 VVOXWQBXJPJJPD-UHFFFAOYSA-N 442.541 2.369 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cnn3ccccc23)c1=O 729671189 QUASXXBMGLHDPQ-MRXNPFEDSA-N 438.553 2.102 30 10 IEEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CCC2)c1 730463076 RSMXGBPSXMDTLY-SFHVURJKSA-N 434.562 2.256 30 10 IEEE CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)N2CCOc3ccccc32)cc1 731767791 KVBLJISLQWQWCV-GOSISDBHSA-N 448.479 2.242 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC)c(C#N)c2)c1 746859319 POPDKEOMYXWZNP-UHFFFAOYSA-N 437.905 2.075 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2cnc[nH]2)CC1 751431871 WUYLXAUFYBTTPN-QGZVFWFLSA-N 429.546 2.269 30 10 IEEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 755809770 OWSFEKAPEBYAPZ-OAHLLOKOSA-N 434.345 2.362 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C1CC(F)(F)C1 757911121 ZWAKFURNHPYHQK-MRXNPFEDSA-N 440.516 2.492 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cnn(-c2ncccc2C#N)c1 763467373 CTUHDCQPYSFELS-HNNXBMFYSA-N 431.909 2.269 30 10 IEEE CC(C)C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 768144393 QIBZIZNWWGAAPV-ZDUSSCGKSA-N 444.351 2.138 30 10 IEEE Cc1cncc(/C=C/C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 772374500 AKKZYFCDOYQTFV-SNAWJCMRSA-N 447.451 2.415 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 777301494 FFPDOTSOOWYJBU-UHFFFAOYSA-N 445.520 2.098 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 787893722 LAUDRHXURLSRBI-UHFFFAOYSA-N 443.241 2.123 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)c2ccnc(C#N)c2)ccc1C 795966674 DCRBTFGYCFOPLV-OAHLLOKOSA-N 444.513 2.476 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 805784119 FYQBTCITOXMNKO-NRFANRHFSA-N 434.606 2.315 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CCN(CC)CC1 809891609 XYVBYGMNTWSUKH-UHFFFAOYSA-N 432.594 2.304 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1cc[nH]n1 813613507 PGYGJNHYKYBQFI-OAHLLOKOSA-N 430.465 2.098 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@H](C#N)C1 1126949008 YBDVAQNWXTZXFS-OAHLLOKOSA-N 432.431 2.466 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1Br 1185675541 PWVXBHMLGJXTLG-CQSZACIVSA-N 442.356 2.413 30 10 IEEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)nn1 1223792106 KESXBHMWFIZEDA-UHFFFAOYSA-N 444.492 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H](c2ccncc2)C2(CO)CCC2)C1 1225936553 FFVGUDWMYVTIRS-OKZBNKHCSA-N 429.521 2.344 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 1230315204 IOGHGWFMYLFLOZ-UHFFFAOYSA-N 428.533 2.382 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1286296983 UCRIUDJWUYYMQU-XMTFNYHQSA-N 433.553 2.469 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286387083 NTNLWNZWLJUTLQ-QZTJIDSGSA-N 445.564 2.195 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286389313 HYVKPOKOLRRRTH-SFHVURJKSA-N 444.605 2.022 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1286390417 AQOIFCIBKOAUBV-LJQANCHMSA-N 440.525 2.168 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1c(C)nn(C)c1C 1286402669 CJHJEDRWJGEZFF-UHFFFAOYSA-N 448.527 2.442 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286605233 SXCLTXXTMJKLLA-FUHWJXTLSA-N 426.477 2.161 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286612933 ZPHBNXKIVOQXFB-IBGZPJMESA-N 443.523 2.476 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCOC1 1286741144 GZLBRSYPXPDCHO-XMMPIXPASA-N 430.512 2.480 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1286745447 WDKULEFFNJCCMK-GOTSBHOMSA-N 446.523 2.413 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1286788340 UXGFPWFHUWSKCG-IRXDYDNUSA-N 443.552 2.365 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC)C(=O)C1 1286796454 SNSNIAQJNRHNBP-UHFFFAOYSA-N 435.532 2.350 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1286824993 KUJZCQOJPQKGBH-SQGPQFPESA-N 426.583 2.156 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)CC1 1288982995 HSMXDJJDIQLMAF-GOSISDBHSA-N 430.553 2.230 30 10 IEEE CC(C)Oc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1289208478 XPAXAHDBUGGXSV-GUYCJALGSA-N 427.320 2.247 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)N(CC#N)C2CC2)c1=O 1292148336 ALMTVVQONPHBSQ-UHFFFAOYSA-N 439.310 2.264 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1292271610 DQUMIKZXDMYDMD-UHFFFAOYSA-N 431.562 2.381 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3OC)CC2)c1 1292771063 YZDQFCQNMMWCPN-UHFFFAOYSA-N 426.538 2.450 30 10 IEEE C#CCSCCNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1293737846 UPMDOYVZIVALOI-UHFFFAOYSA-N 436.533 2.465 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCn2cc(Br)cn2)cn1 1298806805 CTXZEXOLVIBTEA-UHFFFAOYSA-N 430.314 2.078 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)cn1 1298840256 GXMIRYJNYFWQLK-UHFFFAOYSA-N 441.517 2.173 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)CC 1300283104 LJEQVXAPRAUKFE-CYBMUJFWSA-N 440.367 2.105 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC(F)F 1300455237 HBKSPJOHKQXIBH-UHFFFAOYSA-N 430.415 2.162 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300498404 JZQIOKVFVTZFBV-WOJBJXKFSA-N 430.574 2.229 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300709681 AVDZNPYCRRVRIQ-HXUWFJFHSA-N 437.466 2.020 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC2(OC)CCC2)CC1 1300727054 VDLULFUUKHEXOS-UHFFFAOYSA-N 436.560 2.189 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1300767479 ZZSFXANGYWKSJE-JOCHJYFZSA-N 437.573 2.116 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1300960716 HGSVPXRXRUJJJL-UHFFFAOYSA-N 428.512 2.451 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC[C@H](C(F)F)N1CCOCC1 1303636087 HZBDRSBIZIDOHH-FUHWJXTLSA-N 433.507 2.358 30 10 IEEE C[C@@](O)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1303889356 CTEXPOGARLRPIH-WOJBJXKFSA-N 444.492 2.212 30 10 IEEE CC1(C)CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1303977216 DMNRZUSMSVCHRP-VXPUYCOJSA-N 428.537 2.152 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCCOC(F)F)CC2)c1C#N 1304730532 HEAYHMOCVHKPSV-UHFFFAOYSA-N 434.495 2.100 30 10 IEEE CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305590962 JGEONOKXPPSLJH-UHFFFAOYSA-N 429.408 2.004 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCCOc2cccc(C(F)(F)F)n2)n1 1312418596 RQLLSGDNMWRJTC-UHFFFAOYSA-N 425.411 2.167 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCC(=O)N(C)C)cc1 1315528007 DCSUWSAZSLBGMH-UHFFFAOYSA-N 426.521 2.474 30 10 IEEE Cc1ccc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC[C@H]2CCCO2)c1 1338528434 KJGLEOBDFOBMIE-GOSISDBHSA-O 448.590 2.446 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2c(C(F)F)nc3cnccn23)c1 1356458245 RCGSILMEAPOPBG-UHFFFAOYSA-N 439.422 2.154 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1358918908 KUBUSGRHDADEEJ-OALUTQOASA-N 428.581 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCOCC1 1358970905 AGDIRRUROMFEHS-MRXNPFEDSA-N 445.365 2.077 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)COC)CC1 1359047804 UHFXQMGCYGQZAP-DFQSSKMNSA-N 445.608 2.445 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1359060313 RCJWDLGEDMKVCB-UHFFFAOYSA-N 427.530 2.132 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1359112105 ZADYSRGFSOVKAF-UHFFFAOYSA-N 426.477 2.431 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359294337 QTHZWYCYWCZHFX-QGZVFWFLSA-N 430.940 2.396 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1359309194 KWIKYLCLMFLAIJ-WMZOPIPTSA-N 449.577 2.117 30 10 IEEE CC(C)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1360190938 HZRKFEZOKHYHJQ-RLBWVDARSA-N 449.515 2.024 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1360473849 BCYHUWWWZOZAIV-CRAIPNDOSA-N 444.609 2.317 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCOC1CCOCC1 1439586479 QNJNJPIDBHLFGG-UHFFFAOYSA-N 427.295 2.410 30 10 IEEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](C)CS(C)(=O)=O 1444057675 FDOYWFWSTCLVOX-JQCXZVQFSA-N 427.567 2.055 30 10 IEEE O=C(CSc1ccccc1C(=O)N[C@@H]1CCCN(O)C1=O)Nc1ccc2c(c1)OCO2 1450268019 JDBBYUKLQGJPME-OAHLLOKOSA-N 443.481 2.256 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccccc1 1452199635 FOKXBZVGVYELBN-UXHICEINSA-N 428.510 2.207 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OCC 1462158578 ZAASDCHIXQCGDB-GFCCVEGCSA-N 445.697 2.365 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C(=O)OCC 1463723265 CPQAQHQGTICVDG-AWEZNQCLSA-N 434.308 2.412 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1468183959 REJSMXBOUZBHIV-ZIAGYGMSSA-N 435.949 2.366 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1=O 1471079579 UVDHWDKARLJBNC-UZUQRXQVSA-N 426.517 2.046 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C(=O)OCC 1471581094 NNZOWLODNSNXMW-MRXNPFEDSA-N 431.518 2.174 30 10 IEEE C#CCN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCc2ccccc21 1472070989 PDIROBVOJQMGOT-QFIPXVFZSA-N 431.540 2.445 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)c1ccc(Br)cc1 1475334140 GQKSVKKHJDJKCY-INIZCTEOSA-N 432.303 2.292 30 10 IEEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1493694134 AKMMEXULJBEVLR-QZTJIDSGSA-N 442.589 2.172 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)C[C@H](C)O1 1499780399 ASIOBJFEQJGDAS-ILZDJORESA-N 429.521 2.394 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CSCCS1 1503103634 GTYZAVWRSXEYHX-KRWDZBQOSA-N 445.618 2.256 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1504749704 PAHYMVIABAWJSB-AUSIDOKSSA-N 435.532 2.332 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1507562817 OCQYHINLAXPPQW-SFHVURJKSA-N 425.533 2.287 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1507573236 DCYFCRUOCWRETB-WMZHIEFXSA-N 429.565 2.325 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507628760 IEWGCHZBMORNEC-KRWDZBQOSA-N 427.555 2.385 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1507632730 AHDIBNUCYUYRLS-ROUUACIJSA-N 444.605 2.268 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507634836 QBUDFRGNZPFWJX-LJQANCHMSA-N 435.638 2.369 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@@H]1C(=C)C 1507710490 PKDQZSQNXSMATP-OXQOHEQNSA-N 427.505 2.073 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)CC1 1507718100 BIJXVBOGNUIHKQ-UHFFFAOYSA-N 445.571 2.196 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOCCc2ccccc2)CC1 1507725355 UECQFUNYOQMBST-UHFFFAOYSA-N 433.560 2.083 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2nnc3n2CCCCC3)CC1 1507735823 HZLLEQXKFIEDEI-KRWDZBQOSA-N 438.580 2.124 30 10 IEEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)C1 1507782413 DRLHCIUZHAUWKN-UHFFFAOYSA-N 442.321 2.318 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1507971502 SKVFQHYTMXELGG-DEOSSOPVSA-N 441.576 2.433 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1507982654 PIPCGDGBKJFYOZ-CQSZACIVSA-N 428.518 2.041 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1507997681 DEANMRKJUZKKCU-LEWJYISDSA-N 438.532 2.420 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)C1 1508111471 FXOLELJOIRTTOY-OAQYLSRUSA-N 433.516 2.489 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(CCC(N)=O)CC1 1508135584 JSIVXXRTSQDGIA-UHFFFAOYSA-N 445.589 2.336 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508837967 CNISIQULMOHARS-QHCPKHFHSA-N 434.548 2.284 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCCNS(C)(=O)=O)C1 1510293080 QMBAWIXGSJNEMS-NRFANRHFSA-N 430.578 2.133 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1516042411 GUKSYIKHSXMJKE-UHFFFAOYSA-N 434.447 2.377 30 10 IEEE COCCOC1(Cn2c(-c3cnccn3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1519342938 AMXMKHRMQDGUJW-OAQYLSRUSA-N 441.536 2.077 30 10 IEEE N#CCOc1cccc(OC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 1525228925 ZFAFABFIYXPSJP-KRWDZBQOSA-N 442.449 2.132 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1528001246 VXWZYKXHOBUWRY-UHFFFAOYSA-N 438.303 2.450 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCOC1 1528029419 HAWFXRSXPMQYQT-HSZRJFAPSA-N 443.548 2.360 30 10 IEEE CCN1C(=O)C[C@H](C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)[C@H]1c1cccnc1 1536335801 MNBFNZKFIZJQFL-XGHQBKJUSA-N 438.484 2.398 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539231226 PYGGCRMSPGBWHO-RBUKOAKNSA-N 432.521 2.138 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC(=O)N2CCCCC2)CC1 1539469687 UJNHXPAFSJHZQC-SFHVURJKSA-N 428.581 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)c2nccs2)CC1 1539489778 NGLMROMZQJEXMY-NVXWUHKLSA-N 428.562 2.356 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1539595970 HSRJHNWUSRTNDO-LUXYFRNMSA-N 427.343 2.463 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1539731281 ZKAGCDCASPKGKE-ZBFHGGJFSA-N 447.552 2.353 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2ccco2)CC1 1539874187 BQDHHIXGGLUJCM-QFIPXVFZSA-N 429.521 2.356 30 10 IEEE Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1542101652 BRXKSJLDJPERAT-UHFFFAOYSA-N 430.559 2.220 30 10 IEEE Cc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c2ccccc2n1 1542183648 ADPHMVOHBYJDDT-SFHVURJKSA-N 435.532 2.109 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@]1(N2CCOCC2)CCSC1 1543784499 RAPPHJDBKNNCMO-LAUBAEHRSA-N 440.610 2.288 30 10 IEEE CS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1544565444 FRBXGLPKNFXHFK-QGZVFWFLSA-N 445.928 2.426 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H](C)C#N)CC1 1547703801 JSJUOBWXXKGADZ-IAGOWNOFSA-N 430.626 2.256 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCOC)CC1 1547771440 PEXUXZLAMAGWIV-UHFFFAOYSA-N 425.537 2.485 30 10 IEEE COc1cccc(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(N)=O)C2)c1 1548367512 HBPLBBMHQJJGIG-LJQANCHMSA-N 446.429 2.331 30 10 IEEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)N(C)C 1548375315 HSQQNTQVVIAOBI-SFHVURJKSA-N 448.449 2.213 30 10 IEEE COCCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555717960 WLBRNOZJOFOOLS-AABGKKOBSA-N 438.532 2.026 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCOCC(F)F)c1 1555988269 VQZUNFIVHFDCNH-LJQANCHMSA-N 446.502 2.399 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C 1557680494 MENONTYGUYONGL-UHFFFAOYSA-N 429.521 2.321 30 10 IEEE COc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)nc1I 1558676015 XUEYXDKHKCZAPJ-UHFFFAOYSA-N 440.266 2.409 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)c1ccc(F)cc1 1561590835 XWJPBJRFODZWMD-CYBMUJFWSA-N 439.266 2.292 30 10 IEEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 1585302977 MKNAGLFDXMKQOI-HOTGVXAUSA-N 436.365 2.199 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1587856120 HMMLNDZNJIPTJP-SFHVURJKSA-N 443.573 2.345 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1588029036 CMDFLHXFHARNDO-LJQANCHMSA-N 435.638 2.324 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588065035 RTHJQQUPZNUJQV-INIZCTEOSA-N 439.632 2.014 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588065036 RTHJQQUPZNUJQV-MRXNPFEDSA-N 439.632 2.014 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588068865 BAHMFHJCUZWUGC-IKGGRYGDSA-N 432.521 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C(C)C 1588124756 PZFBDJHFEGVBBL-UHFFFAOYSA-N 441.605 2.041 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(OCC(F)(F)F)nc1 1588140433 XJQUDPFIFVMOSA-QGZVFWFLSA-N 433.434 2.434 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N(CC)CC)CC1 1588930285 RQBJCEIPRNDOLL-UYAOXDASSA-N 430.597 2.216 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(N)=O)CC1 1589482081 FWPOIZKJYSXSRK-HOCLYGCPSA-N 442.358 2.003 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1594812655 IGTNPGGLRRGQJD-IRXDYDNUSA-N 432.525 2.459 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1595603228 ZXCCRFMQCKBWPO-HSZRJFAPSA-N 436.560 2.013 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1595723189 SQNJBMAVVFIFFJ-YPAWHYETSA-N 446.640 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1598266700 LFBWDRKLMSFFGY-INIZCTEOSA-N 425.482 2.156 30 10 IEEE C[C@H]1CN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1612873668 GYRVHCXBABKBHU-KURKYZTESA-N 431.585 2.140 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1613895998 JUJIFXUQXKACMS-MRXNPFEDSA-N 440.577 2.269 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1614868959 OJAOROTZCBONNJ-QTEQDKRBSA-N 446.596 2.312 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)CC1 1615957189 GINXDMJMZIBNNE-UHFFFAOYSA-N 437.548 2.363 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1617312402 COMTYIVYNUUQPP-MOPGFXCFSA-N 429.546 2.257 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](OC)c1ccc(F)cc1 1620110954 GXCFTDKWXCFYFL-NBYUQASBSA-N 445.495 2.258 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC2CCOCC2)cc1 1620349711 RNALTQNPPVDSOM-UHFFFAOYSA-N 438.532 2.104 30 10 IEEE C#CCN1CCCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1629542189 CNWXGRFVQCWMFJ-NRFANRHFSA-N 428.577 2.179 30 10 IEEE CC(C)OCCOC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1629776020 KXPOTBDZPNPOPO-FQEVSTJZSA-N 442.516 2.196 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1630276655 OQLIOKFALXUKLV-QVKFZJNVSA-N 425.526 2.342 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCCc4c3cnn4CCO)C2)C1 1632247553 XETZAVUHZFLHTI-UDCJOXCSSA-N 443.548 2.156 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1cc(F)c(C#N)c(F)c1)c1ccc(S(C)(=O)=O)cc1 1634151981 YEUKTFXQYOXWLF-FQEVSTJZSA-N 436.436 2.448 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)cc1C 1636316975 MWRSPERFZZHQSN-IBGZPJMESA-N 435.528 2.184 30 10 IEEE COc1ccc(N2CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)cc1 1636354522 ZLIJRQVBPKQNQC-QZTJIDSGSA-N 435.532 2.103 30 10 IEEE CN(C)C(=O)O[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1637027181 ATUKJWPVCGWKIH-QOQLHOOGSA-N 434.537 2.462 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1646214307 JEJFPNYMPGDXDG-KXBFYZLASA-N 435.546 2.101 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 1648119552 OFKCZUHFDFAVHE-XXBNENTESA-N 428.533 2.405 30 10 IEEE C=CC[C@H]1CCN1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1648553801 NVXNNRHIURZFAL-GZQZNAIASA-N 445.566 2.383 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1649538210 PDGHNRYEQDULBQ-AUSIDOKSSA-N 433.597 2.012 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)C1 1654968729 RPSWKRNHDOWKST-GOSISDBHSA-N 431.533 2.398 30 10 IEEE CN(C)[S@](C)(=O)=NC(=O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655766457 CYLHZBDYSVCJOQ-OTIAWEBGSA-N 431.349 2.190 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1656973619 IJOAZMNAPTXWOK-INIZCTEOSA-N 433.571 2.050 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(n3c(O)nc4cccnc43)CC2)c1 1664233984 ZFGCXRMIIWSAED-UHFFFAOYSA-N 441.513 2.079 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)[C@H]2C1 1669472026 GLCVTQSPRHCXCS-FICVDOATSA-N 442.335 2.464 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)C1 1671459530 SNXARXXRTPDBIK-GOSISDBHSA-N 448.566 2.139 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([C@H](C)CC)cc3)CC2)nn1 1673802637 HZJCQSZDDMSDLA-QGZVFWFLSA-N 446.577 2.194 30 10 IEEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CCO2)cc1 1675450073 KDOBSZPHQRWORE-PZJWPPBQSA-N 425.510 2.212 30 10 IEEE C=CCC[C@@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1686255440 LSOQOBJJKIOVHR-LSDHHAIUSA-N 438.491 2.096 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1689831861 SPHRFCSOLZZAAT-JPYJTQIMSA-N 435.532 2.406 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1689926872 ZMJVMXPFUMVBEB-HNNXBMFYSA-N 440.529 2.021 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1689993549 GQBKKJMHFCIGNR-GOSISDBHSA-N 441.582 2.195 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCCO)CC1 1690139832 BCALZMFAZJZQGF-UHFFFAOYSA-N 425.533 2.082 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1690265568 QDHPKNLPEPSKKG-SQNIBIBYSA-N 425.599 2.450 30 10 IEEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690287580 IUDLQFOSFHNGRC-LEWJYISDSA-N 432.613 2.327 30 10 IEEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690350398 IUWIFRWIOSSDSJ-KRWDZBQOSA-N 428.924 2.289 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690486621 OCTQBKWUQCETJB-LJQANCHMSA-N 430.578 2.234 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1690563365 OUVLIXHSIQKWGR-PKTZIBPZSA-N 428.533 2.274 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1690665946 URMHJCIPHWPJPI-QGZVFWFLSA-N 440.529 2.290 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1690681026 CXRMQWJVMBVTAN-UHFFFAOYSA-N 442.564 2.380 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncnn2C(C)(C)C)C1 1690712432 VRPBRBUQBQNMCJ-GOSISDBHSA-N 439.568 2.316 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1691006816 QKDDXEVQNZWXHL-ROUUACIJSA-N 447.584 2.278 30 10 IEEE Cc1c(Cl)cccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1692950527 WVVOZSMZUZYQEJ-UGSOOPFHSA-N 440.932 2.340 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1693187215 VMUWSFAEVUNERG-LSDHHAIUSA-N 428.518 2.419 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@@H](C)O1 1693827611 AIAGORYZASKGGN-HYFFOGBASA-N 427.505 2.148 30 10 IEEE CC[C@@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1/N=CC=CC1=O 1693995003 AAURNLTXLYOZNP-JPWUFHEYSA-N 446.943 2.341 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1694790507 VWLZNSQONTYEAR-FQEVSTJZSA-N 434.500 2.300 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1695916306 CNHICWYQUCTRIO-QFIPXVFZSA-N 444.511 2.470 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1698495300 MZPRPJNYMWRZBP-MRXNPFEDSA-N 434.953 2.407 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705560992 PIVFGBLEZUYIHF-WOJBJXKFSA-N 429.590 2.331 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1705569445 CWFYYTOEMUUBHM-LSDHHAIUSA-N 433.603 2.097 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(OC)cc2OC)CC1 1705641043 OGNSMBLGJAZZFQ-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)F 1705670408 SKUPXIBVVBBFAZ-OAQYLSRUSA-N 433.459 2.336 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1CC 1705858351 URPGIVOAYVVNOQ-UHFFFAOYSA-N 445.531 2.238 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705884122 GXHJKEFFPDCIAS-RBUKOAKNSA-N 437.610 2.389 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1708628036 BIOJZIVRWWHWFM-PXNSSMCTSA-N 440.548 2.105 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1711146674 BPYAEUOYFCNFPM-PCCBWWKXSA-N 441.532 2.274 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1712058581 GPAFFGLNCBORKT-MOPGFXCFSA-N 438.532 2.259 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1712219143 SRYUHNPYFITLFD-GOSISDBHSA-N 427.530 2.034 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722339600 XTUSWCZMHJSSLD-UHFFFAOYSA-N 426.565 2.043 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1722369329 XTSFERBHWVOQBM-MRXNPFEDSA-N 442.570 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCS(C)(=O)=O 1722395297 YBKOQMRJTHDPJQ-UHFFFAOYSA-N 436.541 2.233 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1722513497 XWPBAYNEBZFFRK-HSZRJFAPSA-N 438.532 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1722715449 NSJIZSAZOCTUJZ-AZUAARDMSA-N 441.557 2.423 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1726627088 GDEGVMBSKIBVGF-INIZCTEOSA-N 429.546 2.400 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1729299772 DMXSVLUUAQNXOW-UHFFFAOYSA-N 446.559 2.335 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)c(OC)c1 1730073733 RWGPCOBHAAAXMV-NHCUHLMSSA-N 431.468 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(CC)s1 1740540595 XLUDHCYXQJDHNE-ZDUSSCGKSA-N 430.559 2.269 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1740547742 AJCUEVZHDGQIRH-WMZOPIPTSA-N 443.552 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN(C)Cc1ccccc1 1740644849 WUERCROJQACAOO-UHFFFAOYSA-N 432.572 2.499 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1740692327 UVCRNBRNESHAAK-UHFFFAOYSA-N 436.947 2.409 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740720484 AFCMCAZWXOLWJC-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740885247 BTMJUWYKOGQLJS-SFTDATJTSA-N 433.597 2.313 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](C(N)=O)C1 1740954167 DIBKDCHEDXDLSU-GJZGRUSLSA-N 442.589 2.135 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)C1 1740985535 RNOLXOJWWYVENQ-UZUQRXQVSA-N 441.532 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740994361 QGMMVYHNVSTILI-WFXMLNOXSA-N 438.594 2.298 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1741030509 HWIYVQDSSGYDDY-YADHBBJMSA-N 436.560 2.441 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C[C@H]1C 1746375224 FMDYKZAKQQANNJ-AABGKKOBSA-N 437.592 2.456 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCOC2)CC1 1746467185 BACLOVMCIIKTQQ-OAQYLSRUSA-N 437.592 2.317 30 10 IEEE CN(CC1CCCCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747837185 UDAMSGFLFDGQHH-VZCXRCSSSA-N 436.520 2.278 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC 1748637617 DFRGPTKBTAKFQC-CQSZACIVSA-N 430.940 2.092 30 10 IEEE COc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H](C)N(C)C)cc1 1748662981 FZBDBKMXLONRFF-GOSISDBHSA-N 446.559 2.497 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1748671695 MNOQLWQNOMXBTF-GHTZIAJQSA-N 439.560 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748679312 AZKMVWZUYFRBDH-UNMCSNQZSA-N 436.604 2.464 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)[C@@H](C)CC 1748776311 DSAUHIVEKAEIAX-LPHOPBHVSA-N 433.578 2.326 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748820123 ZKEBPZQHLNYEKW-QAPCUYQASA-N 436.965 2.184 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@H]1C1CC1 1749053866 MZMURPHSWCFOEM-STRKUORWSA-N 435.594 2.086 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 1749105276 BDRNENZXASHZCN-UHFFFAOYSA-N 447.381 2.474 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749573831 VVVYZOUYZWQFNQ-MRXNPFEDSA-N 425.459 2.120 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749606216 QRHYYAPORVKXKE-LPHOPBHVSA-N 428.562 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1749666105 HLGNWYQRPUAGQY-QFIPXVFZSA-N 432.488 2.026 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1749761204 XRGMVHPCXDZWLC-GOSISDBHSA-N 426.546 2.363 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C 1750348532 IOAMRPRTALQYPG-MRXNPFEDSA-N 445.568 2.444 30 10 IEEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1751813915 UUPCWQXBNVFEFL-UHFFFAOYSA-N 439.545 2.029 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1760185557 ZDNQCDZRNDITIG-QGZVFWFLSA-N 431.562 2.172 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)(C)C 1760203610 KEKAZVDZZRXVQG-SFHVURJKSA-N 445.564 2.474 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(OC)CCC2)CC1 1760256928 MAAYEUKFFYSSBU-HSZRJFAPSA-N 431.581 2.033 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1760259875 QXMYTLFHHBNHFS-FPOVZHCZSA-N 427.524 2.454 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC2(OC)CCC2)CC1 1760271898 QKUGSTWLSKUYDK-UHFFFAOYSA-N 436.560 2.189 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1760311869 CMTPPDACEHOPTC-UHFFFAOYSA-N 441.351 2.309 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1760337797 VZKZRXJYPYOQPI-QGZVFWFLSA-N 449.577 2.304 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1760359274 DMSSOGVMKZUSBD-HXUWFJFHSA-N 429.569 2.085 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1760529449 GVEKCQKURKIHKJ-MJGOQNOKSA-N 439.516 2.232 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2CCCC[C@@H]2C1 1760557488 NBNCORGDSKWHJQ-OAQYLSRUSA-N 443.617 2.339 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1760866202 HTJUPYSJNMURPX-RXVVDRJESA-N 431.562 2.095 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC)C1CCCC1 1764823020 DFQYNKYRXKIGNT-UHFFFAOYSA-N 432.550 2.047 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1767230966 CGNLJSIMMZGVOE-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1768291378 NZHNERVPMTYNMB-SJORKVTESA-N 446.577 2.293 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CCN1CCOC(C)(C)C1 1769843286 FHHIZJGMWBAOKW-UHFFFAOYSA-N 427.553 2.126 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1770201902 GZMSWYCZZYJYGC-DHUIEDIVSA-N 446.458 2.222 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)OC 1770760714 CZDRMEMJVUVOAT-DHJUGAMNSA-N 441.532 2.252 30 10 IEEE COC[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1770764216 ZSOZEAVCZZQWPJ-HXUWFJFHSA-N 433.516 2.200 30 10 IEEE CCS(=O)(=O)C1CN(C(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)C1 1852195815 BAGHCTSIDCPAIE-NRFANRHFSA-N 437.521 2.291 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852234492 CBJZDDKPZYYEPC-SFHVURJKSA-N 429.521 2.018 30 10 IEEE COc1cc(C#N)ccc1NC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1852343694 OAWGUPUAGSLJJS-HZPDHXFCSA-N 428.489 2.221 30 10 IEEE Cc1cccc(OCC(=O)N2CCC[C@@H](NC(=O)c3cnc4c(C#N)c(C)nn4c3C)C2)c1 1852662815 IYLRRIIODYAUCU-GOSISDBHSA-N 446.511 2.326 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cncc(N3CCCC3)c2)cc1 1852771172 GPMTZXJWEHXRAR-HSZRJFAPSA-N 436.512 2.490 30 10 IEEE CN(C(=O)C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 1852784265 WACUUORZJIFSAG-CTNGQTDRSA-N 437.521 2.291 30 10 IEEE C=CCN(C(=O)Cn1c(=O)c2oc3ccccc3c2n(C)c1=O)C1CC[N+](C)(CC)CC1 1853459738 SEOJWJYIMLDLAP-UHFFFAOYSA-N 439.536 2.090 30 10 IEEE CC(C)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853961520 WAHJCMJGSXUCQM-UHFFFAOYSA-N 425.510 2.284 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)OC1=O 1855063193 UWAVTJHFGZMYER-MRXNPFEDSA-N 425.894 2.143 30 10 IEEE C=CCN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)C(=O)C1(C)C 1856392636 NXSLQBGJAYWNRC-UHFFFAOYSA-N 432.546 2.385 30 10 IEEE COc1ccc(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)cc1OC 1860861664 QBPLIIBNKBFADG-UHFFFAOYSA-N 448.439 2.290 30 10 IEEE O=C(NCCCCN1CCCC1)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869931990 OVIAYZLUDCCEHS-OAQYLSRUSA-N 440.569 2.459 30 10 IEEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N3CCC(O)CC3)ncnc21 1873595162 RCLAVQUONZZBEW-UHFFFAOYSA-N 426.565 2.184 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1F 1874436293 UUHUPPNPVWBQOM-BRJLIKDPSA-N 440.504 2.344 30 10 IEEE C=CCOc1ccccc1OCc1nnc2sc(CCCNC(=O)CCOC)nn12 1874804302 YUACACXDJAHEMH-UHFFFAOYSA-N 431.518 2.415 30 10 IEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)NCc4ccc(C#N)c(F)c4)C3)sc2c1 1890381700 QFVZHVANOANQRM-UHFFFAOYSA-N 444.513 2.463 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 1891031415 MBJKLJYULNFIAD-UHFFFAOYSA-N 438.495 2.033 30 10 IEEE Cc1nc(I)c(I)n1CCC[C@@](C)(N)C#N 1936400331 VCBKEFPSJFWWEA-SNVBAGLBSA-N 444.058 2.422 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1963875218 CGEJWQCSJLCXON-CABCVRRESA-N 427.542 2.332 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 2010150204 IAKUHSYEGKVGFT-LUKYLMHMSA-N 439.553 2.074 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)ccc1F 2174778794 BEFYDOIISHUUQO-KRWDZBQOSA-N 433.461 2.013 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2224073479 MQMPYKDXYXZBBL-WBVHZDCISA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H]2COC[C@@H]21 2254803914 VIFMFEYSVDIVFF-SJORKVTESA-N 431.342 2.205 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644672 BLXAMZPTRPTJHI-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C 2255833018 VZHWYZJPGOVQHG-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255882436 ONEOWKPFUMMNMZ-UHFFFAOYSA-N 429.326 2.216 30 10 IEEE C[C@H](Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2256893941 GOWXIPXDIDWBMO-ZDUSSCGKSA-N 437.321 2.302 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267005185 KVZVNAIAEAOVEP-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1ncc(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267014172 VCFCMYSVQGLGFK-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CCn1cc(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188045 GZUFULKAJHXZID-CABCVRRESA-N 448.373 2.093 30 10 IEEE C[C@H]1[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267215321 CKTWIYDFXDZHDS-GOEBONIOSA-N 446.357 2.294 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267489888 ZYCOCOAFWQBSHX-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267491466 DNICTIJPHTZOLI-LSDHHAIUSA-N 448.373 2.187 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502968 VZKMUAMNFOYFLH-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267521387 RLNIHSMAUHTFGC-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2267548579 HAOBHICRKJSONN-CABCVRRESA-N 446.357 2.197 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2267591729 HHTNQOPLGDQJNU-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)O1 2268636374 CGJXHMCZKRINES-CABCVRRESA-N 447.341 2.392 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2271959644 LCZFUGZHTDINIY-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE C#CC1(N(C)C)CN(C(=O)c2cc(I)ccc2Br)C1 2274573966 XSYGDZYOOAJNFG-UHFFFAOYSA-N 433.087 2.443 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)nc2)OC1(C)C 2282618779 OKQGESZZHWHSPY-DFBJGRDBSA-N 448.376 2.370 30 10 IEEE C#CCCN(C1CCCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286044677 YYHSVWBZDUPBJK-LJQANCHMSA-N 436.530 2.354 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2cccc(F)c2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296943093 RHDCMFAMVLFTLG-GOSISDBHSA-N 430.388 2.165 30 10 IEEE CC1(C)OB(c2cc(N3CCC[C@H](CNC(=O)C(F)(F)F)C3)ncc2F)OC1(C)C 2322308869 KTOIQFKUWCSEKJ-GFCCVEGCSA-N 431.239 2.415 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2cccc(OC)c2)cc1 2325424419 WNJMLYPLOWCVSF-UHFFFAOYSA-N 429.498 2.199 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335449617 BTDNUCSTRNEKEH-CVEARBPZSA-N 445.379 2.327 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337289371 IQBMVIPUJYUJKI-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 27560229 WNKHBRFGYQKAFP-INIZCTEOSA-N 429.590 2.135 30 10 IEEE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(CCC#N)CC3)cc2)n1 62040705 AVZXZNPHTJXINX-UHFFFAOYSA-N 428.518 2.150 30 10 IEEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(C/C=C/c1ccc(O)c(OC)c1)CC2 72142214 RGTSMXQOCIYKPW-DUMMIQTOSA-N 430.501 2.388 30 10 IEEE C=C1C(=O)[C@@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@@H]1C[C@@H]3O 257803709 ZVPVWNQCJBMJLV-KVAOYNKTSA-N 434.529 2.325 30 10 IEEE biogenic C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 409492236 PNISDZUIZRNTMA-CMPLNLGQSA-N 425.864 2.258 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1nc(C(=O)OCC)cs1 409826881 RBMLPCSWJVNGQN-RBZFPXEDSA-N 434.518 2.340 30 10 IEEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460757152 PIPDAKIIUGFUHI-UHFFFAOYSA-N 428.562 2.477 30 10 IEEE COc1cc(N2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)ncn1 461351914 RDJJQXKEYKCDQS-INIZCTEOSA-N 426.546 2.498 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 478678586 SHFPGBYFBQLAPG-UHFFFAOYSA-N 430.511 2.352 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)n1 483627194 ZPIAZOVFOWRLOO-GFCCVEGCSA-N 436.515 2.370 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1C 502539045 IOJKPRAVIPRDSJ-JOCHJYFZSA-N 449.573 2.398 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 519483115 OGHGOFUEGDTXCU-UHFFFAOYSA-N 426.542 2.432 30 10 IEEE Cc1occc1C(=O)NC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 533399956 HGOFFVZUXYXUGB-UHFFFAOYSA-N 432.484 2.478 30 10 IEEE COC(=O)c1cc(NC(=O)Cn2c(C)nnc2-c2cccc(C#N)c2)cc(C(=O)OC)c1 610035615 WVALSLJCOGAULC-UHFFFAOYSA-N 433.424 2.337 30 10 IEEE CC(C)[C@@H](NC(=O)CN1CCN(c2ncccc2C#N)CC1)c1ccc2c(c1)OCCO2 619510294 VXODWUZLIUDLIW-HSZRJFAPSA-N 435.528 2.360 30 10 IEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 685541569 QCHSNGPOWKXCJH-UHFFFAOYSA-N 445.589 2.262 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc(F)cc3)n(CCC)c2=O)cn1 735069683 ZCZBALNWZUSPJT-UHFFFAOYSA-N 439.516 2.207 30 10 IEEE Cc1cc(F)ccc1N1CCC[C@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1=O 735338905 CLCKGXHZLJMOSQ-SFHVURJKSA-N 445.472 2.023 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC(F)(F)F)c(=O)n1C[C@@H]1CCCO1 742144190 YRBXHGUYNIEFJK-HNNXBMFYSA-N 435.427 2.057 30 10 IEEE C[C@@H](CC(=O)NC1CCN(c2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742574348 MPJCIQTUUAUGJL-INIZCTEOSA-N 426.542 2.289 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)c(OC)c1 746768624 PFUVVBWFTDXMIW-UHFFFAOYSA-N 438.484 2.252 30 10 IEEE COc1ccc(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1C#N 747079451 LFGGXESRDBXNDC-UHFFFAOYSA-N 428.242 2.242 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 758063051 ZZZZQJHCGFZSNR-UHFFFAOYSA-N 434.439 2.212 30 10 IEEE C#CCN(C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)[C@@H]1CCS(=O)(=O)C1 773315567 WPCHAEAIBYBHCH-OAHLLOKOSA-N 444.538 2.349 30 10 IEEE C=CC[C@]1(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCCN1C(=O)OC(C)(C)C 790350306 LWGIFCKFPHJFSS-JOCHJYFZSA-N 433.553 2.233 30 10 IEEE CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NCCNc2ncccc2C#N)CC1 790538175 FAVQHNANVANTPZ-UHFFFAOYSA-N 439.495 2.385 30 10 IEEE CCN(CC)[C@H](C)CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1cccc(NC(C)=O)c1 794440776 JZRJOBZRSSPURU-KDOFPFPSSA-N 433.578 2.443 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1c(=O)oc2cccc(Br)c21 794634137 YYVVBDWGWFWJQW-GFCCVEGCSA-N 429.278 2.187 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 800772515 FYUQTLBODNLTHR-FQEVSTJZSA-N 440.548 2.049 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 800773072 AOQFVEISMWZZOZ-JTSKRJEESA-N 427.505 2.275 30 10 IEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2Cc2ccccc2)CC1 802167754 AFKKICQHPGGKMK-UHFFFAOYSA-N 442.571 2.256 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3)c2=O)c(C(F)F)n1 812274680 JCJGLHZUZQFSHE-UHFFFAOYSA-N 440.475 2.442 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 815477314 FAYVSGWBGDVDRI-VXGBXAGGSA-N 427.379 2.319 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCCOc2ccccc2C#N)C1 918767164 LEXBSGBKYOFTDR-KRWDZBQOSA-N 433.486 2.186 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)c1 1084373792 UKSPZLPVMGHSLK-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc4c(c3)OC(F)(F)O4)C2=O)cc1 1130067202 JLBBYPXCMMDBNN-OAHLLOKOSA-N 442.378 2.401 30 10 IEEE COC(=O)c1cnc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)s1 1134664103 HJFFWONKHMUVCP-GFCCVEGCSA-N 432.889 2.167 30 10 IEEE CCOc1ccc(N2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)nn1 1148537709 NPUUQHHUZUDZEO-UHFFFAOYSA-N 430.306 2.401 30 10 IEEE CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1cc(Br)ccc1C#N 1207990622 COQZLICABNWFQC-UHFFFAOYSA-N 431.400 2.215 30 10 IEEE C=C(C)CCNC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1221961836 MNUBOGZNPGQDCL-UHFFFAOYSA-N 425.551 2.370 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)Cc1cccc(F)c1 1286302792 OGSNZODSRGEUCT-QGZVFWFLSA-N 437.523 2.096 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286347300 KCGRKWUHZTYZEG-SFHVURJKSA-N 440.935 2.258 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286556079 NFLYQJJKVSZXRB-ZCNNSNEGSA-N 446.596 2.347 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC)CC1 1286651725 JJWQNUYBTBYMQD-OAHLLOKOSA-N 434.566 2.133 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1286709734 CROBRPRJFAROIX-GCJKJVERSA-N 429.496 2.059 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286787322 RMFVLTZBAQCMLA-KRWDZBQOSA-N 449.559 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 1286825548 SLMFZNZODSCBKP-WNRNVDISSA-N 440.610 2.411 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1286969068 DETDECNWWVVZRU-CQSZACIVSA-N 433.463 2.084 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1288997935 VUIRIHYXEZQOJX-CVEARBPZSA-N 448.449 2.499 30 10 IEEE CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1300020205 DTVZADLCQQMFSS-HXUWFJFHSA-N 426.542 2.136 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)CC1 1301085433 JYAANPPJFUWXQY-GOSISDBHSA-N 435.594 2.129 30 10 IEEE COCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1301167195 FYXOKQFRKSIERB-IIBYNOLFSA-N 446.577 2.213 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1301507064 VLXKMUBMZLCUNB-QFIPXVFZSA-N 445.571 2.277 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1301602678 ZWTINKQEXFLUAW-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCCC1=O 1305114773 GPSOOHLLNPHEFK-GOSISDBHSA-N 449.559 2.276 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1306484707 JCLUHZDLGCDZEH-ONEGZZNKSA-N 449.559 2.096 30 10 IEEE C=CC[C@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1313087593 GHTHKYOROSHREZ-MRXNPFEDSA-N 430.509 2.028 30 10 IEEE CCNC(=O)C1(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1313979391 DHGFTPJXHWRYCC-HTAPYJJXSA-N 432.569 2.363 30 10 IEEE CN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1314747384 AAZGERJXPZLVLB-XUTLUUPISA-N 448.462 2.037 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCCNS(C)(=O)=O 1315321770 HFBKVCBUMNCAAG-ZDUSSCGKSA-N 440.957 2.285 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1315531515 HOKGDPGXZZLALD-VGOFRKELSA-N 444.511 2.028 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1316289315 APYOZRGBFOHVSO-SFYKDHMMSA-N 438.532 2.279 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC(F)(F)F)CCN1C1CC1 1316538822 AQOAJFKHYRPQIK-QGZVFWFLSA-N 435.454 2.367 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1355325599 ARZSFUMQISVJLM-QGZVFWFLSA-N 443.548 2.312 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1358923666 WOJYDDJCYVUGOU-UHFFFAOYSA-N 433.560 2.221 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358959614 MITMKQFQCDKMOP-PMACEKPBSA-N 441.601 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)N(C)Cc1ccccc1 1358968769 YGECBWLZAMVALP-NRFANRHFSA-N 432.572 2.498 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nnc2n1CCC2 1358969015 DZJXVYKPFDHUDE-SFHVURJKSA-N 445.527 2.476 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOCC)CC1 1359040095 HYWOJPDTCAOBNM-KDURUIRLSA-N 446.596 2.231 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359056146 ZFGFPNKRKYWTAT-KSSFIOAISA-N 445.511 2.125 30 10 IEEE C=C(C)Cn1c(N(C)CCN2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125305 XLPPNCVCGBZZSA-HDICACEKSA-N 434.585 2.393 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359131835 GYNOMKXDSGTDAT-UHFFFAOYSA-N 439.564 2.349 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359148214 HUYXXINYTFQZRV-UHFFFAOYSA-N 441.927 2.393 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359242093 PGDSIBYRQRIVFI-PKOBYXMFSA-N 430.578 2.090 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1359259463 WSNIMIMSIVUTFA-XDBZFTIUSA-N 436.603 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(CNC(C)=O)CC1 1359330137 IKGPGMQYCFYKIO-UHFFFAOYSA-N 445.589 2.207 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCCC1 1456117102 YBKYLAGYCHFPPF-DNVCBOLYSA-N 435.546 2.101 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)cc1 1457063161 HGSORZJJQGIGNU-UHFFFAOYSA-N 433.574 2.217 30 10 IEEE COc1ccc(Br)c(C(=O)NCCCNC(=O)c2cnn(CCC#N)c2C)c1 1458931938 QYACAVYYVDGFEE-UHFFFAOYSA-N 448.321 2.426 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCCC[C@@H]3[C@@H]3CCCN(C(=O)C(F)(F)F)C3)nc12 1460392507 VKUJOUMJNUNURJ-CZUORRHYSA-N 436.438 2.462 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc([C@H]4CCC(=O)N4)c3)C2=O)cc1 1460939464 WRJOJCJDVWRWPT-MOPGFXCFSA-N 431.452 2.353 30 10 IEEE Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1C#N 1462689009 VUCULXYEIGNNMQ-QGZVFWFLSA-N 442.497 2.492 30 10 IEEE C#C[C@H](CCC)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1463628768 AAEDFCMFBNRFSX-LLVKDONJSA-N 435.283 2.466 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc2C1 1466903049 DQPKAFWTQVNVAV-BZPMIXESSA-N 449.533 2.302 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc43)C2)nc1 1470280737 ORAJGVXSZOTEIV-SJORKVTESA-N 425.514 2.110 30 10 IEEE C#C[C@@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1470662136 BYRUETYRWSDYRL-JKSUJKDBSA-N 428.352 2.237 30 10 IEEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1493777428 DJFWRGJCEWYVAS-KRWDZBQOSA-N 438.532 2.247 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)C1 1503676918 CZMLEXZIOUDFMI-IBGZPJMESA-N 448.369 2.232 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CC=CCO2)cc1 1505320483 ZWGAVJMIDRSFIX-IBGZPJMESA-N 444.486 2.461 30 10 IEEE C#CCCCn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1[C@]1(OCC)CCOC1 1507598362 DISRKDUJFVHRHG-QFIPXVFZSA-N 446.621 2.347 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507630345 XGMJWEBAJDJYAC-UYAOXDASSA-N 445.589 2.418 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1507632381 KNEJURUXKKGPFY-FQEVSTJZSA-N 428.558 2.103 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC(C)(C)C1 1507643473 MYGZJMLSTDETKT-UHFFFAOYSA-N 445.365 2.219 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC(F)(F)C1(OC)CCOCC1 1507651812 UDGUXFIXZPCTMW-UHFFFAOYSA-N 429.471 2.168 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCNC(=O)C(C)(C)C 1507677218 WCLDFYYRDLSCFI-UHFFFAOYSA-N 437.544 2.491 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C(N)=O)nc1 1507678378 WXUWPFDHYLLNMY-UHFFFAOYSA-N 431.500 2.149 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2C)CC1 1507716058 LZHMJNGHDQNRET-HXUWFJFHSA-N 436.560 2.045 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2ncc(C)s2)CC1 1507727043 NCTKNKFWGFNXLF-MRXNPFEDSA-N 438.605 2.464 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1510673521 MOSROENUVDRPKX-AEFFLSMTSA-N 430.578 2.341 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1514269233 AASNHZYHEWTJPM-INIZCTEOSA-N 438.536 2.218 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1519389458 IXDGYEQCFXKMKS-HSZRJFAPSA-N 438.532 2.119 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1519449914 OKDUSKPRDGVWCL-GJJHYRHESA-N 445.495 2.337 30 10 IEEE Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1527984223 IGBBYWAROYJXJO-HIFRSBDPSA-N 440.422 2.255 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccccc2Cn2ccnn2)c1 1534106662 YBJHIHZGOGKUMW-HIXSDJFHSA-N 438.513 2.392 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)cn2)cc1 1535588067 RYNDEPNRIZBQDH-HXUWFJFHSA-N 431.431 2.001 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539111204 OYOJSUZQNIJUHN-UHFFFAOYSA-N 425.581 2.078 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1539230945 MTYUUJIPBKOEOU-IBGZPJMESA-N 446.573 2.277 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1539416633 QRINNVQRYCBSNB-UXHICEINSA-N 439.560 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2nccn2C(F)F)CC1 1539470487 RJYBMJIMPREBPH-UHFFFAOYSA-N 443.458 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)OC)CC1 1539489662 VLGTWALBHAUEPB-IBGZPJMESA-N 439.560 2.475 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1539902254 CFJMAZKGONUNGO-KRWDZBQOSA-N 447.609 2.212 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccncc1 1540199362 ZFUQQHOPPYTSQA-UHFFFAOYSA-N 445.527 2.469 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(N)=O)c1 1541117515 HRMZYKXTPMTPEX-QGZVFWFLSA-N 442.527 2.454 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1544279476 ISSYWSODHRKSBK-KRWDZBQOSA-N 431.537 2.079 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1546854426 KOKIQSANNJGHNS-CECAUBDESA-N 440.552 2.057 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)C[C@H]1C 1547710425 MIYKMZRAZWWRTD-LJQANCHMSA-N 425.581 2.315 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1554980188 VLVALIVYVSAOPM-IAGOWNOFSA-N 435.431 2.019 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H]1C(F)(F)F 1555945358 FIIOYUGWFHUZST-IUODEOHRSA-N 442.467 2.001 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC)C[C@@H]3CC)nnc12 1558981603 ISERPZKNEJWXQG-INIZCTEOSA-N 440.573 2.265 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 1562248956 KXMPVPSOZKWOCO-NMWGTECJSA-N 432.546 2.272 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 1565629601 DDEAITYWZLNCLV-VZCXRCSSSA-N 443.866 2.410 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCCCOc1cccc(C#N)c1 1583704835 JYBCRQLRFSNZBS-SFHVURJKSA-N 436.530 2.075 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccccc3S(=O)(=O)C(F)F)C2=O)cc1 1584786674 CLVWREXLRZUHOD-QGZVFWFLSA-N 447.463 2.409 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1587851648 LMZPNYOIJYOZMM-ROUUACIJSA-N 439.495 2.182 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1=O 1588014716 SFXLAPLRHNMVQM-IBGZPJMESA-N 441.528 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1cccc(C)c1 1588180389 DPQQYSAOXQPOQL-RBUKOAKNSA-N 427.574 2.463 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1588271863 QHEGDSIMLPRFMR-QHCPKHFHSA-N 431.581 2.035 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1593931855 BAQHCRMSAZWRHB-OXQOHEQNSA-N 425.961 2.376 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NC)CC1 1594733870 ZGACZUCCRHLNFX-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1594943634 VDTZQLCHSMBIEC-QGZVFWFLSA-N 445.593 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1595778359 YEFRGIIYGBGERA-UHFFFAOYSA-N 449.552 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2)CC1 1595784101 CJVIHZIYLYLNKI-UHFFFAOYSA-N 438.557 2.268 30 10 IEEE C[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612767578 VUCRGUNDOQQVEV-NFFVOIMASA-N 435.532 2.417 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1614974724 IDOCIRHWWXLLAS-UHFFFAOYSA-N 432.532 2.460 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccccc2C)CCOC1 1616260787 FWAITRICRSXCDL-AVRDEDQJSA-N 427.505 2.046 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(=O)NCC(F)F 1616814874 HHSKXFRNRBOEDE-UHFFFAOYSA-N 448.474 2.115 30 10 IEEE CCOCc1nnc(N2CCC[C@H]2c2ccco2)n1CCN/C(O)=C1/N=CC=CC1=O 1616869805 JLJDDWXWBBUIJD-DNTCVELPSA-N 426.477 2.276 30 10 IEEE CCO[C@@H]1C[C@](O)(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(C)C 1618766083 XHAQFSRTKWVFJG-XLIONFOSSA-N 436.350 2.439 30 10 IEEE C#CCN(CC(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)OC(C)(C)C 1623997473 AYZGRQGZKLDDDV-UHFFFAOYSA-N 430.505 2.302 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OCC 1624252251 UWJZIHOCLJJKSS-CQSZACIVSA-N 428.894 2.044 30 10 IEEE C#CCN(CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(=O)OC(C)(C)C 1625332371 NLLYIDKFKNWEFZ-UHFFFAOYSA-N 436.516 2.245 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)ccc1F 1626297708 QQWOVEUMVHQOBV-UHFFFAOYSA-N 447.488 2.041 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)s1 1627976098 AHXKZFFZRBCDJF-CYBMUJFWSA-N 433.555 2.151 30 10 IEEE C[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C 1637309010 GYHBNEWWAWNUHD-APWZRJJASA-N 449.573 2.482 30 10 IEEE N#CC1(C(=O)N2CCC(n3nncc3I)CC2)CCSCC1 1640511961 TVFADAUZMJPGLX-UHFFFAOYSA-N 431.303 2.083 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1644638467 RWWXDGXBIIOFPX-LEWJYISDSA-N 428.577 2.226 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N[C@H]2Cc3cnccc3NC2=O)cc1OC 1644732271 POSGVOAJMPIZOC-SFHVURJKSA-N 426.473 2.299 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)c1 1652884028 PWUPKBOXDKADON-FQEVSTJZSA-N 448.566 2.153 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1669960310 YZSZMEISYRUTHR-LJQANCHMSA-N 449.511 2.488 30 10 IEEE C=C[C@H](COC)NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1680389383 KYTNLXKSXPUCKE-IAGOWNOFSA-N 426.558 2.077 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCNC(=O)c4cccs4)CC3)n[nH]2)cc1 1680844507 QMWTZIKSRPWGSS-UHFFFAOYSA-N 449.540 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 1682588326 PEUMPVDTDYZIIZ-RKDXNWHRSA-N 441.344 2.489 30 10 IEEE CCOC(=O)c1cc(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)on1 1684816622 LCQNYWYAYXDYSV-UHFFFAOYSA-N 434.456 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C(C)(C)C1 1685516644 CJUFUEJDFKDLDE-GOSISDBHSA-N 428.537 2.430 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689987668 AHBUHTYHBUNCHY-OALUTQOASA-N 432.521 2.309 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689990249 NFYYBSYTLCLFGS-DOTOQJQBSA-N 449.602 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1690053664 GFMFBZYBHQLKDU-UHFFFAOYSA-N 437.397 2.138 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1690077367 NFWOGIVQFXKEDW-SLFFLAALSA-N 435.638 2.398 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H](C)N1CCN(CC)CC1 1690192686 CGZUANHQAJTQCM-MIZPHKNDSA-N 432.613 2.020 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1690671349 UKRHWXCMOVWDPZ-FPOVZHCZSA-N 438.576 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc21 1690714500 NIRMCHYUTZIJDH-UHFFFAOYSA-N 438.513 2.220 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705658709 YAWOYTDGNBTTLJ-UHFFFAOYSA-N 448.531 2.439 30 10 IEEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705725335 UWDIUTSCSDUDDW-LJQANCHMSA-N 444.580 2.036 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cncn2)C1 1705899099 HYNPZOWXISLKGC-HNNXBMFYSA-N 426.912 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCCOC1 1705932764 KCJNBYIOHYBBEK-INIZCTEOSA-N 448.545 2.137 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1706070865 PYYWOEZLSAMHNQ-HDRCJFCASA-N 440.895 2.116 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1711073828 JLTGJLABNZSZAC-SFHVURJKSA-N 449.540 2.427 30 10 IEEE COC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1711482456 AVFJZRUELUODMX-UHFFFAOYSA-N 443.527 2.179 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)cn1 1711856387 FWDOEWJFHFBSBD-ZHALLVOQSA-N 426.521 2.377 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1712830280 VPXAUKMXBCIPIQ-UHFFFAOYSA-N 426.546 2.293 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1722289605 GKFVTVKCUFNDFJ-MSOLQXFVSA-N 443.552 2.250 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1722350209 QCGSOMUWFUKYGH-SSEXGKCCSA-N 426.546 2.074 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)cc1 1722425726 KFODKBVMLAKRSH-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2cccc(F)c2)CC1 1722433332 RAGHVMGPISLDAT-DEOSSOPVSA-N 441.551 2.457 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1722500522 CEMFTCCOKURWIO-AVRDEDQJSA-N 425.533 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722500649 MMRVWAGGKZNJAG-LMMKCTJWSA-N 426.583 2.199 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(CCC)CC2)CC1 1722573945 DHCOJPVZHHRYAX-KRWDZBQOSA-N 438.642 2.413 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C)C1CC1 1722645474 NYLRBDVEYZVELT-INIZCTEOSA-N 432.594 2.300 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1722700919 ZBSBFTWOALEDJB-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)NC)C1 1722710546 KOERSBJSGRCKIC-LJQANCHMSA-N 445.589 2.079 30 10 IEEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1723837360 DZWLKAOQUKILLL-KNQAVFIVSA-N 437.592 2.316 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1724009004 BAQDGARYBRTWOO-RXVVDRJESA-N 434.610 2.422 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1726828542 DCPKBXRAFRLSFO-FPTDNZKUSA-N 436.520 2.011 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1730483317 DXYCWOGNEZLGKP-IAGOWNOFSA-N 427.440 2.071 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CC[C@@H]2COCCO2)c1 1731180410 IGNRSBZFXJJCLA-GOSISDBHSA-N 432.475 2.009 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740578992 JENLUMASWLAKRW-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1740669419 ZCHPLMRXVPIOGZ-UHFFFAOYSA-N 435.532 2.051 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)OCC)CC1 1740694741 SEAQVESDUFRURP-UHFFFAOYSA-N 435.532 2.164 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1740698700 LDPDCEOBJMIEGV-SIKLNZKXSA-N 438.624 2.015 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740712591 NBTXHOHEACTNHN-GOSISDBHSA-N 435.513 2.453 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740746577 MEFCQCOJGPHJQB-JSGCOSHPSA-N 437.367 2.257 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1740979387 DPKVZPXPYULGAS-UXHICEINSA-N 446.573 2.156 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740980736 IZFSYYYZBNHROO-PKOBYXMFSA-N 446.573 2.094 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cn(C2COC2)nn1 1748799441 LSHDVGBSWJBWMM-UHFFFAOYSA-N 435.532 2.435 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnccc1OC 1748965736 VMBXYOTZYBYUBH-OAQYLSRUSA-N 435.484 2.329 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@H](O)C2)n1 1748971082 CBVMZEPZKQUIDM-SESVDKBCSA-N 442.564 2.163 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NCCC)CC1 1748977369 HJOQSMNKKFCROI-GOSISDBHSA-N 442.539 2.229 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)[C@H](C)CC)CC1 1748987584 YNECIFMQLWNLLQ-GOSISDBHSA-N 448.575 2.079 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCCNS(C)(=O)=O 1748990985 SZFHRPMICWKJFM-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1nncn1C 1749044769 UGTCEBMDEZNEJT-MRXNPFEDSA-N 428.591 2.470 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1749058586 LUBMONABSLAEGV-DENIHFKCSA-N 438.557 2.233 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCCCC2)CC1 1749329796 RTSFKOHNCWMYLE-QZTJIDSGSA-N 438.642 2.413 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1749464903 HSVMVLXUBGYFNZ-OAHLLOKOSA-N 449.581 2.089 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1749635063 UKBIXHGSAOEMDI-UHFFFAOYSA-N 437.592 2.267 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1749670578 UEDHSSKLXXESQJ-ROUUACIJSA-N 441.532 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC2(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1749739497 DFJUEWWCVSFXEO-HXUWFJFHSA-N 426.583 2.298 30 10 IEEE COCCOCc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1750080520 HPYDVRGIFCBESC-HXUWFJFHSA-N 434.500 2.280 30 10 IEEE CC(C)CSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1750874056 YWTNGEPGOHNCMS-QGZVFWFLSA-N 428.562 2.430 30 10 IEEE CC(C)OCCCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1751042039 NDIXAXBKUZVPKL-UHFFFAOYSA-N 434.504 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1760098470 SRJXDEOMUOZKHH-GVDBMIGSSA-N 449.552 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1760125506 ZROIQQHUKOSJLY-SJORKVTESA-N 432.546 2.291 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1760190263 VCMGQEITBUCMJO-INIZCTEOSA-N 436.484 2.432 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760307928 YGSIUDJQPSHIIR-UONOGXRCSA-N 433.372 2.094 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC(N)=O)CC1 1760517984 DKHHJRBTOVAEGX-UHFFFAOYSA-N 446.939 2.001 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(C)(C)C)CC1 1760525663 MTFDHKRSZDVOQM-UHFFFAOYSA-N 431.610 2.247 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1760548017 WLUDWPYRWWRMNI-CVDCTZTESA-N 441.532 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760551021 QUVUWDVCOYIEAX-WBVHZDCISA-N 441.598 2.317 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1760805118 DZJIHTJSFKLVIV-FOGNVHKLSA-N 435.525 2.272 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1761285823 OSLKSSAIEJRTDD-AJSBUHFISA-N 446.596 2.169 30 10 IEEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1766042355 AIVARFODLRMPKG-UHFFFAOYSA-N 434.504 2.284 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1766758068 AZPGKBMDBHHCCC-GWFNNPRDSA-N 443.573 2.216 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC 1767573499 ACXCFQBZYRGCMZ-OAHLLOKOSA-N 449.515 2.096 30 10 IEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1768012367 BGYJGHZZURYSHE-DENIHFKCSA-N 437.592 2.456 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1768273456 PWCIIDVUNISFKU-SFHVURJKSA-N 440.570 2.044 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccoc1 1768280952 JVKSGTYGJLKSRH-UHFFFAOYSA-N 428.518 2.376 30 10 IEEE O=C1C[C@@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccccc1F 1851526491 NJIAZHIMTMIQEF-CYBMUJFWSA-N 449.426 2.435 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCCS(=O)(=O)c2ccccc2)cc1 1851670225 NOKVAMUWYCHTQG-NRFANRHFSA-N 430.526 2.128 30 10 IEEE N#Cc1ccc(F)c(C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)c1F 1852314779 AAVUOCBAKBDNQK-OAHLLOKOSA-N 448.447 2.458 30 10 IEEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)C12CCCC2 1856262494 YNSCYAIFBKYOHW-UHFFFAOYSA-N 431.558 2.254 30 10 IEEE Cn1cc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c2ccccc21 1856830029 RAKVLINMKRNFJZ-KRWDZBQOSA-N 425.466 2.140 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@@H]1CCN(C2CC2)C1=O 1857071831 UQCGIQGSYCMUON-GOSISDBHSA-N 428.920 2.232 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1=O 1857151677 BDCLYJUTCJPMCD-KRWDZBQOSA-N 445.310 2.217 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4cccc(C#N)c4)C3)ccc21 1858415938 HUQPNUCHHGBZMY-SFHVURJKSA-N 438.509 2.117 30 10 IEEE C#CCOC(=O)Nc1ncccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1858699360 QYCXKRTUNGGROB-UHFFFAOYSA-N 435.440 2.079 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 1862569988 ZTKREGZNFRUXHZ-IBGZPJMESA-N 429.425 2.340 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862608787 WFQCWYODRPTMKK-BUXKBTBVSA-N 439.420 2.115 30 10 IEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc1 1862740214 PWULCONSRBPKIT-QGZVFWFLSA-N 426.381 2.254 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCc2cnc[nH]2)=C(N)Oc2c1c(CC)nn2C 1864323136 DGLJPTVESRWIDS-IBGZPJMESA-N 448.527 2.324 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@@H]2CO)=C(N)Oc2c1c(C)nn2CC 1865223890 HQFZSJMJUDQKGT-OXQOHEQNSA-N 438.528 2.454 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3cccc(C)c3)cc2C1=O 1870141989 VIVYKJLSQIQUTK-UHFFFAOYSA-N 444.451 2.332 30 10 IEEE C=CCn1nc(C)c(I)c1C(=O)NC1CCN(C(=O)OCC)CC1 1871329789 LRTKUXYPGHXETP-UHFFFAOYSA-N 446.289 2.333 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(OCC)c(OCC)c2)cc2c(=O)n(C)c(=O)n(C)c21 1873597414 GJXHOEVEHYDDLG-UHFFFAOYSA-N 426.473 2.274 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)C2)c1 1890119675 CCKSXCOBXPWGGA-ICSRJNTNSA-N 440.525 2.176 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)CN3C(=O)c4cccc5cccc(c45)C3=O)C2)c1 1890820141 ASBHOZDUWANJKO-KRWDZBQOSA-N 426.432 2.382 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 1899553222 GMYXESZELMUKAA-CQSZACIVSA-N 428.275 2.253 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1908191094 UYDSNJARQSJPLS-BBWFWOEESA-N 439.553 2.027 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1909081254 IBGCOQCHKPWHKL-JEZSTIGHSA-N 439.553 2.475 30 10 IEEE C=CCC1(NC(=O)[C@@H]2C[C@H](O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022847750 CTZYRNQRNQRHLF-CVEARBPZSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2070037879 TYZGJQVEZXENGW-JOCHJYFZSA-N 436.358 2.430 30 10 IEEE CC1(C)OB(c2cnc(N(CCS(C)(=O)=O)C3CC3)c(Br)c2)OC1(C)C 2172779063 XQTATSDTGHJIBX-UHFFFAOYSA-N 445.188 2.157 30 10 IEEE CC(C)(C#N)CS(=O)(=O)N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2174786303 IPLOAQUFBBCENH-SFHVURJKSA-N 435.546 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248419582 DCNADHYYDGPYIA-GFCCVEGCSA-N 439.343 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827283 IEPJHQZEJRGTKI-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2255871853 ZYADVNQTDVVQFR-UHFFFAOYSA-N 431.342 2.416 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255872817 DUSQZAXMQZQPIL-HUUCEWRRSA-N 433.358 2.215 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256062161 QWGOISCIKQBPBW-CQSZACIVSA-N 434.346 2.199 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267009535 OSSRSRQEADTWIF-AZUAARDMSA-N 436.365 2.066 30 10 IEEE Cn1ncc(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267013407 KATGRCHWIDTRKR-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267096580 UDNLQDUQHKLGNF-IJEWVQPXSA-N 446.357 2.084 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267128119 NQYUVMXZCIDQHB-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267140918 GHHWYGRGOIPKSQ-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2267152751 ORDNCGNOWCPDCN-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1NC(=O)OC(C)(C)C 2267267375 WAWFDPFPWCJTAK-QZTJIDSGSA-N 446.353 2.350 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267496986 HIPAZXQKNAJLAZ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267503416 CVXNFYNBZYLTRC-LJQANCHMSA-N 438.381 2.280 30 10 IEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267503418 CWAMOHCEIQWWBO-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)n1 2267524266 NMGWGERASNDWME-GASCZTMLSA-N 446.357 2.036 30 10 IEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267527297 FMMBPSBCEOJJJA-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2267584620 JIJLSOZTTGODHB-MSOLQXFVSA-N 446.353 2.004 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2267590110 KLOIUTWTXJYAEG-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2267604156 LCZCNTSXLVOPJJ-KRWDZBQOSA-N 440.353 2.324 30 10 IEEE CCCC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267872220 HXOPCOBJUQFFBK-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268712853 UTFURTCITJFGGJ-ZBFHGGJFSA-N 447.341 2.344 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271376671 WDBHDRIDFRPYMG-GOEBONIOSA-N 446.357 2.294 30 10 IEEE C[C@H](CC[S@](C)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306393 MPUUNXZBUMDVAP-JUTIIYIPSA-N 441.833 2.136 30 10 IEEE Cc1cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc(C)c1C#N 2286042466 XSTBQDHZBMBXGO-SFHVURJKSA-N 431.470 2.296 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2296228083 VTKIQICMVBFETH-PXNSSMCTSA-N 439.350 2.387 30 10 IEEE CCOc1cc(C=Nn2c(CC)nnc2SCC(N)=O)cc(Br)c1O 2320974724 FJIIUPUAVZNQPM-UHFFFAOYSA-N 428.312 2.167 30 10 IEEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc(Cl)c1 20292263 YQLOTXZCOFFLKL-DNTJNYDQSA-N 433.881 2.233 30 10 IEEE N#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)cc1 21113532 GQJIARDYVJDWQX-UHFFFAOYSA-N 436.493 2.439 30 10 IEEE C=CCN1CCN(c2ccc3nnc(CCc4nc(-c5ccc(OC)cc5)no4)n3n2)CC1 33279898 BBQBZUJFTSCDBX-UHFFFAOYSA-N 446.515 2.276 30 10 IEEE N/C(=N/O)[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 61888095 HIERAHBOEKIDRQ-WCBMZHEXSA-N 441.145 2.405 30 10 IEEE C#CCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 111046841 IJFSJCBCRLVRQD-NVXWUHKLSA-N 431.539 2.141 30 10 IEEE COCCCN/C(=N/N)Nc1ccc(Br)c(I)c1 302300090 BHNPKZGEGYITRO-UHFFFAOYSA-N 427.084 2.321 30 10 IEEE Cc1c(NC(=O)CSCC(=O)Nc2cc(C#N)ccn2)c(=O)n(-c2ccccc2)n1C 436000404 LDPWCHPFAPAXIF-UHFFFAOYSA-N 436.497 2.062 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 460563792 VMGGDFHCYZLJOE-FPOVZHCZSA-N 425.533 2.394 30 10 IEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cc1Cl 476577509 IQUKJJNJHYDFLE-WBVHZDCISA-N 425.876 2.203 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481979146 GSUWEHZIANVKEH-OAHLLOKOSA-N 427.551 2.140 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 482433084 FEHSBBNYRPRLMS-QEEYODRMSA-N 431.489 2.353 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501548737 LSKYYEKIGJLYFR-SFTDATJTSA-N 432.524 2.431 30 10 IEEE N#C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)C1CC1 505937262 FJZFZEHMWLVRGZ-VXGBXAGGSA-N 432.365 2.330 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 527178677 QPSXXDQTKQVAFE-KBPBESRZSA-N 446.495 2.004 30 10 IEEE CSc1nc(O)c(C(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)cc1C#N 569718482 PDIMHKMPCIJZRT-UHFFFAOYSA-N 425.558 2.271 30 10 IEEE COc1cc(CNC(=O)CNC(=O)c2ccccc2I)ccc1C#N 577252197 VTICERHAYDEPSN-UHFFFAOYSA-N 449.248 2.218 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1Br 579772449 FLWNBHDXWDVFSH-GFCCVEGCSA-N 440.298 2.197 30 10 IEEE C=CCOc1cc(NCC(=O)NCCc2ccc(OC)c(OC)c2)ccc1-n1cnnn1 586269335 SRYUVNQGPYGTSA-UHFFFAOYSA-N 438.488 2.015 30 10 IEEE CCc1nc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 609550535 FFPKWOVIIOTZEP-CQSZACIVSA-N 433.559 2.354 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C(=O)O)c1cccc(Br)c1 614333876 KHVKVNINKSOWEV-OAHLLOKOSA-N 425.260 2.434 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1Br 618958968 FZYHZRDTIQKSKX-UHFFFAOYSA-N 436.335 2.427 30 10 IEEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1C[C@@H]2CC[C@H](C1)O2 670221075 KOLSYNKIMOYMSF-OYRHEFFESA-N 436.560 2.180 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC34CCOCC4)nnc12 683433865 QVKDCFUTOZVKNV-UHFFFAOYSA-N 425.514 2.104 30 10 IEEE C=C(Br)CS(=O)(=O)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 704594302 ALLZNEHPDPEUGV-SFHVURJKSA-N 428.396 2.117 30 10 IEEE COc1ccc(CNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C#N 746771163 ATWUSEKZRUQHAB-UHFFFAOYSA-N 442.541 2.360 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccc(Cl)cc3)c2)c1=O 758061266 BUESAXJAGQHURD-UHFFFAOYSA-N 448.935 2.254 30 10 IEEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)F)cc1 762493827 GKZFTWVKCVNABD-MRXNPFEDSA-N 438.500 2.311 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(Cc2ccn(C)n2)C1=O 765544291 ODXPOQOWKVAERE-CQSZACIVSA-N 437.428 2.009 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 766976363 FDRCDPWEINUENF-CQSZACIVSA-N 445.522 2.147 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cc1 768759446 YSPUHAVRAHMPQV-DLEIPIOBSA-N 442.488 2.132 30 10 IEEE C#CCN(C(=O)Nc1ccc(F)cc1I)[C@@H]1CCS(=O)(=O)C1 774047692 WAHYHYBSKMWUGJ-LLVKDONJSA-N 436.246 2.085 30 10 IEEE C#CCN(C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 774338753 AWZNDZFELRNPQD-KBRIMQKVSA-N 443.363 2.357 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)cc1F 784126257 QATDSXMHFCETCM-KRWDZBQOSA-N 435.525 2.137 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 784509742 DCEZKSVCFCVMHF-BZSNNMDCSA-N 425.514 2.299 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnn(CC(F)(F)F)c2)cc1C(F)(F)F 786927336 VPEHITIEIXTTCA-UHFFFAOYSA-N 426.298 2.455 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 789009238 YEWAOZABEWXVLV-GOSISDBHSA-N 433.553 2.464 30 10 IEEE C=CC[C@]1(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CCCN1C(=O)OC(C)(C)C 790690567 QJXWTBBVTGHNFU-FCHUYYIVSA-N 434.537 2.169 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)n1 790921169 MLXHSEXSXQQVKK-UHFFFAOYSA-N 439.560 2.348 30 10 IEEE CC(=O)NCCn1c(-c2ccc(S(C)(=O)=O)nc2)csc1=Nc1ccccc1C#N 803181364 IHWKOCCHTZAKMP-UHFFFAOYSA-N 441.538 2.255 30 10 IEEE C[C@@H](F)CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 814708248 FCIQKIYFXQZVQS-IUODEOHRSA-N 444.492 2.284 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2 817515287 KFNYQNZSIFYFLJ-UHFFFAOYSA-N 431.537 2.195 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)n1 856585788 BNQFJLZPTIPLIB-KRWDZBQOSA-N 444.435 2.281 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 858042267 OAGGJPSAPSXYOK-QGZVFWFLSA-N 440.525 2.068 30 10 IEEE COC(=O)c1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(C)cc2)n1N 1084644472 XFVBWVRERBEDLI-UHFFFAOYSA-N 439.501 2.264 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1130455830 IPISUKVYSJGYKJ-UKRRQHHQSA-N 440.422 2.483 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 1136547996 SHALPJHZJHRGJB-UHFFFAOYSA-N 430.448 2.157 30 10 IEEE COC(=O)c1cnc(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)s1 1157907219 OCHOENGCTABGSP-YZGUTLMUSA-N 448.545 2.375 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C2)c1 1168642168 IXNVWWHQGFWQLU-SFHVURJKSA-N 430.555 2.486 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)c1 1171910738 RSPMXYCXHHVBOI-QFIPXVFZSA-N 440.565 2.423 30 10 IEEE COC(=O)Cn1cc(CCOc2c(Br)cc(Br)cc2C#N)nn1 1190200619 ALKWUWJDHGRNPQ-UHFFFAOYSA-N 444.083 2.469 30 10 IEEE N#Cc1ccncc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 1212017293 CJKGQCJGDMEOJF-UHFFFAOYSA-N 445.932 2.392 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286394452 ORGATOVDPGAXTO-PXNSSMCTSA-N 430.574 2.205 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN(C(C)=O)C1 1286408751 IZQMDPHJKCACEK-SFHVURJKSA-N 425.483 2.478 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@H](F)C2)CC1 1286492376 JJFADAOMZKJVBG-QUCCMNQESA-N 441.555 2.244 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1286568904 YPSGUPYSSBRCGJ-MRXNPFEDSA-N 431.566 2.295 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2n[nH]c(C)n2)CC1 1286639618 BATVHVIAAKXGJD-UHFFFAOYSA-N 427.534 2.174 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)CC1 1286645132 WBDDMWOPMQLDJC-UHFFFAOYSA-N 435.532 2.217 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCO[C@H](C)C2)C1 1286807259 ADFNRSUAFKYPHI-MOPGFXCFSA-N 427.553 2.017 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286832702 NKQBZKJHCJYKOA-NVXWUHKLSA-N 436.607 2.174 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1288099404 AMAADZNCSPNVFA-FQEVSTJZSA-N 448.886 2.331 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 1290213918 GYLOXZWUYVGWEO-UHFFFAOYSA-N 429.429 2.024 30 10 IEEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CC2)n1 1290901499 BFICGBXTGDGXCB-DLBZAZTESA-N 449.563 2.342 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)C1=O 1296840422 AYANVTBCYHDMCY-CQSZACIVSA-N 436.459 2.216 30 10 IEEE CN(C)c1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)cn1 1298053647 SFTOQPDZRZQCDH-GOSISDBHSA-N 434.460 2.091 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCN1CCOCC1(C)C 1298283569 HPYHGNVQUGAIMU-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1300311330 SBEQKONJBFEOAF-QUCCMNQESA-N 445.589 2.092 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488536 DYGIHMGDZFPENE-USXIJHARSA-N 430.530 2.170 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300489381 NDLHJYKYVGBGEQ-CRAIPNDOSA-N 435.981 2.175 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)F 1300619081 QSSTVEXBLSWFEZ-UHFFFAOYSA-N 426.493 2.327 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300762935 SALCHNMNTUHFLW-MOPGFXCFSA-N 446.621 2.468 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300913115 QZAOBRDZGFWDOP-GOSISDBHSA-N 447.561 2.114 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300952289 PXOIWJAWYCIBSL-ZHRRBRCNSA-N 446.552 2.022 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1301173968 MKOGFATWHDEKCX-AEFFLSMTSA-N 425.599 2.498 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(=O)N(C)C 1302119505 ZIUACNWRFSCUCC-RLLQIKCJSA-N 440.548 2.224 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)N(C)Cc1ccccc1 1303711504 FBJSKFXXZBHJAX-RADWXHQJSA-N 425.512 2.192 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1305058973 KGYUFVXHOXBZRG-KRWDZBQOSA-N 430.578 2.172 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CC(F)(F)F 1305123489 XLSXDIVCCZTDGT-KBPBESRZSA-N 436.442 2.111 30 10 IEEE C=C(C)CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)Cc1ccccc1 1307740999 KZUNBGKYCIIMHK-UHFFFAOYSA-N 432.524 2.439 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1 1309481000 JAHRUNWAFMKUJT-UHFFFAOYSA-N 433.338 2.232 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCC2)CC1 1313988919 VVEJBCSNCZJDPQ-FQEVSTJZSA-N 433.560 2.431 30 10 IEEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1314756580 FITHMWFBXAKEMW-KRWDZBQOSA-N 440.529 2.328 30 10 IEEE Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1355061658 RJSKWPPFQAZCGB-OQKWZONESA-N 448.505 2.331 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1358950709 WGKHQXZDFKZLFO-UHFFFAOYSA-N 441.532 2.241 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C)n(C)c1=O 1358976254 WRAZCYATXUXTSQ-UHFFFAOYSA-N 437.507 2.259 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359054583 AHXGGCJZYNSGMC-HNNXBMFYSA-N 429.550 2.205 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1359066398 ZIGAJYBWIDTDNR-JOCHJYFZSA-N 443.573 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H]1CC 1359091020 IMEODUMCSKMYRC-WKULXVSPSA-N 425.599 2.494 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359288454 FNIBJTAMBYRWBD-WOJBJXKFSA-N 437.592 2.076 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1359367283 HEEXICLDCXPAOQ-LJQANCHMSA-N 436.564 2.253 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN[C@@H](c4ccc(F)cc4)C3)C2=O)cc1 1455439653 CBUVLTQFVVBVHV-WOJBJXKFSA-N 435.459 2.075 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCN1C(=O)CCC1=O 1464848408 KQSZCIMCCQAROC-HXUWFJFHSA-N 440.500 2.048 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 1467663997 PYIJGPVPTJPKSL-AWEZNQCLSA-N 431.942 2.295 30 10 IEEE C#C[C@@H]1COCCN1C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1468880650 CAGPVGDLPAZBTA-UYAOXDASSA-N 432.567 2.100 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)c1 1468965704 WZLGEVGOOOYZCR-UHFFFAOYSA-N 434.539 2.295 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1470234969 NKNYBLZSRNNHAO-MRXNPFEDSA-N 431.489 2.230 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 1471040731 DXXCHRLDOXNTNX-QAPCUYQASA-N 443.529 2.045 30 10 IEEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1cccc(C)c1 1472921311 NUGFGNVQFTWLHN-UHFFFAOYSA-N 449.602 2.072 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](F)COC)C2)CC1 1502334612 LRQIUDMVDDTEKK-SFTDATJTSA-N 441.555 2.017 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNc2ncc(Cl)cc2Cl)cn1 1503652645 FHRBKEVBKKGSIA-CQSZACIVSA-N 448.318 2.221 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1504600655 ZLQVZKNOVGJXKQ-LJQANCHMSA-N 428.512 2.102 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1507548963 XCRZZMYTHNOBCL-ZACQAIPSSA-N 428.541 2.189 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1507619465 MSEFYMORYGVCFB-ROUUACIJSA-N 432.569 2.140 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1507635905 WDNCRSZKXLBIFQ-IRXDYDNUSA-N 436.628 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1507763374 BGXSKNQFPJJJLW-IFXJQAMLSA-N 434.591 2.046 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507962342 QVTXVTPXGOWHRU-SFHVURJKSA-N 435.532 2.390 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1508020089 NNIQAPPYGGCWGY-IRXDYDNUSA-N 441.623 2.075 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(C)C)C1 1508091514 UZTABMINCWBWDA-LJQANCHMSA-N 438.580 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1508144976 ZKCOJMBUIYRISP-HXUWFJFHSA-N 433.509 2.208 30 10 IEEE CC(C)(O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1508718684 PRYNQUKZJWCUII-SFHVURJKSA-N 443.573 2.196 30 10 IEEE Cc1noc(CCCn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)n1 1511956783 TWQXCKMIFCVDSW-UHFFFAOYSA-N 435.536 2.394 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1512105267 HZCJIGJOQQFCME-IIMDRIAPSA-N 436.626 2.429 30 10 IEEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1513520219 DSUXPMWLSNIVDF-RBUKOAKNSA-N 438.532 2.230 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1515299887 HIJMZZMKLTXGGD-GOSISDBHSA-N 438.532 2.180 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)c1ncc(C)s1 1519449125 KMMRHKKGPZBMGX-IWCQGFGOSA-N 432.550 2.300 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1529728116 YLZSZDRVZGQJQK-FUHWJXTLSA-N 444.532 2.452 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1539461573 HXOGKVTZHOIIKK-UHFFFAOYSA-N 449.534 2.261 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539603793 YJFGTXMYGRZZFI-ZDUSSCGKSA-N 431.381 2.462 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 1539641195 DFZMZHMOYHXHFX-BJLQDIEVSA-N 428.537 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 1540549910 BNSJLDATHQYMFP-AUSIDOKSSA-N 428.533 2.157 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1540874401 FTTJKYLICZSVHL-JXFKEZNVSA-N 436.516 2.035 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(N(C)C)cc2)C1 1540895307 PIVXIOUFKFKUFR-OAQYLSRUSA-N 438.576 2.491 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540913089 OAESTAAIAYOJKW-XLIONFOSSA-N 443.621 2.181 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1545497539 LBZQQJRWONEVLF-AJNAEEPJSA-N 428.537 2.466 30 10 IEEE CCCN1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1547192886 FGRLIZFWWPMMRZ-MOPGFXCFSA-N 434.610 2.185 30 10 IEEE CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1552716233 BYIIYGFQLULRMP-UXHICEINSA-N 438.532 2.100 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(C)CC2)CCN1S(C)(=O)=O 1555953768 GWQYMTQCJCTGNJ-INIZCTEOSA-N 428.562 2.477 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)c1 1557582317 QXSQJWUYDFLAHL-UHFFFAOYSA-N 436.493 2.342 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)c1 1559387449 WLOOUOOBBDNZED-QHCPKHFHSA-N 434.452 2.100 30 10 IEEE Cc1cc([C@H](CC(=O)N[C@@H]2CCCN(O)C2=O)NC(=O)OC(C)(C)C)cc(Cl)n1 1569675966 LTXQAZFRPGMRRJ-KGLIPLIRSA-N 426.901 2.496 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(COCCO)cc1 1570518440 VNNUCNMSQALVED-IBGZPJMESA-N 445.541 2.287 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C 1583291475 MAFHEMIEJOPGPJ-CABCVRRESA-N 426.510 2.073 30 10 IEEE N#CCc1ccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)cc1 1584773520 DADRMMMHQPPVOT-UHFFFAOYSA-N 444.236 2.263 30 10 IEEE CC(C)C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)N1CCOCC1 1585923370 ARGAHWUISVPBME-KRWDZBQOSA-N 438.322 2.089 30 10 IEEE Cc1c(C(=O)NCC(=O)Nc2ccc(I)cc2)cnn1CCC#N 1587274274 UVIXYIQLRGJNHP-UHFFFAOYSA-N 437.241 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1587561061 ALDKEALGKCEWEQ-STQMWFEESA-N 425.555 2.256 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccsc1 1587970391 WJFFGFHUPOANSB-HXUWFJFHSA-N 444.586 2.277 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1587989680 MOCZYCPWVOAOIJ-OAHLLOKOSA-N 442.463 2.239 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@@H](C)C1 1588154448 CRTJOLNXBFOMCY-NRFANRHFSA-N 445.571 2.090 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCCN1CCCO[C@@H](C)C1 1588628071 DSCKVGYQWGQWLJ-FQEVSTJZSA-N 426.565 2.235 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC)C1 1593703675 MGRACOKOLUEVBV-HNNXBMFYSA-N 440.342 2.480 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1595551574 RXQNSYNQYMITEJ-KGLIPLIRSA-N 437.953 2.377 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)cc1 1595608354 ROYXPPMWPGRKRL-UHFFFAOYSA-N 433.516 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1595760143 KVMLZWQIIDLWJJ-IERDGZPVSA-N 444.561 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)[C@@H]1C 1595812314 QTAWHFQELZQUOH-AWEZNQCLSA-N 439.607 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C)CC1 1595824078 WQDXLADFPKDDBT-UHFFFAOYSA-N 435.575 2.027 30 10 IEEE C#CCN(CC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(=O)OC(C)(C)C 1597109936 RWCKTDQWALMAFC-HNNXBMFYSA-N 426.922 2.497 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1597947964 PGMZDXCEDGATJO-UHFFFAOYSA-N 432.475 2.403 30 10 IEEE C[C@H]1CCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1612816966 GAYFLGJKKVAQOX-PXNSSMCTSA-N 442.589 2.173 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1615670323 MWVUOEFTBYJCKV-LJQANCHMSA-N 449.596 2.167 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2ccccc2F)CCOC1 1616260126 AVUWOJKDSWTIJT-PGRDOPGGSA-N 429.496 2.431 30 10 IEEE C=CCOC[C@@H](NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)C(=O)OC 1617949508 FQJSWGWXDPQDER-QGZVFWFLSA-N 434.489 2.290 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2ccccc21 1619912625 HVVLQFSNGWPWHL-RBUKOAKNSA-N 443.573 2.277 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1620351051 UZACUQDUJOVXJS-KRWDZBQOSA-N 447.465 2.170 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccccc2F)CCO1 1620356479 ZOJGPEXQOJUIRT-DOTOQJQBSA-N 430.509 2.030 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@](C)(C(F)F)O1 1620435700 FFLYEJXQZWTBLG-SPLOXXLWSA-N 449.458 2.199 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1624618218 WEFYFEPEPCWTSP-UHFFFAOYSA-N 429.473 2.030 30 10 IEEE COCCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1625752465 ULVFACMRDFDKTH-INIZCTEOSA-N 428.876 2.301 30 10 IEEE CNS(=O)(=O)Nc1ccc(NC(=O)COc2cccc(Br)c2C#N)cc1 1626381524 DHEMDRGMBDVEMV-UHFFFAOYSA-N 439.291 2.214 30 10 IEEE C=C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1630164844 VKAFAIGNGWAEJQ-GFCCVEGCSA-N 425.850 2.326 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NCc2ccccc2Cl)CC1 1632966398 PDBAFWBRUPWJDS-UHFFFAOYSA-N 446.960 2.178 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1635067463 GHUAHTYHFSPOGQ-UHFFFAOYSA-N 431.489 2.052 30 10 IEEE CCCc1c(C(=O)N[C@H]2CCCN(O)C2=O)nnn1Cc1cccc(Br)c1 1637667728 IJTWKMOOVCJFMJ-AWEZNQCLSA-N 436.310 2.151 30 10 IEEE CCc1ccc([C@H](C#N)NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1638049882 GMKIFWBTYDBWKS-FQEVSTJZSA-N 428.514 2.257 30 10 IEEE O=C(c1cc(F)cc2nn[nH]c12)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1641453337 MVMPDSFPNUUQGW-XVKPBYJWSA-N 427.280 2.311 30 10 IEEE C#CC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)C1 1654845874 CCUJHCLTFVPSOO-UHFFFAOYSA-N 434.901 2.360 30 10 IEEE C#Cc1ccc(NC(=O)CCN2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1654909094 CQFXJHVMSAMLSX-IBGZPJMESA-N 441.528 2.338 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN1CCOc2c(Br)cc(C(=O)OC)cc2C1 1655916548 XCSKWXCWRJLELE-CYBMUJFWSA-N 438.322 2.438 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 1659644352 BIPVGDLWADCPLH-GFCCVEGCSA-N 431.404 2.152 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1 1664401129 DHMRUXDJNUSMGK-QFIPXVFZSA-N 426.494 2.401 30 10 IEEE C=CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1670971669 QOZQWBVSNUAADI-QWHCGFSZSA-N 443.488 2.217 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)nc1 1683087857 PQONVGOVMWJDCL-UHFFFAOYSA-N 428.290 2.270 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@](C)=O)cc1 1689868328 CUCGGDBVWKKEFO-DEFJXOOYSA-N 430.574 2.387 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689886987 LVAGCUBJBBQAIQ-HSZRJFAPSA-N 435.532 2.267 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CN(Cc2ccccc2)CCO1 1689944051 JSYKRFLYAJOOMA-OAQYLSRUSA-N 438.576 2.167 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nccnc1C 1690077357 NAZGRUWYYQVHDN-UHFFFAOYSA-N 431.548 2.253 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1690167087 BPPKJTHMCZLGMA-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1693521275 GDQBVUVTNSWAGN-TZMCWYRMSA-N 435.554 2.037 30 10 IEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1695204196 COWLHKNBZGCWLU-UHFFFAOYSA-N 438.580 2.400 30 10 IEEE CCOC1CC(O)(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1696193656 DVNXNCIAUPKEFQ-YTCBPCPPSA-N 425.533 2.479 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1697736438 FRDHCNLFEYAXSD-SFHVURJKSA-N 437.548 2.437 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1697748076 FSFCJAWPMLRZBA-WMZOPIPTSA-N 426.521 2.103 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1705496240 CBGZOKFCOQJBEE-AEFFLSMTSA-N 429.952 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CCC[C@H]1CO 1705579945 ZWHZJYZDVDHJTJ-QFIPXVFZSA-N 428.540 2.351 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1705637991 UCHJWVPFNXWRPI-HKBQPEDESA-N 434.569 2.022 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CSCCS2)CC1 1705641281 YPZXHZIZXBANNI-QGZVFWFLSA-N 434.660 2.238 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1705877569 AHYRPCGMMFTKSA-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1705900307 YMRWSTZCCGAWTI-UHFFFAOYSA-N 440.504 2.380 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705905008 GHUGVAOYZKRVIP-IBGZPJMESA-N 439.951 2.001 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705907038 YHUBAPOLXCIKMJ-QFBILLFUSA-N 429.521 2.029 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1705921331 PZYYRTAGQGDCLV-JTUHZDRVSA-N 444.532 2.284 30 10 IEEE CCN(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N)C1CC1 1710153304 BPJTVJPKFBCLEV-INIZCTEOSA-N 434.548 2.272 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)c2ccccc2)CCOC1 1710482204 BRPLLQAEBPIGLO-FXAWDEMLSA-N 433.459 2.451 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCO2)cc(OC)c1OC 1711653494 CRIVBXSWWJWMIZ-SJORKVTESA-N 441.488 2.045 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1712254237 GGFILNLAINSMKC-LJQANCHMSA-N 438.532 2.118 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722312163 XDEOCHCDJGJJHC-UHFFFAOYSA-N 438.923 2.384 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@H]1C 1722369927 CQWIQYHVROFQNX-UZUQRXQVSA-N 439.947 2.485 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1722381629 TVKVKBPQTNAGBC-AEFFLSMTSA-N 429.484 2.156 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1722426027 VSJNTHDVLXQNDN-AVRDEDQJSA-N 437.544 2.488 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)NCC)c1 1722429031 MKJVBURFSXJGSH-HXUWFJFHSA-N 425.533 2.056 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CC2)CC1 1722431559 QYIZNNQYQNDLEI-INZIPBBXSA-N 445.564 2.224 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722455736 PONGDSCVFGZYLQ-QZTJIDSGSA-N 442.589 2.074 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1722533373 PWKMWCHFKMGHMO-OAQYLSRUSA-N 427.549 2.111 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1nccs1 1722537613 PEDMCYHBQLNNGK-JKSUJKDBSA-N 439.607 2.469 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722701008 CELMSOXLWODJRC-UTKZUKDTSA-N 439.560 2.378 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1722719428 UBTZLDCXYBKUKQ-HOTGVXAUSA-N 437.953 2.058 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722732224 WMFBDYLCGHENHC-GOSISDBHSA-N 436.582 2.070 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1728519841 UNIDZCFYSRZRPZ-INIZCTEOSA-N 439.488 2.112 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCCC2)nc1 1729705655 ALQHSDDZTLALRW-UHFFFAOYSA-N 444.543 2.433 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCn1ccnn1 1730934332 CMYQWJPBHWPSLP-PMACEKPBSA-N 436.520 2.192 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(-n2cncn2)c1 1740531981 WJEHZKVCOZKNCS-INIZCTEOSA-N 427.472 2.012 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740585315 QFINUCIIVAUKMG-QZTJIDSGSA-N 438.532 2.444 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1740615886 NCZYTPLUUBVELF-UXHICEINSA-N 444.601 2.460 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1740679284 SKEFOUPBNYJVTH-JOCHJYFZSA-N 448.564 2.195 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2Cc2cccnc2OCCOC)CC1 1740693721 KDBWAZJXGJRUDE-UHFFFAOYSA-N 432.528 2.169 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(N(C)C)nc2)CC1 1740697058 QCUBNHQPJHYPNC-UHFFFAOYSA-N 445.571 2.142 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740721312 FHGFIYFKEOYLPW-GOSISDBHSA-N 440.573 2.088 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740785474 HPTNOIVCBMGBLW-IAGOWNOFSA-N 430.505 2.192 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(C)CC1 1740959118 KVHIIIOXVYXAKI-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H](C)O1 1743320586 XICGWJIPNBVMBC-WHSLLNHNSA-N 429.546 2.210 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1744646972 WWOCMZSHHCTYKK-HZPDHXFCSA-N 439.564 2.263 30 10 IEEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CCn2cc(Br)cn2)cn1 1748005248 FLPNAQPVYIZOAU-UHFFFAOYSA-N 444.341 2.468 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1748641703 JKLJYFYXDLPBSV-MIZPHKNDSA-N 433.597 2.133 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1748722173 UJOHNSNEXXCEFD-OAQYLSRUSA-N 449.603 2.200 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1748731942 OVSFOGQDWMVHPG-INIZCTEOSA-N 429.546 2.301 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CCOC 1748751502 IGOBYJGRKAXVHB-SFHVURJKSA-N 446.552 2.366 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1748759739 NYFGORXOYCHWAB-IRXDYDNUSA-N 429.546 2.400 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1748815517 RBPDMYFFBHDVGK-ULQDDVLXSA-N 449.602 2.407 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC(F)F)c1 1748830420 VVLHOFSUYDEQHQ-JOCHJYFZSA-N 445.470 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1749003386 HWCXFQRUWDAHNK-JOCHJYFZSA-N 445.571 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749126341 BCVDLEAOOWCQBF-LNLFQRSKSA-N 441.536 2.431 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F)C1CC1 1749519271 HTRLCYQVMQHOTE-LJQANCHMSA-N 449.552 2.262 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@H](C)CC2 1749597159 AEKNMOBSCJRWSY-GDBMZVCRSA-N 430.578 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)c2ccccc2)C1 1749721739 SKOGCZLIOZUPRB-PKOBYXMFSA-N 432.546 2.385 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)c1 1751652882 NMMSATKYHBTYKZ-OAQYLSRUSA-N 440.548 2.007 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1 1760121232 AHPSYBIEHQDUFW-SFHVURJKSA-N 439.560 2.471 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760156192 YHQZRBKYFILFBP-UHFFFAOYSA-N 429.528 2.103 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760187392 VPIKFIINGRTIQZ-IBGZPJMESA-N 430.574 2.355 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1760193086 SQDFXAFKYJSQRS-INIZCTEOSA-N 432.521 2.423 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2CC2)c1 1760249095 HPFJVFCZUFYOER-HXUWFJFHSA-N 428.558 2.192 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1760351712 KMCUDYHWXMOXGH-QHCPKHFHSA-N 440.548 2.442 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760448692 MLRGFCMIGQNPSQ-KRWDZBQOSA-N 440.552 2.451 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1760456424 OOHJTZKGRJRTTQ-WMZOPIPTSA-N 449.577 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](COC(C)C)C1 1760553412 UDHMXLQOOSGNQZ-LJQANCHMSA-N 434.562 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760553443 CNHNIYQZCIPAJU-UHFFFAOYSA-N 439.582 2.250 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1760566221 ORRABYMEWJUION-APWZRJJASA-N 443.639 2.157 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760694304 QAUXCCNEVFRSHC-DLBZAZTESA-N 443.552 2.023 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1761283138 IJJLBSOHUSXNRP-QZTJIDSGSA-N 448.465 2.255 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@]2(CCOC2)O1 1763090369 VVOCESZBWSYMOK-BTYIYWSLSA-N 433.459 2.483 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 1765552082 CGSJKNILEDYTRG-SIKLNZKXSA-N 437.592 2.315 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1 1767062258 POTNLVWOMLNKSP-UHFFFAOYSA-N 449.559 2.329 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1770986728 FENHDWFUXOAVQR-YVHKJVDXSA-N 429.521 2.130 30 10 IEEE Cc1ccc(-n2ncc(C#N)c2NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc1 1851619610 VUHPPTNNTIMZRK-UHFFFAOYSA-N 429.436 2.492 30 10 IEEE NC(=NOCCC(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1)c1ccc(F)cc1 1853408039 XVOWDOJXGZDJSV-GOSISDBHSA-N 437.475 2.426 30 10 IEEE CCC[C@@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1=O 1855825304 IEPYLHYTAZJBDO-QZTJIDSGSA-N 437.493 2.445 30 10 IEEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C(=O)C1(C)C 1856720320 NSKURDIYFWMHGX-ZDUSSCGKSA-N 427.473 2.438 30 10 IEEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCSc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857282907 AZFJGQPDLZOTMB-VQIMIIECSA-N 433.549 2.402 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)NCC(=O)O)c2C#N)C1 1858793409 FVIVUHUXKKKZOR-LLVKDONJSA-N 443.485 2.363 30 10 IEEE COc1ccc([C@@H](C(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)C(C)C)cc1OC 1866992027 SUMZQWOPEHTXLE-RXVVDRJESA-N 425.485 2.431 30 10 IEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1 1869027484 RQZNWNNCTXASKL-UHFFFAOYSA-N 439.553 2.320 30 10 IEEE O=C1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccccc2O)CN1Cc1ccccc1 1874209040 WBUNLAKRBUJYGA-ZMPUUUETSA-N 437.525 2.466 30 10 IEEE Cn1nc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Br)c1Cl 1881517156 VNLXFCFOGFVLQL-QWRGUYRKSA-N 447.765 2.281 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2010128342 ITCXJPDKLVHHJE-DBWCEAHUSA-N 440.541 2.108 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060624778 CBKATTVHJLPKHH-VVONHTQRSA-N 436.358 2.442 30 10 IEEE CCOC[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCO1 2172773643 DWWZNIMTUKNWIA-CQSZACIVSA-N 427.148 2.385 30 10 IEEE CCN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@H](C)CS(C)(=O)=O 2172778955 WFIHWDBGJTZWNB-GFCCVEGCSA-N 447.204 2.403 30 10 IEEE N#CC1(CS(=O)(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)CCOCC1 2174788858 JVQZPLDYQWEGJT-UHFFFAOYSA-N 435.546 2.275 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243434757 DSZXCNKJCKODCI-UHFFFAOYSA-N 446.400 2.193 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2243435164 LTVXCOCWNIZLJK-ZFWWWQNUSA-N 430.376 2.349 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247907143 WUTAALWFHXEYTJ-QGZVFWFLSA-N 432.273 2.330 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247920181 XHLGZJCHWPAMAN-UHFFFAOYSA-N 437.371 2.381 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CCN(Cc2ccccc2)CC1 2249699024 KJOVKZGORDBJTR-FQEVSTJZSA-N 429.561 2.389 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603096 AWEYETDIPLQWJQ-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE COC(=O)[C@@H](CCNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2255613548 YZJKXPLVBPUAKK-QLFBSQMISA-N 440.346 2.431 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)n1 2255634534 SJIHXCAKANMICW-UHFFFAOYSA-N 432.330 2.366 30 10 IEEE Cc1nc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255645669 IUANKOIORSJGQK-STQMWFEESA-N 449.382 2.346 30 10 IEEE CCC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255827582 KVBLVNJGVZJUQF-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255838142 BCVKYPUGWYPMML-GZBFAFLISA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2255855649 RBUKQFCXQHBLMK-BPUTZDHNSA-N 431.342 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2256674302 JRLGUQLUPMKAGV-JOCHJYFZSA-N 432.326 2.296 30 10 IEEE C=CCCC1(C(=O)NCc2nn(C)nc2Br)CN(C(=O)OC(C)(C)C)C1 2266314732 HCMJSLIXZSMDFY-UHFFFAOYSA-N 428.331 2.397 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2267140974 UPWJQNGAKRQQGR-CABCVRRESA-N 448.373 2.332 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267178622 FIMNTQRKGFZLIH-LJQANCHMSA-N 438.381 2.360 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)n1 2267179605 SESQXXURHCGEPC-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267188937 SUSPPKGKELPZCC-GOEBONIOSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2267491846 JVLMQPAHVKYZQA-UHFFFAOYSA-N 440.349 2.336 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(Cc2ccccc2)C1 2267504377 RDNFWTRKAYKGJG-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267523118 XRYRCHQBDFOFEY-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2268708572 CNJHIKZUYJDNEF-GOSISDBHSA-N 448.369 2.220 30 10 IEEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)c1 2296562392 KNMSHEPRTPTVOO-OAQYLSRUSA-N 437.496 2.234 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2337193381 DIDOJEUVPDTUFE-SHTZXODSSA-N 448.373 2.285 30 10 IEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1Cc1ccccc1 2337201114 QVQZOIDBVGYROA-SFHVURJKSA-N 438.381 2.456 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1C 2337329151 YVSKBFFNVVJURB-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@H]2COc3ccccc3O2)CC1 31047348 BDOZUTWOBXEUTK-HNNXBMFYSA-N 435.440 2.478 30 10 IEEE C=CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OC 34107729 YVFYIJGCFIBBMC-ZHZULCJRSA-N 433.489 2.223 30 10 IEEE CCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)nc(O)n2C 254848303 HRXNNLUJHOOCDR-UHFFFAOYSA-N 435.282 2.463 30 10 IEEE CCc1nc(C)c(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)s1 425994051 NZRIWGLRKSVYEO-UHFFFAOYSA-N 437.529 2.341 30 10 IEEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 435158599 LMRPWAOXWSFPMU-SNVBAGLBSA-N 445.444 2.364 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 440999989 POPFCFRSJDSAMN-UHFFFAOYSA-N 425.599 2.153 30 10 IEEE Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1C#N 441689951 PBCMSIFWFXPLOB-UHFFFAOYSA-N 440.887 2.208 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2c(Br)cnn2C)c1=O 447283541 UVGHOSNNOUIZNG-UHFFFAOYSA-N 449.374 2.078 30 10 IEEE CN(C(=O)CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1)C1CCCCC1 466108930 SHKCVFXRRDJGMB-UHFFFAOYSA-N 427.549 2.055 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CC)Cc2ccccc2Br)CC1 471071630 FQUDIXRIYNUBCH-QGZVFWFLSA-N 437.382 2.400 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 476180331 XUROYLWGJJPHAW-QGZVFWFLSA-N 432.498 2.430 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OC)s2)c1=O 477016783 AZTKIQFGCPMTSK-UHFFFAOYSA-N 426.519 2.394 30 10 IEEE CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 478845887 PHHKXPHNSJONNJ-OAHLLOKOSA-N 439.562 2.347 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc2cc(I)ccc2n1)C(=O)OC 481782108 DHFBHBPOUWIEHK-OAHLLOKOSA-N 440.237 2.313 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCCC1 498860163 ZEXQDCQDBGHERI-UHFFFAOYSA-N 431.967 2.060 30 10 IEEE COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C)c1=O 523652386 TUDIQNFNVQFOAQ-UHFFFAOYSA-N 433.327 2.090 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1[N+](=O)[O-] 538144924 OETJEAGBRHAKNS-OAHLLOKOSA-N 443.485 2.244 30 10 IEEE Cc1ccc(Cl)c(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 542519095 JYJWDZLQOMYAMT-GOSISDBHSA-N 449.960 2.266 30 10 IEEE N#Cc1cccc(C2(NC(=O)NC[C@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)CC2)c1 557725217 GIZAVXPOHSEHFF-VXKWHMMOSA-N 429.524 2.445 30 10 IEEE CC(C)n1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 559124928 XGQOREDVENCUDV-IAGOWNOFSA-N 449.515 2.144 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1 560724339 HPLKWLGGSRRZRO-AWEZNQCLSA-N 447.479 2.072 30 10 IEEE CN(C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1)S(C)(=O)=O 583457159 QOFQQUSNAWQSHA-QGZVFWFLSA-N 428.514 2.489 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 604301960 RKXFLSXEQYHCPQ-AWEZNQCLSA-N 441.438 2.404 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)nc1 608950586 IJUOVYDTAAZMEU-HNNXBMFYSA-N 425.439 2.370 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)c(C#N)c2)s1 609196476 JYZQSDPCMIAOCY-UHFFFAOYSA-N 445.563 2.310 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 614555794 GUYVXQFLRDTGEC-UHFFFAOYSA-N 428.513 2.353 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 615228931 ZGLRQLJWIOKLKI-IAGOWNOFSA-N 444.557 2.090 30 10 IEEE COC(=O)c1cc(S(=O)(=O)NCB2OC(C)(C)C(C)(C)O2)c(Br)s1 705316056 DTXTVUMNQUOASD-UHFFFAOYSA-N 440.146 2.207 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 726179618 QXCOUWODECVJEA-UHFFFAOYSA-N 433.537 2.334 30 10 IEEE C#CCN(C(=O)CSCc1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1 729335215 JVWMSSFOSSNKHK-AWEZNQCLSA-N 434.352 2.470 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N2CCOc3ccccc32)cc1 731767916 RQORLVTWRAGAKR-IBGZPJMESA-N 435.480 2.269 30 10 IEEE CCS(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c1 735771554 LEOUOUGDOKZZHZ-UHFFFAOYSA-N 426.903 2.432 30 10 IEEE N#CCn1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(I)cc2)cn1 746423790 ZTTDYEWTIYBAHX-HNNXBMFYSA-N 449.252 2.313 30 10 IEEE C#CCNC(=O)C1CCN(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 747798329 NNOSTAAUFWOOSS-SANMLTNESA-N 444.535 2.095 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#C)CC(=O)O 757269194 ZHPIMILEGYHBFS-JOCHJYFZSA-N 430.460 2.463 30 10 IEEE C=CCN(CCO)C(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757434851 DBXOMMGFQDUHCN-OAQYLSRUSA-N 438.480 2.375 30 10 IEEE COCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 764560069 BIWZOXFBKNZGII-UHFFFAOYSA-N 435.483 2.465 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CC3)c2=O)c1 772298521 GCMXJXYEOJDLHU-UHFFFAOYSA-N 446.370 2.343 30 10 IEEE N#CC1(c2ccc(C(=O)OCC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)cc2)CC1 777176351 JBGRWEIAUFVOAL-UHFFFAOYSA-N 433.873 2.338 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 780175697 CVPXFIDPRJCOJX-JOCHJYFZSA-N 433.480 2.279 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 780204851 KEMFELKYRGBSML-NRFANRHFSA-N 427.888 2.133 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)ccc2c1=O 787691742 LDEIOWVTLSBFGN-BRJNRLSDSA-N 435.549 2.110 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)n1 790105425 HUCMPUJODRNRST-QGZVFWFLSA-N 430.452 2.096 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 790537642 VITKRCPYZLAWDV-HSZRJFAPSA-N 443.548 2.175 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC(=O)N2C(C)(C)C)cn1 796843985 CDEFDUVHUNEYKL-SJLPKXTDSA-N 449.577 2.028 30 10 IEEE O=C(NCc1cccnc1N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1)[C@H](F)C(F)(F)F 810382403 CZPHNKVOOMBRQQ-QWRGUYRKSA-N 448.314 2.147 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2c3c(nn2C)CCCC3)c1 812922742 NIGOJEAQPWSYHN-QQTULTPQSA-N 444.561 2.433 30 10 IEEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(F)cc1 812938531 NLUWTAMNNQWPBT-SFHVURJKSA-N 434.493 2.211 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)n1 856714182 WWCXRCILIUXALJ-OPAMFIHVSA-N 427.480 2.065 30 10 IEEE CCOc1ccc(C(=O)N2CCC(NC(=O)NCCNc3ncccc3C#N)CC2)cc1 916229745 XMWWOXTWTYJHPL-UHFFFAOYSA-N 436.516 2.368 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccccc1O 1084060532 DVSURRAKEMTTHB-UHFFFAOYSA-N 442.461 2.173 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NC1CCCC1 1084199341 WETOZFLOVVHOLL-UHFFFAOYSA-N 434.438 2.218 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(-c3ccc(F)cc3)c2)c1 1125489132 LEMPQOYZCIWZJL-UHFFFAOYSA-N 432.455 2.498 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C 1128907636 OEVNDTGBNZQIIN-PMACEKPBSA-N 428.537 2.091 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1136313242 JBDKLFPHBQXUQO-ZBFHGGJFSA-N 437.338 2.492 30 10 IEEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 1141591501 FJXRSAYEOWSMNA-CQSZACIVSA-N 436.917 2.288 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)cc1 1141657580 WUXQGSJWBNMMKJ-OUKQBFOZSA-N 433.508 2.420 30 10 IEEE C#CCN(C(=O)c1cn(C[C@@H](O)CC)nn1)[C@@H]1CCOc2ccc(Br)cc21 1146862140 MWTNNJSYDIPJEL-WMLDXEAASA-N 433.306 2.411 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 1148426403 FCEIAEOUCLESMC-HUUCEWRRSA-N 426.539 2.431 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](c3nnc(N)o3)C2)C1 1149319439 UGOZGRAWPAQRGC-NSHDSACASA-N 431.294 2.128 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCC2(C#N)CCCC2)C1=O 1164482254 XNVSDWJJRFCXFS-GOSISDBHSA-N 433.306 2.416 30 10 IEEE C#CCN(Cc1ccccc1)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1170093503 ASRAHJWLYFFENT-NRFANRHFSA-N 439.581 2.352 30 10 IEEE COC(=O)c1cnc([C@@H]2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)s1 1225936657 FRQSTTIMIAVJAT-MCIONIFRSA-N 449.533 2.188 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 1264346578 IQJWGNIADNHSKD-FQEVSTJZSA-N 432.502 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1286279317 UQTHSPCGUPVNAO-UONOGXRCSA-N 432.525 2.209 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1286299353 VGSNQUODOVGHKY-APWZRJJASA-N 427.574 2.069 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNC(=O)C1CCC1 1286404449 QVPDQKVSZCZLDQ-UHFFFAOYSA-N 443.349 2.415 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCc2ccccc21 1286466391 GHBLTLPXDADSAD-WOJBJXKFSA-N 442.585 2.386 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(OC)cc2)CC1 1286469720 KBEWINLXGMVJLG-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1286580793 FGNUMNURSYCQBV-KRWDZBQOSA-N 446.556 2.281 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286632113 GAKQUUALFOENCT-INIZCTEOSA-N 435.923 2.393 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1286752994 QEZIFAIONLZXIW-UHFFFAOYSA-N 432.546 2.072 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1286958988 CLRCWXRQDAAPMM-OLZOCXBDSA-N 426.493 2.005 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1291295709 CCJVWQFLHVSMTK-APWZRJJASA-N 431.562 2.360 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1297321150 DHBDJOQKYSAGGI-AWEZNQCLSA-N 443.312 2.256 30 10 IEEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1297804653 AMZONXLLNGYETB-PMERELPUSA-N 431.562 2.217 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(C)COC2)c1 1300334501 NREGUBITIWHQIB-UHFFFAOYSA-N 430.512 2.357 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Sc2ccccc2)CC1 1300680958 HLAHBQJZPJOYFF-GOSISDBHSA-N 426.590 2.352 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ncc(CC)s2)CC1 1300725670 JBWCVWRJKCWNLC-KRWDZBQOSA-N 442.589 2.205 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1301217090 YVIPKIORYFSBRD-WMLDXEAASA-N 432.550 2.040 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)CC1 1301219135 DWRXMSPYYLENDE-UHFFFAOYSA-N 438.480 2.322 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301268078 GNVRSPDMUMXSMN-QGZVFWFLSA-N 446.577 2.051 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1301297575 QDJXIVZOUFAXKE-SFHVURJKSA-N 426.546 2.096 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(N)=O)C1 1301481166 IKDNKQOXPSCRFI-LBPRGKRZSA-N 444.948 2.427 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1301510148 UJTUCLCVIGHURZ-LJQANCHMSA-N 438.532 2.053 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1302189602 JBNXVCPHDLGUDK-FQEVSTJZSA-N 441.532 2.276 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)C1CCC1 1302293635 PFVWHJAIXPTIKQ-SFYKDHMMSA-N 444.580 2.439 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1303000897 KWGZXRVOLNFQTM-IRXDYDNUSA-N 442.486 2.175 30 10 IEEE C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)[C@H]1CCCc2ccccc21 1308103296 GDGVYUJQPCYOEM-FQEVSTJZSA-N 427.526 2.294 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(n3c(O)nnc3O)CC2)cc1 1310196866 XCCUATIZGPWVTP-UHFFFAOYSA-N 426.477 2.373 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC1 1314870515 BQLDWOIVVNYONL-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CCCC1 1316333703 FAUFYCOFENQNKM-UHFFFAOYSA-N 443.573 2.383 30 10 IEEE N#CCOc1cccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 1322555583 PPHVYFOQUQZUHN-UHFFFAOYSA-N 434.417 2.361 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2noc3ccc(OC)cc23)c1 1355998054 PBVWFOVFCYUGQQ-UHFFFAOYSA-N 433.464 2.252 30 10 IEEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCCN(CC)S(C)(=O)=O 1358944147 JALOJELUWKGQMB-UHFFFAOYSA-N 426.546 2.234 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1359007430 JVFVFRIZQSXRQG-JOCHJYFZSA-N 426.590 2.316 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359037209 ZRBDUAKACMHOCF-DEOSSOPVSA-N 434.544 2.137 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCOC2(CCOCC2)C1 1359296188 ZXUMLBRBCPAWQV-UHFFFAOYSA-N 425.533 2.196 30 10 IEEE Cc1c(C(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cnn1CCC#N 1435999203 YEAOWIGJRRPZRL-QGZVFWFLSA-N 446.552 2.131 30 10 IEEE Cc1c(C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)cnn1CCC#N 1448634239 ZHNVIYDHDWQKFR-UHFFFAOYSA-N 441.293 2.177 30 10 IEEE Cc1ccc(C)c(NC(=O)Cc2nc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)c1 1460877288 BTWAJLYQJIDZPO-HRAATJIYSA-N 444.582 2.311 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(C#N)nc4)CC3)c(Cl)cc21 1464432275 ALNRXLFZSQWXRY-UHFFFAOYSA-N 445.932 2.027 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(C#N)cn1CC 1466880514 GDPFLBJYWDLBLI-IRXDYDNUSA-N 428.493 2.410 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]3c3ncc(OC)c(O)n3)ccc2c1=O 1472628258 GMNDPURGASPBFX-OAHLLOKOSA-N 439.497 2.353 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCCO)CCO2)c1 1505317485 NAFLHGZBTCCJBM-QFIPXVFZSA-N 448.527 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1507516455 LEYOXWONWOFPDG-STQMWFEESA-N 425.942 2.057 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCCC2)nc1 1507605077 MLGQJKYBRWHLEU-UHFFFAOYSA-N 430.516 2.428 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1507627524 KBFZJOABASEPOK-GCJKJVERSA-N 446.573 2.132 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507635400 SFBJXWLIILVRDC-IBGZPJMESA-N 428.558 2.245 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507636132 ZIISLLPKLVVXBG-GOSISDBHSA-N 432.521 2.053 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(N2CCOCC2)CC1 1507643471 WAMVUDKLCFZTLT-LJQANCHMSA-N 437.519 2.495 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CCC1 1507711110 NXSCFENRMUVKFN-FZYZMVIOSA-N 444.557 2.178 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@H](C)c2ccccc2)CC1 1507723513 KZLOAOYRGVEEDS-TZIWHRDSSA-N 436.560 2.152 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C2CC2)CC1 1507732847 UTIYXUNBDOZUAX-NRFANRHFSA-N 425.533 2.046 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)(=O)CC1 1507749639 VLARHXWQYRKDDS-UHFFFAOYSA-N 428.942 2.339 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCNC(=O)C(C)C 1507790817 DKCDKWKERIERIW-GJZGRUSLSA-N 444.374 2.119 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1507876420 GISULRRWRDTEPQ-LJQANCHMSA-N 439.564 2.439 30 10 IEEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507917449 OZSJIKDOPIAKPB-QGZVFWFLSA-N 425.599 2.074 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1507954797 PQPKSRGYFBPHDP-DLBZAZTESA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1508090941 QFVFZSHCIDHDGQ-IAGOWNOFSA-N 445.568 2.433 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508092419 BULGGUUBPFCEKF-SJORKVTESA-N 429.496 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccccc2[C@H]1C 1508131836 QXRGKKCZMBDGCA-QGZVFWFLSA-N 443.573 2.239 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(N)=O)CCOCC1 1508413392 HPRZLCACKBYETR-CQSZACIVSA-N 448.474 2.424 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1514411505 JGTDKWHLSQLJBM-UHFFFAOYSA-N 439.564 2.129 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2c3c(nn2C)CCSC3)cc1 1516310354 VNDXPYVJGNPPNV-OQKWZONESA-N 433.559 2.275 30 10 IEEE CC[S@](=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1516874540 SPJXFQKQXAXEGY-HKBQPEDESA-N 441.605 2.373 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCn1cncn1 1517365271 ZBFWMUWWRKTHBH-SFHVURJKSA-N 444.341 2.468 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCOCC2)C1=O 1517408249 JIRFXKSMJTZNJS-QHCPKHFHSA-N 438.532 2.070 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)CC2CC2)C1 1521055256 CDFJORIDUJBDDU-LJQANCHMSA-N 448.480 2.120 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cn(-c3cccc(OC)c3)nn2)ccc1F 1521797387 VHXQPEJICKOKCD-UHFFFAOYSA-N 431.449 2.132 30 10 IEEE CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1529393242 NRQGXRFNPNWFCG-QGZVFWFLSA-N 430.464 2.056 30 10 IEEE CCC1(N(C)C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1531174442 UWCLVGXYLPQQLO-UHFFFAOYSA-N 432.590 2.292 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1538972104 JGHDTLBCDLLVMA-FZKCQIBNSA-N 431.562 2.279 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539230856 MBVMDQUOTNAPHH-VQTJNVASSA-N 443.573 2.093 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOC)CC1 1539446854 KLYGZHMGTUSPQE-IBGZPJMESA-N 446.596 2.184 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)C(C)C)CC1 1539453255 HCOOOXSMZHPNNH-UHFFFAOYSA-N 434.592 2.002 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1 1539612610 OIEPSPLHPLNIPL-AABGKKOBSA-N 447.580 2.126 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539693796 ZPJUGOSRQSANOY-UHFFFAOYSA-N 433.516 2.350 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539892331 YQZHBIVTLYYYFZ-QFIPXVFZSA-N 430.574 2.129 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539915888 FRYJLNUXRZYIEO-QRQCRPRQSA-N 430.553 2.199 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1540020270 RTDNZACQRFULMW-KRWDZBQOSA-N 446.577 2.450 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1540021632 XPYUZQOXRRSJTO-UHFFFAOYSA-N 445.520 2.443 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 1540585834 YQNDDYPXVLSWPY-QFIPXVFZSA-N 444.528 2.426 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccccc1 1540897953 WODKGTPQHMRPRM-LJQANCHMSA-N 443.573 2.456 30 10 IEEE CC(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1541742684 ULBFETIOCQIGTP-HNNXBMFYSA-N 433.534 2.087 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1541806804 SVJDXHCALLALTP-MWTRTKDXSA-N 433.516 2.478 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367969 ZUBUYNKPRIIPDR-GOSISDBHSA-N 446.433 2.255 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H](C)O1 1555388759 KMZNIVGCWVHDOE-JLSDUUJJSA-N 433.459 2.481 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1555430496 XQJMPAGNYPXEJG-WGGBDISSSA-N 443.548 2.377 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(C)COCCO1 1555558953 KMSCEQCZSVGRCI-QHCPKHFHSA-N 438.532 2.453 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CSC1 1557439006 LDZLKMNKCSJCBS-UHFFFAOYSA-N 426.869 2.214 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2(CC1)C[C@@H](O)CNC2=O 1560195869 MWOAAWBGNDSBOE-LSDHHAIUSA-N 430.574 2.179 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 1564787030 CVRFJQVIMBEUMQ-UHFFFAOYSA-N 437.443 2.301 30 10 IEEE N#Cc1cn(CC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c(=O)nc1O 1566441050 LDKGLTUUDUQFDH-OAHLLOKOSA-N 440.504 2.123 30 10 IEEE CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C(C)(C)C 1570910780 SANBYPWBINDQFQ-LJQANCHMSA-N 434.606 2.474 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1587550543 NICGZGYWFXMTOO-UYAOXDASSA-N 437.544 2.496 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCN2CCOCC2)c1 1587690013 WTFNUOTUSWTDPI-UHFFFAOYSA-N 447.543 2.052 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1587851646 LMZPNYOIJYOZMM-MSOLQXFVSA-N 439.495 2.182 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1588011939 PDOUHMXEYAHLRF-KUHUBIRLSA-N 435.322 2.229 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588030421 UUHRRVCKOPGUKG-RBUKOAKNSA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1588064222 DJIYZGRJTBGMIZ-SFHVURJKSA-N 441.582 2.309 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2F)CC1 1588733469 UOEQAARKJMJJJO-UHFFFAOYSA-N 433.491 2.062 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCC(C)C)CC1 1588806390 OWPOQNXJKPNGMZ-UHFFFAOYSA-N 430.578 2.150 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1cnn(C)c1 1589053259 KZEFFKBZFDTPQQ-UHFFFAOYSA-N 427.534 2.132 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1589134787 PNQHSFCDVYDECD-PCCBWWKXSA-N 446.665 2.491 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1594732610 GGOZUYLCUREDMM-SFHVURJKSA-N 438.580 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)N(C)C)C1 1595745628 UNAYSNHNPUPAAB-SFTDATJTSA-N 438.576 2.485 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1603126110 BOKRHMKAVBXZOV-VQTJNVASSA-N 427.505 2.005 30 10 IEEE CC[C@@H](C)c1nnc(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613368289 MCTGMFVDGJHAIO-MLPGSZTGSA-N 428.537 2.179 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1C 1614079717 GUSOWGLDNNWHAJ-YVWKXTFCSA-N 438.532 2.116 30 10 IEEE CCCN(CC)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1614726585 HBBMRVDMMBSQIE-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1615690621 UXVACUGDFGESBQ-LSDHQDQOSA-N 446.515 2.324 30 10 IEEE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 1617607876 QUASIBMGGUCNAU-UHFFFAOYSA-N 434.342 2.264 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1 1620384907 HYURIMWFKQZCKX-LVHCJKAXSA-N 443.458 2.348 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1-c1cnn(C)c1 1624062253 NPAJTUNWFUCNPQ-UHFFFAOYSA-N 449.536 2.414 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)s1 1629338464 DRFGOBRITVOPRG-UHFFFAOYSA-N 436.555 2.357 30 10 IEEE C#CCn1cc(CNC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)cn1 1634635976 MOUUSCLFLLHPTQ-UHFFFAOYSA-N 434.452 2.421 30 10 IEEE C#CCN(C(=O)NCCN1CCN(C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634681977 KFFDZNBBXSQKIQ-UHFFFAOYSA-N 435.613 2.057 30 10 IEEE CC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCc1cccs1 1634918205 BROIECDCDFUHOO-MOPGFXCFSA-N 439.541 2.115 30 10 IEEE C=C(C)C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC 1635630466 LXUUENYSYYKBGG-OAHLLOKOSA-N 443.541 2.372 30 10 IEEE N#C[C@]12CN(C(=O)CCCC(=O)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1636512466 ICVSQFZUMAHDGQ-KBXCAEBGSA-N 439.331 2.199 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1640917433 DYXAZQLWJDWVHN-WMZOPIPTSA-N 442.375 2.151 30 10 IEEE Cn1cc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)n1 1641458346 FHKYJUBPSHUBKO-SFTDATJTSA-N 433.512 2.016 30 10 IEEE CCOC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1644103422 HBAWPBLBWOAOSV-LJQANCHMSA-N 435.546 2.134 30 10 IEEE C=CCn1c(SCC(=O)N2CC(N3CCOCC3)C2)nnc1-c1ccc(Cl)cc1 1644189678 SQRXLHLRTUZSOS-UHFFFAOYSA-N 433.965 2.420 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1 1644926207 KNMANXJFZFXQQA-XMSQKQJNSA-N 447.557 2.260 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 1646096927 HRCLJRZYDVNOPJ-AWEZNQCLSA-N 430.461 2.009 30 10 IEEE COc1ccc([C@H](CNS(=O)(=O)c2c(C)cc(F)cc2C#N)N2CCOCC2)cc1 1653358593 GCMVFOXKZYDMNC-FQEVSTJZSA-N 433.505 2.366 30 10 IEEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)C1=O 1654343641 ZWHZYJDOEILXHD-DEOSSOPVSA-N 446.511 2.021 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CCOCC1 1657840948 OGYYLMUZHKYVRJ-FTRWYGJKSA-N 435.546 2.034 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 1658570277 WCAYHNSOMFLPEF-UHFFFAOYSA-N 429.951 2.406 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)c1 1661488989 CWHZCLBQNCXEKI-UHFFFAOYSA-N 443.500 2.302 30 10 IEEE C#C[C@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1667570910 NWNMILNQRRJXCO-OAQYLSRUSA-N 434.562 2.231 30 10 IEEE C#CCC1(NC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CCCCC1 1669964396 IUIRQMPFCKKJRZ-UHFFFAOYSA-N 425.489 2.027 30 10 IEEE COc1cc(CNC(=O)N2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)ccc1C#N 1682153794 IESNMHOZFDJYTF-JOCHJYFZSA-N 430.505 2.488 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689881118 GTZFFRUOSFLZPT-INIZCTEOSA-N 436.969 2.315 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1689947351 FKPNGMPIZCDDJG-AVRDEDQJSA-N 445.589 2.135 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689992844 PNXKKKNBCFIIBM-SFHVURJKSA-N 448.976 2.064 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1690009956 PTXSVJCMOXPCGH-NRFANRHFSA-N 449.555 2.146 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2sccc2C)CC1 1690113985 ZNOPERODZJMXAP-QFIPXVFZSA-N 429.590 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1690115068 QEBGODSXEPBNCG-PKOBYXMFSA-N 445.564 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCCN2CC)CC1 1690142582 RAEWRIGLCDXKGZ-FQEVSTJZSA-N 435.576 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](C)N(C)C)CC1 1690150487 KDNCNWILVMTSNZ-LJQANCHMSA-N 447.587 2.197 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2)CC1 1690152728 WFBSCOLZXYBZSS-UHFFFAOYSA-N 445.571 2.462 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(N2CCCNC2=O)CC1 1690167999 SUUDBXWQTGPZNV-UHFFFAOYSA-N 427.578 2.034 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690367150 DDLFGUXSKBBHKA-MRXNPFEDSA-N 446.533 2.291 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2nc(C)no2)C1 1690684584 IXEXACWNJGDRJG-MRXNPFEDSA-N 438.492 2.031 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1690726900 PUKKDVMKYLDSLY-UHFFFAOYSA-N 449.621 2.203 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1692015150 QPOISZQDWBBGQH-WMZHIEFXSA-N 438.532 2.068 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1694219755 FUUNYCAKOZMLSY-HTAPYJJXSA-N 432.569 2.363 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1698309696 ULHDQMCEYKHXDN-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCC1 1705489741 VKNZRVBYRSLJFP-QZTJIDSGSA-N 443.621 2.428 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705568605 RGLWUWXTRFVSFC-HNNXBMFYSA-N 442.463 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1705649471 YUCZJOGIMRXXHN-OALUTQOASA-N 438.576 2.455 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1705674564 MCVVQBJLJNAZMW-CNNODRBYSA-N 433.622 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1705704533 VZDDWXOXLDROFR-ZVDOUQERSA-N 428.581 2.422 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1705715970 VBSOGXWAXYAGOW-GOSISDBHSA-N 431.562 2.247 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705828166 FJFAUCDUPXNGLW-IBGZPJMESA-N 425.541 2.321 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1705895840 UTFCYUWOPWYWON-KBPBESRZSA-N 433.354 2.441 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705908294 MTJFEHMKSUOADL-UYAOXDASSA-N 438.576 2.395 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1706672768 VIEXYFNOJATRRF-SFTDATJTSA-N 436.532 2.065 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1706709319 ZJIASYXOMHYOCP-QZTJIDSGSA-N 427.461 2.268 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1707347991 JLXVLHXVPYRRLS-YGCDDZCOSA-N 440.504 2.236 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1708342270 CUULDNFDOIYBOW-HJPURHCSSA-N 440.548 2.085 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708848691 UFXFLDPGFJPPPD-AINLKENTSA-N 435.532 2.417 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1 1710606301 IDBFUYOUVAFNCV-YFYMUDDPSA-N 433.459 2.368 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC(C)C)C[C@H]1O 1711460428 FUIMFTTWPXKIMG-WOJBJXKFSA-N 441.532 2.382 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)c1 1711696723 RGUCPWGIXDXEKQ-JOCHJYFZSA-N 436.472 2.177 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1712254204 FMRBXERRZNNACP-AVRDEDQJSA-N 443.573 2.460 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1CCN(C(C)=O)CC1 1712531629 UXBJDPXESMTNPZ-QGZVFWFLSA-N 432.569 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1722296839 VTYSTTWADPAIRX-JENIJYKNSA-N 427.574 2.089 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1722364209 FFOPNJPSVYXAOV-LJQANCHMSA-N 434.537 2.061 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1722408722 PXKQMLOQTAWWNQ-IBGZPJMESA-N 425.533 2.490 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1722624348 AQQUABJCXXVIQG-UHFFFAOYSA-N 426.550 2.419 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1722690025 CYZGKIVZUHROCO-UHFFFAOYSA-N 442.539 2.124 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722707991 FWWNFGATILRIGA-HXUWFJFHSA-N 438.532 2.220 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)C1 1722717934 FLDZZJISPKRDRL-ICSRJNTNSA-N 441.532 2.002 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)C1 1722719291 SKMVEIGLPGSMHL-GBESFXJTSA-N 438.594 2.311 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722861906 DQRKJXODSNPQQP-LSDHHAIUSA-N 436.969 2.476 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCC(F)(F)F)CCOC1 1723691455 LNIGGJBKGOYVPK-YOEHRIQHSA-N 449.499 2.343 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2nnc(C)s2)n1 1726057732 IGWAWGDQDASNCO-LJQANCHMSA-N 429.529 2.374 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)O1 1727298636 WDNZLFKEIHKVBK-RIFZZMRRSA-N 438.598 2.366 30 10 IEEE COCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730672558 JROQVBJYHDBPJF-LJQANCHMSA-N 425.493 2.456 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1740534190 XPWGESHRKGKGGE-GJZGRUSLSA-N 428.518 2.050 30 10 IEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1740571751 SKDDDXZXDRHGRY-KRWDZBQOSA-N 447.543 2.180 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 1740621518 ZFKPHLDUMMWTOQ-QHCPKHFHSA-N 425.602 2.341 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740623333 RMBFXQVZUOGEEB-DLBZAZTESA-N 431.587 2.171 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCS(C)(=O)=O 1740631548 BVYIWIBRARZSEF-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1740654711 ORMFFUHZMUJGOM-OAQYLSRUSA-N 428.544 2.129 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCC(O)CC2)CC1 1740691475 FEFSJAKQDIJEMT-UHFFFAOYSA-N 436.604 2.110 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740795831 GGGIEGZLUQLDOF-SFHVURJKSA-N 427.549 2.332 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740863601 BKNXSLMQSYOXEY-MOPGFXCFSA-N 430.597 2.318 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1740900295 OTRFKZIOOIVKKF-QGZVFWFLSA-N 431.541 2.299 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740965329 HJJQZNIHIGRNOQ-IXDOHACOSA-N 448.568 2.171 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2oc(CCC)nc2C)C1 1740983458 JFGZVXTZXHQXCI-KRWDZBQOSA-N 428.537 2.479 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1741797455 VUIUZKNXNLYWNM-JKSUJKDBSA-N 425.493 2.207 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1741798045 DOSIMCUZKMFRHY-IAGOWNOFSA-N 446.577 2.360 30 10 IEEE CC1(C)CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 1741998330 GFRSKTWKVWIRKQ-PGRDOPGGSA-N 448.637 2.432 30 10 IEEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N2CCC(C)(C#N)CC2)s1 1742731987 GTYPXUHKMSSKTP-UHFFFAOYSA-N 428.566 2.323 30 10 IEEE CCN(CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C)C1CC1 1746332037 ARPSHDBOTPOJQW-QGZVFWFLSA-N 437.596 2.437 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1748757872 NJLHDABQTYSNIO-UHFFFAOYSA-N 445.527 2.286 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1748945369 RIEIOQQRKHWYFP-SFHVURJKSA-N 446.548 2.264 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2cnn(C)c2)CC1 1748999108 IUYLBOALUCZMLR-UHFFFAOYSA-N 437.523 2.118 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760097753 JNHVNFKMMCIZEE-ULQDDVLXSA-N 449.552 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCOCC1 1760119644 BXVMBYUTBBVTLE-HXUWFJFHSA-N 447.587 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760203243 YOXVJUBGXXKBHN-FQEVSTJZSA-N 426.542 2.185 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1760235523 PKMWHPOPCVQABG-GOSISDBHSA-N 443.552 2.136 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1cnc2c(Cl)cnn2c1 1760250300 YJHIZKPYXZKAMY-KRWDZBQOSA-N 443.939 2.197 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(COC)CCC2)CC1 1760264645 VHVKFVLWCDSEBC-UHFFFAOYSA-N 439.560 2.438 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760316911 YFVCCAJGSMMEQQ-ZJOUEHCJSA-N 432.613 2.419 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1760337440 QWGCIGBLEUTPSO-KRWDZBQOSA-N 437.610 2.422 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)CC1 1760405167 NGHOEEUCKCDMSU-UHFFFAOYSA-N 444.605 2.394 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760425666 SLAJPEKAAWNIIP-LJQANCHMSA-N 426.569 2.031 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1760448030 VYOBVIWYQMSDDS-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C)COC1 1760503401 HXSOVZBPOSQSLU-UHFFFAOYSA-N 438.532 2.350 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760695387 GOFHKJOYRXFZAE-GHTZIAJQSA-N 438.576 2.383 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1768958059 GWLIUJRSFNUGHS-KURKYZTESA-N 427.505 2.377 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CCO1 1769240605 GBBRXNXUYNUJBU-WBVHZDCISA-N 430.459 2.203 30 10 IEEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1770149626 YVXBBTFURXZREF-SFTDATJTSA-N 441.532 2.285 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1770862711 DCRFTRGKQFILAQ-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@@H]1C[C@H]1CF 1771216300 CTLFXAUEIJFKKP-RYQLBKOJSA-N 429.500 2.126 30 10 IEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)cc2)CC1 1850168426 SARQQKHJDAGGRH-UHFFFAOYSA-N 442.479 2.301 30 10 IEEE Cc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)c2)n1 1850984829 UEKJMVFFMQIWPN-UHFFFAOYSA-N 440.467 2.460 30 10 IEEE CN1C(=O)CC[C@H]1CO[C@@H](COc1ccc(C#N)cc1)CS(=O)(=O)c1ccccc1 1851327349 UEDYQGLNVYCXCM-ICSRJNTNSA-N 428.510 2.417 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)[C@H]2CCCCO2)c2ccccc21 1853997577 IDDXRXHXUJBSJG-GOSISDBHSA-N 425.466 2.196 30 10 IEEE COc1ccc(F)cc1S(=O)(=O)N1C[C@@H](OC(=O)CCc2ccc(C#N)cc2)CO1 1855448729 ARFQYEJMCRLHCF-QGZVFWFLSA-N 434.445 2.186 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)cc1 1858393883 MXDFFSCACKXKKD-KRWDZBQOSA-N 430.464 2.422 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN(C)C)cc1OC 1862564279 WNVYPLNLVRPJLB-HXUWFJFHSA-N 425.485 2.426 30 10 IEEE CCCN1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868774661 MSUWGGJZXVATFL-LJQANCHMSA-N 445.633 2.474 30 10 IEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN(CCO)CCCC 1870519136 FAICBVHEBYODFZ-UHFFFAOYSA-N 441.572 2.366 30 10 IEEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873593731 VEPBTGQHBKSIAW-UHFFFAOYSA-N 434.544 2.052 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2c(F)cccc2Cl)CC1=O 1874336203 AFUBPOPROAILEH-YGIQYRGZSA-N 438.916 2.255 30 10 IEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C2CCC2)cc(Br)c1O 1874492882 KBHWWIXVDLOVLD-FBCYGCLPSA-N 440.323 2.482 30 10 IEEE CCCNC(=O)CSc1nncn1/N=C/c1cc(Br)cc(OC)c1O 1874537947 GMQTZJPATHBMBU-FBCYGCLPSA-N 428.312 2.255 30 10 IEEE CC(C)c1nc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c2ccccn12 1889403663 BNOINJUWOREURX-UHFFFAOYSA-N 437.588 2.330 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)CC1 1889547405 JTNZPSGQRUFVRW-UHFFFAOYSA-N 449.599 2.443 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 1890179708 CLSRYLVYPUMAMK-UHFFFAOYSA-N 428.533 2.245 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 1902431337 OKKPVGLPRASZDT-MOPGFXCFSA-N 436.574 2.395 30 10 IEEE C=CC1(N[C@](C)(C(=O)O)C2CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1904334255 DMAFLGKNXLKEAM-FQEVSTJZSA-N 425.526 2.462 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 1963869558 OYOXSXWVTNHQTJ-NSHDSACASA-N 434.278 2.110 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1964922024 FCZMJQFKKUWKOV-VAMGGRTRSA-N 428.533 2.295 30 10 IEEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2195275456 XDVDQFVRHQMDFQ-WKRCXCSHSA-N 439.530 2.277 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CCO[C@@]2(C#N)C1 2221947476 KLKSEENGAUYPND-STSQHVNTSA-N 443.500 2.154 30 10 IEEE Cn1cc([C@H](O)[C@H](N)C#Cc2ccccc2Br)c(I)n1 2235735126 SPCMYPKBJCXVQR-OLZOCXBDSA-N 446.086 2.200 30 10 IEEE C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2243417089 LOLQLUQQVCWDKJ-NWDGAFQWSA-N 425.360 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247776644 BOSHWXJYNHOSKE-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248402746 AKJHCLMZVDBXBV-UHFFFAOYSA-N 439.343 2.017 30 10 IEEE CC[C@@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2255613861 GFUGIHRWQQCRMV-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629571 XRZHZIFEIZXHPF-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](F)C1 2255655001 GRQRXMWOQUHRLQ-CABCVRRESA-N 437.321 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](C(=O)O)C1 2255858509 NMYLNARSHPEBBG-KKUMJFAQSA-N 438.330 2.391 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255878496 ZOMIKJGNYUUWKA-HOCLYGCPSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255879501 PYWTZKVDAPDSSW-RCDICMHDSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2256737305 YBRVZJBJEVSRJD-UHFFFAOYSA-N 442.362 2.238 30 10 IEEE Cc1c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142959 AWPNRAPUORZHDK-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267155395 SPTLNYSDHAXLJZ-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267163744 JMKIAVDFRGQMPK-QFIPXVFZSA-N 446.357 2.153 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267197988 RPMPSVPQKIEMNH-UXLLHSPISA-N 443.353 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267270113 JOOJPQDSPDKBRU-UHFFFAOYSA-N 446.353 2.088 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267513629 PRABVGDPXXTLNQ-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@]34CC[C@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2267520158 LLLOHRYSUDNTBB-MHECFPHRSA-N 436.365 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267580100 CGWXJQFZFMRLAI-UHFFFAOYSA-N 446.353 2.088 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCOC[C@H]1OCc1ccccc1 2267599847 WLOPAMZLYZSIEV-PZJWPPBQSA-N 440.349 2.428 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCCC34OCCO4)c2)OC1(C)C 2267718404 SUUGILHMFSJGBO-AWEZNQCLSA-N 429.369 2.011 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CCC1 2268706185 JSMMWCRCUHAZNX-MRXNPFEDSA-N 447.341 2.128 30 10 IEEE COCC[S@@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282828619 RPYSTPDAUGNZLQ-RUZDIDTESA-N 443.805 2.134 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303623376 ZORGKLPJNOEKKV-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE COc1[nH]c(=NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501314 GWHQXWXDZVWAPO-CABCVRRESA-N 433.358 2.384 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1C 2337398927 WZYZBNLDLUQWCB-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)C#CC2(S(C)(=O)=O)CCC2)C1 2367839028 JNGKGLCVGOGJPW-NQIIRXRSSA-N 433.526 2.342 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2C1=O 22066915 XTSMMOOMVBJDLO-UHFFFAOYSA-N 435.392 2.123 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)[nH]n2)c1 238875505 NYBULKHOWKPNLA-HNNXBMFYSA-N 434.456 2.439 30 10 IEEE COc1cc(NC(=O)COC(=O)CON=C(C)c2ccc3c(c2)OCO3)cc(OC)c1 254819911 NSTYOCVAZKOPML-UHFFFAOYSA-N 430.413 2.355 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CC1 437924735 FQAFXCLHERZBES-UHFFFAOYSA-N 435.956 2.274 30 10 IEEE C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 468274339 KMFAWQKKUMVTMC-LJQANCHMSA-N 427.511 2.253 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C)[C@@H]3c3ccc(F)c(F)c3)CC2)c1C#N 472072319 DMOMRSZUBVIHBE-VQTJNVASSA-N 443.502 2.155 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CC1 476722590 JOMQIXULCLDAAZ-UHFFFAOYSA-N 446.910 2.189 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccn1 481367415 DQKPTDPAEVLXCW-MRXNPFEDSA-N 449.602 2.290 30 10 IEEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482506240 ISVHTPNNSJFNHZ-BPAFIMBUSA-N 447.557 2.195 30 10 IEEE C=CCNC(=O)CN1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 502107758 TULOYVQDOZZXFY-UHFFFAOYSA-N 434.294 2.330 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 508460453 CSDSKDXBWOCUNG-IBGZPJMESA-N 440.504 2.468 30 10 IEEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 509838926 MNLQFWZLWOSHGS-UHFFFAOYSA-N 440.529 2.090 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cc(OC)cc(C)n2)c1=O 540698764 YWMMPJAQWMZIJU-UHFFFAOYSA-N 443.569 2.167 30 10 IEEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 544726428 MXUGPNNXKNNSHV-UHFFFAOYSA-N 440.521 2.319 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4COCCO4)n3Cc3cccs3)CC2)c1 549568906 CWLGNONPXLMSFW-SFHVURJKSA-N 437.529 2.069 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=C)C)CC1 559010463 DADQCXBRMGFTFZ-UHFFFAOYSA-N 448.369 2.036 30 10 IEEE C=CCN1C(=O)C(=O)N(Cc2nc(Cc3c[nH]c4ccc(Br)cc34)no2)C1=O 570982830 CMJGYIMNPGKSIL-UHFFFAOYSA-N 444.245 2.381 30 10 IEEE C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 577770801 GZFYXMZESFUYAB-WMZHIEFXSA-N 442.523 2.286 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 580204327 CADJXHIDKOGMOP-RTBURBONSA-N 435.528 2.382 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603742868 RFFANKLZMUNPPC-UHFFFAOYSA-N 439.537 2.203 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1C#N 604001743 QTSDNENIXIJBNW-UHFFFAOYSA-N 444.472 2.407 30 10 IEEE CCc1cc(C#CCCO)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703973146 JTAAHKPCRSYYMO-UHFFFAOYSA-N 426.494 2.021 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 730137219 BXIOEGSIGXMLPN-KRWDZBQOSA-N 428.537 2.432 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCN1C1CC1 732648148 NVOQXERWJLSGOW-LBPRGKRZSA-N 426.214 2.012 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1c[nH]c2ccc(F)cc12 735061060 BEJLVJTXQRAFHE-UHFFFAOYSA-N 428.489 2.485 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C)cc3C)c2=O)cn1 735069571 WMOZXOYSRGJDKT-UHFFFAOYSA-N 449.580 2.150 30 10 IEEE O=C(NC[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1)Nc1cccc(F)c1 735855843 AGGPIVZZSLCWBD-IWKHNONTSA-N 443.479 2.102 30 10 IEEE C[C@@H]1OCCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O 757486337 PRRCQDKACJDKAU-QMHKHESXSA-N 448.475 2.229 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 766383198 QYBIDLMZGXCYSR-VXPUYCOJSA-N 447.333 2.010 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 780956451 VQSYLHKGZBTFDS-LJQANCHMSA-N 433.555 2.187 30 10 IEEE CSc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC2=O)cc1 781598789 CSTXULGQSSCCHJ-GFCCVEGCSA-N 433.486 2.277 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)c(F)c3)c2=O)c(C)n1 781658352 HITZHKPCLVFWBK-UHFFFAOYSA-N 436.468 2.094 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(C)cc(OC)nc3C)c2=O)cc1 781659105 OHUXHPNXHBVLDW-UHFFFAOYSA-N 432.505 2.345 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 783011777 CSKYRANKWZQJPF-FQEVSTJZSA-N 429.542 2.344 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OC[C@@H]3COCCN3C(=O)OC(C)(C)C)cc2C1=O 783165164 MEHJMNXCLSFURJ-HNNXBMFYSA-N 430.457 2.261 30 10 IEEE C#CCC(CC#C)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 806540215 RMFQYCIBTDKOST-UHFFFAOYSA-N 434.277 2.238 30 10 IEEE COCC(C)(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 813563744 NBBNYCUMROUICS-GOSISDBHSA-N 445.589 2.230 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@H]2CCCC[C@@H]21 813980212 WGZZMWBQXHQLOT-PVAVHDDUSA-N 434.518 2.326 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)c2cn(CCO)nc2C2CCOCC2)cc1C#N 856667002 FINCLFDPYMRELM-UHFFFAOYSA-N 427.461 2.462 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CCc2c(C)nn(C)c2C)C1=O 914690182 MDHPPWDANMPUJQ-GOSISDBHSA-N 429.546 2.356 30 10 IEEE CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916875682 HKMCCAWPKYUZIR-SJORKVTESA-N 438.550 2.098 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cc1nn(C)c(=O)c2ccccc12 925344539 RASPVNQDPYGHIQ-INIZCTEOSA-N 448.479 2.363 30 10 IEEE Nn1c(NN=Cc2cccc3ccccc23)nnc1SCC(=O)Nc1nncs1 1084013864 CDIGJCLPYPJTHF-UHFFFAOYSA-N 425.503 2.173 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccccc2[N+](=O)[O-])n1N 1084454704 PJJDQNMTDNREAR-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE C#CC[C@H]1CCCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1130302446 ADFKPDKRJUZMLK-SFHVURJKSA-N 440.569 2.418 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 1136768902 SLSJWZQRLQCMAK-LBPRGKRZSA-N 440.363 2.181 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(O)C1=O)c1ccc(Br)cc1 1159325076 QMSBSDPVMOMMTO-SCLBCKFNSA-N 442.310 2.295 30 10 IEEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F 1166457830 BZCHGRNMAWZGEW-UHFFFAOYSA-N 435.252 2.009 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCS(=O)(=O)NC 1286283320 RFOMXBHSRGDMKC-MRXNPFEDSA-N 443.529 2.124 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@]2(O)CCO[C@H]2C)c1 1286308047 DZMCCKSYBLQUPP-SAHWJRBASA-N 425.533 2.388 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1286334123 DJHATHOAOZHIMU-UGKGYDQZSA-N 428.537 2.045 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)C(C)C)CC1 1286472092 DIJQYIWNEGASDY-LJQANCHMSA-N 435.370 2.198 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1286481861 JMRWFVBGMCPUMI-OAQYLSRUSA-N 435.601 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1286495319 YLZAGKNFSWLXPU-RTWAWAEBSA-N 442.608 2.012 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1CCS(=O)(=O)CC1 1286515530 ZQMAHUSWSMCXAB-OAQYLSRUSA-N 435.594 2.013 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1286768441 IARMONGKYMNBHK-UHFFFAOYSA-N 426.521 2.307 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2F)nnc1[C@@]1(OC(C)C)CCOC1 1286793618 ZOIAVKLLWSSCDW-JOCHJYFZSA-N 431.512 2.396 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OCC 1288353899 AZWCMERITWMMJT-BXWFABGCSA-N 438.546 2.112 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1288521337 ZPDMSTVMLXGEDJ-MSOLQXFVSA-N 425.537 2.190 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1288999980 VEHGAOQIYVXYAO-LJQANCHMSA-N 433.516 2.383 30 10 IEEE C[C@H](COCC(F)(F)F)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1292281437 MROHWOXLEQNFJU-CYBMUJFWSA-N 435.468 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1C(=O)CCCC1=O 1293826714 MJKZHVRIPORUKX-HXUWFJFHSA-N 440.500 2.048 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1294879851 GCUMYFZZQIYIAC-KRWDZBQOSA-N 438.532 2.117 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1300404425 ZGUIOYVGNPFZBI-IBGZPJMESA-N 425.508 2.356 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1nnc(C)s1 1300458008 CYXORVZQWACDHM-UHFFFAOYSA-N 437.577 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300591634 UDDWFTOGVOQPEZ-GOSISDBHSA-N 442.564 2.119 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC)[C@@H](C)C1 1300743308 MFXOAMBLVJROKA-KRWDZBQOSA-N 447.630 2.245 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCOC1 1301493474 ZYVDOLUKMSMYCK-CYBMUJFWSA-N 438.301 2.374 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CC2)C1 1301539573 TZQCGFQMUCFFFK-HKUYNNGSSA-N 445.589 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(Cl)cccc2C1 1301585211 IMHFOCAFKOKNKF-QGZVFWFLSA-N 449.964 2.046 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(C)n(C)c1=O 1302267539 KAEZIVRJCPVPKK-PMACEKPBSA-N 440.548 2.188 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302274004 ZYFIIZMUWYICKA-ZWKOTPCHSA-N 445.568 2.221 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cccc(F)c2)CCOC1 1303507297 UEUZOKKEAUJYLV-UGKGYDQZSA-N 445.495 2.266 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C2CC2)c1 1303835764 DXGUIFBACRVJPJ-VLIAUNLRSA-N 432.525 2.256 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCN(C)C(C)C)CC2)c1C#N 1304730298 CCQCZCXRRZKRGP-UHFFFAOYSA-N 441.628 2.447 30 10 IEEE CN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314744504 LVXHNMPUBMQXAC-ZBKJMMEJSA-N 436.516 2.335 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)cc([N+](=O)[O-])c2N)n1 1322747586 XGCDCEABTKCRCX-UHFFFAOYSA-N 436.266 2.058 30 10 IEEE COc1cc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)ccn1 1350733498 FALBMDCBSQQLGV-NKFKGCMQSA-N 432.502 2.058 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1358889364 AUYQARQSNZDPHL-BBWFWOEESA-N 432.546 2.114 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C(C)C)N1CCOCC1 1358979454 NIHPTOBNFOVMCX-NFBKMPQASA-N 449.555 2.220 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1359106534 HLRJJEVGBXWXEF-JYRKZWEQSA-N 447.580 2.042 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1 1359109087 OUSXJDPELHNUNQ-UHFFFAOYSA-N 429.550 2.433 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC)C1 1359291880 DEDZPIQHWDLFDJ-OAHLLOKOSA-N 430.940 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccco2)C1 1359330389 QHFJURCBOMMMAJ-GOSISDBHSA-N 429.502 2.112 30 10 IEEE C#CC1CCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1452175236 ILWYEPUVUXVGFC-KRWDZBQOSA-N 440.569 2.416 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C2=O 1452944313 ANQZKQSQVAZSOV-KFCXZAFISA-N 426.517 2.187 30 10 IEEE CCCCCCN(O)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1458009883 HKKLPEKDIMDLKL-UHFFFAOYSA-N 427.567 2.433 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br)C(=O)OC 1464254606 IMSZVUURRYPUSJ-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE CC(=O)N(C)c1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1475445704 GOKQBPJNYGJKGX-UHFFFAOYSA-N 426.542 2.484 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1503257633 JPQUEXKQUOHPQQ-LJQANCHMSA-N 443.573 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507514261 CHNXHVKAJOCMDZ-ZSYWTGECSA-N 438.642 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCOCC1 1507528349 TVZNMDFHQJPRLJ-OAHLLOKOSA-N 446.349 2.414 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507593145 ITSGYGZLSRRCLY-UHFFFAOYSA-N 437.504 2.049 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)NCC(F)F 1507606952 CQXAWTBAVMTADA-UHFFFAOYSA-N 426.265 2.467 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1507631415 PFANMZXLXUTSDB-IBGZPJMESA-N 436.541 2.027 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1507668380 YXHXQMCMRVSVHM-UHFFFAOYSA-N 437.463 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1507736245 MXACWIIFAYJIMI-FPGHNAPASA-N 443.592 2.486 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1507740508 AQZAJWAKTFDDFJ-LJAQVGFWSA-N 433.603 2.157 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507756161 KRKBLSCHNBAOML-HXUWFJFHSA-N 440.617 2.179 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1507818334 WBEKBQSEZHJFMJ-UHFFFAOYSA-N 435.536 2.369 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1507848182 HKMLVYGDMHEVMD-IRXDYDNUSA-N 448.568 2.254 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507897437 JEQCXOHBCPIDGO-GHTZIAJQSA-N 438.594 2.300 30 10 IEEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507931059 QAWBAFKKPATDOW-UHFFFAOYSA-N 439.564 2.178 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507962253 OVXKXDCLZVXZEX-RXVVDRJESA-N 430.597 2.127 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(=O)NCC)cc2)C1 1508117741 NYFLFDUQPGWALY-FQEVSTJZSA-N 435.532 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCOC1 1508129819 CWWZSFMJHXZCRI-CVEARBPZSA-N 438.525 2.383 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1509225832 HXOPCLYDNYRQJI-SFHVURJKSA-N 428.512 2.229 30 10 IEEE CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1513481685 LSZJXVNQTDPRAL-ZRNYENFQSA-N 443.573 2.349 30 10 IEEE CCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCOCC1 1513623089 BQMJNRAZOPCWKX-AVRDEDQJSA-N 433.553 2.254 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CCOC2)C1 1515455979 VNBUPGAQAZABDK-SJLPKXTDSA-N 432.546 2.166 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cccc(C)c1 1519278242 PWLGHFNLBSFNLG-HTAPYJJXSA-N 444.511 2.183 30 10 IEEE C=CCN(C(=O)c1nn(C)c(C(F)(F)F)c1Br)[C@@H]1CCS(=O)(=O)C1 1528599665 BYTKZDJNOXJOSS-MRVPVSSYSA-N 430.246 2.017 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1535897318 MTACQGTVDXOYCW-QGZVFWFLSA-N 434.883 2.325 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)cc1 1538966182 VTPYAZQAUJUWIE-QGZVFWFLSA-N 431.500 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(C)(C)O)cc1 1539260785 UVIPXYUFRYRLBL-UHFFFAOYSA-N 431.496 2.354 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1539650211 LWZYYEHVFUKISK-ZDUSSCGKSA-N 435.579 2.344 30 10 IEEE N#Cc1cccc(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1Br 1540549288 IRQGSDIOJGMJBP-SFHVURJKSA-N 427.302 2.305 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1540870520 PLONHUJCJJXXAT-QGZVFWFLSA-N 448.474 2.175 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CC=CCC1 1540874451 HEXXQCGIHRZCKC-INIZCTEOSA-N 428.562 2.364 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2nnc3n2CCCCC3)CCOC1 1541715872 UBJQBPRJSMZFPB-VGSWGCGISA-N 442.568 2.423 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547498296 JJEATPZQQMDCCF-OAHLLOKOSA-N 433.520 2.000 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1555812349 AFZMSYAJULZORT-INIZCTEOSA-N 446.602 2.088 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](O)C4)c3)cc2C1=O 1556064549 HHANMMRROUCCHH-GOSISDBHSA-N 433.464 2.318 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1556335308 KZANPXFGJJTWHZ-HXUWFJFHSA-N 439.509 2.500 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccccc3CC#N)CC2)CC1 1557559589 CRFDCWHFEUOXHQ-UHFFFAOYSA-N 441.532 2.183 30 10 IEEE COC[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCCCN1C(=O)OC(C)(C)C 1587690493 CZODTEOTOIBLMW-QHCPKHFHSA-N 443.548 2.408 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1587718612 KBZPXGNDXVABFP-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1587765989 NJBYKZSWRYSWJC-IBGZPJMESA-N 427.553 2.379 30 10 IEEE C#CCCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1587793527 PHXGJHOZPLGSRW-XZOQPEGZSA-N 431.581 2.035 30 10 IEEE C#C[C@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CCOCC1 1587815784 ZMAYIGPDVFXIIG-IBGZPJMESA-N 448.566 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1c(F)cccc1F)N(C)C 1588074827 STAOTUNLYVQDSD-GOSISDBHSA-N 428.487 2.070 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1589581983 XRNDWPQZRRBHIR-OALUTQOASA-N 446.596 2.131 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1593746432 FBFKNZMWAFBKGE-QFIPXVFZSA-N 440.527 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCOCC2(CC2)C1 1595823983 UUHGOTFWCZUGLT-UHFFFAOYSA-N 446.573 2.383 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595884531 MXFJYLKAVLHQQJ-QGZVFWFLSA-N 445.593 2.217 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1597929383 DXOZXTCUXWNEQD-QGZVFWFLSA-N 426.521 2.380 30 10 IEEE CN(C)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1617685290 HWEQLNXBVXANPR-HSZRJFAPSA-N 448.506 2.477 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)s1 1617840983 IJQMAHAHVVWTLS-UHFFFAOYSA-N 428.576 2.335 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1618045202 FRFUGDCDWPWYKS-FWWJWKNHSA-N 436.463 2.138 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br 1618347048 GCRVDOHTWMZBOH-UHFFFAOYSA-N 448.293 2.285 30 10 IEEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)ccc1OC 1621785491 AJIRAXRJOOEPBA-GFCCVEGCSA-N 435.433 2.428 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1625650970 XFZFOMZCDNKFHF-RTWAWAEBSA-N 425.526 2.390 30 10 IEEE CC(=O)c1ccc(Br)c(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1627110523 XWOSOTXJCRCBFB-BLLLJJGKSA-N 426.292 2.054 30 10 IEEE CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1630397146 DPCZISSRMXOYIB-MJGOQNOKSA-N 440.500 2.045 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c1 1639101018 NIMAZHNLRXQVOW-UHFFFAOYSA-N 434.464 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4ncc(C#N)cc4F)CC[C@H]32)CC1 1640028891 DPWXWQHLNLUABX-ZWKOTPCHSA-N 444.511 2.464 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 1649429536 TVWHSEUWOUCFIB-QFIPXVFZSA-N 434.544 2.122 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)C1 1651805499 LMZLCDTUAGLQOL-RBBKRZOGSA-N 427.570 2.357 30 10 IEEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1C 1652129523 BFJZZUGOBYAYGJ-UHFFFAOYSA-N 437.525 2.058 30 10 IEEE Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1654154763 HRGHZQIFZRYTFO-KRWDZBQOSA-N 432.532 2.448 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1672882646 NKJFKASDHZEZAF-UHFFFAOYSA-N 442.497 2.011 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1676182329 NHGZQZUUIHIJSL-IXDOHACOSA-N 443.552 2.071 30 10 IEEE CNC(=O)[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)Cc1ccc(F)cc1C 1682269526 RHYLEDHJYIAHHF-QUCCMNQESA-N 439.491 2.168 30 10 IEEE C#CCN(C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1687837983 BATZHCHDCKOCHX-QZTJIDSGSA-N 441.594 2.246 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1689832120 WYRBRVTWFIPPME-BEFAXECRSA-N 431.500 2.248 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1689850386 ATFDFQZOPCQSDT-IEBWSBKVSA-N 442.589 2.072 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1689866903 MVYIKGNUURSZHD-IECFSIQFSA-N 433.553 2.047 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1689901228 FQDNNZHCOHTSOK-UHFFFAOYSA-N 438.580 2.327 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1689901686 OQNCVLNJVKILCV-MSOLQXFVSA-N 443.573 2.457 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1689907613 FNHGBYIHGNYDCI-UHFFFAOYSA-N 440.573 2.260 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1689949376 AJVLFMIFPCGXOG-OALUTQOASA-N 437.523 2.369 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1689989324 DGSHMMAKSGSBHV-ICSRJNTNSA-N 444.557 2.095 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NC2CCCCC2)CC1 1690117337 DMCMNZLBOHQAHE-UHFFFAOYSA-N 436.560 2.158 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1690133365 DTJPBRWXPGNUFD-WJOKGBTCSA-N 445.564 2.053 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCO[C@@H]2CCOC2)CC1 1690135581 ZLAPYIULROZGPS-NJDAHSKKSA-N 445.608 2.148 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1690449511 JEDDXNMURIJBOO-LPHOPBHVSA-N 428.624 2.231 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1690508570 LHNMHSJVHSJKIR-FQEVSTJZSA-N 430.574 2.378 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690508748 OREKDSAIOUVPQQ-SFHVURJKSA-N 432.594 2.462 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CCCO2)C1 1691285124 WQUBQLTXZRMQPY-GEYWLOKFSA-N 446.552 2.347 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccc(C(N)=O)nc2)cs1 1693351523 KTVGRIBHRIXESW-UHFFFAOYSA-N 436.545 2.306 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1697996223 ILBBMALYYDBNCZ-QFIPXVFZSA-N 437.592 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1705478524 CUSUNPFVVLKDTM-ZHRRBRCNSA-N 426.521 2.316 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705518398 KUENRTVRXUNMHX-SFHVURJKSA-N 433.553 2.330 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1705569741 GMOLZDBKTDUWFO-KRWDZBQOSA-N 433.578 2.401 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705569829 KKMNZSBFHNXGAD-HXUWFJFHSA-N 439.516 2.078 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Sc1ccccc1 1705582483 BVXXICIAJQGPQP-MSOLQXFVSA-N 428.583 2.434 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1705633319 OIAQGJJJENXFBI-RBUKOAKNSA-N 437.596 2.048 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705735229 LZKMOZIEPLUAGU-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCN2CCCO)CC1 1705771396 RKNUHUQVLBZNLX-GOSISDBHSA-N 444.605 2.273 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1705869068 KYISDYWNVFQGKH-HXUWFJFHSA-N 425.581 2.196 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCOC2)cc1 1705911910 TZBFUQJICFKGFO-ROUUACIJSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705931888 DSDRZOIAIZECNX-GOSISDBHSA-N 441.561 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccs2)CC1 1705931919 FUDKEGYNXQCREC-UHFFFAOYSA-N 432.575 2.262 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)c2ccccc2)CCOC1 1710482205 BRPLLQAEBPIGLO-PXNSSMCTSA-N 433.459 2.451 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1710704967 RVFDBMZSXYJMJW-OXJNMPFZSA-N 426.512 2.301 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H](O)C1 1711245060 NJDGPZFZWNSNGF-NUEKZKHPSA-N 449.353 2.326 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1712102509 YDIZVTDBPLXRNA-KDOFPFPSSA-N 426.521 2.162 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)cs1 1712224887 HOVWFGFBSWFXEK-AWEZNQCLSA-N 437.529 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1722277359 MYBJXBWTQUBLBI-HUUCEWRRSA-N 447.561 2.053 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1722296558 RPSDLKZCOMZKTM-MJGOQNOKSA-N 446.573 2.020 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1722344249 OAEAUFUBYXCXKU-NRFANRHFSA-N 432.908 2.473 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc2c[nH]nc2c1)[C@@H]1CCS(=O)(=O)C1 1722365276 DLGCYAWLUZZMOX-LJQANCHMSA-N 440.573 2.222 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1722366580 IVYVWHTUBFORCF-QZTJIDSGSA-N 440.635 2.332 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)cc2F)CC1 1722429941 VLGKKBKSINOSEK-UHFFFAOYSA-N 426.540 2.448 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NCCC)CC1 1722434377 QJLWSFYHICLMAF-KRWDZBQOSA-N 440.617 2.413 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722457308 ATJUCPXKZKLUCA-UHFFFAOYSA-N 440.964 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 1722723895 HZLWWBWWISCSFR-OALUTQOASA-N 445.589 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1722729804 XSMBTYWYSFXJMB-LJQANCHMSA-N 447.580 2.283 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722858933 WKRBJBLUNSTUKP-CTNGQTDRSA-N 438.532 2.260 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)C1 1724012835 ZYZRTVADEBEGCE-FQEVSTJZSA-N 428.562 2.343 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 1729631631 CPOJFZRCYNPJNM-SFHVURJKSA-N 439.564 2.033 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@@H](C)OCCOC)nnc2N2CCC(C#N)CC2)c1 1729650284 FRMUATVKSPIXKT-QGZVFWFLSA-N 440.548 2.344 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1730883315 HMUUZADRVGLNJF-JOCHJYFZSA-N 444.511 2.240 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nncn1C 1740558733 XEIPEAYIQJZABI-CYBMUJFWSA-N 430.310 2.254 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740617265 OPSGOWXMRQLQNN-SFTDATJTSA-N 427.574 2.050 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cc(C)on2)CC1 1740707955 WUXHPCDYLGLDAF-UHFFFAOYSA-N 448.527 2.476 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 1740739253 QDJKRBFQIBWQLB-MNOVXSKESA-N 442.330 2.278 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1740775443 ASKKCKIUCLYZOX-UHFFFAOYSA-N 428.562 2.496 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1740786125 QTGVQJNGMLXVSG-INIZCTEOSA-N 433.557 2.388 30 10 IEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1740788437 SRXHGGWENFAGRO-KRWDZBQOSA-N 425.541 2.149 30 10 IEEE C=CCn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1740950234 XZRYBVUZLNXZFT-JXHRLWIKSA-N 443.596 2.369 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC)CC1CCC1 1740990218 MOYDZHYNOCHTDV-UHFFFAOYSA-N 435.550 2.233 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cccn2)c1 1741804660 HCLLLSLSWFLZLQ-GOSISDBHSA-N 432.532 2.432 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)C1CC1 1747547215 BICOEGQZNCCMNC-WBVHZDCISA-N 448.369 2.115 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1748775036 CCUCUZVZAKAJHK-UHFFFAOYSA-N 440.554 2.235 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1748816475 ZXZIBZDNCZSDMZ-IAGOWNOFSA-N 440.660 2.411 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748935126 OIQFWIIFSWUTPP-NRFANRHFSA-N 449.603 2.071 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccccc1N1CCOCC1 1748956212 MPTIDTFWLCJGIQ-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(CN2CCOCC2)CC1 1749141429 ZBMDXZWBFMICSB-IRLDBZIGSA-N 433.597 2.344 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1749487593 FIMAZWUPOFBKKZ-JKSUJKDBSA-N 439.582 2.202 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](COC)C1 1749650539 AUFAQIPIHGIKQA-RTBURBONSA-N 443.548 2.189 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1749666117 HPKJLBMWHSXTMK-QGZVFWFLSA-N 449.559 2.367 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749741109 PSIPLWIEFQSKQR-KRWDZBQOSA-N 444.609 2.231 30 10 IEEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cs1 1751425511 KNWLYQOELPJXID-HNNXBMFYSA-N 428.543 2.417 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](C)N(C)C)n1 1751621506 HBGVEGTWSHEEIM-GOSISDBHSA-N 431.548 2.192 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1760112428 GSIXOPGEVWAWAO-FUHWJXTLSA-N 444.580 2.377 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760144273 JYBMMLXCVAXUJM-OAQYLSRUSA-N 443.640 2.215 30 10 IEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760187019 SMUHSYGVTSEDFZ-MAUKXSAKSA-N 448.932 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N1CCOCC1 1760198517 KALYZYCHIPETRC-QGZVFWFLSA-N 427.936 2.401 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760222253 CRKZNDYTHDABGY-QYZOEREBSA-N 445.564 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@@H](F)C2)CC1 1760264627 ATHYQLGYCGIPER-SJLPKXTDSA-N 446.571 2.301 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760264887 YLNIGASCYDKEAA-LEWJYISDSA-N 434.544 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1760270777 ZPJMDWKVNXHCPJ-UHFFFAOYSA-N 446.559 2.276 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760280012 GXYJVHXDBLXTPY-HNNXBMFYSA-N 445.545 2.389 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)C 1760481987 OKDWPFWPRXAVOJ-FPOVZHCZSA-N 438.532 2.155 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(OC)c2)C1 1760543873 TUZQPPNRUQBTCT-QUCCMNQESA-N 446.573 2.213 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)(C)C 1760689912 HIPCQILTVUTDHC-OAHLLOKOSA-N 446.577 2.249 30 10 IEEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1F 1766911851 METFERFFDDXRHF-KRWDZBQOSA-N 446.552 2.174 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1767958794 BQRANYNCKQXXCX-RTBURBONSA-N 427.505 2.068 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCCCCO)c1 1768524210 QDHGPASPZNOMFT-UHFFFAOYSA-N 446.577 2.098 30 10 IEEE COCCN(C)CCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769778194 HURAECIDGWXQRF-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1770826071 CLKQQQGHAYGGTF-NRFANRHFSA-N 430.553 2.087 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1771112036 DTEQULMFJZPVIN-QGZVFWFLSA-N 444.502 2.423 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(C)CCCS1 1771219936 SWTLCLXBNDLSSU-PLMTUMEDSA-N 434.610 2.464 30 10 IEEE N#CCCN(Cc1cccnc1)C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 1851724541 PAILCUDMWCQYIU-NRFANRHFSA-N 432.590 2.393 30 10 IEEE Cc1ccc(-n2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)nn2)c(C)c1 1851995685 IXBBUMMNNDQKMT-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE C#CCCN1CCN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)CC1 1852688858 PXIRKLFWHZKSRN-UHFFFAOYSA-N 446.960 2.098 30 10 IEEE CC(C)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2cn3cc(C#N)cc(Cl)c3n2)CC1 1852801551 ZHSRXJPZOYECSX-GOSISDBHSA-N 428.924 2.017 30 10 IEEE COC(=O)[C@@]1(NC(=O)c2cnc3c(c2)c(C#N)cn3C)CCCN(Cc2ccccc2)C1 1852848666 FUZOVMCBSWLLHI-XMMPIXPASA-N 431.496 2.383 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](CN3CCC(C#N)CC3)CCC2=O)cc1 1853683005 RBSYZSJSDRXUDA-IBGZPJMESA-N 431.558 2.023 30 10 IEEE Cc1ccc(OCC(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)cc1 1856130879 ZLDZCFSFZHQXNZ-UHFFFAOYSA-N 427.482 2.024 30 10 IEEE C[C@@H](C(=O)O)n1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)cc1C(=O)O 1857885942 XHJFTTKEVXDCDV-JTQLQIEISA-N 445.453 2.022 30 10 IEEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 1869928434 XZGYNRLVLQRINP-SJLPKXTDSA-N 435.933 2.253 30 10 IEEE C#CCOc1cn(CCN(C)C)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870563783 OZBVMUZMPKORAZ-UHFFFAOYSA-N 428.964 2.398 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CCN(C)CC1 1870700103 ZDLUGQDQSQJRPY-UHFFFAOYSA-N 440.544 2.198 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc2c(c1)OCCO2 1874445278 UXKOLFMQNVTQKL-LTNVFZTJSA-N 431.518 2.401 30 10 IEEE COCCCn1c(C(=O)NCC#CCN2CCCCCC2)cc2c(=O)n3ccccc3nc21 1889675427 XRBLVTCWLDRQFV-UHFFFAOYSA-N 449.555 2.295 30 10 IEEE COc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2Cc2ccccc2)cc1C#N 1891931631 OJAJYIPTJVYCNJ-UHFFFAOYSA-N 443.463 2.220 30 10 IEEE CCN(CCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 1900466689 JMCYPUVXTAJONX-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](O)C#CC(C)(C)S(C)(=O)=O 1901324022 QJRKDSQECZWALU-IBGZPJMESA-N 438.590 2.201 30 10 IEEE COc1cc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2[C@@H]2COC(C)(C)O2)ccc1C 2033814595 WUUWCHDRLBOBAZ-DZGCQCFKSA-N 431.470 2.417 30 10 IEEE Cn1ncc(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c1I 2045315821 XSYXFZNRDFXIIK-GDNZZTSVSA-N 443.094 2.189 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060637214 INZFBCWGZVFRCA-JYJNAYRXSA-N 437.390 2.382 30 10 IEEE C[C@@H](C#N)N1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2060821665 LNOAGFLCGOSNIB-YADARESESA-N 441.576 2.212 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124534444 ICRJYHRXXUWCGZ-GOSISDBHSA-N 448.369 2.184 30 10 IEEE C#CCN1CC[C@@H](NC(=O)c2cc(Br)ccc2I)C1 2139351564 VLRNAHMGGCWEID-LLVKDONJSA-N 433.087 2.491 30 10 IEEE N#Cc1cncc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c1 2174785057 UTCFNXXXMLYRAI-LSTHTHJFSA-N 426.498 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@H](N)C#Cc1ccccc1Br 2227493779 RIQRDUHYWAJRQW-HZPDHXFCSA-N 445.379 2.456 30 10 IEEE Cc1cnc(N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232277842 HQWCHHKLHSHDKJ-QFIPXVFZSA-N 447.341 2.247 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2[C@H]1CO 2232307285 RRPVNCSLHABIGV-CGTJXYLNSA-N 445.369 2.045 30 10 IEEE C=C(CS(=O)(=O)N1CC(C)(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243434951 ICJDTHAWJHQDMV-UHFFFAOYSA-N 430.376 2.350 30 10 IEEE C=CCCC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2247412346 YZUXGOGHKMNUHP-HZPDHXFCSA-N 439.553 2.286 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 2247555833 DTLMWGTYNNAQPU-BXFSZVDSSA-N 437.537 2.045 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247901758 PEPYZHAHBIOQKP-CVEARBPZSA-N 442.387 2.445 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255533800 YHBYVMZFUYFNFA-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE CCN(CCN(CC)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255616841 RPJYXQGWUHQYPW-UHFFFAOYSA-N 436.362 2.428 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255626731 JSMKAKMCFGIISB-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CN(Cc4ccccc4)C3)cc2)OC1(C)C 2255751162 WDEZVULVVMNBNG-UHFFFAOYSA-N 442.390 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CC(Oc3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)C1 2266705266 COEHJEQEFLJTRH-MRXNPFEDSA-N 445.369 2.453 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267013086 FBCNUTNPBODTAB-XLIONFOSSA-N 438.381 2.360 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268651042 MYZAKFPFKVSUBP-KSSFIOAISA-N 446.353 2.102 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@@H]2C1 2269008248 UGFBTJGWJKEEJM-IAGOWNOFSA-N 449.332 2.344 30 10 IEEE O=C(C=Cc1ccc([N+](=O)[O-])s1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2323231405 SDQWNRJCBLEDAL-UHFFFAOYSA-N 429.454 2.312 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 2337200668 LHMMGAVEIIEAJC-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C[C@H](C/C(N)=N/O)NC(=O)c1cc(I)ccc1Br 235415598 GTWAOEGMXZOAJV-ZCFIWIBFSA-N 426.052 2.309 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)CC1 441212449 SKOKDJCGWAQPPB-ZWKOTPCHSA-N 439.516 2.203 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CCN(C(=O)c2ccccc2)CC1 443125199 VGYAHMDHORUYEN-UHFFFAOYSA-N 428.470 2.297 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C#N)cc3)c2)C[C@@H](C)O1 460269803 SYOWWHVNGZHRBR-CALCHBBNSA-N 443.525 2.165 30 10 IEEE N#C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 485636232 HISLSLSAMOMHTL-CYBMUJFWSA-N 443.213 2.334 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 487038149 GSNANWBMINVHNX-CQSZACIVSA-N 446.573 2.169 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(CNS(C)(=O)=O)CC2)n(C2CCCC2)c1C 510249552 AAZNVBUIFCFKMZ-UHFFFAOYSA-N 435.594 2.291 30 10 IEEE COc1cccc(N2C[C@@H](NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)CC2=O)c1 523220707 ALXNUZVCYFNKJD-FQEVSTJZSA-N 435.528 2.446 30 10 IEEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc([N+](=O)[O-])cc1F 544604823 ZHUWYTJRMXPWNH-AWEZNQCLSA-N 446.460 2.242 30 10 IEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549276180 SRAGXBKLZXFRCX-UHFFFAOYSA-N 435.532 2.162 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](c2ccnc(N)n2)C1 563288692 AKCIEAPYLUZXSR-QGZVFWFLSA-N 425.537 2.203 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 577464281 MDXCPQRLDQTYOV-UHFFFAOYSA-N 445.491 2.214 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC(=O)N2CCOC[C@H]2C2CC2)CC1 611530710 XQIJQEKKRLEEFX-PMACEKPBSA-N 447.377 2.269 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)cc1Br 618994582 CCBDTARVCGIFIV-HNNXBMFYSA-N 449.286 2.383 30 10 IEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669808548 GVADIAOEOLEYLA-HNNXBMFYSA-N 442.545 2.238 30 10 IEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 670206693 BWIOWIOIHCBZLJ-UHFFFAOYSA-N 435.532 2.162 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O 730143201 RYEGICSLTBNOGH-INIZCTEOSA-N 435.550 2.482 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cccs2)C1=O 730144492 NSQRJHNDEAAHLV-YQMDHOPXSA-N 445.614 2.254 30 10 IEEE CCOc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OCC(=O)N1CCCCC1 732650294 MXRZCUCAUOCBBS-FQEVSTJZSA-N 440.544 2.289 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3nnc(CCC(=O)OC)s3)ccc2c1=O 736272840 WHCHZGFEAQDKPY-UHFFFAOYSA-N 431.499 2.081 30 10 IEEE CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 743908780 HNZTXPLNAWLLGN-INIZCTEOSA-N 432.546 2.261 30 10 IEEE COc1cc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1OCc1cccnc1 746123462 AFZUWIJQSGIJOV-FCQUAONHSA-N 436.468 2.202 30 10 IEEE C=CC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccncc1 749725130 KMKGCZVPVKDCOB-QUCCMNQESA-N 443.525 2.406 30 10 IEEE C[C@@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 752613613 IDUNGNMPZCAQOY-MRXNPFEDSA-N 435.546 2.268 30 10 IEEE C[C@@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C(=O)NCC(F)(F)F 768665758 PRYKHNOOUJYUSC-RXMQYKEDSA-N 445.238 2.137 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CO)CC2(CCC2)C1 790086104 CPOPLXHXGGBQQG-KRWDZBQOSA-N 433.574 2.343 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 794838402 OBSCVKPTERSOOR-QZTJIDSGSA-N 426.494 2.037 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)n1 799415581 HHBGISDAZGNXBM-PBHICJAKSA-N 440.508 2.214 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCO1 802687273 PJMSONVTVSPQJW-MOPGFXCFSA-N 438.532 2.221 30 10 IEEE CCN(C)Cc1cc(O[C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)ccn1 856589096 FINRSOIHBXUQRC-NRFANRHFSA-N 428.558 2.332 30 10 IEEE C=CC(C)(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1128868366 MSKUOARTCKXMOW-UHFFFAOYSA-N 441.981 2.282 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1130455827 IPISUKVYSJGYKJ-DZGCQCFKSA-N 440.422 2.483 30 10 IEEE Cc1cccc(CN2CCO[C@@H](CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)c1 1132371250 CPSVFRXFELDKSD-GGAORHGYSA-N 432.524 2.237 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCc2ccc(C(N)=O)cc2)n1 1143258945 CNWZQCOLWMOQBB-UHFFFAOYSA-N 428.543 2.470 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1sc(C)cc1Br)c1cc[nH]n1 1167232230 VZZCWPIHQPDADY-UHFFFAOYSA-N 429.296 2.142 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C[C@@H](O)c1ccc(C#N)cc1 1171840066 AIMVIUGQKKAGHO-BBWFWOEESA-N 441.450 2.445 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1188568980 GNUCYSPXGFZYGB-KRWDZBQOSA-N 429.539 2.021 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1211403946 AJVGGMXNMFPTQO-IBGZPJMESA-N 430.482 2.253 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CC1 1213774217 YBGBFGYFODTRNG-UHFFFAOYSA-N 434.480 2.389 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CCOCC1 1214355339 ZVBHKVUUNLAYTA-IAGOWNOFSA-N 435.546 2.179 30 10 IEEE Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c(C)c1 1251295263 CCFAIFURJWEZAH-MRXNPFEDSA-N 427.530 2.453 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286339342 NQQSQOSOQHRMDZ-UHFFFAOYSA-N 426.546 2.090 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1286371173 HABLMFBZJHJTKN-UHFFFAOYSA-N 440.554 2.235 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O 1286422507 ADMWNGDQMJQAGB-UHFFFAOYSA-N 434.949 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N(C)C)CC1 1286493850 GXBYFELCBILLNG-DFQSSKMNSA-N 444.624 2.113 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286542984 FZCSOQNKVZZEBF-UHFFFAOYSA-N 446.415 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286547404 OOIUYMOJMVISJS-UIOOOSCTSA-N 447.580 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286553937 WHLHVVYCDJMWEB-AQNXPRMDSA-N 441.557 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H](C)C1 1286814345 QBVWAEXQIWCFRY-HOTGVXAUSA-N 432.550 2.009 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1286961132 RPZADYMUTAVAMN-IYJORBIASA-N 445.568 2.460 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@@H]1CCCS1(=O)=O 1288370744 USLUMOYOFZCINU-ZDUSSCGKSA-N 445.335 2.182 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCC 1300538717 UTJUJBHOMPTSJL-LJQANCHMSA-N 445.564 2.476 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NC2CCCCC2)CC1 1300707261 XVSOAKZQFZEHDA-UHFFFAOYSA-N 434.588 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCCC2(C)C)CC1 1300719590 HPPRMMCSGQPBCB-XMMPIXPASA-N 436.560 2.247 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300863969 WXNLAMTWIKJSDW-FQUUOJAGSA-N 443.298 2.025 30 10 IEEE COCCN(C)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301728138 VRYQJIUXKIXIKJ-UHFFFAOYSA-N 433.516 2.058 30 10 IEEE CON(C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1302331755 JXUSGIGHRKMNLN-ICFOKQHNSA-N 447.293 2.232 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1304880729 DTPKMNLXBMNDOZ-QGZVFWFLSA-N 440.529 2.493 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1305766025 BURBQNSJWOHJAZ-QFIPXVFZSA-N 445.612 2.437 30 10 IEEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)cn1 1313107267 HWJPYMUEFKMOIX-BGOLNKOXSA-N 440.573 2.259 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2OC(C)C)CCOC1 1314138804 FBBOOAZNZANAOB-WMZHIEFXSA-N 441.532 2.494 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1358894372 NEXLARNOHBCUGW-MSOLQXFVSA-N 434.544 2.303 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1358955113 DTXSBHNCWMQIOV-SFHVURJKSA-N 445.589 2.434 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1358960274 AQFCTVCRQAONGD-CYBMUJFWSA-N 448.961 2.125 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358961168 SLXIKOWXLQWEAZ-KRWDZBQOSA-N 442.932 2.064 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1358962235 MNTYTEAGCSASID-IAGOWNOFSA-N 449.602 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)N(C)C)CC1 1359043326 QDSBMRRLJQHGSD-HXUWFJFHSA-N 439.608 2.226 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CCO)CCc1ccccc1 1359075690 CCGYVWXKALBSDC-UHFFFAOYSA-N 448.365 2.464 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1 1359090051 UDEULATZDOHHEO-PMACEKPBSA-N 430.597 2.273 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359124758 BZCBNXYWNZDNGZ-NFBKMPQASA-N 432.613 2.111 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nnn(C)n1 1359278906 LCWIACMJCJPUQO-AWEZNQCLSA-N 428.566 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1359329826 WFNOLXKOBWVMSM-JOCHJYFZSA-N 441.557 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCCOC1 1359335625 QDIUZCDRYSACJO-ZFWWWQNUSA-N 442.492 2.293 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCC1 1359468395 KRQPGVQVCSMZAA-CQSZACIVSA-N 432.506 2.416 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1360603519 IBEMZAZGVQCDRK-SJORKVTESA-N 430.940 2.296 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C1 1360793314 CWYWLVGDJJKMHL-XMMPIXPASA-N 449.559 2.311 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(n2nncc2I)CC1 1470007228 IPTKDFHWCXZCRO-SWLSCSKDSA-N 445.305 2.210 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)c1 1470231920 RHAGAOLILVUZOG-ZWKOTPCHSA-N 435.546 2.116 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CCC(=O)N1CCOCC1 1503463829 HWNUASVBCQCEPN-UHFFFAOYSA-N 445.527 2.021 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1507571980 TWGJCPDLQTUTDN-BZSNNMDCSA-N 430.509 2.075 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)oc2ccccc12 1507642351 JCSIYUWGNQPVMK-HNNXBMFYSA-N 425.514 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507661074 LXQZHRZKQHTRCA-QDSKXPNFSA-N 442.560 2.120 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnn(CCOC)c1 1507687026 JFEOWUTVKAIFGP-UHFFFAOYSA-N 430.516 2.482 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCO[C@H]2C)C1 1508114503 DIPMVWXHFNSFHS-XAEMIUIASA-N 444.532 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](CC)C1 1508135161 FCMLOMUHSZJPIV-DOTOQJQBSA-N 448.545 2.278 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1508415278 BAJADOLABZVUPJ-HOTGVXAUSA-N 430.509 2.045 30 10 IEEE CC1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1510319971 WIFLJKFGTQMVMZ-KRWDZBQOSA-N 428.562 2.477 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)O1 1513535661 ODUIIPHQCVOYMT-ACZWYYKOSA-N 438.598 2.366 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)ncn1 1517612644 BDRXVTHOVIXKBK-RCCFBDPRSA-N 439.568 2.269 30 10 IEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CCOCC1 1519914754 FOFXHMMUWCFOEN-OAHLLOKOSA-N 428.562 2.429 30 10 IEEE C[C@H](Sc1nc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1)C(N)=O 1528558008 CIKMUNPIFWPICD-AWEZNQCLSA-N 431.587 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCC2)CC1 1539483347 YAJVXJYRFUDIMX-UHFFFAOYSA-N 438.551 2.070 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCN1CCOCC1 1539634264 AGRFHBPEIDXKCW-IFMALSPDSA-N 426.565 2.014 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539750512 QNDSZEFGIZTJSQ-JOCHJYFZSA-N 431.487 2.456 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539780381 OVPVDWQUXSNYRH-MRXNPFEDSA-N 430.896 2.179 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 1540398836 KLCAKIKNOXAXBH-WCCYLALTSA-N 442.516 2.351 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)(C)O)C1 1540889663 RCZONORNUYUBJD-MRXNPFEDSA-N 448.593 2.181 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540903066 XTYVRMMOGBCDSJ-RTBURBONSA-N 448.593 2.467 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540910776 NORJKQIFKZYIQG-QGZVFWFLSA-N 443.533 2.329 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccncc1Cl 1541926194 OJJJYBGOLMAFEM-ZDUSSCGKSA-N 437.957 2.115 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1556361762 HKTSJPPQENUAII-OAHLLOKOSA-N 438.912 2.137 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1557241962 XALBKYYCGMRFJA-IBGZPJMESA-N 428.514 2.091 30 10 IEEE C#CCN1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CC1 1565814625 BHKVOWZISMNGLZ-UHFFFAOYSA-N 436.472 2.162 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1587855840 CFBPJPHLWVJWEW-INIZCTEOSA-N 427.471 2.480 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 1588059175 JRSBPOJWKHZJCQ-KRWDZBQOSA-N 444.557 2.270 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588117516 JUUNQKIJDJEWOU-NRFANRHFSA-N 436.535 2.100 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H](C(C)C)N1CCOCC1 1588149266 LQNFBZWLGHYDDM-JOCHJYFZSA-N 435.572 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc2c(c1)OCO2 1588159174 RDSZMWBKVBHIAS-UHFFFAOYSA-N 432.484 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)[C@@H](C)CC 1588219326 QJEPADQXCDFWLF-AVRWGWEMSA-N 446.555 2.452 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1593740967 HRXFFMXRXZHFCO-UHFFFAOYSA-N 445.589 2.400 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)cc2)C[C@@H](C)O1 1597706350 ZGODXRZSWXOPDH-MRUHUIDDSA-N 439.537 2.253 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1C 1610313012 GFFKPMUKDRBSKA-DLBZAZTESA-N 446.577 2.291 30 10 IEEE CCOC(=O)c1n[nH]c(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 1611154393 KJJAZXXNZXGMLJ-UHFFFAOYSA-N 430.896 2.429 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1614351638 AYRXLNPJESKNKI-LPHOPBHVSA-N 437.548 2.290 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cc(F)c(C#N)c(F)c3)CC2)cc1 1617380684 HYVQZXKMTBKHPU-VOTSOKGWSA-N 440.450 2.366 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)c1 1617765335 UGNLCQRAXFGCEL-KRWDZBQOSA-N 432.929 2.211 30 10 IEEE COC[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](F)(C#N)C1)OC 1619595174 DFXBPSBXEVOOAU-IIBYNOLFSA-N 425.468 2.439 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc(I)ccc3N)C2)nc1 1625335519 GXFFCANQSNYNKC-ZDUSSCGKSA-N 434.237 2.434 30 10 IEEE C[C@H](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)NS(=O)(=O)c1cccnc1Cl 1625436375 JNZZKEYXGZZYMP-VLIAUNLRSA-N 432.933 2.359 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)n1 1625832326 OAWVFOSQWDGXEA-UHFFFAOYSA-N 428.449 2.022 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1C 1626218520 JJEIBRUTJJNYBZ-OAHLLOKOSA-N 431.942 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)F 1632532505 CEBTZRCVSOPVRP-UPJWGTAASA-N 432.468 2.410 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1 1635452467 PFLNBKQOIHRVEF-UHFFFAOYSA-N 428.470 2.228 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1635972054 ULYMJSZRELMTTR-MAUKXSAKSA-N 435.546 2.265 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)c(=O)nc1O 1635989761 PPUHKFOBPXWBGY-UHFFFAOYSA-N 443.463 2.345 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 1638129338 JCPWAINETBVFGV-UHFFFAOYSA-N 425.551 2.480 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1 1639880193 GVHGMKQRSWWXAK-HNNXBMFYSA-N 445.463 2.437 30 10 IEEE C#CCOCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1640913574 KGYLZNBPHIHSJN-UHFFFAOYSA-N 447.469 2.126 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1644244826 GTOMBLOHXVBCNC-GUDVDZBRSA-N 447.557 2.377 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 1644369647 NEZORFCKVJTYOQ-OAQYLSRUSA-N 432.929 2.375 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1649012348 ZMPQSFFDVGOCEH-LJQANCHMSA-N 426.473 2.308 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCCNC(=O)CCCc3ccccc3)CC2)c1C#N 1673812162 MGMXZTUDQLKQSP-UHFFFAOYSA-N 440.573 2.294 30 10 IEEE N#Cc1ncn(CCNC(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)n1 1682196744 HEEOGGMKTTYDIB-UHFFFAOYSA-N 445.527 2.256 30 10 IEEE C[C@H]1CN([C@H](C)CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C[C@@H](C)O1 1682312830 WBNGBDCDIVQITJ-QRVBRYPASA-N 436.560 2.436 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1684225720 HYLVQAMXHGINCN-ZEQRLZLVSA-N 433.556 2.457 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](COC)C1 1689878195 ABWMVLBKNNFRSE-SFHVURJKSA-N 445.589 2.472 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1689944050 JSYKRFLYAJOOMA-NRFANRHFSA-N 438.576 2.167 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689988981 ZTHRBMBVUWDDTG-QAPCUYQASA-N 432.521 2.389 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1689998798 WVJRMJIPNPZTAV-UYAOXDASSA-N 444.557 2.203 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690227694 FFZHTGIVZPVNGI-RKVPGOIHSA-N 427.343 2.465 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690646526 URKNYVYTQDDERW-LJQANCHMSA-N 430.578 2.281 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690659454 TWFQAARRGYRTIF-MRXNPFEDSA-N 425.512 2.431 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690674941 LBTKJUVBXCLZDW-SFHVURJKSA-N 440.548 2.033 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2C[C@H]1CO2 1690726877 OVSPORBZLFWOBD-PMACEKPBSA-N 430.574 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1690729578 RIWHZRVSBNEACZ-ROUUACIJSA-N 434.562 2.380 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1690746948 OZDPGCMXBVSUNH-GOSISDBHSA-N 449.602 2.050 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1(C)C 1691315815 VBBPCYAKHXBKQY-FGTMMUONSA-N 444.580 2.359 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691545668 FNVHSRNCUOWOPW-KNQAVFIVSA-N 439.520 2.437 30 10 IEEE Cn1ccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)n1 1696862200 HJFVKFQOOWFTSL-UHFFFAOYSA-N 432.532 2.275 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCCC1 1705489743 VKNZRVBYRSLJFP-ZWKOTPCHSA-N 443.621 2.428 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN(C(C)=O)C1 1705575389 JDPKHCHDCLGPAF-INIZCTEOSA-N 443.349 2.367 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)CCC)CC1 1705642735 GBXNQTOBGYKLAV-HSZRJFAPSA-N 427.549 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(C)cc2)CC1 1705648119 OCPSBZRMJSHXRD-FQEVSTJZSA-N 437.544 2.135 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705810729 GLHNFNMKLYGCHS-UHFFFAOYSA-N 426.521 2.051 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1705886072 QCGKJSUUTWQSLH-KZNAEPCWSA-N 440.610 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCOCC1 1705895438 HDWPSCJLBBDZBD-UHFFFAOYSA-N 438.301 2.376 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705896723 WEAAVEUDVAVYIY-HUUCEWRRSA-N 445.545 2.251 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1)C1CC1 1705927531 ABIZDMHSEWZNDN-UHFFFAOYSA-N 443.573 2.284 30 10 IEEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1706055613 SKCICHFIAWWFRJ-UHFFFAOYSA-N 435.532 2.108 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1706074984 HSHOHHFCRCSERV-YJBOKZPZSA-N 444.561 2.008 30 10 IEEE Cc1nnc(CCn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)s1 1707848376 DSQSSKKWBIIWMS-UHFFFAOYSA-N 437.577 2.473 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C2CC2)CC1 1722403668 ZTXYYDFSMJXFOA-UNMCSNQZSA-N 425.577 2.339 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCCCC2)CC1 1722440485 AFRDPKMQJGOVPK-UHFFFAOYSA-N 427.524 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(OC)nc2)CC1 1722445038 JNCZSBZPBHQODF-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)C(C)(C)C 1722475927 JHVUIWQGJVWCKO-OAQYLSRUSA-N 432.594 2.345 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1722536116 RXQORCMJVMWXLZ-UHFFFAOYSA-N 431.541 2.011 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccnc1-n1cccn1 1723600206 DKIXEZAMUJTHDU-JOCHJYFZSA-N 433.520 2.175 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC(C)(C)C2)CCOC1 1723663763 LUTQTAVCKVWMOV-AVRDEDQJSA-N 434.585 2.168 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1740554016 VSYPGIPPRJSTRL-SJLPKXTDSA-N 443.573 2.403 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CC2)c1 1740564109 AXZJXQMYXRBDDW-QGZVFWFLSA-N 441.557 2.037 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)C1 1740982356 VDYDHQZXFWCEGB-UGKGYDQZSA-N 431.968 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCO[C@H](c2ccccc2)C1 1740992309 OTPIJKOLXFASNI-UXHICEINSA-N 446.573 2.351 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1748759687 MPOSZWLXYKNFQA-HTAPYJJXSA-N 443.573 2.457 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749048085 IHAKDULRHAIMDJ-KNQAVFIVSA-N 449.621 2.038 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1)c1ccccc1 1749383536 ZORWLHHZIBYHGC-QRQLOZEOSA-N 433.578 2.473 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749402012 HUTVARQOBQGUBK-VQTJNVASSA-N 430.597 2.271 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1749465114 NDHQIHXCMJCNBV-DLBZAZTESA-N 436.582 2.331 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](COC)C1 1749650536 AUFAQIPIHGIKQA-MOPGFXCFSA-N 443.548 2.189 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@@H](CC)C1 1749679743 AGCQNQDXOOJIGT-SFHVURJKSA-N 431.562 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1749722015 YSMHCOQFOITPFW-HNNXBMFYSA-N 437.541 2.354 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749726677 ADNCSZGPPOJOOW-UZLBHIALSA-N 441.557 2.301 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749754277 JCXLCGGHUJTCIZ-MRXNPFEDSA-N 446.602 2.172 30 10 IEEE COCCN(C)CCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1749767806 BKGIUGUBFZPSNW-UHFFFAOYSA-N 440.596 2.137 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1nc(C)cc1C 1750140250 ZMXWTMMADIDTJQ-WFXMLNOXSA-N 431.516 2.348 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)c1 1751407280 NWHGUWUWFVTELL-LJQANCHMSA-N 431.562 2.318 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1CC 1760110205 BMFHCDRIIMZWRU-INIZCTEOSA-N 445.531 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760204762 BHFMGOHDBOSVNB-ROUUACIJSA-N 426.590 2.206 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@H]1CCOC1 1760217944 RZLSJPWDSDOPQR-SFHVURJKSA-N 446.511 2.252 30 10 IEEE C#CCSCCn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@@]1(OC(C)C)CCOC1 1760286358 JGKAJEPDTGYJPO-JVXMTQNBSA-N 434.606 2.282 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760316563 UILCINRMMNDBAP-QCFAMHMHSA-N 444.580 2.160 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760511371 ZXPVKTOBMHIRKA-CTNGQTDRSA-N 437.592 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1760553686 GIVLRLNOFMBSKM-RHSMWYFYSA-N 435.525 2.167 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760694306 QAUXCCNEVFRSHC-IRXDYDNUSA-N 443.552 2.023 30 10 IEEE CC[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)OC 1764209603 CGAAJJPOSXOKJM-DLBZAZTESA-N 432.912 2.015 30 10 IEEE Cc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1ccc(Cl)c(C(F)(F)F)c1 1850691701 SSEDRGVERGYJHO-UHFFFAOYSA-N 441.841 2.313 30 10 IEEE CCCc1noc(-c2ccn3c(CN4CCN(c5ncccc5C#N)CC4)nnc3c2)n1 1851071031 SDUYFKREHKZAHT-UHFFFAOYSA-N 429.488 2.321 30 10 IEEE N#Cc1cnc(C(=O)OC[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(Cl)c1 1851769146 YTDDLTJNVIFRBW-QGZVFWFLSA-N 433.917 2.105 30 10 IEEE C#Cc1cc(C(F)(F)F)cnc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1851929553 LWTBBQNDZAULAP-UHFFFAOYSA-N 439.415 2.355 30 10 IEEE C[C@@H]1CC(=NC(=O)C2CN(C(=O)COc3ccccc3F)C2)NN1c1ccc(Cl)cn1 1853084086 BDBXDJJNZAOXCV-CYBMUJFWSA-N 445.882 2.440 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N=C1NN(c2ccc(Cl)cn2)C[C@H]1C 1853114853 WUCHPIBYWPFEHA-NEPJUHHUSA-N 439.900 2.127 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2c(F)cccc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854646196 WCRUHAVZUYQNAR-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2ccccc2)c1=O 1861291835 PZYVKSYPJSSEFC-JOCHJYFZSA-N 431.492 2.246 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862180662 SCAFPYNVXXYPHU-IEBWSBKVSA-N 441.528 2.312 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c(O)c1 1862740473 DNKNJMRTDIREBJ-SFHVURJKSA-N 427.413 2.146 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCc2cnc[nH]2)=C(N)Oc2c1c(C)nn2C 1864318083 PHYCOQNJKKPGMG-LJQANCHMSA-N 434.500 2.070 30 10 IEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(O)c(O)c1 1874261743 PYTLKFXPVNQNGB-QPJQQBGISA-N 435.412 2.006 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2cn(C)c3ccccc23)CC1=O 1874341941 WKTDBCRRAWCEMI-XHADFYDMSA-N 426.546 2.461 30 10 IEEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCC(N)=O)cc(OC)c1OC 1874417819 ULNIGLQPHFTFNG-FSJBWODESA-N 441.513 2.354 30 10 IEEE O=C(CSc1nncn1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nccs1 1874537654 OTNLYXDDTVSPRF-FBCYGCLPSA-N 447.458 2.027 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 1889598322 QKKVKRBUJOXYKX-UHFFFAOYSA-N 440.009 2.151 30 10 IEEE CC(C)(C#CC(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 2023914638 OOUQMFURCBXVLZ-XMMPIXPASA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124538119 GJWUPBLOLLLLQI-ZWKOTPCHSA-N 446.353 2.284 30 10 IEEE N#CC1(CS(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)CCOCC1 2174785879 DCDHONXUKJLMDZ-UHFFFAOYSA-N 433.530 2.027 30 10 IEEE C=CCN(CC(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2250778610 NGNAKHANGHICME-UHFFFAOYSA-N 449.495 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255808198 GETCWPZWZFHVMW-UHFFFAOYSA-N 449.382 2.381 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255820869 WHTVIKDSAJJPBG-IUODEOHRSA-N 435.305 2.163 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825594 CBTVTYPQNMWCHT-KBPBESRZSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2255826860 SMVYYPQQLKJTQS-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@H]2C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256725626 YNISTPLTDSKEDA-PXIJXODZSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C[C@@H]2C1 2265979742 HECSAUFVAXEGGH-QZTJIDSGSA-N 445.369 2.453 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999090 VRSPAAGMNFNVBK-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267142350 SMDPMAYJMGAFER-KBPBESRZSA-N 446.357 2.084 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267165290 CTEIQVVCBJBUKH-INIZCTEOSA-N 446.357 2.247 30 10 IEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(Cc2ccccc2)C1 2267176510 ARNJELXLAPMUMT-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267179760 UTVVGQDCCVRVOU-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]12CCN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267191352 BJWYDFYXMSVOPN-JOCHJYFZSA-N 444.341 2.001 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267515263 LXFIPNPUFQSMPA-DSJMHWKBSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267877040 QTYFAGZMVPQZEL-JOCHJYFZSA-N 446.357 2.199 30 10 IEEE C=CC[C@](C)(NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2270533907 BKQGTTLYTSKNKQ-BBRMVZONSA-N 438.424 2.183 30 10 IEEE Cc1cc(CNC(=O)CN(CCO)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273756144 RJJXEFPBLZHESZ-UHFFFAOYSA-N 448.369 2.140 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)C#Cc1cccc(Br)c1)C1CS(=O)(=O)C1 2278743955 MBWGAVOWGBEXAS-INIZCTEOSA-N 442.331 2.308 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2296228085 VTKIQICMVBFETH-YLJYHZDGSA-N 439.350 2.387 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc(Br)cn4)C[C@@H]3C2)cc1 2297739399 ROFIPDFCZNBUDE-GASCZTMLSA-N 433.331 2.473 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334261544 WBBQPGYQKVAPQF-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337198289 IDCLRCLCXOVMQI-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)n1C 2337398370 PBXZYHQWKFRGDM-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE COC(=O)C[C@@H]1CSC(=NCc2c(Br)c(Br)nn2C)N1 2364424844 TUBZMAMFVHBDSF-ZCFIWIBFSA-N 426.134 2.069 30 10 IEEE C=CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OC)c(OC)cc21 13792070 AKZJECGKWBMAKN-YSGBTYPNSA-N 439.559 2.005 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 427979284 HGZKIWWFYGIHSP-FDDCHVKYSA-N 440.569 2.396 30 10 IEEE Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(C)c1S(=O)(=O)NC1CC1 443333584 OSWSWELVJSJXLD-UHFFFAOYSA-N 432.546 2.129 30 10 IEEE CCOC(=O)c1nnc(SCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)s1 447329251 IPBJHOCFRQOFAE-OAHLLOKOSA-N 431.543 2.216 30 10 IEEE COc1cc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)ccc1C#N 460591239 MWGYNGZDTCBMFA-SFHVURJKSA-N 433.555 2.283 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cn1 462093994 WEKBHZRFZJZNIN-IBGZPJMESA-N 429.484 2.494 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 478752458 DUYYJITZMZYVRW-SFHVURJKSA-N 438.549 2.220 30 10 IEEE COc1cc2c(cc1OC)CCN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 487513858 LLADNJIIRKZHDL-OAQYLSRUSA-N 448.523 2.487 30 10 IEEE C=CCn1c(N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)nnc1C(F)(F)Oc1ccccc1 508997282 JDZHAZNMBGSXBJ-CQSZACIVSA-N 445.430 2.422 30 10 IEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1OC 515732586 FYRZOUALXPBWJB-UHFFFAOYSA-N 449.916 2.376 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 533149020 WRNAAGLCWRLQAP-MRXNPFEDSA-N 431.480 2.455 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)c2sccc2C)n(C)c1=O 541801967 QQQQLVLJEPVMOG-UHFFFAOYSA-N 425.491 2.419 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)C)CC1 549858056 YUHKQTHJZCESEV-UHFFFAOYSA-N 426.565 2.246 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)n1 553164560 VPLUDVWVKKIWHT-WBAXXEDZSA-N 426.908 2.393 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 603956617 YQBHWNACYMVWNQ-UHFFFAOYSA-N 433.555 2.253 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccn2)c1=O 654865173 PRZSTTWXBAYVMJ-UHFFFAOYSA-N 449.532 2.126 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCCO2)c1=O 679755468 SYKHRHZPYOLXDT-HNNXBMFYSA-N 444.578 2.421 30 10 IEEE COC[C@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138831 NSHBXVGBPDFCTJ-DYVFJYSZSA-N 442.532 2.247 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C 731731589 JPQWXJHYYSUCOX-CYBMUJFWSA-N 427.548 2.280 30 10 IEEE COCC[S@](=O)Cc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 735181127 YCGNZFNBMRESDB-PMERELPUSA-N 427.530 2.202 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1c(-c2scnc2C)nc2ccccc21 745646413 LHPCFYBWHBAROW-ZDUSSCGKSA-N 427.486 2.412 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1nc2ccccc2n1CCCn1ccnc1 746214827 BWCDGCONJKWYAH-MRCUWXFGSA-N 433.472 2.178 30 10 IEEE COc1ccc(OC)c(-n2nnnc2SCCS(=O)(=O)c2cccc(C#N)c2)c1 753914502 PYOPLJQMARVJBU-UHFFFAOYSA-N 431.499 2.117 30 10 IEEE N#C[C@H]1CN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757321909 MIMHKJKAMXLTDK-YCRPNKLZSA-N 449.463 2.119 30 10 IEEE CS(=O)(=O)CCn1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1=O 760770505 YLNWWYKYGLTOES-UHFFFAOYSA-N 438.465 2.204 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765145457 QVRHWDLPAPXYQG-UHFFFAOYSA-N 447.520 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc21 777141433 JYUCKJWDVBCIPY-ZZEZOPTASA-N 426.473 2.240 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Br)cc2OC)c1 777824623 DJVADOAZJSTYKQ-UHFFFAOYSA-N 437.315 2.299 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 787057463 FIFCKQCJNQBOEC-ICSRJNTNSA-N 434.452 2.472 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1 799770155 PBILXCNFDVQASC-IBGZPJMESA-N 437.521 2.163 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NCCOc3ccc4c(c3)OCO4)CC2)c1 803923026 SADPCJXQSZPXMB-UHFFFAOYSA-N 426.400 2.196 30 10 IEEE O=C(CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 856547159 VQNMYUVLUBMDNW-VQTJNVASSA-N 444.457 2.024 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2C1=O 918812611 QPZNLEHOMDFICH-DNVCBOLYSA-N 428.485 2.337 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)c1 1083985338 QDPYAKSOVRHVLD-UHFFFAOYSA-N 441.521 2.372 30 10 IEEE COCCN(C(=O)c1cc(C)c(C#N)c(C)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1124671001 MJVXZPBWPRLJGP-UHFFFAOYSA-N 447.495 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1126394112 DJMQYQFPTLHXKZ-IEBWSBKVSA-N 444.532 2.370 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCC(O)(C(F)(F)F)CC2)s1 1137430402 ONHWSNKWBOFYRN-UHFFFAOYSA-N 426.482 2.107 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)c2cccc(Br)c2)CC1 1171116570 AXXLVOZTHFHBCR-RBUKOAKNSA-N 437.382 2.107 30 10 IEEE C=CCOc1ccccc1CNC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1227881464 YJUUOCMKTBLWTG-UHFFFAOYSA-N 432.546 2.177 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286387364 QFWDTKLPBPFIAK-IAGOWNOFSA-N 446.598 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)cc1C 1286397052 KBUPJEWCQORKQH-UHFFFAOYSA-N 427.512 2.421 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N(C)CC 1286404500 RJEQVFXYOLRTBB-UHFFFAOYSA-N 432.297 2.398 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1286483900 COFDSANEKHPVRT-XXBNENTESA-N 441.601 2.174 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ncc(Cl)n1C 1286514533 JVHUDUZXPDCPQT-YOEHRIQHSA-N 438.985 2.392 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1286559968 BITTWJWNGCJVQR-LZQZEXGQSA-N 429.496 2.017 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)CC1 1286565539 PMAJDFKDNBZIDY-QUCCMNQESA-N 426.521 2.134 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCS(C)(=O)=O)CC1 1286651272 YYVYAZKQNNNTJU-QZTJIDSGSA-N 440.610 2.414 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)C(=O)C1 1286709180 YQNMIJVRMMVCAQ-UHFFFAOYSA-N 426.477 2.257 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1286758054 BPHZWPHUNKZLJM-MRXNPFEDSA-N 446.529 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1286824567 FHMZEZGHKRKGHZ-WNRNVDISSA-N 438.594 2.165 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1286836630 PLCIBMWDKJFIQW-KNQAVFIVSA-N 446.621 2.414 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1287033420 PAGMGBFLNIYJJB-MRCUWXFGSA-N 441.580 2.068 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1287069082 QFFVGHSHMWUBTO-UHFFFAOYSA-N 438.536 2.273 30 10 IEEE C/C(=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)CN1CCOCC1 1291723410 WDBYHEKOFJXTQV-VDTOUARZSA-N 448.589 2.497 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@H]43)c(C#N)c2N)cc1 1294271536 IWIVNWDLLSXKQW-NLWGTHIKSA-N 434.544 2.378 30 10 IEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 1298037528 IEUVYTOTRFROJC-QRWLVFNGSA-N 431.541 2.207 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1300267555 HERGWUSFOWIOCF-HXUWFJFHSA-N 442.608 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300313986 AYELYVALMPGEPV-INIZCTEOSA-N 426.521 2.016 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300496044 NFHQHBLFCNGSTF-IAGOWNOFSA-N 438.619 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(CC)s2)CC1 1300719530 FBRSJDGFSSWFFS-UHFFFAOYSA-N 437.573 2.317 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300952284 PXOIWJAWYCIBSL-KSFYIVLOSA-N 446.552 2.022 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1300983036 CLFJFZVHQFBRHK-IBGZPJMESA-N 437.552 2.453 30 10 IEEE C#C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CCOCC1 1301132527 KJPBGCUBGSOAKB-UPVQGACJSA-N 445.519 2.045 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)C[C@H](C)O1 1301371902 CZVICLQEAPSBGD-MGPUTAFESA-N 435.532 2.456 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(F)c2)CCOC1 1303505041 JGAOQCKIDQQRCO-DENIHFKCSA-N 429.496 2.429 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CCOCCS(C)(=O)=O 1303628617 DPMYTXFKXHXBPN-OAHLLOKOSA-N 431.518 2.491 30 10 IEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 1303880273 HNFJDHJHEZZSGO-UGKGYDQZSA-N 443.573 2.381 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1305712485 GWSZOHXBSNVKEU-CNNODRBYSA-N 434.560 2.361 30 10 IEEE CCCNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1313475167 AIZMPNRRZZFFGI-KRWDZBQOSA-N 438.305 2.394 30 10 IEEE COCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1316013466 HIQAFUWIFQGLRU-UHFFFAOYSA-N 436.495 2.499 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1316209150 JLWGAOCHWSYRSL-NSISKUIASA-N 446.527 2.173 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](C)N(C)C 1316213613 QYQRDWSYOSOXFP-WAOWUJCRSA-N 442.564 2.402 30 10 IEEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cnn1CCC#N 1350577385 IVXWMCFNRHMRKT-GASCZTMLSA-N 431.518 2.155 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCOC2)c1 1358902559 RQCUZWNPPIJXPB-QHCPKHFHSA-N 425.533 2.074 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358917810 BQZRPWBPGRVKQO-OFNKIYASSA-N 442.564 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358941978 DZVSQCJFBDHRAN-HOTGVXAUSA-N 447.630 2.482 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCCC1 1358976982 YZPKGMGPJPDVST-UHFFFAOYSA-N 443.555 2.139 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CCC 1358978332 JOYHOUAHGNYZRD-QFIPXVFZSA-N 446.603 2.399 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1358979689 UQTCLKLOBPXBPG-LJQANCHMSA-N 441.532 2.006 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)c1ccccc1 1358993994 BGHDPUWKNYEKQT-LJQANCHMSA-N 426.542 2.109 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCOC1 1359002707 JSEUTTBVUZDWQV-LJQANCHMSA-N 435.322 2.327 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1359014052 VNLYJMCJTDUZFI-UHFFFAOYSA-N 446.360 2.173 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)CC 1359017693 OODAVISQESTUMJ-UHFFFAOYSA-N 441.532 2.478 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccc(F)cc2F)CC1 1359023125 APGQITXBAGXQKI-GOSISDBHSA-N 429.471 2.325 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359057974 OMFUVVZZNJOADX-YLJYHZDGSA-N 441.557 2.262 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1359058140 UAOOKOQZUXVETI-FQEVSTJZSA-N 441.557 2.216 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCC(O)CC2)CC1 1359160399 TZWVOMAHSPKSOX-QHCPKHFHSA-N 433.597 2.322 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1359203659 STIXIZRVUKPXTE-KRWDZBQOSA-N 437.610 2.422 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1)C1CC1 1359252783 GLDJIAMZPGZLIL-UHFFFAOYSA-N 434.342 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1c(F)cccc1F)C1CC1 1359298003 JNQKOOFJFMPEDF-UHFFFAOYSA-N 427.459 2.428 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H]32)cc1 1359306964 WLWLJDZXNVGETN-WDYCEAGBSA-N 431.562 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCSC(C)(C)C1 1359326457 AHRQIYJHDPEBJT-UHFFFAOYSA-N 443.639 2.129 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)c(F)c1 1359471499 TWVSFBCJPPCIPE-MRXNPFEDSA-N 438.511 2.298 30 10 IEEE C=CCC[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C(=O)OCC 1449725110 GSNIQWPONNHXAO-HXOBKFHXSA-N 427.501 2.390 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1462289099 RTQSBBBYUJQILR-UAPYVXQJSA-N 437.525 2.272 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(OC)c(S(C)(=O)=O)c2)C1=O 1467660967 GHZRCPXVSPXWII-FQEVSTJZSA-N 439.534 2.415 30 10 IEEE C#CCN(C(=O)NC1CCN(CCN(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1467843756 PYMBXPXPLROTTM-UHFFFAOYSA-N 435.613 2.057 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3cc(C#N)cs3)CC2)cc1C 1473837155 LNBMJORHMRBPEJ-UHFFFAOYSA-N 446.598 2.202 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C(C)(C)C 1507668587 JIIIAQLBMXPUBR-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1507850092 BETOWTZFTPHZSH-LJQANCHMSA-N 431.562 2.361 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1508073067 VAVTXICKKILHQX-RTBURBONSA-N 442.539 2.441 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCOCC1 1508702760 ORTLGFGNUBNLAI-VAMGGRTRSA-N 446.596 2.038 30 10 IEEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1510049810 CLYAQJCQMFNSME-MSOLQXFVSA-N 441.555 2.460 30 10 IEEE CCCCc1ccc(N2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1525459223 HMBDNNFDGFFOPD-KRWDZBQOSA-N 436.516 2.452 30 10 IEEE Cc1noc(Cc2ccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)n1 1538990765 LDLDRQZYXNBENO-UHFFFAOYSA-N 425.470 2.413 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1C 1539350763 YFPIHVNMMLKBJH-MJGOQNOKSA-N 445.589 2.328 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccccc2)CC1 1539427684 HHJPIGMRZWCXDS-LJQANCHMSA-N 445.527 2.148 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539743203 YPDXKOFRPSBWEI-UHFFFAOYSA-N 435.532 2.234 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539820376 MWTRAULPQDZFRO-DJPFJPOOSA-N 439.988 2.228 30 10 IEEE C=CCC(C)(C)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1539928747 HAWRHAIMAVVCNJ-OXQOHEQNSA-N 426.583 2.156 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1540872570 SYRCXELOGCVQBN-IFXJQAMLSA-N 431.487 2.453 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)c1nc(O)c(C#N)cc1C)CC2 1543247226 BSOMXNRKNRRYJT-UHFFFAOYSA-N 438.484 2.079 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 1543784501 RAPPHJDBKNNCMO-UTKZUKDTSA-N 440.610 2.288 30 10 IEEE CCn1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1=O 1547625631 IAHYZRQULSIGQC-UHFFFAOYSA-N 446.559 2.300 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@H](C(N)=O)C2)cc1C(F)(F)F 1548368068 PLSQTUDTJNFMSF-INIZCTEOSA-N 446.385 2.122 30 10 IEEE COCCn1cc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@](F)(C#N)C2)cn1 1555568607 AACOFQXRYWWGCR-NRFANRHFSA-N 425.468 2.287 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)N4CCOCC4)CC3)n2CC(F)(F)F)c1 1555986272 HCYBOCAIMZVZIB-UHFFFAOYSA-N 448.449 2.454 30 10 IEEE C#C[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC 1569721175 BDXBUEBZCSNNSP-WFASDCNBSA-N 427.295 2.134 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1583229206 AVAZJDNHNNAUDZ-SFHVURJKSA-N 435.546 2.167 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(Br)n1 1588079426 WQWHZRGFNLHETQ-UHFFFAOYSA-N 443.349 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC[C@H](F)C1 1588124754 PYTHYZRTYULNAJ-IRXDYDNUSA-N 428.537 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCN(CCC)C2)CC1 1588913808 QXAMTZUDTZBATQ-LJQANCHMSA-N 435.576 2.038 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1594803445 UUBQAYXIKDDJNS-UHFFFAOYSA-N 427.475 2.346 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)S[C@@H](C)C1 1595561812 COTVLGSVBDQRQR-HOTGVXAUSA-N 425.562 2.149 30 10 IEEE C#CC[C@]1(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CCCN1C(=O)OC(C)(C)C 1596071138 BSVCQVHRROIIQG-GBXCKJPGSA-N 442.560 2.192 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1614318987 YEUXANICZFVNQR-INIZCTEOSA-N 434.504 2.381 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1620053117 GUKSVJYXJZRDAH-UHFFFAOYSA-N 435.532 2.425 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1635116060 JANSVQDKTABTOY-MRXNPFEDSA-N 444.532 2.441 30 10 IEEE C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[C@@H]1N1CCN(C)CC1 1636325416 GTOIAZKOOABMJO-BEFAXECRSA-N 435.366 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H](C#N)CCc2ccccc2)C1 1637802968 QWTFSXBYJAAEQM-MOPGFXCFSA-N 449.573 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](Nc3ncc(C#N)cc3Br)CC2=O)C1 1640499154 NVDJMFHOGUFDFF-GFCCVEGCSA-N 436.310 2.348 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CO)Cc2ccc(F)cc2)s1 1641760744 FSLGIRVGNGWMNM-IBGZPJMESA-N 426.535 2.004 30 10 IEEE C[C@H](O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1642320476 FDJSRXAWUULJND-HRAATJIYSA-N 427.526 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C1 1642605850 BONQSLVHGMVOIV-JTHBVZDNSA-N 444.507 2.441 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H]2COCCC2(OC)OC)cc1 1644360083 OSMDCJYBHWOHJH-FQEVSTJZSA-N 442.516 2.281 30 10 IEEE Cc1ccc(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1B1OC(C)(C)C(C)(C)O1 1644451054 HKNZXXIXBBMLIL-UHFFFAOYSA-N 448.325 2.011 30 10 IEEE O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649035913 QDWLEHVMYFUTPD-CYBMUJFWSA-N 443.406 2.222 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(NC2CCOCC2)C1 1651959806 TYKHWAMWBAAOLG-UHFFFAOYSA-N 438.322 2.078 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689992731 OIGSIFHERNYMNI-IBGZPJMESA-N 432.594 2.211 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N(C)C 1690088553 PNLTXBOSUOTHPC-UHFFFAOYSA-N 442.520 2.010 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(N)=O)nc1 1690091529 WTQOACMSSHKLAP-GOSISDBHSA-N 434.475 2.103 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 1690111432 BQHOCUFBNISECK-FDDCHVKYSA-N 443.523 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(NC(=O)C3CCC3)c2)CC1 1690137778 IQBCMQYFGRFSTO-UHFFFAOYSA-N 434.544 2.339 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(CCOC)CCOC 1690226738 KQGSKTFMMOFONG-UHFFFAOYSA-N 442.314 2.014 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690419018 FBRUHZZCKCWBCL-MRXNPFEDSA-N 425.599 2.422 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1690672634 YLNHTGPRHCNFDL-GOSISDBHSA-N 439.564 2.489 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](COC)C1 1690674153 QRVTUAYZMJZPQR-GOSISDBHSA-N 437.548 2.072 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(Nc3cc(OCC)ncn3)CC2)nnc1C(C)(C)C 1690676683 APSKFFQRMRFWDL-UHFFFAOYSA-N 442.568 2.147 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1C(C)(C)C 1690677132 OEOYRHALELTCGF-UHFFFAOYSA-N 439.564 2.436 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)C1 1690712401 VDSSXAPBRMOEDT-ICSRJNTNSA-N 442.564 2.264 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1692854560 RUYSQEDQNZVGMT-BEFAXECRSA-N 434.953 2.407 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1698428863 LFBWOXWLUULQDF-HRAATJIYSA-N 431.562 2.458 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1705549767 HNHOZJVFAPMWSF-GOSISDBHSA-N 447.543 2.220 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@](C)=O)CC1 1705591864 KJGHOUPGAWVJPB-PMERELPUSA-N 426.542 2.336 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705612061 XVMBIASGAPDRKG-DLBZAZTESA-N 430.553 2.336 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ncn(-c3ccccc3)n2)CC1 1705643975 DUVIGXLZQRQWSK-UHFFFAOYSA-N 446.559 2.170 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCO[C@@H]2CCOC2)CC1 1705647437 DYZJJOCEUWGOEY-HXUWFJFHSA-N 429.565 2.097 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCOC[C@H]1CCOC1 1705678703 MIEMHZSLKSJNOJ-QTDGGUCWSA-N 432.565 2.437 30 10 IEEE C=CCSCCn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705940593 JUKCSPCYJBWMGY-HZPDHXFCSA-N 439.582 2.256 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1C 1710204741 FYJUOIXQRGYAFU-VQTJNVASSA-N 437.592 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1722294084 UUJYEIAQSAYTER-WFASDCNBSA-N 449.296 2.340 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1722310222 JCZVMIVSXSBLSP-KRWDZBQOSA-N 441.532 2.489 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1722316062 APEHUAQFARHPQC-AQNXPRMDSA-N 449.621 2.431 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1722411906 SFLFMJNTUQCAFL-INIZCTEOSA-N 439.541 2.245 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2CC(F)(F)C2)n1 1722429011 FOJRRAPCMJRYNK-KRWDZBQOSA-N 434.491 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN(C)CC(F)(F)F)CC1 1722445170 SWHDGNHNPKMTRJ-UHFFFAOYSA-N 428.503 2.252 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1722460514 XVBTYLBAOVOHRH-JKSUJKDBSA-N 428.649 2.269 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cnnn2)CC1 1722561622 YAIFALCZTJSPQX-UHFFFAOYSA-N 432.330 2.279 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722623482 GJYVJIBEQVNWCS-UHFFFAOYSA-N 449.577 2.018 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1722660819 HSWSQMULXLSFIA-UHFFFAOYSA-N 435.517 2.356 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1722665204 LHDCDYICRJUIHM-QHAWAJNXSA-N 442.608 2.292 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C)C1 1722707210 JHQHLQBUZSTOSD-AEFFLSMTSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722748763 AGVACSZMGVJWJW-WBVHZDCISA-N 430.530 2.499 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1722765895 SWLKCPSEDREZHT-SJORKVTESA-N 444.486 2.134 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722865927 LSPYKPUQPWCVSA-KZNAEPCWSA-N 445.593 2.084 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722871022 TZIPJGOBXHKVTR-MSOLQXFVSA-N 435.532 2.049 30 10 IEEE CCCNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728194051 GKVCBQWEGGDBTO-UHFFFAOYSA-N 425.537 2.318 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](COC)C2)CC1 1728601630 HJKYOBFNLZSUKL-CTNGQTDRSA-N 437.592 2.315 30 10 IEEE COCCCN(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1730692040 XYABEAYRPYOYTE-UGKGYDQZSA-N 444.511 2.201 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1740545470 QPKKIJQJCOEQMK-INIZCTEOSA-N 428.562 2.223 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCCCC1 1740637517 DHOSLNCUSVBJHX-IBGZPJMESA-N 432.590 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1740653446 MTUYLWIMOHMHOF-NRFANRHFSA-N 431.544 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1C 1740656448 JZVSCKGULJRSKY-HXUWFJFHSA-N 440.569 2.421 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1740691084 UFFBPLGIXJFVEW-SFHVURJKSA-N 444.555 2.011 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1740884747 LHJUWHJZYKQJPF-UHFFFAOYSA-N 427.553 2.253 30 10 IEEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1740904794 XYGBJYWFZZZIDQ-VXPUYCOJSA-N 426.452 2.145 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)CCC)CC1 1740961627 VSXCFKNRBNEQAY-UHFFFAOYSA-N 438.576 2.365 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1 1740969445 OZDCIWJFAYHPIF-FQEVSTJZSA-N 425.533 2.454 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1740977338 UHTUEZAMENOYHM-CMKODMSKSA-N 443.596 2.348 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)c1 1748576141 ASEIVCBBMGXERV-IBGZPJMESA-N 440.548 2.301 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)COCC2 1748948082 HCZQEEYCRPZCEF-UHFFFAOYSA-N 446.511 2.132 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2CCS(=O)(=O)CC2)CC1 1748984261 OOVANPANLSITND-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1748987345 UQBFCLZCWWOMGC-HXUWFJFHSA-N 437.523 2.431 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)COC)CC1 1749003462 KRGXNVBABYYJFW-INIZCTEOSA-N 440.504 2.102 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccccc2F)CC1 1749019429 SWYFXBSGJPMRDM-HXUWFJFHSA-N 425.508 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1749120078 ABGIXHMLBGGVPB-NQAVQENRSA-N 444.624 2.385 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1749140384 OOASKEJCZQWZPL-AQNXPRMDSA-N 447.580 2.090 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1749730500 GNXTZNSMPBZJEH-MSOLQXFVSA-N 448.593 2.063 30 10 IEEE COCCCOc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1749742196 DXBWEZFGSGWSMC-WOJBJXKFSA-N 427.505 2.322 30 10 IEEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750046448 YRFAGTWCFBKOEY-UHFFFAOYSA-N 425.512 2.094 30 10 IEEE N#CCCN(CC1CC1)c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCOCC1 1750390452 OJHXHWGIDOAQTJ-UHFFFAOYSA-N 428.562 2.343 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760156580 LRYYNHWIDPCCAM-IBGZPJMESA-N 440.617 2.477 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760186535 ONFLBCARNHVKRY-IBGZPJMESA-N 434.537 2.060 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1760467753 UBGRLMSBJHLKGJ-UHFFFAOYSA-N 426.521 2.024 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760507650 WNJFAKZLSMMWRJ-INIZCTEOSA-N 429.546 2.030 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760533847 NILCRAKJUZYAQK-SFHVURJKSA-N 434.562 2.441 30 10 IEEE CC(C)OCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1761323159 NCGYQVGCQBOHMS-IXDOHACOSA-N 434.541 2.203 30 10 IEEE CCc1ccc([C@H]2CN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CCO2)cc1 1762616067 VYOQXGDJDGFIMC-SQYHMDOVSA-N 436.516 2.253 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1Cc1cn(C2COC2)nn1 1764527489 AVAWWKSFNISIGA-MRXNPFEDSA-N 436.520 2.226 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1765306676 COFFXKDNXCKWQF-IEBWSBKVSA-N 438.532 2.259 30 10 IEEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1765347725 HSWFRAVNYSOICI-VOFKWLDRSA-N 444.561 2.085 30 10 IEEE CCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 1765413368 QKFVVEPUIYIQIN-HKUYNNGSSA-N 437.548 2.435 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1CC 1766089644 HLOKNUMNDGNTAL-OALUTQOASA-N 440.548 2.469 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766870823 QBSRKFOUXUHGHJ-UHFFFAOYSA-N 437.891 2.222 30 10 IEEE N#Cc1ccc(OC[C@@H](CS(=O)(=O)c2ccccc2)OCCN2CCCC2=O)cc1 1852834744 OQCHILJOBIFOFN-FQEVSTJZSA-N 428.510 2.419 30 10 IEEE Cc1ccc(S(=O)(=O)CC(=O)N2CCCC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1857256693 IULHCZZKEFIKRJ-FQEVSTJZSA-N 431.558 2.302 30 10 IEEE COc1ccc(OC)c(-c2nn(-c3cccc(C(=O)O)c3)cc2/C=N\NC(N)=S)c1 1857807112 UDSIRMPQXHBGKU-YVNNLAQVSA-N 425.470 2.422 30 10 IEEE CCN(CCc1ccncc1)C(=O)[C@H](CCSC)N=C1NS(=O)(=O)c2ccccc21 1869929703 KIMBYINJEVHPDR-SFHVURJKSA-N 446.598 2.333 30 10 IEEE N#Cc1ccc(COc2cn(CCO)c(CN3CCN(c4ccccn4)CC3)cc2=O)cc1 1870350538 KMWQTWGZNNDOBN-UHFFFAOYSA-N 445.523 2.008 30 10 IEEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(c3ncccn3)CC1)n2Cc1ccco1 1875231792 DDEHCGWMKXTLQB-UHFFFAOYSA-N 444.499 2.423 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(Oc1cc(Br)ccc1C#N)C(=O)O 1919733524 YADISUVMNQEMMS-DYVFJYSZSA-N 427.251 2.446 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 2013641038 QZLODVIGLWWLHB-OAHLLOKOSA-N 440.541 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2052710991 GRGGXSVGRJFNKT-NVXWUHKLSA-N 436.358 2.286 30 10 IEEE COc1ccc(C=CC(=O)C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1OC 2053649184 NEELBILQZMAYCY-HYBUGGRVSA-N 436.508 2.398 30 10 IEEE COc1ccc(C=CC(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1OC 2053649185 NEELBILQZMAYCY-RDPSFJRHSA-N 436.508 2.398 30 10 IEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(CNC(=O)OC(C)(C)C)n1 2060810635 BMKKNZNAPUCDPL-GOSISDBHSA-N 438.532 2.295 30 10 IEEE N#Cc1ncccc1S(=O)(=O)NCC1(F)CCN(C(=O)OCc2ccccc2)CC1 2174785244 WWOUXPNDQNLUNS-UHFFFAOYSA-N 432.477 2.372 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)C1 2255145718 JFIHZTNBMBQHPR-UHFFFAOYSA-N 441.572 2.436 30 10 IEEE Cc1nc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2255641596 TZBKJHNSTHKQCS-WDNDVIMCSA-N 449.382 2.346 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255828008 BEUCHDNFVIHDIP-GASCZTMLSA-N 431.342 2.475 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCN(C)C(=O)OC(C)(C)C 2255837973 YERGUIHSMREUPV-UHFFFAOYSA-N 436.362 2.141 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)[C@@H](O)C(C)(C)C 2258957511 AJOLXZYARYBOIY-HZPDHXFCSA-N 438.374 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2267091310 PZHNGIYMKJNILE-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267140799 FXOMZDLSZNCBFJ-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CC2 2267142650 XCFWFASIHYHZCR-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267222082 WFSQRWWQKJIQBB-IIAWOOMASA-N 446.357 2.227 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267272833 DPAKQOGJWVCTTD-SWLSCSKDSA-N 441.259 2.052 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CC1 2267505463 IXSYSXFXCKQXPD-HXUWFJFHSA-N 438.381 2.360 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1Cc1ccccc1 2267513384 OBLLXZBJEZXBOC-ROUUACIJSA-N 438.381 2.454 30 10 IEEE Cc1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267600963 OJXMLJMEFYHIQW-DLBZAZTESA-N 446.353 2.004 30 10 IEEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267877223 RVWHDNLCJGWANQ-CABCVRRESA-N 446.357 2.151 30 10 IEEE COC(=O)[C@H](CC(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2268628754 MGSLGFHAPPEZPC-INIZCTEOSA-N 448.325 2.381 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277726125 YUITWZUZIIQBHU-SECBINFHSA-N 425.287 2.287 30 10 IEEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282840979 LAHVVOGQDGXGJK-MWLCHTKSSA-N 441.833 2.091 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)C#Cc1ccc(Br)cc1 2313886039 FVCVBPNZTVJYOW-CQSZACIVSA-N 430.320 2.308 30 10 IEEE NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)cc1 2325610183 RXOIRZIMFGQVTL-UHFFFAOYSA-N 427.251 2.457 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 27559474 GJQWAMRTNPYPJM-HUUCEWRRSA-N 429.590 2.090 30 10 IEEE Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 41514111 AHHWDYARTVDFDA-MTJSOVHGSA-N 438.480 2.155 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccnc2)/C1=C(/O)c1ccc(F)cc1 103103720 ONFWRAKJUXXFLK-LCPUNJGISA-N 425.460 2.365 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)n(C)n2)c1 238895926 RALFSNIGKBYCLJ-INIZCTEOSA-N 448.483 2.450 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCc2ncncc2B2OC(C)(C)C(C)(C)O2)C1 382600441 OCIMBZFOCZTJQW-MRXNPFEDSA-N 432.374 2.260 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC1 438616351 DPZHSQULCQABML-NXSFLFKLSA-N 443.573 2.485 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 460292415 GFXGBHWSAFQWES-UHFFFAOYSA-N 443.525 2.163 30 10 IEEE N#Cc1ccnc(C(=O)N2CCN(C(=O)c3ccccc3I)CC2)c1 485411394 KENHTQHVKQUZRX-UHFFFAOYSA-N 446.248 2.156 30 10 IEEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 485578204 CMGSDFZJCHOQGR-QWHCGFSZSA-N 429.502 2.183 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C#N 489510219 LQPKZSBRZHLDKC-IBGZPJMESA-N 426.498 2.379 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 509723417 FREPQTDFLOKDJH-VQTJNVASSA-N 434.521 2.385 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 520334300 AJRUBLRMWFGAKU-MSOLQXFVSA-N 437.456 2.201 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 521809481 HIKBLGTYUCWNAI-UHFFFAOYSA-N 436.452 2.483 30 10 IEEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 549652378 HQNOWWIUAGRDBK-UHFFFAOYSA-N 444.967 2.272 30 10 IEEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 549671984 BDTXMDUFQDFEBP-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)cc1 561398630 ZYVLFVNUKKOAIJ-OALUTQOASA-N 431.562 2.447 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 603786853 RGHSYRCUZGIQPF-UHFFFAOYSA-N 425.460 2.205 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 611243650 ZGNBPBTWKPZKHO-KRWDZBQOSA-N 442.379 2.467 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C(C)C)c2)c1=O 732795550 MIMMJZQOAMVETF-UHFFFAOYSA-N 449.580 2.260 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 749788672 NPNDBIJGTPROGD-MOPGFXCFSA-N 432.590 2.419 30 10 IEEE CS(=O)(=O)c1ccc(N)c(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 750411453 IGDRNXYBDIYOHY-UHFFFAOYSA-N 435.889 2.429 30 10 IEEE CC(C)Cn1c(SCCS(=O)(=O)c2cccc(C#N)c2)nnc1N1CCOCC1 753911209 XNXXGTXQNKQEIH-UHFFFAOYSA-N 435.575 2.208 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCCc2c(C)noc2C)C1=O 754018150 QAEUZYROOVCFFT-JQBIEYAESA-N 429.546 2.298 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OCC(=C)C)c2)c1=O 758071835 OTZBWWOVWCDHEA-UHFFFAOYSA-N 448.544 2.379 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccn(C)n2)C1=O 765545885 TZZIDCFDVIISKI-QGZVFWFLSA-N 448.980 2.273 30 10 IEEE C=C(C)Cn1c(SCC(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)nnc1-c1ccco1 766121607 OWBQEIUOUHIWRH-MRXNPFEDSA-N 446.529 2.387 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)c(C)o1 767958494 JNSLTNOBPAPHAH-UHFFFAOYSA-N 444.516 2.106 30 10 IEEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 769456825 PPIGMPQCXIRWFK-UHFFFAOYSA-N 440.410 2.336 30 10 IEEE C#CCN(C(=O)NC[C@@H](C)Oc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 774235856 MQMUEXBNBVCGGG-ZIAGYGMSSA-N 429.336 2.048 30 10 IEEE COC(=O)c1cc(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)cc(C(=O)OC)c1 781394275 IESZYTNXMACDJS-UHFFFAOYSA-N 436.420 2.345 30 10 IEEE Cc1nn(-c2ccncc2)cc1C=NNc1ccccc1S(=O)(=O)N1CCOCC1 783849937 RTLHNVIBMZXWKE-UHFFFAOYSA-N 426.502 2.043 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCN1C(=O)OC(C)(C)C 790784080 KRVWBJSXWDDLLR-WZONZLPQSA-N 434.581 2.097 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccccc3C)c2=O)cn1 794584097 IRSHBGJAGILTOY-GOSISDBHSA-N 446.532 2.003 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CN2CC[C@H]3CN(C)C[C@H]32)c(C(=O)OCC)c1C 794955488 URPJKIUCTFDDFV-LSDHHAIUSA-N 435.546 2.150 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 809926135 IAYDFFPRJIGEEV-SFHVURJKSA-N 448.568 2.220 30 10 IEEE COc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 916711961 VIEZLPRKKMANKU-FCFMXISVSA-N 446.529 2.363 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 916775571 XIYWJRAWYBTPAP-QGZVFWFLSA-N 431.901 2.206 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)NCc3ccc(F)cc3)n2N)cn1 1084270965 QUSZGKWSWVRKED-UHFFFAOYSA-N 445.528 2.153 30 10 IEEE N#CC1(CC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)CCOCC1 1124798825 FGXGKLTXGDLNQW-LICLKQGHSA-N 443.481 2.278 30 10 IEEE CN(C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)c1cc(C#N)ccn1 1128083265 LMTNJPNSMOOGRW-UHFFFAOYSA-N 426.274 2.450 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 1130824746 URUFGRSZFJWSQS-UHFFFAOYSA-N 439.438 2.496 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@](C)(C#N)C3)CC2)cc1 1131513232 XIKMQBHPGRDJJW-OAQYLSRUSA-N 433.530 2.026 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3C[C@H]3C3CCOCC3)CC2)cc1 1132415606 BJEAMQPBAVATMS-FPOVZHCZSA-N 431.558 2.138 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)OC)c(O)c1 1138222626 DWAGUDOTCBBGLY-MRXNPFEDSA-N 445.497 2.415 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)C(=O)OC 1155780140 XWQXBSXEUVAYQT-SJLPKXTDSA-N 434.489 2.218 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2c2ncc(Br)cn2)CC1 1176357020 XDZZQWJQNFULSD-IRXDYDNUSA-N 435.370 2.068 30 10 IEEE Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 1187325016 GOAPNVPYTVCELC-CYBMUJFWSA-N 443.294 2.487 30 10 IEEE C#CCN(C(=O)NCC1(c2ccc(Br)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1248463549 VDWSOSDOJFHUSN-INIZCTEOSA-N 425.348 2.313 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)ccc1F 1265953036 JFKORXQTOCEAJG-MRXNPFEDSA-N 439.896 2.290 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286287464 OARQWFLCGIAUIP-LJQANCHMSA-N 430.560 2.383 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1286357150 FWWZRPHVHHMLQX-UHFFFAOYSA-N 435.532 2.199 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1286392373 LNLBCRROFDYOPX-XZXOBPBMSA-N 438.557 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1 1286419364 UKXYRQPTOYOIEJ-UHFFFAOYSA-N 444.495 2.454 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C(F)(F)F)cs1 1286461220 QAFOCWQCGLYAPU-UHFFFAOYSA-N 442.467 2.124 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@@H]1OC 1286519461 XNYYNVLUQYYRKF-VNHKHXMHSA-N 432.565 2.362 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1286573471 MAJDQSKJEUYJNO-OAQYLSRUSA-N 429.594 2.345 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286774774 HRIFMBMVPOGZBN-IOJLRTSASA-N 430.597 2.175 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286793298 CFSHDHLFLWUJQE-HXUWFJFHSA-N 440.548 2.157 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)cc1 1286794229 ACQWASZCZXKDHB-UHFFFAOYSA-N 433.578 2.450 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCC2)C1 1286797878 DCEWIZOTOUPPQB-QGZVFWFLSA-N 425.537 2.191 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)c2ccccc2)C1 1286799758 AAJOPFLMUVLFOD-IEBWSBKVSA-N 431.562 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286818140 UKFIFMVITKWMHR-UHFFFAOYSA-N 448.549 2.237 30 10 IEEE C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1289682645 CQMLNLROFYCUGR-CQSZACIVSA-N 429.502 2.100 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1291225545 SJRUDKLSMCOYML-AYAKEVCGSA-N 449.540 2.285 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1291782303 CPQPJWPYDTWITJ-YLJYHZDGSA-N 428.537 2.325 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1295793472 UZXKQZXICDFZEY-ZIAGYGMSSA-N 439.509 2.498 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C#N)o2)C1 1299370818 NTMXVBUWVQQUBA-AWEZNQCLSA-N 437.456 2.475 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc2c(c1)OCCO2 1300431558 IARBNVGVRRRPBM-HSZRJFAPSA-N 426.517 2.402 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1300635095 CJWYLYSDNOCYNV-UHFFFAOYSA-N 447.442 2.238 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CO2)C1 1300656565 JRYUOVXUXOZITJ-IAGOWNOFSA-N 444.507 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(C)(C)O)CC1 1300730612 CPCKDYIJJUMMJG-UHFFFAOYSA-N 439.560 2.292 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1300732908 FNQDUCCIXHNFJP-RDJZCZTQSA-N 426.546 2.296 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](NC(C)=O)C1 1300870442 SLVPCLIGUAZOAW-LMCOJAPRSA-N 435.569 2.088 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 1300876628 USVDGRMBPLFYAV-WCVJEAGWSA-N 447.552 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)C1 1301575807 KPJNGSLCGIVONG-GFCCVEGCSA-N 428.356 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(CCCOC2)C1 1301587457 ZYQQEFANLMMCKM-OAQYLSRUSA-N 431.562 2.256 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1305762881 AEYNKYQNAMEHOH-CQSZACIVSA-N 428.493 2.099 30 10 IEEE C#CCN(CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)C(=O)OC(C)(C)C 1306422004 JLEFOCQOVQAMRF-UHFFFAOYSA-N 425.482 2.174 30 10 IEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1316074262 CDCKIRWDDGDDOU-QHCPKHFHSA-N 437.548 2.437 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC1 1316101828 ODLASIAOXGDEKT-QGZVFWFLSA-N 434.541 2.363 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358959464 JIAAQMQCXKYSMG-LQBOVUBWSA-N 428.558 2.123 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1358967265 HBZPUXRDWBAEQI-LJQANCHMSA-N 446.573 2.137 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1359055513 GOCBNFXZYXQVBN-INIZCTEOSA-N 429.546 2.249 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1359321325 DYORYJLBXOEVKQ-WSTZPKSXSA-N 443.523 2.047 30 10 IEEE CC[C@H](Nc1cccnc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1441013562 TYQWXLUXCWWXIV-KRWDZBQOSA-N 447.948 2.330 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3cccc(OCC#N)c3)CS(=O)(=O)[C@H]2C1 1441543936 GTPVKQIIIACBPT-QGTPRVQTSA-N 449.529 2.198 30 10 IEEE C[C@H]1CN(CCNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1442912859 BHOAFKHXUIZCGN-OXJNMPFZSA-N 428.533 2.229 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1455706492 UOPVLHOYPTXYCP-DYVFJYSZSA-N 437.327 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)C2)C(=O)C1 1467268000 YHFICSAEOIPGNT-OVCNXMPXSA-N 430.549 2.387 30 10 IEEE C#CC1(O)CCN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1 1470364948 KHLVVCOZFALOJV-IAGOWNOFSA-N 440.569 2.322 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1470670905 AIHAPSUMXWZTAJ-LJQANCHMSA-N 436.516 2.340 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)n[nH]2)c1C 1471569369 UDVCVYPBCPTTAG-UHFFFAOYSA-N 439.564 2.022 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1 1473494761 CXKVYZLLUIAIMV-YADHBBJMSA-N 437.544 2.318 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1504753101 DGIMTEFZOCREOU-SFTDATJTSA-N 433.484 2.192 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507634838 QBWVNAHRQPXZPF-NZQKXSOJSA-N 444.601 2.211 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccc(C(F)F)n1 1507684616 FHWJHGDHQNHMCH-UHFFFAOYSA-N 436.430 2.156 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(C)C)N1CCCC1 1507710770 VCGOSPPSGLJCPU-IBGZPJMESA-N 442.564 2.212 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(C(=O)OC)CC2)CC1 1507908897 JVXNTTBMLVCYEA-UHFFFAOYSA-N 430.553 2.281 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507912990 MTXPEDGRJNKRID-MRXNPFEDSA-N 435.598 2.047 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507938488 DMFBPHAQKVSUSS-OAQYLSRUSA-N 437.592 2.363 30 10 IEEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1507958797 YWMJCHPNMSDOFQ-MRXNPFEDSA-N 438.525 2.385 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1508086979 ADYXMHLQLPBXMX-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@](F)(C#N)C1 1508144973 ZKCOJMBUIYRISP-FQEVSTJZSA-N 433.509 2.208 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1508412245 ABIXSVJODXQANI-KKSFZXQISA-N 448.593 2.198 30 10 IEEE CC(C)(C)N1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508619150 JMSMNGWZYFSGER-MRCUWXFGSA-N 441.580 2.068 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CCO1 1518938413 AFLUEODNZBKTPD-LJQANCHMSA-N 429.521 2.395 30 10 IEEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1536709634 UTHAPRLHEQCBEN-FQEVSTJZSA-N 449.866 2.110 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OC 1538983441 RZYWYNZHZJTQBD-OAHLLOKOSA-N 425.514 2.258 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CC=CCO2)c1 1539040071 LALLROZAUDBIMH-HXUWFJFHSA-N 431.500 2.080 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1539211267 KJPOEKFZNHDXHP-GOEBONIOSA-N 448.570 2.052 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1539212056 MVWKMBSCFZTFAG-GOSISDBHSA-N 425.514 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CC1)N(C)C 1539305243 USSHVEKPEJXWOI-OAQYLSRUSA-N 439.585 2.152 30 10 IEEE C=C(Br)Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@]1(OC(C)C)CCOC1 1539608857 FTVSRXIEIGXUQC-ACJLOTCBSA-N 444.374 2.046 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CC1 1539890310 MUPYBSIFTNPHAJ-LJQANCHMSA-N 449.621 2.375 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](COC)OC)C1 1540883787 FFAGSCSAGIRSJN-GJZGRUSLSA-N 440.342 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540900427 VKLHLPJIIMRFLV-GOSISDBHSA-N 445.589 2.349 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@@H]1CCOC1 1541363526 BJXWTVXXIIBBIA-LJQANCHMSA-N 425.537 2.190 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1542284432 JMLPETMDJLGPPQ-PKOBYXMFSA-N 438.532 2.117 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 1544540637 JUDVLWMLUJNZMC-HUUCEWRRSA-N 438.322 2.398 30 10 IEEE CCOCc1nnc(N2CCN(Cc3csc(C)n3)CC2)n1Cc1ccc(C#N)o1 1548180616 ROZUMTFNJCPTKZ-UHFFFAOYSA-N 427.534 2.415 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1548267117 PNDUQNJJGXNKKE-MRXNPFEDSA-N 436.438 2.358 30 10 IEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1555416177 GIAPQHVXZICWKN-KDURUIRLSA-N 427.505 2.353 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(F)F)C1 1555985388 OAHHHYHXQHBSHU-IBGZPJMESA-N 433.394 2.318 30 10 IEEE CCCOc1ccc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OCCC 1558806315 KZNKXGRGIFFYGJ-UHFFFAOYSA-N 426.473 2.024 30 10 IEEE C=C(Br)CNC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1583913936 CZMLDJAFICDCSS-UHFFFAOYSA-N 426.336 2.439 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 1584792057 CRQAWXKAZQIARM-UHFFFAOYSA-N 428.470 2.222 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1587638498 FRFVWYAMNSEFNE-ICSRJNTNSA-N 429.590 2.160 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COCc1ccccc1 1587640101 OQTZUZHAJKCDEB-WSTZPKSXSA-N 430.574 2.491 30 10 IEEE COC[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCCCN1C(=O)OC(C)(C)C 1587690492 CZODTEOTOIBLMW-HSZRJFAPSA-N 443.548 2.408 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1587894244 QWCQCTOXLHWDAM-URXFXBBRSA-N 445.608 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588174150 QUYLNVJSRKIEKH-NTKDMRAZSA-N 448.527 2.117 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1 1589481620 BDFLEWBIARSLEZ-LPHOPBHVSA-N 434.504 2.333 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1593818416 SCOVJQVWDYMVMT-QZTJIDSGSA-N 427.977 2.303 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1594733752 YCYGNBUCHLHWIP-HNNXBMFYSA-N 449.499 2.276 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1594752802 QJEJPTRHVJRPLO-UHFFFAOYSA-N 430.582 2.243 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCCCO 1597496406 ZDVVWBSLOPBPLH-GOSISDBHSA-N 448.568 2.489 30 10 IEEE C=CCn1cc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)nn1 1598181470 GUDMQVVJUQILNT-QFIPXVFZSA-N 427.505 2.455 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCc1cccc(F)c1 1608578858 HYOUMZXNJINHRH-HXUWFJFHSA-N 439.539 2.365 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1619817606 NUKFMYVUEHYQMX-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE N#Cc1ccc(CC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)cn1 1625244868 RULYCZJFJWLMFF-UHFFFAOYSA-N 438.484 2.430 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2ccccc2Br)c1 1626425812 TUOLDWHXTOULHE-QGZVFWFLSA-N 439.331 2.377 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2=O)cc1 1626695049 NPBPXBIMDVJHBC-SFHVURJKSA-N 430.424 2.183 30 10 IEEE C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 1628622450 JYYZIKMWLUCFAX-DNVCBOLYSA-N 442.541 2.461 30 10 IEEE C#C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H]1CCCO1 1633398426 WSXDOQCESNRZSJ-JKSUJKDBSA-N 425.526 2.045 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)s1 1634403977 QJQUTNGQXNGUDD-APPDUMDISA-N 428.967 2.333 30 10 IEEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)[C@@H]2C1 1636368823 LFQBRGFRRUQNLT-RUKKJMCKSA-N 431.533 2.477 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)cc1 1636451497 VHEFQXJPSKPHER-UHFFFAOYSA-N 427.530 2.156 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(Br)c1I 1641520957 JINRLZBFDNHCSC-SECBINFHSA-N 439.047 2.164 30 10 IEEE C[C@@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1642320477 FDJSRXAWUULJND-IERDGZPVSA-N 427.526 2.197 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](O)c3cccc(OC)c3)CC2)cc1 1643043597 PNAXTQBTJMCFCE-QFIPXVFZSA-N 442.537 2.193 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 1643681146 PSNJTPTXGQPEJX-GOTSBHOMSA-N 425.554 2.307 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCC(C#N)(c4ccccn4)CC3)OC2=O)C1 1645422540 ZBJSKFPRGDVWCX-KRWDZBQOSA-N 426.517 2.491 30 10 IEEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 1648004969 IFGGMXLHCSYDBF-UHFFFAOYSA-N 433.313 2.136 30 10 IEEE CN(CCc1ccc2c(c1)OCO2)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1648335847 AOBWPKAKUKFRON-OAQYLSRUSA-N 438.503 2.438 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)CC1 1648423955 KMWOQKLOSJGFSN-LJQANCHMSA-N 426.561 2.282 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OCC 1654789215 GZEBIVLRXVLARL-QUSNUVHPSA-N 438.521 2.188 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2Cc2ccc(C#N)cc2OC(F)F)C1 1655232583 NMDXLEABSYGYHI-UHFFFAOYSA-N 436.459 2.471 30 10 IEEE C=CCOc1ccc(CNS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1661911985 YXJFWTCZJUXLMH-GOSISDBHSA-N 426.535 2.307 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)C1CCOCC1 1665797869 IPYDLYDTTGBYOX-GOSISDBHSA-N 435.546 2.420 30 10 IEEE COCCN1C(=O)CCc2cc(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)ccc21 1671052558 CDIYNGIZPKCITM-UHFFFAOYSA-N 434.500 2.233 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)C1CCOCC1 1674597234 PKHHMOVPEHZJNS-IRXDYDNUSA-N 429.521 2.002 30 10 IEEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)N1CC[C@@]2(C1)CC(F)(F)C2(F)F 1676177756 BTXVYZMTTZIGBD-LBPRGKRZSA-N 432.296 2.087 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1689892266 BHOUSGAITBWUHP-PKOBYXMFSA-N 447.561 2.001 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1689912980 FGFOCBHTIGUHKS-LJQANCHMSA-N 444.605 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=C)Br)CC1 1690142592 RCILSYWREGLPMP-UHFFFAOYSA-N 429.322 2.215 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690669389 CSQFUDYRYRZVDT-GOSISDBHSA-N 426.521 2.205 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N(C)C)C1 1690685251 YXDHOEIMXFAYTO-IBGZPJMESA-N 440.548 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1690709407 GTIGVMWWGFGJKJ-SJORKVTESA-N 429.487 2.275 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1695031282 GQUCPAPMGMGBEF-IAGOWNOFSA-N 426.521 2.428 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1698129602 NHAIZBSAIWZDIB-JBYIUTFZSA-N 433.553 2.470 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1698308708 CLRACROUKMPCGD-UHFFFAOYSA-N 437.953 2.400 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc(C3CCC3)n2CC(=O)NCC(F)F)CC1 1698488437 HSUUTYUZNMGZJH-UHFFFAOYSA-N 429.475 2.125 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705533250 WLHHQLHCMJXUFT-INIZCTEOSA-N 429.550 2.292 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(CCN(C)C)CC1 1705544198 HLGPUWJUGCYVHI-UHFFFAOYSA-N 448.413 2.379 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCC1 1705630727 DUUQJDYZGREZEI-CALCHBBNSA-N 433.553 2.050 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)coc2C)CC1 1705642405 SNIDNUCVFUJXTN-UHFFFAOYSA-N 438.557 2.283 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CCC(OC)CC2)CC1 1705644112 YMFBMEOTAQJPCP-XLCOUGHXSA-N 445.608 2.353 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC)cc1 1705667340 RMWBPXMISYMLKH-HTAPYJJXSA-N 445.589 2.465 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705731825 DZLWOXBUTQJVEA-FQEVSTJZSA-N 435.532 2.450 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705830144 KCYPULOQABMMGH-VQTJNVASSA-N 429.569 2.500 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1705904004 BPYCTPRPQRJJSR-UHFFFAOYSA-N 435.576 2.363 30 10 IEEE CC(C)NC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1706645962 DOUZQEFYEQUMSB-UHFFFAOYSA-N 434.504 2.249 30 10 IEEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1706964035 ZYSGLNRZWRCDGY-UHFFFAOYSA-N 444.561 2.001 30 10 IEEE Cc1nccnc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1707792250 FDVVBWYWUDKXEY-JOCHJYFZSA-N 431.504 2.397 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1)OC 1712151205 HHTLFVSATWEDFI-FQEVSTJZSA-N 433.516 2.200 30 10 IEEE COCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712370273 GTONUIGDIWSMQN-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE COCCN(C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1712418437 DQSAJCANLIXABF-UHFFFAOYSA-N 426.521 2.382 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(F)(F)C1 1712912827 JKMMQSOZJCLNBQ-BMRADRMJSA-N 449.849 2.365 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1722293046 BIPOFVWDCQTAOP-QGZVFWFLSA-N 444.543 2.057 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722317485 GIRXLWBNRCDUCR-KRWDZBQOSA-N 441.536 2.288 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722362036 LXEBLXIUSGYONL-HSALFYBXSA-N 442.585 2.431 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722366369 IEJZBOHQVSIXEL-UXHICEINSA-N 426.542 2.122 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCc2ccccc2C1 1722374666 ZYVVDUHELUIFAM-RUZDIDTESA-N 433.556 2.061 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCS(=O)(=O)C1 1722409713 FQRMRGGCMJFYIQ-GOSISDBHSA-N 438.557 2.415 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722463366 ZNVHHABAEVNFKS-GOSISDBHSA-N 445.614 2.124 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O 1722665053 FVVBYYRRIDUGDO-UHFFFAOYSA-N 440.367 2.435 30 10 IEEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1723899708 KWQBJOPRFOMVEC-NRFANRHFSA-N 430.459 2.490 30 10 IEEE C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726604785 QMEHKBXHDDEMSI-HDRCJFCASA-N 427.896 2.366 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccccn3)n1CCCCCCO)C2 1731180342 HNGSFZVZSNHAGX-UHFFFAOYSA-N 433.516 2.352 30 10 IEEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731191031 XNMGOUQHGNCMPL-IEBWSBKVSA-N 426.496 2.148 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740623046 NGZWWWPDYIOHMX-LAUBAEHRSA-N 432.546 2.063 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(COC)CCOCC1 1740640180 IZHDTZRHWZDBNA-OAQYLSRUSA-N 436.512 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCS(=O)(=O)C1 1740658961 RVQJTCQMQXLZDL-LJQANCHMSA-N 435.553 2.179 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1740692421 KIXGBEZRWRNKTI-LGVFNWMJSA-N 445.608 2.135 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1740695297 MDSBOBVSVDZISH-UHFFFAOYSA-N 442.449 2.147 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1740696457 VAFUBLZSANWMPQ-DHIUTWEWSA-N 436.604 2.403 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740758358 WWORAYTZGKUSQF-BJLQDIEVSA-N 425.537 2.021 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740867566 ODHKCOGASXNGPV-IBGZPJMESA-N 427.553 2.199 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1)C1CC1 1740907368 WQEYUEBCEHEMHN-MRXNPFEDSA-N 441.561 2.277 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(C)c1 1740915604 MFBIZDGMDDHAEV-UHFFFAOYSA-N 435.532 2.497 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CCS(C)(=O)=O 1740918723 UAPGAQJFFPECGZ-UHFFFAOYSA-N 428.562 2.377 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)C1 1743420344 OHVHQJAFOVTOFO-GOSISDBHSA-N 426.521 2.260 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1745000056 CMMBWDRARAHBFO-BEFAXECRSA-N 431.500 2.363 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCCC1 1748773813 HMNLGEKZCHCFOL-UHFFFAOYSA-N 443.621 2.492 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1748829131 VSVYJMZDPAVTKT-GOSISDBHSA-N 433.537 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCc2ccccc21 1748864210 SVNTUSBVXQUOHH-QUCCMNQESA-N 439.585 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(S(C)(=O)=O)cc1 1748897199 WTLWTSQRXPVPDL-UHFFFAOYSA-N 433.537 2.179 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749047419 VTHHGSBYNMJQEO-OAQYLSRUSA-N 429.521 2.079 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@@H]2C)CC1 1749324461 WFAFMYNMNUMJKL-KRWDZBQOSA-N 425.537 2.049 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)OC 1749327157 FNFHCWSIQYRUBT-CVEARBPZSA-N 425.411 2.246 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1749390543 GEPXTAUWGYCUOC-MRXNPFEDSA-N 435.598 2.362 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1749828209 XBUSCQWTAMZWHL-SFHVURJKSA-N 426.521 2.235 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)o1 1750383314 SLRHAZXSSSSIOY-UHFFFAOYSA-N 433.291 2.218 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCSC2)CCOC1 1751014493 VXIDOKKKUXPUKL-SFTDATJTSA-N 435.594 2.317 30 10 IEEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)o1 1751487092 BYDLYTSGKWECKQ-JXFKEZNVSA-N 432.550 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1760215448 AULIQNXFRLLGJM-UHFFFAOYSA-N 430.487 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2conc2COC)CC1 1760268737 WVPBMTZMCUWJLL-UHFFFAOYSA-N 448.527 2.402 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1760269086 XPRMYRVUBWWIRA-IBGZPJMESA-N 437.592 2.359 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760307929 YGSIUDJQPSHIIR-ZIAGYGMSSA-N 433.372 2.094 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760334067 PDBCACFCBAWHAV-HKUYNNGSSA-N 445.593 2.342 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1760385121 NDXUIRQLESZGSO-UHFFFAOYSA-N 449.577 2.448 30 10 IEEE CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1764253193 BIOUELSJOXGNJD-MOPGFXCFSA-N 425.537 2.190 30 10 IEEE CCOCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766520133 UIDJISFSFKHPBA-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1766798418 DNEHONUXJANPDG-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1767205556 RKSAOUYMTKAILM-UAYHFDEJSA-N 426.521 2.449 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C 1769478195 VMAOCYQBMLDQTF-HNNXBMFYSA-N 448.531 2.492 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC[C@@H]1C 1770631319 KDZZOWYQNAEDDX-XJKSGUPXSA-N 436.438 2.356 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1770666676 ACCPNYYAKMCNOY-KFKAGJAMSA-N 447.923 2.291 30 10 IEEE CSCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1771482386 MJMUZKJVALKDMZ-QGZVFWFLSA-N 444.609 2.165 30 10 IEEE COc1ccccc1C(=O)N[C@H](CCSC)C(=O)ON1C(=O)c2ccccc2C1=O 1772791782 DSCLGAWSRXQMKN-MRXNPFEDSA-N 428.466 2.301 30 10 IEEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@H](C)NC3CCN(c4nc(C)cc(O)n4)CC3)C2)CC1 1853571879 FYURJPHNRPOTIH-ROUUACIJSA-N 449.621 2.198 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@H]2C)cc1 1855911173 WYYYYCAJDSJVOP-QGZVFWFLSA-N 425.510 2.248 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(Oc3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1856092349 MWICZVKDFIJVKD-UHFFFAOYSA-N 427.482 2.395 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4cc(Cl)ccc4C3)CCC2=O)CC1=O 1857069541 ULJGLYCWFFALJF-VQIMIIECSA-N 429.948 2.498 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccc(C#N)cc4)C3)ccc21 1858415507 FTFHNDMHQWJTCP-GOSISDBHSA-N 438.509 2.117 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCc3ccncc3)cc2)c1 1858651608 ZZNBMRYBRNZPED-UHFFFAOYSA-N 449.492 2.071 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 1861587287 XXXRNMDRHGRAEK-AGHHOFFYSA-N 435.524 2.331 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c(O)c1)c1cccc(Br)c1 1862524522 HIEZJMHHHWSDMY-INIZCTEOSA-N 434.242 2.431 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(N(C)C)cc2)c1 1862701782 NFJDZIQDTZRXDH-NRFANRHFSA-N 437.496 2.476 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866930109 YDHMRPODKLQELW-FPOVZHCZSA-N 439.537 2.439 30 10 IEEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(c3ccccn3)CC1)n2CCCOC 1875221285 IMSDGUGHXQMJDN-UHFFFAOYSA-N 435.532 2.423 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NCCN3CCC(C#N)CC3)SCC(=O)N2C(C)C)cc1 1889818944 OWHNNPNOHKALMH-VXKWHMMOSA-N 444.601 2.440 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)NCC#CCN(C)Cc3ccccc3)ccc21 1890560060 OCSMDZPBNPBNLE-UHFFFAOYSA-N 425.554 2.399 30 10 IEEE C=CC1(N[C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 1904401353 IZNXHFRPMLALNW-LHSJRXKWSA-N 425.526 2.462 30 10 IEEE C[C@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2060636486 YMFRTGAYCGRYHT-MRXNPFEDSA-N 437.390 2.478 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060636913 DNGJRKRSIYVTBV-IAGOWNOFSA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NC2CCN(CC#N)CC2)CCN(Cc2ccccc2)C1 2060821181 JDZWONROVZMCPF-DEOSSOPVSA-N 441.576 2.260 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2occc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2066590997 YVVCCPFULSZQLJ-GFCCVEGCSA-N 433.318 2.317 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C1 2223249612 YPQRWMBAENQWLC-OAHLLOKOSA-N 442.337 2.391 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 2247551507 QIPRXKSKTWMLRQ-JXORXQGFSA-N 437.537 2.045 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831543 ADRBBJLHGPBKCB-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2247836199 YGQIRVKZDIXNSD-GFCCVEGCSA-N 439.343 2.113 30 10 IEEE C[C@@H](CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255543277 GCDPJIJGWWGYKF-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2cc(F)c(C(=O)N(CC(N)=O)Cc3ccccc3)c(F)c2)OC1(C)C 2255543446 JDXCNZBWHBYQEC-UHFFFAOYSA-N 430.260 2.392 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255627361 RNPBMQOUVRCLJM-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255629291 TXKGOZKKKRWGPR-CQSZACIVSA-N 436.362 2.378 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2255826395 AIIWTGODRKIOGU-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255884510 ZBXQIHJBGHIKRC-SJORKVTESA-N 432.326 2.008 30 10 IEEE COC[C@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2256680021 QBTJFUPIDBXZJJ-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE COc1cc(CNC(=O)CN(O)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2260905723 UHHREMKFIKWDQC-UHFFFAOYSA-N 436.314 2.237 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)ccc2F)OC1(C)C 2266975460 GMUQUAZEKGZPDY-QWHCGFSZSA-N 442.218 2.113 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267137297 MCLBUHMPBNWJCM-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267143114 CVCSCXZDVGRFSJ-CQSZACIVSA-N 448.373 2.474 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCCN1C(=O)OC(C)(C)C 2267174521 UICGFJGBPZQYGR-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267186133 FOAKWRGLESKSGS-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267273623 PEEQOCIQVTZUSC-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(N(C)C(=O)OC(C)(C)C)CC2)n1 2267527856 NLQTWZHNABNSFI-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267597673 WVISVABHVFOFOJ-MSOLQXFVSA-N 446.353 2.398 30 10 IEEE C[C@H]1[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267873725 RGKMZFDUBZRNDU-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE COC(=O)C(C(C)=O)=C1NC(=NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 2293198369 ADQNKOMEZZAFFN-UHFFFAOYSA-N 438.352 2.166 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2315294351 OUFQUMWBOPYUIK-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)n1C 2337270381 KRAUGHSIYVVCQO-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)cc3)n2N)cc1 20805968 JBGBYCZYNQSEJL-SSDVNMTOSA-N 440.485 2.208 30 10 IEEE COc1cc(/C=C2\S/C(=N/C(C)=O)NC2=O)cc(Br)c1OCC(=O)O 27531949 GMVGCXJGJYMQTA-WZUFQYTHSA-N 429.248 2.028 30 10 IEEE N#Cc1cccnc1N1CCCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 108972103 VEHZJIDNXANINA-UHFFFAOYSA-N 446.555 2.018 30 10 IEEE N#Cc1ccc(C(=O)NC2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)cc1 257183731 HVOHYYWTNJVAMQ-SYYKKAFVSA-N 449.555 2.205 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(OC)c1 442757333 GEMRAAYFCLBYIN-UHFFFAOYSA-N 445.497 2.417 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2CCc3c(Cl)cccc3C2)cc1 443554750 BNZBRFXUAWPYBT-UHFFFAOYSA-N 446.960 2.320 30 10 IEEE C=C(C)Cn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 460775294 RFQCHERPNKFPFB-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 460810087 PTYPSIYXUFVDFT-LPHOPBHVSA-N 431.562 2.311 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 471681774 AADXQTMNMXOEJL-UHFFFAOYSA-N 435.406 2.192 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NCCOc1ccc(C#N)cc1)CC2 482376328 MPAZXOKQOAAWLZ-UHFFFAOYSA-N 437.496 2.436 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 500602926 BCGBKKPZTCGETD-RTBURBONSA-N 449.555 2.419 30 10 IEEE CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)c2ccccc2O1 505192718 XYATZLDMXIEXMO-LJQANCHMSA-N 426.517 2.238 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 506182916 NKEJOBHXHRZGNQ-JOCHJYFZSA-N 448.951 2.366 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccccc1C#N 507085385 FEVKJLQNUWRTLF-UHFFFAOYSA-N 444.491 2.023 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508474557 VCXQUVRDOCFGRE-UHFFFAOYSA-N 432.532 2.326 30 10 IEEE CN(C)CCOc1ccccc1N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513785537 OITBAHRUJMZHIU-UHFFFAOYSA-N 442.585 2.095 30 10 IEEE N#CCc1ccc(OC[C@H](O)Cn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)cc1 514098333 CYCUNHXWPFJWRZ-OAQYLSRUSA-N 430.508 2.308 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 516949918 WPQCHQZMRAIBKF-UHFFFAOYSA-N 445.491 2.214 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)s1 518712991 KMBKBHFDYCGYES-UHFFFAOYSA-N 435.574 2.364 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@@H]1CCCO1 532611641 LJMIJSHGNWVATA-AWEZNQCLSA-N 448.466 2.378 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3COCCO3)n2Cc2ccccc2)CC1 555180888 ULNRUNAYYMANIB-FQEVSTJZSA-N 431.500 2.008 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604135649 BRRWVLWGSIAVLS-UHFFFAOYSA-N 435.484 2.447 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2nn(CC)c3ccccc3c2=O)cc1 605266320 DFOKTFFKPZOBKG-UHFFFAOYSA-N 426.498 2.475 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@H]2c2ccco2)CC1 609739611 BTYXHLMSEMKNJS-KRWDZBQOSA-N 437.456 2.121 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CC(C)C 611916201 PCTHIHBRIRTZEJ-UHFFFAOYSA-N 434.565 2.389 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCc2nn(CC)c(=O)cc2C1 670211777 WEHOIHLHMOIUAQ-UHFFFAOYSA-N 434.500 2.432 30 10 IEEE Cc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1C 727868107 JDBCNQJGWXAFIW-LKUDQCMESA-N 442.541 2.485 30 10 IEEE COC(=O)CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)Cc1ccc(F)c(F)c1 731032932 LXQSDCSICKGYNT-HNNXBMFYSA-N 440.406 2.465 30 10 IEEE C#CCN(CC(=O)NCc1ccc(COc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 731212750 KINKFGKQSLFAIR-NRFANRHFSA-N 426.538 2.004 30 10 IEEE CCO[C@H](C)c1nc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cs1 742421923 RRWRDRCRDSJFRS-CQSZACIVSA-N 435.575 2.082 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 749798124 NNTWSVIDAHXKNW-OALUTQOASA-N 432.590 2.419 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H]1COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757266513 BZKQRKAJOZTUIH-VXKWHMMOSA-N 448.475 2.087 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 774029098 KPCWPAQNARQHGS-GOSISDBHSA-N 427.482 2.163 30 10 IEEE COc1cc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 778813370 ZBOITOWLRIRCMX-GFCCVEGCSA-N 433.442 2.164 30 10 IEEE N#CC1(NC(=O)COC(=O)c2c(N)cccc2I)CCCCC1 780277520 IHJXLKHPGOCYSL-UHFFFAOYSA-N 427.242 2.373 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)[C@H]1CCCO1 786817207 SRLTYJPQRADWCF-FUHWJXTLSA-N 440.327 2.407 30 10 IEEE COCCn1c(CSc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802514708 HRCZOEANWQRMRQ-QGZVFWFLSA-N 428.562 2.402 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CCCN1C(=O)OC(C)(C)C 804556663 BGTMYPIRMDAGTP-UJUVCNOISA-N 434.537 2.311 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](c2cnn(C)c2)C1 849572661 CRMOENBYLVQNIZ-VABKMULXSA-N 448.571 2.417 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)Cc3ccc(Br)cc3C#N)C2)n1 856713954 COECVZCJKRVCGU-IBGZPJMESA-N 433.306 2.405 30 10 IEEE COc1cccc([C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)OC)c1 1131332249 CTYFUGQVQVKUPQ-VQTJNVASSA-N 436.468 2.276 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3nscc3I)CC2)c1C#N 1141621910 LBXDMSPFHCSKOC-UHFFFAOYSA-N 445.311 2.347 30 10 IEEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CC(C)(C#N)C3)C2=O)cc1 1169871934 DRWXZSUKNNCBRD-YVLHZVERSA-N 428.514 2.083 30 10 IEEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1177476428 SAEUJGGFONGDNK-LJQANCHMSA-N 440.477 2.120 30 10 IEEE C#CCN(C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 1264995531 JHBKYMQTVJZGSJ-CQSZACIVSA-N 435.908 2.416 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1286287721 CNEZCSGLIUTOAI-VOIUYBSRSA-N 447.543 2.001 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286346758 BNKXCDIFYDVVLL-BGYRXZFFSA-N 437.592 2.313 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286386790 HNSAICARXGBEMH-KRWDZBQOSA-N 433.553 2.051 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286390534 APWBUAAAASTIBF-SJLPKXTDSA-N 434.587 2.451 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1286391853 JIIOLUYUMSEECH-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)SC 1286400442 GGUAWLLHOWUKIN-HNNXBMFYSA-N 430.603 2.371 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1286451227 VRVPZOULKAHMBX-HXUWFJFHSA-N 448.365 2.146 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1286467864 VNNUJZOPYNIHBF-GOSISDBHSA-N 438.507 2.436 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2csc(C(C)(C)C)n2)CC1 1286477365 YQENFKOFBLWTDV-UHFFFAOYSA-N 436.589 2.487 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(CCC)C2)CC1 1286481527 FBGBDVILODEIIC-IBGZPJMESA-N 427.622 2.121 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286632942 AWYKQGBUGMNABC-ABSDTBQOSA-N 425.961 2.056 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1286723073 YUCDLCZHYLXVFY-PMERELPUSA-N 426.546 2.208 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C)C1=O 1286745953 ZHMLUTQXFTWKQQ-QHCPKHFHSA-N 440.523 2.211 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1Cc1cccc(CS(C)(=O)=O)c1 1286964267 FTYUBUISQNZBRZ-MRXNPFEDSA-N 426.546 2.472 30 10 IEEE CC(C)CSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287868443 AERVHAJMZACHFZ-QGZVFWFLSA-N 441.561 2.153 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)CC 1300283106 LJEQVXAPRAUKFE-ZDUSSCGKSA-N 440.367 2.105 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1300308239 NSGLKZWCIOJZQK-SJLPKXTDSA-N 446.573 2.484 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H]1CCOC1 1300387101 ZADQXLSFPVGBJX-KRWDZBQOSA-N 430.578 2.433 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1300588366 JGPNIGZHLDRBSQ-QGZVFWFLSA-N 443.041 2.260 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC=CO2)CC1 1300685931 VFNTZTZKHKSCMH-MRXNPFEDSA-N 431.338 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300892953 WRVHWCNJSLNOLA-DWLFOUALSA-N 441.580 2.178 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1301297329 PGLCROALIYENPI-MRXNPFEDSA-N 443.932 2.074 30 10 IEEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1301452159 JKKWBYSMDFKQMY-TZIWHRDSSA-N 427.549 2.268 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1302207616 IWPBAPTYMBUNRF-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n1 1304493312 CZYJICZIOKVWGG-DEOSSOPVSA-N 445.527 2.377 30 10 IEEE CCc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1305919148 UUMCSHCDZFAGLV-HYHOCUEZSA-N 436.516 2.259 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC[C@H](CC#N)C1 1307922869 CYTFYKPHUGATTO-GOSISDBHSA-N 447.605 2.491 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1311722219 OSGWXSDGDRPAMR-QZTJIDSGSA-N 443.544 2.423 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)CC2)c1 1312364371 HYTXGEGAVYFQEA-QHCPKHFHSA-N 446.555 2.408 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1313276337 VBPDLACYMCQZGD-LJQANCHMSA-N 449.573 2.256 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 1313291551 MLTRHXWWAHTKGQ-AQNXPRMDSA-N 434.581 2.188 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1316264771 SXJFKZZEDDHIKC-GOSISDBHSA-N 441.532 2.254 30 10 IEEE C=CCO[C@@H]1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 1320308248 OPJBOLJIUZUZPS-CABCVRRESA-N 426.254 2.200 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2Cc3ccccc3OC2=O)c(C#N)cn1CCOC 1355037513 OEPGFYOVWCALRF-UHFFFAOYSA-N 426.429 2.136 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358962614 TUTCQAYDFZZUMO-FQEVSTJZSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(c2ccncc2)CC1 1358984421 ULJLHJZZXIGKLV-UHFFFAOYSA-N 445.571 2.289 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1358997651 ADHPAMARECEWQS-JOCHJYFZSA-N 427.936 2.040 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359048534 UIEYXEKUUUUEAC-GVDBMIGSSA-N 426.546 2.011 30 10 IEEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1359061737 LCKPTMVMASJYMT-UHFFFAOYSA-N 436.628 2.480 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 1359062616 NRKRBIJVKWPEIW-OAHLLOKOSA-N 433.607 2.237 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1359132729 DGLYBRVKWCIDSG-SFHVURJKSA-N 439.626 2.084 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1359178905 GEVOIPFJYBGOFD-KURKYZTESA-N 441.573 2.152 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359227036 RJILMINSVADACU-KRWDZBQOSA-N 431.516 2.021 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)C1 1360038661 GUISOJVVJMDXCO-FQEVSTJZSA-N 426.569 2.165 30 10 IEEE N#C[C@]12CN(C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)C[C@H]1CS(=O)(=O)C2 1439798283 UGSCTDSCSXKCFE-HRAATJIYSA-N 427.457 2.088 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1 1443248422 CMMWZNDKSVZANF-MRXNPFEDSA-N 431.514 2.305 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCN(c4ccsc4C#N)CC3)CCC2)C1 1453386857 BBTXYHKINQYWKB-UHFFFAOYSA-N 446.573 2.420 30 10 IEEE COC(=O)[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc(OC)c(Cl)c1 1460078496 QZIKELQTXRYYFM-IBGZPJMESA-N 426.856 2.452 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)cn1 1464040474 FMDMQBQIBBMZCJ-UHFFFAOYSA-N 437.319 2.032 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCOCC(F)(F)F 1464517586 QDRDWCFRPQGMQC-UHFFFAOYSA-N 428.473 2.230 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1465029741 ATFPNVUTTXVFEI-AABGKKOBSA-N 448.608 2.132 30 10 IEEE C#C[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1465139063 QXFRWKIQKJSVPH-SFHVURJKSA-N 448.589 2.431 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCCO1 1467293754 OFBCRDVTFHRBLW-CEXWTWQISA-N 430.501 2.310 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1C#N 1471423924 DVZOFMAOFDRCEW-DLBZAZTESA-N 445.568 2.125 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)NC(C)C 1505059716 BHKQGFWMJZQQAP-ICSRJNTNSA-N 426.521 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1507739463 QCLATFGZXBMIRW-SXLOBPIMSA-N 429.565 2.037 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1507803830 JBLUWAZNWXSGEA-LAUBAEHRSA-N 445.589 2.259 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCOC2)C1 1508119409 ZOMKEWYUVGEOHP-WZONZLPQSA-N 444.532 2.285 30 10 IEEE CCc1cnc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1513718535 BBFWQXNFMJHYON-MGPUTAFESA-N 432.550 2.115 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@@H](C)O1 1514177605 DDEQVOGSVYQRIC-IEBWSBKVSA-N 441.532 2.274 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)C1 1517411261 DERRJFYNGXBNEP-RTBURBONSA-N 448.369 2.232 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1520267720 PNKVTHZGDMDQEF-SJORKVTESA-N 426.546 2.339 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1)C1CCOCC1 1532935369 YYHGDOBPVMVSAR-FQEVSTJZSA-N 433.574 2.085 30 10 IEEE Cc1cnc2c(cnn2CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 1534147115 TTXUJOGTJMBBMN-MOHJPFBDSA-N 426.502 2.191 30 10 IEEE O=C(C[C@@H]1CCS(=O)(=O)C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538726061 FVYCXGZWTHLEDS-DJLDLDEBSA-N 429.329 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 1538982783 MLSREBDIAHBWHE-SJORKVTESA-N 427.567 2.389 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CC 1539179237 NYSOJDSIBIIQOM-QZTJIDSGSA-N 432.569 2.140 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539202720 KLLANDLSDXHRER-FUHWJXTLSA-N 446.573 2.484 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1539224226 DFWDGIMNTHANQD-SFHVURJKSA-N 427.555 2.000 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1539252622 DOWMQJXMQPKTQU-UHFFFAOYSA-N 430.487 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCSC1 1539306311 GGGFHEGIGUTUJV-JOCHJYFZSA-N 426.542 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)CCC)CC1 1539475409 FFZGSRIBPCNHSN-XMMPIXPASA-N 439.560 2.471 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1539751280 JZODWVCSCFMCRM-RBUKOAKNSA-N 438.594 2.168 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2)CC1 1539848992 SIVGHBQWXLHRSQ-HXUWFJFHSA-N 445.589 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1540870202 HBAXGLBYUMHVSL-QZTJIDSGSA-N 444.605 2.419 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCCCC2)C1 1540895011 JMPDCTIKBWLDQG-LJQANCHMSA-N 430.597 2.446 30 10 IEEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1542667477 ZRLGBIICBZHNND-NFFVOIMASA-N 449.515 2.288 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCC(=O)N1CCOCC1 1546499377 VOYUUXFHRIIQAE-OAQYLSRUSA-N 436.560 2.420 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC=C(C(F)(F)F)CC2)o1 1555989297 FZJMSHXLTRSKAH-GFCCVEGCSA-N 441.435 2.392 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCCO)CC1 1555991661 YYKZMLQCBCVIQU-HXUWFJFHSA-N 439.564 2.318 30 10 IEEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC2=O)c1 1558675562 HHTNPLLOGXGGPI-GFCCVEGCSA-N 426.498 2.157 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)C1 1584001947 IQTTUYBDMMITCD-ZDUSSCGKSA-N 431.334 2.274 30 10 IEEE Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 1587078673 FAZMLDRDQGVNID-OAQYLSRUSA-N 435.509 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1CCOC1 1587567692 IXUAAKUEKVXEFY-DOTOQJQBSA-N 430.578 2.431 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587615813 YVMIRCAVEIIHCC-IAGOWNOFSA-N 440.573 2.176 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1587838246 QUUHYUOCBLZBAH-UHFFFAOYSA-N 431.500 2.295 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588035305 RFMMEJBIIDPWCD-GCJKJVERSA-N 444.557 2.150 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC[S@](=O)C(C)(C)C 1588140655 ZNFBZSIRXMVZAK-QTEAWJPNSA-N 426.542 2.411 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1588550836 ZFRSMXFZPWSIGZ-MOPGFXCFSA-N 446.548 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccc(CN2CCOCC2)c1 1588619767 FACNSHVJEACQNU-UHFFFAOYSA-N 448.571 2.250 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1589088748 HKXASSDSXQIFSA-NRFANRHFSA-N 440.617 2.179 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1593689933 GFLZUGUSINNEKA-UHFFFAOYSA-N 446.596 2.238 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)CC1 1593721705 CMHYIEISLNKLSS-UHFFFAOYSA-N 443.504 2.197 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595562406 XVKGTHJJUGKRHC-MRXNPFEDSA-N 427.534 2.308 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1596291586 XAICGVPSKOPOBV-FQEVSTJZSA-N 441.553 2.491 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1596742017 UEODPNKNQRFJLM-GJZGRUSLSA-N 437.990 2.343 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)C1 1611774459 DJAFREBHPIMWOU-DEOSSOPVSA-N 449.559 2.311 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)NC1CC1 1613320621 OXXPUCFEDGDTBJ-KRWDZBQOSA-N 436.564 2.444 30 10 IEEE N#Cc1ccc(NC(=S)N[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OC(=O)NC2CCCCC2)cc1 1616134992 QVDNNFUICVVFSZ-AKHDSKFASA-N 430.530 2.438 30 10 IEEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1618698306 YZBCYHLITZLTRK-UHFFFAOYSA-N 434.517 2.330 30 10 IEEE C#C[C@H](NC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccc(Br)cc1 1624207903 YZGFSANAFBLZQJ-KRWDZBQOSA-N 443.301 2.421 30 10 IEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC=C(N)N2)c1 1626491889 WHTDJRJUSABONA-UHFFFAOYSA-N 448.932 2.490 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 1626978445 QCELKKBQRUPOOV-MRXNPFEDSA-N 449.598 2.469 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(F)cc(I)c2N)CC1 1627800412 SWMWOFJXSDSDOF-CQSZACIVSA-N 430.265 2.318 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1630575779 LLUSZLUYIAGXIU-BJMVGYQFSA-N 435.477 2.013 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)s1 1632337863 GBMAALYDFCBCIE-LPHOPBHVSA-N 433.599 2.392 30 10 IEEE Cn1cc(CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1638375392 JVQQJWRZAHIPIT-QGZVFWFLSA-N 438.488 2.245 30 10 IEEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1639652025 UJMSFTCRYQGXRG-UHFFFAOYSA-N 441.513 2.024 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1 1642692639 OPNAGVHOFZJNEF-VQTJNVASSA-N 439.537 2.128 30 10 IEEE C=CC1(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1643029123 NYNGFGXSAFVCAR-CVEARBPZSA-N 439.553 2.286 30 10 IEEE CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)c1cncc(C#N)n1 1650976909 AGGXLGTUPPXTGJ-UHFFFAOYSA-N 425.308 2.171 30 10 IEEE N#Cc1cccc(CNC(=O)CN[C@@H](CO)c2ccccc2I)c1 1655043573 ZJCUSVMSIQHNLS-KRWDZBQOSA-N 435.265 2.102 30 10 IEEE CNC(=O)[C@H](CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)Cc1ccc(F)cc1C 1673920123 NBAONEWUVHFIPD-PZJWPPBQSA-N 426.492 2.286 30 10 IEEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1674676503 QYRBIIMMAHQNFG-QILLFSRXSA-N 440.363 2.350 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(C#N)s2)C1 1683287870 BSBCZRCRMOWRCP-AWEZNQCLSA-N 435.550 2.182 30 10 IEEE C=CCOCCCNC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1683929231 XYEGUNUFVVRZJE-UHFFFAOYSA-N 431.924 2.310 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCC(C)(C)O)c1 1689872331 VIGFIMRNHHEGDJ-UHFFFAOYSA-N 432.528 2.481 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1689923563 WRCANOPIPWUXMN-SFHVURJKSA-N 445.589 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CSC)cc1 1690032890 LOKJUPIHHDMMPJ-QGZVFWFLSA-N 445.614 2.263 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1690060597 BXSWGSCKUHJDNO-VIZSFHNOSA-N 433.597 2.278 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1690077474 PMZSEXSMTLZLEF-LJQANCHMSA-N 432.546 2.465 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690135063 PCSPPJUGPQAYMH-MXEMCNAFSA-N 445.608 2.003 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1690332579 FKYFPFUFYMPQLM-UHFFFAOYSA-N 449.939 2.446 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC)CC1 1690411358 KOVJDPKKQNKIGT-SFHVURJKSA-N 431.562 2.425 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1)c1ccccc1 1690442070 MBXSZICQYHVWLT-OALUTQOASA-N 438.532 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1690731180 BTZLDFMLDYERGQ-OOSNJVJTSA-N 438.594 2.154 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1csc(-c2ccco2)n1 1690992913 BMESLUCFMWMJKZ-STQMWFEESA-N 449.562 2.249 30 10 IEEE Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1693014602 BMWQFBHAUMBQAW-DEOSSOPVSA-N 449.559 2.269 30 10 IEEE CCOc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1OC 1696122081 NGHJYRNVYVBBSW-QZQOTICOSA-N 440.504 2.157 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1696579946 FLZNIZZAQMGIIU-UHFFFAOYSA-N 425.537 2.036 30 10 IEEE COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)cc1O 1697445899 OCOJXCMTZVEFJC-OAHLLOKOSA-N 426.864 2.485 30 10 IEEE COC[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697857129 NNILQMUKNKGQAA-BSBNDGSWSA-N 428.537 2.325 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705543322 CCNCLSWZWOUYHX-UHFFFAOYSA-N 447.543 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2cncn2)nc1 1705576334 IWXZXEYWCZXSQF-UHFFFAOYSA-N 429.875 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC(C)C)NC(=O)OCC 1705587933 OYXQDPIVGUMNSR-IBGZPJMESA-N 442.564 2.138 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@@H](C)C2)CC1 1705642157 IYNPZTGPMWQQKB-MSOLQXFVSA-N 426.590 2.461 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705763925 IOHUQUNYRMRQRQ-NQIIRXRSSA-N 438.594 2.300 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1705830980 ZMQPUWBZSPMBAY-PXNSSMCTSA-N 441.532 2.346 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCO[C@H]1C 1705856994 MZULOFOVEAXWHW-GAJHUEQPSA-N 438.532 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1705899952 LPUZHXOSNRNRKD-IRXDYDNUSA-N 427.553 2.097 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(F)cc1 1706620992 CMVSKKWRNLKZAV-UHFFFAOYSA-N 448.506 2.197 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1706768693 DVCZBKSYMGKBSH-LRAJWGHMSA-N 449.531 2.174 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1706768695 DVCZBKSYMGKBSH-VTJXTGGHSA-N 449.531 2.174 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCO2)cc(OC)c1OC 1711653493 CRIVBXSWWJWMIZ-IRXDYDNUSA-N 441.488 2.045 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722275244 CLZQPAYGTMPVQN-XSLAGTTESA-N 438.642 2.103 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1722365592 FTPKAIYZJXHRSQ-LJQANCHMSA-N 440.573 2.108 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722366280 HEQSKZVVYCNRMB-WMZOPIPTSA-N 449.964 2.243 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N(C)C)CCOCC1 1722377086 OTAZJTWEAXNUNX-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722412946 SCEUYOPUCSPKFI-UHFFFAOYSA-N 438.557 2.022 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1nc2cccc(Cl)c2n1C 1722415298 CAHYOUITKCHAAW-UHFFFAOYSA-N 425.924 2.448 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CSC)cc1 1722428867 KZSGAMINKXXHCM-LJQANCHMSA-N 448.614 2.178 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722492186 AMJWGRKBCNOTEG-JKSUJKDBSA-N 426.359 2.339 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCCC2=O)C1 1722697195 XJIJIHOBFSPXJW-HNNXBMFYSA-N 428.924 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1722730230 MCFYPLLWPYIISH-ROUUACIJSA-N 435.594 2.018 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(F)F 1723660082 CWBPTRZBYDCTET-UHFFFAOYSA-N 426.493 2.236 30 10 IEEE C[C@@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1723967863 BVBKYOHOEQGWNI-PGRDOPGGSA-N 443.573 2.218 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOC[C@@H]2C)cs1 1725355190 YZDYLOQTAGTCLM-KKSFZXQISA-N 429.594 2.485 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOC1=O 1726956195 IYAOAPUNUCCTIK-CQSZACIVSA-N 425.493 2.169 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1727228756 AEDKFGSKWSMFQK-IBGZPJMESA-N 438.532 2.103 30 10 IEEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1728115626 FGIXRRRVPFEMNQ-MRXNPFEDSA-N 448.980 2.442 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)CN2CCCC2)CCOC1 1728794091 FNKHRBROLAYVAF-FGZHOGPDSA-N 434.560 2.494 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1729749833 FYILIWSAOSKJGY-GOSISDBHSA-N 438.488 2.048 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1740594632 TXIIAWJVRPWVQC-SFHVURJKSA-N 428.581 2.191 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740626624 XOKOILIKRISLQD-WMLDXEAASA-N 433.603 2.426 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCc2sccc2C1 1740633218 ZYZHWMKFCPLVSF-QHCPKHFHSA-N 439.585 2.123 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@](C)(O)CCOC)CC1 1740692980 RHJHFDPKUDHDBZ-XMMPIXPASA-N 434.544 2.036 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740782317 MORNEVNKTBQWBY-GFCCVEGCSA-N 442.467 2.128 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(C)CN(C)C1=O 1741369838 GDTXTOJOQFKSPB-QFIPXVFZSA-N 425.512 2.217 30 10 IEEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1741520128 HRJCRHMGYSYMTG-SFHVURJKSA-N 433.520 2.395 30 10 IEEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1741851344 WKXFLCRVRJSPOR-MJGOQNOKSA-N 441.555 2.460 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)C1=O 1748046870 GLISFILFIQLSMS-OAQYLSRUSA-N 437.529 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1748639584 JQTSTWBWNKXIDW-BBRMVZONSA-N 428.562 2.493 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748721422 ILLUKYZVUZNGSQ-UHFFFAOYSA-N 440.567 2.458 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811170 CTMJHCXUCWQVJV-SFHVURJKSA-N 439.541 2.369 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1748819972 VWSSSRIGABPVIK-HNNXBMFYSA-N 425.967 2.013 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@H]1C 1748968757 KGGUIDDDHYQIFD-KKSFZXQISA-N 434.924 2.136 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749126505 CWALENQFZGZWEL-MJGOQNOKSA-N 437.610 2.387 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1749159747 XUHBZORDDGEBKU-IAGOWNOFSA-N 443.614 2.075 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1749658001 KDTBKWACVUGLDR-UHFFFAOYSA-N 430.940 2.205 30 10 IEEE CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1750595162 ZWAHFIYCOREUPE-KURKYZTESA-N 448.568 2.450 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1750995347 KLOPANZEVVWTSA-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C2CC2)O1 1752292059 JPLMTESJTJGKCZ-LOKVPMTLSA-N 428.537 2.106 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1760097076 ZZVCNEWIQHMWLV-YJBOKZPZSA-N 431.924 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1760099804 LZPJAELJCLDAFA-JPYJTQIMSA-N 425.533 2.127 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)[C@H](C)CC 1760102103 FEOZKOXNUFEWEY-QZTJIDSGSA-N 446.621 2.384 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760143335 CNKXKKATWJCDKC-SOAMZJECSA-N 432.565 2.360 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1760212513 WMVQEWBXCITKNO-XZOQPEGZSA-N 445.633 2.219 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1760270727 XRLFPZJBCHCIKX-UHFFFAOYSA-N 446.559 2.052 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@@H]1C 1760502533 BXKGIIJHCLDROT-WZONZLPQSA-N 438.532 2.310 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCOCC2)C1 1760546502 PQCXQFLSFJDPGN-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1762063032 BTVDSSUCWWDNAK-BLIXFSHQSA-N 431.562 2.108 30 10 IEEE Cc1noc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)n1 1762678538 SWYSGGYBYOJVJN-AWEZNQCLSA-N 429.431 2.200 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCCCCCO 1763044528 QDABGMLPTDRUEA-GOSISDBHSA-N 447.547 2.270 30 10 IEEE CC[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1763373804 FHIIMQGCKDMXGS-MRUHUIDDSA-N 436.557 2.486 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1764581595 PHSKCCJKTSMXMI-HSZRJFAPSA-N 438.532 2.262 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 1769488466 FDKDSEACQXELJD-QFBILLFUSA-N 438.532 2.103 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CN(CC(C)C)CCO1 1770172872 MVOYRPNNBDWTSR-WCIQWLHISA-N 434.585 2.097 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1NC(=O)CC1(C)C 1770189938 NSEFCPIPDZOSHB-SCTDSRPQSA-N 430.553 2.047 30 10 IEEE COCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770714923 BYUHFJAQICDVQY-UHFFFAOYSA-N 433.516 2.471 30 10 IEEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770790948 CWZINVFAFHQCOH-KRWDZBQOSA-N 442.474 2.000 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)cc1 1771532608 HQDVMAVGXKMHJN-SFHVURJKSA-N 427.459 2.275 30 10 IEEE CN1CCN(c2ccc(N(C(=O)CC#N)S(=O)(=O)c3ccc(Cl)cc3)cn2)CC1 1851533425 FTUBSIFAAUEAPY-UHFFFAOYSA-N 433.921 2.122 30 10 IEEE N#Cc1ccccc1N1CCC(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)CC1 1851613919 SXMZFUUBZAENKC-UHFFFAOYSA-N 430.508 2.215 30 10 IEEE CCOc1ccccc1N1CCN(C(=O)CNC(=O)c2ncc(C#N)cc2Cl)CC1 1852036849 SNCOMSJCXIKBFY-UHFFFAOYSA-N 427.892 2.084 30 10 IEEE Cc1ccc([C@@H]2[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC(=O)N2C)cc1 1852634810 TWQQYAXEWXNDHY-VQIMIIECSA-N 439.541 2.342 30 10 IEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)NCC(=O)O)sc2c1CCCC2 1858788904 PIWCGBGVTDFJEX-UHFFFAOYSA-N 429.458 2.117 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862609668 SAODUOCMSOHYHC-BLVKFPJESA-N 440.408 2.325 30 10 IEEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)cc1 1862756879 DEYFNSLQBDYULR-KRWDZBQOSA-N 426.381 2.254 30 10 IEEE C/C(=C\C(=O)N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 1867073883 JQLXNXYLFVBJNR-SFKKXYGYSA-N 440.525 2.355 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868795868 NVJGFFJSOHLDSO-PMACEKPBSA-N 445.633 2.472 30 10 IEEE O=C(NCCCCCCO)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933679 MDIMODSAFLFSRS-LJQANCHMSA-N 447.532 2.144 30 10 IEEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CSc1nnnn1C 1870268854 NKJGDOHVOVFEOH-UHFFFAOYSA-N 429.502 2.317 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 1874375018 AEUYYECFLOHEJX-FOKLQQMPSA-N 427.461 2.239 30 10 IEEE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)NCC#CCN1CCc2ccccc2C1 1889476149 JROMALZTRPVUOP-HXUWFJFHSA-N 448.592 2.337 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2N)CCN1Cc1ccccc1 1914862964 SJGWGIBWULISIA-INIZCTEOSA-N 435.347 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1nc2ccc(Br)nn2n1 2180893128 AZRLFKLPVJKCMC-SNVBAGLBSA-N 438.286 2.412 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)C1 2247557980 RFDJEYRKDIORHW-SHYRYGCCSA-N 431.455 2.353 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2247835715 PGVPMHXIAIOXSR-STQMWFEESA-N 435.355 2.276 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2250703555 RSRUHHSKAUKHJB-FOIQADDNSA-N 442.387 2.350 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256627147 SEBMWNLMHZOVGU-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267148899 FZXCXMUWKMMNES-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267274907 HCXZFYKRZXBENE-VQFNDLOPSA-N 445.369 2.262 30 10 IEEE Cc1c(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267503313 BOIHVKNVORYQPN-UHFFFAOYSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267531750 UXKWTELITKUVOI-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1 2267599748 VKCPSWFXZWGDIP-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE C[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267608811 JMKAYHDNZFJNJX-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870088 ADDMCFRTKCZPQJ-LSDHHAIUSA-N 446.357 2.246 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268712843 UTFURTCITJFGGJ-GDBMZVCRSA-N 447.341 2.344 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCc2cnn(Cc3ccccc3)c2)n1 2281992792 RNWAIDQZNIOLCS-UHFFFAOYSA-N 449.364 2.420 30 10 IEEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282835451 UZSJXAIWQGDNTA-UXMMLNGASA-N 441.833 2.088 30 10 IEEE COc1ccccc1[C@H]1C(=C(O)c2ccco2)C(=O)C(=O)N1CCCN1CCOCC1 2296925433 DTFNFPKFMPJLJM-FQEVSTJZSA-N 426.469 2.432 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2301386991 FUIWHWBHPXLESB-CABCVRRESA-N 439.749 2.426 30 10 IEEE COc1cccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)c1O 2327446193 ZGQZXLZYXPDJBG-UHFFFAOYSA-N 449.439 2.309 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccnc2)/C1=C(/O)c1ccc(Cl)cc1 102495896 VBTRECJNTOSBTP-LAFOYAEKSA-N 427.888 2.489 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)c1 107682200 DNQHLBSCAIJLFD-UHFFFAOYSA-N 425.554 2.301 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 109943427 JGLJIIVLCQDBIY-IBGZPJMESA-N 448.504 2.475 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3/C=C/c2ccccc2)C1 203567544 GKCUZWLYQGRSSW-RAIGCOBESA-N 447.495 2.438 30 10 IEEE COc1ccc(Cl)cc1N1C(=NC(=O)[C@@H]2CCCO2)S[C@@H]2CS(=O)(=O)C[C@@H]21 254626482 KTIFXPMXSGDWAX-AEGPPILISA-N 430.935 2.129 30 10 IEEE N#Cc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 460283852 UULHOQGKLPGFSO-FQEVSTJZSA-N 427.526 2.295 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)CCc3ccccc3Br)CC2)n1 462077611 XZEYQDLAGCJWMB-UHFFFAOYSA-N 435.347 2.410 30 10 IEEE C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)n1cnc(C#N)n1 467250987 NIVXXOHTBYGYJN-IIBYNOLFSA-N 446.486 2.162 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 471034824 WESFNZCOWQRCRC-QFIPXVFZSA-N 436.537 2.483 30 10 IEEE CCNC(=O)N1CC[C@H](NC(=O)COc2c(Br)cc(C#N)cc2OCC)C1 472162597 VSZQLUVHCORUFD-ZDUSSCGKSA-N 439.310 2.018 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(-c2ccccc2C#N)c1=O 478840462 ANQKNRVPKMOOPL-KRWDZBQOSA-N 445.500 2.171 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 479885575 KGNGNDXJWOJNAL-KRWDZBQOSA-N 426.542 2.137 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)c(OC)c1 480400361 GXXXIORFFIIBCK-MWTRTKDXSA-N 432.517 2.432 30 10 IEEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482506241 ISVHTPNNSJFNHZ-CVAIRZPRSA-N 447.557 2.195 30 10 IEEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@@H]2CCCO2)c1 497572650 DRRSBCAHHHUWKT-FQEVSTJZSA-N 445.544 2.487 30 10 IEEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](COc3ccccc3)OC(C)(C)C2)n1 501883306 CDKNNHMVBODLDG-SFHVURJKSA-N 425.489 2.359 30 10 IEEE CC(C)N1C(=O)C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 503625069 DXOHZUPIKVLOOQ-FOIQADDNSA-N 434.899 2.362 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 508465497 QICHPAQWWOKPNV-QGZVFWFLSA-N 447.543 2.217 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)CC1 522309904 MXSNPDUQHNTHDK-HXUWFJFHSA-N 436.000 2.352 30 10 IEEE COc1ccc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1OC 524354501 TZOGIFBOGTVOHO-UHFFFAOYSA-N 425.489 2.053 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N3CCC(C)CC3)cc21 526842618 UIVSHPWKQAZOQH-BEIWTESXSA-N 432.542 2.176 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@H]3CO)cc2C1=O 535631608 NUPBLGCDPOLISP-SIKLNZKXSA-N 433.508 2.081 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC1(C#N)CCCC1 546090620 KTAQHKXWJZCGGT-UHFFFAOYSA-N 425.576 2.493 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)c1 590051308 GLJHSBXEEPIVCL-UHFFFAOYSA-N 445.544 2.428 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCCO1 603798530 MRBRBHDHPZGFEC-MRXNPFEDSA-N 445.972 2.162 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cn2)C[C@@H](C)O1 608983828 KQFCGCAFDZHWIN-QZTJIDSGSA-N 449.559 2.430 30 10 IEEE Cc1cc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n(-c2ccccc2C)n1 611188640 DQTPFQLMLYTVCZ-UHFFFAOYSA-N 443.511 2.480 30 10 IEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)C)C[C@@H]2C)CC1 619848594 JMHZAIHSWXNJGP-PGRDOPGGSA-N 435.576 2.462 30 10 IEEE C#CCOc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 731112795 UUTNGVRKGUMSED-UHFFFAOYSA-N 435.527 2.103 30 10 IEEE N#C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccc(Br)cc1 733254636 ZPRWOWIVZVBPLK-SJORKVTESA-N 426.274 2.250 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 741912726 SGIVKSKQHFHHEO-VXKWHMMOSA-N 446.503 2.435 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)c2)c1 748095805 OKOHFBNUCNGEEX-FQEVSTJZSA-N 437.569 2.206 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1nc(C)sc1C 752488219 RHGVWNMXZAZTNI-UHFFFAOYSA-N 426.454 2.297 30 10 IEEE C[C@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 752608013 CIVZJVDKZCWQPY-JKSUJKDBSA-N 435.546 2.315 30 10 IEEE Cc1ccc(C)c(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 766437598 FABSLRNQHJMHNT-UHFFFAOYSA-N 440.569 2.471 30 10 IEEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c1 766837601 MNMABQHAJNZFQL-SFHVURJKSA-N 427.482 2.412 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783957360 JYWDHGJNQBOYIM-UHFFFAOYSA-N 436.562 2.299 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)n1 788888818 DKKBPYSAUNKBGY-HSZRJFAPSA-N 439.560 2.056 30 10 IEEE C=CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 790285019 MLJFSRAXQONYGB-GOSISDBHSA-N 432.546 2.381 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 796729921 ZAHASULQUMBQSA-UHFFFAOYSA-N 440.930 2.412 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 800167627 OXTPCQZLHBBGCW-AEFFLSMTSA-N 437.566 2.402 30 10 IEEE CC1(C)[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1Oc1ccccc1 805324002 XLGBTRWFLJGFPG-RBUKOAKNSA-N 427.526 2.478 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCO2)n1 812307719 YAKKIFRXROOZJA-FQEVSTJZSA-N 435.532 2.310 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@@H](OCC)[C@@H]3n3cccn3)ccc2c1=O 819391429 JMSSGAVFQAUEMQ-KZNAEPCWSA-N 425.514 2.216 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856615230 FAUOJCBNYSSTRC-LSDHHAIUSA-N 443.301 2.077 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=S)Nc1ccccc1C#N 915995248 MYXVZWRLCXOHMS-UHFFFAOYSA-N 432.527 2.397 30 10 IEEE COc1ccccc1[C@H](O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 916711960 VIEZLPRKKMANKU-DXXYHEOZSA-N 446.529 2.363 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)cc1OC 1084143994 AWMVQHIIUKITDG-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)c1O 1084244767 PENPTFZFRZDTNG-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE C#CCOc1ccc(CNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1141020375 GRCPYVPWUKDCGL-FQEVSTJZSA-N 431.533 2.370 30 10 IEEE N#C[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1144003287 IHWMKDKMJYHATH-HZPDHXFCSA-N 428.297 2.014 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)CC1 1148405865 JLEJWFDDDRYVBC-HXUWFJFHSA-N 446.594 2.227 30 10 IEEE CN1C[C@@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)CC1=O 1267515849 UONUDDMFOHLWCF-GJZGRUSLSA-N 440.422 2.464 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286398239 HTYWEXZDAWKVMF-HRCADAONSA-N 428.505 2.192 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)C1CC1 1286404422 STXZYDZKNIALMU-UHFFFAOYSA-N 444.308 2.446 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCC[C@@H](C)C2)CC1 1286489803 CAYSHUIJYGVXCF-LJQANCHMSA-N 449.603 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2sccc2C)CC1 1286490234 IWSOJUQJYUWWMO-UHFFFAOYSA-N 435.557 2.314 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1286701074 VBTGMMHXBWAVID-OPAMFIHVSA-N 448.568 2.254 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286711820 UBJYIHVTZYJHAC-UHFFFAOYSA-N 448.593 2.101 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286764767 ZJMDBGBHHDSURG-QZTJIDSGSA-N 449.577 2.034 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCc4ncc(Br)n4C3)CC2=O)cc1 1289710684 APPGCMCSDFBHNU-UONOGXRCSA-N 428.290 2.001 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1293808778 HFNPLFVCROQVPB-QHCPKHFHSA-N 433.516 2.024 30 10 IEEE N#CCn1c(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc2ccccc21 1299733682 CDUIHSIXJFWWPQ-UHFFFAOYSA-N 436.537 2.325 30 10 IEEE C#CCCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300424815 MFIGRSUBRMISLP-ZACQAIPSSA-N 430.553 2.129 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1300718481 POQLULAQNBIHFC-UHFFFAOYSA-N 443.511 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](OCC)C(C)C)CC1 1300719558 GVMQZOPLKNPTSF-HXUWFJFHSA-N 439.564 2.152 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1300924386 APCNLBOVOZIEFK-QFIPXVFZSA-N 448.589 2.426 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301054559 SBCHFFJXTBZLDI-GOSISDBHSA-N 426.496 2.296 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C)=C(Br)C1 1301506387 KKCCNHRTTAEJIE-UHFFFAOYSA-N 431.338 2.445 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1CC2(CCOCC2)C1 1301799325 DCKUJVNEZBQPGW-UHFFFAOYSA-N 430.553 2.087 30 10 IEEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1305916389 DTPNWHLPFSMRIW-MRXNPFEDSA-N 431.562 2.043 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2)[C@@H]1CCCO1 1309422676 YXPDHFYLZCEWAO-HIFRSBDPSA-N 427.320 2.183 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1309633325 HSWZVLSFWUQOBY-ZDUSSCGKSA-N 433.456 2.334 30 10 IEEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)C1CCN(C)CC1 1311629183 UIZNIZVBSDQPEX-LJQANCHMSA-N 446.617 2.346 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1312416025 UWEXZAJCCIYJBH-HXUWFJFHSA-N 426.542 2.459 30 10 IEEE CN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314744502 LVXHNMPUBMQXAC-HYHOCUEZSA-N 436.516 2.335 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1315029252 SQVIVZCROBDGHN-GOSISDBHSA-N 432.532 2.238 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1315232093 QRVPWDJQGUIVST-MOPGFXCFSA-N 425.537 2.394 30 10 IEEE COc1ccc(OC)c(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)c1 1315516548 DODDHIOIYLXVIO-YJBOKZPZSA-N 426.521 2.475 30 10 IEEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N)OC 1315795329 JWQBXVSVDUFHCK-GXTWGEPZSA-N 425.331 2.446 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1316176520 SULSBVOGQMTHAS-PXNSSMCTSA-N 432.569 2.391 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1316264772 SXJFKZZEDDHIKC-SFHVURJKSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1358871737 JNXHOKIGSCPOPC-STQMWFEESA-N 443.932 2.218 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1358962103 KKNGEQYIGAIYOH-UYAOXDASSA-N 444.557 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1358984606 BSZAHRYVENKXME-QGZVFWFLSA-N 449.490 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccncc1Cl 1358989112 PYNVZDXFTYKASS-UHFFFAOYSA-N 443.902 2.480 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1359110759 AEARYUTZHPWVNZ-NRFANRHFSA-N 445.593 2.119 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1359187610 RGSKRWJCZNDTCX-UHFFFAOYSA-N 449.559 2.463 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCSCC1 1359279415 FNLJHUSZIQYZTA-UHFFFAOYSA-N 431.562 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1359336342 MMQMMIAMZKYOAS-IPMKNSEASA-N 438.594 2.373 30 10 IEEE COc1ccc(CN2C[C@@H](C(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)CC2=O)cc1 1436411636 FKINEFUMQUKWNT-KRWDZBQOSA-N 430.468 2.443 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)C2)nc1 1456060007 HWTOPDHVWYMEAX-GOSISDBHSA-N 445.520 2.254 30 10 IEEE C=CCOc1ccc(CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1467890670 WJUVIELGQXUHER-SFHVURJKSA-N 438.546 2.292 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc43)C2)nc1 1470280735 ORAJGVXSZOTEIV-IAGOWNOFSA-N 425.514 2.110 30 10 IEEE C[C@@H](NC(=O)CN(CCC#N)CCN1CCOCC1)c1ccc(OC(F)(F)F)cc1 1473202889 ASUNLMQYDVJMSU-MRXNPFEDSA-N 428.455 2.310 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1473615301 ZMKPPLPIRGSQML-LIRRHRJNSA-N 426.439 2.331 30 10 IEEE CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1500458399 MAWCIJVLQISRGP-DLBZAZTESA-N 428.541 2.179 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1C 1502322848 GIINXOOWMIEJTL-LJQANCHMSA-N 437.592 2.458 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(C(N)=O)CCOCC1 1503476043 CWAIKTUAWRRKSE-UHFFFAOYSA-N 445.527 2.054 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCn1c(O)nc2ccccc21 1504888279 NFENYSNAHATXKP-KRWDZBQOSA-N 439.520 2.294 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)cc1 1505120228 BOFPXVHOBZQBRJ-GOSISDBHSA-N 429.546 2.364 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507623657 VFMNNZUSVXZXPR-YJBOKZPZSA-N 447.536 2.196 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnccn1 1507806778 JJWCQFPKSJCALG-XEYPJELSSA-N 428.537 2.410 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1507812656 OELCESUWYUAIAR-RDTXWAMCSA-N 427.596 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1508141361 VJJKKLZZAZKKOC-QGZVFWFLSA-N 442.520 2.469 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1513355162 FUVDKYJCENZCGA-FOIQADDNSA-N 434.516 2.182 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(OC)c1OC 1513922416 APPXTWPAJHHLQF-MRXNPFEDSA-N 448.531 2.283 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1515496999 OVSZNIOHVQMVPK-UHFFFAOYSA-N 448.531 2.361 30 10 IEEE CN(CC(F)(F)F)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C#N)o1 1517089937 ZUZCQKDPGSNMCQ-UHFFFAOYSA-N 429.366 2.432 30 10 IEEE COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1518129417 DUQZUJJPUKODSL-ZPHPHTNESA-N 444.442 2.326 30 10 IEEE COCCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1519395700 RKLAPUFTAPLJRQ-UHFFFAOYSA-N 427.509 2.109 30 10 IEEE COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3C[C@@H]3C#N)C2=O)cc(OC)c1OC 1532471939 IBRGYNYCKUEGGL-CWJRHKRGSA-N 431.470 2.025 30 10 IEEE N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(I)c1 1535353051 LBGONQTYLBHJMG-RYUDHWBXSA-N 437.237 2.277 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC=C 1538991765 DFVAQCKPCDGMRY-ZDUSSCGKSA-N 432.322 2.476 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1539202403 HWJIJXRKSPBXIX-KRWDZBQOSA-N 446.573 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1539291744 XEJITJHKNJGCAM-OAQYLSRUSA-N 447.461 2.329 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1CC 1539363916 XZLIXFVBBLETRC-UHFFFAOYSA-N 445.531 2.355 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@]2(O)CCC[C@@H]2C)n1 1539423757 FMESXBCYHHZXOB-YADARESESA-N 449.559 2.374 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ncnn2C(C)(C)C)CC1 1539481199 IPAHUJUHZJNGSI-UHFFFAOYSA-N 438.580 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2OCC)CC1 1539489208 IODFOOUUGVSMQZ-UHFFFAOYSA-N 425.533 2.227 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540036452 NGFNVSNGGRUBHD-HXUWFJFHSA-N 437.548 2.358 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 1540891894 BBVSSXRBBWXBTD-CHWSQXEVSA-N 440.513 2.215 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540894438 XUWHWXRFDOYIJL-AZUAARDMSA-N 430.574 2.393 30 10 IEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1540910597 LFSHPKNASURDOY-UHFFFAOYSA-N 425.356 2.281 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1554250655 HIEPBRMZPQLGOG-UHFFFAOYSA-N 432.410 2.416 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1 1554478238 BVJMVRMSNOMTQF-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE CN1C[C@@H](C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1565662854 ZKNRIGPHYXLGNH-IBGZPJMESA-N 442.516 2.006 30 10 IEEE C=CCN(C(=O)CN1CCN(c2ccccn2)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1567605796 JROJQTBXQGWJKR-QFIPXVFZSA-N 436.556 2.393 30 10 IEEE N#C[C@@H]1CN(C(=O)Cc2cc(Br)cc(I)c2)CCO1 1584956040 HICKBAJQDXWNIU-GFCCVEGCSA-N 435.059 2.347 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1585297280 RKIQETYTKFVRLO-PBFPPRLYSA-N 446.548 2.445 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2cc(Br)ccc2Br)C1=O 1586700769 GPNRSWQTSGKXAW-UHFFFAOYSA-N 446.051 2.094 30 10 IEEE C#CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cc1 1587714085 NZZCJEAZVMUFAV-UHFFFAOYSA-N 447.944 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCC[C@H]1C 1588109597 JOQWQGYTXUEVIY-HXUWFJFHSA-N 443.559 2.258 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(c2ccccc2F)C1 1588628006 CCQAZKKVDPACJH-GOSISDBHSA-N 435.507 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(F)ccc2F)CC1 1588924312 ZKMMVHPFBVYJHS-UHFFFAOYSA-N 437.454 2.027 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC2CCOCC2)CC1 1588954960 NEFZUTKEWBPOAW-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1589163868 NUXCBCGDLAHMGL-QGZVFWFLSA-N 430.314 2.105 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1589198004 NTYXLNCBYPTDGP-JOCHJYFZSA-N 438.557 2.317 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@H]2C1 1593752203 DPDQDRVSKNVFOU-QGZVFWFLSA-N 433.503 2.261 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCN(CC)CC2)CC1 1594228893 CKUGKOUOYSHFTG-FQEVSTJZSA-N 429.613 2.049 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1595418358 JRVGFUAWVLJIKF-UHFFFAOYSA-N 438.557 2.269 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 1595476388 KTBLSRMSLAWPDR-GOSISDBHSA-N 440.548 2.006 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1595507171 YKUWZYYYMOBKRY-GXZWQRSESA-N 446.939 2.068 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)=C(C)C1 1595759541 GCSHVPQCXKYQPJ-UHFFFAOYSA-N 430.534 2.073 30 10 IEEE COC(=O)[C@H](Cc1ccccc1Br)NC(=O)C#Cc1ccc2c(c1)OCO2 1603015324 HFCJCOPNADTYBI-INIZCTEOSA-N 430.254 2.430 30 10 IEEE CC(C)N1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1608101298 DJFJJYMTHNDNLJ-LSDHQDQOSA-N 441.580 2.383 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1613529463 HFEIYGGEMLOBPZ-MWTRTKDXSA-N 440.548 2.244 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1616923983 LQCDCHYXXJHJLT-FQEVSTJZSA-N 426.569 2.200 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1617638932 QPHXZNIVGSPZSV-GPMSIDNRSA-N 446.502 2.482 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)nn(-c2ccccc2)c1N 1625336390 BIGSKYXSIYRIAF-OAHLLOKOSA-N 448.449 2.176 30 10 IEEE C[C@@H](CN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1nn[nH]n1 1633482305 AHMRDFPDYKPHSY-SUMWQHHRSA-N 425.493 2.168 30 10 IEEE C[C@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1635421749 XDEJKWBYXWRCMT-RYQLBKOJSA-N 431.537 2.220 30 10 IEEE CCOC(=O)C1=CC[C@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1636924937 NMXXRWQFBPGIJW-IBGZPJMESA-N 434.500 2.432 30 10 IEEE CNCCCc1[nH]nc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1C#N 1641127957 SURRJJFXYSEABT-UHFFFAOYSA-N 442.321 2.142 30 10 IEEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)c1 1641546274 KSONZCPFKRGPRW-UHFFFAOYSA-N 434.905 2.402 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(Cc3ccc(OC)cc3)C(=O)C2)c1 1642611968 ZWZJNHGRPNBXFZ-UHFFFAOYSA-N 434.496 2.059 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 1645229644 BIRRDPRMSGBKPB-UHFFFAOYSA-N 431.470 2.467 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c1 1651629530 SNMQCLHCWCBDSK-DEOSSOPVSA-N 430.464 2.272 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1654931793 ZNFNYWGEZHWUSE-UHFFFAOYSA-N 435.509 2.353 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(N3CC[C@H](O)C3)CC2)n(Cc2ccccc2)c1C 1655127107 HVTIEVUBSJUNEQ-QFIPXVFZSA-N 435.572 2.494 30 10 IEEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1675700642 DWKVHCYCWMKGOI-MRXNPFEDSA-N 441.557 2.496 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1682560184 OWMZLFYFWJUQQF-UHFFFAOYSA-N 442.541 2.102 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1 1684247191 LLXYRWPCMDQLCF-CQSZACIVSA-N 445.449 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)F 1689846415 JKYZCUIUBFTFDR-ZDUSSCGKSA-N 426.493 2.325 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1689849335 KLCMICKVAJHWOK-GDBMZVCRSA-N 437.591 2.326 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC(C)C)C1 1689887002 MMMSVNDJVNIYOU-KRWDZBQOSA-N 429.521 2.440 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(N(C)C)CCSC1 1690010101 VYUDZSYHWQTAGY-QHCPKHFHSA-N 437.569 2.226 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1690088817 XMYLSZSCLSEADH-IERDGZPVSA-N 434.537 2.120 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690180909 MUOXBMAQDDEKSL-IBGZPJMESA-N 432.615 2.443 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1690228473 YBWVPLXSIJDUNZ-OAHLLOKOSA-N 434.342 2.197 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690271642 XRVHPJJQAHNDSG-JOCHJYFZSA-N 448.589 2.426 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1692666244 WPNRHAYDJXWJNY-APWZRJJASA-N 442.589 2.349 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)OC)C2)c1=O 1695789954 ANQYQIQSHHMRNL-LJQANCHMSA-N 432.484 2.046 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1696058732 AFZQQFGMYJUDSO-UNMCSNQZSA-N 430.553 2.106 30 10 IEEE CN(CCCc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1696797323 RBKPCCUPODMUJP-XMMPIXPASA-N 448.527 2.344 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)CC#N)c1 1697017646 DWNRPBYMCQEDFN-INIZCTEOSA-N 439.545 2.343 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705517328 TUIQWODZHYFPIA-JKSUJKDBSA-N 447.527 2.057 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705566207 MIHCQFYSFMOGKR-HNNXBMFYSA-N 439.463 2.244 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCN(C)C1 1705605955 IBUOKMZCHRCBBF-IBGZPJMESA-N 436.329 2.373 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]1c1ccccc1 1705629028 VNAVAFCPXGLUKG-AABGKKOBSA-N 428.558 2.070 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCN2CCC)CC1 1705643476 HMBYCGRWGUIQQM-FKBYEOEOSA-N 444.624 2.022 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1705699115 CNPMWRVZMVINCY-MKXGPGLRSA-N 438.594 2.024 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1705819765 TYXUKTNWMSALSH-ZWKOTPCHSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705826308 ATXNFDGLYPXHJH-SFHVURJKSA-N 441.492 2.002 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccccc1F 1705928574 ROXSNZYDKPTUQS-INIZCTEOSA-N 449.552 2.451 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)C[C@@H]1C 1710218714 IDLXVTWCIGNMPT-WFXMLNOXSA-N 442.564 2.309 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1722282223 XZHNNGUAFUCWCU-GCJKJVERSA-N 446.573 2.003 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1722335915 HOJVXWQTWVTHPD-UHFFFAOYSA-N 449.559 2.439 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1 1722345961 TULDOZJNANPXPN-AWEZNQCLSA-N 427.896 2.294 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccncc1Cl 1722350061 KKJGKOLOAHXCCL-UHFFFAOYSA-N 429.937 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(C)=O)c1 1722418882 GOKQXJWYCGVENM-UHFFFAOYSA-N 447.499 2.018 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2CCCN2CCN(c3ccccc3)CC2)CC1 1722431450 LONXDYSEXHZWPI-UHFFFAOYSA-N 435.620 2.369 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)C(C)C)CC1 1722449359 PZXTZHNCDBBNKV-DEOSSOPVSA-N 441.551 2.381 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722626047 HDTSMGRKCDWMCO-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1722635087 YHFOFBXUOSYJNL-UHFFFAOYSA-N 435.536 2.192 30 10 IEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1722775485 KVJLDBIEGAJLTE-LAUBAEHRSA-N 439.564 2.293 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1722868727 LIZAMSCOGUMIRL-GHTZIAJQSA-N 440.548 2.499 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1723784196 CIYMFXZUBLCMKR-INIZCTEOSA-N 426.521 2.124 30 10 IEEE C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1723816178 FKOCWYZVKHPQMZ-AWEZNQCLSA-N 448.369 2.496 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1724011063 NREZXROOOMJARI-FXAWDEMLSA-N 448.618 2.342 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1728802199 HABPJIWZXHRIFV-ZYSHUDEJSA-N 425.480 2.484 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1728957842 BKQBSZURYBJPOX-KRWDZBQOSA-N 447.561 2.140 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N(C)C 1729409396 HWFFCZXDFFTFDE-UHFFFAOYSA-N 444.586 2.330 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCSCCCO)CCO1 1731190944 WCORHVGVYOPVRM-KRWDZBQOSA-N 440.529 2.444 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCN(C3CC3)C2)c1 1740565596 XUDNTEFWXZXJHM-LJQANCHMSA-N 436.560 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1740629435 NIVJQNKANAJBGC-IBGZPJMESA-N 440.498 2.168 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1740671245 BSQXQMSYDJYTEM-KRWDZBQOSA-N 428.558 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCCO[C@@H](C)C2)CC1 1740702734 WRWPHOZBFYJWCX-IBGZPJMESA-N 444.624 2.042 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1740770267 MHLHWTSBINOKJD-UHFFFAOYSA-N 437.552 2.486 30 10 IEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740864837 FUYXDLFFXBFHLV-UHFFFAOYSA-N 440.552 2.017 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1740995228 DWWLXBCEJUQQEL-HXUWFJFHSA-N 445.589 2.365 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C 1746445891 GNXHHWGHSDVMTK-IEBWSBKVSA-N 442.589 2.172 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCS(=O)(=O)c1ccccc1 1748685330 YHRTWOZZAYHYMZ-SFHVURJKSA-N 440.573 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1748685579 BEWPXVQVZMYGCH-HNNXBMFYSA-N 429.912 2.143 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1748715235 OMCSDXIDWFROFH-RBUKOAKNSA-N 437.610 2.431 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1OC 1748766460 QMHPBGSFXBVCEN-UHFFFAOYSA-N 436.472 2.069 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1748787837 JPXZOXIVTOMFSD-QGZVFWFLSA-N 432.569 2.234 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748802062 KOUJWRHMJVRTMN-WOJBJXKFSA-N 447.580 2.470 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748809640 VGIBFNUBQVMDMR-SFHVURJKSA-N 432.546 2.290 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1748818909 HNDCCJPMUJPQAW-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CCC(C)C 1748835886 LYFOYPQREREXIY-HSZRJFAPSA-N 432.532 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCS(=O)(=O)c1ccccc1 1748890390 OXGSDMXPXMHBLI-FQEVSTJZSA-N 440.569 2.499 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N2CCOCC2)CC1 1748917276 STGFBYRATUKLRW-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3ncccc3c2)CC1 1749018864 HCQVZCIUAPOKKE-UHFFFAOYSA-N 432.528 2.377 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749230178 UNNACXRDHFXIBB-GOSISDBHSA-N 441.598 2.021 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)CC)CC1 1749285750 VYXDDJOMYQVUPY-UHFFFAOYSA-N 430.940 2.496 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1749445857 ZOUWEPUPQBFISO-HNNXBMFYSA-N 437.541 2.183 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)c1 1750075458 FLOFPVOAUFGCOC-SFHVURJKSA-N 448.579 2.414 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CC1 1750385511 PUAKZWPUYMFVJB-KRWDZBQOSA-N 426.496 2.481 30 10 IEEE CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1750571202 LOXYXUVOZYCXAY-UHFFFAOYSA-N 438.580 2.232 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1760205916 MXQHIGRHESMKKU-QHAWAJNXSA-N 445.633 2.011 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)OC)CC1 1760266669 IGKVAUWRQBSJOO-QGZVFWFLSA-N 447.543 2.336 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC=C)cc1 1760288586 GSMPLMISKQADPW-VGOFRKELSA-N 443.573 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)(F)C1 1760316695 VUSVCHRNDDIXGU-IMJJTQAJSA-N 447.552 2.351 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1760355624 QHGOCQVPXOYDBQ-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C 1760412881 UACUSXRKGMKPNO-IKGGRYGDSA-N 425.599 2.448 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760452529 NEYNFJVHANAVRO-LJQANCHMSA-N 440.548 2.314 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nc2cc(OC)ccc2n1C 1760502973 TWHBNXUPHHMPBM-UHFFFAOYSA-N 436.520 2.261 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(C)(C)C)CC1 1760520055 YQYAOWYQMIZUIV-UHFFFAOYSA-N 440.548 2.287 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1760530582 VWHJVNQLCQPKHE-RBUKOAKNSA-N 425.533 2.487 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCS2(=O)=O)C1 1760545568 WQTWYJMAYARMKR-ZWKOTPCHSA-N 431.562 2.397 30 10 IEEE CCN(CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CC1 1765254755 CEZPKVJJYBPOTJ-SFHVURJKSA-N 437.596 2.338 30 10 IEEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N(C)C[C@H](C)C#N)CC1 1765570107 RXECBLYOBMKBFM-QGZVFWFLSA-N 430.626 2.257 30 10 IEEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)c(OC)c1OC 1768641756 CUWGSCYNMIFMNR-OAHLLOKOSA-N 442.520 2.184 30 10 IEEE COc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 1770294974 WEUADCGNELKQSA-IAGOWNOFSA-N 447.561 2.396 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(C)c1 1771305143 ULPWEFIXKSOHOB-IHPCNDPISA-N 427.505 2.118 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 1852841097 LZWNNTRULCSWIJ-CYBMUJFWSA-N 430.983 2.219 30 10 IEEE C=CCN(Cc1cnnn1C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1853439292 OQHCSMHKQVXWHB-UHFFFAOYSA-N 431.562 2.047 30 10 IEEE COc1cc(C)c(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1C 1857293409 RTNZIXULMSMBHO-QGZVFWFLSA-N 433.530 2.002 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(N(C)C)cc2)cc1 1862691178 IWELREUAGGBNDM-NRFANRHFSA-N 437.496 2.476 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2cc(F)ccc2F)CC1 1866869339 ZVTHOWNJOYWYPC-ZWKOTPCHSA-N 448.495 2.419 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541633 GVJGBMRUXAYCQI-UHFFFAOYSA-N 427.553 2.018 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)nc(Nc2ccc(O)cc2)[nH]1 1871720777 JPXAGCSJLUCHSZ-UHFFFAOYSA-N 441.517 2.028 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874306578 FFYVGKQPBSBFRN-FSJBWODESA-N 439.497 2.230 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874350627 VZRJMDXKBSEMLC-SRZZPIQSSA-N 426.458 2.245 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCC(N)=O)cc1 1874375226 MAIDQEBHTUKJRC-FOKLQQMPSA-N 427.461 2.254 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3noc4ccc(Cl)cc34)CC2)CC1 1889543224 PUYIQESTKSAGTG-UHFFFAOYSA-N 444.963 2.282 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C)cc3[N+](=O)[O-])CC2)CC1 1890179791 GURWNIPZWBUNGD-UHFFFAOYSA-N 428.533 2.165 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 1890265174 YNOZLTRJUUKHPI-UHFFFAOYSA-N 428.533 2.069 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)C#CC1(S(C)(=O)=O)CC1 1902441172 HMRRYIIWCGAXLB-GOSISDBHSA-N 434.558 2.161 30 10 IEEE CN(CCCB1OC(C)(C)C(C)(C)O1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1999363353 FWEJFAUFQXSNMU-UHFFFAOYSA-N 425.379 2.480 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2011682394 VQCFJSVCTBIPHR-JKSUJKDBSA-N 439.553 2.192 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2060636811 BVHKISAJQSQIOA-UHFFFAOYSA-N 432.326 2.296 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCC12CC(C#N)(CO1)C2 2060723245 KLXYPFYUJFFIFB-YTZBPGPESA-N 443.500 2.202 30 10 IEEE CN1CCC(C#N)(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2060822560 WCEOCOPENNCDOO-DEOSSOPVSA-N 441.576 2.260 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)O 2131457123 AAZJOMIJIGZNJB-QGZVFWFLSA-N 448.369 2.266 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2224099373 GDBGCQUDEJBIQJ-RKTXRCNFSA-N 431.342 2.473 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@H](Cc1ccccc1Br)C(=O)O 2229114539 RTZJBPUIBNVGHA-CQSZACIVSA-N 425.279 2.089 30 10 IEEE C#CC[C@@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(=O)O 2237382892 FYFIJHSLZMAVTP-CABCVRRESA-N 439.306 2.478 30 10 IEEE C[C@H](CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243393857 ZLTSILZITWDNEE-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255700578 FKCCMOPVZJFDHQ-UHFFFAOYSA-N 431.342 2.443 30 10 IEEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255805455 PZRTUTAXBXSUCK-UHFFFAOYSA-N 435.334 2.217 30 10 IEEE CC1(C)OB(c2cccc(CS(=O)(=O)N(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2256903535 FCECWDIEQCUCCG-UHFFFAOYSA-N 445.346 2.402 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2257485515 IVJZPXYTWJJNAU-UHFFFAOYSA-N 432.301 2.269 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267003463 PKRKLWDPMLPPDY-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267010913 XMMYQLJBBCQRKS-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267128463 QZNAUEIRTDYYCG-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267146029 KHQHHZDHLDOFHV-ZBFHGGJFSA-N 448.373 2.426 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267181181 PEPAEIQXBBZCOG-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2267182689 IEYFVBCZNWPRPR-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE Cn1cc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267187210 UTCFMEKFZGJXQM-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2267525883 KHNNMSBIVDCPHC-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268644931 NRCIPGQXGLDFMO-HUUCEWRRSA-N 447.341 2.344 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268645734 QMNJJFPQVPJNQQ-LSDHHAIUSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268710406 HJXUSFOQWZKJQL-GOSISDBHSA-N 446.353 2.104 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2269713209 NLJCPZNDRJPVLG-LESCRADOSA-N 443.353 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CCn2cnc(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)c2C1 2271468628 JTKDHFPUMWQSRA-UHFFFAOYSA-N 444.341 2.389 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322298742 ATGSAIFGRPFIPR-XJKSGUPXSA-N 437.321 2.472 30 10 IEEE CCOc1cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)cc([N+](=O)[O-])c1OC 2323437333 UIVSUNJNORQPOR-UHFFFAOYSA-N 436.402 2.161 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337289768 MXYXDTCHQBGVJU-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)n1C 2337325231 FDFQRXYVVZUFLR-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)c1O 21319143 XXQJTYJMCVJOGT-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)NO 56870901 YBHTVSIBHATTHP-UXHICEINSA-N 443.500 2.266 30 10 IEEE in-vitro COCCC/N=C(/NN)Nc1cc(I)ccc1Br 385451714 ZIOJXDZGAHVPBN-UHFFFAOYSA-N 427.084 2.321 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)CC2)cc1 435819035 RPQCLGUWRSIXFQ-UHFFFAOYSA-N 440.481 2.031 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)C2)n(C)n1 446938749 XXATVECDNIWCLW-JOCHJYFZSA-N 435.576 2.487 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CC1 463028590 KTALIGCQCPIKMS-UHFFFAOYSA-N 440.935 2.475 30 10 IEEE CN(C)C(=O)CCN1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 471592838 HRACRACPFLTQJF-UHFFFAOYSA-N 426.546 2.233 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)s1 477630113 AALQXGAGCRPWJY-UHFFFAOYSA-N 439.562 2.305 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(Br)c1 480913337 XDTUDWLHDJGJQH-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 481134465 FMJQQHCJSZXLFI-HNNXBMFYSA-N 432.933 2.227 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccccc1C#N 481979374 IBZUGBWLJDQSQP-UHFFFAOYSA-N 430.514 2.432 30 10 IEEE Cc1cc(N2CC[C@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)ccc1Br 489652413 RAJAIRQANQHAGE-KRWDZBQOSA-N 449.330 2.416 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 504094126 SRTBTGVIELANFM-FDDCHVKYSA-N 429.517 2.473 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(CCCOc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506591205 GTAMUDDSFIWIPS-JOCHJYFZSA-N 436.560 2.182 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508834314 STUCWHKYVGHYKE-KSFYIVLOSA-N 428.489 2.068 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N(C)CCOCc1ccc(C#N)cc1)C2=O 517053885 VTUNHGCOAXNLQI-IAGOWNOFSA-N 426.517 2.280 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 549148743 LQDKXIUIJQPIGW-UHFFFAOYSA-N 429.528 2.123 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@@H]2C1 549603762 KEQHPOCNHXAVGI-LJQANCHMSA-N 444.605 2.446 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1Cc1ccccc1 583768613 GHZCMMOSRJLFLW-UHFFFAOYSA-N 441.512 2.486 30 10 IEEE C=CCOc1ccc(N[C@@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1-n1cnnn1 586323087 VLRVAHJSGHCWFF-AWEZNQCLSA-N 434.456 2.266 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609029543 JGYSNCNHDFCBSR-HNAYVOBHSA-N 440.573 2.323 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cccc4cnccc34)c2=O)cn1 679925269 YUYWMRVOQCTKFC-UHFFFAOYSA-N 443.532 2.392 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cs1 732899952 XRCFUTLMMGXYKR-UHFFFAOYSA-N 436.515 2.299 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC2(c3cccc(C#N)c3)CC2)C1=O 749014930 CSKGCSOTUCTIEI-HSZRJFAPSA-N 432.480 2.448 30 10 IEEE C#CCNC(=O)c1cccc(-c2noc(CCOC3CN(C(=O)OC(C)(C)C)C3)n2)c1 761797552 JTDYSHPPFMIVAX-UHFFFAOYSA-N 426.473 2.278 30 10 IEEE COc1ccc(Cn2nccc2NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)c1OC 779458202 BRFKBXZCYSBYJL-KRWDZBQOSA-N 440.504 2.161 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 782701812 WZPCTGSZZIERCE-CABCVRRESA-N 427.432 2.001 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)cc3F)c2C)nn1 786556614 IBZUBSNXGDAZCK-HNNXBMFYSA-N 440.410 2.287 30 10 IEEE COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 786758730 OABSEQYXZMTGSQ-QZAQEVDKSA-N 437.294 2.344 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(C)(C)C(F)(F)F)C1=O 800803068 MOJMQLIDZWPNPN-LBPRGKRZSA-N 430.452 2.442 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cccc(I)c1 916178436 VYAKCZRNKVGRLF-UHFFFAOYSA-N 426.235 2.423 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc(O)c2)n1N 1083970620 WUIZCAVKWREAFC-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE CCOC(=O)CN1C(=O)C(=Nn2c(S)nnc2COc2ccccc2)c2ccccc21 1084022891 VHDHTTKFENXKRN-UHFFFAOYSA-N 437.481 2.308 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccn(C)n3)on2)cc1 1125203680 ZQWVEIBHOHBRQD-NKFKGCMQSA-N 428.474 2.140 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1136603742 JIAQVHQIYYMJSS-QGZVFWFLSA-N 444.582 2.198 30 10 IEEE C=CCN1CCC(NC(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)CC1 1226843708 SGTZHOBAMBEYBN-BISSLNBESA-N 435.565 2.189 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC1 1253868288 VBNAQEQDDCSRAT-WOJBJXKFSA-N 445.589 2.219 30 10 IEEE COC(=O)[C@@H](CC(C)(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1277162760 IETWNKPMHRRVEY-GOSISDBHSA-N 435.546 2.053 30 10 IEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1286344842 KIXZVQWOMWUFNL-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1286358800 PIOQCNDVTQRNMM-KRWDZBQOSA-N 425.533 2.480 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286394055 UACGRWBQHPCOMU-VQTJNVASSA-N 446.548 2.384 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286612107 SPNYHOFMQODING-LJQANCHMSA-N 432.569 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1287053866 CBXGMLAKPXWCAD-OAHLLOKOSA-N 428.493 2.352 30 10 IEEE CC(C)OCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1288385915 UGKOGLSETWYLGL-JOCHJYFZSA-N 439.495 2.449 30 10 IEEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccccc1 1288601578 DZCZXJZPTPTIDJ-LZJOCLMNSA-N 446.577 2.486 30 10 IEEE C[C@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C(=O)OC(C)(C)C)CC3=O)c(C#N)cc2C1 1289758097 USXOPGSRUNCIBN-GJZGRUSLSA-N 441.532 2.484 30 10 IEEE COc1cc(I)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1298432672 GRCBNAMYYCMMLG-NXVVXOECSA-N 441.225 2.155 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCOCC1 1300275915 CFQHPLGCJXLKAB-KRWDZBQOSA-N 443.548 2.151 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc([C@H](C)O)cc1 1300544886 HLYFDQGNNHTIST-KRWDZBQOSA-N 433.537 2.444 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1300709676 AUCFNDYBFXLHBQ-PMACEKPBSA-N 439.560 2.294 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1301016885 CKDKYYBDIOOKTP-NSHDSACASA-N 431.896 2.482 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301259749 QOERLABMFJEGHH-OAQYLSRUSA-N 444.624 2.346 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCC2)C1 1301509239 DFNQNOZFNOCGQX-FQEVSTJZSA-N 438.576 2.266 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)OC)C1 1301555014 QZVCOJXNVSGVNG-SJORKVTESA-N 438.532 2.491 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC(F)(F)CC1 1303096161 OHYNBJQOFQFUHE-ROAZCBAYSA-N 436.463 2.282 30 10 IEEE CC1(C)SCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1303981504 KEBURYIOZBHDTM-PMUMKWKESA-N 427.571 2.154 30 10 IEEE COC1(C(F)(F)F)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1304079821 NANYCPIFKJYMLE-UHFFFAOYSA-N 433.452 2.075 30 10 IEEE Cc1coc(C)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1304614602 QALBDALMYAHRTF-KRWDZBQOSA-N 441.513 2.336 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306293770 PUBCAAQPCYEWIN-PFUTUXKYSA-N 428.537 2.323 30 10 IEEE COc1ccc(CNC(=O)N2CCn3ncc(I)c3C2)cc1C#N 1313212535 JOSAVWFBMSPBOI-UHFFFAOYSA-N 437.241 2.093 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1314728906 HSLKVOIYQZMBJL-IBGZPJMESA-N 435.532 2.140 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 1337950886 DUJDZMBBLAVLTO-NSHDSACASA-N 439.490 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(CC)s1 1358889602 DVWQMSWQURMHKW-HNNXBMFYSA-N 437.577 2.372 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1358916546 OXNUCWKMJCBVRE-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358962296 NJUWVPCNPCKSNY-HNNXBMFYSA-N 436.484 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(C)cccc1C 1358984687 DECSYJXXKKCQJB-LJQANCHMSA-N 427.574 2.211 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCC[C@]3(CCOC3)O2)n1 1359028085 GVHKVRKIPFJSTL-NZQKXSOJSA-N 442.564 2.051 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359037210 ZRBDUAKACMHOCF-XMMPIXPASA-N 434.544 2.137 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359130903 AFTCOPIDHWFHEU-UHFFFAOYSA-N 425.537 2.309 30 10 IEEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1359169207 XYVKJJMQZYWCTK-UHFFFAOYSA-N 437.591 2.285 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359514129 WTPSZNXLUXXVFI-MRCUWXFGSA-N 449.559 2.429 30 10 IEEE Cc1ccn2cc(Cn3c(-c4ccc(C#N)cc4)nnc3N(C)CCS(C)(=O)=O)nc2c1 1361115182 ACICFWYFMVCZIL-UHFFFAOYSA-N 449.540 2.302 30 10 IEEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 1439574818 VFIWLAXEBUXUMQ-CQSZACIVSA-N 431.474 2.021 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1441885143 OCMABBKSKUABSU-MRXNPFEDSA-N 437.500 2.484 30 10 IEEE N#Cc1c(F)cc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1F 1448190716 YEFLRTOXMZLJMG-FKIZTMCRSA-N 438.434 2.256 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 1451371589 PSVNLDDFCOYMBI-OAQYLSRUSA-N 428.441 2.373 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCCN4CCSC[C@@H]34)C2)C1 1455784558 CMTUBKFWZFPOBV-JUFCPRKZSA-N 434.606 2.469 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1465779267 BZAKSFBMVWRIMT-UHFFFAOYSA-N 446.504 2.100 30 10 IEEE C=CCC1(O)CCN(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)CC1 1467522737 CAASVAWUIRRLBB-UHFFFAOYSA-N 448.568 2.286 30 10 IEEE C#CC[C@]1(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1468184292 ZWILIISQOFUWAQ-OPAMFIHVSA-N 439.553 2.123 30 10 IEEE Cc1ccc(CN2CCO[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1 1471223649 VSCWMFRDTSFYIN-GOSISDBHSA-N 445.516 2.062 30 10 IEEE CCCCn1c(N)c(N(C(=O)CN(C)[C@@H]2CCC[C@H]2C#N)C2CCCC2)c(O)nc1=O 1473708712 YECJOOLRSSOEML-DOTOQJQBSA-N 430.553 2.231 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1479432305 HCIOPMGLCNLCML-CEXWTWQISA-N 430.505 2.275 30 10 IEEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1493694135 AKMMEXULJBEVLR-ROUUACIJSA-N 442.589 2.172 30 10 IEEE CCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1499961367 UAGWKKNXQJVYCN-XXBNENTESA-N 439.564 2.316 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1501189661 XPSOZQSJWUCESC-UHFFFAOYSA-N 447.499 2.015 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCOCC1 1507521476 NGVMEJLWVBQNNK-MRXNPFEDSA-N 431.562 2.080 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)c1 1507547534 LXBMTJHMYZHGDM-QGZVFWFLSA-N 443.573 2.067 30 10 IEEE C#CCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507599966 VSSDDRQRCBTBJK-XZOQPEGZSA-N 431.581 2.033 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(C)CN(C)C1=O 1507644004 ZEMAYAAFVHPYNU-FQEVSTJZSA-N 426.318 2.259 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507694766 RKVHQIHQUXQIET-WOJBJXKFSA-N 427.597 2.487 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N1CCCCC1 1507713013 WEULGTKZOLYHHO-OALUTQOASA-N 440.548 2.135 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccnn2)CC1 1507951166 BCOSWZMGHXTDMD-UHFFFAOYSA-N 438.561 2.352 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508034496 VXUWXDDYDXADET-NRFANRHFSA-N 434.562 2.313 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1508040916 DJWIWVAVZRSHSD-OAHLLOKOSA-N 436.557 2.171 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1508154603 CHCVWJWNNVRIOF-CALCHBBNSA-N 442.545 2.363 30 10 IEEE CCCN(CCC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1514760167 BUWRNHIGXIRKFS-YLJYHZDGSA-N 440.589 2.134 30 10 IEEE CN(C)C(=O)COc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1516980161 AXMBMZJRXKOYKL-HSZRJFAPSA-N 449.490 2.297 30 10 IEEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1516981002 OXFLNUMCIPWRFG-GCJKJVERSA-N 442.495 2.087 30 10 IEEE COCCN(C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1519108699 IAMAGDMSAMRLBF-JOCHJYFZSA-N 444.511 2.127 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 1538380905 ZNUILOHIBWFSNR-KRWDZBQOSA-N 430.526 2.208 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C)n(C)c1=O 1539320362 SYSXMZHBRNURRX-UHFFFAOYSA-N 429.480 2.192 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCc1nnc2n1CCCCC2 1539332484 SMASHYIURLWYPN-UHFFFAOYSA-N 428.544 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CCOCC1 1539337397 NVZATWJNXIKNEF-FQEVSTJZSA-N 437.544 2.049 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(OC)c2)C1 1540890740 JKYNAXHKKKHWSI-AHRSYUTCSA-N 441.532 2.487 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1541087177 QBLSDLWHTRXLLN-HXUWFJFHSA-N 437.548 2.084 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1541119984 UOFKBFGDZHDNPG-ZDUSSCGKSA-N 436.442 2.048 30 10 IEEE Cc1nnc(N(C)Cc2ccccc2N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543148522 IUKZAMQSTYJBQS-QURGRASLSA-N 435.532 2.350 30 10 IEEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1543462455 MTTDWVSVXLNGDK-IEBWSBKVSA-N 432.542 2.170 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCCOCC(F)F 1544582055 FILKACVASPDWLT-CQSZACIVSA-N 432.479 2.204 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN(C)CCOC 1545461166 PPLJQPYREVCOKG-MRXNPFEDSA-N 427.553 2.295 30 10 IEEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)N(C)C 1548375311 HSQQNTQVVIAOBI-GOSISDBHSA-N 448.449 2.213 30 10 IEEE CN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1554192318 FAYVCVUUMZFOKV-UHFFFAOYSA-N 430.559 2.454 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCCCC2 1555634426 VCOWIDMWHCUJOE-KRWDZBQOSA-N 442.568 2.498 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 1562248955 KXMPVPSOZKWOCO-FCDQGJHFSA-N 432.546 2.272 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1565295910 BPVDFXBASJCEPE-QAQDUYKDSA-N 434.518 2.111 30 10 IEEE Cn1cc([C@]2(CNC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)CCCO2)cn1 1565441266 KCZCFGFLLUWZAM-OAQYLSRUSA-N 428.924 2.483 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566577629 FDDCEWRKQHVIOB-XNFNUYLZSA-N 430.936 2.275 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 1568690875 UVGSLFFNNNWEKD-QFIPXVFZSA-N 425.441 2.381 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)c1cc[nH]n1 1583854035 MJCSYMIGWQXQIM-CQSZACIVSA-N 443.287 2.192 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1583966207 HJFZZVTWWVFPKP-CTNGQTDRSA-N 435.446 2.259 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c(F)c1 1584348555 YQHZAEBVHLBHOH-AZUAARDMSA-N 437.393 2.157 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2 1585298006 ZKYWBIFAMGTAMK-UZYVYHOESA-N 442.859 2.363 30 10 IEEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1585911090 SVYZKKSHWQBECE-UHFFFAOYSA-N 430.552 2.292 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccco1 1588159368 URTONCDIDQVLGO-UHFFFAOYSA-N 428.540 2.357 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1588844637 MMRRXASPBWVDTR-INIZCTEOSA-N 446.979 2.484 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)CN2CCCC2)CC1 1588848469 GVHUYWHRASSMNM-GOSISDBHSA-N 427.622 2.121 30 10 IEEE C#CCSCCn1c(N(C)Cc2cnn(C)c2C)nnc1[C@@]1(OC(C)C)CCOC1 1589125169 HBRZXGVSRUGQHZ-OAQYLSRUSA-N 432.594 2.363 30 10 IEEE C=C(Br)Cn1c(N2CCC(CO)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589460505 RBTKTZBAUUWYCF-SFHVURJKSA-N 429.359 2.436 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCS(=O)(=O)CC 1589529982 RENJPWAYMRCOEY-KURKYZTESA-N 426.583 2.024 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1593788876 DUDIGZUEPMAXRK-FQEVSTJZSA-N 425.533 2.181 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](F)COC 1595133668 KJPWDZKNOHGUJO-IAGOWNOFSA-N 440.516 2.496 30 10 IEEE N#Cc1ccccc1Oc1ccc(C(=O)NC[C@]23COCCN2C(=O)COC3)cc1Cl 1595390263 YDNDXUGEZWYTHB-JOCHJYFZSA-N 441.871 2.362 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1596865507 AEQLUHBUTXPCRU-WHSLLNHNSA-N 433.578 2.482 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CCO2)cc1 1598186219 QYVIXOGVEJICIZ-QHAWAJNXSA-N 439.512 2.440 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCCN(c2ccccc2C#N)CC1 1611469506 PEYRIKGMAIMNRO-UHFFFAOYSA-N 432.571 2.149 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1613030683 GPZPLISVUQMIBJ-HQLUKAMCSA-N 429.496 2.453 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCc2cccnc21 1613594345 HMTGSZRXGHDWPE-MJGOQNOKSA-N 437.548 2.440 30 10 IEEE CSc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 1616341755 YXDUMKXSJBSPEQ-UHFFFAOYSA-N 447.586 2.039 30 10 IEEE C[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 1617903320 RTHUJGQRSHUMHK-GFCCVEGCSA-N 436.331 2.408 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(OCC(=O)N4CCCC4)c3)CC2)cn1 1622762072 DMNUJFWKAYMTQU-UHFFFAOYSA-N 434.500 2.309 30 10 IEEE C[C@@H](CC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 1629496299 KAOLJDUHRUZGIK-HOTGVXAUSA-N 426.542 2.371 30 10 IEEE C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1636415384 ZLGZWIJBTRFXFO-KRWDZBQOSA-N 439.553 2.341 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1636469652 RRAVQOYSYGVMDA-CQSZACIVSA-N 430.286 2.185 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CCN3CCOCC3)CC3CC3)C2)C1 1641198317 PTSVGHFSGBJVBE-ITGJCUMNSA-N 446.592 2.344 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1-n1cnnc1 1645937764 NKUZIKAOSMKQAI-DTORHVGOSA-N 444.286 2.244 30 10 IEEE COc1ccc([C@H]2CN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CCO2)cc1OC 1653793478 CMAWQSXVWXBPEW-OAQYLSRUSA-N 444.509 2.090 30 10 IEEE COC(=O)c1ccc([C@@H]2CCCCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1C 1655885503 BBUCZHROLPLCSB-PZJWPPBQSA-N 429.565 2.031 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H](C#N)C1 1681433082 BWXQPSGSNHBWQE-SJLPKXTDSA-N 442.495 2.288 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)nn1 1682167136 SXHPASBOAUOKDQ-ZDUSSCGKSA-N 426.290 2.016 30 10 IEEE COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1686054961 FFAMVCPGKRZFFP-QZTJIDSGSA-N 428.489 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NCc1ccccc1 1689868525 JISYICTWISCPRN-CUWPLCDZSA-N 425.533 2.167 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1689907547 CIDRDJNEMVISDC-ACRUOGEOSA-N 431.581 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1690007974 PTHVCBUNPNJFQV-OAQYLSRUSA-N 442.361 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](F)COC)CC1 1690148290 BQJPSFOCNSRKMI-INIZCTEOSA-N 449.477 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2nnc(C)s2)CC1 1690150720 RVRUTBYOFHKUHE-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCOC 1690243025 GKECAAYNOUKTCU-FUHWJXTLSA-N 448.593 2.302 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690312877 FVDMZWQBPXWQIZ-AUSIDOKSSA-N 441.532 2.346 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNS(=O)(=O)CC)CC1 1690362668 LGROPQDZHIWNDH-UHFFFAOYSA-N 446.577 2.243 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1690581847 ZRQYDAGZUGFXMV-HXUWFJFHSA-N 444.605 2.274 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1692348761 GVHVIONBZMFBHD-IBGZPJMESA-N 430.578 2.465 30 10 IEEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1696632064 HIYRUYNXFNNBKB-IBGZPJMESA-N 442.589 2.378 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696718715 DHPXGFOQEDASAJ-QFPXGYFVSA-N 428.518 2.006 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1698222758 VOEBTZOOQZGAPP-UHFFFAOYSA-N 429.521 2.315 30 10 IEEE N#CC1CCN(c2nnc(CCCc3ccccc3)n2CCCn2cc(CO)nn2)CC1 1698490396 ATHGEVNCWAAMOS-UHFFFAOYSA-N 434.548 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1705482161 TZIGAEDTKUTANJ-IIBYNOLFSA-N 447.630 2.244 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccccc1 1705550125 CCZAPBQIJXXXOZ-QFIPXVFZSA-N 438.557 2.215 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)C2CCCCC2)CC1 1705642361 QNPDWBIOYGJUAN-XMMPIXPASA-N 439.608 2.226 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCC)CC1 1705663223 ZRIXTUQQXDILLS-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2)C1 1705667709 QAHIVGJEQPHSSX-ZCNNSNEGSA-N 433.622 2.433 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705789247 DNGLYHTVLLMLHF-UHFFFAOYSA-N 449.563 2.101 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705847960 CBZJBJVPYFTEIG-OAHLLOKOSA-N 439.969 2.414 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705856553 WUHHKQKZKXFHDK-QFIPXVFZSA-N 448.589 2.326 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1706095661 NLROFFRTCVXBPA-AWEZNQCLSA-N 432.475 2.038 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CCC1 1706750911 BQDDJKIXDFWZNU-IZPCHGGPSA-N 434.591 2.309 30 10 IEEE Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)CCO2)o1 1707843298 BPTRQJKCMKBGAK-GCJKJVERSA-N 437.504 2.493 30 10 IEEE CCc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709029689 ZNUNTLAJUQYQQB-VCGVYRDQSA-N 449.559 2.472 30 10 IEEE CN(c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1711044504 ZUDHSGSZXFIBBX-DQRAZIAOSA-N 436.516 2.415 30 10 IEEE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712464294 GGQUHYGYJYWVMH-UFYCRDLUSA-N 427.505 2.098 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(C)(C)O 1712649682 NTYSVRAXLQEBRB-ZCNNSNEGSA-N 441.532 2.223 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1722329104 DJTVFZDMPLVHSW-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1722360416 HEVVAZKDHAXJKC-OALUTQOASA-N 444.605 2.164 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2CCc2c(OC)cc(OC)cc2OC)CC1 1722432180 VIYWTCFVFIMMFK-UHFFFAOYSA-N 427.549 2.425 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc(C3CC3)cs2)CC1 1722432610 YWORPKCZVKIWTC-MRXNPFEDSA-N 430.578 2.140 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722607918 NMNSWGDTTOETNH-KRWDZBQOSA-N 442.568 2.309 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1722720161 HLNVAYADQMKBOB-SNYIIPAISA-N 442.560 2.393 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(=O)NCC(F)(F)F)c1 1740563812 XWUCWQDTNRYKMD-UHFFFAOYSA-N 448.449 2.280 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740793415 ILVIRUNXZJQWRG-FGZHOGPDSA-N 440.592 2.404 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740795172 OZNUEJISCBCGOX-IAGOWNOFSA-N 432.525 2.459 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740884677 IWBNEFKTJILZFI-UHFFFAOYSA-N 439.495 2.264 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1740966271 RBRGTCGGRRJELT-SJLPKXTDSA-N 430.578 2.377 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2)C1 1740979449 FGFSNNOKBPDYTJ-MJGOQNOKSA-N 432.546 2.018 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCOCC1 1741970230 DHNWHJMCRGBFFY-CRAIPNDOSA-N 447.923 2.342 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC(C)(C)C1 1748686678 UKNZOANXUAQUEM-GOSISDBHSA-N 427.549 2.434 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1748713895 VEUGEVVRJZOSDB-UHFFFAOYSA-N 435.454 2.434 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1748750470 HRCMBQUOSZGLHK-QZTJIDSGSA-N 444.580 2.473 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(CC)CC)c1 1748790924 OOIQDYQUXAYBFI-HXUWFJFHSA-N 429.590 2.140 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1748802897 SVIGFHQKLZUQSX-WOJBJXKFSA-N 430.574 2.286 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1748906483 VINMGDSQQGCAMC-UYAOXDASSA-N 444.605 2.185 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCCC2)CCOCC1 1748935384 QYLFHLCFNPSPSL-UHFFFAOYSA-N 425.581 2.244 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(CC)s2)CC1 1748982868 FCVPHPJFONRADU-UHFFFAOYSA-N 428.953 2.211 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1748993536 BDOYBLLYMRENSV-OAQYLSRUSA-N 442.633 2.042 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1749073425 OJRZBWJECHKXGN-LJQANCHMSA-N 446.353 2.052 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749677224 RXFRKCACXOMBED-UHFFFAOYSA-N 438.576 2.060 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C#N)C1 1749725141 QSVINBYKAHMUNC-MRXNPFEDSA-N 427.486 2.021 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N(C)C 1749827668 HRMFWHLXNHKKAX-UHFFFAOYSA-N 449.353 2.471 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C 1760146994 CZDRZRLCMSGLTF-GOSISDBHSA-N 439.545 2.232 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1760159746 ONTXZJQRZNJVHS-AVRDEDQJSA-N 428.537 2.494 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1760170420 BUQMTCPXLALCMG-UHFFFAOYSA-N 446.515 2.493 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760184318 VNZZLYYLZHHTBN-GOSISDBHSA-N 445.589 2.348 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCn1c(C)nc2ccccc21 1760243082 UYAFVSDNHYYXTG-UHFFFAOYSA-N 449.559 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@H]2C)CC1 1760264973 IYQJWVOSHFIWBF-MJGOQNOKSA-N 449.559 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CC)CC2)CC1 1760265711 HTTOZNMWYCGTCG-HSZRJFAPSA-N 429.565 2.086 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(C)nn(C)c2C)C1 1760535139 LXPUCOFYNRKQCG-GOSISDBHSA-N 429.569 2.376 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](Cn3nc(C)nc3C)C2)nnc1C(C)(C)C 1760557918 AASWYNASMZPTDH-GOSISDBHSA-N 449.625 2.301 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1760580223 ATOFLCPGBZHJGZ-IBGZPJMESA-N 449.559 2.167 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCN(CC(C)C)C1 1762610718 DDLSCGNYVUOQDL-UYAOXDASSA-N 437.596 2.331 30 10 IEEE CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1764059356 APNKSVWCJMUDFR-KNQAVFIVSA-N 442.543 2.314 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC1CCOCC1 1764912175 PYIGLWBYYOSBQV-UHFFFAOYSA-N 425.537 2.019 30 10 IEEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccn(C)n1 1768896719 UZTDVJXXRVKIQB-UHFFFAOYSA-N 432.532 2.341 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)C[C@H]1C 1769899205 AUOPINZCTIZPNU-XMSQKQJNSA-N 437.592 2.314 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC[C@@H]2CCCO2)CCO1 1770750964 BCAKVWVIQNQSIC-VQTJNVASSA-N 445.495 2.311 30 10 IEEE COC[C@H](Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1770780901 FWUVXXSVPVQAFU-NXOAAHMSSA-N 436.557 2.449 30 10 IEEE N#Cc1ccnc(N2CCN(CCNC(=O)Nc3ccc(Br)cc3)CC2)n1 1852010357 KBIGJZYEHYMESP-UHFFFAOYSA-N 430.310 2.054 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 1852115834 GXDZEMILVFFPHU-OAQYLSRUSA-N 442.516 2.199 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3cn2)C(=O)C12CCCCC2 1854400576 DEBFUEFEBCILCV-UHFFFAOYSA-N 426.498 2.075 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4nccc(Cl)c4F)C(=O)C3)C2)s1 1856326064 BHXFZLZKVOSBFR-ZDUSSCGKSA-N 447.923 2.366 30 10 IEEE COc1ccc(SCC(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)cc1 1856334880 SARHRMIVFFKZBY-UHFFFAOYSA-N 425.510 2.409 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2CCN(CCC#N)C3(CCCCC3)C2=O)cc1 1856629850 KFOZAXWNIFFCRY-UHFFFAOYSA-N 431.558 2.310 30 10 IEEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)N2CCN(c3ccccn3)CC2)CC1 1860616582 HYKBDZDJRLYCPO-HSZRJFAPSA-N 436.556 2.479 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)COc1ccccc1OCC 1861632871 OGELSUQIXOTWHW-HXUWFJFHSA-N 440.496 2.419 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc1OC 1862634373 XGRNELQVOWQUJN-YUNKPMOVSA-N 441.436 2.392 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)ccc1O 1862759306 ODRSKSVCCUKWNW-SFHVURJKSA-N 428.397 2.270 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 1869929936 PJPAPKGTZFBZOD-LJQANCHMSA-N 426.542 2.243 30 10 IEEE C#CCOc1cn(CCCN2CCCC2=O)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1871003542 KFMPDGWFSVDBSG-UHFFFAOYSA-N 436.512 2.443 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(N(CC)CCO)ncnc21 1873596075 GKMMOMMSRWUJJA-UHFFFAOYSA-N 439.516 2.383 30 10 IEEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891317501 TZPHFNAGWKPCRH-INIZCTEOSA-N 429.498 2.297 30 10 IEEE CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)O[C@H](C)C2)SC1=S 2053511449 UFLBLSHMDVNUDM-VXGBXAGGSA-N 432.571 2.400 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(F)F 2065179261 FAWBIUCLQXFSJF-GFCCVEGCSA-N 442.272 2.263 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669147 AMGXEFJNSJFXPT-YOEHRIQHSA-N 447.341 2.249 30 10 IEEE N#CC1(CS(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)CCOCC1 2174785043 UOYNVSFWBWCMEE-HNNXBMFYSA-N 449.451 2.083 30 10 IEEE C=C(CS(=O)(=O)NC1CN(C(=O)OCc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2241480331 KIVTWAKHSQNYNW-UHFFFAOYSA-N 436.339 2.114 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2247917475 COQASEBJKTXXPH-STQMWFEESA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255629189 SAWGHILEYIQVHO-OAQYLSRUSA-N 434.346 2.086 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255634435 QWQVHYNXDAERGM-YWVIFJGQSA-N 449.382 2.380 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]21 2255657696 SPGHASPSNQVWPP-RHSMWYFYSA-N 431.342 2.395 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255658417 DAADFLMKWBTTGP-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CCn1cc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255817747 ALHGCOATBDQVML-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CCn1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255818419 KYJFISYREFFQNE-KRWDZBQOSA-N 426.370 2.453 30 10 IEEE CC1(C)OB(c2c(Cl)cccc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2256098234 SEHJHHQNXPZGJS-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267145990 ICCOJCMEXNQFMR-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2267182751 IZSYYGWBQJHQLP-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267184329 UJGDQLFEHHQCQU-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267497019 IBRLVYISZLMFPX-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267518077 CRTYIGFWIBDCOT-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2267588640 ORDZLAXJOWEZCF-UHFFFAOYSA-N 443.353 2.320 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)OC1(C)C 2267879826 LXKLJCLHGHAVMI-DEOSSOPVSA-N 436.365 2.418 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267880194 QNMKATYKUPMSAQ-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268654878 FPHCLLFYPFOVDQ-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE Cc1cc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)oc1B1OC(C)(C)C(C)(C)O1 2269083768 AZHFHMWEHULRMI-KRWDZBQOSA-N 442.321 2.202 30 10 IEEE Cc1sc(C)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282493667 XKJMKKAJOGJMAT-UHFFFAOYSA-N 443.396 2.192 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CCO)COCc1ccccc1 2320427133 QOXNKHQVNFLDOG-IBGZPJMESA-N 428.338 2.022 30 10 IEEE NC(=O)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(O)c(O)c1 2327635689 YGXSUBWKLVOTRV-UHFFFAOYSA-N 433.877 2.381 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1 2337303127 DIWQSNCTJKSOJQ-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CCO)COCc2ccccc2)n1 2343498741 VSNMCOJAEQCSKF-LJQANCHMSA-N 440.349 2.387 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1OC 20292844 CQXKHBKBFMYVQM-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccccc2O)n1 21040524 DNNZGFMLYANBFQ-KEBDBYFISA-N 426.458 2.474 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 24804058 MZGAJBNKMXERMS-QUCCMNQESA-N 430.574 2.046 30 10 IEEE COc1cc(/C=N/N=C(\c2ccccc2)C23CN4CN(CN(C4)C2)C3)cc(OC)c1OC 33321765 FHEXTPGXTIPROA-VVQFAHMNSA-N 435.528 2.341 30 10 IEEE COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1N=C(N/C(N)=N/c2ccc(C)cc2)N=C1O 40376558 MBCADTXYJXDVOA-HNNXBMFYSA-N 439.432 2.171 30 10 IEEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)[nH]2)cc1 253573691 RSKSKSMDQAKMCY-KEBDBYFISA-N 426.458 2.474 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)CC1 426220224 NTDZOVNKLIASCG-BQCJMQMNSA-N 434.540 2.451 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 446634178 CDLIPAJRHBSVHE-UHFFFAOYSA-N 448.527 2.274 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)c1C#N 471688832 ORWYRTJIBFFLIQ-UHFFFAOYSA-N 431.422 2.318 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN(CCC(=O)N(C)C)CC3)c2C#N)C1 473204153 FMUFFCBAPWOAGR-INIZCTEOSA-N 431.606 2.169 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481067381 BALMGTSLKBTMOT-IFXJQAMLSA-N 444.488 2.434 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 504087474 GGYDDGHVMOJBGR-OAQYLSRUSA-N 435.546 2.171 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 508831213 ABQGSRHONARAMM-JXFKEZNVSA-N 436.965 2.204 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 523338388 GNSQYEWLWNJAIB-OALUTQOASA-N 444.582 2.310 30 10 IEEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534136470 BQCMWYBFUNXKCX-QGZVFWFLSA-N 440.887 2.471 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)CC1 538353273 HESCWQYRZCESIX-WOJBJXKFSA-N 426.542 2.236 30 10 IEEE N#Cc1cccc(N2CCN(CCS(=O)(=O)c3cccc(Br)c3)CC2)n1 544881185 FHBJRGSCWYHTIV-UHFFFAOYSA-N 435.347 2.312 30 10 IEEE N#CCCN(CCC#N)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 574493909 PBBAUUWTVLTJPB-PQWGXEMDSA-N 428.492 2.122 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c1 609739277 PMEZRXHZWXJUIM-UHFFFAOYSA-N 433.508 2.187 30 10 IEEE N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 611644662 RJCFGHAQKABNII-MRXNPFEDSA-N 430.461 2.069 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 727409976 DJTIIUNEHJASLX-UITAMQMPSA-N 425.514 2.123 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(OC)c3)ns2)cc1 728309875 ZZRLOAXMILUGFB-UHFFFAOYSA-N 428.495 2.378 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729670838 MITBQOXBBBJSJC-UHFFFAOYSA-N 445.479 2.024 30 10 IEEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1)c1cccs1 730728848 GLIXFYQPEAKQOH-QRABNDKPSA-N 435.575 2.365 30 10 IEEE COc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1OC 742627622 JJOJPTYTMCGVCM-LBPRGKRZSA-N 433.486 2.168 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCN(CC(F)F)CC2)C1=O 747043786 LVJDOWHTQFXLRN-INIZCTEOSA-N 435.500 2.355 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cnn1CCO[C@H]1CCCCO1 760400864 DLRQJSYHKXCEFT-SFHVURJKSA-N 438.550 2.268 30 10 IEEE COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c(Br)o1 760584504 FWVLWQUHEFVQEJ-UHFFFAOYSA-N 429.248 2.058 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCn1cc([N+](=O)[O-])cn1 768486624 NGQOGOHIBGLUJP-QGZVFWFLSA-N 442.501 2.400 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 769994253 CQVPORNKBWLLMF-UHFFFAOYSA-N 440.275 2.194 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 792892253 VTOPUNIDZAGGET-UHFFFAOYSA-N 442.560 2.434 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cccnn2)CC1 802601995 KPWQXSRBVMULKI-UHFFFAOYSA-N 448.531 2.397 30 10 IEEE Cc1ccccc1[C@@H](O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 804508475 UZGWXOFZOOBWBU-NRFANRHFSA-N 427.526 2.006 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCOC[C@@H]2CC(F)F)c1 806217581 JVKUBHATLAYYBH-AEWZPABSSA-N 430.477 2.387 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnn(C)n2)c1 807930686 WREZWQLHYCYRGZ-MRXNPFEDSA-N 436.501 2.074 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(C)nn(C)c2C)c1=O 837488446 MSXKJYVIAIKEMS-UHFFFAOYSA-N 436.537 2.065 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cncn3)cc2)c(=O)n(-c2ccccc2)n1C 916961908 VWXNWPGVESSKIW-LJQANCHMSA-N 441.451 2.026 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917772205 VQVWFRMDWUNIHX-UHFFFAOYSA-N 449.580 2.187 30 10 IEEE CCCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 918729041 BULPZCQECBFPLH-UHFFFAOYSA-N 435.553 2.409 30 10 IEEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 918729292 AQMMSEWDQADTDH-UHFFFAOYSA-N 433.537 2.334 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cccc(F)c2C)n[nH]1 1083986853 ZNTBDWFDGLMHRY-UHFFFAOYSA-N 446.512 2.235 30 10 IEEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)NC2CCN(CC#N)CC2)cc1 1125974481 SWVPRUDKUVWELU-UHFFFAOYSA-N 432.546 2.029 30 10 IEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(CCC#N)cc3)cc2)CC1 1133973127 FVBLZRKOALFIDD-UHFFFAOYSA-N 440.525 2.248 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 1135867318 OTDODUZEHVSRST-CQSZACIVSA-N 445.472 2.284 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1136176607 COLAWQBQQLCQMX-FQEVSTJZSA-N 432.590 2.412 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 1136313240 JBDKLFPHBQXUQO-GOEBONIOSA-N 437.338 2.492 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1138108334 MDAUTSRBYCEWMH-JYJNAYRXSA-N 440.541 2.180 30 10 IEEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 1141293393 SUBPCRREAUIZTB-KRWDZBQOSA-N 435.505 2.393 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1149491182 DLXNQDYOKNSCFP-ROUUACIJSA-N 440.569 2.109 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(OC(F)(F)F)c1 1159512139 HVKWVIURXSCHOD-GFCCVEGCSA-N 427.404 2.440 30 10 IEEE C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1162141831 VCZHLUBNBCNHEK-RDJZCZTQSA-N 435.546 2.318 30 10 IEEE N#Cc1ccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(F)c1Br 1162598072 MACXLSBTYYXGRN-UHFFFAOYSA-N 447.312 2.413 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](n2ccnn2)CC1 1168445039 KWJSABRNDRKBBX-WMZOPIPTSA-N 444.561 2.129 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(O)(c2ncnn2C)CC1 1197458617 JYMJMZKQEDSWTA-AWEZNQCLSA-N 428.562 2.328 30 10 IEEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CCC[C@@H](C#N)C3)C2=O)cc1 1197621704 IKEWNDRCWIYLMT-LSPINASFSA-N 442.541 2.473 30 10 IEEE COCC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1248733544 HMHHHUMNLWTYDD-LZLYRXPVSA-N 445.463 2.363 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCN(C)C1 1286365252 ALQMGSQLCLDDQR-SFHVURJKSA-N 438.757 2.497 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286484342 MIUGXQSOQWWUSY-UXHICEINSA-N 439.560 2.172 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC2CCCCCC2)CC1 1286485527 OYIHPBJFJBCJIT-UNMCSNQZSA-N 445.608 2.497 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1286510467 TZSRHOLSWSLQON-UHFFFAOYSA-N 439.589 2.151 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286629495 QPWLIJRGUDFUSA-INIZCTEOSA-N 433.944 2.358 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286712393 XXPZQWFCNHYJBS-DLBZAZTESA-N 432.525 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286785931 URCKSMGZAUPJBW-INIZCTEOSA-N 441.536 2.088 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1294841588 CXBSVZNXLYGCBV-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1296957647 QXNFQFDZOINZBQ-NQKNOSNGSA-N 430.440 2.225 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1300300274 GKPRKNSYZNFJEK-FPOVZHCZSA-N 440.544 2.258 30 10 IEEE COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)N(C)C)c1 1300339371 GVMSOAPOXCGFEQ-MNEFBYGVSA-N 425.537 2.279 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300390825 AFLVJBZGGHZTJG-LJQANCHMSA-N 438.576 2.404 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1300497065 XEFIDNDVMAEQHF-LEWJYISDSA-N 440.569 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCc1cnn(C)n1 1300569374 IUBKOAOLERNLKA-UHFFFAOYSA-N 433.516 2.187 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1300684017 WAKFWGSNDHBESO-OAQYLSRUSA-N 443.555 2.117 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CS(C)(=O)=O)CC2)CC1 1300692475 GVRUBACVCBNVSL-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1300743679 XORWPIMKWHSCIJ-GOSISDBHSA-N 429.590 2.477 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300754866 XEAFUGCRZMGGPB-HNNXBMFYSA-N 438.479 2.211 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300980550 QYXXWYVUVXGLDP-IBGZPJMESA-N 442.564 2.182 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1300991029 ZXJJFNFIJJNDDX-FQEVSTJZSA-N 437.548 2.358 30 10 IEEE COC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1300996749 COCHLCTULNMIHV-BTYIYWSLSA-N 449.483 2.074 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1301040602 GSRYROVZQGLSOP-QGZVFWFLSA-N 425.961 2.294 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1301222927 JMOZMOSYOKSSLP-IRXDYDNUSA-N 425.599 2.450 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCc2ccccc2C1 1301412773 JNQXZTUJKVZHFC-UHFFFAOYSA-N 438.576 2.211 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301559749 FUFYSERMIMTYEF-OAQYLSRUSA-N 429.546 2.258 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)[C@@H](C)C1 1301724048 AYRCGRNPDJPQNL-KRWDZBQOSA-N 437.548 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1302220488 DDMPZXCTBIAMEO-MSOLQXFVSA-N 444.536 2.078 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1302968978 BSQLWMMUKDSGLJ-JOCHJYFZSA-N 438.576 2.462 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)OC 1304139717 VGHCRRKQWDOSBU-SBUREZEXSA-N 442.516 2.391 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 1306994749 HLEOATMXPNKCNV-UHFFFAOYSA-N 437.865 2.034 30 10 IEEE CCOC(=O)c1nnn(C2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1C(F)F 1307993314 VEJMGNKLLGYDSJ-MRXNPFEDSA-N 432.431 2.128 30 10 IEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)CC1=O 1314926330 HGAUZGQGUWDXCC-UHFFFAOYSA-N 437.891 2.223 30 10 IEEE CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1315069817 ICPVCPDHKIUWBZ-GOSISDBHSA-N 428.562 2.035 30 10 IEEE CO[C@]1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)CCOC1 1315271844 QKVUSLZOCNBFQG-UGSOOPFHSA-N 437.342 2.447 30 10 IEEE CON(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1316301785 JUUFFVIUOIBHEO-VZCXRCSSSA-N 433.472 2.326 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1316529071 NGQMNOJVQCAYGM-CVEARBPZSA-N 443.458 2.286 30 10 IEEE COCCCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 1350048473 WFOIFOBRYGEFTE-ZWKOTPCHSA-N 439.516 2.232 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2coc3c2C(=O)NCCC3)c1 1354286173 PGIXVKRPJCFRIF-HAVVHWLPSA-N 430.486 2.021 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1358960332 CANXGBUDWAMBHK-MSOLQXFVSA-N 445.614 2.499 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358962184 LZLRRSQEOYJSFS-HNNXBMFYSA-N 434.591 2.025 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(C(=O)OC)CC1 1358974754 PXNFBBGNNUMEFH-UHFFFAOYSA-N 449.511 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 1359031500 FHSGPQKNESLGAV-LJQANCHMSA-N 433.560 2.124 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccccc2F)CC1 1359043787 IIRNUNBSGBKXHQ-UHFFFAOYSA-N 449.534 2.416 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359216220 RMGCIHUACATEPA-IIBYNOLFSA-N 434.537 2.383 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCN1CCN(C(C)=O)CC1 1359280188 HWFOBSBUBZGPEG-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359287055 JXVWUOPWZFKXHF-ZACQAIPSSA-N 430.553 2.293 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359291019 BGZHMKMKWPBECS-HNNXBMFYSA-N 445.474 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1cccs1 1359298981 QRAYMQWSZGIMGU-UHFFFAOYSA-N 428.518 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccccc2[C@H]1C 1359331409 XTVAFTQMRKXFBO-MRXNPFEDSA-N 426.546 2.403 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)c1 1452254852 WJHLVFVXTZWRQF-IBGZPJMESA-N 444.528 2.266 30 10 IEEE C[C@](CO)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 1454713703 XSDQYPMSMQRYRF-SPLOXXLWSA-N 442.859 2.497 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)O1 1460821999 PZXBKQXPVNKYQR-SLFFLAALSA-N 440.462 2.068 30 10 IEEE CS(=O)(=O)N1CCC(CC(=O)Nc2ccc(C#N)cc2I)CC1 1462864762 QOIFWIQYDRMSPC-UHFFFAOYSA-N 447.298 2.163 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(N4CCCNC4=O)CC3)C2)C1 1466243785 LWVBDIZDFIXQKC-WCCYLALTSA-N 445.564 2.180 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CC1 1471450751 JDMDIFNZUGCSNC-UHFFFAOYSA-N 441.431 2.191 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1494992789 BZOWLPUQSOFGOW-YLJYHZDGSA-N 447.547 2.389 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1495664250 FAHGPGLTEMIUPE-WYJFCODTSA-N 428.537 2.323 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1c(C)noc1C 1504996389 WJPNQCNMOAPZDH-IEBWSBKVSA-N 443.552 2.026 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1507581003 KTFPUZMPJMBHSR-QGZVFWFLSA-N 438.536 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507629481 MVMZPXOTPSEJDU-INIZCTEOSA-N 442.463 2.498 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(OC)ccc1OC 1507661343 SNBMPFXBONKZSL-XMMPIXPASA-N 438.528 2.459 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1507809049 SEHYSNAVSAIULK-YWZLYKJASA-N 431.924 2.428 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCCN1CCC[C@@H]1CO 1511884635 CFJAJKQFUOQVHR-HXUWFJFHSA-N 441.555 2.161 30 10 IEEE CN1CCN(CCn2c(Cc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1(C)C 1517420072 ANDNSVILQPUQFL-UHFFFAOYSA-N 436.608 2.420 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)c1 1518827572 SRDORKDUKZKYCF-OAHLLOKOSA-N 434.418 2.336 30 10 IEEE COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1519127734 XPGCXFZJAOAWBT-RTWAWAEBSA-N 440.548 2.157 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 1519190677 IHXWMFQIVMJIHN-DMPWYTOCSA-N 426.521 2.175 30 10 IEEE Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1527985737 SWBIYDSJKFNJSU-KGLIPLIRSA-N 429.395 2.453 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)C2 1530402858 BRKLEQXHBUFOEU-UHFFFAOYSA-N 431.901 2.389 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1539002184 AQCPTUPAFIEQNI-CQSZACIVSA-N 442.483 2.454 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCCn1cc(Br)cn1 1539145386 HUORRKYSJQJIMM-UHFFFAOYSA-N 436.358 2.315 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(n1)CCCC2)[C@H]1CCS(=O)(=O)C1 1539201703 BXSNWTGYTUHZTL-IBGZPJMESA-N 427.574 2.350 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539212543 QGLOWSXPLOVAJG-LJQANCHMSA-N 430.574 2.295 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1539225888 RXCFXGCJUUPIDJ-ZIFCJYIRSA-N 431.537 2.029 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2nnc(CC)s2)CC1 1539461757 KUKLRMVSNHMYPH-UHFFFAOYSA-N 441.536 2.214 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539662341 SBQBUZBRLLSOEJ-MJGOQNOKSA-N 447.609 2.285 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539973693 BTJZEFNPNYIFOP-OAHLLOKOSA-N 430.534 2.267 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCN(C)C1 1540133032 DGZZTUIMELVYHP-AWRGLXIESA-N 441.576 2.261 30 10 IEEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540920487 XCERCBWHYVUCRB-LJQANCHMSA-N 445.589 2.344 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1541105631 KWLQUNKUMBQCKD-LBPRGKRZSA-N 444.341 2.228 30 10 IEEE CC[C@@H](C)c1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545600277 GTLXAEZRWMJPAJ-IGGDJGDASA-N 428.537 2.325 30 10 IEEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccnc1 1548401456 MJJOYOTWYKODPV-INIZCTEOSA-N 440.447 2.498 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1554305595 FMMLGIOJHZRBKQ-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1555240517 HEEHWKDSLQYPTE-VGOFRKELSA-N 427.505 2.007 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)cc2C1=O 1557855650 PGBYEBNUDOMDPZ-UHFFFAOYSA-N 431.489 2.130 30 10 IEEE CCC1(N2CCCCC2)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 1560107653 YCKUKEQLJSZLEA-UHFFFAOYSA-N 428.581 2.234 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)s1 1567341133 SPKMEMDEGPKLLW-INIZCTEOSA-N 440.509 2.307 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)C2(C#N)CC3(CC3)C2)c1 1568733931 VZYZGZDWBRFAEJ-UHFFFAOYSA-N 426.336 2.236 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cccnc1OCCOC 1587988645 ANSVBQKRMYGOBR-FQEVSTJZSA-N 435.484 2.329 30 10 IEEE Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1B1OC(C)(C)C(C)(C)O1 1588108705 BGTIYNWPJJRSCV-UHFFFAOYSA-N 437.349 2.456 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)CC1 1588198870 BBSFJQOHRAXRML-UHFFFAOYSA-N 433.480 2.166 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCC=C)C1 1589006076 BTXLRHIMXSJKBQ-GOSISDBHSA-N 446.598 2.496 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1589548283 YKIIXYNFKGZVNK-SQNIBIBYSA-N 440.610 2.413 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595906132 YUCPQLPBNHSIJL-DYESRHJHSA-N 437.610 2.200 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC=CCC1 1608563531 KCLCVBFECMFDGX-SFHVURJKSA-N 434.548 2.366 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)o1 1611355875 BNJIZRPDDBSMGS-IAGOWNOFSA-N 429.521 2.300 30 10 IEEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1612968936 UQVFCHSILLARRF-HLAUDOPJSA-N 444.586 2.399 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1614351637 AYRXLNPJESKNKI-APWZRJJASA-N 437.548 2.290 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1617241347 MHEASOBJRAGVTL-RQZFFVEVSA-N 443.573 2.360 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1617369675 OZJNVCWMXWVKBB-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1 1624579405 HNCOPGCNBIDKCF-OAQYLSRUSA-N 438.505 2.479 30 10 IEEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1627747097 PMRRVWIPMGZIFC-YLJYHZDGSA-N 432.586 2.389 30 10 IEEE O=C1[C@@H](NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)CCCN1O 1628547991 NQAFGIHCDJFIOI-HNNXBMFYSA-N 429.286 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC(S(C)(=O)=O)CC1 1629622936 MQVWRHHIZBGXDV-IBGZPJMESA-N 447.557 2.428 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1635630397 KCLJWHVXIICPMT-CVEARBPZSA-N 435.525 2.478 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1635888159 ZKBMQYQKLVDWFG-UHFFFAOYSA-N 437.397 2.334 30 10 IEEE CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C1CCOCC1 1637576542 MSOOKXYWMWYFKA-IBGZPJMESA-N 431.338 2.382 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1642698524 XYAYSNKMRPIUBU-INIZCTEOSA-N 428.489 2.268 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)CC1 1643512377 APXNJKWDFBQKOG-UHFFFAOYSA-N 434.496 2.487 30 10 IEEE C[C@@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1643678496 DRWZUECQPINJCB-QHCPKHFHSA-N 432.436 2.094 30 10 IEEE CN(CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)C[C@@H](O)c1cccc(C#N)c1 1643726160 XOXHIVORXASNPM-XMMPIXPASA-N 448.567 2.263 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)c1 1645034180 LMZNKXPMCZGGEU-GOSISDBHSA-N 440.521 2.333 30 10 IEEE C#CC[C@H](CO)NC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1673572606 FKRFQFVYPAEEGJ-HXUWFJFHSA-N 444.576 2.229 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1683148235 HCENXRWRMSDKEB-UHFFFAOYSA-N 449.573 2.348 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1 1684660627 UDYSGGOVDTZOAH-FQEVSTJZSA-N 428.514 2.337 30 10 IEEE COc1ccc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1C#N 1684862291 UYLCWRSHYOFNRD-RHSMWYFYSA-N 431.436 2.218 30 10 IEEE C#C[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1)C(C)C 1686675222 GZDMRVKEVIXENN-LSDHHAIUSA-N 425.270 2.132 30 10 IEEE C=CCOCCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1687074152 CSOZNCCAOFKASJ-OAHLLOKOSA-N 443.285 2.066 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1689885409 HVIGCZJJSTWDCZ-SFHVURJKSA-N 443.552 2.212 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1689916141 AYAGZOOGKLXGGM-GOSISDBHSA-N 443.573 2.067 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC(C)(C)N1CCOCC1 1690085597 CMTBQIDZUWIYNW-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690476560 HJYXUJWQNHHXHB-OAHLLOKOSA-N 429.912 2.432 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC=C(COC)CC1 1690661875 JXTVPUNYXGKCKC-UHFFFAOYSA-N 433.516 2.420 30 10 IEEE CC(C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1692401598 IRMCTRGGCFKZQR-XUTLUUPISA-N 438.488 2.292 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1692423488 BXKWPHWEJPPPGL-HXUWFJFHSA-N 437.592 2.315 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1693163398 OEBNKNSNLLIZSR-MSOLQXFVSA-N 429.546 2.413 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696381134 XEOGGBSBHAUEHL-UAFUQJIBSA-N 428.537 2.010 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CC 1705480977 ZTCYYJKOOLDKIS-SJLPKXTDSA-N 443.621 2.489 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)N(C)C)c1 1705507354 YUWGNGKWFCUVGX-SFHVURJKSA-N 431.544 2.270 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705565673 JLSIUXDMKSSSAY-QUCCMNQESA-N 444.557 2.203 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571252 XTZJARYKHGKKSW-YZGWKJHDSA-N 427.574 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCCCS(C)(=O)=O)CC1 1705648558 UKXXWLFSVSDPGH-UHFFFAOYSA-N 449.621 2.116 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705871868 AUOJBYRPSZKBNX-HKUYNNGSSA-N 443.577 2.118 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705897345 LBOCJYHQHCADLI-HNNXBMFYSA-N 446.502 2.334 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)nn(C)c2C)C1 1705917893 YZUVNRSVBHNFLM-AUSIDOKSSA-N 444.580 2.499 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2sccc2C1 1705937210 MQLGPQJJBQQCBU-UHFFFAOYSA-N 429.571 2.489 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1707218183 COONKXSUMPALPC-FQEVSTJZSA-N 440.548 2.365 30 10 IEEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1707895666 IPGQQWLNZBOOTB-NHCUHLMSSA-N 442.589 2.199 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1710012755 BSFIKIZQKXAPMY-XLIONFOSSA-N 444.605 2.419 30 10 IEEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)ccc1OCCO 1711668079 QBLCMHCDWYFAMM-WMZOPIPTSA-N 429.521 2.196 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1711804696 MTMWEXYWVKHHEW-MSOLQXFVSA-N 433.459 2.225 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1712219144 SRYUHNPYFITLFD-SFHVURJKSA-N 427.530 2.034 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOC2=O)C1 1712876555 QISYLMRMSZWSRQ-HXUWFJFHSA-N 434.422 2.431 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722315271 KNIHTQTXEWBLSO-JKSUJKDBSA-N 427.509 2.117 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722342997 BEJVWKKGXYNFHV-VQIMIIECSA-N 429.487 2.272 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(NC(C)=O)nc2)CC1 1722435844 VGMGTRZGGHEODG-UHFFFAOYSA-N 445.527 2.111 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(F)c2F)CC1 1722447788 PHKKCPZRSXWLRU-SFHVURJKSA-N 443.498 2.269 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1722472730 RXFLDPIFVCFNKP-OAQYLSRUSA-N 433.553 2.328 30 10 IEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)NC(C)C)CC1 1722568933 GERALUGJMHQGEO-UHFFFAOYSA-N 433.578 2.384 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1722644870 RORAHRCLYSKEQC-IYBDPMFKSA-N 443.556 2.116 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722701213 JLIIMEYNNAKINJ-GCKMJXCFSA-N 431.562 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccccc2C1 1722737276 ZCYPCZASVCYZIB-PMACEKPBSA-N 446.573 2.166 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1722862770 FDJYDZUXWCLYBG-JKSUJKDBSA-N 430.484 2.012 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740565054 IFYUOKQGLJEOTO-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCCCCC2=O)CC1 1740705906 OEUHDRJKFSFGOI-UHFFFAOYSA-N 442.608 2.235 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCCN2CCOCC2)CC1 1740706617 YDHSGJLJQUZDSA-UHFFFAOYSA-N 442.608 2.014 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1740725737 UGNUNBHTYZZHPI-KSFYIVLOSA-N 438.557 2.477 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740742825 CLWSOYPCHHAXKC-ZIAGYGMSSA-N 434.342 2.385 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1740882657 SZMDLOUSIOMPOK-IBGZPJMESA-N 443.548 2.076 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740889358 MSABBLLGKCIRBL-QZTJIDSGSA-N 425.599 2.389 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1741004807 MSNYIRONXZGLHC-INIZCTEOSA-N 427.640 2.499 30 10 IEEE CC(C)c1nnc(N2CC[C@@H](CN3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741350717 GDLXFDZMJSJTAL-BKBKCADHSA-N 441.580 2.240 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1744189207 DTPSWBVEDTVXGL-QGZVFWFLSA-N 449.563 2.211 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1744755757 DIHVUHPTMUYKJU-HXUWFJFHSA-N 449.559 2.323 30 10 IEEE CN(OC1CCCC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1748003537 YMFGQSUMMBIXLQ-QZQOTICOSA-N 437.504 2.101 30 10 IEEE COC1(C(F)(F)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1748460138 NXLGXAKLLOWJRK-INIZCTEOSA-N 425.480 2.495 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(N)=O)c1 1748931217 QFHCJLNTQZADBC-UHFFFAOYSA-N 427.512 2.318 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1748962572 LJRZPYSHMREWRD-LJQANCHMSA-N 440.548 2.446 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCS2)CC1 1748978835 QADNPZNTEVUSKB-KNQAVFIVSA-N 433.622 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCOC2)CC1 1749019131 MCARHAUYBMESES-DFQSSKMNSA-N 443.592 2.199 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1749056305 XOBVBIYXUZLKKZ-YADHBBJMSA-N 427.553 2.072 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1(C)C 1749220028 AHYOBFUNYVTZCL-SFHVURJKSA-N 426.521 2.068 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749669286 FYYYOPVPOQAMMD-QGZVFWFLSA-N 445.955 2.197 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1749687400 QSBYDOXZGVYXQN-ZDUSSCGKSA-N 447.483 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(C)(=O)=O)C1 1749717679 OQBZXKLJPSVMIP-GOSISDBHSA-N 434.562 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749736293 HQKXCFWQPOMVLF-MOPGFXCFSA-N 448.564 2.472 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1750380957 DBRQMRWXLXNYNO-XLIONFOSSA-N 428.493 2.226 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1750474870 OJFPTAXEMJHCPH-QHCPKHFHSA-N 439.564 2.265 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1750484895 BVWDQQKROHKJTE-UHFFFAOYSA-N 436.520 2.350 30 10 IEEE CC(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750811372 ZKGISXAUYXSWRV-FQEVSTJZSA-N 439.564 2.438 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752709598 MGNRMESMDNIYID-IOGQSSPCSA-N 441.580 2.383 30 10 IEEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760165139 KGSMKMYXDAVTCZ-MRCUWXFGSA-N 430.512 2.344 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760190644 STJGPZBSNWPXTG-NRFANRHFSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCC2)c1 1760201802 JOOHUAFBNJWOGV-FQEVSTJZSA-N 430.512 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1760211782 MFYWCPGVFSTGCM-BJKOFHAPSA-N 440.519 2.440 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 1760253017 URAVZMCGFRDBSE-UHFFFAOYSA-N 445.568 2.373 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760355497 MMPIWIYARLEUBD-IBGZPJMESA-N 425.541 2.321 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760446575 WBPVBZKRBCANHE-OAQYLSRUSA-N 426.477 2.305 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1760545321 RVSBMKAFIMWWMA-CEXWTWQISA-N 427.553 2.016 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1761360369 LANAGCTXWBBSPQ-GDBMZVCRSA-N 438.458 2.127 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1768086215 CGDHOHUBTKXVJG-OALUTQOASA-N 429.546 2.255 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1769194300 ADSHHZJTVGSCIJ-SFHVURJKSA-N 437.548 2.084 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1769912447 NEPBSENYFCDJQJ-VGOFRKELSA-N 442.495 2.319 30 10 IEEE C=CCN(C(=O)CCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)c1ccc(C#N)cn1 1849691099 IXGVJHMAZXIYEU-GOSISDBHSA-N 427.530 2.278 30 10 IEEE N#CC1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1850279124 VUCYXTYBELFILJ-UHFFFAOYSA-N 438.981 2.092 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1)[C@@H]1CCN(C)C1=O 1850379594 LRQDODXBUMBYMJ-FXAWDEMLSA-N 436.560 2.070 30 10 IEEE Cc1cc(C)c(C#N)c(C(=O)OC[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)n1 1851762379 JCYOSTAOBBRNHX-LJQANCHMSA-N 427.526 2.069 30 10 IEEE Cc1ccc(C)n1[C@@H](CC(=O)N1CC[C@]2(C1)C(=O)N(C)C(=O)N2C)c1ccc(C#N)cc1 1853039913 FHVUHPLLUOYFMM-RDPSFJRHSA-N 433.512 2.451 30 10 IEEE Cc1noc([C@@H]2CN(C(=O)CCON=C(N)c3ccc(C)n3C)C[C@H]2c2ccccc2)n1 1853407985 VQCXGMYVWHZPJM-RBUKOAKNSA-N 436.516 2.462 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(F)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1854456737 JZFSSDGVHVQGRV-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1856533544 KUWGGJRSZYNHIF-FQEVSTJZSA-N 431.558 2.166 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OCC)c2)cc1 1858979632 ZQUYLCQPVPQHCB-UHFFFAOYSA-N 431.514 2.232 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862643851 WYQCCGSVMYZPAH-MLCYQJTMSA-N 446.387 2.407 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C)nn2CC(C)C 1864318651 BOMOOJWRBXPZAV-LJQANCHMSA-N 426.517 2.215 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1cc(OC)ccc1OC 1864337602 FICFWJTXQZHJPA-CYBMUJFWSA-N 438.406 2.453 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2cccnc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 1870005167 ZLLWQOXGUZRBIJ-ZDUSSCGKSA-N 436.925 2.117 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(=O)c2cc3c(cc21)OCO3 1873867827 ZKSNUIIUAGDYQX-ZDUSSCGKSA-N 432.436 2.379 30 10 IEEE C=CCC1(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2010230216 XFSYOURGDVCJAT-HOTGVXAUSA-N 439.553 2.286 30 10 IEEE C=C[C@@]1(CO)COCCN1C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2022249654 IKYOLJGALOPBNO-WMZHIEFXSA-N 434.533 2.263 30 10 IEEE C#CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)C1CCN(C(=O)OC(C)(C)C)CC1 2022866061 QORLAYBDZCKMPS-RDJZCZTQSA-N 439.553 2.122 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2059770354 UYEZYALFPFUOBH-WZONZLPQSA-N 444.532 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2060642578 YZNAAOULCHVBJP-UUAJXVIYSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124521530 HYRGZRSWCIKHDA-GOSISDBHSA-N 448.369 2.268 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H](C)N1C(=O)OCc1ccccc1 2174785117 VPLNGXITSOURGX-HDICACEKSA-N 435.546 2.368 30 10 IEEE N#Cc1cc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1F 2195348269 ISINQECDMOXABS-SFHVURJKSA-N 434.445 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248403634 HMGTULMHVGFGDP-GFCCVEGCSA-N 439.343 2.017 30 10 IEEE Cc1c(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267140007 NHZUDCGSRCHIDE-KOSHJBKYSA-N 436.365 2.032 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267140539 CXXCSLJOFXGCRE-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1 2267155171 PWPXPROXRZSJLE-LJQANCHMSA-N 438.381 2.454 30 10 IEEE Cc1ccc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267224055 NPJZUJMZTWJDRT-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](F)C1 2267273017 HFNHTEPXKXQTCF-DLBZAZTESA-N 449.332 2.458 30 10 IEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267550110 VBQMVGKIOJBSLS-INIZCTEOSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)o2)OC1(C)C 2267556630 GHTAJHCEACKPFY-AVGNSLFASA-N 442.243 2.250 30 10 IEEE CC[C@@]1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267601608 YJXBOVXPVGGICM-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267874379 ZYGYHXCOGMUHPR-IBGZPJMESA-N 436.365 2.416 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1 2296557176 VEDPXVPGSCTSMK-OAQYLSRUSA-N 438.480 2.450 30 10 IEEE CC1(C)OB(c2cc(O)c(C(=O)NCCNOCc3ccccc3)cc2F)OC1(C)C 2317237752 WDSNNYDHCIOHRM-UHFFFAOYSA-N 430.285 2.282 30 10 IEEE COCCn1cc(C#CC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cn1 2318056758 KVWPWDIPPWRYFI-UHFFFAOYSA-N 440.544 2.477 30 10 IEEE CN(C[C@H](O)CN(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)C(=O)OC(C)(C)C 2322308533 GFZLUJZKTCOJGG-CQSZACIVSA-N 439.337 2.184 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cccc([N+](=O)[O-])c1 2328261470 WXLKTVMCJAEDPL-UHFFFAOYSA-N 442.457 2.234 30 10 IEEE O=C1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])=NN1 2331441028 OCDUKLGSRMUPPK-UHFFFAOYSA-N 437.364 2.391 30 10 IEEE C=CCn1ncc(NCCOC2CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2337254250 CQGPUHCJWFNTIK-UHFFFAOYSA-N 429.315 2.240 30 10 IEEE Cc1cc(F)ccc1NC(=O)CSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20920989 HSMLLQOKWCKKAJ-QPSGOUHRSA-N 431.501 2.394 30 10 IEEE C=CCNC(=O)c1cc2ccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc2oc1=O 40897357 ALUQSSUOXQNEME-CYBMUJFWSA-N 446.415 2.299 30 10 IEEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1 59892327 YWVMGBBKBBOWJV-KGENOOAVSA-N 449.585 2.157 30 10 IEEE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ncccc2C#N)CC1 106125026 KJICKTAZQPFKLB-JOCHJYFZSA-N 444.539 2.467 30 10 IEEE COC(=O)COc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 109937854 SHXMCMMVSFPJQN-SFHVURJKSA-N 425.466 2.264 30 10 IEEE CC(/C=C/c1ccccc1)=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@@H](O)COC(C)C 254812647 QLASWBIWAKJUKD-REIVSWEMSA-N 440.504 2.123 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cccc(Cl)c1 441221692 AOVBJSMRTHMPQF-FPAYPSAMSA-N 433.892 2.012 30 10 IEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cc1Cl 476577504 IQUKJJNJHYDFLE-DOTOQJQBSA-N 425.876 2.203 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 508823108 BRGZMKAGMPXRMR-KRWDZBQOSA-N 435.887 2.307 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 508917045 AXFSDTGNDHWEAJ-MJGOQNOKSA-N 449.552 2.005 30 10 IEEE C=CCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(F)(F)Oc1ccccc1 508919622 RLFQZIZGNRJOPM-OAHLLOKOSA-N 441.504 2.358 30 10 IEEE C=CCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(F)(F)Oc1ccccc1 508995824 DGRFKKXXMAINTI-UHFFFAOYSA-N 432.431 2.113 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccs2)c1=O 522283372 COSCOHQNBLNRCD-UHFFFAOYSA-N 440.546 2.402 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)s1 531684010 PAZKAXPMUNNQBX-UHFFFAOYSA-N 425.535 2.442 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ccnc(N(C)C)n2)CC1 533394523 AONWEVGEUIUCMC-AWEZNQCLSA-N 425.562 2.114 30 10 IEEE COc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1OCCO 540616975 SVQQCIPTFDDSLG-KRWDZBQOSA-N 427.482 2.092 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)CO)c1 549091225 PFEIFLIOJBLWFB-FQEVSTJZSA-N 438.933 2.194 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 580603812 VUUMQKJQXILSGN-QFBILLFUSA-N 431.562 2.248 30 10 IEEE C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 619674880 MEVHQPWYZGJVDP-KRWDZBQOSA-N 444.532 2.223 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cscn1 730140731 XNQJHUIOXAIBJL-KRWDZBQOSA-N 447.586 2.351 30 10 IEEE COC(=O)[C@H](OC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(C#N)cc1 740212057 GNKAWZBEZICDIC-OAQYLSRUSA-N 442.493 2.389 30 10 IEEE COC(=O)[C@@H](OC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1ccc(C#N)cc1 740212951 VVYRZISMEZPFMY-XUZZJYLKSA-N 447.447 2.315 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1C(=O)c1ccccc1 741340543 FXBYGORZGUIZRT-GYHWCHFESA-N 447.447 2.316 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cc(C)ccc2F)C1 760322330 WYAACOYWBVYCIY-CJNGLKHVSA-N 435.525 2.006 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)c1 761251553 DOOJTBHHLADFOG-UHFFFAOYSA-N 441.509 2.284 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 764051780 HESIWKVSZIBHLK-IEBWSBKVSA-N 449.529 2.443 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)c2)o1 779188967 DMJYBFFKSKDBPV-UHFFFAOYSA-N 426.454 2.057 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@H]1CCCO1 782589552 TVWGMOBDWPGORE-OAHLLOKOSA-N 441.578 2.295 30 10 IEEE C[C@@H](NC(=O)[C@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1Cl 787052846 NSQUXSYVMOHSSB-ZWNOBZJWSA-N 447.282 2.023 30 10 IEEE COC(=O)C1=C(C(=O)c2ccncc2)[C@@H](c2ncc(C(F)(F)F)s2)NC(=S)N1 788477686 XMODVGBJMCKHMJ-JTQLQIEISA-N 428.417 2.386 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)[C@H](C#N)c3nccc4ccccc34)cnc21 792097111 UEIATADFUUYIAZ-ZDUSSCGKSA-N 437.257 2.317 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCO2)cc1 802690376 ZYUDTKXPNGFTSW-RXVVDRJESA-N 438.532 2.221 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@H](C)Oc1ccccc1C#N 804879154 BXKXSDNZPGBYKC-RDJZCZTQSA-N 431.489 2.337 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnc3c(Br)cccn23)cc1 808211127 MLKOJHISXLRPBQ-UHFFFAOYSA-N 433.287 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2CCCOCC)CC1 812203091 QPRVOPPVHFINRM-OAQYLSRUSA-N 437.544 2.347 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 873677903 IHDFOLMYHAVWOO-KRWDZBQOSA-N 425.869 2.398 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 919705751 XXWZAOXUVALRFL-UHFFFAOYSA-N 425.510 2.045 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c(F)c1 1130019426 RSYXFTLYZBRMAP-QGZVFWFLSA-N 443.500 2.265 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2(C#N)CCCCC2)o1 1131326470 BGJTVWYRDUNHLS-HNNXBMFYSA-N 437.518 2.200 30 10 IEEE COc1cccc(C[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)n2nnnc2C)c1 1134277599 CJJSJHAVONUCCG-YADHBBJMSA-N 432.484 2.246 30 10 IEEE COc1c(F)cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1F 1141095569 HDGRIIXSBKPZOJ-SNVBAGLBSA-N 425.413 2.159 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 1152128113 DNHSQJCIXQZUSS-UHFFFAOYSA-N 433.461 2.464 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](Oc3ccnc(CN(C)CC)c3)C2)c1 1174844730 GXKOSWVMSMZPHA-QFIPXVFZSA-N 435.528 2.316 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cc1 1252459593 TYUOAGHFPOVCOO-CVEARBPZSA-N 440.305 2.139 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(-c3ncnn3CC)cc2)c1 1264809499 IWKIKFXKURZLOZ-UHFFFAOYSA-N 443.507 2.452 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)cc(C)cc1C 1286465792 BDAOIDJXVBUYND-IBGZPJMESA-N 430.574 2.240 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286511368 JUVCKPSYADCRGI-SFHVURJKSA-N 438.557 2.187 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286606241 KJQOGLLJDXAVDT-RXVVDRJESA-N 430.597 2.127 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286607877 KXIMBOPTXIVURG-VQTJNVASSA-N 432.613 2.250 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1286708806 ZKHYPTFECIICAD-UHFFFAOYSA-N 428.537 2.398 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1286781505 RYOOTXPMYYYGEW-CABCVRRESA-N 430.940 2.398 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1286791322 QSOXAGDSIVFFJQ-UHFFFAOYSA-N 440.577 2.110 30 10 IEEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 1287156473 OFMQCGKDSURBEM-QIJUGHKUSA-N 438.576 2.381 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1288519938 QLQZTXCYCJDKFF-DLBZAZTESA-N 447.561 2.393 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1288974036 ARDGIVITGNMNJM-FQEVSTJZSA-N 448.593 2.002 30 10 IEEE CCOC1CC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1296963001 BCWQMZKHCSKWHC-WBTXTPOCSA-N 431.924 2.181 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1300345323 TUFVWOHHWMVFGX-UHFFFAOYSA-N 432.546 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCNC(=O)c1cc[nH]n1 1300596278 WJRBMONITABGHG-UHFFFAOYSA-N 447.568 2.495 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1300751111 FTKKLFWISNNBBF-OAHLLOKOSA-N 427.530 2.097 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300763921 YDSYGTRRAOOOMS-PMACEKPBSA-N 432.638 2.102 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1300786171 DTSPFXNXLPYWCA-YADHBBJMSA-N 433.622 2.360 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1301412519 CLSYFDNNDYAPLK-QHCPKHFHSA-N 439.564 2.034 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301491140 FBBAUJGTNIRIMF-KRWDZBQOSA-N 435.532 2.058 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H]1CC 1301497432 WLSLPKPVTDWIIL-JKSUJKDBSA-N 435.532 2.119 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1301528483 CQYZVSSHYNQEHI-KRWDZBQOSA-N 433.578 2.486 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1301542760 FNVFZWWUUWAJGA-VGOFRKELSA-N 445.568 2.106 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1301566252 OFFITDOKLUFNOH-JXHRLWIKSA-N 428.533 2.487 30 10 IEEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1302382600 AIUVHTHYDCNKQD-PXNSSMCTSA-N 436.582 2.097 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C[C@@H]1O 1302841206 DPWUQHCTWUPNLT-LPGCABEGSA-N 445.589 2.483 30 10 IEEE C=CC[C@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1309390740 MPVYGQVYBADDRK-MOPGFXCFSA-N 438.546 2.462 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1313666057 HHJCVQHQNQTNBR-HKUYNNGSSA-N 439.564 2.161 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1316188800 KMEJMOYEFNCXBR-KSFYIVLOSA-N 426.521 2.279 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358965434 VGYQKHUNYKBJJZ-IBGZPJMESA-N 439.516 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C(C)C 1358987409 FQHUFAMHRTYFHQ-FQEVSTJZSA-N 428.558 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCOCC1 1359073362 MTLUNCNYKAEGJC-JOCHJYFZSA-N 425.581 2.243 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)Cc1nc(CCOC)no1 1359085084 AOTLGYZUFQURRP-UHFFFAOYSA-N 448.325 2.381 30 10 IEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H](C)CC(N)=O 1359087330 AZPYUMUKBREOGM-ZDUSSCGKSA-N 438.326 2.474 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359088380 JHSIZADDONCZDG-QGZVFWFLSA-N 441.418 2.328 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359123626 CONWIJQAZJESOD-UHFFFAOYSA-N 438.536 2.411 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2n[nH]c(C)n2)C1 1359314669 FZZAPFYZKYFXMD-QGZVFWFLSA-N 439.520 2.413 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1435077073 DPUUDGMNOGGSDC-UHFFFAOYSA-N 430.486 2.074 30 10 IEEE COCCn1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc1=O 1442620028 WEIURBJVYVRKQO-BXFSZVDSSA-N 430.505 2.220 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1443737943 AAMQXVIITXGYSV-LJQANCHMSA-N 427.398 2.193 30 10 IEEE Cn1cc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c(-c2ccc(C#N)cc2)n1 1447594250 IKMSDPOBKWKYGK-WFXMLNOXSA-N 438.557 2.301 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCCS(=O)(=O)C[C@H]2C2CC2)n(Cc2ccco2)c1C 1460850898 MVVHKYITRBNLAG-FQEVSTJZSA-N 444.557 2.456 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCCS(=O)(=O)C[C@@H]2C2CC2)n(Cc2ccco2)c1C 1460850903 MVVHKYITRBNLAG-HXUWFJFHSA-N 444.557 2.456 30 10 IEEE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1460875106 KJUYDMKVWZNCHP-BBBLOLIVSA-N 438.275 2.255 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(Cl)c3Cl)CC2)cc1 1464034009 MFYWIPUKNSAPFE-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1466666441 DAPGTGFGHMDOEP-HOTGVXAUSA-N 435.525 2.478 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OC)[C@@H]3CCC[C@@H](OC)C3)ccc2c1=O 1469740056 BZTMLQAFQKFFCA-SIIHOXLZSA-N 445.541 2.348 30 10 IEEE CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1471150005 HYDOBNUIJFVFFZ-ORIGZDJFSA-N 442.299 2.108 30 10 IEEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)N1CC[C@@H](N(C)C)C1 1475478421 HYSRQODWUHITHA-WBVHZDCISA-N 426.970 2.067 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccnc1-n1cccn1 1496706640 HZFCXDASDVGNIT-MRXNPFEDSA-N 435.536 2.421 30 10 IEEE CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1502198087 JZJJVQBAJIRWCB-QGZVFWFLSA-N 439.564 2.437 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCSC)CCO1 1503772977 QAUHQQHHSBKUNW-SFHVURJKSA-N 428.562 2.301 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1503811361 SHTAOEWGLIRPRL-IBGZPJMESA-N 433.520 2.003 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2Cl)CCO1 1505321052 FCTLYZKNOJFAEU-MRXNPFEDSA-N 432.887 2.278 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507573791 JDQSPAIDNZNOJW-PGRDOPGGSA-N 444.536 2.392 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCN2CCCO)CC1 1507718346 PBBFWEBIOGYLDA-OAQYLSRUSA-N 442.995 2.201 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1507772190 IKBNMKWDOJCJFN-KGVIQGDOSA-N 449.621 2.429 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)C1 1507797198 RMQCVHKXOCNBAS-UTKZUKDTSA-N 441.532 2.270 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507849459 XCTFBXASYNYKFX-KNQAVFIVSA-N 435.569 2.016 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1507863391 DWKLLGXOCNPQAS-INIZCTEOSA-N 432.912 2.154 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1507924160 JJRGHMJELUAHIZ-AQNXPRMDSA-N 425.533 2.093 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1508040351 RQUKRFMUWSJBLV-UHFFFAOYSA-N 446.577 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC(=C)C 1508087929 QXANHCQMRYSCPR-UHFFFAOYSA-N 435.532 2.380 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)nn(C)c2C)C1 1508111079 WFRBNPAVLMKAKI-KRWDZBQOSA-N 436.520 2.105 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1508122825 ATEAKAVEVJFQMV-RBBKRZOGSA-N 439.608 2.071 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1508160413 UGKOEJSVTWEQHZ-LSDHHAIUSA-N 434.591 2.491 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1514476657 HKIOKYKAZVFDIZ-SFHVURJKSA-N 432.550 2.047 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(-n3cnnn3)ccc2Cl)ccc1F 1515534631 FTLRHBDFNASFHE-UHFFFAOYSA-N 436.856 2.171 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1Cc1ccc(C#N)o1 1516629107 QCJHWJLPVWVTDC-LJQANCHMSA-N 425.493 2.046 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1516678911 HTMVGOWFPYPKLI-XOMICKMZSA-N 439.520 2.053 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)ncn1 1517612641 BDRXVTHOVIXKBK-FGTMMUONSA-N 439.568 2.269 30 10 IEEE COc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1518243082 SNAKBDNPJBQENZ-AWEZNQCLSA-N 444.517 2.046 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@]1(C)CN(C)C1=O 1519132225 QABPPNIKZRGJIO-DEOSSOPVSA-N 445.527 2.343 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@@H]21 1519484349 KJHYLOZIOFYKGA-WSKPXFJMSA-N 442.564 2.254 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2sccc2CC#N)CC1 1532411964 WTPKRLHZLGTKDY-UHFFFAOYSA-N 434.499 2.178 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539025879 NTDCYWZAFKSJAT-MJGOQNOKSA-N 448.579 2.098 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc([C@@H](C)OC)n1 1539172143 UELSNASBGJWDIX-CQSZACIVSA-N 449.540 2.474 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCO[C@@H](C)C1 1539178626 JDSBFAQGEJMWII-RXVVDRJESA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1539462918 PUMATQLZDUCRLV-CMOCDZPBSA-N 445.608 2.209 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1539649749 CROWXPSVOADRRW-MSOLQXFVSA-N 426.631 2.411 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1539714638 REXJPFBFFLJNTB-HNNXBMFYSA-N 428.562 2.341 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1539811420 BFHIDCFKVFAYOM-UHFFFAOYSA-N 436.973 2.030 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 1540734425 HMGRNOJHZNRFJO-FQEVSTJZSA-N 432.540 2.371 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1540859729 CRHIPMOVSGJFBX-OAHLLOKOSA-N 443.939 2.490 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540869187 DZCXHZFRGQGWLR-OAHLLOKOSA-N 437.470 2.024 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1540877838 HIZFAYYLYLVJBE-WOJBJXKFSA-N 425.533 2.500 30 10 IEEE CC(C)CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1541591119 QWLTVSQRJFVIFQ-UHFFFAOYSA-N 428.562 2.444 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(Br)cc1Cl)c1cc[nH]n1 1542445833 RMMMKFGPGXBIRN-UHFFFAOYSA-N 443.685 2.426 30 10 IEEE CN(CCN1CCOCC1)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1542815302 HROUYOQEABZNJX-HXUWFJFHSA-N 428.533 2.183 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H](C)N(C)C1CC1 1544581856 AIZOTUFLPSAWHR-IRXDYDNUSA-N 437.596 2.435 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1 1544812619 TZNRSONFDCBXRG-UHFFFAOYSA-N 437.297 2.493 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCC#N)CC1 1587546441 VIBUTLVJRHSGKS-FQEVSTJZSA-N 429.565 2.070 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1587626207 IQEXTFUDPZESCM-ZWKOTPCHSA-N 449.559 2.289 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1587632416 LRIDGXXOURYOES-SFTDATJTSA-N 437.592 2.237 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccsc1 1587970390 WJFFGFHUPOANSB-FQEVSTJZSA-N 444.586 2.277 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588064549 KFXDRDXGHCAXJI-IBGZPJMESA-N 428.558 2.245 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1589163432 JBQYJRDQNWCVFY-FGZHOGPDSA-N 433.553 2.447 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)S(C)(=O)=O 1594885786 PHLKMGJAFJFDKV-UHFFFAOYSA-N 445.387 2.330 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595890319 PJOLDLRXMZSCCR-QGZVFWFLSA-N 436.603 2.420 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1611414594 VPHYZTGZUYPSMF-FGTMMUONSA-N 448.568 2.404 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1611766928 DTJBVYPTECJAAK-MAODMQOUSA-N 435.594 2.251 30 10 IEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cs1 1612424277 GOZQRWSAQYZPSJ-INIZCTEOSA-N 437.529 2.048 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H](C)C2)n1 1612502884 NVICKPXRYDNGHW-WIYYLYMNSA-N 440.596 2.381 30 10 IEEE NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1618132822 ZIFRKQOPDRMGBD-IMSYWVGJSA-N 438.315 2.429 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1619845350 YMADAVJHEVMFCU-UHFFFAOYSA-N 431.500 2.211 30 10 IEEE CCN(CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O)[C@H](C)C#N 1620448533 LAHIHOGKFMFYKH-XWAFYUISSA-N 446.529 2.090 30 10 IEEE C#C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1627507733 MNYOMVYHBCAUEC-SFHVURJKSA-N 432.542 2.263 30 10 IEEE CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1628360893 NQLDVKJOEYJAAJ-UXHICEINSA-N 438.503 2.407 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NCCCN1CCN(c2ncccn2)CC1 1629389251 NNLQLUUMVJNACB-UHFFFAOYSA-N 429.322 2.053 30 10 IEEE CC(C)(C)[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nc(=O)o[nH]1 1630795672 XXNALHJCUAKVFK-CQSZACIVSA-N 434.294 2.337 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCNC(=O)c3ccccc3F)C2)C1 1631383022 FYIDYPOFNQQIKM-PMFMOCITSA-N 444.507 2.459 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[C@@H]1N1CCN(C)CC1 1631784441 RNWLCRGHKCZZPG-AQNXPRMDSA-N 435.613 2.448 30 10 IEEE C#CC[C@@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccccc1 1633350159 CJEFJSYXOYHDFW-OAQYLSRUSA-N 426.542 2.191 30 10 IEEE CCOC(=O)[C@@]1(COC)CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1633661375 RIBSNYMCRXEFGS-IERDGZPVSA-N 425.526 2.392 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697093 HPSUYLDQRMYIEN-MDOVXXIYSA-N 427.567 2.055 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1637076378 IDRAJZCLKHLIPA-SJLPKXTDSA-N 446.495 2.314 30 10 IEEE CC#CC[C@H](CO)NC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 1639841179 ZYPNHYILDPQKPM-QGZVFWFLSA-N 436.350 2.452 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 1640916063 IXUVEJOLARZSNL-JOCHJYFZSA-N 441.553 2.467 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC 1644596615 KLWKPOIWGWVJSG-UHFFFAOYSA-N 442.516 2.448 30 10 IEEE Cc1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(F)cc1Br 1654015937 GLYYDQMDABNENY-UHFFFAOYSA-N 434.331 2.133 30 10 IEEE Cc1cc2c(cc1Br)CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 1654832359 OFWMUFGARBKWCF-UHFFFAOYSA-N 448.342 2.492 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)CC1 1668213345 ZBKYFCDTVMREOF-UHFFFAOYSA-N 434.468 2.249 30 10 IEEE CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CCN(CC(F)(F)F)CC1 1681227094 NQDIUWSXPJWBDM-ZFWWWQNUSA-N 433.475 2.414 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(N4CCCOC4=O)CC3)C2=O)cc1 1681302062 UVMGPIWVUVGOMV-IBGZPJMESA-N 425.489 2.070 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1684758778 UTMBRGHKURMNHN-UHFFFAOYSA-N 445.539 2.335 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCc4ncc(Br)n4C3)C2)nc1 1685777595 FBGUGIKRYJUORX-UONOGXRCSA-N 431.294 2.090 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)on1 1687177347 JVVXYSCHRTXQIF-HNNXBMFYSA-N 433.472 2.432 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689980213 OAFZEEDBUOHXKS-QGZVFWFLSA-N 440.573 2.252 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1690050156 VAPMGARWCXJIBQ-OAQYLSRUSA-N 439.585 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccco1)N(C)C 1690056229 KNZRYWBIWRGHHO-ZVDOUQERSA-N 425.533 2.361 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSc2ccccc21 1690104038 KWUVJEBECGUZCP-SJORKVTESA-N 446.598 2.156 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCC2(F)F)CC1 1690142733 SNLCOHFRFVESEI-SFHVURJKSA-N 445.518 2.470 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1690183890 AFHSZSZOZKDDBC-UHFFFAOYSA-N 441.561 2.245 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690298048 NMHPGSZQBKGQND-UYAOXDASSA-N 432.613 2.419 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690430552 NKCGVBBGRMZNRT-KRWDZBQOSA-N 442.568 2.235 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690627582 GCALKTIQORPVSS-JOCHJYFZSA-N 444.967 2.349 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1692424611 OKNFJYXASBYSLB-LJQANCHMSA-N 449.559 2.036 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1696497887 IUQWJJXFTGRVBN-UHFFFAOYSA-N 448.568 2.467 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCNC(=O)c2cccc(O)c2)cn1 1696850392 GRHSZUBTIKZSCQ-UHFFFAOYSA-N 448.531 2.334 30 10 IEEE CO[C@H](CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(F)(F)F 1697141637 KZIXZXUWZODGMT-IIDMSEBBSA-N 447.458 2.015 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CCCO2)cc(OC)c1OC 1697255512 BLNVFLBSDSUFRD-OPAMFIHVSA-N 443.504 2.269 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1697776226 QBOBALRGTHGXBY-KNQAVFIVSA-N 428.512 2.102 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1705477630 QPKOMTJGAZZBMZ-MNOVXSKESA-N 435.497 2.475 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1705551727 CWCXSKCAJNGQMI-SJORKVTESA-N 444.580 2.377 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCCOC)CC1 1705639526 QFMJKHUFRDEOMX-JOCHJYFZSA-N 439.560 2.348 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705652933 SLKXKTLYMBIOSL-AWEZNQCLSA-N 433.500 2.330 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705698717 XSLQZWNZXVTJRU-PNKHAZJDSA-N 436.509 2.097 30 10 IEEE C=C(Cl)Cn1c(N2CCS(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705760802 SMKUQOKGLOCHHK-OKILXGFUSA-N 429.974 2.370 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705824778 AALMXIZHDMCQMB-KSZLIROESA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705828690 VPAJPZWAWCGMQI-HXUWFJFHSA-N 426.565 2.481 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)CC)C1 1705922396 MEDCZGRYGNPJMD-WAIKUNEKSA-N 438.532 2.134 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1705946384 GSGAWRURCZPPRF-QAPCUYQASA-N 429.546 2.425 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1706744488 MZTSSPSELCUUNF-XFQAVAEZSA-N 425.493 2.002 30 10 IEEE CCC[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1709473478 XNXWZNKAVTYOOT-ZJYNUGOYSA-N 426.525 2.077 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1710238368 FSRQDJCLCQWUSZ-QFBILLFUSA-N 430.578 2.170 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C 1710896640 YZXJFKGCKCREQU-MRXNPFEDSA-N 432.550 2.047 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)c1ccccc1 1712648322 SZRBJBXAMSHYBH-TYPHKJRUSA-N 440.548 2.257 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1712686543 WBFIKNDIXATKMW-OXJNMPFZSA-N 433.509 2.066 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)C1 1712694875 BUJYNICWGDJPCM-INIZCTEOSA-N 445.476 2.132 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1712886492 UZCIHUOVODZSCS-HNNXBMFYSA-N 442.911 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1722277360 MYBJXBWTQUBLBI-LSDHHAIUSA-N 447.561 2.053 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722362836 OZGCFRGTFMBVMH-NJAFHUGGSA-N 444.557 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CCC)OC 1722393434 BPDCURNMZIUSFR-SFHVURJKSA-N 432.528 2.470 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)N1CCOCC1 1722404037 NYQDLGBUZPOJQR-UHFFFAOYSA-N 431.924 2.316 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nccn2C(F)F)CC1 1722435515 JOVYYFKUNQEVMU-UHFFFAOYSA-N 427.459 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CC(C)C)CC2)CC1 1722440191 AJIUKRYKSKHAKO-UHFFFAOYSA-N 440.592 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](OC)C2CC2)CC1 1722449402 RFUYEWOOOHATQK-LJQANCHMSA-N 442.589 2.025 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722460821 ZMOJJSWZYCGOFH-GOSISDBHSA-N 430.578 2.157 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722477129 CBXGEROWNNIYAI-OAHLLOKOSA-N 439.402 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1722503409 CROSZKQOEGMYMS-QRFRQXIXSA-N 427.553 2.197 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1722637139 FMWHZVALZOUDTC-HJPURHCSSA-N 438.532 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(F)(F)F)C1 1722697579 MQFICUPYIMPWPH-LBPRGKRZSA-N 440.426 2.087 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722739489 WDTPNOUZXAUUNI-QZTJIDSGSA-N 439.651 2.164 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(N(C)C)nc2)CCOC1 1722863249 IZTXBSTVDNOAER-VGOFRKELSA-N 427.553 2.424 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCS(=O)(=O)C1 1723185854 BKCHOUBPGUJTNJ-QGZVFWFLSA-N 446.552 2.174 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCS2(=O)=O)cc1 1730187687 AEEOPUKUZIIUOL-QFBILLFUSA-N 447.561 2.429 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740565182 LVMMDYFAPGYFJB-KRWDZBQOSA-N 441.536 2.402 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1740566976 LWJVRWLACKKPCB-RBUKOAKNSA-N 436.626 2.004 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1740618707 JZFPSIFQCAUDKT-IBGZPJMESA-N 428.558 2.171 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740619898 MLPUMZPBKBEHGH-FQEVSTJZSA-N 438.557 2.167 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)C(C)(C)C 1740643346 GDDAJXWXRJZMJQ-UHFFFAOYSA-N 444.557 2.152 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1740671829 PONFMPDYZWLBAV-QUCCMNQESA-N 445.589 2.183 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1([S@](C)=O)CC1 1740689092 ZOZOGGIFPGXRLO-PMERELPUSA-N 425.558 2.278 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1740763796 QELLKHRZLYJXGG-DENIHFKCSA-N 431.581 2.287 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1740769472 MIESRQTZWIRHAQ-UHFFFAOYSA-N 443.577 2.380 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)C1 1740951286 UFVIYYQKATWINJ-QHCPKHFHSA-N 440.548 2.455 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1740961652 GPZKEJNFDWYOGC-UHFFFAOYSA-N 433.472 2.037 30 10 IEEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1740965574 BKEAVWNHFFTIMR-UHFFFAOYSA-N 425.533 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@@H](C)C1 1740994423 NULMLBJWVQEMBW-SFHVURJKSA-N 448.589 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CC2)C1 1741213300 AMNUIHFVIFQGRB-QRWLVFNGSA-N 434.516 2.359 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1741408770 UIBOZOVCWGBQRN-SFTDATJTSA-N 441.532 2.395 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1741802408 IDLFGCSIYSLUPJ-QAPCUYQASA-N 445.545 2.354 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)OC 1744165024 BEJZSNIICPLCDN-MSOLQXFVSA-N 447.561 2.167 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCOC1 1747622867 AABAJJUPVUIKIQ-SFHVURJKSA-N 429.546 2.399 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC(C)C 1748684997 SKRIYZOJTUOPQC-GOSISDBHSA-N 433.578 2.260 30 10 IEEE COc1cccc(OCCCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c1 1748969974 RPUBWIVLIFYDIY-OAQYLSRUSA-N 434.500 2.470 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1748984968 XYUSDNYDZYZTFC-QHCPKHFHSA-N 427.549 2.125 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749026155 GRROCWYBCYZAAZ-INIZCTEOSA-N 443.573 2.421 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749043073 DNEZKVYRSVIZBG-QFIPXVFZSA-N 443.548 2.004 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749106066 WILOVERVHFYWLS-MAUKXSAKSA-N 447.381 2.329 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749222986 OKRPHKHSZMJBQO-UHFFFAOYSA-N 429.525 2.385 30 10 IEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749375379 AZHHRCCXYGMTKY-OAHLLOKOSA-N 443.577 2.086 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1C 1749582240 FLFFNMUWCOHWPX-UHFFFAOYSA-N 443.515 2.337 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1749677391 XRLHQAKNABGELZ-OAQYLSRUSA-N 449.559 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(C)=O)CC1 1749723632 AJNQXZHFMGKBCO-UHFFFAOYSA-N 445.589 2.213 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1750075237 BXIHIVANUMCMFM-BZUAXINKSA-N 430.475 2.031 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1751277891 QAKSMGGXYPZABL-HNAYVOBHSA-N 434.953 2.407 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2NC(=O)CC2(C)C)c1 1760127968 SIKNXRHDEPXXPZ-LJQANCHMSA-N 434.544 2.202 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(F)c1)N(C)C 1760193300 CUGOWWWWJQTBMT-FQEVSTJZSA-N 445.502 2.440 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)c(F)c1 1760202087 SAUAOVXEVWNQJR-UHFFFAOYSA-N 434.475 2.332 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN(C)C 1760227099 UYTRQRDNWQHKIE-UHFFFAOYSA-N 446.621 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(C)noc2C)CC1 1760269760 OGXCRHGFPPEXME-LJQANCHMSA-N 426.521 2.139 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OC)C1 1760279678 IAYXTZDVRSCCIA-INIZCTEOSA-N 448.618 2.220 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760307927 YGSIUDJQPSHIIR-KGLIPLIRSA-N 433.372 2.094 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOCC 1760318082 LPIXHMHLZCRELY-UYAOXDASSA-N 438.536 2.375 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1)C1CC1 1760474002 KQQDMPXGVGIJFQ-QVKFZJNVSA-N 434.537 2.382 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC)C1 1760553889 KZFUTJHGRIKAOU-HNNXBMFYSA-N 435.550 2.233 30 10 IEEE CC(C)(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N1CCOCC1 1760764772 MBXQHIORUNKQMF-UXHICEINSA-N 436.560 2.469 30 10 IEEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)cs1 1762774065 DCLGXIPCIWVUPU-UHFFFAOYSA-N 445.574 2.021 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1763762734 FLDYDZJDDAXUFT-OSPHWJPCSA-N 449.559 2.086 30 10 IEEE CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1764060107 GIMYJAWVDKMXAN-WDSOQIARSA-N 431.585 2.105 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@](C)(O)CCC(C)C 1764919031 BDVGZVWWNXEBFC-HTAPYJJXSA-N 426.569 2.404 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1766428598 HXMIXNZPCQQXLQ-QGZVFWFLSA-N 427.505 2.292 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)CC#N)c1 1769362806 GLVSYUWMLDWNQN-MAUKXSAKSA-N 432.550 2.214 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1770106842 LKKHGHWDUZPDEZ-LJQANCHMSA-N 440.548 2.221 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1770874183 DSDBEXXVWJZCKZ-INIZCTEOSA-N 435.488 2.091 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)N1C[C@H](c2ccccc2Cl)[C@@H](C#N)C1 1851001309 KHHCUWUQAGXJNC-YJBOKZPZSA-N 441.919 2.492 30 10 IEEE Cn1cc(I)cc1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851296076 ZHWIOTNEHBDXLS-UHFFFAOYSA-N 449.192 2.114 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1)CCC2 1851672588 QYCUKVYGWAIJJQ-GOSISDBHSA-N 431.493 2.216 30 10 IEEE CN(C)c1ccnc(N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc2F)c1C#N 1852247880 FZSKMBKOAODBJK-UHFFFAOYSA-N 443.504 2.247 30 10 IEEE CCc1nc(N2CCN(C(=O)c3nc(C4CC4)ccc3C#N)CC2)c2c(n1)c(C)nn2C 1852328545 JNSAXQYEMJDHIJ-UHFFFAOYSA-N 430.516 2.341 30 10 IEEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2)CC1 1853846397 BYMKSJSLHYTADO-ZWKOTPCHSA-N 430.574 2.170 30 10 IEEE Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)c1 1854524719 QFPLLUMETISZPH-UHFFFAOYSA-N 425.510 2.248 30 10 IEEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C1(C)C 1854584563 SOTYZLMSOHXEMJ-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)CC1 1855171880 RIMVIGHEYSSUDY-SFHVURJKSA-N 433.574 2.358 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C3CCN(CCC#N)CC3)CC2=O)cc1 1856150236 SVHHDJWIZSCTMI-IBGZPJMESA-N 431.558 2.023 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cc(F)ccc1F 1856223303 SGOQVAACKOYYGG-CYBMUJFWSA-N 433.436 2.039 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(F)(F)F)C(=O)C23CCCC3)cc1 1856291482 NIPRWLAUPFANEY-UHFFFAOYSA-N 429.420 2.183 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C2=O)CC1 1857068433 NVXSLCGSHQPVOL-GOSISDBHSA-N 427.867 2.309 30 10 IEEE CN(CCC(=O)O)C(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858789102 SFRYGGKWVKYISU-UHFFFAOYSA-N 443.485 2.459 30 10 IEEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cc(CC(C)C)n(-c2cccc(Cl)c2)n1 1860951171 RIOIFDPGVGOFPM-QGZVFWFLSA-N 431.924 2.000 30 10 IEEE CN1CCCc2cc([C@@H]3C(C(=O)c4cccc(N)c4)=C(O)C(=O)N3CCCNC=O)ccc21 1862564806 JHMNHZIKFORMMQ-JOCHJYFZSA-N 448.523 2.366 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccncc2)cc1 1874219877 IXSONNYYBBDLKC-YDZHTSKRSA-N 426.502 2.153 30 10 IEEE CCOc1cc(/C=N/n2c(CCOC)nnc2SCCO)cc(Br)c1O 1874474757 REQODCHLGMEEIH-VCHYOVAHSA-N 445.339 2.300 30 10 IEEE CCCOC(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)c(OC)cc1OC 1874505686 TYFKGNDXRDSPLZ-KEBDBYFISA-N 438.506 2.378 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890261455 LPSMAKKLALIONW-UHFFFAOYSA-N 443.588 2.354 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)NCC#CCN(C)C 1891768065 ADKHYKZDLZWMIB-MRXNPFEDSA-N 449.960 2.480 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 1901227370 QBXIVHAQJDQDRM-ZDUSSCGKSA-N 427.738 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247833388 FSXQCZYYDMZMQW-CHWSQXEVSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2255813701 VTNMCUBVBRQQDP-JLCFBVMHSA-N 429.326 2.120 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258973475 KNUUPQOEOYFXJQ-SJORKVTESA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)C2 2267090853 FYCIUGFTVLPGRG-ZIAGYGMSSA-N 447.345 2.127 30 10 IEEE Cc1c(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267145836 IVWYLMABLHFFLO-UHFFFAOYSA-N 448.373 2.155 30 10 IEEE Cc1ccnc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267151703 ZRVMMKGEKJKMBV-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2267228972 RCUCWEVAULTKBV-MSOLQXFVSA-N 446.353 2.004 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502918 VFYOJPKJBZQCCL-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cc1c(C(=O)N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267513304 MYCTWRUTVHCUFX-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2267560566 FHINOYXJDPWECT-UHFFFAOYSA-N 448.325 2.135 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268711146 QSESSKHRCWXSMU-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2272632301 FFVBUIXAOBNQAQ-WNSKOXEYSA-N 443.353 2.368 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCc3c[nH]nc3C)C(=O)[C@@]12C 2297590968 GDBFEJRROKTPNE-QHCPKHFHSA-N 437.452 2.390 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319729111 ZFESCHUBDFOOGD-CYBMUJFWSA-N 435.334 2.148 30 10 IEEE COc1ccccc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC(N)=O 2328471469 JSHWSQFJMDUUIR-UHFFFAOYSA-N 426.458 2.245 30 10 IEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 2329045197 ZPHBUUCSEMYRSX-OAHLLOKOSA-N 433.534 2.073 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2334270528 UDNLQDUQHKLGNF-OFQRWUPVSA-N 446.357 2.084 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)c1 21318905 CEWFHOLLLMKOHZ-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1OC 23890116 PQWACKURJAIALB-OQQHHNTDSA-N 429.473 2.264 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CC1 27559697 OWNWGAJLYSOEHR-UHFFFAOYSA-N 438.576 2.028 30 10 IEEE COc1cc(N/C(=N\C(=O)c2cccc(F)c2)NCCN2CCOCC2)cc(OC)c1 46135010 URPISHCZUBKAAT-UHFFFAOYSA-N 430.480 2.373 30 10 IEEE COc1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 58996076 XJLRCWDSZFUJEC-LSHDLFTRSA-N 440.485 2.397 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)NN2C(=O)c3ccccc3C2=O)cc1 59074408 PXHYPVLAULXTJZ-UHFFFAOYSA-N 440.525 2.369 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(F)cc3)n[nH]2)cn1 59887425 ASHJNPNDZNETGN-KEBDBYFISA-N 432.485 2.354 30 10 IEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)c1 102748781 DSICMSDCDKFJBU-LAFOYAEKSA-N 428.489 2.027 30 10 IEEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 238817485 BVAIDUZRZRJLKK-WKILWMFISA-N 433.468 2.231 30 10 IEEE C=CCn1c(=NC(=O)c2cc(=O)c3ccccc3o2)sc2cc(S(N)(=O)=O)ccc21 254813887 MBZOUDPKARUMRK-UHFFFAOYSA-N 441.490 2.384 30 10 IEEE CC(=O)N1CCCN(c2ccc(F)cc2NS(=O)(=O)c2cnc(C)c(C#N)c2)CC1 427746582 QVWKVKGZIKUSIM-UHFFFAOYSA-N 431.493 2.260 30 10 IEEE CCOC(=O)CC1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCCC1 434613298 CDMZDGVNAAQGSC-FQEVSTJZSA-N 430.524 2.390 30 10 IEEE CN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCN(c2cnccn2)CC1 435256982 RYYJHARPLHCLNE-UHFFFAOYSA-N 432.406 2.433 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2c3c(nn2C)CCCC3)c(C#N)cn1CCOC 463678858 YZJZULMGXLZNSD-UHFFFAOYSA-N 428.493 2.117 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 473933429 RODZLHQKVRHYRS-KRWDZBQOSA-N 425.445 2.343 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccccc3C#N)c2=O)o1 478846983 YESTZZGVBMYZDK-KRWDZBQOSA-N 445.500 2.171 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1C#N 489820857 WEBDDPNAAGNRHM-MRXNPFEDSA-N 435.303 2.108 30 10 IEEE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 503274646 ZMFBIJZVIRPZAF-CQSZACIVSA-N 433.266 2.113 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 507537753 SJJGPTVRKKEXDW-UHFFFAOYSA-N 431.522 2.067 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 522194457 RMYRVFKVKRYSAF-PKOBYXMFSA-N 441.557 2.326 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 543712118 GVEDFXCDAYFIQI-HSALFYBXSA-N 438.366 2.188 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2Cc2ccccc2)c1 570061580 WYMIQNGRGMKPBV-UHFFFAOYSA-N 441.539 2.266 30 10 IEEE COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)ccc1C#N 577992601 VPMXVVORGNIDIV-HOTGVXAUSA-N 443.525 2.295 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 586273677 JCDDWDPPFTXKAR-LJAQVGFWSA-N 432.483 2.343 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 612193460 LKRGUYYHAXUJKO-AWEZNQCLSA-N 432.492 2.485 30 10 IEEE Cc1ccc(-c2nc(Cc3ccc4c(c3)OCCO4)no2)cc1S(=O)(=O)NCC#N 612892686 PVYUDBZZFZMRTC-UHFFFAOYSA-N 426.454 2.209 30 10 IEEE CC(C)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2ccccn12 726166404 OWGZUQIBPNWXFK-LJQANCHMSA-N 440.529 2.062 30 10 IEEE COC[C@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 730138996 PCSPVEXEFBORJL-KDOFPFPSSA-N 438.569 2.416 30 10 IEEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 741448727 FCRMPZZZPBTPCM-DDUZABMNSA-N 432.546 2.213 30 10 IEEE COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1C#N 746859821 STCVEJBZIZYAMJ-UHFFFAOYSA-N 431.489 2.423 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Br)c(F)c2)cc1 748863800 JEDQOIXOCAGTPU-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2)o1 756920092 NAMVGAVAJXKISX-IRXDYDNUSA-N 441.488 2.414 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 763467965 VSJYMOXQFYYUGN-IBGZPJMESA-N 427.482 2.305 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccn(C)n2)C1=O 765544189 MOJWOVUVISVUDW-SFHVURJKSA-N 428.562 2.010 30 10 IEEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1)c1cccs1 766425364 ZXENOKLTZNAWTD-HCSXLHTISA-N 446.602 2.167 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766434511 RJFVIDGDZLJNLY-ICSRJNTNSA-N 448.527 2.434 30 10 IEEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)c1ccc(C#Cc2ccccc2)cc1 768019887 KPTFRRFJMUDQGV-UHFFFAOYSA-N 426.475 2.448 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cc(I)c(F)cc2F)CC1 772069738 HZPJRSJVFHHNTQ-UHFFFAOYSA-N 432.208 2.171 30 10 IEEE N#CC(C(=O)c1cc(F)cc(F)c1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 772280595 XBIJIRGXXKSWRV-QGZVFWFLSA-N 442.443 2.346 30 10 IEEE C[C@@H]1CN(c2ccc(C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 787054798 XIZWZRSXEHJNBY-SPYBWZPUSA-N 437.456 2.242 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790841667 JJYXGFVYAKNNHU-LLVKDONJSA-N 434.271 2.465 30 10 IEEE C[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)n1cnc(C#N)n1 798350003 CZCYZEJCDNKSGU-KSSSLANASA-N 430.877 2.217 30 10 IEEE CCc1noc(C[C@]2(O)CCCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)n1 856673537 BZEOORFOKRPXSL-OPAMFIHVSA-N 429.496 2.476 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=C(C)c3ccccn3)n2)cc1 1084119889 UYBDXSGEZXARBL-UHFFFAOYSA-N 425.518 2.495 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3ccc(OC)c(OC)c3)n2N)c1 1084605071 JOSRLOLMQNEVFJ-UHFFFAOYSA-N 442.501 2.439 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCN(C2CCC2)C1=O 1132027868 KXUFSSBVCJSNRK-HNNXBMFYSA-N 436.306 2.368 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)c(C)c3)cc2C1=O 1134154917 FFQAWDTWBIAXMS-UHFFFAOYSA-N 427.482 2.280 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1137536945 CWXHRZINKZZDEX-IXDOHACOSA-N 428.537 2.469 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 1141986560 JEQCQTNMORKZQH-KRWDZBQOSA-N 444.475 2.419 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 1152061299 XGPVXKMTIRPIED-HNNXBMFYSA-N 436.555 2.088 30 10 IEEE COc1ccc(Br)cc1C1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1162920893 VZLORTDLJOWCCQ-ZCXUNETKSA-N 434.290 2.480 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cccc(Oc2ccc(F)cc2)n1)c1cc[nH]n1 1165303361 REVLMBSHNGBEHM-UHFFFAOYSA-N 441.419 2.336 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1179424068 ZDAKGFYGISSMBG-UHFFFAOYSA-N 428.510 2.373 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)ccc1Br 1197328695 ATWXIGZWYIAOJQ-UHFFFAOYSA-N 449.374 2.421 30 10 IEEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1213276198 JLLHJSDHJJQVEH-NSHDSACASA-N 436.299 2.472 30 10 IEEE CC#CC[C@H](CO)NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1221968641 ZUXODBMMCRBZBB-CQSZACIVSA-N 431.352 2.075 30 10 IEEE COC(=O)[C@@H]1CC[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1248602794 OWFQUSOFKQHVIC-HIFRSBDPSA-N 428.468 2.039 30 10 IEEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1253134310 QBWGBLINRIYNLN-UHFFFAOYSA-N 432.546 2.152 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1276283399 FYIIWMBGQQABJD-NRFANRHFSA-N 425.510 2.387 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1286419139 NTZPDZWEJOMUGR-NTKDMRAZSA-N 435.528 2.150 30 10 IEEE C=C(Br)Cn1c(N(C)CCCC(=O)NC)nnc1[C@]1(OC(C)C)CCOC1 1286548153 UHZJCWAMMUKVBP-SFHVURJKSA-N 444.374 2.190 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1286618225 XNLUILDGAJKIHT-LEWJYISDSA-N 425.533 2.227 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1286713444 ANKLUFNGQUOHOV-UHFFFAOYSA-N 429.569 2.037 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286789514 HLLIJZAUGZUQQW-RTBURBONSA-N 440.592 2.293 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)C1 1286804029 IEXHOWCXQYXNRJ-INIZCTEOSA-N 446.939 2.057 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1286806417 VDDFQJODZUJDPV-VXKWHMMOSA-N 436.560 2.445 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nnc(C)s2)CC1 1286876161 LEOJMEOKZMEGEZ-UHFFFAOYSA-N 436.545 2.278 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1287787526 CPIDGDUCUYQYCS-SFTDATJTSA-N 442.539 2.094 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)cs1 1290423714 OTSORCKXUITWKX-NRFANRHFSA-N 443.577 2.013 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1 1290799372 JSGNMMSUAJVLGJ-UHFFFAOYSA-N 439.581 2.426 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1)OC 1292185644 RMOGVFQOCNPTTD-IBGZPJMESA-N 448.531 2.367 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)s1 1294646718 YHTHIQPEMXNOOE-UHFFFAOYSA-N 445.570 2.387 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1300267213 GDHDTROYQVJIKC-TZIWHRDSSA-N 438.576 2.256 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1300409084 PDBSWBMPAAAAQD-YADHBBJMSA-N 444.624 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1300512335 WIVHYIVAQUQPGG-INIZCTEOSA-N 448.495 2.444 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1300603676 WMHRDWOJRWTLRS-QHCPKHFHSA-N 425.533 2.048 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC(C)C 1300788609 FYLQGGFLAJWKIA-HSZRJFAPSA-N 441.532 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1300884278 IOCJOQBCYNBRIK-AOIWGVFYSA-N 449.577 2.403 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1301071084 WRFQAOOKGVLQSF-NFBKMPQASA-N 433.597 2.322 30 10 IEEE C#C[C@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C1CCOCC1 1301132381 JJSSJYXDVGNKGC-KSSFIOAISA-N 449.345 2.461 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1301410395 FAMMXQGWHUHMHH-BJLXPSRBSA-N 431.562 2.359 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1301612979 SKPMXGBUQYQSPO-ZWKOTPCHSA-N 440.635 2.352 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)S(C)(=O)=O 1301986081 CPDTWAOBGVUZMH-GJYPPUQNSA-N 429.546 2.420 30 10 IEEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c(=O)n1C 1304356143 BSTRBEBJKMMAMA-UHFFFAOYSA-N 446.559 2.125 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NC[C@@H]3CCCN(CC#N)C3)cn2c1 1306650976 FKMBYHLSODVVPB-INIZCTEOSA-N 426.521 2.324 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312612696 PWEBZSYULQLKGL-BBWFWOEESA-N 437.537 2.019 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1313399998 PKHFPCKBXHHMKG-UHFFFAOYSA-N 430.530 2.312 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C(C)C)cc1OC 1314178699 FSWZRRVOXLRNTF-GOSISDBHSA-N 428.537 2.421 30 10 IEEE CCOCc1nnc(N2CCc3c(C)cccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314356146 OSAQWCSYGYEPFA-QURGRASLSA-N 436.516 2.212 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1314422717 NGPQYKFQOLLARV-QQMHEVNUSA-N 428.537 2.325 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1314861058 TYOGRXINGWFTJR-QGZVFWFLSA-N 449.602 2.353 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1358896212 ZLDOHHRFQOWOCQ-KRWDZBQOSA-N 442.564 2.426 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1358962551 RVNNSCSFHLIRMU-OAQYLSRUSA-N 441.601 2.481 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1 1358983954 CGOGPMJXYDENQL-QHCPKHFHSA-N 439.947 2.485 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC(F)(F)F)n1 1359028577 XAEGAJWUXLIVHE-HNNXBMFYSA-N 426.443 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@@H]1CC 1359091019 IMEODUMCSKMYRC-JCECYMMASA-N 425.599 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359094400 AROKDGUHBJUGOE-WFXMLNOXSA-N 443.523 2.407 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)CC1 1359179346 SJDSQDKPKHMPTK-MRXNPFEDSA-N 449.543 2.467 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1359271007 IMYRJUZJNYOUOZ-OAQYLSRUSA-N 436.560 2.288 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359299634 KFWIZVZEEOJGTR-NHCUHLMSSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1359301818 MAEOAYNLICXVRM-IBGZPJMESA-N 428.968 2.499 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)OC(C)(C)C)C1 1359312490 VWARURSUBUULQQ-INIZCTEOSA-N 436.557 2.112 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1359341424 WSOXRGMEVJQDAL-MRXNPFEDSA-N 446.577 2.278 30 10 IEEE COc1ccc(C(=O)Nc2nn(C)c(C)c2C#N)cc1S(=O)(=O)N1CCCCCC1 1437100714 XPFHJVGZRHDDKL-UHFFFAOYSA-N 431.518 2.426 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 1460770567 YSDQBBZPQUBRNF-CQSZACIVSA-N 431.418 2.134 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC(n3cnnc3O)CC2)cc1OC 1467671135 AIHQLEVKQKDMKH-UHFFFAOYSA-N 431.493 2.385 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](N4CCOCC4)C3)C2)C1 1468182635 VHWKCSYZWSYPRM-SGIJDJSVSA-N 432.565 2.096 30 10 IEEE C=CCC1(O)CCN(C(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1468750200 BHIYPNCVKJUJRC-UHFFFAOYSA-N 431.533 2.421 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c1 1469583359 VNQZNJFNQSVIRW-QZTJIDSGSA-N 447.557 2.164 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc3c(c2)OC(F)(F)O3)s1 1469681343 GKPXGVDALTWNLN-UHFFFAOYSA-N 444.481 2.435 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1 1470662245 GPSDRVLYHYWLJW-OAQYLSRUSA-N 425.510 2.280 30 10 IEEE C=CCC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)C1 1471822316 HBZADFWOPFZUDH-UHFFFAOYSA-N 448.589 2.169 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[C@](C)(C#N)C1 1473662749 LXPLDBLMKJVXMM-OAQYLSRUSA-N 433.578 2.101 30 10 IEEE CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1497175595 QUIIZGNREGNIDD-NQYYFHDYSA-N 446.577 2.057 30 10 IEEE CCN(CCCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1502184365 VJAAYVHXIOJCHH-SFHVURJKSA-N 440.570 2.044 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503255735 BYMHVRPPALIXOB-IBGZPJMESA-N 440.529 2.157 30 10 IEEE N#CC1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1505320510 LHMVVELYTLGYLV-GOSISDBHSA-N 431.491 2.436 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cn[nH]c1 1507544298 ZYANDAQNSFFOAL-FQEVSTJZSA-N 432.576 2.067 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2nnc(C)s2)c1 1507551030 UESPIPBXZLVHNY-MRXNPFEDSA-N 437.529 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1507644414 HEHCDTPONJDYNH-UHFFFAOYSA-N 442.541 2.002 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1507686772 GUNDIOWGSUVSKO-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507968224 QITYTCIQNUCZHK-AWEZNQCLSA-N 447.540 2.192 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](OC)C1 1508147720 BMXXKFGMNCPURC-QGZVFWFLSA-N 440.953 2.336 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1510289227 CXMNGFDKVQODFH-QHCPKHFHSA-N 440.523 2.387 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513035645 DTNDSFMHTWCDFW-DPPKGPFUSA-N 429.569 2.096 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1516004889 BLIAMLNMZYCTBP-UHFFFAOYSA-N 434.479 2.251 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517223975 HBZVQCSGACGGCV-DPPKGPFUSA-N 428.537 2.467 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3cccc(Br)c3)CC2=O)cn1 1521060565 IJPPZVQCLDEQGS-WMLDXEAASA-N 446.305 2.026 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccnn1C 1521200489 PXMAJSWQPDOBQN-QGTPRVQTSA-N 436.299 2.396 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(F)c(F)cc2I)CC1 1521310372 VTZYLMIZNZMWHX-UHFFFAOYSA-N 434.180 2.488 30 10 IEEE Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c(C#N)cc1N(C)C 1524356940 NWFAMKZLOUYDLB-OAHLLOKOSA-N 429.521 2.339 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 1527438014 JGMMEEXTCQRCAW-UHFFFAOYSA-N 429.546 2.204 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1532549333 DUWHCZUIKFRVHA-UHFFFAOYSA-N 427.526 2.173 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1538965375 OMUDBEYZURFDHB-OAHLLOKOSA-N 426.912 2.001 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1539132053 BRONRLHDPRKUGF-UHFFFAOYSA-N 426.565 2.185 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(-c2ccccc2)c1 1539285003 YCXQTKRVLCWLMV-UHFFFAOYSA-N 427.512 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(OC)c1)N(C)C 1539312504 RJUWKDJGWPRUES-JOCHJYFZSA-N 431.544 2.453 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(NC(C)=O)cc2)CC1 1539453902 UBGXRFWCLVZXFS-UHFFFAOYSA-N 443.555 2.220 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1539538764 MUPNIVRVXMSIIJ-WIYYLYMNSA-N 436.626 2.002 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1539744900 ZXWHRRNBGBPJOE-NRFANRHFSA-N 438.576 2.453 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539801923 LRXDIFGSGXUCPO-CVEARBPZSA-N 433.944 2.322 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540036656 QPOPBZHDBJREAY-FGZHOGPDSA-N 446.640 2.370 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1540857516 CGDQRBDXHJAVCV-LJQANCHMSA-N 425.533 2.258 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1540871791 UGVUFGHZKCGOLB-UHFFFAOYSA-N 442.539 2.157 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)C1 1540887148 QRZJDQCWAOGLFF-KRWDZBQOSA-N 439.969 2.319 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)C1 1540894701 CXWMVBKFVINXMO-HXUWFJFHSA-N 432.528 2.387 30 10 IEEE CC(C)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541372370 WSAQNIHMJFRCKS-DPPKGPFUSA-N 428.537 2.181 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@H]1C 1545057972 CHNGSDDJVSWZLV-ZIAGYGMSSA-N 436.438 2.499 30 10 IEEE COCCn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555565540 GAENAYLJXOSXOV-UHFFFAOYSA-N 437.573 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1nnnn1CC1CC1 1556295652 DYEJRNWBXBJELV-IBGZPJMESA-N 437.504 2.105 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1556454103 RZCRYVPUAJHDQS-GOSISDBHSA-N 436.965 2.007 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2cc(F)c(C#N)c(F)c2)C1=O 1567951096 HGLSGPASPVAYBS-QFIPXVFZSA-N 442.422 2.237 30 10 IEEE C=CC1(CC(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CN(C(=O)OC(C)(C)C)C1 1568939329 OZTKBQGDPYZLSE-UHFFFAOYSA-N 427.498 2.486 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1 1585691833 CUUKLFNPJPNSKY-VGOFRKELSA-N 447.557 2.118 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1587842984 YDMWQAZNAYWDJQ-HXUWFJFHSA-N 435.576 2.277 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588029052 CUVIJQVONNMJAD-RTBURBONSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1588064548 KEIKKRBTZUEOTP-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064657 MNBXGFKHRXVUDJ-PZJWPPBQSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1C[C@H](C)O[C@@H](C)C1 1588124349 JNEOUYODOGZDDH-ROUUACIJSA-N 444.539 2.468 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCNC(=O)c1occc1C 1588155757 XOLBTSVPACNNFI-UHFFFAOYSA-N 436.541 2.428 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1589216727 WBTWCHOOMMBYRV-GHTZIAJQSA-N 430.530 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1589530804 YBTXUNSWDPXDFG-HBFSDRIKSA-N 439.564 2.457 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1593887163 XFGAKUHQXZKONN-IRXDYDNUSA-N 436.988 2.104 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1594521441 NQUFDEFUVRSPCZ-LJQANCHMSA-N 430.597 2.161 30 10 IEEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1594692993 MKRQVBJYPVGIAN-SFHVURJKSA-N 431.504 2.315 30 10 IEEE Cc1ccc(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)cc1B1OC(C)(C)C(C)(C)O1 1595201631 AVLGQGSNUTZVGF-UHFFFAOYSA-N 441.337 2.242 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)C)CC1 1595335707 ZDMIUBXOIXUHJK-UHFFFAOYSA-N 432.594 2.302 30 10 IEEE O=C(N[C@@H](CO)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(F)n1 1595486418 BWRNLDMHVARBRX-AUTRQRHGSA-N 445.335 2.337 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1596590951 GEPSCOVQUHSXGV-UHFFFAOYSA-N 436.545 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3cccc(C(N)=O)c3)C2)C1 1611011208 HUEHAHHEVORMRU-FRIYVGAWSA-N 426.517 2.231 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)CNC(=O)c3cccc(Br)c3)n[nH]2)c1 1611701797 DDLJWZUGMMSWHP-UHFFFAOYSA-N 425.246 2.474 30 10 IEEE Cc1nnc(N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1612575148 RPFKWIXCNBWPJZ-REXPTHTOSA-N 425.320 2.133 30 10 IEEE C[C@](C#N)(NC(=O)Cn1cnc2c(cnn2-c2cccc(Br)c2)c1=O)C1CC1 1614768851 SFRBEKVYNNQHKF-LJQANCHMSA-N 441.289 2.153 30 10 IEEE C#C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)c1ccccc1 1622280654 OGIZQKSGKPMWIE-HBMCJLEFSA-N 428.510 2.316 30 10 IEEE C#CCOc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1624395257 SKMRZKAFCLWMEM-SEYXRHQNSA-N 433.508 2.228 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)c2ccccc2Br)c1 1629868745 KAGBNBCVFXZTEU-MRXNPFEDSA-N 441.278 2.349 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2(c3ccc(C#N)cc3)CCC2)CC1 1639188874 BCTUYOIERUFPAD-UHFFFAOYSA-N 441.557 2.495 30 10 IEEE COC(=O)c1ccc(N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c(C#N)n1 1642182589 DXJIIUQAZMOXKS-MRXNPFEDSA-N 428.514 2.243 30 10 IEEE C#Cc1ccc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 1643334763 FOABMAATYNATCV-OTWHNJEPSA-N 425.485 2.323 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(-n3ncc(C#N)c3N)cc1)CCS2 1646598626 BVECNKUSQLCMBT-JERHATOGSA-N 425.514 2.273 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 1647774764 PJPFGGJTDALLHO-SJLPKXTDSA-N 448.589 2.047 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]2CCNC(=O)[C@H]21 1650930726 GBUCSAWHGGXOEC-GUYCJALGSA-N 436.306 2.225 30 10 IEEE C[C@]1(C#N)CN(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCO1 1654932753 OQNUVVFWQSEYJO-KRWDZBQOSA-N 431.846 2.017 30 10 IEEE CCc1ccccc1[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)NC(=O)OC(C)(C)C 1655537511 VQWSCXHBHPFEOG-KRWDZBQOSA-N 427.505 2.196 30 10 IEEE C=CCc1cc(CNC(=O)Nc2cccn(CC(=O)OCC)c2=O)cc(OC)c1OC 1669895776 HSNJODXFSWWCSA-UHFFFAOYSA-N 429.473 2.479 30 10 IEEE COc1ncc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1C#N 1680425700 CQRRYYOJDKLJLE-UHFFFAOYSA-N 433.465 2.076 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)n1 1683503812 BUJKADPCZWMUJJ-LJQANCHMSA-N 425.533 2.209 30 10 IEEE CCON(C)C(=O)CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1686961635 PLFZIGODHBFIJZ-OCAPTIKFSA-N 427.292 2.209 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1 1689892834 NXJYCEFURHXQNR-LJQANCHMSA-N 433.622 2.438 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(CC)CC)N1CCOCC1 1689972576 ULJHALVTBFDPIE-NRFANRHFSA-N 427.597 2.346 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCCC1=O 1690047024 KOHRBSMXRWKLFG-QFIPXVFZSA-N 431.540 2.416 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CCCO1 1690047725 XNXKFMBCEQQOMM-DEOSSOPVSA-N 433.560 2.484 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1690087012 GXYVOTHUVVPXJR-CALCHBBNSA-N 428.541 2.190 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690342144 BRCLFIKLFQNWSW-OAHLLOKOSA-N 434.903 2.456 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CC1 1690411417 LXHMGIKGINBPNG-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1698132977 AGBUYILAPFIVOS-IIBYNOLFSA-N 436.532 2.235 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1698222736 VBAFZXKDLMOJDR-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC1CC1 1705478181 XPBKSHPFXBRRMT-IRXDYDNUSA-N 445.589 2.492 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(OC)C1CC1 1705546268 HBFFLGKKNPNKST-OAQYLSRUSA-N 430.578 2.431 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC(C)C)nc1 1705547377 FPZCEOBFQAPAKN-UHFFFAOYSA-N 429.488 2.221 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1705563293 URWMTWYBGQFRRQ-INIZCTEOSA-N 437.953 2.047 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(=O)N(C)C)CC1 1705640247 KQTLAWQCHTYBLN-UHFFFAOYSA-N 428.968 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OC)c2)CC1 1705650165 NHAUZRIHVMIPBR-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705828213 GKTGGUWJHWVCPB-OAQYLSRUSA-N 425.581 2.149 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705895168 WFFNNJPBEZKTLS-HKUYNNGSSA-N 440.548 2.453 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Br)n2)C1 1705913920 BDQGRQVKFHGQFX-OAHLLOKOSA-N 449.353 2.403 30 10 IEEE CC(C)N(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C(C)C 1706562580 GEPMIZBFTBCFAB-IBGZPJMESA-N 436.626 2.429 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1712454268 CZQVVXUWWUBUGK-LJQANCHMSA-N 448.531 2.044 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NCCC 1722285835 ZKLGKEITKRFUAT-HNNXBMFYSA-N 430.940 2.236 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722301464 BOBBXARZOQZRCJ-RTBURBONSA-N 445.589 2.213 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722369303 XLJBMOWUVFCCMD-UYAOXDASSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](OC)C1CC1 1722376408 NRTRNFZJEWMKGJ-GOSISDBHSA-N 440.573 2.044 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1722437830 JBGRUUXCBKPETF-UHFFFAOYSA-N 427.553 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC(C)(C)O)CC1 1722449552 UMDSIDVLLMDJKT-UHFFFAOYSA-N 439.560 2.004 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1722554292 DABIUWRKFXKJQA-JKSUJKDBSA-N 444.001 2.065 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1722623302 CRLZXVKTJHRJEZ-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCOCC2(CC2)C1 1722732419 YXKWRDZXWSLVQO-UHFFFAOYSA-N 446.573 2.383 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCCC2=O)CCOC1 1722865160 YZAFTZSWBWTZGU-GCJKJVERSA-N 432.569 2.317 30 10 IEEE COCCOC1(Cn2c(Cc3ccncc3)nnc2N2CCC(C#N)CC2)CCOCC1 1730883866 RZLQOTXIICXJOX-UHFFFAOYSA-N 440.548 2.216 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCCO)CC1 1731185101 QHWRDYNNZUPBRL-IBGZPJMESA-N 425.537 2.276 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)CN(C)C1=O 1740613309 BZVXNJUTIKHNFE-IBGZPJMESA-N 432.322 2.167 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740621955 QURGWUXDIPCPDU-IBGZPJMESA-N 438.557 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)(C)C 1740646688 IJFJYPIVHCRBIJ-HSZRJFAPSA-N 429.565 2.086 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC(O)CC1 1740666432 PPIFXXLQVQLVOY-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(CC)noc2C)CC1 1740706705 ZWRUVOMVKHISJE-FQEVSTJZSA-N 440.548 2.393 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740749866 GNCPRSPRYHQTFY-UHOSZYNNSA-N 427.553 2.473 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740794271 VMSDBFZVBPEMCV-UHFFFAOYSA-N 436.516 2.412 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC12CCOCC2 1740937018 QOPNJEXLSYWFEG-QGZVFWFLSA-N 426.521 2.381 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1740988821 QIAHYCGVNPSTTK-INIZCTEOSA-N 429.546 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740992493 HLECRFGRCWOCHC-OALUTQOASA-N 431.562 2.013 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741609805 JUPSYVZPIVDDDB-FQEVSTJZSA-N 438.580 2.106 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1741754932 LQZHKAKZCVBZSD-NZQKXSOJSA-N 441.532 2.252 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 1743093962 CVXTVJBXOFWAMV-ROUUACIJSA-N 444.605 2.418 30 10 IEEE CCCCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1745489110 AOFJXORKPJLDDK-CEXWTWQISA-N 436.626 2.431 30 10 IEEE CCCN(CC)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1745601995 QXDKGQUQIDISAV-VHEBQXMUSA-N 429.550 2.397 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COCCOC)C1 1748077027 QHKBUSDOXBYESZ-GOSISDBHSA-N 440.548 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748897164 VTZAEPINSYIBTO-OAQYLSRUSA-N 444.514 2.210 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1748979174 XEBRBCKBEJMTSY-SFTDATJTSA-N 434.588 2.490 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749040023 JKKSWIFZTZJLCQ-QGZVFWFLSA-N 436.578 2.388 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCC(C)C)CC1 1749245937 VMUJAXMETVLCLF-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749726842 GTYAKJHSMOMUFE-BEFAXECRSA-N 448.545 2.136 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1750030461 MVMXMNZXROTDIM-OAHLLOKOSA-N 449.481 2.416 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1750793568 UJEAEQMRKLGWEW-SFHVURJKSA-N 432.569 2.220 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCC2)c1 1760201803 JOOHUAFBNJWOGV-HXUWFJFHSA-N 430.512 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1c(F)cccc1F)N(C)C 1760208556 FLSTYSJTLXZUGH-LJQANCHMSA-N 442.514 2.460 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C2CC2)CC1 1760254931 QEXNHTNVLKSYJP-SFHVURJKSA-N 447.381 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C)COC2)CC1 1760270995 HQWNDZPEZLVAHO-UHFFFAOYSA-N 437.544 2.168 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1760279938 BQTAQSZFEITYRW-LJQANCHMSA-N 435.638 2.333 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1760431146 FOJYFABCJUFJKF-UHFFFAOYSA-N 437.953 2.063 30 10 IEEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1760474593 ZXEVPDTULDMMGA-AZUAARDMSA-N 430.597 2.270 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)CCC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1762421060 HACUVRKKVABNHE-MRCUWXFGSA-N 440.552 2.148 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC[C@@H]1C 1766408166 VISLOWIYAIUJPA-HKUYNNGSSA-N 425.537 2.080 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)C1=O 1769055147 SIXXHHFPCBUEMI-HSZRJFAPSA-N 433.516 2.337 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)CC1 1770753277 FFORRAHENQTXDX-SFHVURJKSA-N 429.546 2.389 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cc(C(F)(F)F)nc(SC)n1 1852503742 UKNTWLWWXZSLCN-NSHDSACASA-N 438.497 2.408 30 10 IEEE CN1CCN(c2nc(NC(=O)c3ccc(Cn4ccnc4)cc3)c(C#N)cc2C#N)CC1 1852703302 GUJHPNPJLHQDBA-UHFFFAOYSA-N 426.484 2.074 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCCC3)cc1F 1853691605 ORLFANYLRIOAJP-UHFFFAOYSA-N 437.493 2.200 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862683029 NMVILLHFUYTHHO-GOSISDBHSA-N 443.387 2.154 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862704333 XMZWMUBBVFBHQJ-LJQANCHMSA-N 439.424 2.318 30 10 IEEE CCCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868795306 JZQKRLHWSGBTLI-RBUKOAKNSA-N 447.605 2.034 30 10 IEEE C#CCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870561252 FMQCNTOUFIJYDO-UHFFFAOYSA-N 430.508 2.331 30 10 IEEE C=C(I)C[S@@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1881442042 JEAGRHOYZWKLQJ-AMXDTQDGSA-N 437.255 2.063 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(n3nccn3)CC2)[C@@H]1c1ccc(C#N)cc1 1892111025 IEMYASNKLXPXLH-LEWJYISDSA-N 438.557 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060636308 WOBXUFIVVGSWAC-PMPSAXMXSA-N 435.374 2.136 30 10 IEEE N#C[C@](N)(Cn1ccnc1CCCN1C(=O)c2ccccc2C1=O)C1(Br)CC1 2085675323 ZVYHZCHYUFOKQC-FQEVSTJZSA-N 442.317 2.260 30 10 IEEE C#CCn1ncc(Cl)c(NCCC2(OC)CN(C(=O)OCc3ccccc3)C2)c1=O 2167649353 RQZCLWVLXTZYKI-UHFFFAOYSA-N 430.892 2.370 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216449005 HYVLHIJFJONINR-ZMPRRUGASA-N 439.553 2.027 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216458248 DXIJJUXZLYPAKB-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247862673 FPSVLPWEVQEYNE-KBPBESRZSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](O)C1 2254790851 DIIGQHXGISEUNX-GJZGRUSLSA-N 437.321 2.302 30 10 IEEE CC(C)[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256061330 JZPCPANEKQEGTJ-AWEZNQCLSA-N 434.346 2.055 30 10 IEEE C#CCN(CC(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256598277 ODUCCZBERZVOEP-CQSZACIVSA-N 449.382 2.490 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256927891 OJEMBIAOBMSPTM-JKSUJKDBSA-N 437.321 2.106 30 10 IEEE CC1(C)C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267099838 ODGBXZCYQQUWPH-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC1(C)C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2267142002 OCPJESBPTOVQCC-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267181585 ULAHYBZYTIQOIQ-HNNXBMFYSA-N 447.316 2.425 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2267182404 GFCQFOIPNVRZOG-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c1 2267218956 APZAECOWGCAMGK-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267226249 YNWKKQMIEQJVMJ-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267479593 NRQCFIKYGORQQJ-CRAIPNDOSA-N 443.353 2.462 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1NC(=O)OC(C)(C)C 2267503102 XVHXDHSGPJXGIS-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267603627 AFSMFVDISSZNMX-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268641302 MXMVTEFTBPAEMA-RLFYNMQTSA-N 448.369 2.437 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271392532 DUDCUAGRPFQDTH-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C 2337323439 IDYXBSIIFNXWKG-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343638594 FYRARPGEVXGGJZ-SJORKVTESA-N 449.332 2.410 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367793783 DPJOIFCHSCPSLB-ZJOUEHCJSA-N 435.542 2.134 30 10 IEEE C=CCn1/c(=N\C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 13794443 NYQIODGKCHWMFP-XEXOPBTESA-N 439.559 2.147 30 10 IEEE Cc1c(C(=O)OC(C)C)sc2ncn([C@@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c12 16893182 UIUCUGFSUZRBJR-NSHDSACASA-N 428.474 2.137 30 10 IEEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1nnc(C)s1 20830942 KILRGTWRSBQFGO-UHFFFAOYSA-N 427.519 2.148 30 10 IEEE C=C1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)COC(C)=O 96030792 DEFOZIFYUBUHHU-GDJYEYDESA-N 432.488 2.387 30 10 IEEE in-vitro CC[C@H](NC(=O)c1cc(Br)ccc1I)/C(N)=N/O 234053439 YICCPNDYPNGJEM-VIFPVBQESA-N 426.052 2.309 30 10 IEEE O=C(Cc1cccs1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254701026 OYWBCXJSNRFLAO-XJKSGUPXSA-N 436.536 2.321 30 10 IEEE C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)n1cnc(C#N)n1 409462486 GNCDWKKAOBWALL-LLVKDONJSA-N 432.412 2.428 30 10 IEEE Cn1cc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)C2)cn1 445132638 IKGGQEIRNHDKLS-KRWDZBQOSA-N 427.940 2.446 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(F)ccc2OC)c1=O 461341605 FXONOUQUQWIFOG-UHFFFAOYSA-N 438.480 2.472 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 465489357 RRORHROKSOOHBT-UHFFFAOYSA-N 442.541 2.398 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC(=O)N2C(C)(C)C)cn1 480248395 DBJKVPIVCOEBLA-UYAOXDASSA-N 446.515 2.258 30 10 IEEE CCOC(=O)COc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486160116 BNIQLOWIMGXCDQ-HXUWFJFHSA-N 436.468 2.423 30 10 IEEE Cc1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)cc1S(=O)(=O)NCC#N 489139037 NNVRYXXQLAABQW-UHFFFAOYSA-N 426.420 2.183 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 498676489 RHIKQQZWXWXMOT-IFMALSPDSA-N 449.546 2.118 30 10 IEEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)Nc1ccccc1OC 507539646 ZATYQSCCXZACBH-UHFFFAOYSA-N 442.497 2.464 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)CCCc3ccccc3)CC2)c1 513787988 IYTKCJAKRUAKMS-UHFFFAOYSA-N 425.554 2.499 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCCO2)c1=O 531684310 CWWVFPWYLWTRNO-CYBMUJFWSA-N 432.567 2.277 30 10 IEEE CC(=O)N(CCc1ccccc1)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 536417780 ZTUKYOBQWHMYOZ-NRFANRHFSA-N 436.537 2.489 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C1=O 539645152 JIBGTPGWPDYQCO-UHFFFAOYSA-N 436.255 2.403 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)n1 546168545 JQHCZDAFMQVTJY-UHFFFAOYSA-N 439.541 2.090 30 10 IEEE Cc1cccnc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCCO1 549497051 ORPRUKTZYMYFKJ-LJQANCHMSA-N 430.516 2.421 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549697781 SAGDEAJKZOAASZ-UHFFFAOYSA-N 444.967 2.155 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@@H](C(=O)OC)c2ccccc2)nc1C 586303691 NHUBLUMLUBQXAZ-BCOMRZATSA-N 436.511 2.396 30 10 IEEE CN1CCO[C@@H]([C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 586863840 BONATPVYZWJRTQ-WOJBJXKFSA-N 444.894 2.155 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 685542918 OIFMRMQNSKCWRZ-IBGZPJMESA-N 441.561 2.456 30 10 IEEE N#CCS(=O)(=O)Nc1cc(I)cc(I)c1 690423454 WDWSNJSBXWLXPV-UHFFFAOYSA-N 448.023 2.161 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727414918 DSXOQTUYWRVNMH-UHFFFAOYSA-N 429.448 2.190 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(-c3ccccc3C#N)c2=O)cn1 732562905 OBVYDYIJSLHMMG-UHFFFAOYSA-N 445.548 2.495 30 10 IEEE Cc1ccc(-n2c(N3CCOCC3)nn(CN3CCN(C4CC4)[C@H](C#N)C3)c2=S)cc1 732672992 RLOTVSBAKLDOJZ-HXUWFJFHSA-N 439.589 2.178 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 733129068 WIMAXQSLVOWFCR-JWGURIENSA-N 438.491 2.468 30 10 IEEE C#CCCNC(=O)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 733673207 RRJWPCBCGFECAT-SFHVURJKSA-N 443.500 2.321 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)N[C@H](c1ccccc1)c1cccs1 741339283 DGHKTIJWRDPPPY-SQYHMDOVSA-N 439.493 2.413 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1C#N 747498170 MUZQZSSUGQCHIK-UHFFFAOYSA-N 434.374 2.114 30 10 IEEE CSCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 751833069 XCEJUDIGYQTUPI-UHFFFAOYSA-N 446.557 2.306 30 10 IEEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 754456759 QQZFGDLRMHLTHQ-UHFFFAOYSA-N 447.561 2.375 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](c2cccnc2)C2CC2)C1=O 758088934 HHZYXFOLMLEZJM-IEBWSBKVSA-N 437.525 2.399 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1Cl 761075416 WTAYFVFHYJQQNQ-LBPRGKRZSA-N 426.820 2.137 30 10 IEEE C#CCN(C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774188019 RJEJMEFQUYXVEO-LEWJYISDSA-N 445.585 2.003 30 10 IEEE CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br 774766543 SPZMSZPODBXELV-CQSZACIVSA-N 441.351 2.077 30 10 IEEE C[C@@H](CN(Cc1ccccc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 776607072 IWHYDYFTFCOAAY-INIZCTEOSA-N 443.525 2.255 30 10 IEEE C[C@H]1CN(c2ccc(C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 787054796 XIZWZRSXEHJNBY-KHYOSLBOSA-N 437.456 2.242 30 10 IEEE CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 789919211 FRSSNGFQUMMHMM-KGLIPLIRSA-N 428.436 2.101 30 10 IEEE CCOCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802605823 NCEAQLYFAJUQIA-IBGZPJMESA-N 438.532 2.319 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC=C(c2ccnn2C)CC1 804200195 ZQWNZVYCQYSRTG-SFHVURJKSA-N 441.557 2.189 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 805782437 LMDDSEWLXBDLQV-IBGZPJMESA-N 435.553 2.218 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 808243415 JFOQZLCQPJOHOV-LJQANCHMSA-N 439.438 2.290 30 10 IEEE C=CCOCCCC(=O)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 810730744 PCPDGYTUGZLHAH-UHFFFAOYSA-N 425.232 2.284 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 812754849 DLCIOAFGFQDJBS-MRXNPFEDSA-N 425.279 2.357 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 916775493 UPSSMCVAURQXPR-KRWDZBQOSA-N 429.473 2.196 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 1132451337 BEXBFRMGJYIVQL-INIZCTEOSA-N 441.509 2.355 30 10 IEEE COc1cc(N)c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1S(C)(=O)=O 1136161457 MXVOBLREJCRLEI-AWEZNQCLSA-N 438.303 2.438 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3cnn(CCOC)c3c2)s1 1136426507 BRPOJJWNDMFKRC-UHFFFAOYSA-N 434.543 2.390 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)c1C 1141349454 VPVAJOAKEAXMTK-UHFFFAOYSA-N 426.542 2.263 30 10 IEEE CCOC(=O)[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 1142417256 OROXNMGPUCWFLY-FQEVSTJZSA-N 428.510 2.011 30 10 IEEE CCOC(=O)c1cc(OCC)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1154109580 FGPUYYYVRZTYRT-AWEZNQCLSA-N 445.497 2.439 30 10 IEEE COC(=O)C1(C#N)CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 1163286714 CEQYIEBNMYRJOJ-UHFFFAOYSA-N 436.490 2.053 30 10 IEEE N#CC1(C[C@H](O)CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)CCOCC1 1169072448 JKDNVIROYSUQEK-KRWDZBQOSA-N 428.493 2.055 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)c1cccc(C#CCO)c1)OC2=O 1178246066 VURVCWCRLRDXNM-LJQANCHMSA-N 442.512 2.093 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)CC2)c(F)c1 1229809283 AMMKAUOFSKGJSF-UHFFFAOYSA-N 446.523 2.132 30 10 IEEE CN(c1cccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c1)S(C)(=O)=O 1256270216 RDTOGSIVQYXHMV-UHFFFAOYSA-N 441.557 2.376 30 10 IEEE N#Cc1cccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1Br 1276480451 AIPWWFYBMHJNKE-UHFFFAOYSA-N 439.269 2.331 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cccnc1OC 1286467202 NQILXEBEPMEJAU-FQEVSTJZSA-N 435.484 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1cccs1 1286469347 SKQXQGAGXOTCNH-NRFANRHFSA-N 428.562 2.195 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286510428 SASWXOCUUCJXQO-SJORKVTESA-N 443.548 2.325 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1286563732 QUNDZBWDAUDYAE-UHFFFAOYSA-N 431.562 2.368 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1286713555 BYBZGZMSRGINML-XMMPIXPASA-N 439.560 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286781233 PNNKJYBTGGVIGV-INIZCTEOSA-N 428.512 2.195 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNS(=O)(=O)CC)C1 1286802816 WNCOLCXDTXOOBU-KRWDZBQOSA-N 445.545 2.412 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC(OCC)C2)C1 1286810350 PTRCSKCHPMWRNF-CXUOOODFSA-N 438.594 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286822704 NSPGILRAUYLUST-GOSISDBHSA-N 437.610 2.107 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286832946 RKVUMHWKHARYOX-IAGOWNOFSA-N 445.593 2.099 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 1290860953 JUJZVBRIVNAJPJ-UHFFFAOYSA-N 433.551 2.219 30 10 IEEE CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1294656182 FUMYOODVRRUUKO-OALUTQOASA-N 434.610 2.042 30 10 IEEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(=O)/C=C/c1ccc(F)cc1 1295187539 QULGXRQPCYHLRB-NYYWCZLTSA-N 425.460 2.342 30 10 IEEE Cn1cc(C[C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C2)cn1 1298826664 PXFPXGHRCQZSOF-LJQANCHMSA-N 435.532 2.018 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 1300130180 COMNWBWOXRLSDR-NSHDSACASA-N 444.307 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1csc(C)n1 1300520427 JRNUXPXMAYFBRC-UHFFFAOYSA-N 429.513 2.001 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCS(=O)(=O)c1ccccc1 1300541062 LEGYECVAHGPXIG-UHFFFAOYSA-N 433.537 2.201 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1300613247 CGWSKUJOXDAPAC-UHFFFAOYSA-N 430.530 2.001 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CS(C)(=O)=O)cc1 1300642764 UBANLWSSDFSMIC-PMACEKPBSA-N 446.573 2.055 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300666249 YSVQIRKZLFQIIO-SFHVURJKSA-N 437.466 2.294 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1300692477 GWINEYMUHSOLJF-IBGZPJMESA-N 441.580 2.200 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300726278 MSKDDXMSRRLXHR-NRFANRHFSA-N 449.477 2.256 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300844769 SIRAOBAIHLQPAQ-ZIAGYGMSSA-N 439.314 2.350 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1300980621 KRJJYKBMFSPEEQ-INIZCTEOSA-N 429.521 2.257 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1300991110 PKUDGYILDFPMLL-RTBURBONSA-N 438.594 2.026 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1301000685 WTPXTBHUKFYUDO-FQEVSTJZSA-N 443.548 2.018 30 10 IEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1301188799 NRYKPKPXTIWRTO-FQEVSTJZSA-N 441.532 2.442 30 10 IEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301251954 KBNGSTZXKXZDHH-LJQANCHMSA-N 432.569 2.450 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301482790 ZVTLEZYNXAJTME-TZIWHRDSSA-N 438.576 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1 1301575554 IMRIEEVJGNXXQD-GOSISDBHSA-N 429.546 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC=C(C)CC1 1301586894 VGGFIGHZRZGZRC-UHFFFAOYSA-N 440.529 2.351 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1 1315057111 XYZQEFLGGJZAJG-UHFFFAOYSA-N 445.531 2.175 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCCO2)C1 1321325033 MWIIVGZMBKIAOM-IAGOWNOFSA-N 446.577 2.199 30 10 IEEE Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cccc1N1C(=O)N[C@@H](C)C1=O 1324208154 LBWAGXMTSWQLDY-HOCLYGCPSA-N 431.452 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC=CO1 1358981213 AZBPJMGVXKBZIQ-XMMPIXPASA-N 444.583 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N(C)C 1358987639 NLYDFUVTWIYNFZ-UHFFFAOYSA-N 444.333 2.267 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1359000240 QBCBYXOSNHNFTN-KRWDZBQOSA-N 444.967 2.042 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(F)ccc2F)CC1 1359038285 QEGSIMUJHYPGLA-UHFFFAOYSA-N 425.487 2.221 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359125817 UQCTUMXYCWMDPV-GOSISDBHSA-N 427.553 2.354 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OCC3CC3)c2)CC1 1359159124 NRUMZQXWAAUPBN-MRXNPFEDSA-N 446.577 2.277 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1359292565 SHLPXKBMWLJKRQ-UHFFFAOYSA-N 442.907 2.393 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)c1C#N 1435914687 ZDIPHMKUIAFWPC-SFHVURJKSA-N 443.552 2.226 30 10 IEEE Cc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)N2CCOCC2)cc1 1441921349 YSKAWJXQHOYURU-OAQYLSRUSA-N 445.516 2.235 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1=O 1448521606 SFZXBNWLJXDCTK-HXUWFJFHSA-N 444.576 2.259 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2cc(OC)c(OC)cc2C1(C)C)c1cc[nH]n1 1455247636 DVJRNKFHIYWCGM-UHFFFAOYSA-N 444.488 2.031 30 10 IEEE CNCCCc1n[nH]c(NC(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1C#N 1457527762 PKXGDYFQCYDLJI-UHFFFAOYSA-N 439.520 2.374 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)n1 1459758979 NTUOVMKBTIUNBP-UHFFFAOYSA-N 436.472 2.267 30 10 IEEE CNC(=O)[C@H]1CCCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1465065270 JGLMIWQJZGHQHM-PKOBYXMFSA-N 426.517 2.377 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F)S(C)(=O)=O 1502179328 CURXQXKBLBEDNG-UHFFFAOYSA-N 444.483 2.487 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C 1502251265 IECQQSRXYSTECI-IRXDYDNUSA-N 442.589 2.313 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccco1 1503476018 CDWHXFBSKDFXMH-QHCPKHFHSA-N 434.500 2.409 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2csc(C(C)(C)C)n2)cn1 1503652807 HGJHJEKSDCWWTE-MRXNPFEDSA-N 426.550 2.404 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1504437240 AZTSIJYCROBHOV-PKTZIBPZSA-N 438.532 2.474 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(C)c1 1507642035 NZFWHSFKNHZBKQ-VWLOTQADSA-N 449.555 2.130 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1(S(C)(=O)=O)CC1 1507670392 KACMEBDGWSWBCA-UHFFFAOYSA-N 432.496 2.187 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1507732495 WAHSXYTXOJVHFP-KRWDZBQOSA-N 432.475 2.320 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCOC1 1507998288 DQTYSWNYEUJOAG-XMMPIXPASA-N 447.543 2.355 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1 1508080915 TUASYXWOSVHQCG-UHFFFAOYSA-N 448.350 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)C1 1508127877 WZJQABJVUOFENU-WOJBJXKFSA-N 425.533 2.302 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2nc(C)no2)C1 1508129848 FOOZGZGTQZLUNP-SFHVURJKSA-N 426.525 2.245 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1508545457 AFCSKFBKXWQKGQ-FTHOYRMOSA-N 428.537 2.008 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1508995360 FBDSQFKHERZWOM-MRXNPFEDSA-N 446.552 2.174 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1512543605 AGZNSJMABDZUCI-GOSISDBHSA-N 440.548 2.065 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1515581756 ZMLZNJCFUMFSGC-CYFREDJKSA-N 435.576 2.463 30 10 IEEE CCOCCC1(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC1 1516660410 UKBAJNUPOLMBLY-UHFFFAOYSA-N 426.569 2.424 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1517072959 CFURKYWGFPWJNB-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE CN(CCc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517270262 RLCJMXBGSHGKGF-MEUCICPISA-N 442.545 2.049 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1523770995 JHRRGFBYHRTIRU-UHFFFAOYSA-N 429.274 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1538974579 UEJDJJDVQCBROC-RYUDHWBXSA-N 429.468 2.006 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1539119492 JUOKSOVTVNNSKL-OAHLLOKOSA-N 448.545 2.387 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1539147173 CUNAVCXHXWGUEL-HZPDHXFCSA-N 435.525 2.051 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1539391204 BDUZXACNQICNRW-IBGZPJMESA-N 444.532 2.306 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCOC(F)(F)F)CC1 1539430766 NJMQPJFOBSJWFP-LJQANCHMSA-N 445.486 2.000 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](Cc4ccccc4)O3)CC2)cc1 1540728484 JGOBZKXUUPEYCI-IRLDBZIGSA-N 439.537 2.181 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)c(Cl)c1 1540874108 VFMRMVYIYVRROV-UHFFFAOYSA-N 434.903 2.132 30 10 IEEE CS[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555833326 QYRCZKNBCMWJIT-IDCNUPLLSA-N 448.618 2.383 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)c1 1557360155 FQKYNNJIKRTZRU-UHFFFAOYSA-N 435.546 2.023 30 10 IEEE N#CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C(F)(F)F 1558443586 ZLVRIODHOXOYFG-DGCLKSJQSA-N 439.481 2.248 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1558791713 JNLJUMIKFJIZGY-UHFFFAOYSA-N 435.546 2.234 30 10 IEEE C=CCCn1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nn1 1560718704 CQNYYNJPHWUJHX-UHFFFAOYSA-N 425.924 2.376 30 10 IEEE Cc1nc([C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2cnn(C)c2)no1 1561601890 BBNUKHLQNKXZCY-AWEZNQCLSA-N 426.380 2.070 30 10 IEEE N#Cc1cccc2c1CN(C(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1586394888 NXRPDOQNWDLPDS-UHFFFAOYSA-N 425.510 2.054 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(S(C)(=O)=O)CC1 1587878795 HEBFELOTPPGNHN-UHFFFAOYSA-N 440.573 2.166 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588040409 MPUHFHXQHJWGOC-NHCUHLMSSA-N 440.569 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1([S@](C)=O)CC1 1588093152 CWFRVAOSTSYKKR-SANMLTNESA-N 434.363 2.030 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1SCCc2ccccc21 1588139767 RAYWEMOCEJZLOR-UYAOXDASSA-N 440.594 2.284 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O 1588660694 YMOHSSHVAUGFBZ-GOSISDBHSA-N 434.537 2.061 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)C(C)C)CC1 1588913566 NDKSGCUOINMHPC-DEOSSOPVSA-N 439.560 2.327 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1593873175 SGPAIWMYIYYLLJ-UHFFFAOYSA-N 449.943 2.388 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1594784349 XOSMKTAOKUDLBP-QGZVFWFLSA-N 448.568 2.210 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCn1cncn1 1595070757 LOFBMGUMVQUOFO-UHFFFAOYSA-N 436.520 2.007 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 1595509597 JVYAWEUQCMVZED-LJQANCHMSA-N 429.908 2.431 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)cc1 1595614128 NWJSGIYWGDZRCP-IBGZPJMESA-N 425.533 2.454 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCOCC1 1613314005 FFPTUVRNIACQGM-LJQANCHMSA-N 438.580 2.107 30 10 IEEE COC(=O)Cn1ncc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c1C 1616946304 PHGQYICOFCYUJG-FAGJFJLWSA-N 431.493 2.090 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H]([C@H]2CCCO2)C1 1617306203 LJSYMKMFLVNANG-DEPWHIHDSA-N 429.492 2.483 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)nn1 1622927377 NYPNYIJTJHXCNL-LYBHJNIJSA-N 445.549 2.379 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)COc2cccc(Br)c2C#N)C1 1626830878 ULKYLVNYWZQGLV-KBPBESRZSA-N 438.322 2.089 30 10 IEEE CCn1c(CCC(=O)NOc2cccc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 1631983360 RCEPJCZGZHKLJO-UHFFFAOYSA-N 441.513 2.221 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)n[nH]2)c1C 1632501160 NRLUZPXPBJVUBI-MAUKXSAKSA-N 444.536 2.176 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1638311383 KWJPLHJBTHLTGO-UHFFFAOYSA-N 445.523 2.132 30 10 IEEE Cc1nc(=NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)n(-c2ccc(C#N)cc2)[nH]1 1638366850 HDBKARPZIJASJP-KRWDZBQOSA-N 428.493 2.126 30 10 IEEE COc1cc(CN(C)C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)sn1 1639457649 DQAFDRZGPQHNQF-OAHLLOKOSA-N 436.559 2.264 30 10 IEEE COC1(OC)CC2(CN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C(C)C)C1 1640317019 RUIAKNVKZOJZES-KXBFYZLASA-N 449.573 2.140 30 10 IEEE CN(CCOCCNC(=O)OC(C)(C)C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1644105088 BMSILXYXUVXWOI-UHFFFAOYSA-N 442.520 2.156 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@@H](c2ccc(Cl)cc2)C1 1647959174 UFFAIMRVYVLTMS-GOSISDBHSA-N 446.960 2.332 30 10 IEEE N#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1654207776 DLLNMDGZIBOKMM-LJQANCHMSA-N 440.569 2.298 30 10 IEEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)ccc21 1654782606 AMPXUXIZBYNOIS-GOSISDBHSA-N 446.511 2.112 30 10 IEEE COC(=O)Cn1cc(CCN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1654968784 UAWMBPZMQSUECM-NXEZZACHSA-N 436.303 2.096 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 1657073114 KDLQJVTZFZKXMG-UHFFFAOYSA-N 443.525 2.120 30 10 IEEE C#C[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)C1 1658029451 VHJNWSCPJJMKAX-GOSISDBHSA-N 448.589 2.431 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(N2CCOCC2)cc1 1659568215 ZNSVXSMZLNQOIE-NRFANRHFSA-N 439.585 2.430 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cccc(CN4CCOCC4)n3)C2=O)cc1 1673558779 DOGLLUWMHOWJOQ-FQEVSTJZSA-N 434.500 2.103 30 10 IEEE CCOc1ccc([C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C(C)C)cc1OCC 1681924757 DDCADAAYUMDBQQ-IBGZPJMESA-N 443.504 2.314 30 10 IEEE COc1nc(N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)ncc1Br 1683452563 RMYJNWQOLOEZOA-UHFFFAOYSA-N 437.323 2.213 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)C1 1684083790 YGDKNIWRKUEXEI-HXUWFJFHSA-N 427.593 2.410 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)CC2)c1C#N 1685438037 OEJCYUAKCNGUFL-KRWDZBQOSA-N 445.568 2.077 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1689947352 FKPNGMPIZCDDJG-GCJKJVERSA-N 445.589 2.135 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)NCC)cc1 1690052572 LPICGAKFPJNDAM-UHFFFAOYSA-N 443.555 2.401 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)NC2CCCCC2)CC1 1690144083 LHLWOSSSGFMXGK-UHFFFAOYSA-N 440.592 2.350 30 10 IEEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690415061 VWPRVXKXXGNBQZ-HSZRJFAPSA-N 444.601 2.405 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1conc1COC 1690524073 YZKFJERDHVMVDV-UHFFFAOYSA-N 435.488 2.480 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCCO1 1693782202 CMOROBMUEPOPBE-FUHWJXTLSA-N 429.546 2.257 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1696940296 HWLLBLPAKWZCCR-KRWDZBQOSA-N 436.545 2.182 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C2CC2)c1 1697306881 FAJCJTVZKPWGNK-QRWLVFNGSA-N 426.521 2.174 30 10 IEEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705528574 LADNDYVYJYNUKF-HXUWFJFHSA-N 441.532 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1ccco1 1705578586 YNLAYBFHFFKCSQ-UHFFFAOYSA-N 433.468 2.058 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@H](C)CCC 1705611019 MUVCNZCREFYBEL-QGZVFWFLSA-N 449.559 2.204 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(CC)C2CC2)CC1 1705640280 MDEWUGZMEPEOBU-UHFFFAOYSA-N 428.531 2.387 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1705705863 MDFVEWDNJSDKKE-LEDOBFOHSA-N 441.580 2.083 30 10 IEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705754777 FXDQMPGUYWTHAZ-CJNGLKHVSA-N 426.926 2.412 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc32)CC1 1705762912 LGGMSVBWKVFLOV-MSOLQXFVSA-N 444.605 2.496 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1705877568 AHYRPCGMMFTKSA-VQTJNVASSA-N 425.533 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@H]1CC 1705930605 QVDKYOSHPZBYGE-JKSUJKDBSA-N 432.550 2.151 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1705939309 CIXCOSLPYHRUQL-UHFFFAOYSA-N 449.602 2.301 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1706072067 CBPHXZXHRWCFBD-INIZCTEOSA-N 439.545 2.235 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1712453141 CCPVBTZRZGHSRH-UHFFFAOYSA-N 425.562 2.232 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C[C@@H]1C 1712478606 BWESPDBJYJOQDB-HNNXBMFYSA-N 438.561 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(C)cn1 1722278270 KQZZRFPMEMCMIE-INIZCTEOSA-N 440.577 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC1 1722284115 YWDBMDMRTMKSNT-SFHVURJKSA-N 444.605 2.139 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN(CC)C2CC2)c1 1722308542 CEPFJAJYHYQPFP-IBGZPJMESA-N 436.560 2.323 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccccc2C)CC1 1722429665 PXDKFZJBIZYCRX-UHFFFAOYSA-N 436.560 2.047 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722436880 MRASRIGYYPLGBF-QZTJIDSGSA-N 432.569 2.188 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(OC)CCCCC2)CC1 1722447686 LYFKCKGFSRUTPO-HXUWFJFHSA-N 443.592 2.487 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722451984 AARGOTOWXZFWGF-UHFFFAOYSA-N 446.621 2.012 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1722485204 YREUWGBPVKGSKF-AWEZNQCLSA-N 428.331 2.359 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1722629219 NJNKOCOWEMFDPI-UHFFFAOYSA-N 442.539 2.459 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCCNC(=O)OC(C)(C)C 1722871663 ZWPNCBUVVOEDHU-MRXNPFEDSA-N 433.557 2.301 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)CC1 1724010015 LOIDCEOMGPMOQX-INIZCTEOSA-N 446.552 2.241 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1727011151 XRURDVGQVFNAOZ-VGSWGCGISA-N 425.537 2.190 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCC[C@H]1OC 1729066415 DFSHZXRCBDDCLS-RBUKOAKNSA-N 425.537 2.223 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCCO 1729409272 CJKMRLPKCIPEHP-IBGZPJMESA-N 431.562 2.241 30 10 IEEE CSCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cc1 1731085251 CCQIYHYFOFEAEU-GJZGRUSLSA-N 436.607 2.395 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCNc2ccccn2)c1 1731178731 HBIQEMJXJWSKLD-UHFFFAOYSA-N 430.516 2.416 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@@H]2CCCO2)CCO1 1731187334 NNLNJFDYXVIGTM-PMACEKPBSA-N 429.496 2.322 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1c[nH]nc1C 1740547354 SMKDVMXFKVSSDT-HNNXBMFYSA-N 430.516 2.314 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740622991 MIBNQEZGYPHZJZ-POAQFYNOSA-N 445.589 2.336 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1740626428 XKWGHLGGTMJKBC-LJQANCHMSA-N 428.558 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740646035 OYUVOHXFPLBQDA-RBUKOAKNSA-N 431.606 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(CC)noc2C)CC1 1740706706 ZWRUVOMVKHISJE-HXUWFJFHSA-N 440.548 2.393 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1740719905 UFBMWYLYHNOQBV-SFHVURJKSA-N 425.558 2.055 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740863557 AQOWLKHMIZPZEH-ZWKOTPCHSA-N 437.610 2.230 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1748800367 WZEWDPBTMLRYPA-UHFFFAOYSA-N 427.983 2.185 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccccc1)N1CCOCC1 1748803088 OBFWRVFMMAFDLF-BDTNDASRSA-N 439.560 2.145 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1c1cnn(C)c1 1748896926 PRDJDRQCUASZIT-HXUWFJFHSA-N 448.600 2.499 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCS1(=O)=O 1748913369 SVPAMQSDPSZDPE-UHFFFAOYSA-N 438.557 2.297 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1748918540 JHJMIJPCSZGOKG-UHFFFAOYSA-N 427.530 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749018683 DHSGXHVBRMLSAN-PMACEKPBSA-N 444.624 2.148 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 1749136852 SVHDNPTUZKBLBM-GHTZIAJQSA-N 446.573 2.382 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1749139449 FKJAGUSQLQVDHJ-FUHWJXTLSA-N 439.626 2.417 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749260690 VUNDMGREMQDSBF-UHFFFAOYSA-N 442.951 2.277 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1749368809 QVGLKGKNUBKPRQ-QZTJIDSGSA-N 440.610 2.413 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749386383 DKQHBKGSPHLMPD-IBGZPJMESA-N 440.548 2.455 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1749649796 BDJKXVUHIMDUDT-UHFFFAOYSA-N 434.903 2.245 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](COC)C1 1749736453 JIERVSCKWHPEEN-GOSISDBHSA-N 433.578 2.118 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@@]2(CCOC2)O1 1752321748 RIMKESISPFPYIC-VGOFRKELSA-N 443.573 2.317 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1CC 1760110206 BMFHCDRIIMZWRU-MRXNPFEDSA-N 445.531 2.183 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760180753 KPULFXXUTOHGEJ-HLAWJBBLSA-N 443.617 2.397 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760184471 ISGXUGGMIIIXIF-FQEVSTJZSA-N 441.557 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)CN1CCOCC1 1760198804 JISCZELTGBCNGI-IBGZPJMESA-N 437.544 2.003 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(C(=O)NCC)CCC2)CC1 1760263120 OMUXMROABWMIIE-UHFFFAOYSA-N 434.588 2.125 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760281464 NBEITIHZKQWKGB-QGZVFWFLSA-N 442.545 2.383 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760319854 QBYCJOLEUKDOKJ-LMMKCTJWSA-N 431.562 2.335 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2)CC1 1760452668 QKXNAYZBJYMGLO-UHFFFAOYSA-N 430.597 2.448 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1760565425 WZTJFOSYUCYKIA-MRXNPFEDSA-N 428.566 2.019 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1769593575 ABPYUJQWERLHJD-YTQUADARSA-N 431.562 2.034 30 10 IEEE COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1OC 1770211876 FFVBINHPWUZGMR-NRFANRHFSA-N 441.467 2.195 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1770877610 VKDDSQLTINAWNQ-NRFANRHFSA-N 437.435 2.353 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CN1CCCCC1 1854500047 NHGAVNOANRBROZ-UHFFFAOYSA-N 431.558 2.341 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnccn1 1854529784 QFDDUCJDEFMTPF-INIZCTEOSA-N 426.498 2.325 30 10 IEEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(O)c1Cc1ccccc1 1858575991 LTJVJSIMNLZDPE-UHFFFAOYSA-N 449.536 2.464 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN1CCN(C)CC1 1870337460 GVYUPLQGGDQWKK-UHFFFAOYSA-N 440.544 2.198 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCCCCO 1870477314 DOPMRHZCAAGDDR-UHFFFAOYSA-N 436.549 2.143 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)nc(Nc2ccc(OCC)cc2)[nH]1 1871529159 LAXHBQGFVGGRCL-UHFFFAOYSA-N 439.564 2.358 30 10 IEEE COc1cc(/C=N/N=c2ccc3nnc(C)n3[nH]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1873792898 SARLJRYJKRNZOY-WSDLNYQXSA-N 447.411 2.437 30 10 IEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 1877185502 FZCDZPXLGJOBAL-LLVKDONJSA-N 426.315 2.330 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 1879109157 KYUYSYDRQMXUOB-LBEPJEHYSA-N 446.353 2.020 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC(COc3ncccc3C#N)CC1)CS2 1891162597 VBXUWUZQLAEZLO-SFHVURJKSA-N 439.541 2.481 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 1902435475 LFQFRBGSZRGXOG-YTQUADARSA-N 436.574 2.393 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1992857952 GCERVPDFEYBPNH-HRCADAONSA-N 427.542 2.190 30 10 IEEE COc1cc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2[C@@H]2COC(C)(C)O2)ccc1C 2033814598 WUUWCHDRLBOBAZ-ZFWWWQNUSA-N 431.470 2.417 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060624836 COGGJIGOPVFPLB-SJORKVTESA-N 432.326 2.464 30 10 IEEE CN1C[C@@H](C(=O)Nc2ccc(Br)cc2C#N)N(C(=O)OC(C)(C)C)CC1=O 2181148817 WUEDLYQJCQYMPU-AWEZNQCLSA-N 437.294 2.337 30 10 IEEE C=CC1(NC(=O)[C@@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2242690729 GPOXGHSOAMUWRE-GJZGRUSLSA-N 425.526 2.039 30 10 IEEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2247880889 NFHRWDZWTWTMES-CQSZACIVSA-N 440.371 2.177 30 10 IEEE CC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CN(C(=O)OC(C)(C)C)C1 2247917251 DBXJHCVILGPNFB-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248404384 MEORFFGUZXMKBE-GFCCVEGCSA-N 441.359 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](c2nc(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255593603 AQPPQXBXYMJXMJ-CYBMUJFWSA-N 431.302 2.102 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255657268 MNUGVNPGVMINFY-GJZGRUSLSA-N 432.326 2.390 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2255707385 VNSIBVUILYAJNH-VYDXJSESSA-N 431.342 2.442 30 10 IEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255751633 CODRLYKWSTYUAQ-UHFFFAOYSA-N 445.346 2.350 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837487 QCMIERUSACZVMF-GZBFAFLISA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256667339 ZTHGOBTXFGSULP-HNNXBMFYSA-N 438.305 2.339 30 10 IEEE Cc1c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998569 ZUVZNTYKIQGDSV-SHTZXODSSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267092881 YSPQBAXQBLCREL-CQSZACIVSA-N 446.357 2.038 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267125751 IHBKBTNVEHYMGR-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cn1cc(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129595 CUJIYGGMBVQPGA-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2267274270 XZZDQMGFLJEPEV-CRAIPNDOSA-N 443.353 2.462 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267512900 RIEQIXOARBZTTL-KBPBESRZSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)o1 2267551175 JEWCUTPQRQJBIQ-UHFFFAOYSA-N 448.285 2.281 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267596731 QDZQPEUEOKIDPX-NPMXOYFQSA-N 443.353 2.368 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273775837 RGDGBXLEBFXHAV-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@@H](O)C#Cc1cccc(Br)c1 2278733047 PNOBDSMDZCRXQU-HOTGVXAUSA-N 444.347 2.099 30 10 IEEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2296295938 IOEZHOPCRJDIQQ-FUHIMQAGSA-N 439.350 2.433 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2310283511 DLUGORKJWIVQKD-FPCVCCKLSA-N 436.358 2.297 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H]2CCOC2)n1C 2315600002 YDNJMYHYHWRACQ-GOSISDBHSA-N 425.338 2.459 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccn1C 2328980210 FADOEANUVLQOTP-INIZCTEOSA-N 445.593 2.184 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc2c(c1)OCCO2 2331569513 JVDDCNBOCYKUNH-UHFFFAOYSA-N 443.485 2.079 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339302776 QQGPDUIIRVERQP-VQIMIIECSA-N 443.353 2.497 30 10 IEEE NN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1cc(I)ccc1Br 2342538845 XUBHEVVEWVEVQB-RFVSLCSESA-N 433.087 2.454 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH]nc1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2352400092 HCGWAXIVYYJDKG-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE COc1ccccc1NC(=S)/N=C(\NCCN1CCOCC1)Nc1nc(C)cc(C)n1 14158218 ICNSBZHAZWMKLP-UHFFFAOYSA-N 443.577 2.189 30 10 IEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cn1 59830048 PGGKODKSAGUBHX-DNTJNYDQSA-N 431.913 2.205 30 10 IEEE CN1CCC(NC(=O)c2cc(Br)c(Br)s2)(/C(N)=N/O)CC1 128572983 DPPOCDADXGIATQ-UHFFFAOYSA-N 440.161 2.214 30 10 IEEE COc1c(Br)cc(/C=N/Nc2nncc(=O)[nH]2)c(OC)c1Br 169898529 VJGNAGXHAXXBCE-SYZQJQIISA-N 433.060 2.153 30 10 IEEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccsc3)c2=O)=C(C#N)[C@H]1c1ccsc1 254645560 OTAXFTAHIYIILJ-OAHLLOKOSA-N 441.559 2.024 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccccc4OCCOC)CC3)cc2C1=O 426763646 CSXPYCWQRNCCSN-UHFFFAOYSA-N 449.507 2.456 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)N[C@H](CC)CO)cc3)cc2C1=O 427949020 WYUWFYIRNNSWPM-QGZVFWFLSA-N 435.480 2.151 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1 437827581 FXQGNJBSOHAFNF-UHFFFAOYSA-N 435.528 2.068 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CC1 441100160 HHRMTVQNHBXOJO-UHFFFAOYSA-N 434.500 2.216 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nc1C 465006354 GERWLNPDYIECGQ-OCCSQVGLSA-N 443.533 2.271 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 481465458 KBUDIXDRBUPCLM-WIYYLYMNSA-N 440.569 2.396 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2c(cc1C#N)CCCC2 484138198 OLSIVWQHVGAARE-UHFFFAOYSA-N 440.525 2.414 30 10 IEEE Cc1ccc(-c2csc3ncn(CCC(=O)N4CCN(C(=O)CC#N)CC4)c(=O)c23)cc1 503623542 DKAAUKFLCNXUAD-UHFFFAOYSA-N 449.536 2.408 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 505496477 SMZZZZVONSFZCB-QFIPXVFZSA-N 449.573 2.398 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508490572 CHLPWEBJCHDTFC-MRXNPFEDSA-N 428.968 2.497 30 10 IEEE Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 510174955 ZLQKHFDHFXQYNK-UHFFFAOYSA-N 435.509 2.199 30 10 IEEE Cn1c(N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c(C#N)c(=O)n(C)c1=O 513098863 MXKFNIWTDQMRBY-HNNXBMFYSA-N 426.521 2.236 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)c1 522717196 OLHVBIUHONCXSD-IBGZPJMESA-N 427.526 2.267 30 10 IEEE N#Cc1c(CCCNC(=O)C(=O)Nc2scnc2C2CC2)nn(-c2ccccc2)c1N 534254837 DOWOXRGMIUGQLE-UHFFFAOYSA-N 435.513 2.348 30 10 IEEE Cc1csc2ncc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)c(=O)n12 537341678 DNRGAQJIUHXOHS-OAHLLOKOSA-N 425.495 2.090 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 540692019 PXXISYUOPBCJKG-UHFFFAOYSA-N 428.514 2.383 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542959880 XTYOKXXCQQADRA-ZDUSSCGKSA-N 436.925 2.190 30 10 IEEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)NCCc1ccc(Cl)cc1 585673944 ZWYJRRDUJBHIPC-OLQQUCHKSA-N 426.860 2.072 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)cc1 603797633 LDEOVJKJMYGSNM-UHFFFAOYSA-N 445.544 2.342 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)c(F)c1 727417283 HCQXDZLWUYVDFW-UHFFFAOYSA-N 441.484 2.059 30 10 IEEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)c(Cl)c1 730141408 JVKUVSUFFSVXTD-OAHLLOKOSA-N 430.933 2.125 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cscn2)cn1 730724689 RQXRMEXUUBSHKW-AWEZNQCLSA-N 442.530 2.310 30 10 IEEE N#Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)ccc1N1CCC(O)CC1 743733505 SBMWNHVUBYKIAT-UHFFFAOYSA-N 433.556 2.276 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CCC(=O)N2C)cc1 744144713 VTQFBSYJHIMWLK-WIYYLYMNSA-N 441.509 2.290 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)c1 746639810 GYBVZCQISNMKMR-IBGZPJMESA-N 425.554 2.335 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCSc2nnc(-c3cccs3)n2CCC(N)=O)c1 753939103 KHFWZVBOYMVTQM-UHFFFAOYSA-N 447.567 2.320 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(-c3ccccn3)c2)c1=O 758090252 OQAFWGWTKBYEKC-UHFFFAOYSA-N 425.513 2.477 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCOC[C@@H]1C[C@H](O)c1ccco1 763436214 JHGPGOBPQPVYGV-ICSRJNTNSA-N 444.532 2.369 30 10 IEEE Cc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n1C 774259174 DXQRWDGUEUMQFV-CQSZACIVSA-N 447.245 2.003 30 10 IEEE N#C[C@H](Cc1ccc(F)cc1F)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 774325711 YQFSRVPDMSEUGQ-HNNXBMFYSA-N 439.396 2.219 30 10 IEEE CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Br)cc1 784127225 WWFIJFJWZBBVJL-AWEZNQCLSA-N 427.368 2.468 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1 789321195 TYGRIDHKUXAQIF-QZTJIDSGSA-N 426.517 2.002 30 10 IEEE Cc1nsc(N2CCN(C(=O)/C=C\c3cc4cnn(C(C)C)c4[nH]c3=O)CC2)c1C#N 793446071 YQJDEWFEKZEYFA-PLNGDYQASA-N 437.529 2.304 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1c(C)nn(C)c1C 800776133 AKYNZIJFCVUDTD-UHFFFAOYSA-N 443.577 2.368 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1C#N 804039793 ZOEZKZTXRVYEJV-UHFFFAOYSA-N 430.505 2.135 30 10 IEEE Cn1ncc(CCCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 814704732 YOXGKMKBXCGHJH-KRWDZBQOSA-N 430.509 2.187 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(F)F)cc1F 814708083 DGXAHABFXHQOJH-HNNXBMFYSA-N 446.495 2.489 30 10 IEEE C[C@@H](F)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 814710253 ONVCKSVPJRRGLA-CXAGYDPISA-N 438.525 2.163 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)Cn1c(O)nc2ccccc21 917275262 QXUPAQPEJLSDMM-UHFFFAOYSA-N 439.472 2.250 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)c1 1083877728 PRKPFJHHIQMAKN-UHFFFAOYSA-N 441.473 2.351 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)COCCc1ccc(Br)cc1 1127138202 DYFITMHNRJRYLO-HNNXBMFYSA-N 444.333 2.407 30 10 IEEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C)CC1 1134042720 AGFRADZDNONMFA-UHFFFAOYSA-N 431.602 2.350 30 10 IEEE N#Cc1c(F)cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1F 1135537916 HHBKYHCSLOCPIH-UHFFFAOYSA-N 425.388 2.249 30 10 IEEE C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccc(C#N)cc1 1136181997 GVBOSZZMHFKUTE-VLQPXKRTSA-N 447.557 2.406 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)CCCN1C(=O)OC(C)(C)C 1158572926 DFZUYCNFKBPVHN-IVZQSRNASA-N 430.505 2.414 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1160610029 PYSYVNBTMRFTJD-ZWOKBUDYSA-N 435.571 2.324 30 10 IEEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccnn1C 1171500456 AMIPJEXUDDPVIT-HXUWFJFHSA-N 438.463 2.281 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)CC1 1199351035 WBMWIZQDBAINIK-NQIIRXRSSA-N 448.589 2.399 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ncc(Br)s2)C1 1233852524 LHJGNCJECVEQQL-ZJUUUORDSA-N 430.328 2.464 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](COC)C1 1286340036 SSLQDRDDEOVYDZ-KRWDZBQOSA-N 431.562 2.082 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1286348689 NJGMMARJSRNUNA-UHFFFAOYSA-N 433.516 2.489 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)C[C@@H]1C 1286510042 HPHNVZCIYLYWDU-KRWDZBQOSA-N 443.573 2.289 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286514558 KTSHZIHMZYEHRN-FHWLQOOXSA-N 449.621 2.110 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286701037 QNJMABDNTJQADZ-AWEZNQCLSA-N 428.518 2.183 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C)[C@H]1C 1286782843 AXJLTYNKIIRYQF-HUUCEWRRSA-N 429.546 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1286817540 NHVNJXGKAJIQAC-SFHVURJKSA-N 443.573 2.435 30 10 IEEE CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1287159528 CFEVLWNUZKLOOK-MOPGFXCFSA-N 430.578 2.016 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)nn(-c2ccccc2)c1N 1290748301 SLKNPEHCFYVOGY-FQEVSTJZSA-N 442.523 2.424 30 10 IEEE CCn1cc(C(=O)N[C@H](C#N)C2CC2)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1293117094 POTZSQGMYOPMQA-GOSISDBHSA-N 427.936 2.459 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCc1cccc(OCC#N)c1 1293360663 BKEVIIJSGZYPHD-VJUNAUMWSA-N 435.402 2.191 30 10 IEEE C#C[C@@H](C)N(C)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1297186317 IAFPAOZVUPRNJC-GFCCVEGCSA-N 426.311 2.229 30 10 IEEE CCOCCOCc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1297625474 SYKXWYHAILJLIO-HXUWFJFHSA-N 449.515 2.065 30 10 IEEE COc1cc(C)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c1 1299826808 BZMJITHPXXZNIX-MRXNPFEDSA-N 446.577 2.384 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](Nc3ncccn3)C2)C1 1299886022 KKJHJSVLLLGAEL-INIZCTEOSA-N 427.306 2.260 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2nccnc2C)c1 1300334772 SUCFHCUIFRYEKU-IBGZPJMESA-N 445.527 2.179 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300400338 DWBYQPZDUZSBQC-NRFANRHFSA-N 429.528 2.102 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1300411747 WMQZWQFDAYYZPG-QGZVFWFLSA-N 432.546 2.247 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300496900 VYTBVTJIXUZKQR-LJQANCHMSA-N 430.574 2.469 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300528427 WEEALIPQILENAS-LJQANCHMSA-N 446.477 2.375 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1ccsc1 1300675922 WWTXHQKFLIUFIV-NRFANRHFSA-N 428.562 2.195 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1300790204 MMDDKBLYFLXKRX-YZZKKUAISA-N 426.517 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C 1300816431 NZQDMGXRWJVIBF-NLSFWIRASA-N 426.517 2.398 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1301351382 RIUUFMGGDRVYME-IBGZPJMESA-N 443.523 2.363 30 10 IEEE COCCOCCn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1302237542 FSXPMSYVQZHCJD-UHFFFAOYSA-N 426.565 2.432 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCOC3)n1CCCOCC(F)F)C2 1302990193 WVTXVYNMSXLXLZ-AWEZNQCLSA-N 448.474 2.379 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1303204120 GBPOTYLWKPGEEZ-COPCDDAFSA-N 438.576 2.381 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1303641549 CRXMTTNJEMUAHL-HNNXBMFYSA-N 433.607 2.057 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1313475331 DMCDSYFFSYJLEH-OAHLLOKOSA-N 432.912 2.252 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1 1315040109 AJEBBXBSKOBGOL-UHFFFAOYSA-N 425.518 2.000 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1316387656 NKUDYYAETRKMCD-BTYIYWSLSA-N 426.546 2.197 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2coc3c2C(=O)NCCC3)cc1 1355744231 JINCWIBTMBTYBH-QJOMJCCJSA-N 430.486 2.021 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nnc(C)s1 1358885280 GQKGKPJSAUYFDJ-AWEZNQCLSA-N 448.556 2.443 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1359240166 HLJOFGSJAHDKLU-QGZVFWFLSA-N 434.562 2.452 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1COCCO1 1359243026 ATDIORVRMABGRS-QFIPXVFZSA-N 440.592 2.071 30 10 IEEE N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1443607056 COQWCWKPLCZOEY-NHCUHLMSSA-N 434.544 2.171 30 10 IEEE C#C[C@H](C)NC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1448156425 NHGZTEZUSDJKPV-VIFPVBQESA-N 444.273 2.100 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1449101441 GJZFOQFOLUNCEZ-OLZOCXBDSA-N 429.867 2.402 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC2(CCc3ccccc3O2)CC1)c1cc[nH]n1 1453709195 FQXWMCWKSWWFHX-UHFFFAOYSA-N 426.473 2.080 30 10 IEEE COC(=O)CN(CC#N)C(=O)c1csc(I)c1Br 1456746813 FOQWDEWCZVBGIH-UHFFFAOYSA-N 443.060 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C[C@@H](O)CC2(C#N)CC2)C1 1459778846 JBFXMWIQGLOKKZ-GBESFXJTSA-N 434.581 2.269 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2C(=O)OC[C@@H]2C1 1465793423 RHVZFBUXNYTIQG-FUHWJXTLSA-N 426.473 2.056 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1465832924 NSXUSCBENVOOBK-IRXDYDNUSA-N 442.988 2.177 30 10 IEEE Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCN(C(=O)CC#N)CC1 1465872190 FSJVYUXYVHKHJT-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C 1469245507 CZTFXXSELNGGOX-IRXDYDNUSA-N 435.546 2.281 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H](F)C[C@H]2C(F)(F)F)CC1 1473893351 OELIHDXNRRGHDR-WFASDCNBSA-N 441.385 2.430 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(OCCN(C)C3CCOCC3)c2)C1 1477757076 ZLGXSAZVRLLANB-OAQYLSRUSA-N 428.577 2.073 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1492911609 MBJWGFVYYHFOIY-KFKAGJAMSA-N 429.569 2.409 30 10 IEEE C[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1493768476 PBIAJKDYSYXSTO-NFFVOIMASA-N 435.532 2.417 30 10 IEEE CCc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498995045 WHOJSBMRVBISMN-KHOFPDMRSA-N 436.516 2.162 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCC(OC)CC1 1504995401 QPSKBDNOUPKCJM-OMZYAQQMSA-N 446.596 2.384 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCO[C@H]1CCOC1 1505070038 RIMVMWKJPUJPJL-FHWLQOOXSA-N 433.553 2.328 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN(C)C(C)C 1507604154 GRIVSGPJHMCABF-UHFFFAOYSA-N 431.610 2.346 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1507637477 BCUQHBISJFFILP-OAQYLSRUSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCOC(C)(C)C1 1507657677 WJIUXNOMDNFOEX-UHFFFAOYSA-N 430.556 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCn1cc(Br)cn1 1507665134 JZFCREHNVVBLHB-UHFFFAOYSA-N 441.337 2.191 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1COCCO1 1507704247 UVWSFXUEIGNBIO-KRWDZBQOSA-N 435.322 2.209 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507883765 IMPUKNDAPXJKPI-GOSISDBHSA-N 431.562 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)Cc1cnn(C)c1C 1508143618 ITAZBDIVIXDRSR-UHFFFAOYSA-N 446.552 2.287 30 10 IEEE C=CCSCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1508167985 MFQVNYOUUGUGRQ-NRFANRHFSA-N 437.610 2.297 30 10 IEEE C=CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@@H]1CCS(=O)(=O)C1 1520935713 WVEYMLPUVLKFHF-CYBMUJFWSA-N 429.564 2.292 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 1525837906 GGDYSJYTXKSJIA-ZDUSSCGKSA-N 434.290 2.107 30 10 IEEE C[C@@H](Sc1nc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)cs1)C(N)=O 1534379359 CXSQVQGJGONCLP-CYBMUJFWSA-N 429.571 2.308 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1535897317 MTACQGTVDXOYCW-KRWDZBQOSA-N 434.883 2.325 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1539220399 RTEQWVWMWWCFHN-FQEVSTJZSA-N 435.638 2.225 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539231339 RDUUUDAYEPTLFH-KRWDZBQOSA-N 438.500 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCN1C1CC1 1539337956 OTKDENKOLJXPTH-NNWRFLSQSA-N 425.577 2.482 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539506017 OPPRZOFLLHVDDC-MRXNPFEDSA-N 432.546 2.077 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1539519390 FNCGIQJYCMNIDU-UHFFFAOYSA-N 427.574 2.303 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1539595973 HSRJHNWUSRTNDO-OIPACUDHSA-N 427.343 2.463 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1539599641 BKMJACFQAVKDTG-AWEZNQCLSA-N 434.338 2.453 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539627666 KTFMWJQZLLYPBR-RCLSDMTESA-N 443.596 2.205 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539772076 DHTPRWFDEDJVIO-SFHVURJKSA-N 438.020 2.165 30 10 IEEE COc1cccc(N(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C(=O)OC(C)(C)C)c1 1542978862 ZPRBZYOMALFLPS-FMQUCBEESA-N 444.488 2.079 30 10 IEEE C#CCN(C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 1543463285 UMFLNWBUGHFBAQ-CYBMUJFWSA-N 427.404 2.238 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1545169510 TUGAMOQOAXDBET-IBGZPJMESA-N 442.589 2.427 30 10 IEEE CCCNC(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1547245838 DOTGIXKOKJEFIL-LJQANCHMSA-N 426.521 2.180 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCCOC(F)F)cc1 1555990240 FYRFEMUNLPBLGL-MRXNPFEDSA-N 446.458 2.169 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)c1 1557030020 RPJCPANDDLIZNE-UHFFFAOYSA-N 430.526 2.051 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(C4CCC4)no3)CC2)c1 1557972410 UBCOJIXMBRFLPJ-UHFFFAOYSA-N 428.514 2.268 30 10 IEEE CCS(=O)(=O)CCN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1567276446 RNBIFZJAASFCKX-GOSISDBHSA-N 435.546 2.286 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1569064114 AQIMPMFODODUBQ-MGPQQGTHSA-N 433.933 2.119 30 10 IEEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1570083460 WXIAEUSRNMQGJO-UHFFFAOYSA-N 434.345 2.393 30 10 IEEE N#C[C@H](NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1)C1CC1 1584314685 VBGMDCPXJUOGQR-XIRDDKMYSA-N 425.348 2.461 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1nccs1 1587970508 ZRFYLMJISPHHHL-UHFFFAOYSA-N 429.575 2.397 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CC(=O)N(CCOC)C1 1588099556 QQMGKOUWMLOFTA-SFHVURJKSA-N 431.496 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1588211049 TXLZWCFLWJHVSO-GOSISDBHSA-N 426.542 2.384 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(N)=O)C1 1589504806 JIYRSXGAWXQFDJ-RYRKJORJSA-N 426.477 2.146 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1593746394 DAVOULZNBHJMAY-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1594553333 YUDFTIQCIQQZHV-VAMGGRTRSA-N 425.533 2.441 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1594784269 VMTABCBLYMAPAD-QHCPKHFHSA-N 443.523 2.344 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1595723607 YRHOGADRFJEEMT-OALUTQOASA-N 426.521 2.355 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)C2)nc1 1595822256 XIGRTEARHJRZHC-FQEVSTJZSA-N 440.525 2.106 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1615209237 BZBSYOZPJWUQJN-PMACEKPBSA-N 442.589 2.170 30 10 IEEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnn1-c1ccc(C(F)(F)F)cc1 1616346317 HMMRMQZTBISGJP-ZPHPHTNESA-N 433.390 2.456 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Oc3cc(C(N)=O)ccc3Br)CC2=O)cc1 1616484168 TVOHPNSKJRXJLO-ZDUSSCGKSA-N 428.242 2.378 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@H](CC#N)c3ccccc3)CC2)c1 1623354919 GSCUPFSKWYZDTI-LJQANCHMSA-N 443.525 2.234 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)C(CC)CC)CC2)s1 1630590736 ABFJIJJKMIFICS-UHFFFAOYSA-N 441.619 2.298 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1631850606 OFQIMZGLGIBAEB-IBGZPJMESA-N 447.624 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)C1 1634107913 HXRLRDNTLYTOAT-ZQDYSYBYSA-N 426.517 2.355 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1635343007 KWRVXPLPNHHRDA-HNNXBMFYSA-N 432.498 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H](CO)CN1CCCCC1 1636340968 DBBAOGGSETVANY-CTNGQTDRSA-N 442.560 2.356 30 10 IEEE C=CCCC[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OC 1638401445 NJKVZYLFOBHECP-ZDUSSCGKSA-N 433.324 2.033 30 10 IEEE COC(=O)[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC1CCCC1 1640253763 JKVNZPIQZZCBQM-IEBWSBKVSA-N 440.500 2.249 30 10 IEEE COc1cc(N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)cc(OC)c1OC 1642657968 ZAKMTQQAYCNGLE-IBGZPJMESA-N 427.501 2.146 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc(-c3cccc(C(=O)OC(C)C)c3)n2)c1 1643569906 JEILCKKPOOEUHS-UHFFFAOYSA-N 432.440 2.235 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1644244629 DYYZSWHMKRMFIC-JCECYMMASA-N 435.521 2.009 30 10 IEEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1644465099 CHDJBOIXEFGEDZ-AWEZNQCLSA-N 433.357 2.285 30 10 IEEE C#CCN1CCC(NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1645780933 AEWCBCGMELJGRN-XMMPIXPASA-N 447.535 2.100 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1652328572 LMCHZPZFOSNVQF-YOEHRIQHSA-N 447.948 2.377 30 10 IEEE COC(=O)Cn1cc(CCN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1654968785 UAWMBPZMQSUECM-UWVGGRQHSA-N 436.303 2.096 30 10 IEEE CNS(=O)(=O)C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 1655230861 YMLAZVWJWRRSEM-CABCVRRESA-N 438.619 2.334 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1677218639 XHJYXCBNIQKKJH-SFHVURJKSA-N 428.512 2.069 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 1682748197 HJTQGYMFHQORDA-HXUWFJFHSA-N 440.935 2.344 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1683592553 QNCAKSUWNNQOMT-UHFFFAOYSA-N 433.578 2.089 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1689956754 DGHGGVHLHHYNIX-OAHLLOKOSA-N 446.349 2.272 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689987910 FFAZSJVKWRJBOT-SFTDATJTSA-N 441.601 2.394 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCN1CCN(C(C)=O)CC1 1690001685 PWXAJBIFWMEPMM-HSZRJFAPSA-N 432.572 2.057 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1690115322 AYZMGWJPMRJDAZ-UHFFFAOYSA-N 449.559 2.439 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1690241314 QYCSRMFVMOLSIP-DYESRHJHSA-N 441.532 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1690251643 XLUQUBAJNIEMKF-JQVVWYNYSA-N 439.560 2.365 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1690699642 HLRVMHVPYOKVHI-VQTJNVASSA-N 425.533 2.313 30 10 IEEE CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1692022270 ABVRSADIVODKJK-PGRDOPGGSA-N 438.532 2.068 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCC(F)F 1694125209 DMWSOSJMSSDXLU-GJZGRUSLSA-N 434.495 2.450 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1697024001 ZKRNHBKVONFYCG-IUODEOHRSA-N 442.467 2.001 30 10 IEEE COCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1698001595 PUTQCQYMVXYKJP-SJORKVTESA-N 434.541 2.158 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1698285275 TWNWDAPHHAKHHW-VQTJNVASSA-N 427.505 2.149 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn2ccccc2n1 1705545418 ZVKRLFVPRVTPJX-UHFFFAOYSA-N 434.525 2.308 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705589490 RHNSVLAGFGQVQS-OALUTQOASA-N 425.556 2.385 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](OCC)C2CCCC2)CC1 1705637967 SQWBQQZDRGJSQZ-OAQYLSRUSA-N 425.581 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2CC(OCC)C2)CC1 1705648647 VLFIYRQRPMVLKD-VEDCXYSMSA-N 443.592 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)CC)CC1 1705652901 RGQCTAUHOLQJPV-IECBHUPTSA-N 445.608 2.324 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1705879940 PPKRLLIJKWTADJ-RTBURBONSA-N 447.605 2.493 30 10 IEEE C=CCNC(=O)Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909499 ZECWJHZTBMITCX-UWJYYQICSA-N 437.610 2.199 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(O)c2)C1 1705915409 UIRXLXIYPCTBAI-QGZVFWFLSA-N 427.505 2.058 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)COCCO2)C1 1705929557 SSVLHVTYACQIBG-FDDCHVKYSA-N 444.532 2.453 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1706074983 HSHOHHFCRCSERV-QAPCUYQASA-N 444.561 2.008 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)OC 1709520570 DRGIMNJVQWWJKJ-MJGOQNOKSA-N 426.521 2.246 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CCOC)CC1 1711409602 GPBSZOMTCGLMCH-UHFFFAOYSA-N 425.537 2.341 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1711417724 BVDSLYXPERMBNL-KGLIPLIRSA-N 436.607 2.419 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCC2)CC1 1712704691 OAZTZSREFWIJLP-SFHVURJKSA-N 426.546 2.255 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1722332653 NQUYYRUHAARJEG-AZUAARDMSA-N 428.558 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)C(C)(C)C 1722378936 JFBHVPZHMATFST-UHFFFAOYSA-N 429.528 2.366 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722386524 BHIJBHQZCKMKSW-OAQYLSRUSA-N 441.539 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)C(=O)NC 1722388322 ZOVQEAPQXLAQGZ-UHFFFAOYSA-N 434.544 2.382 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCC2CCOCC2)CC1 1722429177 IEUCSQVKCIVASL-UHFFFAOYSA-N 430.597 2.159 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1722432345 WBCLZZCYSRKDNL-QHCPKHFHSA-N 449.647 2.365 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722477153 CXGKVSFISCEPLI-CQSZACIVSA-N 434.404 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](OC)C(C)(C)C1 1722751766 UJBDUQOAJRVGPV-KRWDZBQOSA-N 449.533 2.315 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1Cc1ccc(C#N)o1 1723928021 RQPOVOIODCFNCX-UONOGXRCSA-N 426.502 2.482 30 10 IEEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)OC(C)(C)C)CC1 1724009588 FELMJXVWVGOTGI-UHFFFAOYSA-N 445.568 2.445 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1730476822 LXYKTAWBPDKNJF-XUVXKRRUSA-N 427.505 2.241 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740577685 MEZGLXBLIODJTN-OAQYLSRUSA-N 436.564 2.354 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCCC1(C)C 1740688080 MFGYOUVJRFDTAR-QFIPXVFZSA-N 445.589 2.297 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3cc(F)ccc23)CC1 1740688943 LZTKLYUTSUABAA-UHFFFAOYSA-N 437.523 2.035 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740717172 LLNHRWFLIOQQOS-UHFFFAOYSA-N 427.640 2.093 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740842669 HVUQMNMJMRWFLH-JKSUJKDBSA-N 425.599 2.374 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ccnn2C)CC1 1740953748 PPJGLKKYRDKKRU-UHFFFAOYSA-N 435.532 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1740954554 BDTHPVVIJRSCOX-IBGZPJMESA-N 429.521 2.126 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1740971122 JKJOKRKCHOTKKI-HXUWFJFHSA-N 433.516 2.482 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1c[nH]c2ccc(F)cc12 1741126355 REGHJIFWPQWZGL-KBPBESRZSA-N 447.540 2.347 30 10 IEEE CCc1nnc(N(C)Cc2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1744547602 ZLVWQMQBGAKFEF-QZQOTICOSA-N 440.504 2.021 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C[C@@H]1C 1746375227 FMDYKZAKQQANNJ-ZCNNSNEGSA-N 437.592 2.456 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCN1C1CC1 1747995060 GPRDIXMYOYHNFW-FQEVSTJZSA-N 442.589 2.314 30 10 IEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)CCOC1 1748504698 ACWNZFWMBANEGL-XXBNENTESA-N 441.532 2.397 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748819074 JZEUNIHOCKWPHM-GFCCVEGCSA-N 448.417 2.336 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1748993475 YZXSUOCNPCAJPX-JOCHJYFZSA-N 435.620 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)Nc2ccccc2)CC1 1749015929 SDBDAGITTLUDDF-UHFFFAOYSA-N 434.544 2.225 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccnn2)CC1 1749026154 GQPVSZKZHWPNOO-UHFFFAOYSA-N 440.964 2.477 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749089634 BCBCLQPCWUHKPU-UHFFFAOYSA-N 444.355 2.273 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749113139 VROYFDKWGHDOJC-HOTGVXAUSA-N 428.375 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1749474204 YYYKNBMGZYOZRR-HXUWFJFHSA-N 436.603 2.447 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C(C)C 1749655160 DPLYEFJSVCWIOB-GOSISDBHSA-N 431.562 2.276 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCCO1 1752271790 MWSGWEYPVDMUIC-YLJYHZDGSA-N 438.532 2.069 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760158828 UAMVRRDZXYBJHR-QGZVFWFLSA-N 428.924 2.480 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760185905 GVONELOFHJYHMD-SFHVURJKSA-N 446.573 2.191 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760186906 HAOZEXBIXBCXSL-AABGKKOBSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCO1 1760208706 YKDXYXRSTFVGNP-CEXWTWQISA-N 425.533 2.467 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760218871 OUHVFYLVBHVREV-MRXNPFEDSA-N 437.491 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@](C)(O)CC)CC1 1760271870 PQCNMVOGTCMCCP-RUZDIDTESA-N 448.571 2.477 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1760407857 RURSYGFEROSAOC-HJNYFJLDSA-N 446.640 2.431 30 10 IEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1760425696 UDEAKRKQFGDQQS-UHFFFAOYSA-N 429.525 2.214 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)NC 1760479591 ULVBZKKBPVSTFC-UHFFFAOYSA-N 440.529 2.460 30 10 IEEE C=CCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1760512972 FARSWSDRVDIPRL-UHFFFAOYSA-N 436.560 2.107 30 10 IEEE Cc1nnc(N(Cc2ccccc2)C[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1762529705 QHSJRBXESCCKBB-XQDODVJUSA-N 436.516 2.299 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1763098467 GYYCGJURCAXRFN-YTTGMZPUSA-N 449.584 2.361 30 10 IEEE CCC[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763962990 GXRUCOGRJCEJIP-UFVMTTLYSA-N 428.537 2.467 30 10 IEEE CCN1CCN(CCCCn2c(N3CCN(C4CC4)[C@H](C#N)C3)nnc2C(C)(C)C)CC1 1765567252 ACQSBZYFJMGJCP-OAQYLSRUSA-N 442.656 2.170 30 10 IEEE CCN(CC1CCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766806689 MVJXIXNXHRROQG-RWNPKEDZSA-N 428.537 2.325 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCC(O)CC1 1768900321 GCZHJNIUPALYIE-GOSISDBHSA-N 426.565 2.463 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1(C)C 1770657891 KUABVYOQUGUHCO-LJQANCHMSA-N 440.548 2.362 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCCOC(F)F)cc1 1770739127 XVUFZAXZQXGWKA-OAQYLSRUSA-N 446.458 2.217 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCCO)CCO2)c1 1771531788 COIBBNYOTYUGRO-VQTJNVASSA-N 438.532 2.231 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)ON3C(=O)c4ccccc4C3=O)CC2)cc1 1772790459 OUJJJUTXKGOAGV-UHFFFAOYSA-N 428.466 2.150 30 10 IEEE COc1ccccc1-n1nnc(C(=O)NCC2CCN(c3ncccc3C#N)CC2)c1C 1850254403 NQZPSCGCRMSXNL-UHFFFAOYSA-N 431.500 2.497 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1853676084 BBXVSVCHRNILGA-SFHVURJKSA-N 437.606 2.140 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)[C@H]2COc3ccccc32)C1=O 1857059664 ILIPVQWBCPHUSK-HOCLYGCPSA-N 425.466 2.032 30 10 IEEE COc1cccc(CC(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)CC#N)c3ccccc32)c1 1857467576 KEHOFGJXBLXFGK-OAHLLOKOSA-N 427.482 2.249 30 10 IEEE CSCC[C@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1ccc(C#N)cc1 1867043599 KNHLYOCOKZACTL-HNNXBMFYSA-N 443.558 2.175 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004599 FNRRNOCGBAADLJ-GOSISDBHSA-N 429.546 2.306 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(C#N)cc3)CC2=O)cc1 1870110732 GJEDQHNVONEMJT-QGZVFWFLSA-N 441.451 2.070 30 10 IEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871120231 BZTYGFZFRAMHOH-UHFFFAOYSA-N 426.473 2.481 30 10 IEEE C=CCn1c(C(=O)N(C)C)cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21 1873562921 ZPOOSNWTRQKUEM-UHFFFAOYSA-N 448.527 2.370 30 10 IEEE N#CCS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390828 KXWPNLNAMGFCBU-IBGZPJMESA-N 428.466 2.307 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2044522685 NRWJELMPCSJZLI-IBGZPJMESA-N 432.370 2.399 30 10 IEEE CN([C@H](CC#N)C(F)(F)F)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2108366287 MZWYUOQNCLVLHF-CQSZACIVSA-N 431.436 2.415 30 10 IEEE N#CC1(CS(=O)(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CCOCC1 2174783804 GVBBHNVSUXKPGK-LJQANCHMSA-N 435.546 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2224130833 NRTRBCOQXYMNAE-SJORKVTESA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243423089 RVMIJNQSVNSANI-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE CC1(C)OB(c2ccc(Cl)cc2C(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2247782686 WXBWEKINYSQLME-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2247835911 SJMJLUXKQDAXLC-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248403810 GQMGKEPEVPTSAZ-MPBGBICISA-N 437.371 2.362 30 10 IEEE CN1CC[C@@](CNC(=O)OC(C)(C)C)(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255343097 RUCGWGLYYYZAOV-QFIPXVFZSA-N 433.358 2.359 30 10 IEEE Cn1ncc(I)c1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255375250 TUFPHRNURYMXOO-UHFFFAOYSA-N 440.094 2.331 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255823547 WAICOYUREIIWEY-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256892108 OFXMLFNPEITTGJ-OAHLLOKOSA-N 437.321 2.250 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267128464 QZNAUEIRTDYYCG-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140420 QETLRXFTPAWFBH-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267179650 SSSGGCDQMMMWHP-LSDHHAIUSA-N 448.373 2.330 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267195474 WRMOZGCUDVBOPG-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267270835 NYVLJZVLTINROO-HSZRJFAPSA-N 446.353 2.088 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267493014 XPCUHDSLSFUCFG-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267495105 YAIFLQSDSWGGMM-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267503619 GNZUEUMFQLZUNE-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267549920 RSUXVWQKCXUIET-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267592485 MTGGJXPQAGRJCL-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2269063484 IRCYMBNFZWXFNC-GOSISDBHSA-N 442.321 2.207 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2282696307 AYBTXKXZZDFBHQ-NRFANRHFSA-N 449.404 2.498 30 10 IEEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)s1 2296926603 WVCCTONVCHQCGG-GOSISDBHSA-N 442.541 2.299 30 10 IEEE COc1cc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)ccc1O 2328531619 UQNBHDNDUJAHGZ-UHFFFAOYSA-N 429.458 2.458 30 10 IEEE C#CCOC[C@@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364184667 PXYVDRISCMAYKI-SFHVURJKSA-N 432.542 2.287 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cnc4ccccc4n3)CC2)cc1 16775858 KDTBQQOJXGYIMB-JXMROGBWSA-N 433.493 2.048 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)c1 20527445 SRKXWHDOTXCXOA-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@H](CC)n2c(N)nnc2SCC#N)oc(C)c1C(C)=O 40173530 NMFDWBSBMWKLSR-NSHDSACASA-N 434.478 2.347 30 10 IEEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(Br)cc3)C2)c1=O 101764784 SCXTXKAHGRENQF-CQSZACIVSA-N 447.289 2.278 30 10 IEEE CCN1CCN(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)CC1 169981451 SGRNMIDHMUSMAB-UHFFFAOYSA-N 431.452 2.388 30 10 IEEE C=C1[C@H]2C[C@]3(COC(C)=O)CC[C@](O)(C(C)C)[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@H](C)[C@@H]2C[C@H]1O 257377895 AMBIXBPMZZPLEH-UXANXBFJSA-N 438.561 2.219 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 437829864 UVJIYCYQVQOYAP-UHFFFAOYSA-N 449.555 2.111 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)CC1 443336164 UQRQXYPXJHISPJ-UHFFFAOYSA-N 438.484 2.290 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2cnc(N3CCOCC3)c(F)c2)c(C(F)(F)F)c1 462676376 CTFXEOZEWOSMPE-UHFFFAOYSA-N 444.410 2.426 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccc(F)cc3)c2=O)o1 471204232 PIBVPQKQBYLWQQ-UHFFFAOYSA-N 439.512 2.469 30 10 IEEE CNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 473580957 CEKNTJASCNYPGU-IBGZPJMESA-N 432.933 2.271 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(CCC)CC1 508724709 UKXYZWCPTBDLSA-UHFFFAOYSA-N 432.594 2.125 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 508947259 WNEBGVMBOGXOHV-UHFFFAOYSA-N 435.550 2.009 30 10 IEEE Cn1ncc2c(N3CCN(C(=O)c4ccc(Oc5ccc(C#N)cn5)cc4)CC3)ncnc21 517661328 VDDDSGXZPSTPSO-UHFFFAOYSA-N 440.467 2.385 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccccc3Br)CC2)CC1 525514561 ZFMCMSADYLGUQQ-UHFFFAOYSA-N 435.366 2.110 30 10 IEEE Cc1ccc(S(=O)(=O)CCCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 540295760 ASRAWRPQFREFOG-UHFFFAOYSA-N 447.582 2.037 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCO2)cc1 549896795 HEFBKRMJOSBNRR-ROUUACIJSA-N 446.577 2.182 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 563781031 XLESDYTXSWPDIY-RTBURBONSA-N 447.561 2.147 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C(C)C 564006647 OZYPVJKYDVARDB-MRXNPFEDSA-N 425.580 2.274 30 10 IEEE CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 570846206 ROQLAXMCWJEWCT-JOCHJYFZSA-N 440.525 2.492 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 572147229 YAPVXIJJKVCMGC-HXUWFJFHSA-N 442.541 2.138 30 10 IEEE CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)nc1 609641711 JWUUBNIIFKOTKW-UHFFFAOYSA-N 443.529 2.294 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 670202427 KYKOSQGNTRKRJC-GOSISDBHSA-N 446.577 2.403 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 679823129 UQEHYLBZKOGLKG-UHFFFAOYSA-N 430.530 2.124 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)[C@H]1CCS(=O)(=O)C1 729331981 SAEWMHJKYUWFKU-IBGZPJMESA-N 446.550 2.058 30 10 IEEE N#CC(C(=O)Nc1ccc(F)cc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669535 QCWNIBZTBOJVJP-UHFFFAOYSA-N 445.479 2.173 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccn2)c1 730143367 ANQXXHYRGZDBLP-HXUWFJFHSA-N 435.553 2.263 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cc(C)ccc3F)c2=O)cn1 732562757 JCPOMTXFDWPOEA-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCO2)C1=O 741453567 FESWUXOSRNJQSL-QZTJIDSGSA-N 436.553 2.394 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1C#N 747497465 CBTHOGJXBRTRSC-IRXDYDNUSA-N 436.512 2.431 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1 753993422 FVLLHUBBCKSOTR-JOCHJYFZSA-N 445.523 2.404 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2cscn2)c1=O 758062629 UMWHJFCTBFUXEE-UHFFFAOYSA-N 445.447 2.404 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)ccc1F 760934169 UVHOZCKUXDNKRQ-AWEZNQCLSA-N 429.477 2.362 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768663899 BYFJESGXYCPYBG-CQSZACIVSA-N 444.332 2.124 30 10 IEEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 774260108 ZGTXBWXJORVMOT-MRXNPFEDSA-N 440.529 2.224 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cc(OC)cc(C)n3)c2=O)c1 776756976 ULWKCHDCYQYBPZ-UHFFFAOYSA-N 443.528 2.321 30 10 IEEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780050213 LZPNENSZZYYGII-SFHVURJKSA-N 434.496 2.138 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCOC[C@@H]2c2noc(COC)n2)ccc1OC 780826899 DSJUAJWWKQMWHB-HZPDHXFCSA-N 445.476 2.189 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 782758753 IBJROMMPPOPOPQ-YJLNNSPDSA-N 443.491 2.071 30 10 IEEE Cn1ccnc1[C@@](O)(CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(F)(F)F 783865305 BWGYCUFYBFWFCM-ZOJXTTQQSA-N 437.422 2.333 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H](OC)C(F)(F)F 787460527 DBSNQGLNAQPMGZ-ZFWWWQNUSA-N 435.468 2.368 30 10 IEEE C[C@@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C(=O)NC1(C#N)CCC1 787743561 GACRWSHQIGXYRA-MRVPVSSYSA-N 442.316 2.021 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)n1 790104661 ITKMTMRMDXPQPD-HAVVHWLPSA-N 443.507 2.357 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC2CCN(C(=O)OC)CC2)C1=O 795176615 JLBLCDWHUFOTDQ-INIZCTEOSA-N 436.509 2.372 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 800668597 VNUHALOIFDMNJA-JXXFODFXSA-N 429.583 2.166 30 10 IEEE C=CCOCCNC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 801761236 LUAYSUIAMDIFLR-UHFFFAOYSA-N 434.541 2.120 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)cc1F 813689091 AIBHTSIQYBKBIM-SFHVURJKSA-N 445.472 2.266 30 10 IEEE COCc1nc(Cl)cc(NN=C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)n1 814978364 BUAMNUUZRLAZDT-ZDUSSCGKSA-N 440.932 2.437 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(Cl)cc1 839221037 PWGCYTLRQJRBMP-UHFFFAOYSA-N 430.880 2.160 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(Br)cc3)cc2C1=O 916652228 YELUALMWNQDCBO-UHFFFAOYSA-N 449.282 2.350 30 10 IEEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]1 1083967221 JLUNJLAVZJQFQM-UHFFFAOYSA-N 442.505 2.103 30 10 IEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1C 1084215321 KWGPEWZDQIOZNV-UHFFFAOYSA-N 443.512 2.307 30 10 IEEE CN1C(=O)CN(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1=O 1124991370 IGDAWEKMMSYYCS-UHFFFAOYSA-N 437.403 2.457 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1F 1129071191 LAYNQHWGAJTEBC-CABCVRRESA-N 445.516 2.386 30 10 IEEE COc1cc(N2C[C@@H](C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2=O)cc(OC)c1OC 1132648404 ZEBIAWKSBYEHRA-ZWKOTPCHSA-N 435.480 2.221 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cc1 1134507289 RCTTXLORVIICHR-LEWJYISDSA-N 443.463 2.235 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1 1153253367 KDVPJRLDBAVFMY-HXUWFJFHSA-N 440.521 2.401 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(N(C)C)ccn1 1155459352 CWFWSGCPNUGETN-SFHVURJKSA-N 429.546 2.061 30 10 IEEE CN(Cc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1)C(=O)OC(C)(C)C 1158741155 AHYHHAJXUUFHBC-UHFFFAOYSA-N 427.461 2.216 30 10 IEEE CCOC(=O)[C@H](NC(=O)COc1cccc(Br)c1C#N)[C@@H]1CCCOC1 1268900549 CJHVFCRORLMOHT-SJKOYZFVSA-N 425.279 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)C1CCC1 1286305083 ZIQLYQHLRRRPBR-HNNXBMFYSA-N 428.562 2.034 30 10 IEEE C#CCCCn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1286360340 SNGZZMXIMRDTCJ-QHCPKHFHSA-N 431.581 2.427 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1286399178 AOFAWDZAAFACTF-MSOLQXFVSA-N 444.532 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2CCCCC2=O)CC1 1286490923 XHCSJLSNKUVCKG-UHFFFAOYSA-N 440.592 2.304 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286631880 AHKALRQZWGFRQL-SFHVURJKSA-N 443.983 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286784817 USHOCVIMXBPMRM-BSRJHKFKSA-N 425.533 2.328 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C1CC1 1288614220 BOFIXISYYUDRSI-MRXNPFEDSA-N 442.589 2.313 30 10 IEEE CCc1nnc(N(CC)C[C@@H](O)c2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1292873485 BWEZOKLTUYSNRU-XKXPVHLMSA-N 438.532 2.235 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1conc1COC 1293097308 GEORGDVQFMEUOI-UHFFFAOYSA-N 425.468 2.361 30 10 IEEE CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1295491103 PNPMGFISUVKZBC-UHFFFAOYSA-N 441.580 2.370 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)C2=O)cc1 1296292150 CTRDLTSAEKRGDN-LEWJYISDSA-N 431.496 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1300579325 SYIPLDUWDMHQRG-OFNKIYASSA-N 449.555 2.100 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(SCC)c1 1300671105 BYPIPIHZRXRASL-SFHVURJKSA-N 448.614 2.427 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1300734172 SMDYIMVOVDTPNE-SJORKVTESA-N 426.546 2.297 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1300745860 NSTUQPJACOYVFF-UHFFFAOYSA-N 443.573 2.387 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300889183 PMAPKOIINHFLPS-QTEQDKRBSA-N 446.640 2.495 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1301002381 YSKYLFVKUSKXID-UYAOXDASSA-N 449.596 2.084 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OCCC)CC1 1301478288 ISANUTOYGFWTOL-QGZVFWFLSA-N 441.536 2.013 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301531870 ZTZMVIAHULHGHY-HSZRJFAPSA-N 438.532 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc([C@@H](C)OC)n2)C1 1301565978 IFBMYHXWJSYCOR-WBVHZDCISA-N 446.577 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1301569557 ZDFMIHISUJRWKG-UHFFFAOYSA-N 433.578 2.338 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1302266851 UJQQWSMBLKQICY-GOSISDBHSA-N 441.536 2.298 30 10 IEEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1308113923 IRBUMLYDWNQKCB-NLFFAJNJSA-N 448.567 2.469 30 10 IEEE C=CCN(C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1311080414 NLYPYBADRKAYIE-CQSZACIVSA-N 437.415 2.211 30 10 IEEE C=CCn1cc2ccc(NC(=O)NCc3ccc(S(=O)(=O)NCCOC)cc3)cc2n1 1311237255 FXKUIRJDIMZKGT-UHFFFAOYSA-N 443.529 2.469 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCc1nccc(C(F)(F)F)n1 1316100373 OYXNLXWGMYNMBU-UHFFFAOYSA-N 447.425 2.153 30 10 IEEE C=CCO[C@H]1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C1 1342229681 XDRJDXSUJMGRKC-SFHVURJKSA-N 437.562 2.085 30 10 IEEE CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1350209076 DYUZVFFOAMJWAF-QGZVFWFLSA-N 444.598 2.284 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358892729 GAYYFNMTYXDPCR-HXUWFJFHSA-N 444.587 2.307 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1358920142 SZQHSRBSMSMZHZ-MAUKXSAKSA-N 435.525 2.019 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1358976920 XELOODCLOMEOCV-SFHVURJKSA-N 428.496 2.093 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(OC)CCC(C)CC2)CC1 1359029758 HCKHPYMGPZLVTQ-KQVJYAISSA-N 433.597 2.353 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359059186 DFNFMHZNCDYZHO-KGLIPLIRSA-N 441.648 2.258 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@H]1C 1359064469 TWHFCZLHASIBRF-BMQTXXJKSA-N 437.610 2.476 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359135149 UILGWCKIDYNMSW-IBGZPJMESA-N 427.578 2.403 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](CC)C1 1359302941 YSVUOTGEROVDGK-QGZVFWFLSA-N 425.562 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359329642 PRIQKDOPVKRUEJ-XMSQKQJNSA-N 446.573 2.320 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)CC1 1359400220 FEWIBCCWUZPUSY-UHFFFAOYSA-N 443.502 2.216 30 10 IEEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1cccc(C(F)(F)F)c1 1439612068 PIEUPAJWYQPLGT-KSSFIOAISA-N 438.431 2.210 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1447472136 GNYGFUNYOVCYNE-IUHNQTRMSA-N 447.413 2.133 30 10 IEEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1460919896 SIJRUFWLABFQFB-NRFANRHFSA-N 425.554 2.160 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 1465726295 OWNPFIHLUFXDJW-LSDHHAIUSA-N 449.529 2.063 30 10 IEEE C#CC1(F)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2CCC)C1 1471606770 HWPJHRNXDAYZOG-UHFFFAOYSA-N 446.548 2.347 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1472143635 UWZVAWXWLZXPQY-YOEHRIQHSA-N 439.946 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1472148830 KPXGHAYFANAARX-FQEVSTJZSA-N 428.533 2.401 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1504814846 FHDCQBIWJNKPST-HXUWFJFHSA-N 440.548 2.174 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F 1504888377 PNEVMZQYIWSBQL-CYBMUJFWSA-N 437.488 2.135 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1504944515 VTAKCWJYWYJQMB-VGOFRKELSA-N 429.521 2.316 30 10 IEEE COCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1505044624 NZFBHGDSUYYSOL-OAQYLSRUSA-N 430.509 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1507518966 OORFMGOSVIWSHU-VGSWGCGISA-N 446.573 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1507761138 GIBUNBUUEXDLBJ-JOCHJYFZSA-N 449.540 2.409 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCS(=O)(=O)CC 1507802870 DDNZWSHYFNRMBT-ICSRJNTNSA-N 433.578 2.116 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507839270 BLRRBTSSONLKDB-OAHLLOKOSA-N 440.470 2.381 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1507916176 LLRRSACHNHEBCX-HZPDHXFCSA-N 433.582 2.253 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC 1508040542 ZBNKHQGXUKZGSH-SJORKVTESA-N 439.557 2.260 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNC(C)=O)C1 1508111458 FUBVVCSKCZOHKO-SFHVURJKSA-N 427.505 2.024 30 10 IEEE CC(C)(C)N1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508619152 JMSMNGWZYFSGER-QZQOTICOSA-N 441.580 2.068 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1513355167 FUVDKYJCENZCGA-MGPUTAFESA-N 434.516 2.182 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)C1 1517482365 FPGFHABIVZRUBY-HSZRJFAPSA-N 434.500 2.353 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1519274677 DIAOYSVTKFLZDH-KZULUSFZSA-N 425.415 2.220 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1520470347 DPFNULVIBYDMIF-UHFFFAOYSA-N 441.605 2.170 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1521062403 CJFTUNKCSQOBFU-OXQOHEQNSA-N 435.454 2.138 30 10 IEEE Cc1c(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(F)cc1 1534198991 DSAHHQCLTQHHJE-GOSISDBHSA-N 447.430 2.430 30 10 IEEE CCn1c(CCC(=O)NCc2ccc(C#N)s2)nc2cc(S(=O)(=O)N(C)C)ccc21 1536695037 NVVHZQRSMBPUSU-UHFFFAOYSA-N 445.570 2.489 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1cccn1 1539025424 IDOWPPNETYTMRT-QFIPXVFZSA-N 446.603 2.388 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1539215985 MMRWADPXYWZOKF-KRWDZBQOSA-N 431.562 2.249 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539232037 YSGISIQSDCBEIJ-UYAOXDASSA-N 444.557 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1 1539278401 BCNKCXXZDALADD-FQEVSTJZSA-N 438.551 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@@H]1C 1539300783 HZQTUJOWZFRYIC-FOIQADDNSA-N 446.349 2.049 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1540114480 LYNKDRDEUFCIBM-INIZCTEOSA-N 428.562 2.339 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@H](C)C1 1540903222 BCOXOECIIXUXQD-GASCZTMLSA-N 440.516 2.362 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1541088376 GPOFCQPORILITN-UHFFFAOYSA-N 444.543 2.373 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1541116766 UWBYTDRUUJBHMZ-MJGOQNOKSA-N 440.548 2.283 30 10 IEEE C[C@H](CN1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1542160495 WHTNIKFFVIHMPZ-LRWZUSMTSA-N 436.578 2.186 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1542632686 OWVBBQVEDFCZTG-SFHVURJKSA-N 438.521 2.212 30 10 IEEE CCc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1546538644 DRJWYUIWYPLCER-KGNHYALCSA-N 449.559 2.078 30 10 IEEE CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)cc1 1547968609 JZCJQKCWGWYIJF-SXLOBPIMSA-N 427.505 2.178 30 10 IEEE N#Cc1ccc(N2C[C@H](C(N)=O)C3(CCN(C(=O)c4cn[nH]c4)CC3)C2)cc1C(F)(F)F 1548377254 HJWNTQWQJUXZJO-QGZVFWFLSA-N 446.433 2.144 30 10 IEEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)n1 1554344899 RTHNADYINPFJOM-UHFFFAOYSA-N 436.520 2.318 30 10 IEEE COCCN1C[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1=O 1555574496 HZFXEWHUQISYSW-GOSISDBHSA-N 440.523 2.243 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccccc3S(C)(=O)=O)C2)C1 1557038580 VEEICLKKIWZIBP-PSCUFVCCSA-N 447.557 2.493 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](C)N(CCO)C[C@H]1C 1557082209 ORPXPZDWHMTWFR-UONOGXRCSA-N 440.338 2.012 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 1557397628 CRNUGQQPXMNGRS-IJYGLTAASA-N 434.290 2.266 30 10 IEEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1557541654 BVIPDMUAMTXALQ-VWLOTQADSA-N 435.524 2.483 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(=O)N1CCOCC1 1587915825 SVNOWTAJMRIPQP-LJQANCHMSA-N 425.533 2.353 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588058701 ARMOZINFICWWMN-OALUTQOASA-N 435.638 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)Cc1ccc(F)cc1 1588078589 IVVNNWXFMPNORF-UHFFFAOYSA-N 445.502 2.269 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 1588111296 QWBMMSLSZHQHTG-GBESFXJTSA-N 445.338 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1588229054 QERMIFBEVZBKFZ-HXUWFJFHSA-N 435.528 2.246 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1589177536 KJUIURICHHRTMI-WOJBJXKFSA-N 434.949 2.140 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1589642224 ZKEQFDHJZNEVJE-QHCPKHFHSA-N 438.532 2.400 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1593763723 QAVWJGBPIFSUER-HXUWFJFHSA-N 430.597 2.305 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1607572605 CYATXUYNLIKUSB-WMZHIEFXSA-N 443.596 2.001 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1613341859 CNVHBXGIWKRIQL-QFBILLFUSA-N 426.521 2.036 30 10 IEEE CCc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1613796807 FFRMLAWZAMEQFG-INIZCTEOSA-N 430.578 2.433 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1617448134 VITMTUOGMKXGCS-FZYZMVIOSA-N 446.552 2.236 30 10 IEEE N#Cc1ccc(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1617464956 BVAWTDFAOWIJNV-HXUWFJFHSA-N 442.497 2.369 30 10 IEEE C[C@@]1(C#N)CN(C(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CCO1 1617894121 BKXZALQEYQTCQO-CRAIPNDOSA-N 443.363 2.184 30 10 IEEE COc1ccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)c(OC)n1 1619291546 WYBRYAIZGSQEME-AOMKIAJQSA-N 444.536 2.375 30 10 IEEE CSc1ccc(F)cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1620234960 HHGGCXJCYUWAGB-MRXNPFEDSA-N 430.509 2.152 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CCC2(O)CCOCC2)c1 1620347889 GBOOKIMFDPPVDE-UHFFFAOYSA-N 425.533 2.490 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)n1 1626715355 YHQPJFHTRBUIEI-SSEXGKCCSA-N 436.578 2.013 30 10 IEEE C=CC1(CC(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CN(C(=O)OC(C)(C)C)C1 1630201422 KMAVGCDUDMZYGV-UHFFFAOYSA-N 445.516 2.270 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 1630431111 KKSWAXUSTPSDTR-OAHLLOKOSA-N 431.367 2.384 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)ccc1F 1630810594 HCSPGIFGMLXDMA-SFHVURJKSA-N 445.516 2.069 30 10 IEEE COC(=O)[C@@H](COC(C)C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1631689691 HOTFJWPHLVTFEZ-QNOZYLDQSA-N 437.537 2.198 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNC(=O)c2cccs2)C1 1631840258 LFMBEQBRZJEWIK-UHFFFAOYSA-N 433.331 2.365 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1632394905 USJBVBCWBGMYTG-UHFFFAOYSA-N 431.470 2.025 30 10 IEEE C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1636562518 MLXFJOVMFYVXCQ-LBPRGKRZSA-N 434.381 2.328 30 10 IEEE C#C[C@@H](NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)c1ccc(Cl)cc1F 1636569669 CLSONDMKYSXJAM-CYBMUJFWSA-N 432.761 2.477 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc(F)c3F)CC2)s1 1639973466 AXRCRAOKZXXEFC-UHFFFAOYSA-N 441.525 2.382 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 1643269251 UARGIRDVSFUMPZ-AWEZNQCLSA-N 441.435 2.283 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1644583248 KWBQVDVEWQISSO-HXUWFJFHSA-N 445.516 2.290 30 10 IEEE C#CCN(CCS(=O)(=O)CC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1648318291 OAPGWFQDRAJPIC-UHFFFAOYSA-N 444.594 2.078 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1649582737 IUJQKLWLKNZTHC-ROUUACIJSA-N 441.488 2.394 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C1CC1 1651550689 NJTSGXPBLPWFOR-RBUKOAKNSA-N 447.557 2.318 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](N(C)C(=O)N(C)C)C2)n(Cc2ccco2)c1C 1654370820 WFZZAKWWHSMJOT-KRWDZBQOSA-N 426.521 2.244 30 10 IEEE C=C[C@H](C)ONC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1683557046 ZARJOCWMHGPPKW-BHYGNILZSA-N 437.541 2.070 30 10 IEEE C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685668620 AAJYJLRYKKAWRW-XAUUPUKJSA-N 426.560 2.345 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1occc1C 1689831485 LSTCORKRFHBEJG-JPYJTQIMSA-N 443.548 2.498 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1689893554 ZXBCXWUEVUPUEN-RTBURBONSA-N 449.621 2.431 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1689942825 DJFPEYFVTSAZNZ-UHFFFAOYSA-N 432.484 2.477 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(O)CCC1 1690013470 PVQBFGANJUKXDB-UHFFFAOYSA-N 444.539 2.443 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2cnccc2OC)CC1 1690139876 CYBXRQKGNMEWLB-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OC)C1 1690223038 CFQUSXUOGJEJLX-MRXNPFEDSA-N 445.325 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690661901 KLURBLOVROHZTC-OAHLLOKOSA-N 449.458 2.238 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1690689748 KVSOHZNWFPMUAI-FQEVSTJZSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CC)C1 1690719511 NXDGNXORHNPVLZ-HNNXBMFYSA-N 425.942 2.210 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1692527729 FSOUTUNXSSUWPU-MTNREXPMSA-N 430.553 2.275 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCc2nccc(C(F)(F)F)n2)cn1 1696851754 ZHHSYPYQDKTMGM-UHFFFAOYSA-N 431.426 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCSC2)c1 1705504759 CUDPEQRUTUOLSV-SJLPKXTDSA-N 438.557 2.039 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1705516850 KAVHRKPZAFRVCM-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCCC1 1705550043 AAPUCBDWQDWZHS-UHFFFAOYSA-N 429.594 2.182 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705570004 JHLBRHKDYFJQGF-GOSISDBHSA-N 429.590 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1c2ccccc2C[C@@H]1C 1705572581 HMRYYFGYTZHXQH-IBGZPJMESA-N 439.523 2.449 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1705698353 SKDODKSOMOCQHE-KPFFTGBYSA-N 445.568 2.370 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1705704752 YZRXGTSHCJQKCO-QFBILLFUSA-N 449.552 2.147 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1705737000 HWJMXXMAFQYYMI-KRWDZBQOSA-N 426.583 2.026 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1705869059 KULXHOUMFLWEQC-REHUZNOOSA-N 442.608 2.197 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)C1 1705924679 FMFYMRSJSVVUQE-MOPGFXCFSA-N 438.594 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1C(C)C 1705939359 WLCXQHDJWVNEGB-BZSNNMDCSA-N 426.583 2.228 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1706231908 MDGVIXRUICPPQQ-KZNAEPCWSA-N 432.569 2.088 30 10 IEEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1706685209 JFVBNPXLAMVOTN-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1706750165 LKEXZVLSBAYDER-HNNXBMFYSA-N 429.550 2.028 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)F)C1 1712710909 VCUMHCCIQSUYEM-MRXNPFEDSA-N 438.504 2.238 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1722347255 GQDMWTLLNUSUQX-SFHVURJKSA-N 436.516 2.432 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1722428839 BWRCSEWXEUGAFQ-CTNGQTDRSA-N 444.624 2.403 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCc2cc(OC)ccc2OC)CC1 1722438481 YEMRWIRSZIIZCJ-FQEVSTJZSA-N 439.560 2.187 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](F)COC 1722664419 ZGIQEQTYYFQUPN-GJZGRUSLSA-N 428.555 2.419 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722695513 GFCJTQYFPLYHGZ-GAJHUEQPSA-N 425.533 2.194 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@](C)(O)c2ccccc2)C1 1722708865 FEWZDHLTGDNEEG-WMZHIEFXSA-N 427.549 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)CC(=O)NC(C)(C)C 1722729618 RATMAECGBDSJOD-UHFFFAOYSA-N 447.605 2.129 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1724017942 NTNJMEMDEYWJQG-VGSWGCGISA-N 426.496 2.256 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730481766 RDLVUFBOQNFLJY-INIZCTEOSA-N 442.499 2.071 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1730868210 HYYVWBVNHJNIDO-FHJLPGHOSA-N 446.596 2.120 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1731091363 AHYDWHHQXDBXRY-PGRDOPGGSA-N 442.589 2.127 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1740534187 XPWGESHRKGKGGE-CABCVRRESA-N 428.518 2.050 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)nn(C)c1C 1740549085 DMIBDRNNDTTXSG-MRXNPFEDSA-N 433.564 2.309 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCCS(C)(=O)=O)c1 1740563105 UMJQUCCDRODMMD-MRXNPFEDSA-N 431.562 2.283 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740617877 YJIVVFIWRLIQKL-VQIMIIECSA-N 432.594 2.322 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740626258 WDIWERCEBGQEEB-KNQAVFIVSA-N 434.606 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCC1 1740655929 GMBOWBHUBSCGDL-UHFFFAOYSA-N 432.576 2.011 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(CC)c1 1740678208 FIMPIYKRWPDGDG-UHFFFAOYSA-N 435.532 2.498 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(F)c(F)c2)CC1 1740704869 VMLAJJLWXNGXJR-UHFFFAOYSA-N 437.454 2.027 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCC[C@H](C)C2)CC1 1740705207 CPYJTZNRXLGTPQ-FPOVZHCZSA-N 442.608 2.217 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1 1740764846 KKHOGBMIPPRLRZ-UHFFFAOYSA-N 431.629 2.190 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740811407 SFBGHZWQZMPMRR-HNNXBMFYSA-N 431.990 2.175 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740852012 HQRHKNYNQVFULN-UYAOXDASSA-N 432.613 2.406 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC)c1ccccc1 1740853976 BYGFOZCSYDGUTN-MOPGFXCFSA-N 433.578 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H]1CC 1740985481 ICNFASAZWWHYSF-HOTGVXAUSA-N 432.550 2.151 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1743259626 KFECGBWPHGLVKG-HXWGJGGSSA-N 440.479 2.224 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1744187062 WZEKYWFCWMNIFD-UHFFFAOYSA-N 432.532 2.484 30 10 IEEE CCCNC(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745777211 CWHYTJLIGDHLMO-IAGOWNOFSA-N 439.568 2.085 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cccn2)CC1 1745793770 FPEZGUZRVUEGAB-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748679307 AZKMVWZUYFRBDH-IFMALSPDSA-N 436.604 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1748687161 DIUBUSYBMCESOH-MRXNPFEDSA-N 432.546 2.148 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748812400 VCTPQRCASQRURY-GOSISDBHSA-N 439.516 2.463 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749420867 GSIPTQPAKDVKTK-GHTZIAJQSA-N 440.596 2.024 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCOC1 1749590100 OTKCAJYLXOZAIN-JOCHJYFZSA-N 426.521 2.119 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1749617296 GSKALKCUYOKVNF-JTSKRJEESA-N 429.521 2.131 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCC2(F)F)C1 1749697592 LGUPMSDQMXFEJV-BZUAXINKSA-N 447.552 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCC(OC)CC2)C1 1749711542 AOWBVXOJIYDCPE-AZUAARDMSA-N 433.597 2.453 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCCS2(=O)=O)cs1 1751773320 PVZRXJDNJLTPLN-QGZVFWFLSA-N 434.591 2.341 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1760172785 ZNDZWHCRFZJTQF-SFHVURJKSA-N 434.585 2.040 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1760188198 NHSJYIGIMUHSLE-ROUUACIJSA-N 438.594 2.352 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCC(=O)N1 1760198472 JDUODKBVOZPCOF-GOSISDBHSA-N 429.480 2.469 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)NCc2ccccc2)CC1 1760260608 ZCQWAKLXGJKQCL-UHFFFAOYSA-N 443.555 2.110 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760357771 IPYFVKMZOWPWDP-GOSISDBHSA-N 425.599 2.074 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760376925 JHUYUAQHHYYVLP-KRWDZBQOSA-N 439.969 2.046 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1760390949 WBZHDGRMCXNHQY-UHFFFAOYSA-N 438.557 2.399 30 10 IEEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760416164 VUZSBJFPHRVDRP-IBGZPJMESA-N 438.532 2.282 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760433379 DTQBBNOAXQJSNU-APWZRJJASA-N 443.573 2.277 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1760505190 NQGFKKDCKIMBRZ-UWJYYQICSA-N 440.610 2.150 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1 1760531320 LDVZUWQOSNHBSJ-UHFFFAOYSA-N 435.532 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1760555480 GNORBOZIRAXGQV-WMZOPIPTSA-N 432.546 2.170 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1767571147 CEJWGLSNCYIJJT-MRXNPFEDSA-N 432.532 2.144 30 10 IEEE CN(C)C(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CCCC1 1768423757 BFPHLHYSQHEHCJ-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CCOCC(F)F)cc1 1771532964 UNBHGUBGVOZBAX-KRWDZBQOSA-N 445.474 2.139 30 10 IEEE Cn1ccsc1=NC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1851517525 CZVRJXVACWFCLD-LSDHHAIUSA-N 429.933 2.024 30 10 IEEE C=C1CCC(C(=O)N2CCc3ncn(Cc4ccc(S(C)(=O)=O)cc4)c(=O)c3C2)CC1 1851761678 LOOWYONEMMAYQM-UHFFFAOYSA-N 441.553 2.326 30 10 IEEE O=C(CCn1cc(Br)cn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851840741 MWZXXVJGMRXQIQ-UHFFFAOYSA-N 431.234 2.296 30 10 IEEE COc1ccc(Cl)c2sc(N3CCN(C[C@@H]4CC(=O)N(C(=O)CC#N)C4)CC3)nc12 1854397740 OJCSPOSVLXCYGX-ZDUSSCGKSA-N 447.948 2.369 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc3cnccc3c2)C(=O)C12CCCCC2 1854400837 CVIMIQFPONDWQE-UHFFFAOYSA-N 426.498 2.075 30 10 IEEE CC1(C)C(=O)N(C(=O)c2c(F)cccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1854453828 VREUDPLGRUWSJX-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)N(CCO)[C@H](C#N)c3ccc(F)cc3)ccc21 1857960205 GEQWWDOINPOKQA-OAQYLSRUSA-N 431.489 2.373 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862609638 RHNXASQUNSVDFH-ODXCJYRJSA-N 441.436 2.131 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(N(C)C)cc2)c1 1862701783 NFJDZIQDTZRXDH-OAQYLSRUSA-N 437.496 2.476 30 10 IEEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870151045 ZZZHSHUUSUULKE-UHFFFAOYSA-N 428.452 2.498 30 10 IEEE CCCOc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874338807 YWBDQAYVDSSKFL-BRUSPLQXSA-N 444.561 2.251 30 10 IEEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)co2)no1 1891717240 FHPKRUVAOXAZGV-OAHLLOKOSA-N 436.428 2.421 30 10 IEEE C=C(Br)CS(=O)(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2121790893 ZBPGCQJBNISXRI-UHFFFAOYSA-N 430.173 2.356 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2224073478 MQMPYKDXYXZBBL-RDJZCZTQSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@H](O)C#Cc2ccccc2Br)C1 2227484851 SRMDYZICWXEIFT-CVEARBPZSA-N 444.347 2.196 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NOCCNC(=O)OC(C)(C)C 2255542143 NNVZTTXMZZAKIR-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2255634988 CUVAVQKXKLZZEP-BTTYYORXSA-N 449.382 2.285 30 10 IEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255636116 PVWFNKWNDSBHCB-CHWSQXEVSA-N 449.382 2.380 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255646300 NJNBGFYFSLCZMK-RDBSUJKOSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255809818 DNLOOCMMGDQSTC-KBPBESRZSA-N 449.382 2.381 30 10 IEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)CNC(=O)OC(C)(C)C 2255838755 KZUZSFWBOBYMBG-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)o2)OC1(C)C 2255847107 NSRBKHPDESKWIK-GFCCVEGCSA-N 430.232 2.110 30 10 IEEE C[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@H]1NC(=O)C(F)(F)F 2256889132 AKLFBJGDCCUBRS-SMDDNHRTSA-N 431.239 2.413 30 10 IEEE C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1Cc1ccccc1 2267188120 HXSOKMDCEQBEDO-MJGOQNOKSA-N 438.381 2.454 30 10 IEEE Cc1cccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267227732 VGCWPEOOXISOHK-INIZCTEOSA-N 448.369 2.252 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267276226 ZKWDTHMJGRRDDQ-WNSKOXEYSA-N 445.369 2.311 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267878998 DPFQHGBNJZHCDD-UHFFFAOYSA-N 433.321 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268705966 INCSPOLODHLYFU-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@](C)(C(=O)O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2306545366 CWVQQWFKMHAPFH-WMZHIEFXSA-N 428.533 2.407 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)c1 2323570820 XLOYZUIFGZTQSJ-UHFFFAOYSA-N 434.452 2.481 30 10 IEEE COc1[nH]c(=NC[C@H]2CN(Cc3ccccc3)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339786344 KDIOPMQZJSDAQK-IBGZPJMESA-N 439.365 2.124 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H]2COC[C@H]12 2345742204 XPBGJURKENRMLO-KBRIMQKVSA-N 449.332 2.248 30 10 IEEE CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 443359921 QRNCFSDDGRXXIA-UHFFFAOYSA-N 430.305 2.030 30 10 IEEE COc1cccc(N2CC[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)c1 464948897 FZEPEDMJFYBEPJ-ROUUACIJSA-N 435.532 2.103 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nc1C 465006356 GERWLNPDYIECGQ-TZMCWYRMSA-N 443.533 2.271 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 469014718 MZKFYEOFSWHDBF-UHFFFAOYSA-N 431.493 2.405 30 10 IEEE Cc1ccsc1-c1nc(=NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s[nH]1 473832359 ASXNMPFWISOQME-GFCCVEGCSA-N 426.531 2.401 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)nc1 474331147 RDBNEKTUKYCJIF-UHFFFAOYSA-N 430.533 2.036 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CSC[C@H]3C(=O)N(C)Cc3ccco3)CC2)o1 475453380 MYEKRYRWHCWJEX-SFHVURJKSA-N 443.529 2.224 30 10 IEEE N#CC1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)CC1 479220805 SHWPGYCEBAOEJO-UHFFFAOYSA-N 435.484 2.389 30 10 IEEE CS(=O)(=O)c1nc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c2ccccn12 479290770 SYPCSJZYKIDDEM-UHFFFAOYSA-N 437.525 2.026 30 10 IEEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 488278746 CYFNFXQWHIGOSR-IAGOWNOFSA-N 439.516 2.267 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)C2=O)cc1 489254852 NMYJKTCWFWOLJH-WOJBJXKFSA-N 436.537 2.071 30 10 IEEE C=CCNS(=O)(=O)c1cc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)ccc1F 545700368 FVOKKBQFBVZYIJ-UHFFFAOYSA-N 445.476 2.239 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 562037011 ULEBWPXWNBCOIC-APWZRJJASA-N 443.515 2.293 30 10 IEEE Cc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC[C@@H]2CCOC2)c1 586863964 GHGWZGCDQFCAKK-QGZVFWFLSA-N 425.460 2.354 30 10 IEEE COc1cccc(C[C@H](C(=O)N(C)CCOCc2ccc(C#N)cc2)n2nnnc2C)c1 589112393 FROSYLVFKQGKRW-JOCHJYFZSA-N 434.500 2.321 30 10 IEEE Cc1nc(=NC(=O)CCCCN2C(=O)c3ccccc3C2=O)n(-c2ccc(C#N)cc2)[nH]1 617139068 BQXAEUCHYIPGEY-UHFFFAOYSA-N 428.452 2.274 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 618786459 RLLDQVJXDCZWEE-MJGOQNOKSA-N 428.514 2.368 30 10 IEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669808549 GVADIAOEOLEYLA-OAHLLOKOSA-N 442.545 2.238 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1-c1cccc2cccnc12 731545649 CUTNYUKLAMPCBK-UHFFFAOYSA-N 432.465 2.255 30 10 IEEE C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 734599403 IYIQHJOAUBEBDL-NSHDSACASA-N 436.877 2.041 30 10 IEEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CCO1 741256019 UOZOLERSJMZXEE-HXUWFJFHSA-N 440.500 2.177 30 10 IEEE COc1ccc(COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746966351 ZEWSMWOICOBEJQ-UHFFFAOYSA-N 434.445 2.084 30 10 IEEE Cc1occc1-c1nnc(SCC(=O)O)n1N=CCN1C(=O)c2ccccc2C1=O 755599485 SRDZKNFPCNYMEA-UHFFFAOYSA-N 425.426 2.153 30 10 IEEE Cc1sc2ncn(CCC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(=O)c2c1C 757595012 ODINEWCALCHXQH-CABCVRRESA-N 445.545 2.340 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2cnn(-c3ncccc3C#N)c2)c1 763361494 KTTJVLLFQSFJCT-UHFFFAOYSA-N 427.515 2.198 30 10 IEEE COc1cc(OC)c(Cn2nccc2NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)c1 779481795 AKJGUEKQTVEGEL-MRXNPFEDSA-N 440.504 2.161 30 10 IEEE COc1cc(C)c(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(C)n1 781573062 ZWDGDIJFFDMGLX-UHFFFAOYSA-N 449.489 2.082 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C)c1cc[nH]n1 789988016 YRGTVMLFEARMSL-APWZRJJASA-N 428.489 2.299 30 10 IEEE C[C@H](CC(=O)N1CCC[C@](CO)(c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 801474956 ZYZPJZRFRYESIE-HXOBKFHXSA-N 441.553 2.056 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 813723200 BDMODUDGGRFFHV-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CCC3)c2=O)cn1 814253440 FMYMIFRWMFWUAD-UHFFFAOYSA-N 434.521 2.246 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)[C@H]2COc3ccccc3C2)c(=O)n(-c2ccccc2)n1C 916960384 CGZOTKJNOYLWOZ-MJGOQNOKSA-N 430.464 2.383 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 917095798 PNHPLYKDEDWWRH-HXUWFJFHSA-N 443.525 2.246 30 10 IEEE CO[C@@](C)(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)OC(C)(C)C 1125189576 XVCIVFJHSJYFRY-OFXNXBLFSA-N 439.534 2.185 30 10 IEEE C=CCOc1cccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1 1125422036 CCCPDOSCFTYKSI-QVKFZJNVSA-N 436.530 2.472 30 10 IEEE C=CCN(C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1128110923 GSZWCIVINZBCAD-FPOVZHCZSA-N 438.528 2.352 30 10 IEEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C(C)(C)C 1133976950 LAJZDEKWSCURFR-UHFFFAOYSA-N 447.601 2.177 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 1135762266 DUKCVPRSZMKSGR-HXUWFJFHSA-N 426.473 2.146 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 1142710807 QGSYFXFQVDICBG-GOBJLOIFSA-N 425.876 2.454 30 10 IEEE COc1ccc(CNC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)cc1C#N 1153351299 GPFLIPGQAJNJSC-PREXVCJDSA-N 435.402 2.169 30 10 IEEE C=C(C)CN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)Cc1ccc(CO)o1 1170193546 HHXWFYUIHRZCJC-UHFFFAOYSA-N 430.457 2.362 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cnn(-c3ccc(Br)cc3)n2)c1 1264841239 FUYONGJMBKIGLC-UHFFFAOYSA-N 438.285 2.404 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1286479575 HLOJWNCDNZKRJM-NRFANRHFSA-N 437.592 2.217 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCC1 1286516653 JQQCTKCUGAHLDJ-FXAWDEMLSA-N 437.610 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@H]1C 1286548953 VNCRPJNOSLDLCJ-SFFUCWETSA-N 425.599 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286557106 HDPPQVPDRDELLC-BJLQDIEVSA-N 439.626 2.223 30 10 IEEE C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1286773092 YYEGXGSKRTZBFN-HUUCEWRRSA-N 430.509 2.209 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286775356 FCJHIJINIZNBRI-PMACEKPBSA-N 437.592 2.076 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286788842 HVQAMALAEXLCTA-IBGZPJMESA-N 427.524 2.442 30 10 IEEE CC(C)(C)OCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1287080430 QKXKKMHJIZSIIQ-KRWDZBQOSA-N 446.939 2.405 30 10 IEEE CSc1nc(O)c(C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1C#N 1288269646 YEZPQUNQRZBMNP-QFIPXVFZSA-N 438.509 2.024 30 10 IEEE C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 1291186191 BFTMGQAXDDZIBE-DDOIHHOZSA-N 443.596 2.247 30 10 IEEE Cn1cc(CNC(=O)CC2(NC(=O)OC(C)(C)C)COC2)c(-c2ccc(C#N)cc2)n1 1296264853 MXYZOOCAWDRNHX-UHFFFAOYSA-N 425.489 2.259 30 10 IEEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1298180119 GXWMVCXUSYNBHY-MRXNPFEDSA-N 446.504 2.220 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1300336419 HTUAYANWBVOSFD-LJQANCHMSA-N 429.565 2.340 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1300488853 HCVVLBQIGRHXKT-LJQANCHMSA-N 428.558 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCN1CCCS1(=O)=O 1300564035 RHSONFPPLBDADT-UHFFFAOYSA-N 437.525 2.190 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cccn(CC)c1=O 1300664882 GJTFYLWKGLBYLN-UHFFFAOYSA-N 449.511 2.032 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC2(OC)CCC2)CC1 1300722547 KQJYSHLQMJICTM-IBGZPJMESA-N 429.565 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300868580 FPOCDLCVTHICIL-RTWAWAEBSA-N 445.589 2.220 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301047473 ICTHLMCRWSDWOO-UHFFFAOYSA-N 438.001 2.033 30 10 IEEE CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1301212852 HYVFXTSXDFARPA-UHFFFAOYSA-N 425.272 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1301491703 VHNMLUZGORAFOT-UHFFFAOYSA-N 446.511 2.447 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC 1301502302 FYZQFKGIKFVQLC-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1303647421 WMLNXHOQKOACJD-CABCVRRESA-N 441.536 2.430 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)c1 1304285047 DTSWIXNIOKGCMJ-JOCHJYFZSA-N 426.496 2.442 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(F)cc2F)c2nccn2C)c1 1304757675 RLNSHJURRGAXLK-IBGZPJMESA-N 444.463 2.129 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 1309653432 CHLTUFGHEHGNOE-UHFFFAOYSA-N 442.603 2.419 30 10 IEEE CCOCCn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OCC)CCOC1 1314494043 YJQAPEBEEGDUTR-NZQKXSOJSA-N 441.532 2.416 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1316142503 JKLLIVIGSLRNDJ-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1 1319677300 MHMZLHCKEHYUIO-UHFFFAOYSA-N 437.521 2.340 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2CC[C@@H](OC)C2)cn1 1320974129 JJKLRKPEZGZDJS-ARFHVFGLSA-N 443.533 2.221 30 10 IEEE Cc1cnc2c(cnn2CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 1357484521 RNYRAYUKOXYFCK-MOHJPFBDSA-N 426.502 2.191 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1358920524 APMUXAZARHNKTN-SJLPKXTDSA-N 429.496 2.312 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1358967137 DYGUNCCOQOFXHJ-IEBWSBKVSA-N 432.521 2.252 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CC(OCC)C1 1358971054 GOLVSNKZKWQQMN-UHFFFAOYSA-N 430.512 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358974551 JGPVSAYHDMZKLF-LJQANCHMSA-N 442.445 2.153 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCc2cnn(C)c2)CC1 1359043387 RZCSUSGRQCJMSV-UHFFFAOYSA-N 449.534 2.416 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359061825 NDSCRTSGHUANNT-QGZVFWFLSA-N 441.557 2.043 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359144452 IXRILWJPTKNJPP-DOTOQJQBSA-N 449.964 2.158 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(CCC)C(=O)C1 1359296698 QWYVAVPKHWJSQF-UHFFFAOYSA-N 447.543 2.244 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(I)cn3)C2=O)cc1 1448852730 XHPFUTRTJQCWHB-INIZCTEOSA-N 446.248 2.089 30 10 IEEE N#C[C@]1(NC(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCc2ccccc2C1 1459131994 JYYFQRVOEBEMNN-NVQXNPDNSA-N 446.551 2.327 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1460710456 NMJPVERHSVBJTH-UHFFFAOYSA-N 425.445 2.378 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)nn1 1470584395 PKTCXNBXKDNONT-INIZCTEOSA-N 446.939 2.247 30 10 IEEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(CC2CCC2)c1 1472303387 FZPMXOHUTWHRJK-HNNXBMFYSA-N 429.546 2.379 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)cn1 1478506886 GCHHSXVIPGBMKT-OAQYLSRUSA-N 432.528 2.019 30 10 IEEE COc1cc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(Br)cc1O 1478922828 DZROCHNWUMFYFG-UHFFFAOYSA-N 446.305 2.462 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2C[C@H](F)C2)c1 1505122790 XTYZXBKOVLVLPY-XIRDDKMYSA-N 433.509 2.216 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC(F)F)CCO1 1505324053 ZQFCLNDNMSTHOM-KRWDZBQOSA-N 429.431 2.489 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCN(CC)CC1 1507524407 BFJWRHMRHPCXIW-RTBURBONSA-N 438.576 2.200 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507742055 ABPLWDINJSTUOK-KRWDZBQOSA-N 432.569 2.110 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507746625 AIHQNZIJFXYZKQ-AWEZNQCLSA-N 437.547 2.089 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCC(=O)NC 1508073056 LWGUGNZOUAXBLI-AWEZNQCLSA-N 430.578 2.006 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(C)COCCO2)C1 1508124979 GQQIBXZHRZPCOI-AUSIDOKSSA-N 428.533 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccn1 1508140101 KPORECANQYJDBO-UHFFFAOYSA-N 433.925 2.021 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513035649 DTNDSFMHTWCDFW-RWNPKEDZSA-N 429.569 2.096 30 10 IEEE CCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513852597 CZMYDVFJTNWVMG-YIYXVTKBSA-N 436.516 2.369 30 10 IEEE CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514819115 QBBPBHNPHLPAKI-ROUUACIJSA-N 445.568 2.173 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1515499725 IXEFGZMWLJPYER-GOSISDBHSA-N 427.509 2.226 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1516129403 HIYSIMRSSDJCHN-JTSKRJEESA-N 432.569 2.175 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 1517017312 NODIWGLCPSNRHF-FQEVSTJZSA-N 431.539 2.284 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCCCO)cc1 1521089283 AVKZVMIEROZIQE-FQEVSTJZSA-N 437.573 2.109 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)C1=O 1530710066 MOYAWNOSSAYRBH-UHFFFAOYSA-N 439.390 2.100 30 10 IEEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1531977800 HEINTLRGYMXWPG-NYHFZMIOSA-N 443.573 2.405 30 10 IEEE CN(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C(=O)c1ccc(Br)o1 1538614552 HNZYNSISPBUBDC-UHFFFAOYSA-N 443.261 2.264 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1539202714 KJQYQJVBJXIYIG-SJORKVTESA-N 444.557 2.042 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539226210 VECNIPSZBBKJGP-MRXNPFEDSA-N 441.538 2.070 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCOC2)CC1 1539474482 RJYRVIDMCQVVER-SFHVURJKSA-N 437.544 2.346 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(CC)CC1 1539570377 UUEHFGLHCJFJPT-AWRGLXIESA-N 444.624 2.022 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539735737 ORNHUBCFVNGQDA-JOCHJYFZSA-N 429.521 2.257 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNS(=O)(=O)CC)CC1 1539836589 XBDSYQZFWIOPQV-UHFFFAOYSA-N 443.371 2.131 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539915886 FRYJLNUXRZYIEO-NYHFZMIOSA-N 430.553 2.199 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1540005784 OCSIFZXDUPVUOK-LSDHHAIUSA-N 433.525 2.059 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nnc(C)s2)C1 1540882362 HIINAUUWSSGYQT-HNNXBMFYSA-N 440.533 2.109 30 10 IEEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C 1547836440 DPCCEOPTZRNABI-VQTJNVASSA-N 440.548 2.219 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1555557202 PPEMFVHOHHEZFC-GOSISDBHSA-N 448.531 2.098 30 10 IEEE COCCOC1(Cn2c(-c3cccn3C)nnc2N2CCC(C#N)CC2)CCOCC1 1555679971 XLSNBTVKWBNBTQ-UHFFFAOYSA-N 428.537 2.236 30 10 IEEE CN(CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C(=O)c1cccs1 1557389635 HLZYEAGFTVQVLF-UHFFFAOYSA-N 434.525 2.431 30 10 IEEE C=CC1(CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1566304107 SOYLLBJHTWUZIB-UHFFFAOYSA-N 429.517 2.490 30 10 IEEE COC(=O)CC1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOCC1 1568978145 AEHUPDDOBOQQFF-WCCYLALTSA-N 449.548 2.249 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1=O 1586913310 DXTQYOWOLGNFAV-UHFFFAOYSA-N 436.512 2.020 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CC1 1587555217 DEPFBIZEIICNAS-MRXNPFEDSA-N 429.546 2.182 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCCC2)c1 1587689854 RLKAEDWFSCSVKF-UHFFFAOYSA-N 446.559 2.221 30 10 IEEE C#CCCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587893615 GDBTXZFFLUEPNS-IBGZPJMESA-N 429.487 2.416 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588044986 DYSXUDXMVGOHRJ-LJQANCHMSA-N 439.541 2.419 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(CC)CC)CC1 1588791520 XVOLVTCVTWNMLG-LJQANCHMSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C(C)C)C(C)C)CC1 1588865622 YNZPRPMJKYPLRD-UHFFFAOYSA-N 440.640 2.404 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1589060201 OKJRJIIMRADMPX-GOSISDBHSA-N 440.573 2.347 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)=O)CC1 1589069124 IUWJZWQKKHQRQC-FQEVSTJZSA-N 441.557 2.262 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1593691158 SKTSFCOKNDILCU-KRWDZBQOSA-N 431.541 2.160 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1593752532 KPRNSBWMVMPDET-UHFFFAOYSA-N 433.578 2.260 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCCO3)CC1 1594013007 AQLJPAKJFZJAAE-MRXNPFEDSA-N 447.561 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1 1595777394 MBOIYCIEPGZAFX-UHFFFAOYSA-N 427.530 2.177 30 10 IEEE CC(C)(C)OC(=O)NCC1(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCCC1 1607490565 YGBRPHCLBLWHMT-UHFFFAOYSA-N 445.520 2.069 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1611414597 VPHYZTGZUYPSMF-SQNIBIBYSA-N 448.568 2.404 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C1 1611489048 BJZFVNQMGHLMHD-QGZVFWFLSA-N 425.286 2.289 30 10 IEEE CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1614239867 NEZOBAJJUSARQS-YLEKHRKWSA-N 446.577 2.378 30 10 IEEE N#Cc1cccc(CC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)c1 1616415362 FPNBNMHDXIYMRC-GOSISDBHSA-N 445.260 2.405 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1ccc(C#N)o1 1619406931 HVDRNCGWMQHDNO-HNNXBMFYSA-N 443.529 2.260 30 10 IEEE COCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CCCC1 1619793158 FITWMWBQIQWIIK-OTWHNJEPSA-N 433.553 2.328 30 10 IEEE CC(C)Oc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1627137387 XPAXAHDBUGGXSV-SUMWQHHRSA-N 427.320 2.247 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C 1627389486 BZFFAQHXPJWXFL-LJQANCHMSA-N 444.532 2.044 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)CC1 1644285581 RMQWHQUUDUZIIO-NTMALXAHSA-N 433.530 2.179 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1cncc(C#N)c1 1652271389 JZRQIYZTENRUQY-UHFFFAOYSA-N 428.514 2.457 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 1654967016 PTCKBDHFLKHTQZ-NRFANRHFSA-N 448.585 2.380 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1655558599 QJNOGTKCPYWIEJ-SFHVURJKSA-N 445.545 2.310 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 1657701180 GSZQIBRJRSCKIF-KRWDZBQOSA-N 429.498 2.157 30 10 IEEE N#Cc1ccc(CCNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 1658458865 GMJZZNQOASRPHH-UHFFFAOYSA-N 432.477 2.082 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1662049372 OBGQKRYKMKIDRE-NHCUHLMSSA-N 445.493 2.443 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 1665158847 HASWGDDZHHEUIO-UHFFFAOYSA-N 434.558 2.215 30 10 IEEE CS(=O)(=O)C[C@@H](NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)c1ccccc1 1671055017 HEJOTBOWFSFKQV-RBUKOAKNSA-N 427.530 2.325 30 10 IEEE C#CCOc1ccc(CNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1672951786 IAGAFCNSWOBZBM-INIZCTEOSA-N 429.274 2.219 30 10 IEEE CCO/C=C/[C@](O)(CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1681515773 LEEAWGBCXPWIQC-UCDJQPBSSA-N 440.422 2.196 30 10 IEEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1687113946 BVLPKVCLKRYAGZ-UHFFFAOYSA-N 432.374 2.202 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1689984013 JPIZOMJGWYKAHN-KRWDZBQOSA-N 432.546 2.290 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1690190572 ZLVKZXHUVQXSTJ-IIBYNOLFSA-N 431.562 2.246 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 1690310299 ZMJAIRIGJUNMGP-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690508597 LRKNELROSIVXCA-IBGZPJMESA-N 434.585 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1690732067 VCDFVHIYWCHUOG-FXAWDEMLSA-N 426.583 2.157 30 10 IEEE C=CCSCCn1c(C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1690736270 YKKFDKZVPNVNAR-UHFFFAOYSA-N 426.590 2.217 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1694211381 COAMFSDOSBLEKX-YLJYHZDGSA-N 449.559 2.323 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C(C)C 1705583145 RIXGFGJXYLFAFH-IBGZPJMESA-N 440.569 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(C)s1 1705598658 OGJZPSGYKVBHTH-UHFFFAOYSA-N 447.572 2.123 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)CN1CCOCC1 1705606943 LGLOTFLLHZUHJB-GOSISDBHSA-N 427.549 2.390 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1705632341 MQGABNSOPFSIDL-LJQANCHMSA-N 428.606 2.292 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCC(=O)NC(C)C)CC1 1705642858 JUAMRMPEUSKBPY-UHFFFAOYSA-N 438.576 2.089 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1nccs1 1705652454 ZXUKRSZDXZUUHO-UHFFFAOYSA-N 427.559 2.427 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705761216 DXYDJEFFUPTVFN-IBGZPJMESA-N 439.564 2.439 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCOCC2)CC1 1705781077 OZSXVFJAZXIWMP-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705817803 STASPJFBNPGOCZ-ROUUACIJSA-N 425.599 2.246 30 10 IEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1705818439 JXHKHSXWGGTXQI-UHFFFAOYSA-N 435.550 2.376 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705929907 AJLPEMNWVLCXJN-HKUYNNGSSA-N 445.589 2.088 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)O1 1708830147 LTCKURNAQOOYDD-GHTZIAJQSA-N 446.577 2.150 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1710881943 QSYYNMIUVOGAIY-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1NC(=O)CC1(C)C 1711999981 GSGZPKJXPFMTQX-QAPCUYQASA-N 426.521 2.376 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1OCCC1(C)C 1712455445 XOVJJUKGLLUVFG-QGZVFWFLSA-N 430.509 2.187 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1712499416 QZLHOQDSENLDMM-HOTGVXAUSA-N 437.504 2.154 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1722297209 YRSJWIRIRSZTKX-NVXWUHKLSA-N 432.546 2.094 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CC=CCC1 1722301904 OQJDUMUVOBVZTF-QHCPKHFHSA-N 447.631 2.363 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722318677 QSSNCWVAEKQMSF-NRFANRHFSA-N 425.581 2.102 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722319990 RDFHCLSLLYJUTI-OAQYLSRUSA-N 442.608 2.458 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722412720 OSMPEYDGBJBQNF-LJQANCHMSA-N 431.544 2.392 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC[C@@H](O)C1 1722427462 VNRNLNBZXOXXJI-UEXGIBASSA-N 426.517 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN(CC)CCC(F)(F)F)CC1 1722447722 OCKALMRMANDANO-UHFFFAOYSA-N 428.503 2.081 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1722510233 SGOOKYFFNPVKHX-NQIIRXRSSA-N 432.613 2.106 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(C)=O)c2)CC1 1722559963 NBRNEPUQXIVIHT-HNNXBMFYSA-N 432.550 2.051 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCC2)C1 1723006858 OKBWIDDRRKCREV-QEEYODRMSA-N 434.516 2.406 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C[C@H](C)O1 1726667523 XCXXUJIXRPFOOQ-HOTGVXAUSA-N 429.546 2.255 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1726680503 QVISGFKDWNOAGB-UGKMNXKKSA-N 439.545 2.197 30 10 IEEE CO[C@@H](Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1729881177 DAAFRMHBZHBYSN-IBGZPJMESA-N 426.569 2.457 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1730850598 IAPBYDVEYWZEIF-NNMXDRDESA-N 434.585 2.100 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC[C@H]1CCOC1 1740635361 VMNREIMPIDQFEJ-LJQANCHMSA-N 436.512 2.232 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1740658799 FLSAYUUIKUQHOB-SFHVURJKSA-N 442.564 2.291 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCc1nc2ccccc2[nH]1 1740678759 RDOJSOMVBLEPGO-UHFFFAOYSA-N 435.532 2.109 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1740689110 ZWLDHCKGLIEMAU-FQEVSTJZSA-N 445.527 2.274 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN(C)CC(F)(F)F)CC1 1740705232 DSPOIOBFJWFPAK-UHFFFAOYSA-N 426.487 2.006 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740718077 HMPIYYMZJXUDJI-GOSISDBHSA-N 430.578 2.075 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740730175 UOTJYUIYYSLMRO-DENIHFKCSA-N 438.557 2.233 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740768575 MKQOOILNUBYJIB-XLIONFOSSA-N 426.583 2.157 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1740889961 OINXSPYNQNYVNE-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nnc(C)s2)C1 1740973497 YGWYDTPIRKQQSH-UZLBHIALSA-N 434.566 2.114 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741988312 NQTUAWSPRQGKRG-VGVBMJIYSA-N 439.520 2.176 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCCCCCO)CC2)c1C#N 1742669883 RZFDBEOGEMCNPT-UHFFFAOYSA-N 426.569 2.339 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOc1ncccc1Cl 1742835146 FBKPNWZUGXRYJH-AWEZNQCLSA-N 439.911 2.091 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1745953197 BJIOHGFBZVIBNK-MRXNPFEDSA-N 443.558 2.038 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 1746435359 RIBVLDWMNXCWAZ-SIKLNZKXSA-N 437.592 2.458 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1747981145 YZASUOMZNMAULW-UHFFFAOYSA-N 436.520 2.279 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1N(C)CCCC1(C)C 1747997033 FZQGMERLIBZEQV-LJQANCHMSA-N 444.605 2.418 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1748747919 OQXZMOHWNWUBQD-PGRDOPGGSA-N 427.936 2.480 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1748906481 VINMGDSQQGCAMC-ICSRJNTNSA-N 444.605 2.185 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)cc1C 1748948570 RNMRBBUTCCGSAE-UHFFFAOYSA-N 447.543 2.434 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2cccc(F)c2)CC1 1748971725 ZSUHRFDODNDHND-UHFFFAOYSA-N 442.539 2.170 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1748993167 QEAGEJIKCLRGSN-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(C)C)CC1 1749000864 BYFBNQOLHDJZPR-UHFFFAOYSA-N 428.581 2.162 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@@H]2C1 1749043169 FEUPCWXUXVMDQP-QGZVFWFLSA-N 444.630 2.311 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1749047871 FKBDDZYQSSVAMG-QGZVFWFLSA-N 431.537 2.468 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)CC1 1749342989 URRIPUYRZZZKSB-MRXNPFEDSA-N 449.602 2.074 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749456954 NPTCOVYLIVALIX-IRXDYDNUSA-N 427.505 2.098 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1)C1CC1 1749519037 DSEWKGIKAAHULQ-GDBMZVCRSA-N 445.536 2.201 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1749544915 QSMAHLFVDOFFPX-NRFANRHFSA-N 428.562 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749664609 UDOCSPYCHKFZQA-ROUUACIJSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC2CC2)CC1 1749727456 VAAFBDKOZRWCFN-UHFFFAOYSA-N 445.589 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749733793 CMTNIVLVOOTNSI-LAUBAEHRSA-N 440.610 2.242 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1751098510 HZOSNKMUBAVSFJ-CABCVRRESA-N 429.529 2.265 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760122154 YIKHGQMSEVQBIP-WMZOPIPTSA-N 436.482 2.375 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760138073 QUEKEHOOAZMVGN-MOPGFXCFSA-N 449.621 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)Oc1cccc(OC)c1 1760193908 VLJGYSXXSQIPBL-GOSISDBHSA-N 444.495 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC(=O)N1CCOCC1 1760223087 JZTIEXMDCRAYEN-UHFFFAOYSA-N 437.569 2.201 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1760240993 LGSWWDVZLOGWGT-IBGZPJMESA-N 447.474 2.107 30 10 IEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCOCC1 1760280509 RBALCIUXHXAMKK-UHFFFAOYSA-N 438.557 2.439 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760306165 CULHQMQTNOCOFR-UONOGXRCSA-N 428.331 2.358 30 10 IEEE C=C(C)Cn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760349768 ZEPXPGKPPFPUDJ-HSZRJFAPSA-N 443.523 2.494 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760373011 DKEBPFWRSDMYAZ-KRWDZBQOSA-N 434.972 2.457 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760427132 POIVFHUZPOAZLO-UHFFFAOYSA-N 446.559 2.441 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2OC)C1 1760541957 IVIHYNUBHGHDDK-OALUTQOASA-N 441.532 2.270 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(N(C)C)CCOCC1 1760929884 ALOORAVKIJWRLE-UHFFFAOYSA-N 438.580 2.106 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1761360582 PDHYVSPDBJAUEN-MRXNPFEDSA-N 444.561 2.236 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1761439949 IERKMZDHRLDNNK-MRXNPFEDSA-N 445.568 2.415 30 10 IEEE Cc1ncsc1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1761614814 XBJCQNUCOIHUSZ-JXFKEZNVSA-N 432.550 2.055 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)S1 1763089409 KSUZIVMCCXSGEP-CPUCHLNUSA-N 439.545 2.135 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccncc1Cl 1764909620 PDYKDXUQLMDLMH-UHFFFAOYSA-N 425.928 2.177 30 10 IEEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1 1766501612 SRVXQXBSQDINPQ-INIZCTEOSA-N 438.598 2.225 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2noc(CC)n2)CCOC1 1767448431 BLJZMNHQNWOCLS-LEWJYISDSA-N 429.525 2.248 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1769198908 FFTQUEGRHUMXEY-HZPDHXFCSA-N 434.566 2.216 30 10 IEEE N#CCCN1CCN(C(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)CC1 1848501595 PVNGDKZFNLJALL-UHFFFAOYSA-N 444.539 2.095 30 10 IEEE CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)C1=O 1851241093 MELZSHCESVITRK-WBVHZDCISA-N 442.859 2.474 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c1C#N 1853332663 VSCHNQPIUJKWFA-KRWDZBQOSA-N 427.530 2.254 30 10 IEEE Cc1c(CN(C(=O)c2cccc(C#N)c2)[C@@H]2CCCN(c3nccn(C)c3=O)C2)cnn1C 1853472862 YBKMJNHFGPZOQG-OAQYLSRUSA-N 445.527 2.005 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3csc(C)n3)C3(CCCCC3)C2=O)CC1=O 1854107471 RMGXKXNZKDCPFV-KRWDZBQOSA-N 430.574 2.360 30 10 IEEE CN(C)Cc1ccc(CCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1 1854912266 LSVGQRXVCPUQDK-FQEVSTJZSA-N 443.525 2.100 30 10 IEEE COc1cccc(C(C)(C)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 1858488123 UGOAYHCACFJXFY-UHFFFAOYSA-N 427.526 2.378 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1C(=O)O 1862738726 IFDGXIVDAWKDIK-APPDUMDISA-N 426.381 2.252 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN(CC)CCO 1870519892 LRUIIZABBYCIOQ-UHFFFAOYSA-N 439.597 2.164 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874340805 UUOXHDUJKIRMNB-PZUDMAOCSA-N 432.506 2.267 30 10 IEEE CCn1nc2c(c1C(=O)N1CCC(OCC#CCN3CCN(C(C)C)CC3)CC1)CCC2 1889339304 UHNWDZIDLDLEGB-UHFFFAOYSA-N 441.620 2.042 30 10 IEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)C2)c1 1891294430 BPQOCMZNEUVVDJ-HXUWFJFHSA-N 429.480 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060823179 FIILWHRNCLWLER-PMACEKPBSA-N 438.532 2.082 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)cc1 2070731797 QHQPGVARBQPTQX-LSDHHAIUSA-N 449.547 2.055 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2232252431 VCDNYVTZKWGKLO-UHFFFAOYSA-N 446.401 2.157 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905449 UBKVQIPRJKFXKG-LSDHHAIUSA-N 448.366 2.441 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2253627482 BCMDRRLZXXASRB-UHDSXZAQSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255377268 MGILGYZDJFYMSO-JOCHJYFZSA-N 433.358 2.237 30 10 IEEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255604939 IQBVUPSIAYZHJZ-BETUJISGSA-N 435.334 2.073 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2255609469 HJVXVAPGZVNZOE-AGGWBTHJSA-N 449.382 2.346 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255626183 BZVJDJVGGKKRCK-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2255626688 JBKGPSSAEDZRFE-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255698252 OFCOUELUUASSCD-MRXNPFEDSA-N 433.358 2.406 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255806128 DKNIOKCBWFSVJX-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255816230 AZEZIFIFHVJSLU-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2255836699 CUVAVQKXKLZZEP-ZIAGYGMSSA-N 449.382 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](C(=O)O)C1 2255851230 NMYLNARSHPEBBG-ZNMIVQPWSA-N 438.330 2.391 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2257490655 FSPNGGYHYQIEPZ-ZBFHGGJFSA-N 431.342 2.332 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2267179910 AHWIVJZFRQGUOM-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE Cc1cccc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267237329 NRFJAKRGIJFESW-IRXDYDNUSA-N 446.353 2.316 30 10 IEEE CCc1nn(C)c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507489 OVTIQSZVDCAIJG-CQSZACIVSA-N 448.373 2.021 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268647738 QUFKVIHAZQMPKR-GDBMZVCRSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2314143531 CXEOIURPYNXXES-ZIAGYGMSSA-N 432.330 2.265 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)cc1 2327880737 LPDKPISCRQQJRQ-CQSZACIVSA-N 431.518 2.245 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2337179924 VXYQGPFAMZUEQE-RTBURBONSA-N 436.365 2.066 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339262416 WSJUHRHYCHQSHJ-HKUYNNGSSA-N 443.353 2.444 30 10 IEEE COc1[nH]c(=N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2339786365 KLAQZEDZXPNUDB-BFYDXBDKSA-N 445.369 2.479 30 10 IEEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1ccccc1Cl 20292261 NLEAGYVACWQICP-DNTJNYDQSA-N 433.881 2.233 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)c1 20527619 CEPRHJYEQIYUDN-WSDLNYQXSA-N 440.533 2.243 30 10 IEEE C=CCOC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)OCC=C)C(=O)C[C@@]1(C)O 36057960 FYTVLKXIRDHQFJ-XFGYDDDFSA-N 432.469 2.202 30 10 IEEE N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C(=O)N2CCCC2)S3)cc1 65021453 KWAHUIDUBOLOFI-SFHVURJKSA-N 442.522 2.394 30 10 IEEE O=C(/C=C1/NCCc2cc3c(cc21)OCO3)c1ccc(=O)n(CCOc2ccccc2)n1 102698928 NDPBKFZVOHMJMI-XSFVSMFZSA-N 431.448 2.421 30 10 IEEE N#C[C@]1(N)CCC[C@H](n2cnc(I)c2I)C1 404004753 MSQPMZZHOVTODB-XVKPBYJWSA-N 442.042 2.428 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 410402402 SBPTVEQKKAMART-HNNXBMFYSA-N 432.340 2.311 30 10 IEEE CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 435930408 XGDNMJURALLUQJ-INIZCTEOSA-N 438.303 2.168 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc21 445611796 ZQUJRVRIXIIBHS-UHFFFAOYSA-N 447.539 2.386 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 446636614 GOMCYEZWNHAZGJ-QQFBHYJXSA-N 439.438 2.353 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC2(CCO)CCCCC2)CC1 474264143 FWBASDMFPBBICL-UHFFFAOYSA-N 427.505 2.130 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2)CC1 503399894 WTMYAQFBIPNKFO-QHCPKHFHSA-N 428.533 2.203 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 504869650 NVCNGAPOBKPULW-WMZOPIPTSA-N 447.561 2.109 30 10 IEEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)Nc1ccccc1OC 507397471 BCMWZLIHAFPYSQ-UHFFFAOYSA-N 427.486 2.337 30 10 IEEE C=CCSCCNC(=O)C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 514805140 LQBHCEFLFOOSKI-QGZVFWFLSA-N 441.557 2.403 30 10 IEEE C[C@]1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCCN1Cc1ccccc1 517634085 GUEQDUODLXLZAV-JOCHJYFZSA-N 426.542 2.007 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccccc1 522277084 FTGYCWLUYUICHD-UHFFFAOYSA-N 433.508 2.211 30 10 IEEE Cn1ccc(N2CCC[C@@H](NC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2=O)n1 542035868 WYNQSWZIXMURNZ-OAHLLOKOSA-N 438.879 2.448 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 581322999 MGZZWSRRRLAXMM-HXUWFJFHSA-N 425.533 2.142 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 583112037 JLKJBRRIOUDIOY-MSOLQXFVSA-N 435.525 2.278 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)CC1 583584630 UQTOTMDXKYMITO-FQEVSTJZSA-N 427.593 2.190 30 10 IEEE COc1ccc(Nc2cc(C)nc(NCCNS(=O)(=O)c3ccccc3C#N)n2)cc1 585428363 TTZHOBULBPPBTQ-UHFFFAOYSA-N 438.513 2.799 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cc1C 676727228 QPIZCNXGYWHGOS-KRWDZBQOSA-N 438.549 2.136 30 10 IEEE Cc1csc([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 727949406 RHFCFARBDQOLFF-LPCAMTDXSA-N 449.558 2.080 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2oc(COc3ccc(C=O)cc3)cc2C)CC1 731601257 PVIVPHTZYJRRME-UHFFFAOYSA-N 425.485 2.040 30 10 IEEE CSc1ccc(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1NC(C)=O 741339156 BXTCOXLOVHVOLT-VXPUYCOJSA-N 431.470 2.009 30 10 IEEE COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc(OC)c1OC(F)F 744006043 CPMOYFXPWFUCBR-UHFFFAOYSA-N 426.397 2.437 30 10 IEEE COc1ccc(CNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 746534157 QCHLDIVTOQQHFG-UHFFFAOYSA-N 446.554 2.074 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(C[C@H]3CCCO3)c2=O)s1 752195702 ZYFSKJNNKAMYJJ-ZIAGYGMSSA-N 431.583 2.226 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cn(-c3ccccc3)nn2)C1=O 756076976 CCYPWIIFVPGOIQ-LJQANCHMSA-N 445.508 2.407 30 10 IEEE C#CC[C@@H](NC(=O)c1n[nH]c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1)C(=O)O 757275269 HKWPQZOIGBNJDW-GOSISDBHSA-N 445.435 2.372 30 10 IEEE O=C(O)C#CCNC(=O)C(F)(F)CNC(=O)OCC1c2ccccc2-c2ccccc21 757470565 JDDMKEYDBJMUIC-UHFFFAOYSA-N 428.391 2.365 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2)CC1 757607237 WDGQBBKVKIRGPW-QUCCMNQESA-N 427.549 2.317 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)n1 760988719 QTTZHOBUCZESKG-UHFFFAOYSA-N 438.507 2.085 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 763213320 RKMYTGMJAANGNJ-RBUKOAKNSA-N 436.597 2.106 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CCc1nc(O)c2cnn(C)c2n1 769720010 IICVLMPGWZDVIG-UHFFFAOYSA-N 432.234 2.250 30 10 IEEE Cn1ccc(N2CCC[C@@H](ON=C(N)c3ccc(CNC(=O)OC(C)(C)C)cc3)C2=O)n1 769842741 RBQSFVXNRPICGY-QGZVFWFLSA-N 442.520 2.277 30 10 IEEE C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771677273 UWGCVOIQQSQRGA-BEFAXECRSA-N 427.526 2.356 30 10 IEEE COc1ccc(Cn2nccc2NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)c1OC 779458203 BRFKBXZCYSBYJL-QGZVFWFLSA-N 440.504 2.161 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)n1 788695438 NOTOXZVBNZUDDP-UHFFFAOYSA-N 438.509 2.097 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 794028270 GJMCWQNUEXEMHF-SGRLSNSRSA-N 446.548 2.399 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCCCc2nc(-c3cccs3)no2)c1 795325376 RBDKIBVUMTZDGT-UHFFFAOYSA-N 432.483 2.124 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 808243414 JFOQZLCQPJOHOV-IBGZPJMESA-N 439.438 2.290 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 809886662 LTGJEXAQCSJAKD-BBWFWOEESA-N 446.552 2.020 30 10 IEEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 885441748 DTNBNPWNMSJDSI-ZETCQYMHSA-N 448.314 2.281 30 10 IEEE CC(=O)c1cc(C#N)ccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1128965470 LNFVULYKOMJGDB-UHFFFAOYSA-N 433.511 2.024 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1135983642 YEQXMUMHVRXSOD-MSYCTHLASA-N 428.533 2.156 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1142631166 KUADOOCPYJVXOM-SJORKVTESA-N 448.545 2.102 30 10 IEEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)n1ncc(C#N)c1N 1149424549 GQWSRVBVXCCUEY-GFCCVEGCSA-N 425.308 2.033 30 10 IEEE Cn1cc([C@@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCO2)cn1 1159682554 IFDZDSLXGVPEEH-ALKREAHSSA-N 427.892 2.335 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C[C@H]1O 1175714711 KIOURBZAXRRMJB-HXUWFJFHSA-N 426.517 2.019 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1196525385 GMOIRRXAUBDDQN-OAHLLOKOSA-N 433.472 2.072 30 10 IEEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)Nc1cc(C#N)ccc1F 1219049759 FORNTZVRVYAUQP-QGZVFWFLSA-N 428.464 2.407 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)C2 1227042258 FAZISQJZLJMPAR-MRXNPFEDSA-N 436.896 2.096 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 1228982452 GNNHQUGSOIXFOQ-OXJNMPFZSA-N 428.508 2.049 30 10 IEEE O=C1C=COC2(CCN(C(=O)NCCCNS(=O)(=O)c3ccccc3Cl)CC2)C1 1235862623 WNRVGJRTRWAEGE-UHFFFAOYSA-N 441.937 2.056 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)F 1254534417 BEJZZZHPANRFIJ-CQSZACIVSA-N 445.467 2.012 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286337247 YJJLTYZSZPFFQJ-OAQYLSRUSA-N 425.533 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286425575 PDHVVZUDZMGOIV-IBGZPJMESA-N 446.477 2.456 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](OCC)C(C)C)CC1 1286489895 HHLCCEHVRMRWHK-HXUWFJFHSA-N 441.580 2.096 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286505906 NJNWZOHNVLGFHZ-FQEVSTJZSA-N 436.585 2.420 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286640369 JLPFXJCLBKXERY-SFHVURJKSA-N 440.504 2.107 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1286671607 UZJHZJBVQMCCJD-QGZVFWFLSA-N 429.569 2.216 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1)c1ccccc1 1286678509 YNWZBMQASLICJA-IBGZPJMESA-N 427.574 2.443 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1)C1CC1 1286738522 VYOHPQWQYZWLQA-ZWKOTPCHSA-N 449.552 2.157 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1286748984 HOUYDSPUNHWISK-ZBFHGGJFSA-N 430.534 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1286808756 NLEWFWIMAJOCRD-CDMIOBSGSA-N 429.521 2.128 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCCCC2)CCOC1 1288323244 SHTVAFQNSYNEOJ-XXBNENTESA-N 446.596 2.312 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1291325034 DHFLAGIBASAQJY-WAIKUNEKSA-N 442.539 2.453 30 10 IEEE C=C(C)CN1CCC(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 1293023553 NXXHPFABFVCLQK-FQEVSTJZSA-N 431.533 2.391 30 10 IEEE CCCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1294295035 FIUQGVZTSCXXCK-SFHVURJKSA-N 449.519 2.008 30 10 IEEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1298180118 GXWMVCXUSYNBHY-INIZCTEOSA-N 446.504 2.220 30 10 IEEE O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)N[C@@H]1CCN(O)C1=O 1298425660 KJOCJJQPQUHWDG-CYBMUJFWSA-N 438.303 2.412 30 10 IEEE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1300154991 CTWWRKNQGCLABA-UHFFFAOYSA-N 428.514 2.030 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300372272 ONGFAJXXWXMFBC-NRFANRHFSA-N 442.545 2.104 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 1300411531 ZWUWKVKHAOSAMS-YPMHNXCESA-N 445.335 2.180 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CN(CC(C)C)CCO1 1300464429 DUOZFURTMNGAQZ-WIYYLYMNSA-N 425.533 2.217 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1300630340 BFEGHTBWICRETJ-GOSISDBHSA-N 446.573 2.290 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@H](C)C1 1300635572 QXSIPHOHQNNGPY-GOSISDBHSA-N 444.605 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](OC)C2CC2)CC1 1300716757 QKCQMKXXSLLKOH-OAQYLSRUSA-N 437.544 2.345 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300927484 GTXXWSLKEASAIN-RDJZCZTQSA-N 428.924 2.152 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1300972262 JNHUCIZLXOFOFA-QUCCMNQESA-N 430.597 2.462 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300993589 CPFSEDPVVZGHAC-NRFANRHFSA-N 426.565 2.158 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1301217930 IFRJIKZCSRISDO-UHFFFAOYSA-N 449.559 2.463 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(C)C)CC1 1301492864 PTCNVELKSZCKDA-UHFFFAOYSA-N 442.564 2.043 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)OC)C1 1301555011 QZVCOJXNVSGVNG-DLBZAZTESA-N 438.532 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCC(F)(F)C1 1301586908 PNRVLKPOJDHIKX-UHFFFAOYSA-N 426.489 2.346 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1302310831 NNNPYJFJWWIKNR-QGZVFWFLSA-N 440.504 2.185 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CC3CCCC3)n2CCNS(=O)(=O)c2ccccc2)C1 1302981990 COLJMUZDVFFZNN-OAQYLSRUSA-N 446.552 2.431 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 1303955569 NIYGNBSGXLPIOU-MWDXBVQZSA-N 432.945 2.444 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)CCCN1C(=O)OC(C)(C)C 1304891168 AJLCYJHJXIHMET-SZNDQCEHSA-N 449.939 2.324 30 10 IEEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C2CC2)O1 1305188217 NLCVHBRPIVCKTG-FXENKHCOSA-N 442.564 2.397 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCOC[C@@H]1OC 1316292174 XBOBVIWYDREEPF-ZLGIVVLRSA-N 433.553 2.184 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358893333 SBNGIKUAHPDWFR-RTBURBONSA-N 431.544 2.390 30 10 IEEE C#CCCCCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1358918546 YQDLPIJPIXSDOZ-HSZRJFAPSA-N 442.564 2.352 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C2OCCO2)c1)[C@H]1CCS(=O)(=O)C1 1358955167 GAXSOERORDWSMY-IBGZPJMESA-N 444.557 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCOCC1 1358976734 OQQBGIYDLLKQHY-UHFFFAOYSA-N 430.512 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H](C)C1 1358992103 ZZXFRFFXJUALJD-OALUTQOASA-N 444.539 2.470 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1359007558 NDHRMCOKQSCUFE-WJOKGBTCSA-N 440.573 2.464 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1359098912 HMAMWICPCRHMCZ-OEMYIYORSA-N 438.594 2.167 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359225436 YSUUAFIJDVJRHX-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359287053 JXVWUOPWZFKXHF-BRWVUGGUSA-N 430.553 2.293 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1359304862 LWWUTTJPPSABOZ-QGZVFWFLSA-N 437.903 2.487 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)NC)CC2)cc1 1359307191 DCAJPEFFWZSPQV-IBGZPJMESA-N 440.548 2.247 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CC1 1449058161 GHUTWLLUKSYHCF-UHFFFAOYSA-N 448.951 2.123 30 10 IEEE CCc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)cc1 1455223553 HELNKVKKBKPQJS-UHFFFAOYSA-N 440.569 2.399 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 1457615326 BXBTUJMMYAPHJK-UHFFFAOYSA-N 433.415 2.341 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)[C@H](C)O)c1 1470646190 XDWTUZJEMAGNTN-LIRRHRJNSA-N 438.933 2.193 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3C[C@@H]4CCCCN4C3=O)c(C#N)c2N)cc1 1478777377 XFPGERUBRYIJOA-PXNSSMCTSA-N 435.532 2.020 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1499928638 XDAINMQZIJEESJ-AZUAARDMSA-N 449.559 2.228 30 10 IEEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOC(C)(C)C)c2ccccc2c1=O 1503686815 VPKIHOWLUWANEI-QFIPXVFZSA-N 439.495 2.449 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(F)(F)F 1503956241 QWGPMBXMAPPVFE-DNVCBOLYSA-N 436.438 2.486 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C(C)C 1504404575 XMVCNIGWFKCXRF-JOCHJYFZSA-N 428.512 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1 1507533928 TXNPDBZHURTODX-QGZVFWFLSA-N 432.532 2.362 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1507586071 USMFKOGSLYGSBO-OAQYLSRUSA-N 448.571 2.259 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)N1CCOCC1 1507697523 ACTPUDQBPRPJLK-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808937 VSEGYHWJLMSIQF-RYRKJORJSA-N 425.599 2.291 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1507947941 LXOKYUNMJARTDF-GOSISDBHSA-N 426.496 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508135864 NOMYVRNOGMAPGD-LJQANCHMSA-N 445.589 2.289 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCCCC2=O)CCOC1 1509788160 IIGYVEGPILKKNU-AVRDEDQJSA-N 432.569 2.460 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1516808483 MTWXCHRJSYCPFM-GFCCVEGCSA-N 443.371 2.077 30 10 IEEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CC2)cn1 1517379911 WULISXXKBSSQGD-UHFFFAOYSA-N 442.474 2.159 30 10 IEEE COCCN(C)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1519121995 HGOUIRHDCHDKLV-JOCHJYFZSA-N 434.585 2.027 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)SC 1519324218 WNNWRLMSEHPMKT-SJORKVTESA-N 445.593 2.347 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(-c4cccnc4)n3CCOCC(F)F)CC2)nc1 1521095588 NRXQZSOXQFMYSB-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1=O 1527726624 FUWPQSUJUONQGG-HNNXBMFYSA-N 429.864 2.247 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 1531580240 NJYPNGJVYYHKQB-UHFFFAOYSA-N 438.521 2.417 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 1531856683 VNUREUOZZHIMLO-SSEXGKCCSA-N 444.435 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN(C)c1ccccc1 1539290202 QFIBFCVWDUYUFQ-UHFFFAOYSA-N 432.553 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN(C)CC)c1 1539331464 PDYJRVKREOPVBR-UHFFFAOYSA-N 432.572 2.363 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1539362378 ZAPBQHXIQKYLLU-XMMPIXPASA-N 447.543 2.003 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1539646258 SNDPZUGBKJEDAH-WFXMLNOXSA-N 425.533 2.458 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539750114 HAWVRNFYFYDWAT-HSALFYBXSA-N 430.505 2.233 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1540187892 XOSRGZMIBQJHPK-ROUUACIJSA-N 434.562 2.435 30 10 IEEE CN1C(=O)COc2ccc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)cc21 1540832323 LCFCRUUXPXYFHM-UHFFFAOYSA-N 448.458 2.183 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)C1 1541990954 QSSFOYRGQDDXJB-OAQYLSRUSA-N 428.562 2.309 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 1543139367 HJURJQBIYBSARB-UHFFFAOYSA-N 428.533 2.481 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@](C)(C#N)C2CCCCC2)C1 1543863391 CRUQDSUSOHZTAT-JXFKEZNVSA-N 427.567 2.389 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1547937807 REJYXADORFGBMD-ZJOUEHCJSA-N 441.532 2.486 30 10 IEEE CN(C)C(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552716033 PCAVWTZVEDFEMX-RTWAWAEBSA-N 429.528 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 1556474570 OTUQVHVOGMXGRD-UHFFFAOYSA-N 428.533 2.481 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H](N(C)C)C12CCC2 1557694399 MIECDQDVOQYJPL-UHOSZYNNSA-N 432.590 2.273 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 1561616269 DAWKXOBNLOXBCV-HOCLYGCPSA-N 429.336 2.309 30 10 IEEE CCCc1c(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cnn1-c1cccc(C#N)c1 1562643211 AOEUWACTCSBEIB-UHFFFAOYSA-N 425.537 2.180 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(Cl)cc1F 1565003096 QIWQPNOEIVRKJC-MSOLQXFVSA-N 444.960 2.407 30 10 IEEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 1566250169 LDWJLPVYRBDUIH-AWEZNQCLSA-N 440.443 2.146 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1583966612 QJBPQYKRJUJIMN-LJQANCHMSA-N 446.548 2.295 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC([C@@H](F)C(N)=O)CC1 1586489314 GXNGGIFTOWEMSL-MRXNPFEDSA-N 442.285 2.160 30 10 IEEE CN1C[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)N(C(=O)OC(C)(C)C)CC1=O 1587170550 IQVJOZQFVARDKT-CQSZACIVSA-N 437.294 2.337 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588039912 GAHRNNVBYHKVKS-UYAOXDASSA-N 444.557 2.150 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588064373 HEKCXCGEATZGDE-FQEVSTJZSA-N 444.605 2.211 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1588387142 RPXBMONJLUOOIZ-CVEARBPZSA-N 444.557 2.020 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1588800485 IMCJVEKVWRXAEY-WOJBJXKFSA-N 438.624 2.190 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1589151178 TYUVGYZPJOHJHV-FQELHTAISA-N 449.552 2.407 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(=O)NC)C1 1589483281 OHCRRDWBUJFXFH-LNLFQRSKSA-N 446.596 2.140 30 10 IEEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595603144 YVEQPHALMMGPMB-GOTSBHOMSA-N 449.596 2.262 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595890574 ZBXNANMGVAWUHT-FQEVSTJZSA-N 428.606 2.342 30 10 IEEE C#CCN(C(=O)CCSCC(=O)Nc1ccc(C(=O)OCC)cc1)C1CCN(C)CC1 1611145515 PQZKULXHWHKZJE-UHFFFAOYSA-N 445.585 2.481 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)OC 1614411079 DRGIMNJVQWWJKJ-PKOBYXMFSA-N 426.521 2.246 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1617906504 BIEXATJPDMLBGW-UHFFFAOYSA-N 449.559 2.215 30 10 IEEE CCOC(=O)C1([C@H](C)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCOCC1 1627074793 QSBNQUJFJJNCKC-JKSUJKDBSA-N 425.526 2.438 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1C 1631993269 YFGQLHOLSLAXKP-UHFFFAOYSA-N 427.526 2.276 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)Cc3ccc(O)cc3)C2)C1 1633140314 HPGCLGLSKAMGHN-QKBUSNMPSA-N 429.517 2.199 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1)C(=O)OC(C)(C)C 1636401251 FSGARQYPBXZADW-UHFFFAOYSA-N 449.573 2.099 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nn2cc(Br)cn2)C1 1636963539 UTSXXNTXRKWMMK-UHFFFAOYSA-N 425.084 2.486 30 10 IEEE COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1639651543 LSQMFIGJWOTTHM-GOSISDBHSA-N 432.542 2.411 30 10 IEEE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639783027 UOUYFGMEBOLDKZ-OCAPTIKFSA-N 449.254 2.386 30 10 IEEE C#C[C@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)C1CCOCC1 1641858559 SAHBDOUCBUFMPJ-KRWDZBQOSA-N 426.517 2.435 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 1642528502 YVAJMJXHUGOUBX-UHFFFAOYSA-N 440.525 2.142 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CC(C)(c2nnc(C3CCOCC3)o2)C1 1645902289 OZNRUFUQGJEDOX-UHFFFAOYSA-N 425.489 2.285 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1647117706 VXDLMTPJUKWSKI-HSZRJFAPSA-N 434.540 2.253 30 10 IEEE COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc2c1 1648500836 UEWFRIMTQNSPSE-NIJIEXERSA-N 441.553 2.065 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040392 CYHHZOYMPSRRGF-KRWDZBQOSA-N 449.504 2.209 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1649541195 HPSOVONWAKATTJ-UHFFFAOYSA-N 444.543 2.311 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CCN(C(C)C)C3)nnc12 1654637401 JFYUJCJGKPKICX-INIZCTEOSA-N 440.573 2.263 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)n(C2CCCCC2)c1C 1655409735 MYXFMFWNSONWEM-FPOVZHCZSA-N 427.549 2.400 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)ccc1Br 1662783812 GGESGVNEPNGAQK-LSDHHAIUSA-N 433.349 2.051 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1666053218 ITOWQGJNTRTKAO-LEWJYISDSA-N 433.574 2.052 30 10 IEEE CSc1ccc(CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1C#N 1682374294 DFXULDQVZTXZDC-KRWDZBQOSA-N 439.607 2.034 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC2(CCOCC2)C1 1687576820 RFBCBEXQGMBNPZ-PKOBYXMFSA-N 447.580 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1689852248 CPRSWHUVHUOZLI-KSZLIROESA-N 431.537 2.390 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689993472 FEFNLKPHFRRWRR-VQIMIIECSA-N 446.548 2.464 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1690048198 FSEXJMXIQGPGDE-JPYJTQIMSA-N 445.564 2.210 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccc(O)cc2)n1 1690109349 OQWAMHHEDPQZCO-IBGZPJMESA-N 436.516 2.019 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOC2CCCCC2)CC1 1690135206 RLKCVJXJFUKJTE-UNMCSNQZSA-N 445.608 2.497 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690163609 LDCBIVHSMHKPSE-WIYYLYMNSA-N 441.601 2.477 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690414736 IRIMLLVAWUGDSP-KDURUIRLSA-N 430.597 2.302 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)nc1 1690619852 GNABJSDKRKOJDW-UHFFFAOYSA-N 439.520 2.154 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CC=CCO1 1692537833 DCSCLFJPNJMLBZ-UXHICEINSA-N 436.516 2.211 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)C1 1692845217 CNFPBCOWEORNNM-HXUWFJFHSA-N 428.562 2.361 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@H](C(F)(F)F)O1 1693776076 WCJAPMCOLGAEON-XJKSGUPXSA-N 447.425 2.050 30 10 IEEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1697514308 PXULRXWKQHQIFV-SFHVURJKSA-N 437.504 2.072 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)CC1 1698086965 AZOKPXFAXHEYHE-UHFFFAOYSA-N 435.532 2.433 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1698403423 GZNAZWHIBVNUMR-UFOSLELVSA-N 429.550 2.377 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705517885 BHOUYZUOVRCZNI-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1705598460 KCNSRQGRFWVZTR-QFIPXVFZSA-N 433.556 2.438 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2nc(C)c(C)s2)CC1 1705632593 VRCKCYHAKMRYGR-UHFFFAOYSA-N 443.621 2.268 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1705642878 KGCKXIYXJZMTPT-LJQANCHMSA-N 438.576 2.104 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705658943 GFOUVVLSALGPKQ-OALUTQOASA-N 447.605 2.150 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705749621 BVXNWIVTLMZFRA-QGZVFWFLSA-N 442.951 2.142 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705830982 ZMQPUWBZSPMBAY-YLJYHZDGSA-N 441.532 2.346 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(NC(C)=O)CC2)cc1 1705911606 LXYNMCZPRHWFGH-UHFFFAOYSA-N 433.516 2.453 30 10 IEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CC1 1705970103 BGLVLEIDJXHWEL-QGZVFWFLSA-N 438.532 2.212 30 10 IEEE CC[C@@H](C)c1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1708419646 RIJKBEPXUSSHQY-HZPDHXFCSA-N 435.550 2.335 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC(=O)N(C)C 1708531223 ADGLQBJFCOSAID-SJORKVTESA-N 439.568 2.037 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1712685835 URFZYVAKBAXUEV-SFHVURJKSA-N 448.480 2.263 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC=C 1722275963 FCLRGTPFIOHLAJ-CYBMUJFWSA-N 432.322 2.476 30 10 IEEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1722416000 WTZIAJVSZJIKSW-HXUWFJFHSA-N 430.574 2.499 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1722436342 DIONYSXCOCPLHT-UHFFFAOYSA-N 438.523 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](CC)OC)CC1 1722443183 DPIVSNFZHQEVDF-LJQANCHMSA-N 440.504 2.244 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722455749 PONGDSCVFGZYLQ-ROUUACIJSA-N 442.589 2.074 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)s2)CC1 1722565859 DLFLQUYMHVMPAG-QGZVFWFLSA-N 437.591 2.186 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722584013 WEIMMEOAZFQZJN-UHFFFAOYSA-N 448.564 2.350 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722865930 LSPYKPUQPWCVSA-SQNIBIBYSA-N 445.593 2.084 30 10 IEEE Cn1ccc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)n1 1729583078 YTQLIONSMBXJAT-UHFFFAOYSA-N 433.564 2.436 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1730690599 DHHDXSJDSLXSNK-MRXNPFEDSA-N 436.919 2.435 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740575257 RFUCZLXKPJQNRK-RBSFLKMASA-N 434.484 2.140 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)c(OCC)c2)CC1 1740697975 KXRQMOJVCCPNHU-UHFFFAOYSA-N 446.555 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(SC)CCN(C)CC2)CC1 1740705958 OWKGKNUODLXFQH-UHFFFAOYSA-N 446.665 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCO2)C1 1740983573 LAIGMBUETAVDQE-SJORKVTESA-N 429.546 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740995032 XYRQEQYRMRQHJZ-TZIWHRDSSA-N 443.617 2.337 30 10 IEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1741283492 SAFXIGKTNZUHAK-MRXNPFEDSA-N 434.504 2.237 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCC[C@H](O)C1 1741477609 COPCZQWIQRISDR-OTWHNJEPSA-N 438.580 2.404 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1 1741885179 BSZWKIOFLKTGAG-INIZCTEOSA-N 431.562 2.381 30 10 IEEE CCCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c(C)n1 1745483484 HTGSTJWCJYDGBZ-GOSISDBHSA-N 445.593 2.274 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1746685495 UAJVXZPBZJUGMF-KXBFYZLASA-N 425.480 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1N1CCOCC1 1748642869 QWOZJIILKJRIOL-RTBURBONSA-N 427.549 2.345 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1749033950 SAKGQLLXXIIYFP-SQNIBIBYSA-N 446.621 2.117 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749039672 YQRNKDUVDJDLTL-LJQANCHMSA-N 431.606 2.377 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)OC 1749327158 FNFHCWSIQYRUBT-HOTGVXAUSA-N 425.411 2.246 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C[C@@H]1C 1749877997 CPFSDQRFWRENFV-FQEVSTJZSA-N 435.576 2.236 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)CC1 1751279048 QEAIWZFQDZCHMJ-SFHVURJKSA-N 448.593 2.241 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCO[C@H](C)C2)n1 1751844754 BDLSPRSQZDWIAO-KNQAVFIVSA-N 444.559 2.083 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 1752175605 AFJGGYZOOGXMOP-ZWKOTPCHSA-N 444.605 2.418 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C/CC)c1 1760128278 DGNDZVBSRPBAEU-IPLHWJFFSA-N 441.557 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1nnnn1CC1CC1 1760245917 HFENLWCLUPFUOI-UHFFFAOYSA-N 426.912 2.129 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2ncccc2C)n1 1760251462 AYWLFPXYJYZCJY-HXUWFJFHSA-N 449.559 2.407 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2csc(COC)n2)CC1 1760255837 JBLBQEKNWSPZPN-UHFFFAOYSA-N 443.964 2.400 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760279941 BVYTWENEVBFKAF-IBGZPJMESA-N 431.606 2.377 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCC(N)=O)CC1 1760320468 XOKRIJJFYGVFRO-UZLBHIALSA-N 429.521 2.298 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760365915 LZZOEYMVWBTMMR-NVXWUHKLSA-N 447.923 2.260 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2[C@@H]1CC 1760522620 XQBGWGCFGBVUNX-HOCLYGCPSA-N 449.602 2.058 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760524851 LIFSXKYSGFHAGT-QFBILLFUSA-N 428.968 2.497 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760695155 BMMSSKCDJSAVFV-ANNUQZOISA-N 437.479 2.130 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(Cl)nc1 1761474070 XEHHLPGYMZJZEK-CYBMUJFWSA-N 437.957 2.115 30 10 IEEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCc1ccco1 1762597381 PQIMVLCVVAUOBM-UHFFFAOYSA-N 433.516 2.080 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCSCC1 1763756136 RUSGEOCVRGLHRE-GOSISDBHSA-N 440.621 2.434 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1766579674 QWWBQPBZPWOHST-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1766870442 BXTXCSZIUWQZSP-UHFFFAOYSA-N 433.516 2.291 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1767234906 SPCAKXPHZRTTIL-JVMRMLDLSA-N 430.553 2.256 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)NCC(F)(F)F 1767983722 AVOLFOICNCKDQL-CVEARBPZSA-N 436.438 2.237 30 10 IEEE Cn1ccc(Nc2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1769031711 YSXTXGIGKXQGQS-FMQUCBEESA-N 436.451 2.012 30 10 IEEE CO[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1770651948 RIHISCZYSJTUSG-HMDOMZECSA-N 442.564 2.398 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOCC(F)F)CCN1C1CC1 1770749480 YYRDYDRFOHRXLX-HNNXBMFYSA-N 437.882 2.452 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CC[C@H](CO)O1 1771110316 OGWCXKWPIYZDPG-RBUKOAKNSA-N 436.516 2.400 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)OCCN2CCOCCC2=O)N2Cc3ccccc3C2=O)cc1 1851124729 UZHFVHBGUZARHJ-JOCHJYFZSA-N 447.491 2.438 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1851521910 JZONDLCSUYLAKI-KRWDZBQOSA-N 427.461 2.327 30 10 IEEE C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N(C)CC(=O)N1CCOCC1 1852393907 BTIAQIYKXGSOEO-KRWDZBQOSA-N 431.496 2.109 30 10 IEEE CC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1 1852500079 GWMZUKMHORMPDF-ZWKOTPCHSA-N 440.500 2.415 30 10 IEEE Cc1ccn2c(=O)cc(CO[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc2c1 1852883949 UKKMYPBTZSEUBQ-JOCHJYFZSA-N 434.496 2.171 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1=O 1854459600 GYGKQFULOAHNPK-AWEZNQCLSA-N 443.447 2.395 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CCC(n4nccn4)CC3)C2=O)c1 1854956094 WYFAAMDCSYMWJH-LJQANCHMSA-N 426.908 2.466 30 10 IEEE N#CCC1CCN([C@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1856537874 UJNRKCYWMGVCMK-FQEVSTJZSA-N 431.558 2.384 30 10 IEEE C=CCN(C[C@@H](O)c1cccc(OC)c1)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1857999213 MLMSARGNKFWQGY-HXUWFJFHSA-N 444.509 2.259 30 10 IEEE CCOC(=O)Oc1ccc(C(=O)N[C@@H](CO)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867306610 VMRYESAYLFJTKI-OALUTQOASA-N 425.441 2.002 30 10 IEEE CC(=O)N1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3ccc(C)cc3)n2)CC1 1869944259 JCQOTBPKTZWSQI-UHFFFAOYSA-N 429.484 2.368 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(OCCC)cc2)[nH]1 1871726022 MEYDIIZGQDTYTM-UHFFFAOYSA-N 428.537 2.425 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccnc1 1874335076 GBJDGTKGBCNKCD-UXHMZNKVSA-N 443.577 2.240 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)ccc21 1889950609 DOMKVQFHEHJKIW-SFHVURJKSA-N 426.498 2.094 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@H](COc3cc(C#N)ccn3)C1)CS2 1891162407 OIPISZMAKFPXTI-ROUUACIJSA-N 439.541 2.481 30 10 IEEE N#CC1CN(S(=O)(=O)Nc2ccc(Br)c(I)c2)C1 2046103388 FTFSJLQIXNKAFU-UHFFFAOYSA-N 442.076 2.166 30 10 IEEE CN1CCN(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2060790287 NSGKELFKYYCDMW-HYBUGGRVSA-N 442.560 2.497 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2244373918 RJCYNCBOJMEKLM-BTYIYWSLSA-N 427.542 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H]2C[C@@H]21 2247831826 FHZGYKJWHREVIH-KGLIPLIRSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247837392 RGUPPPBYJSATSY-UHFFFAOYSA-N 441.334 2.131 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2247840713 RFCSRXAPOZDWJY-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247862654 FEZFOAKYYQYXSN-UONOGXRCSA-N 438.355 2.069 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255633139 WYBKKYLPQNTPRC-UHFFFAOYSA-N 429.326 2.014 30 10 IEEE CCC[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255653615 LILBNQQBNFFJCJ-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255806130 DKNIOKCBWFSVJX-YEJXKQKISA-N 449.382 2.429 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255853522 RLIGNJFYLLMSET-HUUCEWRRSA-N 431.342 2.251 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255861310 MFCYAEVGENHDLB-UHFFFAOYSA-N 431.342 2.397 30 10 IEEE CC(C)(C)OC(=O)NCCCCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255881805 CZEDSXJCBKQRLZ-UHFFFAOYSA-N 434.346 2.201 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256621095 QGOGSDNRMYRUTD-RHSMWYFYSA-N 434.342 2.049 30 10 IEEE Cc1cc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)oc1B1OC(C)(C)C(C)(C)O1 2256881850 BUIZAYYDMGKZDS-INIZCTEOSA-N 429.278 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)CC1 2265862075 IPKRZODSKDCYCF-UHFFFAOYSA-N 447.341 2.015 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2267138244 WGBMNWDGYGQSLW-GJZGRUSLSA-N 448.373 2.426 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267185329 UGYMAYPPCWWKPR-CABCVRRESA-N 448.373 2.189 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267527944 OOBHLSNBSHNWDJ-GOSISDBHSA-N 438.381 2.456 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269047560 UXCHKODKCINSKX-HNAYVOBHSA-N 440.305 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H](O)[C@H](N)C#Cc1ccc(Br)cc1 2278808139 ZLRIQWBVXSBCAE-BRWVUGGUSA-N 425.323 2.125 30 10 IEEE C#C[C@@H](C)N1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2300091524 JWRUYLCFNSUGES-TZIWHRDSSA-N 428.577 2.178 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300342084 PIRKQNOMKUXEKK-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H]2COC[C@@H]21 2312774965 LMAULULZLSABER-IXDOHACOSA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](N)C#Cc1ccc(Br)cc1 2313944041 TZPDJKBUNIBBQI-CABCVRRESA-N 431.352 2.066 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(C)(C)NC(=O)OC(C)(C)C 2315533983 MUCLYRZJBHLQNT-CYBMUJFWSA-N 436.362 2.141 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337202780 OIAVQPLTYBVCLJ-UHFFFAOYSA-N 448.373 2.048 30 10 IEEE Cn1nc(I)cc1[C@@H](O)C(=O)C#Cc1ccc(Br)cc1 2360965071 UWBZPXPYSJJEFF-CQSZACIVSA-N 445.054 2.441 30 10 IEEE C=CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 33933420 XOEKQMYQRMRSCF-JLHYYAGUSA-N 430.511 2.277 30 10 IEEE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826110 CIMFHMCGDNLUGL-CJLVFECKSA-N 435.477 2.218 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)c1C 59831581 CGQLLWNLBGBKKF-REZTVBANSA-N 432.539 2.141 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(C[C@@H]2CCCO2)c1=O 440387432 UPCRNVXQXBLGPO-SFHVURJKSA-N 449.532 2.156 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 443550222 IWVXZQKJGHGTPA-UHFFFAOYSA-N 446.507 2.079 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(c3ncnc4sccc34)CC2)cn1 462091276 GIUAGFPUPUKZFW-UHFFFAOYSA-N 431.485 2.498 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)Cn3c(O)nc4ccccc4c3=O)ccc21 470777029 PQKRCWJENGRTGT-UHFFFAOYSA-N 431.452 2.324 30 10 IEEE CCNC(=O)N1CC[C@@H](NC(=O)COc2c(Br)cc(C#N)cc2OCC)C1 472162585 VSZQLUVHCORUFD-CYBMUJFWSA-N 439.310 2.018 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 482148512 SONXUYUBEOZWDA-UHFFFAOYSA-N 429.952 2.262 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 489208325 SUJOQVQBDLXMDA-FUPPJEDESA-N 446.507 2.004 30 10 IEEE N#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)C1CC1 505939751 YEXWABMOBXVGCC-MRXNPFEDSA-N 431.436 2.404 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508944377 DHZBCSXOHWKEJQ-UHFFFAOYSA-N 442.321 2.480 30 10 IEEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c1=O 522110260 CAIXIASUWUXQPG-UHFFFAOYSA-N 430.913 2.134 30 10 IEEE COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3nnnn3-c3ccccc3)CC2)cc1 530780488 VOIOUIGEXBYUJB-FQEVSTJZSA-N 449.540 2.172 30 10 IEEE C[C@H](C#N)CN(C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C)C1CC1 533600422 NXYBPOMXUAWATM-GFCCVEGCSA-N 447.451 2.194 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c(C)s1 545386095 DRAPUWZASFDRMM-UHFFFAOYSA-N 431.605 2.085 30 10 IEEE N#CC1(CS(=O)(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCCC1 546072886 QPZUMOHBNNSCKM-UHFFFAOYSA-N 425.576 2.365 30 10 IEEE C=CCOc1ccc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1-n1cnnn1 586322039 LOTMHJQCSRHAEZ-UHFFFAOYSA-N 425.405 2.195 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2cccc(C)c2)nc1C 586355150 ZVOHLUDDFACISL-GDLZYMKVSA-N 435.527 2.429 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCCO1 588152311 NNXGIZISPRUSNM-ZBFHGGJFSA-N 444.528 2.355 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(c3nc(N)n[nH]3)CC2)n(-c2cccc(F)c2)c1C 590599620 KFOCCPYVZNGTEJ-UHFFFAOYSA-N 436.495 2.623 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(F)cc1 603786294 IMJWWUCSNZHYTB-UHFFFAOYSA-N 425.485 2.359 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 608827080 XIAFFJFMNIVUAV-TZMCWYRMSA-N 447.538 2.177 30 10 IEEE COC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 609413132 LSILPMKTRVBSRQ-UHFFFAOYSA-N 429.498 2.002 30 10 IEEE Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)no1 609514101 ABRYRWSBVPRKGE-UHFFFAOYSA-N 446.467 2.439 30 10 IEEE CCN1C(=O)[C@@H]2CN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CCN2C1=O 610714260 CWKSJEJOYARWLC-IBGZPJMESA-N 446.467 2.311 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 610898305 BVLHVRYKMAFPCA-UHFFFAOYSA-N 447.626 2.333 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCCO2)C1 619850025 IGWOOEQVRBFYDA-UWJYYQICSA-N 426.500 2.073 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669814177 QXFCVFVYZHJXBV-SIKLNZKXSA-N 438.576 2.074 30 10 IEEE O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 727038831 FXDZEJIIZZCEIC-UHFFFAOYSA-N 447.282 2.380 30 10 IEEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)CN3CC(=O)NC3=O)c2C#N)C1 732355053 BAXKXWLYZSXZHC-GFCCVEGCSA-N 446.529 2.194 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CCN1C1CC1 732707381 ZQFUKXIEIJBONH-KRWDZBQOSA-N 443.935 2.103 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccoc2)c1=O 732796530 GQIBHWQUGKGBIE-UHFFFAOYSA-N 439.562 2.422 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3cccc(C)c3C)c2=O)cn1 735069299 SEKUWPWBASVXJA-UHFFFAOYSA-N 449.580 2.150 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCc2cccc(C(=O)NC)c2)C1=O 740615861 AEEHQIKWNOYCRT-IBGZPJMESA-N 449.536 2.228 30 10 IEEE COc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC2CCCC2)c1 747951724 GAKYRCGDRKMTRI-QZQOTICOSA-N 428.489 2.342 30 10 IEEE CSc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC2=O)cc1 750414584 KZGBWPCAGFWKLI-INIZCTEOSA-N 429.523 2.279 30 10 IEEE Cc1noc(C)c1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 753678913 ZQKICEFKXCSFIY-UHFFFAOYSA-N 430.530 2.313 30 10 IEEE N#C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCN1C1CC1 756697760 TVVJPZYUBJKJHP-ROUUACIJSA-N 431.334 2.139 30 10 IEEE CO[C@@H]1C[C@H](C(=O)O)N(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757473956 GAGRRZVOWRHZID-OPAMFIHVSA-N 448.475 2.229 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2)CC1 757607234 WDGQBBKVKIRGPW-AZUAARDMSA-N 427.549 2.317 30 10 IEEE C#CCN(C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 769533324 FPQXWGIVPHEMDN-DLBZAZTESA-N 431.480 2.140 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 774030905 SMAFJBYFYGOSKG-LJQANCHMSA-N 427.482 2.163 30 10 IEEE NC(=NOCC(=O)NCc1cnn(-c2ccccc2)c1)c1cccnc1N1CCCCC1 774821168 KWJZYYWUGUCSAK-UHFFFAOYSA-N 433.516 2.211 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)c1 779857212 LIDYUHATXINNNC-DEOSSOPVSA-N 435.480 2.150 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 787052880 OHFKXOWBSSHTRL-NQIIRXRSSA-N 446.463 2.462 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 787061107 CFLCZWRDTKZEDA-UGSOOPFHSA-N 442.378 2.251 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(NC(C)=O)nc2)C1=O 788409850 DNEWFJRRBCKOLT-INIZCTEOSA-N 429.477 2.447 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCN1C(=O)OC(C)(C)C 790784078 KRVWBJSXWDDLLR-JPYJTQIMSA-N 434.581 2.097 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CCCN1C(=O)OC(C)(C)C 790876426 YNXLHIUHJFOYHN-UZUQRXQVSA-N 445.564 2.373 30 10 IEEE COC(=O)c1ccc(COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 793381983 AOLOUVAAPLJETB-KRWDZBQOSA-N 445.497 2.065 30 10 IEEE COc1ccc(Cl)cc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCF 797818347 XKMPWWNLKTWLFO-OAHLLOKOSA-N 430.933 2.318 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)n1 799242073 XMGIAABJBKWQEV-OAQYLSRUSA-N 439.516 2.115 30 10 IEEE C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccc(C#N)cc1 917094175 VYNKRTZITMOMSW-OXQOHEQNSA-N 443.525 2.465 30 10 IEEE Cc1cc(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc(C)c1C#N 1126286736 UNBXIDXCQHDLAO-UHFFFAOYSA-N 425.510 2.177 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)OC(C)(C)C 1127138663 UNFDZZKLQFQSNS-FYAJOAKPSA-N 440.548 2.325 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 1128961643 CLNFMJWHIORKTH-UHFFFAOYSA-N 441.509 2.431 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1143217846 PCAZVKMROHARQG-CQSZACIVSA-N 433.983 2.095 30 10 IEEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1167214975 PCJROFANMNGLAE-RUZDIDTESA-N 435.524 2.483 30 10 IEEE CC(C)(C(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 1167527838 SPLOYRMTKBTABW-AWEZNQCLSA-N 425.272 2.003 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 1167921107 RAOFQZJOSHLKCG-UHFFFAOYSA-N 433.512 2.186 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 1169226921 WRPCZUHOFOTHRC-UHFFFAOYSA-N 449.458 2.369 30 10 IEEE CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1 1212244611 BYDVSTZAIKWEPY-JKSUJKDBSA-N 444.351 2.118 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 1254330393 CJMYAIOEDWPUCF-OAQYLSRUSA-N 441.576 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286301898 PXJBJRZIMNUMIW-KTVWJZFRSA-N 434.500 2.150 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286355821 AYSYSFYLAHWNOY-MRXNPFEDSA-N 449.602 2.087 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1286452020 QUBOGPDDDOZXCC-KRWDZBQOSA-N 429.496 2.266 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[C@H](O)C2)CC1 1286484341 MIUGXQSOQWWUSY-PMACEKPBSA-N 439.560 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(C)C)CC1 1286490216 IPZOOMWEFMIYDH-UHFFFAOYSA-N 426.521 2.018 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1286522454 KRGWQPWLTREMKE-RLFYNMQTSA-N 426.633 2.021 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)CC1 1286604899 QHEOJYFZXADCAX-UHFFFAOYSA-N 442.383 2.208 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)C1 1286780510 WXNMFCZQZKHKPE-UHFFFAOYSA-N 430.921 2.052 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300272917 CJZJZBRHPXJCJM-VBQJREDUSA-N 428.468 2.003 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCO[C@@H](C)C1 1300527100 BMFHEBIHVFNZCX-OALUTQOASA-N 444.539 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCO[C@H]1CCOC1 1300577863 DFLLKSGXAMOAQL-UGKGYDQZSA-N 436.512 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)CC)CC1 1300717048 WWECMVFQXQOBEW-QHCPKHFHSA-N 431.581 2.332 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1300756030 CGBCPQGKYMMNND-GOSISDBHSA-N 428.537 2.061 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1300990412 KKLFKPDJPIDENB-SJORKVTESA-N 428.624 2.495 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNS(C)(=O)=O)CC1 1301097288 UGTRAKLVWFSAGZ-IAGOWNOFSA-N 425.599 2.292 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1301506177 HHDUIWISLCPTAH-UHFFFAOYSA-N 434.500 2.321 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCCC)C1 1301553047 CVLSKSGBLXMHDS-FQEVSTJZSA-N 435.532 2.438 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1302095900 FZJKDLCCSYSHKY-LSTHTHJFSA-N 446.527 2.173 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1302211413 ILMHIOCDLAJUPB-LEWJYISDSA-N 441.532 2.254 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1302231515 WMRCUBFRDWOOSV-FQEVSTJZSA-N 440.548 2.066 30 10 IEEE CSc1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1C#N 1303626165 VDJTZHZAAIPNEZ-INIZCTEOSA-N 430.917 2.224 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n1 1304493314 CZYJICZIOKVWGG-XMMPIXPASA-N 445.527 2.377 30 10 IEEE C#CCNC(=O)CN1CCCN(c2cc(C)nc(-c3ccc(Br)cc3)n2)CC1 1306957792 COPIHZHMPLTQQO-UHFFFAOYSA-N 442.361 2.476 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1313963291 JMKOGUICRYSGSV-IBGZPJMESA-N 447.547 2.412 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC(=O)N(C)CC 1314215677 HMLLUQVVNIYTSP-UHFFFAOYSA-N 426.521 2.474 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCCNS(C)(=O)=O 1315321768 HFBKVCBUMNCAAG-CYBMUJFWSA-N 440.957 2.285 30 10 IEEE CN1CCN(c2ccnc(-c3noc([C@H]4CC(=O)N(c5ccc(C#N)cc5)C4)n3)c2)CC1 1320333684 PMMXWFOYPCIBRN-KRWDZBQOSA-N 429.484 2.276 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H]2CCOC2)CCN1C1CC1 1335740060 MITRHSQNFSTCRX-YRISNDGFSA-N 436.516 2.004 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1358911407 SZUYKRUHSFRRQQ-HKUYNNGSSA-N 428.581 2.410 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1Cn1cccn1 1358938102 QQASOPXBHDSOTM-UHFFFAOYSA-N 426.484 2.288 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1358981999 GBMGATNDFPHOEJ-KRWDZBQOSA-N 439.564 2.373 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1359010636 VNQWYAFRYGIWGF-HXUWFJFHSA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC[S@@](=O)C(C)(C)C)CC1 1359036825 KGUSWIPWBOKQRG-SSEXGKCCSA-N 427.618 2.480 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1359038205 NHSPNJFWPJIKKC-GGAORHGYSA-N 439.608 2.346 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359053920 DTTWBIIBEUWPJZ-UHFFFAOYSA-N 427.578 2.366 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1359309192 KWIKYLCLMFLAIJ-FUHWJXTLSA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CC)C1 1359336555 UPKVMNCBCWKYQX-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE CC(C)c1nnc(N2CCN(C)c3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359715629 GZBJTYNQQBHFJM-XDOYNYLZSA-N 435.532 2.384 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@H]1C 1359929671 LUJWYIULMKKSNV-AOMKIAJQSA-N 444.536 2.312 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCCC1=O 1360486030 ATBXWAXLJDDEHC-KRWDZBQOSA-N 437.548 2.310 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1 1440705634 MVMHUTDWCQJQBC-HXUWFJFHSA-N 430.526 2.188 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1441885136 OCMABBKSKUABSU-INIZCTEOSA-N 437.500 2.484 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)cc2n1 1456180577 GTZXTFPVEVRUNO-LJQANCHMSA-N 431.452 2.091 30 10 IEEE Cc1noc(Cc2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)cc2)n1 1456570189 PFQFMONTHVTPSO-UHFFFAOYSA-N 425.470 2.331 30 10 IEEE C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1460291641 YVXOXJZRLVKJHP-MOPGFXCFSA-N 433.574 2.078 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1C(=O)OC(C)(C)C 1461960517 HECVNWKGVFSEOD-PBHICJAKSA-N 436.534 2.006 30 10 IEEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1471236993 ATERJFWDKQCWCQ-UHFFFAOYSA-N 444.601 2.024 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1479060370 LSLLFCJFAIBRNL-CQSZACIVSA-N 434.345 2.048 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1492321024 VNOSEHIMDMSWKV-NFFVOIMASA-N 449.515 2.288 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1496476061 KXCLSBHASYILTO-VQTJNVASSA-N 434.500 2.458 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1504829046 DVPFEDRFCOYQBS-VGOFRKELSA-N 427.505 2.149 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCn2ccnc2C1 1507645798 LLYWWIDLHWXHJH-GOSISDBHSA-N 430.512 2.494 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccn(Cc2ccccc2)n1 1507709941 GGFAVQLEYCYZQP-UHFFFAOYSA-N 428.500 2.114 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc2c1OCCCO2 1507711084 NKSPDXPPBUPHKM-LJQANCHMSA-N 426.517 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(CC)C2)CC1 1507733884 CUJMMMKNYJMMGT-FQEVSTJZSA-N 445.571 2.124 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1507853002 AQYOCRAEQKYQOM-UHFFFAOYSA-N 433.900 2.404 30 10 IEEE C=CCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507953090 FKJCZRGDNHMWTO-HSZRJFAPSA-N 433.597 2.445 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507971567 OFTDVUOWXZTBLD-SFHVURJKSA-N 426.565 2.308 30 10 IEEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O)C1CC1 1507987410 BGJRHBZBXSSNIJ-UHFFFAOYSA-N 440.367 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1508080457 BGULGPCRAFLYSP-HXUWFJFHSA-N 436.516 2.172 30 10 IEEE CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1510407593 CBEKFTVPPXFNRV-UHFFFAOYSA-N 436.516 2.134 30 10 IEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)n(C)n1 1511650538 FHVZDQIYESRJBA-UHFFFAOYSA-N 432.532 2.212 30 10 IEEE CN1CCC(OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 1516678250 LOMDNFOUCISUNB-BSYVCWPDSA-N 436.578 2.329 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@@H](C#N)C1 1517004582 JGVUJDGEMUNWKC-KRWDZBQOSA-N 440.460 2.425 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1539013960 OTBCPMQIFOGWES-RDJZCZTQSA-N 431.491 2.334 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539045100 POPCIHPCAUKDOA-MRXNPFEDSA-N 446.577 2.065 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539133338 FCXKCCKMMPLGTK-SIKLNZKXSA-N 426.609 2.413 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539201922 CSNWWHFXXWWNAC-HNNXBMFYSA-N 449.543 2.087 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1539219890 OCSSIVWXWHEZCQ-HXUWFJFHSA-N 446.548 2.227 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(=C)C 1539268408 PEGORUYBRDDIND-LJQANCHMSA-N 443.548 2.252 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COCc1ccccc1 1539370637 YNEUCVFRGMDVHH-UYAOXDASSA-N 430.574 2.493 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539429693 BNCOKXRACQICRC-XARGGIHNSA-N 445.608 2.278 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1540005783 OCSIFZXDUPVUOK-HUUCEWRRSA-N 433.525 2.059 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1)C1CC1 1540094376 LBRBIBKDFNHQNQ-UHFFFAOYSA-N 438.576 2.452 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CCS(=O)(=O)N1CCSCC1 1540133572 LOJQUCTVZQWFSB-UHFFFAOYSA-N 435.619 2.412 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1540861467 RWMPBFNPHBGPDC-KRWDZBQOSA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1540872530 RTAOZSXRYDDGTN-IBGZPJMESA-N 426.540 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C)(COC)CC1 1540903443 CZFSQZWGUGGBJO-UHFFFAOYSA-N 433.578 2.118 30 10 IEEE CN(CCNC(=O)Cc1ccc(Br)cc1C#N)S(=O)(=O)c1cccs1 1545018067 LORZUPVSGCTYQR-UHFFFAOYSA-N 442.360 2.362 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(F)(F)Br 1546532421 KXZPTUWXPMRVSA-NSHDSACASA-N 441.284 2.205 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)c1 1547762276 WKBVQVXRYYCJMJ-OPAMFIHVSA-N 444.511 2.242 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1555700629 SLXRMHOIQFWRGK-QFIPXVFZSA-N 443.573 2.317 30 10 IEEE CS[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1555851738 DSWVTORXBVSHOG-HBUWYVDXSA-N 429.587 2.400 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)C1 1557239274 BEVQGSMIESWVCN-FQEVSTJZSA-N 444.532 2.493 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)CCOC1 1557558300 DWEHYIVTPGFBOO-DEOSSOPVSA-N 435.480 2.440 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)s1 1557718282 JXMPDBCPYGQSGW-UHFFFAOYSA-N 432.571 2.428 30 10 IEEE C=CCn1c(SCC(=O)NS(=O)(=O)c2ccc(C)cc2)nnc1-c1cccnc1 1559347801 MFZAYFFNZMEOLU-UHFFFAOYSA-N 429.527 2.432 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)c1 1562340278 DCHAGZZXWKUTKG-UHFFFAOYSA-N 431.493 2.131 30 10 IEEE C#C[C@H](NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1 1570678217 VREMEGZGMDDIAT-ILWGZMRPSA-N 426.538 2.425 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCc2cc(C#N)ccc21 1583466743 GXEWQWHGROENKD-UHFFFAOYSA-N 425.510 2.481 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1584114817 BZPJERQSGMXTQM-HNNXBMFYSA-N 438.424 2.091 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 1584171459 SFPAMHSTXZTNFB-DOTOQJQBSA-N 445.463 2.185 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584676103 RAXYPJUPPUIWBQ-QGZVFWFLSA-N 443.504 2.136 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1588302312 SPWQWQJFGRBXPY-UHFFFAOYSA-N 433.560 2.143 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1588892081 WTKFLSHMSXUFGB-UHFFFAOYSA-N 433.459 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2COC)CC1 1588914183 ZJXSDLCABLBKOH-UHFFFAOYSA-N 446.555 2.444 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1594009182 GXVSBBZLMSJODO-UHFFFAOYSA-N 431.562 2.188 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC(C)(C)C1 1595517419 YCBCPKUSGQNSBS-UHFFFAOYSA-N 429.546 2.350 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)NCC)CCC2)C1 1595743859 HCFSMCRWOHZKHF-IBGZPJMESA-N 441.580 2.227 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H](C#N)C3(SC)CC3)CC2)cc1 1597813190 QPYMJYQUKGNKTB-SFHVURJKSA-N 437.587 2.342 30 10 IEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1613431255 FALXHUXLPPWERO-RNQOJCNYSA-N 449.559 2.278 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1613987309 INNKYPKFEKUQHU-ZDUSSCGKSA-N 435.454 2.260 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCOCCCO)CCO2)c1 1620350003 YTSZVPLXAZYKCD-LEWJYISDSA-N 441.532 2.368 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2COCc2ccccc2)CC1 1622884444 ZIZQSVRHPVFPJV-UHFFFAOYSA-N 442.541 2.021 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1 1623010505 BGQIBXQAWOPDGJ-APWZRJJASA-N 431.470 2.293 30 10 IEEE Cc1cccc([C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)N2CCOCC2)c1 1628534207 FDDQZBJYJWPCFE-HSZRJFAPSA-N 434.544 2.167 30 10 IEEE COc1cc(C)c([S@](C)=O)cc1OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1630457625 GWCJKPKRDJTLHC-NDEPHWFRSA-N 436.511 2.152 30 10 IEEE COc1c(C)[nH]cc(CN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1=O 1630914969 BSEVZHSYMFLWRR-UHFFFAOYSA-N 445.317 2.421 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2Cl)cc1 1633348187 ZYLJCSINFBMLPH-MRXNPFEDSA-N 427.309 2.368 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccccc1 1635378019 AQKSHFNKHZKJBN-UHFFFAOYSA-N 426.477 2.498 30 10 IEEE Cc1onc(CC(=O)N2CCN([C@@](C)(CO)c3ccc(Br)cc3)CC2)c1C#N 1636780958 NNUSYSBLPOKUHX-FQEVSTJZSA-N 447.333 2.212 30 10 IEEE C#CCOc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1642263524 FRTDBYXALRBYJK-UHFFFAOYSA-N 448.264 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2=O)C1 1646409038 QRVGSFDYDRDDSI-INIZCTEOSA-N 442.516 2.052 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccnn1-c1ccccc1 1652112516 BMGCSOGPRJGIAB-UHFFFAOYSA-N 437.525 2.050 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2c(Br)cc(F)cc2Br)CC1 1664544145 LBGCIYNGKWTGCP-UHFFFAOYSA-N 441.116 2.500 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)cc1C#N 1664625849 AYZDIXYFTAOVJV-UHFFFAOYSA-N 425.482 2.445 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(=O)OC 1670894480 YLNOVQFRQOCERC-ZAMGYDSWSA-N 439.353 2.248 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3ccccc3CN3CC[C@H](O)C3)C2)nc1 1671568521 ZDQQMCCUGHJQNT-YADHBBJMSA-N 434.544 2.306 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)CCO2 1676011589 ODJYZFPVEPNMCA-OJCRERRGSA-N 430.480 2.030 30 10 IEEE COc1ccc([C@@H](Cc2ccccc2)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1682886210 LKFFXXZNXDHBEX-OAQYLSRUSA-N 445.479 2.379 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)s2)C1 1683287872 BSBCZRCRMOWRCP-CQSZACIVSA-N 435.550 2.182 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)C1 1685266912 LFZOKTGSQVUAIU-CVEARBPZSA-N 426.330 2.136 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CCC)CC1 1690124481 MCQCIMRGJCHSFQ-NFBKMPQASA-N 425.533 2.097 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690155529 KQLXCKNUUKUJLL-CHWSQXEVSA-N 439.529 2.033 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1CC 1690206267 LDGIYFOMOXDLTB-NXWNEQKCSA-N 449.621 2.429 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1690345814 DFKMMLKQHMOXGJ-MRXNPFEDSA-N 425.942 2.440 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC)[C@H](C)C1 1690666348 ZWKWVGWZBMBMSF-OAHLLOKOSA-N 432.956 2.440 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690676013 MWTUKZLFCWVSRT-LIMIJEPZSA-N 439.560 2.373 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1690699205 BDIGVQCLRZZEHW-YESZJQIVSA-N 429.487 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1C(C)(C)C 1690731208 CNVLSYHEGPXUFS-MRXNPFEDSA-N 439.626 2.308 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1692979149 FUOHFMMBWYUGDB-RTBURBONSA-N 438.532 2.117 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCCCN2CCOCC2)cs1 1693350124 TXPQBBUIAPZESB-UHFFFAOYSA-N 429.594 2.486 30 10 IEEE CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1694402095 HWADCIJKDJHEHY-HXUWFJFHSA-N 449.563 2.158 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696718714 DHPXGFOQEDASAJ-KIJUOZEOSA-N 428.518 2.006 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1)C(F)(F)F 1697133343 CNUONEOECSGOBB-KRWDZBQOSA-N 436.438 2.453 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@@H]1C 1698085555 MPYXLMDZJDDLNY-INIZCTEOSA-N 434.491 2.255 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCSCCCO)c1 1698485530 GWFNNDVUVGDJEV-VQTJNVASSA-N 443.573 2.317 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC12CCOCC2 1705575918 CKAGEHFUBTUZIQ-LJQANCHMSA-N 438.553 2.238 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCN2CCc3ccccc3C2)n1 1705631368 BUBWLKVPQLRKLO-UHFFFAOYSA-N 433.560 2.128 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705659651 BYCFQKWAUOESGB-GOSISDBHSA-N 445.593 2.290 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705699763 LNUAGAZVSBOXDB-TZIWHRDSSA-N 430.597 2.127 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1705724843 UMMKGABQOUWXMM-GOSISDBHSA-N 426.496 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705896722 WEAAVEUDVAVYIY-GJZGRUSLSA-N 445.545 2.251 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708625121 ZNMTUVLJABNSHB-HNNXBMFYSA-N 448.531 2.123 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CC(=O)NCC(F)(F)F)c1 1712877431 KVLOLWPTVQZDHF-UHFFFAOYSA-N 436.438 2.237 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722321417 BPXWFLRRYYZXQK-KRWDZBQOSA-N 449.552 2.270 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1722360306 GGAKXAVEJOVYRX-KRWDZBQOSA-N 442.570 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(=C)C 1722380580 QMNBCNYZXFHEIL-XMSQKQJNSA-N 442.523 2.246 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1722542820 ICIGBBVKSQEPOU-CQSZACIVSA-N 445.014 2.025 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)CC1 1722580666 FMLHLSDXSGXDHX-RBUKOAKNSA-N 435.594 2.370 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722614582 AQFHBDGZTLNXOT-HXUWFJFHSA-N 429.613 2.190 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1722698406 YLLVSZDQOLMLGS-QHCPKHFHSA-N 435.532 2.121 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@@H](C)CC)C1 1722714460 NITWIUDSHNMHKV-HOTGVXAUSA-N 444.536 2.092 30 10 IEEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)OC 1727152567 GRDVOKXOZCIEKI-UHFFFAOYSA-N 426.521 2.212 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)cc2C)CCOC1 1728814850 AFQCMQXEAZWCOS-NFBKMPQASA-N 440.548 2.082 30 10 IEEE CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C2)n1 1729654340 IMPWCETUUBOKSV-OAHLLOKOSA-N 436.520 2.486 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCCCCCO)cc1 1731185046 OLRURCOKPJGWBQ-LJQANCHMSA-N 438.532 2.092 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1740573650 GBNCTJCJTKHDGE-MOPGFXCFSA-N 437.610 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)CCC)cc1 1740653468 NGKRCTVLIWMABS-HXUWFJFHSA-N 432.528 2.479 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1740667783 QAQBYBHCQVZMIQ-HXUWFJFHSA-N 433.516 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CCOCC1 1740678558 OEEZIZRIGBNAQY-UHFFFAOYSA-N 426.521 2.218 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCC(C)C)CC1 1740693129 USDAVVUNRDWOPD-UHFFFAOYSA-N 425.533 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1740703012 CYLCCDFHXFLCGT-UHFFFAOYSA-N 443.861 2.006 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740716745 YHQPXXZDYIAXRY-VQTJNVASSA-N 438.601 2.306 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740791087 UCOXJPKAWQDUEB-UHFFFAOYSA-N 438.576 2.247 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1)C1CC1 1740907518 WKFCBIZHHMPSOE-NRFANRHFSA-N 438.576 2.186 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740955477 VQZDYEQLVRMOPD-SFHVURJKSA-N 447.543 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1740994129 MVZTVYKMMJRZPD-QKLQHJQFSA-N 426.583 2.013 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)c1 1742364549 SADQTYWXRZOJCY-OAQYLSRUSA-N 441.532 2.480 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(C)CN(C)C1=O 1748956607 VCGIWTAIGWNNPS-FQEVSTJZSA-N 446.349 2.272 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([S@@](C)=O)CCC1 1748956794 IUTRXEKOCIDHOG-SSEXGKCCSA-N 430.530 2.061 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1748989212 IMEPNAOKHWGCHF-CYBMUJFWSA-N 426.468 2.061 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749040271 SEJADTUHUBDTPC-JOCHJYFZSA-N 437.573 2.116 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1749283728 AIAPPOLQBDLBHV-UWJYYQICSA-N 439.988 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1749658735 NBKKPTSZHSONDR-UHFFFAOYSA-N 447.465 2.193 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749664607 UDOCSPYCHKFZQA-MSOLQXFVSA-N 431.924 2.285 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(C)=O)CC1 1749690389 RFBVXQVQQDYNRX-UHFFFAOYSA-N 435.532 2.397 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1750075766 HMMHVEIAQJLABD-GVDBMIGSSA-N 445.568 2.267 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC[C@H]2COCCO2)c1 1750381344 QHQVQPSJZMFIDS-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cccnc1N1CCOCC1 1760220769 CLOQQUBSYWUKII-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760247495 CXUZKQININQGKR-OAHLLOKOSA-N 425.562 2.394 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1760356873 YSPAMKVMVPGERE-IBGZPJMESA-N 444.605 2.248 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1760533965 XOKAKSNGVCYODR-IEBWSBKVSA-N 446.573 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760554199 VMMMWSDLCKICRZ-UHFFFAOYSA-N 449.602 2.217 30 10 IEEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N(C)C)cc(OC)c1OC 1768273106 GCFKYEKKBMNCAP-JOCHJYFZSA-N 442.520 2.189 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1771187919 JXJWQXPBZPUXQY-JLTOFOAXSA-N 434.447 2.222 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1771304838 LPKSINMPELJESQ-WCIQWLHISA-N 446.596 2.241 30 10 IEEE Cc1nn(CC(=O)N2CCCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)c1S(=O)(=O)N(C)C 1848499325 YVZKUTKWYPPMRY-VQTJNVASSA-N 443.573 2.439 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)n1nc(-c2ccc(F)cc2)ccc1=O 1848858113 IOOWWWTXYOPOCM-INIZCTEOSA-N 432.459 2.226 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc43)CC2)n1 1851872257 QKPHINKJWMRPCB-IBGZPJMESA-N 426.480 2.217 30 10 IEEE Cc1nn(C)c(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C#N 1851986092 SGZASBBZJWRCAL-UHFFFAOYSA-N 441.845 2.428 30 10 IEEE C[C@H](C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)c(C#N)cc1C#N)[C@H]1CCOC1 1852908030 UIJJQFPWVOVRGX-IRXDYDNUSA-N 431.500 2.158 30 10 IEEE CC(C)[C@H](Cc1ccccc1Br)C(=O)O[C@@H]1CON(S(=O)(=O)CC#N)C1 1853893275 UGZKXCXBVAMAEQ-GJZGRUSLSA-N 445.335 2.276 30 10 IEEE CN1CC2(CCN([C@H]3CCN(C(=O)c4cc(CC#N)ccc4Cl)C3=O)CC2)CC1=O 1856468776 SOIAIKDGAFLBMM-SFHVURJKSA-N 428.920 2.091 30 10 IEEE Cc1ccc(S(C)(=O)=O)c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 1860835948 LIDUQOUOXQKRCJ-KRWDZBQOSA-N 429.523 2.424 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864018216 GAQNLTXTTUUTDU-GOSISDBHSA-N 433.468 2.238 30 10 IEEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCCC[C@@H]1CCO 1868784955 ZUAWFWHPNORCCK-UHOSZYNNSA-N 432.590 2.293 30 10 IEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870561438 MUISJVHLHASSCT-DNVFCKCGSA-N 439.556 2.478 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626392 SJNMCNPAGYNEKI-UHFFFAOYSA-N 445.506 2.399 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OCC)c(OCC)c3)C2)CC1 1872924754 AFJLUAHVHVDEFN-GOSISDBHSA-N 443.544 2.378 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F 1891852597 GCSSZQFOVCCNEB-IBGZPJMESA-N 446.460 2.465 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)C1 1891929562 RSGVBSJGWRYUJF-UHFFFAOYSA-N 445.435 2.222 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 1902434589 APIKMPZUDOTPEC-YTQUADARSA-N 437.558 2.427 30 10 IEEE C=CCC1(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2022829179 FEKSTKNIBREPDL-HOTGVXAUSA-N 439.553 2.286 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060633358 MUYZNKZKINXWBL-STQMWFEESA-N 432.330 2.353 30 10 IEEE C#CCN1CCC(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2083613722 PTUVAMIZPHYZED-RUZDIDTESA-N 440.588 2.370 30 10 IEEE C=CCC1(C(=O)NCc2c(Br)nnn2CC)CN(C(=O)OC(C)(C)C)C1 2124495885 SEBBPALDHHPCSD-UHFFFAOYSA-N 428.331 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2124516349 RHENYDDQVMAXGJ-JLCFBVMHSA-N 444.341 2.361 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC)c1I 2242916979 QIUXKCLOZVWBMG-JTQLQIEISA-N 432.262 2.363 30 10 IEEE CCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2243386832 ILLCHEXIKQFDNZ-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE CC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2243419313 WIEJUNUKUIFTIN-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2248403852 GXQJKHFCLMIYEE-CQSZACIVSA-N 437.371 2.362 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617262 BQPASSIVGSVSJI-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC1CC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255853675 SXEOWKYEDXUPCX-UHFFFAOYSA-N 431.342 2.443 30 10 IEEE Cc1ccc(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256674259 JEBVKLZAQDRZLZ-OAHLLOKOSA-N 434.342 2.366 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)n1 2267150148 BADNPOUNWIASSC-HNNXBMFYSA-N 446.357 2.108 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2267183385 NKIAYOMBCVKDRI-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOC1 2267270597 MGWUQKHBNYOOJY-QHCPKHFHSA-N 446.353 2.399 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)c2)OC1(C)C 2267280157 MIGRZANEKDPEQW-DEOSSOPVSA-N 439.365 2.071 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 2267525643 HRMPFXBIFCQFEL-ZBFHGGJFSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2C1 2267593307 KFXLEIPVUIUREL-IRXDYDNUSA-N 443.353 2.320 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267593758 WHODZNCLNPLECZ-GOEBONIOSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268609127 KDPLGJPMMKCZPC-CVEARBPZSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2268697705 HRQGOPYNVCZYMZ-HSZRJFAPSA-N 446.353 2.286 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2268705628 FNWBEVFLDOYDQF-UHFFFAOYSA-N 446.353 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2312860704 PCXXNJLKDLYCSG-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE C=CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 2314425994 GFDLYEJASHXZHV-UHFFFAOYSA-N 430.555 2.272 30 10 IEEE COc1ccc(OC)c(C=CC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 2323202919 YFEPARYABPOFBC-UHFFFAOYSA-N 438.480 2.359 30 10 IEEE COc1ccc(Cc2nnc(SCCO)n2N=Cc2ccc(O)c(O)c2)cc1OC 2326789406 AUKPLCBGCJAUNC-UHFFFAOYSA-N 430.486 2.264 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H](C)CN1C(=O)OC(C)(C)C 2337201976 BYSDTJHQQMYFME-CABCVRRESA-N 448.373 2.189 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1 20527267 MCZGXNPAQNVYEX-OFJBCHTGSA-N 425.518 2.416 30 10 IEEE COc1ccc(S(=O)(=O)N/N=C/c2cc(Br)cc(OC)c2O)cc1OC 169905859 MQMDYBAXIWMEGO-GIJQJNRQSA-N 445.291 2.493 30 10 IEEE COc1cc(CNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1C#N 460169496 XOFCAWYICBIPDO-UHFFFAOYSA-N 441.919 2.368 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccco2)n1C[C@H]1CCCO1 461136168 UMRYWGDOQYGLGQ-PKOBYXMFSA-N 448.531 2.212 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)CC(C)C)CC2)c1C#N 472277292 ORHUCLFINCMZNZ-QFIPXVFZSA-N 448.571 2.248 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 474381397 WDYCTAAARTZXRW-UHFFFAOYSA-N 440.456 2.499 30 10 IEEE CS(=O)(=O)N1CCC(CS(=O)(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 477480798 DLWYJEXQEVXINJ-UHFFFAOYSA-N 447.582 2.316 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 481465721 OUBCVZJPYXQREI-GHTZIAJQSA-N 440.569 2.396 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 492948578 XFRKHTIFHGVEML-UHFFFAOYSA-N 437.500 2.267 30 10 IEEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 505730129 UJCSYQUTLNIDON-NPMXOYFQSA-N 442.516 2.470 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 508845364 NGUWUFHKZFPPLK-UHFFFAOYSA-N 428.562 2.483 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(CC)s2)CC1 508849210 PSENLHICKCTZRL-HNNXBMFYSA-N 438.623 2.020 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(C#N)n2)CC1 516873116 DVXHHXYKNVHDKG-UHFFFAOYSA-N 429.488 2.095 30 10 IEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 553552226 YBAPXIXLNRSRJV-KGLIPLIRSA-N 431.901 2.409 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)sc2c1CCC2 586347111 JRYPKSBTSRNGQT-GDLZYMKVSA-N 431.495 2.163 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N(C)C3CCCCC3)cc21 586358383 QXPIBBBATADJME-SSEXGKCCSA-N 432.542 2.321 30 10 IEEE N#Cc1cccc(C(=O)OCCN2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c1 586393465 DTNODGWBJMUBBL-RMKNXTFCSA-N 434.452 2.481 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 603798010 HWRQXVUXNZLUSK-IBGZPJMESA-N 447.560 2.270 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 611089333 XJPXTEOORJIISO-OAQYLSRUSA-N 433.961 2.337 30 10 IEEE CN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 725713667 SYQNMTJEHIQRCF-UHFFFAOYSA-N 441.918 2.140 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732696323 COEOVPGIWXEVNQ-QGZVFWFLSA-N 447.561 2.074 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1C 732795475 JERHOMKJYFUJHQ-UHFFFAOYSA-N 435.553 2.014 30 10 IEEE CC[S@@](=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 743119755 WQAVRISXLBRLGN-LXOAICFUSA-N 428.580 2.170 30 10 IEEE C#CCN(C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 763294488 PALXZKVFXPXJFS-RCCFBDPRSA-N 426.579 2.309 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2ccoc2)c1=O 772278308 RFHIWFBTMSIZDM-UHFFFAOYSA-N 426.469 2.454 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(OCC)c3)c2=O)cn1 772312206 RWAIWHKUIXXLFW-UHFFFAOYSA-N 446.532 2.467 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccc(F)c(Cl)c2)sc(=Cc2cnn3ccccc23)c1=O 773260854 RVHMNKHLPUBGSG-UHFFFAOYSA-N 438.871 2.273 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(C)c2OC(F)F)c1=O 777940839 NCANZXMZEWRLGN-UHFFFAOYSA-N 448.491 2.338 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 779856130 ZRHMMQWYOZYNQW-SBUREZEXSA-N 428.533 2.266 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)N3CCN(c4cnccn4)CC3)cc2)nc1 783634586 UQNAPCXJRXYLHO-UHFFFAOYSA-N 444.451 2.041 30 10 IEEE N#Cc1cnn2c(O)cc(COC(=O)c3c(F)cccc3I)nc12 784146990 HHUYPTMNNSIWHX-UHFFFAOYSA-N 438.156 2.407 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H]2CCCO2)CCN1C1CC1 802679896 QVAAKAYSMZAJIA-MOPGFXCFSA-N 436.516 2.072 30 10 IEEE C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807948961 ATXDCWOHHTVSKR-MFKMUULPSA-N 433.397 2.473 30 10 IEEE O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(CCCCF)C1=O)Nc1cnccn1 812223065 YRRDJQDWJJWDPD-MEZKORTJSA-N 430.509 2.493 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812269836 VHXIUUSPBHBSTE-MSOLQXFVSA-N 432.521 2.198 30 10 IEEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C[C@@H]12 1131124210 JWZUXACMVHUTRU-HBMCJLEFSA-N 426.494 2.021 30 10 IEEE CCOc1ccc([C@]2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2(Cl)Cl)cc1 1134056182 MHRLRRJJTJJRFO-WBAXXEDZSA-N 443.352 2.297 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CNS(=O)(=O)CCOC(C)C 1144728145 LMPFBZXVGATQJI-UHFFFAOYSA-N 432.502 2.337 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 1148435161 IQNHDXQMOQFBHE-VHDGCEQUSA-N 425.917 2.066 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C 1151409196 CBCUERGXMIPEFT-OAHLLOKOSA-N 443.591 2.066 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3ccccc3OC)C2)s1 1151667008 BEXWOARUBSYUMV-GOSISDBHSA-N 436.555 2.364 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1161392739 DXNBPYCWHBYBKC-GOSISDBHSA-N 448.928 2.301 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cs1)C(N)=O 1171843482 NMMLOLVPEGSSRM-KRWDZBQOSA-N 447.561 2.401 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 1171955146 ZESLCIMUDRAAOO-HXUWFJFHSA-N 440.525 2.222 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)cc1 1190547238 GYXVLHCLAGCYSK-UHFFFAOYSA-N 430.454 2.119 30 10 IEEE CCOC(=O)[C@]1(F)CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC12CCC2 1196022042 IGXJLMYPJLACAM-JOCHJYFZSA-N 425.464 2.440 30 10 IEEE CC[C@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCOC1 1197256423 QKMNPLYUWGUNMF-IRXDYDNUSA-N 427.505 2.250 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)CC1 1286314837 SAUNJCSJZKUWRD-UHFFFAOYSA-N 430.597 2.301 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1286389626 NQDAZUYZCDFNCI-GOSISDBHSA-N 444.557 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1286426210 NZMBJVCUAPOPPJ-MOPGFXCFSA-N 444.539 2.206 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCCC2)CC1 1286484863 YPMBEPKJSVROLB-UHFFFAOYSA-N 426.540 2.237 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nnc(C)s2)CC1 1286651460 FKWYOOPYYTWDSL-ZDUSSCGKSA-N 439.611 2.083 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCOCC1)C1CC1 1286733342 YUQMDKUFLRKWAG-UHFFFAOYSA-N 441.532 2.366 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)N2CCOCC2)CCOC1 1286962017 ZBHXNLCBRQKYFL-XMSQKQJNSA-N 434.585 2.025 30 10 IEEE CC(C)Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1287477490 ZJVNJOAYKNLUGS-DQRAZIAOSA-N 441.580 2.068 30 10 IEEE CN(CC(=O)N1CCC(c2ccc(C#N)cc2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1289340381 DKYCNSQZVSBUJF-UHFFFAOYSA-N 442.497 2.493 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cccc(I)c3N)CC2)c1 1290526593 FLTFDKIHQZKTGT-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300298641 FNIJTXPETAJXRX-VQTJNVASSA-N 430.560 2.404 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1300380423 AWMDQRHNSASLEG-PKOBYXMFSA-N 431.562 2.350 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300391993 XGKCXOSFTLEALP-OAQYLSRUSA-N 436.560 2.110 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(C)c1C 1301252244 MGRXVIZEDQWWOT-UHFFFAOYSA-N 427.509 2.277 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301596536 RHISCDXTTRSDJG-DYESRHJHSA-N 435.594 2.208 30 10 IEEE Cn1cc(Br)c(=O)c(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1310534933 CVCJUXHLOLWHGE-HNNXBMFYSA-N 444.289 2.337 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1314635781 HYIURLKCSSYOJG-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE CC(C)Cn1cc([C@H]2N(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC23CCOCC3)cn1 1327090088 OPQIXSPFIRLENY-JBCNATCCSA-N 441.532 2.136 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)CC(C)(C)S(C)(=O)=O 1341818644 XACZEKGLYCUOFA-UHFFFAOYSA-N 440.591 2.184 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@H]2CCOC2)cn1 1358980560 AQHIOBIMUDXBLT-SFHVURJKSA-N 435.557 2.107 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1359023929 BADMJCGGWVMRDN-UXHICEINSA-N 437.544 2.311 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCSC2)n1 1359028650 ZHRHOBUYYVNGNJ-RTBURBONSA-N 444.605 2.408 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NCCC)CC1 1359038703 GWRGOZUCAGYUCM-UHFFFAOYSA-N 438.576 2.145 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)(C)C 1359468182 GUYKQIRDQHDYTE-HNNXBMFYSA-N 446.577 2.107 30 10 IEEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359519359 GJALBZRUQDYHNN-GCJKJVERSA-N 443.573 2.239 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1435553225 QPNQRRFMTYAZMH-IAGOWNOFSA-N 441.536 2.363 30 10 IEEE Cn1cc(CNC(=O)c2cc(I)nn2C)c(-c2ccc(C#N)cc2)n1 1458855428 MSXNIGLLYXZGJY-UHFFFAOYSA-N 446.252 2.227 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)nc1 1460590541 DTHJLQSWFUCTOD-FQEVSTJZSA-N 427.526 2.414 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)oc1Br 1464037530 UAVRXWWQVDZPIR-UHFFFAOYSA-N 438.303 2.369 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1464308457 BJINSZPKVRFXBI-HSZRJFAPSA-N 440.500 2.221 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1=O 1467662368 WRNHCSXSXZKKIL-SFHVURJKSA-N 444.941 2.454 30 10 IEEE C#CC[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1469448471 PARKQHZFFYPZSE-OALUTQOASA-N 449.573 2.474 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1507551131 BABYMVKCVIGNES-UHFFFAOYSA-N 448.571 2.209 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507564728 VWHICBVLYCRRCM-HXUWFJFHSA-N 429.565 2.051 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1507578410 XVLAXLFHVWLEOJ-GOSISDBHSA-N 438.557 2.489 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCN1C1CC1 1507660895 GXZYEGAMTMSQBA-URXFXBBRSA-N 425.577 2.410 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](OC)C(C)(C)C 1507708749 MAGPROWHSLWYHX-LJQANCHMSA-N 438.536 2.068 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1507713837 YUDSEUHLCVAPMZ-JOCHJYFZSA-N 445.951 2.048 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507801202 RULRMZVGNMHYBY-LMMKCTJWSA-N 431.562 2.335 30 10 IEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1507840046 IUAHLGLKFXNSIG-LJQANCHMSA-N 436.516 2.037 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1507847330 FYYANLRNUIFWGT-QGZVFWFLSA-N 443.504 2.099 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CCC 1508087012 AHQCNUVLPCMODQ-QGZVFWFLSA-N 426.569 2.379 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1508095571 XYRXENFWOWPRGN-ZDUSSCGKSA-N 425.942 2.410 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(Nc2cccnn2)CC1 1508132014 TYTFEIFBLNSHBI-INIZCTEOSA-N 433.582 2.263 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508135144 DTRRHTBVALELGO-YOFSQIOKSA-N 441.557 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C2CCOCC2)C1 1508140986 KSOTVQXIJJXWGS-RTBURBONSA-N 438.594 2.026 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)CN1CCCC1 1516540332 VQGJZVSGZZDNNY-UHFFFAOYSA-N 439.564 2.472 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1516877355 DKVZYFRPEBCGES-VPTFNQTCSA-N 431.562 2.359 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1516947889 CJBSXGKCNVSZGZ-DEOSSOPVSA-N 449.559 2.394 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1519331502 VXWKYUDGVPQOBR-WCIQWLHISA-N 448.612 2.487 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 1534662397 HEFFDJXIKAVHEO-UONOGXRCSA-N 434.459 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@]1(C)CN(C)C1=O 1539252531 AHWIUCVNAOEXIS-HXUWFJFHSA-N 426.318 2.259 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(SC)CCN(C)CC1 1539417390 GBBWINWRGXFJCB-UHFFFAOYSA-N 428.606 2.177 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)[C@H](C)CC)CC1 1539477443 MTPQEBCODJLGNY-OSPHWJPCSA-N 438.576 2.411 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc(-n2cncn2)nc1 1539539209 RZALFDOXFYOQCT-HTAPYJJXSA-N 436.520 2.018 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1540080839 QDNPUAVXHVLVSP-UHFFFAOYSA-N 435.619 2.178 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](COCC)C1 1540867029 IHDDYDVYNJBOSW-INIZCTEOSA-N 427.505 2.229 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1540871300 IMCFGJINFDDDKJ-VQTJNVASSA-N 425.533 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SC)c2)C1 1540881838 UKTQUHDETBETIX-QGZVFWFLSA-N 428.562 2.461 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1540885637 MVWYFESTMBBDTF-VQIMIIECSA-N 432.546 2.170 30 10 IEEE CC[C@@H](C)N(C)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1545676374 BWPWHSULDPCWPT-QZTJIDSGSA-N 437.596 2.338 30 10 IEEE COc1ccc(COCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1554951043 GEHRTMCXNMLYHN-JOCHJYFZSA-N 444.511 2.474 30 10 IEEE COc1ccc(COCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1554953953 HPKWYZJCRQXCEL-JOCHJYFZSA-N 442.495 2.068 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1555715232 AAKHZGPQUIWRQY-IBGZPJMESA-N 436.520 2.340 30 10 IEEE CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558805078 DJNRRCBDEJWITR-ZDUSSCGKSA-N 431.290 2.235 30 10 IEEE Cc1cccc(COc2ccc(CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)c1 1564553705 BZAJIZDHWKJHQA-UHFFFAOYSA-N 445.479 2.475 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)s1 1566427583 WHJUMTCETPYZNF-QGZVFWFLSA-N 433.555 2.369 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)Cc2ccc(Br)cc2C#N)CC1 1583532738 ICQPJPUHIUOWPI-UHFFFAOYSA-N 428.352 2.230 30 10 IEEE CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1584060362 SXQSPZAWYVNQTC-INIZCTEOSA-N 436.465 2.476 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1589663150 JASBWJDOFGRRCB-MRXNPFEDSA-N 441.598 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1595522638 HNXJURXAOAJEHH-MRXNPFEDSA-N 428.512 2.127 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1596831642 OSHZWHZCXKJLGS-NVXWUHKLSA-N 444.540 2.148 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)cc1 1596954388 UCZNDBFEYVDMCI-QFIPXVFZSA-N 433.505 2.193 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1606809916 TXIYIDVKALNGBU-IEBWSBKVSA-N 442.516 2.005 30 10 IEEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1613013681 AYDIPVRIAQRPCF-WBVHZDCISA-N 446.602 2.040 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1614348886 DFVMOLQSTHRQSL-IRXDYDNUSA-N 437.548 2.036 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(CCC)s2)CC1 1615208454 AGDHEVRDQRVIIK-UHFFFAOYSA-N 426.380 2.360 30 10 IEEE CN(C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 1617555458 DBMXZYIISAVKMQ-QHCPKHFHSA-N 441.580 2.322 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1620041783 TUHXUZCKAQZXQO-QFIPXVFZSA-N 437.479 2.174 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)s1 1625269022 FQKSKMNOPCXDGL-QGZVFWFLSA-N 439.603 2.195 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ccncc2)CC1 1626002532 LRYYRPQPBBIEIH-HXUWFJFHSA-N 429.565 2.017 30 10 IEEE N#Cc1c(CCCNC(=O)c2ncc(Br)cn2)nn(-c2ccccc2)c1N 1629710548 XHPOPCVDIWOHKP-UHFFFAOYSA-N 426.278 2.241 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)nc1 1633498093 BWOGXBDOTJZZOL-SIKLNZKXSA-N 436.487 2.003 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)s1 1634610234 ZOVKMVZOTVKJIC-GOSISDBHSA-N 447.582 2.375 30 10 IEEE C#CC[C@]1(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CCCN1C(=O)OC(C)(C)C 1647893350 WMTZQNSHXGYBTP-RPWUZVMVSA-N 448.560 2.476 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1F 1649036130 YYZMMGAAJBLEDY-HNNXBMFYSA-N 439.443 2.391 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cccc(C#N)c4)C3)[C@@H]2C1 1650818273 BDAQUKVJOHWSNW-KSZLIROESA-N 426.473 2.213 30 10 IEEE COc1cc(CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc(OC)c1 1653547311 VTEMFVNUWZOJHK-UHFFFAOYSA-N 433.508 2.121 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC4(CC3)CC(=O)C=CO4)cc2F)C[C@H](C)O1 1655740208 OBKWMHBILNBWBR-ROUUACIJSA-N 445.535 2.393 30 10 IEEE Cn1c2c(ccc1=O)[C@@H](NC(=O)NCCCc1nn(-c3ccccc3)c(N)c1C#N)CCC2 1674070953 RBTOITUWOIVSHE-IBGZPJMESA-N 445.527 2.334 30 10 IEEE COc1cc(CNC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)ccc1C#N 1686390639 SQZXGPAOBKTNSP-NVXWUHKLSA-N 431.436 2.218 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689986441 QASBASIMTKKFSP-QGZVFWFLSA-N 431.562 2.107 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1689992340 JPMUOFDVKMNONS-INIZCTEOSA-N 433.578 2.437 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCCOC)C1 1690175089 PTCXXUWZGVKCAB-XLIONFOSSA-N 444.557 2.399 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1690243513 LMQFLELENOMDKC-PKOBYXMFSA-N 430.553 2.495 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(OC)cc2)CC1 1690375549 NPIVHBHRMWNPDL-QGZVFWFLSA-N 432.546 2.424 30 10 IEEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690487754 DSYOPTFJAYCMAT-MRXNPFEDSA-N 426.550 2.429 30 10 IEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690497306 MVYDYKKPGDXWNY-HDICACEKSA-N 447.923 2.016 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@@H](C)O1 1693827606 AIAGORYZASKGGN-DRSNIGMVSA-N 427.505 2.148 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1696897408 FAJFXFFTCLCGEX-IBGZPJMESA-N 440.548 2.362 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1697777636 QQXNHLPPNYEGFU-SFHVURJKSA-N 426.496 2.296 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705493737 NGJBLSAAEFCEJI-ICUGJSFKSA-N 442.564 2.190 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)c1ccccn1 1705621854 QEXYXVIUQINZSO-UHFFFAOYSA-N 433.516 2.384 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCN2CCOCC2)CC1 1705635459 ZETYHKSQLLMFTO-QHCPKHFHSA-N 436.604 2.298 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(C)CCCS2)CC1 1705647253 BJKQWZGVTAOHEN-AVRDEDQJSA-N 431.606 2.424 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OC)CC1 1705811227 ALRYPEXTLBHPIP-QGZVFWFLSA-N 448.593 2.190 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCOCC1 1705837072 OWUPTQXPBQPDRN-FQEVSTJZSA-N 447.605 2.328 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1705905368 SPOXDOPIBCEDTB-QFIPXVFZSA-N 445.571 2.277 30 10 IEEE CC(C)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706293956 BLKODZWBEVQBTB-UFVMTTLYSA-N 428.537 2.181 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1706745112 UBFYZGLTJFJZJV-JCGIZDLHSA-N 446.939 2.140 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1706745163 VIWCVODEDGBJMX-DYESRHJHSA-N 443.573 2.036 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC)cc1 1710537344 CHBUJZNPXARKTP-YCRPNKLZSA-N 430.484 2.395 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722319985 RDFHCLSLLYJUTI-NRFANRHFSA-N 442.608 2.458 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1c(C)nc2ccccc21 1722374266 SGQYNYPVCGFVNV-XMMPIXPASA-N 432.528 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@H]1OC 1722376532 RMMYDPXFRWMBND-WMLDXEAASA-N 432.322 2.160 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1722401914 DNQUZAKPBHXDNM-AWEZNQCLSA-N 432.525 2.211 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)SC)CC1 1722437316 DGNRYTSADBTYFO-UHFFFAOYSA-N 437.573 2.491 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Br)cc1 1722448334 QHVUCHIMPHUSJP-KRWDZBQOSA-N 446.349 2.320 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1722685207 XTQKLODOUMJLKJ-INIZCTEOSA-N 427.505 2.046 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](COC)OC)C1 1722714898 POYSAPWODIHQAG-CVEARBPZSA-N 440.504 2.037 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](F)COC)C1 1722719718 YUWIGEOJSGQTBR-OALUTQOASA-N 445.543 2.218 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1722862199 HJUJDYWZNPKJNJ-QGZVFWFLSA-N 440.552 2.475 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730481675 RDZHBXKPRQJQCQ-MAUKXSAKSA-N 429.456 2.014 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C1CCCC1 1740630417 ITWADKJPPRTQMV-UHFFFAOYSA-N 439.585 2.296 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1nnc2n1CCCCC2 1740633744 RRPZUBBCIOFACS-UHFFFAOYSA-N 444.499 2.487 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)nn(C)c1C 1740676400 BOCHSGTUAMFYKQ-FQEVSTJZSA-N 435.507 2.407 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[S@](=O)CC)CC1 1740689897 DXKOFSQMUXHZBA-BJLXPSRBSA-N 433.553 2.081 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCn2ccnn2)CC1 1740690965 RBXOXJXKKHEXNN-OAQYLSRUSA-N 448.575 2.472 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCC[C@H](C)C2)CC1 1740696896 KBRFNXUWWMAFMO-NRFANRHFSA-N 436.604 2.365 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(N(C)C)CCC2)CC1 1740698942 RDXSCCJLQURCNB-UHFFFAOYSA-N 436.604 2.311 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740715759 FIXGNXFNOMIHQQ-QGZVFWFLSA-N 427.578 2.310 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)CC1 1740841709 XLXQRKXUXHLAOV-HXUWFJFHSA-N 430.597 2.040 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740868028 BWAUWABGYBYNDP-AWEZNQCLSA-N 437.570 2.104 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740880858 PIKUXEATEMPVRR-GOSISDBHSA-N 440.548 2.407 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1740963378 JAQQEFJBYQMNDE-QGZVFWFLSA-N 426.521 2.200 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1C(C)(C)C 1742022818 OKMSTKQGXKWVNQ-SFHVURJKSA-N 439.564 2.474 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H](C(F)(F)F)O1 1743243780 DICZWZAZEVKTQC-DAXOMENPSA-N 434.422 2.251 30 10 IEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)CCOC1 1748504696 ACWNZFWMBANEGL-CVDCTZTESA-N 441.532 2.397 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1748757843 MJKYWWOIFISGOB-RTBURBONSA-N 428.581 2.335 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748780873 OVQBYGSQMHWXPZ-PMACEKPBSA-N 432.507 2.232 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCOCC1 1748847183 PBZMICDDFAGGKS-QHCPKHFHSA-N 433.556 2.125 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)Nc1ccccc1 1748856091 RSJZKZBBMBKXFD-UHFFFAOYSA-N 446.536 2.371 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1748940939 SXZQFOUBXXGEOD-MAEOIBBWSA-N 442.568 2.270 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C1CC1)N(C)C 1748949537 DASFYJHTOOTLAN-SFHVURJKSA-N 449.397 2.472 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCC(=O)N(C)C)CC1 1748983596 UWBNFMGVNRJQKI-UHFFFAOYSA-N 444.967 2.231 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1749115204 NGJNVKODYUUKJH-QUCCMNQESA-N 439.564 2.119 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1749136399 MRXWOLANMWYFNY-WFXMLNOXSA-N 436.516 2.022 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749208776 CSZNQPJRTIADGA-LPHOPBHVSA-N 439.516 2.311 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1749416224 WSSONNANZWVOAX-MRXNPFEDSA-N 445.593 2.180 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1749456489 GNAAFLHWVTYRKF-OAQYLSRUSA-N 433.597 2.313 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@](C)(CC)C1 1749680423 LBPZQZANJJZLGZ-JOCHJYFZSA-N 429.521 2.173 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1749711763 CBULGRPWLABQPD-RHQZKXFESA-N 438.594 2.165 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749713287 RHIPYRPARQXQIC-ZBBYCGENSA-N 428.537 2.174 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@@H]2CCCO2)CCO1 1750388851 TYSXFLSTNXZRII-DLBZAZTESA-N 447.486 2.462 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1)N(C)C 1751122521 HZRWNBDPMAHWHB-KRWDZBQOSA-N 436.564 2.151 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1760158718 REOVFJORHUPLKZ-UHFFFAOYSA-N 431.924 2.395 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760182950 LAXOMFHNLCPADG-HNNXBMFYSA-N 431.543 2.286 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@@H]1OC 1760214096 BQIGGLXOERCNOK-KNQAVFIVSA-N 436.512 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1 1760219408 DEZZYTVAZPZICA-IBGZPJMESA-N 426.542 2.112 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCC2)CC1 1760261974 FODOXYYTNQKVGB-UHFFFAOYSA-N 428.531 2.388 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](c3nc(C)no3)C2)nnc1[C@@]1(OCC)CCOC1 1760286679 RMDOBOFBUIETBX-DYESRHJHSA-N 446.577 2.372 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1OC 1760299284 POPUPRDWASCRKS-WCAVRKLYSA-N 441.532 2.455 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760409771 GVZLJWWKDXTWCN-UHFFFAOYSA-N 439.564 2.116 30 10 IEEE C=CCCCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760421368 MKDYRPNYGKBESC-SFHVURJKSA-N 425.599 2.389 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1761363057 BNAUHRDKRKLDPC-CYBMUJFWSA-N 436.442 2.190 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOC(C)(C)C)CC2)c1C#N 1762399937 HGNJCIKWGREVOQ-UHFFFAOYSA-N 437.552 2.329 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@](C)(O)CCC(C)C 1764919033 BDVGZVWWNXEBFC-VGOFRKELSA-N 426.569 2.404 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@H]1CCOC1 1768659568 FIFLHIASALNPFW-UXHICEINSA-N 438.532 2.180 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)c1ccccc1 1770174480 ZTUOYGJWZROAPO-AOIWGVFYSA-N 447.561 2.214 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)C[C@@H]21 1771327795 LNKUAUZNFIVYSY-IXDOHACOSA-N 448.449 2.356 30 10 IEEE COc1cccc(-n2nnc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)c2C)c1 1850664184 YMOQFPMRXFAXSJ-UHFFFAOYSA-N 436.516 2.199 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851109085 MDDSDEAZAIXKNL-OAQYLSRUSA-N 449.536 2.024 30 10 IEEE N#CC1(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)CCOCC1 1852540354 OXONMQSJFCLEDK-YADHBBJMSA-N 436.556 2.354 30 10 IEEE N#Cc1cc(C(=O)N2C[C@H](CN3CC[C@@H](Oc4ncccc4Cl)C3)CC2=O)ccn1 1857192792 RNONYWQALCXOLG-WMLDXEAASA-N 425.876 2.144 30 10 IEEE Cc1cccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccccc4C#N)C3)CC2)c1 1858421876 GZXBHUANGGNNRS-HXUWFJFHSA-N 438.553 2.226 30 10 IEEE O=C(NCCCCCCO)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931583 AQRUNZXYXPEISI-IBGZPJMESA-N 429.542 2.005 30 10 IEEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CSc1nnnn1C 1870281757 QUTHXVUPUFXJGX-UHFFFAOYSA-N 432.550 2.020 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682279 DOHQNKJVXSVHMX-UHFFFAOYSA-N 445.518 2.050 30 10 IEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N(C)Cc3ccccc3)ncnc21 1873561967 HMHQXKWKUMCEKB-UHFFFAOYSA-N 434.544 2.004 30 10 IEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCOC(C)C)ncnc21 1875228846 HBPRMICIIZIRQV-UHFFFAOYSA-N 428.537 2.182 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1890180468 NAAPVZCVHRWKRZ-GOSISDBHSA-N 438.557 2.230 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C#CCN(C)C)CC3)C2)cc1 1890908572 SNRZJKFOHSFPQD-OAQYLSRUSA-N 431.602 2.199 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2010029971 WFYQQXAKOGBKML-WZONZLPQSA-N 429.517 2.139 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@]1(COC)CCCN(C(=O)OC(C)(C)C)C1 2054375575 WIFCPZGGGIIWDY-MRXNPFEDSA-N 441.388 2.478 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 2054378579 HDKOILQUOGOVGY-UHFFFAOYSA-N 439.372 2.325 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)C1 2060636129 UIGFXISGIJEVHO-UHFFFAOYSA-N 436.358 2.396 30 10 IEEE CN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)[C@H](C#N)C1 2060820624 OMYFHTOCCHCTRM-HXUWFJFHSA-N 441.576 2.212 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OCC12CC2 2064050814 IYVSXOSELDGDBN-VQTJNVASSA-N 440.544 2.391 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068913209 WNJPHNFNBVSXHL-WBVHZDCISA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124536002 YQPFISNOQKUBEM-QCPUYCGNSA-N 444.341 2.408 30 10 IEEE COc1nc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2132368451 LJVFBXUKEPQULS-QUCCMNQESA-N 436.365 2.495 30 10 IEEE Cc1cc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)ccc1C#N 2174779152 GCEHCZHRGXNTSV-LJQANCHMSA-N 429.498 2.183 30 10 IEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224081689 QQEPAZSNRAGBKE-IRXDYDNUSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247817929 RICYCJBSRVNMTH-KGLIPLIRSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247833844 MMYSHYUGMWXKQX-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255697947 FCNCCAUMUZKKJR-RCDICMHDSA-N 429.326 2.120 30 10 IEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255748590 FVHLZIDGGUBZKU-UHFFFAOYSA-N 445.346 2.350 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255816125 ZLJPEFMXHUNGQH-CQSZACIVSA-N 436.362 2.047 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)o2)OC1(C)C 2255847872 SWDSAFGLGNXOGY-GOSISDBHSA-N 426.322 2.210 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256613365 IUIQJDAPAAZSMT-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267104445 XENNZNNUUZGBGM-MSOLQXFVSA-N 446.353 2.398 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267141874 MXUOSJQRJNRKFT-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2267150416 ULBMENIMMNKUOD-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267179140 LZSLXWKGMCCLEY-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)OC1(C)C 2267193618 IHIBDRXQAVWWSL-HOYKHHGWSA-N 436.365 2.303 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502967 VZKMUAMNFOYFLH-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268613510 VDDXHMHEGVRYBR-UHFFFAOYSA-N 443.313 2.136 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268634151 GSYWXNIXONRERI-YOEHRIQHSA-N 446.353 2.149 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268637950 GSYWXNIXONRERI-RHSMWYFYSA-N 446.353 2.149 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2268721523 MHJGOSBUMDXPCS-SFHVURJKSA-N 448.369 2.220 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2269705269 NRQNTKPCUPBYJZ-SFHVURJKSA-N 440.305 2.089 30 10 IEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc(O)c2)cc1 2297745916 FQWWWTGZUZQDJN-FQEVSTJZSA-N 427.453 2.222 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2312856550 ZRDHBQOVYPJRDV-BPUTZDHNSA-N 429.326 2.118 30 10 IEEE C=CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 2314426167 NQVBHQZVFZYMAM-UHFFFAOYSA-N 443.598 2.187 30 10 IEEE COc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1O 2327902088 VAQGUAXPGUDTLY-CQSZACIVSA-N 433.534 2.073 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc(C)c1 2330747956 WPGYYZSSAZIZGC-UHFFFAOYSA-N 429.531 2.292 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCCN(Cc2ccccc2)C1 2337193525 DTPREXHZALUUAH-LJQANCHMSA-N 438.381 2.456 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2337195724 BZMJTKQUIASXOJ-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE N#CCSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N12 2968571 WYPVAZQEQCFKEX-INIZCTEOSA-N 447.476 2.337 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 10747885 SVPCGPXFQOBUBX-UHFFFAOYSA-N 445.497 2.149 30 10 IEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)ccc1O 21326331 VACLOILRUOJNTH-SRZZPIQSSA-N 427.490 2.273 30 10 IEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)ccc1O 21326414 FXXMKSOYFHOHQP-LSHDLFTRSA-N 445.480 2.412 30 10 IEEE N#C/C=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)c1ccc(Cl)cc1 33636408 IWYAKIJPSRKIIK-YBAQAESASA-N 425.853 2.487 30 10 IEEE Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1N=Cc1ccc(O)c(O)c1 254624129 OTQSDBCOMHJBFH-AWEZNQCLSA-N 446.467 2.369 30 10 IEEE Cc1ccccc1Cc1nc(CS(=O)(=O)C[C@H](O)COc2ccc(C#N)cc2)no1 434875630 GSSYIHDILPJXHC-GOSISDBHSA-N 427.482 2.195 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1 440313195 KBFUSAKXAKCLMR-INIZCTEOSA-N 445.541 2.227 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 460777003 YNNSKAXDEIELGZ-LJQANCHMSA-N 449.552 2.495 30 10 IEEE C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)n1cnc(C#N)n1 467251088 NIVXXOHTBYGYJN-KKSFZXQISA-N 446.486 2.162 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CCC(C)(C#N)CC1 468183192 NUWYVDOVFRZMMG-UHFFFAOYSA-N 429.546 2.221 30 10 IEEE N#CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 487215329 AXIRLWKQMPNUTB-XLIONFOSSA-N 440.525 2.238 30 10 IEEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 488975409 TVLRGUOGPJJOCE-UHFFFAOYSA-N 426.491 2.190 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 499695789 GYYURRXKVVOHPI-UZLBHIALSA-N 447.513 2.146 30 10 IEEE CCCCN(C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 507833119 JZTQQQLOJYQVIG-LJQANCHMSA-N 433.574 2.217 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 508932195 SABQDUKDJXMYOS-CQSZACIVSA-N 442.549 2.030 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 508952819 SOWRFKLYKAWPEP-UHFFFAOYSA-N 446.529 2.354 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2C)CC1 517986677 KWTVWBWIOSFFFP-UHFFFAOYSA-N 446.349 2.003 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)N=c4cc[nH]cc4)cc3)cc2C1=O 532325739 WDHUBIHCNZIALE-UHFFFAOYSA-N 440.459 2.468 30 10 IEEE COc1sc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cc1Br 533327414 DPRHFDPLFJURLO-UHFFFAOYSA-N 439.356 2.152 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1C 548774947 ZUGRRPXDHCVFBN-UHFFFAOYSA-N 426.542 2.403 30 10 IEEE Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cccc(Br)c3C#N)C2)n(C)n1 561544990 GSHSTSZLOVESOH-CYBMUJFWSA-N 438.351 2.310 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)cc1 570599614 UPKRAJGMXRXOSP-CQSZACIVSA-N 442.497 2.156 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)OC(=O)c3ccc(-n4cnnn4)c(C)c3)cc21 586268844 MDTIEAVTYXDDIN-HNNXBMFYSA-N 447.451 2.310 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)CC1 590199094 RXUAIWAXAFWMKC-QGZVFWFLSA-N 427.512 2.487 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 603999919 FDCVUSSYLBJPCG-UHFFFAOYSA-N 446.507 2.329 30 10 IEEE CC(C)(C)NS(=O)(=O)CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604338915 NMTJTUZDUZGHDX-UHFFFAOYSA-N 425.561 2.358 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2nccc3ccccc23)c(=O)n1Cc1ccon1 675754290 HEODHKDMOFRXKK-UHFFFAOYSA-N 442.500 2.367 30 10 IEEE CC(=O)N[C@H](CS)C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 706615026 LQAHNCVRHRTICG-OAQYLSRUSA-N 427.570 2.009 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 732156534 PLXFXKSCYZTELM-ZZEZOPTASA-N 434.481 2.252 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOc1ccc(C#N)cc1 742103751 QHXQDLAFHGYUSK-LJQANCHMSA-N 440.525 2.207 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)c1ccc(C#N)cc1 751805390 ZDNGMIGIXNAIEP-HNNXBMFYSA-N 426.809 2.069 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H]1CCO[C@@H]1C(=O)O 757479329 KQYHPOLFVXFWTK-HJPURHCSSA-N 448.475 2.134 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CCCCC1 760409835 VQYLSNKNJHMOFR-GOSISDBHSA-N 447.557 2.224 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 780356590 XUSAULBVNUSIBE-UHFFFAOYSA-N 426.517 2.223 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCCn2ccnn2)C1=O 784128556 ZVRAOTJLBDYJIT-CQSZACIVSA-N 438.460 2.037 30 10 IEEE C#CCN(C(=O)N[C@H]1CSc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 787395789 LTTBEEAHNAYYRR-OCCSQVGLSA-N 429.361 2.428 30 10 IEEE C[C@@H]1CC[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 795184724 WRZXNNHHHGOAKP-SIIHOXLZSA-N 432.546 2.213 30 10 IEEE Cc1ccc(N(C(=O)COC(=O)c2ccnc(C#N)c2)[C@@H]2C=CS(=O)(=O)C2)cc1C 795977591 XHJGFYQGRMQXON-LJQANCHMSA-N 425.466 2.071 30 10 IEEE C#C[C@H](NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(F)cc1 812751952 PHKDZKBLYZPENV-FQEVSTJZSA-N 445.516 2.077 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)cc1 814319354 ZHPWNAVRXXZINI-CILNGMPWSA-N 442.545 2.169 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H](C)CCCCC(=O)O 814745791 HINRFLGKBKXKGN-HNNXBMFYSA-N 425.555 2.087 30 10 IEEE C#CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cn1 816371743 KVIJPWYATUSHCW-UHFFFAOYSA-N 434.521 2.193 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 858040551 FHQOYRBLFJTEHP-LJQANCHMSA-N 440.525 2.179 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1OC 1084306651 ZFWGGXRQRFVGBG-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccn(C)n3)on2)c1 1125126450 WWOZFRQSCJRJEZ-PTGBLXJZSA-N 428.474 2.140 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1127912998 MISVRICMWWAALC-HRAATJIYSA-N 426.477 2.492 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)C2 1132643291 HMHGLUDZQWERIY-QGZVFWFLSA-N 445.928 2.130 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2snc(OC)c2Br)cc1 1148340134 OKWNBZHGJLJZHS-UHFFFAOYSA-N 446.348 2.309 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 1148435159 IQNHDXQMOQFBHE-QEJZJMRPSA-N 425.917 2.066 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)C(=O)OC 1161365760 XOKMEERFARSEFS-CZUORRHYSA-N 439.281 2.122 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)C1(CO)CC=CC1 1164312549 CTPHBDKRDGKNJV-UTKZUKDTSA-N 439.537 2.411 30 10 IEEE Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 1166344565 BYGIVYBFHRFQBN-UHFFFAOYSA-N 439.825 2.444 30 10 IEEE C=CCN(CC=C)C(=O)Cn1cnc2c(I)cc(F)cc2c1=O 1189567882 YTBMFWDTQHXJLG-UHFFFAOYSA-N 427.217 2.341 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)N1c2ccccc2C[C@@H]1C 1228456157 BDMJXWVWMWXBFA-UOVPBQLFSA-N 441.532 2.411 30 10 IEEE COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccc1C#N 1264242852 LQKAUDIZIYRCMT-UHFFFAOYSA-N 435.889 2.493 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cccc4c3OC(F)(F)O4)C2=O)cc1 1280482389 NHPXOUFDUMPRQZ-OAHLLOKOSA-N 442.378 2.401 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1286304747 OUANHFKBDOVINA-FXAWDEMLSA-N 430.574 2.497 30 10 IEEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286356826 BDYZLWORTYCOKT-UHFFFAOYSA-N 433.603 2.374 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1286388024 KJHMMGGTKXGSKW-FQEVSTJZSA-N 439.541 2.036 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1286390960 FWJFRQQLBWWRJQ-HNNXBMFYSA-N 443.545 2.306 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1286399398 GDRDCIMVTUZACA-IAGOWNOFSA-N 430.505 2.065 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cccc1OC(F)F 1286429224 HXBQXBKAXGOBFV-INIZCTEOSA-N 431.418 2.481 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CC1CCS(=O)(=O)CC1 1286463175 JKFWBOQFQKHXQP-UHFFFAOYSA-N 430.574 2.418 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCS1 1286463318 MFODFEOLBMRLQQ-IBGZPJMESA-N 438.561 2.293 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286537488 DFJONEQFJLGQQL-KBPBESRZSA-N 439.358 2.023 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1286708686 GRUDYQSVEPWNSF-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286789998 AXQHANGWFULIEV-CALCHBBNSA-N 432.569 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(C)=O)C1 1286804130 LUXDQFDTLPPSDZ-HNNXBMFYSA-N 437.342 2.343 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287127189 IDNVWYCGHJLCFK-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccncc2Cl)CCOC1 1288321222 GTXJBZLZZJIMNA-OXJNMPFZSA-N 432.912 2.144 30 10 IEEE COc1ccc(CC(=O)Nc2cc(C#N)c(F)cc2C)cc1S(=O)(=O)N1CCOCC1 1288513531 QRPXARDTFBHLLZ-UHFFFAOYSA-N 447.488 2.217 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1300481875 CDHJJRQWPIUVDZ-IAGOWNOFSA-N 446.621 2.325 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300495902 KQWJVRAJPPVSPC-UXHICEINSA-N 428.558 2.074 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300495968 LYDGNSBGIKTDJR-ICSRJNTNSA-N 444.557 2.203 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300498363 JNEMHOJHXSIXDL-CRAIPNDOSA-N 436.578 2.386 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccsc1Br 1300505486 BIJYUSRFMUGBHD-UHFFFAOYSA-N 432.347 2.459 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H]1COCCO1 1300574804 KXLUZFXFJZNSLG-QFIPXVFZSA-N 430.512 2.399 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1300638233 PJCIJSLTCFPKRK-UHFFFAOYSA-N 435.576 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1300716751 QFBYDSPOVCGQJE-OALUTQOASA-N 444.580 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301545884 MVVKRKVNNGDLAV-ZBFHGGJFSA-N 437.953 2.210 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)OC(C)(C)C 1302031080 UZESDJHCHXBWFH-YWZLYKJASA-N 440.520 2.359 30 10 IEEE N#Cc1ccc(C2(NC(=O)c3c(Br)nc4n3CCOC4)CCOCC2)cc1 1302373541 FRDHBUUHNIOXKV-UHFFFAOYSA-N 431.290 2.483 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCC[C@H]1C 1302953746 BIIFSCUIGPDMLR-IEGUWTFLSA-N 438.580 2.404 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1303186114 XMTYKMNTZFYJPF-LJQANCHMSA-N 449.559 2.036 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc1C 1304423905 ATRMMMKUEJYQOP-IBGZPJMESA-N 438.532 2.248 30 10 IEEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)CSc2nc(C)c(C)c(C)c2C#N)n1 1305219248 NAYNIJMEQLIALG-ZWKOTPCHSA-N 426.546 2.455 30 10 IEEE COc1cc(CCCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc(OC)c1O 1312471333 RTBDOIHDIVJKIG-HOTGVXAUSA-N 448.520 2.400 30 10 IEEE CCOCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314454340 GJZIKOCHPWWKSM-IEBWSBKVSA-N 440.552 2.323 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC(F)F)cc1 1316533225 IKPMWGOZFBYBLA-HNNXBMFYSA-N 434.447 2.060 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358958311 LEOIXGXAOCVOQT-QGZVFWFLSA-N 429.502 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCc1ccn(C)n1 1358986868 JWCDCKRSDQCHRJ-UHFFFAOYSA-N 440.349 2.485 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCOCC1 1359021381 NAHCTGOTVRBTTF-UHFFFAOYSA-N 432.956 2.190 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(O)CCC2)CC1 1359028229 LNZMCUNTYNFCLY-UHFFFAOYSA-N 436.560 2.208 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C(C)(C)C)CC1 1359038622 CPEUXFBUSCXYAB-UHFFFAOYSA-N 438.576 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCCOC 1359063608 YWZAJRODNDLMSF-HSZRJFAPSA-N 425.533 2.482 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1359120970 OLBVDHHWPCKGFD-SFHVURJKSA-N 447.561 2.114 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)c1ccccc1 1359194786 BPDJMBVMHJKAAV-OALUTQOASA-N 448.614 2.109 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1 1359233628 LVRCPSUSMVZQKI-UHFFFAOYSA-N 442.545 2.270 30 10 IEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(=O)NC3CC3)CC2)cc1 1359306279 AUIBVMHBPLZFEH-UHFFFAOYSA-N 438.576 2.415 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359330052 FGSQISGSRVJIHW-QZTJIDSGSA-N 447.605 2.473 30 10 IEEE CC(C)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1360190936 HZRKFEZOKHYHJQ-AYAKEVCGSA-N 449.515 2.024 30 10 IEEE C#CC[C@@]1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCN1C(=O)OC(C)(C)C 1436605378 JDASHBMBCJWCDR-QFIPXVFZSA-N 443.504 2.431 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCCO)cc1 1446029357 DDGYCJIJRNBLJW-MRXNPFEDSA-N 425.913 2.312 30 10 IEEE C#CCOCCNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1446785442 NPBWCPNTDRYNRF-UHFFFAOYSA-N 427.452 2.167 30 10 IEEE CCO[C@@H]1C[C@@](O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1(C)C 1448860927 JYIFNKIDURKJHU-ZOVTWURMSA-N 435.565 2.456 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)cc1 1453241181 NJWRBDIKXLPFQD-UHFFFAOYSA-N 435.571 2.126 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)c1 1453584043 AMVHOXJZZBFLRD-UHFFFAOYSA-N 437.543 2.189 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CC(=O)OC)c3ccccc32)s1 1455092756 JEVZQSJGHZESLY-AWEZNQCLSA-N 434.539 2.448 30 10 IEEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC(Nc2ccccc2C#N)CC1 1460540923 GXWPICPTIVKWFO-UHFFFAOYSA-N 427.530 2.029 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1461099488 QHEZPCNVVTWTSK-INIZCTEOSA-N 430.482 2.077 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1467344826 QPRMUMBYZZMYCM-ROKPMTFOSA-N 432.609 2.454 30 10 IEEE C[C@H](CC(=O)Nc1ncc(C2CCOCC2)s1)/N=C1/NS(=O)(=O)c2ccccc21 1468162862 DSMPTZFZCRSJOK-GFCCVEGCSA-N 434.543 2.493 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CC(N)=O)CCCCC1 1470476101 ZDHKHQGWLBUFBI-QGZVFWFLSA-N 448.589 2.082 30 10 IEEE COc1cc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc(OC)c1OC 1472618387 RRWJOHKITDDFKF-UHFFFAOYSA-N 428.441 2.159 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 1478396917 NJGWPMFEJCRTBH-CRAIPNDOSA-N 433.350 2.260 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1492359243 HQJQMWXTVQIHSG-UWJYYQICSA-N 447.536 2.432 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1501194318 IKJXSCLCBXBDRM-UHFFFAOYSA-N 431.500 2.315 30 10 IEEE CN(C)C(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503366426 ANPJBBRNXHJOHJ-UHFFFAOYSA-N 425.512 2.361 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1504600654 ZLQVZKNOVGJXKQ-IBGZPJMESA-N 428.512 2.102 30 10 IEEE COCC[C@](C)(O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1504756724 BRWQYOLHUBEJPD-QHCPKHFHSA-N 442.539 2.355 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(F)(F)Br)cc1 1505317743 WJTNIPCVYSGCKX-UHFFFAOYSA-N 446.277 2.039 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(CC)CC 1507521496 NRIPMSMZLOXMEQ-KRWDZBQOSA-N 445.589 2.455 30 10 IEEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507579836 JNEYBJIMUFCVLQ-GOSISDBHSA-N 438.532 2.370 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(C(F)(F)F)c1 1507609541 AFUFZMYLLBKRGS-UHFFFAOYSA-N 439.405 2.452 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507635335 RZYKYYTVLAKABI-JUXOCIIHSA-N 436.622 2.435 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1507689899 NRCGGQPXTNYECT-QGZVFWFLSA-N 444.605 2.360 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507755804 ICFDALUZXMLGNL-RBUKOAKNSA-N 439.585 2.491 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1507815015 FQYBZRNQLVEKAF-LJAQVGFWSA-N 438.623 2.409 30 10 IEEE CC(C)NC(=O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1509753441 AWEODLJHWUTPEB-UHFFFAOYSA-N 427.528 2.438 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1515792253 FFEXFEWDKFJITP-KRWDZBQOSA-N 447.547 2.170 30 10 IEEE CN(Cc1ccoc1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1517166632 GOMTXONFVQOVBZ-QZQOTICOSA-N 433.472 2.020 30 10 IEEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(O)CCN(C)C1 1518522673 CRQPCDBCKWKGHE-KKSFZXQISA-N 430.578 2.241 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@H](CO)O1 1519130488 HVJDAADTFGHDER-VQTJNVASSA-N 436.516 2.338 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)c1 1527172453 HMVZORJCUAWBGV-FQEVSTJZSA-N 442.313 2.387 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)cc1 1533500294 HQCZYKAQKLZXLU-LJQANCHMSA-N 435.509 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H]1C 1538983274 PQKWNDIROYZLIR-QZTJIDSGSA-N 444.605 2.138 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539142589 UTEWKCPIRVPIGH-IRXDYDNUSA-N 430.553 2.430 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539212837 YCQNDBPFCIGFDG-QWFCFKBJSA-N 428.558 2.387 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539222563 WPUPADZUQCJBGB-DENIHFKCSA-N 428.558 2.080 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCNS(C)(=O)=O 1539245293 DIHRJLFVWQMFSB-MRXNPFEDSA-N 445.614 2.144 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539569745 SUOPZFVVWOBIQW-QFBILLFUSA-N 429.487 2.460 30 10 IEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539998512 JTEVATAKCYRIBJ-SFHVURJKSA-N 425.537 2.306 30 10 IEEE CC(C)OCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1541752345 XAISTWSZMHMZFF-MRXNPFEDSA-N 432.550 2.204 30 10 IEEE CCCCCCCC[C@H](C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1544728271 LGKDIXQXEONMRM-ROUUACIJSA-N 436.640 2.034 30 10 IEEE CCCC(O)(CCC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1546921001 FXRZOFHONKUJLG-QFBILLFUSA-N 440.614 2.350 30 10 IEEE CCNC(=O)c1ccc(Cn2c(CC)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1 1547759036 GOHPKZHJIXRGIV-UHFFFAOYSA-N 444.543 2.232 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1547772419 GYPTYMNJQIALBO-HSZRJFAPSA-N 449.515 2.169 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(C)cn2)cc1OC 1547956972 GGUJNRDLLUFCBL-SFHVURJKSA-N 437.504 2.286 30 10 IEEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 1558799959 WFWWXMRZMUUIIV-XXBNENTESA-N 434.540 2.217 30 10 IEEE C=CC1(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CN(C(=O)OC(C)(C)C)C1 1558842186 DIKSJGUBUDNQLW-INIZCTEOSA-N 439.553 2.240 30 10 IEEE Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)CC2 1584693636 IFWUAJRJLJPSEM-YLJYHZDGSA-N 436.516 2.424 30 10 IEEE C#CC[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)C1 1585656138 KLKKVSRSQYVAHL-HNNXBMFYSA-N 439.559 2.493 30 10 IEEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1587509186 ZLNFVQSSQQUCLC-NRFANRHFSA-N 445.516 2.235 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)OC(C)(C)C 1587668212 VGCRYIINADGIFU-CQSZACIVSA-N 432.550 2.252 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1587848176 YVWVWFSDVFJSFZ-UHFFFAOYSA-N 430.516 2.284 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1588139079 LDYKQBOWGLCYNL-JPYJTQIMSA-N 445.564 2.066 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1588837034 PPSORQVIMSKXAA-UHFFFAOYSA-N 443.617 2.237 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC(=O)N2CCCCCC2)CC1 1588885251 TZBJBHHRXSJOKG-UHFFFAOYSA-N 428.581 2.160 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(c2ccncc2)CC1 1596781795 FDJOSJUUTHVKIE-SFHVURJKSA-N 436.564 2.422 30 10 IEEE CNS(=O)(=O)NC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 1618605378 DTXHWNJLDKVQJR-UHFFFAOYSA-N 428.514 2.203 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C1 1618852551 BFPKYQOBZOQJRO-FQEVSTJZSA-N 446.511 2.262 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cs1)C(N)=O 1624572403 BVXSUVQGWMQPMF-ZWKOTPCHSA-N 443.598 2.451 30 10 IEEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1627573419 UFHWKJBAIBHWNN-YJBOKZPZSA-N 427.509 2.204 30 10 IEEE CN(C)C(=O)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1640834112 NPSSRIPTRRYGRI-IBGZPJMESA-N 441.532 2.218 30 10 IEEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1641584655 SMSATZHZRSLJAW-UHFFFAOYSA-N 428.439 2.440 30 10 IEEE CCN(CC)[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(C(F)(F)F)c1 1648028996 UYFIMPPHNUBOIP-QGZVFWFLSA-N 449.433 2.306 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1648738292 PJOYZJNKBQJRIF-UHFFFAOYSA-N 435.546 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3C(=O)N[C@](C)(c4ccc(C#N)cc4)C3=O)O2)C1 1655973543 OMFHPXOAOMLGRQ-HTAPYJJXSA-N 440.500 2.494 30 10 IEEE COc1cc(F)ccc1S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1660623982 HSMUXPDMQVMMBF-UHFFFAOYSA-N 432.433 2.465 30 10 IEEE COc1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1NS(C)(=O)=O 1668893569 IAOOYNHCZLYSDW-UHFFFAOYSA-N 435.531 2.354 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1nc(C(F)(F)F)no1 1685807601 DDOMAFGNLUYLHU-SECBINFHSA-N 425.371 2.418 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1689848462 VWRQXDVGFIDNLW-PBNKOMEISA-N 440.573 2.197 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2occc2C)c1 1689870102 BNTLULYLOAVDPG-SFHVURJKSA-N 432.484 2.235 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1689885524 LIBNZDKNKOUXMI-UHFFFAOYSA-N 435.580 2.279 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689980220 OGNLUHBXBSHWEE-IBGZPJMESA-N 430.574 2.419 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1689992376 KELAVDKUEGIYMQ-IBGZPJMESA-N 428.489 2.276 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)CC[C@@H]1C 1690669279 ZZLPLXXGPBTAAU-CVEARBPZSA-N 445.593 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1ccc(OC)cc1OC 1690731582 MQYCSKPJWDRXCE-UHFFFAOYSA-N 432.506 2.040 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1690993175 GPIBFTWHFVIVHJ-CHWSQXEVSA-N 426.493 2.005 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1693783323 HEEZUEVFOHOMMB-BUWYAKEBSA-N 431.500 2.435 30 10 IEEE CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1695439888 CPKZWMSDKKRPOC-UHFFFAOYSA-N 448.531 2.124 30 10 IEEE COc1ccc(OCCCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697491171 BDYOVMWLUNVYQY-NRFANRHFSA-N 434.500 2.470 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccco1)N1CCCC1 1698171574 RESCZPLUUZOFBV-CEXWTWQISA-N 444.536 2.161 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCC[C@@H](O)C2)c1 1705505267 KMXUWWIZLRVBMB-AZUAARDMSA-N 445.527 2.342 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@](C)(O)CCOC)CC1 1705635344 WLXVNSSBAMYRIW-QPPBQGQZSA-N 425.577 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](OC)c2ccc(F)cc2)CC1 1705652918 SCKZSSSZBDCECT-FQEVSTJZSA-N 443.523 2.307 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1705704849 ZVAPHBHXNIRTNE-VQIMIIECSA-N 434.562 2.416 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 1705705165 DRVOVOFPAGMOQC-KNQAVFIVSA-N 430.597 2.160 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705815257 PPVFAAFACYUCFK-UHFFFAOYSA-N 440.548 2.093 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705827980 XIYXXOVZKJWKPP-HSZRJFAPSA-N 441.532 2.414 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1705879938 PPKRLLIJKWTADJ-OALUTQOASA-N 447.605 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705900555 HYBSXRBVZHQRLF-HNNXBMFYSA-N 437.504 2.006 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3cccn3)c2)C1 1705914121 HFEAHWLKONPRGL-NRFANRHFSA-N 449.559 2.491 30 10 IEEE CCOC1CC(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1710582261 XXQGIYVLNGHDTQ-UEWYOLLUSA-N 433.553 2.253 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C)C1(F)F 1712845791 FVODDDDLCNGBGY-OKILXGFUSA-N 438.504 2.093 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1722294821 HZUYCNUXRCWRQH-RDJZCZTQSA-N 425.514 2.341 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1722322999 ALRPPUIUKFYWPO-FUHWJXTLSA-N 431.562 2.304 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(OC)cc2)CCC1 1722351133 HFYDOLDIBKWDCA-KRWDZBQOSA-N 428.558 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1ccco1 1722392864 UZMQVKIDRJRUJD-UHFFFAOYSA-N 431.452 2.160 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C(C)(C)C 1722397778 UGCMPKDOUOKECF-FQEVSTJZSA-N 435.528 2.416 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2C)CC1 1722445644 AABNVFDCZHXJEQ-UHFFFAOYSA-N 431.544 2.196 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1722475666 WSNOKDYORCPBBS-HTAPYJJXSA-N 441.557 2.201 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1722517857 OKRKNRIHZPMUQQ-GOSISDBHSA-N 441.561 2.212 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)COCCO2)C1 1722723206 WRHYVVKUFHWDGE-REWPJTCUSA-N 444.532 2.453 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722736905 MHPBPEYTKLJPNJ-UHFFFAOYSA-N 449.625 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC=CCO1 1722981806 YAGCORFOTFSZSA-SQNIBIBYSA-N 444.536 2.424 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1723790712 OXUAYBYGVYVFMY-BRSBDYLESA-N 436.582 2.072 30 10 IEEE Cc1ccc(OCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1724447537 CADWTFKXNDGGEJ-REWPJTCUSA-N 441.532 2.435 30 10 IEEE Cc1nc(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CC[C@](F)(C#N)C3)cc2)n[nH]1 1725201456 JPWMDLQPAPWQKV-NRFANRHFSA-N 437.483 2.000 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](COC)C2)CC1 1728601637 HJKYOBFNLZSUKL-TZIWHRDSSA-N 437.592 2.315 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1729765998 PWJQNRHIPDAUKM-GOSISDBHSA-N 436.516 2.121 30 10 IEEE COC[C@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1730493927 PYZPZFFXCRXXIK-HXUWFJFHSA-N 435.507 2.447 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCCC2)C1 1730997999 GAGRIIUDRNMERF-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740583498 ZLGKOWGGGNXVAC-IBGZPJMESA-N 432.546 2.389 30 10 IEEE C#CCCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740596351 BVSTYIQPEZKSCS-JOCHJYFZSA-N 427.553 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1cccs1 1740646014 OFCJWZXWEQZKKY-IRXDYDNUSA-N 433.603 2.292 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1740675163 HWVKGGPNWTVLFA-QZTJIDSGSA-N 439.626 2.328 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740995053 YMXPLPWYOSAWMS-BZSNNMDCSA-N 435.594 2.016 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)n[nH]1 1742600563 FERKQFZQZMBSHS-UHFFFAOYSA-N 449.563 2.033 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ncnn1-c1ccccc1 1744009126 GXUAWVXTGPGBMD-INIZCTEOSA-N 435.536 2.421 30 10 IEEE CCCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1745549614 LNZZFGHKRXYWCO-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1749129900 HZPAYMBCOUBVNQ-OEMYIYORSA-N 438.594 2.167 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749575050 KMCXQZPXXOEOBO-CVEARBPZSA-N 439.582 2.272 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749691135 ZFBHUCKUZANTPB-QGZVFWFLSA-N 433.516 2.405 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nccs2)C1 1749713230 QJZNCWWQRZAJIE-HRCADAONSA-N 437.591 2.222 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)c2cc[nH]n2)C1 1749715193 QOZGLXANBKHZJV-LJQANCHMSA-N 435.532 2.112 30 10 IEEE CC(C)N(C)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750882308 BZXPMDGZVBJSCB-UHFFFAOYSA-N 431.548 2.274 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(F)F)c1 1760128539 LDAXBTMPRSPQIM-MRXNPFEDSA-N 430.459 2.331 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1760133615 JZKXQVVKITWKAI-UHFFFAOYSA-N 435.536 2.075 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC2CCCCC2)CC1 1760270450 XTIWVMWEVSWUPS-HXUWFJFHSA-N 443.592 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1 1760521371 QSLZKDOVVQUVCK-UHFFFAOYSA-N 447.499 2.207 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1760547124 DVVXVBWDDXSIQT-LLBVYWAGSA-N 444.532 2.187 30 10 IEEE CC(C)(Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1760810779 XWXFSPMIVMKWCM-NSHDSACASA-N 426.399 2.323 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cn3ccc4ccccc43)n2CCS(C)(=O)=O)C1 1761545390 CNETVHKZTCCLJJ-NRFANRHFSA-N 426.546 2.456 30 10 IEEE CCc1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763048514 RWYRAOBVHVJMIE-UAFUQJIBSA-N 438.536 2.022 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1766369623 OWQQLIVHWRTINR-OAHLLOKOSA-N 447.337 2.223 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1770202359 PQCFTKCSPGJHBW-HOIFWPIMSA-N 448.543 2.093 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1Cn1cccc1C#N 1852485773 KHYUYQXZCFTGDA-UHFFFAOYSA-N 432.484 2.433 30 10 IEEE Cc1nn2c(c1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1)OC[C@H](C)C2 1852507236 ZDPQUPFKHRVRPY-OXQOHEQNSA-N 440.500 2.028 30 10 IEEE COc1cn(-c2ccccc2)nc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852556195 LOLAIZKBFVISHL-UHFFFAOYSA-N 432.484 2.127 30 10 IEEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1=O 1854475551 HGBKISJMIGIFKW-UHFFFAOYSA-N 446.916 2.367 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(Cl)c1 1854605113 YUHKQBAFLVFJSS-CQSZACIVSA-N 431.901 2.202 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cncc(Cl)c4)C(=O)C3)C2)s1 1856325500 GJJWWMLBFQHJMD-INIZCTEOSA-N 429.933 2.227 30 10 IEEE N#CCC1CCN([C@@H]2CCCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C2=O)CC1 1856539128 YJIKODUKLQPVLO-OAHLLOKOSA-N 425.411 2.175 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc3ncsc3c2)C1)[C@H]1CCN(C)C1=O 1857076148 AHDGFHGLPXMZQC-YJBOKZPZSA-N 426.542 2.394 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 1862736319 XXANNAMKRSZJDQ-SFHVURJKSA-N 427.388 2.448 30 10 IEEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870144175 QXCKNSCVRLEDSH-UHFFFAOYSA-N 440.341 2.392 30 10 IEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1871007178 PVSBCZREJILRFF-UHFFFAOYSA-N 438.528 2.153 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2/N=C/c2cccnc2)cc1 1874431015 BGWWBCVNFYDDMD-WYMPLXKRSA-N 437.529 2.485 30 10 IEEE COc1cc([N+](=O)[O-])cc(/C=N/n2c(S)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 1874566235 OWCUHJWLSVJHHN-NPLBWUPPSA-N 434.478 2.186 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)N3CCC(C#CCN(C)C)CC3)OCC(=O)N2C(C)C)cc1 1890023419 SYVUXGUSDUKWMD-BJKOFHAPSA-N 441.572 2.176 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@@]21C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124523231 CTIBMHJRRJCSCR-DZKLMBRESA-N 444.341 2.408 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)C1 2249492108 ZRZNNUGRQXHIAE-BIWSTMPVSA-N 431.455 2.353 30 10 IEEE Cc1c(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534759 LMXDESZODXCQLB-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C2(CC2)C1 2255708794 NPTJHZPZGLUVTE-INIZCTEOSA-N 431.342 2.443 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2255838291 CYVJQUZSGVUDHS-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255886429 IDKAKMWJPNFQJW-MRXNPFEDSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](O)C1 2256887086 PBSMOUMLISIPSV-JKSUJKDBSA-N 437.321 2.302 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2267139036 AKEOINRYVHXODZ-HALDLXJZSA-N 448.373 2.330 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139452 GPXQRKUPIRUOSR-VQIMIIECSA-N 438.381 2.278 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 2267153578 YUVNCKFNODITBE-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE Cn1cc(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178561 DORILXSSCDNOPQ-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE Cc1cccc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267237330 NRFJAKRGIJFESW-SJORKVTESA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267265715 JRRRQSADULIFIT-UXLLHSPISA-N 443.353 2.366 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2267506283 VPKJWADBJXNMBS-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267549917 RSUXVWQKCXUIET-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268634861 KZOJZBIKYZFLHE-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2268643182 JRACLYAXWCFRKK-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3cc(Br)cnc3C#N)O[C@@H]2C1 2279767353 VKUVSXPUUZNVPZ-UHOFOFEASA-N 440.294 2.498 30 10 IEEE O=C(O)CN1C(=O)C(=O)C(=C(O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 2296212874 GERHWCJSZRVCRO-INIZCTEOSA-N 427.325 2.009 30 10 IEEE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2315696836 JUXZFUORAJKVAV-GOSISDBHSA-N 427.354 2.441 30 10 IEEE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 11293729 UCPDHHOIWQEOAU-UHFFFAOYSA-N 429.498 2.315 30 10 IEEE COc1cc(/C=N/Nc2nnc(SCC(=O)NC3CCCCC3)[nH]2)cc([N+](=O)[O-])c1O 20836305 VUNAHSYXOWBGBB-DJKKODMXSA-N 449.493 2.414 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccccc1 21322330 APALKSBZOQIHJF-CIAFOILYSA-N 426.462 2.467 30 10 IEEE C=CCNC(=O)N1CCc2nc(N3CCN(C4CCCCC4)CC3)nc(N(C)C)c2C1 34676910 CUPOAOFGQAWYIL-UHFFFAOYSA-N 427.597 2.251 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1OC 100302924 CPGGYKLXJDZCLC-VZCCSQPZSA-N 428.397 2.026 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1=O 101350952 ZDXAJLSXIVOQAX-UHFFFAOYSA-N 447.904 2.389 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccnc2)/C1=C(/O)c1ccc(Cl)cc1 102495903 VBTRECJNTOSBTP-HQMFNGAOSA-N 427.888 2.489 30 10 IEEE C[N+](C)(CCN1C(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O)CC(N)=O 250853078 NKQOYDGTAIUCLY-NEUULRRLSA-O 432.544 2.287 30 10 IEEE C=C1C(=O)[C@@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@@H]1C[C@H]3O 257803710 ZVPVWNQCJBMJLV-LIVPAHDJSA-N 434.529 2.325 30 10 IEEE biogenic CC[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 472431292 KKXILBAKKSDEFT-DHIUTWEWSA-N 448.571 2.464 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)n1 473332970 PLZYIUDCNWWCOS-UHFFFAOYSA-N 429.480 2.061 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@H]1CCCO1 478756631 QPMMHGAEGZGJIY-OAHLLOKOSA-N 431.583 2.362 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 509014395 XEWQORDADYAFNH-WMLDXEAASA-N 435.370 2.389 30 10 IEEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 553733093 GGPCKQBHQRJZHA-LJQANCHMSA-N 436.560 2.334 30 10 IEEE COC(=O)[C@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc(C#N)c1 569023800 ZKWIJWSEBZZMMI-OAQYLSRUSA-N 427.526 2.488 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@H](OC(F)F)C1 578581105 DPCDAHOSXFTPFX-HNNXBMFYSA-N 441.504 2.411 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C1CC1 588154184 CQSFCFWZFJAHNC-ZDUSSCGKSA-N 440.521 2.143 30 10 IEEE COc1ccccc1-n1c(C)nnc1SCC(=O)N1CCN(c2ncccc2C#N)CC1 619228301 DHDVWOFLIXRFLV-UHFFFAOYSA-N 449.540 2.292 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccccc2-n2cccn2)C1=O 726109438 AWPNLRJMOTWAPX-FXFSXJFASA-N 448.552 2.446 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1F 731321512 HOADBFUWAGRKML-MDWZMJQESA-N 429.473 2.221 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)C1 732650269 LPOCXAUKKNASCK-QKLQHJQFSA-N 430.574 2.166 30 10 IEEE COc1cc(F)ccc1N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 734487735 VTXVCNUERUMJEP-KRWDZBQOSA-N 435.459 2.482 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)OC[C@H](C)CS(C)(=O)=O 757993122 RPSDBYPRXUTFAH-NSHDSACASA-N 434.308 2.322 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)CC2)c1C#N 763606694 OMDKPMFGOKBHRO-MAUKXSAKSA-N 445.568 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 776925594 GHOHSZPLLNNRSH-LJQANCHMSA-N 428.533 2.249 30 10 IEEE C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)c1ccc(NS(C)(=O)=O)cc1 780177166 SMPGBAPMCDDPDA-ZUOKHONESA-N 438.502 2.434 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCc2c(cccc2S(=O)(=O)N(C)C)C1 789446318 HOOLWLVJHPXMFS-UHFFFAOYSA-N 436.541 2.391 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790297208 YZPFBFYCWCSLQM-UZLBHIALSA-N 429.583 2.120 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC#Cc1ccccc1 791301615 LELLCSVHZUDEKJ-LJQANCHMSA-N 433.913 2.468 30 10 IEEE COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802546108 ZTBCCPQPZZUKNY-UHFFFAOYSA-N 449.515 2.202 30 10 IEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 802563002 GRQXCKKQJJYGKZ-OALUTQOASA-N 446.596 2.490 30 10 IEEE C[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 807800822 AVYITEKPXIOHOY-MKBNYLNASA-N 434.422 2.244 30 10 IEEE C[C@H]1CN(c2ccc(C/N=C3/NC[C@@H]4CN(C(=O)OC(C)(C)C)CCN34)cn2)C[C@@H](C)O1 849087241 PLWWZNJHQPZWEN-ZIFCJYIRSA-N 444.580 2.076 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 1125489544 VMRYHRZWTJQNMR-UHFFFAOYSA-N 437.883 2.322 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cc[nH]n1 1149857974 SZHMOPGKHZPEBT-UHFFFAOYSA-N 426.429 2.221 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN(c4ccccc4C#N)CC3)OC2=O)C1 1167283580 HLVFJGUIUAIXMW-GOSISDBHSA-N 426.517 2.233 30 10 IEEE Cc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1 1167632455 CSFKETPBPXMATM-SFHVURJKSA-N 426.542 2.191 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)ccc1F 1174571541 XQOGJNLQPDXCLK-QGZVFWFLSA-N 430.505 2.310 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)C1 1180859876 BXBKHYLJXWQVQE-UHFFFAOYSA-N 439.438 2.349 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Br)cc1 1190716391 SOZFQZUXTRYCCZ-HNNXBMFYSA-N 434.315 2.292 30 10 IEEE Cn1cc(CNC(=O)NCC2CCC(S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 1226084201 XDWMOLKHSZEMDX-UHFFFAOYSA-N 429.546 2.361 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1286297156 AOZQZFFCPZHYAJ-PKOBYXMFSA-N 438.557 2.067 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286314529 QDYQDBIONWDALE-UHFFFAOYSA-N 435.532 2.178 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286505035 URWLBKLROUPDDL-HZPDHXFCSA-N 448.593 2.089 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286612479 VFRQJCXZIDOWGT-UXHICEINSA-N 446.596 2.347 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1286709978 JQLXIUXECHBFMP-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOC[C@@H]2C)C1 1286808291 VGQXSCXETVJRDG-FPOVZHCZSA-N 441.576 2.380 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)nc2)C1 1286811605 FWXPUODXDZIWJO-FQEVSTJZSA-N 433.516 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS[C@@H](C)C1 1286814986 JUFXRKHFRMTILL-AWEZNQCLSA-N 437.547 2.396 30 10 IEEE CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1287103466 UWTBWJOHNAKOTP-SFHVURJKSA-N 449.563 2.247 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCCC2)CCOC1 1288301037 JAGWPXBSTOTRTI-QFIPXVFZSA-N 430.553 2.104 30 10 IEEE COCCOCCOc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1Br 1289464255 NCIXWPLGZVFWDC-GFCCVEGCSA-N 438.282 2.154 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(CC(C)C)C1 1292132375 ARTOALPNDKQBNG-AZUAARDMSA-N 445.612 2.293 30 10 IEEE C=CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C(=O)OCC 1296236946 RYDQOCLYGGEVQO-MRXNPFEDSA-N 436.486 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300321310 KKOKHCJVDILOBM-CCWVLBSLSA-N 448.527 2.458 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1300700017 KQFDONGRMLXENF-MOPGFXCFSA-N 446.596 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCO[C@H]2CCOC2)CC1 1300726561 PSMIBXXDERRUHE-IBGZPJMESA-N 431.581 2.028 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300776471 KVGYPZTYVBHDDG-OAQYLSRUSA-N 445.520 2.394 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1300990404 KKLFKPDJPIDENB-DLBZAZTESA-N 428.624 2.495 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1301651106 GVWTWTZRJFIKEZ-AZUAARDMSA-N 449.559 2.036 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1302250974 DVJHXAJXTABMSP-FZKQIMNGSA-N 444.458 2.384 30 10 IEEE COC(=O)[C@@H](Cc1cncs1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1303323052 XOKBRQMXDBWFLA-BNRUBQPISA-N 448.545 2.130 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)c2ccc(Br)cn2)c1 1303580594 GJDWLLLVVOTGEX-UHFFFAOYSA-N 435.299 2.254 30 10 IEEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCOCC1 1312672465 ZXQZOOKDRKGBET-UHFFFAOYSA-N 434.345 2.143 30 10 IEEE COc1cc(CCCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(OC)c1O 1313091133 WIZVQCWJHMLEFN-QGZVFWFLSA-N 426.473 2.472 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1314549779 SGBDCRJYKWBSMW-HXUWFJFHSA-N 445.524 2.198 30 10 IEEE COCCN1C[C@H](Cn2c(CCc3ccccc3)nnc2N2CCC(C#N)CC2)CC1=O 1316121862 HTHJUXBWZMZQBH-OAQYLSRUSA-N 436.560 2.298 30 10 IEEE C#CCN(c1nnc(C)n1CCNc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1358956807 KSNATBKZGWHOLV-CQSZACIVSA-N 443.360 2.027 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1C 1358984921 KNXWUMJKBVGZRS-KRWDZBQOSA-N 439.541 2.454 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359058444 DKXXEIBFNMEPOD-NJNPRVFISA-N 427.574 2.403 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359205915 OGSCEBOINLPGIR-HNNXBMFYSA-N 437.591 2.249 30 10 IEEE Cc1nc([C@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2cnn(C)c2)no1 1450348274 GBSAZKWTTYTUFA-MRXNPFEDSA-N 431.250 2.030 30 10 IEEE CN1CCN(C2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)CC1 1454880403 QMZMUCAZNVOCCE-IQJRZOLZSA-N 445.608 2.012 30 10 IEEE Cc1cc(=O)oc2cc(OCC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)ccc12 1458000767 JLVJAUNTNGZIHX-UHFFFAOYSA-N 436.420 2.384 30 10 IEEE CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccn1 1461466713 FODQFAUCHJVUMH-UHFFFAOYSA-N 430.486 2.481 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1)C(C)C 1467660618 VAHUHZYSVPYGGA-OAQYLSRUSA-N 431.556 2.455 30 10 IEEE O=C(N[C@@H]1CCCS(=O)(=O)C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1469575901 GLPKJMFQTLYURQ-IWSPIJDZSA-N 444.344 2.376 30 10 IEEE C=CCSCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1469762030 ZNJICVCUSHTXEV-AWEZNQCLSA-N 445.326 2.393 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c1 1472119343 OZVGATGDOYEUCW-QRQLOZEOSA-N 425.510 2.293 30 10 IEEE CSc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N 1479311878 BNWUQPSVUOJBRM-UHFFFAOYSA-N 430.555 2.496 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)Nc2ccc(F)cc2)cs1 1492682060 NZVXPCYRXXWTQM-QGZVFWFLSA-N 441.492 2.140 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1504812657 GDGRUTCVTOVVPN-HXUWFJFHSA-N 440.548 2.174 30 10 IEEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)cc1 1505013160 RXQLNZZYTUSFJD-KRWDZBQOSA-N 426.521 2.326 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507552945 ASQVXQKOAPMKTH-GOSISDBHSA-N 437.548 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1507688520 CARNPSXLHRCFSF-NSHDSACASA-N 433.481 2.163 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nccs2)CC1 1507718289 NGMGOHGTJCVJSC-UHFFFAOYSA-N 446.378 2.306 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](CC)N2CCCC2)CC1 1507726869 MFCQOJKGTDTXRK-QFIPXVFZSA-N 447.587 2.358 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1507960107 VTUVGJPFALLLQD-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1507986517 PJWIUSNUORNRKM-UHFFFAOYSA-N 434.349 2.335 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1508075163 OUZLMLSFBVHAHN-INIZCTEOSA-N 427.509 2.329 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1508091607 VPVRTYHKWWJWOV-NHCUHLMSSA-N 438.576 2.185 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)OC 1512767864 IENBLFGXIXNEDT-ARFHVFGLSA-N 432.550 2.059 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)C)CC1 1519053855 MCSLJSVZBHGKBK-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCOC2)CC1 1521138074 XSIOKWRPHRKQTE-IBGZPJMESA-N 430.553 2.087 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2cc(Br)ccc2-n2cnnn2)c1OC 1521193137 UAMPTHAOGKPISU-AWEZNQCLSA-N 443.261 2.437 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1526638227 BMOGJTXLEQSZQP-IIBYNOLFSA-N 435.590 2.203 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C(=O)OCC 1535090452 DFOHGDKKOHWVAA-CQSZACIVSA-N 442.697 2.350 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1538310003 MTJWATBSJONTNY-LRDDRELGSA-N 431.992 2.235 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccc(F)cc1 1539193704 HXRSBHSUXBHCPU-OAQYLSRUSA-N 427.505 2.386 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC)N1CCCC1 1539258303 USIYZDKZMMASHQ-IBGZPJMESA-N 443.555 2.139 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN(C)C(C)C 1539260099 KZURBXLBMITZMP-UHFFFAOYSA-N 445.571 2.478 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539375636 CQAGHRDHTJGSHM-MRXNPFEDSA-N 442.511 2.356 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCCC2)CC1 1539454479 PQKCZLTZALRFKJ-UHFFFAOYSA-N 427.622 2.265 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)C1 1540904732 PTKWYIPZWIFYEQ-JOCHJYFZSA-N 448.589 2.484 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1541117354 DSMFENFQSQPZRZ-RDJZCZTQSA-N 437.470 2.123 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1541687783 COCMHFBIOJFOIX-HXUWFJFHSA-N 448.531 2.043 30 10 IEEE Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1542302745 CUXPIMSKBYWMFV-XUTLUUPISA-N 433.472 2.404 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1Cl 1544166451 CQTAYZZNQOMLSD-UHFFFAOYSA-N 432.933 2.424 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCC1 1552654924 AGFQUVSOKQQMBK-LJQANCHMSA-N 449.559 2.167 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCO[C@@H](c4ccnn4C)C3)ccc2c1=O 1556636451 FNSPUAIPMRHACC-KBXCAEBGSA-N 425.514 2.255 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1557243564 VCNBRPHBTYCRGB-QGZVFWFLSA-N 430.505 2.346 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1557428025 BYPCDAPFEFCOQH-WOJBJXKFSA-N 430.549 2.457 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Sc3ccccc3C)cc2)CC1 1558072845 GDNLYXPRTUNPER-UHFFFAOYSA-N 429.567 2.372 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1559732436 HIAYUHRFBAPEET-RTWAWAEBSA-N 441.553 2.155 30 10 IEEE C#C[C@H](NC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1564604012 WPNKXLIYSLVOKD-WOZUAGRISA-N 446.592 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588124339 JCGGZXPOIZQFKJ-HXUWFJFHSA-N 441.539 2.390 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1588238194 LQPIXAHQAXZLCT-UHFFFAOYSA-N 447.564 2.320 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCC)CC1 1588969254 ZBOLZZITYLAGFW-RTBURBONSA-N 431.581 2.199 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589544492 HYBDJWVACIWBDV-SJLPKXTDSA-N 444.580 2.369 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1589589974 RDUQCKHVBNBUAB-UHFFFAOYSA-N 432.550 2.295 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1594963791 XMOCIGBLTFUNEV-KRWDZBQOSA-N 431.541 2.496 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1595120067 LOOYAQVXMCJYFC-INIZCTEOSA-N 449.552 2.183 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595185310 WBORXCMFOLYLMY-QGZVFWFLSA-N 431.562 2.414 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(ccnc2O)C1 1595405330 KHYMTULSYBLJME-KRWDZBQOSA-N 442.520 2.436 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1595551647 UAVNYSHEXZENFY-SFHVURJKSA-N 443.527 2.318 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1595614199 PQSMEWFDBGMCQH-DYESRHJHSA-N 445.520 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1595788712 HQZJJSGANBPBML-RBUKOAKNSA-N 443.573 2.480 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1595838361 PWUJURSPPDJRSS-UHFFFAOYSA-N 436.582 2.195 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1596721962 FKGWBIYMAMWFQQ-LEWJYISDSA-N 438.532 2.495 30 10 IEEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCCCC1 1597381177 NCLDYOMBXQTPRW-KZNAEPCWSA-N 438.590 2.499 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1598205474 ZKMBZCOOWPUZPF-VXKWHMMOSA-N 443.573 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1CCCOCC1 1616905929 AXCLJFZXOJPFTB-HXUWFJFHSA-N 428.533 2.231 30 10 IEEE CCOCCn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617198164 CTKBXTCJCNZVHV-UHFFFAOYSA-N 425.518 2.205 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1617204168 OCXWOJWOAOYRSQ-UXHICEINSA-N 427.505 2.149 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(Br)ccc3Br)C[C@H]1CS(=O)(=O)C2 1618171518 ALZPZDKUKFDOBX-LKFCYVNXSA-N 448.136 2.222 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1619844769 CAUTXWTZTPVGIN-PXNSSMCTSA-N 440.548 2.221 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1620474238 FASREJUTFDKPFZ-HXUWFJFHSA-N 447.580 2.380 30 10 IEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(CCC#N)Cc1cccnc1 1626885546 BTJZECBPFMNGTB-LJQANCHMSA-N 431.537 2.379 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)c2ccccc2Br)c1 1629868744 KAGBNBCVFXZTEU-INIZCTEOSA-N 441.278 2.349 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)c1 1630105106 IYAXQDGGWXNHDE-UHFFFAOYSA-N 431.367 2.389 30 10 IEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1630767110 YRCDQAVYFLGTJK-HXUWFJFHSA-N 443.548 2.237 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2ncc[nH]2)c2cncc(C)c2)s1 1632856746 KSYPXAZUVIFVGB-UHFFFAOYSA-N 431.543 2.415 30 10 IEEE CC(C)(C)OC(=O)CC1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 1635701275 MJFLTWFXFZEWHC-IBGZPJMESA-N 441.528 2.304 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N[C@H]3Cc4cc(Br)cnc4NC3=O)n2)c1 1646535171 NJDUNDXKYOUNAO-INIZCTEOSA-N 437.257 2.195 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC1CCSCC1 1648441331 PPBDCGASBACBLC-KRWDZBQOSA-N 439.603 2.168 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)c1C#N 1684141524 LGALMTONQHJMSD-UHFFFAOYSA-N 440.573 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689826276 LBDOJJMHFNAWBF-LSDHHAIUSA-N 435.454 2.268 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1689873308 DJYMHFRQZXYJMW-UHFFFAOYSA-N 426.565 2.299 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@@H](C)c1ccccc1 1690019362 GOMIOBAEGPOKDT-FPOVZHCZSA-N 440.569 2.421 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(Cc2ccc(F)cc2)CC1 1690019794 RRLWFWZEYJNMHX-LJQANCHMSA-N 440.544 2.415 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1690041894 MYVXSWMPKPPVRF-HSZRJFAPSA-N 436.585 2.011 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCn1cc(Br)cn1 1690104831 KASAVFIFDNIIPG-UHFFFAOYSA-N 444.337 2.009 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2CCN(CC(F)(F)F)CC2)CC1 1690148658 OGLBSOVCYCCIFZ-UHFFFAOYSA-N 440.514 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](F)COC)CC1 1690154565 RRUAGOOYXZEZKY-IPMKNSEASA-N 449.571 2.147 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690288004 CNDWZDHJAZQPBU-HNNXBMFYSA-N 437.516 2.361 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1690668592 BBZLGRIOEQVNJU-PBHICJAKSA-N 427.534 2.009 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1690678360 UDGXOIDECIBPPG-PMPSAXMXSA-N 436.532 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690722775 VAVQZHUSHPTLHR-LJQANCHMSA-N 441.561 2.287 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690752227 BIKWCFRIVRLKHJ-GOSISDBHSA-N 442.593 2.289 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1693645317 BUIIOLVXVRHZOY-GTCCEBARSA-N 443.573 2.239 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1693691682 LSAUXVWGLHJRSY-GOEBONIOSA-N 448.369 2.259 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](OC)C(F)(F)F 1694789656 XBBRLUSGQHRSMH-HOTGVXAUSA-N 436.438 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1cn(C2COC2)nn1 1705487521 ZTLLTDZLNSCGAV-ZDUSSCGKSA-N 442.321 2.377 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCCN(C)C)c2)CC1 1705638077 WXQOMTNDAYKOKH-UHFFFAOYSA-N 445.571 2.084 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1705675285 ZVLDFGXDTFEQQP-PGRDOPGGSA-N 433.622 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1705704751 YZRXGTSHCJQKCO-LPHOPBHVSA-N 449.552 2.147 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1705860836 WZXSAVOHBDOHOR-NQIIRXRSSA-N 449.559 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC(C)(C)OC(C)(C)C1 1705937215 MRVSLHKMXVTSKX-UHFFFAOYSA-N 433.578 2.259 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1712524613 GKKKRBJVRXNLMU-DLBZAZTESA-N 439.582 2.099 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS1 1712536935 IOKVLTIQGMWWKJ-PBHICJAKSA-N 444.561 2.433 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)C1 1712875075 KFVUNXWKPLTEFC-QLJPJBMISA-N 439.314 2.490 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H]1OC 1722375844 SIXYLANUZZCXSN-ICSRJNTNSA-N 426.542 2.237 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1722384835 YFJGOXIRKYMOEM-INIZCTEOSA-N 447.358 2.064 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722385124 ALLUFUWWZUJQPT-LEWJYISDSA-N 443.617 2.288 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722461798 GYXYZQBIGXYRSC-PKOBYXMFSA-N 431.631 2.454 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722531864 ZRMUKCBEYIXAGP-INIZCTEOSA-N 429.521 2.222 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1727013821 HBHOAAWUCBRFNW-KRWDZBQOSA-N 430.578 2.030 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740550323 HTMUQCFIDIHNSD-QGZVFWFLSA-N 439.541 2.204 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1740616022 PXHMXHYOCPDQNC-SFHVURJKSA-N 449.621 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C(C)C)C(C)C 1740657142 QNFQACUMOJUOFG-FQEVSTJZSA-N 433.622 2.152 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)CC 1740657936 CTTMRKLKABVCOH-UHFFFAOYSA-N 428.558 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1740659260 XBKPMMUFUUGNLM-HSZRJFAPSA-N 439.947 2.425 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2ccc(Br)cc2C1 1740960327 PJEMOFXHWHRXIP-HNNXBMFYSA-N 446.349 2.409 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)C1 1740973258 TXHBQAXFQABDTJ-PGRDOPGGSA-N 429.521 2.163 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCO2)C1 1740983572 LAIGMBUETAVDQE-IRXDYDNUSA-N 429.546 2.396 30 10 IEEE CC(=O)NCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1741119870 BVADOEMPWNSFGX-MRXNPFEDSA-N 434.953 2.479 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1743754596 XQYHBBBYGVUUCU-IERDGZPVSA-N 427.578 2.253 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1748745440 RGYANMIBFXPJOS-DEOSSOPVSA-N 447.543 2.051 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748801681 DKKGQEQMOMXGGE-GOSISDBHSA-N 449.621 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CC1(OCCOC)CCOCC1 1748889162 DNWBGYXEALIYBN-UHFFFAOYSA-N 447.539 2.492 30 10 IEEE COc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1749069190 DZICWPXLJFZWON-UTKZUKDTSA-N 429.546 2.367 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749131809 WAFWOBIFKBGCRQ-AOIWGVFYSA-N 438.594 2.167 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749402013 HUTVARQOBQGUBK-WOJBJXKFSA-N 430.597 2.271 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749403142 XLYOZEMKLHHOCC-DLBZAZTESA-N 435.594 2.032 30 10 IEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749459884 UPUGIZXOOYHLLQ-UHFFFAOYSA-N 444.561 2.044 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749655373 JKZUYCZNEOPLLO-CJNGLKHVSA-N 449.353 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nncn2C)C1 1749693138 GSHUFPPBBJBTBF-GOSISDBHSA-N 436.520 2.105 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)[C@H](C)C1 1749877284 SCEJFFSFLRXEOJ-XLIONFOSSA-N 438.532 2.212 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1749899403 VOIHTTMZWAWYCC-UHFFFAOYSA-N 447.499 2.010 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1749955625 AINGKYANOFXTKY-UHFFFAOYSA-N 449.481 2.416 30 10 IEEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1750041004 ZHCWCAIBPZJFJN-JPYJTQIMSA-N 438.532 2.433 30 10 IEEE CC(C)c1nnc(N2CCC=C(Br)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750636269 UBSHAAIMGSFSQB-BMRADRMJSA-N 435.326 2.417 30 10 IEEE Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1)C2 1751655274 MBWAYWXNSSAERG-OAHLLOKOSA-N 440.529 2.272 30 10 IEEE C[C@H]1CCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1752194637 CBPQZYHLSRRYCI-MGPUTAFESA-N 431.541 2.196 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)C1 1760274003 FIVWUSJTQQQBBC-AEFFLSMTSA-N 433.603 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1760316117 MMQLQRQGNQBTPF-QINHECLXSA-N 429.496 2.475 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1760451357 GKVJFVPYAZWXFO-UHFFFAOYSA-N 434.544 2.426 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1760485306 YIFFFAPCBIJOPU-KRWDZBQOSA-N 437.541 2.005 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760511424 GLOQYVUQOCMSEK-SFHVURJKSA-N 428.924 2.475 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1760563710 AIGWOTLQMBJATA-AWEZNQCLSA-N 439.545 2.215 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1760760297 NEVSOBIEJIBNQL-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1761120596 CHVWMCVWWHVBTC-UHFFFAOYSA-N 433.564 2.356 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1761362529 CVODQRKUDRMKCB-DLBZAZTESA-N 441.561 2.359 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)C1 1763108545 ZEUHTGBJBSJHHO-LZICOFPGSA-N 438.536 2.077 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CC1 1765560019 NQDCSNWBTONHEI-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCOC)CC1 1767099511 BJHOYVJUMFAPRS-LJQANCHMSA-N 425.581 2.315 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1767675157 VIAPBKFVTINWTL-HNNXBMFYSA-N 438.463 2.472 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769129016 UEOHRLIDVWJOJO-UXHICEINSA-N 439.564 2.121 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1770308601 HHMUAKPWYAOGGK-INIZCTEOSA-N 435.937 2.295 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(C(=O)N(C)C)CCCC1 1771280124 HPBQHTASGWIIOG-SQNIBIBYSA-N 432.569 2.247 30 10 IEEE N#Cc1ncccc1OC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1849792280 XZGMWDUQELFNBE-UHFFFAOYSA-N 426.498 2.031 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc(Br)cnc3OCC3CC3)CC2)n1 1851476056 JAWZGKXZYQKTMC-UHFFFAOYSA-N 443.305 2.257 30 10 IEEE N#Cc1ccccc1OCC(=O)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 1852126791 ICQLQHINUWNTJM-UHFFFAOYSA-N 431.496 2.059 30 10 IEEE Cc1nnc2c(N3CC[C@H](N(Cc4c[nH]nc4-c4ccccc4)C(=O)CC#N)C3)nccn12 1853511305 MBTALZPROSYNBZ-IBGZPJMESA-N 441.499 2.344 30 10 IEEE CC[N+]1(C)CCC(N(CCS(=O)(=O)N2CCCCC2)C(=O)c2cccc(C#N)c2)CC1 1853566531 LJQYLBIGICAYCN-UHFFFAOYSA-N 447.625 2.445 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)C2=O)CC1 1853745743 BFOLIIJOOWUTPV-HXUWFJFHSA-N 431.558 2.135 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)c1 1854052529 QVBJMTOQTBPOMI-GOSISDBHSA-N 449.960 2.048 30 10 IEEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)c1 1854525632 QZBHTTVMQZVSMA-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2C(=O)O)cc1F 1862639584 BXVSLPGJQGWHCO-GOSISDBHSA-N 429.400 2.493 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868796599 WFXCYUHLNOCUJS-NZSAHSFTSA-N 432.590 2.150 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(N3CCCC3)cc2)[nH]1 1871677052 MVDULVUJOKHJSO-UHFFFAOYSA-N 439.564 2.237 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccco1 1874274761 OWLVUMUPCCDKRR-HYLGSWLWSA-N 432.550 2.486 30 10 IEEE Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCCN3CCC(C#N)CC3)cc2)c1 1891046553 GJWAZBJPMPVPNK-UHFFFAOYSA-N 440.569 2.439 30 10 IEEE Cc1cnc(-n2cnc(I)c2I)c(C#N)n1 1985428660 FUOCVABNSHAODX-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C=C(Br)CS(=O)(=O)NCC(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1 2074234381 MXWFUDLCFDQTAQ-UHFFFAOYSA-N 440.404 2.146 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CCC 2124502085 UYQFMWCVNUTYJL-GFCCVEGCSA-N 428.331 2.374 30 10 IEEE N#CCc1ccc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1 2174779070 FGQQUXIPJPTJRK-IBGZPJMESA-N 429.498 2.069 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2247922836 OCIGGIQUBVHWTH-UONOGXRCSA-N 435.355 2.276 30 10 IEEE COc1cc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2255829887 WZGGVVVCNCHCHG-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE Cc1nc(NC(=O)C=C[C@@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256679438 WOCTZQRKHOWZCU-CYBMUJFWSA-N 432.330 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)[C@H]21 2256680560 YTOQFHDUQLLZHJ-GVDBMIGSSA-N 434.342 2.411 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267090783 NQUVDIDOSODXMX-RTBURBONSA-N 436.365 2.303 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267148307 XWOYQEBYUQGQTB-BFJAYTPKSA-N 446.357 2.131 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCC1 2267523248 YSUBODQCXACSQA-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523531 CYKOYGIKMYSYHY-AWEZNQCLSA-N 448.373 2.047 30 10 IEEE C[C@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267525777 JHERBLVVRDKIAZ-GOEBONIOSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccn(Cc2ccccc2)n1 2267529295 YMTUMIYBJOPVBQ-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267614933 VKZUZWPXBMZEFV-JKSUJKDBSA-N 446.357 2.294 30 10 IEEE Cc1ccc(NC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2268638419 SRCYWFNSCBTCNH-UHFFFAOYSA-N 445.369 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268718217 PLHBFEQMKRWMIH-HZPDHXFCSA-N 447.341 2.080 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c(OC)c1 2296627151 IORYZZNFUQWADR-HXUWFJFHSA-N 425.485 2.472 30 10 IEEE C[C@@H](C#CC(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302415666 SGZYBGPHESPVJK-KSFYIVLOSA-N 439.553 2.123 30 10 IEEE COc1[nH]c(=N[C@@H](CCO)COCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2320505707 XDDCCZOACRUVTO-SFHVURJKSA-N 428.338 2.191 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342480211 BAZSDOIOAXTPKS-HNNXBMFYSA-N 434.165 2.430 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 27559477 GJQWAMRTNPYPJM-LSDHHAIUSA-N 429.590 2.090 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c(OC)c1 102758660 IORYZZNFUQWADR-LCPUNJGISA-N 425.485 2.472 30 10 IEEE N#CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 111050907 VHQIGFSVKIBGPM-UHFFFAOYSA-N 439.481 2.035 30 10 IEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)c1ccc2c(c1)OCO2 254410684 XMYMFOZSIAVORK-YJBOKZPZSA-N 430.507 2.326 30 10 IEEE COCCNC(=O)CSc1ccccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461322443 XUSZSLJBADRVCC-UHFFFAOYSA-N 436.497 2.246 30 10 IEEE C[C@H](C(=O)N(C)CCC#N)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469994009 WDGZNYLTGYTHAG-CQSZACIVSA-N 427.332 2.277 30 10 IEEE C=C(C)COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 475381642 DIXVCYWKKBUTFR-MRXNPFEDSA-N 431.352 2.311 30 10 IEEE CCn1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc2cccnc21 477299980 MMBLLNATTYDENQ-UHFFFAOYSA-N 438.513 2.362 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cscn2)c1=O 478755662 OIZXCTWTDPVXMB-OAHLLOKOSA-N 437.546 2.163 30 10 IEEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 482507088 IATYNPTWSBRAJB-FXAWDEMLSA-N 429.542 2.331 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)cs1 485317251 JQSLTJJLCJVCKY-LJQANCHMSA-N 448.570 2.260 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 504346487 WHDPJXXSRGXXJY-UHFFFAOYSA-N 425.489 2.445 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 504636929 QDLQKNWMGMZOLB-IUODEOHRSA-N 436.925 2.237 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508489810 OUMNORGPVCEYDF-XMMPIXPASA-N 447.543 2.358 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1-c1ccc(F)cc1 514478696 HZFTXKPMKSDSQU-UHFFFAOYSA-N 425.510 2.009 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC1 539198700 XANHTAIWLJIJLA-JOCHJYFZSA-N 448.011 2.029 30 10 IEEE CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 539356435 DIIMWAAEKTXMBT-GOSISDBHSA-N 435.528 2.438 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 539372587 AOSSYQIUBIZGIJ-DLBZAZTESA-N 444.532 2.270 30 10 IEEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2cccc(C#N)n2)CC1 544881712 LSAVAGMOFIHEGU-SFHVURJKSA-N 434.544 2.123 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 549638735 ATBCZHMMIMERMA-QGZVFWFLSA-N 441.504 2.102 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 555171140 UMWXGGUALKTLOT-HOCLYGCPSA-N 441.509 2.115 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCc2ccccc2)cc1 567919912 BDBKIJFQJUTLJH-QFIPXVFZSA-N 444.539 2.492 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C#N)c3)CC2)cc1 586104332 AJMAZPHCSSJZPA-UHFFFAOYSA-N 426.498 2.100 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(F)c1 586859726 GSOMCHIXAUFHIU-UHFFFAOYSA-N 434.471 2.397 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC3(c4noc(C(F)F)n4)CCC3)C2=O)cc1 589924823 ZMUNYYCJQVLZLR-CQSZACIVSA-N 430.415 2.358 30 10 IEEE C=CCN(C(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1nc(C(=O)OCC)cs1 604534089 QAWCZSJHICTHLD-UHFFFAOYSA-N 437.543 2.244 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4cccc(F)c4)CC3)C2=O)cc1 609604551 KTPRNTBOXSZYFD-FQEVSTJZSA-N 435.459 2.251 30 10 IEEE C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)o1 610487201 JDMURLXPWXTJDG-DNVCBOLYSA-N 445.544 2.456 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 619834756 OKYBPKXRDZTWCI-QGZVFWFLSA-N 425.493 2.006 30 10 IEEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730137771 IEUXTHWIUWDQRF-OALUTQOASA-N 432.590 2.427 30 10 IEEE C#CCCNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 733287675 MFYONOHHHKAQGG-UHFFFAOYSA-N 438.141 2.020 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1CC(=O)Nc2ccccc21 733611285 GYFGCOOSAHLBHE-INIZCTEOSA-N 436.468 2.332 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(C)C)c2=O)cn1 735069364 UISLEIAUDSEGFD-UHFFFAOYSA-N 449.580 2.338 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 744705973 VDTNFAGBKVZJCN-SFHVURJKSA-N 441.488 2.272 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)O[C@@H]3CCN(c4sccc4C#N)C3=O)CC(=O)N2C)cc1 764550997 PBDYIVFLAZHGJC-ZHALLVOQSA-N 439.493 2.496 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1 768759444 YSPUHAVRAHMPQV-AEXIOTRNSA-N 442.488 2.132 30 10 IEEE Cc1sc2nc(COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)nc(N)c2c1C 771921098 KQYWMTXBFPSUHI-UHFFFAOYSA-N 430.511 2.420 30 10 IEEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 777331909 JPRSXYSOURQWMA-UHFFFAOYSA-N 437.481 2.068 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783957458 MJVHQKLIRVTRJA-UHFFFAOYSA-N 434.546 2.053 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1F 787058042 HJBFSOUJMPBJHM-YJBOKZPZSA-N 438.415 2.421 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](O)c2ccc(C#N)cc2)C1=O 789887803 DYDCHSQWIHSVFW-ACRUOGEOSA-N 449.507 2.392 30 10 IEEE Cn1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccsc2)n1 790738347 REHYNSGVURMORZ-CQSZACIVSA-N 427.515 2.432 30 10 IEEE CCn1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)cn1 795173078 NDIGFTVQNZUCMC-LJQANCHMSA-N 442.589 2.411 30 10 IEEE Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 799771836 RGDQEGPMUMINEJ-LBPRGKRZSA-N 429.296 2.027 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@](O)(C(F)(F)F)C1 800773758 LPJZCLZAQIELCO-GOSISDBHSA-N 425.411 2.394 30 10 IEEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 802619430 BTZHEJWWPZXVJL-WOJBJXKFSA-N 427.505 2.242 30 10 IEEE C#CCC(CC#C)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 803701103 LGEZKLFVDQQIJT-UHFFFAOYSA-N 430.526 2.314 30 10 IEEE COC(=O)c1c(F)cccc1NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807987759 KRIRUJCBPNJOJX-UHFFFAOYSA-N 430.255 2.468 30 10 IEEE C#CCN(CC(=O)N[C@H]1CCOc2ccccc21)CC(=O)N[C@H]1CCOc2ccccc21 914867370 UTVSZYQEJAFMGC-SFTDATJTSA-N 433.508 2.202 30 10 IEEE CCC(=O)N[C@@H](CCSC)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918615964 HFMXBPQRAMFCGU-MXVUGKIDSA-N 440.591 2.086 30 10 IEEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1134516063 ZMNWEMFZYKTCBD-GOSISDBHSA-N 437.537 2.249 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCC3(O)CCC3)nnc12 1183706519 JMRNVGFFEMLKBW-UHFFFAOYSA-N 427.530 2.134 30 10 IEEE CNC(=O)c1cc(O[C@@H]2CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)ccn1 1195686023 CRTWMHZBNOAEJM-AEFFLSMTSA-N 425.514 2.023 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)nn1 1213353460 FFUITDAKJWMVIN-IBGZPJMESA-N 433.534 2.075 30 10 IEEE C=CCN1CCC(NC(=O)N2CCC(n3nnc(C(=O)OCC)c3C(F)F)CC2)CC1 1226843935 WRYYTPGSINWMTP-UHFFFAOYSA-N 440.495 2.389 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)C1CCC1 1286305085 ZIQLYQHLRRRPBR-OAHLLOKOSA-N 428.562 2.034 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286396490 VRPRTAGBKLGXHO-UXHICEINSA-N 443.573 2.093 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1286413132 QJQILUNITKJGAF-IBGZPJMESA-N 435.553 2.390 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCCCS(C)(=O)=O)CC1 1286482496 SYQKFOPZHONNBT-UHFFFAOYSA-N 443.617 2.147 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)COCC)C1 1286810016 MVKPODLMMYVUKW-SJORKVTESA-N 426.583 2.024 30 10 IEEE CC(C)(C)OCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1287080431 QKXKKMHJIZSIIQ-QGZVFWFLSA-N 446.939 2.405 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1287126130 MPAKMJDKTPPGBK-APWZRJJASA-N 444.511 2.448 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1C 1289743904 UDQNYWMRKLSCAS-IAGOWNOFSA-N 446.458 2.300 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOCC2(C)C)cs1 1290418734 XYDJAYBEMJRMES-FQEVSTJZSA-N 433.557 2.187 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cnccn2)CC1 1300422605 UMCCKNPQESEORW-UHFFFAOYSA-N 433.516 2.396 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCOCCN(C)C 1300449097 MVTNMXMNZKLABJ-UHFFFAOYSA-N 436.354 2.364 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](COC)OC 1300536437 XMZDLWBYIWWDSG-RBUKOAKNSA-N 445.564 2.127 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](CNC(C)=O)C1 1300754046 GLMIBOQOUGDRDU-MRXNPFEDSA-N 433.965 2.306 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOCC)CC1 1301052200 WDJNFHWYNXVAGE-UHFFFAOYSA-N 438.985 2.181 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H]1CC 1301497430 WLSLPKPVTDWIIL-HOTGVXAUSA-N 435.532 2.119 30 10 IEEE COCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1301551458 LYRZHDBRGGVWHE-QGZVFWFLSA-N 432.912 2.017 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1303472816 QJURICUWTBIECG-UHFFFAOYSA-N 436.607 2.388 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)c1 1304896417 YGBPOIJRTPSRMF-UHFFFAOYSA-N 431.445 2.203 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 1312353238 DMUBHCWTDVWBHM-UHFFFAOYSA-N 429.564 2.118 30 10 IEEE CCN(C)C(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1313557177 DGJDEIHPQJKQID-HXUWFJFHSA-N 432.525 2.499 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCC2)CC1 1313988920 VVEJBCSNCZJDPQ-HXUWFJFHSA-N 433.560 2.431 30 10 IEEE COc1cccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1315585900 KNTMIRSKZAUXGM-JOCHJYFZSA-N 442.495 2.434 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOCC 1358948562 FKBYTHNZPGERAJ-LJQANCHMSA-N 446.573 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)CCOCC1 1358976396 CJEHXUQCSBXXNC-UHFFFAOYSA-N 430.512 2.082 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1Cc2ccccc2O1 1359019024 IPCUANDYTMRVEW-WMZHIEFXSA-N 426.517 2.020 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ncccc2C)n1 1359028581 XDIPSDXVHYQMLO-LJQANCHMSA-N 435.532 2.016 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)N(C)C 1359072753 PMLIDQRUYYXDKF-JOCHJYFZSA-N 429.590 2.337 30 10 IEEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359583817 GBQCKUDGHIIFDT-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc(F)cc3)CC2=O)cc1Cl 1435135598 VIBSFVOWMKVOME-OAHLLOKOSA-N 428.851 2.250 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CC#N)C(F)(F)F)ccc1Br 1439450132 BOHXFOSRLOOGFL-NSHDSACASA-N 428.230 2.274 30 10 IEEE O=C1C=COC2(CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)C1 1439728060 SPMVYGUEGSOEMA-KRWDZBQOSA-N 431.876 2.409 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1440745749 HWXUNLDCSDPYJZ-MRXNPFEDSA-N 427.505 2.379 30 10 IEEE N#C[C@H](NC(=O)COc1nsnc1N1CCOCC1)c1cccc(Cl)c1Cl 1443517638 MNAIUEWXTDMUTL-LBPRGKRZSA-N 428.301 2.441 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)/C=C/c2ccccc2)c1 1448193168 GQZDWEZRKCEXIE-JXMROGBWSA-N 429.473 2.072 30 10 IEEE C[C@H]1CN(CCN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)O1 1448927153 ATLJLWZTSDCAEZ-GASCZTMLSA-N 435.366 2.325 30 10 IEEE C#CCCN(CCOC)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1476419788 GQSQPNZLHVNTLN-UHFFFAOYSA-N 432.525 2.037 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCCN1CCC[C@H]1CO 1492900889 CLZKCJKAAAUGTI-IBGZPJMESA-N 441.555 2.161 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499982807 VUYRNZJEYTXYJL-HNNXBMFYSA-N 425.537 2.489 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1502212742 HIKIPAXPXYJHPR-SFHVURJKSA-N 449.602 2.495 30 10 IEEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)c(OC)n1 1504260119 BBCDCPOGIPSXML-CQSZACIVSA-N 436.476 2.124 30 10 IEEE COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)N(C)C)c1 1504323835 DTUALIOEPHKQEW-QFBILLFUSA-N 427.553 2.466 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1504437235 AZTSIJYCROBHOV-DHIUTWEWSA-N 438.532 2.474 30 10 IEEE COCCN(CCC#N)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCN(C)C1 1504885313 XPXSWPHOUURBGQ-HSZRJFAPSA-N 438.576 2.181 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnn(CC)c2)CC1 1507732435 MTGSLUINGRPBAW-UHFFFAOYSA-N 433.560 2.494 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(C)=O)CC1 1507746652 DXTJVRLNABGLJU-UHFFFAOYSA-N 441.557 2.188 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507751361 MYXJGJAPOFQYHK-SFHVURJKSA-N 430.578 2.157 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1507795906 FVUOCAFURPNNIV-DAYGRLMNSA-N 437.495 2.256 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1507795911 FVUOCAFURPNNIV-VKJFTORMSA-N 437.495 2.256 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508078229 XFARKKHPOSANFR-UHFFFAOYSA-N 428.537 2.232 30 10 IEEE CC(C)C(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1508802540 JJFCQESNACKORD-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)C1 1517478077 HXVNWGTYFIOKHM-WKRVVKTRSA-N 442.589 2.326 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 1527211463 LNYQUJVPZJTMQG-HDRDJLNBSA-N 432.546 2.133 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cccnc2OC)c1 1539043829 UVFZHAZRRISLEE-IBGZPJMESA-N 446.511 2.290 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230437 HPJMXXBDPAIZRK-NTZUZEMLSA-N 434.606 2.479 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1539342870 ATZCOWMTPQYQQV-AWEZNQCLSA-N 425.942 2.080 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1539345610 WNAVWEKYVOSIMU-DEOSSOPVSA-N 445.608 2.423 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1539391189 APAAWYGQCOROLJ-XMMPIXPASA-N 434.519 2.109 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCCC1 1539422425 BFACPBMPZIMUKY-HDICACEKSA-N 447.580 2.440 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 1539517484 OQPXIZJVSMICIW-MRXNPFEDSA-N 440.635 2.331 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1539596732 OSLIQPYAQPVIKY-ZDUSSCGKSA-N 433.372 2.094 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1539627321 IXCFBHDLKPIHJQ-LMMKCTJWSA-N 433.553 2.046 30 10 IEEE N#Cc1c(CCCNC(=O)CCc2ccc(C(N)=O)cc2)nn(-c2ccc(F)cc2)c1N 1540747371 YYMKASBZAPLMDH-UHFFFAOYSA-N 434.475 2.246 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540867784 HRSJIFDPISMMFW-IBGZPJMESA-N 438.576 2.245 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540919441 ATWQVVLZNMZWSF-JOCHJYFZSA-N 438.557 2.364 30 10 IEEE N#CCOc1ccc(CC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1544671959 BPCFXIWJQZEGMV-MJGOQNOKSA-N 439.434 2.206 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 1544787208 SIPDSLGNGWGVTP-UHFFFAOYSA-N 447.538 2.024 30 10 IEEE CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)no1 1546366170 DVTZUHULLUUJCD-MSOLQXFVSA-N 448.531 2.348 30 10 IEEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC#CCO)c1 1556368901 CBYCUSVDJBEHMU-UHFFFAOYSA-N 448.928 2.455 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OC 1558384051 SXEXMSNPADIKRJ-DOTOQJQBSA-N 425.551 2.073 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OC(C)(C)C[C@H]2O 1558635003 BNPCSNBQAHYCBU-SCLBCKFNSA-N 429.498 2.458 30 10 IEEE N#CC1(C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)CCSCC1 1568309107 LOOTXXONSYKNKP-UHFFFAOYSA-N 433.335 2.482 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)Nc1cc(OC)cc(OC)c1 1570017231 KAYREXBSILYKPN-GOSISDBHSA-N 433.505 2.407 30 10 IEEE COCC(C)(C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1570504371 WFMCLYGSUORXEZ-FRIYVGAWSA-N 434.581 2.342 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] 1586587049 VHHZGEBRWJGLMW-JFIYKMOQSA-N 438.488 2.451 30 10 IEEE N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)c1ccccc1Br 1587958892 ZADVAQIQIMIPCV-CQSZACIVSA-N 428.206 2.328 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1588445672 QELWXFRROUBCCN-UHFFFAOYSA-N 428.562 2.132 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccsc1 1588613126 UBMKSLKVLMNEEK-UHFFFAOYSA-N 434.529 2.311 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1588968414 LDHXRLRVBPYYJX-HXUWFJFHSA-N 444.624 2.148 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1589171518 IKKIPSVZCNFNBI-PBNUPURSSA-N 426.517 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)C1 1589504749 JEBRMQZNCFMSGC-KKSFZXQISA-N 441.532 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1589513648 AWTJACOBLMVODO-APWZRJJASA-N 431.562 2.335 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCOCC1 1593735500 IRECMLCWWCHBBG-UHFFFAOYSA-N 434.566 2.058 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2COCCO2)CC1 1594036251 QNFXRIQHHQPBRM-SFHVURJKSA-N 432.546 2.311 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1597706543 IDUTXCZMDLEAEV-UVDDSOTQSA-N 440.573 2.223 30 10 IEEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1612449271 ACMDRVLNPYEJNN-CVEARBPZSA-N 441.561 2.280 30 10 IEEE CN(C)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)c1 1617668538 ABTFWUGUQSNOIB-LJQANCHMSA-N 442.589 2.425 30 10 IEEE CON(C)C[C@H](O)Cn1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cn1 1623158404 SBUSTXBLEBJNPA-NRFANRHFSA-N 435.484 2.440 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nn1 1625175282 FBEDTPXONXSRHB-UHFFFAOYSA-N 444.344 2.308 30 10 IEEE CCOC(Cn1ncc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1N)OCC 1626789206 XLCPUQAYNWRXGS-UHFFFAOYSA-N 427.505 2.420 30 10 IEEE COC(=O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@H](OC)C1 1628303627 IAPVWWGYHRMEQS-CMKODMSKSA-N 436.549 2.500 30 10 IEEE C#CCN(C(=O)NCC(C)(C)N1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1629323521 QWOFDQKOLJFMJH-UHFFFAOYSA-N 435.613 2.057 30 10 IEEE C=C[C@H](COC)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1634650350 QJFFVCFUFQAQDC-QVKFZJNVSA-N 437.496 2.086 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2cccc3ccccc23)cc1 1638411209 BLFKUADDDOJBPZ-OAQYLSRUSA-N 436.489 2.395 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@H](NC(=O)OC(C)(C)C)C3(C)C)CC2)c1C#N 1638688810 IPKLIAGTBCIOGT-IRXDYDNUSA-N 430.553 2.188 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1639814247 PYPHMMQPKGZJPG-UHFFFAOYSA-N 444.557 2.109 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCNC3CCCCC3)CC2)cc1 1641305899 LYVYRDLAENHDGT-UHFFFAOYSA-N 432.590 2.388 30 10 IEEE Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642899783 COSQXSQJUYSFJU-CIAFOILYSA-N 435.438 2.478 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 1643372193 AFVOILAEKAJWLK-UHFFFAOYSA-N 449.882 2.002 30 10 IEEE Cc1c(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc(Br)cc1S(N)(=O)=O 1644083540 HOZPXIUWICKQSF-OAHLLOKOSA-N 434.315 2.174 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)N(CCO)C[C@@H]2C)n(Cc2ccc(F)cc2)c1C 1646271351 DZIMHIXNBOLZJC-IRXDYDNUSA-N 441.551 2.489 30 10 IEEE O=C(CCC(=O)N1CCOc2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040885 JPAAPAGERJESCE-UHFFFAOYSA-N 437.452 2.096 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)cc1Cl 1653704001 SWLHVOBABBICAQ-CYBMUJFWSA-N 440.768 2.055 30 10 IEEE C[C@@]1(C#N)CN(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCO1 1654932754 OQNUVVFWQSEYJO-QGZVFWFLSA-N 431.846 2.017 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2)C1CCOCC1 1663234229 IOTLTTIRCPXUQQ-AWEZNQCLSA-N 427.320 2.041 30 10 IEEE C#CCN(C)CCCNS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1664192828 HVHSEMMFFXCTFP-UHFFFAOYSA-N 431.352 2.168 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1689876518 BTQQJPVAUSEVCJ-SFHVURJKSA-N 430.578 2.018 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C2CC2)CC1 1689908006 SSMNOTRRIMISGJ-ICSRJNTNSA-N 429.565 2.301 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)c2ccccc2)CC1 1689912794 AVQGTHLUHDPKAE-GOSISDBHSA-N 444.605 2.407 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1nncn1-c1ccccc1 1690022739 PXPMHCIFDAXNSD-UHFFFAOYSA-N 428.525 2.336 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCOCC2)CC1 1690115059 PWGAXTGWJZISLP-UHFFFAOYSA-N 428.968 2.076 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccsc2)CC1 1690170013 WOENWWUKEWEJOK-UHFFFAOYSA-N 427.603 2.429 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1690185700 DNVXKUOVBNNPEF-IAGOWNOFSA-N 442.651 2.434 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1690247375 AAKVRYGWLDMHFR-WIYYLYMNSA-N 446.573 2.094 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690327775 XNIBNLDOIHBREV-HNNXBMFYSA-N 431.928 2.419 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)CC1 1690364112 JUJCJKVLRBKVOR-ROUUACIJSA-N 444.605 2.496 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1705548639 OHSHIGQQRANAHL-IBGZPJMESA-N 425.533 2.143 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705570749 QOLMTXWJRWJLQV-HOTGVXAUSA-N 442.676 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(COC)CCOCC1 1705580792 OHMJMXATGWTBAH-UHFFFAOYSA-N 446.511 2.110 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSC(C)C)CC1 1705645257 PDBMXAPQJIXNJX-QFIPXVFZSA-N 449.621 2.038 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705789293 FZQVIUXPBAOJML-SFHVURJKSA-N 447.609 2.285 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1705799413 WDBKGSVUWKXHJR-UHFFFAOYSA-N 437.548 2.463 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3c(F)cccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1705893946 WLMJLFJDDSFGMB-JOCHJYFZSA-N 447.486 2.357 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)cc(OC)c2)C1 1705914481 BFUMVVJBYLGISQ-FUHWJXTLSA-N 449.577 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705929910 AJLPEMNWVLCXJN-PKOBYXMFSA-N 445.589 2.088 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1711175415 SUXPFBUOFNLRIB-UHFFFAOYSA-N 439.488 2.397 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1711417726 BVDSLYXPERMBNL-ZIAGYGMSSA-N 436.607 2.419 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1712242085 FFHHOQNVQVMABO-LJQANCHMSA-N 436.520 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1722291759 GQIXNAYSOBKQED-QGZVFWFLSA-N 449.559 2.466 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C 1722397801 UUCPMYHUDVPXDU-RTWAWAEBSA-N 445.633 2.154 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1722536800 HQKJFEABEASJPQ-HXUWFJFHSA-N 427.505 2.052 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cs1 1725452975 HGGRWVMZODXWLE-SFHVURJKSA-N 442.570 2.448 30 10 IEEE CCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1727470069 NEXYHQUOSDTCEV-LJQANCHMSA-N 426.481 2.435 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1731158384 PTXRBKNVJINQJO-LZICOFPGSA-N 428.537 2.466 30 10 IEEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(=O)N(C)C 1740643541 NXNQBEOXKQEKJT-UHFFFAOYSA-N 427.936 2.413 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCO[C@@H](C)c2ccccc2)CC1 1740689563 YFYNUDWCPGVNDX-FQEVSTJZSA-N 438.576 2.339 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740704017 IOAWMBFCNOAFCZ-BVZFJXPGSA-N 446.555 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740704021 IOAWMBFCNOAFCZ-IQGLISFBSA-N 446.555 2.334 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cscn2)CC1 1740721068 WENPDHMUWKENHO-UHFFFAOYSA-N 439.614 2.409 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCS(=O)(=O)C1 1740917239 LHVGBJHBSWAXEJ-GOSISDBHSA-N 431.562 2.044 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1740927112 RBRJKNBXTSDPSV-ICSRJNTNSA-N 440.596 2.044 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(C)(C)C)C1 1740955126 MRYHEICXVXISSB-IBGZPJMESA-N 441.532 2.270 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1748667523 VTHXNXGEFBYMEY-PKOBYXMFSA-N 428.581 2.111 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1748734571 GTDQKKMAJYKWBN-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)COC)CC1 1748744166 USATWXBYOJYBIP-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)CCC(F)(F)F 1748779381 HZSULQAQEQMBEH-UHFFFAOYSA-N 447.469 2.265 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748948880 ZRTREJBNWPBKRP-QGZVFWFLSA-N 426.569 2.162 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749398570 LCAYGSMMEPYGFT-GOSISDBHSA-N 436.516 2.318 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1749426537 FAFHENJRDQYMQJ-KRWDZBQOSA-N 431.562 2.179 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC2(CC1)OCCO2 1749450563 LRASODOIDFRURN-UHFFFAOYSA-N 433.553 2.229 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 1749452453 ZXTDHGVRYJICHC-UHFFFAOYSA-N 426.565 2.481 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1749676005 ANWAUNYWEWFZSD-UHFFFAOYSA-N 447.543 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1749739917 NHHIETHGWQBNRQ-PXNSSMCTSA-N 426.583 2.298 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccccn1 1749965108 AOISROBOQSDZRB-MRXNPFEDSA-N 449.515 2.175 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccn2)C1 1750377816 AGTDPDZQBKAXSU-FQEVSTJZSA-N 425.493 2.349 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@](C)(O)c1ccco1 1750646974 BKCVFWMSMOOFQD-ZHRRBRCNSA-N 436.520 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)C(C)(C)C 1760207615 PSLSQNZJNUUTKQ-UHFFFAOYSA-N 428.558 2.452 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1760230089 QESDZZYXVOLVSI-QHCPKHFHSA-N 427.549 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760271588 CXRRNTGDZMLTSP-HOYKHHGWSA-N 438.576 2.027 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1760447570 MWTAMEKDXZEUCP-GOSISDBHSA-N 449.939 2.151 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760494732 YXQQNFOSUGPFJG-SFHVURJKSA-N 429.546 2.001 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1nccs1 1760556563 ICQCNQLLEDTGJT-UHFFFAOYSA-N 438.604 2.328 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1761362785 ICLHGDGRVUPSLA-HZPDHXFCSA-N 434.541 2.361 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1766717000 JQRUCZKIFLFKEB-HNNXBMFYSA-N 429.550 2.494 30 10 IEEE CO[C@@H](C)c1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cs1 1767995955 GDWRUBAMVBQEJY-AWEZNQCLSA-N 429.550 2.466 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 1768281230 PBYPGCFDTDQSCN-LJQANCHMSA-N 428.562 2.382 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769194536 NMECMNPDXKNBKS-GOSISDBHSA-N 442.568 2.042 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1770110443 SNHFIRJXXAJQLV-HBMCJLEFSA-N 441.532 2.110 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCCCCCO)c1 1770745616 AXZZDMGDPXMFIJ-QFIPXVFZSA-N 443.573 2.384 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CCO1 1771538288 AMUFJJYNVUBSKJ-APWZRJJASA-N 435.937 2.107 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC[C@@H]2CCOC2)CCO1 1771539089 NGFGXFDBVNOILM-FXAWDEMLSA-N 445.495 2.168 30 10 IEEE N#Cc1c(C(F)(F)F)nsc1O[C@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1849724352 LRONBJQXOFSNGW-GXTWGEPZSA-N 436.415 2.424 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccn(C)n1 1850370190 ZABKFOCOWURTSN-FQEVSTJZSA-N 432.484 2.087 30 10 IEEE CN(C(=O)[C@H]1C[C@@H]1C(=O)N1CCc2ccccc21)c1snc(N2CCOCC2)c1C#N 1851334246 HOKBBQMGFXPBNW-HOTGVXAUSA-N 437.525 2.040 30 10 IEEE CC(C)[C@H](C(=O)OCC1CCN(c2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1851627351 PPSNNMABCNLMGI-OAQYLSRUSA-N 433.574 2.073 30 10 IEEE COc1cc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c2ccccc2n1 1851854380 LDWFWSPTXAJESB-UHFFFAOYSA-N 427.468 2.386 30 10 IEEE N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccccc2)c1NC(=O)[C@@H]1CCC(F)(F)C1 1852360500 YMZIMMVSXXIJRG-CYBMUJFWSA-N 425.399 2.118 30 10 IEEE Cc1cccc(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1C 1852375973 VPSPZTHKFLWWPP-INIZCTEOSA-N 439.541 2.484 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)C2=O)CC1 1853745742 BFOLIIJOOWUTPV-FQEVSTJZSA-N 431.558 2.135 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)C(C)(C)C2=O)cc1C#N 1857436493 XJTALLGSLDLTPJ-UHFFFAOYSA-N 431.436 2.212 30 10 IEEE CC(C)CC(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1858452715 KQPZNVQLNAZECK-UHFFFAOYSA-N 427.530 2.449 30 10 IEEE CN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccncc2)CC1 1870348328 TUOIRMJRNISWNS-UHFFFAOYSA-N 429.524 2.490 30 10 IEEE COC(=O)Cc1cc(CNCC(=O)OC(C)(C)C)c(C)c(B2OC(C)(C)C(C)(C)O2)c1 1887521093 PLPFSOVPNVVZPK-UHFFFAOYSA-N 433.354 2.441 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CN(c3ccc(OCC)cc3)C(=O)O2)cs1 1891288145 AMDDBNSEDPAHFE-HNNXBMFYSA-N 430.486 2.213 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(=O)O)C1 2224128954 AFXSEMOOJHMRBS-NRFANRHFSA-N 434.298 2.224 30 10 IEEE CC1(C)OB(c2cccnc2-n2cnc3c(I)ncnc32)OC1(C)C 2232287451 VWQOLXNAIAJPPJ-UHFFFAOYSA-N 449.061 2.114 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247919099 OQFDWXOHUJHXBK-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251309873 BXPMNNDWOMHIRA-MMQHEFTJSA-N 438.359 2.278 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256620762 MMVZJXOMRWFUSV-LRDDRELGSA-N 438.305 2.338 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267137084 KHTSMPUGMDZHMW-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267264734 VZJKBOJONHWFRU-GOSISDBHSA-N 446.353 2.352 30 10 IEEE Cc1c(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267495391 ZWHADVFBFKCQHZ-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267504186 OROQPCZKFPQLLR-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267515094 JLSWLFDZGUKJMN-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881139 XSKXVOGCGFHLDC-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H]2COC[C@@H]21 2269003285 PGXBSMLFVXKOJZ-IRXDYDNUSA-N 449.332 2.344 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 2315612002 UNUPNLUAQQGGEB-GOSISDBHSA-N 425.338 2.133 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CN=c3cc(B4OC(C)(C)C(C)(C)O4)c(F)c[nH]3)[C@H]2C1 2322308406 FDQMXWOOHOLIPS-QDMKHBRRSA-N 433.333 2.467 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337197558 YFOXVMZBFYSYDQ-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2352397147 GDVKMVJKEIXLHH-AWEZNQCLSA-N 446.357 2.294 30 10 IEEE O=C1N/C(=N/N=C2\NC(=O)[C@H](CC(=O)c3ccc(Br)cc3)S2)CS1 39886337 YVKAOVFGIGNSJA-JTQLQIEISA-N 427.305 2.379 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 103936567 RDPNQYVZZOCUQM-QFNVGMEYSA-N 448.501 2.059 30 10 IEEE COc1ccc(-c2nc3c(s2)[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC3)cc1 410125790 PSFBPEXMSJMAKX-DOTOQJQBSA-N 434.543 2.255 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C)C(=O)OC 435946767 BXDTYEIEPRITIL-ZJOUEHCJSA-N 427.501 2.427 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@@H]2CCCO2)n1 461063344 VJXHQPYAIQMTND-MSOLQXFVSA-N 445.531 2.204 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1 467826446 WGYSCCDVQVJFGD-OXQOHEQNSA-N 427.526 2.070 30 10 IEEE CSc1nc(O)c(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)cc1C#N 478557275 RDYMQYYNFZWMRO-CQSZACIVSA-N 447.314 2.457 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCNC(=O)c2ccc(Br)cc2)ccc1F 488943322 RLXBQMZWFZKNSA-UHFFFAOYSA-N 426.267 2.168 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cc1C#N 489524999 AJSFZIRRWVORDD-CQSZACIVSA-N 432.933 2.379 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 491030411 VMWMFKZMMKCJGM-GOSISDBHSA-N 432.528 2.430 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)CC2)n1 510933685 WJVKLMOSOMWTAZ-UHFFFAOYSA-N 441.923 2.071 30 10 IEEE COc1nc(N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)ncc1Br 513374984 GHQXGVLIQXCXPS-UHFFFAOYSA-N 428.294 2.089 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1ccccc1 525265791 NFBPXHDFKJAEBT-UHFFFAOYSA-N 429.501 2.489 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 532448146 PUVXDPUHKVYYNJ-CQSZACIVSA-N 430.551 2.031 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2ccccc2)c1=O 536736877 FRTYULAVUPSKME-UHFFFAOYSA-N 432.501 2.477 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 540601981 BDGPOHWABMMWIW-SPCJURDBSA-N 442.545 2.452 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCCCO3)CC2)n1 555467995 VXOQMPJQYLKCHX-OAQYLSRUSA-N 444.543 2.426 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(Cc3ccccc3)c2=O)n1 569421406 ALEBRJKZFPFYEA-UHFFFAOYSA-N 433.533 2.480 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 573142144 HOXKCWQPSNAJAG-HXUWFJFHSA-N 449.511 2.375 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N[C@@H](C)c2ccccc2)nc1C 586300767 AGMCYYSVJPUMDZ-GNDSEDMPSA-N 449.554 2.359 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@H](C(=O)OC)c3ccccc3)cc21 586314727 RQDKSCCAAPOFOO-JRPXNJEYSA-N 427.478 2.444 30 10 IEEE CCn1c(O)nnc1C1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 590174983 PCFZMNHZWRBOPA-UHFFFAOYSA-N 440.323 2.206 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 604483757 JQFJWZONKAYKCB-UHFFFAOYSA-N 435.571 2.104 30 10 IEEE COc1cc(CCNC(=O)CN2CCN(c3ncccc3C#N)CC2)ccc1OC(F)F 619510282 SWTMCHVKAAHOSW-UHFFFAOYSA-N 445.470 2.044 30 10 IEEE CCn1c(O)nnc1C1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 676354705 SFPCNYJDYFHGKU-UHFFFAOYSA-N 435.450 2.370 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726591682 FIRBRARJWKGGRK-KRWDZBQOSA-N 425.533 2.153 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CCN1C1CC1 732706580 REAZPSHVZQUJOA-IBGZPJMESA-N 448.479 2.132 30 10 IEEE COc1cc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1OCc1cccnc1 746123464 AFZUWIJQSGIJOV-GHVJWSGMSA-N 436.468 2.202 30 10 IEEE COc1ccc(CNC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)cc1C#N 746856978 CZKSVJDPTNXCKF-UHFFFAOYSA-N 438.303 2.215 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 757305494 PUQLDHZDKVZAJP-GXFFZTMASA-N 449.476 2.330 30 10 IEEE C[C@@H]1CN(c2ccc(NC(=O)CN3CCN(c4cccc(C#N)n4)CC3)cc2)C[C@@H](C)O1 760913840 WGDVUSITUZVIDU-RTBURBONSA-N 434.544 2.328 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 763623630 UCJXJVCLQYGNQH-QFIPXVFZSA-N 447.557 2.214 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774261411 IJIABRLSQXKIBT-OLMNPRSZSA-N 427.929 2.056 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2ccccc2I)cc1 780208979 GOIMSFFFPNHXHX-MRXNPFEDSA-N 436.205 2.378 30 10 IEEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)NCC2CCC2)CCCN1C(=O)OC(C)(C)C 790616409 MRBSGWFOUWGLCT-FQEVSTJZSA-N 429.583 2.168 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(CC#C)CCCN2C(=O)OC(C)(C)C)n1 809800279 NCVRBZVFQCJZDJ-QHCPKHFHSA-N 428.533 2.284 30 10 IEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(Cl)cc1 811948729 HWMSTZKPRUUVBX-SFHVURJKSA-N 434.949 2.273 30 10 IEEE COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 815689974 BJMULYNZAFMNLL-KRWDZBQOSA-N 428.489 2.411 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1 1084022250 WBOZTYFFCDNHJN-UHFFFAOYSA-N 431.453 2.022 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccn(C)n3)on2)cc1 1125203681 ZQWVEIBHOHBRQD-PTGBLXJZSA-N 428.474 2.140 30 10 IEEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CCCCC1 1136512489 AVRGMHDGUMHJSS-NEWSRXKRSA-N 438.590 2.451 30 10 IEEE COC(=O)CCCOc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1136726171 PTURNUUSGZSPQC-UHFFFAOYSA-N 430.482 2.444 30 10 IEEE N#Cc1csc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)n1 1157492980 UIBFPRMESMJCMP-UHFFFAOYSA-N 442.478 2.474 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](CO)c2cc(F)ccc2F)CC1 1176925664 CTKUXFUKVZSFSQ-RTWAWAEBSA-N 432.446 2.136 30 10 IEEE N#CC1(CNC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CCC1 1197439852 GAUVOCSHCLFNHS-UHFFFAOYSA-N 433.516 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1286288512 HJDKGFZZHJKJEA-ROUUACIJSA-N 448.575 2.078 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286346724 AIWNTOOEFCJOII-UHFFFAOYSA-N 445.527 2.048 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286351686 SMXLYNYQPMVFTB-GOSISDBHSA-N 445.589 2.057 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286354031 FWJVJVLGTDHEPH-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286390909 FRMCSVVLAKGWTE-HXUWFJFHSA-N 433.622 2.122 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286392100 KRHUWBLZQGCKNJ-AWEZNQCLSA-N 436.525 2.153 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1csc(COC)n1 1286401666 TUCMKSVADQXIQU-NRFANRHFSA-N 429.546 2.043 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCC(OC)CC1 1286460605 HDXWWFCFBUFBMP-UHFFFAOYSA-N 426.521 2.217 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)CCC)CC1 1286483783 YTJBHYIPRBXTIW-XMMPIXPASA-N 425.577 2.378 30 10 IEEE C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286585179 WTIRQHNKGFJZRV-OWCLPIDISA-N 439.582 2.104 30 10 IEEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286684371 HZGCJPKBRDZGQA-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C(C)C 1286788243 SKRZBCJDNDTVSG-KRWDZBQOSA-N 449.552 2.037 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 1286794086 WCJFMZBIVLBANY-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286832945 RKVUMHWKHARYOX-DLBZAZTESA-N 445.593 2.099 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1286833469 DXAUARKTKDMPRK-HXUWFJFHSA-N 428.606 2.342 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CCCC2)cc1 1290930511 HZNGHTCBWCUOKS-UHFFFAOYSA-N 438.553 2.366 30 10 IEEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(CC#N)CC2)CCC1 1296269709 CVLCBUCHKJBGNH-OALUTQOASA-N 444.580 2.439 30 10 IEEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1300183384 GGACUGMTINKRJX-UHFFFAOYSA-N 431.500 2.474 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1300272887 OASPBLXPNNWYIZ-NLWGTHIKSA-N 444.605 2.011 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300495925 KUXKCSVSDJSEIU-GOSISDBHSA-N 447.580 2.357 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCCCC2)CC1 1300725054 FLJCZHSCAZFXSZ-NRFANRHFSA-N 442.608 2.014 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)cc1F 1300733040 HHCBKLZMUCVFIH-CYBMUJFWSA-N 443.545 2.169 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2cc(C)nc21 1301425080 CDZBIUWRRSHPLU-SFHVURJKSA-N 427.553 2.122 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1 1301518637 MKGQUIHWPCGDLH-FDDCHVKYSA-N 438.576 2.188 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCCOC(F)(F)F)cc1 1303000203 LHQHRAABGAPNAF-IYBDPMFKSA-N 439.394 2.217 30 10 IEEE C[C@@H]1CCC[C@H](N(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1304987722 GSOQAXCBILJOIS-GITQUMRASA-N 428.537 2.323 30 10 IEEE N#Cc1cc(F)c(N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1Br 1307224855 PZGRQEGHFIPIPA-CSJGVYOVSA-N 430.299 2.083 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1cc(Cl)ccc1OCC#N 1307939647 WDSRFASTZAKGCF-HXUWFJFHSA-N 425.913 2.330 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2ccsc2C#N)CC1 1313123298 TVHCYUXIYZYRSW-UHFFFAOYSA-N 437.566 2.383 30 10 IEEE CCN(C)Cc1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1313571754 GFHWUQIXDZSHEH-SFHVURJKSA-N 445.575 2.463 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c1 1313985729 BIIFCKKWUMUPGI-FDDCHVKYSA-N 435.532 2.157 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1335739131 HZHWLYFRHMHHGD-HNNXBMFYSA-N 440.367 2.412 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1C 1348610650 GMLCUIAQNXVUGC-AWEZNQCLSA-N 446.916 2.420 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)c1 1351039207 QINSHRUICSDLCA-UHFFFAOYSA-N 432.448 2.498 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1354930694 OVSPICVMWFQVPO-UHFFFAOYSA-N 428.470 2.230 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1358872710 XTYHYENBGNOTBC-QWHCGFSZSA-N 434.547 2.111 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1358930637 ZHWZFNNCZBTJKK-SFHVURJKSA-N 435.594 2.185 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1359254281 KWGUTHQIUOUTQN-UHFFFAOYSA-N 440.548 2.194 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)ccc1OC 1439728773 YSHTXAUKQZRNBK-UHFFFAOYSA-N 436.530 2.204 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 1447707320 FWKDIFJHIQQAPY-OAQYLSRUSA-N 442.560 2.278 30 10 IEEE C=C(CC)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1451457679 UHDRQPAGAVCZST-OAHLLOKOSA-N 431.352 2.065 30 10 IEEE Cc1csc(C[C@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1455894035 YYKMHAUSMMHHCZ-OAHLLOKOSA-N 432.571 2.361 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc3c(F)cccc3n2C)s1 1464859148 VIYHFRQLCFRGDP-UHFFFAOYSA-N 436.534 2.140 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCOc2ncccc2C(F)(F)F)c1 1466182594 ZGAXFVBGQUBBGH-UHFFFAOYSA-N 431.367 2.346 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)nn2)C1 1466609973 XICVNKHICZYCLV-IBGZPJMESA-N 438.488 2.155 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)CCS2(=O)=O 1469469759 BMTPITFLPXUVCA-UISNHOIMSA-N 433.530 2.230 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C(=O)OC)C2CCCCC2)s1 1470943858 VWINVFRKTXPIGB-INIZCTEOSA-N 428.576 2.241 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)C1 1471833410 XQNZDOFZBUOKQL-LJQANCHMSA-N 441.553 2.348 30 10 IEEE CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](F)(C#N)C1 1503263396 CXSKRVYWZSSIHT-HXUWFJFHSA-N 430.509 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NC(C)C 1507531342 DEXIGMJVZLRNLW-INIZCTEOSA-N 432.569 2.375 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(Cc2ccccc2)CC1 1507618371 MJBKGOBWVHSGKF-UHFFFAOYSA-N 446.603 2.027 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2cc(C)on2)n1 1507716343 JVVIETBLSOZDPI-HXUWFJFHSA-N 439.520 2.347 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1507740484 AKYIANOBARWQGS-ZCNNSNEGSA-N 429.565 2.157 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507745521 ZNWHOLRBROHQDY-IUODEOHRSA-N 449.378 2.117 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1507793662 FHLDCQUWKLJKBP-MJGOQNOKSA-N 433.578 2.220 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507913423 YOOAQPLVYWXKLR-OAHLLOKOSA-N 442.951 2.348 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1507954980 SZXSZZMISWGPPU-ROUUACIJSA-N 433.582 2.196 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507964674 DXQOCMJETZNZKJ-HSZRJFAPSA-N 443.596 2.033 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1508012663 HTNPKGNJGSRYDA-WOJBJXKFSA-N 446.596 2.369 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](CCC)C1 1508074317 RVNUJEVYDMLGQN-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc([C@@H](C)O)cc2)C1 1508107193 BDMCKWSNYIYLNV-XLIONFOSSA-N 425.533 2.397 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC(F)F)C1 1508126255 HDKXJSFYFXSMCH-IIDMSEBBSA-N 441.523 2.359 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1509951224 XCEICMODICNCEQ-SJORKVTESA-N 436.557 2.487 30 10 IEEE CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1512338661 SWBYGEDXKATCKQ-FQEVSTJZSA-N 448.637 2.432 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cc(C)nn1C 1513024702 FKTDCPGLNCGCKF-DOTOQJQBSA-N 434.552 2.259 30 10 IEEE CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1513284925 GXNVSLAFUAPXMH-JXFKEZNVSA-N 425.585 2.330 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)C1CCCCC1 1513923122 FLZQIBOOWBILLZ-UHFFFAOYSA-N 436.564 2.225 30 10 IEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1516988993 AKOJBNZUPCSXJV-AVRDEDQJSA-N 443.502 2.284 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1517350370 DJWAXMRLBUNDLL-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc(-c3cnccn3)n2CCOCC(F)F)CC1 1521110418 NPNJQIAWKMXVPK-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE C=CCCn1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)nn1 1526022369 JYEIFAYMJKDOID-UHFFFAOYSA-N 431.562 2.346 30 10 IEEE O=C(C1CCS(=O)(=O)CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538727210 RPZFIVZVQCLQGN-DTORHVGOSA-N 429.329 2.441 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCC1 1539295515 BVKYDHFQEQHOEY-LJQANCHMSA-N 439.585 2.473 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1539538763 MUPNIVRVXMSIIJ-GHTZIAJQSA-N 436.626 2.002 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540004758 FWGLYIDZVRXZSK-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1540164401 NUPBFUNSFQNDNF-UHFFFAOYSA-N 428.537 2.295 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1542224956 XMBJBVZDGMJNOG-JKSUJKDBSA-N 433.582 2.049 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1547746119 IFSMRBOKYBLTQI-IBGZPJMESA-N 449.559 2.432 30 10 IEEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552422389 KUJKQUDQCFNAMI-YTTGMZPUSA-N 447.524 2.120 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1555507581 TUHYWGBDKRIIID-UHFFFAOYSA-N 436.520 2.015 30 10 IEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCCO2)CC1 1555991054 ORWSZHXBSSYYEW-GOSISDBHSA-N 439.520 2.251 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)CC1 1556346681 HASLHQJORSJPPP-VAMGGRTRSA-N 447.576 2.169 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 1557146868 GKDFIAAWHOPTSY-KRWDZBQOSA-N 429.542 2.416 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(COCCOC)cc1 1587550896 VKKUKHCKIMEOJM-GOSISDBHSA-N 425.533 2.183 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588055725 YQKNIFXOEHCTOG-MRXNPFEDSA-N 430.521 2.234 30 10 IEEE N#Cc1cccc([C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)C(F)(F)F)c1 1588106167 NZTRDCHRDNWHDW-RDJZCZTQSA-N 436.365 2.091 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCS(C)(=O)=O)CC1 1594036846 YJRHIOVNLUAVDO-UHFFFAOYSA-N 435.506 2.071 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1594858297 YGBTZICMZMNXGH-XJKSGUPXSA-N 442.536 2.092 30 10 IEEE Cc1ccc2[nH]c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2c1Br 1607497574 IOMUPSOUVJCUQC-UHFFFAOYSA-N 428.246 2.070 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCSc1ccccc1 1611686394 GDMHUGYSIQWOHZ-KBXCAEBGSA-N 438.554 2.123 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOCC1CCOCC1 1612597004 NDMSOFCHVWECCR-UHFFFAOYSA-N 425.537 2.013 30 10 IEEE N#Cc1cn(CC(=O)N2CCc3[nH]c4ccccc4c3C2)nc1I 1614559087 YJJJOGKZUGKVBO-UHFFFAOYSA-N 431.237 2.426 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(O)CCOCC2)c1 1619130438 BQMGLDLWAMHRIS-NRFANRHFSA-N 445.495 2.336 30 10 IEEE COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCC(=O)NCc1cccc(C#N)c1 1620557656 QZCYXCZBTBQGBD-GOSISDBHSA-N 435.402 2.447 30 10 IEEE C[C@](CO)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cc(Cl)cc(Cl)c1 1624099280 FLUMUHPKFOYITM-GOSISDBHSA-N 442.324 2.056 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)C3(C#N)CCSCC3)C2)C(=O)C1 1625562553 IJGPYOBHYWEVBK-MRXNPFEDSA-N 436.578 2.094 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 1629485303 LSKYKPREJFUBME-UHFFFAOYSA-N 448.888 2.195 30 10 IEEE Cc1cc(C)nc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 1632536568 XOXNDXXNFWTTAZ-UHFFFAOYSA-N 427.549 2.393 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCC1(O)CCOCC1 1635145036 OFIQCBJUONPUNR-LJQANCHMSA-N 429.517 2.440 30 10 IEEE COCCN(C)CCN1C[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1=O 1637138655 HGXVMBDTVDBQFF-JOCHJYFZSA-N 435.528 2.211 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](CC(C)C)OC)nnc12 1638805898 KOMHGDIEIIHWLW-HNNXBMFYSA-N 429.546 2.500 30 10 IEEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1639000072 PUWLALLBZKMXBI-CQSZACIVSA-N 438.502 2.024 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cn1cnc2ccc(Br)cc2c1=O 1639961637 GIATZSNGIDYQNF-SFHVURJKSA-N 441.285 2.223 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1)c1cc[nH]n1 1641395563 YPWPDOLDZUDCAN-KRWDZBQOSA-N 428.489 2.290 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1645090475 BUZPQRGTERPREH-HXSAITOGSA-N 435.521 2.000 30 10 IEEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)c2C1 1651184722 ISCDNHAVXLMFRQ-INIZCTEOSA-N 430.358 2.280 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC#Cc2ccc(OC(F)(F)F)cc2)c1=O 1652998918 XRNGXZVRMDNPDB-UHFFFAOYSA-N 449.385 2.174 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](CO)[C@H]2CCCOC2)cc1 1654728772 CWUXMVUQDICPLO-LAUBAEHRSA-N 426.517 2.290 30 10 IEEE CNS(=O)(=O)C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 1655230863 YMLAZVWJWRRSEM-HUUCEWRRSA-N 438.619 2.334 30 10 IEEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 1656269049 GUQRHVWTIOKSHU-UHFFFAOYSA-N 428.798 2.006 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2c(Cl)ccc3cccnc23)c1=O 1656778676 JPJJRMFIUNYRCW-UHFFFAOYSA-N 426.860 2.473 30 10 IEEE COC[C@H](NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C1CCOCC1 1674355066 PQPWZELZXYQESE-NRFANRHFSA-N 440.548 2.308 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(CCC#N)CC2)CC2(CCOCC2)C1 1687576380 HVGOUNSDMWIUPK-GOSISDBHSA-N 435.569 2.033 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@@H]2C)c1 1689870317 JVWOWRDLYZSLJD-PKOBYXMFSA-N 445.527 2.464 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1689893090 UCOAPVQZENZXOY-HOTGVXAUSA-N 447.527 2.057 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1nc2cccc(Cl)c2n1C)[C@@H]1CCS(=O)(=O)C1 1689993216 XXZDFQYQAQYAEY-CQSZACIVSA-N 446.964 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@H](C(F)F)N1CCOCC1 1690024258 YKAFFKFWMOGTNK-GOSISDBHSA-N 448.543 2.063 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC[C@@H]2C)n1 1690109375 PFRSDILXVBBKEY-OALUTQOASA-N 437.548 2.429 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690183931 AUTRJCVEESMINN-QGZVFWFLSA-N 427.530 2.173 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1690300793 KSKYLJOUHGNXMS-IRXDYDNUSA-N 444.511 2.364 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](COCc2ccccc2)C1 1690671048 OEJIMGPZJJZZPR-PMACEKPBSA-N 425.533 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690720190 ALANRSGRVCKJQC-KRWDZBQOSA-N 431.562 2.072 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690738409 LXZMQPJKZFBFHL-UHFFFAOYSA-N 438.561 2.385 30 10 IEEE CC(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1692618066 BWJMCPBPLPUBAD-ZCNNSNEGSA-N 443.573 2.349 30 10 IEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 1694484659 CCGNJORJFYPNMG-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1695645083 CSYJZGQRFYQMBD-UHFFFAOYSA-N 449.563 2.216 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CCN1CCOC[C@H]1C 1697605721 BRCGQJOGXXAMKB-QZTJIDSGSA-N 428.537 2.182 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1698169098 FTXBGAQOCGPNSQ-NRSPTQNISA-N 442.564 2.342 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1698493808 ASVALUUGUPBJQL-INIZCTEOSA-N 427.534 2.049 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1705551725 CWCXSKCAJNGQMI-IAGOWNOFSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705565149 SPWXQRAHGRUTJB-AWEZNQCLSA-N 443.495 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccccc1Cl 1705587927 OROKFOUXHLRWOD-JOCHJYFZSA-N 427.936 2.440 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705638708 UMBFCFCDFHEBPD-HXUWFJFHSA-N 438.551 2.174 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1705651821 IKIXAQAVZUNSDR-QGZVFWFLSA-N 442.589 2.332 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccn2)CC1 1705663085 VXSARMFRQGCAEF-UHFFFAOYSA-N 440.602 2.117 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)F 1705671336 GDCOGIRMJUTBOS-OAQYLSRUSA-N 433.459 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@H](C)C1 1705704530 VZDDWXOXLDROFR-DYXWJJEUSA-N 428.581 2.422 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1705707452 LIANTMLSLWXOMA-ZFMNYDKASA-N 447.580 2.088 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1705843253 ATKFEVKUEXAFHV-FXAWDEMLSA-N 429.590 2.249 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705907930 CEJOGUQZZIPARP-LUKYLMHMSA-N 432.569 2.443 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC)C1 1705924147 BLLFAWJHQZCPKT-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705932719 IZBVQTZQMUSOGV-GOSISDBHSA-N 431.562 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2CCOC2)CC1 1705936097 JXAHTSWFRDMARV-OALUTQOASA-N 438.594 2.026 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)OC 1708808357 GVFMYEXARYAGDS-PMACEKPBSA-N 440.548 2.458 30 10 IEEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1709284656 SEUCVRPIIGMGGP-WMZOPIPTSA-N 437.504 2.096 30 10 IEEE Cn1ncc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)n1 1711282381 GIBWZBVCQNHZGA-UHFFFAOYSA-N 447.547 2.060 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712779539 TZUTXWUAKABGIV-RHSMWYFYSA-N 435.575 2.415 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@@H]1NC(=O)NC1=O 1722294517 XDFKIHWWKMECSI-ZBFHGGJFSA-N 433.472 2.046 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(=O)NCC)cc1 1722417528 KLKIFVZLGWMUIU-PMACEKPBSA-N 425.533 2.260 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1722435071 FQZZLAFGPLICEB-HSZRJFAPSA-N 445.571 2.407 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(SC)c2)CC1 1722440177 FNCLOWLHSUBITC-UHFFFAOYSA-N 436.589 2.060 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2OCCC2(C)C)CC1 1722448797 IMDNHAIKTXYZCH-FQEVSTJZSA-N 436.560 2.045 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1722614251 HOAOGARNEWTXQO-UHFFFAOYSA-N 437.548 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CC)C1 1722736866 LAJRJVPCQNJJGF-SQNIBIBYSA-N 426.583 2.229 30 10 IEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1722775487 KVJLDBIEGAJLTE-UWJYYQICSA-N 439.564 2.293 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1728707557 PMFAEPSUSZQWKM-KZNAEPCWSA-N 434.541 2.062 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNC(=O)c1cc[nH]n1 1740632602 UNZPTJHTZRYRQN-IBGZPJMESA-N 445.527 2.261 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CC(OC(C)(C)C)C1 1740640825 XIRLLPCRDMIRJB-XBMUEBEBSA-N 432.590 2.237 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CC(F)(F)F 1740664444 QLLVVRDUXARASV-UHFFFAOYSA-N 443.495 2.302 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740786929 TWAZSDIEMGJCQF-HOTGVXAUSA-N 445.486 2.473 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740842685 ITVBHVYANLZGNG-SFHVURJKSA-N 429.569 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740955877 CVYSFTYDJONFIO-IBGZPJMESA-N 436.560 2.305 30 10 IEEE CC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1743463087 WQJDPBBHXVUDMV-OAQYLSRUSA-N 439.545 2.330 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1747992154 IULGMPCDUBYJGP-GOSISDBHSA-N 429.546 2.114 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](COC)OC)c1 1748692179 DFBRDWWWLJTSHR-HXUWFJFHSA-N 448.527 2.366 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN(CC)CC 1748772456 VYDXYZJBTFGMCD-UHFFFAOYSA-N 431.610 2.348 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748821212 NGCDWJCXYASNSG-ROUUACIJSA-N 447.630 2.222 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C(C)C)C(C)C)CC1 1748978254 JEAMSJXSNVESGB-XMMPIXPASA-N 446.640 2.193 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2c(C)nn(-c3ccccc3)c2C)CC1 1749000332 SCICFGXPIIEDBI-UHFFFAOYSA-N 433.560 2.421 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749109510 OBMDJWSNHSWKIN-UONOGXRCSA-N 437.298 2.162 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749133677 OXNPSORVPSUKFB-DBQGFPOUSA-N 427.549 2.485 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1749291498 GJMDYYZOPXEXDP-HXUWFJFHSA-N 426.583 2.300 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H](C)O1 1752387965 KRJRVZIBPKAMRQ-OALUTQOASA-N 440.548 2.065 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760157627 WFQVQONOXPDDCY-KRWDZBQOSA-N 428.562 2.036 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1760184510 JCXPORDRKDXXJH-LJQANCHMSA-N 441.557 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCS(=O)(=O)C1 1760195824 LIOQNYLZIMIWEE-SFHVURJKSA-N 448.552 2.233 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(c2ncccc2F)CC1 1760280774 UALQRQMRNYKTBO-UHFFFAOYSA-N 438.536 2.352 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1760291748 AWZWTZBRDGEOJN-HXUWFJFHSA-N 449.433 2.387 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760356400 MPNGIEFVRPILOK-IAGOWNOFSA-N 445.593 2.162 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1760358113 RMZVRFJJEYVEKH-LJQANCHMSA-N 430.553 2.383 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760516089 JGPKXTDIMRZJSA-KZNAEPCWSA-N 425.489 2.236 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760534016 YQOIHKROXNVLFD-WDSOQIARSA-N 441.532 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC)CC2)C1 1760549891 OHZADQCMDGUCKJ-FQEVSTJZSA-N 430.597 2.304 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760559903 VESPPLDTQBEVKQ-KKSFZXQISA-N 437.610 2.500 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1760566138 MHNPDNUWPOFCHJ-QGZVFWFLSA-N 441.667 2.410 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCC(C)C)CC1 1760618112 FWLQSWNEBIRFIK-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1761363449 GMYYBCPBDGDYIZ-BFQBXFRASA-N 433.516 2.328 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)C1 1769195948 NGRVSDFAMUDTIT-QGZVFWFLSA-N 432.475 2.451 30 10 IEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccco1 1770361032 VFZDKIHKWGQUQI-QGZVFWFLSA-N 426.502 2.300 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1770685685 MUIKBTWTDLMIAG-UHFFFAOYSA-N 445.483 2.061 30 10 IEEE Cc1c(C(=O)ON2C(=O)c3ccccc3C2=O)nnn1[C@H]1CCN(C(=O)OC(C)(C)C)C1 1772788524 AGTRWDJPGGDBIQ-ZDUSSCGKSA-N 441.444 2.136 30 10 IEEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792094 GQWGJPHFBDTSLZ-KRWDZBQOSA-N 428.466 2.058 30 10 IEEE Cn1ccnc(N2CCC[C@H](NC(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)C2)c1=O 1851420150 QVJHOPLYCIVJSR-OALUTQOASA-N 428.496 2.230 30 10 IEEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)O[C@@H]2COCC2(F)F)cc1 1851621212 XGIHXVLPIIWTTK-QZTJIDSGSA-N 436.436 2.025 30 10 IEEE N#Cc1cnn(-c2ncccc2C(F)(F)F)c1NC(=O)Cn1cnc(C2CC2)cc1=O 1851914316 SBYXHZMPZARKRV-UHFFFAOYSA-N 429.362 2.231 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)c1 1852446398 HHLBZSMZBYPKII-NHCUHLMSSA-N 438.528 2.012 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3)CO2)nc1 1852450300 KLUTXGINUDYSHX-SJLPKXTDSA-N 426.860 2.319 30 10 IEEE N#Cc1cccnc1C1CCN(C(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)CC1 1852772124 HPAUAWVKBRJFIR-UHFFFAOYSA-N 438.553 2.203 30 10 IEEE CC(C)N1CCN(C(=O)c2ccccc2C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1 1853364261 RXCWVOMHEVZZOF-LJQANCHMSA-N 449.511 2.097 30 10 IEEE NC(=NOCCC(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2C1)c1ccc(F)cc1 1853407479 QGBGIMVQWXBMIW-NRFANRHFSA-N 438.503 2.429 30 10 IEEE C[C@@]1(N(Cc2cn(Cc3ccccc3)nn2)C(=O)c2ccc(C#N)cc2)CCS(=O)(=O)C1 1853447007 DBKYLWWARGJQQJ-HSZRJFAPSA-N 449.536 2.418 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccnn1C 1854569824 QHFAWERUENIJJX-MRXNPFEDSA-N 428.514 2.269 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CCn1ccnc1 1854618231 RQAPPPWWYUASDQ-UHFFFAOYSA-N 428.514 2.142 30 10 IEEE CCOc1ccc2ccccc2c1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856092256 KALYIFUTFZOLQA-UHFFFAOYSA-N 429.498 2.155 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(Cl)ccc2OC)C1)[C@H]1CCN(C)C1=O 1857056176 KUUUJYWVBGILLM-YJBOKZPZSA-N 433.936 2.446 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112045 PLVWKINZOCRPOP-KRWDZBQOSA-N 426.860 2.120 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(C)nn2CC 1864319240 PTBADXXRAHIVST-IBGZPJMESA-N 425.533 2.149 30 10 IEEE CCCN1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868774660 MSUWGGJZXVATFL-IBGZPJMESA-N 445.633 2.474 30 10 IEEE O=C(O)c1ccccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCCO 1874298595 JCGHERFZQVABNJ-UDWIEESQSA-N 427.442 2.442 30 10 IEEE Cc1ncc(CCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)s1 1890032178 ZGATXHCZVZNVEV-UHFFFAOYSA-N 432.634 2.421 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1C#N 1891060951 ZNNYBYUYWKMNOJ-UHFFFAOYSA-N 442.458 2.492 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2010229939 ULJAIZWZYFJAGZ-IXDOHACOSA-N 439.553 2.027 30 10 IEEE O=C(COC(=O)[C@@H]1CCCN1C=CC(=O)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F 2055815382 DHLWFLJSSZEUTQ-ZDUSSCGKSA-N 433.314 2.325 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778967 WIFYVXUXUYHSPE-LBPRGKRZSA-N 447.204 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254793579 VKFXYWDGXVVNDG-UHFFFAOYSA-N 433.358 2.412 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)C1 2255154067 RCSCLNDWBDRVHL-ISISGCMPSA-N 441.572 2.389 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626894 LRVAQHJQSHWEHH-KBPBESRZSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]12 2256620399 HYSLBAUUVKGOLF-ZNLKAECVSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256625179 SOCPDDLODJXULS-UHFFFAOYSA-N 438.305 2.293 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256926310 ACRKEFZNUQIDQO-PBHICJAKSA-N 429.278 2.367 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267012013 NZAYPPZYLKVXKT-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1cnc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267112569 IVQNJFSHOUWUQR-UHFFFAOYSA-N 449.332 2.378 30 10 IEEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267140756 FJFKGFQEURBGNA-CABCVRRESA-N 448.373 2.332 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267505305 GJHBPHKMRJWBKY-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303625186 ZORGKLPJNOEKKV-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2315397599 CVLOKPYOQUMSGT-KRWDZBQOSA-N 433.358 2.419 30 10 IEEE COc1cc(C=Nn2cnnc2SCC(=O)Nc2nccs2)cc(OC)c1OC 2321270481 GAGQJFMCTDHEFA-UHFFFAOYSA-N 434.503 2.373 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322254092 IFZOHVNILBUXJR-BBRMVZONSA-N 438.305 2.438 30 10 IEEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322262181 KLIKUVMKPYQAIM-HZPDHXFCSA-N 437.321 2.106 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC1CCCCC1 7418766 CBYQCAIIWBJEFX-QHCPKHFHSA-N 425.485 2.144 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 23640734 ATIFXNDSJLILJP-UHFFFAOYSA-N 437.974 2.271 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(C(=O)N2CCCC2)CC1 25754667 POXGDGRKHNVEQO-UHFFFAOYSA-N 429.565 2.286 30 10 IEEE COc1ccc(CNC(=O)[C@H](C)OC(=O)CO/N=C(/C)c2ccc3c(c2)OCO3)cc1 59474639 ZFRCBDPHPIWDKL-YNNOXIHVSA-N 428.441 2.413 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cc(C(=O)O)ccc2I)cc1C#N 391806994 HDBJUYKFRGOPOM-UHFFFAOYSA-N 443.222 2.365 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 410020904 MUIHPJIWKYDZTC-RDJZCZTQSA-N 433.559 2.445 30 10 IEEE CC(C)(C)C(=O)N1CCC(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 480510585 IJIGEDPHGPUGBH-UHFFFAOYSA-N 432.590 2.149 30 10 IEEE COc1ccccc1C[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481237690 YVLYWHPTAILYQW-QFBILLFUSA-N 427.526 2.467 30 10 IEEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F 483775021 PTRPAUSZVUUKBI-GHMZBOCLSA-N 439.353 2.393 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c1 488017167 XFRLMKSERQTBIG-IBGZPJMESA-N 431.489 2.168 30 10 IEEE N#Cc1c(CCCNC(=O)c2cnc(OCC3CC3)cn2)nn(-c2ccc(F)cc2)c1N 505402334 IPVDXLBOBYKOCN-UHFFFAOYSA-N 435.463 2.407 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1CCCN(CC#N)C1 507547954 HWIHTXODGGCENP-ZDUSSCGKSA-N 428.352 2.126 30 10 IEEE CN1C(=O)N(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C(=O)C12CCCCC2 508426489 OQTLYYSHXYNYEJ-UHFFFAOYSA-N 439.516 2.356 30 10 IEEE C=CCn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 508914843 VCEUAEJHYBZEBS-GOSISDBHSA-N 449.559 2.162 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 509009927 GDBDWWIQYQZUEZ-FCHUYYIVSA-N 444.539 2.489 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cc1F 523652465 YOTBNRCRKNTFEO-MRXNPFEDSA-N 442.512 2.109 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 549914317 HHDNZZXHEAJQCD-FPOVZHCZSA-N 434.606 2.231 30 10 IEEE CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)[C@@H]1n1cccn1 575434629 KLHJBJFGOTVRKK-FMKPAKJESA-N 425.308 2.214 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 582515242 GPOMMJUNKQXQGT-QGZVFWFLSA-N 426.912 2.481 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCCC[C@@H]2CCO)CC1 585754820 BVMVPQAHVARIOA-QGZVFWFLSA-N 427.505 2.082 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2n[nH]c3ccc(Cl)cc23)CC1 585762801 HWTIBPYGVSQHCS-UHFFFAOYSA-N 429.889 2.235 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CNc2ccc(-n3cnnn3)c(OCC)c2)nc1C 586323082 VGQFWJSBPYZEHW-UHFFFAOYSA-N 443.489 2.219 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](C(=O)N2CCCC2)C1 609553250 KXWMRDWANZQKFP-IBGZPJMESA-N 429.565 2.286 30 10 IEEE N#Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 618716205 NTQQSPNYZWCDLG-FQEVSTJZSA-N 431.539 2.309 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 619819500 STDWMRXRRVAAQS-UHFFFAOYSA-N 436.541 2.383 30 10 IEEE C=CCOCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 679516288 YZAZJGWUWBENHQ-GFCCVEGCSA-N 437.381 2.373 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCN(c3ncccc3C#N)CC2)cs1 732753415 ROHHGAVLAATICD-UHFFFAOYSA-N 428.518 2.397 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1CC(=O)Nc2ccccc21 733611288 GYFGCOOSAHLBHE-MRXNPFEDSA-N 436.468 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 758574688 BPTJPBYPDVGDIJ-OFQRWUPVSA-N 434.928 2.372 30 10 IEEE C=CC[C@@]1(C(=O)OCc2nnnn2CC2CCOCC2)CCCN1C(=O)OC(C)(C)C 768892931 LQAGNFDBXVPJQA-NRFANRHFSA-N 435.525 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C2CC2)C1 772334631 HAJFLEDEIYKZPB-IBGZPJMESA-N 447.557 2.473 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c2=O)s1 772899773 XZEFUHIDUCUWDT-UHFFFAOYSA-N 432.615 2.248 30 10 IEEE Cc1ncc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)n1 777303870 HWDIUJLRSVMDRV-GOSISDBHSA-N 441.513 2.229 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cc1 777899604 UCNSXDMVUHXQPO-HSZRJFAPSA-N 425.554 2.383 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 780032994 QXPSAITYENPXTG-LOJRPPCJSA-N 438.509 2.255 30 10 IEEE C#CCN(C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 780772709 GBAJHPFJBQHJJR-IBGZPJMESA-N 447.557 2.269 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccnc(OC(F)F)c2)cn1 790016661 NSZPWTRFYOIPAI-CYBMUJFWSA-N 438.460 2.167 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790864939 UBFCZARIQCYSBC-ZDUSSCGKSA-N 434.440 2.260 30 10 IEEE Cn1ncc(C(=O)COC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 791466005 WMENGDNYMCNEPT-UHFFFAOYSA-N 435.465 2.457 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC2)n1 795924215 HWYIXPKRLIFDLS-UHFFFAOYSA-N 425.829 2.165 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 800352703 JSLVVMPKHWPMRB-GOSISDBHSA-N 426.542 2.151 30 10 IEEE C#CCC(CC#C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 807393020 SQRQXRRLEFTPHM-KRWDZBQOSA-N 437.359 2.381 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccccc3C#N)CC2)cc1 915996389 AAEZLYVYLVJNAX-UHFFFAOYSA-N 428.539 2.464 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1nc(NCc2ccco2)ncc1Cl 916775904 JJCDIKYTFXVDJB-UHFFFAOYSA-N 431.861 2.467 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 918547319 OCXFQFLCZWLMHK-JOJWKMGHSA-N 436.534 2.306 30 10 IEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccccc3)n2N)cc(OC)c1 1084068962 XPQSROGFPLQVQB-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE COc1ccc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cc1 1084082914 BMJRPMXAJFLQIC-UHFFFAOYSA-N 430.494 2.174 30 10 IEEE COc1cc(NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c(F)cc1C#N 1131493068 MPDSDTMWTNCGQX-WMHRWZGDSA-N 436.443 2.448 30 10 IEEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1136616861 ITDASHNDVZNXGC-PBHICJAKSA-N 438.550 2.359 30 10 IEEE C#CC[C@H](NC(=O)[C@@H](CCC)NC(=O)NCc1ccc(Br)cc1)C(=O)OC 1141995049 GYRKJJSCBSLSPL-CVEARBPZSA-N 438.322 2.098 30 10 IEEE CCOC(=O)c1cnn(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)c1 1158599115 FWJPMBLZLLYVBJ-QGZVFWFLSA-N 435.484 2.148 30 10 IEEE COC1(OC)CC2(CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)[C@@H]2c2ccccc2)C1 1163814060 WTHDFODZGJHYBY-GOBJLOIFSA-N 425.485 2.256 30 10 IEEE C#CCN1CCC(NC(=O)NCCOc2ccc(I)cc2)CC1 1227067800 OTRSYBPESGEUAU-UHFFFAOYSA-N 427.286 2.067 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286342126 MNCZWZFRBWJMMU-QGZVFWFLSA-N 429.496 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCS(C)(=O)=O 1286418617 DSKZLBXZYYTDBX-UHFFFAOYSA-N 441.557 2.045 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1Cc1nnc2n1CCC2 1286434580 PMLUSWWLJVLVPO-UHFFFAOYSA-N 429.528 2.468 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)CCC)CC1 1286473069 OEGIYFFMHBLXNE-LJQANCHMSA-N 435.370 2.342 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286606240 KJQOGLLJDXAVDT-NQIIRXRSSA-N 430.597 2.127 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286622198 MXKCYGLTESEYEU-HNNXBMFYSA-N 428.965 2.385 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCC[C@@H]2CO)CC1 1286639071 XADUGXUVGBOUJI-NFBKMPQASA-N 433.597 2.324 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1286709977 JQLXIUXECHBFMP-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286712078 SBAIRUPCSKGKHF-WMZOPIPTSA-N 448.593 2.020 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1286717428 XVONGKIZJCRFMK-HXUWFJFHSA-N 431.928 2.491 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)C1 1286807274 ADYLQMJAHLZBNB-LJQANCHMSA-N 433.516 2.223 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1286967261 CNMMANQAUJYZAM-IRXDYDNUSA-N 448.568 2.442 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1296991121 GIRPSDCXDXRSQZ-LJQANCHMSA-N 436.520 2.403 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)n[nH]2)c1C 1297726831 BZCPFRGFINACEI-KRWDZBQOSA-N 425.537 2.486 30 10 IEEE CCSCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1297920629 ICCXPPCIXHAJFX-UHFFFAOYSA-N 435.561 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](C(=O)N4CCCC4)C3)C2)C1 1298716023 BNEXBIWCIXXRLY-OQXXTQHASA-N 430.549 2.244 30 10 IEEE Cc1ccc(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1299877720 MRSLNNRMRRJTCZ-CABCVRRESA-N 438.550 2.219 30 10 IEEE C[C@H]1CN([C@H](C)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)O1 1300039657 YGFSOSHBAAIRKJ-KFWWJZLASA-N 435.366 2.371 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)C(C)C 1300528430 WHSUCWPKXQJUMG-UHFFFAOYSA-N 441.605 2.041 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1300655403 WNKHFQBYPRCQAL-DYESRHJHSA-N 431.924 2.418 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccn(-c2ccc(F)cc2)n1 1300663892 IMFUGRPOMLFMLI-UHFFFAOYSA-N 448.506 2.332 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(CC)CC)CC1 1300690540 DCSBLNCEJKFWBQ-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1)OC 1301030630 NBDZHUOYIBXIAO-AYWYSENESA-N 441.532 2.251 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCc3ccccc3-n3ccnc32)cc1S(=O)(=O)NCC#N 1301115235 FBMHFJZLSOWZIY-SFHVURJKSA-N 435.509 2.400 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCOCC1)C1CC1 1301312595 ILPWFTQOVIOTSO-QGZVFWFLSA-N 425.537 2.049 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1 1301424273 IFPXCZVJJVDFDE-LSDHHAIUSA-N 425.580 2.079 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1302989021 GBDYLQZOCCPHOM-MRXNPFEDSA-N 447.465 2.027 30 10 IEEE CC1(C)CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1303977215 DMNRZUSMSVCHRP-FMQUCBEESA-N 428.537 2.152 30 10 IEEE C#CC[C@H](CCOC)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1313096415 ATCUKWWAQSUVIW-IAGOWNOFSA-N 437.537 2.047 30 10 IEEE CN(CCCc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1314844019 XUSUAANGFZQNGK-UHFFFAOYSA-N 428.504 2.358 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)Cc2ccccc2)C1 1316526997 GPKMIKZDMHYGPE-NRFANRHFSA-N 440.504 2.397 30 10 IEEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)CC1 1358909212 XZHULZIEOWZCGA-UHFFFAOYSA-N 438.557 2.378 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358915288 YNYYEJNDTZRAEY-UHFFFAOYSA-N 442.589 2.308 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Sc2ccccc2)CC1 1359028121 HWAVZUKPWNTUFC-LJQANCHMSA-N 438.601 2.450 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359134655 CHPOOQUBYVHTLV-QFIPXVFZSA-N 440.592 2.405 30 10 IEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1359281031 MHHQRDYKHTXOCH-MRXNPFEDSA-N 429.546 2.500 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359288405 CQCJRLUWODACPG-UHFFFAOYSA-N 438.557 2.269 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1359295493 DBOSKSAOINOKOS-UHFFFAOYSA-N 439.907 2.031 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1360955126 LMWSNAGAOODURC-IRXDYDNUSA-N 429.489 2.281 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(=O)nc1O 1466240006 CBHCRIGKJIYVRO-LBPRGKRZSA-N 447.320 2.025 30 10 IEEE CN(C)C[C@@]1(O)CCCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1467710871 GBDLYVIIQLLSLI-YKSBVNFPSA-N 442.560 2.308 30 10 IEEE CCC(C)(C)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1469657727 HBAVJDQHJCTKAP-SFHVURJKSA-N 434.606 2.473 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCCN(C(=O)NCCC#N)C3)[nH]n2)CC1 1469994982 KXMMYRLIVFZCFY-MRXNPFEDSA-N 431.541 2.269 30 10 IEEE C#C[C@@H](NC(=O)N[C@H](CO)c1ccccc1I)C1CCOCC1 1470864976 LWAOCZSMVXDEJZ-HZPDHXFCSA-N 428.270 2.052 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3c(O)nc4cccnc43)CC2)c1 1471822868 VJDKSVCUGNSISE-UHFFFAOYSA-N 441.513 2.079 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CCO2)cc1 1478733385 HGJQYCUUGDMGCT-KRWDZBQOSA-N 431.290 2.266 30 10 IEEE C=CCCSCCNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1478936325 URTJJAZZBCFMOR-HNNXBMFYSA-N 427.567 2.347 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCC(=O)N1 1495736990 XDXIOGQZIGLCFG-NVXWUHKLSA-N 425.512 2.408 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1 1503218921 UAMPDYOGVOWHAJ-UHFFFAOYSA-N 434.548 2.066 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1CCOCCS(C)(=O)=O 1503462641 VMEUDKMJBDOATL-IBGZPJMESA-N 447.561 2.089 30 10 IEEE CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1503580975 DSYZOMMRZFDBRI-SFHVURJKSA-N 440.529 2.280 30 10 IEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CCOC1 1504053616 DXIMCHHVQYMKIG-YVHKJVDXSA-N 427.505 2.148 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCO[C@H]2CCOC2)c1 1505318514 XWJWMEGWKVUJCL-IBGZPJMESA-N 446.502 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)noc1C 1507527470 IEIOXBIZCIXDOU-ZDUSSCGKSA-N 427.534 2.349 30 10 IEEE C#CCN(c1nnc(CC)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507635719 YVGSLQFFPRTKNZ-GOSISDBHSA-N 446.573 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCN(CC)CC1 1507648977 PKGBJOFFXXZUIH-UHFFFAOYSA-N 429.572 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCN1C1CC1 1507660894 GXZYEGAMTMSQBA-QPPBQGQZSA-N 425.577 2.410 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507875552 TZCVZFUIFJCSNI-YLJYHZDGSA-N 425.961 2.424 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1508097233 GNONOLWXNJOAQD-SOAMZJECSA-N 432.613 2.418 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1508687572 CJPJSUNSXISVBB-QFIPXVFZSA-N 426.521 2.246 30 10 IEEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](F)COC)c2ccccc2c1=O 1515949764 SPPXCOXDPWIZTA-INIZCTEOSA-N 439.495 2.399 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C 1518606008 RVLLRMKROQGLDQ-HHXXYDBFSA-N 429.546 2.113 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(C)CC1(Br)Br 1519190126 CWKSZFPZIKYPLH-QMTHXVAHSA-N 443.143 2.281 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)C1=O 1519602404 DAVBOTAPWSATTH-MSYCTHLASA-N 429.517 2.048 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)cnn1CCC#N 1521296991 RJSPXTVLOXIHHM-KRWDZBQOSA-N 427.509 2.273 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539065776 KNUIKTLJZDVGFY-HJNYFJLDSA-N 442.608 2.312 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1539221447 OMIUYUINMXKEJU-DLBZAZTESA-N 434.587 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCNC(=O)Cc1cccc(F)c1 1539331878 ANMPBANTNPOSGI-UHFFFAOYSA-N 444.514 2.225 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2nsnc2c1 1539401178 WJBDARGHBYPSHG-NRFANRHFSA-N 442.545 2.069 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1539556714 UJDYCNYIAQTWJK-WZONZLPQSA-N 428.581 2.111 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539613139 VWEUMZCTOMCCHK-ZNMIVQPWSA-N 431.459 2.165 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)COC)CC1 1539990256 HLFGFWXPZCZRHV-UHFFFAOYSA-N 427.505 2.371 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1540020005 GEDWVKATUYUBJF-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1540055057 ZCFKFOXGAIXTDX-ROUUACIJSA-N 447.605 2.470 30 10 IEEE COc1ccc(NS(C)(=O)=O)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1543987764 GKWJHVDKBHXFCE-UHFFFAOYSA-N 442.501 2.169 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 1544162116 IERGMXMWTDWWCG-HSAQVAQVSA-N 435.488 2.133 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[C@H]2COCCO2)cc(OC)c1OC 1554733320 PZIODOXUOHXLOX-WBVHZDCISA-N 445.520 2.372 30 10 IEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CCOCC1 1555299672 RMHYJZOFHHJGHI-XLIONFOSSA-N 425.533 2.467 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1555500094 NYXHKPFQNGYFAW-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1555943372 KOBYYPFQGOZSSQ-XNRPHZJLSA-N 435.326 2.200 30 10 IEEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCC#CCN(C)C)c1 1587078814 JOSILFNEHYQNEN-UHFFFAOYSA-N 429.542 2.124 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-c2nc[nH]n2)cc1 1588250526 GBQYQQGPTCKXES-UHFFFAOYSA-N 439.527 2.436 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1588459320 SEVHPSHVHWBGSP-CALCHBBNSA-N 430.553 2.035 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1588741615 FXSMEVANMHLPNJ-GOSISDBHSA-N 445.589 2.029 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccccc2F)CC1 1588749862 ALTQFWHSOFMBCY-XMMPIXPASA-N 441.551 2.456 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(c3ccccn3)CCC2)CC1 1588752797 WIBBNAJGVHKEIC-FQEVSTJZSA-N 438.576 2.274 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1589048147 VQEJHKAMZYNTCD-UHFFFAOYSA-N 429.550 2.016 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1593789689 OWZGQAOHSWOKRG-OAQYLSRUSA-N 438.576 2.144 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1593907736 AGKRHJPPMZITJJ-KRWDZBQOSA-N 432.960 2.278 30 10 IEEE C=CCCCCn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1594646506 ZNQIATKOVYLTRD-LJQANCHMSA-N 437.610 2.218 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1595837808 FJVVMPFWDVVKKJ-KRWDZBQOSA-N 433.582 2.130 30 10 IEEE C#CCN1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CC1 1596609896 JWHYOERVAYGIDN-UHFFFAOYSA-N 436.472 2.208 30 10 IEEE CCOc1ccc(C#N)cc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1597432595 NRFZHIVDECDTHK-HNNXBMFYSA-N 437.518 2.320 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1608225730 AFCJKLOPSQNVPY-PMERELPUSA-N 430.578 2.472 30 10 IEEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1615509779 QGUBPMVURZWULK-FPOVZHCZSA-N 429.561 2.232 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1617915719 CUSJXRGSHQQVGI-IBGZPJMESA-N 447.538 2.188 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(Cl)c1 1627810820 PTSIHGUPYWACPS-UHFFFAOYSA-N 426.908 2.302 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1631231599 PWHZNBVHQUUIHI-UHFFFAOYSA-N 446.507 2.500 30 10 IEEE COc1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1631331567 ZFHKIQDAOQRURK-IBGZPJMESA-N 442.541 2.168 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1 1634464460 CBWVSIJCJUVKII-SBUREZEXSA-N 447.507 2.109 30 10 IEEE Cc1nc(NC(=O)Cn2cc(C#N)c(O)nc2=O)sc1Cc1ccc(F)c(F)c1F 1635346809 GFKVKLKMBPFRNS-UHFFFAOYSA-N 435.387 2.232 30 10 IEEE COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1F 1666197762 ANEMJYWPJIZLLL-QGZVFWFLSA-N 435.452 2.323 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)CC1 1666659446 ANZDAJDLWZKSAD-UHFFFAOYSA-N 434.562 2.089 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 1667145953 XMYAYKZLAYHJFJ-UHFFFAOYSA-N 427.526 2.499 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1682157414 ZAZCWZKUXZTZGK-YVSFHVDLSA-N 433.471 2.225 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3cccc(Br)c3Cl)C[C@H]1CS(=O)(=O)C2 1683187296 MIGDMQOVFTYJLD-NHYWBVRUSA-N 432.727 2.182 30 10 IEEE C#C[C@@H](NC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1)c1ccc(Br)cc1 1683507981 KWLNGXRWWYMEEL-LSDHHAIUSA-N 432.278 2.158 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 1687137620 IPURUDMHSHRTIH-LJQANCHMSA-N 428.489 2.199 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1689887265 VELCQGJJXQRXJC-UHFFFAOYSA-N 447.543 2.087 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(-n2cncn2)nc1 1689955684 PMNBPHRJENHBEX-UHFFFAOYSA-N 430.472 2.056 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1689975442 XATAEIOYCHDATR-IBGZPJMESA-N 428.556 2.339 30 10 IEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1 1690220777 ABCKKTNVTOGTPB-ZDUSSCGKSA-N 441.351 2.482 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1690266640 DSBJRTJWCJAGPQ-FQEVSTJZSA-N 439.520 2.367 30 10 IEEE C=C(C)Cn1c(N2CCN(CCOC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690298147 QUGUIXGZZPMSNZ-HDICACEKSA-N 434.585 2.393 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(N)=O)CC1 1690472658 SOSBBUTVJOZKRN-UHFFFAOYSA-N 445.593 2.215 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1690497002 DWBQJRONQZFAOR-QFIPXVFZSA-N 431.512 2.246 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)c1occc1C 1690520438 XAIGITSSCNLJNM-UHFFFAOYSA-N 447.503 2.265 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC(=O)N1CCOCC1 1690556338 UQGBNRFARBDSBI-UHFFFAOYSA-N 448.527 2.400 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690673763 CPVMTLRZZQUESS-UHFFFAOYSA-N 442.589 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCO[C@@H](C)C1 1690725366 NRQWSEBXLKNLHF-KRWDZBQOSA-N 434.562 2.094 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCCO1 1693772779 GHBJZKXGLFJVJM-MRXNPFEDSA-N 429.546 2.257 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@@H](C)O1 1693827615 AIAGORYZASKGGN-YVHKJVDXSA-N 427.505 2.148 30 10 IEEE CCCN1CCC(N(C)c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1695377896 CXSSYPNVPIFTPZ-DQRAZIAOSA-N 443.596 2.314 30 10 IEEE CCN(CC)C1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1695637389 FRGLQLTXWUFDKJ-VXPUYCOJSA-N 443.596 2.413 30 10 IEEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1=O 1695852958 FITOXSFMGGYRAV-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC(F)(F)Br)c1 1698485613 JXAMKMZUQWTBRK-UHFFFAOYSA-N 430.278 2.373 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1705522535 IEPKFZXYTOIOGX-UHFFFAOYSA-N 449.559 2.486 30 10 IEEE C#CCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705539699 ZAIMWCHWWBQQMQ-AWRGLXIESA-N 445.608 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1cc(CO)nn1 1705575021 VUVDOJUMZUHPEC-UHFFFAOYSA-N 440.511 2.049 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(N2CCCC2)CCOCC1 1705628043 WCYFBYPMRVYQLO-HXUWFJFHSA-N 431.581 2.251 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705699762 LNUAGAZVSBOXDB-PZJWPPBQSA-N 430.597 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1705717522 MAEYQOBQTJMPPH-IRXDYDNUSA-N 432.546 2.423 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1705889447 WHLBLCMEYUCHRS-UHFFFAOYSA-N 432.532 2.244 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1CC 1705895467 HWJOZNZWGDYGTI-MRXNPFEDSA-N 445.593 2.228 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2)C1 1705922258 JIYGXMNGHPKTBZ-SJORKVTESA-N 427.505 2.076 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705945841 SXTFPCBKLBDOGK-QGZVFWFLSA-N 443.573 2.369 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1705976326 LLKKQOSKPKWYRJ-JLMWRMLUSA-N 432.569 2.316 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1706075181 KOFAHEYQMOQDQU-CRAIPNDOSA-N 429.546 2.149 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1712058583 GPAFFGLNCBORKT-RBUKOAKNSA-N 438.532 2.259 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCCC1=O 1722294822 ZBWYVDWPKNPSHH-MRXNPFEDSA-N 426.521 2.256 30 10 IEEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722320162 YUCLSWSMMFVDKG-UGKGYDQZSA-N 426.609 2.413 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1722366821 SOJOOTHTIXTIFF-INIZCTEOSA-N 442.463 2.203 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722410091 QIICVIRCTKOFPN-HXUWFJFHSA-N 431.500 2.360 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1722420638 KTYBMKPVGZFDEE-JOCHJYFZSA-N 436.560 2.260 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCC1 1722428672 ISTGLSVBGOSXIC-GOSISDBHSA-N 447.580 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCOC2)CC1 1722433746 FKXMYCCQEGBKBT-SFHVURJKSA-N 425.533 2.144 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNC(=O)C(C)C)CC1 1722439380 ZUMMNFLKZVBCBV-UHFFFAOYSA-N 442.995 2.440 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722507487 FXFLQIMSOQRDLL-UGKGYDQZSA-N 427.597 2.494 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@@H]1C 1722678735 WVQQUXVWRJKGEU-HTAPYJJXSA-N 438.536 2.111 30 10 IEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722684199 ADFYCUVSEGPVMU-IAGOWNOFSA-N 430.505 2.287 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC=C(c2ccccc2)C1 1722724867 IMILAHVHQIUWDB-UHFFFAOYSA-N 443.573 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722727832 ORQNVEXUAYKMLM-QGZVFWFLSA-N 429.550 2.121 30 10 IEEE CN(C)C(=O)CCCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729301521 HPDXWJOQOOPLNP-UHFFFAOYSA-N 439.539 2.436 30 10 IEEE Cn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1729603006 AFBCDKZKCINJOX-QHCPKHFHSA-N 435.532 2.483 30 10 IEEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1730888135 FQQZAKHAGRPPQO-UHFFFAOYSA-N 448.527 2.494 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1731178565 ATAYALRLDFZUEU-HXUWFJFHSA-N 428.493 2.084 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740585314 QFINUCIIVAUKMG-MSOLQXFVSA-N 438.532 2.444 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740619324 HTIHAJKZGFYGAH-UZLBHIALSA-N 449.964 2.189 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1740626934 ZDAPGIGXZQVSMB-JOCHJYFZSA-N 449.580 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCO1 1740680431 BIXZGJPWNJVFOE-SFHVURJKSA-N 432.546 2.004 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOCC1(C)C 1740687482 GNYBTVLJRSLBFX-WOJBJXKFSA-N 447.624 2.394 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCO2)n1 1740689579 YHNUNLBRMVGWMO-CTNGQTDRSA-N 442.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(OC)cc2)CC1 1740701011 QUQXJXGJPOHXDK-UNMCSNQZSA-N 439.560 2.009 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21 1740708882 DNNNIAVCBZKNHB-QAPCUYQASA-N 433.603 2.378 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1740765113 PMHRSKDRJMYBCM-UHFFFAOYSA-N 425.415 2.006 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H](OC)C(F)(F)F)CC1 1740818878 XOJGUSKCTFYORG-QWHCGFSZSA-N 425.477 2.012 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ncccc2N(C)C)CCOC1 1741125860 NXJVKYMPWIGXKX-VGSWGCGISA-N 427.553 2.424 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741686939 BJCNKDYYASCTKG-UHFFFAOYSA-N 444.543 2.453 30 10 IEEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCO1 1744248500 HCVYGOYSGSNQTE-HXUWFJFHSA-N 429.546 2.399 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccnc1 1748006624 QUIQAULCGRLDNL-INIZCTEOSA-N 442.321 2.413 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(F)cn1 1748771257 JSQIBRLNCKCMKX-UHFFFAOYSA-N 427.509 2.198 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1749053310 GAYKVNJANFAITP-JLTOFOAXSA-N 437.516 2.401 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1749367114 QEUKXVLXMIJALA-IRXDYDNUSA-N 426.583 2.024 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749403805 LJUZXOJBHLGOJH-HXUWFJFHSA-N 437.548 2.214 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1749684068 PKEIXNQTGWZACU-NRFANRHFSA-N 448.527 2.213 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1750100486 JIUQUOMSEDSQJH-IXFSTUDKSA-N 441.532 2.252 30 10 IEEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCCN2CCC[C@H]2CO)CCO1 1750388632 QPVTWEQXHMHQET-VXKWHMMOSA-N 438.576 2.029 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1751092707 ADJSCVAYWQBUGY-LJQANCHMSA-N 448.579 2.024 30 10 IEEE Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)n1 1751628487 BLEIGTARYSTZFY-UWJYYQICSA-N 445.593 2.355 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC=CCO1 1760100666 CXFVMRPRFKOTSJ-DOTOQJQBSA-N 428.562 2.350 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760154690 YAHFFIOPBWCQFP-HXUWFJFHSA-N 443.498 2.388 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1760182554 KTAMCHGTIOWADW-INIZCTEOSA-N 433.603 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 1760212314 WPSBPBPXMRUPPC-HXUWFJFHSA-N 446.349 2.315 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCc2ccccc21 1760242366 ATZQHUAFQIIPIW-UHFFFAOYSA-N 436.560 2.053 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760307370 QCYSASJISWHBMP-GUYCJALGSA-N 426.315 2.112 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760316912 YFVCCAJGSMMEQQ-ZVDOUQERSA-N 432.613 2.419 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1760331281 GPZHQRDSMUJXCT-UHFFFAOYSA-N 441.532 2.401 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1760356718 VNCHHXBXPYTOFI-IBGZPJMESA-N 425.533 2.310 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OCCOC)CCOCC2)CC1 1760396425 OWKFJMXUPLCGFK-UHFFFAOYSA-N 447.580 2.129 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1763933336 JNDZRMUCJXQTEL-OAHLLOKOSA-N 446.515 2.180 30 10 IEEE CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1764257504 ZPQLATIGTCOLSN-RBUKOAKNSA-N 425.537 2.190 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1768172179 KFHWGJBTVWOOSW-IBGZPJMESA-N 437.592 2.458 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)C1 1770105677 CCRHBIWYWXUVFF-PWRODBHTSA-N 441.532 2.110 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1770803638 YKIZOYKEWUIIEZ-ZBFHGGJFSA-N 443.401 2.481 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1771177083 XAPLXJPGRUEZLZ-KTBSYUBASA-N 446.552 2.153 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccccc1 1771295291 LFDIBADGYRTPMQ-BYZLFZLASA-N 429.496 2.352 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1772566975 BEJANJVSOHYAEI-SFHVURJKSA-N 440.548 2.226 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1772887295 LLLHYAYEMQJDDM-GOSISDBHSA-N 446.577 2.007 30 10 IEEE N#CCC(=O)NCCOC(=O)C[C@@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O 1851843561 AORCLHCTUJUPQT-SFHVURJKSA-N 435.436 2.076 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)c2ccccc2C(=O)N2CCN(C)CC2)cc1 1852343683 NTIIFLCFCRCJRY-UHFFFAOYSA-N 444.495 2.392 30 10 IEEE N#Cc1cc2c(cc1CC(=O)NC1CCN(c3cc(C(F)(F)F)ncn3)CC1)OCO2 1852415437 RENIHXBHUSRKSF-UHFFFAOYSA-N 433.390 2.423 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(F)c1 1854583445 JZJFVAXFZTXBGL-UHFFFAOYSA-N 429.473 2.290 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1S(=O)(=O)c1ccccc1 1855155277 OVIZNADBVNWINT-AWEZNQCLSA-N 431.901 2.468 30 10 IEEE N#Cc1ccc(CCC(=O)O[C@@H]2CON(S(=O)(=O)CCOc3ccccc3)C2)cc1 1855470640 NALADIDPBNKENY-FQEVSTJZSA-N 430.482 2.059 30 10 IEEE CC(C)N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C(=O)C1 1856308481 OHOZZOWLHJPYTL-NHCUHLMSSA-N 428.558 2.031 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCNC=O)ccc1O 1862420634 PDWOGQXSLMGLDY-IBGZPJMESA-N 446.406 2.393 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)O)cc1 1862608779 VZXGASIEFUIGME-LJQANCHMSA-N 439.420 2.381 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1C(=O)O 1862608818 WVEGKUXYGKSXQO-BLVKFPJESA-N 439.420 2.115 30 10 IEEE CC(C)N(CC(=O)N[C@@H](C)C(=O)Nc1ccccc1C#N)S(=O)(=O)c1ccc(F)cc1 1867233285 NRDDZVHGPUSMMC-HNNXBMFYSA-N 446.504 2.240 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900451142 LVRAMFYTJXDBKJ-GFCCVEGCSA-N 425.360 2.333 30 10 IEEE Cc1nc(I)c(I)n1-c1ncncc1C#N 1936390187 YBTVYHGOIJFBBM-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1 1982297815 IGLPWUJXAUILRC-JOCHJYFZSA-N 431.374 2.190 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC 2006228909 WJINHYCJKYIAQR-ZDUSSCGKSA-N 427.361 2.183 30 10 IEEE C#CC[C@@](C)(CO)CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2025336727 JRNIFGPCEHXUOO-FDDCHVKYSA-N 432.517 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060633700 QLHOUCHEDFBHGH-JEZSTIGHSA-N 436.358 2.157 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060768780 BCDSSPDMOXPMGR-RTBURBONSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ccc(C#N)c(Br)c1 2118200596 GYEVTMQUKVPFIO-GOSISDBHSA-N 426.311 2.413 30 10 IEEE C#CCn1ncc(NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c(Br)c1=O 2162391158 FWLSUVGIGJYNNX-SFHVURJKSA-N 441.326 2.077 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194174976 OBFPUOGLQGYDAE-BZNIZROVSA-N 446.176 2.430 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773388 JDUFNNKUXHEQBZ-OCCSQVGLSA-N 437.371 2.475 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H](F)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904998 RDXLMCWYIPLPJU-GJZGRUSLSA-N 448.366 2.441 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247906234 NDMCOMQAAJGQKN-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE C=C(CS(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2248575227 ZEYAWIFPEUWQDS-NVXWUHKLSA-N 439.339 2.152 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)o1 2255536114 DSEVKTDMRHZIQA-UHFFFAOYSA-N 434.258 2.239 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2255540739 RBKOLRYGDRYNPR-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255615916 WPHMIJIOMPONPB-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255806766 KAPROHVSIUAANK-VNHYZAJKSA-N 449.382 2.428 30 10 IEEE COc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255815888 VEXWTITUHBEGDL-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2255823771 XMKDMCMZUJLESP-ZBFHGGJFSA-N 431.342 2.332 30 10 IEEE Cc1nc(NC(=O)[C@H]2C[C@@H](C)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256597198 DJSCYFMVMCWSGA-IUODEOHRSA-N 432.330 2.421 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(=O)O)Cc2ccccc2)n1 2256916544 HNNHLKWWIOWARX-UHFFFAOYSA-N 427.310 2.319 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC(C)(NC(=O)OC(C)(C)C)C1 2257489028 ZNCKFEBQIAZJOW-UHFFFAOYSA-N 431.342 2.428 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267141991 OBNHHJVBPSUVDN-KOSHJBKYSA-N 436.365 2.351 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267273085 HRCCVTDIUOYDQY-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CC1 2267505049 CALHVTPUVJEJMH-FQEVSTJZSA-N 438.381 2.360 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2267529520 MNDFGHLZDSRVFB-YLJYHZDGSA-N 438.381 2.453 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268647985 UQHGPMPPUBDVDE-CVEARBPZSA-N 447.341 2.201 30 10 IEEE CCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 2314425934 CCTQRNNCKAGDDH-UHFFFAOYSA-N 445.614 2.410 30 10 IEEE CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314426014 HNWMBFOBDCOHFJ-RYUDHWBXSA-N 432.571 2.493 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)n1C 2337405475 SCAJIUNEZUULAI-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](O)C#Cc2ccc(Br)cc2)(S(C)(=O)=O)C1 2351750585 VEDMBZNNVYAPCJ-OAHLLOKOSA-N 444.347 2.196 30 10 IEEE NC(=O)CSc1nnc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)n1N 21327923 BSNJIEJHYZIZNC-LSFURLLWSA-N 431.909 2.248 30 10 IEEE CS(=O)(=O)N1CCC(c2nn(Cc3ccc(C#N)cc3)c(=O)n2-c2cccs2)CC1 38900941 HFBXNFZXTJFJBU-UHFFFAOYSA-N 443.554 2.154 30 10 IEEE Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 41514053 AQHLEVCONZNLJS-MOSHPQCFSA-N 439.468 2.335 30 10 IEEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)c1 100488774 HADGZAKNKJHDMS-AGGMBTAESA-N 437.496 2.234 30 10 IEEE C=CC[C@]12C=C(OC)C(=O)C(OC)(OC)[C@H]1[C@H]1C(/C=C/C)=C[C@]2(OC)C(=O)C1(OC)OC 143168446 JSAXPXNTZVWWDV-NGDYHEQISA-N 448.512 2.357 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 428360932 CKUULHFPVJWKKO-INIZCTEOSA-N 436.497 2.497 30 10 IEEE N#Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 460275225 FOCLAKUVTMRMFD-UHFFFAOYSA-N 449.479 2.432 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 460782354 MNAFILOWROLANX-UHFFFAOYSA-N 448.508 2.474 30 10 IEEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)C2)cn1 466034908 FVGQWPQSJQGHMB-HXUWFJFHSA-N 435.532 2.321 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 477976730 QDHFEJQJAOEPCQ-ONGXBYRLSA-N 435.509 2.083 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCC(C)(C#N)CC3)CC2=O)cc1 507841327 OSHXIKOVFCFCPR-KRWDZBQOSA-N 446.573 2.222 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 511416851 VDJSDJWHHSCZFP-LJQANCHMSA-N 443.511 2.031 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 523257905 PHAGKIIVTOSNHO-PBHICJAKSA-N 441.509 2.115 30 10 IEEE N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 524624653 DGMBMMJIAJAYJF-RLLQIKCJSA-N 447.557 2.417 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 540919467 MIJKGWPKCRVRGG-FCHUYYIVSA-N 447.539 2.323 30 10 IEEE CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C1CCN(C(=O)c2cccc(C#N)c2)CC1 575552762 PGJVLXMCBUFWNC-GOTSBHOMSA-N 432.524 2.431 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)CC1 605416408 KMUBLODJJDXPTO-UHFFFAOYSA-N 435.956 2.272 30 10 IEEE N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 618716206 NTQQSPNYZWCDLG-HXUWFJFHSA-N 431.539 2.309 30 10 IEEE C[C@@H]1[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1Cc1ccccc1 619588038 MNXKRMXLLPXEHJ-UTKZUKDTSA-N 432.528 2.411 30 10 IEEE N#C[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 619753570 FVNKWOWXDHTLAX-GOSISDBHSA-N 446.916 2.242 30 10 IEEE C#CCN(C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 729330531 FNQITEDBKNPCNS-SOLBZPMBSA-N 433.530 2.340 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 730827851 NSLNIDSOEXTTQU-QKYXUNIQSA-N 425.529 2.436 30 10 IEEE Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732708834 VFSHYCQHQOUMGW-HXUWFJFHSA-N 431.496 2.385 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)CC(=O)N2C)cc1 734921627 RAXISZGPBDPFAF-FRQCXROJSA-N 427.482 2.399 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1)c1ccc(C#N)cc1 740250709 PYHBADBJRFCTHO-AUUYWEPGSA-N 431.466 2.434 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1)C(C)C 744428215 AFFKITFNUGYYID-QZTJIDSGSA-N 438.569 2.496 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 757871334 JTXHQMLVHQMJFR-KRWDZBQOSA-N 426.558 2.495 30 10 IEEE COCCOc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nc2ccccc12 759170612 DTPXJPZBRBGEFU-UHFFFAOYSA-N 425.466 2.391 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)OC)c1 766166018 WUFRHKZKQUXCQZ-LJQANCHMSA-N 428.510 2.268 30 10 IEEE C#CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774236779 YRNBIYAYPUKYCV-MSOLQXFVSA-N 435.546 2.084 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)cc1F 782728698 ZGNKNRVFMYNTPF-UHFFFAOYSA-N 438.390 2.223 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 802427969 KOKCLRBFULPHIT-IBGZPJMESA-N 436.520 2.425 30 10 IEEE CSc1c(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)cnn1C 809123746 JNXJWWKMPOLBGH-UHFFFAOYSA-N 433.284 2.034 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1 1130341963 ZOJFIIWKZWJZRQ-UHFFFAOYSA-N 435.440 2.155 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C#N)C3CCCC3)CC2)o1 1132850399 SWRSNERURSUVSB-INIZCTEOSA-N 437.518 2.056 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)C1=O 1134565518 QZRAJRYQXPXKES-UHFFFAOYSA-N 428.832 2.120 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCCS2(=O)=O)cc1 1136331846 OAORLUCSRNXTBY-VVDBFAKWSA-N 441.575 2.185 30 10 IEEE Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)ncc1C#N 1136644008 DYLJQOHTSKYGDN-UHFFFAOYSA-N 435.509 2.347 30 10 IEEE CCO[C@@H]1C[C@@](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)(C(=O)OC)C1(C)C 1154490739 GZJAUMDTEWCSAA-UZUQRXQVSA-N 436.549 2.500 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC4(CCOCC4)CC[C@H]3CO)ccc2c1=O 1156263769 ZNKXDGPBAJWCSR-INIZCTEOSA-N 429.542 2.265 30 10 IEEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O)C(C)C 1176373593 UDHPDKGBROKTBT-CPNJWEJPSA-N 445.541 2.200 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 1219084215 HRCYRBFYDGQRIL-AWEZNQCLSA-N 440.294 2.299 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286346596 ZUTOEOPOCKLKBV-UHFFFAOYSA-N 428.500 2.355 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286557285 UPBVACAUJQAQRE-XWSJACJDSA-N 438.594 2.167 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1293033323 VYTYRDYOTBTYPS-VZCCSQPZSA-N 447.333 2.229 30 10 IEEE C=CC1(CC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)CN(C(=O)OC(C)(C)C)C1 1295100313 OOUIZBCTIDBGOV-INIZCTEOSA-N 428.489 2.189 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1c(C)noc1C 1297288158 QTFXUZXGKVMBIG-UHFFFAOYSA-N 436.520 2.255 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1300403396 KSDIWJUUOXWKGW-IBGZPJMESA-N 441.557 2.085 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1300843477 FVGKUCUGCKDLBP-CYBMUJFWSA-N 433.372 2.094 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1301363727 ZFDBUSFUUGBLEN-INIZCTEOSA-N 425.580 2.275 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301507990 CGCWPORDZAVPFQ-SFHVURJKSA-N 437.548 2.070 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)C2CCCCC2)C1 1301535130 IEGJQAPJTHELNE-IBGZPJMESA-N 444.580 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301576506 WETNINIGQALSMH-UXHICEINSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc3C2)nnc1[C@]1(OCC)CCOC1 1301596495 QIAIJSCOJVCBPM-QFIPXVFZSA-N 446.573 2.094 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCO3)n1CCCOCC(F)F)C2 1302988774 BNCKKTBOLBYHLL-MRXNPFEDSA-N 434.447 2.336 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3ccc(O)c(CO)c3)C2)C1 1303199682 MYGHTAMJBWSCAO-FRIYVGAWSA-N 429.517 2.330 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](C)N1CC(F)(F)F 1308134269 DFINWVRIVDRCKL-IXDOHACOSA-N 443.539 2.414 30 10 IEEE CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1313813002 ATQZCMNYZPLVSC-HXUWFJFHSA-N 438.580 2.106 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC=C(Br)C2)C1 1314925135 ZLBVLCSBYATNDH-FQEVSTJZSA-N 443.349 2.372 30 10 IEEE CNC(=O)c1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)c1 1314978776 HFQLHSDGBXWRJW-INIZCTEOSA-N 446.515 2.266 30 10 IEEE CSC[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1316438026 FLUKYPJECFFOAX-HYLQGWQCSA-N 446.577 2.030 30 10 IEEE CC(C)Cn1cc([C@@H]2N(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC23CCOCC3)cn1 1327090090 OPQIXSPFIRLENY-MRJHHRETSA-N 441.532 2.136 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC2CCN(c3ccccc3C#N)CC2)=NO1 1332161389 PSRVRBDFEMIQBR-QGZVFWFLSA-N 427.505 2.313 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1349994296 JPXQCAZKCNSTNM-IRXDYDNUSA-N 441.347 2.058 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1358898542 VYCONZNTQJHBMU-VQTJNVASSA-N 440.592 2.350 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)c2ccco2)CC1 1359038390 UUCZDPNUUUCRJE-DEOSSOPVSA-N 435.528 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)CCCO2)CC1 1359041801 IWWMUFYHDQICTL-DEOSSOPVSA-N 437.544 2.489 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1359054611 AVYBMYDWMIUIHT-UHFFFAOYSA-N 439.520 2.037 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)CC(N)=O)nnc1[C@@]1(OC(C)C)CCOC1 1359105152 KQQYTWXJWUEBJU-KZFRKFNSSA-N 435.569 2.000 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125941 ZXQFVQHGTUTSIT-BBWFWOEESA-N 445.568 2.181 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359125980 AWBIUNYQFPKMSF-IBGZPJMESA-N 427.553 2.453 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)CC1 1359178985 IPIMWXIPYZMYGO-CHAGWJKLSA-N 428.624 2.130 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)s1 1359298098 MVTFFEUZIIMBHE-UHFFFAOYSA-N 448.350 2.498 30 10 IEEE COc1cc(CNC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)ccc1C#N 1449086455 NEIYPAFSJNLJRJ-HWHUXHBOSA-N 435.402 2.169 30 10 IEEE CSc1nc(O)c(C(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)cc1C#N 1465518457 ZMJPYAULWLIVJQ-UHFFFAOYSA-N 445.589 2.225 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O 1466357963 ABGFMYSDBQKGEZ-OAHLLOKOSA-N 437.518 2.078 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccccc4CC#N)C3)[C@@H]2C1 1471434806 NSHIMCJPRTWTEF-UHOSZYNNSA-N 440.500 2.407 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)n(C)c1 1471984306 UGWCAWUJMWRWMB-KRWDZBQOSA-N 444.561 2.039 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](c2n[nH]cc2N)C1 1472351387 ISBFJZYPFLRWSG-LBPRGKRZSA-N 434.294 2.420 30 10 IEEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CC(=O)NCC34COC4)c2C#N)C1 1473772942 FVQHCNNNRGZPFS-AWEZNQCLSA-N 430.574 2.300 30 10 IEEE Cc1ccc(OCCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1492407593 IAMCXGLHWNOTKS-FQEVSTJZSA-N 438.532 2.411 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1492492561 CNSRJYJZFXIBDZ-LAUBAEHRSA-N 447.536 2.318 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1csc(CC)n1 1503105203 XRLWUQZDPJBSJZ-UHFFFAOYSA-N 438.561 2.475 30 10 IEEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)n1 1503665099 GFJHFVJATBOIKD-SFHVURJKSA-N 436.520 2.053 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507563252 SRZVBRZLAFTZES-UHFFFAOYSA-N 433.560 2.267 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1507589890 ABHUWRSSZZHGDT-DLBZAZTESA-N 430.553 2.118 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1507619103 GZRZXEWTSKPZMD-IBGZPJMESA-N 446.596 2.266 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(F)(F)CO1 1507686615 FALFKNBFNBVNNV-AWEZNQCLSA-N 438.504 2.122 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2c(CC)noc2C)CC1 1507736365 JOCWEJWLUGVTNF-UHFFFAOYSA-N 433.516 2.213 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507915875 GEWVUSUCLYAUDV-MOPGFXCFSA-N 432.613 2.421 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507932605 VGHVFQVCQDRXMJ-FQEVSTJZSA-N 425.581 2.383 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)[C@H]1C 1508094451 YAGZEKOHPUXJLE-QAPCUYQASA-N 427.505 2.097 30 10 IEEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512113199 RACYVJPDARBUQA-LHUAGQQPSA-N 436.520 2.276 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCO[C@@H]1CCOC1 1513918848 WDPAVPXGFBFJCH-QGZVFWFLSA-N 428.512 2.373 30 10 IEEE COc1cccc([C@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1518346955 BWFAFCQLZWDLGH-CTNGQTDRSA-N 433.516 2.380 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCC1)C1CC1 1519519654 BIZPQAKWVGTUJY-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)C2 1526773409 MXFUHCAALGYWEG-KRWDZBQOSA-N 440.481 2.410 30 10 IEEE CC1(c2ccc(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc2)OCCO1 1531557860 IDLUARAEZYXKQZ-FQEVSTJZSA-N 448.479 2.299 30 10 IEEE C#CCN(CC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)C(=O)OC(C)(C)C 1538371849 PAXAUGPDBOCBAB-INIZCTEOSA-N 442.516 2.079 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)(F)F 1538974223 UHKXPXQPYOMXLR-CYBMUJFWSA-N 431.422 2.472 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539215606 GYKHFRZEKPBMKM-JRMCHAMMSA-N 436.541 2.019 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)N1CCOCC1 1539258152 RALIAOJBGAWRIX-UHFFFAOYSA-N 443.555 2.314 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1539599643 BKMJACFQAVKDTG-CQSZACIVSA-N 434.338 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1539646256 SNDPZUGBKJEDAH-UEXGIBASSA-N 425.533 2.458 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539736466 YTPFXYRYPLWDCB-MJGOQNOKSA-N 427.505 2.481 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCc3sccc3C2)nnc1[C@]1(OCC)CCOC1 1540876367 OYQCCNPBYRCZCH-NRFANRHFSA-N 431.562 2.247 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H](C)C2)C1 1540883281 XAIJPTHJNIVTRM-OALUTQOASA-N 439.564 2.439 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1ccc(C#N)o1 1542722107 JRRMOEQFMMMERO-UHFFFAOYSA-N 447.543 2.413 30 10 IEEE CCNC(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cc1 1547756882 HAEDBCZGQPBLNK-UHFFFAOYSA-N 435.532 2.052 30 10 IEEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1555487504 DCSOZEAKNIFQKB-GBESFXJTSA-N 447.536 2.377 30 10 IEEE O=C(CCC(=O)Nc1ccc2nc(O)[nH]c2n1)NCC(F)(C(F)(F)F)C(F)(F)F 1559018339 ZAYDIBKUCNUYDE-UHFFFAOYSA-N 431.268 2.331 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)[C@@H]2CCN(CC(F)(F)F)C2)s1 1585971557 TUWYWYMFYMIEDE-CYBMUJFWSA-N 439.525 2.240 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1586550407 UJUILPGYINTYRG-UHFFFAOYSA-N 438.469 2.137 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588049207 BWPICRRCZLHOHL-KZNAEPCWSA-N 431.537 2.413 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1588848882 PORGQDKYCUVWFO-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1589115960 AAUSAMIJWZCKRK-QFIPXVFZSA-N 444.557 2.228 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(N)=O)C1 1589504804 JIYRSXGAWXQFDJ-JZXOWHBKSA-N 426.477 2.146 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1594567905 SXIIAKHANMMPNS-UHFFFAOYSA-N 438.536 2.276 30 10 IEEE C=CCCOCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1594830090 TVESYWAAZASWKQ-HXUWFJFHSA-N 439.560 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595523110 PUIBQWUTIINBPD-KSFYIVLOSA-N 429.496 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCC(=O)N(C)C)C1 1595729105 JCWVLCWMFMYFOR-XLIONFOSSA-N 441.532 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C2CCCC2)CC1 1595784921 NPNRIBKQRGIFDJ-UHFFFAOYSA-N 444.605 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)C)CC1 1595823447 NTYRAIKPCYJZPN-UHFFFAOYSA-N 447.605 2.297 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597077530 KCBORSWVMXUVSI-ZJIOXEHGSA-N 428.537 2.109 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)N4CCC(O)CC4)c3)CC2=O)cc1 1598382801 BSKRYWLMMGMMGP-GOSISDBHSA-N 432.480 2.147 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1613403345 BGOMZHKJVBHQMG-QGZVFWFLSA-N 439.564 2.018 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1614974407 BFJYKSUBQDGNEK-SFHVURJKSA-N 432.532 2.145 30 10 IEEE CCOCc1nnc(N(C)Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1616689336 HOIJRRZBAMNMHJ-FMQUCBEESA-N 428.468 2.117 30 10 IEEE C[C@@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1NC(=O)C(F)(F)F 1617704117 CFXNWPIMWWSGJF-MCIONIFRSA-N 434.459 2.489 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1619914704 UUGXBIKDIBKTEG-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1620019365 MVUKCDNWICVBAW-TWHPPBISSA-N 446.596 2.382 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1620077041 CLMHNBUFYDEMSE-JPYJTQIMSA-N 441.532 2.254 30 10 IEEE C#CCOc1ccc(Br)cc1CN[C@H]1CCN(c2ccc3nncn3n2)C1 1621006441 JBAUVEMYFRXRSG-INIZCTEOSA-N 427.306 2.267 30 10 IEEE CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1622396099 SGJUAGDVLRPQNF-SFHVURJKSA-N 428.558 2.084 30 10 IEEE C=CCC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1623969440 KOKBVQHLPXDGBR-QGZVFWFLSA-N 448.589 2.124 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1)C(=O)OC 1629613271 YWQHECQIDVEPSO-GOSISDBHSA-N 440.452 2.016 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2cnc(I)c(O)c2)c1OC 1632986143 WKBTXRQJOXIXPD-LLVKDONJSA-N 439.209 2.404 30 10 IEEE Cc1c(C#N)c(=O)n(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)n1CCO 1641368613 NWJJMTWLKMBJJU-UHFFFAOYSA-N 436.415 2.373 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2Sc2ccc(C)cc2C)CC1 1650846359 TXNCBKAEQVSHHV-UHFFFAOYSA-N 444.582 2.075 30 10 IEEE C#CCN1CCC(NC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1652172977 KVLSCBSJLIQIOT-UHFFFAOYSA-N 443.594 2.323 30 10 IEEE Cc1nnnn1-c1ccc(F)c(NC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)c1 1655100578 KSMZXHACZMHRGQ-UHFFFAOYSA-N 435.463 2.216 30 10 IEEE N#Cc1ccc([C@@H](O)CN2CCNC(=O)[C@@H]2c2ccc(I)cc2)cc1 1655783677 KAORHICEXAZMBT-ROUUACIJSA-N 447.276 2.369 30 10 IEEE C#CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1666127807 WUZAVRWIGZBYQF-KDURUIRLSA-N 425.595 2.278 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)C2=O)cc1 1671575983 ASVMIQUPVKIIKU-VQTJNVASSA-N 438.509 2.023 30 10 IEEE COc1ncc(NC(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N 1674777687 DGZWIJKEVDBMEO-QGZVFWFLSA-N 430.509 2.121 30 10 IEEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1684009434 KLBLBLMSWGLZPS-UHFFFAOYSA-N 435.528 2.158 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C2)nc1 1686724703 ACYUBDPXSXSFAO-KRWDZBQOSA-N 443.454 2.431 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1689830694 BTVAZWGKTDMVFS-JPYJTQIMSA-N 435.532 2.406 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689986070 IANRBJGKDBQZKI-ABSDTBQOSA-N 443.573 2.170 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1conc1COC 1690107834 FBGFNFDYXZFMDP-IEBWSBKVSA-N 431.537 2.465 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCS(C)(=O)=O)CC1 1690402659 LBRJIWANRVGMJX-UHFFFAOYSA-N 449.533 2.317 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1690993191 GSFSXKCEAAEJDR-HUUCEWRRSA-N 429.550 2.208 30 10 IEEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1694399817 AQRCOKKYHPBLQC-IBGZPJMESA-N 437.548 2.024 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)C[C@@H](C)O1 1694936851 URWPSOXXIAEUEI-APWZRJJASA-N 446.577 2.150 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1695067936 AGJQZKWBQHSCMD-GHTZIAJQSA-N 431.562 2.381 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1695289738 BNLCSZWQDUSVFU-YKSBVNFPSA-N 437.592 2.051 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCC(F)F 1697565532 SAQXIKNPGKCWBN-INIZCTEOSA-N 432.475 2.412 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CSCCS1 1697617670 FHWBBHRGNYNJDM-JKSUJKDBSA-N 447.586 2.443 30 10 IEEE C[S@@](=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCC1 1698321300 FCJCWNYJZKXLDT-ILHIWHGASA-N 435.500 2.177 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705476059 RIJMYZNFZBDHQA-NSHDSACASA-N 443.861 2.426 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)C2CC2)c1 1705506984 NWUIVDJDMSDNKQ-MHECFPHRSA-N 437.544 2.389 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCCOC1 1705526338 ISGDEMNJZBYAMD-SFHVURJKSA-N 445.589 2.472 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1705566226 MLLSGDBKFYMHBV-SFHVURJKSA-N 439.541 2.347 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC)CC1 1705641003 MUSFVTXROHCQTO-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cnc(C)s2)CC1 1705650481 RMZZHRQVLFNWLW-UHFFFAOYSA-N 435.557 2.043 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCCOCC)C1 1705704423 UEZMZGMYAQDWLL-IHPCNDPISA-N 430.553 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705898165 CPHDNUCUBXPCOF-SFHVURJKSA-N 435.532 2.373 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1706069791 HPIKWMNPLKOWMP-LSDHHAIUSA-N 427.534 2.081 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1706745929 LCUJMJKAQQFGIK-HOCLYGCPSA-N 440.474 2.070 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)CC)CC1 1709822094 FJBOFUNCLYGIAQ-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1(C)C 1712089155 IZQKKEVBCAXDRP-ZDWFVDTJSA-N 441.532 2.130 30 10 IEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1712130005 DSTQLLKSNPNJDN-GOSISDBHSA-N 445.527 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1722276926 KASFAOFRWWVMHB-JPYJTQIMSA-N 435.532 2.406 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCCN2CCOC2=O)c1 1722307374 MDEHOBJCPCSMAT-UHFFFAOYSA-N 436.516 2.129 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1722309123 VTTPSQLQNXTDHC-NLWGTHIKSA-N 448.637 2.145 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1722323767 HUSAUFIRUJOJSN-FGTMMUONSA-N 437.610 2.476 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1722423162 XPNOIHVJDDMCBW-LJQANCHMSA-N 446.548 2.386 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722527470 KGLLKIVQRXXAOZ-QGZVFWFLSA-N 446.577 2.450 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1722650195 RKGGZWDHTQYKQR-UHFFFAOYSA-N 429.525 2.127 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1722675422 PUGWXLXMZWTDJY-UHFFFAOYSA-N 436.560 2.464 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1722813186 AZQFWLYQQWBNNP-OAQYLSRUSA-N 449.559 2.228 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)C 1722869281 HMLGBXHOIZMESD-ZDUSSCGKSA-N 435.326 2.304 30 10 IEEE CC(C)(C)O[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1723005604 AFKBGNDVONRYIF-RJCBAWPRSA-N 428.537 2.466 30 10 IEEE CC(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723445334 RVDBFJDGNWSOAR-UHFFFAOYSA-N 437.529 2.461 30 10 IEEE CC(C)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1723521722 HWEWPVCEHMIEAV-HXUWFJFHSA-N 438.580 2.106 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCC(F)(F)F)CCOC1 1723691454 LNIGGJBKGOYVPK-WMLDXEAASA-N 449.499 2.343 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1726691163 DNNLIMVWIZMQMM-CICGVWCYSA-N 427.534 2.130 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCc2ccccc21 1730875342 LTPRDDHHUHPQDB-ICSRJNTNSA-N 440.548 2.184 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)C[C@@H]1O 1731136348 HXDWVHNXCDLWGU-QIJUGHKUSA-N 438.576 2.261 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740536728 LRGKHMZAFGMRBE-GHTZIAJQSA-N 438.576 2.354 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccccc2)CC1 1740581173 RAUVSASYVXKZTL-IBGZPJMESA-N 444.605 2.014 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622638 FKDCUHUDNHWABO-HXUWFJFHSA-N 433.622 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1740657615 ULHPWFNKPKQATK-NHCUHLMSSA-N 445.633 2.155 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1740694853 VYQIBYRBYIBNCM-PMACEKPBSA-N 439.560 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1740708090 BDOVOXRGMQNPEF-LEWJYISDSA-N 443.592 2.028 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1740731062 OCZRYGCBTNKEEQ-HTAPYJJXSA-N 444.557 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740761334 MYWAYDFUKLXCJO-WDSOQIARSA-N 437.610 2.292 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740875087 RBWJLHQKOWNMIU-GOSISDBHSA-N 438.580 2.271 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1740891252 WLFADYOQXOUGKZ-OAHLLOKOSA-N 434.566 2.275 30 10 IEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC=C(C)C1 1740962712 MILVEERQXOYTGI-UHFFFAOYSA-N 449.603 2.101 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1741134452 BARGYVLBOQXILC-CYBMUJFWSA-N 445.325 2.392 30 10 IEEE CCc1nc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1744482380 RSPKEOUQMMJITQ-VXPUYCOJSA-N 441.561 2.412 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1746486260 BRWVMRHOHVCWEN-KRWDZBQOSA-N 435.532 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1748876429 FTBSCAQXQINTMM-UNMCSNQZSA-N 444.543 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](OC)C(F)(F)F 1748888284 RIJGKWLLJFMIBO-MRXNPFEDSA-N 437.422 2.436 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1748928922 BAQCIXVDRRZKAE-KRWDZBQOSA-N 430.509 2.391 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749345524 LFVIVFDZZJNXBW-DQRAZIAOSA-N 433.516 2.193 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C(F)(F)C12CCC2 1749599659 IBRMTIOPKIEHCD-HUUCEWRRSA-N 430.521 2.254 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C(F)(F)C12CCC2 1749599660 IBRMTIOPKIEHCD-LSDHHAIUSA-N 430.521 2.254 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cc(F)c(F)c2F)C1 1750378897 PLLBEYWRGIYVQI-LJQANCHMSA-N 440.376 2.447 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cccn2)CCO1 1750386201 BTMIAGFQXMHIAJ-CQSZACIVSA-N 431.298 2.051 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1750563496 GJSAIZOTXQYDET-UHFFFAOYSA-N 440.548 2.100 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1751157294 DKNOWGNKKGCIGA-QFBILLFUSA-N 425.493 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(N)=O)CCOCC1 1760102827 ROJGPNJOYOVJLS-AWEZNQCLSA-N 433.459 2.287 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1760116086 FJBJDOCLYYVXPS-MOPGFXCFSA-N 442.585 2.387 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)c1 1760128342 FZGBFTMDAZVOCV-VQTJNVASSA-N 439.560 2.463 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760132576 KWWMCMXYMNLDSA-OAQYLSRUSA-N 432.528 2.448 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760182666 IAQQPLJMRKPLPH-IBGZPJMESA-N 445.589 2.205 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760188909 QUQLOVLLTOUNTD-OALUTQOASA-N 432.521 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)C)C1 1760198526 DNHFTTAPFWCWPB-FQEVSTJZSA-N 443.559 2.114 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760523237 QRUILRALTQHPIH-PBHICJAKSA-N 425.518 2.065 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760527237 PRYLWZSMKCOFSV-FXAWDEMLSA-N 425.533 2.206 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1761553039 BBHOWGXTQUHNGB-PGRDOPGGSA-N 443.573 2.381 30 10 IEEE CN(CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1767319685 CDJXEFNRQPAFQA-HXUWFJFHSA-N 437.548 2.159 30 10 IEEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)OC2CCCC2)C1 1767515415 NSZDNQJYIPHTBR-JOCHJYFZSA-N 426.521 2.106 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C 1769494204 BNTCNWKMIZTTER-PBNKOMEISA-N 442.545 2.005 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C2CC2)cs1 1769836667 CKGRRJSEVAQZLO-UHFFFAOYSA-N 429.550 2.263 30 10 IEEE COc1ccc(-n2nc(C(=O)NCC3CCN(c4ncccc4C#N)CC3)nc2C)cc1 1850730946 LVLFYUFKXXYZNZ-UHFFFAOYSA-N 431.500 2.497 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1 1851167541 HNSHHOMDRDTGDK-UHFFFAOYSA-N 430.464 2.146 30 10 IEEE CC(=O)NC[C@H]1COCCN1[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 1851419289 PTVALAVBMFLCLB-JXFKEZNVSA-N 431.496 2.155 30 10 IEEE N#CC1CCN(C(=O)C2CCN(CCCC[C@H]3Oc4cccnc4NC3=O)CC2)CC1 1852758553 HWSIGRBCTBFFNM-HXUWFJFHSA-N 425.533 2.426 30 10 IEEE CCS(=O)(=O)c1cccc(CN(C[C@@H]2CCCN(C)C2)C(=O)c2cnc(C#N)nc2)c1 1853422196 JTMFJAYGTXXYRS-GOSISDBHSA-N 441.557 2.126 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCCc4ccccc43)C2)CC1 1857054092 ZYCMCFOFUUXPJF-ICSRJNTNSA-N 429.542 2.047 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)CC1 1890206454 SCSISLORDVXCET-UHFFFAOYSA-N 426.517 2.197 30 10 IEEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)no1 2060636031 SOTWRRGYHOQTNO-UHFFFAOYSA-N 431.258 2.363 30 10 IEEE C[C@@]1(NS(=O)(=O)CC2(C#N)CCOCC2)CCCN(C(=O)OCc2ccccc2)C1 2174782626 SFIRDYXFSAFXPQ-HXUWFJFHSA-N 435.546 2.417 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247905573 IWSVGKBFPNOWTL-ZHRRBRCNSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC[C@H]1CO 2254792464 KDNURSURAZIRSW-RDJZCZTQSA-N 433.358 2.093 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258892466 SRYWQEQHCWROEN-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258958105 TYDFZONNLOKPEG-KSFYIVLOSA-N 434.342 2.011 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267012458 UTLIKANXRXMLPO-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267089767 HZYFMPOTJMUFDN-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C 2267127854 URSZSJQTWAITEC-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)n1 2267148380 YWRIUGVJYSQPHK-UHFFFAOYSA-N 446.357 2.038 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2267501187 UFNQYYGPZHCDFA-DGCLKSJQSA-N 444.259 2.416 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268608274 HASZDCBXSNCCIH-OAHLLOKOSA-N 444.341 2.446 30 10 IEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268638425 STTOSIIBTXANIK-HDMKZQKVSA-N 448.369 2.437 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268644136 KURHVZJDGPGCSY-KSSFIOAISA-N 446.353 2.149 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268650182 HQKDGPXETOLQQK-GOSISDBHSA-N 445.369 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2272650815 OWYVUIQHALADTM-HJPURHCSSA-N 443.353 2.368 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282512462 ILQSYSOWCPINQH-YADHBBJMSA-N 449.360 2.106 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2315685240 RVLAKUPAGZHOEW-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE CN(C)C[C@H](COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)NC(=O)OC(C)(C)C 2322308899 LBFHXWBEZQBPGI-CQSZACIVSA-N 439.337 2.354 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2327379751 GTAJWRZKEIRCGJ-AWEZNQCLSA-N 434.346 2.227 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335394623 DLEOEWGBENSXRO-HZPDHXFCSA-N 445.379 2.327 30 10 IEEE COc1nc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339785368 UCLQKJJZZLBHKN-OAHLLOKOSA-N 449.357 2.119 30 10 IEEE CC(C)(C#C[C@@H](NN)c1ccc(Cl)cc1I)S(C)(=O)=O 2365716683 COXKLSDXXGTALZ-GFCCVEGCSA-N 426.707 2.276 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C(=O)NC)c3)cc2C1=O 22066983 CJMXOAXIZIVCTI-ZDUSSCGKSA-N 435.436 2.012 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c1 22990958 AAQIKPCQRCYLIC-UHFFFAOYSA-N 428.445 2.457 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1cccnc1 59310410 UWFPMVIMSNTLBO-FSJBWODESA-N 425.474 2.173 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)N[C@H](C)c2ccccc2)n[nH]1 59887854 NYVRDWPQWOSQPV-SRRANQMSSA-N 442.549 2.026 30 10 IEEE CC(C)(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 96930535 VVOMJEZLOYLYNZ-VAMUZDGUSA-N 447.516 2.183 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)n2)c1 409878740 HRCNEKJHOZLUJL-VXKWHMMOSA-N 440.507 2.073 30 10 IEEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1 438745705 RJLPIGLVKNYGGK-UHFFFAOYSA-N 449.536 2.465 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 441864767 BJSXOEUNLQVNON-UHFFFAOYSA-N 448.932 2.165 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3ccc(-n4cccn4)cc3)C2=O)cc1 504733792 MJNXXSPVPSDNMI-NRFANRHFSA-N 442.479 2.308 30 10 IEEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 508830953 WFKQOZMSBZZDHJ-INIZCTEOSA-N 429.498 2.001 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@@H](C2CC2)C1 508848222 MRBOWSJIHGDBKA-LJQANCHMSA-N 431.562 2.208 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508863879 LSYAEDBTOJFKBC-SFHVURJKSA-N 446.515 2.312 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 511544637 CJHDRNPDTIFZDX-UHFFFAOYSA-N 441.557 2.153 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)nn(-c2ccccc2)c1N 517616598 BDUGILPXSJEGOA-NRFANRHFSA-N 443.511 2.363 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 533879352 JAGLQAWTQBIQIM-UHFFFAOYSA-N 427.530 2.476 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2ccc(Br)s2)C1=O 541366182 HPKPCJBVVCRTQO-SNVBAGLBSA-N 426.292 2.151 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 557459921 QGERPAKFFVIFNC-CRAIPNDOSA-N 429.498 2.110 30 10 IEEE Cc1ccc(C)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c1 560427313 MVAMPYDDCCLFEW-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE C[C@@H]1CO[C@H](C(F)(F)F)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 586777414 OJEYQCXOHQBGQT-JLSDUUJJSA-N 428.430 2.186 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 588235847 RCQIIWOMBUMBMV-QGZVFWFLSA-N 444.517 2.138 30 10 IEEE C#CCN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 729332385 OQORJWVUYJVAAN-MRXNPFEDSA-N 444.513 2.397 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 732812633 CTIDYRQSMCYKFW-HOCLYGCPSA-N 426.439 2.425 30 10 IEEE N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)N1CCS(=O)(=O)CC1 732908601 OZKVIPVSWCSFJT-INIZCTEOSA-N 434.420 2.337 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)cc1C#N 747494999 HDTAZQFLFIGASI-UHFFFAOYSA-N 436.468 2.066 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 752194335 NVFNTVKWJOPOKC-AWEZNQCLSA-N 431.583 2.226 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1 752611462 UVDMDNDKLDLEFL-LIRRHRJNSA-N 430.482 2.370 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCCO2)c1 756079096 GFSAAKJRCGVUDY-AUSIDOKSSA-N 442.585 2.236 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2cccc3ccccc23)CCN1C1CC1 756778671 DYXKEKAGOUTQNJ-HXUWFJFHSA-N 428.496 2.222 30 10 IEEE C=CCN(CCO)C(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757434849 DBXOMMGFQDUHCN-NRFANRHFSA-N 438.480 2.375 30 10 IEEE CCc1cnc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)s1 758753022 OCLVMEPURCXPBD-HOCLYGCPSA-N 434.566 2.296 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cn1 763383054 SVYVKVJZPTWJKF-UHFFFAOYSA-N 436.375 2.441 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCC2CCS(=O)(=O)CC2)C1=O 768421221 LHJBHWKVXHQZNA-KRWDZBQOSA-N 437.587 2.278 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2COC3(CCCC3)O2)C1=O 773178009 PTXCGMFZXIMGBT-RDJZCZTQSA-N 428.514 2.312 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])c(Br)c1 777093463 XMDORNLPJIHTGU-UHFFFAOYSA-N 439.247 2.035 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3[C@@H]4C[C@H]5CC[C@]4(CS3(=O)=O)C5(C)C)cc2C1=O 780517665 GEBZRZFDXAPDFN-UZSYQUHHSA-N 428.510 2.449 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 784801923 FBAJELRCXRJLPB-GOSISDBHSA-N 427.407 2.179 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 800167628 OXTPCQZLHBBGCW-FUHWJXTLSA-N 437.566 2.402 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2Cc2ccccc2)cc1 802182609 JROROOOXCQVTAU-IBGZPJMESA-N 430.468 2.418 30 10 IEEE COCCn1c(CN2CCN(Cc3ccc(Cl)cc3)CC2)nnc1N(C)C[C@@H](C)C#N 802529437 DGFBUTKUUINGNH-SFHVURJKSA-N 445.999 2.492 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 803520929 VLHMUZLIYOFMBI-LJQANCHMSA-N 430.501 2.211 30 10 IEEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C)[C@H]1CCS(=O)(=O)C1 809840848 SSLORCMEEPCRAZ-ZDUSSCGKSA-N 429.329 2.328 30 10 IEEE Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)nc1 858043827 ZOFDBJBYGPRIEC-RBUKOAKNSA-N 425.558 2.314 30 10 IEEE Cc1ccc2c(c1)C(=NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cn1)CCCO2 916331831 LGDFDVXNDKDPHK-UHFFFAOYSA-N 429.546 2.315 30 10 IEEE C=CCOc1ccccc1CN(C(=O)Cn1nc(C)n(C)c1=O)c1ccc2c(c1)OCO2 1124213067 ZKYWTXOVQJTLGD-UHFFFAOYSA-N 436.468 2.417 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1cccc(C(=O)N2CCOCC2)c1 1131632809 MWCXABUVWVFYFC-UHFFFAOYSA-N 433.468 2.228 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 1136064281 IEFNPQJPZDSDKZ-VAWYXSNFSA-N 432.524 2.474 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)c2ccccc2OCC)CC1)C(=O)OC(C)(C)C 1136280594 YNJDBBLBLVBLOA-UHFFFAOYSA-N 429.517 2.240 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 1140339690 GOSQTCJSWOSSTK-HYMFSAHRSA-N 442.443 2.355 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1143458502 OZDVKJCPUIEIFX-FSTYKVKCSA-N 429.565 2.466 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C 1150140070 GFZMPYVBOZDUAI-FGSXEWAUSA-N 440.569 2.252 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1286287494 FSJOBVIIRBONBQ-JPYJTQIMSA-N 436.585 2.483 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1286397064 RIGUBKKHSGXVAU-JKSUJKDBSA-N 430.521 2.267 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@@H]2CCOC2)cn1 1286449005 GVVVSRMOPQCBJQ-QGZVFWFLSA-N 425.562 2.494 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCO1 1286470523 YMOPEXAZDGJPBA-CEXWTWQISA-N 445.564 2.480 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286548624 UCYLJRWPXMYKPV-OTWHNJEPSA-N 439.626 2.491 30 10 IEEE C=C(C)Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OCC)CCOC1 1286598428 IYWHNAICGJCBDZ-XMSQKQJNSA-N 427.553 2.402 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286612281 CBJHQOONTOEIIW-UYAOXDASSA-N 425.533 2.473 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635468 SVIDYYCYUUVXAJ-WIYYLYMNSA-N 439.988 2.372 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1286764260 KFJJZGWEEFLWPM-GCJKJVERSA-N 444.605 2.495 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CC)C1 1286807910 HIIJZNRXUZEULF-HRAATJIYSA-N 448.593 2.181 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)C)C1 1286814959 YNNPKBULPHCLLC-INIZCTEOSA-N 432.550 2.009 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286822705 NSPGILRAUYLUST-SFHVURJKSA-N 437.610 2.107 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1286834156 BNEKADAIEPDENB-UHFFFAOYSA-N 446.543 2.394 30 10 IEEE C#CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]1CCOc2ccc(Br)cc21 1293513809 QUFUVMQRANCQHC-OAHLLOKOSA-N 429.336 2.016 30 10 IEEE CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1295429232 IPFZPCMHGBGVRT-VZCXRCSSSA-N 440.504 2.335 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1c(CC)nn(C)c1OC 1300438781 VUTDXYSYKSARPH-UHFFFAOYSA-N 446.353 2.468 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1300478872 DTWAMYNFZNUCAD-KRWDZBQOSA-N 435.594 2.013 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1300989512 CLJBNZADGFNBKV-YLJYHZDGSA-N 441.532 2.475 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301246030 LMVDXNAOYBIWDS-UHFFFAOYSA-N 438.576 2.282 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1301252420 MZHAULMKGMZGPF-SJORKVTESA-N 448.568 2.173 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)CCC)C1 1301491226 GFLHGKMWGHOMQH-KRWDZBQOSA-N 440.548 2.141 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCN(C(C)C)CC2)C1 1301553255 IETFBEWJHYWPNJ-IBGZPJMESA-N 428.581 2.300 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2COCCO2)C1 1301567726 YQVQISVZRNLFFA-SFTDATJTSA-N 428.533 2.269 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C#N)o2)CCO1 1301903008 JOXAIMVVOFIHAB-QGZVFWFLSA-N 440.891 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1302220490 DDMPZXCTBIAMEO-ROUUACIJSA-N 444.536 2.078 30 10 IEEE CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1302499580 DCGWWVNWEBWPHU-XMMPIXPASA-N 446.559 2.264 30 10 IEEE C#CC[C@@]1(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1302744111 AOQFKIYSPSVLMP-MOPGFXCFSA-N 431.455 2.449 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ncnn2C(C)(C)C)CCOC1 1303478966 SCFOGOYTCZTLJX-HRAATJIYSA-N 430.557 2.452 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCOC1 1303481342 JNBVBLNPQUJPIK-AUSIDOKSSA-N 438.532 2.105 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1303778186 VBFSPMGVRLHKED-ZBFHGGJFSA-N 433.509 2.378 30 10 IEEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1306759645 ODHQCBAQALEHJI-UHFFFAOYSA-N 448.531 2.220 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OC 1309864383 TWRIUDWAUOFFOU-SFHVURJKSA-N 436.534 2.267 30 10 IEEE CN(CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1314859934 DGWKXJMWHNXHBL-UHFFFAOYSA-N 439.442 2.240 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1316168175 BIZSGYQCDKJWHV-RBUKOAKNSA-N 434.585 2.100 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CSCCS2)CCO1 1316539799 QIXXMUOPHATJMW-JKSUJKDBSA-N 432.531 2.431 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1 1355747064 YIFGXISSAUXRKZ-FCDQGJHFSA-N 442.497 2.107 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C1CC1 1358949740 LOVKQLLNIAPYNN-AEFFLSMTSA-N 432.569 2.139 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1359095066 JQLJQFPXTCQTTC-LAUBAEHRSA-N 443.523 2.360 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359100846 GXEITVCDDKLUHQ-NZQKXSOJSA-N 444.624 2.202 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1359135880 QWIZEEMKCVOJCG-FQEVSTJZSA-N 427.549 2.013 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](N2CCCCC2)C1 1359302571 LTXXVQOTJWCAQP-HXUWFJFHSA-N 438.576 2.244 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)C1 1359314338 ZDQDTRDZADHJRT-FDDCHVKYSA-N 447.580 2.146 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC(F)F)CC1 1359396775 KVJNDWSIRGPLEO-UHFFFAOYSA-N 448.474 2.069 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Cc4c(C)cc(C#N)cc4C)CC3)C2=O)n(C)n1 1435862038 GXBWTYYOWZFEDU-JOCHJYFZSA-N 448.571 2.099 30 10 IEEE N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)nc2n1CCOC2 1463331566 BLHQVJTXFJJTQP-UHFFFAOYSA-N 449.920 2.365 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2c[nH]nc2I)CC1 1463792320 CKVDBJMXDCEYPU-AWEZNQCLSA-N 439.232 2.176 30 10 IEEE COc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(C#CCO)c4)CC3)n2)cc1 1463889528 QPRPGNJDBGZJDQ-UHFFFAOYSA-N 432.480 2.047 30 10 IEEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 1463899342 ORVYSCLTHWOUJC-MGPUTAFESA-N 441.534 2.209 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(OCCO)c(OC)c2)c1 1466035740 SSEZUUBXCNOWQW-INIZCTEOSA-N 431.510 2.354 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1C 1474925079 HZSMVFFQEJJDIE-UHFFFAOYSA-N 429.502 2.387 30 10 IEEE CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1499581627 HKDOTRCWFUQUTR-SJLPKXTDSA-N 428.562 2.335 30 10 IEEE CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1500514100 ZNHMDTAQRISEFG-OALUTQOASA-N 425.537 2.395 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1504971124 BEXJZGVSQWWTRF-AOMKIAJQSA-N 426.521 2.279 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CN(CC(C)C)CCO1 1507537700 NKYNPYFDOOIVSH-FPOVZHCZSA-N 435.576 2.331 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507604249 IMXQZDFBRBIVPP-QGZVFWFLSA-N 438.557 2.153 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)NCC(F)F 1507704115 PKNAHMIBWWHXLO-UHFFFAOYSA-N 442.470 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)CC1 1507722588 AYNLVVYTTJZRQJ-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507737568 BWZWQMMNBBXZOU-LJQANCHMSA-N 426.609 2.489 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507747865 JGKMZGDXIIPOHB-JOCHJYFZSA-N 449.628 2.399 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1507762054 TZPLVWMDSNFWIC-HUVFLSCGSA-N 445.608 2.423 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507889392 UUEAMOISJSJGKN-QGZVFWFLSA-N 449.552 2.434 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)OC)CC2)cc1 1508096271 DYNXINVVSDQZOZ-UHFFFAOYSA-N 441.532 2.419 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(OC)cc2)C1 1508109582 UHCBGLOIZSXTIS-FQEVSTJZSA-N 441.532 2.383 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1509953897 MDXRRQNTPYLDGJ-CVEARBPZSA-N 436.557 2.486 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1510132803 JCYGVLUHMYIGAR-GPMSIDNRSA-N 447.561 2.023 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)C1 1510282752 AGJPWEDNRHAWJY-HXUWFJFHSA-N 430.463 2.420 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nncn1CC 1516342991 FCIARXPLVORQRA-NRFANRHFSA-N 440.483 2.357 30 10 IEEE COCCN(C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1519108700 IAMAGDMSAMRLBF-QFIPXVFZSA-N 444.511 2.127 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CC1 1519205574 DEGIUAKUNLRJCZ-UHFFFAOYSA-N 446.559 2.094 30 10 IEEE Cn1c(=O)c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)sc2n(C)c1=O 1525428349 BQDWAYZQMHHUBC-UHFFFAOYSA-N 436.415 2.375 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCc2c(CC#N)cccc2C1 1530868535 SUTIRUQVEWTSPX-UHFFFAOYSA-N 439.537 2.281 30 10 IEEE CNS(=O)(=O)c1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc1 1538438593 BLSTXPOXRRDQFW-DBWCEAHUSA-N 448.545 2.320 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCCN1CCN(c2ccncc2)CC1 1538996666 XQGZQOMDQAJVBM-HXUWFJFHSA-N 432.576 2.349 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2ncc(C)s2)CC1 1539463178 WIAJYDSOGNMPAX-NEWSRXKRSA-N 444.605 2.326 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1539540801 UZHUAMWUDCBHAE-JOCHJYFZSA-N 443.573 2.209 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539743233 ZCDNXIIIZACJRE-GOSISDBHSA-N 425.537 2.282 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539757963 FKZVGYIWQYRQIN-QUCCMNQESA-N 425.533 2.207 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(NC(C)=O)cc2)CC1 1539827924 BVQZRGWQELNHIL-INIZCTEOSA-N 446.577 2.246 30 10 IEEE COc1cccc([S@](=O)CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 1540714244 UQCQBUYXHFRMMG-WJOKGBTCSA-N 437.525 2.191 30 10 IEEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)c1 1542825994 HCEQXRLFXVKPLQ-IBGZPJMESA-N 439.545 2.035 30 10 IEEE CNC(=O)C(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1554376811 FPTCNRWHUXDGBF-HSZRJFAPSA-N 434.548 2.419 30 10 IEEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1554578908 DEHGAOGMICUITC-QHCPKHFHSA-N 438.532 2.103 30 10 IEEE Cc1nc(SCC(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c(C#N)c(C)c1C 1569043383 FDMVZYSCTYMGBB-QGZVFWFLSA-N 426.546 2.125 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)[C@@H](C)O)c1 1586137851 HBJBGIPXXDQVKR-KUHUBIRLSA-N 438.933 2.193 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)CC(=O)N(C)C)cc3)c(C#N)cc2C1 1586400801 IRCBKAHFONFKSQ-CQSZACIVSA-N 440.525 2.192 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1587765603 IRHPLTHKLYNFLW-MSOLQXFVSA-N 437.610 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1588245476 FVSXHBZJPUVRFS-RUZDIDTESA-N 431.540 2.373 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@](C)(O)CC)CC1 1588871584 IPGXVHKMTLAYEM-QHCPKHFHSA-N 427.549 2.172 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1589207863 RHWQSQLQFSSBQC-XMMPIXPASA-N 434.544 2.191 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](COC)C1 1594608859 XXPFFVPSEDQGDU-KRWDZBQOSA-N 448.593 2.446 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1595204993 NIJCQEFLOAVWTD-UHFFFAOYSA-N 445.531 2.420 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)cc2)C1 1595721321 DLUIQXXNNWPMEI-ICSRJNTNSA-N 446.573 2.409 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H](C)C#N 1596832019 RYVFDXQGAIPIIG-AWEZNQCLSA-N 440.520 2.071 30 10 IEEE CN(C)CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)n1 1596925032 JUKMDDAOWBEBQZ-HIXSDJFHSA-N 446.577 2.290 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1598063624 WSEXIJAYULLGRX-HXUWFJFHSA-N 447.547 2.412 30 10 IEEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1598304993 ZZJOXWDIVYFADL-LBPRGKRZSA-N 441.435 2.090 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1609942694 CUHPJUADRVTIBZ-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)n1 1611072936 QBUCYUOSTVMORI-LJQANCHMSA-N 432.575 2.435 30 10 IEEE CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1618522734 HCQFEMWFHQGESX-OAQYLSRUSA-N 443.577 2.172 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)C1 1627813536 WGWZAOILYOBZIA-UHFFFAOYSA-N 445.239 2.338 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)s1 1627816893 NMCWEIHSFQTUAP-OAHLLOKOSA-N 435.571 2.159 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F 1632880683 WQUMCAMFVAAZPZ-OBGWFSINSA-N 437.353 2.286 30 10 IEEE CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1633381657 BYVBHGFCQDQGNI-ZIAGYGMSSA-N 425.482 2.110 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)C1 1634554482 BFXOHZXUCFBARM-OAQYLSRUSA-N 431.602 2.226 30 10 IEEE CN1CC[C@@H](CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1639645416 PPOHLWJXAFRRHC-OXQOHEQNSA-N 426.517 2.377 30 10 IEEE Cc1ncc(I)c(N2CCN(c3snc(C)c3C#N)CC2)n1 1639982321 CUEKLECFISEMQM-UHFFFAOYSA-N 426.287 2.353 30 10 IEEE O=C(CN1CCN(CCc2ccncc2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1648046968 RZJLPYLDUICNCU-UHFFFAOYSA-N 430.474 2.428 30 10 IEEE CCn1c(=O)c(C(=O)CN2CCCc3cc(C#N)ccc32)c(N)n(Cc2ccccc2)c1=O 1654575313 HGOPSRVPRVZICT-UHFFFAOYSA-N 443.507 2.168 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br)[C@H]1CCCO1 1655041568 WLERTEPFXCFIHD-ZIAGYGMSSA-N 430.320 2.393 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@@]2(CCO[C@@H]2C)O1 1655215422 CDRCMTPUPXGOOW-GLKRBJQHSA-N 433.299 2.417 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C#N)c(Br)cn1 1655579030 FMAQCCYDXQNLDI-UHFFFAOYSA-N 440.279 2.039 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@H](CO)Cc2cc(Br)ccc2OC)C1 1684082514 CRIHVZKXCLTUAP-QAPCUYQASA-N 438.366 2.006 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CN(CC(C)C)CCO1 1690006659 WFPURVUDEOBFRT-NRFANRHFSA-N 436.516 2.283 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1690155530 KQLXCKNUUKUJLL-OLZOCXBDSA-N 439.529 2.033 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1690252532 GABWZZOAUKJRNG-SELNLUPBSA-N 448.564 2.301 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690326854 FCAIFXJEVYFLHK-UHFFFAOYSA-N 448.959 2.074 30 10 IEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1690444522 IXPKPDVCPSUNIQ-IFMALSPDSA-N 449.559 2.380 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690467349 UEGASGMZNYSAHQ-WOJBJXKFSA-N 430.597 2.304 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1690669456 FWOAOTPUJBRDIZ-KRWDZBQOSA-N 437.504 2.107 30 10 IEEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1(C)C 1693705043 HNOCJZYMYQERGR-AOMKIAJQSA-N 443.573 2.239 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCCO1 1693772775 GHBJZKXGLFJVJM-INIZCTEOSA-N 429.546 2.257 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@](C)(O)CCOC 1694724591 FXJQDJFKUPHFHU-HSZRJFAPSA-N 426.565 2.212 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1695045047 FZYFMALYXGFELZ-VGSWGCGISA-N 427.505 2.279 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697127762 FBWZKEYRNJWFCE-YLJYHZDGSA-N 432.532 2.221 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCCCCC1 1698136470 XMJFDUPQYNMTPJ-UWJYYQICSA-N 436.532 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c(OC)c(OC)c1 1705572173 SOPUPCJZKOOSEG-UHFFFAOYSA-N 441.919 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1705598407 JCVBPCZRLKYVAG-LJQANCHMSA-N 426.542 2.008 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1705649700 FBBPKFNVFZVHMW-NFBKMPQASA-N 448.571 2.211 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705829515 UBNCHJHDZVBIHN-IBGZPJMESA-N 444.580 2.051 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1705830091 IXRGCUFPFRJLHV-RTBURBONSA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1705903078 PKYLEHBZQYPRLM-LLVKDONJSA-N 441.376 2.405 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1705940224 YQEOMHCTQPBOCD-INIZCTEOSA-N 444.671 2.118 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1709459484 BSWIWTKSDXZNQY-QFBILLFUSA-N 426.521 2.235 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CC1 1710336117 CFCIXSPBLSONRV-UHFFFAOYSA-N 447.490 2.340 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C(F)(F)F)cs1 1712565117 BQNMQBCAVJPTEM-NEPJUHHUSA-N 446.455 2.254 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCC2)nnc1N1CCC(CCCO)CC1 1712912961 OYDNYYPVPABDRH-VZCXRCSSSA-N 428.537 2.061 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1722276378 ICRSVOZBEWBXRO-ZWOKBUDYSA-N 446.621 2.212 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1722351201 GZLLDCFDQMXERT-IIBYNOLFSA-N 435.594 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1nc(C)c(C)s1 1722450194 ZXUMJYKGLNWMIY-UHFFFAOYSA-N 428.518 2.213 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722534197 ILMGVTVTLWSDOR-LJQANCHMSA-N 438.536 2.047 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 1722541727 QUKBAQBNCASGQG-QHCPKHFHSA-N 438.532 2.343 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccnn2C)CC1 1722621155 WGMXUVLDUUCHJE-UHFFFAOYSA-N 427.553 2.224 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCOCC2(CCC2)C1 1722701405 OYYQXBDRVTZAON-UHFFFAOYSA-N 425.533 2.209 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1722705335 BOTVOAXFEAEOAO-NRFANRHFSA-N 448.527 2.295 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722742090 HTMHVTYYSWVUBZ-LJQANCHMSA-N 442.589 2.011 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)N2CCOCC2)CCOC1 1723675333 BLVJIJACYVKNCC-CVDCTZTESA-N 446.596 2.169 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(C)CN(C)C1=O 1730750912 VGKIJMIEAARKRO-HSZRJFAPSA-N 433.516 2.276 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCCO[C@@H]2CCOC2)cc1 1731184668 HDIKDHILEWVXJT-HXUWFJFHSA-N 427.505 2.151 30 10 IEEE C#CCCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740579120 PCSQGXQXWDGYBJ-DEOSSOPVSA-N 445.608 2.282 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740601271 YTFJOKQLHVRNSR-KRWDZBQOSA-N 446.861 2.454 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1740607508 TUNKOTUODHJMLM-WJOKGBTCSA-N 438.557 2.216 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCOC1=O 1740629383 LQWLKZTWYUPFHS-UHFFFAOYSA-N 434.500 2.062 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(OC)ccc1OC 1740632887 YBIDQPLILXFLFV-XMMPIXPASA-N 438.528 2.457 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1740721731 RQGJDPNLDROGIN-SFHVURJKSA-N 440.573 2.054 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1740938026 VOPUZTJMSVICDD-SCTDSRPQSA-N 449.577 2.095 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740945594 BMLHDWQMKVRMEF-UHFFFAOYSA-N 446.939 2.367 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCc2ccco2)n1 1742704623 WTUNCZALERFGRI-JOCHJYFZSA-N 436.520 2.179 30 10 IEEE CC/C=C\Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1745113780 PMHWIAXXOXVCON-IYZQMXKPSA-N 437.548 2.490 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748731084 SZLRZYNKINIGFQ-XMSQKQJNSA-N 444.536 2.392 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748779541 OAYVCKNWTILGGU-IRXDYDNUSA-N 442.930 2.409 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748818732 FDSCUQYKCHZDRO-BJLQDIEVSA-N 427.574 2.327 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N(C)C)c1 1748947936 ANLXTAIMTVDLEU-UHFFFAOYSA-N 433.516 2.126 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)COC)CC1 1749014422 JKIJVZSGBIFVCZ-INIZCTEOSA-N 445.514 2.395 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N(C)C)CCCCC2)CC1 1749018993 HXLRXXNFLCMIST-UHFFFAOYSA-N 430.597 2.045 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749126339 BCVDLEAOOWCQBF-AOIWGVFYSA-N 441.536 2.431 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 1749131762 VKCYBYZWVXKLMM-IKGGRYGDSA-N 440.635 2.493 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1749231342 MPWLHSYOUULRHZ-SFHVURJKSA-N 439.568 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1749666718 QPTSEIUXGDOIMZ-UHFFFAOYSA-N 447.465 2.413 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1749668879 FWZKBEKNCJAZKD-KDOFPFPSSA-N 449.914 2.455 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749671437 AOQCJQDLQVLFQR-OALUTQOASA-N 445.951 2.209 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1749714788 MOOTZFDBXFOQAO-VXKWHMMOSA-N 440.592 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](OC)C1 1749739580 GWUZRRMZQXCXAE-LJQANCHMSA-N 434.562 2.382 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749754455 MZSMNOWKDVFXNB-GOSISDBHSA-N 440.573 2.310 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)CCCO2 1751213733 SLTPCMXBNGDIDU-OAHLLOKOSA-N 444.561 2.002 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1751277824 OVXHGYZZXFPYPN-QVKFZJNVSA-N 431.541 2.274 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760142389 AZVGFMFLFUMUTN-WMZHIEFXSA-N 431.581 2.475 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760160982 IANKIWUJNAUBAJ-IBGZPJMESA-N 425.508 2.226 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)n(C)c1=O 1760166033 NYWAOSGCTFCESJ-UHFFFAOYSA-N 429.322 2.171 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760182879 KQNSPLLXDGKXSO-MRXNPFEDSA-N 429.502 2.126 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H]1CSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760192681 MAVQYDVEMIQFNK-DLBZAZTESA-N 446.598 2.331 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCOCC1 1760212426 ZWXAQIMDYRMURB-MRXNPFEDSA-N 445.365 2.219 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1760295210 QCYDKWDMHMBVBH-GTCCEBARSA-N 428.558 2.274 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1760484686 HQPAXPRBJILSNG-VGOFRKELSA-N 426.496 2.039 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1760494200 JMZDTOJDEMUKNJ-XMMPIXPASA-N 447.543 2.332 30 10 IEEE C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1762716854 UYBSNBXJXBYLGZ-IRXDYDNUSA-N 431.562 2.360 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCCN1CCOCC1 1763102678 RAKWXBBJPQNYIS-UHFFFAOYSA-N 441.555 2.290 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCC2CCOCC2)cc1 1770738069 DJTJIXJSIOOAME-UHFFFAOYSA-N 438.532 2.247 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCSCC2)CCO1 1770751302 FSNHSIRNYMKWDV-GOSISDBHSA-N 448.980 2.288 30 10 IEEE COCc1nocc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1770873320 BSYLVVGGUNNOJE-KSSFIOAISA-N 442.451 2.469 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1Cc1nnc2n1CCC2 1771112170 HPZHWMLRNPPQQJ-UHFFFAOYSA-N 442.474 2.100 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC(F)F)CC1 1771534369 YSWSGNIABYXEOO-MRXNPFEDSA-N 433.463 2.005 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1772555418 XTAFCCDSCAHQNA-AUSIDOKSSA-N 433.597 2.442 30 10 IEEE N#CC1(CNC(=O)[C@@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)CCOCC1 1849917175 WPGZTQXXBRVCIN-QGZVFWFLSA-N 427.423 2.395 30 10 IEEE Cc1ccc(-n2nc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)nc2C)cc1 1852686893 BGALZKCYPUXEQJ-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE Cn1nncc1CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)c1ccc(C#N)cc1 1853417910 QXWYNSBETSEHRG-HNNXBMFYSA-N 444.421 2.246 30 10 IEEE Cc1c(CN(C(=O)c2cnc(C#N)nc2)C2CCN(c3cc(C4CC4)[nH]n3)CC2)cnn1C 1853547908 RPAWXLKULDSVTO-UHFFFAOYSA-N 445.531 2.302 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(SCC)cc2)C1)[C@@H]1CCN(C)C1=O 1857285812 WGWCJDOEAASRKA-AZUAARDMSA-N 429.586 2.435 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)cc1 1858411512 IGZMMZNRLOMPEH-QGZVFWFLSA-N 438.509 2.334 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(F)cc2)cc1 1859012382 BAGCJCUUUVGKAN-KPKJPENVSA-N 430.457 2.246 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)cc2)cc1OC 1862571625 LIVPDDVNARPOKQ-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE CSCC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1cccc(C#N)c1 1867236411 DQTHHQSCNLRSKH-SFHVURJKSA-N 446.554 2.004 30 10 IEEE C=CCn1cc(OCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c(=O)cc1C 1870089465 OIEUCHUGRVLVCW-UHFFFAOYSA-N 434.470 2.303 30 10 IEEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CN1CCN(CCO)CC1 1870367674 VMVHLWKWOJGEOH-UHFFFAOYSA-N 437.625 2.470 30 10 IEEE C=CCN([C@@H](CCSC)C(=O)Nc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O 1872039250 XTIVXGYYKSXNSS-AWEZNQCLSA-N 432.564 2.220 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874309495 YUIVLKVIGKDITI-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE COc1cc(/C=N/n2c(Cc3ccccc3F)nnc2SCC(N)=O)cc(OC)c1O 1874374757 MMNKTCDMABQIKL-AUEPDCJTSA-N 445.476 2.190 30 10 IEEE COCc1nnc(SCCCO)n1/N=C/c1cc(Br)cc(OC)c1O 1874502813 BKNRAALLPYIJQW-CAOOACKPSA-N 431.312 2.258 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1896122477 PSPOYXUFGFBNAE-ARFHVFGLSA-N 427.542 2.332 30 10 IEEE CC1(C)OB(c2cncc([C@]3(C(=O)O)C[C@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 1952894002 ZZFSNXRUDHLZGR-WZONZLPQSA-N 438.289 2.402 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1 2010148446 SJSLHVPVPWPFHN-HYBUGGRVSA-N 429.561 2.436 30 10 IEEE COC(=O)[C@H](CC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2010404232 PXNGFVIXQIEVIM-RUXDESIVSA-N 426.319 2.184 30 10 IEEE C=CCN(CCC(=O)NCc1c(I)cnn1C)C(=O)OC(C)(C)C 2015740498 NDSMWECJZRABNP-UHFFFAOYSA-N 448.305 2.454 30 10 IEEE CC(C)(C#CC(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023912288 GYSUTBDCVYAJRB-JOCHJYFZSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2049163828 XSCRKCSYOCZGKX-RBUKOAKNSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060638500 XPWILVZKVLOVEU-UHFFFAOYSA-N 432.330 2.408 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 2060818970 WEYWYWWSXZUEKU-VQTJNVASSA-N 438.532 2.222 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CC1 2124535503 MNSVMXWAPQUMHN-IZZQQSIFSA-N 449.401 2.480 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247825278 BAGPIYYMXCQLRZ-CHWSQXEVSA-N 437.371 2.475 30 10 IEEE CN(OCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2248404069 JVNVESKKIIAXEP-UHFFFAOYSA-N 425.266 2.257 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255625297 PLMVRONALIIPID-NHAGDIPZSA-N 449.382 2.346 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825500 AJZFKXJWDOXUMZ-ZDUSSCGKSA-N 434.346 2.036 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256055815 DBWXEHMOQSLNAE-AWEZNQCLSA-N 434.346 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256891151 XIRVBBFSSUCTLR-OAQYLSRUSA-N 437.321 2.304 30 10 IEEE Cn1ncc(C(=O)N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267014237 WEKWMOJGRDKNCL-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267183791 IFRJOSSGHPUSPJ-INIZCTEOSA-N 448.373 2.095 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2267187415 YGWJMDPGOUXFDF-INIZCTEOSA-N 435.337 2.455 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)n1 2267526875 YNUIRQFMSLPUBO-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE Cn1nc(C(=O)N2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267552922 WMWHXIIHHDYJEI-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c(O)cc2O)OC1(C)C 2267810176 OUCWIYLKZQRYLP-UHFFFAOYSA-N 438.333 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CCC1 2268706184 JSMMWCRCUHAZNX-INIZCTEOSA-N 447.341 2.128 30 10 IEEE N#C[C@H]1CN(C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)CCN1Cc1ccccc1 2268742943 QZIPNZJNFZZETR-QFIPXVFZSA-N 448.523 2.420 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2273767642 AIPZUSCYHJXGIF-GOSISDBHSA-N 448.369 2.450 30 10 IEEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282504131 KESHYLXZDZVGKJ-AWEZNQCLSA-N 445.412 2.256 30 10 IEEE CO[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)C[C@H]1NC(=O)OC(C)(C)C 2315388138 OTLQFOOFEIEJNO-IAGOWNOFSA-N 433.358 2.418 30 10 IEEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(NC(=O)OCc2ccccc2)C1 2365212204 PPYOVYWCKDCJPP-LVIWNVNYSA-N 436.574 2.001 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)c1ccc2c(c1)OCO2 18760655 QXFUDXCWFRXZRV-XMMPIXPASA-N 448.431 2.306 30 10 IEEE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(N)=S)CCC3)cc1OC 40824468 KMRCYZXBEGOMGB-ZVHZXABRSA-N 430.530 2.451 30 10 IEEE Cc1nn(C)c(C)c1[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 429595621 UYPBTMCRVZKDDC-KRWDZBQOSA-N 428.436 2.243 30 10 IEEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440378136 JTFHAVCOCCCHRS-MRXNPFEDSA-N 425.510 2.062 30 10 IEEE COc1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C#N 464703510 ZLFAQYAXGYVACI-KURKYZTESA-N 429.542 2.480 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C 469186326 XITBXTVXHAQTKI-IFXJQAMLSA-N 428.514 2.249 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1=O 487897930 OXOFTDXYHQTVNY-HNNXBMFYSA-N 431.294 2.367 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 504075402 LPQYAJFJVLPANZ-UHFFFAOYSA-N 434.540 2.204 30 10 IEEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2cnn(CC)c2)c1=O 523579806 HQZIWJIZGWTJEE-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE COC(=O)[C@H](CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)Cc1cccc(F)c1 526994854 USOULPOHOGWCKY-KRWDZBQOSA-N 428.464 2.358 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCNC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 558718527 WVQAJYQPOZRXFN-INIZCTEOSA-N 428.432 2.380 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 558985362 UWUSOOQNJNFRMD-GFCCVEGCSA-N 432.472 2.145 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 559815793 IYWACRYYTCMINS-UHFFFAOYSA-N 433.917 2.438 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N(CCC)CCC)nc1C 586300881 BTBKTTTZXLUXJL-MUUNZHRXSA-N 429.564 2.130 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1 602525901 CWTPULQQNLBFBV-UHFFFAOYSA-N 432.528 2.414 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 610205668 OTAKIDJWNRPAFC-JKSBSHDWSA-N 439.516 2.433 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 669817926 SPHPZRBTAYEARO-UHFFFAOYSA-N 443.577 2.182 30 10 IEEE Cc1nccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)n1 730138099 BJZGWKWVJGEXTO-GOSISDBHSA-N 444.536 2.124 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCOC[C@H]1CCOC1 731560227 RRWRUOKNWMSTHN-KXBFYZLASA-N 442.541 2.212 30 10 IEEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734292802 WHPIWISTGSARKJ-GOSISDBHSA-N 445.566 2.152 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3cc(C)ccc3C)c2=O)cn1 735069116 LXUIIMANFHYFLG-UHFFFAOYSA-N 449.580 2.150 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 749119954 ARRGLUJQVITUEA-LNLFQRSKSA-N 433.574 2.415 30 10 IEEE C#CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360672 LZSSWHZBRUKRIZ-UHFFFAOYSA-N 430.533 2.237 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC[C@@H]2C)c1 795176318 HZCAPWDHAYONON-GDIGMMSISA-N 445.589 2.443 30 10 IEEE C[C@@H]1COCC[C@@H]1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 795183176 NGQBURMXJZGKMT-INMHGKMJSA-N 438.619 2.420 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 802600332 QBADFOJKKXZBGV-OAGGEKHMSA-N 439.582 2.106 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161476 HYHVLVMXNJFCKK-RHSMWYFYSA-N 432.496 2.465 30 10 IEEE Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813983808 HZNGCJLERRCLJT-PXNSSMCTSA-N 437.481 2.030 30 10 IEEE C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 916876566 KBDYICQMDAKJNQ-JLHYYAGUSA-N 446.459 2.499 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 920113552 HSRYLAIIWYHKJE-QRWLVFNGSA-N 441.434 2.394 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(N)=O)[C@@H](C)c2ccc(CCC)cc2)c1 920252903 YRIKDHVNGJTMBM-KRWDZBQOSA-N 441.553 2.239 30 10 IEEE C=CCc1cccc(C=NNc2nc(SCC(=O)NCc3nnc(CC)o3)n[nH]2)c1O 1084280857 WNBRSPZVEROLBF-UHFFFAOYSA-N 442.505 2.039 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OCC 1132415199 KOSBNJIPSMBMGF-MRXNPFEDSA-N 446.928 2.417 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1142404336 ATXGCCLBDPEGPM-CABCVRRESA-N 438.974 2.075 30 10 IEEE O=C1NCCN(C(=O)C#Cc2ccccc2)[C@@H]1c1ccc(I)cc1 1158010349 VFCXMUOGMMCYNR-GOSISDBHSA-N 430.245 2.342 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)[C@@H](O)C(C)C)nnc12 1161467000 BEVRPFLTTNXJJW-YJBOKZPZSA-N 429.546 2.234 30 10 IEEE COC(=O)Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1F 1162191219 MZSWAFAMEGISDK-SFHVURJKSA-N 438.415 2.257 30 10 IEEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1191155583 HQRSAFBWTWYQQW-FCHUYYIVSA-N 440.569 2.155 30 10 IEEE C[C@](O)(CN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)C(F)(F)C(F)(F)F 1194326136 WRRJBCSCWJTINB-MDZLAQPJSA-N 442.347 2.483 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1197212326 MRWCBIMTRIYLLJ-SFHVURJKSA-N 425.432 2.471 30 10 IEEE CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](Cc2ccccc2)C1 1278302942 CYXXWVQOPXHCAO-YADHBBJMSA-N 445.523 2.149 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1286382679 BHRAJLFFTCAGJG-GUXCAODWSA-N 436.603 2.388 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286396980 ZNLYVOIXGQJFHB-ZWKOTPCHSA-N 434.537 2.464 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)COCCO1 1286457481 PXTAVNFLWMLTSH-HTAPYJJXSA-N 432.496 2.449 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)CC1 1286478644 HWSZDMOBFDKIGN-JOCHJYFZSA-N 429.952 2.083 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286715334 HOGICEVSJIKSFH-KRWDZBQOSA-N 448.531 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286815352 SBIVPKURDGHYIW-HSALFYBXSA-N 441.557 2.279 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCC2(O)CCOCC2)n1 1290624617 CZABRIVDWZEPOJ-UHFFFAOYSA-N 427.553 2.201 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@H](C(F)(F)F)O1 1291224833 GBJXRJZBTOMYTC-KBRIMQKVSA-N 437.422 2.388 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC=CCO1 1297272574 REVCGFWBNCBWEB-KRWDZBQOSA-N 426.496 2.497 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCOC1 1298189621 XQAMPRZKXNWLEH-IBGZPJMESA-N 440.548 2.065 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(F)(F)F 1299602214 VUWADDVHWVUKSK-BBRMVZONSA-N 436.438 2.451 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccn1C(F)F 1300457966 CMTGNNIXXXHVSB-UHFFFAOYSA-N 427.463 2.161 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccc(OC)c1)N(C)C 1300478786 BJCMWRMWYGRDGG-TYPHKJRUSA-N 427.549 2.383 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1300478867 DLLOYEDXOFIDEI-MRXNPFEDSA-N 446.621 2.109 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1300488521 SALCSEYPDXYGCX-MRXNPFEDSA-N 446.598 2.476 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1300578415 CLAILJLQMOBGKC-NRFANRHFSA-N 448.596 2.294 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1301392106 PASCTAZMRQZMHU-UHFFFAOYSA-N 430.461 2.154 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CC(C)C 1301480972 GZDHXJGGWUJURF-UHFFFAOYSA-N 447.609 2.331 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1301555241 AEAUDXYWZBAWGQ-ROUUACIJSA-N 432.546 2.015 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(COC)CCOCC2)C1 1301555469 AADRUYPOWZNTAG-FQEVSTJZSA-N 427.549 2.488 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(CCOC2)C1 1301586889 KHZYHFFZCRSDDY-QFIPXVFZSA-N 430.574 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C#N)cc1 1301587001 LDTRYMWASOLVTF-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCCC1=O 1302287556 YLVYHXIKLRIFCL-JLMWRMLUSA-N 448.543 2.237 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1303887190 GKUQCILCQOHJRX-LSDHHAIUSA-N 438.529 2.187 30 10 IEEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cs1 1306040080 VJBLTNXYNKBAJN-OAHLLOKOSA-N 437.529 2.108 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315717289 PEKWMDJZHGZARE-VGVBMJIYSA-N 440.504 2.234 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1315817937 XRRQOAWWBJVBSL-TZIWHRDSSA-N 442.539 2.350 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1316201301 MKLBZAMVCWXUQG-INIZCTEOSA-N 444.536 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1358885474 KXMSQRLVLSBALB-INIZCTEOSA-N 449.559 2.295 30 10 IEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1358915948 VGTGICAANKVRNH-HXUWFJFHSA-N 436.560 2.431 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2c(C)noc2C)n1 1359028054 FVFPEACYXNMYKE-HXUWFJFHSA-N 439.520 2.265 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1359064716 YTUITPMVGZYTCO-DBXWQHBBSA-N 436.626 2.002 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1359069737 WNHYNOYUJLLUEK-ZUGUERCVSA-N 425.558 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359104619 DJUDPHSTVFKJJE-SFYKDHMMSA-N 447.580 2.002 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1359336174 HJGPRXNPEJIUTI-MRXNPFEDSA-N 428.562 2.378 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359340542 QRRKOXWNNDBUNT-KRWDZBQOSA-N 441.561 2.026 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](CO)Cc3cccnc3)C2)C1 1449037848 ARWXTUDKXOZXNG-QTSFNNJRSA-N 428.533 2.136 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F 1449375353 RYKSWYZFVWXLOK-UHFFFAOYSA-N 439.509 2.323 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)c2ncon2)ccc1F 1452560526 IFARMNCSVZCYBY-QGZVFWFLSA-N 430.461 2.387 30 10 IEEE C#CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1465238085 PPMZRZLQIWVYPU-UHFFFAOYSA-N 434.562 2.231 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 1476042078 ZDBVZQVPRRVJJO-LJQANCHMSA-N 446.515 2.339 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1501092827 GHYXJSFIGIGKSC-YADARESESA-N 449.559 2.038 30 10 IEEE CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1502093338 CSMJBODOZXXZJH-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CCN1CCN(CCCn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1502357853 DNOLVIXVOLQUOJ-XMMPIXPASA-N 436.608 2.422 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1502375817 OUBFNXVTFLEFKM-IAGOWNOFSA-N 438.488 2.093 30 10 IEEE COC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1504587848 DJNWZMBBKJZZHF-YADHBBJMSA-N 448.527 2.375 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1505314460 DPAYYFAMEDSKFA-JTSKRJEESA-N 444.486 2.112 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@@H]4CCOC4)n3CCOCCCO)CC2)c1 1505318326 VMYSNUGXQGKEQT-LJQANCHMSA-N 441.532 2.100 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507532164 CGIJWDMSWKCOBW-UWVGGRQHSA-N 429.834 2.141 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@H]2C)c1 1507549649 JZFDHLCLZKEVRJ-MJGOQNOKSA-N 447.543 2.407 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(C)=O)CC1 1507570000 LFNSZXZDJTZAPL-UHFFFAOYSA-N 442.589 2.426 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1507587940 BRESABVIQZQJSF-WOJBJXKFSA-N 443.573 2.018 30 10 IEEE C#CCCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507599958 VRHOKMJOLALCRK-MFEFFIJZSA-N 442.564 2.321 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1507629571 UOUILADPQIRWBI-RBUKOAKNSA-N 441.582 2.339 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1507631301 NTHFHRYUOQGHPJ-SFHVURJKSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(c2ccccc2OC)C1 1507637304 JELZWNOLNDCJRB-IBGZPJMESA-N 434.544 2.024 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1507746619 DTEWPJPJXIZVNW-UHFFFAOYSA-N 437.573 2.380 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1507848474 YEZFOHUTZUSSEI-GJZGRUSLSA-N 431.459 2.149 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507856599 CMDHVUINRMVJTO-CVEARBPZSA-N 446.943 2.131 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1508018218 AXCFNXJKBSJMFK-SFHVURJKSA-N 435.594 2.151 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1508080233 MKZIHNBHINJMFK-CVEARBPZSA-N 443.552 2.315 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1513198215 LCVHFXJEAZDKTD-FFZOFVMBSA-N 439.539 2.384 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1517865693 MFGFLOWYYIBLEM-QXAKKESOSA-N 440.552 2.177 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN(S(=O)(=O)Cc3ccccc3)C1)CC(=O)N2 1528041773 BLXVQAVVYLIATL-SFHVURJKSA-N 438.509 2.085 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CCCN2C(=O)CCC2=O)c(C(=O)OCC)c1C 1532545142 JOYNCAUZRDMBDJ-UHFFFAOYSA-N 436.486 2.444 30 10 IEEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)OCC 1535344665 FRUKMYHOOYMYIE-KRWDZBQOSA-N 428.938 2.278 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1539068601 YEKDUGQKFMFVQI-KRWDZBQOSA-N 435.536 2.367 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539205568 IWCLZMRYPLFJSC-SFHVURJKSA-N 446.573 2.132 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOC1=O 1539326753 ZSGWDUGHYNZFLM-HXUWFJFHSA-N 435.484 2.096 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)F 1539415485 DPSPJQOPFCYAAR-AWEZNQCLSA-N 447.458 2.235 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1539513096 LULMVDWFEKNGTQ-UHFFFAOYSA-N 446.584 2.239 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1539542227 WMIZGNXHPOLUDW-PTUXOGIPSA-N 431.581 2.032 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NC 1540128541 NIWDEDWUXFSVPF-UHFFFAOYSA-N 432.532 2.340 30 10 IEEE N#Cc1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1Br 1540549287 IRQGSDIOJGMJBP-GOSISDBHSA-N 427.302 2.305 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@]1(OCC)CCOC1 1540909065 WKNOJRVGICDPDN-KXBFYZLASA-N 448.536 2.013 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1541086757 GBPISNFQJCVUBT-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCc1ccco1 1541158567 FFYOKMLHTFAVFY-UHFFFAOYSA-N 448.531 2.078 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 1544486786 MAEWYOQPTYXNNL-LPADLIQXSA-N 439.468 2.274 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1546856206 JIECFHFOSWICHM-ZBFHGGJFSA-N 431.928 2.275 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1555070325 HHXYTKRKHTYFSV-CVDCTZTESA-N 442.539 2.166 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)C(=O)OC 1556375185 CLBNYZXQURQGID-OWSLCNJRSA-N 440.537 2.042 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1)c1cc[nH]n1 1557426330 XIZUPRUJMOLHSN-UHFFFAOYSA-N 436.509 2.054 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2cccn(CC(F)(F)F)c2=O)cc(OC)c1OC 1584302873 SXESZHNCCVJCPM-CYBMUJFWSA-N 425.363 2.431 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1587581202 XRJGITWQKLQONO-CVEARBPZSA-N 432.546 2.245 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1587766250 RGGZLIPDDMUGTE-RTBURBONSA-N 430.578 2.330 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588040553 OJRRZKSMTXUNKS-MOPGFXCFSA-N 445.589 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)[C@H](C)CC 1588099481 OBTWHLULYZVSQY-YLJYHZDGSA-N 428.558 2.483 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1588848881 PORGQDKYCUVWFO-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnc(C)s2)CC1 1588864215 AHFLJHYBDOKCCJ-UHFFFAOYSA-N 433.541 2.297 30 10 IEEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCCCC1 1597381176 NCLDYOMBXQTPRW-KURKYZTESA-N 438.590 2.499 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1611256983 SSYRSPSBWQAELS-MMYRVIJDSA-N 426.477 2.099 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCSc1ccccc1 1611686397 GDMHUGYSIQWOHZ-RDTXWAMCSA-N 438.554 2.123 30 10 IEEE Cn1nnnc1SCCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132708 WTJGJICTYBWIOS-BQBZGAKWSA-N 439.332 2.322 30 10 IEEE N#C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccccc1Br 1618520681 ZCUPZSXAMFDQPI-HOTGVXAUSA-N 427.258 2.271 30 10 IEEE CO[C@@H](Cc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1618952265 FJUHCQJYYKKIHF-PGRDOPGGSA-N 426.496 2.214 30 10 IEEE C#Cc1ccc(S(=O)(=O)NC[C@@H](Oc2ccc(Br)cc2)C(=O)OC)cc1 1622119900 KBKKKUJPGSRWRG-QGZVFWFLSA-N 438.299 2.329 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1624178468 VCRBPGXOCWHZNX-YEWWUXTCSA-N 433.892 2.039 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCCCCC1 1628386322 TYOYAKOTHDRAOV-DMEQXSTQSA-N 434.537 2.493 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ncc(C)s2)c1 1632528384 MGEPQBYVTQGRHE-INIZCTEOSA-N 449.579 2.402 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(-c2nc[nH]n2)c1 1635376829 GQUDHGAMZWFECY-UHFFFAOYSA-N 428.449 2.068 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@H](COC3CCC3)C(=O)OC)ccc2c1=O 1636220774 HCGFKYZWOHVYHH-QGZVFWFLSA-N 431.514 2.054 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1639600393 FHMWMZCCVJWRRM-OPKDYIGXSA-N 432.521 2.199 30 10 IEEE N#CCCN(C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O)c1cccc(Cl)c1 1641148231 FUSOBFCYIJXPAH-UHFFFAOYSA-N 439.903 2.152 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C1CCOCC1 1641858522 QNLGPZXLZAUMGM-FQEVSTJZSA-N 444.509 2.360 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1649545391 XFGKQOIZMRHAQU-AWEZNQCLSA-N 447.337 2.209 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1650672058 FOLOPDGQIXFUGY-AJAORCOTSA-N 431.414 2.127 30 10 IEEE C#CCN(C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1652832426 IKTQUOHKKOHODD-OALUTQOASA-N 436.574 2.426 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](C2CCOCC2)C2(CO)CCC2)CC1 1654811199 FMCYDJNXDWQIGZ-KNQAVFIVSA-N 446.617 2.004 30 10 IEEE CC(C)(C)NC(=O)CNC(=O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655767585 RKIWNPCGZRLACJ-RKDXNWHRSA-N 439.347 2.120 30 10 IEEE Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3CC#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1669902795 DHSGWTDHBBJRMK-ZWKOTPCHSA-N 445.545 2.168 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1675987597 PONNLEUHIILPQQ-HXUWFJFHSA-N 445.564 2.222 30 10 IEEE COc1cc(CNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)ccc1C#N 1682153822 JCGZZTVEULVEIB-AWEZNQCLSA-N 430.262 2.087 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2Cl)C1 1686054723 CGNVXOILXZBMRF-WQVCFCJDSA-N 435.912 2.315 30 10 IEEE C#CCCCCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1689906551 NTVDWKYSHDGBLD-REWPJTCUSA-N 431.581 2.427 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689980838 YCWWCLUWQQSHPQ-GOSISDBHSA-N 445.589 2.433 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1689992575 MEPCXUZWAUCCPT-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1690020036 XMHZFOQHQPAPAS-JOCHJYFZSA-N 433.556 2.112 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@@](C)=O)CCC1 1690051009 JNOLKDIOFFEHAS-WJOKGBTCSA-N 434.569 2.281 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=C)Br)CC1 1690119408 DTMYNNRCFJRPHS-UHFFFAOYSA-N 444.333 2.380 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1 1690622496 QPUBZYBHDTVAHD-NSHDSACASA-N 430.456 2.392 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690655365 QMYBNKJTKGXASP-UYAOXDASSA-N 430.597 2.127 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690742517 STWAGKWRZRFLQR-ZSDSOXJFSA-N 448.593 2.252 30 10 IEEE C[C@H]1CN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCO[C@H](C#N)C3)cn2)CCO1 1693745958 HLZWEGARSGYOOJ-PKOBYXMFSA-N 439.564 2.264 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697660696 MYCIRPRGCIYYFO-RLBWVDARSA-N 440.479 2.226 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1698062714 GGSDMIXLGKUERH-RXVVDRJESA-N 446.577 2.338 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1705476810 FNYJMXJCWIPRNE-KSZLIROESA-N 448.593 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705496241 CBGZOKFCOQJBEE-FUHWJXTLSA-N 429.952 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1705503548 YGQBWHPIEHXDPQ-KYAFNBKBSA-N 448.527 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)cccc1OC 1705599230 WNTDGRXOMXLESL-MRXNPFEDSA-N 446.960 2.353 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1705612356 FOQZVODTKRZCTC-ICSRJNTNSA-N 445.589 2.183 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnccc2OC)CC1 1705642624 AVVKHWXJYFQFFM-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1705704267 RPTOEVMMAZMLKC-KDOFPFPSSA-N 447.494 2.153 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1705908210 KXWZTRNFERJHJW-SFHVURJKSA-N 437.544 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(F)(F)F 1705932343 CBAGQWYZDCUGSM-UHFFFAOYSA-N 432.424 2.273 30 10 IEEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1706182266 AKMPUNOHBPJXJN-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)o1 1707489889 GYIKOCJFVRJLAV-HSZRJFAPSA-N 436.516 2.333 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)C1 1712688817 DQWMGNQULYSIKZ-MRXNPFEDSA-N 439.488 2.459 30 10 IEEE C#CCCCn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1722338867 NSARUNDOBAFPQV-HSZRJFAPSA-N 425.533 2.467 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1c(C)noc1C 1722380049 BGNNEVBSLJMTCS-UHFFFAOYSA-N 441.495 2.112 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1722436643 JSRXMAWRVKCVOY-SFHVURJKSA-N 446.596 2.231 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1722566646 WEWUFAIGFSXVJP-WOJBJXKFSA-N 430.597 2.271 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722743483 ZSHWKOOITQIXHN-IEBWSBKVSA-N 438.557 2.363 30 10 IEEE CC(C)Cc1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723279946 BGALOUPURZVOPF-MODMUFLJSA-N 428.537 2.008 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1730891545 RCRGGPVYKGQGFV-FQEVSTJZSA-N 436.520 2.130 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740542616 AJVACFCKHWLZDG-WIYYLYMNSA-N 438.576 2.354 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCS(=O)(=O)CC1 1740546974 MICVKWUTELTIQB-KRWDZBQOSA-N 438.557 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(CC)C1 1740953971 XYBLZNSAVNGCBW-SFHVURJKSA-N 437.342 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1CC(F)(F)C1 1740954617 CJGWEFVRRUVKDL-UHFFFAOYSA-N 433.459 2.500 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1741001330 RNCYXUSISGPEQB-UHFFFAOYSA-N 446.577 2.278 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1741001713 BOLXNSKSMGRAFB-IKGGRYGDSA-N 426.608 2.105 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C1 1746552250 FZRRILYEJAKIOY-IBGZPJMESA-N 446.577 2.293 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1748639051 BFLIYPHETJDQFS-STQMWFEESA-N 425.942 2.057 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNS(=O)(=O)CC 1748639981 ORMIWWDVUFFEHH-WMZOPIPTSA-N 433.578 2.432 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)nn2C)c1 1748693128 YNATXCMFVVLPKX-LJQANCHMSA-N 447.543 2.319 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1748818881 HKZFYZQXRDQFFK-GHTZIAJQSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(C)c1 1748892719 VZYYIMYKRKDJPP-WOJBJXKFSA-N 440.569 2.419 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCC)c(OC)c2)CC1 1748993965 SEYFNNQPNHHWRM-UHFFFAOYSA-N 446.555 2.475 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)c2ccccc2)CC1 1749001461 SAFBPBCHAGAQHL-BDTNDASRSA-N 439.560 2.145 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749198586 NFDVNTODWKQTNF-HXUWFJFHSA-N 429.550 2.024 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@H]2C1)c1ccccc1 1749242467 JJQWEXONQBEBID-MJGOQNOKSA-N 427.505 2.356 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1749430595 RBNQZJNCGTVKHV-IAGOWNOFSA-N 448.568 2.220 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749457181 OVLFDQZECPDRHY-SFHVURJKSA-N 431.516 2.368 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1749597161 AEKNMOBSCJRWSY-HOCLYGCPSA-N 430.578 2.498 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1749953496 KWCUOHHHMSHIPC-KSFYIVLOSA-N 444.511 2.194 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1751090337 BCMYZGPZESWRGL-ZIFCJYIRSA-N 443.577 2.283 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)S(=O)(=O)CC 1760166734 ORVUFMOOWAOPLK-UHFFFAOYSA-N 427.933 2.479 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1760182317 IFIGMZYSYYMIOS-LJQANCHMSA-N 444.601 2.478 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760184183 WMCGQJDZNLLDQU-LJQANCHMSA-N 443.573 2.209 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC(C)C 1760224733 XLOAATDSANNBES-UHFFFAOYSA-N 430.940 2.236 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1760264890 YLNIGASCYDKEAA-SFTDATJTSA-N 434.544 2.035 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOCC1 1760335656 PIRNIRNDDFUBRS-CTNGQTDRSA-N 426.565 2.398 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1760360531 FPGYAZIKUZTCDD-GOSISDBHSA-N 431.500 2.354 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)CC1 1760389798 ULAWANGJAQIICK-HNNXBMFYSA-N 435.516 2.221 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1760448869 RWGNJMPYEBPJJQ-UHFFFAOYSA-N 425.537 2.495 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1760568763 RUVMKYWBHASCED-XMSQKQJNSA-N 449.621 2.441 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1762025540 VUBXBJGCGPIGTO-PMACEKPBSA-N 427.505 2.090 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1764457557 ZTTMBOKQAKSZJR-OALUTQOASA-N 437.596 2.482 30 10 IEEE CCOCc1nnc(N2CC[C@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766297474 GGQVNXPJPMENHS-ZREAOVPFSA-N 436.516 2.335 30 10 IEEE CN(C)CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1766931594 HKLFJQZCYRMHMC-LJQANCHMSA-N 435.532 2.001 30 10 IEEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1768067475 BCZNTVGKLOGZCK-UHFFFAOYSA-N 448.531 2.220 30 10 IEEE CN(C)CCOCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1768518044 GNVDGXFXQYBITH-HNNXBMFYSA-N 449.353 2.015 30 10 IEEE COCc1nocc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1769392815 QEKNJDZJKZPQIK-GOSISDBHSA-N 438.488 2.385 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1770110371 RDGOWHDNFZRIBJ-UHFFFAOYSA-N 436.520 2.118 30 10 IEEE COc1cc2nc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc(OC)c2cc1OC 1850575090 PZCGDRLSJHQIGB-UHFFFAOYSA-N 433.468 2.490 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cn(CC(=O)OCC)nn3)ccc21 1851110126 SIEHNUZRKAGDFU-UHFFFAOYSA-N 427.461 2.031 30 10 IEEE N#Cc1ccc(NC(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)c(Br)n1 1851160669 NUTJGENTVGNMFV-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE CCOc1ccc(CN2C[C@@H](C(=O)Nc3c(C#N)c(C)nn3C)CC2=O)cc1OCC 1853395581 ROWYUAUMXVYNJO-INIZCTEOSA-N 425.489 2.385 30 10 IEEE Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)C(C)(C)C2=O)c1 1854462927 WRXWUYMVPQXOIP-UHFFFAOYSA-N 425.510 2.248 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1 1854719100 OLPNWJQNCUFDHY-OAHLLOKOSA-N 429.473 2.078 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C1C(=O)CC(C)(C)CC1=O 1854899946 OYQBYWQHBKERGW-ZDUSSCGKSA-N 429.904 2.406 30 10 IEEE CCCc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856596668 IHCVOEALKCIZMN-IBGZPJMESA-N 433.530 2.094 30 10 IEEE Cc1ccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857027065 UOAHCHKEGGROAQ-FQEVSTJZSA-N 431.558 2.177 30 10 IEEE N#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)C1CC=CC1)CC2 1857231535 DXAUTHJQAKLDBL-KRWDZBQOSA-N 425.510 2.383 30 10 IEEE Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(NC(=O)c4cccc(C#N)c4)cn3)ccc21 1858277617 FQKNDJLSHSIAID-UHFFFAOYSA-N 449.448 2.451 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1862169441 UYEQELYMURBEQI-VQTJNVASSA-N 429.586 2.474 30 10 IEEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(O)c2)ccc1F 1862502498 BJEPYZYYXUWCKO-IBGZPJMESA-N 428.416 2.260 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCc2cnc[nH]2)=C(N)Oc2c1c(CC)nn2C 1864323137 DGLJPTVESRWIDS-LJQANCHMSA-N 448.527 2.324 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CCC)CCC)cn1CCNC(C)=O 1870463251 HMKRXWRACJOTEU-UHFFFAOYSA-N 446.592 2.186 30 10 IEEE C#CCCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390913 MDTBCEIHTZZEHC-HXUWFJFHSA-N 427.478 2.416 30 10 IEEE O=c1ccc(C(F)(F)F)nn1CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F 1890207119 KXPNSFQCSQSBDC-UHFFFAOYSA-N 433.305 2.399 30 10 IEEE C=CCC1(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1908216165 HWLCNVPRLHQLAW-CVEARBPZSA-N 439.553 2.144 30 10 IEEE BrC#CCn1cnc(I)c1I 1953317884 XQZYLSJNSSMSMV-UHFFFAOYSA-N 436.816 2.448 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2009972819 SCKJAFRNVRLNHJ-HUUCEWRRSA-N 441.525 2.378 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060635538 MVJMMOZWXYPYAO-UKRRQHHQSA-N 430.314 2.184 30 10 IEEE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCN 2186639198 YKLZTSDEAIKJPQ-HNNXBMFYSA-N 445.566 2.115 30 10 IEEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2195274402 XDVDQFVRHQMDFQ-NEYJZJCJSA-N 439.530 2.277 30 10 IEEE Cc1cnc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224118382 TXVOIQPEUMNDEW-DLBZAZTESA-N 433.358 2.471 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCO1 2255379503 MWHDPXOTSSPJRO-HOTGVXAUSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255818834 QUHVSECPWZVECZ-CABCVRRESA-N 435.305 2.305 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255835914 ZLIZZMKKOXMKON-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H]2C[C@@H]21 2255845466 BWNARIPASDLIFB-ZOBUZTSGSA-N 431.342 2.442 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256623979 JCUOZADIYBSLSU-UHFFFAOYSA-N 432.326 2.327 30 10 IEEE COCCN(CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2256627003 QMZOLFUVQGZLQR-UHFFFAOYSA-N 435.330 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256682224 WMSKKIQVFKKEQQ-INIZCTEOSA-N 438.305 2.339 30 10 IEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267145951 JYKVWKJFUANVED-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267178153 YCQLWBPAPHHJEQ-UAGQMJEPSA-N 443.353 2.427 30 10 IEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267183486 NQQAFLLFTCCHKC-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267272211 XRVDIPCRZIPWDR-IBGZPJMESA-N 436.365 2.370 30 10 IEEE Cc1sc(C)c(S(=O)(=O)NCCC2(C)OCCO2)c1B1OC(C)(C)C(C)(C)O1 2267468800 NAYGFGJJAPCQJJ-UHFFFAOYSA-N 431.385 2.096 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267871510 BLDPWDFTYWLCDN-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268702013 GZBZSDKFEWFZEW-QGZVFWFLSA-N 448.369 2.266 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]3(C#N)CCSC3)cc2Cl)OC1(C)C 2282314387 YVYGCAYYJPVQAA-HNNXBMFYSA-N 434.801 2.378 30 10 IEEE CSC[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282424569 DOMCUXQDJNYINT-HNNXBMFYSA-N 441.833 2.093 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)c(OC)c1 2296936221 HFXPEODAEOJKGG-SFHVURJKSA-N 428.397 2.026 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccc2F)C1=C(O)c1cccc([N+](=O)[O-])c1 2296938436 OIDRTGZOXLVDPE-GOSISDBHSA-N 430.388 2.165 30 10 IEEE CC(C)(C)SCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 9796353 WUGNSADIRTYODM-UHFFFAOYSA-N 427.548 2.171 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)cc1 20292887 OADLYTXMQNWAKC-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 29076376 RGKICRXRNSZRJY-QGZVFWFLSA-N 439.537 2.347 30 10 IEEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)s1 103223285 BSPXXXKSHPIBSD-VZCCSQPZSA-N 442.541 2.299 30 10 IEEE CC(=O)OCC(=O)[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]34O[C@H]4C[C@@]21C 120718602 ZSDUSKSIXJMQRS-MZNUBVBSSA-N 432.488 2.483 30 10 IEEE CCCN[C@@H](C#N)CCn1cnc(I)c1I 304429614 QTSIOEJCEPLSGO-MRVPVSSYSA-N 444.058 2.374 30 10 IEEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)N[C@@H](C)C(=O)N3CCCCC3)c2c1 428284465 FHDBFTBCPNGCMW-AWEZNQCLSA-N 426.473 2.020 30 10 IEEE COc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c(C)c1OC 434973225 SDKCIFPIVKCOQW-CYBMUJFWSA-N 426.477 2.425 30 10 IEEE COc1cccc(F)c1[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466122908 MHIUAYWSAXJFTG-HNNXBMFYSA-N 446.504 2.483 30 10 IEEE Cc1cc2c(cc1C)[C@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CO2 471367470 UROBWTKTLYPGPO-LJQANCHMSA-N 425.510 2.184 30 10 IEEE CC(C)C[C@](C)(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 476296817 AAVIWDBJSXKKDL-OAQYLSRUSA-N 446.529 2.019 30 10 IEEE COC(=O)C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(OC)cc1OC 480686676 DSNAHGYTWNHBCM-GOSISDBHSA-N 436.461 2.438 30 10 IEEE CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 484297176 SSZMWAFFGMZVGV-RCZVLFRGSA-N 440.588 2.319 30 10 IEEE CCOC(=O)c1cnc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)s1 506729264 DZQLGSYWMFGMID-FQEVSTJZSA-N 436.534 2.230 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(F)cc(F)c3)c2=O)CC1 533689613 JZJTXJWZEHCASQ-UHFFFAOYSA-N 443.519 2.327 30 10 IEEE N#CC1(c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cc2)CC1 539647266 CFVNDAHCFUXJSZ-UHFFFAOYSA-N 440.481 2.297 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(C(=O)CCc4ccccc4)C3)CC2)n1 544857560 SKWNPKSHXRGBLS-OAQYLSRUSA-N 432.528 2.019 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CCC3CCCCC3)n2C[C@H]2CCCO2)CC1 566691780 LOWKZGCMABBLCI-OAQYLSRUSA-N 444.624 2.394 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 572810045 NOQPAZFYQGYRPZ-YJBOKZPZSA-N 449.552 2.450 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 603591263 RLIHZJHXHADONI-UHFFFAOYSA-N 434.905 2.200 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 603798218 KTCBMTKLTSXZCD-IBGZPJMESA-N 445.544 2.047 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)CC1 604198167 YWFYRKGKWHJPIQ-HXUWFJFHSA-N 427.593 2.279 30 10 IEEE O=C1N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CC#Cc1ccccc1Cl 676559900 OUFZCVGPEBHWKG-FQEVSTJZSA-N 432.860 2.455 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 680517845 PNMDRSXOIUSIJH-UHFFFAOYSA-N 444.539 2.053 30 10 IEEE COC(=O)CN(Cc1ccc(F)c(F)c1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 731025329 QWRCVHVLQGFOPJ-JOCHJYFZSA-N 442.422 2.236 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(-c3ccccc3C#N)c2=O)cn1 732562900 NUZZJXAJVPAFIC-UHFFFAOYSA-N 431.521 2.105 30 10 IEEE C#CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 733288029 ZSIZZULHSNIAMK-FQEVSTJZSA-N 440.481 2.105 30 10 IEEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 755202682 LTVPSCQIGWONGJ-NEWSRXKRSA-N 449.573 2.080 30 10 IEEE Cc1cc(N2CCN(C(=O)COC(=O)Cc3ccccc3CC#N)CC2)nc(C(C)C)n1 777164760 WKFSUGUTBVFOHA-UHFFFAOYSA-N 435.528 2.409 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 778737906 GVSGTUBPXQCAJC-FQEVSTJZSA-N 441.509 2.274 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 792750034 WSTXVIMLNJQUAJ-KXBFYZLASA-N 446.573 2.115 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@]3(C(=O)OC)C[C@H](OCC)C3(C)C)ccc2c1=O 797755325 CQSUPYLLEUOZLO-AOMKIAJQSA-N 445.541 2.348 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 798044422 MSUDOPQQSKIYEJ-UHFFFAOYSA-N 430.461 2.440 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3N3CCCC3=O)cc2C1=O 800716763 LACJWVZHIKGISG-UHFFFAOYSA-N 447.447 2.391 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc1 1083892543 LBJROWLPTGVMMT-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3c(nc2O)CCC[C@@H]3O)cc1 1141821217 MRIYWDYDXUQFHB-SMKFHGBISA-N 444.513 2.222 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCc1ccc(CC#N)cc1 1143226653 HACCPUXJMQYZRZ-UHFFFAOYSA-N 428.558 2.221 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 1148435158 IQNHDXQMOQFBHE-AEGPPILISA-N 425.917 2.066 30 10 IEEE C[C@@H]1CN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCO1 1154162346 LFPRNCITJNUMSB-SUYXUUSGSA-N 434.581 2.390 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCC3(S(C)(=O)=O)CCCCC3)ccc2c1=O 1161650420 PPNJMJRWBOWPGQ-UHFFFAOYSA-N 435.571 2.349 30 10 IEEE CCn1cnc2c1CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1178757066 KKNYLWAJIMFTLV-UHFFFAOYSA-N 429.546 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1286417073 WGCPYLOJZMMXHR-UHFFFAOYSA-N 444.582 2.229 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1286439818 DWZUSPOXHXQEGB-UHFFFAOYSA-N 437.504 2.023 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286504903 SKJINSOSAVYODK-HOTGVXAUSA-N 448.593 2.041 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1286509707 AAXXJIUIOBBUHG-UHFFFAOYSA-N 445.545 2.121 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286525304 UFPAAAKYFSHGPJ-DENIHFKCSA-N 445.564 2.424 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1286539944 GLIZPXVWGDMGMQ-LJQANCHMSA-N 434.338 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286546212 HIZCFNKNPVAAAM-MSOLQXFVSA-N 446.596 2.092 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C1CCC1 1286725657 XUQPBRCQTSCGGC-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC(C)C 1286746812 GAGZKCPOVBWEFZ-SFHVURJKSA-N 428.512 2.476 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1286758285 JAKCPUSRRYXWTP-FQEVSTJZSA-N 445.589 2.341 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Cc3ccc(C)cc3)CC2)c1 1292534801 ARMUQNGJCUKPKR-UHFFFAOYSA-N 438.549 2.319 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1297206332 AWFGFAMSQRRZNN-MAUKXSAKSA-N 430.475 2.208 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1297586403 JIORDYFEMMOOLN-HSZRJFAPSA-N 440.548 2.066 30 10 IEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300488419 DTYPEMUECBSYDW-AEFFLSMTSA-N 439.541 2.155 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)C1CC1 1300649169 LMXAPESZUNFJFW-QHCPKHFHSA-N 425.533 2.394 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCCC2)nc1 1300673555 PACBNRVUHDZPQY-UHFFFAOYSA-N 431.544 2.393 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)c(OC)c2)CC1 1300684011 VWOQHFUHGSALNG-LJQANCHMSA-N 427.549 2.123 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300762459 PZWTXGPIKSXMJO-NRFANRHFSA-N 430.578 2.117 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)N1CCOCC1 1301218746 SYSBQHGHAXDFGC-UHFFFAOYSA-N 435.532 2.392 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301492049 WEMWMUHANPQLHR-HNNXBMFYSA-N 425.468 2.462 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(c2ccnn2C)CC1 1301505939 CRBVVSDILORQPI-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1301586186 QSMVBAXUQSKEBE-UHFFFAOYSA-N 440.573 2.345 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301610298 UWSSBFNXUDPNEV-UTKZUKDTSA-N 431.537 2.385 30 10 IEEE CS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1 1302471729 YKASZYKBDDFUAS-OAHLLOKOSA-N 433.444 2.382 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1302825208 GKPPLDALEWRUQL-OAQYLSRUSA-N 426.546 2.341 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1303011165 DRVJDLDVEPMYOA-LJQANCHMSA-N 438.532 2.438 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c(OC)c1 1303386398 YXEYBUOSWYRLDD-VAMGGRTRSA-N 430.545 2.461 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CCCCCO 1305123696 XRIYZNROKPQTBF-SFHVURJKSA-N 432.532 2.484 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNCc3cc(C#N)ccc3N(C)C)cc2)CC1 1308242991 UEZUKBGLKRUZBL-UHFFFAOYSA-N 449.599 2.499 30 10 IEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)CC1 1313999730 QUAQFWGZLZDUJX-UHFFFAOYSA-N 443.577 2.333 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@H](OCCOC)C3)n2Cc2ccc(C#N)o2)CCOC1 1314132567 XQJADLLCAMOZQE-XMSQKQJNSA-N 445.520 2.075 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1314802982 DYAGOLVPPYMPOV-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1358894375 NEXLARNOHBCUGW-ZWKOTPCHSA-N 434.544 2.303 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCCC2=O)C1 1358915498 FNFRVEVQVRWFPT-KRWDZBQOSA-N 440.573 2.274 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 1358929714 GIDXHXJJYVHFHH-ROUUACIJSA-N 449.602 2.427 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358943774 VOEFUWMKMUQSJF-UYAOXDASSA-N 443.573 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1358986182 PICCKVBUPAXGET-HUVFLSCGSA-N 442.560 2.121 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1358994695 UIODOHCOBPMHGV-JOCHJYFZSA-N 449.555 2.364 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359013108 KXHQRULJFQDHCB-HXUWFJFHSA-N 448.575 2.268 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1ccc(NC(C)=O)nc1 1359025494 QKVHIPZOSQUODK-UHFFFAOYSA-N 436.491 2.496 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1359029158 QGSWWAYAKJNALM-HSZRJFAPSA-N 436.604 2.162 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc(Cl)cn2)CC1 1359036605 BHIRCQFDPLEKGP-UHFFFAOYSA-N 445.905 2.452 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)[C@@H](C)CCC)CC1 1359037113 WHTJZCVKLMGELY-IBGZPJMESA-N 440.567 2.316 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359053914 DPNPOSIDNOTIND-UYAOXDASSA-N 426.590 2.254 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(C)C)CC1 1359165155 IRFOFEWCVNURAJ-KRWDZBQOSA-N 443.639 2.157 30 10 IEEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359180671 NVBMKWDWHCDEIR-QFIPXVFZSA-N 430.574 2.015 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359189325 HGVGSNUWCFFBKZ-XDNAFOTISA-N 437.610 2.448 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1359215463 BYWZIIFFBSPJBZ-SJLPKXTDSA-N 435.550 2.164 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCO[C@H](C)C2)CCOC1 1360347297 GFEOERDTHUSXII-VQQMMKBISA-N 433.553 2.253 30 10 IEEE C=CCN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 1435069045 MTJFNMDIKJNDMN-OCCSQVGLSA-N 427.320 2.077 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1 1441223787 LZZLADGLPLDSEH-SFHVURJKSA-N 444.532 2.214 30 10 IEEE CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)C2)ccn1 1450639515 FVHKSPQKMMZYOP-HXUWFJFHSA-N 444.495 2.491 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1C 1452947158 JPROAFDKOHBWOC-FQEVSTJZSA-N 429.542 2.262 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(Cc2c(F)cccc2F)C1 1465537678 UAFBHLOOGZEROD-UHFFFAOYSA-N 433.480 2.485 30 10 IEEE C=CC[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1468943560 CUVJPGFNNQBORZ-MRXNPFEDSA-N 437.562 2.465 30 10 IEEE N#CC[C@]1(O)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1469404725 HLQUJAXATIILMI-KDOFPFPSSA-N 425.272 2.075 30 10 IEEE CCOC(=O)[C@@H](C[C@H]1CCCO1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1473784189 OLDPBULWSZBXNE-QZTJIDSGSA-N 426.435 2.264 30 10 IEEE CC[C@]1(C(=O)OC(C)(C)C)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1473847405 GESYQPRZHYNHCI-QHCPKHFHSA-N 445.564 2.337 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)Nc3ccc(C#N)cn3)C2)C(=O)C1 1476931961 GKROFLISRFWCCF-MRXNPFEDSA-N 428.493 2.029 30 10 IEEE CN1CCN(CCn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1503686060 JSYITDSOZLZQDJ-OAQYLSRUSA-N 431.585 2.398 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1504787269 UJVQNWKSXOFTGM-WMZHIEFXSA-N 441.532 2.397 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507593569 CASLHDDJSRIKTL-UHFFFAOYSA-N 426.590 2.088 30 10 IEEE C#CCCCn1c(CCOc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507593665 SOKUBBXOQUQSEJ-UHFFFAOYSA-N 445.589 2.173 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccs1 1507701477 ILTWCHPBPPPKJJ-INIZCTEOSA-N 445.545 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507736665 PCPASTAYFWHMHV-OAQYLSRUSA-N 437.592 2.359 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507842536 IWJALIBUPVQRLA-FQEVSTJZSA-N 426.565 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ncn(C)n2)C1 1508113520 HECZRIGEOFOAOH-AWEZNQCLSA-N 447.341 2.004 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCSC1 1509659947 WSQXRZPRNGEOPD-AWEZNQCLSA-N 441.561 2.094 30 10 IEEE Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)cc1 1510946058 AGMTZROJXQDBOG-UHFFFAOYSA-N 447.499 2.410 30 10 IEEE CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1514169373 RFSMCFBERFUCOQ-ZBBYCGENSA-N 442.545 2.072 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1515478674 OKPUSPIEJMVADY-RBUKOAKNSA-N 428.558 2.225 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1516744556 MUACUZODNMFDIO-NRFANRHFSA-N 440.548 2.066 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1516948541 FZFMVMLRWGUZQO-AVRDEDQJSA-N 426.496 2.168 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)C2)nc1 1534510210 OBHLSMBQTCUULQ-ZBFHGGJFSA-N 439.403 2.033 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1538972583 KSLRVKQOTVCPTM-HZPDHXFCSA-N 431.562 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCN(CC)CC1 1538983650 UXQSNMDSRURZDW-GOSISDBHSA-N 425.537 2.339 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539312532 SOHDXRZWNGZMJO-LJQANCHMSA-N 429.528 2.405 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1539395663 GCLHFZFPEZZMMC-UHFFFAOYSA-N 438.576 2.010 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC1 1539477767 XZEXJJNJXZGTGC-IRXDYDNUSA-N 448.518 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)cc2)CC1 1539484702 ZTHWTUQYGLTAST-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C)C1 1539641999 HKTKNNZXVUOJMK-BXWFABGCSA-N 431.562 2.476 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539824682 YSZHATQOOLPEGK-OAQYLSRUSA-N 447.971 2.496 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1539917934 YJIYNRNOFNJPIO-OAHLLOKOSA-N 447.552 2.449 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C)C1CC1 1540098943 NRWKHDBOLSFFFN-UHFFFAOYSA-N 443.371 2.082 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@H]2C1 1540160124 GCNQKLXELPJHFQ-QHAWAJNXSA-N 444.601 2.148 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1540170565 OYEVDERSWXEMBM-HXUWFJFHSA-N 445.589 2.455 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1540868638 MDZJTRIVIIUTFA-UHFFFAOYSA-N 427.459 2.428 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO[C@H]2C(C)C)CCOC1 1547917890 CDIZDNQWXLISSW-NXWNEQKCSA-N 433.553 2.110 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 1554434416 DGOMDVHELLBCIS-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccncc1Cl 1555665578 XZFPEZBOVOBSMD-QAPCUYQASA-N 445.955 2.275 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@H]1F 1555949133 LYBLZLWFNFYRSO-DOMZBBRYSA-N 440.401 2.201 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3cccc(Br)c3)CC2)cc1 1557721925 BLICZCNTRDLEFK-UHFFFAOYSA-N 427.302 2.399 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 1559592727 SAKFMYMOVYCKOG-UHFFFAOYSA-N 436.487 2.232 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1564799086 WXQIUFYEQCESST-RUZDIDTESA-N 433.508 2.412 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 1564819206 FHYOVCKLKAFNAA-MAUKXSAKSA-N 430.480 2.366 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)s1 1566427582 WHJUMTCETPYZNF-KRWDZBQOSA-N 433.555 2.369 30 10 IEEE C=CCNc1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)s1 1584793192 RVYIFVQZYNPIOS-UHFFFAOYSA-N 435.575 2.320 30 10 IEEE N#Cc1ccc(CCNC(=O)c2ccc(I)cc2-n2cnnn2)cc1 1586145931 PKUMCQSEUBZRBB-UHFFFAOYSA-N 444.236 2.111 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588030666 ZICQITWJRRACOD-YTQUADARSA-N 441.557 2.355 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588065194 VUIHLSDCGKKZPW-LJQANCHMSA-N 448.614 2.374 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2(O)CCCC2)n1 1588722836 GSRVCGIRSQUGPU-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C 1589172045 YBALBBDZCPCECV-JOCHJYFZSA-N 443.573 2.255 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1594713432 ACUVSBZNVXGLTM-MRXNPFEDSA-N 429.525 2.431 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCOCC2)C1 1595688806 OVPOJKLDFCEURM-NRFANRHFSA-N 427.549 2.457 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(CC(F)F)C2)cc1 1596419945 HIOFSDZOKFWCAC-ZYNBKEAPSA-N 428.505 2.415 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1614348836 CPCCBBVTAYLWCA-DBVUQKKJSA-N 449.559 2.084 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1616906342 HKNMINGMJFQWGL-UHFFFAOYSA-N 448.570 2.312 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)cc1OC 1619207508 HDHRPALOXRKQEX-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE CS(=O)(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCC(CC#N)CC1 1620176809 XEWOXMHLHXTDFF-UHFFFAOYSA-N 430.578 2.133 30 10 IEEE CS(=O)(=O)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCCC1 1623528813 LJAMNNTZPFHYHJ-UHFFFAOYSA-N 440.363 2.231 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3=C(C)N(C)c4nnnn4C3)c2)c1 1624873346 PQUQIMHMXYCTJM-UHFFFAOYSA-N 428.452 2.222 30 10 IEEE N#C[C@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1625197818 UZIJBSXAQHWARF-INIZCTEOSA-N 438.303 2.246 30 10 IEEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1625460644 WQXGYAWBHILKRB-JLTOFOAXSA-N 437.493 2.226 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)CO2)C1 1629108348 BIWWYQXJQZJWDH-ZDUSSCGKSA-N 426.395 2.480 30 10 IEEE C[C@H]1CN(C)c2ccccc2CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1629496298 KAOLJDUHRUZGIK-CVEARBPZSA-N 426.542 2.371 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCn3ncnc32)c1 1630497807 BWEHGOQFCPXWMY-BMCXAMSBSA-N 430.534 2.387 30 10 IEEE CC(C)c1n[nH]c(CC2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n1 1631846774 MTFZZLGYZCAKQY-UHFFFAOYSA-N 444.561 2.215 30 10 IEEE C=CCCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1632307854 SUDPOQZCRFIBRV-BZUAXINKSA-N 432.608 2.082 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCn3ncnc32)CC1 1633105253 YEXFBRSEZUDHMK-DLBZAZTESA-N 429.322 2.327 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1636284728 SKEWCDCNZQQYEK-QGZVFWFLSA-N 444.351 2.281 30 10 IEEE COCCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1638463514 PLLXWTNJILWPPK-UHFFFAOYSA-N 443.525 2.449 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1639270275 SLKFEQICOOXWEE-RTBURBONSA-N 444.532 2.442 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1647780171 DQFAGDWNBZAVQJ-FGZHOGPDSA-N 435.547 2.456 30 10 IEEE N#Cc1cc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ncc1Br 1655125465 JNMIZUWKNOAEKI-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCc2c(sc(N)c2C#N)C1 1656380586 BPRYGERMFGQYLR-LLVKDONJSA-N 427.486 2.068 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1666932886 GICYGICPWJTNTD-CVEARBPZSA-N 429.926 2.216 30 10 IEEE COC(=O)CNC(=O)c1ccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1667075409 BQZAAKXMLSATGS-UHFFFAOYSA-N 449.511 2.247 30 10 IEEE C#C[C@@H]1COCCN1C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1676274913 KSLSIYZVHFJAKN-CYBMUJFWSA-N 435.502 2.305 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c(C)s1 1679216809 WKGBFKZIRRFRRB-SFHVURJKSA-N 448.570 2.298 30 10 IEEE N#CC1(CNC(=O)N2CCC(n3nncc3I)CC2)CCCC1 1686945514 WIZBDICNYPCXLW-UHFFFAOYSA-N 428.278 2.313 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1689964278 JUKYYBBSPDNAIL-FGTMMUONSA-N 433.553 2.002 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1689973849 SNOPSRVYXFXHPS-QGZVFWFLSA-N 448.552 2.392 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCOC1 1690094049 QYTIXCFLRYWAKM-HRAATJIYSA-N 434.924 2.309 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1690100034 VDJGQTAEXHFGIW-UHFFFAOYSA-N 432.484 2.431 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690106176 MZUAEMOGFFFXBV-WIYYLYMNSA-N 431.581 2.328 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(CCOC)c1 1690193881 UUUFLOJVITZXFW-PKTZIBPZSA-N 442.564 2.202 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1690206015 FDEPCUZAXPTBQY-OXQOHEQNSA-N 433.603 2.488 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1692343412 FOCAQLSMOSQMFO-GOSISDBHSA-N 445.593 2.388 30 10 IEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1693098962 DMFCQEZEMYZHPJ-HXUWFJFHSA-N 436.541 2.440 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN(C)C(=O)OC(C)(C)C)CCOC1 1696023447 GMNJPIPYHKRHRP-IERDGZPVSA-N 436.557 2.393 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1CCN1CCCS1(=O)=O 1696676069 HGVYCNMCXKWJEC-UHFFFAOYSA-N 430.578 2.410 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705565670 JLSIUXDMKSSSAY-AZUAARDMSA-N 444.557 2.203 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCn1cc([C@H]2CCOC2)cn1 1705576750 OZLBOZRTPMNKIO-SFHVURJKSA-N 435.919 2.467 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1705590891 YWZADDWPNKTJLZ-VWLOTQADSA-N 449.555 2.191 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1705611163 RWBHMAPBCFHSPR-QFIPXVFZSA-N 438.557 2.002 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1705622613 NJASEQZSFAMBHB-AUSIDOKSSA-N 442.564 2.099 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1705669359 JXKFFYLYWLQVDO-FGZHOGPDSA-N 443.573 2.414 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705679426 NMHBJRIIVIGJHF-CHWSQXEVSA-N 442.314 2.219 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1705737539 UIURGXBMVQLLKL-APWZRJJASA-N 426.608 2.106 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705893995 KEXUZNOWXUZRTI-BHIYHBOVSA-N 430.597 2.172 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCN(C)C2)C1 1705929476 RHDONHFUQMFPRQ-HYBUGGRVSA-N 441.576 2.267 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1722292532 JOWHHIOHMBPGJQ-QGZVFWFLSA-N 430.516 2.338 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1722292902 KIANMHIMZHWHMW-ZWKOTPCHSA-N 433.560 2.475 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1722333212 TZWRUQSVLLKCBN-KRWDZBQOSA-N 430.530 2.001 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)cc1OC 1722356068 AJZKBECMNQOLCI-UHFFFAOYSA-N 425.514 2.405 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1722363130 QUQNATBPCGAAQW-FQEVSTJZSA-N 439.541 2.036 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOC2=O)cc1 1722371367 WJMLYWYOGMVFES-UHFFFAOYSA-N 448.527 2.274 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(Cn2cccn2)c1 1722373382 IFBOAJOHFRJFGO-VWLOTQADSA-N 444.539 2.296 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1722450155 YVTUCNUWGBJNIW-ONTIZHBOSA-N 437.544 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1722469032 SBAXPRUQIZYXCO-HUVFLSCGSA-N 445.608 2.279 30 10 IEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1722540772 HQDKRQJAUFCWDP-UHFFFAOYSA-N 448.575 2.039 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1722697070 FKGGRWQWYZUUCH-LJQANCHMSA-N 436.516 2.380 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729413888 QKYYCMPKPBPETP-XOMICKMZSA-N 440.479 2.084 30 10 IEEE Cn1cc(CN2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CC2)cn1 1729575421 GQCPKBBTCACOJC-UHFFFAOYSA-N 448.575 2.425 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CC1 1729793426 GIZHJSLICFZFJN-UHFFFAOYSA-N 434.447 2.377 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1730706014 ZICWVAXOQDVPBR-IBGZPJMESA-N 447.561 2.169 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCCCC1=O 1740631072 HGFOOYOTJAAYJR-XMMPIXPASA-N 441.576 2.184 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1740668931 FNFGHLBUHYVWLN-AWEZNQCLSA-N 428.443 2.076 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN2CC=CCC2)CC1 1740700481 URXKXJITVITCKN-UHFFFAOYSA-N 434.588 2.437 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740718649 SVQQZJHAPQXSMS-GOSISDBHSA-N 439.585 2.172 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740720491 AKDIZMKFVXPMGU-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1740763193 ZHEPILZSZZSLIJ-VYDXJSESSA-N 437.591 2.254 30 10 IEEE C=CCCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1740866521 GRDHHNNZJTVZRE-JOCHJYFZSA-N 427.553 2.403 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1740882027 XSIYSTXWBMICKM-JOCHJYFZSA-N 434.585 2.480 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C[C@H]1CCCO1 1740960768 ZYCUUJUPHOOUDK-VQIMIIECSA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1740966389 YBIPSFKSEPPZLH-HXUWFJFHSA-N 430.509 2.323 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2C1 1740990000 FXRGWVMDORGKQN-UHFFFAOYSA-N 448.499 2.120 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)OC(C)(C)C)CCOC1 1741127171 YEPJMKXKHUKCCV-HRAATJIYSA-N 436.557 2.439 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCC[C@@H](O)C1 1741477607 COPCZQWIQRISDR-IPMKNSEASA-N 438.580 2.404 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)c1 1742364548 SADQTYWXRZOJCY-NRFANRHFSA-N 441.532 2.480 30 10 IEEE CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1743447637 QXJLOOQNLUITIL-NQIIRXRSSA-N 425.493 2.191 30 10 IEEE CCNC(=O)C1(Cn2c([C@H](C)OCCOC)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1746491360 PHUDVWYZEXMQRR-LAUBAEHRSA-N 432.569 2.439 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1748724762 ZTKSTYKAHJVNIA-IBGZPJMESA-N 444.532 2.426 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748807915 DEVJDDYLMGWOKZ-MSOLQXFVSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1748825222 WOXQFZSBJXNOAU-MRXNPFEDSA-N 440.928 2.282 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C 1748914341 JEYMOXUORWRVGY-UHFFFAOYSA-N 433.578 2.470 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749039227 QWDKMOYIIXEWDR-OALUTQOASA-N 429.594 2.273 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC(N)=O 1749129691 GQGYIMUAYMZLGG-HQEOYTPBSA-N 441.532 2.472 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749449924 YRFYFPBTLXGLMC-INIZCTEOSA-N 443.504 2.196 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1749939918 YODYXPHWHRFBMM-GSHUGGBRSA-N 445.520 2.289 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1750116099 AEANGULADQPZAH-SFHVURJKSA-N 435.532 2.172 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1752305302 TYVJNCWTCLCRGL-DPHDRGAJSA-N 442.907 2.350 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCC1 1760102677 OMHNNYZILAOHRL-KRWDZBQOSA-N 445.589 2.470 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1760155214 UBABQFZVITVGRN-QGZVFWFLSA-N 431.537 2.059 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1760183833 UHIMVCXYEZMREF-RTBURBONSA-N 433.622 2.219 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1760190743 YFHPLLFTBSCYQS-WMZOPIPTSA-N 431.587 2.110 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2OCC[C@H]2C)CC1 1760258997 WLORSDNHINNLSG-DYESRHJHSA-N 425.533 2.143 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1760407780 OJOISJZMGAIRDN-INIZCTEOSA-N 425.537 2.490 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760516088 JGPKXTDIMRZJSA-KURKYZTESA-N 425.489 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ncc(Cl)n1C 1760553938 MKPFXHYXGLNMKF-UHFFFAOYSA-N 449.968 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1760557741 VFROMKITPVNHLJ-UHFFFAOYSA-N 447.580 2.293 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760677352 FLTSSUJYRMWJHY-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE CC(C)COCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1761149182 JMDGFKWKFLSHCY-MRXNPFEDSA-N 437.504 2.385 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1763271633 WUUTVGXWFZDSLX-HJPURHCSSA-N 441.532 2.192 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NCC)CC1 1763721962 FUMLAXYLKJMVIH-JOCHJYFZSA-N 425.537 2.219 30 10 IEEE CN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1767350418 HZZAGULLGHIBFO-ZDUSSCGKSA-N 429.834 2.216 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1768291377 NZHNERVPMTYNMB-IRXDYDNUSA-N 446.577 2.293 30 10 IEEE COCCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769664772 OUZPPMOVJGYMNG-QGZVFWFLSA-N 433.520 2.143 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccnc1-n1cccn1 1770174466 ZQDORKIMQLMNMR-WDSOQIARSA-N 436.520 2.369 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1771348572 XXSBAHFBHQRCIQ-SFHVURJKSA-N 427.530 2.175 30 10 IEEE CN1C(=O)CC[C@@H]1CO[C@H](COc1ccc(C#N)cc1)CS(=O)(=O)c1ccccc1 1851327351 UEDYQGLNVYCXCM-UYAOXDASSA-N 428.510 2.417 30 10 IEEE CN(C)C=NC(=S)N(C(=O)c1nccnc1N1CCOCC1)c1ccc(Cl)cc1 1852252516 RWOCBORJDFXUOL-UHFFFAOYSA-N 432.937 2.488 30 10 IEEE COc1ccc(N(C(=O)c2ccc(N3CCOCC3)nc2)C(=S)N=CN(C)C)cc1 1852320197 DOIBMEYZQMJUKC-UHFFFAOYSA-N 427.530 2.448 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2=O)c1 1853897059 XWZPHRQRLJETFM-UHFFFAOYSA-N 431.901 2.220 30 10 IEEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c(C)c1 1854642576 SCNDNMAJVOYEMX-KRWDZBQOSA-N 425.510 2.166 30 10 IEEE COc1cc(CCC(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)ccc1F 1855703197 QAHATGPGRMTUAV-UHFFFAOYSA-N 431.445 2.000 30 10 IEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)OCCO4)n2)cc1OC 1857807669 VEXHEQMDVGSYPP-KSEXSDGBSA-N 439.497 2.495 30 10 IEEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(CCN2CCOCC2)C1=O 1863429572 HUWSDTXRVSYZLA-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870107665 SOIHJKNIORNFPK-UHFFFAOYSA-N 432.415 2.352 30 10 IEEE CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)NCC#CCN2CCOCC2)cc1 1891543941 MUUZMEONLKLOIN-UHFFFAOYSA-N 449.617 2.343 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 1993946852 XXZFQMDUXDJPBL-OAHLLOKOSA-N 427.542 2.192 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2N)[C@H](C#N)C1 2106651295 NBURZCXIYHSCQW-GFCCVEGCSA-N 445.339 2.165 30 10 IEEE CC(=NO)c1csc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)n1 2108229714 VHQTXRPODFEIFQ-QGZVFWFLSA-N 440.478 2.107 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542000 YTXGQBFVKBTYGC-OAHLLOKOSA-N 445.329 2.301 30 10 IEEE C#CC[C@@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(=O)O 2237386347 RIEUAHBKDIXRMH-CABCVRRESA-N 439.306 2.478 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904508 OUDORZGPSCODDR-ARFHVFGLSA-N 442.387 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](C(=O)O)C1 2255596775 NMYLNARSHPEBBG-YMAMQOFZSA-N 438.330 2.391 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626991 MNDDQBHUBNCPBL-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C#N)C1 2255817963 DKRWLXJHENWYBJ-OAHLLOKOSA-N 431.298 2.164 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255946960 KDJZHMRAXKJXIE-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256616568 CDVZTEDSDGRNDM-CJNGLKHVSA-N 435.330 2.248 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267093662 WRTSBPFDZPXMSU-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2267173040 GCSWSJPODDDRCQ-GOEBONIOSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267279979 MHTNCRMPUNSIGK-CQSZACIVSA-N 446.357 2.294 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2267498225 SMPLYAIQUYTIGL-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267548358 FZYFLXFSKIOIGH-CABCVRRESA-N 448.373 2.285 30 10 IEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267549955 SHOQWIVNCJJOMF-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)NCC3CCC4(CC3)OCCO4)c2)OC1(C)C 2282340155 BXWJFQYVWNKNIV-UHFFFAOYSA-N 443.396 2.259 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2306220968 BOUDDGDNYUNQLN-BTYIYWSLSA-N 443.541 2.184 30 10 IEEE CCOc1c(OC)cc(C=NN=c2nnc(-c3ccc(OC)cc3)c(O)[nH]2)cc1[N+](=O)[O-] 2323288828 IJGGGRHNOSGBBA-UHFFFAOYSA-N 440.416 2.436 30 10 IEEE CCOC(=O)c1sc(NC(=O)CSc2nnc(C(F)(F)F)n2N)c(C#N)c1C 20841227 FWVCDIZIBVCGRQ-UHFFFAOYSA-N 434.425 2.160 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CC1 24700090 XFOYKLPBJYDYLV-UHFFFAOYSA-N 426.542 2.456 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 301389060 ZAFKTABCBIJXAJ-UHFFFAOYSA-N 438.431 2.187 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 505783387 RLLRJTLUIDVNPB-LJQANCHMSA-N 436.490 2.202 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 509012013 OMXZCRBVHLEVTQ-UNMCSNQZSA-N 438.576 2.356 30 10 IEEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 513558495 NXBUORIGZLCUPF-KRWDZBQOSA-N 433.559 2.493 30 10 IEEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1ccccc1OC 514357622 XFDYDGKPWVZBTR-CQSZACIVSA-N 429.546 2.357 30 10 IEEE CCNC(=O)COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC 515527535 YJNSHDXJQYMWMB-UHFFFAOYSA-N 437.905 2.214 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 525948731 CQZFILOPQSBDGI-MRXNPFEDSA-N 433.555 2.029 30 10 IEEE C=CCn1c(C)cc(C(=O)CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1C 530778211 NPZGZDYQNMWHDL-UHFFFAOYSA-N 430.574 2.204 30 10 IEEE N#Cc1ccccc1N1CCCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 533271197 IJIOYZOAUQDYSL-UHFFFAOYSA-N 445.567 2.491 30 10 IEEE CC[C@H](C)Oc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 539599456 PBHVFUXJTRQYCY-INIZCTEOSA-N 428.514 2.277 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542214692 SPZGKQDIZWBWMO-UHFFFAOYSA-N 444.607 2.248 30 10 IEEE COc1cccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C2CC2)c1 544833960 OPVIXRSKKMQONF-XUZZJYLKSA-N 445.523 2.363 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCCO3)CC2)c1 549854449 KXEQEINVPRYIGA-FQEVSTJZSA-N 430.516 2.036 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2Cc2ccccc2)cn1 558927080 VQZOXDIXVNVZSM-UHFFFAOYSA-N 425.500 2.320 30 10 IEEE C=CC[C@@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 559239627 KTAIQLPBDCYONH-TZIWHRDSSA-N 435.572 2.309 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1C 582212527 NDZYGMLSFPNQQC-UHFFFAOYSA-N 438.513 2.290 30 10 IEEE Cc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824646 WICIKCZUGGKDLA-WFPNJVTPSA-N 431.492 2.110 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 603798377 KUHJBPCXOJWPIF-QGZVFWFLSA-N 445.972 2.162 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 603876545 BHIBWTUGEHNIGH-SFHVURJKSA-N 435.484 2.083 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cn1 609641008 AWVNBGAXTXLGHW-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)c1 609763123 HGWQJJMPTUNSOK-SFHVURJKSA-N 442.541 2.204 30 10 IEEE C#CCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)[C@@H]1CCS(=O)(=O)C1 729331099 JJHZZNDQOJLIHU-OAHLLOKOSA-N 434.539 2.398 30 10 IEEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717284 IVPONPDOKKUZHQ-HNNXBMFYSA-N 444.492 2.101 30 10 IEEE CN(CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCN(c2ccccc2F)C1=O 732800115 XWCDAMVLPDVMSO-WMZHIEFXSA-N 435.459 2.159 30 10 IEEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 740179223 QSVHZIBZHJCCDL-SFHVURJKSA-N 436.873 2.338 30 10 IEEE CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 743917540 HQVQQWKZGAFMHB-BMRADRMJSA-N 436.921 2.422 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2cnc[nH]2)CC1 751397078 ZGBBSUGMUCUDQW-KRWDZBQOSA-N 429.546 2.413 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)C1 757597783 UCCKUBPNCTYDEN-IPELMVKDSA-N 436.516 2.474 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)ccc1NC(=O)C1=S=CC=C1 759171318 BBAVEMBBWOOFMM-UHFFFAOYSA-N 439.518 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1 765357720 CVHRWYAUHJQOOA-DLBZAZTESA-N 446.529 2.034 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N(C)CCC#N 767830325 QPJQCWNYAMBUHB-LLVKDONJSA-N 431.308 2.078 30 10 IEEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 770858334 NAHPLGWSGOBQNY-IBGZPJMESA-N 438.446 2.214 30 10 IEEE C#CCN(C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCS(=O)(=O)C1 774187542 QIGDAZWXDUTERB-NRFANRHFSA-N 449.536 2.266 30 10 IEEE C#CCN(C(=O)Nc1cc(I)ccc1C)[C@H]1CCS(=O)(=O)C1 775861155 RURWNQMZKCBXDY-ZDUSSCGKSA-N 432.283 2.254 30 10 IEEE N#Cc1cc(F)c([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)C(F)(F)F)c(F)c1 783808037 IJXRZWIPTCOOHZ-AUTRQRHGSA-N 433.280 2.354 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 789161683 GUDPOCYEVYURSA-UHFFFAOYSA-N 436.516 2.331 30 10 IEEE CCC(=O)N[C@@H](CCSC)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790867610 GHJSBGNQMZWZAN-LBPRGKRZSA-N 437.465 2.030 30 10 IEEE C[C@H](CC(=O)NCc1ccn(Cc2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 791302703 NJIIADPIHMSTRT-MRXNPFEDSA-N 437.525 2.065 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CCN1C1CC1 792336803 FOLIBGWKNZNWSF-GOSISDBHSA-N 432.528 2.362 30 10 IEEE CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2cnc(-c3ccccc3OC)nc2)NC(=S)N1 793349231 LOLISEDUCXQESU-QGZVFWFLSA-N 438.509 2.467 30 10 IEEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1C[C@@H]1C(F)F 802042163 MYNHCLZTEWBJTN-JYJNAYRXSA-N 425.457 2.410 30 10 IEEE CNc1ccc(C#N)cc1NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 803306123 OYXGTWCARRRVMW-GOSISDBHSA-N 444.513 2.268 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 813710371 GGVHBXFLARDRRK-NQIIRXRSSA-N 448.516 2.477 30 10 IEEE COC(=O)CCN(Cc1ccccc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 819004513 AFVBGYLKTCXIRO-UHFFFAOYSA-N 443.525 2.097 30 10 IEEE C[C@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 857995389 HRXWGCDGHSVFHX-OGYKNIHVSA-N 427.482 2.028 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 914679106 XEKJINLIALHFDH-LPHOPBHVSA-N 448.541 2.217 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)C1 915100749 YYKNLLAMBVNNQY-HOTGVXAUSA-N 441.513 2.455 30 10 IEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)c1 1084281391 OZGWPKYQOJITBP-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1125826622 SGUCDEBKBXXZPS-UHFFFAOYSA-N 429.480 2.375 30 10 IEEE CCN(C)C(=O)[C@@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1136563068 OWODSUXEWBARDM-AQZMIJIOSA-N 436.578 2.153 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(C(=O)NCCN(C)C)c3)n[nH]2)c1C 1136596842 XYGAPNFMSUQQQA-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#Cc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)c1 1142211069 HCTRGDDIUDKNAL-RBBKRZOGSA-N 426.538 2.232 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)c1ccccc1 1143135165 DVBOGIMIGOZZIE-QGZVFWFLSA-N 430.486 2.184 30 10 IEEE COC(=O)[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCC(C)(C)C1 1147860276 RXURRTCJZRFPKN-NRFANRHFSA-N 435.546 2.134 30 10 IEEE CCCOc1ccc(-c2nc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cs2)cc1 1148392774 IBDGHUWTOAOHIV-UHFFFAOYSA-N 425.470 2.163 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 1251528782 SJSFUUHQMOGTRK-UHFFFAOYSA-N 441.359 2.181 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2=O)cc1Cl 1264478350 WSEMMZITBHHVAW-OAHLLOKOSA-N 437.887 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)CC 1286272686 CLSWBVSCFWBKPZ-CYBMUJFWSA-N 440.367 2.105 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1286275056 QLHQGGWTQQBYCA-HOTGVXAUSA-N 433.578 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCS(=O)(=O)CC1 1286279063 JOMCIXCAFUWGHV-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286354540 OXKOCUHLQPOLNY-GOSISDBHSA-N 428.606 2.381 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286789511 HLLIJZAUGZUQQW-RBUKOAKNSA-N 440.592 2.293 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286790300 MOSAQZRUONYYLB-JXQFQVJHSA-N 439.560 2.138 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CN2CCN(CC)CC2)C1 1286803633 FITKETBJRPSKEV-NHCUHLMSSA-N 441.624 2.339 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3[C@@H](C2)C3(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1286825916 ZRRXOZQNSPOQPS-CBGDNZLLSA-N 438.594 2.012 30 10 IEEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 1288663112 QFNMWKDPSBHVKT-UHFFFAOYSA-N 438.546 2.201 30 10 IEEE C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 1291186193 BFTMGQAXDDZIBE-PRHHBONVSA-N 443.596 2.247 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCc2ccccc21 1300509644 QYLRGNQYPIFPFC-MJGOQNOKSA-N 425.558 2.081 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1300631819 WEVKUHKXQCHFBX-KRWDZBQOSA-N 432.546 2.095 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2OCCC2(C)C)CC1 1300722388 JKUZWJROPUWYIR-RTBURBONSA-N 429.565 2.301 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300766939 OIZKUTDENSNFEP-IBGZPJMESA-N 440.617 2.320 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1300770346 TXUMBERPUGLODL-IBGZPJMESA-N 441.605 2.097 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1301492901 RAQSHVYLXWNPEC-UHFFFAOYSA-N 427.505 2.024 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301604162 NUNVSDOBIROLHH-UHFFFAOYSA-N 441.605 2.004 30 10 IEEE C#CC[C@]1(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1302744114 AOQFKIYSPSVLMP-RTBURBONSA-N 431.455 2.449 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)s1 1302837152 SDRGNCBIYMMQCL-ZDUSSCGKSA-N 429.995 2.328 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(=O)N2CCOCC2)c1 1302987055 JQIYSZJRKZZFEP-QGZVFWFLSA-N 430.459 2.157 30 10 IEEE Cc1coc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1304615965 VCWUEKUYLAUUQW-UHFFFAOYSA-N 443.529 2.468 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)CCCN1C(=O)OC(C)(C)C 1304891167 AJLCYJHJXIHMET-SPLOXXLWSA-N 449.939 2.324 30 10 IEEE C#CC[C@H](CCOC)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1313096419 ATCUKWWAQSUVIW-SJORKVTESA-N 437.537 2.047 30 10 IEEE CCN(CCCn1c(-c2ccccc2C)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1313797815 DMANEKQVFFWSQL-FQEVSTJZSA-N 434.541 2.367 30 10 IEEE CCOCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314453826 XEBJKJJJHRWWKG-QGZVFWFLSA-N 435.536 2.467 30 10 IEEE Cn1nncc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 1314935045 HQEFGRFHXMXAPY-KRWDZBQOSA-N 449.263 2.465 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CC(=O)NCC(F)F)cc1 1316529776 GWAPVPOOCZGTNW-GOSISDBHSA-N 444.486 2.451 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1358924920 NJVWHJSGDWPIJP-QGZVFWFLSA-N 430.530 2.143 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCN(C)CCOC)CC1 1359034199 HOZXQIPRRUBJAG-UHFFFAOYSA-N 449.603 2.160 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359130976 DJSRCYPUNSNYGX-UHFFFAOYSA-N 438.536 2.300 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 1359136611 PMAJYBGUEOIVLF-UHFFFAOYSA-N 439.520 2.379 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359205919 OHWRIDVRQWAJLN-UHFFFAOYSA-N 434.548 2.350 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1359214279 YACRMEPFYFPGGU-UHFFFAOYSA-N 426.546 2.210 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1359321043 ZCSYLKGMRWBZNK-WOJBJXKFSA-N 433.597 2.189 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)cn2)cc1 1438685607 NPOJQQWJTAPYNC-UHFFFAOYSA-N 425.470 2.433 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1455397537 CBLYKJMYENKLMS-RDYUPDBUSA-N 427.567 2.055 30 10 IEEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1OCc1ccccc1 1462987413 GMMMAUXIJIBXAR-AVRDEDQJSA-N 426.494 2.285 30 10 IEEE Cc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1463827718 DXXMMDCPZFNXEI-UHFFFAOYSA-N 427.310 2.194 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)n[nH]2)c1C 1465425277 XXDDATNVUBSJOY-DEOSSOPVSA-N 434.544 2.443 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC[C@H](C4CC4)N3C(=O)OC(C)(C)C)CC2)c1C#N 1466920960 BRWCQGSSBYXJIQ-MOPGFXCFSA-N 442.564 2.427 30 10 IEEE N#CC[C@@]1(O)CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(S)nc3c2)C1 1472582049 LEGUCSXXUXFODQ-HSZRJFAPSA-N 434.521 2.419 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)CC1 1476561062 HMPJSKMDTSYVFJ-UHFFFAOYSA-N 428.443 2.422 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1478403069 HTHQAZXIPYKSCE-CABCVRRESA-N 430.534 2.210 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1493555526 JOOXZZDVKXRBBQ-WTANOLMUSA-N 449.353 2.326 30 10 IEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O)C(C)C 1502190273 CVHBXOWSUPAOFV-QGZVFWFLSA-N 432.594 2.416 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)C[C@@H]1C 1503891206 NIYJVPLFKLAXFZ-KRWDZBQOSA-N 434.504 2.380 30 10 IEEE COc1cc(C)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1504063860 DVGIUSLGEZZSTM-KRWDZBQOSA-N 433.472 2.020 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)cc1OC 1504203963 XZJOGZRJQXUFAO-HNNXBMFYSA-N 437.447 2.363 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507631425 PIFFYFQOTRBSNF-QGZVFWFLSA-N 431.562 2.107 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CC 1507680753 MLXQIWKAYZWCAG-IBGZPJMESA-N 444.605 2.139 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1snnc1C 1507709740 YPPRRAMEVGOKPP-UHFFFAOYSA-N 428.518 2.257 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccn(C)n2)CC1 1507731880 DPRBAQNXZYLAJW-UHFFFAOYSA-N 425.924 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2F)CC1 1507737854 GLDWMHBVDZLLFG-UHFFFAOYSA-N 435.507 2.026 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507836009 TWMCWCXTJBQTTR-ROUUACIJSA-N 427.553 2.437 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1507929829 VAMVQOHKKUZOAL-UHFFFAOYSA-N 433.520 2.398 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507983052 RBNDFKXPNMWQHW-UHFFFAOYSA-N 449.607 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1508132219 WBSUJQWMJIZZLF-SFHVURJKSA-N 445.589 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1508134546 GOAKVNGZYSJZOQ-KRWDZBQOSA-N 449.577 2.285 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508151756 NXTJJMJKLXXQHA-HNNXBMFYSA-N 425.580 2.284 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513165589 HTYPVEWAFFQHOS-DNVCBOLYSA-N 425.537 2.395 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)n1 1515221638 YQZWXFYSJMLDCW-GFCCVEGCSA-N 445.501 2.423 30 10 IEEE CCN1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1515869669 GDVXKMFDLNSQRU-OALUTQOASA-N 434.610 2.185 30 10 IEEE Cn1nnc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(C#N)CC2)n1 1517425550 DWRPIGSOHPWAMZ-UHFFFAOYSA-N 446.288 2.158 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1519511139 HIFIYGSRUUEPQZ-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE C#C[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 1525048144 AMIPFALWCHMWTC-INIZCTEOSA-N 446.326 2.321 30 10 IEEE COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](C)CC#N)C2=O)cc(OC)c1OC 1532471604 DMVYWKREHKEATO-JASJWYONSA-N 433.486 2.415 30 10 IEEE C=CCn1ncc2ccc(NC(=O)c3ccc(S(=O)(=O)CC(=O)N(C)C)cc3)cc21 1538658727 MNOBJIKKSGDKNO-UHFFFAOYSA-N 426.498 2.337 30 10 IEEE Cc1cc(C)c(C#N)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)n1 1538725808 AZXXQPWCOMWAGU-UHFFFAOYSA-N 440.529 2.278 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539210363 DHGLFQVONJEGBW-IBGZPJMESA-N 446.621 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCOC1 1539319821 HOXMSFLDMNCJJR-FQEVSTJZSA-N 429.318 2.322 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539430028 GOMTZPAMZXAJQC-QZTJIDSGSA-N 442.530 2.200 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539506635 NIDVISHNDUTSOL-GOSISDBHSA-N 440.573 2.360 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1539619029 CQOGXHUTRHNCLC-RTBURBONSA-N 429.546 2.279 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539782756 BLPPBOTWRRJIBI-GOSISDBHSA-N 426.908 2.397 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 1539803235 HIWBKFXQHBGTSR-MRXNPFEDSA-N 443.957 2.372 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)N(C)C)C1 1540881288 DUJKOKKLNNITQH-MSOLQXFVSA-N 428.537 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540900238 PAAQZGPOVVPHEV-GCJKJVERSA-N 446.573 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540900500 XUICKZOMHCQINM-UFRUDQCGSA-N 430.574 2.452 30 10 IEEE C=CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1540918311 OBLHHTZGRVPIRX-UHFFFAOYSA-N 440.617 2.471 30 10 IEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1541198371 KUJOPRNQLHZPDY-UHFFFAOYSA-N 434.504 2.483 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC[C@H](F)C1 1541673863 GEKXFPSWENLVLI-WMZOPIPTSA-N 440.527 2.148 30 10 IEEE CCOc1c(OC)cc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1OC 1542423363 LSMMGCWHBZWTSP-UHFFFAOYSA-N 436.461 2.469 30 10 IEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1545708181 DNMCAIZKYDBADA-IMBTUZDBSA-N 432.569 2.230 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC)C2)s1 1546401379 FYFNLNDXUQTCIN-MRXNPFEDSA-N 425.518 2.131 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1552744779 BCSJYTHMSNURCV-FQEVSTJZSA-N 446.515 2.134 30 10 IEEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1)C(F)(F)F 1554627194 QATNBZKSGGLCHK-CQSZACIVSA-N 428.459 2.498 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC1=CCCOC1 1555556563 DFTFANJFPSTOMD-UHFFFAOYSA-N 435.488 2.307 30 10 IEEE CSCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555935685 XRFSPMIKRCWRGS-IAGOWNOFSA-N 442.593 2.302 30 10 IEEE C=CCOC[C@@H](NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)OC 1556375135 AOXIYRCVAOROLW-QGZVFWFLSA-N 445.541 2.050 30 10 IEEE Cc1cccc(CN2CCO[C@@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)c1 1557973856 KPXKYCANJGWRFH-SFHVURJKSA-N 445.516 2.062 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 1559134283 OMCSYLSGZIOZIT-UHFFFAOYSA-N 433.921 2.399 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)n1 1561531427 HNMXBFGVGWXJIG-UHFFFAOYSA-N 442.538 2.018 30 10 IEEE Cc1ccc(C)c(-n2cnc3cc(C(=O)NCCn4cc(C#N)c(O)nc4=O)ccc32)c1 1585295411 FSGFVMGKCGXHFP-UHFFFAOYSA-N 428.452 2.206 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1588180494 GXHJYVHGBJCSLA-VIQWUECVSA-N 449.621 2.335 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(n1)CCCC2 1588695186 FLKVZSQMYLERBU-UGKGYDQZSA-N 439.560 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC(F)(F)F)CC1 1588930033 LOHCQROTJMUTIF-INIZCTEOSA-N 427.471 2.480 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](F)COC 1595100814 UFCYUCJZGPMZPJ-RBUKOAKNSA-N 447.536 2.229 30 10 IEEE COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1596492180 RZHVHUIMKKTTPU-UHFFFAOYSA-N 432.546 2.403 30 10 IEEE CN(CC(=O)Nc1cccc(OC(F)(F)F)c1C#N)C1=NS(=O)(=O)c2ccccc21 1597052847 APCAMLUOZUQCMG-UHFFFAOYSA-N 438.387 2.476 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 1611572583 BYAYLIXUHVQBJG-JOCHJYFZSA-N 441.553 2.297 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCOCCS(C)(=O)=O)C1 1611769215 MHBPOQHRBBOPFL-LJQANCHMSA-N 437.591 2.122 30 10 IEEE Cc1ccccc1Cc1nnc(Nc2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1612299431 JGXXBBCENMJWEU-QZQOTICOSA-N 432.488 2.181 30 10 IEEE C[C@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1612816965 GAYFLGJKKVAQOX-FXAWDEMLSA-N 442.589 2.173 30 10 IEEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1614415195 BMLVHCMGCWGXTK-LJQANCHMSA-N 440.548 2.099 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1617587473 JZOAZJFZURCQIL-MOPGFXCFSA-N 430.516 2.347 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1nc(C(=O)OCC)n[nH]1 1618277797 KHEZQBUANGNJDC-LSDHHAIUSA-N 435.525 2.492 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1620055424 UQKLPWUAJQXRJR-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1 1620167220 WGSJXGIITKCOJQ-UHFFFAOYSA-N 442.545 2.228 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2CC[C@H](C(F)F)N2CCOCC2)cc1 1620351198 TXUNGPUTINHQQU-GOSISDBHSA-N 432.475 2.009 30 10 IEEE CC#CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1622765556 DASAGBIGWFSWNF-UHFFFAOYSA-N 449.451 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1624794001 UGQICBKEMOICBA-QFIPXVFZSA-N 432.496 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2(NC(=O)OCc3ccccc3)CC2)C1 1624820245 XKLVKLPSGXRAQF-IRXDYDNUSA-N 428.489 2.321 30 10 IEEE CN(C)CCSc1nc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cs1 1632296654 AQXYNTUPUXNODA-UHFFFAOYSA-N 430.603 2.391 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCc2nnc3n2CCCC3)C1 1633206188 XZAYQMBNLUUSII-UHFFFAOYSA-N 443.349 2.434 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1634107330 CFVGFOPZPVLAHN-YZEMWESSSA-N 449.552 2.444 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1635136453 RAURNFIHRIMIQM-CYBMUJFWSA-N 448.442 2.377 30 10 IEEE C=CCC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCCC)C1 1638018820 KLHPMBLFJMGXOW-UHFFFAOYSA-N 448.589 2.169 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2coc(-c3ccccc3C(F)(F)F)n2)c1=O 1640771470 BOBYSRDMQBBMGO-UHFFFAOYSA-N 434.374 2.266 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 1646266326 FHKGWVLLCKLZQU-LJQANCHMSA-N 432.542 2.423 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CO[C@H]1c1ccccc1 1646304001 IKJGXAOXTKBYDJ-NSHGMRRFSA-N 427.526 2.396 30 10 IEEE COC(=O)[C@@](C)(CCF)NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1659424185 CDDROUKGHMDZAR-IVZQSRNASA-N 434.512 2.237 30 10 IEEE N#Cc1cn(CCNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c(=O)nc1O 1676855757 FPPAZQAXJSPCHT-UHFFFAOYSA-N 429.330 2.113 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 1681951304 LABYAYRJFVCHIR-MJGOQNOKSA-N 438.981 2.161 30 10 IEEE C#CCN(C(=O)N[C@@H](C)c1ccc(OC)cc1Br)[C@H]1CCS(=O)(=O)C1 1685940402 BKBSZICPPAWYKT-STQMWFEESA-N 429.336 2.351 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSc2ccccc2)CC1 1690142090 HVPMYWJFWIDATJ-UHFFFAOYSA-N 449.584 2.437 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1690227654 DOOVLDIPBMKPDO-HNNXBMFYSA-N 446.353 2.162 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690239135 RWCDPDLGFHVFHC-QFUCXCTJSA-N 430.597 2.137 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1690302348 BSYVNLLSVCMZCV-HXUWFJFHSA-N 433.509 2.383 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690506349 LCEBEOVTXSTIHC-LJQANCHMSA-N 438.536 2.047 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1690508566 LFJNKHDKQZYXHK-QGZVFWFLSA-N 433.582 2.251 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690510819 GCFIMKYCLNMHEE-QUCCMNQESA-N 425.533 2.473 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)C1CC1 1690536008 NCRGUWSACFOTHH-KRWDZBQOSA-N 439.564 2.240 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)nc1 1690622491 QMWOBPFSIWCZCK-IBGZPJMESA-N 439.564 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)CC)C1 1690688073 NZKACHPKYGDEFR-UTKZUKDTSA-N 434.562 2.291 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690749020 OUXORYYZUGWPBA-IBGZPJMESA-N 428.606 2.342 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1694416455 FYURFCDSRADBAW-UHFFFAOYSA-N 432.532 2.484 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NCc1ccccc1 1694699465 LNUMVSUOVRIZCB-UHFFFAOYSA-N 431.500 2.082 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705476772 FCGORGPZDJFRSL-GVDBMIGSSA-N 449.552 2.297 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705517325 TUIQWODZHYFPIA-CVEARBPZSA-N 447.527 2.057 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@@H]1CCCO1 1705544678 ABWGMJQEEQLKAE-SFHVURJKSA-N 432.546 2.004 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705568816 VORKYIAKCSSKJX-QGZVFWFLSA-N 432.521 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O 1705599331 LDGBZFWDGJPVBO-HXUWFJFHSA-N 428.533 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)CN(C)C1=O 1705623784 DXGMIOZFIPEWRG-OAQYLSRUSA-N 431.924 2.171 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN(C)[C@H](C)CC)CC1 1705643162 UUHGXVSQRCPPSZ-LJQANCHMSA-N 428.556 2.482 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705794563 MKRVOFLWZOREAY-MRXNPFEDSA-N 429.525 2.272 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705895414 GOFXQWFJNTUSLR-CQSZACIVSA-N 437.342 2.199 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705901678 STXLEBQTMASNHW-UHFFFAOYSA-N 431.562 2.278 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)Cc2ccccc2)C1 1705918307 GXLKNICOIZJMPG-FQEVSTJZSA-N 435.532 2.119 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(N(C)C)CCOCC2)CCOC1 1706661307 VXYZLVBRYFFUGG-XMSQKQJNSA-N 434.585 2.168 30 10 IEEE Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)no1 1707292672 MCDZJJDZIJBLNY-AWEZNQCLSA-N 432.282 2.120 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1712322042 FDLLDJQZEHSYEL-JOCHJYFZSA-N 437.504 2.121 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C[C@@H]1O 1712834538 ZYFSAKPYPRZCKA-WVBUVRCRSA-N 426.590 2.461 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1722283038 GUAHNGFYWIJCKQ-HKUYNNGSSA-N 425.533 2.399 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1722341599 JNHDGEUMTRGYEX-UHFFFAOYSA-N 428.581 2.007 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NC 1722418130 GMFQDBIBCZHONR-HSZRJFAPSA-N 443.523 2.234 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CC1 1722434004 HWIPLYBNMUXZCI-UHFFFAOYSA-N 438.919 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC)CC1 1722444337 XJJCEJDNCGUWLV-UHFFFAOYSA-N 443.573 2.115 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CNC(=O)C(C)C)C2)nnc1C(C)(C)C 1722731250 HWZQGJBTHGARBR-QGZVFWFLSA-N 439.626 2.165 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1722867750 HVBQOLTXZDMZGX-SJLPKXTDSA-N 426.521 2.294 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCCNS(C)(=O)=O 1727576967 OQZZMUQEAGYZOU-LJQANCHMSA-N 430.578 2.111 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 1729311745 IEQQQPPDKVGJPM-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC[C@@H]1C 1730408422 VBBZODWNBIKTNE-QFBILLFUSA-N 426.521 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H](C)C1 1740657617 ULHPWFNKPKQATK-SFTDATJTSA-N 445.633 2.155 30 10 IEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740786457 DNPAODZGBVXFCQ-HDICACEKSA-N 447.923 2.016 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740827660 FRIOVLPDNLCXPH-INIZCTEOSA-N 428.562 2.341 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CN(C)C(C)C)CC1 1740961598 FRVOTGZZDKNVLJ-UHFFFAOYSA-N 425.581 2.123 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3c(F)cccc3OC)CC2)nnc1C(C)(C)C 1740964325 BAZBGGYFRPVQBB-UHFFFAOYSA-N 430.528 2.352 30 10 IEEE C=CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1741002221 KBCJXQHPMJGLFJ-UHFFFAOYSA-N 439.582 2.410 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C 1748681765 JSKYDYIORCFKKQ-MRXNPFEDSA-N 428.562 2.188 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1748751349 GJBYZRIJHGBBJV-SFHVURJKSA-N 443.552 2.370 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1748759690 MPOSZWLXYKNFQA-VGOFRKELSA-N 443.573 2.457 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1749017209 XAKRWQNZIYANMD-UYAOXDASSA-N 436.560 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nc(C)c(C)s2)CC1 1749019574 ZQMXZQKZWLQAOJ-QGZVFWFLSA-N 428.562 2.217 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749039783 BDHJJKSEULGMBX-IBGZPJMESA-N 440.617 2.320 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1749042726 CWRUQBFITJREKL-OAHLLOKOSA-N 441.442 2.382 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1749143854 NDCIAPGDFMFIBB-KKSFZXQISA-N 433.578 2.125 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749175108 HMGAQBCDRBDKIM-WXVFVKJXSA-N 436.516 2.395 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749231354 MXBLYOMXYTXEGE-GOSISDBHSA-N 425.599 2.264 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1749430676 VLLDQSQKSFCEPS-KRWDZBQOSA-N 444.486 2.436 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1749457680 OGIARKHMZSADGL-PXNSSMCTSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749668726 DHTNYXQYIHABIR-UHFFFAOYSA-N 438.576 2.192 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCn1cc([C@@H]2CCOC2)cn1 1750113505 QEGAIINFHSXJBJ-DMUMMCEESA-N 443.552 2.141 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCN2CCOC2=O)CCOC1 1751018637 WOSQGMZXBMZQJV-QFIPXVFZSA-N 446.552 2.291 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCN(c2ccncc2)CC1 1751098632 KPBLMLXQJDNIBD-PZJWPPBQSA-N 438.580 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760100073 QLFDMHWTFSJATF-KGYLXKDPSA-N 433.597 2.276 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cn1 1760173695 AREZIQMCENRHLJ-QGZVFWFLSA-N 430.484 2.238 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760188861 DKYUZBGLVJXINW-UYAOXDASSA-N 425.558 2.247 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCC)CC1 1760263878 SGUXWDVPRGJGOO-SFHVURJKSA-N 432.569 2.142 30 10 IEEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760422941 UFTMTIPPFXLOGN-KRWDZBQOSA-N 428.924 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cnn(-c2ccccc2)c1 1760558039 DLWUMTYPWUZOBC-UHFFFAOYSA-N 438.517 2.209 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1761360188 HRTPOFHSRSGQNF-HIFRSBDPSA-N 449.357 2.407 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC(F)F 1763040274 RVZUVSNHNJYFSI-AWEZNQCLSA-N 434.447 2.025 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)CC1=O 1767094982 QFGRGBIDNRNTOO-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE CCOCc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1Cc1ccc(C#N)o1 1767782893 RKOHHUGXUAWLFI-UHFFFAOYSA-N 434.456 2.060 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1CCN(CC)CC1 1767864606 UHQAUTYLLNAGJT-UHFFFAOYSA-N 439.564 2.472 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCC[C@@H]1CO 1768709762 NWAPHOFEQCKQGT-JOCHJYFZSA-N 446.559 2.480 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCn2cc(C)nc21 1769305225 SBBOQUUINRAHHI-IBGZPJMESA-N 432.532 2.472 30 10 IEEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)cs1 1769550226 DSTVALKWMIOIKJ-XJKSGUPXSA-N 437.529 2.341 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2CCCCCO)cc1 1770739134 XZVMLBNDLVKROK-UHFFFAOYSA-N 448.531 2.008 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1771180681 QNECRSVOANCDCF-PMACEKPBSA-N 448.612 2.489 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)c3c(Br)cnc4[nH]cnc34)CC2)CC1 1849722703 SDQPCOODLOILKM-UHFFFAOYSA-N 445.321 2.335 30 10 IEEE CCc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4nccc(C#N)n4)CC3)CC2=O)cc1 1851142780 GTDGAZFGBATSAM-SFHVURJKSA-N 446.511 2.141 30 10 IEEE COc1cc(NC(=O)CN2CCN(c3nccc(C#N)n3)CC2)c(Br)cc1C 1851466321 UPBPJWKVBLZXES-UHFFFAOYSA-N 445.321 2.189 30 10 IEEE CN1CC[C@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)C1 1852536189 AKALDGKAYAXPHB-AZUAARDMSA-N 428.510 2.274 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)nc1C 1853068337 UAYZJUZXNBGAAU-UHFFFAOYSA-N 432.484 2.206 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccccc2C(F)(F)F)cc1 1860733751 RSZXVAKOQJINKT-JXMROGBWSA-N 426.416 2.294 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1861813720 JMRBCQORJMOAJS-LJQANCHMSA-N 425.441 2.472 30 10 IEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862476298 HVTIHVGFFKQKHO-NRFANRHFSA-N 438.480 2.317 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(F)c3)CC2=O)cc1 1870111004 SEVAYNLTTNPCPZ-OAHLLOKOSA-N 434.431 2.337 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN(CC)CCO 1870338064 SZZKNMTUMYXOPM-UHFFFAOYSA-N 429.517 2.265 30 10 IEEE C#CCOc1cn(CCc2ccccc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870559871 SOBZQLXWKWDWOJ-UHFFFAOYSA-N 429.524 2.215 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870711674 ULFMXLKCZSDUJO-UHFFFAOYSA-N 438.528 2.058 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(F)cc1 1874434120 OKHVIKDGMZWSPJ-FOKLQQMPSA-N 432.525 2.477 30 10 IEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)CC1 1890414816 WFZSLQYEWRBBGI-UHFFFAOYSA-N 441.597 2.260 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc21 1890858826 VIDLDOILQPUIML-MRXNPFEDSA-N 435.546 2.377 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cnn(C)c1I 1991586987 VXYPIHACOUXDOX-UHFFFAOYSA-N 434.278 2.226 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1cc(Br)cnc1C#N 2054338430 CAJKBEGPNLHAFF-UHFFFAOYSA-N 431.312 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2070054264 PFFVNOZWXXBCNM-HSZRJFAPSA-N 432.370 2.447 30 10 IEEE C=C(CS(=O)(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2243435913 YUWPYJCYTKQLLW-UHFFFAOYSA-N 428.360 2.057 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247905431 IEVCGWRBIKQDIG-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255617912 FKDKKCNGCWMTNJ-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638298 MXFCHAUGDOJYJG-JQWIXIFHSA-N 447.288 2.114 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255843636 JPVOGFHJCYDZBM-MNOVXSKESA-N 447.288 2.114 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2255866254 PEDNUGWQSYLLBE-IAGOWNOFSA-N 437.390 2.480 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2255953921 QHDLIDSHRRQXQQ-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C[C@H](CO)C1 2256677330 WITJUNFDNOTIRH-MIRVZWSXSA-N 436.358 2.442 30 10 IEEE CCN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267011641 IQQIARSBQDXWIA-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267268322 SQCSKTILIBDWQO-HUUCEWRRSA-N 446.357 2.199 30 10 IEEE CC1(C)OB(c2cncc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2267281555 WAOIGDIYKIJXAY-NRFANRHFSA-N 437.349 2.012 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267282039 ZMQZBFURAZFCHS-WNSKOXEYSA-N 443.353 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267552693 UYWYHSFWPCRIQF-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2267590112 KMWOIRFHYRESMW-UHFFFAOYSA-N 446.353 2.257 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)[C@@H]2C1 2267801181 AMIAHHRKYXUKOO-HZPDHXFCSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268634726 JVOQZPGNCJCOFI-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268718218 PLHBFEQMKRWMIH-JKSUJKDBSA-N 447.341 2.080 30 10 IEEE C#CCOc1c(I)cc(C=C2NC(=S)N(C)C2=O)cc1OCC 2297346832 LDQBBXWAVRKMEL-UHFFFAOYSA-N 442.278 2.389 30 10 IEEE CC[C@H](C)N1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 2297464017 ZVGIFTBMAZNHPQ-LBPRGKRZSA-N 432.571 2.402 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320555972 QROAUYOSRFKVRY-GOEBONIOSA-N 437.321 2.343 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccncc3)CC2=O)cc1 2325882536 AMQWNZCZYNMRDN-INIZCTEOSA-N 438.513 2.169 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO[C@@H]1C2 2334265409 IIUAPZSCBIDAAT-QCPUYCGNSA-N 448.325 2.133 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)n1C 2337404785 IECCEVRQIWJGLX-XMMPIXPASA-N 438.381 2.422 30 10 IEEE CN([C@@](C)(CNC(=O)OC(C)(C)C)C(=O)O)[C@@](C)(C#N)Cn1cc(Br)cn1 2377552073 JMJVPGZYKJOXHV-IRXDYDNUSA-N 444.330 2.228 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c1 20527498 RKUVDJNDBOABCT-ZVBGSRNCSA-N 431.453 2.022 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c2C)nn1 23570542 RKZBEZZLUSQZBW-UHFFFAOYSA-N 434.456 2.473 30 10 IEEE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 33386989 HVRDDPBPVBRVQL-ATVHPVEESA-N 443.598 2.095 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@@H]1c1ccco1 72461180 KGAMUZOPYJPTOE-DYVFJYSZSA-N 433.424 2.360 30 10 IEEE COc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc2c1OCCO2 109940581 UDLHGOKOWFQBGM-INIZCTEOSA-N 425.466 2.492 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)c(F)c1 481055392 HNMHXCSELGBJFM-OAHLLOKOSA-N 426.267 2.106 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(-c2ccc(F)cc2)c1=O 502058912 UEIBGEACQCDQPN-UHFFFAOYSA-N 448.454 2.297 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)C2=O)cc1 505664678 SUYUKJKWTGVRLX-PMACEKPBSA-N 436.537 2.465 30 10 IEEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 507523418 AGZNSLLCOKJDJI-RTBURBONSA-N 444.557 2.383 30 10 IEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508908931 WTVPMDPDKSSLST-UHFFFAOYSA-N 429.532 2.367 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccccc1C 514492194 GOODBGTXPKGCLU-UHFFFAOYSA-N 433.533 2.245 30 10 IEEE C[C@@H](C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1)n1cnc(C#N)n1 547385059 AVHGEBUQLPFYRY-SFHVURJKSA-N 430.516 2.109 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@@H]2CCCCO2)cc1 550004299 WFVKFMNZGJDTOY-CVDCTZTESA-N 436.516 2.014 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCOC1 550092610 CKGXPCVXTHUENS-HOCLYGCPSA-N 431.566 2.179 30 10 IEEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC3)CC1 580456031 KQTPEXKBNLKVES-SFHVURJKSA-N 448.571 2.064 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)CCc2ccc(Br)cc2)CC1 604180549 IYFNEGQEBXQBBS-MRXNPFEDSA-N 437.382 2.400 30 10 IEEE Cc1nc(=NC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)n(-c2ccc(C#N)cc2)[nH]1 741945518 COCUWBWLMIYABY-UHFFFAOYSA-N 427.461 2.443 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H](C)n1c(C)cc(O)cc1=O 764013795 DHPUMFISTFVNAC-JKSUJKDBSA-N 427.457 2.311 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCOC(F)(F)F)C1=O 788795805 QWXVWXYJCZAFBJ-AWEZNQCLSA-N 432.468 2.222 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O 790748704 PLSLSSJPVJRWAS-KURKYZTESA-N 449.646 2.374 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnn(CC(F)(F)F)c2)cc1Br 790836078 LHDJQRFLGXMAHM-UHFFFAOYSA-N 437.197 2.198 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)n(-c2cccc(F)c2)c1C 798745325 HILABSUNFNZKLZ-CQSZACIVSA-N 435.419 2.311 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1C#N 803221108 ZDNUMTPWHXVICQ-UHFFFAOYSA-N 426.542 2.273 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 809886453 ZQFAHMJBRSKBPI-OAHLLOKOSA-N 442.511 2.160 30 10 IEEE C#C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 811869965 DDUTVGHYZIHESY-QGZVFWFLSA-N 434.924 2.393 30 10 IEEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 915995026 CAGVNSXVTBEPEC-UHFFFAOYSA-N 431.499 2.170 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)C2)cc1 916775457 ABFCRDZPIHSMFM-IBGZPJMESA-N 425.510 2.365 30 10 IEEE COc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 1124494463 JLGKPQNEEXEFKS-UHFFFAOYSA-N 435.889 2.493 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1130689492 CVWRFQDVVYZOKZ-UKRRQHHQSA-N 436.306 2.225 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc4c(Br)cncc4s3)C[C@H]1CS(=O)(=O)C2 1134056807 VKYOYXZXVHJPLF-VFZGTOFNSA-N 426.317 2.069 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2)C1 1136755840 JOQYUEFVUMZSMD-POTGORPSSA-N 430.549 2.387 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CCCS(=O)(=O)C1 1160432994 FUKXCGIGRRLHFB-VQIMIIECSA-N 447.557 2.334 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 1167171821 SMSNSRGIWNTQSY-SJLPKXTDSA-N 438.427 2.263 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN(c4ccccc4C#N)CC3)OC2=O)C1 1167283581 HLVFJGUIUAIXMW-SFHVURJKSA-N 426.517 2.233 30 10 IEEE COCc1ccc([C@@H]2COCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1227632379 MXONCLKWBISQNB-UXHICEINSA-N 438.484 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1286304622 IRBJMCBOFYVKFF-BHYGNILZSA-N 430.553 2.033 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286508323 QOXRTCLUSMLQSP-QZTJIDSGSA-N 433.603 2.384 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286509040 LXETZBWYXYNQQN-RDJZCZTQSA-N 444.557 2.219 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2nc(C)no2)CC1 1286514791 PUXOHTHLGZXUAC-ROUUACIJSA-N 446.577 2.444 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCOC1 1286765248 DFFYFQYGIZGQDY-QGZVFWFLSA-N 434.562 2.414 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1286767102 GAEHBIPDSSMDQV-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(=O)OC)CC1 1286780233 RPYCPIGTCZQUQX-UHFFFAOYSA-N 449.458 2.238 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286782955 IQMBWXAUNZYWFB-FQEVSTJZSA-N 449.342 2.271 30 10 IEEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 1291594628 CTVMGYOUWXDICM-ILWGZMRPSA-N 439.537 2.435 30 10 IEEE Cn1cc(CNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 1296263869 FMOYKLYOHXSZBX-MBSDFSHPSA-N 439.516 2.335 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(NC(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296611060 DCRNQDIXDXETAI-QFIPXVFZSA-N 428.537 2.410 30 10 IEEE C=C(C)CCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1298204282 VZXIHTOHPQTFGZ-OAHLLOKOSA-N 431.352 2.065 30 10 IEEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1299929372 ONZSDOUBHBQDEP-NRFANRHFSA-N 438.532 2.268 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C[C@H]1CCCO1)C(F)(F)F 1300043295 MAQAFOFELFCJSU-IUODEOHRSA-N 433.452 2.122 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H](O)C1 1300300403 ZFDNCIBBQSZDDQ-ULQDDVLXSA-N 430.578 2.247 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1300960662 CGZUUPVSUMIERF-UHFFFAOYSA-N 430.582 2.107 30 10 IEEE C=CCCOCCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OCC)CCOC1 1301258906 CVVCPNWKQAGFHX-JOCHJYFZSA-N 429.521 2.186 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)CC1 1303009128 FQNQLZQPYMBWTC-UHFFFAOYSA-N 440.577 2.104 30 10 IEEE C#CCN(C(=O)C1CCN(Cc2nccn2C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656272 SYHMEBZXHIZZER-UHFFFAOYSA-N 443.592 2.493 30 10 IEEE C=CCNC(=O)CNC(=O)Nc1cc(Br)cc(I)c1 1311051127 RTXIRRQJCNTYGA-UHFFFAOYSA-N 438.063 2.477 30 10 IEEE N#C[C@]12CN(C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1312671103 DJAUMNKKHMNCLH-ILZDJORESA-N 437.949 2.387 30 10 IEEE COC(=O)[C@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1312921346 KPCVLKIHYXJVTK-GOSISDBHSA-N 442.516 2.304 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1313254900 DSIJHXSSEOFZFQ-HXUWFJFHSA-N 435.613 2.106 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(C#N)C1 1314551849 LNXQRFNONRRJJZ-IBGZPJMESA-N 436.607 2.390 30 10 IEEE CN(CCN1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1314872254 XDXULWNHAQCIHO-WOJBJXKFSA-N 442.564 2.478 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1358920759 HJQWTAKMWHJNRO-MSOLQXFVSA-N 427.553 2.337 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358967451 KRHOZUZVZCQORN-VQTJNVASSA-N 428.558 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(OC)ccc1OC 1358982514 ZTKHGEMXGVIBKJ-UHFFFAOYSA-N 449.536 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCCC1 1358997165 HKBOXSILSYWDLS-LJQANCHMSA-N 438.601 2.464 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)CCOC)CC1 1359030796 GBSRDSLUTKDQKC-QFIPXVFZSA-N 449.502 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(C)(F)F)CC1 1359043728 FWMMYESKBXFJLN-UHFFFAOYSA-N 448.474 2.017 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)F)CC1 1359059359 KNZWXBZIKVXHIU-UHFFFAOYSA-N 426.562 2.387 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1359144349 FVHMSAPXFQJRBH-CQSZACIVSA-N 425.942 2.173 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1359267632 MTKMNPXNYBETPX-SFHVURJKSA-N 443.573 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](COC)C1 1359328793 OMOFTVLOMXPNGB-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359344204 PFAIJZLSLYFQOK-GOSISDBHSA-N 427.578 2.223 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)C1 1360034214 CUEOEVYXJOTJGE-JOCHJYFZSA-N 438.576 2.382 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)c1 1442189502 WLINLKISKPUDGL-UHFFFAOYSA-N 435.521 2.424 30 10 IEEE C=CCOC[C@@H](NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)C(=O)OC 1448491904 CNIJZFPWGKTXLV-OAHLLOKOSA-N 437.493 2.263 30 10 IEEE C#C[C@@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1461712314 NJFYIRZIVZHPKL-CXAGYDPISA-N 428.348 2.404 30 10 IEEE COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1462494155 QKCNGNZRRHGZRB-SJORKVTESA-N 425.526 2.438 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1470958235 AXNHSKDBECBGHT-ZDUSSCGKSA-N 434.345 2.048 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccccc3CNS(C)(=O)=O)ccc2c1=O 1471342547 RHQNBANZMDFDSD-UHFFFAOYSA-N 444.538 2.173 30 10 IEEE CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1473904962 BFIYFZSOUMCALU-WOJBJXKFSA-N 435.613 2.400 30 10 IEEE C[C@@H](NC(=O)NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1478416029 CCVYPHNRLWAQIS-OAHLLOKOSA-N 427.530 2.076 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507514260 CHNXHVKAJOCMDZ-YRXWBPOGSA-N 438.642 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1ccnc1C 1507519728 JVOHCIAMZMYDAS-OAHLLOKOSA-N 440.577 2.210 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCn2ccnc2C1 1507604047 WNKVFTYKLOSUBL-INIZCTEOSA-N 436.516 2.499 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(F)(F)Br 1507642341 SLINNODWQFGFKZ-INIZCTEOSA-N 431.281 2.379 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507731668 OBEOADGZVMFVDV-RTBURBONSA-N 446.596 2.436 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507754172 LWXDZNXXWGCGSF-SJLPKXTDSA-N 445.593 2.461 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1507761321 LXBWITJFXUIROY-SSXYFDDISA-N 432.565 2.241 30 10 IEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508061574 QEXUWMNAJGBITK-AOMKIAJQSA-N 430.553 2.438 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1508095705 RLICITTZYBMYEI-HXUWFJFHSA-N 435.532 2.277 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CC)C1 1508122489 JFFYUHMINFAPLG-CVDCTZTESA-N 441.580 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CCC)C1 1508133933 POXDPKDOXXJHMW-GOSISDBHSA-N 449.533 2.459 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1509224407 AQDIKSMCLXUDEO-ROUUACIJSA-N 430.578 2.340 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1510105723 BZYNIEXZXGNLEQ-CVEARBPZSA-N 429.525 2.173 30 10 IEEE COCCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1519090716 JVRZFMNAHOMAGT-QFIPXVFZSA-N 448.527 2.456 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 1519324292 GJZFFUNZHQZMNR-LZNRXBQRSA-N 429.521 2.029 30 10 IEEE CSCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1520426079 HCSVHOZCOZOCDC-SJORKVTESA-N 442.593 2.302 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC(=O)N2CCCCC2)c1 1521074792 CVMVHEOAGWRPMK-IBGZPJMESA-N 449.559 2.311 30 10 IEEE N#Cc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1F 1528594076 GHQXYHXTLFYBJF-UHFFFAOYSA-N 426.473 2.175 30 10 IEEE CC(=O)N(C)c1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1533006596 KTSJHYUCIVJCMO-FQEVSTJZSA-N 433.468 2.062 30 10 IEEE CN(C)c1ccc([S@](C)(=O)=NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1534820836 BHEIDNAMBSQEGZ-NDEPHWFRSA-N 434.543 2.242 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)ccc1F 1539178152 OLXYTRJUYDWFLB-UHFFFAOYSA-N 432.399 2.161 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C1CC1 1539232521 GNSGPFQEZDQOSM-QGZVFWFLSA-N 438.963 2.417 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2cc(C)nc21 1539395221 AIDOMTXATQXWLE-SFHVURJKSA-N 448.531 2.094 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1539729722 KMXWOWLMXAAOMR-QGZVFWFLSA-N 439.568 2.388 30 10 IEEE CC(C)(C)N1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1541192799 QODGHBKUYHIDHZ-UHFFFAOYSA-N 425.537 2.338 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1546854425 KOKIQSANNJGHNS-CDMIOBSGSA-N 440.552 2.057 30 10 IEEE CCOc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1547968522 GVVUAYYAUHUHNR-SIKLNZKXSA-N 427.505 2.106 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCOCC(F)F)CC2)nc1 1555990398 ZGKJTVFKMWSZNQ-KRWDZBQOSA-N 447.490 2.395 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1558302146 AGTMCTQMKKORKB-UHFFFAOYSA-N 432.521 2.051 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1561828862 BTIOXCYIGXLRGO-IRXDYDNUSA-N 428.938 2.372 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)c1 1561873642 JCDCOOWUFCKHRF-OAQYLSRUSA-N 434.489 2.194 30 10 IEEE C#C[C@@H](NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 1564999297 IXSIEOLKZYIJKT-QZTJIDSGSA-N 427.501 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 1565758063 MMJKJCXZHHBPOT-WMZOPIPTSA-N 433.530 2.086 30 10 IEEE C=CCC[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OCC 1569184729 YCCZIVMXNLRYTI-HXUWFJFHSA-N 447.557 2.428 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@H]1CO 1587604289 VCXKRLLZZMASPQ-MJGOQNOKSA-N 425.533 2.369 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1587683426 JPBKOZVMGRMJRT-ZACQAIPSSA-N 432.569 2.423 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1587904409 GODVDPBFNNMTQF-KRWDZBQOSA-N 429.546 2.041 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1588006889 SDGJNGUYLCZLOI-QFIPXVFZSA-N 425.577 2.498 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588029287 FSMLPXYUBQTXDH-BOCKYXSRSA-N 442.585 2.252 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588045436 KSVTUSVGJXGJAO-INIZCTEOSA-N 434.587 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1588128805 SZLICYAWRMMLMN-LJQANCHMSA-N 442.523 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@H](CO)O1 1589185728 HYMHVZRDYHORSC-YZZKKUAISA-N 426.517 2.494 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593721971 IFZCNOOKXLCPCD-HSZRJFAPSA-N 438.532 2.352 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 1594582435 QXCDFWOQTNRYKG-IBGZPJMESA-N 445.589 2.226 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1594812196 CYTHIDVWACGTLS-LPHOPBHVSA-N 427.505 2.050 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCS(C)(=O)=O 1597131655 GMLQYMOEHNDSFW-UHFFFAOYSA-N 430.578 2.209 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)NC2CC2)C1 1620346267 WOPYKEUNTZPVPU-FQEVSTJZSA-N 427.440 2.354 30 10 IEEE C#CCN(CC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)C(=O)OC(C)(C)C 1625101674 OGQXJAGWYAKOMK-UHFFFAOYSA-N 447.483 2.466 30 10 IEEE C=CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC 1625219961 CFURKFDKUZCAAW-PWRODBHTSA-N 437.496 2.146 30 10 IEEE C=C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1632294843 FJIDSKYLOJSMPZ-JOCHJYFZSA-N 443.569 2.233 30 10 IEEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1634554929 MFMQALNIDANNLJ-INIZCTEOSA-N 441.956 2.094 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(N)=O)c2ccccc2Cl)s1 1635028334 DGCUJGFOAGXWKS-OAHLLOKOSA-N 441.962 2.141 30 10 IEEE N#CC[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C(F)(F)F 1645010483 WRGCCALVQBQUSM-INIZCTEOSA-N 427.404 2.445 30 10 IEEE Cc1cc(O)nc(N2CCC[C@H](NC(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)n1 1645352886 DVOUEYMITNQKTF-SFHVURJKSA-N 436.516 2.303 30 10 IEEE C#CCOc1ccc(C(=O)N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 1652675883 SZCQCIDEYTWHBL-SFHVURJKSA-N 428.485 2.181 30 10 IEEE N#Cc1ccc(Br)c(Cn2c(=O)oc3cc(S(=O)(=O)CCO)ccc32)c1 1652796463 ASSRFUNBRGORGN-UHFFFAOYSA-N 437.271 2.043 30 10 IEEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 1655637792 UQORKLSUNXPWLO-UHFFFAOYSA-N 427.954 2.033 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 1664000139 AEQFVJSOACCDAO-HNNXBMFYSA-N 447.504 2.429 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)c1 1664062193 JUUIGLMRAKPZMX-UHFFFAOYSA-N 438.546 2.019 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(=O)OC)C4)C3)cc21 1680805908 FKVUPHPVJHGHGR-FIWNRLKKSA-N 446.529 2.243 30 10 IEEE C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 1681362503 BTOZQANHRDZKSA-IFXJQAMLSA-N 441.511 2.329 30 10 IEEE COC(=O)C1(CCCCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 1682226606 NCBDJMFQTPMKIK-LJQANCHMSA-N 426.517 2.472 30 10 IEEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1683521519 GZBCDLFHANCCBY-FQEVSTJZSA-N 435.594 2.433 30 10 IEEE C#CCCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1689906299 KPVVLPXNAIYANT-HSZRJFAPSA-N 444.580 2.118 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1689998797 WVJRMJIPNPZTAV-AZUAARDMSA-N 444.557 2.203 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCOC[C@@H]1OC 1690087307 RVMKQBYLIJFQJW-QUCCMNQESA-N 443.523 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(-c2nc[nH]n2)cc1 1690105042 QNKTXMDGDIHIQW-UHFFFAOYSA-N 428.500 2.183 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCn2cccn2)CC1 1690142866 VWWOVIIXJHTQAD-UHFFFAOYSA-N 447.543 2.206 30 10 IEEE C=C(C)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690297720 DPYLIOAUXJOVTR-IYBDPMFKSA-N 430.553 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)CC(C)(C)CN1CCOCC1 1690666772 GCRHPVVWVKXLCJ-UHFFFAOYSA-N 440.592 2.350 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCCN(CC)C(=O)C1 1690677461 XHQMPIQPWCUJFR-UHFFFAOYSA-N 442.589 2.240 30 10 IEEE CC(C)c1nnc(N2CCCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1691846841 KWEDECMYACWMQR-LSDHQDQOSA-N 441.580 2.383 30 10 IEEE CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1692432930 KXORLMIHAZADRQ-KRWDZBQOSA-N 433.516 2.470 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@](C)(O)c2ccc(F)cc2)CCOC1 1696053155 GMOBPMDBAYCFEL-FDFHNCONSA-N 447.486 2.419 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2CC2(O)CCC2)c1 1698486836 SMANKASDFHVHOZ-UHFFFAOYSA-N 439.438 2.109 30 10 IEEE C#CCCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705522037 SSRJGWZAWBUQPT-REWPJTCUSA-N 426.565 2.299 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705523754 XTUKXINOKRCJGL-SFHVURJKSA-N 435.532 2.081 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc(Br)ccc1OC 1705571946 MDNZQKGBLQTAKE-UHFFFAOYSA-N 444.333 2.309 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705572158 SGRQRUJAEYAGFO-ZWKOTPCHSA-N 434.949 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](SC)C(C)(C)C 1705588402 DWSLPFSYECFINH-CVEARBPZSA-N 425.624 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCOc1ccc(F)c(F)c1 1705600754 LHPRMFBFOWTVTA-UHFFFAOYSA-N 427.455 2.221 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCCCC1 1705601167 ADZLYAMEJZHSKT-UHFFFAOYSA-N 425.558 2.428 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cccnc1N1CCOCC1 1705615733 GNJACIHKWOQZQW-UHFFFAOYSA-N 437.573 2.373 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnnn1C 1705670000 FACLGTGDQKAIMW-JOCHJYFZSA-N 437.504 2.140 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1705674682 OGKNGTVGWDHUOT-VGOFRKELSA-N 447.605 2.011 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@H](C)C1 1705704531 VZDDWXOXLDROFR-SBHAEUEKSA-N 428.581 2.422 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1705717655 OWERBICZIWLBHR-LJQANCHMSA-N 445.589 2.321 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1705802697 SWGBKDCFBLWNBO-UHFFFAOYSA-N 425.541 2.181 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO[C@H]2C(C)C)n1 1707832439 BYVNSFOYYNUORY-SBHAEUEKSA-N 427.553 2.320 30 10 IEEE CC[C@H](C)c1nnc(N(C)CCc2nccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1708408242 KGOOLJMDAFDOEN-HMWBCQRISA-N 429.550 2.453 30 10 IEEE COCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1712393435 KWARVQYKVWSPHW-INIZCTEOSA-N 437.504 2.001 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722366457 QDXUJSHMHNALNE-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1722368810 SXNILCNJYRTWRW-SFHVURJKSA-N 429.546 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1-n1cccn1 1722390088 AVFJMUFJWKVNKN-XMMPIXPASA-N 445.527 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccn(C)n1 1722390139 OZTUSFZHQYSOKO-UHFFFAOYSA-N 434.500 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cc(C)nn2C)CC1 1722449024 LCBLDKTZYGRGRB-UHFFFAOYSA-N 449.534 2.064 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1722510235 SGOOKYFFNPVKHX-RXVVDRJESA-N 432.613 2.106 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)OCCc2sccc21 1722679822 MTYBBXRFEFYIBN-IIBYNOLFSA-N 431.562 2.418 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1722688591 GQKTYXSDXWZEPC-QKKBWIMNSA-N 446.939 2.075 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1722738623 MNSYIYBOTQPTTE-ZACQAIPSSA-N 426.608 2.105 30 10 IEEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)cs1 1725222689 IKFPVIHNPDICFU-INIZCTEOSA-N 430.626 2.256 30 10 IEEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1727238405 GSOBCYUXIIBDCT-JLTOFOAXSA-N 437.520 2.162 30 10 IEEE CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1727273006 FSZZLXQNFGGDFS-HXUWFJFHSA-N 432.532 2.282 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)C1 1729764359 BGZVXVQPAREWEY-IBGZPJMESA-N 436.516 2.219 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740576389 WBSUSDRXVXQNNR-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740590285 KPQWHAGDDNEFBU-ZWKOTPCHSA-N 427.553 2.414 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740619454 IUZCOURETFZENN-UYAOXDASSA-N 427.574 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1740639489 VGDQNCSJBFQWRT-UHFFFAOYSA-N 438.495 2.176 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740848513 LGGDSKHLIZWVKO-KRWDZBQOSA-N 439.564 2.205 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(OC)c2)C1 1740984122 WKXPWAWNLXYMFN-FQEVSTJZSA-N 425.533 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](OC)C(F)(F)F)C1 1740984322 ZTPHFLNGYLAXJL-HUUCEWRRSA-N 431.459 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740990486 AYTUMQJZPYAQPU-KRWDZBQOSA-N 437.610 2.278 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1741285661 WAOWSBHZSNVNKL-SFHVURJKSA-N 437.548 2.071 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1741868849 DRWIQXSYBAYJQQ-KKSFZXQISA-N 426.500 2.099 30 10 IEEE Cc1nccnc1CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1742646609 DCPPBJYKNSNKPK-QGZVFWFLSA-N 446.563 2.195 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1748672716 XECLJLXQCMKVAL-NVXWUHKLSA-N 430.509 2.389 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1S(C)(=O)=O 1748686200 KTOWOBZKTHPTFW-IEBWSBKVSA-N 445.589 2.301 30 10 IEEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(C)(=O)=O)cc1 1748720253 HXTCICLEHDKETB-OAQYLSRUSA-N 431.562 2.247 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)c1 1748962847 SBRSJICEFWUEBP-OAQYLSRUSA-N 439.560 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC=C 1749054190 PKPGOIBDUXVEIP-VGOFRKELSA-N 443.573 2.494 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749083354 DZIYLMVSCUMWRI-DZGCQCFKSA-N 444.374 2.345 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1749243873 ABLPEKZHDIAGGZ-NUJGCVRESA-N 431.562 2.200 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749343766 RVEIXNBHHZTWMO-UHFFFAOYSA-N 448.564 2.350 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)C1 1749701579 WQSLBXAVECZRJT-QGZVFWFLSA-N 439.969 2.319 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(C)C 1750031007 UHCJDFVERIKRCJ-ROUUACIJSA-N 442.568 2.425 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCSc2ccc(C)cc2)CC1 1760252935 YGXMTYBRXHAERE-UHFFFAOYSA-N 438.601 2.370 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN1CCOCC1(C)C 1760298656 PTBDDAGUAVDJDL-HSZRJFAPSA-N 425.581 2.243 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1760513895 ITCDKPKUMCKPNN-HKUYNNGSSA-N 425.533 2.212 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760519890 SSHSHCAXGYDQAI-HXUWFJFHSA-N 449.559 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCCC2)C1 1760548933 SQTOUHYTWILBSA-UHFFFAOYSA-N 444.561 2.297 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2c(F)cc(F)cc2C1 1760557935 AURCKWNPTVMQCG-UHFFFAOYSA-N 426.489 2.256 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 1762612288 WIMDJMGTDBXVSV-OAHLLOKOSA-N 435.511 2.217 30 10 IEEE CC[C@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1763373805 FHIIMQGCKDMXGS-QYWGDWMGSA-N 436.557 2.486 30 10 IEEE CCN(C)C(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1766386154 NMZJWUSQMGILGM-HSZRJFAPSA-N 440.548 2.305 30 10 IEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)OC(C)(C)C)CC1=O 1767521469 MMUVFJHRECJJDQ-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)C(F)(F)F 1768060662 NYZUIIPEPGVNGY-VBQJREDUSA-N 449.499 2.278 30 10 IEEE COCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1769715867 RPFYAZSSDCTNMM-AWEZNQCLSA-N 436.310 2.481 30 10 IEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1770194288 QWAWHJMFAWCWHF-UHFFFAOYSA-N 447.499 2.008 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1851275454 DNTSABHJNRTODM-UHFFFAOYSA-N 427.408 2.354 30 10 IEEE N#Cc1ccc(N(C(=O)CCCN2CCS(=O)(=O)CC2)c2nccc(Cl)n2)cc1 1852395373 JUQADWYYLCMIEW-UHFFFAOYSA-N 433.921 2.177 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1854599848 ULHCIYSUUIDWDP-GOSISDBHSA-N 439.965 2.130 30 10 IEEE CCOc1ccccc1CCC(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1855049435 YCZUSGINBAXDGK-SFHVURJKSA-N 430.482 2.437 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc4c(c3)CCCC4)C(=O)O2)CC1 1856653576 XVIWCUWMXQRGFL-LJQANCHMSA-N 431.514 2.092 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)[C@@H]3CCCO3)cc21 1858751873 NUNQFGYVQXILNP-FQEVSTJZSA-N 437.452 2.372 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1CCN(C)CC1 1861964129 PABDBUAJPYMKCW-JOCHJYFZSA-N 427.545 2.182 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695524 GONHNMZCIUQXRR-BLVKFPJESA-N 443.452 2.377 30 10 IEEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870350034 NCQMACZHBQGOCO-HDICACEKSA-N 438.528 2.044 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(F)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873594717 ZHERNGVJLMZBDL-UHFFFAOYSA-N 436.491 2.355 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN(C(C)C)C(C)C 1889778174 OFXICZZMOLOUSP-FQEVSTJZSA-N 436.622 2.031 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)(C)S 1990680422 MUYAIUVBPKVRJE-JKSUJKDBSA-N 439.578 2.290 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523322 DUTVGVVZYBRPKY-INIZCTEOSA-N 448.325 2.381 30 10 IEEE CO[C@H]1C[C@H](OC)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172779126 YHQISBWJTBLUOZ-KBPBESRZSA-N 427.148 2.383 30 10 IEEE C#CCN(CCO)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229104732 BXCOFKOIJPQBTG-INIZCTEOSA-N 425.323 2.339 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C 2247920245 WIRDIGWOAXIBBI-ZDUSSCGKSA-N 437.371 2.490 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247963279 WDCYRKIDWAHRIB-HRCADAONSA-N 442.387 2.349 30 10 IEEE CC1(C)OB(c2cccc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2248584056 SALANRYIOHEGHJ-UHFFFAOYSA-N 431.319 2.261 30 10 IEEE COC(=O)C1(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)C1 2255597328 PXZYTQDLTKUFOI-UHFFFAOYSA-N 438.330 2.138 30 10 IEEE C[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCN1C(=O)OC(C)(C)C 2255632522 NYHGCLMAVISDKY-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2255769846 NHMPFISSIUMZTL-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE C[C@@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2255818471 LNVRIHOGGPMRCO-DGCLKSJQSA-N 430.232 2.108 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCNC(=O)OC(C)(C)C)c1 2255821140 AYYNINSGGTXIHP-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066328 AOQKXOQHCLMZHM-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256594908 FGHNGBSRXXEWMW-UHFFFAOYSA-N 430.274 2.098 30 10 IEEE Cn1nc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267133037 XMURUYLWCHEPTD-LSDHHAIUSA-N 448.373 2.141 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267135730 FUHADUUXKWHILK-SHTZXODSSA-N 448.373 2.061 30 10 IEEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267144383 VUIOKZSOFUEWJR-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cc1c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267147949 YBJKBGTYDHZBKN-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1 2267150620 VBBQRKWLOVZLHP-GDBMZVCRSA-N 448.373 2.187 30 10 IEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267176116 VPUWUEMHSCAFNN-UHFFFAOYSA-N 448.373 2.493 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178466 CBJLTOWCCBIVRI-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267179239 NHHTVKGFMNFHRE-DEOSSOPVSA-N 440.349 2.288 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267187890 FDOJLCHALKTNDI-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1Cc1ccccc1 2267506129 SNIJFWGRXDJILX-GOSISDBHSA-N 438.381 2.456 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1 2267599042 JDPWPKDBACURKF-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE CC1([C@H]2CCCCN2S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)OCCO1 2282336601 AGNGQYVHXPHMIV-OAHLLOKOSA-N 443.396 2.354 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 2282600072 SFOPKIYAKHATTL-IBGZPJMESA-N 449.364 2.052 30 10 IEEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2302955227 LNDMATCLJJQDBO-HXUWFJFHSA-N 449.617 2.182 30 10 IEEE Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(B2OC(C)(C)C(C)(C)O2)c1 2320558148 MLPXAEXWDJBFSB-RTBURBONSA-N 432.370 2.364 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306217 GTLHFTURPZDBNO-CQSZACIVSA-N 437.321 2.250 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccncc1 2330721915 SFPIDSSVJKKTOL-UHFFFAOYSA-N 427.465 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3C[C@@H]4C(B5OC(C)(C)C(C)(C)O5)[C@H]4C3)[C@@H]2C1 2331229052 LTRXKVAXWIMWMD-WOYTXXSLSA-N 448.369 2.419 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2337193168 BZMJTKQUIASXOJ-CABCVRRESA-N 448.373 2.285 30 10 IEEE Cc1nc(S(=O)(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c(Br)n1C 2342572603 GUQHHRWAPQZMNK-NSHDSACASA-N 434.165 2.348 30 10 IEEE C[C@H](C#CC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O)NC(=O)OC(C)(C)C 2366842517 MGWIKXLEAYFOFG-IUODEOHRSA-N 439.306 2.478 30 10 IEEE N=C1S[C@@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1/N=C/c1ccc2c(c1)OCO2 20438122 JTJUNBIZALRNES-UTIFJUKKSA-N 440.437 2.355 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N(CCC#N)CCC#N)CC3)CC2=O)cc1 21449576 RBEWARVHUCGJSY-FQEVSTJZSA-N 435.528 2.242 30 10 IEEE CCOC(=O)c1sc(NN=C2C(=O)N(c3ccccc3)N=C2N)c(C(=O)OCC)c1C 263630240 QATCFYALLKUORE-UHFFFAOYSA-N 443.485 2.497 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 409472095 VNWVUQVKCQRIOO-QHCPKHFHSA-N 446.507 2.009 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 428302343 QKKGQSXNIBWKLE-OAQYLSRUSA-N 432.528 2.019 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CN(CC(F)F)C2)CC1 469659630 HGXLQUDAGDNQGL-MRXNPFEDSA-N 427.293 2.355 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nnc1-c1ccccn1 481375737 QKHHVKHCHCEONK-QGZVFWFLSA-N 430.578 2.091 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCCCC1 503883646 JNWKWSVOJJFLHB-UHFFFAOYSA-N 425.576 2.484 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)c3cnc4c(c3)c(O)nc(=O)n4C3CC3)CC2)cc1 527187561 OOFZOQUZTXUILK-UHFFFAOYSA-N 431.452 2.387 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 539372591 AOSSYQIUBIZGIJ-IRXDYDNUSA-N 444.532 2.270 30 10 IEEE COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1C 539503470 WWDUYZZXSPNITD-CQSZACIVSA-N 440.485 2.467 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cn(-c2ccccc2)nn1 541689879 LOSFWNJHMLMEMW-FDDCHVKYSA-N 447.518 2.466 30 10 IEEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)CC3(C#N)CCCC3)CC2)cc1OC 544712983 CIVHTDXGHRAQGL-UHFFFAOYSA-N 435.546 2.312 30 10 IEEE N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2Cc2ccccc2)CCO1 555142096 GLBINMQZHAIJBX-FQEVSTJZSA-N 430.516 2.229 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 564381253 TZYCXARZFYUKQV-NEWSRXKRSA-N 431.562 2.179 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 576743153 KWOPBZZFDYOZEH-SFHVURJKSA-N 435.525 2.105 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1OC 586072644 KGPAPAGBDWPPQK-QGZVFWFLSA-N 429.498 2.159 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(F)cc1 603786849 RBDPMACBLBJJGZ-UHFFFAOYSA-N 441.434 2.098 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603953071 LYGINQSKFKFSMU-UHFFFAOYSA-N 437.502 2.388 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)n1 606727126 MZKKLBMITRNJDP-UHFFFAOYSA-N 429.480 2.061 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 611604111 LNKZYRDEFUZBCO-HNNXBMFYSA-N 441.481 2.431 30 10 IEEE Cc1sc(NC(=O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(C#N)c1C 613784851 LYSIAJHUBADBBT-UHFFFAOYSA-N 430.555 2.252 30 10 IEEE COC(=O)[C@H]1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)c(OCC(F)(F)F)n1 725395745 FZNYGQQAYOROON-CYBMUJFWSA-N 445.247 2.249 30 10 IEEE N#Cc1ccc(N2CCN(CN3C(=O)N[C@](c4ccccc4)(C(F)(F)F)C3=O)CC2)nc1 728561600 RBWPJAWLNBSUAL-FQEVSTJZSA-N 444.417 2.042 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 759395390 NHJSUKLGVTZBDD-OAHLLOKOSA-N 443.472 2.397 30 10 IEEE COCCOc1cn(-c2ccccc2)nc1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760400659 CUQUZZZACALPBK-UHFFFAOYSA-N 446.529 2.431 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c(C)o1 767959470 RHCPPKLTDIPONW-UHFFFAOYSA-N 447.516 2.080 30 10 IEEE N#Cc1ccc(CN2C(=O)CN(CN3CCC4(CC3)C[C@@H]4C(=O)N3CCCCC3)C2=O)cc1 770679595 SHMJNBMWIBPZJL-OAQYLSRUSA-N 449.555 2.395 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 780256850 ZWSGNMZNDRFQNJ-KNXBSLHKSA-N 431.489 2.058 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](OC(F)F)C1 781416560 VZOIMFKJMNEWIH-ZFWWWQNUSA-N 429.489 2.370 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3ccc(N4CCCC4=O)cc3)CC2)c1C#N 788098655 WFOXUIMUEANOAC-MRXNPFEDSA-N 435.532 2.320 30 10 IEEE COc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)c1OC 789969179 URFSBZFEYRTPHU-HNNXBMFYSA-N 428.518 2.324 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c(F)c1 790868565 ZWXVYWUZMKLKSG-MRXNPFEDSA-N 426.853 2.275 30 10 IEEE O=S(=O)(Nc1ccccn1)c1ccc(NN=Cc2cnnn2Cc2ccccc2)nc1 792974823 WKGSSEAICPWDMH-UHFFFAOYSA-N 434.485 2.363 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C(C)(C)C)cn1 796419923 RYTRRLUFPWDJIH-SVFBPWRDSA-N 449.511 2.329 30 10 IEEE N#Cc1ccc(C(=O)NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)o1 797244536 WEBXXIDEMIAFGM-UHFFFAOYSA-N 429.639 2.334 30 10 IEEE C[C@@H](CN1CCCC1=O)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 917681445 QFUQNQKJFCEYRS-GUYCJALGSA-N 432.521 2.437 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc(OC)c1 1084509537 JNEGPQSWLLMVEL-UHFFFAOYSA-N 444.521 2.349 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(S(N)(=O)=O)sc2C)cc1C 1115913031 BKCKBTQIIJBTAT-UHFFFAOYSA-N 435.527 2.424 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 1125087699 OWZAOAYLHLQYOQ-AWEZNQCLSA-N 440.518 2.433 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)C1CCN(S(=O)(=O)c3cccnc3Cl)CC1)C2 1132643433 OYNDUUDVBJEUEW-GOSISDBHSA-N 444.944 2.291 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)[C@H](C#N)C1 1137214912 HHZZEQSEZYZRLJ-CYBMUJFWSA-N 442.925 2.297 30 10 IEEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 1137884685 HUQSMIKHBAICKG-KRWDZBQOSA-N 427.457 2.164 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(C(F)(F)F)no1 1138143189 CVNFIGIGBBMFPD-UHFFFAOYSA-N 445.423 2.004 30 10 IEEE COC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1138222567 CDWOEMLITUURKP-MRXNPFEDSA-N 445.497 2.271 30 10 IEEE Cn1ccnc1[C@@](O)(CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F 1142041248 NHYWTIMUENEFGS-ACJLOTCBSA-N 447.458 2.263 30 10 IEEE N#Cc1cn(CC(=O)NCCOc2ccc(Cl)cc2)nc1I 1166399470 IHTHURVOHRJOJK-UHFFFAOYSA-N 430.633 2.208 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1Br 1185675540 PWVXBHMLGJXTLG-AWEZNQCLSA-N 442.356 2.413 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](n2cncn2)C(F)(F)F)cc1 1214687551 SBWNVRCMXVVUIQ-AWEZNQCLSA-N 432.428 2.010 30 10 IEEE COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cnn(CCC#N)c1C 1264132428 QQAVTYLEFWMPGF-GOSISDBHSA-N 426.473 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCn1cc(Br)cn1 1286411430 TXUGPORDDFCFOE-UHFFFAOYSA-N 438.333 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@H]1C 1286419140 NTZPDZWEJOMUGR-YADARESESA-N 435.528 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCc1ccc(S(N)(=O)=O)cc1 1286422984 HHNUEMRTTALARV-UHFFFAOYSA-N 437.525 2.200 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1286493182 LXVRFOBKCXBLQQ-DVECYGJZSA-N 443.592 2.171 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286602998 IJNLJPGUHQGJRP-QFIPXVFZSA-N 441.557 2.424 30 10 IEEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286662744 WXWBBKPAKXVQPF-LJQANCHMSA-N 430.578 2.090 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1286788288 UDPBLMWNHYUCAG-IBGZPJMESA-N 446.502 2.427 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286798405 HMKPZKGFJQBZDL-FQEVSTJZSA-N 425.533 2.281 30 10 IEEE C=CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1286834426 DVZMIRQCKHWPEB-HMFYCAOWSA-N 449.621 2.485 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1286970864 YEJIISKUPQQFSE-HOTGVXAUSA-N 435.525 2.384 30 10 IEEE NC(=O)c1ccc(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 1289424422 JSCKFBFHMHBGKX-RKDXNWHRSA-N 431.283 2.352 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1295372895 WMJYRKBVOMFCJN-OLZOCXBDSA-N 449.392 2.325 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300361269 DBMLURCIRJLUQD-PMACEKPBSA-N 430.597 2.012 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300431612 YFCHZSOFZUXUJL-BZUAXINKSA-N 425.599 2.188 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1300502195 RJFKOPMYTXVBBB-MRXNPFEDSA-N 433.603 2.119 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nncn1CC 1300520928 PPARXDRUNHXNFM-UHFFFAOYSA-N 433.516 2.473 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)C1CCCCC1 1300559707 YGHJCIWREPCNLC-DEOSSOPVSA-N 441.576 2.184 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N(CC)CC)CC1 1300709747 DHZOXUOCEZDUGW-LJQANCHMSA-N 428.556 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(F)c(C)c2)CC1 1300720014 ZCZQHHRVKIDNIE-UHFFFAOYSA-N 433.491 2.197 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1300768694 VYGFOROPTLXVAQ-UHFFFAOYSA-N 427.578 2.317 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301257461 ADCWYALTYCOUJZ-GOSISDBHSA-N 434.585 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1301585253 JILPDCFFUTVBEY-SFHVURJKSA-N 443.573 2.246 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1302190558 XBCIPVVTZODQDD-NRFANRHFSA-N 439.516 2.317 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCO[C@H]2CCOC2)cc1 1302989942 WLJUAWVQQUYWLH-ICSRJNTNSA-N 438.532 2.104 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 1304675780 LTTPEMCTIDRKRD-CZUORRHYSA-N 447.565 2.276 30 10 IEEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)s1 1304691134 SDHJLBNGPRKRSL-UHFFFAOYSA-N 445.574 2.157 30 10 IEEE Cn1ccnc1[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 1304784161 QYZDCFYYHLGTKW-FQEVSTJZSA-N 444.463 2.391 30 10 IEEE Cn1cc([C@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)cn1 1308079267 GGNHUNPJGMQZTM-QGZVFWFLSA-N 447.586 2.032 30 10 IEEE C#CCN(C(=O)NCCOCC(=O)OC)[C@H]1CCOc2ccc(Br)cc21 1313116224 HPIZSDARAYJEBX-HNNXBMFYSA-N 425.279 2.107 30 10 IEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1315961471 IBVOCFHOVPXUFA-UHFFFAOYSA-N 431.562 2.360 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)cc1 1316531269 RAGQLQPCXQBYQQ-REWPJTCUSA-N 437.523 2.496 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1351734755 BGMJQPUVGDEICZ-UHFFFAOYSA-N 439.403 2.042 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358991067 MVLDANXFJRLGPH-PMACEKPBSA-N 448.550 2.093 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1COCCO1 1359018080 CRBCGUPGIGOOKE-TYPHKJRUSA-N 444.507 2.196 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCN2CC)CC1 1359046631 ZSVJRKUUVATLBM-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359049045 GZQMQNPKBBYMES-ZFWWWQNUSA-N 447.577 2.126 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1359063079 FHKMQNPMELZYHZ-XMMPIXPASA-N 443.511 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359104106 YBRCGWTUMNNROE-JYLXEMOASA-N 432.565 2.352 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359219748 BLXIDRGNTDOFKK-IBGZPJMESA-N 449.515 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1359298323 VQQHHRVBCUBMSB-UHFFFAOYSA-N 440.455 2.093 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCNC(=O)OC(C)(C)C)C1 1359321010 YTQFTPLFTACIGP-DLBZAZTESA-N 448.568 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CCC)C1 1359328945 TUXFIGJFRPSQEL-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1360606304 BQGXFWCBYRMOKE-CVEARBPZSA-N 433.557 2.413 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c1 1467367977 LJBRWGJJTYJXKR-UHFFFAOYSA-N 431.493 2.071 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1468145832 SCCGNMGLUSZWFW-MSOLQXFVSA-N 430.482 2.332 30 10 IEEE C#C[C@H](NC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)C1CCOCC1 1468323249 QKUIMKVQAWHXDZ-NRFANRHFSA-N 433.574 2.177 30 10 IEEE CC(C)Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C)C)cc1 1478768777 DPDQEFZHNYBFCJ-TUNNFDKTSA-N 432.590 2.068 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1501749011 KOHGHWYBUPIRHX-XMMPIXPASA-N 449.559 2.182 30 10 IEEE CN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1503429369 YAORKMPLUZULHE-YGCDDZCOSA-N 428.537 2.467 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1503759571 BUOAPHAIGIVAHI-QUCCMNQESA-N 436.516 2.036 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1504611249 FVEGBHAIAUICBZ-INIZCTEOSA-N 432.500 2.064 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1ccccc1 1505083246 WWDGVRPVKWPLOM-XEYPJELSSA-N 427.505 2.198 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCCCCCO)cc1 1505319004 PKPFDWRWFOQSQD-HSZRJFAPSA-N 438.532 2.140 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507563455 VYEJFITUHBZQHR-SFHVURJKSA-N 440.525 2.104 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1507593465 PLWNPWHJUIVICS-FQEVSTJZSA-N 448.571 2.460 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631516 FEAIMQUHUGOYBO-ICSRJNTNSA-N 444.557 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cnn(C)c1 1507671209 FVGCMNZVKYMGMR-OAQYLSRUSA-N 428.544 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Cl)cn1 1507673436 VDJLRYJCHFCUGD-UHFFFAOYSA-N 441.948 2.283 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507759187 CJMYQXCCOBYHKT-GOSISDBHSA-N 439.541 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1507762490 ZTXUTUBZVOGXSI-AUUYWEPGSA-N 431.338 2.317 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1507773522 RYRMGSIJOQIYSH-ZPMCFJSWSA-N 428.558 2.080 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCCC1 1508137287 ZKOYZUGZZIERKK-UHFFFAOYSA-N 428.356 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1C(C)(C)C 1508148085 FXVXAXNDSDIFJC-QGZVFWFLSA-N 440.610 2.198 30 10 IEEE C[C@@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512150904 VOVDGNYLYZAIAM-JROKQLJMSA-N 428.537 2.325 30 10 IEEE COc1ccc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 1516185287 QPUUPONYMJBXNS-NKFKGCMQSA-N 432.502 2.058 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1518531760 FEOWEEBAHQXUDW-LEWJYISDSA-N 444.536 2.499 30 10 IEEE CCOc1ccc(NC(=O)c2sccc2CC#N)cc1S(=O)(=O)N1CCOCC1 1525319295 XWEJEVYPXIXFMF-UHFFFAOYSA-N 435.527 2.486 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)c2C#N)C1 1529939174 TUYSFXXUVUTORC-OAQYLSRUSA-N 448.545 2.489 30 10 IEEE CCCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 1534268719 QPGDZVMYHSLMSD-IHIJCHFRSA-N 434.562 2.477 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1539142190 MRGWVTDMLCTDLB-ZJOUEHCJSA-N 439.564 2.311 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1539231807 YKVBONSCBDAZED-IBGZPJMESA-N 446.573 2.137 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1c(C)noc1C 1539395640 FSHHCNVWGVODED-OAHLLOKOSA-N 437.504 2.420 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539758582 OWDNCZJRUJRZEF-XEWABKELSA-N 445.589 2.460 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1ccnc1C 1540084791 ZGATWBIPDXUVPT-UHFFFAOYSA-N 434.592 2.470 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1540866498 PAAKRBIYSGTRJE-CQSZACIVSA-N 447.923 2.299 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1540874002 RKWCVPPPVUWFOF-AWEZNQCLSA-N 432.475 2.178 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC2CCCC2)CC1 1540876823 BVPRAQPFJWHASE-UWJYYQICSA-N 447.580 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1540886816 JURKIBAIOXACIV-IAGOWNOFSA-N 435.550 2.052 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1540900428 VKLHLPJIIMRFLV-SFHVURJKSA-N 445.589 2.349 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c1 1543423166 XSNDFPNICMFQOX-UHFFFAOYSA-N 444.488 2.464 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c1 1543677631 ACYPKVBRUHTIIW-MRXNPFEDSA-N 435.864 2.312 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc(OC)c1OC 1544487231 UTCUIXPFEGTKOA-HUUCEWRRSA-N 446.481 2.018 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555492066 DYWWXDCBXMBIIX-QGZVFWFLSA-N 443.515 2.230 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1555707155 KOTNVJNUARYRBU-OAQYLSRUSA-N 441.532 2.397 30 10 IEEE C#Cc1ccc(CNC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1564788198 KIMXXMAUNGKQPI-GOSISDBHSA-N 427.501 2.219 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C(F)(F)F 1565253304 KCPBCVOMEVWNCY-NKWVEPMBSA-N 436.321 2.071 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCc1coc(-c2ccc(C)cc2)n1)c1cc[nH]n1 1584213891 MWLTUWZGGRIOLZ-UHFFFAOYSA-N 425.445 2.016 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@]2(C)CN(C)C[C@@]2(C)C1 1586214991 SMVRSHIDSNIJNR-HSQYWUDLSA-N 432.590 2.084 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cnc(C)s2)CC1 1588946580 FIJDJVIHBHXOMP-UHFFFAOYSA-N 435.557 2.043 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1589110208 QPPDADQHCMOUMT-LJQANCHMSA-N 441.605 2.422 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCC(N2CCCNC2=O)CC1 1589449372 CAVGHEDQQZCWRJ-UHFFFAOYSA-N 427.347 2.107 30 10 IEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594824608 MWMVJGXVMMJGEC-IBGZPJMESA-N 443.573 2.497 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1595570109 XSWJJYPJLHPNOV-RBUKOAKNSA-N 426.565 2.121 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595570158 ZAWPHJNBCMVTDL-AZUAARDMSA-N 438.576 2.047 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1611189181 MQUSRZFGLLGFPF-NRFANRHFSA-N 442.451 2.053 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)cs1 1612402291 FJLGOLYGSPLZPP-GOSISDBHSA-N 440.570 2.291 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)c(CCO)c2=O)n1 1616304719 WRNAQULGBFTJFG-IBGZPJMESA-N 448.527 2.399 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccnn2-c2ccccc2)ccc1F 1616704448 CKJXTZHMNRZPOC-UHFFFAOYSA-N 428.489 2.448 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3nnc(S)n3CC)C2)c1 1616742469 QIBIPRNPCLKQSD-INIZCTEOSA-N 432.571 2.404 30 10 IEEE CN(CCCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1618733351 FCXNWYMWMRQLFK-UHFFFAOYSA-N 442.479 2.301 30 10 IEEE C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1623809905 OFDPCPAZGZPMTD-KSSFIOAISA-N 433.350 2.079 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCc2ccc(C#N)s2)cc1 1626826983 TYLPGSJHQWVBJQ-DNVCBOLYSA-N 433.555 2.183 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 1627607157 MQNYGOZXIXIPPC-UHFFFAOYSA-N 430.436 2.096 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COC[C@H]2O)c1 1636757822 DOGTZTQQSBVABU-RTBURBONSA-N 436.917 2.211 30 10 IEEE CN1CCN(CC2(C)CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1638236634 SYVQITWXYKFBRA-LJQANCHMSA-N 435.613 2.450 30 10 IEEE COc1cc(C(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1OC(F)F 1639963478 YQVDYGZKUFVQIB-INIZCTEOSA-N 433.411 2.090 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 1647774763 PJPFGGJTDALLHO-AEFFLSMTSA-N 448.589 2.047 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 1666426686 DAISBTNBLPKQKB-UHFFFAOYSA-N 435.452 2.057 30 10 IEEE COc1cc(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)ccc1C#N 1686389319 ZSWYYEBYDGCDDT-XMMPIXPASA-N 434.496 2.280 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1689930255 NQSOKSRJHQQSPP-QUCCMNQESA-N 439.564 2.106 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(Br)n1 1689961445 XSXFQMUEFSFXLF-UHFFFAOYSA-N 429.278 2.281 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689993388 CBKBYNXVGPIQOR-HXUWFJFHSA-N 427.574 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)cc2c1 1690033481 YNIVOMRJBQVFAE-QGZVFWFLSA-N 438.557 2.189 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1690113944 YNPTYQOEUIGYJA-UZUQRXQVSA-N 442.564 2.094 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCS(C)(=O)=O 1690214776 WMOQLTWOWNHEGV-OAQYLSRUSA-N 432.546 2.293 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1690309993 PZHYLVXYBXRUOW-SFHVURJKSA-N 440.548 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1690723861 CDCLWFDUIDKAOK-PKOBYXMFSA-N 448.593 2.368 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690752483 JRXZMBRRFBCELN-VJANTYMQSA-N 438.594 2.306 30 10 IEEE CC(C)(C)c1nccc(CCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)n1 1691051833 UKDXFVNMZGVBLL-KRWDZBQOSA-N 433.520 2.184 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@H]1CCOC1 1691865313 DEVRFRIPXWSWLF-IBGZPJMESA-N 425.537 2.190 30 10 IEEE CCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695349922 AVDADYYBSMLDJU-UHFFFAOYSA-N 436.545 2.273 30 10 IEEE CCN(CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)C1CC1 1695750697 XNKBXAKFQZHYEA-MRXNPFEDSA-N 448.369 2.259 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCSC2)c1 1705504757 CUDPEQRUTUOLSV-AEFFLSMTSA-N 438.557 2.039 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCCO)c(OC)c1 1705546711 IWOUEQYRPYYZDP-UHFFFAOYSA-N 427.892 2.491 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705701188 DKVCXZNRGRUKLY-XLIONFOSSA-N 427.553 2.255 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1705833359 CXLCSWCWFMNTHA-UHFFFAOYSA-N 440.529 2.163 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1705834620 OVGKSZRXYMNXGH-LBPRGKRZSA-N 431.921 2.382 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1706753319 AGZXAMCAMYEKGK-AWEZNQCLSA-N 427.509 2.042 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H](O)C1 1711245059 NJDGPZFZWNSNGF-FVQBIDKESA-N 449.353 2.326 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722359211 JOTPNVWINKQRSR-SZMVWBNQSA-N 444.557 2.245 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722458383 HVFXSPRDVKPNGR-CVEARBPZSA-N 443.577 2.486 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722482055 DWHHSRXOYRQRSJ-OAHLLOKOSA-N 434.342 2.116 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1722500768 LAJTZLYKXXDLMK-INIZCTEOSA-N 440.614 2.082 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722537129 KXYKSHIFDCOTNL-FQEVSTJZSA-N 437.548 2.358 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722550916 SDOPGIUTKVDASX-UHFFFAOYSA-N 434.928 2.453 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722627678 QDGJMZCNAQAUJM-GOSISDBHSA-N 444.511 2.145 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@H]1C 1722659181 QIPXEXGEGFTBPJ-KSFYIVLOSA-N 431.512 2.288 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCn2cc(Br)cn2)C1 1722711896 IZLPRFONIYSLLI-MRXNPFEDSA-N 447.341 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCS[C@H](C(C)C)C1 1722729005 VQKRYUXWIZXOGU-SJORKVTESA-N 428.624 2.351 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1722869696 RCQVLJHFENFMBF-AEFFLSMTSA-N 430.578 2.085 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1727229619 GKPTVYVAZHJTLY-GWJPWWOOSA-N 445.612 2.436 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1729139791 PBCXLYHERXSLCB-AZUAARDMSA-N 438.532 2.212 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1 1729207832 AXPRTMISNITGOH-OAQYLSRUSA-N 442.545 2.294 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1740543087 IRJOHPCWIRGQLK-QGZVFWFLSA-N 425.533 2.285 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1740550076 HPCVJHLSQVUCDC-NSHGMRRFSA-N 445.589 2.263 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](OC)C2CC2)c1 1740563928 ZXQNSKAUXBCXIS-FQEVSTJZSA-N 433.516 2.160 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740620749 RGFCOMZLROZQET-HKUYNNGSSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740626070 VPXRZOPBTRQKES-LEWJYISDSA-N 442.585 2.117 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC(=O)NC(C)C 1740679451 ZCCXMFWINDDOHM-UHFFFAOYSA-N 440.523 2.094 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740793423 ISXSWGQISLYCJM-LJQANCHMSA-N 433.578 2.260 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740893556 ODLBFSYYLDSMBE-MRXNPFEDSA-N 435.550 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740953583 LECSNEYCSPQWBL-UONOGXRCSA-N 449.353 2.201 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1740964250 MFWIGNHRDGKDOZ-LJQANCHMSA-N 441.463 2.469 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740995244 FQTWRKYKCACAAV-UHFFFAOYSA-N 446.552 2.328 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1741001159 MJSQHTOXRINYNR-KBPBESRZSA-N 432.516 2.221 30 10 IEEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1743036959 UKAOIQJUDDBLHS-HRAATJIYSA-N 431.562 2.239 30 10 IEEE CCCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1745534830 MUKVJPPEOVOARB-IERDGZPVSA-N 427.484 2.293 30 10 IEEE CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1745919589 LDJXJYHPIJCROU-VHEBQXMUSA-N 430.896 2.493 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)[C@H](C)CCC 1748785171 MUSXPYFKEFFMOU-QGZVFWFLSA-N 449.559 2.297 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1748812581 XBSMFPXHHZLSOJ-SFHVURJKSA-N 445.589 2.260 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1748847339 SGHYENLMCOXFLR-CTNGQTDRSA-N 433.512 2.021 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1749034272 YMPGUURQDXUQTM-MOPGFXCFSA-N 425.558 2.391 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1749143175 FAYHCMMJSWDEIS-MRXNPFEDSA-N 449.577 2.384 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749241045 CWPZJLYLPNPGLK-WOJBJXKFSA-N 430.553 2.441 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749277529 FLMQMZKCWQOBSD-AUUYWEPGSA-N 437.953 2.406 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1749348714 WRKXKDURGRQBNX-QVKFZJNVSA-N 431.562 2.212 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1)c1ccccc1 1749383537 ZORWLHHZIBYHGC-UHOSZYNNSA-N 433.578 2.473 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C[C@@H](C)O1 1749547940 PSNLMUYQVSPFQE-YLJYHZDGSA-N 440.548 2.219 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749650122 KLVSJFGYBHZTIP-UHFFFAOYSA-N 440.548 2.111 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1749677003 KNSDFECEFGZCAE-QGZVFWFLSA-N 428.581 2.008 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1749677319 VSZONHFDWCOAQU-HXUWFJFHSA-N 427.549 2.235 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)C1 1749719714 ZVLLGOIRLNFBTG-KNQAVFIVSA-N 447.967 2.358 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCOCC1 1749832443 IAOYINUIHLOVEL-VAMGGRTRSA-N 448.612 2.284 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCn2ccnn2)c1 1750381678 AKMHBTHLQQFWEO-MRXNPFEDSA-N 432.410 2.266 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)(F)C(F)F)n1 1751624315 YHXQFQKGHVXKKN-ZDUSSCGKSA-N 428.390 2.294 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760147591 BHUUMHVCOCXICF-SFHVURJKSA-N 445.589 2.475 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1760165048 HVXXOYQJHCICFK-HSZRJFAPSA-N 425.533 2.138 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCC(C)CC2)nc1 1760201223 LHQDBXUPKBWYPI-UHFFFAOYSA-N 428.544 2.431 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1cccnc1 1760248630 PBMAVRBDGGILMF-UHFFFAOYSA-N 429.484 2.318 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(F)c2)CC1 1760260637 AIAGLVQTLPCHHR-UHFFFAOYSA-N 437.523 2.091 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760277588 PQIDQLDCIFTMCG-JOCHJYFZSA-N 441.557 2.045 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1760290076 VRNWOAPTQAKZPY-VGOFRKELSA-N 433.553 2.473 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1760306538 DYSWLCQFFGTAHH-SNVBAGLBSA-N 428.722 2.161 30 10 IEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1760373593 XCFOEFJRCXUTJA-OAHLLOKOSA-N 444.923 2.186 30 10 IEEE C=C(Cl)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760388391 SGNRVRPXNODLQM-PXNSSMCTSA-N 425.961 2.376 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1760432396 IYOLZCVPINCLSH-INIZCTEOSA-N 435.598 2.455 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1760470322 NHKSQJDLDIMQQL-UHFFFAOYSA-N 430.534 2.048 30 10 IEEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1760474595 ZXEVPDTULDMMGA-QUCCMNQESA-N 430.597 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760522887 FMPQXSYWGKIZIC-UHFFFAOYSA-N 444.499 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(CCC)CC1 1760555946 QXBBGGNPZXVLSD-SFHVURJKSA-N 439.626 2.084 30 10 IEEE CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)O1 1762435974 RERDZBWBUCRDKE-RXVVDRJESA-N 429.546 2.399 30 10 IEEE CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1764256559 WUJIBXAXVGZUOQ-OALUTQOASA-N 425.537 2.190 30 10 IEEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CCCCC1 1769761869 CMTYBROMBMUJPL-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1770804732 RJKSBOGWLQGXQG-OAGGEKHMSA-N 438.504 2.063 30 10 IEEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)ON1C(=O)c2ccccc2C1=O 1772790781 GWIRQPVAPSRGTR-UHFFFAOYSA-N 433.346 2.447 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 1772791000 JHVMJFJVWZAQKI-LJQANCHMSA-N 436.445 2.461 30 10 IEEE Cn1ncc2c1CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772794342 IMXRAOWIAFMMEG-INIZCTEOSA-N 426.429 2.009 30 10 IEEE N#CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 1849953966 MIMRXAOVEWLNFJ-UHFFFAOYSA-N 448.458 2.343 30 10 IEEE Cc1ccc2c(c1)CCCN2C(=O)CN(Cc1cnn(C)c1C)C(=O)c1cnc(C#N)nc1 1853451599 IWAGBFCRRPBKKM-UHFFFAOYSA-N 443.511 2.320 30 10 IEEE Cn1cc(CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C23CCCC3)nn1 1854479174 WZVIXAGZAMCMDF-UHFFFAOYSA-N 426.908 2.332 30 10 IEEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1855163577 URHFQJPWSZKQBW-QZTJIDSGSA-N 430.574 2.396 30 10 IEEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)C2)CC1 1855603826 KFURRQBMQKJARA-ROUUACIJSA-N 430.574 2.314 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)Cc3ccc(Cl)s3)C2)C1 1856389367 QVWWFIZAUJLEOQ-CYBMUJFWSA-N 430.917 2.349 30 10 IEEE C[C@@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(=O)cc1C(=O)O 1857886952 LATCZODWHJSYSL-VXGBXAGGSA-N 445.497 2.003 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(OC)c(OC)c1 1861062314 OVOBAMRWWFOJOD-IBGZPJMESA-N 426.469 2.272 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861175424 GVNPQUKTDVQZEJ-VXKWHMMOSA-N 427.589 2.460 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862676587 MOJVXLIIBMSRDG-SFHVURJKSA-N 427.388 2.448 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862693227 ZVIILPOGRVYGBC-HXUWFJFHSA-N 425.437 2.427 30 10 IEEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870109332 RLZKARHGOAMXIE-QGZVFWFLSA-N 444.451 2.196 30 10 IEEE CC(C)(C)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2cccc(Br)c2)CC1=O 1870149101 GQXFYACEBICFCQ-LLVKDONJSA-N 431.294 2.487 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCC(N)=O)cc1 1874350354 IADSCGXGLWTKKM-FSJBWODESA-N 439.497 2.124 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(n3cncn3)CC2)[C@@H]1c1ccc(C#N)cc1 1892111638 XTSJQCSBVBPTMA-LEWJYISDSA-N 438.557 2.407 30 10 IEEE C[C@@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2060636485 YMFRTGAYCGRYHT-INIZCTEOSA-N 437.390 2.478 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659213 JXQQCCQBUABFAN-GDBMZVCRSA-N 433.314 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141677937 KRNUCLRVOGEWCB-UHFFFAOYSA-N 447.341 2.345 30 10 IEEE N#Cc1cncc(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)c1 2174783619 FABZKQKKIBLIIH-UHFFFAOYSA-N 432.477 2.372 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2180095986 ZCGPJJHQYWXOTD-UZLBHIALSA-N 437.334 2.482 30 10 IEEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2224117899 MNAPIIQVKJNQQF-HNNXBMFYSA-N 436.314 2.134 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224126782 BJEUDGLWMVKBAT-IRXDYDNUSA-N 433.358 2.309 30 10 IEEE CN(CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2243419343 WVJRONQCAQMERQ-UHFFFAOYSA-N 425.360 2.381 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2243435731 VWUOOJMWQKHDIK-RRFJBIMHSA-N 428.360 2.101 30 10 IEEE C=CC1(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2255700283 AILYAXDPFSQMPA-UHFFFAOYSA-N 429.326 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]2C1 2255854684 FPZNXZBTQDGKKN-JLCFBVMHSA-N 431.342 2.443 30 10 IEEE COCC1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2256613006 HSICLZVAVYGEDV-UHFFFAOYSA-N 436.358 2.401 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256894302 HLTDQFIMYVGPIG-BBRMVZONSA-N 437.321 2.472 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2257686045 JLHOTGBPSZFVNV-OAHLLOKOSA-N 435.374 2.280 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2267158602 DAFCUZQFJDDHOV-UHFFFAOYSA-N 448.325 2.275 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267216761 XJIOSNCMXZGGCX-IEBWSBKVSA-N 436.365 2.416 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)c2)OC1(C)C 2267288082 ZWFLKOFQPGOXNG-SFTDATJTSA-N 437.349 2.039 30 10 IEEE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267524595 SBUSBTCDCYNOFJ-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267597880 XRGRLQBGOWVZSO-IAGOWNOFSA-N 443.353 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882438 SJCMVTUPNLVDOA-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268716152 SYHKFENWCPIJDQ-JKSUJKDBSA-N 447.341 2.392 30 10 IEEE COc1ccccc1[C@H]1C(=C(O)c2c(C)nn(C)c2C)C(=O)C(=O)N1CCCN(C)C 2296626444 VELKAUBCTFNVNE-FQEVSTJZSA-N 426.517 2.419 30 10 IEEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2317502102 VUWUPGNBAVMUFU-GDBMZVCRSA-N 433.358 2.479 30 10 IEEE CCOC(=O)Cc1nnc(S)n(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O 2321656264 SQMZOLBJOPMDED-UHFFFAOYSA-N 429.414 2.083 30 10 IEEE CCOC(=O)C1CCN(C(=O)C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)cc2)CC1 2323177811 SZNWLDJPOXUIAG-UHFFFAOYSA-N 444.528 2.318 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc(F)c2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103129851 OUDJQVDXHIZPDA-VZCCSQPZSA-N 430.388 2.165 30 10 IEEE C/C=C/Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)nc(O)n2C 254305733 MXSCJHPJNRHCDG-OVZMFLLRSA-N 433.266 2.326 30 10 IEEE COc1ccc(CN2C(=NC(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254407677 UFZNPJUDDKYVGL-WMLDXEAASA-N 426.560 2.347 30 10 IEEE CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410408890 BQJCYDMEGNHDKV-INIZCTEOSA-N 427.404 2.425 30 10 IEEE CC(C)(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 430880431 XNIMPONLKVRKNH-UHFFFAOYSA-N 428.514 2.277 30 10 IEEE C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 431247744 OMNGYLMAWUCNQR-MRXNPFEDSA-N 435.575 2.142 30 10 IEEE COc1ccc(CCCNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 472113552 VCAPHIBOCOFEAA-UHFFFAOYSA-N 426.521 2.082 30 10 IEEE N#Cc1cscc1C(=O)NC[C@H](O)COc1ccc(I)cc1 476287336 OCHXOHFRHGPVKW-LBPRGKRZSA-N 428.251 2.394 30 10 IEEE N#CC1(NC(=O)Cn2cc(Br)ccc2=O)CCN(Cc2ccccc2)CC1 479295039 ZZYSNKMDRLZKLL-UHFFFAOYSA-N 429.318 2.285 30 10 IEEE CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492938952 WZGALCSJNNFJGA-UYAOXDASSA-N 434.562 2.025 30 10 IEEE N#C[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(Br)cc1 499407525 LSNPERSWOHHBKK-MRXNPFEDSA-N 427.258 2.496 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)CCCO4)CC2)cc1 513971512 KYINGTSKNJAMRB-UHFFFAOYSA-N 426.498 2.422 30 10 IEEE N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1C(F)(F)F 549794807 VNUWVHZKWNHZAK-CZUORRHYSA-N 425.407 2.199 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)ccc1F 591685614 HJSRLAUMVGMEHQ-QGZVFWFLSA-N 426.513 2.409 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 603798782 GFFWTFGBQJTNQW-OAHLLOKOSA-N 441.509 2.115 30 10 IEEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C)c1=O 679754861 DNEPDCVBFFSTTK-UHFFFAOYSA-N 447.354 2.480 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CCC2)c1 730461440 OTONZUKZZOMGPR-GOSISDBHSA-N 431.562 2.197 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(=O)[nH]c21 757575817 IHCJKUBNTAKXOQ-QVOWHETESA-N 440.504 2.194 30 10 IEEE CCC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)C1 761847588 BAGPRLYCUYLYJD-DLBZAZTESA-N 432.521 2.437 30 10 IEEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 765228814 OMZXIALMKSOSJM-UHFFFAOYSA-N 437.271 2.383 30 10 IEEE COc1cc(C#N)ccc1COC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 766875493 OZRZDPVLIWJHBC-UHFFFAOYSA-N 432.502 2.051 30 10 IEEE O=S1(=O)N/C(=N/CCCc2nc(-c3ccc(OC(F)F)cn3)no2)c2ccccc21 771585606 CLTQONXXXWMSEX-UHFFFAOYSA-N 435.412 2.404 30 10 IEEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(OC(F)(F)F)c1 784140728 NKHVPGXYFJPVOC-OAHLLOKOSA-N 442.463 2.218 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)n1 789237380 KMNQTICHXHIKSP-OAQYLSRUSA-N 437.544 2.405 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 794587193 HQTVQQUAHGQWPR-AWEZNQCLSA-N 442.443 2.269 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 794609246 VPSJLLKXPLWRHA-UHFFFAOYSA-N 433.537 2.334 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC[C@@H]2C)c1 795176324 HZCAPWDHAYONON-ZOCIIQOWSA-N 445.589 2.443 30 10 IEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccc(OC)cc3)n2)o1 1084377226 DAFQIOSLIUPSKU-UHFFFAOYSA-N 430.494 2.003 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccccc1O 1084641312 RSWQZMOWLLODSA-UHFFFAOYSA-N 442.461 2.173 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3ccc(OCC#N)cc3)CS(=O)(=O)[C@H]2C1 1135413858 YKDGLKBPIHMPNJ-OLMNPRSZSA-N 449.529 2.198 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 1135762951 WURLBANEEMAQTG-SFHVURJKSA-N 435.419 2.337 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)o1 1138108196 KARQOLUQXUERHS-UKRRQHHQSA-N 427.461 2.163 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccsc3C#N)CC2)s1 1147255524 OXPJWHZNJBVXAL-UHFFFAOYSA-N 436.584 2.037 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1151284771 ONFGFKIZIMZZES-MRXNPFEDSA-N 435.525 2.432 30 10 IEEE COC(=O)Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]c2ccccc12 1153866475 OKUMGGYJKINMPN-GUYCJALGSA-N 426.473 2.372 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC2(CCOCC2)O1 1157726481 WYVQRFRJLFCETN-KRWDZBQOSA-N 449.573 2.130 30 10 IEEE C=CCc1cc(CNS(=O)(=O)c2cnn(C)c2Br)cc(OC)c1OC 1186107705 WWGHZDZSSPLNJU-UHFFFAOYSA-N 430.324 2.407 30 10 IEEE C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1191927686 CTMSIRAPVKPBQU-UYAOXDASSA-N 425.533 2.487 30 10 IEEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1251337692 KPGDORMQBSLKTC-RBUKOAKNSA-N 431.496 2.492 30 10 IEEE CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1253797797 KTXZQCHCHHEWRU-PRJMDXOYSA-N 427.292 2.207 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3COc4cc(F)ccc4C3)CC2)cc1 1279886127 HFJXUYQCTVOGHQ-IBGZPJMESA-N 443.500 2.218 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CC=CCC1 1286431016 MABGWEURFVGLHL-UHFFFAOYSA-N 444.587 2.177 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1286436899 AIDPBGMYNSNXEX-OFNKIYASSA-N 433.597 2.135 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286785135 BHUIJNMDVNJULD-UHFFFAOYSA-N 428.581 2.467 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2OC)C1 1286809803 VUFBSGYDMOHUKM-QZTJIDSGSA-N 427.505 2.076 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1=O 1287759572 ILEBGUFKOUDKIE-UHFFFAOYSA-N 432.475 2.403 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 1292167921 QXAWEYBOFLMHBQ-INIZCTEOSA-N 435.487 2.406 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1293245706 GNPRTNDDNRCFDQ-JXMROGBWSA-N 427.451 2.121 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)n[nH]2)c1C 1295100712 VSNUZIZQCSQLRW-QGZVFWFLSA-N 433.472 2.079 30 10 IEEE Cn1cc(CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 1296263868 FMOYKLYOHXSZBX-JPYJTQIMSA-N 439.516 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 1300282310 HCBHDPXQWULJGS-IRXDYDNUSA-N 438.557 2.266 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1300372524 UCOBILQKVZEDIU-UHFFFAOYSA-N 435.532 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(C)CN(C)C1=O 1300561411 QEEFJXZPAGGQGW-QFIPXVFZSA-N 427.455 2.488 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Cl)c1 1300578609 NECAXXYRWXRJAX-QGZVFWFLSA-N 446.960 2.353 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(C)(C)O 1300591058 KKGFFGWPARCEHD-UHFFFAOYSA-N 448.615 2.267 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1300689172 RFQLSCXIRJQQOH-HSZRJFAPSA-N 425.533 2.287 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301258289 PBGWWERXTWPCIV-LJQANCHMSA-N 443.523 2.363 30 10 IEEE C=CCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473894 MRRWIAWPVFQYAK-QRVBRYPASA-N 446.596 2.393 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301606292 MJFXVPRTVVYHNL-HXUWFJFHSA-N 429.550 2.007 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1OCCC1(C)C 1301799547 GUYIQCHBEXJVFW-INIZCTEOSA-N 427.509 2.107 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1302204373 GJBNXOLUTGFFFO-IBGZPJMESA-N 449.559 2.323 30 10 IEEE Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)c1 1304332373 FWYCIKUCMFOMHG-OXQOHEQNSA-N 434.541 2.190 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C[S@@](C)=O)cc2)n1 1304485020 HPZWJOUJPMFTHG-FZYZMVIOSA-N 436.541 2.304 30 10 IEEE CC[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CCN1CCOC 1306442363 UNKMWPGNOXWPBM-IBGZPJMESA-N 435.532 2.324 30 10 IEEE C#C[C@@H]1CCCN(S(=O)(=O)c2ccc(I)c(C(=O)OC)c2)C1 1309627925 YDDCKZPAPHCTNV-LLVKDONJSA-N 433.267 2.112 30 10 IEEE C#CCC1(NC(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)CCOCC1 1311063448 AYIIUXKZHCTSFH-UHFFFAOYSA-N 427.320 2.473 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cc1 1312625350 IYLRJVVFPBWKGQ-UGKGYDQZSA-N 433.512 2.246 30 10 IEEE C=CCCC1(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CCCC1 1313004489 SGOJQFFNXSSRKD-OALUTQOASA-N 442.626 2.194 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)CC1 1313433181 PGUZQLPJKMQQMJ-QFIPXVFZSA-N 434.544 2.110 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCCCS(C)(=O)=O 1314740175 PLQRXAGEFLJKIF-UHFFFAOYSA-N 439.545 2.458 30 10 IEEE CO[C@]1(Cn2c(N3CCC(CC#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1315280205 REFFZOMWQKWKQC-VXKWHMMOSA-N 433.553 2.254 30 10 IEEE C#CCCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1358936753 WXQVDHBCEIJILB-JOCHJYFZSA-N 428.512 2.204 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358959963 SXZBGGJAPYYSSV-LSDHHAIUSA-N 440.928 2.210 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1359035680 BBXDADAQZPZEIE-UHFFFAOYSA-N 434.588 2.403 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1359261838 XPCJMLVTNCJKSX-HXOBKFHXSA-N 443.523 2.272 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1359333296 TUABRRGUQWWYHC-UHFFFAOYSA-N 433.578 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](CC)C1 1359334784 QUELFTCUPHVRKK-GOSISDBHSA-N 434.562 2.382 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1359478133 NGMODDLPKIDAFG-VQIMIIECSA-N 426.521 2.241 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncccc2N(C)C)CCOC1 1360339774 XIGNUVRBWMXSKM-FCHUYYIVSA-N 443.527 2.270 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)c1cccs1 1360680489 CNJZTDPZCRVEQP-UGSOOPFHSA-N 440.570 2.370 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1436664696 QGTSFAHYFBZZEH-IRXDYDNUSA-N 439.553 2.496 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1456062706 MMPOBSZYMKMIQA-KRWDZBQOSA-N 428.514 2.229 30 10 IEEE CC#CC[C@@H](CO)NS(=O)(=O)c1c(Br)cc(F)cc1Br 1464016500 QNSGUWUXAOKQRT-VIFPVBQESA-N 429.105 2.403 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1467273557 GHQXPXCFFRSMIZ-CTWPCTMYSA-N 443.548 2.311 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)ccc1OC 1470613776 RIBUERVDMDAOBB-OALUTQOASA-N 446.548 2.449 30 10 IEEE COc1cc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)ccc1C#N 1478592865 MADYWJKPHPUETI-PBHICJAKSA-N 431.436 2.218 30 10 IEEE CCOCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1503167739 RNDPYWWKJKTDSY-AVRDEDQJSA-N 433.553 2.254 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503304060 CFBRJUAYWBPUGC-QJWGWKRISA-N 442.589 2.092 30 10 IEEE CN(C[C@H]1CCCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1503547026 GVYUOKOPIHVGRP-OAHLLOKOSA-N 432.550 2.166 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1507572914 AMAAKNNMRNBBGL-SFHVURJKSA-N 442.539 2.229 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(CN2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1507626909 QLKIHUKNUNGFLO-JOCHJYFZSA-N 441.601 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccnc(-n2cccn2)c1 1507713423 JNLLWDXXVAXWOR-UHFFFAOYSA-N 448.556 2.349 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=C)Cl)CC1 1507715671 GNKUTVLCFNNLBA-UHFFFAOYSA-N 433.343 2.369 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1 1507734097 GTASAZNFPRRQJW-NRFANRHFSA-N 432.528 2.208 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1507848477 YEZFOHUTZUSSEI-HUUCEWRRSA-N 431.459 2.149 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1507967377 FLQABADQKGZVNP-QGZVFWFLSA-N 446.621 2.347 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21)C1CC1 1507988434 SFCNPVHJGFEJOV-HOTGVXAUSA-N 433.582 2.126 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508690589 SZUYLUCXOXJKCN-HSZRJFAPSA-N 438.532 2.403 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)C1 1510290149 SPNNWGPCJGBGAI-LJQANCHMSA-N 449.968 2.159 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1512539390 JZXOGPFRSODAKN-ITZAQCPESA-N 442.907 2.350 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)N1CCCCC1 1513923613 HPQKHHPQOLYDBK-SFHVURJKSA-N 437.596 2.482 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1526903060 AHKAFXQHYBOFTR-HXUWFJFHSA-N 442.560 2.029 30 10 IEEE C=CCn1cc(C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)OC)nn1 1527829725 SPLODONGTDMVQR-AWEZNQCLSA-N 432.278 2.222 30 10 IEEE Cc1nc(=NC(=O)c2cnn(-c3ccc(Br)cc3)n2)n(-c2ccc(C#N)cc2)[nH]1 1530698971 GWPUDNAMURBQKE-UHFFFAOYSA-N 449.272 2.465 30 10 IEEE C#CCOc1ccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 1533419644 NUNIMDXXZVNWDK-UHFFFAOYSA-N 426.270 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1539039104 YWNVMGVNDHJTKD-YESZJQIVSA-N 432.569 2.375 30 10 IEEE C#CCCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539139647 HDKFFMBNILKALF-QFIPXVFZSA-N 427.553 2.240 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1C 1539415458 DBPTVTXYJMDONN-KRWDZBQOSA-N 436.965 2.276 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1539642804 SLRKZUCLHCJTJB-ZRCGQRJVSA-N 433.597 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540903064 XTYVRMMOGBCDSJ-OALUTQOASA-N 448.593 2.467 30 10 IEEE COCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555495461 VOFUFCUOTADANY-KRWDZBQOSA-N 433.520 2.062 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCCOC(F)F)cc1 1555990234 FYRFEMUNLPBLGL-INIZCTEOSA-N 446.458 2.169 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)c1 1557680646 PIJWYPIURHCQDA-QFIPXVFZSA-N 439.581 2.030 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 1583305089 PLZZTIZATBNLKX-BEFAXECRSA-N 434.002 2.346 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCS(=O)(=O)C[C@H]3c3ccccc3)CC2)o1 1585362812 WINGDOFSBHHMGM-FQEVSTJZSA-N 442.541 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1587662281 MIZWUPFYULFYNW-AUSIDOKSSA-N 447.587 2.213 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1588271636 NKMVUCFBTZUYDC-NTKDMRAZSA-N 437.544 2.443 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCC[C@@H](O)C2)n1 1588724302 WYRQSTHGKXGAMO-SIKLNZKXSA-N 449.559 2.374 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N(CC)CC)CC1 1588930284 RQBJCEIPRNDOLL-QUCCMNQESA-N 430.597 2.216 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594492162 UHGWCGKPLFMZDW-GOSISDBHSA-N 446.596 2.295 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1594566753 JWMOPGDHIYYIOB-UHFFFAOYSA-N 426.525 2.133 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCOCCS(C)(=O)=O 1594929356 JVKAHEHLEPTNDW-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCCCCC2)C1 1595467771 ZDXQEDAMVLJBQW-UHFFFAOYSA-N 446.596 2.428 30 10 IEEE CCN1CCN(C(=O)CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 1611388132 BIYDPOSBNMCXQQ-UHFFFAOYSA-N 431.968 2.098 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(C)(=O)=O 1611756932 BEKGFKVDLQIGEF-IFXJQAMLSA-N 439.488 2.434 30 10 IEEE C#CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)CCOCC1 1616762961 MVWXUBFSNPHQRA-UHFFFAOYSA-N 432.498 2.268 30 10 IEEE COC[C@@]1(C(=O)NCc2cc(F)c(C#N)c(F)c2)CN(C(=O)OC(C)(C)C)CCO1 1617380897 PRPRQGGAGZBSBR-HXUWFJFHSA-N 425.432 2.105 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O 1618022195 QIQKVUAMLAWXRJ-UXHICEINSA-N 444.576 2.257 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1618895051 FEQBIKZLKAASTO-SFHVURJKSA-N 437.548 2.437 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](c4ccccc4)[C@H](CO)C3)C2=O)cc1 1629162717 RIQBGGAXNFIZQA-KSEOMHKRSA-N 446.507 2.388 30 10 IEEE CC1(C)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1634601167 LGZKURIUGBAGHQ-UHFFFAOYSA-N 440.363 2.183 30 10 IEEE N#Cc1cccc(OCc2cccc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@H]43)c2)c1 1638771195 AMUOJBFGERDICP-NHCUHLMSSA-N 426.494 2.165 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1641932709 CVVWVEBWPOAFLY-PGRDOPGGSA-N 425.554 2.500 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)n[nH]2)c1C 1642136209 VUJLTVUXYAJSFC-UHFFFAOYSA-N 436.476 2.342 30 10 IEEE CCOC(=O)c1ccc(NCCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)nc1 1648736372 PRFVWHGHXZKSDB-QGZVFWFLSA-N 425.464 2.324 30 10 IEEE C[C@]1(c2ccc(Cl)s2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1652644269 ROYPAFNESKFEBC-HXUWFJFHSA-N 427.869 2.468 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@](C)(CO)Cn3cnc4ccccc43)ccc2c1=O 1653668884 ZTHYQOHXQBSZSS-QHCPKHFHSA-N 449.536 2.402 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ncc3Br)C2=O)cc1 1654534357 UGDGJMSHUBKHQB-OAHLLOKOSA-N 444.245 2.155 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 1655593446 ASOIHMHUCQMTQU-UHFFFAOYSA-N 425.507 2.171 30 10 IEEE N#Cc1ccc(CNC(=O)CN[C@H](CO)c2ccccc2I)cc1 1656439467 GAJRRIDCUODPSW-QGZVFWFLSA-N 435.265 2.102 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1656601885 XJESZKLELFRPCE-HSZRJFAPSA-N 442.516 2.028 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1c(Br)cc(C)cc1Br)C(=O)OC 1662440996 LZOCIGPRSNNLSG-LLVKDONJSA-N 439.125 2.363 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689980839 YCWWCLUWQQSHPQ-SFHVURJKSA-N 445.589 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1690017794 LXHBFYJFIQTDDA-TZIWHRDSSA-N 433.560 2.076 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1690512159 OKFNKAYOOJRWKW-IBGZPJMESA-N 438.576 2.405 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1690669625 KMMMIFLTAUWECU-UHFFFAOYSA-N 437.592 2.106 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 1690671889 BHWFNFSLRPQOGI-IAGOWNOFSA-N 448.568 2.125 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1691011568 ZVDUTTJZTVPYCO-MAUKXSAKSA-N 433.534 2.208 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)cc1 1693129008 HIWYOGUQEZUFNP-SFHVURJKSA-N 426.521 2.010 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)COC)c2ccccc2c1=O 1695899138 FUYPTJNFRZSUOI-IVZQSRNASA-N 439.495 2.399 30 10 IEEE CCOCc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1696272339 GTTVQJNPNIBBPT-QGZVFWFLSA-N 425.537 2.223 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1697777629 QQXNHLPPNYEGFU-GOSISDBHSA-N 426.496 2.296 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CCO1 1697911680 LMACALQRIBIKLH-MSOLQXFVSA-N 449.458 2.005 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(=O)N1CCOCC1 1705578275 MHIMNYJUUPDISI-UHFFFAOYSA-N 449.555 2.302 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCSCC1 1705602039 GUHXVOXPEOGFFS-UHFFFAOYSA-N 439.585 2.377 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1705641042 OGJKOHGZRVLRDP-UHFFFAOYSA-N 436.589 2.216 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705656243 SREUEFFAOCODOA-GOSISDBHSA-N 438.561 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CNC(C)=O)CC1 1705701827 DFQSSQXLILCITO-QUCCMNQESA-N 425.537 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1705899873 JLYRFRUDMZYLIV-UHFFFAOYSA-N 447.543 2.114 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1705901058 YZVNSWHYEHSWBH-UHFFFAOYSA-N 435.532 2.033 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1710003505 HKYXUNXVPOOYLS-UHFFFAOYSA-N 434.504 2.437 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)cc1OC 1712648575 XKGZQMFSVHYUBL-NSHGMRRFSA-N 427.505 2.096 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1722305836 VOYNGYGSWUSKFT-OSPHWJPCSA-N 449.511 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1722396762 KAEUHXLPLQWOSG-UHFFFAOYSA-N 428.533 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)CC1 1722435676 MPCGTWBAXGZMPO-UHFFFAOYSA-N 430.350 2.378 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N2CCCNC2=O)CC1 1722501808 QBKFVAISSDQXRY-FXAWDEMLSA-N 432.569 2.180 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1)C1CC1 1722650902 NWXKEOOQQOCOLQ-APWZRJJASA-N 441.623 2.052 30 10 IEEE C=CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691321 RTMXSZLFIIXZQD-XHSDSOJGSA-N 439.582 2.248 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1722706349 RQFRZRCGQSCGJZ-UHFFFAOYSA-N 436.516 2.181 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740578534 CBPWDIBKDUYQBC-SFHVURJKSA-N 444.532 2.426 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740624162 CVYSIHKPVQQGMM-PKOBYXMFSA-N 448.589 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CCC(O)CC1 1740637076 PFJKKQGBXOBVFL-UHFFFAOYSA-N 428.540 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740646034 OYUVOHXFPLBQDA-OALUTQOASA-N 431.606 2.243 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740647852 XLFSQIAZZAKACG-LJQANCHMSA-N 445.976 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(C)CN(C)C1=O 1740652608 HAUSPDVDEFWQIF-XMMPIXPASA-N 427.512 2.072 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccco1 1740667754 OZRDEKVSFWRWKG-OAQYLSRUSA-N 442.545 2.198 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740794012 YKVUJJIVWCBBHA-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740842668 HVUQMNMJMRWFLH-HZPDHXFCSA-N 425.599 2.374 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1740923034 BSGFMSFPWRTTIB-MRXNPFEDSA-N 446.602 2.411 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1740965545 AODKZJNJSXMUSU-KRWDZBQOSA-N 435.532 2.349 30 10 IEEE CC[C@@H](C)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCN/C(O)=C1\N=CC=CC1=O 1743554286 CRALCPQUPIPBFJ-HFGXJBEUSA-N 440.552 2.305 30 10 IEEE CN(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1747557976 DQPPNQMVJAGALX-NHCUHLMSSA-N 435.507 2.435 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1748817378 JTXAELXKXYGBNY-AWEZNQCLSA-N 426.464 2.127 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748819075 JZEUNIHOCKWPHM-LBPRGKRZSA-N 448.417 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCCC1=O 1748886550 GVUYJWKOWLJVNG-UHFFFAOYSA-N 439.523 2.369 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCc2ccccc2C1 1748968734 JJHBZMOJLCJLCD-UHFFFAOYSA-N 447.587 2.284 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749455072 SGWNCRZHNJNEBO-LJQANCHMSA-N 426.525 2.066 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCOCC1 1749544160 AYTNXWBTHLXZMX-QGZVFWFLSA-N 432.594 2.391 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H]1CCCCO1 1750027337 JZVUUNWPTVIQDS-HOJAQTOUSA-N 432.569 2.138 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)CCO1 1750387769 ALUSYQXWBFTZSL-KRWDZBQOSA-N 444.561 2.348 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C[C@@H](C)O1 1752321718 QTABIQAXTVQFQH-HZPDHXFCSA-N 429.546 2.255 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1snnc1C 1760170693 MUDMKJZWHRPXIV-UHFFFAOYSA-N 434.529 2.343 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760184182 WMCGQJDZNLLDQU-IBGZPJMESA-N 443.573 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)C[C@@H](C)C1 1760201865 LEXPFUUZESSTGN-RTBURBONSA-N 436.560 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N(C)C)CC1 1760270635 TWXABAPIZVMTGV-INIZCTEOSA-N 444.530 2.063 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCCS(C)(=O)=O 1760324949 NEKNPWWWJAEABB-AZUAARDMSA-N 433.578 2.116 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1760352841 ZFGSSLUFABFZAH-BZSNNMDCSA-N 425.599 2.498 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760359024 BCBOIOLELTZLRP-FPOVZHCZSA-N 439.560 2.379 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1760495681 ULGVJTGPOUUAFJ-HNNXBMFYSA-N 430.559 2.412 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1760495737 VXDGLIVAVNVYCV-IBGZPJMESA-N 435.488 2.122 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)C[C@@H]1C 1760517251 HUQSEPKFMDDXCY-GJZGRUSLSA-N 442.589 2.101 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1760522267 PDVYLRVJTTWUBM-SFHVURJKSA-N 439.564 2.337 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)CC1 1760556673 MEFVPFFOWFZUEL-UHFFFAOYSA-N 449.596 2.387 30 10 IEEE CC(C)c1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)n1 1760688142 BLPNKXUEDHBCKA-STQMWFEESA-N 425.584 2.112 30 10 IEEE Cc1cnn(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1762187935 HKSDUUCRLDUURR-LJQANCHMSA-N 434.504 2.081 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[C@@H]2COCCO2)cc1 1770740319 NQRHGTGQZZRMLL-SJORKVTESA-N 437.422 2.390 30 10 IEEE CSCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1771482385 MJMUZKJVALKDMZ-KRWDZBQOSA-N 444.609 2.165 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1771535622 SZIJLSBDZJLTFS-MSOLQXFVSA-N 426.496 2.005 30 10 IEEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)CN1C(=O)c2ccccc2C1=O 1848918591 GQVXNIJEAHHJFJ-UHFFFAOYSA-N 425.242 2.291 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CO2)nc1 1851325268 DNZHUAWAVHAIJV-ZFWWWQNUSA-N 430.823 2.462 30 10 IEEE N#Cc1ccc([C@H](CC(=O)OCCN2CCOCC2=O)N2Cc3ccccc3C2=O)cc1 1852604170 SUKPGOVUNINFJJ-NRFANRHFSA-N 433.464 2.047 30 10 IEEE O=C(c1cnn2ccc(C(F)(F)F)nc12)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852777940 WMERYSMJBBTSJB-UHFFFAOYSA-N 429.302 2.232 30 10 IEEE C=CCNC(=S)NCCOC(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1853098424 ZYVDFBNVHBEDNB-MRXNPFEDSA-N 442.589 2.018 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 1861341718 RUMJUSDEIYTDEE-LJQANCHMSA-N 441.440 2.172 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@@H]2CO)=C(N)Oc2c1c(CC)nn2C 1865224619 ICCSJCPOWHFLND-DNVCBOLYSA-N 438.528 2.225 30 10 IEEE CN(C)CCN1C(=O)c2cccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2C1=O 1865812803 QSJCFGRMDFRABX-UHFFFAOYSA-N 438.509 2.284 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870983237 OVSVAOSZSZJKCZ-LJQANCHMSA-N 437.500 2.197 30 10 IEEE C#CCOc1cn(Cc2ccccc2F)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871008779 NMVUHQWQWBERAN-UHFFFAOYSA-N 441.484 2.307 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(F)cc1F 1874336846 IVOGUYOFXCABRP-OFOCJOHBSA-N 437.472 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(Oc1cc(Br)ccc1C#N)C(=O)O 1919733527 YADISUVMNQEMMS-GUYCJALGSA-N 427.251 2.446 30 10 IEEE CC#CC[C@@H](COc1ncnc(I)c1N)NC(=O)OC(C)(C)C 1986530614 UNZDZJBBDFJONP-JTQLQIEISA-N 432.262 2.349 30 10 IEEE Cc1cnc(N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224103334 UKYDSRJHMVDEPK-JOCHJYFZSA-N 433.358 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@@H](O)C#Cc1ccccc1Br 2227478824 AIYHKFXPYQTITL-CVEARBPZSA-N 446.363 2.490 30 10 IEEE C=C(Br)CS(=O)(=O)NCc1csc(CNC(=O)OC(C)(C)C)n1 2244437591 APHRDJRZEBZUOH-UHFFFAOYSA-N 426.358 2.496 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](F)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904997 RDXLMCWYIPLPJU-CABCVRRESA-N 448.366 2.441 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254806379 QBWKYMZMJXFKRX-QFIPXVFZSA-N 433.358 2.237 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C 2255633087 WDARJYXDJVRUIQ-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255700070 XFTBQCYPGPOEQT-YOEHRIQHSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255702951 NEESEYPPKNYPKY-OAQYLSRUSA-N 437.321 2.393 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255816632 ITVJQXVEQOGLBI-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826132 LAVBMORFDCDHEQ-OAQYLSRUSA-N 434.346 2.086 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267273795 RGJLVHGPMCYXDZ-MJGOQNOKSA-N 436.365 2.274 30 10 IEEE C[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2267367658 XBMHYWARHSWFDW-CYBMUJFWSA-N 431.385 2.115 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267492759 VLVFMUHVLIWZDF-GOEBONIOSA-N 448.373 2.143 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2267494542 FKXAWJWOIBXRDK-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267547806 NPSVIRYXDAGUPE-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE CCOC[C@](O)(CNC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccc(Br)cc1 2278789292 GXTNFHXXAFSVHY-VQIMIIECSA-N 427.339 2.420 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc(F)c2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296947695 OUDJQVDXHIZPDA-SFHVURJKSA-N 430.388 2.165 30 10 IEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccc(O)c2)cc1 2297745917 FQWWWTGZUZQDJN-HXUWFJFHSA-N 427.453 2.222 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300300129 RLPGXRXTOWJNSD-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CO[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)C[C@@H]1NC(=O)OC(C)(C)C 2315388137 OTLQFOOFEIEJNO-DLBZAZTESA-N 433.358 2.418 30 10 IEEE Cc1nc(N(C)C)sc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc(C)c1=O 2321653500 HXTICQQNOJDAOP-UHFFFAOYSA-N 449.606 2.201 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2337207247 ZBZHUICFQYQKBI-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE Cn1nccc1C#C[C@H](NN)c1ccc(Br)cc1I 2341991891 UDECBIYADVUKBH-ZDUSSCGKSA-N 431.075 2.343 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 29821313 BWGGLKCEXXGCEQ-IFMALSPDSA-N 443.931 2.483 30 10 IEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)c1 102740664 YTJKWDBXXUPMNZ-GOBJLOIFSA-N 442.516 2.417 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 102754429 WIPPJOWVTOZNNO-GOBJLOIFSA-N 426.517 2.419 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)cc1OC 102756217 VRKKDGPQJOTHSR-LCPUNJGISA-N 442.516 2.037 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccc2F)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103116039 KAMGIXZVNZWDHB-LYHOESIGSA-N 430.388 2.165 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)n1 471016707 FACKJPFNHWKSOZ-UHFFFAOYSA-N 448.504 2.412 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](c3c(C)nn(C)c3C)C(F)(F)F)CC2)c1C#N 471924322 MFKRMTWGWZYYBW-INIZCTEOSA-N 438.458 2.086 30 10 IEEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1(C#N)CCN(Cc3ccccc3)CC1)C2=O 479290874 UFYINSHKKCIPIP-KOSHJBKYSA-N 437.544 2.162 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 505666115 WIHUCIYFTYKPFH-FUPPJEDESA-N 446.507 2.398 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(-c2ccc(F)cc2)c1=O 505696111 YSRZKNCWUPHRPZ-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1Cc1ccccc1 519581040 KQUDORDOPRNOKU-UHFFFAOYSA-N 447.560 2.304 30 10 IEEE Cc1ccc2c(n1)OCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 537141853 NZHSOPHVAPLTJG-UHFFFAOYSA-N 426.498 2.088 30 10 IEEE CCSc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3)c2=O)c1 545315795 LOKZJYRZFZAMMU-UHFFFAOYSA-N 439.537 2.399 30 10 IEEE COc1ccc(-c2ccncc2)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C)c1=O 555368811 VGLOANCDBZQXDF-UHFFFAOYSA-N 431.517 2.390 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)cc1 570599612 UPKRAJGMXRXOSP-AWEZNQCLSA-N 442.497 2.156 30 10 IEEE COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(C#N)c(OC)c1 572167453 GDQVQSVKEDVPBF-UHFFFAOYSA-N 446.257 2.371 30 10 IEEE CCOC(=O)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 609413072 BQRUAJIWEYIZED-SFHVURJKSA-N 429.498 2.221 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(-c2ccc(F)cc2)c1=O 671654060 OFHCBWLCHYWULN-UHFFFAOYSA-N 436.512 2.342 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729331385 OIAGLJSZVBIFPQ-LJQANCHMSA-N 446.550 2.058 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CCN1C1CC1 732705991 AUKKNOBNPIEKPR-LJQANCHMSA-N 449.486 2.144 30 10 IEEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 744439969 DYEJXVYOUNXURD-UHFFFAOYSA-N 437.573 2.449 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)c1OC 777104423 YRPYPZHJYTYSJF-KRWDZBQOSA-N 439.516 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 779676750 LBUQMUYMCDTVGX-UHFFFAOYSA-N 426.521 2.352 30 10 IEEE Cc1nnc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)s1 779746424 ZWQDFEJOWAXSKS-OAHLLOKOSA-N 432.575 2.046 30 10 IEEE COc1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(Cl)n1 782779258 BJZGSERSDHMRMX-UHFFFAOYSA-N 429.864 2.455 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)n1 788818949 TVVNLYRCHBDSIC-UHFFFAOYSA-N 425.485 2.316 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C)cc2N2CCOCC2)n1 789075618 VZNHZOMILGLDQE-UHFFFAOYSA-N 425.533 2.020 30 10 IEEE COCCOc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)c1 789967903 MIWNJOPHYSFZJV-SFHVURJKSA-N 442.545 2.332 30 10 IEEE O=C(/C=C/c1cnnn1Cc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 792882281 DUELDOQMAYBDEL-MDZDMXLPSA-N 438.509 2.243 30 10 IEEE O=S(=O)(c1ccc(NN=Cc2cnnn2Cc2ccccc2)nc1)N1CCCCC1 792941628 FCSWIBSSADKUME-UHFFFAOYSA-N 425.518 2.342 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)s1 800161115 QVHGSHQBFBZLCF-UHFFFAOYSA-N 434.543 2.288 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800781452 IKFWRHUXFXOUSQ-QGZVFWFLSA-N 430.516 2.037 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@@H]2CCCO2)C1 802689164 KXZDVKKKLWPYFI-LAUBAEHRSA-N 428.468 2.325 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 812190004 OHACVKBBZQOQPX-GOSISDBHSA-N 448.568 2.221 30 10 IEEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 917097059 UCSVTVLLYDACNE-HNNXBMFYSA-N 435.488 2.156 30 10 IEEE C[C@@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)OCCc2ccccc21 1133091195 JAABBIBURINSQV-RDPSFJRHSA-N 432.480 2.368 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C[C@H](O)c1ccc(C#N)cc1)C2 1176121817 LJASOHWVUOQDTM-GKAYAJSDSA-N 429.517 2.370 30 10 IEEE CCCN(CCC)S(=O)(=O)N1CCN(c2cc(C#N)c(Br)cn2)CC1 1186372239 DQCCOGYTKMHJAW-UHFFFAOYSA-N 430.372 2.205 30 10 IEEE C=CCn1cc(CNC(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)nn1 1233796968 IETJDTWFEWBJSM-INIZCTEOSA-N 433.310 2.140 30 10 IEEE C#C[C@H](NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1)C1CCOCC1 1253349235 ZUWDRKJATNZQGU-FQEVSTJZSA-N 439.516 2.001 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(Br)c(C2CC2)n1 1274451700 BMGJKGBIXARHEO-UHFFFAOYSA-N 435.303 2.399 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC1CC1 1286435713 HEXDQGQOIVZVTA-UHFFFAOYSA-N 443.573 2.432 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286459397 ORGJGULCLHLWNB-KDURUIRLSA-N 428.581 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC2(C)C)CC1 1286488063 KSIFBVXCTWXNLB-DVECYGJZSA-N 443.592 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1286493185 LXVRFOBKCXBLQQ-YADARESESA-N 443.592 2.171 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286499512 IKCNPVNXLUDOPK-GOSISDBHSA-N 449.378 2.119 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1286510582 XPSXMQDWFNPRES-UHFFFAOYSA-N 435.623 2.312 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ncc(F)cn2)CC1 1286562606 AROBUOIKOOPBSM-APWZRJJASA-N 431.516 2.052 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1286618227 XNLUILDGAJKIHT-NHCUHLMSSA-N 425.533 2.227 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1286749897 GZZBXAXVSFWDMM-DLBZAZTESA-N 431.562 2.195 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1286788549 YLWCCXZHJAVIHI-QGZVFWFLSA-N 429.521 2.128 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)C(C)(C)C 1287002761 NMMHIPXLDOEDMX-UHFFFAOYSA-N 446.577 2.324 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1288716120 ATCSJDQAAXIVNM-ZBFHGGJFSA-N 431.541 2.130 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)nn(-c2ccccc2)c1N 1290748258 RUTNNQSLKKVIQD-KRWDZBQOSA-N 432.459 2.325 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1292759835 HCEOUEOJDFTRTN-GOSISDBHSA-N 446.559 2.425 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C 1296092632 GNGNPKXRDVFNHV-VFNWGFHPSA-N 426.477 2.146 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(F)CCC2)CC1 1296288546 FQHFIVMGJJPCNW-UHFFFAOYSA-N 439.539 2.357 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCOCC2CCOCC2)c1 1300332120 XJPWUTRIZMSMOH-UHFFFAOYSA-N 425.533 2.476 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C(C)C)N1CCOCC1 1300439076 ZSQNLOHYPSTMGP-SFHVURJKSA-N 449.397 2.472 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1300675437 RAZXJLSZYNEZRB-SXWKCWPCSA-N 426.565 2.167 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1300743647 WTFSCANMDWJNPG-MRXNPFEDSA-N 446.602 2.300 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301053732 MFIOTGYREBZFNO-GOSISDBHSA-N 438.463 2.357 30 10 IEEE C#C[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CCOCC1 1301132523 KJPBGCUBGSOAKB-LADGPHEKSA-N 445.519 2.045 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301520954 VCPIKABKIFCBEL-LJQANCHMSA-N 444.580 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2c(F)ccc(F)c2C1 1301592725 CZYUIKBMGQGYRM-UHFFFAOYSA-N 426.489 2.256 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1301997364 YSJYGJRTGXXWBB-IAGOWNOFSA-N 445.520 2.289 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1C(=O)N1CCC[C@H](O)C1 1303419972 ABIQQVGESWOMRA-SFHVURJKSA-N 446.511 2.386 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1303939277 BYMCCHAPMFNMPR-WIYYLYMNSA-N 428.562 2.219 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304867058 PVMDOUSUVFHREW-MGPWXQLLSA-N 448.936 2.406 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(C#N)o2)c1 1315338753 ICWIZCULEGFFKY-UHFFFAOYSA-N 438.488 2.436 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1316189476 NIICJYFQJPYWNO-AVRDEDQJSA-N 434.585 2.243 30 10 IEEE C[S@@](=O)C1(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)CCC1 1316366518 NLLRDZPIOFDHAC-WJOKGBTCSA-N 441.605 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)c1 1350925074 YXLXSBNOYAIDBA-WZONZLPQSA-N 429.517 2.479 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358870344 LJIQHSXHRSELEL-ROUUACIJSA-N 443.511 2.436 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1358923858 DJCBDMQNACFAMT-UHFFFAOYSA-N 441.967 2.151 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1nncn1-c1ccccc1 1358997214 JUNPSTPNXANADA-UHFFFAOYSA-N 439.527 2.232 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359034650 YXXPWACCJNGHEO-SFTDATJTSA-N 438.624 2.192 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1359113470 JNTGOXLJJKKBJK-QGZVFWFLSA-N 439.607 2.318 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1359159126 NWLBDZMRFVPTRM-FOIQADDNSA-N 437.541 2.092 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359329479 KIFQPZMOUAJSET-OALUTQOASA-N 446.573 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)CC1 1359330518 UQIDVNCKONBEHA-UHFFFAOYSA-N 435.569 2.463 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC 1359330775 CNDZPDGFZGVFTK-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE CC(C)OCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1360379391 VLKHPKXGXJUYKY-UHFFFAOYSA-N 449.563 2.477 30 10 IEEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1n1cccn1 1436288385 IQGIIOHWUHTYPB-GUDVDZBRSA-N 445.545 2.002 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cc21 1440678971 ALUSOWQZRVQRDP-JOCHJYFZSA-N 432.528 2.326 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(c4ccccc4)C[C@@H](F)C3)CC2)cc1 1441007955 GBPGXTKIDUXMPW-XYWHTSSQSA-N 427.501 2.461 30 10 IEEE C[C@H](CC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1452531230 XPQPGHQJNRFLAG-TYNCELHUSA-N 433.452 2.120 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1460874755 HAOXLNPGZBDZDZ-WMZHIEFXSA-N 428.533 2.405 30 10 IEEE C#CCOc1ccccc1CNC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1465188613 KBHHLWLSIHDXJM-SIUPPRGNSA-N 434.414 2.300 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1469673645 ADQXXGDPLUWHSF-UHFFFAOYSA-N 438.553 2.417 30 10 IEEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1nc(C#N)cs1 1472147265 YXEHPFJZPXNWNT-DZZUKKPASA-N 436.584 2.343 30 10 IEEE C#C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1475860973 YJCRVWMPSQVPIH-HXUWFJFHSA-N 441.553 2.446 30 10 IEEE CCN(CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1)S(C)(=O)=O 1502182006 FQDGGMBWYOIWSO-UHFFFAOYSA-N 441.561 2.453 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)c(OC)c1 1504172463 NDGWZHHPIVMRCD-UHFFFAOYSA-N 428.537 2.280 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1505136072 ACYSYSRBXGXSOO-FUHWJXTLSA-N 432.525 2.037 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1507555731 BABOPUJKFBPDGR-MRXNPFEDSA-N 431.562 2.263 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCOCC1 1507665549 PUXGGBXIQVOBJV-UHFFFAOYSA-N 443.555 2.022 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nnc(CC)s1 1507711203 QANZTRIPNQKWPU-QGZVFWFLSA-N 440.529 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCCOC)C1 1507806880 ORKSPLLGTUGZGW-DXIQSLLYSA-N 447.580 2.014 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1507986578 CYHWMDILSOWBTG-HDICACEKSA-N 434.585 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1508148259 QSRAIJRBHSFHQH-LJQANCHMSA-N 449.552 2.196 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508556809 FVRINYMJTZAVBU-DKYWCIHHSA-N 442.564 2.256 30 10 IEEE CC(C)C(=O)NCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1508807499 YKYLKXITULEEMA-UHFFFAOYSA-N 425.537 2.273 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(Br)c1 1516607910 FJSTVHRYUDUPBF-CQSZACIVSA-N 436.310 2.363 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1516918709 JVFIIJDIVLJFRR-CVOJIUGNSA-N 429.546 2.348 30 10 IEEE Cn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)cn1 1517379445 GCCHOUYGXDJDAL-GFCCVEGCSA-N 434.323 2.280 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1518531761 FEOWEEBAHQXUDW-NHCUHLMSSA-N 444.536 2.499 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)C1 1521056593 OILNJVUEXFTAFI-RDTXWAMCSA-N 433.285 2.428 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 1536694274 CCRDYMRAMKCURH-QGZVFWFLSA-N 434.499 2.388 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1539203542 RUEHGOPOABCJGT-RDJZCZTQSA-N 430.530 2.195 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539204673 BIGXIITWHYRYHC-IBGZPJMESA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1539220545 KQXZZKXJZXLAEE-QUCCMNQESA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1c(CC)nn(C)c1OC 1539251997 VIBPONMNPDMTLY-UHFFFAOYSA-N 432.484 2.099 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1539635205 GHOFLWOGZUWCEW-XERREHJYSA-N 430.578 2.317 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539743049 STVDYRDEPOXCOJ-IBGZPJMESA-N 439.568 2.396 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H](C)C1CCC1 1539803159 FTFCBBIVOJUBFW-GOEBONIOSA-N 431.990 2.378 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OC)C1 1540861992 NWYAGKOKFYKCQB-GOSISDBHSA-N 426.521 2.065 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C(N)=O)c2)C1 1540894800 FYTMARMHMWVZHB-NRFANRHFSA-N 449.559 2.263 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C#N)o1 1554125708 RBNZNHBSRYHVTK-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1554197328 MAOKUVVHRYLUCK-RBUKOAKNSA-N 440.529 2.362 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ncnn1C(C)(C)C 1555738758 VLRRKDFWYWVQCK-WMZOPIPTSA-N 428.541 2.137 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)C1 1557239277 BEVQGSMIESWVCN-HXUWFJFHSA-N 444.532 2.493 30 10 IEEE COc1cc(CNC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 1568704497 NYPKKKBUMKIDTK-PMERELPUSA-N 435.546 2.331 30 10 IEEE Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1585292243 FSBXGCSHVKEASB-UHFFFAOYSA-N 447.282 2.111 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1585640251 LVCBPBFAEKCFEO-ZIAGYGMSSA-N 434.459 2.491 30 10 IEEE C[C@H](CC(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1586123342 FBSYTTSLUWQNKR-RDTXWAMCSA-N 446.960 2.330 30 10 IEEE CSC[C@H](C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1587186189 KSRGCIKCQWXARP-YTSMVRMISA-N 440.569 2.372 30 10 IEEE C#C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CCOCC1 1587815790 ZMAYIGPDVFXIIG-LJQANCHMSA-N 448.566 2.497 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1588053280 CCAFPGQMTFSKBG-HXUWFJFHSA-N 428.558 2.367 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1588054313 NJMDAQOHCJCKDD-IBGZPJMESA-N 443.573 2.404 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 1588199748 YICAGKSIMPQTJZ-UHFFFAOYSA-N 449.617 2.272 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCSC)CC1 1588733747 ZEJDCCCLBXYKSX-UHFFFAOYSA-N 447.008 2.370 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OC)CCC(C)CC2)CC1 1588877302 YTIFBLHWPQTENF-ZRDDSIGQSA-N 445.608 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588885888 ZYXMKRYOJWCKQO-SFHVURJKSA-N 442.608 2.406 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1589096949 IJYLRBFNSXJWQJ-SFHVURJKSA-N 427.603 2.177 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC)[C@@H](C)C1 1589110774 ZJHSSAJLGXXJJU-INIZCTEOSA-N 432.619 2.166 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1589421201 FRDZIWICZKWXLJ-UHFFFAOYSA-N 431.331 2.397 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)CC1 1589558510 LFQYXOLHUYVYEX-IFMALSPDSA-N 426.565 2.014 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCNC(=O)C(C)C 1589558953 NDAIUJYRQSGBIP-PZJWPPBQSA-N 426.565 2.454 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1593721702 CHSNMYNTYFMYAV-SFHVURJKSA-N 433.578 2.364 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593852008 JHBKBOCZCWPOJO-OAQYLSRUSA-N 439.907 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)nnc1C(C)(C)C 1595831794 WLPCWRBZGHLWFH-GBESFXJTSA-N 435.638 2.487 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 1611469138 KTDAOWTUYNRZIE-UHFFFAOYSA-N 426.473 2.347 30 10 IEEE CCOCCOC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1615175060 BUEZCPPTHUBCKU-JOCHJYFZSA-N 432.540 2.052 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1620054207 FYLBADIMXAFLGO-MSOLQXFVSA-N 433.459 2.483 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cc(Br)cc1F 1621679524 ZGANLVGMMNJHNK-JTQLQIEISA-N 430.292 2.091 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2N2CCCC2)cc1 1627261356 MVZXTFWRMOUHJZ-PKTZIBPZSA-N 437.565 2.480 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C)c1cc[nH]n1 1627274112 HWVVQJHIOAQROI-UHFFFAOYSA-N 429.477 2.026 30 10 IEEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1627573418 UFHWKJBAIBHWNN-QAPCUYQASA-N 427.509 2.204 30 10 IEEE C[C@H]1Cn2nc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2CN1C(=O)OC(C)(C)C 1634104861 OPTFKCOEFGEDLI-ZDUSSCGKSA-N 429.477 2.071 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 1634998652 LEDPMHCAIRAOLE-UHFFFAOYSA-N 429.517 2.425 30 10 IEEE C[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1637309013 GYHBNEWWAWNUHD-VQIMIIECSA-N 449.573 2.482 30 10 IEEE CC(C)c1cc([C@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n[nH]1 1637413018 DLKNEHKZZPLGSB-WBVHZDCISA-N 429.546 2.478 30 10 IEEE COc1ccccc1/C=C(/C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1640636517 JEZLUAHIXLGBAB-RGVLZGJSSA-N 428.448 2.453 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(c3nc(C)cc(O)n3)CC2)CCCN1C(=O)OC(C)(C)C 1645591273 GJZVJQGUYJXOPR-JOCHJYFZSA-N 431.537 2.485 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)cc1 1646286265 CGFWBVPBNQFNAL-MRXNPFEDSA-N 437.443 2.442 30 10 IEEE C#CC1(O)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)c3ccccc3)c2)C1 1646381871 JPDQHVURWBYQGU-UHFFFAOYSA-N 449.326 2.094 30 10 IEEE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 1652119132 DUXSQYYHUUTXEG-FCHUYYIVSA-N 445.523 2.044 30 10 IEEE N=C1NC(=O)[C@H](CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)S1 1653039791 VBLTVHPSDZTDGI-JKUQZMGJSA-N 425.301 2.172 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1 1653058731 SFJBSQZRGRUVLX-FUHWJXTLSA-N 449.573 2.221 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1674887537 HZUCUWNKNSTNJN-AWEZNQCLSA-N 448.372 2.438 30 10 IEEE C=CCCSCCNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1682532621 RBWFMGFRXMPXPD-UHFFFAOYSA-N 440.591 2.003 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1686314949 BCGDXXWLILJEHT-ZWOKBUDYSA-N 435.565 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC2(CCOCC2)C1 1687576818 RFBCBEXQGMBNPZ-IEBWSBKVSA-N 447.580 2.174 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689979806 HQSQFKVHRXWYPD-SFGWALBWSA-N 430.574 2.326 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1689986905 ZKRITCRKINWIMK-MRXNPFEDSA-N 442.932 2.064 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1CC1(C(N)=O)CCOCC1 1690085955 LHRRIQSRZCHUEC-UHFFFAOYSA-N 425.533 2.161 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)on1 1690088305 HZLWVKYACNFWHC-OAHLLOKOSA-N 446.508 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@H]2C)CC1 1690137661 GFLRKVDNJBZFLF-WWEVIYMKSA-N 443.592 2.332 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1690247374 AAKVRYGWLDMHFR-RXVVDRJESA-N 446.573 2.094 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1690496952 CUDSVNIHEYSRFZ-UHFFFAOYSA-N 432.491 2.083 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690675109 PLHMSBAGBZGNPD-VQTJNVASSA-N 436.560 2.003 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1692849894 DESYDIZYKBKVNL-HXUWFJFHSA-N 426.431 2.158 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCN(C)C2)cc1 1696136551 COVXEFIDAJXZEP-PMAPCBKXSA-N 442.564 2.479 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCNC(=O)C1CCC1 1698244349 OQEDCESCFNVSQB-PMACEKPBSA-N 444.580 2.439 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc2c1OCO2 1705588980 IJQZIJPYMHCORI-UHFFFAOYSA-N 428.452 2.165 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705592582 MTOZSAVNZCROKF-QGZVFWFLSA-N 445.976 2.343 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1705603988 CFCZPTUWKYLAFZ-CYBMUJFWSA-N 425.555 2.257 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705617533 XXKXNMXAQYLZEZ-UHFFFAOYSA-N 440.495 2.020 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnccc2OC)CC1 1705643165 UVUOHFMDWVAGNK-UHFFFAOYSA-N 448.527 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705648087 RIFGYSYWCNIVDT-PXNSSMCTSA-N 436.560 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705676607 HZDCJZVFJMRKBI-YDIMBITNSA-N 442.608 2.280 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@@H]1C 1705687395 CUTJQGPZXSWETD-YNEHKIRRSA-N 435.413 2.419 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1705717706 PXUYWKWOJMRJMD-SFHVURJKSA-N 437.610 2.375 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705719797 LJZTXDUNFOPOEV-QFIPXVFZSA-N 448.589 2.426 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCC1 1705721137 ZNQVYVKZQFOMHJ-IRXDYDNUSA-N 426.583 2.372 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCNC(=O)CC2)cc1 1705911074 XTDVNRZMUAAVGR-UHFFFAOYSA-N 435.532 2.079 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CCC1 1706750913 BQDDJKIXDFWZNU-MMEWPQADSA-N 434.591 2.309 30 10 IEEE CCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1709690375 PWIABHYEFJZVFG-GRNWLOBZSA-N 438.488 2.163 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCN/C(O)=C1/N=CC=CC1=O 1711968865 PFFJJZPUSYGFJS-YIYXVTKBSA-N 449.515 2.142 30 10 IEEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1712369079 WWIKTVUKZVAWMN-IBGZPJMESA-N 437.548 2.244 30 10 IEEE COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1712424823 QXRVFDQKYALQFO-BDTNDASRSA-N 438.576 2.494 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722459090 CEUOSOZNALNFPG-WMZOPIPTSA-N 445.593 2.113 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1722459900 AAIFGGWMMFXYTR-UHFFFAOYSA-N 439.564 2.435 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1722503403 CROSZKQOEGMYMS-KPFFTGBYSA-N 427.553 2.197 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1722535816 HAEBIRXQNVBLHW-HXUWFJFHSA-N 427.549 2.279 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722537131 KXYKSHIFDCOTNL-HXUWFJFHSA-N 437.548 2.358 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn3ccc(C)cc3n2)CC1 1722574917 TUXDKFIYXXANIL-INIZCTEOSA-N 443.577 2.295 30 10 IEEE C=CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722609256 CQGDQJDXXPLTQI-XLIONFOSSA-N 426.583 2.298 30 10 IEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722620090 CCEPLDAHPNTZTP-UHFFFAOYSA-N 430.528 2.173 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1722629729 XIWYAGNCEUYOEW-UHFFFAOYSA-N 445.593 2.221 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1722734621 FNIIBVSXNJTOMF-OAHLLOKOSA-N 429.546 2.302 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1722738444 JPHVUNIOOWGYCX-HNNXBMFYSA-N 435.623 2.442 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C1 1723478147 YNYCFZMMJGHHGJ-MOPGFXCFSA-N 430.578 2.016 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(C(N)=O)c2)CCOC1 1723665368 UVZOGCNBCGDTIV-AOMKIAJQSA-N 426.521 2.204 30 10 IEEE Cc1nccn1CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1725701632 LDRZYKNMOXSOMW-INIZCTEOSA-N 427.459 2.471 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1730485210 AIONCQNRIUQKQX-APWZRJJASA-N 442.495 2.133 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1731147366 GJKICMBAVFAYCF-PBHICJAKSA-N 439.520 2.042 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740615463 FIKQFHNLQDZPAT-GOSISDBHSA-N 443.573 2.231 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740795302 RTARQLJVGQYJMN-LJQANCHMSA-N 443.523 2.363 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1740890994 ODLYSBDJCZZRKG-MRXNPFEDSA-N 430.940 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1740955252 NZLLQAIXFKENQQ-UHFFFAOYSA-N 429.912 2.279 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(F)(F)F)C1 1740963560 OMWMAIBPKFCOTM-KRWDZBQOSA-N 448.449 2.351 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741397754 PFKKYZWSRNREHQ-UGNPLGLKSA-N 435.532 2.273 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCCN2CCC[C@@H]2CO)n1 1742695926 WZCPCWMSXLVUKC-OAQYLSRUSA-N 440.596 2.117 30 10 IEEE CCOCc1nnc(N2CCC(C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747088527 AGTPVUSBVOUDIJ-WUKNDPDISA-N 442.442 2.120 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748811619 JCRSHFIVAYJPIT-MRXNPFEDSA-N 443.504 2.096 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748812095 PSQOYTCRXBHGKO-MRXNPFEDSA-N 443.479 2.293 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748812115 QHKVPGXEVOQSMQ-SFHVURJKSA-N 437.525 2.024 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748819139 LHVHKWSTQGAOKC-LJQANCHMSA-N 441.582 2.195 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1748927901 XKHVBWZHGRHFLS-KRWDZBQOSA-N 428.537 2.256 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749135537 FUGDXHCFIDCRQD-NHAYFPRASA-N 445.589 2.458 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749230022 SRUXFEHVFGETDP-WOJBJXKFSA-N 430.553 2.175 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749231380 OFYKSXRFQZRXIV-GOSISDBHSA-N 439.626 2.464 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749238680 VVGFYSFKGYOIBS-HNAYVOBHSA-N 440.548 2.453 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1N1CCCC1 1749663441 FLERYMPVCJIFKK-UHFFFAOYSA-N 434.548 2.217 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC4(CC3)CNC(=O)C4)n2CCSCCCO)cc1 1750382447 GLRCTBQTCINFKR-UHFFFAOYSA-N 440.573 2.039 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCCCCC3)n2CC(=O)N2CCOCC2)cc1 1750384543 DIYCJVCSOXWSMY-UHFFFAOYSA-N 438.532 2.358 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1750778862 WUSZUZSTHCJMSR-BVYCBKJFSA-N 435.569 2.235 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1751587973 HGAISIIWRVOQLS-KKSFZXQISA-N 426.546 2.086 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1760165857 IEVBZVNLVQBXAU-HSZRJFAPSA-N 439.516 2.051 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760191414 GZHNIKXAPNUOGA-JOCHJYFZSA-N 449.580 2.328 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCC1 1760253657 SYCDDBAPBSSSJR-KDURUIRLSA-N 446.596 2.231 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1760256921 LVYWBYYUWNTZBC-DPLHUUCSSA-N 443.592 2.055 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1760453579 AMILOWAFKCJEHF-UHFFFAOYSA-N 433.940 2.415 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1761223775 HLKICFPXMSBOPZ-JOCHJYFZSA-N 433.520 2.175 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1762239211 CBEBNUBVQVDPEX-HOIFWPIMSA-N 449.575 2.138 30 10 IEEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CCO1 1762474509 ZHJLRMPBBFDNEE-NRFANRHFSA-N 446.577 2.151 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1767760343 FKJXKPCEVMOTLW-VQIMIIECSA-N 426.521 2.116 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1769963504 XFKGNUHJYICQAS-QFBILLFUSA-N 440.548 2.425 30 10 IEEE N#CC1CCN(C2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)CC1 1849729348 UQJZSQMPINPHSP-UHFFFAOYSA-N 444.601 2.314 30 10 IEEE COc1ccc2c(c1)CC[C@H](C(=O)Nc1nc(N3CCN(C)CC3)c(C#N)cc1C#N)C2 1852699232 JRRMEFMTWAOKDW-SFHVURJKSA-N 430.512 2.329 30 10 IEEE Cc1c(Br)cncc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852769732 VHJRHCOKNNKFQA-UHFFFAOYSA-N 430.306 2.398 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2(C)C)cc1 1854616563 GVJJFMFLMIBZPS-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccc(F)c(F)c4)C(=O)C3)C2)s1 1856379839 GEGKTXXJCYRDLX-HNNXBMFYSA-N 430.480 2.457 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695528 GONHNMZCIUQXRR-CWTRNNRKSA-N 443.452 2.377 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc1 1862746124 ZFRAKZHKMBIUPP-GOSISDBHSA-N 440.408 2.342 30 10 IEEE CCn1cc(OCC(=O)NCCCO)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870234522 CNHHADAJPNULRR-UHFFFAOYSA-N 444.557 2.230 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 1902431345 OKKPVGLPRASZDT-RTBURBONSA-N 436.574 2.395 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 1963882482 TZQXWJLIVRRDIF-CYBMUJFWSA-N 448.305 2.463 30 10 IEEE C#CCN(CC(=O)O)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009955329 FFARAAAOPYAEQY-UHFFFAOYSA-N 429.517 2.092 30 10 IEEE CO[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2010547508 YCDWMZZZKNNJTJ-XXBNENTESA-N 428.533 2.249 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2060625264 IROUENKMVKQTKK-UHFFFAOYSA-N 431.342 2.404 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060825108 FIILWHRNCLWLER-WOJBJXKFSA-N 438.532 2.082 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678298 NJPMWOWGRNYKSX-CVEARBPZSA-N 447.341 2.201 30 10 IEEE CC(C)S(=O)(=O)CCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172779148 YRXBVJUUQMAGPE-UHFFFAOYSA-N 447.204 2.403 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2178285055 HVZWTDCGUVUOKF-UHFFFAOYSA-N 442.144 2.283 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](O)C1 2254798789 DIIGQHXGISEUNX-HUUCEWRRSA-N 437.321 2.302 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@H](C)CCO)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255627191 PGAVLQWNBRAMEO-MRXNPFEDSA-N 427.354 2.441 30 10 IEEE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2255627873 ZNKBWIDECMUEPQ-GOSISDBHSA-N 427.354 2.441 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255815156 JLOFIXDUWRELHD-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2255833085 XAEYZQBHPDDHHH-GUTXKFCHSA-N 449.382 2.488 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)o2)OC1(C)C 2255847108 NSRBKHPDESKWIK-LBPRGKRZSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2256621153 QZLVNSWICMVIOS-UHFFFAOYSA-N 432.326 2.327 30 10 IEEE Cc1nc(NC(=O)C2CC(NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256675537 HLDWHTASGTXITR-UHFFFAOYSA-N 432.330 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2256679004 RWAWFSYCCZWVFN-GVDBMIGSSA-N 434.342 2.407 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009656 NPDSLKGSNSCTPR-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267090329 LACJZVACBSOPGK-GJZGRUSLSA-N 448.373 2.426 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090331 LACJZVACBSOPGK-LSDHHAIUSA-N 448.373 2.426 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267095873 GRQSITOSQYWAFX-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)N2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267126202 KMHIQHYDWGWJOD-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267137948 QWKPDNVRFHFOED-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142485 VCRFPTNUWUOLRN-GOEBONIOSA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)N2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267197007 IXTKEGKGPSKJMY-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267515387 NNAASEGGSSMVBM-JKSUJKDBSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CCC[C@H]12 2267518337 DKCIKZIMSYXKPG-NYHFZMIOSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267586107 FWICIEPUMNCWCV-HZPDHXFCSA-N 443.353 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@](C)(CO)C1 2267840754 GHXWZTOJYRWVPZ-QHCPKHFHSA-N 447.385 2.376 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1csc(C#N)n1 2271174747 IWMXOGGXUDNELK-HNNXBMFYSA-N 437.499 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2271470270 DNZNBRQUCAMORU-HXOBKFHXSA-N 448.369 2.401 30 10 IEEE CC#CCN(CC(=O)O)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2300567454 KJVTVQRREDFEPO-UHFFFAOYSA-N 430.501 2.377 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2314141039 CXEOIURPYNXXES-KGLIPLIRSA-N 432.330 2.265 30 10 IEEE CCCN(CCC)C(=O)COc1ccc(C=Nn2cnnc2SCCO)cc1OC 2321337240 XMKJZBJLASVRAN-UHFFFAOYSA-N 435.550 2.281 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(O)cc1 2330778002 DUISGITVSFEBJH-UHFFFAOYSA-N 449.496 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2331230291 HVSPTBGJDVSSKR-XHSDSOJGSA-N 444.341 2.217 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(Nc1ccc(Br)cc1C#N)C(=O)O 2347982725 CMYUCSOPMHNGGE-GUYCJALGSA-N 426.267 2.480 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)cc2C1=O 18046442 CWPZIWKDXYRRCW-OAQYLSRUSA-N 437.471 2.411 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3O)n2)s1 58997973 UKAAYWWSUQZYAI-REZTVBANSA-N 434.507 2.110 30 10 IEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)c1 102757755 FJDLDDGPYCZDBQ-LCPUNJGISA-N 442.516 2.037 30 10 IEEE CCCCCCCCN1C(=O)/C(=C(\C)NCCCN2CCN(C)CC2)C(=O)NC1=S 104945676 ZBLDRXJSADRBRK-VHEBQXMUSA-N 437.654 2.091 30 10 IEEE COc1ccccc1CN1C(=NC(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 254449977 QDAWNXMJVRJHHS-PKOBYXMFSA-N 446.550 2.371 30 10 IEEE COC[C@H](C)N/C(=N/N)Nc1cc(I)ccc1Br 302386505 MQKIINCSLBXJDQ-ZETCQYMHSA-N 427.084 2.320 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 303386229 MQCAQTVYLSUNCS-KRWDZBQOSA-N 446.467 2.443 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n(C)n1 445247171 HWLHZQCQEJIHAH-ICSRJNTNSA-N 435.532 2.064 30 10 IEEE CCN1CCN(c2ccc(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)cc2F)CC1 461301717 PWNKJJCMSHLQJO-UHFFFAOYSA-N 433.491 2.981 30 10 IEEE CCO[C@@H](C)c1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 463345205 MIPMNYGXVBTFRW-AWEZNQCLSA-N 434.543 2.259 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H](CO)Cc3ccc(F)c(F)c3)C2=O)cc1 479777594 WIGATSSLBJHASF-DYESRHJHSA-N 442.466 2.482 30 10 IEEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 508909216 YGHNVQRLQDCBBD-CQSZACIVSA-N 425.459 2.492 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 508954783 YGVCPLCWHASJJY-LJQANCHMSA-N 433.940 2.406 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508956689 SGWBKPYEOMMXCK-OAQYLSRUSA-N 436.560 2.275 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)ccc1F 511346362 UDUGNEJWGSGBLE-HXUWFJFHSA-N 428.533 2.278 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 537746014 BDUKIHMUOHYNBF-INIZCTEOSA-N 432.502 2.270 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1ccccc1 549646443 OFYAEVALWPGSDB-HKUYNNGSSA-N 433.578 2.427 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1 551384005 YDGYZQYGFKYNIY-UHFFFAOYSA-N 427.530 2.452 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)C1 554224284 MGDPUWWNOCFNRM-HXUWFJFHSA-N 426.542 2.479 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3COCCO3)n2Cc2ccccc2)CC1 555180889 ULNRUNAYYMANIB-HXUWFJFHSA-N 431.500 2.008 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 558982804 FIDSRCDONVXOJT-QGZVFWFLSA-N 436.520 2.008 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 568698432 LHWKMQHGVMXPIX-IEBWSBKVSA-N 432.546 2.170 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1C#N 574663025 YCNZXABKMVQSID-UHFFFAOYSA-N 430.940 3.001 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1cccc(F)c1)C1CC1 579054249 JPQPKIWHRHAWQF-LJQANCHMSA-N 449.552 2.148 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 605692251 GXDOZSMUPXSHBG-RCDVIYQNSA-N 434.916 2.471 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](N2CCNC2=O)C1 669811798 XVZLOHQEWDJJAC-AWEZNQCLSA-N 434.342 2.226 30 10 IEEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 726178629 OBALFYBUROIDSN-UHFFFAOYSA-N 440.565 2.463 30 10 IEEE C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732152783 ARPBDLPTDSNTHF-IJCFDHGGSA-N 426.517 2.196 30 10 IEEE CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 732494737 LALDGXHIJMYHNW-UNMCSNQZSA-N 444.491 2.372 30 10 IEEE CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 732706672 MIGIGNATBRPOLN-INIZCTEOSA-N 445.951 2.396 30 10 IEEE COC(=O)[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C#N)cc1 740212745 TXFPPHLHQMLHJK-FQEVSTJZSA-N 430.482 2.253 30 10 IEEE CCc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[nH]c(C)c1C(N)=O 747808203 RUYHCXRDTFRFQO-LFVJCYFKSA-N 431.518 2.050 30 10 IEEE COc1cc(C=NNCC(N)=O)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 758892381 KJGRCFWRUKNRHC-UHFFFAOYSA-N 432.285 2.179 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 769679647 MPHVPMRKGNCLER-UHFFFAOYSA-N 431.492 2.403 30 10 IEEE C#CCN(C(=O)NCc1ccc(OCCC)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 774243277 YLLSGJMLYYQMAZ-OAHLLOKOSA-N 430.473 2.409 30 10 IEEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 780205576 MOEZYQYNJJQZSJ-SACZZPDOSA-N 425.485 2.318 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)n1 788533275 BSQJJTORTQWSOQ-CALCHBBNSA-N 446.577 2.263 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)n1 788818936 SWEFLPDGCQSMOW-OAHLLOKOSA-N 435.450 2.414 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)n1 791013044 PQHJWBPIURVWPN-UHFFFAOYSA-N 439.541 2.323 30 10 IEEE Cc1oc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c(C#N)c1C 796421950 DWYCSOOBZOYEAQ-BEFAXECRSA-N 441.488 2.372 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 800773074 AOQFVEISMWZZOZ-VGSWGCGISA-N 427.505 2.275 30 10 IEEE C#C[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)c1ccc(F)cc1 812750613 BKGOXLVVVKXYSF-OAQYLSRUSA-N 429.517 2.077 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCN1c1ccc(C#N)cc1)CCO2 817541069 CYOGHGYYQTZPSJ-LJQANCHMSA-N 426.517 2.375 30 10 IEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cc1OC 1084179203 NKIHDSQGYVOIIC-UHFFFAOYSA-N 448.534 2.033 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)c1 1084409259 LPFGZGURSDAMIT-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(Br)cc1C#N 1127138436 NMITVBWGMKSUEU-ZDUSSCGKSA-N 425.290 2.262 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1136097667 PYYZVRZPHAIRIG-MRXNPFEDSA-N 444.598 2.332 30 10 IEEE CN(C)CCOc1ccc(CCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1139811315 JPSACBSXLBODRJ-QHCPKHFHSA-N 434.540 2.349 30 10 IEEE CC(C)(Cc1ccc(O)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1141412100 YVOKFEIZEPMPPC-UHFFFAOYSA-N 427.526 2.366 30 10 IEEE C=CCNc1ncc(C(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)s1 1156985937 APVLRKLIVVOTKI-CYBMUJFWSA-N 436.534 2.223 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C 1162510742 OGVFKYZXBBVUMD-MPGHIAIKSA-N 435.546 2.194 30 10 IEEE CCN1C[C@@H](CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1165356923 LIFRVTPJPHXBSE-UZLBHIALSA-N 426.517 2.377 30 10 IEEE C#CC1(O)CN(C(=O)N[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)C1 1256172718 SFHXGXZSBZWPLX-SBUREZEXSA-N 427.501 2.279 30 10 IEEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1nccs1 1265711041 KFNWCCXCQFRRLR-AWEZNQCLSA-N 434.499 2.118 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1286303094 PIQCZZKISIPAIU-CYBMUJFWSA-N 447.442 2.237 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1286321724 AFIXIBZPAAFQBD-HXUWFJFHSA-N 445.589 2.359 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286386670 FSJXPUZYLXKNFJ-AEFFLSMTSA-N 431.562 2.028 30 10 IEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1286393629 FOLNFCKODJVGDM-IBGZPJMESA-N 428.558 2.456 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286408900 GJWKKPJOCCAHQJ-RTBURBONSA-N 431.606 2.144 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(F)c1)N(C)C 1286459897 WDMDJTSTAZCZJC-HXUWFJFHSA-N 425.512 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)c2ccccc2)CC1 1286489749 AQGKHCONBLHEKA-RXVVDRJESA-N 448.571 2.389 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1286523532 YCRYKAWAVVKVIK-LAUBAEHRSA-N 428.562 2.070 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286613112 QTSRADLAZGNERN-UGKGYDQZSA-N 430.553 2.117 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1286627209 ATDPIKRCOXYXMY-NVXWUHKLSA-N 428.924 2.471 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCSC2(CCOCC2)C1 1286714775 WGXJRABECLSMDL-UHFFFAOYSA-N 435.594 2.096 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286714915 XYRPMKOYQFQWNG-GOSISDBHSA-N 427.505 2.399 30 10 IEEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)s1 1290680045 QHROFKYZMALSDL-UHFFFAOYSA-N 428.566 2.323 30 10 IEEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CC2)n1 1290901501 BFICGBXTGDGXCB-IRXDYDNUSA-N 449.563 2.342 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1291229842 PNJBNBHBXHNJLU-UGKMNXKKSA-N 439.545 2.197 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1 1296129859 CBAWHXSTJVXSEY-PZJWPPBQSA-N 429.613 2.328 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1300302534 BBMMFJAZKNZNPT-KRWDZBQOSA-N 447.543 2.053 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300416836 KKDBPJLGMFTCGJ-UHFFFAOYSA-N 440.617 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCC(F)(F)F 1300674770 FNZYRKSGHSIXDT-UHFFFAOYSA-N 448.449 2.046 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2oncc2C1 1300770327 SRISNWMOYILYDE-UHFFFAOYSA-N 428.543 2.187 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301508601 NPQQAPQQADCYHC-UHFFFAOYSA-N 443.596 2.041 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(CC)s2)C1 1301535606 MNZSYHDEAHHCGR-AWEZNQCLSA-N 440.533 2.169 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301546686 BUNAXDOVCXODLY-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301618686 VGIHZGJZWCYJJT-NQIIRXRSSA-N 432.594 2.443 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NC2CCCCC2)CCOC1 1301953944 VQGKTNXNNZRXNO-VGOFRKELSA-N 432.569 2.363 30 10 IEEE C#CCN(CC(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)C(=O)OC(C)(C)C 1302854073 NJOZZZTTZPNYGO-GFCCVEGCSA-N 426.457 2.200 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1302989987 XMRQJFIDXFWLTI-MRXNPFEDSA-N 440.458 2.451 30 10 IEEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N(O)CCCCc3ccccc3)ccc21 1306895912 ATHMNFWIURAUPQ-UHFFFAOYSA-N 425.489 2.231 30 10 IEEE CCOC(=O)[C@]1(F)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC12CCC2 1307924001 FOPXBLROKVLQIY-HTAPYJJXSA-N 448.564 2.214 30 10 IEEE Cc1ccc(N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)Cc2cnn(C)c2)cc1 1308069795 GGRIUBCANRQNFY-UHFFFAOYSA-N 433.516 2.252 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1314933504 CSHKVJRMHBELFD-GOSISDBHSA-N 449.559 2.084 30 10 IEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)CCOC1 1315273921 YEFANEGLNBIYBS-HSZRJFAPSA-N 441.532 2.458 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC2(C1)OCCO2 1316101042 BXOPDGDGEAAFIG-IBGZPJMESA-N 443.552 2.049 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 1318039969 GDMIXZWVFUQPNC-BJCXPLBRSA-N 427.548 2.180 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCCO2)C1 1321324558 JQSZNODFSNHENM-WOJBJXKFSA-N 439.564 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1358885020 BENRRDUFPYSXSP-AWEZNQCLSA-N 447.465 2.144 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358964744 GOAVNFCHHVHEBP-GOSISDBHSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCN(CC)CC1 1358992957 AZLNEBUOSGCHJF-YADHBBJMSA-N 426.609 2.256 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2CCOC2)CC1 1359030962 LLUOLWBNYIUDEH-HNNXBMFYSA-N 433.354 2.218 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2Br)CC1 1359035989 KAABZDCCXVFVIT-KRWDZBQOSA-N 430.350 2.348 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCOCC1 1359073243 IMIKECBFFFFQCL-FDDCHVKYSA-N 425.581 2.100 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1359108073 BGOPZSCBKKXNMW-UHFFFAOYSA-N 441.504 2.132 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1359245326 KPAKKKCFDWYFHZ-BETUJISGSA-N 446.474 2.350 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1359477851 HLBYGTWOMRUNFC-WBVHZDCISA-N 445.568 2.472 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1361097491 CCATZXDFEZJHME-MAUKXSAKSA-N 430.578 2.199 30 10 IEEE CN1CCC(OCC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CC1 1443660366 BSCZPIKZTHWNEO-IBGZPJMESA-N 435.366 2.269 30 10 IEEE Cc1ccc(C(=O)NCC[C@H]2CSc3ccccc3O2)cc1S(=O)(=O)NCC#N 1452165145 UUXRVZUZRUOUMK-INIZCTEOSA-N 431.539 2.470 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C1 1464990649 OGEMKWQFVXZZJT-SFHVURJKSA-N 434.562 2.089 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CN(c4ccc(F)cc4)C3=O)CC2=O)cc1Cl 1466795358 ZNYXGLRQBOPGLV-FZKQIMNGSA-N 426.835 2.235 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@]3(C)C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1468578629 JFYFMMYNRFLYJN-VFNWGFHPSA-N 449.577 2.434 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 1471522219 UQWFQAZAGVCLMG-UHFFFAOYSA-N 432.476 2.482 30 10 IEEE CCOC(=O)c1ccc(N2CC(NC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)C2)nc1 1478422178 HCUDRIGEXHWVAA-HXUWFJFHSA-N 435.484 2.102 30 10 IEEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1 1504823617 FURHRRFEAPILIZ-UHFFFAOYSA-N 446.577 2.362 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCN(CC)CC1 1507611807 MPOXBHFKKKYAFF-LJQANCHMSA-N 438.576 2.059 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCCO1 1507680759 MPGZELWLTKNRIO-OAQYLSRUSA-N 431.562 2.224 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1507739864 VRDZBPYZKLXKEY-HMXCVIKNSA-N 443.592 2.343 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1507784209 HJJUXAAZVQVERG-CZUORRHYSA-N 433.372 2.094 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1508033881 QGASZXMAYTYDCE-GOSISDBHSA-N 444.561 2.213 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1508160404 UGKOEJSVTWEQHZ-GJZGRUSLSA-N 434.591 2.491 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1510291771 ZRICXCJYZXQIAW-UHFFFAOYSA-N 442.545 2.008 30 10 IEEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1 1511031205 GVBGGVPRFMUKRB-INIZCTEOSA-N 436.607 2.366 30 10 IEEE CO[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1517855613 UHIGVNZGXKEPFJ-OALUTQOASA-N 429.594 2.481 30 10 IEEE COCCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1518945209 WJAKZWTUIKRJPC-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1519296183 OIVMELRFLRNIEB-VIZSFHNOSA-N 448.612 2.489 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)C1(F)F 1520761324 LTYBYYMTALRNDD-IYBDPMFKSA-N 444.486 2.403 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OCC 1531936281 CFABWRZPEGUWHB-CZUORRHYSA-N 445.969 2.250 30 10 IEEE CC(C)(C)n1ncc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1I 1535122653 YZKSNRSQYNFQMV-GFCCVEGCSA-N 427.290 2.055 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCOCC1 1539393012 ZCPFBFLOOKGYRS-IBGZPJMESA-N 428.508 2.493 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(c2ccccc2F)C1 1539409097 OCCCOGVZYIHHFO-GOSISDBHSA-N 437.523 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC2(C)C)CC1 1539489388 MRMVFSZSZUPUED-OTWHNJEPSA-N 429.565 2.014 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CN(CC(C)C)CCO1 1539539003 NVALNBHGZNHQLX-ZRCGQRJVSA-N 433.597 2.351 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1539540923 WVJINLDLGMXUDW-FGZHOGPDSA-N 444.557 2.146 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1539800056 VOKURQGMLFVPAE-LBPRGKRZSA-N 429.930 2.018 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2c(C)nc3ccccc32)CC1 1539829040 SPMDFWQNVDOUGC-INIZCTEOSA-N 443.577 2.403 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1540872931 GJARYZKSGYNGDY-UHFFFAOYSA-N 449.559 2.134 30 10 IEEE CC(C)N(C)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1541608862 LYZPREGMCOTTND-KSZLIROESA-N 447.584 2.118 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)C(=O)OC(C)(C)C 1554289636 HSEZCMHEWKOHFM-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE Cn1ccc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)n1 1554341317 CGFVDHONJRZKKO-UHFFFAOYSA-N 433.564 2.436 30 10 IEEE C[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1CCNC(=O)OC(C)(C)C 1557353335 VNCZTIGSCXRULB-KZLHXAFESA-N 434.537 2.445 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CS1(=O)=O 1557386669 BXKJCOGLYQLALT-HIFRSBDPSA-N 432.502 2.105 30 10 IEEE COc1ccc(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1558205570 ZYJFSYGSSGRUSP-UHFFFAOYSA-N 445.541 2.359 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C#N)c2cccc(OC)c2OC)s1 1565644646 ZMNJSRGAMKKLQE-HNNXBMFYSA-N 435.527 2.153 30 10 IEEE COC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCC1 1584480459 DXLBLTRWVPTPEZ-HXUWFJFHSA-N 447.557 2.197 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)CCC)c1 1587689974 VOEYVOZPWSTDBG-QHCPKHFHSA-N 435.532 2.286 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C 1587904482 JEBWDHMPXJPDCG-LJAQVGFWSA-N 435.981 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)cc1 1588138717 HNSLLGZFHIPYGU-GOSISDBHSA-N 440.569 2.239 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC(F)(F)F)CC1 1588930034 LOHCQROTJMUTIF-MRXNPFEDSA-N 427.471 2.480 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1593764002 UEAILZYLDSJXMP-UHFFFAOYSA-N 443.596 2.427 30 10 IEEE C=CCCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1594774616 LTAPEHRKMRALNC-XLIONFOSSA-N 426.583 2.300 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1c(C)noc1C 1595297708 VXOGVHVBDXTPRS-UHFFFAOYSA-N 428.493 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1595755491 XLBSYLNWJMFUNT-QFIPXVFZSA-N 447.605 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1595799083 XBSMTBGZBCALCL-KRWDZBQOSA-N 438.594 2.168 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1614027776 DGPQRWZTSGRNCF-YTTGMZPUSA-N 449.584 2.361 30 10 IEEE CC1(N2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1624029266 XORBMOIAERHFGW-QGZVFWFLSA-N 430.936 2.278 30 10 IEEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1626447519 ADSZUQXEFCAPKQ-UHFFFAOYSA-N 427.526 2.171 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1cnn(CCC#N)c1C)Oc1ccc(Br)cc1 1636265336 WMVHKIZEFSHXGL-MRXNPFEDSA-N 435.278 2.218 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1636699454 MHPWLHDBDKNHAO-IJEWVQPXSA-N 430.954 2.195 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)C2)nc1 1638906443 SLEQNWIQSIJWHJ-MYGHRHJXSA-N 440.525 2.325 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 1639770388 KQCMCESVDYZVAT-OAHLLOKOSA-N 428.514 2.172 30 10 IEEE CN(CC(=O)Nc1ccccc1-n1ncc(C#N)c1N)C(=O)c1ccc(Br)o1 1640347336 HZVBNDBPSFSEIE-UHFFFAOYSA-N 443.261 2.392 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c1 1640768474 AJNDNDFIZYHZSU-OAQYLSRUSA-N 426.379 2.061 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)cc1 1641385649 KKPUNBGJRJBNTO-UHFFFAOYSA-N 435.918 2.361 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)NCCc3cccs3)CC2)c1 1642133752 XJCDAJRWUDAUBS-UHFFFAOYSA-N 438.553 2.448 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C 1643535640 RXVYESQOSVBBGK-HNNXBMFYSA-N 426.510 2.027 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)cc1 1645250215 LLFUYTAUMMOSOK-QGZVFWFLSA-N 426.416 2.080 30 10 IEEE C=C[C@H](CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1)c1ccccc1 1646090957 LJXXWHWORWBTEZ-HXUWFJFHSA-N 427.570 2.469 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2cccc(F)c2[nH]1 1650913844 LJCXGBZZPGPNNA-INIZCTEOSA-N 443.504 2.472 30 10 IEEE C=CCN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@H](C)COC 1654210899 AFQIUMMWZOQHNE-GOSISDBHSA-N 435.590 2.273 30 10 IEEE CN(c1ccc(N2CCOCC2)nc1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1661319927 CRHPLEJOBCXDDR-UHFFFAOYSA-N 437.319 2.377 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 1665578520 ANGSHODPVCVRAW-DLBZAZTESA-N 449.577 2.367 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)sc(C)c1Br 1666604302 QOMFDMZYZPBBCD-LLVKDONJSA-N 428.395 2.491 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C3CCOCC3)C3(CO)CCC3)C2=O)cc1 1671577555 WIMBQXKBBKVCTB-LEWJYISDSA-N 440.544 2.311 30 10 IEEE C=CCC1(O)CCN(C(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1676429016 LEQHOLFTMNHTKK-INIZCTEOSA-N 431.537 2.387 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)CC1 1684564438 YKEGLVTXKOFKMD-OWYHZJEWSA-N 432.565 2.334 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689991052 VCICQUSZHZCTST-OKZBNKHCSA-N 438.594 2.208 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCSC1 1690035750 IRVIVTCFRWOLAM-QFIPXVFZSA-N 426.542 2.293 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccccc2)CC1 1690072399 HATKHMJZFVIMNB-UHFFFAOYSA-N 430.560 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@H]1CCOc2ccccc21 1690105957 GCIDFOBRYVNLBA-IBGZPJMESA-N 437.544 2.443 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1690113941 YNPTYQOEUIGYJA-GAJHUEQPSA-N 442.564 2.094 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690167596 LYNWRKGNBXHYHI-GOSISDBHSA-N 438.557 2.093 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1690170532 MEPDFNMTZPVKQN-XMSQKQJNSA-N 425.558 2.002 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690308712 XLWZROXAKAOVER-SFHVURJKSA-N 448.593 2.041 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccco2)C1 1690685221 YNAZPAHBQMZAQR-AOMKIAJQSA-N 438.488 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690720244 CPGODDPJMUCSTK-GOSISDBHSA-N 431.562 2.194 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1691009410 YMISKPWBJWKWAC-KTVWJZFRSA-N 433.516 2.186 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCN(C(C)C)CC1 1705487151 STJMGPDWSCGAKT-SFHVURJKSA-N 439.560 2.410 30 10 IEEE C#CCCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705522251 ZCMNVSDTFNTOAK-WMZHIEFXSA-N 444.580 2.163 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705532630 PNMVNQSJTGZASY-QZTJIDSGSA-N 444.580 2.473 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705569633 FJKFGLNDQMWYQO-CQSZACIVSA-N 442.463 2.256 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(CN2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1705569873 HUHGLKAHVJJWAN-OAQYLSRUSA-N 441.601 2.111 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1705587899 NRCDMINWNRKJEK-IZAXUBKRSA-N 437.548 2.098 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1705601898 COEZVQCXXDZAMG-MOPGFXCFSA-N 445.564 2.474 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCc1ccco1 1705625253 DGVIYXXPLLOZMF-UHFFFAOYSA-N 447.474 2.367 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1705681280 QUNZVNOJYLKEKO-AWEZNQCLSA-N 442.358 2.017 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)C)CC1 1705693135 BYEXRPLSKAIYLD-VQTJNVASSA-N 430.597 2.416 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1706748720 KJAOPAWJFIRSPL-OAHLLOKOSA-N 441.536 2.393 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1706865131 WLFPCOJDEQGKAU-NSHDSACASA-N 444.439 2.100 30 10 IEEE Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1707865226 HSEWCXVVWHUKKX-FMQUCBEESA-N 428.468 2.157 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CCOC1 1710427429 BUYYJGAHEHJQLJ-QHCPKHFHSA-N 440.548 2.210 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1722348739 NPWJXACWLZFCRH-UHFFFAOYSA-N 427.505 2.317 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)(F)F 1722352288 NUSIZGIAXAJUMF-AWEZNQCLSA-N 428.436 2.197 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cccn2)cc1 1722387603 MXFJGWQVZJDQKN-UNMCSNQZSA-N 430.512 2.309 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCC[C@@H]2C)CC1 1722430077 WHSDFEMLUOGFTJ-NRFANRHFSA-N 449.603 2.387 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cccc1N1CCCC1 1722446245 BZQMADJRPYNZFC-IBGZPJMESA-N 440.523 2.103 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1nccs1 1722459456 KLEPQKMQBXGQOT-HUUCEWRRSA-N 439.632 2.243 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(Br)c1 1722691806 AEIQPFXPNYBQCI-UHFFFAOYSA-N 449.353 2.117 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)(COC)CC1 1722694894 LTBYGGGQPYCPER-UHFFFAOYSA-N 427.505 2.229 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)c1 1724183127 WXOYKBJQMPUFLS-JOCHJYFZSA-N 430.528 2.494 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1727084897 GPAHCAUWFANOLI-SBUREZEXSA-N 439.564 2.161 30 10 IEEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)Oc1cccc(F)c1 1727258064 DSFFSXKWGYAJBC-PKOBYXMFSA-N 425.468 2.404 30 10 IEEE CN(C)c1cccnc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1729331299 GGRAMTGCERUXNL-SFHVURJKSA-N 430.516 2.247 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1 1730909642 JHRTXILHEOWOBI-TZIWHRDSSA-N 441.532 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1740553775 UMNLWQMGOKIDFL-GDBMZVCRSA-N 438.500 2.482 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740619887 MCJRCLXIULXUET-SFYKDHMMSA-N 442.585 2.431 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1nccnc1C 1740644363 CSQORJPZSWKJIE-KDURUIRLSA-N 449.559 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[S@@](=O)CC)CC1 1740689900 DXKOFSQMUXHZBA-ZQHDKMAOSA-N 433.553 2.081 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCOc3ccccc32)CC1 1740690914 QCNHAMLEJQIKFQ-PMACEKPBSA-N 439.560 2.324 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCn2ccnn2)CC1 1740691734 MNEYZWAVTHCCBO-UHFFFAOYSA-N 440.939 2.044 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2cccs2)CC1 1740702822 YGWLENYYQDGHBQ-MRXNPFEDSA-N 442.589 2.249 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740758382 XBMBCKZKAGUWED-AZUAARDMSA-N 433.516 2.452 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1740764229 BWDCQQRFCSHBFI-IEWDOMPSSA-N 431.581 2.490 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1740767670 YIFUGQVKVDWMRJ-MRXNPFEDSA-N 449.577 2.384 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1740969377 YCTIUKKDDMHDNU-DLBZAZTESA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1740992311 OTPIJKOLXFASNI-WOJBJXKFSA-N 446.573 2.351 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1c(C)noc1C 1741119628 VGYPHENBHRTSJO-UHFFFAOYSA-N 437.504 2.496 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@](C)=O)CCC2)CCOC1 1741724656 SOGQBUQXROAPAB-CQYKZQTASA-N 439.557 2.062 30 10 IEEE CN(CCCNC(=O)C1CCC1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1747939950 TXZDHEROVOYHOA-KRWDZBQOSA-N 426.521 2.428 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1 1748751787 MGNKZHCVEFXEHJ-RBUKOAKNSA-N 428.558 2.499 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1748815507 QYIIFYFPDNSGFR-SJORKVTESA-N 449.602 2.154 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCc2ccccc2C1 1748829752 IYJQBRJMEIYBJX-AREMUKBSSA-N 447.583 2.451 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1748902745 SEYGCJQUKFCNJT-SFHVURJKSA-N 442.564 2.339 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1749103946 IBTOFCFEVVOKFG-HNNXBMFYSA-N 447.399 2.078 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1(C)C 1749220012 ADQPWKPUCYYHBO-CVDCTZTESA-N 441.532 2.395 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)Cc1ccccc1 1749500423 ZRYOLQPCEJDTOZ-UHFFFAOYSA-N 428.562 2.377 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1749537208 BUSWJWOOWXRDDG-LJQANCHMSA-N 426.546 2.155 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749663611 KMMQKURKWZTXEI-UHFFFAOYSA-N 439.545 2.404 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1750485039 HWLXMRYAQPVFLX-IRXDYDNUSA-N 438.488 2.236 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCc2ccn(C)n2)c1 1760126267 SIYRVCMFYDGHRZ-UHFFFAOYSA-N 428.500 2.306 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760138209 TVGUJJVNUBGCRR-OPYAIIAOSA-N 435.594 2.183 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760186575 DROYSJRZKQZZLA-ICSRJNTNSA-N 433.622 2.294 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760187140 UECZJEYIXMYSDG-IBGZPJMESA-N 435.638 2.225 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1COc2ccccc21 1760244042 KMYXQWMOURBLAL-FDDCHVKYSA-N 426.517 2.192 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1760295340 ADRKLNICHMQNOY-HSZRJFAPSA-N 437.544 2.152 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1760345136 KNFLBOKGWDGIRF-GOSISDBHSA-N 426.521 2.414 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760358427 RQOIJORFPVRHMZ-UHFFFAOYSA-N 433.578 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)C[C@H]1C 1760517252 HUQSEPKFMDDXCY-HUUCEWRRSA-N 442.589 2.101 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCS1 1763179389 VBHVHGQFJQCEKM-KKSFZXQISA-N 429.546 2.476 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1766823174 OPYBFHNHRYWYDS-VERZRFAGSA-N 444.536 2.051 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1767866156 POTVLOJJMPXPNU-ZWKOTPCHSA-N 436.516 2.121 30 10 IEEE CN(C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1768417286 AYYHCEVUDLZVRW-HXUWFJFHSA-N 433.516 2.337 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1769142741 SPBWLBBYMHWNOW-ZDUSSCGKSA-N 428.443 2.478 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)C[C@@H]1C 1769899203 AUOPINZCTIZPNU-PGRDOPGGSA-N 437.592 2.314 30 10 IEEE COCCOCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1771269030 MKJHIWOZMNTZIO-OAQYLSRUSA-N 441.467 2.089 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)C1 1771350581 VETVPTPQGOYNGY-OAHLLOKOSA-N 447.467 2.283 30 10 IEEE CSCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771483602 UZSUUXYPBLKLOE-QGZVFWFLSA-N 449.588 2.394 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCOCC(F)F)CCO1 1771539467 YVDRTTITGYSKDI-AWEZNQCLSA-N 425.411 2.397 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)(n2cccn2)CC1 1772787199 ZINKFYDTFQGKSS-UHFFFAOYSA-N 440.456 2.364 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789564 BHXZHQIUYNTZKK-SFHVURJKSA-N 446.481 2.143 30 10 IEEE CN1C(=O)CC[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1ccccc1 1852086421 LZTBJDLISHDZKQ-XUZZJYLKSA-N 447.539 2.228 30 10 IEEE N#Cc1cnn2cc(CCCOC(=O)CCCN3CCOCC3)c(C(F)(F)F)nc12 1852275326 QNJFOHFPSIDORR-UHFFFAOYSA-N 425.411 2.208 30 10 IEEE C[C@H](Cc1nc(-c2ccccc2)no1)N(C(=O)CC#N)[C@H]1CCc2nn(C)c(=O)cc2C1 1853505893 NHDKEKNKJUQHAP-QAPCUYQASA-N 432.484 2.061 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)cc1F 1854525095 ZXHMMSFRCBTBSB-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862704096 QQRNBMPXMHNGRO-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871260525 MONYSLQJZJJMNP-UHFFFAOYSA-N 442.560 2.370 30 10 IEEE CC(=O)NCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873238717 GDPGXTRISKBVCD-UHFFFAOYSA-N 428.370 2.304 30 10 IEEE CN(C)CC#CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1891244863 PQTRAILBQBMOHQ-UHFFFAOYSA-N 437.924 2.252 30 10 IEEE N#Cc1ncccc1OC1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 1891837872 ABVZGKPCSSNXTP-UHFFFAOYSA-N 430.230 2.446 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CO1 1908261942 BCQWGBLOBOEUAW-RLLQIKCJSA-N 428.533 2.247 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987169004 LBWHQDTYJIBZBZ-CABCVRRESA-N 425.526 2.039 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060640625 WWTRJZIYOWNNTH-MRXNPFEDSA-N 436.314 2.396 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2067678978 NDFZJBDFOWEKKI-ZNFSNMQZSA-N 436.358 2.467 30 10 IEEE C=CCn1ncc(N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(Br)c1=O 2106022063 NEILQDUKZQTXDO-AAEUAGOBSA-N 429.315 2.143 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C)B1OC(C)(C)C(C)(C)O1 2247904425 OGPFRPLYFPEQIV-CHWSQXEVSA-N 440.293 2.035 30 10 IEEE CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](CNC(=O)OC(C)(C)C)C1 2254800758 OODCOPOIGYYNDP-KRWDZBQOSA-N 432.374 2.026 30 10 IEEE COCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2255598774 REWWBBBLRXNNTH-KRWDZBQOSA-N 436.358 2.496 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255808019 CMTFBLGEAFTJGK-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](C)N1C(=O)OC(C)(C)C 2255826275 NIXFEODUCLBKFA-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255879750 UOVDGMLDZNLNGZ-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256626911 PKUMEWZNERRKRM-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267098416 ZDFVJNVKLRABBT-GJZGRUSLSA-N 446.357 2.275 30 10 IEEE Cn1cc(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177360 MULZLTLDGXLEJS-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267187545 ZNDMPFZVWNADGR-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267491660 GWZRKETZLULEMH-HOTGVXAUSA-N 448.373 2.237 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267525779 JHERBLVVRDKIAZ-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267551433 MDTYEADPXLNDKM-MRXNPFEDSA-N 448.373 2.445 30 10 IEEE COCC[C@H](CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267593715 NIZMFNLGBQPNPB-OAHLLOKOSA-N 449.357 2.040 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)cc2F)OC1(C)C 2270598717 LFNWDIZYGYEWRF-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2270884882 NYARJQJPCCYMRA-PMPSAXMXSA-N 444.341 2.360 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CSCCS1 2282829187 AVWGYJBFXWHGNY-LBPRGKRZSA-N 435.467 2.483 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)n1C 2315589369 NNEUSOHLJISVCQ-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2315647087 XVMGUYAMSZRMGJ-QDMKHBRRSA-N 449.382 2.380 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)CO2 2319949860 KUIQUSDQEJLACC-JXORXQGFSA-N 434.342 2.057 30 10 IEEE COc1cc2[nH]c(C(=O)O)c(C=NN=c3ccc(-n4nc(C)cc4C)n[nH]3)c2cc1OC 2328794637 GPZHSBLMLOITRC-UHFFFAOYSA-N 435.444 2.344 30 10 IEEE Cn1ncc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2352396056 JZKNWQRGJYDLTQ-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE C=CCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nnc1-c1cccnc1 10811244 NWPXMKUPBGUYDO-GOSISDBHSA-N 430.578 2.091 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nnc1-c1cccnc1 10811249 NWPXMKUPBGUYDO-SFHVURJKSA-N 430.578 2.091 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(Cl)cc3)n[nH]2)cn1 59886602 DOCHNJUDUHUUHI-UFWORHAWSA-N 434.913 2.478 30 10 IEEE N#CC1(NC(=O)[C@@H](CS(=O)(=O)CC2CC2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 213993360 NOTSCKFHTQJLMM-CVEARBPZSA-N 447.454 2.384 30 10 IEEE C=CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(-c2ccccc2)cc1 248261182 WELUVDLQDCNRRN-PDFGSZSQSA-N 448.475 2.473 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 254692806 YWXNOQPKWCDLBH-VQIMIIECSA-N 444.534 2.255 30 10 IEEE N#C[C@@]1(N)CCC[C@@H](n2cnc(I)c2I)C1 404004733 MSQPMZZHOVTODB-GMSGAONNSA-N 442.042 2.428 30 10 IEEE CC[C@@H]1NC(=O)N(c2cccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2)C1=O 436492586 NAGZZDMCASSIJD-SFHVURJKSA-N 433.472 2.142 30 10 IEEE C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)NC(=O)NCC(F)(F)F 468755993 ADOCLVSJJIISPH-LBPRGKRZSA-N 425.411 2.458 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C[C@]2(CCOC2)O1 485094512 UBEUDMPTKOBUKI-NRFANRHFSA-N 426.498 2.417 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1C#N 489661315 YLNOPRRVKUOJAI-QGZVFWFLSA-N 427.490 2.351 30 10 IEEE CCOC(=O)C1(C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CCOCC1 506465338 IBMTUCHBVWBOCY-UHFFFAOYSA-N 439.516 2.043 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508818355 SMUYJAYAIUGHNZ-NRFANRHFSA-N 428.924 2.154 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCCO2)c1=O 514492615 PHKLFEHSRQJFEH-INIZCTEOSA-N 443.594 2.021 30 10 IEEE Cc1nn(CCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c(C)c1[N+](=O)[O-] 522584118 KWXHBDBYFDBYHL-MRXNPFEDSA-N 428.474 2.210 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2)c1=O 542729077 WYRTXLRXEALTDE-UHFFFAOYSA-N 448.504 2.143 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 568793725 HTCSKZBBDQPKOP-UHFFFAOYSA-N 449.495 2.212 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 571583520 LBBSWQHKNIBWDR-QFBILLFUSA-N 437.562 2.182 30 10 IEEE Cc1cc(N2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)n2ncnc2n1 608811553 CJIOUWPQYZWZMC-UHFFFAOYSA-N 443.467 2.439 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 611492406 CVDFBMCVNSPXIQ-UHFFFAOYSA-N 429.473 2.485 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)C1 726174916 GFNNJGOOSDILJJ-INIZCTEOSA-N 426.473 2.124 30 10 IEEE CC1CCN(c2nn(CN3CCN(C4CC4)[C@@H](C#N)C3)c(=S)n2C[C@H]2CCCO2)CC1 732673180 XERSACUABQRBGH-VQTJNVASSA-N 445.637 2.459 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)c2cccc(-n3cncn3)c2)c(=O)n(-c2ccccc2)n1C 734706291 CBKBCOSWGLPDPD-LJQANCHMSA-N 441.451 2.026 30 10 IEEE C[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744367962 IALVKCSJIKUTFC-LUHGQXDZSA-N 435.505 2.454 30 10 IEEE CCOC(=O)c1cnn(-c2cccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)c1C 746123146 ICCUQPQCYYQHGQ-MRCUWXFGSA-N 437.456 2.212 30 10 IEEE CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)[C@H](C)C1 760756970 OVZQQPDCXQDCRV-LTRAUPRXSA-N 449.577 2.364 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1 764930711 PHFTXQJKVOCHMQ-NCELDCMTSA-N 443.529 2.043 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NO[C@@H]2CCN(C3CCOCC3)C2=O)cc1 769843063 VSBAXHXFPRBMOB-GOSISDBHSA-N 432.521 2.128 30 10 IEEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 781648083 CWSVIQAKTCEKEF-CYBMUJFWSA-N 426.336 2.055 30 10 IEEE N#Cc1ccc(OCc2ccc(C(=O)NS(=O)(=O)c3cnn(CC4CC4)c3)o2)cc1 781719565 QGVXJIIIXGMSMN-UHFFFAOYSA-N 426.454 2.455 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCCOc1cc(F)cc(Br)c1 782275379 HJYJXMTXFMUTLV-MSUUIHNZSA-N 427.226 2.427 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 783011385 ODGFXAXTTNNOER-QGZVFWFLSA-N 425.938 2.398 30 10 IEEE COCCN(CCC#N)S(=O)(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 800009795 SLUVIKJSEYALSW-UHFFFAOYSA-N 432.587 2.301 30 10 IEEE C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H]1CNC(=O)OC(C)(C)C 804158738 AARCJIVWHOLQGD-KSSFIOAISA-N 432.496 2.465 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)cc1C#N 804936293 NJAGFAJZPRNUFS-UHFFFAOYSA-N 425.485 2.294 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 806443749 BRIVEVPNVVHXDD-KRWDZBQOSA-N 448.495 2.192 30 10 IEEE C#C[C@H](N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1)C(C)(C)C 807935184 CGDSBDKZBWZUAA-CRDWIWAJSA-N 443.617 2.040 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 811453286 IRTQTXGIKOOXNG-LSDHHAIUSA-N 440.422 2.231 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccccc3Br)cc2C1=O 916810780 GOZDLWUNOUIPRL-UHFFFAOYSA-N 449.282 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@@H](C#N)C1 1126949007 YBDVAQNWXTZXFS-HNNXBMFYSA-N 432.431 2.466 30 10 IEEE CC(C)[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCOCC1 1141263462 ULMGEMGUCKCFNA-LJQANCHMSA-N 435.366 2.230 30 10 IEEE CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)s1 1141403947 GIUFMDIXNJBDHL-CQSZACIVSA-N 444.579 2.250 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 1170943232 QHDQREIHWQVFIZ-NQIIRXRSSA-N 425.554 2.096 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c(=O)n(-c2ccccc2)n1C 1171050220 CMAYESNZXVCUER-FUHWJXTLSA-N 441.557 2.307 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1214257886 MWKCTAMDPMWEJI-UHFFFAOYSA-N 434.562 2.089 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NCCCN1CCC[C@H]1C(N)=O 1219083849 AVNGAAACPXETCZ-HNNXBMFYSA-N 425.327 2.475 30 10 IEEE CNC(=O)[C@H](CNC(=O)NCC#C[C@H]1CCCCO1)Cc1ccc(C(F)(F)F)cc1 1230616189 KZKBTGHDBNXKAZ-FUHWJXTLSA-N 425.451 2.482 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)CC1 1248401844 CGOWZBLIXFVGID-UAPYVXQJSA-N 447.557 2.071 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286322176 DEMSOXIFLXQJOC-ROUUACIJSA-N 444.557 2.260 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286338769 DYIYLCWVNVVTHH-SFHVURJKSA-N 443.573 2.115 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1286399180 AOFAWDZAAFACTF-ROUUACIJSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286425076 CBJTVNPAYGHBEW-HSZRJFAPSA-N 442.567 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1286438927 LKPSGIKEDNIELX-GOSISDBHSA-N 438.557 2.046 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(=O)Nc2c(C)cccc2C)CC1 1286482289 PCLBOSWYSWYBID-UHFFFAOYSA-N 443.555 2.275 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1286483898 COFDSANEKHPVRT-WMZHIEFXSA-N 441.601 2.174 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(CC)C2)CC1 1286484099 HPBSBJHIZBWKNA-IBGZPJMESA-N 426.540 2.093 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nccn2C(F)F)CC1 1286494493 URNSBSAVPZAOLG-INIZCTEOSA-N 447.490 2.125 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286513377 UPFXALKFCACYKS-GVDBMIGSSA-N 440.635 2.186 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](COCCOC)C1)c1ccccc1 1286617191 JZWQMSQCQYIRQR-UYAOXDASSA-N 425.533 2.432 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCS(C)(=O)=O)CC1 1286655034 JJVRSXKTUTWSAI-UHFFFAOYSA-N 439.969 2.457 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286688466 XJFUXNQKGGQRSX-YJBOKZPZSA-N 446.577 2.430 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(C)C)CC1 1286791133 NOJZQGNPCMXRDO-UHFFFAOYSA-N 432.519 2.416 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(C)(=O)=O)C1 1288974038 ARTNFAWZQUGSPB-NRFANRHFSA-N 442.589 2.427 30 10 IEEE Cc1nc(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2c(C)c(C)sc2n1 1289201311 KMLVKKJBGHOPQA-UGSOOPFHSA-N 436.584 2.105 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1300299176 MADNYFKZZMFAQJ-INIZCTEOSA-N 435.532 2.172 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1300308151 MXIIIYNEXCVVKV-GBESFXJTSA-N 445.589 2.458 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1300336274 BLOYPFJEIBEQIX-UHFFFAOYSA-N 431.562 2.432 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H](C(F)F)N1CCOCC1 1300448669 BMNHLBVYDVPETA-KRWDZBQOSA-N 447.486 2.142 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300487030 DSKJJKMDJUXKGZ-AWEZNQCLSA-N 445.492 2.220 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@H]1NC(=O)CC1(C)C 1300547464 MSLKDOJQEIWUKG-HXUWFJFHSA-N 435.528 2.243 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCc2ccccc2C1 1300664693 SKDDTWANUPHTJV-LJQANCHMSA-N 433.560 2.211 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)c2ccccc2)CC1 1300708108 NNWZCAMGMJRHOK-UHFFFAOYSA-N 432.576 2.031 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(Cl)c2)CC1 1300710417 AEGSEDWSGFCMPR-ICSRJNTNSA-N 429.952 2.459 30 10 IEEE C#C[C@@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C1CCOCC1 1301132377 JJSSJYXDVGNKGC-KBXCAEBGSA-N 449.345 2.461 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301137885 XWEDNEHNDYYWPF-LJQANCHMSA-N 432.613 2.375 30 10 IEEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301259300 GYZDMXRGDNXUJF-GOSISDBHSA-N 430.940 2.329 30 10 IEEE COCCN(C)c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1301694732 RTJJLINEBDKHNV-HTXNQAPBSA-N 430.896 2.208 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1302438317 FPJDEPJBUVEQKR-UHFFFAOYSA-N 427.530 2.177 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCOC[C@@H](C4CCC4)C3)n2CCOCCCO)c1 1302989047 HDDOKGUPQBGHAO-NRFANRHFSA-N 425.533 2.469 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3cnn(CC(C)C)c3C)CC2)c1C#N 1304731603 REKKVAGPMFMPMV-UHFFFAOYSA-N 436.568 2.036 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccs1)N(C)C 1305789205 CZZNZMUAWKWDTD-IRXDYDNUSA-N 445.593 2.290 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(CC(=O)NC2(C#N)CCC2)Cc2ccccc2)C1 1307826516 GVNSELCOQYIWNC-RTBURBONSA-N 428.533 2.031 30 10 IEEE CCn1c(=O)c(C(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 1307858582 ANJBEIAFQODLQJ-KRWDZBQOSA-N 445.523 2.408 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccsc2)n1CC(=O)N1CCOCC1 1314729551 POKTYMKXEKCMIB-UHFFFAOYSA-N 436.541 2.297 30 10 IEEE COc1ccccc1-c1nnc(N(C)CCCS(C)(=O)=O)n1Cc1ccc(C#N)o1 1315595311 YIJPZZHLEDESIW-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE COc1ccccc1SCc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(C#N)o1 1315666339 PUYQBOLBXWDECO-UHFFFAOYSA-N 438.513 2.370 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1316270411 WRVWUDRJGWTBNL-DEPCRRQNSA-N 448.612 2.486 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1358964599 BZSFCNPUCMJKQZ-SFHVURJKSA-N 441.582 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1358994600 RRBVLLTUHBLTLI-QFIPXVFZSA-N 449.555 2.364 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCC(O)CC2)CC1 1359030692 BZWHQZBHVBASCZ-UHFFFAOYSA-N 442.995 2.201 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1359066610 HMSIJOGWTHSVDL-MGPUTAFESA-N 429.502 2.280 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1359197531 SGRVGNFBRBPYHB-IBGZPJMESA-N 447.605 2.418 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359202993 GKPHSJKJQMKIBJ-CEWLAPEOSA-N 430.597 2.127 30 10 IEEE C=CCCOCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1359229383 HUAHPCMMOSOBNJ-SFHVURJKSA-N 448.486 2.417 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccn2C(F)F)C1 1359313433 MDLSBSXSHNFNDL-YWZLYKJASA-N 438.479 2.351 30 10 IEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1359464716 CKOFAWZCTGBKGQ-UHFFFAOYSA-N 448.512 2.452 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(NC(N)=O)cc2)CCOC1 1359466671 FSDGPRBCAFNOHZ-ZHRRBRCNSA-N 441.536 2.453 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)C2)s1 1439728525 WVJDAMIAEPHPBH-MRXNPFEDSA-N 438.571 2.322 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCC12CCOCC2 1454877853 JYSPWSIGAKAZPS-WMZOPIPTSA-N 433.574 2.463 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 1471937519 LCNPUNWFWISLAF-UHFFFAOYSA-N 425.554 2.301 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1473353247 WKWAQCGMRBGNBZ-UHFFFAOYSA-N 426.542 2.190 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(CCOC)C(=O)C3)n2Cc2ccc(C#N)o2)cc1 1497967114 FZJDYJYMWCGKDS-UHFFFAOYSA-N 434.500 2.315 30 10 IEEE COCc1nocc1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1504661039 XCMRJORNYHRNRY-ZDUSSCGKSA-N 434.460 2.372 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1507604532 KPNXGXJJNSUEBM-YADARESESA-N 437.544 2.441 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1507690385 RYXNVZAJCFMZKH-QGZVFWFLSA-N 431.491 2.336 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccc(F)cc2)n1 1507716335 JUXVXBSFWLPJKI-UHFFFAOYSA-N 446.490 2.405 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CC(C)(C)C2)CC1 1507728433 YJTKZJRQSHQLGG-UHFFFAOYSA-N 426.590 2.461 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1507733224 QBTGCMUDNRAHNJ-GOSISDBHSA-N 432.569 2.142 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507768452 QRDVHUWSPOWIQR-ABSDTBQOSA-N 441.498 2.427 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1507844523 LBMSRJWZBKTSKI-GOSISDBHSA-N 438.594 2.170 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1507966757 CAQHGFPQRNPZPH-GOSISDBHSA-N 432.569 2.149 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507968988 YNSKSQCTRXDUGI-SFTDATJTSA-N 444.580 2.484 30 10 IEEE C=CCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508066235 LFVKVTBNZGGHML-QFIPXVFZSA-N 444.536 2.200 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CCc2cccs2)CC1 1508130424 IAWDZKBVPYFCIM-UHFFFAOYSA-N 437.635 2.429 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1508415175 AMGGXZRXOJQHFD-OAHLLOKOSA-N 436.520 2.352 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)n1 1525227429 ZUIDSAZAUOPEDS-UHFFFAOYSA-N 431.496 2.381 30 10 IEEE C=CCOCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1530086191 IMIHZDUXTJXJIH-UXHICEINSA-N 443.500 2.022 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(CCc4ccc(F)cc4)C3)C2=O)cc1 1538383029 AYFRCENPMKXOES-KNQAVFIVSA-N 448.498 2.400 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCN(CC)CC1 1539031902 RUASMOKYSPUHKO-IBGZPJMESA-N 428.556 2.482 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nnc1C(C)(C)C 1539139811 ILOMMWWOPBPXDP-UHFFFAOYSA-N 439.589 2.381 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539220230 HQSPCOUCGYWKAW-LWYYNNOASA-N 448.589 2.128 30 10 IEEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@](C)(C#N)CN(C)C)c1 1539432611 OERORONUNSYLFZ-OAQYLSRUSA-N 431.514 2.427 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1539519129 CDSIVAFMEIYSRA-AVRDEDQJSA-N 427.574 2.405 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539603104 KWVKWLIHMJRJAF-CQSZACIVSA-N 437.367 2.395 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1539669083 KVGCXSCJICYANN-HZPDHXFCSA-N 447.552 2.449 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539751622 QNSVCKGTYFXQNC-LJQANCHMSA-N 440.548 2.122 30 10 IEEE CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1540620293 KUQCIANKZJQBNH-UHFFFAOYSA-N 433.461 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)Cc2ccccc2)C1 1540881830 UCKOJXSKSNABGE-OAQYLSRUSA-N 438.576 2.427 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1541105507 KBJANCOHSLWGKP-LVQVYYBASA-N 446.577 2.417 30 10 IEEE CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1Cc1ccc(C#N)o1 1541347127 SORWBMUGHOINOC-UHFFFAOYSA-N 435.488 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N3CCOC[C@@H]3C#N)c2C(F)F)CC1 1543430747 PYGLGDOFTPZCDH-ZDUSSCGKSA-N 440.451 2.152 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(CC)(CC)C(=O)OC 1546038980 HSTBBKZUVVFYJY-MRXNPFEDSA-N 437.562 2.380 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1548266843 LKBIJRJOMNUQIM-LJQANCHMSA-N 448.531 2.251 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)C2)cc1 1556131150 FJOYWJIJZLGPMQ-UHFFFAOYSA-N 428.351 2.195 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)Cc2ccc(OC)c(OC)c2)c1 1556853117 VPTJJQKOEHHWDL-HSZRJFAPSA-N 445.537 2.224 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 1560009622 ZJHMIVGPROZXEN-XOBRGWDASA-N 436.350 2.447 30 10 IEEE CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1565650841 FTONFKHDOWOCMW-FSTYKVKCSA-N 434.581 2.342 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](O)COc2ccccc2)C1 1566332691 NMCGZULWNLSOQZ-QGZVFWFLSA-N 430.302 2.313 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F 1583876208 DDDKXIJMKSDXFU-LJQANCHMSA-N 446.460 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@H]1CO 1587604279 VCXKRLLZZMASPQ-HKUYNNGSSA-N 425.533 2.369 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1587640272 QNDVSXLABHBNPT-FUHWJXTLSA-N 433.553 2.471 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C(C)C 1587921640 DJQHKMZLUHQGJM-UHFFFAOYSA-N 431.610 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[C@H]2CCOC2)CC1 1588955347 VSPQUEFYBNHNEJ-KRWDZBQOSA-N 427.574 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](Cc2ccccc2)OC)C1 1595715473 WYNOENHBSHBRJL-VAMGGRTRSA-N 425.533 2.268 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1596243557 HZAASYODEOZLKA-ABAIWWIYSA-N 437.290 2.448 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)N(C)C 1611751519 FURKGQWJACEAPA-GJZGRUSLSA-N 438.529 2.187 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)CCO1 1612977196 BRGAPKBEBUTYIV-LJQANCHMSA-N 440.548 2.066 30 10 IEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1615985035 POCQGRWWFFSDNC-UHFFFAOYSA-N 438.492 2.249 30 10 IEEE COc1cccc([C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1619333479 DBTZNLRRSMPUFS-YADHBBJMSA-N 447.543 2.304 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C2OCCO2)c1 1619911757 FSDSNHWKLUUUPS-UHFFFAOYSA-N 437.504 2.139 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cs1)C(N)=O 1624572401 BVXSUVQGWMQPMF-ROUUACIJSA-N 443.598 2.451 30 10 IEEE CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)NC(=O)OC(C)(C)C 1628868234 WYHCOTZSKVYTCI-INIZCTEOSA-N 427.498 2.402 30 10 IEEE N#C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)c1cccc(Br)c1 1630698703 HOHYOYZQWVRGBF-DLBZAZTESA-N 432.274 2.417 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)n[nH]2)c1C 1632501161 NRLUZPXPBJVUBI-QAPCUYQASA-N 444.536 2.176 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1632829914 DTEQZJVEONQLCB-WMZOPIPTSA-N 425.432 2.079 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)s1 1634403985 QJQUTNGQXNGUDD-PIGZYNQJSA-N 428.967 2.333 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)c(OC)c1 1634459851 OKTIHJLVIUTJDZ-QHCPKHFHSA-N 435.517 2.388 30 10 IEEE C#CCN1CCC(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 1638678731 QUTUTMKSWKFOEP-AWEZNQCLSA-N 427.364 2.073 30 10 IEEE COc1cc(NCCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ncn1 1638689053 GVSXKKOFGHKAOV-JXORXQGFSA-N 444.536 2.190 30 10 IEEE CCCS(=O)(=O)Nc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1641855281 PPWRNYSRRJYCIB-UHFFFAOYSA-N 445.497 2.356 30 10 IEEE CN(CCc1ccc2c(c1)OCO2)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1644528176 AZGIVXSWALCFFZ-GOSISDBHSA-N 426.542 2.360 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)C[C@@H](C)O1 1649557024 DUSBIVKDYGGTDK-KZNAEPCWSA-N 439.564 2.016 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1650972163 LIBFYVXZNCVSRT-DOTOQJQBSA-N 432.380 2.486 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CC1=O 1651185243 PZJWYHLOUJNEEI-PKOBYXMFSA-N 433.402 2.404 30 10 IEEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1653545178 XGIPUUHQYCKWBK-KAWYEUNPSA-N 436.599 2.387 30 10 IEEE Cn1cc([C@H]2CSCCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 1654917963 BLAMUJWACAXMIQ-RTBURBONSA-N 444.630 2.371 30 10 IEEE C#CCN(CC(=O)NC(=O)NCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1660152031 MKRYJVFKQCEMSM-UHFFFAOYSA-N 428.533 2.347 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1668010862 SIYPYYBNKJNUQD-UHFFFAOYSA-N 425.551 2.154 30 10 IEEE C#CCCCCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1670480766 XQVWWLROJQUOCB-MOPGFXCFSA-N 447.580 2.367 30 10 IEEE Cn1cc(CNC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c(-c2ccc(C#N)cc2)n1 1681499145 HYDLGJRHSAJWHH-QFIPXVFZSA-N 445.527 2.054 30 10 IEEE CCOC(=O)C1=CC[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1682717119 VCQYTPAGBZBKCJ-MRXNPFEDSA-N 440.479 2.349 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2CCCO[C@H](C)C2)c1 1689871856 HHWURASAKWWBMK-LJQANCHMSA-N 438.576 2.398 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1689930477 SHQQANBXQYGIRQ-MRXNPFEDSA-N 449.527 2.198 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1689989328 DGXPWOJMWZQXEF-ICSRJNTNSA-N 446.548 2.099 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCOCC1 1690062264 IUJAEZZHFHULSO-OAHLLOKOSA-N 435.370 2.464 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)CC1 1690236702 PWFZOVCWPBPVPX-FUHWJXTLSA-N 448.568 2.066 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690342639 QYWPSQLGXGOKLC-ZDUSSCGKSA-N 441.941 2.162 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1 1690683252 FXQTZOGVNCLXEV-QGZVFWFLSA-N 434.587 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1690725079 FAHFRMBDJJXYDN-UHFFFAOYSA-N 440.516 2.208 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690749894 SXMBFQDNFMFEQJ-QGZVFWFLSA-N 444.609 2.462 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCC2 1692659471 GHUPORYHXZPTID-NSHDSACASA-N 430.314 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnccc1OC 1705491535 DSXFIZHLEADOSS-QGZVFWFLSA-N 432.532 2.362 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705536901 ZAOQLGQFOVIHPP-UHFFFAOYSA-N 432.532 2.193 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1705561319 PAZHEZRBJJAUFQ-LPHOPBHVSA-N 435.981 2.170 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705598155 CIYQTJXILINPQT-VXKWHMMOSA-N 427.593 2.382 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705601768 VLDREXDXSAXRRY-IBGZPJMESA-N 426.542 2.063 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1705652919 SCKZSSSZBDCECT-HXUWFJFHSA-N 443.523 2.307 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705729460 ZAFUQFSUIRLCDD-ACRUOGEOSA-N 432.613 2.183 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705896118 BWVKGSMULZNZSF-SFHVURJKSA-N 435.532 2.373 30 10 IEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705944453 HULMMXQLSMNGKH-UHFFFAOYSA-N 426.546 2.385 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1706075184 KOFAHEYQMOQDQU-YJBOKZPZSA-N 429.546 2.149 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC1CC1 1706743408 JJGOYZOQMWXRPT-AWEZNQCLSA-N 432.506 2.416 30 10 IEEE CCCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1709676389 KUYDXHMDUAQBFW-JOCHJYFZSA-N 439.495 2.451 30 10 IEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CC1 1711550087 FDJUXHMRYATHED-LJQANCHMSA-N 429.546 2.255 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1712222357 DPFIYZVVSZPELO-UHFFFAOYSA-N 438.532 2.284 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1722296042 MZHMQBINFRHPNY-GVDBMIGSSA-N 432.546 2.114 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1722318997 UHHZXBBHUDEISS-UHFFFAOYSA-N 441.605 2.291 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCCN1CCN(c2ccncc2)CC1 1722349911 GERQHTKCYRKTHX-UHFFFAOYSA-N 430.560 2.325 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1722352712 YHRNSXVTFWIHEQ-UHFFFAOYSA-N 441.551 2.347 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1722353863 VBFVEYHBAVVVHK-UHFFFAOYSA-N 446.515 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(COC)CCOCC1 1722375997 WILUNRDCUVXZDH-UHFFFAOYSA-N 438.528 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1722377545 AXXFREBBHWACOL-UHFFFAOYSA-N 433.537 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722394440 XWNBAFGSXHYQBJ-JOCHJYFZSA-N 432.572 2.351 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cccnc2OC)CC1 1722435230 DUDKPTUHANWKQI-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722537195 MEQIVAKOHSYWAZ-ZWKOTPCHSA-N 445.568 2.203 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2CCOC[C@@H]2C1)c1ccccc1 1722539531 SFXIHJUAOKXYOB-CTNGQTDRSA-N 427.549 2.236 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722542486 BQNKNIHEZCBWBI-RTBURBONSA-N 441.020 2.359 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722558767 XRZSJONKVOBMKT-KFKAGJAMSA-N 436.988 2.261 30 10 IEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722626370 KTEFFBBRCHYODT-UHFFFAOYSA-N 435.532 2.433 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1C(C)(C)C 1722703952 MEXAFHDGCBHMDP-UHFFFAOYSA-N 427.509 2.113 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1724011073 NREZXROOOMJARI-YLJYHZDGSA-N 448.618 2.342 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@](C)(C#N)C1 1727483497 WWRIZEJMPJPEKN-AOMKIAJQSA-N 445.568 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCCOC)cc1 1740532151 XWDJVFUKCAUAQC-GOSISDBHSA-N 425.533 2.436 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740624257 HDSUPRZQCMSAAQ-MJGOQNOKSA-N 447.630 2.041 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1740672032 VEFONDWIOCBXSK-FQEVSTJZSA-N 445.589 2.044 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(-c2ccccc2)no1 1740678166 DFHIGDPPKORBRA-UHFFFAOYSA-N 434.500 2.303 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCOC[C@H]2CCOC2)CC1 1740693823 OBQNWNUJSPMLBN-HXUWFJFHSA-N 439.560 2.152 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)C(=O)NC 1740757360 VIBJUQWJDZQNIH-SYNHAJSKSA-N 441.532 2.473 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740808803 YABJGELYOOHBSD-JXFKEZNVSA-N 445.999 2.415 30 10 IEEE CO[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)(C)C 1748429602 AUGQIIHOUBGDOS-IBGZPJMESA-N 447.547 2.389 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1748752658 ZRYLBIBVJOHUBC-MSOLQXFVSA-N 445.564 2.448 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1748825177 RCGHGBMNFNXXMR-KRWDZBQOSA-N 430.553 2.038 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1748839566 YGZFIITZRGYPNQ-UHFFFAOYSA-N 439.491 2.451 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749457183 HCVSYPSMKXSHJC-APWZRJJASA-N 448.545 2.007 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1749488769 MAIDTJGIUHNPSA-LJQANCHMSA-N 445.545 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC=CCC1 1749725068 NVHVNQNGRNYYKJ-UHFFFAOYSA-N 440.367 2.413 30 10 IEEE COCCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1749852084 OALNDMSXINRCGA-HXUWFJFHSA-N 440.439 2.186 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCN2CC=CCC2)c1 1750191878 GTFFZVOASLHYBP-UHFFFAOYSA-N 440.573 2.350 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2)CCO1 1750387862 CVNLEBUKNRPNJO-GOSISDBHSA-N 426.546 2.063 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1csc(COC)n1 1760101676 AFCVFCLYAMMTCT-AWEZNQCLSA-N 445.570 2.458 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760187911 LVKRCRFJLCMDNK-HXUWFJFHSA-N 427.574 2.091 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1760200528 MITXGLVUERMONI-UHFFFAOYSA-N 439.523 2.482 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760280249 IFAKGFYFADGLLC-GOSISDBHSA-N 437.635 2.353 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)N(C)C)CC1 1760388572 RNGKMOSQOJZQPP-UHFFFAOYSA-N 435.532 2.310 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1760428375 UYESAHQVTJDWKB-QGZVFWFLSA-N 435.594 2.128 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760455030 GJFNFOANLBKVNM-URXFXBBRSA-N 441.576 2.167 30 10 IEEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760468152 JMQVGMPBTOLOGM-GOSISDBHSA-N 442.994 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1760523401 XBOTVOCOGJQHCD-FQEVSTJZSA-N 435.532 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760556677 MQALVZBCIUWNSL-PBHICJAKSA-N 439.607 2.096 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1760565648 BRWDEZSYWQOVQC-DLBZAZTESA-N 428.624 2.352 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccc1F 1761493393 HSSXSTNXYFTOMJ-QRWLVFNGSA-N 434.541 2.400 30 10 IEEE Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1761763401 PPULETVSADVKHH-RMYFCYLKSA-N 428.518 2.315 30 10 IEEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(S(C)(=O)=O)CCCC1 1762629520 DREJGYUURCBUCJ-IBGZPJMESA-N 429.546 2.394 30 10 IEEE CCCNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1764554430 MQKJEISYLHCECE-GOSISDBHSA-N 427.578 2.023 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1n[nH]c(C)n1 1766325734 HEQCYENAMVLDNC-UHFFFAOYSA-N 436.520 2.403 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1768335935 MHQPNWRVNSEZOT-JEUIMVHRSA-N 442.589 2.170 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)NC(C)C 1769819398 KVYJLHIKIWLLDD-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCn2ccnc2C1 1769847049 PNZDKVJVOZUPEL-QGZVFWFLSA-N 440.577 2.459 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1770278040 NMRSHJOEVRYXBK-OALUTQOASA-N 446.502 2.398 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1772566605 VRWUYYAMVGJZKB-GOSISDBHSA-N 437.548 2.406 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1772567398 MEZJVXAQELEFBN-UHFFFAOYSA-N 428.562 2.262 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1 1848880305 NLTZYQLLBYXYQE-UHFFFAOYSA-N 438.553 2.308 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCCc4ccccc43)C2)CC1 1857054091 ZYCMCFOFUUXPJF-AZUAARDMSA-N 429.542 2.047 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 1862606091 JYHGEXBYGLWTDN-HXUWFJFHSA-N 440.427 2.311 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862629749 CSKXUCIHHZJTDU-BBATYDOGSA-N 426.381 2.283 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862695638 HHOGLUWLJLJXNA-RNODOKPDSA-N 425.437 2.426 30 10 IEEE C#CCNC(=O)c1c[nH]c2c(I)cc(Br)cc2c1=O 1866450796 YEFSMPFRBZPQSS-UHFFFAOYSA-N 431.027 2.258 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OCC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870005123 XWSCPJNJMHWXDX-QGZVFWFLSA-N 445.545 2.467 30 10 IEEE N#Cc1ccc(COc2cn(CCc3ccccc3)c(CN(CCO)CCO)cc2=O)cc1 1870348669 HNRZZXUYEDPEOD-UHFFFAOYSA-N 447.535 2.328 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 1892023445 WGSSDLNWNGNBJN-GFCCVEGCSA-N 441.282 2.482 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1964922019 FCZMJQFKKUWKOV-AQNXPRMDSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2060642220 TZAOFVDWAIJTBZ-UHFFFAOYSA-N 431.342 2.133 30 10 IEEE CN([C@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108361922 HUINHONAVZXECI-CZUORRHYSA-N 435.399 2.117 30 10 IEEE C=CCn1ncc(NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c(Br)c1=O 2162319891 FRNUSQAFSVMAFN-KPZWWZAWSA-N 441.326 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248407461 IVUAFDFEBDIBEP-CYBMUJFWSA-N 437.371 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248416607 WGJHZNIPUJZOPT-AWEZNQCLSA-N 435.355 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255831992 GAJHUEKNVMYPFI-CQSZACIVSA-N 434.346 2.086 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255838100 AGGNOKBYGIOFPT-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255872725 CCPWBSACAUGOFL-UHFFFAOYSA-N 425.338 2.055 30 10 IEEE C[C@@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255875168 STMOMNMHOWXHEY-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267003580 QWMGCBSXHPQOAO-UHFFFAOYSA-N 448.325 2.041 30 10 IEEE Cn1ncc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267012690 YJGHXKRDDJPXBI-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2267143285 GGHATKUKQSXNOQ-SOUVJXGZSA-N 446.357 2.084 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC3[C@H]4CC[C@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2267146745 PFAFIBKCMAYZAY-ROUUACIJSA-N 436.365 2.349 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267183680 HSWJEJINBMHQCZ-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C1 2267501189 UFNQYYGPZHCDFA-YPMHNXCESA-N 444.259 2.416 30 10 IEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267551432 MDTYEADPXLNDKM-INIZCTEOSA-N 448.373 2.445 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268645032 SAGYFHJWIAUTJI-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE Cc1nc(NC(=O)[C@]23C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C3)ncc1B1OC(C)(C)C(C)(C)O1 2268650453 PDZROKBPCPKMFW-LIEFOEBCSA-N 444.341 2.326 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2269056863 DFFVPLUFIAHCPZ-IBGZPJMESA-N 440.305 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1occc1B1OC(C)(C)C(C)(C)O1)CCO2 2272936432 AOIGRWQLVHCWRZ-UHFFFAOYSA-N 448.325 2.041 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@](C)(O)[C@H](N)C#Cc1cccc(Br)c1 2278732496 JOLPQLGPQBCILJ-APWZRJJASA-N 427.339 2.420 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2283054913 AQRJRXIHCPIVMG-SLFFLAALSA-N 448.376 2.416 30 10 IEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1 2296549731 QNVCIOGWBCBELW-OAQYLSRUSA-N 437.496 2.234 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)C1=C(O)c1ccc(Cl)cc1 2296573939 FTLAPWGSXZKGEK-LJQANCHMSA-N 427.888 2.489 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)n1C 2315515117 HOPURPCFTLDHHC-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1 2317675865 OLUJTWXQUCVEOF-CQSZACIVSA-N 438.330 2.157 30 10 IEEE COc1cc(C=NN(CC(=O)O)CC(=O)O)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2322992020 JKXALVMJSWQFLV-UHFFFAOYSA-N 431.401 2.296 30 10 IEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cn1 59830106 UTTVGPAQXMMVKL-ZVBGSRNCSA-N 425.522 2.168 30 10 IEEE N/C(=N/O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br 61888098 HIERAHBOEKIDRQ-SCZZXKLOSA-N 441.145 2.405 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(F)cc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102550441 KSSLBOCODHHZDI-LYHOESIGSA-N 430.388 2.165 30 10 IEEE CCOc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1 102722596 LBYQSILYMMGUAU-LCPUNJGISA-N 426.469 2.432 30 10 IEEE COc1ccc(CN2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254415706 AKMAJOSUUWJUBO-OALUTQOASA-N 446.550 2.371 30 10 IEEE CO[C@](C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1F 428276530 LXQUUSUHABTAEL-NRFANRHFSA-N 431.489 2.092 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@@H]1CCOc2ccccc21 461358738 ACHXYRFXHPZCRY-HXUWFJFHSA-N 443.528 2.087 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccccc2OCCN2CCOCC2)cn1 462094252 XAYWOOBQVULDPT-UHFFFAOYSA-N 447.499 2.172 30 10 IEEE COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 465386683 GTRRGJBSLNAOGN-RTBURBONSA-N 447.557 2.381 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 465736244 DPAIHFLQBWCBIH-UHFFFAOYSA-N 430.530 2.264 30 10 IEEE CN1CCC(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)(N2CCCCC2)CC1 466143768 QLLLCQUBOPGBKS-UHFFFAOYSA-N 442.583 2.479 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)ccc1F 477117932 RCNAKCZHJXXOEP-UHFFFAOYSA-N 444.448 2.383 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482602891 HIKUZACXSZUIGI-MRXNPFEDSA-N 432.571 2.089 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 482777767 DSZFUQNEIYUXCI-WIYYLYMNSA-N 430.545 2.265 30 10 IEEE COCCCOc1cccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 506788687 HXUUYEFRXVNCPY-UHFFFAOYSA-N 429.542 2.480 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3ccc(Br)cn3)CC2)c1 513783812 FWMAMDZWMLVKOL-UHFFFAOYSA-N 435.347 2.312 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccccc1 527277634 TVXLRNOEMIHMHO-UHFFFAOYSA-N 449.580 2.155 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(-c2ccccc2C#N)c1=O 533120253 RMIDEFIGACDUEL-UHFFFAOYSA-N 431.521 2.105 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2)CC1 549147442 HNIKCESBOXIAFW-UHFFFAOYSA-N 431.544 2.121 30 10 IEEE N#CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCCO2)CC1 549845804 RDDHXVBLNXVEDW-MRXNPFEDSA-N 429.550 2.157 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccccc1 554152452 XXUAICAPWZAYGC-UHFFFAOYSA-N 448.548 2.030 30 10 IEEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 558997133 IIDJVTBPKPLSNN-UHFFFAOYSA-N 444.543 2.347 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccn2)c1 730143366 ANQXXHYRGZDBLP-FQEVSTJZSA-N 435.553 2.263 30 10 IEEE N#C[C@@H]1CN(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)CCN1C1CC1 732664537 LECQNRVWXZLEBC-CYBMUJFWSA-N 429.571 2.318 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 734293374 SPIDTBWQEIKLHK-UHFFFAOYSA-N 432.523 2.024 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 734293885 RYBYFGYQSKUMJD-UHFFFAOYSA-N 429.542 2.394 30 10 IEEE C#CCN(C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 766631834 KFZWLZAPFXWEDL-GOSISDBHSA-N 427.570 2.057 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)ccc2c1=O 769355372 PUFNCWBQSYAXBW-QAPCUYQASA-N 441.509 2.429 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)[C@@H]1CCCO1 773549090 PDZAYTUPENUSNH-WMZOPIPTSA-N 438.450 2.152 30 10 IEEE COC[C@H](CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C)OC 781101736 CPHDNJNDJKETKR-DOTOQJQBSA-N 443.529 2.407 30 10 IEEE Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)c(=O)n1C 782977755 BWQRBPCUVNYABO-LJQANCHMSA-N 449.536 2.366 30 10 IEEE C/C(=C/C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc([N+](=O)[O-])cc1 783799639 LQZYHQJQQUWUPH-PEZBUJJGSA-N 440.481 2.403 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 788908656 HLHUAIGMBWLKRQ-IBGZPJMESA-N 425.533 2.272 30 10 IEEE C=CC[C@]1(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCCN1C(=O)OC(C)(C)C 790762042 WJDUICBEMXLQJX-MNAFTKGFSA-N 443.544 2.256 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1C#N 793431723 OJCJBIIGLZXKFU-FQEVSTJZSA-N 425.470 2.287 30 10 IEEE N#CCCN(CCC#N)C(=O)COC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 809279889 UXCLIQSFHJCEJT-UHFFFAOYSA-N 427.486 2.017 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)CCC4)cc2C1=O 811209735 YJMKCHPGFXEPLR-UHFFFAOYSA-N 438.461 2.106 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 811523027 AALYHCZUXQPQOI-KRWDZBQOSA-N 435.343 2.478 30 10 IEEE C#CCN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 918756250 MOQILPACQBGSOE-INIZCTEOSA-N 426.523 2.258 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1 1084223492 BUIXLYPDGANHIL-UHFFFAOYSA-N 449.443 2.161 30 10 IEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)c1C 1084232433 VWPQQOYXWSLTRR-UHFFFAOYSA-N 439.549 2.476 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)cc1 1084585312 JOBMCAIKLMHIQY-UHFFFAOYSA-N 426.506 2.353 30 10 IEEE C/N=C1\S/C(=C/c2ccc(OCC(=O)O)c(I)c2)C(=O)N1C 1084589164 KLCVBCQOJNVNHS-IJVIYKIMSA-N 432.239 2.287 30 10 IEEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1129762873 FTNVXIVOKHQQBU-MPGHIAIKSA-N 427.892 2.335 30 10 IEEE Cn1nc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(Br)c1C(F)(F)F 1136107074 AZWBYZXIWDEUEW-UHFFFAOYSA-N 443.227 2.430 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c1 1136207780 ZWUMIZGTQIEBEK-UHFFFAOYSA-N 430.448 2.014 30 10 IEEE CCCOc1ccnc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 1136287702 OJRDMENTORRQPC-HKOYGPOVSA-N 431.518 2.259 30 10 IEEE Cn1cnc2cc(CNC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 1155530349 XDQZFQHTRSTZSN-UHFFFAOYSA-N 439.541 2.489 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(CO)(NC(C)C)CC2)n(Cc2ccco2)c1C 1170468295 CCDQWNXJXKDHQC-UHFFFAOYSA-N 427.549 2.381 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)N(CC(F)(F)F)[C@H](C)C2)s1 1180023258 ZJDPVTNCYPGNLK-BETUJISGSA-N 439.525 2.238 30 10 IEEE O=C1C=COC2(CCN(CCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)C1 1198240683 KWRAVVHUUQQXKV-UHFFFAOYSA-N 447.557 2.137 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)NC1CCN(C(=O)C3CCCCC3)CC1)C2 1198414410 QPSGMGMRLZUFTF-UHFFFAOYSA-N 429.590 2.248 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286299171 BETSXSQFTGQCLO-PKOBYXMFSA-N 431.548 2.223 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1286303571 ZRUCQTLBEQAOTH-IBGZPJMESA-N 435.576 2.213 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1286472124 FEGRMOQLSYTITF-FYYLOGMGSA-N 436.604 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCOC2)CC1 1286489594 YSMYFWVIHLGSOO-KRWDZBQOSA-N 425.508 2.477 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286508287 PSKPBTSZNBCSDH-UHFFFAOYSA-N 434.573 2.055 30 10 IEEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1286823292 LPUMMZOWVYWNPG-MRXNPFEDSA-N 427.582 2.475 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)[C@@H](C#N)C2(SC)CC2)C1=O 1288177275 CDCSARWJEJFJQR-JXFKEZNVSA-N 430.530 2.017 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1C 1289830404 ZWYNTSILDCVYDS-RBUKOAKNSA-N 438.532 2.117 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)cc1 1291722770 QUWCZGHEXGHLMZ-UHFFFAOYSA-N 440.521 2.252 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1297411758 JFHDLPMHYYAYBN-UGNPLGLKSA-N 442.564 2.400 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCOC1 1298185930 CSJGCLAFXUZWNM-LJQANCHMSA-N 438.532 2.403 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2ncsc2C1 1299788451 OWGNSRYEBQXWEV-AWEZNQCLSA-N 432.571 2.416 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1300311328 SBEQKONJBFEOAF-AZUAARDMSA-N 445.589 2.092 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCc2ccccc21 1300509643 QYLRGNQYPIFPFC-IEBWSBKVSA-N 425.558 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1300594926 DEJHSIYJXTXUQC-SFHVURJKSA-N 442.564 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(C)(F)F)CC1 1300710570 GYVPZMGIUMDFEM-UHFFFAOYSA-N 438.523 2.208 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300912553 FLIZBYSDXXGHQE-LJQANCHMSA-N 440.548 2.147 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1301500737 PAWYLKXCMVVXPQ-INIZCTEOSA-N 431.562 2.451 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1301524253 BKXLFEXXVXKPPJ-WZONZLPQSA-N 425.533 2.487 30 10 IEEE COCCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1301670595 GKTNFXCOBSBREK-FQEVSTJZSA-N 438.532 2.433 30 10 IEEE Cc1ccc(C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1B1OC(C)(C)C(C)(C)O1 1303326905 LSLMYURZAZUXBM-OALUTQOASA-N 431.338 2.287 30 10 IEEE N#Cc1cn(C2CN(C(=O)CCSc3ccc(Br)cc3)C2)c(=O)nc1O 1305590368 PYSMZNPZKSQBQL-UHFFFAOYSA-N 435.303 2.149 30 10 IEEE CCCCn1c(CN2CCO[C@](C)(C#N)C2)nc2c1c(O)nc(=O)n2Cc1ccccc1 1308115487 YXHPEDGEAITMDA-HSZRJFAPSA-N 436.516 2.261 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1314740179 PMOXCRDWMXJHKD-XDOYNYLZSA-N 442.483 2.308 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(N2CCCCC2)c1 1316099632 AGGCEVNXKNEESC-UHFFFAOYSA-N 449.563 2.479 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1316100852 BLWZGEDCCVNSQL-JOCHJYFZSA-N 437.504 2.121 30 10 IEEE C=CCO[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C1 1320159822 KJFRQPKLSIOTRO-QGZVFWFLSA-N 437.562 2.085 30 10 IEEE C#CCN(C(=O)Nc1cccc(I)c1C)[C@@H]1CCS(=O)(=O)C1 1325114217 QJRUQQSMKSBEBE-GFCCVEGCSA-N 432.283 2.254 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cnnn1-c1cccc(Cl)c1Cl 1351749779 USKMKSIFQRFQEZ-UHFFFAOYSA-N 433.259 2.258 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)CC1 1359032939 JPFMJOINIOQYGU-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1359045179 ZABUJIXTCPRDPM-FPOVZHCZSA-N 442.608 2.012 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1359207389 JGHAEHKMOQGATN-OALUTQOASA-N 427.553 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C1CCC1 1359293843 BHZVREUTJRXAID-IBGZPJMESA-N 443.573 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359327397 ZREDSCJIGHTFCP-UHFFFAOYSA-N 445.589 2.401 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1360566508 RYIHVKKSQVSORR-UHFFFAOYSA-N 427.302 2.311 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 1450716087 ZEYBOUGATJVLLG-MRXNPFEDSA-N 448.911 2.358 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1460238156 GSJZNRPIOCQHNX-WOJBJXKFSA-N 447.580 2.427 30 10 IEEE COc1cc(OC)nc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 1464960875 BRHPLBREAHGUGQ-OAHLLOKOSA-N 446.305 2.279 30 10 IEEE CC1CC(n2nnc3c2CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC3)C1 1469730643 XMBKYLIBCAZHBY-INTUILBWSA-N 429.525 2.076 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1471398239 OXGHBXBEVQNJMC-SJORKVTESA-N 437.537 2.306 30 10 IEEE N#C[C@]12CN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)C[C@H]1CS(=O)(=O)C2 1472191344 BQFWADQPRLLYRB-XXFAHNHDSA-N 426.267 2.080 30 10 IEEE N#Cc1ccc2c(c1)N(CC(=O)NCCN1C(=O)S/C(=C\c3cccnc3)C1=O)CC2 1473350188 YHGZUACDPJHTBV-ODLFYWEKSA-N 433.493 2.168 30 10 IEEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(Nc2ccccc2C#N)CC1 1473684104 YVRXMZYKUNMAGM-OAHLLOKOSA-N 427.530 2.109 30 10 IEEE CN(Cc1ncc(Br)cn1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478567678 JZCDNOOXIYCPIU-INIZCTEOSA-N 443.305 2.053 30 10 IEEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1C#N 1479276532 VATMQRRORQKEHN-UHFFFAOYSA-N 433.578 2.203 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1479278144 YNRJEFQVSQERAA-YADHBBJMSA-N 447.539 2.243 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)cc1 1492468050 UAUYLDWJFHOPKL-GOSISDBHSA-N 430.578 2.186 30 10 IEEE CCOc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1502880548 DCANSLHPJYGHQV-HRAATJIYSA-N 446.577 2.465 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)C#N)ncn1 1503832148 VEWJRJBDUHQHLW-GVDBMIGSSA-N 425.541 2.226 30 10 IEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCCO2)CC1 1505325490 IBIACRFVIMTEOY-LJQANCHMSA-N 430.553 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1507512652 FSTLHYVXPLRVNX-SFHVURJKSA-N 430.622 2.334 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1507594481 PVNCCDBGRCPELM-KRWDZBQOSA-N 427.553 2.447 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1507597254 WTSFNBBYGGMDKQ-OAQYLSRUSA-N 442.608 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1ccn(C)n1 1507643509 OAKVDRBVOAAUBV-UHFFFAOYSA-N 434.500 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C[S@@](C)=O)cc1 1507657558 UEEUJHWNIDEFHH-WJOKGBTCSA-N 434.569 2.139 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC(C)C 1507699307 FHXHOVUNQUARNI-UHFFFAOYSA-N 440.523 2.208 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1507777765 AYOZNYPXNHFCSA-ZDUSSCGKSA-N 440.367 2.360 30 10 IEEE C=CCN(c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC)C1CC1 1507990735 TVZUATJKZIEARM-UHFFFAOYSA-N 440.367 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2F)CC1 1508083029 ZIAJALFMXZFYLZ-UHFFFAOYSA-N 441.486 2.191 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C(C)C)C1 1508090278 GAWLYDLWLOCOIC-MRXNPFEDSA-N 448.618 2.150 30 10 IEEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)COCCO1 1510346336 ZUZOCNDYHWHTSE-VQIMIIECSA-N 437.422 2.390 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCCO4)n3CCOC(C)C)CC2)c1C#N 1511661789 GAGKTQRKDMSVCV-LJQANCHMSA-N 442.568 2.185 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)c2ccccc2)n1 1511663453 DRINECNXUVAVMA-QGZVFWFLSA-N 441.561 2.352 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1513754529 HRRDIZLASCFLJL-MRXNPFEDSA-N 446.559 2.390 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1513759704 DPIRAWYLPOOAOL-MRXNPFEDSA-N 448.579 2.124 30 10 IEEE CS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 1529383062 KLXBUSVLUQJQDI-ALCCZGGFSA-N 427.482 2.445 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F 1531181223 LSMYVMIEUGAIKF-UHFFFAOYSA-N 426.510 2.272 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1538589810 ZIDQVPAHOYHOGP-IBGZPJMESA-N 430.526 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1538972023 JCEKFNSCOWNQKL-IXFSTUDKSA-N 427.549 2.341 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1cccc(Cl)c1C 1539179989 UZKHJEDHJBBMAX-OAHLLOKOSA-N 449.964 2.240 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)N(C)C 1539284303 MEVMLKYFMWOSSA-HSALFYBXSA-N 440.592 2.462 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCOCC1 1539337119 KWRFNVZQSKERPM-LJQANCHMSA-N 425.508 2.180 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)CC)CC1 1539429743 CGLBDQSBVMLKHT-HXUWFJFHSA-N 438.576 2.268 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)[C@H](C)CC)CC1 1539453251 HBHLYLFFOXFGKU-HXUWFJFHSA-N 434.592 2.002 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539526611 NKTZJOMZXAUZOY-QFIPXVFZSA-N 427.574 2.494 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1539722636 QCSPTPZQUWCMBQ-FQEVSTJZSA-N 427.549 2.457 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1539977997 VOSCJKGLLKECKV-UHFFFAOYSA-N 428.497 2.427 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)cc1 1540189394 RNNNMWBVTVDVII-UHFFFAOYSA-N 426.521 2.160 30 10 IEEE CC[C@](O)(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1540647742 HVCDGFFFLLVEAL-QFIPXVFZSA-N 427.526 2.079 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1540867507 YQZIAJKYAOPLCL-DNVCBOLYSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2nccs2)CC1 1540873159 PFFDZVGRJLEVOX-UHFFFAOYSA-N 443.602 2.406 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1540878166 PXSSXHMZYCMYNG-JOCHJYFZSA-N 448.527 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)Cc2ccccc2)C1 1540881829 UCKOJXSKSNABGE-NRFANRHFSA-N 438.576 2.427 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)C(=O)OC(C)(C)C 1541103819 HEZIWOGRCRDSGX-MRXNPFEDSA-N 433.557 2.367 30 10 IEEE CC(C)c1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541358432 WRJQQBZUSFSJEH-CZIZESTLSA-N 429.569 2.239 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1ccco1 1541800731 GFMKACWSJMZKKF-HNNXBMFYSA-N 436.472 2.478 30 10 IEEE CCc1nnc(N2CCC(OC3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546484965 QBCPAXMGXXRQMV-MRCUWXFGSA-N 428.537 2.295 30 10 IEEE CCCC(O)(CCC)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1546927471 MAYDZHWEQQQBGL-XMSQKQJNSA-N 435.569 2.379 30 10 IEEE CN(CCCN(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC(C)(C)C 1557041611 HEYNNQDJAJIHBB-UHFFFAOYSA-N 438.550 2.208 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 1560009617 ZJHMIVGPROZXEN-JLTOFOAXSA-N 436.350 2.447 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1566818610 FJEGSMRLCRVMEK-QZTJIDSGSA-N 441.594 2.146 30 10 IEEE COC(=O)N1CCC(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1568721117 NMGUGYYWYZPTOK-JQHMZKTJSA-N 434.537 2.368 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1587497055 XILHYLXEOHJNLR-SVFBPWRDSA-N 433.430 2.206 30 10 IEEE C#CCN(CC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)C(=O)OC(C)(C)C 1587696410 LIDUMKSNFAHNFE-UHFFFAOYSA-N 437.562 2.001 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1588083789 JYLLDPFLKXBCJZ-ZGKFLROHSA-N 442.523 2.419 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1589515682 RBODICHAJCCTQE-GHTZIAJQSA-N 425.533 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1595759999 JGMPKNDNNPSNAF-UHFFFAOYSA-N 437.566 2.004 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)cc2)C[C@@H](C)O1 1597706359 ZGODXRZSWXOPDH-ZOCZFRKYSA-N 439.537 2.253 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1598244235 ZFGVCNNEULSGKF-XMSQKQJNSA-N 425.537 2.130 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(COC(C)(C)C)on1 1611319300 DVEIYDBKYYAOGS-OAHLLOKOSA-N 429.525 2.490 30 10 IEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCOCC1 1613751154 FFDCMSODQSKBPD-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N(C)C2CCCCC2)CCOC1 1616140208 GJNITPYEFIEQQW-VGOFRKELSA-N 432.569 2.317 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1620065727 ZCESWXHAZBOGKS-XXBNENTESA-N 441.532 2.112 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)s1 1621282440 MFPWGXRXOWXGDF-OAHLLOKOSA-N 441.962 2.141 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C)c1cc[nH]n1 1628563361 JKRJPZTYFOUABE-CQSZACIVSA-N 433.896 2.084 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)OC)c1 1634316889 QJWZMCZDHADXHF-NRFANRHFSA-N 448.928 2.156 30 10 IEEE COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)CCCC(=O)Nc1ccccc1C#N 1636684822 DKPCKCPJTVGYPD-UHFFFAOYSA-N 431.489 2.400 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](c4c(F)cccc4Cl)C3)CC2)o1 1647039765 GEDABNXOGNWQKE-SFHVURJKSA-N 447.898 2.369 30 10 IEEE C#CC[C@H](CO)NC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1678354318 CIKAADWXJLJIHI-UXHICEINSA-N 429.542 2.006 30 10 IEEE CCOc1ccc(C(=O)N2CCC(NC(=O)N3CCC(C#N)(C(=O)OC)CC3)CC2)cc1 1683449195 DOZCCTXAEFLPCZ-UHFFFAOYSA-N 442.516 2.178 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1686846314 FPIVGJFYLDZEPT-HOCLYGCPSA-N 447.479 2.312 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1689943266 OIEHTAVZIMEMNV-FPOVZHCZSA-N 435.532 2.009 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689993365 BMTPFMBPFLDWGI-GOSISDBHSA-N 432.521 2.075 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689998524 OMLQIOSHDXMDGE-DLBZAZTESA-N 447.561 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1conc1COC 1689998848 YQURZMVJYADCFT-UHFFFAOYSA-N 432.484 2.403 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690312994 IOGCSFRZHZCKPO-IBGZPJMESA-N 430.553 2.302 30 10 IEEE C=CCCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1690467840 KHJJVDOVWFASNV-FXAWDEMLSA-N 426.583 2.300 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2COCCO2)C1 1690690106 RIOFPIWKIKEIBJ-MOPGFXCFSA-N 429.477 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690715488 MRWFVASICQJFPS-KRWDZBQOSA-N 439.626 2.476 30 10 IEEE CC[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1\N=CC=CC1=O 1693994978 AAURNLTXLYOZNP-BQOWYSNXSA-N 446.943 2.341 30 10 IEEE CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1696482267 YCKHMTFPPCGWEG-GOSISDBHSA-N 427.452 2.024 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccc(OC)nc2OC)c1 1705507161 SZNHVZPGIWFHDN-UHFFFAOYSA-N 434.500 2.357 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](OC)C(F)(F)F 1705545354 XDAXDEMLZRWRMO-OAHLLOKOSA-N 430.452 2.385 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1705550375 XFNOPMLLWMNUIX-UHFFFAOYSA-N 434.529 2.343 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705566089 XOUYDARJOXAVRR-RLLQIKCJSA-N 428.558 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1ccco1 1705593854 WRTJZVDTKHDPMG-UHFFFAOYSA-N 447.495 2.448 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(C)CN(C)C1=O 1705630517 WALCIUKUHLMPSP-HSZRJFAPSA-N 425.533 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1705652678 IPOHHJAVCNOETB-TZIWHRDSSA-N 442.608 2.216 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)C1 1705703645 VQMUHUSMVYYXKU-YCRPNKLZSA-N 431.487 2.407 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705822674 MWYJFXJUVRKQOV-KRWDZBQOSA-N 444.561 2.165 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@H]1C 1705825892 GVOVNZWSXYVGSA-MRXNPFEDSA-N 426.550 2.455 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCc2ccccc2F)CC1 1705902835 KMHLKHMKQGATCB-GOSISDBHSA-N 443.523 2.409 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1706074207 XGCWFDYRRNOEGL-HNNXBMFYSA-N 441.536 2.393 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCOCC1 1706076743 HIJFYODLYRDREN-MOPGFXCFSA-N 436.564 2.081 30 10 IEEE CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1709211228 KJNAIWQACDJUNM-MYLKPUPKSA-N 435.532 2.415 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1710873057 FLDJMGUDRLHAIR-CYBMUJFWSA-N 444.344 2.415 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1711804698 MTMWEXYWVKHHEW-ROUUACIJSA-N 433.459 2.225 30 10 IEEE COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712464481 MNEHJWRSCWMNHL-SJLPKXTDSA-N 426.521 2.378 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CCC1 1722295751 LONMBDSZTVSTGZ-NMEJYPJZSA-N 441.605 2.211 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1722296260 OIDSXHPVGXZJJC-ROUUACIJSA-N 438.580 2.215 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1722433793 DKNSTCIKHBRFSB-PMACEKPBSA-N 440.592 2.490 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC(=O)NC)CC1 1722441105 GUDLMXCVINBAIU-UHFFFAOYSA-N 438.576 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722498531 BEPZVTQHTZSYJO-ILOCAZANSA-N 426.583 2.369 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1722697774 OZNPJZZRCFAAKT-UHFFFAOYSA-N 438.439 2.149 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCC(F)(F)C(F)F)n1 1726058383 LFQDHNMLYNAWBZ-KRWDZBQOSA-N 447.412 2.499 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCCCCCO 1726645787 RIPPLQZAPRFODW-IEBWSBKVSA-N 440.552 2.059 30 10 IEEE CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1729223961 AWLZZBXQLRYNHA-IBGZPJMESA-N 442.589 2.426 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1730481491 PZZXHLVVFZKLOE-KNQAVFIVSA-N 439.495 2.287 30 10 IEEE COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730770309 QOXBQFBDRLYBCF-UHFFFAOYSA-N 439.470 2.387 30 10 IEEE N#CCC1CCN(c2nnc(CCc3ccccc3)n2CCCn2cc(CO)nn2)CC1 1731188989 HVAWOENHIWVTNL-UHFFFAOYSA-N 434.548 2.367 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1740624086 FFAXHSPTEOCMEI-LJQANCHMSA-N 434.606 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740636886 HHBLKYIDYUZBRK-PKOBYXMFSA-N 435.532 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CSC 1740760873 LFVXPBWKQTZNGT-XDNAFOTISA-N 440.635 2.493 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740963505 MTIUHRPSUXEPRJ-LJQANCHMSA-N 449.559 2.078 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1741129600 FQVKZYQGAGXLLJ-CADBVGFASA-N 444.559 2.462 30 10 IEEE Cc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1742183396 QHLPIVCQXYUVMK-VZCXRCSSSA-N 440.504 2.236 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)N2CCOCC2)cs1 1742582478 QHGOCHCPPLSNDO-HRAATJIYSA-N 429.594 2.485 30 10 IEEE CCOC1CC(O)(Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@@H](C#N)C2)C1 1746956222 FLJRAIWEPZIWMW-KPRXVCGWSA-N 441.532 2.133 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)C1 1746956268 GFFMCJQULBEIHO-UHFFFAOYSA-N 441.532 2.274 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)CC(F)(F)F 1747948926 IABOWEJSNRESAO-SJORKVTESA-N 447.465 2.026 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN1CCCO 1748647637 RAIOCCLGSPZJIF-WBVHZDCISA-N 449.397 2.351 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749040126 NVGMHPCWQCIKAH-GOSISDBHSA-N 426.590 2.373 30 10 IEEE COc1ncccc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1749142448 BCVMSQHBURMVSQ-UHFFFAOYSA-N 431.500 2.360 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749242022 ZLYNDNJUJMAMTK-NHCUHLMSSA-N 432.613 2.327 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749341635 KZANOPDDJRQWQU-LJQANCHMSA-N 425.533 2.487 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1)C1CC1 1749508372 PIIAWUCLKINCOM-AWEZNQCLSA-N 432.550 2.050 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1749582321 JFFVGBBFWSMVFZ-UHFFFAOYSA-N 439.560 2.291 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1749677883 NKVVYUPAFNQRAR-HXUWFJFHSA-N 448.483 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749725435 UNKTXMWQMIAVBJ-QGZVFWFLSA-N 449.577 2.332 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1749951200 PITXEYNGEWEUTO-OZOXKJRCSA-N 438.532 2.259 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1752305301 TYVJNCWTCLCRGL-AOMYARPXSA-N 442.907 2.350 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@]2(CCOC2)O1 1752311389 ABECYQXNDSBNKK-HXOBKFHXSA-N 438.532 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1760099805 LZPJAELJCLDAFA-MBSDFSHPSA-N 425.533 2.127 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760357319 IEHSRVIHMNWJHS-SFTDATJTSA-N 433.597 2.313 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760368941 BXGLPOTZTKHPOA-INIZCTEOSA-N 437.895 2.101 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760387582 PXHYMAZUGWUMGU-HZPDHXFCSA-N 442.486 2.039 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1760450341 JEHJHOMCCYYFAR-DLBZAZTESA-N 428.624 2.495 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1761322608 WIKCLACHXAMZJY-QUCCMNQESA-N 438.532 2.116 30 10 IEEE CC[S@](=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1766741730 KYZADNALEUCPSN-SRGMZFCMSA-N 438.351 2.205 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1CCOC1 1767445965 BQAATOFQEJIBBF-ZFWWWQNUSA-N 435.326 2.201 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2c(C)nn(C)c2C)CCOC1 1767448264 ABILIRQJNANIKE-FCHUYYIVSA-N 427.553 2.459 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(F)(F)F 1768057409 YNGZEVMDYHHPHU-XJKSGUPXSA-N 436.438 2.451 30 10 IEEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CCC1 1769323712 FEHHWQGTXBZXHY-INIZCTEOSA-N 446.577 2.213 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCc1nccnc1C 1770194104 AQPFCGKXSRNWJO-HKUYNNGSSA-N 425.537 2.473 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1770577863 NYHKWVSZKPMMOP-UHFFFAOYSA-N 435.575 2.107 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCCOC4)n3CCOCCCO)CCO2)c1 1770736116 UDCGHCDCINXPPO-LEWJYISDSA-N 441.532 2.021 30 10 IEEE COCC1(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1770826534 KJYUXQVXDGBDFW-XMSQKQJNSA-N 433.553 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](COC)C1 1772660235 ZJTUSIDYJQRFPT-MRXNPFEDSA-N 448.545 2.137 30 10 IEEE Cc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(c4ccccc4C#N)CC3)c2)n1 1851264504 MDNYRNOPQGPNDO-UHFFFAOYSA-N 440.467 2.460 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccs3)CC2)CC1 1852614501 NLTPEJUVLXBTBX-LJQANCHMSA-N 428.558 2.240 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cc(F)cc(F)c1 1856267538 WOHUSDZXPXEGML-ZDUSSCGKSA-N 433.436 2.039 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 1861246700 BDIFWJQUNSUKPU-JOCHJYFZSA-N 449.482 2.385 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c(O)c2)cc1C 1862402673 DRUBWPCCZTUGTF-HXUWFJFHSA-N 440.452 2.129 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862609639 RHNXASQUNSVDFH-YUNKPMOVSA-N 441.436 2.131 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 1862627804 QMBGCKFOSKSYOO-IBGZPJMESA-N 426.400 2.269 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc3c(c2)OCCO3)cc1F 1862644723 RNBWXGPJIAZXMK-LJQANCHMSA-N 429.400 2.176 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc2c(c1)OCCO2 1862746037 XFCPRLCEGJEJTQ-BUXKBTBVSA-N 440.408 2.325 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCCN(C)C)=C(N)Oc2c1c(C)nn2C 1864316161 FKLACSBZNRFXCU-HXUWFJFHSA-N 439.560 2.446 30 10 IEEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870112758 VEGNFLXNQFVXBO-UHFFFAOYSA-N 440.822 2.355 30 10 IEEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870160514 WISLCLUZIIPZMT-UHFFFAOYSA-N 444.785 2.435 30 10 IEEE CCNC(=O)COc1cn(C[C@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870290150 QSJPUFMBLBXKLW-ZDUSSCGKSA-N 444.557 2.228 30 10 IEEE COc1cc(OC)c(OC)cc1/C=N/n1c(Cc2ccccc2)nnc1SCC(N)=O 1874417140 AMOLRWBIACTVDW-FSJBWODESA-N 441.513 2.354 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 1890221053 GNTAQAQMCBVOPV-UHFFFAOYSA-N 446.523 2.385 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)ccc21 1891211580 UPVSOCCQXNVNHD-UHFFFAOYSA-N 439.541 2.152 30 10 IEEE CO[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CN(C(=O)OC(C)(C)C)C1 2010520205 VSDQOCRPBVZEOH-WOJBJXKFSA-N 428.533 2.105 30 10 IEEE CN(C)CCN(CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)OC(C)(C)C 2010548482 CTJLCBPHAIDDSB-HXUWFJFHSA-N 429.565 2.022 30 10 IEEE Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 2116137722 BYOZTOFVRPUELX-SFTDATJTSA-N 436.365 2.174 30 10 IEEE C=CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(Br)c1=O 2122555438 WSYXDNQCBABQAT-STQMWFEESA-N 429.315 2.238 30 10 IEEE CC1(C)OB(c2cnc(N3CCC(S(C)(=O)=O)CC3)c(Br)c2)OC1(C)C 2172774153 LIZSZVLSQWWOIG-UHFFFAOYSA-N 445.188 2.157 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H](F)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247905000 RDXLMCWYIPLPJU-LSDHHAIUSA-N 448.366 2.441 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2247907470 CNMDXMQZEPPUJP-STQMWFEESA-N 435.355 2.276 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2247928490 ADTQLIXRGZFZQP-UHFFFAOYSA-N 432.273 2.106 30 10 IEEE CO[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1NC(=O)OC(C)(C)C 2254798747 CYAFBZOBKHPIPA-HUUCEWRRSA-N 437.321 2.248 30 10 IEEE COCC[C@H](CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255815539 PDMHYVZSBGYCSK-OAHLLOKOSA-N 438.330 2.238 30 10 IEEE C[C@@H](C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2256673963 WZWGBDSRDATEGV-YOEHRIQHSA-N 435.374 2.420 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2267516938 LIBMSKRKQQAJLS-QZTJIDSGSA-N 438.381 2.454 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 2267529542 MPZXYGIBLUEDJO-LJQANCHMSA-N 439.365 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H](O)[C@@H](N)C#Cc1ccc(Br)cc1 2278808141 ZLRIQWBVXSBCAE-GVDBMIGSSA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300342772 YQXUFKZVGFLEBB-XBFCOCLRSA-N 435.355 2.180 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)cc1 2328371828 STBORVONMUBKFA-UHFFFAOYSA-N 441.469 2.024 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2337193170 BZMJTKQUIASXOJ-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE COc1[nH]c(=NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339790305 KPGVPRAHRHERCK-BFYDXBDKSA-N 445.369 2.479 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 16000137 DYFMWIDZJHBGHI-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccccc2)CCC3)CC1 40815034 YTDFGRKGKCHHMZ-PTGBLXJZSA-N 444.557 2.385 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)c1 59884714 HIWAUAPUMBJUHV-KEBDBYFISA-N 442.461 2.086 30 10 IEEE CN(C)C(=O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 97286807 RVQYAXQVZQFCLR-SFHVURJKSA-N 441.576 2.156 30 10 IEEE CCc1ccc(NC(=O)CN2CCN(CCNC=C3C(=O)CC(C)(C)CC3=O)CC2)cc1 104819534 UUASUOBYGVEIOT-UHFFFAOYSA-N 440.588 2.237 30 10 IEEE Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(OCCO)c1 446581318 HTIXVFGOBVIVDS-UHFFFAOYSA-N 443.525 2.277 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460943453 LMCMTMQMTDUTSH-TZIWHRDSSA-N 436.560 2.273 30 10 IEEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NCc1cnn(-c2ccccc2)c1 461424935 MDUJEWASQRZNGR-UHFFFAOYSA-N 426.274 2.293 30 10 IEEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccccc3C(=O)c3ccccc3)CC2)c1C#N 472211024 SHSIPKIRMSBNLX-UHFFFAOYSA-N 449.536 2.342 30 10 IEEE COc1ccccc1C[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481223216 ACHRYMNALBSZOD-LPHOPBHVSA-N 427.526 2.467 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)CC1 486927706 URDWBSOOIMGUGV-UHFFFAOYSA-N 446.349 2.003 30 10 IEEE CS(=O)(=O)c1nc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c2ccccn12 499442542 JDTLLWXWTLHCHJ-ZDUSSCGKSA-N 433.287 2.495 30 10 IEEE C[C@](C#N)(NC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(F)c1)C1CC1 507396383 CGWNGMNZDKMZIR-ZRZAMGCNSA-N 425.508 2.245 30 10 IEEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508897963 ZWRPORVSCDATOP-OAQYLSRUSA-N 442.583 2.425 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516831210 UQYRMAYZXPIUBG-UHFFFAOYSA-N 425.554 2.141 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCC(C)CC2)CC1 521661444 AHDZLUWXZMHYNK-UHFFFAOYSA-N 427.593 2.048 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)s1 523305926 UVKNMEFABNBPEY-UHFFFAOYSA-N 427.595 2.419 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(Cc2ccccc2)c1=O 524749326 CWEGFTVRKMGDKD-UHFFFAOYSA-N 433.533 2.421 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(N4CCCNC4=O)CC3)n2C[C@H]2CCCO2)c1 549890830 VKSOHTLOJNWSFY-HXUWFJFHSA-N 435.532 2.380 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603798678 CSLSGBYOHXSAQR-UHFFFAOYSA-N 448.504 2.143 30 10 IEEE COc1ccc(CNC(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)cc1 603935473 DTAUFRGWTFMWDA-HXUWFJFHSA-N 443.525 2.053 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2)c1N 608925318 ZKXQNLWVZOMJSH-UHFFFAOYSA-N 436.422 2.203 30 10 IEEE C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(C#N)c1 610346410 JQKCYOHTSCSQST-CQSZACIVSA-N 434.543 2.201 30 10 IEEE C[C@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)o1 610487202 JDMURLXPWXTJDG-HNAYVOBHSA-N 445.544 2.456 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 729183542 HYJZOKCYOOSABH-KRWDZBQOSA-N 449.941 2.373 30 10 IEEE C#CCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 729334983 FYYAYNXRBVXGFE-DOTOQJQBSA-N 442.497 2.425 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3cccc(C)c3C)CC2)cc1 742102291 BQBBJDNJPNFSSU-UHFFFAOYSA-N 426.538 2.339 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2scnc2C)c1=O 743728527 LJIMAVQSMLWGJY-UHFFFAOYSA-N 425.535 2.479 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 743908945 MJFRQOCZGQNAJQ-DNVCBOLYSA-N 441.532 2.410 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2noc(Cc3ccccc3C)n2)cc1 751641838 BQVSJKIKVUIOMH-UHFFFAOYSA-N 425.466 2.237 30 10 IEEE CC1(CCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)OCCO1 758867289 JITSICVKXMVZMT-KRWDZBQOSA-N 428.514 2.312 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ncc(Br)cc2Br)CC1 759682191 ILSLPBZWWSCLSN-UHFFFAOYSA-N 429.112 2.208 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N 763276336 HKWDUVJEQDTCRD-HNNXBMFYSA-N 428.496 2.445 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 766930187 CEFRVYXMFBROFA-POTGORPSSA-N 426.517 2.293 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2CC2CC2)C1=O)NC1CC1 769742828 PCLSDXNERSJATP-MRXNPFEDSA-N 443.508 2.023 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 772208239 OLYGVIUBFNGXTN-SFHVURJKSA-N 447.557 2.212 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 790567182 RPUUURJDWFTIGD-WZONZLPQSA-N 434.581 2.273 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4ncccc4c3)n(CC)c2=O)cn1 794595527 OGTUOHLEPRXJLT-UHFFFAOYSA-N 443.532 2.470 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(Cl)ccc2N2CCOCC2)n1 798491066 HLWUWSZECZEQRY-UHFFFAOYSA-N 445.951 2.365 30 10 IEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 800776671 GZIBKDNBBGCLAK-ROUUACIJSA-N 432.569 2.099 30 10 IEEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(F)cc1 812926992 QOZBYMJUZKBQBP-FQEVSTJZSA-N 430.505 2.258 30 10 IEEE Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)nc1 858043828 ZOFDBJBYGPRIEC-RTBURBONSA-N 425.558 2.314 30 10 IEEE COc1ccc(OC)c(C=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1 1084637323 PAKHJNVCTCPGEM-UHFFFAOYSA-N 427.509 2.162 30 10 IEEE C=CCCn1cc(C(=O)Nc2cc(I)cc(C(=O)OC)c2)nn1 1127696627 NHXGRZZESSCUIJ-UHFFFAOYSA-N 426.214 2.498 30 10 IEEE C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)c1 1130902063 IGUSQNZBEUHGML-HUUCEWRRSA-N 425.407 2.056 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(CC#N)n3)CC2)cc1OC 1132797555 VMBWZZCGXCLRJD-UHFFFAOYSA-N 444.513 2.204 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1137587809 KKTQZDOFGMULCL-RTBURBONSA-N 436.597 2.249 30 10 IEEE CC1(c2cccc(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c2)OCCO1 1141573638 JZDUJIBYONWZCZ-FQEVSTJZSA-N 448.479 2.299 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)s1 1142176716 KYYRXRFYSZOVGQ-KRWDZBQOSA-N 433.599 2.488 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)Nc1cc(C)n(CCC#N)n1)N2C(=O)OC(C)(C)C 1152989649 UEFNKZDRORKNIQ-NXNVCVFFSA-N 431.493 2.231 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1)C(=O)OC 1161364428 CGYHIJNMYKAPSO-CVEARBPZSA-N 437.290 2.231 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)c1 1171792611 WEWQJTRHONOOST-NRFANRHFSA-N 444.557 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCS(=O)(=O)C(C)(C)C3)C2)C1 1179552470 OZKHKITYOPZCQK-FMPZLKCCSA-N 439.578 2.245 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2ccncc2)c1 1286312404 XSZZGGTUQVKINK-HXUWFJFHSA-N 430.512 2.476 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)C1CC1 1286397416 NQGYXOVLKGSNSY-FXAWDEMLSA-N 425.558 2.155 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nnc(C)s1 1286447852 NTRFRGPUADBXEF-UHFFFAOYSA-N 437.577 2.314 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccccc1N1CCOCC1 1286466044 BTSJTENWWJDMRS-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)CCOC)CC1 1286471872 AUOGAQHFNMVKCQ-QHCPKHFHSA-N 433.597 2.137 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286564313 MRYMZVKTUNXMBC-ZJOUEHCJSA-N 445.589 2.259 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1286567720 WYTCUENMVPNHPO-UHFFFAOYSA-N 441.536 2.420 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1286663604 NZGJDHYHQHOHMS-UXHICEINSA-N 430.597 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2conc2COC)C1 1286812992 QJWOFLIYIPBKGH-GOSISDBHSA-N 427.509 2.104 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3nc4ccc(C#N)cc4[nH]3)n(C)c2)C1 1287394205 AZKAHSNVESCWGS-CYBMUJFWSA-N 426.502 2.446 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1294335502 CTMWSEKPZNMAIO-HXUWFJFHSA-N 447.547 2.241 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)C1 1299028522 NMSRGBUWFYIICY-QHCPKHFHSA-N 434.500 2.375 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300497363 YKEDXXZJXJFNRH-SJLPKXTDSA-N 434.949 2.110 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1300498832 NJUGOXWWLOWHEI-MOPGFXCFSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCC1 1300522926 QIJOIVSJNAFVMG-UHFFFAOYSA-N 442.541 2.002 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300535316 JPFIJXXEFGKDTR-QHCPKHFHSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C=C)cc1 1300556596 JUCGIGVZYPFZOC-GOSISDBHSA-N 425.558 2.237 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1300700474 QULPIYFCBBSYQZ-HXUWFJFHSA-N 425.581 2.137 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1300813944 WMDDCJDKTLPUSP-HXUWFJFHSA-N 447.465 2.444 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301000628 UZDKOJFDSCMSIS-HSZRJFAPSA-N 436.516 2.038 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301260049 SJYASCFGPSVINP-LJQANCHMSA-N 433.578 2.260 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOCC1 1301363412 RFNANRYJBJTBHN-GOSISDBHSA-N 430.578 2.206 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H](C)C1 1301415550 WGIRTLPUZBBCCI-ROUUACIJSA-N 438.536 2.375 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1301517722 BIMPWWFUHJJZOZ-QFIPXVFZSA-N 431.512 2.396 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC2)C1 1301534454 BELZSEVITFYUHO-GOSISDBHSA-N 425.537 2.193 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2c(C)noc2C)CCO1 1301898147 CIMVOXQIHJJCIM-HXUWFJFHSA-N 449.515 2.006 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCCCC1 1302092342 IOPJKANUZHDAEE-CTNGQTDRSA-N 445.612 2.055 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc2c1NC(=O)CO2 1302904450 INNPWIQSKVUFRO-HNNXBMFYSA-N 442.497 2.109 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1305726302 YPRTZCSUQNGKRB-VQTJNVASSA-N 440.548 2.244 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1307497273 DNKGDMHLKJVARM-MRXNPFEDSA-N 435.446 2.409 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](COC)C2)CC1 1313957195 DVDWYSNKYZITMT-OAQYLSRUSA-N 437.592 2.317 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1315827043 WJYSOYBSPJTTDN-IEBWSBKVSA-N 439.495 2.441 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)CC2)o1 1321311767 MXJIRXYOKBIGAA-UHFFFAOYSA-N 427.427 2.131 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1344050305 NGIKBRCKBMUBSS-OALUTQOASA-N 428.558 2.368 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[C@H]2COCCO2)c1 1358901573 PCZWAIKXOWNATG-FQEVSTJZSA-N 448.527 2.145 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1358920246 VUWONZWSIGBUDB-MJGOQNOKSA-N 431.562 2.270 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1359044097 VKPWSUCOONSCPT-UHFFFAOYSA-N 427.578 2.319 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359168439 UPAPKGYZQYBDKN-MRXNPFEDSA-N 449.602 2.251 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359219335 NVAYFYIXQZUPIA-KRWDZBQOSA-N 441.532 2.438 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1c(F)cccc1F 1359291497 SMIKEHHHPXELKM-UHFFFAOYSA-N 432.475 2.121 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359306099 VUHYMPMQUKLCSM-MGPUTAFESA-N 427.496 2.102 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359340543 QRRKOXWNNDBUNT-QGZVFWFLSA-N 441.561 2.026 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359345451 GSVCEAMFHOTZLJ-QGZVFWFLSA-N 428.562 2.372 30 10 IEEE COc1ccc(CN2C[C@H](C(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)CC2=O)cc1 1436411649 FKINEFUMQUKWNT-QGZVFWFLSA-N 430.468 2.443 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)CC1 1448348746 FVTTYOAFWINULL-UHFFFAOYSA-N 444.532 2.391 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CCO2)cc1 1456475718 MMAKWNWTFJDUQV-AWEZNQCLSA-N 425.919 2.152 30 10 IEEE C#CCC1(O)CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1460696091 QOXYGEZLCHIRLJ-SFHVURJKSA-N 433.574 2.038 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@@]2(CCCOC2)O1 1463608374 HZZJAYFCRLVARZ-MEDUHNTESA-N 433.299 2.418 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1463940110 RGSZGADRTONPQD-FQEVSTJZSA-N 435.590 2.224 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCOc1cccc(Cl)c1Cl)c1cc[nH]n1 1464416539 CZQYXCLMZRRJMF-UHFFFAOYSA-N 429.260 2.196 30 10 IEEE CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1nc(N)nc(C(F)(F)C(F)(F)F)n1 1472877586 XAXJWZUKCJFLHZ-ZCFIWIBFSA-N 446.306 2.461 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Br)cc1 1475334910 ZJEVLKJHJIWNPD-MRXNPFEDSA-N 433.283 2.328 30 10 IEEE COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478419774 CUVVGYXJOBWYIA-NRFANRHFSA-N 427.549 2.053 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1503135749 AFTRFFOTSBPLGI-SFHVURJKSA-N 446.577 2.009 30 10 IEEE CN(Cc1ccoc1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503507152 YDMZENVQXWJFBW-QZQOTICOSA-N 433.472 2.020 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)CC1 1503888406 AXGSFSUIFNMEKR-UHFFFAOYSA-N 433.472 2.157 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@](C)(O)CCOC)c1 1507547125 JRXJEDYTICWZTI-QHCPKHFHSA-N 427.549 2.419 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCSC)c1 1507551234 VRIOWWUTIOQUPH-QGZVFWFLSA-N 426.546 2.039 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507629222 RMZSIYFNODPNIO-SJORKVTESA-N 449.964 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2csc(C)n2)CC1 1507736898 VFURXRUXQKNURD-UHFFFAOYSA-N 435.557 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(OCC)CCCC2)CC1 1507738322 NECMOXIUTUMUTB-UHFFFAOYSA-N 437.548 2.050 30 10 IEEE C=C(Br)Cn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@@]1(OCC)CCOC1 1507794624 ZFRAHPKFCKDIOW-QDXKRRSBSA-N 441.370 2.436 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1507795383 DMLNMZFAPQTBHF-QRVBRYPASA-N 438.594 2.024 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1)c1ccccc1 1507924544 OWJQXHJZFUTMHZ-VAMGGRTRSA-N 425.533 2.441 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1508146951 FHJGHLYQUGQCME-UHFFFAOYSA-N 434.610 2.317 30 10 IEEE Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCOCC(F)(F)C(F)F 1511821017 WFODBIJQRLCEOB-UHFFFAOYSA-N 449.371 2.398 30 10 IEEE COC(=O)c1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n(C)n1 1538726477 JIWWESQJLUVTMB-KNVOCYPGSA-N 435.271 2.450 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1538938578 KBCQLCWEFXAAOH-UHFFFAOYSA-N 427.526 2.055 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC(=C)C 1539237850 MAAIKWAZJYUUSW-UHFFFAOYSA-N 440.573 2.212 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1-c1ccccc1 1539377898 PCXQVRVMFHLCJK-UHFFFAOYSA-N 446.540 2.358 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCOc2ncccc2F)CC1 1539434835 VGDSMVOXHNQHPY-UHFFFAOYSA-N 436.491 2.322 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1539534441 RJIKDGTVMCJUHG-FGZHOGPDSA-N 439.589 2.355 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539613448 YCKBBUAZKVBSTK-CQSZACIVSA-N 438.305 2.294 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1539628920 UINXBLJFKAYTPS-FXAWDEMLSA-N 425.537 2.021 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540004677 DNYCYEUMBCMLMR-KKSFZXQISA-N 434.537 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(OC)c2)C1 1540890741 JKYNAXHKKKHWSI-DBVUQKKJSA-N 441.532 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C)CC1 1540897211 DEDJCUKRCYKTKL-MRXNPFEDSA-N 425.599 2.424 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCCOCC(F)F)CC2)c1C#N 1543002074 MAAUQLNPRBRAGH-UHFFFAOYSA-N 448.522 2.458 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(I)cn1 1543895787 APPABGHQCZXGRJ-UHFFFAOYSA-N 439.213 2.225 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1554128201 WCNWUSAJRUNSGK-OAQYLSRUSA-N 428.562 2.036 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cn1 1554330092 HPAGEZAURCPCGW-LJQANCHMSA-N 431.566 2.166 30 10 IEEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C(F)(F)F 1554624922 UPCCRDNNBHLVBQ-LSDHHAIUSA-N 449.499 2.278 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCCCC2 1555634429 VCOWIDMWHCUJOE-QGZVFWFLSA-N 442.568 2.498 30 10 IEEE CCO[C@@H]1C[C@](CO)(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1(C)C 1556222616 ZVICBCJOVCBMTC-KLHOMCTFSA-N 435.565 2.456 30 10 IEEE CC(C)C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1557115430 UZVHSDMCYNLSSM-NVXWUHKLSA-N 437.562 2.345 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 1557973563 YNIMIIRPLLHEFJ-HLLBOEOZSA-N 449.573 2.376 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1 1558952595 DFIJAAGGQFKEGA-UHFFFAOYSA-N 439.273 2.371 30 10 IEEE CCN(C(=O)c1ccc(C#N)nc1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1584718598 WHPPLHXJDOPUNU-MRXNPFEDSA-N 429.521 2.273 30 10 IEEE C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(I)cc1 1585296942 NXWZBEBFUKDJAI-ISOHDOPZSA-N 439.253 2.037 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc(Cl)c(C#N)s2)C1=O 1587237167 UMFXCUHJKYZHMF-GOSISDBHSA-N 433.877 2.391 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)NC(C)C)c1 1587692766 KYOYUXICLDWHLD-IBGZPJMESA-N 438.532 2.101 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587872452 JKHPYGHFRDBAJF-QPPBQGQZSA-N 448.615 2.466 30 10 IEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1588049168 BDYXNVWGRXZURZ-INIZCTEOSA-N 447.561 2.069 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cccc(OC)c1 1588229305 SYPOXFNYGZKVTC-NRFANRHFSA-N 435.528 2.421 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C)CC1 1594820156 VXIZOXVYTKAFFC-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595501470 VIRCJHSIIKKFJJ-UHFFFAOYSA-N 443.511 2.345 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1Cc1ccc(C#N)o1 1613573619 ZRBWZGSRKWPAFK-INIZCTEOSA-N 437.508 2.142 30 10 IEEE CC[C@@H](C)[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)NCCN1CCOCC1 1614982520 LUZWSAOMEYZAJA-DENIHFKCSA-N 440.588 2.349 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCS2 1618557169 PGYIXFAHYHCLIQ-PYCORMQUSA-N 427.526 2.245 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1nncn1-c1ccccc1 1619913335 ZXIQMHZAQGZQIB-SFHVURJKSA-N 436.520 2.168 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@H](F)C2)CC1=O 1619938581 BEONRNXDLNCSTC-HKUYNNGSSA-N 426.496 2.250 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCCCCO)cc1 1620352257 NZWOWDJWYBJTHH-LJQANCHMSA-N 438.532 2.092 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCCC1 1620384803 GWLQHCIWVLBQCF-FMQUCBEESA-N 426.452 2.123 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)N(C(=O)CC)CC3)c1 1621669447 WFANQFJCRUJXNN-UHFFFAOYSA-N 425.510 2.226 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1 1622964825 RLXQZPSXUNVHDB-XMMPIXPASA-N 442.560 2.238 30 10 IEEE C=CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1627150817 RDYAUPRRLKLFCU-UHFFFAOYSA-N 430.526 2.327 30 10 IEEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1 1635708410 QKQKTTNSDHYDTJ-UHFFFAOYSA-N 445.585 2.142 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)N(CCO)C[C@@H]2C)n(Cc2ccc(F)cc2)c1C 1646271352 DZIMHIXNBOLZJC-SJORKVTESA-N 441.551 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 1648311449 IKFGLFVIIHSPQT-WMZHIEFXSA-N 431.533 2.204 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)C2)nc1 1652332335 UVAKTTAITZMSCW-NJYVYQBISA-N 449.511 2.128 30 10 IEEE Cc1oc(NC(=O)[C@@H](C)N2CCn3ncc(I)c3C2)c(C#N)c1C 1655680258 CSCBESPZEWFPRI-SNVBAGLBSA-N 439.257 2.412 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](c3ncc(Br)cn3)C2)CC1 1660142462 QESHFZXLRWEBNU-SJLPKXTDSA-N 449.397 2.111 30 10 IEEE Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1662317546 CIBYWLNCJHQNAI-HNNXBMFYSA-N 425.308 2.423 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@]2(CO)CCc3c(OC)cccc32)cc1 1665969200 KXQIZEKGEOZLRB-QFIPXVFZSA-N 445.541 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1ccc(OC)cc1 1689826474 OJMFQVOKVZDNJY-IXDOHACOSA-N 433.578 2.234 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCOCC1 1689961463 YSGRTLQGIOOEND-UHFFFAOYSA-N 438.557 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOC1CCCCCC1 1690033343 VQXSTLFPPMLQNZ-GOSISDBHSA-N 435.594 2.091 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CCOCC2)CC1 1690115472 HGBMEDFTHRMUOY-UHFFFAOYSA-N 448.571 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)CN2CCCC2)CC1 1690146147 GYVZNLQWSLSKAU-TZIWHRDSSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCSCC)CC1 1690150660 PQKUJYAQCNVNQL-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C)C1 1690157452 HIKOAVPIGHGRJI-OAHLLOKOSA-N 448.618 2.138 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690307381 ZAFGQDJYYWIKRD-UHFFFAOYSA-N 442.539 2.078 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690419447 SBJNYVJJGKSDIB-MRXNPFEDSA-N 425.599 2.422 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1690481618 KRXLJCIPQZLQSB-INIZCTEOSA-N 435.532 2.308 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690674783 FIFPMDKKJPYWQN-UHFFFAOYSA-N 438.576 2.060 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@]1(OCC)CCOC1 1690676855 GQRUDJGOXGDLNL-MWTRTKDXSA-N 443.523 2.495 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1691359046 DIPITJCWXXKEQE-WOJBJXKFSA-N 441.532 2.274 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1697776553 SMEVFXZDEAQCED-VQTJNVASSA-N 439.495 2.212 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCCC2)c1 1705506666 DSYDMHINVSFZOW-FQEVSTJZSA-N 436.560 2.324 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nc(CC)ns2)CC1 1705657525 HXHGQCPGXJELHG-UHFFFAOYSA-N 442.618 2.391 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCNC(=O)C1 1705710579 YMWCFMMWPGQSFD-XMSQKQJNSA-N 425.533 2.337 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1705861540 IIYGYRVSMCUOJO-CTNGQTDRSA-N 438.576 2.390 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cl)C1 1705916489 PNHUTTWXOILCNQ-GDBMZVCRSA-N 439.969 2.371 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705932456 DRUQINMWKUYYHI-SJORKVTESA-N 433.553 2.358 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CC1 1705988464 WCDUHKGHWIZMPR-OAQYLSRUSA-N 438.532 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1706160870 GKWDEFIALNEJDC-UHFFFAOYSA-N 436.476 2.305 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1712510938 UKXJTAZZYZSFCO-LPHOPBHVSA-N 440.548 2.425 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NCCC 1722285841 ZKLGKEITKRFUAT-OAHLLOKOSA-N 430.940 2.236 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H]2CCS(=O)(=O)C2)c1 1722304816 INUASZVRIMPETJ-FUHWJXTLSA-N 443.573 2.283 30 10 IEEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722327001 AZMUVWPGMRBESC-UHFFFAOYSA-N 448.571 2.192 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(CCC)C1 1722383344 OFJGNCCRUVZCHP-OAQYLSRUSA-N 446.603 2.257 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722419274 VTLBRYUUSNDEPT-AUSIDOKSSA-N 430.597 2.111 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722456207 UVIAWBIPQUBRQC-MSOLQXFVSA-N 444.605 2.018 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722487302 LZLJTZYDGPDMQG-HNNXBMFYSA-N 438.370 2.441 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1722510231 SGOOKYFFNPVKHX-GHTZIAJQSA-N 432.613 2.106 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1722729210 YGQGLJFOINKNAT-UHFFFAOYSA-N 434.562 2.485 30 10 IEEE CC(C)COCCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723502137 VKBBIWULYDEXBB-MRXNPFEDSA-N 426.521 2.380 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@@H]1C 1728553824 CZUFATCFOLRQHQ-ZWKOTPCHSA-N 449.563 2.307 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1729927890 KSYBAECADHLQKH-JOCHJYFZSA-N 426.521 2.260 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)N(C)Cc2ccccc2)CC1 1740691546 HZORQCBWKOGHCJ-UHFFFAOYSA-N 432.528 2.260 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740790583 UDPWCMMJERUVQC-MSOLQXFVSA-N 441.532 2.270 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(C)c2)CC1 1740868437 KPXMDFXPBWZVLH-IBGZPJMESA-N 446.621 2.485 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1740869926 DUVNNLJWSCFSMX-UHFFFAOYSA-N 431.562 2.407 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(N)=O)c1 1740897023 QVXIETNENAWULX-UHFFFAOYSA-N 439.545 2.008 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1741015977 DXZAKZPLVSGPPS-WTPASJBYSA-N 440.573 2.032 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1748640424 VAOQTQZAPSYPHC-CHWSQXEVSA-N 425.942 2.057 30 10 IEEE C#CCCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748730648 POFQWSVDZGKPKR-YCRNBWNJSA-N 429.565 2.179 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748820106 ZEKUUXBJKXJQFE-RTWAWAEBSA-N 440.569 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN(CC)C(=O)OC(C)(C)C 1748855674 GQVCVHYTENBCDP-UHFFFAOYSA-N 439.564 2.470 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1snnc1C 1748858565 DNRBWUSQWKQSOB-IYBDPMFKSA-N 441.561 2.330 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1748921098 XUAAKCQOYSBRAY-LNVKXUELSA-N 443.511 2.423 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1749009592 KQNIWBBRMYGHIZ-HBMCJLEFSA-N 441.576 2.119 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)cc1 1749051265 BMWPYAVYZKWZBI-HSZRJFAPSA-N 429.484 2.065 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CC1(N2CCOCC2)CC(OCC)C1 1749080520 QCFGACLKNMCAEO-RUDSSYLZSA-N 431.581 2.077 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1749165856 QRWPLXLUNNMHCQ-UHFFFAOYSA-N 437.591 2.249 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749240148 TXPZGKMCFFOXIE-LJQANCHMSA-N 440.548 2.280 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1749368808 QVGLKGKNUBKPRQ-MSOLQXFVSA-N 440.610 2.413 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1749456469 GENUZXVEHLOMIN-JOCHJYFZSA-N 440.527 2.487 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1749500787 FYXXNQVTWLCHMN-AUSIDOKSSA-N 441.532 2.397 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749671913 NSZQMXQPJCMQHW-MSOLQXFVSA-N 442.951 2.072 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749677381 XNIHQUOWFOAHJI-IBGZPJMESA-N 438.576 2.059 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1760097598 HQJKVTBDSDYXCU-ZWKOTPCHSA-N 445.589 2.095 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1 1760122387 KRTUVJHBYUCWRZ-FQEVSTJZSA-N 435.576 2.214 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1760165016 GZSGTRKEEYJYRN-QHCPKHFHSA-N 441.532 2.001 30 10 IEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1760179749 YMNVBHTZVYNGQE-AQFXKWCLSA-N 435.594 2.040 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188940 RNXRRDUVRTYFPA-AZUAARDMSA-N 446.548 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1760201001 FGOMLADFMGEEDW-OAQYLSRUSA-N 430.512 2.388 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)C(F)(F)F)CC1 1760269388 GWFLSVAKTQZWRF-HNNXBMFYSA-N 427.471 2.336 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760528888 PREGRGIPQQQTAN-CQSZACIVSA-N 443.533 2.169 30 10 IEEE CC(C)(C)[C@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1760716706 VXKLYBLSZZPJII-VFNWGFHPSA-N 447.561 2.335 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccc2[nH]ccc12 1761481777 CBPFONZDWLXDAA-VBKZILBWSA-N 445.524 2.054 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C#N)o1 1767634638 MIVJXKNLKQBEQR-GOSISDBHSA-N 434.456 2.498 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCOC1 1768576393 HTVODIMBAXULLL-PGRDOPGGSA-N 442.589 2.391 30 10 IEEE COC[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769214867 YNVWOWFGQDHBRG-MJGOQNOKSA-N 425.537 2.048 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCc4[nH]nc(C#N)c4C3)cc2)C1 1849599973 SVUVYNUSLZGTPO-GJZGRUSLSA-N 427.530 2.146 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)NC1=O 1851143701 UHYIFKRKKLSTQT-LJQANCHMSA-N 448.454 2.234 30 10 IEEE Cn1ccnc1S(=O)(=O)C1CCN(CC(C)(C)C(=O)Nc2ccc(C#N)cc2)CC1 1852151808 UQFOEIZUYDRZHR-UHFFFAOYSA-N 429.546 2.195 30 10 IEEE N#Cc1cccc(C(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)c1 1852833989 PQIAJSRHAWSDMN-FQEVSTJZSA-N 426.494 2.321 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)C(=O)C1 1853948453 NULLJACCKDKYJO-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE COc1ccc(Cl)c2sc(N3CCN(C[C@H]4CC(=O)N(C(=O)CC#N)C4)CC3)nc12 1854397738 OJCSPOSVLXCYGX-CYBMUJFWSA-N 447.948 2.369 30 10 IEEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1854591407 YFFLBAMTJGSZLS-VQTJNVASSA-N 431.558 2.031 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(N(C)C)c(C)c2)cc1 1858978021 GWWHLNUXLBVXRJ-UHFFFAOYSA-N 444.557 2.207 30 10 IEEE C#CCOc1cn(CCCOCCCC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871005372 CMBPHSUMZRNRCP-UHFFFAOYSA-N 447.557 2.327 30 10 IEEE C=CCn1nc(C(=O)NC2CCN(C(=O)OCC)CC2)c(I)c1C 1871329422 AYWZQSIQPDBMTA-UHFFFAOYSA-N 446.289 2.333 30 10 IEEE Cc1ccsc1/C=N/Nc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873527268 RTRUWUGWSZEWJJ-JYMRLUDQSA-N 431.337 2.181 30 10 IEEE COC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874466948 KSGUKQXGUCOZRS-DJKKODMXSA-N 445.413 2.365 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cs1 1889465915 QHPPYEOOIRUPTP-LBPRGKRZSA-N 425.436 2.481 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)ccc21 1890857834 JMDQKWOSHFIMRF-KRWDZBQOSA-N 435.546 2.377 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)COc2ccc(-n3cnnn3)cc2)c1 1891906164 LMPSYMOWUWRGPL-UHFFFAOYSA-N 434.500 2.086 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCOC1 1964925957 VRNSDSOILZPCCA-NJYVYQBISA-N 442.560 2.400 30 10 IEEE C#CCOCCOCCN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1988552833 WGPMBIDCWBXJNF-UHFFFAOYSA-N 427.542 2.358 30 10 IEEE COc1cc(C=CC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OC)c1O 2053614673 FHKIUYMNFGQUOW-UHFFFAOYSA-N 433.482 2.326 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)O1 2141676489 AGECOVBZGPGNEJ-CVEARBPZSA-N 447.341 2.392 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2224134967 AHWKIHBIIAYISJ-DOTOQJQBSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2232300072 POKGSTKFKHVKRP-HOTGVXAUSA-N 447.341 2.328 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248403464 GTNUGXIXVLEEHW-LBPRGKRZSA-N 443.350 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248413852 BCRAIEHUERYQIT-FQEVSTJZSA-N 437.371 2.458 30 10 IEEE C#CCN(C)C1CN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1 2248463819 VAYVAQVXRFRGDA-UHFFFAOYSA-N 427.545 2.216 30 10 IEEE CC1(C)OB(c2ccnc(N3CCC(CNC(=O)C(F)(F)F)CC3)c2F)OC1(C)C 2254801397 JAWBLOCPJYZPGE-UHFFFAOYSA-N 431.239 2.415 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603098 AWEYETDIPLQWJQ-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2255825575 BTPCMRJKXIQZIL-ZIAGYGMSSA-N 434.346 2.131 30 10 IEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830898 MJBVJIBJDHCVNZ-CQSZACIVSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)nc1 2256625870 CRNWXRVRCFOJOZ-UHFFFAOYSA-N 447.326 2.254 30 10 IEEE CC(C)(C)OC(=O)N(O)CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2256658805 MYGSFPFXUZPSMV-UHFFFAOYSA-N 432.326 2.497 30 10 IEEE Cn1nc(C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267121234 VLTHVPYCKDXJMM-IBGZPJMESA-N 438.381 2.360 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130922 UWZAAGJCMINASF-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE Cc1c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143042 CAZAFXULGXSYIP-ZDUSSCGKSA-N 448.373 2.013 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267161851 ICSKWWJWJGAWLK-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CCn1cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267181311 QQWSXWRHANVOJW-CABCVRRESA-N 448.373 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267265998 MRRDAYVQLVYEHP-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CCON(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267478947 FQYZVYRZOURVQO-UHFFFAOYSA-N 447.341 2.394 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CCC2)n1 2267492896 DXSQCKJKCWICHC-UHFFFAOYSA-N 448.373 2.192 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 2267497620 DRLGHMIJLOIZID-KDURUIRLSA-N 436.365 2.208 30 10 IEEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271394639 KLVMSPDMBQZRLL-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272650364 LUNXVMARJLZSGU-WNSKOXEYSA-N 445.369 2.311 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2295071166 QLNIQSYBIUABMY-SECBINFHSA-N 438.286 2.015 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)cc1OC 2296623817 VRKKDGPQJOTHSR-FQEVSTJZSA-N 442.516 2.037 30 10 IEEE COc1[nH]c(=N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2317503209 KKPODSQCWDMCGI-YSVLISHTSA-N 431.342 2.231 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCCN1C(=O)OC(C)(C)C 2337191791 DFPHNVURMPEAAA-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE COc1[nH]c(=NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339787717 DSFRLEKVJAQJNC-WNSKOXEYSA-N 445.369 2.480 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2352397148 GDVKMVJKEIXLHH-CQSZACIVSA-N 446.357 2.294 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 109888650 MTMJOTWIVXHUAQ-UYAOXDASSA-N 434.521 2.447 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncc(Br)cn1 431914896 WOIILWPHSPTVGU-LRDDRELGSA-N 443.305 2.272 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 433552384 CSKVQOYTYUSQAI-GCJKJVERSA-N 447.491 2.485 30 10 IEEE COc1cc(OC)cc(N2C[C@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2=O)c1 461290862 IZTKEFKKNZAKKM-OAHLLOKOSA-N 432.440 2.148 30 10 IEEE CCOc1ccccc1C(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 473941129 AECDDYVVZFGSHP-GOSISDBHSA-N 438.509 2.227 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(F)cccc2CC)c1=O 478761642 NHSZBGGAWBYQJM-UHFFFAOYSA-N 425.529 2.359 30 10 IEEE COc1ccc(N2C(=O)C[C@@H](N3CCN(c4cc(C#N)ccn4)CC3)C2=O)cc1Cl 493547643 DKQBLDRLGYNYSD-QGZVFWFLSA-N 425.876 2.069 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 503727515 NKZUTRNMUNQOGP-JOCHJYFZSA-N 449.580 2.216 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508702880 YGRKZOSURAGAJK-KRWDZBQOSA-N 439.520 2.172 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 508841061 OIWAWFFGNIRJBO-KRWDZBQOSA-N 437.548 2.018 30 10 IEEE CN1CCN(C(=O)CC2CCN(C(=O)NCCSCc3ccccc3C#N)CC2)CC1 524497334 UTKQHAYEHUNPFC-UHFFFAOYSA-N 443.617 2.377 30 10 IEEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCC1 544749495 DPKYSJXCVVUELZ-UHFFFAOYSA-N 425.576 2.365 30 10 IEEE N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 561342380 NBJNTLHYXGRTII-GJZGRUSLSA-N 431.901 2.409 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)CC1 569943528 DJFQPSKLHFDNRD-LJQANCHMSA-N 444.967 2.202 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 578455629 RJNVBFHRJDBTCA-VQTJNVASSA-N 445.589 2.489 30 10 IEEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NC2CC2)CC1 581613839 YAQQZDXICGOJIT-UHFFFAOYSA-N 433.560 2.414 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)n(-c2ccc(C#N)cc2)n1 585760483 UFBBMIBFHBEOTE-QGZVFWFLSA-N 441.557 2.306 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc(Br)cn2)cc1 604547561 FZFXMOVEOUUKNM-HNNXBMFYSA-N 434.319 2.448 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](Cc3ccncc3)C2)CC1 613178426 GWPOCGVRQWFDQG-LJQANCHMSA-N 446.511 2.414 30 10 IEEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC(NC(=O)CC3CCCC3)CC2)C1=O 731352798 SJNWQASXIWGJCI-UHFFFAOYSA-N 437.544 2.441 30 10 IEEE Cc1ccc(-n2ncc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2C(F)(F)F)cc1 731862369 FATLMDDNWYXDRL-MNDPQUGUSA-N 433.390 2.456 30 10 IEEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742091621 WBDKXHTZKTVLNU-IFXJQAMLSA-N 445.589 2.238 30 10 IEEE Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1C 742249934 CKVAEFJEZVFOKE-YGCDDZCOSA-N 428.514 2.060 30 10 IEEE C[C@@]1(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CCCN(C(=O)c2ccccc2)C1 744007309 FPIYYXPOPWKCOS-JOCHJYFZSA-N 425.510 2.447 30 10 IEEE CN(Cc1cnn(C)c1)C(=O)CON=C(N)c1ccc(COc2ccccc2F)cc1 747831765 HFSBAHFNYBIRCK-UHFFFAOYSA-N 425.464 2.434 30 10 IEEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(CCc4ccccn4)c3=O)cc2s1 755049938 ZEZBQCDEOWJWDA-UHFFFAOYSA-N 429.530 2.492 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 756896591 QZWZTVDROLKXRE-BHYGNILZSA-N 432.546 2.157 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC(=O)N2C)cc1 757601134 VQORDKXLHOOZGL-DLVXIWMQSA-N 442.516 2.090 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 763621317 BKGLGOGYEAFESM-JOCHJYFZSA-N 447.557 2.214 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 764038301 SACJQBXQVISDMM-OAHLLOKOSA-N 432.502 2.194 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 764443755 DOVSNSUKEUVYHI-JKJUUDSJSA-N 425.485 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 769195813 CMDIDHACSOUKNY-HQMFNGAOSA-N 440.500 2.164 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)c1 772310658 HYOYOLUMKQYWNO-ZDUSSCGKSA-N 430.327 2.044 30 10 IEEE CCc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)cc1 786687477 HIVUPLVECOAGPP-SFHVURJKSA-N 449.598 2.284 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CCCN1C(=O)OC(C)(C)C 790690570 QJXWTBBVTGHNFU-VXKWHMMOSA-N 434.537 2.169 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3c[nH]ccc3=NC(=O)OC(C)(C)C)CC2)c1C#N 793442995 KNKLMINGXSXKLC-UHFFFAOYSA-N 428.518 2.450 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(F)cc1Cl 813730026 LDCSMWQTFHCVMW-GFCCVEGCSA-N 439.852 2.374 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)Nc3ccccn3)n[nH]2)cc(OC)c1OC 1084291422 HXVHXFFCLFPPOJ-UHFFFAOYSA-N 443.489 2.402 30 10 IEEE O=C(CCSc1n[nH]c(NN=Cc2cccc(O)c2)n1)NCc1ccc2c(c1)OCO2 1084543510 GBAVNURIGJFASM-UHFFFAOYSA-N 440.485 2.484 30 10 IEEE C#CCOc1ccccc1CNC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1126167969 BEYNPWCRFLNECE-UHFFFAOYSA-N 428.448 2.158 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1129914555 WIFWBNCWRXZQOQ-IBGZPJMESA-N 426.454 2.209 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C34CCC(CC3)N4C(=O)OC(C)(C)C)CC2)c1C#N 1138262356 DYXBSQPOERRPLL-UHFFFAOYSA-N 428.537 2.181 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1)C(=O)OC 1161364429 CGYHIJNMYKAPSO-HOTGVXAUSA-N 437.290 2.231 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 1170943237 QHDQREIHWQVFIZ-WIYYLYMNSA-N 425.554 2.096 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN[C@@H](CCO)c2cccc(OC(F)(F)F)c2)nc1 1171502472 YLJOLFDKLLQJCP-INIZCTEOSA-N 429.420 2.339 30 10 IEEE C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1214077542 BZDONLJYMMMERJ-LLVKDONJSA-N 432.315 2.387 30 10 IEEE C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1251436465 FPTHILAJQMCSRN-MRXNPFEDSA-N 432.521 2.240 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1286321743 AIIFVGGDAJOIRK-IBGZPJMESA-N 442.585 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](OC)C(F)(F)F 1286414900 DUNXVEGFKSSEEJ-HNNXBMFYSA-N 439.463 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCCO)CC1 1286491318 MZNAIALCNPAXCC-UHFFFAOYSA-N 427.524 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286492492 GWKQGSXRMUCAHO-LJQANCHMSA-N 442.608 2.091 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1286510565 WZVRBVZBMMMYKB-IBGZPJMESA-N 427.574 2.053 30 10 IEEE C=C(Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1286619189 NTJWUGIXXWCJHI-QHCPKHFHSA-N 425.533 2.358 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286706524 PDXBYSVVDQOGSN-LJQANCHMSA-N 442.568 2.157 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NC)c2)C1 1286812747 SFOYUEYTISBJSY-OAQYLSRUSA-N 432.528 2.453 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cs1 1290435450 QSLRTMUAQOBJJS-QGZVFWFLSA-N 443.577 2.011 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1297759149 BGEZORPZPJKASN-CVEARBPZSA-N 448.618 2.476 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C#N)o1 1299211719 FXZPHQJYPBXFHD-UHFFFAOYSA-N 430.472 2.216 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1299376143 CXRPKQSMTMSWAH-JOCHJYFZSA-N 425.489 2.012 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Nc2cccnn2)CC1 1300428301 CHMRXTLCQKLMAB-PXNSSMCTSA-N 425.537 2.286 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCC 1300538715 UTJUJBHOMPTSJL-IBGZPJMESA-N 445.564 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1300718765 XAGYQVCTRVVROL-SFHVURJKSA-N 445.571 2.265 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 1300745034 CSWHUPQTIXNSGI-UHFFFAOYSA-N 439.545 2.249 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1300817208 CPUAJYUYLUBOBY-JTUHZDRVSA-N 439.564 2.342 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1301297753 UWKWEGIKKFBDQL-SFHVURJKSA-N 437.541 2.005 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1301428964 KJGPEWOWXYUGSK-HDICACEKSA-N 445.568 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1301596636 UQIPEYFJUCWKFM-MBOZVWFJSA-N 426.583 2.156 30 10 IEEE CC/C=C/Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1306482268 UWFDFVJBSMMSOB-MTGFJVSHSA-N 440.573 2.345 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1315878164 CXDDYCMYRWMJDD-GOSISDBHSA-N 448.531 2.223 30 10 IEEE Cc1ccc(C#N)cc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1353533451 FVYRRZIYQGVLSN-UHFFFAOYSA-N 428.470 2.141 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)c1OC 1358417308 RBNARJIKOLKJOT-OALUTQOASA-N 439.468 2.422 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1358870139 GMBNPYJPCNCBOL-RCCFBDPRSA-N 439.564 2.271 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1358891093 ZGYYOHCBHYTUSM-FUHWJXTLSA-N 438.557 2.087 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(O)CCCCC2)c1 1358902339 KYQLVKXXEFKWRQ-UHFFFAOYSA-N 447.543 2.430 30 10 IEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1358910702 YFLDZDXQYCCMSS-UHFFFAOYSA-N 447.543 2.366 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358915184 VFEYDLIYFUYMFF-HXUWFJFHSA-N 446.559 2.465 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)NCC#C)CC1 1358924781 IKLLZTYBMRWRPP-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358941979 DZVSQCJFBDHRAN-HZPDHXFCSA-N 447.630 2.482 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Cl)cn2)CC1 1359031666 KXBLHLNYWCWOPJ-UHFFFAOYSA-N 440.895 2.159 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359055274 YMNIWQRYRUREEU-INIZCTEOSA-N 442.618 2.385 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359068284 UZOUXJHDMDWWRI-XMSQKQJNSA-N 438.557 2.090 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCOC(C)(C)C 1359091429 NHEUCLWXBWBTMR-BBWFWOEESA-N 443.614 2.121 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1359132361 VOVKQXOMVFAKGN-VQTJNVASSA-N 441.532 2.408 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359224571 WKHIBFHQZFLRDH-HSZRJFAPSA-N 438.532 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(C)(OC)C1 1359327757 JYRLFDIZMGSXEW-UHFFFAOYSA-N 442.545 2.161 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCC1 1360907409 FNNISULOOHROSM-AWEZNQCLSA-N 431.566 2.200 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 1440580612 AKEGPOUQGIISKB-KRWDZBQOSA-N 448.545 2.402 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 1452424756 YBTPAWVGIIROGF-HKUYNNGSSA-N 440.500 2.492 30 10 IEEE Cc1nc(=NC(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 1456838954 SVQYJKVJMAQWOS-WMZOPIPTSA-N 425.489 2.335 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc1Br 1463958717 CKXJWNGPBWUEJL-OAHLLOKOSA-N 428.352 2.196 30 10 IEEE COc1cc(CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc(OC)c1OC 1471460201 MAGGUVNIHGHSCQ-UHFFFAOYSA-N 431.518 2.068 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)C1 1505314687 IRLATVHPPLSXHU-PXAZEXFGSA-N 425.390 2.275 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507635539 SURWMKDMUKMCQR-ROUUACIJSA-N 448.614 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCC(=O)NCc1ccccc1 1507656873 NMZNKFYUCZPWHA-UHFFFAOYSA-N 432.553 2.413 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1507712991 VNNXMUNVUAKUAB-WMZOPIPTSA-N 449.515 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1507743088 YVSQCVWYABZYMQ-UHFFFAOYSA-N 446.596 2.309 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS(=O)(=O)C1 1507806352 HKQXSYLVSYCFPQ-MRXNPFEDSA-N 425.599 2.424 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507811556 SBOJUCBGODKIBU-DXIQSLLYSA-N 433.597 2.485 30 10 IEEE C=C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507880150 WCTNMGVLBBGNHA-QGZVFWFLSA-N 431.562 2.392 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)CC1 1508105708 SVQJNOXYKSMNGJ-FQEVSTJZSA-N 425.533 2.454 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cc(C)nn1C 1513024720 FKTDCPGLNCGCKF-RDJZCZTQSA-N 434.552 2.259 30 10 IEEE CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1514015574 AJWBEUKOJGPJDP-OGWMBBJDSA-N 435.532 2.415 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1515673624 GHLIDYIYPBEIDD-HXUWFJFHSA-N 441.532 2.276 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1517361826 AAHCTGVJHPFECT-JKSUJKDBSA-N 449.353 2.326 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1517514015 LDCLBSRMUYIACN-IMFGXOCKSA-N 438.532 2.116 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1518754524 YINIAIZTGBUDIP-OAQYLSRUSA-N 442.539 2.350 30 10 IEEE COCCn1cc(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)cn1 1519194018 WHNDNRRIIBFSDC-UHFFFAOYSA-N 449.563 2.060 30 10 IEEE N#Cc1cc(Cl)ncc1NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc1ccccc1 1520005029 ZBTSKDCFJYBNKE-MRXNPFEDSA-N 427.892 2.318 30 10 IEEE N#CCc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1529870076 HGGSKHAFGPKYMO-LJQANCHMSA-N 428.470 2.130 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCn2ccnn2)c1 1539040564 WTXKFEOUXNEYMM-UHFFFAOYSA-N 429.488 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1nncn1-c1ccccc1 1539290148 BREHONHYPNQPKJ-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H](C)CN1CCOCC1 1539337024 JEFDOXHMIIZPJI-HXUWFJFHSA-N 439.535 2.427 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1nc2c(s1)CCCC2 1539409045 MKKCYZRIGSYFAL-UHFFFAOYSA-N 425.562 2.343 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1539645351 MUUXRNMUNLAHAW-TUFLPTIASA-N 447.580 2.042 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)N2CCOCC2)CC1 1539839826 FEQRFNROGGLFQW-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1540095174 XVRPRCZBVMPTJD-XOBRGWDASA-N 437.566 2.161 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCN(C)C1 1540133176 CRPDDIDOBZVPDT-QFIPXVFZSA-N 425.512 2.077 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CN(C3CC3)C2=O)CCOC1 1541714536 WRDWNWMJDLRBBX-URZJWIJPSA-N 430.553 2.068 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccsc2)CCOC1 1541732789 HKLJTSUPOAIZLB-JRGCBEDISA-N 447.561 2.017 30 10 IEEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 1554367429 TZKPUTYYHXQABO-UHFFFAOYSA-N 425.294 2.482 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1555049604 ODNDZCMHEUJTGA-FQEVSTJZSA-N 432.550 2.023 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC2CC2)C1 1555985511 PZGAHAWKBPCUIR-SFHVURJKSA-N 438.916 2.260 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)C1CCN(S(=O)(=O)NC)CC1 1556967728 NNVJKRCYRMWUEK-UHFFFAOYSA-N 432.340 2.129 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1587702289 SLCBETGBDFPTNI-KRWDZBQOSA-N 442.951 2.367 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCS(=O)(=O)C1 1587974831 BSAVVGRDERWPGB-MRXNPFEDSA-N 425.514 2.494 30 10 IEEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1587999291 TTXIPBMLFHIZIR-OAQYLSRUSA-N 430.512 2.499 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCOC1 1588605140 ZVOPGSDBAJGQHY-LJQANCHMSA-N 425.316 2.489 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Sc2ccccc2)CC1 1588864217 AJFNJIXFDBUBBL-IBGZPJMESA-N 438.601 2.337 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)C)CC1 1589381572 GECKPDKLIPHHEE-UHFFFAOYSA-N 437.342 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CC(N)=O)C1 1589582153 ZDWKHJIYEMBKSH-JOTVOLILSA-N 447.580 2.075 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccs2)CC1 1593763354 HQVLMMYFORZDLB-UHFFFAOYSA-N 444.605 2.377 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCNS(C)(=O)=O 1595116100 PBNNFXDJSMHERZ-UHFFFAOYSA-N 426.546 2.390 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C)s1 1595823121 KRKGNLYSMHEFHX-UHFFFAOYSA-N 437.591 2.008 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CCO2)c1 1598448555 JNXUPXLIMIKOMM-AEFFLSMTSA-N 431.539 2.059 30 10 IEEE C[C@@H](Sc1nc(CC(=O)Nc2ccc(Br)c(C#N)n2)cs1)C(N)=O 1610905689 FKCMSNUSZAFZAU-SSDOTTSWSA-N 426.321 2.319 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)c(=O)c1C#N 1611230509 BZGSVUNDIWYJSS-HNNXBMFYSA-N 443.301 2.218 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1614868961 OJAOROTZCBONNJ-VIZSFHNOSA-N 446.596 2.312 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1615094949 KOSTWSNABNQIFC-HXUWFJFHSA-N 447.547 2.345 30 10 IEEE C=CCN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1616306074 UDYOAQGKNNYVER-QZTJIDSGSA-N 425.572 2.096 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1617115624 NVJAFGLYEMDCMB-JOCHJYFZSA-N 440.504 2.186 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1619008344 ZEIWMMLGNBFTOO-CVDCTZTESA-N 438.532 2.116 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccccn2)cs1 1627801616 XQGGTHDOHBWVNB-ZDUSSCGKSA-N 427.511 2.060 30 10 IEEE C[C@](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)(C(N)=O)c1ccccc1 1629971903 KVDWJMZFYUFXBV-HXUWFJFHSA-N 427.302 2.274 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 1633828220 MVTWJUWJZZRYPI-UHFFFAOYSA-N 447.469 2.213 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H]1CCC[C@@H]1C#N 1635419680 VYVRLDPHOBIYCO-AEFFLSMTSA-N 433.530 2.009 30 10 IEEE C#C[C@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1636622867 MBWNHAUEBDUKEO-GOSISDBHSA-N 430.526 2.008 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1637726926 LRLHVEURKQSQDQ-INIZCTEOSA-N 439.306 2.428 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(C)[C@H]3CCC[C@@H]3C#N)CC2=O)cc1 1643437904 HQXILFXILNMJDY-HLIPFELVSA-N 446.573 2.221 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1649659755 DYIBEZLVWYYEMK-UHFFFAOYSA-N 446.559 2.316 30 10 IEEE C=CC(C)(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1667040109 OZSNIZSLHKBBBA-INIZCTEOSA-N 443.591 2.266 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 1671751402 WDEVDIOWAXNESB-UHFFFAOYSA-N 430.324 2.384 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)cc2)n1 1672766415 MOKUFIYDZXWJNV-HSZRJFAPSA-N 436.560 2.481 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689979805 HQSQFKVHRXWYPD-LZNRXBQRSA-N 430.574 2.326 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1690175047 OXZYYALZOGDAIG-CQSZACIVSA-N 439.994 2.231 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1690204975 XJMMRIMZXNNKLY-SIKLNZKXSA-N 428.558 2.367 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690227693 FFZHTGIVZPVNGI-IIDMSEBBSA-N 427.343 2.465 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1690288462 ZWEXAFFBWKLPDN-HOTGVXAUSA-N 445.536 2.059 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1690527279 MMKSBKWKJSHPHA-SFHVURJKSA-N 426.546 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1690667871 LCOQDSVHQGEARB-MSOLQXFVSA-N 441.580 2.107 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2COCCO2)C1 1690687531 CYPOUXKCESFYIL-PXNSSMCTSA-N 430.505 2.159 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1698494558 WVXXBVHCGNHOLP-MSOLQXFVSA-N 432.475 2.030 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705658508 RPEOQEUZIVWEST-INIZCTEOSA-N 438.561 2.281 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705673266 VBXAUEUZASAJBY-JXALWOEJSA-N 442.608 2.455 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1705729222 PQABBHCDAIJBBB-SLFFLAALSA-N 430.597 2.320 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705810033 LIVWXFJOFXXPJO-UHFFFAOYSA-N 431.610 2.484 30 10 IEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCOC2)C1 1705831927 IAONURNYEVVLRV-OAQYLSRUSA-N 431.562 2.479 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCc1n[nH]c(C)n1 1705868264 HHMDQVXZQMULOK-UHFFFAOYSA-N 426.550 2.324 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCC1 1705882456 XRULVXHWHCHOJC-UHFFFAOYSA-N 434.562 2.293 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1706169447 PUKFZXILMFHKIV-IAGOWNOFSA-N 434.541 2.206 30 10 IEEE CON(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1712656178 VCINARAXEKVMGA-BQOWYSNXSA-N 430.440 2.081 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1712664357 UONJRXUIOBBAHM-QGZVFWFLSA-N 436.463 2.082 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1722350565 CBZUNKZKGIITTD-OAHLLOKOSA-N 433.603 2.218 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC(c2ccccc2)C1 1722429318 PPODIFMMRSKYGN-VEDCXYSMSA-N 442.585 2.460 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1722438150 ZGKYNDWJHWAMPB-YADHBBJMSA-N 428.625 2.438 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(=O)N(C)Cc1ccccc1 1722475705 GMVCRVBEIHNWNR-XMMPIXPASA-N 434.544 2.051 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722511202 XRMRNXVBLRJSLC-NQIIRXRSSA-N 445.589 2.259 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1722595618 SAPYDELSHHIQAL-UHFFFAOYSA-N 433.578 2.462 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1722597018 PWGPRXGGLPFQMQ-AQNXPRMDSA-N 441.557 2.269 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccsc2)CC1 1722628044 RGXFHAORBNJDOL-GOSISDBHSA-N 430.578 2.206 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1722646233 FQBIHVIKXCKCGY-FOIQADDNSA-N 425.599 2.374 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722680098 WYBLGDBZCFOUCF-GOSISDBHSA-N 436.520 2.010 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1724473871 OKJYXEDIYFUYMZ-ZJYNUGOYSA-N 439.545 2.117 30 10 IEEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1727705729 AUHMNASFGDVDOQ-TVFCKZIOSA-N 438.598 2.033 30 10 IEEE CCO[C@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2ccc(C#N)o2)CCOC1 1728773313 TVRPNMCAMOPDNE-JOCHJYFZSA-N 445.520 2.278 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(F)cc1 1730762409 FZOGZMUAYPELKB-WMZOPIPTSA-N 449.552 2.489 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740575498 OLEXAGUJRAAPTM-HTAPYJJXSA-N 428.537 2.138 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1C 1740650470 BKQRYLWSMWGXFY-UYAOXDASSA-N 430.516 2.056 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740875507 DYPCDRLSSNHVJJ-RTBURBONSA-N 430.597 2.318 30 10 IEEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1740904793 XYGBJYWFZZZIDQ-FMQUCBEESA-N 426.452 2.145 30 10 IEEE C[C@@H](c1ccccc1)N(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1741786883 QBTMZSONYNQHBA-JDAKFOBDSA-N 446.515 2.402 30 10 IEEE CCOc1ncccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](F)(C#N)C1 1746892993 HQHNBLIUUCGUKA-OAQYLSRUSA-N 429.500 2.480 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1748765833 VZPDVVRGWIZPSG-ZJOUEHCJSA-N 432.565 2.437 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1748801510 BIBLHEIYXOKSTI-KRWDZBQOSA-N 430.578 2.100 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCn1c(C)nc2ccccc21 1748856296 XZZSMPXATCEIAF-UHFFFAOYSA-N 429.528 2.222 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nc(C)c(C)s2)CC1 1748976804 AQGATOPOUPUXBF-KRWDZBQOSA-N 432.594 2.073 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCSC2(C)C)CC1 1748978236 IUENMXWNAVBGQK-XMSQKQJNSA-N 433.622 2.217 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(COC)c2)CC1 1748994432 GWLYICSGSHRMEC-UHFFFAOYSA-N 433.560 2.090 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C(=O)NCC)CC1 1748999492 YAQDECQHZUFVLK-UHFFFAOYSA-N 438.576 2.083 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1749127649 NNTBVUMCYFAMMU-HKUYNNGSSA-N 425.537 2.091 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749246475 CQCVEOJFDASXSE-MRXNPFEDSA-N 430.944 2.162 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)CC1 1749286095 FGLVVIPLLCGAEH-CYBMUJFWSA-N 439.611 2.242 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)[C@H](C)C1 1749659087 UJTKUHIFITVPSO-HUUCEWRRSA-N 442.589 2.101 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCc1cnccn1 1749677095 MTOXTLDDLJZYLR-UHFFFAOYSA-N 430.516 2.052 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CCN(C)C(=O)OC(C)(C)C 1750920294 FGPZDDBIWMNQFV-UHFFFAOYSA-N 433.557 2.413 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCSC1 1751252195 HJQWWUOYVRSWSR-NQYLQCIDSA-N 433.509 2.154 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760187138 UDOGNMRBBZPPGH-HXUWFJFHSA-N 442.585 2.109 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC(=O)N1CCOCC1 1760194850 RRPXLHGHSVZTJL-NRFANRHFSA-N 449.555 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OC(F)(F)F 1760206882 PWCVUYOLJOIQDO-UHFFFAOYSA-N 431.418 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H]1OC 1760214964 JXWXPCZMNSKNIZ-FPOVZHCZSA-N 430.516 2.199 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1760229794 GBAHFIMKXQPBEU-UHFFFAOYSA-N 425.411 2.100 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1760258132 PXLLOYBPMLAXEE-GOSISDBHSA-N 441.580 2.200 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOC1=O 1760331552 KUAPUTIEXAAHQZ-UHFFFAOYSA-N 437.508 2.166 30 10 IEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCOC)CC1 1760370024 FILWFAWAXDVFGR-UHFFFAOYSA-N 447.923 2.405 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1760495530 QMJOHQBBHBYPGY-IBGZPJMESA-N 443.573 2.017 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1760525176 XBVQBTXBBINFQO-UHFFFAOYSA-N 444.967 2.272 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 1760542990 PGTJKJQOBFXVRL-WOJBJXKFSA-N 425.533 2.222 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(Cl)cn2)C1 1760548144 ZDHFEJDVTONABE-SZMVWBNQSA-N 436.944 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2ccccc2CC1 1760557043 YILQVUFONNNSMO-UHFFFAOYSA-N 437.569 2.470 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760713077 IUBYHVLDACPPND-IRXDYDNUSA-N 438.488 2.093 30 10 IEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)c(=O)n1C 1761782438 SGOIPKYWWUVCOG-UHFFFAOYSA-N 447.543 2.223 30 10 IEEE Cc1nnc(N2CCC[C@H](CN3CCCC[C@@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762584533 YVQQSDFZFRQFBE-VAIHUBBGSA-N 441.580 2.204 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1765651005 HBYSRXKNQBKCTA-UHFFFAOYSA-N 430.516 2.420 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H](C)C#N 1766726383 CGFOCFDXWXXEQZ-OAHLLOKOSA-N 443.533 2.135 30 10 IEEE COCCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1771236667 LJNMLEZKXGQGMO-HXUWFJFHSA-N 434.500 2.066 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1772863677 UEQWIUFRUIJLNI-WOJBJXKFSA-N 449.559 2.228 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 1850731751 OJQQFSDBFLHEQF-NRFANRHFSA-N 443.511 2.463 30 10 IEEE CCc1ccc(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1 1852372671 DLKTXVKDUNMWOO-INIZCTEOSA-N 439.541 2.430 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)C(C)(C)C2=O)CC1=O 1856366549 UIARCKJGRVAWRI-MRXNPFEDSA-N 431.920 2.007 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862754510 MRRWQAKAFQCFAF-GTNSWQLSSA-N 427.369 2.462 30 10 IEEE C#CCOc1cn(CCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870561977 LNAVTASXUWCGBC-UHFFFAOYSA-N 439.556 2.354 30 10 IEEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873170174 QFTULPYBOUCJBZ-UHFFFAOYSA-N 434.540 2.282 30 10 IEEE COc1cc(C)ccc1O[C@@H](C)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890261911 UCIXWRKZMRDYOG-NRFANRHFSA-N 443.588 2.029 30 10 IEEE Cc1c(Br)cc(C(=O)N2CCC(COc3nccnc3C#N)CC2)c(=O)n1C 1891216239 SAPONJJQUAEFCI-UHFFFAOYSA-N 446.305 2.049 30 10 IEEE Cc1nc(I)c(NC(=O)[C@@H](C)C#N)c(I)n1 1984094245 LTLBOAKMYDHEEG-BYPYZUCNSA-N 441.998 2.092 30 10 IEEE C=CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)C(=O)OC(C)(C)C 1985007933 SASDRXFTKAUUDZ-HZPDHXFCSA-N 427.542 2.144 30 10 IEEE C=C(I)CN1CCOC[C@]12COCCN(C(=O)OC(C)(C)C)C2 1992154019 UWWZMSDRSIRTIL-INIZCTEOSA-N 438.306 2.273 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060633701 QLHOUCHEDFBHGH-TWJGEFDFSA-N 436.358 2.157 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2083616531 AFCGWXVIKXCIBY-OFVILXPXSA-N 440.588 2.370 30 10 IEEE CC[C@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243369317 BLKJFMDHVBVXPZ-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2248437968 SAFXDOCTMHHAEQ-IBGZPJMESA-N 439.343 2.065 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCO1 2255379502 MWHDPXOTSSPJRO-CVEARBPZSA-N 433.358 2.499 30 10 IEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627482 UCWCZFXYBCCAAP-OAQYLSRUSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2255874955 PAHQUKORBASBAM-FPTDNZKUSA-N 429.326 2.120 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267143336 GUGVNSBOOVBSBA-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CN(Cc1nc(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2267188622 OUTMKCHRWRIMQF-UHFFFAOYSA-N 447.301 2.316 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)c1cnn(Cc2ccccc2)c1 2267493275 HIRDHFUKGYUWCS-MRXNPFEDSA-N 435.337 2.455 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2268639963 SUNUSQRAIHIVFP-INIZCTEOSA-N 444.341 2.001 30 10 IEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271390953 XOGSGPXTWRINTE-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)B1OC(C)(C)C(C)(C)O1 2303681290 ABAKNHPOKMVREQ-HUUCEWRRSA-N 448.366 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](O)C#Cc1ccc(Br)cc1 2313858614 ILHZBMQAJHJACK-LSDHHAIUSA-N 432.336 2.099 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2337202697 NHAIGZGQGVNPPS-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE C[C@@H](C#CC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O)NC(=O)OC(C)(C)C 2366865651 MGWIKXLEAYFOFG-WFASDCNBSA-N 439.306 2.478 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N(CCC(N)=O)Cc1ccccc1 10673729 BGTOTRAIXNRGLI-UHFFFAOYSA-N 434.452 2.311 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)c(C)c1 20527334 ZCEYNOITYRSQCA-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1cccs1 21325310 YPKJJLRHHPPMKA-SRZZPIQSSA-N 445.530 2.392 30 10 IEEE C=CCNC(=O)CCc1c(C)n(C)c2cc(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O 35448941 SEUKNSZJAUMPGL-UHFFFAOYSA-N 440.500 2.269 30 10 IEEE Cc1cc(N2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)n2ncnc2n1 108190233 WYVAAGCQVINMAG-UHFFFAOYSA-N 443.467 2.439 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 109943425 JGLJIIVLCQDBIY-LJQANCHMSA-N 448.504 2.475 30 10 IEEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCn3ccc(=O)[nH]c3=O)cc(C)c2c1 170576418 YCRMMFBLUJJRJF-UHFFFAOYSA-N 443.467 2.096 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 434042726 PRHNJGFYHDZGLH-NRFANRHFSA-N 436.959 2.453 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C#N)cc3)c2)C[C@H](C)O1 460269807 SYOWWHVNGZHRBR-IRXDYDNUSA-N 443.525 2.165 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1cccs1 460547102 WSDFSSBOVAGELK-KRWDZBQOSA-N 439.607 2.318 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)ccc1Cl 468691947 CVQNOLYFOSKABZ-UHFFFAOYSA-N 441.918 2.033 30 10 IEEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 473300618 MJCYBBWOLANJSX-IBGZPJMESA-N 449.511 2.304 30 10 IEEE C=CCc1ccc(OCC(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c(OC)c1 473714553 LYRVEJSCMCMLSW-XMSQKQJNSA-N 438.480 2.346 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3CN3CCC(O)CC3)cc2C1=O 479960521 HNSOVGVFYVHZAA-UHFFFAOYSA-N 433.508 2.355 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC3CC(N4CCCCC4)C3)ccc21 485025310 BCMVFHLZXZDFPB-UHFFFAOYSA-N 437.544 2.341 30 10 IEEE CNC(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1Br 494337067 XSDQCAAAQKBZAQ-UHFFFAOYSA-N 443.305 2.429 30 10 IEEE Cc1ccccc1CN1CCC(NC(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 506897631 OLOLTKDWVQSMHG-UHFFFAOYSA-N 432.572 2.165 30 10 IEEE Cc1cccc(NC(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1C 513784538 TYMCVDHXHCOWLD-UHFFFAOYSA-N 440.569 2.205 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)cc1 518015213 NOJPTDDKPWIFFA-UHFFFAOYSA-N 435.452 2.185 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCOC1 533085871 DMWPPBHGBFERRU-CQSZACIVSA-N 430.476 2.097 30 10 IEEE COc1ccc([C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)N(C)C)cc1OC 546220691 STPWQFRIPFUBIO-LJQANCHMSA-N 438.532 2.105 30 10 IEEE C[C@@H]1CN(Cc2csc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)C[C@@H](C)O1 546916606 GZKJWSZTYGGNBG-HZPDHXFCSA-N 441.561 2.373 30 10 IEEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NCc2ccc(C#N)c(OC)c2)C1=O 555168545 SDQLQHDAVNQXQX-OAHLLOKOSA-N 428.470 2.020 30 10 IEEE CCOC(=O)c1nc(NC(=O)N2CCN(c3ncccc3C#N)CC2)sc1C(C)=O 556091641 JCEJUFGUCZSLTO-UHFFFAOYSA-N 428.474 2.143 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(C#N)n2)CC1 559002917 RQCHYSDGSIORBJ-UHFFFAOYSA-N 448.556 2.439 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3CC3CCC3)CC2)cc1 567155680 VWFANZDKANJXGA-FQEVSTJZSA-N 431.558 2.377 30 10 IEEE C[C@@H]1CN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)C[C@@H](C)O1 585673932 ZMBMHWWDEXGUJZ-JWBMCXPMSA-N 448.479 2.271 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)ccc1F 609220074 AZNITLWNKJDTHE-UHFFFAOYSA-N 446.507 2.246 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)nc1 609640303 AMPXHUHKKOKHKA-UHFFFAOYSA-N 430.486 2.014 30 10 IEEE CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1cccc(S(N)(=O)=O)c1 735975991 HDMMVAVARBWEIM-UHFFFAOYSA-N 436.419 2.463 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2ccc(=O)c3ccccc32)c1 742336171 JRTULOANRRUFGK-FLFQWRMESA-N 438.509 2.453 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)c1coc(S(=O)(=O)N(C)C)c1 756669911 WWLIZDGILGAGAU-UHFFFAOYSA-N 429.248 2.392 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 766989042 UXGDNEZUSPBHQF-UHFFFAOYSA-N 449.488 2.469 30 10 IEEE C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 769858113 HWSIKLHDNFHOAZ-SECBINFHSA-N 437.474 2.079 30 10 IEEE COC(=O)C1=C(C(=O)c2ccncc2)[C@@H](c2cc(-n3ccnc3)cs2)NC(=S)N1 783941346 VVZMWAPKONZIBB-OAHLLOKOSA-N 425.495 2.158 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCSc1ccc([N+](=O)[O-])cc1 784936117 OGAPKZLQHIAMEW-ZDUSSCGKSA-N 435.483 2.469 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2ccc(F)cn2)C1=O 790749958 LCKNXRKVHFFSPG-INIZCTEOSA-N 435.550 2.482 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNCc1c(F)ccc(I)c1F 792979264 HLJPNVJIYBSEJB-CCEZHUSRSA-N 433.196 2.185 30 10 IEEE C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 795967408 WBSAXLYTHUFNFR-HNNXBMFYSA-N 442.497 2.312 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 809896240 ISIGNAAAYZYFEF-CVEARBPZSA-N 444.540 2.243 30 10 IEEE CCc1noc(C[C@]2(O)CCCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)n1 856673536 BZEOORFOKRPXSL-KSFYIVLOSA-N 429.496 2.476 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 916178301 QURSXRYITBQLFE-KRWDZBQOSA-N 426.498 2.448 30 10 IEEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN([C@H](C)c2ccccc2)C1 918756365 RDTZBOLTSDZYGZ-IEBWSBKVSA-N 440.569 2.409 30 10 IEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cn1 1084234659 PGGKODKSAGUBHX-UHFFFAOYSA-N 431.913 2.205 30 10 IEEE Cc1noc(COc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cn2)n1 1127911236 AKGJPQWMYVANCQ-GOSISDBHSA-N 432.440 2.149 30 10 IEEE C#CCN(CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)C(=O)OC(C)(C)C 1135213295 KPMGTVIIQMQQOC-UHFFFAOYSA-N 445.545 2.313 30 10 IEEE CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136357464 HJVWJKGNWZREBS-UHFFFAOYSA-N 433.461 2.476 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 1136630308 NCDHHRUQZNDKHO-GJZGRUSLSA-N 429.926 2.349 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141567242 JGHCPUGVSSSDDP-MAUKXSAKSA-N 442.495 2.427 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@H]2c2cnc(CC)nc2C3)s1 1152710201 IWJYRTJPJNGIJB-GUYCJALGSA-N 432.571 2.396 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)nn1 1160842311 XGTWWBAKFWXAEU-MOPGFXCFSA-N 440.504 2.072 30 10 IEEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1251337693 KPGDORMQBSLKTC-RTBURBONSA-N 431.496 2.492 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1286385900 QVNLRPYXWQLKIN-CVEARBPZSA-N 435.525 2.031 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1286411498 WJWBTECGVJMOCG-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC1CC1 1286420445 FPDOMKILSBVJOX-UHFFFAOYSA-N 441.513 2.141 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSC(C)C 1286462791 WDNHFXRFUBGMIG-UHFFFAOYSA-N 440.573 2.420 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1286477387 ZHXSPFSYEMUSAK-WOJBJXKFSA-N 436.608 2.247 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1286505376 YKGGPRUVZWJJBX-MRXNPFEDSA-N 446.964 2.324 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(C)=O)CC1 1286604824 WYADNFSFTMIMBP-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286627298 YAMYINWTTNFPAK-FQEVSTJZSA-N 429.912 2.216 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1286661681 KBTYIACCHZDGAS-UHFFFAOYSA-N 439.545 2.028 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccoc1C 1286791266 XDIJETLJHZKFBE-UHFFFAOYSA-N 428.518 2.110 30 10 IEEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1287234564 GFTYLJOCJYDIHL-SIKLNZKXSA-N 443.573 2.239 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1300282784 XTEGSBFFCJFVPF-UHFFFAOYSA-N 430.530 2.014 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1300306995 BCMPSRKNPSYYIR-QWHCGFSZSA-N 442.463 2.427 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300393314 DFCXELZTDHGNNW-UHFFFAOYSA-N 431.562 2.227 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1300408832 CTBOKNXRXHEXNJ-KRWDZBQOSA-N 437.591 2.031 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1300409078 PDBSWBMPAAAAQD-FCHUYYIVSA-N 444.624 2.164 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300485839 ZJSHYWNQJOIKDL-PMACEKPBSA-N 442.585 2.362 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1300813747 QHOQTAOVEJPVOK-HSZRJFAPSA-N 442.564 2.260 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1300870256 RQOJOQHNAOKVCP-IEBWSBKVSA-N 432.546 2.170 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300891602 ZTKFIAJGGWQAOD-QFBILLFUSA-N 425.599 2.120 30 10 IEEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1301043722 CCMFQNMKZDXJQL-INIZCTEOSA-N 434.006 2.106 30 10 IEEE C=C(Cl)Cn1c(COCC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1301054918 BNALOKAOZXVWLP-UHFFFAOYSA-N 439.004 2.338 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301222884 IOLNDARDDBUICR-JKSUJKDBSA-N 437.591 2.489 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1301259133 DVQLYFRKEIVSNX-UHFFFAOYSA-N 430.528 2.452 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)(C)C)CC1 1301436077 LXZGKMLVPMLRGM-UHFFFAOYSA-N 432.594 2.302 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1301497769 CZSAWZJNCLADPZ-HNNXBMFYSA-N 443.939 2.361 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1301507140 XYPAUBVLISEFEW-UHFFFAOYSA-N 448.527 2.035 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1301524251 BKXLFEXXVXKPPJ-MBSDFSHPSA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)C1 1301554351 FIGFHIJFOICIIB-MOPGFXCFSA-N 425.533 2.286 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2)CC1 1301585547 MVYWKVRKSZBIMY-LJQANCHMSA-N 443.573 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1cc(-c2ccccc2)[nH]n1 1301596061 GKOSVIFWSLHVCR-UHFFFAOYSA-N 438.517 2.413 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1ccc(C)cc1 1301999580 GVCQGMRTMRBWQB-GOSISDBHSA-N 440.548 2.481 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1302098847 QYZCJCPLNKBCJS-WBVHZDCISA-N 443.504 2.286 30 10 IEEE CC(C)(C)c1ccc(CCNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1307345596 HGNUSLKWNREELF-UHFFFAOYSA-N 436.556 2.209 30 10 IEEE N#Cc1cccc(C2(NCC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCOCC2)c1 1307941133 MUHIPBPVGOJVML-UHFFFAOYSA-N 432.524 2.362 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC[C@H]1C 1315732586 CQSHFVASBOMRJB-HFXUHXBXSA-N 438.532 2.068 30 10 IEEE N#Cc1cscc1C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1350878684 WQUJPDZDALCZMR-UHFFFAOYSA-N 430.511 2.393 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1358914879 KMJITGCPPCHSCE-UHFFFAOYSA-N 449.603 2.202 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358936734 WLCKVROSFPWXAM-DYESRHJHSA-N 430.509 2.001 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358959305 GHOBAWCNHQLWPM-IAGOWNOFSA-N 447.948 2.313 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358961976 HXGJQPPWFCVJNN-AZUAARDMSA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962259 MZLNSFUOBRXIQC-LSDHHAIUSA-N 448.511 2.387 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1359033489 DKKJPQLZRVRFBS-UHFFFAOYSA-N 441.580 2.342 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 1359056571 HMZMYHFMRLQUFU-HNNXBMFYSA-N 440.541 2.461 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCCOC)C1 1359089611 LTPVRXHZLRWUAR-AABGKKOBSA-N 447.580 2.127 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359136789 UZOSLCPLBMALBF-INIZCTEOSA-N 438.525 2.212 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359224573 WKOPDKAIEDDNIE-FXAWDEMLSA-N 438.536 2.375 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1359255627 FLGRJZXQDMVXOW-HXOBKFHXSA-N 433.516 2.283 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1359268462 QYSBTNXCXUPYAS-OAQYLSRUSA-N 428.514 2.419 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnn(CC)c1 1359298028 KAKCEONQLDIHSN-UHFFFAOYSA-N 445.531 2.286 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCNc2ncccc2C#N)cc1 1442332991 DHGFAZKXNORXNS-SFHVURJKSA-N 425.514 2.095 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 1445092006 PAQNJQGCXVVYPC-MRXNPFEDSA-N 438.387 2.116 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c(Br)nc3n2CCCC3)[C@H](C#N)C1 1447476201 AMBFYIHMJHLRIF-VXGBXAGGSA-N 438.326 2.471 30 10 IEEE C#CCN(C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(C)C 1468815798 XLQFFGYHLOVBED-UHFFFAOYSA-N 437.562 2.158 30 10 IEEE COc1ccc([C@@H](CO)CNS(=O)(=O)c2cc(Br)ccc2C#N)cc1 1475375289 DQVCBRPIUQUEIK-CQSZACIVSA-N 425.304 2.384 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCC(C)C)CC2)c1C#N 1492727727 FBFUQOJRPUREND-GOSISDBHSA-N 426.569 2.458 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1499987802 BVALHPVLASHVKT-GJZGRUSLSA-N 429.525 2.297 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCO[C@@H]2CCOC2)cc1 1505315212 IXVFPSCGKXIDAK-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCCCC3)n2CCC(=O)N2CCOCC2)cc1 1505317644 AQJQGQJLJSCQAM-UHFFFAOYSA-N 438.532 2.358 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507536182 BQSWJOFWBVVEAE-GOSISDBHSA-N 432.528 2.237 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1507554546 SVEWOLRASFXFQW-UHFFFAOYSA-N 439.520 2.455 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1507572126 YUNSPGIUGJNOIK-UHFFFAOYSA-N 436.560 2.401 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2c(C)nn(C)c2C)CC1 1507727095 GRVDECLIZFFBSJ-UHFFFAOYSA-N 447.587 2.226 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507786684 CWGFTTAIEDYIBD-AWEZNQCLSA-N 442.383 2.432 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1507835422 AHUNHQGACKMKLZ-UHFFFAOYSA-N 447.971 2.384 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507843739 SLECADHAYCTVMR-CQSZACIVSA-N 429.443 2.170 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1507880397 IFCFCMUWXGKRRI-SJORKVTESA-N 433.582 2.127 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1514254819 IDIFZPGHNUXQDS-PMACEKPBSA-N 435.525 2.342 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1514275107 JILPEBQPYAIWEN-MZNJEOGPSA-N 449.559 2.086 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1516606789 BUWARMIPWXNQGZ-DLBZAZTESA-N 446.552 2.333 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1519356636 OMZYMHFHYGQZBT-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2cc(Br)ccc2-n2cnnn2)c1OC 1521193138 UAMPTHAOGKPISU-CQSZACIVSA-N 443.261 2.437 30 10 IEEE C#C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 1525054329 LRJNHQPLAUYLNE-AWEZNQCLSA-N 442.225 2.444 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)[C@@H](C#N)C1 1532607805 QSDWICPDPDRNID-NSHDSACASA-N 430.383 2.043 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)CC2=O)cc1 1536662407 CLBHRSRSJMLGJX-KNQAVFIVSA-N 432.480 2.470 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)NC 1538975793 DMQZMAURQQZGGD-CQSZACIVSA-N 444.586 2.384 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1539005097 PHGHTYBLIYIQDI-GOEBONIOSA-N 427.505 2.151 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539133907 LTJXJQRIKKIFDF-NRFANRHFSA-N 434.544 2.243 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 1539526831 QOLHJTDAQRIUSR-UHFFFAOYSA-N 439.545 2.152 30 10 IEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC2(CC2)C1 1539574516 MEWJXLRLAIVEFK-UHFFFAOYSA-N 433.310 2.451 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)CC1 1539890928 WBZJJAMTLVPDQB-MOPGFXCFSA-N 438.594 2.168 30 10 IEEE COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1540844384 QMLAXJIUYUNHII-NSHDSACASA-N 444.303 2.480 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCCC2)CC1 1554493569 DQNSUTWSWDGUPK-UHFFFAOYSA-N 436.564 2.154 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1B1OC(C)(C)C(C)(C)O1 1556082683 AFTMRUCMCWYWDA-IBGZPJMESA-N 425.338 2.290 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 1565345242 HFCXRNOXWYKFAN-NVXWUHKLSA-N 448.365 2.302 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 1565346424 PEIVZNVCBPFCOV-PMPSAXMXSA-N 432.487 2.429 30 10 IEEE Cn1ncc(I)c1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1585090673 MUWYAIWERHRRBP-UHFFFAOYSA-N 449.296 2.291 30 10 IEEE COCCn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 1585533811 DIUNKMCUUDETMV-GOSISDBHSA-N 432.322 2.315 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1588871975 UEMMEJYFBIBJHQ-UXHICEINSA-N 439.560 2.294 30 10 IEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)C1 1589036716 NJBUKDUKELYDPE-UHFFFAOYSA-N 429.546 2.044 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1589110053 OXMVYZHKRTWHDR-GOSISDBHSA-N 445.593 2.221 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1594667963 BMOOTMUUWJPHMD-HXUWFJFHSA-N 440.548 2.455 30 10 IEEE CN(C)[C@@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)COc2ccccc2C1 1595349700 JOUAGBPARKNQED-RUZDIDTESA-N 444.539 2.310 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC(C)(C)[C@H]1C 1595506827 NRCACDOKPVUASY-OAHLLOKOSA-N 429.521 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)C1 1595673883 KXLIEPYMEHLCHL-ZYSBOAIWSA-N 446.577 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC(N)=O)CC1 1595773148 ROVWGFSMVJLJRR-UHFFFAOYSA-N 445.589 2.200 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1596822700 MZSIQERKFVFXSR-GGPKGHCWSA-N 439.564 2.436 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 1598263002 NNOXSRGWELEILJ-HNNXBMFYSA-N 438.431 2.298 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)C1 1607582245 OJNZJRXFEKVYQE-SJORKVTESA-N 443.552 2.101 30 10 IEEE CC1(C#N)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1611773453 OBONSNUZZOIGRE-VQTJNVASSA-N 436.516 2.399 30 10 IEEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1611862657 DYMGIKLMQUPIKZ-UHFFFAOYSA-N 447.528 2.371 30 10 IEEE CO[C@@H](C)c1nc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cs1 1618927425 ANTADPQKODRJLS-YOEHRIQHSA-N 425.518 2.205 30 10 IEEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OCC 1624303691 LKRGEVKGCNCRFG-GOSISDBHSA-N 444.500 2.380 30 10 IEEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(N2CCOCC2)cc1 1642530317 SUBWEQKLNGULOG-KRWDZBQOSA-N 442.541 2.115 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C(F)F)C1 1643313797 TZRYCERTYGIGKJ-KRWDZBQOSA-N 433.455 2.472 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CS(=O)(=O)c1cccc(Br)c1)C2 1648291345 AUGBGHFFSBCRCB-UHFFFAOYSA-N 440.344 2.323 30 10 IEEE N=C1NC(=O)[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)S1 1653039792 VBLTVHPSDZTDGI-NGJCXOISSA-N 425.301 2.172 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(CCOc3cccc(C#N)c3)CC2)CC1 1654287978 NVNIKWQHKBUPHN-UHFFFAOYSA-N 443.548 2.227 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN1CCOc2c(Br)cc(C(=O)OC)cc2C1 1655916549 XCSKWXCWRJLELE-ZDUSSCGKSA-N 438.322 2.438 30 10 IEEE N#Cc1ncn(CCNC(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)n1 1672542239 JRQMNCUBKWLICC-UHFFFAOYSA-N 431.294 2.190 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC4(C#N)CCCCC4)CC3)C2=O)n(C)n1 1674485593 QHPZPHYGIXCPPM-IBGZPJMESA-N 441.580 2.025 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CO1 1684489968 JXGZOOBNLJGYPP-IBGZPJMESA-N 429.521 2.326 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1689972613 VKBCBQKLXVJWQE-OAQYLSRUSA-N 447.587 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1690017148 AEECGMZGMNLXJT-HXUWFJFHSA-N 437.519 2.269 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C1CC1 1690108347 VKQYMTWZQSITIY-WLENULPWSA-N 447.580 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2CCN(C(C)=O)CC2)CC1 1690136450 FNVGKMRHLXYYNW-KRWDZBQOSA-N 428.581 2.016 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690178914 ICKJQGZJSMDPBH-UHFFFAOYSA-N 431.525 2.165 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)CNC(=O)C2 1690509818 KAXXPTOHADARJL-UHFFFAOYSA-N 430.578 2.333 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C(C)(C)C)C1 1690711739 HMCRGLYGKNSORS-SFHVURJKSA-N 429.569 2.083 30 10 IEEE C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1693728783 GIOWAUSLQBRBKY-MCQGMECGSA-N 435.532 2.273 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1694120525 GSUYPBNZCOKYEN-IHPCNDPISA-N 439.564 2.436 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)C(F)(F)F 1697132789 PZIIXCBRXFXIBW-CZUORRHYSA-N 436.438 2.451 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)C1 1698099451 OARIUKAHBVEVAR-JKSUJKDBSA-N 428.537 2.456 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1698484653 ULXNEFNXSKINNE-UZLBHIALSA-N 435.454 2.138 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccccc1)N1CCOCC1 1705557405 UDEHEWAWBHZXGK-JOCHJYFZSA-N 433.560 2.283 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705575299 FXJOQWWOHTUSEL-OXQOHEQNSA-N 444.333 2.447 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705732702 AAJABORLKTZMSV-QHCPKHFHSA-N 441.532 2.414 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1705834605 OOCIFXMNCXMKRV-CQSZACIVSA-N 435.550 2.217 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705908564 CYTUBOIKSMYGIW-AJYBTWMASA-N 431.581 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCC)C1 1705925962 WMWSWOHVTFWVGT-RTBURBONSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705935484 SOXWCKXINNGLKH-XUVXKRRUSA-N 448.564 2.328 30 10 IEEE CC(=O)N1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CC1 1705967653 GLCDMNANYAUVJL-AWEZNQCLSA-N 427.509 2.003 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722335209 CNCBPPODTFQTIB-GOSISDBHSA-N 437.935 2.494 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCC(F)(F)F)nc1 1722342070 KAYRELVBGMHMNN-UHFFFAOYSA-N 445.405 2.379 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1722349945 HARABUODPCDDFE-UHFFFAOYSA-N 449.540 2.396 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1722362503 BIYXCDHBHHDKGB-NZSAHSFTSA-N 428.558 2.422 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722522848 HFFFOMNWMYCAHI-GOSISDBHSA-N 429.546 2.248 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722525560 CQMOABXHTMALAC-UYAOXDASSA-N 430.597 2.173 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1722550331 IFFZRZRDVOMSQP-QGZVFWFLSA-N 428.924 2.381 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722697736 OCRIITWIRZTZKI-IBGZPJMESA-N 440.454 2.498 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1722705308 WYWGDUYKOYNCGE-UHFFFAOYSA-N 445.589 2.315 30 10 IEEE C=CCOc1ccccc1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)C 1722707951 DWQRHXFZLIYYHM-UHFFFAOYSA-N 427.549 2.484 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1722729183 XUJYEBURWKHYLQ-DFQSSKMNSA-N 446.573 2.349 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1722866937 DLPQSGFSRMDDHZ-DOTOQJQBSA-N 440.529 2.479 30 10 IEEE CC(C)Cc1nnc(N2CCN(C)c3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723331661 UCZWYNPVFRIMRT-FCQUAONHSA-N 449.559 2.459 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cc2F)CCOC1 1723690202 IWIVKRXUMQBNAG-UTKZUKDTSA-N 433.459 2.374 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1729565558 WDOIZSSKODVNOY-UHFFFAOYSA-N 445.545 2.067 30 10 IEEE COc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCNC(C)=O)cc1 1730076620 APGNFRJDZLKHQG-UHFFFAOYSA-N 447.499 2.015 30 10 IEEE COC[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1730460251 AWMMVVUTYUDEFZ-BBWFWOEESA-N 434.541 2.361 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740594855 DFMYWYBVZZXOSX-UHFFFAOYSA-N 447.543 2.221 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740619781 PIPJSQCNDYHHAX-SFTDATJTSA-N 435.551 2.479 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740622043 SSVFOTDWBGGMJR-GOSISDBHSA-N 439.541 2.287 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2OC)CC1 1740958482 QFSALYIKDAXXGA-HXUWFJFHSA-N 440.548 2.157 30 10 IEEE CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1741474567 KUHWPHOBTIIEQK-JOCHJYFZSA-N 447.543 2.338 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)C1 1746540355 ASSGDLSYEMFPQL-SFHVURJKSA-N 432.550 2.042 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCO[C@@H](C)C1 1748772828 YZDHDZCRXWAKCF-RDJZCZTQSA-N 430.578 2.431 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCN(CC)CC1 1748790170 WIXSCSWSHLGZCR-SIKLNZKXSA-N 438.576 2.134 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748811500 IBXKNOASSCAWIV-KRWDZBQOSA-N 427.505 2.396 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ccc(OC)cc2)CC1 1748986601 CUPRRAJKYOXXNC-UHFFFAOYSA-N 432.528 2.491 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC2CC2)CC1 1749671734 HKDBESGNCGIQIS-UHFFFAOYSA-N 428.968 2.357 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ncc(Cl)n1C 1749724521 KQCKEMWXRFOTRI-UHFFFAOYSA-N 438.941 2.471 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1749733778 CAYLVSOUEQTPTB-PGRDOPGGSA-N 446.573 2.135 30 10 IEEE Cc1ncsc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1751357372 LHNOTEHSDHPIMO-CYBMUJFWSA-N 432.531 2.095 30 10 IEEE Cc1c(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cnn1CC(C)C 1751364883 QPDYLRWSSZGCOJ-INIZCTEOSA-N 434.552 2.173 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1760145515 QCSJYRJQXXPRQE-QLDGJZPUSA-N 449.621 2.476 30 10 IEEE C#CCN(c1nnc(C)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1760180661 IXRJBNFGGKXKSD-CQSZACIVSA-N 426.901 2.085 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1760200558 NJFWJJTVLKUCSC-GOSISDBHSA-N 437.548 2.399 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760204982 KGGSDRWINWRLMA-UHFFFAOYSA-N 427.549 2.377 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1760206994 TUBVNGDVHMBCQI-UHFFFAOYSA-N 433.556 2.010 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1ccc(OC)c(OC)c1OC 1760217091 OMOZWQVUALDKQW-UHFFFAOYSA-N 446.511 2.467 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCC(C)CC2)CC1 1760255614 LWHMFBFGXIBMIA-UHFFFAOYSA-N 437.548 2.340 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C)n(C)c2=O)CC1 1760263070 MQONHVIHCAAKJF-UHFFFAOYSA-N 444.583 2.264 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(CC)CCC)CC1 1760263186 QRUUWPGOYIHSJZ-UHFFFAOYSA-N 434.592 2.004 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760309743 GJPQVVWFSYARQS-CQSZACIVSA-N 442.383 2.432 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1760337924 ASGCWVOBSIQGBC-UHFFFAOYSA-N 440.592 2.444 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(CC)c1 1760529209 ZNRCFEZAJWYLMV-IEBWSBKVSA-N 429.569 2.352 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1760687257 HRYITEBXDIKALW-CQSZACIVSA-N 428.497 2.046 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCc1nc2ccccc2[nH]1 1761462804 ARYIFENQYUAYSE-GJZGRUSLSA-N 444.565 2.136 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCS(C)(=O)=O 1763772174 HOLPWIUJMLUKEU-GOSISDBHSA-N 444.605 2.420 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@](C)(O)CCC(C)C 1764919034 BDVGZVWWNXEBFC-VGSWGCGISA-N 426.569 2.404 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC#N 1766698736 BITOWVUHKNWFGJ-MRXNPFEDSA-N 429.550 2.227 30 10 IEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1767916306 CPTFSIOYADTRLZ-FQEVSTJZSA-N 437.500 2.463 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC(C)(C#N)CC1 1768433595 UOBLVYDPRMMZHD-RBUKOAKNSA-N 443.596 2.202 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1770711189 CFVXOSSUCYBOCB-SFHVURJKSA-N 431.562 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCN1CCOC[C@H]1C 1772516668 OIZJQNKBTDOAFS-LJQANCHMSA-N 425.508 2.180 30 10 IEEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CSC(C)(C)C(=O)N1 1849847902 QWCKZEAANJUEJN-MOPGFXCFSA-N 448.585 2.048 30 10 IEEE COc1ccc(-c2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)n[nH]2)cc1 1851259673 NVBFPMXYTSCKKH-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE CCc1ccccc1N1C[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1852747403 FUBVSGBVRFSXFP-OAQYLSRUSA-N 447.539 2.234 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)CC2)nc1 1852787400 VQFZZJDCXNCJIG-UHFFFAOYSA-N 447.451 2.316 30 10 IEEE CCCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1857027067 UPCSHPOPGGXEOB-FQEVSTJZSA-N 431.558 2.318 30 10 IEEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC(F)(F)F)CC1 1857288417 RNHHNDNBYURAJD-UHFFFAOYSA-N 429.420 2.369 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1862134254 HTMPYVFFBHRDBS-QGZVFWFLSA-N 425.576 2.110 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCCN1CCOCC1 1870480109 RKVBMCSXMCTLIA-UHFFFAOYSA-N 447.576 2.075 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509942 OTSUMLWQQTYWFN-UHFFFAOYSA-N 431.566 2.465 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871646474 FNOLRRROKGYFJB-UHFFFAOYSA-N 429.956 2.035 30 10 IEEE COC(=O)CSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(O)c(O)c1 1874290793 CSZPFDBKCCNJIQ-UFFVCSGVSA-N 444.469 2.424 30 10 IEEE COc1ccccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC(N)=O 1874295102 JSHWSQFJMDUUIR-SRZZPIQSSA-N 426.458 2.245 30 10 IEEE CN(C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539132 QSLNHZVYZRDORZ-QZTJIDSGSA-N 446.353 2.319 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141665992 RWAQJBUDPSELRM-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229096539 PSVWTNQYSRURSQ-JKSUJKDBSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905716 JQOPSKKLSGMXMX-FRRDWIJNSA-N 435.355 2.180 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC23COC(CNC(=O)OC(C)(C)C)(C2)C3)C1 2255145016 BMNJFBYFFZNHAO-UHFFFAOYSA-N 449.548 2.236 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)co2)OC1(C)C 2255544044 SOHUGGVQQGBRGH-GFCCVEGCSA-N 430.232 2.110 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632343 LURDAYAQHXWWKN-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255696705 YBFQNERFWKISJO-UHFFFAOYSA-N 429.326 2.216 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255712650 PUDCPXBPHQLQQY-VXGBXAGGSA-N 430.232 2.250 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255829045 ZQBLKKBKNAAFBP-UHFFFAOYSA-N 429.326 2.014 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255877757 MQHKCXNUGQVVAU-CABCVRRESA-N 431.342 2.271 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255886428 IDKAKMWJPNFQJW-INIZCTEOSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 2267092230 MSHVGZIQLZTAKF-HZPDHXFCSA-N 446.357 2.227 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267132529 QUYODKJTNGTEFS-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267174195 SCKVESNHFBJUGU-ZBFHGGJFSA-N 446.357 2.199 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267189726 DZOFWQXORHQCMQ-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263767 KDGRRCIEQAXJTR-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CCn1cc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267498278 TXYLSFNSBBWGBH-GASCZTMLSA-N 446.357 2.036 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504737 WQMJSKNJYVEYRI-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CO[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2267594126 PWBPVRJXRKNTRJ-QZTJIDSGSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268700587 VXOXJBKAMDGCOU-AEFFLSMTSA-N 446.353 2.142 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2268718065 OFQHYGJZMSGZDQ-QGZVFWFLSA-N 448.369 2.077 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268724923 PYIIQEVYFCKIDP-INIZCTEOSA-N 444.341 2.329 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H]2COC[C@H]21 2269003281 PGXBSMLFVXKOJZ-DLBZAZTESA-N 449.332 2.344 30 10 IEEE C=CCC1(CO)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2287700592 WSEVXDAUPSZPLE-UHFFFAOYSA-N 434.558 2.289 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1C 2296925454 GKYVWSTVHQVPLG-SFHVURJKSA-N 429.473 2.385 30 10 IEEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)C(=O)O)ccc3C2=O)c(OC)c1 2297473271 DPQRMPYBGMXGEK-GFCCVEGCSA-N 427.409 2.288 30 10 IEEE C=CC1(NC2(C(=O)O)[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2306602686 NJDSDVRLXPGFCD-GJZGRUSLSA-N 437.537 2.462 30 10 IEEE CCOc1cc(C=Nn2c(SC)nnc(C)c2=O)ccc1OCC(=O)N(CC)CC 2323019054 QCZDWAFQBRFNCH-UHFFFAOYSA-N 433.534 2.197 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2)cc1 2326660349 AOWDEONGPLZKFA-UHFFFAOYSA-N 427.486 2.421 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]34O[C@H]4C[C@@]21C 199600115 ZSDUSKSIXJMQRS-XRKTWQDZSA-N 432.488 2.483 30 10 IEEE ON=C(Sc1nnnn1-c1ccccc1)C(=NO)Sc1nnnn1-c1ccccc1 254747197 VTBKUOJTCRJIRM-UHFFFAOYSA-N 440.474 2.098 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 427984168 OEZKPPLLEQBEGA-FDDCHVKYSA-N 440.569 2.396 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)cn1CCOC 434214649 FPGQTVGAHFHWPD-MLGOLLRUSA-N 446.426 2.350 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1S[C@@H](C)CC#N 441221750 ALLGWILVBOKOFZ-FQCQXKDLSA-N 445.541 2.444 30 10 IEEE COc1cc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 445689688 IZTZEZCWDNTSFX-UHFFFAOYSA-N 429.498 2.031 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nc(C(C)(C)C)no1 466460753 FIDXVWSFDDWYIB-CQSZACIVSA-N 446.533 2.016 30 10 IEEE CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1[N+](=O)[O-] 471301573 XPVBYPBWDPFGQK-UHFFFAOYSA-N 428.470 2.176 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 476771058 AHJWUCAHDBLCRQ-GHTZIAJQSA-N 449.511 2.165 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477251516 QFSOUQRROWBYSW-UHFFFAOYSA-N 449.463 2.465 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 481020204 UGBPSFCOZXXSGX-BEFAXECRSA-N 428.514 2.193 30 10 IEEE Cc1ccc(CNC(=O)NCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 503706080 UUWNNSMICTTYQC-LJQANCHMSA-N 437.525 2.206 30 10 IEEE CS(=O)(=O)c1ccc(N2CCC(Oc3ccc(C#N)cc3)CC2)c(S(C)(=O)=O)c1 505577433 VZQFHTOSVAOCSQ-UHFFFAOYSA-N 434.539 2.413 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC=C)CC1 508888263 MVKOHBDQMTUCNU-UHFFFAOYSA-N 433.516 2.210 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 508908224 RLQWQBZWURJTAL-IEBWSBKVSA-N 429.546 2.145 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 510445402 PSTSJIJBTVJIEX-CQSZACIVSA-N 447.479 2.072 30 10 IEEE CS(=O)(=O)NCC1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 513524150 GWSRMIVKQYEUEH-UHFFFAOYSA-N 433.559 2.399 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 532960548 RISXNYNXTVGWDU-OAQYLSRUSA-N 436.522 2.275 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)CC)c2)c(C#N)cn1CCOC 540734894 BJELSLUFYIICBE-UHFFFAOYSA-N 433.486 2.229 30 10 IEEE N#CC1(NC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CCN(Cc2ccccc2)CC1 540898535 MUWGZNXAOFUPSX-UHFFFAOYSA-N 444.495 2.120 30 10 IEEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)n1 544753122 PKKYJFWEKAJYEA-UHFFFAOYSA-N 425.492 2.472 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc(F)ccc3Br)CC2)n1 546893437 WSINRLMRWSMAED-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 549326197 KFJAZJZGOYAKAT-LJQANCHMSA-N 429.496 2.352 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccnc(S(C)(=O)=O)n3)c2)c1 552917901 OCJGNKYBGCYDRY-UHFFFAOYSA-N 435.461 2.319 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 558990772 HHTRJIFBQWLZIP-HXUWFJFHSA-N 431.512 2.412 30 10 IEEE N#Cc1ncccc1S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 559142122 YQMSCVRXAUEUIW-IBGZPJMESA-N 426.542 2.160 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 563648546 DVPBTVXJWHFMSK-LJQANCHMSA-N 435.480 2.358 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 567150170 RJDFOHBZUSDZOS-OAHLLOKOSA-N 434.522 2.147 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 572620511 LAUDOVHICWSIBY-UHFFFAOYSA-N 426.565 2.367 30 10 IEEE Cc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(N2CCCCC2)n1 585477417 NPHRIUSLZUWNTN-UHFFFAOYSA-N 426.546 2.158 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c(F)c1 609425710 ZOAZLMJRWXSCPN-UHFFFAOYSA-N 427.455 2.094 30 10 IEEE COCCOc1cc2c(cc1CN1CCN(c3oc(C4CC4)nc3C#N)CC1)OCO2 611260059 IQPMFRYAQMFKRO-UHFFFAOYSA-N 426.473 2.500 30 10 IEEE CN=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1cnn(CCOC)c1 742255387 GOQLLPJISIAFJB-ZDUSSCGKSA-N 426.502 2.192 30 10 IEEE C#CC[C@@H](NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)c1ccccc1 757064169 GXLMPFYQHGTRES-LJQANCHMSA-N 426.542 2.191 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1-c1ccccc1C#N 767960407 ZAGWXUVNKWNPJI-UHFFFAOYSA-N 446.532 2.400 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)s1 781402064 YWLDWLVYDDXEIN-UHFFFAOYSA-N 432.523 2.169 30 10 IEEE Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 790379957 VAQOCEVVSLREKI-QGZVFWFLSA-N 449.508 2.414 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccnc(C#N)c3)cc2F)C[C@H](C)O1 795969199 IFUWVYPEULCSTC-GJZGRUSLSA-N 426.448 2.179 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 806458424 YDTRSJLNXVSAIF-UWWQBHOKSA-N 433.486 2.322 30 10 IEEE O=C(C[C@H]1S/C(=N\CCc2ccccn2)N([C@H]2C[C@@H]2C(F)F)C1=O)Nc1cnccn1 807937024 VXGAVLZKGQXHDX-UOPBMWMUSA-N 446.483 2.397 30 10 IEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC)[C@H]1CCS(=O)(=O)C1 812037812 XTUMNGYWOAVPKA-NSHDSACASA-N 429.365 2.416 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=C(C)c2ccncc2)n1N 1084255980 UNVAVUQRBFUTOR-UHFFFAOYSA-N 426.506 2.353 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)c2ncc(CC(=O)OCC)s2)ccc1F 1129687260 BJJHAOGIHXYLQK-UHFFFAOYSA-N 441.506 2.129 30 10 IEEE COC(=O)c1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(S(C)(=O)=O)c1 1130049884 XPQVKQADMLQQIT-SFHVURJKSA-N 427.482 2.356 30 10 IEEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134429166 QITVSWRXEOUBDR-XMZIXOGTSA-N 447.738 2.267 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)c1 1136832263 FRQVWCRBFQMABL-FQEVSTJZSA-N 439.537 2.147 30 10 IEEE CN(c1ccccc1)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1149120689 XPXSCLRQSHFKBT-GOSISDBHSA-N 426.542 2.243 30 10 IEEE CCOC(=O)Cc1csc(NC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)n1 1196217845 MOHQEYRAEKKJCS-UHFFFAOYSA-N 428.514 2.354 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 1197911817 REVJNRDURHMZME-HNNXBMFYSA-N 448.445 2.451 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)C2 1227042257 FAZISQJZLJMPAR-INIZCTEOSA-N 436.896 2.096 30 10 IEEE C#CCCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286360644 VDGQVVUMQBQJQQ-QHCPKHFHSA-N 439.564 2.157 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286387365 QFWDTKLPBPFIAK-IRXDYDNUSA-N 446.598 2.476 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286462889 ZQHGHKZDUWMDCK-BGYRXZFFSA-N 426.565 2.234 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1286476944 KPJPIXVANUBPDB-UHFFFAOYSA-N 435.532 2.447 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286495811 GAKGKLOIRMVWJE-MRXNPFEDSA-N 426.594 2.398 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1286505411 ZCVUIWCSGJKLSZ-UXHICEINSA-N 439.585 2.434 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)NC)CC1 1286505508 CCBHPWXDVHOAKS-UHFFFAOYSA-N 433.528 2.476 30 10 IEEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1286761271 ZRGGNTSMNLQUCW-JOCHJYFZSA-N 446.573 2.202 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CCC1(O)CCOCC1 1286764487 QUCOWPBKGIIEFA-UHFFFAOYSA-N 426.521 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CCCO)CC1 1286786316 BLXMWMGOXBRJIH-UHFFFAOYSA-N 449.559 2.422 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2COCCO2)C1 1286811604 CYBDGPGWFOUOST-VQTJNVASSA-N 430.505 2.062 30 10 IEEE CC(C)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287206103 IKYYRIOFFTXSNR-YGCDDZCOSA-N 438.536 2.045 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CCO1 1293559837 FYPSDHDOLYABKH-IBGZPJMESA-N 429.546 2.257 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1300455624 MWCBALCXNLZHJF-UHFFFAOYSA-N 430.516 2.282 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(N2CCCCC2)c1 1300513337 VIZGAQGJGKHWSX-VWLOTQADSA-N 448.571 2.437 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCCC2=O)c1 1300666284 VUYQNHVOTPSUTM-HXUWFJFHSA-N 437.544 2.433 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc2ccccc12 1300672339 ZADSYMWHRHHUKP-INIZCTEOSA-N 428.514 2.061 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nnc(C)s2)CC1 1300692970 PLEDGOYFSSVCQQ-UHFFFAOYSA-N 432.557 2.365 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1300709985 NOYUWFMPVMMFDA-FDDCHVKYSA-N 427.524 2.303 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1300972295 JWZZPJKPTSQMFW-HUUCEWRRSA-N 431.459 2.263 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)c1cc(OC)cc(OC)c1 1301017276 IEFGWYWYFGFZSS-LBPRGKRZSA-N 429.930 2.426 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1301424346 JNGKHQCLKWTGEU-SFHVURJKSA-N 438.594 2.026 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H]4NC(=O)NC4=O)cc3)CC2=O)cc1Cl 1301561211 AXADUGLAWSMRAF-ACJLOTCBSA-N 437.843 2.084 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCOCC(F)F)c1 1302986538 GDQQGZHLQZYCOP-SFHVURJKSA-N 446.502 2.257 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C[S@@](C)=O)cc2)n1 1304485026 HPZWJOUJPMFTHG-QPHCHLROSA-N 436.541 2.304 30 10 IEEE Cc1ccccc1-n1ncc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1C(F)(F)F 1305592003 ZFGZXBGOTWVWCV-UHFFFAOYSA-N 444.373 2.031 30 10 IEEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1307909282 PFYMAAZMARSLRW-VLIAUNLRSA-N 439.468 2.124 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 1310371095 JMIGLLLPUWHGFM-UHFFFAOYSA-N 426.542 2.384 30 10 IEEE N#Cc1nc(NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)ccc1Br 1311071871 DGNNFKLTDZCFCC-QGZVFWFLSA-N 443.305 2.092 30 10 IEEE C#CCC1(O)CCN(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)CC1 1311954277 GEALIQBCUCYVBD-UHFFFAOYSA-N 436.350 2.357 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C2 1312644188 MAAKGJAWTPWNRX-FQEVSTJZSA-N 436.487 2.440 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(c4ccc(Cl)cc4)CCO3)CC2)cn1 1313016378 NPRYBNCLUCTBHO-OAQYLSRUSA-N 440.935 2.344 30 10 IEEE CCCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1313484548 AYVORGJFNBHRCY-OAHLLOKOSA-N 440.552 2.381 30 10 IEEE COC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1315805131 USWNHIUTFBFHGH-HXUWFJFHSA-N 448.527 2.374 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1315818355 YMHIFEUKXBABDF-PMACEKPBSA-N 428.512 2.102 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1316188803 KMEJMOYEFNCXBR-ZHRRBRCNSA-N 426.521 2.279 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1316213092 YRQLUHQBBFODBY-SWLSCSKDSA-N 429.399 2.283 30 10 IEEE CS[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1316380080 CORUZSPITVETEM-OLMNPRSZSA-N 426.546 2.430 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)C1(F)F 1316495370 GPKZFJAOAVOPEE-OKILXGFUSA-N 438.504 2.093 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCOC4(CCSCC4)C3)C2=O)cc1 1334175829 YINBGQSRILQVAY-FUHWJXTLSA-N 442.541 2.324 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358869411 KBVHGXVTLDINSQ-DLBZAZTESA-N 432.569 2.475 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1358887209 RLXLWXVNEPLPHJ-SJORKVTESA-N 436.516 2.495 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCC1 1359025187 GGMRGZHKQBHDOZ-FQEVSTJZSA-N 425.533 2.361 30 10 IEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1359086004 HAVQNLHMQCZLCH-UHFFFAOYSA-N 434.338 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1359095553 PKIBKGRUJDFIAX-APWZRJJASA-N 432.546 2.170 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1359125792 SUJAJNDEIUTKEX-HOTGVXAUSA-N 431.541 2.140 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359131109 ICPGDDUCHMUZEY-UHFFFAOYSA-N 447.543 2.219 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359207497 MMLRBDMOKJFMGG-MRXNPFEDSA-N 432.550 2.295 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359227037 RJILMINSVADACU-QGZVFWFLSA-N 431.516 2.021 30 10 IEEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359229192 BBGHTSSHHCOORV-CSODHUTKSA-N 436.509 2.026 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1)C1CC1 1359247963 VYUXDLHCSXGMEH-HXUWFJFHSA-N 434.587 2.371 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359293834 BDZURNBWERFHRT-OXQOHEQNSA-N 435.532 2.499 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 1359898318 ZPMJABVOZABNCS-UHFFFAOYSA-N 447.264 2.246 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CSc4ccccc4O3)C2=O)cc1 1437099421 WEZZFVBKYCYEFY-IAGOWNOFSA-N 436.493 2.433 30 10 IEEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCOCC1 1437483346 UTSJUDMAOZGXIB-UHFFFAOYSA-N 428.938 2.216 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1438602765 PXIZTXIWGDNCRN-INIZCTEOSA-N 447.488 2.285 30 10 IEEE C=CCC1(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CCOCC1 1464036784 ZCXDTZOEUKACRF-UHFFFAOYSA-N 440.490 2.063 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 1465367836 NHVZWNPCYSKHEN-FPOCJBQTSA-N 445.589 2.499 30 10 IEEE COC(=O)c1ncnc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1OC 1472739464 BMPWZAUGJWWTGH-HNNXBMFYSA-N 446.305 2.421 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C(C)(C)C)CCOC1 1502676298 HNXSIXBAPRCMTA-JOCHJYFZSA-N 432.569 2.223 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)Cc1ccccc1 1503068613 QPVIBUYSTXSFCZ-UHFFFAOYSA-N 447.543 2.482 30 10 IEEE CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 1503612309 SMNPEKLGRGICTK-QUCCMNQESA-N 428.512 2.172 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C#N)o2)CC1 1503825493 CWAQPDMGJCKXQD-UHFFFAOYSA-N 435.488 2.140 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCCCCC2)C1 1505317211 DJKYNOFTTDCVEX-QFIPXVFZSA-N 425.512 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCOC(F)F)c1 1507550326 XKELSNKUYOPDMN-UHFFFAOYSA-N 441.442 2.421 30 10 IEEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507574349 OIPXCPYXZUCFMW-FGZHOGPDSA-N 431.537 2.153 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccsc2Br)CC1 1507731207 CUZPWXUTUSDMOS-OAHLLOKOSA-N 436.379 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1507740479 AKYIANOBARWQGS-VAMGGRTRSA-N 429.565 2.157 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SCC)C1 1507746207 MWHGXWSNDAYBKS-HOTGVXAUSA-N 445.680 2.367 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1507967633 MBHJAOZXDOGZIW-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(F)(F)F 1508090978 KRBHUXNWZLQXFT-OAHLLOKOSA-N 425.411 2.481 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508091046 JXDSQADJUIPWTQ-UYAOXDASSA-N 443.548 2.016 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1508124405 FZSZRKCVXGINBB-YADHBBJMSA-N 440.592 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1nccs1 1508136040 OVXODABPGJAURY-UHFFFAOYSA-N 447.542 2.368 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1510288714 PPMIHXLWSFACAT-GAJHUEQPSA-N 448.506 2.348 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)OC(C)(C)C 1513915460 QZEWZDDKDUUHRH-UHFFFAOYSA-N 440.552 2.349 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1F 1518281864 ICPQTKKBRBHPCC-MRXNPFEDSA-N 433.509 2.116 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1518517383 CDRBJOPAUHDDMQ-KRWDZBQOSA-N 426.521 2.079 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccsc1 1519430446 UEZQPNFTMZREBL-JKTDJZPLSA-N 435.525 2.413 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539216673 VLKMIDCBXKLKNE-KNQAVFIVSA-N 428.558 2.080 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1539245535 HREQUKRCYINFJN-LJQANCHMSA-N 435.528 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1CCN(C(=O)OC)CC1 1539285731 NQGTXJKRYRXXSI-UHFFFAOYSA-N 426.546 2.185 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](OC)[C@H](C)CC)CC1 1539459270 BUBONNAEQXRBRL-MSOLQXFVSA-N 444.605 2.086 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN2CC)CC1 1539462867 NGCDSCGZHPGLMR-NJDAHSKKSA-N 428.625 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccc(F)cc1 1539563815 QGSLFEMXQCMXAY-PKTZIBPZSA-N 425.508 2.439 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1539650331 OHVMCFIBJVWYEU-INIZCTEOSA-N 431.566 2.341 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539743366 DQKVCQLKOGVRSU-UHFFFAOYSA-N 440.552 2.280 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)CC1 1539968168 XGUVJZTXRPVOMS-UHFFFAOYSA-N 438.580 2.477 30 10 IEEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539989189 PCVQKPJIWCUNRH-UHFFFAOYSA-N 446.533 2.453 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1540864361 XPLSANJNMNVFFH-LEWJYISDSA-N 449.559 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540903674 GVCIZCAXBGRGJL-APWZRJJASA-N 436.553 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1540904184 LDHWWEUXPXGRDG-UHFFFAOYSA-N 432.594 2.358 30 10 IEEE C[C@@H]1Cn2nc(C(=O)NCCNc3ncccc3C#N)cc2CN1C(=O)OC(C)(C)C 1542361960 FQVRYTFAIUFXEC-CQSZACIVSA-N 425.493 2.131 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1544153535 WHDRHMKMMMJXED-WIYYLYMNSA-N 440.569 2.376 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1547701938 NCMLCJQFVXFILD-QTEQDKRBSA-N 429.613 2.328 30 10 IEEE CN(Cc1nccs1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1554202472 MWFWNASIXUKSMT-ISLYRVAYSA-N 429.550 2.486 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CF 1555546386 UQCIHQYROINNTH-GBESFXJTSA-N 447.536 2.235 30 10 IEEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1555817748 VDBUQGSSRCNIKK-UHFFFAOYSA-N 440.573 2.335 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1C 1557241305 RLSOZJAPYRQRIM-FQEVSTJZSA-N 426.542 2.191 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1585280459 ZDQGLPAXMHCHNM-RBBKRZOGSA-N 449.617 2.091 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1587414750 JJEUYZZJRDZUDP-XLIONFOSSA-N 446.573 2.140 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(=O)NCC)cc1 1587556379 NVQMCDKZPJMDPC-INIZCTEOSA-N 431.500 2.181 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@]1(C)OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1588058813 CWVAEJUZHINOEU-YWZLYKJASA-N 434.587 2.017 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)OC 1588140403 WLWMNDLCEYYEAG-ZWKOTPCHSA-N 431.537 2.084 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1589116039 BWKOHGLURGHBSG-GOSISDBHSA-N 443.573 2.337 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1589126261 YOFKQVUIDBNPFF-AVRDEDQJSA-N 444.605 2.099 30 10 IEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1593872995 OKNDXXSPDULRID-UHFFFAOYSA-N 436.925 2.217 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1594491542 DHOYXOSYKIVUDM-UHFFFAOYSA-N 443.552 2.460 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1594998098 XHFHMSGJSNOHPP-FMQUCBEESA-N 426.452 2.145 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1595496635 BSVJBWCQZLHOIX-JOCHJYFZSA-N 429.521 2.270 30 10 IEEE N#Cc1c(CCCNC(=O)C[C@H]2NC(=O)c3ccccc32)nn(-c2ccc(F)cc2)c1N 1595532730 DLVJIMULSAJJNY-HXUWFJFHSA-N 432.459 2.389 30 10 IEEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1612442929 RILVDBZHCYIWDU-GOSISDBHSA-N 445.593 2.296 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1ccco1 1620002085 NUQBHGMBTSJGLY-IERDGZPVSA-N 430.509 2.155 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1620077043 CLMHNBUFYDEMSE-WZONZLPQSA-N 441.532 2.254 30 10 IEEE C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1623277666 DTTAPBYQIRMYIA-QGZVFWFLSA-N 443.529 2.162 30 10 IEEE CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 1623714049 VMTUHLYAJZWYEG-UHFFFAOYSA-N 434.905 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H](O)CN1CCCCC1 1627098588 GPOGXUGPYXELFI-CTNGQTDRSA-N 442.560 2.356 30 10 IEEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)c1 1628455541 IMOFZKPOVPUXGV-UHFFFAOYSA-N 427.486 2.228 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)cc1 1636903545 NANKLQJZJCAVIB-JTSKRJEESA-N 447.557 2.118 30 10 IEEE C[C@]1(C#N)CN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 1639634162 XKVIWDBGSQZFPM-QPPBQGQZSA-N 435.480 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)CC1 1640967915 RZNANVFJPNGDFC-IBGZPJMESA-N 442.516 2.007 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1 1645140663 BZVNFADOTCNPTM-NRFANRHFSA-N 447.944 2.398 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1[C@@H]1CCC(=O)N1 1647994576 ORKKQXIRJROGIZ-KRWDZBQOSA-N 426.498 2.095 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 1655372356 NJAFMWOVYIIDSF-UHFFFAOYSA-N 436.555 2.208 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C3CCC2(CNC(=O)OC(C)(C)C)CC3)CC1 1660592348 URVVWGOCNIMNNA-KPRXVCGWSA-N 433.597 2.200 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(Br)cc1F 1666604268 PXNFGPMJKFNFON-NSHDSACASA-N 426.329 2.260 30 10 IEEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCN(c3ccsc3C#N)CC2)c1 1678210189 BEBOLXZCGHRYON-AWEZNQCLSA-N 433.559 2.121 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1689892263 BHOUSGAITBWUHP-HKUYNNGSSA-N 447.561 2.001 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(OC)CCOC1 1690100052 VUHJCJGGOXHNMG-HSZRJFAPSA-N 436.516 2.022 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnn(C)c1C 1690674780 FFXZXQXYPRPDCB-UHFFFAOYSA-N 432.532 2.262 30 10 IEEE CC(=O)NCCCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1690984276 OEGMONFBYMZZFY-UHFFFAOYSA-N 427.528 2.439 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCn2ccnc21 1694327055 LMZRCWYLLLSHEL-YCRPNKLZSA-N 428.516 2.413 30 10 IEEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1694488159 AUINGNQCBJSAMA-AEFFLSMTSA-N 430.578 2.385 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1695356160 FHLBLEIURPRPOM-UYAOXDASSA-N 442.589 2.172 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1conc1COC 1696347070 IPVNYMILVQDBSO-FQEVSTJZSA-N 438.488 2.447 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1)OC 1697767472 SCTKAZQAQOPUEV-LJQANCHMSA-N 427.505 2.007 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705537961 WOBZUKDZGFSQLQ-UGKGYDQZSA-N 439.560 2.436 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(c2ccncc2)CC1 1705541062 YKLBZXRBDISBTI-UHFFFAOYSA-N 430.516 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)NCC(F)(F)F 1705576198 HBAYDEBOHOAYCH-UHFFFAOYSA-N 427.789 2.489 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N(C)C)nc1 1705587225 MIGRCEFKQBOLJP-UHFFFAOYSA-N 430.512 2.448 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705661039 PFYWCXLQTQPNBZ-UHFFFAOYSA-N 432.638 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1705707451 LIANTMLSLWXOMA-QIJZPMMNSA-N 447.580 2.088 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1705724844 UMMKGABQOUWXMM-SFHVURJKSA-N 426.496 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC)C2)C1 1705917176 RAZROMYRBPEWOO-MZKRTTBSSA-N 433.597 2.442 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1708607136 WCHNNNDLRVADKC-AZUAARDMSA-N 438.580 2.106 30 10 IEEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C)(C#N)CC2)no1 1708995500 SKZLCSUZRLVRKC-YJBOKZPZSA-N 429.525 2.320 30 10 IEEE COc1ccccc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1711990319 QEFOSYJSNWPSKT-INIZCTEOSA-N 441.513 2.338 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1712885435 KUHPWIKRDYSKOC-IBGZPJMESA-N 438.532 2.215 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722305846 DETJSFIPUQEHFX-UHFFFAOYSA-N 440.508 2.264 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCNC(=O)c1cccc(C)c1 1722399708 RDXBFUMOGWRBLQ-UHFFFAOYSA-N 426.524 2.465 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C(C)(C)C 1722420718 KKUQHOZPQGKBHW-IBGZPJMESA-N 448.589 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OCC)c(OC)c2)CC1 1722448541 ZBZRKTGADNDNFE-UHFFFAOYSA-N 425.533 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[C@H]2OC)CC1 1722449563 UYRXFTGZELVVSI-NHCUHLMSSA-N 436.560 2.045 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS(=O)(=O)C1 1722466133 JNBYGGXJBWKSPG-IIBYNOLFSA-N 435.594 2.013 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722554792 HRPDJHODRRBQTB-HNNXBMFYSA-N 431.990 2.223 30 10 IEEE C=CCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722691619 WOGXBEOMIFRNIV-UGKGYDQZSA-N 430.553 2.223 30 10 IEEE CC(=O)Nc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cc1 1722798793 HNSJZTMNSVUCQP-UHFFFAOYSA-N 435.532 2.455 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1723772259 IXQBMNRYLATRGX-YOEHRIQHSA-N 444.561 2.002 30 10 IEEE C[C@@H](CN(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)c1nccs1 1723807493 MSFUMGFZDSYVNL-WMQDPJMESA-N 427.534 2.378 30 10 IEEE C[C@@H](OCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1724008328 SRFUALSNUMKWTO-UYAOXDASSA-N 438.532 2.411 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1728628692 GTWWBLRINZHNRX-WMZHIEFXSA-N 437.592 2.310 30 10 IEEE CN(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1729341898 XHMNENLNVLQMNJ-UHFFFAOYSA-N 440.596 2.038 30 10 IEEE C#CCCCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)[C@H]2COC[C@H]21 1735797803 BYCQPXARFKULCV-FIQGOXITSA-N 426.557 2.069 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1740627050 OGUFFXDIIYAODB-UXHICEINSA-N 428.558 2.156 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccco2)N(C)C)CC1 1740698156 PKCIOYVNJRLOSR-IBGZPJMESA-N 439.589 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CC)CCC2)CC1 1740703543 WPYXUNLZZPBKDZ-DEOSSOPVSA-N 443.592 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CSC 1740760869 LFVXPBWKQTZNGT-OWSLCNJRSA-N 440.635 2.493 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC[C@@H]2C)CC1 1740820272 XBEBSIIRILTGSM-SFHVURJKSA-N 445.589 2.226 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OC(C)(C)O2 1740940523 JDWPIJDMXQLOBK-MRXNPFEDSA-N 427.505 2.424 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1741247514 LDTMKXKORMFUKO-ZJIFWQFVSA-N 425.480 2.350 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1747858888 FSFDPNMVHACSCZ-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@H]2C)c1 1748577955 BDOPSOOREGZNRL-UZLBHIALSA-N 426.521 2.175 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1748979675 IWRRTLCIYAVYGA-HTAPYJJXSA-N 426.521 2.406 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N1CCN(CC)CC1 1749051431 ILXQRBNQFVAEMB-NTKDMRAZSA-N 443.640 2.215 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749083886 LSLUCDKDEAVPMO-SMDDNHRTSA-N 439.358 2.467 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCS(C)(=O)=O 1749530980 AXNFEXSEFWZQBG-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1749561833 YHGNOFUDEKKVNH-OAQYLSRUSA-N 429.546 2.005 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(c2nccs2)CC1 1749659042 SHBIVRVAWPMAHE-UHFFFAOYSA-N 427.534 2.322 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(C)c2)CC1 1749676117 FCUCBLVNXYQWMH-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1749736030 YKMBWCGFAWLJAD-KURKYZTESA-N 438.594 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749736315 IFNCTSAPQXNZFG-XLIONFOSSA-N 448.589 2.340 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)c1 1751652881 NMMSATKYHBTYKZ-NRFANRHFSA-N 440.548 2.007 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1760111643 QEDURXINJHCCMK-IVZQSRNASA-N 438.557 2.001 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1760135186 LXROFVQIHJSPAY-UHFFFAOYSA-N 426.521 2.162 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1760187602 XBSMBCOHFBSALD-CYBMUJFWSA-N 443.392 2.340 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760188337 OLQJIFNBVHEKEJ-LJQANCHMSA-N 444.557 2.008 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760234435 NQGAADVFPHERQG-NRFANRHFSA-N 436.560 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC1CCN(CC)CC1 1760248417 LFAVHGVNWMLPSD-UHFFFAOYSA-N 442.564 2.214 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)n1 1760252873 SMYOHUQSRBDKIF-KRWDZBQOSA-N 436.507 2.483 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCN(C)CCOC)CC1 1760256539 HVURHDCMGUUMOA-UHFFFAOYSA-N 436.604 2.082 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1760261127 LPNWYPSYJDXCJT-OFNKIYASSA-N 425.581 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@H]2C)CC1 1760265724 HWNPZFZAPPBNLW-HBFSDRIKSA-N 431.581 2.404 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760281876 ZPCKNCBNOFLHIQ-KBPBESRZSA-N 431.484 2.143 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](NC(=O)CCC)C2)nnc1C(C)(C)C 1760557957 BMIAHYXQTYYLTI-MRXNPFEDSA-N 425.599 2.062 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760559896 VDYXYELTCVEWBS-CSODHUTKSA-N 435.594 2.206 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)S1 1763089411 KSUZIVMCCXSGEP-ZQIUZPCESA-N 439.545 2.135 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C#N)CC1 1766693606 FEDGZTUTSGHDCQ-UHFFFAOYSA-N 433.534 2.040 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1767571384 HFNQQBJSAMCWBU-KRWDZBQOSA-N 437.548 2.038 30 10 IEEE COC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1769245961 AEIQOTGLSGVPBI-NQIIRXRSSA-N 425.468 2.234 30 10 IEEE COc1cccc(OCCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1770382317 HYUONEYLKNDNMI-PXNSSMCTSA-N 427.505 2.379 30 10 IEEE Cc1ccc(-n2nc(C)c(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)n2)cc1 1851817024 PETWCSHMNJKFFH-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)CCC(=O)Nc2ccc(F)cc2F)CC1 1851834699 SNYFDKOOTURXPI-UHFFFAOYSA-N 443.454 2.316 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3c[nH]nc3-c3cccc(Br)c3)CC2)n1 1852814911 FHQCEYODTIZERW-UHFFFAOYSA-N 438.289 2.463 30 10 IEEE Cc1nc(N(C)C(=O)CN2C(=O)CCC2=O)c(C#N)c(C(F)(F)F)c1Br 1852928279 DDESKDRWLFSMQK-UHFFFAOYSA-N 433.184 2.155 30 10 IEEE Cn1cc(CC(=O)Nc2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)cn1 1852937197 GZSVJSIUMDEGPS-UHFFFAOYSA-N 428.496 2.435 30 10 IEEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H](C)Cc1nc(-c2ccccc2)no1 1853539741 KKWMFQPEPGMQHV-FUHWJXTLSA-N 434.500 2.469 30 10 IEEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1 1853925166 YDERLSCFZCVOEZ-UHFFFAOYSA-N 447.900 2.088 30 10 IEEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)CC1 1855171879 RIMVIGHEYSSUDY-GOSISDBHSA-N 433.574 2.358 30 10 IEEE Cc1ccnc(C)c1C(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1856898285 RAROGACNXPAJQA-UHFFFAOYSA-N 426.498 2.352 30 10 IEEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)Cn3c(=O)sc4ccccc43)C2)CC1 1856983444 LRZMHLIKBAYKOJ-KRWDZBQOSA-N 426.542 2.454 30 10 IEEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cc(CC(C)C)n(-c2cccc(Cl)c2)n1 1860948964 AEERPTIKVIJMAO-GOSISDBHSA-N 445.951 2.390 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 1869923727 GUAYRTXOPLQVEN-UHFFFAOYSA-N 434.408 2.132 30 10 IEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc4c(c3)C(=O)CCC4)cc2C1=O 1870158350 SWCDUXVPXLFJEH-UHFFFAOYSA-N 440.419 2.136 30 10 IEEE C=CCn1nc(C(=O)N2CCC(C(=O)OCC)CC2)c(I)c1C 1871336724 RJYXDPPBYLMWGS-UHFFFAOYSA-N 431.274 2.397 30 10 IEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871667035 OXXVKOZNAVAWFZ-UHFFFAOYSA-N 432.569 2.031 30 10 IEEE C=CCn1c(C(=O)NCCC2=CCCCC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873595800 SNUGJGWNOXNEAO-UHFFFAOYSA-N 438.576 2.352 30 10 IEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874317032 CPAXMAZKNFEQCG-YDZHTSKRSA-N 439.497 2.448 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(I)cn1 1988515253 JDEUTXJFQMTSTO-LLVKDONJSA-N 430.246 2.326 30 10 IEEE C=CC1(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)O)CN(C(=O)OC(C)(C)C)C1 1993306333 LOBCBXOMZVJZAX-FQEVSTJZSA-N 427.542 2.332 30 10 IEEE C=C(Br)CS(=O)(=O)N1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C 2006268034 VGVFZMNSSWWXFB-CHWSQXEVSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 2060725257 GQFYSUXWZYESCP-NRFANRHFSA-N 441.576 2.166 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)CC(O)C1 2073756840 MEUWWAGJAPPATQ-NRLZPTQJSA-N 436.358 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247778250 ZEPNSTUBWCGXHE-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255370495 UWXQTBKUBGSIAG-UHFFFAOYSA-N 434.390 2.274 30 10 IEEE CC[C@]1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2255629769 ATODSSUONUIQKF-NRFANRHFSA-N 434.346 2.228 30 10 IEEE C=C(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c1cn(C)nn1)B1OC(C)(C)C(C)(C)O1 2256623699 RVNYSZNGBPYWBI-OAHLLOKOSA-N 435.334 2.027 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256664369 BNVVRQPMBACNOH-HNNXBMFYSA-N 449.382 2.365 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)(CO1)C2 2256672117 BULKSFGBKQXNBO-VXKWHMMOSA-N 434.342 2.201 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2266704931 BDHQETBBNNQDAC-UHFFFAOYSA-N 448.325 2.359 30 10 IEEE COc1cc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267134106 LACJJTFRZQSQTP-OAHLLOKOSA-N 448.325 2.275 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCCC4(C3)OCCO4)cc2Cl)OC1(C)C 2267352893 IIEMWMGNJHGZMJ-UHFFFAOYSA-N 449.787 2.228 30 10 IEEE CCn1cc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267491774 IORQNTNJJYANER-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267505307 GJHBPHKMRJWBKY-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CC1 2267524519 RCDWTVDUEYHNOM-UHFFFAOYSA-N 448.373 2.062 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267526230 ORKTUPIUDHPSQU-SHTZXODSSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267549756 PJSQXPDKVDCBQU-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267592008 BIDPAISNPBZAGQ-OAHLLOKOSA-N 446.353 2.086 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267592833 PCTDQAOLUKDLAP-QZTJIDSGSA-N 446.353 2.316 30 10 IEEE C[C@@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268643900 ZYUBYURTMLQGHA-MRXNPFEDSA-N 448.369 2.392 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2312861678 UVRHSECFXVTBAA-NNXHMXCWSA-N 436.358 2.155 30 10 IEEE Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324194649 AQHLEVCONZNLJS-UHFFFAOYSA-N 439.468 2.335 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccncc2)cc1 2326251944 IXSONNYYBBDLKC-UHFFFAOYSA-N 426.502 2.153 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(=O)OC)cc1 2331571118 QEHIBTFSEWTBMY-UHFFFAOYSA-N 446.514 2.281 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337205076 UJWIUXOIGGEMIR-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE COc1nc(N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339785592 YPOZLIYTSXKEDF-STQMWFEESA-N 443.275 2.425 30 10 IEEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 88367427 XSFJVAJPIHIPKU-ABHKPEJCSA-N 434.504 2.275 30 10 IEEE biogenic COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1 102495954 KQGFZMVGADOEEK-LCPUNJGISA-N 425.485 2.472 30 10 IEEE CN1CCC[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C(F)(F)F)cc1 301294838 REELCBKIRFGOEP-WMLDXEAASA-N 435.450 2.469 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 409488749 WEHNWYQZEMAMLS-OAHLLOKOSA-N 429.384 2.293 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(Cc3ccccc3)c3ccccc32)C1=O 438597264 LAXNGFWMUMGQCM-KRWDZBQOSA-N 432.480 2.405 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2snc(C)c2C#N)CC1 439304379 NQXFTECUESIBQG-UHFFFAOYSA-N 448.526 2.149 30 10 IEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCOC)Cc1ccnn1C 460802632 KGWOMPGZTFXYFU-UHFFFAOYSA-N 448.531 2.155 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 461730295 RZPDFSXTMZGSAH-QRVBRYPASA-N 428.500 3.014 30 10 IEEE Cc1cc([C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCO2)ccc1F 486046351 PRGNDFKLAMSSPF-QRWLVFNGSA-N 431.489 2.273 30 10 IEEE COC(=O)c1cc(C)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506824674 NPOJNWIIEYXCKI-UHFFFAOYSA-N 442.497 2.192 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508997824 KPAOIQVFJXJREL-UHFFFAOYSA-N 434.491 2.333 30 10 IEEE CN1CCCC[C@H]1CN1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511418046 ZSGBALSDCLOXHZ-ORFBVSJDSA-N 440.592 2.455 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 515009987 FIEOBCKAHWYWNB-OAQYLSRUSA-N 436.560 2.275 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)c1 532755985 VMGKJSVAINHJKE-OAHLLOKOSA-N 426.513 2.266 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)c1 536130695 RIBLKEIEPOOKFR-HXUWFJFHSA-N 445.585 2.406 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545506260 UBRVXKNTVXOULQ-UHFFFAOYSA-N 442.545 2.338 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc(Br)cc4c3OCC4)CC2)n1 546174593 CMZSHHNQHKLQNO-UHFFFAOYSA-N 449.330 2.162 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 549691102 VJKNTQZFZHEYMS-FPOVZHCZSA-N 425.533 2.394 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)[C@H]1c1ccc(Cl)cc1 581702400 GRFSIOYXIUHEBO-WIYYLYMNSA-N 438.919 2.410 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 590914666 MPARVTSLPPXSNM-INIZCTEOSA-N 443.594 2.021 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CCC(=O)N2C)cc1 744007179 CDPYSPGLEPASRC-TZIWHRDSSA-N 441.509 2.123 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3ccnc(C#N)c3)nnc12 746960340 WEVOIDRYFMXLJH-UHFFFAOYSA-N 432.465 2.332 30 10 IEEE C[C@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 752613593 IDUNGNMPZCAQOY-INIZCTEOSA-N 435.546 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 758640839 AMZUTNNKRFEOIO-WCQYABFASA-N 443.909 2.149 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCCC2=O)cc1 765038537 VWSPTNCWNBORMV-MRXNPFEDSA-N 440.525 2.058 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCC2CCS(=O)(=O)CC2)C1=O 768420431 FHNWVZWGVFEZBN-QGZVFWFLSA-N 437.587 2.278 30 10 IEEE C#CCN(C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)[C@H]1CCS(=O)(=O)C1 774248908 BYKGEBRWBTYTHN-OCCSQVGLSA-N 431.327 2.351 30 10 IEEE COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 780204281 GNAZHHQYZNBFDL-UHFFFAOYSA-N 433.408 2.079 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 780956449 VQSYLHKGZBTFDS-IBGZPJMESA-N 433.555 2.187 30 10 IEEE Cc1c(NC(=S)NN=Cc2cnnn2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 792889107 DJGXAUBMECXASB-UHFFFAOYSA-N 446.540 2.445 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)ccc2c1=O 802243104 YEQCRBYJPQHSJU-MAUKXSAKSA-N 429.542 2.169 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 809893329 MVIJOAHMKRLRQN-KRWDZBQOSA-N 429.525 2.241 30 10 IEEE COCCn1cc(C=Nn2c(-c3cccc(OC)n3)csc2=NC[C@H]2CCCO2)cn1 811626812 NSMJIMNFXZUVRK-QGZVFWFLSA-N 442.545 2.425 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)CC1 858029201 UBIWMIUIDHIPLU-YADHBBJMSA-N 425.577 2.495 30 10 IEEE CCOc1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 1084200738 VVWQSAUCSQPVKF-UHFFFAOYSA-N 425.518 2.245 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1126410376 DXSXFWYCOWUTSU-IBGZPJMESA-N 431.514 2.365 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1 1153253366 KDVPJRLDBAVFMY-FQEVSTJZSA-N 440.521 2.401 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(C4(O)CCOCC4)CC3)C2)C1 1155961007 RKYDGNHTIFWOMA-BQIYRTECSA-N 433.549 2.211 30 10 IEEE O=C(c1cnn2c(=O)cc[nH]c12)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807517 PYEOYFNFQOPPKU-OCAPTIKFSA-N 430.255 2.266 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cnn(-c2ccc(F)cc2F)c1C)c1cc[nH]n1 1164149752 IKNCBCZAVJQDOJ-UHFFFAOYSA-N 432.387 2.105 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)c1 1164155879 WXCYLVYEUUAORH-UHFFFAOYSA-N 431.496 2.004 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1192633963 BJKVIXIMKRZMDV-RDBSUJKOSA-N 442.504 2.490 30 10 IEEE CCO[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1195825367 IPTOUPVRNXKMCU-IEBWSBKVSA-N 437.562 2.194 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)ccc1F 1278303350 IVMXLURJZRRXRW-LJQANCHMSA-N 431.533 2.289 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC(=O)NCc2ccco2)c1 1286309554 RYTJPLVYVGATAB-UHFFFAOYSA-N 434.500 2.367 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNS(C)(=O)=O 1286363690 WSHIEYUWVXGDDX-UHFFFAOYSA-N 440.573 2.361 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1286375997 BZHLRGXBXVSBAJ-LEWJYISDSA-N 441.601 2.395 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1286404936 XQUVATNDEMJGHC-UHFFFAOYSA-N 431.496 2.091 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCN1CCCS1(=O)=O 1286423914 PNUFKWJTYIFGSV-UHFFFAOYSA-N 431.949 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC1 1286489611 ZDEHZJVFTBCDQB-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286506992 AABDJFSQUMJJLG-HXUWFJFHSA-N 438.601 2.373 30 10 IEEE C=C(C)COCCn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286614105 LCNCMNHDOAQTGL-JOCHJYFZSA-N 436.553 2.301 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286704039 XILSLJLNEKELER-INIZCTEOSA-N 429.525 2.451 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286792600 CQCSOKCJOCKCLH-MJGOQNOKSA-N 429.496 2.446 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1286967498 FBZYCVJXLCHECV-ZWKOTPCHSA-N 425.537 2.048 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1288247638 DNAURZITVDGREF-LJQANCHMSA-N 440.548 2.408 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC[C@H]1C 1291154181 UQRQXTDSYLPBSH-IAGOWNOFSA-N 431.562 2.360 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1297588723 XVMMYMMAUPFNNT-LJQANCHMSA-N 426.521 2.070 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1298087866 DAGURVOVHRBMLV-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1300579545 TYUOGPWBFPEPCS-UHFFFAOYSA-N 444.539 2.350 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300755227 OSSOZYUAELVZSR-QGZVFWFLSA-N 435.557 2.164 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1300896697 IHIBSMVWARXNEP-IIBYNOLFSA-N 429.496 2.256 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1301012758 HNWUNRYZQWTZJA-UHFFFAOYSA-N 448.959 2.074 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(Cl)ccc1OC 1302098802 QQGCGHKIWGCHCS-YOEHRIQHSA-N 435.912 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1302225938 WWAUHSKYXKHJTI-KURKYZTESA-N 446.552 2.300 30 10 IEEE N#CCCN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1302596678 OJKBXFAMSLLJQO-UHFFFAOYSA-N 443.485 2.067 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(C(N)=O)C2)c1 1302788157 KPOMLTLJUMNHIS-UHFFFAOYSA-N 433.917 2.279 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)C1 1302978227 HTHRFNVRSLRMQK-ORAYPTAESA-N 438.385 2.460 30 10 IEEE CC1(C)OB(C2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)OC1(C)C 1303201437 YSYJSGUTSVPQSC-UHFFFAOYSA-N 438.355 2.188 30 10 IEEE CN(C)C(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1314625435 DVNHYQKOOTWYAY-IBGZPJMESA-N 440.523 2.385 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCSC1 1314700588 FDUBSGCTZHMHLR-INIZCTEOSA-N 447.586 2.248 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1316274174 NWBNWQAVQDVDOZ-FLAQELHPSA-N 443.573 2.421 30 10 IEEE C=CCO[C@@H]1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1320897144 AWOLUPQKOFXGOW-LJQANCHMSA-N 433.574 2.027 30 10 IEEE CCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1351834075 HQZXQDUEBSTYLE-WBVHZDCISA-N 437.949 2.380 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)C1CC1 1358941314 FFUZQFQYIVUPFV-UHFFFAOYSA-N 432.322 2.312 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358961027 QLRKPNHDVLYUIA-QGZVFWFLSA-N 433.578 2.353 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)CC 1359015650 AEDYZOQCTRGBAW-QHCPKHFHSA-N 443.523 2.187 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2ccccc2)CC1 1359028311 NWOUJFPJICALBP-LJQANCHMSA-N 429.528 2.484 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1359030361 UTPGITGLALDNHF-LEWJYISDSA-N 446.640 2.268 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1359039213 ZWCJAFWTCADSKW-VWLOTQADSA-N 448.571 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc([C@H](C)O)cc2)CC1 1359047676 OXRTZEWGFNSXNZ-LAUBAEHRSA-N 437.544 2.197 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1359109165 RAYIFIAYRMJYED-UHFFFAOYSA-N 434.522 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1c(C)noc1C 1359334297 ZVCPDBLLBKOAOI-UHFFFAOYSA-N 430.534 2.106 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359334438 FRRWVSQMLSOUPF-HNNXBMFYSA-N 436.500 2.379 30 10 IEEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c1 1453505019 HLEGCSFDQPZCBK-UHFFFAOYSA-N 430.468 2.305 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)CNC(=O)c3ccc(Br)cc3)n[nH]2)c1 1458041394 IFPSLKRFTVRCHZ-UHFFFAOYSA-N 425.246 2.474 30 10 IEEE CC(C)CCN(CCC(C)C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1459211700 QQPKIKDYHILLRX-UHFFFAOYSA-N 448.564 2.144 30 10 IEEE CCC1(N2CCC2)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1460792965 JZWDZEZWEMKBCA-JOCHJYFZSA-N 427.568 2.485 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1467990929 GKKQNGNHCBNLNA-GDBMZVCRSA-N 445.379 2.293 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1471118481 ODLZGGXKQXZPDA-YJYMSZOUSA-N 434.892 2.153 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCCO1 1478479659 RTEMJFSRBQGWPR-OWQGQXMQSA-N 425.323 2.089 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1499954254 BZGHJSGTARHVTP-QRWLVFNGSA-N 433.582 2.385 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505107992 JVLWAOXNZGDMAG-MXLIYFDZSA-N 442.907 2.350 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507579701 FGESVHJVAHOZDB-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1507955003 UFMNZZOBOGUODK-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1507998603 QUZYVKPATDWLFP-WTPASJBYSA-N 443.573 2.342 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)CCOC1 1509816457 NFJNHSRIXUADNR-DNVFCKCGSA-N 446.596 2.168 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC(C)(C)C2)cs1 1511547298 SMXQIMRGCNZFHB-SFHVURJKSA-N 429.594 2.485 30 10 IEEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1511617822 FRVNCNGFTXTJNO-UHFFFAOYSA-N 439.545 2.035 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513149873 HGDKDEDROCITDO-HOTGVXAUSA-N 425.537 2.047 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1513355174 FUVDKYJCENZCGA-QRWLVFNGSA-N 434.516 2.182 30 10 IEEE COc1cc(C(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)ccc1C#N 1515419558 STDFGXMBISBREI-UHFFFAOYSA-N 432.278 2.090 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1517042108 LNEIZROHOXNCDO-ROUUACIJSA-N 429.546 2.113 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCC2)nc1 1519162429 GITFOCSAZQZZMJ-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)C1(F)F 1520809430 DTOUHRKDIGMDJJ-AOWPYAMASA-N 434.491 2.485 30 10 IEEE N#CC1(CC(=O)NCC(=O)Nc2ccc(I)cc2)CCOCC1 1532479510 YYUORQVZUMQVAQ-UHFFFAOYSA-N 427.242 2.056 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1534707740 ACNRXQCDZHHZGC-IBGZPJMESA-N 429.517 2.114 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1538965370 OMUDBEYZURFDHB-HNNXBMFYSA-N 426.912 2.001 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1539028989 FSNQBKVKJXUEEJ-LJQANCHMSA-N 436.560 2.422 30 10 IEEE C#CCN(CC#CC)c1nnc(CC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539325418 IKGBFGQSQJFSAD-FHWLQOOXSA-N 427.549 2.328 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1540197953 ALIXJKHOWBOYNI-GOSISDBHSA-N 434.562 2.263 30 10 IEEE N#Cc1c(CCCNC(=O)c2ccn(C3CCOCC3)n2)nn(-c2ccc(F)cc2)c1N 1540746913 LUXDVWLDKBOYQF-UHFFFAOYSA-N 437.479 2.376 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540870567 QGFBCAZJEAXYKF-IBGZPJMESA-N 444.580 2.051 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1540907877 LDQWJGOWLCQGTK-UHFFFAOYSA-N 444.609 2.069 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 1540918562 UJRKGQGNHRNYHS-UHFFFAOYSA-N 428.606 2.484 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CN3CCCC3=O)cc2)s1 1543370642 FRGDVPHACIUTOE-UHFFFAOYSA-N 447.582 2.194 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)CC1 1555206031 CTAIFQODCZNPET-HSZRJFAPSA-N 438.532 2.117 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1555808726 DCSYZSRJULMJLO-UHFFFAOYSA-N 439.488 2.113 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1565718722 OYUQJXRNXDWKPX-YSIASYRMSA-N 430.549 2.087 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1569724727 DNSRKYMSOGGWHK-GOSISDBHSA-N 429.542 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1587626205 IQEXTFUDPZESCM-QZTJIDSGSA-N 449.559 2.289 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1587759160 PMEWAGBZOVSJIW-HNNXBMFYSA-N 433.438 2.404 30 10 IEEE C#CCN(c1nnc(COCC)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588074093 IPABIGZGDZYRSC-GBESFXJTSA-N 438.594 2.037 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOC(C)(C)C)CC1 1588835598 CIRBNEPQGMXGEN-FQEVSTJZSA-N 425.533 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1589242750 IEGUGNMOLXKDOD-NHCUHLMSSA-N 429.546 2.067 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(C2CC2)C1 1594896596 ZMGJLXAEAWRIFS-KRWDZBQOSA-N 444.605 2.302 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccn(C)n1 1595094304 QHJNZNOLWKWGFY-FQEVSTJZSA-N 430.516 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1595523211 ROGBZQRYQCLHIK-UHFFFAOYSA-N 448.571 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1595784545 IRJFPGZJIKQGOC-INIZCTEOSA-N 429.546 2.263 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 1595790490 MUQFOVFNVFRHBS-HXUWFJFHSA-N 429.517 2.383 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1 1615672733 CUZIFSZGGGJEFG-UHFFFAOYSA-N 429.502 2.241 30 10 IEEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1616347004 MNNAKEKDRYSZPY-CZIZESTLSA-N 428.489 2.010 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCc2c(C#N)cccc21 1616596540 KCAZBNSYMITBBZ-UHFFFAOYSA-N 425.510 2.481 30 10 IEEE COC[C@@H](F)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619624902 BOAZSQOZIQQEJJ-HKUYNNGSSA-N 428.512 2.327 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OC)c(F)c1 1620024191 FFASGTHDCYKMDK-RDJZCZTQSA-N 433.484 2.121 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@@H]1CCC[C@@H]1C#N 1620488368 XCQALZLYDWCYLB-IFMALSPDSA-N 444.601 2.022 30 10 IEEE COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2)cc1 1620624014 MMQSMPBLTGGQMB-ILBGXUMGSA-N 436.556 2.123 30 10 IEEE C=CCC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1623969439 KOKBVQHLPXDGBR-KRWDZBQOSA-N 448.589 2.124 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1 1626307770 WDRFRCDKVKGRBU-UHFFFAOYSA-N 426.477 2.238 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1627251810 VKKDGXGPOBCQSW-XLNGHYISSA-N 427.467 2.129 30 10 IEEE CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1628360892 NQLDVKJOEYJAAJ-PMACEKPBSA-N 438.503 2.407 30 10 IEEE C=CCCC[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OC 1634883853 CMPVLGHVKCWMAE-ZDUSSCGKSA-N 425.279 2.189 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21)C(=O)OC 1635158470 BNUQIZXTYFHQGH-GAJHUEQPSA-N 448.516 2.222 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c1 1636394278 XIYRGPKHFWRLSJ-CEXWTWQISA-N 445.338 2.429 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1636632022 RGEREUBXGRSWSW-SBUREZEXSA-N 427.501 2.297 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 1638718724 CNKLDUZIGFKTGO-KRWDZBQOSA-N 441.431 2.095 30 10 IEEE Cc1nn(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c2ncc([N+](=O)[O-])cc12 1640949679 FWFMUUMDIVBGKP-IBGZPJMESA-N 437.435 2.196 30 10 IEEE CN(C)C(=O)N[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1642507112 LEMNFKFFSAVMES-INIZCTEOSA-N 434.338 2.019 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccn(C(C)(C)C(=O)OC)n3)ccc2c1=O 1648926640 PCQLZDQGYMPZFB-UHFFFAOYSA-N 427.486 2.228 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](COC)C(C)C)nnc12 1649082673 QFNORIUQXHBKLU-HNNXBMFYSA-N 429.546 2.357 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 1665990355 UCZTXJPYWWXOMW-UHFFFAOYSA-N 437.562 2.204 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1666222317 BJVDOTRVPAYIQE-OAHLLOKOSA-N 444.289 2.445 30 10 IEEE CC(=O)Nc1cccc2c1CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1671494683 CXTWQNKOSHIPMG-APWZRJJASA-N 427.505 2.472 30 10 IEEE C#CCN(C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1675060708 MVDXGNIDTUXLTG-PBHICJAKSA-N 432.373 2.428 30 10 IEEE Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)NCC3(C#N)CCOCC3)C2)cn1 1676738277 RURNVQJPJYLNGR-DLBZAZTESA-N 431.537 2.197 30 10 IEEE C=CCC[C@@H](NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1ccc(C(F)(F)F)cc1 1679303666 AWIXRDPWGVIWKU-HZPDHXFCSA-N 432.468 2.257 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)N2CC[C@@](F)(C#N)C2)CC1)C(=O)OC(C)(C)C 1684007118 NCUJYFZMWQOCHO-OAQYLSRUSA-N 439.532 2.272 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc([C@@H](C)CC)cc2)CC1 1686633959 GRHJIDXZUZFSKY-IBGZPJMESA-N 434.606 2.171 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O)c1ccc(Br)cc1 1686919675 KCFCGKYUDYTWMZ-VCBZYWHSSA-N 433.306 2.286 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCSCCCO 1689848199 QIGUXGWVRMBWCX-MRXNPFEDSA-N 440.573 2.248 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(F)cc1 1689999694 GUMABEVWBNRMGI-MRXNPFEDSA-N 431.537 2.078 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCOCC1 1690062263 IUJAEZZHFHULSO-HNNXBMFYSA-N 435.370 2.464 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1nc(C)no1 1690098819 WNYAYOPTLNENEI-UHFFFAOYSA-N 438.488 2.127 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690174998 NVOUWBXSBNURQE-OAHLLOKOSA-N 431.522 2.095 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1690428401 OTNFDVILSLIPMH-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCCO1 1690672364 PWOCSVRCYWPVDU-APWZRJJASA-N 427.505 2.098 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1C[C@H](F)C1 1692538918 OHRUDENFGSHCRH-SAABIXHNSA-N 440.527 2.148 30 10 IEEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1696714448 OAHFCJCZHWWSIP-LJQANCHMSA-N 446.515 2.070 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705513148 BPBILRNJSHGKDI-UHFFFAOYSA-N 435.576 2.278 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1705514677 FLTADTKPHVQQLE-QGZVFWFLSA-N 447.543 2.145 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1705547655 LPBXDLYNOWHXTR-UHFFFAOYSA-N 441.532 2.094 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705566632 PVYUOJVGVYCNBL-DLBZAZTESA-N 428.562 2.188 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCS(C)(=O)=O 1705585681 IGSKRRCSSBIGOZ-UHFFFAOYSA-N 428.558 2.406 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)COC2 1705622918 ZPBKPCAANJYJNA-XMMPIXPASA-N 440.544 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)cc2)CC1 1705649948 IJYMMXDXEMLQCK-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CO)CC1 1705736293 QAIKVXTVDTYMQW-UHFFFAOYSA-N 448.593 2.040 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705804309 WSGQYSXAWQJBHW-GOSISDBHSA-N 437.552 2.433 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705832044 LOGXPTOOYGUSQT-SIKLNZKXSA-N 430.553 2.117 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1705879713 IXXRLFLRHSNZAF-HNNXBMFYSA-N 448.574 2.217 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COC)c2)C1 1705914350 LZUHUNHWHDRJKA-HXUWFJFHSA-N 425.533 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CC)C1 1705931732 YQVRQTWCKVOGPA-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1706337059 HSCLQVKIBYCSES-LJQANCHMSA-N 431.562 2.360 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(F)CCC2)C[C@H]1O 1711460612 LSAPDJDTJGZIIL-QZTJIDSGSA-N 427.480 2.459 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)(F)F)C1 1712691839 FNZPDWVSLJWEOD-HNNXBMFYSA-N 443.451 2.367 30 10 IEEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1722321075 UUOGJFHLXDMCND-UHFFFAOYSA-N 445.589 2.359 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)COC(=O)N2 1722321078 UXNMRBOXNJWQOS-UHFFFAOYSA-N 442.545 2.152 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722344749 BFKJYQONYXXJFW-PMACEKPBSA-N 438.557 2.090 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)N(C)C)c1 1722357130 QHISBKSSVNMBNR-UHFFFAOYSA-N 436.541 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](OC)C(C)(C)C)CC1 1722448979 JWNIFQGTJLLFLK-HXUWFJFHSA-N 438.576 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](F)COC 1722467816 FWRSRSUHWAVOAH-DYESRHJHSA-N 449.552 2.172 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1722473567 FSNJFRHKZSSLIU-HXUWFJFHSA-N 437.635 2.306 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1)C1CC1 1722646238 FQBIHVIKXCKCGY-YWZLYKJASA-N 425.599 2.374 30 10 IEEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722646905 YOCCANBZFNBUGD-LJQANCHMSA-N 440.928 2.442 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722706449 SFRWRVLLLDSFCG-LJQANCHMSA-N 442.539 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1722731764 RGNOAJREGLTRQV-FXAWDEMLSA-N 426.583 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1722750172 LJERJMQDVHIMLG-OAQYLSRUSA-N 432.546 2.171 30 10 IEEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728955730 WNPSCJLTOJZZQW-NQDNANIMSA-N 444.536 2.051 30 10 IEEE CN(C)C(=O)CCn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1729306508 DCVNGFYFHFLUPC-UHFFFAOYSA-N 435.576 2.293 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1730132074 LNDDBPOSMIUQQN-IEBWSBKVSA-N 427.505 2.161 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCSCCCO)CCN1C1CC1 1731187277 LMOUXKQXDLVIIY-SFHVURJKSA-N 432.619 2.223 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1740553375 RNJBFFYLSIEVRW-FUHWJXTLSA-N 443.573 2.403 30 10 IEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1740627727 JZSZWIYGLMPIHA-IBGZPJMESA-N 446.573 2.137 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC1 1740653402 LHCRSDJMHBEUPN-UHFFFAOYSA-N 430.512 2.053 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@@H]2C[C@H]2C(C)C)CC1 1740700611 DNEVWIHQYDZJQX-RBUKOAKNSA-N 428.581 2.379 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCC2)CC1 1740700681 FIHZKGGPEWCNOT-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(C)c2)CC1 1740709906 OCZBXRKHPYNFEY-UHFFFAOYSA-N 440.617 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](CC)C1 1740959364 SPQXFTRYYICCLU-CQSZACIVSA-N 439.545 2.228 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@](C)(O)C1CC1 1747187252 GAIYJUDUZLCPTP-JOCHJYFZSA-N 428.512 2.313 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)cc1 1748723236 INZKFFFWDZUFJH-MRXNPFEDSA-N 434.500 2.252 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748824809 TUHNCCZXAUFQMU-OAHLLOKOSA-N 442.463 2.355 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1748857842 GFBIPEJWOSPVIK-RBUKOAKNSA-N 443.548 2.084 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 1748984177 HQNFMWRPPHOMLO-HOYKHHGWSA-N 439.560 2.269 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749038029 MWMOGZDFNLKUIE-UHFFFAOYSA-N 441.605 2.054 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C[C@@H](C)O1 1749545947 DJFOARDCBQZZMF-UIFIKXQLSA-N 441.532 2.252 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1749590942 JTWSIRVMZRSEFG-KRWDZBQOSA-N 442.545 2.388 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1749669494 LKMMUKRXUMUQQD-SFTDATJTSA-N 438.576 2.043 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1750948287 HIHLXSOOHHCHKR-KKSFZXQISA-N 449.481 2.439 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1751000567 ARUHAAQMWFCBMV-UHFFFAOYSA-N 430.578 2.218 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1760129421 MSVRKBCVMRIISG-UHFFFAOYSA-N 428.562 2.244 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1760135455 WONYFZPKNXUAOX-UHFFFAOYSA-N 448.531 2.249 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1760228138 WGMZGGHSUWBUJM-QGZVFWFLSA-N 429.496 2.266 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)CC1 1760260319 OJKRJAPBVAGRQD-UHFFFAOYSA-N 428.591 2.073 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760260679 BRQOSGKAERFMSC-GBXCKJPGSA-N 425.577 2.452 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](COC)C1 1760279672 HWSQYZBBNZPILY-INIZCTEOSA-N 448.618 2.077 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCC(N)=O)CC1 1760320466 XOKRIJJFYGVFRO-OXJNMPFZSA-N 429.521 2.298 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1760412613 OQXRWDLICJTMTJ-BBWFWOEESA-N 437.610 2.306 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1760456816 XXKONKBANPIHCA-KRWDZBQOSA-N 447.609 2.334 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1760464910 RQZVMHABOZSZHJ-KRWDZBQOSA-N 439.969 2.243 30 10 IEEE C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1761396540 PCMSSDNWCCTDCM-ZDUSSCGKSA-N 438.923 2.479 30 10 IEEE CCOCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766595180 FAOJZEZPVUFUQH-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C#N 1766679000 ABMDNBBVJBMMFK-LLVKDONJSA-N 429.344 2.066 30 10 IEEE CCOc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1767523709 KMNBVUJYNVCNDF-ROUUACIJSA-N 427.505 2.356 30 10 IEEE COCC1(C)CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769304108 IGBSZZQPXMDUJA-CZIZESTLSA-N 428.537 2.325 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)C1 1771528610 CHNFRSXIIZJXNL-PGRDOPGGSA-N 426.496 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC[C@H]1C 1772516540 KVFXSXBHCMTTRS-HXUWFJFHSA-N 437.544 2.049 30 10 IEEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(C(C)C)no2)cn1)[C@@H]1CCN(C)C1=O 1850380219 TYROOOMUBGLNQM-QGZVFWFLSA-N 435.488 2.300 30 10 IEEE CS(=O)(=O)c1ccc(Cn2cnc3c(c2=O)CN(Cc2ccccc2C#N)CC3)cc1 1851280644 XDEHEALVYMMPTC-UHFFFAOYSA-N 434.521 2.125 30 10 IEEE Cn1c(=O)ccn([C@@H]2CCCN(C(=O)c3cccc([C@H](C#N)c4ccccc4)n3)C2)c1=O 1852939389 IMLYYQAOYBWPSW-RTBURBONSA-N 429.480 2.075 30 10 IEEE CCN1C(=O)CN(CC(=O)N(Cc2ccccc2)c2c(C#N)c(C(F)(F)F)nn2C)C1=O 1853053516 UAWAMTDDRWUDRQ-UHFFFAOYSA-N 448.405 2.128 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)[C@@H]2CCCOC2)c2ccccc21 1853896758 ZBJWQACGTWEFRN-MRXNPFEDSA-N 425.466 2.053 30 10 IEEE Cc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855739285 RVGMMXUDJHSCIT-KRWDZBQOSA-N 425.510 2.248 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc3ncsc3c2)C1)[C@@H]1CCN(C)C1=O 1857076146 AHDGFHGLPXMZQC-MAUKXSAKSA-N 426.542 2.394 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1 1858670505 UWVULDFFWXEQMU-UHFFFAOYSA-N 426.376 2.247 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)Oc1ccc(Cl)cc1Br 1861663645 OMVGCIMTJSCURM-SUHUHFCYSA-N 431.714 2.134 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862691070 XLSFRVRZDYMBHP-VOJFVSQTSA-N 428.397 2.268 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C)nn2CCC 1865223991 JQDPBPNLXKVEHJ-LJQANCHMSA-N 426.517 2.312 30 10 IEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(-n4cccc4)cc3)cc2C1=O 1870153950 JLFMIECGIXMVPC-UHFFFAOYSA-N 437.419 2.408 30 10 IEEE C#CCOc1cn(CCN(CC)CC)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871008051 DPLXNXFZGTWKBA-UHFFFAOYSA-N 436.512 2.040 30 10 IEEE C=CCN(CC=C)c1nc(=NCc2ccncc2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711568 HGYVEJDUDMFYQC-UHFFFAOYSA-N 431.500 2.416 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccncc3Br)CC2)CC1 1889311820 LMLFXBGLPPDHPS-UHFFFAOYSA-N 449.393 2.106 30 10 IEEE Cc1cccc(CS(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1889658415 XLEZLVKDVCZIPU-UHFFFAOYSA-N 447.645 2.335 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN=c1[nH]c(C)nc(I)c1N 1991580615 CULZHMNQBZNDJZ-UHFFFAOYSA-N 433.294 2.277 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCn1ncc(Br)n1 2124454264 QDZFWUXOCNZYKR-GFCCVEGCSA-N 429.319 2.134 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2224097673 MTFZKZQPGZPCAT-NVXWUHKLSA-N 433.358 2.093 30 10 IEEE C=CCCC1(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2243167461 GTNSNKQLXCDYQS-OAHLLOKOSA-N 427.542 2.192 30 10 IEEE CN(CCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243388911 FEHFDXGXOIEVSF-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243416607 HOUSCLGESMMVEV-OAHLLOKOSA-N 430.376 2.493 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396445 ZGDMIYRLCOEPMF-DOMZBBRYSA-N 437.371 2.314 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCNC(=O)OC(C)(C)C 2255621865 RTAWEIHDPUDXIL-UHFFFAOYSA-N 436.362 2.237 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](C)CN1C(=O)OC(C)(C)C 2255632999 VEUIVLJAKVZMFF-KBPBESRZSA-N 434.346 2.179 30 10 IEEE C=C(CN(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256616717 DEOZENOZTVMSEQ-INIZCTEOSA-N 434.346 2.492 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2267091451 IVVXKFWOACUSTF-RCDICMHDSA-N 448.373 2.332 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267132358 OOMQUTOWGRXZBT-JKSUJKDBSA-N 448.373 2.285 30 10 IEEE CC1(C)C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267144990 AUNJLLKTVPNIJM-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268634030 VXOQCROAPTZHPS-WMLDXEAASA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2268638711 VGBPNEIRTWGTMB-UHFFFAOYSA-N 449.332 2.272 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)COCCNC(=O)OC(C)(C)C 2268640730 YRXJRNADNMKXOF-UHFFFAOYSA-N 448.369 2.486 30 10 IEEE COC(=O)C1=C(C)NC(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C1=O 2294034707 ZOJYRJRQXGLFOL-UHFFFAOYSA-N 437.452 2.112 30 10 IEEE COc1[nH]c(=N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2317503208 KKPODSQCWDMCGI-UNEWFSDZSA-N 431.342 2.231 30 10 IEEE COc1nc(N2C[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786937 UBUNQQJUICDVFQ-JKSUJKDBSA-N 449.357 2.118 30 10 IEEE NN[C@H](C#CC1[C@H]2COC[C@H]12)c1cc(I)ccc1Br 2341638713 XUBHEVVEWVEVQB-YRGRVCCFSA-N 433.087 2.454 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2352398011 MGISNERYQINHCQ-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(c3ccc(-c4ccc5c(c4)OCO5)nn3)CC2)cc1 13665099 YEOSOLSKWXBTSO-UHFFFAOYSA-N 443.463 2.472 30 10 IEEE O=C(O)CCc1nnc(S)n(/N=C\c2c(O)ccc3cc(Br)ccc23)c1=O 169883580 QUUMYZBIRCEYHI-UWVJOHFNSA-N 449.286 2.448 30 10 IEEE O=C1CC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c2ccccc21 254394506 YCMBDEIYVXPSKD-UHFFFAOYSA-N 430.442 2.018 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)CCO1 409488624 YAGQSZHXIKYHIT-WMZOPIPTSA-N 437.566 2.231 30 10 IEEE CS(=O)(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443336622 WBZFJMXTBSOGTL-UHFFFAOYSA-N 442.335 2.237 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 478752036 CDRDQMWDLKIUKL-AWEZNQCLSA-N 449.463 2.002 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1 482723721 QDVUYHNRPSDDEJ-UHFFFAOYSA-N 431.543 2.108 30 10 IEEE CCn1c(=O)c(C(=O)CNc2ccc(C#N)cc2Cl)c(N)n(Cc2ccccc2)c1=O 486572764 GZJKVTVKFGYNHS-UHFFFAOYSA-N 437.887 2.480 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3sccc3C#N)CC2)cc1OC 494314190 GDBMBOBCOBIKPL-UHFFFAOYSA-N 449.554 2.468 30 10 IEEE Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(=O)CC#N)CC3)c2)cc1 503628727 NUQNNTWBVZVDEK-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516830401 YJKQELKSOCOSIB-UHFFFAOYSA-N 449.532 2.134 30 10 IEEE COC(=O)c1sc(NC(=O)C[S@@](=O)Cc2cccc(C#N)c2)c(C(=O)OC)c1C 526903606 QOQASQOBWSFCFP-LJAQVGFWSA-N 434.495 2.389 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)CNC(=O)C4)n2C[C@@H]2CCCO2)cc1 549517130 OBHPXCMPZABEIF-IBGZPJMESA-N 436.516 2.014 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1 551486215 GOGFFPOOCDZVJN-ROUUACIJSA-N 441.534 2.359 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 556342592 WUWAVDAVZNKLHL-UHFFFAOYSA-N 443.909 2.046 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CCN1Cc1ccccc1 567243748 KFXASWZCWUBZKP-FCHUYYIVSA-N 447.539 2.086 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 579163746 AWZPZNVGQYPCCA-UHFFFAOYSA-N 439.603 2.314 30 10 IEEE C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](c2ccccc2)O1 587665313 NFXKKNAZAIAWCY-LAUBAEHRSA-N 433.512 2.027 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 596229839 PWPSEGLVCZFJII-UHFFFAOYSA-N 433.574 2.452 30 10 IEEE Cn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)nc2n(C)c1=O 603534202 DJBNIHLAMFZSSQ-UHFFFAOYSA-N 425.448 2.351 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 619774931 DRCTYESYPLRTJQ-UHFFFAOYSA-N 435.937 2.269 30 10 IEEE C=CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669814311 BQAYKMNEHSJZEB-UWJYYQICSA-N 426.540 2.183 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 735332566 BPFHIDLBRBOHBQ-UHFFFAOYSA-N 433.873 2.414 30 10 IEEE Cn1c(=O)c2cc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)n(C)c2n(C)c1=O 739749187 DAMGVOZRALEQTD-UHFFFAOYSA-N 433.493 2.106 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 739836179 CLAHEDUZWIDAMV-KDURUIRLSA-N 435.576 2.205 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cc2)c1=O 748066255 SVIRIQPKQCGKEK-UHFFFAOYSA-N 447.354 2.191 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(Cl)cc2)C1 760299434 MAPOHMRTMGWPKK-GJZGRUSLSA-N 437.953 2.211 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)c12 763425131 DENZAXGFSAGXGJ-UHFFFAOYSA-N 443.467 2.235 30 10 IEEE C#CCN(C(=O)NC[C@H](C)Oc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 774235854 MQMUEXBNBVCGGG-UONOGXRCSA-N 429.336 2.048 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@@H]3C[C@H](O)c3ccco3)C2=O)cc1 780895157 XNBVWXYSCLUYAV-UFYCRDLUSA-N 438.484 2.181 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)cc2C1=O 785219794 WBJQKWWUFRVCIL-UHFFFAOYSA-N 444.513 2.057 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)ccc2Br)n1 788694407 PHACNHYTRSHYDW-UHFFFAOYSA-N 430.299 2.255 30 10 IEEE COc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1C#N 801044513 WRYDYMZMAMSPFG-UHFFFAOYSA-N 440.884 2.137 30 10 IEEE CC(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802674377 IRSFEWITPIKEJT-HXUWFJFHSA-N 435.580 2.285 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1 803465554 DWAFRUIAHZCOMY-DRWCXGJLSA-N 441.528 2.256 30 10 IEEE C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@]1(C)CNC(=O)OC(C)(C)C 810807511 UNYQTJLFHOVBRO-OPAMFIHVSA-N 449.573 2.482 30 10 IEEE C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775315 PPLZLIVHNNBDPF-CYBMUJFWSA-N 435.502 2.404 30 10 IEEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1132033974 ADBNKEYASASWRQ-HNNXBMFYSA-N 446.456 2.292 30 10 IEEE N#Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)ccc1N1CCC(O)CC1 1137499301 XKMATQHECHBEOC-UHFFFAOYSA-N 449.433 2.446 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)n1 1156254190 LTSLNIVWDDXREH-CYBMUJFWSA-N 430.310 2.288 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)OCC 1213546978 YCBHCCGAKHNPJS-CQSZACIVSA-N 434.308 2.412 30 10 IEEE C=C(C)[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(F)c(F)c1 1226662232 XUUOQYRWWOVDAI-NRFANRHFSA-N 430.455 2.314 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1248591531 PZEDUECLSGDBJA-UHFFFAOYSA-N 447.539 2.222 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286350026 SOYRRDUUERBLNU-GOSISDBHSA-N 443.573 2.285 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1286388878 WJOZHTQNZWHHSQ-QGZVFWFLSA-N 444.557 2.389 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286389422 JVPBUIWINOESAA-VQTJNVASSA-N 428.558 2.040 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1cccc(C)n1 1286402990 GJENYVKJACQSLQ-UHFFFAOYSA-N 437.511 2.330 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC[C@H]1CC 1286404651 VFJLDAZQMCKMMC-OAQYLSRUSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1286430943 QLABDETVBWNWTK-SFHVURJKSA-N 427.549 2.380 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286459286 MGSFKOWCALAEAH-NRFANRHFSA-N 434.544 2.260 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1286494885 VABFEJIIEVAVGJ-UYAOXDASSA-N 436.560 2.045 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286559490 WZADCERRAGLGJR-FXAWDEMLSA-N 439.626 2.366 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N2CCCC2)CC1 1286638054 SWTDXUGTNCRHBC-QZTJIDSGSA-N 448.593 2.475 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)C(=O)C1 1286708190 NNHXLJUJGHWXOC-UHFFFAOYSA-N 449.353 2.439 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N1CCOCC1 1286729713 YOJFTAARWNFGRG-KRWDZBQOSA-N 430.578 2.158 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1286757411 NGRKYBJXYPDQQE-INIZCTEOSA-N 432.594 2.265 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1286819411 JTBXSLGJNJQFBN-NEWSRXKRSA-N 443.573 2.212 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1286951482 WWEJXEGIWJDZRA-UHFFFAOYSA-N 434.504 2.418 30 10 IEEE Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1290721694 YQZUMDVUVHRURS-PMACEKPBSA-N 428.562 2.299 30 10 IEEE CCCCOc1ncccc1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294376390 JNTVRNKQUGNZFG-UHFFFAOYSA-N 449.563 2.449 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2Cc3ccc(C#N)cc3C2)cc1 1299941590 VXOFRCCWCSBOQI-UNMCSNQZSA-N 439.537 2.348 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2cccc(C#N)c2C1 1300168520 NVUHCENHTWEJFQ-HXUWFJFHSA-N 441.509 2.130 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1300357073 IOTNBOFQFOFVKT-HXUWFJFHSA-N 434.544 2.432 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300709680 AVDZNPYCRRVRIQ-FQEVSTJZSA-N 437.466 2.020 30 10 IEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS(=O)(=O)CC1 1300750752 BBIHFBJEZVUWBP-UHFFFAOYSA-N 427.555 2.095 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2CCCC[C@@H]2C1 1301515351 SQMMRUMKULFRFZ-HXUWFJFHSA-N 438.576 2.396 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1304273840 QINPOLIJAFMCCF-QZTJIDSGSA-N 438.532 2.296 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306293771 PUBCAAQPCYEWIN-ZBIUQXJRSA-N 428.537 2.323 30 10 IEEE CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1308166659 BIQVIJXBUOZTFC-RUYXUALKSA-N 436.516 2.480 30 10 IEEE COC1(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CS(=O)(=O)C1 1354039366 ZYZUCJHBNGXFTR-UHFFFAOYSA-N 445.444 2.376 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1358873979 QNPZLECAZUSXLJ-DVECYGJZSA-N 439.560 2.435 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1C 1358930060 NLWWTFNYOVQLPF-FQEVSTJZSA-N 445.589 2.359 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1359001752 CDINLQURALOOKW-HNNXBMFYSA-N 445.321 2.155 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCn1cc(CO)nn1 1359002438 ZDBRDHOMTGNKFU-UHFFFAOYSA-N 444.337 2.341 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1359043978 PPTKQZSPKKLSFM-CQSZACIVSA-N 428.562 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1=O 1359063016 BDECCUISDWGRAG-HSZRJFAPSA-N 435.532 2.320 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1359176432 YMKAGMSIFDTTHH-UHFFFAOYSA-N 449.577 2.256 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359214301 ZCALQPLCGHGKQG-UHFFFAOYSA-N 446.559 2.140 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359216165 QFHGFNLHESPFMO-HXUWFJFHSA-N 445.589 2.400 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359218899 ZDKBKWHQXCLYSW-SFHVURJKSA-N 443.577 2.367 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359222882 VFMAAVSUNCTUGG-ZNMIVQPWSA-N 435.541 2.209 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1436971409 VLVZAYYFPRJNDO-OAHLLOKOSA-N 433.555 2.403 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)c3cccc(C#CCO)c3)C2)nn1 1450872918 XRUWSOJUQWDIKK-FQEVSTJZSA-N 439.516 2.124 30 10 IEEE N#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)s1 1451750965 ZVYMDIAWVKFNLP-UHFFFAOYSA-N 428.333 2.367 30 10 IEEE COC(=O)[C@H]1Cc2c(Br)cccc2CN1C[C@H](O)CC1(C#N)CCOCC1 1460167395 GHEHADPWKFZOLE-CRAIPNDOSA-N 437.334 2.420 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(O)(c4ncnn4C)CC3)c2C#N)C1 1460750290 FGCRNJCJBFBROW-CQSZACIVSA-N 428.562 2.185 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC 1464514950 FQZOLBCRYOASOR-ROUUACIJSA-N 442.578 2.383 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1468801460 BRTWXXUGPQEDLI-MRXNPFEDSA-N 432.521 2.351 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCOCC(F)F)CC2)c1C#N 1492727899 LVZZJNRPDQOEBZ-UHFFFAOYSA-N 434.495 2.068 30 10 IEEE CCN(c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1501636520 MCNZCNAVVBEWJE-QURGRASLSA-N 436.516 2.393 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)CC1 1503888816 GKWCLYRMDNHEPW-UHFFFAOYSA-N 433.472 2.157 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1507513508 AEXFVMFRXSUEPN-ULQDDVLXSA-N 431.562 2.303 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(=O)NC(C)C)c1 1507549595 IMNIWIKRZGPNOS-UHFFFAOYSA-N 434.500 2.427 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1507631316 NXSWOQASTRPKBI-KRWDZBQOSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507633868 KFXRAGXXRSSYPA-DENIHFKCSA-N 448.564 2.150 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1507650727 RPWCNTDHGGLYNO-IFMALSPDSA-N 447.539 2.411 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1CC 1507680754 MLXQIWKAYZWCAG-LJQANCHMSA-N 444.605 2.139 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507712387 FXAGDNBZZCKAFZ-AQNXPRMDSA-N 433.597 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507809997 YBPAXYVXOLUOEK-OTWHNJEPSA-N 440.610 2.413 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507961564 BUAYRGSJSXEUDL-GOSISDBHSA-N 429.569 2.402 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1508075941 QWGIRUPJEAYDGM-ZACQAIPSSA-N 432.569 2.397 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCCCC2=O)CCOC1 1509788163 IIGYVEGPILKKNU-XMSQKQJNSA-N 432.569 2.460 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCC(C)(C)O)o1 1510817044 FKPZCGTUFPZQFB-OAHLLOKOSA-N 436.520 2.384 30 10 IEEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1511595067 HYRHLPJRGXPFOR-OXQOHEQNSA-N 448.597 2.004 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1517589516 CNBKQQGASFTJSO-UHFFFAOYSA-N 434.422 2.301 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)C 1519449758 SZJCODLBXIEKQZ-OALUTQOASA-N 425.537 2.251 30 10 IEEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 1522422150 ROZHONAQQLOUIZ-LJQANCHMSA-N 426.517 2.482 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 1528714076 CINNBPLVTLZECL-GOSISDBHSA-N 428.510 2.395 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCc3c(CC#N)cccc3C2)c1 1530867937 JVOMMYGVDXHPRQ-UHFFFAOYSA-N 431.539 2.367 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1539076964 YXRNJFJHIGNVHK-UHFFFAOYSA-N 426.540 2.070 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1539251037 XCZDFRDCMPEWBV-VLIAUNLRSA-N 447.308 2.459 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1539752118 CLONWYYXKWSGRH-UHFFFAOYSA-N 437.548 2.072 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1539939948 MHDBNOMHBWAQMH-MISYRCLQSA-N 436.560 2.299 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1540121735 MHQOBLNCNKRMIV-IBGZPJMESA-N 449.515 2.136 30 10 IEEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1540861404 PJRXCIIYKRAVFO-XMMPIXPASA-N 439.560 2.316 30 10 IEEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1540878487 YNMFLNWJEZUYGQ-INIZCTEOSA-N 431.562 2.239 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C(C)C)C1 1540885206 DINMRINZCXBBOL-GOSISDBHSA-N 428.493 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540898039 YKNJRVKSXXJHIZ-OAHLLOKOSA-N 438.554 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1540904106 KRGMEORVKFLQMM-UHFFFAOYSA-N 425.505 2.046 30 10 IEEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1541256264 RVLYYUDMRXSXKZ-GOSISDBHSA-N 436.582 2.097 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H](C)O1 1544713103 HTLMUYRSTNBKQT-IYBDPMFKSA-N 429.546 2.255 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1548004557 AUUNKBWQISQVMN-FUHIMQAGSA-N 427.505 2.410 30 10 IEEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)C(C)(C)C 1554630095 BRFONGHYOGXIIX-QAPCUYQASA-N 448.593 2.457 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1555353488 HZFZINFJTCEQAR-QUCCMNQESA-N 427.505 2.007 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1555637462 RWEVHYNHYBMBBP-ODMYBACJSA-N 449.552 2.371 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@]2(O)CCOC2)cc1 1555988536 GBBNCMWSVMABNY-LJQANCHMSA-N 430.306 2.457 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1558632558 GOALJEARDFQTRP-UZUQRXQVSA-N 446.523 2.402 30 10 IEEE C#CCN1CCN(C(=O)CN2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)CC1 1560004675 LZFMRSPNVWXYOM-UHFFFAOYSA-N 426.561 2.241 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 1562452806 PQPKJLOJHYJRHE-UHFFFAOYSA-N 442.560 2.202 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1568894502 LINFTRCTSHSALI-UWJYYQICSA-N 430.476 2.020 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(cccc3NC(C)=O)C2)s1 1570812078 QIORUKNNBWPFFK-UHFFFAOYSA-N 433.555 2.298 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3)C2)C1 1584531304 VKFOKHZWIXSYRA-PYQXHLOTSA-N 438.528 2.473 30 10 IEEE C#CC[C@@H](COC)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1586385488 GKTUVCPCPNMYPH-KRWDZBQOSA-N 434.492 2.137 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588058702 ARMOZINFICWWMN-RBUKOAKNSA-N 435.638 2.224 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ncnn2-c2ccccc2)CC1 1588891182 MNRJCUYVXPFXPX-SFHVURJKSA-N 446.559 2.386 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@H]1C 1589185654 FTWHZSSLYHFFNN-PBNUPURSSA-N 426.517 2.494 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1589721910 HVAGESFDVMROLA-UHFFFAOYSA-N 445.520 2.018 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1593712117 SJGDFIOKSCPWCQ-QGZVFWFLSA-N 449.577 2.013 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCC[C@@H]2CO)CC1 1594009672 PALTUSPRACBTFJ-LJQANCHMSA-N 439.564 2.319 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594733512 URBFGVIUPZKNQZ-IRXDYDNUSA-N 448.568 2.220 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C)[C@@H]1C 1595550309 CGDOHJKMKWQNEO-MPGHIAIKSA-N 429.546 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1595664855 LJIPCTHSJGPVKX-GBESFXJTSA-N 448.612 2.085 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN2CCN(C(C)=O)CC2)C1 1595707019 RKPMTIHGLCTSAE-LJQANCHMSA-N 442.539 2.030 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(C)C 1617267307 COENBKVQKUQENW-QGZVFWFLSA-N 432.594 2.416 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1618126210 HWMOPBGBJVRVPN-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)C[C@@H]1C 1619938699 COTJOZGAUNGMRZ-SFHVURJKSA-N 434.548 2.179 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1619990026 MOTDQZJVZNELJV-VFNWGFHPSA-N 448.474 2.013 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(C#N)CCCC3)CC2)o1 1628342360 UHLRHRWGKULGMR-UHFFFAOYSA-N 437.518 2.057 30 10 IEEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1628391918 RXTMNABXGACKOY-YVEFUNNKSA-N 441.431 2.359 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2cc(C#N)ccc2F)cc1 1628775628 HCGKGGYUEGZXJB-NQIIRXRSSA-N 445.516 2.261 30 10 IEEE COc1ccc(-c2noc(CN3CCN(C(=O)C4(C#N)CCSCC4)CC3)n2)cc1 1629199443 LBTOQLQOCXPHSR-UHFFFAOYSA-N 427.530 2.426 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)CCOC1 1629774612 QJLLKKANBUBZBF-RUZDIDTESA-N 449.507 2.227 30 10 IEEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CCOCC1 1629804377 ZCUQBTDYFOGMJH-GOSISDBHSA-N 433.574 2.479 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(C)(C)[C@]1(O)CCOC1 1630826549 LRBMTBGVZIVKHA-IBGZPJMESA-N 441.322 2.392 30 10 IEEE COC(=O)[C@H](COC(C)C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1631689690 HOTFJWPHLVTFEZ-JBLFJGJOSA-N 437.537 2.198 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)c1cc[nH]n1 1632752707 HCYJZLIKBDZRJA-UHFFFAOYSA-N 446.467 2.349 30 10 IEEE C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1633092511 TYGPABJBWXOOMK-GRJHGRLYSA-N 434.581 2.077 30 10 IEEE COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OC(F)F 1640925286 DZBPNODUOAPCCL-NSHDSACASA-N 425.413 2.474 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O 1641749545 LTFRPVGCKQNHQT-KSFYIVLOSA-N 436.508 2.165 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)c1 1643840125 HOGHBAFKKIFDLZ-UHFFFAOYSA-N 437.437 2.263 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(C#N)CCCCC3)CS(=O)(=O)[C@@H]2C1 1645582571 YYALSVXBYLEZJE-BRWVUGGUSA-N 439.578 2.247 30 10 IEEE Cn1cc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2(C)C)cn1 1645905422 CGKLBXJVJFEERK-OALUTQOASA-N 426.590 2.316 30 10 IEEE COCCN1C[C@H](C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1=O 1645929652 OYPRMXNNKLHEGD-UTLUCORTSA-N 438.315 2.111 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 1648353753 MAXFPKCMWFMYCN-NXHRZFHOSA-N 435.546 2.421 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 1652713948 HBGNHNDHASOVCF-IBGZPJMESA-N 427.526 2.145 30 10 IEEE C#CCC[C@@H](O)CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1661615227 ZGMDHRQNFWXTNM-XPWALMASSA-N 430.545 2.487 30 10 IEEE CC(=O)N1Cc2ccc(S(=O)(=O)NC3(c4cccc(C#N)c4)CCOCC3)cc2C1 1670436442 AHRGLPXZGBOOAW-UHFFFAOYSA-N 425.510 2.405 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1684225714 HYLVQAMXHGINCN-BJKOFHAPSA-N 433.556 2.457 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[C@H]1CCOc2ccc(Br)cc21 1686854191 UWIBRJCXNVIWRG-CABCVRRESA-N 434.290 2.065 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1689912897 CQROTXMWHOTVAT-DYESRHJHSA-N 431.562 2.054 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)CC1 1689928435 OHSNSLKCPBTATH-LJQANCHMSA-N 444.580 2.475 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1C 1690250841 MDOHYDPGYHQNDP-DYESRHJHSA-N 427.553 2.060 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690312747 BWFKRXODLWPWMQ-MOPGFXCFSA-N 438.594 2.168 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690521064 OSEQWTCLOWOSBY-SFHVURJKSA-N 440.548 2.239 30 10 IEEE C=CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C)C1CC1 1690542170 DYEVNHALOQKPNR-UHFFFAOYSA-N 441.561 2.177 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)(C)CC1 1690668773 IOIOEXHOYJGJTC-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)OC(C)(C)C)C1 1690697176 PVEMLUBLJLNWOV-MRXNPFEDSA-N 429.525 2.431 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)F)c1 1690993629 OGPMNNYICWVHNR-OLZOCXBDSA-N 426.493 2.470 30 10 IEEE C[C@@H]1COCCN1CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1693856634 CSRYKVCPGUBETR-QGZVFWFLSA-N 428.512 2.457 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1 1697023295 GRUMZLKWAWHFDO-UHFFFAOYSA-N 441.344 2.265 30 10 IEEE C[S@](=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCC1 1698321303 FCJCWNYJZKXLDT-WYIRRWHOSA-N 435.500 2.177 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1705565703 JHPOLNVHSDXEKX-ZWKOTPCHSA-N 431.562 2.090 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1705664667 XRMVPFVEGSQVJR-GOSISDBHSA-N 441.557 2.481 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705694222 PNIXEHILFMQXLL-FXAWDEMLSA-N 445.568 2.234 30 10 IEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705832703 FZQCBPDEBQGPSJ-XHSDSOJGSA-N 434.459 2.362 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2oncc2C1)C(C)C 1705866832 AUYAKPURLPJZLS-OALUTQOASA-N 439.564 2.479 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1705931855 COLBDDGMCFBYLF-UHFFFAOYSA-N 430.490 2.419 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(C)(C)O 1706076664 BLPWXWGIMOWZDW-FQEVSTJZSA-N 439.608 2.400 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1706601115 CYSQEKMCQFHBKL-AVRDEDQJSA-N 430.553 2.275 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC#N)CC1 1710314184 BOEXYGKITMLRMA-UHFFFAOYSA-N 426.569 2.432 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1710336199 GEMAMABKLSSWHS-SFHVURJKSA-N 436.564 2.153 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 1710416009 GOLDMCHJLKQECP-XQBPLPMBSA-N 434.585 2.025 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1711130693 KBGZWDIUDHQESB-NKELODKYSA-N 446.552 2.425 30 10 IEEE C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1712841835 RFVIPUTXXVRLOQ-AXPGXWKTSA-N 438.507 2.384 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1722359746 AMZOYORZJBPRKR-IBGZPJMESA-N 439.516 2.463 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371282 IODKDCDBWLMMKQ-CEXWTWQISA-N 428.558 2.448 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1(S(C)(=O)=O)CC1 1722376417 NZBIXBOKFHWFHB-UHFFFAOYSA-N 447.358 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccsc1 1722387109 GLDXNRBTQWAKKM-JOCHJYFZSA-N 434.525 2.358 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722458172 DYIKAFGZZXHCSS-UHFFFAOYSA-N 441.605 2.292 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1722665202 LHDCDYICRJUIHM-PWRODBHTSA-N 442.608 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722694687 DVPWMZXTRFCTMF-QGZVFWFLSA-N 434.500 2.185 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)O[C@H](C)C1 1722706839 ZMOKRDSGLUHFAU-IAGOWNOFSA-N 429.521 2.172 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1723090011 JWSDUFRVQROZPQ-QUCCMNQESA-N 432.532 2.194 30 10 IEEE CC(C)c1ncc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1723132946 HAPZIIHHCCHEAO-UZYVYHOESA-N 436.520 2.232 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCNC(=O)C2CCC2)C1=O 1729593063 PJLGKIQLESDRIL-DEOSSOPVSA-N 449.559 2.038 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1730839952 IHPNBBKJKHMCTL-SXGZJXTBSA-N 440.520 2.357 30 10 IEEE CSCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1731132409 SEKVGGBVZSQSSE-INIZCTEOSA-N 437.577 2.413 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740625684 SECYJXHLIFUTMU-HKUYNNGSSA-N 432.615 2.442 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCCC1(C)C 1740688076 MFGYOUVJRFDTAR-JOCHJYFZSA-N 445.589 2.297 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCCC2=O)CC1 1740692324 IFZBCAUWRDMVIT-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1740932645 SFQNWSAVMUFWRB-KRWDZBQOSA-N 435.594 2.198 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740962581 HTSJMDMNSJNVIX-UHFFFAOYSA-N 445.571 2.389 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741419258 HAERPFGAIUCINF-ZWKOTPCHSA-N 426.521 2.379 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 1741726398 ZRAFWAUZPBONNQ-QFIPXVFZSA-N 432.569 2.363 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1741800414 UXDFDVPRDUMCJL-PBHICJAKSA-N 432.488 2.220 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(N(C)C)CCCCC1 1744688906 HFNUIGSWTSNTJZ-UHFFFAOYSA-N 439.612 2.345 30 10 IEEE CCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1746415361 BUODGOAWHIOVMW-FQEVSTJZSA-N 436.564 2.153 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1748950123 FDZDZEABZNTVNP-OFNKIYASSA-N 426.517 2.378 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 1749037865 HHUCQTGRUVQKSP-KRWDZBQOSA-N 434.587 2.192 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1749222156 AGOXZANXCCUUHP-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)COC)CC1 1749393159 MECJZYPUHYKBSC-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1)C(C)C 1749552433 BNJIXJDNNOZWKH-JOCHJYFZSA-N 444.624 2.360 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1749558367 UARKNEDUQAJEFG-UHFFFAOYSA-N 426.496 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1O 1749737188 YZUNXTXBIVUZFJ-UHFFFAOYSA-N 427.530 2.207 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1 1752175597 AFJGGYZOOGXMOP-MSOLQXFVSA-N 444.605 2.418 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760135582 ASNLRVTZTGFGCR-QFIPXVFZSA-N 445.571 2.436 30 10 IEEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760142789 MTIUZNOFWQHOGV-UHFFFAOYSA-N 430.597 2.143 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)Cc2ccccc2C1 1760218683 LBYQPKQSBILOJG-OAQYLSRUSA-N 436.581 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1csc([C@@H](C)OC)n1 1760221547 AVZDOBODPXGDCE-MRXNPFEDSA-N 426.546 2.076 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1760547598 NUDPYJXDSIBDFP-DKZVUGQWSA-N 432.496 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(C)C)C1 1760552829 BUHFMOHCFFXSQB-IBGZPJMESA-N 434.562 2.416 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1764460046 LUECAQRTNFSOTO-PMACEKPBSA-N 426.569 2.133 30 10 IEEE CN(C)[C@@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCSC1 1766908195 XPNRRPSFTWSDNF-QVKFZJNVSA-N 448.543 2.313 30 10 IEEE CN(C)[C@@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1766908197 XPNRRPSFTWSDNF-YCRPNKLZSA-N 448.543 2.313 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1767379869 DEVIRKOLKKBKLD-UHFFFAOYSA-N 449.563 2.046 30 10 IEEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(C(N)=O)CCOCC2)c1 1768791663 FBAAORIQTZMTNW-UHFFFAOYSA-N 438.532 2.366 30 10 IEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1769200753 HRJQDTCVUPSAHC-KRWDZBQOSA-N 448.531 2.224 30 10 IEEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1769332018 SILCKWYBNAQANO-GOSISDBHSA-N 438.532 2.228 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1769783423 CELZHUILPLVXCZ-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOCC(F)F)CCN1C1CC1 1770749481 YYRDYDRFOHRXLX-OAHLLOKOSA-N 437.882 2.452 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1770803320 SXBSVTFTNRCOKF-CDMIOBSGSA-N 445.495 2.097 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1 1771111915 ANTKSRFBHQRIHB-INIZCTEOSA-N 437.953 2.248 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)ON3C(=O)c4ccccc4C3=O)CC2)c(C)c1 1772790279 ADEQPJBUXKGJNU-UHFFFAOYSA-N 442.493 2.459 30 10 IEEE O=C([C@@H]1CC(=O)N([C@H]2CCc3ccccc32)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851944009 GOEKDEQVRMKQEP-HIFRSBDPSA-N 443.447 2.393 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2cn(Cc3ccccc3)nn2)cc1 1852136453 MRFRGZCPPPKVTF-DEOSSOPVSA-N 433.512 2.494 30 10 IEEE COc1cccc(-n2nc(C(=O)N=C3NN=C(c4ccccc4)CS3)c(O)cc2=O)c1 1859646221 HOOMPVBIDKDPFA-UHFFFAOYSA-N 435.465 2.184 30 10 IEEE CCOC(=O)N1CCC(N[C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860608500 STKYPCQBLBLUMY-QFIPXVFZSA-N 445.560 2.472 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc(Br)cc2)cc1 1860732340 FXDBGIQZFVYKIR-BJMVGYQFSA-N 437.315 2.038 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862676414 ILNJIKCSAMHFOS-GOSISDBHSA-N 427.388 2.448 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)COCCOC)sc2c1 1866108027 SIQKXSGQYRDWCJ-UHFFFAOYSA-N 425.532 2.261 30 10 IEEE CCCCN(CC)c1nc(NC(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1869984035 URUUBHNTYBPLJK-KRWDZBQOSA-N 430.534 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(Oc1ccc(C#N)cc1Br)C(=O)O 1889033395 NRRDQKOADKDCLR-GUYCJALGSA-N 427.251 2.446 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1985991382 NTRGRUTVJBMNJJ-XCLFUZPHSA-N 427.498 2.036 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625457 KJKKTLDNGCWPCS-HIFRSBDPSA-N 432.330 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060625669 MYHAZXSECAELEI-SJORKVTESA-N 432.326 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(C)(C)O 2141671526 ZCWGLLVCMJVVLH-QFIPXVFZSA-N 449.357 2.374 30 10 IEEE Cc1cnc(O[C@H]2CN(C)C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224123887 JYJYSEHDDMEYEV-IRXDYDNUSA-N 433.358 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H](CS)C(=O)O 2229103106 TZVWCDUERBDLCX-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247866156 HMAPLWCHPMFGKB-AWEZNQCLSA-N 440.371 2.005 30 10 IEEE C[C@@H](COCc1ccccc1)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247951327 IJDZTGQWSQAJTN-INIZCTEOSA-N 432.351 2.264 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248404193 KXWMIWCUWSTEHF-GXTWGEPZSA-N 440.371 2.110 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404513 MRZBUFJZBCNCAG-GFCCVEGCSA-N 440.375 2.139 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2255698570 JJPBOXZONBKVFR-HOTGVXAUSA-N 431.342 2.158 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255817822 BNYRZXXSPOLLOI-DGCLKSJQSA-N 430.232 2.250 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255872818 DUSQZAXMQZQPIL-LSDHHAIUSA-N 433.358 2.215 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255943549 XNDULAHEZFWLAK-UHFFFAOYSA-N 432.326 2.288 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H]2COC[C@H]12 2266062170 SKOYFHUMCUQMSF-BMFZPTHFSA-N 449.332 2.248 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2267099759 NLSPKZCVEVRCFE-MOPGFXCFSA-N 436.365 2.303 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267494484 SOEQZYMTZFLMPU-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267512384 GHYFZRXMTAEOSL-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1ccnc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267512489 GSUWSBCMKYWMAG-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE Cn1nc(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2267541760 IHUGTVOLTLEIHS-OALUTQOASA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267552275 RASLMTCUSBJJSE-INIZCTEOSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267587246 VGKVSYWZRUTQKV-QGPMSJSTSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2268649706 FMTIYJTVPFTQCM-CVEARBPZSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268670752 XSWJXJDNANHEQS-LSDHHAIUSA-N 447.341 2.249 30 10 IEEE CCn1cc(C(=O)NCCc2nccn2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282538425 GBKQZJAEANHGKH-UHFFFAOYSA-N 449.364 2.420 30 10 IEEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)CO)ccc3C2=O)c(OC)c1OC 2297474403 KYFJTUQDUHYAFF-ZDUSSCGKSA-N 443.452 2.204 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 10453270 WQAMCPUZOYXIGZ-UHFFFAOYSA-N 449.492 2.269 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccncc3)n2)c1OC 59311005 URANROSXGFAEBZ-LSHDLFTRSA-N 427.490 2.071 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccccc1 102487731 KQHUKPXKCHZRFF-GOBJLOIFSA-N 437.452 2.349 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccco1 102498258 UHOHETUAPRQXIK-HQMFNGAOSA-N 441.440 2.332 30 10 IEEE COc1nc(NN=Cc2cccc(OC(=O)c3ccccc3)c2)nc(N2CCOCC2)n1 254821510 RLRPLWBAYHXDGT-UHFFFAOYSA-N 434.456 2.382 30 10 IEEE CN(Cc1ccccc1)C(=O)Cc1noc(-c2ccc(S(=O)(=O)NCCC#N)cc2)n1 445684572 XBQLHPZDRWDACQ-UHFFFAOYSA-N 439.497 2.130 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 460367774 FXJJPCDVMUPUPZ-LJQANCHMSA-N 444.605 2.325 30 10 IEEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@H]1C(=O)N1CCN(CC#N)CC1 465142160 WWCGNKDFCHPDNL-KRWDZBQOSA-N 436.965 2.067 30 10 IEEE Cc1ccccc1O[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466170168 ILNVPEXLVANVIE-GOSISDBHSA-N 442.541 2.350 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1 480955803 HZPKREVGFSBTEM-RDTXWAMCSA-N 427.486 2.084 30 10 IEEE C[C@](O)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 481330953 FDMNCVCBJATZTH-QFIPXVFZSA-N 433.574 2.406 30 10 IEEE CCc1ccccc1OCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 505119935 LFDMMJLLOISECS-UHFFFAOYSA-N 427.526 2.423 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C5(C#N)CC5)cc4)CC3)C2=O)n(C)n1 506841887 SGOJCKAOIMADGS-OAQYLSRUSA-N 446.555 2.237 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 586297523 COEXSEDQNHNEOS-SSEXGKCCSA-N 441.534 2.482 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(C#N)cc1F)n2C 609228980 PINDWCGMVXFRNY-UHFFFAOYSA-N 443.504 2.083 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](COC)C2CC2)c1 749819802 WTCSEYGPAZOHAB-WOJBJXKFSA-N 442.585 2.092 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](O)C(=O)O 757279938 XZXZTYSDGKATFO-SFTDATJTSA-N 438.480 2.422 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(c4ccnc(C)n4)CC3)nc12 758981905 VBKZLPDOWVJRET-UHFFFAOYSA-N 448.556 2.244 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CCCCC1 760387177 AIGWRKXQHXEOAT-GOSISDBHSA-N 429.542 2.448 30 10 IEEE CC(C)[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)c2ccccc2C1=O 760400207 IABNJHNUOGVJOW-KRWDZBQOSA-N 431.514 2.227 30 10 IEEE N#Cc1cccc(N2CCN(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)n1 760911296 OZTVSDFGMBXROB-UHFFFAOYSA-N 438.557 2.143 30 10 IEEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 760967311 SELALANFGBXLBM-OAHLLOKOSA-N 435.546 2.086 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)/C(=C\c3cccnc3)NC(=O)c3ccccc3)CC2)n1 761035343 ACVXUHGDVAWSOY-CJLVFECKSA-N 438.491 2.468 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCOC[C@H]1C[C@@H](O)c1ccco1 763436221 JHGPGOBPQPVYGV-UYAOXDASSA-N 444.532 2.369 30 10 IEEE CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(S(N)(=O)=O)cc1C#N 774518529 UQHXNEIBQYFMMY-CQSZACIVSA-N 429.420 2.101 30 10 IEEE Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n21 780176123 GHNZIHLNLWYXOV-JOCHJYFZSA-N 439.472 2.195 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360591 KEINDHHWGGSJTC-UHFFFAOYSA-N 436.496 2.115 30 10 IEEE COc1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)ccc1C#N 810866029 QNMXTWKIBPCDPG-OAQYLSRUSA-N 444.850 2.443 30 10 IEEE CN1CC[C@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[C@@H](c2cnn(C)c2)C1 849516620 JAYGOIZPHHIDKN-RBBKRZOGSA-N 443.555 2.224 30 10 IEEE CSc1cccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)c1 916775733 ZPFUYCGCZDDLIH-INIZCTEOSA-N 429.523 2.279 30 10 IEEE COc1cc(OC)c2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)[nH]c2c1OC 916778241 UNNZLPIYQZLFRE-UHFFFAOYSA-N 429.454 2.325 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccccc1C#N 917798710 DCHAPFNWSDVXPA-UHFFFAOYSA-N 445.548 2.450 30 10 IEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc(O)c2)n1 1083969922 NBVBKVYVLYOLQE-UHFFFAOYSA-N 426.458 2.474 30 10 IEEE Cc1ccc(C=NNc2nnc(SCC(=O)NCCc3ccc(F)cc3)n2N)cc1 1084318812 AELJWCUMVAALHA-UHFFFAOYSA-N 427.509 2.336 30 10 IEEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 1116409879 IMIWSVLOGYMHTA-SFHVURJKSA-N 433.533 2.122 30 10 IEEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 1131460951 XUJHRTGCTLFNTR-IBGZPJMESA-N 445.585 2.183 30 10 IEEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cc(C#N)c(F)cc1C 1154148825 PSAROMBAGIFREM-QGZVFWFLSA-N 447.488 2.186 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1156592337 UMRGSPVKLDUDRK-MOPGFXCFSA-N 444.532 2.094 30 10 IEEE C=CCN1CC[C@H](N2CCC(c3n[nH]c(CNC(=O)OCc4ccccc4)n3)CC2)C1=O 1174883111 NZWDSNUVBSTKGB-IBGZPJMESA-N 438.532 2.197 30 10 IEEE N#C[C@@]12CN(Cc3cc(Cl)ccc3I)C[C@H]1CS(=O)(=O)C2 1176421746 HTXAMXMLDOWTFF-FZMZJTMJSA-N 436.702 2.315 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1225939055 VLOHHLHHKGLIIP-KSZLIROESA-N 435.569 2.030 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N(C)c2cc(C#N)ccn2)cc1 1269436237 DJERQPJZUIXDGA-IBGZPJMESA-N 426.498 2.362 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 1279053157 LYZDHFPBPWVBKM-UHFFFAOYSA-N 431.499 2.068 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(-n2cncn2)nc1 1286364851 LYIODEPWVRIWIO-UHFFFAOYSA-N 438.293 2.129 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc2ccccc12 1286457917 XCOBGNMQQBCGPJ-OAHLLOKOSA-N 447.586 2.237 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286496815 WABYXOPNLGXZPN-KRWDZBQOSA-N 440.573 2.215 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](COC)OC 1286525018 HRRQJEDDUGKQMN-WMZHIEFXSA-N 439.564 2.106 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1286567096 USXPZXKMXVBXOL-XXBNENTESA-N 439.560 2.379 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1286608863 UVLLRVMJXWVFEC-PXNSSMCTSA-N 441.532 2.346 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286700135 DNPBYKWEFCLYKQ-QGZVFWFLSA-N 440.552 2.101 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1288513775 IATMXCBQBSVNHT-MRXNPFEDSA-N 439.545 2.267 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cccc(Br)c2C#N)C1=O 1296102095 OBGNLHMMJMKGBY-IBGZPJMESA-N 443.257 2.198 30 10 IEEE C=CCOC[C@H](NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)C(=O)OC 1297029396 GOOYTFSXFDYPSQ-YVEFUNNKSA-N 432.420 2.297 30 10 IEEE Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)nn1-c1cccc(C#N)c1 1298676235 HQWOUJVGUIDULO-IRLDBZIGSA-N 436.560 2.359 30 10 IEEE C#CC[C@H]1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1299853872 ZBVFHEBHRNJXIE-UWJYYQICSA-N 434.558 2.413 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300445999 BHEVIDNHYZOYFO-IRXDYDNUSA-N 448.980 2.267 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ncnn2C(C)(C)C)CC1 1300692290 CNKNVYUMMOVNHR-UHFFFAOYSA-N 434.548 2.104 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@H]1C 1300741289 RQDNEDIMIROJQJ-OAHLLOKOSA-N 448.618 2.138 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCSC1 1300747220 YVEBPBKEZQVRRL-QGZVFWFLSA-N 426.575 2.229 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1300899799 IXEITXZYAOUOKZ-SFHVURJKSA-N 446.621 2.349 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1301239074 KRYGDNQUSDKHKO-KRWDZBQOSA-N 433.578 2.086 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCS(=O)(=O)CC1 1301280154 DOWYRCPGVHPZQN-UHFFFAOYSA-N 428.917 2.300 30 10 IEEE C=CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1301621060 PSULAWOGKURZGX-LLGFUMIMSA-N 435.594 2.097 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1302026485 GINAVXYVLRZIEI-RKVPGOIHSA-N 448.465 2.328 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1303637519 WYCNWGLVPHUHME-ROUUACIJSA-N 435.532 2.192 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1315666601 TWLFXERTAMAPCX-IAGOWNOFSA-N 445.545 2.113 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C 1315718467 PDDVJGAUKZRCOG-VDZJLULYSA-N 429.546 2.113 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1358889695 FOTRKCDMKLADOV-SJORKVTESA-N 426.546 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1358890506 QIWRVAVIZQMBIX-IRXDYDNUSA-N 432.546 2.116 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1358924539 ADYWHONHOMFARX-LJQANCHMSA-N 433.560 2.267 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1358973749 DSLMTVYQVOUWDT-VQTJNVASSA-N 443.559 2.114 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1359331475 AIGIHUYXHSZHNZ-UHFFFAOYSA-N 435.594 2.128 30 10 IEEE C#CC[C@@H](NC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C)C(=O)OC 1451176300 AZXFELJVNIQONM-GDBMZVCRSA-N 432.473 2.051 30 10 IEEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454875921 KEIANZSFLSOSDV-UHFFFAOYSA-N 442.403 2.154 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C(C)(C)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 1458865063 OWBJFFLYEMSBBG-NRFANRHFSA-N 448.571 2.218 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)c2cccc(C#CCO)c2)cc1Br 1468138643 KJZWTRPNFSMCAP-KRWDZBQOSA-N 432.314 2.383 30 10 IEEE C=CCn1c(SCC(=O)NCc2cc(O)nc(O)n2)nnc1-c1ccc(Cl)cc1 1469438126 LDFQGPMMRQNFMB-UHFFFAOYSA-N 432.893 2.394 30 10 IEEE N#CC1(C[C@H](O)CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CCOCC1 1473138438 TZRCYMYTNQWTGB-SFHVURJKSA-N 436.350 2.278 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1503219431 YXIYRGFTSRPCFP-UHFFFAOYSA-N 438.561 2.184 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1504108838 FINGYUXVPINVJB-PBHICJAKSA-N 444.923 2.251 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CCCC1 1507654178 XEIHUHJYTYESSJ-LJQANCHMSA-N 432.590 2.240 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1507710699 TXCAEILALIDDKH-UHFFFAOYSA-N 441.536 2.221 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507752974 HCDUVHKHGBEIOW-OALUTQOASA-N 432.638 2.024 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507779815 HKURYOSBIUABER-UHFFFAOYSA-N 431.294 2.412 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1507847626 OROKBBNTQJWVNA-MRXNPFEDSA-N 444.502 2.066 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1507942512 DIMWFFCOFKSOQZ-HRAATJIYSA-N 431.562 2.490 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508047772 HTIFDMVMFRNNPK-UHFFFAOYSA-N 437.504 2.197 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCSC1 1508143166 FAUBUPAACCWJNO-QGZVFWFLSA-N 436.603 2.420 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508168610 XOJKSPJJCZCZEK-RTBURBONSA-N 432.594 2.443 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1508415289 BAJADOLABZVUPJ-JKSUJKDBSA-N 430.509 2.045 30 10 IEEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508741780 DFJIVFVSGPVUBQ-HNNXBMFYSA-N 436.438 2.092 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@@H]1NC(=O)NC1=O 1509938721 ISDKPIXLFGERDD-AEFFLSMTSA-N 435.532 2.475 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517223976 HBZVQCSGACGGCV-JLUOLNIDSA-N 428.537 2.467 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1517478781 JLDXEDHTDLDANR-XMMPIXPASA-N 449.559 2.086 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1519426368 YVYOMKDQKGFTIU-OKYOBFRVSA-N 433.553 2.184 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Br)c(C#N)c2C)[C@H]1c1ccnn1C 1529315624 HUBDCHVPFQEJKX-MSOLQXFVSA-N 446.305 2.290 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCC(OC)CC2)CCCC1 1538962698 NUECJCAVXMZRLD-GOSISDBHSA-N 430.597 2.298 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1539089769 QVBCGJYBXRIKOG-SFHVURJKSA-N 437.548 2.472 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539133453 IDMIUALODFFTGY-GOSISDBHSA-N 448.531 2.111 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1539612613 OIEPSPLHPLNIPL-ZCNNSNEGSA-N 447.580 2.126 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539735545 KPXXZZFDVUHFLS-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539779371 VPTRVJHGOAAPHW-INIZCTEOSA-N 431.928 2.348 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539831160 DSPAOFHOSASBPA-NRFANRHFSA-N 438.594 2.442 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCN(C)C2)C1 1540895055 KQSRSEBCTIACJH-HYBUGGRVSA-N 441.576 2.322 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1541175044 CXTHFYZFYRGKHY-HXUWFJFHSA-N 434.541 2.287 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1541707076 FXXVGLAQWHXXLR-UHFFFAOYSA-N 425.581 2.362 30 10 IEEE C[C@@H](CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)c1nccs1 1541831589 UTOKYQQRHGFHSF-UONOGXRCSA-N 446.558 2.390 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1543381938 RUJBHBFWCGIXIF-IBGZPJMESA-N 438.933 2.203 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1546848831 QIQGGXJTUFPLIN-HSZRJFAPSA-N 433.516 2.350 30 10 IEEE CCCNC(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1 1547235034 CEBJCRXJUPZSRP-QGZVFWFLSA-N 433.516 2.447 30 10 IEEE Cn1cnnc1Cn1c(-c2ccccc2Br)nnc1N1CC[C@](F)(C#N)C1 1554352068 MUBKNAUBKPAENK-KRWDZBQOSA-N 431.273 2.326 30 10 IEEE N#CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1555990716 RKXDPQUNRYLLAS-FQEVSTJZSA-N 447.518 2.487 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCC(O)CC2)CCO1 1555993062 HKBBQTDJFZIECW-KRWDZBQOSA-N 448.930 2.313 30 10 IEEE C=CCCSCCNC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1565034524 KPZRQKGSBGWSNC-UHFFFAOYSA-N 430.372 2.389 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCC3(O)CCN(Cc4ccccc4)CC3)CC2)cn1 1565274054 RFBKUHKBYHVATK-UHFFFAOYSA-N 448.571 2.202 30 10 IEEE CC(=O)c1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1565494320 GWQMDGQJUNNBSO-UHFFFAOYSA-N 440.525 2.019 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1587765919 MVLWKVDQMFQHLB-IBGZPJMESA-N 439.564 2.491 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1588064185 CJXFBWSHZMZDCU-GOSISDBHSA-N 431.537 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC1CCOCC1 1588113959 WYLMECKVSLJOMR-UHFFFAOYSA-N 436.512 2.375 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1588205486 NHBYWODEYPXWCJ-NRFANRHFSA-N 449.555 2.494 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1S(C)(=O)=O 1588298219 XOFHQZCJJGVQCG-GOSISDBHSA-N 438.557 2.377 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC(C)CC1 1588310012 LSFLNBFLVGKWRY-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2C2CC2)CC1 1594193466 QQACXUZKKOUBPF-LPHOPBHVSA-N 436.626 2.308 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNS(C)(=O)=O)CC1 1594202352 MVEROHHRKMOSPN-UHFFFAOYSA-N 441.504 2.498 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594812748 JNODRNQDBBMPEG-IBGZPJMESA-N 446.596 2.491 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1595381570 IJJQOIGPVLVAIW-UHFFFAOYSA-N 428.518 2.230 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1595466477 JKEWAFBUYFWPSQ-UHFFFAOYSA-N 440.548 2.075 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1595500769 FCPLHHTZWWKVJC-HXUWFJFHSA-N 433.560 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](CO)Cc3ccc(O)cc3)C2)C1 1597347147 HPGCLGLSKAMGHN-SRXHXZOOSA-N 429.517 2.199 30 10 IEEE CCc1ccc(C(=O)N(C)[C@H](C#N)C2(SC)CC2)cc1S(=O)(=O)N1CCOCC1 1597813144 PDOZDDWPMJPSGY-GOSISDBHSA-N 437.587 2.130 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C1CC1 1611285866 ARNPBPVMGCATQP-LBPRGKRZSA-N 434.342 2.311 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1611319961 QQFBVDXWIXXNCS-FPCVCCKLSA-N 431.541 2.066 30 10 IEEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1612159137 KGTDTPLGVWIMBZ-RDJZCZTQSA-N 441.561 2.463 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1612873671 GYRVHCXBABKBHU-RCCFBDPRSA-N 431.585 2.140 30 10 IEEE CCOCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1617068987 YXCILZIRKLZRDW-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE C#CCN1CCCN(C(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 1618029798 HERJASJCWRZCDT-UHFFFAOYSA-N 431.558 2.093 30 10 IEEE COCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619842847 OKJAWQFNBLKORW-MRXNPFEDSA-N 448.369 2.259 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1619988965 AIWVTZYMHXCPAM-SEONNTABSA-N 437.516 2.172 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1620347109 NYQYVHCPXBKUAV-NQIIRXRSSA-N 447.536 2.229 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)CC1 1622829390 UUAPFSFLPZRBBC-UHFFFAOYSA-N 447.605 2.146 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 1625788974 SEAWTYUXINNYFA-WMZOPIPTSA-N 437.504 2.312 30 10 IEEE CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)CCn1cc(C#N)c(O)nc1=O 1626394985 HUJJFUZJCDAZCI-UHFFFAOYSA-N 425.420 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C2)C1 1628226945 AHQWZDYRVFTNFK-ZVLZEYJHSA-N 432.565 2.096 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 1633679669 WCPHLJWOABGNCN-UHFFFAOYSA-N 443.859 2.345 30 10 IEEE C#CCN(C(=O)Cc1ccccc1NS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1634818285 PFPITKCBTPWWEP-UHFFFAOYSA-N 449.573 2.462 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F 1635191689 NDUSTIJGDSZRQJ-IAGOWNOFSA-N 445.299 2.262 30 10 IEEE O=C(CSCc1nc(O)c2c(-c3ccccc3)csc2n1)N[C@H]1CCN(O)C1=O 1636352221 DUOHCTJUKHLZDG-ZDUSSCGKSA-N 430.511 2.403 30 10 IEEE C=CC[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(=O)OCC 1638326860 XUDCZRSVTHMREZ-OAHLLOKOSA-N 436.306 2.144 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)C1 1644588850 INKAKRBFMNHJJI-RDJZCZTQSA-N 442.375 2.192 30 10 IEEE C[C@@H](CC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1645507934 FBLSNXNPYRCJFQ-SZMVWBNQSA-N 427.526 2.193 30 10 IEEE CCOC(=O)CN(C)C(=O)CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648496645 PFNOXGBHGCOZCU-DTORHVGOSA-N 426.304 2.111 30 10 IEEE C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)[C@@H]1CCCc2ccccc21 1652652932 DBQOULAYWRAZRA-OXQOHEQNSA-N 428.558 2.243 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccc2NC1=O 1652916246 IZJYCQJJNJKAFK-HTAPYJJXSA-N 428.489 2.219 30 10 IEEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1653955501 CLYLLCHAMFUNBP-UHFFFAOYSA-N 433.461 2.003 30 10 IEEE Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NC1CCN(CC#N)CC1 1654304423 DWYBOABNVUDIHW-SFHVURJKSA-N 430.553 2.481 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(CO)(C(F)(F)F)CC2)CC1 1654978967 WLFWJHOQUIGKJY-GOSISDBHSA-N 442.457 2.171 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1668990484 KCUFHBPRBJGNRG-UHFFFAOYSA-N 439.440 2.167 30 10 IEEE COc1cc([C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OCCC(C)C 1682270127 FVRWSEKSBJWPFC-HNNXBMFYSA-N 443.504 2.314 30 10 IEEE COc1ccc(CN2CC[C@@H]2CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 1684000153 RRWYQRMPVHARRO-GOSISDBHSA-N 440.573 2.438 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1684350458 KQKGQNLGDZXOKU-RUZDIDTESA-N 446.599 2.202 30 10 IEEE C=CCn1cc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)nn1 1686847907 IUJYEWJDPFXJRB-ZBFHGGJFSA-N 428.459 2.329 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1690117408 GRMFPWUZXGXEDV-UHFFFAOYSA-N 431.544 2.218 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nccn2C(F)F)CC1 1690133329 BYCNTHCRZVTAME-UHFFFAOYSA-N 445.449 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC)CC1 1690136506 GFMXYLGLSGTOCR-UHFFFAOYSA-N 442.951 2.237 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690290570 PLPCEAMOWPZYFL-KRWDZBQOSA-N 439.607 2.240 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1690312936 HFPCXCYACIXUGW-IRXDYDNUSA-N 428.624 2.351 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690663598 BEENSAPIHPTPHQ-HNNXBMFYSA-N 448.930 2.344 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2ccccc2N2CCOCC2)C1 1690711864 JPJZRYSASLXNSG-FQEVSTJZSA-N 427.549 2.481 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)n2)cc1 1693160530 CTIBPBAZYHNWJO-GOSISDBHSA-N 438.561 2.369 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705536494 PLYJDVRMFHCJIJ-UHFFFAOYSA-N 443.555 2.438 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705569778 JTFBVMNIRAXHLG-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1c2ccccc2C[C@H]1C 1705574341 BESYGECJYYKLNI-NLFFAJNJSA-N 433.556 2.454 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ncnn1C(C)(C)C 1705630222 KTIZQBDBGRHUDG-UHFFFAOYSA-N 428.566 2.115 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705661989 MWFDOHUAXNGLOU-IAGOWNOFSA-N 432.619 2.488 30 10 IEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1705821991 PAJYYZAMEPYRHK-JOCHJYFZSA-N 435.576 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1705933640 OADGDXHWMBWJTF-GOSISDBHSA-N 445.589 2.200 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1711911170 DYAQFUJBGVHHDI-OAQYLSRUSA-N 446.577 2.412 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCOCC2)c1 1722307139 ZBCBYPKYXBTEFL-GOSISDBHSA-N 438.576 2.353 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CC#CC 1722332519 MFCONBDATVHVEX-LJQANCHMSA-N 425.533 2.463 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1722361521 FLTXRJHMVDGVJG-NRFANRHFSA-N 427.549 2.292 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1722369544 ARPDIKDBRKUEDF-FUHWJXTLSA-N 436.484 2.083 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722462038 HYAWBAOOUIHOIS-YWZLYKJASA-N 433.603 2.384 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1722468988 RIOFECZFVBZJSJ-UEVCKROQSA-N 429.565 2.181 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1722539865 BRHFSVNTTOGKQF-FQEVSTJZSA-N 436.560 2.419 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722567398 XCEXBEXXKHLHQT-KRWDZBQOSA-N 433.553 2.446 30 10 IEEE C=CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722609254 CQGDQJDXXPLTQI-FXAWDEMLSA-N 426.583 2.298 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1)C1CC1 1722645542 QIIXYCPAKFDOKV-OAHLLOKOSA-N 427.505 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C#N)C1 1722695951 WDVDVNPJDWTYOH-LJQANCHMSA-N 448.483 2.148 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCn3ccnc3C2)C1 1722708980 HLGPDWNIUGCSOR-PKOBYXMFSA-N 441.580 2.437 30 10 IEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1722740390 SVRHDLIQVNAXID-SFHVURJKSA-N 433.553 2.436 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1722765893 SWLKCPSEDREZHT-IAGOWNOFSA-N 444.486 2.134 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1 1729195457 BOAFEYBZVZACLA-GOSISDBHSA-N 444.605 2.420 30 10 IEEE CO[C@@]1(Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1729955419 YJCUTVSCMATIHX-FGZHOGPDSA-N 433.553 2.254 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1ncn(C)n1 1730825893 PEAWATCLLXUXOV-KRWDZBQOSA-N 448.531 2.344 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1noc(CC)n1 1740616232 WLONBKOOJYSMHF-GASCZTMLSA-N 429.525 2.306 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740948898 QNYFQUDHDMCJLW-GOSISDBHSA-N 444.923 2.463 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740951669 KWZZNFISTZWVOW-SJORKVTESA-N 444.584 2.483 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H]1C(C)C 1740959277 PXNIDKWNMRTJLD-QGZVFWFLSA-N 445.593 2.165 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1740977341 UHTUEZAMENOYHM-QWFCFKBJSA-N 443.596 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740985625 KECAZEMABFJGFC-INIZCTEOSA-N 446.577 2.399 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOc1ccccc1 1744097549 UQAIEQVRDROQRU-IBGZPJMESA-N 426.521 2.394 30 10 IEEE CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1746252500 CXOUAYPFFXKMSN-SFHVURJKSA-N 428.562 2.335 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCC2(F)F)CCOC1 1746733013 DINBFDNXPLPGPF-FRQCXROJSA-N 425.480 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC(O)CC1 1748649871 UFKYFXQNKBIHLC-QGZVFWFLSA-N 427.549 2.267 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1748718084 NPQYJCGCWCRYOE-IBGZPJMESA-N 427.574 2.310 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749047532 YMHCDFDKVXIWSS-JOCHJYFZSA-N 425.558 2.391 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1(C)C 1749221572 MUNODJSPZRYIMG-SFHVURJKSA-N 426.521 2.115 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1749488707 YUXOJILYXTWTCW-HXUWFJFHSA-N 425.581 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](C2CCOCC2)C1 1749736492 KGWFASZEENHPKG-FQEVSTJZSA-N 445.589 2.118 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1750067064 QTUOCSVHJBKEPZ-UKRRQHHQSA-N 437.957 2.013 30 10 IEEE CC(C)N(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1751219685 HKAYVFYMIBMZIA-FXAWDEMLSA-N 439.630 2.137 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)N(C)C)c1 1760126778 IQOFXAHEHZGWCC-UXPWSPDFSA-N 425.533 2.210 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(C(N)=O)nc2)c1 1760127064 PRTNIPQTQPLFKC-UHFFFAOYSA-N 445.527 2.174 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)CCC)c1 1760128872 VHIKAJOTZWWFGV-JPYJTQIMSA-N 425.533 2.389 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760158318 LYWRBUMVTJJGLA-GOSISDBHSA-N 427.530 2.156 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1760188162 MWNSMYTVYCRCQE-BBWFWOEESA-N 449.602 2.059 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1760255556 DYSZQJQHCSRXCV-UHFFFAOYSA-N 441.601 2.088 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760277385 IWFMJMRONPXDGH-UHFFFAOYSA-N 429.571 2.197 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760285494 IBGAAXZECJBNDG-GOSISDBHSA-N 431.537 2.468 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760287377 QHLLGHHCBQJXBR-CRAIPNDOSA-N 449.602 2.341 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1761546735 GOQPLJBZQCFOJJ-MSOLQXFVSA-N 440.523 2.395 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1762061634 IXRIJEDOWSVDBL-QGZVFWFLSA-N 441.580 2.416 30 10 IEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1766870948 IEBRPSPNHFFNHN-UHFFFAOYSA-N 444.421 2.140 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1769044563 HJAGWABUGYHSIZ-HNNXBMFYSA-N 429.525 2.316 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCc2cccnc21 1769838342 WWBUKXXDSGVNAW-SFHVURJKSA-N 425.537 2.298 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCO)C[C@H]1c1ccccc1 1770756979 RFSBWLCPWHXACS-AQNXPRMDSA-N 443.573 2.086 30 10 IEEE Cc1ccc(C)c(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1 1851195810 DPYZBJJXDAKBAX-MRXNPFEDSA-N 439.541 2.484 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1851296075 ZHSPKMDCMGKKED-CQSZACIVSA-N 445.398 2.248 30 10 IEEE N#Cc1ncc(C(=O)N(CCCN2CCCC2=O)Cc2ccc(-n3ccnc3)cc2)cn1 1853465915 WOTNNCVRUOLJIL-UHFFFAOYSA-N 429.484 2.189 30 10 IEEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)c4ccsc4)C3=O)CC2)CC1 1854339775 GHYSCJPVUCAXNM-IBGZPJMESA-N 428.558 2.353 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)NCC(=O)O)c2C#N)C1 1858793410 FVIVUHUXKKKZOR-NSHDSACASA-N 443.485 2.363 30 10 IEEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2nc(CCc3ccccc3)[nH]c2c1 1860967603 FPBZVLQWPYEHOG-IBGZPJMESA-N 433.512 2.014 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)Cc1ccc(OC)c(OC)c1 1861853161 MJUCNPHCSJEUKM-HXUWFJFHSA-N 440.496 2.201 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862630510 VSUUAYVVUMILKK-VOJFVSQTSA-N 426.381 2.283 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCCCO)=C(N)Oc2c1c(C)nn2C 1864317335 XKBLQWSYAGTWNQ-LJQANCHMSA-N 426.517 2.267 30 10 IEEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868794778 GIKSPNNFWVXGRN-MOPGFXCFSA-N 432.590 2.150 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(OC)c3)CC2=O)cc1 1870110734 GMUFCZISHGIGSG-MRXNPFEDSA-N 446.467 2.207 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccccc1F 1870356937 VTKRTNWWZYSZMB-UHFFFAOYSA-N 443.519 2.087 30 10 IEEE COc1cc(Br)cc(/C=N/n2c(CC(C)C)nnc2SCC(N)=O)c1O 1874488058 LJXCMIWXRCWAEC-FBCYGCLPSA-N 442.339 2.413 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(-c4ccncc4)c3)CC2)CC1 1889538852 MFINQBWEHHOBDK-UHFFFAOYSA-N 433.556 2.016 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1889598476 YJWBDCVRGHEHCS-UHFFFAOYSA-N 437.581 2.025 30 10 IEEE Cc1cc(N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)nc(N2CCOCC2)n1 1890307597 VBNAIEQGKHRMAH-UHFFFAOYSA-N 432.528 2.139 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2Br)CCN1Cc1ccccc1 1914862908 RWHCBYBQAOEVQH-INIZCTEOSA-N 435.347 2.430 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC(=NO)CC2)C1 1923296718 LBHONQCPFVUKKP-UHFFFAOYSA-N 433.530 2.345 30 10 IEEE N#Cc1cccc(Cn2cnc(I)c2I)n1 1985644035 XFSUODUDQPYVAP-UHFFFAOYSA-N 435.994 2.407 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)O1 2010545279 TULUVOZFXUHQTM-UFYCRDLUSA-N 428.533 2.295 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)C1 2020887521 YYBSIFYDDROVPI-CVEARBPZSA-N 439.553 2.334 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@]12CCCOC2 2054340176 YBPXIAJRRCTDKH-BBRMVZONSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](Nc3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2224133576 XVFDJSHSRUUAHP-OIISXLGYSA-N 431.342 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2247835712 PGVPMHXIAIOXSR-CHWSQXEVSA-N 435.355 2.276 30 10 IEEE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247949942 BOBWZBKECAOJPK-OAHLLOKOSA-N 434.371 2.104 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2249036890 LFEANULDHXZYRT-HZPDHXFCSA-N 442.557 2.308 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2249485153 XXMSYRUIWNPNHK-UHFFFAOYSA-N 432.273 2.330 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC[C@@H]1CO 2254792463 KDNURSURAZIRSW-NVXWUHKLSA-N 433.358 2.093 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 2255148379 NESOXGYCSLMJCA-YOPALGQTSA-N 449.548 2.140 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255367388 CIOHIENFRLUTDG-MRXNPFEDSA-N 432.374 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617245 BNABMTVDJZALIC-ZIAGYGMSSA-N 434.346 2.275 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C 2255830987 OIIRJEPCGBHNCS-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC)C1CN(C(=O)OC(C)(C)C)C1 2267127659 SWKWJHZQHCOIPG-UHFFFAOYSA-N 448.373 2.284 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267130990 VUDFOMSVOXIUHM-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267190338 MWMUMRZCTQYTHI-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2267222077 WAKBGORSWWCJQY-ROUUACIJSA-N 446.353 2.004 30 10 IEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267272859 DWTAKCNVQBZWCX-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267288777 GXPYERGTPYECPR-BZPMIXESSA-N 444.259 2.496 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2267518104 AANAFRNEOVOWEL-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548667 HLBQXSNTWLLTJU-INIZCTEOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267588502 MPGVCZKPFUZSIH-YQQAZPJKSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)C1 2278802887 YZCUDQAROYJBKA-ULQDDVLXSA-N 425.323 2.125 30 10 IEEE Cc1cc(S(=O)(=O)N[C@H]2CCCCC23OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2282408933 LIXYPWAXFDUFNG-AWEZNQCLSA-N 443.396 2.320 30 10 IEEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](C3OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2282866394 ILJLFVMRSSNGHC-AWEZNQCLSA-N 443.396 2.048 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2301392013 VBEPGWCQZAXOEC-ZDUSSCGKSA-N 442.705 2.391 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H](CCO)COCc3ccccc3)ns2)OC1(C)C 2303623934 IKKGOLOLMTYXIG-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](O)C#Cc1ccccc1Br 2313862874 NUKLFEKJSWWQRP-HUUCEWRRSA-N 432.336 2.099 30 10 IEEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2317502103 VUWUPGNBAVMUFU-GOEBONIOSA-N 433.358 2.479 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(N(C)C)cc1 2329035165 QDDHAZNYVAIJJT-INIZCTEOSA-N 444.561 2.216 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2352398841 YFFMUQXMIUSXOS-OAHLLOKOSA-N 446.357 2.294 30 10 IEEE Cn1nc(I)cc1[C@H](O)[C@@H](N)C#Cc1ccccc1Br 2360932563 YTCIHZVUTAVUPO-SMDDNHRTSA-N 446.086 2.200 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1OC 6024772 YLVGBXTXPQJODZ-LAFOYAEKSA-N 425.485 2.472 30 10 IEEE N#Cc1cccc(NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2Cl)c1 12031956 HXHKLPFZVYJRLH-HNNXBMFYSA-N 438.914 2.425 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c(F)c1 59887764 MIXFLDXOFVTJOL-ZVBGSRNCSA-N 446.512 2.235 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccc(OC)c(O)c2Br)c1 169903682 XMXAKASCBIUSEL-GIJQJNRQSA-N 445.291 2.493 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 253371285 ATIJNEFQXNJCDL-SFHVURJKSA-N 429.546 2.446 30 10 IEEE COc1cnccc1N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 480959249 KMMRGXZOFWYRIE-OAHLLOKOSA-N 429.502 2.130 30 10 IEEE COc1cnccc1N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 481472082 JHERBTAHGUKNFU-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE Cc1cc([C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCO2)ccc1F 486155329 VBVJYVRWHBUNRK-YWZLYKJASA-N 431.489 2.273 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 506906875 DBCJJYRPCQKNLK-ZDUSSCGKSA-N 443.451 2.101 30 10 IEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 508844216 HKQVNTSFSHKSOQ-UHFFFAOYSA-N 435.532 2.383 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 576138950 QBJDLCSYEGFMBA-SFHVURJKSA-N 440.525 2.246 30 10 IEEE CC(=O)Nc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 586342867 FYWOZFKSJIEMCS-PMERELPUSA-N 444.538 2.393 30 10 IEEE C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 588822978 GFLHDMXUBNBNCX-QFIPXVFZSA-N 434.477 2.347 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1-c1ccccc1C#N 604001354 MKNCVCIGKOYAKO-UHFFFAOYSA-N 440.528 2.193 30 10 IEEE CC(C)(C)c1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 608863290 ZLGKUMVZPAMRMP-UHFFFAOYSA-N 428.518 2.184 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(CCC#N)CCN2CCOCC2)CC1 608959955 WVJMFQVQILBRDY-UHFFFAOYSA-N 441.576 2.025 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1Cc1ccccc1 609450139 BTSGXYHURKXQIQ-UHFFFAOYSA-N 435.524 2.435 30 10 IEEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615456989 QRTNJTJJXCGPMF-AWEZNQCLSA-N 447.948 2.008 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 619834755 OKYBPKXRDZTWCI-KRWDZBQOSA-N 425.493 2.006 30 10 IEEE C#CCOCCN(C)S(=O)(=O)c1c(N)cc(Br)cc1Br 688040549 AZAOCCAPWYDEGO-UHFFFAOYSA-N 426.130 2.064 30 10 IEEE CN(CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)C1=NS(=O)(=O)c2ccccc21 733253684 OEQAIAOSTOXIOO-HNNXBMFYSA-N 447.314 2.211 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(C(=O)COc2ccc(F)cc2)CC1 739841180 RRWPHHXEIHIQTR-UHFFFAOYSA-N 434.475 2.445 30 10 IEEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc(C#N)cc1 740203904 HNMNGZLCUNEFEB-HXUWFJFHSA-N 430.482 2.301 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1C#N 747496191 ZSOHPHXIZVASPP-UHFFFAOYSA-N 434.496 2.377 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CCCNC(=O)c2ccc(F)cc2F)CCCCC1 760399726 AYSGSBLSGIAISC-UHFFFAOYSA-N 427.473 2.395 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 778447518 VIBSQQQNYTYCFK-UHFFFAOYSA-N 444.532 2.412 30 10 IEEE CN(CCOc1ccc(Br)cc1)C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780203338 BANSYIGOFURXFE-IBGZPJMESA-N 447.285 2.435 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)n1 788820873 MICORMRQDLNAFF-QGZVFWFLSA-N 426.542 2.266 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)cc1 790012929 ZXDLVZZYYANXRG-GOSISDBHSA-N 432.590 2.300 30 10 IEEE CC(C)(COCC(F)F)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 810625462 BIYYNVOESRUWJR-UHFFFAOYSA-N 425.251 2.434 30 10 IEEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 915997544 ZRXWXMQYNQZZEQ-UHFFFAOYSA-N 444.567 2.266 30 10 IEEE CCNC(=O)CCSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084291048 DOEYTZRCZASINC-UHFFFAOYSA-N 444.521 2.111 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)cc1 1125155762 OIXYHQFEGXIDCQ-QFIPXVFZSA-N 427.526 2.280 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1136920039 GFAOZEYCNJFFNG-INIZCTEOSA-N 425.482 2.156 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@H](C#N)C1 1137215275 RPUXVAXIDAETMO-CQSZACIVSA-N 441.444 2.493 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)OC)cc32)c1 1146586664 IZMILURZMBBZGU-LJQANCHMSA-N 440.521 2.235 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)c1 1195397989 PYILCVWPVUMIQP-HXUWFJFHSA-N 448.566 2.153 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1253779060 IYIGOJZYUBLOGU-LJQANCHMSA-N 435.590 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286304021 UBYPEEIUDIMBHN-AZUAARDMSA-N 437.544 2.383 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286460237 BTDWIESSHAETMZ-HNNXBMFYSA-N 430.578 2.132 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCOc3ccccc32)CC1 1286470453 ZBEHGUQBADUDDI-LJQANCHMSA-N 436.560 2.128 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCOC[C@H]2CCOC2)CC1 1286482480 SIEVJJBFJMYILX-HXUWFJFHSA-N 441.551 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2([S@@](C)=O)CCC2)CC1 1286494855 UJRDNSSBTHVYMK-WJOKGBTCSA-N 445.633 2.278 30 10 IEEE C=C(C)Cn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286599123 LIEKHDSTIPIQDO-FCHUYYIVSA-N 430.553 2.380 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1286680079 WPKOFWJGYJVDRC-QZTJIDSGSA-N 431.562 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC[C@H](C2CCC2)C1 1286821577 PNRQSWURBVFQCA-LJQANCHMSA-N 445.589 2.118 30 10 IEEE CCC[C@@H]1CN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CCN1Cc1ccccc1 1295601473 UEEMBYODOLOKMS-LJQANCHMSA-N 441.532 2.207 30 10 IEEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1296511037 ABPBZCOSGISEDI-INIZCTEOSA-N 428.374 2.242 30 10 IEEE CCOC1CC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1296962996 BCWQMZKHCSKWHC-IDYZSHNDSA-N 431.924 2.181 30 10 IEEE COc1ccc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1300158184 NYKIPYNNRSWICI-OFNKIYASSA-N 441.532 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1300272888 OASPBLXPNNWYIZ-NSHGMRRFSA-N 444.605 2.011 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 1300325392 YTEQCODMQFKNKC-UXHICEINSA-N 440.592 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1300579598 XFNLPSDJTGVDCE-QHAWAJNXSA-N 445.633 2.011 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCCNS(C)(=O)=O 1300643949 WAJWKAOJPBCOBY-UHFFFAOYSA-N 442.520 2.058 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2OCCC2(C)C)CC1 1300710051 QKOLAPCNJFXACO-NRFANRHFSA-N 439.560 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)CC)CC1 1300721896 CCKUZTYJZOEWPD-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301155716 SIOBMNMCVNKTQS-OALUTQOASA-N 430.597 2.160 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1303640508 LONZAKIDQQGIGK-OWCLPIDISA-N 430.475 2.174 30 10 IEEE Cc1cc(C(=O)N[C@@H](CC#N)C(F)(F)F)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1303850151 ZDIUZMLNGKRDDG-INIZCTEOSA-N 428.436 2.375 30 10 IEEE CCCN1CCC(Cn2c(COCC)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1307044104 DBGIVAKDBNDKCD-UHFFFAOYSA-N 439.564 2.472 30 10 IEEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 1309890712 UNNKMZPMGUZBTO-OAQYLSRUSA-N 432.567 2.308 30 10 IEEE CN1CCN(C(=O)CCNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 1310719355 AABSFVDABBRJJW-UHFFFAOYSA-N 437.548 2.327 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1315814035 FYXGKNDILIMXQH-LJQANCHMSA-N 426.496 2.250 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 1316147851 GEVKQBCTTXDPMA-AEFFLSMTSA-N 438.532 2.431 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2CC[C@H](OC)C2)cn1 1320974131 JJKLRKPEZGZDJS-HRCADAONSA-N 443.533 2.221 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)cc1OC 1349262910 DSUVLWNTZZLJSV-UHFFFAOYSA-N 445.497 2.239 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCO[C@H]1C 1358968918 CCCQTZZADLOYNZ-AXHZCLLHSA-N 438.528 2.430 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1358987403 FMQMIGCGKCSIOU-UHFFFAOYSA-N 434.588 2.443 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1cccc(F)c1 1359018394 OEDSSULOIXDKFI-KRWDZBQOSA-N 429.496 2.207 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359023031 WJOMIDMIVYDKSZ-AUSIDOKSSA-N 425.533 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1359029634 CPFFPOIMCALYQR-SFHVURJKSA-N 448.493 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(F)cc2C)CC1 1359047729 QYZPACLPTHNJEJ-UHFFFAOYSA-N 427.524 2.471 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1359062711 QHZDVZNOVVKNEB-BRWVUGGUSA-N 433.578 2.204 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1359107792 VJYATVMPSHOFCE-OGNFBWPZSA-N 425.599 2.232 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359135571 IBRJOUZQMHUNOP-UHFFFAOYSA-N 427.553 2.190 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)CC1 1359158126 GGUWVHPVRACCPK-UHFFFAOYSA-N 438.532 2.162 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1359259102 MDYOSBDVRATDQU-UHFFFAOYSA-N 449.559 2.191 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1359301613 DLDSMEIKBNMXDY-UHFFFAOYSA-N 442.564 2.387 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@](C)(O)c2ccccc2)C1 1359324372 JSEOGMYKJXJMCY-RDPSFJRHSA-N 439.560 2.480 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccnc(OCC4CC4)c3)C2=O)cc1 1360011901 MEGUPJGOILACTQ-IBGZPJMESA-N 433.468 2.263 30 10 IEEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1466736182 HLRSVJOQDVACGZ-DZGCQCFKSA-N 430.534 2.270 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)O)CC1 1470364620 FIVYCPWMKXGUEF-HXOBKFHXSA-N 448.519 2.261 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 1471032538 HIWZRMJWSSFIMU-FQEVSTJZSA-N 444.495 2.098 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H]3CSc4ccccc4O3)CC2)c1C#N 1478868241 WRHXNXIRYRLDHJ-MRXNPFEDSA-N 426.546 2.375 30 10 IEEE Cc1noc(CCCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1493123636 RPFPVVKKPWJCHX-PMACEKPBSA-N 433.488 2.085 30 10 IEEE CCOCc1nnc(N2CCC(Cl)=C(Cl)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1503060749 MXDGRRMFTMMZIR-MSUUIHNZSA-N 441.319 2.240 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1503476825 PLZVFCBSFKMWJU-ZWKOTPCHSA-N 437.504 2.016 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCOCC(F)F)c1 1505318706 PFOVWFUXSQNDFB-IAGOWNOFSA-N 430.459 2.346 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCSC)c1 1507551232 VRIOWWUTIOQUPH-KRWDZBQOSA-N 426.546 2.039 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)CC)CC1 1507741277 OTIDRXDZYWIPSP-QHCPKHFHSA-N 443.523 2.123 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507760312 XCJAFFZMQUSLAO-SELNLUPBSA-N 428.581 2.006 30 10 IEEE C=C(Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1507850804 BMEGRFJUBATRKH-IBGZPJMESA-N 425.533 2.227 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1507979773 CIZIKNNAOVMSTB-KRWDZBQOSA-N 426.546 2.251 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1508088960 HSTWFQIGXKDUNV-FHWLQOOXSA-N 446.596 2.343 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCn2ccnc21 1517451347 HQGSCCNBKKMWAF-QFBILLFUSA-N 432.532 2.409 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1519289508 BHKFLASKQOGUTA-HTAPYJJXSA-N 432.569 2.391 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(OC)nc1OC 1519405364 QKDKDAPRJKXXBO-ZVZYQTTQSA-N 430.509 2.201 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1520591166 SXBIYGGCRAVHHB-UHFFFAOYSA-N 449.602 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)CC2(C#N)CCOCC2)C(F)(F)F)CC1 1524328536 UQFMWGUVBWNMIT-HNNXBMFYSA-N 448.486 2.297 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1531945419 IZPJHVGWFNXTDM-QGZVFWFLSA-N 438.546 2.498 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCN3Cc3ccccc3)C2=O)cc1 1533600403 YYZPEKVQFMNZOE-SFTDATJTSA-N 431.496 2.154 30 10 IEEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1535296859 DOZTZZLIZJSJGJ-UHFFFAOYSA-N 446.511 2.071 30 10 IEEE COc1ncc(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)cc1C#N 1538312369 WAOMTCYLYMBMSR-UHFFFAOYSA-N 442.273 2.434 30 10 IEEE N#Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 1538517701 RLGMWVKHTMYBHS-UHFFFAOYSA-N 426.470 2.010 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1539117369 XCSXFCNXCYQNEC-UHFFFAOYSA-N 443.555 2.234 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(CC)C(C)C 1539259218 BEZSZBNYBIAQNH-UHFFFAOYSA-N 445.571 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(C)cn1 1539324055 OXONTDUQDJZTMX-UHFFFAOYSA-N 443.559 2.120 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOC1=O 1539326752 ZSGWDUGHYNZFLM-FQEVSTJZSA-N 435.484 2.096 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](OC)[C@@H](C)CC)CC1 1539441402 NTYAOPPYBIQVHA-UWJYYQICSA-N 425.533 2.490 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnccn2)CC1 1539505359 AYOOHFXMOIOFBV-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1540161468 KHCQVDJGYWGRIY-UHFFFAOYSA-N 447.591 2.442 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1540870239 HZINCCPFISTYDO-SFHVURJKSA-N 436.560 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCC2(CCOCC2)C1 1540872879 DJNZVIGIFAZCJU-UHFFFAOYSA-N 430.578 2.333 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOC[C@@H]2C)CCOC1 1541727988 BUTSIGKNWWQAQH-AJSBUHFISA-N 446.596 2.169 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1544466979 XCJGDCXPLWPPMJ-MSVBSMQLSA-N 440.479 2.369 30 10 IEEE CC[C@H](C)N(C)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1545676375 BWPWHSULDPCWPT-ROUUACIJSA-N 437.596 2.338 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1547703179 ABMNAMDCHDLQMM-IERDGZPVSA-N 446.600 2.102 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1552913714 URBJZRFRKHPXCW-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE COCc1nocc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC#N 1555330916 SOSNOGJQVBYDMV-CYBMUJFWSA-N 429.506 2.191 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CCO1 1555404287 FGLCZLRPELOXRE-FQEVSTJZSA-N 438.463 2.163 30 10 IEEE COc1cc(CN2CCO[C@H](CS(C)(=O)=O)C2)ccc1OCc1cccc(C#N)c1 1560185484 WBJUCDKJJVPKGS-FQEVSTJZSA-N 430.526 2.391 30 10 IEEE C#CCN(C(=O)NC[C@@H](C(C)C)N1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1563597682 SRIONWWPQMAFGN-FQEVSTJZSA-N 436.597 2.388 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 1583820743 KMINNUKLCSSTNT-UHFFFAOYSA-N 449.573 2.222 30 10 IEEE CS(=O)(=O)C1CCC(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1584431948 OIYYPSPNLDMQNB-UHFFFAOYSA-N 426.560 2.097 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1587562553 QOFNNNOTJAPQDZ-DZKIICNBSA-N 428.468 2.003 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1587638693 GXORDIHDUUPGDM-WBVHZDCISA-N 429.525 2.010 30 10 IEEE COc1cc(CCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc(OC)c1O 1587645579 PYFPSLXYCODHCH-UHFFFAOYSA-N 426.473 2.428 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1587766247 RGGZLIPDDMUGTE-RBUKOAKNSA-N 430.578 2.330 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1588019963 AITDPTAUDKCAGB-KRWDZBQOSA-N 430.553 2.478 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1588059642 RJDUEZBNRBZAIZ-OZIGNCPNSA-N 434.606 2.045 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](OC)C(F)(F)F 1588174230 UDHSQAQRSCPPMD-HNNXBMFYSA-N 434.422 2.356 30 10 IEEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593914967 SXGRUIYHTMLJQW-QGZVFWFLSA-N 444.923 2.391 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1594497848 NIMHNBCYUBPOIF-ROUUACIJSA-N 449.621 2.374 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)SC)C1 1595699624 FZJVITZNDYXIPL-CRAIPNDOSA-N 426.550 2.454 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3C[C@H](N4CCOCC4)C3(C)C)ccc2c1=O 1611537427 GOBUETKAEBISHC-ROUUACIJSA-N 428.558 2.100 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1615670321 MWVUOEFTBYJCKV-IBGZPJMESA-N 449.596 2.167 30 10 IEEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](CO)CC(C)(C)C 1617953856 AIZPTKFAHPPPDE-INIZCTEOSA-N 429.521 2.184 30 10 IEEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1618808257 ZOVJPZARRDYBGT-NRFANRHFSA-N 435.590 2.399 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(Cc2ccccc2)CC1 1624518508 JJSMOBVZZPSZRG-OAQYLSRUSA-N 428.577 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)C1 1632528003 HYVPBHLBLZBORK-MAUKXSAKSA-N 425.489 2.163 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F 1632880684 WQUMCAMFVAAZPZ-SDXDJHTJSA-N 437.353 2.286 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)s1 1634671504 LASOKGASRZWDTP-AWEZNQCLSA-N 443.591 2.223 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 1636227553 NIDORONMVLEPIK-OHMHXEGESA-N 432.473 2.192 30 10 IEEE C#CCOc1ccc(CNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1636916012 OZNBWULDCVRMIJ-IBGZPJMESA-N 429.517 2.221 30 10 IEEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)CCOCC1 1642708357 OOMTZTBTAAHXNH-RDJZCZTQSA-N 427.423 2.129 30 10 IEEE C#CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1644504501 OPMLROFNRLAKLF-UHFFFAOYSA-N 425.551 2.365 30 10 IEEE CC(C)(C)OC(=O)[C@](C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1647777083 GVJKEXGUDBTIBU-JOCHJYFZSA-N 443.525 2.210 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cc(C)cc(C#N)c2)cc1 1648844836 ARWOBSWRRCGEMQ-UHFFFAOYSA-N 428.514 2.266 30 10 IEEE COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1654140281 UGVSRWUNAOUTRD-WIYYLYMNSA-N 441.528 2.427 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)c(F)c1 1655721930 BFZNPNSCXKIIQN-ZDUSSCGKSA-N 427.379 2.496 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CC1 1667317476 YKZLMFCHOIDVRE-UHFFFAOYSA-N 440.544 2.321 30 10 IEEE C=CCN1CCC(NC(=O)N[C@H](CO)c2ccccc2I)CC1 1677128896 YASGQPVNVLRMNT-MRXNPFEDSA-N 429.302 2.274 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1689910560 KAYFFKRRSLVKIQ-INIZCTEOSA-N 442.568 2.185 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1689992633 NKCIPFVRZSLWCG-LJQANCHMSA-N 449.536 2.317 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1690110174 AOTKILSCICKPIT-UHFFFAOYSA-N 438.576 2.332 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690308405 MVOCPXPWTVKTSY-KRWDZBQOSA-N 427.553 2.459 30 10 IEEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690342122 ARKYRGOKTLEHDK-KRWDZBQOSA-N 444.001 2.319 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(-c2ccccc2)c1 1690609528 RTLVJJIWBSWUJN-UHFFFAOYSA-N 435.532 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1690668930 OFVWQLLALOAAKB-FQEVSTJZSA-N 435.532 2.121 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NCCC)C1 1690692106 RDSQRWPTVNHBIE-SFHVURJKSA-N 441.532 2.414 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)C[C@@H](C)O1 1694936854 URWPSOXXIAEUEI-VQIMIIECSA-N 446.577 2.150 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN(C)C(=O)OC(C)(C)C)CCOC1 1696023446 GMNJPIPYHKRHRP-HRAATJIYSA-N 436.557 2.393 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](F)(C#N)C1 1696496082 ONTDIIOWRWVYBP-FQEVSTJZSA-N 446.508 2.463 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1 1696622898 FVPYQFUTZIQPIH-UHFFFAOYSA-N 428.518 2.323 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)(C#N)CC2)C1 1696877699 WEPWUDMMPACKII-OAQYLSRUSA-N 425.493 2.050 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1697063013 ZDZOMHGHBRRAKC-MSOLQXFVSA-N 425.489 2.155 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CC=CCO2)cc1 1698488361 BOWHWOZXLBUPNS-HXUWFJFHSA-N 436.516 2.166 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1705529107 DMSFHPXNMWCJHZ-UHFFFAOYSA-N 435.532 2.436 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1705547271 AWHSOCBTIVJTKH-JOCHJYFZSA-N 427.574 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)NC1CC1 1705595911 KVEWCVZIKFNYEZ-UHFFFAOYSA-N 443.511 2.116 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCCC(C)C)CC1 1705647251 BFKBFKNDBREJGJ-FQEVSTJZSA-N 431.581 2.201 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCOCC)CC1 1705651110 JVWAHHUHQMRILC-UHFFFAOYSA-N 425.533 2.168 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCN(CC)S(C)(=O)=O 1705672295 RZQXVEOIAZCFOT-OAQYLSRUSA-N 430.578 2.312 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705787349 POMTVFMCXMZOQS-LJQANCHMSA-N 430.597 2.275 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1705792496 UTOWUOXVNKYTRG-MSOLQXFVSA-N 440.610 2.414 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1705836073 DKGTYIUNMKMGCV-UHFFFAOYSA-N 425.493 2.179 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705947352 IRNQQYVTMALLEF-JOCHJYFZSA-N 428.606 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(CC)c1 1722276023 CFWDBXDFSOZUQA-HNNXBMFYSA-N 440.577 2.269 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1722368681 UUSIPZJUKQIQCA-HXUWFJFHSA-N 442.585 2.477 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722386523 BHIJBHQZCKMKSW-NRFANRHFSA-N 441.539 2.266 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1722415221 JVAJZTXJUINEET-UHFFFAOYSA-N 427.530 2.013 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCSC1 1722418868 GDPCAZDLTDGOAF-QFIPXVFZSA-N 443.573 2.101 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCOCC2)CC1 1722582259 NEPQEJFXRGQSPW-QGZVFWFLSA-N 440.635 2.495 30 10 IEEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722601071 UTALPSGZRUSSRV-OAHLLOKOSA-N 428.924 2.102 30 10 IEEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722606864 JCRYRUFEHJZXNE-UHFFFAOYSA-N 440.548 2.494 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722695516 GFCJTQYFPLYHGZ-UZUQRXQVSA-N 425.533 2.194 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCCN2CCOCC2)n1 1726058784 JFCRVKFVAWVDCB-UHFFFAOYSA-N 440.596 2.382 30 10 IEEE CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)c1 1728662535 JYGMGTMQGXSUFZ-IBGZPJMESA-N 436.541 2.457 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1729559126 PQVFEYIOXAGPIR-UHFFFAOYSA-N 435.550 2.025 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CC2)n1 1730340546 DBPBZLQMOUICFZ-UHFFFAOYSA-N 448.531 2.105 30 10 IEEE COCCCN(C)CCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1730690059 TUFWERFMSJWICM-UHFFFAOYSA-N 448.575 2.301 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 1731188631 LYAZGZLAFPUHCD-BBWFWOEESA-N 448.449 2.204 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1OCCOC 1740556671 FKXJQLWNCNGMAF-GOSISDBHSA-N 425.533 2.240 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(C)c1 1740612513 BSKHVYWVDSEKIT-UHFFFAOYSA-N 436.541 2.077 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740624272 HOKNHOKMJXJBCF-UXHICEINSA-N 433.622 2.122 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1740627092 XZSNPUXVKLFFPI-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1740645664 QCVNHRYNAXAGFL-OAQYLSRUSA-N 429.977 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccccc2OC)CC1 1740710566 ZMWOFKZLUCIYGD-OAQYLSRUSA-N 437.544 2.347 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740716935 FCKNUOKSTHFIHP-AEFFLSMTSA-N 446.598 2.334 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1740882673 UGDAESQKHRWLAJ-SFHVURJKSA-N 441.532 2.271 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1C 1740914647 JDUKMQQSSSKXOD-QHCPKHFHSA-N 448.531 2.171 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1740939161 SPEKAQKSTWZFQC-UHFFFAOYSA-N 429.546 2.280 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1740963311 HHJNFUVUXYYVPT-WOJBJXKFSA-N 437.523 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(C)C)CC1 1740988760 ORCWNYLGEHHUCP-UHFFFAOYSA-N 447.605 2.475 30 10 IEEE CC(=O)NCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1741112952 PRNQILFIPVOUSA-MJGOQNOKSA-N 426.521 2.290 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(-n3cncn3)c2)CCOC1 1746649516 HIDSLBPZJQCOED-JTSKRJEESA-N 436.520 2.155 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nccc(C(F)F)n1 1747129990 LHSSAGITFXXGAR-UHFFFAOYSA-N 442.430 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc2c(c1)OCO2 1748638791 WJNWVXJAPQAKMZ-OAHLLOKOSA-N 434.456 2.191 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748817659 NRRDFHYEWQLNQH-ZACQAIPSSA-N 442.532 2.234 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCNS(C)(=O)=O 1748946566 KAVGLDCWVZZWHC-UHFFFAOYSA-N 447.561 2.259 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(F)(F)F)cc1 1748959956 BRQFNHDERPPKPI-INIZCTEOSA-N 437.422 2.262 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCn2cc(Cl)cn2)CC1 1748992635 CDFWNTBKVMVNBF-UHFFFAOYSA-N 427.915 2.313 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)C(C)C)CC1 1748992809 GRNXVCDKYFBDLH-UHFFFAOYSA-N 444.530 2.065 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1749038041 NEEVRONZCZQLSU-VQIMIIECSA-N 430.530 2.009 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1749044839 VGTGTYPHMBEGJR-INIZCTEOSA-N 429.594 2.426 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749232631 RHEXJXYWHACHKH-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749358059 BRBCKXMBENFSKM-KRWDZBQOSA-N 440.596 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@@H](F)C1 1749734242 GYQQSMOSMKVMNB-VKJFTORMSA-N 436.509 2.186 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@H](C(F)(F)F)O1 1752321343 NFSMZOQSCYZJQT-PBHICJAKSA-N 439.438 2.372 30 10 IEEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1752405952 UACGUGKKPHKLAG-ABUFQMGBSA-N 441.580 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1760125924 VXVOZEKWYMDBDC-HOTGVXAUSA-N 434.587 2.472 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@](C)(O)CC)c1 1760128094 YLPYBXMWDRIFFH-XMMPIXPASA-N 432.528 2.481 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760155333 VRUVKZOWSCTVIO-FQEVSTJZSA-N 444.605 2.324 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760162238 OURMRWUPOCOPLY-FQEVSTJZSA-N 428.581 2.068 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1760190916 WOTHTPRANZUVOJ-HNNXBMFYSA-N 444.529 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760219083 UKMJLPFVASHRNG-PKTZIBPZSA-N 433.556 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN(C(C)=O)C1 1760220675 AAJJMVXJRRZOOH-OAQYLSRUSA-N 443.555 2.238 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1760294132 OAUBYKIKIBJLHQ-KSFYIVLOSA-N 430.553 2.478 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760336273 WTVKWNYYQWSJRZ-IEBWSBKVSA-N 439.564 2.411 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760453368 UIEJDDOZBCKLEZ-LJQANCHMSA-N 432.569 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(F)cc(C)c2C1 1760553326 ASALUECGFNGNQP-UHFFFAOYSA-N 444.536 2.290 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1765437023 DEUMIZVUVDZCRH-REWPJTCUSA-N 435.532 2.470 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCCCCO)cc1 1770741162 YWZMNJPDXADWMB-RTWAWAEBSA-N 441.532 2.276 30 10 IEEE N#CCOc1ccccc1C(=O)N1C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc21 1849948818 ISKPXJWNFKMFJE-KRWDZBQOSA-N 425.466 2.319 30 10 IEEE Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN(c2nccc(C#N)n2)CC1 1851123833 REEUZIYTRRMFPD-NSHDSACASA-N 427.818 2.435 30 10 IEEE C#CCOc1ccccc1C(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 1851758952 UDFRGPCHKDNKFR-UHFFFAOYSA-N 428.286 2.454 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)Cc3ccc(I)cc3)CO2)nc1 1852165015 ZWGNLPIMFBVBNI-OAHLLOKOSA-N 435.221 2.464 30 10 IEEE CCc1c(C(=O)Nc2c(C#N)cnn2CC(F)(F)F)nnn1-c1ccc2c(c1)OCCO2 1852709082 YNFDCMXPWRRFAM-UHFFFAOYSA-N 447.377 2.484 30 10 IEEE COCc1c(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nnn1-c1ccc(F)cc1 1853031657 ZCZRIUDUGCAHDB-UHFFFAOYSA-N 449.386 2.037 30 10 IEEE CC(C)c1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857039638 XTMIOGCNGSTRIB-FQEVSTJZSA-N 431.558 2.293 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cccc(N(C)C)c2)cc1=O 1871009400 UGUSYSLXZJSWPH-UHFFFAOYSA-N 440.525 2.234 30 10 IEEE C=CCNC(=O)[C@@H](CSCc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872597495 UOCBZOJADFSEPR-MRXNPFEDSA-N 435.527 2.477 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(CC)c([N+](=O)[O-])c3)CC2)CC1=O 1872917495 CODVFQBFSJVTGA-KRWDZBQOSA-N 428.489 2.369 30 10 IEEE COc1ncc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1Cl 1889379166 IZQILONXMHYBDB-UHFFFAOYSA-N 448.995 2.394 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)CC1 1890180133 WPDNACPHDWZZLS-UHFFFAOYSA-N 428.533 2.165 30 10 IEEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891476468 JGQLTDWRLHGYHC-QGZVFWFLSA-N 431.452 2.191 30 10 IEEE CCCN[C@H](C#N)Cn1c(C)nc(I)c1I 1936400387 VTESFHOCZVIZLT-MRVPVSSYSA-N 444.058 2.293 30 10 IEEE C=CCC1(NC(=O)C2=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022920473 OWBQZOVWORIKFH-JKSUJKDBSA-N 437.537 2.253 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCc2c(C#N)cccc21 2189920802 BNUNRTHOUIIKRS-NRFANRHFSA-N 427.457 2.275 30 10 IEEE Cc1cnc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224094075 KHTXDRDZMZQLSJ-HZPDHXFCSA-N 433.358 2.154 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(O)[C@H](N)C#Cc1ccccc1Br 2227479107 YAEWRPUPKWCNHC-MDZRGWNJSA-N 425.323 2.173 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2247832428 PCUXALPYGNKDBK-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247910499 MCTYAULYMFUDLK-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE Cc1cnc(N(CCO)CCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255076543 OQTQKIIFRGSSKR-UHFFFAOYSA-N 435.374 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCC1 2255631709 CVMLURQGJFCBKT-UHFFFAOYSA-N 434.346 2.182 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255698761 KMFOYZIRTFALKI-YOEHRIQHSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2255872066 RIQFLDRWEKWXSS-ZHRRBRCNSA-N 434.342 2.154 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267004215 BKIRONIYCFVGDJ-CHWSQXEVSA-N 441.259 2.052 30 10 IEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(Cc2ccccc2)C1 2267176507 ARNJELXLAPMUMT-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE COC[C@]12CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]1CN(S(=O)(=O)N(C)C)C2 2297649102 QIJRHZDXBGVFGP-CRAIPNDOSA-N 446.495 2.158 30 10 IEEE CCc1nnc(SCC(=O)OC)n1N=Cc1cc(Br)cc(OC)c1O 2321014865 LPPJRWMRYSKIJA-UHFFFAOYSA-N 429.296 2.465 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322309162 OFWDKEMMVULQNK-UHFFFAOYSA-N 437.321 2.350 30 10 IEEE COC(=O)CSc1nnc(CC(C)C)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331460619 KUCXAXBKFRZYQF-UHFFFAOYSA-N 435.462 2.303 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cnn(Cc3ccccc3)c2)n1C 2337400149 PDGXOVJRXGNYQU-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)cc1F 102756766 MVQYKWSTWXZAFC-HQMFNGAOSA-N 430.432 2.181 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC)CC1 460538926 LAXILPWPRBYDOM-UHFFFAOYSA-N 432.594 2.304 30 10 IEEE CCOC(=O)[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 461191661 HVHRQOXUHWFRSR-UXHICEINSA-N 448.479 2.226 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(OCCCOC)C1 478564829 ZAJHDRLYIOYLSP-UHFFFAOYSA-N 427.295 2.362 30 10 IEEE C=CCN(C(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1nc(C(=O)OCC)cs1 501910285 DCTSGDLIRQXYHD-UHFFFAOYSA-N 428.470 2.311 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(F)cccc3F)c2=O)cn1 523864863 GLYFALMGGJQDDL-UHFFFAOYSA-N 440.475 2.266 30 10 IEEE COc1ccc([C@H](CNCCS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)cc1 549111160 QAUDBUGWLMPXDK-QFIPXVFZSA-N 429.542 2.004 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 559239406 CLDMVBQDYTTZKQ-MSOLQXFVSA-N 425.489 2.155 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N(C)C[C@H](C)C#N 576055647 APPKRODXTNIGAQ-QGZVFWFLSA-N 444.561 2.138 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N(CCO)Cc1cc(Br)cs1 581516956 FIHMDUBXFQMIGM-CQSZACIVSA-N 429.340 2.375 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 609694334 KOWZPDWQENNTCA-REWPJTCUSA-N 433.512 2.266 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@H]1CCCO1 683734167 XQMFMYYKTMMERY-LJQANCHMSA-N 433.533 2.365 30 10 IEEE N#C[C@H]1CN(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)CCN1C1CC1 732664538 LECQNRVWXZLEBC-ZDUSSCGKSA-N 429.571 2.318 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(C#N)cc1 740206817 VFGXPPFGUNGWDI-PXNSSMCTSA-N 448.431 2.404 30 10 IEEE C#CCN(CC(=O)O)C(=O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21 757447011 USVVHUCMBOJTLZ-UHFFFAOYSA-N 436.464 2.088 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1 764074112 CWLVJZNWTMIDNE-UXHICEINSA-N 433.480 2.052 30 10 IEEE N#Cc1ccc(CNC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)cc1 768419497 GUQJAZGQYIPVOZ-UHFFFAOYSA-N 448.487 2.468 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1 768759448 YSPUHAVRAHMPQV-PNHQUUAESA-N 442.488 2.132 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 774261609 BNMLSHAFVXDSEJ-BXWFABGCSA-N 441.956 2.304 30 10 IEEE CN(C)c1nccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 775659635 ZTXGEDRRRMTBJQ-QGZVFWFLSA-N 442.520 2.482 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC[C@H]1CCOC1 784119424 UXISWFKMBIBTRP-HKUYNNGSSA-N 432.590 2.421 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC[C@H](OC)C(F)(F)F)C1=O 786690504 VIWPZBNFXSAMDT-RBNDABMNSA-N 432.468 2.028 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 787057404 WUHJZJUXCDKVBF-ICSRJNTNSA-N 434.452 2.277 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)n1 788999436 WAIFIGQLYYFIBG-UHFFFAOYSA-N 442.564 2.191 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)n1 789792940 CABGRQAUGYKLSL-UHFFFAOYSA-N 445.527 2.488 30 10 IEEE C[C@@H](C(=O)OCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)n1cnc(C#N)n1 798743573 ITCPYOUOKHVJMF-QKKBWIMNSA-N 443.891 2.404 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC1 802763881 KERXSDCABSSDQF-IEBWSBKVSA-N 438.532 2.079 30 10 IEEE COCCCS(=O)(=O)N1CCC(OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 802776598 FRYBLKIRAPYLKC-UHFFFAOYSA-N 426.510 2.349 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(C#N)ccn2)ccc1C 803848788 WZLCOUSMIDLWMK-UHFFFAOYSA-N 430.486 2.088 30 10 IEEE C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccc(NS(C)(=O)=O)c1 813593344 QKRMBZSLHFDMCJ-KDOFPFPSSA-N 429.502 2.249 30 10 IEEE C#CC[C@@]1(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CCCN1C(=O)OC(C)(C)C 856614764 XVXNSOAKVDLNAD-GLDPYIMESA-N 440.544 2.156 30 10 IEEE COc1nn(C)c2nc(C)c(CCC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c(C)c12 916777790 ABLIATVAEDALOM-UHFFFAOYSA-N 441.513 2.044 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(F)cc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084273472 UOTSQFAKEMNGIX-UHFFFAOYSA-N 439.432 2.004 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C 1128902770 UGLHBAGMWSLOOO-CVEARBPZSA-N 431.537 2.147 30 10 IEEE CN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(C#N)c(Cl)c1 1131996217 PDZZZPTWBNVTND-UHFFFAOYSA-N 439.946 2.500 30 10 IEEE COCCCn1nc(C(=O)Nc2ccc(C#N)cc2I)ccc1=O 1133744439 MDALNECWCTYNIF-UHFFFAOYSA-N 438.225 2.008 30 10 IEEE COc1cccc(C[C@@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)n2nnnc2C)c1 1134277595 CJJSJHAVONUCCG-VXKWHMMOSA-N 432.484 2.246 30 10 IEEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 1134490676 WKWHOOCODCMIID-HZUJVAHNSA-N 435.546 2.307 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cc[nH]n1 1136695907 RETCRZCANISEKI-CQSZACIVSA-N 434.424 2.029 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 1150648703 MHZMWVBSRWGDLI-GOSISDBHSA-N 430.505 2.264 30 10 IEEE CCO[C@@H](CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)CN(C)C 1154442543 LKUIRCGSZNPSRQ-ICSRJNTNSA-N 430.549 2.475 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)CC1 1155495248 VUEGBUFTWNXJFX-UHFFFAOYSA-N 441.528 2.418 30 10 IEEE C#C[C@@H](NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1)C1CCOCC1 1203453789 CNLGTIBOTUZFMW-GOSISDBHSA-N 444.536 2.084 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1235543882 IGHCZRLBHOTURQ-IBGZPJMESA-N 428.533 2.465 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccc3c(c2)OC(F)(F)O3)c1 1264809449 GGTXNCDZKKHNHP-UHFFFAOYSA-N 442.418 2.424 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286380882 FBUNCCBYLDCMSX-SFHVURJKSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cnn(CCOC)c1 1286404758 XOVNTEQWEDHGEJ-UHFFFAOYSA-N 425.496 2.457 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1286527318 IKHYLNGXFRUHOB-OAQYLSRUSA-N 427.530 2.156 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286784499 JRCOCUWUVVEIRS-KRWDZBQOSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286784500 JRCOCUWUVVEIRS-QGZVFWFLSA-N 441.532 2.030 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1288267695 NFCCIPJIQLOLMA-VWLOTQADSA-N 448.523 2.238 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1 1293586259 GDHYUQBAQNWDHQ-CQSZACIVSA-N 427.461 2.185 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2snnc2C)c1 1300336401 GUCMMCSTMITCAU-UHFFFAOYSA-N 425.518 2.079 30 10 IEEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1300341148 DGLAOCHBYSOBGV-QFBILLFUSA-N 429.496 2.312 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300484450 SLUVWZMTVYXCTG-IDHHARJASA-N 430.530 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H](C)C1 1300528119 PZDYUJQBXFYHIS-ZWKOTPCHSA-N 440.573 2.126 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NC2CCCCC2)CC1 1300697323 AAOVEODYBKIOPM-HXUWFJFHSA-N 428.581 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)OC)CC1 1300730930 HFSFRBCZESEVMK-IBGZPJMESA-N 439.560 2.475 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300837602 RNOOEJPWJQTSIK-KRWDZBQOSA-N 438.351 2.264 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1301194942 SEMDVYRDLWYHLP-UHFFFAOYSA-N 427.553 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCOc1cccc(Cl)c1 1301496831 HWKUFSVHTGWADF-UHFFFAOYSA-N 427.896 2.206 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC[C@H](C(F)F)N1CCOCC1 1303636089 HZBDRSBIZIDOHH-SJLPKXTDSA-N 433.507 2.358 30 10 IEEE C#CCN(C(=O)CCOc1ccc(C(N)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656436 XSGRICONTWGEHK-UHFFFAOYSA-N 429.517 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(O)Cc2ccccc2Cl)C1 1306894312 JQIZYMRBXMLTHG-CQSZACIVSA-N 432.926 2.482 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1Br 1309591235 HXCJUUBJZZXRHB-UHFFFAOYSA-N 437.254 2.118 30 10 IEEE CCn1c(S)nnc1CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1312836164 PDQSYCBKXQVCMJ-UHFFFAOYSA-N 436.545 2.081 30 10 IEEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1314756627 GKJJCZPUPPXOAB-UHFFFAOYSA-N 429.502 2.107 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1358912459 RMSXFWKAVZDRMP-FQEVSTJZSA-N 425.581 2.383 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358943771 VOEFUWMKMUQSJF-AZUAARDMSA-N 443.573 2.227 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1358954993 BXKIESGFSXPKCE-LJQANCHMSA-N 430.574 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CC(C)C)c1C 1358968677 URDGIKUFDMXSHC-UHFFFAOYSA-N 430.516 2.207 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CC 1359025593 TVQQGCUJSCMQKU-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1359028957 KOPABHFNKPIDTJ-JOCHJYFZSA-N 435.620 2.367 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCN(C)C)cc2)CC1 1359033977 XQHHDSPZDSYVGJ-UHFFFAOYSA-N 447.587 2.028 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1359055708 NAFQBIRORBBPCY-SFHVURJKSA-N 440.573 2.287 30 10 IEEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(=O)(=O)NC)CC1 1359161076 ORMFPTONMJKDAC-UHFFFAOYSA-N 427.534 2.041 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1359260696 LUGDXCNZGXURKI-IBGZPJMESA-N 443.523 2.493 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1359300022 RQBQWBGSWCHZJV-FDDCHVKYSA-N 425.533 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)CC1CC(F)(F)C1 1359334160 VRNZGRJMGNWBQP-UHFFFAOYSA-N 425.505 2.346 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCOC1 1360325155 ZDSISIVMNQTWAF-NFBKMPQASA-N 441.532 2.242 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)CCOC1 1360348620 YXAQJVYBIJKIAL-GLHSZLCASA-N 447.580 2.499 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1454867848 JFVHIONBYCBTTC-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE Cc1ccoc1C(=O)NCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1456802225 KMFORGSRNQWJHN-HNNXBMFYSA-N 428.876 2.402 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1469908519 RSJVZIKDWIIINR-UHFFFAOYSA-N 426.521 2.352 30 10 IEEE C=CCn1cc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)nn1 1470584237 NBXKMNVMHFYIFC-TZMCWYRMSA-N 432.447 2.309 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1 1471762050 SHVSPJWAMYPJEG-KRWDZBQOSA-N 443.525 2.000 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494265821 SIRMLSBKKCRKRT-NXHAUGRDSA-N 442.907 2.350 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1499331687 CUOFLCBMJGQDLK-KZNAEPCWSA-N 426.521 2.424 30 10 IEEE CN(C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1503385649 HICTUVFMWIDOMU-IBGZPJMESA-N 444.967 2.362 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1503794343 FWSPZTVFNONEMD-GOSISDBHSA-N 426.521 2.118 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507743647 IAKWOKVFISZJCL-IAGOWNOFSA-N 427.578 2.211 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507746683 AOVFVCWCDUBQCP-UHFFFAOYSA-N 448.618 2.005 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1507965678 PRAQTSVIJWBMCA-UHFFFAOYSA-N 439.607 2.240 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1515099984 PBZSFRVNMRNXEQ-IBGZPJMESA-N 437.548 2.084 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1518748210 HXPQJQMYHWXECJ-OALUTQOASA-N 428.512 2.355 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1519382540 LSGUJMXKGOGBNW-PZJWPPBQSA-N 441.532 2.112 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)COc2cccc(Br)c2C#N)O1 1524585506 AHQZBSNYKXLKHU-OFIKQIQMSA-N 437.290 2.410 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OCCC(N)=O)cc3)CC2=O)cc1Cl 1526719316 DRQYKLFGZNISSF-CQSZACIVSA-N 426.860 2.457 30 10 IEEE N#CCc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1 1530268738 KUPOWHNOHRTNBD-GOSISDBHSA-N 439.493 2.006 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1533745506 BAXWNHBPYYSHIW-HOCLYGCPSA-N 434.489 2.079 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)CC 1539346162 BUSBBXYQBJTYHP-UHFFFAOYSA-N 426.546 2.201 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCN(C)C1 1539548205 HSOMHVXSTYYQMT-PKTZIBPZSA-N 425.533 2.021 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC(F)(F)C2)CC1 1539849551 XZNQQEJNCDRPFM-HZPDHXFCSA-N 445.536 2.203 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539971478 IAMIIILXLXODSB-FQEVSTJZSA-N 437.548 2.387 30 10 IEEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1540074277 XITDJYFEHWDFDY-OAQYLSRUSA-N 426.565 2.440 30 10 IEEE COc1cccn2ncc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)c12 1540746619 CBKOJZGQRIRCFG-UHFFFAOYSA-N 433.447 2.484 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@](C)(COC)C1 1543565909 YJJBZMIRTVJIEX-SFHVURJKSA-N 427.295 2.362 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1545929390 XRGFQCIIHBEECV-LJQANCHMSA-N 438.532 2.299 30 10 IEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1555125054 DDHYXAGOEFPAFD-FQEVSTJZSA-N 431.500 2.374 30 10 IEEE CSCCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555910637 FBGXCSSSAMEHDI-ZWKOTPCHSA-N 431.610 2.329 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1560071884 QOOXGVAARNFQEQ-MSOLQXFVSA-N 448.564 2.490 30 10 IEEE COC(=O)c1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc1 1567980492 XPWCGHCTEKYHPH-BXFSZVDSSA-N 428.489 2.271 30 10 IEEE C=CCn1c(SCC(=O)N[C@@H](CO)CN2CCCC2)nnc1-c1ccc(Cl)cc1 1569932692 ZDWADOKRMOUUEW-QGZVFWFLSA-N 435.981 2.450 30 10 IEEE CSCC[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1585476666 LTSSYGDCQHMZDL-OKZBNKHCSA-N 434.558 2.148 30 10 IEEE COc1ccc(N2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)c(OC)c1 1587486950 MHXBYRCGDHFHPM-UHFFFAOYSA-N 439.516 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1587562555 QOFNNNOTJAPQDZ-LZWOXQAQSA-N 428.468 2.003 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588039940 GNQZCLWYEYPASA-JTSKRJEESA-N 446.573 2.414 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C(=O)OC 1588127314 NILDEKCYUBNXIE-MRXNPFEDSA-N 436.486 2.203 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1588166869 RXIAWDLHURNJQQ-KRWDZBQOSA-N 444.582 2.087 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nncn1C 1588181204 PMYQCGSROZSPQI-GOSISDBHSA-N 433.516 2.457 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1589403363 AABWSHIYRYDJDV-RKVPGOIHSA-N 427.343 2.465 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1593770348 ZMAFYWGDJDXVKP-GCJKJVERSA-N 436.553 2.301 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c[nH]nc3c2)CC1 1594013354 GDVOYVCLUADAMT-OAHLLOKOSA-N 429.550 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1595777116 ISCDXNWYIOIMOS-KDURUIRLSA-N 447.605 2.091 30 10 IEEE C#CCN(CC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(=O)OC(C)(C)C 1597109951 RWCKTDQWALMAFC-OAHLLOKOSA-N 426.922 2.497 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1 1598263003 NNOXSRGWELEILJ-OAHLLOKOSA-N 438.431 2.298 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1611531251 BSYIJLJAWLHADY-UHFFFAOYSA-N 432.542 2.260 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@]2(C#N)CC23CCCC3)C1 1611545470 CARBXKRWAOAZGY-YWZLYKJASA-N 425.551 2.001 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCS(C)(=O)=O 1614024443 GBSVQZQTXJOHIX-UHFFFAOYSA-N 436.969 2.127 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCOC[C@@H]1CCOC1 1614034134 BXBBLUQSPOLDAE-QFIPXVFZSA-N 438.576 2.478 30 10 IEEE CCCCOCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1614568996 FSAQDGHOLFWJLK-SFHVURJKSA-N 447.561 2.284 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1617260280 SLKRGLDWLVIHJY-HNNXBMFYSA-N 433.534 2.089 30 10 IEEE CN(C)C(=O)CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1617580661 JEQYDAWJPCCMAF-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1618575229 AQAZVAIATIGISC-DEOSSOPVSA-N 449.559 2.182 30 10 IEEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)CC1 1621835151 FDZHKPBDEFZAKG-UHFFFAOYSA-N 431.602 2.321 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1 1622494069 RYYUFQKUZTXTLV-UHFFFAOYSA-N 442.324 2.078 30 10 IEEE CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(O)C2=O)c(Cl)cc1Cl 1624906335 GHAXJSMTZAKOQP-RNCFNFMXSA-N 438.333 2.180 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)c1ccc(C(=O)NC(C)(C)C)cc1 1626675395 HSMLFBHQMRWPOI-HNNXBMFYSA-N 442.541 2.416 30 10 IEEE CNC(=O)[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Cc1ccc(F)cc1C 1627447215 BCMMECQXIFHFQY-QGZVFWFLSA-N 434.475 2.108 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc(Br)cc1 1628542560 HIERGMLPWMOBPD-INIZCTEOSA-N 425.279 2.357 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)C1 1631335191 BIBKQDVTHIFVGB-IBGZPJMESA-N 436.512 2.413 30 10 IEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1632418195 SSRFVXCSMYHQGX-QZQOTICOSA-N 442.516 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639175692 YAWHEWPTGMEDMV-FVJLSDCUSA-N 439.578 2.247 30 10 IEEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1642543428 SCKKCNDEUFEQBN-JXFKEZNVSA-N 441.576 2.407 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)ccc1F 1651916173 GSSAXKODYSYALK-PGRDOPGGSA-N 430.501 2.330 30 10 IEEE COc1ccc(NC(=O)CN2CCC[C@H](CC#N)C2)cc1S(=O)(=O)N1CCCCC1 1654207659 AOHINAKONGCZOA-QGZVFWFLSA-N 434.562 2.434 30 10 IEEE COC(=O)c1ccc(N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c(C#N)n1 1655313610 GAHLHPMMYCRZHD-QFIPXVFZSA-N 433.512 2.053 30 10 IEEE C#CCN(C(=O)NCC1(CS(C)(=O)=O)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1673681701 UGAXZASAXIWCPN-UHFFFAOYSA-N 441.594 2.246 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCC3CCN(C4CCOCC4)CC3)C2)nc1 1674311354 JMYZZSKUPCBHKI-HXUWFJFHSA-N 426.565 2.430 30 10 IEEE C#C[C@H](NC(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1)c1ccc(Br)cc1 1683507976 KWLNGXRWWYMEEL-CABCVRRESA-N 432.278 2.158 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccc(N(C)C)nc2)c1 1689873323 FBFAEDIBCIXZMP-UHFFFAOYSA-N 447.543 2.380 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689985953 FVUNDUFZOMRMRW-QZTJIDSGSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689992395 KJGACWKYILZFTN-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(OC)C1CC1 1690018195 XJUOCLFIMMKNRA-XMMPIXPASA-N 433.560 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CCC1 1690047776 YOLWHXYMLVQMTA-IBGZPJMESA-N 432.590 2.240 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nccs1 1690101060 MZFCYZPWSKHOPN-UHFFFAOYSA-N 449.540 2.266 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCSCC2)CC1 1690125402 GCTWZPCZMSJPMX-UHFFFAOYSA-N 445.036 2.326 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1690170408 HWOSNMPGUGRYTF-INIZCTEOSA-N 438.557 2.174 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1690672531 VKBNXMYTIJTSFK-QGZVFWFLSA-N 444.584 2.168 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1690731653 PLHVDRIILFSQOH-UHFFFAOYSA-N 442.589 2.429 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690970931 LEBCGCMBUWGNKD-KRWDZBQOSA-N 445.930 2.440 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1693845526 BIKAEHXJXGYRNW-NEWSRXKRSA-N 438.532 2.103 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccc(OC)nc2)c1 1705508477 WTSIKHAKVMIHJU-UHFFFAOYSA-N 434.500 2.323 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705523092 KGFGDKLIRSREJW-LJQANCHMSA-N 443.596 2.192 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1705535076 ZSSHFNAZKHSWIH-SFHVURJKSA-N 441.536 2.426 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705538660 WKOMNZIDWOJRCA-IAGOWNOFSA-N 429.546 2.067 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C)C(C)(C)C1 1705609373 ALGDIVXELKNGQE-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N1CCOCC1 1705837998 XHUGCJCDPHINNO-UHFFFAOYSA-N 434.338 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1705898840 ZIDPNYKYROZNQX-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1705946951 VQLCQYADTVEJRM-IAGOWNOFSA-N 443.639 2.157 30 10 IEEE Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)c1C 1706971933 GJSQSTZGYOYXEQ-IBGZPJMESA-N 447.499 2.434 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1709902542 RBXCAZWEXSVUCA-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1 1711198455 BMJOWPDTCICICO-LJQANCHMSA-N 442.589 2.447 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1712622838 VLCXGTLRAXSORN-NOYKIMNZSA-N 433.553 2.469 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1712875607 QIGZXJCFBXMIJZ-KUHUBIRLSA-N 448.480 2.120 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1712877593 PSOADOGQZASZBM-CEQIKUNHSA-N 430.459 2.055 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCO[C@H]2C)c1 1722305829 VOYNGYGSWUSKFT-BXKMTCNYSA-N 449.511 2.443 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(C(N)=O)CCOCC1 1722347151 VZHLBCWGAGQNMY-UHFFFAOYSA-N 438.351 2.121 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1722428841 BWRCSEWXEUGAFQ-PZJWPPBQSA-N 444.624 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cnn(C)c2)CC1 1722434596 WFIRHXLTOYOSLN-UHFFFAOYSA-N 440.349 2.245 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722507345 HZXBFZNWFQTINM-URVUXULASA-N 444.624 2.201 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722529999 KEQRFIVGSYGFES-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1722536631 GJJARVJETHXFOK-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722547368 MZAPSBRSCBKJBE-CYBMUJFWSA-N 431.349 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1722726521 CSSRKWJMKQSSQE-MRXNPFEDSA-N 429.546 2.263 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCCO1 1726636989 DRLDXAUDKQSNRY-YLJYHZDGSA-N 438.532 2.069 30 10 IEEE CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1727700571 VGZWHUDMLXCGQJ-WMZOPIPTSA-N 446.577 2.293 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1730888296 RQSDRNBEGNVALM-IBGZPJMESA-N 426.521 2.381 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740603682 ALZCJHNCROPMPG-ROUUACIJSA-N 425.533 2.285 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740622989 MIBNQEZGYPHZJZ-HQRMLTQVSA-N 445.589 2.336 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1740625434 FMOOFCYHLXQMLS-QZTJIDSGSA-N 432.546 2.057 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740669255 TYUVYNYPYVAILS-UHFFFAOYSA-N 449.559 2.468 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1740720584 DRGLGCMSTUJAQV-UHFFFAOYSA-N 432.619 2.447 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740793417 ILVIRUNXZJQWRG-VXKWHMMOSA-N 440.592 2.404 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccc(OC)c2)C1 1740986489 YYHSUMWKQCVSCN-VQTJNVASSA-N 441.532 2.350 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1744697616 MVXQAGCXCDJGHN-MRXNPFEDSA-N 448.497 2.318 30 10 IEEE CCCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1745534832 MUKVJPPEOVOARB-KKSFZXQISA-N 427.484 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccc(C(=O)N(C)C)c1 1748964798 KKRGZCXZXQMQMK-UHFFFAOYSA-N 432.528 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCc2cnc3c(Cl)cnn3c2)CC1 1748972445 JRLLTYZAGPJVBR-INIZCTEOSA-N 426.956 2.486 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1749047831 DTKOFAPEPSQYSU-DYESRHJHSA-N 430.578 2.024 30 10 IEEE C=C(C)Cn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749207331 IYRIBPFNDDFNPA-MWDXBVQZSA-N 430.553 2.340 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)no2)CC1 1749285690 UAHDCZJAFYPJCB-WMZOPIPTSA-N 436.944 2.373 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749642442 GFHRLXAOQYKJDZ-GOSISDBHSA-N 442.539 2.315 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749687148 LYCBDVSEZQBFFQ-FQEVSTJZSA-N 448.527 2.295 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@H]2C)C1 1749694912 XQINEOWYKBQVBT-KZNAEPCWSA-N 426.521 2.379 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)[C@H](C)CC)C1 1749713599 VHTLKHOQIQEBHQ-TVFCKZIOSA-N 426.583 2.023 30 10 IEEE COCCN(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1749772106 DZBNNAOMZJRJRP-KRWDZBQOSA-N 440.321 2.056 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 1750417613 FMEHPLGKNNUDMG-CZIZESTLSA-N 435.444 2.146 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1760127227 UFFWOOYGNWCHTI-YESZJQIVSA-N 433.553 2.048 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(N(C)C)CCSC1 1760165895 JXQQPYIYZZWRGI-QFIPXVFZSA-N 445.589 2.478 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CC(F)(F)CO1 1760249309 JGCLUKTVWITARM-CRAIPNDOSA-N 434.443 2.301 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCn2cccn2)CC1 1760263327 XLEMNKYKBPRLLC-UHFFFAOYSA-N 433.560 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(C)noc2C)CC1 1760269759 OGXCRHGFPPEXME-IBGZPJMESA-N 426.521 2.139 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1760272410 JIYKLRSPTYTECT-UHFFFAOYSA-N 442.589 2.474 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760305456 GQSGRLCDNHNOCO-AWEZNQCLSA-N 437.342 2.362 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 1760354109 OOOCJARIKGVRNN-UHFFFAOYSA-N 439.520 2.475 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760356401 MPNGIEFVRPILOK-IRXDYDNUSA-N 445.593 2.162 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760359589 SESXKXLYUFWFHS-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760407337 ACSKSVRCVVWRNY-QGZVFWFLSA-N 429.569 2.157 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnnn1C 1760479071 CGOOPHXSZMXYHQ-HSZRJFAPSA-N 448.531 2.171 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1760513438 XMHVFNCXEWUQFC-QFIPXVFZSA-N 429.496 2.218 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1C(C)(C)C 1760529201 ZHQUDIBICLPZAS-UHFFFAOYSA-N 440.548 2.337 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC)C1 1760542999 PLCACWBXGYTZCZ-ROUUACIJSA-N 427.505 2.076 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1760847766 CYQGZUMVHBEUJP-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC[C@H]1C 1766408168 VISLOWIYAIUJPA-MJGOQNOKSA-N 425.537 2.080 30 10 IEEE CNS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1767860774 DDXHFEOGCPPLDL-NRFANRHFSA-N 442.589 2.427 30 10 IEEE COc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)OC)CC2)n1 1768254442 GTSYGXVOGDWXQW-KRWDZBQOSA-N 448.531 2.285 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H](C)O1 1769489250 PJCYVNHDUKZLLD-JLSDUUJJSA-N 433.459 2.481 30 10 IEEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1771043085 BROIICSHDXSVCH-ZYSHUDEJSA-N 429.546 2.428 30 10 IEEE N#Cc1cnn(-c2ccc(Cl)cn2)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1852846736 KYNQTXCNFKFSAJ-SJORKVTESA-N 440.891 2.172 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CCC[C@H]3Cn3ccnn3)C2=O)c1 1853694389 PVNIJFWAUOFEDM-LPHOPBHVSA-N 426.908 2.293 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccnc3)cc2)c1 1858669127 NSWAZJOTKBYLLN-UHFFFAOYSA-N 435.465 2.394 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(Cl)cc1 1869934118 ZDWVXDTYIOSILN-SJORKVTESA-N 435.933 2.397 30 10 IEEE CCCCCCCCNC(=O)c1cc2c(N(CCO)CCO)ncnc2n1CCCOC 1873588433 BSHWUPXTTQKGDG-UHFFFAOYSA-N 449.596 2.349 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(Cl)cnc3OC)CC2)CC1 1889354765 XRZBTTWRHBQQMO-UHFFFAOYSA-N 434.968 2.006 30 10 IEEE Cc1ccc(C)c(O[C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889421819 WDCKGVLSKYTDPK-JOCHJYFZSA-N 427.589 2.329 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)C1 1910280900 MVMJQQSISCNPQC-ARFHVFGLSA-N 439.553 2.380 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)c(N)c1 2162924259 GGFIIZPWIFVTDT-UHFFFAOYSA-N 426.498 2.220 30 10 IEEE C#CC[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(=O)O 2237382893 FYFIJHSLZMAVTP-GJZGRUSLSA-N 439.306 2.478 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247833013 ZEJKJKZSBCBHGX-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2247907037 UWTOWXMJXDJZCA-UHFFFAOYSA-N 437.371 2.477 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@]34C[C@H]3CN(Cc3ccccc3)C4)ns2)OC1(C)C 2247920175 XCBRFDMQEKBSMR-KSFYIVLOSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247927153 DAOLWRYDWJBQSE-UHFFFAOYSA-N 440.371 2.007 30 10 IEEE CON(CCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2248415038 UCJZDWJFHGGVIW-UHFFFAOYSA-N 441.359 2.247 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248416414 RRXFEWMCTXKYGH-AWEZNQCLSA-N 440.371 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255597636 RFLRLOZYGMMJIE-CQSZACIVSA-N 434.346 2.086 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](O)COCc1ccccc1 2255622884 GSHOGKBAZXZLJA-KRWDZBQOSA-N 446.378 2.400 30 10 IEEE Cc1ccnc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255638155 ISWINONWLASTFM-UHFFFAOYSA-N 431.342 2.286 30 10 IEEE C[C@@H](CCCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255829244 LLWPRGBZFUDLIO-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC12CCN(C(=O)C#CB1OC(C)(C)C(C)(C)O1)CC2 2255859280 YTPGVYBJIWVENR-UHFFFAOYSA-N 434.342 2.250 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(C)(CNC(=O)OC(C)(C)C)C1 2255873503 LCYUHZVZGSHNLZ-UHFFFAOYSA-N 433.358 2.311 30 10 IEEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256635237 AAQWPZKLPCHIMF-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H]2COC[C@@H]21 2266051824 MWGDXEYDTUJWRG-CVEARBPZSA-N 449.332 2.344 30 10 IEEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267093825 YHZPSWMSRORTRD-CABCVRRESA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267119939 CJTMUDQWPYMYJZ-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2267271118 QBGSXVYWUCKISY-UHFFFAOYSA-N 443.353 2.464 30 10 IEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267284008 WQQLKEJFRKSLBH-DEOSSOPVSA-N 440.349 2.288 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267596039 YOTNSOXKWGZFFA-QZTJIDSGSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267613454 CFPSRBPLNOEMHI-GOEBONIOSA-N 446.357 2.199 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2Cl)OC1(C)C 2267706110 RKDFZAYKMRLEJT-UHFFFAOYSA-N 449.787 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268652013 ZMBLKKRXYNIXOK-CVEARBPZSA-N 447.341 2.080 30 10 IEEE Cn1cc(I)c([C@@H](O)[C@@H](N)C#Cc2cccc(Br)c2)n1 2296221396 IKYGXAKNYHPAHX-JSGCOSHPSA-N 446.086 2.200 30 10 IEEE CCCOc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329013353 YWBDQAYVDSSKFL-INIZCTEOSA-N 444.561 2.251 30 10 IEEE CC(=O)NCc1nnc(SCCCO)n1N=Cc1cc(Br)ccc1F 2330782953 DUHXVHPISWWUOS-UHFFFAOYSA-N 430.303 2.173 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2334264714 ILOPEBXUTOYWMK-UAGQMJEPSA-N 445.369 2.310 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)n1C 2337282694 GYKJSNZNLPNGRW-LJQANCHMSA-N 439.365 2.441 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)n1C 2337327606 HMJBHFGAIRMDNV-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCN(c4ccccc4)CC3)cc2C1=O 16984455 XVURTEHRIISZIR-KRWDZBQOSA-N 447.491 2.363 30 10 IEEE C=CCOc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 254303377 HJQXJSAEOXLBPK-UHFFFAOYSA-N 444.495 2.493 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)ccc1F 303495140 QOTZKEAWCRZGGE-HNNXBMFYSA-N 433.509 2.236 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ncn(Cc3cccc(Br)c3)n2)cc1C#N 427782465 VEQARCKISFVDGR-UHFFFAOYSA-N 433.291 2.465 30 10 IEEE CCCc1c(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)cnn1-c1cccc(C#N)c1 438845720 DFKZFSULKIYYQR-UHFFFAOYSA-N 426.502 2.195 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cn1 461287429 BOOAFBHCRSXMIR-LJQANCHMSA-N 436.497 2.321 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2C(C)C)c1=O 478733881 CUIFJLMDDOSYHN-UHFFFAOYSA-N 436.537 2.492 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 480111337 SISFHANRPPVGSC-SJCJKPOMSA-N 447.314 2.369 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 480114489 NRPBNWWPSCRASK-SJKOYZFVSA-N 447.314 2.369 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C#N 489510220 LQPKZSBRZHLDKC-LJQANCHMSA-N 426.498 2.379 30 10 IEEE COc1cccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)c1 505118464 DTHJRDJZVAEMEN-UHFFFAOYSA-N 425.510 2.132 30 10 IEEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508669430 IGYVDRWMXVJIOJ-VQTJNVASSA-N 436.516 2.187 30 10 IEEE Cc1c(NC(=O)[C@@H](C)SCC(=O)NC2(C#N)CCCC2)c(=O)n(-c2ccccc2)n1C 517829264 AJMIRBGVHKIZIQ-MRXNPFEDSA-N 441.557 2.497 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 523255012 BGDRGRQXCCUZKS-KBPBESRZSA-N 432.492 2.485 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 531711749 XCJDUAMXENRMNT-DOTOQJQBSA-N 435.546 2.195 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(-n2ccnn2)cc1 540592938 WEINWCLLKMBZBB-PXNSSMCTSA-N 435.557 2.388 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 540695942 DDYBAKXYOVSQMA-UHFFFAOYSA-N 443.569 2.167 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)n1 569779127 KWPLRJRAAOEXBA-UHFFFAOYSA-N 442.500 2.047 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=C)C)CC1 572902649 MMHPDZHUMKXODJ-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 588156205 LWSFBTLQWMYCQM-UHFFFAOYSA-N 443.528 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 730137225 BXIOEGSIGXMLPN-QGZVFWFLSA-N 428.537 2.432 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c(C)c1 730714390 XQMSXMFJRUKRQF-GOSISDBHSA-N 429.546 2.491 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)CC1 735864140 PKWSRZJBYBRKLI-UHFFFAOYSA-N 447.536 2.494 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)c1ccc(C#N)cc1 740218373 RWHLYPUVFJWDON-SFHVURJKSA-N 432.454 2.315 30 10 IEEE COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1ccc(OC)c(C#N)c1 747007984 NYSMMMBEBWEOTE-XMMPIXPASA-N 449.463 2.236 30 10 IEEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 750433798 IIUMYEJSNPDFPN-UHFFFAOYSA-N 445.435 2.112 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 750616281 SSXNYKCXIDDGOG-UHFFFAOYSA-N 443.912 2.247 30 10 IEEE Cc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1ccc(Br)cc1 751017201 FQJAGVXIKIFWEO-ZPHPHTNESA-N 444.289 2.199 30 10 IEEE CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1 751688972 XQKLLJLZZWNYTD-IEBWSBKVSA-N 448.589 2.262 30 10 IEEE CN=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1c[nH]c(C(=O)OC)c1 753358774 LWPSQXDMAHJQSZ-LLVKDONJSA-N 425.470 2.463 30 10 IEEE CO[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757487753 WDMMYVMBDBMGKS-OAQYLSRUSA-N 436.464 2.134 30 10 IEEE N#CCOc1cccc(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1 760605999 IQPWTXPQRIDRPE-UHFFFAOYSA-N 427.526 2.373 30 10 IEEE CC(C)(C)OC(=O)NCC1(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCCC1 768077451 DREOCOBRBKPYPB-HNENSFHCSA-N 434.537 2.494 30 10 IEEE Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)n1 780254358 JHVMOHWKRZOQHC-HRAATJIYSA-N 443.481 2.257 30 10 IEEE C[C@H](NC(=O)[C@@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 781395484 YAMYOXDVYGVLOY-LSDHHAIUSA-N 441.509 2.046 30 10 IEEE CC(C)(C#N)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 781466555 HVOCLIVLHZKEDO-UHFFFAOYSA-N 431.308 2.177 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2c(cc1Br)NC(=O)CO2 782403006 TXXYHXAYANVWLO-XTZNXHDOSA-N 438.278 2.380 30 10 IEEE C#CCn1ccc(CN(CCOC)CCS(=O)(=O)c2cccc(Br)c2)n1 789322230 DPMIKERZLZRUPR-UHFFFAOYSA-N 440.363 2.201 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nc(NCc3ccco3)ncc2Cl)n1 790104025 IGCDGRNJRUMIBP-UHFFFAOYSA-N 428.880 2.454 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc1C 791985944 ZPRFXTOABWVHOJ-LJQANCHMSA-N 442.541 2.403 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 797060186 IFWSJQWMSRBAOR-UHFFFAOYSA-N 447.904 2.318 30 10 IEEE CC(C)(C)OC(=O)N1CCCC(=NNC(=S)NCCCN2CCOCC2)CCC1 800807232 UBUZITVATYGQEO-UHFFFAOYSA-N 427.615 2.340 30 10 IEEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802615546 VYJZTXCFJUTFSF-WMZHIEFXSA-N 439.516 2.259 30 10 IEEE Cc1nnsc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 813564667 HPXWMJYOGCNPMO-CYBMUJFWSA-N 438.604 2.108 30 10 IEEE C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1 853721248 AFYULNROSUDZEE-KGLIPLIRSA-N 449.916 2.299 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)CC1 858029200 UBIWMIUIDHIPLU-VXKWHMMOSA-N 425.577 2.495 30 10 IEEE CCN(CC)c1ccc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)c(O)c1 1084571645 AMNFJZMIWTYLTP-UHFFFAOYSA-N 447.550 2.385 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC2)CCN1C1CC1 1118981029 BRLWDURNODVPOS-XJKSGUPXSA-N 446.353 2.249 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(CC#N)n3)CC2)cc1 1132801632 ZPTYLYKFHLMVMS-UHFFFAOYSA-N 426.498 2.390 30 10 IEEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccccc1Sc1ccccc1C#N 1133680243 IXFVRAFCVVSZHM-UHFFFAOYSA-N 437.568 2.497 30 10 IEEE C[C@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134274832 BNIVMFABTUKAOW-MKBNYLNASA-N 429.361 2.326 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)CCO2)cc1 1134507262 QKJXOYQUWCUCFV-IBGZPJMESA-N 434.408 2.334 30 10 IEEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1136616863 ITDASHNDVZNXGC-WMLDXEAASA-N 438.550 2.359 30 10 IEEE C#CCn1cc(CNC(=O)c2cnn(-c3ccccc3)c2I)cn1 1139861189 QEXNNVRFLKEOPO-UHFFFAOYSA-N 431.237 2.237 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3c(F)cccc3F)CC2)cc1S(=O)(=O)NCC#N 1143143340 RKLHRVDVUHBCFE-UHFFFAOYSA-N 434.468 2.038 30 10 IEEE Cn1nccc1[C@@H](O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1148575064 ZCJGBVIDJKDNSK-NRFANRHFSA-N 430.549 2.343 30 10 IEEE CCOC(=O)[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@H](O)c1cccnc1 1151408772 XRBKFEVKXVAZSN-RBUKOAKNSA-N 428.514 2.147 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)CC1 1153263074 ZFFYSNJJLSXDPF-UHFFFAOYSA-N 444.509 2.192 30 10 IEEE C#CCN1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 1155872911 GXVYNRURTMXCBB-KRWDZBQOSA-N 437.327 2.412 30 10 IEEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2OC)ccc1Cl 1159761665 HLEHSPLQSYZAPJ-HNNXBMFYSA-N 448.928 2.454 30 10 IEEE C#C[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1176833069 RDCYQZRPTNZZME-SFHVURJKSA-N 432.590 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCS(=O)(=O)C(C)(C)C3)C2)C1 1179552472 OZKHKITYOPZCQK-WZHMAMEKSA-N 439.578 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286299397 DIDMJCJKYTWDOB-XJKSGUPXSA-N 442.511 2.355 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1OC 1286302116 KELHEYNEKMEGOM-CQSZACIVSA-N 441.561 2.080 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCc2cn[nH]c2)c1 1286312384 XDRXKKWGZKMVHG-UHFFFAOYSA-N 440.511 2.286 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCN1CCN(Cc2ccccc2)CC1 1286407298 UBJOWPLUWSBQEP-UHFFFAOYSA-N 427.556 2.164 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOc1ncccc1F 1286409854 PLCBDESRSLOESP-FQEVSTJZSA-N 433.443 2.477 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1286436980 DAIRXSQNIIWJPS-QHCPKHFHSA-N 425.533 2.128 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)N(C)C 1286460695 QEMQOFMOVKVBCQ-UHFFFAOYSA-N 447.605 2.220 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC=C 1286461480 SQXLBUOJQLGAKE-UHFFFAOYSA-N 435.507 2.221 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1286503279 CYQJAQNORGXOHO-UHFFFAOYSA-N 445.499 2.398 30 10 IEEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1286713531 ZOPGVSNCCOIWRV-UHFFFAOYSA-N 437.548 2.404 30 10 IEEE C=CCn1c(N2CCC(CCCN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286778297 YEPUDIVGJWJWPZ-HSZRJFAPSA-N 433.597 2.445 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3OC(=O)O[C@@H]3C2)cc1 1286793766 LSKOYUXLIRSMQR-QZTJIDSGSA-N 441.488 2.144 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1286964610 CNMRGDWTAAXOSQ-SFHVURJKSA-N 446.559 2.336 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 1292167922 QXAWEYBOFLMHBQ-MRXNPFEDSA-N 435.487 2.406 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293066166 ADOZQVHBDLEIPG-DQRAZIAOSA-N 435.532 2.084 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1296872010 IRZBYSDLNIXSPC-GSHUGGBRSA-N 445.495 2.238 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCOC)c1 1300336836 OSOPOSVPWVQJQP-UHFFFAOYSA-N 435.532 2.232 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1300487085 FTRSPWNTTBXAMA-QGZVFWFLSA-N 433.578 2.116 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300505335 ZVCLESCREIRIKO-YTQUADARSA-N 439.541 2.011 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOC1 1300643869 VLCFTNBEKGOXJS-WMZOPIPTSA-N 449.552 2.094 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1COCCO1 1300657330 XDJMMOFXXGVMKT-QGZVFWFLSA-N 435.322 2.209 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCC1 1300813661 ONCKULARCTUTMY-HXUWFJFHSA-N 430.578 2.099 30 10 IEEE C=CCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1301234227 GGZWXWCWUJMKLV-JTAQYXEDSA-N 433.597 2.443 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301241006 KSKXZXFKFGFXBR-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301262547 XDQBFJOMLGNAHS-VQTJNVASSA-N 430.553 2.441 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2COCCO2)C1 1301566378 POKFMWYWYZAUNN-ZWKOTPCHSA-N 430.505 2.062 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1301981010 HSRZJXGCBPJZJT-BBWFWOEESA-N 434.541 2.361 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1303331258 JVOINSLWBUFABC-AUSIDOKSSA-N 438.532 2.262 30 10 IEEE CC(F)(F)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 1303784928 AAUJKUYZOULWHF-CYBMUJFWSA-N 439.492 2.012 30 10 IEEE CC1(C)CN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1303980110 RDUSOIVQHQOSIR-NRFANRHFSA-N 443.483 2.406 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 1313114159 RIAUUWJNQYZPBK-MSOLQXFVSA-N 433.553 2.462 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315811325 FXKWTESRQSLNPQ-NVXWUHKLSA-N 444.511 2.123 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc(C(C)C)n2)c1=O 1322278727 FZCWVELQZMLIIJ-UHFFFAOYSA-N 431.583 2.398 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358917220 KCXYNOGSEJXTLK-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)N(C)C)c1 1358983946 CBXCEYOMSMIJHP-VXKWHMMOSA-N 449.555 2.019 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1ccnc1C 1358992502 NJMBHVJEEHOTLH-UHFFFAOYSA-N 426.484 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1359044948 SBEKEIHGIOUHQN-SFHLNBCPSA-N 443.592 2.343 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC#C)Cc1ccc(F)cc1 1359057367 YCPJLUGPGZAPBR-GOSISDBHSA-N 446.573 2.326 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359060899 KQDICPXKNJAAAK-QGZVFWFLSA-N 443.573 2.195 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359465905 NNQSIHWERBPQKM-DRSNIGMVSA-N 439.520 2.249 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1360473852 BCYHUWWWZOZAIV-YJBOKZPZSA-N 444.609 2.317 30 10 IEEE CC1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1360827516 MRWFXWHKDLAWBE-VHEBQXMUSA-N 428.537 2.151 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2nc(O)c(C#N)cc2C)CC1 1445602157 VZGQQMYDTSHVSH-GOSISDBHSA-N 428.876 2.293 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1 1448717336 GKXXDLJJWGKLNF-UHFFFAOYSA-N 430.448 2.014 30 10 IEEE O=C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](c2ccccc2)C1 1450230688 WTHQVLTULNXREC-IBGZPJMESA-N 425.510 2.438 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)n[nH]2)c1C 1455438814 KNLMCCODHGNGFO-UHFFFAOYSA-N 440.485 2.054 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c(=O)nc1O 1468294382 FWWOKUKVJWKXIQ-UHFFFAOYSA-N 427.408 2.092 30 10 IEEE COC(=O)COc1cccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1469884423 FOZCRGFOFRSQFZ-UHFFFAOYSA-N 445.479 2.463 30 10 IEEE COC(=O)CCSc1cc(Cl)ccc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1471026275 HDBSLNHWKIRYLI-UHFFFAOYSA-N 436.877 2.158 30 10 IEEE Cc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1492776473 AFAHAYDUPQTXSN-XQDODVJUSA-N 435.532 2.218 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(OC)CC1 1503281997 HSHLWYYQWDYHMY-OAQYLSRUSA-N 446.577 2.151 30 10 IEEE CCS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1503282959 ARUMSCKFKZCCRM-HNNXBMFYSA-N 429.550 2.028 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCOC1 1503413198 RTPOJIWLEYWAPW-GOSISDBHSA-N 429.546 2.399 30 10 IEEE COC(OC)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1504010738 XZCQITTZZIAEFL-QAPCUYQASA-N 447.561 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1507518962 OORFMGOSVIWSHU-JTSKRJEESA-N 446.573 2.228 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507583420 RGEXAMIQUAXDKU-UHFFFAOYSA-N 442.520 2.476 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1507588911 SDLCVWTWIYJYSI-APWZRJJASA-N 432.521 2.311 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccn(C)n1 1507642943 DLVYQMKZZFLQBL-UHFFFAOYSA-N 426.322 2.095 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1507840240 KJXWRVPUIRYWMN-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507858128 DGVQWHIMHFSYJQ-UHFFFAOYSA-N 438.363 2.393 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507861825 SVIRLZCNCTVXHA-JXFKEZNVSA-N 443.983 2.472 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(C)C)C1 1508091503 UZTABMINCWBWDA-IBGZPJMESA-N 438.580 2.237 30 10 IEEE N#C[C@H]1COCCN1C(=O)Cc1cc(Br)cc(I)c1 1521591886 DHYLYMFQIJZCMI-LBPRGKRZSA-N 435.059 2.347 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)c2ccccc2O1 1525003690 AFUJELMBVBFLDX-KRWDZBQOSA-N 430.258 2.240 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCCOC1 1534509838 MALQUTGKOFYZHF-HTAPYJJXSA-N 430.505 2.254 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)cc2C1=O 1537620369 BENZAIICKWFQBI-ROUUACIJSA-N 425.485 2.311 30 10 IEEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1C#N 1537673174 FMRNCJUFSYEIIP-UHFFFAOYSA-N 431.539 2.072 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)O1 1538455433 DJCAWSCAINIVNJ-INDMIFKZSA-N 439.553 2.385 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)COCCO1 1538983608 URSVJFQDWHTIOY-NYHFZMIOSA-N 430.505 2.234 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1539125474 MJCSRMREOQXSPI-MRXNPFEDSA-N 447.536 2.176 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539210490 CDMZHEBQGHZGEN-KRWDZBQOSA-N 449.964 2.047 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)OCC 1539245654 JJDYTADZSWVMDD-UHFFFAOYSA-N 443.573 2.083 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(C)C2CCCC2)CC1 1539476295 UTLLNTKKOJBNRE-UHFFFAOYSA-N 435.576 2.180 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539518173 WHQOHIBZSHXYJB-SFTDATJTSA-N 446.665 2.143 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1)C1CC1 1540107915 FWVFZEFXEUFBNF-IAGOWNOFSA-N 441.623 2.052 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCC(=O)N1CCOCC1 1540184895 IGXUFKDJHUFRKL-UHFFFAOYSA-N 438.532 2.361 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1540894441 XUWHWXRFDOYIJL-UYAOXDASSA-N 430.574 2.393 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CCOC1 1544077950 NWMLOTXRADOXTC-GLHSZLCASA-N 446.596 2.168 30 10 IEEE CCC(O)(CC)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1546038278 HRCSWIRGCUSSIG-UHFFFAOYSA-N 446.559 2.408 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1COCCO1 1554325840 RDHOXBKXKCKRAM-OAHLLOKOSA-N 435.326 2.201 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOc3cccc(Br)c3C2)CC1 1559947238 NXEHOUNPQIVTSX-SFHVURJKSA-N 435.366 2.336 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1565163344 DOHPSDGISPOTSO-JOCHJYFZSA-N 434.544 2.076 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1587615422 UVKLCCRKHUVQSL-MOPGFXCFSA-N 433.560 2.406 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588016452 PGNPOXOKDBKIDG-UHFFFAOYSA-N 445.495 2.359 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 1588030347 SWJRZYZDJDRQSU-HNNXBMFYSA-N 444.586 2.255 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCN1CCOC(C)(C)C1 1588659222 FTMJYNIGDIQZGR-UHFFFAOYSA-N 429.540 2.205 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1588865355 VHSDABKHXCSMEO-FQEVSTJZSA-N 438.576 2.226 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1589028097 YFLGBYRXMAMCPK-LPHOPBHVSA-N 438.561 2.148 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1589089684 VIKMIYBXNUJLLK-UHFFFAOYSA-N 439.585 2.350 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1593735334 CWNMSIMELINBCD-UHFFFAOYSA-N 448.593 2.101 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1594600296 QGHGBUKHAKFJSI-UHFFFAOYSA-N 434.548 2.460 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1594855315 ANJLHAYZEJUXNR-PXNSSMCTSA-N 446.621 2.347 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1595171336 UOMFZKBEMDAWKA-SFHVURJKSA-N 425.537 2.093 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1598210791 IPTRBORRMMDSKB-HSZRJFAPSA-N 432.532 2.340 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1612978228 NWBLQFNULKASBW-IRXDYDNUSA-N 426.521 2.115 30 10 IEEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1613013678 AYDIPVRIAQRPCF-NVXWUHKLSA-N 446.602 2.040 30 10 IEEE CCNC(=O)c1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)cc1 1615929554 WQIHXTULUOXWOP-HNNXBMFYSA-N 449.515 2.400 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1617356299 DXTSYSWVVSIDKW-UHFFFAOYSA-N 442.467 2.287 30 10 IEEE C#Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1618125617 DXKNMWJFHCZKTO-UHFFFAOYSA-N 428.510 2.268 30 10 IEEE C=CCOc1ccccc1CNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1621798902 AFSCPDGDQNFSNC-QGZVFWFLSA-N 426.535 2.307 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 1624017871 CLMSJFZWGQGMAH-IIBYNOLFSA-N 427.526 2.025 30 10 IEEE Cc1ccc(C(=O)NCc2c(F)cccc2-n2cccn2)cc1S(=O)(=O)NCC#N 1624283930 MESIAIVIWMWFLY-UHFFFAOYSA-N 427.461 2.052 30 10 IEEE C#CCN(CC(=O)N1CCN(c2ccccc2OCCOC)CC1)C(=O)OC(C)(C)C 1629707051 YRTYINQLNFLDCE-UHFFFAOYSA-N 431.533 2.231 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N[C@@H](CC)CO)cc1 1630268769 HOZIMZQPDVLGOA-HKUYNNGSSA-N 431.533 2.361 30 10 IEEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1636391808 XUUZQFQBLJDWJT-SJKOYZFVSA-N 441.431 2.251 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 1636597434 YIZXZOUFUVMTNF-UHFFFAOYSA-N 430.505 2.131 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2N2CCOCC2)ccc1F 1637000266 DHBGJSISAMLYMS-UHFFFAOYSA-N 447.532 2.099 30 10 IEEE COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1=O 1637138656 HGXVMBDTVDBQFF-QFIPXVFZSA-N 435.528 2.211 30 10 IEEE Cc1onc(CC(=O)N2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)c1C#N 1641926952 KLJSQDRXQIBXRN-OAQYLSRUSA-N 426.477 2.041 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(C(=O)OCC)c(C)s2)s1 1642272204 QIMHIAQRJZKBCQ-UHFFFAOYSA-N 429.545 2.335 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1 1644889382 DRXCRRMNOTTXKK-UHFFFAOYSA-N 433.917 2.330 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1645045671 BZYLUSKPECMDIJ-CQSZACIVSA-N 436.896 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1649539895 SVLJFGZUBOSXNK-UZUQRXQVSA-N 426.517 2.402 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCc2ccccc2F)n1Cc1ccc(C#N)o1 1649548027 HIJIMXGWAGGQOC-CQSZACIVSA-N 446.508 2.219 30 10 IEEE O=C(CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)NCC(F)(F)F 1655004023 XVUDQPBBOUNEAS-STQMWFEESA-N 429.336 2.341 30 10 IEEE C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1664525246 LGWBKWZNOPSICC-HXUWFJFHSA-N 434.445 2.385 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1689888368 HMIRQMFONVWGNX-NRFANRHFSA-N 442.608 2.110 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1689930568 VCBKFQXQOGHUME-IAGOWNOFSA-N 449.602 2.427 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689985799 BTRUTYNVGJHLBL-HXUWFJFHSA-N 439.585 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1CCOC1 1690000315 YQIZDVCQQQHSAV-GOSISDBHSA-N 425.920 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1690236325 LJCPJANRKFLYCB-OAHAVBBTSA-N 446.596 2.281 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)C1 1690659044 IITWXVSHCFSTEP-SFHVURJKSA-N 431.500 2.222 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(N)=O)c1 1692218452 FOWSHCDXKAQJFF-UHFFFAOYSA-N 444.543 2.217 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1692560924 BGIYYNMZEABSBS-UHFFFAOYSA-N 438.532 2.463 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCOc2ccccc21 1698169454 HHFKKEAVDBCQGM-SQNIBIBYSA-N 427.505 2.297 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)C1CCCCC1 1698253681 BQDOQCBATKZBFS-YNFBMLRVSA-N 433.553 2.062 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705526332 DLYPQOGCUSINSV-QGZVFWFLSA-N 430.530 2.151 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705560988 PIILRGUWLCAFBU-SFHVURJKSA-N 432.594 2.106 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1705566580 OIUSXFLCQOBZAL-SFHVURJKSA-N 428.562 2.070 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccccc1OC 1705587730 GWVMELZMJWLYCL-IBGZPJMESA-N 435.528 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1705678034 LUTMMRBQCOLLEL-IIBYNOLFSA-N 432.521 2.423 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705746080 QDWPPDMNOMVBPO-OKZBNKHCSA-N 427.977 2.302 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1705815424 VQWIQPJHLDULOW-GOSISDBHSA-N 427.505 2.024 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2CCCO2)CC1 1705905983 NLWXRMOJFNMKOH-GOSISDBHSA-N 430.578 2.331 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705906906 SKOCMBLTZDACQZ-DLBZAZTESA-N 429.521 2.172 30 10 IEEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)o1 1708980622 FVIBVKHWKBBWPR-QGZVFWFLSA-N 440.529 2.347 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1711301828 YJANQFKXXCBPON-SJLPKXTDSA-N 432.532 2.094 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1712882395 BKRMEIYFHMORIB-YOEHRIQHSA-N 435.937 2.152 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1722291091 CDKWCBJLOHXGMY-DLBZAZTESA-N 432.569 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(C)(=O)=O 1722420488 IQYGHYCXMHEBPF-UHFFFAOYSA-N 431.345 2.383 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)(C)O 1722423373 ZVUVKSVKFFNCLP-KRWDZBQOSA-N 434.537 2.120 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(N(C)C)nc1 1722426222 CURVPIJIQIXRIZ-OAQYLSRUSA-N 448.527 2.386 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCC1 1722428673 ISTGLSVBGOSXIC-SFHVURJKSA-N 447.580 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@](C)=O)CC2)CC1 1722433507 XPPJMMWIPUAUST-HKBQPEDESA-N 449.527 2.213 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)C(C)C)CC1 1722449360 PZXTZHNCDBBNKV-XMMPIXPASA-N 441.551 2.381 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)[C@@H]1CC 1722453059 VUMQKGHANBFWAP-IBGZPJMESA-N 435.557 2.416 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1722537660 QEQGZEQIBMRDLD-FQEVSTJZSA-N 441.532 2.442 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722605937 YJBVUVCRDPOBRO-GOSISDBHSA-N 428.562 2.496 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722628247 UZESIKYDKPAKBG-DLBZAZTESA-N 445.593 2.162 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1)C1CC1 1722645287 HIDVYNHSEPTFEY-ZWKOTPCHSA-N 432.546 2.043 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1722968749 GXNDBNARFKAVSZ-QFIPXVFZSA-N 442.495 2.463 30 10 IEEE Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1724366969 GFZKYWGLBBIHET-JOCHJYFZSA-N 440.454 2.494 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1729754782 HJBREGVXKLXXSN-SFHVURJKSA-N 449.515 2.208 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1731185621 AMHZEIBSXFDFPR-PKOBYXMFSA-N 426.496 2.353 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCSc2ccccc2)CCO1 1731187492 QYHREWZPZYTJPX-QGZVFWFLSA-N 426.546 2.312 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CCOC 1740549692 GOAMKBVLJIDYHG-GOSISDBHSA-N 448.612 2.429 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CN(CC(C)C)CCO1 1740642610 SOPYMHFPWUXCCA-FQEVSTJZSA-N 426.590 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)(C)C 1740646689 IJFJYPIVHCRBIJ-QHCPKHFHSA-N 429.565 2.086 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1740671931 RVSXGUKNQUFIAE-CQSZACIVSA-N 425.605 2.279 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccc(N2CCOCC2)n1 1740940252 YGNOMIQZCBRRNX-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cc(C)cn2)C1 1740983644 MSRSZKHSWRILTR-KRWDZBQOSA-N 441.561 2.256 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1748698817 YYDILPDZNQNOIL-UHFFFAOYSA-N 438.580 2.460 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@H]1CCCN1S(C)(=O)=O 1748946527 IWNHLRVMGGYLRD-LJQANCHMSA-N 449.552 2.018 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)CC1 1748991388 VTDDCZBSUCQITC-MOPGFXCFSA-N 446.596 2.183 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1749409558 WYXLKDGVXLEGTG-UHFFFAOYSA-N 436.564 2.352 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749454931 MPXFUDMOLQFLBG-IBGZPJMESA-N 437.552 2.167 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1749582150 BUQCQXIIYVOJQV-IYBDPMFKSA-N 428.541 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749734002 CPXRCNNKGVEHJF-QLFBSQMISA-N 436.500 2.408 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)C[C@H]1C 1749879336 ZEOSYLRNOGTTIP-QGZVFWFLSA-N 431.500 2.487 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1cccs1 1750118366 QLKKRAUVZSIGEL-ZOBUZTSGSA-N 432.550 2.089 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760135581 ASNLRVTZTGFGCR-JOCHJYFZSA-N 445.571 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1760211791 MJUDDJKSNSHJRQ-VWLOTQADSA-N 449.555 2.052 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@](C)(O)C(C)C)CC1 1760268059 KUKWCBGKJMUIAQ-HSZRJFAPSA-N 427.524 2.457 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760272330 GVWVTTNXVGRNDL-IXDOHACOSA-N 426.546 2.153 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](COC)C1 1760279674 HWSQYZBBNZPILY-MRXNPFEDSA-N 448.618 2.077 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760410657 MNBKDDIAPHTNRI-GOSISDBHSA-N 427.553 2.109 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760428348 ULACACKRRABUBN-OAHLLOKOSA-N 442.545 2.071 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)C1 1760545245 QGAKJTBIFDMUNR-GOSISDBHSA-N 425.537 2.309 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760845185 BGXBPUXSUJRVDT-VQTJNVASSA-N 449.559 2.036 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCOCCS(C)(=O)=O)C1 1761545490 VSMRMVGWWCXNSZ-OAQYLSRUSA-N 449.552 2.199 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1763034173 CALVXAZAZHCLAE-CYBMUJFWSA-N 426.431 2.124 30 10 IEEE CCOc1ccccc1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1766064811 FEHDODTVMIEBKM-ZVDOUQERSA-N 441.532 2.372 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1768503741 KVCVTEVUMBDGGE-NRFANRHFSA-N 447.561 2.145 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(=O)OC(C)(C)C 1768911735 LNPMFVYLEJIEOB-HDICACEKSA-N 440.504 2.245 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1(C)C 1769110921 BEFHEKFNZWGMQM-IBGZPJMESA-N 438.532 2.116 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1772555257 QBAYFIYGTAZBFX-OAQYLSRUSA-N 438.594 2.157 30 10 IEEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2)c(C#N)cc1C#N 1851054712 MKHPYPYIGQBEMD-OAHLLOKOSA-N 443.385 2.261 30 10 IEEE O=C1C[C@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1cccc(F)c1 1852156695 CBIYHTJRFDRTHG-ZDUSSCGKSA-N 449.426 2.435 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1Cl 1853818033 MECGTLASBANKAY-UHFFFAOYSA-N 431.901 2.122 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(Cl)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636607 XGINAICAPRZTAY-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1 1858334082 BKCHMFIDCJWIOZ-LJQANCHMSA-N 445.566 2.179 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2c(c1)OCCO2 1862756386 NOAVJPONQJUAHV-HXPMCKFVSA-N 440.408 2.325 30 10 IEEE COc1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 1870144270 VRNLDCSYVQXQAB-UHFFFAOYSA-N 430.424 2.162 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1CCCC 1873554531 OYCRSGASIBKRCH-UHFFFAOYSA-N 426.565 2.160 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)NCC#CCOc3ccccc3OC)CC2=O)cc1OC 1891035684 JXKVZMAPLNLIHE-KRWDZBQOSA-N 438.480 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2010126185 XONYADGWACKJJQ-VFNWGFHPSA-N 440.541 2.062 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)C1 2020887523 YYBSIFYDDROVPI-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE Cn1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cnc1CNC(=O)OC(C)(C)C 2060818700 SHROWNVDTMRONB-GOSISDBHSA-N 438.532 2.295 30 10 IEEE C=CC1(Nc2cnn(CCN(C)C)c(=O)c2Br)CN(C(=O)OC(C)(C)C)C1 2196128949 CQLLIAWDSUJYDN-UHFFFAOYSA-N 442.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](O)[C@H](N)C#Cc2ccccc2Br)C1 2227476028 OAKMRDPKBCUUBT-BRWVUGGUSA-N 425.323 2.125 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243388805 DHLXKKBTTPVUFG-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2247906329 YUAZHHKRJWYCKD-HOTGVXAUSA-N 442.387 2.303 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2248413611 YMARFOMPQLASOV-OAHLLOKOSA-N 437.371 2.362 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2255630148 GMOYXNXKOQMRAY-KGLIPLIRSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632311 LIQQNESOWJZSOV-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255815306 LZTKVLGXEWUMRJ-CQSZACIVSA-N 436.362 2.095 30 10 IEEE C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267010566 VSGBARFMHDCTSF-IEBWSBKVSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267163812 ZIDNOROEEYPLHT-UHFFFAOYSA-N 444.341 2.001 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267266088 NFHIGCQWFZAEBS-YXJHDRRASA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267482960 LHJMSMNDGJMIBJ-ZIAGYGMSSA-N 449.332 2.411 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2267505499 JMHRIUSKQBKLTL-FZMZJTMJSA-N 444.259 2.416 30 10 IEEE C[C@H]1COC[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N1C(=O)OC(C)(C)C 2268646129 IDHRCJUOZZLPED-GOEBONIOSA-N 447.341 2.344 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271375019 WDBHDRIDFRPYMG-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1)C(=O)OC(C)(C)C 2337203136 SYIQXVCKNPOOJB-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE COc1nc(N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787183 WWENPVASGJHKAC-JSGCOSHPSA-N 443.275 2.283 30 10 IEEE Cc1ccnc(C(=O)N[C@@H](CCO)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2343462339 OQZWWHLHUUJTOZ-IBGZPJMESA-N 440.349 2.387 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)c2C)nn1 23571857 IKIPVOWVBZNADR-UHFFFAOYSA-N 426.477 2.211 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc1 103364113 KEVCESBRGNNPOK-CKBZXIGASA-N 436.537 2.447 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1 238958018 YDULANGYWZMMLK-LJQANCHMSA-N 440.525 2.421 30 10 IEEE COc1ccccc1N1C(=NC(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 254351298 UPFYHTYAMDTRLR-WMZOPIPTSA-N 432.523 2.376 30 10 IEEE COC[C@@H](C)N/C(=N/N)Nc1cc(Br)ccc1I 302327014 FQNWXTDQHIHXFH-SSDOTTSWSA-N 427.084 2.320 30 10 IEEE C[C@H](C1CC1)n1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 429625683 KQXKLZIMKWBIGR-OAHLLOKOSA-N 428.518 2.264 30 10 IEEE COc1ccccc1-n1nccc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 430719850 KZZPHHCTJHGXEB-UHFFFAOYSA-N 437.525 2.259 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 437562488 XGJKOCPHZNTQSH-RXVVDRJESA-N 440.569 2.277 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447782773 JCTCOOPKYVNKTN-UHFFFAOYSA-N 430.464 2.158 30 10 IEEE CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460848282 JENJDDKMPMDIKR-UHFFFAOYSA-N 428.562 2.477 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 468793268 BPQJZMGRLQWUEK-XLIONFOSSA-N 439.487 2.299 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 472316028 VZFNNTVTKSPELB-UHFFFAOYSA-N 432.326 2.224 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccnn2-c2ccc(F)cc2)CC1 474101347 XVKWJZNEWYGINR-UHFFFAOYSA-N 425.489 2.390 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 476926485 RUPUMUPFWXLECX-UHFFFAOYSA-N 443.478 2.482 30 10 IEEE CC(C)[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nnc2ccccn12 486498198 MOZSFTPUBPLKPT-UYAOXDASSA-N 431.500 2.398 30 10 IEEE COc1ccc([C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N2CCOCC2)cc1 502551805 ACDMMWPUKLGUFM-CVDCTZTESA-N 431.533 2.446 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 506902135 BLQODUQWZOHSBI-UHFFFAOYSA-N 433.434 2.289 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)Cc1cnccn1 508934097 IBULEXLYDZABJQ-UHFFFAOYSA-N 427.534 2.020 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 512714767 XZERGRLYTGEVLA-UHFFFAOYSA-N 437.500 2.267 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CCc2ccccc2)CC1 549188162 UEEWCXMRYINWTM-UHFFFAOYSA-N 431.544 2.007 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](n2ncc3ccccc32)C1 549657423 CQRDDVWZKCRWSN-WBVHZDCISA-N 429.550 2.266 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CC1 555383571 KAYGOYTYFQGEAC-GOSISDBHSA-N 449.559 2.030 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCOC3)CC2)c1 555449004 FKBFZSZYMSSMMP-RXVVDRJESA-N 439.516 2.322 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 577544992 OZIQPKRXQQPRHH-RDJZCZTQSA-N 428.493 2.407 30 10 IEEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)NCCc1ccc(Cl)cc1 585673943 ZWYJRRDUJBHIPC-BCBJWTNWSA-N 426.860 2.072 30 10 IEEE N#Cc1ccc(CNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(F)c1 619032875 HWDSDRTVTLCEFK-LJQANCHMSA-N 442.466 2.353 30 10 IEEE C#CCN(C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)[C@@H]1CCS(=O)(=O)C1 729332387 OQPCXXXGDHCJKC-HXUWFJFHSA-N 437.521 2.484 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N4CCC(C(N)=O)CC4)c3)cc2C1=O 739775656 XXIRAGGVQSQFTK-UHFFFAOYSA-N 432.480 2.423 30 10 IEEE COC(=O)CN1CCN(c2ccc(NC(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 747288829 SRLQFNVMMWPENM-UHFFFAOYSA-N 437.500 2.184 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CS(=O)(=O)c3ccccc32)C1=O 747785816 BQKPGKGWQIAWMV-JKSUJKDBSA-N 447.513 2.422 30 10 IEEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C#N)c(Cl)c1 762514023 YBBIWXSWSNYGDF-KRWDZBQOSA-N 431.949 2.234 30 10 IEEE CC1(C)C[C@]2(NC(=O)N(CN3CCCN(c4ccccc4C#N)CC3)C2=O)C(C)(C)O1 764918487 DMPPKPGMBXXTPX-HSZRJFAPSA-N 425.533 2.296 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3cccnc23)c(=O)n1Cc1ccon1 765146782 WXMHWHZEJDMTQM-UHFFFAOYSA-N 442.500 2.367 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)CC1 767936355 RCCGFHDSOOHJRB-XVLXNVKGSA-N 432.565 2.141 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CCC1 771073522 BKMUHKCUKPMQAJ-ZDUSSCGKSA-N 430.452 2.457 30 10 IEEE C#CCN(C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 774235379 RVHUOEBMYXQWDO-HIFRSBDPSA-N 429.336 2.048 30 10 IEEE COc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3ccnn3-c3ccccc3)c2=O)c1 790360550 PQSGCWKSDOTJOC-UHFFFAOYSA-N 425.473 2.120 30 10 IEEE C=CC[C@]1(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790547689 XGBFPOGYVWNGID-HXUWFJFHSA-N 429.583 2.120 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 802600333 QBADFOJKKXZBGV-XHSDSOJGSA-N 439.582 2.106 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 810574785 GHZIAZRTCDBVQE-CQSZACIVSA-N 431.873 2.222 30 10 IEEE COCc1ccc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 918920411 UDGHSURFRSHJML-UHFFFAOYSA-N 440.412 2.051 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1126410377 DXSXFWYCOWUTSU-LJQANCHMSA-N 431.514 2.365 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)Nc3ccc(Br)c(C#N)c3)CC2=O)cn1 1129357567 BAYJIRRGFBQOMY-CYBMUJFWSA-N 432.278 2.155 30 10 IEEE C#C[C@@H]1CCCN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1163597943 HFMPOTYHOWDNBU-QZTJIDSGSA-N 440.569 2.416 30 10 IEEE COC(=O)[C@]1(NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC[C@@H](C)c2ccccc21 1176947711 YVAMMJXUDWNCRL-ZHRMCQFGSA-N 426.561 2.234 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1189220138 CVYFKUWNWMCKQC-FQEVSTJZSA-N 441.509 2.274 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)CC1 1195464722 ZKIODFAMUDCABF-MPGHIAIKSA-N 430.496 2.092 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1264895408 XGQKNJFTPSFYFU-UHFFFAOYSA-N 430.505 2.219 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1279748391 SRKFNPGLUGNPLT-UHFFFAOYSA-N 429.498 2.176 30 10 IEEE C#C[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C1CCOCC1 1280096301 KQGZDAVACPYBLD-QGZVFWFLSA-N 432.318 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC1 1286272752 CQTWHZSFLHFYRJ-AWEZNQCLSA-N 433.354 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(C2COC2)nn1 1286423931 QYOJWUNCBOLEKD-UHFFFAOYSA-N 439.882 2.412 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1286440223 QHGPTCAREZTTCA-UHFFFAOYSA-N 444.499 2.446 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286505623 GZCQSAQBTGYAHN-HXUWFJFHSA-N 442.610 2.170 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286505944 CCMVCGWGQLEBLD-GJZGRUSLSA-N 445.511 2.043 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1286713970 KFLKFTOGEZAWQN-DYESRHJHSA-N 434.562 2.207 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(OC)cc2)C1 1286807541 DGCCAJYCIFCHST-PWIZWCRZSA-N 441.532 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC1CC1)C1CCCCC1 1286819497 MLOPXEWDQIBFLW-SFHVURJKSA-N 435.594 2.379 30 10 IEEE CC(C)OCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1288398437 DTKVWZAVVFIWJB-UHFFFAOYSA-N 431.566 2.403 30 10 IEEE CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1289131195 LCVOMIHESBCREE-UHFFFAOYSA-N 444.561 2.215 30 10 IEEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccc(C(F)(F)F)cc1 1289205119 MMLDCSJGZMQSKC-KSSFIOAISA-N 438.431 2.210 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCN2C[C@H](C)O[C@H](C)C2)n1 1290617003 FVAKACBUNZOUNT-BGYRXZFFSA-N 440.596 2.379 30 10 IEEE CN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1cccc(C#N)c1 1292031707 MKNCIRRDDNQEHU-BPQIPLTHSA-N 433.530 2.191 30 10 IEEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1297378361 FOBSIJLESCZEBU-LJQANCHMSA-N 438.550 2.104 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCn2ccnc21 1298775701 RKTSHJHIYJTQPO-GOSISDBHSA-N 439.545 2.072 30 10 IEEE CSCC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)N(C)C 1298788177 HEUJTCCRQCFFFG-HNNXBMFYSA-N 439.379 2.083 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn2ccccc12 1299184263 FAZWGOVWFLIMNX-UHFFFAOYSA-N 428.500 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 1300325391 YTEQCODMQFKNKC-PMACEKPBSA-N 440.592 2.350 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1300373377 XLHISQUSALFIRH-UHFFFAOYSA-N 429.496 2.095 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300484931 VBCUDCQWKSAUTL-FGTMMUONSA-N 432.546 2.024 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OC)c(OC)c1 1300532388 URFNZSUUARIKLE-INIZCTEOSA-N 427.892 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300570586 SUAYDUMBROFFFU-QHCPKHFHSA-N 440.551 2.418 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CC1 1300700585 SNEMUSQIYSOAOF-SFHVURJKSA-N 446.502 2.015 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300889859 RSSRJRRVZLXGCX-MZKRTTBSSA-N 440.592 2.402 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1301185821 LLNDNPIVYJXVPV-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](OC)[C@H](OC)C2)cs1 1301206090 BTCDPNSUZJTXGJ-HDICACEKSA-N 440.529 2.318 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1301257512 AJRWKHLKUCJXSV-ROUUACIJSA-N 426.583 2.026 30 10 IEEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301659560 LLLDHCFHBFACLE-HBMCJLEFSA-N 441.532 2.488 30 10 IEEE C[S@](=O)C1(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1302508048 GHWVNJSCGBJJBI-ADSBAMQRSA-N 427.574 2.483 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(C)CCN3CC4(CCOCC4)C3)ccc2c1=O 1302727624 IKCIYZIMLZQGQG-UHFFFAOYSA-N 428.558 2.056 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1305315206 WBCHOGMJLHLCOT-FIKGOQFSSA-N 427.461 2.004 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 1310566405 WFUXGONVKVEWRQ-UHFFFAOYSA-N 428.533 2.160 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1313985732 BIIFCKKWUMUPGI-MBSDFSHPSA-N 435.532 2.157 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(Cl)c1 1316208308 CCRILOGEWJIYBN-ZBFHGGJFSA-N 435.912 2.441 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1358961008 QCWANLVAWUQJFO-GOSISDBHSA-N 445.589 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(O)CCC2)CC1 1359033127 QQJVTUMHOUWZET-UHFFFAOYSA-N 439.560 2.413 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2conc2COC)CC1 1359045796 UJVUFSPVDNUMFR-UHFFFAOYSA-N 428.537 2.015 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359188100 GESJMODCCUSXET-SFHVURJKSA-N 444.580 2.049 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1359291036 BXZHWNSGEONEJQ-LJQANCHMSA-N 440.548 2.311 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)C1 1359296965 ZYBZVOOICZIMBD-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H](C)c1nccs1 1359303770 AFIZGWUUJUHUBM-CQSZACIVSA-N 428.566 2.138 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1360312742 AUTSAQFCAGMFTM-QFBILLFUSA-N 432.496 2.276 30 10 IEEE C#CCN(C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C)C1CSC1 1453162177 BPGWZRKXAXHVBZ-UHFFFAOYSA-N 445.589 2.265 30 10 IEEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Br)c(C#N)n2)C1=O 1461105488 PFPMHAGHCPFMFZ-SFHVURJKSA-N 446.236 2.261 30 10 IEEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1S(N)(=O)=O 1463708697 GGSMHXFYJLBCLV-CYBMUJFWSA-N 432.889 2.159 30 10 IEEE CN(C)CCSc1nc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 1467708606 YVCUGSFOUXGTRQ-SFHVURJKSA-N 443.598 2.128 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1CSc2ccccc2O1 1469361646 QTXKHEJLASPAML-HOCLYGCPSA-N 431.539 2.285 30 10 IEEE CCOC(=O)c1ccc(NCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)nc1 1472354662 CTBXDZJPVVZBPJ-UHFFFAOYSA-N 444.532 2.437 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 1473642934 KZLZLWQNYQWIOV-LJQANCHMSA-N 437.521 2.192 30 10 IEEE CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1499600882 IJLBICNIXWOQPB-DPPKGPFUSA-N 428.537 2.325 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C1 1500563476 PCFJOWMKXNTCSJ-LJQANCHMSA-N 437.548 2.086 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1504530774 FDIRSSBVPCOFGN-HKUYNNGSSA-N 426.496 2.250 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCn1c(O)nc2ccccc21 1505057250 PKNQZXWABPVUQU-GJYPPUQNSA-N 439.520 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OCC)c(OC)c1 1507515783 WCDZZKHFJPGMNJ-MRXNPFEDSA-N 441.532 2.436 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1507575294 DXBPCUCHLADXOZ-UHFFFAOYSA-N 443.573 2.209 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cccn2)CC1 1507728878 ARHFAFHUGPNLQB-UHFFFAOYSA-N 425.487 2.189 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1507751909 PDXJZWAGOLMFSF-UHFFFAOYSA-N 426.575 2.193 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1508425847 CLVDOZRKGBMKKN-HNNXBMFYSA-N 435.525 2.417 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1508435058 UWKGBKVGKCBPFS-OIISXLGYSA-N 445.568 2.171 30 10 IEEE CO[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1517943653 CHCOXPWWASFKEE-NHCUHLMSSA-N 444.561 2.205 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCSC1 1519158347 DDFGGCLDFCUTGY-LJQANCHMSA-N 432.506 2.088 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1COCCO1 1519333420 DNTMNXCKUPVAOH-NRDMVMEKSA-N 441.532 2.161 30 10 IEEE COCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519400244 WOUUGRYKECCRTJ-LJQANCHMSA-N 430.940 2.438 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C#N)c(Cl)n1)c1ccc(S(C)(=O)=O)cc1 1524784153 LRISBQYYZMQGKU-LJQANCHMSA-N 435.889 2.218 30 10 IEEE CS(=O)(=O)C1(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCCCC1 1532345721 PZMZSACAURBLIZ-UHFFFAOYSA-N 426.560 2.241 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1539220591 UBODTAYJAKIDEC-IBGZPJMESA-N 439.541 2.149 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539752225 GIXREEBRISFUOL-ICSRJNTNSA-N 440.548 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1540898369 ILSUZMHOEQOBPW-SJORKVTESA-N 441.598 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1540902080 ZWJIAIDRMOSICF-MRXNPFEDSA-N 437.610 2.133 30 10 IEEE CC(C)CC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1543127095 WRGOTVZJYPMLKC-FRIYVGAWSA-N 432.565 2.490 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1544879825 SOIXSCZGMIUNNP-LTCJTPMSSA-N 444.536 2.050 30 10 IEEE CCc1cnc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1546345415 ILJMYIBEOZXBLR-HTXNQAPBSA-N 427.534 2.337 30 10 IEEE CN(C)CCOCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](F)(C#N)C1 1552875323 DHHOXMZCWSYQIF-QFIPXVFZSA-N 425.512 2.301 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1554531373 DJVZYOLFEPCIAH-QFIPXVFZSA-N 425.489 2.012 30 10 IEEE CO[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1555177725 LCVGGTNOKNEEHM-NXDJFEHLSA-N 430.553 2.254 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccncc1Cl 1555665580 XZFPEZBOVOBSMD-YJBOKZPZSA-N 445.955 2.275 30 10 IEEE C=CC1(CC(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)CN(C(=O)OC(C)(C)C)C1 1556406947 DMJTVBYJPSGFHJ-UHFFFAOYSA-N 440.566 2.378 30 10 IEEE CN(CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C[C@H](O)c1cccc(C#N)c1 1559975955 DHOODNBBEPFYRU-QFIPXVFZSA-N 426.561 2.211 30 10 IEEE CNC(=O)N[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1560141672 BRBPGZYPFUZYQA-IBGZPJMESA-N 440.523 2.496 30 10 IEEE C[C@@]1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCCS1(=O)=O 1565661513 FNOGLUVDWXGVMA-AEFFLSMTSA-N 440.363 2.125 30 10 IEEE CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)cc2S1(=O)=O 1570830743 DYJSUJBLQGBRDE-GOSISDBHSA-N 438.509 2.074 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1585105067 QFEWNWPWDUHISR-LCPUNJGISA-N 425.485 2.371 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1587999423 YKNQDWZXGSEWKR-SFHVURJKSA-N 445.502 2.069 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588035185 PTBVYZZVAAJEBS-INIZCTEOSA-N 426.464 2.475 30 10 IEEE C#CCN(c1nnc(COCC)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588074092 IPABIGZGDZYRSC-CEXWTWQISA-N 438.594 2.037 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCOc1ncccc1F 1588445651 PQAXKDZFTSDDOV-UHFFFAOYSA-N 428.493 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(F)cc(OC)c2)CC1 1588913343 HTUSLKFCMKWRMM-UHFFFAOYSA-N 436.491 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cc(C)on2)CC1 1588946255 AGUYHDQWSVHILR-UHFFFAOYSA-N 432.528 2.488 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589097491 QNSCYNBRFXCMHV-JOCHJYFZSA-N 427.574 2.140 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1593728710 BPHYVWHYDOBTOL-SFHVURJKSA-N 429.569 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595789652 ZDASMVQITHLMTL-HNNXBMFYSA-N 445.467 2.017 30 10 IEEE CC(C)(CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CS(C)(=O)=O 1597497505 CZOQNMMVSAXSNR-UHFFFAOYSA-N 434.518 2.210 30 10 IEEE Cc1c(C#N)c(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)nn1C 1611157595 ZWJUIEXNVFFVDH-SNVBAGLBSA-N 425.308 2.411 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1611781489 FZLZIJCCIWLMTR-UWJYYQICSA-N 435.594 2.251 30 10 IEEE CCN(CC)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615447125 HIVNNMGQRRRKIP-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1nc(C(=O)OCC)n[nH]1 1618277789 KHEZQBUANGNJDC-CABCVRRESA-N 435.525 2.492 30 10 IEEE C[C@H](CC#N)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1618825691 LTZOERWMXLYHDJ-AHRSYUTCSA-N 440.500 2.369 30 10 IEEE COCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1619563128 RGABDKIRVKXQOS-CQSZACIVSA-N 437.342 2.447 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2nc3ccc(Br)cn3c2F)CC1 1624726915 AINJEUYJTCBKLN-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)ccc1F 1624728359 GFUMWFDSPXMJIV-CHWSQXEVSA-N 429.514 2.322 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C\CN2CCOCC2)CC1 1627454931 NPPQJOCZONHAAF-COLJXDCZSA-N 433.350 2.046 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)F)CC1 1628147146 XPWZNMBHVGUUDV-UHFFFAOYSA-N 429.471 2.016 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1632227383 CYEQDYSJUNMXIO-UHFFFAOYSA-N 447.557 2.089 30 10 IEEE Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc21 1632533424 XBHADYUWZVOXTO-DGCLKSJQSA-N 438.410 2.476 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3Cc4cc(C(=O)OCC)nn4C[C@H]3C)n[nH]2)c1C 1638615243 DPZSMFXELRISFZ-CYBMUJFWSA-N 437.504 2.494 30 10 IEEE Cn1cc(N2C[C@H](C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)CCC2=O)cn1 1639957693 GSWDMSBNXKPOCU-XLIONFOSSA-N 440.935 2.226 30 10 IEEE Cc1ccc(NC(=O)[C@@H](C)Sc2ccncc2C#N)cc1S(=O)(=O)N1CCOCC1 1641268955 KXXJBHPMODOYCN-OAHLLOKOSA-N 446.554 2.402 30 10 IEEE COCCN1C[C@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1=O 1645929651 OYPRMXNNKLHEGD-OPRDCNLKSA-N 438.315 2.111 30 10 IEEE COc1nsc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1Br 1646109857 ZICKWKMQPCEMPR-NSHDSACASA-N 435.303 2.455 30 10 IEEE CONC(=O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 1648240750 OGORIQLRNOAIAF-UHFFFAOYSA-N 427.480 2.433 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)cc1 1649427723 JXRPWUSJEGQVQF-QHCPKHFHSA-N 435.528 2.407 30 10 IEEE CC(C)Oc1cc(Br)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1653759890 LIQGEULBHJKCRX-UHFFFAOYSA-N 433.262 2.067 30 10 IEEE Cc1csc(C[C@@H]2CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1654815804 POZAHXIZSJXDDM-KRWDZBQOSA-N 428.562 2.223 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 1662894375 ASAPXGGKQRCBIW-UHFFFAOYSA-N 433.429 2.319 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1663304864 IUVBOYBLRVZBKQ-UHFFFAOYSA-N 437.539 2.423 30 10 IEEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1664952643 GIWXZUONGYQOQU-UHFFFAOYSA-N 443.635 2.298 30 10 IEEE C#C[C@H](NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CCOCC1 1668728993 QMIGFXPYTGNXPB-FQEVSTJZSA-N 443.544 2.096 30 10 IEEE COC(=O)CNC(=O)Cc1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1673245942 BTJCCXOHLTXWEL-UHFFFAOYSA-N 449.511 2.180 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1 1676149506 DMXSLZOWHODMAN-UHFFFAOYSA-N 444.532 2.015 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C(F)(F)F 1687402780 WRHJHPUVVRFVFG-OAHLLOKOSA-N 445.467 2.012 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc([C@H](C)O)cc2)CC1 1690129425 XAEIXOJHWGFODC-KRWDZBQOSA-N 436.585 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@@H]2C)CC1 1690137660 GFLRKVDNJBZFLF-NRYAXDJKSA-N 443.592 2.332 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690174938 MMBKDYLHDWKJBK-MRXNPFEDSA-N 449.558 2.091 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCC(=O)N1CCOCC1 1690207740 KBCMSZCHVOLDHD-XMMPIXPASA-N 437.544 2.119 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1690321478 CFSQIIQPZWZPCW-HSZRJFAPSA-N 431.500 2.341 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1)c1ccccc1 1690442664 YHRJVFRLYQKEQM-FXAWDEMLSA-N 447.605 2.457 30 10 IEEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690629345 SEZMCVWZPGMPNP-FRQCXROJSA-N 430.505 2.363 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CC)C2)cc1 1690679992 FROOPQVDLMJGBJ-RTBURBONSA-N 446.573 2.409 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC(F)(F)CO2)C1 1690714958 ZIGRBSMWMQZATE-NXOAAHMSSA-N 428.480 2.208 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnccc1OC 1705491534 DSXFIZHLEADOSS-KRWDZBQOSA-N 432.532 2.362 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705561952 XGZMKGBIJJHIPH-AVRDEDQJSA-N 430.574 2.110 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1705579984 AOJHBUOLHOMAJW-XMMPIXPASA-N 432.528 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)Nc1ccccc1 1705580670 MOGMAJSCFKBHFK-UHFFFAOYSA-N 430.468 2.107 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1705618457 IESXVNIPIJWHBT-JKSBSHDWSA-N 433.553 2.314 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(OC)ccc2OC)CC1 1705641064 OVLPKVYAQGJQBT-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1705672799 IDVMPCXREMVSGZ-IFXJQAMLSA-N 429.322 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NC(C)=O)CC1 1705698037 PRSGUIJBXPCQMI-KPFFTGBYSA-N 435.569 2.088 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1706943950 DWONRBPIERYSSE-WMZHIEFXSA-N 436.516 2.399 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCC(F)(F)C(F)F 1709141820 GQCLHZCAIGOTGT-UHFFFAOYSA-N 441.433 2.351 30 10 IEEE CCS(=O)(=O)NCCn1c(N2CC[C@@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1710902666 AGZFXNNLGGTWHX-HXUWFJFHSA-N 446.552 2.129 30 10 IEEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)(C)C)CC[C@H]21 1711244604 VIWAODGXCKTHGK-RBUKOAKNSA-N 449.559 2.036 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1712885214 CUAACQGBBHZBDP-UHFFFAOYSA-N 431.500 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1722297208 YRSJWIRIRSZTKX-DOTOQJQBSA-N 432.546 2.094 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1722364851 JLDCXFFPTPSONW-GOSISDBHSA-N 448.614 2.257 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722366293 HTFMYGZZJNQVHA-MSOLQXFVSA-N 449.646 2.468 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCOC[C@H]1OC 1722376531 RMMYDPXFRWMBND-RHSMWYFYSA-N 432.322 2.160 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC(F)F 1722390311 PYNOLKBIPCKDSL-HNNXBMFYSA-N 433.434 2.401 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1722437650 VFASVJJXNRLXRI-IFMALSPDSA-N 440.567 2.369 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722534724 QDASYJWKXHQXSB-UHFFFAOYSA-N 441.580 2.000 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)on1 1722689318 RSVCERYHQMWPEC-UHFFFAOYSA-N 448.325 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C#N)C1 1722695950 WDVDVNPJDWTYOH-IBGZPJMESA-N 448.483 2.148 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1722862198 HJUJDYWZNPKJNJ-KRWDZBQOSA-N 440.552 2.475 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC[C@@H]1CCOC1 1723613876 CKRKILIAYDWOKY-GOSISDBHSA-N 437.548 2.041 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCOCCCO)n1 1724506439 HRBBNCOGAGUNML-QFIPXVFZSA-N 448.527 2.497 30 10 IEEE CCc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1727372119 HMHLCMIKIIQAEQ-XUTLUUPISA-N 436.516 2.259 30 10 IEEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1727772610 SZQVDMYGLINGIK-UHFFFAOYSA-N 446.577 2.294 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1729161233 FMXKHHYGYHUXRQ-LJQANCHMSA-N 447.561 2.169 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)CCO1 1731188492 GZQAVGGJCCXFJI-CQSZACIVSA-N 444.417 2.489 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccc(OC)c(OC)c2)CC1 1740695340 NTEQSUQOCWYAAE-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1740795204 PMKCIDLRKSVIEE-ZWKOTPCHSA-N 426.583 2.024 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)OC)c2)CC1 1740818421 JRXBQWRKDJFAPP-HNNXBMFYSA-N 448.549 2.271 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCCCO 1741962605 JEXUPNUWHGJCQT-YJBOKZPZSA-N 435.525 2.402 30 10 IEEE CCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1745563474 YZXQBMBZDDHJFK-XUTLUUPISA-N 440.504 2.335 30 10 IEEE CCCNC(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745777210 CWHYTJLIGDHLMO-DLBZAZTESA-N 439.568 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1748901090 RSHLGVNIWRGWKR-SFHVURJKSA-N 442.564 2.167 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1749079933 CXGSMZYBJZFODF-LYHRCORUSA-N 429.565 2.048 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749390135 AVWFASIIXYLHNY-IAGOWNOFSA-N 441.598 2.019 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C=C)CC1 1749669937 PHJAAQZFHMZXGZ-UHFFFAOYSA-N 436.564 2.157 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749671914 NSZQMXQPJCMQHW-QZTJIDSGSA-N 442.951 2.072 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1750070908 WLFFQDCPAUOIFZ-HNNXBMFYSA-N 443.533 2.135 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCN(C)C)CCOC1 1751023474 SYJGZXXXXNAJFQ-YADHBBJMSA-N 434.585 2.027 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)c2ccccc2)o1 1751495696 GVIXRXFCWMIUNF-INIZCTEOSA-N 427.486 2.049 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCOC1 1760106105 YBHOBXGKDGFQJN-YJYMSZOUSA-N 435.322 2.326 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760143295 BQJFYMCOKXBDNE-FCHUYYIVSA-N 444.624 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)[C@@H](C)CCC 1760198460 CGJSJXVKWOLHPS-SFHVURJKSA-N 435.528 2.342 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1760218022 UXZJLHZIINASFJ-INIZCTEOSA-N 446.433 2.077 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N(C)C2CC2)CC1 1760264943 ZQPSVWNTHBBTFW-SFHVURJKSA-N 426.540 2.234 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccs2)CC1 1760396219 MGTBVWKMLWFOCW-UHFFFAOYSA-N 428.562 2.408 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760452428 MXYXUQLSOUSCIZ-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1)C1CC1 1760470577 WSROHDVCQQGCNA-UGSOOPFHSA-N 425.580 2.012 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1764562644 FIRARJDFVOLDLT-LLVKDONJSA-N 439.339 2.024 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCNC(=O)C1CCC1 1764911604 FJBAMCIIGMHBSV-UHFFFAOYSA-N 439.539 2.484 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)C1 1769199345 FEYBANFYHGMVHX-GOSISDBHSA-N 434.504 2.103 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[C@@H]2COCCO2)cc1 1770740315 NQRHGTGQZZRMLL-IAGOWNOFSA-N 437.422 2.390 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)cc1 1849851304 XTBPDYZFBJCWAQ-OAQYLSRUSA-N 442.516 2.199 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1 1851523930 CEASNKBVBVVEIF-OAQYLSRUSA-N 447.539 2.234 30 10 IEEE C=CCN(C(=O)[C@H]1CN2CCN1CC2)c1nc(-c2cccc(C(F)(F)F)c2)nnc1C 1852703938 SKWBCKKLOVUTNL-QGZVFWFLSA-N 432.450 2.385 30 10 IEEE COC(=O)[C@]1(NC(=O)c2cnc3c(c2)c(C#N)cn3C)CCCN(Cc2ccccc2)C1 1852848665 FUZOVMCBSWLLHI-DEOSSOPVSA-N 431.496 2.383 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCC(Sc4ccccc4)CC3)C2=O)CC1=O 1854206149 CFHPJHSPSVVRAA-PXNSSMCTSA-N 427.570 2.405 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC[C@@H](Cn4nccn4)C3)C2=O)c1 1855216038 PDUXREZSOAHXJG-VQIMIIECSA-N 426.908 2.151 30 10 IEEE C=CCn1cc(O[C@@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c(=O)cc1C(=O)O 1857889939 AXVQZKBXWKLEJX-QWHCGFSZSA-N 426.425 2.126 30 10 IEEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccc2)CC1 1858111039 DCDUUFQFZRRKGP-GOSISDBHSA-N 426.542 2.280 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1859474217 CSNIMQXPHCGYAZ-GOSISDBHSA-N 449.463 2.030 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc1OC 1862633345 KQAWDKVHSCNHBM-HXUWFJFHSA-N 441.436 2.393 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1862754777 RSSIMQUILACCLF-KRWDZBQOSA-N 427.369 2.464 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3csc4c3CCOC4)CC2)CC1 1889303498 UUYPKQHWOLYBQH-UHFFFAOYSA-N 445.629 2.471 30 10 IEEE C=C(Br)CS(=O)(=O)NC12CC(CNC(=O)OC(C)(C)C)(C1)O[C@@H]2C 2006228350 ODQLCEXGVBKEDB-VCANKDNSSA-N 425.345 2.029 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](COCc2ccccc2)(C(=O)O)C1 2009850288 ACNOYJRRURHFGC-MBSDFSHPSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CO)C1 2044525104 JSEGDFRYROSUJZ-IBGZPJMESA-N 432.370 2.399 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@@H](N3CCN(Cc4ccccc4)CC3)C2)OC1(C)C 2172712049 SNACBBNXWKKNBV-OAQYLSRUSA-N 449.408 2.172 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ncnc(N)c2C#N)CC1 2220637295 RSYMYTKZDGKBLK-UHFFFAOYSA-N 447.540 2.225 30 10 IEEE Cc1cnc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224102591 OZUHZBYCDTUBCY-IAGOWNOFSA-N 433.358 2.471 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CN(C(=O)OC(C)(C)C)C1 2247831909 GNNWVPMKQVVSOZ-GFCCVEGCSA-N 437.371 2.428 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247840396 MFYQOZBFEYDOJU-AOMKIAJQSA-N 425.363 2.447 30 10 IEEE CCc1nc(C(=O)N(CC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2247900999 CNVLTGWEYYDMJM-UHFFFAOYSA-N 429.351 2.132 30 10 IEEE C[C@@H]1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1NC(=O)C(F)(F)F 2254792695 XSTYVZPYKIIKFE-DGCLKSJQSA-N 431.239 2.413 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCN(C)C)Cc1ccccc1 2255639217 OHXYLKQKQZIGST-UHFFFAOYSA-N 426.370 2.232 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256626914 PKUMEWZNERRKRM-WBMJQRKESA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CO1 2258961137 OZFXYXHXACZQTJ-IRXDYDNUSA-N 436.358 2.447 30 10 IEEE Cn1nc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267137703 OUTHKMVIQNXDLG-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2267155066 OHNXVMBYMKMFFR-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267268898 APXPVXMYYBTAOE-GOSISDBHSA-N 446.353 2.352 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267491402 CPLZMUWDIFZJPM-CABCVRRESA-N 448.373 2.189 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 2267494972 IOJAVAACSXVUBV-UHFFFAOYSA-N 446.357 2.016 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2267500910 QCQWJBNZJVQCPQ-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268670750 XSWJXJDNANHEQS-GJZGRUSLSA-N 447.341 2.249 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c(F)c2)OC1(C)C 2270597375 BIDABSNJXUXSRU-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE CN(CC(C)(C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2273280834 MCDJNTVPAKYQQV-UHFFFAOYSA-N 448.373 2.493 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CSCCSC1 2282317663 UUFBORWZQJFJQQ-UHFFFAOYSA-N 435.467 2.483 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccccc2C(=O)O)CC1=O 2327889368 RQIURDCPQQKMHF-HNNXBMFYSA-N 445.545 2.447 30 10 IEEE Cc1c(NN=C2C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 254352079 SUOARXQQPGGKFQ-UHFFFAOYSA-N 427.402 2.069 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 446114102 POUXHUIWESENSI-SFHVURJKSA-N 435.480 2.009 30 10 IEEE C=CCN(CC=C)C(=O)COc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2 447790137 WHALGEBCSOKAQC-UHFFFAOYSA-N 438.484 2.214 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2COCCO2)n1C[C@@H]1CCCO1 461119810 AZLOMDWPHSNHSW-PMACEKPBSA-N 427.505 2.070 30 10 IEEE C[C@@H](C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 467066762 XWDUHHCBWHCGTI-INIZCTEOSA-N 449.481 2.448 30 10 IEEE CN1CCOc2ccc(NC(=O)C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc21 473241190 FYLZXRYJYIVRBO-UHFFFAOYSA-N 447.495 2.203 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 473572616 VHEAMSZJTBUVOO-LJQANCHMSA-N 449.964 2.377 30 10 IEEE COCCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 480737276 CTONLIOMMMGXEJ-UHFFFAOYSA-N 433.505 2.375 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CN2CCCCCC2)C1 481437839 WEIHCZSGFCAESV-AZUAARDMSA-N 432.590 2.340 30 10 IEEE COc1cnccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 481475869 LMXGRQHRBVLHMR-UHFFFAOYSA-N 426.420 2.492 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)C3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 486012625 BNRXAHAGSANWMY-QFIPXVFZSA-N 430.508 2.328 30 10 IEEE N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)n2)cc1 490335796 HVWCUHIRRCOOLA-UHFFFAOYSA-N 431.861 2.423 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1 492336598 RLQKFMYHIGLUJA-UHFFFAOYSA-N 429.546 2.039 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 498578931 WYUJCGOTIIMKJU-UHFFFAOYSA-N 432.933 2.229 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H](Cc3cccnc3)NC(=O)c3ccccc3)CC2)nc1 499107168 RQASRUZEPZENSR-JOCHJYFZSA-N 440.507 2.038 30 10 IEEE COc1ccc(I)c(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505256791 DKPLOMWWNIXTPG-UHFFFAOYSA-N 427.242 2.391 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 508511998 WJGFNIICYSYMJW-KRWDZBQOSA-N 435.594 2.032 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508995688 CUIZMPPOBMIQMY-UHFFFAOYSA-N 434.529 2.049 30 10 IEEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 522895989 XWUSWRZMBJKPJL-KRWDZBQOSA-N 443.525 2.330 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 524891352 GNBISSUIPQXIRY-UHFFFAOYSA-N 433.917 2.432 30 10 IEEE CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 571595654 DTTNPKUXTUBLOZ-UHFFFAOYSA-N 431.499 2.123 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)ccc1C 580872539 BFRZRZRREJFAHR-GOSISDBHSA-N 438.549 2.278 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c(F)c1 609255624 GQFBZXQAIDULJF-UHFFFAOYSA-N 426.473 2.141 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCCC(=NO)c2ccccc21 704002931 WYYMJHKEKUZBTQ-UHFFFAOYSA-N 427.482 2.481 30 10 IEEE C#CCN(C(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCS(=O)(=O)C1 729333957 DLXCTVPKNUTQLC-LLVKDONJSA-N 437.686 2.207 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 729517596 UIYYAVOANNWBQD-JTQLQIEISA-N 439.852 2.443 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCN1C1CC1 732677210 SIDBAQCLWRCVPB-GFCCVEGCSA-N 427.818 2.283 30 10 IEEE CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732700505 HVIZGFACNYEEDA-YLJYHZDGSA-N 428.556 2.410 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC(F)F)cc3)c2=O)cn1 735069132 QKCSLAVKSNKMSR-UHFFFAOYSA-N 427.436 2.134 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCO[C@@H](C(=O)OCC)C2)c1=S 741242060 NPZUHXGGZJWLGO-MSOLQXFVSA-N 446.529 2.334 30 10 IEEE COc1ccc(CNC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1C#N 747314099 FQMQTVDDHHWNSP-UHFFFAOYSA-N 425.470 2.478 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC 757437817 LTSXGLYAWLTXHB-OAQYLSRUSA-N 436.464 2.087 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccc(C#N)nc2)C1 760136018 ZPDXGUQHBJHTEB-VQIMIIECSA-N 441.532 2.321 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(C[C@](O)(c4nccn4C)C(F)(F)F)no3)cc2C1=O 761452493 NLDLWPLETKCGRE-IBGZPJMESA-N 447.373 2.245 30 10 IEEE CS(=O)(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c(Cl)s1 763383460 YPSHWAOKMBHARE-UHFFFAOYSA-N 443.919 2.058 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCN(c3ncccc3C#N)CC2)C1 767833539 XXAPZQWKGAZPOJ-GOSISDBHSA-N 429.521 2.018 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)CCCS(=O)(=O)N1CCCC1 769721650 AYXBJIDFRCTXOL-UHFFFAOYSA-N 431.308 2.441 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 780203843 CULVFUBIWRPGCI-NRFANRHFSA-N 445.878 2.272 30 10 IEEE CCOC(=O)C1=C(C(=O)CC)[C@@H](c2c(Br)cnn2C)NC(=O)N1CC1CC1 783922145 FSJSZKAKPXOQCC-AWEZNQCLSA-N 439.310 2.455 30 10 IEEE COc1cc(Br)ccc1[C@H](C)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 786758727 OABSEQYXZMTGSQ-JCNXWTJJSA-N 437.294 2.344 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(C)c(OC)cc3C)cc2C1=O 789529447 VPLJNCBSFYIADO-UHFFFAOYSA-N 428.466 2.213 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CCN1C1CC1 792336805 FOLIBGWKNZNWSF-SFHVURJKSA-N 432.528 2.362 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 798853195 LQEWKNAJKRPIQY-SFHVURJKSA-N 433.530 2.220 30 10 IEEE C#CCN(CC)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@@H]1CCCO1 812271419 YNIDNAVBTJZADM-SFHVURJKSA-N 431.562 2.046 30 10 IEEE Cc1oc(NC(=O)[C@@H](C)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1C 921192919 RUWNXJQFEFVNHI-OAHLLOKOSA-N 447.536 2.106 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc1 1136331857 OCEMMNWEYGTIOR-MXJLDLDKSA-N 437.566 2.301 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 1136630774 YOXMDARSTJGXIB-MRXNPFEDSA-N 435.889 2.161 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)C1=O 1149433340 XQHOCONYZGBEAN-XMMPIXPASA-N 431.496 2.428 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)cc1 1156734721 FRDBTWJIOYFLEB-UHFFFAOYSA-N 435.480 2.312 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC#N)CC1 1160752663 JYWNUSRCCBPJIX-FQEVSTJZSA-N 429.565 2.116 30 10 IEEE Cn1ncc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1Br 1186705207 IBYHAKOGVSRIJZ-UHFFFAOYSA-N 425.308 2.286 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1286340350 YCKMLJKNMRLURY-UHFFFAOYSA-N 440.529 2.160 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(C)=O)nc1 1286463451 OLUIYOMWIMVSAM-UHFFFAOYSA-N 439.907 2.481 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOC2=O)cc1 1286768124 QYJBLQGYJIFTCC-UHFFFAOYSA-N 437.504 2.322 30 10 IEEE C=CCNC(=O)Cn1c(N2CCSC3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1286793770 LSRVNAZHPSTENZ-QFIPXVFZSA-N 449.621 2.489 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2)C1 1286810190 YWLYSSDDSSPYDS-ZWKOTPCHSA-N 441.532 2.270 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 1298773571 ITHHMWOULWDCTC-ZWKOTPCHSA-N 444.532 2.118 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300490036 XRIGITLIPWJVBV-IBGZPJMESA-N 437.525 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(SC)CCN(C)CC1 1300596567 UBLZWUIFDWCCHI-PMACEKPBSA-N 445.633 2.292 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCC[C@@H]2C)n1 1300681432 PEQNBBUQJKVHOU-CYFREDJKSA-N 449.559 2.374 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1300896695 IHIBSMVWARXNEP-HRAATJIYSA-N 429.496 2.256 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300990360 JRTSFVKNEIWPGL-TZIWHRDSSA-N 432.613 2.058 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOCC2(C)C)CC1 1301108691 VSVFPUUCXXHVIU-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1301460451 UJHYNAXWDNJOAM-WMZHIEFXSA-N 443.548 2.377 30 10 IEEE C=CCSCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@]1(OCC)CCOC1 1301621339 VWYDTUDSUJJMIP-JXFKEZNVSA-N 433.582 2.319 30 10 IEEE COCCN(C)CCCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301719906 WXBFSPHPBLQCJP-UHFFFAOYSA-N 441.580 2.370 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CC2)nnc1N1CC=C(C(F)(F)F)CC1 1303095851 JSJXBPBYENMEPC-ISLYRVAYSA-N 436.438 2.456 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)NCC(=O)Nc1ccccc1Br)C2 1308132056 PCEVJZSSJNYGQE-UHFFFAOYSA-N 448.346 2.077 30 10 IEEE CCOCc1nnc(N2CCN(C3CCN(C(C)C)CC3)CC2)n1Cc1ccc(C#N)o1 1314393665 DXBGMTJEVJGXNI-UHFFFAOYSA-N 441.580 2.322 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1)CC(F)(F)F 1314861674 CSNGORKWCUMJMC-INIZCTEOSA-N 435.454 2.013 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)N1CCN(CC)CC1 1358898541 VYCONZNTQJHBMU-UXHICEINSA-N 440.592 2.350 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CCCCS2(=O)=O)c1 1358901173 BIDFETHDPCRQII-IBGZPJMESA-N 443.573 2.425 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1358921482 YSFMKRNGRFGQJS-QGZVFWFLSA-N 449.552 2.442 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1358958868 XPDDXYDMDZVTEN-FQEVSTJZSA-N 441.557 2.260 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccnc(C(C)(C)C)n1 1359023768 VXUVKKQSSVJKDL-SFHVURJKSA-N 439.564 2.036 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1359068779 ORRFBHOLSZHKQN-JOCHJYFZSA-N 438.557 2.264 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359099913 UUSCFAKUMHEGJH-HOJAQTOUSA-N 444.580 2.224 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1359289217 MNOVLKIRRLFPQV-UHFFFAOYSA-N 426.496 2.255 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1359295463 BUQWWHVZPKNZGD-MRXNPFEDSA-N 432.956 2.058 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1359296060 VTRMPFNJBCGQLT-KRWDZBQOSA-N 435.536 2.095 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1359296631 PIQOMJGACLTIHO-QFIPXVFZSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1359298432 ZGHRAWCYEYBREA-LJQANCHMSA-N 447.543 2.366 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(C)(=O)=O)C1 1359314490 BWJFVYXONAKDFC-INIZCTEOSA-N 442.488 2.372 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)C1 1359315334 SHJMERSXVPLERR-GOSISDBHSA-N 429.477 2.176 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1471521534 JQSOOULPJAFJQK-UHFFFAOYSA-N 444.465 2.353 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN3Cc4ccccc4OCC3=O)n[nH]2)c1C 1471798257 MOGUHZSIQGZCRJ-UHFFFAOYSA-N 434.500 2.227 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2SC(C)C)CC1 1476199636 HYVNLPNUPMIQGH-UHFFFAOYSA-N 430.983 2.458 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCOCC3CC3)CC2)c1C#N 1492727489 VLGFXBMOGFRQPD-UHFFFAOYSA-N 426.569 2.458 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCS(C)(=O)=O 1507577793 UQVFZZCCUDYLQP-UHFFFAOYSA-N 428.356 2.320 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507589965 AKRRAXMCSJBLTB-SFHVURJKSA-N 425.537 2.448 30 10 IEEE C#CCCCn1c(N2C[C@H]3NC(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598746 IEHNMIBXXKIQJD-ZJPYXAASSA-N 442.564 2.177 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)cc2OC)CC1 1507716851 VDEQCUOTXMDCLR-UHFFFAOYSA-N 438.576 2.317 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2CCOC2)CC1 1507735590 YWGNHLLWBHZZIR-INIZCTEOSA-N 442.951 2.386 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCNC(=O)C1CCC1 1507796292 AARCWBFZDRKFGN-UYAOXDASSA-N 439.564 2.459 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1507876448 HCOUSRUKVYXUJQ-GOSISDBHSA-N 439.564 2.241 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508115077 HNCYKYFQRLEXBS-QZTJIDSGSA-N 429.521 2.123 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(C)c2)C1 1508127885 XBYVBTPVAAHRNT-MSOLQXFVSA-N 434.537 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN2CCCCC2)C1 1508136359 FEDTVPNQEWPPSR-GOSISDBHSA-N 432.594 2.186 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H]1c1nncn1C 1508143890 PMOLDTQNLCCHRB-KRWDZBQOSA-N 433.582 2.082 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOC(C)C 1509682264 DBJPEDHUDHKSPR-UHFFFAOYSA-N 443.527 2.179 30 10 IEEE COCCN1C[C@@H](Cn2c(C)nnc2N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)CC1=O 1519193505 UIHWCCYECWYLCQ-VXKWHMMOSA-N 436.560 2.412 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1519386090 VLYWDWZDIUDEFS-AVRDEDQJSA-N 443.573 2.174 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1533649946 OKQBECMXBIGZRB-MOPGFXCFSA-N 433.530 2.434 30 10 IEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OCC 1533747256 XEQCQFUGKBQUQL-GOSISDBHSA-N 444.500 2.380 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3ccc(I)cn3)CC2)nc1 1536939871 YLDTVALHDRAUNV-UHFFFAOYSA-N 433.253 2.352 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539204660 BBSFGMAGGHBSCP-MISYRCLQSA-N 430.574 2.482 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1539206656 UEYNHGSCQLUFQV-UXHICEINSA-N 430.574 2.483 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1SC 1539264970 AYNSPIKSGAAQEW-GOSISDBHSA-N 428.583 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCN(CC)CC1 1539278402 BCNKCXXZDALADD-HXUWFJFHSA-N 438.551 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCC(=O)N(C)C 1539300982 JRAYCFGVRSVGIT-UHFFFAOYSA-N 431.338 2.367 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCCC2)CC1 1539468307 CYTXGISMESOZSM-QHCPKHFHSA-N 429.565 2.086 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1539510647 LIXCVHZFVYGCFY-AWEZNQCLSA-N 425.484 2.174 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1539651432 GAEBZDXJVQAGBE-UHFFFAOYSA-N 429.550 2.287 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1540875828 YTZXPHZAMJCWCD-QFIPXVFZSA-N 443.573 2.177 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCS(=O)(=O)C1 1541111118 FQNUUIWKRWDJJE-DLBZAZTESA-N 439.545 2.161 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)C1 1547222305 FQXAIGRKIIYZSQ-VQTJNVASSA-N 440.548 2.221 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1=O 1556439649 SRRRDHUXFQTPEW-OAQYLSRUSA-N 427.509 2.351 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3c(F)cc(O)cc3F)CC2)cc1 1558516491 SVZRLXWMYCCQRF-UHFFFAOYSA-N 449.479 2.302 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3ccc(F)cc3C#N)CC2)CC1 1560011300 AGDITFHLFKVJJK-UHFFFAOYSA-N 431.512 2.488 30 10 IEEE COc1ccc(N2CC[C@@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cc1 1584229752 LIKOJOQPOMYMLD-UTKZUKDTSA-N 447.495 2.167 30 10 IEEE C#CCN(CC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1585355960 QTGPYTMLCYCFCE-UHFFFAOYSA-N 428.577 2.133 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1587562141 LSWVDAQXMZDVGI-CABCVRRESA-N 439.969 2.421 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588030500 WOBNQCWQBGVGNH-OXJNMPFZSA-N 436.603 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CC)C1 1588194179 QGORRAMHPXGEFZ-IBGZPJMESA-N 439.585 2.153 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)C 1588228829 MNNSDLWACOQBMS-ZCNNSNEGSA-N 432.590 2.094 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1F 1588574409 HDYDXNVMCFOKSB-UHFFFAOYSA-N 426.427 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1588892064 WLDNSGGFNIMNFR-QIJZPMMNSA-N 443.592 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](F)COC)CC1 1588962023 ROOZYVSACXZHEA-IBGZPJMESA-N 443.523 2.116 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589097013 KLCNVKOKKUZXQK-IBGZPJMESA-N 444.605 2.144 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1593753196 ZMEKXXXRMRMWNK-FQEVSTJZSA-N 426.565 2.015 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)cc(OC)c1OC 1598244732 AIFAMPXQILZQFJ-DLBZAZTESA-N 432.498 2.222 30 10 IEEE Cc1nnc(N2CCC(CN3CCCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612565966 CBKYAEHKDUEQOC-QURGRASLSA-N 441.580 2.205 30 10 IEEE CCc1nnc(N(C)Cc2ccc(OC)c(F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1613921947 NRMJCZNROQJTBO-VXPUYCOJSA-N 428.468 2.151 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1nc(C)c(C)s1 1614023602 CAZGJDXIDSVRDT-UHFFFAOYSA-N 425.566 2.202 30 10 IEEE CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1614514115 DTOPFTUQOOYWAN-UHFFFAOYSA-N 431.504 2.319 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 1616256291 OEEAFKWEFBNQDF-UHFFFAOYSA-N 438.915 2.356 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)OCC)cc2Br)CC1 1622584247 DWWOOKWNLZDTCV-UHFFFAOYSA-N 429.336 2.002 30 10 IEEE C[C@@H](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)NS(=O)(=O)c1cccnc1Cl 1625436376 JNZZKEYXGZZYMP-XOBRGWDASA-N 432.933 2.359 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC 1628680609 ORDOVFHOTHJTFY-GOSISDBHSA-N 430.501 2.112 30 10 IEEE COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1633167061 QBEBGZJKRIIZQT-UHFFFAOYSA-N 426.473 2.399 30 10 IEEE N#C[C@@]12CN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)C[C@H]1CS(=O)(=O)C2 1635696726 BLYFBRRJNBUFOP-MDAAJZPYSA-N 441.200 2.016 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(C2CCOCC2)n1 1640674149 OBVOPDNXMIFAFS-UHFFFAOYSA-N 445.545 2.472 30 10 IEEE C#CCOCCN(C)C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1640917589 ICIDDKPWFOAUCF-UHFFFAOYSA-N 426.292 2.402 30 10 IEEE C#CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1641287973 AFICCMSOHOGHJD-MRXNPFEDSA-N 426.494 2.379 30 10 IEEE CC(C)O[C@@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1643691529 FUNJBQOBBLYDQS-QGZVFWFLSA-N 427.505 2.344 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CCO2)cc1 1645728012 VGZIOQIWEAIECT-OAQYLSRUSA-N 425.510 2.460 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NC[C@H]3CCCN(CC#N)C3)nn2)CC1 1650833719 FNZBZJUYTKQXJX-QZTJIDSGSA-N 445.568 2.206 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](CO)[C@H](C)c2ccccc2)c(C#N)cn1CCOC 1668605565 HHPXPMPWIOXHTF-CRAIPNDOSA-N 428.489 2.469 30 10 IEEE CC#CC[C@H](CO)NC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1677278046 BZPGFHFEVICLOI-LJQANCHMSA-N 426.517 2.015 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1680723801 ZCEUUAOKPKMCFR-INIZCTEOSA-N 434.475 2.328 30 10 IEEE CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1682398635 QASYZQIIIMGNCR-XKTJCTHUSA-N 445.541 2.136 30 10 IEEE Cn1cc(CNC(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)c(-c2ccc(C#N)cc2)n1 1686077348 SKTYCILDWGCMME-MRXNPFEDSA-N 436.545 2.465 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OCCC)nc1 1689954260 QWPPQGHWPZCZNM-UHFFFAOYSA-N 429.488 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(CC)C1CC1 1690017436 DHZZEYOVMYXXTJ-UHFFFAOYSA-N 432.576 2.009 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCCC1 1690096059 MENLMHDVZAKEAZ-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2)CC1 1690153813 BRAORILRNCXYQX-UHFFFAOYSA-N 430.622 2.335 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCOC 1690243027 GKECAAYNOUKTCU-WMZOPIPTSA-N 448.593 2.302 30 10 IEEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690430032 BCFKEQKRFMLIHT-UHFFFAOYSA-N 447.609 2.311 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690449615 LRQUGQOGYUQAES-OAQYLSRUSA-N 443.640 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCC2)C1 1690663062 KWYHGYIIHNHHQB-UHFFFAOYSA-N 426.477 2.305 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690666918 KVIDDONXIQNWRT-MRXNPFEDSA-N 430.940 2.205 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)cc1 1690678434 WBYOKNZIQGLARR-YLJYHZDGSA-N 443.548 2.270 30 10 IEEE CN(Cc1ccccn1)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1696703638 XTASWBXXKAYTAJ-QZQOTICOSA-N 449.540 2.488 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1696891178 SLPJBOKHUKYTPI-SFHVURJKSA-N 432.532 2.316 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1696940297 HWLLBLPAKWZCCR-QGZVFWFLSA-N 436.545 2.182 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1F 1705476757 DWQHMPVIVHFAQF-HZPDHXFCSA-N 436.557 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1705478231 YHIZGXRDKXILEJ-JQHSSLGASA-N 438.532 2.481 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCN1CCN(Cc2ccccc2)CC1 1705603387 OJLIAAXBIWWVQU-XMMPIXPASA-N 446.599 2.410 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)NCC)CCC1 1705873441 ITVFLBJOQQPRGE-UHFFFAOYSA-N 426.521 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(F)F)C1 1705937818 FVXXEAANZJSVGZ-MRXNPFEDSA-N 442.536 2.222 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705949926 NKSVOBSAIOQETD-QGZVFWFLSA-N 443.639 2.299 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706111048 DRBAHKFVSXJAJA-CZAMPZBDSA-N 428.537 2.107 30 10 IEEE Cc1cccc(-c2nnc(N3CCSC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1707603561 CGMRSHHLSICVDF-UDJKBAMHSA-N 439.545 2.117 30 10 IEEE CCCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1709673478 SKISSZIYEIZVRZ-GOSISDBHSA-N 446.939 2.407 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1710267808 BNSUZGXLFVHCBR-SIKLNZKXSA-N 437.592 2.316 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1711288465 DNFRTVYIBIWKDB-QGZVFWFLSA-N 433.520 2.059 30 10 IEEE COC[C@H](F)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712181876 AISYEQQMTUOJEQ-WBVHZDCISA-N 432.475 2.157 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2ccco2)C1 1712875233 AQDHMHANZFQGCU-NRFANRHFSA-N 426.427 2.473 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCO[C@@H]2CCOC2)CCO1 1712886620 YUORZYBNMIIKOS-NHCUHLMSSA-N 425.533 2.378 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(F)F 1722355589 ZAAXTJGEZMBKGD-CQSZACIVSA-N 429.468 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2ccsc2)CC1 1722448493 YKMGZLUQSWQRAZ-JOCHJYFZSA-N 429.590 2.412 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](OCCOC)C1 1722508712 KGWMGCBMGDETLC-VCOUNFBDSA-N 427.549 2.487 30 10 IEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1)c1ccccc1 1722540902 ITIPWUNYFIYSBT-PMACEKPBSA-N 446.573 2.135 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2)CC1 1722581525 IUDAWJDMJJOWII-PGRDOPGGSA-N 430.574 2.490 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722625714 VZTMVMVAOJOVIB-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1722637056 FGSCKYWOKFEEHD-CYBMUJFWSA-N 426.493 2.285 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1722659053 PRVHCLQBAPNJKP-GOSISDBHSA-N 426.546 2.155 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1722671859 DLDXXDIDGMKBTH-OAHLLOKOSA-N 437.953 2.486 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C(C)C 1722696996 GJDWOOHQPHFCQY-GOSISDBHSA-N 435.532 2.119 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722698331 YQBYXHIHZIQPPH-OAHLLOKOSA-N 426.550 2.130 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccco2)C1 1722730390 QKYVZIHFNKCSLG-SFHVURJKSA-N 444.561 2.327 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740614414 QKNAIVNTVKHVJF-KRWDZBQOSA-N 433.603 2.230 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740624101 CLIOBUPNTLTKOA-GCJKJVERSA-N 448.564 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnn(CC)c1 1740630260 HGTHXTMJXUYTGI-UHFFFAOYSA-N 434.500 2.308 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nncn1C 1740643371 HHTRZWFBABCCMK-UHFFFAOYSA-N 430.299 2.414 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)(F)F 1740677246 RYERYGPLFTVKJJ-HNNXBMFYSA-N 439.413 2.239 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1740691483 FMXPPGAASBLDSP-UHFFFAOYSA-N 449.502 2.433 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 1740696986 NRWMXKWFFPSWSX-NRFANRHFSA-N 431.993 2.146 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740713417 LBJUNSMLAVEENO-VQIMIIECSA-N 438.561 2.291 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740719740 QXTQBMCNDNKGFZ-KSSFIOAISA-N 431.512 2.228 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740875802 KHTOIOBKXXFBDI-MSOLQXFVSA-N 438.594 2.168 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740957768 AHIUUBDADZMSNM-RBUKOAKNSA-N 427.553 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740992451 QLIXAIVLGFMBNC-HZPDHXFCSA-N 430.521 2.254 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1741127665 GKFKXPGWZVTZHB-GJZGRUSLSA-N 431.518 2.094 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCN(C)C1 1741127726 HHMGCAOWMDFNNJ-KUHUBIRLSA-N 433.354 2.370 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1745852677 PEGFZEVTZZKMBP-UHFFFAOYSA-N 443.533 2.084 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1747971696 OMBVHGNNMAYKCP-GOSISDBHSA-N 432.475 2.009 30 10 IEEE CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1748375350 AYAQUZNVHJPXME-MRXNPFEDSA-N 426.521 2.371 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1748817976 UFVIWTYHDHHDME-GFCCVEGCSA-N 443.392 2.340 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)C 1748844579 VVDKIQKLSPXYPC-RBUKOAKNSA-N 428.581 2.416 30 10 IEEE COc1ccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1748850296 KGQNIQWZQGXDEB-FUHIMQAGSA-N 427.505 2.377 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748921407 RMPUNFSDQALTNH-UHFFFAOYSA-N 429.528 2.148 30 10 IEEE COc1cccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1748965105 HLZZPWRKLRNXFK-MBOZVWFJSA-N 427.505 2.377 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749129411 CUGJITJTDRBBKS-YRPNKDGESA-N 431.581 2.456 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749226423 PXUNTCPTGGTDFF-RBUKOAKNSA-N 427.553 2.477 30 10 IEEE COCCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749593550 AIHFINVVQFCESM-IBGZPJMESA-N 439.564 2.438 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1CC 1749666723 QUTDRKYZYDDJDB-YJBOKZPZSA-N 435.532 2.119 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1750048249 MVGJFWJDIZXIGM-HXUWFJFHSA-N 436.520 2.130 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1750463919 QORCATIEHZOJFK-QFIPXVFZSA-N 439.520 2.194 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(C)c1 1760126730 HUMRYACXEVOREQ-HOJAQTOUSA-N 425.533 2.198 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760162359 RIGIFNMMYWPCFC-FCEUIQTBSA-N 442.608 2.312 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1760230088 QESDZZYXVOLVSI-HSZRJFAPSA-N 427.549 2.269 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC=CCO1 1760238379 TXVRCOSNTLMJET-QHCPKHFHSA-N 434.588 2.447 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)oc2ccccc12 1760242782 OPARFLVHZAAJBP-HNNXBMFYSA-N 445.545 2.077 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccsc2)CC1 1760270387 WFJSUSQDRSNTMS-LJQANCHMSA-N 427.574 2.442 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760348649 GKNNYITWKQVKMH-LNLFQRSKSA-N 445.568 2.407 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N2CCCC2)CCOCC1 1760502555 CQGKUFHTQOALSW-UHFFFAOYSA-N 427.553 2.019 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1760527125 NHEUWPYRWHVFNY-UHFFFAOYSA-N 440.504 2.489 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760548904 SBNPFDBARYNZRW-KRWDZBQOSA-N 437.610 2.374 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1760566224 ORRABYMEWJUION-VQIMIIECSA-N 443.639 2.157 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1760572332 WQMHXPOQEADZOZ-ROUUACIJSA-N 437.610 2.226 30 10 IEEE Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1762525436 XGCOLALCYQKCJU-HNENSFHCSA-N 430.896 2.282 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1766823698 HNLFCQWHLCGWPA-IBGZPJMESA-N 428.562 2.301 30 10 IEEE COC(OC)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1768142740 VDUFXJSUAQKHSG-JOCHJYFZSA-N 442.495 2.296 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1769266663 WXLAVPPJEUULFM-OXJNMPFZSA-N 444.511 2.128 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CCO1 1770941105 SWAQILJVGPKYET-NHCUHLMSSA-N 441.532 2.254 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CCO1 1771538293 AMUFJJYNVUBSKJ-VQIMIIECSA-N 435.937 2.107 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3[nH]nc(C#N)c3C2)c1C 1849241148 WFBONJKOLLKSRG-HXUWFJFHSA-N 441.557 2.253 30 10 IEEE N#CC1CCN(CCNC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)CC1 1850853744 YZTPTRMDJXCONX-IBGZPJMESA-N 435.576 2.176 30 10 IEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852456204 QARXXSGTCQKEKG-HOCLYGCPSA-N 442.859 2.332 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1c(F)cccc1F 1854600105 ZZOGTKLERNRSII-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862609529 PAMGUPJFSNBKTP-BUXKBTBVSA-N 440.408 2.325 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(CC)nn2CC 1864327306 SSEAOKVDMCBFJA-GOSISDBHSA-N 426.517 2.487 30 10 IEEE COc1cc(-n2nnc(C#N)c2NC(=O)COc2cc(F)ccc2F)cc(OC)c1OC 1870157742 BNSBEFMPVGXMQU-UHFFFAOYSA-N 445.382 2.460 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)[C@@H]2CCO[C@@H]2C1(C)C 1886248635 JQEKPQACQGDXKT-GTQRCTGISA-N 430.457 2.449 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CC(=O)N(Cc3c(F)cccc3F)C2)cs1 1890208241 RHEBLOVVNXCTSN-GFCCVEGCSA-N 434.468 2.116 30 10 IEEE COCC#CC[S@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892236784 CYLNXMFHQCVAKM-UKPGIYTDSA-N 441.505 2.377 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1963727726 OVKYYRDBRGVPON-QHAWAJNXSA-N 442.560 2.495 30 10 IEEE C=CCN(CCC(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1993668776 RAASUFYZZNKSND-UHFFFAOYSA-N 427.542 2.145 30 10 IEEE C=CCC1(Nc2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CN(C(=O)OC(C)(C)C)C1 2044004334 QGXCRVKSMSQEAU-UHFFFAOYSA-N 441.532 2.155 30 10 IEEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2162579770 BUPVGCSUBASVNB-MRXNPFEDSA-N 442.419 2.276 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cc(C#N)ccn1 2195272981 ISFWGSSXPAQKMR-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE Cc1cc(Cl)c(C#CCN)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2202848621 MOLUTYNJOLDWPN-UHFFFAOYSA-N 445.928 2.387 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2243435858 YHAJSMKVENNQAX-GJZGRUSLSA-N 430.376 2.491 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2247774141 TTWKTSTWCRVNEE-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247782346 UFGPDLXNZZKQTF-UHFFFAOYSA-N 430.257 2.469 30 10 IEEE C=C(CS(=O)(=O)NCCOCCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247905294 TZYPWOHQUFPLPV-UHFFFAOYSA-N 448.391 2.025 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247923449 YQJWYKZSIIUMIR-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2255598313 OAJVXQCQNDYZBQ-ZHRRBRCNSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602440 SJVOSIWHWZLUQS-NRFANRHFSA-N 434.346 2.228 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C 2255648885 FXYDLOXKXYETDK-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2267099757 NLIOOPQCAQVJRA-KBMXLJTQSA-N 446.357 2.227 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267132574 RFXSVQUMXNNTJM-PKOBYXMFSA-N 438.381 2.217 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267137298 MCLBUHMPBNWJCM-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NCC[C@H]3CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267162449 BADSPDOYNIHENO-IBGZPJMESA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267536603 KTRWGGSNLDYZGA-GOEBONIOSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@H]12 2267844631 MDJKYZOWXXXWQQ-ATZDWAIDSA-N 445.369 2.296 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268656094 SRXGZQBOXZVXIJ-SFHVURJKSA-N 446.353 2.368 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268715146 OKDVPLFTYJRMIT-OAHLLOKOSA-N 446.353 2.008 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2282017656 MYJSCAUDTIFVIM-PMACEKPBSA-N 448.376 2.370 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834610 LSMURUYBXSJSOB-UHFFFAOYSA-N 433.813 2.440 30 10 IEEE CCOc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296592310 LBYQSILYMMGUAU-HXUWFJFHSA-N 426.469 2.432 30 10 IEEE O=C(O)CN1C(=O)C(=O)C(=C(O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 2296939535 QHXDWCUTRDCIPI-MRXNPFEDSA-N 427.325 2.009 30 10 IEEE COc1nc(N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787846 GYGZLSHNOYSIQT-QWHCGFSZSA-N 443.275 2.283 30 10 IEEE C#Cc1cc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)ccc1OC 2370298372 YJQHGNWRVVJXST-NRFANRHFSA-N 430.457 2.443 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCc3nnc(C(C)(C)C)o3)n2N)cc1 20914423 YRXBAIALWBQGQO-AWQFTUOYSA-N 430.494 2.197 30 10 IEEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 29244175 GCFRGDSWWDLLSM-UHFFFAOYSA-N 434.500 2.310 30 10 IEEE C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 36314005 VESASOCBQNUBOK-OAQYLSRUSA-N 425.529 2.401 30 10 IEEE COc1ccc(C)cc1N/C(=N\C(=O)c1ccc2c(c1)OCO2)NCCN1CCOCC1 46134921 XVPOTMGCCHDLLE-UHFFFAOYSA-N 440.500 2.262 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 78602574 IMFXGKMVUIQJJF-UHFFFAOYSA-N 434.606 2.360 30 10 IEEE COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3C#N)C[C@@H]12 169681814 CPMLUEKTCKHYHM-KNQAVFIVSA-N 435.484 2.097 30 10 IEEE N#Cc1cnn(-c2ccccn2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 170498129 KYAFTXRVCBYUDP-UHFFFAOYSA-N 445.395 2.062 30 10 IEEE C#CCN(C[C@@H](NC)c1c(Br)cnn1CCN(C)C)C(=O)OC(C)(C)C 407299996 SVGXNXMVYKGWNB-OAHLLOKOSA-N 428.375 2.338 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(CCOC)C(=O)C1 460390515 WVKHKORRWRLVGL-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Cc2cccc(I)c2)CC1 471492169 JHVGXTLKCLSQGT-UHFFFAOYSA-N 432.265 2.449 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C 474331922 SZSQKWOWJWYRNJ-UHFFFAOYSA-N 432.549 2.330 30 10 IEEE CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492938950 WZGALCSJNNFJGA-ICSRJNTNSA-N 434.562 2.025 30 10 IEEE CS(=O)(=O)c1csc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 502232454 MTCJOKXLMDKEKH-UHFFFAOYSA-N 447.517 2.293 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 502551720 MRDMBBRIMGMIOV-IBGZPJMESA-N 441.575 2.279 30 10 IEEE O=C(c1cccs1)N1CCN(CC#CCN2CCN(C(=O)c3cccs3)CC2)CC1 516099548 NOTQBBKXHZLGSZ-UHFFFAOYSA-N 442.610 2.029 30 10 IEEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OCC2CC2)c1=O 516372319 GQEFGPXUOICQKF-UHFFFAOYSA-N 435.549 2.010 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 523466825 ZMUSKQRDEBVZHL-GOSISDBHSA-N 426.513 2.409 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCO2)cc1 549896796 HEFBKRMJOSBNRR-ZWKOTPCHSA-N 446.577 2.182 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 555259717 ILCJULJHNBTXFA-SFHVURJKSA-N 436.520 2.220 30 10 IEEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1cccc(Br)c1C#N 561530711 XLBQUWBJJLRIMO-NWDGAFQWSA-N 431.308 2.052 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cc(F)cc(Br)c2)c1 577683751 AGGDMVPHBSQUHO-UHFFFAOYSA-N 426.267 2.055 30 10 IEEE CCOc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cccc(C#N)c2)cc1 586145962 RMZIZYHNRMNPGU-UHFFFAOYSA-N 429.542 2.480 30 10 IEEE CCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)s1 586354673 ZXIVCRFWNVGARB-NDEPHWFRSA-N 437.572 2.238 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 609458352 QJFLTWHUBIHKRM-LJQANCHMSA-N 433.509 2.261 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 679533498 QMZQGOMHOOJYNA-IYBDPMFKSA-N 447.532 2.364 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(CCC)c2)c1=O 735069099 LQMYTRGETUBYLE-UHFFFAOYSA-N 434.521 2.097 30 10 IEEE CC(C)CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 744405745 VPKOAISHTAFFBN-ZDLGFXPLSA-N 432.590 2.393 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1(c2ccc(Br)cc2)CCOCC1 746156153 ZKAWJEHTCSEGFW-VHEBQXMUSA-N 448.317 2.488 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2Br)c1=O 758057718 ATSMHYZUWDDGAK-UHFFFAOYSA-N 427.323 2.178 30 10 IEEE CC(=O)N[C@H](CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)c1c(F)cccc1F 760399811 DHEZYFIRLTYQPJ-MRXNPFEDSA-N 427.473 2.452 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2)C1=O 771583784 WCEDWPXECQNOHV-HJPURHCSSA-N 434.452 2.118 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C 782396408 LZYACOCFESRKTD-ULYRPOKDSA-N 437.537 2.390 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cccc3cnccc23)c1=O 782919994 YXASFWBDJGXOBZ-UHFFFAOYSA-N 441.512 2.490 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C)CC2)c1C#N 788106562 NHYNTFQJZBGIPQ-YJBOKZPZSA-N 445.568 2.077 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)c1 790002863 KSQQGFKBSXBSCT-GOSISDBHSA-N 432.590 2.300 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC=C(Br)C3)CC2)cc1 799389582 FQFIQAISDSDYJX-UHFFFAOYSA-N 438.347 2.470 30 10 IEEE C#CCN(c1nnc(CCC2CCCCC2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812382458 IISXHRONHAHWEA-PMACEKPBSA-N 434.606 2.454 30 10 IEEE Cc1ccoc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 813564302 YASJKWKIZLBHFO-NWIBBQCFSA-N 443.573 2.094 30 10 IEEE Cc1ccc(CN2CCO[C@H](CNC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)cc1 1132601067 NCEAPQDYTQROPJ-OAQYLSRUSA-N 437.544 2.397 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@H](C#N)C1 1143955007 AXHIJHBDZDGZAN-MCFFVMPBSA-N 435.480 2.025 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CC[C@@H](CN(C)CC3CC3)C2)c(C#N)cn1CCOC 1203101445 BXLARZGDKWYEIU-KRWDZBQOSA-N 431.537 2.378 30 10 IEEE COCc1nn(C)cc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1264677044 PZQWAOCFLFKAHC-NMWGTECJSA-N 433.534 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc2c(c1)OCO2 1286307855 BNIKPWBLSVAQAG-FTRWYGJKSA-N 428.489 2.268 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286384991 KZEZPQWBFXMDKG-ROUUACIJSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387489 RTONZABKWCQBPI-MRXNPFEDSA-N 433.603 2.196 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1286448073 PEKFHLWUDOAKLI-LJQANCHMSA-N 427.574 2.093 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1286488099 SYLCRPZIKQXITM-NRFANRHFSA-N 430.512 2.475 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1286681403 MWRFGKMNRFDXIY-QUCCMNQESA-N 436.560 2.427 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286702759 VRDIWGHTHGFVDO-IBGZPJMESA-N 430.578 2.234 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)(F)F 1286764245 KAGJWYMQOQCUBF-AWEZNQCLSA-N 427.427 2.289 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286784281 ZXRQKEZQEYGWOR-YPMHNXCESA-N 444.845 2.452 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](Oc2ccccn2)C1 1286788699 CQEOPMVARVYODT-IBGZPJMESA-N 448.527 2.232 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1286824454 YNJJKLSYEZRCNT-HXUWFJFHSA-N 433.509 2.208 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286950825 NHSOUEYKJPPOCB-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 1300206114 DFTZSXRBWNAUFM-HTAPYJJXSA-N 426.542 2.006 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NN1CCc2ccccc2C1 1300426638 QCIVZOPJFUOIND-UHFFFAOYSA-N 426.542 2.375 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnc2n1CCC2 1300472558 DTUVBWXYFKYTGB-UHFFFAOYSA-N 442.321 2.275 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300601818 KYCZQAOXXQLTFU-IAGOWNOFSA-N 449.552 2.298 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300742940 WTKQXKQJXCYTSR-UHFFFAOYSA-N 440.617 2.084 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301148496 PNFMXMFCRYYOJD-PMACEKPBSA-N 443.640 2.436 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 1301358460 BPAIEZCWCQHKLI-LPHOPBHVSA-N 440.548 2.219 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(C)cn1 1301422301 GHPSAJNEYYNHOC-UHFFFAOYSA-N 434.504 2.438 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC2(CCOCC2)C1 1301515228 RVVMZQFEHAIHOG-UHFFFAOYSA-N 429.496 2.305 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1nnnn1CC1CC1 1301974171 NROMZCOPPJJNRA-CYBMUJFWSA-N 427.463 2.188 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3[C@@H](C(=O)OC)C2)s1 1302007417 JKCMTVXEGMYFHH-KRWDZBQOSA-N 434.539 2.054 30 10 IEEE CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1302494682 CDBUHFVMOUNKRG-UHFFFAOYSA-N 444.561 2.014 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCSCCCO)c1 1302988211 XCXMOVLMTFSKMJ-IRXDYDNUSA-N 429.502 2.046 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@H]1C 1313859379 GPABYGQVHJRRPY-IAGOWNOFSA-N 430.578 2.170 30 10 IEEE C[C@]1(c2cccc(CNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)c2)NC(=O)NC1=O 1345391652 UVODJTDFHAGEDQ-XMMPIXPASA-N 449.486 2.285 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1358932921 BUKKKOQHIPCXGS-UHFFFAOYSA-N 434.544 2.166 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1359026234 PBOLSHXLJHZGNA-RXVVDRJESA-N 431.562 2.058 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359056144 ZFGFPNKRKYWTAT-KBXCAEBGSA-N 445.511 2.125 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359222110 YBLRKKYVDVHCEK-OAHLLOKOSA-N 432.491 2.082 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359294185 NJADYOXSAYKXPS-WBVHZDCISA-N 429.521 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359326921 MZBWUTOYXWIPMS-MRXNPFEDSA-N 441.598 2.450 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1359342829 GCIXULHILWKCHU-QGZVFWFLSA-N 440.635 2.496 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359343363 RMWOQZNMUYRVEX-APWZRJJASA-N 426.608 2.106 30 10 IEEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCCC1 1360374102 NPNYLKUFTDLAFV-UHFFFAOYSA-N 447.557 2.377 30 10 IEEE N#Cc1cccc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Br 1435841371 MQINOUOZHVTUGX-UHFFFAOYSA-N 438.259 2.433 30 10 IEEE C[C@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1447653892 UBQFBHWIQZEAHC-KXBFYZLASA-N 447.557 2.428 30 10 IEEE C[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C(=O)OC(C)(C)C 1451894320 ZWVGKTZCXQAJNU-KDOFPFPSSA-N 435.546 2.084 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2COc3cccc(Br)c3C2)cc1 1455113345 YOAXKAXSBYROAI-HNNXBMFYSA-N 449.326 2.355 30 10 IEEE O=C(NCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccn1 1458025572 LVVZCJVQQKYQDI-RKDXNWHRSA-N 431.283 2.441 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)c(C#N)cn1CC 1460988558 SRKUWOXXALZEJT-UHFFFAOYSA-N 446.467 2.337 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 1466609588 RMVOFRPUICVEMH-LJQANCHMSA-N 447.538 2.188 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1492321026 VNOSEHIMDMSWKV-SIUCFOQUSA-N 449.515 2.288 30 10 IEEE CCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498835172 OQCUQFYTNVJEQH-PWQQTYEBSA-N 436.516 2.333 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1507590628 FOJFPBHIQFDYNO-QZTJIDSGSA-N 444.580 2.473 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507594201 MROGKNMDHVVOSF-FQEVSTJZSA-N 434.588 2.266 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507595288 ZGOQZBVTLPHUDV-UHFFFAOYSA-N 431.537 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1507653504 QVZPSGRJIPCBKU-IBGZPJMESA-N 440.617 2.054 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)(C)C 1507689366 KAKVLJBTWSUMOY-UHFFFAOYSA-N 438.580 2.074 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)nc2)n1 1507717825 ZJYCRBIBYQMDOL-OAQYLSRUSA-N 449.559 2.407 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(C)(=O)=O)cc1 1507983000 QZTCETKPWXUYNG-UHFFFAOYSA-N 443.529 2.274 30 10 IEEE CCC(O)(CC)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1513522956 HUOQYBCCEIMSOU-UHFFFAOYSA-N 428.585 2.268 30 10 IEEE CCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513852593 CZMYDVFJTNWVMG-XGNMISCSSA-N 436.516 2.369 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCN(C)CCOC 1513916489 FLEUJAGRHPLUKY-UHFFFAOYSA-N 448.575 2.165 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1514269238 AASNHZYHEWTJPM-MRXNPFEDSA-N 438.536 2.218 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1516744310 JDUAUKGREQYOAS-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1519071112 GNOQHKAURARZIA-MRXNPFEDSA-N 436.520 2.428 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCc3c(CC#N)cccc3C2)C1=O 1534231778 AIOCYKIIAPZMAL-XMMPIXPASA-N 432.480 2.113 30 10 IEEE CC(C)c1ncc(OCc2ccccc2)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1536179455 JPKLJIUYMAZKLU-JTSKRJEESA-N 440.525 2.189 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)CC2=O)cn1 1536467696 RDMFGTDIFFYFNM-MAUKXSAKSA-N 435.406 2.174 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)s1 1538429244 KLWFSQMZMFQXAR-UHFFFAOYSA-N 448.614 2.454 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCC[C@H]1C 1539190310 HOGPYWZDCOUTGA-BWKNWUBXSA-N 436.604 2.263 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539204662 BBSFGMAGGHBSCP-YZGWKJHDSA-N 430.574 2.482 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(C2CC2)C1 1539300934 YPMXEJIVQASAPZ-RDPSFJRHSA-N 425.577 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCOC1 1539301069 KGYDEMCUGQZSQG-HXUWFJFHSA-N 447.308 2.461 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@H]1CC[C@]2(CCOC2)O1 1539423333 XQTZVZJZCDSDCA-WZONZLPQSA-N 444.507 2.420 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539621956 DDFSARXZVCCSPN-QEUVDIPISA-N 426.517 2.287 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1539819424 DQPSABLBYIKBOY-FQEVSTJZSA-N 425.961 2.377 30 10 IEEE CN(C(=O)[C@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1CC1 1540575054 HEOIKZVUIVWSNM-ZTHJGWAOSA-N 448.589 2.296 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540866070 BNSRSTPXWLHGJG-XJKSGUPXSA-N 439.438 2.412 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2nncn2CC)C1 1540897003 YHVVSNQOSZOIGL-INIZCTEOSA-N 427.484 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540903678 GVCIZCAXBGRGJL-LPHOPBHVSA-N 436.553 2.470 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1 1540978869 CXYTVMIIRZEZNF-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)CC1 1541993185 IKYISCPBEDYOIA-UHFFFAOYSA-N 428.562 2.309 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1544817654 OLTGXUJDZQJZQH-IBGZPJMESA-N 429.517 2.082 30 10 IEEE COc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1554874847 PTDAPRHODBQVHT-UHQTYDMFSA-N 440.479 2.274 30 10 IEEE COCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555725561 WLYUJKUMOTZBMN-UHFFFAOYSA-N 427.553 2.123 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)c1 1556344604 FXNLPCRXOBUYKY-UHFFFAOYSA-N 439.493 2.491 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1556687605 LXXYPENVADWEDC-FUPPJEDESA-N 433.508 2.350 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@H]1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1558856512 COALJBONPNUFRD-PKUDYLHDSA-N 446.548 2.446 30 10 IEEE C#CCC1(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 1565335402 XBJWKNOJWYGMDL-KRWDZBQOSA-N 441.594 2.436 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 1585004437 LGZCGIDAVQKGPT-OAQYLSRUSA-N 448.608 2.134 30 10 IEEE CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1585105066 QFEWNWPWDUHISR-GOBJLOIFSA-N 425.485 2.371 30 10 IEEE CN1CCCC[C@@H](N(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1587725773 JDUZYYZCWGBHPG-QGZVFWFLSA-N 425.489 2.492 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1588055508 WUQYKRKGXSDOAE-IBGZPJMESA-N 430.578 2.076 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588075095 XODROZUJDAGMDR-OWCLPIDISA-N 435.575 2.017 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 1588115249 UEKSSODYIVWMKG-UHFFFAOYSA-N 439.516 2.428 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1588864302 CCRLZBCRTFLWGW-OAQYLSRUSA-N 447.587 2.216 30 10 IEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1 1589126038 VNPKPCNDDLVOEL-HNNXBMFYSA-N 431.587 2.257 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)CC1 1595577494 UQGKFJMSBLUFHD-UHFFFAOYSA-N 426.565 2.246 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1595860097 GNUSQYXZTUNIKJ-UHFFFAOYSA-N 440.573 2.467 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OC 1596244993 SIFOELFSNGELES-JKSUJKDBSA-N 428.576 2.471 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)Cc3cccnc3)nnc12 1611695408 DLMDGMLRBOCSHJ-HNNXBMFYSA-N 434.525 2.465 30 10 IEEE Cc1cscc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1612375602 ABGKBMCJJPHAFU-UHFFFAOYSA-N 449.584 2.445 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@]3(N(C)C)CCC[C@@H](C)C3)CC2)c1C#N 1612469575 CHSJYPBPGAXQIQ-HXOBKFHXSA-N 439.612 2.337 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC[C@H]1C 1619534054 MCZBCQSJFPSZEZ-UXPWSPDFSA-N 427.505 2.005 30 10 IEEE CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1628706490 QCZNSYCVXKWDDX-HSZRJFAPSA-N 439.516 2.344 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)c(F)c1 1629952575 QRKVXVKKVNVDSH-IBGZPJMESA-N 447.488 2.043 30 10 IEEE CSC[C@@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1630762322 PCVFWOIDVPKSPT-OTWHNJEPSA-N 426.542 2.088 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1631312460 QPDYZMBDDCHQCY-GOSISDBHSA-N 433.530 2.110 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccc(C(=O)OC)cc3C2)s1 1632628935 KSOLLJWBKOWCCQ-UHFFFAOYSA-N 434.539 2.126 30 10 IEEE C#C[C@H](NC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1)[C@@H]1CCCO1 1634470289 QJBXZDARZITGKX-TUFLPTIASA-N 446.592 2.425 30 10 IEEE Cc1ccc(C(=O)N(C)Cc2ccc3c(c2)OC(F)(F)O3)cc1S(=O)(=O)NCC#N 1639280784 DMHMXBPOPMUBAH-UHFFFAOYSA-N 437.424 2.391 30 10 IEEE COCCN1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1=O 1645929650 OYPRMXNNKLHEGD-LPEHRKFASA-N 438.315 2.111 30 10 IEEE C=CCCn1cc(CN2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1657428897 OAVNCVIXJYGQDT-GOSISDBHSA-N 432.569 2.146 30 10 IEEE COCCOCCN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 1659239424 RQZQDFUDGNCLTD-UHFFFAOYSA-N 439.560 2.185 30 10 IEEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(Br)c1 1681369830 RZHXIZVOPWGVAF-VIFPVBQESA-N 436.241 2.050 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCOC 1690030166 PLTOUJUIQWCIRL-UHFFFAOYSA-N 435.528 2.051 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCOCC1 1690107914 HYHFZDYYSPJNIN-RTBURBONSA-N 434.581 2.214 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690180752 LGHRPKPIYGANDX-MJGOQNOKSA-N 441.557 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1cnn(C)c1 1690723286 MOPCDWKDMCUJRI-UHFFFAOYSA-N 429.550 2.009 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1693187212 VMUWSFAEVUNERG-CABCVRRESA-N 428.518 2.419 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1705500283 KHXQJBRNQQXWAG-KGNHYALCSA-N 432.528 2.438 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705565121 SNYIBZZNWYFYRP-MRXNPFEDSA-N 444.948 2.007 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705571020 UOCBZBXTMAHJQL-LJQANCHMSA-N 430.574 2.469 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CC 1705591680 VAVHEIIXZDIQNG-HXUWFJFHSA-N 439.585 2.296 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)F)CC1 1705656723 GULDGGZFVBRVCL-UHFFFAOYSA-N 435.500 2.427 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705689969 GEUYKECBGFEXIQ-UHFFFAOYSA-N 438.370 2.214 30 10 IEEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1705766635 IDAUAVBBPRBCET-UHFFFAOYSA-N 426.546 2.396 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1705946636 NCWGCPFOPOLUKQ-SFHVURJKSA-N 429.546 2.412 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cccn1 1706068271 HLADDVVDGABAMW-INIZCTEOSA-N 427.534 2.231 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1Cc1ccc(C#N)o1 1706605282 BRLVZAJOKYMBMV-QFIPXVFZSA-N 438.463 2.166 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2C[C@H](C)O[C@@H](C)C2)CCOC1 1706679992 NYRGRPLFERMXJW-ZHDKGAKHSA-N 433.553 2.251 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCCNC(=O)OC(C)(C)C 1706751958 XRFQFDFPSYAOGD-MRXNPFEDSA-N 433.557 2.444 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@]2(O)CCOC2)cc1 1712880721 ONHVLEQXMBBGMV-KKSFZXQISA-N 433.459 2.362 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1722283041 GUAHNGFYWIJCKQ-MJGOQNOKSA-N 425.533 2.399 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1722363533 AETIBORDKJDYRQ-OALUTQOASA-N 445.614 2.034 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1722372052 ONGVBCSYFARKOM-PBHICJAKSA-N 433.603 2.426 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H]1OC 1722375842 SIXYLANUZZCXSN-AZUAARDMSA-N 426.542 2.237 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC[C@H](O)C1 1722427463 VNRNLNBZXOXXJI-WFXMLNOXSA-N 426.517 2.428 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722534536 QYAPUXZDLSTTFY-IFMALSPDSA-N 440.592 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722724313 SZFDVVGUQAHDPY-IEBWSBKVSA-N 445.589 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC(C)(C)OC(C)(C)C1 1722729591 QBAMQASJMZFVDY-UHFFFAOYSA-N 433.578 2.259 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1723773392 FHGHMZMOSFZQLP-INIZCTEOSA-N 434.591 2.062 30 10 IEEE CCOC1CC(O)(Cn2c([C@H](C)CC)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1728937697 QYAWZNTYCXFDEJ-IMHYJWESSA-N 439.564 2.315 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1729453951 YMFRHVLHEHHOCQ-HTXNQAPBSA-N 443.458 2.348 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCCCN2CCCC2)cn1 1729571846 BBBBQAIXEJJNAP-FQEVSTJZSA-N 426.569 2.454 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1740567845 WCDHOXABSNLYFH-SFHVURJKSA-N 442.951 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC(F)(F)C1(OC)CCOCC1 1740657574 ZTVWYOHOKDWXPK-SFHVURJKSA-N 436.503 2.466 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCCS1(=O)=O 1740686321 HNGJLXMKHKZLGA-FQEVSTJZSA-N 430.574 2.231 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCN2CCOCC2)CC1 1740692632 YBMPJODFEIYHJY-UHFFFAOYSA-N 442.995 2.466 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCC=C)CC1 1740692824 POPXNADUYALICL-UHFFFAOYSA-N 433.354 2.384 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccs2)CC1 1740709508 IJIFHXDIFUKXBI-UHFFFAOYSA-N 445.618 2.054 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740712092 WQFOKDUGCFSXPK-MRXNPFEDSA-N 443.573 2.386 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740841513 ZPRVZOYNFAKVKF-LJQANCHMSA-N 430.578 2.090 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1740851042 OXRHHEAUJUTQBO-GOSISDBHSA-N 437.610 2.135 30 10 IEEE CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C 1748066855 CHZWVRMVAQVCHX-WMZHIEFXSA-N 429.613 2.328 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748818310 YVSLIZQXECLONU-CABCVRRESA-N 434.484 2.141 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1748819138 LHVHKWSTQGAOKC-IBGZPJMESA-N 441.582 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1748839592 YUMXBOMEOMSCGZ-HSZRJFAPSA-N 426.524 2.486 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CCC(C#N)CC2)c1 1748891282 FKTMAJPLATXNFX-UHFFFAOYSA-N 433.516 2.462 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749032618 NJDDFCXSSGWBRO-UHFFFAOYSA-N 442.980 2.420 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749043042 CVJPSWLAFHJGBN-UHFFFAOYSA-N 432.638 2.024 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1OCC[C@H]1C 1749807045 UYWGDOORRKWPDG-NSISKUIASA-N 438.532 2.179 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(CCc2ccccc2)nnc1N1CCC(F)(F)C1 1750418679 LNFDLUCYKACYPW-VXPUYCOJSA-N 442.470 2.435 30 10 IEEE CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1750798036 LEACZHOYYQJERA-SJORKVTESA-N 434.541 2.361 30 10 IEEE Cc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751663694 FCALZMZTWBGJQM-NTPMDLNUSA-N 436.516 2.394 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760111938 XFEWQJPAIQBIPC-JKSUJKDBSA-N 426.546 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760121978 FXMYLNGNCVWRPZ-NFFVOIMASA-N 434.500 2.150 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1760252192 NGDUVSQWNHCQKF-KRWDZBQOSA-N 434.535 2.387 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](F)COC)CC1 1760255054 UBLFNNBAWNXWRK-KRWDZBQOSA-N 436.329 2.447 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1760318243 DXMZDUWIWQBBNY-GHTZIAJQSA-N 440.548 2.053 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)C1 1760595784 JALTYPWSCJXWDU-MRXNPFEDSA-N 437.548 2.369 30 10 IEEE CCCN1CC[C@@H](Cn2c(COCC)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1766095535 ANDQHLKQPHEILP-LJQANCHMSA-N 438.580 2.140 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1768762266 GMAJYARMZNHWMT-XOMICKMZSA-N 434.504 2.054 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1769295155 SCIREMVNNRJBTK-YZGWKJHDSA-N 445.495 2.097 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770790905 DFWLPEGHQOTXGW-ZWKOTPCHSA-N 429.500 2.097 30 10 IEEE Cc1nn(-c2ccccc2)c(NC(=O)[C@@H](N2CCS(=O)(=O)CC2)C(C)(C)C)c1C#N 1852085286 CNRKCRIVIWBCNX-GOSISDBHSA-N 429.546 2.136 30 10 IEEE Cc1csc2nc(CO[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)cc(=O)n12 1852820199 ABCQHARTVFGLHE-FQEVSTJZSA-N 440.525 2.233 30 10 IEEE C[C@H]1C(=O)N(C(=O)CC(C)(C)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1855806625 DUFZIIUQCCTRAC-LBPRGKRZSA-N 431.436 2.285 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2N2CCOCC2)C1 1858422671 YQGPQTYWOBLFLA-GOSISDBHSA-N 440.525 2.044 30 10 IEEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862183003 ZUZYZXJYWSJQMQ-BXKMTCNYSA-N 441.528 2.312 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)c1 1862556142 PSBOMBWZDVRTFE-NRFANRHFSA-N 437.496 2.275 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(C)nn2CC 1865224338 MXBKIJAZDFGRTB-IBGZPJMESA-N 426.517 2.312 30 10 IEEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870095740 UMUFNBHZVHGCFD-UHFFFAOYSA-N 430.833 2.499 30 10 IEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)CCCSC)cc1 1870159385 HBVHCVVTMAAJPV-UHFFFAOYSA-N 443.577 2.292 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1 1891364624 AFCYLQKLWJUQLJ-LADGPHEKSA-N 433.552 2.349 30 10 IEEE C#C[C@]1(Oc2ncnc(O)c2I)CCN(C(=O)OC(C)(C)C)C1 1992438802 AUCCVTMSVOVWJN-HNNXBMFYSA-N 431.230 2.178 30 10 IEEE C#CC[C@](C)(CO)CNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2025332596 YTKDZZVBFGTDPY-BJKOFHAPSA-N 429.561 2.294 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2118170395 MJDXTQNDBKNWDW-HNNXBMFYSA-N 428.392 2.089 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNC(=O)OC(C)(C)C 2243413115 ZUDLXSQURINOQD-UHFFFAOYSA-N 446.400 2.159 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243417324 NKFNVNAALUOMIW-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CC(=O)O)Cc2ccccc2)OC1(C)C 2243752627 HFZQROSKVGDHMO-UHFFFAOYSA-N 437.348 2.323 30 10 IEEE C[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255807008 NOGIZYMAMGTWNJ-AAEUAGOBSA-N 430.232 2.108 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2256938542 VQSNGFNBMJORGH-QGZVFWFLSA-N 444.362 2.362 30 10 IEEE C[C@@H]1O[C@]2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2258961170 PGAOHFDOKURFJU-RXYZOABWSA-N 434.342 2.342 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267140336 BMGGTWCHFUJXTG-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267164937 YIHPLUJSXQULTC-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE Cc1c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267530006 SSHOYAPEFVVVBU-SHTZXODSSA-N 448.373 2.061 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881112 XOHSBTGTQVJXHV-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268707673 VBWDVQVWJFFJSJ-QAPCUYQASA-N 448.369 2.439 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2278793501 LYWNBFFEWNKPSH-GPMSIDNRSA-N 425.323 2.043 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc(OC)c1O 2331571219 FJGIANBBWGSHSP-UHFFFAOYSA-N 431.474 2.022 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCCN1C(=O)OC(C)(C)C 2337295316 XREGLELVOJVJGR-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1ccc(CCNC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 9529857 IAKYVUNJEWPGIC-RBUKOAKNSA-N 429.567 2.457 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 36627635 GSIVUHZYPWNKBR-UHFFFAOYSA-N 447.561 2.378 30 10 IEEE CC(C)Oc1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1Br 169884322 IDAHGIFMXYMFHT-UDWIEESQSA-N 429.384 2.367 30 10 IEEE COc1cccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254760544 UJLKFFCRCPIVFG-ZWKOTPCHSA-N 432.523 2.376 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 410138341 RDPHYXYZKNYODQ-SFHVURJKSA-N 440.953 2.195 30 10 IEEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc21 430075730 IFMWOEDZUOUIED-QHCPKHFHSA-N 430.468 2.153 30 10 IEEE CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 443665147 HKUWMFLHMYGURO-UHFFFAOYSA-N 447.651 2.413 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3CN3CCN(C(C)=O)CC3)cc2C1=O 444347219 XDAWSFKEHHFSOI-UHFFFAOYSA-N 446.507 2.385 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 463529474 WFEWIKXJFBPVPD-INIZCTEOSA-N 436.511 2.320 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1 466040226 UIDUCTYAQCYFKU-KRWDZBQOSA-N 432.550 2.017 30 10 IEEE C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 472915885 PZQPLFQOKKMBKG-DNVCBOLYSA-N 443.467 2.221 30 10 IEEE COCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccn(CCC#N)n1 484663287 LTVGOLDTPPVAQZ-UHFFFAOYSA-N 429.296 2.385 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc(OC)c1OC 505546188 COSGAAHMRAUPFQ-CVEARBPZSA-N 433.530 2.485 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 509009928 GDBDWWIQYQZUEZ-FGZHOGPDSA-N 444.539 2.489 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1 522852658 MXJINEDZTGXQNB-UHFFFAOYSA-N 427.530 2.452 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]4COCC[C@@H]43)nnc12 536028098 DKHQMDCYXCWGPT-WBVHZDCISA-N 439.541 2.350 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 539737081 KXPGAWGJUWNCIS-CQSZACIVSA-N 429.439 2.355 30 10 IEEE CC(C)CN1CCO[C@H](CNC(=O)CNc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543867559 YTHMWZHJRNOVKY-GOSISDBHSA-N 430.940 2.282 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 549248835 ZEZNTYXXXCFFRN-ROUUACIJSA-N 430.484 2.482 30 10 IEEE Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@H]2CCCO2)cn1 555389878 UVLDZEBDQVRTFT-OAQYLSRUSA-N 432.532 2.051 30 10 IEEE Cn1cc(N2CCC[C@H](NS(=O)(=O)c3cc(Br)c(C#N)cc3F)C2)cn1 564245459 SEXOLTIRFZVDPL-LBPRGKRZSA-N 442.314 2.141 30 10 IEEE C=CCc1cc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc(OC)c1OC 596172511 BTQVIDZWRAJEJK-UHFFFAOYSA-N 429.561 2.449 30 10 IEEE N#CCn1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc2ccccc21 609161625 LQAFRNVWAHYGSE-UHFFFAOYSA-N 444.538 2.177 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)c1 609920451 MYLWYSXMRMAVJM-UHFFFAOYSA-N 439.560 2.055 30 10 IEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 611604220 NNKMGOGHOGUNDP-SFHVURJKSA-N 437.518 2.433 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1-c1cccc2cnccc12 731287292 DBZMNJHTCGRWIZ-UHFFFAOYSA-N 432.465 2.255 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CCN1C1CC1 732652158 PGOUIOOEEKIBSH-QZTJIDSGSA-N 431.334 2.252 30 10 IEEE COc1ccc(OC)c([C@H](C)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742490893 ZYXSCOOAAWDDLM-KBPBESRZSA-N 431.514 2.398 30 10 IEEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)cc1C#N 747443049 BGAKQQJUGAJALG-UHFFFAOYSA-N 444.557 2.035 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CCCCC1 760400049 FOXBRWDLVBEUMY-CYBMUJFWSA-N 425.457 2.238 30 10 IEEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1)c1cccs1 766425362 ZXENOKLTZNAWTD-CFCYMGNFSA-N 446.602 2.167 30 10 IEEE CCn1c(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc2cc(F)ccc21 767683044 ZDXKSAZFYBDXBB-ZDUSSCGKSA-N 430.461 2.477 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 781648432 GVTAPUIRMBHQRR-UHFFFAOYSA-N 433.537 2.163 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc(C2CCC2)n1C 783093090 RWHWXLCEAYEFJL-INIZCTEOSA-N 445.545 2.279 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)cnc2Cl)n1 788693399 AZKDPEUUPRHHMY-UHFFFAOYSA-N 447.742 2.165 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(CCSC)c2=O)cn1 794643790 AYFJLWYBXHQLJA-UHFFFAOYSA-N 432.615 2.388 30 10 IEEE C[C@@H]1CC[C@@H]1N1C(=O)[C@H](CC(=O)NCCCN(C)C)S/C1=N\CCc1ccccn1 795185653 YHUROPXWVRNIPZ-QFLQUQSHSA-N 431.606 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1cccc(Cl)c1C#N)CCO2 814397907 OJJIARFXPUIBKH-UHFFFAOYSA-N 427.910 2.222 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 916177898 DDJLESUXXUEVOK-UHFFFAOYSA-N 426.498 2.448 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(Cl)cc3)n[nH]2)cn1 1084309985 DOCHNJUDUHUUHI-UHFFFAOYSA-N 434.913 2.478 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)cc1 1136331858 OCEMMNWEYGTIOR-SVTVQYSDSA-N 437.566 2.301 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)c1 1136643817 XZMIRMYFCIZJJM-GOSISDBHSA-N 429.517 2.417 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)s1 1136678685 GPBQXRYZCWLOSV-UHFFFAOYSA-N 445.010 2.036 30 10 IEEE CCOC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1CCOCC1 1137919215 DSDVGXLXGJGSCH-SRXHXZOOSA-N 449.548 2.248 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 1138222500 AGMPDRIOUDLAKB-UHFFFAOYSA-N 439.942 2.471 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3c(Br)nc4n3CCOC4)C2)nc1 1156248033 WHFSUUSQEQHMFW-ZDUSSCGKSA-N 431.294 2.159 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCc3nc4c(s3)COCC4)CC2=O)cc1Cl 1157374787 LHJCASATDPUFHZ-CYBMUJFWSA-N 430.917 2.453 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)cc1 1158652555 KRKHIXOVYKQBER-LFDOHDQPSA-N 438.571 2.098 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C3CC3)C3(CO)CCOCC3)ccc2c1=O 1163798170 JKTJHLNOFPDFRW-GOSISDBHSA-N 429.542 2.169 30 10 IEEE CC1(C)[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1N1CCOCC1 1164312233 BDIILQIIAQCDMV-KFKAGJAMSA-N 430.936 2.180 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C 1190179338 NHKINFHYWYTTKR-HHHXNRCGSA-N 427.548 2.399 30 10 IEEE COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cc1 1248376274 VNIYKOLZTWBPON-NFBKMPQASA-N 447.539 2.493 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1286386552 CQFUGPBNYXXCLM-KRWDZBQOSA-N 445.495 2.237 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286393679 RMWSCOJTUSHUAM-YSIASYRMSA-N 434.606 2.453 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2nccnc2C)CC1 1286472679 AYOMURPRKDXXKC-UHFFFAOYSA-N 447.543 2.059 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1286482701 VZERPNTWMLRQAN-UHFFFAOYSA-N 449.559 2.371 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286607075 AYURFTCSMOBKEF-IBGZPJMESA-N 443.504 2.272 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286714142 LSGYXLPZOBMPGB-AZUAARDMSA-N 436.516 2.036 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1286715230 XJUAYONTYIMPTN-HNNXBMFYSA-N 447.540 2.078 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OC)C1 1286798124 CGLZEBYGFQAFFZ-ZWKOTPCHSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286821451 LHJTWGGGIXWCAZ-SFHVURJKSA-N 435.598 2.127 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1286950439 FWJXKRUEFJFKFI-UHFFFAOYSA-N 445.531 2.214 30 10 IEEE Cc1nccnc1CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1290529110 DCGYBXBERPUOLK-MRXNPFEDSA-N 432.536 2.119 30 10 IEEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CCCOC1 1290669365 XZBRKLMQMOOICP-KRWDZBQOSA-N 432.329 2.147 30 10 IEEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1)c1ccccc1 1290923147 IQCIKDLAGFMHJY-GOSISDBHSA-N 446.525 2.486 30 10 IEEE COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1300224216 BSDZVCFGOYTTIU-SFHVURJKSA-N 425.468 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1300531625 DMRKDNARTUARTG-WJOKGBTCSA-N 436.541 2.214 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)N(C)C 1300597928 XAYVXSFDWNNMJQ-UHFFFAOYSA-N 430.940 2.189 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CC2)CC1 1300715583 AIVMLZPJUHPUPC-UHFFFAOYSA-N 445.470 2.037 30 10 IEEE COC[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300960934 AFDCAGYRXHZGMS-QGZVFWFLSA-N 434.548 2.468 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1300999711 FXCPJWMIOIKVKG-INIZCTEOSA-N 428.459 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(C)o1 1301567837 MBZHALJCSYZNET-MRXNPFEDSA-N 435.550 2.260 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1306539234 AUPAHGXXHXXIFH-DEOSSOPVSA-N 446.559 2.408 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1314443754 UHIUDMQXNCZHGZ-CTNGQTDRSA-N 441.532 2.397 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1314681678 FCVBNRWTCJBANC-HNNXBMFYSA-N 443.451 2.367 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1316242415 UXOKLNFUQRHTSH-FZYZMVIOSA-N 443.573 2.360 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2[C@H]2CC[C@@H](OC)C2)cn1 1321036378 XIESNSAUFVREPZ-BFHYXJOUSA-N 447.483 2.471 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1344052001 UTJINOKLPQLOAV-ZWKOTPCHSA-N 448.976 2.328 30 10 IEEE O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CN1 1352326915 IGQNOHIGNJUGFA-HTQZYQBOSA-N 445.310 2.345 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 1354426265 CNQHVBONNUCCGL-UHFFFAOYSA-N 428.537 2.312 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@](C)(O)C2CC2)c1 1358903302 RIYYEBMMFRFCKH-RUZDIDTESA-N 444.539 2.481 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1358960017 UVLCXGITHLWAGG-UFYCRDLUSA-N 428.558 2.387 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccn(C)n2)CC1 1359031643 KCWSNTBGKLISDB-UHFFFAOYSA-N 446.378 2.306 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1359066258 UIPHXHAYLXNIBJ-JOCHJYFZSA-N 438.557 2.431 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359068734 MTQGZGXJUUIFMT-FXAWDEMLSA-N 449.481 2.380 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359072294 XBNSJNLLROZMPW-PXDATVDWSA-N 449.603 2.199 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCOCC2)CC1 1359158160 HSRIHOFCXMZCKE-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=CCCOCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1359229382 HUAHPCMMOSOBNJ-GOSISDBHSA-N 448.486 2.417 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1359275605 YQCBCMAWQDDSBE-LJQANCHMSA-N 430.574 2.330 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1359305125 UFBRKZWCXOWINH-UHFFFAOYSA-N 427.553 2.034 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCOCC1 1359328373 BGVHDURQYWZFGH-UHFFFAOYSA-N 447.380 2.207 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(NC(=O)N(C)C)cc1 1360161242 AKCROPZLGGQQBM-OAHLLOKOSA-N 426.525 2.296 30 10 IEEE CC(C)(C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)c1ccc(C#N)cc1 1360682568 XGOFWDPTFKRNBD-UHFFFAOYSA-N 439.537 2.224 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)c1 1444690576 VULFNBQKXFBGCL-IBGZPJMESA-N 427.526 2.186 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(N)c1 1452695308 WECKJOCQZPYLHK-UHFFFAOYSA-N 426.542 2.328 30 10 IEEE COC(=O)[C@H]1Cc2c(Br)cccc2CN1C[C@@H](O)CC1(C#N)CCOCC1 1460167412 GHEHADPWKFZOLE-MAUKXSAKSA-N 437.334 2.420 30 10 IEEE CN1CCN(c2ccc(Br)cc2NC(=O)Cc2ccc(C#N)nc2)CC1=O 1461502636 NGVWQFCVQNLGAD-UHFFFAOYSA-N 428.290 2.175 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ncccn2)C1 1471911299 KSKFALISQGRDHI-QGZVFWFLSA-N 441.557 2.482 30 10 IEEE CC(C)(C)[C@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1473828307 ZDTYWWHXSFVOMY-OXJNMPFZSA-N 441.576 2.203 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)CCO2)cc1 1478389393 SIDWNWDGGHOXHP-NRFANRHFSA-N 440.525 2.381 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1501779091 TUVDNTMNDSNMKN-UHFFFAOYSA-N 427.553 2.079 30 10 IEEE CCNC(=O)C1(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1502410866 VTACSVVNXPDSFV-QHCPKHFHSA-N 444.580 2.365 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C#N)o2)CC1 1503825894 KZJKOIDQFVHOKD-UHFFFAOYSA-N 449.515 2.448 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507632268 KIAKEOAJZWXFLO-IRXDYDNUSA-N 449.602 2.268 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1507650730 RPWCNTDHGGLYNO-UNMCSNQZSA-N 447.539 2.411 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)C1CC1 1507701836 BTJJACQQGUYMHU-HSZRJFAPSA-N 425.508 2.340 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC1(O)CCOCC1 1507713584 PMLLMOPFFWBMPS-UHFFFAOYSA-N 437.544 2.368 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507835841 NNRPPNNJVHYJHH-MRXNPFEDSA-N 436.557 2.112 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1507882162 WTMMEORQABNRHY-OFNKIYASSA-N 433.597 2.443 30 10 IEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1507886950 JTPICTSRUASLHE-UHFFFAOYSA-N 426.613 2.322 30 10 IEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1507935026 LUYPWKSVRRWTSS-FQEVSTJZSA-N 441.532 2.442 30 10 IEEE CCC[C@](C)(O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1514272667 GGOOTGPJYZQUNC-VJBMBRPKSA-N 446.596 2.046 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1539022213 NXBPQAMVIFFJOC-OAHLLOKOSA-N 444.586 2.070 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cscn2)CC1 1539090134 XJEMBYZOXCWIJJ-UHFFFAOYSA-N 429.594 2.389 30 10 IEEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539115673 GBUJJHBYUUXWSQ-INIZCTEOSA-N 426.546 2.310 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(CCOC)c1 1539154172 BYHPCDDMPGNXFD-UHFFFAOYSA-N 432.326 2.007 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539237506 FTUZCSCXSNHBJZ-CJFMBICVSA-N 447.539 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCCCC1=O 1539251638 LIZJSZNXGYDRJR-UHFFFAOYSA-N 435.528 2.438 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NCCC)CC1 1539453546 LPQWBDMYEXIKSO-UHFFFAOYSA-N 428.968 2.194 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539570438 VRRGDEYAMRNCND-IIBYNOLFSA-N 431.537 2.415 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539968151 XDGVQCLQFXCZED-MSOLQXFVSA-N 437.610 2.422 30 10 IEEE C=CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1540116602 YCAMVQWGUBGPKZ-MRXNPFEDSA-N 432.546 2.455 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(N4C(=O)CCC4=O)cc3)C2=O)cc1 1540221118 SFBHXDNAIDYCKV-GOSISDBHSA-N 445.435 2.055 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1540494153 DKGINRGKNZSDON-UHFFFAOYSA-N 425.510 2.291 30 10 IEEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)n1 1542646954 GYKZIBDGZNTVGI-IBGZPJMESA-N 445.527 2.377 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)C(C)(C)C)C2)C1 1543680278 XENKMJONJQVWJF-RDYUPDBUSA-N 427.567 2.103 30 10 IEEE COCCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1555516482 AESKFNFAQMBWBG-UHFFFAOYSA-N 449.559 2.238 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCOC3)n1CCCCCCO)C2 1555987267 FBRFSANCQUCJKQ-INIZCTEOSA-N 426.521 2.260 30 10 IEEE CN1C(=O)C[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 1559033571 NJYVSVOUTWRJSE-AZUAARDMSA-N 439.443 2.249 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1570831167 KJRCTFIRAXYUCN-FQEVSTJZSA-N 427.526 2.329 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1587834723 DRHVHJMKUHFZKH-JKSUJKDBSA-N 432.546 2.388 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1587898070 FSZFHOMJTBBSMJ-UYAOXDASSA-N 428.581 2.112 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588045816 RDEHYGMMUWCPNC-PGRDOPGGSA-N 445.589 2.154 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588069694 SMDZGMHKGKTSME-LJQANCHMSA-N 439.541 2.156 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1588223973 LPMVKIOGBFURAE-FQEVSTJZSA-N 445.502 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCn2cncn2)CC1 1588791000 JXFWIJYJHQHUDG-UHFFFAOYSA-N 448.575 2.417 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1589053261 LBNUIWSSMSJDEN-UHFFFAOYSA-N 444.649 2.339 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1589053551 QPLJVGRSSJNDGF-INIZCTEOSA-N 438.557 2.174 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(C)(=O)=O 1589172023 XSOQVESFPCPVJC-OAQYLSRUSA-N 448.545 2.008 30 10 IEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 1589347101 FLLGZQBWLVDEFJ-UHFFFAOYSA-N 440.733 2.364 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1589687776 OAPTUBXUOSKIOU-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594498118 QNXRCSOEZDODJD-IRXDYDNUSA-N 430.553 2.247 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1594626711 OEYJEBCNOKJKPK-LJQANCHMSA-N 449.577 2.309 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1595602698 OTCGSTYRHRZYHR-LJQANCHMSA-N 444.580 2.097 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2COCCO2)C1 1595745909 YQVQISVZRNLFFA-LEWJYISDSA-N 428.533 2.269 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(N)c1 1611005688 AFPUEEZPSYPRGM-UHFFFAOYSA-N 440.525 2.425 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)C1=O 1618459924 WOJCRLXVNWIVGQ-LJQANCHMSA-N 448.449 2.189 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)CC2CC2)C1 1620347699 AKATUGNSNFQONZ-OAQYLSRUSA-N 431.537 2.330 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCn2cc(Br)cn2)CCO1 1620355151 HAASMFIWICELIW-MRXNPFEDSA-N 428.294 2.333 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1620623978 LSTVRHZESRVSPK-IERDGZPVSA-N 442.541 2.209 30 10 IEEE O=C1NC(=O)N2CCN(C(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C[C@@H]12 1620656247 HZLMMGMKWDRIBV-JTQLQIEISA-N 427.276 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 1624756421 VJFNZUJGONXFLB-UHFFFAOYSA-N 446.523 2.324 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC3(CC(=O)OC(C)(C)C)CCOCC3)cc2C1=O 1625943097 YLUJIBXGDCFQML-UHFFFAOYSA-N 428.485 2.479 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 1626677070 LLOCTIDZLHPOFO-HDICACEKSA-N 427.501 2.327 30 10 IEEE C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1C(=O)OC(C)(C)C 1626995483 PQAQNNVPRBBAFY-MAUKXSAKSA-N 435.546 2.461 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1627392310 AGVAQTFUXUQCTB-GWQNQTGSSA-N 435.528 2.146 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 1629478665 MLLYTLBPXALORB-UHFFFAOYSA-N 432.521 2.398 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(C)(C)[C@@]1(O)CCOC1 1630826550 LRBMTBGVZIVKHA-LJQANCHMSA-N 441.322 2.392 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCCN2CCC[C@@H]2CO)C1 1631275070 XZMFODNPWSRPEP-GOSISDBHSA-N 435.366 2.110 30 10 IEEE COCCC[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)cc1 1635140074 XWIKKDBBEQEVGD-ABSDTBQOSA-N 439.965 2.430 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O 1636549367 AFWKVGHNRHWMIK-UHFFFAOYSA-N 443.301 2.437 30 10 IEEE N#C[C@@H](CO)NC(=O)c1sccc1NC(=O)c1ccccc1I 1636605566 WQFJKWHTGMMUGD-VIFPVBQESA-N 441.250 2.219 30 10 IEEE CCOC(=O)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ccc(C#N)cc1OC 1637967095 XVGJNLLKQGSPFY-QGZVFWFLSA-N 431.489 2.485 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)c1 1638955386 JCCXYZLZEYFASR-INIZCTEOSA-N 449.330 2.128 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2cc(Cl)ccc2OC)s1 1640644256 GGSNXKATXGKCRL-OAHLLOKOSA-N 444.962 2.267 30 10 IEEE O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854290 DHUFTJXUFWAYNK-SFHVURJKSA-N 425.416 2.083 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOCCNC(=O)OC(C)(C)C 1642423156 YSGMGSOBTHMQDE-INIZCTEOSA-N 427.542 2.293 30 10 IEEE CC1(C)C[C@@H](O)c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2O1 1645944567 YSSQKHUGEYMEDB-MRXNPFEDSA-N 429.498 2.348 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1646095952 PHVBLSXRXNNCRU-SQNIBIBYSA-N 429.521 2.286 30 10 IEEE COC(=O)[C@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1647854834 SGRTZLSZVXVAOG-IXDOHACOSA-N 428.533 2.239 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)cc1 1653614040 FCFPAZNFOFSBPP-UHFFFAOYSA-N 434.540 2.053 30 10 IEEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C(C)C 1667572360 ZEBIBTJMYSYDSG-UHFFFAOYSA-N 434.562 2.183 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 1667956115 JASJFALRCAARAH-LJQANCHMSA-N 449.554 2.284 30 10 IEEE Cn1cc(CNC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)c(-c2ccc(C#N)cc2)n1 1671561737 JZTXUPSLPMUIFZ-FQEVSTJZSA-N 435.509 2.428 30 10 IEEE CC#CC[C@@H](CO)NC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1674081684 CQTDOWNNHOPQIT-FQEVSTJZSA-N 425.508 2.121 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1686497867 GICAVCQTRKWISQ-KURKYZTESA-N 438.569 2.219 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)OC)c1 1689873412 HTQHZIUZCIRUHE-MDKPJZGXSA-N 441.532 2.093 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1689931988 OAURWVRBOUCGMA-KURKYZTESA-N 433.553 2.207 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1cccs1 1689959617 HFYOPPNTXSBAOP-HXUWFJFHSA-N 444.586 2.277 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689992359 JYTZOZULXZJYBZ-LJQANCHMSA-N 432.594 2.089 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-n1nc(C)cc1C 1689998745 VFQRKUBHLBSERH-UHFFFAOYSA-N 429.528 2.340 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)c1ccccc1 1690103223 BBBXGTWJLQMRSK-QUCCMNQESA-N 430.574 2.460 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OCC)CCCC2)CC1 1690113571 NJRJJLHOUVNCBJ-QHCPKHFHSA-N 431.581 2.035 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1690240585 HWKRSTKZNUXCGF-NVXWUHKLSA-N 437.953 2.210 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690319247 HEAXKAFNQPRQCU-JOCHJYFZSA-N 429.496 2.448 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690491793 JBNMGIWVXBKUGL-SFHVURJKSA-N 444.605 2.394 30 10 IEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCS(=O)(=O)CC1 1690511215 TUGHVLXYPCOFPF-UHFFFAOYSA-N 429.546 2.109 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N1CCOCC1 1694125577 DRBHMOWWDJWXJE-RTBURBONSA-N 438.580 2.106 30 10 IEEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1696431007 XOPQMNOIJWUVAI-UHFFFAOYSA-N 438.532 2.470 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1696490109 TWMSIGVOMIILFU-IRXDYDNUSA-N 446.577 2.102 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC1CC1 1705478180 XPBKSHPFXBRRMT-IAGOWNOFSA-N 445.589 2.492 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(=O)(=O)CC 1705489423 PCNOVSBQRBXFPN-MRXNPFEDSA-N 428.562 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1noc(CC)n1 1705575657 RWQXESCQAMEPQO-UHFFFAOYSA-N 428.294 2.297 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC(C)C)NC(=O)OCC 1705587934 OYXQDPIVGUMNSR-LJQANCHMSA-N 442.564 2.138 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1705656345 ZDGXKLCWKZUQBA-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705659393 UWSUEFPSKATVBA-HOTGVXAUSA-N 430.578 2.291 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705754856 HBRHOGAQXIOVTR-BBWFWOEESA-N 444.001 2.380 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC)C1 1705924148 BLLFAWJHQZCPKT-LJQANCHMSA-N 427.553 2.270 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCN2CCCC2)CCOC1 1706678117 BZBWQUMLSFLUAZ-NZQKXSOJSA-N 446.596 2.314 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1712641538 LLHVATOBPAQBQR-BPXKWBHBSA-N 442.520 2.042 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)C1 1712875299 BPPMLTQXMXPWKQ-VFNWGFHPSA-N 430.459 2.183 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1722309126 JLRBNABLNMNHEO-WIYYLYMNSA-N 447.543 2.286 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722366091 PDQJFZCZBQSLNE-QZTJIDSGSA-N 434.537 2.060 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1722366742 SISCUHMVKDSUPI-MRXNPFEDSA-N 442.463 2.203 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1722368774 VZNLWXCPERRGLZ-FQEVSTJZSA-N 430.574 2.298 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(=O)NC 1722395584 KCGXEJNBBFGUSR-UHFFFAOYSA-N 429.528 2.366 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1724236009 SEXJXDXYMSLGGK-DYESRHJHSA-N 446.552 2.045 30 10 IEEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)o1 1727454432 CPFLYMAVNUFQFT-HNNXBMFYSA-N 449.515 2.303 30 10 IEEE CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1728436224 MFUDTRAYHKLHOQ-XDOYNYLZSA-N 444.499 2.288 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCOC1 1729566573 GCFDGPQZAYADRU-UKRRQHHQSA-N 435.326 2.201 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1729588623 ATMPMKOSFHDRGA-IAGOWNOFSA-N 441.536 2.412 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1740587759 VIBSWCBMYNDJDX-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1740897500 JMELZWYKSXJDPM-UHFFFAOYSA-N 435.532 2.356 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1740921229 OAZQPFJXQSBKDV-KRWDZBQOSA-N 428.512 2.333 30 10 IEEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C 1740965770 SJPCXGHPAVEXBR-HNNXBMFYSA-N 430.513 2.129 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCn2ccnc2C)CC1 1741044315 BWOUJALFNMOILB-UHFFFAOYSA-N 432.532 2.471 30 10 IEEE CCc1cnc(CCn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 1744409130 AJFCQWIMCHHIJR-HNNXBMFYSA-N 437.577 2.479 30 10 IEEE CO[C@]1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)CCOC1 1748497558 QGVONYMIJRGZMS-KUHUBIRLSA-N 448.321 2.242 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748818647 CTVXBXHEAYUVSG-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1748835406 AYRJHFFNZQCUAV-NRFANRHFSA-N 434.588 2.300 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1749080518 PWVNJCHUEWGYAK-OXQOHEQNSA-N 449.602 2.470 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1749457684 OGIARKHMZSADGL-YLJYHZDGSA-N 430.505 2.235 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1749486816 IAQUPSLGQTZJDT-ZHRRBRCNSA-N 432.569 2.493 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1749564487 AGQCVCOJNJDSJJ-IBGZPJMESA-N 447.547 2.358 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(CCCN3CCOCC3)CC2)nnc1C(C)(C)C 1749682778 ZUBILNJSADLXDB-UHFFFAOYSA-N 432.613 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Cl)c1 1749731263 AETLNRLFFCIERM-MRXNPFEDSA-N 437.953 2.120 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CC[C@@H]1COCCO1 1749806057 GJAADCJFVKVPOM-LEWJYISDSA-N 441.532 2.112 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2COCCO2)CCO1 1750387650 XZKSCABDEWWTPT-SJORKVTESA-N 448.321 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1760098472 SRJXDEOMUOZKHH-YESZJQIVSA-N 449.552 2.439 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1760145242 KWLBGDDEXVQLPX-QGZVFWFLSA-N 429.496 2.266 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760156137 WIGYMNUWUDITAW-LJQANCHMSA-N 440.548 2.407 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(=O)(=O)CC 1760165305 NXTUXZPQGVYQEL-UHFFFAOYSA-N 426.546 2.201 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1760175570 MNQKCELNPOKEDM-OAHLLOKOSA-N 447.565 2.059 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OCCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760180580 HQUPVUDMJPDZLN-IBGZPJMESA-N 446.573 2.449 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1760189382 UDGQSMPIOJTTFH-MJGOQNOKSA-N 432.546 2.405 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1cccn(CC)c1=O 1760210917 WPHORQRCAPMEQY-UHFFFAOYSA-N 431.496 2.168 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760327554 IPGNQVSTNUSWJF-VWPQPMDRSA-N 433.597 2.344 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)CC1 1760389514 MGJHIZMZZSKJBG-KRWDZBQOSA-N 437.591 2.072 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760523595 CKHPFORBGWOBEF-UHFFFAOYSA-N 438.580 2.396 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)C1 1760542312 LKYZWDAVZCHGAS-GDBMZVCRSA-N 432.912 2.138 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@H]1C 1760696626 RXRANFJQBFRDFA-QRVBRYPASA-N 436.626 2.431 30 10 IEEE Cc1c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)cnn1C 1761629239 IENJFCQZYWPTJR-DOTOQJQBSA-N 425.468 2.376 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1763746102 QEMWQFZOJCBFNI-AEFFLSMTSA-N 436.564 2.300 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1764145774 SEDCQIAUXISGDI-JOCHJYFZSA-N 441.536 2.236 30 10 IEEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1767153222 LPZFTZXLRLJSEP-QHCPKHFHSA-N 439.612 2.226 30 10 IEEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1767198851 AJTOUHKDAUYYAV-UHFFFAOYSA-N 429.546 2.400 30 10 IEEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1768014767 VBZYSBLDDVSHDK-KRWDZBQOSA-N 428.500 2.445 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768026929 JZGYYQKGMJKXLI-BSBNDGSWSA-N 440.504 2.236 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)(C)C 1769680114 FBGVKOQLLYRUJI-GOSISDBHSA-N 447.561 2.025 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C 1769843384 IRZOYKBPHAINQG-GOSISDBHSA-N 426.521 2.235 30 10 IEEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1770408272 ATNOUOOJYKANRD-OAHLLOKOSA-N 434.591 2.040 30 10 IEEE COC[C@@H](C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1770753531 RUTLMLCQPDPODY-MWDXBVQZSA-N 434.541 2.060 30 10 IEEE CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CC(Oc4cccnc4C#N)C3)n2)cc1 1849825848 BXGQRJCFOJNNCG-INIZCTEOSA-N 445.479 2.426 30 10 IEEE CCc1ccc(-n2nnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2COC)cc1 1850575788 HYUMLIQESZSRKO-UHFFFAOYSA-N 431.500 2.205 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 1850910013 AAPHWIHDRQPGDD-LJQANCHMSA-N 449.902 2.432 30 10 IEEE C=C[C@H](CC(=O)OC(C)(C)C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1852001400 IMLPYWWETICBAD-MRXNPFEDSA-N 425.503 2.151 30 10 IEEE N#CCOc1ccccc1C(=O)OC[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852727917 ONVBFURXMURYJK-IBGZPJMESA-N 428.510 2.087 30 10 IEEE N#Cc1ccc(CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c2cnccn2)cc1 1853028027 VSQACMAKSQVPAD-RTWAWAEBSA-N 431.496 2.323 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCOC(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1853122852 LULRCEAHJKOIOU-UHFFFAOYSA-N 431.489 2.362 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1nc(Cl)ccc1C#N 1877758978 GJKJEKBJXJKGTE-SFHVURJKSA-N 436.852 2.373 30 10 IEEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC(COc2ncccc2C#N)CC1 1891415273 AIAWFZAZYFVYGY-UHFFFAOYSA-N 445.479 2.439 30 10 IEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)CC1(C#N)CCC1 1982313985 NEAOVZZEGPWWQJ-UHFFFAOYSA-N 446.570 2.018 30 10 IEEE C=C(Br)CS(=O)(=O)NCCCN(C)CCCNC(=O)OC(C)(C)C 2006233431 IORVYWJNXOXTRI-UHFFFAOYSA-N 428.393 2.051 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010541639 WTGUETALBDZUNY-VAMGGRTRSA-N 428.533 2.105 30 10 IEEE O=C(CCOCCCOc1c2occc2cc2ccc(=O)oc12)ON1C(=O)CCC1=O 2060423554 BPHSJHGAVPOTJX-UHFFFAOYSA-N 429.381 2.322 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060636306 WOBXUFIVVGSWAC-CUSZFKRNSA-N 435.374 2.136 30 10 IEEE C#CCN(C)C1CN(C(=O)c2ccc(I)c(Br)c2)C1 2134636316 HPMJHVOZUZKVNC-UHFFFAOYSA-N 433.087 2.443 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2232314735 XIAOWXWGCILFJL-VVONHTQRSA-N 447.341 2.392 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435206 MPWZUVIWTOMSOP-GASCZTMLSA-N 430.376 2.397 30 10 IEEE Cc1nc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2243678361 IOEHDKQGZRZZMC-HNNXBMFYSA-N 440.309 2.338 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1 2247551217 CUXBBSSWVKACRW-GWMLXNDSSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247776805 DTKBAVQZNUSEQO-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2249539129 GFPLHGKNGKNJOG-YCRPNKLZSA-N 442.557 2.356 30 10 IEEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255650420 PDGYNHLBRHRTQA-UHFFFAOYSA-N 444.772 2.331 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255821565 DNMUKWDLVCHMNP-CQSZACIVSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256619497 ZJMYEQCTFSBXFW-YOEHRIQHSA-N 432.326 2.295 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)co2)OC1(C)C 2267011186 AOABEBLCVOCPDM-VQTJNVASSA-N 438.333 2.304 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2267097512 PJQVYTMGDULMKR-UHFFFAOYSA-N 446.307 2.302 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267140266 PGIIRLJBHMMXMW-OFQRWUPVSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267504923 ZZGXXLXGMNDUKF-DFFLPILJSA-N 448.325 2.133 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 2267526748 XHHNQKSSVJHXKS-AWEZNQCLSA-N 448.373 2.187 30 10 IEEE Cn1nc(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267537453 QANKZILXAAUNSR-SHTZXODSSA-N 448.373 2.143 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)nc2)OC1(C)C 2267588605 ODHMTWUJCDXDDD-CQSZACIVSA-N 441.259 2.054 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268634031 VXOQCROAPTZHPS-YOEHRIQHSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)C1 2296284087 NDILYUDBWKUAPS-NJAFHUGGSA-N 439.350 2.372 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CO[C@H]1C2 2312794681 NWWUCAYMGAUCFF-MTXNFPGFSA-N 440.544 2.295 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315528631 KRDTWHXEWQKHTH-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCCN2C(=O)OC(C)(C)C)n1C 2315635019 FJSYAXVDFODEON-UHFFFAOYSA-N 434.346 2.416 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315696729 IHJQFNBIKDEQJQ-ZYHUDNBSSA-N 447.288 2.114 30 10 IEEE CO[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H]1NC(=O)OC(C)(C)C 2322309526 TXVZOCWXCBRUNW-CVEARBPZSA-N 437.321 2.248 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(OC)c2)cc1 2328368962 JMUIYMCQSYDYPZ-UHFFFAOYSA-N 443.485 2.040 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1C(=O)O 2329175819 GMQFCYXQQGTNQT-UHFFFAOYSA-N 425.470 2.057 30 10 IEEE C[C@@H](C#CC(=O)N[C@H](Cc1ccccc1Br)C(=O)O)NC(=O)OC(C)(C)C 2366840832 BTEMBSGTPCXABA-SWLSCSKDSA-N 439.306 2.478 30 10 IEEE CC(C)[C@H]1C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OCc1ccccc1 2370889519 VMTGJBKJFNRKPG-GCJKJVERSA-N 435.542 2.180 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3cccs3)n2N)c1 21318048 JGSZNFZKYGSRCG-DJKKODMXSA-N 433.519 2.247 30 10 IEEE COc1cc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)ccc1OC(=O)c1ccccc1 33430512 SOZDYVYYARDEMD-NBZOHKLQSA-N 427.438 2.311 30 10 IEEE C=CCNC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 36212706 YKPOINVQKFJBSB-JOCHJYFZSA-N 449.507 2.368 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)s1 58997507 VRZVGFQDOPUIEQ-OMCISZLKSA-N 449.478 2.009 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c1C 59829927 WKIRHJZBDFZWAP-LSHDLFTRSA-N 443.512 2.307 30 10 IEEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 64023541 UNGXJWQBPZQGFO-UHFFFAOYSA-N 441.557 2.134 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CCC)CCC(=O)O)C2=O)cc1 96573484 UQPJYFFOUJDCCT-JOCHJYFZSA-N 431.489 2.122 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1C 105279080 YPNXSHJCILXGEF-UHFFFAOYSA-N 441.557 2.255 30 10 IEEE COCCN(C(=O)c1ccc(C#N)cc1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 439857594 LQIVZKDVBIGALO-UHFFFAOYSA-N 433.468 2.053 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 476175602 VOTRLFXHEWUQSU-IBGZPJMESA-N 443.550 2.435 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)NCCNC(=O)c3ccccc3)c(C#N)c2N)cc1 477861631 NUAXGJRISXKWOQ-UHFFFAOYSA-N 445.527 2.296 30 10 IEEE CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478030223 XMGNGNODDVOVMB-OALUTQOASA-N 434.562 2.168 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508800407 FRNSLENLVXNPAX-HSZRJFAPSA-N 436.516 2.152 30 10 IEEE C=CCCOCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 535307508 NFGCRCWQLQXEFO-INIZCTEOSA-N 431.352 2.311 30 10 IEEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C#N 567622164 SZGAOKRCFXPWHR-HOTGVXAUSA-N 443.525 2.295 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CCOC)[C@H]1CCOC1 568565892 CVLULJVEVOXRGT-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)CC1 569200553 DSXQNGWKWWFJEK-UHFFFAOYSA-N 445.951 2.144 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 580380023 VEHJUQMPDWZNDN-SUMWQHHRSA-N 441.504 2.273 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCNCC2(c3ccc4c(c3)OCO4)CCOCC2)c1 580584857 XSPWZZXZQMOIDI-UHFFFAOYSA-N 428.510 2.399 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)Cc1cnn(C)c1C 583705506 YDYZAOKJVIKKRH-UHFFFAOYSA-N 443.577 2.272 30 10 IEEE COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 586332935 IXUKFYODUPVUIU-SSEXGKCCSA-N 447.538 2.452 30 10 IEEE C[C@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)N1C(=O)c2ccccc2C1=O 604533907 IANQHORNCUAXCU-OAHLLOKOSA-N 430.464 2.420 30 10 IEEE Cc1ccc(C(=O)N2CCC(NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)cc1 609001384 BFMSWYQBSVLWDX-UHFFFAOYSA-N 432.528 2.398 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 609161103 IGDQSMXPNYLGOZ-SFHVURJKSA-N 441.944 2.471 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 614902477 VHNAGEXEUHUSGU-OAHLLOKOSA-N 448.491 2.418 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 615683836 WUCVHHARPYIYDJ-UHFFFAOYSA-N 428.518 2.097 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)CC1 684115726 MADUUTOFJLMBSQ-UHFFFAOYSA-N 429.542 2.396 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 727120580 NECLEEGIFZZEIE-FHWLQOOXSA-N 434.581 2.001 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3cc(C)ccc3F)c2=O)cc1[N+](=O)[O-] 730251040 DOHWPCFSLZBHRQ-UHFFFAOYSA-N 436.424 2.290 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)c(C)c1 730888306 GNBGXHKQEWMTKI-OAHLLOKOSA-N 445.497 2.143 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)c1 733786240 BLUQGHJUEWXCJZ-OAHLLOKOSA-N 435.477 2.022 30 10 IEEE C=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C(=O)OCC 734027496 XEUKOLRECREFPC-UHFFFAOYSA-N 425.503 2.149 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(C#N)cc1 740216966 ZZYPEFASDIITDZ-ICSRJNTNSA-N 442.493 2.416 30 10 IEEE CC(=O)NCc1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 743458530 YPSOAHADLOQWQL-UHFFFAOYSA-N 431.417 2.393 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 751213792 ZOOBUGWOCKGPRL-UHFFFAOYSA-N 426.420 2.062 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cc(C)ccc2F)C1 760322331 WYAACOYWBVYCIY-CZUORRHYSA-N 435.525 2.006 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCN1C1CC1 772221700 JEFKDZGBBOAKON-CQSZACIVSA-N 433.299 2.316 30 10 IEEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCS(=O)(=O)C1 774234221 LZFMQFRCIRYCDN-RDJZCZTQSA-N 441.500 2.089 30 10 IEEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 786119720 DXXVUYRKZLQIMY-UHFFFAOYSA-N 432.933 2.359 30 10 IEEE C=CC[C@@]1(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CCCN1C(=O)OC(C)(C)C 790662190 LBKMZGLITQDEHR-IBGZPJMESA-N 426.539 2.212 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCF)cc1Cl 797816270 NOKYFPMKORQOLK-OAHLLOKOSA-N 430.933 2.318 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C)c(C#N)c1 799549003 HXEDEIMTRFMCQL-AWEZNQCLSA-N 445.497 2.310 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)c1 804517937 LWHGSPDORCYNPQ-QFIPXVFZSA-N 426.538 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 813471388 JLCQVUZESLRKOA-GJZGRUSLSA-N 426.489 2.163 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 877012241 QMWDZHGBPNVTNL-CQSZACIVSA-N 433.461 2.226 30 10 IEEE N#Cc1cc(Cc2ccc(NC(=O)/C=C/C(=O)O)c(C#N)c2)ccc1NC(=O)/C=C/C(=O)O 1084138908 RADVZTXUWRECKM-KQQUZDAGSA-N 444.403 2.179 30 10 IEEE Nn1c(NN=Cc2cccc(Br)c2)nnc1SCC(=O)Nc1ccccn1 1084236106 JNLSXCBVLUFHIJ-UHFFFAOYSA-N 447.322 2.326 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCCO2)cc1 1119042993 YJHFDNINSNTOLZ-UNMCSNQZSA-N 447.543 2.474 30 10 IEEE COCc1nn(C)cc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1125306324 XFNNXKSDYHSIGJ-NMWGTECJSA-N 433.534 2.412 30 10 IEEE CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)CCn1cc(C#N)c(O)nc1=O 1141843150 UXDVECSWWRXIRA-UHFFFAOYSA-N 434.500 2.472 30 10 IEEE C=C(C)[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1 1154676821 ZIVJGIIKFKLKIM-NQIIRXRSSA-N 433.430 2.440 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1158566875 GSGAMNZIWYKMPZ-IRXDYDNUSA-N 440.301 2.364 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1162223057 BUKBWVWXKODVBE-BZROSYFNSA-N 440.500 2.386 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCC3(CC2)CC(=O)C=CO3)cc1 1176610555 PETNQJQKECLRRC-INIZCTEOSA-N 435.546 2.038 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC1 1197369215 XKMALDBZHQLVLB-UHFFFAOYSA-N 432.568 2.165 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)n1 1211731676 VRRVOAKOFIDYPY-UHFFFAOYSA-N 439.921 2.102 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)nn1 1230271288 DRKLLMBMBFEDBY-UHFFFAOYSA-N 442.911 2.195 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286350212 XIKRZPPFNBGJTP-HXUWFJFHSA-N 437.544 2.095 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286360166 CVZYTCKDCZPYDU-IAGOWNOFSA-N 429.496 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(C)COCCO1 1286459264 KBNDQSWOSLGRBY-NRFANRHFSA-N 436.459 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286460427 NDUWBMCNPNQPDQ-WOJBJXKFSA-N 436.560 2.402 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)[C@@H](C)CC)CC1 1286475836 HXRIOHVDJLOJHC-UUOWRZLLSA-N 439.560 2.269 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1286504547 NPDLMMMMMONJNJ-MSOLQXFVSA-N 429.521 2.313 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1286645171 XLZIUORUNSZQBT-HNNXBMFYSA-N 425.480 2.217 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286670844 LNMKVMFPRHKORJ-LJQANCHMSA-N 432.613 2.421 30 10 IEEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1286701805 GEIRNRLUKXBZTK-UHFFFAOYSA-N 428.562 2.398 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1286808763 NLEWFWIMAJOCRD-NRJQMVOHSA-N 429.521 2.128 30 10 IEEE C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)N(C)C1CC1 1288607389 QZTRAKXNRGIWTG-BBRMVZONSA-N 448.369 2.258 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC(C)(C)S(C)(=O)=O 1294109907 HRVWDLVVNCYSCN-KRWDZBQOSA-N 435.546 2.332 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccncc1Cl 1298776133 JVGFRQILUGGYND-UHFFFAOYSA-N 430.921 2.394 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1300456213 XXASZNHXFYNLEL-UHFFFAOYSA-N 435.488 2.142 30 10 IEEE COc1ccncc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300702508 RPMULUFJZJRCGI-NHCUHLMSSA-N 430.484 2.213 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1300984721 IAFKMELFJLJHDJ-MJGOQNOKSA-N 438.532 2.212 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)C1)OC 1301028718 AICSLIOKUTUJQT-DENIHFKCSA-N 429.521 2.395 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301033320 CNGFWTSQPQPAQE-HXUWFJFHSA-N 445.999 2.324 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)c2occc2C)CC1 1301058781 GKRIMCZHBYIGJR-UHFFFAOYSA-N 426.521 2.392 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCCOC)CC1 1301119909 AQFSAYXTIGLDDB-SFHVURJKSA-N 426.521 2.100 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1301261704 KVANSWOIMRXGEO-KRWDZBQOSA-N 441.580 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301491604 LWBADJOKTOHJFG-INIZCTEOSA-N 443.895 2.170 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1301535241 JODDKVVKTQHYLH-FZYZMVIOSA-N 445.589 2.124 30 10 IEEE CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301929584 DGQNKVIDLZKVCT-UHFFFAOYSA-N 449.490 2.069 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1302223805 KBNPCQFXGAKSLA-UHFFFAOYSA-N 448.531 2.351 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1303307633 FVMXLINDUSFTAK-UHFFFAOYSA-N 433.564 2.499 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1303628495 CFZQPLCYFGQYFW-RXVVDRJESA-N 448.575 2.498 30 10 IEEE C#C[C@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CCOCC1 1309700952 GPKKOXSTRJQLBK-CTNGQTDRSA-N 434.558 2.383 30 10 IEEE O=C(NCc1nnnn1CC1CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1312563833 DRBOLBLLCRLEQX-DTORHVGOSA-N 448.318 2.396 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCOC2)CC1 1313923957 BKQHHELACOIQBP-TZIWHRDSSA-N 437.592 2.315 30 10 IEEE CNC(=O)c1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)c1 1314978779 HFQLHSDGBXWRJW-MRXNPFEDSA-N 446.515 2.266 30 10 IEEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1316263469 NJBJOPJIJGJNAF-QGZVFWFLSA-N 441.305 2.151 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1318127319 GAMAFULMBYRPIE-HSZRJFAPSA-N 436.468 2.097 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1353129020 BSCMFZHVAZUFSZ-UHFFFAOYSA-N 438.469 2.137 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H](n2cccn2)C(F)(F)F)c1 1355995405 FAAKRLPHFDFPHR-GOSISDBHSA-N 434.418 2.250 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1358927349 VLXAOVOHCRPIRY-QGZVFWFLSA-N 447.543 2.180 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1358934116 PXVWTPNHXOCBCV-UHFFFAOYSA-N 425.533 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1358991194 QNRZUPYPIFHFKZ-QGZVFWFLSA-N 425.537 2.302 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCC(C)CC1 1359023483 LZAPEOFJZHCUJB-GOSISDBHSA-N 442.564 2.212 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1359057725 HBOKMNGLDTYPDX-SFHVURJKSA-N 443.529 2.045 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1359058670 MAQVOGFYFVLLTG-UHFFFAOYSA-N 440.617 2.179 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359140597 GZBULGDUARFWNE-UHFFFAOYSA-N 435.985 2.354 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359213782 GRBVVNYSHZNGBG-CQSZACIVSA-N 430.534 2.429 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCNS(C)(=O)=O 1359259931 MXKLOERTOPIPGW-UHFFFAOYSA-N 430.509 2.221 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1359291667 ZRARLKOTIJLSAO-MRXNPFEDSA-N 435.488 2.471 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359294280 PLEYLMUURONJDL-VFNWGFHPSA-N 431.924 2.285 30 10 IEEE CC1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1360827515 MRWFXWHKDLAWBE-HNENSFHCSA-N 428.537 2.151 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1C 1360879327 JPQOGCISJODISU-PNCHPQGNSA-N 438.532 2.242 30 10 IEEE CCS(=O)(=O)N(C)CC(=O)Oc1c(Br)cc(C#N)cc1Br 1437081097 ILPCHYOXXLXVLV-UHFFFAOYSA-N 440.113 2.270 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(F)c(Br)c1F)c1cc[nH]n1 1453982243 LMZDNAAQAYDYBV-UHFFFAOYSA-N 431.193 2.373 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)c1 1458039063 ARNMXAGBTHHTJB-HXUWFJFHSA-N 434.521 2.374 30 10 IEEE COC[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCOCC1 1460408228 IDZOGGAQHKJHLN-RXVVDRJESA-N 444.576 2.387 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1469398682 UTDGLFTVYKEOAS-PBHICJAKSA-N 435.546 2.237 30 10 IEEE CCN(CC)[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1501803299 HTRPBQDMFOYTEO-GOSISDBHSA-N 441.628 2.447 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C[C@H]1C 1502322763 DYXFYGAWBKRPOV-DENIHFKCSA-N 437.592 2.194 30 10 IEEE COc1cc(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)ccc1C 1504083558 DWZRQJRTVAJKQM-HXUWFJFHSA-N 435.532 2.428 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1504283520 ZUOWEJNSUKNVDA-DENIHFKCSA-N 427.505 2.104 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1505327213 YHUDRBOIQGEQEW-UHFFFAOYSA-N 449.602 2.000 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCN1CCOC1=O 1507701468 HWSZVLDZYOAKOI-GOSISDBHSA-N 427.480 2.403 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2CCC)CC1 1507736655 OZXOIWUEOOVMOE-NRFANRHFSA-N 435.576 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507812561 XRVIOWIVSUWCDA-ZOBUZTSGSA-N 445.486 2.301 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507960539 ZJSSZTPFIDONDB-AEFFLSMTSA-N 426.477 2.161 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1507983278 UYYFCIKZULROQK-UHFFFAOYSA-N 438.532 2.229 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1508021577 XIIZOVCDAPWAKM-QGZVFWFLSA-N 426.546 2.130 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(C)(=O)=O)C1 1508111522 GSXNHNPOFXBXCY-QGZVFWFLSA-N 427.530 2.319 30 10 IEEE CC(C)(C)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508486045 IAJVXPJUMPVUGC-MJWGMMHASA-N 428.537 2.107 30 10 IEEE CC(F)(F)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1510129073 MPFOBKMEKXVYKP-UHFFFAOYSA-N 444.490 2.153 30 10 IEEE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1513481675 LSZJXVNQTDPRAL-WTGUMLROSA-N 443.573 2.349 30 10 IEEE CCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1514479327 IKSOPSLMMCLAKQ-QFIPXVFZSA-N 425.537 2.324 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2(O)CCCCCC2)cc1 1521094680 FDRDZWVSWIHRSX-UHFFFAOYSA-N 429.546 2.137 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1529543549 QMJCTZPGAYSCAM-HIEASXQVSA-N 430.505 2.442 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1OC 1537844864 PAJVVIDFXZHSMP-DNVCBOLYSA-N 436.468 2.396 30 10 IEEE C#CCCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539086764 LGWNWVUODFSBNK-QHCPKHFHSA-N 441.580 2.182 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1539204157 ZHYWEQDLTREHQM-FGTMMUONSA-N 430.578 2.192 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1539212059 MVWKMBSCFZTFAG-SFHVURJKSA-N 425.514 2.111 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(C)(=O)=O 1539635972 IPBUTJRPFMADKT-QAPCUYQASA-N 439.607 2.096 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1539751377 MCAKRDFKQZRKNH-IBGZPJMESA-N 443.523 2.476 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1540012083 ANTCOEXAFCMTEN-INIZCTEOSA-N 446.577 2.212 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1540200569 CYNJYAFIGKHVOV-INIZCTEOSA-N 440.516 2.340 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnc1Br 1540728811 WBSKKBCFHVCGEB-UHFFFAOYSA-N 449.330 2.171 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)OC)CC1 1540880894 STNRTBIJVVWCOF-GOSISDBHSA-N 439.516 2.232 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540881824 TWRNPCZBMQAQIG-MJGOQNOKSA-N 425.533 2.390 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 1541626045 KMVOQBSOVQMZBL-KHPPLWFESA-N 434.452 2.253 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC1CCCCC1 1541675646 SAFZUEOUWAIXAB-LJQANCHMSA-N 443.596 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 1543489029 WAJJPXXMNYOKQS-AWEZNQCLSA-N 434.459 2.491 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1544266618 YIFRSIGNKPESQP-ZJPYXAASSA-N 446.552 2.156 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 1545816301 GBPRJDBALRCZPY-LJQANCHMSA-N 429.473 2.044 30 10 IEEE CC[C@]1(C)CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1546072445 FKWCWTYDGVXLAZ-XBEJARPLSA-N 428.537 2.325 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1547794500 BMQMHOZXVSWUQV-UHFFFAOYSA-N 434.504 2.300 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(OC)CCOC1 1555545326 CXBBHKMSPXMBLJ-NFBKMPQASA-N 441.532 2.112 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1555723846 FTZYWSUUOABXDJ-UHFFFAOYSA-N 427.505 2.009 30 10 IEEE CSC1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1555866403 FSJDSJGBJXRIKN-KRWDZBQOSA-N 447.634 2.190 30 10 IEEE Cn1ccnc1CNc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1556457877 SBMKTTABZTUTNK-OAQYLSRUSA-N 428.496 2.435 30 10 IEEE COCCN(CC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1556908689 XNZRJLCLOINLJC-UHFFFAOYSA-N 445.497 2.261 30 10 IEEE CC(C)(C)OC(=O)N(CCO)C1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 1560056194 AWUAWIRCSSYHSL-KRWDZBQOSA-N 434.562 2.419 30 10 IEEE C#CCN1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1565814881 LSQTYXQMIVSGRV-UHFFFAOYSA-N 442.497 2.177 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCc2ccn(C)n2)c1 1587690106 ZONZRHRZMHMIKL-UHFFFAOYSA-N 442.527 2.316 30 10 IEEE CN(C)S(=O)(=O)c1cccc(CNC(=O)Cc2ccc(Br)cc2C#N)c1 1587920247 PQEBCZZGLOYIJC-UHFFFAOYSA-N 436.331 2.430 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC(F)F 1587931966 HBRDONJRDHXUPR-UHFFFAOYSA-N 442.264 2.167 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1588377809 BIXUBXPVGTZNGO-IBGZPJMESA-N 432.546 2.462 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(F)(F)C1(OC)CCOCC1 1588647800 YSUDUOHMUISZCS-QGZVFWFLSA-N 442.507 2.089 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1589528216 DLCCSRZPMNUJCG-FPOVZHCZSA-N 430.597 2.175 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1594943859 ZVNFHKXEEKLYAM-KRWDZBQOSA-N 437.548 2.018 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCOCC1 1595308042 VIMXDCPWXIPYLD-UHFFFAOYSA-N 425.533 2.461 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1595544871 NLHOOWXEPDEJSN-HKUYNNGSSA-N 429.521 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1595687828 DBGBZTSXFQCLBW-FQELHTAISA-N 429.477 2.175 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595871379 PHTBETNGDRPWHK-LAUBAEHRSA-N 431.537 2.385 30 10 IEEE COCCCN(C[C@@H](O)c1cccc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1616232239 WWZAEMRQWMXQQK-HXUWFJFHSA-N 449.511 2.028 30 10 IEEE Cn1cc(C[C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)C2)cn1 1618404852 DMSXYBYYRJRMJT-GOSISDBHSA-N 435.532 2.302 30 10 IEEE CCOc1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N(CC)CC 1622764026 CNTHBSFPADYTPI-UHFFFAOYSA-N 437.566 2.179 30 10 IEEE N#Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)[nH]c2ccccc12 1625906976 FGTNAJYFZUDSPR-INIZCTEOSA-N 438.509 2.427 30 10 IEEE CCc1ccc([C@@H](C#N)NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1628903973 SMZZHUVJEQEEQL-ZWKOTPCHSA-N 435.546 2.354 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)c1 1631704320 JZCSJWUALYQCJR-UHFFFAOYSA-N 448.523 2.022 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)s1 1632066079 DYMICPWBEKTRCO-MRXNPFEDSA-N 449.598 2.406 30 10 IEEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919140 UIRJPAKGYSJVPQ-MRXNPFEDSA-N 446.433 2.352 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)NC1CCN(CC#N)CC1)C2 1638310114 FAHKFXJJGWRIHF-SFHVURJKSA-N 444.532 2.474 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1649086025 BWZXOXULDOULCL-UHFFFAOYSA-N 441.285 2.231 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1OCC(F)F 1649538289 BISOOGRQSTUKFL-VFNWGFHPSA-N 435.475 2.475 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1649673003 ZVZSLIJITJKNQP-LJQANCHMSA-N 429.546 2.257 30 10 IEEE C=C(Cl)C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC 1652125233 MPGMISYKMRMZIE-OAHLLOKOSA-N 447.897 2.102 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)Nc2cccnc2C)cc1 1667322093 NIVRYFYIAJQNJR-HNNXBMFYSA-N 431.518 2.345 30 10 IEEE COc1cc([C@H](C)NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1S(C)(=O)=O 1676808028 MRHNGLCKJLNBMF-KSSFIOAISA-N 431.514 2.406 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1680778554 GXGCSJLCADXLQM-JPYJTQIMSA-N 426.517 2.422 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1689893089 UCOAPVQZENZXOY-CVEARBPZSA-N 447.527 2.057 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689991849 DKHGVIZLNIBNAH-NHCUHLMSSA-N 444.601 2.475 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)c1ccccc1 1690102979 ZDLVWNRGYLYNLP-IBGZPJMESA-N 432.546 2.080 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)C(C)C)CC1 1690133759 SGBIZHGZYLDJQB-HSZRJFAPSA-N 427.549 2.028 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(C)CC2)CC1 1690137710 HFIQRKZENJRSCI-DEOSSOPVSA-N 443.592 2.475 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCN(CC(=O)N(C)C)CC3)nnc2C(C)(C)C)cc1 1690681122 GWVJTZYSFCJACQ-UHFFFAOYSA-N 440.592 2.399 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CCCC1 1694293305 AXDCCIWZSPKZMM-OAHLLOKOSA-N 438.598 2.150 30 10 IEEE CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1695146810 PEIQZMULKXEEHB-JVMRMLDLSA-N 430.553 2.398 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC[C@H]1C 1696328375 DHSDKOKOYYHVRE-AEFFLSMTSA-N 426.569 2.491 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1 1696495954 KMZVVEBCSNYPOA-LJQANCHMSA-N 428.562 2.382 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](C)OC 1698164915 LAGGEMXBTIXCFP-IAGOWNOFSA-N 446.527 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705478075 WHACTQUHCFGLFD-JFIYKMOQSA-N 449.552 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1705506289 VENLNMCWAZXYLD-PTDBIEIZSA-N 435.594 2.375 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1705523410 QKDRURBBPRKZOL-MRXNPFEDSA-N 429.908 2.274 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705569083 YYGCTMQRKBRBKB-HNNXBMFYSA-N 442.463 2.089 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1705580344 IOKATCVNSMWHTD-XMMPIXPASA-N 432.528 2.299 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1705694217 PLCYNZORVMBGGQ-JKSUJKDBSA-N 444.502 2.082 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705731826 DZLWOXBUTQJVEA-HXUWFJFHSA-N 435.532 2.450 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NC(C)C)C1 1705920888 GWFPFKWTQJWEDM-QGZVFWFLSA-N 429.521 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC)C1 1705925052 JYNLYHINLCCZTE-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCC2)CC1 1705933544 KRPFTKRFTINBIA-UHFFFAOYSA-N 445.589 2.229 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@]2(CCOC2)O1 1708177140 LVTRFUKAZVLOLX-BTYIYWSLSA-N 433.459 2.483 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCC(F)(F)F 1708758743 VQIKVGBLBGJQIQ-ZDUSSCGKSA-N 434.488 2.221 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccccn2)CC1=O 1712468426 CYIOLLWJICSMOG-LJQANCHMSA-N 445.527 2.343 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(=O)C1CCC1 1712634975 MCGSLSOEMRZBER-OALUTQOASA-N 444.580 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(OC)CCOC1 1722279997 VUUICRIFKWMMFS-IVZQSRNASA-N 430.505 2.234 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1722458933 YAVKIGXFQUZFAC-ICSRJNTNSA-N 438.601 2.306 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1722465774 CRLPALUOONSPIE-HSZRJFAPSA-N 432.532 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1722492074 PUVNDXJPNLOUCR-WDYCEAGBSA-N 449.577 2.212 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 1722504194 FHMTYXCRAPGFBX-FXAWDEMLSA-N 425.537 2.198 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1722523076 YSYGBIDKAMUTSU-MRXNPFEDSA-N 426.525 2.075 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722625281 OFTKXJDIUSZCBU-QFIPXVFZSA-N 441.557 2.424 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722628199 SYLGGLPRBSXKMP-MRXNPFEDSA-N 445.486 2.270 30 10 IEEE CCc1nnc(N(CCC#N)CCOC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1727525097 SEUPUTACAKDMJN-BZSNNMDCSA-N 448.568 2.231 30 10 IEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1728369971 BKFOOHKAJDLVDW-QGZVFWFLSA-N 430.578 2.028 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1740536750 MARQPLAMPGGRBA-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1cccs1 1740646013 OFCJWZXWEQZKKY-IAGOWNOFSA-N 433.603 2.292 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C(C)C 1740652905 RHBMZYSBHHYOIN-QFIPXVFZSA-N 442.589 2.108 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1740659982 BRYSNNZFWYEYJK-UHFFFAOYSA-N 445.527 2.270 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCn2cc(Cl)cn2)CC1 1740699474 INXVFEZMXLIPIG-UHFFFAOYSA-N 439.951 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCN(CC)C2)CC1 1740708341 LZHWLHXPEDMOSA-FQEVSTJZSA-N 426.609 2.318 30 10 IEEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740743714 BWMOHMCNLVDNTR-CQSZACIVSA-N 437.342 2.317 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1740756182 OERXOWJMQCGKIF-PXNSSMCTSA-N 429.521 2.123 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)CC1 1740844436 ZKFRECQBOHIMFF-UHFFFAOYSA-N 427.553 2.296 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1740917003 DGHZMOSNPLBFBP-CQSZACIVSA-N 447.590 2.289 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1741693581 QMIKXKOSGKFJCL-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1746252499 CXOUAYPFFXKMSN-GOSISDBHSA-N 428.562 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1748667644 XOYOAJINZOYYLN-AWEZNQCLSA-N 440.529 2.019 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1748801511 BIBLHEIYXOKSTI-QGZVFWFLSA-N 430.578 2.100 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748812151 QYGSRQCHWHYZKZ-ZDUSSCGKSA-N 447.508 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(C(C)(C)C)s1 1748825542 YXZTUIMVBUOZIZ-UHFFFAOYSA-N 434.529 2.196 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749048848 WOHMITNBRWSSFG-IRXDYDNUSA-N 432.477 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749132910 FSJIDYJDQCUYCF-VIZSFHNOSA-N 444.624 2.345 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1749141949 NMNNINRCLGITPV-OAQYLSRUSA-N 440.592 2.434 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1749154336 PLSHVDBZPUWDRM-UHFFFAOYSA-N 433.520 2.254 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749249853 TXYITUCZMMKWGY-HXUWFJFHSA-N 449.342 2.473 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(C)c2)CC1 1749303468 KXOBOPSPJVJTFS-IBGZPJMESA-N 443.573 2.075 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1749413416 UPPURHNATLCVNV-GOSISDBHSA-N 432.594 2.490 30 10 IEEE C=CCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1749439679 GKZBYEFQSDGBAG-HSZRJFAPSA-N 437.548 2.490 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1749676447 QMXSBODPZJOLPZ-DEOSSOPVSA-N 432.528 2.318 30 10 IEEE CS(=O)(=O)NCCCn1c(N2CC[C@@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1750215991 KAVOKRBATOUEQS-HXUWFJFHSA-N 446.552 2.129 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760184786 YYSNYYLJPZEJRO-HXUWFJFHSA-N 429.590 2.337 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760185723 BXYHDEJKPZYBJY-SFHVURJKSA-N 432.594 2.158 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189683 KYLGVLDUIIFCFY-MOPGFXCFSA-N 447.630 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(N(C)C)CCSC1 1760212512 WMVQEWBXCITKNO-PKTZIBPZSA-N 445.633 2.219 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1760225901 ZVCRSCITIINBLD-INIZCTEOSA-N 428.562 2.380 30 10 IEEE C=C(C)COCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1760361250 IKVZSLLJDIOEIW-QHCPKHFHSA-N 449.596 2.218 30 10 IEEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1760455758 YKXVCPMYLMLKEV-UHFFFAOYSA-N 430.574 2.310 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 1760523818 INVLJRDUGHXVTJ-MRXNPFEDSA-N 444.511 2.056 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1760545786 BLNQGFPSCPFBFA-QGZVFWFLSA-N 433.553 2.306 30 10 IEEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760800472 JPQAOWVENKNEHF-MOPGFXCFSA-N 438.532 2.494 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1761258046 FZVOGBHCZGFCJO-GOSISDBHSA-N 432.532 2.144 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)cc2C)n1 1762460981 ZUFCYCJRBJRQIU-NRFANRHFSA-N 434.548 2.291 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1764568266 BMQPEWBFRKKTNK-OAHLLOKOSA-N 449.481 2.416 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1766622097 YOGDKNYQJBDDCQ-GOSISDBHSA-N 440.548 2.458 30 10 IEEE COCCCN(C)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771040717 SMGZATKPSROFPS-LJQANCHMSA-N 441.555 2.229 30 10 IEEE COCCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1771236637 KZTLNMMGGNHBHQ-IBGZPJMESA-N 434.500 2.451 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1771535686 VPRBWIYIMWIDTD-LJQANCHMSA-N 445.518 2.360 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1772567019 GZKRKOFXQOJZND-PMACEKPBSA-N 441.532 2.408 30 10 IEEE N#CC1(CNC(=O)C2CCN(Cc3cnnn3-c3ccccc3F)CC2)CCOCC1 1849955138 OLGLXQQGTMPDFF-UHFFFAOYSA-N 426.496 2.055 30 10 IEEE CN1CCC[C@@H]1C(=O)O[C@H](COc1ccc(C#N)cc1)CS(=O)(=O)c1ccccc1 1852506076 XLFRLFNXBGDNTD-TZIWHRDSSA-N 428.510 2.417 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3nc(C)sc3c2)C1=O 1853681360 AFQQSKZNQVITBU-QZTJIDSGSA-N 426.542 2.455 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CCC(F)(F)F)C(=O)C3)C2)c(F)c1 1854319205 QPBFDEOJUAZLOI-MRXNPFEDSA-N 426.414 2.285 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cc(Cl)ccn4)C(=O)C3)C2)s1 1856381361 XMPYLWPLQCQFKC-OAHLLOKOSA-N 429.933 2.227 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)COc2ccccc2F)C1=O 1857049401 ONGLNWSYPZHLQW-AWEZNQCLSA-N 431.445 2.074 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(N(C)C)cc2)cc1 1862691488 NXIJBKDHTUVUKA-NRFANRHFSA-N 437.496 2.476 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1864949058 UCLHSKJVTJEIEU-KRWDZBQOSA-N 427.461 2.458 30 10 IEEE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](CO)C(=O)Nc1cccc(C#N)c1 1867217148 HHDDSODRRQULLL-FQEVSTJZSA-N 430.464 2.055 30 10 IEEE CCN(CC)CCCNC(=O)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933341 DJDDFFGWJOXJGV-FQEVSTJZSA-N 428.558 2.315 30 10 IEEE COCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)C 1870324195 YUDLMAZNVRJIIC-UHFFFAOYSA-N 444.557 2.386 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1cc2ccccc2oc1=O 1873710848 WTHBXTIAFUOPIU-UHFFFAOYSA-N 425.466 2.188 30 10 IEEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 1875230903 RSAZQRJCGVRUOX-SFHVURJKSA-N 427.892 2.233 30 10 IEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 1890945304 JLYFTWZLRGAGLY-CYBMUJFWSA-N 434.543 2.042 30 10 IEEE CCc1ccc(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cc1[N+](=O)[O-] 1891026550 KYAVRXMVMHHCFS-UHFFFAOYSA-N 442.560 2.419 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CNC(=O)OC(C)(C)C)C(=O)OC 1999246739 UIIOMPKBZQGSFZ-QGZVFWFLSA-N 439.553 2.387 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2067758938 VQYHPPPZWHZGNW-UHFFFAOYSA-N 432.326 2.466 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2124516533 UGVPLZTYSOJTLD-UHFFFAOYSA-N 447.345 2.251 30 10 IEEE C=CCN(CC(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2212239735 NSSGLBVSUWPANP-NRFANRHFSA-N 427.542 2.288 30 10 IEEE CC(C)(CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243370411 OIJVAFXIFIIRNH-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247918377 KGKMCYMKQOACKX-HXUWFJFHSA-N 440.371 2.053 30 10 IEEE C[C@@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2248416835 ZKBSMYKISMUPDK-OCCSQVGLSA-N 437.371 2.456 30 10 IEEE CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](CNC(=O)OC(C)(C)C)C1 2254800762 OODCOPOIGYYNDP-QGZVFWFLSA-N 432.374 2.026 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H](C#N)C1 2255640355 XMAGIVXICYZMHY-ZDUSSCGKSA-N 448.354 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255694074 LKBQNRWVDZDXKD-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE CCN(CCN(CC)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255831369 USLMWBZOHRCLSM-UHFFFAOYSA-N 436.362 2.428 30 10 IEEE CCN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267174119 CHNHDINFWUDRBE-MRXNPFEDSA-N 446.357 2.247 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267185726 ZOOVAXCBISSRDC-SFHVURJKSA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267190339 MWMUMRZCTQYTHI-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267596723 QDZQPEUEOKIDPX-IQMFZBJNSA-N 443.353 2.368 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267880216 QXPQVXAJWZFPQU-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE CC1(C)OB(c2occc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269050885 VSLGZYBDQDSHMZ-HSZRJFAPSA-N 440.305 2.038 30 10 IEEE CC#CCN(CC(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300546719 YRWJFJFRCFELFX-QFIPXVFZSA-N 439.553 2.125 30 10 IEEE C[C@@H](C#CC(=O)N(C)C[C@]1(O)CCCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 2302424336 VCEUPLCTVIXAIY-YADARESESA-N 429.561 2.389 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)n1 2315400747 YJNXZSTYZGSLAF-JOCHJYFZSA-N 433.358 2.473 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2337030043 MAUXQHSVUDEAJU-SFHVURJKSA-N 446.401 2.334 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1CC2=NO 2364183372 CKKGLHWPSDWVIQ-CVEARBPZSA-N 433.530 2.487 30 10 IEEE O=C(O)CC/C(=N/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C(=O)O 9562278 NGQOPTJGOROEQY-RGEXLXHISA-N 436.402 2.113 30 10 IEEE COCCNC(=S)/N=C(\Nc1ccc(Cn2cncn2)cc1)Nc1nc(C)cc(C)n1 14159142 NEPOYKYCCXGDGN-UHFFFAOYSA-N 439.549 2.134 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCc1ccc(Cl)cc1 20914653 UOIUCITYPJTOEQ-LSHDLFTRSA-N 431.909 2.205 30 10 IEEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(OC)c(C)c1OC)CC2 72150423 YRKDFQHTSDNSOX-GOSISDBHSA-N 432.517 2.486 30 10 IEEE C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 110929100 BYJCWLHJUIMNGG-INIZCTEOSA-N 428.514 2.238 30 10 IEEE CC(C)(NC(=O)c1cc(Br)ccc1I)/C(N)=N/O 232528431 YTMHDOJKHSWYBF-UHFFFAOYSA-N 426.052 2.309 30 10 IEEE COc1cccc(CN2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254382813 YZHLEDGTSBGAOD-MOPGFXCFSA-N 446.550 2.371 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 301368126 OKCALQNUGOGCHU-UHFFFAOYSA-N 439.324 2.475 30 10 IEEE C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1NS(=O)(=O)c1cccs1 409854272 JAVCODGTEUEAMB-STQMWFEESA-N 430.515 2.450 30 10 IEEE CCOC(=O)c1c(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(C#N)cn1CCOC 432421771 QQQQEGWICJREHI-ZMPRRUGASA-N 448.520 2.373 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(COC)c2)c1=O 440384776 ADULUGGVCQYEEK-UHFFFAOYSA-N 434.517 2.471 30 10 IEEE CN1CCC(=O)Nc2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)ccc21 469103537 RGPIXNWUWWPAFN-IBGZPJMESA-N 435.509 2.490 30 10 IEEE C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2c(F)cccc2CC)c1=O 479283582 NQXHKHIITWYTTJ-UHFFFAOYSA-N 430.545 2.138 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 487361818 ICBFNDYLGURVKG-UHFFFAOYSA-N 445.451 2.393 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 506258758 KKLWAFGUTGFTAS-UHFFFAOYSA-N 431.537 2.387 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508734481 QYSOSCINYJQEHM-QGZVFWFLSA-N 426.477 2.115 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 508951693 NJKUZESBOBFNRP-UHFFFAOYSA-N 426.477 2.115 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)CC1 512709865 HZLUMDLHEHRJQV-UHFFFAOYSA-N 437.475 2.397 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 513784020 JKUGPHAVYXQGRA-UHFFFAOYSA-N 446.960 2.242 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 514753041 BVTMHXBHTKCXFL-JTSKRJEESA-N 448.589 2.224 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)CC1 522308385 KURWUMIRSMUHMC-FQEVSTJZSA-N 427.593 2.048 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)ccc2C)c1=O 522674164 ZHQWFONKTYLJKE-UHFFFAOYSA-N 438.549 2.352 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 525016206 JUYFSQAZHBJHCK-AEFFLSMTSA-N 431.464 2.473 30 10 IEEE CSc1nnc(CCCNC(=O)N2CCN(c3ncccc3C#N)CC2)n1CC(C)C 525445759 GTYQWXDDJCPIEH-UHFFFAOYSA-N 442.593 2.387 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1-c1ccc(F)cc1 534401788 RATULKYAXDEBLE-UHFFFAOYSA-N 431.851 2.080 30 10 IEEE CCc1cnc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)s1 538352120 RHWNPTGDCLFPPB-SFHVURJKSA-N 444.630 2.298 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 540601971 BDGPOHWABMMWIW-GMHRPJKWSA-N 442.545 2.452 30 10 IEEE N#Cc1cccc(N2CCN(Cc3nnc(C(=O)NCc4ccc(F)cc4)s3)CC2)n1 546209671 HHBQXJUUUSTJGO-UHFFFAOYSA-N 437.504 2.196 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 549286047 WEJXPSGGCKJWHJ-UHFFFAOYSA-N 432.956 2.059 30 10 IEEE COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1C#N 564507374 WPVRXHNDURYZAL-UHFFFAOYSA-N 438.509 2.156 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1c[nH]c2ccc(Br)cc2c1=O 572204061 ZBCMVACFSAIVLF-UHFFFAOYSA-N 429.278 2.172 30 10 IEEE CCOC(=O)CCC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 610979345 GAGHBNFWVXVXSX-IBGZPJMESA-N 440.500 2.345 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 670231963 ZFZWJHHKBMHDIQ-CQSZACIVSA-N 429.506 2.115 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CO)c(F)c1 728209712 OHSMHXOSIIZHCZ-UHFFFAOYSA-N 433.505 2.233 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4nnc(S)n4CC)CC3)cc2C1=O 731645012 DQLGBUSOVQWXQC-UHFFFAOYSA-N 425.514 2.389 30 10 IEEE COCC[S@@](=O)Cc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 735181129 YCGNZFNBMRESDB-SSEXGKCCSA-N 427.530 2.202 30 10 IEEE CC[S@](=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 743119758 WQAVRISXLBRLGN-ZOOVNEQTSA-N 428.580 2.170 30 10 IEEE N#C[C@@H](C(=O)CCOCC1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751826976 MJBCIZXDDDQSBX-IBGZPJMESA-N 433.530 2.325 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCC(=O)O 757264821 KXSGDEPTRMTJCY-OAQYLSRUSA-N 436.464 2.134 30 10 IEEE C#CC[C@@H](NC(=O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757333775 VHUDVTBTCPVEMN-OAQYLSRUSA-N 436.464 2.134 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CN(C)C)C(=O)O 757427001 BCJAMDBBDWLUEO-YADHBBJMSA-N 449.507 2.048 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 760779244 WMWRFQGYACNIKQ-UHFFFAOYSA-N 445.520 2.132 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](C)S(=O)(=O)CC2)cc1OC 760789168 KNAMPDMLZFPWOS-INIZCTEOSA-N 426.535 2.260 30 10 IEEE COCCOc1c(Cl)cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 774243070 QWKYAEFKRRHNAQ-AWEZNQCLSA-N 441.315 2.156 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790221052 DFZLMXFIGKWYCX-UTKZUKDTSA-N 441.594 2.359 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)CCN1C1CC1 792220759 DVLILXBCIFUNAO-QGZVFWFLSA-N 438.919 2.152 30 10 IEEE COc1cc(C#N)cc(OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 792673182 WIHZAGNSWUTKOX-KPKJPENVSA-N 441.509 2.091 30 10 IEEE C[C@@H](C(=O)OCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)n1cnc(C#N)n1 798743571 ITCPYOUOKHVJMF-LHSJRXKWSA-N 443.891 2.404 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3cccnc23)CC1 804975460 HESQEKPMFJHFBF-UHFFFAOYSA-N 436.331 2.147 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807941660 RSWIJHSMQOCFTP-RWMBFGLXSA-N 448.455 2.494 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(CC(=O)N2CCCC2)no1 809462041 ROSDTIHBEZROOE-HNNXBMFYSA-N 431.518 2.060 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1nnc2n1CCCC2 917701729 ZTEKFWUHMPPTTN-QGZVFWFLSA-N 449.540 2.286 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2cccc(F)c2)n1N)c1ccc2c(c1)OCO2 1084113181 AOUOOJJQRYRBOQ-UHFFFAOYSA-N 443.464 2.427 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C1(c3ccc(C#N)cc3)CCCC1)CCS2(=O)=O 1134654983 TWPNACDYOBOACV-OZWAEMERSA-N 444.553 2.385 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1135983644 YEQXMUMHVRXSOD-SELNLUPBSA-N 428.533 2.156 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1 1149824795 AJFFZRHTMQFZKD-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE CN(C)CCOc1ccc(CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1153866266 MXOQGTDOVLNNGW-AZUAARDMSA-N 430.549 2.435 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)s1 1171272408 XDYIPLBRUYFHGY-UHFFFAOYSA-N 445.566 2.449 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)Cc3ccccn3)nnc12 1183837055 SIGSEQUSDGXUAJ-HNNXBMFYSA-N 434.525 2.465 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)CCCN1C(=O)OC(C)(C)C 1184101558 SQEGBMMFVFTIMR-HSZRJFAPSA-N 442.516 2.286 30 10 IEEE C#C[C@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccc(Br)cc1 1230499122 QZUIJLLXZSPXCL-APWZRJJASA-N 447.377 2.462 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1286334122 DJHATHOAOZHIMU-SIKLNZKXSA-N 428.537 2.045 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286390030 VKOFVXUICRRPBR-HBFSDRIKSA-N 433.622 2.293 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N1CCOCC1 1286436741 URPGQIIIYITRER-UHFFFAOYSA-N 433.516 2.044 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCc2nccs2)CC1 1286469694 JLNFAIIJJMFPJP-UHFFFAOYSA-N 429.594 2.041 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1Cc1ccc(OCCO)c(OC)c1 1286522749 PEGVQUAVWMUAIZ-HSZRJFAPSA-N 434.500 2.155 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286612306 CPOKELITHBHKCS-OAQYLSRUSA-N 443.596 2.033 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286788096 PYICSCXHSNSNBW-PXNSSMCTSA-N 441.532 2.488 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1286821927 AISNKZUZJXQLME-UHFFFAOYSA-N 443.577 2.293 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(OCCn3cncn3)c2)c1 1291626929 KHTSVJOQABFUGY-UHFFFAOYSA-N 429.433 2.046 30 10 IEEE C[C@@H](CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)CN1CCOCC1 1293931682 ABBUWDNZYCOLIU-UWJYYQICSA-N 442.560 2.477 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1cccc(NC(=O)NCC(N)=O)c1 1297199453 YIBIOHYNVSVRDP-UHFFFAOYSA-N 430.262 2.109 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 1298773569 ITHHMWOULWDCTC-QZTJIDSGSA-N 444.532 2.118 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300348812 QKCMQLKFXOUYHK-IBGZPJMESA-N 431.562 2.275 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1ccc2c(c1)OCO2 1300381479 SUTFCWKPGLURTN-OAHLLOKOSA-N 433.534 2.057 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1300419752 SPQRXXDHZLUXGX-UHFFFAOYSA-N 433.516 2.489 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O 1300431084 SONUYWKKFMSVRX-BBRMVZONSA-N 430.896 2.129 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(F)cc1)N(C)C 1300505883 JXKFUNANSDRMTN-HXUWFJFHSA-N 445.502 2.440 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc(C)nc(N2CCCC2)c1 1300664585 RLQBPXZSVNIDMU-UHFFFAOYSA-N 432.532 2.173 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300985669 UDLGUHVHFMANJR-OPAMFIHVSA-N 440.504 2.042 30 10 IEEE CCOC(=O)[C@@H](NC(=O)COc1ccc(C#N)cc1OC)[C@H](O)c1ccc(Cl)cc1 1301199638 CKNUQOZBXYNKRF-VQTJNVASSA-N 432.860 2.381 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301240598 DDMYDXCYRLCBOM-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)CC1)C(C)C 1301367523 PQIHSOVWSXQDBK-UXHICEINSA-N 435.638 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(C)C 1301497417 VZUJFAQRDCHYME-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1303500001 BTLUXGPXWYELHD-FYYLOGMGSA-N 444.580 2.494 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCO[C@H](C)C1 1305754579 FXIDHKIMQTYTOK-VGSWGCGISA-N 449.575 2.139 30 10 IEEE COCCN(CCC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312468230 CFFWPSPVSMDBDV-HZPDHXFCSA-N 440.541 2.135 30 10 IEEE CCN(C)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1313573413 FWBFSQNVJPPLCO-QFIPXVFZSA-N 431.544 2.493 30 10 IEEE CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1313814268 JWFMHOGTMOHGLA-HXUWFJFHSA-N 438.580 2.106 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)C[C@@H]1C 1315120683 HAHGFECJWAYXIG-KRWDZBQOSA-N 434.504 2.299 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC(=O)N(C)C1CCCCC1 1316102738 ZTYDDBCKAYYAGP-SFHVURJKSA-N 432.569 2.330 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCN1CCOCC1 1316295474 YMAFCFAKHRJMLZ-JTAQYXEDSA-N 446.596 2.245 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CCCO2)C1 1344045902 XTLDEMGKDLWXBV-MSOLQXFVSA-N 432.546 2.309 30 10 IEEE CN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)cn2)CC1 1351894329 GXGVGNKNBYDSNP-INIZCTEOSA-N 438.919 2.350 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1358871765 KBKMULYAQSCAQC-YQVWRLOYSA-N 436.626 2.143 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358960181 YVMLNPPPPBGIDX-SFTDATJTSA-N 441.601 2.446 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1=CCCOC1 1358976865 USPCKWFLLXAHAG-UHFFFAOYSA-N 428.496 2.094 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1359002142 PGMIMYZCCPQITE-QHCPKHFHSA-N 439.516 2.395 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1359038833 MQVNOKWCUGXNJG-OALUTQOASA-N 427.524 2.424 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1 1359094263 YXGJNGIIZWZNRZ-SJLPKXTDSA-N 431.518 2.403 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359096895 IJHZESLXSOFSPJ-HBFSDRIKSA-N 441.580 2.353 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1359132728 DGLYBRVKWCIDSG-GOSISDBHSA-N 439.626 2.084 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)CC1 1359179114 MEWFHZVFAHLYIR-LJQANCHMSA-N 449.577 2.272 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cccc(F)c1 1360684230 MDAVTSLPZIOMTI-IFXJQAMLSA-N 438.504 2.102 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)CCc3cccc(C#N)c3)CC2)c1 1438640994 HLODIOYFHXREFS-UHFFFAOYSA-N 440.569 2.020 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCOC)CC1 1444260725 HFNJWRNYWICKFD-MRXNPFEDSA-N 431.961 2.414 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1454454686 FALAVDKTQUUMSP-JXFKEZNVSA-N 429.583 2.120 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 1455208764 BQFVFXRAOXJBPI-QZTJIDSGSA-N 442.459 2.415 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)cc1 1456063901 NNUYHRSXHKVFSF-AZUAARDMSA-N 446.511 2.368 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CCO2)cc1 1456476242 MMAKWNWTFJDUQV-CQSZACIVSA-N 425.919 2.152 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 1458996246 MYRLHMGKSMFMSR-UHFFFAOYSA-N 433.218 2.157 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1464957534 UNITVBJRYMXEBG-UHFFFAOYSA-N 436.578 2.337 30 10 IEEE CS(=O)(=O)CC1(CCNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1470783058 RLUPWBSVNQXBQD-UHFFFAOYSA-N 441.557 2.153 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)n1 1470847228 PHEZXJWVUALCTF-SFHVURJKSA-N 431.537 2.216 30 10 IEEE N#Cc1cccc([C@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C(F)(F)F)c1 1471420433 DHPJJDOORBSRCA-INIZCTEOSA-N 437.403 2.133 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1495793216 KTCJWMGEOMEZMT-KRWDZBQOSA-N 425.537 2.049 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1503116812 FZBODWYUKSJEFU-ZWKOTPCHSA-N 426.521 2.078 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)CC1CC1 1503464367 QOTQWSIYVUCVIR-LJQANCHMSA-N 429.546 2.462 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C1 1505314889 KSNXFEUBCPKPNO-JXFKEZNVSA-N 439.557 2.362 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631513 FEAIMQUHUGOYBO-AZUAARDMSA-N 444.557 2.225 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507633338 FYCLCWLDYQNHLP-LJQANCHMSA-N 430.574 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(C(N)=O)nc1 1507705395 CMGQBBSIEJDNDE-UHFFFAOYSA-N 430.468 2.320 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507711903 LOIAWLWWNOUCIM-QGZVFWFLSA-N 436.482 2.234 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(N)=O)c1 1507714484 OUMFJXPGNAFUCL-WOJBJXKFSA-N 439.560 2.430 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1508001041 JTGVPGKGXZOHDH-INIZCTEOSA-N 443.577 2.171 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1508072668 FAXSDNYXPWZVMK-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(c2ccccc2)CC1 1508084065 GRHIJSQWIDIIRR-UHFFFAOYSA-N 432.528 2.054 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1508433844 QHBSDLWVULMFBC-FJIDUMEYSA-N 448.568 2.450 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1517105333 GADXAVMKYKXKFX-RBUKOAKNSA-N 429.546 2.115 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1518647299 KCPGBCBOTBTMFM-JQVVWYNYSA-N 433.553 2.110 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519474627 QUOCXVOFTOPNGN-OSCRUYLVSA-N 442.907 2.350 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@H]2CCCO2)CCO1 1521122809 ZYIDOGBZEOTPMJ-MOPGFXCFSA-N 442.476 2.168 30 10 IEEE N#CCCN(CC1CC1)c1nnc(Cc2ccsc2)n1CCC(=O)N1CCOCC1 1521155284 SPNGQZPVUHQDDJ-UHFFFAOYSA-N 428.562 2.309 30 10 IEEE COc1cc(C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)ccc1C#N 1524715782 JYSMCYNGEUHLRY-UHFFFAOYSA-N 439.468 2.191 30 10 IEEE COC(=O)[C@H]1CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)c2ccc(F)cc2O1 1537862875 TWDUWXGNQVDWPZ-GOSISDBHSA-N 428.420 2.177 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1539203540 RUEHGOPOABCJGT-DOTOQJQBSA-N 430.530 2.195 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](COC)OC)CC1 1539445891 JSOPCYSMWRLOFL-LJQANCHMSA-N 436.516 2.017 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2OC)CC1 1539454078 WCPTZEWXULCQFS-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1C 1539557461 UQQGMPRPGYCTCT-DCXXXQMHSA-N 435.594 2.039 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(I)ccc2N)CC1 1540604150 KCHIMAJAPMSGOP-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540902118 AYBRENFHABRBRM-SFHVURJKSA-N 435.594 2.128 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C(N)=O)cc2)CCOC1 1541714434 UVSLTYZTOLMIQM-ZHRRBRCNSA-N 426.521 2.204 30 10 IEEE C#CCN(C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1542210962 GEMNKKRQZBQWES-SJCJKPOMSA-N 446.472 2.085 30 10 IEEE CC(C)COC(=O)N1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1544992316 VWSJYPYVQKXVPA-UHFFFAOYSA-N 425.482 2.063 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1555454647 DMYWEWGHNXQBQG-GCJKJVERSA-N 443.573 2.460 30 10 IEEE CS[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555833327 QYRCZKNBCMWJIT-ONIAQPFYSA-N 448.618 2.383 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)C)cc2C1=O 1556767279 IVFXRDGQXMGECT-FQEVSTJZSA-N 436.464 2.467 30 10 IEEE CC(C)S(=O)(=O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1556889302 GEMGFEDBJAJSSR-GOSISDBHSA-N 435.546 2.332 30 10 IEEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1noc(C(F)F)n1 1556947837 AKCRTSANTLESCO-LLVKDONJSA-N 439.444 2.157 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(OC)cc3)no2)cc1 1557425005 CWRBZHMTKJGDPO-UHFFFAOYSA-N 425.466 2.192 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 1557604618 WCHZWAZNQJIZRY-OAHLLOKOSA-N 437.309 2.427 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 1557989014 SUHJPAPUCUWQCS-UHFFFAOYSA-N 429.498 2.002 30 10 IEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1558464836 OYYLSFBOIYEXFA-FUHWJXTLSA-N 442.541 2.475 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)cc2)cc1 1558602228 JLWYXGUGWLOZHR-NRFANRHFSA-N 427.482 2.445 30 10 IEEE Cc1nc([C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2cnn(C)c2)no1 1561602007 FNVAELWFMNTAEV-AWEZNQCLSA-N 426.380 2.070 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NCCCS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1564850410 GIAYKRSVRPQEAE-UHFFFAOYSA-N 447.948 2.302 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c(F)c1 1584348558 YQHZAEBVHLBHOH-UYAOXDASSA-N 437.393 2.157 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C(=O)OC)nnn3Cc3ccccc3)cc2C1=O 1584988625 HSBYIJGVLDNQAV-UHFFFAOYSA-N 445.435 2.147 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1586377889 RVMCNHSMZSQVSW-NSHDSACASA-N 426.844 2.182 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)OC)C2)ccc1F 1586638403 IWBNRLVFEBJJLL-KRWDZBQOSA-N 432.473 2.203 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1587766149 PIZHBVHKEAVUJX-IBGZPJMESA-N 447.630 2.367 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1588015812 GDEAHXULYVTHTF-QHCPKHFHSA-N 441.601 2.443 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588059892 XECRTGMIVLRGRQ-HBMCJLEFSA-N 449.665 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOC1=O 1588205057 BFXYOOJDKTZLGI-UHFFFAOYSA-N 435.484 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-n1ccnc1 1588246028 ZHMSLMZKCSTHGN-UHFFFAOYSA-N 427.512 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1588246042 ZTZGGXZIZJIMQJ-SFHVURJKSA-N 447.539 2.244 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCC2)CC1 1588762990 PKGAZCBWTHDWIA-UHFFFAOYSA-N 446.397 2.277 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1588985175 PKBGPTZKANOUTB-HNNXBMFYSA-N 438.550 2.158 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1589216104 JULKFZKKYFXWPT-SXWKCWPCSA-N 441.601 2.475 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1593712116 SJGDFIOKSCPWCQ-KRWDZBQOSA-N 449.577 2.013 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(C)(C)C(=O)NC 1595099838 JNXPNPGOMYZUNL-UHFFFAOYSA-N 449.559 2.237 30 10 IEEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1603419512 MZNTVYIDMFHGMA-MOPGFXCFSA-N 434.610 2.421 30 10 IEEE N#C[C@]12CN(C(=O)CSCc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1616328417 HZSGARXCDBRFNZ-XJKSGUPXSA-N 429.361 2.079 30 10 IEEE C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1616470701 IASBLBNUCVIZSL-CQSZACIVSA-N 435.366 2.061 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1616640641 AGYRRFUTTARLPX-HSZRJFAPSA-N 440.548 2.493 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(CC(=O)Nc3cccc(C#N)c3)C2)nn1 1618346575 FLQJUIJAFSZTSR-IBGZPJMESA-N 439.520 2.450 30 10 IEEE COC[C@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CCO1 1619753859 UOGIUCUJCRJIGQ-OAQYLSRUSA-N 437.500 2.436 30 10 IEEE COCCOCCn1c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nnc1C(C)(C)C 1620081779 MDDDHGWOIPVPKO-UHFFFAOYSA-N 443.552 2.302 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1623823347 PJDFXGGZFNONKC-UHFFFAOYSA-N 445.501 2.086 30 10 IEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C#N)CO)c1 1624091013 NYXWGJNPFYSFMY-CQSZACIVSA-N 449.916 2.344 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NC)s1 1625096698 CEOWIGJJTYIYDT-LBPRGKRZSA-N 437.971 2.308 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2N2CCCC2)cc1 1627261357 MVZXTFWRMOUHJZ-XZOQPEGZSA-N 437.565 2.480 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3ccc(NC(C)=O)cc3C2)ccc1F 1634081484 LQRWZWDPBNVZBE-UHFFFAOYSA-N 431.489 2.447 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1639600392 FHMWMZCCVJWRRM-GURRPKIESA-N 432.521 2.199 30 10 IEEE CC(C)(CO)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccs1 1643759525 NATUSKDWQHPHEM-SFHVURJKSA-N 435.571 2.443 30 10 IEEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1643808096 NFGXIZHYBJCYTJ-DZGCQCFKSA-N 435.406 2.356 30 10 IEEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1648466651 MDQFCVKNDDSYGC-JOCHJYFZSA-N 426.561 2.332 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1687205626 CESYKRZXESBYKO-QGZVFWFLSA-N 443.935 2.146 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1ccc(OC)cc1 1689826476 OJMFQVOKVZDNJY-YESZJQIVSA-N 433.578 2.234 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689994299 VUMUIJPLQUOGGM-FQEVSTJZSA-N 442.585 2.133 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(N)=O)CCOCC1 1690008470 HNXLZOFWIOHUFI-UHFFFAOYSA-N 429.883 2.093 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1oc(CC)nc1C 1690039372 CRMAKWBZWVBHCI-UHFFFAOYSA-N 441.499 2.291 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@@](=O)C(C)(C)C)CC1 1690117270 BFYNZLQRRJUBBN-GDLZYMKVSA-N 434.997 2.296 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1690170029 XAARMQAUWIUPJE-UHFFFAOYSA-N 435.557 2.007 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1690262637 IJGXOKDEGXRUJC-UHFFFAOYSA-N 441.580 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690663632 CFCHNALWSBDRJU-BTYIYWSLSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690664486 VKJMRIXOUOOLRE-INIZCTEOSA-N 443.914 2.216 30 10 IEEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(=O)NC)C1 1690738564 QVLPBWIRRLLRCR-SFHVURJKSA-N 438.557 2.364 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1690749643 KVDQWAXHFXWQTD-UHFFFAOYSA-N 434.610 2.014 30 10 IEEE Cc1coc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1693304818 FBLCMZHSBYXQQL-UHFFFAOYSA-N 434.500 2.370 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1(=O)=O 1694087771 XRSGZYIWPADAEP-WMLDXEAASA-N 444.561 2.294 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1696898378 LFFOWHTWWUPENV-QFIPXVFZSA-N 432.569 2.221 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705516354 ZDVXEGCYQSIIIF-FQEVSTJZSA-N 434.544 2.385 30 10 IEEE C#CCCCn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@]1(OCC)CCOC1 1705539557 VFQBEXWAURDXOI-NRFANRHFSA-N 430.578 2.435 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCCC1 1705545107 PDGNCEAVXJRHSX-UHFFFAOYSA-N 444.605 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1705595832 ICWXBVDIDFTWSQ-PXNSSMCTSA-N 446.511 2.108 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1705611891 RQSASVASMFVDMA-OAHLLOKOSA-N 449.296 2.342 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(C)c1C 1705622301 DSGLOINOFAWXCY-UHFFFAOYSA-N 432.326 2.212 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705629049 WCXABXWZOJXJJV-OAHLLOKOSA-N 443.495 2.028 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705799839 HRMWNGMUZVRRFX-UHFFFAOYSA-N 428.585 2.218 30 10 IEEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705810342 VPAHUCAYATXBPU-AVRDEDQJSA-N 432.569 2.231 30 10 IEEE CC(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1706482599 VQWQIUGVKPJVOX-MRXNPFEDSA-N 432.550 2.061 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1710053938 DHKCEYNYUSMGME-LJQANCHMSA-N 444.605 2.420 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1722274849 AHIXPFRTNNAXAR-MSOLQXFVSA-N 444.605 2.385 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCC)c1 1722284973 RHYLJBWDRJQEEK-INIZCTEOSA-N 431.500 2.181 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1722359747 PXQUJICYWPEHKF-IAGOWNOFSA-N 440.928 2.210 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccsc1 1722387110 GLDXNRBTQWAKKM-QFIPXVFZSA-N 434.525 2.358 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1722425261 SGKZZLWBODSUBF-KRWDZBQOSA-N 441.557 2.480 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCN1CCC 1722447431 NBXFZHGVUCQIBR-SFHVURJKSA-N 442.564 2.356 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1722454120 JDGGQOXIVSNFMW-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1722462243 ZAKWDOLVNVJOPF-UHFFFAOYSA-N 427.574 2.303 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722482213 GGEDFXLQPVDGNT-ZIAGYGMSSA-N 428.331 2.406 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1722518164 WAQIBRQZTBTVSJ-VQTJNVASSA-N 441.580 2.394 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CC1 1722633745 WWZMQJVREPBEAD-LJAQVGFWSA-N 436.607 2.080 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCNS(C)(=O)=O 1722659887 GIZASLNEAISCSQ-GOSISDBHSA-N 437.541 2.401 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCCN2c2cnn(C)c2)c1 1740561285 AFMKHZGVMYZNFB-HXUWFJFHSA-N 432.532 2.045 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc(C)nc(N2CCCC2)c1 1740644943 ZYHIDXHAVNVLGE-UHFFFAOYSA-N 433.560 2.231 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740667782 QAQBYBHCQVZMIQ-FQEVSTJZSA-N 433.516 2.304 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740672898 YZNLZEMNTYQPHS-UHFFFAOYSA-N 444.587 2.309 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@H](C)C1 1740680603 IJPALDWUPWRBLM-QZTJIDSGSA-N 446.573 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740683904 QYYGBDGBOWQTFJ-UHFFFAOYSA-N 445.531 2.010 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2Cc2cnn(C)c2)n1 1740687501 GXGBBVJBIYIHLC-UHFFFAOYSA-N 434.504 2.111 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)N(C)C)CC1 1740701716 BKMNQDBAMLBMOH-GOSISDBHSA-N 426.565 2.437 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1740724477 DHOZWLFSWYLWPY-FRIZHTMISA-N 436.607 2.449 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1740914284 OIKLWHWPSOLLRZ-IBGZPJMESA-N 447.561 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C1CC1 1740990972 LECAXHQKAKPEGX-UHFFFAOYSA-N 428.518 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](COCC)C1 1740992601 RKUWLMCFMPMAEQ-ROUUACIJSA-N 426.583 2.026 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccco1)N(C)C 1741132506 ZHNGVTURYVPLRU-HOCLYGCPSA-N 425.493 2.498 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1741793023 SFWGTGJPTXEPEH-PXWUZIAUSA-N 426.477 2.446 30 10 IEEE CCC[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1745247226 LBDGLGCULFLDJV-JHBCHSCWSA-N 440.552 2.291 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1747617344 CZZKTUWICHWNOZ-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1747811430 YCAZDHXUTGRWHR-UHFFFAOYSA-N 447.455 2.263 30 10 IEEE Cn1cnc(Cn2c(-c3ccccc3Br)nnc2N2CC[C@@](F)(C#N)C2)n1 1748038699 OQIJHPOUDCTNCO-QGZVFWFLSA-N 431.273 2.326 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN(C(C)=O)C1 1748774196 WLPYPTRTZPVPOA-HNNXBMFYSA-N 433.354 2.374 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818229 XTWZZDBCPSFVDP-SFTDATJTSA-N 441.601 2.132 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748823895 DVTKDSNOJUZGDJ-HZQWVYJSSA-N 426.542 2.470 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749209388 WAFBJIXAXXPPNS-XMSQKQJNSA-N 432.569 2.089 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749398679 NVCYLOVKUSQXOA-SFHVURJKSA-N 429.569 2.312 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749677959 QIMSRWYQJVHIRP-QUCCMNQESA-N 425.533 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1749721966 XQXXSPVXEDZYJR-QGZVFWFLSA-N 447.561 2.358 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(CC(F)(F)F)C1 1760206531 CPARIDNXAXBAID-SFHVURJKSA-N 433.482 2.097 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccnn1C)C1CC1 1760517188 FZADTLTZUXHMJO-UHFFFAOYSA-N 436.476 2.058 30 10 IEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1761318507 FNZZTTLWBKTDCQ-OAQYLSRUSA-N 429.546 2.257 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1761619429 DGGDMUPCBYDVIL-UHFFFAOYSA-N 443.529 2.416 30 10 IEEE Cc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCOCCS(C)(=O)=O 1762055102 PBWROZVXXCSALB-UHFFFAOYSA-N 431.562 2.445 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1764449287 YEBAMCYNRQKFJB-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1766540942 SYPWFELOKCLJDT-ROUUACIJSA-N 427.461 2.269 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 1767063394 DMONGVYRTOPPIY-LJQANCHMSA-N 438.532 2.310 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1768908476 JUFSPURQOWMKAS-LJQANCHMSA-N 445.545 2.292 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1770666677 ACCPNYYAKMCNOY-ZYSHUDEJSA-N 447.923 2.291 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@H](N3CC[C@H](Oc4ccc(Cl)cn4)C3)C2=O)ccn1 1855102894 MMPXLURQZUCWER-ROUUACIJSA-N 425.876 2.286 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3c(F)cccc3Cl)C2=O)CC1 1857072783 IODCJOFNIXUIQC-KRWDZBQOSA-N 427.867 2.309 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccccc1[N+](=O)[O-] 1864935109 SXNCJACJTZHYFB-SFHVURJKSA-N 432.440 2.481 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560576 DTKDXVCTSOMNDI-IRXDYDNUSA-N 441.532 2.210 30 10 IEEE O=C(CSc1nncn1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)NC1CCCCC1 1874538485 HSLAPMPRUHTDFL-UFFVCSGVSA-N 446.489 2.381 30 10 IEEE CN(CC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1)Cc1ccccc1 1889438830 JIUQLPFYQCRXNG-RPWUZVMVSA-N 448.592 2.481 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1896122478 PSPOYXUFGFBNAE-BZUAXINKSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900467761 UQSMEYGBQPVOEJ-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 1902435740 OKKPVGLPRASZDT-MOPGFXCFSA-N 436.574 2.395 30 10 IEEE C=CCN(CC(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2009884237 BYCIDBYEHAMPGL-NRFANRHFSA-N 441.525 2.380 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060639858 MUXBDWUKPWGTON-RDJZCZTQSA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@H](O)C1(C)C 2073264281 RTEYBQMSMBJYTL-JXQFQVJHSA-N 442.560 2.277 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[nH][nH]1 2124544065 ZTZQJXPSKWJGAB-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE Cc1cc(C#CCO)cc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2145919730 GHFPYEVQVYOVLK-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N1C[C@@H]2CCO[C@]2(C#N)C1)Cc1ccccc1 2216012113 OZEQZZMMSIVXRG-WMZHIEFXSA-N 428.533 2.154 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCC#CCCO 2229099966 SQFBQVVCZIRWTP-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)C1 2247543799 CUGHSYAZDCWZRC-HOKUHMFPSA-N 439.553 2.027 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255627363 RNPBMQOUVRCLJM-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255827516 YEMJUAWORVMZQD-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)N(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2255844590 YYHZUKJOEWHMFR-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(N)=O)CC1 2266763906 GHHVRUOILRDBGX-UHFFFAOYSA-N 446.357 2.048 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267103762 MVVZMUUPKDDWJY-INIZCTEOSA-N 446.353 2.352 30 10 IEEE Cn1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267125528 GIAORLHWDFRDNV-UHFFFAOYSA-N 448.373 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267144515 XLPGVCIHLKEBTQ-CBBWQLFWSA-N 446.357 2.131 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267199280 JXQAELVHHWEKSQ-XUJVJEKNSA-N 444.259 2.496 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267218371 UKPIBIXPQXNFMU-UHFFFAOYSA-N 446.357 2.201 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267264921 YATZCZGCPNBRDX-SZMVWBNQSA-N 443.353 2.366 30 10 IEEE CCN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267272992 GWXARDBMVKJPLW-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@]1(C)CNC(=O)OC(C)(C)C 2267520254 MQCIVQWVDDXUTC-FPTDNZKUSA-N 448.373 2.332 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548089 DJHXCKANIHIHDJ-CABCVRRESA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCCOC1 2268716808 HIERFIKUSUZZDW-QFIPXVFZSA-N 447.341 2.393 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269042763 UXCHKODKCINSKX-BEFAXECRSA-N 440.305 2.169 30 10 IEEE Cc1nnc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)s1 2282835569 WRTJGIHUERIQSM-UHFFFAOYSA-N 435.789 2.339 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)c1 2296944958 UKNLCPFHLKURGV-LJQANCHMSA-N 442.424 2.034 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2301661179 HXYVAZWLQZCYHU-CYBMUJFWSA-N 440.371 2.317 30 10 IEEE O=C(CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(O)c(O)c1)NCc1ccco1 2330949419 OJFNILQTPFMBRZ-QGZVFWFLSA-N 443.485 2.425 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)n1C 2337283675 RCSKHUZPUNYMQR-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 33811939 QOABORNKKYOARE-OVCLIPMQSA-N 446.554 2.088 30 10 IEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2CCOCCO)c1 102556922 SBUHKBBVMCMBFF-VZCCSQPZSA-N 433.482 2.196 30 10 IEEE COc1ccccc1[C@H]1/C(=C(/O)c2ccc([N+](=O)[O-])cc2)C(=O)C(=O)N1CCOCCO 103129697 YOAIVUNEENTDDU-HQMFNGAOSA-N 442.424 2.034 30 10 IEEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)CC1 110913227 VPZVHSUTXVVPIE-HXUWFJFHSA-N 444.417 2.042 30 10 IEEE C=C[C@](C)(CO)N1CCO[C@@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1 169681291 QDAZPQLCVQVLPE-AZUAARDMSA-N 430.467 2.432 30 10 IEEE COc1cc(/C=N\Nc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)cc(OC)c1O 169897439 BDGGFJXIDVMBJR-MSXFZWOLSA-N 435.484 2.497 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 426358495 AHPGGLGMNIHAPE-LJQANCHMSA-N 444.944 2.323 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCn2nnc(Cc3cccc(Br)c3)n2)c1 432759111 QOHUSNWUCFJZBG-UHFFFAOYSA-N 432.303 2.372 30 10 IEEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)o1 442147346 CYOGABHPKHBCPZ-KXBFYZLASA-N 432.484 3.038 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cn1 462085919 CRLSBTIRNLBNKM-HOJAQTOUSA-N 427.468 2.417 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(-c3c(OC)ccc4ccccc34)no2)C1=O 479760890 VDLBMUSCFKFUKT-UHFFFAOYSA-N 448.435 2.096 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccnn3[C@H]3CCS(=O)(=O)C3)CC2)cc1 482773668 RDWILWSFEGLULM-INIZCTEOSA-N 429.502 2.190 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCCN(c3ccccc3F)C2=O)CC1 488532982 XTFOXPACEYPDCC-FQEVSTJZSA-N 442.516 2.199 30 10 IEEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503014272 DYNAPMRMOVSIHI-QFIPXVFZSA-N 431.489 2.368 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 504092444 NQNBXRJCNBFWAY-OAQYLSRUSA-N 437.562 2.392 30 10 IEEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O[N+](=O)[O-])CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504231795 LURMPNRKWFDKMB-LVRCVRTGSA-N 449.500 2.114 30 10 IEEE COc1cccc(N2C[C@@H](NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2=O)c1 506121298 XXLWVPSGGUSFFU-KRWDZBQOSA-N 432.484 2.081 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 508730015 LYQQDOYXFHCDTB-UHFFFAOYSA-N 445.593 2.260 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1c1ccc(Cl)cc1 509149328 FKJRDRKHASKXSG-NQIIRXRSSA-N 438.919 2.410 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(F)c1 518910008 SQQHAQGVBVJWGZ-KRWDZBQOSA-N 441.419 2.152 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c1 523652443 XOBGXFRJXUFZDN-IBGZPJMESA-N 438.549 2.360 30 10 IEEE CCN(C1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1)S(C)(=O)=O 532714014 CPRZGJDBZUPCPN-KRWDZBQOSA-N 436.578 2.076 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCN(c3cccnc3)C2=O)c1 542243361 QSAYUFSXNAQURN-INIZCTEOSA-N 435.303 2.190 30 10 IEEE Cc1cccc([C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)N2CCOCC2)c1 544840158 PJHFDHKFTJMHSA-QFIPXVFZSA-N 434.544 2.167 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H]3c3cc[nH]n3)nnc12 552545593 VRUXVXGHEOVGMR-KRWDZBQOSA-N 435.513 2.409 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 553143508 MYVUALVROLZLHY-LLVKDONJSA-N 445.335 2.180 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 564536792 VFJZSUUTUGGYFJ-UHFFFAOYSA-N 428.558 2.451 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707981 KAJSPZDUHIYAFA-OXQOHEQNSA-N 437.544 2.004 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 734974412 HGZPZDOAUAXQOE-UHFFFAOYSA-N 426.454 2.071 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)CCN1C1CC1 737199303 UKDIARDQUMLTSV-QGZVFWFLSA-N 443.935 2.103 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744029748 UZIRNCOHLNMNDO-FAJAVTLNSA-N 437.496 2.011 30 10 IEEE O=C(NCC#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)OCC1c2ccccc2-c2ccccc21 757523367 RVTRWECWECQYGT-NPHXMPSESA-N 430.460 2.318 30 10 IEEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763723035 NFFYLVTWBHGDAJ-LJQANCHMSA-N 434.456 2.409 30 10 IEEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 774048443 NIUYYKVLNJOMRI-KRWDZBQOSA-N 426.560 2.054 30 10 IEEE C#CCN(C(=O)N[C@H]1CSc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 787395786 LTTBEEAHNAYYRR-JSGCOSHPSA-N 429.361 2.428 30 10 IEEE Cc1cc(C)cc(OC[C@@H]2CN(CN3CCN(c4c(C#N)c(C)nn4C)CC3)C(=O)O2)c1 788044251 LPTADGKSHNZIBS-FQEVSTJZSA-N 438.532 2.196 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 788695196 GTAXMBJMOQFZNJ-UHFFFAOYSA-N 426.882 2.224 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 794112754 ZWZLLOCMLDWAAD-AWEZNQCLSA-N 443.529 2.308 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccn(C4CCCCC4)n3)CC2)o1 795755611 OITCKVQKXAVODK-UHFFFAOYSA-N 426.477 2.062 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ncnn2C(C)(C)C)C1=O 799861975 NJMXUXUCRVWCKT-OAHLLOKOSA-N 425.518 2.173 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)/C=C/c2ccccc2F)c1 799919286 DHTZRDBJWKQQMJ-XNTDXEJSSA-N 428.485 2.473 30 10 IEEE COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)(C#N)CC1 802436171 BUOQGLJJOSBQPW-UHFFFAOYSA-N 431.566 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)c2cc(C#N)ccn2)C(F)(F)F)CC1 807486764 WGRSZVZGHQMMTD-HNNXBMFYSA-N 427.427 2.167 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCCC2(F)F)cn1 807935870 HXCOJDZUIXAYEX-GJZGRUSLSA-N 442.536 2.090 30 10 IEEE C#CC[C@]1(C(=O)NCC2CCC(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1133809041 WGJIYVCFJVPYSS-MYKUNDNFSA-N 426.579 2.499 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 1136313241 JBDKLFPHBQXUQO-HOCLYGCPSA-N 437.338 2.492 30 10 IEEE CN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)[C@H]1CCC[C@H]1C#N 1175250367 RWULRKVGUMZEOV-ICSRJNTNSA-N 430.574 2.374 30 10 IEEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 1248513262 CHLAXAHFVNAKDT-BDAKNGLRSA-N 429.308 2.178 30 10 IEEE Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)NCc3nc(C#N)cs3)C2)cn1 1251296301 RTQQPLAMZQEHQU-UONOGXRCSA-N 430.534 2.405 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1286274459 NYNYSLFBCLHQLN-SJORKVTESA-N 445.589 2.477 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286339289 LZZJSMJEXFTVJH-UHFFFAOYSA-N 440.573 2.480 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286345211 XTIDXYFBMHSHCW-GOSISDBHSA-N 436.560 2.156 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(C)c1 1286452674 QMVBTAFMTGOEOD-PMACEKPBSA-N 425.533 2.200 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286712038 XHNMUHYPFDARRO-INIZCTEOSA-N 429.525 2.431 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(C)CN(C)C1=O 1286765334 OTEKMSGPFXCLHN-QHCPKHFHSA-N 435.532 2.452 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCC[C@H](C)C2)n1 1290645556 BFWYXUZXKLQRPQ-PXNSSMCTSA-N 440.596 2.379 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)CCCOC 1291524563 OURXGPKWJWDXEE-INIZCTEOSA-N 427.553 2.295 30 10 IEEE CCOCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297222526 BHPJHGKBFCNVTA-QBNCKDSPSA-N 446.552 2.125 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C#N)CC1 1299542176 KONGLIFYKXKSSW-INIZCTEOSA-N 448.487 2.481 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)c1 1299930180 KBDZLPOJFIJOGE-RDTXWAMCSA-N 426.521 2.473 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300502377 SDRKPGKRCJSUNX-SFHVURJKSA-N 431.562 2.291 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1300644381 UELKNWXWLMXZEU-KRWDZBQOSA-N 430.553 2.336 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301148497 PNFMXMFCRYYOJD-UXHICEINSA-N 443.640 2.436 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301458510 UCRRJSLQTRXKJB-UHFFFAOYSA-N 430.503 2.078 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCC)C1 1301536229 SHHDMTVRXCYBAR-SFHVURJKSA-N 426.521 2.137 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1301596766 XYLCQOINIXYEOX-QFIPXVFZSA-N 446.573 2.440 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1302148882 WEKVYHOKHPDAPH-NRFANRHFSA-N 435.532 2.425 30 10 IEEE C#CC[C@]1(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1302744113 AOQFKIYSPSVLMP-RBUKOAKNSA-N 431.455 2.449 30 10 IEEE CCCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1306768364 SJYMTRXGQCPUAH-IEBWSBKVSA-N 440.552 2.323 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCOC(C)(C)C)c1 1358901945 AWXSXCCUFKCYHA-GOSISDBHSA-N 438.532 2.101 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358964887 JMDQNMDXVKLUEP-PKOBYXMFSA-N 446.548 2.061 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1ccc2c(c1)OCCO2 1359024506 ONUJYYQIGXPGTH-IBGZPJMESA-N 426.517 2.272 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCC2CC2)CC1 1359039264 BHEDJAJLBHWJCD-UHFFFAOYSA-N 438.601 2.160 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC1 1359039373 GGEXSZHUBSFLPR-UHFFFAOYSA-N 437.523 2.251 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1359113469 JNTGOXLJJKKBJK-KRWDZBQOSA-N 439.607 2.318 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1359125978 ASUJCZURHVFRNM-UHFFFAOYSA-N 428.537 2.041 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1359134928 LVQZTFHNIAMVPG-GOSISDBHSA-N 427.505 2.111 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359166646 BERWHUDSUSYZGM-LJQANCHMSA-N 445.589 2.458 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)COC)C1 1359319442 ZOTNGDUJIFOQQG-DLBZAZTESA-N 438.532 2.256 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)OCCCn1nc2ccccn2c1=O 1435230468 ILTRKNIQUXGQBB-UHFFFAOYSA-N 431.246 2.142 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 1446930457 RXKRKFZQGOCVLB-OKZBNKHCSA-N 435.590 2.395 30 10 IEEE Cn1cc([C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2(C)C)cn1 1450239962 TVZWEBAMYJWXJS-RBUKOAKNSA-N 434.500 2.149 30 10 IEEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1472364543 WKEILEBCKKIFKX-KCQSEKJDSA-N 437.515 2.300 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3cccc(C(C)(C)O)c3)CC2)c1C#N 1492728259 YHZLGZPYURZPJC-UHFFFAOYSA-N 434.548 2.102 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C 1502251264 IECQQSRXYSTECI-IAGOWNOFSA-N 442.589 2.313 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1507515196 GKMQRJFIVNIQOP-JKSUJKDBSA-N 428.562 2.379 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1507548645 VQTRCKJJUHNNKC-PNYFIKQUSA-N 431.581 2.150 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1507564014 LMTLRNOLDLZRMB-AWEZNQCLSA-N 427.368 2.473 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1507593212 XMQFRJCTOCOAPA-LJQANCHMSA-N 443.573 2.096 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCN(CC)C1 1507620394 DRTDDVQOEVPFME-JOCHJYFZSA-N 435.620 2.054 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)N1CCOCC1 1507678264 UPVKBEPVLAFZOF-KRWDZBQOSA-N 430.578 2.011 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1508124007 NVXOUIUWZCODQE-SJLPKXTDSA-N 428.512 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508134767 HLSNAVKKMGULSB-MOPGFXCFSA-N 446.573 2.417 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1508166591 BNSJBKCCORXLBJ-UWJYYQICSA-N 435.594 2.094 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1508432080 HSRZJXGCBPJZJT-IKGGRYGDSA-N 434.541 2.361 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1509792135 TZKGUZHCNGTVBO-DZFGPLHGSA-N 436.626 2.494 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1512424576 IOAHTUFIWIJTSB-APFMSCDFSA-N 440.479 2.226 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)OC 1514337543 HFKKYCGMYQDXEP-MISYRCLQSA-N 438.532 2.259 30 10 IEEE COCC1=CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1518816803 DUQZCUFVRRTVBK-LSDHQDQOSA-N 434.500 2.254 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1519111574 ZLLPNDQLRLCVCY-HXUWFJFHSA-N 434.548 2.122 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1521143061 CSUPVASAJHKKTC-LJQANCHMSA-N 430.553 2.193 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)cc1 1530557701 XCJWYWWSIZINFW-RTBURBONSA-N 444.532 2.499 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 1536215692 CJQLDNUMAOLAFW-UHFFFAOYSA-N 425.470 2.237 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCC[C@H](C)C1 1539420117 BREILXNKXOCPOE-FQEVSTJZSA-N 435.576 2.335 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN(C)c2ccccc2F)CC1 1539446094 QFRQDFXYOLPKLB-UHFFFAOYSA-N 434.523 2.156 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(C)cc2)CC1 1539477505 OZILQXGINIZJQM-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOCC(=C)C)CC1 1539484656 XVDJAXDFEFXTMD-UHFFFAOYSA-N 442.589 2.192 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539505551 LBKAEBVCNUECRF-GOSISDBHSA-N 447.630 2.386 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)(C)C)CC1 1539510697 NCIYDCQMNKNGAM-UHFFFAOYSA-N 430.578 2.293 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1539531160 RXGBYNXCBJZASB-IBGZPJMESA-N 439.585 2.066 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 1540479802 BNTDYCQPVNQEED-MRXNPFEDSA-N 445.969 2.388 30 10 IEEE N#Cc1c(CCCNC(=O)c2cncc(N3CCCC3=O)c2)nn(-c2ccc(F)cc2)c1N 1540747033 OHMAWPOYRKMMPJ-UHFFFAOYSA-N 447.474 2.350 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](CC)C1 1540904226 KDZWZULTTQFQIQ-PKOBYXMFSA-N 448.589 2.482 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1542361113 XXALELFMZONNSQ-UHFFFAOYSA-N 435.333 2.287 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CC(F)(F)CO3)CC2)c1C#N 1543001677 YVIKCTXCGKTXHY-HNNXBMFYSA-N 434.495 2.066 30 10 IEEE C[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@H]1NC(=O)OC(C)(C)C 1544451842 YPDVUCBOZULQHU-SUMWQHHRSA-N 439.509 2.498 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2nc(N(C)C)no2)c1 1544608618 SKBMILVKEFUCIM-JJIBRWJFSA-N 448.549 2.300 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC(O)CC1 1545460454 AQTKTOOPBTYQHS-MRXNPFEDSA-N 439.564 2.173 30 10 IEEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@H]1CC[C@@H](C)C1 1555532032 DHWSUCMRAWTRQI-APWZRJJASA-N 446.577 2.007 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1555632497 KHFSRSXEBQIJAR-IBGZPJMESA-N 447.628 2.158 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCCCN1CCO 1556714711 OORFIPMYITVAPX-OAHLLOKOSA-N 440.338 2.061 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 1557341568 WHCDRGKTCRZYJI-VFNWGFHPSA-N 447.944 2.389 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 1557428024 BYPCDAPFEFCOQH-VQTJNVASSA-N 430.549 2.457 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCc2ccc([N+](=O)[O-])cc21 1557580960 RKIIAKNONFXCGC-UHFFFAOYSA-N 428.470 2.393 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)C1 1558329421 PVVSZIKPICXTDA-HXUWFJFHSA-N 433.512 2.324 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@H](CC#N)C3)cc2)C[C@@H](C)O1 1559991786 GXIJUNCQFSIJAF-KZNAEPCWSA-N 434.562 2.049 30 10 IEEE C=CCC1(NC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CCOCC1 1562774025 GNZZRFNTAZBRMZ-MRXNPFEDSA-N 433.505 2.241 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(CF)CCOCC1 1569212149 BWSUQWCKSQXZAL-UHFFFAOYSA-N 425.526 2.168 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1587872521 LEPJETZBYXLABN-UHFFFAOYSA-N 432.528 2.142 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1587894434 SZESURFCLDYUTN-UHFFFAOYSA-N 443.573 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1588144053 RLPXXWGTFNSKCP-UHFFFAOYSA-N 425.964 2.442 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nncn2CC)CC1 1588742261 POKPTIYBCOOSRT-FQEVSTJZSA-N 448.575 2.450 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCCN(C)C)CC1 1588801087 UQIAXJCWXNYAKY-UHFFFAOYSA-N 445.571 2.084 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CC=CCC2)CC1 1588865384 WJEUCHUDBKSZFX-UHFFFAOYSA-N 434.588 2.491 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1593746843 OINBBLJNQQBMHQ-RTBURBONSA-N 448.593 2.119 30 10 IEEE CC(=O)NCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1596695801 HBODPDBLOFOLMI-YOEHRIQHSA-N 428.562 2.386 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC34CN(C(=O)OC(C)(C)C)C4)n[nH]2)c1C 1607741994 BNSDWJBGXQGEPT-UHFFFAOYSA-N 442.520 2.495 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1608380058 AONHWQHMCPIIQL-UHFFFAOYSA-N 433.520 2.380 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1612120050 KIMBNMZAJGQENF-NFFVOIMASA-N 449.515 2.430 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1612917712 OFVDJIJODDYSRW-KNQAVFIVSA-N 437.592 2.314 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1617448135 VITMTUOGMKXGCS-KKIUXKEOSA-N 446.552 2.236 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1617698393 ZUOLLYJDZHOXHB-HXUWFJFHSA-N 448.575 2.197 30 10 IEEE COCCCN(C)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619836757 MMTHEYZTKNMVCG-BDTNDASRSA-N 438.576 2.494 30 10 IEEE C=CCC1(CNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CCCC1 1623246810 BQAZTXGMXXFJLT-UHFFFAOYSA-N 427.505 2.438 30 10 IEEE Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cn1C 1625923501 GEZUFMLVIYVQCX-UHFFFAOYSA-N 440.485 2.095 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)C1 1631335192 BIBKQDVTHIFVGB-LJQANCHMSA-N 436.512 2.413 30 10 IEEE Cc1ccc(C(=O)N[C@@](C)(CO)Cc2ccc(Cl)cc2)cc1S(=O)(=O)NCC#N 1632451235 RLDWZZOHIRGBAS-HXUWFJFHSA-N 435.933 2.174 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 1636475629 QIDRYDPYUFVCAK-UHFFFAOYSA-N 432.354 2.434 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641858245 UDLWRFQTIMHABL-CQSZACIVSA-N 441.431 2.439 30 10 IEEE C[C@](CO)(c1ccc(Br)cc1)N1CCN(c2cnc(C#N)c(C#N)n2)CC1 1643302469 ZRWDXANUSYZNOM-IBGZPJMESA-N 427.306 2.012 30 10 IEEE COC(=O)[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1644661466 IJHMRXNZFSWVAZ-SFHVURJKSA-N 442.516 2.229 30 10 IEEE Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)oc2c(C)cc(Br)cc12 1646147402 HALFGXORMIQUDW-UHFFFAOYSA-N 431.246 2.376 30 10 IEEE COC(=O)c1cc(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)cc(C(=O)OC)c1 1660389563 PJLLMKYLEPCBCO-FQEVSTJZSA-N 437.452 2.143 30 10 IEEE C=CCC1(O)CCN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CC1 1672740295 YZHFDRQJULEMAN-UHFFFAOYSA-N 442.604 2.470 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)cc1 1673397862 CFMBQTPNLLQPSS-IBGZPJMESA-N 437.562 2.182 30 10 IEEE CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1686055662 MDLVSAFYSXUWOO-ZWKOTPCHSA-N 437.585 2.278 30 10 IEEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cc(F)c(Br)cc1F 1687092593 CFYWZMUVDIDKQA-PUTJDCORSA-N 448.289 2.368 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(=O)OC)CC1 1689856291 NKPJEBGHCOVTMX-KRWDZBQOSA-N 435.532 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(OC)C2CC2)CC1 1690144361 WFFWSLUERHNJSB-WMZHIEFXSA-N 429.565 2.301 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690247063 ZJGTZJAWVXPORG-IEBWSBKVSA-N 437.610 2.435 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690308779 ZODNXUJTNNTUHF-HXUWFJFHSA-N 427.597 2.093 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(OC)ccc2OC)CC1 1690396907 PISGHORZDQSCNO-HNNXBMFYSA-N 449.577 2.356 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1690611532 PLEHMLLBVSDSEQ-XSLAGTTESA-N 427.549 2.022 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC)nc2)cc1 1697407486 GDMFVVLQFAZFOA-HXUWFJFHSA-N 434.500 2.253 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCOC(F)(F)F)cc1 1698489061 WMMJZBFJXGTYKV-KRWDZBQOSA-N 436.438 2.264 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1705567273 VGXGFMYNTRVTKB-AWEZNQCLSA-N 429.384 2.402 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCC(C)CC1 1705622043 VZUMSEVULNWODG-LJQANCHMSA-N 439.564 2.132 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnccn2)CC1 1705662858 NVYRSMZDZQPMOS-UHFFFAOYSA-N 440.602 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705936209 LUNQOUQETBMDPG-OALUTQOASA-N 448.593 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 1705937407 SNQZFMCRHCDBDB-JOCHJYFZSA-N 430.574 2.281 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1706072247 ARDDAAGJCGTITF-OAHLLOKOSA-N 430.534 2.083 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@@H]1C 1706743632 CPIPHSFPXKLGPN-VFVRVIDISA-N 437.342 2.324 30 10 IEEE CC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709266151 ODISDCFNFGTGES-OVGZCAFISA-N 428.537 2.325 30 10 IEEE CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1710878049 GLVYLKFOWBEXEZ-UHFFFAOYSA-N 430.578 2.110 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)C1 1712691854 FUTSGYZINBDFRG-INIZCTEOSA-N 439.488 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1722306128 OGIMIEDYTNEKMX-NRVIRDBHSA-N 433.553 2.312 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722314789 QEDVCYXVXVOGBD-UHFFFAOYSA-N 440.573 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CCCCC1 1722383734 WUKDCVZTZKXPQF-UHFFFAOYSA-N 432.572 2.372 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H](OC)C1 1722509489 PJLZZPYEEUHHFF-VHPHOLNESA-N 438.594 2.023 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1)C1CC1 1722643895 FSWQQUPJTADJCF-LJQANCHMSA-N 439.564 2.437 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1722677103 UDPPDXKHJMHQFR-GOSISDBHSA-N 449.577 2.239 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722813977 IDOYISZTBFOIAZ-IRLDBZIGSA-N 449.559 2.180 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCCC2=O)CCOC1 1722865162 YZAFTZSWBWTZGU-PGRDOPGGSA-N 432.569 2.317 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1724180789 JHMXCDLKQXHSPI-UHFFFAOYSA-N 443.529 2.468 30 10 IEEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C 1727278498 CLPOQWVHRUXWAE-HOTGVXAUSA-N 433.557 2.442 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1727279817 BYTICDVPKCSULN-PZJWPPBQSA-N 435.532 2.332 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@H](C)O1 1727800231 GFFHGLPGIDHYSF-FXAWDEMLSA-N 438.532 2.069 30 10 IEEE CCCNC(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@@]1(OC(C)C)CCOC1 1728208865 XTHCWZKPERCKLN-HSZRJFAPSA-N 440.548 2.353 30 10 IEEE CCNC(=O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)cc1 1728657959 AULHWCMGQHRYIC-MRXNPFEDSA-N 446.515 2.319 30 10 IEEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCCC1 1728832208 BTQYPMZJXAGDSI-UHFFFAOYSA-N 438.532 2.404 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(OCC)n3)CC2)n1Cc1ccc(C#N)o1 1729071848 YTLHADOVHYHHHE-UHFFFAOYSA-N 437.504 2.448 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC=CO1 1729567058 RYQFOLBKOYIDIT-CABCVRRESA-N 433.310 2.468 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCc2cn[nH]c2)c1 1740562201 MCVYFSQUCOPMKE-UHFFFAOYSA-N 428.500 2.306 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1740595896 MBKUMKGWUCSRBY-UHFFFAOYSA-N 444.967 2.182 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1740691640 LCPQRFYGRRFJFM-BGYRXZFFSA-N 426.565 2.101 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740695931 HQNBHPZRRPSJDB-OALUTQOASA-N 446.596 2.040 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1740722304 GLXNGLRZULEENG-KNQAVFIVSA-N 433.622 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@@](C)=O)cc1 1740723353 OAWRUYBMAYMMAI-YKGWIAGDSA-N 427.574 2.335 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740791300 AZBCMENUWVZICX-GOSISDBHSA-N 427.553 2.017 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1740882028 XSIYSTXWBMICKM-QFIPXVFZSA-N 434.585 2.480 30 10 IEEE CC(C)(C)O[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1741232917 DUERWWCIWGYJBR-SFHVURJKSA-N 446.577 2.150 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cs1 1742576996 ARCFPBDZPQSCHE-QGZVFWFLSA-N 438.554 2.043 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC1CC1 1748668852 QSMNYHLMMNXEGT-INIZCTEOSA-N 444.580 2.377 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1748730078 DMAARCDQKFNYGM-QGZVFWFLSA-N 431.562 2.430 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C(C)C 1748789762 CCYDRTMBVOXJIK-UHFFFAOYSA-N 432.569 2.234 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748812579 XBOVDBGYFHVJGB-RCCFBDPRSA-N 431.562 2.105 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)c(OC)c2)CC1 1749008576 DECGCJANCSUSFH-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1749120147 AZGXWSYQQZLRLC-HQRMLTQVSA-N 445.568 2.370 30 10 IEEE C=C(Cl)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749281875 NMQCJUJOTDNUFR-LJQANCHMSA-N 447.001 2.475 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC 1749600078 PRMMXESKPZSTCA-SFHVURJKSA-N 434.562 2.184 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749646753 YRJDMEYRXXQLRO-QWFCFKBJSA-N 432.613 2.419 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1 1749677764 JZYCXQSZJZNEFC-CYBMUJFWSA-N 438.504 2.053 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1749731028 ZGAASPGIOGBWSO-IBGZPJMESA-N 441.557 2.322 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749740729 JBSFSYQOBPJCKI-NRFANRHFSA-N 435.594 2.208 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1750070212 RDEOXZWQCSUDGA-HNNXBMFYSA-N 449.515 2.352 30 10 IEEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCCO 1750641615 GWHDADDANWINTP-UHFFFAOYSA-N 426.565 2.384 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760119473 ACKVODSLMXUSLC-AQNXPRMDSA-N 435.576 2.474 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1760184646 XUBSOOYOVHPPFE-HNNXBMFYSA-N 442.488 2.145 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc(C(C)(C)C)s1 1760208373 QSVSNWIPIWBUSE-RDJZCZTQSA-N 428.562 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H]2CC)CC1 1760265114 OCOMFBGVTZXNCF-PKOBYXMFSA-N 428.581 2.208 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1760314335 VHYIXQMTNVBKMW-YOEHRIQHSA-N 435.960 2.421 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760435470 KYKNUSRKSVIBEC-NRFANRHFSA-N 441.624 2.481 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N(C)CC)C1 1760537939 UPRLAQBGKLJAEP-KRWDZBQOSA-N 429.521 2.222 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)C1 1760545246 QGAKJTBIFDMUNR-SFHVURJKSA-N 425.537 2.309 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1765432891 CIDKYPAZQSBGRO-HOTGVXAUSA-N 448.369 2.259 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1766931902 DIOOMXHXWGTNNV-OAQYLSRUSA-N 447.543 2.448 30 10 IEEE CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1767112024 NNXMJAWABSAZHX-LSDHQDQOSA-N 445.483 2.209 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)C1 1767625730 GLAYTOITIXBSDY-HSZRJFAPSA-N 449.515 2.344 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1770137831 HMYCZHYXIGKUCC-SFHVURJKSA-N 439.520 2.142 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1770357326 CMZVATQCHNHDNQ-MJGOQNOKSA-N 444.561 2.047 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccccc2OC)c1-c1ccncc1)[C@@H]1CCN(C)C1=O 1850564905 VHBRGZIDQROZOJ-GOSISDBHSA-N 432.484 2.197 30 10 IEEE N#Cc1ccsc1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 1851749135 RIEGDDYVTVAANQ-UHFFFAOYSA-N 434.319 2.174 30 10 IEEE Cc1ccc([C@H]2[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC(=O)N2C)cc1 1851835608 UIDFPNLZDHFGJT-BBRMVZONSA-N 431.436 2.385 30 10 IEEE O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851946004 LSBFQHZQNFMRHH-SECBINFHSA-N 439.362 2.188 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(c3nccc(-c4noc(C(F)(F)F)n4)n3)CC2)cc1 1852144474 HJGIDQNHWDESEL-UHFFFAOYSA-N 443.389 2.308 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852534940 KDCDAMSRFSIZEL-LJQANCHMSA-N 443.548 2.408 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CNC(=O)OC(C)(C)C)sc2c1 1866033953 SMISYWOVJFLSJJ-UHFFFAOYSA-N 426.520 2.224 30 10 IEEE CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867603674 UXUUUMIWHNKILJ-MOPGFXCFSA-N 428.514 2.256 30 10 IEEE C=CCN(CC=C)C(=O)CNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 1868622991 CDLZVEDLKFZRMD-UHFFFAOYSA-N 425.938 2.200 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OCCC)c1 1874432771 WOVHTJARYBYTKB-FSJBWODESA-N 432.550 2.204 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)cs1 1889619454 QGDIPJXFGDIWGM-MRXNPFEDSA-N 437.518 2.200 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(I)cn1 1988515476 MFWPNTAZAIWYPE-LLVKDONJSA-N 430.246 2.326 30 10 IEEE C#CC[C@H](C)C(=O)Nc1c(I)ncnc1I 1991299049 YCEWRPAHAKIWRA-LURJTMIESA-N 441.010 2.284 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2009961295 GYIFDADWILZCKH-MSOLQXFVSA-N 432.521 2.275 30 10 IEEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@H]1CS(=O)(=O)C1(C)C 2172772456 NXKHQRVIZCSYLS-ZDUSSCGKSA-N 445.188 2.155 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1-c1ccc(Br)cc1I 2231656021 MOZASUGCPVCBBY-UHFFFAOYSA-N 432.015 2.485 30 10 IEEE C[C@@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2243387696 ZAWJBNPQCRVWPQ-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2244016343 XLMFUDPENJXABW-HZPDHXFCSA-N 427.542 2.027 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835124 GQEUHGQEXZYEQT-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247881431 XRQRZMDISKNNHJ-CQSZACIVSA-N 440.371 2.177 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247921745 UXGMOBXIXNBYOO-CQSZACIVSA-N 437.371 2.475 30 10 IEEE CN(CCCN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255545420 PYCULDJUQIJVIM-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255613406 CDBDOOMYAKLTAZ-CABCVRRESA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255870178 IOCPCARPAUGATI-OAHLLOKOSA-N 429.326 2.286 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2257487668 PBNXEHYWXFUZET-IYBDPMFKSA-N 431.342 2.475 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(Cc1ccccc1)C2 2267152262 MBKYSQXBFCBJNS-UUOWRZLLSA-N 436.365 2.032 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267199279 JXQAELVHHWEKSQ-TYNCELHUSA-N 444.259 2.496 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267549064 JVDAHOSFUNNAJY-CABCVRRESA-N 448.373 2.237 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550278 XHOIDTRHYILBCD-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)O 2268630730 OFTJNKCIXGOCLD-JOCHJYFZSA-N 449.357 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@@H](O)[C@H](N)C#Cc2ccc(Br)cc2)C1 2296284086 NDILYUDBWKUAPS-KBAYOESNSA-N 439.350 2.372 30 10 IEEE CCOc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 2329056614 MGWKUGUOHMEDHO-HNNXBMFYSA-N 433.534 2.073 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccncc1 2330778204 YMGUZUSEXNJWQB-UHFFFAOYSA-N 434.485 2.133 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1[N+](=O)[O-] 2331273530 MOXPXSMIQWGTTK-UHFFFAOYSA-N 444.473 2.259 30 10 IEEE C[C@H]1C[C@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1Cc1ccccc1 2337293694 GALQINAPEMMSCN-HKUYNNGSSA-N 438.381 2.454 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)cc1 21318863 FRQGGMXIIMAWTJ-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)c1 58994062 PRKPFJHHIQMAKN-AWQFTUOYSA-N 441.473 2.351 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(OC)cc3)n[nH]2)cn1 59831931 QGYBBWSFFBURKY-SSDVNMTOSA-N 440.533 2.093 30 10 IEEE C[C@H](C#N)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 70135779 LLUQXKVMXGRPKP-SNVBAGLBSA-N 437.157 2.430 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2sccc2C)[C@@H](C#N)C(=O)N3)C1 101441238 KWBPOTYSQRKVGV-MCIONIFRSA-N 441.513 2.143 30 10 IEEE COc1ccc(CN2C(=NC(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254393700 RMAZZUUXNXXLIX-XJKSGUPXSA-N 426.560 2.347 30 10 IEEE C=C1[C@H]2CC[C@@H]3[C@@]45CO[C@@](O)([C@H](OC(C)=O)[C@@H]4C(C)(C)C=CC5=O)[C@@]3(C2)[C@H]1OC(C)=O 257565520 VIZWMBLJPXPZSQ-LLKNJAIMSA-N 430.497 2.322 30 10 IEEE biogenic N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCC(F)(F)C2)CC1 409623087 XIZLYCCQHIDDHF-HNNXBMFYSA-N 426.489 2.400 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[C@H]3CCCC[C@H]3O)CC2)cc1 433264491 ZTPTYMZLGCZXKH-WIYYLYMNSA-N 433.574 2.406 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)ccc1Cl 437410492 TYVZQSCCVGVALO-CYBMUJFWSA-N 440.934 2.446 30 10 IEEE N#CC1CCC(CNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 440985084 LOQFBFYDIUDZQU-QLOJAFMTSA-N 430.524 2.472 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 443334909 NURWREPVBGEAFL-NGICGMGXSA-N 438.528 2.239 30 10 IEEE C[C@H](CCOc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 465024727 SZAVWVMUVVAGFW-GOSISDBHSA-N 427.526 2.496 30 10 IEEE COc1cc(CN2CC[C@@H](NC(=O)c3cc(C#N)c(SC)nc3O)C2)cc(OC)c1 476404452 CIKGBIQIHILHML-OAHLLOKOSA-N 428.514 2.402 30 10 IEEE N#CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 487215330 AXIRLWKQMPNUTB-YLJYHZDGSA-N 440.525 2.238 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508937134 VUPXTGIPZPDFJV-UHFFFAOYSA-N 437.504 2.177 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 523255014 BGDRGRQXCCUZKS-UONOGXRCSA-N 432.492 2.485 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cncnc2-c2ccccc2)CC1 541185618 WALRIRPXKZTSAN-UHFFFAOYSA-N 433.493 2.162 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 541492763 UFKMQTZAHAYPDJ-KRWDZBQOSA-N 443.548 2.180 30 10 IEEE COc1ccc(Br)cc1[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)O 547940893 DIBUQPWDBUSUBO-HNNXBMFYSA-N 425.260 2.434 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(C#N)cs3)CC2)cc1OCC 555092082 DFKZYLGJGMCMHR-UHFFFAOYSA-N 436.559 2.319 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 581025022 ZEXDEUDENWXLFV-HUUCEWRRSA-N 437.570 2.355 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 603987324 NFFWQONKLWOASC-UHFFFAOYSA-N 441.487 2.211 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC1 750046256 VQJLPLCXFWDSBH-LMNJBCLMSA-N 427.574 2.369 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2c(cc3cc(Cl)ccc32)C1 756796220 YSGLAZYSZNOEMP-UHFFFAOYSA-N 428.901 2.376 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758775442 WYXXWRDONHJWKZ-AAEUAGOBSA-N 430.431 2.339 30 10 IEEE COc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)c(NS(=O)(=O)C(F)F)c1 761476155 NDHOKVOKXDIJFV-UHFFFAOYSA-N 431.442 2.356 30 10 IEEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 767700670 HEKALBMFPOXWJA-AWEZNQCLSA-N 446.928 2.458 30 10 IEEE C=CC[C@@H](C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 778734503 LJIHKSMLFVHPQB-CQSZACIVSA-N 429.322 2.387 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 779953675 JBZFUPTZBUJHMU-ZTVSIKPCSA-N 439.493 2.218 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOC 794582696 YTJUKXOSLNDPTB-UHFFFAOYSA-N 443.569 2.085 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@@H]3CCOC3)c2=O)cn1 794643227 PKAVXOPWDFEHII-INIZCTEOSA-N 442.585 2.061 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)c1 803921416 ASQIVIZRYOPUKX-UHFFFAOYSA-N 427.476 2.133 30 10 IEEE Cc1nccnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 814707863 YQPLGNOJPQMPOC-IBGZPJMESA-N 434.525 2.500 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)n1 856587634 QQBOMHJRVLKHAU-KRWDZBQOSA-N 444.435 2.281 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCn2c(=O)nc(O)c3ccccc32)CC1 857840943 FSZNOEDZBKGSGP-PMFMOCITSA-N 440.500 2.355 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 917132363 OZDMDZIHSUTLKY-CYBMUJFWSA-N 440.529 2.399 30 10 IEEE CSc1ccc(CNC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1C#N 1133725890 YZAXOPVVLVGNMI-OAQYLSRUSA-N 445.566 2.351 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2I)cc1 1163705654 FJZCDKSCIYPNFA-UHFFFAOYSA-N 446.270 2.039 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CC(F)(F)OC(F)(F)C1 1178276686 CCIIPRGHZVPVOG-XFWSIPNHSA-N 432.292 2.016 30 10 IEEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 1179370670 CDVLJGRBTLMULX-UHFFFAOYSA-N 438.840 2.282 30 10 IEEE CS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2C#N)s1 1211518049 GVSFSNGZCNMKRS-UHFFFAOYSA-N 435.346 2.264 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2OCCOCC)C1 1213679355 CVMMXMIIEVNVFV-MRXNPFEDSA-N 445.379 2.240 30 10 IEEE C=CCN(Cc1cccs1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1229733565 SSSPTXYVFWWCTQ-UHFFFAOYSA-N 449.554 2.290 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)CC2)cs1 1251988271 HSOBWWROLKFSDB-SFHVURJKSA-N 445.570 2.417 30 10 IEEE CN1CCN(c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C#N)cc5)C4)n3)cn2)CC1 1254821347 WEWGTWVWNPRSTQ-GOSISDBHSA-N 429.484 2.276 30 10 IEEE CC(C)(CNC(=O)[C@]1(C#N)CCCOC1)S(=O)(=O)c1ccc(Br)cc1 1265343443 JVIKZDUENPKXNR-KRWDZBQOSA-N 429.336 2.438 30 10 IEEE C#Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])c1 1275917327 OKLIAGMHTBMFMM-UHFFFAOYSA-N 445.497 2.302 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286298181 GPDZASBFQVHGDE-JKEDJMADSA-N 445.564 2.264 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccc(OCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1286383800 OGLGADHCKFTJDM-LJQANCHMSA-N 446.573 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cc(OC)c(OC)c(OC)c1 1286438193 CVMVBPOOVYEBFS-UHFFFAOYSA-N 434.500 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccccc2C)CC1 1286490212 INTYPXKQBXBMHM-UHFFFAOYSA-N 445.527 2.088 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)C1 1286561198 AIEXCFNEYZTXRN-PGRDOPGGSA-N 425.533 2.425 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCS(=O)(=O)CC 1286566657 SLTXLUZXQONNGE-ICSRJNTNSA-N 433.578 2.116 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286622289 DQXUQWAOJXBMHB-UHFFFAOYSA-N 442.867 2.193 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286627642 LIMUZCGVRQJZET-INIZCTEOSA-N 431.884 2.217 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1286672065 GDQBJQAVEMEDPR-ZACQAIPSSA-N 425.599 2.306 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC)C1 1286709555 XNFYECFNCMBLFF-SFHVURJKSA-N 430.505 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2)C1 1286810186 YWLYSSDDSSPYDS-QZTJIDSGSA-N 441.532 2.270 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cnnn1 1291600441 PQZMITFCNGZHTJ-MRXNPFEDSA-N 438.515 2.206 30 10 IEEE CCc1nnc(N(C)CCOc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1292868146 WTEQMZDRVFWDBS-VXPUYCOJSA-N 428.468 2.021 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298309485 NCZCVHSFTGZIPL-OAHLLOKOSA-N 429.477 2.469 30 10 IEEE COc1ccc(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1300106499 DCBBEKGQHYQORY-PXNSSMCTSA-N 438.532 2.017 30 10 IEEE COCCOc1cncc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1300415128 XFVXVWOTXOFRPK-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1300493141 QVDWKVDVJIEQQR-MRXNPFEDSA-N 433.603 2.434 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300500834 DXCUCLHMOYCTBT-PGRDOPGGSA-N 446.573 2.138 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](OC)C(C)C 1300512983 PDUXWVRJIMUOQR-SFHVURJKSA-N 442.589 2.290 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N2CCCCC2)CC1 1300690411 ABWYGPXHHNNIPE-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1300758273 CFHSYYNZFTUYGS-IBGZPJMESA-N 429.546 2.257 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1 1300766864 MMISJSLRVWNWHB-UHFFFAOYSA-N 428.606 2.177 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1301397471 WODOZJODWAVHOK-IYBDPMFKSA-N 428.541 2.404 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1301499719 DUSDXDITWMWTIW-AEFFLSMTSA-N 431.924 2.316 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301959778 RVRLZXWELWVVKS-LMMKCTJWSA-N 443.577 2.140 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@]3(CCOC3)O2)CCOC1 1303475973 IBPHGYAZTRPEMO-GMQQQROESA-N 433.553 2.395 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1303642209 VJQLPIQDNMJRKK-HOCLYGCPSA-N 434.541 2.172 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCCCO 1303932405 SOMPBBIXKAWULQ-HOTGVXAUSA-N 435.525 2.402 30 10 IEEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1304586424 DGVQKPAFYNDKTN-GOSISDBHSA-N 426.546 2.255 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1305637743 URFBHDAZKMYZET-HNNXBMFYSA-N 441.536 2.441 30 10 IEEE COC(=O)C1CC2(C1)CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]2C(=O)OC(C)(C)C 1308064952 KNAJZQIKYKFPII-VUXNIYRASA-N 435.565 2.272 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C 1309856519 YBMZLFXMCHZOQM-HHHXNRCGSA-N 435.612 2.462 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315823642 GSZQZRUYSULPSW-HKUYNNGSSA-N 428.512 2.327 30 10 IEEE Cn1cc(Br)cc1-c1nnc(CC/N=C2/NS(=O)(=O)c3ccccc32)o1 1322405835 NBOUQNHUWJDLFY-UHFFFAOYSA-N 436.291 2.119 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1358886120 XVQRBRBDQMWXBM-MESBPSPMSA-N 429.484 2.411 30 10 IEEE C#CCCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1358918422 UFEBOZILERNUFQ-XMMPIXPASA-N 449.559 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(CN2CCOCC2)c1 1358998723 QGGQKRZTRBAKGC-HSZRJFAPSA-N 433.556 2.473 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359228651 JKRMDWVLMGYLDZ-UHFFFAOYSA-N 431.500 2.392 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CCC)C1 1359300420 BDYNXSVPGAPHCA-APWZRJJASA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C)=C(Br)C1 1359302888 WXVOSTANFNPMSN-UHFFFAOYSA-N 431.338 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359331735 GXAYBMOADVXXCN-SFHVURJKSA-N 437.610 2.279 30 10 IEEE CC(C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1359662328 XTWTYPNTFBCYLG-AEFFLSMTSA-N 443.552 2.101 30 10 IEEE Cn1cc(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)c(-c2ccc(C#N)cc2)n1 1447594247 IKMSDPOBKWKYGK-LVCYWYKZSA-N 438.557 2.301 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCNc2ncc(C)cc21 1454466003 HDQCUNUWYOCZIF-MRXNPFEDSA-N 427.530 2.446 30 10 IEEE C=CCCC[C@@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1)C(=O)OC 1455838645 UYGORGYASUYPBV-LJQANCHMSA-N 436.574 2.384 30 10 IEEE C=CCn1cc2ccc(NC(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2n1 1456181269 JHDJXSUBAQDRGC-UHFFFAOYSA-N 427.486 2.098 30 10 IEEE CC1(C(=O)NCCCn2ccc(O)nc2=O)CCN(c2ccc(Cl)cc2C#N)CC1 1456917252 UJTHYJMYUHYSEQ-UHFFFAOYSA-N 429.908 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@@H](CC#N)c3ccccc3)n2)CC1 1457689018 FRJFZOPDHPJEMB-INIZCTEOSA-N 425.493 2.498 30 10 IEEE N#Cc1c(CCCNC(=O)c2cccc(Cn3cncn3)c2)nn(-c2ccc(F)cc2)c1N 1464101834 PCGOFSREIJXRHE-UHFFFAOYSA-N 444.474 2.468 30 10 IEEE O=C(Cc1ccc(NC(=O)c2ccccc2I)cc1)NCC#CCO 1467502958 DSBZQSYADXRXDX-UHFFFAOYSA-N 448.260 2.198 30 10 IEEE C=CCn1cc(CNC(=O)N[C@H](CC)c2ccccc2OCC(=O)N2CCCC2)nn1 1468078353 HNSJZWCRPQEKRE-LJQANCHMSA-N 426.521 2.416 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c1 1469675324 SNXKLFZMCYPYNT-RBBKRZOGSA-N 447.457 2.450 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)s1 1472052062 YDPVCRTUHWESTA-AWEZNQCLSA-N 443.591 2.223 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNc3ncc(C#N)cc3[N+](=O)[O-])cc2)CC1 1472682524 UUNAULWWMZTSTO-UHFFFAOYSA-N 438.488 2.059 30 10 IEEE C[C@@H]1CCCN(c2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2Cl)C1 1478527963 JJQCZSXETPVZGQ-CQSZACIVSA-N 444.923 2.210 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1492492655 FRXLICPAHIPYPU-RHSMWYFYSA-N 434.566 2.180 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1495772817 GJHXXYMKCPUVDM-SXLOBPIMSA-N 439.564 2.436 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2CC(=O)NCC(F)F)cc1 1505314733 ACMVWPNAXNNIBZ-DLBZAZTESA-N 430.459 2.346 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507594866 KMBZJAMCWIFZQZ-LJQANCHMSA-N 431.924 2.265 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N[C@@H](C)CC 1507700453 QPMGHHVIMDKAKB-LPHOPBHVSA-N 440.523 2.313 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N[C@H](C)CC 1507700458 QPMGHHVIMDKAKB-VQIMIIECSA-N 440.523 2.313 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1507852545 BCVCWLFFUBHNMH-UONOGXRCSA-N 425.942 2.428 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)C1 1508125336 QSFZISWHXAEPTR-PMACEKPBSA-N 438.532 2.212 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CCO1 1508374581 GYSQBJKZABPKQZ-MOPGFXCFSA-N 426.546 2.054 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)s1 1513771072 AGXSHQQXEVRVOS-UHFFFAOYSA-N 438.561 2.047 30 10 IEEE CN(C)CCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1517028546 WIKJOXLXHXQMQN-JOCHJYFZSA-N 425.512 2.370 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)c(OC)c1 1518165387 CUXLDBKLVXDBKB-GJZGRUSLSA-N 435.431 2.115 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC[C@@H]1C 1518635865 QFDANFKVTQGSPP-SLHLXQHXSA-N 441.532 2.130 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cccc(C)c1 1519278245 PWLGHFNLBSFNLG-JTSKRJEESA-N 444.511 2.183 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccccc2Cn2ccnn2)c1 1534106661 YBJHIHZGOGKUMW-GFMRDNFCSA-N 438.513 2.392 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@]2(C)COCCO2)c1 1539037550 GNXUFLSMXAKXJT-HSZRJFAPSA-N 425.533 2.437 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1539221891 SEHJWSKGQQMWQA-KRWDZBQOSA-N 447.536 2.176 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1539382371 FEMBMRWOTGVSGA-UHFFFAOYSA-N 425.411 2.004 30 10 IEEE C=CCCO[C@@H](C)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1539544584 RRTVLHFTNFLNRD-JQHSSLGASA-N 437.537 2.399 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 1540502848 MZIAVOSLNRUCDA-UHFFFAOYSA-N 442.497 2.218 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1540863735 DDFCPWKMWPJQKG-UHFFFAOYSA-N 447.543 2.163 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1540868493 HQAMPXVRAXJHRV-IAGOWNOFSA-N 427.553 2.097 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 1540909839 QMXPIXCUJAWCOR-CABCVRRESA-N 425.580 2.394 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541606141 FHGNHQRMSJUYOD-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1541802364 OSWDLGUXFBFVTK-OAHLLOKOSA-N 427.509 2.147 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1542521617 IFYGCAHPBJHPBU-DLBZAZTESA-N 444.561 2.174 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1547419188 PCIFBBUURVSFFY-LJQANCHMSA-N 443.527 2.385 30 10 IEEE COCC1(C2CCC2)CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1557399304 AOONJWTZAOSTBK-GOSISDBHSA-N 433.574 2.415 30 10 IEEE N#CC1(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCCCC1 1557527635 RNKWJIRGZPFCOQ-UHFFFAOYSA-N 435.546 2.497 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1557987884 KJKLYDULXSPQHM-UHFFFAOYSA-N 445.497 2.333 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CCO)C3CCCC3)nnc12 1559038263 BNRQNLVRCFGGKF-QGZVFWFLSA-N 441.557 2.380 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 1561149151 JWDWARKJVQEKKR-QGZVFWFLSA-N 437.514 2.216 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C1CCOCC1 1561770869 OVGTWYCBKLPBTE-ZDUSSCGKSA-N 434.283 2.082 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c1OC 1565644455 RVEPMJSTFUBQPK-RBUKOAKNSA-N 439.516 2.416 30 10 IEEE COc1cc(C(=O)Nc2cccc(S(=O)(=O)NCCCCN(C)C)c2)ccc1C#N 1568968291 JNXLVNBTSVVDKD-UHFFFAOYSA-N 430.530 2.439 30 10 IEEE CCOC(=O)Cn1nc(C)cc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1583291389 JONGZPIVBJPHLM-BXFSZVDSSA-N 445.520 2.480 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@]2(C)COCCO2)c1 1587689104 BFLBSNPXUWPGOP-QHCPKHFHSA-N 434.500 2.135 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(CS(C)(=O)=O)CC2)c1 1587690038 XKEYKIHSLXTOJT-UHFFFAOYSA-N 441.557 2.037 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587798906 VLTRZEAVUOAYIN-VQTJNVASSA-N 428.581 2.066 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1588064594 LFQRCHMSYWKMMP-QZTJIDSGSA-N 449.527 2.326 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588266974 YVZVURCAXAPALL-SJORKVTESA-N 449.552 2.298 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCc3cccnc32)CC1 1588750798 FXFGHCDBJKSXRN-CTNGQTDRSA-N 438.576 2.272 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC(C)C)CC1 1588806101 GKYFNTDNSCCUGP-HXUWFJFHSA-N 436.560 2.068 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1589036504 JSBRMAJPVFXOKB-UHFFFAOYSA-N 440.573 2.314 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1594544918 OLFDZFRPHKSJJH-RTBURBONSA-N 438.532 2.478 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1594732624 GLAHUOAMEAVLHE-GJZGRUSLSA-N 435.516 2.219 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1596291587 XAICGVPSKOPOBV-HXUWFJFHSA-N 441.553 2.491 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1610027459 HJZVBLFWOUTRFX-SFHVURJKSA-N 432.532 2.144 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCNC(=O)C2CCC2)n[nH]1 1612419989 QYBLKDCWNLFSTA-UHFFFAOYSA-N 447.547 2.229 30 10 IEEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1ccc(C)cc1 1613659188 NNKCZANXGLMYFG-UHFFFAOYSA-N 449.602 2.072 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCc1cn(C)c2cc(Cl)ccc12)c1cc[nH]n1 1616356306 ZXJDUPJJBJYDTD-UHFFFAOYSA-N 431.880 2.198 30 10 IEEE COCCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1619828488 SYNJLXGQCSEUJG-UHFFFAOYSA-N 429.502 2.334 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)s1 1623447454 ZVEJZRJTXACGSW-VXGBXAGGSA-N 432.951 2.259 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1624565527 RLIWJBPQBQOZSK-UHFFFAOYSA-N 427.910 2.043 30 10 IEEE CN(C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1624580632 AKZYJFLAPOVDJB-FUHWJXTLSA-N 433.530 2.038 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 1628057576 LDHISCSQHAYJRW-UHFFFAOYSA-N 429.498 2.224 30 10 IEEE Cn1ccnc1COCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1633105129 VMHPHIQOLXZLSM-QGZVFWFLSA-N 432.322 2.108 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccncc2OCCCN(C)C)c1 1638131851 RXWLWQPPRUBUHV-UHFFFAOYSA-N 429.542 2.139 30 10 IEEE N#Cc1ccnnc1N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1639676360 ATDUCPQMBGPZMF-UHFFFAOYSA-N 428.337 2.073 30 10 IEEE CCO[C@@H]1CN(C(=O)COc2ccc(C#N)cc2OC)C[C@H]1CNC(=O)OC(C)(C)C 1639854711 KNUUQALOTCYMTP-VQIMIIECSA-N 433.505 2.334 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2=NCC(=O)N2C)c1 1642486412 NRXJBAQXZFTOED-UHFFFAOYSA-N 446.916 2.279 30 10 IEEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1646096893 ZSTDCWFWHJYJJO-HNNXBMFYSA-N 431.493 2.059 30 10 IEEE O=C(c1cc(Cl)ccc1-n1cncn1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040949 MKVGKWOUHPAFNX-UHFFFAOYSA-N 425.832 2.438 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2nc(C#N)c(Cl)s2)CC1 1654946227 XVAUYLNNRCHKQR-UHFFFAOYSA-N 427.895 2.396 30 10 IEEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)N(Cc2ccccc2)CC(F)(F)F)c1=O 1656571850 FZZXWZHCNAGWBI-UHFFFAOYSA-N 448.445 2.143 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 1656936482 OEYQETOYTVDMNU-OAQYLSRUSA-N 444.594 2.235 30 10 IEEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)N1CCN(CCC#N)CC1)C2 1683754718 FZOCXNITAULBQY-UHFFFAOYSA-N 434.566 2.177 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1689885618 OPIMEXUQBXALOP-QFIPXVFZSA-N 443.555 2.492 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1689986904 ZKRITCRKINWIMK-INIZCTEOSA-N 442.932 2.064 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690183229 QIPZGBDKGLUEBW-SFHVURJKSA-N 448.614 2.464 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1690190413 UBGFSUXCUSGQFD-DBXWQHBBSA-N 436.626 2.145 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690249285 WOFNRRYNDPUHOQ-LNLFQRSKSA-N 439.626 2.318 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690511101 POFRVEBXFDHYFQ-QGZVFWFLSA-N 446.577 2.336 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(C)c1C 1690559231 BPBHMSQWQLNBMK-FQEVSTJZSA-N 430.516 2.384 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690661310 ZFSKNXZHTQTQTK-AEFFLSMTSA-N 440.548 2.004 30 10 IEEE C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1693728804 GIOWAUSLQBRBKY-WZGSHADRSA-N 435.532 2.273 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)S1 1693830031 CISJWICDCCPPEP-HLLBOEOZSA-N 426.546 2.338 30 10 IEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC 1695095022 DWEVFMPFGSOXBF-IBGZPJMESA-N 426.521 2.103 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](OC)[C@H](C)CC 1696328605 DOEBTYOTPCMHPW-IEBWSBKVSA-N 427.553 2.469 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1698404158 UXEJTYDPRRZQIF-UDJKBAMHSA-N 443.577 2.388 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1705542605 JVPRNVPFLQBRML-HSZRJFAPSA-N 425.533 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ncc(CC)s2)CC1 1705649965 JXZZRGADQVTDNT-UHFFFAOYSA-N 449.584 2.297 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1705716467 LXDJKCVNWTXKLF-SFHVURJKSA-N 437.541 2.201 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1705902765 JIKJGPKGIVMFGG-HNNXBMFYSA-N 445.520 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1705902768 JIKJGPKGIVMFGG-OAHLLOKOSA-N 445.520 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2ccnc2C)C1 1705928906 IZNGRPMYJGQJFZ-KRWDZBQOSA-N 441.561 2.256 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1706516342 BCQZOPBLYILPED-COPCDDAFSA-N 438.576 2.381 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1710239553 GYRBWZVAMNJLIM-HXUWFJFHSA-N 442.589 2.314 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1711052124 JNKDEIGZNWMRBI-XMMPIXPASA-N 449.559 2.179 30 10 IEEE Cn1cnc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)n1 1711267911 CARAGYKSNATVND-UHFFFAOYSA-N 437.527 2.381 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1711325934 WECVNSAEYYQMTM-HSZRJFAPSA-N 445.483 2.204 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1712529992 FFFLQMYKSKPQPX-KKSFZXQISA-N 436.532 2.093 30 10 IEEE COCCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1712603441 QSOHSPPSQLZZBK-UHFFFAOYSA-N 429.521 2.131 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1722356864 UXVJIZADHGCYBF-UHFFFAOYSA-N 446.555 2.421 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1722361063 KTQJHWBYFQYRFV-QGZVFWFLSA-N 443.479 2.293 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCCCO3)CC1 1722559838 JTBMUTXGBRWFTO-MRXNPFEDSA-N 447.561 2.254 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722629235 OAOFDVGLJVPQCS-MRXNPFEDSA-N 444.502 2.066 30 10 IEEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cnnn2)cc1 1724457620 HDZVHIWTJPODCE-IBGZPJMESA-N 427.513 2.398 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1727648356 BVDFGCNYHVJUET-KRWDZBQOSA-N 449.481 2.416 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)C[C@H]1O 1729783485 YLIUNBIDZFKURT-QXAKKESOSA-N 441.557 2.320 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CCC1 1740540726 YIPBTXJAEPLQHW-WQIZZMQYSA-N 434.587 2.108 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1740554909 XMEUCZQZWKVUMF-IAGOWNOFSA-N 430.553 2.153 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)c1 1740561360 CUHAFIKCGNKVRC-XMMPIXPASA-N 434.544 2.469 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1 1740662232 HCXFSGVJCPJKGW-QFIPXVFZSA-N 430.505 2.236 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CC=CCO2)n1 1740688801 JYKPUWLOEDWQRS-NRFANRHFSA-N 433.516 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740702197 JMAKRXPGKUUNKC-TZIWHRDSSA-N 444.624 2.114 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1741694649 GSNRPZGAEQCAGL-GOSISDBHSA-N 432.532 2.237 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1 1741710453 DTDYVNDQHOUCDI-QGZVFWFLSA-N 434.591 2.086 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1744509200 AYWFJVOCNJYBNT-UHFFFAOYSA-N 449.563 2.348 30 10 IEEE C#CCCCCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1748698192 DJGKPGIXASCAPT-UHFFFAOYSA-N 428.581 2.145 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C 1748766117 GCISHMGNMOKCNX-UHFFFAOYSA-N 430.940 2.093 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1748814207 AZNNRSPHKUDDAR-VQTJNVASSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1748818048 UXBCIPKUCKCHEH-ROUUACIJSA-N 440.635 2.188 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCCC2)cc1 1748843473 FQYFCGXCLIONGJ-QFIPXVFZSA-N 430.556 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC2CC2)nc1 1748901096 RZBKKUMFFBPGMG-UHFFFAOYSA-N 432.528 2.096 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2nnc(C)s2)c1 1748933725 IMUXGHWLDMHPFR-QGZVFWFLSA-N 425.518 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748964697 MUVUDVOZOQAYTQ-MRXNPFEDSA-N 431.503 2.216 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1748972593 LTFBPBKPQVWVFC-UHFFFAOYSA-N 426.540 2.181 30 10 IEEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749101450 BYOBKFSHWFSWBL-UHFFFAOYSA-N 437.342 2.365 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CCC1 1749482513 JTVLZSDLGYDNQX-GDLZYMKVSA-N 436.607 2.162 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(=C)CC1 1749650625 CWCBYYPCQVOMSN-UHFFFAOYSA-N 428.924 2.320 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1749663530 JDKQCWFYFPBNGJ-ZWKOTPCHSA-N 425.537 2.211 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCCCC2=O)C1 1749706359 PDSLNVZLQVKQDU-IBGZPJMESA-N 427.553 2.253 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749734768 MMQBOZQZTPXMOG-UHFFFAOYSA-N 437.610 2.060 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1749756250 VODNJTYRSYZDDX-ROUUACIJSA-N 440.635 2.352 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)SC 1749965116 AOYBJVWOLLULIC-KGLIPLIRSA-N 432.550 2.289 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1750062194 VGOOOQNLQQHZPC-SGTLLEGYSA-N 434.342 2.120 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1NC(=O)NC1=O 1751090803 KHDGKRIIFYJHKR-ABAIWWIYSA-N 433.875 2.464 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760245048 PCUVXWWTTCLBSB-KNQAVFIVSA-N 441.488 2.277 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1760249646 POGAKIDVENTSDA-PRAQEBQASA-N 430.574 2.185 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760360506 DUFNXVXWDIHTHT-MRXNPFEDSA-N 433.582 2.463 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760522806 ZCXAGTIXUAPWMB-NYHFZMIOSA-N 432.569 2.272 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760527270 QMZDGKDFJXRDES-UHFFFAOYSA-N 436.560 2.275 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1760756256 FKMNXMBURMLZFS-INIZCTEOSA-N 446.577 2.384 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1767205557 RKSAOUYMTKAILM-WPCFFEEUSA-N 426.521 2.449 30 10 IEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)ccc1OC(C)C 1768271635 UCFMDOQBCUTRNE-ZHRRBRCNSA-N 442.495 2.461 30 10 IEEE COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)c(OC)c1 1768467184 JPEWYGCIAFRBNK-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)c1ccccc1F 1770178096 XTEFWWKHLBUVHM-GJYPPUQNSA-N 444.511 2.167 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)C2)s1 1772789246 CFRZPJQJSRPNKG-ZDUSSCGKSA-N 434.495 2.212 30 10 IEEE CN1CCN(c2nc(Br)ccc2NS(=O)(=O)c2ccc(C#N)cc2)CC1 1848836880 YJRUTXCOPUDGLW-UHFFFAOYSA-N 436.335 2.268 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1F 1854544424 SJQQDEOHPHPLNJ-UHFFFAOYSA-N 429.473 2.290 30 10 IEEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2(C)C)c1 1854775075 LVSRCHSFMMRFFL-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(CC(F)(F)F)c3ccccn3)ccc21 1855959337 KMPTUGKGILDRDP-UHFFFAOYSA-N 438.387 2.169 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(F)cc3Cl)C2)CC1 1857042300 VKRXFJZVNVCLMN-ZDUSSCGKSA-N 427.885 2.033 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862594011 OBTPPZYDNJCPTP-SFHVURJKSA-N 425.397 2.015 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862633051 DQVWLIZCUXKFDQ-SFHVURJKSA-N 442.380 2.254 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cccc([N+](=O)[O-])c1 1874289789 WXLKTVMCJAEDPL-UFFVCSGVSA-N 442.457 2.234 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(O)c1 1874431728 ZKCMHASLYDSWCZ-AUEPDCJTSA-N 442.476 2.372 30 10 IEEE C[C@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)n1nc(-c2ccccc2)ccc1=O 1891450218 YEXMVRPPZBHXHM-QGZVFWFLSA-N 444.495 2.451 30 10 IEEE C#CC[C@@H](COc1nc(C)nc(I)c1N)NC(=O)OC(C)(C)C 1986517409 DNBVOMJRTDKTOL-JTQLQIEISA-N 432.262 2.267 30 10 IEEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2[C@H]2COC(C)(C)O2)cc1 2033814111 LJKLYLHSOLIBMV-HIFRSBDPSA-N 431.470 2.499 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2049161992 ISKPVXIBGVKFIN-QZTJIDSGSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060625667 MYHAZXSECAELEI-IAGOWNOFSA-N 432.326 2.464 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2060773912 VITBSDVYQATMMB-PCCBWWKXSA-N 442.560 2.495 30 10 IEEE CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2073248436 PXRMUJDNXGMKFS-QGZVFWFLSA-N 434.342 2.224 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](COc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224120737 MUTPBCSDEZYVQH-MRXNPFEDSA-N 433.358 2.311 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835669 OPJSMSQLRPRUFO-STQMWFEESA-N 435.355 2.276 30 10 IEEE C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248445389 LIBVARMLJIWJLN-YPMHNXCESA-N 443.350 2.310 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255630883 QELOYOMZJIQUHR-NRFANRHFSA-N 434.346 2.086 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1 2255698531 RATPZLMNARYFJR-UHFFFAOYSA-N 437.321 2.013 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825607 CFODYTIWEHLYDY-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827674 ZRXYIGQLCJEPCR-UONOGXRCSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267142051 OWCXMUHKDMRCMF-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CN(C(=O)OC(C)(C)C)C1 2267523826 HKXCVUJNTSSJTR-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267596225 LWSGPBARFGHUMJ-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE COCCn1cc(C#C[C@@H](O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cn1 2302030817 AZVVZGHQCORPLQ-LEWJYISDSA-N 429.517 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2ccc(Br)cc2C#N)C1 2379815023 DBMFABHXKGHZQS-MRXNPFEDSA-N 435.322 2.492 30 10 IEEE CCn1c(N2CCCC2)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39769245 IUEKVCQUBAHQKM-XNTDXEJSSA-N 446.554 2.324 30 10 IEEE Cc1nc2ncnn2c(C)c1CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 109940584 OWTSUFWLQQZXKV-GOSISDBHSA-N 435.513 2.086 30 10 IEEE CCCN1CCC(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 116361261 NMPFTELAXQJYHA-UHFFFAOYSA-N 432.590 2.197 30 10 IEEE C#CCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 250643342 IJFSJCBCRLVRQD-RDJZCZTQSA-N 431.539 2.141 30 10 IEEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2cc(Br)ccc2O)[nH]1 253577733 XKNSCNBAVSPDNI-OMCISZLKSA-N 443.283 2.084 30 10 IEEE O=C(CN1C(=O)C(=NNS(=O)(=O)c2ccccc2)c2ccccc21)Nc1ccccc1 254550958 WZJGPUOFRSHFBM-UHFFFAOYSA-N 434.477 2.355 30 10 IEEE COCCCN/C(=N/N)Nc1cc(Br)ccc1I 302398374 NZFKMPOQYSTFCC-UHFFFAOYSA-N 427.084 2.321 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 409492239 PNISDZUIZRNTMA-PWSUYJOCSA-N 425.864 2.258 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 409514326 QKIGUSGTWUTZHR-DOTOQJQBSA-N 436.582 2.444 30 10 IEEE C[C@@H](C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)n1cnc(C#N)n1 409769608 UTBRKYZOLQSCIP-ORAYPTAESA-N 427.461 2.159 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCO2)CC1 461062259 VUYXBLKQTWSYFI-PZJWPPBQSA-N 438.532 2.133 30 10 IEEE Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465496721 SSVHKAZVVHNBTL-KRWDZBQOSA-N 428.496 2.467 30 10 IEEE N#Cc1ccc(NCC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nc1 470368695 DIBUOAQBLXDZHX-UHFFFAOYSA-N 448.310 2.422 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)c1 473380165 PLMUIIHSJAHHPU-UHFFFAOYSA-N 426.502 2.050 30 10 IEEE CC(C)N1C(=O)C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 503625071 DXOHZUPIKVLOOQ-QRWLVFNGSA-N 434.899 2.362 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)CNC(=O)c3ccccc3C)c(C#N)c2N)cc1 530748487 YDYOIZGWPFEZFA-UHFFFAOYSA-N 430.512 2.422 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@@H]1CCOC1 532756157 RDDQMSZYYNYVEJ-LBPRGKRZSA-N 448.466 2.236 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccccc2I)CC1 533223272 WGKTUEWMRRDTLL-UHFFFAOYSA-N 447.280 2.319 30 10 IEEE N#Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 537324962 FMJZPSFMLICJNE-UHFFFAOYSA-N 425.466 2.439 30 10 IEEE Cc1cccn2c(=O)c(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)cnc12 538007533 PJDALZBJAIABNB-UHFFFAOYSA-N 445.458 2.144 30 10 IEEE N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)n1 546911670 BLJJAKAAXKIKRX-QGZVFWFLSA-N 429.402 2.426 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)Nc3cc(C(=O)O)ccc32)cc1C(F)(F)F 547904671 ZQYABHOKTYBHSR-UHFFFAOYSA-N 425.344 2.423 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 553119495 NQOHWTFCGBJCKS-UHFFFAOYSA-N 438.532 2.191 30 10 IEEE CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 556451126 CLYVSHQCSCOJJP-MRXNPFEDSA-N 427.530 2.340 30 10 IEEE CC(C)c1nc([C@@H]2CCCCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 564524599 HIQSCCWZCRAORZ-KRWDZBQOSA-N 431.518 2.487 30 10 IEEE CC(C)c1nn(-c2ccccc2)cc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 574563952 RGWZXXUBENFHTG-UHFFFAOYSA-N 437.525 2.462 30 10 IEEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 611081760 WSPAOSYHOAXESC-UHFFFAOYSA-N 430.486 2.030 30 10 IEEE CCCc1c(NC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cnn1-c1cccc(C#N)c1 615271074 DDEVDOWXJGPUSI-LJQANCHMSA-N 435.488 2.197 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)CC1 669459607 OQPGJWKGPRDPTE-UHFFFAOYSA-N 437.500 2.468 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 725755072 DHXFBPDCPPFFDJ-UHFFFAOYSA-N 427.457 2.365 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)n2ncc(C#N)c2N)c1 726982400 PSXCBPPZMZXVEO-UHFFFAOYSA-N 429.889 2.500 30 10 IEEE COCCOc1cn(-c2ccccc2)nc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 729885983 UZSLKDGKODJIHL-UHFFFAOYSA-N 440.481 2.029 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C)c(F)c3)c2=O)cc1[N+](=O)[O-] 730251491 GGEHNYXTQNAPNC-UHFFFAOYSA-N 436.424 2.290 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732696521 HVRFQOLOTHLMKQ-SFHVURJKSA-N 431.562 2.374 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1C1CC1 732707287 WEEOAGNPKFXYEY-GOSISDBHSA-N 439.903 2.451 30 10 IEEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734291531 TXDZIYJPRBWVFG-AWEZNQCLSA-N 427.548 2.318 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)c1ccc(C#N)cc1 740223703 AACFEMAZVBMTKA-GOSISDBHSA-N 442.449 2.182 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)NCCNc2ccc(C#N)cn2)C1 745531435 WQEZGVDQZCBZST-OAHLLOKOSA-N 426.443 2.198 30 10 IEEE CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753044848 ICJGQAOUIAAFOB-HOCLYGCPSA-N 437.562 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C#N)nc2)C1 760136016 ZPDXGUQHBJHTEB-LPHOPBHVSA-N 441.532 2.321 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCN1C1CC1 767933786 BBJSFPNMNSXCQS-NVXWUHKLSA-N 435.450 2.188 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)nc1 779905534 MAMVEAQZYCSDQP-XMMPIXPASA-N 449.511 2.124 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 789324271 HRFIZFCQBSNPGE-UHFFFAOYSA-N 432.908 2.418 30 10 IEEE C=CC[C@]1(C(=O)Nc2ccn(CCN3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C 790616911 NUTPPDYTQRAKPF-JOCHJYFZSA-N 433.553 2.500 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 795774875 SFFNXMJCUXPXLB-UHFFFAOYSA-N 425.829 2.165 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(c3cccc(F)c3C#N)CC2)CC1 795846198 IEJNUZWFGMUXRM-UHFFFAOYSA-N 445.539 2.289 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 796094617 CUGFXCGSBWMCIR-LJQANCHMSA-N 432.567 2.384 30 10 IEEE CCOCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802614730 QJJYMIKGHOFMTO-KRWDZBQOSA-N 448.531 2.197 30 10 IEEE CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC[C@H]1NC(=O)OC(C)(C)C 804158424 VCMBEWROOFSUKL-CRAIPNDOSA-N 432.496 2.465 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)c1ccc(F)cc1 812933735 LJZWSPBTDKMOCS-HXUWFJFHSA-N 436.553 2.337 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCOc3ccc(CCC(=O)NC4CC4)cc3C2)cc1 826782614 FUXGYUZKZAHZKQ-UHFFFAOYSA-N 425.510 2.353 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)n1 856714180 WWCXRCILIUXALJ-AOMKIAJQSA-N 427.480 2.065 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCN(C(=O)C3CC3)CC2)C1=O 917701177 LADWMSYMVRFVMG-SFHVURJKSA-N 439.541 2.027 30 10 IEEE Cn1cc(/C=C\C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(=O)n(C)c1=O 918660015 ZADRSOHYYPLTNW-XFXZXTDPSA-N 430.464 2.381 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1132732374 AKSZFSSJNWNKIQ-UHFFFAOYSA-N 441.553 2.213 30 10 IEEE C#Cc1cncc(C(=O)Nc2cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c2)c1 1136501917 JKPYXSPUVXHFMV-UHFFFAOYSA-N 444.513 2.118 30 10 IEEE COc1ccc(C(=O)NCc2ccnc(C#N)c2)cc1S(=O)(=O)N1CCCCCC1 1139855382 HPCHBWHUBFGOAJ-UHFFFAOYSA-N 428.514 2.457 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)s1 1152417889 CVWHSZXZJFMRNP-SFHVURJKSA-N 433.599 2.454 30 10 IEEE C[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 1157534714 XYFPLKODFWBXQT-KDOFPFPSSA-N 447.557 2.474 30 10 IEEE N#CCc1ccc(Oc2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)cc1 1159491633 YZDRFKKFJUORMY-UHFFFAOYSA-N 427.420 2.376 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@](O)(c4ccc(Cl)cc4)C3)CC2)o1 1171706526 KQQWXTWWUIXLHF-QFIPXVFZSA-N 443.935 2.140 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@H](C#N)C2)CCN(Cc2ccccc2)CC1 1181304661 MLUYYTWHVVOJEY-LJQANCHMSA-N 428.533 2.297 30 10 IEEE N#Cc1ccc(OC2CCC(NS(=O)(=O)c3[nH]cnc3Br)CC2)nc1 1188244779 BCCHUVILIYQBRM-UHFFFAOYSA-N 426.296 2.107 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(CC(N)=O)C2CCOCC2)n(-c2ccc(F)cc2)c1C 1197383858 ANHMJYRYTUUDEF-UHFFFAOYSA-N 427.480 2.010 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(F)c1 1210549200 CJQSDOQZMJCCAJ-CQSZACIVSA-N 441.481 2.136 30 10 IEEE CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C#N)ccn1 1269436183 BLDGJYKVOGZSHV-QGZVFWFLSA-N 429.458 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1286293924 ALFNRHXBHIABKH-SIKLNZKXSA-N 438.576 2.276 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(CO)c1 1286363487 SQKWBXCZULEILI-UHFFFAOYSA-N 438.557 2.157 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286430604 PBPVFSVZHDWDSF-QFBILLFUSA-N 433.512 2.072 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(-c2ccccc2)n1 1286450305 PEHVUAXGBDBEFZ-UHFFFAOYSA-N 446.540 2.358 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1286537574 GIZILCLRLGUHDL-OAHLLOKOSA-N 426.359 2.385 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286566886 KAISYPREGRYURX-FOIQADDNSA-N 439.582 2.408 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CCCN2CCOCC2)CC1 1286595923 OIDQXMWJAGWFTC-UHFFFAOYSA-N 430.597 2.305 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSCC2)cc1 1286796335 LCNQLUGXRVORDP-QGZVFWFLSA-N 434.587 2.347 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1286830493 OKDWMZGCNGCWEO-CVEARBPZSA-N 447.634 2.488 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCCC1 1288506489 HBUVYMOKFQQLTL-OAHLLOKOSA-N 444.561 2.133 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1300324173 AUSABZSJHUDCND-LPHOPBHVSA-N 432.546 2.291 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300484454 SLUVWZMTVYXCTG-URLQWDBASA-N 430.530 2.170 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1300497087 XHELMUAIEMOIDO-DLBZAZTESA-N 442.532 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC(O)CC1 1300569117 BXTWISRDYWCRLQ-UHFFFAOYSA-N 449.555 2.026 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OCO2 1300652887 FAJVIUBELOVFSZ-HSZRJFAPSA-N 442.516 2.182 30 10 IEEE C=C1CN(C(=O)c2n[nH]c(C3CN(C(=O)OC(C)(C)C)C3)c2I)C1 1300669566 UFENUEVOUHCWEL-UHFFFAOYSA-N 444.273 2.361 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCOCCN(C)C)CC1 1300685879 UDNVFAJJIMPSQB-UHFFFAOYSA-N 436.604 2.082 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1300688659 HVERTTZBTDDWHF-RTBURBONSA-N 439.560 2.390 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)CC1 1301066712 TVCBTRYHOUNKDG-KRWDZBQOSA-N 432.594 2.467 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1301298124 ZAZVPPPIPZDTAA-KRWDZBQOSA-N 439.969 2.129 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCCS(C)(=O)=O 1301355493 XOSSLZXPQRZZCN-UHFFFAOYSA-N 437.591 2.203 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301416429 GRLXUEFRIWACHE-MSOLQXFVSA-N 439.626 2.419 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1301439231 GEUQLJOWUDSRRS-QHCPKHFHSA-N 443.548 2.440 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1301452152 JKKWBYSMDFKQMY-FPOVZHCZSA-N 427.549 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(COC)cc2)C1 1301535063 HKQPYXPQIJULEV-FQEVSTJZSA-N 425.533 2.490 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301919676 DWPDHHMUQJLTHF-IBGZPJMESA-N 432.532 2.145 30 10 IEEE COc1ccc2cc(CN(C)C(=O)Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)ccc2c1 1307383390 DJKQILFOQANDKW-UHFFFAOYSA-N 432.480 2.345 30 10 IEEE C=CCOCCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1311669436 YUJAMKUVHZPGCQ-UHFFFAOYSA-N 428.512 2.334 30 10 IEEE COC(=O)N1CCC(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1315115691 KPTMSDPHPDVTNI-VGOFRKELSA-N 448.568 2.393 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cs1)C(N)=O 1352237888 MTZXHKRJENGATK-KRWDZBQOSA-N 447.561 2.401 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1358927325 VAMYWTMCHXDDSJ-UHFFFAOYSA-N 439.486 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358981060 USJWHJPLPDGQDS-FQEVSTJZSA-N 441.539 2.005 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CC2)CC1 1359030672 BHNFMTJKFLIVMV-UHFFFAOYSA-N 434.313 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)CN(C)C)CC1 1359046229 JLKCORMUHOZCHX-UHFFFAOYSA-N 442.633 2.484 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359125284 WPNXFEWQJDTGSL-QFIPXVFZSA-N 427.553 2.320 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1359193708 IJJCTSYNMBXOHJ-SFTDATJTSA-N 438.576 2.358 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359202994 GKPHSJKJQMKIBJ-HMXCVIKNSA-N 430.597 2.127 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1359259461 WSNIMIMSIVUTFA-KWMCUTETSA-N 436.603 2.141 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCSC1 1359281197 RUZMOWYHYUTRNE-NRFANRHFSA-N 442.545 2.101 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN(CC)CC)C1 1359296164 ZDSYTTJDKBSYMB-MRXNPFEDSA-N 431.972 2.464 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(OCCN2CCCC2)CC1 1359301474 ZGKNDCHBMYGBDK-UHFFFAOYSA-N 432.613 2.250 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 1443840392 RGGWMTOPASNDIV-QGZVFWFLSA-N 435.546 2.133 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1463589590 OKMWGUBJWUIDJZ-UHFFFAOYSA-N 438.532 2.274 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c1 1463729931 OCVVYDGDDWBJSC-QYZOEREBSA-N 432.546 2.275 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1466695538 ZVFFBTPXNACQEN-QFBILLFUSA-N 431.374 2.197 30 10 IEEE C[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)n1nnnc1C(C)(C)C 1469883876 AJZIKROPQIUHRZ-OAHLLOKOSA-N 433.520 2.142 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2 1470340876 NEAQMIIVQXUGLB-QFIPXVFZSA-N 438.488 2.225 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)C1 1475179051 BHSLFBQMVOSYAT-DOMZBBRYSA-N 433.490 2.138 30 10 IEEE C#CC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CCCC1 1475917650 NTHNVRCVNISBMB-UHFFFAOYSA-N 446.573 2.375 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1F 1505276564 MTNZYNNHLYKZQB-KDOFPFPSSA-N 435.463 2.065 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1507586070 USMFKOGSLYGSBO-NRFANRHFSA-N 448.571 2.259 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1COCCO1 1507694301 LFCQJBKNHSPFGG-KRWDZBQOSA-N 435.322 2.495 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1507725241 RUKWZBNUPJEDPW-UHFFFAOYSA-N 449.525 2.313 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nnc(CC)s2)CC1 1507725725 AAKPUKDYOXWDAZ-UHFFFAOYSA-N 437.573 2.383 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507754175 LWXDZNXXWGCGSF-WMZOPIPTSA-N 445.593 2.461 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(=O)NC 1507793716 FPZVWOQUSKAVOH-UWJYYQICSA-N 441.532 2.270 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507958860 ZNGSBHZYXQOGNZ-ZDUSSCGKSA-N 437.342 2.295 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1508096429 ACCZFAQOCPULEO-ICSRJNTNSA-N 439.560 2.290 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCOC1 1508109910 WTLRLVVRAZBXLG-SFHVURJKSA-N 425.533 2.486 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccccc2F)C1 1508129543 RUDXZDBVKJHDLV-VQIMIIECSA-N 429.496 2.480 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCSC2)C1 1517026493 XTNLCYBIBLJKKV-HXUWFJFHSA-N 446.602 2.042 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC(C)C)cc1 1518329707 HGZRNTZJMOVMHA-NRFANRHFSA-N 430.484 2.222 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1524133331 LGUFYKNBPLKWCP-MRXNPFEDSA-N 442.497 2.178 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)c(OC)c2)cc1 1525683951 QCLNQMLZWSPABG-AWEZNQCLSA-N 425.441 2.127 30 10 IEEE CN(C)C(=O)[C@@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(F)(F)F 1528148651 DZRMTRZCLFCYKB-PIGZYNQJSA-N 430.814 2.090 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)ccc1OC 1532954758 PSJMRXHHJLRAEC-IBGZPJMESA-N 427.526 2.495 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1534710373 ZZCSJSDCNFFHFE-UHFFFAOYSA-N 429.480 2.375 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1537013210 JWJGMZIZXKFBRV-MRXNPFEDSA-N 444.598 2.282 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCCC1 1539026391 VCZLLBIBYMJKOP-OAQYLSRUSA-N 436.604 2.406 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CCC)OC)c1 1539043343 OZZAWFQZLDIDTE-MOPGFXCFSA-N 438.532 2.101 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCOC(F)F)c1 1539043612 RZAWVQLRONSUIS-INIZCTEOSA-N 433.459 2.468 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(C(C)(C)C)no2)CC1 1539431037 QQMADEADRNUGRR-QGZVFWFLSA-N 430.553 2.091 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539459273 BUBONNAEQXRBRL-ZWKOTPCHSA-N 444.605 2.086 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ncc(CC)s2)CC1 1539462929 QBMGHEZRSNUXAE-PXNSSMCTSA-N 444.605 2.019 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(C)CC2)CC1 1539469697 UQIWEJZVAMZDJP-HSZRJFAPSA-N 429.565 2.086 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1cn(C2COC2)nn1 1540195487 AJPWTFRZQFFQTJ-UHFFFAOYSA-N 429.912 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC)[C@H](C)C1 1540864586 FNSMBFGYEBZXEH-OAHLLOKOSA-N 434.491 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)c1cc(OC)cc(OC)c1 1540901762 OBUGTDWCPHIOLP-UHFFFAOYSA-N 444.517 2.121 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1547771064 GDQQWAZIEOODKZ-HXOBKFHXSA-N 439.564 2.465 30 10 IEEE CC[S@](=O)CCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552427213 RNQFPLWTRZFACD-HKBQPEDESA-N 440.504 2.388 30 10 IEEE C=CCC1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CCOCC1 1558065977 LRYBQEFLXCFASP-KURKYZTESA-N 449.548 2.400 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1C 1558463931 BGHGCXWFGWHRAJ-LJQANCHMSA-N 441.557 2.342 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCn2ncc(I)c2C1 1564067847 SGWPVEFVJPDKRB-UHFFFAOYSA-N 436.253 2.225 30 10 IEEE COC(=O)N1CCC(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1568721346 UWHHSJAZDXWKDQ-UHFFFAOYSA-N 435.322 2.352 30 10 IEEE COC(=O)[C@]1(OC)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1584937341 JHAQQTRBVBRFRS-JPYJTQIMSA-N 443.500 2.183 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587777720 OWNWIPIIMOTLGK-IBGZPJMESA-N 429.590 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1([S@@](C)=O)CC1 1588093151 CWFRVAOSTSYKKR-AREMUKBSSA-N 434.363 2.030 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588379006 VZQWFVYZFBBPCR-OAQYLSRUSA-N 437.592 2.217 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1589047703 GDXVFBOAEGEGNI-OAQYLSRUSA-N 425.562 2.136 30 10 IEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589096514 DLWUPNBBABONAK-KRWDZBQOSA-N 443.598 2.340 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1589192241 MBWXNBNCHYPUTF-JOCHJYFZSA-N 436.541 2.311 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1594819352 CCDCKVZHOCUUAY-QHCPKHFHSA-N 437.548 2.342 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1594998102 XHFHMSGJSNOHPP-VXPUYCOJSA-N 426.452 2.145 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1595522437 DMABVVQRCIUDMR-UHFFFAOYSA-N 444.499 2.318 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1595705729 DCDJTHBECHNQCE-UYAOXDASSA-N 425.533 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C)C1 1595772605 FFGHGTJGYGUCIS-AWEZNQCLSA-N 440.953 2.433 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccc(Br)cc3CCC2(C)C)C1=O 1597044841 NPRVXNAQINYNLS-UHFFFAOYSA-N 434.290 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1598441208 RHEWNOOOROOLAG-MBSDFSHPSA-N 445.491 2.434 30 10 IEEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 1618450118 CATMYWNBNVTSPD-GOSISDBHSA-N 447.547 2.125 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@]2(CCC)C(=O)OCC)s1 1618530556 OQUFGGQQUPKDPK-LJQANCHMSA-N 428.576 2.479 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1619450499 WLOVHIPGDQCIKN-HNNXBMFYSA-N 436.472 2.080 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cc([C@H]4CCCN4C)[nH]n3)c(C#N)c2N)cc1 1621094038 OPADINAQOXGUFQ-OAQYLSRUSA-N 432.532 2.487 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1622264878 SGDZFPPCCBHFTO-WMZOPIPTSA-N 428.576 2.039 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1=O 1624176361 AIXDNQJIPUVOJJ-QHCPKHFHSA-N 432.480 2.147 30 10 IEEE CC(C)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@@H](C)C1=O 1625721464 SATZLWYZLLBYRR-PDIVGGKMSA-N 432.565 2.489 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1626974205 DQVOLVMAWPYMFF-AVCGJXAMSA-N 433.508 2.207 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1 1627295977 QXYQQTHWSMPHFC-BRWVUGGUSA-N 449.573 2.457 30 10 IEEE Cn1cc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C2(CO)CCC2)cn1 1628292411 KZQCLOOSADCUKI-MGPUTAFESA-N 441.919 2.318 30 10 IEEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1628391916 RXTMNABXGACKOY-SJCJKPOMSA-N 441.431 2.359 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1 1629313818 HNKUVDWNHRPRTL-UHFFFAOYSA-N 435.546 2.280 30 10 IEEE C#CCN1CCC(NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)CC1 1630913008 BTOVMDIGGBTWIK-UHFFFAOYSA-N 426.542 2.384 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccc(F)cc1C)C(=O)NC 1638951448 DDEVVNDAEAPJRV-PKOBYXMFSA-N 433.524 2.462 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)CC1 1639095244 QZCKICKLEUTRER-UHFFFAOYSA-N 432.572 2.384 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccccc2)c2ncon2)s1 1639398800 NIGSWZSEUXIDKO-MRXNPFEDSA-N 432.527 2.238 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1640588916 QZLBPESJBDPJNO-BXFSZVDSSA-N 430.505 2.079 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 1642899737 AKHFHIXYFYRNTP-UHFFFAOYSA-N 432.477 2.037 30 10 IEEE Cc1ccc(CN2CCO[C@H](CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)cc1 1643800229 NIAUZHNABACOOT-JOCHJYFZSA-N 430.512 2.265 30 10 IEEE C#CC1(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CCCC1 1644435447 VWMWDFFCKLPKQK-UHFFFAOYSA-N 429.336 2.050 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1Br 1655516380 FFZKZQGOFFZLAS-HOCLYGCPSA-N 447.326 2.448 30 10 IEEE Cc1ccc(Br)cc1Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1656778605 GPYOEJZQLSKFGT-UHFFFAOYSA-N 434.290 2.343 30 10 IEEE CC(C)(CC#N)CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1661556924 BZODNYYYYIMKPT-MRXNPFEDSA-N 444.598 2.142 30 10 IEEE Cn1cc(Br)c(=O)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1670623901 DUUSCJVEDNXZGW-PWSUYJOCSA-N 440.298 2.028 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 1673531472 BLGYAZRVKORCSM-UHFFFAOYSA-N 449.920 2.462 30 10 IEEE C#C[C@H](NC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)c1ccc(Br)cc1 1682357445 ZLWRKCOVXMROOL-KXBFYZLASA-N 433.306 2.143 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1689856431 QGCSOZZCNGFPAK-HNNXBMFYSA-N 444.586 2.070 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1689878926 ZLBMNRFETLRIHQ-AWEZNQCLSA-N 433.310 2.480 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2nc3cccc(Cl)c3n2C)CC1 1690138160 UCOIBABFVHGUDW-UHFFFAOYSA-N 425.924 2.141 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690342247 GRJJWLOOHYKLIN-OAHLLOKOSA-N 435.985 2.323 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C#N)C1 1690660805 OPQNUEYUDMPRNJ-QGZVFWFLSA-N 449.540 2.408 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1690680098 IREFADXRUBSBNK-UYAOXDASSA-N 428.533 2.450 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncn(C)n2)C1 1690684845 PQCOPXDWUVTJCC-SFHVURJKSA-N 436.520 2.105 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1697044552 FVUBQYZHAHYNQY-ZOKDDAQRSA-N 429.546 2.363 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCN1CCCCC1 1698255494 TULWMERBKLZPJI-HBMCJLEFSA-N 446.596 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCC2)nc1 1705476140 ZIEWEVYMZPZBTQ-KRWDZBQOSA-N 430.516 2.427 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1705494829 GNHVUHNBXYXHPE-SZMVWBNQSA-N 433.553 2.469 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1705566145 ZANOBEDCWTVRBA-KRWDZBQOSA-N 429.571 2.329 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1705586802 XCTWCYOCPHPXDC-QFIPXVFZSA-N 433.556 2.403 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cn2ccsc2n1 1705617178 WIIFKNYNMWGECM-UHFFFAOYSA-N 425.543 2.487 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](C)(C(N)=O)C1 1705655069 CBVCEMUGFUGUIX-QFIPXVFZSA-N 435.557 2.403 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C)s1 1705737563 VFSYBZZUAIHLJF-HNNXBMFYSA-N 425.580 2.174 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1705826295 AMDURNCZENINKI-HNNXBMFYSA-N 435.326 2.368 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)C1 1705916656 QPTCYHKDQIFQAQ-GDBMZVCRSA-N 425.580 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CC2)C1 1705917658 XKWQUNRPSJHDAR-PMDYLXHRSA-N 438.594 2.011 30 10 IEEE COC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1711485890 ACNSVRJMNDQNIK-LJQANCHMSA-N 435.529 2.105 30 10 IEEE COc1ccc(COCCn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1 1711858874 NPOKORMRHFNFRT-UHFFFAOYSA-N 433.516 2.405 30 10 IEEE COc1cccc(OCCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1711939633 NMFCJMHJBDRKSK-JOCHJYFZSA-N 442.495 2.320 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1712499417 QZLHOQDSENLDMM-HZPDHXFCSA-N 437.504 2.154 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N[C@@H](C)c1ccccc1 1722342534 QWIQSRQRXXLCPS-DLBZAZTESA-N 432.594 2.087 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@]1(N2CCOCC2)CCSC1 1722420609 KFCPRWMBNKFICG-JOCHJYFZSA-N 445.589 2.140 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722425795 MPYRMDIOQGXLFA-QGZVFWFLSA-N 428.537 2.263 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCc2ccccc2)CC1 1722696309 ILOHSLCSEZGDOV-UHFFFAOYSA-N 431.544 2.007 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C)C1 1722707212 JHQHLQBUZSTOSD-SJLPKXTDSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCO[C@@H](C)C1 1722727516 JBDUNKLYMINJIP-QFBILLFUSA-N 448.545 2.007 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(N(C)[C@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1727486458 SCFLYOJJHRRDAN-ZHRRBRCNSA-N 445.568 2.410 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)C[C@H]1O 1729783059 PXOXVRJEKHCQHM-OQIJWPOYSA-N 427.480 2.315 30 10 IEEE CO[C@H](CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1729860407 XDYAFYSWIPAWHG-UONOGXRCSA-N 430.456 2.330 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1740622044 SSVFOTDWBGGMJR-SFHVURJKSA-N 439.541 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1740756025 DYFNSRXRYCZPLQ-ICSRJNTNSA-N 441.580 2.263 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740793625 UXDWUABEVPPOKD-HUUCEWRRSA-N 431.459 2.370 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)CC1 1740818014 ANCZBWLCPAOLSK-MRXNPFEDSA-N 431.562 2.166 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)CC1 1740824974 GTYOCHQDQJZFTG-HXUWFJFHSA-N 429.590 2.469 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncn(C)n1 1740919353 CTMGGOSOXIQQNH-JOCHJYFZSA-N 441.511 2.439 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@@]1(OCC)CCOC1 1740964677 GKNDTNCJEXJFJO-JOCHJYFZSA-N 445.951 2.449 30 10 IEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740998841 SQKPURJXFONPDY-KRWDZBQOSA-N 426.546 2.337 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1741006715 PHSDCHBAIRTGPX-WKRCXCSHSA-N 438.594 2.306 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1741710470 FAVZUABHHVFVGR-LJQANCHMSA-N 446.577 2.006 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)s1 1742729574 ULVXWNLRGTXVFJ-CQSZACIVSA-N 436.545 2.276 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCCCCO 1743230023 BBAAAWOSQMSGLZ-QGZVFWFLSA-N 426.569 2.406 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1748818805 GTIMLNBGEYSKLW-SFHVURJKSA-N 441.582 2.309 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1748907513 WHXNHEIUNBFDGG-LJQANCHMSA-N 438.576 2.145 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccc(CS(C)(=O)=O)c1 1748956587 UHVWNSDSMFCEBY-UHFFFAOYSA-N 439.541 2.019 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1748991043 PCAOUXYLIMWTIH-FQEVSTJZSA-N 436.560 2.183 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(CCO)Cc1ccccc1 1749115201 NFZUWMRWOXKCLI-WOJBJXKFSA-N 427.549 2.396 30 10 IEEE C=C(C)Cn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OCC)CCOC1 1749207956 WDOLXGIRDAKPTF-KKSFZXQISA-N 449.577 2.351 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1749650354 UAEMUVLPZCDJGJ-LPHOPBHVSA-N 428.493 2.423 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCCO)C1 1749704957 DALVIMWZWAVAQZ-KRWDZBQOSA-N 438.532 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Cl)ccn1 1749731696 IQDAGPAMVSQZKD-HNNXBMFYSA-N 439.969 2.458 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1750060075 DCPNJISLRJJQTN-QLFBSQMISA-N 438.529 2.091 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1750075770 HMMHVEIAQJLABD-YESZJQIVSA-N 445.568 2.267 30 10 IEEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCN(C)CC1 1750260590 GWXPZTIWKHGMPC-QGZVFWFLSA-N 431.610 2.187 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1751834292 CAZIBRKAKZNYBQ-JPYJTQIMSA-N 435.532 2.188 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)[C@H](C)CCC 1760198458 CGJSJXVKWOLHPS-GOSISDBHSA-N 435.528 2.342 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1760235849 ZAZLVWXYPHEACC-ZWKOTPCHSA-N 433.553 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1ccn(-c2ccc(F)cc2)n1 1760247505 DEZWSUQECQXVTH-UHFFFAOYSA-N 446.490 2.389 30 10 IEEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760414824 DXPDBNPKRXXRJZ-IBGZPJMESA-N 427.549 2.453 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760417033 SSZPUJOFNRIQFY-BBWFWOEESA-N 426.583 2.228 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CSCCS1 1760500771 WNWNGNSEJVXIRQ-OAHLLOKOSA-N 434.591 2.413 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760551394 DHZGBCHSVOYBGV-VQTJNVASSA-N 441.557 2.280 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C)(C#N)CC3)n2CCCn2cnnn2)cc1C 1761805433 KKSOKJGDIDWPQN-UHFFFAOYSA-N 448.535 2.354 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCN2CCOCC2(C)C)cs1 1762277992 KQHGBIUBNBZOSJ-UHFFFAOYSA-N 429.594 2.485 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1C[C@H]1C 1762292590 WGDBXGHZIGRVGR-AEFFLSMTSA-N 436.564 2.446 30 10 IEEE CC/C=C\Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1765316880 CSMOQYOFGCITCB-UTCJRWHESA-N 430.472 2.427 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCOC1 1767062435 SYHTZXFICDXLEY-VQTJNVASSA-N 438.532 2.180 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1767223555 UGAYIQJNYMRUNZ-DVSFIDLUSA-N 430.553 2.398 30 10 IEEE COc1cc(C)ccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1768254740 JPNMLNRICLOWAR-CVDCTZTESA-N 441.532 2.413 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1769475583 LDMKFTBTJCEDIM-GCJKJVERSA-N 427.505 2.007 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCOC(F)F)cc1 1771534897 SSRWEWSLYVVBLV-NRFANRHFSA-N 446.458 2.074 30 10 IEEE O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)ON1C(=O)c2ccccc2C1=O 1772791838 ZREBXWWNCYMQMJ-UHFFFAOYSA-N 443.481 2.173 30 10 IEEE CCOc1ccc(CN2C[C@H](C(=O)NCC3(C#N)CCOCC3)CC2=O)cc1OCC 1849953739 NUZFFIRQACKQOP-GOSISDBHSA-N 429.517 2.269 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1849992642 NDIKDFGNWQYWDG-UHFFFAOYSA-N 428.496 2.210 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCCN3CCS(=O)(=O)CC3)ccc21 1850931417 JLADAPBQFRPPAM-UHFFFAOYSA-N 449.573 2.073 30 10 IEEE CN(CC(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1)c1ncc2c(n1)-c1ccccc1OC2 1851393647 LCZOHSHPZKPZHK-QGZVFWFLSA-N 444.451 2.102 30 10 IEEE CN(C)C(=O)[C@@H]1C[C@@H](OC(=O)c2nc(C3CC3)ccc2C#N)CN1C(=O)OC(C)(C)C 1852340375 BDRXVPBJUJFYLF-WBVHZDCISA-N 428.489 2.454 30 10 IEEE CCN1CCN(CC(=O)Nc2nncc(-c3ccc(Br)cc3)c2C#N)CC1 1852484111 GNAVZFKVCFHOJA-UHFFFAOYSA-N 429.322 2.354 30 10 IEEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 1852898390 WKBGZWDGXRFEMS-FQEVSTJZSA-N 430.512 2.179 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)c(C)c1 1854009390 CDLRFPTUWGTGSZ-UHFFFAOYSA-N 425.510 2.465 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1 1854628776 MXGKKEZBSBKOQL-UHFFFAOYSA-N 425.510 2.329 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1(C)C 1856053852 CLKHCPUYYVVOJE-QGZVFWFLSA-N 437.537 2.004 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCCC2 1856219466 VNVGWKQMAOGYKI-UHFFFAOYSA-N 439.921 2.325 30 10 IEEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1856553477 NFCRNDZHLJYTJR-UHFFFAOYSA-N 437.827 2.411 30 10 IEEE N#CC1CCN([C@H]2CCN(C(=O)C3CN(c4nc5ccc(F)cc5s4)C3)C2=O)CC1 1857305562 HLJGNAZSUWGPMJ-KRWDZBQOSA-N 427.505 2.235 30 10 IEEE N#CCC(=O)N1CCCC[C@@H](N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1857435506 KYBWDZKCJYQCIY-MSOLQXFVSA-N 437.949 2.323 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858337699 PSQVYVZCPKYNGP-KRWDZBQOSA-N 449.554 2.087 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cccc(O)c2)cc1OC 1862571270 IPGXKIMKSJNCQU-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)Cc1coc(C)n1 1869018262 XNMWIIAMFQWGQE-NRFANRHFSA-N 425.485 2.379 30 10 IEEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(N(CC)CCO)ncnc21 1873595394 ARRNCHXHZBPPCV-UHFFFAOYSA-N 439.516 2.253 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)CN3C(=O)c4cccc5cccc(c45)C3=O)C2)c1 1890820142 ASBHOZDUWANJKO-QGZVFWFLSA-N 426.432 2.382 30 10 IEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(C#N)c2)cc1 1891767172 KDKCVMUSOOUGAO-UHFFFAOYSA-N 447.513 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)CC2(C#N)CC2)C1 1982314179 KPPXWKWBQGTSGJ-UHFFFAOYSA-N 435.546 2.104 30 10 IEEE CC[C@@H](C#N)S(=O)(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1994784705 YILRCMKCNLNEBF-HNNXBMFYSA-N 448.586 2.406 30 10 IEEE C=CCn1ncc(N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2106008174 CTUNONLDDHUNPW-YPMHNXCESA-N 429.315 2.286 30 10 IEEE C#Cc1c(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cnn1C 2213012631 JVQLWFVIKQCRSU-INIZCTEOSA-N 426.473 2.367 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#CCCO 2229113287 GDHJUDBLLAMHTN-INIZCTEOSA-N 425.323 2.387 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247835909 SJMJLUXKQDAXLC-ITGUQSILSA-N 435.355 2.037 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)co2)OC1(C)C 2255546023 ZCIXEZQERRIEFX-CYBMUJFWSA-N 430.232 2.252 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2255617096 UAIAISDUUHYMSJ-ABNGFUMUSA-N 438.330 2.439 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631774 DOROKYIZIZJNEA-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE COCC[C@H](CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255703748 XLEHCXALVLQSQW-CQSZACIVSA-N 438.330 2.238 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2255823688 XQGJIONEDMVCSM-JKSUJKDBSA-N 432.326 2.390 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(=O)N(C)C)Cc1ccccc1 2255833047 WGWZMGHIUFVARZ-UHFFFAOYSA-N 443.378 2.481 30 10 IEEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255880201 AZVPXNPIBBTTIJ-CYBMUJFWSA-N 434.346 2.197 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C1CNC1 2255932480 CHZOYEKUMMGBJZ-UHFFFAOYSA-N 442.390 2.457 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256623630 GFWBZYOZYIIPKR-WMLDXEAASA-N 434.342 2.049 30 10 IEEE Cc1ccc(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256674258 JEBVKLZAQDRZLZ-HNNXBMFYSA-N 434.342 2.366 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CCOC[C@@H]3OCc3ccccc3)nc2)OC1(C)C 2267222068 VYDZXHLUWRPQAW-FPOVZHCZSA-N 438.333 2.485 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267243713 ZMVNWIXTIZUNJV-QZTJIDSGSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267477749 PDRFWKBMIRTSKX-HOTGVXAUSA-N 443.353 2.320 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267514542 ARYCHERCQVUQIR-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267540332 WSSZMTNQGYSNMA-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267610401 ZXIUIMUQXCBCDY-CABCVRRESA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCOC1 2268717333 KLKSVUBJDDUPCS-YOEHRIQHSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)(C1)C2 2268723709 YXNZUGWASMCLFN-UHFFFAOYSA-N 445.325 2.146 30 10 IEEE CC#CCN(CC(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)C(=O)OC(C)(C)C 2300542396 LOURCCLTPBYCIT-YESZJQIVSA-N 439.553 2.027 30 10 IEEE CN(CCN1CCC(C(=O)NCB2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2301439553 GEAWEFJFJWOVRJ-UHFFFAOYSA-N 425.379 2.313 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)n1 2315400380 VRTKGYCJSIRPMC-IRXDYDNUSA-N 433.358 2.154 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(F)cc1F 2330785758 CQHGYCRIIUMFRN-UHFFFAOYSA-N 425.461 2.366 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C 2337292660 SMLXSBCNEUALSS-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C#CCN(C[C@H](NCC)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2353688399 QQHKGACZUPHERQ-ZDUSSCGKSA-N 430.347 2.208 30 10 IEEE CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)o1 59182356 USTLVXNAAHOQKT-YBEGLDIGSA-N 446.441 2.050 30 10 IEEE COC(=O)CC1(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CCS(=O)(=O)CC1 439338534 WFIZBAKBHIKJJH-UHFFFAOYSA-N 441.509 2.113 30 10 IEEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 441007413 WLPYAXSONCTJGN-UHFFFAOYSA-N 426.489 2.311 30 10 IEEE N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 444993824 ZQPKPNAXBFIBNE-UHFFFAOYSA-N 435.410 2.459 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCO2)cc1 460927609 JJMPFIPONTXHBQ-ROUUACIJSA-N 446.577 2.325 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 463670491 SBJWDJYERGJUEH-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc1 481068148 HSJLAIBKAAFHSX-UHFFFAOYSA-N 445.516 2.313 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 508794191 KILWUMVAWDYYQK-SJORKVTESA-N 430.578 2.003 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(Cc3ccc(F)cc3Cl)CC2)CC1 512416427 TWWZZHIFXGJSNP-NRFANRHFSA-N 435.975 2.289 30 10 IEEE COc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 517353953 XXHHJEIFJKBTPF-RTWAWAEBSA-N 425.510 2.203 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 558177021 WKUKBCACUDZTPY-OAQYLSRUSA-N 437.569 2.477 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 558982347 KWDUQCLAPOXLJQ-UHFFFAOYSA-N 447.543 2.296 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)CC2)nc1 604366619 YTMFRJGIGBLADY-UHFFFAOYSA-N 428.496 2.195 30 10 IEEE COc1cc2c(c(OC)c1OC)CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC2 611089767 RMDHSZLZWNCBBA-UHFFFAOYSA-N 430.526 2.459 30 10 IEEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1C[C@@H]2CC[C@H](C1)O2 670221088 NQECXZXRDFBEEP-HDICACEKSA-N 431.562 2.351 30 10 IEEE Cc1csc([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 727949163 IUXXTVGFSGFGRN-OETDOYICSA-N 449.558 2.080 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H](C)OC)c1 730144182 HUKHJOZZNJEZHU-VQIMIIECSA-N 430.574 2.092 30 10 IEEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cccs2)C1=O 730144490 NSQRJHNDEAAHLV-JQBIEYAESA-N 445.614 2.254 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CCN1C1CC1 732707135 VALJKEQIDDBRNK-MRXNPFEDSA-N 442.413 2.241 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCc2cnc(C3CC3)nc2)C1=O 755566500 MOODYISVWXYWFH-MRXNPFEDSA-N 440.529 2.068 30 10 IEEE CC(C)(C)c1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 756779313 IGAINHYHZHXAPI-FQEVSTJZSA-N 434.544 2.366 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 763769753 KMRMPXJDWLJYLX-IEBWSBKVSA-N 432.498 2.322 30 10 IEEE COc1cc(C(=O)CCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc(OC)c1OC 783336006 KKDXDPKVYGIUTL-UHFFFAOYSA-N 446.481 2.193 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)n1 789051353 CUBPWRULKYUJHT-INIZCTEOSA-N 438.488 2.494 30 10 IEEE C=CC[C@]1(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790764611 ABABBAQCCWHEEB-YADARESESA-N 448.608 2.487 30 10 IEEE N#Cc1ncccc1OCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 794492669 WRVBFFFCZHKITJ-YVLHZVERSA-N 426.429 2.324 30 10 IEEE C[C@H](CC(=O)NCCN1CC=C(C(C)(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 803122583 SZYMDAPRAZDTQH-MRXNPFEDSA-N 432.590 2.298 30 10 IEEE C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H]1CNC(=O)OC(C)(C)C 804158736 AARCJIVWHOLQGD-KBXCAEBGSA-N 432.496 2.465 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2nccc(C(F)F)n2)C1=O 807938641 FDPVDTWUDGMDDW-AWEZNQCLSA-N 449.439 2.411 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)c2cnn3c2CCCC3)cc1Br 809123664 HDJHGVAXPDNMCK-UHFFFAOYSA-N 427.255 2.111 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1130455832 IPISUKVYSJGYKJ-ZFWWWQNUSA-N 440.422 2.483 30 10 IEEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c1 1132583048 IIRIKPKMWIQCLJ-QFIPXVFZSA-N 441.871 2.362 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1134907297 CMUHXJBPSXFRIK-UHFFFAOYSA-N 429.517 2.404 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1138108336 MDAUTSRBYCEWMH-PMPSAXMXSA-N 440.541 2.180 30 10 IEEE CC(C)(CO)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1156865321 CGTKAJNQLYURSQ-FQEVSTJZSA-N 429.542 2.381 30 10 IEEE C#CCN(CC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC)C1CSC1 1171876228 WHUVKQADTZKIPK-UHFFFAOYSA-N 433.574 2.310 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)c1 1191332973 DLOPCXKDCQUZRG-UHFFFAOYSA-N 428.329 2.312 30 10 IEEE C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1191927681 CTMSIRAPVKPBQU-AZUAARDMSA-N 425.533 2.487 30 10 IEEE C=CCCOCCNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1207587819 WPFBJYKFYGRJGK-UHFFFAOYSA-N 425.327 2.442 30 10 IEEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1213276100 FKZRBRVEVSDDQE-KSZLIROESA-N 442.603 2.060 30 10 IEEE CS(=O)(=O)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1C(F)(F)F 1279036761 MXEHPBNHVNOZMJ-CHWSQXEVSA-N 439.253 2.297 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)c3nc(S(C)(=O)=O)ccc3Cl)c2C#N)C1 1280417768 NCMVEDJDGBBCPP-UHFFFAOYSA-N 438.918 2.229 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1286450205 OEOASUCZUWAJHK-HXUWFJFHSA-N 435.450 2.310 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(CC)CCS(C)(=O)=O 1286556144 ODHSRWBUWWRHME-BZSNNMDCSA-N 426.583 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286559243 VQPLMSWSKCXUHF-LPHOPBHVSA-N 425.599 2.072 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1286646944 YEYMGFWHJUJKHR-XBBWARJSSA-N 448.614 2.263 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H]1CC 1286788296 UIUVIHOSRKFJFB-HKUYNNGSSA-N 438.580 2.379 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC(C)(C)[C@@H]1C 1286792994 OIVOFWGUABESQB-INIZCTEOSA-N 429.521 2.172 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2[N+](=O)[O-])C1 1289437845 SZDOCQBURLTSRO-ATUDVECKSA-N 446.529 2.087 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc1B1OC(C)(C)C(C)(C)O1 1290392839 JYNWCZFTZPEZSG-SFHVURJKSA-N 430.379 2.336 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1 1290985046 CYHRDVYZFLAYCF-QGZVFWFLSA-N 431.500 2.033 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1291971399 TXCTZSLGAUEGRE-JTSKRJEESA-N 429.521 2.064 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1292614762 MTMHWRREYCOJIZ-IEBWSBKVSA-N 438.532 2.063 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1293031190 YYHJWETVDXHVHX-OALUTQOASA-N 435.532 2.159 30 10 IEEE CCN1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296203842 PWAWEFDIVLYLAV-HSZRJFAPSA-N 440.571 2.124 30 10 IEEE C#Cc1ccccc1CC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1298848582 WDFCCZNJOQOXRO-UHFFFAOYSA-N 430.551 2.218 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1300357210 JLCMRXMJSVCYBW-INIZCTEOSA-N 426.521 2.304 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300485840 ZJSHYWNQJOIKDL-UXHICEINSA-N 442.585 2.362 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1300591487 RGGLMZPGDQIZDF-UHFFFAOYSA-N 441.333 2.069 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1300596771 WIBRLHDJSXMYNE-KRWDZBQOSA-N 432.569 2.477 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300611252 AWSFOBKYIWBPNW-JOCHJYFZSA-N 430.574 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C3CC3)CC2)CC1 1300711320 XVTLYTVFJPUELN-UHFFFAOYSA-N 440.592 2.353 30 10 IEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1300843919 HXXYLYLCTLGGPW-CYBMUJFWSA-N 445.321 2.326 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C)c1ccccc1 1301003149 DZWUOYVGWMXZMA-CMKODMSKSA-N 444.605 2.275 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1301071207 ZOFCOLSDYMCCSI-OFNKIYASSA-N 433.597 2.443 30 10 IEEE COCCOCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302230434 UMMHCJDZLPLNQS-UHFFFAOYSA-N 425.537 2.192 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1303699879 MMNVSPLAQDVANC-GOSISDBHSA-N 441.543 2.360 30 10 IEEE C[C@H]1CCCN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1305016785 CALPTUAPUAKXMF-HKUYNNGSSA-N 448.637 2.431 30 10 IEEE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N(O)CCCCc1ccccc1 1306894772 QETWJQISWCOERS-UHFFFAOYSA-N 434.514 2.367 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(Br)cc1C 1309079191 JJHPEZDNYDNHHW-NSHDSACASA-N 440.768 2.222 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1COc2cccc(Br)c2C1 1313198686 WCLNGIYAVQQOKB-NSHDSACASA-N 433.310 2.204 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1315813077 PBBULBZYDFETNL-QGZVFWFLSA-N 425.468 2.424 30 10 IEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1 1316074261 CDCKIRWDDGDDOU-HSZRJFAPSA-N 437.548 2.437 30 10 IEEE COCCN1C[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCC(C#N)CC2)CC1=O 1316121860 HTHJUXBWZMZQBH-NRFANRHFSA-N 436.560 2.298 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2Cl)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1344051987 UTJINOKLPQLOAV-MSOLQXFVSA-N 448.976 2.328 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCO2 1358984058 GOLBBOYRYFJEHU-UHFFFAOYSA-N 442.479 2.208 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC2(C1)OCCO2 1358999070 BWKBUBIPFKVVJY-AABGKKOBSA-N 428.533 2.008 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359215132 VIQCNRZLBYHUHP-HNNXBMFYSA-N 430.582 2.326 30 10 IEEE C=CCCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1359220592 CZHQIAIQLCWUMH-QFIPXVFZSA-N 427.553 2.321 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1359301871 NWYULRCEBJAAGN-UHFFFAOYSA-N 426.540 2.375 30 10 IEEE CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H](C)CS(=O)(=O)CC 1360303445 DMCOGLPVSFTZJN-HIFRSBDPSA-N 425.938 2.236 30 10 IEEE Cc1cccc(CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1361061121 DWECFBCUSRCDBC-BKBKCADHSA-N 436.516 2.253 30 10 IEEE COC1(C(F)(F)F)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1451701906 ZHKBCWLKNRVNSR-OAHLLOKOSA-N 438.406 2.333 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1468540913 MXWKMKLYQFWJKN-YVHKJVDXSA-N 430.505 2.395 30 10 IEEE C#CCN(C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)C1CCN(C)CC1 1470893186 JCQTTZBQQLZBFA-UHFFFAOYSA-N 434.540 2.457 30 10 IEEE COC1(OC)CCOC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1473762111 HTUVPXPMSADZNF-IBGZPJMESA-N 430.480 2.411 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](OC)C(F)(F)F 1499307306 JLAPRIKGSATWGI-JKSUJKDBSA-N 436.438 2.499 30 10 IEEE N#Cc1ccc(C2=CCN(c3nnc(-c4cnccn4)n3CCOCCCO)CC2)cc1 1505316651 FWUFUSKKOAZSFH-UHFFFAOYSA-N 431.500 2.299 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507626691 BILYEXZRBGYXOA-IBGZPJMESA-N 438.557 2.085 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CCCC1 1507654177 XEIHUHJYTYESSJ-IBGZPJMESA-N 432.590 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(OC)ccc1OC 1507661342 SNBMPFXBONKZSL-DEOSSOPVSA-N 438.528 2.459 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCc1nnc2n1CCCCC2 1507710396 OUHOUMNLSHIEQH-UHFFFAOYSA-N 434.548 2.295 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1507725252 RVURFFVYXVMROT-OAQYLSRUSA-N 444.461 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)c2ccccc2)CC1 1507738759 XTPKEECWLADHBD-NRFANRHFSA-N 445.527 2.089 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507916214 LZVXWQZKEAJCSV-KRWDZBQOSA-N 425.599 2.246 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1 1508040299 VXXKWLPHCNGIAK-INIZCTEOSA-N 440.516 2.340 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099419 WVGKMVUHBKPYAM-CLCXKQKWSA-N 445.486 2.256 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)C1 1508118831 XLGIONOPFAKEAY-QGZVFWFLSA-N 439.969 2.271 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508163425 WFDHHCMYGAMRAU-SFHVURJKSA-N 430.553 2.483 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCCO2)C1 1510289946 GAPKFYIOCUJTHZ-GCJKJVERSA-N 430.553 2.116 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)C(=O)OC(C)(C)C 1511888089 RAEDSRGBFQMDKP-UHFFFAOYSA-N 426.525 2.047 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1514495273 FUBVTOHKULPJRF-LJQANCHMSA-N 447.547 2.126 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CCOCCCO 1517362840 IRQLZFPHNADYLO-UHFFFAOYSA-N 437.342 2.185 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1519515746 UKSWSVKTIMYGML-QAPCUYQASA-N 433.534 2.089 30 10 IEEE CS(=O)(=O)C1CCC(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1538072279 LRGKLBOYIZPWTB-UHFFFAOYSA-N 429.336 2.419 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539059434 FSIHAJRKNONIEC-KNQAVFIVSA-N 437.592 2.076 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1539065236 CTQIVRHFWOGDBU-IRXDYDNUSA-N 439.516 2.104 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1539223934 ACSYDQAILARHNT-QKNQBKEWSA-N 434.606 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(F)cn1 1539304634 DFYQUVJGZMMLKB-UHFFFAOYSA-N 437.500 2.394 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2C)CC1 1539428455 RPPXQGMAEITUKK-UHFFFAOYSA-N 429.528 2.232 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539874410 FPPWPVVKCZWXGL-NQIIRXRSSA-N 438.594 2.157 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C(C)C)N2CCCC2)CC1 1539874658 OASVNRUNONFDEE-MJGOQNOKSA-N 438.642 2.411 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539985683 NNEUTYYAVMEVKJ-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1540154875 FPVWBACQNXPBMP-OAQYLSRUSA-N 438.594 2.322 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C(=O)NCC(=O)OC)cc3)n[nH]2)c1C 1540570321 VVBXSTOLTNLRCR-UHFFFAOYSA-N 436.472 2.231 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1540624160 PKXSPWBWXYIHJM-UHFFFAOYSA-N 434.269 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](COCC)C1 1540867538 ZGTLBRFPDZJHJC-KRWDZBQOSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1540873136 NVSNZXBRLHNVPX-MRXNPFEDSA-N 443.621 2.247 30 10 IEEE C[C@@H]1OCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1C(F)(F)F 1540929597 KSLVOUFYHPSBGT-GUYCJALGSA-N 445.463 2.137 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1541116051 IOLKXFTYXARHFZ-ZBFHGGJFSA-N 434.541 2.029 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1541233626 OMDQSCCLDPCIHH-WKRVVKTRSA-N 443.573 2.360 30 10 IEEE CN1CCN(Cc2cccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)CC1 1542277249 XXEVPFVDPIPODF-UHFFFAOYSA-N 430.505 2.123 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1545120785 BKXBJBAYUHXINW-GOSISDBHSA-N 440.548 2.065 30 10 IEEE Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)cc1S(=O)(=O)NCC#N 1556603259 ACOQJAAXXQXYHY-CQSZACIVSA-N 441.513 2.261 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 1557721991 CCDWDIDWCXUQFN-UHFFFAOYSA-N 432.933 2.229 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1558463852 AHVKNKQIEAQZIV-KRWDZBQOSA-N 427.530 2.229 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)C[C@@H](C)CC)nnc12 1558999904 VTBPTOHVIYRODC-LSDHHAIUSA-N 429.546 2.236 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N1CCn2c(nnc2C(F)(F)F)C1 1586530002 DKYWXAJTOHLKGI-UHFFFAOYSA-N 430.184 2.352 30 10 IEEE N#Cc1ccc(OCC(=O)NCCn2cc(Br)cn2)cc1Br 1587016122 CNXHMBMJOGNBAU-UHFFFAOYSA-N 428.084 2.475 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1588011946 PFMWKIDDGQZOIB-JOCHJYFZSA-N 433.560 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(O)(CC)CC 1588218831 DSDRKRXLUBXVEX-UHFFFAOYSA-N 432.528 2.206 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCCN2CCOCC2)CC1 1588848939 RKXSDVZWCOWCAL-UHFFFAOYSA-N 436.604 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C/C=C/CC)CC1 1588891006 KSBMGPLKOPGPOF-MNQSQUENSA-N 429.565 2.251 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1)C1CC1 1595058578 PWXANLORQFREER-JRMCHAMMSA-N 443.573 2.479 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1595302714 CYAHUYZEYWPKNS-MOPGFXCFSA-N 425.533 2.474 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1595522700 IQNUNJQDTNDICZ-UHFFFAOYSA-N 447.543 2.371 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1595561915 GZJXJOQXGHJQFY-SFHVURJKSA-N 440.577 2.282 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)C1 1595699384 NAYJLHHFWPMEPS-LJQANCHMSA-N 434.583 2.389 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)C1 1595723039 QFDYDQWGZVPQJZ-ICSRJNTNSA-N 446.573 2.349 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595878599 QMMSOPSSMZWSIP-SFHVURJKSA-N 436.626 2.086 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cccc2[nH]ccc12 1596789047 FFDYNEYVRRWTOH-GJZGRUSLSA-N 429.550 2.208 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1596806035 CALFHFZXXRNWBN-GHTZIAJQSA-N 448.575 2.355 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1597252196 LHMCDAHKKGGJPQ-UHFFFAOYSA-N 447.474 2.153 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1611061414 GYUZILMHAKSALF-SAABIXHNSA-N 434.558 2.413 30 10 IEEE CC1=C(C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1611835436 RGEPCYYDVQYVGI-JLUOLNIDSA-N 426.521 2.245 30 10 IEEE CO[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1618966670 LTYKSCNKAHARGQ-ARFHVFGLSA-N 428.459 2.274 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1619937160 BKRQRSWNQOCNKY-UHFFFAOYSA-N 433.516 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 1624669718 VZGKPSVZVSXMRY-DEOSSOPVSA-N 442.560 2.355 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c1 1625248576 JUDXOFSVSNLUAU-UHFFFAOYSA-N 435.502 2.173 30 10 IEEE C#CC[C@]1(C(=O)NC[C@@H](Cc2ccncc2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1627293844 SYCSEORCTARQSV-WZONZLPQSA-N 429.517 2.323 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 1627466732 GSELKCVDHZXFNK-GOSISDBHSA-N 425.489 2.234 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704053 CALGBWSNDVKZCX-HYBUGGRVSA-N 442.560 2.399 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)C1 1631964049 GYQSEQIIINEFSJ-NRFANRHFSA-N 446.479 2.498 30 10 IEEE C=C(C)[C@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)OCC 1632912999 WOEBYGFAISJPPD-MHORFTMASA-N 437.537 2.399 30 10 IEEE C=CCN(C)CCN(CC)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1634640879 QBRDSNWQEDFUST-UHFFFAOYSA-N 432.384 2.279 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c1 1635705001 TWFHURPUDRHFRN-QYZOEREBSA-N 432.546 2.275 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1635905518 BPZXPDTVKQFDOD-MRXNPFEDSA-N 433.551 2.421 30 10 IEEE Cn1ncc2c(N3CCN(C(=O)CSc4ccc(Cl)cc4C#N)CC3)ncnc21 1640956913 BRATXFRZOFBTSR-UHFFFAOYSA-N 427.921 2.329 30 10 IEEE N#CCCn1cc(C(=O)N2CCC(N3CCOCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1641591431 WZYNVXMJTJEJIX-UHFFFAOYSA-N 438.488 2.309 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)[C@H](C)O)c1 1642581449 FZRVMBLAZGQBBT-IFXJQAMLSA-N 438.933 2.193 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1643499402 ROIXLQFMFXTXCP-JOCHJYFZSA-N 440.525 2.037 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1 1648316446 REOIDNMAHRFJRJ-VAMGGRTRSA-N 435.613 2.161 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 1653058592 QJWWTABWOWCYRH-AEFFLSMTSA-N 449.573 2.221 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 1653058593 QJWWTABWOWCYRH-FUHWJXTLSA-N 449.573 2.221 30 10 IEEE CCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1S(N)(=O)=O 1659082867 GGZMMKNNJCWZAB-UHFFFAOYSA-N 431.493 2.261 30 10 IEEE C=CCN(Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1663845703 ZJPLMVLCTDLAGR-BBRMVZONSA-N 445.379 2.138 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 1683762497 BLPUCOPKCFBLAD-PMACEKPBSA-N 438.494 2.476 30 10 IEEE C=CCCSCCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1683853904 NDNUVGYNWNJNIA-OAHLLOKOSA-N 435.612 2.019 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2)CC1 1689888797 QYHMPNSUQBJVQK-NRFANRHFSA-N 436.560 2.234 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689895386 RZVGQBOLTALUCY-IBGZPJMESA-N 433.553 2.330 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COc2ccccc2)C1 1689901310 IQKOZXFFDOLTFU-NRFANRHFSA-N 437.544 2.488 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1690001309 JCADVDKLVJJRNE-MRXNPFEDSA-N 434.479 2.075 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCNC(=O)c2occc2C)CC1 1690125312 FRGBPRLBPIZNKZ-UHFFFAOYSA-N 426.565 2.343 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1690176812 BDBGIKSGWVPKLK-UHFFFAOYSA-N 442.589 2.095 30 10 IEEE C#CCSCCn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OC(C)C)CCOC1 1690185038 RRJWBEKATQLZCV-NRFANRHFSA-N 437.610 2.036 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1690451679 MVIVQOXUMMECHU-SJORKVTESA-N 435.598 2.362 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CC1 1690607920 WQLRTRWWFQHBMB-UHFFFAOYSA-N 428.518 2.140 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1690669245 ZBVRHPZRRZSXON-CYBMUJFWSA-N 425.443 2.439 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1690744348 NDXVQFXYKKZEHK-MRXNPFEDSA-N 428.624 2.352 30 10 IEEE Cc1cccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)c1 1693169887 FHDCBRBDPHRENI-HSZRJFAPSA-N 433.491 2.444 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1697624748 ZJUKLQQOPQJALF-CQSZACIVSA-N 438.513 2.404 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1697978697 ZRFFQPZNARIVEJ-UHFFFAOYSA-N 448.531 2.272 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705530710 RZSDHIVZDWCYNP-UHFFFAOYSA-N 437.454 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NC1CCCCC1 1705590333 IIDZILCZIIGEOK-XMMPIXPASA-N 441.576 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)N(C)C 1705592946 ZGAUMMABJGVXRR-UHFFFAOYSA-N 437.928 2.092 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCOCC1 1705598277 FWTLYWVCXLZRIN-UHFFFAOYSA-N 433.560 2.342 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)nc1 1705627074 UCSMMHUQWXHGGM-UHFFFAOYSA-N 443.511 2.030 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705734806 YPDZUTBCVFGJSZ-UHFFFAOYSA-N 449.559 2.163 30 10 IEEE C=CCn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1[C@@]1(OCC)CCOC1 1705894109 YNDFZIRMIOTHBI-OAQYLSRUSA-N 428.493 2.351 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)CC)C1 1705920823 FUJWFPZSXLFLPB-ZOKDDAQRSA-N 432.546 2.266 30 10 IEEE CC(C)[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1706345905 QUHCPCWSJMXXAF-ABDBUPHLSA-N 436.516 2.333 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1712455435 XEGGTKSGHYHUOJ-UGKGYDQZSA-N 426.521 2.435 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)CCS(C)(=O)=O 1722316866 NKZWXSWJMRJCJE-IBGZPJMESA-N 432.546 2.465 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722367008 LMGDZXVFHJLMCB-YVWKXTFCSA-N 446.548 2.352 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722528369 ZUSVUBYPFOWRDP-SFHVURJKSA-N 448.612 2.388 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722530149 OEMOKELKXTXFKH-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722696965 VPLGBFJVDYIRPK-KRWDZBQOSA-N 435.507 2.497 30 10 IEEE CCOC(C)(C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1728733146 BJGFXCMHPGWMQP-AUSIDOKSSA-N 446.596 2.310 30 10 IEEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1729233974 QAPQOJFFKPTINB-ADSBAMQRSA-N 431.562 2.217 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1Cc1ncnn1C(C)(C)C 1729396363 DIHNQPQFCKWOLT-UHFFFAOYSA-N 447.547 2.303 30 10 IEEE CO[C@H](CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1729859234 PXMFSTMOJOVUSZ-QZTJIDSGSA-N 449.481 2.408 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)c(OC)c1 1730073735 RWGPCOBHAAAXMV-SFTDATJTSA-N 431.468 2.210 30 10 IEEE COc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)c1 1730250390 ZWSMXFQEOPHKHE-MRXNPFEDSA-N 441.513 2.338 30 10 IEEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCOCCCO)CCO1 1731187054 JBFDRIUJLWSUPF-INIZCTEOSA-N 437.953 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1740647078 NNILNIKRIIJOBJ-VWLOTQADSA-N 449.555 2.143 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740717866 BRFWYQVHBUHYOG-IBGZPJMESA-N 444.605 2.466 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)CC 1740733166 DYFRONANUDJRBA-JOCHJYFZSA-N 430.574 2.499 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCOCC2)C1 1740751196 YWVCYDOIACUDGE-ZWKOTPCHSA-N 449.621 2.500 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1740759656 KDJSOZSDZWDVIM-GHTZIAJQSA-N 448.589 2.340 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1740920627 SFTUVHJBWMGWOW-OAHLLOKOSA-N 437.529 2.458 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1740930089 GMBDXJUEGAIVDB-INIZCTEOSA-N 426.912 2.346 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](OC)C1 1740986896 KGRWVMICRHXCTC-CVEARBPZSA-N 438.525 2.383 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1741091726 BAMVPOFXXDSDGP-IBGZPJMESA-N 442.589 2.285 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1741136860 VRHOEBFBQLSRLT-MWDXBVQZSA-N 434.541 2.060 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CCCO1 1748858061 LHHQMSOWVXBZTH-FDDCHVKYSA-N 443.548 2.228 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1748968755 KGGUIDDDHYQIFD-IERDGZPVSA-N 434.924 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](OC)C2CC2)CC1 1749009644 DOTMQBUOHKLYRE-HXUWFJFHSA-N 425.508 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](OCC)C(C)C)CC1 1749014401 IQRINUQXDQEWPO-PMACEKPBSA-N 431.581 2.199 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1749216704 SLOPPMCZVULBMG-UHFFFAOYSA-N 449.577 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1749729219 DYQAOJKRYMWMAK-QGZVFWFLSA-N 445.524 2.155 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1749879335 ZEOSYLRNOGTTIP-KRWDZBQOSA-N 431.500 2.487 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1750080807 BCPDDHGDTZIRJC-PZJWPPBQSA-N 441.532 2.112 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1751090473 DYEZWXSNFCZKCG-QLCIJSRNSA-N 441.565 2.206 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760281834 YAJPBQLOYOZGPT-OALUTQOASA-N 441.557 2.182 30 10 IEEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760426772 DFSAKINBPFMIEC-GOSISDBHSA-N 442.951 2.026 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 1760523817 INVLJRDUGHXVTJ-INIZCTEOSA-N 444.511 2.056 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NCCC)C1 1760541835 ANFKVZPUZUTCJX-XLIONFOSSA-N 441.532 2.488 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1761362525 CVICSBWBHJZZOZ-PBHICJAKSA-N 427.534 2.038 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1761772991 PQGFIETYOBSQGE-XUTLUUPISA-N 433.472 2.404 30 10 IEEE C[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1762904567 NUDXLCOHZVODQM-GFGLJSBJSA-N 428.537 2.325 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CC 1766089645 HLOKNUMNDGNTAL-RBUKOAKNSA-N 440.548 2.469 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](COC)OC)c2ccccc2c1=O 1767159535 HXQOUIZDDLBVOR-HOTGVXAUSA-N 439.520 2.075 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1770486882 BJJNNQVKAXVLHR-VFNWGFHPSA-N 430.484 2.334 30 10 IEEE COCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771026218 DHFAWVWPEZPJMC-SFHVURJKSA-N 447.547 2.452 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCOCC(F)F)CCO1 1771539468 YVDRTTITGYSKDI-CQSZACIVSA-N 425.411 2.397 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCN(c3ccc(F)cc3)CC2)OCS(=O)(=O)O)cc1 1851495386 GDDJLSRCOWBTCU-OAQYLSRUSA-N 449.504 2.129 30 10 IEEE C[C@H](OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1851793783 WJKBHSWZHAWDMV-YJBOKZPZSA-N 446.504 2.421 30 10 IEEE COc1cnc(C(F)(F)F)nc1N1CCN(C(=O)c2c(F)c(F)nc(F)c2F)CC1 1852996732 CPGDSPVTJQHENI-UHFFFAOYSA-N 439.291 2.418 30 10 IEEE C=CCN(Cc1cnn(C)c1C)C(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1 1853578418 PRSWJGBUADEVFG-UHFFFAOYSA-N 425.562 2.461 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)[C@@H]2CCCCO2)c2ccccc21 1853997578 IDDXRXHXUJBSJG-SFHVURJKSA-N 425.466 2.196 30 10 IEEE CCC(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCC3)C2=O)C1 1855622968 MXSFGRGLTRERRX-INIZCTEOSA-N 428.558 2.362 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)c3sccc3F)C2)CC1 1857382803 OYFQWEICEUMOBX-OAHLLOKOSA-N 427.505 2.355 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCO)cc1O 1862574724 NURLKJZAHJELOG-FQEVSTJZSA-N 443.452 2.379 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(CC)CC1 1868795893 NZMNLXKOUUQPGD-OALUTQOASA-N 431.606 2.084 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2cccc(NC(C)=O)c2)cc(OC)c1OC 1870137545 QOSHOLFTIKWSIG-UHFFFAOYSA-N 436.428 2.375 30 10 IEEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870445232 VQGUBESBHZEGDB-UHFFFAOYSA-N 440.544 2.472 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccco1 1874335668 VKTWDEILLMWGAB-UGVMZYNRSA-N 432.550 2.438 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN3CCCCC3)SCC(=O)N2C2CC2)cc1 1889326786 XVMVERQYOWGTHC-GOTSBHOMSA-N 441.597 2.448 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2009819659 LZZWANYWFFXGRB-YKSBVNFPSA-N 427.545 2.407 30 10 IEEE CCOC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2010544674 VIDIIQQJCMNDGR-LJQANCHMSA-N 428.533 2.249 30 10 IEEE CCOC(=O)C1=C(COC(=O)C2(C#N)CCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 2059836086 IGOLLYKYUKTCMS-GOSISDBHSA-N 427.457 2.493 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2224134952 AAJHHBHTGVMRIO-DJIMGWMZSA-N 433.358 2.457 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CS)C(=O)O 2229101968 SYKBGAOBLZZFPS-OLZOCXBDSA-N 447.351 2.384 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232271806 VOMPRMWQRMPQOU-KRWDZBQOSA-N 447.385 2.497 30 10 IEEE Cc1cnc(N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2232272240 ZXIMZLFBRDQJGR-INIZCTEOSA-N 445.369 2.250 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3CCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2243428081 FZUZIZBTMHMXPL-SFHVURJKSA-N 439.321 2.455 30 10 IEEE COC(=O)[C@@H](CCNc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255367401 CMUQEMKRNPEUDJ-CQSZACIVSA-N 435.330 2.249 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255619090 MRCLSYHURLIQEZ-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255808170 FTXYFOHLGXGZGY-RYUDHWBXSA-N 444.284 2.425 30 10 IEEE C=CCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255826454 AUFSKYCARJOMOY-UHFFFAOYSA-N 432.330 2.004 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)o1 2255847265 OQEWDGRGXHPLPD-UHFFFAOYSA-N 434.258 2.239 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2256911440 BGKXGPLXWBGGSB-KBXCAEBGSA-N 428.294 2.102 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126590 BRIDQBBMUKTLJQ-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267128894 VARGNTLSMCOUBT-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@]2(C)C1 2267144860 BUBIVKRAEPBHEJ-FPTDNZKUSA-N 446.357 2.038 30 10 IEEE CCn1cc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267180750 INNOASAANWYQJU-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267184641 NVLVGLKREXTDDC-GOEBONIOSA-N 448.373 2.143 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267185771 AGSWRDMNMSSNSX-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519499 HVXIGUCLFHAZJG-ICSRJNTNSA-N 436.365 2.066 30 10 IEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525341 CPCMOILMAZIHNE-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267591496 CRESBXGZMZNDTK-SFHVURJKSA-N 436.365 2.370 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268647116 XJTSYJWKDIPKLW-HNNXBMFYSA-N 447.341 2.345 30 10 IEEE Cn1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c(=NC(=O)OC(C)(C)C)[nH]1 2268650006 HFLNPCPLHFNHDF-UHFFFAOYSA-N 443.313 2.136 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 2293308504 QVXIAZIZKQUEDW-HSZRJFAPSA-N 442.537 2.355 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c(O)c2)CC1=O 2327895165 SSAQFLXXBPQKLN-AWEZNQCLSA-N 433.534 2.160 30 10 IEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc1 2330769920 BXPQRXHOVRXHSI-UHFFFAOYSA-N 444.561 2.346 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)n1C 2337190822 SAHPTHLNGNWPSX-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](N)C#Cc2ccccc2Br)(S(C)(=O)=O)C1 2351714595 LUFGENDJVJUWKQ-OAHLLOKOSA-N 443.363 2.162 30 10 IEEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 33268684 WGFDAMFPUGVEQB-UHFFFAOYSA-N 438.915 2.351 30 10 IEEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)c2ccccc21 33268690 LLFRTZOLBXXCHW-IBGZPJMESA-N 432.524 2.395 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)c(OC)c1 102741996 MSLOUULXIIYXAJ-LCPUNJGISA-N 425.485 2.472 30 10 IEEE Cc1cc(C)c(S(=O)(=O)/N=C2/C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c(C)c1 104491506 ZLUHDEVGSPPFHS-ULRLVEHFSA-N 442.537 2.157 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cnc3ccccc3c2=O)cc1 109935841 JGYKYKRVVPEMGE-LJQANCHMSA-N 433.493 2.198 30 10 IEEE C=CCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N2CCN(c3ccccn3)CC2)C1=O 170054854 OIAJAROZYMXXAH-UHFFFAOYSA-N 434.496 2.187 30 10 IEEE C#CCN(C)C(=O)C[C@@H]1CCNC[C@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1 215078268 MPZBBRZIMARMCY-FCHUYYIVSA-N 449.599 2.247 30 10 IEEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc3nc(C)sc3c2)c1C#N 427747885 VWFQAIYKFHWPPK-UHFFFAOYSA-N 432.531 2.079 30 10 IEEE O=C(CN1CCn2c(nnc2-c2cccnc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 428829299 MFYJIDCXQSCGLP-UHFFFAOYSA-N 440.429 2.342 30 10 IEEE CCOC(=O)[C@](C)(NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(S(C)(=O)=O)cc1 430275048 SPCXRDCGYIFNHZ-OAQYLSRUSA-N 447.513 2.178 30 10 IEEE C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC2(CC#N)CC2)c1 430349037 CQQKFYIAXZPYDM-OAHLLOKOSA-N 429.496 2.387 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 460781699 JVWKZYZKLOZJDS-GOSISDBHSA-N 449.533 2.459 30 10 IEEE COC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1ccc(C#N)cc1OC 463515317 JQIUDNJNZTWJOS-UHFFFAOYSA-N 436.442 2.180 30 10 IEEE CCn1c(CCC(=O)Nc2cc(C#N)ccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 477422450 JHCIKSSTPQTMRK-UHFFFAOYSA-N 426.502 2.144 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 479821651 BFANKXZIJSMQID-HNNXBMFYSA-N 432.933 2.227 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482561697 WVKAKPZVHAFSDY-KRWDZBQOSA-N 444.532 2.167 30 10 IEEE CCOC(=O)CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 484167636 BGHLOHMPMNUGIC-KRWDZBQOSA-N 428.489 2.344 30 10 IEEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 489996507 LXKLMLFJEDUTNH-HKUYNNGSSA-N 432.546 2.052 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 504636930 QDLQKNWMGMZOLB-SWLSCSKDSA-N 436.925 2.237 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 509014388 XEWQORDADYAFNH-PBHICJAKSA-N 435.370 2.389 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@H]1c1cccnc1 510791376 FPHYPJLOBZXLLC-RBBKRZOGSA-N 431.496 2.350 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@H](c3cccc(O)c3)C2)CC1 538353271 HESCWQYRZCESIX-UXHICEINSA-N 426.542 2.236 30 10 IEEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 543184095 BESWYOBMDSXLQN-UHFFFAOYSA-N 446.485 2.006 30 10 IEEE N#Cc1cccc(N2CCN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CC2)n1 546888729 KCQKEKIAXFPSQW-UHFFFAOYSA-N 437.847 2.387 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CCC(C)C)n3C[C@@H]3CCCO3)CC2)c1C#N 559125258 PUUJUQZXKOFMDT-SFHVURJKSA-N 426.569 2.286 30 10 IEEE Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585473160 POSQLRMYUWIVSW-UHFFFAOYSA-N 426.546 2.158 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@@H](CC)C(=O)OCC(C)C)nc1C 586304629 QBDGSDHFGQWZQW-OIJAAMDRSA-N 430.548 2.459 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)cc1 608957372 FDACDVQZKJEASJ-GOSISDBHSA-N 444.538 2.032 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C#N 726578088 UQCDOCGVALOADL-AWEZNQCLSA-N 445.548 2.239 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(F)(F)F)cc3)n(C3CC3)c2=O)cn1 728899254 WOJWKEGBTWNLDL-UHFFFAOYSA-N 444.438 2.383 30 10 IEEE C#CCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 729330688 CWKLLZIHNXXPLC-GOSISDBHSA-N 427.482 2.469 30 10 IEEE CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OC(F)(F)O2 730139120 PTOIVFPQNKTGGE-HNNXBMFYSA-N 442.488 2.418 30 10 IEEE COc1ccc(C[C@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 730227207 XTWANORXOFDJHR-HNNXBMFYSA-N 445.541 2.270 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 731493758 FNBBWZGBOWOYQO-ZDUSSCGKSA-N 437.855 2.370 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 732250356 FQCDVVCRNHBIRP-OAHLLOKOSA-N 430.509 2.265 30 10 IEEE CC(C)[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCc2ccccc21 741339661 ABLJTPRDVPDZAG-MRJHHRETSA-N 425.485 2.450 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 741732386 RVTMWFBEAGRKNX-HUUCEWRRSA-N 436.472 2.335 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CS(=O)(=O)c3ccccc32)C1=O 747785814 BQKPGKGWQIAWMV-HOTGVXAUSA-N 447.513 2.422 30 10 IEEE COc1ccc(Cc2nnc(SCCS(=O)(=O)c3cccc(C#N)c3)n2N)cc1 753945908 ASVOKUXVIPGPSQ-UHFFFAOYSA-N 429.527 2.029 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 756677390 ZLRMEKOSRGXKLD-ZWKOTPCHSA-N 444.557 2.166 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@@H](C(=O)O)C1 757348514 HJCSLCYCPGMLCY-FGZHOGPDSA-N 448.475 2.229 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 780857530 WYZCJKVXRSXTHF-FQEVSTJZSA-N 446.429 2.393 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 782525178 TVHWUTQSKPICHT-GOSISDBHSA-N 433.859 2.456 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(-n3cncn3)c2)cc1Br 790839427 OIGXMCQUYQPAFU-UHFFFAOYSA-N 432.259 2.020 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC#Cc1ccccc1 791307050 ICRIDCMPHNLZJW-IBGZPJMESA-N 433.913 2.468 30 10 IEEE Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 804030754 MLMHEIKJEJBLMW-UHFFFAOYSA-N 430.306 2.177 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812266964 HKFAQSPNOXUUEZ-RTBURBONSA-N 448.976 2.328 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C#N)cc1 823286863 AISISCAEIPUWMO-ZDUSSCGKSA-N 431.470 2.001 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(C)c(S(N)(=O)=O)c1 913242860 AFQYNMANVJENGU-OAHLLOKOSA-N 445.497 2.143 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 918571414 XZMDOFINNYRVGL-HXUWFJFHSA-N 443.525 2.403 30 10 IEEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1128833427 IKGXFATZSDQGPB-UHFFFAOYSA-N 432.542 2.339 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(Br)nc2n1CCOC2 1136488624 RSEXSHIMPRKMNV-UHFFFAOYSA-N 432.322 2.251 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCn3cnc(C(F)(F)F)c3C2)ccc1F 1153586660 YQMBEUPMTMAAQR-UHFFFAOYSA-N 432.399 2.161 30 10 IEEE Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178756598 BHFUDCPCDJYFJC-JXFKEZNVSA-N 432.933 2.212 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(C)(C)C 1197928969 BJPWZOIDJHUJFD-UHFFFAOYSA-N 431.602 2.132 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 1230384057 BJKCVCUOBDLOLW-IBGZPJMESA-N 443.548 2.315 30 10 IEEE CN1CCCC[C@H](CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1251377864 WFACBYABCZKXHS-MRXNPFEDSA-N 427.528 2.429 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286335851 MVGDHVNYGDEVQL-UHFFFAOYSA-N 442.951 2.332 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1286375998 BZHLRGXBXVSBAJ-NHCUHLMSSA-N 441.601 2.395 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286433073 JSPAFEXBMBULIX-CIEVZJJWSA-N 442.560 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCc1nnc2n1CCCCC2 1286463940 ORAUNGZVQMYJPR-UHFFFAOYSA-N 444.543 2.463 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H]2CCOC2)CC1 1286491109 FQWMYSALEHDYJV-IBGZPJMESA-N 439.535 2.400 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286493781 GOBMNRJNLWIWBY-HNNXBMFYSA-N 434.591 2.126 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286663606 NZGJDHYHQHOHMS-VQTJNVASSA-N 430.597 2.127 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286690617 MKMYIZBEPCXGPV-UHFFFAOYSA-N 443.596 2.483 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1286764261 KFJJZGWEEFLWPM-PGRDOPGGSA-N 444.605 2.495 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286790677 JDIQDAOEQPINPT-INIZCTEOSA-N 433.578 2.380 30 10 IEEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1287610583 ITNWUPAMLPPMOI-UHFFFAOYSA-N 437.548 2.036 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3c(C)nn(CCC#N)c3C)CC2)cc1 1289613813 WOEXXCDKDKBGMW-UHFFFAOYSA-N 446.529 2.429 30 10 IEEE C[C@H](C(=O)Nc1ncccc1OCCCC#N)N1CCN(C(=O)OC(C)(C)C)CC1=O 1292621182 HNMGLWAVYYHVIO-OAHLLOKOSA-N 431.493 2.170 30 10 IEEE C=CCOc1ccccc1CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1293525784 PPUKLJORKZKNSG-UHFFFAOYSA-N 436.555 2.388 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(N)c1 1294976787 UQECNJYDXNKEEM-UHFFFAOYSA-N 428.514 2.147 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)C(=O)OC 1297029768 NHTOHHKGEGWNPQ-QWHCGFSZSA-N 439.559 2.496 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCO[C@@H]1CCOC1 1297279793 WVLNACOJYJOFHP-HXUWFJFHSA-N 440.548 2.208 30 10 IEEE CN(C)c1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1298053648 SFTOQPDZRZQCDH-SFHVURJKSA-N 434.460 2.091 30 10 IEEE CN(C)CCCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1298080204 XFBMMEKEICNVOJ-JOCHJYFZSA-N 447.543 2.448 30 10 IEEE COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c1 1299826807 BZMJITHPXXZNIX-INIZCTEOSA-N 446.577 2.384 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1300481876 CDHJJRQWPIUVDZ-IRXDYDNUSA-N 446.621 2.325 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1300501506 LQLZNAXZHDADNW-HXUWFJFHSA-N 428.558 2.052 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300534684 DEOKYTDCSCJASD-JOCHJYFZSA-N 447.587 2.178 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nccc(C(F)F)n1 1300559440 PUBZJGFPDASERQ-NRFANRHFSA-N 430.459 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)Cc1ccccc1 1300586459 DGNSSAONLGFKIY-UHFFFAOYSA-N 447.564 2.342 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2snnc2C)n1 1300676406 PCVFBTNSFLPDEF-UHFFFAOYSA-N 428.566 2.267 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@@H]2COCCO2)CC1 1300707700 HWQQVRJKKHAJQL-JOCHJYFZSA-N 439.560 2.035 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCSC 1300883447 AYWZIYROBGVYBS-ULQDDVLXSA-N 428.624 2.351 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300996751 JDAISTGYRUSCIL-UHFFFAOYSA-N 446.596 2.178 30 10 IEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1301245917 JSKGZAGAOSXSKW-LJQANCHMSA-N 436.516 2.037 30 10 IEEE C=CCn1c(N2CC(=O)N[C@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474265 XGFQCICZFJFQAT-YVSFHVDLSA-N 430.553 2.482 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCCO[C@H](C)C1 1302244157 VFJWIDVRYJUWRT-YRPNKDGESA-N 434.585 2.099 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C(N)=O)cc1 1302680575 HOOHRLGRZUETCZ-UHFFFAOYSA-N 430.516 2.142 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 1303955570 NIYGNBSGXLPIOU-NXOAAHMSSA-N 432.945 2.444 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cc1C 1304378237 ASUPTXOBNUCBKZ-FCHUYYIVSA-N 442.495 2.395 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC[C@@](C#N)(c4ccccn4)C3)CC2)C1 1307987452 GEOAIKNXRSMCMU-NLFFAJNJSA-N 437.588 2.436 30 10 IEEE C#C[C@H]1COCCN1C(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1312119685 ZVVSSXVGHSGKSD-GHTZIAJQSA-N 428.510 2.232 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CSCCN3Cc3ccccc3)CC2)cn1 1312489860 AHVMABJXMRWLGN-JOCHJYFZSA-N 436.585 2.402 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)N3CCC4(CC3)CC(=O)C=CO4)O2)C1 1313034597 MIGLAVZTZBEHJW-KRWDZBQOSA-N 435.521 2.202 30 10 IEEE COC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1315805130 USWNHIUTFBFHGH-FQEVSTJZSA-N 448.527 2.374 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1316017760 GNUDRNUFLUUXOF-UHFFFAOYSA-N 448.531 2.272 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCc1cccc(C(N)=O)c1 1316272661 LYVVAIWEXZKBKV-MNEFBYGVSA-N 426.521 2.082 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1358947567 FKYKDVSDCNUDMU-HTAPYJJXSA-N 435.569 2.250 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1359013466 ZYZSVIGBVWPHEJ-FQEVSTJZSA-N 435.576 2.214 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359221601 HLHZQWFVZXENDF-UHFFFAOYSA-N 446.596 2.380 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1COCCO1 1359279158 VSKWEWBANXMKRF-CQSZACIVSA-N 426.315 2.090 30 10 IEEE C=CCn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1359290375 YKRZOHPOURTOEH-IIBYNOLFSA-N 449.577 2.350 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359639239 WLZADHVFFULLIY-IBGZPJMESA-N 432.532 2.316 30 10 IEEE CCCNC(=O)CN1CCC(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1441316784 VQSVHRQHXHGFFN-UHFFFAOYSA-N 443.397 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CCCCC#N)CC[C@@H]32)CC1 1451453614 VXFSPQWDOFLMTE-MSOLQXFVSA-N 433.553 2.465 30 10 IEEE Cc1ccc(C(=O)NCC[C@@H]2CSc3ccccc3O2)cc1S(=O)(=O)NCC#N 1452165152 UUXRVZUZRUOUMK-MRXNPFEDSA-N 431.539 2.470 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(CCO)Cc2cnn(Cc3ccccc3)c2)c1 1459529652 YZJWWAPRBVZVMX-UHFFFAOYSA-N 431.496 2.055 30 10 IEEE N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCS(=O)(=O)N3)s2)c(C(F)(F)F)c1 1464288896 AYPIXLXOHNQSMW-CYBMUJFWSA-N 430.433 2.255 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1467599890 TUYJDHXUFULJNL-INIZCTEOSA-N 440.363 2.183 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(C(F)(F)F)cc(Cl)n1 1471716584 NVAAQKKDLVZFBJ-UHFFFAOYSA-N 446.838 2.499 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1477620627 CFMFJDROCHSPOJ-UHFFFAOYSA-N 426.542 2.426 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1478734357 BJGRMQQYDVRRMG-VQTJNVASSA-N 436.597 2.435 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1479283133 XHGDDOKAPNTXHU-SFHVURJKSA-N 428.514 2.152 30 10 IEEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1503839449 CNVJPAKGHQCWCD-UHFFFAOYSA-N 428.562 2.191 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2COCCO2)C1 1505311641 CWTJQFSAKYOGNT-GUYCJALGSA-N 439.289 2.283 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1507711500 CWGSHQLEWVRIEF-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCN(C)CCOC)CC1 1507719043 KSZVUPASTCMMBC-UHFFFAOYSA-N 447.587 2.135 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCC[C@H]2C)CC1 1507721089 LSGGFPMXEPBJLX-LJQANCHMSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCOC[C@H]2CCOC2)CC1 1507724195 KFOOIOBUKMRTDM-JOCHJYFZSA-N 437.588 2.376 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnn(C)c2C)CC1 1507733040 WTAIOOBRZAVDQB-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1507744865 XMOCPGUQTQWPTQ-QFIPXVFZSA-N 425.558 2.419 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1507914626 NDRILYNJISPYLD-OXQOHEQNSA-N 425.599 2.498 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1507917187 ZAYDBMZDFOBORI-HZPDHXFCSA-N 443.639 2.155 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)on1 1508005988 FCPHLZAVXPLMQJ-AWEZNQCLSA-N 436.563 2.487 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CCC(=O)N1CCOCC1 1508026648 HJRMQJOSSRJISU-UHFFFAOYSA-N 436.516 2.417 30 10 IEEE Cc1cccc(C(=O)NCCn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c1 1511059563 DZNPHKSFDXAFOV-IBGZPJMESA-N 431.500 2.116 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC[C@H]1C 1518633456 MCZBCQSJFPSZEZ-LSTHTHJFSA-N 427.505 2.005 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 1533848391 CFBXUOJFRMUVKD-ZDUSSCGKSA-N 432.406 2.129 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCCC1 1539615703 KQRZOSHJKDQRLC-NJAFHUGGSA-N 425.599 2.496 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1540200644 GCQMPYNYOLYEEG-MRXNPFEDSA-N 438.525 2.015 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1540550435 PUOIWJJCOFBELF-RBUKOAKNSA-N 434.512 2.464 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1540887616 AJIPFKWFDHVJBS-PMACEKPBSA-N 426.565 2.478 30 10 IEEE C=CCN1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1542975226 QDCOMDGJFNYPOQ-UHFFFAOYSA-N 436.759 2.130 30 10 IEEE Cc1nnc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)s1 1543124562 IDPCKTKRVGBDDB-KRWDZBQOSA-N 425.518 2.411 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1548321898 DUIOKHBPCBSIMO-RUYXUALKSA-N 429.546 2.398 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1555269345 MHFJVCZOMKJIEX-FQEVSTJZSA-N 430.528 2.348 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(OC)CCOC1 1555545332 CXBBHKMSPXMBLJ-NZQKXSOJSA-N 441.532 2.112 30 10 IEEE C#CC[C@]1(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)CCCN1C(=O)OC(C)(C)C 1556956855 AJXJGPOKJMANJV-JOCHJYFZSA-N 449.573 2.394 30 10 IEEE Cc1nnnn1-c1ccc(F)c(NC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)c1 1560063418 UYPIYTWVTPZSRM-UHFFFAOYSA-N 435.463 2.216 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1570261295 GTLOAIUANUBKDM-UHFFFAOYSA-N 433.553 2.224 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1584379651 CALSMRSTRUFJIS-UHFFFAOYSA-N 440.934 2.219 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1588034569 IPLDPTHXJDJXCU-IEBWSBKVSA-N 446.598 2.476 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1588040213 JPIHKUSJHQNHMV-FXAWDEMLSA-N 436.965 2.386 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(OCC(N)=O)CC1 1589558561 LYKVEXWVOIWIRI-UWJYYQICSA-N 445.589 2.382 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1593711912 LXUFAQUFYYWQHE-OAQYLSRUSA-N 426.477 2.305 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1593884027 ASRBTEKCQVESNM-MRXNPFEDSA-N 444.001 2.016 30 10 IEEE C=CCCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OCC)CCOC1 1594661575 VJJQCIOANPAFOH-QFIPXVFZSA-N 427.553 2.403 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1594679997 MGKCGNZCLNLNNI-HZPDHXFCSA-N 435.550 2.131 30 10 IEEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1594714574 XRENOGUNGXNNIM-UHFFFAOYSA-N 428.562 2.485 30 10 IEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1595065607 UTNBGBYKTFYZGK-KRWDZBQOSA-N 427.530 2.318 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@H]1C 1595127284 LOPKJUCFSRBCMC-VPKVUBIPSA-N 429.496 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1595805156 LJINYLGEBJIOEO-MRXNPFEDSA-N 441.598 2.182 30 10 IEEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)cn1 1598357235 COCVUQYWCVNIPI-XMMPIXPASA-N 446.559 2.433 30 10 IEEE O=C(c1c(Br)nc2n1CCC2)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648705 GCZTWIUCFZKCOQ-UHFFFAOYSA-N 433.262 2.110 30 10 IEEE N#CC1(C[C@H](O)CN2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CCC1 1616441725 OUICKKDRXOYSMW-IBGZPJMESA-N 428.558 2.376 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1617629691 WDYZZFSWOXDHEP-MJGOQNOKSA-N 439.520 2.043 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CCO1 1619753313 AQPRHBGZUDBVOY-QFUCXCTJSA-N 441.532 2.395 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C(C)(C)C 1626261642 BBWUILZULCLBAQ-KRWDZBQOSA-N 433.574 2.330 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC(=O)c3c(F)cccc3F)C2=O)cc1 1627054660 CCRVPQQOVQQTBL-INIZCTEOSA-N 426.379 2.041 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCN(c3ccccc3C#N)CC2)C1 1627568731 KPPJGHPKGLTJCX-HSZRJFAPSA-N 444.507 2.182 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1627906123 NIWICLRGWGBWQT-HXUWFJFHSA-N 442.365 2.148 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCCCCC1 1628386324 TYOYAKOTHDRAOV-QTIQAUKSSA-N 434.537 2.493 30 10 IEEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc2nc(O)oc2c1 1630982275 DDRZNNPGRSCSKJ-LBPRGKRZSA-N 428.470 2.230 30 10 IEEE C#CCN(C(=O)[C@H]1CSCN1C(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1634818452 QODWDCBYZQQJQP-MRXNPFEDSA-N 425.551 2.379 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1 1635341784 FAYFPLJMMLHWIN-UHFFFAOYSA-N 444.289 2.499 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F 1640081529 AGRDJQUMZZNKEL-LRDDRELGSA-N 433.452 2.231 30 10 IEEE CC(=O)Nc1ccc(CN2CCC(NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 1641050571 IBHPGQFSFDRTSR-UHFFFAOYSA-N 433.512 2.027 30 10 IEEE C#CCN(CC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21)C(=O)OC(C)(C)C 1644423548 LUZLTCMYQZRJEM-SFTDATJTSA-N 427.545 2.359 30 10 IEEE CN1C[C@H](C(=O)N2CCC(Nc3ccccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1647924648 HXBCSHSATVLBMA-LJQANCHMSA-N 441.532 2.039 30 10 IEEE N#Cc1ccc(C2(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CCOCC2)cc1 1648734038 GACXQVAISBGXOB-WSTZPKSXSA-N 428.558 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1649538762 GWQJZMLZXKYUSW-IFXJQAMLSA-N 438.454 2.440 30 10 IEEE C=CCc1cc(CNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)cc(OC)c1OC 1653847840 XOSFXWBXGKCIRZ-UHFFFAOYSA-N 437.539 2.339 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c(C#N)cn1CC 1662775222 ANKAYBPZWGZBKV-GOSISDBHSA-N 428.493 2.267 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 1680468635 YDOUUPSEZXQJSZ-UHFFFAOYSA-N 432.477 2.235 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](O)c3cc(F)c(F)c(F)c3)C2=O)cc1 1682226622 NJPMDXHCAZUPSJ-ZWKOTPCHSA-N 432.402 2.109 30 10 IEEE C#C[C@@H](NC(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1)c1ccc(Br)cc1 1682357173 UNUUCEFPWFEAQP-OAHLLOKOSA-N 440.305 2.341 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCN1CCN(C(C)=O)CC1 1689843569 XXPUYPRJWNEHBV-GOSISDBHSA-N 431.544 2.115 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@H]2C)c1 1689870316 JVWOWRDLYZSLJD-MJGOQNOKSA-N 445.527 2.464 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1689901674 OFJAGKBUYHWJJA-VXKWHMMOSA-N 439.608 2.490 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCCCOC)CC1 1689926574 SJCYUNJZJUVXSG-UHFFFAOYSA-N 429.521 2.441 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1689982617 QSPRDTYLUCTXBR-GOSISDBHSA-N 444.948 2.191 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689987907 FFAZSJVKWRJBOT-LEWJYISDSA-N 441.601 2.394 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C1CC1 1690043535 DVKXSXNKFPPXDH-SFHVURJKSA-N 443.555 2.138 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1690106051 IMDDMRDEIQCINO-UHFFFAOYSA-N 439.516 2.042 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCOC)CC1 1690122516 UGBUGVPOHUWCRM-UHFFFAOYSA-N 449.559 2.028 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1690181207 QHJAQYFLOONVJJ-UHFFFAOYSA-N 438.601 2.402 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CCS(C)(=O)=O)C1CC1 1690249749 ABGKAFFCLTYTGJ-WIYYLYMNSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690300792 KSKYLJOUHGNXMS-IAGOWNOFSA-N 444.511 2.364 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](COC)C1 1690666272 YNRJZGDNBXLLBI-INIZCTEOSA-N 429.521 2.127 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)nc32)C1 1690685006 TZYYOKCUSQXDHB-ROUUACIJSA-N 427.553 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(OC)C1 1690715583 OLZRCUPBBUYCHE-HNNXBMFYSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690723014 FDPYTAFHHMQZSP-UHFFFAOYSA-N 444.536 2.094 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1692848720 UCXAFXYTIRSBIJ-QGZVFWFLSA-N 446.506 2.221 30 10 IEEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1693392061 KRAHIASXPSRXGP-IERDGZPVSA-N 433.516 2.277 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1696734447 QTCFTIFFGUULQC-LRYGQEGESA-N 446.552 2.283 30 10 IEEE CO[C@@H](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1697134766 WYFBCTUDARRUJP-CJNGLKHVSA-N 439.394 2.370 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697660694 MYCIRPRGCIYYFO-AYAKEVCGSA-N 440.479 2.226 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1698203343 ZSIOLYYOGXCMNG-UHFFFAOYSA-N 436.520 2.130 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCCO2)CCO1 1698493598 NGLRMZDGAGKBCT-DLBZAZTESA-N 432.912 2.308 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCCO2)c1 1705504782 DRUSRRNQTFIILW-IBGZPJMESA-N 431.500 2.360 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1705512826 QFTGMWFHRZQPCB-IBGZPJMESA-N 425.533 2.287 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705526053 DJSDZPLQZXJTAN-HSZRJFAPSA-N 439.516 2.101 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705526693 KHNKZHPZDGLPLG-WMZHIEFXSA-N 445.571 2.219 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOCC1(C)C 1705544297 LMJHHTCJJASCPG-UHFFFAOYSA-N 435.370 2.226 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705565026 RLOFOKACKMWUBD-RDGPPVDQSA-N 443.573 2.170 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1705638061 WPCARKLVCXYBOH-FQEVSTJZSA-N 430.560 2.011 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1705666798 XUPZKJJVLJEWHM-QFIPXVFZSA-N 443.573 2.195 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1705675116 FQKRAMWPICLNKJ-XMMPIXPASA-N 438.551 2.164 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1705737718 YFHFDJXBNQHVBY-MRXNPFEDSA-N 426.583 2.167 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1705876241 RZQUNMHCTQSLLG-GOSISDBHSA-N 439.545 2.192 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705932026 IJOCPXDJVGPFTB-INIZCTEOSA-N 448.593 2.005 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2)C[C@H]1O 1711460813 USQYYWIODVISOS-CEXWTWQISA-N 441.557 2.463 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1722318020 ANNCNPYDBPFOFG-KRWDZBQOSA-N 436.578 2.106 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1722362502 BIYXCDHBHHDKGB-NEWSRXKRSA-N 428.558 2.422 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(F)c1 1722428506 GSJKYZPZYWBOOC-GOSISDBHSA-N 434.537 2.038 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCCC)CC1 1722430734 IXWOOJBFQMBFET-FQEVSTJZSA-N 438.576 2.316 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1722445953 GUFJIYSJEDMBIP-UHFFFAOYSA-N 449.534 2.492 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722459289 HHAJCRKFVHSIHQ-IRXDYDNUSA-N 440.635 2.331 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1722669056 KKOXWHJUKRWYEY-JOCHJYFZSA-N 438.557 2.238 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCCO2)cc1 1722704760 NWTSFEJEJBBCEW-AZUAARDMSA-N 446.573 2.409 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cccn1 1723771848 HAWWFGAARXBPQH-INIZCTEOSA-N 427.534 2.374 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1728293345 HSPVQWZUDHFBIQ-IBGZPJMESA-N 429.546 2.257 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCOC1 1729566572 GCFDGPQZAYADRU-HIFRSBDPSA-N 435.326 2.201 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740588181 KVJNGXIWKZRZFE-GOSISDBHSA-N 431.544 2.019 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1C 1740652925 RVBXUOFCEGZGAS-MOPGFXCFSA-N 444.539 2.328 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)n1 1740687431 DOTYQZUBGAKNHD-KRWDZBQOSA-N 445.568 2.325 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOC(F)F)CC1 1740695703 BMFKBKRWJFCTGC-GOSISDBHSA-N 433.459 2.175 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(CS(C)(=O)=O)CC1 1740892977 SHCCMTQKJPWLOL-UHFFFAOYSA-N 442.383 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2cccn2)CC1 1740955411 UBUAMXLDAHNJJL-UHFFFAOYSA-N 435.532 2.369 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 1740960489 SVWISEBVQXNAAT-IBGZPJMESA-N 440.548 2.013 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC(F)(F)CO1 1741477814 GLKCRVOOKPJACJ-CVEARBPZSA-N 446.506 2.278 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1748666992 LJDRFUYTHHLXIP-KRWDZBQOSA-N 449.559 2.391 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748812217 SMMNROLYUWIWKD-QGZVFWFLSA-N 427.555 2.271 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)[C@H](C)CCC)CC1 1748984817 SARPIMABLCVLEA-LJQANCHMSA-N 433.560 2.124 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749459395 ITEIWKYKXBSOBO-WBVHZDCISA-N 432.550 2.161 30 10 IEEE C=CCCOCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1749460912 JAHGUSODQYODPJ-MSYCTHLASA-N 447.580 2.159 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1749672501 WDIZXRBEOSJCJS-GOSISDBHSA-N 430.597 2.254 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(F)cc(F)c(F)c1F 1750005320 ATOIMPGOMFIZLN-RYUDHWBXSA-N 443.401 2.336 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc2cc(OC)ccc2n1C 1760126495 AIQVCFVVWDKJHL-XFQAVAEZSA-N 438.532 2.404 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760201156 JEIZODVKKNGRFD-IBGZPJMESA-N 429.528 2.025 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1760201863 LEXPFUUZESSTGN-KDURUIRLSA-N 436.560 2.447 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760525108 UKJSWLHLTFDZRT-HZPDHXFCSA-N 430.503 2.122 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](OC)C2)cc1 1760529240 AKCQUMDHQCOJSM-PKOBYXMFSA-N 432.546 2.018 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760559898 VDYXYELTCVEWBS-FVJLSDCUSA-N 435.594 2.206 30 10 IEEE CC(C)N(C)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1761162646 KHCQBKARMCRWKG-UHFFFAOYSA-N 439.564 2.470 30 10 IEEE CCC[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)OC 1765565677 DGCLSGNVLHZURK-NYHFZMIOSA-N 439.495 2.449 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC1 1767231875 BGHUVSKQYUFXHS-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE COc1ccccc1N1C[C@@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1850662807 NMOIMIRAKRIYSH-IBGZPJMESA-N 438.528 2.049 30 10 IEEE C=CCN(Cc1cnnn1C)C(=O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1853579349 WSOJCIVCQUJZTI-SFHVURJKSA-N 439.438 2.302 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1=O 1854331082 UACKLKGPRVOWAC-HZPDHXFCSA-N 425.407 2.045 30 10 IEEE Cc1cnc(C(F)(F)F)c(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1 1854580108 UIOANKAXZPKVCT-ZDUSSCGKSA-N 441.387 2.442 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1C 1854928540 LTJOAYCXTBVHGD-KRWDZBQOSA-N 425.510 2.166 30 10 IEEE C=CCN1C(=O)C(NC2CCC3(CC2)OCCO3)=C(c2ccc(OC)cc2OC)C1=O 1863753802 RWJRLXHZRJIBJF-UHFFFAOYSA-N 428.485 2.245 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866729 JXDYFMBEKNVLHV-OALUTQOASA-N 437.525 2.012 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874344606 WDIAZDMTWCZRDX-WSDLNYQXSA-N 425.470 2.057 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCN3CCC(C#N)CC3)cc2)C1 1890476938 DUXSKDVVGKTZBI-QZTJIDSGSA-N 432.590 2.319 30 10 IEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)C1CC1 1936399071 GYBDBSMWVDGKNS-SNVBAGLBSA-N 442.042 2.032 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1990493631 DAHJRWAARJJDGR-IKGGRYGDSA-N 425.574 2.309 30 10 IEEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccc(Br)o1)c1cnccn1 2033813720 UTZKLTVJSSYCHE-LLVKDONJSA-N 434.231 2.467 30 10 IEEE CC(=NO)c1csc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)n1 2108229713 VHQTXRPODFEIFQ-KRWDZBQOSA-N 440.478 2.107 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2232318989 RFMGAROXIPGYHZ-XYJFISCASA-N 445.369 2.045 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243387342 RYQUFPMNPBNNNW-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE Cc1nc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243416810 JKLVEGJWWAUJKG-NSHDSACASA-N 425.360 2.394 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2255629579 XXZRZJQHTMVCJR-CQSZACIVSA-N 434.346 2.180 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2255639678 UXEBQVPTPVDAAO-NWDGAFQWSA-N 444.284 2.343 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255698232 HACYOBMOTUQARY-HOTGVXAUSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826947 TZUJPFHBTCTVQD-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255828414 SZVMWCVHIXWKKZ-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256623041 OWROIUFVMJCEMW-AWEZNQCLSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256624997 QHWMNDXBEPKKMY-RDJZCZTQSA-N 435.374 2.422 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256628781 MMVZJXOMRWFUSV-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267003188 LCEVWGNDKZLLFD-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)co2)OC1(C)C 2267007163 UIHJZJUZAUJYHU-XMMPIXPASA-N 440.349 2.336 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268642506 FPHCLLFYPFOVDQ-KSSFIOAISA-N 446.353 2.149 30 10 IEEE Cc1cc(S(=O)(=O)NC[C@@H](C)CC2(C)OCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282320877 OMRWLUQNXZPYLD-ZDUSSCGKSA-N 445.412 2.423 30 10 IEEE N#Cc1c(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)sc2c1CCC2 2286043300 DUSPQWIIXFURQE-HNNXBMFYSA-N 449.510 2.230 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2cccc(F)c2)cc1 2318707733 OMIMXMJLQHFQAU-UHFFFAOYSA-N 430.457 2.246 30 10 IEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccco2)cc1 2332201921 YRBRFNHLLQYAPS-UHFFFAOYSA-N 447.499 2.455 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2337195341 XJVZPWUQVILYJX-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CCNC(=O)OC(C)(C)C)C1 2337199995 BUJNKYZCPVPJFG-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2337295094 UZXXCFCENVJEES-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N2CC[C@H]1C2 2342883037 BPDPBEDORNTBNO-DLBZAZTESA-N 444.385 2.486 30 10 IEEE CC1(C)OB(c2ccc(CN3CC[C@@H](S(C)(=O)=O)C3)cc2Br)OC1(C)C 2377420810 VOEKRMATIDOPHZ-CQSZACIVSA-N 444.200 2.367 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 11242506 HDYZYIDDTUBCRM-KKSFZXQISA-N 435.546 2.073 30 10 IEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCc2cccs2)n1 14157277 XELOPVGFVOPYEG-UHFFFAOYSA-N 447.634 2.309 30 10 IEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)o1 20906741 AQEQCTZUUUYVLW-DJKKODMXSA-N 430.494 2.043 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 39915187 CJISEOWCQJYDSU-QGZVFWFLSA-N 440.518 2.426 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccccn3)n2)c1OC 59038562 JYODNVDXUHTINU-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 88367428 XSFJVAJPIHIPKU-SMNOJSTNSA-N 434.504 2.275 30 10 IEEE biogenic CCOC(=O)C[C@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 433887742 JRPVDAQYIIXKMB-OLZOCXBDSA-N 431.308 2.052 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)cn1 462085588 SNXFFQFMVDFWBH-UHFFFAOYSA-N 437.410 2.407 30 10 IEEE N#Cc1c(CCCNC(=O)C(=O)Nc2cccc3c2OCCC3)nn(-c2ccccc2)c1N 467483440 CQMZIFPDLJIDDG-UHFFFAOYSA-N 444.495 2.339 30 10 IEEE COCCN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1=O 469701930 OQEBCNHVQUIKOU-UHFFFAOYSA-N 441.507 2.224 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)CSCC(=O)Nc3ccc(F)cc3)C2=O)cc1 485993088 JKWALDPPDYSRBT-IBGZPJMESA-N 440.500 2.286 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cnn(-c4ccccc4)c3)C2=O)cc1 505330895 VBPXRUDWOZPPJA-FQEVSTJZSA-N 428.452 2.265 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cc1F 514492205 HNEVHXPTHNWVHO-HNNXBMFYSA-N 444.528 2.355 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CC1 524496191 ITWFDWRSGJRMDF-UHFFFAOYSA-N 441.576 2.335 30 10 IEEE CCCc1ccc([C@@H](C)N(CC(N)=O)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 537048358 CRAKKWGPOZJPDP-KNQAVFIVSA-N 427.593 2.180 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 544851443 CKMCXVIGEQEHKM-KNQAVFIVSA-N 434.544 2.074 30 10 IEEE COC(=O)c1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccc1Br 548737974 NFYRYSZANUZTAH-UHFFFAOYSA-N 435.282 2.509 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 555255866 OCUNVLGSVNBAJQ-RBUKOAKNSA-N 431.562 2.181 30 10 IEEE COC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccccc1 557254212 XULZJTCCOOJERK-LJQANCHMSA-N 426.904 2.364 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)nc1 582024214 OALTVHPRTJZKQU-UHFFFAOYSA-N 438.509 2.375 30 10 IEEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 586649137 DFGZOXODEUOBOD-UHFFFAOYSA-N 428.514 2.470 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 611199248 BQNSMGKQGGUKIN-HNNXBMFYSA-N 447.499 2.054 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)CC1 684609717 VLTCNTMJTNNQLW-UHFFFAOYSA-N 427.574 2.053 30 10 IEEE CCOc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)cc1 734292765 VIVMXNFGUGCFDH-MRXNPFEDSA-N 427.482 2.123 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 748064839 BIFJNBLNBVBRMH-UHFFFAOYSA-N 430.533 2.213 30 10 IEEE CC(=O)Nc1cccc(-n2nnnc2SCCS(=O)(=O)c2cccc(C#N)c2)c1 753915087 TZGHCANXORBSEJ-UHFFFAOYSA-N 428.499 2.058 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 755257293 MEJPUGJPPFLQCQ-CYBMUJFWSA-N 432.336 2.437 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(F)cc2Br)c(=O)n1C[C@H]1CCCO1 767872487 QDYNUJOHGUCTTH-CQSZACIVSA-N 434.290 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 768305119 UYQIJAKSDAWZNJ-QFIPXVFZSA-N 447.557 2.475 30 10 IEEE CC(=NNc1ccccc1S(N)(=O)=O)c1cc2c(cc1Br)NC(=O)CO2 773121863 WUPLAJQGDVAGJC-UHFFFAOYSA-N 439.291 2.264 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC(C)(C)O)C1=O 774284137 LKFOLVDXUHWBAA-GOSISDBHSA-N 445.589 2.109 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cnccn2)c1 774583930 ZDEBHJJPWZYDIO-LJQANCHMSA-N 440.573 2.027 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2CC2)c2cc(Cl)ccc21 777068543 DCCDXLRCDJSZOI-UHFFFAOYSA-N 430.917 2.394 30 10 IEEE CCOc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCC1 780854349 HHPQLKPMTGRCJC-FQEVSTJZSA-N 429.498 2.414 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC[C@H]1CCOC1 784125796 STACNMJWZYYJSY-LPHOPBHVSA-N 448.589 2.121 30 10 IEEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)ccc1OC 790019323 PHMHIMPCZTXFOC-OAHLLOKOSA-N 439.534 2.415 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCC[C@@H]2C)cn1 798362819 LDEVHUVPFSSYBG-XYJFISCASA-N 434.610 2.339 30 10 IEEE C=CCN1CCC(NC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 804675214 OJZUMYKCBFKRTH-IBGZPJMESA-N 430.549 2.135 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnn(C)n2)cc1 807936088 XIMSMPMLIPXDBP-INIZCTEOSA-N 436.501 2.074 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 917132364 OZDMDZIHSUTLKY-ZDUSSCGKSA-N 440.529 2.399 30 10 IEEE C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1c1nccn2cnnc12 1127359799 YCJPMEIIMWNJEB-LBPRGKRZSA-N 426.278 2.109 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1129062866 AJOOPIQNPMWZLA-ZRGWGRIASA-N 436.306 2.066 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(N)c1 1135836118 DIQSUIGEOJXQQZ-UHFFFAOYSA-N 426.542 2.282 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)cc1 1141657581 WUXQGSJWBNMMKJ-SEYXRHQNSA-N 433.508 2.420 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1153614992 QPOYQNHIBJPQPV-QXMHVHEDSA-N 427.526 2.454 30 10 IEEE CCCN(CCC)S(=O)(=O)N1CCN(c2ncc(Br)cc2C#N)CC1 1163243341 YUAIZIGTRQUJLX-UHFFFAOYSA-N 430.372 2.205 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1169301214 UCMVLPIWTYFVSO-GOSISDBHSA-N 444.509 2.417 30 10 IEEE CC(C)(C)OC(=O)NCCCOC1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1192042404 MCASLFGFFGJIEN-GOSISDBHSA-N 425.570 2.454 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCO1 1196554703 XNJUICMFVXTFPB-FPTDNZKUSA-N 449.573 2.495 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(CC)(CC)OC 1286366217 YFXKNNGAUODNFH-UHFFFAOYSA-N 433.578 2.470 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286392690 MUKQMTSOHAZIIK-RTWAWAEBSA-N 440.569 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1([S@@](C)=O)CCC1 1286415805 GUDFSHFOCWUEEC-SSEXGKCCSA-N 426.542 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(OC)CCCC1 1286424348 BIGHRLDLQYJZTA-UHFFFAOYSA-N 430.516 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(OC)CCOC2)CC1 1286489050 CXRQUPUXBUJNRP-XMMPIXPASA-N 437.544 2.025 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCCC2)CC1 1286493950 JIPCJSQOWPHZKR-UHFFFAOYSA-N 449.603 2.106 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286514559 KTSHZIHMZYEHRN-OTWHNJEPSA-N 449.621 2.110 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286620124 GDOKRPFYXRSBQH-HXUWFJFHSA-N 449.342 2.330 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286778515 BPJQABSYWFWUFU-VQTJNVASSA-N 436.560 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCC[C@@H]2C)C1 1286797921 DYXHFFAUFDZPFO-JKSBSHDWSA-N 426.521 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286815232 PCKIHVJQGBFWAP-XUVXKRRUSA-N 446.573 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286815946 CTYUGVOVCYTSKG-SFHVURJKSA-N 426.546 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1 1286815977 DBJREHVSVLWORW-UHFFFAOYSA-N 442.589 2.338 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N 1288272025 FBIPLVMJPQMUCA-OAHLLOKOSA-N 429.550 2.493 30 10 IEEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1289339429 QLBLNRWMPKQLLS-GMAHTHKFSA-N 439.537 2.252 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Cl)cn2)c1 1290076961 FFAVOYBWMJCWQK-SFHVURJKSA-N 427.896 2.444 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2cncn2c1 1299120739 JXWYYLASDDMFEW-UHFFFAOYSA-N 425.514 2.250 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CCOCC1 1300446450 KUYJMFIFKJJRNT-UHFFFAOYSA-N 435.322 2.327 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300496899 VYTBVTJIXUZKQR-IBGZPJMESA-N 430.574 2.469 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1300532386 UPMOPOLEKHMPFJ-GOSISDBHSA-N 429.528 2.399 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1300545677 UNRWXXOMEWMUGJ-NHCUHLMSSA-N 437.592 2.100 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCOC[C@@H]2C)n1 1300680846 GCSRIJBTXYZGOV-VQTJNVASSA-N 449.559 2.495 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOCC(C)C)CC1 1300698522 UEZAHJMSXLLLCS-UHFFFAOYSA-N 449.559 2.412 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN2CCOCC2(C)C)CC1 1300721838 AYJCLXKUATWFNN-UHFFFAOYSA-N 442.608 2.012 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1300999473 CTYXEJFHCUOSCY-KRWDZBQOSA-N 429.521 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301593784 UKOYYQQUGBAQTJ-SFHVURJKSA-N 438.525 2.132 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1301971567 NTYDKSVSKFQEJJ-VWKPWSFCSA-N 444.561 2.204 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1302429269 ZIOHZYILGZHSQR-YLJYHZDGSA-N 449.508 2.054 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1F 1302862893 ROFYIPOMRQKVOQ-BEFAXECRSA-N 438.463 2.432 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CCOC1 1303475974 IBPHGYAZTRPEMO-JZZBYWGLSA-N 433.553 2.395 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1303635272 CVNZTAGEAHVENF-HZPDHXFCSA-N 443.556 2.308 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC[C@@H](C(F)F)N1CCOCC1 1303636084 HZBDRSBIZIDOHH-AEFFLSMTSA-N 433.507 2.358 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1C(F)(F)C12CCC2 1303835072 VSGIKEJXKSDREI-HIFRSBDPSA-N 442.536 2.454 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1303915556 RQBNWHGOSCMRBR-MAUKXSAKSA-N 435.912 2.199 30 10 IEEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCCc2ccc(C#N)cc2)c1 1309676815 GYBGKCDQKYYXJP-UHFFFAOYSA-N 443.344 2.245 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1311289098 BMPVRDXIHILEPF-INIZCTEOSA-N 447.474 2.440 30 10 IEEE CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312470138 NJIPCZIYZFRKRG-JQHSSLGASA-N 443.504 2.412 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1316086192 LEEYEBLRLGYUCE-HXUWFJFHSA-N 445.483 2.267 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(=O)N(C)C1CCCCC1 1316102737 ZTYDDBCKAYYAGP-GOSISDBHSA-N 432.569 2.330 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1316264950 PBNQRALRTRZMEQ-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358955333 KBCRHBDPXLNZGQ-MOPGFXCFSA-N 435.638 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)Cc1ccccc1 1358968282 FUXATICQTZZMGJ-UHFFFAOYSA-N 427.512 2.130 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)cc1 1358980188 MTJRAYIOTGTTBN-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1358999097 CYUWZJKKCGRINY-UHFFFAOYSA-N 449.603 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)Br 1358999199 JFTTYPIJOFFALD-KBPBESRZSA-N 431.281 2.453 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCO[C@H]1C 1359019594 ZLBWOQHNPREWJU-PNLZDCPESA-N 432.496 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(C)C)C1 1359092329 ZMZUTVOSQROASD-TVFCKZIOSA-N 425.599 2.352 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359132874 HJULNPOPVUGZDV-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(=O)C(C)C)CC1 1359176363 VJGKWOLSXIPQFM-UHFFFAOYSA-N 449.563 2.486 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359190115 FJJIWGXPYWGRNW-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359287007 GFWUQQCFYNEYLR-DLBZAZTESA-N 445.568 2.135 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1359308891 BNRQTNGSZZEHEU-IEBWSBKVSA-N 432.546 2.366 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1360289263 WKAWDOKDSKJNNH-UHFFFAOYSA-N 426.521 2.177 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1360471059 ZUTDAPZEKBJJRQ-DLBZAZTESA-N 446.577 2.360 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1360474879 XHRBUCQNVNCEJX-VBKZILBWSA-N 431.566 2.181 30 10 IEEE CC(C)[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1437146038 HUCQITLTZDAZQE-QZTJIDSGSA-N 442.516 2.493 30 10 IEEE CCc1ccc(C(=O)Oc2c(C)nn(CCC#N)c2C)cc1S(=O)(=O)N1CCOCC1 1439964703 RYZCZSKLCKGKDX-UHFFFAOYSA-N 446.529 2.216 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 1441598364 BVWAALYWPJLGBI-UHFFFAOYSA-N 426.494 2.208 30 10 IEEE C#CCN(CC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C(=O)OC(C)(C)C 1443356503 CIWSJDLEENXHPR-UHFFFAOYSA-N 425.482 2.174 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)c2cccc(C#N)c2Br)CC1 1449778922 ZDDFSJOLYRUVBY-VWLOTQADSA-N 427.320 2.237 30 10 IEEE C=C(C)CONC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1452773495 HIVPDSYPNFZUCP-SUMWQHHRSA-N 445.969 2.359 30 10 IEEE COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(CCC#N)CC3)c2)cc1 1454901164 ABJDRKSJDJWZFZ-UHFFFAOYSA-N 442.541 2.476 30 10 IEEE CS(=O)(=O)N1CCC(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 1467699102 DGOQIOWLUUHYQO-IBGZPJMESA-N 438.981 2.111 30 10 IEEE C#CC[C@@]1(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1468184289 ZWILIISQOFUWAQ-AOMKIAJQSA-N 439.553 2.123 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 1471226956 LFHFZRJECHFNFQ-UHFFFAOYSA-N 443.460 2.145 30 10 IEEE CS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1475098926 DCHCHLQVICNUPH-UHFFFAOYSA-N 443.344 2.344 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(F)CCC2)CC1 1504531996 UNHWXIYPEVPGIC-UHFFFAOYSA-N 426.496 2.394 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccnc(-n2cccn2)c1 1505058003 VBUZGGKCITUCCI-QRFRQXIXSA-N 436.520 2.369 30 10 IEEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1505289047 RQGLLLLKFYLLDZ-MOYODAKZSA-N 442.545 2.070 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507629752 PHTGTRBRWXQNOZ-GOSISDBHSA-N 437.525 2.024 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(=O)NC2CCCCC2)CC1 1507733647 GWTIMNUQCAMQHG-QGZVFWFLSA-N 428.581 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 1507806012 LWYMRUMZOXKNSQ-NQIIRXRSSA-N 447.580 2.217 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1507915092 STFFNZRRQMIZEG-ZWKOTPCHSA-N 427.553 2.242 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1507957147 LLCLOLBMOFARFY-KRWDZBQOSA-N 426.521 2.052 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507961565 BUAYRGSJSXEUDL-SFHVURJKSA-N 429.569 2.402 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1507967637 MBHJAOZXDOGZIW-SJORKVTESA-N 426.583 2.024 30 10 IEEE C=CCN(C)c1nnc(CCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1507981342 GPJCANQFEZOXIH-UHFFFAOYSA-N 435.619 2.064 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1 1507999362 ZQOYUGDVUXPBAJ-UHFFFAOYSA-N 443.548 2.159 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCCc2ccccc2)C1 1508111129 CZIVZDFTZVIDBD-FQEVSTJZSA-N 434.544 2.424 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1508124389 FZSZRKCVXGINBB-FCHUYYIVSA-N 440.592 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1508148411 HFJUCACLLJPHMI-MJGOQNOKSA-N 434.562 2.382 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508160782 WHNJYYYWOPMJIN-UHFFFAOYSA-N 431.566 2.132 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1509947495 WCFDDLUZJQXXMP-CJNGLKHVSA-N 429.435 2.083 30 10 IEEE CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1516816366 MNSYHJGXETZPKU-MOPGFXCFSA-N 445.545 2.014 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538987151 QXXLWVPEIFKZGD-ZIAGYGMSSA-N 439.944 2.477 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539133153 FIPRSOSHSFECME-UHFFFAOYSA-N 445.589 2.487 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539226462 YTHANIBXLZZTGQ-LJQANCHMSA-N 427.574 2.327 30 10 IEEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1539385175 BKILTQUFNDPTTO-MRXNPFEDSA-N 427.844 2.460 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)NC(C)(C)C)CC1 1539459857 QDMUZCLVQNVXKJ-UHFFFAOYSA-N 438.576 2.226 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539491017 KGQFVMBVSOLSSL-KRWDZBQOSA-N 440.573 2.181 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@@H](F)C1 1539511154 SLVXEHHPOAVQKU-CABCVRRESA-N 436.582 2.399 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1539573606 BAGKKEVFROMNCE-UHFFFAOYSA-N 432.330 2.074 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@H]1C 1540126223 BYEDIRPFKNUHGC-LJQANCHMSA-N 426.565 2.330 30 10 IEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540920210 RBRIZGLQLXZQIA-OAHLLOKOSA-N 432.525 2.129 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)C)C2)CC1 1541003920 WPSINPXEORHGFB-QFIPXVFZSA-N 435.576 2.463 30 10 IEEE CC(C)(C)OCc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)no1 1541227882 MNKDFIISXMICQB-CRAIPNDOSA-N 430.509 2.252 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N(C)C 1541798975 VPTDBZKLJGJGPJ-KRWDZBQOSA-N 430.578 2.378 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1541803268 FRFKHNRVEIJMIT-YJBOKZPZSA-N 444.561 2.151 30 10 IEEE N#Cc1c(CCCNC(=O)c2cccn(CC(F)(F)F)c2=O)nn(-c2ccccc2)c1N 1543521266 YXZMHAPIAMVLAM-UHFFFAOYSA-N 444.417 2.413 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@@H](C(F)(F)F)O1 1544754064 BXZOTPQRLIOAIX-DYVFJYSZSA-N 448.449 2.499 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1545694249 MJTNHDJURPICAX-HNNXBMFYSA-N 446.515 2.180 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1558464488 HAEHSWKCYNXJMT-GOSISDBHSA-N 425.514 2.134 30 10 IEEE COc1c(O)nc(O)nc1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558634154 VNUSCHGAJPSWPU-WHFBIAKZSA-N 437.243 2.139 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1c(C)nn2cccnc12 1561471054 KVIHOZCFPYZQLH-GOSISDBHSA-N 428.514 2.389 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3nc(Cl)ncc3s2)n1 1561531942 VXAGNAQADNYNEC-UHFFFAOYSA-N 425.923 2.012 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1566387784 XBPNCVKLRYVEHG-UHFFFAOYSA-N 442.541 2.330 30 10 IEEE Cc1nc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C(=O)NCCO)n1C 1568664609 QYDNQPKDRZVZJZ-UHFFFAOYSA-N 433.468 2.154 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]([C@H]3CCCO3)C3(CO)CCC3)ccc2c1=O 1570781864 AJJHIWNXOIYBIS-QZTJIDSGSA-N 429.542 2.311 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)C1=O 1584203835 QOVKVMDDELRNMO-UHFFFAOYSA-N 434.880 2.031 30 10 IEEE Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1B1OC(C)(C)C(C)(C)O1 1585085632 UWCZPEVWQKOLLW-UHFFFAOYSA-N 440.353 2.075 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)C1=O 1587045283 JSVIEQXGTSBQPA-UHFFFAOYSA-N 439.375 2.139 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(C(=O)OCC)c(C)s2)ccc1F 1587699708 LGWHPSWJHQQXTG-UHFFFAOYSA-N 427.479 2.484 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1587878888 IOPLOCSSJOYCSB-UHFFFAOYSA-N 434.544 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588229067 QMCCHALXDPOSPL-PMACEKPBSA-N 437.519 2.118 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)CC1 1588864917 LUQPGBDDCOLRKP-UHFFFAOYSA-N 440.598 2.443 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1594228898 CODKMDVNEWEZEL-UHFFFAOYSA-N 439.545 2.094 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1595614502 VUZMDXXNCIDYDQ-SFHVURJKSA-N 435.532 2.384 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1607256563 ZRPCXOGLJJTAQH-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOc1ccccc1 1611678236 DBJYHQTZSQIPDS-KRWDZBQOSA-N 446.577 2.487 30 10 IEEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)Cc2ccccc2Br)c1=O 1613804202 HREZAPPGXNUFQE-UHFFFAOYSA-N 430.302 2.126 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CCN(C)CC1 1617454757 SVJSPESVBPMRDT-UYRXBGFRSA-N 429.586 2.255 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(F)CCC2)CC1 1618836095 AYKPDSBNJFKYKA-UHFFFAOYSA-N 441.511 2.472 30 10 IEEE CN(C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1624580633 AKZYJFLAPOVDJB-SJLPKXTDSA-N 433.530 2.038 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2(NC(=O)OCc3ccccc3)CC2)C1 1624820243 XKLVKLPSGXRAQF-DLBZAZTESA-N 428.489 2.321 30 10 IEEE C#CC[C@H](NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F)C(=O)OC 1626187568 BNCFEFZAUXXAKR-NSHDSACASA-N 445.195 2.343 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)s1 1626942400 GBOUSDHCSQWUQJ-GOSISDBHSA-N 447.582 2.014 30 10 IEEE COc1cccc([C@@H]2C[C@H]2CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1638066683 JPEGQYPHPOEBAM-LPHOPBHVSA-N 427.526 2.434 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)nn1 1641927252 VWYVIDZYJBQRRR-UHFFFAOYSA-N 425.493 2.089 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 1645274800 WPZSAIDZWMOUFK-GFCCVEGCSA-N 427.242 2.335 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CCN(c3ccncc3)C2)nn(-c2ccc(F)cc2)c1N 1654205562 JZTHNCSBVNEBCS-INIZCTEOSA-N 433.491 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1689851326 OSNNHZWKXFCTEA-IAGOWNOFSA-N 444.605 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CCC1 1690047777 YOLWHXYMLVQMTA-LJQANCHMSA-N 432.590 2.240 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2cc(C)on2)n1 1690109511 UMJQYZRLCIFKSP-UHFFFAOYSA-N 434.504 2.111 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCC(OC)CC2)CC1 1690145981 CFLMVDFXBIZIRQ-VEDCXYSMSA-N 443.592 2.343 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCc1ccccc1 1690188737 OEEHASXPJJDUOP-XMMPIXPASA-N 434.544 2.213 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC1(C(N)=O)CCOCC1 1690212173 AVISQJVMCBGPNY-HSZRJFAPSA-N 437.544 2.440 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690296921 XJNSEABQGFWLBE-KRWDZBQOSA-N 426.521 2.388 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690451682 NAKBFVCRXWPZIB-INIZCTEOSA-N 432.550 2.295 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1690583594 QEOWVXLBALMBOP-UHFFFAOYSA-N 425.537 2.215 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1690609759 YZFFXKVRXBNVFB-ROUUACIJSA-N 434.562 2.435 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@@H]2C)CC1 1695897161 LBFAWZGEIZXQPT-FQEVSTJZSA-N 437.592 2.460 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1OC 1696913134 CKJURJZOULLIOK-POAQFYNOSA-N 440.548 2.362 30 10 IEEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCC1 1698319223 ASQYOOJNHDPGRL-WJOKGBTCSA-N 441.561 2.357 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(CC(C)C)CCO1 1705500658 ROXMLBFGCQHCLJ-MSOLQXFVSA-N 444.605 2.084 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1705568307 KNZXFHZSABBGBX-YQQAZPJKSA-N 436.484 2.153 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCSC2)CC1 1705648950 FDWBANZXIBPQPP-QGZVFWFLSA-N 426.590 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](OC)C1 1705937227 NCVGAZZBSKXBNT-QGZVFWFLSA-N 429.546 2.176 30 10 IEEE Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)CCO2)o1 1707843300 BPTRQJKCMKBGAK-XMSQKQJNSA-N 437.504 2.493 30 10 IEEE CCOCc1nnc(N2C[C@H](C)C(F)(F)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710757615 DAFCWCMASUQHHZ-ATWJUZPFSA-N 438.479 2.069 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1711192685 OITQCRZYACQVFB-LJQANCHMSA-N 431.562 2.383 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1712875579 FRVOLPYZZVXVPT-GCJKJVERSA-N 442.495 2.487 30 10 IEEE C#CCCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722340483 ADNIKEWESCIEKW-HSZRJFAPSA-N 429.565 2.181 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ncccc1Cl 1722372995 COLYGYTZOPTZPU-NRFANRHFSA-N 429.908 2.130 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722385794 OYTAZSXYFYPUAI-AABGKKOBSA-N 439.560 2.328 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1722593953 CYVZRXBVZIPIGO-QKNQBKEWSA-N 448.527 2.455 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(Cl)cccc2C1 1722691913 BWZWXVXCCQWIKH-UHFFFAOYSA-N 428.924 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1722729195 XXMGKFOBZJQPDG-MOPGFXCFSA-N 446.573 2.288 30 10 IEEE C=CCSCCn1c(C(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1722732670 NKRRNSOCBBXKIA-INIZCTEOSA-N 427.582 2.474 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722736457 XWSMURKLXUFOEY-UHFFFAOYSA-N 438.623 2.063 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1729669221 FITQVPRRKHMSFL-QHCPKHFHSA-N 434.500 2.280 30 10 IEEE COC1(C(F)(F)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1729907098 DXOJEPYQPOAWOD-OAHLLOKOSA-N 427.496 2.426 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC=CO1 1730759623 DGUYHLNDPQAGGB-GOSISDBHSA-N 445.545 2.408 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC(O)CC1 1740537603 XEGSXGKRIPBRGY-OAHLLOKOSA-N 449.397 2.351 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1740575897 WMNKRUPIIFOMPW-MOPGFXCFSA-N 437.610 2.287 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1740592039 YQMRICGMQMJFQK-WMZOPIPTSA-N 431.562 2.430 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1740619912 AVHJTOXRWDRQIK-INIZCTEOSA-N 444.586 2.162 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccccc1Cl 1740629671 VUBQJNUBIMHEQH-QFIPXVFZSA-N 425.920 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(OC)C2CC2)CC1 1740707248 VNBPDDVQTYUVNU-XMMPIXPASA-N 436.560 2.045 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1740769113 ZKRPWUJROOTDLE-HRAATJIYSA-N 429.496 2.304 30 10 IEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740778493 GYLFKBGBRFFJSC-UHFFFAOYSA-N 426.521 2.104 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1740876546 UFZMTOQNMWRZIQ-ROUUACIJSA-N 437.610 2.279 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCOC 1740956539 MLUIJPHVNRKMEM-UHFFFAOYSA-N 426.290 2.232 30 10 IEEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1745782846 LGKWTTQJZGNZJI-OAQYLSRUSA-N 427.509 2.052 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@](C)(O)c1ccccc1 1747186038 DLLLEULORBBKTI-XMMPIXPASA-N 447.543 2.316 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C 1747432607 DHJDOCPLBWIVER-HNNXBMFYSA-N 434.591 2.088 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N(C)C 1747707349 RIGQWWMTBQHKNQ-UHFFFAOYSA-N 444.586 2.330 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1747993129 RQPMRACLMXMXSN-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748647887 UPSOQPUKKJQVHU-KOSHJBKYSA-N 439.560 2.333 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748772249 ROHNWNMAQJXEAL-XMMPIXPASA-N 439.560 2.333 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cn2ccnc2)c1 1748874984 GZCRYKNHRXBZIB-UHFFFAOYSA-N 429.528 2.172 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749020389 RBZWFIJOFWZVPD-UHFFFAOYSA-N 448.637 2.258 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1749054630 WQSUJZUSQVOAJY-ZLGUVYLKSA-N 437.610 2.212 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCOC)CC1 1749331041 CDYWLSVMEPTJTD-UHFFFAOYSA-N 434.562 2.414 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1749484827 KEWOIQZYJGPOOD-QHCPKHFHSA-N 438.532 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749659117 VGXKDVQVDZNPML-UHFFFAOYSA-N 444.536 2.453 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](OC)C2)cc1 1749683012 GQKUMNRNGYVVTE-APWZRJJASA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C)C1 1749724626 KRTFZSFJPBWSAT-MRXNPFEDSA-N 442.545 2.161 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1Cc1nncn1C 1749806197 HKVCXHSLCUNVDY-UHFFFAOYSA-N 429.488 2.042 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1750380956 DBRQMRWXLXNYNO-PXNSSMCTSA-N 428.493 2.226 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1=CCCOC1 1760100371 ANUGISUEPLBVEW-HNNXBMFYSA-N 428.562 2.351 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)[C@@H](C)CC 1760110718 RRZAPXGLRNCXSN-QYWGDWMGSA-N 432.594 2.493 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1760152475 NIJIBLCCLYRJNN-UHFFFAOYSA-N 430.516 2.365 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCC(C)C 1760170025 MRIHYIFAZZJQDJ-OAQYLSRUSA-N 432.594 2.495 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H](C)N(C)C)CC1 1760259012 WXXUABPWRXZVOD-IBGZPJMESA-N 440.592 2.448 30 10 IEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)cc1 1760719217 GHFLGCNKULWKEY-WOJBJXKFSA-N 441.532 2.299 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C2CC2)C1 1761269938 GPZNXLDUJKEXGU-IBGZPJMESA-N 428.562 2.381 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1761315018 GNFPPXFHHVSEQO-SFHVURJKSA-N 440.504 2.185 30 10 IEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1761318505 FNZZTTLWBKTDCQ-NRFANRHFSA-N 429.546 2.257 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)cc1C 1761806221 HBTUNRIPQFSYDU-OAQYLSRUSA-N 437.483 2.271 30 10 IEEE CCc1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763048513 RWYRAOBVHVJMIE-SGRLSNSRSA-N 438.536 2.022 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1764562681 GHJTZMAKZNQUIR-HNNXBMFYSA-N 449.481 2.416 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1769293127 JYRRTDVHCKSJDI-SFHVURJKSA-N 445.495 2.099 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C[C@@H]1C 1769477673 MEVFHNDVNOIJRZ-INIZCTEOSA-N 446.515 2.435 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@H](C)O1 1769489253 PJCYVNHDUKZLLD-WBAXXEDZSA-N 433.459 2.481 30 10 IEEE COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769863479 ALJHJBPIOJIEOY-UHFFFAOYSA-N 434.500 2.253 30 10 IEEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770607002 QKFXYUYNDVSPMB-LJQANCHMSA-N 439.589 2.176 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOC[C@H]1C 1771110365 OXQVYCGSJSAJSP-MRXNPFEDSA-N 433.944 2.081 30 10 IEEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1 1849433777 LBBDVQGOIHSULJ-GFCCVEGCSA-N 433.306 2.022 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1849443164 IYRAOQPALFSLAL-UHFFFAOYSA-N 430.468 2.087 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1851270085 SNFPJTBRWLNLOD-UHFFFAOYSA-N 441.435 2.356 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)N2CCN(C3COC3)CC2)N2Cc3ccccc3C2=O)cc1 1852570678 RKVPONIKQFWHCI-HSZRJFAPSA-N 430.508 2.188 30 10 IEEE N#Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c(Br)c1 1853347532 MHKLTXKVBCMEMY-NSHDSACASA-N 429.230 2.436 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C1=O 1854174280 CGRZWKADUBJWKE-ZWKOTPCHSA-N 431.920 2.149 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3ccc(Cl)s3)C2)CC1 1855916387 UCAPHOOIEVERLJ-HNNXBMFYSA-N 443.960 2.408 30 10 IEEE Cc1c(Cl)cncc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856414075 SQSXMVOGONJZGC-AWEZNQCLSA-N 425.876 2.062 30 10 IEEE CN(CCC#N)[C@@H]1CCCCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1856430821 LLLHUHKTVKEETO-CABCVRRESA-N 428.480 2.384 30 10 IEEE Cc1cc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)ccc1F 1857026745 PKAQAOMLAUFHFV-GOSISDBHSA-N 435.521 2.007 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862754984 USHIFRDOIHNRKR-BBATYDOGSA-N 428.397 2.268 30 10 IEEE CN(C)C1CCN(C(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)CC1 1869930358 YHVQDHNABNINSS-FQEVSTJZSA-N 426.542 2.019 30 10 IEEE Cc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 1870150211 CZSFRGTYOWZVPT-UHFFFAOYSA-N 446.471 2.360 30 10 IEEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1cnc[nH]1 1870232594 AIOIZIKLKFWBIK-UHFFFAOYSA-N 448.512 2.081 30 10 IEEE CCOc1cc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 1874341249 FREXDGXJNUHFFN-LTNVFZTJSA-N 447.561 2.463 30 10 IEEE COc1cc(/C=N/n2c(SCCO)nnc2C(C)C)ccc1OCCN1CCOCC1 1874517420 STUULXGSSHEWLQ-PXLXIMEGSA-N 449.577 2.088 30 10 IEEE O=C(COc1c(F)c(F)c(F)c(F)c1F)NCc1nnnn1-c1ccc(F)c(F)c1 1891600294 VMQXWUZOCCDXDW-UHFFFAOYSA-N 435.259 2.331 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993233980 OFRWYPAQKCCHES-LSDHHAIUSA-N 425.526 2.039 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626550 YBOUVJBOJIVIGK-WMLDXEAASA-N 434.342 2.223 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060640667 XLROSFHPWMJVTL-AWEZNQCLSA-N 434.302 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128721790 XWUROPOQUNJTTR-GOSISDBHSA-N 446.353 2.238 30 10 IEEE C[C@@H](CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2232264768 ZNFQEABWZCWAPK-QMHKHESXSA-N 447.385 2.223 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H]2COC[C@H]21 2254803910 VIFMFEYSVDIVFF-IAGOWNOFSA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@]12CCCOC2 2255602628 VDSMUJROLBWERY-AOMKIAJQSA-N 434.342 2.296 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC 2255611493 UQCPKPBUGZHZLT-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE Cn1cc(C(=O)N(Cc2ccccc2)C2(CO)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255625362 QFVPXUVDDFAJIQ-UHFFFAOYSA-N 425.338 2.277 30 10 IEEE CC1(C)OB(c2ccccc2S(=O)(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2255753805 SZLYCEXUJNVVIF-UHFFFAOYSA-N 444.362 2.080 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(OCc1ccccc1)C1CNC1 2255873390 KSMGPOMQZSTHIF-UHFFFAOYSA-N 425.338 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256674299 JREVEXJMRNNGQJ-CFVMTHIKSA-N 449.382 2.314 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267101709 ZRMXGIZJDNAUHS-HNNXBMFYSA-N 446.357 2.371 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267533334 QXQKYGYBSHYBMT-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 2267536105 ADIHATULQBBUNE-ZBFHGGJFSA-N 448.373 2.187 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267802801 XSAGGTHGZMFYJR-PSLXWICFSA-N 444.337 2.431 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268643554 KURHVZJDGPGCSY-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE COc1nc(NN2CCN(C(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2317501399 INWIGTXYWXNSHR-UHFFFAOYSA-N 434.346 2.269 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339442123 BWSKKHBWCXBJDF-MSOLQXFVSA-N 443.353 2.322 30 10 IEEE C=CC[C@]1(CN)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364201828 LOEKVHITDFPOCB-JOCHJYFZSA-N 433.574 2.400 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 28635415 OZENYGHQBSIFBK-UHFFFAOYSA-N 437.974 2.271 30 10 IEEE COc1cc(OC)c(/C=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)cc1Br 59460915 QRCGTHKQLCEXPG-AWQFTUOYSA-N 441.307 2.179 30 10 IEEE N#Cc1cccc(S(=O)(=O)N2CCc3nc4cc(-c5ccccc5)[nH]n4c(=O)c3C2)c1 97138664 NNLQKTIARCUKNH-UHFFFAOYSA-N 431.477 2.308 30 10 IEEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 102749630 FIRKZUAQQCXIJW-LAFOYAEKSA-N 430.432 2.181 30 10 IEEE Cn1nccc1[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 410330979 ZPGURARATOOLOY-NRFANRHFSA-N 441.557 2.446 30 10 IEEE C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 430887585 FLPNSXKZWDFJMK-PMTGJVGFSA-N 426.517 2.422 30 10 IEEE C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 460393429 JALKKUZQZSIGIZ-UHFFFAOYSA-N 441.561 2.084 30 10 IEEE C[C@@H](C(=O)OC(C)(C)C)c1noc(CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 482541388 FZRVDRHAVJSYTR-DOMZBBRYSA-N 425.445 2.444 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCCC(=O)NC)CC1 508911595 BJEGLNSYTUAEEP-IBGZPJMESA-N 427.505 2.098 30 10 IEEE COc1cc(OCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1[N+](=O)[O-] 523356622 AHESKZFUBFVRNE-QGZVFWFLSA-N 442.453 2.394 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 525266805 IACPUZRIAQYFTG-LEWJYISDSA-N 427.593 2.431 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2ccccc21 536263294 LSVJNMOZFGSABC-GOSISDBHSA-N 427.482 2.186 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 549698557 HXLZYVHQVPRAJV-UHFFFAOYSA-N 427.509 2.076 30 10 IEEE N#Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)ccn1 610991311 JJBSVHAAKPVKCB-UHFFFAOYSA-N 427.349 2.284 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CN4CCN(C)CC4)cc3)cc2C1=O 613839641 CTZZBKKJJGNJJR-UHFFFAOYSA-N 432.524 2.146 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 672197535 ICQNQTYMDWYKJD-YUMQZZPRSA-N 439.303 2.465 30 10 IEEE C#CC[C@@H](N)C(=O)Nc1cc(I)cc(I)c1 690323284 RNPHPKVSHNXKTL-SNVBAGLBSA-N 440.022 2.185 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(C#CCO)ccc1Cl 703981659 SVQUOMKKXCHOMI-UHFFFAOYSA-N 432.885 2.112 30 10 IEEE C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669157 JYAHQNWQAIOAIZ-HNAYVOBHSA-N 447.564 2.090 30 10 IEEE CC(=O)Nc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C(F)(F)F)c1 732415829 HRGJICXWZJSACI-FOCLMDBBSA-N 425.367 2.312 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)C1 732650266 LPOCXAUKKNASCK-FUHIMQAGSA-N 430.574 2.166 30 10 IEEE C[C@@H](CC(=O)NCc1cn2cc(Cl)ccc2n1)/N=C1/NS(=O)(=O)c2ccccc21 742511576 YFUAAIGCQFLKNU-LBPRGKRZSA-N 431.905 2.121 30 10 IEEE C=CCn1c(-c2cccnc2)nn(CN2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747829248 ROSMTTDPYPZXBK-MWDXBVQZSA-N 443.529 2.045 30 10 IEEE N#C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCN1C1CC1 749246405 KLJMGWLMNRJJFE-OAHLLOKOSA-N 432.531 2.148 30 10 IEEE COc1ccc(S(=O)(=O)Oc2cccc(CC#N)c2)c(NS(=O)(=O)C(F)F)c1 755149048 IWOHQJPREAZFBU-UHFFFAOYSA-N 432.426 2.493 30 10 IEEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4cccc(F)c4C#N)CC3)C2=O)C(C)(C)O1 764890259 IZTMRJMDVUAUJR-QFIPXVFZSA-N 429.496 2.045 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 767798438 ZYRVTJSREKCLRG-IAGOWNOFSA-N 448.545 2.328 30 10 IEEE CCOc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(C)cc(OC)nc3C)c2=O)c1 781664613 TVCGCJMEVNAQNB-UHFFFAOYSA-N 432.505 2.345 30 10 IEEE C=CC[C@@]1(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CCCN1C(=O)OC(C)(C)C 791716999 FCSFQHJYPOGJMD-KRWDZBQOSA-N 437.415 2.264 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@H]1CCCO1 794579556 LWXCWZYOCAQZTG-CQSZACIVSA-N 431.583 2.362 30 10 IEEE Cc1ccc(NC(=O)COC(=O)c2ccnc(C#N)c2)cc1S(=O)(=O)N1CCCCC1 795968194 XFDHAVRTZBLAFF-UHFFFAOYSA-N 442.497 2.232 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCC[C@H]2C)cn1 798362816 LDEVHUVPFSSYBG-JFIYKMOQSA-N 434.610 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)c3cc(C#N)ccn3)CC2)C1 807490651 JFIIFULNIOYOCN-UHFFFAOYSA-N 437.504 2.315 30 10 IEEE CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777827 WDOKWLPJRVXPAV-IBGZPJMESA-N 428.514 2.028 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1132417768 DNPZVSDBYQQSFW-OAHLLOKOSA-N 445.921 2.202 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 1135983468 VLQUYDFUKPRPLY-SJORKVTESA-N 426.414 2.335 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CCOC)C(=O)OC(C)(C)C 1138001877 SIHALZGCCPOJOJ-MRXNPFEDSA-N 427.542 2.293 30 10 IEEE CCNC(=O)COc1cccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1148969473 HWVCGMGXKOXPBM-UHFFFAOYSA-N 443.544 2.468 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1 1150001407 YYPZXFNCAXDGAJ-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)C1(S(=O)(=O)c3ccccc3)CCOCC1)C2 1179869864 SHSCPPRAVOYLJR-UHFFFAOYSA-N 431.539 2.110 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)c2nccn2C)cc1 1180188499 BPCGXHGQFUJTEW-IBGZPJMESA-N 444.463 2.129 30 10 IEEE CCOC(=O)c1ccc(CS(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 1209136054 APOBSFAFBRVERB-UHFFFAOYSA-N 428.514 2.218 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 1212149213 VZUOGXUDODGJNV-FUHWJXTLSA-N 435.546 2.232 30 10 IEEE C=C(Br)CNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1225432819 OKYKTGVOSHYWOD-LBPRGKRZSA-N 426.315 2.482 30 10 IEEE COc1cc([C@H](C)NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1S(C)(=O)=O 1251613659 IBDJNXJJSPPTGX-WMLDXEAASA-N 444.513 2.289 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCSC4(CCC4)C3)CC2)cc1 1256062821 IWADZXFPEPLSDY-QGZVFWFLSA-N 434.587 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(CS(C)(=O)=O)cc1 1286271755 VGBXCHGSDSSJGX-MRXNPFEDSA-N 445.589 2.247 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286322714 DCENIZBLXPDSDU-OAQYLSRUSA-N 444.624 2.356 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1286437333 DUNGUINBKJUXAY-YCRPNKLZSA-N 448.614 2.141 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CC(N)=O)C1 1286499856 PKAAKDHZOUYFLZ-OAHLLOKOSA-N 427.530 2.132 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)CC1 1286505583 FOAMFWNZVOSSQJ-UHFFFAOYSA-N 435.544 2.282 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286534943 DRLPCHLDHCKAKB-LLVKDONJSA-N 425.331 2.221 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286546901 BHXJXUROFAGHKM-OAHLLOKOSA-N 434.342 2.463 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1286563388 PRLCNXUEUWSLJC-UHFFFAOYSA-N 431.562 2.390 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286564235 MMJPGASFIUGYGS-NQIIRXRSSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286611928 RBMYIGVAXDQYHR-UHFFFAOYSA-N 430.553 2.124 30 10 IEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1286687919 NQMZPQFTCNUATM-QGZVFWFLSA-N 448.568 2.269 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1286711657 ODGFIKOFFMVPSU-VQIMIIECSA-N 427.505 2.050 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C 1286742770 UPQMVIBSXFLINR-UHFFFAOYSA-N 447.499 2.158 30 10 IEEE CN(CCCN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)Cc1ccncc1 1298846600 NQXPKFHZHVSAGR-OAQYLSRUSA-N 448.527 2.139 30 10 IEEE CO[C@H](Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C 1299722536 BKKWSSNTMMCYGB-MIZPHKNDSA-N 446.596 2.166 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cc1 1300118725 FPULIFBRBXTWCF-QHCPKHFHSA-N 449.490 2.056 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1300320368 GDOJSUGPNJKEED-QRWLVFNGSA-N 435.450 2.309 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC[C@H]1C 1300839643 SEIMRDZGOGHLSN-BEFAXECRSA-N 436.520 2.259 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300990078 SZVUMAVXQZFNCH-SFHVURJKSA-N 430.597 2.318 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301483703 UWEBGLUVVHUJJP-LJQANCHMSA-N 434.500 2.309 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1301499605 CQEMLJCWJMSZPP-VQIMIIECSA-N 429.496 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](OC)C1 1301568799 KGRWVMICRHXCTC-HZPDHXFCSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301588159 XSDBWNDXFGDMLI-INIZCTEOSA-N 441.598 2.277 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301606680 VZGMEIAJHOXHBU-UHFFFAOYSA-N 441.605 2.004 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)OC(C)(C)C)C3)c1 1302897172 FEXFTJNQQYRLBR-SNRMKQJTSA-N 447.557 2.116 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1304002331 PJSDERHKYWHRKC-WCLQXYBISA-N 439.578 2.247 30 10 IEEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1305106045 AVAXDESIANGXIN-FQEVSTJZSA-N 442.589 2.172 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 1305948759 GJPPYKMFIBHTGE-SFHVURJKSA-N 429.546 2.204 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(Br)cccc3c2=O)c1 1307288967 OEBFBBYTFVJVFW-UHFFFAOYSA-N 425.242 2.489 30 10 IEEE CCCN(C)CC(C)(C)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1307955238 RMVAPCFRTJZQMR-UHFFFAOYSA-N 428.537 2.165 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C[C@H]1O 1308033539 CMZNSQYPOGUKQP-HXUWFJFHSA-N 444.507 2.158 30 10 IEEE CC(C)(C)N1C[C@@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1312209419 FLVPRKWDTOYNSN-SFHVURJKSA-N 435.532 2.179 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(F)(F)Br)CCOC1 1314115358 ZAZWHZWJTNFWDS-UONOGXRCSA-N 438.248 2.360 30 10 IEEE COCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1316262139 GJKMAKQWIFMEAA-NRFANRHFSA-N 425.468 2.236 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CO)CC3)n2Cc2ccc(C#N)o2)c1 1316337923 YLVPFFCGLMZLOF-UHFFFAOYSA-N 441.513 2.070 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CCO1 1316538713 AHGNEDTXVZCISQ-MDZRGWNJSA-N 437.422 2.308 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccc(F)c1I 1357283799 ZMQYMZFCJOSEPY-UHFFFAOYSA-N 441.204 2.114 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2ncc(Br)c2C)cc1 1357310736 XNYXCZMOSJYDIU-UHFFFAOYSA-N 427.324 2.399 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1358914284 OZVJZRBLGGLIMQ-UHFFFAOYSA-N 444.605 2.318 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358959960 SXZBGGJAPYYSSV-CABCVRRESA-N 440.928 2.210 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358962297 NJUWVPCNPCKSNY-OAHLLOKOSA-N 436.484 2.139 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CC2)CC1 1359038581 BALQCBNPEARZNL-WJOKGBTCSA-N 441.601 2.140 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1)c1ccccc1 1359137143 GKXKHKBQTUHUOC-UHFFFAOYSA-N 432.532 2.246 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccnn2)CC1 1359155203 PMULEEHPYLHICX-UHFFFAOYSA-N 444.952 2.139 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359219749 BLXIDRGNTDOFKK-LJQANCHMSA-N 449.515 2.168 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1360482158 ZPPHUSPOWUMZDY-CQSZACIVSA-N 442.911 2.460 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccnc2OCC(F)(F)F)c1 1441249276 NWSIUEFCZRSFSL-UHFFFAOYSA-N 431.367 2.389 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)NCCNc2ncccc2C#N)C1 1442332808 CHPUBSGQEULRIO-OAHLLOKOSA-N 425.493 2.243 30 10 IEEE C=CCn1cc(C(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)nn1 1456647908 RHGGHBIUZDCWKX-UHFFFAOYSA-N 427.324 2.209 30 10 IEEE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 1464210270 FWQUKKCZYAVFBI-UHFFFAOYSA-N 429.583 2.484 30 10 IEEE C=C(Br)CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1464589483 WBOFDZJILKHFEJ-SFHVURJKSA-N 449.342 2.359 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(C)C 1464867057 ACZLTUBZMCVSAW-MOPGFXCFSA-N 436.597 2.269 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)nc2Br)c1 1464873050 CSOZDKGLZPFMPZ-UHFFFAOYSA-N 428.283 2.378 30 10 IEEE Cn1cccc1C(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1470407611 WMRABIGGLNKXRY-KRWDZBQOSA-N 431.537 2.287 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 1475094867 BXGVNSRXEDOGBS-DLBZAZTESA-N 442.379 2.367 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1cccc(C)c1 1499009741 ULOARBOLDWELDP-UHFFFAOYSA-N 431.500 2.114 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCn2ccnc2C)CCOC1 1502682107 UQHCFBUXMKQUSU-RTWAWAEBSA-N 431.516 2.358 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CC#N 1503275579 YIXALNXWCHOXRH-CYBMUJFWSA-N 425.946 2.061 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1503850232 FMWSENXDIMVLLG-ICSRJNTNSA-N 437.500 2.463 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H](OC)C(F)(F)F 1505071961 HQSAZJXQUGFIPD-WSMBLCCSSA-N 435.422 2.411 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1505264603 YQWYPRDEXKUECC-OAQYLSRUSA-N 426.546 2.198 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(c2ccccc2F)C1 1507655990 BEBNGYMZBPACPK-IBGZPJMESA-N 434.519 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1Cl 1507659917 INVBBSQQKFDUHE-AWEZNQCLSA-N 437.928 2.192 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C2CC2)N(C)C)CC1 1507736882 UWIYZZAUUBTNAX-OAQYLSRUSA-N 438.551 2.390 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)c(F)c2)CC1 1507739213 BLIQMMZDMVAUID-UHFFFAOYSA-N 425.508 2.392 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1507761522 OMUSBGSBFMUFFY-DNQXCXABSA-N 445.608 2.158 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1507925256 CFWWNZMEUAGFRH-MRXNPFEDSA-N 447.609 2.268 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCC2 1508005505 RCTPKISWWRRPRC-UHFFFAOYSA-N 438.511 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](COC)C1 1508072685 FLOCVDYCZHATHZ-INIZCTEOSA-N 429.521 2.127 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1508089038 ICFAGFZWMCVGLU-QYZOEREBSA-N 446.596 2.343 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)cs1 1511538280 MZGQCSAIMAWBNE-MRXNPFEDSA-N 434.591 2.199 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(COC)cc1 1513923149 GEOLODXOJCLGKJ-QGZVFWFLSA-N 432.532 2.412 30 10 IEEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1515066980 BHJYSCWYMLPTHB-UHFFFAOYSA-N 427.509 2.052 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1519290144 BYQJSHSJZUFPDT-NQIIRXRSSA-N 434.585 2.243 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC2(NC(=O)OC(C)(C)C)CC2)c1 1528412578 QADFYNLKNUMBAQ-UHFFFAOYSA-N 441.528 2.307 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 1535349623 IVIWRLKVZKIQFJ-YVEFUNNKSA-N 428.855 2.371 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1539030719 TUIBTOOMLJJKPT-UXHICEINSA-N 435.576 2.213 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1539064146 YWSOGCOYXFPAJK-UHFFFAOYSA-N 438.624 2.477 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1539097529 QHXQOMXTUJTTHT-UHFFFAOYSA-N 441.532 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nc(C)cs2)CC1 1539482330 SJBZQRJPPISHKE-QGZVFWFLSA-N 428.562 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)NC)CC1 1540864525 CLKXGUWZIGQTDR-UHFFFAOYSA-N 430.940 2.253 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C1CCC1 1541112759 KDOPPUVFLKEBJZ-OAHLLOKOSA-N 448.531 2.496 30 10 IEEE CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1542081690 ACEHOQRKYKTJBX-UHFFFAOYSA-N 434.905 2.267 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1543147769 KNBNABQXWUXYQF-AWEZNQCLSA-N 428.514 2.318 30 10 IEEE Cc1nnc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543364752 PHMQGEBWPHIUJS-IXFDDGAISA-N 440.479 2.218 30 10 IEEE COCCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1555486149 GKPCSRZUFQWJQI-JOCHJYFZSA-N 428.585 2.238 30 10 IEEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C(F)(F)F 1555947364 GOEWQAQVTVOGBM-RECGACTCSA-N 438.454 2.392 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCc2ccsc2)cc1 1555990259 FZTJHRJBDRBBSH-UHFFFAOYSA-N 443.554 2.268 30 10 IEEE C=C[C@@](C)(O)C(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1557622663 YNNSLCHKAUEIJB-OPAMFIHVSA-N 433.553 2.110 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cccc(CC#N)c4)C3)[C@@H]2C1 1558066466 SPGDGISQCYEPBO-OTWHNJEPSA-N 440.500 2.407 30 10 IEEE O=C(c1cn(-c2ccccc2Cl)nn1)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032901 NGBXXGULPMTWPI-UHFFFAOYSA-N 425.832 2.438 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1561155284 ZBDUGSBEVKSGPE-HNNXBMFYSA-N 426.491 2.377 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc3cc(Br)ccn3n2)n1 1562821645 FOWDVMAIOIIPMA-UHFFFAOYSA-N 432.282 2.002 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1564531738 XLEPFDJJOAZGDE-UUAJXVIYSA-N 449.552 2.252 30 10 IEEE N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1F 1564628467 UTHFTGNLLZPREJ-UHFFFAOYSA-N 428.848 2.268 30 10 IEEE O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCC#Cc1ccc(C(F)(F)F)cc1 1566250238 NMEMSSUQYGCFBY-UHFFFAOYSA-N 427.382 2.445 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 1570831551 PFMRYOWHSABKJH-QGZVFWFLSA-N 432.571 2.062 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)c1 1585983395 QMUYRQANVCADJL-MRXNPFEDSA-N 429.498 2.013 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)cn2)c1 1587693715 WKRYFEHSDGXJMI-QGZVFWFLSA-N 434.475 2.421 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1588049247 CVKPIFAGJFHLME-QGZVFWFLSA-N 433.578 2.231 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588049521 HTWPEOYXPXSIOZ-LJQANCHMSA-N 444.605 2.006 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(C)c1 1588262072 BYXZYDJFPQMGHS-UHFFFAOYSA-N 431.500 2.123 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1588262868 LHJWLPNXYGLREH-UHFFFAOYSA-N 426.912 2.003 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1cc[nH]n1 1588298181 WFPNDSVNTUHRAT-UHFFFAOYSA-N 442.321 2.320 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)CCOC)CC1 1588780393 OHQGZLUREWCLAZ-NRFANRHFSA-N 435.931 2.280 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCN(CCC)C2)CC1 1588848945 RPJMMKIVJZTOCJ-OAQYLSRUSA-N 436.604 2.365 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)nn(C)c2CC)C1 1595664494 FPOPWBDUGPJEKG-QGZVFWFLSA-N 441.580 2.202 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)C1 1595673880 KXLIEPYMEHLCHL-AZYRPFHASA-N 446.577 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1595798671 RYXQWFUTNJDRRJ-RBUKOAKNSA-N 437.610 2.185 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1596702567 DBKHCQKLSFEMSO-KRWDZBQOSA-N 438.532 2.117 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 1597476709 FMEJEJYASKTHRV-LJQANCHMSA-N 447.557 2.473 30 10 IEEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1597672801 FPLJJOKKCCKCKI-GOSISDBHSA-N 437.548 2.243 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1611798548 WMXDCLZMSWGSCX-LJQANCHMSA-N 427.505 2.149 30 10 IEEE Cc1cn2c(n1)[C@H](Cn1c([C@H]3CCS(=O)(=O)C3)nnc1N(C)[C@@H](C)CC#N)CCC2 1612347088 QIRHZFYXOJMRJO-ULQDDVLXSA-N 431.566 2.001 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(C)COCCO1 1616960926 RUNYUCXMCHOLKN-DENIHFKCSA-N 427.505 2.070 30 10 IEEE C=CC[C@H]1CCCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1620214212 HIAJWVIZBINLPT-KRWDZBQOSA-N 425.533 2.220 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCCN2CCC(O)CC2)C1 1620347820 DEDVUSDECQCPBB-QHCPKHFHSA-N 426.540 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3CCC(C#N)CC3)CS(=O)(=O)[C@@H]2C1 1626056405 BJBZOHOFGZNPGF-NHHFINERSA-N 439.578 2.103 30 10 IEEE C[C@]1(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCS(=O)(=O)N1 1627107894 HUCKQLRNGYTOLY-NQMVMOMDSA-N 444.344 2.088 30 10 IEEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)C(=O)OC 1629617823 ZWBUDVRSXCQQNR-BEFAXECRSA-N 426.494 2.121 30 10 IEEE CCCCOCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1634276039 BXZTXOCAMYZENX-UHFFFAOYSA-N 449.305 2.433 30 10 IEEE C=CC1(CC(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)CN(C(=O)OC(C)(C)C)C1 1635641140 FVCCHZCDEISPRQ-UHFFFAOYSA-N 431.537 2.389 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1636699155 DBAQLLFDVUEHOH-GOEBONIOSA-N 445.379 2.293 30 10 IEEE C#CCN(CC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(=O)OC(C)(C)C 1638891134 QZRARCNZWIIWKE-SFHVURJKSA-N 435.471 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)Cc2ccccc21 1640695803 JPAYOTCPQICQOE-BZROSYFNSA-N 440.500 2.386 30 10 IEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1643888235 JFMJKLNNJZXYLH-HXUWFJFHSA-N 440.569 2.244 30 10 IEEE C=CCCSCCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1644664221 JIGRZWFLGJDJIO-IEBWSBKVSA-N 426.604 2.359 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1S(=O)(=O)NCC#N 1649058059 XGVJAGJMZLVSMR-GCJKJVERSA-N 441.509 2.210 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1651801755 IQVJZYBFOAWAAJ-LJQANCHMSA-N 427.526 2.323 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)C2)nc1 1652331892 KQFQTYFOEOBICZ-CQSZACIVSA-N 433.299 2.488 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)C2(CNC(=O)OC(C)(C)C)CCOCC2)c1 1655723959 ZQQDSBHNHQOOOE-UHFFFAOYSA-N 444.532 2.322 30 10 IEEE C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1656571961 HTZLAKFYQCVYDQ-MRXNPFEDSA-N 428.920 2.425 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 1657632093 LUVNNDUSKMXIMU-NIVCPKKUSA-N 429.561 2.104 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1669282750 BYYGTUBIPDXLJR-FQEVSTJZSA-N 435.590 2.446 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2scc(C(=O)OCC)c2C(=O)OCC)CC1 1672444735 KQDFXMMFVZSRQC-UHFFFAOYSA-N 435.502 2.095 30 10 IEEE COCCN(CCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C(=O)OC(C)(C)C 1681074954 IWJZNBBTAGURJK-SFHVURJKSA-N 446.552 2.423 30 10 IEEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1684684666 IDWLTRBPPOHZGK-VXKWHMMOSA-N 435.528 2.325 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1689851659 UDNHXXQRVIYMAA-AEFFLSMTSA-N 431.562 2.260 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1690088818 XMYLSZSCLSEADH-IIBYNOLFSA-N 434.537 2.120 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)CN2CCCCC2)CC1 1690142079 HQGHAHZFIVLABY-HXUWFJFHSA-N 449.603 2.428 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1690204407 JKYVXOYBLXUVSO-AWRGLXIESA-N 428.625 2.438 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@@H](C)C1 1690310298 ZMJAIRIGJUNMGP-KRWDZBQOSA-N 448.593 2.446 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690664565 XRGYRNFETBBMOT-IBGZPJMESA-N 445.589 2.213 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2(C)C)C1 1690686983 WQSOORZYPKFIMS-ARFHVFGLSA-N 443.639 2.201 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1692527732 FSOUTUNXSSUWPU-ZPMCFJSWSA-N 430.553 2.275 30 10 IEEE CC1(C)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C[C@@H]21 1692850457 ABWZQTZHAQEOEL-HOTGVXAUSA-N 430.459 2.202 30 10 IEEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C1 1697215129 BCGNDCFNRRRLQJ-UHFFFAOYSA-N 429.546 2.399 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C2CC2)c1 1697306879 FAJCJTVZKPWGNK-FOIQADDNSA-N 426.521 2.174 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOc2ccccc21 1698169451 HHFKKEAVDBCQGM-FGTMMUONSA-N 427.505 2.297 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CSCCS1 1698245163 ARFKRLNGHUDVJA-JTOWHCCKSA-N 427.571 2.293 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1698432421 XKGHOJTWSWONOA-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705513338 IOWYXCSVHZAQHZ-UHFFFAOYSA-N 430.578 2.394 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1705579983 AOJHBUOLHOMAJW-DEOSSOPVSA-N 432.528 2.470 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1705632218 JGAMZOAIKPZBJR-UYAOXDASSA-N 430.597 2.013 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2sc(C)nc2C)CC1 1705634577 CDUWZNKTDXJAJK-KRWDZBQOSA-N 432.594 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H]2CCCCO2)CC1 1705650234 ODEDKCXTOGBBLB-OAQYLSRUSA-N 436.560 2.189 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1705664053 IUWRRZTZYZRIPM-FQEVSTJZSA-N 439.585 2.215 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705694223 PNIXEHILFMQXLL-PXNSSMCTSA-N 445.568 2.234 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705726950 SLYLNDMGRMMTNX-MRXNPFEDSA-N 438.623 2.318 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1705860477 IQTWIWLGXROCRF-JOCHJYFZSA-N 443.573 2.090 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1705879344 VMTCMSXMJMNZDB-UHFFFAOYSA-N 436.578 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705898531 OQTATANSQNPREQ-LPHOPBHVSA-N 435.536 2.238 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705906938 UHFATRUKQXKVFV-OALUTQOASA-N 426.565 2.387 30 10 IEEE C[C@@](O)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1Cl 1706901689 HOAAXQLRKHLKMO-NHCUHLMSSA-N 446.914 2.404 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1708254494 HOLXSPGVFYWCBE-SOLBZPMBSA-N 426.521 2.101 30 10 IEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1F 1711815311 HQPKLEWTCCZHSX-ZBFHGGJFSA-N 435.525 2.309 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1712784872 GUMGPLQMMAGKMN-SFHVURJKSA-N 449.602 2.210 30 10 IEEE CSCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1712812689 AEUYCAWLUQAWLD-SFHVURJKSA-N 442.593 2.324 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1722361364 MLEFHMKSOUGLGL-IBGZPJMESA-N 431.562 2.030 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2cncn2)nc1 1722423439 COOMAWYUWIUXTM-UHFFFAOYSA-N 449.906 2.104 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)NCc1ccco1 1722425005 IMIZTJMGDNMGRQ-UHFFFAOYSA-N 432.484 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)C2CCCCC2)CC1 1722450335 DPVSURPGPFYEPG-OAQYLSRUSA-N 442.608 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1722498404 ZPRFPDYGYVNZNF-VGOFRKELSA-N 444.557 2.293 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722696490 AGAQDWGXKJWCHS-UHFFFAOYSA-N 439.564 2.034 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1722700424 JEHWLYBRDWRLMM-QHCPKHFHSA-N 425.533 2.187 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCCc2ccccc2)C1 1722714571 IHKMCXIPBRXJNA-FQEVSTJZSA-N 432.528 2.480 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(C)C)CC1 1729730249 UTXOAIGYJUKPFD-UHFFFAOYSA-N 425.537 2.341 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1740534948 LEHLTRBVZCKQJK-UTKZUKDTSA-N 438.594 2.134 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1740570042 AEUCLFJJLXQSOQ-KRWDZBQOSA-N 447.543 2.145 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740627378 PRMIEMAIYRROJE-IEBWSBKVSA-N 430.574 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCCC1(C)C 1740650594 HAOCFRQPTRFROR-HXUWFJFHSA-N 430.516 2.199 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCOC[C@@H]2CCOC2)CC1 1740693969 SRRSPCOQSKVRAV-IBGZPJMESA-N 427.524 2.283 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](COC)C1 1740960039 JLRLMYWXWOROBJ-XLIONFOSSA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1740963099 YXZXCYLXRIFDHS-UHFFFAOYSA-N 428.581 2.152 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)COCC3)C1 1740970394 KKGFWZKEEVLDLN-FQEVSTJZSA-N 425.533 2.319 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1Cc1ccc(C#N)o1 1741674418 NAUJNVDXGUOOGP-UHFFFAOYSA-N 437.479 2.395 30 10 IEEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1747574546 FQONQTKPLQUMRG-UHFFFAOYSA-N 430.516 2.028 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1748077085 SIFREBZKGPKKOO-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748757581 HGIBHHKXBDFABX-SFHVURJKSA-N 440.573 2.165 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1748820685 HDGURRWHVOBBKZ-GUDVDZBRSA-N 430.578 2.128 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CN(CC(C)C)CCO1 1748836229 RYXIMHYBFXHWJA-LJQANCHMSA-N 426.952 2.423 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C(N)=O)nc2)cc1 1748860583 COEDXCOTZCVNRQ-OAHLLOKOSA-N 435.488 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC(F)F 1748887926 JEHIKMMZNGGQAS-QGZVFWFLSA-N 443.454 2.350 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(=O)NC 1748940762 PGKNSRWVTCCYIB-UHFFFAOYSA-N 440.523 2.065 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CCO1 1749575949 DEBUDNWWVNHMME-ICSRJNTNSA-N 427.505 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1749663572 JSSONNLWZVXFCD-SFHVURJKSA-N 434.500 2.309 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1749678137 XAVYUNMVEAWZMA-HXUWFJFHSA-N 449.559 2.096 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749724540 KYWGDOWDCCUXIB-YLJYHZDGSA-N 448.589 2.348 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC(=C)Br 1760253217 NXOQKBLUWUCJJX-UHFFFAOYSA-N 438.351 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 1760265913 LSXSGRINQZMIAQ-QHCPKHFHSA-N 434.588 2.463 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1760316115 MMQLQRQGNQBTPF-FTRWYGJKSA-N 429.496 2.475 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC)CC1 1760323187 BGSQEGVNVVMJKE-CTNGQTDRSA-N 441.580 2.083 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1760495916 ZVIDGAZHAQRLAQ-SONOPUAISA-N 448.614 2.285 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760771264 AWYCLLTWFVXEQA-UHFFFAOYSA-N 449.559 2.228 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1765255738 KHPANERHYFMNIG-IGGDJGDASA-N 439.545 2.198 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1767087718 FYZDWPBYUJDVCD-SFHVURJKSA-N 437.529 2.068 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1767627418 VULJVBNTMAVIFQ-FGZHOGPDSA-N 442.495 2.176 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1768813863 LZEOABCHFGVRJB-AWEZNQCLSA-N 426.502 2.255 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1770919737 CNUOITLWTNLVGW-SFHVURJKSA-N 429.546 2.114 30 10 IEEE COc1cc(C=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)ccc1O 1772727497 PNXBSOPWKYLXAZ-MRXNPFEDSA-N 443.441 2.259 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)OCCO[C@H]2CCS(=O)(=O)C2)CC1 1850521859 JBGPVCPBXIZDFX-SFHVURJKSA-N 443.525 2.070 30 10 IEEE CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CCC#N)CC1 1850851222 MYGGBRGRCWFSEZ-SFHVURJKSA-N 426.970 2.091 30 10 IEEE C[C@H]1C[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)C1 1851771984 AYVPZCTVWYWLBY-HKUYNNGSSA-N 443.548 2.264 30 10 IEEE COc1ccc(C#CCOCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1852159909 IOJQXPVHNFCPPF-UHFFFAOYSA-N 428.554 2.378 30 10 IEEE Cn1nc(C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)cc1C(F)(F)F 1852160466 MWFFYBGTPRSWOJ-UHFFFAOYSA-N 448.858 2.399 30 10 IEEE Cc1cccc(C(=O)N2CCCN(C(=O)CCON=C(N)c3ccc(C)n3C)CC2)c1 1853407964 VHOLULSUFHERDZ-UHFFFAOYSA-N 425.533 2.044 30 10 IEEE CS(=O)(=O)[C@H]1CCN([C@@H]2CCCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1854016445 FLNNGVDUPIYYME-MAUKXSAKSA-N 437.949 2.046 30 10 IEEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)CCc2ccc(OCc3ccccc3)cc2)CO1 1855053949 HCWDACQXOZCABM-HXUWFJFHSA-N 430.482 2.211 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)C3)C2)s1 1856309463 PALLABSTJNDZMU-DOMZBBRYSA-N 432.443 2.155 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CSc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857074497 KEFSKQDFDLYULO-APWZRJJASA-N 433.549 2.402 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 1858965862 ZCIAFOAOZDQNIH-UHFFFAOYSA-N 449.441 2.134 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc3c(c2)OCCO3)cc1C 1862404549 DLCSYFKCZDZIKA-HXUWFJFHSA-N 425.437 2.345 30 10 IEEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870109426 UILKKRSVALTTGE-OAHLLOKOSA-N 448.414 2.027 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)CC1 1872919282 XBZZRHGATXUVBO-OAHLLOKOSA-N 439.434 2.479 30 10 IEEE C#CCCC(=O)Nc1c(I)ncnc1I 1974854631 IWWHLKXGOFXZLK-UHFFFAOYSA-N 426.983 2.038 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC#CC(=O)O)cc1I 2009916645 WLZSGSZEQWPMRT-UHFFFAOYSA-N 444.225 2.456 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754333 MBABFUGXFWMHMY-RDKCNORWSA-N 436.358 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141674829 OHPPTBGQTSSLOG-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE C[C@@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211432890 DJCOZCSEMPZSJG-HNNXBMFYSA-N 446.570 2.018 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216458247 DXIJJUXZLYPAKB-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CCO[C@]2(C#N)C1 2221947474 KLKSEENGAUYPND-IEGUWTFLSA-N 443.500 2.154 30 10 IEEE C#CCn1ncc(N[C@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2226276311 YEHZPHYSSITMLC-NEPJUHHUSA-N 429.290 2.398 30 10 IEEE CN(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243439071 OVTLTWBWWWHANF-UHFFFAOYSA-N 446.400 2.193 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247835392 KICUMJYPOPCDTK-UHFFFAOYSA-N 437.371 2.381 30 10 IEEE C[C@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2248416220 OUPFXGVJJDZSTR-QWHCGFSZSA-N 437.371 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](c2nc(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255593604 AQPPQXBXYMJXMJ-ZDUSSCGKSA-N 431.302 2.102 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255617465 CNOVCMCOPAWGSE-OKILXGFUSA-N 434.346 2.179 30 10 IEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCN(Cc3ccccc3)CC2)OC1(C)C 2255950102 HLIMHZNICMQMBS-UHFFFAOYSA-N 442.390 2.492 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2258955865 AVHDXYNIWOCGGM-IKGGRYGDSA-N 434.342 2.294 30 10 IEEE Cc1cc(C(=O)N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267132037 KPJVGLMQBSLYGB-DGCLKSJQSA-N 444.259 2.416 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267195473 WRMOZGCUDVBOPG-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267265063 AGRODEGLHPZRKR-HZPDHXFCSA-N 443.353 2.320 30 10 IEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267515224 LEDOPOVNCCUDRV-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@]1(C)CNC(=O)OC(C)(C)C 2267520260 MQCIVQWVDDXUTC-PEBXRYMYSA-N 448.373 2.332 30 10 IEEE Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267601937 DHHSDUGAYJROJQ-QGZVFWFLSA-N 448.369 2.252 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267614930 VKZUZWPXBMZEFV-CVEARBPZSA-N 446.357 2.294 30 10 IEEE CO[C@@](C)(CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267877233 RXIODBINTAKHHS-QHCPKHFHSA-N 441.337 2.128 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298381041 YSQJHZPECVZMNI-JYJNAYRXSA-N 442.387 2.349 30 10 IEEE CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 12545405 VVOMJEZLOYLYNZ-RSOUVPONSA-N 447.516 2.183 30 10 IEEE C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O 35965573 OHWNQUBWSJCGRS-QHCPKHFHSA-N 445.523 2.098 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 39915188 CJISEOWCQJYDSU-KRWDZBQOSA-N 440.518 2.426 30 10 IEEE C=CCS(=O)(=O)[C@@H](C)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 71542095 PEYALQMZEYWFLI-HNAYVOBHSA-N 439.530 2.446 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1 437511691 HFPTZECCHFRVIO-UHFFFAOYSA-N 435.500 2.464 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440372433 FCJZXTOUWBKEKL-AWEZNQCLSA-N 428.473 2.354 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@H]1CCCO1 447778367 IXFWWIDYJNSASQ-LJQANCHMSA-N 448.548 2.003 30 10 IEEE CN1CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1C#N 474785797 NFVHOSTWOVULHJ-SNVBAGLBSA-N 434.075 2.333 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccccn1 481367411 DQKPTDPAEVLXCW-INIZCTEOSA-N 449.602 2.290 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 488256799 AWYXPGDXMSBJGR-RBUKOAKNSA-N 426.517 2.422 30 10 IEEE Cc1ncc(S(=O)(=O)NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1C#N 489690046 VCQCINSWJBQQJG-CQSZACIVSA-N 429.420 2.290 30 10 IEEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@H]2CCCO2)c1 497573575 XBIOAXHCMHEJFI-HXUWFJFHSA-N 445.544 2.487 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C1 505017989 DEDDAOHNCMVUOK-IAGOWNOFSA-N 446.573 2.444 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 509013383 TYQLPVIMBAOGHW-LJQANCHMSA-N 449.577 2.221 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)n(C2CCCC2)c1C 511125999 ODTBFHGREUQBOA-SFHVURJKSA-N 435.594 2.386 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2csc(N(C(C)=O)c3ccccc3OC)n2)CC1 514712579 JGZFCHVHZCBUBK-UHFFFAOYSA-N 443.573 2.256 30 10 IEEE CCc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c1 560427228 AHTCWMURHPEBIA-UHFFFAOYSA-N 432.549 2.376 30 10 IEEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC(C(=O)NCc3ccccc3)CC2)C1=O 726584754 GVOFHIQSNVFADE-UHFFFAOYSA-N 445.523 2.308 30 10 IEEE CN(CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C1=NS(=O)(=O)c2ccccc21 728829736 AVLJZXJRSNYCEZ-UHFFFAOYSA-N 438.509 2.009 30 10 IEEE N#Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cc1 741971714 NPCQMDFHSCVUPF-UHFFFAOYSA-N 448.932 2.203 30 10 IEEE C[C@@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC1(C#N)CCCCC1 752608009 CIVZJVDKZCWQPY-HZPDHXFCSA-N 435.546 2.315 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C(=O)O)CCOC1 757303409 CKLKXQBAVAIDQG-OFVILXPXSA-N 448.475 2.277 30 10 IEEE C[C@@H](CC(=O)OCc1csc(N(C)C2CC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 758439915 HCGCUXLDWHMHMM-LBPRGKRZSA-N 434.543 2.302 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)c(NS(=O)(=O)C(F)F)c1 766207595 QPNWECODYKZFKJ-AWEZNQCLSA-N 437.490 2.362 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2scnc2C(=O)OC)cc1OC 768025484 PAVRQOVWNBQRBG-SOFGYWHQSA-N 438.483 2.021 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(-c3ccccc3C#N)c2=O)cn1 772304542 VKCATAGCWZEPRE-OAHLLOKOSA-N 429.505 2.186 30 10 IEEE C#CCN(C(=O)NCc1cccc(Cn2cnc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 774187512 PKHKJCZNEYOQAB-FQEVSTJZSA-N 436.537 2.417 30 10 IEEE CN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=Cc1c(Br)cnn1C 781941116 SNJZBVYLTWDNGC-UHFFFAOYSA-N 447.318 2.456 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1C#N 785588753 SQSKNQATDRAYAK-UHFFFAOYSA-N 434.496 2.126 30 10 IEEE C#CCN=c1nc(N(C)CCc2ncc(C)s2)[nH]c(N(C)CCc2ncc(C)s2)n1 804575905 WTXGIHHNZGBNDI-UHFFFAOYSA-N 442.618 2.226 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 805787051 ZNQGYGVDPYAWNM-YADHBBJMSA-N 448.571 2.216 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H]2C[C@@H]2C(F)F)C1=O 807936205 XLBFIZZWHQSVAW-CWRNSKLLSA-N 435.500 2.211 30 10 IEEE C[C@H](F)CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 814709379 AUOYLUKUKZMPLE-AVECHNBMSA-N 430.509 2.491 30 10 IEEE N#Cc1cc(S(=O)(=O)NC(=O)c2cnc(OCC3CC3)cn2)ccc1Br 821618763 URXDZVCXHFVSOW-UHFFFAOYSA-N 437.275 2.018 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCCCOc2ccc(C#N)cc2)CC1 919012609 XPKNUUKQDPXJJT-UHFFFAOYSA-N 446.529 2.311 30 10 IEEE COc1ccc(C(C)=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)c(OC)c1 1084123875 NLXWMHYZIBUHEP-UHFFFAOYSA-N 434.507 2.240 30 10 IEEE COC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1132282673 YNVMIQZBICJPNF-QUCCMNQESA-N 446.463 2.203 30 10 IEEE COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(C#N)c3Br)C2=O)c1 1139685334 YROGBHYJSANHLG-LJQANCHMSA-N 443.257 2.441 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c[nH]nc1C(F)(F)F 1194802045 JWQYCNFRPUXMNE-UHFFFAOYSA-N 436.456 2.452 30 10 IEEE C=CCC1(NS(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)CCOCC1 1212433127 LUPFRLALRACXIA-VOTSOKGWSA-N 425.503 2.294 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1c(C(F)(F)F)nn(C)c1Cl 1219819240 GWGSIJQMCFGUPX-SECBINFHSA-N 428.806 2.497 30 10 IEEE CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(CC(F)(F)F)CC1 1227632887 QYXLRXIITXTERY-SFHVURJKSA-N 437.466 2.327 30 10 IEEE N#Cc1ccc(OC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)c(I)c1 1270731112 VHFYLJAJCBIZTN-BDAKNGLRSA-N 438.143 2.383 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286282967 RBDOJQUBTGILTO-QZTJIDSGSA-N 432.528 2.446 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1286313652 CIMUEHYBQYDHGS-UHFFFAOYSA-N 425.493 2.007 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286325651 XUNNLMRGZHPKKV-UXHICEINSA-N 428.581 2.066 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286389794 QYRIRFMDWQNQCN-QAPCUYQASA-N 432.521 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC(C)C 1286403909 MJGZNUHYAWFCPT-UHFFFAOYSA-N 431.338 2.034 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@@](C)(CC)O1 1286462661 QHODKXAXWDGGFD-KSFYIVLOSA-N 429.521 2.440 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286832631 MHUFTSFHXDRKSF-ROUUACIJSA-N 434.610 2.283 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1287085248 CSBCMQKREIGRPK-NOVUIFNWSA-N 428.562 2.066 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1288525884 RDDNYWRMTWXZRY-WBVHZDCISA-N 444.540 2.107 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)c1 1290941702 CJTCATOKEZGWQZ-OAHLLOKOSA-N 434.539 2.346 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1291720919 BKXDTAUEOGUISL-UHFFFAOYSA-N 428.514 2.067 30 10 IEEE CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1293594192 IHQUGKQEYUXPTM-MSOLQXFVSA-N 428.537 2.232 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1297800603 CRCACJYIFFZRAX-MSOLQXFVSA-N 444.557 2.166 30 10 IEEE O=C(N[C@@H]1CCN(O)C1=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 1298427614 WQQHZHAVPJACFW-OAHLLOKOSA-N 431.495 2.422 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1300273735 RJMGWYWGBSZDEC-DLBZAZTESA-N 428.562 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCOC1 1300511560 LYHUVGXMPNKMGR-IBGZPJMESA-N 433.281 2.071 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@H](C)C1 1300528116 PZDYUJQBXFYHIS-MSOLQXFVSA-N 440.573 2.126 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300718536 RUFPNQQTDPVZEH-DENIHFKCSA-N 446.555 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1300805476 DVDINIKMCJZJSF-SIKLNZKXSA-N 428.558 2.367 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1301185759 JNBZHNQVEFMYDO-SFHVURJKSA-N 435.532 2.263 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCOCC2(CC2)C1 1301517644 ADIALDBSIMQMRO-UHFFFAOYSA-N 441.532 2.175 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301595533 VMORUEMAZGSSGF-MRXNPFEDSA-N 443.577 2.340 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301612125 VTRUJIHQHYCSGH-KRWDZBQOSA-N 427.640 2.400 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCCS2)cc1 1302993866 HBHCTLZWKIFOCN-WMZOPIPTSA-N 426.546 2.326 30 10 IEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 1303880270 HNFJDHJHEZZSGO-DENIHFKCSA-N 443.573 2.381 30 10 IEEE N#C[C@]12CN(C(=O)NCc3cccc(Br)c3Cl)C[C@H]1CS(=O)(=O)C2 1312870406 MIGDMQOVFTYJLD-XHDPSFHLSA-N 432.727 2.182 30 10 IEEE CCOC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1314049714 VLMVXCXQLHFLHP-UHFFFAOYSA-N 433.520 2.143 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1315754311 JSEMVHLGGSLDKH-UHFFFAOYSA-N 448.474 2.177 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1316229460 NBSBZTQNOQBULZ-LAUBAEHRSA-N 430.484 2.083 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(F)F)CCO1 1316538107 GUDZODGKYQGWNW-LLVKDONJSA-N 431.241 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC=CO1 1358991530 FBPKVQOQVKGPJQ-GOSISDBHSA-N 428.496 2.348 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1359113231 CVTFHCGPTRDWBT-KRWDZBQOSA-N 437.610 2.231 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(=O)(=O)CC)CC1 1359176360 VHYHAUGFKYJZNE-UHFFFAOYSA-N 433.534 2.016 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1359230975 KRXBRXVOSVEIBB-OAHLLOKOSA-N 438.525 2.119 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1359467347 QWHBFTPZOBDEEA-ZJUUUORDSA-N 448.446 2.089 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1359571945 YWXDYNVARBIGGL-SFHVURJKSA-N 437.504 2.460 30 10 IEEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1360097826 DAKYVVDBTWGZJC-HXUWFJFHSA-N 436.564 2.103 30 10 IEEE COc1ccc(F)cc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1439252336 GTHMFGFQWHTZQE-UHFFFAOYSA-N 445.516 2.466 30 10 IEEE CCOC(Cn1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1)OCC 1446028646 ZWKSPOIVGSTDRT-UHFFFAOYSA-N 427.505 2.367 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(F)(F)F)CC2(C)C)s1 1446861304 OFWUUGXQVWXJJQ-UHFFFAOYSA-N 439.525 2.240 30 10 IEEE C=CCOc1cccnc1C(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1452933593 OGQKGIXMDXOQHE-INIZCTEOSA-N 429.517 2.441 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)ccc2c1=O 1452949947 CMBWYQPGXILKFL-CYBMUJFWSA-N 429.420 2.485 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c1 1454473493 VXOSMIZMBITLFY-UHFFFAOYSA-N 442.537 2.463 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1)C(C)C 1463620935 YKAAPTKCNPPIMN-CYBMUJFWSA-N 435.283 2.322 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CN(c4ccc(F)cc4)C3=O)CC2=O)cc1Cl 1466795360 ZNYXGLRQBOPGLV-UGSOOPFHSA-N 426.835 2.235 30 10 IEEE Cn1cc([C@@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)C[C@H]2NC(=O)OC(C)(C)C)cn1 1469282014 NQRHVLYSZSDQSN-ZWKOTPCHSA-N 438.484 2.020 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)CC2)nc1 1471037598 DCKOWCLJPAJGBC-KRWDZBQOSA-N 442.882 2.383 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1471227705 XQUVVARUZTYKJJ-UHFFFAOYSA-N 425.485 2.457 30 10 IEEE Cc1ccc(S(=O)(=O)C2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 1471701721 IBASFJHYNHGINN-UHFFFAOYSA-N 425.510 2.061 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 1471833229 SLIOPFNBQVMCQB-PMACEKPBSA-N 443.544 2.227 30 10 IEEE CCOCCOCc1cccc(CNC(=O)CN2CCc3c(sc(N)c3C#N)C2)c1 1473858758 WSWZSBLARPCSFP-UHFFFAOYSA-N 428.558 2.430 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2cc(I)cc(C(=O)OC)c2)CC1 1476353719 IRCORXDCJLTPNB-UHFFFAOYSA-N 442.253 2.460 30 10 IEEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(OCCOCCOC)c(Br)c1 1477162008 KQXIPUCJYLFGJF-OAHLLOKOSA-N 427.295 2.357 30 10 IEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)CCC1 1504632674 FMBLELIAWKHIJG-BGYRXZFFSA-N 441.532 2.395 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1504884882 FCFQYURTRFXHOM-UHFFFAOYSA-N 431.500 2.041 30 10 IEEE CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1505145987 HOKAAMZXQIWPJW-HXUWFJFHSA-N 442.589 2.111 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1507549981 CXVXANYBBVXPJZ-SFHLNBCPSA-N 437.544 2.389 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507593718 FEIILHISYUXZEP-UHFFFAOYSA-N 447.587 2.410 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(Cc2ccccc2)c1 1507641267 BMVHSQUMFOSRJN-VWLOTQADSA-N 444.539 2.296 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC(C)C 1507644572 KKAIBGQLEPDDDJ-UHFFFAOYSA-N 449.964 2.008 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1nc2cc(OC)ccc2n1C 1507652110 XPASBKHOTFOFFA-UHFFFAOYSA-N 425.496 2.280 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCCC2)CC1 1507731996 HIMBWBLNOWFFKJ-HXUWFJFHSA-N 440.567 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1507773519 RYRMGSIJOQIYSH-MTNREXPMSA-N 428.558 2.080 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507859425 VWXMYKWTIFSLRM-MRXNPFEDSA-N 425.880 2.042 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1507970588 BXFGZUQQTRCKQX-IBGZPJMESA-N 438.532 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1508074053 NREHBKSDSLSUNU-MRXNPFEDSA-N 426.912 2.371 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nncn2CC)C1 1508119366 VZTVQENRCCQZKV-QGZVFWFLSA-N 439.520 2.403 30 10 IEEE CC(=O)N1CCC(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1508205708 BFFSXXVIJPSTTC-OAQYLSRUSA-N 438.532 2.153 30 10 IEEE CC(=O)N1CCC(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1508207509 NPVSHALUMHKCFA-VGSWGCGISA-N 432.569 2.173 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1515869671 GDVXKMFDLNSQRU-RBUKOAKNSA-N 434.610 2.185 30 10 IEEE CCOCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1516445994 FVLVOHNPRXDCPT-GHTZIAJQSA-N 447.536 2.207 30 10 IEEE COc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1518304865 BNAAWQRCEFXXOD-BBRMVZONSA-N 435.431 2.169 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOC2CCCCC2)cc1 1521110822 ROCXEKPRXAVGNK-UHFFFAOYSA-N 438.532 2.404 30 10 IEEE C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCCN1C(=O)OC(C)(C)C 1528919174 CSEYIODIHRFWCB-ZHRRBRCNSA-N 441.536 2.165 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1CCCO 1538965821 QEUHCXMQADHXPZ-PZJWPPBQSA-N 438.576 2.452 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1539149377 SLSVHGCWUPJNQX-LBPRGKRZSA-N 445.467 2.033 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1539225321 MVZJACSPDPPXCU-IBGZPJMESA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)C(C)C 1539232683 MIKRRBYHWRHHNU-JOCHJYFZSA-N 427.936 2.341 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCc2nccn2C1 1539278461 DDBZASHTLCFPSC-LJQANCHMSA-N 430.512 2.398 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC(F)(F)C1 1539406271 XLKHXVCSOKATFG-MRXNPFEDSA-N 442.474 2.442 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CCOCC2)CC1 1539453712 CKSFYAAYXDDMPW-UHFFFAOYSA-N 446.646 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCC(=O)NC2CC2)CC1 1539475695 MTDMXEAODOCMSZ-UHFFFAOYSA-N 448.571 2.278 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CCC)C(=O)C1 1539627688 KXQIYTRKJDNQFG-FXAWDEMLSA-N 425.537 2.165 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539717653 OSQVKPURLRBKND-HXUWFJFHSA-N 442.539 2.315 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1539735127 FVTCLIMIOBEGMP-QFIPXVFZSA-N 427.505 2.011 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1539751281 JZODWVCSCFMCRM-RTBURBONSA-N 438.594 2.168 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539813237 ZXACAKAYZHEOGX-HNNXBMFYSA-N 429.999 2.449 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 1540625855 LYCXJTALUQMKDT-KRWDZBQOSA-N 443.500 2.006 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 1540870495 OVNLPSYESOIBKA-ROUUACIJSA-N 438.580 2.237 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 1540891430 UIVHYQZUIJNARQ-VQTJNVASSA-N 442.539 2.282 30 10 IEEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541427858 CFYXACZJVCOTQA-LJQANCHMSA-N 430.578 2.266 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCCS(=O)(=O)c1ccccc1 1541801658 AITIDDJOLHTLFU-MRXNPFEDSA-N 425.518 2.337 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543348601 OJPKZRDLRCXMOD-PXBNPBHZSA-N 442.907 2.344 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[C@H]1c1cccnc1 1544200979 SCHFQYOTEBUUEM-YADHBBJMSA-N 438.459 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCN(C(=O)CC#N)CC1 1545534966 XNNFGALUNGGLHF-IBGZPJMESA-N 439.516 2.188 30 10 IEEE Cn1cnnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1554352361 DPGXSAJLHDVOLD-ZDUSSCGKSA-N 449.302 2.069 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1555943213 DNEHXBGTAJZTEU-DNVCBOLYSA-N 429.546 2.255 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc(C3CCC3)n2CC(=O)NCC(F)(F)F)CC1 1555990219 FQICABMKBLVOTO-UHFFFAOYSA-N 447.465 2.422 30 10 IEEE COc1cc2nc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c(=O)n(C)c2cc1OC 1556363220 HMMGIKJBCNVOHK-UHFFFAOYSA-N 433.468 2.043 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)n1 1556460995 LWUAOROZNIWPOQ-UHFFFAOYSA-N 436.434 2.459 30 10 IEEE CCn1c(O)nnc1C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1557203825 KXNBHAYLRWXKKH-UHFFFAOYSA-N 434.294 2.423 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 1561945551 CRELHWXRKKNPGD-QGZVFWFLSA-N 425.388 2.085 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)C(=O)OC 1568154611 MJXWABYNWDAVDQ-QGZVFWFLSA-N 434.489 2.290 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1570093049 CRCRTINLPNJZSR-GAJHUEQPSA-N 440.500 2.344 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3cccc(S(=O)(=O)NC)c3)n[nH]2)c1C 1584700586 GJDKNMWSKPCFEC-CYBMUJFWSA-N 442.545 2.475 30 10 IEEE COc1ccc(C(=O)N(CC#N)c2ccc(F)cc2C)cc1S(=O)(=O)N1CCOCC1 1587654175 WCWACYBFWMVYDN-UHFFFAOYSA-N 447.488 2.334 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC(C)(C)C 1587926751 GSPUEPCNFOHXDP-UHFFFAOYSA-N 429.521 2.345 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCC(F)(F)F 1588161965 DIGZQFXCCGPTNV-UHFFFAOYSA-N 433.434 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(CC)CC 1588219149 NFWNFSCEVHNVMS-IBGZPJMESA-N 445.571 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(COC)CCC2)CC1 1588751249 JTHSZHOTPRBOTM-DEOSSOPVSA-N 445.608 2.281 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C/C=C\CC)CC1 1588836975 PEDMXEJQYYNLCE-OLHLWXQYSA-N 444.580 2.308 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1589216105 JULKFZKKYFXWPT-TXTKFYIRSA-N 441.601 2.475 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC 1595099851 JTBSSXDDJACXCU-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)C(=O)C1 1595516955 MBUSAJBRZWGHJY-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)C2=O 1596977131 DSEIQBIGSHQUSK-NUJGCVRESA-N 438.532 2.103 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1619544049 DMWOBZKLILGHOS-TYPHKJRUSA-N 441.532 2.395 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1619913599 IFJLHQJLJADSHH-SFHVURJKSA-N 426.521 2.174 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cc(C)cc(C)c1 1620024140 DRDGGHURXIRERF-ICSRJNTNSA-N 429.521 2.427 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)ccc1F 1624728378 GFUMWFDSPXMJIV-OLZOCXBDSA-N 429.514 2.322 30 10 IEEE O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N[C@@H]1CCN(O)C1=O 1624906140 BGDDIZKDYAMAEN-MRXNPFEDSA-N 445.451 2.411 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1630300930 SZVIJGXUMJLJCU-LKQLOZHYSA-N 446.500 2.182 30 10 IEEE Cc1c(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)cnn1CCC#N 1635934687 ZNLVQEKSNFJPSF-IRXDYDNUSA-N 426.521 2.426 30 10 IEEE Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1638272812 DVEXWPMUHLCVQA-SAWYMBPVSA-N 438.553 2.368 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(N4CCN(C)CC4)ccn3)ccc2c1=O 1642532592 GNQPFRIOCKUCLF-UHFFFAOYSA-N 436.541 2.270 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1645746702 FNLPRLKQLASKTH-UHFFFAOYSA-N 449.389 2.192 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)ccc1Br 1662783805 GGESGVNEPNGAQK-CABCVRRESA-N 433.349 2.051 30 10 IEEE CS(=O)(=O)CC1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1663512158 DRZVAQUIKAQEKP-UHFFFAOYSA-N 435.365 2.202 30 10 IEEE N#Cc1nc(NC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)ccc1Br 1663862332 BCOSFMMFGNZONS-CQSZACIVSA-N 429.278 2.423 30 10 IEEE C#C[C@H](NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCOCC1 1680450778 MUWLEXAJXCLYRX-INIZCTEOSA-N 434.436 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCc1nc(C)no1 1690005117 SGWQNVFPXHGHOY-UHFFFAOYSA-N 442.321 2.443 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Br)cc1 1690015555 QLFJZULPIUMDHR-QGZVFWFLSA-N 426.318 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCS(=O)(=O)CC1 1690024116 TVRUJRBCRFWPKL-UHFFFAOYSA-N 435.553 2.248 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1690155450 KDYPOKXGDBULFV-GVDBMIGSSA-N 425.624 2.271 30 10 IEEE C=C(Br)Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OCC)CCOC1 1690233549 KGGNMLPAGILYHE-GOSISDBHSA-N 444.374 2.190 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690374599 WSJJGGMRCJZYCZ-SFHVURJKSA-N 431.562 2.219 30 10 IEEE C=CCCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1690467935 MXOFCJSRKRYLRN-QHCPKHFHSA-N 442.564 2.331 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1690669822 PWCSLUHSFBTZKF-UHFFFAOYSA-N 446.914 2.213 30 10 IEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1690738384 KXFKLIBFTZRMOE-QGZVFWFLSA-N 431.562 2.214 30 10 IEEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1694399818 AQRCOKKYHPBLQC-LJQANCHMSA-N 437.548 2.024 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCS1(=O)=O 1694744353 GNMAZMJOKKXTTR-HXUWFJFHSA-N 442.589 2.002 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1ccnn1 1696848332 XPINJQLLKQFMCV-QGZVFWFLSA-N 448.304 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCCc1ccccc1 1705495782 VJOOVHYHCPIXBZ-QUCCMNQESA-N 430.574 2.288 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCSC2)c1 1705504758 CUDPEQRUTUOLSV-FUHWJXTLSA-N 438.557 2.039 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1705523255 NIEUIQRVJPZUBZ-UHFFFAOYSA-N 435.454 2.413 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1705534792 RQCMVBJRRXGYTL-SFHVURJKSA-N 435.594 2.207 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)Br 1705627122 WFPIYBRPBFWMBI-UHFFFAOYSA-N 446.252 2.080 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)no2)CC1 1705634188 MNZLKPONFMRCAU-UHFFFAOYSA-N 430.310 2.136 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1705660549 YAVKIGXFQUZFAC-QUCCMNQESA-N 438.601 2.306 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705703237 SDVIIWLSZZZYGF-NZQKXSOJSA-N 446.640 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)F)C1 1705937439 TYINPJUNJOWQIQ-HNNXBMFYSA-N 425.505 2.346 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1706139398 VODWQTPGUXAJCZ-SFHVURJKSA-N 426.521 2.207 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCOCc1ccccc1 1706869736 RPOQDXJEUWOEIY-KRWDZBQOSA-N 446.577 2.235 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1coc2ccccc12 1706870601 FPVVHPSWWZLYRO-YJYMSZOUSA-N 432.481 2.125 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1711386328 GYWHAOFZDADGJO-UHFFFAOYSA-N 441.499 2.018 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722365168 LFHJAONXBYKGQP-FGTMMUONSA-N 433.603 2.478 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1722525868 CGLKYUNJTWJHEF-NRFANRHFSA-N 431.610 2.289 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1csc(CC)n1 1722726667 HQHHVLVMNIQUAA-HNNXBMFYSA-N 439.607 2.428 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722739156 AUFVOCWACLJQSV-HKUYNNGSSA-N 448.637 2.228 30 10 IEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1722971608 HKMDEOCYALTKJF-JOCHJYFZSA-N 439.495 2.476 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1726821412 CSQCITALXZAKGC-GYCJOSAFSA-N 447.543 2.270 30 10 IEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1730551862 DIKNEXKDHLNFTQ-FPOVZHCZSA-N 441.532 2.397 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1730888298 RQSDRNBEGNVALM-LJQANCHMSA-N 426.521 2.381 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740552889 YJQMYGNSXPANDH-NVXWUHKLSA-N 428.537 2.254 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740622992 MIBNQEZGYPHZJZ-QRFRQXIXSA-N 445.589 2.336 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2cccc(C)c12)[C@@H]1CCS(=O)(=O)C1 1740625425 NQHVOOVQUCJWTE-GOSISDBHSA-N 425.558 2.500 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740639328 UJUBSEWLRHEWOX-XZOQPEGZSA-N 433.556 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCOCC1 1740654765 QEEZXOHKLKOJSR-UHFFFAOYSA-N 445.571 2.092 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(-n2cccn2)c1 1740661179 UDPSALQURKJFIO-UNMCSNQZSA-N 445.527 2.094 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NCC=C)CC1 1740697909 PQNQNMHJFJAIRB-KRWDZBQOSA-N 438.601 2.189 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](CC)N2CCCC2)CC1 1740704900 VUZRZPNEDQQWGN-FQEVSTJZSA-N 437.592 2.124 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740792788 MGEYXGPRZOLROJ-LPHOPBHVSA-N 427.505 2.050 30 10 IEEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1740797661 RWRLCUKTKSEPNU-UHFFFAOYSA-N 440.953 2.338 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1740933906 JXUKTLHBGOVFEE-QZTJIDSGSA-N 437.610 2.411 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCOCC1 1740940381 DFWJRUNRLBAFRX-UHFFFAOYSA-N 438.532 2.311 30 10 IEEE CC(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1741295503 GRBSMMHNCWYWGX-DYESRHJHSA-N 428.468 2.005 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1741801593 BQAPIPFNUSTJPE-IERDGZPVSA-N 442.593 2.058 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1742364963 YKUYNSCFNCBKJU-LJQANCHMSA-N 426.521 2.057 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1748750188 AFQFVURYBFTWHE-OAQYLSRUSA-N 442.608 2.110 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748805422 ROQCVTDOGXOLNB-IEBWSBKVSA-N 443.573 2.447 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1Cc1cnn(CCOC)c1 1748852158 YEZATRXSGGHNHJ-UHFFFAOYSA-N 427.512 2.245 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1748907387 TWFJMSMKGUIKGM-IBGZPJMESA-N 425.533 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@](C)(O)c2ccsc2)CC1 1749008862 CIWMYZFZBCYOIZ-QFIPXVFZSA-N 427.574 2.481 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749083420 GXRMQMBMLBMUAZ-HNNXBMFYSA-N 439.402 2.445 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749240418 ZECMEOSVSMJOPM-KRWDZBQOSA-N 429.521 2.125 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1749554052 ZOKAGHLIVPIRGA-UHFFFAOYSA-N 438.557 2.377 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NC(C)C)C1 1749703971 SSIWFZZKKDSABJ-KRWDZBQOSA-N 427.505 2.022 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CN2CCOCC2)C1 1749714417 JNXYJGVHBVONFP-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCOC1 1749726854 HAYPUYXIGNJJNT-GOSISDBHSA-N 429.546 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@H](C)C1 1749738731 WBCAEWRYQSKTRG-HDICACEKSA-N 434.562 2.114 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1749978463 DREUWIYWZGMMJJ-ICSRJNTNSA-N 449.559 2.084 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1750390124 FTZYEVMMRRYDTF-CVEARBPZSA-N 439.486 2.243 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C(F)(F)F)O1 1752311418 AMZINRRWOKYWMQ-AUJRIZCKSA-N 448.449 2.451 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C1CCC1 1760113982 DILVHXKBNFTPIT-OAHLLOKOSA-N 433.516 2.358 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1760175883 UKEOUSPDDWMREE-PMACEKPBSA-N 429.590 2.115 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1760225902 ZVCRSCITIINBLD-MRXNPFEDSA-N 428.562 2.380 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@H](C)C2)n1 1760252223 LGGVRSSEXIOXPU-BJLQDIEVSA-N 439.564 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1760267228 WHXNELGECPUSDE-UHFFFAOYSA-N 430.512 2.129 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1760279511 BARMIGFHWQADPX-ZWKOTPCHSA-N 429.546 2.374 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCC2)C1 1760539704 TWUGRZBGYMTYKA-SFHVURJKSA-N 446.573 2.435 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)n1 1761940858 DBMAIOPNLCMHPX-GCJKJVERSA-N 427.528 2.327 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1763422613 FBDXXSNXUHCQKK-JKSBSHDWSA-N 429.521 2.392 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1766189514 RRPQEBIBEYOGNR-RTBURBONSA-N 441.532 2.240 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2noc(CC)n2)CCOC1 1767448439 BLJZMNHQNWOCLS-NHCUHLMSSA-N 429.525 2.248 30 10 IEEE CN(C)C1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)CCC1 1768480429 UGJJQAWBTQQUBP-HNNXBMFYSA-N 448.369 2.259 30 10 IEEE COc1cccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1768848202 DRXKSFLEQNYDMT-ZACQAIPSSA-N 447.561 2.252 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1769273163 SFBYKZKSATZYRT-IBGZPJMESA-N 436.495 2.226 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1769586314 GNBVBTYMTOBOGV-XLIONFOSSA-N 429.521 2.394 30 10 IEEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1770606460 LAKSXTRVCKHGQN-ZWKOTPCHSA-N 426.546 2.432 30 10 IEEE COC[C@@H](Cn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1770782917 QSIBHLSVIIVSOA-WCXIOVBPSA-N 436.557 2.306 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)F)C1 1770832388 AQGWSMGEJNFAIW-IENXAOORSA-N 443.458 2.348 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](OC)C2)CCOCC1 1771231680 YGBPEIMPVLUMMJ-FQEVSTJZSA-N 441.532 2.254 30 10 IEEE CS(=O)(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)CC1 1771368188 GJGPBQIGGUXQDX-UHFFFAOYSA-N 426.905 2.027 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cccc(Cl)c4)n3[nH]2)CC1=O 1852330708 LKELFCZHVLMBKE-ZIAGYGMSSA-N 440.891 2.313 30 10 IEEE C[C@H]1C[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)N(C(=O)OC(C)(C)C)C1 1852534960 KRSYPHJNEDTYLK-PKOBYXMFSA-N 443.548 2.264 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1853178698 FAWHZYOGNRBFOF-QWHCGFSZSA-N 441.875 2.403 30 10 IEEE C=C1CCCN([C@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(OC)cc3)C2=O)CC1 1854725100 VLSGAOYKWKESTK-FQEVSTJZSA-N 434.558 2.419 30 10 IEEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)C1(C)C 1856398747 NPKOSFQRLSIMKC-UHFFFAOYSA-N 433.574 2.356 30 10 IEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1 1858983321 JKSWGTIOKBZTIH-UHFFFAOYSA-N 428.514 2.126 30 10 IEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCO)cc1 1862608335 LSVJVYPNLBVPAA-LJQANCHMSA-N 439.420 2.117 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862754124 DORVDZXJIJERCD-PIGZYNQJSA-N 427.369 2.462 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1cccc([N+](=O)[O-])c1 1864702640 CMMDYAGDLYLOTD-GOSISDBHSA-N 432.440 2.481 30 10 IEEE C#CCOc1cn(CCN(C)C)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1=O 1870563665 KRBPDHWQPYMHLJ-DHZHZOJOSA-N 434.584 2.253 30 10 IEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871260214 FUCNVAHLTGBLDO-UHFFFAOYSA-N 440.544 2.124 30 10 IEEE CCCCCCCCCCN1C[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OCC)CC1=O 1872981469 AWLDPMJVVFDPOM-RTBURBONSA-N 437.581 2.256 30 10 IEEE CCOC(=O)c1sc(C2=C(N)N(c3ccc(C(=O)OCCOC)cc3)CC2=O)nc1C 1873920432 NSDGPFUGKLGLLI-UHFFFAOYSA-N 445.497 2.148 30 10 IEEE COCCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Br)ccc1O 1874472931 DVXOZAGBLDBGIA-CAOOACKPSA-N 429.296 2.082 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)c(OC)c1 1874501092 POTQJTXLMYYCDN-ZVBGSRNCSA-N 431.474 2.022 30 10 IEEE CN(C(=O)c1cc2cc(Br)ccc2oc1=O)C1CN(c2nccnc2C#N)C1 1892024902 PWJNOZHPKAFACW-UHFFFAOYSA-N 440.257 2.178 30 10 IEEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1902431763 RCTQCAZORBJVHY-RBUKOAKNSA-N 436.574 2.265 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1908271906 GMYULBYSVCMNAQ-HSALFYBXSA-N 428.533 2.153 30 10 IEEE C=C(I)CN1CCOC[C@@]2(COCCN2C(=O)OC(C)(C)C)C1 1992153657 QXPWBLWEGMJYEP-MRXNPFEDSA-N 438.306 2.273 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 2060818971 WEYWYWWSXZUEKU-WOJBJXKFSA-N 438.532 2.222 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124540360 GQBYXYXQWONKAT-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248405605 VTCQLKYQFNEXQK-HNNXBMFYSA-N 440.733 2.463 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617261 BQPASSIVGSVSJI-KBPBESRZSA-N 434.346 2.084 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631812 FEQCAYKZAGHGDW-KBPBESRZSA-N 434.346 2.179 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644671 BLKRKOZSZTXQAT-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255806131 DKNIOKCBWFSVJX-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255807767 AOQFJNMHOSFUDU-IHRRRGAJSA-N 449.382 2.428 30 10 IEEE CN(CC(C)(C)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2260456763 JURSZUSEZMOUKE-UHFFFAOYSA-N 436.362 2.426 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2264257088 UWKGZMDMQNLIRJ-NMMYMHLASA-N 440.544 2.249 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1 2267149560 OMOSKNVVBUOLHX-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2267170880 BSYIFGRUGNYMRY-OAHLLOKOSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2267495701 PBZDQZBQBMKRJY-WHEQGISXSA-N 447.316 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268636012 YBROISODKQDKLV-UHFFFAOYSA-N 447.341 2.345 30 10 IEEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271393452 DCPRGKZEBFSNGY-CABCVRRESA-N 446.357 2.294 30 10 IEEE Cc1c(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2271950788 AOYFZPFZYNMTHQ-CABCVRRESA-N 448.373 2.061 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(Cl)c2)OC1(C)C 2282497713 UICZNVBOJIMPFB-UHFFFAOYSA-N 443.758 2.167 30 10 IEEE Cn1cc(I)c([C@@H](O)[C@H](N)C#Cc2cccc(Br)c2)n1 2296221397 IKYGXAKNYHPAHX-OCCSQVGLSA-N 446.086 2.200 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc(Br)cn4)C[C@H]3C2)cc1 2297739400 ROFIPDFCZNBUDE-GJZGRUSLSA-N 433.331 2.473 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)n1C 2337186242 RCSKHUZPUNYMQR-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE Cc1cc(CN=c2nc(CNC(=O)OC(C)(C)C)[nH][nH]2)ccc1B1OC(C)(C)C(C)(C)O1 2343588213 JVUVHVZUHQGEIT-UHFFFAOYSA-N 443.357 2.471 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651490 ORNRNEUVKTZIEF-GOSISDBHSA-N 448.369 2.450 30 10 IEEE Cc1ccc(CNC(=O)Cc2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 9860507 JDOGCIILKKZCCF-RTBURBONSA-N 429.567 2.343 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)CC1 27559449 RORNFSKROQERML-JOCHJYFZSA-N 449.555 2.186 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)c1 466106895 KYYGQTHULUXGMB-UHFFFAOYSA-N 442.541 2.270 30 10 IEEE CN1CCN(Cc2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cc2)CC1 469024856 MNSRWPKEYGAPBN-QFIPXVFZSA-N 449.580 2.459 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)NCc3ccccc3OCCO)c(C#N)c2N)cc1 478502864 UOUPMSFSDAOJNH-UHFFFAOYSA-N 448.527 2.438 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1F 488788011 BFKRJQXRIVKWJT-UHFFFAOYSA-N 437.518 2.350 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@@](C)(C#N)C(C)C 495420865 LTKVMIJVUQQPPR-DVJXIFHOSA-N 446.640 2.270 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 508486244 BIPAHAGHESIBGD-YLJYHZDGSA-N 445.589 2.082 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508512224 YLYQUPZZNJXUBW-RXVVDRJESA-N 436.560 2.273 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(F)c1 514768193 DOTMQKHNXYYCHY-UHFFFAOYSA-N 441.488 2.395 30 10 IEEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 521058628 QYECTQYWQZYTDO-UHFFFAOYSA-N 442.527 2.490 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCC1 548113180 KVLHJXNWDRDXET-UHFFFAOYSA-N 433.555 2.170 30 10 IEEE C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1(S(C)(=O)=O)CC1 553476885 WGZOPGKIXLDAFU-CYBMUJFWSA-N 432.502 2.105 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccccc1 558741165 PQHXWJOGFFKFQH-MRXNPFEDSA-N 433.533 2.480 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1OC 609252864 NEQGVGRROIJMQZ-UHFFFAOYSA-N 426.448 2.382 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCC2CS(=O)(=O)C2)c1 615852697 VRZUSNXJJSCINH-UHFFFAOYSA-N 443.550 2.454 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 670216499 LCQLETUVWORFMK-DENIHFKCSA-N 437.592 2.219 30 10 IEEE N#Cc1ccc(CN2C(=O)CN(CN3CCC(c4nnc5ccccn45)CC3)C2=O)cc1 726585156 NMRTWRMHZJJZDZ-UHFFFAOYSA-N 429.484 2.202 30 10 IEEE N#C[C@@H]1CN(C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CCN1C1CC1 732650951 NSKNDAIWAAVMDZ-CQSZACIVSA-N 425.539 2.385 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)cc1 733075782 XRGIFTGRXLLMFM-GCJKJVERSA-N 432.590 2.421 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 740059097 GBASCFFOTCAGOY-UHFFFAOYSA-N 439.541 2.165 30 10 IEEE CC(=O)NCc1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 743440919 WTIJUSXRXSCLST-UHFFFAOYSA-N 431.417 2.393 30 10 IEEE COc1ccc2c(c1)C=C(S(=O)(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CC2 758478448 FHGQZCYAJLFCQJ-HNNXBMFYSA-N 425.514 2.184 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)c(Cl)c3)n(C)c2=O)cn1 773259755 MALQQHUXRUGPJR-UHFFFAOYSA-N 430.892 2.232 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCc3sccc3C2)nc1)[C@@H]1CCS(=O)(=O)C1 774020310 BPMSVDUSUPQBRR-QGZVFWFLSA-N 430.555 2.360 30 10 IEEE C#CCN(C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CCS(=O)(=O)C1 774186509 HWVSSHCUKZAVJE-FQEVSTJZSA-N 436.537 2.417 30 10 IEEE Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 775573848 RFPFKQGVMJZODQ-LJQANCHMSA-N 445.589 2.239 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)CC2)cc1 781401733 ULPDPZJOXQYWPU-UHFFFAOYSA-N 433.873 2.073 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 783462065 IBCFZFGKYSYWEN-UHFFFAOYSA-N 428.452 2.024 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1)C(C)C 790737077 XYOZSZUSBNVUKZ-HZPDHXFCSA-N 426.608 2.419 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2cccc(N3CCOCC3)n2)C1=O 790746167 IIRJNCTVABESOD-INIZCTEOSA-N 445.570 2.248 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCCCC2(C#N)CCOCC2)C1=O 800186977 IQIYDZVUKHLTRN-QFIPXVFZSA-N 443.500 2.414 30 10 IEEE CC(C)(C)N1CC[C@@](F)(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 810626020 JINRSZATZSLJPP-INIZCTEOSA-N 432.315 2.338 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1S(=O)(=O)NCC#N 858075332 QLXXAQUJHXOBAF-IBGZPJMESA-N 440.525 2.363 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 1083945416 UNCNEBQHLKSOEV-UHFFFAOYSA-N 426.462 2.093 30 10 IEEE C#Cc1cccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)c1 1129843760 NAPHICHROLAUMM-UHFFFAOYSA-N 429.221 2.178 30 10 IEEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1129973891 ASCAPGNVGBBXDP-GEQZRMBCSA-N 449.429 2.499 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 1141291562 SUBSNIZZKVKLOC-HNNXBMFYSA-N 445.520 2.461 30 10 IEEE C[C@@H]1CN(c2cccc(CN(C)CCS(=O)(=O)c3cccc(C#N)c3)c2)S(=O)(=O)C1 1169810293 IMOQSBAYNHSEKN-QGZVFWFLSA-N 447.582 2.250 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3nc4c(s3)CCC4)CC2)cc1 1179738956 CHYLSLMJDMYYOT-UHFFFAOYSA-N 430.555 2.188 30 10 IEEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1213442002 BXDSDJLGOCXZPZ-HNNXBMFYSA-N 437.415 2.033 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)CC2)c1 1230534279 CWAKZAYYXZNBOJ-UHFFFAOYSA-N 446.555 2.153 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1-c1ccccc1 1286304198 VEKXFNAJWOCOCC-INIZCTEOSA-N 446.540 2.357 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286325653 XUNNLMRGZHPKKV-WOJBJXKFSA-N 428.581 2.066 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286359420 VOSNYRHSLSRHGL-UHFFFAOYSA-N 449.490 2.019 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1286370109 ZZEGAQJISSCION-AWEZNQCLSA-N 428.443 2.169 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)cc1 1286403626 KPUCCYYRCQXYDE-UHFFFAOYSA-N 437.301 2.256 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1286442487 BERHWBSQTGWQGL-UHFFFAOYSA-N 447.543 2.222 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N1CCCCC1 1286463982 XJLMJMINTJVIEO-UHFFFAOYSA-N 425.533 2.442 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nc(C(C)C)cs2)CC1 1286473833 YNBUSRSOEDLAMY-JOCHJYFZSA-N 444.605 2.314 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1286505901 NFWMODKCYJTKQK-MRXNPFEDSA-N 433.582 2.010 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)C)CC1 1286566686 SQWFHWTXQOGGEO-PGRDOPGGSA-N 430.597 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC(C)C)C(C)C 1286787343 SFBMJVSIWYAORF-UHFFFAOYSA-N 447.609 2.411 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286792006 JRMKXHUHNOHIAE-WOJBJXKFSA-N 436.516 2.179 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1293784600 JCPDBBDQPVRQPU-UYAOXDASSA-N 449.559 2.228 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)CC1 1296307067 AAPLIOPFLRMZTO-UHFFFAOYSA-N 430.516 2.306 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 1296751066 BUBRGQAEYKAKKJ-HNNXBMFYSA-N 431.455 2.164 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300275658 XWKFINZTMPUIHD-OALUTQOASA-N 441.601 2.488 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)c1 1300369467 FLMHSHOBRLFURU-HTAPYJJXSA-N 428.512 2.364 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300416172 ANTKDPAIIJNCIS-NFBKMPQASA-N 449.603 2.056 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424854 NNKIVIXEIORJRL-AUSIDOKSSA-N 431.581 2.473 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(OCC(N)=O)CC1 1300751058 DPYYKDDRFANJCY-UHFFFAOYSA-N 433.965 2.436 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1302320877 KPPKYTUTLSSKPR-UVDDSOTQSA-N 440.573 2.080 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1302873766 FQALCAPQTYQROQ-SFHVURJKSA-N 439.415 2.459 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cccc(F)c2)CCOC1 1303507294 UEUZOKKEAUJYLV-DENIHFKCSA-N 445.495 2.266 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1303633356 FPLXONPPQXMFRP-HNNXBMFYSA-N 427.534 2.063 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCN1CC(F)(F)F 1305148974 LPGLMLILKHXJEY-RHSMWYFYSA-N 447.465 2.168 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1305204881 DCLXUBRPELLZST-SAHWJRBASA-N 441.532 2.272 30 10 IEEE CCCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)cc1OC 1306748484 HCVHRKFQKQRFGQ-KRWDZBQOSA-N 427.505 2.386 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COc2ccccc2C#N)CC1 1307412748 GWVGEIAJZMGNTO-RBBKRZOGSA-N 443.931 2.483 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1315081538 VVBYCHLGNGRDMM-ZHRRBRCNSA-N 443.504 2.221 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1ccco1)N(C)C 1316284557 ALAXJPPVSCKYKF-ONFYXGJMSA-N 432.500 2.340 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1358966729 VOBCORUOOFZXGN-LJQANCHMSA-N 444.605 2.347 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1359020683 MLGWHENEJKBODT-UHFFFAOYSA-N 429.546 2.116 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCOCC2(C)C)CC1 1359033960 XAQHPXAEQWLFJQ-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC)(CC)C1 1359295609 HZILOGLHHLKVEP-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCCCO1 1359296440 JIJXHZBMCOZWNU-KRWDZBQOSA-N 427.505 2.024 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1360474768 VKPGJOFCHBXZDV-MRXNPFEDSA-N 449.515 2.103 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(CN3CCCC3=O)c2)s1 1443360875 KZBRDZUXPMFKON-UHFFFAOYSA-N 447.582 2.194 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)OC 1463854158 LDCKERLKHGKJTF-SNVBAGLBSA-N 425.098 2.055 30 10 IEEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCN(CC)CC2)C1 1464988625 GWMMWEYJDUJSKJ-UHFFFAOYSA-N 435.594 2.263 30 10 IEEE C#CC[C@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1465154405 XBAZESSTZDKAAO-QGZVFWFLSA-N 436.578 2.477 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 1475949047 OXHJIZXWWFQSOG-INIZCTEOSA-N 431.514 2.416 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C1 1505314894 KSNXFEUBCPKPNO-OXJNMPFZSA-N 439.557 2.362 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507586082 VDKUWOPVHAZPTH-FQEVSTJZSA-N 436.560 2.110 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)c(Br)c1 1507605958 XWTJQNVNMFMPCX-UHFFFAOYSA-N 434.338 2.500 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1507798142 RSOOFFAYWAKPDD-RLLQIKCJSA-N 437.610 2.399 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1507815007 FQYBZRNQLVEKAF-GDLZYMKVSA-N 438.623 2.409 30 10 IEEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507944008 NVFNJLPLCBYPHR-INIZCTEOSA-N 435.598 2.311 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1507968534 UZZFSBFSSUQWJX-FXAWDEMLSA-N 426.583 2.168 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508111511 GQVIGVCIRPSHGM-IRXDYDNUSA-N 449.552 2.147 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)C1 1508124634 LYEMCVZPYHTZKV-IEBWSBKVSA-N 432.546 2.041 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)OC(C)(C)O2 1510147188 ACJUBYMBGTUSDM-ZIAGYGMSSA-N 448.549 2.182 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br 1511975570 ZISMJRVJVKCJAS-NSHDSACASA-N 439.264 2.471 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)c2snc(C)c2C#N)C1=O 1525007738 FBZWUZKFBINLQU-HXUWFJFHSA-N 427.486 2.070 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nccs1 1532066443 BJYKTFPVXQTFME-UHFFFAOYSA-N 425.919 2.097 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1533942306 LFLNEKOAEIITQZ-AWEZNQCLSA-N 438.513 2.440 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C)C2CCCC2)CC1 1539484321 LCXMNADRPSIXGS-UHFFFAOYSA-N 449.603 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539637855 UAWKVNJASDIRPV-KPFFTGBYSA-N 433.578 2.114 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1539640937 KQNNZQKKXIBDJB-QMHWCDLVSA-N 447.580 2.003 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540872759 ZROGMGDLKACENO-OAHLLOKOSA-N 427.402 2.078 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1540875846 ZPXQGIBDHLGXHP-QGZVFWFLSA-N 437.903 2.487 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)cc1 1540877843 HPXCVWFVSBDTOF-SFHVURJKSA-N 432.546 2.020 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1540879999 UCDAPGUSOWAKDR-QGZVFWFLSA-N 440.548 2.121 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1540881035 XFTNIJAHUYTOJT-KRWDZBQOSA-N 433.516 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CN(C)C(C)C)CC1 1540901154 UURHULCNNOZQND-UHFFFAOYSA-N 446.621 2.498 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1541285124 BRQXEAUFQDDLMT-KRWDZBQOSA-N 435.488 2.101 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1541989466 MOMYKUJXIYEMFR-OAQYLSRUSA-N 442.545 2.008 30 10 IEEE Cc1ncsc1CN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1542084329 OPZVMBURWMMYGR-ZPHPHTNESA-N 427.534 2.473 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1 1544078745 LMFIGVKTLPZXDG-UHFFFAOYSA-N 433.574 2.041 30 10 IEEE CCC(O)(CC)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1546042965 DJJGWFVFRWSMAH-XXBNENTESA-N 446.596 2.046 30 10 IEEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1546786694 VFUBLMDLQMAACL-ONEGZZNKSA-N 447.543 2.054 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)cc1 1554873547 VKQGHEJVBUWYMZ-XLIONFOSSA-N 427.505 2.126 30 10 IEEE COc1ccc(OC)c(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c1 1554968813 PNQLEUZVUBXTJA-SFHVURJKSA-N 440.529 2.428 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1557048786 MMMWJFMSVYCMHQ-WBVHZDCISA-N 435.546 2.021 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1557242504 BKABFVQDUCRYBZ-QZTJIDSGSA-N 430.505 2.052 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1558465723 NFPSCWYIJFLLIZ-LBPRGKRZSA-N 436.257 2.306 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C1CCOCC1 1561770867 OVGTWYCBKLPBTE-CYBMUJFWSA-N 434.283 2.082 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588069497 PHVZRXCECXLXGS-IBGZPJMESA-N 432.615 2.443 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1588124348 JNEOUYODOGZDDH-REPLKXPHSA-N 444.539 2.468 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1594802609 DPGNBVSDKWQBSU-KRWDZBQOSA-N 438.536 2.264 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)c2ccccc2)CC1 1595529772 HEPAHUKFXGSSDB-UHFFFAOYSA-N 434.548 2.086 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595569623 KWOKVKZTDDUKGH-LJQANCHMSA-N 439.560 2.333 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2C)C1 1595674073 MDMQSBSAISQEPZ-PKOBYXMFSA-N 433.578 2.335 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595837813 FPEJMZNUNLWTHO-KRWDZBQOSA-N 438.561 2.021 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1596078532 NBKZORKNLPBUIO-MRXNPFEDSA-N 443.978 2.221 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1597064562 KMNYPHGKGQNCMD-CVEARBPZSA-N 425.526 2.105 30 10 IEEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1598130446 DCJNLLXJZIZKOV-UHFFFAOYSA-N 439.490 2.277 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(OC)[C@@H](C)CC(=O)OC 1607956703 LTRQUKLFILTGMJ-NSHDSACASA-N 429.267 2.440 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2cccc(C#N)n2)C1=O 1611045763 CLPYRBADZKPHNO-SFHVURJKSA-N 428.246 2.121 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1611766929 DTJBVYPTECJAAK-ZLGUVYLKSA-N 435.594 2.251 30 10 IEEE CC1=C(C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1611835444 RGEPCYYDVQYVGI-UFVMTTLYSA-N 426.521 2.245 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 1615633514 COENAGLJRWLPEA-UHFFFAOYSA-N 442.589 2.314 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1 1617370572 WUSKKDFQWFCREM-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2ccnc2C)c1 1619135262 CDVNKBCEOBWDKG-HXUWFJFHSA-N 437.504 2.286 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1620307699 JAIYKXZRGGTZEH-DGUGEYBOSA-N 442.470 2.329 30 10 IEEE CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C#N)c(F)c2)cc1 1622239137 HTYASNCDFQLWBN-UHFFFAOYSA-N 425.507 2.005 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](NC3CCOCC3)C2)cc1 1622886914 YIEPPTKENCKTSD-LJQANCHMSA-N 436.578 2.258 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cc1 1623929772 IQRKTUJQWGWTMA-WCIBSUBMSA-N 444.484 2.144 30 10 IEEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919139 UIRJPAKGYSJVPQ-INIZCTEOSA-N 446.433 2.352 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)N2CCCCCC2)C(C)C)s1 1636156913 DPTGXOZUACMVFD-UHFFFAOYSA-N 441.619 2.395 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@](O)(c2ccccc2)C1 1640562261 LBWDEMZVEYBVJK-JOCHJYFZSA-N 427.526 2.016 30 10 IEEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 1642054766 XDNBYQJVSZIVTK-SFHVURJKSA-N 443.573 2.482 30 10 IEEE CC[C@@](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)(C(=O)OC)c1ccccc1 1642547385 CUQQIDIHBGPNHG-QFIPXVFZSA-N 443.525 2.129 30 10 IEEE C#C[C@@H]1COCCN1Cc1nc2c(c(O)nc(=O)n2Cc2ccccc2)n1CCC(C)C 1643379234 GDNRRRXJNUBHSG-LJQANCHMSA-N 435.528 2.227 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@H]1CCOC1 1645665018 UIUYEMKCHGUAMN-HNNXBMFYSA-N 431.518 2.082 30 10 IEEE C=CCN(C[C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1658452801 JNAFKPHCOVWCIP-HKUYNNGSSA-N 440.610 2.087 30 10 IEEE COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc2c1 1660310172 UEWFRIMTQNSPSE-CGYQNGNCSA-N 441.553 2.065 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 1673022038 LDEFLJDXPZWCHI-QGZVFWFLSA-N 436.578 2.213 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccnc(OCC(F)(F)F)c2)n1 1676278040 ZIPRGSOOZUSDMR-UHFFFAOYSA-N 425.411 2.211 30 10 IEEE CCCN(C)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)cc1 1681039785 ASPXMMISKGETGK-XKGZKEIXSA-N 438.981 2.303 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)C1 1685152378 CLCISHILAJPVHL-RTBURBONSA-N 434.581 2.189 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)nc1 1685331550 YXRHNXFWYWTQFF-NRFANRHFSA-N 448.527 2.018 30 10 IEEE COc1cc(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)ccc1C#N 1686389318 ZSWYYEBYDGCDDT-DEOSSOPVSA-N 434.496 2.280 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1689930498 SKZQYPSLCWFECN-MJGOQNOKSA-N 431.562 2.222 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC(C)CC1 1689959546 DCMWKJBVYPJDLS-GOSISDBHSA-N 443.621 2.428 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OCC 1690047196 MIGNXXJLFUSUQQ-FQEVSTJZSA-N 440.569 2.285 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690059545 RXPXOMRTCJLGOO-YOEHRIQHSA-N 428.468 2.005 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690239539 YDCCZOOIXXFNIG-YLJYHZDGSA-N 449.552 2.218 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1)c1ccccc1 1690442071 MBXSZICQYHVWLT-RBUKOAKNSA-N 438.532 2.417 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1690577280 FPSACBVIACQCHH-KRWDZBQOSA-N 431.562 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2ccccc2N2CCOCC2)C1 1690711865 JPJZRYSASLXNSG-HXUWFJFHSA-N 427.549 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1Cc2ccccc2[C@@H]1C 1690729335 MEOVTUKTAPSINS-INIZCTEOSA-N 429.546 2.083 30 10 IEEE CN(C)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1696609432 AJRKLQXEHWDWLO-QFIPXVFZSA-N 434.479 2.482 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1698403421 GZNAZWHIBVNUMR-RMYFCYLKSA-N 429.550 2.377 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705543731 QFWJGKHHGRKRLN-FQEVSTJZSA-N 425.533 2.229 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CCS(=O)(=O)C1 1705569440 CWFYYTOEMUUBHM-CABCVRRESA-N 433.603 2.097 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705638707 UMBFCFCDFHEBPD-FQEVSTJZSA-N 438.551 2.174 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C)CCC2)CC1 1705645234 ONFKUDDXLSMIHQ-QHCPKHFHSA-N 429.565 2.086 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC(=O)N[C@@H](C)CC)CC1 1705646157 STYCETCEYKSPAA-SFHVURJKSA-N 436.560 2.216 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1705844207 XTFSBEFBLFLFJK-JKSUJKDBSA-N 447.552 2.449 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C2CC2)C1 1705929024 JRXBCTQFOIMVCD-KKSFZXQISA-N 431.562 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1705937143 KCAWRZFQMIDBRI-INIZCTEOSA-N 449.487 2.385 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1706937300 IHQLWRMIBGJJQG-SFHVURJKSA-N 430.553 2.193 30 10 IEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1)OC 1708776797 HTTNAFUAVMDQTR-LJQANCHMSA-N 446.577 2.150 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)s1 1709018325 DVGBNXQGGPURMM-INIZCTEOSA-N 436.545 2.241 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C 1710204548 CLYIAWCXEBAKEL-IAGOWNOFSA-N 442.589 2.313 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1710295424 HOUZESIIYLAMRG-TZIWHRDSSA-N 429.613 2.186 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCO[C@@H]1C(C)C 1710697789 KUSPXEWHOORARE-FOIQADDNSA-N 426.521 2.411 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cc(C)on1 1710731648 AHQRLLWTUFVEAJ-UHFFFAOYSA-N 425.468 2.497 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)c1 1711696724 RGUCPWGIXDXEKQ-QFIPXVFZSA-N 436.472 2.177 30 10 IEEE COCCOCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712617101 SUYJQWSIPANPCD-OAQYLSRUSA-N 434.500 2.453 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1722277860 BIKXCLVZMLDRCQ-SJORKVTESA-N 438.557 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1722305724 KZJVNXNBCCSEDW-WFYBUFNSSA-N 440.548 2.181 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1722360224 FKCRLZOQSBJJEJ-IBGZPJMESA-N 437.525 2.024 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722377826 KFNNMMZYSNPBQJ-GOSISDBHSA-N 432.450 2.066 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722410090 QIICVIRCTKOFPN-FQEVSTJZSA-N 431.500 2.360 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)NCC1CC1 1722424210 GBJKOUGUSPYRMR-UHFFFAOYSA-N 446.349 2.320 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1722460213 WDUUGZWNVTWWRT-KZNAEPCWSA-N 440.635 2.188 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1722609030 QETLXNKEKBSUEQ-QFBILLFUSA-N 449.577 2.441 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722691362 UDLPRISYMLYYRP-FYZZASKESA-N 444.624 2.372 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1723866823 HFEDJLUCZRHERR-YLJYHZDGSA-N 442.589 2.172 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1C(F)(F)C12CCC2 1723942387 KSMNKNLCZUOAJH-ZQIUZPCESA-N 442.536 2.454 30 10 IEEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)s1 1725561203 IEQNXDWSCXUCDX-UHFFFAOYSA-N 446.558 2.175 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOCC2CCOCC2)n1 1726059952 XAQPLQWBSCWDBY-JOCHJYFZSA-N 445.543 2.415 30 10 IEEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)cn1 1729330245 WGNAVXVROXXCQW-IBGZPJMESA-N 433.516 2.463 30 10 IEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740626603 MGZFFCRIYJAGOK-YLJYHZDGSA-N 444.557 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc([C@@H](C)O)cc1 1740684603 WBERAQNONNVRDU-MRXNPFEDSA-N 437.500 2.193 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC=C)CC1 1740690527 JYDMQCISCMAGOH-HXUWFJFHSA-N 436.560 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)C2CCCC2)CC1 1740707280 WUDRZFGRQUPDEK-UHFFFAOYSA-N 449.603 2.104 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(=O)N(C)C)C1 1740976950 ASUSVDMHFHAXJI-SFHVURJKSA-N 441.532 2.366 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1N1CCOCC1 1741128877 FJWLCQMNYQNBDL-MRXNPFEDSA-N 436.495 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCC2)C1 1741233183 OSFSOVALTDRAKA-BBWFWOEESA-N 446.552 2.083 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1741304409 CSNTYSFVMBOLIN-AUSIDOKSSA-N 439.564 2.172 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1741801955 IIIVRQJNTMYMBQ-AEFFLSMTSA-N 435.507 2.486 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1747883010 RZAQPPVFNDTYBK-XEVXXXDWSA-N 442.442 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@H]2CCOC2)cn1 1748682021 PBBVQXFIWUSACS-WBVHZDCISA-N 425.562 2.492 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1748842134 DKWROSHNCXBPFG-UHFFFAOYSA-N 441.470 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)OCCc2sccc21 1748948865 YZJSOGLCGHUSKO-NRFANRHFSA-N 431.562 2.052 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCn1ccnc1C 1748959408 SBLICHMTYLSAPI-UHFFFAOYSA-N 430.516 2.422 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N[C@H](C)CC)CC1 1748992833 HNQVOAANNPAPLM-QGZVFWFLSA-N 444.530 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1749015599 YKPQROOAQNTREA-UHFFFAOYSA-N 432.569 2.063 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749689323 HGJFYQQQLSMUQO-UHFFFAOYSA-N 445.589 2.315 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)cc(OC)c2)C1 1749693518 KGKWTNHNWDQQPI-GOSISDBHSA-N 429.496 2.491 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@@H]2C)C1 1749694914 XQINEOWYKBQVBT-RCCFBDPRSA-N 426.521 2.379 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(N)=O)cc1 1749940594 CLUXVCYCLJSGKQ-OAHLLOKOSA-N 427.509 2.281 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1750032502 MOFKKTPLCBZFFV-RBUKOAKNSA-N 427.505 2.240 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnc3n2CCCCC3)CCOC1 1750060757 JNBHONUDVBQVRE-JTSKRJEESA-N 442.568 2.281 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(C(N)=O)c2)CCOC1 1751015585 OGNZECAQLUJSRO-QHCPKHFHSA-N 438.532 2.206 30 10 IEEE Cc1nc(-c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)C[C@@H](C)C#N)cc2)n[nH]1 1751759957 NBAWWLSTZCQPNT-HNNXBMFYSA-N 433.520 2.138 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1)N1CCCC1 1760206752 KWPHTASKGZUDIU-JOCHJYFZSA-N 430.556 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1 1760218718 LUVRQQBGJZBCMK-LJQANCHMSA-N 426.542 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1760266871 PQKHKZZZDJSEMU-XMMPIXPASA-N 437.544 2.081 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760313399 NSZAKMKBSHTOBP-BZSNNMDCSA-N 430.553 2.149 30 10 IEEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1760496857 IXUDQXHWYUPFIT-UHFFFAOYSA-N 426.613 2.344 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760525079 STAWKWPRNBHGJX-WSTZPKSXSA-N 425.533 2.041 30 10 IEEE C=CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760568687 PLIUVPUFXVOTDD-UTKZUKDTSA-N 435.594 2.049 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1760687999 YNALTLYCPMPFRT-CYBMUJFWSA-N 432.326 2.316 30 10 IEEE CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1762419279 RJESEHJDCXOTIA-GOSISDBHSA-N 429.594 2.362 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2c(CC)nn(C)c2CC)CCOC1 1765878906 BDNZNIVOEBDJLK-FGZHOGPDSA-N 445.543 2.279 30 10 IEEE CCCN1CCC(N(C)c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1766098400 FLXYJSPPWQCERS-VZCXRCSSSA-N 429.569 2.239 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N 1767843334 FMYOXBAWMPEMPW-JTQLQIEISA-N 447.384 2.057 30 10 IEEE CCOCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768072625 IVIBBGAFSYSORO-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1769574612 AIKNJRCFJSSNGT-CRAIPNDOSA-N 429.546 2.256 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC(F)F)CCN1C1CC1 1771535837 AQNGVZUQUHQAOK-KRWDZBQOSA-N 447.446 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCCCO1 1772660214 XFKCCJKZNHUYHJ-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE C=C(C)n1c(=O)n(CCCC(=O)NCCN2CCC3(CC2)OCCO3)c2ccccc21 1851115926 HUCUDNKWQXQBEV-UHFFFAOYSA-N 428.533 2.029 30 10 IEEE CS(=O)(=O)N1CCC[C@H](C(=O)OC[C@H](C#N)Cc2ccc(Br)cc2)C1 1852972314 QPAOFRMTDMNYMA-GJZGRUSLSA-N 429.336 2.346 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2nnc(C3CCOCC3)o2)cc1 1853311175 CNQXZYPYUWMMIM-HXUWFJFHSA-N 428.489 2.132 30 10 IEEE C=CCN([C@H]1CCN(C(=O)COc2cc(C)c(Cl)c(C)c2)C1=O)[C@@H]1CCN(C)C1=O 1854330567 MZMZCIXWVUBTLR-MSOLQXFVSA-N 433.936 2.182 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(-c3cccs3)on2)C1)[C@H]1CCN(C)C1=O 1857239550 CMCUBBMUNWVUFE-HOCLYGCPSA-N 428.514 2.111 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F 1862735272 HCEAUBOKMJDUPK-GOSISDBHSA-N 427.388 2.448 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)Cc2csc(COc3ccccc3)n2)c1 1866594959 OIBIXRDWTVDSSR-LJQANCHMSA-N 436.493 2.252 30 10 IEEE CN(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(N(C)C)CC1 1870349890 HKQQJPDJUVUSRE-UHFFFAOYSA-N 437.588 2.387 30 10 IEEE Cc1cccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 1873527193 PADGSFAYKNMHSC-NACCWKTGSA-N 425.308 2.120 30 10 IEEE C=CCn1c(C(=O)NCc2ccco2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593413 PFKVHSLIDKNMIK-UHFFFAOYSA-N 438.488 2.419 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1889619508 SORDRLPTRRZEAE-UHFFFAOYSA-N 433.618 2.027 30 10 IEEE CCn1ncc(NC(=O)C#C[C@@H](C)NC(=O)OC(C)(C)C)c1I 1902015338 YBLRJPDOWBWZGF-SNVBAGLBSA-N 432.262 2.363 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2010225456 ONWIKDXKTLCKKP-ZACQAIPSSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2067678964 NDFZJBDFOWEKKI-QFXBJFAPSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1cc(Br)cc(C#N)c1 2118201299 ODEWINLWYFBWLZ-SFHVURJKSA-N 426.311 2.413 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2174787278 SAGHBPFXUZZRRH-RTBURBONSA-N 429.498 2.229 30 10 IEEE C#CC[C@H](NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(=O)O 2237382895 FYFIJHSLZMAVTP-LSDHHAIUSA-N 439.306 2.478 30 10 IEEE C=C(CS(=O)(=O)N1CC(N(CC)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435519 RUWCOSMGMLPMAF-UHFFFAOYSA-N 430.376 2.445 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247860543 XYLKVOBZFJTHQP-UHFFFAOYSA-N 440.371 2.007 30 10 IEEE CN(C)C[C@H](COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)NC(=O)OC(C)(C)C 2254760033 TUXVVHCPVMBBTE-CQSZACIVSA-N 439.337 2.354 30 10 IEEE C[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC[C@@H]1NC(=O)C(F)(F)F 2254801211 IRJORMBXKYPKTI-YPMHNXCESA-N 431.239 2.413 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CNC(=O)OC(C)(C)C 2255622647 CBYGMKTVNULARW-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255815570 POORZLFCZDFVEB-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255855189 LKWORQXZXMQEIT-OAHLLOKOSA-N 435.330 2.327 30 10 IEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255870535 MDLRUZOMLAJHFR-INIZCTEOSA-N 431.342 2.462 30 10 IEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098166 WSLQTAHNGXOBFF-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2267142600 WJGODDYTDXEZRT-CQSZACIVSA-N 448.373 2.332 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267177266 LPVCYUDQPOGELD-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2267177391 NCVJGANEMKBWRY-UHFFFAOYSA-N 448.373 2.192 30 10 IEEE CC1(C)OB(c2cc(F)ccc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2267407254 PQNPNIFQYXXXHA-QWHCGFSZSA-N 442.218 2.113 30 10 IEEE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)COC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268708965 AEOYLBNFZHAGHV-OAHLLOKOSA-N 446.353 2.457 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268791908 AUEXHVDSXBFYSE-HOTGVXAUSA-N 447.341 2.392 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)cc1OC 2296623818 VRKKDGPQJOTHSR-HXUWFJFHSA-N 442.516 2.037 30 10 IEEE C[C@@H](C#CC(=O)N(C)CC1(O)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C 2302415096 LZNAJRNOAAAYAS-IBGZPJMESA-N 429.561 2.389 30 10 IEEE C[C@@H](C#CC(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302415665 SGZYBGPHESPVJK-AOMKIAJQSA-N 439.553 2.123 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@@H]2OCC[C@@H]21 2310286407 TZGAMLSSUONISK-TUFLPTIASA-N 440.544 2.390 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3cccn3C)CC2=O)cc1 2325882632 VZUWLRLCCYIRNQ-OAHLLOKOSA-N 440.529 2.112 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2327892775 METGWTFLGPBVGK-MRXNPFEDSA-N 445.545 2.447 30 10 IEEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2365210368 YOLHJOMGYLXGTA-WOIUINJBSA-N 436.574 2.001 30 10 IEEE C#CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 9150935 DZNAWYGNQKHILT-MRCUWXFGSA-N 428.491 2.252 30 10 IEEE C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1ccc(F)c(F)c1)C2 14750952 AOPIDFSZMWBALM-KRWDZBQOSA-N 429.515 2.382 30 10 IEEE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)N(CC#N)CC#N)c(C)c32)cc1 40815221 SFSRLQTXRNRJNZ-JJIBRWJFSA-N 439.497 2.405 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C 63297529 NFGAMHYOTXIZOH-UHFFFAOYSA-N 426.477 2.320 30 10 IEEE COc1ccc(CN2C(=NC(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254407673 UFZNPJUDDKYVGL-RHSMWYFYSA-N 426.560 2.347 30 10 IEEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Oc1ccc(F)cc1 466192836 FCRKVTDSOKHISC-MRXNPFEDSA-N 446.504 2.181 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C[C@@H]3CCCO3)c2=O)nc1 474357078 PGBOJHMFTZKNQO-IBGZPJMESA-N 449.507 2.317 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(c3ccc(Br)cn3)CC2)ccc1F 488916203 QLDSNYGTOWTWMN-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=CCc1cc(CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc(OC)c1OC 497706525 WEWXZKJBROGYCL-UHFFFAOYSA-N 444.576 2.176 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccccc4OCC)CC3)cc2C1=O 502061289 LYZAHEAJRXRKQX-UHFFFAOYSA-N 447.491 2.466 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1 504637785 YJOZJBNZTVOXPN-UHFFFAOYSA-N 431.464 2.401 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N(C)Cc1ccnn1C 508871404 FGGCVHACVZMCHF-UHFFFAOYSA-N 441.561 2.286 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 508906017 CGLTYARZHHYLAU-SFHVURJKSA-N 426.565 2.412 30 10 IEEE Cc1cc(S(C)(=O)=O)ccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 510596492 JJJRYWMGSOLZKM-GOSISDBHSA-N 440.481 2.114 30 10 IEEE Cc1ccc(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526685604 BFCFGIMVPOPAKE-UHFFFAOYSA-N 448.548 2.354 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cc(OC)cc(C)n2)c1=O 537396062 UUKJTEYXOAUULQ-UHFFFAOYSA-N 449.532 2.044 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)n1 543876884 IGPCDZFBLQITRR-UHFFFAOYSA-N 448.878 2.085 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(S(=O)(=O)N(C)C)c3)cc2C1=O 552261321 UIJPXFFWSZPSAL-UHFFFAOYSA-N 431.445 2.110 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(F)c1 557849359 NPZSCTQVTMSMHM-KGLIPLIRSA-N 433.436 2.034 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCO2)CC1 559113619 HJFNGQKVWGWWDV-HXUWFJFHSA-N 430.516 2.036 30 10 IEEE COc1cc(CNC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)ccc1C#N 565331988 LXTQHCZNJQECHM-UHFFFAOYSA-N 430.486 2.338 30 10 IEEE N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2-n2cnnc2)cc1Br 584697352 LONHOOQOQXFOFG-UHFFFAOYSA-N 448.258 2.400 30 10 IEEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 611836453 HWORZXWXRWTHBE-ZUOKHONESA-N 441.879 2.239 30 10 IEEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730137120 DHJSVONNVVRAQK-LJQANCHMSA-N 432.590 2.211 30 10 IEEE COc1ccc(Cn2ncc3cc(C(=O)N4CCN(C5CC5)[C@@H](C#N)C4)cnc32)c(OC)c1 732649826 TZGMIDPOAOGQCS-FQEVSTJZSA-N 446.511 2.309 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 742720697 LTHZZMJWGVULPL-RGPMPMONSA-N 432.590 2.415 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 744705972 VDTNFAGBKVZJCN-GOSISDBHSA-N 441.488 2.272 30 10 IEEE N#Cc1ccc([C@@H](OC(=O)c2n[nH]c3ccc(I)cc23)C(N)=O)cc1 745475998 UOXPCDSYDUGIAJ-OAHLLOKOSA-N 446.204 2.423 30 10 IEEE Cc1nc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)s1 751785380 OTBUXCSYBWKFLV-UHFFFAOYSA-N 441.469 2.385 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758767886 GYVORINIQAXNIN-JQHSSLGASA-N 435.569 2.328 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769654888 ULNRTHIGGQJAGY-UHFFFAOYSA-N 447.437 2.439 30 10 IEEE C#CCN(C(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1)[C@@H]1CCS(=O)(=O)C1 774168305 VIVAOUYNUPLHHV-QGZVFWFLSA-N 429.498 2.214 30 10 IEEE CC(C)N1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(F)c(F)c1 779350927 HPUKKAPXAVISQA-YUAKHZOXSA-N 447.486 2.314 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 780848386 MGDCAOGCYCQYBE-JOCHJYFZSA-N 435.505 2.278 30 10 IEEE COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)cn1 790737888 AYQWTNWXSHMIAN-MRXNPFEDSA-N 447.586 2.351 30 10 IEEE CC[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCOC2)O1 794305157 BRQYSJANNPPZIX-VGSWGCGISA-N 449.573 2.082 30 10 IEEE COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802504996 XICCRNXXSSTPQR-UHFFFAOYSA-N 440.939 2.485 30 10 IEEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)[C@@H](C)CCCCC(=O)O 814850751 BENYNQJGJWWHTI-HNNXBMFYSA-N 425.555 2.087 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1134429218 SWNYHDBQMCCJFR-CSODHUTKSA-N 433.530 2.039 30 10 IEEE C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccc(C#N)cc1 1136181995 GVBOSZZMHFKUTE-KLIQENQMSA-N 447.557 2.406 30 10 IEEE CCOC(=O)[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@@H](O)c1cccnc1 1151408770 XRBKFEVKXVAZSN-MOPGFXCFSA-N 428.514 2.147 30 10 IEEE COc1ccc(CN2CC[C@H]2CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1167275831 QOJJLBJJUUIVGN-INIZCTEOSA-N 431.489 2.136 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 1171843354 JLRXHMNZNGTOLX-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE N#CCN(C(=O)CN1C(=O)c2cccc(Br)c2S1(=O)=O)c1ccccc1 1190235758 NFBHQRMUUVTLCH-UHFFFAOYSA-N 434.271 2.150 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)cc1 1228794801 AGXATBIARFTEDA-OAQYLSRUSA-N 428.510 2.385 30 10 IEEE CCC1(CC)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)[C@H]1OC 1231030028 BIOJIUGFUZANKV-PWIZWCRZSA-N 448.589 2.414 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCOCC2)c1 1286304160 USTYTMWSIXNUGE-HXUWFJFHSA-N 447.587 2.478 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1286395691 SXLDGEGGSVMGLF-LJQANCHMSA-N 445.589 2.335 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)COCCO1 1286457482 PXTAVNFLWMLTSH-JTSKRJEESA-N 432.496 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(OC)CCCC2)CC1 1286494971 WWKGOVFITJORKG-IBGZPJMESA-N 429.565 2.445 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 1286514795 PWAAGCSFLNRRIM-HSZRJFAPSA-N 426.565 2.299 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286605077 QZPSBTGCDLKVJW-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1286608905 VIGXMVBBKGMZHF-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 1286960132 CNKKYQGAWXYRLD-ZDUSSCGKSA-N 432.330 2.324 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(Br)cc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1289437467 WQSSXBGONORYMF-LKFCYVNXSA-N 437.237 2.478 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1293849535 CLYACDPNEGJMFU-QGZVFWFLSA-N 437.548 2.038 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1300291068 BBHILHOYTUWFEH-INIZCTEOSA-N 427.530 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1300324174 AUSABZSJHUDCND-QFBILLFUSA-N 432.546 2.291 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc2c(c1)OCCO2 1300431559 IARBNVGVRRRPBM-QHCPKHFHSA-N 426.517 2.402 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300691372 WKJKCWCREFJZCB-KRWDZBQOSA-N 447.486 2.142 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(OC)ccc2OC)CC1 1300719666 LFZYQOZTVGFJPB-UHFFFAOYSA-N 448.527 2.305 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1301040168 DDHQKZBNBBLLQX-HNNXBMFYSA-N 438.937 2.340 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1301166175 QRSZWQJSFYANEN-CYFREDJKSA-N 436.560 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCC[C@H]1C=NNC1=O 1301570251 CJCBYUFDSRXULH-WMZOPIPTSA-N 425.489 2.021 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301601461 DIACEAWGSXNNNA-INIZCTEOSA-N 446.602 2.206 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1302453058 LEJUEWNZIFSMMO-UHFFFAOYSA-N 436.472 2.395 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[C@H]2COCCO2)c1 1302990200 WYKVIDOGUPKSGS-DLBZAZTESA-N 437.422 2.390 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cs1 1304661932 ALFYPMFDPDUOFE-MRXNPFEDSA-N 434.591 2.199 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2ccc(C(=O)OCC)cc2Br)nn1 1309749995 MPNYZRSLXHZMCI-UHFFFAOYSA-N 443.323 2.272 30 10 IEEE CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1311007405 HJGRYHKFRIPTSU-UHFFFAOYSA-N 428.518 2.093 30 10 IEEE C#C[C@@H](NC(=O)N1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1)C1CCOCC1 1313042435 GJADLTASDAPPKU-UXHICEINSA-N 433.936 2.310 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC1(F)CCC1 1314701365 FDQCGWILXHJJCY-UHFFFAOYSA-N 426.496 2.394 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCn1c(C)nc2ccccc21 1316099916 DWKCSEZHUPTMKE-UHFFFAOYSA-N 431.504 2.460 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nnc(-c4cccc(S(=O)(=O)N(C)C)c4)o3)cc2C1=O 1330130151 XMWAFWKEOHALQP-UHFFFAOYSA-N 438.465 2.436 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCOC4(CCSCC4)C3)C2=O)cc1 1334175831 YINBGQSRILQVAY-WMZOPIPTSA-N 442.541 2.324 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1358926766 BUDBCFVABUQFAS-KRWDZBQOSA-N 447.543 2.145 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358965081 NKCOCFVJMMTWRA-SFTDATJTSA-N 442.585 2.229 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CCOCC2)CC1 1359028909 IZQTZXULWLFNJF-UHFFFAOYSA-N 436.604 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1359044479 HDNOMIMPNGVYEO-FPOVZHCZSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359052175 WUOYZRAHXKIRMV-FQEVSTJZSA-N 433.541 2.285 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1359126226 JJKPFLFXZMSOAM-UHFFFAOYSA-N 429.521 2.417 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1359126484 QVBDMLDAPJTYPE-QGZVFWFLSA-N 426.521 2.052 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNS(C)(=O)=O)CC1 1359162645 YKRPHUUAFUSXAF-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359292217 KMAVPSRXKBRYOK-IKGGRYGDSA-N 447.511 2.100 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCSC[C@H]1C 1359305219 WRPOEVBSFXFKAA-MRXNPFEDSA-N 431.562 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N2CCOCC2)C1 1359322719 AXWXWVTUNPFEDF-FPOVZHCZSA-N 441.576 2.380 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1456872860 YCTJGOSFOMTGGS-AVRDEDQJSA-N 447.557 2.379 30 10 IEEE C[C@]1(c2ccc(CNC(=O)c3ccc(Br)cc3C#N)cc2)NC(=O)NC1=O 1464718232 KPGQUMFCKCPKDO-LJQANCHMSA-N 427.258 2.305 30 10 IEEE N#CCN1CCN(C(=O)Cc2ccc(I)c(Br)c2)CC1 1465277110 QVICGRQBNYAKBJ-UHFFFAOYSA-N 448.102 2.264 30 10 IEEE CCOC(=O)Cc1csc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1471807792 SVRSJKUNAVQWOE-ZDUSSCGKSA-N 446.916 2.443 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC(Cn3ccnn3)CC2)cc1Br 1475109595 GOSWDRKKBUVEKK-UHFFFAOYSA-N 428.287 2.152 30 10 IEEE CCNC(=O)C1(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCC1 1478560397 HWLDVZIPAWBFLN-UHFFFAOYSA-N 435.532 2.086 30 10 IEEE N#Cc1csc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 1479442508 UFLOLAJTHDICLA-UHFFFAOYSA-N 445.979 2.336 30 10 IEEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1492967628 NBHWEXGTCZESLX-FSSWDIPSSA-N 435.576 2.273 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1493795426 AIRRFLNOIKVVST-SFHVURJKSA-N 444.605 2.420 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)CCOC1 1502679825 GEENMNNYJWRJHD-VLCRHTCISA-N 434.560 2.493 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504562243 DKOJDJIYTKPZFE-MRXNPFEDSA-N 449.563 2.171 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504615687 TYFOOLBNAXVXAM-WMZOPIPTSA-N 432.475 2.157 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1507630981 AKGNMMGXCZRNAM-VQTJNVASSA-N 449.621 2.021 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccco1 1507710352 FJKSHOYNAQCYPJ-GOSISDBHSA-N 445.520 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@](C)(O)C2CC2)CC1 1507742513 KPHWBRDIXAJGIA-RUZDIDTESA-N 435.572 2.304 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O 1507796839 QWXQHYXTXBOYFS-DOTOQJQBSA-N 439.969 2.456 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1507842826 CWYLJFFKNFDCAM-JOCHJYFZSA-N 437.479 2.227 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1507857207 JXZUIXYWNDGAEU-MRXNPFEDSA-N 440.976 2.481 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 1508161469 MBOIBIGKRYMFCZ-ZACQAIPSSA-N 443.639 2.013 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1517273321 TZUMYQNCKJVNEZ-OAQYLSRUSA-N 433.516 2.481 30 10 IEEE COc1cc(F)cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1518027747 KTKBCMBEAVBMJP-SIKLNZKXSA-N 445.495 2.243 30 10 IEEE COCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1519034159 CVMNVBANQRJQJX-SFHVURJKSA-N 447.547 2.067 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1519165115 MYGPCIFAVFCWSV-ZCNNSNEGSA-N 448.612 2.426 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cccc(C)c1 1519278247 PWLGHFNLBSFNLG-VGOFRKELSA-N 444.511 2.183 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)c1 1527625157 IRQHPRXQLZNKMD-HNNXBMFYSA-N 437.500 2.372 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)O1 1538456136 IBZLHPQKHBWHFH-PWRODBHTSA-N 429.517 2.135 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539045444 URVSRDPIEISZEB-LJQANCHMSA-N 448.531 2.139 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1539176584 RBGXUJYJZMLREA-QZTJIDSGSA-N 433.553 2.268 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539207192 ZTSAKIZAHMJZSJ-ZVZYQTTQSA-N 429.502 2.136 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539232036 YSGISIQSDCBEIJ-AZUAARDMSA-N 444.557 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1CCN(C(C)=O)CC1 1539279253 ZSQNUAGVKOASLA-UHFFFAOYSA-N 435.528 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1539324203 QRGLOCPAZYVWKE-HSZRJFAPSA-N 447.583 2.250 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=C)Cl)CC1 1539445641 BOGCVYDFFXBGFO-UHFFFAOYSA-N 437.935 2.183 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539557776 ZSRCEPZJKFQHKY-XMSQKQJNSA-N 443.573 2.073 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1539641130 LDUCBPMIAKNZGS-AZUAARDMSA-N 432.613 2.203 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1540155471 XDTFIASSYDIOPP-MRXNPFEDSA-N 447.561 2.276 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1C(C)(C)C 1540876708 YTCYHQZHXNFKSF-UHFFFAOYSA-N 430.597 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CCOC1 1540907420 WFSXYROTQZHTFG-GOSISDBHSA-N 443.573 2.355 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1542284431 JMLPETMDJLGPPQ-MJGOQNOKSA-N 438.532 2.117 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)c1 1542686196 JBWYJDLLMMYVHQ-LEWJYISDSA-N 441.532 2.480 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1544266617 YIFRSIGNKPESQP-XMTFNYHQSA-N 446.552 2.156 30 10 IEEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1546786693 VFUBLMDLQMAACL-ARJAWSKDSA-N 447.543 2.054 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1555803037 BYFTZGGVPYKGFQ-UHFFFAOYSA-N 441.355 2.210 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1n[nH]c(C)c1I 1557250363 OIJRWYJGRZYYIN-UHFFFAOYSA-N 449.256 2.425 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 1565629602 DDEAITYWZLNCLV-XUTLUUPISA-N 443.866 2.410 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C)c1cc[nH]n1 1565695940 HPUKTXZTWVHAAB-KRWDZBQOSA-N 434.468 2.443 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CC#N)c2ccc(Cl)cc2)cc1 1584814820 CAOCWHULKULTLO-UHFFFAOYSA-N 434.905 2.476 30 10 IEEE C[C@H]1CC(=O)N(C)c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc21 1586566146 OHVYQLCGYZYJPC-UONOGXRCSA-N 426.498 2.334 30 10 IEEE C[C@@H]1CN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)O1 1587797690 BDUTVGQMHMKONV-KEDYGLERSA-N 434.581 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588041566 XWYGFVZJBAHKKQ-ROUUACIJSA-N 432.546 2.432 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064129 BGIAPSPALLNLGA-HKUYNNGSSA-N 428.558 2.325 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCCS(C)(=O)=O 1588550531 UHVSQBBASXEEGX-UHFFFAOYSA-N 441.532 2.478 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1588811126 AHMCRSWZCPBZTC-OALUTQOASA-N 425.533 2.013 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1588969144 VZHHZFAOYQCOPU-FQEVSTJZSA-N 439.585 2.328 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1593872410 HFSROYLFBPIFMR-INIZCTEOSA-N 449.342 2.484 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4C)CCO3)cc2C1=O 1595524652 LTMJAVOKWRAAHM-FQEVSTJZSA-N 433.508 2.408 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(F)cc2)CC1 1595561921 HQALHEZRRWNEQN-UHFFFAOYSA-N 435.507 2.032 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597337490 PMPGPAZTJAICBE-UNEBPCJRSA-N 441.580 2.068 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OCCN1CCOCC1 1597790020 XEGRWQPTWDGCLX-FQEVSTJZSA-N 445.560 2.321 30 10 IEEE N#Cc1cn(C2CN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)C2)c(=O)nc1O 1607489250 OUYRTLXUUQNHRH-UHFFFAOYSA-N 427.269 2.235 30 10 IEEE CC1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1611787304 SGXDAUMMKAOAGD-QGZVFWFLSA-N 428.562 2.477 30 10 IEEE CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1614095308 FRYXYFTYWCQLLP-MYLKPUPKSA-N 435.532 2.415 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1=O 1614783573 DKHYVJQEUJBSER-XBXGTLAGSA-N 443.422 2.161 30 10 IEEE Cn1cc(Nc2nnc(CCCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1618419090 WSZNHHIMXFHYNA-DQRAZIAOSA-N 446.515 2.457 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(C)C)CC1 1618905635 VSTXKZGGLITVEQ-UHFFFAOYSA-N 442.520 2.432 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1620002159 OLXOTUMBKWIAST-JTSKRJEESA-N 428.537 2.188 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC[C@@H]2CCCO2)c1 1620349360 PANOLFVNBHVBHO-UXHICEINSA-N 438.532 2.104 30 10 IEEE COc1ccc(COCC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)cn1 1621093813 HUNXPQQQGWOXHC-UHFFFAOYSA-N 434.500 2.304 30 10 IEEE COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cc(F)ccc1F 1627680258 QJBYEWDBOUJYHV-INIZCTEOSA-N 426.372 2.045 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1 1631164534 ZLPDXJYDDDODHC-YADHBBJMSA-N 441.553 2.477 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1cccc(F)c1 1632952592 GGKGHFMIHFKOOX-SFHVURJKSA-N 431.489 2.245 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1634497501 DXNDQPDWCYMLAH-CYBMUJFWSA-N 425.482 2.204 30 10 IEEE CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1638018936 OGUAVCDFPJTQAJ-IRXDYDNUSA-N 425.570 2.340 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)C[C@@H](O)c3cccc(C#N)c3)CC2)C1 1654982317 ZQTFMZBORMMZFG-PGRDOPGGSA-N 426.561 2.021 30 10 IEEE CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H]1Cc1ccccc1 1681226245 DFWMUDMFPGYDBM-SLFFLAALSA-N 427.549 2.314 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)O1 1683703727 RMHSLDQSFUDVRE-YTFSRNRJSA-N 442.560 2.127 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N(C)Cc1ccccc1 1689966081 KOKIFPQODVDAFM-ICSRJNTNSA-N 429.590 2.160 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1689981817 BQHIXEUAPREJGW-FQEVSTJZSA-N 442.589 2.037 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc2c(c1)CCO2 1690105926 DREUCKMSUGFYNU-UHFFFAOYSA-N 434.544 2.403 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690245180 DYXRDRKORKWFNK-DZKIICNBSA-N 443.470 2.104 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690506446 OCCYGPGXPGYQOU-SFHVURJKSA-N 447.547 2.253 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1)C1CC1 1690545652 VYOHPQWQYZWLQA-QZTJIDSGSA-N 449.552 2.157 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)CC1 1690737304 HVGGUZGBNPLJCE-UHFFFAOYSA-N 429.546 2.304 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690749864 RSNZOCRCAXEILI-FVJLSDCUSA-N 435.594 2.092 30 10 IEEE CC(C)OCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1692609083 XYVVBPORQJBZKM-SFHVURJKSA-N 446.939 2.405 30 10 IEEE C[C@@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1693692975 OOCBWROTQDKWMO-BFQBXFRASA-N 436.516 2.415 30 10 IEEE CCN(CC)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1695658201 AZHFHEQKGSKXOT-QGZVFWFLSA-N 433.944 2.081 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1697926810 TXCIFZCMKOEXRO-DZCCDHAISA-N 425.533 2.323 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H]([C@H]4CCOC4)C3)n2CC(=O)NCC(F)(F)F)c1 1698484246 HEZDMSJFPWCHRT-IRXDYDNUSA-N 448.449 2.358 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1705480261 SHRCGCGQRJQKFO-VGOFRKELSA-N 427.553 2.143 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N[C@@H](C)CC)CC1 1705644153 ZPUZLSAJHSKAQF-QKNQBKEWSA-N 444.624 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC=CO2)CC1 1705650291 OKZJFAHZNBVJRU-LJQANCHMSA-N 440.573 2.292 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccs1 1705678685 LXRHDGVTLNPNQE-SGXKBVARSA-N 443.573 2.486 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1705758854 FXOBFPYKVFYFMM-UHFFFAOYSA-N 444.923 2.213 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705829179 JSZHCRIJZKOGPC-GOSISDBHSA-N 425.537 2.282 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1705843407 DRUNFPUKWCJQCZ-WDSOQIARSA-N 449.552 2.491 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CCOC)CC2)cc1 1705911438 IAMDAQGRGSWFJS-FQEVSTJZSA-N 427.549 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccoc1 1705937115 JCTXPFKXYCFUTG-UHFFFAOYSA-N 440.529 2.347 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1706163980 FKRQWLQZQMFDQM-GOSISDBHSA-N 449.519 2.212 30 10 IEEE Cc1nc(Cc2nnc(N(C)CCNC(=O)C(C)C)n2Cc2ccc(C#N)o2)cs1 1707751050 FSQFCXFTRLBNSE-UHFFFAOYSA-N 427.534 2.355 30 10 IEEE CN(C[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1711149396 AEAWRQYPKOVLOJ-HNNXBMFYSA-N 434.566 2.196 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C[C@@H](C)O1 1712287010 AHBVFYJELIZLSJ-CXAGYDPISA-N 425.518 2.265 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1712501807 FBJFUUYBPAMPKC-RBUKOAKNSA-N 426.496 2.326 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCOCCCO)cc1 1712880242 BXPQWJNMDAFLLW-FPOVZHCZSA-N 441.532 2.133 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1722294664 RPKFTJNZWIIWMW-ROUUACIJSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1722361000 DGPJGMUGYNICNN-SFHVURJKSA-N 447.580 2.443 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(F)c1 1722428508 GSJKYZPZYWBOOC-SFHVURJKSA-N 434.537 2.038 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1722430478 HSIRPVQYHZWAHE-UHFFFAOYSA-N 442.527 2.161 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C(C)(C)O)cc2)CC1 1722431338 NWCRHULTIZJKDK-IBGZPJMESA-N 441.576 2.033 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1722449196 OAWOYBFBPIPRPX-GHTZIAJQSA-N 438.576 2.291 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722455259 RTMSQCASGKAVHM-QFIPXVFZSA-N 441.557 2.045 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1722463433 BVSRTEXQVRJBJH-UHFFFAOYSA-N 441.557 2.043 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)CCC(C)C 1722466949 IVBXSOMDWDEENA-NSISKUIASA-N 425.599 2.068 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722550698 NSFAXPPEZYHUFY-MRXNPFEDSA-N 444.971 2.057 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722551913 HBGGRTLVTVRERB-UZLBHIALSA-N 443.983 2.005 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722701410 PCOVVPFICLDTDN-QGZVFWFLSA-N 425.562 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740557251 IELDVGPAHPRVDI-QZTJIDSGSA-N 440.573 2.021 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCOC2)c1 1740562562 OTDAZZHJRNBVGO-QHCPKHFHSA-N 435.484 2.054 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(N2CCCCC2)c1 1740658341 KYJBBFXNTVEMRS-UHFFFAOYSA-N 445.571 2.297 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2cnn(C)c2)CC1 1740693048 TXVOQKXEFJTRIO-UHFFFAOYSA-N 449.559 2.280 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1741131170 DMGLBPPYUNKZJQ-YLJYHZDGSA-N 426.521 2.109 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccoc2)C1 1741233632 YPWGALKZWZGCEK-BBWFWOEESA-N 428.493 2.419 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCCCO 1741962603 JEXUPNUWHGJCQT-MAUKXSAKSA-N 435.525 2.402 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccc(C)cc2)CCOC1 1746733055 DUSIZOOXMLMDJQ-OFNKIYASSA-N 441.532 2.437 30 10 IEEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1747461638 WRSUNDIGAQKMHW-WJOKGBTCSA-N 440.529 2.282 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCC2 1748868813 JJKIUYAJFIEVAK-UHFFFAOYSA-N 439.321 2.085 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCNS(C)(=O)=O 1749073747 YCNDOOVSZGUQQQ-OAQYLSRUSA-N 431.562 2.015 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749218839 ZJTPNVXPIDKGON-QFIPXVFZSA-N 442.520 2.254 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749241912 WIZJSVUJXMNPIL-IPMKNSEASA-N 446.596 2.345 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccc(N2CCOCC2)n1 1749596090 QWXIOKDRIUAZPA-UHFFFAOYSA-N 437.548 2.202 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@H](CC)C1 1749679742 AGCQNQDXOOJIGT-GOSISDBHSA-N 431.562 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749726845 GTYAKJHSMOMUFE-KXBFYZLASA-N 448.545 2.136 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1749756012 QBGJBIUVTVPIDK-MRXNPFEDSA-N 434.587 2.368 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1750668870 FZXISOTYXXTFCZ-IBGZPJMESA-N 431.562 2.360 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1751174480 BMMAFPYPDLNXDT-FUHWJXTLSA-N 441.536 2.153 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@]3(CCOC3)O2)n1 1751837691 CRMIYLIIBHLKJQ-ZWDAVXSWSA-N 427.553 2.464 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCO[C@@H](C)C2)n1 1751844756 BDLSPRSQZDWIAO-UGKGYDQZSA-N 444.559 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1760223181 NXGVZSYCACPMDX-UHFFFAOYSA-N 432.459 2.001 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[S@](=O)C(C)(C)C)CC1 1760261809 CRYYWKXIILINGW-PMERELPUSA-N 431.581 2.310 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1760277478 LXALETMKDITNQD-OAQYLSRUSA-N 429.546 2.030 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760282804 QUBTXGJBIKUNPV-OAQYLSRUSA-N 448.681 2.074 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1760406068 QOOCPUVBDUJZIM-WOJBJXKFSA-N 430.597 2.475 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760457484 UNNHLUJAQSTLDA-XUTLUUPISA-N 438.488 2.111 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1760515214 ROWXPSFKQJVGIG-KRWDZBQOSA-N 440.548 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760555776 NFBNKDQBMAVKQU-GOSISDBHSA-N 437.610 2.422 30 10 IEEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1765259205 HMSLHWULNMSIJP-FQEVSTJZSA-N 444.605 2.419 30 10 IEEE CCOCCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766596437 HTDFIPIXMQMGNP-LJQANCHMSA-N 446.559 2.477 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1768130443 AAEBSFRPRUXXHL-PKOBYXMFSA-N 440.504 2.041 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1768274786 DFFMVYYDEDIGCR-UHFFFAOYSA-N 440.529 2.366 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C(C)(C)C)no2)CCO1 1769243282 SGOIGWGSXXQQRL-GOSISDBHSA-N 449.515 2.102 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)NC(=O)OC(C)(C)C 1770653807 USYPGOGPUJQKSF-MRXNPFEDSA-N 442.520 2.479 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)CC1 1849016973 VTPWZIVKHGUGHV-NRFANRHFSA-N 448.564 2.205 30 10 IEEE COc1ccc(N(C(=O)CCC(=O)N2CCN(C)CC2)c2nccc(OC)c2C#N)cc1 1851277520 POKBMVKTKZCVLW-UHFFFAOYSA-N 437.500 2.189 30 10 IEEE N#Cc1ccc(CC(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)cc1 1852724709 OYIWVNWVQKUDSB-NRFANRHFSA-N 440.521 2.250 30 10 IEEE Cn1c(=O)ccn(C2CCN(C(=O)c3cccc([C@H](C#N)c4ccccc4)n3)CC2)c1=O 1852942399 DOYRHTCRCIOLCS-LJQANCHMSA-N 429.480 2.075 30 10 IEEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C(F)(F)F)C2)ccn1 1853615149 RAEPZUOQPUSDSO-CYBMUJFWSA-N 427.360 2.134 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@@H]1C 1854312856 OVANFRWXGHVLLL-YJBOKZPZSA-N 439.965 2.129 30 10 IEEE C[C@@H]1CC(=O)N(C(=O)[C@H]2Cc3ccccc3O2)c2ccccc2N1S(=O)(=O)CC#N 1857463622 MZMUZOGONGWCSJ-AUUYWEPGSA-N 425.466 2.002 30 10 IEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2)cc1 1858983155 GANFGIXWSNGMLT-UHFFFAOYSA-N 428.514 2.126 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2F)cc1 1859013749 LZWABPHQKPZCMQ-UHFFFAOYSA-N 438.864 2.500 30 10 IEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2)cc1 1870157045 LKLXOKXSHBCWCT-UHFFFAOYSA-N 431.500 2.463 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CSCCO 1870207323 LLHOXPCWXBVJCB-UHFFFAOYSA-N 434.514 2.295 30 10 IEEE CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)CCO 1870324209 ZMXXQAQTXWZOEA-UHFFFAOYSA-N 444.557 2.122 30 10 IEEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN(CCOC)CCOC 1870617670 QQHVTXZDRSBEDP-UHFFFAOYSA-N 444.528 2.251 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN(CCOC)CCOC 1870710863 GGONBBMYRYNQCA-UHFFFAOYSA-N 443.544 2.455 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1cc(OC)c(OC)c(OC)c1 1873710579 LCXRUKDTFMEYGV-UHFFFAOYSA-N 447.513 2.107 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccn1C 1874432278 WVKAQBPIQVDQCS-LSHDLFTRSA-N 429.481 2.005 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCCC3)SCC(=O)N2C2CC2)cc1 1889263732 HOJRCRGWJAFFER-YADHBBJMSA-N 427.570 2.058 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCCC3)SCC(=O)N2C(C)C)cc1 1889294362 ZJXONOJYTHCOCI-YADHBBJMSA-N 429.586 2.304 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1889619324 IYBVEGDPJNTPBD-UHFFFAOYSA-N 440.009 2.151 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2060773913 VITBSDVYQATMMB-PWRODBHTSA-N 442.560 2.495 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)=C[C@@H]1O 2067765445 VNQRFQSMJGXGOT-IRXDYDNUSA-N 434.342 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)O2)C1 2084592770 FSXJHZOTQOECJZ-PMACEKPBSA-N 440.544 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124540673 KGSPKUYKTYLHMC-LVQVYYBASA-N 444.341 2.264 30 10 IEEE CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2126930386 FVPSEVAXPHVDFH-QHCPKHFHSA-N 446.353 2.321 30 10 IEEE C#CC[C@@H](NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(=O)O 2237409137 DWFNIRXXDHNDIQ-CABCVRRESA-N 439.306 2.478 30 10 IEEE C[C@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247837693 WQSWPZPIWXJNKX-LLVKDONJSA-N 442.753 2.016 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247866157 HMAPLWCHPMFGKB-CQSZACIVSA-N 440.371 2.005 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255653048 DDJKESLSCBMNPA-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255696611 WQYGGFKGMKMLBF-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837855 WOTMQUAEBAYHRX-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE C[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@@H]1NC(=O)C(F)(F)F 2256889131 AKLFBJGDCCUBRS-RISCZKNCSA-N 431.239 2.413 30 10 IEEE Cc1c(C(=O)N(CCC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2256916998 OEUPWAFXWWOGHS-UHFFFAOYSA-N 427.310 2.145 30 10 IEEE CC1(C)OB(c2ccnc(-n3cnc4c(I)ncnc43)c2)OC1(C)C 2265959237 UQKXBJHHZFTUKO-UHFFFAOYSA-N 449.061 2.114 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2267092208 MPNLBUZIMUHRCP-CABCVRRESA-N 448.373 2.332 30 10 IEEE CN(Cc1nc(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2267190388 NSCSWBUIIMOOSX-UHFFFAOYSA-N 447.301 2.316 30 10 IEEE CON(C(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267196926 HTEQMFCGBNZFED-UHFFFAOYSA-N 447.341 2.312 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267215323 CKTWIYDFXDZHDS-ZBFHGGJFSA-N 446.357 2.294 30 10 IEEE Cc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267229755 DBMSJJIEGIEAII-INIZCTEOSA-N 448.369 2.252 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267497022 IBRLVYISZLMFPX-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527912 ODPOTJLHNDTTLS-MOPGFXCFSA-N 436.365 2.127 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267597077 SWTNFTUVBSKTFG-FUHWJXTLSA-N 446.353 2.255 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879818 LXIBNKDHPBAUOK-CABCVRRESA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268662694 CVJLSSRDSHFANM-HUUCEWRRSA-N 447.341 2.249 30 10 IEEE N#Cc1ccc(Cl)c(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270539062 AXNBEAVRGOLPFT-INIZCTEOSA-N 437.861 2.333 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2271588482 AMTONIYJVOTBHL-SHTZXODSSA-N 449.361 2.291 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2271953638 YJHCONRBDDUYOM-GDBMZVCRSA-N 448.373 2.235 30 10 IEEE Cc1ccc(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278699511 DLBVXNANOLKHJT-GOSISDBHSA-N 448.369 2.186 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc(C)ccc2O)cc1OC 2326737746 ONJJMONSXBRYAD-UHFFFAOYSA-N 441.513 2.360 30 10 IEEE COc1ccccc1C=Nn1c(COc2ccccc2OC)nnc1SCC(N)=O 2328261331 FLRBJPWWWHQRHL-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cc(C)ccc1O 2330770202 AVDYEEJMMQZHOT-UHFFFAOYSA-N 444.561 2.351 30 10 IEEE O=C(c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCc2ccccc2C1 2686712 JWZOHFRLBBVYHC-RTBURBONSA-N 427.551 2.375 30 10 IEEE C=CCn1c(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1C(F)(F)F 20840285 NZXQOWIKTRZSPG-UHFFFAOYSA-N 435.453 2.251 30 10 IEEE COc1cccc(/C=N/Nc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)c1O 59016842 LMNGMWLXQLMXAI-WSDLNYQXSA-N 426.502 2.416 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@H]1CN1CCOCC1 217097762 YYPXJIQXSJYVPK-FQEVSTJZSA-N 431.581 2.138 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)CC1 261434301 KWSOAYIEYVKSIM-QAPCUYQASA-N 446.479 2.408 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 431232350 CHGYAXLYWKVTSX-QRQCRPRQSA-N 444.509 2.324 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 443397795 GWKQOXUICDKIPX-UHFFFAOYSA-N 445.444 2.237 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1 460159425 BDXONBWVMCGFKX-AZUAARDMSA-N 449.536 2.346 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c(F)c1 467132149 RNJPIMHJKFTQGM-UHFFFAOYSA-N 427.379 2.261 30 10 IEEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265416 QOZZYSGZBIZTNB-LAUBAEHRSA-N 439.560 2.241 30 10 IEEE COc1cc(OC)c(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)c(OC)c1 493471912 HATAHPXRQFHIFA-UHFFFAOYSA-N 428.470 2.453 30 10 IEEE COc1ccc(OC)c([C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 500471869 XNDJMNSROJTECS-LJQANCHMSA-N 429.498 2.217 30 10 IEEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508904038 RTOQVAHHRUQZFX-SFHVURJKSA-N 449.552 2.209 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc(CC)n2)c1=O 523306424 KQLBLZQRTPXYQI-UHFFFAOYSA-N 431.583 2.228 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 523736317 GRNVZVKBBPVNQK-UHFFFAOYSA-N 439.556 2.496 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3nccs3)cc21 526846014 VNFKWKZEKFJACR-WUTCKBNWSA-N 433.511 2.013 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 535896527 SWOGIEPMZDNAOA-KRWDZBQOSA-N 430.476 2.239 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 549287784 NHOIKXOCSMDSKK-OAQYLSRUSA-N 436.560 2.275 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCCc4nn(C)cc43)nnc12 569815760 CGPGCWDPTVDOCS-INIZCTEOSA-N 449.540 2.250 30 10 IEEE COCCOc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1OC 585721423 CZQMWVZJVXIWEP-AWEZNQCLSA-N 429.448 2.225 30 10 IEEE C=CCOc1ccc(N[C@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1-n1cnnn1 586323088 VLRVAHJSGHCWFF-CQSZACIVSA-N 434.456 2.266 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 609006575 NVSXOAJSAADDSQ-QGZVFWFLSA-N 447.513 2.070 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 609229869 WRWRSDRJDPZQOD-GJZGRUSLSA-N 431.489 2.425 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 670214177 WHSNQUVXRXWUPW-OAHLLOKOSA-N 435.550 2.056 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCCN1CCN(c2ncccn2)CC1 729377133 AKEVUGPVWNJYRV-UHFFFAOYSA-N 433.516 2.373 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2cc(F)ccc2F)C1=O 747453305 JTNVBJHCRVHIIZ-QGZVFWFLSA-N 446.479 2.374 30 10 IEEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 752665673 QNCANGSWSJSHPV-CLDFDOQUSA-N 447.536 2.085 30 10 IEEE COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1 758580411 ONYUHVQLRXZVLQ-AWEZNQCLSA-N 449.463 2.005 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCCOc2c(C#N)cnc3ccccc23)c1 763499221 CQSODEDPDGXMFC-UHFFFAOYSA-N 428.470 2.357 30 10 IEEE CC(C)CN(C(=O)CN(C)Cc1cc(C#N)cs1)c1c(O)nc(=O)n(CC(C)C)c1N 768179042 KZOIHNNRMGLWDV-UHFFFAOYSA-N 446.577 2.241 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)/C=C\c1cncc(C)c1 772563877 VRRHAIMDXGSAKJ-YVMONPNESA-N 432.436 2.326 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1C#N 774917015 IZNBKXVAFFCTNH-FQEVSTJZSA-N 436.512 2.145 30 10 IEEE C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)c1ccc(NS(C)(=O)=O)cc1 780177165 SMPGBAPMCDDPDA-XCLFUZPHSA-N 438.502 2.434 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 780256866 ZWSGNMZNDRFQNJ-WQTXXOFMSA-N 431.489 2.058 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)s1 788015347 UVZMIVNJVLHMGY-GOSISDBHSA-N 448.570 2.218 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N(C)C)cc2)cc1 788484887 OSWNFHCUKWWQDC-XUTLUUPISA-N 436.559 2.366 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCSC2)c1 790284410 DGPMQJQABDTNLV-HKUYNNGSSA-N 444.626 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)C1 791984013 UEZMIFYZZSMIMY-KRWDZBQOSA-N 430.505 2.491 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797426818 NVRXACLISVCMIM-KSZLIROESA-N 445.589 2.278 30 10 IEEE C[C@H](CC(=O)N1CCCN(c2ccccc2F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 803610992 XXWMUKTZIIGOOI-MRXNPFEDSA-N 444.532 2.382 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 812189488 AYRXAXXUHOKIFP-KRWDZBQOSA-N 431.541 2.496 30 10 IEEE C#CCN(c1nnc(CCCc2cccs2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812385192 SCQCEAZGPAXQPZ-ZWKOTPCHSA-N 448.614 2.178 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c1 813984645 VZATZBGVTZEIRC-CYBMUJFWSA-N 439.419 2.089 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)c(OC)c1 819480928 HFBJRQRBAQPFTE-QHCPKHFHSA-N 434.496 2.458 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CCc2c(C)nn(C)c2C)C1=O 914690183 MDHPPWDANMPUJQ-SFHVURJKSA-N 429.546 2.356 30 10 IEEE COc1cc(NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c(F)cc1C#N 1131493067 MPDSDTMWTNCGQX-QBUQCISBSA-N 436.443 2.448 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)o1 1138108197 KARQOLUQXUERHS-ZFWWWQNUSA-N 427.461 2.163 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)C2=O)cc1 1140112217 VPEOSDMOGCAXNV-WMZHIEFXSA-N 433.468 2.034 30 10 IEEE Cc1cc(C(=O)N(CCC#N)CCCN(C)C)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1142310869 HTMCRMPOOFYLLV-UHFFFAOYSA-N 445.589 2.108 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cc(Cl)ccc1Br)c1cc[nH]n1 1143122054 JEGOXMKJYZLVIU-UHFFFAOYSA-N 443.685 2.426 30 10 IEEE CO[C@@H](CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1154357530 LBHSIBLXVXXTJN-HNNXBMFYSA-N 435.468 2.369 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)c1C#N 1160493892 SBFRHNXBPLLDJD-CRAIPNDOSA-N 428.468 2.121 30 10 IEEE O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161797120 JCIBVXOIVUWLIQ-HXUWFJFHSA-N 435.480 2.124 30 10 IEEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)c2ccc(C#N)o2)cc1Br 1211883026 CLNBAAUBXLKHSD-GFCCVEGCSA-N 429.292 2.052 30 10 IEEE C#C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 1225849201 YOSOSZRHBGUJLY-ZWKOTPCHSA-N 435.366 2.365 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc([C@H]2CCOC2)cn1 1286271761 VHWLZGBZVRGKDG-IRXDYDNUSA-N 427.553 2.055 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286328852 QVSAEBAESJMXCX-QGZVFWFLSA-N 428.562 2.189 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1286393784 SAYAZBPUYHYNID-SFHVURJKSA-N 449.646 2.145 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1286433894 OOKUUCADVILULI-UHFFFAOYSA-N 432.528 2.496 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCc2nc(C)no2)CC1 1286484487 PCDONVBUDWFRGF-UHFFFAOYSA-N 435.532 2.245 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1286523702 CGCWLXCDSRMVGS-RUZDIDTESA-N 434.588 2.334 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1286706013 IYDYVZFFHBRILP-UHFFFAOYSA-N 446.552 2.011 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286784834 VKFIHMYENANPLX-DMPWYTOCSA-N 429.496 2.159 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)c1 1299934928 APKXXCDETXHHIU-UHFFFAOYSA-N 445.545 2.279 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N[C@@H](C)c1ccccc1 1300271016 GAYBDDPORGTMGM-OKZBNKHCSA-N 446.621 2.476 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300496862 VNPORTOLXDGNRJ-IAGOWNOFSA-N 448.614 2.448 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300499666 VYNMJFPECOXMDD-QZTJIDSGSA-N 446.573 2.191 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCO[C@H](C)C1 1300527103 BMFHEBIHVFNZCX-RTBURBONSA-N 444.539 2.470 30 10 IEEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1300629568 ZFMHCYRPQQQTSV-MRCUWXFGSA-N 440.454 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC=CCO2)CC1 1300731424 PLOYBLMRSBALNK-QFIPXVFZSA-N 449.555 2.476 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301259504 JTGNLULOKPRUOM-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301468741 OLIPSVUBYCSAHD-UHFFFAOYSA-N 428.562 2.437 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)CCN2CCOCC2)cc1 1301525166 HLPZGBMXEFUIRC-FQEVSTJZSA-N 427.549 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301578249 UNJFQVCPTCPJTM-MSOLQXFVSA-N 446.573 2.417 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)cs1 1304666387 OWJSXLWSDPYKPO-FQEVSTJZSA-N 431.541 2.478 30 10 IEEE C[C@@H]1SCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1305250790 CJXPYPZPJFYLRT-MHOSHAJKSA-N 446.577 2.376 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1314348322 GPWJVPZZHQQRPE-UZUQRXQVSA-N 441.532 2.274 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)CN1CCCC1 1314394322 YBWSTLVKKQETFJ-LJQANCHMSA-N 438.580 2.140 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)C[C@H]1O 1315109289 PHTCGRIRKAYDQY-CEXWTWQISA-N 441.557 2.463 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1316176521 SULSBVOGQMTHAS-XLIONFOSSA-N 432.569 2.391 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOCCCO)C[C@H]1c1ccccc1 1316540207 ZQFRNIBFZMHUED-HBMCJLEFSA-N 425.533 2.315 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 1354673051 BKDCWZURLZUGGR-UHFFFAOYSA-N 442.476 2.276 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1358924095 LPGUHVQCGJXEOI-UHFFFAOYSA-N 431.924 2.316 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1358946472 WEKMPNIELZUOJT-ZWKOTPCHSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1358963089 BLYWBPKFUYOALB-SFTDATJTSA-N 444.601 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCCCN1CCN(CC)CC1 1358993398 LRXLASXQGWQDAP-QFIPXVFZSA-N 426.609 2.400 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1359007208 ADXYWJKLEGDPHZ-UHFFFAOYSA-N 435.532 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1 1359018230 INPOSWYCMXXOAH-OAQYLSRUSA-N 433.940 2.063 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)s1 1359024398 MBQJWCMKUJFSLL-ZDUSSCGKSA-N 428.967 2.029 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(OC)CCCCC2)CC1 1359047758 RZWOTRQDEZMOBG-LJQANCHMSA-N 429.565 2.445 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359134746 FWRYYYXLVHWMQI-QHCPKHFHSA-N 425.533 2.329 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359227028 RHEARGBICYOEDD-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1359274302 IQPOLANRVXSPBP-UHFFFAOYSA-N 443.515 2.337 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359295410 AHYYOKNZVNGCOE-LBPRGKRZSA-N 437.331 2.221 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(C)c1C 1359305547 GKOMWOIPPIMLPN-IEBWSBKVSA-N 429.569 2.177 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCN(CC)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1359305710 LBYWRMCMWLWMAG-UHFFFAOYSA-N 436.560 2.109 30 10 IEEE CC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)cn1 1359404181 GHECKRLSJKYWLY-UHFFFAOYSA-N 436.520 2.046 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)s1 1440939098 IDMBMNKUUOBONG-UHFFFAOYSA-N 445.010 2.435 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCCO)cc1 1446029339 DDGYCJIJRNBLJW-INIZCTEOSA-N 425.913 2.312 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1447860396 DGUKHOHFYMLVDL-HZPDHXFCSA-N 425.526 2.045 30 10 IEEE Cn1c(=O)c2cc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)sc2n(C)c1=O 1458437434 BUVJPFWONVXNHI-GFCCVEGCSA-N 438.387 2.192 30 10 IEEE N#Cc1ccc(OC(=O)Cn2ncc(=O)c3ccccc32)c(I)c1 1459654286 TUGPJRAIRLCYJL-UHFFFAOYSA-N 431.189 2.478 30 10 IEEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1460359017 GMNONBWWFUNRFD-LJQANCHMSA-N 431.602 2.296 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)s1 1463912866 RLSVBPYPCLMTEA-UHFFFAOYSA-N 448.614 2.454 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 1465726294 OWNPFIHLUFXDJW-HUUCEWRRSA-N 449.529 2.063 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1473582379 VCYSPJXKPIVDEV-SFHVURJKSA-N 437.544 2.058 30 10 IEEE CN(Cc1cc(Cl)ccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503458211 JEAMOWGZXLBOQI-VXPUYCOJSA-N 441.923 2.442 30 10 IEEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504022906 QCLBJGZTMLDIIH-QGLUGKIASA-N 444.536 2.051 30 10 IEEE COCCOc1ncccc1Cn1c(CC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505015749 XEQROPMPEDGCHN-HXUWFJFHSA-N 439.564 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCOCC2)nc1 1507645628 ITFUTCHNCNTANK-UHFFFAOYSA-N 437.507 2.169 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCO[C@@H]1C 1507714827 XTGPXTIKNOMWDH-AUSIDOKSSA-N 428.533 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOCC2CCOCC2)CC1 1507731669 OCHQEFTYONPGHJ-NRFANRHFSA-N 431.581 2.108 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](COC)C1 1507749756 XFXURDSNPONWLF-QGZVFWFLSA-N 438.561 2.150 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1507846373 JUXXBYYDSNHDGG-QHCPKHFHSA-N 428.533 2.466 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC2CCOCC2)CC1 1507856986 GXAXSZHSTWUDBA-QGZVFWFLSA-N 427.977 2.303 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1508057492 CLOFYUVRFSSDKF-HIFRSBDPSA-N 429.912 2.319 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1508071152 BORFYZJWYFZCRH-GOSISDBHSA-N 440.548 2.141 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1508113195 VQPWZIWXDHFLAE-JOCHJYFZSA-N 436.560 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1508136853 WGWKQCHHJCOUAE-GJZGRUSLSA-N 435.506 2.068 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1509590967 ARTNYMDFNUVVGO-LJQANCHMSA-N 426.521 2.120 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCN2CCCO)n1 1511692548 CCZWKCHAYYOIFL-OAQYLSRUSA-N 440.596 2.117 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1518750742 RRQIOAOYVXAGKX-DLBZAZTESA-N 427.440 2.071 30 10 IEEE C=CCN(C(=O)[C@H]1COCCN1CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525330747 KTCJSGSTSSXRHI-GOSISDBHSA-N 435.571 2.453 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539025223 GNYZDAVFBMNCKV-IRXDYDNUSA-N 430.553 2.258 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539211772 OPEYVRKHRYFJKP-MOPGFXCFSA-N 426.542 2.225 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1539539203 RVQGTIKNRQISST-MGPUTAFESA-N 435.525 2.099 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1539619026 CQOGXHUTRHNCLC-RBUKOAKNSA-N 429.546 2.279 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 1540330009 MBCCXZXJFCUAST-LJQANCHMSA-N 445.497 2.257 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CC(c3ccccn3)=NO2)nn(-c2ccc(F)cc2)c1N 1540832026 DBXXXRHEFYDEBD-HXUWFJFHSA-N 433.447 2.102 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H]21 1540880010 UQWPDSNJOXUGSL-XYJFISCASA-N 431.562 2.490 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1542837477 SWLUKHXZARBDJK-AUUYWEPGSA-N 427.501 2.298 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCn3ncnc32)cc1 1544855125 LPXSHRFVRSYCCE-BMCXAMSBSA-N 430.534 2.387 30 10 IEEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cs1 1546382358 NTQUSYKAFFWHCA-FZKQIMNGSA-N 437.595 2.086 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](OC)c2ccc(F)cc2)CCOC1 1547918676 GTTDNEHKDRJWHH-NNMXDRDESA-N 445.495 2.186 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1548125814 HIIQOOWWVHPRNE-UWJYYQICSA-N 432.500 2.232 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCOC1 1554121833 CWKIOGCGFMIQTE-KRWDZBQOSA-N 436.520 2.349 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCCc2ccccc2)C1 1555986198 FPMWPCJJRSGGPM-QHCPKHFHSA-N 433.491 2.065 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)c1cccc(C#N)c1Br 1556829416 YXRZKHXZXJJJRP-UHFFFAOYSA-N 438.303 2.119 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1557242506 BKABFVQDUCRYBZ-ZWKOTPCHSA-N 430.505 2.052 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CC(F)(F)CO)CC2)n(Cc2ccccc2)c1C 1559956150 OAPAIEHHTSZZSB-UHFFFAOYSA-N 445.514 2.209 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1 1566991967 FYQFJYVPICMZEK-CQSZACIVSA-N 435.575 2.157 30 10 IEEE CCOc1ccc(N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)nn1 1585401352 KZGVNRNGNLYVOX-INIZCTEOSA-N 432.525 2.111 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588045583 MZJDFPHSDNZHAX-QGZVFWFLSA-N 446.573 2.132 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1588050395 SBVGDZZYYWNYAQ-LJQANCHMSA-N 428.558 2.058 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)cc1 1588111298 QWBMMSLSZHQHTG-IPMKNSEASA-N 445.338 2.429 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588856818 BXZRWEXREAKTQR-NRFANRHFSA-N 430.647 2.123 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1589036229 ADTYSMDISNKERG-NQIIRXRSSA-N 436.585 2.340 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2F)CC1 1595797495 HTSNPHBGVUVKCN-UHFFFAOYSA-N 434.541 2.007 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1595895327 JLMISQZXNYADPF-UHFFFAOYSA-N 441.605 2.343 30 10 IEEE N#C[C@@H]1CN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CCN1C1CC1 1596809463 CMBZGDIZNUYLID-MRXNPFEDSA-N 440.363 2.202 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1607592906 FYLNRCDATQGHQU-SIKLNZKXSA-N 427.528 2.063 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCn2cncn2)CCOC1 1610346499 CMQCTWTUHWXXQD-JOCHJYFZSA-N 436.520 2.118 30 10 IEEE CN(C)CCOC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1616229809 CDOOVZMQODCQOR-OTQYULQBSA-N 434.581 2.342 30 10 IEEE CSC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620181712 YVVMHUVBDHTEOI-UHFFFAOYSA-N 429.550 2.093 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(F)F)C1 1620384909 HYURIMWFKQZCKX-SHUBJWRZSA-N 443.458 2.348 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)nn1 1622441601 SDBGWSUGRGFLHK-AWEZNQCLSA-N 426.926 2.401 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)NCc3nnc4c(=O)[nH]ccn34)c2)cc1 1622897470 FEBLDIFMSUVZRN-UHFFFAOYSA-N 429.440 2.384 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCCCCC1 1628386323 TYOYAKOTHDRAOV-KDDVOAFDSA-N 434.537 2.493 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CC#N)CC1 1631231606 QDVBDLGBPQIRRM-IBGZPJMESA-N 439.516 2.188 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 1631853930 ULNSIMBKXOAYGK-HNNXBMFYSA-N 426.267 2.248 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CC(N)=O)Cc3ccccc3)C2)C1 1633326015 URAKJCXLDXWVNB-FRIYVGAWSA-N 426.517 2.287 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2ccc(F)cc2F)s1 1634441482 SFTQEVAWPSWGND-SFHVURJKSA-N 430.498 2.057 30 10 IEEE COC(=O)CCC1(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1635739578 TYWRDWNFSXOCJI-HNNXBMFYSA-N 435.546 2.276 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1636306356 SZMJQONJKVWODQ-UHFFFAOYSA-N 440.543 2.407 30 10 IEEE CN(CCN(C)C(=O)C(F)(F)c1ccccc1C#N)CCN1C(=O)c2ccccc2C1=O 1636967103 VAITYLHIYVZBEJ-UHFFFAOYSA-N 440.450 2.336 30 10 IEEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1642903261 GDPFDLDXIZMZOY-HSZRJFAPSA-N 441.507 2.237 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)CC2=O)cc1 1643437905 HQXILFXILNMJDY-MBOZVWFJSA-N 446.573 2.221 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2cc3c(s2)CCCC3)cc1 1648106666 MEWMPTJMQFOGOS-UHFFFAOYSA-N 431.539 2.432 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c(Cl)c1 1664446511 AQVVIQVPNMPBED-UHFFFAOYSA-N 446.960 2.387 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1 1666222735 SKYYQRZOCJKNFM-YZGWKJHDSA-N 428.533 2.266 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 1666768397 DSQLOKXDWFKGNK-UHFFFAOYSA-N 448.589 2.479 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)nn1 1673802643 IROSZQSCJCUMPC-OALUTQOASA-N 448.568 2.458 30 10 IEEE CC(C)(C)OC(=O)C1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 1682021834 OBHIEQFQXMIWEY-GOSISDBHSA-N 426.517 2.470 30 10 IEEE COc1ccc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1C#N 1684862290 UYLCWRSHYOFNRD-PBHICJAKSA-N 431.436 2.218 30 10 IEEE CN(CC(F)(F)C(F)(F)F)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1686261637 LNBOJYXZADTGDD-UHFFFAOYSA-N 425.326 2.082 30 10 IEEE C#CCN(c1nnc(CC)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689992100 HJHPXNWZLUVKQI-KRWDZBQOSA-N 433.553 2.133 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1690003221 HNLVVYYJCFSKKN-ZFGGDYGUSA-N 427.593 2.371 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(OC)CCC1 1690006572 TXVARHAESGYBMQ-UHFFFAOYSA-N 426.542 2.381 30 10 IEEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690281238 CBXWULFBWYKWFY-UHFFFAOYSA-N 430.940 2.348 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCc1n[nH]c(C)n1 1690558666 XMMFCJTYBYNIGG-UHFFFAOYSA-N 445.531 2.248 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1692171631 AWRWZFBICNIEPL-OAQYLSRUSA-N 430.578 2.497 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1692851637 COVFHZKZVQFCLG-FDDCHVKYSA-N 438.532 2.390 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCOC1 1696179737 ZSHBZFCBTUYNJA-QZTJIDSGSA-N 427.505 2.411 30 10 IEEE COC[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697857132 NNILQMUKNKGQAA-YGCDDZCOSA-N 428.537 2.325 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1698404157 UXEJTYDPRRZQIF-MEUCICPISA-N 443.577 2.388 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1705477498 OUNJAPWMINMNPJ-HOTGVXAUSA-N 437.541 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCC1 1705489740 VKNZRVBYRSLJFP-MSOLQXFVSA-N 443.621 2.428 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCC2=O)CC1 1705538711 XZKSGXSZQBMLEQ-UHFFFAOYSA-N 440.573 2.274 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCc1c(OC)cc(OC)cc1OC 1705555830 BJTOQEONEHLMEY-UHFFFAOYSA-N 438.532 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Br)ccc1OC 1705580059 CHKDOQZAWSTMCF-MRXNPFEDSA-N 442.317 2.121 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN1CCOCC1(C)C 1705587022 FJPZZKVQBYCZCH-UHFFFAOYSA-N 425.508 2.180 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCNC(=O)c1cccc(OC)c1 1705594605 LLNQUXAECBCRPR-UHFFFAOYSA-N 430.512 2.185 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CN(C)C1=O 1705620971 MLVXJOGUPBNGMS-DEOSSOPVSA-N 449.534 2.397 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1705664483 QEXGXIYUVYQOCT-UGKGYDQZSA-N 444.605 2.280 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](F)COC 1705672178 NLVUWZBSJLRBNW-FOIQADDNSA-N 434.541 2.215 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccc(Br)cc2C1 1705894899 NSTIZTPOPNTAGW-UHFFFAOYSA-N 447.337 2.001 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705898925 CGYVOFYMJRRZRX-FQEVSTJZSA-N 430.516 2.465 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[S@](=O)C(C)(C)C)C1 1705916161 IOTUIEYRFUQBOS-PMDYLXHRSA-N 440.610 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1CC 1705930603 QVDKYOSHPZBYGE-HOTGVXAUSA-N 432.550 2.151 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CC[C@@H](C(F)F)N1CCOCC1 1706076271 ADNYHCWHOUNQMB-AEFFLSMTSA-N 433.507 2.216 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1706601239 GWBIBPRGOVIIRY-HDICACEKSA-N 431.585 2.046 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC[C@@](C)(CC)O1 1709136869 ALBNTGZZWQPPRI-VGOFRKELSA-N 426.569 2.428 30 10 IEEE CCN1CCN(CCCn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@H](C)CC#N)CC1 1710300650 GFUBPWINSYAQET-HXUWFJFHSA-N 449.607 2.283 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)CC1 1712886287 OJYABYRNEQGFHF-LJQANCHMSA-N 430.553 2.230 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722371285 IODKDCDBWLMMKQ-QYZOEREBSA-N 428.558 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1CC 1722395043 OGXCKLQSECIONM-UHFFFAOYSA-N 427.310 2.158 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1722588720 YMONHUYTGROOGQ-QGZVFWFLSA-N 437.610 2.135 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1722595326 VZVBQSAFZLHMGS-MOPGFXCFSA-N 445.589 2.400 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1722637146 FMWHZVALZOUDTC-WAIKUNEKSA-N 438.532 2.398 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722701371 OEYUQDLJLGGAHY-NHCUHLMSSA-N 439.560 2.140 30 10 IEEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1722706009 MRKMQOPCCICHHK-UHFFFAOYSA-N 438.576 2.415 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722726104 ZRJPUOMSZAVTKI-KRWDZBQOSA-N 443.577 2.132 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1723768816 HEHYNDXJWKZYMO-AWEZNQCLSA-N 443.939 2.126 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1729161687 HLZWSNUCVFNYDX-HXUWFJFHSA-N 437.504 2.077 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740622511 YZYUWNAPDBOPKB-QRVBRYPASA-N 445.589 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1cnnn1C 1740649156 YEXCAVSCZRIMTK-UHFFFAOYSA-N 442.296 2.486 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O 1740669834 IPLNYINJOACMCB-QHCPKHFHSA-N 444.580 2.330 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1740695610 YMLMEWFJJZCYLC-QFIPXVFZSA-N 430.560 2.102 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740700145 HGXJLFAXRASFBR-MBSDFSHPSA-N 427.524 2.303 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1740725317 KABDYRGMYXFDSQ-DHIUTWEWSA-N 438.532 2.324 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCSC(F)(F)F 1740726224 ZILRTFJNMBZZFX-SMDDNHRTSA-N 425.502 2.133 30 10 IEEE C=C(Br)Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740749641 AYQOWMWTEBHSRW-QAPCUYQASA-N 445.358 2.079 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1740790837 YBFNZKTWGAZNDJ-QGZVFWFLSA-N 441.532 2.366 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1740899990 KVNSTLWJVIVLHY-DLBZAZTESA-N 437.541 2.014 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1)C1CC1 1740906514 JTGFGSBRMRCJRA-OAQYLSRUSA-N 438.576 2.472 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1740957162 CUIMNFUFFVSTMN-SFHVURJKSA-N 428.443 2.432 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1F 1741131618 UYYNQCWZGKSRQL-CYBMUJFWSA-N 427.440 2.215 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1741133233 ONHKFIKMWAJPKY-LPHOPBHVSA-N 435.507 2.343 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1 1741806861 BSMOGWKPKNJGKC-MRXNPFEDSA-N 437.548 2.356 30 10 IEEE CCC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1745276121 KKHMDDPCRYHMOJ-LJQANCHMSA-N 435.536 2.087 30 10 IEEE CCCNC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1745801228 PAEDJUKTFAVGBW-ZSDSOXJFSA-N 449.531 2.017 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1747550386 SGNIDVGQORIYEP-ZWKOTPCHSA-N 437.460 2.478 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1747999791 RUKCOQSTVAAITM-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748806150 ZTCDOWAWNCJJOM-WMZOPIPTSA-N 438.594 2.065 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1OC 1748806803 CUHDIDYJCVLNMG-QVKFZJNVSA-N 431.468 2.298 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748810195 SXWHHGOILSOJIY-PMACEKPBSA-N 437.525 2.136 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748811761 KSJYVZQEOYLYIM-LJQANCHMSA-N 443.573 2.174 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748819904 UJNRREUEXMYUJQ-KRWDZBQOSA-N 436.603 2.230 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1748857840 GFBIPEJWOSPVIK-MOPGFXCFSA-N 443.548 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CC1 1748891956 WOTSKGURWGPKAF-UHFFFAOYSA-N 442.541 2.002 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1749026082 CRTQLHMGNLNDHS-INIZCTEOSA-N 430.530 2.328 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)CC[C@H]2C1 1749106665 HTJOXMDPCXTTRA-AWEZNQCLSA-N 437.367 2.353 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)CC1 1749329939 WKRWOVKXDBIDBU-FAEJEUNOSA-N 425.599 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(COC)CC1 1749730029 XNEQXGFGOYLIPG-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1750034853 VPZPVYUVFSKELU-CXAGYDPISA-N 436.438 2.499 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1750089195 CPNUANJROHVERZ-HXUWFJFHSA-N 436.520 2.303 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760119477 ACKVODSLMXUSLC-UFYCRDLUSA-N 435.576 2.474 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760134051 YGCGLOIQQCITCB-QZTJIDSGSA-N 442.516 2.126 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOC2=O)cc1 1760246256 NJUQYLXFDOCQFI-UHFFFAOYSA-N 432.484 2.431 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1760516809 VYXSQFUVXJUJIN-OAHLLOKOSA-N 446.527 2.210 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760518557 XBFUJJWBFAETSP-MRXNPFEDSA-N 430.940 2.427 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760523674 FJCDLVJFSJUTAB-HNNXBMFYSA-N 446.577 2.083 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCCCC2)C1 1760534567 BJCUIRORXASRHB-IRXDYDNUSA-N 441.598 2.019 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1761362784 ICLHGDGRVUPSLA-HOTGVXAUSA-N 434.541 2.361 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1763761932 AXAPQNDIACHZGA-DLBZAZTESA-N 437.548 2.036 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1 1768292421 AMUFRBKRWDTIFN-SFHVURJKSA-N 448.618 2.334 30 10 IEEE COc1ccc(N(C(=O)[C@H]2CCC(=O)N2c2ccccn2)C(=S)N=CN(C)C)cc1 1851214510 AKLGWCLBEFRUGA-QGZVFWFLSA-N 425.514 2.494 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1F 1852593086 YQNPAMQMSIDFST-CQSZACIVSA-N 443.504 2.315 30 10 IEEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCCN(C4CCSCC4)CC3)C2=O)cc1 1856494923 YRYIFZXFYPEZKR-OAQYLSRUSA-N 426.586 2.132 30 10 IEEE N#CC1CCN([C@@H]2CCN(C(=O)C3CN(c4nc5ccc(F)cc5s4)C3)C2=O)CC1 1857305563 HLJGNAZSUWGPMJ-QGZVFWFLSA-N 427.505 2.235 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1 1858963945 JHSOYRUHYWQOQQ-UHFFFAOYSA-N 426.372 2.082 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccc2C(=O)O)cc1F 1862640473 PFCTZPJKRRPNJZ-BBATYDOGSA-N 429.400 2.492 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862738312 YRGOYKCNTDNCDV-VOJFVSQTSA-N 428.397 2.268 30 10 IEEE C[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc(C#N)c1 1866621942 GATHMBKUIVTRAG-OAHLLOKOSA-N 426.498 2.245 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 1870137284 HCSDTZHNCXRWIG-UHFFFAOYSA-N 439.428 2.434 30 10 IEEE COc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCC(N)=O)c1OC 1874375347 RINHAXKIXICDEY-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE Cc1nc(I)c(I)n1CCC[C@](C)(N)C#N 1936400330 VCBKEFPSJFWWEA-JTQLQIEISA-N 444.058 2.422 30 10 IEEE C=CCC1(NC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993311855 UFFSCYHOZFLEPO-UHFFFAOYSA-N 425.526 2.086 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 2006266815 PJQDSMIWLDVJMM-OAHLLOKOSA-N 427.361 2.231 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237398704 NUQXBLFARXQIBN-OXJNMPFZSA-N 437.334 2.482 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 2247536778 YDXDZIFPYHTTNZ-TXCIGDHXSA-N 431.455 2.351 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247920040 UKPRLZSRAKIIMJ-CQSZACIVSA-N 440.371 2.005 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]2COC[C@H]12 2255362846 IRWVSFZNRPRWFO-OAGGEKHMSA-N 431.342 2.109 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255534006 AZKWWBVVUKYHPD-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)cc2C1 2255618411 ZGPAYKDGOODVLC-GJZGRUSLSA-N 432.330 2.477 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)n1 2255647590 AORFLVTZFRCUEY-UHFFFAOYSA-N 431.342 2.476 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255659702 WBNWEMPVDVQTCD-GDBMZVCRSA-N 431.342 2.332 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1CN(C(=O)OC(C)(C)C)C1 2255699268 WAQSRKLIJZQRAR-AWEZNQCLSA-N 433.358 2.310 30 10 IEEE Cc1cnc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255867994 JBPGCHMHWKPXQE-UHFFFAOYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256676786 QQJYCRHUSPEUJZ-KRWDZBQOSA-N 435.374 2.279 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)co2)OC1(C)C 2267008827 JQAWRCVRELUABG-UBHSHLNASA-N 442.243 2.250 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267009788 QJTAADAERKCODD-HOTGVXAUSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267139881 LWUFAUPYMAERJW-CQSZACIVSA-N 446.357 2.371 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2267141057 VEPDGWBKHMBMDX-CABCVRRESA-N 448.373 2.426 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267141992 OBNHHJVBPSUVDN-MHECFPHRSA-N 436.365 2.351 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2267182663 IEYFVBCZNWPRPR-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cc1c(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267495390 ZWHADVFBFKCQHZ-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2267546075 RCUOVVPXUZQCQN-HXUWFJFHSA-N 436.365 2.416 30 10 IEEE Cc1ccc([C@@H]2C(=C(O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1 2296932780 MENAMCGIAKXJGD-QGZVFWFLSA-N 431.514 2.415 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H](O)C1 2322292374 BISYSEDLAPELIN-CVEARBPZSA-N 437.321 2.302 30 10 IEEE CN(CCOCCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)C(=O)OC(C)(C)C 2322294663 RHEPTIMCJLNPHP-UHFFFAOYSA-N 439.337 2.237 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306494 KLIKUVMKPYQAIM-JKSUJKDBSA-N 437.321 2.106 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203051 RXLGASFMMJHIJC-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CCCCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39770442 VYRVAFBQQMFSND-LFIBNONCSA-N 432.571 2.496 30 10 IEEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1cccc(F)c1 59884651 OBJLPJOLPZJWCZ-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE CCOC(=O)c1csc2ncn(C/C(O)=N/S(=O)(=O)c3ccc(C)cc3)c(=O)c12 71526146 YRFGUXSZRNSDBW-UHFFFAOYSA-N 435.483 2.289 30 10 IEEE C[C@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)n1cnc(C#N)n1 409624539 UIAXFMHBXDSZFW-GFCCVEGCSA-N 431.294 2.351 30 10 IEEE COc1cc(CN2CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)cc(OC)c1 475467876 LUQIEJYUHLBIGM-UHFFFAOYSA-N 428.514 2.356 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCc3c(O)cccc32)CC1 476021211 KPLQVCVFCKOOCQ-LJQANCHMSA-N 425.510 2.217 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 492652977 DSWTXBHCWWNKHV-ZRDDSIGQSA-N 431.625 2.324 30 10 IEEE N#C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)C1CC1 505937260 FJZFZEHMWLVRGZ-NWDGAFQWSA-N 432.365 2.330 30 10 IEEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N(C)Cc1cnccn1 508506722 GCYYGSNQJATVMZ-UHFFFAOYSA-N 439.545 2.342 30 10 IEEE CCc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnc2c1c(=O)n(C)c(=O)n2C 513776059 ZGWCRLDRMWDRCA-AWEZNQCLSA-N 446.294 2.496 30 10 IEEE C[C@H]1CN(Cc2cccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)c2)CCO1 516274095 GTIJIHLWPUGZAB-IBGZPJMESA-N 434.544 2.206 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 521008408 KDJLHQNMMZKCKB-LJQANCHMSA-N 428.514 2.420 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 533480347 SVNKMTPSEFTZLL-OAHLLOKOSA-N 438.440 2.097 30 10 IEEE N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 553547125 HXTRMNQOEMPZBY-WBVHZDCISA-N 429.473 2.036 30 10 IEEE C[C@@H](Cn1ncc2ccccc21)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 573466563 WHTSQIUVOLZKHG-KRWDZBQOSA-N 437.525 2.077 30 10 IEEE C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 585473428 XHQXLXUMVLQSQS-KRWDZBQOSA-N 426.546 2.238 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1-c1ccccc1C 603991165 ZUABARIOAGECAK-UHFFFAOYSA-N 445.544 2.411 30 10 IEEE COc1ccc(/C=C\C(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1OC 606444123 NEELBILQZMAYCY-VTUFNYDUSA-N 436.508 2.398 30 10 IEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 611604219 NNKMGOGHOGUNDP-GOSISDBHSA-N 437.518 2.433 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 679753331 NYAZUGMOYAYWFN-UHFFFAOYSA-N 432.530 2.490 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn3ccccc23)c1=O 729668615 BDAAJYNJSJDLRQ-UHFFFAOYSA-N 438.578 2.183 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H]2CCCC[C@@H]21 732154910 ZKGDGCZFIXQNOK-WKJNRGSKSA-N 432.521 2.197 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)o3)c2=O)cc1 743727202 DWBIRDZQDBMXGH-UHFFFAOYSA-N 431.473 2.245 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 748881518 WAWWKALABKAQMO-CABCVRRESA-N 442.493 2.462 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 750842435 QIHYVXILNDWHSA-VZUCSPMQSA-N 432.436 2.408 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CCN1C1CC1 751817226 MYVIQLBAOBOQDU-JTQLQIEISA-N 429.677 2.379 30 10 IEEE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 754041754 AGZIEFQDZFQODA-JQIJEIRASA-N 440.481 2.403 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)cc1 755484486 DHVRWBVQAKOXBB-SFHVURJKSA-N 442.537 2.252 30 10 IEEE COC1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCN(C(=O)OC(C)(C)C)CC1 760793758 PAXMNKXFEKDLDF-UHFFFAOYSA-N 429.521 2.018 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCC2CCS(=O)(=O)CC2)C1=O 768423289 ZGPOMWPWSIGOLQ-INIZCTEOSA-N 441.550 2.108 30 10 IEEE COc1ccc(S(=O)(=O)Oc2ccc(C#N)c(F)c2)c(NS(=O)(=O)C(F)F)c1 769649458 XBQYXUBIIIRQKV-UHFFFAOYSA-N 436.389 2.438 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 771643862 PBYVIROZJFDVIF-VBKZILBWSA-N 431.489 2.089 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(C#N)cc1F 781114205 MKZLYVSKVZSXBU-UHFFFAOYSA-N 447.448 2.463 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)n1 788674847 IOHCHTQUWXIDEV-UHFFFAOYSA-N 439.516 2.122 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 793333309 UFMCPEZVIITIAK-HXUWFJFHSA-N 445.472 2.491 30 10 IEEE C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 795329424 OWXONCNNTQCHKT-HKUYNNGSSA-N 443.569 2.497 30 10 IEEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 798361424 COFPHTRIOHSQKH-RBUKOAKNSA-N 425.558 2.215 30 10 IEEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 798361463 DTCOJVBPJQVHQY-IEBWSBKVSA-N 430.574 2.352 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(OC)c(C#N)c3)C2=O)c(OC)c1 805223899 ODDPEWIUSYBALL-LJQANCHMSA-N 438.484 2.184 30 10 IEEE COCC[C@@H](COC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 810168477 CYZYFVVDRMNQFL-VSGPLIKPSA-N 440.566 2.453 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)C2)nc1 814138643 YQAPYSLMXKEFKY-XXBNENTESA-N 436.468 2.018 30 10 IEEE C=CCOc1ccc(CNc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 863993682 RVQZKMIFIBRHPB-SFHVURJKSA-N 436.555 2.329 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1-c1ccccc1C 917772099 RCEODUZZIURODG-UHFFFAOYSA-N 439.924 2.119 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccccn3)n2)c1OC 1084092018 JYODNVDXUHTINU-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1122502085 CVWQMALAQTXPPZ-ZWKOTPCHSA-N 442.516 2.412 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 1125700408 DHSOYWWZGDUBOD-JKSUJKDBSA-N 431.418 2.070 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1129973890 ASCAPGNVGBBXDP-BRXAQIOASA-N 449.429 2.499 30 10 IEEE COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)COc1ccc(C#N)c(Br)c1 1132353465 XQWPMYLWJYZPQB-BLLLJJGKSA-N 425.279 2.174 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1136298794 HEPUSTYTIJAADO-XCVCLJGOSA-N 427.451 2.402 30 10 IEEE C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(NC(=O)c2ccccc2)c1 1141695702 CYIQHYMPLBDOHT-OAHLLOKOSA-N 431.452 2.340 30 10 IEEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 1162083712 DCYRPKDRFFQSSP-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(c2ncc(C#N)cc2Br)CC1 1162891584 HZOKVKRZXKVUNA-UHFFFAOYSA-N 430.306 2.485 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)CCO2)cc1 1179406866 ZDGDBXZDEFVOBT-OAQYLSRUSA-N 441.509 2.262 30 10 IEEE CC#CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1198128912 YACMBFQINHNXEE-UHFFFAOYSA-N 434.562 2.185 30 10 IEEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1198420913 BPCKFFQBLNZSGA-OXQOHEQNSA-N 449.393 2.225 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]([C@@H]3CCCO3)C3(CO)CCC3)C2=O)cc1 1234022964 CRADNVMKXXXHHK-UFYCRDLUSA-N 426.517 2.063 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)OC 1286458376 RWVZUTOEVGNQGU-QGZVFWFLSA-N 434.537 2.384 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)OC)CC1 1286485634 RZCPJDZDKVZUAS-HDICACEKSA-N 446.596 2.229 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)c2ccccc2)CC1 1286489748 AQGKHCONBLHEKA-NQIIRXRSSA-N 448.571 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)CC)CC1 1286494366 MLDSMVJONVDRIO-XMMPIXPASA-N 439.560 2.026 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286547406 OOIUYMOJMVISJS-ZFXLNCEJSA-N 447.580 2.170 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C(C)(C)C 1286767260 LZJRDHBHIKLQPH-UHFFFAOYSA-N 429.521 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC=C)C1CC1 1286780960 SNBWLMLHPMIBTO-UHFFFAOYSA-N 443.577 2.004 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSCC2)cc1 1286796333 LCNQLUGXRVORDP-KRWDZBQOSA-N 434.587 2.347 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1286798445 HRVOJAHZTFMZKK-FQEVSTJZSA-N 449.559 2.455 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286832010 NYXPEQBNXZSPAF-MAUKXSAKSA-N 429.546 2.377 30 10 IEEE C=CCSCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1286835684 XHEHXHWYHDQOLA-QFIPXVFZSA-N 449.621 2.298 30 10 IEEE CC(C)N(C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1287918589 AYYVPZPKSVQSIC-UHFFFAOYSA-N 445.575 2.197 30 10 IEEE C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1289682644 CQMLNLROFYCUGR-AWEZNQCLSA-N 429.502 2.100 30 10 IEEE C#CCN(CC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1295828875 MVPPUJPNBCQIJN-IBGZPJMESA-N 435.952 2.388 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1296059450 FVMWKXUNJZLNHP-FUHWJXTLSA-N 430.578 2.429 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)C1CCC1 1298283984 WJWCDJTUBOSHEE-LJQANCHMSA-N 435.532 2.044 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C#N)CC1 1299542177 KONGLIFYKXKSSW-MRXNPFEDSA-N 448.487 2.481 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ncn(-c2ccccc2)n1 1300553713 QCAGDENJZKJQND-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C(CC)CC)N1CCOCC1 1300574538 CFHVVIVCIUDYGA-JOCHJYFZSA-N 437.592 2.279 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CCCO1 1300578300 AUKKGIUPDXNORV-DEOSSOPVSA-N 430.512 2.224 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300853827 WNMZYSGHILBQML-OAHLLOKOSA-N 440.367 2.180 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@@](=O)CC)CC1 1301079616 IOOJMTJAAIWEKO-PMERELPUSA-N 426.546 2.117 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301617395 DWTOVTXCLJXJCO-YLJYHZDGSA-N 432.638 2.139 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCC2)CC1 1303319458 RTSXWEBAHAGYQH-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE C#CCN(C(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)C 1303928091 DPYHPCPDISPQKX-KRWDZBQOSA-N 428.558 2.415 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1 1310130380 BDWSDSXTWYIUGJ-HNNXBMFYSA-N 440.522 2.166 30 10 IEEE CCOC(=O)c1c(NC(=O)NCCN(C)C(=O)OC(C)(C)C)c(C#N)cn1CCOC 1310522848 CNFCXPSXOKPAJI-UHFFFAOYSA-N 437.497 2.171 30 10 IEEE C[C@H]1CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CCN1C(=O)c1cscn1 1312479424 FXUUGKDONUPUAN-HNNXBMFYSA-N 449.540 2.471 30 10 IEEE CCN(CC)C(=O)CCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1313643539 RZGGPEJAZXDMHX-KRWDZBQOSA-N 431.566 2.011 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](CC)N1CCCC1 1314393975 TVKNLVWGQPZESM-FQEVSTJZSA-N 438.580 2.282 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315813947 FMMFIAQOXLQQLY-FQEVSTJZSA-N 446.490 2.395 30 10 IEEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2ccccc2)C=C1 1321531681 WVQVHKOAMPLZND-KRWDZBQOSA-O 434.563 2.137 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCNC(=O)C(C)C)c1 1358901435 KLOCPAVEOSBQAJ-UHFFFAOYSA-N 445.527 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCO[C@H]1C 1358998266 XOJORWXIDGCYBP-YADARESESA-N 438.528 2.259 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2([S@](C)=O)CC2)CC1 1359038109 KTGKTMLMUFFCNW-PMERELPUSA-N 425.602 2.120 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)N2CCCCC2)CC1 1359047958 ZNJCAIGDSKXVHJ-UHFFFAOYSA-N 430.597 2.045 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1359058141 UAOOKOQZUXVETI-HXUWFJFHSA-N 441.557 2.216 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1359095068 JQLJQFPXTCQTTC-UWJYYQICSA-N 443.523 2.360 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)F 1359470601 BCMHGAJFZQBGQC-ZDUSSCGKSA-N 441.508 2.463 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1360819401 VCXFXAAKORULJY-GOSISDBHSA-N 429.546 2.113 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)NC[C@@H]1C(C)(C)C 1439652570 CKTONEYGVXFLBA-OAHLLOKOSA-N 438.322 2.471 30 10 IEEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H]1c1cnn(C)c1 1441329436 WXAGAIZHHAASFL-GXRSIYKFSA-N 429.480 2.204 30 10 IEEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1456207217 GQNWOOUTZZNDHP-IAGYGMIVSA-N 439.578 2.056 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccc(OC(F)(F)F)cc3C(F)(F)F)C2)c(=O)nc1O 1457198231 HWOKJEDGFDOFNI-UHFFFAOYSA-N 448.279 2.435 30 10 IEEE C#CC[C@H](CCOC)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1468197054 XGZVAIXVONRBNA-LJQANCHMSA-N 440.523 2.170 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1492492657 FRXLICPAHIPYPU-YOEHRIQHSA-N 434.566 2.180 30 10 IEEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1504034119 IULVZAHXTHPIKT-SFHVURJKSA-N 446.502 2.398 30 10 IEEE COC[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504702539 IGVHVWGCZAUVPQ-UNEBPCJRSA-N 428.537 2.010 30 10 IEEE COCCN(CCC#N)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCN(C)C1 1504885314 XPXSWPHOUURBGQ-QHCPKHFHSA-N 438.576 2.181 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1507567814 TWTBYBDFBSUQNM-UHFFFAOYSA-N 426.540 2.022 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CCOC 1507588442 LZKBIRYQSUVWFQ-SFHVURJKSA-N 431.537 2.086 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507633738 GQKPRAGWMVWTAD-RLLQIKCJSA-N 427.574 2.327 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507712653 LJFAQOYGYLOVFH-UHFFFAOYSA-N 442.564 2.276 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCC(=O)N(CC)CC)CC1 1507727452 ITXONHQGCDLIQO-UHFFFAOYSA-N 443.621 2.038 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507754166 LWXDZNXXWGCGSF-AEFFLSMTSA-N 445.593 2.461 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1507877699 NHNPBJMGUVIACI-UHFFFAOYSA-N 447.561 2.154 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)S(=O)(=O)CC)CC1 1507908655 ABCZVRAUCPPOCI-UHFFFAOYSA-N 449.625 2.214 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC 1508040539 ZBNKHQGXUKZGSH-DLBZAZTESA-N 439.557 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1508080938 GKIYLRWWYCNFOF-NRFANRHFSA-N 448.527 2.446 30 10 IEEE CC(C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C#N)CC1 1508742800 KUXUNRUQYDVMKW-UHFFFAOYSA-N 438.923 2.358 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1509951928 HMUVXKSFYSCUCB-INIZCTEOSA-N 435.488 2.197 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1513190028 KIMQLWOWMQSKQA-KRWDZBQOSA-N 436.564 2.129 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1516606800 BUWARMIPWXNQGZ-IRXDYDNUSA-N 446.552 2.333 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)cc1 1530557697 XCJWYWWSIZINFW-OALUTQOASA-N 444.532 2.499 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)Cc3ccc(C#N)nc3)c2)nn1 1533994932 IDOMZRSEKRRKRI-UHFFFAOYSA-N 447.499 2.418 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCCCN(Cc2ccccc2)C1 1534922272 VBRVNGVJEGLGAI-IBGZPJMESA-N 440.569 2.286 30 10 IEEE Cc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)ncc1C#N 1537996773 BXPISLUBWMAVIR-QGZVFWFLSA-N 429.521 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccc(C)cc1 1539296623 RYDAWTGDZNYQEB-MOPGFXCFSA-N 427.574 2.463 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1539370335 VIBQAVXEKBQDIV-SIKLNZKXSA-N 438.576 2.276 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCc2ccccc21 1539420598 IXMXLGLJPDRUSB-XMMPIXPASA-N 434.544 2.060 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1539427640 FSILOSLLKWAKLL-CVEARBPZSA-N 426.487 2.465 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1539461357 DWOOYEXVBCUJMJ-IBGZPJMESA-N 432.519 2.151 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1539871765 SOHFAVSBZDQBKI-QGZVFWFLSA-N 440.539 2.175 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1539924166 ONCZYDHMYXBICE-UHFFFAOYSA-N 425.581 2.124 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1539939950 MHDBNOMHBWAQMH-SXLOBPIMSA-N 436.560 2.299 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1540864362 XPLSANJNMNVFFH-NHCUHLMSSA-N 449.559 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC)[C@@H](C)C1 1540864585 FNSMBFGYEBZXEH-HNNXBMFYSA-N 434.491 2.379 30 10 IEEE Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978027 FLDQJGSBDZBLLH-DMEQXSTQSA-N 428.489 2.203 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1545760763 IESSMFRYXOMOKW-MSOLQXFVSA-N 429.546 2.126 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1555070425 AEWUKKAGIOWQQH-GOSISDBHSA-N 443.573 2.442 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(C#N)C1 1555687024 LOAVHZYZNUFOAP-QFIPXVFZSA-N 434.504 2.334 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 1557181837 IAOSNQSZAHPVJH-RLFYNMQTSA-N 435.546 2.051 30 10 IEEE C#C[C@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC 1562144996 CPWAPCWHBHIFHW-KRWDZBQOSA-N 436.578 2.429 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)C1CCOCC1 1565106766 WLNGAFDEFBKGSE-HSZRJFAPSA-N 440.588 2.085 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1587804082 UNLIJLRALIBNKQ-INIZCTEOSA-N 442.951 2.332 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588064240 DOGAIALEVHGVIW-YTQUADARSA-N 428.558 2.160 30 10 IEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1588068996 DSEWUSWXHPFSCK-MRXNPFEDSA-N 449.602 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCc1nnc2n1CCCCC2 1588155691 VDPVTYNWBDQWAR-UHFFFAOYSA-N 434.573 2.267 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccn(C)n2)CC1 1588752735 UIEQGBZDGRYLIB-UHFFFAOYSA-N 440.349 2.245 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CCOCC)CCCC2)CC1 1588800532 JOWGBBIXBLVSRC-UHFFFAOYSA-N 425.581 2.421 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1589134781 PKYBTLFCLJJTGH-RBUKOAKNSA-N 430.578 2.215 30 10 IEEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593877942 AEMHETNAEQLOBG-UHFFFAOYSA-N 434.972 2.238 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1594819351 CCDCKVZHOCUUAY-HSZRJFAPSA-N 437.548 2.342 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1595577406 RNKCNZUDXUHZNL-OALUTQOASA-N 425.533 2.331 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1596596455 RAOLQOWSFBDRDC-QAPCUYQASA-N 426.510 2.241 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)ccc1F 1603475275 NURAVVGSDSGTMO-CTYIDZIISA-N 441.525 2.323 30 10 IEEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)o1 1612014569 OTDWDXVSJKJDMS-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@]3(C)C(=[N+]([O-])O)CS(=O)(=O)[C@@H]23)cc1 1615951858 YYVMHFKXEKSAPI-SLYNCCJLSA-N 435.498 2.348 30 10 IEEE C[C@H](NC(=O)[C@H](C)N1CCC(c2ccc(C#N)cn2)CC1)c1ccc(S(N)(=O)=O)cc1 1620449820 BHLLYCANNAUBBS-HOTGVXAUSA-N 441.557 2.046 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCC(c4ccc(C#N)cn4)CC3)cc2C1 1622533808 WZPICNKHRPRILE-UHFFFAOYSA-N 430.555 2.488 30 10 IEEE COC(=O)[C@@H](COC(C)C)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1622942470 WKGHLMWVMPLCRW-QGZVFWFLSA-N 438.322 2.182 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 1626149972 AJHUJKPXWMRMLS-UHFFFAOYSA-N 434.544 2.379 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1629300119 BOWHKLWRJZNLKX-HNNXBMFYSA-N 449.943 2.048 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](CC(F)(F)F)C3)CC2)cc1 1630093962 GLCSLKTZHLFJHC-MRXNPFEDSA-N 445.463 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)=NO2)C1 1631964736 ROWIVGGXHOQDIF-NRFANRHFSA-N 425.489 2.231 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H](CC#N)C(F)(F)F 1638790308 GCLHJMWMULESKK-CVEARBPZSA-N 449.451 2.112 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1641521846 UBLSENWPUMQUDQ-KRWDZBQOSA-N 438.509 2.038 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 1643422548 KFPYPYUUQOGOQB-UHFFFAOYSA-N 430.438 2.013 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1649537966 JAWODERYBTUKBJ-JPYJTQIMSA-N 435.532 2.406 30 10 IEEE CCCCn1c(SC[C@H](O)CC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1651673456 DOYSKRQZEDRAAF-OAHLLOKOSA-N 438.575 2.224 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCc3c(sc(N)c3C#N)C2)cc1 1656381421 ZJEPKXRJDNVFER-ZDUSSCGKSA-N 447.586 2.274 30 10 IEEE C#CCCN1CCN(S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1666721417 IXBMNQWWFKXBDQ-OAQYLSRUSA-N 433.574 2.148 30 10 IEEE C#C[C@H](NC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)C1CCOCC1 1678433302 INRXPZSVHWWHEZ-KRWDZBQOSA-N 427.592 2.049 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1689884055 HHKHBMHZFQXDMN-GOSISDBHSA-N 428.562 2.148 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OC)c1OC 1690035044 ZTGCVKTVMUYJKA-XMMPIXPASA-N 438.528 2.459 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1690039729 QQFAHIRRFHIPPO-SFHVURJKSA-N 433.537 2.391 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnccc2OC)CC1 1690134790 GAZYLWXCBPMTFR-TZIWHRDSSA-N 438.576 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(F)CCC2)CC1 1690137904 LISHLRBAKQYFOS-HSZRJFAPSA-N 447.555 2.178 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCCOC)C1 1690243743 OUJXCXHREZVDHC-GGPKGHCWSA-N 428.537 2.348 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690290571 PLPCEAMOWPZYFL-QGZVFWFLSA-N 439.607 2.240 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1690678850 CJCHMBCOSGAFSU-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cnnn1C 1705485642 MNIHCHAXNRNADY-GFCCVEGCSA-N 430.310 2.351 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705514015 HEBXMHGRENDLRT-SIKLNZKXSA-N 435.576 2.132 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705538659 WKOMNZIDWOJRCA-DLBZAZTESA-N 429.546 2.067 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCC1 1705607090 PQKNKTMSVHQTNG-UHFFFAOYSA-N 444.605 2.139 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCN2CC)CC1 1705634079 IXHKLYVVPWHTQK-NRFANRHFSA-N 437.548 2.483 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCn2cc(CO)nn2)CC1 1705770861 XDNAAQLTASDEEX-UHFFFAOYSA-N 437.548 2.402 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1705786208 IRDXXUGQCCQMSJ-INIZCTEOSA-N 426.631 2.411 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705838663 XFNWUMZFUSOKEX-QZTJIDSGSA-N 437.552 2.042 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1706079081 DFXLNLKOGLFYNX-AZUAARDMSA-N 437.548 2.074 30 10 IEEE CC(C)N(CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1706563538 RYIXEJZDYCEWJE-QGZVFWFLSA-N 443.552 2.243 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710269940 GHDMGLHFBWERGL-UTKZUKDTSA-N 431.585 2.398 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCSC1 1711045533 DSBNNSNRHKQHMX-MJGOQNOKSA-N 429.546 2.476 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1722297697 MMGVWHLLEFUXDN-MRXNPFEDSA-N 428.562 2.136 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2nccs2)n1 1722428548 XIMJCQORWIDZEI-UHFFFAOYSA-N 434.529 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)C)CC1 1722444454 YKKZHSXFVPSUFF-OAQYLSRUSA-N 434.544 2.454 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722481531 BNSWHCMLXLXNRG-CQSZACIVSA-N 432.326 2.235 30 10 IEEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722652868 PKYJNEUCSJMUMH-QGZVFWFLSA-N 433.553 2.444 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOCC2)cc1 1730194706 AWLGYPFGHIYFKT-JOCHJYFZSA-N 444.511 2.030 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730480013 IHWFFRDJMDVBHT-ZBFHGGJFSA-N 440.483 2.208 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2ccccn2)c1 1740562692 MTFYCVRFHMIASD-UHFFFAOYSA-N 438.495 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)NCC(F)F 1740649006 MHYUYSDRXFKKLM-HNNXBMFYSA-N 433.434 2.401 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740709293 LWOSCKHDTSLHRP-PMACEKPBSA-N 446.665 2.394 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(CC)C1 1740953970 XYBLZNSAVNGCBW-GOSISDBHSA-N 437.342 2.343 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1740961897 LSKXDLFJWUOVCF-FQEVSTJZSA-N 445.571 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C)C1 1740994378 QQIKGBDVVCRZFC-HOTGVXAUSA-N 438.525 2.211 30 10 IEEE C=CCSCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1741004775 MAMVERDPLXIMFU-AVRDEDQJSA-N 449.621 2.439 30 10 IEEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1746668175 AZYMDSUZMIMZEO-QFBILLFUSA-N 425.480 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1748670625 BAHUMXXAJGQKSL-XHSDSOJGSA-N 444.557 2.018 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1748702649 OTIXIZJYXWZDJD-JOCHJYFZSA-N 445.571 2.363 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCN(CC)CC1 1748773721 CTXOFMZXVYVABG-IBGZPJMESA-N 432.576 2.431 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1CC 1749592269 FMNIQLBTNFRZOW-UHFFFAOYSA-N 449.357 2.345 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C(C)C 1749655162 DPLYEFJSVCWIOB-SFHVURJKSA-N 431.562 2.276 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1COC(C)(C)OC1 1749658271 MKUDRCASDZDJKT-UHFFFAOYSA-N 434.928 2.131 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2cc(OC)c(C)cc2C1 1749676495 SDWGPZRUHVRZIA-UHFFFAOYSA-N 432.528 2.446 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCCC2=O)C1 1749717390 KLAQWQIHQHJALA-HXUWFJFHSA-N 441.580 2.324 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CCCn2cc(CO)nn2)CC1 1751278794 NCFHLMJQFBAXRP-UHFFFAOYSA-N 426.550 2.235 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)CC1 1751279046 QEAIWZFQDZCHMJ-GOSISDBHSA-N 448.593 2.241 30 10 IEEE Cc1cccc(C)c1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1751594599 CJMCQYYPKNYVEU-LAUBAEHRSA-N 431.537 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1760117618 REIZQHMCQQKJDH-WBVHZDCISA-N 431.562 2.259 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760136845 LTUSABFYVOZJNV-ACRUOGEOSA-N 441.624 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnc2n1CCC2 1760208817 KEMMIGIHSRGNNI-UHFFFAOYSA-N 442.527 2.196 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1760234044 SBOULQFQMUOSKP-KRWDZBQOSA-N 433.553 2.305 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1760239220 AGWNVHVKCFHPBM-UHFFFAOYSA-N 427.896 2.123 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCCC 1760244406 UAMASIKVRHYCHF-UHFFFAOYSA-N 434.338 2.320 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760247494 CXUZKQININQGKR-HNNXBMFYSA-N 425.562 2.394 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1760252959 ZBJZSXADOGRQHJ-UHFFFAOYSA-N 425.524 2.162 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1760490152 QTQSDZXBQSEECE-NJNPRVFISA-N 429.544 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@@H]1C 1760518164 KPTBVCLCGCKPAJ-LBPRGKRZSA-N 438.301 2.374 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1760544645 DNKDAYLFLCYENM-NVXWUHKLSA-N 431.541 2.373 30 10 IEEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760559637 JJADRCZZUHZRCS-MAUKXSAKSA-N 449.552 2.428 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760694305 QAUXCCNEVFRSHC-IAGOWNOFSA-N 443.552 2.023 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1765907758 JKEHOYKJPRFSAO-HSZRJFAPSA-N 438.532 2.262 30 10 IEEE CO[C@@](C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1769535041 CLNYIVHGNZRQSS-QHCPKHFHSA-N 438.532 2.103 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1771261555 IROIVGOUMOHFSH-WTPASJBYSA-N 443.573 2.217 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1771271838 ADDFETVODUUZRO-GOSISDBHSA-N 440.548 2.173 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1771535992 FZOCGSAMXQDIQT-OALUTQOASA-N 430.940 2.174 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)CC2=O)cc1F 1850442466 AOBRCHFKTCIDLP-LJQANCHMSA-N 440.519 2.488 30 10 IEEE CN(C)C(=O)[C@]1(F)CCN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)C1 1851095717 DVWUNHPBUUJWJB-QHCPKHFHSA-N 441.482 2.491 30 10 IEEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)ccn1 1853658109 YUQXSBSKOMDDJO-AWEZNQCLSA-N 427.360 2.134 30 10 IEEE CC[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977825 UIYUGYXKRSPIIJ-OAHLLOKOSA-N 428.514 2.317 30 10 IEEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2cccc(Br)c2)C1=O 1873057351 ONWQPJCUWLQTRU-UHFFFAOYSA-N 434.334 2.027 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)c2nc3nccnc3cc2Br)C1 1891357337 YUDGSUKIEOXPSE-UHFFFAOYSA-N 425.246 2.205 30 10 IEEE CN(C(=O)CCc1ccc(Br)cc1[N+](=O)[O-])C1CN(c2nccnc2C#N)C1 1891784495 IMINVDDUDOLHHL-UHFFFAOYSA-N 445.277 2.299 30 10 IEEE C#CCCN1CC[C@@H](NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2083718351 UXWMBIRKFIWRJG-UXHICEINSA-N 443.544 2.227 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccnc(C#N)c1 2195261585 YXUQEWSYJOCBDW-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE Cc1cnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224130843 GWWGIESTTQNNCV-MRXNPFEDSA-N 433.358 2.419 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243417657 QQOWEDSTKVOROV-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 2247566313 DTJAWQZFHVBEEL-WHKWTHTOSA-N 427.545 2.046 30 10 IEEE Cc1c(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534613 JTXWTNFWJSOARY-KBPBESRZSA-N 436.362 2.059 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602441 SJVOSIWHWZLUQS-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256618419 QCKOHOKAXJLMEC-XJKSGUPXSA-N 435.330 2.248 30 10 IEEE CC1(C)OB(c2ccc(F)c(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2266973366 FAMJUTSKMNNEOM-IBGZPJMESA-N 444.234 2.408 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2267141048 VCLQDNPWWJBXIZ-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)CC[C@H]4C3)[nH]n2)OC1(C)C 2267142523 VTNKODPAEYECHJ-OALUTQOASA-N 436.365 2.303 30 10 IEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267145949 JYKVWKJFUANVED-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE Cn1cc(C(=O)N[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267187712 BZGYQVALPLVUHQ-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267191223 ZGGLRADZAOSNPB-ZBFHGGJFSA-N 448.373 2.143 30 10 IEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267523560 DGIGUEZHWNEEFL-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267540330 WSSZMTNQGYSNMA-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267597677 WVISVABHVFOFOJ-ROUUACIJSA-N 446.353 2.398 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2268643139 WMVOFHQGRZAVHP-HOCLYGCPSA-N 447.341 2.249 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2268651123 UKZATUJSIBTTGI-FOLVSLTJSA-N 444.341 2.136 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCC3(CC2)OCCO3)OC1(C)C 2282861146 KULHIQRAPAZTQG-AWEZNQCLSA-N 443.396 2.401 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 2296610047 UWCFIGCVNQJRRU-IBGZPJMESA-N 444.919 2.434 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2314907584 BLACFZAUXAXQCC-UHFFFAOYSA-N 446.378 2.460 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)n1 2315389741 GKDGGXBUKFBYER-QGZVFWFLSA-N 433.358 2.107 30 10 IEEE COc1cccc(C=CC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1OC 2323202544 IDEBKTLRPPNZGE-UHFFFAOYSA-N 438.480 2.359 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1OC 6381314 IDCSARZPTDJXQC-GOBJLOIFSA-N 425.485 2.472 30 10 IEEE CCCN(CCC#N)C(=O)CN1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C 34792817 KASDRHWVVHZZKJ-LJQANCHMSA-N 429.908 2.285 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccncc2)/C1=C(/O)c1ccc(F)cc1 102543936 XYFCFBXEBIKJIW-LCPUNJGISA-N 425.460 2.365 30 10 IEEE N#CCCN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Cc1ccco1 229999858 OHSOGVUSEPOUAN-MFOYZWKCSA-N 442.541 2.140 30 10 IEEE CC(=O)N[C@H](CS)C(=O)Nc1cc(Br)ccc1I 385440985 STTGOXUVRIJOJF-SNVBAGLBSA-N 443.104 2.427 30 10 IEEE Cc1ccc(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1S(=O)(=O)NCC#N 434032142 QHIXCGZJCYHOAZ-INIZCTEOSA-N 443.451 2.181 30 10 IEEE CCO[C@H]1C[C@](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)(C(=O)OC)C1(C)C 444562364 MIOZUTJIIQJWJI-JTSKRJEESA-N 427.505 2.013 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 473579175 VJCXEXUABQPFNY-HNNXBMFYSA-N 438.962 2.380 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C2CC2)c1=O 478838932 GRJFQNJPOVZCAS-HNNXBMFYSA-N 426.513 2.445 30 10 IEEE C[C@H](C(=O)OC(C)(C)C)c1noc(CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 482541405 FZRVDRHAVJSYTR-SWLSCSKDSA-N 425.445 2.444 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)cc1 489327415 GJZYIKRPQMGROW-UHFFFAOYSA-N 426.420 2.265 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCC2 503115723 JJMPBIUXBXIJND-NRFANRHFSA-N 435.546 2.478 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 503637090 YKUCXFZYDGYVPZ-INIZCTEOSA-N 435.955 2.058 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(CCCOc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506591206 GTAMUDDSFIWIPS-QFIPXVFZSA-N 436.560 2.182 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@H]1CCCN(CC#N)C1 507547948 HWIHTXODGGCENP-CYBMUJFWSA-N 428.352 2.126 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 508826824 JXWCYHKDCWIQFW-LJQANCHMSA-N 444.492 2.186 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508916664 HOKUAWBJGXMJBJ-UHFFFAOYSA-N 439.520 2.174 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H]1c1ccc(Cl)cc1 509149325 FKJRDRKHASKXSG-GHTZIAJQSA-N 438.919 2.410 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(F)c1 510377766 PYLFQZBFXKCXDO-SNVBAGLBSA-N 425.379 2.306 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C[C@@H]2CCCCN2C)CC1 523854352 GNCYVCWUHIWWDW-RTWAWAEBSA-N 427.593 2.432 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)n1 531652936 CEVDJONCDCCRGM-INIZCTEOSA-N 441.553 2.001 30 10 IEEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC1)C2 535984833 JJXDFFQPAFIHIR-PMACEKPBSA-N 444.601 2.147 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(C)c2=O)c1 538497293 MUBDBBQDNLDREA-UHFFFAOYSA-N 425.897 2.198 30 10 IEEE COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 546208799 DFRCVDTZKOSBFQ-OAQYLSRUSA-N 435.528 2.456 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)c1C#N 562178812 JUCIFCSCHKIBPK-ZDUSSCGKSA-N 431.468 2.303 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 569142147 DIGOMQADBQMXGY-INIZCTEOSA-N 443.639 2.299 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)c3cncc(Br)c3)CC2)c1 586388736 STRAWFVFUQEBKV-UHFFFAOYSA-N 443.301 2.331 30 10 IEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C 590943551 MYXYKOUFORAHQY-SFHVURJKSA-N 447.560 2.170 30 10 IEEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nc(C)cs1 609213806 IKRYHETUQHTKNE-INIZCTEOSA-N 433.559 2.490 30 10 IEEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccoc3)c2=O)c1 727418590 UDXXEOSNUGTCKE-UHFFFAOYSA-N 436.489 2.381 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O 730142995 QYWHNQCCYMYHGT-INIZCTEOSA-N 431.587 2.385 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C 731459375 FYBJGAPAVWTNOU-UHFFFAOYSA-N 428.496 2.179 30 10 IEEE CCOC(=O)c1sc2ncc(S(=O)(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2c1C 732669178 HWDUTVNJMSSMGC-AWEZNQCLSA-N 434.543 2.142 30 10 IEEE CN1C(=O)C[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)[C@H]1c1cccc(Cl)c1 734703469 AWBZTSGOXGDQNF-IEBWSBKVSA-N 431.901 2.377 30 10 IEEE C#CCCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 742213978 SAXMHBOLLXEERW-IBGZPJMESA-N 425.558 2.361 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 760777825 GKEDNCVBOLNDDM-UHFFFAOYSA-N 445.520 2.085 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN3C(=O)OCC[C@H]3C2)cc1 764427337 YVMSUSJUEGPJFU-SFHVURJKSA-N 437.500 2.439 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccn(C)n2)C1=O 765546248 ZDUPTOKLMHHZJE-GOSISDBHSA-N 446.552 2.149 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 771539857 FHQZYULESHMFBF-QGZVFWFLSA-N 435.513 2.413 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C#N)cn1CCOC 775766705 CGGNQBGHBCBQHE-HNNXBMFYSA-N 449.508 2.314 30 10 IEEE COc1cc(OC)c(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 779504446 BHJBBUVOMNSJOD-FOCLMDBBSA-N 439.266 2.114 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1 792161526 SXCMUVOTLCPMNH-RJCBAWPRSA-N 446.479 2.077 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCO[C@]4(CCCOC4)C3)nc12 795633074 SNYQNAZKKRHNEL-OAQYLSRUSA-N 427.530 2.205 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@@H]3C2(C)C)C1=O 799027266 WBDIUBJXPAAOIJ-XPGVTRPJSA-N 435.565 2.330 30 10 IEEE CCN1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 801670259 CXPUNOHUQPVHCT-USMQXWLVSA-N 435.550 2.022 30 10 IEEE CCc1noc(C[C@]2(O)CCCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)n1 856674460 LGLVYOPARJJUOB-GAJHUEQPSA-N 441.532 2.345 30 10 IEEE COCCOc1cc2c(cc1C=Nn1cnc3c(cnn3-c3ccccc3)c1=O)OCO2 920752108 WOJWXKGGZKQCCY-UHFFFAOYSA-N 433.424 2.218 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CCN4CCCC4)CC3)C2)C1 1135915428 LIIKJUGGLBLVOF-ITGJCUMNSA-N 445.608 2.013 30 10 IEEE COCCN1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1136648465 PVWOLEYELBGOMK-FQEVSTJZSA-N 428.533 2.183 30 10 IEEE CC(C)[C@@H](C#N)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1138582700 IVPSMVIKMBJJSB-CQSZACIVSA-N 441.326 2.413 30 10 IEEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OCC 1140929215 CZYCXXXZFNGBGA-OAHLLOKOSA-N 443.953 2.150 30 10 IEEE CN1CCn2c(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)nnc2C1=O 1153931947 NTXJATYNMVCAPI-UHFFFAOYSA-N 432.509 2.458 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)c1 1165621548 QBGDEVBZKQBTAP-FQEVSTJZSA-N 444.369 2.326 30 10 IEEE COC(=O)[C@@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1174680070 BLFPDHBDFLOZEV-JOCHJYFZSA-N 428.464 2.307 30 10 IEEE CCOC(=O)C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1207456627 IDNLGFCKZDLXFK-CABCVRRESA-N 426.395 2.237 30 10 IEEE Cn1cc(CNC(=O)NCCN2Cc3ccccc3OCC2=O)c(-c2ccc(C#N)cc2)n1 1226081450 ARJBFDFKTQBYGC-UHFFFAOYSA-N 444.495 2.179 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCC[C@H]2C)CC1 1286473100 IFOZSLCAWUPLPA-LJQANCHMSA-N 438.576 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286784815 URHXLFCKJGMBJJ-FQEVSTJZSA-N 435.532 2.350 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1286969067 DETDECNWWVVZRU-AWEZNQCLSA-N 433.463 2.084 30 10 IEEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)OC 1293962909 ICDBCFDQIXAAHR-RBUKOAKNSA-N 446.577 2.150 30 10 IEEE CCCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c(C)n1 1294157908 ZXZHZUQIDZZXAA-DYESRHJHSA-N 428.516 2.415 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC=C 1300597352 FDXYBRNABJDKLG-UHFFFAOYSA-N 429.546 2.208 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)Cc1ccccc1 1300642855 WAPGLHYKQMRPSY-FPOVZHCZSA-N 425.533 2.120 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1([S@@](C)=O)CC1 1300664706 SMJNHGZXBUBUHP-WJOKGBTCSA-N 438.557 2.128 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)cc2F)CC1 1300685206 JISRJAFIWGUTEA-QFIPXVFZSA-N 431.487 2.012 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2c(C)noc2C)CC1 1300690416 AGZOQQTZDQXGAN-UHFFFAOYSA-N 436.516 2.371 30 10 IEEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(I)cc2)CC1 1300701398 RBVVJNRTMXTQDZ-UHFFFAOYSA-N 435.313 2.249 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1300761371 BVIFGXRYKGLFHM-LEWJYISDSA-N 441.601 2.004 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)CC1 1300983428 ZERNSHZUOYYDRE-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE C=CCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301234661 OMIKXRZFLSARNW-PGRDOPGGSA-N 432.569 2.325 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccnc1N1CCOCC1 1301420633 HHBJDMOGUAYFAB-UHFFFAOYSA-N 437.548 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301578251 UNJFQVCPTCPJTM-ROUUACIJSA-N 446.573 2.417 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C)n(C)c1=O 1302022513 DUQCOPBTAMQSHU-KRWDZBQOSA-N 428.537 2.188 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1302466084 BYHHYBPGXROQRQ-UHFFFAOYSA-N 432.532 2.491 30 10 IEEE C#CCC1(NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCOCC1 1303778653 YSANLDRYRORJBA-UHFFFAOYSA-N 438.855 2.326 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1C(F)(F)C12CCC2 1303835071 VSGIKEJXKSDREI-DZGCQCFKSA-N 442.536 2.454 30 10 IEEE Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C 1304233650 XHELBRAMGKWNIR-QGZVFWFLSA-N 446.939 2.069 30 10 IEEE Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1304307555 NMERRZNWVVYAMT-UDJKBAMHSA-N 440.504 2.377 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1305643051 GPQZPPXLGHUVKK-SFHVURJKSA-N 447.543 2.495 30 10 IEEE C=CCN1CC[C@H](N2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)C1=O 1307909279 UYIQUXPVNOVZBT-XIRDDKMYSA-N 443.441 2.458 30 10 IEEE Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2cc(Br)ccc2C#N)c1 1309225075 CJOHOISFQXYRKL-OAHLLOKOSA-N 425.304 2.347 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@H](CCc3ccccc3)c3ccccn3)C2)c(=O)nc1O 1313156120 NKOBFYCXYPLIFW-HXUWFJFHSA-N 430.468 2.156 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1314948920 DTRNZYVQSGPACJ-CQSZACIVSA-N 426.912 2.185 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1316273872 FNZIMOUMXOIDJV-BURNTYAHSA-N 441.532 2.050 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCCO 1358979106 CGXNHDCCLFGYFG-IBGZPJMESA-N 445.564 2.212 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1359014812 XTWXVVNEEJCEPM-INIZCTEOSA-N 434.587 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1359022371 XLAZVKYMTGGTKA-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359036268 RUMCWWFDKIQTKM-HBMCJLEFSA-N 428.625 2.294 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1359060377 UAPPGNCNXMMCHU-UHFFFAOYSA-N 437.573 2.241 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1359061956 QZCVLDAZSFLGMV-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359098306 ZRDCJVBOOJFHOV-QYZOEREBSA-N 438.594 2.167 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359197008 AHYFTTZYSMNRTQ-QGZVFWFLSA-N 442.568 2.445 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359227228 WVJFXSSYSWGTHQ-IAGOWNOFSA-N 448.568 2.315 30 10 IEEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1359267992 ZGHFJOQSXLYTGL-NQIIRXRSSA-N 438.594 2.464 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1359474826 XTARJRNFFAXHQP-BRWVUGGUSA-N 435.573 2.132 30 10 IEEE CC(C)(C)OCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1359583972 LABFZTUIDXMQSR-HXUWFJFHSA-N 425.472 2.178 30 10 IEEE C#CC(C)(C)N(C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1459941232 RMTIUGIWSKQBQV-QGOAFFKASA-N 445.541 2.200 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2C#N)C1 1461787696 REQQLFANKFEJTE-UHFFFAOYSA-N 428.426 2.456 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C(=O)OCC 1463723270 CPQAQHQGTICVDG-CQSZACIVSA-N 434.308 2.412 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1468558505 UJAAMQMSFNYMOH-UYPAYLBCSA-N 448.519 2.261 30 10 IEEE C=CCOc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1OC 1472250021 RXHHWALSAMJEMC-MRXNPFEDSA-N 445.516 2.210 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493244665 LXECQHFEEKDZMX-ZNUSLJCYSA-N 428.537 2.181 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1494572129 XOOLNQNIYFYQPF-APWZRJJASA-N 446.502 2.398 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1 1502207975 ANFKOXZOMHCTRG-INIZCTEOSA-N 430.578 2.170 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1503793356 UOBMUQFODSOUMT-CVDCTZTESA-N 438.532 2.117 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)c1 1504323061 ULNAUGZBXVRTGT-AEFFLSMTSA-N 426.521 2.349 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1505097688 DGZMAHNZYDSGRB-UHFFFAOYSA-N 435.488 2.006 30 10 IEEE CS[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1505161294 HKQIOITVJSKMMD-OAHLLOKOSA-N 437.577 2.332 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1507522589 DXBAZBDPXFCGSG-RBUKOAKNSA-N 440.592 2.446 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@]1(OCC)CCOC1 1507576819 ZWDZSJJQQABMSM-GCJKJVERSA-N 433.553 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1cnn(C)c1 1507636292 AZQJOLNIHUIXJL-UHFFFAOYSA-N 449.946 2.301 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC1(O)CCS(=O)(=O)CC1 1507699521 HWYFIUFEJDJCTI-UHFFFAOYSA-N 434.537 2.120 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)C)CC1 1507721620 KOIQEUIDZLWENX-GOSISDBHSA-N 442.539 2.227 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[C@H](O)C2)CC1 1507739457 QCLATFGZXBMIRW-IHPCNDPISA-N 429.565 2.037 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1507809217 URTPPDJJMPHPRV-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1507840090 LXUGXXJERVUJPU-UHFFFAOYSA-N 438.536 2.002 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507846923 BWSOOLSRGVSVAY-SFHVURJKSA-N 446.596 2.124 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1508165377 SYAGHDGVGGVJOM-LJQANCHMSA-N 429.590 2.340 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509000013 LYLYQHYBLKTZRC-LSDHQDQOSA-N 435.532 2.255 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCS(=O)(=O)C1 1516334306 DYNRYLVEQPZJGH-SJORKVTESA-N 447.561 2.286 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)Nc1ccccc1 1516539410 PJCZHFPHVUUXIJ-UHFFFAOYSA-N 447.499 2.378 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(Br)c1 1516607905 FJSTVHRYUDUPBF-AWEZNQCLSA-N 436.310 2.363 30 10 IEEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1533635913 XXGRMYKYVDJKCM-GOSISDBHSA-N 433.574 2.039 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCCC 1539003226 MWQNXDZWHGJLOV-INIZCTEOSA-N 435.532 2.049 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539076136 NCXLUAPGEFZDLZ-UHFFFAOYSA-N 429.528 2.425 30 10 IEEE C=CCCO[C@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1539199032 GQNPYXWCKBULNP-IUODEOHRSA-N 428.270 2.272 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539212470 PAZURTCQTTUMEP-NRFANRHFSA-N 441.601 2.230 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccco1)N1CCCC1 1539392152 MQLKLPMNAYZDQU-IBGZPJMESA-N 440.548 2.030 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2c(C)nn(C)c2C)n1 1539424148 MFOCFNLFWWXZEN-UHFFFAOYSA-N 436.564 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540866512 POFYQNGYKOPYAV-BLLLJJGKSA-N 449.342 2.269 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ncccc2F)CC1 1540870273 IYMAMXQDPAKIFS-GOSISDBHSA-N 443.527 2.073 30 10 IEEE Cc1c(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cnn1CC(C)C 1542094106 JELAIKBGXMOMDZ-NRFANRHFSA-N 428.516 2.165 30 10 IEEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978847 ZFPDPPLCKNBTKC-ZZEZOPTASA-N 428.489 2.010 30 10 IEEE CCn1cccc(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)c1=O 1547625102 CTKIZKMQBBEMJX-OAHLLOKOSA-N 444.499 2.420 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1548322614 OANYUTVCUKQLNX-SFHVURJKSA-N 447.561 2.025 30 10 IEEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCn2cnnn2)cc1 1554893489 CCJONLUALXVNDQ-QFIPXVFZSA-N 435.536 2.279 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCC2)CCO1 1555992055 FNSQPCHGCBXKIT-CYBMUJFWSA-N 436.285 2.490 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 1558234693 CNQMECPOROQPBP-JQHSSLGASA-N 447.557 2.116 30 10 IEEE C#CCNC(=O)CN1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1559900598 QZWJHRQMEWEPIH-UHFFFAOYSA-N 429.565 2.453 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)CC1 1559922334 FJHSGZOBIYGHQP-FUDKSRODSA-N 428.577 2.190 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN(CC(=O)N(CCC#N)CCC#N)CC2)CO1 1560190745 RZOMOHPQODFMPQ-SFHVURJKSA-N 433.553 2.038 30 10 IEEE Cc1c(Br)cnc(O)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1567387485 BERSJQIOZLDNEP-JQWIXIFHSA-N 425.283 2.347 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 1570563833 XQNHAIJUBHOPKR-QGZVFWFLSA-N 429.542 2.416 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(C2CCOCC2)n1 1584816284 XSDZGKOWUMCQSU-KRWDZBQOSA-N 445.545 2.327 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1587989738 OAHSGPCBCSPGCW-WOJBJXKFSA-N 427.574 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)C(C)(C)C 1588124390 KJOQATDTIBPPTG-SFHVURJKSA-N 442.589 2.372 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1589109710 JBQVKAHSKBNCPR-JOCHJYFZSA-N 443.548 2.004 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCNC(=O)C1CCC1 1589143157 ZUJUMSVGODQCTE-HSZRJFAPSA-N 428.581 2.495 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCN(C)C2)CC1 1594024052 QXZKBCCZIZISCU-LJQANCHMSA-N 435.370 2.269 30 10 IEEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)CC1 1594408094 DHSSFTKDGVRFEH-UHFFFAOYSA-N 428.562 2.302 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 1594733106 NERBRIOXGKIYFB-LJQANCHMSA-N 449.577 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)[C@H]1CC 1595506762 LXHBODVRSQNWLU-OAHLLOKOSA-N 437.331 2.269 30 10 IEEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c2ccccc21 1596984884 OYNMOGJJNJISKT-BVZFJXPGSA-N 447.539 2.432 30 10 IEEE C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1607813948 MDGRFVOJFUFNAK-KRWDZBQOSA-N 436.553 2.315 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(F)cc2)N(C)[C@@H]1C 1613902926 ZHPKDOHLHNPQCH-KZBOTLQBSA-N 430.523 2.261 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCS(=O)(=O)CC 1616814634 FRLGXCDBFGVTAJ-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1618045203 FRFUGDCDWPWYKS-ZMMDAZFZSA-N 436.463 2.138 30 10 IEEE CN(CCCc1ccccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1618214587 PECNPGRTHWEATG-MRXNPFEDSA-N 440.529 2.157 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)C(=O)OC(C)(C)C 1626122539 DNPJNEUBEHJOAQ-UHFFFAOYSA-N 437.562 2.001 30 10 IEEE CCOC(=O)[C@@H](CSC)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1638238612 PYASRSNATBWRBT-CQSZACIVSA-N 426.336 2.168 30 10 IEEE CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)no1 1640636952 QOUXSGUPFXAVTQ-UHFFFAOYSA-N 434.456 2.156 30 10 IEEE C#CCOCCN(C)C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1649057366 SCCINRDAJFMIIX-CALCHBBNSA-N 428.558 2.444 30 10 IEEE C=CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)CCOCC1 1663000656 VLMHCXXCAAACRW-UHFFFAOYSA-N 432.564 2.251 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C(=O)OC 1664950633 CTHADFBABDVMAF-CQSZACIVSA-N 446.312 2.325 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 1669726044 GAIMJNKOGSBAKC-NRFANRHFSA-N 428.510 2.125 30 10 IEEE C#CCCCCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1689895218 MLMJLNFBMWJLID-UHFFFAOYSA-N 442.608 2.220 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1689992628 NJRSOMOKGAZGOU-KRWDZBQOSA-N 435.619 2.419 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@](C)(O)c1ccco1 1690104520 YWRBTPUVJPRLEB-AUSIDOKSSA-N 438.484 2.377 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690239537 YDCCZOOIXXFNIG-PXNSSMCTSA-N 449.552 2.218 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690330383 FTXVLJLZEGCIDE-CABCVRRESA-N 439.948 2.329 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690481229 YGINVAMSOBEBGT-UHFFFAOYSA-N 438.580 2.226 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N2CCOCC2)CCSC1 1690512242 RFZCTSRKIVDJQO-OAQYLSRUSA-N 436.626 2.027 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1)C1CC1 1690535520 BBIDGKCEYCAMGT-OAQYLSRUSA-N 431.924 2.168 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1690583772 WQMOJCSHUTVPJT-RTBURBONSA-N 437.610 2.063 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690663634 CFCHNALWSBDRJU-VFNWGFHPSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCCC)CC1 1690722564 NQKWQTXTUJNJDL-SFHVURJKSA-N 436.582 2.065 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1691035090 UEVGKCKAPXBHFN-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1696808559 SERSDDBZKWTUPB-UHFFFAOYSA-N 447.952 2.238 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1noc(CC)n1 1705491742 HPYPRVBJFBPSPE-INIZCTEOSA-N 435.536 2.098 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC1CCOCC1 1705580573 KPMMCHAIBFNXHN-UHFFFAOYSA-N 446.511 2.252 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)CC 1705591601 GDCKUSIBKDTWAT-UHFFFAOYSA-N 436.484 2.444 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N(C)C)nc1 1705623293 MRBGYODBEPUJLL-UHFFFAOYSA-N 435.488 2.449 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCOCC2(C)C)CC1 1705634094 JFSCHWDENAFYBI-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1705644241 JSQYDYCFGILSRW-MSOLQXFVSA-N 429.565 2.301 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 1705709446 PNDBQCOQUZBCHR-DYESRHJHSA-N 446.573 2.416 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705730768 NRVZCJNLAAYUGC-JXFKEZNVSA-N 443.614 2.122 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1705820043 ZJWDUTXQKKVLBO-INIZCTEOSA-N 436.607 2.238 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1706751739 SYNDSEYABDHOGN-VWKPWSFCSA-N 444.561 2.346 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1708038070 TWYFCUOPZJGKDW-IERDGZPVSA-N 431.562 2.239 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)OC 1712152503 DFSOQLRUBWCKEC-DOAHWQAKSA-N 441.532 2.251 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722362596 NTOWHRAGKLWOHI-RDJZCZTQSA-N 449.964 2.047 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc2c(s1)C[C@H](C)CC2 1722418831 FBPMVNIUDSCRDC-MRXNPFEDSA-N 442.589 2.230 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 1722539509 RULGJOBSZROUIX-JPYJTQIMSA-N 425.533 2.432 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1722542903 AQPKJABREXTNPW-LBPRGKRZSA-N 425.320 2.314 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722624279 YZEZNNMCAKSZPK-GOSISDBHSA-N 426.477 2.257 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC(C)(C)C2)CCOC1 1722864742 WMIXBRBDOKSCNG-AVRDEDQJSA-N 434.585 2.025 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(C#N)o1 1722949879 UVTGTVGRZSDAAD-UHFFFAOYSA-N 448.531 2.200 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC=CCO1 1722981804 YAGCORFOTFSZSA-KSZLIROESA-N 444.536 2.424 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1723085543 BBKJFRBQIXVKQW-UHFFFAOYSA-N 440.548 2.424 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1723221428 MHCNTUPTVPCQRJ-ZREAOVPFSA-N 435.532 2.273 30 10 IEEE CC(C)SCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1723731878 IZXZLTSENFHAAK-UHFFFAOYSA-N 435.561 2.470 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(C2CC2)C1 1723886046 HJOOAUYHRREVEA-AEFFLSMTSA-N 442.589 2.170 30 10 IEEE C[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1726531610 GICDPVGHHMDLRC-FUHWJXTLSA-N 429.546 2.400 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccnc2-n2cccn2)CCOC1 1728752492 BNYZFNMLZFPQAW-JTSKRJEESA-N 436.520 2.298 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1Cc1ccn(C)n1 1730760540 VSTWPPIXLJYCSO-UHFFFAOYSA-N 447.341 2.194 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)NCC(F)F 1740647029 IFZYNTHZRHBLRF-UHFFFAOYSA-N 437.397 2.391 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@H]1C 1740802984 FKMCPMFGAYKMTD-LLVKDONJSA-N 427.734 2.466 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCN(CC)CC2)CC1 1740836366 OJONXXCEBFUCMB-XMMPIXPASA-N 446.640 2.360 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccc(C)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949754 RFTLYYZEGGEYGH-HSZRJFAPSA-N 425.533 2.387 30 10 IEEE CC(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1741112954 PRNQILFIPVOUSA-PKOBYXMFSA-N 426.521 2.290 30 10 IEEE CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C#N)o1 1741374093 DCVVHJQHAZCOPK-OAQYLSRUSA-N 441.580 2.146 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC[C@H]1C 1743177262 OYTRLRXGAAYTHM-IAGOWNOFSA-N 446.577 2.150 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1746523790 ATXHNLOBTPDSFD-AZUAARDMSA-N 437.548 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1748890674 SWVXSXZMIQWNOB-OFNKIYASSA-N 443.617 2.191 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)COC)CC1 1749014423 JKIJVZSGBIFVCZ-MRXNPFEDSA-N 445.514 2.395 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1749053734 KXYOHNHPDANFSE-FOIQADDNSA-N 434.566 2.178 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](COC)OC)CC1 1749288043 KRFNKLZUSYXXRR-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCO[C@H]2C)CC1 1749348716 WRKXKDURGRQBNX-YCRPNKLZSA-N 431.562 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(COC)CC1 1749726795 FCQBPAVHQJMTSP-UHFFFAOYSA-N 427.530 2.200 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CC1 1749921169 MNKSZDIGRMVYTD-UZLBHIALSA-N 438.532 2.289 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760186772 GIYXVDBEUWJEPQ-MSOLQXFVSA-N 431.562 2.068 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC1CCS(=O)(=O)CC1 1760213333 YPKMFOJUTVJUKH-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCOC[C@@H]1OC 1760214656 XCGDZNVHZBREDX-GCJKJVERSA-N 438.528 2.477 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1760217463 BXZFNNBXAZBMIN-DHIUTWEWSA-N 444.583 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2(O)CCC2)CC1 1760267339 JDCRGBSUVYAFJC-UHFFFAOYSA-N 442.951 2.264 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760283677 XFNMDJQXKNKUDV-KRWDZBQOSA-N 435.594 2.327 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760406816 MPEPVFULDUGOQN-DLBZAZTESA-N 449.625 2.293 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760519503 GPOVSJYJBZJJEA-TZIWHRDSSA-N 438.576 2.103 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCc1ccccc1 1762303243 UIYFSBDXUGLZIQ-IBGZPJMESA-N 426.521 2.142 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H]1CCOC1 1763743285 YBDVEVNBQYKJEF-FUHWJXTLSA-N 426.569 2.458 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1 1768659678 YQGZXLUQMWTFQS-UHFFFAOYSA-N 449.559 2.329 30 10 IEEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)(F)F)CCN2C1=O 1769055192 SUKGGZNQSKHHQQ-MRXNPFEDSA-N 449.437 2.299 30 10 IEEE N#Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2n1CCCC2 1850754077 XVXKCVYSAOJRJM-AWEZNQCLSA-N 431.493 2.270 30 10 IEEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nccn4nc5c(c34)CCCC5)C1)CC2 1850865926 CFDZTFZXWJVRDU-HNNXBMFYSA-N 430.516 2.004 30 10 IEEE N#Cc1ccnc(N2CCN(CCNC(=O)Nc3cccc(Br)c3)CC2)n1 1851482523 UWBYOBYZWHOSIC-UHFFFAOYSA-N 430.310 2.054 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Cl 1852300430 RGCLOIBHFSEZJS-OAHLLOKOSA-N 430.983 2.362 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3nc(C)[nH]cc3C#N)c2C)C1 1852624801 AGGCDULDMBOBAF-CQSZACIVSA-N 449.437 2.113 30 10 IEEE C=CCOC(=O)[C@H](CC(=O)NC1CCN(c2nccn3c(C)nnc23)CC1)c1ccccc1 1852649249 FSVNCZUFGYWREF-HXUWFJFHSA-N 448.527 2.421 30 10 IEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626440 VGOYRJLPNGYXIL-UHFFFAOYSA-N 441.543 2.255 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699887 USGBOWDHJMZGED-UHFFFAOYSA-N 445.506 2.399 30 10 IEEE C[C@@H]1CCCN(C(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)C1 1872636661 AJRXXPYZXRCKCP-GFCCVEGCSA-N 429.502 2.310 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2F)CC1=O 1874273629 IMMIZVVDTUDJOM-WQQCXNOLSA-N 436.488 2.130 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)ccc2OC)cc1 1874350292 FAEGPBUMDGQCHB-FSJBWODESA-N 441.513 2.354 30 10 IEEE C[C@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)n1nc(-c2cccs2)ccc1=O 1891843210 MKOGQDBCZNWWJA-CABCVRRESA-N 436.497 2.264 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060632664 DNGJRKRSIYVTBV-SJORKVTESA-N 432.326 2.295 30 10 IEEE C[C@H]1OCCO[C@H]1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172780138 MIMUISAPSBKVHR-DOMZBBRYSA-N 427.148 2.383 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)C1 2247533005 AXMGFUMMYQZVFI-SHYRYGCCSA-N 431.455 2.210 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247919343 QJNIZOVPGOTYRY-MRXNPFEDSA-N 432.351 2.092 30 10 IEEE CC1(C)OB(c2csc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2249492040 ZBWGSAQBCGFFJA-UHFFFAOYSA-N 432.273 2.330 30 10 IEEE CCC[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255541529 CUNCKSPMJMXVKC-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255806557 HESHSGNIHFRIAS-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256624960 ZITISQGQVPIOIP-CQSZACIVSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3cccc(B4OC(C)(C)C(C)(C)O4)n3)C[C@H]2C1 2266698832 BDKRAJAQENODDT-DLBZAZTESA-N 445.369 2.453 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)OC(C)(C)C)C1 2267154323 HKZZXFJQHTVBOU-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)n1 2267179785 VBMROYOYGOTASF-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)c2)OC1(C)C 2267280158 MIGRZANEKDPEQW-XMMPIXPASA-N 439.365 2.071 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2267494702 VEKOHIMBWFEPQJ-UHFFFAOYSA-N 439.365 2.126 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 2267498021 QWCBPYVUUUZAMR-JOCHJYFZSA-N 448.373 2.143 30 10 IEEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267510519 MEXDSQXLVZZNIP-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 2267539503 RARFBSPEJKZAMV-OAHLLOKOSA-N 448.373 2.189 30 10 IEEE CC1(C)OB(c2cc(N(Cc3ccccc3)CC3(O)CNC3)ccc2[N+](=O)[O-])OC1(C)C 2267783546 VXPRSIJRWWGJJY-UHFFFAOYSA-N 439.321 2.235 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268649511 DFQOGZJVVGMBFJ-HZPDHXFCSA-N 447.341 2.344 30 10 IEEE C[C@H](NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268652350 GEHIYHBVBKOQII-HDMKZQKVSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268784605 HCTCAARSTCXNLN-HUUCEWRRSA-N 447.341 2.080 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274222381 QHNXGRWDKHKPMQ-OAHLLOKOSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@H](O)C#Cc1ccc(Br)cc1 2278785684 IENYYKFFJRCQEI-HZPDHXFCSA-N 444.347 2.099 30 10 IEEE N#Cc1ccc(N2C[C@@H]3CN(C(=O)Cn4ccnc4)CC[C@]3(CO)C2)cc1C(F)(F)F 2297649227 SQXOYTVHJGSSGV-OXJNMPFZSA-N 433.434 2.121 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300301609 YKKHBGKLESBBBD-UHFFFAOYSA-N 429.351 2.173 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317256481 OTHFOZSUFNXJCQ-LSDHHAIUSA-N 436.289 2.226 30 10 IEEE COc1nc(N2CCC(NC(=O)C(F)(F)F)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2317502947 HYZGTIKGTMVABE-UHFFFAOYSA-N 429.248 2.037 30 10 IEEE Cc1ccsc1C=NNc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659691 RTRUWUGWSZEWJJ-JTQLQIEISA-N 431.337 2.181 30 10 IEEE COc1ccc(OCc2nnc(SCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2328427213 NOWZDMVMIDUJCN-UHFFFAOYSA-N 445.457 2.446 30 10 IEEE COc1ccccc1-c1nnc2ccc(OCCNC(=O)COc3ccc(C#N)cc3)nn12 13706270 WBRQQDVOQPVJJC-UHFFFAOYSA-N 444.451 2.246 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 20915691 DPPPVCRNXAUIIT-KCDOPAPYSA-N 437.529 2.429 30 10 IEEE CCCCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1c(N)n(CCCC)c(=O)[nH]c1=O 29758080 UTFJRLCLVLCFJV-HNNXBMFYSA-N 427.505 2.391 30 10 IEEE CC[C@@H](C/C(N)=N/O)NS(=O)(=O)c1cc(Br)ccc1Br 54163469 COUNBFCBAUAQEI-QMMMGPOBSA-N 429.134 2.405 30 10 IEEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(OC)cc3OC)n[nH]2)cn1 59311899 NTOICTYDLJSMCA-UFWORHAWSA-N 430.494 2.215 30 10 IEEE COC(=O)c1c(NC(=O)C[C@H]2S/C(=N\c3ncccn3)NC2=O)sc2c1CCC2 72435102 NOSKJHLRRLPBIE-LLVKDONJSA-N 431.499 2.061 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccc(F)cc2)cc1 102436575 GXAHLTACYSKRLY-AGGMBTAESA-N 439.487 2.161 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 460773078 JFLXIIWRAWYQFK-IBGZPJMESA-N 431.562 2.356 30 10 IEEE Cn1cc(-c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2C[C@@H]2CCCO2)cn1 461178934 KUBYQPYCPYIVMB-FQEVSTJZSA-N 432.532 2.446 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cncn1C 474210231 SZLDFFJGFOELFN-ZJSXRUAMSA-N 448.571 2.326 30 10 IEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cc1Cl 476577508 IQUKJJNJHYDFLE-RDJZCZTQSA-N 425.876 2.203 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)cc1 483560623 MJNJYKLNBXIUCR-UHFFFAOYSA-N 434.544 2.207 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCc2nnc3ccccn23)CC1 489519247 MZKWTBIYUJXYHH-UHFFFAOYSA-N 446.471 2.313 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 505648176 NXHKGFIDOWQRGI-SFHVURJKSA-N 447.491 2.267 30 10 IEEE N#Cc1ccc(OC2CCN(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 507784033 HPYOFGYYELDPLN-FQEVSTJZSA-N 445.585 2.360 30 10 IEEE CCCN(C(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 507818502 MEGOTJSWNMFGEU-IEBWSBKVSA-N 433.574 2.216 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 508847314 KIIVHOSWKDACJW-FUHWJXTLSA-N 443.548 2.314 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@H](CC)C1 508855854 ITHQRBKRGOPGJL-HXUWFJFHSA-N 440.596 2.185 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cn(C)nc1C(F)(F)F 537248563 LTXJDLWKHJISRB-HNNXBMFYSA-N 440.495 2.341 30 10 IEEE CN1CCN(CCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](c2ccccc2)C1 544840374 QJBGNUJLDDRAOG-HSZRJFAPSA-N 447.587 2.164 30 10 IEEE C=CCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(F)(F)Oc1ccccc1 573021210 OXWRUWKIMPLQHS-HXUWFJFHSA-N 446.458 2.407 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 610169165 FCEIKBXDUHXTRA-DLBZAZTESA-N 431.464 2.473 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 613156338 WGJSNYMESRKFPF-UHFFFAOYSA-N 429.444 2.230 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)C1=O 616089432 WQNJFAAHJZQXLI-HOIFWPIMSA-N 430.480 2.317 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)c1 726579260 DBIFBRYORBWBJF-UHFFFAOYSA-N 432.848 2.469 30 10 IEEE CCc1cnc(CCN2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(OC)nc2)s1 742213456 ISQLFRPZOJCDJD-AWEZNQCLSA-N 433.559 2.419 30 10 IEEE CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)c(C)c2)CC1 747495338 LVKJSBSLAIPHAK-UHFFFAOYSA-N 435.528 2.272 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 749552565 VLWONTYYSFUVKL-RUGGUXRKSA-N 427.501 2.055 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760409680 RXHMPAVSJKQVPD-IBGZPJMESA-N 430.530 2.135 30 10 IEEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767870872 BRABUVOMPGXNCH-OAHLLOKOSA-N 429.567 2.198 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCS(=O)(=O)C1 774218132 HFTBQPDNJPJWQB-MSOLQXFVSA-N 443.491 2.112 30 10 IEEE C#CCN(C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 774235381 RVHUOEBMYXQWDO-ZFWWWQNUSA-N 429.336 2.048 30 10 IEEE C[C@H](/N=C1/S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O)c1cccs1 774297470 NBGJAEDIAYXOLS-RSQHXVMDSA-N 440.635 2.338 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(OC)CCC2)c1 779753679 DNJDMJSEGJEYCH-IBGZPJMESA-N 442.585 2.236 30 10 IEEE N#Cc1ccc(N2CC[C@H](OC(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)C2=O)cc1 780255056 NXVSBMCXZWYWAZ-GBXCKJPGSA-N 449.463 2.292 30 10 IEEE CCN1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1=O 801671496 QQKLQVMIJYORHG-USMQXWLVSA-N 435.550 2.022 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(Cl)cc1 811962981 DOMFBABNNQCIQV-LJQANCHMSA-N 440.935 2.173 30 10 IEEE C#C[C@H](c1ccc(F)cc1)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 812221167 GTUUEGJFFZPVMX-MSOLQXFVSA-N 438.484 2.367 30 10 IEEE Cc1oc(NC(=O)[C@H](C)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1C 921192918 RUWNXJQFEFVNHI-HNNXBMFYSA-N 447.536 2.106 30 10 IEEE C#CCN1CCC(C(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)CC1 1136954568 VGODYYLQMYYJPH-GOSISDBHSA-N 431.964 2.432 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1142860548 GOSJBSQCLRMFED-UONOGXRCSA-N 444.937 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1143083911 IRLOUQFDCLGKHW-UHFFFAOYSA-N 439.509 2.500 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Br)cc2C#N)s1 1266782746 REMFIICTUCYJQQ-UHFFFAOYSA-N 428.333 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1286287717 CNEZCSGLIUTOAI-FYSMJZIKSA-N 447.543 2.001 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1286347128 IEYJGKNITLNYAF-UHFFFAOYSA-N 446.603 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)OCCO2 1286469770 YXCMGOHPQWNFFT-UHFFFAOYSA-N 436.516 2.045 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC=CCO2)CC1 1286470202 USVLCEWDWQFRPX-OAQYLSRUSA-N 434.544 2.248 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCO[C@H](C)C2)C1 1286807266 ADFNRSUAFKYPHI-RTBURBONSA-N 427.553 2.017 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286964499 BNCGOCUQBNPNKB-RDJZCZTQSA-N 443.552 2.392 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CCN1CCOC 1293559949 GSVCSAOFDDAVNM-NRFANRHFSA-N 434.548 2.146 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1295174470 OWGGPTFPLKEOCA-QFBILLFUSA-N 429.546 2.257 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCCC1 1297947214 AIILHPQHOAHOLJ-IBGZPJMESA-N 449.559 2.167 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1298066894 ICABZCZZBGGNPY-SFHVURJKSA-N 430.578 2.028 30 10 IEEE CN(c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1298131376 VISOBOMDLAXBEJ-MXLIYFDZSA-N 442.907 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1300322466 UBGHIUJBLVNNQX-MRXNPFEDSA-N 432.463 2.478 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1300353386 JMROXCRFFIHNLX-RTBURBONSA-N 426.565 2.455 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCc2ccccc21 1300509645 QYLRGNQYPIFPFC-PKOBYXMFSA-N 425.558 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@@H]2CCOC2)cn1 1300587980 ZKFWXSQRSRWGOM-LJQANCHMSA-N 449.584 2.497 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC[C@H]1COCCO1 1300641707 IYWIEDJYNASCQX-IBGZPJMESA-N 429.496 2.001 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1cc(F)ccc1N1CCOCC1 1300665362 ZKNOPDHNXUXLEG-UHFFFAOYSA-N 438.507 2.383 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)cc1OC 1300756338 KDPSJQRFQNAAOA-KRWDZBQOSA-N 429.546 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)C1 1300870042 PEOSGLMLVIDSOA-QAPCUYQASA-N 433.459 2.464 30 10 IEEE COc1ncc(Br)cc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1300940961 IVCPRTOLBXITDW-AWEZNQCLSA-N 429.274 2.394 30 10 IEEE C=C(Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1301007086 BUVNLGHWWNFTTR-OAQYLSRUSA-N 438.576 2.491 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1301047246 DOSHMAJPXWOQEO-UHFFFAOYSA-N 431.972 2.007 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1301500945 RQCWDQHPRFFAPK-MSOLQXFVSA-N 441.532 2.443 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(CCC)CC1 1301508227 GYJLZKUDDBGDGT-UHFFFAOYSA-N 431.610 2.247 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccccc1OC 1301510204 UQRPQSSXBWFJJB-SFHVURJKSA-N 438.532 2.053 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@H](C)[C@H]1C 1301568623 VFKFLRVHSXHSQK-HUUCEWRRSA-N 443.639 2.128 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc2ccccc2o1 1301568756 XNIKJERFWNLKBN-UHFFFAOYSA-N 445.545 2.400 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1301997513 YSJYGJRTGXXWBB-IRXDYDNUSA-N 445.520 2.289 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1302499397 PIQFBNVVKPEUKX-UHFFFAOYSA-N 446.577 2.439 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC4(CC3)CNC(=O)C4)n2CCOCC(F)F)cc1 1302989847 VCIHRWKSMQRJSD-UHFFFAOYSA-N 430.459 2.205 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCCC1=O 1305114775 GPSOOHLLNPHEFK-SFHVURJKSA-N 449.559 2.276 30 10 IEEE C[C@H](NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1312479639 LQTIIQIZBMICAP-KKSFZXQISA-N 442.541 2.246 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1313983344 GNDNZNPUIFQSCF-WZONZLPQSA-N 435.532 2.157 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1320192694 RRNUQIHQMACFHE-CVDCTZTESA-N 433.508 2.303 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCNc1nccc(C(F)(F)F)n1 1359022138 OLJMHUCRAWUTMJ-UHFFFAOYSA-N 448.453 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1359095065 JQLJQFPXTCQTTC-DYESRHJHSA-N 443.523 2.360 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359120972 OTJQELQTCNFVDN-INIZCTEOSA-N 430.459 2.046 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1359282602 IVODBRPAZSARSL-KRWDZBQOSA-N 446.556 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](OCC)C1 1359294025 IIPLECUGWJBDLT-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359296827 VURSPMYYUNPLLG-DOTOQJQBSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1359299593 IZQVGRJWFNKBMI-ICSRJNTNSA-N 425.533 2.361 30 10 IEEE C#CCN(C(=O)[C@@]1(F)CCS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1435176726 XANFGLUJLKONNW-RHSMWYFYSA-N 430.295 2.261 30 10 IEEE COC(=O)[C@](C)(Cn1cccn1)NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1460915721 ONJRSXXJSHLUQY-QKKBWIMNSA-N 429.546 2.491 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(CC(F)(F)F)CC2)s1 1466896456 CRNXVZLGGMQRQJ-UHFFFAOYSA-N 439.525 2.145 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)s1 1467674279 QRLSJTKBFFYULT-SFHVURJKSA-N 433.599 2.393 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCN3C[C@@H]2C)n1Cc1ccc(C#N)o1 1496788743 PFBKRFABGWXPIN-DOTOQJQBSA-N 425.537 2.382 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1502059253 CLVKUDWRQNGMAT-XUTLUUPISA-N 438.536 2.222 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2noc(CC)n2)CCOC1 1502676226 GENHMLMISFFKPV-NRFANRHFSA-N 429.525 2.248 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1507516834 MZEOWQMUGQVMSI-GHMZBOCLSA-N 446.396 2.219 30 10 IEEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1507570035 BGTKJFPYLLLWKJ-UHFFFAOYSA-N 432.322 2.359 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507623042 OHGKYVAOLKGZIF-VQTJNVASSA-N 435.638 2.396 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1507769954 DWZZJJHXJXIEMA-XMMPIXPASA-N 447.543 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1507795158 CZONBQAXVKLETO-BZSNNMDCSA-N 433.578 2.291 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 1507835874 OOROORCQAPEFSG-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1507842995 PNGVMSBXVXNSQP-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507885561 GDOKSSXRPWFHSP-SFHVURJKSA-N 445.589 2.315 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1508000013 RPUYEIFTEPXBAQ-XXBNENTESA-N 436.516 2.099 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCOC1 1508041729 SEXVOFQECCSPRA-KRWDZBQOSA-N 438.532 2.257 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1517016750 BONPORKYEWELJN-FRQCXROJSA-N 430.940 2.467 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1517039217 UKOFKYFONQLKQY-MSOLQXFVSA-N 429.546 2.255 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539076707 VAYCOSZZQLJGOJ-NFBKMPQASA-N 449.603 2.056 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1539399256 IODRFQDTZHPPQK-UHFFFAOYSA-N 440.592 2.066 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(COC)CCCC2)CC1 1539462596 JMBLSSHDVXHYOU-SFTDATJTSA-N 445.608 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC1 1539477768 XZEXJJNJXZGTGC-SJORKVTESA-N 448.518 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@H](C)C2)CC1 1539480624 CUJKJXDYLYVRCN-HBFSDRIKSA-N 429.565 2.301 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O 1539551874 BRZSTHATAPTHCV-XMMPIXPASA-N 447.543 2.193 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1539736042 XKYRWQNZDQNIPH-UHFFFAOYSA-N 446.983 2.449 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1 1539898611 WEQMEJRVHBPQPU-UHFFFAOYSA-N 444.561 2.070 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1539978206 YOZBFWFJKDCRSO-UHFFFAOYSA-N 427.553 2.439 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1539990165 FSIKNCGWVKGQBU-SFHVURJKSA-N 435.536 2.382 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4sccc34)CC2)c1 1540763873 AIVCEZXRLZYELZ-UHFFFAOYSA-N 440.550 2.451 30 10 IEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 1540877421 UOQNQKFRXZNETP-LJQANCHMSA-N 438.532 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1540901465 DXVZLTATIYZHOV-UHFFFAOYSA-N 431.562 2.092 30 10 IEEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS(=O)(=O)CC1 1540919764 WAVLPWWMOKHHOR-UHFFFAOYSA-N 431.587 2.435 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1541997011 VHUOHKQACVVPHZ-HXUWFJFHSA-N 434.447 2.060 30 10 IEEE Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cnn1C 1542111983 DTDWQYQXTDJUFB-MRXNPFEDSA-N 448.579 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1543172075 XZYBGRWOMPQILT-AWEZNQCLSA-N 439.509 2.500 30 10 IEEE C[C@@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1545123713 TZQPTPZQUMQFFR-QRWLVFNGSA-N 429.456 2.016 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1545713233 OLDQAPVXTZVXPR-SFHVURJKSA-N 447.543 2.495 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@H]1CCCO1 1546529172 MPFUFFQHTGKLDY-LJQANCHMSA-N 425.537 2.019 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Cc3cccc(F)c3)[C@H](C(N)=O)C2)cc1C(F)(F)F 1548368078 QDNGEJIINIJIFT-SFHVURJKSA-N 434.393 2.461 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCCCS(C)(=O)=O 1554162814 HPINFTNVIDRARL-UHFFFAOYSA-N 441.561 2.402 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1555328374 NLPVNLSVWKRVFN-QGZVFWFLSA-N 436.472 2.389 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1555939602 WGYXOSNPWWOSNS-MJGOQNOKSA-N 440.573 2.444 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 1559231119 JJEVSHHVEJZPPD-LJQANCHMSA-N 430.486 2.421 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)c1 1584865001 KRJIAJWEGRNDAP-UHFFFAOYSA-N 448.585 2.267 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCCN2CCOC2=O)c1 1587692594 GLRJCWNNDHDZTB-UHFFFAOYSA-N 438.532 2.375 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)CN1CCN(CC)CC1 1587945644 NGGUVVSZLJEBDG-IBGZPJMESA-N 440.592 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](SC)C(C)(C)C)CC1 1588924235 XZIGZAAOHJRNQA-SFHVURJKSA-N 441.605 2.479 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594819629 HUVFGDFFKLPZAI-UHFFFAOYSA-N 427.615 2.320 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1595545264 UCANIURHQYBHIL-WOJBJXKFSA-N 441.532 2.106 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1597573344 XYQIJSZLHVPMOI-HXUWFJFHSA-N 430.488 2.482 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1606701967 UBRKBLRKOIGFJM-QYZOEREBSA-N 435.532 2.208 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)O 1619910172 YIYBQTUHHRGRJJ-UHFFFAOYSA-N 425.331 2.183 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)C[C@H]1OC 1620144364 DLLXXPLPXGQFLN-PCCBWWKXSA-N 441.532 2.252 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1623659105 KOPBVTJGJDIMRW-KBAYOESNSA-N 442.375 2.197 30 10 IEEE C=CCc1cc(C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 1625113535 YQYQLWBEJJPWDE-UHFFFAOYSA-N 447.557 2.288 30 10 IEEE C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1C(=O)OC(C)(C)C 1626995484 PQAQNNVPRBBAFY-QAPCUYQASA-N 435.546 2.461 30 10 IEEE C#C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H]1CCCO1 1633398425 WSXDOQCESNRZSJ-HZPDHXFCSA-N 425.526 2.045 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)C1 1634109298 YUOTUMAKKPMFDJ-GVRJEKJASA-N 435.525 2.052 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)c1ccc(C#N)cc1 1639347844 RUSOTGOPPZLQDZ-UHFFFAOYSA-N 430.486 2.181 30 10 IEEE CCOC(=O)CON=C(C(=O)NC/C=C\c1ccc(Br)cc1)c1cc[nH]n1 1641339766 ZSXIAZYSMCXJAI-ADEKUQHXSA-N 435.278 2.286 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)c3cncc(Br)c3)cc2C1=O 1643489520 GLHJFVDUEISPGO-UHFFFAOYSA-N 428.242 2.239 30 10 IEEE C=CCn1c(SCC(=O)N[C@H](CO)CC2OCCO2)nnc1-c1ccc(Cl)cc1 1643835957 VFJFVHSIBFJTLC-HNNXBMFYSA-N 438.937 2.117 30 10 IEEE CCOC(=O)Cc1csc(NC(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)n1 1648066542 AZPDCSDBDZVKLH-UHFFFAOYSA-N 431.493 2.020 30 10 IEEE C[C@H](CC(=O)Nc1ccc([C@H](C)CC(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1652889443 ZGJSSNHYERKJSL-ZIAGYGMSSA-N 428.514 2.121 30 10 IEEE N#C[C@]12CN([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1656343559 NNZZRVBISTVQFB-YQVWRLOYSA-N 441.475 2.067 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2oc3ccccc3c2Br)CC1 1663574107 LAJZXPLSQCUZFN-UHFFFAOYSA-N 425.304 2.345 30 10 IEEE C=CCC[C@@H](NC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)c1ccc(C(F)(F)F)cc1 1679303667 AWIXRDPWGVIWKU-JKSUJKDBSA-N 432.468 2.257 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682021434 GMGPWMBOSICZJR-QYZOEREBSA-N 426.517 2.469 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689971319 XEQPFCVPZJUVLH-QGZVFWFLSA-N 437.577 2.204 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689984401 OSFPKVCFBVGNPG-MOPGFXCFSA-N 434.537 2.119 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCNC(=O)C(C)C 1690004805 GZTQMINQWVLSDL-UHFFFAOYSA-N 445.365 2.281 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 1690460178 BMRPOXZKDLVUKM-MRXNPFEDSA-N 429.550 2.323 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccco1 1690668737 HLSUSZFWEBOCKJ-UHFFFAOYSA-N 447.499 2.207 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)c(OC)c2)C1 1690700271 PWOUXGHHAYLJIE-RTBURBONSA-N 446.573 2.327 30 10 IEEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1694488179 AUINGNQCBJSAMA-SJLPKXTDSA-N 430.578 2.385 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1694547012 ARVRHCKHUSJBTK-NRFANRHFSA-N 446.577 2.099 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC[C@H]1C 1696328377 DHSDKOKOYYHVRE-SJLPKXTDSA-N 426.569 2.491 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1705503484 XBGPOBAYABUWRG-INIZCTEOSA-N 429.546 2.400 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CCOCC1 1705552062 VKHRTCJXDDSTII-GOSISDBHSA-N 433.553 2.473 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2ccnc2)c(F)c1 1705588209 ZNYMCVDFWAWOLV-UGKGYDQZSA-N 448.502 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCCC1 1705598984 SUPMCZZXBQCLFP-LJQANCHMSA-N 432.590 2.240 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(N)=O)C1 1705698554 VZTWGTMHNFVPHG-XEZPLFJOSA-N 449.353 2.329 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705832081 MFTOJLFBZJLHDT-LJQANCHMSA-N 436.516 2.132 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1706655790 BUNMIXYQSATNON-IBGZPJMESA-N 446.577 2.179 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722359758 ARADWHJNJUROSC-QGZVFWFLSA-N 438.557 2.273 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722366399 INYQQVLBBJZKES-QGZVFWFLSA-N 434.537 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCOCCN(C)C 1722378941 CUZSPDLIFQNARC-UHFFFAOYSA-N 436.379 2.420 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722483006 GILPRKHJYPYBRA-CQSZACIVSA-N 434.298 2.462 30 10 IEEE C=CCCCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722601810 WKWYLBNIPGCQGN-IXDOHACOSA-N 439.582 2.069 30 10 IEEE C=CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722645382 KRTORQUQDBCLFN-MRXNPFEDSA-N 431.562 2.390 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722701049 DOWADAAXUAZYPS-JOCHJYFZSA-N 441.532 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C)c2ccccc2C1 1722728096 NYYFEFFKCILOLK-IBGZPJMESA-N 445.589 2.229 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCO[C@H]1CCOC1 1729397850 ZVFMGLKRNISGRY-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(COC)CCCCC1 1730955590 KCLCBNQBBJKIRY-OTWHNJEPSA-N 433.553 2.328 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1731158385 PTXRBKNVJINQJO-ZJYNUGOYSA-N 428.537 2.466 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCOCC(F)F)c1 1731180777 LHHBSEGGMMIOGD-ROUUACIJSA-N 433.459 2.483 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC(C)C 1740557956 POTILDSLBWDXKC-QGZVFWFLSA-N 428.562 2.067 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740566195 DATKGRAGOBFUMO-LJQANCHMSA-N 449.559 2.472 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740576272 ZSUZTPHFFWPLKN-YRVHBCJASA-N 448.614 2.358 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740595787 YJVPHQZCFNMDJY-UHFFFAOYSA-N 442.589 2.424 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740597376 NIAQRQRILQJEFX-UHFFFAOYSA-N 428.512 2.128 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)C1CC1 1740613493 JPDMHJQWPVRVRH-UHFFFAOYSA-N 432.322 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N(C)C 1740655657 FFMOAOAQTPVDHO-PMACEKPBSA-N 433.622 2.010 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740813838 IHGITNGLBNVSQM-HNNXBMFYSA-N 434.997 2.472 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2)C1 1740982653 VPJVFFWBRSKKHV-PKOBYXMFSA-N 434.537 2.343 30 10 IEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@]1(C)COCCO1 1741645307 IVJWCLMVSZDBNZ-HSZRJFAPSA-N 438.532 2.262 30 10 IEEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)o1 1742194007 AJRKFPAOJLHZKN-JTSKRJEESA-N 443.527 2.231 30 10 IEEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1745381923 UOJOANDLEAFJSU-LJQANCHMSA-N 446.577 2.309 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCCO 1748005931 GCARGWCBGQKCBH-HNNXBMFYSA-N 437.342 2.328 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCS1(=O)=O 1748775722 SBPYJRQFFVCHST-HNNXBMFYSA-N 433.603 2.236 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1748791606 XICYERWHDBEBPI-GFCCVEGCSA-N 443.392 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748812533 VSAKDWDRUAQIPH-GOEBONIOSA-N 444.586 2.469 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748818098 VOSRBEHCUQYWHR-VQTJNVASSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC(F)F)c1 1748830421 VVLHOFSUYDEQHQ-QFIPXVFZSA-N 445.470 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CC(OCC)C1 1748891653 CKZIMSMPNAQJGD-RUPGZQMFSA-N 436.512 2.184 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1([S@](C)=O)CC1 1748944228 QAEDXUGSPAVZGT-PMERELPUSA-N 426.521 2.369 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749090113 IUOHXOSCXABPNP-QGZVFWFLSA-N 435.282 2.464 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1749590644 CKFIOIQLDKFGHG-HXUWFJFHSA-N 448.527 2.465 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCOC1 1749597411 FVEJOJXOKLJWAR-QGZVFWFLSA-N 448.593 2.304 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749634776 KGZAFJYMDNXFPA-UZLBHIALSA-N 443.621 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)C)CC1 1749655395 JTZKKCFZUXGLST-UHFFFAOYSA-N 427.509 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749724539 KYWGDOWDCCUXIB-XLIONFOSSA-N 448.589 2.348 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749760082 BHXZQKPAVRJEMQ-GOSISDBHSA-N 444.609 2.099 30 10 IEEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC(F)F)CC1 1750386185 BDFVYUQNJIMLLS-UHFFFAOYSA-N 445.474 2.228 30 10 IEEE CC1(C)CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1751289654 DVDRLFMHHQXABB-SFHVURJKSA-N 434.610 2.042 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752726058 HQVYWKVQOGORBV-PZRWXPMUSA-N 428.537 2.325 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760188779 MSHWOFNRRQQZLY-QGZVFWFLSA-N 442.570 2.034 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCCNS(C)(=O)=O 1760297133 IULULDTWHRHZNV-JOCHJYFZSA-N 445.589 2.003 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1760523612 CPZIGOQORPCCST-LJQANCHMSA-N 446.596 2.297 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)C1 1760537844 QUUNRUMLYJKMSM-KNQAVFIVSA-N 430.553 2.190 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCO1 1761304060 LRPKOFHERKHYSK-NHCUHLMSSA-N 441.532 2.252 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(OC)CCOC1 1761872143 GBDDLDUADVXVNO-VGOFRKELSA-N 425.537 2.190 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1763948845 CTOSVLLDEUWWHD-GOSISDBHSA-N 447.543 2.495 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1766759260 PCZXAVFEGGHHJS-IBGZPJMESA-N 432.532 2.491 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1772564547 JCRBZTCPWIVCRA-GJZGRUSLSA-N 427.571 2.106 30 10 IEEE N#Cc1ccc([C@H](CC(=O)N2CC(Cn3cncn3)C2)N2Cc3ccccc3C2=O)cc1 1851374267 MSLGBPNVVFXBMF-QFIPXVFZSA-N 426.480 2.396 30 10 IEEE Cc1c(C(=O)N2CCc3[nH]nc(C#N)c3C2)nnn1Cc1ccc(Br)cc1 1853320105 VHZZJCSWDKCLMD-UHFFFAOYSA-N 426.278 2.191 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4csc(C)n4)CC3)CC2=O)CC1=O 1853643480 NWERMVQFTFUXSH-ROUUACIJSA-N 430.574 2.073 30 10 IEEE CC#CCN(CC(=O)Nc1ncc(I)cn1)C(=O)OC(C)(C)C 1900654805 LQRXSDXVSKALEP-UHFFFAOYSA-N 430.246 2.280 30 10 IEEE O=C(N[C@@H](CS)C(=O)O)c1cc(I)ccc1Br 1995669506 HRLJMJGSPLGHGC-QMMMGPOBSA-N 430.061 2.167 30 10 IEEE C=CCC1(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2014235990 NOUZFRMFPWOVBV-HZPDHXFCSA-N 439.553 2.286 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626549 YBOUVJBOJIVIGK-RHSMWYFYSA-N 434.342 2.223 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060635523 MQWNTBDIEBTUDI-QGZVFWFLSA-N 435.374 2.376 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124532005 HWSAFPJFGVEQSK-NHAGDIPZSA-N 447.345 2.004 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247860197 SZLVWFFXGHTHSI-INIZCTEOSA-N 432.351 2.092 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544842 GRDIJPAFDOQGPZ-DGCLKSJQSA-N 430.232 2.250 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1 2255817751 ANCOPPZVRRRJHL-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255837405 OWPJLVJDJOEULV-UHFFFAOYSA-N 443.740 2.423 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255838181 BOQQJXOQJAWLAK-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256598061 MNUUDEBRAGNFPX-AWEZNQCLSA-N 449.382 2.482 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2256925009 QVWKLOQXCBQJRO-QGZVFWFLSA-N 428.294 2.104 30 10 IEEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267093828 YHZPSWMSRORTRD-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267123718 FMORTDMNRFMVAM-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2267155064 OHNXVMBYMKMFFR-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267182970 KMCMNYJLISKHOJ-CABCVRRESA-N 448.373 2.237 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267186025 DLONQCOFQVLBMR-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479230 JDZQFMRIBDKTRD-HUUCEWRRSA-N 449.332 2.458 30 10 IEEE CCn1cc(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267487873 FISXBACYLUDZGK-MOPGFXCFSA-N 436.365 2.301 30 10 IEEE Cn1nc(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267538810 WUQAKVXVPJFBTE-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC1([C@@H]2CCCN(S(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282867498 ZVESNNQYSFSQKB-CQSZACIVSA-N 443.396 2.211 30 10 IEEE CC#CCN(CC(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2300579637 BNZPDBXWFBEUGX-QHCPKHFHSA-N 429.517 2.092 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2317606107 RPAPJNAUEATEBR-KRWDZBQOSA-N 434.342 2.255 30 10 IEEE CCOc1cc(C=Nn2cnnc2SCC(=O)OC)ccc1OCC(=O)N(CC)CC 2321295732 RGSQWFBRDQZTED-UHFFFAOYSA-N 449.533 2.071 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2337179922 VXYQGPFAMZUEQE-OALUTQOASA-N 436.365 2.066 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H](NC(=O)OC(C)(C)C)C1 2337293244 ZWYJDWNWLOUFJG-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 409490939 JQSFGCOSQRVVAX-LBPRGKRZSA-N 425.864 2.402 30 10 IEEE COc1ccc([C@@H](NC(=O)[C@H](C)n2cnc(C#N)n2)c2cccc(S(C)(=O)=O)c2)cc1 409744286 JIEKYMALSHQFJE-VBKZILBWSA-N 439.497 2.029 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 426844567 CYNIHGGDJBJCSZ-OAHLLOKOSA-N 439.379 2.225 30 10 IEEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C)c1=O 461334667 XFSZCEZDZRHYDQ-UHFFFAOYSA-N 449.507 2.137 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)cn1 462108287 LOTQHGSYARFZBO-FQEVSTJZSA-N 431.500 2.204 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 465182183 GVCMUBARJUORGM-GOSISDBHSA-N 447.543 2.121 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@](C)(CC(=O)OC)c2cccc(F)c2)c1 474366743 CMGARSZPWGGRTN-OAQYLSRUSA-N 434.489 2.498 30 10 IEEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 475557439 BJPWGBNAVDDSJA-UHFFFAOYSA-N 436.578 2.265 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 476771059 AHJWUCAHDBLCRQ-NQIIRXRSSA-N 449.511 2.165 30 10 IEEE C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482695119 PTAINCJOCQMGRP-QGZVFWFLSA-N 430.512 2.356 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(C[C@H]3CCCO3)c3ccncc3)C2=O)cc1 511096361 REEQQSPQNZDXDM-UXHICEINSA-N 433.468 2.370 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CC(C)C 511672554 DKPODPHOQLVSLO-UHFFFAOYSA-N 425.535 2.417 30 10 IEEE Cc1cc2c(cc1NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)OCO2 542838452 AGLKYKPBLQFSCX-UHFFFAOYSA-N 428.470 2.134 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 543233814 NRJYCMMNXNFTCU-UHFFFAOYSA-N 433.468 2.083 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CCC(=O)N2C)cc1 545463108 LHHABELULVEQRU-REWPJTCUSA-N 433.512 2.220 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2cccc(C#N)n2)CC1 546214954 ZGHPCUQQCSZRPP-UHFFFAOYSA-N 435.532 2.041 30 10 IEEE CCc1ccc(C(=O)NCc2ccc(C#N)c(OC)c2)cc1S(=O)(=O)N1CCOCC1 555074278 ROOAGXBZVZBWCV-UHFFFAOYSA-N 443.525 2.080 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 558979654 RCVGTLFXKJGRSI-OAQYLSRUSA-N 443.548 2.282 30 10 IEEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 566592329 NFXJRMBZDVBWBV-ICSRJNTNSA-N 432.933 2.052 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)nc1 585246443 TUJFAOOGRYLSJZ-UHFFFAOYSA-N 426.498 2.031 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N(CCN2CCOCC2)Cc2cccc(C#N)c2)c1 586139098 RJBIDAUSYCCMPO-UHFFFAOYSA-N 445.541 2.099 30 10 IEEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c(C)c1 603799774 SZRZMOOSXACMIS-GOSISDBHSA-N 439.581 2.042 30 10 IEEE C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1cccc(C#N)c1 610386799 MLAYCMUJNORELV-BEFAXECRSA-N 441.509 2.327 30 10 IEEE COc1cc2c(cc1OC)CCN(CN1CC(=O)N(Cc3ccccc3C#N)C1=O)CC2 726586114 DUQTVTYQJPYGBY-UHFFFAOYSA-N 434.496 2.398 30 10 IEEE C#CCCn1c(-c2cc(C(=O)OC)co2)csc1=NCc1ccc(S(N)(=O)=O)cc1 733198320 VHDGMVMSTGFKRA-UHFFFAOYSA-N 445.522 2.368 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCc2c(C)nn(C)c2C)C1=O 735225073 GNAMXLNOIPWNEQ-SFHVURJKSA-N 443.529 2.076 30 10 IEEE CC(C)N1C(=O)CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1(C)C 743107662 AIFQANNRGSVYCS-PTGBLXJZSA-N 449.577 2.363 30 10 IEEE CN(C)C1CCN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2F)CC1 746019072 DLCHLKNZAWMBFQ-QURGRASLSA-N 429.496 2.211 30 10 IEEE COC(=O)[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 751623867 SOOBSVOIQZGDCA-HXUWFJFHSA-N 442.493 2.416 30 10 IEEE C#CCCN1CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 755282543 PPTUGQVWNOOKQD-HNNXBMFYSA-N 427.364 2.026 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Cl)c1 758646386 WVNGIIYLZBPKSA-JSGCOSHPSA-N 443.909 2.164 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C)cc2C)C1 760301747 MCGYBHYRTPEAPT-RDJZCZTQSA-N 431.562 2.175 30 10 IEEE CS(=O)(=O)N1C/C(=C\c2cccc3nccn23)C(=O)/C(=C/c2cccc3nccn23)C1 769611180 WRAQVVQFLZFQOO-UNZYHPAISA-N 433.493 2.293 30 10 IEEE COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)C2=O)c1 774889388 TTXAZICNALADSR-JOCHJYFZSA-N 433.424 2.371 30 10 IEEE C#CCOCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782883040 GEALIEHJZGARDB-AWEZNQCLSA-N 431.411 2.476 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)s1 788067407 NYVSADZEJYOKRM-KRWDZBQOSA-N 435.527 2.280 30 10 IEEE CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)c1 796788923 UAMVYVJMASAFDX-UHFFFAOYSA-N 438.259 2.011 30 10 IEEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@@H]1COCCN1CC(F)(F)F 797164077 RBDHUSSBSMOZCE-FQEVSTJZSA-N 440.462 2.067 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 800354155 CRRCXMPSFUSQOV-SFHVURJKSA-N 426.542 2.151 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 803921040 CHGSWVYHAIUDJS-DHSIGJKJSA-N 430.436 2.033 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 812079811 OPTBFWKFHZZUEN-SFHVURJKSA-N 448.531 2.297 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 813736651 QMRPEAANTCFZMF-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE CN=c1scc(-c2ccc(NS(C)(=O)=O)cc2)n1N=Cc1cnn(CC(F)F)c1 814186247 ARGOMTSWCYZQPN-UHFFFAOYSA-N 440.501 2.462 30 10 IEEE Cc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 916178961 YGBLYNAONLWUHS-UHFFFAOYSA-N 427.511 2.186 30 10 IEEE C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 916876567 KBDYICQMDAKJNQ-RAXLEYEMSA-N 446.459 2.499 30 10 IEEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 920113987 WIEQYAHVZWYAKQ-AUUYWEPGSA-N 427.407 2.352 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)ccc1F 1131099060 VAFQOFGTDWJLCV-KRWDZBQOSA-N 439.553 2.005 30 10 IEEE CCc1ccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1S(N)(=O)=O 1136443830 PXKBCZYKFCQVQN-UHFFFAOYSA-N 435.546 2.485 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1145015741 BDOQKAPVFNHYIC-HNNXBMFYSA-N 426.244 2.187 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)ccc1OC 1153814867 BDCMJDQFLJXSLY-UHFFFAOYSA-N 438.355 2.302 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCCOC(C)(C)C)CC2)ccc1F 1176011298 UISWUFATFHLSKC-UHFFFAOYSA-N 441.569 2.253 30 10 IEEE COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 1176504304 CYVGTWSZLCTJJG-INIZCTEOSA-N 430.461 2.308 30 10 IEEE C=CCCc1ccccc1NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1204057564 ZGDSMTSQZNTSOR-UHFFFAOYSA-N 425.493 2.103 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc2ccccc12 1286457915 XCOBGNMQQBCGPJ-HNNXBMFYSA-N 447.586 2.237 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286510203 LLIBUHQWBWWJNP-QGZVFWFLSA-N 441.557 2.043 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCOCC 1286553520 FGUSCYWXMDBOTR-SQNIBIBYSA-N 426.583 2.024 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOCc2ccc(OC)cc2)CC1 1286637596 IEDZLSLVDKSGEI-KRWDZBQOSA-N 449.577 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1286820971 WRNWBZVLNSYBJH-LJQANCHMSA-N 429.546 2.281 30 10 IEEE COc1ccc([C@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cc1 1287423398 HRSNLVNXEPXYIW-LEWJYISDSA-N 448.479 2.372 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)c1 1293767228 QQWQUGRUYWYISW-UHFFFAOYSA-N 441.488 2.253 30 10 IEEE CCN1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CC[C@@](F)(C#N)C3)cn2)CC1 1296136634 JGEFPAINTZTDAX-JOCHJYFZSA-N 426.544 2.429 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1298344866 YEUGVAFPTOEGOP-XMSQKQJNSA-N 426.496 2.273 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1300339999 UNBDOBIQRXXHQK-QGZVFWFLSA-N 448.568 2.158 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300504912 VZRJNDALDCDFMM-CVEARBPZSA-N 428.624 2.219 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1300843072 ANNUKTHLMPUBMN-BBRMVZONSA-N 437.386 2.448 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1301187379 CRTWVNSMCGVNMA-UHFFFAOYSA-N 429.484 2.142 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1301406945 ZGMGXCYYFTZPMN-QGZVFWFLSA-N 448.568 2.291 30 10 IEEE C[C@]1(c2cccc(CNCc3cn(CCC#N)nc3-c3ccncc3)c2)NC(=O)NC1=O 1326709662 OYXMUVVOPNUGPZ-HSZRJFAPSA-N 429.484 2.203 30 10 IEEE C[C@@]1(c2cccc(CNCc3cn(CCC#N)nc3-c3ccncc3)c2)NC(=O)NC1=O 1326709663 OYXMUVVOPNUGPZ-QHCPKHFHSA-N 429.484 2.203 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1359001330 QPOWONZLWTZCQV-MRXNPFEDSA-N 429.496 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359094397 AROKDGUHBJUGOE-LQWHRVPQSA-N 443.523 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1nccs1 1359293347 NUHQLVPYNGBODK-UHFFFAOYSA-N 436.339 2.431 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1359298228 RQJXPAVARCXJRQ-HXUWFJFHSA-N 446.559 2.138 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](OC)C1 1359334229 XQQBTOYUTGPHTH-GOSISDBHSA-N 434.562 2.094 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1359474827 XTARJRNFFAXHQP-IKGGRYGDSA-N 435.573 2.132 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1360355851 HTRZHKGMLYJJJL-SFHVURJKSA-N 444.561 2.151 30 10 IEEE C=CCN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 1435069047 MTJFNMDIKJNDMN-TZMCWYRMSA-N 427.320 2.077 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)ccc1F 1437825118 MRJXJVZJFVFWLM-SFHVURJKSA-N 447.532 2.303 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 1445181135 OLLODVIEJBBTGZ-QGZVFWFLSA-N 431.562 2.346 30 10 IEEE CC(=O)c1c(C)cc(C)c(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1C 1459212487 SSKXVRCJAWLEAR-UHFFFAOYSA-N 425.485 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1467702108 GTWHXECLNNGPAF-SJLPKXTDSA-N 433.530 2.086 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 1469913315 TUYCIGHEAFLKNX-BEFAXECRSA-N 429.498 2.198 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)n[nH]2)c1C 1470676391 FJLSLBNGLRUMHJ-IAGOWNOFSA-N 446.577 2.199 30 10 IEEE C#CCN(C(=O)NCc1ncc2c(n1)CCOC2)C1CCN(C(=O)OC(C)(C)C)CC1 1470715469 PKUGPFDCODSTHF-UHFFFAOYSA-N 429.521 2.094 30 10 IEEE CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1472178946 GXQWHNGTQUZTOH-OAQYLSRUSA-N 435.546 2.197 30 10 IEEE C#C[C@H](NC(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1)C1CCOCC1 1479007693 MOAGOVJPSLZYEX-VQTJNVASSA-N 433.936 2.310 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CC(C)(C)CN(C)C)C2 1492763510 GJBCEXBTVZBTHI-UHFFFAOYSA-N 449.563 2.237 30 10 IEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CCOC1 1504053613 DXIMCHHVQYMKIG-HOIFWPIMSA-N 427.505 2.148 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1507753249 DIJRCOAALVTUMM-SJORKVTESA-N 441.557 2.262 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCN(C)C)CC1 1507877645 MJQVHBPPJDNBIH-UHFFFAOYSA-N 433.578 2.083 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@@H]1C 1508027738 NYBMNMPZDODYKD-SFHVURJKSA-N 425.537 2.227 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1508038203 GSZFRBGECBEYGL-FQEVSTJZSA-N 444.532 2.361 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508076986 XECSPESDXBCKKC-KRWDZBQOSA-N 426.569 2.334 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1nncn1C 1513422865 HHGHVZGEACALEX-MJGOQNOKSA-N 447.547 2.117 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1518642974 GOZVRWIVEATKLA-MJGOQNOKSA-N 426.496 2.250 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1518748774 JDNCLCGZFYRLQR-ROUUACIJSA-N 429.500 2.097 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1520599281 JFSBMFNEBPUERY-AWEZNQCLSA-N 429.395 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)Nc2cccc(C#N)n2)(C(=O)OC(C)(C)C)C1 1529728360 IQUUEXTUVZXWCV-NRFANRHFSA-N 432.477 2.240 30 10 IEEE CC[C@H](Sc1nc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cs1)C(N)=O 1536939308 QBCVLBGNVUZMPQ-INIZCTEOSA-N 444.586 2.093 30 10 IEEE Cc1ccc(-n2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C(F)(F)F)cc1 1539118258 KKIVCBCCYAIMEM-SCLBCKFNSA-N 438.431 2.210 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1539210204 BQCWQDPQDXNDRJ-KRWDZBQOSA-N 430.530 2.491 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539211707 KFZMQROXTIPLEU-GOSISDBHSA-N 446.573 2.132 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1539337858 NIDYRBIARWYGLQ-FQEVSTJZSA-N 430.597 2.111 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1ccnc1C 1539405560 DBQYPQCWTGJDPF-UHFFFAOYSA-N 436.516 2.398 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1539520761 UESRJEPUFNUQOU-UHFFFAOYSA-N 448.614 2.257 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1539751402 MQIMCMDVRNLCSK-GOSISDBHSA-N 439.626 2.084 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1540019156 CIHWEWQPIOTMSJ-LJQANCHMSA-N 430.597 2.417 30 10 IEEE CC(=O)NCCCn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1541096480 XHPNDVCTKNRTRU-OIISXLGYSA-N 433.557 2.313 30 10 IEEE CC1=C(C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1542045053 YITJBGDJPXTRIS-QURGRASLSA-N 433.516 2.337 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C2/SCC(=O)N2C)cc1 1543335181 IKCLUXSTEKWWOW-FHCHWCQOSA-N 436.559 2.265 30 10 IEEE N#Cc1ccc(OCC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1Br 1543711748 SXZNPWREWYYWRC-SFHVURJKSA-N 445.317 2.112 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(CN3CCOCC3)CC2)C1 1544208879 VWCNMIGDRDLGTL-UHFFFAOYSA-N 447.377 2.328 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1547259256 FHVNUXOYSOISDA-ICSRJNTNSA-N 438.532 2.260 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547703178 ABMNAMDCHDLQMM-HRAATJIYSA-N 446.600 2.102 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1554517445 MYIIDBKCDUNWBG-PMACEKPBSA-N 439.516 2.402 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 1556121964 ZIXCQSLHGVZVKW-GOSISDBHSA-N 435.546 2.149 30 10 IEEE CN1CCC2(CCC(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 1556767938 HCGBBXCXXIKIJM-UHFFFAOYSA-N 432.590 2.276 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@]2(CCSC2)C1 1557145871 NHWGETNOCOGMTL-OXJNMPFZSA-N 437.587 2.018 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1558110257 DUXGTPLPGOETHX-ZWKOTPCHSA-N 444.557 2.166 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1584347990 NZFUYNNJIULPIV-DNVCBOLYSA-N 434.512 2.210 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cc(F)cc(C#N)c3)CS(=O)(=O)[C@H]2C1 1587331147 YYAKZRBABUFUIX-XYPHTWIQSA-N 437.493 2.306 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1588550837 ZFRSMXFZPWSIGZ-OALUTQOASA-N 446.548 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C(C)C)cs2)CC1 1588930401 VHJNFJPBUDCYBW-QGZVFWFLSA-N 442.589 2.376 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)CCc1ccccc1 1589394422 FLMXCGMQHWYYBO-MRXNPFEDSA-N 434.338 2.179 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1593887161 XFGAKUHQXZKONN-DLBZAZTESA-N 436.988 2.104 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1594114560 DQAWRUZULBMRKM-MRXNPFEDSA-N 436.607 2.072 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1595094761 YIKNHTAHHWOGMN-VQTJNVASSA-N 436.516 2.099 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1595562275 SETNATQYDHQRAP-UHFFFAOYSA-N 440.523 2.071 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1595738420 OTUZQXZLSQBLIL-VXKWHMMOSA-N 440.592 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCOCC1 1595823995 UWFQVUJHQHLVCK-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)n(C)c2)C1 1595982147 XEIZHRQXWDEVAQ-HNAYVOBHSA-N 426.542 2.215 30 10 IEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OCC 1596595848 MMJMTYPBNJKTPV-OAHLLOKOSA-N 443.953 2.150 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2=O)cc1 1596684441 MPHYULIJCXDFPU-QGZVFWFLSA-N 440.450 2.342 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1611674909 YEZWSRLSZKQRBN-CYBMUJFWSA-N 446.447 2.237 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1611781488 FZLZIJCCIWLMTR-UTKZUKDTSA-N 435.594 2.251 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCOC2)CCO1 1620354942 MZNFYTIXDFNWJJ-FUHWJXTLSA-N 444.923 2.017 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1623601786 CVQZPDLJLVVDQC-NRFANRHFSA-N 443.592 2.438 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 1624137769 NMBCBDGYILSXJA-OAHLLOKOSA-N 426.267 2.248 30 10 IEEE Cc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1625121054 DKSLKWYGZJKDRR-UHFFFAOYSA-N 449.330 2.171 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c1 1626149769 GJOXTIIGUCOGOP-HSZRJFAPSA-N 445.491 2.040 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(CC#N)cc1 1630989194 VZUKQNGBGXEMGR-FQEVSTJZSA-N 443.525 2.099 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 1635669464 MCQATPPIVGIDSO-HOTGVXAUSA-N 427.526 2.247 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)n[nH]2)c1C 1637118650 FRZMTMNNNPTZMA-ZDUSSCGKSA-N 442.911 2.234 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(N)=O)cc2OC(C)C)s1 1639550659 LHXLERQVMUIHPG-UHFFFAOYSA-N 437.543 2.280 30 10 IEEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccncc1Br 1651367362 STOFYHPQYKKFKO-NWDGAFQWSA-N 437.319 2.260 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CS(=O)(=O)C(F)F)c(C(=O)OCC)c1C 1652202658 BEFBOWYYMSGSKS-UHFFFAOYSA-N 425.431 2.152 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1655683540 GDIJGNPWMKPUER-CKNLXJGOSA-N 432.571 2.086 30 10 IEEE C#CCN(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)[C@H]1CCCc2ccccc21 1669122423 LPQMJUAGQKBUAQ-FPOVZHCZSA-N 433.574 2.197 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1689972367 MMCNJEWUQDACIG-UHFFFAOYSA-N 432.315 2.473 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCCC1 1690102320 IGSIVVXSQHKDIG-MSOLQXFVSA-N 442.589 2.214 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)C 1690102441 LAAACXGCZCKTHZ-RBUKOAKNSA-N 448.612 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C2CC2)CC1 1690136385 CVKNSJSZHJRUKS-UHFFFAOYSA-N 440.935 2.162 30 10 IEEE C=CC1CCN(c2nnc(COCC)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1690417601 YXPUZSJQRKWVSJ-UHFFFAOYSA-N 433.597 2.487 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnnn1C)C1CC1 1690538929 SGIFHKUPNZTBKL-UHFFFAOYSA-N 425.493 2.303 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)N(C)C)C1 1690690285 VRXPVCAQWVPCNU-LJQANCHMSA-N 433.578 2.180 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1691204348 JKZHQCFNDPNWHN-HSZRJFAPSA-N 438.532 2.117 30 10 IEEE Cc1nnc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693452594 AHMKSBQCMOPQDI-LPNGOHTBSA-N 449.559 2.214 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1695046149 CDWVYXBSNVNEFQ-HTAPYJJXSA-N 429.569 2.197 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1Cc1nnnn1CC1CC1 1705622522 KKNVTGRZDIPGMB-UHFFFAOYSA-N 426.912 2.129 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705707632 OJDMFNUHDDBMPU-IWQHBPENSA-N 431.537 2.029 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1705717916 VJRSDTJJMRIZQM-QGZVFWFLSA-N 432.546 2.402 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705734395 NQPZTWXHANZNFB-TZIWHRDSSA-N 428.581 2.423 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705836771 FPCBHDOBSGAACT-UWJYYQICSA-N 432.546 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705898617 RIERHKHYVXDOMK-HSZRJFAPSA-N 441.532 2.030 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1705917760 ZKXPOWOUWZWLSM-IPMKNSEASA-N 437.610 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705936477 RJWHKXKYEFXIAZ-FVJLSDCUSA-N 438.594 2.309 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1706076553 FTNYBZGMWLWMHU-PGRDOPGGSA-N 441.605 2.068 30 10 IEEE Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1707786119 XQCNVSXIWZOQQI-IBGZPJMESA-N 448.531 2.026 30 10 IEEE CCCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1709871989 HFCXJZAMFZNAKU-IBGZPJMESA-N 436.520 2.101 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1722276025 GWJZRDAKFDUFAQ-QWHCGFSZSA-N 434.547 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1nc(C)no1 1722280718 LJMXXWWFDYNYNL-CQSZACIVSA-N 428.518 2.131 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)SC 1722417958 ZGJYTZIJDDVNIA-HUUCEWRRSA-N 439.582 2.419 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNC(=O)C(C)C 1722462820 YDDGCMOMDXCDBY-IBGZPJMESA-N 443.573 2.365 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722496037 VHCVFMJEJTUWKU-GGAORHGYSA-N 438.576 2.006 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1722503055 XRMHHONBIHJAJC-SNVBAGLBSA-N 430.319 2.278 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1722532332 JBTOHULUJATGTA-SFHVURJKSA-N 446.502 2.427 30 10 IEEE C=CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722651792 SMDKBDZFRFKFHE-IBGZPJMESA-N 429.590 2.500 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722698014 SKENJIHMPBNTDZ-HNNXBMFYSA-N 429.525 2.021 30 10 IEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1722707979 FOFOYIUNKWGWAJ-UHFFFAOYSA-N 439.541 2.112 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2C)C1 1722711993 YEKNQSRFEDTBCF-SIKLNZKXSA-N 430.553 2.190 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1722733315 VOEZRAZHOWHUAF-SFHVURJKSA-N 445.483 2.267 30 10 IEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722740356 OCWAAKZTSAJVEL-INIZCTEOSA-N 430.582 2.387 30 10 IEEE CC[C@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1726858901 BZMIMHFAWHLUSY-XYYCENQHSA-N 446.596 2.240 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1727279816 BYTICDVPKCSULN-FPOVZHCZSA-N 435.532 2.332 30 10 IEEE CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729218062 DVDITJWFEHQORB-LJQANCHMSA-N 446.577 2.180 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1729812190 MMOKHWWXFVZCOG-QFIPXVFZSA-N 427.505 2.149 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1740553026 QJEIKSXNPWCZNN-WMZOPIPTSA-N 440.573 2.387 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740583102 VFVAFGQXFPEJJV-HXUWFJFHSA-N 438.557 2.234 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN2CCOCC2)CC1 1740594999 HWEQBLHQAPSDQV-UHFFFAOYSA-N 425.581 2.102 30 10 IEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740783003 CDGVNBGEJUTKAJ-IBGZPJMESA-N 426.496 2.351 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)C1 1740982352 VDYDHQZXFWCEGB-KNQAVFIVSA-N 431.968 2.370 30 10 IEEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)CC1 1745686598 IXMYZSSJERKTSH-IBGZPJMESA-N 448.637 2.432 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCCC1 1748794707 HHXRBYJBFVOCPQ-UHFFFAOYSA-N 430.574 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CSCCS1 1748875064 IKWHQAPHVOPCIW-INIZCTEOSA-N 426.571 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748901860 BUUWBTVAFKVVIQ-OAQYLSRUSA-N 435.528 2.108 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCCO)CC1 1748982740 BUJUESKSDSAMES-UHFFFAOYSA-N 425.577 2.397 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1749068276 GOODXDLBKWDDGU-HRAATJIYSA-N 431.537 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@@H](C)C1 1749119002 MBQCGJSVRWEIKW-VIQHNZTISA-N 443.639 2.200 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749355041 FBJQVDAPECYBNC-DLBZAZTESA-N 427.440 2.071 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1749391000 NOJZBHSZACZYBK-UHFFFAOYSA-N 431.562 2.373 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1749391472 PJLWOIMMSQZLSB-INIZCTEOSA-N 447.609 2.340 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1749445858 ZOUWEPUPQBFISO-OAHLLOKOSA-N 437.541 2.183 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749661096 XZLZYYGZFAFQHH-HXUWFJFHSA-N 445.531 2.169 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1749756251 VODNJTYRSYZDDX-ZWKOTPCHSA-N 440.635 2.352 30 10 IEEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCN(C)CC1 1750260589 GWXPZTIWKHGMPC-KRWDZBQOSA-N 431.610 2.187 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1750578809 DHKZWSHYWHHESM-NQIIRXRSSA-N 431.562 2.237 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cc1 1751554693 ZIMGYHQJBVDFJE-MRXNPFEDSA-N 441.513 2.302 30 10 IEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1760146973 CMNCFMOQKHXBLJ-CYBMUJFWSA-N 432.322 2.441 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCC1 1760200993 YZPWEANNHRBVBZ-UHFFFAOYSA-N 430.512 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CCc2ccccc2)C1 1760217466 BXZFNNBXAZBMIN-XZOQPEGZSA-N 444.583 2.257 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1760258685 BDAJCSGQMIYLSC-HTAPYJJXSA-N 429.952 2.098 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2ccccc2)CC1 1760260920 HWUINDUUEKXKEU-OAQYLSRUSA-N 433.560 2.362 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1760270147 MNLQENHQVNETOK-QGZVFWFLSA-N 446.596 2.452 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1)C1CC1 1760470325 NJULCBNLZXGXIH-INIZCTEOSA-N 441.561 2.277 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCOC1 1760503623 CSLYNRNYKKZZNK-IBGZPJMESA-N 437.338 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760519501 GPOVSJYJBZJJEA-FPOVZHCZSA-N 438.576 2.103 30 10 IEEE CC[C@@H](C)c1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761843305 MWHHJWAZTWHVJU-DPPKGPFUSA-N 429.569 2.239 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1762012532 AXEXTQOBTRCWTQ-AZUAARDMSA-N 438.580 2.106 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCN(CC(C)C)C1 1762610615 DDLSCGNYVUOQDL-AZUAARDMSA-N 437.596 2.331 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1763422637 FIHPMKFMQQAQNT-QQMNAOGKSA-N 440.548 2.193 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CCO1 1765634975 ZLUXJYHAMKZUGY-LJQANCHMSA-N 446.577 2.151 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1767625137 APQIDRIJPXXXSC-WZONZLPQSA-N 438.532 2.118 30 10 IEEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 1771535884 BTMYOKGSYOYIOZ-UHFFFAOYSA-N 440.401 2.415 30 10 IEEE CC(C)[C@@H](C(=O)N(C)c1snc(N2CCOCC2)c1C#N)N1Cc2ccccc2C1=O 1852381449 VUKHQPQJRCJJCX-SFHVURJKSA-N 439.541 2.495 30 10 IEEE CN(C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1)c1snc(N2CCOCC2)c1C#N 1852817100 SWRWVEBDAPMXCU-APWZRJJASA-N 439.541 2.424 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccccc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644827 MRZCCUZTXJRXEQ-CQSZACIVSA-N 431.901 2.202 30 10 IEEE C[C@H](Oc1cccc(F)c1)C(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856905483 GWILWHGKTNWKNL-AWEZNQCLSA-N 431.445 2.216 30 10 IEEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCC(=O)NCC(=O)O)n2)ccn1 1857836119 IAWNAAXHPJDUEF-UHFFFAOYSA-N 432.484 2.483 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C(=O)O 1862415242 SGLMGWTZMUHGQK-GOSISDBHSA-N 444.390 2.377 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(C(=O)OC)cc1 1864731689 IDWSFZRNESVCDC-LBPRGKRZSA-N 436.390 2.222 30 10 IEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CC=C)CC=C)cc1=O 1870384999 CEEHPWHMEDDCKU-UHFFFAOYSA-N 429.542 2.283 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1CCN(C)C 1870504219 SXMRDSGFKVEGJT-UHFFFAOYSA-N 431.562 2.058 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](NS(=O)(=O)C4CC4)C3)n[nH]2)c1C 1891568104 IZGOCMDVGQGQIR-INIZCTEOSA-N 446.577 2.153 30 10 IEEE Cn1cc(C#N)c(=NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)[nH]1 2060821101 SRXUOVYFCWIFPB-UHFFFAOYSA-N 438.532 2.212 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)=C[C@@H]1O 2068906915 DGLMMGMZFBKTNR-SJORKVTESA-N 434.342 2.361 30 10 IEEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085657449 ULXCTIFTIINROA-NRFANRHFSA-N 435.330 2.249 30 10 IEEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2195274401 XDVDQFVRHQMDFQ-IKVWTGGYSA-N 439.530 2.277 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@H](N)C#Cc2ccccc2Br)C1 2227493734 QWIMJVQDULDDOP-CVEARBPZSA-N 443.363 2.162 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@@H](Cc1ccccc1Br)C(=O)O 2229108070 RTZJBPUIBNVGHA-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE CN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)Cc1ccccc1 2243412677 RGWFGINMVIYBIN-UHFFFAOYSA-N 436.408 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2247833675 KDLLRWCGSYZAHR-GFCCVEGCSA-N 439.343 2.113 30 10 IEEE C[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247835849 RNJLBDMPJBYBLN-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267145575 FIHDFYQHPSMWHS-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(Cc2ccccc2)C1 2267176508 ARNJELXLAPMUMT-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267287920 YSAWTBCCRZTIAW-MRXNPFEDSA-N 449.357 2.070 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501424 XXQSWFUZALCGJT-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267526782 XSWQETMCVIRNFW-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CC1(C)OB(C2CC(C(=O)NC3(C(N)=O)CCN(Cc4ccccc4)CC3)C2)OC1(C)C 2267572307 UDDPZFOFKCUQCK-UHFFFAOYSA-N 441.381 2.495 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267594010 ZAYMZXXPWLMTLK-GJZGRUSLSA-N 446.357 2.342 30 10 IEEE C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268721408 KVOITHWXSMJZRY-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2302368157 SNEBRNRGRWWKEX-GAJHUEQPSA-N 430.501 2.423 30 10 IEEE CC1(C)OB(c2cc(=NC[C@@H]3CCCCN3C(=O)C(F)(F)F)[nH]cc2F)OC1(C)C 2322305918 CDXQVMHAMVFIOB-LBPRGKRZSA-N 431.239 2.297 30 10 IEEE CN(C)C[C@@H](COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)NC(=O)OC(C)(C)C 2322308898 LBFHXWBEZQBPGI-AWEZNQCLSA-N 439.337 2.354 30 10 IEEE COc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c(OC)c1 2327906637 CIFXMCXNDCOKAL-OAHLLOKOSA-N 447.561 2.376 30 10 IEEE CCOc1cc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 2329045470 FREXDGXJNUHFFN-MRXNPFEDSA-N 447.561 2.463 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2342544913 JSTBBBZRMQBKPF-HUUCEWRRSA-N 447.345 2.092 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(Nc1ccc(C#N)cc1Br)C(=O)O 2350234843 XPZSSVBEPKSLTR-DYVFJYSZSA-N 426.267 2.480 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc1 24817976 QDMPYGKXCHKBCB-UHFFFAOYSA-N 434.315 2.467 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 103228399 VBDXNKGGGIZOCC-AGGMBTAESA-N 437.496 2.234 30 10 IEEE C[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2cc([N+](=O)[O-])ccc2F)C1 203568144 UWUZSJQZDRKPEY-RIEGTJTDSA-N 426.408 2.277 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 238924019 ULUMHLHDVKWITG-ZDUSSCGKSA-N 428.392 2.479 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 465283546 HBPBCILSQIGDJC-LSDHHAIUSA-N 427.459 2.125 30 10 IEEE COC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1c(F)cc(C#N)cc1F 466325133 KYHSXXFKEIPWLM-UHFFFAOYSA-N 442.396 2.450 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CC1 471304734 CMHOFZYGQDQUQP-UHFFFAOYSA-N 438.916 2.449 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 479216951 NRNQNKXMGSVBPE-UHFFFAOYSA-N 436.537 2.148 30 10 IEEE Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c(C)c1 489435232 WGGZHGFLVNZMQG-GOSISDBHSA-N 442.541 2.179 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)cc1C#N 489936564 RVANPNIILAVROF-CQSZACIVSA-N 425.514 2.330 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 518688966 ZRJNQLLUONTGJQ-FQEVSTJZSA-N 426.448 2.345 30 10 IEEE CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 544877810 GMWDGHZRBXKFNC-UHFFFAOYSA-N 444.517 2.078 30 10 IEEE CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1Cl 546178239 GAQIFRFDWGINFH-UHFFFAOYSA-N 437.884 2.215 30 10 IEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 555265509 KWPWNOYAXUTNAM-UHFFFAOYSA-N 431.562 2.402 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3cccc(C)c3)cc21 586314688 RLCCXTGEVVTAIJ-SSEXGKCCSA-N 426.494 2.477 30 10 IEEE O=C(CN1C(=O)c2ccccc2C1=O)NC1CCC(OS(=O)(=O)c2cccs2)CC1 586507808 DMFIYPAAJWCURT-UHFFFAOYSA-N 448.522 2.177 30 10 IEEE CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 609146364 SPFWRGGCINTEFU-UHFFFAOYSA-N 427.526 2.469 30 10 IEEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc([N+](=O)[O-])cc1 610035748 CVLAOHHSGFLOHU-UHFFFAOYSA-N 442.497 2.277 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 619831575 VYORPOLXUWOJBF-GOSISDBHSA-N 425.537 2.418 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668191 AIFKZCIBAVBHAL-UHFFFAOYSA-N 444.516 2.283 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1OC 733229586 DITXUOGTQBKCQQ-FXVOITISSA-N 442.516 2.493 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CCC(=O)N2C)cc1 744007174 CDPYSPGLEPASRC-FPOVZHCZSA-N 441.509 2.123 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 749529968 JRUOAAIVMLGJKA-UHFFFAOYSA-N 426.542 2.049 30 10 IEEE CCC(C)(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 757921866 NBRSXUVJFDCAGB-KRWDZBQOSA-N 447.605 2.221 30 10 IEEE C=CCn1c(-c2cnccn2)nn(CN2CCN(C[C@H]3CCCCN3C)CC2)c1=S 765010403 MWSVDOAHZYBMNW-GOSISDBHSA-N 428.610 2.116 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 769721778 GSSUNCDRRBNOHQ-OAHLLOKOSA-N 443.257 2.355 30 10 IEEE C#CCN(C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774162943 BPBFZQLUFIGGDB-YJBOKZPZSA-N 441.956 2.448 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 779350243 ABLKVLKBTHLDLG-GHXQLAGASA-N 438.315 2.398 30 10 IEEE C#CCNC(=O)[C@@H](C)OC(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O 780119988 YBSOCYWOYHBBMU-LPYTZGJOSA-N 429.469 2.330 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)c2ccncc2OC)C1=O 783507549 ILJQLBDYTFDHJJ-SJCJKPOMSA-N 441.513 2.018 30 10 IEEE Cc1cc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)ccc1F 787055727 CCKDCWDDVKOBMT-MAUKXSAKSA-N 438.415 2.421 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1 798080873 ACGNRYSFXGPCFZ-VYDXJSESSA-N 435.546 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cc(C#N)ccn2)C1 807168323 GWYDJAUKCMGAHO-MJGOQNOKSA-N 441.532 2.321 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 858070725 BVOZAIGLDDAWPL-IBGZPJMESA-N 425.510 2.164 30 10 IEEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 920113990 WIEQYAHVZWYAKQ-LIRRHRJNSA-N 427.407 2.352 30 10 IEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NCCS 1082549765 BHIGSFGQLRZQIK-HOGMHMTRSA-N 437.577 2.380 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084508909 UZMMSXBUULDYMY-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1127215829 PPQHUMUUHFHHJJ-MAUKXSAKSA-N 427.505 2.488 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(Cl)c(C#N)c2)C1 1133631462 WXQKKQAZGBFMQH-HNNXBMFYSA-N 441.937 2.366 30 10 IEEE Cc1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1S(N)(=O)=O 1135772756 LOHQZGZWOVRWKX-UHFFFAOYSA-N 449.330 2.352 30 10 IEEE CC(C)[C@H](C#N)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1138077145 IVPSMVIKMBJJSB-AWEZNQCLSA-N 441.326 2.413 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1151573910 MUWDMZORPQZQLD-CYBMUJFWSA-N 442.843 2.174 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1161759868 NXFWEOPVNXBCJM-IUODEOHRSA-N 436.452 2.386 30 10 IEEE C#CCn1ccc(CN(CCOC)C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)n1 1169917233 FFSRTKDGJPTBOJ-NFBKMPQASA-N 432.565 2.381 30 10 IEEE NC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(C#Cc3ccccc3)cc1)CCS2(=O)=O 1179845694 BPSBOEVIMUBAAC-DQBMGFJSSA-N 436.533 2.028 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 1211900433 ZSQWRLMFAANIHE-UHFFFAOYSA-N 433.429 2.471 30 10 IEEE CCN1CCN(C(=O)c2ccc(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)CC1 1215016122 FOYQXMQWWDUJPJ-UHFFFAOYSA-N 447.543 2.085 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286339552 XBXQIKCDIYHYRJ-UHFFFAOYSA-N 431.585 2.240 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)cc2Cl)CC1 1286480255 TYNCCSQEMJTAKI-SFHVURJKSA-N 430.915 2.020 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)CCOC)CC1 1286490575 YMFCIXJJUIWUPO-UHFFFAOYSA-N 426.565 2.312 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1(=O)=O 1286583206 NNBYEWOYEBMDSQ-BZSNNMDCSA-N 426.583 2.372 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286672039 FQWDBQJBZHIEGU-QZTJIDSGSA-N 437.610 2.087 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1286705690 CPCXOXYSZGNVPZ-IBGZPJMESA-N 440.548 2.455 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1286708760 YNRZMQWTEBYKGE-UHFFFAOYSA-N 445.520 2.443 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C1 1286803609 FFQQWYIIJWXEIG-LJQANCHMSA-N 425.581 2.147 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1286808914 OCRNQEASGPZIKA-HZPDHXFCSA-N 429.525 2.430 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H](NS(C)(=O)=O)C(C)C)c2)c1 1290504330 CQURPPIELCPYCW-HXUWFJFHSA-N 428.510 2.385 30 10 IEEE C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CCCO1 1291278097 PTWCUIXOHDRICK-AWEZNQCLSA-N 426.502 2.398 30 10 IEEE CCOCCOCc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1297625473 SYKXWYHAILJLIO-FQEVSTJZSA-N 449.515 2.065 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1)c1cc[nH]n1 1299726323 RONVNVQALZIJIP-UHFFFAOYSA-N 433.490 2.226 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 1299955798 QJYFDZLZMWTHAW-MTNREXPMSA-N 441.553 2.210 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCn3c(=O)nc(O)c4ccccc43)CC2)c1 1300155099 FKHMLJAHDJOQCS-UHFFFAOYSA-N 431.496 2.145 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 1300411528 ZWUWKVKHAOSAMS-DGCLKSJQSA-N 445.335 2.180 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300849649 RUSYIWIIHORMBE-LBPRGKRZSA-N 431.294 2.226 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(CCOCC)CC1 1300852664 BPLPNPIUVRAAMQ-UHFFFAOYSA-N 435.370 2.331 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301259760 NQTMVMOBJCYWJI-YLJYHZDGSA-N 446.621 2.383 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1301527103 UIJBZDVXUMHGIZ-UHFFFAOYSA-N 431.562 2.240 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301617393 DWTOVTXCLJXJCO-XLIONFOSSA-N 432.638 2.139 30 10 IEEE Cc1cccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1304247481 GDYHOMQYVQDOGA-IEBWSBKVSA-N 447.499 2.430 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1)C1CCOCC1 1313043656 SKNUKDMMRSXVMI-HNAYVOBHSA-N 439.512 2.439 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCSCCCO)cc1 1316534061 NFIGTQCCWDQZOJ-FQEVSTJZSA-N 430.509 2.286 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1N(C)CCCC1(C)C 1358946390 SZSRAVFXNQEDTE-SFHVURJKSA-N 443.621 2.428 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1359052719 OBKCYBNLIJJPHF-JOCHJYFZSA-N 444.557 2.324 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359060183 NHNDPKNTRIPICF-QHCPKHFHSA-N 439.585 2.155 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1359064267 OVYOKMAJSUWDBO-LAUBAEHRSA-N 436.626 2.002 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359144333 FNQGSMUWSHWJGZ-UHFFFAOYSA-N 445.867 2.126 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CCCO)CC1 1359172720 GBJYUNWGXUCSBE-LJQANCHMSA-N 439.564 2.175 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H](C)CC(N)=O 1359294882 HZIMBJOUAZFICD-ZDUSSCGKSA-N 449.353 2.018 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)noc1C 1359301465 ZDGPYNYXVZAQAM-LJQANCHMSA-N 438.488 2.334 30 10 IEEE CC(C)N(C)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1360107154 FCCQZCHFIIMJAB-UHFFFAOYSA-N 433.564 2.217 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)cc1OCC 1442724093 RRXNDYFJIYSXIB-UHFFFAOYSA-N 448.566 2.430 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cccs1)C1(CO)CCC1 1452427673 HRPZYHDGOKFUSI-KBXCAEBGSA-N 433.555 2.307 30 10 IEEE CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 1463046100 DQZSMPPPZQLACO-UHFFFAOYSA-N 434.539 2.335 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC(=O)Nc3ccccn3)C2)C1 1464612911 UKLGBRRIRZHVEG-BXFSZVDSSA-N 427.505 2.313 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C1 1464990646 OGEMKWQFVXZZJT-GOSISDBHSA-N 434.562 2.089 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nnc3ccc(Br)cn23)c1 1468161186 AFTIDHNVPGDTEQ-UHFFFAOYSA-N 438.238 2.180 30 10 IEEE CCc1ccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1468578622 JEAYQFWTEDVBFG-SFHVURJKSA-N 429.498 2.070 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)nc1 1473797033 OWKXJVZHJORQMO-QZTJIDSGSA-N 438.475 2.379 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1507631397 DERGWAXFTFWGSX-VQTJNVASSA-N 428.558 2.019 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)CC1 1507724346 NOBGVHTYFIPQNO-UHFFFAOYSA-N 426.540 2.068 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2OCCN(C)C)CC1 1507725580 XHXMPFZPUSOVFH-UHFFFAOYSA-N 433.560 2.017 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507828750 GHKCMAJMOLABKR-OALUTQOASA-N 438.580 2.128 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1507942517 DIMWFFCOFKSOQZ-KKSFZXQISA-N 431.562 2.490 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 1508093718 VPRAMCKBLPNGNT-AUSIDOKSSA-N 441.532 2.488 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@@H](C)C1 1508135812 MMFXODCHHXTYAU-AWEZNQCLSA-N 425.942 2.210 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCN(C)C 1508411578 KQXREJWMWFHUQC-CQSZACIVSA-N 438.374 2.220 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2ccc(C#N)o2)CCOC1 1516230164 QXQDFNLUBCJCDY-CRAIPNDOSA-N 441.410 2.211 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2scnc2C)CC1 1517608328 FYKWYNMRTQHSIW-UHFFFAOYSA-N 436.545 2.286 30 10 IEEE COCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519400242 WOUUGRYKECCRTJ-IBGZPJMESA-N 430.940 2.438 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2nnn(C(C)(C)C)n2)cc1 1526183503 AUMYFDKMDCWKOA-KQWNVCNZSA-N 433.538 2.273 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2COCCC)CC1 1539445768 FOHBEIWDTGFQQX-UHFFFAOYSA-N 431.544 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)OC(C)(C)C)CC1 1539469935 VUOVPVUYONHGDV-MRXNPFEDSA-N 432.569 2.282 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539614642 AYTSFKFMHKQUJE-BJLQDIEVSA-N 430.597 2.172 30 10 IEEE C#C[C@@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1539807269 HQZAGRVYPPHXLK-QGZVFWFLSA-N 433.302 2.370 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1541279288 NHLSFCPIOCBJBK-KRWDZBQOSA-N 426.521 2.116 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1541976328 LAVQPJMQHRZWQF-LFRPXUGBSA-N 444.923 2.279 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)COc3ccccc3)[C@H](C(N)=O)C2)cc1C(F)(F)F 1548368010 FXMQJFMKUAIJAS-SFHVURJKSA-N 432.402 2.159 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1555005269 ITUCSFPIUZCVSV-HTAPYJJXSA-N 437.504 2.072 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1557770419 LEOBQONDMVAOKV-LBPRGKRZSA-N 426.844 2.182 30 10 IEEE CC(=O)N[C@@](C)(C(=O)N1CCc2c(CC#N)cccc2C1)c1ccc(S(C)(=O)=O)cc1 1557817654 XFUSGJXDHAMHOX-HSZRJFAPSA-N 439.537 2.092 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCc2nc(C#N)cs2)CC1 1564795735 PCRPOFCJWWCETB-CQSZACIVSA-N 447.586 2.443 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1565718721 OYUQJXRNXDWKPX-SXLOBPIMSA-N 430.549 2.087 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 1569443477 MYXYTALVKDJCJN-UHFFFAOYSA-N 430.468 2.309 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1587803681 JOCXRQUGXQAHCK-UHFFFAOYSA-N 428.562 2.162 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1587856046 FUFJOVAPARPDSH-KRWDZBQOSA-N 429.487 2.286 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1587857508 ZORVCMXGCPXTTG-SFHVURJKSA-N 430.578 2.194 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1588059819 VPLKXSHEKZNNPH-HXUWFJFHSA-N 444.601 2.379 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1589150304 DSRPXPLCUQWXEB-BXKMTCNYSA-N 437.544 2.328 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1589216791 XSHHXHWZBFVQJI-CNNODRBYSA-N 433.622 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)CC1 1589558511 LFQYXOLHUYVYEX-IRLDBZIGSA-N 426.565 2.014 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1594961549 CCQJLBFKQZGBTJ-CABCVRRESA-N 432.546 2.183 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1)C1CC1 1595058580 PWXANLORQFREER-ROFLEHJCSA-N 443.573 2.479 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1595467770 ZCTYDBSUZFYFGV-UHFFFAOYSA-N 436.507 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCOC2(CCOCC2)C1 1595777092 ILFOXRDPUXZEIA-UHFFFAOYSA-N 446.573 2.240 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1595798673 RYXQWFUTNJDRRJ-RTBURBONSA-N 437.610 2.185 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567119 GEQYPBOAUQXPEY-SGXKBVARSA-N 445.541 2.265 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2Cc3ccccc3C2)n1Cc1ccc(C#N)o1 1611662006 VUDNUXMRBDIVQF-CQSZACIVSA-N 440.529 2.005 30 10 IEEE CC1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)CC1 1612871824 BEXIQELGTVJLPN-UHFFFAOYSA-N 444.605 2.420 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)[C@H](C)CC 1616922821 NXOJMDZORMCNDQ-VGSWGCGISA-N 427.553 2.205 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1619129086 RGAIRGZMXFBLCZ-ZWKOTPCHSA-N 427.505 2.242 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1620053487 NPKDCINEZZUDTM-LJQANCHMSA-N 440.548 2.363 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1628005991 NLLQQNZPYNWYHQ-OIISXLGYSA-N 428.938 2.261 30 10 IEEE C#CCOc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)c1 1629022346 INCVCEBQTHIKIC-UHFFFAOYSA-N 434.539 2.405 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 1630072823 FSIAYIHUUKIYMN-IBGZPJMESA-N 429.517 2.333 30 10 IEEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 1638881793 BLINRCSODPWRDS-UHFFFAOYSA-N 428.514 2.351 30 10 IEEE CCOC(=O)CON=C(C(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2)c1cc[nH]n1 1640880070 YHPMDMUTHURDND-GUYCJALGSA-N 440.504 2.069 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCCN(CCCO)C1 1640965896 ZQZUVSMSWGSRCK-CTNGQTDRSA-N 442.560 2.356 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 1641478912 SCLCJJUYNKOQKI-HSZRJFAPSA-N 438.505 2.238 30 10 IEEE NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)co1 1645936949 HTJBJBACYANHLI-RNFRBKRXSA-N 442.284 2.170 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1648634116 UNUQDJJQIXMFDV-NJAFHUGGSA-N 448.545 2.149 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)c3cnc(I)c(O)c3)n[nH]2)c1 1649146544 OBBZKJQHQMHZHN-UHFFFAOYSA-N 432.181 2.301 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)Cc2nnc3c(=O)[nH]ccn23)n(C2CCCCC2)c1C 1655480105 DYMYKFFRRFRTAR-UHFFFAOYSA-N 436.520 2.283 30 10 IEEE C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1664407201 NHVRMUREPAQCBM-LLVKDONJSA-N 426.354 2.064 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C1CCOCC1 1665155951 HYTYBDNYJXYCEU-OAHLLOKOSA-N 432.336 2.181 30 10 IEEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC1CCN(c2ccccc2C#N)CC1 1669374101 AGFMLXAYDHUPRC-HXUWFJFHSA-N 447.587 2.432 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1675970035 ACJVJKVUWRICHP-IAGOWNOFSA-N 429.583 2.408 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689939853 FNFDAZFGUXAMNO-UHFFFAOYSA-N 447.543 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1690040986 VYZDWAOBOMSZJI-GOSISDBHSA-N 440.525 2.104 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1cccn1 1690072681 PTTPDXDHZXUEMQ-UHFFFAOYSA-N 430.516 2.421 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)c2ccccc2)CC1 1690128938 MLRJLTWIJYUGMX-HSZRJFAPSA-N 436.585 2.297 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1690134949 MHNAPGMZKWRMNM-RBUKOAKNSA-N 446.596 2.388 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690243918 RHSMNDAMTUQRTF-BJLQDIEVSA-N 439.564 2.409 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690510294 ZFUCIBOCJDMPSO-UHFFFAOYSA-N 431.500 2.392 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)C1 1690696394 BDPVESHIIKXRJT-MRXNPFEDSA-N 444.561 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1690724639 TUHTZBCZCDIWQG-RBUKOAKNSA-N 438.594 2.373 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1696592323 NFBNJXXTMPQZQO-INIZCTEOSA-N 442.430 2.337 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705516711 HPFXLKNTACNGIA-OTWHNJEPSA-N 437.610 2.429 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1705541199 CFVMURPHYGEKIH-QUCCMNQESA-N 444.605 2.103 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC1(O)CCOCC1 1705579788 SIENOYTULDGTAO-UHFFFAOYSA-N 430.512 2.135 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NC1CCCCC1 1705590332 IIDZILCZIIGEOK-DEOSSOPVSA-N 441.576 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnc2n1CCC2 1705591825 JCCVIRBPQZGQGC-UHFFFAOYSA-N 431.500 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCNC(=O)c1cccc(O)c1 1705599456 MIGSTUFLWBMEEZ-UHFFFAOYSA-N 442.523 2.253 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705632216 JGAMZOAIKPZBJR-ICSRJNTNSA-N 430.597 2.013 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1705694216 PLCYNZORVMBGGQ-HZPDHXFCSA-N 444.502 2.082 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705695475 XJRVSHAFAWRHDH-NVVBAYIOSA-N 444.580 2.037 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](COC)C1 1705706046 OUPXBDPUYMBVMB-POAQFYNOSA-N 433.578 2.467 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1705715599 KJUZBCBGUGBCFQ-UHFFFAOYSA-N 435.550 2.233 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705770945 AGPYPQFTUOBLAJ-INIZCTEOSA-N 426.487 2.441 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705828096 BNJYOOJYSKOZKG-UHFFFAOYSA-N 426.525 2.270 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705885777 LWZKJZDFSBFRLV-FQEVSTJZSA-N 449.964 2.063 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705905604 AULQXOKZLKCBEW-QGZVFWFLSA-N 432.569 2.369 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908936 XXLPEARQXKZQRE-HNAYVOBHSA-N 445.486 2.400 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706745412 ACNWIVADIVFZEX-MRXNPFEDSA-N 436.520 2.333 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1710875239 PXQRMDWAXJJGEI-UHFFFAOYSA-N 447.561 2.087 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1711014870 HUHKHKYSCDDDIS-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)C1 1711317615 CTTSYBRFSGTZSS-XMMPIXPASA-N 449.559 2.182 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1712167177 GHBQXSQGNDISTN-GOSISDBHSA-N 440.458 2.057 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC=C 1722275967 FCLRGTPFIOHLAJ-ZDUSSCGKSA-N 432.322 2.476 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1722403430 QOPITMDDCYDFGR-UHFFFAOYSA-N 427.472 2.218 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722459088 CEUOSOZNALNFPG-FUHWJXTLSA-N 445.593 2.113 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1722738659 NEWKMGSNCODYHJ-APWZRJJASA-N 426.608 2.106 30 10 IEEE CC(C)Cc1nnc(N2CCN(C)c3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723331662 UCZWYNPVFRIMRT-GHVJWSGMSA-N 449.559 2.459 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCCC1 1727658263 CTUMNOORXLXRGJ-LJQANCHMSA-N 438.532 2.403 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C)C(F)(F)F 1729851504 AIGLSJFGHBMHLU-CJNGLKHVSA-N 436.438 2.451 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1730850596 IAPBYDVEYWZEIF-JQVVWYNYSA-N 434.585 2.100 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CN2CCCC2=O)cc1 1740612849 KHASZELADQUTOA-UHFFFAOYSA-N 431.544 2.380 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740627316 PGZBYLAVYNQLID-LSDHHAIUSA-N 436.500 2.071 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC1CCS(=O)(=O)CC1 1740658149 HLWZBXAGLLNRSW-UHFFFAOYSA-N 440.569 2.187 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1740797055 KCPJKHFAXPFLNG-UHFFFAOYSA-N 429.496 2.400 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1740857067 BOVQTMMGMDWUBT-UHFFFAOYSA-N 427.553 2.489 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740862030 IEXOFKIVMCNRKF-IAGOWNOFSA-N 448.568 2.315 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740864528 NXNUULFDITZFLI-FGTMMUONSA-N 425.599 2.450 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741000376 PQTUCXDYCABIOB-UHFFFAOYSA-N 433.545 2.248 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1741131112 DFKAXPOOJMLYLC-CRAIPNDOSA-N 445.545 2.211 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1741132937 LKWWECBXKNWHEY-WGLILOHCSA-N 437.479 2.130 30 10 IEEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1741751228 OGIRQKKPBDHVCI-KRWDZBQOSA-N 446.577 2.102 30 10 IEEE Cc1nc(-c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)C[C@H](C)C#N)cc2)n[nH]1 1742557540 INRZALICIIJMMW-OAHLLOKOSA-N 433.520 2.252 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2ccccc2s1 1748826634 WYQBIEGKJXKETK-HNNXBMFYSA-N 427.555 2.224 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1748913376 TYHWZLARZDKVLJ-QHCPKHFHSA-N 425.533 2.140 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 1749123882 JAEIIJUQFYSHKD-FUHWJXTLSA-N 445.955 2.436 30 10 IEEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1749527761 QLEPMKOPKZDFAK-IXDOHACOSA-N 430.553 2.340 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1 1749597418 FYWXKAAXEUYDEY-DYESRHJHSA-N 433.940 2.429 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1750379682 WOIZZFGJIXATOG-YJBOKZPZSA-N 430.450 2.326 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1751019303 XXOUZYPIUAYDPG-SFTDATJTSA-N 431.516 2.127 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccccc2F)C1 1751273274 CZXULFJXLHHMQT-QFIPXVFZSA-N 434.479 2.434 30 10 IEEE CC1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1751295147 HBPBMORNTDJKRZ-ZPHPHTNESA-N 439.545 2.198 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2cn(C3COC3)nn2)c1 1751456832 DDPJGOBWTBDUAB-MRXNPFEDSA-N 436.520 2.281 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCS(=O)(=O)C1 1760232416 DUDYURXXJPEUKV-MRXNPFEDSA-N 425.514 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760335493 NHLAXNATSVSUTC-MKXGPGLRSA-N 440.610 2.413 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760527467 XXECWHGCMYDZGX-UHFFFAOYSA-N 428.581 2.152 30 10 IEEE CCOCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCC1 1766501757 SMEUDLPBUYYHPR-QGZVFWFLSA-N 439.520 2.251 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1767168461 UWSBKMLKCVEQJC-UHFFFAOYSA-N 429.912 2.239 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1770057077 HDIPDNVVUXSXKP-OAQYLSRUSA-N 446.577 2.412 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCSC4)C3)n2CCOCCCO)cc1 1771534612 IJYJOLMKBDBTEI-JOCHJYFZSA-N 443.573 2.461 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1N1CCC(C#N)CC1 1850531578 SFOLOXKVAPRRSZ-UHFFFAOYSA-N 436.516 2.452 30 10 IEEE COc1ccc(-n2nc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)nc2C)cc1 1851026908 GULOPKLUHUGUCY-UHFFFAOYSA-N 436.516 2.199 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1854462408 PUSBDSIFRRUZOO-UHFFFAOYSA-N 429.473 2.078 30 10 IEEE CCCN1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C(=O)C1 1854523625 MEEIKKIEBBIQPF-LEWJYISDSA-N 428.558 2.033 30 10 IEEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1=O)CC2 1855100790 QNKZEWMGGFSIPT-MAUKXSAKSA-N 449.960 2.257 30 10 IEEE Cc1c(Cl)cncc1C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1856039552 VYBCQXDLUCYLFV-UHFFFAOYSA-N 432.889 2.307 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)c3sccc3F)C2)CC1 1857382802 OYFQWEICEUMOBX-HNNXBMFYSA-N 427.505 2.355 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1859555166 AEKNQXRLHDVXEY-UHFFFAOYSA-N 445.541 2.205 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1 1861578352 RLEQMMLAIRMSIN-GPVYEGESSA-N 438.480 2.369 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1cc(OC)c(O)c(OC)c1 1864954687 FCWKEPIMSHKXII-KRWDZBQOSA-N 428.489 2.321 30 10 IEEE CC[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(C#N)cc1 1867223617 SJXSKGJREORQPP-HXUWFJFHSA-N 435.528 2.466 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 1869929212 CCWNWBXPDDIQCY-GOSISDBHSA-N 444.532 2.382 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccc(OC)c2)o1 1874433185 MMPDEWCQYVAESK-LSHDLFTRSA-N 443.485 2.477 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccnc(N(C)C)n4)CC3)n[nH]2)c1C 1889922186 BHVAFHZIXMJDIY-UHFFFAOYSA-N 449.563 2.285 30 10 IEEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900474353 FIZFTAFGQBVMED-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C=C(COCc1ccccc1)[C@H](NC)[C@H](O)c1nn(C)cc1I 1983836451 KACDMWXJHMFQIZ-RDJZCZTQSA-N 427.286 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666406 XNPPVUBSVRYILM-HOCLYGCPSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@@H](N)C#Cc1ccccc1Br 2227491758 WPPIXYPKKACVGT-JKSUJKDBSA-N 443.363 2.066 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247962511 OJVYCXMZOWVTRV-HOTGVXAUSA-N 442.387 2.445 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2248403660 HTYVVKPDEVBPHM-UHFFFAOYSA-N 437.371 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](F)C1 2255655003 GRQRXMWOQUHRLQ-HUUCEWRRSA-N 437.321 2.391 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255863311 VZJMSQIQMDWKIK-VNQPRFMTSA-N 431.342 2.442 30 10 IEEE C[C@@H]1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2256036463 YKSZYZOQHAIWIH-MLGOLLRUSA-N 427.276 2.461 30 10 IEEE Cc1ccc(NC(=O)CN(CCO)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256614549 OGXYEANBLPQDKK-UHFFFAOYSA-N 434.342 2.462 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2256677102 ACEBYOJJCOYMDR-UHFFFAOYSA-N 432.326 2.343 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267139085 AZWDLQZDVKHGEH-FOLVSLTJSA-N 448.373 2.330 30 10 IEEE CC[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267142136 PYXDJTOCEQNBGP-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267148325 YAKRJYPHYDPDLJ-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267176525 AVFTZDDGAMVLTL-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)n1 2267181947 ZQNTVOPJOBISLN-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)cc2Cl)OC1(C)C 2267359022 JKCVXBJLKFUXSM-LBPRGKRZSA-N 449.787 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267483498 TXNRCNQAUSVIIM-XMHCIUCPSA-N 447.316 2.259 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2267498300 UDVWWZJMNNEDRS-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267510518 MEXDSQXLVZZNIP-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513585 PJIJZRNNBMZZSE-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267813006 KDVQWHXALIOEOV-IUODEOHRSA-N 448.325 2.040 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267876113 KZOOWQGZKIJEGR-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CO1 2268648165 WRIOYVCAKDZESJ-LSDHHAIUSA-N 447.341 2.249 30 10 IEEE Cc1cc(CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273791985 NJZZTQRFMQZJAL-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE Cn1ncc(I)c1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2307935550 OAJFADBOTDMUKE-UHFFFAOYSA-N 426.067 2.463 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315696685 HWWPUORUNOGLLY-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc([N+](=O)[O-])c1 2331273743 PPISFAJHXLAGDM-UHFFFAOYSA-N 447.502 2.445 30 10 IEEE C=CCn1c(=N)c(C(=O)N2CCC(C(=O)OCC)CC2)cc2c(=O)n3cccc(C)c3nc21 101079502 FKYMTVJJRQNSEH-UHFFFAOYSA-N 449.511 2.038 30 10 IEEE N#Cc1cccnc1N1CCCN(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)CC1 108908974 PIRBRYYLRBRDGD-UHFFFAOYSA-N 428.452 2.148 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 111224172 ZCUPGTCKLQIJTP-GOSISDBHSA-N 426.970 2.333 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1cccc(O)c1 170262702 CUDRFCGPAYPQST-NRFANRHFSA-N 437.496 2.361 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 238959261 YHAPDCOGZOBBQR-GFCCVEGCSA-N 428.392 2.479 30 10 IEEE CCn1c(=C(C#N)C(=O)Nc2ccc(C)cc2)sc(=Cc2ccc3c(c2)OCO3)c1=O 254383818 MLEIGAWBZNAKED-UHFFFAOYSA-N 433.489 2.109 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 461749605 VHIUEMZZRHXNHF-ZWKOTPCHSA-N 436.472 2.059 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 473516965 FSIADEODHPVECG-UHFFFAOYSA-N 443.491 2.395 30 10 IEEE COC(=O)c1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(C)c1[N+](=O)[O-] 474781746 VCTJGHHPAJQMJS-UHFFFAOYSA-N 444.469 2.072 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(Br)cc2C(F)(F)F)C1=O 486070498 DXFTXNJCCLWEQF-UHFFFAOYSA-N 448.195 2.061 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 488455670 CUSSWLUSKPKHPT-OAHLLOKOSA-N 426.410 2.349 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 508464462 MLUBPYGVGVJLGM-INIZCTEOSA-N 431.537 2.314 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 508946787 UYGHOTBQNVAUCM-UHFFFAOYSA-N 449.577 2.399 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 521723271 HWQUWXRUTRVEGU-UHFFFAOYSA-N 437.449 2.147 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccnc2)c1=O 527280043 HVASGUKKUOEQBJ-UHFFFAOYSA-N 447.564 2.197 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 549733553 KQYAOPGJRCXRMJ-UHFFFAOYSA-N 442.612 2.445 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 562265511 BKDJOZACTXAMBP-QFIPXVFZSA-N 438.488 2.064 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1ccccc1)N1C(=O)c2ccccc2C1=O 585831847 YXUJGHRPFQCCHL-MNVNUKPYSA-N 431.492 2.048 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 604158118 QAKYTFYKRCKBMC-HXUWFJFHSA-N 433.984 2.106 30 10 IEEE CCn1cc([C@H]2CSCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 617880540 PNKVRPVTDHTCRV-GOSISDBHSA-N 433.559 2.025 30 10 IEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)C)C[C@@H]2C)CC1 619850333 FZUJOQAXAOJOHW-AVRDEDQJSA-N 435.576 2.462 30 10 IEEE Cc1csc([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 727949162 IUXXTVGFSGFGRN-LPCAMTDXSA-N 449.558 2.080 30 10 IEEE COC[C@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138830 NSHBXVGBPDFCTJ-CXAGYDPISA-N 442.532 2.247 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)s1 736586565 ZPJAFAPLFIKLOV-OAHLLOKOSA-N 429.567 2.034 30 10 IEEE COc1ccc(CNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1C#N 746776264 YRUBLMSHIZPEAI-FQEVSTJZSA-N 435.528 2.264 30 10 IEEE COc1ccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1C#N 746869246 RDYWCANOUFWWNB-UHFFFAOYSA-N 427.258 2.356 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 749552562 VLWONTYYSFUVKL-FAJAVTLNSA-N 427.501 2.055 30 10 IEEE C[C@H]1OCCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O 757486324 PRRCQDKACJDKAU-MWTRTKDXSA-N 448.475 2.229 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 758756296 XRXUIAVCKSBGIW-ZWKOTPCHSA-N 433.553 2.180 30 10 IEEE O=C1CCc2cc(-c3noc(CCC/N=C4/NS(=O)(=O)c5ccccc54)n3)ccc2N1 762229246 YKSCOIRWVRFGDK-UHFFFAOYSA-N 437.481 2.293 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)c1 769638111 JZNMTXUNBAYZFV-UHFFFAOYSA-N 447.582 2.351 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)C1 780607616 HQQIZDPDRYRPMG-RDJZCZTQSA-N 443.483 2.024 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCc1cccs1 790360677 MCKNCYUIYMQNJU-UHFFFAOYSA-N 429.530 2.426 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CC2(S(C)(=O)=O)CCCC2)C1=O 795172612 LTGYCDKZMIKHTD-INIZCTEOSA-N 437.587 2.420 30 10 IEEE C[C@@H]1CC[C@H]1N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 795181303 AJRWEOLJDYTYBF-WQVCFCJDSA-N 438.513 2.334 30 10 IEEE C[C@@H](C(=O)OCCCOc1cccc(I)c1)n1cnc(C#N)n1 798742832 VEBYHTDCJYKUGN-NSHDSACASA-N 426.214 2.328 30 10 IEEE C[C@@H](C(=O)OCc1ccccc1[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 798857969 ZNXJZBJLXSHVIS-NYHFZMIOSA-N 441.488 2.283 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2oc(CN3CCCC3)nc2c1 820492393 FGYFVHVXGRLYOD-UHFFFAOYSA-N 439.497 2.101 30 10 IEEE Cc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccccc2C#N)cc1S(=O)(=O)N(C)C 914679818 JQVCNEJDJNEGLM-HNNXBMFYSA-N 445.497 2.066 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 915005416 ALFRTGOYGUKNRE-BATSVXPKSA-N 435.546 2.170 30 10 IEEE CSCC[C@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916774968 IETBIKROXOKEKL-SFHVURJKSA-N 431.539 2.056 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@@H]1CCCO1 917767622 BDHQKPSNMFUXHH-SFHVURJKSA-N 433.533 2.365 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1132271247 GROXBYRLQRLBDU-UHFFFAOYSA-N 436.346 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCCc3nc(O)c(C(N)=O)cc32)CC1 1136167626 VURSRMRBPARASP-KRWDZBQOSA-N 442.516 2.030 30 10 IEEE N#Cc1cc(NC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)ccc1N1CCC(O)CC1 1137499036 PMLUQKQSHZCRDQ-FPOVZHCZSA-N 449.429 2.269 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1142404339 ATXGCCLBDPEGPM-HUUCEWRRSA-N 438.974 2.075 30 10 IEEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CCC2)cc1 1143547134 HFEZIMJPCMGISA-UHFFFAOYSA-N 441.509 2.193 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1153853049 SIUZISNCCKGOFZ-JOCHJYFZSA-N 431.464 2.123 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1160145080 BZCZSVVUQWNZFO-RTBURBONSA-N 444.553 2.396 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC([C@H](O)c4ccnn4C)CC3)ccc2c1=O 1161679528 WNOLWSIIMDFTRL-IBGZPJMESA-N 439.541 2.191 30 10 IEEE COC(=O)C1CC2(C1)CN(C(=O)NCc1nc(C#N)cs1)C[C@H]2C(=O)OC(C)(C)C 1251295474 GRCCRJKAWLXHFF-JGOZLAPISA-N 434.518 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)c1occc1C 1286273006 CWZZGVGVWZIELA-JTSKRJEESA-N 429.521 2.110 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1286288726 IPFOLCBKSYJMLA-KRWDZBQOSA-N 447.543 2.053 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1cnn(C)c1C 1286316628 DLISWAPWZYOWEX-UHFFFAOYSA-N 430.520 2.403 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1286436919 ASYZZOFVINBLMT-XMMPIXPASA-N 445.608 2.425 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(C(=O)NCC)CCC2)CC1 1286479435 SXPDIKMEZQKXTJ-UHFFFAOYSA-N 434.588 2.239 30 10 IEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1286542577 BUBFWYUTDXWPJZ-UHFFFAOYSA-N 426.359 2.214 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C)C1CC1 1286737428 LZMNIZJFPAGXJX-KRWDZBQOSA-N 448.568 2.220 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2nsnc2c1 1286768743 GJJRFBSNDKKDQS-UHFFFAOYSA-N 427.534 2.092 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)C1 1286809887 LVBXEGMGPKPKRU-QFBILLFUSA-N 441.532 2.344 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286829134 DMBYAJGTPLJSFC-QGZVFWFLSA-N 441.605 2.048 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1288517580 DOTXWMIPAWXMKZ-QYZOEREBSA-N 431.585 2.201 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC[C@H]3CC[C@@H](C(F)(F)F)O3)C2=O)cc1 1288684680 QUYRDCJQTJKJMO-OAGGEKHMSA-N 438.406 2.379 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(=O)N4CCCC4)CC3)C2)C1 1290477347 NLOTVBSWFUYKDF-FRIYVGAWSA-N 445.564 2.133 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1291782856 HQUKXGMOHSWGND-ZWKOTPCHSA-N 439.564 2.126 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)C1 1293332825 KWGUINSWBGWIMC-QGZVFWFLSA-N 431.334 2.370 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCc1cccc(OCC#N)c1 1293360660 BKEVIIJSGZYPHD-ISWURRPUSA-N 435.402 2.191 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)s1 1295233822 CAZJDDBYDSQPSB-ZDUSSCGKSA-N 436.555 2.403 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N3CCCC3)CCOCC2)CCOC1 1296525791 FIIYEUPTOPQZBL-CVDCTZTESA-N 446.596 2.171 30 10 IEEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 1297321580 GBCSNUPGJAFHFC-GOSISDBHSA-N 448.932 2.257 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)C1 1297626863 PWLLUNKRJVQUDH-IBGZPJMESA-N 440.548 2.221 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H](C)CN2CCOCC2)c1 1300332596 JOQGEFXRDDSVNN-SFHVURJKSA-N 436.560 2.180 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1300437977 BHJUYADNHKUVRU-SFHVURJKSA-N 432.528 2.366 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1300481940 CTNXNUFGQCBZOL-INIZCTEOSA-N 448.545 2.008 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300498582 LVQUELQLZMTWTA-HXUWFJFHSA-N 425.558 2.391 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1300697805 KBLGVYMUHLCRTC-PZJWPPBQSA-N 449.603 2.114 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1300973508 YNXIRHMEPQGLID-CYBMUJFWSA-N 439.504 2.260 30 10 IEEE C=CCCOCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1301259045 FOVBOPGNIOVNCK-IBGZPJMESA-N 432.613 2.301 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1301308849 LPYFXCLVKFRSNL-UHFFFAOYSA-N 432.956 2.297 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1301365499 RFMVZPFDYALJHV-NRFANRHFSA-N 431.562 2.460 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1301406404 VHCHLNYIYKYDIM-MSOLQXFVSA-N 449.552 2.180 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301496566 CXYURELWIDMHFU-HNNXBMFYSA-N 437.470 2.024 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2sc(C)nc2C)C1 1301567970 ZWIFYLPCXQALOW-KRWDZBQOSA-N 430.578 2.498 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1302055299 WMLYJMSGJGRZAF-SFGWALBWSA-N 432.569 2.391 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 1303970675 IGVNTZFCBVCOOA-UHFFFAOYSA-N 441.509 2.232 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br)C(=O)OC 1309573010 JGEWUCWAOCBQSJ-SNVBAGLBSA-N 430.198 2.191 30 10 IEEE C#CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1309997022 WYUPSAKKHQDOHU-UHFFFAOYSA-N 447.605 2.146 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358910212 HUFIQKOIZYYNGD-NRFANRHFSA-N 435.576 2.195 30 10 IEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358915166 UOMVMKUOXUSCBS-FQEVSTJZSA-N 434.544 2.495 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1359295707 LKJCAXKMZWGLCM-OAHLLOKOSA-N 448.930 2.392 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC2CCCCC2)CC1 1359297047 CIASCHLALQSIOS-UHFFFAOYSA-N 425.581 2.288 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359303714 YQZNQAQLTLNPIL-CTNGQTDRSA-N 439.560 2.379 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1359631196 SWHILCXPBOPQRO-HXUWFJFHSA-N 447.547 2.412 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1360106525 GYDZVPUFEBYMCY-UHFFFAOYSA-N 433.564 2.217 30 10 IEEE CCCOc1ccnc(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 1441631723 PAZYHPIRQUWCGC-HKOYGPOVSA-N 431.518 2.259 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CCN2CCOCC2)c1 1443407451 KRPCPMQQXUFNCM-MRXNPFEDSA-N 427.933 2.190 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)NCc2ccc(C(=O)NO)cc2)C1 1448505793 AFUBKZSEONNUBQ-OAHLLOKOSA-N 429.477 2.183 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H](O)COc2ccc(F)cc2)cc1Br 1463166389 BIVGBIBAOMOBDF-LBPRGKRZSA-N 447.257 2.317 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)ccc1CS(C)(=O)=O 1465625388 AQFYANYCERROMH-KRWDZBQOSA-N 426.510 2.293 30 10 IEEE Cn1cc(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 1466801868 FTNSCSYVAXEJSE-UHFFFAOYSA-N 438.532 2.128 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)CC2)c1C#N 1466921596 KVDXIZPKNPKXFO-QGZVFWFLSA-N 430.553 2.142 30 10 IEEE C=CCCC[C@@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)c1ccccc1 1468027824 BTFTUGJXZDRSSV-GOSISDBHSA-N 427.592 2.243 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CC2)cc1 1470630415 BGSDELSHLDJDQR-LEWJYISDSA-N 438.528 2.189 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1501406677 DXYZBBMPAPBKCW-IBGZPJMESA-N 431.500 2.348 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC(F)C1 1503272989 DOILNGWSKPBICS-UHFFFAOYSA-N 434.541 2.330 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)OC 1504580813 HVZVZANQKZHCLP-FXAWDEMLSA-N 440.548 2.171 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1505049246 XTTKVOBDFLXLQJ-GOSISDBHSA-N 440.548 2.173 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CCOCC(F)F)cc1 1505317412 TZIWCIVTNMOURA-SFHVURJKSA-N 443.458 2.200 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(O)c1 1507608066 IPEHJXMSKDHZAJ-UHFFFAOYSA-N 440.529 2.070 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)cc2OCCOC)CC1 1507733366 WRIBLMWMEFPVAZ-OAQYLSRUSA-N 439.560 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507739009 KOPWGKRMUSVAFH-MSYCTHLASA-N 429.565 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2[C@@H]2C[C@H]2CF)CC1 1507742227 CTGQAUBSRVMIFY-RBUKOAKNSA-N 425.508 2.374 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1507770033 PBSKSIICLMHUHW-JOCHJYFZSA-N 445.589 2.357 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507846318 IBRIDVZDIFCAKW-LJQANCHMSA-N 440.548 2.026 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1508022424 YTQAJEINEPFHIJ-SFHVURJKSA-N 426.546 2.478 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cccc(OC)c1 1508070991 HJNHZGBCKIEVHT-SFHVURJKSA-N 426.521 2.069 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(Cl)cc1 1510040426 DBSKJXDNJQLXKH-KBRIMQKVSA-N 430.896 2.079 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1539133288 XWSDAWOREMRPLW-LJQANCHMSA-N 434.544 2.303 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539963270 QDHBMUTWYULJON-QGZVFWFLSA-N 440.552 2.101 30 10 IEEE CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1540845361 VXSGWBPKBPECPS-MRXNPFEDSA-N 442.541 2.255 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1540868627 LZXQXEHKEMVPMC-UHFFFAOYSA-N 449.559 2.296 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(F)cc1F 1540877371 SNDQQTSVWILZMI-KXBFYZLASA-N 435.475 2.219 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540885635 MVWYFESTMBBDTF-LPHOPBHVSA-N 432.546 2.170 30 10 IEEE C[C@@H]1c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2CCN1C(=O)OC(C)(C)C 1542978264 LOQBNUOUHFKMOH-ITZAQCPESA-N 443.504 2.056 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1547944577 KQSBADOVKGNJON-IVZQSRNASA-N 426.521 2.427 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H]4CC[C@H]3CC(CCO)C4)CC2)cc1 1558057271 MQBVHRUURURTHF-PMACEKPBSA-N 431.558 2.111 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(S(=O)(=O)N4CCCCC4)CC3)C2)c(F)c1 1558505162 CQOKRFMQYHFGOO-GOSISDBHSA-N 448.564 2.330 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n(Cc2ccccc2)c1C 1560122912 KNFBGKOYMVKBRR-VQTJNVASSA-N 440.569 2.330 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC12CN(C(=O)OC(C)(C)C)C2 1565356400 ZRUXXZXDYCPTDQ-INIZCTEOSA-N 446.479 2.249 30 10 IEEE Cc1nc([C@H]2COCCN2C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)no1 1567510584 PDQYWSBZNADHPL-KXSVDRQTSA-N 431.493 2.065 30 10 IEEE CSCC[C@H](NC(=O)c1cccc(C#CCO)c1)C(=O)Nc1ccc2oc(O)nc2c1 1584903025 VPOCVUVUHHOFNG-KRWDZBQOSA-N 439.493 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1587683271 GBBPZGMJMHNOLY-FSNCLGKMSA-N 433.553 2.312 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)nc1OC 1588445680 QLIKZLOHNAGKRQ-UHFFFAOYSA-N 440.529 2.190 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)NCC)CCC1 1588446108 YLVFBQWOQDVPBP-UHFFFAOYSA-N 428.562 2.036 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)COC 1589171751 RDUGEKYWPDVLRC-HTAPYJJXSA-N 445.589 2.470 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCC[C@H]2CO)CC1 1594009670 PALTUSPRACBTFJ-IBGZPJMESA-N 439.564 2.319 30 10 IEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594824609 MWMVJGXVMMJGEC-LJQANCHMSA-N 443.573 2.497 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1594961923 GONMVKJYAYSOLK-LJQANCHMSA-N 426.546 2.096 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1595577594 YAJVVILSTZIKRI-SFHVURJKSA-N 444.967 2.487 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)C1 1595789906 DYRQHZRCGFSHQW-LJQANCHMSA-N 443.594 2.323 30 10 IEEE Cn1cccc1-c1nnc(N2CCC(F)(F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1618440698 BHDWLTQCORQAGU-FBMGVBCBSA-N 431.447 2.046 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1618889048 GDPIHSHIAGKXKM-LJQANCHMSA-N 435.488 2.024 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2nncn2C)cc1Br 1619165242 BXYCLLCSNQUYKV-GFCCVEGCSA-N 445.325 2.489 30 10 IEEE COCCCN(C)CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1619837558 GGUNBVHDHQCTQA-UHFFFAOYSA-N 440.596 2.137 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1620307700 JAIYKXZRGGTZEH-KIMSCTMESA-N 442.470 2.329 30 10 IEEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](c1cccc(C#N)c1)C(F)(F)F)C2=O 1620526325 HODBCQSYSLDUFM-WHROBYLRSA-N 437.422 2.283 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1620547994 HBYGKXSDKYMRGW-IBGZPJMESA-N 444.576 2.479 30 10 IEEE CN1C(=O)CS/C1=C\C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1627454037 FBBOCPCAPROABI-PACYTGELSA-N 435.347 2.205 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1628659973 GWDAFXUDGMELQB-UHFFFAOYSA-N 443.422 2.177 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1629547242 HHHJIHWDQJMZNR-GBXAEXGJSA-N 449.548 2.342 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)cc1 1632291910 GZNGXZAJJOZOLP-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)NCC1(C#N)CCOCC1 1640486919 DMOJQKCIBLVSQL-UHFFFAOYSA-N 427.505 2.498 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 1640893443 RQLSGGGLKFQFFJ-DOTOQJQBSA-N 427.339 2.196 30 10 IEEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1645771960 JVGDXTHOCARWKA-UHFFFAOYSA-N 428.501 2.295 30 10 IEEE COc1ccccc1N1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1648693238 UMAUUIVPRAGFER-UHFFFAOYSA-N 431.489 2.484 30 10 IEEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1653435449 QVYFLYWBHRXJBY-AWEZNQCLSA-N 443.349 2.398 30 10 IEEE COC(=O)[C@](C)(CCF)NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1659424188 CDDROUKGHMDZAR-QRQCRPRQSA-N 434.512 2.237 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)cc1 1667322037 LSZLLIZLEYFURX-HXUWFJFHSA-N 439.534 2.115 30 10 IEEE C=CCN1CCC(NC(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1668511362 YXBQZRWTDGGARF-QGZVFWFLSA-N 430.553 2.224 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C(=O)OCC)C3)CC1 1676275132 MSFYDGJKFPSTKS-UHFFFAOYSA-N 449.529 2.431 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1684350459 KQKGQNLGDZXOKU-VWLOTQADSA-N 446.599 2.202 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(OC)CCCC1 1690013495 RAEVNYCVSOCWQX-UHFFFAOYSA-N 440.573 2.270 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1690023921 MOKJCEIMPPEDAZ-RCZVLFRGSA-N 434.540 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCOCC1 1690043567 FSVRMTCJDHRNHO-UHFFFAOYSA-N 439.516 2.054 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](C)C1 1690306516 WFZHLEVEGRJNNO-MRXNPFEDSA-N 426.550 2.455 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690675069 ORTNRZHQOSATBS-UYAOXDASSA-N 443.548 2.016 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N(C)C)C1 1690713974 AUQMFWMNKQYUJS-INIZCTEOSA-N 431.562 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1690726452 AKFNRRXZHIJKLS-QGZVFWFLSA-N 443.573 2.424 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1690749826 QTIQALFNXVKCGQ-UHFFFAOYSA-N 430.578 2.280 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)[C@H]1C 1693876287 NYHOMWSYOKTTGL-HOTGVXAUSA-N 449.602 2.208 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1705490314 HXEWSOKZWZGJSR-CYBMUJFWSA-N 434.529 2.053 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705517182 QCBCQBGAKHBCSB-RTBURBONSA-N 445.593 2.034 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705526692 KHNKZHPZDGLPLG-CVDCTZTESA-N 445.571 2.219 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705569507 DIQMGVJZSVFOBQ-FQEVSTJZSA-N 430.574 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCCS1(=O)=O 1705587430 UWQPHGBIWWCORK-FQEVSTJZSA-N 440.569 2.460 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC(=O)NCC(F)(F)F 1705621149 TVQCJBRMOJQOIE-UHFFFAOYSA-N 427.402 2.272 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1705626416 VQUZKTCADOJEJL-HXUWFJFHSA-N 448.449 2.215 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C(=O)NC 1705651820 IKIXAQAVZUNSDR-KRWDZBQOSA-N 442.589 2.332 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705662115 QOSCPUXRWUTMNX-INIZCTEOSA-N 434.635 2.152 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705699626 JJSHEKFWIZFHGN-WIRSXHRWSA-N 444.580 2.096 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1 1705729497 ZXWLWMZRZQQNBZ-MRXNPFEDSA-N 432.550 2.141 30 10 IEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1 1705736121 LBJDTWSQRZWXRD-UHFFFAOYSA-N 443.529 2.428 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@@H](C)C1 1705846507 JDKYEXWRJQDXAR-KRWDZBQOSA-N 432.594 2.393 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC 1705865901 AKOKNLGPFXJTLT-UHFFFAOYSA-N 428.518 2.396 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)OC)C2)cc1 1705910210 VJSJOPKYIDCNQS-SFHVURJKSA-N 441.532 2.419 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1705964129 GLENLKDBADFUOS-INIZCTEOSA-N 439.545 2.451 30 10 IEEE CCn1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)c1=O 1710189214 DTRDXRCSCJBCJJ-UHFFFAOYSA-N 445.527 2.252 30 10 IEEE CCN1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1710244003 CYHRGQUOVQMBEH-KRWDZBQOSA-N 427.578 2.494 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710295224 DKZKOFIRIRUKDS-WZONZLPQSA-N 440.571 2.364 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC1 1710568509 FMRQUEZQMPOEEG-LJQANCHMSA-N 440.548 2.470 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1712611420 BNDMCUPQNWIRNA-WZONZLPQSA-N 441.532 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCCC2)cc1 1722370497 LXNMZAJEIWLXFD-UHFFFAOYSA-N 430.556 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@@H](F)C1 1722375892 TYAXIQRUHGVISA-IEBWSBKVSA-N 443.548 2.406 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)cc1 1722396916 FPZDMJHNXNNMTQ-UHFFFAOYSA-N 444.495 2.475 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1-n1cccn1 1723785161 GWTBKNCMKNMEEE-MRXNPFEDSA-N 441.499 2.146 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1730804942 AVRJBEUMMFEIGL-IRXDYDNUSA-N 449.515 2.221 30 10 IEEE CS[C@H](C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1731049489 YXBAVTUWIITNHF-BLIXFSHQSA-N 434.610 2.247 30 10 IEEE C[C@H]1CN(CCN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1731156372 ZIJVDHLSJYWPMG-HDICACEKSA-N 435.532 2.322 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1740534192 XPWGESHRKGKGGE-LSDHHAIUSA-N 428.518 2.050 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(C)(=O)=O 1740541977 LPBABOREDNERBF-ZDUSSCGKSA-N 425.942 2.004 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1CC(OCC)C1 1740636040 ULIUYFNBSWKAEZ-UHFFFAOYSA-N 430.516 2.199 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)c1ccccc1 1740686243 PUCITZPUUHLWFH-INIZCTEOSA-N 438.500 2.058 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1740789980 NMHVOXHXZDEQMJ-UHFFFAOYSA-N 434.928 2.057 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)NCC)CCC1 1740898915 AGBINMXCJGNDNU-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1740964249 MFWIGNHRDGKDOZ-IBGZPJMESA-N 441.463 2.469 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1741136289 MRONOLXXAWMXIQ-XHSDSOJGSA-N 430.475 2.379 30 10 IEEE CCn1cnnc1Cn1c(-c2cccn2C)nnc1N(CCOC)Cc1ccc(C#N)cc1 1746362080 AVKNISLVEFQLKM-UHFFFAOYSA-N 445.531 2.468 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1748094821 UCTDLRVUMYPRRQ-UHFFFAOYSA-N 435.488 2.052 30 10 IEEE COC1(C)CN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748484587 NSCLTLIPESMTNX-HTXNQAPBSA-N 442.907 2.350 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748643043 SZTRNIDAMUETED-OTWHNJEPSA-N 442.564 2.128 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@]2(OC)CCOC2)c1 1748689417 BZZULRJPPOVMQN-HSZRJFAPSA-N 425.533 2.437 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1749008976 DXORMRSDOSQNAO-DVECYGJZSA-N 443.592 2.079 30 10 IEEE COc1ccccc1CCN(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1749052800 IGDYBAWARZANJT-LSDHQDQOSA-N 436.516 2.369 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(CCO)Cc1ccccc1 1749115200 NFZUWMRWOXKCLI-VQTJNVASSA-N 427.549 2.396 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC[C@@H]1C 1749197316 WNQYBCINFFWQCL-LPHOPBHVSA-N 446.577 2.006 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)nc2)C1 1749697934 ORHKJWUTYWXGEU-CVDCTZTESA-N 442.564 2.221 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ncn(-c2ccccc2)n1 1749830448 KLOHTGPAPYJVMN-SFHVURJKSA-N 436.520 2.168 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1750197774 QKKZBUFTFCISJB-RYQLBKOJSA-N 433.509 2.273 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCN(CC(F)(F)F)CC1 1750909380 DBTYCPWGFDEMHJ-CQSZACIVSA-N 429.491 2.429 30 10 IEEE Cc1cnn([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)c1 1751724255 CYOJRCKWSDBEAR-LJQANCHMSA-N 448.531 2.163 30 10 IEEE C[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752062202 KWGJQEUYZYNRQA-JZRSTAGNSA-N 435.532 2.415 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1760188115 HXANJAPQQPWUKH-NVXWUHKLSA-N 432.521 2.389 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760192250 HACVRHWKOXCGOP-RTBURBONSA-N 444.557 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1ncn(C)n1 1760213654 KPICQLPTTJLFFY-UHFFFAOYSA-N 430.335 2.409 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@H]1OC 1760214095 BQIGGLXOERCNOK-DENIHFKCSA-N 436.512 2.231 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2ccccc2OC)CC1 1760263467 CBPUMPQOGQBXBG-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CSCCS2)CC1 1760268101 CGBANYITMKQFQF-MRXNPFEDSA-N 430.603 2.088 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](OC)C1 1760272746 UMYNSBXTIBQTHC-KRWDZBQOSA-N 433.965 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1760334672 KSSYMALMGZYANL-RDJZCZTQSA-N 439.486 2.344 30 10 IEEE C=C(C)COCCn1c(N2CCN(c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1760361829 UHNPBSJSBYYDJD-HSZRJFAPSA-N 442.564 2.245 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760437608 IYECQEQDSNKXQZ-INIZCTEOSA-N 435.532 2.308 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1760489277 FAWHOYNUERRLID-UYAOXDASSA-N 438.580 2.186 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)C1 1761547812 DLJWNPGADGPOKZ-FCHUYYIVSA-N 436.541 2.488 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(=O)(=O)CC)cc1 1762586447 ZTDQPUSBRNPUHK-FQEVSTJZSA-N 434.541 2.279 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1768759440 JQHDULSKWSXNSW-VGOFRKELSA-N 442.495 2.053 30 10 IEEE Cc1[nH]nc2c1[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2C(=O)Cn1ncccc1=O 1852491230 LKCASAUXIGIQJR-NRFANRHFSA-N 444.495 2.492 30 10 IEEE N#CC1(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)CCOCC1 1852540349 OXONMQSJFCLEDK-FCHUYYIVSA-N 436.556 2.354 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)cc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855734502 QLEODCFUUBYXBN-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE COc1cccc(C(=O)N2C(=O)CCc3cc(S(=O)(=O)N(C)CCC#N)ccc32)c1 1856919976 ZGLKEGZPHJNSEO-UHFFFAOYSA-N 427.482 2.349 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862562231 AURBRWVRBQOWQH-LJQANCHMSA-N 449.423 2.427 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 1862685532 YNMDXGXCSIOFFX-GOSISDBHSA-N 444.371 2.076 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862756384 NOAVJPONQJUAHV-BUXKBTBVSA-N 440.408 2.325 30 10 IEEE N#CCc1[nH]nc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C#N 1866026015 IXEVKHRHONPELG-UHFFFAOYSA-N 435.400 2.051 30 10 IEEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1870149114 GWMFXLVPCALVMW-MRXNPFEDSA-N 426.440 2.002 30 10 IEEE CCc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 1870151169 OAFVMNNGMIZOGU-MRXNPFEDSA-N 444.451 2.391 30 10 IEEE CC(=O)NCCn1cc(OCCCO)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870238043 SKBPMIWJHBRYMF-UHFFFAOYSA-N 444.557 2.230 30 10 IEEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873592013 YVTHRBCLNCCOTB-UHFFFAOYSA-N 435.532 2.105 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(N(C)C)cc2)cc1 1874292775 QGEPJUSWVLEKOF-FSJBWODESA-N 440.529 2.391 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc4nccnc4c3)CC2)CC1 1889528273 QCMJLDQDLKHILE-UHFFFAOYSA-N 435.572 2.280 30 10 IEEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cncc1-n1cccc1 1890078616 YOXCPPQXARUIRT-UHFFFAOYSA-N 435.572 2.053 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCN3CCC(C#N)CC3)cc2)C1 1890476937 DUXSKDVVGKTZBI-HDICACEKSA-N 432.590 2.319 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)cs1 1890731781 KOWRQZKXWPBWLI-ZDUSSCGKSA-N 426.489 2.169 30 10 IEEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](O)c1cn(C)nc1I 1922059526 HRZZEBOYANSODI-HOTGVXAUSA-N 427.286 2.419 30 10 IEEE C=CCC1(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1993253317 HVLRTPWIISVHTC-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060622174 WTTQTSKLUMTAGZ-NNXHMXCWSA-N 436.358 2.419 30 10 IEEE CON(CC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2060637166 HSOQDYMQAJDWKW-UHFFFAOYSA-N 434.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751772 IGUXPLPJKWTYEM-JEZSTIGHSA-N 436.358 2.442 30 10 IEEE C#CCCN1CC[C@H](NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2083718350 UXWMBIRKFIWRJG-PMACEKPBSA-N 443.544 2.227 30 10 IEEE CN(C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124536519 RCRJSJKEZUAYND-UHFFFAOYSA-N 446.353 2.178 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387154 OJLUYOCTICRSRJ-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418358 AWDHEZFTBJLMBN-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE CC(C)(C)OC(=O)N(O)CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2243678888 PHRYWAJFNZLJFG-UHFFFAOYSA-N 427.694 2.021 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2247906212 MVQKOBYJKUJXQD-UHFFFAOYSA-N 441.359 2.279 30 10 IEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247941001 CJKYVRAYIPUYJE-PMERELPUSA-N 442.343 2.342 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255657267 MNUGVNPGVMINFY-CABCVRRESA-N 432.326 2.390 30 10 IEEE C[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2255878869 GRKCQJRJFHYAST-PBHICJAKSA-N 431.342 2.366 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255886247 FFTMLSYWCLRSOC-UHFFFAOYSA-N 435.330 2.299 30 10 IEEE Cc1cc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267132039 KPJVGLMQBSLYGB-YPMHNXCESA-N 444.259 2.416 30 10 IEEE CC(C)C[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2267163995 LVPRYXUCGADKJU-MRXNPFEDSA-N 448.373 2.445 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267194155 BKOBYKAFXIMSGH-LJQANCHMSA-N 438.381 2.422 30 10 IEEE Cc1ccc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267237211 LNHKFOMEIWFJHZ-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H]2COC[C@H]21 2267561001 JYYZLGVMUQTBSS-HUUCEWRRSA-N 448.325 2.039 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267601224 RXHHYYUYMFONLF-ZWKOTPCHSA-N 446.353 2.004 30 10 IEEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267870838 IWGHLWQCQMYFEY-IEBWSBKVSA-N 436.365 2.416 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2296271040 CEZORBYPPLVXHL-KSZLIROESA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300341456 ZIVWVDAFJSTTSX-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE COc1[nH]c(=NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501317 GWHQXWXDZVWAPO-LSDHHAIUSA-N 433.358 2.384 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)[C@@H]2C1 2345724783 OXNWOEYOVJMENV-SJORKVTESA-N 449.332 2.344 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)cc1 28665697 CCWAHVNLLTYVFW-JKSUJKDBSA-N 444.509 2.029 30 10 IEEE O=C(O)COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)cc1 33781060 WQBZGBPAZKXPAA-CPHRPENTSA-N 444.444 2.239 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1Cl 97024933 SABPXDRYVINHHV-SFHVURJKSA-N 432.952 2.466 30 10 IEEE C=C(Cn1cnc(I)c1I)C(=O)OCC 379782302 NTGAUMDAEGUDBH-UHFFFAOYSA-N 431.999 2.212 30 10 IEEE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCO[C@H](C#N)C1)Cc1ccccc1 409514930 RXVPQEIHKKCUAC-JOCHJYFZSA-N 428.558 2.090 30 10 IEEE C[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1NS(=O)(=O)c1cccs1 409854270 JAVCODGTEUEAMB-QWHCGFSZSA-N 430.515 2.450 30 10 IEEE C[C@]1(c2cccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2)NC(=O)NC1=O 426326894 NJJYZIJQBCALSC-HNAYVOBHSA-N 427.258 2.498 30 10 IEEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCN1CCO 427406213 HKHHNVLFSODCDI-HNNXBMFYSA-N 442.903 2.467 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 441400850 LSXVMQFOUNWQDN-GOSISDBHSA-N 447.916 2.135 30 10 IEEE C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 472915886 PZQPLFQOKKMBKG-HNAYVOBHSA-N 443.467 2.221 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@@H](c4cccc(O)c4)C3)C2=O)cc1 484931475 BXRCPOXYYWZQAU-VQTJNVASSA-N 434.452 2.069 30 10 IEEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 487212890 VRDGADKRHPSPTQ-NRFANRHFSA-N 436.560 2.158 30 10 IEEE CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(c2ccccc2)C1=O 488291241 WAIZLJQKHPBXFU-SFTDATJTSA-N 431.496 2.106 30 10 IEEE Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O 489090221 UUXNIPZUBQFGHU-INIZCTEOSA-N 439.472 2.435 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)CC1 492372346 AEBJMCCYOFDUQE-UHFFFAOYSA-N 444.557 2.196 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)CC1 503641058 BUGQZTMJNIIKFD-UHFFFAOYSA-N 443.305 2.105 30 10 IEEE Cc1nn(C)c(C)c1-c1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)n[nH]1 503734132 JPIXBTFDEXZIIE-GOSISDBHSA-N 435.513 2.453 30 10 IEEE COc1ccc([C@H](CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)NC(C)=O)cc1 504144998 RHUCOZHCSURDPO-VXKWHMMOSA-N 434.496 2.446 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(CNS(C)(=O)=O)CC2)n(-c2ccccc2)c1C 510245808 XTVRHDOKCAOEBA-UHFFFAOYSA-N 443.573 2.166 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 512452919 CVKCXXYHNZNKRU-MRXNPFEDSA-N 438.454 2.118 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 515126754 GECCLLOLPGTSQP-IRXDYDNUSA-N 444.557 2.090 30 10 IEEE CN1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 536262927 JMUVMYOFFCMBBR-TUNNFDKTSA-N 431.496 2.325 30 10 IEEE COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)C3CCC3)n(C3CCC3)c1=O)OCO2 562385472 BWXOVLOSPFUSFO-UHFFFAOYSA-N 438.505 2.244 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccnc(C)n2)CC1 565375952 ZXOYSMZJGKNTBF-UHFFFAOYSA-N 438.561 2.271 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CNc2ccc(-n3nnnc3C)c(C)c2)nc1C 586322151 ZEMDMRJTNZCGSS-UHFFFAOYSA-N 427.490 2.437 30 10 IEEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)n1 612731176 CTLXVRLFRIFUJG-UHFFFAOYSA-N 443.467 2.131 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccccn1 730138063 ITSKVJMKMKTQPS-LJQANCHMSA-N 441.557 2.290 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCc3ccccn3)c2=O)cn1 735067992 BXITUIATEDBYHU-UHFFFAOYSA-N 449.580 2.272 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCNC(N)=O)c1 736107821 MYGKJQRMIFIOSY-UHFFFAOYSA-N 436.921 2.119 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1N 750411487 IRVZGQVSQJAAKK-CQSZACIVSA-N 445.497 2.173 30 10 IEEE CCC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)C1 761852093 GMEBTTZLYCSJCO-SJLPKXTDSA-N 439.541 2.169 30 10 IEEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 774147853 XUTXRTSUODFQQF-CTNGQTDRSA-N 433.574 2.054 30 10 IEEE CCC(=O)NCc1cc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1OC 781521632 DYMNMXZPYGWIBT-UHFFFAOYSA-N 441.509 2.130 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 790104997 ANFXCVZJRGWNDH-UHFFFAOYSA-N 435.933 2.151 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCSC2)C1=O 790283918 WRJUZSLMENVIND-QAPCUYQASA-N 445.614 2.311 30 10 IEEE NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccnc2F)cc1 794441331 OMFPEIAUKYZJPT-INIZCTEOSA-N 441.488 2.120 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 794983389 QAZWPCKHHTXXIL-SIKLNZKXSA-N 435.528 2.187 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797426819 NVRXACLISVCMIM-RCCFBDPRSA-N 445.589 2.278 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cnn(C2CCCC2)c1 799871167 NUWVMTXCOTYPIH-UHFFFAOYSA-N 431.566 2.165 30 10 IEEE COc1cc(OC)cc(C2(F)CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1 802142745 DPEIHEHTHBWWEH-VXPUYCOJSA-N 446.479 2.200 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 809890120 UDNKIQXCBCAHOQ-JKSUJKDBSA-N 435.525 2.162 30 10 IEEE CS(=O)(=O)NCCN1C(=O)/C(=C\c2ccc(C#N)cc2C(F)(F)F)SC1=S 811624506 HBTIDKKPYNBBFS-KPKJPENVSA-N 435.474 2.327 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 916178307 QURSXRYITBQLFE-QGZVFWFLSA-N 426.498 2.448 30 10 IEEE CCN(CC)c1ccc(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)c(O)c1 1083988916 ZXUGLGZMXFKIHR-UHFFFAOYSA-N 440.552 2.306 30 10 IEEE CN(CC(=O)Oc1c(F)cc(C#N)cc1Br)S(=O)(=O)c1cccnc1 1131398830 CCTFFBQDAJWNBB-UHFFFAOYSA-N 428.239 2.081 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCc4ccc(C#N)cc43)CS(=O)(=O)[C@H]2C1 1138025969 ZPPWEMWUHLDBNS-LMMKCTJWSA-N 445.541 2.118 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)n1 1143259818 SXTIVNNBUDRIPD-BFHYXJOUSA-N 432.575 2.434 30 10 IEEE CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1148817659 NIRUPEIADGXLCJ-UHFFFAOYSA-N 433.461 2.476 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@H]1CCCO1 1157552612 MARKNYHQNPIORZ-ZWKOTPCHSA-N 449.573 2.082 30 10 IEEE CCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](COC)C(=O)OCC 1169262002 SWJTYPLLSVPMST-GOSISDBHSA-N 428.451 2.463 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCc2ccccc21 1177331324 HEKSVMUUFXIJLN-IBGZPJMESA-N 440.569 2.319 30 10 IEEE CC[C@@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCOC1 1197256421 QKMNPLYUWGUNMF-DLBZAZTESA-N 427.505 2.250 30 10 IEEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CC1 1210111149 HZXRHCMPKLHAPG-UHFFFAOYSA-N 425.510 2.032 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)c1ccc(F)cc1 1230478582 KEQPLIMIGFPMMD-NRFANRHFSA-N 426.467 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1286272807 DNLPQDXLNIELCE-LBPRGKRZSA-N 442.321 2.046 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1286385903 QVNLRPYXWQLKIN-JKSUJKDBSA-N 435.525 2.031 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCOCC1 1286463329 MMJMSZGGWWITIP-KRWDZBQOSA-N 447.967 2.414 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)N(C)CC)CC1 1286473759 SUGMVFCMAFEAHQ-KRWDZBQOSA-N 440.617 2.365 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)C)CC1 1286566687 SQWFHWTXQOGGEO-XMSQKQJNSA-N 430.597 2.349 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286611190 GLUPTBFWJYRTFY-IBGZPJMESA-N 432.569 2.450 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286684326 HBLVFQBVFJTKIO-GOSISDBHSA-N 433.582 2.039 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(C)c2)CC1 1286820929 VZCZPSQWCKAUKM-IBGZPJMESA-N 445.589 2.018 30 10 IEEE CC1(C)C[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1289005712 HQYCSFLHOJHQKE-SFHVURJKSA-N 428.562 2.335 30 10 IEEE COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cn1 1291831306 AXERGEVABQESLY-FCDQGJHFSA-N 433.534 2.375 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)ccc1F 1300079235 VYBNNPSIPFDLOW-CQSZACIVSA-N 427.523 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1Br 1300545692 VEBXWESOLAKLIF-UHFFFAOYSA-N 426.318 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C1CC1 1300560734 ITKWVJVBKUMHGT-HXUWFJFHSA-N 426.542 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(-n2cncn2)c1 1300596542 SWQJTQLBVXWLFP-UNMCSNQZSA-N 445.527 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cnc(C)s2)CC1 1300721782 AFRIVXAQOQTSOS-SFHVURJKSA-N 428.562 2.299 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1301071208 ZOFCOLSDYMCCSI-REWPJTCUSA-N 433.597 2.443 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301257470 ADCWYALTYCOUJZ-SFHVURJKSA-N 434.585 2.395 30 10 IEEE COCC1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301304249 MCWZOHJMCRLBJO-VZCXRCSSSA-N 440.504 2.236 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1302098833 QYZCJCPLNKBCJS-DOTOQJQBSA-N 443.504 2.286 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1313704150 HGAZNROLGONXGU-KRWDZBQOSA-N 425.537 2.195 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCC[C@@H]1C 1313824507 DWVDPGUOMNTCIE-KKSFZXQISA-N 431.562 2.239 30 10 IEEE CS[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1316380082 CORUZSPITVETEM-ZTFGCOKTSA-N 426.546 2.430 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1358995305 LVRNJKOJRWTXQB-UHFFFAOYSA-N 440.486 2.495 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1359033401 AQAULKZAUGEOKP-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359131112 IEKPDMIMSAFLIV-UHFFFAOYSA-N 431.541 2.328 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359192616 KCAPTSDJKDJASL-WMZHIEFXSA-N 433.597 2.442 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1359263301 XOWLDLRCNDGOTE-HKUYNNGSSA-N 444.605 2.452 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1359470703 DGDBUWKZQMRQFU-SFHVURJKSA-N 432.532 2.218 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1440682238 HWYLHVMJXFBTGK-PWHSHALESA-N 446.523 2.295 30 10 IEEE COc1cccc2c(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)cnn12 1441239353 IZYGFBJNISBGGD-UHFFFAOYSA-N 433.447 2.484 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](CO)Cc3cccnc3)C2)C1 1449037842 ARWXTUDKXOZXNG-NUXKCHKQSA-N 428.533 2.136 30 10 IEEE C=CCCC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OC 1455835963 NNGSXSIQGCWIHH-OAHLLOKOSA-N 432.336 2.378 30 10 IEEE CON(C)S(=O)(=O)c1cc(C(=O)Nc2ncc3c(c2C#N)COCC3)ccc1Cl 1461015287 MXGQJTDNKVSMOP-UHFFFAOYSA-N 436.877 2.114 30 10 IEEE C#CCN(CC(=O)N[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 1463786147 VLPRJVYZQKJVEM-MRXNPFEDSA-N 434.489 2.295 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)C1 1464495228 JRROHVSPVNELJI-CQSZACIVSA-N 440.363 2.100 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1464564530 YVRYHDJNZBRLDU-LJQANCHMSA-N 433.917 2.066 30 10 IEEE C[C@@]1(CO)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c2ccccc2O1 1473695372 MRTYBAHIOXGZQO-URXFXBBRSA-N 438.503 2.185 30 10 IEEE CC(C)[C@H]1C[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1478668939 ABFLIPMNWNFJNE-AZUAARDMSA-N 434.562 2.025 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)SC)CCN2C1=O 1502213631 IEKJBUAYNHVOJH-WMLDXEAASA-N 439.545 2.041 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1504579103 AJBHPOATYYPGCO-ZWKOTPCHSA-N 445.520 2.131 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507558088 VLHCUUDUSXWXFM-OALUTQOASA-N 447.609 2.347 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(=O)Nc2ccc(F)cc2)CC1 1507733688 IGRKDGPZOZHBIT-UHFFFAOYSA-N 426.496 2.145 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2ccn(C)n2)CC1 1507734428 MXAOWAKPVMWLNP-UHFFFAOYSA-N 445.571 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1507734844 ZWZRIQZTFZCJKN-UHFFFAOYSA-N 442.470 2.064 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCCc2ccccc2)CC1 1507903874 HUZGHDREYZTLOL-UHFFFAOYSA-N 436.560 2.162 30 10 IEEE C=CCn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508067902 RTDXBLYMGNPSCD-JOCHJYFZSA-N 443.552 2.020 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1508104143 IPNGVIYVZQDHAW-UTKZUKDTSA-N 445.520 2.235 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1509556485 JHJRTCOULPZJOM-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE CCn1cc(Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)cn1 1515779376 ALCRVGKRZIPYRG-UHFFFAOYSA-N 436.568 2.081 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCSC)C[C@H]1O 1517690083 ODEDLVDSVLJVHF-QZTJIDSGSA-N 429.546 2.320 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)o1 1521095806 QERNNMAMICOBMF-DZGCQCFKSA-N 438.410 2.290 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(Cl)c2)CCO1 1521120799 AKZQMJZSBBQDJX-OAHLLOKOSA-N 448.886 2.114 30 10 IEEE CCN(CC)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1537005605 JQPUCYZVQBSEAN-YQVWRLOYSA-N 443.491 2.485 30 10 IEEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)cc1 1537093484 QAVVBTUSWKKDJA-INIZCTEOSA-N 431.233 2.476 30 10 IEEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1538931768 QISAYFUNFVDPGW-KRWDZBQOSA-N 427.844 2.460 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1539088962 CLRPNEZFXSJTEX-UHFFFAOYSA-N 436.545 2.118 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1539206636 SSZBWWOKUXKTSP-OAQYLSRUSA-N 429.590 2.103 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539619391 FMBNFEOKHBCKTA-QUCCMNQESA-N 433.578 2.291 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1)c1ccccc1 1539758829 ADTAPDZGQAXEEZ-HXUWFJFHSA-N 438.576 2.384 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540028731 SITOZHLTXIPJAA-GOSISDBHSA-N 426.521 2.102 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1540074493 ZBPSXNZJVASIQC-RTBURBONSA-N 446.573 2.327 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(N(C)C)cc2)C1 1540895306 PIVXIOUFKFKUFR-NRFANRHFSA-N 438.576 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1C(C)(C)C 1540908867 PVROXHRIDNDWNK-UHFFFAOYSA-N 439.626 2.260 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1540920196 QTMZVZDZHKDIJI-UHFFFAOYSA-N 426.546 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1542123846 UYKZHQBZWSNUTD-DLBZAZTESA-N 444.598 2.284 30 10 IEEE Cc1noc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)n1 1543429086 GISKZEANMUZKLP-IBGZPJMESA-N 444.496 2.036 30 10 IEEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)N(C)C)n1 1548375350 ITTVIOYDCZJLPN-GOSISDBHSA-N 448.449 2.213 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc(C(C)(C)C)ncc3C2)s1 1557620051 LEIPXTCVDBWQOK-UHFFFAOYSA-N 434.587 2.427 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](N(C)C)C12CCC2 1557694396 MIECDQDVOQYJPL-QXAKKESOSA-N 432.590 2.273 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1 1558835976 MMBYVVSNNZXCTF-QZQOTICOSA-N 427.892 2.160 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)CN1CCOCC1 1587599486 OCMXEOBNRFJYDZ-QZTJIDSGSA-N 427.549 2.389 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1587678068 ODUVLISTRAXMHE-CVEARBPZSA-N 439.582 2.243 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1588045733 PPIMOBONZPMCJA-MRXNPFEDSA-N 436.965 2.388 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588059497 OZKSRDJRCGAEAY-SFHVURJKSA-N 448.564 2.450 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1588064372 HEHAVWHAWJRAIV-LJQANCHMSA-N 439.541 2.149 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1588074616 PBWZSINXIBCUAF-ZWKOTPCHSA-N 442.564 2.135 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1588180465 GJGDJEHFNYLGGD-OAHLLOKOSA-N 449.964 2.062 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1588205429 LCJWUAVNVFOVBZ-VQTJNVASSA-N 438.528 2.355 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C(C)C 1588472444 GCBUANMOCKESGP-UHFFFAOYSA-N 440.523 2.065 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc(-n2cncn2)nc1 1588673689 XGBNKRGQAMFASH-UHFFFAOYSA-N 434.529 2.040 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(COC)CC1 1589028094 YDNYARVXARAPKN-UHFFFAOYSA-N 436.545 2.070 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1589164093 PQCXJUMBFUDBLO-JVODISISSA-N 445.608 2.422 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594812178 CUIBCTMRGIZSTM-APWZRJJASA-N 448.545 2.007 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1594830613 ZJGPLMYRLWTNRA-GOSISDBHSA-N 428.537 2.111 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@@H]1C 1595127283 LOPKJUCFSRBCMC-QRFQSNJMSA-N 429.496 2.101 30 10 IEEE Cn1nc(I)cc1C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1595544097 XWGPRQNKQJXXLU-UHFFFAOYSA-N 432.225 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1595777451 MYLRYOJGYQYWER-MSOLQXFVSA-N 442.589 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(=C)CC1 1595823833 STUVOJCUQMMIGO-UHFFFAOYSA-N 427.530 2.486 30 10 IEEE CCn1c(CCC(=O)N[C@H](C#N)C2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 1596434194 KIVZSGZMQQOYJP-GOSISDBHSA-N 431.562 2.438 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1611625047 DVSQRHANDOZGOQ-VBKZILBWSA-N 430.488 2.338 30 10 IEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1612319967 GQWAIKFFBZVJND-KRWDZBQOSA-N 431.500 2.147 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2nc(Br)c(=O)c3ccccc32)c1 1613659160 MEVWJCZTHWXOKP-UHFFFAOYSA-N 425.242 2.489 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1614909272 BEVSPDNEDXCISZ-HXUWFJFHSA-N 449.559 2.086 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615096125 ZRONERYYAQTBEK-UHFFFAOYSA-N 431.500 2.267 30 10 IEEE CCN1CCN([C@H](C)Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1615846344 XOJVYWRTMMTGHW-MZKRTTBSSA-N 447.628 2.083 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)(F)F)cc2)CCO1 1620354851 DGJWTCZMFQKQDT-OAHLLOKOSA-N 431.378 2.411 30 10 IEEE CCS(=O)(=O)c1cnc(O)c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 1621068116 WVDFEWJOJJDKRD-AWEZNQCLSA-N 429.376 2.474 30 10 IEEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)cc1 1621707579 BEDWDNCFVOCDCH-UHFFFAOYSA-N 427.526 2.227 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1623928725 AEXRQKULMVQOAT-UHFFFAOYSA-N 426.420 2.360 30 10 IEEE Cc1cc(C#N)cc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1626380042 XUYZYDYSUGMWFC-KBAYOESNSA-N 433.530 2.475 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1626466224 AHEAGVDPMQGNPE-UHFFFAOYSA-N 442.495 2.418 30 10 IEEE C[C@@H](C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)NC(=O)OC(C)(C)C 1627424787 GPRWYUBCZIUFSX-CABCVRRESA-N 438.550 2.300 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@H](C)O)cc1 1627683531 YMQHKHMBGMUZDM-JXFKEZNVSA-N 427.526 2.090 30 10 IEEE C=CCC1(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CCOCC1 1627803992 NQZSCKNRYMBEEB-UHFFFAOYSA-N 443.588 2.261 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1CC1 1629022656 XEIYAYDKQMIXPH-KHQOZGCUSA-N 439.578 2.197 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](Cn2ccnn2)C1 1629096620 TVHJSEIDINLOTH-CYBMUJFWSA-N 434.294 2.238 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)c1 1632205003 AXFHCMBDWILXMR-UHFFFAOYSA-N 438.546 2.097 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1636512294 AOKJZNBCOGRXPR-HRAATJIYSA-N 441.465 2.184 30 10 IEEE C=CCOC[C@H](NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC 1639558071 BWDUEBHTKXFJQI-IBGZPJMESA-N 432.517 2.383 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c1 1640278430 HENAFJUSOROOKP-UHFFFAOYSA-N 439.415 2.490 30 10 IEEE C#C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1 1643855324 VPCFGSKKSVESRQ-QGZVFWFLSA-N 432.542 2.136 30 10 IEEE C#CC[C@]1(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CCCN1C(=O)OC(C)(C)C 1647893349 WMTZQNSHXGYBTP-DNQXCXABSA-N 448.560 2.476 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3OCC)CC2)c1 1651766144 GQCWFHNNLLAHDI-UHFFFAOYSA-N 427.526 2.240 30 10 IEEE COC(=O)[C@@H](COC1CCC1)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1662826213 DCUOBHIREZMNNX-CQSZACIVSA-N 449.298 2.191 30 10 IEEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1667879669 IHKSBQPLQYBDLK-INIZCTEOSA-N 438.550 2.325 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1673741382 JDCSMDVHNLCKKQ-HIXSDJFHSA-N 433.578 2.356 30 10 IEEE CCOc1ccc(N2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)nn1 1674968044 HNSVCHMFTTYBHU-UHFFFAOYSA-N 435.532 2.248 30 10 IEEE CCOC(=O)C[C@H](C)CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1679743565 RQDKBHIDBZKIGA-AWEZNQCLSA-N 430.484 2.286 30 10 IEEE Cn1cc(Br)c(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 1681255431 KSGTVKYZNBRZRD-UHFFFAOYSA-N 431.338 2.472 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1685267414 YFJUDZYWWFDVCQ-RBUKOAKNSA-N 434.581 2.284 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1689986171 KFRSVDSHKUPRHY-PXNSSMCTSA-N 431.587 2.253 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1690088819 XMYLSZSCLSEADH-KKSFZXQISA-N 434.537 2.120 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1nnc(C)s1 1690104105 MTIMMMAMISMISB-GOSISDBHSA-N 440.529 2.279 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1690165596 CYYKAKBOEFHNEF-MRXNPFEDSA-N 443.573 2.386 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690495972 JCXMHOZUVHPPQJ-JLMWRMLUSA-N 430.553 2.454 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1690497406 PDEJTLCSVUFZAC-HXUWFJFHSA-N 438.532 2.459 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690533766 VLCMTAMKTHYVBQ-JOCHJYFZSA-N 448.589 2.326 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1690671222 RADKHYONXCSBFR-PZJWPPBQSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690677257 SKGZQPUVHBTLGX-MSOLQXFVSA-N 441.532 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Cl)ccn1 1690723968 FIHIXCHHGFENRZ-AWEZNQCLSA-N 425.942 2.068 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690748789 HNGRFXQMEINKAW-QUCCMNQESA-N 428.606 2.340 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1696588474 HAGHAZDLTFJMJW-GOSISDBHSA-N 449.490 2.487 30 10 IEEE CO[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1697138284 MCILACSTSCOBEN-MSOLQXFVSA-N 449.481 2.408 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCC1 1705481042 YTDSZNKYVYHVNE-LBPRGKRZSA-N 440.367 2.461 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1CCN(CCN(C)C)CC1 1705497884 JMIYRURHWLRPKM-KRWDZBQOSA-N 429.638 2.365 30 10 IEEE C#CCCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705521910 PHGRUNGLCKRGSU-RXVVDRJESA-N 438.594 2.136 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705534410 HQACJOXWXCOOQO-FHWLQOOXSA-N 435.594 2.041 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1705566225 MLLSGDBKFYMHBV-GOSISDBHSA-N 439.541 2.347 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)CC1 1705640310 NANIHASEUGEQBI-LJQANCHMSA-N 446.596 2.388 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705753797 JMGKHZLVPTUASJ-IXDOHACOSA-N 425.961 2.292 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705828769 YFOQKLFLMDKMQZ-SFHVURJKSA-N 427.553 2.448 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1705844106 WCQDHFCLJUGEHH-UXHICEINSA-N 429.590 2.467 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOCC2(C)C)CCOC1 1706660359 ICECZCHIWOYEGO-GCJKJVERSA-N 434.585 2.168 30 10 IEEE CCOCc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1710728140 WJZNFJYPUATWGI-UHFFFAOYSA-N 427.509 2.055 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(N(C)C)CCCC1 1710735502 LJINVDHLCUTCDS-UHFFFAOYSA-N 438.580 2.282 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1722277358 MYBJXBWTQUBLBI-GJZGRUSLSA-N 447.561 2.053 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC(=O)N(CCOC)C1 1722407090 YLSRHCUSMQBIDZ-SFHVURJKSA-N 447.543 2.290 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2c(C)cccc2C)C1 1722708993 HOPJDUHKQUVBJE-GOSISDBHSA-N 440.548 2.453 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(C)(C)O)cc2)C1 1722709652 VCWHVEQQFJCBGT-LJQANCHMSA-N 427.549 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(CCC)CC1 1722726403 DXZWXCXHHWYNHX-LJQANCHMSA-N 439.626 2.431 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1722738445 JPHVUNIOOWGYCX-OAHLLOKOSA-N 435.623 2.442 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1723790719 OXUAYBYGVYVFMY-XMTFNYHQSA-N 436.582 2.072 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H](C)CN1CCOCC1 1727592722 AVVLLJICEGTFBV-HXUWFJFHSA-N 437.592 2.397 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)[C@H](C)CC 1727658165 CBKMAMBVMNYJLT-HFXUHXBXSA-N 440.548 2.241 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740617916 YXXWTUGJASDUGF-CADBVGFASA-N 438.594 2.065 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1740622376 CAIUKCRZZCEJKW-LJQANCHMSA-N 444.557 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740638093 DJYDYCIUKXXCPH-PMACEKPBSA-N 429.590 2.213 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCOC1 1740650422 ZOZLOTJEIIVZQC-SFHVURJKSA-N 435.347 2.383 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1740662316 JKUIIZYIFJGWPS-IBGZPJMESA-N 432.546 2.389 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC1 1740699429 GQXXDXKQEOYVRF-HXUWFJFHSA-N 445.951 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1740704199 JWGLPGBXVLQKKX-NHCUHLMSSA-N 434.544 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(OC)CCCC2)CC1 1740705439 HDXSNMMFTNVSSF-LJQANCHMSA-N 429.565 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1740708094 BDOVOXRGMQNPEF-SFTDATJTSA-N 443.592 2.028 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740985095 BFXLVNMBZJWHKM-HZPDHXFCSA-N 427.571 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C)C1 1740994380 QQIKGBDVVCRZFC-HZPDHXFCSA-N 438.525 2.211 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1741133343 PUIFWQXWJLZVBM-ZNMIVQPWSA-N 448.618 2.406 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1nnc(C)s1 1744050476 GRJOJXOUBLWXHV-LJQANCHMSA-N 434.545 2.431 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCNC(=O)c1ccc(C)cc1 1748896630 IUHYMKPVJKJDMW-UHFFFAOYSA-N 426.524 2.465 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2o1 1748962879 SYGNILQKZRLTEG-GOSISDBHSA-N 442.541 2.255 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCc2ccccc2)CC1 1749019948 GQXCFIPEVIQIEN-UHFFFAOYSA-N 440.617 2.147 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC 1749133402 LLYBYIVJMKFGLD-IEZWGBDMSA-N 430.578 2.330 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749269843 XRXVFDYSJSBOOS-HZPDHXFCSA-N 431.990 2.032 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750560899 CZMVLPCIAFGPGB-UHFFFAOYSA-N 446.515 2.037 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[C@@H]1CCCCO1 1760199570 ZUSYDFFTMFGUNZ-NRFANRHFSA-N 430.516 2.343 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(Cl)c(OC)c2)CC1 1760257335 UIQPUMHOMSDLNL-KRWDZBQOSA-N 447.967 2.468 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(C)COC2)CC1 1760259134 ZESVEBCGYZYQLM-UHFFFAOYSA-N 430.350 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@](C)(O)CC)CC1 1760271486 ZJNWUPDROUPITI-RUZDIDTESA-N 448.571 2.408 30 10 IEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1760274989 XIFOIQWPPAAFMC-MRXNPFEDSA-N 443.529 2.066 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1760515483 VCUANLWWSKZOQF-QGZVFWFLSA-N 449.490 2.361 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CC(OCC)C2)C1 1760546402 NUTXSLYLLWIBFR-XPQZIERPSA-N 433.578 2.345 30 10 IEEE CC(C)Oc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1761298615 FKUBBZRVADHWBH-UTKZUKDTSA-N 447.536 2.458 30 10 IEEE Cc1ccccc1CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1762124322 SXPNGIOSBWIEHN-LSDHQDQOSA-N 446.515 2.150 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1768281169 NMMHJECGPHXLQA-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE COC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1769245960 AEIQOTGLSGVPBI-GHTZIAJQSA-N 425.468 2.234 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccoc1 1770043018 SOYPEQKVFAMJSQ-KRWDZBQOSA-N 437.504 2.237 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1csc(C)n1 1771219736 RIQPVWPLYLPDAU-DNVCBOLYSA-N 445.593 2.186 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CCCSC2)cc1 1771533900 DEBHGVXEGKNCAD-QGZVFWFLSA-N 431.587 2.441 30 10 IEEE Cc1cccc(-n2cnc(C(=O)O[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)c2)n1 1852005200 CAQIOKNCPANJPX-OAQYLSRUSA-N 447.495 2.384 30 10 IEEE Cc1ccc(Cn2nnc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)c2C)cc1 1853223018 JBANMNCWOPCPEU-UHFFFAOYSA-N 429.424 2.427 30 10 IEEE NC(=NOCCC(=O)N1CCN(Cc2cccnc2)CC1)c1ccc(Br)cc1 1853444439 KMBMSJUARRPTRU-UHFFFAOYSA-N 446.349 2.216 30 10 IEEE C=C[C@H]1CCCCN1[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 1854558077 DHGSKKCHHZMOQR-ICSRJNTNSA-N 433.574 2.499 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 1857018547 JVMISOMYJGXDSG-OAHLLOKOSA-N 443.447 2.259 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862694453 KCFXMICHZCCOFD-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870605181 RVQDYQUJGVQVMC-UHFFFAOYSA-N 425.529 2.329 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(NCCN3CCOCC3)ncnc21 1873616395 NFBHDRKKYRGFJL-UHFFFAOYSA-N 446.515 2.490 30 10 IEEE Cc1nc(C2=C(N)N(c3cccc(C(=O)OC(C)C)c3)CC2=O)sc1C(=O)N(C)C 1873920283 HLZNWEITJKBJAV-UHFFFAOYSA-N 428.514 2.435 30 10 IEEE COc1cc(/C=N/n2c(C)nnc2SCC(=O)NCc2ccco2)cc(OC)c1OC 1874532008 MWHRBIHRBJNQEC-LSHDLFTRSA-N 445.501 2.496 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(n3nccn3)CC2)[C@H]1c1ccc(C#N)cc1 1892111026 IEMYASNKLXPXLH-NHCUHLMSSA-N 438.557 2.407 30 10 IEEE C=CC1(NC(=O)[C@@]2(CO)CCCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993244020 OHJQWFKTCQFSOU-NRFANRHFSA-N 425.526 2.040 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1993278735 WFDKBONJSXRGRO-JKSUJKDBSA-N 427.542 2.192 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2060641817 NLMGHZLQFSOLIH-UHFFFAOYSA-N 431.342 2.133 30 10 IEEE CC[C@@H](C#N)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 2060786146 QIGQAVKJVLPXKP-NRFANRHFSA-N 443.592 2.460 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2216866753 DZOSSQIPTQIPRH-DRRXZNNHSA-N 439.553 2.046 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2244374968 COHOURLPEDFACZ-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2255955169 JNXYBWBOUGGWHC-PMACEKPBSA-N 448.394 2.089 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256023195 MGGOJTDJASKRCG-MRXNPFEDSA-N 433.358 2.298 30 10 IEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N(CC(=O)O)Cc2ccccc2)OC1(C)C 2256907293 SWFHSQUACXAOSA-UHFFFAOYSA-N 449.309 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266993565 JHMCMHCUJOCBJL-LESCRADOSA-N 443.353 2.366 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267147177 SGQYHWKDTDZNDG-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267147809 XOPRNKSOOXUWIP-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE CO[C@](C)(CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)COCc1ccccc1 2267167637 JAPMBNVWGMAOFP-HSZRJFAPSA-N 441.337 2.128 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1CCOCC1 2267264001 MFASRTNDYIBQPX-UHFFFAOYSA-N 440.353 2.183 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2C1 2267265756 KFXLEIPVUIUREL-CALCHBBNSA-N 443.353 2.320 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267291368 PEKVZMFZJMUKBP-MRXNPFEDSA-N 449.357 2.070 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2267496745 CYZLBFIUODZZNW-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE C[C@H](O)CN(CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267587665 AMPXNJJCOJZTTF-INIZCTEOSA-N 448.369 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267829442 TWGGMYYMPCEUPS-UHFFFAOYSA-N 445.369 2.394 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872017 RFBGNMVSFSANJC-PKOBYXMFSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268631546 ZSFPTUUVRCSYGD-GOSISDBHSA-N 446.353 2.151 30 10 IEEE Cc1cc(S(=O)(=O)NC[C@@H]2CSCCS2)sc1B1OC(C)(C)C(C)(C)O1 2282835155 PXJNJYKBKYYUPD-GFCCVEGCSA-N 435.467 2.483 30 10 IEEE COc1ccc(OC)c(C=C2Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)c1 2293031522 JEADUCZGQIKMPS-UHFFFAOYSA-N 440.496 2.136 30 10 IEEE COC(=O)c1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327901977 ISSGBNIDNJJFLK-MRXNPFEDSA-N 445.545 2.146 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2OC)cc1 2329260288 DJOWQWFKCRHFGX-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2334263058 GPPJVOXMKWEZDZ-YXWQFLTLSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC[C@H]1C2 2343634854 BJCFSQXNYRAVKK-RCDICMHDSA-N 444.341 2.048 30 10 IEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Br)cnc1C#N 2369306691 MVJXPSLFLFWEKN-CYBMUJFWSA-N 438.326 2.278 30 10 IEEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1 20527595 MBKUZUMBVIRESG-SSDVNMTOSA-N 428.497 2.374 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccnc3OC)nnc12 31321480 BIOVUYKBICHPIL-UHFFFAOYSA-N 436.497 2.042 30 10 IEEE COc1ccc(/N=C2\S[C@@H](C(N)=O)CC(=O)N2CCc2ccc3c(c2)OCO3)cc1 58942287 JIZDPRAZTOXJQE-GLEDVZQVSA-N 427.482 2.474 30 10 IEEE C/C(Cl)=C/Cn1c(NN=C2C(=O)N(C)c3ccc(C)cc32)nc2c1c(O)nc(=O)n2C 254557453 ZCLPOOYKFAEKKL-XDLKDDGTSA-N 441.879 2.079 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1cn(C(C)C)nn1 427066610 GFSQIZRQZUHRFE-KRWDZBQOSA-N 430.490 2.123 30 10 IEEE CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 428381151 MNASLBBYJJDSCY-HNNXBMFYSA-N 427.404 2.425 30 10 IEEE Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2 463344698 JUQDSJLGDGMVKR-HXUWFJFHSA-N 425.510 2.012 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)c1 505117685 AGZWNPSMNDTPAB-UHFFFAOYSA-N 438.484 2.134 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 508916950 AOCPDAKTKCWMDQ-LPHOPBHVSA-N 444.967 2.204 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508953000 SOGQARSQMOMGCL-QFIPXVFZSA-N 427.505 2.263 30 10 IEEE Cn1c(N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c(C#N)c(=O)n(C)c1=O 513098864 MXKFNIWTDQMRBY-OAHLLOKOSA-N 426.521 2.236 30 10 IEEE COc1ccc(CN2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)c(OC)c1OC 521194499 WPACNSZQKANNPF-UHFFFAOYSA-N 438.528 2.018 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccccc1 530893663 QQCCIBSSFFTEKM-UHFFFAOYSA-N 448.573 2.311 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)CC2)n1 544833328 FDHZNEBWWQOAGP-UHFFFAOYSA-N 441.447 2.305 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2Cc2cccs2)CC1 549863534 MNDNPCXVDZWAMF-UHFFFAOYSA-N 437.573 2.183 30 10 IEEE COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)ccc1C#N 562181880 PAEOWNNSRLWKIV-HXUWFJFHSA-N 427.526 2.425 30 10 IEEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)CC3)CC1 580966218 YFHYGZOBFMSLRH-PZJWPPBQSA-N 448.571 2.037 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)OCCc3ccccc3)cc21 586312885 IFTCFPMVWGQJNQ-HKBQPEDESA-N 441.505 2.315 30 10 IEEE C=CCc1cc(CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc(OC)c1OC 589216950 RKMVBOYURRHEMM-IBGZPJMESA-N 431.533 2.213 30 10 IEEE COCCN(CCC#N)S(=O)(=O)NCc1cc2cccnc2cc1Br 619712427 YLRGPGKSXDVXFB-UHFFFAOYSA-N 427.324 2.194 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 669815556 XNMFJGMIRSCHCK-UHFFFAOYSA-N 435.536 2.192 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 728931033 KUWUCEVUZPIJFG-XLIONFOSSA-N 446.555 2.289 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 733755390 YBDXXOLNBMHALO-FQEVSTJZSA-N 433.468 2.239 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2=O)cc1 733757667 SDYAQVBZMSYOPE-IBGZPJMESA-N 431.452 2.294 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCN(c3ccc(F)cc3C)C2=O)c1 735340315 XETIKYJEQGBUNU-FQEVSTJZSA-N 444.484 2.398 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OCC)cc3)c2=O)cn1 772275312 JOZQKAICPXGDAC-UHFFFAOYSA-N 446.532 2.467 30 10 IEEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc(C)cc(Br)c3)c2=O)cn1 772302504 JBASPWGMMJUDBD-UHFFFAOYSA-N 440.326 2.213 30 10 IEEE C=CC[C@]1(C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)CCCN1C(=O)OC(C)(C)C 772783259 FVMSBCKUJNLEHE-NJNPRVFISA-N 426.554 2.205 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)[C@@H]1CCCO1 773549083 PDZAYTUPENUSNH-AEFFLSMTSA-N 438.450 2.152 30 10 IEEE C[C@@H]1COCC[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 774056734 YEQZXOYWTFTDQD-MNEFBYGVSA-N 433.530 2.181 30 10 IEEE C=CC[C@@]1(C(=O)OCC(=O)N2CCC(C(=O)OC)CC2)CCCN1C(=O)OC(C)(C)C 791718385 BANADDXJTFZGMA-QFIPXVFZSA-N 438.521 2.287 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCCCC(F)(F)F 794658779 CHBAQQLYXHZAHV-UHFFFAOYSA-N 439.459 2.361 30 10 IEEE N#CCC1(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)S/C2=N/CCc2ccccn2)CC1 797424741 BTXGKKBTUKESCG-GQKAQOFESA-N 449.540 2.437 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nnn(CCOc2ccc(F)cc2)c1C 800393102 VGWFYBNDAMIZHZ-UHFFFAOYSA-N 443.460 2.103 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1COc2ccccc2O1 900863168 NLTPRPIYSFBMKS-WBVHZDCISA-N 443.525 2.096 30 10 IEEE C[C@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 915405032 LOXBFMSTVBZRFW-AWEZNQCLSA-N 438.415 2.120 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCCOc2ccccc2C#N)C1 918767165 LEXBSGBKYOFTDR-QGZVFWFLSA-N 433.486 2.186 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H]2CCOC2)CCN1C1CC1 1119042994 YJVHEHBKOMEZEG-AVRDEDQJSA-N 444.543 2.344 30 10 IEEE COc1cc(N2C[C@H](C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2=O)cc(OC)c1OC 1132648401 ZEBIAWKSBYEHRA-MSOLQXFVSA-N 435.480 2.221 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136670245 CZQAKEVMWLGDNF-ZDUSSCGKSA-N 425.482 2.204 30 10 IEEE CCO[C@@H]1C[C@@](CO)(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(C)C 1138270869 AUPBFCLUAGUZEE-XLIONFOSSA-N 436.350 2.439 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 1169716581 XSSYDIMUKSFFCP-UHFFFAOYSA-N 425.825 2.229 30 10 IEEE C=CCONC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1251129538 JSVYJOGTTXMZGK-UHFFFAOYSA-N 438.731 2.236 30 10 IEEE CCOC(=O)c1c(NC(=O)Cc2ccccc2N2CCCC2=O)c(C#N)cn1CCOC 1264542908 MVZQRUVFTGJURY-UHFFFAOYSA-N 438.484 2.491 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1286431684 XMZORCHSHAYWJR-GHTZIAJQSA-N 446.555 2.269 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)c1ccco1 1286461185 VYVXMMVRNOTUFG-OAQYLSRUSA-N 425.445 2.440 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)nc2OC)CC1 1286482705 WDTUWMQNKBPVSN-UHFFFAOYSA-N 438.557 2.146 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2CCOCC2)CC1 1286484029 FYNKIEDONSVMFA-UHFFFAOYSA-N 425.533 2.048 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCC(=O)NC 1286556720 FCORNIYBRHOXPP-AVRDEDQJSA-N 427.549 2.431 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(CC(C)C)CCO1 1286729424 SRIYOMDKONALIP-KRWDZBQOSA-N 432.594 2.249 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1286763455 ZNFFUQWNLRINJR-UHFFFAOYSA-N 446.555 2.358 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCOC1 1286780637 XYGOJJCPKRGYRX-ZDUSSCGKSA-N 437.342 2.201 30 10 IEEE CC(C)(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286987115 AFKFQADDGLSBKH-CEXWTWQISA-N 449.559 2.135 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1)OC 1291411163 HFOYASXLNFHMRJ-FXAWDEMLSA-N 440.548 2.173 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(SC)CCN(C)CC2)c1 1300331752 PUGZDWZDVRTWPL-UHFFFAOYSA-N 426.590 2.470 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1300339282 LLZOTRCKSZBGIC-QZTJIDSGSA-N 436.626 2.002 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCS1(=O)=O 1300548556 KMXIZVIJXNKAMJ-FQEVSTJZSA-N 426.542 2.206 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(CC)c1 1300578281 ALCQHUPVKAKFRZ-UHFFFAOYSA-N 426.484 2.322 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCSC 1300883446 AYWZIYROBGVYBS-IKGGRYGDSA-N 428.624 2.351 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1301354937 LHMYKEBJAJQIQV-GOSISDBHSA-N 449.552 2.038 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1301452577 TZDWEBUJMBXBDA-QGZVFWFLSA-N 430.940 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)C1 1301558476 WALJXHNLHBYUHV-PKOBYXMFSA-N 438.594 2.311 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CC1 1301964865 FBXSKYDGZGTOMB-MRXNPFEDSA-N 439.545 2.304 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1301986089 CPDTWAOBGVUZMH-MDZRGWNJSA-N 429.546 2.420 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1302207738 JDVFRZRCRCCPJV-QHCPKHFHSA-N 441.532 2.256 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1302314760 VWZDBMUFBOYRLF-ROUUACIJSA-N 429.546 2.398 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)C1 1302978226 HTHRFNVRSLRMQK-DJJJIMSYSA-N 438.385 2.460 30 10 IEEE Cc1cc(Br)c2oc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2c1 1305589132 CUPOCEXHMZBQCA-UHFFFAOYSA-N 429.230 2.335 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(Cc3cn[nH]c3)CC2)cc1 1307851345 CRQFOGKWKKSMLA-UHFFFAOYSA-N 447.543 2.454 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(C#N)cc1 1310960034 BGOUQEMOHUNBHY-UHFFFAOYSA-N 428.514 2.463 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1314157757 FEWQUKOUHANGLC-UWJYYQICSA-N 447.536 2.378 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)C1 1314964612 GFCARROPUVYZBC-DEOSSOPVSA-N 444.543 2.288 30 10 IEEE COCCCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316052026 JEEFTHYZGSEQQP-FPOVZHCZSA-N 441.532 2.364 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(O)CC(OCC)C2)c1 1358903250 PTJMQNIEGWVPID-UHFFFAOYSA-N 439.560 2.463 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1358905173 UFLCHVYTUVEIAU-PGRDOPGGSA-N 445.589 2.098 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1358962609 TUFUURDQTZDTON-MRXNPFEDSA-N 436.484 2.432 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358964627 CLJQTHNVZXIAJW-PXNSSMCTSA-N 436.603 2.108 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359009432 PROOMNHBLOCCTR-AKHDSKFASA-N 445.564 2.266 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1359031499 FHSGPQKNESLGAV-IBGZPJMESA-N 433.560 2.124 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)Br)CC1 1359174083 WECONHXICWQDSV-SNVBAGLBSA-N 442.330 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 1359295436 AZLSGSIDROFROQ-LBPRGKRZSA-N 438.301 2.374 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(C)=O)c2)C1 1359312661 ZBSKEBOTXMFXNL-LJQANCHMSA-N 426.521 2.204 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)OC)CC1 1359328903 RFPGOZBSSQKKML-UHFFFAOYSA-N 446.573 2.498 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359341875 JPIUBKNQMRXGGE-QGZVFWFLSA-N 443.639 2.299 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@](C)(O)c2ccco2)CCOC1 1360338653 HZIRWWPMWVBJAU-NJDAHSKKSA-N 433.484 2.261 30 10 IEEE C=C(C)[C@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccc(F)c(F)c1 1447975553 SSZUIMMOIIODND-SFHVURJKSA-N 443.454 2.433 30 10 IEEE C#C[C@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1449785373 IHFDGGFPMBSBIV-HSZRJFAPSA-N 447.601 2.341 30 10 IEEE CNCCCc1[nH]nc(NC(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)c1C#N 1457526639 MANOIYXDXREAPJ-LLVKDONJSA-N 431.294 2.260 30 10 IEEE CN(CCOc1ccccc1C(=O)N1CCN(C(=O)CC#N)CC1)C(=O)OC(C)(C)C 1465872377 LPHCUSSJULHBEK-UHFFFAOYSA-N 430.505 2.130 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cc1F 1467383452 YVJLBPBAWIIUGB-UHFFFAOYSA-N 434.449 2.378 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 1470574147 NTXMYBKVPKXVJF-UHFFFAOYSA-N 449.514 2.053 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@@H](O)c2cc(OC)cc(OC)c2)c(C#N)cn1CC 1476760221 AJEJFKJXNSLZOB-QGZVFWFLSA-N 430.461 2.429 30 10 IEEE CCO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1502611011 DOFUYXXIAGPLFW-UEXGIBASSA-N 447.536 2.400 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507619166 WRHXSCCRGWUVNW-MRXNPFEDSA-N 431.924 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2[nH]1 1507659748 DURJQQRTSOMBJO-QGZVFWFLSA-N 438.557 2.075 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 1507749148 UGSJQBXVJFEPTA-AWEZNQCLSA-N 434.363 2.386 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCSCC1 1508518550 SYMDGQIQTUKMCJ-UHFFFAOYSA-N 440.621 2.218 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C(C)C)cc1 1518331311 MFXWWZMZKUNZEB-QFIPXVFZSA-N 444.511 2.470 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)n1 1518992657 BXMMWGMNYPVFKP-SFHVURJKSA-N 435.488 2.370 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCCN1CCOCC1 1519424876 OJOYCXLIXUZMES-PMACEKPBSA-N 446.596 2.245 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCO[C@H]1CCCC[C@@H]1C 1519450628 QXYAUNCGUUEWJE-KNJMJIDISA-N 433.553 2.326 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1522021862 DUIGTTFWUQXVEX-UHFFFAOYSA-N 425.510 2.177 30 10 IEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 1525212953 RYMWLUUHOGZGKY-FQEVSTJZSA-N 433.574 2.269 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2ccc(Br)c(C#N)n2)C1=O 1529527478 RMAPJLXYPNGYPI-NSHDSACASA-N 437.294 2.235 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2=O)cc1Cl 1537471460 SVGWTPPITAWMOC-OLZSVQGGSA-N 435.933 2.037 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOc4cc(F)c(F)cc43)C2=O)cc1 1537920748 TTWIRKGKUFYLAC-INIZCTEOSA-N 426.379 2.467 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1538974217 RIWGVLVHAXZVKA-CHWSQXEVSA-N 444.483 2.003 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CO)CC1 1539067264 CACUNFAVIAPOSO-UHFFFAOYSA-N 430.578 2.250 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@H](C)c1ccccc1 1539177976 CQJKXPGFZKJFJO-IEBWSBKVSA-N 429.590 2.379 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539447835 WXMWLMYMNLKVHJ-KRWDZBQOSA-N 434.466 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nc(C)cs2)CC1 1539482329 SJBZQRJPPISHKE-KRWDZBQOSA-N 428.562 2.299 30 10 IEEE C#CCSCCn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1C(C)(C)C 1539531537 WIKSBGZYVIFOJB-UHFFFAOYSA-N 443.621 2.322 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1539729015 FLLFCXDQVUZDQB-VQIMIIECSA-N 447.511 2.101 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539966834 MYFWCOWFCGWFFS-SFHVURJKSA-N 439.564 2.349 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2)C1CC1 1540095374 PAUPWPXAXATJPP-HNNXBMFYSA-N 431.562 2.164 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1540872531 RTAOZSXRYDDGTN-LJQANCHMSA-N 426.540 2.375 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccccc2F)C1 1540889013 CEQMLQRDDDLASF-QGZVFWFLSA-N 439.495 2.029 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1545928584 DZARGPGRJIXZBW-IBGZPJMESA-N 442.568 2.135 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(C)cn2)cc1OC 1547956970 GGUJNRDLLUFCBL-GOSISDBHSA-N 437.504 2.286 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)C1 1554402920 NKZBQCNHZNBLAX-HXUWFJFHSA-N 425.880 2.469 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1554571475 HJVGDYQRJKMLTE-IBGZPJMESA-N 438.532 2.069 30 10 IEEE COc1ccc(OCCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1554983083 SQXNUSDDNBRCMP-XLIONFOSSA-N 427.505 2.379 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1555556775 HWAJKJPBIXQCEC-MRXNPFEDSA-N 449.515 2.482 30 10 IEEE C=CCOC[C@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)C(=O)OC 1556375367 HVAUEEPKQXLRGH-NSHDSACASA-N 444.307 2.354 30 10 IEEE Cc1ccc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1S(=O)(=O)NCC#N 1557093437 LTBNVHUFEXDNCY-DOTOQJQBSA-N 435.546 2.379 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3cccc4ccccc34)n2)CC1 1558073721 YBPOLLUZIUFZEK-UHFFFAOYSA-N 440.550 2.189 30 10 IEEE C#CCN(C(=O)[C@H]1CCc2nnnn2CC1)[C@@H]1CCOc2ccc(Br)cc21 1565764517 PMABJQCQUQBZBP-XJKSGUPXSA-N 430.306 2.374 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)CN1CCC[C@H](C(=O)OC)C1=O 1583506693 VBSXSSNDCWCPNS-ZDUSSCGKSA-N 425.279 2.364 30 10 IEEE N#CC[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(F)(F)F 1584793401 CKTODRAUVWNQJG-CYBMUJFWSA-N 431.212 2.481 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1587550541 NICGZGYWFXMTOO-ICSRJNTNSA-N 437.544 2.496 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OCC(N)=O)CC1 1587818189 SEXSLLYTFCHGDH-UHFFFAOYSA-N 433.459 2.431 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1587989699 NINFQFNPLAKMPT-GHTZIAJQSA-N 425.533 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2[C@@H]2C[C@H]2CF)CC1 1588962296 YYXNWQJDBFCSAH-QFBILLFUSA-N 429.471 2.493 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1589060420 RKXJLOALDMPBIX-RBUKOAKNSA-N 425.558 2.044 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 1595509596 JVYAWEUQCMVZED-IBGZPJMESA-N 429.908 2.431 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2CC)C1 1595664812 KMGJMZIPRDQCFA-MRXNPFEDSA-N 429.569 2.104 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1608490014 OAZRVQNNRLULIG-UHFFFAOYSA-N 440.525 2.313 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CO)C(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2O 1614467824 DZPROHKVTKFBQP-LXTAXLRRSA-N 448.560 2.244 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)s1 1623447453 ZVEJZRJTXACGSW-TXEJJXNPSA-N 432.951 2.259 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 1624134591 KCPFPKNEPVPLRH-CVEARBPZSA-N 430.977 2.081 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN(C)C(=O)OC(C)(C)C)s1 1625080914 JUHZRQMLRMVCBV-UHFFFAOYSA-N 431.580 2.128 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cn3)c2)CC1 1628146113 ADNSOMUMBVKTQO-UHFFFAOYSA-N 426.904 2.425 30 10 IEEE C[C@@H](CN1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1630498009 FYQDLWXXMMGRKN-DVCONVQISA-N 436.578 2.186 30 10 IEEE Cn1cnnc1N1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 1631677318 ISIJKAXGVAWUAE-UHFFFAOYSA-N 427.940 2.295 30 10 IEEE N#C[C@H]1CN(C(=O)c2cnc(I)c(O)c2)CCN1Cc1ccccc1 1633447130 YBBDBPSCHLNQMF-HNNXBMFYSA-N 448.264 2.242 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS(=O)(=O)CCO2)c1 1637664251 JCHBMXGADSGCFJ-UHFFFAOYSA-N 445.522 2.091 30 10 IEEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 1638029021 DKEOQATUIVVKER-LJQANCHMSA-N 426.517 2.087 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)NCc1nc(C#N)cs1)OC2=O 1638555392 MLHRHCMPAJXHKS-AWEZNQCLSA-N 449.533 2.147 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)CCn2c(S)nc3ccccc3c2=O)CC1 1638919503 GIZMRYCBNGLSOU-UHFFFAOYSA-N 425.539 2.357 30 10 IEEE C#CCOc1ccc(CNC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1 1640953997 UXAYMMOIINZECM-PMERELPUSA-N 434.558 2.463 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCC2)cc1 1641170824 NGDFMWVFMGXUHR-UHFFFAOYSA-N 435.546 2.118 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCCc3nc4c(s3)COCC4)ccc2c1=O 1645620836 HWYPJNBSUIDNDZ-UHFFFAOYSA-N 428.539 2.373 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CCN(C(=O)OC(C)(C)C)CC1 1651973777 WGJZJAZETLVEHO-UHFFFAOYSA-N 425.485 2.387 30 10 IEEE COc1ccc([C@@H](CNS(=O)(=O)c2c(C)cc(F)cc2C#N)N2CCOCC2)cc1 1653358594 GCMVFOXKZYDMNC-HXUWFJFHSA-N 433.505 2.366 30 10 IEEE C#C[C@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1654848802 CTCDSLDAYQFESB-INIZCTEOSA-N 425.470 2.097 30 10 IEEE COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1655218137 WQUPXBYHIKHFEY-DENIHFKCSA-N 434.968 2.096 30 10 IEEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 1660950522 PUJMAPGOPXXNLL-MRXNPFEDSA-N 439.541 2.324 30 10 IEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1Cl 1668018309 FZMNAMWDIWESIC-QGZVFWFLSA-N 433.921 2.348 30 10 IEEE C#CC[C@@H]1CCN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1679143746 NOGQEESESYVJGD-GOSISDBHSA-N 449.573 2.159 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1689966542 VCKZQTATQQGCSW-QGZVFWFLSA-N 429.546 2.014 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCN(C(C)=O)C1 1690098761 UOMFOHHONRXZDG-GOSISDBHSA-N 439.516 2.018 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1690133383 FGTUSZVOFOWIOF-PMACEKPBSA-N 439.560 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCCCC2=O)CC1 1690136973 MGISEMBKDHOUFQ-SFHVURJKSA-N 428.581 2.160 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1690236916 TXRAKYGPQOFOMK-YLJYHZDGSA-N 438.532 2.065 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1690321958 PSZGUHNIIBWOEI-HKUYNNGSSA-N 434.562 2.339 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1690361157 ISWVEIDFSPSBJW-UHFFFAOYSA-N 447.561 2.055 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C)C1)c1ccccc1 1690442589 WNEAIFMTZCCWFK-ZIFCJYIRSA-N 433.578 2.473 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1690672772 CTFXOYASFNFHKV-UHFFFAOYSA-N 442.539 2.195 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCCNC(=O)c1cccc(O)c1 1691006653 ORKOAMYISUPSLH-QGZVFWFLSA-N 433.516 2.385 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1691204349 JKZHQCFNDPNWHN-QHCPKHFHSA-N 438.532 2.117 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1CCCO 1692661774 NHPKNLSKFQXAKJ-VQIMIIECSA-N 427.509 2.438 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cs1 1693355630 SJHHBGZJUALFPT-NRFANRHFSA-N 436.545 2.306 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CCC3)C[C@@H](C)C2)n1Cc1ccc(C#N)o1 1693753939 QOYGXVAICSDMCX-MRXNPFEDSA-N 425.537 2.240 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCOC)CCOC1 1696084720 GAFWZXZZJRDIKU-DENIHFKCSA-N 427.505 2.026 30 10 IEEE Cn1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(Cl)=C(Cl)C2)n1 1696887249 UWIVAOPEJJDBQF-UHFFFAOYSA-N 446.302 2.200 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOCCc2ccccc2)C1 1698486582 NFEZXRAKSKYYFM-HSZRJFAPSA-N 440.523 2.492 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1705541903 URUWOFDORZEBPM-RDJZCZTQSA-N 431.562 2.086 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705559638 DMXAZNXZNXWHNV-GOSISDBHSA-N 446.573 2.484 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705571212 XTZJARYKHGKKSW-IHPCNDPISA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCc1ccco1 1705575126 BMYLWKRHVRMHGF-UHFFFAOYSA-N 441.289 2.018 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705729953 DJTUWJPFZCSBTD-NRFANRHFSA-N 434.629 2.225 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705749859 KNFVWTKFKQJHIP-UHFFFAOYSA-N 427.852 2.262 30 10 IEEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1705858343 MREPJPVABYWMOE-INIZCTEOSA-N 432.546 2.455 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1706057055 FUXMNMNNPRPUBW-GUYCJALGSA-N 436.438 2.499 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1706941295 QHROJGOBMDMWOP-FOIQADDNSA-N 427.440 2.210 30 10 IEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 1710602241 FNBBRGYYRZMTDW-MVBMGLOESA-N 439.516 2.136 30 10 IEEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1OC 1711817786 CUNNEUQIADWIEM-UHFFFAOYSA-N 438.532 2.400 30 10 IEEE COC1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1712038503 FRPAUYCPZFGKCA-OKYOFGHESA-N 433.553 2.253 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1)C1CC1 1712698169 BLNWAAFCHVXNRP-LJQANCHMSA-N 427.530 2.175 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2cc(C(F)(F)F)ccn2)CCO1 1712884179 HZIOIYHBWMXAGK-HNNXBMFYSA-N 430.394 2.120 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1722295706 VIPANCQPALEKCG-HZPDHXFCSA-N 428.541 2.027 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1722371064 GRJXCOGFTCACDN-REWPJTCUSA-N 442.585 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCc1nccnc1C 1722375342 BIPNXBZJVMREJZ-UHFFFAOYSA-N 438.333 2.460 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=C)Br 1722393274 YGBYLQWRQGPPDL-UHFFFAOYSA-N 437.305 2.292 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722493835 AAYNSSJDKVUTQL-UYAOXDASSA-N 445.589 2.444 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722589342 PQWHFUPWDHLSFE-KRWDZBQOSA-N 429.569 2.043 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722852143 ZMMFPFJGUDXYIU-IBGZPJMESA-N 432.532 2.145 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(F)(F)CO1 1722863107 OKQVEAOXDKSXBJ-ZFWWWQNUSA-N 439.488 2.369 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(F)ccc2F)CCOC1 1723690835 KGGBLPWIJOCAST-LAUBAEHRSA-N 433.459 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1740537820 ZZCYYELFXAYZSQ-MOPGFXCFSA-N 440.592 2.446 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(C(N)=O)CCOCC1 1740599513 CCLHXLKXWRLSKA-GOSISDBHSA-N 425.533 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1740619290 HIDUWTMBPOHKJK-HNNXBMFYSA-N 437.953 2.045 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740625210 OWVZOTZLCQHHQH-HXUWFJFHSA-N 444.601 2.241 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC(F)(F)C1 1740631028 NXUZQWQGKDPFBD-CVEARBPZSA-N 427.521 2.177 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1 1740644480 HWVDNFLZMWUJRF-JOCHJYFZSA-N 427.936 2.440 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740952902 QLCNFIXHRVGJEL-RTBURBONSA-N 445.589 2.136 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1740953542 JGWRFDHIZUBSDE-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740965634 KFMZGDAALZZZFG-DOTOQJQBSA-N 430.484 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740992366 GAQIAXOHMNGQEA-GOSISDBHSA-N 433.578 2.116 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC=C(COC)CC1 1740993156 ULLFMPMPXPLXOB-UHFFFAOYSA-N 434.537 2.392 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1740995088 ZLOMJZHUGYLGIQ-UHFFFAOYSA-N 437.610 2.060 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1741128667 AGPVQBHAPPLRQC-YJBOKZPZSA-N 444.609 2.174 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1743898031 SHQASZXOUCLMKH-LSDHHAIUSA-N 432.475 2.181 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1747596759 MVQOUFPLDBAUFN-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1748657472 BONJVRBHYLXQBJ-INIZCTEOSA-N 441.532 2.092 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1748724445 SMZFCHCMCCBWBF-UHFFFAOYSA-N 449.602 2.087 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1OC 1748776153 AUERMQUOMGRTJO-HNAYVOBHSA-N 430.505 2.092 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748807992 FQRTZTLBRSCPAR-LJQANCHMSA-N 447.992 2.321 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1748908240 WHHYVONJUPDKFE-QFIPXVFZSA-N 429.521 2.239 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748925903 PAMGTHONUNXVFE-IRXDYDNUSA-N 429.487 2.285 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748962141 ASPXQFSWHLNIDW-UXHICEINSA-N 449.621 2.226 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)c2c(C)noc2C)CC1 1748971594 WKFLXZKNFCPLTG-INIZCTEOSA-N 441.580 2.360 30 10 IEEE C=C(C)COCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1749241115 FOPFSBPRJOWOJL-HIFRSBDPSA-N 442.492 2.293 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749280296 GNELWMPIHCGTCP-HNNXBMFYSA-N 426.304 2.214 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1C)C1CC1 1749511660 ZJTLTKCTCQIXFR-UHFFFAOYSA-N 425.493 2.303 30 10 IEEE CC(=O)N1CCN(CCn2c(C)nnc2N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)CC1 1749883893 CXAGCWNBIIQXSW-QHCPKHFHSA-N 435.576 2.081 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1750008136 NMOSIZGOEDWUCJ-APWZRJJASA-N 429.521 2.007 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1751190978 DNZWZQKECXQTFC-MAUKXSAKSA-N 430.534 2.089 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1760170952 SVANELYAZUTYMN-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1760224399 JHFLNMWHMGCIGX-SFHVURJKSA-N 442.589 2.109 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@H]2CO)CC1 1760258030 OFEMCMUIUPMPDY-FQEVSTJZSA-N 440.567 2.076 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCC(C)CC3)nc2)CC1 1760269944 HSKQFWRBBZYNIF-UHFFFAOYSA-N 449.603 2.486 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760304809 HMVZCXGUIYBQNT-IUODEOHRSA-N 439.285 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)CCc1ccccc1 1760333233 BXTPEAWAQZVJGD-SJBKTWHCSA-N 439.560 2.252 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)CC1 1760336013 UBDVZPLVIJBMBV-TZIWHRDSSA-N 426.565 2.398 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760355557 OBPSLYRFXCPFIO-SFHVURJKSA-N 427.553 2.316 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760361040 FFTOESVVDOBXJD-ROUUACIJSA-N 441.532 2.173 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760502987 UHKLXCNBYUATEU-ROUUACIJSA-N 431.585 2.205 30 10 IEEE CN(C)CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1766927489 HVHHBXCCYDFOOS-NRFANRHFSA-N 433.516 2.058 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1767916409 GCGSYLXEZUADTG-IRXDYDNUSA-N 427.530 2.481 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCSC)cc(OC)c1OC 1768282160 YYPXCDVQIFOFBX-OAHLLOKOSA-N 433.534 2.453 30 10 IEEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1768681192 DYINHRIVBHBFEC-UHFFFAOYSA-N 431.500 2.360 30 10 IEEE COCCOCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1771269994 JZIJNCBMTUDQCP-UHFFFAOYSA-N 427.553 2.222 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)c1 1848880325 OGOWTEOLHDNBQS-JOCHJYFZSA-N 438.553 2.450 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccc(C#N)cc1 1849215016 NIEMRAULAUVHGU-NHCUHLMSSA-N 440.569 2.033 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N=c3[nH]n(-c4ccccc4)cc3C#N)CC2=O)cc1OC 1851975738 BAVRHJLWSKEYFQ-HNNXBMFYSA-N 431.452 2.175 30 10 IEEE N#Cc1ccnc(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 1851986859 GODZCVQQBPSNMV-UHFFFAOYSA-N 425.802 2.176 30 10 IEEE CN1C(=O)CC[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1ccccc1 1852086419 LZTBJDLISHDZKQ-QPPBQGQZSA-N 447.539 2.228 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1853178699 FAWHZYOGNRBFOF-STQMWFEESA-N 441.875 2.403 30 10 IEEE Cc1ccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857027066 UOAHCHKEGGROAQ-HXUWFJFHSA-N 431.558 2.177 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2)cc1 1859009999 LCAXINVRHQQWGO-UHFFFAOYSA-N 434.901 2.290 30 10 IEEE CCOc1ccc(C(=O)N=c2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)[nH]2)cc1 1860879787 NREPISDHJURFIM-UHFFFAOYSA-N 432.440 2.093 30 10 IEEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782483 JIWVSAMVPDEDJZ-OALUTQOASA-N 432.590 2.293 30 10 IEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871494619 VVYKRKSGHCOGBG-UHFFFAOYSA-N 425.537 2.459 30 10 IEEE COc1ccc(-c2nc([C@H](C#N)C(=O)CN3CCN(C(C)=O)CC3)sc2C)c(OC)c1 1872800333 QTAJQALDIRRRSD-GOSISDBHSA-N 442.541 2.476 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNc1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 2020333249 UGLYZZCXNGGCAT-UHFFFAOYSA-N 429.521 2.060 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625117 HBPAZTGDTMYERW-ZFWWWQNUSA-N 432.330 2.217 30 10 IEEE C=C[C@@]1(CO)COCCN1S(=O)(=O)c1cc(Br)sc1Br 2199875985 CPHFZCMOFAFUBM-LLVKDONJSA-N 447.170 2.211 30 10 IEEE C[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243393443 SGBJLJRZIDABLI-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)C1 2247554010 IBIMOCYOWZEGIK-RITMXGJUSA-N 437.537 2.093 30 10 IEEE C[C@@H]1OC2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CC1(NC(=O)OC(C)(C)C)C2 2254795991 LBWVGESNEAKLPD-QPWRMADRSA-N 440.544 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(=O)O)C1 2255352128 XRUIAQCDVHOXRX-NRFANRHFSA-N 434.298 2.224 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CO 2255378810 DQNBFDIXBNIHJN-HOTGVXAUSA-N 433.358 2.093 30 10 IEEE Cc1nc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255646511 PBYXFVGNFWLVCV-UHFFFAOYSA-N 449.382 2.444 30 10 IEEE C[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)CN(C)C(=O)OC(C)(C)C 2255650675 DMHVLNIGZUOCMR-AWEZNQCLSA-N 434.346 2.009 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1 2255679408 LFXIUQGKGQIGQC-UHFFFAOYSA-N 433.358 2.499 30 10 IEEE COCCCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255692686 CWICITDIJSILDH-UHFFFAOYSA-N 428.342 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](C(=O)O)C1 2255858610 NMYLNARSHPEBBG-RBSFLKMASA-N 438.330 2.391 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256623498 QUXRXSMDLKCWAI-CIEDQVTBSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266991191 CNFPLKLEYHVYGH-WNSKOXEYSA-N 443.353 2.368 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267130232 LXXGYOYVSRHAMK-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267142683 XMGZLHZCIGBVQN-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142886 ADMPFWOUIOKCCA-JKSUJKDBSA-N 446.357 2.323 30 10 IEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268639156 MXMVTEFTBPAEMA-DAYGRLMNSA-N 448.369 2.437 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268670178 SRXGZQBOXZVXIJ-GOSISDBHSA-N 446.353 2.368 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2273767643 AIPZUSCYHJXGIF-SFHVURJKSA-N 448.369 2.450 30 10 IEEE CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1F 2282835218 QTWVEDHNAPITJJ-GHMZBOCLSA-N 425.740 2.058 30 10 IEEE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(C#N)ccc1C)NC(=O)OCc1ccccc1 2286045902 UGDZSCKUBVDLDQ-GOSISDBHSA-N 431.470 2.076 30 10 IEEE CCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 2314435671 AYAHMIUUEATELJ-UHFFFAOYSA-N 432.571 2.403 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CCCCN2C(=O)C(F)(F)F)[nH]1 2315392251 NDCUDXSAMUSPGU-OAHLLOKOSA-N 427.276 2.466 30 10 IEEE CN(CCC#N)C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O 20211899 DZWHBWVJUYUWPN-UHFFFAOYSA-N 428.445 2.454 30 10 IEEE C=CCNC(=O)N1CCN([C@@H](C(=O)NCCc2ccccc2OC)C2CCCC2)CC1 36310655 DKWMLPWOMZUCJS-JOCHJYFZSA-N 428.577 2.426 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2O)n1)Nc1ccc2c(c1)OCCO2 58996905 DAKBKNVKEXZPLK-KEBDBYFISA-N 426.458 2.458 30 10 IEEE N#Cc1ccc(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)=C(N3CCC[C@@H](CO)C3)C2=O)cc1 169981480 PURCXOKCDBGODX-MRXNPFEDSA-N 432.436 2.455 30 10 IEEE N#Cc1nc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 302707286 HDUQAMYDBBGOCA-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE C[C@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCN1c1nccn2cnnc12 441047990 HUHQITDZUONFRJ-UONOGXRCSA-N 436.545 2.084 30 10 IEEE CCC(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 461750746 XEVZMDVOTWGWRC-UHFFFAOYSA-N 426.498 2.053 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(C(=O)CCc4ccccc4)C3)cc2C1=O 465106592 FKDAVVQSRCCCJN-IBGZPJMESA-N 431.492 2.432 30 10 IEEE COc1cccc(-c2cc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)n(C)n2)c1 476837465 LSFNMLJTXNSYNU-UHFFFAOYSA-N 444.495 2.255 30 10 IEEE Cc1nc(C2(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCCCCC2)no1 480664674 BANDWDHQQZFCNF-CQSZACIVSA-N 431.518 2.282 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 486862869 GZHGDSKYBPXGMV-AWEZNQCLSA-N 438.428 2.115 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)C2=O)cc1 490234529 ANGOLCJNYGUNSL-YADHBBJMSA-N 440.507 2.388 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 523257650 DRTYRZFRYUVLCT-YJBOKZPZSA-N 426.538 2.216 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)c1 523972755 SGBXHOQZBGCJAU-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C3CC3)c2=O)c1 540697497 VYHYOPQNSGPXCF-UHFFFAOYSA-N 435.480 2.482 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](O)(C(F)(F)F)C3)n2C[C@H]2CCCO2)cc1 559101893 NXWOQXSSBJAGEN-APWZRJJASA-N 437.422 2.411 30 10 IEEE CNC(=O)CCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 567758701 UUEKCEGEYYDQPV-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE COc1cccc(N2CC[C@H](CNC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)c1 609413329 AXMOUSMALBUERL-QGZVFWFLSA-N 442.541 2.062 30 10 IEEE Cn1c([C@@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nc2ccccc21 732496249 XFBKLZFCLLKRFL-LAUBAEHRSA-N 427.464 2.225 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c(C)c1 732652125 NWKYKLSLPJGRQZ-NRFANRHFSA-N 444.601 2.211 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)c1 733786239 BLUQGHJUEWXCJZ-HNNXBMFYSA-N 435.477 2.022 30 10 IEEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 735839711 FJYHJEQHFTZQNH-WBVHZDCISA-N 429.521 2.362 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1C[C@H]1CCCO1 742530937 JLJVOSIKSSUPRH-MRXNPFEDSA-N 435.427 2.057 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 743902832 IBPQTSIQQFXFDC-UHFFFAOYSA-N 427.432 2.099 30 10 IEEE COc1ccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1C#N 746710876 PFRRSNFBQAVHQH-UHFFFAOYSA-N 432.458 2.108 30 10 IEEE CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)ccc21 747494551 CNOLNYHPBLXBBW-UHFFFAOYSA-N 434.452 2.340 30 10 IEEE Cc1c(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnc(Cl)c1Br 760068193 FAWWNDTXWSBNCL-OWBHPGMISA-N 428.674 2.454 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC(C)(C)S(C)(=O)=O 763655959 ZEPGRKUYWVAKAH-UHFFFAOYSA-N 447.351 2.380 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OC)cc3)c2=O)cn1 772276588 OKCBMNVPFGUIAC-UHFFFAOYSA-N 432.505 2.077 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2c[nH]cc2-c2cnn(C)c2)cc1 778511635 LSAHSZGMRAEWQR-CLCOLTQESA-N 426.502 2.480 30 10 IEEE Cc1nc([C@@H]2CCCCCN2C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 779701820 WZDZYYBONHNETO-BBRMVZONSA-N 431.518 2.339 30 10 IEEE Cc1ccccc1CN1CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780177904 ARWBLTLSNZQYCQ-DEOSSOPVSA-N 443.544 2.444 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 787057403 WUHJZJUXCDKVBF-AZUAARDMSA-N 434.452 2.277 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3cn(C(C)(C)C)nc3Br)CC2)c1C#N 788109025 BNQRKZVKDFLDCR-UHFFFAOYSA-N 434.342 2.277 30 10 IEEE Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 799771833 RGDQEGPMUMINEJ-GFCCVEGCSA-N 429.296 2.027 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 812179105 JHLPCQOBVZNBHC-IRXDYDNUSA-N 437.541 2.014 30 10 IEEE CN1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H](c2cnn(C)c2)C1 849515638 FGDHGJKGOGGQQG-FGZHOGPDSA-N 434.544 2.204 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccccc1C 917772095 QUIRCCHZFZUVOR-UHFFFAOYSA-N 449.580 2.188 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc1 1084469497 JSPILOABMPLDOR-UHFFFAOYSA-N 427.446 2.330 30 10 IEEE C=CCN(C(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21)[C@@H]1CCS(=O)(=O)C1 1125953879 LCNDYSQBOCJCCZ-YPMHNXCESA-N 427.320 2.077 30 10 IEEE C[C@H](Sc1nc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cs1)C(N)=O 1137497346 GVVADRQGCDMOJO-LBPRGKRZSA-N 445.570 2.123 30 10 IEEE N#C[C@@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 1137571772 NBNIZFJBGCBFLD-MRXNPFEDSA-N 438.303 2.246 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1144422372 KBMYFXGZQJUAED-HXUWFJFHSA-N 427.545 2.453 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)n1 1156618220 LQXBMYCKYJJYLG-FQEVSTJZSA-N 426.542 2.479 30 10 IEEE C=CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1158281403 TYRLZISRXUEYJU-SWLSCSKDSA-N 436.452 2.386 30 10 IEEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1286347353 LGLYWOPFTISBHF-UHFFFAOYSA-N 426.546 2.358 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(Oc2ccccc2)nc1)[C@H]1CCS(=O)(=O)C1 1286384000 OVEBMZQUWHHLOB-IBGZPJMESA-N 437.525 2.449 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286387863 VKDXDLLHKSBUBC-RTBURBONSA-N 428.558 2.307 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2nccn2C(F)F)CC1 1286484088 HJGPMBWQQGREKQ-UHFFFAOYSA-N 445.449 2.391 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286534126 BPAUEZUEHUHPBO-HNNXBMFYSA-N 441.351 2.486 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOc2ccccc2)CC1 1286632228 GILPEHIVKYEMNK-UHFFFAOYSA-N 444.967 2.354 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC1(NC(=O)OC(C)(C)C)COC1 1286717291 ZXISYJJIPVIMFU-UHFFFAOYSA-N 436.557 2.112 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1286745970 ZLMAZYYYFMIRRD-UHFFFAOYSA-N 443.523 2.274 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286783171 MJQBKAQZCRNVLI-XMMPIXPASA-N 436.560 2.404 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1286789764 KPVFVQGDTKXAKT-UHFFFAOYSA-N 436.560 2.240 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cc1 1286793386 DAVSLLWEECBOFI-FQEVSTJZSA-N 449.559 2.206 30 10 IEEE CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1292733213 BGLMIXFHSQCVKJ-UHFFFAOYSA-N 436.921 2.467 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1298329536 ZBWMDPYSGLGVIS-RTBURBONSA-N 444.561 2.062 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298595247 FKWUFOIBFUSONO-BVFVFODLSA-N 442.442 2.087 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)c1cc[nH]n1 1299367533 XYQIOQDFBUUQCD-FQEVSTJZSA-N 426.473 2.074 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCN1CCN(C(C)=O)CC1 1300571721 KOGHCYZWBOSOAB-UHFFFAOYSA-N 438.963 2.226 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1SCCc2ccccc21 1300664357 BUQFVEPOXKJYMI-RBUKOAKNSA-N 425.558 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2csc(CC)n2)CC1 1300719768 PJRKKFWPFSXRGF-UHFFFAOYSA-N 435.557 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2sc(C)nc2C)CC1 1300719845 SGDJZJLYCOWMPM-UHFFFAOYSA-N 435.557 2.428 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1300805922 LJCWIHQPCSYWDG-CDNPAEQRSA-N 442.585 2.470 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1300972293 JWZZPJKPTSQMFW-GJZGRUSLSA-N 431.459 2.263 30 10 IEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300996269 BJRHSICJMPHDGO-UHFFFAOYSA-N 434.544 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)OC(C)(C)C1 1301588828 KGEUFMKGIAHLQW-INIZCTEOSA-N 426.583 2.167 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302146874 XWXQVLPPCSBJED-DRBGZVQYSA-N 442.564 2.400 30 10 IEEE CC(C)(C)N1C[C@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1312209418 FLVPRKWDTOYNSN-GOSISDBHSA-N 435.532 2.179 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1314054519 IYPMEDIGHMQPDH-HKUYNNGSSA-N 438.532 2.259 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C(F)(F)F 1315172717 CBLIJKYVZAHQCL-HZPDHXFCSA-N 436.438 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1358898942 DBJUIWFZDUTVIP-IRXDYDNUSA-N 433.553 2.350 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1358932258 DYHFNIPNMRPBST-WMZOPIPTSA-N 444.605 2.415 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358932975 DJHFAQZERDIRGR-IBGZPJMESA-N 429.590 2.337 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358933850 GLTHLMKFTKRQQP-UYAOXDASSA-N 426.517 2.248 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1358959353 HEGFWNWKHAMZDK-QGZVFWFLSA-N 446.598 2.476 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358965773 AZMYGFYHZPTWAZ-SYYJFZTOSA-N 434.606 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(F)c(Cl)c1 1358968760 XWSJVYBBKRQROD-UHFFFAOYSA-N 429.883 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1Cn1cccn1 1358984079 HLBVHIUDZDJJFA-UHFFFAOYSA-N 429.528 2.172 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(CC)c1 1359002077 NCGCSRALUKWJJZ-UHFFFAOYSA-N 440.577 2.271 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccc(F)cc2F)CC1 1359023126 APGQITXBAGXQKI-SFHVURJKSA-N 429.471 2.325 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCSC2)CC1 1359032884 HNBVPHNQLQAJDS-QGZVFWFLSA-N 427.574 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1359044004 QWSZNDCERQFKFE-UHFFFAOYSA-N 435.576 2.411 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCCOC)C1 1359089613 LTPVRXHZLRWUAR-UFYCRDLUSA-N 447.580 2.127 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359098613 DAFFSPTVPKVPEZ-PZJWPPBQSA-N 446.596 2.032 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359132072 MKBXDBWIKQMFOI-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1359270266 JBYBVIKNVIRLNM-QGZVFWFLSA-N 446.577 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359330608 XJSGMOOIYXKVJP-MRXNPFEDSA-N 443.533 2.016 30 10 IEEE CC(C)(C)[S@](=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1359588873 AMROSXGQBZGJEY-PRYPKSPTSA-N 445.545 2.067 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1360261311 FUXDEEHYGVGOCU-INIZCTEOSA-N 447.337 2.351 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1360315508 CYMYGPIVEDPUST-IRXDYDNUSA-N 446.577 2.149 30 10 IEEE C#CC[C@@H]1CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1438016405 HEGUDRCJCCEDNG-QGZVFWFLSA-N 426.542 2.028 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 1438151657 HBRKAEFCQNSCNG-GOSISDBHSA-N 433.574 2.230 30 10 IEEE N#C[C@H](CCc1ccccc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1443607280 COQWCWKPLCZOEY-SFTDATJTSA-N 434.544 2.171 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 1446129847 QZLVPHWAJXEMFS-OAHLLOKOSA-N 430.530 2.342 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)c1OC 1464938468 FPZFFDBRFJTHOR-HNNXBMFYSA-N 430.461 2.150 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC)CS(=O)(=O)c2ccccc2)c1 1466316137 IGOLSJRPLYBHBO-GOSISDBHSA-N 433.551 2.466 30 10 IEEE O=C1C=COC2(CCN(C(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)CC2)C1 1472151013 SAPXUPYRGAUDQE-UHFFFAOYSA-N 430.482 2.236 30 10 IEEE C[C@@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1493843055 ABCGKVVGPQFVIF-YLJYHZDGSA-N 442.589 2.173 30 10 IEEE CCOc1ccccc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1502895945 DDBXDFLHHYJRCU-WMZOPIPTSA-N 431.562 2.417 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2nnc3n2CCC3)c1 1507549899 BEQHIRCYRAZAFK-UHFFFAOYSA-N 432.532 2.119 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(C)CN(C)C2=O)CC1 1507719706 ARHSDJIOEUOJCW-NRFANRHFSA-N 447.370 2.485 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(N(C)C)cc2)CC1 1507724442 POJOCLNGWQRTAK-UHFFFAOYSA-N 429.572 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1507740929 HRGIKBZZMYHWON-WOJBJXKFSA-N 442.608 2.216 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN1c1cnn(C)c1 1507763307 AAOQWTFGMRGRRM-YCRNBWNJSA-N 441.580 2.397 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1507980539 JHPJOZMYUMUNTH-QGZVFWFLSA-N 448.524 2.391 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1508100186 GFRJSARSPIXYFJ-IEBWSBKVSA-N 425.533 2.452 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOC1CCCCCC1 1508410686 FXJRBCJBCHNQTR-JKSUJKDBSA-N 426.587 2.224 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1c[nH]c2ccc(F)cc12 1510151198 NNQYOLQYXZWCIB-KBPBESRZSA-N 447.540 2.490 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(Br)n1 1511883841 AKXZBVDIZRIKEO-UHFFFAOYSA-N 439.321 2.386 30 10 IEEE CC[C@H](C)c1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1512839996 JILBCZVSEUIBSF-APFMSCDFSA-N 438.536 2.221 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1513537955 XSNCKCWSHRESBW-GOSISDBHSA-N 425.537 2.274 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538987147 QXXLWVPEIFKZGD-KGLIPLIRSA-N 439.944 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1539002127 QHZVPSWCQMAKNC-SFHVURJKSA-N 433.560 2.394 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1539046290 PYOYHRJXFXMRPQ-UHFFFAOYSA-N 430.597 2.112 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCOC1=O 1539257177 GTYFSYLLGPOEBC-UHFFFAOYSA-N 429.484 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1539272888 GEAGHOAPAXRUQR-HXUWFJFHSA-N 446.555 2.008 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OC)c2)CC1 1539475296 AWGMWBOHMZPFAD-UHFFFAOYSA-N 432.528 2.306 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539506508 JUNGSGLXJKUTKF-INIZCTEOSA-N 443.573 2.386 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC2(CC1)OCCO2 1539722808 SQQNFYUKEBJLMN-UHFFFAOYSA-N 433.553 2.229 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539751804 VADCFJSWALGCAE-BDTNDASRSA-N 446.640 2.370 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCOCC2)CC1 1539875404 XIPAGRCMWHMEJN-HNNXBMFYSA-N 443.639 2.203 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)OC(C)(C)C 1540505299 YTYHFDPECMJLND-UHFFFAOYSA-N 449.451 2.336 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540872735 ZBVCGHAUQYQDLI-FQEVSTJZSA-N 436.560 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1540907278 QOIKSESROUMDBZ-OAQYLSRUSA-N 431.537 2.496 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CC1(C(N)=O)CCOCC1 1541118810 HQOBAWYABPGITK-KRWDZBQOSA-N 435.532 2.159 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 1555100859 AYAHXWXIVYEBHR-QFIPXVFZSA-N 444.511 2.030 30 10 IEEE COCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555472184 RGRJQKCVXDPFJE-HKUYNNGSSA-N 440.552 2.323 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4cccnc4)n3CCCCCO)CC2)nc1 1555990695 GBMJEOGVWUIVPN-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@H]2CCOC2)CCO1 1555992379 PHLMAPWOROZVPT-VQIMIIECSA-N 442.476 2.025 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2c(N)noc2c1 1557102134 FKDSECMSXMMDNB-INIZCTEOSA-N 441.513 2.324 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)CN1CCC[C@@H](C(=O)OC)C1=O 1583506692 VBSXSSNDCWCPNS-CYBMUJFWSA-N 425.279 2.364 30 10 IEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CC#N)c3ccc(Cl)cc3)CC2)cn1C 1584821578 OCBVKSYHVLRCBM-UHFFFAOYSA-N 435.937 2.339 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCC 1587580237 OGIDGBQATZDBFZ-IIBYNOLFSA-N 433.578 2.204 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1588064595 LFQRCHMSYWKMMP-ROUUACIJSA-N 449.527 2.326 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1588482936 YRGKQMIWFAXZTP-HXUWFJFHSA-N 448.502 2.064 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1cccc(C)c1 1588560381 PPSPHCFGJJAZAD-IBGZPJMESA-N 425.533 2.376 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594813869 ZULGBROLPSQKHA-SFHVURJKSA-N 432.569 2.101 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1595562411 XZQZCHJSFDPMRV-QGZVFWFLSA-N 430.578 2.118 30 10 IEEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)CC1 1596020060 GRPDUXUJDUTUPT-UHFFFAOYSA-N 432.532 2.408 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1598201942 CVXNMBMSOLOYPJ-YKSBVNFPSA-N 438.576 2.382 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1613122762 DTGAQIADQMXVJG-HXOBKFHXSA-N 440.548 2.194 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1614655292 GBMODXMLNRCOFF-IBGZPJMESA-N 449.563 2.074 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615357382 JVYHCFVMJIIPEQ-IAGOWNOFSA-N 439.564 2.437 30 10 IEEE COC(=O)[C@H](CCC(=O)N1CCC2(CC1)CC(=O)C=CO2)NC(=O)OCc1ccccc1 1617947620 POHAJSWNTJFTIS-IBGZPJMESA-N 444.484 2.099 30 10 IEEE COc1cccc([C@@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1619333477 DBTZNLRRSMPUFS-FGZHOGPDSA-N 447.543 2.304 30 10 IEEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)c1 1619352750 MBWAJCUVLTWPAL-KRWDZBQOSA-N 432.475 2.412 30 10 IEEE COc1cc(NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)c(F)cc1C#N 1623349263 GOUHIQMAZVOTEY-UHFFFAOYSA-N 433.399 2.488 30 10 IEEE Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 1625121694 ZPWVVLPEVFWIPX-UHFFFAOYSA-N 428.470 2.230 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 1626669575 VSPHRLCUNCXGJG-LJQANCHMSA-N 449.573 2.216 30 10 IEEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)c2)CC1 1626836614 MJNMTSVVFATXNU-DHZHZOJOSA-N 445.516 2.373 30 10 IEEE CO[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(C(=O)N[C@H](C#N)CO)C1 1627548220 ANXAQSAJHJMTKA-YPBQGGFRSA-N 449.507 2.416 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccccn2)cs1 1627801615 XQGGTHDOHBWVNB-CYBMUJFWSA-N 427.511 2.060 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(Br)c(CO)c1 1628062520 NBLSLSWYQONBOR-NSHDSACASA-N 438.303 2.119 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)c1 1629135291 IOSOGGQKKNHBDV-OAQYLSRUSA-N 440.521 2.023 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1-c1cc(C(=O)OC)n[nH]1)C(=O)OC(C)(C)C 1632905298 ZRKHORGYFVAWCZ-UHFFFAOYSA-N 426.473 2.350 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](CC(F)(F)F)C1 1633615696 CIYLRMIEUFHNSG-HIFRSBDPSA-N 447.479 2.320 30 10 IEEE C#CCN(C(=O)CN1CCC[C@@H](C(=O)OCC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818248 OKUVYAFUXOEDIG-GOSISDBHSA-N 435.565 2.123 30 10 IEEE CC(C)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1637018981 KJUAWLDVNRRGAA-FQEVSTJZSA-N 426.517 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(I)cn2)C1 1638203792 WQNZGWMGSLAIKW-GWCFXTLKSA-N 442.257 2.175 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)s1 1640270594 GEVJETQOEJFWNY-DGCLKSJQSA-N 426.482 2.371 30 10 IEEE CC(C)O[C@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1643691521 FUNJBQOBBLYDQS-KRWDZBQOSA-N 427.505 2.344 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)NN3C(=O)c4ccc(Br)cc4C3=O)n2)c1 1643791587 CZYNJAATSZZQBQ-UHFFFAOYSA-N 436.225 2.447 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(=O)OC)nn2)CC1 1650899712 QCMIVCLYAOQPCR-MRXNPFEDSA-N 447.536 2.161 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@](N)(c2ccccc2OCC)C(F)(F)F)n1 1650986038 NSOFXBZGWHRIHI-HXUWFJFHSA-N 438.450 2.307 30 10 IEEE CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1cncc(C#N)c1 1652271494 OAKISEQYVOFCRA-IBHIWXBSSA-N 430.555 2.281 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1662187005 IAIJNYWPEFAAAV-UHFFFAOYSA-N 437.587 2.210 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1c(Br)cc(C)cc1Br)C(=O)OC 1662440997 LZOCIGPRSNNLSG-NSHDSACASA-N 439.125 2.363 30 10 IEEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccc(C#N)cc3)c(Br)cc21 1664416553 CSUORFKYHICDBZ-UHFFFAOYSA-N 449.330 2.032 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccnc(C#N)c3)C2)CC1 1673980334 GUXPZLSKOQIEOF-INIZCTEOSA-N 442.520 2.276 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 1681434563 PKLMLWJEHKKZDD-AHCXZYCDSA-N 448.545 2.050 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2Cc3ccc(C#N)cc3C2)C1 1685137226 ZTCLHFIVDRETER-SFHVURJKSA-N 448.545 2.008 30 10 IEEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1685561123 FGJJMYMHHOCVFK-YJBOKZPZSA-N 441.532 2.481 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1689850387 ATFDFQZOPCQSDT-MJGOQNOKSA-N 442.589 2.072 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1690109470 SKMVVBZMWRRIDM-SFHVURJKSA-N 434.535 2.485 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C[C@H]1CCCO1 1690163821 RVLMBYZOIJFOPK-LJQANCHMSA-N 438.561 2.293 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCn1cccn1 1690236010 HHNYOYYABKSZPG-IEBWSBKVSA-N 436.520 2.240 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1690442118 MWONODDLRMXNRY-ROUUACIJSA-N 434.585 2.456 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1690669825 PWOFNDNFQZMNSO-UHFFFAOYSA-N 438.532 2.163 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1690918063 OKOFPMWUVFPSII-CTNGQTDRSA-N 436.516 2.179 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCO[C@@H]1CCOC1 1691083235 VTYZWCAUQNAUKK-QGZVFWFLSA-N 426.521 2.306 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1692466906 BDCNJRDHUJPMKG-OAQYLSRUSA-N 434.548 2.259 30 10 IEEE C[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1692725462 IDWNFKZAELSCST-HLIPFELVSA-N 426.521 2.250 30 10 IEEE Cc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)s1 1693334608 CNPRBRXTLYOYGW-DNVCBOLYSA-N 434.591 2.432 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H](C(F)(F)F)O1 1693776059 WCJAPMCOLGAEON-BBRMVZONSA-N 447.425 2.050 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1693976829 WPAHKCYPNNMXAG-KUHUBIRLSA-N 436.520 2.275 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCNC(=O)C(C)C)CCOC1 1696046984 JAOBVTYISRBBFV-QFIPXVFZSA-N 432.569 2.223 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccccn1 1705623386 QBNBCJSTFLTGRT-UHFFFAOYSA-N 439.541 2.072 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCc1cnc2c(Cl)cnn2c1 1705625887 AOAPLUDWTFXBMW-UHFFFAOYSA-N 436.907 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)CCC(C)C)CC1 1705649313 SRPYEEWGAAPKAQ-DEOSSOPVSA-N 440.592 2.437 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705659058 KGJZJCGHTQJVNE-UHFFFAOYSA-N 443.548 2.389 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705703424 TXXPJYJCCZHUBP-DYXWJJEUSA-N 431.581 2.285 30 10 IEEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1705780444 NWSCWMXDIFTHER-UHFFFAOYSA-N 442.545 2.431 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1705852138 LFDWNKQIBAYNEB-QGZVFWFLSA-N 439.486 2.487 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1706923677 KVILIOCWGKTZAJ-LZWOXQAQSA-N 443.483 2.284 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 1707826918 YWYLAZXCHZPLQE-QVKFZJNVSA-N 446.531 2.495 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCn2cccn2)c1 1722310139 TUNLVJVMWBAXKJ-IBGZPJMESA-N 433.516 2.125 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722340512 APVUGSOJUXEUHJ-SIKLNZKXSA-N 428.537 2.138 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)C1 1722710853 PDFGNSRZLUKDAK-QLFBSQMISA-N 433.525 2.105 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCOCC1 1731059790 AQGGLNGQPCZELB-INIZCTEOSA-N 440.573 2.396 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1740548377 AOCZYLCSPJFZOY-OLZOCXBDSA-N 427.452 2.100 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740577691 MMBJRBLZZKGXAO-UHFFFAOYSA-N 438.576 2.179 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1740589804 BQTOQALPKZNCFD-MSOLQXFVSA-N 433.553 2.473 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1740662611 VHUMOLSSKAJAOP-MRXNPFEDSA-N 428.562 2.494 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740721377 HDAWBVIJCRJQCR-SFHVURJKSA-N 440.573 2.054 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ncnn1CC(F)F 1740756408 HLRXDDVNSNUWKN-RDTXWAMCSA-N 445.478 2.209 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740767917 RXSQEYYXUIZJMK-UGKGYDQZSA-N 437.548 2.389 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC)C1CC1 1740910593 QOYBCNJASKYUBH-HNNXBMFYSA-N 432.546 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CC1CCC1 1740958489 BJAFWZNASVUIGV-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1748771214 IZJRFHGKWWLQEQ-WOJBJXKFSA-N 438.450 2.450 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCNS(C)(=O)=O 1748798690 FTDRKWFRKSDDNX-UHFFFAOYSA-N 433.578 2.163 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1Cn1cccn1 1748829736 IOKJCVREKANKRG-RUZDIDTESA-N 444.539 2.296 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)C1 1749125805 YGEFFMUZRAUICM-IERDGZPVSA-N 441.532 2.222 30 10 IEEE C=C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1749298696 GGMBOXUYZXQLLZ-HXUWFJFHSA-N 425.581 2.383 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1749387395 ZESKFSOSTSPDNE-QGZVFWFLSA-N 426.583 2.252 30 10 IEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1749450479 IQRVRSFMEKXMNL-GOSISDBHSA-N 444.923 2.183 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C)C1 1749651235 QEDKGOICXBPIJD-SJORKVTESA-N 429.521 2.344 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)o1 1751493639 BHWDQCMXHZHVPR-KSZLIROESA-N 428.537 2.463 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1760110265 CEWOXTQITRCFBT-IRXDYDNUSA-N 449.559 2.438 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1760125411 YXPYGACEHYAZPQ-INIZCTEOSA-N 432.463 2.478 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189465 JAVYLEFECPQAJH-YQVWRLOYSA-N 448.614 2.372 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760190606 XVNPJVGEHDGJRQ-IPMKNSEASA-N 443.573 2.090 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1760197265 YYANEQNQMUUUFC-VWLOTQADSA-N 449.555 2.190 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCC1 1760221784 KMLCXYWBHKZRRN-UHFFFAOYSA-N 446.599 2.021 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1CCOCC1 1760323967 HXUZCPDBAMRYJC-GHTZIAJQSA-N 446.621 2.383 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1760516557 QHTAKKSYOVMHEM-OAHLLOKOSA-N 446.527 2.210 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1761356317 DWYGPYBQPDAJSG-DLBZAZTESA-N 449.519 2.064 30 10 IEEE CCc1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763048512 RWYRAOBVHVJMIE-QBEKEKFNSA-N 438.536 2.022 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CCC[C@@](C)(C#N)C1 1766847975 IDWFCXIMVHZHIT-XXBNENTESA-N 427.597 2.303 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccccc1F 1769034208 CIJCCBGYYCOEDS-OAQYLSRUSA-N 425.443 2.295 30 10 IEEE COCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1769573281 DTICJQQIWSKWQL-QGZVFWFLSA-N 439.520 2.251 30 10 IEEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1769699842 BOZTVZORPZVEOD-JOCHJYFZSA-N 444.511 2.127 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1769818571 ATQIAHCPIYFWBF-HOYKHHGWSA-N 448.527 2.405 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1771020685 YRLCRVAXILUOAD-UHFFFAOYSA-N 442.520 2.434 30 10 IEEE CN(C)c1ccnc(N(C(=O)C2CN(S(C)(=O)=O)C2)c2ccc(Cl)cc2)c1C#N 1851169046 MZLWDVVOFGEJTL-UHFFFAOYSA-N 433.921 2.229 30 10 IEEE C=CCN(C(=O)[C@@H]1CN2CCN1CC2)c1nc(SC)nc2c1cnn2-c1ccccc1 1852679406 QYBUXPOTALQRFU-SFHVURJKSA-N 435.557 2.056 30 10 IEEE N#Cc1ccc(CC(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)cc1 1852720656 QEUARAJTWRBVKT-IBGZPJMESA-N 426.494 2.109 30 10 IEEE CC[N+]1(C)CCC(N(C(=O)c2cnc(C#N)nc2)C2CCN(c3cc(C)[nH]n3)CC2)CC1 1853593390 RHUSJPFYQBBQNS-UHFFFAOYSA-N 437.572 2.120 30 10 IEEE N#CCC(=O)N1C[C@H](CN2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)CCC1=O 1854357648 RZSJOPLTLHYANJ-MAUKXSAKSA-N 437.949 2.180 30 10 IEEE C=CCN([C@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1856721072 HFNQTPGIZJNYPE-RBUKOAKNSA-N 428.920 2.256 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 1858421975 IXLRNNXLVGAAKM-GOSISDBHSA-N 442.516 2.057 30 10 IEEE CCCOc1ccc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC 1860734743 PETWMQKGFOUUNI-UXBLZVDNSA-N 432.498 2.030 30 10 IEEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)/C=C/c2ccc(Br)cc2F)cc1 1860736309 IAXUECAKJRBDJX-XBXARRHUSA-N 441.278 2.134 30 10 IEEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 1860951789 OGSHFSRIYFIKGS-QGZVFWFLSA-N 425.876 2.159 30 10 IEEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870811248 PYUFQWLOOUPMST-UHFFFAOYSA-N 435.546 2.488 30 10 IEEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677578 SHOXITBPSHRBOZ-UHFFFAOYSA-N 432.912 2.062 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC(COc3cc(C#N)ccn3)CC1)CS2 1891162601 VDDXUIZUUJZOQR-SFHVURJKSA-N 439.541 2.481 30 10 IEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](N)C#CC(C)(C)S(C)(=O)=O 1901325993 OPAAHRQVKDHZIQ-LJQANCHMSA-N 437.606 2.167 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2009819655 LZZWANYWFFXGRB-HYBUGGRVSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)NCC12COC(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)(C1)C2 2086117935 DRFGPLKWOABLAD-NNAHLOSHSA-N 440.544 2.297 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCc2cc(C#N)ccc21 2189926198 LFGKLBYSTQXSOE-NRFANRHFSA-N 427.457 2.275 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C 2242691081 JLIYMQQMUYKWJQ-JKSUJKDBSA-N 427.542 2.334 30 10 IEEE C=C(CS(=O)(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435462 QUVXPDKUNOHMAS-UHFFFAOYSA-N 430.376 2.491 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](OC)C2)C1 2247560224 QQRVUDPJJCBGLW-OJLPUSQMSA-N 437.537 2.044 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)CC1)B1OC(C)(C)C(C)(C)O1 2249482251 LEJRYQQWXCWKJX-ZDUSSCGKSA-N 440.293 2.037 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644673 BLXAMZPTRPTJHI-MNOVXSKESA-N 447.288 2.114 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(C)(C)CNC(=O)OC(C)(C)C 2255821591 DYXNFBARCULICF-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE Cc1c(C(=O)N(C)CCCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829232 LHPLBAAGJNPSNF-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2255832088 HJVXVAPGZVNZOE-STQMWFEESA-N 449.382 2.346 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255878918 HMGPGQKNRYHEPI-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267166782 XGHOILFCUWMCJJ-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CCOCc3ccccc3)CC2)n1 2267186878 PZFISLAIOGEAMT-UHFFFAOYSA-N 440.353 2.231 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267191662 GFJCHBQIWWWTRM-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267503436 DDNKQPRDIOWGNZ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1cccc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267602192 IKJDLHICBDZJLM-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2268690770 AKKQKEHYCWLPGM-OAHLLOKOSA-N 448.373 2.447 30 10 IEEE COc1ccccc1[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)C(=O)C(=O)N1CCOCCO 2296928537 YPPGTQWTRICSDP-LJQANCHMSA-N 442.424 2.034 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2303147757 QJUYZGIUGLAUGV-KBPBESRZSA-N 428.310 2.001 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2337192218 JHNAULOJQQHCJV-CQSZACIVSA-N 448.373 2.237 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC 2352311989 VSDQSFPLZGKKFD-BRWVUGGUSA-N 427.339 2.289 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367793781 DPJOIFCHSCPSLB-IRFCIJBXSA-N 435.542 2.134 30 10 IEEE N#Cc1c(NC(=O)CCN2CCC[C@H](C(=O)N3CCOCC3)C2)sc2c1CCCC2 9983535 GLFNHOWPIDBLID-INIZCTEOSA-N 430.574 2.398 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3F)n2N)c1 20528111 SBBKBFJQBKOEDG-LSHDLFTRSA-N 442.480 2.266 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@@H]3[C@@H]2CC=CCC2)C1 256033223 MOVZCVQOLZMIGM-FPCVCCKLSA-N 425.489 2.493 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCN1CCN(c2ccccc2Cl)CC1 301376604 RQYLARYLEZZIEA-UHFFFAOYSA-N 433.965 2.483 30 10 IEEE COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)[C@H](C)n3cnc(C#N)n3)c2C)c1 409906310 OQBQIAKGYCMGKK-LPHOPBHVSA-N 435.488 2.122 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 410146918 DZGJCJZRJJKVKF-NSHDSACASA-N 427.328 2.050 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)c1 430666073 LOKLTSNGPURTJJ-UHFFFAOYSA-N 426.447 2.019 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cc1 435816890 JCUDDIMKGUXKQI-UHFFFAOYSA-N 425.510 2.132 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 439930937 IJMUYBHCNNVEHD-HNBVOPMISA-N 435.436 2.311 30 10 IEEE CCOC(=O)c1nnc(SCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)s1 447329250 IPBJHOCFRQOFAE-HNNXBMFYSA-N 431.543 2.216 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1ccccc1 460808455 JAIXTQWBQFTNRA-LJQANCHMSA-N 433.578 2.256 30 10 IEEE COc1ccc(CN2CCCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2=O)cc1 466912307 HZNJTZMLWFNCSL-UHFFFAOYSA-N 445.483 2.414 30 10 IEEE C=CCN(C(=O)Cn1c(O)nc2ccccc2c1=O)[C@H](Cc1ccccc1)C(=O)OCC 474203566 JFURAIPEAWLQOU-HXUWFJFHSA-N 435.480 2.291 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CC(=O)OC)c2cccc(F)c2)c1 476767545 QYCYZRVXWNWTEV-OAQYLSRUSA-N 434.489 2.498 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 480111339 SISFHANRPPVGSC-YVEFUNNKSA-N 447.314 2.369 30 10 IEEE CCc1ccc([C@H](C#N)NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 489955002 QVFSNJVWJGAOGK-IBGZPJMESA-N 429.546 2.371 30 10 IEEE Cc1cc(N2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)n2ncnc2n1 505609508 KXDMLLDBVPTWEU-UHFFFAOYSA-N 448.506 2.009 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 505648174 NXHKGFIDOWQRGI-GOSISDBHSA-N 447.491 2.267 30 10 IEEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1C[C@@H]2CC[C@H](C1)O2 508509690 ONSHIRJQOFDUOR-HDICACEKSA-N 429.546 2.283 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Oc2cnccn2)CC1 508812111 VMAUJADBHUPSJD-UHFFFAOYSA-N 440.529 2.372 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 512234962 PJOZAHAEMANXEV-FQEVSTJZSA-N 433.512 2.070 30 10 IEEE CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)Nc1ccc2c(c1)OCCO2 533606405 GFOYEPBBABIOQW-UHFFFAOYSA-N 429.498 2.064 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](c3cccnc3)C3CC3)CC2)cc1 535415102 PHMYRQIDRKTLRU-FQEVSTJZSA-N 425.514 2.120 30 10 IEEE CN1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 536262930 JMUVMYOFFCMBBR-VWPQPMDRSA-N 431.496 2.325 30 10 IEEE COc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1OCc1cnn(C)c1 544833838 UDSFUKWYAGGAFE-UHFFFAOYSA-N 432.484 2.237 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)cn1 547318784 NPCSICJADQDUBJ-UHFFFAOYSA-N 425.456 2.369 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC1 555483989 IVUFFNGRKVXESH-GOSISDBHSA-N 438.532 2.372 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](C)C1 558991230 GARUIGFFGPQCEO-IBGZPJMESA-N 440.596 2.185 30 10 IEEE CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 565854966 PGKDJQJXHUZOOO-IBGZPJMESA-N 432.889 2.238 30 10 IEEE COCc1nc([C@@H]2COCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)no1 568142005 KIPMNDMRXGPPLE-SFHVURJKSA-N 429.452 2.043 30 10 IEEE COc1cc(CNC(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)ccc1C#N 574564117 VVEDTTKUZGLVQO-INIZCTEOSA-N 439.468 2.262 30 10 IEEE COc1cc(N[C@@H]2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)cc(OC)c1 586863970 GSFQHQQEJOLAOO-QGZVFWFLSA-N 440.475 2.434 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1Cl 604023848 YXMCZPXWFHHAQE-UHFFFAOYSA-N 445.975 2.405 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732702041 XPFCMYMCKIXTHQ-QFBILLFUSA-N 433.578 2.160 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@]1(C)CCOC1 733075329 IZOQVXSBMBNWID-PGRDOPGGSA-N 432.590 2.421 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)s1 752190847 OBTWYWRWLSJOCY-UHFFFAOYSA-N 442.610 2.068 30 10 IEEE COCCOc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nc2ccccc12 759173102 RLBLBZYSHYVYAA-UHFFFAOYSA-N 425.466 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2Cn2ccnc2)[C@@H](C#N)C1 759506624 ZUKGTBVWRNWSEC-KRWDZBQOSA-N 431.518 2.065 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2)C1 760301945 PBBNVSJCGXWXDM-IRXDYDNUSA-N 429.546 2.091 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1OCC#N 760796361 WKMPHWKQVWDXLB-UHFFFAOYSA-N 433.461 2.310 30 10 IEEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 761038305 QFSDICJUJQBIHV-YJBOKZPZSA-N 429.521 2.362 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)cc1F 773354739 OUDWMGKXDKVPEZ-UHFFFAOYSA-N 436.259 2.238 30 10 IEEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 781002778 XEZMCURDDIJEKE-CVEARBPZSA-N 443.525 2.094 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1F 787058030 HJBFSOUJMPBJHM-CRAIPNDOSA-N 438.415 2.421 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)ccc1F 791485723 FGSZYZPDSLDLNI-CQSZACIVSA-N 442.459 2.149 30 10 IEEE Cc1ccc(N(C(=O)COC(=O)c2ccnc(C#N)c2)[C@H]2C=CS(=O)(=O)C2)cc1C 795977588 XHJGFYQGRMQXON-IBGZPJMESA-N 425.466 2.071 30 10 IEEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1F 802349162 GIOPOZHLULZSKB-KRWDZBQOSA-N 438.463 2.126 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1cncn1C 809939364 OZOCFWTYOHOXCZ-LJQANCHMSA-N 442.589 2.318 30 10 IEEE C#C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1 812486394 NNIAAPLQNNRURW-GOSISDBHSA-N 432.477 2.456 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 814389956 RCKFYMJXBPRKHA-UHFFFAOYSA-N 426.482 2.197 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccnc3c2CC(=O)N3)cc1 1136331620 FKRMXGYVXIELOY-XIEYBQDHSA-N 441.513 2.422 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1138043083 USGVNCCYUIWMMV-KRWDZBQOSA-N 426.542 2.457 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 1174783761 UYCNHEGPCVSSNU-OALUTQOASA-N 447.557 2.212 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(c3cc(C#N)c(Br)cn3)CC2)cc1 1185476659 BEGIXLHQGUBHQJ-UHFFFAOYSA-N 444.333 2.276 30 10 IEEE C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1191927684 CTMSIRAPVKPBQU-ICSRJNTNSA-N 425.533 2.487 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CC1 1196065310 WVSJTFLNFUCZEH-CRHMLJOSSA-N 436.556 2.423 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1)c1ccc(Br)cc1 1220108706 CDFPKWDSKJQTKI-INIZCTEOSA-N 441.285 2.496 30 10 IEEE COC(=O)c1cc(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n(C)c1C 1246105845 MIMAGLVFRBMZFV-UHFFFAOYSA-N 449.515 2.192 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](c2ccc(F)c(F)c2)c2nccn2C)n1 1251505701 RPVHIOZPHXDKTC-FQEVSTJZSA-N 442.470 2.476 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286386624 DZEXKTHSCATNAG-NRFANRHFSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286391827 DYRGAGZMGQCIGL-GOSISDBHSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1c1cnn(C)c1 1286413494 VJFFSKSFEMZPNJ-LJQANCHMSA-N 434.573 2.109 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCN(CC)CC1 1286437937 PHVXDVTURUVULN-GOSISDBHSA-N 425.537 2.339 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1286570325 UZXBLCBPZJOPRK-XLIONFOSSA-N 426.583 2.300 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N2CCOCC2)CC1 1286653813 AQZCXTFCQZUHKO-UHFFFAOYSA-N 449.353 2.297 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)C1 1286809147 GRCLTXNTCSWKKG-LCUVTVSSSA-N 432.546 2.341 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCc2ccco2)C1 1286811615 GBMPJXLBDKLDKC-SFHVURJKSA-N 442.545 2.325 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc[nH]n1 1290385437 AYQYAFFFVLRKTP-UHFFFAOYSA-N 441.419 2.336 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1291250077 NNTDVOOGDGRSCV-VAKVLEPSSA-N 446.577 2.029 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@@H](C)O1 1291278820 CPSUAILHQAOFTE-MBOZVWFJSA-N 427.505 2.148 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)c1 1291626825 IDGXHENWCWPIAD-JJIBRWJFSA-N 447.517 2.430 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cc1 1293115325 BSFLBRRMJRUFJR-UHFFFAOYSA-N 434.540 2.419 30 10 IEEE C#CCCN1CCC(NC(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1293933072 OZGTUMGBWIPKSR-UHFFFAOYSA-N 441.576 2.356 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1297605034 CMVDIUMKCJLBQA-JOCHJYFZSA-N 437.592 2.315 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1300305254 SYWRUEMZSHQTNX-MRXNPFEDSA-N 449.559 2.295 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1300502045 PSYYKVVWOVITPI-IAGOWNOFSA-N 436.628 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCCC2)nc1 1300545212 LYVWFXXSAPZIIA-UHFFFAOYSA-N 428.544 2.256 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCOCC1 1300663633 CATDVASEPFKSJR-UHFFFAOYSA-N 446.555 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCCCC2)CC1 1300723654 YTLGSZNSLBVNCA-IBGZPJMESA-N 429.565 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](OC)C(C)C)CC1 1300729195 QCJIKDKQBKOQTC-IBGZPJMESA-N 444.605 2.271 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1300780333 PSYADJRHQWHCCE-HTAPYJJXSA-N 445.589 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CC1(OCCOC)CCOCC1 1300809104 SWYUDZCJZAGFEP-HSZRJFAPSA-N 439.560 2.468 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300884901 MQEHODAYXKJZIT-OALUTQOASA-N 437.610 2.389 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(NC(C)=O)nc1 1301278260 JJSDEWHITLHSII-UHFFFAOYSA-N 440.529 2.373 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301499628 CRXWKBGENWVJBP-HXUWFJFHSA-N 438.576 2.418 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnccn1 1301531143 DGCVTRJNUYNSLC-UHFFFAOYSA-N 433.516 2.440 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCN(CCC#N)CC1 1302596012 ARJIOQAATJVLKF-IBGZPJMESA-N 444.532 2.071 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC[C@H]3CCOC3)CC2)c1C#N 1304731209 NHQGKTXMLPZLTF-SFHVURJKSA-N 426.569 2.143 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1306484179 GLELIHZYJLBSKS-PKVWGGKHSA-N 425.489 2.055 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1 1307237575 DWWMNGVZWBWMIT-DEOSSOPVSA-N 430.464 2.490 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccc(C(N)=O)c1 1316281868 KDGURBPMGQPRQN-OALUTQOASA-N 438.532 2.279 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CC2=O)cc1 1353332066 GAPTYGLBKQQYTP-OFNKIYASSA-N 445.523 2.234 30 10 IEEE CN1CCC(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC1 1355382090 FDFUTCJMTPCAAV-BSYVCWPDSA-N 436.578 2.329 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1358881574 IWAZDEQJGQQJHH-INIZCTEOSA-N 426.546 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCCCO1 1358976631 LGVBIGVTYBLTIJ-SFHVURJKSA-N 430.512 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(CC)CC)CC1 1359032859 GKIXOWRFPHELRD-UHFFFAOYSA-N 433.560 2.221 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CC(OCC)C2)CC1 1359038068 JHHFIHUBVMGTFJ-UHFFFAOYSA-N 437.588 2.139 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1359064038 JUQUSJRNJBKEDF-IIBYNOLFSA-N 449.552 2.489 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1359213667 CCCRFICPUDPJHW-INIZCTEOSA-N 445.593 2.167 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC[C@@H]1OC 1359279532 KKDCIRASAWQCDO-XLIONFOSSA-N 430.505 2.364 30 10 IEEE C[C@@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1360834609 HSORYFVILXNXEW-SJORKVTESA-N 439.289 2.283 30 10 IEEE C[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 1447714829 SIVNDRKNQNKBGT-KXBFYZLASA-N 447.557 2.286 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncc(C2CCOCC2)s1 1449783956 KYFNCQTVFPCRSI-UHFFFAOYSA-N 434.543 2.495 30 10 IEEE N#CC1(CC(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCOCC1 1457579043 PGPPHIRFPGALGD-UHFFFAOYSA-N 449.349 2.242 30 10 IEEE C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1460887500 WARRKHKBUBDZRA-SFHVURJKSA-N 437.562 2.085 30 10 IEEE COC(=O)c1ccc2c(n1)CN(C(=O)COc1cccc(Br)c1C#N)CC2 1463362314 ZUKJNMVLBVVBOM-UHFFFAOYSA-N 430.258 2.466 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCC2)cc1 1464344104 XRYHQTRNWNXQOA-NKFKGCMQSA-N 435.550 2.024 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1 1466087096 IVPKONYKBBWAJH-KRWDZBQOSA-N 433.436 2.187 30 10 IEEE Cn1cc(CNC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 1466803044 ZCTDTJVSEDZTOS-FPOVZHCZSA-N 444.413 2.386 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)COc1ccccc1C#N)OC2=O 1471943978 SVPDUHRUILECLZ-QGZVFWFLSA-N 443.500 2.386 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 1475418314 FRJXOOOOFRKGFG-GFCCVEGCSA-N 447.460 2.456 30 10 IEEE COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478447098 CNPMFAYDTUZLTD-PRXAMGSTSA-N 442.335 2.098 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)SC)CC1 1504537771 HDZXELAHIGXSQW-OAHLLOKOSA-N 428.562 2.300 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1504658644 BZJUEZYZHFYCRP-UHFFFAOYSA-N 449.515 2.447 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncn(-c2ccccc2)n1 1504966065 QYGCIOVUDPALPO-IIBYNOLFSA-N 440.483 2.073 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507515007 RINIOKINIRRUNL-XLAORIBOSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507635130 SMUHCSQUOPUHFF-PMACEKPBSA-N 430.574 2.491 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)OC 1507672065 UCAVUVIPTADPKI-RBUKOAKNSA-N 445.564 2.474 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@H](C)CC 1507686913 IKEYGHIKYZPICN-QGZVFWFLSA-N 431.610 2.428 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1507731928 FGNRXVIEPXFJSP-LJQANCHMSA-N 447.486 2.045 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1507812653 OELCESUWYUAIAR-KBXCAEBGSA-N 427.596 2.260 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1507820939 QEIRNRZGRDOIDV-LJQANCHMSA-N 433.578 2.370 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507869773 XKWVEZJKDPJSGQ-IFXJQAMLSA-N 440.928 2.170 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1507944039 LTAWJXWBVJQHOC-HOTGVXAUSA-N 444.565 2.145 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1)C1CC1 1507988271 RHGAARNPTZVUSB-OAHLLOKOSA-N 429.550 2.048 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)C)CC1 1508074835 NRORJLPMJXBTTN-QGZVFWFLSA-N 430.528 2.390 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1508092501 ZHQWGLAGDPNLTN-LSDHHAIUSA-N 431.459 2.370 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@]1(OCC)CCOC1 1508099193 VYQQTFLRPRHLJW-QFIPXVFZSA-N 447.486 2.073 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(C)c2)C1 1508127898 XBYVBTPVAAHRNT-ZWKOTPCHSA-N 434.537 2.457 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508147218 HCUPQPDFIGQYRI-MRXNPFEDSA-N 436.626 2.467 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOc3ccc(F)cc3)CC2)c1C#N 1511664642 YQPPVINPNXEPKT-UHFFFAOYSA-N 438.511 2.435 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1512436213 VPRCOKKLORWDOO-DMIMOZFVSA-N 441.561 2.140 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C[C@@H]1N1CCOCC1 1514140477 NLDWDURXAYTBQA-GIVPXCGWSA-N 442.539 2.348 30 10 IEEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1515183837 BGCPDQQARAYWAN-GOSISDBHSA-N 431.500 2.360 30 10 IEEE COc1ccccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1518418997 CNANATBJXYMIGI-AWEZNQCLSA-N 427.486 2.090 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1518642978 GOZVRWIVEATKLA-PKOBYXMFSA-N 426.496 2.250 30 10 IEEE CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1coc(C#N)c1 1522933317 SYAKMFVNPZQXJJ-UHFFFAOYSA-N 432.502 2.492 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCC(O)CC1 1539252198 ZZOYOFGSTJELKF-UHFFFAOYSA-N 428.540 2.413 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1539431035 OJXADUDYJWJFHJ-REWPJTCUSA-N 436.604 2.162 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539496937 DCNXKHCUANOFDJ-JOCHJYFZSA-N 441.557 2.045 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1539600257 POSZDFTZIBSWFP-YOEHRIQHSA-N 445.383 2.096 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)=O)CC1 1539641944 GZVMXFJDVOTRMX-IRLDBZIGSA-N 441.580 2.180 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1540862193 UYTKQTMGIQXBHI-FPOVZHCZSA-N 425.533 2.079 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540867023 IAFYWWVLOGZXDY-LJQANCHMSA-N 446.559 2.451 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C)C2)cc1 1540877939 JUQWXLGLVFXOOM-SJLPKXTDSA-N 432.546 2.018 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CC1 1541205673 VBDRKVMTAUWXJZ-KRWDZBQOSA-N 446.552 2.241 30 10 IEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1542376936 FEALLDAWSJAPOS-UHFFFAOYSA-N 444.543 2.366 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCN(C)C(C)C)n1 1543050637 ZYXNHBSIKDZZMP-UHFFFAOYSA-N 449.563 2.015 30 10 IEEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCNC(=O)C1CCC1 1543291278 CGBLGOGKJJYIMP-UHFFFAOYSA-N 435.576 2.477 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)c3ccccc3)C2)C1 1543731732 WLIXEWOSXZYCBI-JQHMZKTJSA-N 447.557 2.363 30 10 IEEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1545637828 BQOJGMMVWBMRQL-SFHVURJKSA-N 440.548 2.460 30 10 IEEE CC[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1545638525 ODVCDRBWHRQXPH-MSVBSMQLSA-N 440.552 2.148 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1545694250 MJTNHDJURPICAX-OAHLLOKOSA-N 446.515 2.180 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1552885512 IBFYPWXJYHNRNY-INIZCTEOSA-N 438.504 2.190 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccncc1Cl 1555665576 XZFPEZBOVOBSMD-MAUKXSAKSA-N 445.955 2.275 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3cccnc3)n2CCCCCCO)CC1 1555989912 AJMVALYVSBDNLN-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CCC3)[C@](F)(C(=O)OCC)C2)ccc1F 1557459451 NXZUEKIHPRSCBI-HXUWFJFHSA-N 442.484 2.188 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 1561957224 VEEAUZAVSGEKET-UHFFFAOYSA-N 442.379 2.434 30 10 IEEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2)cc1 1565227606 IFFLRFCFNHYDJW-FGZHOGPDSA-N 435.528 2.325 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCN1CCOC1=O 1565560660 HTIUCENBQPDNDU-SFHVURJKSA-N 428.489 2.351 30 10 IEEE C=CCCC1(CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCC1 1584403087 KAMWCMZSVBQTNW-UHFFFAOYSA-N 428.576 2.011 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1587718558 IIKMPYCKEFXHOJ-QGZVFWFLSA-N 443.573 2.209 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN(CC)C(=O)OC(C)(C)C 1587979652 WHRYQJMHNSGYLL-UHFFFAOYSA-N 430.509 2.332 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588059859 WKMFUHUJLUBBAA-LJQANCHMSA-N 435.638 2.369 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccsc1)N(C)C 1588089184 GLCDBBWIPDHXPP-KNQAVFIVSA-N 427.574 2.367 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N(C)C 1588229601 YYJSFGFGKCSMDO-MSOLQXFVSA-N 445.614 2.008 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1 1588481857 MNURVQBJIRNEDD-LJQANCHMSA-N 434.475 2.460 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCOC2CCOCC2)CC1 1588800422 FYUNRRNGTZNZKR-UHFFFAOYSA-N 439.560 2.295 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCCS(C)(=O)=O 1589559155 NQPLZSPZMVMIRO-UYAOXDASSA-N 433.578 2.116 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1594956535 NGSVULBZRAINNB-JOCHJYFZSA-N 434.585 2.081 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc([C@H]2CCCC(=O)N2)c1 1596365072 AIQWPTKFGODNTQ-GOSISDBHSA-N 440.525 2.485 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1596806040 CALFHFZXXRNWBN-NQIIRXRSSA-N 448.575 2.355 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1603011885 JGEIZNDJWCIOND-IBGZPJMESA-N 446.577 2.293 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC2)CC1 1617220834 MZEKDWNOXJSLJH-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE COC(OC)c1cccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1619015055 MHQURSBTTKZICZ-FQEVSTJZSA-N 434.500 2.332 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cnc2ccccc21 1619990130 OGRDRIMJQFCVLA-IIBYNOLFSA-N 427.484 2.494 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(S(C)(=O)=O)cc1 1620084820 LHCGXWABXMBPRN-IEZWGBDMSA-N 447.561 2.050 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(NC(=O)C4CC4)CC3)C2)C1 1625675164 DBCHPBSSGROTAR-WCCYLALTSA-N 430.549 2.290 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 1626374630 UXMZXDDTQFCELO-UHFFFAOYSA-N 434.924 2.232 30 10 IEEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1626963306 YFWGZAZBIYYWOJ-OAQYLSRUSA-N 442.541 2.285 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1 1629500161 GRSDRSWPPXDHBT-UHFFFAOYSA-N 449.891 2.261 30 10 IEEE C=CCn1cc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)nn1 1630445815 ONWOKTLSQAFMJC-UHFFFAOYSA-N 433.440 2.473 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)cc1 1634291414 BJDANYPPPQTOOE-QGZVFWFLSA-N 439.273 2.050 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C#Cc4cccs4)C3)[C@@H]2C1 1636432584 NKRBSVVFYCXTDY-UAGQMJEPSA-N 431.514 2.141 30 10 IEEE CCOC(=O)c1sc([C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)nc1C 1636756803 YDMPJBYESJZYEC-INIZCTEOSA-N 426.498 2.246 30 10 IEEE COc1cccc(C[C@@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)n2nnnc2C)c1 1639265048 AYYSBGPFSSSWQS-GGAORHGYSA-N 445.527 2.383 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc(Cn3cc(Br)cn3)on1)C2 1639992728 FCVPARARYKRPAO-UHFFFAOYSA-N 433.291 2.396 30 10 IEEE N#Cc1cn(CCC(=O)N2CCc3cc(Cl)cc(Br)c3C2)c(=O)nc1O 1645397857 JKSSFVYGYCSNSG-UHFFFAOYSA-N 437.681 2.211 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)n[nH]2)c1C 1649368286 ICEILICLMCQBOJ-INIZCTEOSA-N 433.516 2.184 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2S(=O)(=O)c2cc(Br)ccc2C#N)O1 1669190229 ANFYMLDJWMBYNT-RABLLNBGSA-N 443.319 2.193 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1671200068 ZPGXEOKXEPJTGE-QGZVFWFLSA-N 436.530 2.126 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1672803767 HQFOBGKLIGUDEG-CABCVRRESA-N 425.279 2.483 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@H]3CSc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1680741395 JTVKLKDBLXPJBI-NKFCBESUSA-N 442.360 2.176 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)cn1 1685160286 IFPPFQJBCBLTEE-UHFFFAOYSA-N 446.555 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1689827213 BISTXFFYYLKDIP-KBPBESRZSA-N 425.942 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1689849937 UQYLWHWXWQIZBI-DZGCQCFKSA-N 434.342 2.127 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1689850392 AVRHUUFLAOPYPM-VXGBXAGGSA-N 447.508 2.356 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ncnn1-c1ccccc1 1690022400 DENKSFHJKWSSEE-UHFFFAOYSA-N 428.525 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCN1CCCS1(=O)=O 1690038073 BPTVJPSZIJQBRT-UHFFFAOYSA-N 425.558 2.006 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)c1ccccc1 1690048333 HYIGGVNZEQSUGW-UHFFFAOYSA-N 427.574 2.308 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1690077369 NFWOGIVQFXKEDW-ZCNNSNEGSA-N 435.638 2.398 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1690299398 QCMIEOOAVCOJPA-HSZRJFAPSA-N 443.523 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC(C)(C)C1 1690668562 AGHVXIHJVLLPJN-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1690715312 IHMHXFKZSWJCOR-UHFFFAOYSA-N 441.598 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690724688 UKTJPWPXAXRSOA-UWJYYQICSA-N 440.610 2.414 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCCC2)CCOC1 1692596996 XZAXYSVALIFMDE-AVRDEDQJSA-N 433.553 2.133 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695895598 NVYFNQUBQMOTKN-SIKLNZKXSA-N 433.576 2.379 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](CC(C)C)N(C)C 1696332048 MOUUHZUEPMSZAJ-FQEVSTJZSA-N 440.596 2.384 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696381133 XEOGGBSBHAUEHL-SGRLSNSRSA-N 428.537 2.010 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1696734448 QTCFTIFFGUULQC-MUYFXNHWSA-N 446.552 2.283 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1697035063 VHEWMHXABVDELG-MOPGFXCFSA-N 425.489 2.012 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697870263 ZSNOBLNRZNYPED-WXVFVKJXSA-N 436.516 2.253 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1698404156 UXEJTYDPRRZQIF-LZICOFPGSA-N 443.577 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1705479406 LJCXWEWJTZZQPY-IIBYNOLFSA-N 431.562 2.268 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705514181 MTOUNAKPQIFZSV-UHFFFAOYSA-N 436.520 2.134 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1705550912 BDFYAOUNTWMGSM-ROUUACIJSA-N 431.562 2.070 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCCSC)CC1 1705638457 LJZNGRCUXASXNY-UHFFFAOYSA-N 430.578 2.294 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(O)(CC)CC)CC1 1705640126 GDAZTJPJLNITKL-HXUWFJFHSA-N 425.533 2.097 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCOC[C@@H]1CCOC1 1705678702 MIEMHZSLKSJNOJ-IHFIDZABSA-N 432.565 2.437 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1705876335 VGRVSIMEWDYYRS-MRXNPFEDSA-N 427.546 2.072 30 10 IEEE C=CCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705893319 BZPGRAYBOXHODT-DEOSSOPVSA-N 446.640 2.500 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)cc(F)c2C1 1705907388 KWTHRVNULFTPLA-UHFFFAOYSA-N 441.486 2.283 30 10 IEEE CC[C@@H](C)c1nnc(N(C)CCc2nccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1708408244 KGOOLJMDAFDOEN-RMYFCYLKSA-N 429.550 2.453 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708603279 BTPVUSALWRNYIU-GOSISDBHSA-N 448.579 2.002 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1712543655 PZTGYDJFBWOWRK-OVGZCAFISA-N 446.552 2.155 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1722276111 HHGHKUNAYDBVGO-CHWSQXEVSA-N 425.942 2.057 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1722359813 PXQUJICYWPEHKF-IRXDYDNUSA-N 440.928 2.210 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722434607 SAVAAHNEYZDSKN-UHFFFAOYSA-N 430.556 2.318 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CCC2)CC1 1722441412 QRVHJFRJMWTTEL-UHFFFAOYSA-N 444.630 2.311 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1722448998 KJTQXLOJZLXMBN-DEOSSOPVSA-N 439.535 2.243 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722494021 LFSDPUMQKAUCQV-TVKQPGBESA-N 430.505 2.188 30 10 IEEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1722601203 FURWHABDHQMFRN-LJQANCHMSA-N 429.521 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)C1 1722716489 VVEAGNXTCXDARB-HNNXBMFYSA-N 447.341 2.499 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)COCCO2)C1 1722723203 WRHYVVKUFHWDGE-NFBKMPQASA-N 444.532 2.453 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1728349818 GOIUXMMSEKMQAR-UHFFFAOYSA-N 428.562 2.034 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1Cc1noc2c1CCCC2 1730763111 CMSLUNILSIVLDI-UHFFFAOYSA-N 438.536 2.421 30 10 IEEE COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730768011 CXIOBPRUQVUJBW-UHFFFAOYSA-N 436.472 2.144 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1730924240 ITNUJDBMDBHTSZ-INIZCTEOSA-N 425.411 2.247 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1740616067 RMWDJWYUYZAIJT-ORGXJRBJSA-N 434.606 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCSCC1 1740657409 RRTNRDIYMUFGIH-OAQYLSRUSA-N 437.569 2.302 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(CC)c2)CC1 1740701053 SHXVFJCLGQSLAM-WOJBJXKFSA-N 425.581 2.217 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1740796000 KKACGKVZXFOYGM-HSZRJFAPSA-N 443.523 2.230 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1740962674 LIDXQKGIZVACEZ-UHFFFAOYSA-N 444.609 2.190 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)C1 1740985531 RNOLXOJWWYVENQ-GAJHUEQPSA-N 441.532 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740992591 RIWMCQHSCVOBMZ-CPUCHLNUSA-N 449.404 2.403 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1741000929 YHLZRYFYCODBQK-MRXNPFEDSA-N 436.607 2.197 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1741813694 VHLLHOPZQNAOPE-CRAIPNDOSA-N 426.521 2.244 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1742172520 IKXBDDLCXZTPQZ-PMACEKPBSA-N 441.532 2.398 30 10 IEEE Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1742284569 XVXSAZULIJUTGT-LJQANCHMSA-N 426.521 2.313 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1746523791 ATXHNLOBTPDSFD-ICSRJNTNSA-N 437.548 2.219 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(Br)n1 1747194154 BDXHRPHFGHJVQF-MRXNPFEDSA-N 446.353 2.197 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1747603844 VKXSUZCGOJOZTD-FQEVSTJZSA-N 446.602 2.042 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1748639585 JQTSTWBWNKXIDW-CJNGLKHVSA-N 428.562 2.493 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1748698451 VPYULTXGLJTLNB-UHFFFAOYSA-N 431.500 2.464 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@](C)=O)cc1 1748785351 TVRLVCNLNHJJEL-PMERELPUSA-N 425.514 2.002 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 1749450358 DIZWKBSQQXZNJT-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 1749707874 GYYOPZQQETXHFD-AABGKKOBSA-N 442.539 2.453 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nc(C)c(C)s1 1750155376 ZRBXIBGYPHRMSW-JZXOWHBKSA-N 432.550 2.047 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1Cc1ccc(C#N)o1 1750914325 LFTXSKXSYZCIOF-HKBQPEDESA-N 440.529 2.303 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCOCCS(C)(=O)=O 1760099756 LCXZUSDRJRTSDH-SFHVURJKSA-N 430.574 2.267 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760184065 VAULDYHBFIYMMJ-IEBWSBKVSA-N 449.621 2.257 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760185797 DSUGCODLMYOYJA-UGKGYDQZSA-N 436.622 2.435 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760525217 XXVFASVUBDDHTL-BEFAXECRSA-N 431.487 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC(C)CC2)C1 1760549491 FSMDYZHKQAIGAM-VQTJNVASSA-N 430.597 2.302 30 10 IEEE CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)O1 1762435972 RERDZBWBUCRDKE-NQIIRXRSSA-N 429.546 2.399 30 10 IEEE C[C@H]1C[C@@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1762734655 HUZSAXRJHXNQLJ-IRXDYDNUSA-N 429.546 2.257 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1763044331 OMEMYRUCPMHUNQ-GJZGRUSLSA-N 446.506 2.377 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763918313 QMYFQMVHXCJAJA-UYAOXDASSA-N 438.580 2.453 30 10 IEEE Cn1cnnc1S(=O)(=O)C1CN(Cc2c(F)c(F)c(F)c(F)c2C(F)(F)F)C1 1849579141 HCLMVKKREGLTRJ-UHFFFAOYSA-N 432.321 2.048 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)CN1C(=O)c1ccc(F)cc1 1852613434 DNRPEZNZASYIBK-YVEFUNNKSA-N 443.866 2.244 30 10 IEEE N#Cc1cc2c(cc1CC(=O)Nc1ccc(Br)nc1N1CCOCC1)OCO2 1852731004 ZWODRWQENNHXKW-UHFFFAOYSA-N 445.273 2.462 30 10 IEEE N#Cc1ccc(CCC(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1852837589 CWIFAZQETMSESR-UHFFFAOYSA-N 427.526 2.041 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc2c(c1)OCCO2 1864448059 UUVRGSXNOJTBNW-ZDUSSCGKSA-N 436.390 2.207 30 10 IEEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CN2CCN(CCO)CC2)cc1=O 1870411125 UROIFNRMCLSARD-JOCHJYFZSA-N 435.609 2.486 30 10 IEEE C=CCn1nc(C)c(I)c1C(=O)NCCNC(=O)OC(C)(C)C 1871323287 JYUHCSJLFPTYJW-UHFFFAOYSA-N 434.278 2.237 30 10 IEEE Cc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1C 1874319324 LGXATZCIGAIGPK-LSFURLLWSA-N 427.486 2.345 30 10 IEEE C=C[C@H](O)C[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883403028 RACMYMDFKMIGRS-BXRATPCNSA-N 429.494 2.274 30 10 IEEE CCOc1ccc(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890218771 ISOHEINCOWXGOI-UHFFFAOYSA-N 427.589 2.276 30 10 IEEE CN(C(=O)c1csc(NC(=O)c2cccc(F)c2)n1)C1CN(c2nccnc2C#N)C1 1891503720 XOHJNEILCVTISD-UHFFFAOYSA-N 437.460 2.157 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 1902435743 OKKPVGLPRASZDT-RTBURBONSA-N 436.574 2.395 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 1904856247 XIWORRWQXYSSQJ-ZDUSSCGKSA-N 427.498 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1999432213 ZGPVYUYSRQWNMZ-QZTJIDSGSA-N 438.569 2.439 30 10 IEEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cc(Cl)sc3Cl)s[nH]2)OC1(C)C 2110107743 AWFZJMIAVMMLQX-UHFFFAOYSA-N 442.180 2.428 30 10 IEEE CC1(C)OB(c2cncnc2N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2116069114 MPBSUECPXBWPSS-LEWJYISDSA-N 436.365 2.256 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1COC1 2124524122 OISSVSQHXOPVMO-GOSISDBHSA-N 446.353 2.142 30 10 IEEE CCN(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243673902 BWZPCHLBBXXAHB-UHFFFAOYSA-N 425.360 2.316 30 10 IEEE CC1(C)OB([C@H]2C[C@H]2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2255594898 FWQAEOPXNQBCNU-MSOLQXFVSA-N 427.354 2.105 30 10 IEEE Cc1nc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255640971 NIVFUVGMKAVJGJ-YEJXKQKISA-N 449.382 2.490 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2255698717 SAVSXKFYNREKFO-JLCFBVMHSA-N 431.342 2.064 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2267005300 FTRCRPMBCUEBDY-OAHLLOKOSA-N 448.325 2.275 30 10 IEEE Cc1cc(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267132038 KPJVGLMQBSLYGB-WCQYABFASA-N 444.259 2.416 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267135533 DJTBRUHGIIBXED-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267143218 FGJQAPQEUHQQFH-ZFWWWQNUSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267197264 JYYATVYOYPNAJK-DZKIICNBSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2267274134 WCNRMTWBEXYKLW-MAUKXSAKSA-N 443.353 2.462 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1 2267492326 ADERFMIJQJOLIP-LJQANCHMSA-N 438.381 2.361 30 10 IEEE Cc1c(C(=O)NCc2ccn(Cc3ccccc3)n2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505231 FFOSVWQJSOUXDR-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267520094 KHFYUWZQBREDIN-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267874763 AXHHLFWVMYFURJ-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE C[C@@H](C#CC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)O)C1)NC(=O)OC(C)(C)C 2302381645 YFQBFOBBYOWVIZ-GAJHUEQPSA-N 430.501 2.423 30 10 IEEE CN(CCCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2315533064 LEZLILCBVJFQFE-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2317675168 LDNZLXQPKMEWGN-HNNXBMFYSA-N 434.342 2.255 30 10 IEEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2C2CC2)cc(Br)c1O 2331736585 JOEMESZXNJSWIY-UHFFFAOYSA-N 440.323 2.482 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1C 2337397978 JKSZXLRKSLOXNN-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE Cc1cc(CNC(=O)COCCNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651135 IVESIXTXWGRJMA-UHFFFAOYSA-N 448.369 2.452 30 10 IEEE CC(C)[C@@H](C#N)CS(=O)(=O)NCc1c(Br)c(Br)nn1C 2364439985 FDTGTSMUZIVYIA-QMMMGPOBSA-N 428.150 2.160 30 10 IEEE Cc1ccc(F)cc1NC(=O)CSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20920621 PKCHLMZCFRJIKB-QPSGOUHRSA-N 431.501 2.394 30 10 IEEE C=CCn1c(=O)c(=O)n(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 33272454 JISZRDFPZJTVRI-UHFFFAOYSA-N 436.487 2.227 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(CC)cc2)[C@@H](C#N)C(=O)N3)CC1 72444722 SXJWVDRZPSTRAX-MSOLQXFVSA-N 449.511 2.336 30 10 IEEE C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cc([N+](=O)[O-])ccc2F)[C@@H](C#N)C(=O)N3)C1 72445049 UWUZSJQZDRKPEY-YVLXSGLVSA-N 426.408 2.277 30 10 IEEE COCCN1C[C@H](C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)CC1=O 170509437 YKZFCHBHJXEXBW-MRXNPFEDSA-N 432.484 2.342 30 10 IEEE COCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccc(OC)cc1 254704978 VLJVEODFXIERRF-UHFFFAOYSA-N 426.498 2.459 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)CC1 439689600 ABJNPKXTWWSSCJ-UHFFFAOYSA-N 435.532 2.148 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)C2=O)n(C)n1 472489481 UIZXBTHSYVQCCM-OAQYLSRUSA-N 433.560 2.192 30 10 IEEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H](COC)Cc1ccccc1 482507063 IALMXZDGRQLVSQ-FXAWDEMLSA-N 429.542 2.331 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 508569973 PUYNCOZOZRQRRQ-UHFFFAOYSA-N 442.516 2.411 30 10 IEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OCCC(=O)NC)CC1 508851365 ZFNPZDDJDGSSCX-UHFFFAOYSA-N 435.532 2.438 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(C)c2=O)cc1C 516830164 KFYZLRZKKBJLTB-UHFFFAOYSA-N 448.500 2.187 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(CN3CCCC3)CC2)CC1 539365461 VYBYWBGSFNJSIJ-HSZRJFAPSA-N 427.568 2.342 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 543712122 GVEDFXCDAYFIQI-SLFFLAALSA-N 438.366 2.188 30 10 IEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549213141 GHBNYBRIUWWVBI-UHFFFAOYSA-N 449.540 2.299 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)NC2CC2)CC1 549645285 PTCBHMZMDLLCCY-UHFFFAOYSA-N 449.603 2.208 30 10 IEEE N#CC1(NC(=O)CCNS(=O)(=O)c2cccs2)CCN(Cc2ccccc2)CC1 554503705 GHZHLPLZLZPPRH-UHFFFAOYSA-N 432.571 2.091 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 575629418 AKUJBENLRBOFTD-OMGLFDDGSA-N 434.504 2.467 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccccc3OC)sc(=Cc3ccoc3)c2=O)cn1 727417981 MQOCURFJJVFCBX-UHFFFAOYSA-N 446.488 2.103 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(C[C@H]2CCCO2)C1=O 730136754 AQIQEDXJTURDPO-WOJBJXKFSA-N 444.601 2.354 30 10 IEEE Cc1nc(S(=O)(=O)NCCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cn1C 739749151 HDVRUTAFHAZCIR-UHFFFAOYSA-N 443.554 2.314 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)C(C)C 744430406 YPHJVWBIBSMGHD-RTBURBONSA-N 445.589 2.229 30 10 IEEE O=C(OCC#Cc1ccccc1Cl)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 747081802 HXDVEGCNBQHNBD-KRWDZBQOSA-N 428.293 2.228 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1F 752583298 IFLNVUYHETYYPS-DMAKZNTKSA-N 439.509 2.210 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCO[C@@H]1CCOC1 757373245 WQJXUZDIBVEAQN-MJGOQNOKSA-N 442.541 2.354 30 10 IEEE Cc1ccc(N(C(=O)COC(=O)c2cc(C#N)cn2C)[C@H]2C=CS(=O)(=O)C2)cc1C 770033369 OXNMPMKMINCRAQ-SFHVURJKSA-N 427.482 2.014 30 10 IEEE CC(C)N1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(F)c(F)c1 779350924 HPUKKAPXAVISQA-CNVXJRLLSA-N 447.486 2.314 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)n1 788810979 MTTSMCDZTAPRJA-UHFFFAOYSA-N 430.871 2.487 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)N(C)Cc2ccccc2Br)n1 789326618 XVMPXWMFVWBEDB-UHFFFAOYSA-N 433.350 2.386 30 10 IEEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 790702145 QMPQOJQZILJOJF-IEBWSBKVSA-N 425.558 2.360 30 10 IEEE Cc1nccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)n1 790761170 RCCNITWLJZDVBY-INIZCTEOSA-N 432.575 2.046 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 803522323 AOCMKRCPNPPQQX-FQEVSTJZSA-N 429.542 2.443 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(C)c3)c2=O)cc2c1OCCO2 838813781 DISGEOWIOCFJEK-UHFFFAOYSA-N 431.473 2.014 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1nnc2n1CCCC2 917701723 ZTEKFWUHMPPTTN-KRWDZBQOSA-N 449.540 2.286 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1160145079 BZCZSVVUQWNZFO-RBUKOAKNSA-N 444.553 2.396 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)c2cccc(Br)c2)CC1 1171116569 AXXLVOZTHFHBCR-OALUTQOASA-N 437.382 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C1 1214032977 FYSWPEGXFHVPQZ-UHFFFAOYSA-N 440.953 2.137 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 1273112552 ZDNBYSOJOVYEMY-UHFFFAOYSA-N 436.468 2.205 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286320704 GQLSLEQMOLJSOF-UHFFFAOYSA-N 433.520 2.054 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1286376592 MCLRTXNLDSDHFX-QAPCUYQASA-N 435.981 2.206 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1C(F)(F)F 1286407577 MYOKMJVAACRORW-QGZVFWFLSA-N 431.418 2.378 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286601723 TUJXLQJVWGIXLL-NRFANRHFSA-N 427.530 2.320 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1286726885 JYJCXRPQHAAJCF-ZDUSSCGKSA-N 442.488 2.461 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286789928 AEWDRKKDWFWUFR-QRTHJKPMSA-N 429.952 2.422 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCNC(=O)C1CCC1 1290864419 SSMVFAGXERCJDX-UHFFFAOYSA-N 425.512 2.230 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCn1cc(Br)cn1 1290865236 NGAGIIMZKHZTJF-KRWDZBQOSA-N 433.358 2.203 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCc1ccccc1 1300266764 ASPRDNHNXCOQOV-QGZVFWFLSA-N 431.500 2.090 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1300486769 AVQRFDZBLUWNMV-OAHLLOKOSA-N 442.570 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1300586408 BFZDDHWAUXGWBP-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1300586702 JFWYRCIBLXXQAJ-JOCHJYFZSA-N 433.604 2.000 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccn(CC)c1=O 1300620390 BJZVGIRDFFLZQA-UHFFFAOYSA-N 429.484 2.283 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCSC1 1300747219 YVEBPBKEZQVRRL-KRWDZBQOSA-N 426.575 2.229 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301246111 PHCZNKVSFLJVQE-KRWDZBQOSA-N 443.504 2.196 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301246820 XOJNKBRVFOSEET-OAQYLSRUSA-N 441.624 2.481 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301258782 AEQRYXYGBQLAFL-GOSISDBHSA-N 438.532 2.378 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC1(O)CCOCC1 1301420466 BPYZTIQQEHGGML-UHFFFAOYSA-N 430.505 2.244 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301483290 NGIGGKXBETWCFJ-VQTJNVASSA-N 441.532 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnc(C)s1 1301492494 JECHKOHUXDUNDS-UHFFFAOYSA-N 426.502 2.377 30 10 IEEE COCC[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301519317 XFUAYLDLAYGIFK-ZBBYCGENSA-N 430.553 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2)CC1 1301589430 RRQRHQHTFQAXDM-LJQANCHMSA-N 445.589 2.100 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)cc2C1=O 1302855668 UDPGZRLXDKQDFN-AWEZNQCLSA-N 444.431 2.426 30 10 IEEE N#CC[C@@H](NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C(F)(F)F 1303849968 YLGLZALHIWWODK-LLVKDONJSA-N 428.230 2.078 30 10 IEEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)c1 1303899694 KNBLIPBFZAURQY-ROUUACIJSA-N 449.511 2.426 30 10 IEEE CC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1305595458 RGVBVSKKTYCGMP-MRXNPFEDSA-N 436.520 2.422 30 10 IEEE Cc1c(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cnn1-c1ccccn1 1309775748 GOZCNGMVNDESOS-UHFFFAOYSA-N 426.477 2.097 30 10 IEEE CCCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1313456547 WCEQHCWOMDXOLV-UXHICEINSA-N 438.532 2.089 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC1(CS(C)(=O)=O)CC1 1314726815 LYFINSWELIQWPQ-GOSISDBHSA-N 429.546 2.462 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1CC1CCN(C(C)=O)CC1 1316100959 AWRNTGNZTXOHCW-UHFFFAOYSA-N 445.593 2.259 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1316311023 ZXVLBCKBSZZIEF-UHFFFAOYSA-N 435.488 2.006 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H]2CCOC2)C1 1340088735 JFSGVQXOJWPCES-IRXDYDNUSA-N 436.516 2.010 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cc(C)on2)c1 1358902055 DJEMBUDVLCTNIK-UHFFFAOYSA-N 428.456 2.136 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1358958181 JEVJAJWNGKQPKP-MRXNPFEDSA-N 448.936 2.023 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359043798 JDXJJMFYZPTFFX-KRWDZBQOSA-N 444.486 2.039 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCNC(=O)OC(C)(C)C 1359073494 RYEFTIJBYZTNGL-JOCHJYFZSA-N 430.553 2.307 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359091208 KMOCQSJVDYFDGF-XQPJFTJZSA-N 447.580 2.231 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)C1 1359313201 IHRGXJSPGUSRMI-OKYOBFRVSA-N 433.553 2.392 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(F)c2)C1 1359320647 SZCOOCMQFMLQAW-WMZOPIPTSA-N 429.496 2.401 30 10 IEEE N#CCc1ccccc1CC(=O)N1CCC[C@@H](n2nncc2I)C1 1455160015 ONUOGRBJKWNAMI-OAHLLOKOSA-N 435.269 2.355 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1=O 1459213440 XVCKVXYFSHGIML-OCCSQVGLSA-N 443.422 2.161 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)nn1 1470584397 PKTCXNBXKDNONT-MRXNPFEDSA-N 446.939 2.247 30 10 IEEE C#CCN(C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1470865988 ZCGFIJJKOWSSOW-FQEVSTJZSA-N 434.581 2.284 30 10 IEEE COC(=O)[C@H](CC1OCCO1)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1471382751 KURVTPUTVIGDOM-SFHVURJKSA-N 426.473 2.115 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](c2cccnc2)C(C)(C)CO)c(C#N)cn1CCOC 1476379091 ATLKOFMQVMLZIM-IBGZPJMESA-N 443.504 2.459 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccncc2OCC(F)(F)F)n1 1478524602 IBMIAZSYZMYDLZ-UHFFFAOYSA-N 425.411 2.211 30 10 IEEE C[C@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1493843043 ABCGKVVGPQFVIF-FXAWDEMLSA-N 442.589 2.173 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCOCC1 1507521474 NGVMEJLWVBQNNK-INIZCTEOSA-N 431.562 2.080 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1507522075 FKKHHOHQUXDJTP-ZDUSSCGKSA-N 442.321 2.319 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507591192 LJQZNAMLFJGXEO-QHCPKHFHSA-N 438.507 2.236 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1507660052 LKRHQFJGJXTGLY-MRXNPFEDSA-N 449.964 2.084 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(CC)c1 1507703644 DMYXNOGPSFWTJJ-UHFFFAOYSA-N 446.353 2.397 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1507821189 WDFIXZPFNNLXOE-APWZRJJASA-N 443.639 2.299 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1507955394 XXIFEWKOXQFNSF-IIBYNOLFSA-N 434.537 2.383 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1507998888 UVAMZOVAIRCUJR-SFHVURJKSA-N 440.548 2.203 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1508096426 ACCZFAQOCPULEO-AZUAARDMSA-N 439.560 2.290 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1508390734 XPPXDDFNCZSCBR-KRWDZBQOSA-N 437.548 2.036 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1509224393 AQDIKSMCLXUDEO-MSOLQXFVSA-N 430.578 2.340 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CCOCC2)cs1 1511544643 BDADJZHJJUHYLO-LJQANCHMSA-N 446.577 2.196 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@@H](C)O[C@H](C)C1 1519404555 NALVFAQKILVTDP-UEDWAMCQSA-N 434.585 2.240 30 10 IEEE Cc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)ccc1C#N 1531381144 SIINLGYJGHWFKV-HIFRSBDPSA-N 440.422 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 1537529994 WSOBLILXARUNAY-GOSISDBHSA-N 447.557 2.130 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC)C1 1539002199 QZKQKQLIFSOLMF-DLBZAZTESA-N 429.594 2.038 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539031078 WKDSTBJVFBZDDA-MOPGFXCFSA-N 445.589 2.213 30 10 IEEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1539052388 DLVACCAMAVDUCX-APWZRJJASA-N 429.496 2.312 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539510809 OAFIXXCVVRAKHH-KDURUIRLSA-N 444.649 2.148 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1539599441 FLJGONLUKVAVHC-STQMWFEESA-N 433.372 2.093 30 10 IEEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1540602118 CWWSTUDNNXYXTC-IBGZPJMESA-N 428.510 2.261 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(C)(C)C)CC1 1540908360 UFXSKJRUUXURMK-QGZVFWFLSA-N 425.599 2.041 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1541115612 BTUZQLKEYQTYRG-IRXDYDNUSA-N 441.561 2.216 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC[C@@H]2C)CCOC1 1541733606 SNVMNPCEWLMJBZ-MIZPHKNDSA-N 446.596 2.312 30 10 IEEE N#Cc1cc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1Br 1544821861 JJUCIERTAVNWHH-UHFFFAOYSA-N 429.186 2.464 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1555353487 HZFZINFJTCEQAR-ICSRJNTNSA-N 427.505 2.007 30 10 IEEE C#CCN(Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1)[C@H]1CCS(=O)(=O)C1 1560681260 GXQLBSAAGHHNJX-SFHVURJKSA-N 433.555 2.459 30 10 IEEE N#Cc1cc(C(=O)NC[C@H](O)COc2ccc(I)cc2)cs1 1566338056 GSSFUJRRNOZIKJ-LBPRGKRZSA-N 428.251 2.394 30 10 IEEE Cc1c(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc(Br)c1C#N 1584360429 IGRZTPPJHBUWOD-SRABZTEZSA-N 432.274 2.120 30 10 IEEE COc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 1586904325 QLUPRNWMGYVIHU-HZUJVAHNSA-N 436.578 2.126 30 10 IEEE CC1(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)CCN(c2ccc(Cl)cc2C#N)CC1 1587162162 PYFZBLZJLJSVIH-UYAOXDASSA-N 428.920 2.424 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@@](=O)C(C)(C)C 1587904481 JEBWDHMPXJPDCG-GDLZYMKVSA-N 435.981 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](F)COC 1588581618 YIHGELDQSBIEFR-CQSZACIVSA-N 428.306 2.117 30 10 IEEE C#CCC1(O)CCN(C(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)CC1 1588764601 ATKQMGVBQWONCC-OAHLLOKOSA-N 449.345 2.294 30 10 IEEE C#CCSCCn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1589126274 ZDBYKYCSNQSWAG-JOCHJYFZSA-N 444.605 2.414 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1593818026 NBHPVIWLRPCGMO-QGZVFWFLSA-N 440.976 2.483 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 1594543460 ARWLCPNLRKBNOD-BHIYHBOVSA-N 445.589 2.458 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1611308139 MBYKJGIKKNBMJR-IEBWSBKVSA-N 425.537 2.190 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1620024406 IDTDTRBMFGIUHF-LPHOPBHVSA-N 429.521 2.007 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccc(C(C)C)n3)CC2)c1 1624649385 QQJKWARUHZHVDS-UHFFFAOYSA-N 426.542 2.359 30 10 IEEE C#CCN(CC(=O)N(CC(=O)OC)Cc1cc(OC)cc(OC)c1)C(=O)OC(C)(C)C 1625977466 YQHPRAQLCLWFHE-UHFFFAOYSA-N 434.489 2.076 30 10 IEEE CCN1CCN(C[C@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1627134787 JWSIGSIUJOFDMA-ADNNVIORSA-N 447.624 2.163 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(Br)c3N)CC2)cc1 1629485222 KPBFTAOWEAEIPS-UHFFFAOYSA-N 449.330 2.050 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F)C(=O)OC 1629617117 GYZXOHRQEURDOK-LIRRHRJNSA-N 444.484 2.260 30 10 IEEE Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1630544032 ONUANSPWBOXUJN-JFIYKMOQSA-N 433.530 2.475 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 1635079120 OCADFZYMDOTVSS-KKUMJFAQSA-N 437.990 2.247 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)c1c[nH]c2ccc(I)cc2c1=O 1637186387 SJQGFYNWWBDELV-ZDUSSCGKSA-N 436.249 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)C1 1637885063 CRNZFIRHDZCAII-AUSIDOKSSA-N 426.517 2.447 30 10 IEEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1641926662 BSMACIQPPZIAOM-UHFFFAOYSA-N 437.525 2.254 30 10 IEEE Cc1csc(NCCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1642287845 SZTVFKXMMJYIKE-HNNXBMFYSA-N 435.575 2.133 30 10 IEEE C=CC[C@H]1CCN1C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1646500712 PTNIOJAUBJTGIM-ZDUSSCGKSA-N 447.326 2.400 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)CC2=O)cc1Cl 1652398891 XOOWWUSAFHWURV-LSDHHAIUSA-N 435.933 2.181 30 10 IEEE CSCC[C@@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 1654706441 HUGZGLKSCHMHBC-VQTJNVASSA-N 437.521 2.468 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1656911723 HQNGLPVYFCEIEA-CYBMUJFWSA-N 433.368 2.394 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H](c1ccccc1)c1nc[nH]n1 1658924035 AIPGBYHECDKSCJ-GGAORHGYSA-N 447.518 2.374 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 1660830359 TYBBTYRLWHXWNL-UHFFFAOYSA-N 439.950 2.081 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)cc1 1671510957 QSYNEVYRJKYKDI-HYFFOGBASA-N 448.541 2.135 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](C3CCOCC3)C3(CO)CCC3)C2=O)cc1 1671577562 WIMBQXKBBKVCTB-RTWAWAEBSA-N 440.544 2.311 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)NC(=O)OC(C)(C)C 1682021338 DURAVKIYAVMEAP-HDMKZQKVSA-N 429.521 2.260 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1689826273 LBDOJJMHFNAWBF-CABCVRRESA-N 435.454 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1occc1C 1689831484 LSTCORKRFHBEJG-FDDCHVKYSA-N 443.548 2.498 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OC 1689850985 KDDPMSMFFLBJEI-KRWDZBQOSA-N 432.532 2.362 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCn2cc(C)cn2)c1 1689873196 AXSBSSGRDDKOPQ-HXUWFJFHSA-N 433.516 2.391 30 10 IEEE C#CCCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689905804 BCSBDSDCKRYTEP-DNQXCXABSA-N 445.608 2.423 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)c1 1690102673 RXTJPRUTFKDDQD-QFIPXVFZSA-N 439.560 2.491 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCn2cc(Cl)cn2)CC1 1690133886 XYUZALQTDNEKPS-UHFFFAOYSA-N 439.951 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690243921 RHSMNDAMTUQRTF-NSHGMRRFSA-N 439.564 2.409 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCN(C)C1 1690449763 QGSUOZVMZWIQRY-JOCHJYFZSA-N 430.553 2.255 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1690674898 JLSDAHVBJAMOLX-UHFFFAOYSA-N 431.544 2.087 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690676362 XPOBKQFARWMIHV-OAHLLOKOSA-N 447.923 2.202 30 10 IEEE CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1691001821 PHKQJHNPCGBXBZ-JKSUJKDBSA-N 448.531 2.110 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1696828212 DETQBLVKYAHEBJ-KRWDZBQOSA-N 439.520 2.056 30 10 IEEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1697273163 HRUYAYUFHJEUFL-VGSWGCGISA-N 445.495 2.042 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1698493767 AJDMLPBBLXGATM-FQEVSTJZSA-N 449.964 2.278 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1F 1705541856 TVBIRXKSXQAZLG-CQSZACIVSA-N 425.555 2.030 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC[C@H](C(F)F)N1CCOCC1 1705556930 IJEOTWIIXLSZBK-QGZVFWFLSA-N 437.466 2.422 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1705570891 SNLPAMOESLIXBA-IBGZPJMESA-N 448.564 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705571632 DNVACKCKSFAPSV-OALUTQOASA-N 442.608 2.157 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC1 1705694349 AMODVLNPJGDGCR-PKOBYXMFSA-N 432.546 2.166 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705894066 LQTMSVBZZHPNGF-CABCVRRESA-N 425.555 2.159 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC(=O)N2)C1 1705917248 SHSYOUNPAJZWDX-SJORKVTESA-N 427.505 2.022 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C2CCCCC2)cs1 1707761033 DBKIUOOQJLDPJA-GOSISDBHSA-N 443.577 2.154 30 10 IEEE COC[C@H](F)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1712176265 WLYKMGIILGCYPX-ARFHVFGLSA-N 440.520 2.167 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1712522322 STDDKUFBIYWIET-QGZVFWFLSA-N 440.548 2.492 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1712594548 PKLCOGVSPZBIQU-NRFANRHFSA-N 441.532 2.254 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN2CCOC[C@@H]2C)c1 1722306993 IEYFFUBOGOIIBA-SFHVURJKSA-N 436.560 2.008 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722524384 IDHINLYSJFYUDS-QGZVFWFLSA-N 430.459 2.196 30 10 IEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1722604806 LENKYCYTTCMEFV-IRXDYDNUSA-N 448.568 2.254 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1722693700 XUKMIRNRRNBVFK-YJBOKZPZSA-N 431.562 2.276 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1722879371 KRDQUWKOQAZONH-UHFFFAOYSA-N 441.536 2.298 30 10 IEEE Cc1nc(CCn2c(N(C)C[C@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n[nH]1 1725489463 BCDPMVXUCQBCDW-BMFZPTHFSA-N 443.556 2.314 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1728297527 MHEMASKPNZPFGS-KRWDZBQOSA-N 436.497 2.343 30 10 IEEE CO[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729834553 BSZBBBITHDRJKK-GFCCVEGCSA-N 425.518 2.204 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740545112 NZAPNGHKULZXDT-JXFKEZNVSA-N 433.516 2.302 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC)C1 1740576490 YLAZFQQBWYPPNS-HXUWFJFHSA-N 439.564 2.107 30 10 IEEE C#CCCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596586 IMSUTBDZTPIOOF-MFEFFIJZSA-N 442.564 2.179 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCCC1(C)C 1740602395 LFDYAVRUPDDRPS-JOCHJYFZSA-N 445.589 2.206 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740622133 VCEKEPPKRUXSTC-GOSISDBHSA-N 430.578 2.132 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1740628813 URMJWKHSJGCTEP-SFFCAUCYSA-N 439.541 2.322 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC1 1740696725 DDWALCHFARRIOF-HXUWFJFHSA-N 429.952 2.083 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740767891 ARNLDLXEFFSTNA-QHCPKHFHSA-N 434.629 2.359 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740983105 BCGNYMKOCYSHQW-RTBURBONSA-N 437.610 2.074 30 10 IEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740998842 SQKPURJXFONPDY-QGZVFWFLSA-N 426.546 2.337 30 10 IEEE C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1741793020 SFWGTGJPTXEPEH-DYEBBVLBSA-N 426.477 2.446 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1744199286 ILUWBQRVULUWPV-JOCHJYFZSA-N 438.532 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748658363 QPPIAJBTSOZSQG-WIYYLYMNSA-N 433.560 2.217 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748814229 BJRGCFAYCQFRJF-FQEVSTJZSA-N 441.557 2.179 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@](C)(O)CCOC)CC1 1748985040 ZZPXAMXZJVRHJE-XMMPIXPASA-N 434.544 2.036 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1749008980 DXORMRSDOSQNAO-YADARESESA-N 443.592 2.079 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1749009842 LXNBZYLEJGAQLZ-PWRODBHTSA-N 443.592 2.199 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1749590643 CKFIOIQLDKFGHG-FQEVSTJZSA-N 448.527 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749739517 DZKJUMDFKZUAMC-HZPDHXFCSA-N 438.525 2.211 30 10 IEEE COCCN1C[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@H](C)C#N)CC1=O 1749865298 WAAGAYDLTILNNP-HZPDHXFCSA-N 446.502 2.238 30 10 IEEE Cc1ccccc1-c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751663693 FCALZMZTWBGJQM-NFNQWWKFSA-N 436.516 2.394 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(C)C 1760097378 DIQBAWLXJYCCRR-SJORKVTESA-N 433.578 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1760117655 RVQPKCDXCFLLSM-BXWFABGCSA-N 430.530 2.216 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760192905 PLESMOHZBBKJOC-VAMGGRTRSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCO[C@H](C)C1 1760205418 AXRZSCXGDUYIFS-NFBKMPQASA-N 449.555 2.364 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760217063 NSAXVVGHCWIHDO-UHFFFAOYSA-N 430.512 2.251 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760264889 YLNIGASCYDKEAA-RTWAWAEBSA-N 434.544 2.035 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760519089 REQFLSFNGDQUMG-UHFFFAOYSA-N 433.472 2.434 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1761364195 MLFXVMJKTKHMSF-RDJZCZTQSA-N 434.504 2.008 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)cc1C 1762301672 FOADYWCVVYQXOL-HXUWFJFHSA-N 439.564 2.348 30 10 IEEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CCOC1(C)C 1763266597 GWLSPOWPQLUBLT-GOSISDBHSA-N 442.564 2.311 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCS(=O)(=O)CC1 1763656654 SOULWFAOHULLLJ-CQSZACIVSA-N 444.561 2.151 30 10 IEEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)OC 1764018621 GHIUYCGSTCEOQQ-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1764993755 ZYCHJAFYWRUZRI-NHKNDPDJSA-N 443.596 2.270 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CC)CC1 1766608960 NIINUSKJZDTCKQ-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)CC1=O 1767521101 DXEJDQHWSFGSIJ-UHFFFAOYSA-N 425.237 2.083 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C[C@@H](C)O1 1769521784 OFVBBKMYLDDPGZ-SGLNWRHMSA-N 441.532 2.394 30 10 IEEE COCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1770982346 ITUFHFIDEIUPQD-QHCPKHFHSA-N 439.564 2.316 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1772523197 ZVRKUEGDNBLHMA-HOYKHHGWSA-N 437.544 2.441 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C)C1=O 1849512865 KAQFNBMNCPRFOA-UXHICEINSA-N 447.601 2.383 30 10 IEEE CC(C)N1CCN(C(=O)c2ccccc2C(=O)N=c2[nH]cc(C#N)c3cccnc23)CC1 1850159304 VGTUHFXRAXKZJX-UHFFFAOYSA-N 428.496 2.342 30 10 IEEE C[C@@H]1CC(=NC(=O)COCc2nc(-c3cccnc3)no2)NN1c1ccc(Cl)cn1 1851841696 PMBSLIAOVWXULM-GFCCVEGCSA-N 427.852 2.425 30 10 IEEE Cc1cccc(C)c1N(C(=O)c1ccc(N2CCOCC2)nn1)C(=S)N=CN(C)C 1851891512 OSUSSOOCDFNHPT-UHFFFAOYSA-N 426.546 2.452 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1 1852372669 DFWOJGMMAHOYTQ-OAHLLOKOSA-N 425.514 2.176 30 10 IEEE CC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCC3)C2=O)CC1 1855621594 HSWCUKVTYIDBEV-UHFFFAOYSA-N 428.558 2.362 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@H]2C)cc1 1856276154 JHGFOGUFNKXGAZ-OAHLLOKOSA-N 427.482 2.019 30 10 IEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)OCC(=O)N3C)n1 1858764857 WJOQIWKCTNEWCN-UHFFFAOYSA-N 438.440 2.137 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 1861249968 CRRCVTJLUWIAPD-QFIPXVFZSA-N 449.482 2.385 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C(=O)O 1862414604 DKLSVRKDDJMRBU-GOSISDBHSA-N 444.390 2.377 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(O)c1 1862747520 RKLDISRZRPAECQ-SFHVURJKSA-N 425.397 2.015 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(F)cc2)CC1 1866868638 WBSGISYIURVVEI-ZWKOTPCHSA-N 430.505 2.280 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866930111 YDHMRPODKLQELW-TZIWHRDSSA-N 439.537 2.439 30 10 IEEE CN(C)C1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868774245 BVFNMTQAJFRDJW-LJQANCHMSA-N 445.633 2.472 30 10 IEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)c2cccc3c2cnn3C(C)=O)c1 1870158332 SANHWAZUTYONHQ-UHFFFAOYSA-N 431.412 2.418 30 10 IEEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870560480 YFVSNYXQXHOXCL-UHFFFAOYSA-N 435.503 2.287 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)cc1 1874292759 PKLHZRJCNWOREV-LSHDLFTRSA-N 443.485 2.040 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(OC)c(O)c1 1874505954 HILSJROXZURFOT-FSJBWODESA-N 441.513 2.429 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cs1 1889471560 NWSDFSSROQBBTI-UHFFFAOYSA-N 429.546 2.390 30 10 IEEE CN(C)CC#CC1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1889664928 PFZDPKDHBBYKKM-YADHBBJMSA-N 426.586 2.033 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc[nH]c(=NCC)n4)CC3)n[nH]2)c1C 1890003003 GDLBOOSMMIRVHN-UHFFFAOYSA-N 449.563 2.072 30 10 IEEE C=CCN(CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)C(=O)OC(C)(C)C 1985011305 MFHBYWLGSCKHSG-HZPDHXFCSA-N 427.542 2.144 30 10 IEEE C=CCn1ncc(N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1=O 2106022066 NEILQDUKZQTXDO-YPMHNXCESA-N 429.315 2.143 30 10 IEEE N#CC1CCN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)CC1 2174785359 YEYVERMUSCMQPB-VAMGGRTRSA-N 432.546 2.246 30 10 IEEE N#Cc1ccc(F)c(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2195347584 QQHFHBIQROJXNN-GOSISDBHSA-N 434.445 2.382 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)[C@H]2CO 2216866757 DZOSSQIPTQIPRH-HMDCTGQHSA-N 439.553 2.046 30 10 IEEE C[C@H](CN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243418198 XFWCBGQQEVTKDP-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406026 UYTNKVGGGLPHJV-RYUDHWBXSA-N 440.375 2.137 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255824892 QDRVPRKOLUKBPD-CQSZACIVSA-N 436.362 2.143 30 10 IEEE Cn1ncc(C(=O)NCCCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829434 PBRKORCCMGNTTL-UHFFFAOYSA-N 436.362 2.144 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)n1 2255831696 ZWWTYIKMBFHZPQ-KBPBESRZSA-N 436.362 2.234 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255851425 QESMPGZVAMAAAF-GFCCVEGCSA-N 430.232 2.252 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256622206 DNVMUDCDBAVSFQ-WWGRRREGSA-N 449.382 2.314 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256679440 LLTNFTWTZOKRIS-CQSZACIVSA-N 435.330 2.249 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)[nH]n2)OC1(C)C 2267136581 LEYIVCAVVQYZJB-XMMPIXPASA-N 436.365 2.447 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267511146 XQIBHROOFZOBCE-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267592650 GAQSCLQIPAFQPJ-FXAWDEMLSA-N 436.365 2.416 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268653892 SMOAADWMDBAEIU-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCC4(CC3)OCCO4)c2)OC1(C)C 2282333464 PAVOFQDHOUWDFC-OAHLLOKOSA-N 443.396 2.401 30 10 IEEE CCN1CCN(c2c(C=C3SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 2314426121 LUXSEDGNUYQIQL-UHFFFAOYSA-N 431.587 2.021 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315645047 UUVJKVZLNJFMOV-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE CN(C)CC1(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CN(C(=O)OC(C)(C)C)C1 2320688311 LKZROOPPEUQULY-UHFFFAOYSA-N 433.358 2.311 30 10 IEEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327840287 OHXCSSYESCKDRC-OAHLLOKOSA-N 444.561 2.251 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263156 OGULWNCOAYYKKB-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2337179921 VXYQGPFAMZUEQE-MOPGFXCFSA-N 436.365 2.066 30 10 IEEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1Cc1ccccc1 2337189390 AMAGJKCFBQTCRS-IBGZPJMESA-N 438.381 2.456 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2337195342 XJVZPWUQVILYJX-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE Cc1cc(CNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652156 YWTMQUQPGJHKRC-QAPCUYQASA-N 448.369 2.185 30 10 IEEE CCn1c(N2CCCC2)c(/C=C2/SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39769234 ZOYLRUZSPCCHCV-LFIBNONCSA-N 432.571 2.496 30 10 IEEE COCCNC(=O)c1c(N)n(N=Cc2ccc(N(C)C)cc2)c2nc3ccccc3nc12 254594808 XDYNVDKNWDUGTQ-UHFFFAOYSA-N 431.500 2.491 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(COC)cc2)c1=O 461366274 NHAGYSSRFXQNAM-UHFFFAOYSA-N 434.517 2.471 30 10 IEEE CN1[C@H]2CC[C@H]1CC(N1CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC1)C2 497504947 GISQYHJCJBHMND-SFTDATJTSA-N 448.533 2.416 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccco3)s2)CC1 504402182 WRVDAMKOSIZXNT-UHFFFAOYSA-N 428.495 2.421 30 10 IEEE COc1ccc(NC(=O)c2nnc(CN3CCN(c4ncccc4C#N)CC3)s2)cc1 506923886 TXILYBVPPLBVLZ-UHFFFAOYSA-N 435.513 2.388 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 508938922 OGZLLGMQLOTHLP-SFHVURJKSA-N 426.565 2.319 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)nc1 512312235 GFRCYOONUJFQGC-CVRFZRMCSA-N 443.573 2.485 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC[C@H]2COc3ccccc3O2)n1 513279335 NDVKVMBOFKESKQ-AWEZNQCLSA-N 435.415 2.168 30 10 IEEE COc1ccc(CC[C@@]2(C)NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 513789447 IJNSOEVDQWXHIK-JOCHJYFZSA-N 441.509 2.284 30 10 IEEE CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522802413 PYLPRTKGCKGGJG-AZUAARDMSA-N 448.589 2.415 30 10 IEEE CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542962760 WDGIOSVGKRKQKF-IUODEOHRSA-N 436.925 2.237 30 10 IEEE CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544075476 YBOJXZYPZSPWES-UHFFFAOYSA-N 447.545 2.319 30 10 IEEE Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cs1 544832279 AWLHQBZXKZTKGG-UHFFFAOYSA-N 436.497 2.455 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 560842007 GLSXAKHRAGBJGJ-KRWDZBQOSA-N 428.514 2.369 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 580380022 VEHJUQMPDWZNDN-GUYCJALGSA-N 441.504 2.273 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccccc1 583787663 HDBKFHXNTKXIIP-UHFFFAOYSA-N 446.557 2.017 30 10 IEEE N#Cc1ccnc(OC2CN(C(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)C2)c1 585247988 JFLGXRWZGIPOBY-AWEZNQCLSA-N 441.285 2.358 30 10 IEEE N#Cc1cccc(C(=O)OCCN2CCN(C(=O)c3cncc(Br)c3)CC2)c1 586394915 YHEDLGAYZUGTLR-UHFFFAOYSA-N 443.301 2.331 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 679754931 GJZHGSJHNITZME-GOSISDBHSA-N 426.513 2.490 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCOC[C@@H]1CCOC1 731560222 RRWRUOKNWMSTHN-DNVCBOLYSA-N 442.541 2.212 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)ccc1OC 733276870 HQJGQYXVOTXTRD-HOCLYGCPSA-N 449.504 2.498 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NCC1(c2ccc(F)cc2)CCCC1 741339634 HJSKDUIMHWOZSG-QURGRASLSA-N 443.475 2.213 30 10 IEEE CC(C)NC(=O)c1ccccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742534867 MTEVPUCVGASJNG-CQSZACIVSA-N 428.514 2.281 30 10 IEEE CCCN1CCC(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775179 OMNGPSXABSXDBA-IBGZPJMESA-N 434.606 2.378 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 750173395 BSRJHVYKCDCVBP-XWIAVFTESA-N 449.454 2.293 30 10 IEEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1)[C@@H]1CCS(=O)(=O)C1 751274549 XCEYEJFYONVGQH-QGZVFWFLSA-N 449.536 2.264 30 10 IEEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)[C@H]1CCS(=O)(=O)C1 774216193 IMFZQXTXGDHWLX-UZLBHIALSA-N 440.525 2.227 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCS(=O)(=O)C1 774234222 LZFMQFRCIRYCDN-WBVHZDCISA-N 441.500 2.089 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 780859723 ANTOIHOHFGCWFH-QHCPKHFHSA-N 437.540 2.136 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)n1 790106089 QDJMAAFCZBSTKC-UHFFFAOYSA-N 444.495 2.459 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccc3ncccc3c2)sc(=Cc2cnn3ccccc23)c1=O 794595885 UNVATDNRZQPMAH-UHFFFAOYSA-N 437.484 2.029 30 10 IEEE Cc1cc(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)n1C[C@H]1COc2ccccc2O1 798740768 BNRMNGXURGOJLN-SJORKVTESA-N 449.467 2.395 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@H](O)c1ccccc1 813848713 ASJKBRWJYVBUHG-BPAFIMBUSA-N 429.542 2.378 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918333882 BZFUHDGDHIVVGD-UHFFFAOYSA-N 438.509 2.415 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1141970447 MQGKMFQPWCDYIB-YJBOKZPZSA-N 437.562 2.421 30 10 IEEE Cc1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1S(=O)(=O)NCC#N 1149431554 CWBTWBFJLHZZCS-UHFFFAOYSA-N 437.525 2.385 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1149819831 MHXYGADTFCXPMI-MOPGFXCFSA-N 436.597 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)NC3CCN(CC#N)CC3)ccc2NC1=O 1160753248 VYZAXGRVMNPCOZ-LJQANCHMSA-N 441.532 2.182 30 10 IEEE C#CC[C@H](CCOC)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1169291482 IURUSGYCUIHJKM-MRXNPFEDSA-N 427.542 2.293 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2C1 1211655878 BXLOGAKFOLYBBX-UHFFFAOYSA-N 430.555 2.294 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)[C@@H]1CCCO1 1234626367 KIHBIPRFZONTCN-UXHICEINSA-N 433.574 2.117 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)NCCOC3CCOCC3)c(C#N)c2N)cc1 1255769608 KPSYHCKQCIPKKM-UHFFFAOYSA-N 426.521 2.062 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nnc(C)s1 1286369341 MKPHOVRWMVCZRQ-UHFFFAOYSA-N 434.529 2.054 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(O)c1 1286495730 DAFDLRKOVFMBIY-HUUCEWRRSA-N 437.591 2.158 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286600984 GPPZWMRWTOAVPI-FPOVZHCZSA-N 443.596 2.251 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286612475 ZMOPPYUIXPDUBH-UHFFFAOYSA-N 427.509 2.453 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1286745444 WDKULEFFNJCCMK-DHIUTWEWSA-N 446.523 2.413 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H]1C 1286781511 RYOOTXPMYYYGEW-LSDHHAIUSA-N 430.940 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1286784301 CUQSYHOHEGIBKK-UHFFFAOYSA-N 426.565 2.103 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286788811 GVDBXKAFXDZBDP-HSZRJFAPSA-N 443.523 2.085 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1287727971 FUZHTOZHSPLOJO-ULQDDVLXSA-N 425.526 2.438 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCOC1 1288287014 USKAQAQTVDKBGX-OFNKIYASSA-N 441.532 2.242 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1297468280 USRRUYGDJQJBAC-ICSRJNTNSA-N 438.532 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1300310680 YTJFHGUQJBEKKR-GVDBMIGSSA-N 432.546 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1300321924 PWZYIYLYXPPFGU-OAHLLOKOSA-N 437.953 2.004 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300487474 JVRCJGIXQXIKID-ROUUACIJSA-N 447.580 2.441 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300487663 KWICHBXCLOQVQE-LJQANCHMSA-N 444.605 2.022 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1300690645 PELMVTCYMRSUMM-UHFFFAOYSA-N 445.552 2.063 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc32)CC1 1301105304 GUFQDOLBRHHQSY-WBVHZDCISA-N 431.562 2.467 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC 1301339608 QYPFBKOJRYBFGJ-UHFFFAOYSA-N 447.499 2.206 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1301567727 KZQCKJPXBLYTCQ-ROUUACIJSA-N 435.594 2.131 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C)CC1 1301587719 XTOZCRBNUBQWQN-UHFFFAOYSA-N 428.562 2.354 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1302410187 RIUIVDXSIZVLAM-FQEVSTJZSA-N 449.559 2.084 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)[C@@H]1CCC[C@@H]1C#N 1307991742 AHIDSYPTMJHUAM-YLJYHZDGSA-N 447.605 2.490 30 10 IEEE CCCNC(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313485163 UOGYZAODSBHRBU-UHFFFAOYSA-N 437.548 2.462 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(F)CCC2)c1 1316336896 OFKSVSHMIAZLEC-INIZCTEOSA-N 433.509 2.360 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCOCC(F)(F)C(F)F)c1 1316529439 ONXOSCALTUNCRM-AWEZNQCLSA-N 440.401 2.045 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)NCC(F)F 1358969218 JJPRTORATYLDIB-KRWDZBQOSA-N 429.471 2.489 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC(F)(F)CO1 1359019762 GDTQHLMRFSWMIN-GOSISDBHSA-N 436.459 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359021850 DKQRXJPEYYWSJF-IBGZPJMESA-N 449.559 2.038 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359203668 SWXGZRGYAKWXMP-ZWKOTPCHSA-N 425.599 2.246 30 10 IEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C)C1CC1 1359247222 WLFZYBZPTWJNRJ-UHFFFAOYSA-N 445.593 2.226 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1359276039 PILNZLHXBIDCEV-HXUWFJFHSA-N 445.589 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)OC)CC1 1359296128 XVTGPDVDMPQXOU-UHFFFAOYSA-N 435.887 2.429 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1359345450 GSVCEAMFHOTZLJ-KRWDZBQOSA-N 428.562 2.372 30 10 IEEE COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@](C)(C#N)CN(C)C)c2)cc1 1436172986 XSVOVCVTRQWGMV-NRFANRHFSA-N 430.530 2.094 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 1441769925 ZFSIFTIUDTVTSQ-PXDATVDWSA-N 449.507 2.227 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1)C(=O)OC 1468875723 OKVLQIZKYMQJLA-LJQANCHMSA-N 430.482 2.181 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2c(ccc(OC)c2OC)[C@H]1CC)c1cc[nH]n1 1469804320 KIPXZIJERWGKOJ-QGZVFWFLSA-N 444.488 2.247 30 10 IEEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)NCCn1cnc(C#N)n1)CC2 1470101751 DCOYOODBUJURBJ-KRWDZBQOSA-N 431.541 2.217 30 10 IEEE CN(Cc1ccccc1)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCCC1 1471253897 BWNJRUBVFJROJN-RBBKRZOGSA-N 444.601 2.401 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 1475417616 RITKROGPLQFYPA-SJLPKXTDSA-N 435.546 2.232 30 10 IEEE C#CCN1CCC(NC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC1 1477937882 SZHBYCPZTFLOTJ-UHFFFAOYSA-N 437.510 2.354 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1479436676 CZSNXCIWZRCGKU-WBVHZDCISA-N 443.552 2.214 30 10 IEEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1495883196 VPJGKWACDAQRCB-QUCCMNQESA-N 438.580 2.106 30 10 IEEE COCCCN(C)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504815178 PBFQYBZEYZKQNG-OAQYLSRUSA-N 437.592 2.398 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCOCC2)CC1 1505323076 CHEGHMNNXHIRIB-UHFFFAOYSA-N 426.496 2.496 30 10 IEEE C#CCN(c1nnc(C)n1Cc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 1507626794 OVFOMSUZGMNHHM-FQEVSTJZSA-N 438.557 2.064 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1507634719 PLFQZINITIGLAV-SFHVURJKSA-N 445.589 2.335 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507647286 CODMBDKKBRJPBY-UHFFFAOYSA-N 426.459 2.489 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507665128 JUFCPKHFWJXDLU-UHFFFAOYSA-N 428.500 2.340 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1507732753 XJJAARACFUQKSZ-IBGZPJMESA-N 446.596 2.184 30 10 IEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1507781596 DERPSKRZBLDMMF-ZDUSSCGKSA-N 445.321 2.326 30 10 IEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1507869781 XRPIQOQLAJYRFW-GJZGRUSLSA-N 438.916 2.068 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)CC1 1507889253 DMBATHXJIGUNHR-IYBDPMFKSA-N 428.541 2.382 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1507953446 FZTSGNNMKFAJIG-LJQANCHMSA-N 443.573 2.109 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1507954800 PQPKSRGYFBPHDP-SJORKVTESA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cccc(F)c2[C@H]1C 1508072814 SFMBDJVCNBTKMQ-OAHLLOKOSA-N 449.490 2.490 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1508085925 IOEBLYMBYMPBRX-SNRMKQJTSA-N 438.532 2.128 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1508161481 MEHONRWHXAQDLJ-GOSISDBHSA-N 442.589 2.127 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CC(=O)N1C 1512417854 BMLOTQNDKJSSKK-XLIONFOSSA-N 438.532 2.069 30 10 IEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCOCC1 1513622936 HYHVKOGASZRCFC-SFHVURJKSA-N 438.532 2.247 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)SC 1519324215 WNNWRLMSEHPMKT-DLBZAZTESA-N 445.593 2.347 30 10 IEEE C=CCCn1cc(C(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)nn1 1530352848 LVODXIYJKUUZPG-UHFFFAOYSA-N 427.486 2.375 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc(OC)c(I)n1)C(=O)OCC 1535344623 DRCMCLGEZWZQKM-JTQLQIEISA-N 438.649 2.499 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539220288 HYTJYLUFIBZBFI-QZTJIDSGSA-N 440.635 2.188 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cccn2)cc1 1539238189 RUSMZRIUIBOOHT-XMMPIXPASA-N 430.512 2.237 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1539347013 NRCARZBSZCSZIZ-UHFFFAOYSA-N 440.367 2.083 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539801924 LRXDIFGSGXUCPO-HOTGVXAUSA-N 433.944 2.322 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1539874746 JFQZHHVTBXTZAA-DEOSSOPVSA-N 446.640 2.359 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1539983249 WPNGMZDWDRDMDI-HOCLYGCPSA-N 437.570 2.005 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3nc4ccc(Br)cn4c3F)CC2)c1 1540000394 CCYVVLKPCGEOPL-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1cccs1 1540897904 VHWZXXZYMPYEGK-CQSZACIVSA-N 425.580 2.276 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1541714233 QUJFQGILAKJBEO-OXJNMPFZSA-N 439.582 2.024 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)CCOC1 1541733674 UGICDLMANNQQIA-TXTKFYIRSA-N 446.596 2.168 30 10 IEEE CN(CCN1CCCC1=O)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1543565262 PVPQJWMAMYPQFE-HXUWFJFHSA-N 426.517 2.473 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1543860768 ONDZGZIDQGZGQE-XCLFUZPHSA-N 431.541 2.488 30 10 IEEE CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1547094797 IGQITJOMFSUNCP-QZQOTICOSA-N 435.488 2.101 30 10 IEEE COc1ccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)cc1 1554962962 HBUGFPBKYBVBKC-DLBZAZTESA-N 426.521 2.472 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccccn3)n1CCCOC(F)F)C2 1555987749 NASVHKFUTSKGBB-UHFFFAOYSA-N 441.442 2.428 30 10 IEEE N#CC1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555992363 OUVJAIATPLIVTR-FCQUAONHSA-N 445.527 2.330 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1557362423 JALHHOVKJCNCSD-FQEVSTJZSA-N 447.601 2.356 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)nc1 1558464788 NRFMVLZHHYKRPE-INIZCTEOSA-N 425.876 2.435 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc3ccccc3c2)c1=O 1559448819 RJYRFLCXEYLXHT-UHFFFAOYSA-N 434.452 2.015 30 10 IEEE CSCC[C@H](C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1583060938 JXZCKCCPCCJACB-UAFMIMERSA-N 425.554 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1587620390 CUDNKCAIMORGOB-MSOLQXFVSA-N 433.560 2.382 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1587898756 WKUWGDCDQZRBSC-HXUWFJFHSA-N 441.507 2.410 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1ncccc1N(C)C 1588166854 RJOYYMTZSKCTSE-UHFFFAOYSA-N 430.512 2.448 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)cc(Br)c2)C1=O 1588299599 XNDDLDOZRNUUME-UHFFFAOYSA-N 445.067 2.127 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)C(C)(C)C 1588386611 QLNZKNGPDPFJME-HKBQPEDESA-N 443.621 2.459 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cn[nH]c1 1588432673 GPZIJQAMPBTQDR-UHFFFAOYSA-N 432.576 2.068 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589097014 KLCNVKOKKUZXQK-LJQANCHMSA-N 444.605 2.144 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1593872481 HZOPTNVIQMEMEC-NEPJUHHUSA-N 429.930 2.016 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCCS2(=O)=O)c1 1596611137 HGYTTYFQLTYXQC-XMMQZVGTSA-N 441.575 2.185 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1598228521 SJONDLMHCGDJQK-DEOSSOPVSA-N 446.559 2.264 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cs1 1612418877 CIDKJQYXNLOWOV-GOSISDBHSA-N 442.570 2.448 30 10 IEEE Cc1nnc(N2CCC[C@H](CN3CCC(C)CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612581441 FCFQLYPNOXAMTN-XKXPVHLMSA-N 441.580 2.061 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1617851501 JBIDERRAPGHLFI-UHFFFAOYSA-N 428.539 2.439 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1618120708 VIFYJWMYGMUXKG-AUSIDOKSSA-N 441.532 2.397 30 10 IEEE CO[C@H](C)c1nc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cs1 1618927423 ANTADPQKODRJLS-RHSMWYFYSA-N 425.518 2.205 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2ccnc2C)c1 1619135261 CDVNKBCEOBWDKG-FQEVSTJZSA-N 437.504 2.286 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1619987934 DBHLPXHEPXVYKW-IBGZPJMESA-N 448.612 2.367 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)C(=O)/C=C/c3ccc(F)cc3)C2=O)c(OC)c1 1623605756 GOQHFKQNXUSNSJ-GSXXRBPTSA-N 426.444 2.343 30 10 IEEE C[C@H](CN1CCOCC1)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1624578733 XCYWUXZFLVNIOA-OXQOHEQNSA-N 428.533 2.229 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1625299635 LQAJTJALYVLWMS-INIZCTEOSA-N 436.944 2.285 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1628508752 YDPRHMODVRPJDY-LJQANCHMSA-N 426.480 2.441 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1637184481 HGWZFEFYXYKZIH-OPAMFIHVSA-N 440.537 2.138 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1639600394 FHMWMZCCVJWRRM-PXNXFKTISA-N 432.521 2.199 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1c2ccccc2CC[C@H]1O 1647730304 ACDDGQIFKJXQGF-ZVDOUQERSA-N 441.553 2.449 30 10 IEEE C#CCN(C(=O)c1ccn(CCn2cccn2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973325 JMXFLIMFEWZBME-UHFFFAOYSA-N 426.521 2.255 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 1654466126 OAIJGSLUOZQTPF-RUZDIDTESA-N 431.540 2.491 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCC(C(=O)NCCCN2CCCCC2)CC1 1657880637 OZVYCIJPGPSUCA-QFIPXVFZSA-N 428.577 2.002 30 10 IEEE C#C[C@H](NC(=O)Nc1ccn(CCN2CCNC2=O)n1)c1ccc(Br)cc1 1664800149 UEBNTZLXGFPXSV-HNNXBMFYSA-N 431.294 2.167 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NCc1ccccc1 1689830877 DFYYVXPYHPYHMH-FDDCHVKYSA-N 425.533 2.095 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1689916696 RZMJOQATFHDOFB-SFHVURJKSA-N 438.532 2.416 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1690003219 HNLVVYYJCFSKKN-IMSXRSKXSA-N 427.593 2.371 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC(=O)NC1CCCCC1 1690031588 POORGRBWLXJFRH-UHFFFAOYSA-N 426.565 2.108 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(C)(=O)=O 1690036994 ILQOLKBKMQPOIW-UHFFFAOYSA-N 445.614 2.288 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC2CCOCC2)CC1 1690133548 KWPSKUZPGBKASJ-UHFFFAOYSA-N 439.560 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OC)c2)CC1 1690142601 RCKHFTBMGGVICQ-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690181079 OUTJVCHGPNMJDL-UHFFFAOYSA-N 443.495 2.115 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1690602497 QQTWRSAASASZMP-IYBDPMFKSA-N 439.582 2.272 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1690668833 KXTXEJUFVGKKOA-LJQANCHMSA-N 433.516 2.223 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690749235 WGKRQIQWJMVJPE-KRWDZBQOSA-N 430.553 2.483 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)Cc1ccccc1 1694737591 DURVXFRCKZZHHG-UHFFFAOYSA-N 444.543 2.092 30 10 IEEE CCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1696431389 GNXZCYWNFPPBCZ-NRFANRHFSA-N 425.468 2.153 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C#N)CC1 1697936054 CGQCOKBFGFUUDF-QFIPXVFZSA-N 429.521 2.393 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCSCCCO)c1 1698485528 GWFNNDVUVGDJEV-PMACEKPBSA-N 443.573 2.317 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705659198 ODBNWEMNLRFCKX-UHFFFAOYSA-N 444.649 2.435 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC)C1 1705685719 HQZKAZVVLVPMNY-GJZGRUSLSA-N 425.375 2.306 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705792392 SHAWEXCKXNWGED-SFHVURJKSA-N 449.621 2.231 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705822097 STJZGBGUWZUZRW-LJQANCHMSA-N 447.609 2.110 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C)n1CCS(=O)(=O)N1CCSCC1 1705878114 UXBJHKHICBOLCF-UHFFFAOYSA-N 435.619 2.200 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](SCC)C1 1705894810 MAGQIEXDPLCUPT-INIZCTEOSA-N 443.577 2.340 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705907529 PGULZRZMSRGDSR-RTBURBONSA-N 441.580 2.226 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705943106 ODSOIOXMFAODQL-UHFFFAOYSA-N 436.607 2.167 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1706643660 ACNVANUTZZKRCK-UHFFFAOYSA-N 432.532 2.459 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1707218184 COONKXSUMPALPC-HXUWFJFHSA-N 440.548 2.365 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1709008900 ALBULUCHGAJQLI-DEOSSOPVSA-N 446.559 2.425 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)C1 1710346790 NCXFCSTZJHQLPH-WDSOQIARSA-N 446.552 2.473 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722334525 GXWICYHGFQVZOV-JOCHJYFZSA-N 434.588 2.334 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1722413747 QZHUDHJXHPMHTQ-LJQANCHMSA-N 430.530 2.075 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1722423901 TXOQCWYOJORDKJ-NFBKMPQASA-N 426.517 2.378 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCOC1 1722534523 OJFNQGJPAMATFI-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722702212 LGHDGLWZDGRUND-UHFFFAOYSA-N 434.903 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722751237 RMSHQQYWLFEPGY-IEBWSBKVSA-N 445.589 2.227 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)C1 1722828552 DXDIHHXHTILWAM-HXUWFJFHSA-N 432.532 2.456 30 10 IEEE Cc1ccsc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1724148317 IBCXBGNBOPYVTB-AWEZNQCLSA-N 428.543 2.417 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1726516403 CPBGQOMZZFECSV-HOCLYGCPSA-N 428.562 2.385 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cnn(C)c2)n1CCC(C)(F)F 1726641848 FALCADREQXEJNW-CQSZACIVSA-N 442.478 2.101 30 10 IEEE N#Cc1cccc(-c2nnc(N(C[C@H]3CCOC3)C3CC3)n2CC(=O)NCC(F)F)c1 1731180696 CHDZNFQTFYGPLI-OAHLLOKOSA-N 430.459 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1740549739 GTVCQEJBKXGOFQ-ICSRJNTNSA-N 445.589 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1740560798 PSOLPPXTJZLBSA-KRWDZBQOSA-N 430.574 2.355 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1740566531 VRZXDMYQVDGYAD-QGZVFWFLSA-N 443.573 2.244 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 1740643585 KYMGECPYRZCAEJ-UHFFFAOYSA-N 438.551 2.095 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740690611 YBMMGKYRUHZVAN-FQEVSTJZSA-N 443.640 2.072 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740701987 GRYDLXKTZHAPRO-PZJWPPBQSA-N 444.624 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C(F)(F)F)CC1 1740703825 BJFAEMDJHALTQX-UHFFFAOYSA-N 435.454 2.289 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(C)=O)nc1 1740736898 ZLDNOTWCXYJBGM-GREBRCKQSA-N 438.532 2.396 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740845021 BOJKCAWVUITCRM-QHCPKHFHSA-N 449.563 2.486 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(C)c2)C1 1740976794 NVDLDRRZWHNVAS-FQEVSTJZSA-N 435.532 2.198 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740990880 IOUYAOQSGBFKOS-UHFFFAOYSA-N 431.562 2.272 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccccc1F 1741663291 PTIRMQGMLVGXOC-UHFFFAOYSA-N 435.463 2.139 30 10 IEEE Cc1cc(CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)no1 1742124537 FKUQOYLGNHTJIP-HNENSFHCSA-N 427.509 2.326 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCSCC2)cc1 1748679727 IGRVDTXWDOVFNM-SFHVURJKSA-N 438.601 2.460 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1748756835 XIFZBSJYPHQKHF-UHFFFAOYSA-N 432.532 2.111 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCn2ccnc21 1748831570 PZDLRECAVFZYCB-IBGZPJMESA-N 448.552 2.196 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)CN1CCOCC1 1748851721 LANSPLQYYMOATK-OAQYLSRUSA-N 430.556 2.322 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C(C)C)N1CCCC1 1748855954 NBNZHTCIHMTTHX-IBGZPJMESA-N 438.601 2.463 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1748920432 AHIXDGIIKPLPDQ-UHFFFAOYSA-N 430.559 2.148 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nccnc2C)CC1 1748999391 SWCSMGUXELKLQV-UHFFFAOYSA-N 435.507 2.093 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1749067612 VNHISABXSMDMFY-OXQOHEQNSA-N 449.602 2.021 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1749489294 UAOYEYCPAONOSG-PKOBYXMFSA-N 449.577 2.009 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1)C1CC1 1749508373 PIIAWUCLKINCOM-CQSZACIVSA-N 432.550 2.050 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CC1 1749831583 DBYABASTZLBLTE-UHFFFAOYSA-N 449.490 2.488 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750862639 YMZLTIAZKLDPCE-UNEBPCJRSA-N 428.537 2.008 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(C(=O)N(C)C)c2)n1 1751836966 CEGFUBZLFBLXEZ-INIZCTEOSA-N 434.548 2.486 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760137431 JUWNISLWSLMYBP-QZTJIDSGSA-N 437.610 2.287 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760186924 HASLLQSMZCVREP-SJORKVTESA-N 448.614 2.471 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1760187981 MLZPDBKWSNXWKA-OAHLLOKOSA-N 427.368 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1760199342 XMBSHSFQLQRHJK-HNNXBMFYSA-N 432.933 2.115 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](C)C2)n1 1760252226 LGGVRSSEXIOXPU-NSHGMRRFSA-N 439.564 2.148 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1760340922 SXSWXWGQSFZWEH-UHFFFAOYSA-N 438.532 2.380 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760524852 LIFSXKYSGFHAGT-VQIMIIECSA-N 428.968 2.497 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(S(C)(=O)=O)CC2)C1 1760540822 PMENJGHJTKGTIA-MRXNPFEDSA-N 432.546 2.312 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1766159759 JGPGRZOUUYLMPH-XDTOLWODSA-N 447.580 2.379 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1769141206 HELQBRLDENWYRL-LIRRHRJNSA-N 436.472 2.122 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1769818577 ATQIAHCPIYFWBF-MHECFPHRSA-N 448.527 2.405 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1OC 1770044283 VGFBAHZVJPVLJD-VGSWGCGISA-N 442.495 2.319 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1771530368 JHMCTSCDAFARRV-IIDMSEBBSA-N 446.449 2.225 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCC(N4CCC(C#N)CC4)CC3)CC2=O)cc1OC 1848655133 JWLZKNAPWSPQFA-GOSISDBHSA-N 440.544 2.283 30 10 IEEE CN1CCc2c(sc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)c2C#N)C1 1851000592 FACKHGLNURVMOP-UHFFFAOYSA-N 428.489 2.223 30 10 IEEE CCn1nc(C(F)(F)F)cc1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851871045 DLXKJENCYNKWCI-UHFFFAOYSA-N 432.410 2.064 30 10 IEEE CN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)c1ccc(C#N)cc1 1852171307 LMJHNFLTQGVLJO-JOCHJYFZSA-N 436.537 2.344 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(COc3cccc(C#N)n3)CC2)c1 1852389278 XUCQBHONALJSMA-UHFFFAOYSA-N 428.514 2.135 30 10 IEEE CN1CCC[C@H]1C(=O)O[C@@H](COc1ccc(C#N)cc1)CS(=O)(=O)c1ccccc1 1852506074 XLFRLFNXBGDNTD-FPOVZHCZSA-N 428.510 2.417 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)OCc2ccc(C#N)c(F)c2)CC1 1852543954 XFROUMPGAHWWEA-DLBZAZTESA-N 431.464 2.456 30 10 IEEE Cc1ccc(C(=O)O[C@@H]2CON(S(=O)(=O)CCCOc3ccccc3)C2)cc1C#N 1854364258 HZAFXKKVYZVUDZ-FQEVSTJZSA-N 430.482 2.438 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(SC)cc2)C1)[C@@H]1CCN(C)C1=O 1857076212 BNIDXQXDVSDGKL-UYAOXDASSA-N 429.586 2.435 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1OC 1862601874 OZCMMHKISQZYEX-CWTRNNRKSA-N 443.452 2.377 30 10 IEEE C=CCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1871592960 BBOQCEQJAIIVQC-UHFFFAOYSA-N 427.862 2.481 30 10 IEEE C[C@@H](C#N)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883385896 GHHIJGRNNFISFY-ORAYPTAESA-N 428.466 2.305 30 10 IEEE COc1ccc2c(C(=O)N3CCC(COc4nccnc4C#N)CC3)cc(OC)nc2n1 1891581995 BHWYVPPRBLNQOC-UHFFFAOYSA-N 434.456 2.240 30 10 IEEE C=CCN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)C(=O)OC(C)(C)C 2015023721 JPPQHVJJCHVRJQ-GJZGRUSLSA-N 441.525 2.378 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060635432 LWBGXYSBHPRIPY-KRWDZBQOSA-N 433.358 2.379 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2124532412 KAAKIMPCQSRECF-YYIAUSFCSA-N 446.357 2.396 30 10 IEEE N#Cc1ccc(F)cc1CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195348686 SGAXACJJVASZPU-GOSISDBHSA-N 434.445 2.382 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2232320147 HCJRWMNCFOMJNK-ZBFHGGJFSA-N 447.341 2.328 30 10 IEEE Cc1cnc(N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232323991 SMRSLIUOOSBIPS-KRWDZBQOSA-N 446.401 2.334 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)COC1 2247823079 LCLVVRQHXSJOAC-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1 2247823417 OMMKAUPFJTXNPI-UHFFFAOYSA-N 437.371 2.442 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247862676 FPSVLPWEVQEYNE-ZIAGYGMSSA-N 438.355 2.069 30 10 IEEE C=C(CS(=O)(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2)B1OC(C)(C)C(C)(C)O1 2247962078 KVQMFBHJMNPGFW-MGPUTAFESA-N 442.387 2.493 30 10 IEEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405525 RRIRHLADPYQNIE-IBGZPJMESA-N 441.359 2.311 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255541309 ZRHWXSTVJMSWMN-PBHICJAKSA-N 431.342 2.366 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255543964 RFULJONOKLPBTG-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE C[C@@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255698963 MAPKSLIVFRITKD-CQSZACIVSA-N 431.342 2.366 30 10 IEEE COC(=O)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255821845 HGJSRRLBLIMGFX-UHFFFAOYSA-N 428.269 2.335 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255849357 OKGXPPVDXDRPOI-GJZGRUSLSA-N 437.321 2.391 30 10 IEEE C[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255880037 YZUSDQLDIBMDBT-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267096370 JGQVGNUREHINBJ-PEBXRYMYSA-N 446.357 2.086 30 10 IEEE CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)CN(C(=O)OC(C)(C)C)C1 2267136590 LLSNXMPFIZOPTA-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267159939 MSBYEBZAPFTANO-VQIMIIECSA-N 438.381 2.421 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 2267229718 CQRICMAQGRRSNJ-MSOLQXFVSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267479894 RIQCCBSVTLQXGI-QILLFSRXSA-N 443.353 2.366 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267502120 JCTCORGBIKQIMR-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267547561 MAFQWSSMXSAHEM-CQSZACIVSA-N 446.357 2.151 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268636960 JABFULQCAUMQQW-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2271470269 DNZNBRQUCAMORU-GAJHUEQPSA-N 448.369 2.401 30 10 IEEE C#CC(CO)(CO)NC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2274554274 ZJWGNGIXYKJMBO-UHFFFAOYSA-N 427.295 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278783941 MYDOTTMUBSNQOC-QAPCUYQASA-N 443.363 2.210 30 10 IEEE CC#CCN(CC(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2300536265 BTUSCKNJXRKTSS-DEOSSOPVSA-N 429.561 2.390 30 10 IEEE C#Cc1cnn(C2CN(C(=O)[C@@H](CN(C)Cc3ccccc3)NC(=O)OC(C)(C)C)C2)c1 2317275883 SCYZBORBAXNUPN-OAQYLSRUSA-N 437.544 2.273 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccncc1 2330792505 TYUIUTVACXDHNH-OAHLLOKOSA-N 437.529 2.161 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337289767 MXYXDTCHQBGVJU-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342480212 BAZSDOIOAXTPKS-OAHLLOKOSA-N 434.165 2.430 30 10 IEEE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CC(C)(C)C#N 2364439759 CEULITFZMOZPPM-UHFFFAOYSA-N 428.150 2.256 30 10 IEEE C=CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(OC)c(OC)cc21 13789738 WENODDXKQCYJOP-FMQUCBEESA-N 439.559 2.005 30 10 IEEE C=CCn1c(SCCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)nnc1C(F)(F)F 20840144 MLBOTXBZCOGZTN-UHFFFAOYSA-N 425.392 2.487 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1C 103089393 NDJKSXUAQBCRIF-SADKCHQCSA-N 437.496 2.153 30 10 IEEE COc1ccc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1O 169905601 SBOUCDWSSFDSMY-LZYBPNLTSA-N 430.236 2.384 30 10 IEEE CCOC(=O)c1c(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(C#N)cn1CCOC 432421769 QQQQEGWICJREHI-VVBPWWLESA-N 448.520 2.373 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cn1 462079017 BQZHLTIHFFDSKD-HXUWFJFHSA-N 435.463 2.473 30 10 IEEE CCc1ccc([C@@H](COC)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 466060889 DFJDREAUSZTBFN-GOSISDBHSA-N 446.529 2.117 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccccc1Br 469191496 YCDOTCQIRCKZQQ-ZDUSSCGKSA-N 436.331 2.346 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccsc2)c1=O 478850199 DEGVCJWUOLDDDW-UHFFFAOYSA-N 439.537 2.444 30 10 IEEE CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 478851514 GTQIQNCTPBTTDJ-KRWDZBQOSA-N 426.538 2.054 30 10 IEEE COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481223215 ACHRYMNALBSZOD-APWZRJJASA-N 427.526 2.467 30 10 IEEE Cc1ccc(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)c1 482059256 GRCAZLACAPBHDR-UHFFFAOYSA-N 426.542 2.458 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@@H](COc4ccccc4)C3)C2=O)cc1 487175209 RUJYVYCHPRHTLT-YADHBBJMSA-N 434.496 2.149 30 10 IEEE Cc1ccsc1[C@H](CO)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 494642761 KQDBYIOJWBMWQG-INIZCTEOSA-N 441.513 2.148 30 10 IEEE N#CCOc1ccccc1C1=NO[C@@H]2[C@H]3C[C@H]([C@@H]4C(=O)N(Cc5cccnc5)C(=O)[C@H]43)[C@H]12 504708489 ZJVAWWXWSPYHTM-KQMANQECSA-N 428.448 2.154 30 10 IEEE CN(C)CCOc1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 505518719 AMAGIOJQIWJEEO-OAQYLSRUSA-N 449.511 2.020 30 10 IEEE COCCN(CCOC)C1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 512831074 BAPGPHSJHYIJDY-INIZCTEOSA-N 434.606 2.495 30 10 IEEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc(OC(F)F)cc1 517477055 ZLIRLOMXQIBQFC-UHFFFAOYSA-N 439.426 2.406 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 549248845 ZKYBFTGJZYDPDF-UHFFFAOYSA-N 433.578 2.336 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 573579803 VAOATUQLRGNNOO-LJQANCHMSA-N 441.532 2.366 30 10 IEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 573764948 NKLFDOJKQKOWAG-UHFFFAOYSA-N 447.561 2.153 30 10 IEEE COc1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1C#N 576196988 QDLRRYLAKVGHLG-UHFFFAOYSA-N 449.554 2.220 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2Cc2cccs2)cc1 576609764 KCWSDSLEPFFXGQ-GOSISDBHSA-N 436.541 2.359 30 10 IEEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1C 590915155 MQFOLBIPOADERU-LJQANCHMSA-N 439.581 2.042 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)cc3F)c2)C[C@@H](C)O1 609229888 CRMJGKSVQZBWFK-HUUCEWRRSA-N 431.489 2.425 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CCC(=O)N2C)cc1 609658913 IJZHGNRQQDQOLU-RBBKRZOGSA-N 433.512 2.220 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC(OCCCO)CC1)CCCC2 610683022 XXNHVUCQVSKSAH-LJQANCHMSA-N 444.576 2.219 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(C)C)c2=O)cc2c1OCCO2 614899902 PZZYSUZGAZKRNA-UHFFFAOYSA-N 442.537 2.074 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(Cc2ccccc2)c1=O 679755161 MPOAKCFKZZGVOZ-UHFFFAOYSA-N 432.549 2.437 30 10 IEEE Cn1cc(/C=C/C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(=O)n(C)c1=O 728193592 UMZONFRWNAHSEW-RMKNXTFCSA-N 434.427 2.326 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1 729246792 TUNGKDNPVMGTFS-UHFFFAOYSA-N 448.504 2.257 30 10 IEEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)(F)F)cc1 730139442 QBSOHTKGZMUWJW-OAHLLOKOSA-N 442.463 2.218 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C/c3ccnc4ccccc34)CC2)o1 735554492 QCWXINRDRYFZME-VOTSOKGWSA-N 431.452 2.308 30 10 IEEE CSc1ccc(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1NC(C)=O 741339155 BXTCOXLOVHVOLT-FMQUCBEESA-N 431.470 2.009 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1C#N 747496940 WBVFDUKWIJSWCF-UHFFFAOYSA-N 447.539 2.354 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCCCC1 760407590 XPCFYTOARWJVNY-UHFFFAOYSA-N 428.470 2.063 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc1 761056233 LVLOEMIXBQEXPN-VQTJNVASSA-N 431.945 2.427 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2C2CCN(C)CC2)cc1 764983371 YXPQBNGBKQIXNN-UHFFFAOYSA-N 433.533 2.464 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 777321053 ZYTRBRFTSUURCB-OAQYLSRUSA-N 445.472 2.422 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)CCc1ccc2c(c1)CCO2 778872936 YBOHOIPXEFAHNF-UHFFFAOYSA-N 425.466 2.488 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C1 786571545 QEBAXYNDJXGGNL-OAHLLOKOSA-N 437.443 2.316 30 10 IEEE C=CC[C@@]1(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCCN1C(=O)OC(C)(C)C 790663314 ZMDJALWUNMGXLG-QFIPXVFZSA-N 447.536 2.026 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)Oc2cc(C#N)ccc2I)cc1 798463428 CAOGMQZQXKSDJH-UHFFFAOYSA-N 442.234 2.290 30 10 IEEE Cc1cc(C)c(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)c(C)c1 916776027 OLOVZDPGVNWSIK-IBGZPJMESA-N 425.510 2.483 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 924942488 WMTRMKOUBMYHBO-JQHMZKTJSA-N 446.548 2.446 30 10 IEEE COc1cc(/C=C2/NC(=O)/C(=N\S(=O)(=O)c3ccc(NC(C)=O)cc3)S2)ccc1O 1081805927 FIGVYSWDFPXCSS-BQDZKJHTSA-N 447.494 2.308 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H]2CCCCO2)CCN1C1CC1 1118981494 SMOZUVQDYXMJIO-RBUKOAKNSA-N 436.516 2.419 30 10 IEEE CS(=O)(=O)[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1C(F)(F)F 1130920103 RIYDBNNVNKEWNK-GHMZBOCLSA-N 425.226 2.368 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC#N)c1ccc(F)cc1C 1131906275 YVELSFLEOBVQNN-UHFFFAOYSA-N 447.488 2.334 30 10 IEEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cc(C)c(C#N)c(C)c3)CC2)cc1 1136664619 KJEFQXXNOPGBLM-UHFFFAOYSA-N 440.569 2.220 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1153333432 QJBXZSAWRUXOLE-HOTGVXAUSA-N 426.897 2.243 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1156247970 ULUXCRORIDFVES-GOSISDBHSA-N 425.514 2.134 30 10 IEEE CCOCn1nc(C)c(C[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 1156591250 CCNHDHLEDQRWQJ-ZHRRBRCNSA-N 437.544 2.462 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c1 1167251926 OFELYIQEUBERJX-UHFFFAOYSA-N 443.525 2.120 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1182453866 IERHRDFAIQKVCZ-HNNXBMFYSA-N 443.533 2.193 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCN(c4ccccc4C#N)CC3)C2=O)cc1 1248374611 DAIMPMZFAYKVOI-JOCHJYFZSA-N 442.523 2.499 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1254001535 FZWQJNYHIMCPPU-SFHVURJKSA-N 446.552 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1286304748 OUANHFKBDOVINA-PXNSSMCTSA-N 430.574 2.497 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286338297 KWDYOIXTEFIHGA-UHFFFAOYSA-N 445.527 2.217 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1286391460 IVFJITODHOLRHL-GOSISDBHSA-N 441.582 2.309 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286394294 NTGRGPBPPIBSCC-PMACEKPBSA-N 433.622 2.264 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286539774 CNOAEQPBMPYYPZ-MRXNPFEDSA-N 433.354 2.477 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1286687630 KWFPQQQBNAUGKT-SFHVURJKSA-N 433.582 2.045 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286693565 UORUHNWKFTZROR-GFCCVEGCSA-N 437.488 2.202 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1286732559 WIIVGPNQFNBAIL-LBPRGKRZSA-N 439.611 2.240 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286788700 CQEOPMVARVYODT-LJQANCHMSA-N 448.527 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC2)C1 1286811160 AIHVGROOFGTJAV-QGZVFWFLSA-N 430.578 2.147 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1292019699 DVJTZARZDNAZGF-NYHFZMIOSA-N 442.520 2.094 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 1292374077 IFZSQWIWLNGHAE-HXUWFJFHSA-N 442.560 2.148 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC1(C(N)=O)CCOCC1 1298283339 CNZNAEZBUVMEFL-UHFFFAOYSA-N 433.516 2.074 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1300306997 BCMPSRKNPSYYIR-STQMWFEESA-N 442.463 2.427 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)CCCC2)n1 1300681038 KFXNKNCXRGCEMS-IBGZPJMESA-N 439.564 2.292 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)c(OC)c2)CC1 1300719840 SCWYOLBVPZMPIT-UHFFFAOYSA-N 445.527 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)OC)CC1 1300730931 HFSFRBCZESEVMK-LJQANCHMSA-N 439.560 2.475 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300755487 UCQZGEVHENYBEO-KRWDZBQOSA-N 435.557 2.199 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNS(C)(=O)=O)CC1 1301087414 GNFNRFPXDIJANA-UHFFFAOYSA-N 425.505 2.243 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1301305154 QGCVZJRYJXZEAX-NRFANRHFSA-N 438.576 2.405 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301435740 OZVSKJUWHDEQPI-ZBFHGGJFSA-N 427.505 2.119 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1301479172 VQKOPASZBWRBMZ-UHFFFAOYSA-N 430.940 2.206 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H](C)CC#N)CC1=O 1301861434 UZMMEHKYVKHOJL-HZPDHXFCSA-N 441.492 2.087 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1302111207 IESHPADBQNRTCS-INIZCTEOSA-N 432.475 2.449 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1305614220 MUEULIIYLKNYSY-HNNXBMFYSA-N 433.520 2.000 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCC[C@H]1C 1313824506 DWVDPGUOMNTCIE-IIBYNOLFSA-N 431.562 2.239 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358926004 YOTHVYMGCCYIDQ-GCJKJVERSA-N 438.551 2.486 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359083192 DFMMDIPLHRBWNJ-UONOGXRCSA-N 433.372 2.094 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359157197 BHQGUIJZMHWWOX-KXBFYZLASA-N 438.916 2.341 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359190395 OFIGCABKGGXPLW-UHFFFAOYSA-N 425.581 2.076 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1359271550 XTFQMIYHMRVENG-NRFANRHFSA-N 436.560 2.288 30 10 IEEE C#CCONC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1453280007 LHKZUCLEKAZBLX-UHFFFAOYSA-N 434.464 2.368 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1464619604 RPORLSYEPGWKRC-RTWAWAEBSA-N 447.601 2.441 30 10 IEEE C=C[C@H](COC)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1467331138 BOVSLSXDMZOILU-CYBMUJFWSA-N 444.326 2.066 30 10 IEEE C#CCN(C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1471173754 SPYRLPSKCUEPTR-IIAWOOMASA-N 441.347 2.493 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1477801829 KKHSKRLHCJKVIE-GOSISDBHSA-N 448.608 2.391 30 10 IEEE CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1498049646 FFDUDRXNWWDORH-IBGZPJMESA-N 447.499 2.379 30 10 IEEE CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1498798958 HIRINRNLFDNYDP-UHFFFAOYSA-N 426.565 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1CCCO 1507656521 JCOXNLVCYAUVRA-OAQYLSRUSA-N 430.556 2.270 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1OCCC1(C)C 1507680499 HWWKJJRESNUOGP-IBGZPJMESA-N 445.589 2.470 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCN1CCOC1=O 1507701469 HWSZVLDZYOAKOI-SFHVURJKSA-N 427.480 2.403 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[C@@H]2CCCCO2)CC1 1507718990 JEYAOMFUGWJRRA-URXFXBBRSA-N 445.608 2.423 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C)no2)CC1 1507735064 JBJBFWOPIWFCEE-UHFFFAOYSA-N 439.907 2.304 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507846155 DNJDGALZLBQQLL-JOCHJYFZSA-N 439.608 2.073 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](CCOC)C1 1508070932 GPEBBOALKNQJJA-GOSISDBHSA-N 440.548 2.312 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1508154411 AIFZSCPKYGOGRX-INIZCTEOSA-N 446.577 2.230 30 10 IEEE Cc1cccc(N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1510674674 WEGKVDNMUQWJLV-XUTLUUPISA-N 430.472 2.338 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC[C@@H](C)C1 1512069006 ZVGHEMBRJGANER-MSOLQXFVSA-N 436.564 2.446 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C)S1 1512495610 BOXNSROKQAGLGD-HZPDHXFCSA-N 449.602 2.494 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCOC2)cc(OC)c1OC 1517973830 JQYTZWBLMVNXLL-DOTOQJQBSA-N 443.504 2.126 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCOC2)CCO1 1521120965 DOVBZZYBPDQKMH-WMZOPIPTSA-N 444.923 2.017 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 1530268490 FADCZRMFXTWSES-CALCHBBNSA-N 427.526 2.481 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(=O)Nc4cc(F)c(F)cc43)C2=O)cc1 1535446583 UJKIIIGSHMSVKS-HNNXBMFYSA-N 439.378 2.027 30 10 IEEE C#CC[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1537399862 PMHQMHYPGUAJHU-XOBRGWDASA-N 432.318 2.478 30 10 IEEE C#CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)C1CCN(C)CC1 1538303435 OVZPBNLIGJBCAD-UHFFFAOYSA-N 427.242 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1cccnc1N1CCOCC1 1539311530 QCVMKRIUVZTPNP-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1539428924 YCJALMNCBOPIBK-FQEVSTJZSA-N 440.592 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1539640932 KQNNZQKKXIBDJB-GREBRCKQSA-N 447.580 2.003 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539752042 ZYVHWHUZBOYJMV-YADHBBJMSA-N 441.576 2.230 30 10 IEEE Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1540261611 AYKZIFSHEGPPLA-UHFFFAOYSA-N 430.505 2.436 30 10 IEEE C=CCn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861546 WJUVQGMFCRFKHV-IMSXRSKXSA-N 446.640 2.500 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1547486711 ZZHIZFZZJDBVPC-MBOBHEEDSA-N 441.580 2.240 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1556454104 RZCRYVPUAJHDQS-SFHVURJKSA-N 436.965 2.007 30 10 IEEE N#CCc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1 1557190739 DQETYWBQCDSODT-UHFFFAOYSA-N 436.331 2.500 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1560023211 QLFCZPGQILUKDD-CYBMUJFWSA-N 441.532 2.496 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1567229256 FVHZYHZRQUMHBV-HNNXBMFYSA-N 429.498 2.102 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2cc(F)c(C#N)c(F)c2)C1=O 1567951095 HGLSGPASPVAYBS-JOCHJYFZSA-N 442.422 2.237 30 10 IEEE CSC[C@H](C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1587186187 KSRGCIKCQWXARP-OIMFZILRSA-N 440.569 2.372 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccc2F)CC1 1587803577 GTDCBXQZMBELDO-UHFFFAOYSA-N 427.528 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccco1)N1CCCCC1 1588158553 GWLMTEKKIFBXJI-FQEVSTJZSA-N 434.544 2.294 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N1CCOCC1 1588284543 UBMXHAINGGXWFH-UHFFFAOYSA-N 446.349 2.334 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@]2(C)CCCO2)n1 1588724407 YUFUCYDBKHXFEP-QHCPKHFHSA-N 435.532 2.392 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588769266 QTGVWBKMJWHYNR-QHCPKHFHSA-N 435.601 2.009 30 10 IEEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCNC(=O)C1 1589027145 LHUQQKHNONSCJO-UHFFFAOYSA-N 437.525 2.420 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1594732932 JOSYDPJBBPPRLW-HZPDHXFCSA-N 436.557 2.253 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)OC)CC2)cc1 1595613790 IIEJUEFDOSEHFX-UHFFFAOYSA-N 437.504 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1595788687 GXRRKZWOAVCVCL-HNNXBMFYSA-N 428.518 2.239 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)N(CCOc3ccccc3Cl)C1)CC(=O)N2 1596428469 GVRPWQPJRUVFNF-OAHLLOKOSA-N 438.871 2.424 30 10 IEEE CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1611537795 MEKFWMSUIAETCO-UHFFFAOYSA-N 438.550 2.036 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(F)c(N4CCOCC4)c(F)c3)C2=O)cc1 1618730366 GSHPCOVNLWFJEJ-FQEVSTJZSA-N 440.450 2.204 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1620309783 CMCYHMCGGONAQU-PBHICJAKSA-N 439.520 2.042 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCC(F)F)CC1 1620351448 AGVVLCIPGZBZOU-KRWDZBQOSA-N 447.490 2.395 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCCCCO)cc1 1620352220 NPSAULFLAVKIKJ-QZTJIDSGSA-N 427.461 2.005 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@H]1CCC[C@H]1C#N 1620488371 XCQALZLYDWCYLB-UNMCSNQZSA-N 444.601 2.022 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1632533238 QMWLLGBRGWLOBP-STQMWFEESA-N 432.468 2.412 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1635933624 OMJKXTCQBRDLHT-HZPDHXFCSA-N 425.489 2.288 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@@H](C(F)(F)F)O1 1637260124 XTRDNTRDPNDURI-KCXAZCMYSA-N 438.406 2.332 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1639294668 GHIRWXYNAFBIJP-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 1640893444 RQLSGGGLKFQFFJ-NVXWUHKLSA-N 427.339 2.196 30 10 IEEE C[C@H](CC(=O)Nc1nccc(Br)c1O)/N=C1/NS(=O)(=O)c2ccccc21 1642793234 FISUZLIIMKESDJ-SECBINFHSA-N 439.291 2.006 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN([S@](C)(=N)=O)CC2)n(Cc2ccc(F)cc2)c1C 1644417826 KXHZOFCTSCZZPS-HKBQPEDESA-N 446.552 2.312 30 10 IEEE C#C[C@@H]1COCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1663802119 WLHQGKPECNHZAE-XPWALMASSA-N 428.529 2.458 30 10 IEEE C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1664619621 JVFBVBQUOSJVFJ-KRWDZBQOSA-N 428.576 2.135 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1)C(=O)OC 1670894460 XZHQINJJQHUTKI-KRWDZBQOSA-N 433.486 2.129 30 10 IEEE C#CCN(C(=O)NCCNc1ncccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 1683216638 MSEUYSXFXHQCMU-UHFFFAOYSA-N 426.521 2.409 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1690038399 OGAFIDFHJQNXOF-UHFFFAOYSA-N 427.574 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)[C@@H](C)CC 1690043923 SQMVMCWNZAUEMW-IBGZPJMESA-N 445.571 2.385 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCCOC)C1 1690175088 PTCXXUWZGVKCAB-PXNSSMCTSA-N 444.557 2.399 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1690246433 UMIFFZLTTLIAGV-MGDNZTJNSA-N 426.558 2.346 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)CC1 1690250980 NTIRZQMLQBEHSX-WIYYLYMNSA-N 446.621 2.383 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690419335 OFSDMGDEFFLBIC-INIZCTEOSA-N 438.536 2.084 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1690597276 OTKOWEPCZNBTCS-APWZRJJASA-N 430.530 2.404 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690620105 PVHBZLNLTGIEFK-UHFFFAOYSA-N 431.541 2.184 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1690663043 KGHMYZCFAAWAHQ-UHFFFAOYSA-N 435.532 2.004 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2occc2C)C1 1690699900 KUKPEIXKJMBPKR-MSOLQXFVSA-N 429.521 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccccc2)C1 1690710520 SGYQTMBESOJAEY-AUSIDOKSSA-N 425.533 2.090 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccccc2)C1 1690722216 BGBZZCOODIGYEQ-FQEVSTJZSA-N 441.557 2.462 30 10 IEEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1695202521 BPCBLGLBERMLGK-UHFFFAOYSA-N 430.578 2.029 30 10 IEEE CN(c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1696648421 MFUUCSDSXCZSKA-VXPUYCOJSA-N 426.452 2.121 30 10 IEEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1697145462 DALVPMPCSPYYIR-YJBOKZPZSA-N 434.566 2.067 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697203093 OSRUXOZYMPPIES-GNDBUYPCSA-N 428.537 2.467 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(C#N)o1 1697286252 IFXIPLUCNHTNCS-UHFFFAOYSA-N 426.864 2.446 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCc1cnn(C)c1 1698244481 QMVJFAFYDDFIOC-PMACEKPBSA-N 427.553 2.498 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCn2cc(Br)cn2)C1 1698483480 DARINPIFFHHRNJ-GUYCJALGSA-N 438.305 2.273 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705514016 HEBXMHGRENDLRT-UGKGYDQZSA-N 435.576 2.132 30 10 IEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705520339 QPBYCVDJACDLGY-UHFFFAOYSA-N 445.589 2.175 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(OC)CCOC1 1705557218 ZQMPZISBWTUKHD-IBGZPJMESA-N 435.322 2.495 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705569998 LUGZCDRLOPXLMR-INIZCTEOSA-N 447.611 2.370 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1705583340 WCFHCXXJUSILPM-NFBKMPQASA-N 449.555 2.100 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1705612937 SOJFGVBXLVXKLJ-FQEVSTJZSA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(SC)cc2)CC1 1705632374 NXVLIWLFJNDGEA-UHFFFAOYSA-N 426.590 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1705652951 STFDERGDTITKPH-QGZVFWFLSA-N 443.523 2.387 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1705786209 IRDXXUGQCCQMSJ-MRXNPFEDSA-N 426.631 2.411 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1705861800 OZGRJRMPCSRUKZ-LJQANCHMSA-N 445.589 2.288 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1705862495 MJYBIHARFFRRRG-PGRDOPGGSA-N 429.496 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(CCC)C2)C1 1705913891 ANZXNZOLWBLDAZ-RBUKOAKNSA-N 439.564 2.439 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(F)(F)CC2)C1 1705916052 NKYCXVKEQKHDRK-ZBFHGGJFSA-N 447.552 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1705920716 CZIMXLATXBOHRU-VQIMIIECSA-N 432.546 2.170 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1706603037 HJIWFCJCYVKAOQ-FQEVSTJZSA-N 437.520 2.162 30 10 IEEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711172763 FQFHINRGTVLLOY-HNNXBMFYSA-N 438.504 2.190 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)c1 1711698687 LPIJKGUEEIZFPX-SFTDATJTSA-N 431.468 2.210 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1711793651 DXAJDIZUTMAYRZ-IEBWSBKVSA-N 445.589 2.493 30 10 IEEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722329872 HOMNGUAIMSIUOE-KRWDZBQOSA-N 438.557 2.377 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366302 HLIUFZJKZNGIHJ-GOSISDBHSA-N 443.573 2.234 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1722411453 GTUOZAFNQZFJEF-UHFFFAOYSA-N 444.543 2.059 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1722420740 INWRPBCUSLRREE-SFHVURJKSA-N 440.523 2.170 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1722437363 MBIQCFJAICDOFL-UHFFFAOYSA-N 440.567 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)c2ncc(C)s2)CC1 1722450368 FWYFDQTWZMNYRG-HNNXBMFYSA-N 430.578 2.349 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CC1 1722565230 OLDZJQGQRGQJCL-HNNXBMFYSA-N 434.342 2.435 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722697572 MJLZGKDSJMMXBX-MRXNPFEDSA-N 443.552 2.269 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](SC)C(C)(C)C)C1 1722709894 BDYVIHUZWSVRQA-BZUAXINKSA-N 445.655 2.447 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1726739842 FAAYUMCNWLDNBH-AOIWGVFYSA-N 438.532 2.068 30 10 IEEE CCSc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)ccn1 1729251194 HRHGERYAJVNKPK-ZIAGYGMSSA-N 437.595 2.039 30 10 IEEE COCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730672557 JROQVBJYHDBPJF-IBGZPJMESA-N 425.493 2.456 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1740608913 FOOUDSZNBWXCQN-LLVKDONJSA-N 429.365 2.122 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1740698972 RNJVVNLOXVDIQB-NHCUHLMSSA-N 428.625 2.265 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)o1 1740751577 LYKHLRQRBYRIEH-RYRKJORJSA-N 437.566 2.407 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1740787694 HHVCJZKKFBSOHW-KRWDZBQOSA-N 449.577 2.013 30 10 IEEE C=CCn1c(N2CCN(c3cccc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949778 RTCAWFZMPXOTII-JOCHJYFZSA-N 428.537 2.237 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccc(Cl)cc1 1740957337 KJLMUESMBUDQRL-UHFFFAOYSA-N 429.912 2.149 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1740979834 LPBOMXNIRZNXMQ-HZPDHXFCSA-N 448.568 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccc(OC)c2)C1 1740986490 YYHSUMWKQCVSCN-WOJBJXKFSA-N 441.532 2.350 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2ccnc2)c1 1741134643 FOVDKHBKDWYNOQ-SFHVURJKSA-N 432.532 2.289 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C[C@](C)(O)CCOC 1744688738 CKERNWONXVCYFB-XMMPIXPASA-N 449.559 2.374 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1748640426 VAOQTQZAPSYPHC-QWHCGFSZSA-N 425.942 2.057 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1748671698 MNOQLWQNOMXBTF-WIYYLYMNSA-N 439.560 2.484 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1748785145 ZVZPKMFUSNWYIP-QGZVFWFLSA-N 436.516 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1748898730 QRDPNVMXLHVRCV-WCWDXBQESA-N 442.523 2.053 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCCOC2)C1 1749019953 GVVZGMNWIXEEAL-NRFANRHFSA-N 426.546 2.299 30 10 IEEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1749246045 FIVSFUJOTFJHKM-UHFFFAOYSA-N 445.571 2.235 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749277532 FLMQMZKCWQOBSD-LIRRHRJNSA-N 437.953 2.406 30 10 IEEE COC[C@@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC#N 1749350041 IOGZLQFGRBCRKY-HIFRSBDPSA-N 437.545 2.270 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749370648 NPVJGNNHWLUUPB-GOSISDBHSA-N 432.594 2.384 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCCC)CC1 1749666107 HMWRRARIINLWRM-UHFFFAOYSA-N 439.564 2.083 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)NCC1CC1 1750120469 SVLGWCKVEKDBPC-FPOVZHCZSA-N 438.532 2.036 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760146720 UUNUDIPEGJYWSC-GOSISDBHSA-N 438.594 2.353 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760275246 SQUISZDMFLVHJF-JKSUJKDBSA-N 444.536 2.137 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)NC)CC1 1760283893 CAQGZTXGEVSGSR-UHFFFAOYSA-N 442.589 2.302 30 10 IEEE C=C(Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1760363217 HLWSTYKUAGIWCP-SFHVURJKSA-N 431.562 2.013 30 10 IEEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760442893 XAXWTZDJQJWRIG-UHFFFAOYSA-N 426.565 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760520310 JROKZGMEXBYNSW-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760532560 YOUBDDGXLJTCOG-MJGOQNOKSA-N 425.533 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC2(CC2)C1 1760557817 XBMXOONITOKFDE-UHFFFAOYSA-N 449.602 2.251 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)C1 1769209774 GYJUBWMZANPECL-QGZVFWFLSA-N 434.500 2.353 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1769247685 FNIRUNYYUILBJX-PZJWPPBQSA-N 440.548 2.379 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1769548368 HZEIMDTZSGQOML-UZLBHIALSA-N 437.447 2.063 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769723116 PEWNDRKDBQYROC-PANRORFQSA-N 430.553 2.398 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1770911587 FMLLVIJRXAZWIG-SESVDKBCSA-N 441.532 2.131 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCN(CC(F)(F)F)C1 1771281576 MYWNTFDEHOIBRY-NCOADZHNSA-N 444.502 2.482 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)c3nc4[nH]cnc4cc3Br)CC2)CC1 1849722427 MSLYCTPPDDEEQX-UHFFFAOYSA-N 445.321 2.335 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)c1cc2n(n1)CCC[C@H]2N1CCOCC1 1851342089 UGKVXSABJYCILS-OAHLLOKOSA-N 431.294 2.332 30 10 IEEE CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCC#N)CC1 1852649276 FXQYFMQMZDAWAN-SFHVURJKSA-N 426.970 2.091 30 10 IEEE COc1ccc(CN2CCn3nc(C(=O)N4CCCc5nc(C#N)ccc54)cc3C2=O)cc1 1852844231 RYXSBYKQDYFRLD-UHFFFAOYSA-N 442.479 2.407 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cc(-n3cccn3)ccn2)cc1 1853328182 VREQDYLHKCDCHI-OAQYLSRUSA-N 433.468 2.076 30 10 IEEE C=CCN1CCN(Cc2c(Cl)n[nH]c2C(=O)N(C)CCc2c(C)nn(C)c2C)CC1 1853571901 CKAPTDRYIQHKDS-UHFFFAOYSA-N 433.988 2.032 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(F)c(F)c2)CCN1S(=O)(=O)c1ccccc1C#N 1854458208 HRQIXPWIXTXTJV-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)c3sccc3F)C2=O)CC1 1854831400 JOHOVTAIPAILGT-KRWDZBQOSA-N 427.505 2.497 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C)C(C)(C)C2=O)[C@H]1c1ccc(C#N)cc1 1856056620 GPBIGWSWXZABCT-RTBURBONSA-N 428.558 2.031 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858319045 TUEZHSHQUJXGQU-SFHVURJKSA-N 433.555 2.423 30 10 IEEE Cc1cc(=NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc[nH]1 1858678027 AIZGSXIVQIVBDT-UHFFFAOYSA-N 449.492 2.124 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1C(=O)O 1862738454 BDRDGGUBWNNBTB-GOSISDBHSA-N 439.424 2.433 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862754983 USHIFRDOIHNRKR-ADLMAVQZSA-N 428.397 2.268 30 10 IEEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870413738 FHEKDLIBVOPNIA-IBGZPJMESA-N 439.556 2.495 30 10 IEEE C#CCOc1cn(Cc2ccccn2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871007621 KLOIEIMOLLIIDY-UHFFFAOYSA-N 428.448 2.142 30 10 IEEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N(CCOC)CCOC)ncnc21 1873593416 PFYYONZBWNAALY-UHFFFAOYSA-N 446.596 2.178 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2nnn(CC(=O)OCC)n2)c1 1873753768 RDPUYJBHJIWLBH-UHFFFAOYSA-N 437.456 2.486 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1sccc1C 1874433522 PAVPWMNTWXEWGR-ZVBGSRNCSA-N 432.531 2.168 30 10 IEEE Cc1cc(C)n(-c2ccc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)n1 1890278131 KGXAKGJMOKVQOE-UHFFFAOYSA-N 438.513 2.383 30 10 IEEE C#C[C@@]1(Oc2ncnc(I)c2N)CCCN(C(=O)OC(C)(C)C)C1 2012584204 LBPYOLGRDZBKML-MRXNPFEDSA-N 444.273 2.445 30 10 IEEE C=CCC1(NC(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 2020662945 ISUVHNVNQKCRNK-UHFFFAOYSA-N 439.553 2.430 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634291 XRNVPASGULBHTG-QGZVFWFLSA-N 434.342 2.488 30 10 IEEE CC(C)(C)OC(=O)N1CCC=C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2062100335 KCWQLISBNFXJBE-HNNXBMFYSA-N 430.314 2.280 30 10 IEEE C[C@@H](C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1)N1CC(NC(=O)OC(C)(C)C)C1 2068909166 WVLPAJANDWGUCM-HNNXBMFYSA-N 435.374 2.374 30 10 IEEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661574 XLRLXOJWBUMUCM-BBRMVZONSA-N 435.330 2.248 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCCC(=NO)C1 2164486673 HREHQQXOSDHCDH-VBKZILBWSA-N 439.509 2.341 30 10 IEEE C=CCn1ncc(NCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2238454076 JMENGEMJFYEOEA-SFHVURJKSA-N 443.342 2.366 30 10 IEEE C[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243417109 QDCYUYKSTQQDAM-LBPRGKRZSA-N 446.400 2.239 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)C1 2247556395 NSJQBPHHUNGTTG-TXCIGDHXSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H]2C[C@H]21 2247831828 FHZGYKJWHREVIH-ZIAGYGMSSA-N 435.355 2.276 30 10 IEEE Cc1nn(C)c(C(=O)NCCCN(C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255627175 OZTGARVYHHJJIC-UHFFFAOYSA-N 426.370 2.280 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255630259 HZADCVTXZYCXGX-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CO[C@@](C)(CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2255832735 QMHAQWBRDOCWSA-QFIPXVFZSA-N 429.326 2.061 30 10 IEEE C[C@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255875169 STMOMNMHOWXHEY-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256680647 ZZDSZHLLWGCBGN-ZDUSSCGKSA-N 438.305 2.339 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)C1 2256761334 JVQTWSGXQDNKFB-UHFFFAOYSA-N 442.512 2.423 30 10 IEEE CC1(C)OB(c2cnc(N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c(F)c2)OC1(C)C 2256889265 QAVKXUNMPGRNQX-STQMWFEESA-N 429.223 2.262 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2267152260 MBKYSQXBFCBJNS-KOSHJBKYSA-N 436.365 2.032 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267487978 FUUYIZANZDUBMU-HKUYNNGSSA-N 438.381 2.217 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C 2267491873 KEYMZYJWDLUDOW-LJQANCHMSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]21 2267518305 CXUHFOCTADJORZ-GOEBONIOSA-N 446.357 2.180 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267871769 DWEDIUFLTNCNJC-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE C#C[C@@H](C)N1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2315338019 BRXYGBCCMRKWGJ-NLFFAJNJSA-N 440.588 2.322 30 10 IEEE Cn1cc(/C(O)=N/C2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 15951867 OITMJKUQMNPKDK-UHFFFAOYSA-N 433.530 2.197 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC(/C(O)=N/C[C@H]2COc3ccccc3O2)CC1 20181920 PVLQTASBXLBAKM-INIZCTEOSA-N 435.502 2.489 30 10 IEEE COc1cc(NC(=O)COC(=O)CO/N=C(/C)c2ccc3c(c2)OCO3)cc(OC)c1 61967757 NSTYOCVAZKOPML-QRVIBDJDSA-N 430.413 2.355 30 10 IEEE Cc1c(N2C(=O)CSC2=NN=C2C(=O)Nc3ccccc32)c(=O)n(-c2ccccc2)n1C 252632971 VYLWNDBRMGSTBG-UHFFFAOYSA-N 446.492 2.277 30 10 IEEE Cc1c(NC(=S)NN=Cc2ccc([N+](=O)[O-])cc2O)c(=O)n(-c2ccccc2)n1C 254420420 SNBQUQGFAGSHDO-UHFFFAOYSA-N 426.458 2.419 30 10 IEEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCN1CCO 427438048 BUWPPBONWAJQME-OXQOHEQNSA-N 440.931 2.459 30 10 IEEE CCOC(=O)CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)(C)C 441276038 GRFCMJFEHSHBGQ-UHFFFAOYSA-N 435.546 2.149 30 10 IEEE N#CC1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 443228507 RPBLPIHIZBLKOC-UHFFFAOYSA-N 425.576 2.469 30 10 IEEE CN(C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CCN(c2cnccn2)CC1 443323081 VPYYGUWLPPOCPU-UHFFFAOYSA-N 448.405 2.313 30 10 IEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460375741 QQKLEMZOWBAZKC-IBGZPJMESA-N 447.561 2.132 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccn2)c1=O 478754632 PXSQXBSIVCNKDX-QGZVFWFLSA-N 431.517 2.101 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1C#N 489228482 KTNHKVHMDVCVOE-UHFFFAOYSA-N 444.948 2.459 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 502653603 MIRIWFNGYBJPKX-CQSZACIVSA-N 433.461 2.124 30 10 IEEE COc1cc2c(c(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c1)O[C@@H](C)C2 506802977 FDSCNKLQNYMMGC-INIZCTEOSA-N 427.526 2.397 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)NCCCOC)CC1 508870885 CIEJGTZMYOJSKK-UHFFFAOYSA-N 428.493 2.408 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCC2CC2)c1=O 516829803 VNOYIHVPUXICIS-UHFFFAOYSA-N 437.565 2.136 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1C 533054495 CFHQKHSVYAPHLX-UHFFFAOYSA-N 439.604 2.426 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N(C[C@@H](C)C#N)C3CC3)CC2=O)cc1 533142014 YWZDCUALEXYKKM-IRXDYDNUSA-N 446.573 2.221 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 540967138 STBSXIRRFUDEQJ-AEFFLSMTSA-N 447.902 2.202 30 10 IEEE CCn1cc(Br)c(=O)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 542734812 UBKKMZNPFQKUFR-UHFFFAOYSA-N 427.236 2.211 30 10 IEEE COc1cc(NC(=O)CCN2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OC 546920614 CQDNLJJYLWZAAN-UHFFFAOYSA-N 425.489 2.130 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 572767091 ZYTCITVRKCWCLP-FHWLQOOXSA-N 431.562 2.227 30 10 IEEE CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586858936 MRLFSRLZNFBFBC-VXKWHMMOSA-N 443.567 2.109 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 619742126 HTQJDTHFONFZIE-OXQOHEQNSA-N 439.520 2.028 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(C)c1 685545421 CBZXGMYBWMZSGM-MOPGFXCFSA-N 431.562 2.447 30 10 IEEE N#C[C@H]1CNC[C@@H]1c1cc(I)c(O)c(I)c1 687744780 LKLPYANBONMVFR-JGVFFNPUSA-N 440.022 2.428 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(Oc2ccc(F)cc2)nc1 732446766 WILOBMLWWQQZEU-FMQUCBEESA-N 425.420 2.339 30 10 IEEE N#C[C@H]1CN(Cn2nc(N3CCCCC3)n(C[C@@H]3CCCO3)c2=S)CCN1C1CC1 732672119 DDZNSAONLIXXNP-OALUTQOASA-N 431.610 2.213 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CCCCC1 754007303 HNUOFKPZSUGGGS-UHFFFAOYSA-N 431.514 2.373 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NC1CCN(c3ccccc3C#N)CC1)C2=O 757032790 VSJDEDDBYWARIT-XHNJZIHCSA-N 437.544 2.390 30 10 IEEE CCC(C)(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 757921868 NBRSXUVJFDCAGB-QGZVFWFLSA-N 447.605 2.221 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767874035 DQCAJRVFHRBKPG-ALOPSCKCSA-N 439.512 2.450 30 10 IEEE Cn1ccc(N2CCC[C@H](ON=C(N)c3ccc(CNC(=O)OC(C)(C)C)cc3)C2=O)n1 769842740 RBQSFVXNRPICGY-KRWDZBQOSA-N 442.520 2.277 30 10 IEEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771449697 ZALQRCXMPBIHME-MWTRTKDXSA-N 445.516 2.127 30 10 IEEE COc1ccc(Cn2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cn2)cc1OC 778600781 VBQFSJRCKVFUOP-UHFFFAOYSA-N 440.481 2.080 30 10 IEEE Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 780178551 FCKRKYMVMFDEGB-QHCPKHFHSA-N 440.500 2.405 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)cc1 782643374 VQYBNHHGDGABEF-UHFFFAOYSA-N 434.427 2.474 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)[C@H]1CCCO1 786817209 SRLTYJPQRADWCF-SJLPKXTDSA-N 440.327 2.407 30 10 IEEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)c1 794612115 SUVJFHXKEAOQQQ-INIZCTEOSA-N 438.480 2.438 30 10 IEEE C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1 798747817 NWVDUJWYSXEDMZ-JKSUJKDBSA-N 446.467 2.384 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)=NO1 798989031 FLHSYSATWLUFPP-SFHVURJKSA-N 441.532 2.331 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1c(C)nn(C)c1C 800783287 AWGYQZYDXCEUHT-UHFFFAOYSA-N 428.566 2.411 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 802558817 YQLPWCNATGRXSH-SFHVURJKSA-N 447.561 2.294 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 805785662 ISMHMWBMTJOMQU-QGZVFWFLSA-N 444.513 2.344 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 809921932 QIYNAAOKABYLLN-KSZLIROESA-N 432.569 2.445 30 10 IEEE C#CCONC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc12 812785643 AYLYFUHWCGLQGT-UHFFFAOYSA-N 441.465 2.435 30 10 IEEE COCC1(c2noc(CCCCC/N=C3/NS(=O)(=O)c4ccccc43)n2)CCOCC1 815716839 QENFXQVWPLNDJY-UHFFFAOYSA-N 448.545 2.216 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777458 CVOTUOJUKDTBMU-IBGZPJMESA-N 441.509 2.208 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 916777830 WEPSXLUSOUDHAV-UHFFFAOYSA-N 444.490 2.385 30 10 IEEE N#Cc1ccccc1N/C(S)=C(/C(O)=c1ccc2c(c1)CCC(=O)N=2)[n+]1ccccc1 917612050 DAWVUKDYJXFXRA-UHFFFAOYSA-O 427.509 2.473 30 10 IEEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1158724667 BGHAODWANRHBKU-UHFFFAOYSA-N 428.392 2.282 30 10 IEEE C=CCN1CC[C@@H](N2CCC(c3n[nH]c(CNC(=O)OCc4ccccc4)n3)CC2)C1=O 1174883112 NZWDSNUVBSTKGB-LJQANCHMSA-N 438.532 2.197 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCO2)cc1 1198217873 BMBLKGQZYJJKNY-HSZRJFAPSA-N 432.524 2.484 30 10 IEEE C#C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(F)cc1 1211945893 HNAXOXQTJCKDBC-SFTDATJTSA-N 446.500 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1286274453 NYNYSLFBCLHQLN-DLBZAZTESA-N 445.589 2.477 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286370988 CMGNTHANDORMDD-UHFFFAOYSA-N 431.500 2.141 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1286387497 RWAHFFGFMFWYHX-GOSISDBHSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1286431204 MWFNUYYCESRXHO-HNNXBMFYSA-N 433.438 2.166 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Br)cs1 1286464828 FNGXJUVGPGOVSH-CQSZACIVSA-N 438.351 2.188 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@@H]2COCCO2)CC1 1286484109 IBJNDWJFCYBHPX-HXUWFJFHSA-N 441.601 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286524090 DNNSQCTXLYWYMA-FXAWDEMLSA-N 433.603 2.204 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286564317 MRYMZVKTUNXMBC-ZVDOUQERSA-N 445.589 2.259 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1286727772 ZGMADLLKVFXVQA-MRXNPFEDSA-N 448.568 2.254 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1286799652 YISSMDCBJBCCGZ-PGRDOPGGSA-N 431.512 2.244 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1288983145 JVMYENHAXOKVFD-HNNXBMFYSA-N 444.517 2.418 30 10 IEEE CCOCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297222523 BHPJHGKBFCNVTA-JVMRMLDLSA-N 446.552 2.125 30 10 IEEE C=C(C)CONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1300219847 LWZSAAJVGSXZDE-UHFFFAOYSA-N 437.562 2.047 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCc1n[nH]c(C)n1 1300439329 AXNXZLKNLNWHPE-UHFFFAOYSA-N 430.310 2.455 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC(=O)N1 1300606731 SAFOMVQPOJZAPQ-CYBMUJFWSA-N 432.322 2.454 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1300637796 LEKOZZOFYTWHCS-IBGZPJMESA-N 435.322 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(N(C)C)nc2)CC1 1300722809 LOGXTUAMBMJDJN-UHFFFAOYSA-N 435.576 2.411 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1301000812 YUUOWLAMHHHVDF-KRWDZBQOSA-N 429.496 2.400 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301041612 MSWGKYGXRCAJRS-KRWDZBQOSA-N 430.940 2.350 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C(C)(C)C)s2)C1 1301566002 IOVJEBFROJFSOT-OAHLLOKOSA-N 445.593 2.379 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1302001360 SYDAPAIHXSAMSK-ZWCUEREDSA-N 433.553 2.470 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)n1 1313135805 IIDRXYAIWKMOSB-GOSISDBHSA-N 447.898 2.272 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1313490324 WLKVJWSBTDFEAB-UHFFFAOYSA-N 426.521 2.178 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)c1ccc(F)cc1 1315212408 CHPKWNOMLZYJAX-QGPMSJSTSA-N 435.525 2.303 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1315962039 CEYVLKOMGOIKCG-QTEQDKRBSA-N 425.533 2.467 30 10 IEEE COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1316109429 DEQUDTBMVSELAU-VQTJNVASSA-N 443.573 2.157 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358970511 QDJYRWOYSMRZBF-JPYJTQIMSA-N 445.564 2.305 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H](C)CN1CCOCC1 1359016051 NWYLBJRKOIYWRS-IBGZPJMESA-N 449.534 2.482 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(C(=O)N(C)C)CCCC1 1359026473 ZBSQRLKMLVWREM-UHFFFAOYSA-N 444.605 2.368 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359049273 LRKGJKZHMSLCSP-BBTUJRGHSA-N 438.594 2.143 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359149534 BYPDLZJMCNTXNC-KRWDZBQOSA-N 448.930 2.452 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1359267357 DNHWQYUIERIRMX-UHFFFAOYSA-N 439.545 2.113 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1359466465 BRQZUGOQKFBCHP-WYIRRWHOSA-N 448.980 2.368 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1360798361 HVUNMULEKIBYGA-VGOFRKELSA-N 437.479 2.085 30 10 IEEE C=CCSCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1435850782 GIANINGPKKSORM-FQEVSTJZSA-N 430.567 2.370 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)C1 1444167001 JPQZEYUFWXTCKX-IBGZPJMESA-N 439.313 2.368 30 10 IEEE O=C(CSc1ccccc1C(=O)N[C@H]1CCCN(O)C1=O)Nc1ccc2c(c1)OCO2 1450268011 JDBBYUKLQGJPME-HNNXBMFYSA-N 443.481 2.256 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)cc1 1456063932 NNUYHRSXHKVFSF-UYAOXDASSA-N 446.511 2.368 30 10 IEEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1456224800 VUQUTMVNSPPEDW-JVGYHMDPSA-N 447.557 2.285 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O 1457012118 DQIRUXKFWVRQFP-QWFCFKBJSA-N 427.526 2.058 30 10 IEEE C=CCn1c(SCC(=O)N=[S@](C)(=O)N(C)C)nnc1[C@H]1COc2ccccc2O1 1458824434 DVMBZCNNMGMVOA-HOLBHBGLSA-N 437.547 2.170 30 10 IEEE C#CCN(C(=O)[C@@H]1CCc2nnc(O)n2C1)[C@@H]1CCOc2ccc(Br)cc21 1465180050 VAIYPZUKZSLWCA-IUODEOHRSA-N 431.290 2.294 30 10 IEEE CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)N(C)C)cc1 1470032238 GJCDUJZBPDYKEC-PKTZIBPZSA-N 448.571 2.327 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1471274967 HUBVFXAFQHKLLD-UHFFFAOYSA-N 425.493 2.283 30 10 IEEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(CC2CCC2)c1 1472303388 FZPMXOHUTWHRJK-OAHLLOKOSA-N 429.546 2.379 30 10 IEEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1472364541 WKEILEBCKKIFKX-FLSMSTFGSA-N 437.515 2.300 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCCN(c3ccccc3C#N)CC2)CC1 1473147477 NMCBLBWSURGSHV-MMPATGFWSA-N 429.561 2.306 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](Cn3ccnn3)C2)n(-c2cccc(F)c2)c1C 1473660777 TZXGOHCWYBLIIS-IBGZPJMESA-N 437.479 2.036 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1475545519 ZNPNJZWMDWZAMX-CYBMUJFWSA-N 429.336 2.431 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C1CCOCC1 1479008478 UOJUNYDIWPUAQO-NRFANRHFSA-N 447.601 2.365 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC(C)(C)Cc1ccc(C#N)cc1)CCS2(=O)=O 1479524161 GZOAQUKHNJXNTL-DKTYTTGXSA-N 447.557 2.078 30 10 IEEE CCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499009199 IKLYJXJVRKWGDN-DQRAZIAOSA-N 436.516 2.247 30 10 IEEE CCN(c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1501641940 NBEQLNSNGOYTTR-DQRAZIAOSA-N 448.531 2.278 30 10 IEEE CN(CC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503451905 RXZIBZQOMPABMX-FBMGVBCBSA-N 445.405 2.342 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1504886323 CLUFAVYEOIBEOP-KCXPTXFHSA-N 435.569 2.103 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1COc2ccccc2O1 1504888006 ZDUMWDUHHAXBHE-IBGZPJMESA-N 434.500 2.470 30 10 IEEE CS(=O)(=O)CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1)C1CC1 1505133427 NZEJKDVFCFSMGQ-UHFFFAOYSA-N 431.543 2.457 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1 1507698859 RYBXKVWZAWNZLM-IBGZPJMESA-N 428.556 2.482 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(Cn2cccn2)c1 1507709863 CMGURPWQQYYVPE-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Cl)cn2)CC1 1507721407 OGFDUVIICFJQGN-UHFFFAOYSA-N 431.331 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507806420 AHGGOENUPUTBGZ-IIZPIQPGSA-N 433.597 2.343 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507846324 IDLTUWOZYXUWEW-HSZRJFAPSA-N 437.548 2.342 30 10 IEEE C=C(Cl)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507874244 IAEJOCGXPKWGKB-OAQYLSRUSA-N 439.988 2.231 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1508130135 UZCTZOLWFQIOJZ-FQEVSTJZSA-N 448.527 2.489 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1509945988 FHTPVZNEMDPUIX-LHSJRXKWSA-N 441.561 2.019 30 10 IEEE CC1(C)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1510328842 NPGANLRKCGFMMJ-QZQOTICOSA-N 435.532 2.417 30 10 IEEE CCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCOCC1 1513623094 BQMJNRAZOPCWKX-GCJKJVERSA-N 433.553 2.254 30 10 IEEE COC[C@H]1CCCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1518847045 SDMIMZOOVJBQSL-UAFUQJIBSA-N 428.537 2.010 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)C1 1519374048 LUZYOOLOOSNHFU-HXUWFJFHSA-N 435.532 2.457 30 10 IEEE COCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1519407251 STMRIMJNINHHKO-NRFANRHFSA-N 440.548 2.381 30 10 IEEE N#CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2I)CC1 1530359120 MRBVGOPTHZSNRU-UHFFFAOYSA-N 435.269 2.195 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H](O)C1 1538983722 VZYNLNGQZKGEJX-JENIJYKNSA-N 445.589 2.204 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539088979 CVERNLSVZZFCEN-MRXNPFEDSA-N 439.520 2.442 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(=O)(=O)CC 1539095308 BWYMOKDJFXIRFZ-UHFFFAOYSA-N 442.383 2.330 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2occc2C)n1 1539423685 CIRLBXCKNXZARC-UHFFFAOYSA-N 432.488 2.168 30 10 IEEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539998511 JTEVATAKCYRIBJ-GOSISDBHSA-N 425.537 2.306 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(OC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876297 MZUBGHSVZLEGDO-JOCHJYFZSA-N 435.569 2.015 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1545094315 RUBAMNZGRNIMTN-NUJGCVRESA-N 445.955 2.222 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1546838359 BRICWNKUIWQEPX-HSZRJFAPSA-N 434.548 2.428 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)cn1 1547613049 HSZYKEOXGYEGLV-KRWDZBQOSA-N 439.545 2.104 30 10 IEEE CO[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1554620246 ZRTBWEINXHQWDH-CHWSQXEVSA-N 425.415 2.489 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc1 1562197345 JJIOTYOTLKGCCL-LJQANCHMSA-N 436.578 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N(C)C)CCSC1 1587663034 SYJZIYDQKYOXRZ-QRWLVFNGSA-N 432.619 2.165 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cccnc1 1588006384 KWEUEOWWTQYMEU-UHFFFAOYSA-N 429.572 2.350 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588050830 VRBZCDYWSHWXMP-GOSISDBHSA-N 444.557 2.042 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1589171717 PPYNCIKMZZCWLU-OAQYLSRUSA-N 439.545 2.000 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(SC)CCN(C)CC1 1589234394 RJYFERLHOVJWJY-OAQYLSRUSA-N 430.622 2.220 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1589556877 FESKBTNBICGEPN-PXNSSMCTSA-N 426.521 2.134 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1594830105 UASQVGVWXXXEDI-PKOBYXMFSA-N 438.536 2.099 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCC(C#N)CC1 1595824053 WBILCLABLNNGHD-UHFFFAOYSA-N 429.546 2.240 30 10 IEEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1597449167 WEZXWQPBVSHDGD-IAGOWNOFSA-N 432.525 2.258 30 10 IEEE Cc1ccccc1-c1nnc(N(C)CCn2cccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1612262381 ZZALBZVJCFVPQD-XDOYNYLZSA-N 446.515 2.113 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@]3(N(C)C)CCC[C@H](C)C3)CC2)c1C#N 1612469576 CHSJYPBPGAXQIQ-SBUREZEXSA-N 439.612 2.337 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1613403344 BGOMZHKJVBHQMG-KRWDZBQOSA-N 439.564 2.018 30 10 IEEE C=CCN(C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@@H]1CCS(=O)(=O)C1 1615932018 PBDIATNPHBYJQC-MSOLQXFVSA-N 428.595 2.468 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1618242724 ACFRQMMHRJVUKN-UHFFFAOYSA-N 441.532 2.297 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)CC1 1618895050 FEQBIKZLKAASTO-GOSISDBHSA-N 437.548 2.437 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(OC)C2CC2)cc1 1619321977 CDMQASNCYUADGF-SIKLNZKXSA-N 427.505 2.410 30 10 IEEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1620078382 XZPOQNBOMQJLMB-UHFFFAOYSA-N 438.488 2.177 30 10 IEEE C=CCOc1ccccc1CNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1621798901 AFSCPDGDQNFSNC-KRWDZBQOSA-N 426.535 2.307 30 10 IEEE C[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1625622273 FJTQSDSMTVWWRG-ZRGWGRIASA-N 447.557 2.427 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1627086204 BHFZOSIYMNGHSA-UHFFFAOYSA-N 440.569 2.089 30 10 IEEE C[C@H](CC(=O)NC[C@@H]1CCN1C1CCCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1632339640 DVFACZPERDQPPC-AEFFLSMTSA-N 432.590 2.417 30 10 IEEE C[C@@H]1CN=C(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)S1 1633587456 QCHIYGPJARURKA-CYBMUJFWSA-N 448.390 2.392 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)cc2C1=O 1635338167 QVFZKEAHRJSBGL-INIZCTEOSA-N 443.500 2.224 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1638911571 UYAADGHBYLFSKF-JKSBSHDWSA-N 429.521 2.117 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 1640766932 HPMNYZQEYCRXME-INIZCTEOSA-N 427.542 2.293 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)c1 1641700011 IZDMBPFQNQWLKT-GOTSBHOMSA-N 436.556 2.080 30 10 IEEE COCCOc1ccc(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)nn1 1641753688 HTAWFLLXXWEULR-UHFFFAOYSA-N 427.310 2.039 30 10 IEEE COC(=O)[C@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1643877947 JWCJBQBCIGCFAB-QHCPKHFHSA-N 442.491 2.366 30 10 IEEE COC(=O)c1cc(NC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)cc(C(=O)OC)c1 1655172624 MANTZPDBGABCGD-UHFFFAOYSA-N 436.468 2.345 30 10 IEEE Cc1ccc(CCC2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)cc1 1655683454 CRPCIYBMVSWATG-GMAHTHKFSA-N 429.586 2.036 30 10 IEEE C#CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1658029145 KCVKIJWSQXEPBD-UHFFFAOYSA-N 434.562 2.231 30 10 IEEE COC(=O)[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)Oc1ccccc1 1665823883 HYZAYGHLLCQJHV-MRXNPFEDSA-N 439.287 2.220 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1689861557 XARYNDZBGGUFCR-HOIFWPIMSA-N 443.573 2.456 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)CCOC)c1 1689870469 OXVZJAPJLWLVFL-HSZRJFAPSA-N 436.516 2.117 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689910642 MRWZVBCMPRETCS-GOSISDBHSA-N 429.546 2.184 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1689922793 AFQUNOZXDKFOER-UHFFFAOYSA-N 445.571 2.135 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](F)COC 1690056146 HGXNGYQMWBEBJT-OKZBNKHCSA-N 433.528 2.496 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCOCC1 1690089826 NRTAXDSLTSCHTP-GOSISDBHSA-N 435.507 2.235 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(CC)CC)cc2)CC1 1690109491 TVAIZCKHQQKBRD-UHFFFAOYSA-N 449.603 2.164 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](COC(C)C)C1 1690673418 VVPRGPHAMHKSHF-HXUWFJFHSA-N 427.549 2.110 30 10 IEEE CC(C)CCOCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692385242 PQDHCBVPOGTMHU-HXUWFJFHSA-N 426.569 2.308 30 10 IEEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1692797312 FBTQXVQPZYSSIY-NVXWUHKLSA-N 430.459 2.489 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)cc1C 1693122017 SFBOUHMUNCKTGX-JOCHJYFZSA-N 443.527 2.167 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@](C)(O)c2ccc(F)cc2)CCOC1 1696053154 GMOBPMDBAYCFEL-BHIFYINESA-N 447.486 2.419 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCSC1 1697627789 HDQKSIKBVRDDHU-YWZLYKJASA-N 447.586 2.176 30 10 IEEE COCCN(C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N 1698027253 MZWFBIHOYAZHDU-AWEZNQCLSA-N 438.374 2.363 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705519128 ZWCUHUOKHDSRLR-NRFANRHFSA-N 449.603 2.200 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccccc1 1705550124 CCZAPBQIJXXXOZ-JOCHJYFZSA-N 438.557 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1 1705572946 UMJGIISTAPIOIH-UHFFFAOYSA-N 430.468 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCSC2)CC1 1705649934 JAUIIYOQWWTUEV-SFHVURJKSA-N 438.601 2.373 30 10 IEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705653345 FSHQVUBEIUNWGY-MOPGFXCFSA-N 427.574 2.138 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705704238 RKZLPIRYHSUQLX-YOUFYPILSA-N 441.580 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705899251 MIAKVUPUILJWSG-IBGZPJMESA-N 435.532 2.004 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1706943951 DWONRBPIERYSSE-XXBNENTESA-N 436.516 2.399 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1707593181 HDEVKOVBJJZISD-ZPHPHTNESA-N 443.458 2.410 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)c1 1707630543 AVDILBCDXVDPDA-FQEVSTJZSA-N 438.532 2.201 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC(C)(C)O1 1708235076 ZDCDNUHLMMJZIW-KRWDZBQOSA-N 429.521 2.131 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1710833969 BRDUOUBYYWQZSN-INIZCTEOSA-N 428.493 2.042 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1712008341 DQEMECJDYHKVFW-GOTSBHOMSA-N 440.548 2.062 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@@H](C)O1 1712283885 HWECAKQOYQIFQV-VQIMIIECSA-N 431.562 2.172 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(C)CN(C)C1=O 1712459881 XPTXPWPCQCGSEM-QHCPKHFHSA-N 435.532 2.126 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCC(F)F)c1 1712686539 VZHKDXYRCGSHEE-UHFFFAOYSA-N 439.488 2.370 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCC2)CC1 1712705248 LCENIIGXSSETFK-KRWDZBQOSA-N 426.546 2.255 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1722291102 CDKWCBJLOHXGMY-SJORKVTESA-N 432.569 2.329 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCn1cc(Br)cn1 1722354341 OLLJVNQKIQBBLM-UHFFFAOYSA-N 439.321 2.245 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@@H]1C 1722409532 CFKICFGOUOSGEW-HRAATJIYSA-N 430.578 2.249 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722452957 MMTUCLDHGLPUEJ-INIZCTEOSA-N 446.552 2.365 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1722490556 APYCIJXJIQEQKF-FGZHOGPDSA-N 444.624 2.386 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722555225 YPBZNBMYSUUOIS-HXUWFJFHSA-N 447.948 2.496 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722612028 NQSGANIYPYQMKC-CRAIPNDOSA-N 430.505 2.289 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(c2ccnn2C)CC1 1722701565 UZKRTFMHVSTKKB-UHFFFAOYSA-N 425.562 2.350 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2(C)C)C1 1722719509 VJMKLMQILSTJNN-BRWVUGGUSA-N 440.635 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722726377 DFJHZZJMLXBAAM-NRFANRHFSA-N 438.594 2.311 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC(F)(F)F 1729067327 SWVZZBVVBCIRIL-UHFFFAOYSA-N 439.442 2.334 30 10 IEEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1730880006 DBYDKGVDBVWCAD-NQIIRXRSSA-N 433.553 2.124 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1740540343 IVTCNOHORPCBDV-MBSDFSHPSA-N 436.585 2.483 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@]2(O)CCN(C)C2)c1 1740562934 OLJXFHQIIZAIPX-XMMPIXPASA-N 436.560 2.059 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740635136 LOENZPOMTDAAPB-DVECYGJZSA-N 436.512 2.373 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740714142 WRFHMZUSIOAQLC-CQSZACIVSA-N 434.928 2.318 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740739616 WQNOUBVWAHWZIS-YNEHKIRRSA-N 431.287 2.025 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740744485 BKJRPIOQERXEQO-UHFFFAOYSA-N 448.369 2.206 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS(=O)(=O)C1 1740777942 UIBUOXOCIDOTEL-SQNIBIBYSA-N 426.583 2.229 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1740913925 IYDPDRRDHRQTRQ-SFHVURJKSA-N 446.573 2.296 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)[C@H]1CC 1740954430 MDBXQZFZMUFOTO-MRXNPFEDSA-N 442.589 2.293 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccc1OC 1740957478 PDOIJAZTVCSTBV-UHFFFAOYSA-N 429.912 2.279 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1741003755 CQRRUPLSERTIJV-UHFFFAOYSA-N 440.552 2.439 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1741229429 YYZBOVGSGDOEQI-UHFFFAOYSA-N 431.541 2.169 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1747355580 BKULKTVMQYQAPI-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN(C)S(=O)(=O)CC 1748674299 RGDUAXJTCSERNQ-OAHLLOKOSA-N 439.532 2.277 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCOC1=O 1748958941 IWAPBBSCDAADIW-UHFFFAOYSA-N 436.516 2.365 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOCC)CCCC2)CC1 1748971276 KEPZYPSGWORGGU-UHFFFAOYSA-N 430.597 2.159 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749064413 UZZJTHOMVJLZMD-GBXCKJPGSA-N 435.576 2.275 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1749129899 HZPAYMBCOUBVNQ-DCXXXQMHSA-N 438.594 2.167 30 10 IEEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1749474203 YYYKNBMGZYOZRR-FQEVSTJZSA-N 436.603 2.447 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](CC)C1 1749659493 FLKQRVHMTSTAOM-INIZCTEOSA-N 429.546 2.350 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)CC1COC(C)(C)OC1 1749664460 OFTPJJKUWMWOEE-UHFFFAOYSA-N 429.521 2.091 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749677215 RPHMWKLDKUHIIC-AZUAARDMSA-N 425.533 2.207 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1749756589 ZZMVZGDVBLOXMS-FQEVSTJZSA-N 445.589 2.478 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2CCCCCO)c1 1750381913 KMYBENZRRXTLAW-UHFFFAOYSA-N 445.527 2.337 30 10 IEEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1752405954 UACGUGKKPHKLAG-XDLCVMBESA-N 441.580 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)N(C)C)c1 1760224012 UNPVNKADVIFDCK-UHFFFAOYSA-N 443.555 2.353 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C(C)C)CC1 1760287324 OKDIBKRQCQGEMT-OALUTQOASA-N 449.621 2.063 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1760295929 WULDINBYHQELOO-NNMXDRDESA-N 433.622 2.293 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760435942 BKTFVGMVUWTDSG-UHFFFAOYSA-N 434.548 2.406 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558353 MWPOWCPBGKSWKG-FXAWDEMLSA-N 426.583 2.156 30 10 IEEE C[C@@H](CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1)c1nccs1 1761385923 POITYRXLALXERB-QWHCGFSZSA-N 449.562 2.098 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1763298061 YYCVOAIYQKNWEP-PMACEKPBSA-N 438.532 2.117 30 10 IEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1)OC 1764230979 KTZUFKUHCVLMRJ-LJQANCHMSA-N 448.531 2.367 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@](C)(O)CCC(C)C 1764919032 BDVGZVWWNXEBFC-JTSKRJEESA-N 426.569 2.404 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1765012488 AHZPJUOVYADVCD-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1766157383 DCMNWZYLZZOKMX-QUENFVSXSA-N 440.479 2.101 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1769065749 AENNSNKXRZSFOR-IBGZPJMESA-N 438.532 2.390 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CCC(=O)N(C)C 1769818899 DZEYYIOWTUABOI-UHFFFAOYSA-N 433.516 2.343 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)c(OC)c1 1769983175 GFKQTUJTXVRPTB-KBXCAEBGSA-N 426.521 2.473 30 10 IEEE COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(CC#N)cn2)CC1 1852801380 WLTDNLYHYDXZEQ-OAQYLSRUSA-N 433.512 2.110 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C2=O)CC1 1853680383 GDOKXNQYVBCVHZ-AEFFLSMTSA-N 432.908 2.269 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccncn1 1854536153 BCUZOMMAOURDIR-INIZCTEOSA-N 426.498 2.325 30 10 IEEE N#Cc1cccnc1OCC1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCS3)C2=O)CC1 1855594521 YQXRQMVLPPEVKI-OALUTQOASA-N 428.558 2.457 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cccc(F)c2)cc1 1859013175 OMIMXMJLQHFQAU-DHZHZOJOSA-N 430.457 2.246 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F 1862605825 CPGDACJTVBOBAU-HXUWFJFHSA-N 440.427 2.311 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862676974 VSSVPCDUWMQQNA-GOSISDBHSA-N 427.388 2.448 30 10 IEEE C=CCNC1=C(c2ccc(Br)cc2)C(=O)N(CCCN2CCCC2=O)C1=O 1863565103 XHEZKEICZAXLSZ-UHFFFAOYSA-N 432.318 2.317 30 10 IEEE CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc2)c(C#N)c1C 1866202890 CGWGMYPSIPBKGJ-HOCLYGCPSA-N 427.482 2.319 30 10 IEEE C#CCOc1cn(CCCO)c(CNc2ccc(I)cc2)cc1=O 1871006172 SJUOVJJCPXLBLN-UHFFFAOYSA-N 438.265 2.459 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)C1 1891282016 GVECDYYKANLVTF-FGZHOGPDSA-N 449.536 2.033 30 10 IEEE C#CC[C@@H]1CN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCO1 2019034582 ZAUBSQHWOYTNNW-YKSBVNFPSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2060622164 WODCNLJGZNZKMS-OAQYLSRUSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC1 2060628280 VEKVESZDBICBFW-UHFFFAOYSA-N 435.374 2.329 30 10 IEEE C=C[C@@]1(CO)COCCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2199870191 UXTCPSNJHHZGDQ-QFBILLFUSA-N 430.423 2.400 30 10 IEEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390454 VSWFTCAKDALGPC-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE Cn1cc(C#N)c(=NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)[nH]1 2248508825 RQLITAVCUKRUPV-UHFFFAOYSA-N 425.489 2.106 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603117 BEEJUTYAGDGZFO-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630624 MUPNSMMVPHPLIO-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255647107 TZDUEEIXBCHHGM-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255707418 WBGRKNFOEBAAAW-DGCLKSJQSA-N 430.232 2.250 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255853521 RLIGNJFYLLMSET-GJZGRUSLSA-N 431.342 2.251 30 10 IEEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255941044 GGWSVFNTUXGHJT-UHFFFAOYSA-N 442.390 2.491 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256736775 HLRQJZZHTFJSBU-XEZPLFJOSA-N 449.382 2.314 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957996 SHWNBTJDIKHGCJ-IAGOWNOFSA-N 436.358 2.447 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267135949 GZAFNFUXTCACBJ-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188576 OCDKVDOKPPPUFC-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2267502169 JVOPCVVTFJRBBN-UHFFFAOYSA-N 443.353 2.382 30 10 IEEE Cn1ncc(C(=O)N[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267515118 JWDCGBCYMYCGMD-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CO[C@](C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)COCc1ccccc1 2267536108 AGFVPBZZHPCZRA-HSZRJFAPSA-N 443.353 2.071 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881352 ZRFVWMCAYISPBZ-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE CO[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2268722972 LQIDXWYBBPEUEL-KRWDZBQOSA-N 447.341 2.201 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2278736513 AYEQBJYMHMNIJB-MDZRGWNJSA-N 425.323 2.043 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1F 2296623259 XSPBPGBDYAWMLU-HXUWFJFHSA-N 442.491 2.310 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccncc3)CC2=O)cc1 2325882537 AMQWNZCZYNMRDN-MRXNPFEDSA-N 438.513 2.169 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)cc1 2326821246 NBMPDQMFNLDNCT-UHFFFAOYSA-N 427.486 2.421 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)c1 2328622021 AMXKEUURDZWJFQ-UHFFFAOYSA-N 439.497 2.230 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1F 2330749806 JQPQPNBRJKPRSX-UHFFFAOYSA-N 433.494 2.123 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 2337201008 PQCZKJGLZUVNIS-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20827645 IDVBVSACMQUCAJ-ZVBGSRNCSA-N 443.537 2.345 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 24804064 MZGAJBNKMXERMS-AZUAARDMSA-N 430.574 2.046 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)CC1 96841582 MXBWVRMVGZWKAJ-YFHOEESVSA-N 447.520 2.290 30 10 IEEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2ncccc2C#N)CC1 96996298 TZPXNTSSBKNWNI-SFHVURJKSA-N 434.544 2.123 30 10 IEEE CCN(CC)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254405910 ZJROHENWEBCPKV-BZSNNMDCSA-N 437.587 2.313 30 10 IEEE COC(=O)C[C@](C)(NS(=O)(=O)c1cccnc1C#N)c1ccc(Br)cc1 428403315 KFEHINXWIQNZBW-KRWDZBQOSA-N 438.303 2.473 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3cccs3)CC2)c1C#N 461193514 NZEQTZDUPZHGQJ-QGZVFWFLSA-N 429.571 2.267 30 10 IEEE C=C(C)C[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 464546812 GWDHZPILZZLKJF-ZDUSSCGKSA-N 441.937 2.106 30 10 IEEE CCOC(=O)c1cnc(N2CCN(C(=O)CCc3c(C)nn(CCC#N)c3C)CC2)s1 464674459 BCNSTZNJRPSRPG-UHFFFAOYSA-N 444.561 2.328 30 10 IEEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 475767357 AMATVZPGHOZPRM-KBXCAEBGSA-N 438.406 2.002 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 479821656 BFANKXZIJSMQID-OAHLLOKOSA-N 432.933 2.227 30 10 IEEE CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 484997570 RPIBKHMXRBYKED-UHFFFAOYSA-N 442.541 2.292 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1C#N 489463932 JEVDFPIIDRJAES-JOCHJYFZSA-N 434.521 2.468 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CNC(=O)c4ccccn4)CC3)cc2C1=O 492668170 LDHNJFGBMNAGQW-UHFFFAOYSA-N 432.480 2.146 30 10 IEEE CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 505012014 ANTRSMLNHUKYSB-UHFFFAOYSA-N 432.546 2.198 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccccc1C 514329436 CGXMBUIWBZEOHP-UHFFFAOYSA-N 433.533 2.245 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H](N2CCN(C(C)C)CC2)C1 525266808 IACPUZRIAQYFTG-SFTDATJTSA-N 427.593 2.431 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C1CC1 527279702 IXBDSVTWXCYVPA-UHFFFAOYSA-N 434.496 2.442 30 10 IEEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 539097885 SPGGTAJQVDKKOE-UHFFFAOYSA-N 438.509 2.408 30 10 IEEE C=CCc1cc(CNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)cc(OC)c1OC 582077589 QHYKEUDXAMFOPF-UHFFFAOYSA-N 441.459 2.112 30 10 IEEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@H]2CCCO2)c1C 590051720 KOHJVANRYAFOQY-LJQANCHMSA-N 445.544 2.487 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2F)c1=O 603798146 UOHZZYHSCQHTIV-UHFFFAOYSA-N 433.508 2.472 30 10 IEEE Cc1nc(=NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)n(-c2ccc(C#N)cc2)[nH]1 610109820 DXBFEGTYUHAHHN-UHFFFAOYSA-N 435.509 2.161 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(C4CCOCC4)C3)nnc12 669735914 PQVGIKGAOBIIIJ-UHFFFAOYSA-N 439.541 2.207 30 10 IEEE O=C1N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CC#Cc1ccc(Cl)cc1 674714952 LWEDTPUEJKLSFJ-HXUWFJFHSA-N 432.860 2.455 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccc(C)cc1 735069659 YYTPGSXIDSPLHT-UHFFFAOYSA-N 449.580 2.233 30 10 IEEE NS(=O)(=O)c1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)NC2=O)c1 743277685 SHUWVZDVVWKTSB-AWEZNQCLSA-N 438.918 2.235 30 10 IEEE COc1ccc(CNC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1C#N 746785781 UBAGPUWYMZKMKT-UHFFFAOYSA-N 426.448 2.139 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758050860 JGSVBHROVBVYLP-UHFFFAOYSA-N 429.885 2.223 30 10 IEEE C#CCN1CCC(C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)OC)CC1 759841010 UBHKDPAZXNLCBN-GOSISDBHSA-N 446.345 2.476 30 10 IEEE C#CCN(C(=O)c1cc(I)cc(C)c1C)[C@@H]1CCS(=O)(=O)C1 765009434 CXRQPHLOYXEZMI-CQSZACIVSA-N 431.295 2.171 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(F)cc1Br 767240866 LUAIXADKEALLIJ-JTQLQIEISA-N 444.731 2.053 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 769663292 NWVURGHVZNSSAQ-INIZCTEOSA-N 426.517 2.351 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 769720668 VHNNHJGHJSDWSE-JTQLQIEISA-N 436.262 2.488 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)n1 790105220 UJVKKVDVFKREGM-QHCPKHFHSA-N 436.556 2.491 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)n1 790105481 LGDGHBDBHDRWHR-UHFFFAOYSA-N 438.532 2.031 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(Br)n[nH]2)cc1 791325436 FOUOBDBELGYYBX-ZHZULCJRSA-N 426.296 2.237 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cccc(N3CCN(C)CC3)n2)C1=O 793985362 AKYPMVOOKVVNLV-QFIPXVFZSA-N 430.553 2.149 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 796098363 VRHZFVNIERYPOX-HNNXBMFYSA-N 427.448 2.230 30 10 IEEE C=C(COC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12)C(=O)OCC 811362914 JBYXRXCUUGEZQG-GMSFPVLESA-N 435.476 2.128 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812748244 LTAUXZWIXJLJIK-OALUTQOASA-N 431.445 2.378 30 10 IEEE CCc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(OC)c4c(c3)OCCO4)c2=O)c1 839361725 FKIAAZJVGDTWDU-UHFFFAOYSA-N 445.500 2.268 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856541357 DVGPRFRIKOWCCJ-YSIASYRMSA-N 435.528 2.181 30 10 IEEE C=CCNS(=O)(=O)c1ccc(Cc2nc(-c3cn(Cc4ccccc4)nn3)no2)s1 904773065 NWZYEXZTDNYPEU-UHFFFAOYSA-N 442.526 2.493 30 10 IEEE CSC[C@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1134507153 MZUPEKAAAWREHZ-HAGHYFMRSA-N 441.553 2.365 30 10 IEEE CCn1c(=O)c(=O)n(CCCCC2(C#N)CCC2)c2cc(S(=O)(=O)N(C)C)ccc21 1165239948 XFDMCCVZBODQCV-UHFFFAOYSA-N 432.546 2.298 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)CC1 1199351034 WBMWIZQDBAINIK-GHTZIAJQSA-N 448.589 2.399 30 10 IEEE N#Cc1cn(CCNC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c(=O)nc1O 1253092783 RZWZZFJYBUPJKJ-UHFFFAOYSA-N 429.321 2.173 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C)c(C#N)c3)CC2)cc1 1255195388 RHDMTNBIPCXDJP-UHFFFAOYSA-N 440.525 2.285 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCOC1 1286280161 UBCZFKLSPHYZOW-BFUOFWGJSA-N 435.322 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1286403366 ITKCIOTVTVXSFI-MHECFPHRSA-N 438.528 2.354 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1286437141 IHPJBIKDDUQMPX-QHCPKHFHSA-N 443.523 2.347 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2OCC[C@H]2C)CC1 1286484564 QWNHRTQNLYMYAA-DENIHFKCSA-N 439.560 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC=CCO2)CC1 1286494694 QFRCXLHLMCMUDM-IBGZPJMESA-N 425.558 2.241 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286612280 CBJHQOONTOEIIW-QUCCMNQESA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1286788930 KCJDONCGDVGLLZ-XMMPIXPASA-N 432.528 2.318 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286820853 TYGOGVBLOIBZPB-SFHVURJKSA-N 446.573 2.263 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1286970951 YOBNZDFODDUAJH-WBVHZDCISA-N 431.562 2.052 30 10 IEEE CCOc1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1296828782 CUNOGFLUROQJIE-REWPJTCUSA-N 441.532 2.494 30 10 IEEE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1297983977 HSKCHVPZEPNGFE-UHFFFAOYSA-N 428.500 2.379 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298595250 FKWUFOIBFUSONO-PERWBAPNSA-N 442.442 2.087 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccco1 1300284091 PJGOLHKHNGHWDR-BTYIYWSLSA-N 428.514 2.307 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC=CCC2)n1 1300681302 MCBHAZJPWZWNGG-ICSRJNTNSA-N 437.548 2.068 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@@H](C)C1 1300754043 GJHGGWSQGIXWFW-SFHVURJKSA-N 429.590 2.477 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 1300823733 JACPNNBZHNIPDT-UHFFFAOYSA-N 442.358 2.447 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300999859 HYHCJBPUILJXOD-QUCCMNQESA-N 425.533 2.473 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301061333 SLLRWGKISOYQDG-AHRSYUTCSA-N 426.945 2.455 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1301819335 UVDKXSXBDDYCHU-IBGZPJMESA-N 428.562 2.037 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)C1 1302979397 PUVOGELKTFKJCT-OXQOHEQNSA-N 435.500 2.394 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)cnn1CCC#N 1303806309 MXODAOCDBTWKDU-INIZCTEOSA-N 445.520 2.168 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)[C@@H]1CCC[C@H]1C#N 1307991730 AHIDSYPTMJHUAM-FXAWDEMLSA-N 447.605 2.490 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(C3(C)OCCO3)cc2)[C@H](C#N)C1 1312468334 DLQJNVYFWSJCDQ-SJLPKXTDSA-N 430.505 2.464 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ncnn1-c1ccccc1 1316101133 HKOCNBTVEIKYSV-SFHVURJKSA-N 436.520 2.168 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1353601479 VZGKXQNWRBMLJJ-MRXNPFEDSA-N 447.479 2.009 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(C(N)=O)CCOCC1 1358883353 SYLRYWUHMZDVKM-CQSZACIVSA-N 446.349 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCCC1=O 1358978716 SMJRUKXQNPGDKC-QFIPXVFZSA-N 431.540 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCN(C)C1 1359020678 MGCDAAGWUUUSSJ-XMMPIXPASA-N 425.577 2.395 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOCC)CC1 1359097787 UAXCXSIZEXNOHH-PZJWPPBQSA-N 428.581 2.423 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359104617 DJUDPHSTVFKJJE-MSYCTHLASA-N 447.580 2.002 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1nccs1 1359296856 WWFRSCDCCPOUJB-UHFFFAOYSA-N 428.518 2.357 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359311367 YVLIBWQDLGZCFN-HXUWFJFHSA-N 438.576 2.196 30 10 IEEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1360596723 FZSRKKWKMLBXLX-SFHVURJKSA-N 444.605 2.420 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Cc4c(C)cc(C#N)cc4C)CC3)C2=O)n(C)n1 1435862047 GXBWTYYOWZFEDU-QFIPXVFZSA-N 448.571 2.099 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1436301652 KTNJPQXZOYOACZ-UHFFFAOYSA-N 442.537 2.212 30 10 IEEE C#Cc1cccc(N(CC)CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 1459754531 RDHRDIOTMWBPPF-UHFFFAOYSA-N 447.507 2.306 30 10 IEEE O=C(N[C@H]1CCN(O)C1=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1468374147 SWSHCTVIZCGPEY-HNNXBMFYSA-N 444.900 2.107 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)c1ccc(Br)cc1 1468451315 PPYGAUYGCGAHAZ-WBVHZDCISA-N 443.301 2.430 30 10 IEEE CS(=O)(=O)CC1CCC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1470296270 GKMYIBPTNICHPO-UHFFFAOYSA-N 432.590 2.379 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)CC2)c1 1470671329 FZCLYEUWVCAKCB-UHFFFAOYSA-N 429.528 2.321 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1471431623 MZZQRUDOGVASEX-KRWDZBQOSA-N 437.562 2.468 30 10 IEEE CSCC[C@@H](NC(=O)c1ccco1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618466 VAWLUDBXLFFYBS-MRXNPFEDSA-N 445.497 2.035 30 10 IEEE COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1473824184 BCGQNDPBPPCADH-VCOUNFBDSA-N 431.558 2.009 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1478504661 PBVNUONUOZPMDS-KBMXLJTQSA-N 428.352 2.141 30 10 IEEE CN(C)C(=O)CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1503363306 XIHRMDMDOBLNAZ-UHFFFAOYSA-N 438.580 2.328 30 10 IEEE CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 1503612312 SMNPEKLGRGICTK-UYAOXDASSA-N 428.512 2.172 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCO[C@@H](C)C1 1504955642 YHYCWFAVHYYWLS-OALUTQOASA-N 434.585 2.243 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1 1507569666 HNPWJRJPXRCVJW-UHFFFAOYSA-N 447.587 2.295 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1507626721 BKTZXUMELKCRLH-HXUWFJFHSA-N 438.557 2.236 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCCC1 1507658050 AFGARLLWQWFPCC-UHFFFAOYSA-N 447.605 2.017 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1C(C)(C)C 1507694748 RJBZREFFPICZJW-UHFFFAOYSA-N 426.550 2.124 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CC2)CC1 1507739259 DCMTUNBIHCTRKN-UHFFFAOYSA-N 444.630 2.495 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(C)=O)nc1 1507985610 JYCRWNPEDWECEW-UHFFFAOYSA-N 425.518 2.294 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1508100761 OEOPEWXGBUZUKK-RTBURBONSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1508136855 WGWKQCHHJCOUAE-HUUCEWRRSA-N 435.506 2.068 30 10 IEEE CC(=O)c1cn(CC(=O)Oc2c(Br)cc(C#N)cc2Br)nn1 1526625980 DXZRDWWBWSJHCW-UHFFFAOYSA-N 428.040 2.483 30 10 IEEE CN(C)[C@H]1CCc2ccccc2N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1532153305 WTOBEIDOIOCPPS-IBGZPJMESA-N 426.542 2.402 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCc3c(CC#N)cccc3C2)C1=O 1534231777 AIOCYKIIAPZMAL-DEOSSOPVSA-N 432.480 2.113 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(=O)Nc4cc(F)c(F)cc43)C2=O)cc1 1535446586 UJKIIIGSHMSVKS-OAHLLOKOSA-N 439.378 2.027 30 10 IEEE N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1535597878 VSKJTKJIVLRWNE-LJQANCHMSA-N 426.454 2.209 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccn(CC)c1=O 1539010956 DAVUYXPYGSYPDH-GOSISDBHSA-N 446.559 2.140 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Br)n1 1539146145 ZIYZZGNNODGVQP-UHFFFAOYSA-N 426.278 2.201 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1539216968 YKAKLVPENJBCRV-KRWDZBQOSA-N 427.555 2.385 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1539218918 AJSKUYAVOMNHTE-ROUUACIJSA-N 434.587 2.103 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1539642802 SLRKZUCLHCJTJB-QTEQDKRBSA-N 433.597 2.442 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1540189280 OILQMRYOVRVWAM-JPYJTQIMSA-N 443.548 2.326 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1540891524 VZUHZENJLUIQPC-HBMCJLEFSA-N 433.597 2.310 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCOC)C1 1540892551 NLPPFJFCLAPSSG-MONBJTKQSA-N 444.532 2.359 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1540898899 YGMGQPYXLFWLGL-GOSISDBHSA-N 434.562 2.416 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1541117305 CVZKYQCZGNKNTA-MRXNPFEDSA-N 433.520 2.120 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccs2)C1 1541223342 QTQZMFRMAFAJAU-QLFBSQMISA-N 445.549 2.282 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCO[C@H](C)C2)n1 1543011079 BIUUPXYADPMFFT-FXAWDEMLSA-N 428.585 2.237 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1552922040 NXYFDCYJEYLFFV-DPPKGPFUSA-N 449.540 2.285 30 10 IEEE C#C[C@@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1560209292 LUSARVPACIQWRN-LJQANCHMSA-N 437.544 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCN1CCOC1=O 1565560659 HTIUCENBQPDNDU-GOSISDBHSA-N 428.489 2.351 30 10 IEEE CN(C)CCN(C[C@H]1CCCO1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1565650840 FTONFKHDOWOCMW-CXVUKDAWSA-N 434.581 2.342 30 10 IEEE CN1CCN([C@H]2CC[C@@H](NC(=O)COc3ccc(C#N)c(Br)c3)CC2)CC1 1567889009 ZZDRRYOPZUFMAI-CALCHBBNSA-N 435.366 2.374 30 10 IEEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CC(Nc3cccc(C#N)c3)C2)c(C)c1 1586074372 RPEKLMSWODUORO-UHFFFAOYSA-N 426.542 2.475 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCn2ncc(I)c21 1587390947 GJKABLFIYBQCKZ-HNNXBMFYSA-N 430.246 2.096 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1587562554 QOFNNNOTJAPQDZ-FMKPAKJESA-N 428.468 2.003 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CC(F)(F)F 1587620566 HTEHNWBHPYWSIO-CYBMUJFWSA-N 426.443 2.348 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)CN1CCN(CC)CC1 1587945646 NGGUVVSZLJEBDG-LJQANCHMSA-N 440.592 2.305 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588039911 GAHRNNVBYHKVKS-QUCCMNQESA-N 444.557 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1588228103 ATDDDPBXFYBPNY-RTWAWAEBSA-N 445.633 2.011 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1588914150 YCVPWZZJQLTDQO-HXUWFJFHSA-N 449.603 2.426 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589503470 DLWNIJWVANQWJS-LPHOPBHVSA-N 449.577 2.346 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1593827016 VFXRKFQHQWRGJY-ZFWWWQNUSA-N 447.923 2.438 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS1 1595283541 RPKFIFCFTOVDHI-SFHVURJKSA-N 426.550 2.455 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1595561762 BCQUZMFBLWEBOA-NRFANRHFSA-N 443.511 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](OC)C(C)(C)C1 1595777085 IJNMNTGNJWVCAO-GOSISDBHSA-N 448.545 2.136 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1595807550 HBIFRMGIMWLJPJ-HNNXBMFYSA-N 433.530 2.129 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1598194989 DUIPUVIEYRLIMC-NRFANRHFSA-N 431.562 2.496 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@@H]1CCOC1 1603553361 CEUOJDMNEYAFCB-KRWDZBQOSA-N 440.548 2.455 30 10 IEEE CC1(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1611517866 RAISHQJLRUCVPR-QGZVFWFLSA-N 439.965 2.090 30 10 IEEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)on1 1612646588 BJUWZIPWDORPJJ-QGZVFWFLSA-N 426.502 2.033 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC[C@@H]1C 1617370324 UWSUTOMAYGQWIE-HNNXBMFYSA-N 434.591 2.088 30 10 IEEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)C1 1618467108 QXSUKGYTGJDUMI-NRFANRHFSA-N 446.502 2.277 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1618865944 ADEYLBXJCBFOQR-LJQANCHMSA-N 425.489 2.012 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(OC)C2CC2)cc1 1619321975 CDMQASNCYUADGF-DENIHFKCSA-N 427.505 2.410 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1 1624846412 UNWLMUACXWPZHT-UHFFFAOYSA-N 432.523 2.058 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccc(OCc2ccccc2)cc1 1627898974 UDOWTDXWFMYTLT-OAQYLSRUSA-N 436.493 2.320 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N[C@@H](CC)CO)cc1 1630268772 HOZIMZQPDVLGOA-PKOBYXMFSA-N 431.533 2.361 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 1637559835 YWMKBVAYQMOEDQ-OAQYLSRUSA-N 446.525 2.382 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)c1cc2c(s1)CCCC2 1639757504 PBJCFENCRYAIGB-ZDUSSCGKSA-N 431.539 2.164 30 10 IEEE COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OC(F)F 1640925285 DZBPNODUOAPCCL-LLVKDONJSA-N 425.413 2.474 30 10 IEEE N#Cc1cn(CC(=O)NCc2ccc(OC(F)F)cc2)nc1I 1644033839 XYQQRMWRBQBUGQ-UHFFFAOYSA-N 432.168 2.277 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@@H]2NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 1647793209 JFHIWMGQKYTWSS-PMVMPFDFSA-N 438.551 2.269 30 10 IEEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)CC1 1654925991 QDMSYLJVDVVQJQ-HXUWFJFHSA-N 432.609 2.313 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1655391840 QHOBXXXFLRRYTI-CVEARBPZSA-N 436.983 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCO[C@@H](c4ccc(C#N)cc4)C3)OC2=O)C1 1656288943 IUYXFHHJUXSZJE-RTBURBONSA-N 427.501 2.484 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc(Cn2cncn2)cc1 1663627021 DBKNCSYICKQODP-UHFFFAOYSA-N 432.303 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1666276602 CTVYRQCNLZNWGS-UHFFFAOYSA-N 438.525 2.016 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](Cc3ccccc3)c3nccn3C)CC2)c1C#N 1686945492 WAFBUOJGZNZSNX-HXUWFJFHSA-N 432.532 2.149 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCOC1 1689831192 GWKXJTPKWHEGEX-RDJZCZTQSA-N 430.578 2.431 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(Cl)c1 1689966358 PSVIYKLGYQGSOP-ZDUSSCGKSA-N 426.901 2.121 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689985955 FVUNDUFZOMRMRW-ZWKOTPCHSA-N 444.557 2.007 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1690075919 XTCPXIWLUYKECS-ROUUACIJSA-N 433.553 2.268 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNC(=O)C(C)C)CC1 1690113774 UJUXSOSACJZUMU-UHFFFAOYSA-N 434.588 2.276 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1690245112 CVPWQMCXPRRGMU-BZSNNMDCSA-N 426.583 2.024 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C)C1 1690306513 WFZHLEVEGRJNNO-INIZCTEOSA-N 426.550 2.455 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1690545528 TVLTUJZHIPKCQP-HNNXBMFYSA-N 439.582 2.250 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CCOCC2)C1 1690665852 RMWXKNNMQTURMP-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1691085437 QJTSJKBTKLYZGN-LJQANCHMSA-N 444.605 2.456 30 10 IEEE C[C@@H]1CCCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)C1 1693681028 IPTJYRFXZKZBGV-GCJKJVERSA-N 431.560 2.468 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCn2ccnc21 1696902071 BBPOTQQUMWKIGO-APWZRJJASA-N 432.532 2.409 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC(=O)NCC1CC1 1705578744 DNTOEWNIPYJSHJ-UHFFFAOYSA-N 426.318 2.307 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN(C)CC(F)(F)F 1705616716 MOGFGVJIFXMJPM-UHFFFAOYSA-N 428.484 2.223 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)C1 1705703643 VQMUHUSMVYYXKU-QVKFZJNVSA-N 431.487 2.407 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705805128 ZRPXUPBDYHAOGD-QGZVFWFLSA-N 433.582 2.199 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705884121 GXHJKEFFPDCIAS-OALUTQOASA-N 437.610 2.389 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1705890898 OPQREJGSGJRDCN-OAHLLOKOSA-N 445.536 2.203 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(N(C)C(C)=O)CC1 1705899088 HUTAZYGUBHJREQ-UHFFFAOYSA-N 447.543 2.243 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1705905129 KKFXSJZTHYEPNF-UZUQRXQVSA-N 443.523 2.085 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705950351 YJYZFLSCLAUIKN-RXVVDRJESA-N 437.610 2.343 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1706075182 KOFAHEYQMOQDQU-MAUKXSAKSA-N 429.546 2.149 30 10 IEEE Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)no1 1707292673 MCDZJJDZIJBLNY-CQSZACIVSA-N 432.282 2.120 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1708153678 ZJKMXAHJTPPBAH-QFBILLFUSA-N 438.532 2.211 30 10 IEEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1709088513 CDTQHSZPTGLBNY-KQDGPHEJSA-N 434.516 2.307 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)cc1 1711748985 FJHWYQJCLWMNQY-UHFFFAOYSA-N 432.550 2.021 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCOC(F)F)CC1 1722434474 SOUVLCZCFFDYDO-UHFFFAOYSA-N 435.475 2.347 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722701409 PCOVVPFICLDTDN-KRWDZBQOSA-N 425.562 2.350 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722706826 ZAKBHSOHKAWSAX-JXFKEZNVSA-N 441.532 2.172 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1722738756 OSONWFMYWBCIPW-MRXNPFEDSA-N 426.608 2.106 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1728120351 CDQZHXVEDKHRFF-AZUAARDMSA-N 442.589 2.172 30 10 IEEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1730486234 IBYRFMFCLUCDKZ-INIZCTEOSA-N 439.495 2.307 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)(F)F 1740536438 GULMSWPCIMZSNR-SECBINFHSA-N 433.232 2.172 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)no1 1740537898 IZJOFAFPTIFOSH-AWEZNQCLSA-N 427.534 2.349 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC[C@H]2COCCO2)c1 1740563328 SITZVJCBPDYKIA-IBGZPJMESA-N 434.500 2.135 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740592575 ZQLWCFQSOPGJNL-OTWHNJEPSA-N 435.594 2.183 30 10 IEEE C#CCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740596390 DIOGNRAJRNYYIK-QHCPKHFHSA-N 444.580 2.116 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1740625245 DWUYEYOWVYWYOG-IBGZPJMESA-N 430.574 2.034 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740713491 GDUZXPOLLZOCHB-IBGZPJMESA-N 435.557 2.223 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740746006 BVHFWWBUEMCIKE-OAHLLOKOSA-N 444.399 2.144 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](OCCOC)C1 1740813886 NRFXEDGBBZDWGS-AWEZNQCLSA-N 425.942 2.264 30 10 IEEE C=CCCOCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1740888704 RUDZWZZYCXIOAX-ICSRJNTNSA-N 432.613 2.157 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)COCCO1 1740929956 LCNZOUFXTDHCCU-NRFANRHFSA-N 446.577 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740956890 UNFRKRGQQDLPDL-UHFFFAOYSA-N 445.955 2.037 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740959947 HSZRUZVRLWHECF-SLFFLAALSA-N 430.597 2.175 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1740975626 CSUHVILMMUHXGG-UXHICEINSA-N 427.597 2.328 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1741698947 JFAVBMQDDPJZLC-UHFFFAOYSA-N 438.532 2.463 30 10 IEEE C[C@@H](c1ccccc1)N(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1741786882 QBTMZSONYNQHBA-HZSHHLKBSA-N 446.515 2.402 30 10 IEEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1742482645 JRAQGALCPLIUEL-LSDHQDQOSA-N 429.484 2.500 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748731448 DCBPCGRZPMWRME-IRXDYDNUSA-N 449.552 2.441 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1748815008 MRYISVAKWJMTDM-INIZCTEOSA-N 431.587 2.171 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1748815010 MRYISVAKWJMTDM-MRXNPFEDSA-N 431.587 2.171 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(F)c1)N(C)C 1748900603 HIUHQBGWAMEZCE-OAQYLSRUSA-N 436.535 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC1(N2CCOCC2)CC1 1748902468 GJWCTHUSFPESDB-UHFFFAOYSA-N 437.519 2.324 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](OC)C2CC2)CC1 1749010237 IXQYVDDDJKMFBE-NRFANRHFSA-N 437.544 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 1749123884 JAEIIJUQFYSHKD-WMZOPIPTSA-N 445.955 2.436 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1760125551 QWQMUEHTUWMUEC-GJZGRUSLSA-N 442.545 2.025 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1Cc1nnnn1CC1CC1 1760168951 VXECZPUIRLWWHY-UHFFFAOYSA-N 427.310 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1760204191 HJYUYVUXQHSNIS-UHFFFAOYSA-N 430.487 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760215069 NOVYEIUCPCKQBK-SFHVURJKSA-N 426.542 2.241 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1760256958 MDWOJMPVXKLUJS-HFMPRLQTSA-N 445.608 2.137 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C)[C@@H](C)CC)CC1 1760264369 KMUZQMLZRIGFLL-IBGZPJMESA-N 428.556 2.482 30 10 IEEE C#CCSCCn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760286860 XHTABUAGFMOFMT-IPJJNNNSSA-N 433.622 2.358 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1760294133 OAUBYKIKIBJLHQ-OPAMFIHVSA-N 430.553 2.478 30 10 IEEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)C(C)C 1761108395 FQTQCBPZIWYNRB-UHFFFAOYSA-N 440.548 2.458 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1767827353 CNBUCDFNUWYIPS-FQEVSTJZSA-N 438.580 2.254 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCC(C)C)CCO1 1769243731 WADQZKZMTCBWJS-SFHVURJKSA-N 428.562 2.157 30 10 IEEE CO[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1770651952 RIHISCZYSJTUSG-OQLSDQBISA-N 442.564 2.398 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1771169193 SPNVJAODNCCLJF-KRWDZBQOSA-N 429.521 2.052 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(C4CCC4)n3CC(=O)NCC(F)F)CCO2)c1 1771531728 AFCRSZFJRHSJCZ-QGZVFWFLSA-N 430.459 2.376 30 10 IEEE C[C@@H](Oc1cccc2c(O)nccc12)C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851249281 CZYUVPXNXBGITL-QGZVFWFLSA-N 447.495 2.340 30 10 IEEE CN(C)C=NC(=S)N(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 1851980916 BKWHHCHVGDRTJI-UHFFFAOYSA-N 430.983 2.219 30 10 IEEE CCN1C(=O)CN(CC(=O)Nc2nncc(-c3ccc(Br)cc3)c2C#N)C1=O 1852103909 BBUJNFRXRRZXNY-UHFFFAOYSA-N 443.261 2.000 30 10 IEEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1=O)CC2 1855100792 QNKZEWMGGFSIPT-YJBOKZPZSA-N 449.960 2.257 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(C(=O)OC)cc1 1864731688 IDWSFZRNESVCDC-GFCCVEGCSA-N 436.390 2.222 30 10 IEEE CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2)c(C#N)c1C 1866202891 CGWGMYPSIPBKGJ-ZBFHGGJFSA-N 427.482 2.319 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867175224 FDEQUJOJBXJLSY-LJQANCHMSA-N 430.468 2.085 30 10 IEEE Cc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1C 1870150536 FPXNIPAAWKJLAQ-MRXNPFEDSA-N 444.451 2.446 30 10 IEEE Cc1nc(C2=C(N)N(Cc3ccc(C(=O)OC(C)C)cc3)CC2=O)sc1C(=O)N(C)C 1872724544 KVDYHYMXANFADS-UHFFFAOYSA-N 442.541 2.431 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc(OC)c1O 1874506335 YEPSUNYMJDAOLB-FSJBWODESA-N 441.513 2.429 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2010149946 FSBWPZBDYJFZJX-ZACQAIPSSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)Nc1snnc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060639040 DIOPZBFESXAQFI-UHFFFAOYSA-N 448.314 2.227 30 10 IEEE CCN(CCS(C)(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116138933 SLYDZJCKSQQFIN-UHFFFAOYSA-N 433.177 2.014 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124536003 YQPFISNOQKUBEM-ZIACGZRISA-N 444.341 2.408 30 10 IEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2219846802 FSWPOQADRBYKJH-SFHVURJKSA-N 438.532 2.327 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)C1 2247541451 CTSALRMCXHBCBF-BISSLNBESA-N 430.501 2.469 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255617974 FXNMRCDZGBUNNI-CQSZACIVSA-N 434.346 2.084 30 10 IEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255646296 NIULIQRIXMEGLQ-NHAGDIPZSA-N 449.382 2.380 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255695279 CNBHDOWOFQOOKH-HNNXBMFYSA-N 433.358 2.311 30 10 IEEE C=C(CS(=O)(=O)NC1(CN)CCN(Cc2ccccc2)CC1)B1OC(C)(C)C(C)(C)O1 2255795996 KWFIIGPGAJVFPS-UHFFFAOYSA-N 449.426 2.087 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255838101 AGGNOKBYGIOFPT-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256606322 RZPDFJWQGAGMOI-HNNXBMFYSA-N 434.342 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256624996 QHWMNDXBEPKKMY-NVXWUHKLSA-N 435.374 2.422 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256626647 MMVZJXOMRWFUSV-WBMJQRKESA-N 438.305 2.338 30 10 IEEE C#CC1CC(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)(C(=O)O)C1 2256705123 UZKURLHIDPUFDB-UHFFFAOYSA-N 442.512 2.423 30 10 IEEE Cc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143592 KGOYSEWBLISHCQ-APWZRJJASA-N 438.381 2.278 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1 2267154195 VSLUBEUFHJHWQT-QZTJIDSGSA-N 436.365 2.062 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267197149 JHUWOEXCXPHORA-HOTGVXAUSA-N 446.357 2.036 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267273424 MWTDUHVMQMDPTD-STQMWFEESA-N 441.259 2.052 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267493109 GPZAHVDGKZIAMN-HZPDHXFCSA-N 448.373 2.237 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(Cc1ccccc1)C2 2267529394 LEZINBVTLCXAQQ-UUOWRZLLSA-N 436.365 2.207 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2267600831 MSRZWEGHZBGIGC-CMJOXMDJSA-N 445.369 2.454 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267602590 OWCNKZUMIXMMFL-MAUKXSAKSA-N 445.369 2.406 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268631042 SCIBULIKRNKLJY-GJZGRUSLSA-N 447.341 2.201 30 10 IEEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)c(OC)c1 2293031544 RQNDZTMJJNEHHY-UHFFFAOYSA-N 440.496 2.136 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300340363 RMTCUTUXVSZXGM-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CO[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H]1NC(=O)OC(C)(C)C 2322309528 TXVZOCWXCBRUNW-HZPDHXFCSA-N 437.321 2.248 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc(O)c1 2331310813 KXIMFQSCKGAYHH-UHFFFAOYSA-N 425.514 2.463 30 10 IEEE COc1[nH]c(=NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339790306 KPGVPRAHRHERCK-INMHGKMJSA-N 445.369 2.479 30 10 IEEE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)NC1CCCC1 20916168 RHVOCEJTOZROMU-SSDVNMTOSA-N 425.518 2.448 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)ccc1O 58995091 JIFFGRUZQFDREA-WSDLNYQXSA-N 426.502 2.416 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)cn1 59831680 KYHUFXRREHENPF-AWQFTUOYSA-N 439.505 2.322 30 10 IEEE N#Cc1cccnc1N1CCCN(c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 301094396 MJAHZLIGCYHHCD-UHFFFAOYSA-N 426.908 2.191 30 10 IEEE CCOC(=O)[C@](C)(NCC(=O)Nc1sccc1C#N)c1ccc(S(C)(=O)=O)cc1 430291553 UZWNYHYCNJQEAI-LJQANCHMSA-N 435.527 2.030 30 10 IEEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(F)cc1 466554076 ZAMGWZBISCBXFV-IBGZPJMESA-N 446.504 2.101 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)cc1 488224245 VEFHJQGBJDJANM-SFHVURJKSA-N 449.529 2.444 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 501856709 OZOKNXWXUBQTMJ-HXUWFJFHSA-N 433.555 2.051 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 509657389 XYBOPVOHEFFUCK-UHFFFAOYSA-N 437.518 2.002 30 10 IEEE CC(C)(CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)N1CCS(=O)CC1 541102303 ZXSMQHMMYULRIU-UHFFFAOYSA-N 434.953 2.362 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)ccc21 545371356 FRXOTHCGWSQJBM-UHFFFAOYSA-N 449.486 2.284 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(CCc4ccco4)n3C[C@@H]3CCCO3)CC2)c1 559104269 WNZYNOLGTRYYDZ-FQEVSTJZSA-N 433.516 2.429 30 10 IEEE CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 564171924 ZMIAIUJHOATLKZ-HNNXBMFYSA-N 445.549 2.053 30 10 IEEE COc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2)c1=O 590898401 FHADZUIJUAMCOK-UHFFFAOYSA-N 445.544 2.469 30 10 IEEE Cc1ccc([C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)N2CCOCC2)cc1 604102112 LEEYSDPAGGNKRN-JOCHJYFZSA-N 434.544 2.167 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1cc(OC)c(Br)cc1Br 683018311 PQFGZCLOWXYABU-UHFFFAOYSA-N 436.100 2.478 30 10 IEEE N#CCCCOc1cccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c1 726783266 ASIOUVHKWKFOOX-UHFFFAOYSA-N 437.484 2.480 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(C)c2)cn1 730144623 OYWQVQHLYJXANG-LJQANCHMSA-N 442.589 2.411 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)C2CCOCC2)n(-c2ccc(F)cc2)c1C 740972184 IFRFMCAHHYLOEW-HXUWFJFHSA-N 429.448 2.374 30 10 IEEE COc1ccc(COC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1C#N 746990951 BKRHLMIPPHWLDU-UHFFFAOYSA-N 439.287 2.351 30 10 IEEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)cc1C#N 747431964 LRNBLLQOKHSSHJ-UHFFFAOYSA-N 448.570 2.461 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(F)c(Cl)c3)c2=O)cn1 748064688 ZBGBJRWQKVGQAQ-UHFFFAOYSA-N 442.903 2.297 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 750300109 DAEBJGCEBZVZQO-NSHDSACASA-N 439.852 2.199 30 10 IEEE CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2cccc(C#N)c2)ccc1Cl 750433384 ZTEYTYXSIQVERZ-UHFFFAOYSA-N 435.889 2.186 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 757211370 SVRHMMLVHRWTBB-SJORKVTESA-N 443.552 2.358 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCS2)C1=O 757371330 NMANKGVLYZQQRV-WMZOPIPTSA-N 445.614 2.453 30 10 IEEE CC(=NNC(=S)NC[C@H]1CCCO1)c1cc2c(cc1Br)NC(=O)CO2 767366403 FUTZDPNXDGUTDQ-SNVBAGLBSA-N 427.324 2.147 30 10 IEEE Cn1cc(N2CCC[C@H](ON=C(N)c3ccc(CNC(=O)OC(C)(C)C)cc3)C2=O)cn1 769841497 HBEZCEQWKKXJHY-SFHVURJKSA-N 442.520 2.277 30 10 IEEE COc1ccc(C#N)cc1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 772246200 QKJPIDQKXCYDNY-UHFFFAOYSA-N 430.482 2.253 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)s1 777178148 UWVILFQRCNXTPI-UHFFFAOYSA-N 432.523 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)Cc3cccc(C#N)c3)C2)C(=O)C1 777204235 MIBZEJXBIOWCMX-LJQANCHMSA-N 426.517 2.171 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3ccc(OC)c(C#N)c3)CC2)cc1 778392567 YJOFFUJMKBQNAB-MDZDMXLPSA-N 434.496 2.097 30 10 IEEE COC(=O)c1cncc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)c1 788653154 ZHNWFGKHQZKVJO-UHFFFAOYSA-N 427.232 2.279 30 10 IEEE CN1CCN(S(=O)(=O)c2cccnc2NN=C2COCc3cccc(Cl)c32)CC1 794513976 DZUITUSRMMVOOH-UHFFFAOYSA-N 435.937 2.018 30 10 IEEE C=CCNC(=O)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 799967698 LOMDHATUCKFTDO-KRWDZBQOSA-N 432.521 2.301 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 800772335 AGUHAFVPQNIFPV-CABCVRRESA-N 427.509 2.461 30 10 IEEE Cc1nc(SCC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C#N)c(C)c1C 801469680 VFVLHYAPJFRBCE-DOTOQJQBSA-N 434.562 2.315 30 10 IEEE CCN1C(=O)c2ccc(C(=O)N(C)CCOCc3ccc(C#N)cc3)cc2S1(=O)=O 809357570 BQRGMHUSIZTAHG-UHFFFAOYSA-N 427.482 2.011 30 10 IEEE C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1143727255 UUUAQOXXLGVXLG-XLIONFOSSA-N 430.549 2.461 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1154555414 ATNXONFPSGSKMC-SJORKVTESA-N 447.598 2.498 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1190420216 HTPIVJIAUMTSRL-QWHCGFSZSA-N 436.347 2.055 30 10 IEEE C=CCC1(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CCOCC1 1192285714 HWRZIEZIBDXLDA-OALUTQOASA-N 438.546 2.067 30 10 IEEE C#CCN(CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1)CC(=O)OC(C)(C)C 1195876362 IPBXCLNDKCMWDA-UHFFFAOYSA-N 440.500 2.264 30 10 IEEE COC(=O)C1CC2(C1)CN(C(=O)NCc1nc(C#N)cs1)C[C@@H]2C(=O)OC(C)(C)C 1251295473 GRCCRJKAWLXHFF-HHGQXBFMSA-N 434.518 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCS1(=O)=O 1286290162 QSCSMFZVENDGMQ-INIZCTEOSA-N 440.529 2.094 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CC(F)(F)CO2)CC1 1286483785 YTMYKKORLMBFIC-LJQANCHMSA-N 431.487 2.079 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286554460 HKWKHYSULHCYQK-ZJOUEHCJSA-N 431.581 2.458 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1286635033 IDESJTJFMJPLDI-OXJNMPFZSA-N 425.961 2.424 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1286722069 BUEJUEITVQCTNJ-PMERELPUSA-N 428.562 2.456 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1286722095 CVRPJXANMVHEIH-UHFFFAOYSA-N 438.532 2.227 30 10 IEEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1286739066 NVWATDGFBLIGQY-RDJZCZTQSA-N 426.583 2.370 30 10 IEEE C=CCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@]1(OC(C)C)CCOC1 1286778175 SYNPUAHYLOPJBM-QHCPKHFHSA-N 439.516 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(F)F 1286816165 GFXANCQUQQMVHV-UHFFFAOYSA-N 442.488 2.409 30 10 IEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286835084 NWKLFKHWILONPW-MRXNPFEDSA-N 432.525 2.129 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC(C)(C)O1 1291217469 BYCSYDMCTSDPSE-MRXNPFEDSA-N 438.532 2.103 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)OC 1293990310 AKBXZVMXELNVOC-MJGOQNOKSA-N 440.504 2.185 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@](C)(C(N)=O)c3ccccc3)C2)C1 1294686185 HUSKJYTTYPJIEU-SCMYPZHISA-N 426.517 2.290 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CC1 1296124391 HACYCJDRPBWCIO-SIKLNZKXSA-N 437.592 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1300319312 AWCOXHOVPOFPNM-INIZCTEOSA-N 431.924 2.217 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300353388 JQNDLMPTDHOWHL-UHFFFAOYSA-N 437.592 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1)N1CCOCC1 1300527235 UVMYGQHPAQGKME-QHCPKHFHSA-N 428.540 2.430 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1300970665 ZVEANMMJWQRVHU-WMZHIEFXSA-N 446.596 2.477 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2cc[nH]n2)CC1 1301069322 CKKVNKIHFZLFBM-UHFFFAOYSA-N 445.325 2.345 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)c1 1301402997 XUCNOGULKNZGKU-UHFFFAOYSA-N 446.529 2.124 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N(CCO)Cc1ccc(OC)cc1OC 1301454109 KYSLNPRFRRJODN-UHFFFAOYSA-N 441.488 2.208 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1 1301515681 XTJWUIXYMNTZGZ-HOTGVXAUSA-N 431.562 2.498 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301604635 XPDURFCMENSYMJ-UHFFFAOYSA-N 438.623 2.111 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1301969533 YMRQGCFUKPKHML-IXDOHACOSA-N 444.502 2.421 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c(OC)c1 1303386395 YXEYBUOSWYRLDD-AABGKKOBSA-N 430.545 2.461 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1)c1cc[nH]n1 1303965520 RLFIUMBEIDWTBZ-UHFFFAOYSA-N 427.383 2.417 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1304002328 PJSDERHKYWHRKC-DLRJPAPCSA-N 439.578 2.247 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1305151083 WFFORPTWNZACAZ-KNQAVFIVSA-N 437.592 2.314 30 10 IEEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1311592629 FSVSYSMDQFAJOH-QHCPKHFHSA-N 434.544 2.167 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c(-c2cnn(C)c2)nnc1N(CCC#N)CC1CC1 1314745865 CMDUOQXGYJXKRD-UHFFFAOYSA-N 432.532 2.467 30 10 IEEE COCCN(CCC#N)c1nnc(C2CCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1316100880 CAJVPKXZNCWROK-NRFANRHFSA-N 434.610 2.120 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1CC1 1316204903 BASHXNWZIGJNHS-KRWDZBQOSA-N 425.537 2.395 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC2(CCOCC2)C1 1358919207 VUOZRMIVXKTAPD-UHFFFAOYSA-N 426.546 2.441 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1358931644 IKVACACPMNORAZ-QHCPKHFHSA-N 443.555 2.026 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358935024 UCCCUHXWABBCMJ-SFHVURJKSA-N 445.589 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1358985170 RILSHBLYTVOAOE-OAHLLOKOSA-N 449.577 2.261 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCOCC(F)(F)C(F)F 1359007778 VSGXHMXYASBUTB-UHFFFAOYSA-N 431.390 2.382 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359083040 AMOZUGRUJSAHKN-HOTGVXAUSA-N 428.375 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359098305 ZRDCJVBOOJFHOV-QRVBRYPASA-N 438.594 2.167 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359100845 GXEITVCDDKLUHQ-NFBKMPQASA-N 444.624 2.202 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359129226 VROCAQUIIJIXED-GOSISDBHSA-N 449.577 2.444 30 10 IEEE C[C@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 1437905189 VSYZVMQWAGFPCQ-JOCHJYFZSA-N 446.573 2.074 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1453118983 KAFJNSXACOQYOX-UHFFFAOYSA-N 438.622 2.294 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)nn1 1454241292 KOEYHGCQCOGAJP-UHFFFAOYSA-N 439.520 2.391 30 10 IEEE Cc1c(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cnn1CCC#N 1459938395 AELLERYECQAPPD-UHFFFAOYSA-N 430.317 2.120 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c1 1465651821 AFGNFCWRJCCGIV-CYBMUJFWSA-N 436.486 2.298 30 10 IEEE COC(=O)[C@H](CNC(=O)c1nc(O)c(C#N)cc1C)Oc1ccc(Br)cc1 1467919005 HJNFKGNBEPQYHJ-AWEZNQCLSA-N 434.246 2.080 30 10 IEEE CCc1ccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1468578618 JEAYQFWTEDVBFG-GOSISDBHSA-N 429.498 2.070 30 10 IEEE CC(C)(CCC#N)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1468681227 ILWLANZIRMBRPZ-OWCLPIDISA-N 427.567 2.103 30 10 IEEE N#CC[C@@]1(O)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1469404720 HLQUJAXATIILMI-KBXCAEBGSA-N 425.272 2.075 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](CN3CCOCC3)C2)cc1C 1470687637 YKRMBECULKCXNO-NRFANRHFSA-N 437.544 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)nn2)CC1 1471132015 HSDRMHNSJJNZLP-ZWKOTPCHSA-N 443.552 2.053 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1Br 1472739802 LTWVEOWMQILQQO-CYBMUJFWSA-N 432.315 2.091 30 10 IEEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)cc1 1477761883 DRIVHCRHKWZINR-HXUWFJFHSA-N 429.498 2.276 30 10 IEEE CCOCCn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503211746 WIMJALBGYVMLBY-INIZCTEOSA-N 438.561 2.344 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCSC2)CC1=O 1504898861 BJRIXKFBWJSRLQ-IEBWSBKVSA-N 440.573 2.253 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)CC1 1505143997 HGTTXNOWWOVMFJ-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507536402 BXZNFFVDDSNRMN-AKHDSKFASA-N 435.638 2.395 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507571024 OHRDGZBCRXLPTR-SFHVURJKSA-N 427.530 2.156 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccccc1)N(C)C 1507652810 LHZHKRWDPOZFPP-HXUWFJFHSA-N 430.512 2.382 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1507702123 GREBQXOPGAVVEI-FQEVSTJZSA-N 438.576 2.226 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1507783687 HLRFLQCGKCVBJA-UHFFFAOYSA-N 440.367 2.244 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1507842599 CIUHGBTUNIJPSE-KRWDZBQOSA-N 445.955 2.197 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1)C1CC1 1507992538 FSBQLNLRCRTGOO-INIZCTEOSA-N 427.546 2.048 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)OC)C1 1508117904 PGNKGIZSSVUEFR-INIZCTEOSA-N 448.593 2.445 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1508811009 HFFPMEASAITTRA-UHFFFAOYSA-N 439.564 2.187 30 10 IEEE Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)cnn1C 1510463700 UIQRFNXICDUPOI-UHFFFAOYSA-N 444.499 2.405 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCS1 1514176332 AQHWJSGYVCVJGY-MOPGFXCFSA-N 429.546 2.476 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)n1 1515221639 YQZWXFYSJMLDCW-LBPRGKRZSA-N 445.501 2.423 30 10 IEEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1517213462 BHMMJUNVAXOVAH-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1518509433 HQHCOUPPBFRTPI-KRWDZBQOSA-N 445.545 2.040 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC[C@H]2CCCO2)CCO1 1521136114 BWIOEQQEDSRTBE-NHCUHLMSSA-N 425.533 2.378 30 10 IEEE Cc1oc(C#N)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1527985739 SWBIYDSJKFNJSU-UONOGXRCSA-N 429.395 2.453 30 10 IEEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1C#N 1534428901 ZHPTUWSFMLINHY-IBGZPJMESA-N 444.329 2.353 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCOC(F)(F)C(F)(F)F)C2=O)cc1 1537021514 PCTIMTAVVTZGPO-LBPRGKRZSA-N 434.321 2.051 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1539284971 WTPIDNCGBZUNRU-IPMKNSEASA-N 432.590 2.237 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539372313 USZPZMRXWUTARE-PMACEKPBSA-N 436.539 2.070 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC2CCCC2)nc1 1539412680 CBBGXUDLPMTVSQ-LJQANCHMSA-N 438.532 2.080 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1539557096 LLJMOUBATAEIBJ-XMSQKQJNSA-N 428.558 2.420 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1539602934 DNIMOFGLUCUFAD-HNNXBMFYSA-N 428.294 2.154 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1539643131 LCVSRRGEFZJMIP-VWPQPMDRSA-N 441.580 2.226 30 10 IEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C1CCOCC1 1539807143 GHYOTZXLSFQXMJ-NRFANRHFSA-N 434.558 2.031 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540898257 DWJWMPNNFYDLNE-KRWDZBQOSA-N 449.964 2.010 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1CCOCC1 1540900364 SLADQPLKGVTMCF-UHFFFAOYSA-N 439.969 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](OCC2CC2)C1 1540901038 QXASWFAWUXEMBY-SFHVURJKSA-N 431.562 2.336 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN3CCOC3=O)cc2)s1 1542165100 OGYPMRXMJHWXNO-UHFFFAOYSA-N 435.527 2.346 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)s1 1546261261 YKORVPBWMMSSQY-HNNXBMFYSA-N 441.619 2.154 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCCO)CC1 1555991660 YYKZMLQCBCVIQU-FQEVSTJZSA-N 439.564 2.318 30 10 IEEE CC(C)CC(=O)N1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1560087562 HFEYOJFNNPPAQV-LJQANCHMSA-N 431.606 2.037 30 10 IEEE CN1CCC(C#N)(NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1584987363 ZKZSLCZEOMMJMO-SFHVURJKSA-N 441.532 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1587562142 LSWVDAQXMZDVGI-GJZGRUSLSA-N 439.969 2.421 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(CC2)c2ccccc21 1588985869 XDNGMAHPCTZRHY-HNNXBMFYSA-N 431.587 2.438 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCOC 1589504720 JBUIATIDLPJTMS-UYAOXDASSA-N 438.536 2.375 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 1594937860 DYHSZOINRXCUHU-SFHVURJKSA-N 431.445 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595523109 PUIBQWUTIINBPD-AOMKIAJQSA-N 429.496 2.161 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)[C@H](C)C1 1596249927 MTHYEDPTSHIFKN-OAHLLOKOSA-N 448.474 2.415 30 10 IEEE C=CCN(C(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1597171031 SNZWVBWVOSQALL-CABCVRRESA-N 438.550 2.058 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1597337086 NEWRWZORCASHHS-SFHVURJKSA-N 426.521 2.121 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCC(F)F 1613314816 MMQAPCKVRAXBAK-AWEZNQCLSA-N 436.511 2.314 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@@H]1C 1616484788 AKOOCFLKUIIECB-OALUTQOASA-N 440.548 2.469 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ccc(C(N)=O)nc1 1616980907 OPQWLARTAJRSFF-MOPGFXCFSA-N 431.500 2.100 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1619195252 ITDZCBMDOWDMPW-CQSZACIVSA-N 436.472 2.177 30 10 IEEE COCC[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619799602 NCXUGQKAWBLMFN-QQMHEVNUSA-N 440.504 2.236 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CCCCCCO)c1 1620349126 LSGUAMMXCBFCQO-FQEVSTJZSA-N 437.548 2.410 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2noc(-c3ccccc3C)n2)s1 1622476270 JREULZWXTKJJJO-UHFFFAOYSA-N 432.527 2.430 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1631074879 XOVASLYKXWXCIK-RISCZKNCSA-N 436.308 2.367 30 10 IEEE Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OCCCCCO 1632853354 BWPFZKYHJIGGAD-UHFFFAOYSA-N 431.514 2.214 30 10 IEEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1c1cnn(C)c1 1633154173 XSTNVWHRIZJSNY-NJDAHSKKSA-N 431.452 2.213 30 10 IEEE C#CCn1cc(CNC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)cn1 1634636911 VLUCANJKSAFURU-UHFFFAOYSA-N 434.949 2.467 30 10 IEEE C=CCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)o1)[C@H](Cc1ccccc1)C(=O)OCC 1638617725 PEHRVDSZTLXHEF-CQSZACIVSA-N 440.905 2.383 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1640219844 ZHOLUFIPZJJGOJ-LJQANCHMSA-N 428.514 2.091 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)CCc3ccc(OC)cc3)CC2)c1 1641624649 IZLCGNOWTCSSDI-UHFFFAOYSA-N 448.523 2.102 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CC[C@H](Oc4cnccn4)CC3)C2=O)cc1 1643437206 QYIPCXMESFLFRI-BHIYHBOVSA-N 448.483 2.060 30 10 IEEE CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1C(C)(C)C 1643637434 SVBBTAINKOPXDO-IBGZPJMESA-N 440.548 2.117 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN([S@@](C)(=N)=O)CC2)n(Cc2ccccc2)c1C 1648250298 LMRYVYFSADYDAP-SSEXGKCCSA-N 428.562 2.173 30 10 IEEE C=CCOc1c(Br)cc(CNCCn2cc(C(=O)OC)nn2)cc1OC 1651070560 CHSLLEUEKHWZEP-UHFFFAOYSA-N 425.283 2.190 30 10 IEEE Cc1c(S(=O)(=O)N2CCC(N(C)S(C)(=O)=O)CC2)sc2ccc(C#N)cc12 1661070085 GQEYNIATRZSICY-UHFFFAOYSA-N 427.573 2.126 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 1668748291 HLQODYKPDVIZHJ-OAQYLSRUSA-N 444.467 2.376 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1675315949 UAVWBXOKHIMWSB-FQEVSTJZSA-N 428.533 2.447 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCCO1 1680314780 WZMBMIULFQNLNP-ZVZYQTTQSA-N 425.323 2.089 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1681080602 BEIDMHGGRGFNPF-MSOLQXFVSA-N 445.520 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1689835888 UNIOVGZVNYRBHQ-WMZOPIPTSA-N 443.573 2.065 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1689875399 QUTIIMQUURKLKN-HNNXBMFYSA-N 446.533 2.163 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689989313 DBUJVSFSBWOECE-MOPGFXCFSA-N 438.594 2.209 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1C 1690101431 ZYBCVEAOAHZVLJ-SJORKVTESA-N 436.516 2.353 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CCO[C@H]2C2CC2)CC1 1690110567 QVLWTVCBXZLNFR-RDPSFJRHSA-N 442.608 2.157 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCOC2CCOCC2)CC1 1690131078 TWJCKYXMLUCECU-UHFFFAOYSA-N 429.590 2.271 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1690243825 QANRVFDAPSTSDE-RTBURBONSA-N 425.537 2.173 30 10 IEEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690287581 IUDLQFOSFHNGRC-NHCUHLMSSA-N 432.613 2.327 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1690449552 KJRACALZEHKCPU-UHFFFAOYSA-N 430.597 2.419 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cnccn1 1690675995 MFMQWPMCTBVRCH-UHFFFAOYSA-N 427.896 2.239 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCn2cccn2)cc1 1690678185 NQGBXGQVZRXVML-UHFFFAOYSA-N 435.532 2.460 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690717533 IYRPOAJJONAJFM-GOSISDBHSA-N 429.546 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC(C#N)CC1 1690729302 LFVBROZTGNKDBI-UHFFFAOYSA-N 445.545 2.206 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1690917811 MSISJBJTUSCXOF-SFHVURJKSA-N 445.483 2.347 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1691011295 VRHOEBFBQLSRLT-NXOAAHMSSA-N 434.541 2.060 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1692237597 ABVCZWAAQHDESW-IRLDBZIGSA-N 437.592 2.416 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1693845527 BIKAEHXJXGYRNW-QRQLOZEOSA-N 438.532 2.103 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 1695900096 IUUPUPAYWOEOIC-WOJBJXKFSA-N 437.592 2.458 30 10 IEEE CO[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1697143582 DUJIBHVSZSNQJA-ZWKOTPCHSA-N 433.472 2.042 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)CC1 1697707720 FOLHSGYWAOGXEF-UHFFFAOYSA-N 436.438 2.454 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1705559846 GKDRCXZDMZXGLW-LJQANCHMSA-N 442.585 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NCC 1705597391 DIRFHXXACLGRAS-FQEVSTJZSA-N 435.528 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCc1ccc(S(C)(=O)=O)cc1 1705626322 RBWHLSPJYNYLOF-UHFFFAOYSA-N 441.557 2.016 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1705629141 YEGMHSIUDAYBLL-SJORKVTESA-N 426.517 2.248 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1705644768 BMTHSKMRZHVUBB-UHFFFAOYSA-N 437.548 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSC(C)C)CC1 1705645256 PDBMXAPQJIXNJX-JOCHJYFZSA-N 449.621 2.038 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](OCCOC)C1 1705657030 QLJHISCHLYOONL-SFHVURJKSA-N 444.557 2.324 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705661892 LALIENULUVTDAP-VQIMIIECSA-N 441.557 2.119 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCC2=O)CC1 1705664655 XAVFFPNYMYTRHU-UHFFFAOYSA-N 441.605 2.097 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705902807 JTLUMBJCKYXMHZ-RBUKOAKNSA-N 427.553 2.129 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)C1 1705928822 IDIRIQDZRVJKBS-LJQANCHMSA-N 438.532 2.211 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(F)F)C1 1705937817 FVXXEAANZJSVGZ-INIZCTEOSA-N 442.536 2.222 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1706079293 HZAJHJMUTFMTFL-GFCCVEGCSA-N 428.390 2.271 30 10 IEEE CC(C)(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706153804 YSHGIUTZWDSZGM-GOSISDBHSA-N 441.605 2.412 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1712616452 ZLMSQXLAUYPMNO-UHFFFAOYSA-N 439.438 2.373 30 10 IEEE CON(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1712656181 VCINARAXEKVMGA-RDCVWBNRSA-N 430.440 2.081 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722277842 NWPJFSQVGZZTLW-QZTJIDSGSA-N 447.543 2.288 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNC(C)=O 1722295126 JBIKPGYCMSLYPO-INIZCTEOSA-N 432.569 2.377 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)N1CCOCC1 1722348210 YQUHTJNBZCLAKU-UHFFFAOYSA-N 441.532 2.059 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1722359821 WCJXNSYCFDDWOA-HMFYCAOWSA-N 434.606 2.408 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCC1 1722423763 NZKWAJHKFXKDGB-UHFFFAOYSA-N 438.561 2.293 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](F)COC 1722664420 ZGIQEQTYYFQUPN-HUUCEWRRSA-N 428.555 2.419 30 10 IEEE CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1723111253 MJKWOHGAAHNACP-ROUUACIJSA-N 445.955 2.079 30 10 IEEE CC(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723417877 OJBQBAHYDIIANH-FQEVSTJZSA-N 439.564 2.438 30 10 IEEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1723837358 DZWLKAOQUKILLL-DENIHFKCSA-N 437.592 2.316 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCC(C)CC2)cs1 1725416256 VRSCLJADCUTKAL-VQIMIIECSA-N 429.594 2.483 30 10 IEEE CN(C)CCCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1729335276 JWWCIXZYTGPMRU-OAQYLSRUSA-N 447.543 2.448 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1730481489 PZZXHLVVFZKLOE-DENIHFKCSA-N 439.495 2.287 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc([C@H](C)O)cc1 1740645152 ABLFIFNQVAOHIX-SFHVURJKSA-N 428.496 2.490 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H]2COCCO2)CC1 1740689645 CCMXYHIGDIZTRK-RBUKOAKNSA-N 443.523 2.118 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1740763799 QELLKHRZLYJXGG-UGKGYDQZSA-N 431.581 2.287 30 10 IEEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1740824239 XRZMJLKXZXWHML-UHFFFAOYSA-N 428.518 2.185 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1 1740914452 RWCDCOSGRIXGQI-UHFFFAOYSA-N 438.532 2.022 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2ccnc2)c1 1741134642 FOVDKHBKDWYNOQ-GOSISDBHSA-N 432.532 2.289 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748817900 SFRCDNUKTITTFS-GOSISDBHSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCN1CCOC[C@H]1C 1748902611 HKNWDJIPCPGNKC-HXUWFJFHSA-N 437.544 2.049 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCC1 1748956728 HXMJWPASQWEISI-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749255516 ADYUFYLFEJQCGE-ZDUSSCGKSA-N 435.912 2.390 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749280273 GBUHXUHRMXJJHO-AWEZNQCLSA-N 428.942 2.488 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1 1749397008 MPPZLQLQWOWSMN-UHFFFAOYSA-N 436.607 2.163 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749671748 HRAXKRXCEADRAJ-SFHVURJKSA-N 444.967 2.320 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749736295 HQKXCFWQPOMVLF-RBUKOAKNSA-N 448.564 2.472 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cccnn2)CC1 1749760948 SAQPGUVPNDGMHN-UHFFFAOYSA-N 442.593 2.191 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2([S@](C)=O)CC2)CCOC1 1751018324 MLYDUEIVNMRCIE-JRPXNJEYSA-N 435.594 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCC1 1760102678 OMHNNYZILAOHRL-QGZVFWFLSA-N 445.589 2.470 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1760110180 AURBYFPZSRVXOV-JKSUJKDBSA-N 426.546 2.308 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 1760136816 CEBDQKAXMSXWGN-LJQANCHMSA-N 435.594 2.183 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 1760186851 RESFNGVDBCWVMF-NUJGCVRESA-N 428.558 2.400 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1760189029 FTHHQLDQSDUEIP-SFHVURJKSA-N 445.614 2.413 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)CCC(C)C)CC1 1760263400 ZRGAZCCAFRPNPH-RUZDIDTESA-N 449.603 2.459 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1760272147 AGYKFCGWIVJOEX-HKUYNNGSSA-N 430.622 2.236 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)C1 1760274006 FIVWUSJTQQQBBC-WMZOPIPTSA-N 433.603 2.249 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncn(C)n1 1760288891 CFFWFVNVKQFUAA-JOCHJYFZSA-N 437.504 2.140 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1760294282 SNJVJERGKKVFRI-NTKDMRAZSA-N 436.560 2.210 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1760381391 KHWJBVBBJJRCOE-OAQYLSRUSA-N 431.924 2.169 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760433664 KMDFWPMRCNYKLU-QGZVFWFLSA-N 439.476 2.292 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C)(C#N)CC1 1760556761 PEMGRSDJBMHINN-UHFFFAOYSA-N 434.591 2.365 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1760564881 JTEGQJIOILYXIZ-GOSISDBHSA-N 428.562 2.181 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1760695203 CPUSCAIKSMJHFX-BRWVUGGUSA-N 429.546 2.342 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1761362196 APVREKRGIKDHDD-RYUDHWBXSA-N 425.502 2.214 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1761370459 BPEPUERDBDBOKW-QMHKHESXSA-N 440.548 2.370 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCOCC1 1763654627 IVGQFWGJMDKMHS-JKSUJKDBSA-N 425.537 2.047 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1763721549 ANXUTMRGHFHXAR-XXBNENTESA-N 437.548 2.408 30 10 IEEE CCc1ccc(-c2nnc(N3C[C@@H](O)[C@H](CC(=O)OC)C3)n2Cc2ccc(C#N)o2)cc1 1764492838 MLWTWWWLZDMNTH-YLJYHZDGSA-N 435.484 2.381 30 10 IEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CCC1 1770474949 HYYMQTQNVZGQEV-UHFFFAOYSA-N 449.602 2.495 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1(C)C 1771112043 DVEBYFABUZIIEX-HZPDHXFCSA-N 441.623 2.078 30 10 IEEE C#CCN(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)[C@H]1CCc2ccccc21 1851654583 ZURFKRVYZSKFCT-BJKOFHAPSA-N 436.577 2.477 30 10 IEEE O=C1C[C@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1CCc1ccccc1 1851940589 KHOHMPUKOBWCEY-HNNXBMFYSA-N 445.463 2.338 30 10 IEEE O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851946005 LSBFQHZQNFMRHH-VIFPVBQESA-N 439.362 2.188 30 10 IEEE CN(CCN1CCCC1)C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1852281173 IORGDQXFUQDCTB-QFIPXVFZSA-N 440.569 2.002 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cccc(Cl)c4)n3[nH]2)CC1=O 1852330706 LKELFCZHVLMBKE-UONOGXRCSA-N 440.891 2.313 30 10 IEEE N#Cc1c(NC(=O)CN2CCN(Cc3nnc4n3CCCC4)CC2)sc2c1CCCC2 1852722647 DCWYANPGVRVSPY-UHFFFAOYSA-N 439.589 2.183 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)nc3ccccc23)C(=O)C12CCCC2 1854421283 LDMHJFJEMOPSKE-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2cncn2C)CC1 1854424907 CXLJXLQRJLXGLB-UHFFFAOYSA-N 428.514 2.271 30 10 IEEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](CN2CCC3(CC2)C[C@H]3C#N)CCC1=O 1857295747 WCJZKRBQEKARJE-SJORKVTESA-N 429.542 2.095 30 10 IEEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(c2ccccc2F)CC1 1858111386 MRSWOTDLJHTOBG-MRXNPFEDSA-N 430.505 2.424 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861505025 MGUQWGOFGVAKDB-HXUWFJFHSA-N 437.471 2.473 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(CO)CC2)=C(N)Oc2c1c(C)nn2C 1865228112 XAIJLMIHMXFAPX-FQEVSTJZSA-N 438.528 2.219 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2cc(F)ccc2F)CC1 1866869338 ZVTHOWNJOYWYPC-ROUUACIJSA-N 448.495 2.419 30 10 IEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccccc2)cc1=O 1871008992 YBUDZOFDOPOSFD-UHFFFAOYSA-N 437.521 2.363 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN2CCC(C#N)CC2)c1C 1890551166 QHFRDZDFJWBDDQ-NRFANRHFSA-N 446.617 2.425 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1909081253 IBGCOQCHKPWHKL-IGMOGCDKSA-N 439.553 2.475 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128731860 ZUZBTXDPOJXJIK-KRWDZBQOSA-N 448.369 2.266 30 10 IEEE Cc1ccc(C#CCO)c(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2145938590 NBFCPCHRDIAOMQ-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CO 2224102752 PMDBCNHDWUUXAB-RDJZCZTQSA-N 433.358 2.093 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2247777661 PVBXYOABVKBHJY-GFCCVEGCSA-N 439.343 2.113 30 10 IEEE CC(C)(C)OC(=O)NCCOCCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413331 VNANUUZISOLNPP-UHFFFAOYSA-N 441.359 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H]1CCO 2254803147 QXINUUDXPXWHOC-QGZVFWFLSA-N 433.358 2.189 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255650914 FXUPOQBZDHKBRG-LBPRGKRZSA-N 430.232 2.252 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2255873395 KVFWXZKETFCTLN-KOMQPUFPSA-N 433.358 2.357 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2266984887 YQVXVBPQHBVOBH-LJQANCHMSA-N 444.234 2.408 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1 2267232176 NTNFECKONFZQHO-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267536230 BBTAHFZTCAEYSW-JKSUJKDBSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(C)(C)O 2268654585 BGPSBOAHZNIFQQ-JOCHJYFZSA-N 449.357 2.374 30 10 IEEE CO[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2268702659 WMMAYNOUWIMORM-KRWDZBQOSA-N 447.341 2.201 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268717086 QSTXODBHIVBGIJ-CVEARBPZSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2269760396 AXVYOXVHENVBCO-OAHLLOKOSA-N 447.341 2.345 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298376795 OUDORZGPSCODDR-PMPSAXMXSA-N 442.387 2.491 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCOCCCNC(=O)OC(C)(C)C)[nH]1 2315393651 HOJRAGFUYPKFCG-UHFFFAOYSA-N 435.374 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315646496 UUVJKVZLNJFMOV-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2334263057 GPPJVOXMKWEZDZ-FQLMCAECSA-N 446.357 2.131 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2337298674 JLCKTPVZVOQRJW-ZIAGYGMSSA-N 448.373 2.141 30 10 IEEE CCCc1nn(C)c2c(=O)[nH]c(-c3csc(S(=O)(=O)/N=C(\O)OC(C)C)c3)nc12 71261519 CFAWPSNYQNHAST-UHFFFAOYSA-N 439.519 2.365 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1Cl 97024934 SABPXDRYVINHHV-GOSISDBHSA-N 432.952 2.466 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C3CCC3)c2=O)c1 430990972 PSNZZKRQPNBPHB-UHFFFAOYSA-N 446.532 2.489 30 10 IEEE COc1ccc([C@@H]2NC(=O)N([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)c(OC)c1 431631107 BFQBXMKZNISQIP-QUCCMNQESA-N 434.452 2.364 30 10 IEEE Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 431989510 BWPFTBLFVWOSQQ-UHFFFAOYSA-N 440.887 2.208 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ncc(Br)cn1 432994391 GNSPANYTNGFFAM-ZFWWWQNUSA-N 449.378 2.360 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](C)C1 440580840 QZYJADVOCWRFDR-OAHLLOKOSA-N 438.459 2.294 30 10 IEEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Oc1ccccc1F 466160607 BIYZDUQIFWZYTQ-MRXNPFEDSA-N 446.504 2.181 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2)c1=O 478736676 KGEWFFITQUWGEX-UHFFFAOYSA-N 433.508 2.382 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 480320642 RXCLCWDZOPUQMQ-KRWDZBQOSA-N 444.513 2.168 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCOCC2)c2ccccc21 481443404 XZXPIACIADMVMD-MRXNPFEDSA-N 425.510 2.320 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(c2nc3ccccc3s2)C1 482809383 MZLBVMQADCBFAP-ZDUSSCGKSA-N 426.523 2.461 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 508867112 OIUPJVQOGWMQRK-UHFFFAOYSA-N 444.605 2.277 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1C 508911582 IWSNZHZFAPLULX-LJQANCHMSA-N 449.577 2.011 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2C)nn1 511761327 LQOMJKWQQQPKLM-LJQANCHMSA-N 431.500 2.220 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2)nc1 511943078 QPWQAODSBMJBCM-KKXNLOMOSA-N 439.491 2.426 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cc1C 517988893 SISOGZVXXNLWCD-UHFFFAOYSA-N 445.544 2.306 30 10 IEEE Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1S(C)(=O)=O 534777339 LHBBRCQIYCGUCA-KRWDZBQOSA-N 440.481 2.114 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 539764418 ABGIUUJCAMIMAK-LEWJYISDSA-N 435.576 2.343 30 10 IEEE COc1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2)ncn1 555396520 VNHSGHKHQDHYMK-IBGZPJMESA-N 446.515 2.121 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 559001855 LDEWNSOAKFDBHT-SFHVURJKSA-N 427.553 2.439 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 570367552 SMFPILNXTILIRU-LJQANCHMSA-N 429.546 2.145 30 10 IEEE Cn1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCOC2)c2ccccc2c1=O 571348463 UAUJEGXWNXOHEP-INIZCTEOSA-N 433.516 2.359 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(CN3CCOCC3)cn2)CC1 577548062 PYKYPRBVKVGYPV-UHFFFAOYSA-N 442.523 2.296 30 10 IEEE C=CCOc1cc(NCC(=O)c2ccc3c(c2)N(CC=C)C(=O)CO3)ccc1-n1cnnn1 586270311 SJKCYJUBSXLKJF-UHFFFAOYSA-N 446.467 2.433 30 10 IEEE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862830 CWHGFJBBZJAOOE-NRFANRHFSA-N 428.508 2.343 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC(F)(c3ccccc3F)C2)n1 590277293 COJSCJREOCYIRW-UHFFFAOYSA-N 425.370 2.668 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 679530101 BBDZGIDLMGTUPB-UHFFFAOYSA-N 438.452 2.196 30 10 IEEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1O 732649214 QWXOFSAIEPVSQE-SFHVURJKSA-N 444.491 2.309 30 10 IEEE Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)s2)c(C)c1 732909798 FXFMRKVWEKHEPJ-MRXNPFEDSA-N 431.539 2.315 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c1 734293207 OJAHZEVQMMPUCP-UHFFFAOYSA-N 449.554 2.324 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 734668244 CSUJHKLVUUGXCQ-MGPWXQLLSA-N 437.422 2.110 30 10 IEEE CN1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CCC1=O 738903230 LQKZGCGIIWKOLE-PDNPPFGYSA-N 435.550 2.022 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCN1C1CC1 751068615 RYKYCQMRSQDXMK-HNNXBMFYSA-N 432.527 2.067 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2cnc[nH]2)CC1 751399103 XDPHBPRYHRFBPC-UHFFFAOYSA-N 429.546 2.415 30 10 IEEE CC(C)CN(C(=O)COC(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H]1CCS(=O)(=O)C1 758115043 IESVKOFFECVVLP-HNNXBMFYSA-N 446.447 2.406 30 10 IEEE Cc1ccc(-c2nnc(COC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)o2)cc1 767680976 OOACNTPVVKWXFK-CQSZACIVSA-N 426.454 2.327 30 10 IEEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 774187194 DPGLJOZNWJRVGC-MRXNPFEDSA-N 427.567 2.046 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774261612 BNMLSHAFVXDSEJ-FCEWJHQRSA-N 441.956 2.304 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 781661019 LZIUJFVMENJHDR-UHFFFAOYSA-N 438.578 2.183 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)n1 788815504 PJMUOBPWBYUFDI-UHFFFAOYSA-N 429.498 2.096 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)CCN1C1CC1 789490418 CCICWHVJFJNYQF-INIZCTEOSA-N 427.411 2.289 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CO)CC2(CCC2)C1 790088343 DVEOMMFWDFHHMX-QGZVFWFLSA-N 433.574 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(F)c3)n2C[C@@H]2CCOC2)CC1 812385648 ZFYHONAQSRGVFI-KRWDZBQOSA-N 425.508 2.395 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cscc1C#N 814614332 YBFASSDIDUHNBH-LLVKDONJSA-N 437.499 2.063 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)c1O 1083897070 YVWUJGWHKZZFHG-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE COc1cc(NS(=O)(=O)c2ccc(N=Cc3ccc(O)cc3O)cc2)nc(OC)n1 1084096946 UEULYOUJCRKYQB-UHFFFAOYSA-N 430.442 2.456 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccccc3)n2N)cc1 1084114699 WHPJNGBBXQXIBV-UHFFFAOYSA-N 439.501 2.345 30 10 IEEE COc1cccc(NC(=O)CCSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c1 1084419606 NLIZGRXTPPGENW-UHFFFAOYSA-N 443.537 2.345 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)cc1 1084559307 OHXDPOJLDTVAJB-UHFFFAOYSA-N 426.502 2.416 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 1132853306 QCKDTXLKVAFPAI-SFHVURJKSA-N 427.526 2.495 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1143458507 OZDVKJCPUIEIFX-ZVLZEYJHSA-N 429.565 2.466 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@H](C)O1 1144783589 YBDLKUMLWSWAQL-JVPBZIDWSA-N 443.500 2.181 30 10 IEEE C[C@H]1CN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCO1 1154162344 LFPRNCITJNUMSB-QTSFNNJRSA-N 434.581 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4cc(C#N)ccc4[N+](=O)[O-])C3)[C@@H]2C1 1163978897 FYTVYUSIMWNPDY-OLMNPRSZSA-N 443.460 2.485 30 10 IEEE N#CCSCC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1282233808 NFEGYOQYIXETIP-KSIVUZQRSA-N 425.554 2.167 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286286805 ALKOBMZPRPYPNZ-YLJYHZDGSA-N 426.540 2.485 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1OC 1286302114 KELHEYNEKMEGOM-AWEZNQCLSA-N 441.561 2.080 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)CC)c1 1286310367 VCHOMXJWQYLCNB-UHFFFAOYSA-N 445.527 2.183 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1286377619 ZOLIMOSFOPGEKW-QGZVFWFLSA-N 442.520 2.108 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286565101 OQEABASCAFRUAD-REWPJTCUSA-N 444.624 2.202 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1286750657 FGWGRDCJDXAMBT-YPAWHYETSA-N 444.624 2.001 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 1286784312 DINISQJMZKWMQE-UHFFFAOYSA-N 440.445 2.461 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286788095 PYICSCXHSNSNBW-FXAWDEMLSA-N 441.532 2.488 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1286802828 AJEGRUTWIUIKMQ-HXUWFJFHSA-N 435.532 2.210 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)C1 1286810620 UBFSBSLBIJFDDF-CVEARBPZSA-N 426.608 2.247 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1286966084 PRCGYOKEVMXDQA-VLIAUNLRSA-N 431.566 2.039 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1286970806 FAUBVQPRTQMIBX-YQVWRLOYSA-N 432.569 2.041 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(Cl)cc1 1288825592 IAGQCJWSXJTZLM-ACJLOTCBSA-N 440.932 2.226 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](OC)c1ccccc1 1292133270 HOQZBMCRJFANQE-OALUTQOASA-N 426.521 2.313 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 1294007490 FURJIDHZNMSWRV-HZPDHXFCSA-N 438.550 2.105 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCO[C@H]1C(C)C 1297287656 HAWBOFRYDXAGSW-FPOVZHCZSA-N 439.564 2.469 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c(CC3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1299295312 DLBPQITYOXSWPG-NRFANRHFSA-N 446.552 2.409 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 1299955797 QJYFDZLZMWTHAW-HSQYWUDLSA-N 441.553 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCN(C)C1 1300287070 SUYPRNAQHGBPNW-ORAYPTAESA-N 436.329 2.371 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1300306994 BCMPSRKNPSYYIR-OLZOCXBDSA-N 442.463 2.427 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C 1300412186 YRVKFVCPRZTRQQ-UHFFFAOYSA-N 438.580 2.216 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)COC 1300537969 MIDIPJLHUVDYFP-GOSISDBHSA-N 445.564 2.332 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1CCOCC1 1300890655 VXDOCTHEHKNJQT-SIKLNZKXSA-N 426.565 2.014 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301033430 ILFDGZNUZJVUNI-MGPUTAFESA-N 443.983 2.390 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301186377 XHFCBWHJPCAURM-INIZCTEOSA-N 435.532 2.215 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1301289368 CLCHTLCYVHJBKQ-KRWDZBQOSA-N 437.548 2.453 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1301422281 FQCAZUBWNDYOJJ-UHFFFAOYSA-N 448.531 2.096 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301492905 RFHIIFYVYWBKKF-ROUUACIJSA-N 441.532 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301492906 RFHIIFYVYWBKKF-ZWKOTPCHSA-N 441.532 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N2CCCCC2=O)CC1 1301568655 IQMCOWHFOOJBHW-QGZVFWFLSA-N 437.610 2.374 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@H]1C 1301891513 OYCQCRFIJXEUQS-MRXNPFEDSA-N 434.491 2.255 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC(C)(C)C1 1302051487 GLWFVYMPPAHYCL-XMSQKQJNSA-N 434.585 2.243 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1303939440 FMGAKXXOFLLQPJ-NRFANRHFSA-N 431.541 2.055 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNc2nc3ncccc3cc2C#N)C1 1307204706 AXNVJCYXPZHLED-INIZCTEOSA-N 431.518 2.338 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccsc1)N(C)C 1316212721 XQAVDBPQABINFA-KBAYOESNSA-N 434.566 2.095 30 10 IEEE C#CCN(CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)[C@@H]1CCS(=O)(=O)C1 1340926662 BFYZNCZZXVBEJT-CQSZACIVSA-N 428.539 2.352 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C1 1343394857 SCUOBTXPQNTRCW-QGZVFWFLSA-N 432.525 2.343 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(C)cc(C#N)cc1C 1350382393 ABCHNZQDYYBALT-UHFFFAOYSA-N 429.498 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358894368 NEAVZPGTDGUBMR-HOJAQTOUSA-N 436.539 2.068 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(C2CC2)C1 1358938391 ZZZQRBQSBMWVAJ-KRWDZBQOSA-N 426.952 2.415 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOCC1CC1 1358939889 IOYMUTFOQOKZBU-UHFFFAOYSA-N 430.578 2.433 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H](C)C1 1358992105 ZZXFRFFXJUALJD-RTBURBONSA-N 444.539 2.470 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)N(C)C)CC1 1359037029 RUZDRAPHYKHSLO-HXUWFJFHSA-N 435.601 2.384 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1359057724 HBOKMNGLDTYPDX-GOSISDBHSA-N 443.529 2.045 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1359095905 UGLRTXGIGULHFB-DYESRHJHSA-N 443.523 2.360 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1359132359 VOVKQXOMVFAKGN-PMACEKPBSA-N 441.532 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359294855 HFZZBJJKBXGUOY-INIZCTEOSA-N 428.537 2.280 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359299285 BDDAZSSXVOWEDM-UHFFFAOYSA-N 429.594 2.325 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)n1 1436120694 NHGNQIUDJWGBKV-QGZVFWFLSA-N 445.317 2.380 30 10 IEEE C#CCN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1470865989 ZCGFIJJKOWSSOW-HXUWFJFHSA-N 434.581 2.284 30 10 IEEE Cc1csc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N 1476558588 CZKASVAVQSFZBS-UHFFFAOYSA-N 448.526 2.238 30 10 IEEE C#CC1(O)CCN(C(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 1478385186 AJCDBWGFSOATDK-QGZVFWFLSA-N 434.334 2.423 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 1478396918 NJGWPMFEJCRTBH-MAUKXSAKSA-N 433.350 2.260 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1494878617 HBUFQPPOKHCFIP-ONGXBYRLSA-N 439.499 2.160 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1501092793 GHYXJSFIGIGKSC-CYFREDJKSA-N 449.559 2.038 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC)CC1 1503274182 VXAIGWWDCUJDIV-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1507539862 CWOYYAAZZQKVAS-LSJZCYCUSA-N 443.511 2.335 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507629660 OERZXQJVQNBAMZ-AZUAARDMSA-N 429.590 2.302 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1507667581 OVZDZQJLEWFSKD-UHFFFAOYSA-N 443.555 2.053 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507713944 CPANCCWUFHBJNB-OFNKIYASSA-N 444.507 2.420 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CC1 1507723848 WMRABIGRCYVNCB-SFHVURJKSA-N 446.477 2.246 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1507754245 MFVLHLDPWBRMRT-KRWDZBQOSA-N 440.573 2.287 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1507952728 XUGKYQLKUPZSGB-UHFFFAOYSA-N 426.569 2.490 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)C1 1508109839 VLDRXVJHKXFILJ-RBUKOAKNSA-N 430.597 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCSC1 1508135155 FCESNBSRGCUGEH-OAHLLOKOSA-N 436.559 2.216 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(CC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1511936384 BFTSQHGICOCEDP-FMQUCBEESA-N 427.509 2.244 30 10 IEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1515558614 OQYORCCUKODMGN-VQTJNVASSA-N 439.539 2.338 30 10 IEEE CN(Cc1cc(Cl)ccn1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1517098215 SWCHYSSFEOKLJM-UHFFFAOYSA-N 445.936 2.051 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1519922489 GCMOOWCSNXRNAA-UHFFFAOYSA-N 446.602 2.184 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)cc1 1526380278 QYBDGNZNJNXJDR-QGZVFWFLSA-N 438.480 2.394 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nn(C)cc1I 1532945271 HVXNTFIWJDJFSR-UHFFFAOYSA-N 449.256 2.127 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)cc1OC 1538122728 GMAIFEFSHVUHPW-MRXNPFEDSA-N 449.451 2.065 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@H](C)CCC 1539003297 NOENQSUHCGDLRB-IAGOWNOFSA-N 449.559 2.202 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCC[C@@H]1C 1539153703 IYJYMUXPEZXLJQ-BTYIYWSLSA-N 430.578 2.167 30 10 IEEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539413380 IFXCEPQJDOKZCP-GBESFXJTSA-N 445.564 2.266 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1539452371 QODVDOOZTSJYBQ-LJQANCHMSA-N 425.581 2.023 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1539467224 PKQMRZPAEBUMTE-AUSIDOKSSA-N 429.565 2.096 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539615741 LCHOXIZPMOUMQV-TZIWHRDSSA-N 432.613 2.373 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1539721759 GJDIYAPZQCYOEQ-UHFFFAOYSA-N 443.470 2.455 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1539985759 QAFXIZWHLSJWGL-SJORKVTESA-N 432.502 2.429 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1)C1CC1 1540113970 FWBYAEMWOFQEGN-UHFFFAOYSA-N 432.619 2.473 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1540134334 VCSWVRQPAPLAAU-LJQANCHMSA-N 445.589 2.241 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1540869809 XIRKZALBHRCZSC-SJORKVTESA-N 449.559 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccs1 1540896012 DMBMHHFSLFPIEL-HNNXBMFYSA-N 437.591 2.374 30 10 IEEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1541288652 JUYSVQYRSVDISW-HXUWFJFHSA-N 437.548 2.100 30 10 IEEE CCc1ccc([C@H](C#N)NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1544874667 JNIZTDUSPGNLFC-KGVIQGDOSA-N 447.557 2.212 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1547633297 UTVXIHDQZNGDNL-QFBILLFUSA-N 436.520 2.250 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1552683016 GDZXJBICDZCSFM-KRWDZBQOSA-N 435.488 2.197 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(SC)c2)CC1 1554494240 BLVAVJGSBXECLY-UHFFFAOYSA-N 448.556 2.443 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1555938339 CHYBEDMMZQNJJT-NRFANRHFSA-N 429.546 2.478 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643206 PJSDERHKYWHRKC-NWZZKEMCSA-N 439.578 2.247 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Sc3ccccc3)c2)CC1 1563076391 HVSALNLFCFQUFM-UHFFFAOYSA-N 430.555 2.455 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1587631405 CMBOKGUHZMZMKJ-NZSAHSFTSA-N 447.580 2.390 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1587754980 PQJTURDGEXTINN-UHFFFAOYSA-N 426.521 2.162 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)Cc2cccc(F)c2)CC1 1588742146 OHJXKQMLTDUETG-GOSISDBHSA-N 426.540 2.045 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1588848950 RWNATFCTYJADCJ-QFIPXVFZSA-N 441.551 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCOCC2CCOCC2)CC1 1588884735 LXKQDXMTZFPZRQ-UHFFFAOYSA-N 431.581 2.201 30 10 IEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1594626851 PQZLZKJOJXSYFC-RBUKOAKNSA-N 427.505 2.098 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCOC2)C1 1595679833 CFKZBMQEZMSARG-JKSBSHDWSA-N 432.496 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccccc2)C1 1595784539 IOPUWWHCNUZNFF-LJQANCHMSA-N 427.530 2.452 30 10 IEEE COc1ccc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CCO2)cc1 1595818354 RLJIWMNYGQHPSV-HXUWFJFHSA-N 429.498 2.101 30 10 IEEE Cn1cc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)cn1 1618409111 RHDLMGOPWGQDPB-MRXNPFEDSA-N 427.459 2.242 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1619878240 FOICYNASRUREAP-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1624532291 CWVKYWTXPDVEFJ-FYYLOGMGSA-N 432.524 2.237 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)s1 1625639785 NGQMUABPRFVVCB-UHFFFAOYSA-N 446.554 2.266 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCNC(=O)c3cccs3)C2)C1 1631840116 KAQXGOBUQNKESF-FAGJFJLWSA-N 432.546 2.381 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1=O 1632333817 VBKMVNXLDMYDLQ-UHFFFAOYSA-N 440.475 2.163 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1636626479 CEDWNRKZFWUCJS-FUHWJXTLSA-N 446.525 2.150 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)C(=O)OC 1637696851 JVTWHNPRVWOIEI-MRXNPFEDSA-N 436.873 2.141 30 10 IEEE CN1CC[C@@H](CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1639645417 PPOHLWJXAFRRHC-UZLBHIALSA-N 426.517 2.377 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(C(N)=O)(N2CCCCC2)CC1 1648175962 DFVNCGUCZCIMIS-IBGZPJMESA-N 441.576 2.136 30 10 IEEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1648293705 QGNLFJSXUGWGTB-XJKSGUPXSA-N 447.605 2.312 30 10 IEEE CS(=O)(=O)[C@@H]1CN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C[C@H]1C(F)(F)F 1659409553 WVMZQFPYZFJBFD-WOSRLPQWSA-N 438.431 2.131 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1667736240 ACJAZADBDCLCLK-IBGZPJMESA-N 447.495 2.242 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1672738952 POZZCDNOFDEUMQ-HSZRJFAPSA-N 440.588 2.230 30 10 IEEE COc1ncc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)cc1C#N 1680425764 DCJNRAPWTJKGCX-OAHLLOKOSA-N 430.262 2.429 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 1683109594 FEPFGSZFNHUTQQ-JOCHJYFZSA-N 429.590 2.034 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1683289468 WOACQWSVTVMUNL-DBAFAGGRSA-N 434.558 2.372 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689988322 MRZSHSHEEYGOJD-UYAOXDASSA-N 433.622 2.150 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1689996024 CGWYTPSETHLYNT-JENIJYKNSA-N 432.521 2.323 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690082511 DSPSMSSZWIPRTC-KRWDZBQOSA-N 432.569 2.363 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CC=CCC1 1690082654 JYKGOOCERBJGQC-UHFFFAOYSA-N 447.631 2.364 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1690114651 BXVGIZADVAQIAS-MHECFPHRSA-N 439.560 2.269 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CC)C1 1690170443 ISTIJUMCSCQIJP-INIZCTEOSA-N 438.557 2.174 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1690410637 SFMRTROHWBBVTI-IBGZPJMESA-N 440.523 2.130 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)nc2)C1 1690697514 WVYXMNJXWZENFU-ROUUACIJSA-N 426.521 2.241 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2[C@@H]2C[C@H]2CF)c1 1696622248 ZYENEBRFHWWGNT-FUHWJXTLSA-N 432.525 2.466 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1697778210 WYGAXQMWUTYPPA-GOSISDBHSA-N 443.527 2.431 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705489180 KPPGQKQDQINBDY-GOSISDBHSA-N 433.560 2.142 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](OC)C(C)C)c1 1705505368 MSPHIRDHEDNMER-HXUWFJFHSA-N 433.516 2.462 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)C1 1705653230 CHHTVGFGHDASTQ-QGZVFWFLSA-N 443.573 2.462 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1OC 1705667432 LQTYVTILAYAFTF-HSZRJFAPSA-N 441.532 2.483 30 10 IEEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705839362 XVFRSBRMKSFSKW-MRXNPFEDSA-N 426.546 2.397 30 10 IEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)cc1 1706100140 GHFLGCNKULWKEY-UXHICEINSA-N 441.532 2.299 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1706189398 DIJZYGQZALEDRX-HKBQPEDESA-N 445.589 2.485 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)coc2C)CC1 1712102832 HJVNDVILLFDOGO-UHFFFAOYSA-N 434.500 2.370 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)CCO1 1712302782 AMPQUYRGWQAJGU-HLAWJBBLSA-N 441.532 2.395 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1C[C@@H]1C 1712557508 SFENXTVWNHDTGZ-YQVWRLOYSA-N 425.537 2.251 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCc1cnn(C)c1 1712636005 ZOIBHGGALIIRDD-OALUTQOASA-N 427.553 2.498 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1NC(=O)CC1(C)C 1722277234 HYYVNAQAXSLVFR-SWLSCSKDSA-N 433.354 2.419 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722364114 XJTUIAXLWKIFSE-GOSISDBHSA-N 426.498 2.222 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCOC2)CC1 1722429540 NBBMXQHDEHEUIT-HXUWFJFHSA-N 436.560 2.329 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(F)(F)C1(OC)CCOCC1 1722466139 JVBZPKISRPNUTL-LJQANCHMSA-N 439.507 2.239 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722686972 AYKMWRGQRMCDLP-KRWDZBQOSA-N 443.621 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1722732252 WVOMRWBVDYZLTK-XLIONFOSSA-N 426.583 2.157 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722743485 ZSHWKOOITQIXHN-PKOBYXMFSA-N 438.557 2.363 30 10 IEEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1723041409 ADHJHNXABXSRPE-KRWDZBQOSA-N 448.568 2.487 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1)S(C)(=O)=O 1728494445 GWGYESGTNVQWCK-QGZVFWFLSA-N 446.577 2.104 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1729455285 DWFIJASFHQFUPG-UHFFFAOYSA-N 447.536 2.490 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1729764722 FRTCOUOQTXYGKG-BJLXPSRBSA-N 427.530 2.117 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 1730607424 BHZBOAPONPFQRS-UXHICEINSA-N 441.532 2.395 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740621630 XWYVWWHDXLTJDK-OALUTQOASA-N 441.582 2.339 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740719912 UIFRXFRYGCUJLG-OAQYLSRUSA-N 429.521 2.405 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740788133 OXIUWQBVKYMMTI-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740863816 GYACIAVSZYQMJL-QZTJIDSGSA-N 437.610 2.279 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740874417 SSKKFRPOCRDMJR-JKSUJKDBSA-N 428.541 2.024 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1740884416 AIBRIPPWMLCEMU-FQEVSTJZSA-N 447.540 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740955710 DKQHXSPUOYBJJQ-UHFFFAOYSA-N 441.536 2.136 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740969686 VJEATLJYDAAWIV-HKUYNNGSSA-N 425.533 2.452 30 10 IEEE CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1744154779 BKSXSOMCRMBOMP-FQEVSTJZSA-N 432.532 2.282 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)S(=O)(=O)CC)CCO1 1745000073 CVVGABWAKUUMCK-LJQANCHMSA-N 446.577 2.104 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1747619721 YJGGIKPPOGZUMB-IBGZPJMESA-N 429.546 2.257 30 10 IEEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1748706344 IHOWFIXKNHQKTO-GOSISDBHSA-N 438.532 2.370 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1748738715 NDTKYGFRZKLKSR-UHFFFAOYSA-N 444.967 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCSC1 1748835436 BWUMMAYNPBJFJR-JOCHJYFZSA-N 426.542 2.293 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CCO)Cc1ccccc1 1749136552 PFRLMKXDRVJXDV-NFBKMPQASA-N 439.560 2.381 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749207725 QOKGVHLNHTWKOM-HSZRJFAPSA-N 437.548 2.488 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(C)CN(C)C2=O)C1 1749717598 MWEXWDIOBYPBAE-XXBNENTESA-N 425.533 2.159 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749736296 HQKXCFWQPOMVLF-RTBURBONSA-N 448.564 2.472 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1750076656 QNEJRTDHSMVPJT-MJGOQNOKSA-N 425.537 2.048 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)C1 1750195725 YEMWRYGEMOGYAN-RTBURBONSA-N 427.530 2.175 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncnn2C(C)(C)C)CCOC1 1751019036 SEXKOXQLBNMDRD-LEWJYISDSA-N 446.531 2.155 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCOCCS(C)(=O)=O 1760099755 LCXZUSDRJRTSDH-GOSISDBHSA-N 430.574 2.267 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CSC)cc1 1760206300 WBTDYXLHKRVEJS-IBGZPJMESA-N 428.583 2.164 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1 1760218368 FHMNDFKLWUDCHV-RDJZCZTQSA-N 431.587 2.212 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCNC(=O)C1CC1 1760246044 QXXOMZIVKRKWFS-UHFFFAOYSA-N 446.349 2.320 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc3cccnc23)CC1 1760256731 JOCFNEPBEJARDB-IBGZPJMESA-N 434.544 2.354 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@H]1C 1760277729 RHYBJKMGUHHTDG-OAHLLOKOSA-N 426.575 2.229 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760335182 LZAVPPUFSHVRQH-AOIWGVFYSA-N 431.562 2.253 30 10 IEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1760355004 VPKLZPFWCGCHIU-UHFFFAOYSA-N 429.546 2.264 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)CC1 1760432866 VNHFJQPCGSJBHU-UHFFFAOYSA-N 436.607 2.082 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CC1 1760504278 NCMQFDCRPGDIGL-UHFFFAOYSA-N 425.942 2.210 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(OC)CCOC1 1760505525 WMSOZPFHLPMPHB-UGKGYDQZSA-N 430.505 2.235 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNC(=O)c1cc[nH]n1 1761048492 MXUYAYMXEIPICF-MOPGFXCFSA-N 432.532 2.373 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN3CCCC[C@H]3C)CC2)c1C#N 1762399954 HXLAJFCXRYQVAB-QGZVFWFLSA-N 425.585 2.091 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccnc(OC(F)F)c1 1764844409 BWKQZSPLGNHMQR-UHFFFAOYSA-N 427.415 2.420 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1Cc1ccc(C(N)=O)nc1 1768659676 HHAMYUKPQYEPFM-UHFFFAOYSA-N 426.484 2.334 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 1772790514 PPKFYFUKUDSMQK-UHFFFAOYSA-N 429.385 2.323 30 10 IEEE Cc1nnc2c(N3CC[C@@H](NC(=O)c4cccc([C@H](C#N)c5ccccc5)n4)C3)nccn12 1852612285 JQLNFYOQCNEJIX-RTBURBONSA-N 438.495 2.492 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)CC1 1853307492 DGFMXTJCBGLSBG-HXUWFJFHSA-N 435.503 2.474 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CCC(n4nccn4)CC3)CC2=O)c1 1856267985 GXFZOCNJPLHIBQ-MRXNPFEDSA-N 426.908 2.323 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1859011463 GIGZESIWAOBLPG-UHFFFAOYSA-N 433.442 2.168 30 10 IEEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCN1C(=O)c2ccccc2C1=O 1861528236 DELDVJNQIMNQJZ-YLJYHZDGSA-N 443.544 2.111 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862421220 XFMFXVMIMSSEMH-IBGZPJMESA-N 446.406 2.393 30 10 IEEE CCOc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870148434 MTWOOLDFNVMBFP-UHFFFAOYSA-N 445.527 2.471 30 10 IEEE CCOC(=O)c1sc(C2=C(N)N(C[C@@H](c3ccc(O)cc3)N(C)C)CC2=O)nc1C 1872796071 KVMCSSPENABDLF-HNNXBMFYSA-N 430.530 2.149 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(C(=O)OC)cc1 1874444709 JAVUCJXCEYRWLN-BFTVFPACSA-N 431.518 2.417 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(C)(C)O 2022894292 KUNOKMRPUWXEOE-QKKBWIMNSA-N 440.541 2.012 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]2[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124535992 YLTGWTZZNBVWCP-IMJJTQAJSA-N 444.341 2.360 30 10 IEEE C[C@H](c1cscc1C#CCO)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186591588 NSGOGNXJZYKIPI-OAHLLOKOSA-N 446.550 2.101 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2211763930 WZGKKUFZTHFGKP-NSHDSACASA-N 434.278 2.073 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2255695314 CSTZOSNDLYCTRC-IVZQSRNASA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2255695998 NUDFOOUDJBIZCC-HOTGVXAUSA-N 429.326 2.215 30 10 IEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2256618626 RYNSNTSCYXAHBH-UHFFFAOYSA-N 436.358 2.418 30 10 IEEE Cn1cc(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120099 FRZXGBBNMMAHMJ-LJQANCHMSA-N 438.381 2.361 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267186317 HYHDMIATPOTTAA-MBNYWOFBSA-N 444.259 2.496 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(Cc2ccccc2)C1 2267490759 SYZBXPSVLCDSCG-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267530982 JIOUVIQZFFWFKQ-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267590577 QQGSTDZVDRTFTR-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268634604 ZAJRRPQVFSAIKJ-INIZCTEOSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278789943 PYSMOUPZEUFIHC-QAPCUYQASA-N 444.347 2.244 30 10 IEEE N#CCCN(c1ccccc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286036491 MKPUUGVOQDYKDM-SFHVURJKSA-N 431.470 2.116 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](O)C#Cc1cccc(Br)c1 2313902374 XCCUSJCPYHFJHB-LSDHHAIUSA-N 432.336 2.099 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2319943807 KCKFAPHULOVJRS-LUKYLMHMSA-N 435.374 2.279 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2334270333 BARWHDQODXEPTH-OFQRWUPVSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2334275065 WZILVTJAFNRLMO-QANKJYHBSA-N 444.337 2.429 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2337298671 JLCKTPVZVOQRJW-KBPBESRZSA-N 448.373 2.141 30 10 IEEE CCOc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)c1 59886780 JZXZUNGIMYCTIY-KEBDBYFISA-N 444.521 2.223 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC2(CCOCc3ccccc3)CC2)n1 434541406 UQMBBSPIXSPXOE-UHFFFAOYSA-N 447.470 3.077 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@@H]1CCCO1 480929381 GXOREYMPUVNMSO-KGLIPLIRSA-N 432.567 2.277 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2)CC1 503399892 WTMYAQFBIPNKFO-HSZRJFAPSA-N 428.533 2.203 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3sc(C)cc23)CC1 508912903 MZQODMYOVHOUET-UHFFFAOYSA-N 426.550 2.242 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2C)nn1 511761326 LQOMJKWQQQPKLM-IBGZPJMESA-N 431.500 2.220 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1C[C@H]1CCCO1 514329469 GWYRMLHGQQTORA-LJQANCHMSA-N 439.581 2.043 30 10 IEEE Cc1cc(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)n2ncnc2n1 520339668 CSIPSJNZPQQIKK-UHFFFAOYSA-N 440.467 2.454 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C(=O)OCC)c2ccc(Br)cc2F)CC1 532741308 HJLRFYSHDQODMW-GOSISDBHSA-N 442.329 2.112 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Cc3cccc(I)c3)CC2)n1 545463241 SYNANBSBONKGNQ-UHFFFAOYSA-N 432.265 2.449 30 10 IEEE COc1cccc(-n2c(C)nnc2SCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546197334 JVKSTLADRYZUKQ-UHFFFAOYSA-N 449.540 2.292 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1-c1ccccc1C 549077770 GYEMZWXLRHCMFW-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCCC(=O)NC)CC1 549297782 YDGQLAUELMKNHX-FQEVSTJZSA-N 441.532 2.488 30 10 IEEE CN(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 549458644 BWMTUKLOBATLJE-HXUWFJFHSA-N 438.532 2.212 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 549914318 HHDNZZXHEAJQCD-PZJWPPBQSA-N 434.606 2.231 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2csc(CC(=O)Nc3ccccc3C)n2)CC1 553161723 FGOTWCZDLZYVPY-UHFFFAOYSA-N 427.574 2.053 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 564380074 VSUBTCYGZCZTSI-HNNXBMFYSA-N 438.561 2.377 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)cc1Br 567431126 DTEXBUOUFMJWPM-GFCCVEGCSA-N 427.198 2.348 30 10 IEEE Cc1ccc([C@H](Cn2ccnc2)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 570560250 VSVDOIIHNAPITN-NRFANRHFSA-N 437.525 2.208 30 10 IEEE COc1cc(CNC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)ccc1C#N 578561376 ALBAWOCCZBYHOA-UHFFFAOYSA-N 425.470 2.478 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)c1 603797239 FWMFTSUNEZSZKZ-UHFFFAOYSA-N 445.544 2.342 30 10 IEEE CCn1nc2c(cc1=O)CN(C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)CC2 610625686 HLFMCFLCYRHARR-UHFFFAOYSA-N 447.455 2.147 30 10 IEEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 618827770 PSEINBCTTVTKQW-XJUOHMSHSA-N 429.524 2.444 30 10 IEEE CC(=O)N[C@@H]1Cc2ccccc2N(CC#CCN2C[C@H](NC(C)=O)Cc3ccccc32)C1 671242317 BOVFJJGLBHKUNO-DNQXCXABSA-N 430.552 2.125 30 10 IEEE CCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729670851 NBVDJOUQYGWEJY-UHFFFAOYSA-N 429.505 2.109 30 10 IEEE Cn1c([C@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)nc2ccccc21 732496250 XFBKLZFCLLKRFL-UTKZUKDTSA-N 427.464 2.225 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 741728210 WSHHJXJLQVTSNR-UHFFFAOYSA-N 434.493 2.217 30 10 IEEE COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1C#N 746873364 WKROYDGKCGWSDE-HZPDHXFCSA-N 443.525 2.295 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1F 750051333 WMFRJQXOGPVFSU-UHFFFAOYSA-N 443.500 2.459 30 10 IEEE C[C@H](CC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 760968887 XLJODXOSJYKNMN-HZPDHXFCSA-N 449.573 2.474 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccn(C)n2)c1 765546282 BBVIRHWOZUEIDA-GOSISDBHSA-N 445.508 2.352 30 10 IEEE O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768049037 KLKRIUAXHDLIRB-ZCFIWIBFSA-N 439.259 2.152 30 10 IEEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 774147856 XUTXRTSUODFQQF-FPOVZHCZSA-N 433.574 2.054 30 10 IEEE C#CCN(C(=O)N[C@H](C)c1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 774154618 IXWBBTWMSJIMKM-OCCSQVGLSA-N 429.336 2.351 30 10 IEEE Cn1c(O)nc2ncc(-c3cccc(C(=O)NS(=O)(=O)Cc4ccccc4C#N)c3)cc21 777284126 ADCKRBYSYAGCHG-UHFFFAOYSA-N 447.476 2.472 30 10 IEEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NS(=O)(=O)Cc1ccccc1C#N 779189214 JZNPCWMKXGZBTI-UHFFFAOYSA-N 425.514 2.344 30 10 IEEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O 785651818 GXNPGNIHEWYBSS-TXZCHXJXSA-N 446.592 2.182 30 10 IEEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786687289 GJVDBTCTDRZXLP-GOSISDBHSA-N 449.598 2.338 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790248196 RYAPBOJFPMZTDE-FDDCHVKYSA-N 435.565 2.430 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CCCN1C(=O)OC(C)(C)C 790876421 YNXLHIUHJFOYHN-GAJHUEQPSA-N 445.564 2.373 30 10 IEEE CCN(CC)[C@H](C)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 794441221 NGSKIVHYXCZVOH-RDTXWAMCSA-N 445.589 2.116 30 10 IEEE CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CC[C@@H](C)C2 798742105 ZQJUZVSWTRJLLB-VXGBXAGGSA-N 445.501 2.256 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2)n1 799415585 HHBGISDAZGNXBM-WMLDXEAASA-N 440.508 2.214 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1[N+](=O)[O-] 801161383 KARDZUGNVRWCJP-UHFFFAOYSA-N 428.470 2.269 30 10 IEEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@H](C)Oc1ccccc1C#N 804879152 BXKXSDNZPGBYKC-DOTOQJQBSA-N 431.489 2.337 30 10 IEEE CC(C)(C)N1CC[C@@](F)(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 810788536 WJGLASKYMPDZKR-INIZCTEOSA-N 432.315 2.338 30 10 IEEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccc(C#N)cc3C(F)(F)F)c2=O)CC1 811726866 MZGSHFYANBJKOP-UHFFFAOYSA-N 443.454 2.094 30 10 IEEE COC(=O)c1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc2[nH]ccc12 813864773 BRCDOCHAWYEJAA-UHFFFAOYSA-N 426.454 2.022 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cn2cc(Br)ccc2=O)CC1 915039704 AXJOHMWFBCUVAG-BIWSTMPVSA-N 438.322 2.473 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4ccc(C(N)=O)n4)cc3)CC2=O)cc1Cl 1125632018 FLFBJJHIFDAYFR-CQSZACIVSA-N 448.870 2.488 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(CC(F)(F)F)CC2)C1 1135929871 WZWMVDANDXSNLD-UHFFFAOYSA-N 431.256 2.463 30 10 IEEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1234025567 ZEJUTAFBOHVTSG-WBVHZDCISA-N 439.545 2.060 30 10 IEEE CN(C)c1ccnc(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 1248736701 JWBUSJAFZUUMDU-UHFFFAOYSA-N 436.495 2.358 30 10 IEEE CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccccc2C#N)CC1 1253867292 KUYYFCQWGGSPPY-LJQANCHMSA-N 445.564 2.396 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CC2)nc1 1264925329 AADTVGBEMWDXOO-OAHLLOKOSA-N 425.439 2.370 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C2CC2)N(C)C)c1 1286309077 HDRJDAWRXOEWCQ-NRFANRHFSA-N 446.559 2.075 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1286380669 CNHUCKCLWZRRAI-HXUWFJFHSA-N 446.536 2.195 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1cc(CO)nn1 1286440635 GSJGVSVSGFPEDO-UHFFFAOYSA-N 429.912 2.241 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1286448292 RNOKLKGJUVFQIC-KRWDZBQOSA-N 425.514 2.343 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286534949 DRLPCHLDHCKAKB-NSHDSACASA-N 425.331 2.221 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1286637972 QNLQAHWYFYKPTP-RTBURBONSA-N 438.642 2.413 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O 1286962583 CAIDBWYOULGNOS-CQSZACIVSA-N 425.942 2.256 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1288997940 VUIRIHYXEZQOJX-JKSUJKDBSA-N 448.449 2.499 30 10 IEEE COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1nc(O)c(C#N)cc1C 1295114387 DEOFXWLZJFTSRS-MRXNPFEDSA-N 425.441 2.287 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N1CCOCC1 1300276149 HVUHYJSUWYVPTN-HNNXBMFYSA-N 433.459 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H]1OC 1300285257 ZGWRVWJBJVCRFI-HQRMLTQVSA-N 445.589 2.468 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300425306 SKLQOQHKVDPAHW-QHCPKHFHSA-N 441.532 2.288 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1300503403 CMYONGLIHFVXIQ-JENIJYKNSA-N 432.521 2.323 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nncn1C 1300655228 SRUFGIXYYKYGMZ-UHFFFAOYSA-N 448.300 2.110 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](OCC)C(C)C)CC1 1300683037 VMTMOIYTDHGRPO-LJQANCHMSA-N 439.564 2.132 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1300756519 PDTUAXKZBVWOMZ-ROUUACIJSA-N 429.521 2.313 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COC(C)C)C1 1300891663 MACZLFDJHDMYAW-JQVVWYNYSA-N 447.580 2.012 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300956583 BIEHTPDFAFBVPU-UHFFFAOYSA-N 445.571 2.278 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1301403598 MDVVFYDKLMWZMJ-LJQANCHMSA-N 431.562 2.146 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2c(F)cc(F)cc2C1 1301482335 VKPHVDUAAKYCDF-AWEZNQCLSA-N 435.475 2.145 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1301507832 AHBPVRRRIGIYKC-UHFFFAOYSA-N 439.951 2.384 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1302440428 YJOHLHWTCFJHLY-UHFFFAOYSA-N 439.488 2.459 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@H]1C(F)(F)F 1303878795 STFVEHHLJYIBTM-JTNHKYCSSA-N 446.455 2.036 30 10 IEEE C[C@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1305237565 FAXLANGVWNNTQK-HLAUDOPJSA-N 444.586 2.399 30 10 IEEE C#CC[C@@H](COC)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1313088228 PYUYEXHPUJFELN-KRWDZBQOSA-N 442.520 2.130 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1COc2cccc(Br)c2C1 1313198681 WCLNGIYAVQQOKB-LLVKDONJSA-N 433.310 2.204 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316257858 RYDKSDHMCXABDC-OAQYLSRUSA-N 435.532 2.046 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1316290621 NXUMUMWPDXINRV-IHFIDZABSA-N 444.580 2.391 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1316297929 RGGROPSEXHYHFT-YLAKUSLOSA-N 445.495 2.337 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2CCCCCCO)cc1 1316531492 PNLGGTKAYCLRCB-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE N#Cc1cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cnc1C(F)(F)F 1349106239 BQPYFTIWJCGZAI-QGZVFWFLSA-N 446.385 2.239 30 10 IEEE C#CCCCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358916920 AQAQNYYCBCAKRA-ZACQAIPSSA-N 430.553 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCC2CCOCC2)CC1 1359043107 HMJNYTWCGRFOJB-UHFFFAOYSA-N 438.576 2.456 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 1359055216 WNTANXUBYGFDPK-MRXNPFEDSA-N 448.618 2.220 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1359296061 VTRMPFNJBCGQLT-QGZVFWFLSA-N 435.536 2.095 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359329045 XIQDYYSORZRHSW-CALCHBBNSA-N 440.953 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2)CC1 1359332261 TZDUPHUXSOWOPS-FQEVSTJZSA-N 445.589 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCSCC1 1359335762 UMVOZFDGUREJSL-UHFFFAOYSA-N 438.575 2.020 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359461546 AKOCOFZERNMTPQ-SFTDATJTSA-N 438.532 2.403 30 10 IEEE CC(C)N(C)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360109757 DPXJKMYFMJCOQL-UHFFFAOYSA-N 432.532 2.139 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)[C@H]1CCCc2ccccc21 1439621781 DUZOOWRCQDYNQP-IBGZPJMESA-N 428.510 2.454 30 10 IEEE CC(C)(C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 1440613095 PLGBGAZCKJTUES-UHFFFAOYSA-N 427.526 2.173 30 10 IEEE Cn1cc(I)c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)n1 1440678968 AKTKWZRVSHXOEA-OAHLLOKOSA-N 435.269 2.047 30 10 IEEE Cn1cc(C[C@H](CO)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cn1 1451793716 FRYKVDZNLYUNJS-LJQANCHMSA-N 449.536 2.356 30 10 IEEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1457536187 SPRTYCMUAYNCCN-CQSZACIVSA-N 430.534 2.366 30 10 IEEE COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1460826794 CQZWILPECMRVKU-SPEDKVCISA-N 449.573 2.174 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1466929466 HTZVVORCGQGQJH-HXUWFJFHSA-N 432.546 2.314 30 10 IEEE COc1ccc(CNC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1C#N 1471193153 YIGLYZQNQUUFGL-VCHYOVAHSA-N 437.481 2.498 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)C1CCOCC1 1479008650 WBAPESHSUBCMAF-RDTXWAMCSA-N 427.314 2.467 30 10 IEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1493064370 DBQOFZIBBHIVQX-QFIPXVFZSA-N 435.488 2.084 30 10 IEEE C[C@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCO1 1493339588 FYUNSZCBBIIWGL-WMZOPIPTSA-N 429.546 2.113 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCOCC(F)F 1494135569 FETZMWZPDIBVJO-AWEZNQCLSA-N 432.479 2.204 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C#N)o1 1503706068 PZKYWWGTLYIXOW-INIZCTEOSA-N 449.515 2.479 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507628691 HZWVIRXXJBIARZ-GOSISDBHSA-N 447.580 2.441 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1507633978 HMUCDTYVAZVBED-IBGZPJMESA-N 427.574 2.471 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507755279 LKEHIUUUQMLSIC-SFHVURJKSA-N 439.651 2.143 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1507807291 MFEGYDXUZGWEFP-UHFFFAOYSA-N 432.550 2.153 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1508159948 CDPCWRGOPIMUCP-OAHLLOKOSA-N 431.628 2.013 30 10 IEEE CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516810224 CRRYRUDLMKALOU-ZCNNSNEGSA-N 443.573 2.350 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1519067752 SXBZHZAZFOFWCC-UHFFFAOYSA-N 436.520 2.257 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCSCCCO)cc1 1521089669 IDEGBABXXQEGIP-LJQANCHMSA-N 438.561 2.365 30 10 IEEE CC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccccc1 1525819428 OJDXVVPUNIAUCP-ATJXCDBQSA-N 428.514 2.491 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCN3Cc3ccccc3)C2=O)cc1 1533600400 YYZPEKVQFMNZOE-LEWJYISDSA-N 431.496 2.154 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)c1 1538446268 DWXGHMUEEYWZJS-LEWJYISDSA-N 437.521 2.050 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCCC1 1539259837 IIJODMVOTCQKBT-UHFFFAOYSA-N 443.555 2.234 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2cnc3ccccc32)CC1 1539428178 NOIAJOBETANEOW-UHFFFAOYSA-N 448.575 2.002 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539709905 ISEIOPACTJOJAI-UHFFFAOYSA-N 425.581 2.221 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539989209 PNXKDAVHSLDVST-OAHLLOKOSA-N 441.927 2.492 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540036498 OHWQGNNWAKIWIH-LJQANCHMSA-N 440.548 2.122 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1CN(C(=O)OC(C)(C)C)C1 1540068893 FIHCBXLUBKAKTR-UHFFFAOYSA-N 430.509 2.495 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1540172136 QPHATWGHEOYWLB-UHFFFAOYSA-N 434.537 2.126 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1N1CCOCC1 1540196276 WRPDZQZFRDQFBJ-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1541287754 DQCULAWFWHGBNK-UHFFFAOYSA-N 440.548 2.364 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1nccs1 1541674447 ACNNUADTECPUGM-UHFFFAOYSA-N 436.545 2.119 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1 1542978731 WNPDHXPUZBJVTM-QBEKEKFNSA-N 442.516 2.155 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCCOCC(F)F 1544582054 FILKACVASPDWLT-AWEZNQCLSA-N 432.479 2.204 30 10 IEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)CC1 1547777136 QSPBIROAWIWFLQ-UHFFFAOYSA-N 441.536 2.007 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)c1occc1C 1554471546 XUQKGYVXFWGYIW-UHFFFAOYSA-N 449.515 2.111 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1555267572 WDBZDCHPCMONGH-QKLQHJQFSA-N 430.528 2.347 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1555993535 ADHWVTULAUEUFM-UHFFFAOYSA-N 433.516 2.229 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1555995352 FTQDOCIVHWSSHG-GOSISDBHSA-N 429.546 2.259 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1CSc2ccccc2O1 1557167893 CBENLBUDRQUQQS-GDBMZVCRSA-N 431.539 2.285 30 10 IEEE CS(=O)(=O)CCOc1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1563055254 HQPAGMFWJJAPTL-SFHVURJKSA-N 430.486 2.062 30 10 IEEE COC(=O)c1cc(C2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)no1 1564531230 PKBVXPRJNCZDJU-GOEBONIOSA-N 447.492 2.109 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4ccccc4[C@@H]3C(N)=O)C2)C1 1565773562 PJFVUUVNLIBBNF-OGTCTCAGSA-N 438.528 2.385 30 10 IEEE COC(=O)[C@@H]1CC(F)(F)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1583504372 BVALVZJUMPTIIK-AWEZNQCLSA-N 434.399 2.432 30 10 IEEE COc1ccc(Br)cc1C1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1585297191 PQGUIDJLDLFMSY-MSUUIHNZSA-N 434.290 2.132 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587894550 WFGHULFXQYJBBI-WZONZLPQSA-N 429.565 2.227 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCCCC2=O)CC1 1588800725 NPMJVRDROKZBDM-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CC=CCO2)CC1 1588955207 RKPXCQIAZUJPHR-JOCHJYFZSA-N 433.556 2.374 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589404481 JRNMDEYLXZFCIL-PBHICJAKSA-N 445.383 2.096 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1589545012 LEYGBOCKNBMVNN-XDNAFOTISA-N 438.594 2.023 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594492163 UHGWCGKPLFMZDW-SFHVURJKSA-N 446.596 2.295 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1594497847 NIMHNBCYUBPOIF-QZTJIDSGSA-N 449.621 2.374 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1594732628 GLAHUOAMEAVLHE-LSDHHAIUSA-N 435.516 2.219 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1595251857 YGJUZAXRNQYCFF-IBGZPJMESA-N 442.564 2.168 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCOC2)C1 1595679834 CFKZBMQEZMSARG-YVHKJVDXSA-N 432.496 2.490 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(CO)c2)C1 1595755327 WGUDLRRIBRBYDW-ACRUOGEOSA-N 428.533 2.324 30 10 IEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OCC 1596595847 MMJMTYPBNJKTPV-HNNXBMFYSA-N 443.953 2.150 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N=[S@@](C)(=O)c2ccc(OC)cc2)s1 1597011606 VDOMCIDRGOMFEI-SANMLTNESA-N 428.557 2.447 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCOCC3)cc2)s1 1597081516 NXWLPCOLULCKIH-UHFFFAOYSA-N 449.598 2.268 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1COCCO1 1603668788 GGBRZBMUYRLUHS-QGZVFWFLSA-N 428.512 2.229 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1614980688 DOFVKTMUSAURKI-PMACEKPBSA-N 449.559 2.086 30 10 IEEE CON(C)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1620118599 JIAUKZFLURCRNV-BMRADRMJSA-N 447.293 2.232 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CCC(S(C)(=O)=O)CC2)cc1 1622886631 MYKJFIFLYCTKNH-UHFFFAOYSA-N 443.591 2.218 30 10 IEEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1630325361 JFTOCAVWEKXRPV-UHFFFAOYSA-N 445.379 2.495 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccs1 1636730931 QZULUUFZEZMNCH-GFCCVEGCSA-N 437.971 2.179 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OCC)Cc3cc(F)ccc32)c1 1637093410 FNZPQOXEFMAURI-KRWDZBQOSA-N 444.484 2.119 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 1637374575 HPKNVTPJKWRDAE-OAHLLOKOSA-N 435.546 2.490 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C1CC1 1637691844 OXBNBAKPDYUCNL-RBUKOAKNSA-N 432.542 2.299 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1637736054 LIMRZXGCCPYJMG-LSDHHAIUSA-N 447.960 2.463 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)c1C#N 1641124495 NBVTUYCIJFYQJB-MRXNPFEDSA-N 433.310 2.012 30 10 IEEE CNS(=O)(=O)C[C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1644036620 WDTATAHVPFHMDX-HUUCEWRRSA-N 438.619 2.477 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NCc1nc(C#N)cs1)C(=O)OC(C)(C)C 1647980086 PWHRUKQMKQUUBJ-UHFFFAOYSA-N 439.538 2.393 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1689989315 DBUJVSFSBWOECE-RBUKOAKNSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCN(CC)CC1 1690040853 QVMXRBMPEKRHRZ-FQEVSTJZSA-N 448.571 2.163 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1690227655 DOOVLDIPBMKPDO-OAHLLOKOSA-N 446.353 2.162 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690466129 YPLOZAWWGKVSSD-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)C1 1690700605 VHPSNMIXVJCSGT-YESZJQIVSA-N 426.608 2.105 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1691549919 BLTPUCNZTJLYKI-AUSIDOKSSA-N 437.548 2.264 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1693865464 LDJUPOAMTKKAHC-QFBILLFUSA-N 429.546 2.476 30 10 IEEE CCC(O)(CC)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1694418933 BEJFREDKTDPSHC-UHFFFAOYSA-N 426.569 2.022 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1694782869 CNWITWKZMUXYKB-LJQANCHMSA-N 449.559 2.180 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(OC)CCC(C)CC2)CCOC1 1696085968 GHXPDMQEIUKNJR-IVFBNWJGSA-N 433.553 2.254 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccccn1 1696498718 UAOZLHQLHZRYQR-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1696986158 FGFRKHGCNZMUBA-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCOCC(F)F)c1 1698485606 JOCLIZXAEITJHQ-WBVHZDCISA-N 430.459 2.061 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnccc1OC 1705481411 GDYLOBYLPFYMRD-HNNXBMFYSA-N 425.514 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)cc1 1705503774 DLLWARWEMGKJFW-IHPCNDPISA-N 425.533 2.198 30 10 IEEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1705521371 ZTKCMKAAJPVYIM-HXUWFJFHSA-N 425.533 2.174 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1705563465 YETFCQMDPDKOBM-FQEVSTJZSA-N 441.557 2.259 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1705563779 FESMIIJILVXUQX-KRWDZBQOSA-N 425.514 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CN(C2CC2)C1=O 1705578178 JBFVUHQPXZAUMM-DEOSSOPVSA-N 433.512 2.046 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1705640372 OXZFVXFBXWJUSL-UHFFFAOYSA-N 440.567 2.256 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2csc([C@H](C)OC)n2)CC1 1705640672 ALDWVYVRAROIKX-KRWDZBQOSA-N 437.573 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2F)CC1 1705651399 VRWNMNIUYKIZPG-UHFFFAOYSA-N 449.534 2.293 30 10 IEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccnc2N2CCOCC2)CC1 1705762605 DHTDFAUDLHHFCY-IBGZPJMESA-N 442.564 2.438 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1705804904 RICWNMLZRGJQFJ-MRXNPFEDSA-N 445.593 2.261 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705830430 PJWPSSLHKRLUKP-IBGZPJMESA-N 427.553 2.190 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705893996 KEXUZNOWXUZRTI-QXAKKESOSA-N 430.597 2.172 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(CNC(C)=O)CC1 1705899105 IBNCCYPUQIPBEV-UHFFFAOYSA-N 447.543 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705899295 OGKLUXVYBYAPHQ-KRWDZBQOSA-N 442.539 2.076 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706934513 BAWUOGCKXRMGLU-HRAATJIYSA-N 425.468 2.202 30 10 IEEE CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1709914015 YJPRSTJIOAHWTO-PEZBUJJGSA-N 434.298 2.018 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1712102510 YDIZVTDBPLXRNA-KSSFIOAISA-N 426.521 2.162 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1722370143 HPYHZMDQMXMZCB-HSZRJFAPSA-N 444.583 2.152 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1Br 1722428234 YGPUBQGWSNSVJY-UHFFFAOYSA-N 446.349 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1722444877 HEURPPFJENASAJ-PZJWPPBQSA-N 436.560 2.367 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722623997 QFHIUKKKADOBTK-APWZRJJASA-N 434.562 2.148 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722626236 AKXATRLOJNKLMS-UXHICEINSA-N 430.553 2.175 30 10 IEEE C=CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722651793 SMDKBDZFRFKFHE-LJQANCHMSA-N 429.590 2.500 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1722671559 XMIGSAQLBOTXAR-KRWDZBQOSA-N 435.532 2.493 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)COC2)C1 1722713623 GFVIYDFIRJMAAH-QGZVFWFLSA-N 432.546 2.166 30 10 IEEE Cc1csc([C@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)n1 1725040146 NVLMIDRAFJACPR-DVEDPGPFSA-N 427.534 2.262 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726604790 QMEHKBXHDDEMSI-RDCVWBNRSA-N 427.896 2.366 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)NCc1ccco1 1727593739 RPBYITRHBPMIQQ-UHFFFAOYSA-N 433.516 2.338 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(F)(F)F 1729221053 HMGKWEWROLYMBD-UHFFFAOYSA-N 430.456 2.145 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1OC 1730044663 AHRDESKMPRVOML-CABCVRRESA-N 433.534 2.135 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1730461452 XQGFMVISDANDCM-IRXDYDNUSA-N 442.520 2.288 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1740553022 QJEIKSXNPWCZNN-AEFFLSMTSA-N 440.573 2.387 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740571575 QDCULXPUQUZBCS-LJQANCHMSA-N 438.507 2.134 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 1740616792 GZUAGEAXHJGKNI-GOSISDBHSA-N 444.557 2.238 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740619034 LVPWXJHMFFJMSL-WMLDXEAASA-N 449.558 2.232 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1740668932 FNFGHLBUHYVWLN-CQSZACIVSA-N 428.443 2.076 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1740675430 BVKQMSGFXYEHPZ-HYFFOGBASA-N 433.553 2.314 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1740687815 HNTLASDOEZLLDZ-SFHVURJKSA-N 443.552 2.218 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740961712 HURPJYQEHNCFQF-FQEVSTJZSA-N 434.548 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(C(C)=O)CC2)C1 1740970119 FFPZZVAAPXGCAQ-FQEVSTJZSA-N 446.596 2.236 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2nncn2C)C1 1740978643 ZWJHLUZXIUJFRJ-QGZVFWFLSA-N 439.520 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740992450 QLIXAIVLGFMBNC-HOTGVXAUSA-N 430.521 2.254 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)OC(C)(C)C)CCOC1 1741127174 YEPJMKXKHUKCCV-IERDGZPVSA-N 436.557 2.439 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741609398 FZPIRULSNSLMKZ-FQEVSTJZSA-N 438.580 2.453 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCc2cnn(C)n2)CCOC1 1741725900 QJEUJDFZRIVTTP-QFIPXVFZSA-N 442.568 2.210 30 10 IEEE C[C@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)[C@@H]1C 1743400497 WNKRYUPNSOHQCY-MDZRGWNJSA-N 429.546 2.474 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCO)[C@@H]1CCCc2c1cnn2C 1747623692 MNZNRNVPFTUERD-HXUWFJFHSA-N 435.532 2.463 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1748759691 MPOSZWLXYKNFQA-VGSWGCGISA-N 443.573 2.457 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C)nc1-c1ccccc1 1748825081 PBDHYPMQQJIWRL-UHFFFAOYSA-N 427.512 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCOCC2)c1 1748886694 LWMZXWGAXXAULR-UHFFFAOYSA-N 441.539 2.079 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1749120783 HLSUDTWKKYLXPQ-ICSRJNTNSA-N 440.548 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749129410 CUGJITJTDRBBKS-WTGUMLROSA-N 431.581 2.456 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCC(=O)N3)n1CCCC(F)(F)F)C2 1750381993 NAGIZWSYBLQBKG-AWEZNQCLSA-N 435.410 2.107 30 10 IEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)COCCO1 1751303928 RRUHIDQHVHJXRV-QHCPKHFHSA-N 438.532 2.104 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCCO1 1752271788 MWSGWEYPVDMUIC-PXNSSMCTSA-N 438.532 2.069 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1760176346 HRZYGGFPMKUZCV-QGZVFWFLSA-N 430.553 2.117 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186830 QZWZUXNNGWCUBC-HXUWFJFHSA-N 448.564 2.450 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Sc1ccccc1 1760194693 OIZWBJVDJRJHSM-SJORKVTESA-N 431.587 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760198666 MWYOMYOOCDIZDU-XTQSDGFTSA-N 428.496 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CCC)OC 1760200294 BPNKSJRNEOCSHY-QGZVFWFLSA-N 428.562 2.126 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1760208700 YDWQHEBTRFSSOP-IBGZPJMESA-N 444.580 2.001 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN(CC)CC)CC1 1760256356 WDBFYXMFKLTKRY-UHFFFAOYSA-N 425.537 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCc2cccc(C(N)=O)c2)CC1 1760266477 ZVEVHCBPDQSBCV-KRWDZBQOSA-N 436.560 2.099 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)OC1CCCC1 1760317036 ZYCZWEULVHTUDT-UXLLHSPISA-N 427.571 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760321404 GFUWGOYFVINWNF-XXBNENTESA-N 444.624 2.393 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760449310 GUGAJAMTJGZODK-MRXNPFEDSA-N 444.536 2.094 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1760490330 UYYXSUXOPOVNQL-MHTWAQMVSA-N 431.581 2.432 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1760495215 HYRDNMOAEJBVRO-UHFFFAOYSA-N 443.556 2.143 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCc2ccccc21 1761356349 FMVLQSZALWMADU-QMHKHESXSA-N 431.500 2.498 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)(C)C 1770204075 BSMHXLLCSSOKRA-PNLZDCPESA-N 432.569 2.294 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1770308603 HHMUAKPWYAOGGK-MRXNPFEDSA-N 435.937 2.295 30 10 IEEE CN(CC(=O)NCC#CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1 1850340074 CPFAJRLTQHGTTI-UHFFFAOYSA-N 442.463 2.083 30 10 IEEE CS(=O)(=O)N1CCC(C(=O)OC[C@@H](C#N)Cc2ccc(Br)cc2)CC1 1851096165 RFRWQUVLVKQGKG-CQSZACIVSA-N 429.336 2.346 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccccc3)C1)CCC2 1852364938 DTLAGWVZCMZJDO-MRXNPFEDSA-N 427.530 2.325 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CCC[C@H]3Cn3ccnn3)C2=O)c1 1853694392 PVNIJFWAUOFEDM-QFBILLFUSA-N 426.908 2.293 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cncc3ccccc23)C(=O)C12CCCCC2 1854401612 QXNYIKPFFJJBJJ-UHFFFAOYSA-N 426.498 2.075 30 10 IEEE Cc1noc(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)nc1 1858291775 IOXHSFYKDODXOH-UHFFFAOYSA-N 433.471 2.160 30 10 IEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc(OC)c1OC 1859479498 PYZJDNXGJQLPTE-UHFFFAOYSA-N 435.440 2.138 30 10 IEEE CCc1nc([C@H](C#N)C(=O)CN2CCN(Cc3ccccc3)CC2)sc1C(=O)OC 1872796155 NSUXVIJGTCCXDU-QGZVFWFLSA-N 426.542 2.486 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 1890253640 OJPZTYOVFWPUFZ-UHFFFAOYSA-N 431.496 2.457 30 10 IEEE Cc1cc(C)n(-c2ccc(OC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)n1 1890278266 MEFUABFJSJZJFK-UHFFFAOYSA-N 438.513 2.383 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)C1 1892023112 HMSJBDSZEPAVJI-GFCCVEGCSA-N 441.282 2.482 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243418039 ZKLAQBPBELBJHG-OAHLLOKOSA-N 430.376 2.493 30 10 IEEE CON(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247834922 CYFOJGIGDKWKEK-UHFFFAOYSA-N 439.343 2.065 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(C)C 2248403856 GXSAGLVYWDEMRX-NSHDSACASA-N 440.375 2.137 30 10 IEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254798268 AVCRCXKAPGJSNL-IRXDYDNUSA-N 433.358 2.499 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255617466 CNOVCMCOPAWGSE-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2255620825 ZTKJEJVGBAPBHX-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255819300 YVAXSLAJAZQRGM-SWLSCSKDSA-N 435.305 2.163 30 10 IEEE Cc1cc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)oc1B1OC(C)(C)C(C)(C)O1 2255828230 REWSUGSCFJMOKQ-UHFFFAOYSA-N 435.330 2.085 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H]3CCOC[C@@H]3OCc3ccccc3)c2)OC1(C)C 2255859839 VQALTTXTXQWZQD-QUCCMNQESA-N 426.322 2.418 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255878011 QNACVIBDHUGNQK-UHFFFAOYSA-N 431.342 2.320 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2266063532 YHNMKUCSJATISG-VVONHTQRSA-N 447.341 2.392 30 10 IEEE C[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2267092258 MZEZCEWBKGXJEI-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267095348 MIRQFMPYDIVHNT-KOSHJBKYSA-N 436.365 2.351 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267133516 CVCSCXZDVGRFSJ-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267137296 MCLBUHMPBNWJCM-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CCn1cc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267178040 WSKCGFFEEBLONN-ROUUACIJSA-N 436.365 2.062 30 10 IEEE CN1CCC(N(Cc2ccccc2)C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2267194304 OUDPKEBJZNZDFF-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267226372 TZJZGLPORVUDKO-UHFFFAOYSA-N 449.357 2.042 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267523117 XRYRCHQBDFOFEY-CABCVRRESA-N 448.373 2.474 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1 2267597149 ONZGIYWMLVYBFO-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267874251 YIRNQUXRXKFNMI-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=NCC#N)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297470439 YTBSWTZLBNCNMW-YHXCKCMHSA-N 442.556 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](N)C#Cc1cccc(Br)c1 2313858212 DWDIXLGHBLQVKJ-HUUCEWRRSA-N 431.352 2.066 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3cccnc3)CC2=O)cc1 2325882589 ZUONAYZPSLRGKR-INIZCTEOSA-N 438.513 2.169 30 10 IEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1 2325918344 DAWWPYGKWVUZMF-SFHVURJKSA-N 434.525 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H]2COC[C@@H]21 2345738601 FBKBSUYNHKHHKB-SJORKVTESA-N 449.332 2.344 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc1 20293002 PWAFMIKHKFTIFG-OFJBCHTGSA-N 425.518 2.416 30 10 IEEE Cn1cc(/C=N/Nc2nc(SCC(=O)NCc3cccc(C(F)(F)F)c3)n[nH]2)cn1 59310842 SVFVRGNOYREXMR-QPJQQBGISA-N 438.439 2.412 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccncc3)n2)cc(OC)c1 59311004 YLODKJKMWROAOZ-SSDVNMTOSA-N 427.490 2.071 30 10 IEEE CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 109592222 HDKXPTRTWCPTKY-GOSISDBHSA-N 430.549 2.062 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1)c1ccc2c(c1)OCO2 254747442 FJPKCEIJFJMZNH-VQIMIIECSA-N 444.534 2.369 30 10 IEEE C[C@](C#N)(Cn1cnc(I)c1I)NC1CC1 304395309 LVEJKIWQTFEVHD-JTQLQIEISA-N 442.042 2.127 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 428362325 HIHRLUJTOHOGSF-HNNXBMFYSA-N 428.518 2.373 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 465263519 HJEQRSXDPSMWFB-CYBMUJFWSA-N 429.406 2.454 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CC2 471700623 LCOXORZNALUTJV-CQSZACIVSA-N 447.465 2.171 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1-c1ccccc1C#N 477362145 VGTCHQPZIRIWAS-UHFFFAOYSA-N 446.507 2.247 30 10 IEEE CC(C)c1csc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 478056666 HWNDHKKWRUEAMR-UHFFFAOYSA-N 433.559 2.354 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491681082 VGPBSTOGXDWFJQ-UHFFFAOYSA-N 438.578 2.433 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](O)Cc3ccccc3)nnc12 516502014 ZBRLJSWYDFLZAZ-KRWDZBQOSA-N 449.536 2.042 30 10 IEEE COc1ccccc1N1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 519938421 ZZRNAMHKLVEOQN-UHFFFAOYSA-N 442.541 2.286 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(Cc2nc(C)no2)CC1 520198582 UKADOBUNTDLRGN-UHFFFAOYSA-N 439.520 2.455 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1-c1ccccc1C#N 521839099 SALRVQNEBWOOOY-UHFFFAOYSA-N 446.507 2.247 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2ccccc2)c1=O 523744398 HMMUSRNXMJKZOO-YLJYHZDGSA-N 439.581 2.144 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 524412414 DWMJLJZFJSZXDE-AWEZNQCLSA-N 448.466 2.378 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3[C@H]4CC[C@H]3CC(O)C4)c2)c1 527345782 JENJPZPOUJBIJD-SFTDATJTSA-N 432.476 2.326 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)cc1 544333594 KPHIAYQIHMFNDT-QFIPXVFZSA-N 432.528 2.366 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N=c3nc(CCC)[nH]s3)nnc12 549623255 BBQIDPVRAACEKM-UHFFFAOYSA-N 441.542 2.187 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)cn1 579052701 FYMARDNZNFWHNV-UHFFFAOYSA-N 437.481 2.101 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 589112708 UVBWYYXXKAQYSE-OAQYLSRUSA-N 427.526 2.387 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC(OCCCO)CC1)CCCC2 610683021 XXNHVUCQVSKSAH-IBGZPJMESA-N 444.576 2.219 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCO)cc1 703975767 ZBTUIXRNAWPHTE-UHFFFAOYSA-N 426.494 2.095 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCc2c(C)nn(C)c2C)C1=O 726409853 CZFRJVUWLBQNGH-GOSISDBHSA-N 447.536 2.495 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@H](C)CN1CCN(C)CC1 730139871 JIAMWWZRSIIFCX-XLIONFOSSA-N 443.617 2.231 30 10 IEEE COC(=O)CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)Cc1ccc(F)c(F)c1 731033033 LXQSDCSICKGYNT-OAHLLOKOSA-N 440.406 2.465 30 10 IEEE CC1CCC(NS(=O)(=O)CC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 731733527 DZWKTUKMDMVGPG-XOLUKPFASA-N 441.594 2.347 30 10 IEEE COc1ccc(NC(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)cc1 732706062 DEKZGFXPUUCDNG-HXUWFJFHSA-N 447.495 2.085 30 10 IEEE CCCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)cc2C1=O 734292419 NAXAZWOQNLSVSU-UHFFFAOYSA-N 425.466 2.382 30 10 IEEE CC(=NNc1c(F)c(F)nc(F)c1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 739401626 WEBXXZHHTRONPR-UHFFFAOYSA-N 432.399 2.495 30 10 IEEE Cc1nccc(CN2C(=O)[C@H](CC(=O)NCCCN(C)C)SC2=Nc2ccccc2)n1 741453295 DAFJOUTYHGUQGQ-IBGZPJMESA-N 440.573 2.375 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 742819591 QYWDMQZOJFZOPM-KRWDZBQOSA-N 448.589 2.142 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 764995257 WZZYXUZFBOOCQY-MRXNPFEDSA-N 437.591 2.069 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 765953283 DNCGUBPYPYGTNU-QZDDYHLFSA-N 449.577 2.445 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 767813572 CCDFKMMUNBMBNP-ZDUSSCGKSA-N 429.420 2.367 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768044585 INPOXJJPKFHIJT-FVMDXXJSSA-N 440.369 2.432 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cncc(C(=O)OC)c1 769002850 CXRMVUDOTGNSCM-MRXNPFEDSA-N 430.486 2.104 30 10 IEEE Cc1cccn2c(=O)c(C(=O)OCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)cnc12 773686914 QHKHMKPZWKKISE-UHFFFAOYSA-N 443.381 2.346 30 10 IEEE C#CC[C@H](NCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1ccccc1 775404914 QXBHYVFYNLFIAK-QNCNLXEUSA-N 437.565 2.486 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 780906029 BMIYEWYCDYJNRN-QFIPXVFZSA-N 446.486 2.164 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)c1 783455556 WHKVUWISRIDDLR-UHFFFAOYSA-N 445.479 2.113 30 10 IEEE CN1CCN(c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2Br)CC1 787894618 PLCALBDNAZYERI-UHFFFAOYSA-N 448.365 2.292 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)n1 788370792 YRUUDTJTTZBMCF-UHFFFAOYSA-N 429.565 2.449 30 10 IEEE CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 790543272 RNPJWXGINGQUPB-LJQANCHMSA-N 428.512 2.088 30 10 IEEE C=CC[C@]1(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CCCN1C(=O)OC(C)(C)C 790651846 RACZHMLEGCZAHC-HXUWFJFHSA-N 441.525 2.435 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(S(C)(=O)=O)cc1 797583053 OVLARLFJADHFHL-QFIPXVFZSA-N 444.509 2.130 30 10 IEEE Cc1cc(C#N)nc(N2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 804578735 QJGBHTDJSYUGPX-FUHWJXTLSA-N 428.537 2.389 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c(C)c1OC 806610792 YPCDXCADVLXQJJ-UHFFFAOYSA-N 428.473 2.123 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2csc(Br)c2)nc1 809174402 WFEBSWZPYLEWNQ-UHFFFAOYSA-N 435.346 2.166 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 856675043 ZDPSJNUNOOFFMU-OAQYLSRUSA-N 429.546 2.452 30 10 IEEE C[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 914680241 UZGQSACLVWYOLV-GJZGRUSLSA-N 445.497 2.146 30 10 IEEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917702946 JKMYXDZZNXYNQZ-QGZVFWFLSA-N 439.472 2.404 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)N[C@@H](C)c2ccccc2)n[nH]1 1084288062 NYVRDWPQWOSQPV-ZDUSSCGKSA-N 442.549 2.026 30 10 IEEE CCN(CC)CCOc1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1135085786 FIQJSQPERWVLMG-UHFFFAOYSA-N 430.530 2.084 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cccc(OC)c1OC 1136685852 LFBRJZMIQXIKNF-CABCVRRESA-N 435.477 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)CCc2ccccc2)CC1 1139004725 DEQWZVPQFYUWSC-UHFFFAOYSA-N 448.585 2.411 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ccnc(F)c4)CC3)ccc2c1=O 1141009370 FWUFUWMKMPCVLI-UHFFFAOYSA-N 425.489 2.368 30 10 IEEE C[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1143727254 UUUAQOXXLGVXLG-PXNSSMCTSA-N 430.549 2.461 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 1149999690 DKAFZWGKZJJOQG-UHFFFAOYSA-N 447.520 2.487 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 1152207610 MWXAWTFLGSHCAX-KBXCAEBGSA-N 447.479 2.464 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCC[C@@H]3N3CCC(O)CC3)CC2=O)cc1Cl 1152692693 ALUWNBAFUHPYOX-YSGRDPCXSA-N 430.936 2.059 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)cc3c(OC)ccnc23)c1 1154092531 QRZQPSGOSNPATR-UHFFFAOYSA-N 425.466 2.416 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(C(=O)OC)ccc2NC1=O 1157209506 USCMMTFYTQPEOB-QZTJIDSGSA-N 443.500 2.149 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)CN2CCC(Nc3ccccc3C#N)CC2)cc1 1174984058 MFLBRIKQXWRSEG-UHFFFAOYSA-N 426.542 2.154 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1286322912 HSZKNWZSOWKHNS-GOSISDBHSA-N 425.599 2.285 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1286387253 CAPBQIYJMWBWRD-HXUWFJFHSA-N 439.541 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCS1(=O)=O 1286415932 NMLKHGGIKPBYDS-HXUWFJFHSA-N 435.553 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1noc(CC)n1 1286424374 VWDBANTYMQJQRY-UHFFFAOYSA-N 432.484 2.367 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1286443657 KLJLGNFMLNECMH-NHCUHLMSSA-N 436.560 2.071 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCNC(C)=O)CC1 1286471169 HGASWPJXKLBQNN-KRWDZBQOSA-N 444.967 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCC(C)(C)O)CC1 1286493540 WERJDSHSTOCSNS-UHFFFAOYSA-N 443.523 2.123 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286612474 VFRQJCXZIDOWGT-PMACEKPBSA-N 446.596 2.347 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286712434 YZMOFDQPHRCVCI-SFHVURJKSA-N 438.594 2.312 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286785376 KJCFGDIFBJEDOM-SFHVURJKSA-N 449.559 2.044 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286791052 MNNVJNNVSYSFGS-UHFFFAOYSA-N 433.626 2.172 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1286795018 VCQRXTFZQUGVLX-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(CCN(C)C)CC2)C1 1286804524 LZCLZUNTHXTVQT-HXUWFJFHSA-N 427.597 2.328 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CCC1CCOCC1 1286820148 FUPKYFLBAVUAPJ-SFHVURJKSA-N 426.583 2.373 30 10 IEEE Cc1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290793452 IFNVZNKFKNZEGB-XKXPVHLMSA-N 436.516 2.156 30 10 IEEE C[C@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1N1CCN(C)CC1 1295071618 GJRUUSXXUYHVOC-FPOVZHCZSA-N 432.609 2.121 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1296250781 DYXLVFFJENXKRR-VXKWHMMOSA-N 432.569 2.223 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)C)CCOC1 1296648897 DJKDNUQTJRHMKL-QFIPXVFZSA-N 425.537 2.179 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1300272515 NGUPYNGROCJDAQ-MLNJSSBLSA-N 433.965 2.231 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCc2n[nH]c(C)n2)c1 1300332807 OTMAZQQRCMPVDD-UHFFFAOYSA-N 443.515 2.009 30 10 IEEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300352822 CYSKOBWAQLAVHA-INIZCTEOSA-N 436.495 2.420 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCc2ccccc21 1300513077 QXLJWQRRGLNHFT-VWLOTQADSA-N 433.556 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCO[C@H]1C 1300560991 KIDARIPTBYLRIC-LIRRHRJNSA-N 432.322 2.039 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCOCC1 1300648642 HQOVJGROEFEBET-HXUWFJFHSA-N 441.507 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](OC)C(F)(F)F)CC1 1300732529 NRFBQFNBTUCXCX-CVEARBPZSA-N 443.470 2.063 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1300761663 DHZODRKIZWAOGJ-QGZVFWFLSA-N 446.646 2.490 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC)cc1 1300778586 AGTIRJVPEPNRTG-XMMPIXPASA-N 434.544 2.304 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N(C)C)CCSC1 1300820106 YURHQJCYDVPOSV-MOXQZVSFSA-N 433.622 2.432 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 1301554839 OGTFGPMOJZFIBD-AABGKKOBSA-N 442.539 2.453 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2CCCO)CC1 1303000774 SIYPPAOVRLHXDX-HXUWFJFHSA-N 439.520 2.440 30 10 IEEE Cc1cccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1304247483 GDYHOMQYVQDOGA-PKOBYXMFSA-N 447.499 2.430 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1305256045 MIQAYYNBMJODMD-VBQJREDUSA-N 439.545 2.135 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1305783062 SHTIDMOPKNLNCH-GJZGRUSLSA-N 437.493 2.060 30 10 IEEE CCOC(=O)c1cn(C)nc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1306095857 CQSUCXOIVZZLCY-UHFFFAOYSA-N 432.278 2.306 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1306484706 JCLUHZDLGCDZEH-ARJAWSKDSA-N 449.559 2.096 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)cc1 1310132032 YACAPZMJMPQXGA-MRXNPFEDSA-N 447.517 2.133 30 10 IEEE CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1313591878 DXIRZQOFRYSGAI-HNNXBMFYSA-N 441.513 2.480 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358919128 SFWXIZKJTJUBNJ-GOSISDBHSA-N 429.546 2.184 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CN(CC(C)C)CCO1 1358980451 VSIVIYGREYSNCI-JOCHJYFZSA-N 435.572 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358993779 WZLOAWZGHLJBPP-OAQYLSRUSA-N 429.528 2.491 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1359008063 FPSRFCNYATZXGN-YESZJQIVSA-N 430.553 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1359044480 HDNOMIMPNGVYEO-PZJWPPBQSA-N 442.608 2.012 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359192617 KCAPTSDJKDJASL-XXBNENTESA-N 433.597 2.442 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)C)C1 1359291035 BXZHWNSGEONEJQ-IBGZPJMESA-N 440.548 2.311 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1359308010 ALYUUYYGDCLSHA-UHFFFAOYSA-N 433.578 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359331628 DSIHCCHWDGFFFQ-RBUKOAKNSA-N 438.594 2.373 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1359342593 AUZACONVQCLBAB-INIZCTEOSA-N 438.623 2.086 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1359472924 TVAWEKNWGHZSHS-CYBMUJFWSA-N 431.497 2.126 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(Cl)nc2)CCOC1 1360347438 IDCIBPYLBKPKSL-JXFKEZNVSA-N 432.912 2.144 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1360355850 HTRZHKGMLYJJJL-GOSISDBHSA-N 444.561 2.151 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cn2cccn2)cc1 1360480831 HPXAFNAGIMIVLP-GOSISDBHSA-N 432.532 2.432 30 10 IEEE COCCn1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc1=O 1442620033 WEIURBJVYVRKQO-JXORXQGFSA-N 430.505 2.220 30 10 IEEE N#CC1(C(=O)NC[C@@H](O)COc2ccc(I)cc2)CCSCC1 1445803943 RYZHAZYBCQEPTP-CYBMUJFWSA-N 446.310 2.184 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1454205542 PFNVTPNKPMDEQX-HOCLYGCPSA-N 433.509 2.489 30 10 IEEE C=CCOC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC 1467515538 RSMXPUARZGZLTM-NRFANRHFSA-N 438.480 2.386 30 10 IEEE C#CCN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1472779438 NMKNZCMUDVCLQA-UHFFFAOYSA-N 428.514 2.171 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1507613016 WTBQCHXMQFGVFZ-UHFFFAOYSA-N 435.532 2.003 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507630646 DYWXVVGNPZYPRR-FQEVSTJZSA-N 445.564 2.053 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCOC)cc2)CC1 1507731840 QOFHFJFVCXASGT-NRFANRHFSA-N 439.560 2.001 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1508091610 VPVRTYHKWWJWOV-SFTDATJTSA-N 438.576 2.185 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1[C@@H]1C[C@H]1C 1510190996 FBOAXSRHFJHWOI-ZRGWGRIASA-N 444.561 2.389 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(N)=O)CCCC1 1513030061 QUYOSHQBOCLJLW-QGZVFWFLSA-N 436.564 2.431 30 10 IEEE CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1514727787 ZXNBLQNDGMPXHH-DPPKGPFUSA-N 428.537 2.325 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1516932322 XQRHORWXOPNZLJ-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)C[C@@H]1C 1517703028 WNRIDQCTZLTSPJ-JXFKEZNVSA-N 437.548 2.434 30 10 IEEE COCC1=CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1518816804 DUQZCUFVRRTVBK-XDOYNYLZSA-N 434.500 2.254 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1518971338 DOYHYXAXYFEBPV-IERDGZPVSA-N 431.562 2.458 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)SC 1519324217 WNNWRLMSEHPMKT-IRXDYDNUSA-N 445.593 2.347 30 10 IEEE N#CCCn1ccc(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)n1 1530309864 UZAHNPJGERKZNQ-UHFFFAOYSA-N 429.278 2.269 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 1538301664 HBPFLFJQSJOTGB-OAHLLOKOSA-N 448.423 2.265 30 10 IEEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1539052390 DLVACCAMAVDUCX-LPHOPBHVSA-N 429.496 2.312 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539077418 BDMZCPWCVYYMEN-UHFFFAOYSA-N 435.619 2.500 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1539222132 TVUUQCNWOCVAMR-IAGOWNOFSA-N 426.608 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539338600 XNRVCLPEQPELEW-HXUWFJFHSA-N 426.542 2.185 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2ccnc2C)CC1 1539462812 ZTHUSQWFRDRQOE-UHFFFAOYSA-N 437.523 2.347 30 10 IEEE C=CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1)C1CC1 1540103688 DLSJLWDITWAWOF-UHFFFAOYSA-N 433.516 2.405 30 10 IEEE C=C[C@](C)(O)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1540717881 XJHJSEDGTNNQLT-ATEOEAFZSA-N 442.440 2.386 30 10 IEEE C=CCn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861070 AHGAIRAATASXDO-VGSWGCGISA-N 445.568 2.333 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)C1 1540891981 CNAHSACQSWNEEB-ZACQAIPSSA-N 426.608 2.247 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)s1 1545538488 DSTJNHWNGFVCQO-ZDUSSCGKSA-N 440.978 2.198 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1547311705 FJVTVNYTHXLEJB-GOSISDBHSA-N 434.504 2.371 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1554297847 SHVNVPHCROJOKK-UHFFFAOYSA-N 434.548 2.262 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C(C)(C)C 1555741281 NYAKAGAFFRGNET-IRXDYDNUSA-N 432.569 2.294 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)cc1 1555989092 YJNVSQSUVYZZHT-QGZVFWFLSA-N 447.465 2.170 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1558227681 XUHHOUXKJFXJEK-IBGZPJMESA-N 441.532 2.018 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cs1)C(N)=O 1558465399 DZTUUWCASZJOGI-HOCLYGCPSA-N 444.586 2.411 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1564790841 SVFXHMQVSGZPKN-HBLJDGLJSA-N 437.537 2.208 30 10 IEEE COC(=O)Cn1nc(C)c(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1C 1567155089 SZYZLZVPIJRKEC-QGZVFWFLSA-N 435.525 2.266 30 10 IEEE Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1C#N 1584104183 FWAMYLAYPFPWQV-SFHVURJKSA-N 439.493 2.120 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587847010 AMKCJPRBTKKIMO-XMSQKQJNSA-N 435.576 2.051 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3ccc(OCC(N)=O)cc3)C2)C1 1588300056 BVAJWSXJZLXTMN-HEOKHYPTSA-N 428.489 2.276 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N[C@H](C)CC)CC1 1588848356 CZHMDUDSMATRGH-GOSISDBHSA-N 426.540 2.068 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1588983547 AFTMOBTYUYUAMG-RDJZCZTQSA-N 444.536 2.137 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1594962905 NWHFTJQDOWMPCA-KRWDZBQOSA-N 434.562 2.452 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3sccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1595602862 SVFNKJYWFNFCII-NRFANRHFSA-N 431.562 2.245 30 10 IEEE CS(=O)(=O)c1ccccc1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1597473392 GHGOYZZVQKETNB-MRXNPFEDSA-N 445.928 2.327 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1606965866 AGAGXTZGCSAQGO-QZTJIDSGSA-N 438.598 2.320 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1619910370 HBNYPKMYCTWDAY-GOSISDBHSA-N 426.521 2.235 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c1 1626313884 RQMODMGSZCOOOK-UHFFFAOYSA-N 445.472 2.470 30 10 IEEE O=C(N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)[C@]1(F)CCS(=O)(=O)C1 1627107948 HZVQUPIVZNEUBY-BHNWBGBOSA-N 433.292 2.143 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CCOCC2)c1 1629646725 HMVPOTNGUGYYSK-WSTZPKSXSA-N 428.558 2.406 30 10 IEEE CCc1nc(CN2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1632771979 MOVVXVNYNRJYNH-INIZCTEOSA-N 434.541 2.253 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)s1 1634610235 ZOVKMVZOTVKJIC-SFHVURJKSA-N 447.582 2.375 30 10 IEEE C#CCN(CC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1)C(=O)OC(C)(C)C 1634924376 SGFJHJCINBVBQY-JJXSEGSLSA-N 443.466 2.114 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)ccc1F 1637872012 UFVKLEQMZVHKEY-LAUBAEHRSA-N 436.480 2.230 30 10 IEEE C[C@H](CC(=O)NCCc1ccc([Si](C)(C)C)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1640689859 AKMOPSPVNGEQOI-MRXNPFEDSA-N 443.645 2.408 30 10 IEEE COc1c(C)[nH]cc(CN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c1=O 1641707398 AGPFKSOUECFFOK-FXVOITISSA-N 444.532 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN(c4ccc(C#N)cc4)CC3)OC2=O)C1 1648064601 UJZSUTUMNLBQPV-IBGZPJMESA-N 426.517 2.233 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1648941416 DKQISSGALDNVDR-JOCHJYFZSA-N 432.496 2.108 30 10 IEEE N#Cc1cc([N+](=O)[O-])c(NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1F 1651376353 ITHSQOMTQGHMAM-UHFFFAOYSA-N 434.449 2.380 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCc2ccccc2CN2CCCC2=O)C1 1659719761 HUNIGXSYSDDCKU-RUZDIDTESA-N 431.540 2.378 30 10 IEEE Cc1nn(C)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 1662103993 AUMMRVPNDIZNTB-QWRGUYRKSA-N 427.303 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN(C)Cc1ccc(F)cc1 1690015495 OBIXVRVRTKFCSG-UHFFFAOYSA-N 448.502 2.350 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(O)(CC)CC)CC1 1690113695 QSHMNNUYIXAXCE-UHFFFAOYSA-N 449.397 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccco2)CC1 1690252776 ISQRDNQURTYBRD-PXNSSMCTSA-N 429.521 2.351 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690311774 TZFDJMRQISWHTG-WOJBJXKFSA-N 429.569 2.500 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1690442033 LGCBCKOFXKIYFV-QXAKKESOSA-N 433.578 2.473 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690506566 RSBPZIPJGXJCHW-HNNXBMFYSA-N 425.459 2.401 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1690528000 WEBZLDDTTSSJPE-KRWDZBQOSA-N 448.568 2.268 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1690601211 UFOZDJHDKCFGHL-HNNXBMFYSA-N 429.529 2.100 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690749078 QJRBQXYDEOLTJV-HXUWFJFHSA-N 428.606 2.484 30 10 IEEE C=CCSCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1690752670 NSHSAYFBHNHIJU-JXFKEZNVSA-N 439.582 2.126 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(C)(C)O 1692535960 FPAKCLMGSRKODC-UHFFFAOYSA-N 445.955 2.039 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1692571471 DJJQXHKLFXEXLJ-HOTGVXAUSA-N 448.618 2.475 30 10 IEEE CCOCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696406981 JMFODFFZENPHIG-IBGZPJMESA-N 425.537 2.192 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1705559412 AGDIVRLCIFKUFA-WBVHZDCISA-N 432.546 2.181 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@H]1C 1705607048 OKDKUYRKUGUXKT-VGOFRKELSA-N 445.589 2.206 30 10 IEEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705808743 BCQRXBPXXXWJRY-QGZVFWFLSA-N 426.521 2.436 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1705820044 ZJWDUTXQKKVLBO-MRXNPFEDSA-N 436.607 2.238 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CCN(C)C)CC2)C1 1705918388 IIVCKKKEEKYBOR-OAQYLSRUSA-N 439.608 2.395 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC[C@H]2C)C1 1705928254 CFLUIUKBMZANRL-UXHICEINSA-N 430.597 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)CC[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1705938544 BOVIIMPSQGFWET-UWVAXJGDSA-N 426.583 2.156 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1706462582 GSEBGHJNFAEKNU-KRWDZBQOSA-N 427.509 2.107 30 10 IEEE CC(C)NC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706648201 CHUCPXCSWOPVFF-UHFFFAOYSA-N 436.564 2.129 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1710825496 KKBQDTORFKVRIM-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(C#N)CC1 1711017557 ROZRWWNESABCGW-UHFFFAOYSA-N 437.548 2.437 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1711793650 DXAJDIZUTMAYRZ-HKUYNNGSSA-N 445.589 2.493 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1712169539 XRRQOAWWBJVBSL-FPOVZHCZSA-N 442.539 2.350 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)n1 1712343597 MGWLKRIYUPIJPV-INIZCTEOSA-N 437.504 2.452 30 10 IEEE COCCOCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712617441 FMKYJKFEGGNECV-OAQYLSRUSA-N 434.500 2.453 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1722295704 VIPANCQPALEKCG-CVEARBPZSA-N 428.541 2.027 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2ccccn2)c1 1722305433 HJHIAJJPFGRCAB-UHFFFAOYSA-N 445.527 2.110 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722406213 VPLQACNELHTJFL-QFBILLFUSA-N 429.487 2.274 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722559497 ZNOUAGQPWCHBSK-SFHVURJKSA-N 440.523 2.154 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1722599770 IYTFUHQAQOBEEA-AWEZNQCLSA-N 437.570 2.320 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1722628889 JUNVPKLEUXRDLQ-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1722688702 JFGKFHMMEQMKOH-QGZVFWFLSA-N 447.543 2.196 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722696370 KLTCJSABHAQMDT-UHFFFAOYSA-N 436.541 2.271 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722701212 JLIIMEYNNAKINJ-CKJXQJPGSA-N 431.562 2.005 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(N(C)C)nc2)CCOC1 1722863248 IZTXBSTVDNOAER-JTSKRJEESA-N 427.553 2.424 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCC1 1722865284 GNCDABNGBBGFBG-AWEZNQCLSA-N 431.518 2.237 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(C)c(OC)c1 1730878465 VONFQCDRSLDJEJ-MJGOQNOKSA-N 429.521 2.291 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccs2)C1 1731181565 IBYXVEZARPDGFS-HXUWFJFHSA-N 425.493 2.197 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cncn1 1740553983 VRMRTFHCZDXLQT-INIZCTEOSA-N 428.541 2.142 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(SC)c1 1740608915 JNQCOUSTODTSEM-UHFFFAOYSA-N 431.525 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1740723415 OXSQIDVYQBAEER-LJQANCHMSA-N 446.353 2.165 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1740789323 BUKYPRJIFPTNNB-UHFFFAOYSA-N 444.536 2.016 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)c1ccccc1 1740796828 FLPIVNNSWQEQQH-UWJYYQICSA-N 431.562 2.219 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1741132934 LKWWECBXKNWHEY-ANNUQZOISA-N 437.479 2.130 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1743857513 CZVLVFJMSKLOPZ-QFBILLFUSA-N 430.578 2.170 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1746646043 CBCGNYAXSWNZTM-HTAPYJJXSA-N 432.569 2.317 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCCO 1747707308 PRSLIJCGLIHNFZ-LJQANCHMSA-N 431.562 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1748882824 HQTFZJVBHZTGEZ-QHCPKHFHSA-N 443.555 2.043 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@](C)(O)CCOC)CC1 1748985039 ZZPXAMXZJVRHJE-DEOSSOPVSA-N 434.544 2.036 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C)N2CCCCC2)C1 1749718314 UZTZDUUMPZQJKB-PMACEKPBSA-N 430.597 2.446 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749740257 BUONEPUYOMLGSX-UHFFFAOYSA-N 441.605 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1749740842 ZDKWPOHECCJMQW-HNNXBMFYSA-N 441.598 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C)CC1 1749740971 LWSSZTGTIBIFIY-BZSNNMDCSA-N 426.583 2.229 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCCOCC(F)F)CC1 1750384555 DNZGPVQKSCKYKW-QGZVFWFLSA-N 447.490 2.047 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1751095294 CBZZQLNSOMJHBI-WBVHZDCISA-N 444.540 2.107 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCCC1=O 1760220978 ICNFQBHNIAONFH-UHFFFAOYSA-N 443.555 2.382 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760234477 XFKLWZYOPFEACA-KRWDZBQOSA-N 432.546 2.114 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760247733 MZMWXKLCVTZEBO-KRWDZBQOSA-N 443.552 2.324 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760355193 AZBCMENUWVZICX-SFHVURJKSA-N 427.553 2.017 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1760398312 UAPONQGIFXGRMD-NRFANRHFSA-N 438.594 2.300 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760442342 NJQWFFPQDUZJKC-HZPDHXFCSA-N 428.562 2.483 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760446869 GBMZNYCTQCOTBX-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760528220 WCVQUSDQFQFDLS-ROUUACIJSA-N 445.589 2.421 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cncn2)C1 1760534754 FWXZXCCCFFNHEG-LJQANCHMSA-N 436.520 2.220 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1761271539 NTIZIMHSWBQULI-IBGZPJMESA-N 446.577 2.008 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1763721548 ANXUTMRGHFHXAR-WMZHIEFXSA-N 437.548 2.408 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1766661429 SBNSCQNZKRCWRM-DPPKGPFUSA-N 429.569 2.096 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1766867862 FSENWCPHRJLNJL-RBUKOAKNSA-N 438.532 2.070 30 10 IEEE CCNC(=O)C1(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1767200618 VQJRFQVXOWCPDI-HTAPYJJXSA-N 432.569 2.221 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)c1 1770304686 YCJZDNIRGRUUDT-FUHWJXTLSA-N 426.521 2.207 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770712564 UQMOBYVMMBBXAD-IBGZPJMESA-N 439.564 2.438 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSCCCO)C1 1770730634 BKLXZRCNCCJQST-FQEVSTJZSA-N 429.525 2.074 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1771039426 COBMNKKXGOSBNK-NRFANRHFSA-N 449.563 2.218 30 10 IEEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2)c(C#N)cc1C#N 1851054711 MKHPYPYIGQBEMD-HNNXBMFYSA-N 443.385 2.261 30 10 IEEE COc1cccc(C#N)c1OCC(=O)O[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1 1852369230 QFOZUQCEVFOZAU-KRWDZBQOSA-N 430.482 2.261 30 10 IEEE Cc1nc(N2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)cc(C(F)(F)F)n1 1852918876 DFTIDSCHDSNXAA-UHFFFAOYSA-N 433.390 2.296 30 10 IEEE CC(C)C[C@@H](CC(F)(F)F)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854419273 ZETQGMPGTUJLJH-AWEZNQCLSA-N 437.484 2.438 30 10 IEEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2)CC1 1855866838 GGJONFZJFMGKOF-SJORKVTESA-N 428.920 2.304 30 10 IEEE CCCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1857027069 UPCSHPOPGGXEOB-HXUWFJFHSA-N 431.558 2.318 30 10 IEEE COc1ccc(/C=C/C(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 1860634346 PGLAGAGQXBOLTQ-ZZXKWVIFSA-N 438.480 2.359 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862599991 IZZKRCQSZJKCOW-SFHVURJKSA-N 429.425 2.076 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(CC)nn2CC 1864327234 QPTWHAYQJYXTAN-KBXCAEBGSA-N 426.517 2.222 30 10 IEEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868781845 BFWFGOFHWFCLRF-QFBILLFUSA-N 431.606 2.082 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOC)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871654340 SUPFYYDOTYCICY-UHFFFAOYSA-N 438.580 2.026 30 10 IEEE COc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)cc1O 1874298854 WJHAUAMHPVAHKK-UDWIEESQSA-N 429.458 2.458 30 10 IEEE CCN(CC)CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1889739114 HNCOJTQCUARBGM-UHFFFAOYSA-N 425.982 2.202 30 10 IEEE COc1cccc(N2C[C@@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)CC2=O)c1 1891401241 JXLCTNOBNTVRSS-KRWDZBQOSA-N 435.484 2.027 30 10 IEEE COCCN(CCC#N)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2010468543 MIFILPQBEJYENT-SFHVURJKSA-N 433.505 2.402 30 10 IEEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(F)(F)F 2010507415 GOBJDKHJYBLQHT-CZUORRHYSA-N 436.356 2.222 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C[C@H](CO)C1 2073620212 SXEANVZRWDSYOD-HWPIUKBRSA-N 436.358 2.203 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124532780 MLLREORYPXLENV-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCOC1 2141678183 MNFSTCZWIXEFRW-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CN1C[C@@H](C(=O)Nc2ccc(C#N)cc2Br)N(C(=O)OC(C)(C)C)CC1=O 2181147249 KOBRUJOKBRFRCX-AWEZNQCLSA-N 437.294 2.337 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229114141 NFUXAGISKFCRDQ-GDBMZVCRSA-N 425.323 2.385 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2235723578 ULTOBXNYQKAABS-FUHIMQAGSA-N 439.350 2.433 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2243405306 DIHABKMXBMHURB-UHFFFAOYSA-N 437.305 2.132 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(NC(=O)OC(C)(C)C)C1 2247822206 COHDKPLILIBPKP-UHFFFAOYSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248405833 TXXYRDMNISMBGN-UHFFFAOYSA-N 441.334 2.018 30 10 IEEE COc1ccc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255599144 WDDJCIWFUDJYLW-DLBZAZTESA-N 432.326 2.390 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)n1 2255636299 RXEUPGLMSNOVGK-QGZVFWFLSA-N 426.370 2.453 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255829804 VTMFTRBXEFJMGS-HUUCEWRRSA-N 432.326 2.482 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CN(C)Cc1ccccc1 2255833997 KDIACZRRMOOSKX-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2256024453 VSENCQJPQOJZTM-QZTJIDSGSA-N 433.358 2.350 30 10 IEEE C[C@@H](COCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2256654162 NKPNSXKICJLIKA-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)CC(O)C1 2256675741 IYUAUDPPDYDCOZ-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256921734 ACRKEFZNUQIDQO-YOEHRIQHSA-N 429.278 2.367 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2267136196 ITNHZLBBADKMEK-MRXNPFEDSA-N 446.307 2.349 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267150459 DTUYMFDJXOVFCF-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267186641 MKQQCQVTYDVGPB-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2267278530 DDTQJQSEWXJYGH-UXHICEINSA-N 438.333 2.485 30 10 IEEE Cn1cc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267503727 IFUSHVFYIVOIDC-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 2267524615 SIOQQSZKMLASIR-HUUCEWRRSA-N 448.373 2.330 30 10 IEEE C[C@@H](NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267578067 GXXUKEQITSMCBB-OAHLLOKOSA-N 446.353 2.086 30 10 IEEE CO[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2268725453 WHVGHCKDBBXUEV-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2269706398 YSVFVTICWIPDHC-VQFNDLOPSA-N 443.353 2.284 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277726126 YUITWZUZIIQBHU-VIFPVBQESA-N 425.287 2.287 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2305240666 JPXFIDSFAWZNRR-SFYKDHMMSA-N 428.533 2.454 30 10 IEEE C=CCN(CC(=C)Br)[C@@H](CN)c1cc(I)nn1C 2314322622 KZYUCDBKENGSMY-NSHDSACASA-N 425.112 2.421 30 10 IEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccccc2Br)cc1 2325713829 YVWYXVNNTBLYDG-UHFFFAOYSA-N 437.315 2.038 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)c(OC)c1 2331273509 IFUOTQGOUGSENM-UHFFFAOYSA-N 448.530 2.251 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2340776514 YLGCZFOHETYTKB-XLOAEROZSA-N 446.357 2.228 30 10 IEEE COc1ccccc1CNC(=O)CSc1n[nH]c(N/N=C/c2cnn(C(C)C)c2)n1 20910317 HOWZDBSMPBTVTB-ODCIPOBUSA-N 428.522 2.445 30 10 IEEE Cc1ccc2c(c1)/C(=N/N=C1\NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S1)C(=O)N2 39843485 BIIIRRXHDJZAHW-OAHLLOKOSA-N 425.445 2.407 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(N3CCc4ccccc43)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 101422865 DQZXRODKJFWRBM-HNAYVOBHSA-N 441.447 2.459 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 102741669 UWCFIGCVNQJRRU-HQMFNGAOSA-N 444.919 2.434 30 10 IEEE C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)COC(C)=O 118938698 DEFOZIFYUBUHHU-LDBGNEBASA-N 432.488 2.387 30 10 IEEE COCCNC(=S)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254591180 LMUAKFYWHDIHGJ-UHFFFAOYSA-N 447.513 2.376 30 10 IEEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1=O 437823113 QHJGUKXBEOFQAE-DFBGVHRSSA-N 428.543 2.833 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@H]1CCCO1 461348948 VPHHSMMBRXMBJQ-WMLDXEAASA-N 444.528 2.355 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)cc1 461370857 JXVZTBSUDWVUOW-UHFFFAOYSA-N 447.560 2.382 30 10 IEEE Cc1cc(NC(=O)CSCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)no1 482546585 ADXYCDLVPYQGRS-UHFFFAOYSA-N 427.530 2.329 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)C2=O)cc1 485984597 BHYRQOANNMRWFM-OXQOHEQNSA-N 438.434 2.107 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c1 489746481 ZTRPQEPRPDLDGS-IBGZPJMESA-N 431.489 2.168 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508490120 AXMBDNJEYMLEHD-GFCCVEGCSA-N 428.356 2.103 30 10 IEEE COCCN(CCOC)C1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 512831077 BAPGPHSJHYIJDY-MRXNPFEDSA-N 434.606 2.495 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 515649455 PKGASMVYFYZAMM-HNNXBMFYSA-N 426.519 2.438 30 10 IEEE N#Cc1ccccc1N1C(=O)C(Sc2ccccc2)=C(N2CCN(CCO)CC2)C1=O 526682507 FVQOOMFYFXEOSU-UHFFFAOYSA-N 434.521 2.045 30 10 IEEE C[C@@](NCCS(=O)(=O)c1cccc(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 532827501 BPRANBIMJMPDCZ-SFHVURJKSA-N 425.432 2.341 30 10 IEEE C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnn2)cc1 535171449 DLTMJUJRQJYDFX-QRWLVFNGSA-N 443.467 2.221 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccccc2)c1=O 540867640 IUFZVKXZSNLHQS-UHFFFAOYSA-N 435.524 2.433 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 549669505 JQTAIKAQZDLPTR-PKOBYXMFSA-N 449.552 2.320 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cn1 554910161 DUUJTMQMYSMUDO-LJQANCHMSA-N 429.484 2.494 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@@H]1c1cncn1C 557472623 NFRKIXRNZQXQKW-JBYIUTFZSA-N 436.516 2.056 30 10 IEEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)o1 563481485 PFASSJBJPCKCGS-UHFFFAOYSA-N 429.498 2.370 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(F)cc1 603788585 LCKXAVHWFXCSGR-UHFFFAOYSA-N 437.471 2.303 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 606017174 XYCCMUAXBKFEIL-UHFFFAOYSA-N 432.484 2.494 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1 609152900 HDSATEXZCZTFCQ-AWEZNQCLSA-N 433.472 2.376 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@H]1CCOC1 676727288 SPIJIHKEJUDWIS-GFCCVEGCSA-N 448.466 2.236 30 10 IEEE COc1ncccc1CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 726105952 FZZAVFKXAGLLLL-IWZUTMLHSA-N 439.541 2.197 30 10 IEEE NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cscn2)cc1 726402864 UIIFGTPXFQIBIQ-HNNXBMFYSA-N 429.527 2.042 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc4c(c3)CCCN4C)cc2)CC1 727971204 PYLJSJLLNGBABQ-UHFFFAOYSA-N 427.574 2.451 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 730827852 NSLNIDSOEXTTQU-XFQXTVEOSA-N 425.529 2.436 30 10 IEEE C[C@@H](COc1cccc(C#N)c1)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 733862437 XWLZGHSGEBMQOJ-NYHFZMIOSA-N 433.464 2.344 30 10 IEEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 741339117 AZERIGMNCJGXLZ-DUUUWJQVSA-N 441.362 2.372 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)ccc1F 748777841 JTXHFMGQFCLYHY-OAHLLOKOSA-N 439.553 2.303 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)C(=O)C2)c1 748945999 TXHCHSHUDRFCKC-FCDQGJHFSA-N 447.561 2.118 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)ncn1 756868905 RSOKVGQQZRMUDS-SFHVURJKSA-N 444.536 2.124 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 766973892 AOXDTUYVOFHECF-QGZVFWFLSA-N 441.509 2.432 30 10 IEEE Cc1ccc(N(C(=O)COC(=O)c2cc(C#N)cn2C)[C@@H]2C=CS(=O)(=O)C2)cc1C 770033225 OXNMPMKMINCRAQ-GOSISDBHSA-N 427.482 2.014 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CC(C)C 772897492 HYLZAVXBDNVDDL-UHFFFAOYSA-N 446.642 2.496 30 10 IEEE CCOc1ccccc1S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 775301333 SRZAQHZQCXIBSL-UHFFFAOYSA-N 427.486 2.054 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccc(Cl)cn2)C1=O 775658841 UHPCVFPQGWTMSH-OAHLLOKOSA-N 431.905 2.102 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 782534153 CXWUTIMURCXPTN-QUCCMNQESA-N 436.478 2.410 30 10 IEEE COc1ccc2c(c1)C=C(S(=O)(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CC2 788077018 HNMXFYNTEGYCSJ-UHFFFAOYSA-N 427.530 2.048 30 10 IEEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2cc(C#N)oc2C)c1F 797959430 NSQGHTBWSPKJRG-UHFFFAOYSA-N 445.222 2.267 30 10 IEEE C[C@@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)n1cnc(C#N)n1 798353875 PGDAAGSCUPMHFA-ZDUSSCGKSA-N 429.433 2.281 30 10 IEEE C#C[C@H](C)Oc1ccc(COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 802807740 ATZJKWMAVVSPRO-HNNXBMFYSA-N 432.454 2.407 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 805588671 BYPYTBFHNHJXQR-JQHSSLGASA-N 445.491 2.257 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 916178911 UKVLILZIFCUJLL-UHFFFAOYSA-N 429.542 2.227 30 10 IEEE COc1ccc(CSCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1[N+](=O)[O-] 916776058 QBVHPUKBZVOWOG-UHFFFAOYSA-N 435.483 2.354 30 10 IEEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1ccccc1Cl 1084035044 NLEAGYVACWQICP-UHFFFAOYSA-N 433.881 2.233 30 10 IEEE CC(C)(C#N)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1131460257 IJEYFKWWTQKPQW-MOPGFXCFSA-N 440.500 2.369 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c1 1136476257 LPQMWORVLNDDJG-UHFFFAOYSA-N 441.509 2.205 30 10 IEEE C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1150671560 HNBMRENGCJHCNZ-KSSFIOAISA-N 435.546 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(c4nnc(O)o4)CC3)C2)C1 1157659300 CVWKEXHCMVYPFB-DBWCEAHUSA-N 431.493 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1225937231 IIIADIZOLHGWLJ-SMLCLMEVSA-N 449.552 2.158 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1286324233 LWRPJFDPCNHDPU-SFHVURJKSA-N 425.512 2.284 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1286346242 XKZAEZMCLMEHNG-UHFFFAOYSA-N 436.911 2.358 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1286388452 PHBWYJWCGRBBPW-CRAIPNDOSA-N 429.571 2.195 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1286397272 YQBYRKBROFXPCD-ZWKOTPCHSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCS(=O)(=O)C1 1286416947 ZWALPLUQHOSTAC-LJQANCHMSA-N 435.553 2.179 30 10 IEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286775104 ADMSCMOTJJLABM-HXUWFJFHSA-N 438.532 2.025 30 10 IEEE CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1286944441 CJMPZIDOIPQELS-KDOFPFPSSA-N 432.912 2.326 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1286970688 DLKVCQAZLRIMJV-FJIDUMEYSA-N 448.568 2.486 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 1290342946 JRGAQBLSNVNPDP-HNNXBMFYSA-N 448.264 2.414 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1295174086 CCZDEDBALKVXMO-RTBURBONSA-N 429.546 2.255 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N1CCOCC1 1300444133 RSCXTJGHLQGTEE-UHFFFAOYSA-N 438.351 2.087 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](CC)NC(=O)OC(C)(C)C 1300553778 SAVJXGTWUXNFGC-FHWLQOOXSA-N 445.564 2.378 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(CC)C1 1300664429 BSIMRMLSCQCDQV-GOSISDBHSA-N 425.533 2.144 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300762913 RSBVWGUTRJYTHV-KRWDZBQOSA-N 434.587 2.188 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCS(=O)(=O)CC 1300886485 XYXKWMZTLBOAOE-BZSNNMDCSA-N 426.583 2.372 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1300892954 WRVHWCNJSLNOLA-UZKOGDIHSA-N 441.580 2.178 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301047408 HIBAEXQWYNWTAO-UHFFFAOYSA-N 438.985 2.267 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1OC 1301508417 KQBWKSWGYALKMF-UHFFFAOYSA-N 445.527 2.464 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@H](C)c2cccc(O)c2)nnc1[C@]1(OCC)CCOC1 1301520301 WHYSPDAFLSHCCV-ZHRRBRCNSA-N 429.521 2.135 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@H]4NC(=O)NC4=O)cc3)CC2=O)cc1Cl 1301561227 AXADUGLAWSMRAF-SCLBCKFNSA-N 437.843 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CC)C1 1301593722 SSJVFRNFPZSSNQ-HNNXBMFYSA-N 437.591 2.107 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCO2)C1 1302290886 WWVPTWXOUAZPIU-MHORFTMASA-N 446.552 2.347 30 10 IEEE C[S@](=O)C1(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)CC1 1302510027 ATSTVCMAHZFRSF-PMERELPUSA-N 427.578 2.080 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1303940208 VLYYYTQWEONWIK-MGPUTAFESA-N 427.534 2.049 30 10 IEEE C#CCN1CCC(NC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CC1 1311332774 CMIHPEJTFKRDQT-MRXNPFEDSA-N 428.537 2.420 30 10 IEEE CCCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1=O 1313447630 UKIAUCHMCXUBJF-UHFFFAOYSA-N 436.520 2.101 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1313589491 DQAGIZGXQAGLPU-SFHVURJKSA-N 440.529 2.483 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@H]1C 1313859381 GPABYGQVHJRRPY-SJORKVTESA-N 430.578 2.170 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1314670760 NGJUQSIEACYLDY-OAQYLSRUSA-N 434.548 2.470 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)Br 1314918178 WVJGZFWTKWDEJS-CYBMUJFWSA-N 440.296 2.448 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCOCC(F)F)c1 1316529855 REHYHMQYOLEECR-NRFANRHFSA-N 430.459 2.205 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@H]1CCCO1 1323284030 YHYCIFXVLDEHCT-HXUWFJFHSA-N 434.561 2.450 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358892898 JPZXADYNVCDKOJ-GHTZIAJQSA-N 440.567 2.409 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCCOC)CC1 1358931872 QZDHQBDOBHWWOF-UHFFFAOYSA-N 427.524 2.400 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358965892 DCILESJVZGRWEL-KSSFIOAISA-N 431.562 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1358976130 RJIGKVFGHVOTKP-SFHVURJKSA-N 435.532 2.455 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1359272493 UMLJGPAKXZCPTJ-MSOLQXFVSA-N 430.578 2.441 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@@H](O)C2)C1 1359312677 ZGNCWINUYIGQQU-RCCFBDPRSA-N 426.521 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(F)c2)C1 1359320646 SZCOOCMQFMLQAW-SJLPKXTDSA-N 429.496 2.401 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1359343412 SHJZATWAJPIHAE-QGZVFWFLSA-N 441.667 2.410 30 10 IEEE C#CCN(C(=O)[C@]1(F)CCS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 1435176733 XANFGLUJLKONNW-YOEHRIQHSA-N 430.295 2.261 30 10 IEEE N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=NCc1cn(CC(F)(F)F)c(=O)nc1O 1458615581 RZDWEDHYSPMOGO-UHFFFAOYSA-N 429.280 2.382 30 10 IEEE CCC1(N2CCC2)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1460792970 JZWDZEZWEMKBCA-QFIPXVFZSA-N 427.568 2.485 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1462743335 GHEJCTKCFIJBMF-UHFFFAOYSA-N 431.489 2.284 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)NCCC(N)=O 1464766198 CKZNZPSHQCJGGX-OAHLLOKOSA-N 438.912 2.266 30 10 IEEE CS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1471300112 ICYREAYEZKFJII-UHFFFAOYSA-N 430.505 2.175 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 1471937233 GSJRJZCBVLWRCD-ROUUACIJSA-N 447.601 2.189 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC2(C1)OCCO2 1496790924 SBKXMRLGSOQJQQ-QGZVFWFLSA-N 430.553 2.480 30 10 IEEE CCOc1ccccc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1502891658 AAIOHDNNSCRCOH-SFHVURJKSA-N 447.499 2.296 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(C2CC2)C1 1503603489 PIXJTLFGFFTNEM-SFHVURJKSA-N 442.589 2.172 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CC1 1504540112 XJPMGJIMGHDWAV-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504615686 TYFOOLBNAXVXAM-SJLPKXTDSA-N 432.475 2.157 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507603617 CPPXDDIPHKIKQH-QFIPXVFZSA-N 426.521 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCC(OC)CC1 1507669233 JYSPFNSJRDBDJU-IOJLRTSASA-N 432.590 2.238 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)SC)CC1 1507718159 LZVMXKWLSYJBQO-MRXNPFEDSA-N 445.589 2.478 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1507763628 FBAKHXUWOIOHOR-MGPUTAFESA-N 435.525 2.099 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCN(C)C2)C1 1508131069 YIRAJHGQCRTFAV-FZONSQQESA-N 433.597 2.045 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1509947534 WENYHWCIXQGBMY-RYRKJORJSA-N 431.566 2.216 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CC(=O)N1C 1512417852 BMLOTQNDKJSSKK-FXAWDEMLSA-N 438.532 2.069 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1512726615 DNEGKNMEPFZNOF-KEQGGVEFSA-N 426.521 2.462 30 10 IEEE COc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1518304866 BNAAWQRCEFXXOD-CJNGLKHVSA-N 435.431 2.169 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCSC1 1519158346 DDFGGCLDFCUTGY-IBGZPJMESA-N 432.506 2.088 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cc3noc4ccc(Br)cc34)CC2)c1C#N 1522364451 XMIIFNPVVXTJTR-UHFFFAOYSA-N 443.305 2.395 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C2CC2)n1 1528155058 RLVYNEZXEAXUFK-UHFFFAOYSA-N 444.488 2.231 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)c2)c1 1532170413 CJULTHRTNXGUQV-JOCHJYFZSA-N 426.494 2.283 30 10 IEEE CC(=O)N[C@H](C(=O)N1CC(=O)Nc2ccc(C#N)cc21)c1cccc(Br)c1 1535158774 AANHGRKXBABJIA-SFHVURJKSA-N 427.258 2.483 30 10 IEEE C#CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2CC)[C@H]1CCS(=O)(=O)C1 1537473630 FATYJUAHDOKIKA-AWEZNQCLSA-N 428.539 2.442 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1539438357 VTPKLMKYPQRDGO-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539916363 KLJMELXPNZHQHI-MRXNPFEDSA-N 430.553 2.295 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1cnc2c(Cl)cnn2c1 1540196279 WSLMWOBBQNUPPX-UHFFFAOYSA-N 441.927 2.256 30 10 IEEE C=CCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1540860781 KYDXNDFMOZVRTI-HSZRJFAPSA-N 425.533 2.469 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1540912696 AXXYCERDLDRAIH-UHFFFAOYSA-N 446.577 2.230 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(O)c2)CC1 1540920384 WDOJCQTZLAGPRH-UHFFFAOYSA-N 442.589 2.352 30 10 IEEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1541278167 ZHACXXIFCDOECM-HSALFYBXSA-N 449.559 2.135 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCSCC1 1541455494 ZBJCLDQPCPCHLQ-UHFFFAOYSA-N 427.578 2.060 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C\CN2CCOCC2)cc1 1542161419 BNXGYPCHCGAETI-BZBXEHBWSA-N 434.562 2.107 30 10 IEEE CCC(O)(CC)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1546042964 DJJGWFVFRWSMAH-WMZHIEFXSA-N 446.596 2.046 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1548280694 OUGGWWBSKUCSEI-UHFFFAOYSA-N 434.548 2.180 30 10 IEEE N#Cc1ccc(N2CC[C@@]3(CO)CN(C(=O)Cn4cccn4)C[C@H]3C2)cc1C(F)(F)F 1548366383 IAHKMBIJWPLLIS-UZLBHIALSA-N 433.434 2.121 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC[C@H]1C 1555189443 WKMYBCMNSWCSQJ-UZLBHIALSA-N 426.521 2.116 30 10 IEEE C#CCN(C(=O)Nc1nn(C)cc1C(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1562556976 YFQWIHTUXKXXKY-UHFFFAOYSA-N 433.509 2.463 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1587803480 CIKYJDMWMMQMGV-LJQANCHMSA-N 435.532 2.117 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1588800220 BEGJYWVWFCVFSR-UHFFFAOYSA-N 447.509 2.370 30 10 IEEE C=C(C)Cn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OCC)CCOC1 1593683677 NXUCPOARMGYSID-VGSWGCGISA-N 445.568 2.335 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C 1594627587 VVWSIVGBWOPLRU-BBWFWOEESA-N 443.639 2.298 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1594839803 UOFDORXKUIHWPG-IAGOWNOFSA-N 427.553 2.435 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1595723142 RXLQSUTYBVAAPD-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3nc(Br)sc3Cl)CC2)c1C#N 1616431244 XNVOAOPIOMZYHY-UHFFFAOYSA-N 429.731 2.435 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1618120709 VIFYJWMYGMUXKG-CVDCTZTESA-N 441.532 2.397 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1)OC 1619598123 GGFZSOGLXPWKLP-HXUWFJFHSA-N 440.548 2.219 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)N1CCOCC1 1620002708 WOVKALDJCITBCO-PGRDOPGGSA-N 434.585 2.243 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1624893026 BEUBCDDCYYCZDQ-QGZVFWFLSA-N 443.525 2.312 30 10 IEEE C#CCN(C)CCCNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1625360539 ZJRNDPGWFIKJTG-UHFFFAOYSA-N 447.535 2.054 30 10 IEEE O=C1[C@H](NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)CCCN1O 1628547992 NQAFGIHCDJFIOI-OAHLLOKOSA-N 429.286 2.424 30 10 IEEE C=C(C)[C@@H](CC(=O)N1CCN(c2ncc(I)cn2)CC1)OCC 1631573434 RRSDBGHEMKFHEX-CQSZACIVSA-N 430.290 2.101 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(NC(=O)N(C)C)c2)s1 1633600689 UNIYMJXCEBRELJ-UHFFFAOYSA-N 436.559 2.165 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1 1633843718 BBNHPMCWQKBSRG-MRCUWXFGSA-N 425.466 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 1634569359 OAOUHJGBFPZXRY-GOSISDBHSA-N 448.951 2.421 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C=NOC)cc2)cc1 1635060868 LGDLQIZHOFSZSA-HNNXBMFYSA-N 427.457 2.227 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)C2)nc1 1635415452 HCCSQUGJZNDHMZ-IBGZPJMESA-N 439.541 2.358 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccccc1)C1(CO)CC=CC1 1640589512 OTELMNPAYAJSBG-NRFANRHFSA-N 439.537 2.301 30 10 IEEE CC(C)(C)OC(=O)N1Cc2sc(C(=O)N[C@H]3CCN(O)C3=O)c(Br)c2C1 1641379131 OWJQBMIQYRYKHM-VIFPVBQESA-N 446.323 2.481 30 10 IEEE N#Cc1cnn(C(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)c1N 1641560226 LXEURMZAKPMPIB-WFASDCNBSA-N 437.319 2.033 30 10 IEEE C#CCn1ccc(CN(CC)CC(=O)Nc2c(C(=O)OCC)cnn2-c2ccccc2)n1 1642953312 UGKOIGQALBRSOA-UHFFFAOYSA-N 434.500 2.339 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(F)c(F)cc3C(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1646439428 FPLAIRWHMPZESD-QKKBWIMNSA-N 430.432 2.206 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 1654479991 UGXCUEITLJBVAL-DEXQXJORSA-N 426.604 2.427 30 10 IEEE Cc1ccc(Cc2sc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)nc2C)cc1 1660310123 SFHCIMSVDPKYJA-UWJYYQICSA-N 444.582 2.159 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(=O)OC 1665501148 NFYZDRCLLKHIMT-NSHDSACASA-N 438.271 2.161 30 10 IEEE N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)C(=O)CCO4)CC2)cc1 1666227151 DUIYTBKADJEPII-UHFFFAOYSA-N 425.510 2.420 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1C)C(=O)OC 1668852295 JSXMKBSFBOPJBJ-LBPRGKRZSA-N 426.716 2.433 30 10 IEEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)O1 1683703725 RMHSLDQSFUDVRE-VABKMULXSA-N 442.560 2.127 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCN2CCOC2=O)c1 1689870482 POXUHJCHZZECKO-UHFFFAOYSA-N 447.499 2.172 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1689907524 BGRKSAFYSVIGMW-TZIWHRDSSA-N 444.624 2.258 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1689989326 DGSHMMAKSGSBHV-UYAOXDASSA-N 444.557 2.095 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1689994351 WPOVQBKPZFEDKB-KRWDZBQOSA-N 447.611 2.370 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc([C@H]2CCOC2)cn1 1690005950 FLHMCVRRDSMYCR-IBGZPJMESA-N 445.483 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CCCCC1 1690042810 DDEWVPKDTMOSER-UHFFFAOYSA-N 433.560 2.233 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2ccc(C)cc2)CC1 1690121981 AODOIEOPZQSUGA-UHFFFAOYSA-N 443.555 2.142 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)NC)CC1 1690367417 OAPCATXQCDFQHR-UHFFFAOYSA-N 440.367 2.413 30 10 IEEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690473852 JFMZBQOWQLPHJQ-UHFFFAOYSA-N 442.951 2.492 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690508296 FSZJUMMGTQTVCG-LJQANCHMSA-N 445.568 2.169 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690508598 LRKNELROSIVXCA-LJQANCHMSA-N 434.585 2.349 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)nc(N2CCCC2)c1 1690622046 GTHVBGDHPPZPIF-IBGZPJMESA-N 439.564 2.220 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690661313 ZFSKNXZHTQTQTK-WMZOPIPTSA-N 440.548 2.004 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690670987 MXJQYYPDRRHYGQ-CABCVRRESA-N 431.459 2.022 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2ccc(F)cc2C1 1690722246 BUMYFHWEEDVMPG-UHFFFAOYSA-N 428.493 2.038 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CCN1CCOC 1694923960 IAJHTTKJPNHCLX-PMACEKPBSA-N 430.528 2.348 30 10 IEEE CCOCc1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1696264870 KPZBOFXNQXPXSU-VCASGEJDSA-N 428.537 2.500 30 10 IEEE CN(C)C(=O)CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1696576767 DMFDDJJZFIFDFY-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1697776227 QBOBALRGTHGXBY-SIKLNZKXSA-N 428.512 2.102 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1698006263 QASYTIWZWSRYHO-VGOFRKELSA-N 427.505 2.149 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1698224003 ZJRAMWQAPCETQM-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)CCO1 1698492518 CWWSVSRGCZFNMZ-NEXFUWMNSA-N 426.443 2.327 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705538564 SWZNSPNAHJPPOP-QGZVFWFLSA-N 437.573 2.486 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCN(CC)CC2)CC1 1705637412 WJCADLDTFIUAJJ-UHFFFAOYSA-N 435.620 2.118 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(O)c2)CC1 1705739626 MCKMLIPPRVHWQR-UHFFFAOYSA-N 440.548 2.025 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C 1706754150 RUFXDRIIKROEQV-OAHLLOKOSA-N 441.536 2.432 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)N1CCOCC1 1708939812 FBGMPXDTSCTXFO-SFHVURJKSA-N 440.548 2.264 30 10 IEEE CCNC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c1 1710325765 BJWJXGLZFOCKCH-IBGZPJMESA-N 431.500 2.175 30 10 IEEE CCOC1CC(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1710582260 XXQGIYVLNGHDTQ-OZODEMHJSA-N 433.553 2.253 30 10 IEEE COC[C@H](F)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1712176266 WLYKMGIILGCYPX-BZUAXINKSA-N 440.520 2.167 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1712275476 OPPMPIXLBWBNBI-MJGOQNOKSA-N 438.532 2.116 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCC[C@@H]1C 1722355277 SGDPPSAHJUUKSS-HOIFWPIMSA-N 433.553 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCOC1 1722394591 XKXXRLLVNBATKV-GOSISDBHSA-N 430.512 2.082 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2CCN(C(C)=O)CC2)CC1 1722440275 HNVDKVSUTPLUCR-UHFFFAOYSA-N 448.615 2.467 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCc2nccs2)CC1 1722446041 KNRATMNKAWEXPW-UHFFFAOYSA-N 435.557 2.395 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722580186 YSLSONNZORJXDP-FQEVSTJZSA-N 441.580 2.037 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722593498 TUXKOAVQSIDPRZ-BBWFWOEESA-N 426.583 2.228 30 10 IEEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1722621197 WYVCJRWBBXRQMP-UYAOXDASSA-N 432.613 2.421 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1722690489 JJXCOFIHOCGFMM-GDBMZVCRSA-N 429.521 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722696966 VPLGBFJVDYIRPK-QGZVFWFLSA-N 435.507 2.497 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722737494 IVIMOXFPPVTZDW-UHFFFAOYSA-N 433.545 2.248 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1730401397 ALRVTVUHCNKAEO-PXNSSMCTSA-N 430.940 2.490 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCCO[C@@H](C)C1 1730931841 WTMJLBXTNSIQOE-MUGJNUQGSA-N 434.585 2.241 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCC(F)F)CC2)nc1 1731183480 QWMJEWVZOYKUEU-UHFFFAOYSA-N 428.447 2.148 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1740533911 VQJICYNFQHFSNA-KGLIPLIRSA-N 439.969 2.251 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740565183 LVMMDYFAPGYFJB-QGZVFWFLSA-N 441.536 2.402 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740623460 UORNCCHLCMRHEO-WOJBJXKFSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NC(C)C 1740631575 VGIMEYZELBVEND-UHFFFAOYSA-N 444.333 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCCO2 1740659154 VFRCADJMAWRDAR-UHFFFAOYSA-N 433.512 2.073 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1740659957 AVMJYDLNRIMYGB-HKBQPEDESA-N 436.541 2.312 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740713413 LBJUNSMLAVEENO-APWZRJJASA-N 438.561 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1cnn(C)c1 1740763443 LILKXXFCGBYPOW-WIYYLYMNSA-N 427.553 2.142 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1740766278 FJRKVNWKGRNBRU-HNNXBMFYSA-N 431.628 2.203 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1740794901 KBOLQZRXEKURST-OAQYLSRUSA-N 433.597 2.313 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1740847978 ZENZTXLNUGKVJB-MRXNPFEDSA-N 449.559 2.496 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1744693882 MIVJLRWPKAATGG-DQRAZIAOSA-N 435.532 2.002 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1CCCO 1747704082 AKHWWHRPCZZXMF-NRFANRHFSA-N 434.548 2.033 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1747862515 CPWLKLLOGKBKDR-ZWKOTPCHSA-N 429.546 2.114 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(CCC#N)CC2CC2)n1Cc1nnn(C)n1 1748548158 GLCYZVYWZSRLJL-UHFFFAOYSA-N 427.900 2.309 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1748697694 LVSSGMAIWGOHOY-UHFFFAOYSA-N 445.531 2.154 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748812320 SNHFZOUOIFBUMH-AOIWGVFYSA-N 431.562 2.028 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)NC(C)C)CC1 1748978960 RZRNIGRXLPBXSX-UHFFFAOYSA-N 445.571 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCCO)CC1 1749018615 BAMLJCHRZDBPKY-WOJBJXKFSA-N 445.608 2.325 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749037733 HOSSMUUCLFFHER-SFHVURJKSA-N 434.654 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](COC)C1 1749650537 AUFAQIPIHGIKQA-OALUTQOASA-N 443.548 2.189 30 10 IEEE CC(C)(C)c1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750453211 YGZYYOIUZVMQQG-ISLYRVAYSA-N 428.537 2.251 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1ccnc1C 1760119466 AFSJKKKSUCJJLZ-NRFANRHFSA-N 446.603 2.306 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2ccsc2)nc1 1760163055 KZJVSNCARPMVQC-CQSZACIVSA-N 430.559 2.130 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1760192455 JCDCIIGGDSXPGV-SFHVURJKSA-N 444.557 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)C(=O)NCC 1760193693 MPGVYUIKGSTTQQ-UHFFFAOYSA-N 434.544 2.382 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ccn(C)n2)CC1 1760256022 KIAURGUEQFPJGU-UHFFFAOYSA-N 449.559 2.278 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@H](C)N2CCCCC2)CC1 1760273582 ZAUFDRWHEZAMBZ-LJQANCHMSA-N 430.597 2.045 30 10 IEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760372904 ADRMITZMSZFSDV-ZDUSSCGKSA-N 448.936 2.360 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1760464460 HZGOGAVNLZYYRA-KRWDZBQOSA-N 431.541 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1760522957 ICNRKWNOHBMBRW-GOSISDBHSA-N 441.923 2.212 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](COc2ccccc2)C1 1760525642 MEDXINLYLXPBQS-FQEVSTJZSA-N 432.528 2.471 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCCO[C@H](C)C1 1760557607 QZBQEPDOHFHCAK-GOSISDBHSA-N 434.562 2.116 30 10 IEEE CC(C)(O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1760816940 BSKUFJOXTZAOOQ-IBGZPJMESA-N 438.532 2.310 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(C)Cc2ccccc2C1 1761462780 AGZNWHFFSRHTHS-HOTGVXAUSA-N 430.578 2.432 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)OC 1764281481 DRWOSCCOWXFPTD-LMMKCTJWSA-N 440.504 2.088 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)C[C@@H]1C 1769899199 AUOPINZCTIZPNU-AVRDEDQJSA-N 437.592 2.314 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)cc1 1770290516 UHKRHLMPGWRDJC-OAHLLOKOSA-N 436.472 2.046 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1770308372 CSRQJXFKSRIHRY-HNNXBMFYSA-N 433.509 2.170 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789662 CSMITYPPFVDOGJ-QGZVFWFLSA-N 426.450 2.355 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)[C@H]1c1cccs1 1850411602 NKYVPSUQXZRAJZ-XLIONFOSSA-N 428.558 2.268 30 10 IEEE CCN(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)c1cccc(F)c1C#N 1851315977 WGUBGNACHTYACX-NRFANRHFSA-N 429.517 2.392 30 10 IEEE CCc1c(C(=O)N2CCN(c3ccccc3C#N)CC2)nnn1-c1ccc2c(c1)OCCO2 1851402033 XLKYOGYKVGJWAL-UHFFFAOYSA-N 444.495 2.435 30 10 IEEE C=CCN1C[C@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccc(F)cc3)cnn2C)CC1=O 1852238081 XLDSWDVMEYHDQG-MRXNPFEDSA-N 437.479 2.147 30 10 IEEE C[C@H]1CC(=NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)NN1c1ccc(Cl)cn1 1852496118 ZXFCNESOJKMALA-LBPRGKRZSA-N 441.875 2.264 30 10 IEEE C[C@H](C(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1)n1cncn1 1852732100 LIOHQNVTHJTBQH-QGZVFWFLSA-N 429.484 2.312 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1=O 1857146663 HXKRGEIXCAQMGA-KRWDZBQOSA-N 445.310 2.217 30 10 IEEE Cc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1Cl 1858320742 BFVNNFGPZMOMRG-OAHLLOKOSA-N 439.946 2.262 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(OC)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595609 KIOMHUJOEVXVTA-UHFFFAOYSA-N 448.527 2.224 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc[nH]1 1874335604 TVSWOSNIRDUICM-XHADFYDMSA-N 431.566 2.173 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccn1 1874434700 SOAGAQXBKOEBNG-AUEPDCJTSA-N 434.485 2.133 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 1890345474 LDZPQJSEVHCGRF-UHFFFAOYSA-N 429.521 2.249 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1895838286 QNGNRZXHOBHTDX-OAGGEKHMSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 1902432145 TXKUMCZISGMEHL-MOPGFXCFSA-N 437.558 2.428 30 10 IEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1964924053 NCJIFCZXTFZYQB-LJQANCHMSA-N 438.532 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 2010516300 JPSOOAUYHFCJLV-WOJBJXKFSA-N 428.533 2.295 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2011816461 VMNOWLZAOBETKT-QTCYRWPVSA-N 441.525 2.330 30 10 IEEE C=CCN(CCC(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 2013645127 OWGWVTBNTQGXCP-MRXNPFEDSA-N 439.553 2.382 30 10 IEEE Cc1nc(S(=O)(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c(Br)n1C 2107500133 DUEWKDWOHBYOMD-UHFFFAOYSA-N 434.165 2.394 30 10 IEEE Cc1cnc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224094076 KHTXDRDZMZQLSJ-JKSUJKDBSA-N 433.358 2.154 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418851 MFKOTQWKOGKYDN-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2247833652 JUZAVNMEXDIKEG-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE CON(CCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247901457 KWBLJQPLWQSVEG-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254807103 WIWCMIMPQNQPGE-QGZVFWFLSA-N 433.358 2.453 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638554 KZUYTSXTPGCMNV-MNOVXSKESA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255646398 VVHLVRJHJRMDAJ-GZBFAFLISA-N 449.382 2.428 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255835666 XNWZSHKPCPLIDC-ZDUSSCGKSA-N 434.346 2.036 30 10 IEEE CON(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)OC(C)(C)C 2256017897 VJYNKQSFSGGSPG-UHFFFAOYSA-N 436.314 2.220 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2256030279 VSENCQJPQOJZTM-ROUUACIJSA-N 433.358 2.350 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2256625424 WOAHIMNJMBFQRB-CYBMUJFWSA-N 442.268 2.088 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2259927562 ZBZSOMMRWNWAIR-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267177267 LPVCYUDQPOGELD-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267268647 XIACJQVRHNALJE-SHTZXODSSA-N 446.357 2.342 30 10 IEEE COCC[C@@H](CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267270626 MPACHFSNLOCZNJ-KRWDZBQOSA-N 449.357 2.040 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2267493442 ZQGDSGLVCXVLCM-JKSUJKDBSA-N 448.373 2.285 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267507368 NCJJMQPTZDJGHX-GOSISDBHSA-N 438.381 2.456 30 10 IEEE Cc1cc(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2268637289 BIQFHEIMRBTFKO-UHFFFAOYSA-N 446.353 2.462 30 10 IEEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)C(=O)O)ccc3C2=O)cc1OC 2297473496 PLCWAURDNJOWHU-GFCCVEGCSA-N 427.409 2.288 30 10 IEEE Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc(B2OC(C)(C)C(C)(C)O2)c1 2320561395 MLPXAEXWDJBFSB-MOPGFXCFSA-N 432.370 2.364 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(OC)c2)cc1 2328573954 OVVBOCZNPKKJRU-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C[C@H](O)C1 2339452682 LZHWUZFTYPYKIS-SFHVURJKSA-N 443.353 2.275 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3cnn(-c4ccccc4)c3)cc2C1=O 22066755 QZVFYPBTLLCVPQ-UHFFFAOYSA-N 444.447 2.128 30 10 IEEE O=[N+]([O-])c1ccc(O)c(C=NC(=S)NNC(=S)N=Cc2cc([N+](=O)[O-])ccc2O)c1 254860470 PASXZUGIGKYRRC-UHFFFAOYSA-N 448.442 2.116 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 409580949 INPBXPLNBQOPIS-INIZCTEOSA-N 437.497 2.162 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)cc2C1=O 428466582 XEPIDQBOCBIGKZ-UHFFFAOYSA-N 432.885 2.456 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3(CC#N)CC3)cc2)C1 429919906 FOHBQZGQYNGRGL-HOTGVXAUSA-N 425.576 2.325 30 10 IEEE N#CCSc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 429920435 GJDOHAVNWFQFGW-UHFFFAOYSA-N 426.523 2.321 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(C(=O)NC)cc1 444225075 PHASHHFPLLSQCV-HXUWFJFHSA-N 430.526 2.397 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 460963774 ZJVYDCTWYJOFST-OAHLLOKOSA-N 430.940 2.495 30 10 IEEE CN1[C@H]2CCC[C@H]1CC(NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 463928979 UTHOCBWOIKVGSP-PMACEKPBSA-N 430.574 2.090 30 10 IEEE COc1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1C#N 464703509 ZLFAQYAXGYVACI-KSZLIROESA-N 429.542 2.480 30 10 IEEE N#CC(C(=O)N(CC(F)(F)F)C1CC1)=c1sc(=Cc2ccccc2)c(=O)n1C1CC1 488054407 ICXSZRXDLDVVJJ-UHFFFAOYSA-N 433.455 2.301 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 502338641 DLYRZVVJWZKBMO-LJQANCHMSA-N 433.516 2.497 30 10 IEEE COc1ccc(C(=O)NCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 508482711 FCXKPJAHUQDCGM-UHFFFAOYSA-N 438.440 2.275 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508861507 CWUPCZULMVBLSN-OAHLLOKOSA-N 442.911 2.228 30 10 IEEE C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@@H](C)O1 517754499 ZMVWFXAFNJCDAP-HUUCEWRRSA-N 446.495 2.049 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 524682696 MYXMSCYXTHFONI-FQEVSTJZSA-N 444.557 2.314 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)c1 533560256 HUQMPRGWOJBWNH-UHFFFAOYSA-N 428.579 2.291 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)ccc1F 533697847 VEGPNBVMJCOHHD-UHFFFAOYSA-N 436.896 2.296 30 10 IEEE N#Cc1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 534800592 QRUIPXKISKWVFK-UHFFFAOYSA-N 433.511 2.016 30 10 IEEE CCCc1ccc([C@H](C)N(CC(N)=O)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 537048359 CRAKKWGPOZJPDP-SIKLNZKXSA-N 427.593 2.180 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cc1 540464214 ICQZKCJGACDGDF-UHFFFAOYSA-N 430.511 2.220 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)n1 541103176 AHBSIBHLAJQHAP-UHFFFAOYSA-N 448.936 2.475 30 10 IEEE CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1cn(C)nn1 543846729 QIYSKEGXSSEBGQ-KRWDZBQOSA-N 425.537 2.007 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 553539824 XSJBYCISEOEHTC-MRXNPFEDSA-N 440.437 2.391 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 570010706 DJZCUYJIQYWEFP-GOSISDBHSA-N 435.525 2.105 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 575756332 HEWRCAWDYDKDSM-QAPCUYQASA-N 437.541 2.490 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3c4c(cccc4C(=O)OC)NC(=O)[C@H]3C)cc2C1=O 582266573 ZFCQJYWQIUKWNZ-GFCCVEGCSA-N 433.420 2.243 30 10 IEEE CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCN(c2ccccc2Cl)C1=O 586859314 ZBISFBAXJFTCJR-GOSISDBHSA-N 428.851 2.231 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 588152378 QOEHYTVWMBZQMD-QAPCUYQASA-N 438.549 2.142 30 10 IEEE COC(=O)C(C)(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 610825141 ZTRCCBNLEUHRIT-DNVCBOLYSA-N 443.525 2.282 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1-c1ccsc1 616255282 FDMUKWUSNZAXFR-UHFFFAOYSA-N 444.541 2.290 30 10 IEEE N#C[C@H]1CN(C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CCN1C1CC1 732650950 NSKNDAIWAAVMDZ-AWEZNQCLSA-N 425.539 2.385 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)CCN1C1CC1 735194095 FTYGMKLLXLIXCV-QJWGWKRISA-N 442.585 2.405 30 10 IEEE COc1ccc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C#N 747445777 XFHNWPQXWVRFLX-UHFFFAOYSA-N 440.525 2.482 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCc2ccnc(-n3ccnc3)c2)CC1 749206533 CMWCSIBMXJMKDE-UHFFFAOYSA-N 444.455 2.419 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CCN1C1CC1 751817259 MYVIQLBAOBOQDU-SNVBAGLBSA-N 429.677 2.379 30 10 IEEE N#Cc1c(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cccc1S(N)(=O)=O 755020655 URXHSIRJCPAJAI-UHFFFAOYSA-N 425.558 2.350 30 10 IEEE COC(=O)[C@]1(NC(=O)COc2ccc(C#N)cc2OC)CCCN(Cc2ccccc2)C1 755648340 DHACQXXVONMNAM-DEOSSOPVSA-N 437.496 2.270 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 756888369 AMRDNZIAGRBCQM-DCGLDWPTSA-N 434.443 2.193 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 756975451 RTSHGOJSJLJVJG-SFHVURJKSA-N 436.512 2.449 30 10 IEEE C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 757293274 FFFOFGUWTIGVSF-RTWAWAEBSA-N 438.480 2.422 30 10 IEEE C#CCN(C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CCCC1 768251266 GRXKTIPYUFRWGT-UHFFFAOYSA-N 428.558 2.474 30 10 IEEE C#CCOc1cccc(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)c1 769632537 GGNCTNHSTKZHRT-UHFFFAOYSA-N 446.453 2.472 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 774211014 UOFBZXJYYQXQCV-KLICCBINSA-N 432.542 2.097 30 10 IEEE CCN(Cc1cn(C)nn1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 781827546 VERFVWGHYGARTA-NMWGTECJSA-N 447.565 2.462 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 784482469 PSNJTRQVBLCVLP-SNRMKQJTSA-N 425.514 2.132 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)n1 790105424 HUCMPUJODRNRST-KRWDZBQOSA-N 430.452 2.096 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccsc1 790434990 XEPOLRKCFXWBQT-UHFFFAOYSA-N 449.561 2.028 30 10 IEEE CC(=O)NCc1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)s1 790841294 FADKFKZRTOQSPL-UHFFFAOYSA-N 442.316 2.137 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2CC[C@H]2C)cn1 795182091 GXYDLONOULSUGE-DJIMGWMZSA-N 433.578 2.278 30 10 IEEE COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2ncccc2C#N)CC1 802469808 TUVLKPSVCOXEJO-FQEVSTJZSA-N 447.499 2.030 30 10 IEEE C=CC[C@@]1(C(=O)OCc2nnc(S(C)(=O)=O)s2)CCCN1C(=O)OC(C)(C)C 803463606 YUWRAKCQSGAEOH-KRWDZBQOSA-N 431.536 2.331 30 10 IEEE Cc1nc([C@](C)(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)no1 817630127 FXPJZHTZCITMIC-OAQYLSRUSA-N 445.545 2.419 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)cn1 1084216938 GSUDEZGTBKUDNS-UHFFFAOYSA-N 426.506 2.050 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12 1146247617 MIXVMAUGDCECPB-UHFFFAOYSA-N 437.452 2.410 30 10 IEEE C=CCNc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)s1 1159433282 NGICZNBFGFZNQS-SFHVURJKSA-N 427.574 2.246 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(cnn3-c3ccccc3F)c2=O)c1 1166650616 GFGQWIRWSYHYGL-UHFFFAOYSA-N 430.399 2.051 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CC1 1175515253 USVLIKRVLHRGED-UHFFFAOYSA-N 435.908 2.372 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1213832134 WFCKSZOSSYVHLO-UHFFFAOYSA-N 447.601 2.394 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 1235505074 BZRKZMDHULSBOD-BHIYHBOVSA-N 434.500 2.090 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C(N)=O)nc1 1286364784 JQSPLKRUSFVAEE-UHFFFAOYSA-N 443.280 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@@H](C)C1 1286402475 XURNQIGGFNBVGD-ROUUACIJSA-N 426.542 2.237 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)C(C)(C)C 1286413478 UXFMJEOZWVKWAV-UHFFFAOYSA-N 442.585 2.358 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)N2CCCCC2)CC1 1286471046 GMSNHNAACPPOFE-HXUWFJFHSA-N 432.613 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCS2)CC1 1286487609 WVCQTAOCVBUNNH-SFHVURJKSA-N 446.621 2.058 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286630557 QPNCHXNLAAMSIP-UHFFFAOYSA-N 432.887 2.281 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286669749 RHYWCVDTWUXMPI-MRXNPFEDSA-N 435.536 2.474 30 10 IEEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C)C1CC1 1286739351 YYMFKVMUUMLHHP-IAGOWNOFSA-N 425.599 2.243 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286781234 PNNKJYBTGGVIGV-MRXNPFEDSA-N 428.512 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCOC1 1286781821 BYAMUYMUPPOQJF-AWEZNQCLSA-N 434.338 2.483 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC(F)(F)F 1286963112 KXIDLJZOOZDKED-CYBMUJFWSA-N 435.414 2.443 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCS(=O)(=O)c3cccc(Br)c3)CC2)C1 1289361336 FIPOPXANVLGROL-UHFFFAOYSA-N 442.331 2.477 30 10 IEEE N#C[C@@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)c1ccc(Br)cc1 1290673891 AEYIYHBFLHHTLK-SJORKVTESA-N 432.274 2.417 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O 1292771311 DAESLQMKPOASPR-UHFFFAOYSA-N 436.468 2.111 30 10 IEEE CCOCc1nnc(N2CCCc3sccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297242980 PQJNBLXGRDGQAW-FMQUCBEESA-N 442.545 2.355 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1300309819 IXIYNVVZLUREAM-SJLPKXTDSA-N 443.552 2.135 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2c(F)cccc2Cl)C1 1300337231 IBANJELSYMRHAF-HNNXBMFYSA-N 437.880 2.118 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCC(F)F 1300527993 NOQHRJHTRDUGOQ-UHFFFAOYSA-N 440.454 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(C)(=O)=O 1300563794 MSKYPYOJERUASE-INIZCTEOSA-N 445.614 2.144 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(OC)CCCCC1 1300647813 AOXNDZSEGRGNNL-UHFFFAOYSA-N 426.521 2.361 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NCc2ccccc2)C1 1301557093 MKKDLUKKSHTGPJ-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)ccc1F 1302965207 ATEHTHXAPDILHI-WKILWMFISA-N 434.493 2.200 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1304236742 MBHULSMCYDPDSQ-JOCHJYFZSA-N 425.512 2.379 30 10 IEEE C=C(C)c1cccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 1304717672 CYNSHDXNDBOXIX-IBGZPJMESA-N 436.555 2.440 30 10 IEEE COc1cc(Cl)c(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1OC 1307345525 FUMASHMZVBNJRS-UHFFFAOYSA-N 431.876 2.106 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)C1CCCCC1 1314702339 VJVDHYSCJKXRPD-UHFFFAOYSA-N 446.577 2.437 30 10 IEEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1315816425 RALUXVYGOKDEIX-MRXNPFEDSA-N 442.474 2.000 30 10 IEEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cnn1CCC#N 1350577392 IVXWMCFNRHMRKT-HUUCEWRRSA-N 431.518 2.155 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OCCOC)C1 1358910965 HBLJBPHCZMQSHC-KRWDZBQOSA-N 429.521 2.441 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1358912321 OOJMZPPXNJKNFN-LJQANCHMSA-N 449.621 2.116 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964378 YGDPVRLYWCKNOT-PMACEKPBSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1358991767 NYNZVTDGVVKDQV-YLJYHZDGSA-N 430.512 2.080 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2CCOCC2)n1 1359027977 CAPFJRHOUYKAFY-HXUWFJFHSA-N 428.537 2.039 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1359055707 NAFQBIRORBBPCY-GOSISDBHSA-N 440.573 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCN1CCCS1(=O)=O 1359071962 JRSAKHLACPJBCL-JOCHJYFZSA-N 427.574 2.205 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)CC1 1359173651 LFXQMTKQRIUBNI-MRXNPFEDSA-N 426.583 2.372 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1359271382 SMGZGUVRWDMZHM-KRWDZBQOSA-N 441.623 2.077 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359301761 KJXXWUIDXZEKMU-UHFFFAOYSA-N 446.502 2.019 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359304450 YIAPPMMWFQBTLZ-PWRODBHTSA-N 439.560 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccccc2C)C1 1359326535 CGRXJMBWWGXMOE-SFHVURJKSA-N 445.589 2.319 30 10 IEEE CC(C)COCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1360070143 DSAYXMLQNPKLSX-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nnc2n1CCCCC2 1360486776 GTKDROQXZDGXSK-MRXNPFEDSA-N 447.547 2.077 30 10 IEEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)cnn1CC(C)C 1360960315 IQQQLYVAGCTZHG-UHFFFAOYSA-N 432.532 2.304 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(F)c(Br)c2)c1 1434894026 JOBBDCIOJFJXNV-UHFFFAOYSA-N 446.276 2.470 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CC[C@@](O)(CC#N)C1)C2 1452255031 XGJJWNQCEVWKGK-ZHRRBRCNSA-N 431.489 2.247 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc([Si](C)(C)C)cc1 1453577081 QUSXPECJDVTUGQ-INIZCTEOSA-N 429.618 2.129 30 10 IEEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1461633953 NMRMLGOJBUPUQF-IBGZPJMESA-N 433.574 2.479 30 10 IEEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC2(CC2)C1 1463586603 CPSXWNJGRSDVEM-UHFFFAOYSA-N 444.376 2.427 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 1469495170 RXMYBXGWSIUELO-UHFFFAOYSA-N 440.525 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC[C@@]1(O)CCCOC1 1469740280 IIAWYCOOZZVJOC-CVDCTZTESA-N 429.517 2.440 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)Cc1ccccc1F 1471896612 DVMVEASPFZVFJR-APWZRJJASA-N 447.532 2.143 30 10 IEEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)C2(NC(=O)OCc3ccccc3)CC2)C1=O 1472908233 ULTACXQQDDZPHQ-HSZRJFAPSA-N 446.463 2.353 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cc2cnccc2o1 1479170894 VPUOIJHWXGNABR-HNNXBMFYSA-N 439.497 2.477 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1500720234 DXFVTQAEVVIYPZ-XGIGFIBQSA-N 441.580 2.240 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C#N)CC1 1503264311 BRHBDZLIIJFYLS-UHFFFAOYSA-N 446.577 2.365 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1503273442 JGTHNRDWXSAWNB-IBGZPJMESA-N 446.577 2.151 30 10 IEEE COCC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504757043 OTQSFTAXCZPYTG-JOCHJYFZSA-N 428.537 2.189 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1504829045 DVPFEDRFCOYQBS-JTSKRJEESA-N 427.505 2.149 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630080 ZJQWYLFLEBPUNY-BPQIPLTHSA-N 432.546 2.146 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 1507798000 FQEHHSVDXVUHOH-XLIONFOSSA-N 427.553 2.142 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507954146 KZLKSCBXTMJTMJ-QGZVFWFLSA-N 449.552 2.398 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507964533 BWVODOYYHLQGQM-RBUKOAKNSA-N 439.472 2.436 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508094640 PSUKWMZORIDIBK-QGZVFWFLSA-N 442.589 2.143 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1510374647 CYKXHEVZASJDGC-KRWDZBQOSA-N 440.529 2.381 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1517824410 ALQRGZSIMCDRSQ-FQEVSTJZSA-N 433.516 2.144 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)c1 1518048772 CVBQFSXVJIRKFQ-CQSZACIVSA-N 436.472 2.142 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)N2CCC(C#N)(c3ccccn3)CC2)CCS(=O)(=O)CC1 1538398874 KRPBBWBHHRMZKU-UHFFFAOYSA-N 447.557 2.002 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C1CC1 1539010902 CXWLDZNXMWFJOZ-INIZCTEOSA-N 444.580 2.377 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2nsnc2c1 1539401179 WJBDARGHBYPSHG-OAQYLSRUSA-N 442.545 2.069 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)cc2)CC1 1539431563 VOBIXLLMCDDJON-XMMPIXPASA-N 441.551 2.456 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539779372 VPTRVJHGOAAPHW-MRXNPFEDSA-N 431.928 2.348 30 10 IEEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CCCOC)CC1 1539884252 GNQJCMIWHAYCKJ-UHFFFAOYSA-N 430.553 2.377 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540033974 SNOBEYXQYHONBQ-LJQANCHMSA-N 444.580 2.193 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCO[C@@H](C)C2)n1 1543011080 BIUUPXYADPMFFT-PXNSSMCTSA-N 428.585 2.237 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CC#N)c2ccc(F)cc2C)cc1 1543807844 LMEYFXWTLFWWPA-UHFFFAOYSA-N 432.477 2.270 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCC2)CCO1 1555992086 GGRUHILXOGWEMF-OAHLLOKOSA-N 434.342 2.250 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556457874 SAJYEQQTNRTTOM-ACBHZAAOSA-N 426.517 2.421 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1557601976 PFSOOBVRZKRAEO-UHFFFAOYSA-N 440.548 2.445 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(O)(C4CCC4)CC3)CC2)cc1 1558646439 OMZYMJUGONOSQW-UHFFFAOYSA-N 431.558 2.113 30 10 IEEE C#CC1(O)CN(Cc2cc(I)cc(I)c2)C1 1560203956 SLROQMZLSRCWBT-UHFFFAOYSA-N 439.034 2.076 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1561155054 SURMRUMZBQWYOT-LBPRGKRZSA-N 428.757 2.466 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2cnc(SC3CCCC3)nc2)cc1 1569739821 ICMJFVLNDPUTJJ-UHFFFAOYSA-N 445.570 2.020 30 10 IEEE CC(C)(C)OC(=O)CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCC1 1585043571 VRUTZBIREIPZNV-SFHVURJKSA-N 440.500 2.486 30 10 IEEE C[C@H](CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1585237278 PTMUYXOMEGXRIN-OAHLLOKOSA-N 437.525 2.177 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1587970001 LSZYIWLDLMVOGZ-QZTJIDSGSA-N 443.621 2.428 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1588016048 IVFKJSUAFNMOSA-DQRAZIAOSA-N 434.500 2.070 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1588452876 WVKSADJQAUQVBB-UHFFFAOYSA-N 432.546 2.150 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(CC)CC)N(C)C)CC1 1588865389 WLQALHWNEAWSST-QFIPXVFZSA-N 440.640 2.261 30 10 IEEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1593778661 ONGLCFKGJMTPPS-OAHLLOKOSA-N 434.433 2.132 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594545013 PQLUDVYSQKNPTK-RTWAWAEBSA-N 439.560 2.437 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 1594582436 QXCDFWOQTNRYKG-LJQANCHMSA-N 445.589 2.226 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1595506474 BCORZKXWBRWXKJ-MGPUTAFESA-N 441.532 2.268 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1597189853 VYJGISOHNWMOKD-ZWKOTPCHSA-N 435.546 2.283 30 10 IEEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@@]3(C)C(=[N+]([O-])O)CS(=O)(=O)[C@H]23)cc1 1615951857 YYVMHFKXEKSAPI-QFUCXCTJSA-N 435.498 2.348 30 10 IEEE CCN1C(=O)c2ccc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)cc2S1(=O)=O 1618071591 XKMDDKRZNCYUOZ-UHFFFAOYSA-N 439.493 2.158 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN(C)S(=O)(=O)c3cccs3)n[nH]2)c1C 1623391700 RNJIWNYTJYJQKO-UHFFFAOYSA-N 448.574 2.188 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1)C(=O)OC 1626187875 KPZROGREVSORBF-QGZVFWFLSA-N 440.452 2.016 30 10 IEEE C/C(=C\C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)CN1CCOCC1 1628597819 YBPRXGWUFPLATQ-QMEWPPBRSA-N 447.377 2.436 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1629326028 GAHNSTRDKCFYJI-IAGOWNOFSA-N 449.552 2.118 30 10 IEEE Cn1c(C#N)ccc1C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1630025376 FAUIPSDHTXTJOK-UHFFFAOYSA-N 447.499 2.461 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 1632484256 DVBNNORZQZDSGW-UHFFFAOYSA-N 428.473 2.283 30 10 IEEE C=CCN(C(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1634104450 VIUVTHVMHCZBAK-IBGZPJMESA-N 436.468 2.069 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)c1 1634972914 SIWTUHKJDIHUBW-CQSZACIVSA-N 447.488 2.149 30 10 IEEE C=CC1(CC(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1636013101 YLDYIPFFRDORGG-QFIPXVFZSA-N 439.553 2.288 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1636238339 FHPPRUHWGZDKGR-AEFFLSMTSA-N 428.537 2.478 30 10 IEEE O=C(NCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccncc1 1636464140 UIKSJVCAOVKFNY-NXEZZACHSA-N 431.283 2.441 30 10 IEEE C[C@H](Oc1c(I)cc(Cl)c2cccnc12)C(=O)N[C@@H](C#N)CO 1636605586 XDZJIBGEQSACKA-IUCAKERBSA-N 445.644 2.261 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)NC2CC2)s1 1637285560 ZRKXGXPOKOOCGT-OAHLLOKOSA-N 441.575 2.025 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)c1ncc(C#N)cc1Br 1640017993 BKTRCYIYKQMPJY-UHFFFAOYSA-N 429.271 2.017 30 10 IEEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCOCC2)c1 1645666739 QNSFMTCCHSASNT-UHFFFAOYSA-N 433.917 2.312 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1647738428 WLLUQDAJVUJSEO-OAQYLSRUSA-N 432.609 2.123 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)cc1Cl 1653704010 SWLHVOBABBICAQ-ZDUSSCGKSA-N 440.768 2.055 30 10 IEEE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(c4ccc(C#N)cn4)CC3)CC2)cc1 1655170583 YFYHMIRNQQNVDA-QHCPKHFHSA-N 435.572 2.324 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OCC 1663611470 ULGVVSHCJOPPMO-GFCCVEGCSA-N 439.317 2.061 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)c1 1663746495 CMPAEJHTIWEZAW-UHFFFAOYSA-N 449.960 2.468 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CC(=O)N(CCC(F)(F)F)C1 1663983806 DPPTZNDDZQYNMJ-UHFFFAOYSA-N 426.214 2.064 30 10 IEEE C[C@@](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)(C1CC1)C(F)(F)F 1665030453 GCYXFJOFQVOHMI-QGZVFWFLSA-N 430.452 2.305 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1670882378 MIGYMBYUPVWZNE-UHFFFAOYSA-N 437.562 2.380 30 10 IEEE C=CCN(C(=O)Nc1ccc(C#N)cc1I)[C@H]1CCS(=O)(=O)C1 1674846311 XUZPEBULAUJDJV-LBPRGKRZSA-N 445.282 2.370 30 10 IEEE CN1CCC[C@H](CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1683034929 QDSJLKXEKCUTNY-MRXNPFEDSA-N 427.528 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1689827810 JDOVWVOMBNAJKJ-MSOLQXFVSA-N 441.532 2.134 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCc1cnn(C)n1 1689964030 DESUYDWKHYDGDF-UHFFFAOYSA-N 442.568 2.223 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690155016 COTSRRCXAVOGBT-SJORKVTESA-N 426.546 2.155 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)CC1 1690411031 CXLSAGOWDWXYRZ-SFHVURJKSA-N 437.610 2.450 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(C)cccc3C2)nnc1[C@@]1(OCC)CCOC1 1690676751 CCWALYSGGLUWQM-HSZRJFAPSA-N 425.533 2.104 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690999970 UCSQCRGENSWZDH-BHIYHBOVSA-N 443.577 2.140 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(C)CN(C)C1=O 1694733433 DYAGFZDCVPHMOP-NRFANRHFSA-N 427.940 2.170 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCNC(=O)C(C)C)CCOC1 1696053398 BZZJWNIFZRYINP-QFIPXVFZSA-N 432.569 2.223 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1696885708 OOEYDVUOOOVONM-VQTJNVASSA-N 434.422 2.467 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697209294 LFQMNXVGOPYHDN-PANRORFQSA-N 428.537 2.152 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1698130007 PVCMTQRJQUUQQZ-VQTJNVASSA-N 448.612 2.489 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)C1CCCCC1 1698253678 BQDOQCBATKZBFS-FUOQNJDISA-N 433.553 2.062 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1705544236 JEOWJBCHGHDXOI-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705562330 AAHIDRZORKNQIP-KSZLIROESA-N 432.546 2.288 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)C 1705676527 DZEMZJIPHNZQMC-OAQYLSRUSA-N 428.562 2.176 30 10 IEEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1705797236 RZSPDBWXDFFELM-LJQANCHMSA-N 436.560 2.128 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)c(COC)c1 1708756615 FTYXBXTZWDYEIB-SFHVURJKSA-N 444.511 2.259 30 10 IEEE CCCNC(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1709806860 DTCYRCHIMBQQDG-UHFFFAOYSA-N 444.543 2.368 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1710269432 WHFCULDWNOGWDG-PZJWPPBQSA-N 429.613 2.328 30 10 IEEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1710649118 WMQDCEBXFZVJOP-BDXSIMOUSA-N 448.568 2.435 30 10 IEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1711543013 FXSDFDOWBYDJPZ-GOEBONIOSA-N 426.587 2.079 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1722282101 LJUMRYSQHGJCOI-INIZCTEOSA-N 444.499 2.444 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1722435113 BOQKJZASQKZXOG-FQEVSTJZSA-N 438.576 2.058 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1722436106 XEYCPVUKPUWRQL-NRFANRHFSA-N 429.528 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)COC)CC1 1722450542 MCDRHQRHOJDJCW-QGZVFWFLSA-N 443.523 2.245 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1722601244 SZHNOKSHPVEFKV-AEFFLSMTSA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 1722693891 DNLOTAIJGMBPHO-UHFFFAOYSA-N 439.564 2.006 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)OC)C1 1722712556 VGEPUZPQLBXWRH-JKSUJKDBSA-N 434.566 2.054 30 10 IEEE CC(C)=CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723050387 KPPQULMVXFYZOL-HNNXBMFYSA-N 442.545 2.071 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1726750466 VVMSNYSGJUHPMR-FXAWDEMLSA-N 427.505 2.149 30 10 IEEE CCNC(=O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)cc1 1728657958 AULHWCMGQHRYIC-INIZCTEOSA-N 446.515 2.319 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCC[C@@H]1OC 1729070737 NUBMBMLPZBYHOG-OALUTQOASA-N 425.537 2.223 30 10 IEEE COc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)O 1730296381 YVWNKODZKHMAOM-UHFFFAOYSA-N 434.500 2.183 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1730934889 VFGAZDITGJPAEL-IPJJNNNSSA-N 443.573 2.378 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1740553790 UMNLWQMGOKIDFL-ZBFHGGJFSA-N 438.500 2.482 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740624883 BMEQQGFANSPLAR-IBGZPJMESA-N 432.594 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCOC1 1740632771 OMKIDHSMNGURFZ-GOSISDBHSA-N 440.573 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740636210 WYCUOOQKBPCCPA-CYFREDJKSA-N 436.512 2.373 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1740661901 MAFHBADLGKMNMB-SFHVURJKSA-N 444.605 2.386 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1740669328 VXHOMKPIWWTZPP-UHFFFAOYSA-N 430.516 2.050 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1740714784 KSSDDBYARNJJOD-IAGOWNOFSA-N 430.578 2.007 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1740728968 URZASSVAFFUXNL-JOCHJYFZSA-N 436.541 2.320 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740745941 KNSVTOAZFZUPEG-AWEZNQCLSA-N 435.326 2.449 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1740796709 CVJUWJHWQNBPJZ-QFIPXVFZSA-N 443.573 2.145 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1740900685 WIFMAYWQIIUHPH-UYAOXDASSA-N 445.589 2.353 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 1740951652 KFWXGEHVSBREAX-ZDUSSCGKSA-N 437.426 2.006 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1740956501 SXUSVZUJRHJIHQ-FQEVSTJZSA-N 432.528 2.480 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)C 1740960163 MEHWPDGBYDQJRD-UHFFFAOYSA-N 426.569 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccsc1 1740994659 RPUUTBQKNKGHNG-UHFFFAOYSA-N 434.591 2.438 30 10 IEEE Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742768787 QQLJDCKKUOWQHB-VXPUYCOJSA-N 437.460 2.190 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(Br)n1 1742805695 CIAILBHPZKZZMG-UHFFFAOYSA-N 426.278 2.327 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1747412590 COMZEAYDJGSHQV-HNAYVOBHSA-N 429.546 2.255 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2 1748906327 BDZVRBKXHZAPMF-UHFFFAOYSA-N 435.431 2.254 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1748908295 XMULIFUHQPNMEH-XMMPIXPASA-N 437.544 2.112 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCCC1 1748965960 XUMRKYHTXNOZPS-UHFFFAOYSA-N 431.487 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)[C@H](C)CC)CC1 1749010722 VTRJAEJEEYUZEH-MISYRCLQSA-N 431.581 2.199 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749106065 WILOVERVHFYWLS-CRAIPNDOSA-N 447.381 2.329 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC#N 1749726690 AQDKIDPLKHXVEP-HNNXBMFYSA-N 431.518 2.055 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(N)=O)cc1 1749940593 CLUXVCYCLJSGKQ-HNNXBMFYSA-N 427.509 2.281 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1750030813 RJJUJLXNJJNGEG-UHFFFAOYSA-N 426.912 2.366 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1751095292 CBZZQLNSOMJHBI-RDJZCZTQSA-N 444.540 2.107 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1C[C@@H]1C 1760248937 GEFPUQUNROFJGK-KSZLIROESA-N 433.553 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C[C@H]1C 1760313101 JAHHAFHKVJMTAG-POAQFYNOSA-N 446.596 2.235 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1760340866 QQPXDUKBKYHLFC-UHFFFAOYSA-N 445.589 2.449 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1760427431 AHJWZKSUKYTANW-GOSISDBHSA-N 448.593 2.155 30 10 IEEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760468153 JMQVGMPBTOLOGM-SFHVURJKSA-N 442.994 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760520087 BVTHHEANYMLLKX-UHFFFAOYSA-N 449.902 2.436 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760522632 XWAXOTXIPDKMKW-VQTJNVASSA-N 430.597 2.033 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(OC)c2)C1 1760543874 TUZQPPNRUQBTCT-UYAOXDASSA-N 446.573 2.213 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@](=O)CC)C1 1760544852 IIBHPPYHZBIIRI-LHEBDHONSA-N 442.545 2.144 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(OC)CCOC1 1761872141 GBDDLDUADVXVNO-HTAPYJJXSA-N 425.537 2.190 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(Br)n1 1762610560 BEWKQWKFWBYZLY-UHFFFAOYSA-N 439.321 2.386 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnn(C)c1C 1768972383 CLLJDYBTPAFQIQ-OAQYLSRUSA-N 425.468 2.398 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCSCC3)n2Cc2ccc(C#N)o2)c1 1770313173 POYVKMVQFPBNOZ-UHFFFAOYSA-N 429.527 2.415 30 10 IEEE C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@@H]2C)C1 1853831352 UPPQNOVPPUFCSO-HOTGVXAUSA-N 430.936 2.337 30 10 IEEE N#Cc1cccnc1OCC1CCN([C@H]2CCCN(C(=O)[C@H]3CCCS3)C2=O)CC1 1855594522 YQXRQMVLPPEVKI-RBUKOAKNSA-N 428.558 2.457 30 10 IEEE C[C@H]1Cc2ncn(CCC(=O)N3CCN(Cc4ccc(C#N)s4)CC3=O)c2C[C@H]1C 1857508462 WNKDHNBZCQEAFL-JKSUJKDBSA-N 425.558 2.448 30 10 IEEE CCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cccn(CC(C)C)c1=O 1861287446 VSQCUVSNIPSLOL-IBGZPJMESA-N 434.581 2.345 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862629748 CSKXUCIHHZJTDU-ADLMAVQZSA-N 426.381 2.283 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862676109 AJEAZWBHZVARPH-SFHVURJKSA-N 427.388 2.448 30 10 IEEE Cc1cccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)c1 1874246093 LYPVHYGKGUBLQA-FSJBWODESA-N 441.513 2.469 30 10 IEEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226630 OEKSEUBRMQNJPM-IAGOWNOFSA-N 440.548 2.291 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1992858202 ZBRROQDIZYGVLT-BZUAXINKSA-N 427.542 2.190 30 10 IEEE C#CCOCCOCCNC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2015732015 AAXVYNIDVWBMIN-FQEVSTJZSA-N 434.533 2.269 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](Nc3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2224133577 XVFDJSHSRUUAHP-PVAVHDDUSA-N 431.342 2.427 30 10 IEEE Cc1cnc(N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232267533 CRFKHAHCIBDLSS-SJLPKXTDSA-N 447.385 2.401 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1C 2247916307 VGSNMFZHLMXAKY-UHFFFAOYSA-N 432.273 2.167 30 10 IEEE CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248415049 UHDOXEITNCLXSG-UHFFFAOYSA-N 441.359 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255627960 AVLCKBMXTVPGNF-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)c2C1 2263176062 DCVJHFUNGFPFEF-UHFFFAOYSA-N 430.314 2.068 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267093800 YCUFXVLKCJNZFO-CQSZACIVSA-N 448.373 2.474 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267126390 ABGIXIXPYOGGHP-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267138697 ZISPHIVXMQZDGX-RBUKOAKNSA-N 436.365 2.303 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267168265 QHLSLWZUBDOVJI-UHFFFAOYSA-N 433.321 2.293 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523532 CYKOYGIKMYSYHY-CQSZACIVSA-N 448.373 2.047 30 10 IEEE CC(C)[C@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2267551273 KJJQSWLOGSNGQS-INIZCTEOSA-N 448.373 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267552276 RASLMTCUSBJJSE-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267586900 QGCZLPPMQNYXKQ-ZDUSSCGKSA-N 441.259 2.054 30 10 IEEE C[C@@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268641247 AXKXFODWHFEYFB-QAPCUYQASA-N 448.369 2.439 30 10 IEEE C=CCCC(C)(C)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270502526 WMHJBFXNBNDKFW-KRWDZBQOSA-N 426.535 2.366 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271384332 DUDCUAGRPFQDTH-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2314143530 CXEOIURPYNXXES-UONOGXRCSA-N 432.330 2.265 30 10 IEEE CO[C@@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)COCc1ccccc1 2337195245 WDPAMIXDXJSARF-QHCPKHFHSA-N 443.353 2.071 30 10 IEEE CC1(C)Cc2c(C#N)c(SCC(=O)NC[C@@H]3CCCO3)nc(N3CCOCC3)c2CO1 21150626 WHKRGJVSCAUIEO-HNNXBMFYSA-N 446.573 2.028 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 22227401 LAIOJVLQLVJKJM-QGZVFWFLSA-N 427.574 2.365 30 10 IEEE C/C(=N/OCC(=O)OCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc2c(c1)OCO2 59499998 RSHMZWMONPWUSH-OYKKKHCWSA-N 441.440 2.040 30 10 IEEE CC(C)(C)C[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 60877337 USYDLWQNYOQQPY-LJQANCHMSA-N 432.590 2.292 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nnc(COC)s3)C2=O)cc1 96546707 YYQVMDAMAMTKHM-FQEVSTJZSA-N 445.501 2.045 30 10 IEEE COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(-c2ccccc2)cc1 409568806 ZESVBUCWRNQCNY-WOJBJXKFSA-N 429.498 2.017 30 10 IEEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 433887741 JRPVDAQYIIXKMB-CHWSQXEVSA-N 431.308 2.052 30 10 IEEE Cc1cccc(S(=O)(=O)CCCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 463479027 OZQMOOMPLPSZOM-UHFFFAOYSA-N 447.582 2.037 30 10 IEEE Cc1cc(NC(=O)CSCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)no1 502426458 UAEWJOIMHIPHCU-OAHLLOKOSA-N 445.526 2.067 30 10 IEEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)C2 510464308 QULQINGXBUTWBX-PMACEKPBSA-N 439.560 2.195 30 10 IEEE C[C@H](C#N)CN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CC1 533137852 GCZPSUCITZYNQC-ZACQAIPSSA-N 434.562 2.047 30 10 IEEE N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc1OC(F)(F)F 549775498 DWCDYRHPQGKRHO-MLGOLLRUSA-N 441.406 2.079 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 561505819 QTXRZYZFUCCRMS-LBPRGKRZSA-N 440.294 2.082 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(F)cc3)c2=O)n1 577810117 SIKUCUHCWNNUMF-UHFFFAOYSA-N 435.480 2.314 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)cs1 623010582 BINFKGSGECWRLF-UHFFFAOYSA-N 442.610 2.068 30 10 IEEE C[C@H](C#N)NC(=O)c1cc(I)cc(I)c1O 701289214 QYPSMDMLNYSEOQ-RXMQYKEDSA-N 441.994 2.243 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(F)(F)F 730138899 OLZVMWOKBUALIQ-AWEZNQCLSA-N 432.468 2.257 30 10 IEEE C#CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 731213740 QHEXYODNJOUXHP-XMSQKQJNSA-N 428.579 2.345 30 10 IEEE C=CCOCC(=O)O[C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 734730269 FZZLDQWNPGPRKL-INIZCTEOSA-N 446.363 2.433 30 10 IEEE N#C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCN1C1CC1 749246403 KLJMGWLMNRJJFE-HNNXBMFYSA-N 432.531 2.148 30 10 IEEE Cc1nn(Cc2ccccc2)c(C)c1C=NOCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 749791500 PUVWOVKGMJXMLH-JOCHJYFZSA-N 441.576 2.372 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CCN1C1CC1 751955760 URDDQQNHVWJWMH-SFHVURJKSA-N 426.904 2.393 30 10 IEEE C[C@@H](CC(=O)NCCOCc1ccc(Cl)cc1)/N=C1/NS(=O)(=O)c2ccccc21 754104262 SRNMPKSTEGBWNY-AWEZNQCLSA-N 435.933 2.490 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 756074113 IZKRXFCRKOOOGT-OAHLLOKOSA-N 439.537 2.334 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1 757277095 JJTOFCQRQWUNSN-VWLOTQADSA-N 448.475 2.231 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1 766838470 IALFWVMYSLBLBF-SFHVURJKSA-N 427.482 2.412 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)s1 772896219 CJHLPGMPURNSKG-OAHLLOKOSA-N 445.610 2.472 30 10 IEEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 775986127 DYNVZJRWGKCADP-ZFFANLAPSA-N 449.577 2.397 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)cc1 786688901 PRAZEGKHSMDZNA-QGZVFWFLSA-N 435.571 2.030 30 10 IEEE C[C@@H](OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(=O)NC1(C#N)CCC1 787567040 PZRAQVFBBITZIU-UZLBHIALSA-N 445.475 2.388 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)n1 788852551 AMKAHBSHXUZMBY-HSZRJFAPSA-N 439.560 2.056 30 10 IEEE COc1cc2c(cc1C=Nn1c(-c3cnn(C)n3)csc1=NCC(F)(F)F)OCO2 789989640 FNECATZFBKUUTJ-UHFFFAOYSA-N 440.407 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cnc(NC(=O)COc3cccc(C#N)c3)cn2)CC1 791016268 FFNJNEAGBNRSJN-UHFFFAOYSA-N 438.488 2.423 30 10 IEEE CC(C)CN(C(=O)COC(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 917262129 LHHYCQUNLGXNGQ-GOSISDBHSA-N 438.571 2.006 30 10 IEEE COc1cc(C=NNc2nnc(SCc3nnc(C(C)C)o3)n2N)cc(OC)c1OC 1084243307 WHMQMQXXHFTRNG-UHFFFAOYSA-N 448.509 2.262 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCC[C@H]3N3CCC(O)CC3)CC2=O)cc1Cl 1152692691 ALUWNBAFUHPYOX-UIAACRFSSA-N 430.936 2.059 30 10 IEEE N#CCC1(O)CN(C(=O)Cc2cc(Br)cc(I)c2)C1 1154589768 SSGOKCPGSMABFC-UHFFFAOYSA-N 435.059 2.083 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@@H](N2CCOC2=O)C1 1165507636 GMGHLFUMKFSLHP-MJGOQNOKSA-N 440.500 2.446 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)cc1 1198414144 CXXNYCWAIYRXJJ-UHFFFAOYSA-N 447.586 2.229 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(F)c1Br 1208475343 ZBANKOWCQORXBU-LBPRGKRZSA-N 426.329 2.093 30 10 IEEE CC(C)(CC#N)CS(=O)(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1212074660 GTPSRRXJMGHVMR-INIZCTEOSA-N 440.570 2.209 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCOCC2)c1 1286304152 USTYTMWSIXNUGE-FQEVSTJZSA-N 447.587 2.478 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCNC(=O)c2ccco2)c1 1286309542 MRIDXHXNCGFFOT-UHFFFAOYSA-N 432.484 2.235 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286367388 IULGQPPUERFHHR-UHFFFAOYSA-N 441.923 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCn1cc(Br)cn1 1286431690 QMJAWTCKNMMNNH-INIZCTEOSA-N 431.338 2.294 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(O)CCOCC2)CC1 1286473703 RKGFYTPPOLVQGZ-UHFFFAOYSA-N 429.952 2.285 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286482627 UYRGNLHBULQUBT-UHFFFAOYSA-N 447.630 2.043 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)NC)CC1 1286483949 AWVVPIFCCKJUKJ-UHFFFAOYSA-N 438.576 2.046 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286565098 OQEABASCAFRUAD-OFNKIYASSA-N 444.624 2.202 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286618735 GMPDUAUFLPDZPW-HOCLYGCPSA-N 449.342 2.329 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286680713 LXNRHYYNNPVFKK-UHFFFAOYSA-N 437.548 2.228 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286711825 UCUBEHXTMADFNB-UHFFFAOYSA-N 427.553 2.253 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286740060 CFPVTKYMQDYAPY-GOSISDBHSA-N 433.578 2.323 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1286746264 UANVLUDTVFKHFR-HXUWFJFHSA-N 429.590 2.469 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1287423405 HTVQXRAOFUYNBJ-QGZVFWFLSA-N 428.510 2.215 30 10 IEEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1)C(F)(F)F 1288751948 WQOLPFKDFZMBSR-RHSMWYFYSA-N 447.465 2.168 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1290223590 IWNQCQIGDUGRJG-LJQANCHMSA-N 446.523 2.215 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H](C)N(C)C3CC3)CC2)c1C#N 1290576392 DTCUIHFVYXVGJY-KRWDZBQOSA-N 439.612 2.200 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1291193501 DDQKOPXAVCPYHW-LSBZLQRGSA-N 426.521 2.377 30 10 IEEE C[S@](=O)C1(C(=O)NCc2ccc(OCC#N)cc2)CCN(C(=O)OC(C)(C)C)CC1 1292736888 SJXPQLLDUVLUNR-PMERELPUSA-N 435.546 2.353 30 10 IEEE CCN1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1296154206 KWYQTYPAVDVQNA-MBOBHEEDSA-N 435.532 2.002 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1 1300118903 KQCVBHHOTNRMHG-KNQAVFIVSA-N 429.496 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1c[nH]nc1C 1300281824 DHZXUPZLNUVWPT-OAHLLOKOSA-N 426.546 2.471 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc(Cl)c(OC)c(OC)c1 1300663569 BBQJXVAQTGEEQU-UHFFFAOYSA-N 444.923 2.484 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1301217933 IGUHWDGGNUGUAE-MRXNPFEDSA-N 435.532 2.343 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1301414550 DYJUYHZVPWBQFR-UHFFFAOYSA-N 429.912 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@](C)(OC)C1 1301493223 WREOQMBUKGBJEZ-QFIPXVFZSA-N 429.521 2.270 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C1CC1)N(C)C 1301967369 CENPWACOQOJGAD-FXAWDEMLSA-N 437.596 2.388 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(NC(C)=O)c1 1302029636 PSHXJWOJCSLZRV-VFNWGFHPSA-N 430.484 2.451 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1303635826 JEXIRSZCLCIDOK-AWEZNQCLSA-N 435.488 2.086 30 10 IEEE Cc1cc(C)n(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)n1 1304771377 LSBDQLMILRGDAW-LJQANCHMSA-N 436.476 2.486 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)c1 1307496727 BPRYSWHKVQQHRW-MRXNPFEDSA-N 438.450 2.439 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(C2CCCCC2)c1C 1308100016 LMIJIOJLMXIIOZ-JTSKRJEESA-N 443.573 2.291 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1sc(C(=O)OC)cc1Br 1309889425 SNSRRYQIDXOLOT-UHFFFAOYSA-N 435.365 2.015 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 1310332232 ANFTVNQZKHVHOS-UHFFFAOYSA-N 429.498 2.470 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1314118576 DQKMXGQALJUXHD-DHIUTWEWSA-N 444.580 2.367 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1315608441 GWEMTVOIEBUSJL-QUCCMNQESA-N 440.548 2.039 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccncc2Cl)CCO1 1316541365 XMDZJAIKPSWVPA-CQSZACIVSA-N 443.920 2.095 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 1318287486 IQLJYVAIPZCCLB-UHFFFAOYSA-N 426.501 2.438 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCN1CCOC[C@@H]1C 1358899084 HAGDFLXHXKHILT-MOPGFXCFSA-N 427.549 2.434 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1358904286 BAXIPZFEFRPGHY-GOSISDBHSA-N 438.642 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(N(C)C)CCSC1 1358982880 NOGBTPDPTCKGSM-HSZRJFAPSA-N 439.585 2.376 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN(C)CC(F)(F)F)CC1 1359037710 UIKAOPQEZXGEIU-UHFFFAOYSA-N 426.512 2.180 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1359157300 FLRKPXQGZXBLIT-VQTJNVASSA-N 436.944 2.168 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1359272315 PELQLEHKAOSSTL-HSZRJFAPSA-N 439.564 2.436 30 10 IEEE CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1359972768 APGRMYPNHCQWRX-CZIZESTLSA-N 439.476 2.472 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1360474512 PLWPAXGURFUUIT-ZDUSSCGKSA-N 441.517 2.236 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2cc(Cl)nnc2C1 1452264272 AUXAPURRADDEGK-OAHLLOKOSA-N 447.948 2.168 30 10 IEEE C=CCCC[C@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1)C(=O)OC 1455838643 UYGORGYASUYPBV-IBGZPJMESA-N 436.574 2.384 30 10 IEEE O=C(NCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccn1 1458025555 LVVZCJVQQKYQDI-DTORHVGOSA-N 431.283 2.441 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCCCC(=O)OCc1ccccc1 1465717965 ALSMWHDTSMBRFL-UHFFFAOYSA-N 443.525 2.145 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc(CC(N)=O)cc3)C2)C1 1468639733 PNEUDHYCFHUNIF-OTQYULQBSA-N 426.517 2.117 30 10 IEEE COc1cc(CNC(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)ccc1C#N 1470081813 FHKDVERXPYYQRI-FQEVSTJZSA-N 429.498 2.253 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)CCOC1 1470264787 HKGUASKWFPKYKJ-DEOSSOPVSA-N 434.496 2.392 30 10 IEEE Cc1nc(N2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)CC2)n[nH]1 1473750926 FEOBKWDMGBCBRL-UHFFFAOYSA-N 436.495 2.292 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC[C@H]2CCCO2)CCOC1 1502668046 AEFRLPAZWOTISH-KNQAVFIVSA-N 433.553 2.256 30 10 IEEE COc1ccccc1CN(CCO)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1504421137 RYDUJQXNDZOTDT-UHFFFAOYSA-N 431.456 2.256 30 10 IEEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)CC1 1505321119 HKGGVBWTPUDDTF-UHFFFAOYSA-N 432.422 2.057 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1507570028 LOUOYBDKWMWJLG-QGZVFWFLSA-N 441.536 2.288 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507622081 FPHRXHKDTDKDLV-LMMKCTJWSA-N 449.621 2.259 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCC2CCCC2)CC1 1507733885 NLPNRIJDLMEPOG-UHFFFAOYSA-N 428.581 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507799099 VGDBQDNZACHIBY-GMAHTHKFSA-N 444.624 2.338 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507848032 UCNKVYIKFOMBAI-UXHICEINSA-N 430.553 2.117 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1507863679 ITANQWXMEXOJSU-MRXNPFEDSA-N 431.884 2.217 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507913672 YGZVLSVOWCPSDY-KRWDZBQOSA-N 438.580 2.127 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1507930037 XJWHYEAFSATAPX-SFHVURJKSA-N 440.610 2.294 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507955283 FMCYBPFXESHVFV-UHFFFAOYSA-N 443.621 2.344 30 10 IEEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507966860 YHOSUVZLWKTXJI-QGZVFWFLSA-N 446.939 2.317 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1508076429 SYGLGSROXLBHKH-HNNXBMFYSA-N 439.507 2.320 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508091044 JXDSQADJUIPWTQ-ICSRJNTNSA-N 443.548 2.016 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)OC)C1 1508117906 PGNKGIZSSVUEFR-MRXNPFEDSA-N 448.593 2.445 30 10 IEEE CCc1nc(CCn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)no1 1513739797 MWBNXGZXJPSBQV-NRFANRHFSA-N 429.525 2.247 30 10 IEEE CN(C)[C@@]1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCSC1 1516998203 HLTDLTCAQLEKDY-OZQHCQBDSA-N 448.637 2.363 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1517719984 AWLAGOGWBCRPKK-GOSISDBHSA-N 440.504 2.044 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1519511143 HIFIYGSRUUEPQZ-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@]1(C#N)CCCOC1 1525705153 MFOHWDILGLYRKA-QFBILLFUSA-N 434.290 2.451 30 10 IEEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1531664085 GCAXUXCRIVGNHW-INIZCTEOSA-N 428.473 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccsc1 1538992789 YJZLNAAHOHVRSI-YCRPNKLZSA-N 434.529 2.348 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc(Cl)cn1 1539193460 BWVQCULYHMYMII-UHFFFAOYSA-N 430.921 2.466 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(CC)CC)CC1 1539437905 JPUMUBUSWDGCNV-UHFFFAOYSA-N 433.560 2.221 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1539557539 WMCSMHQCFFOZBV-HXUWFJFHSA-N 439.651 2.237 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539759357 RQNKFAWORHECSL-QHCPKHFHSA-N 441.532 2.317 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC 1540503989 FAPUPWALFRJKAR-CYBMUJFWSA-N 433.914 2.317 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540872074 BMHZLUMXNNZQDO-KRWDZBQOSA-N 439.495 2.386 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOC(C)(C)C2)C1 1540893961 NUPXVDGDRDMFER-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1540904371 MNEIYTGKQDBHAG-UHFFFAOYSA-N 439.626 2.162 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)cc1C 1542431251 QPQKWUPYGOJMRA-MRXNPFEDSA-N 434.447 2.158 30 10 IEEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C 1547838538 DMNGXRAXDXBMNT-UXHICEINSA-N 440.548 2.219 30 10 IEEE COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556074411 UAEJESVOFMLJRM-INIZCTEOSA-N 432.473 2.417 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C 1557112839 NURRXPVOIDVCLP-MPGHIAIKSA-N 435.546 2.194 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 1557384220 KFAPDJJTHNDUMC-LJQANCHMSA-N 431.489 2.287 30 10 IEEE C#CCOc1ccccc1CNC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1 1563553004 WPXQWWQOPPINBS-UHFFFAOYSA-N 444.532 2.015 30 10 IEEE Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)N[C@H](C#N)CO)c2)c1 1569055297 PVBAMWMHJBHYSB-CYBMUJFWSA-N 438.303 2.173 30 10 IEEE C#C[C@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC 1569721172 BDXBUEBZCSNNSP-DOMZBBRYSA-N 427.295 2.134 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1584318994 FMLLBMAMGPFSNJ-PONJGIIJSA-N 440.537 2.042 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1584756792 TZGMTVACWQVVLY-UHFFFAOYSA-N 428.489 2.299 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1585916786 MYQFWBMDUGCPHL-DCLXLUIPSA-N 440.544 2.249 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1586376934 CCTFBYPWDGUGDJ-OAHLLOKOSA-N 432.498 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1(=O)=O 1587574904 MVOGSVFRWKPAIJ-TZMCWYRMSA-N 440.367 2.461 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1594559359 JFLLTDJOTOGDCE-CQSZACIVSA-N 439.504 2.356 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1594961550 CCQJLBFKQZGBTJ-GJZGRUSLSA-N 432.546 2.183 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cnc(C)s2)nnc1[C@@]1(OC(C)C)CCOC1 1595595721 YNDMEQPFXHPKIF-HXUWFJFHSA-N 434.566 2.022 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC(C)(C)C)C1 1595673884 KZLHNKKXEJBPBZ-INIZCTEOSA-N 441.536 2.012 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1596792428 WJMPBZYTBLEOJT-AUSIDOKSSA-N 448.612 2.150 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)C2)c(F)c1 1606642286 RVBFFSAMQOATFB-KBPBESRZSA-N 430.871 2.068 30 10 IEEE CCOC(OCC)[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1608199998 DHESEQUZNWDAHI-GOEBONIOSA-N 425.551 2.044 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCn2ncc(I)c2C1 1611669168 NDNMBEWJWHIHES-INIZCTEOSA-N 444.273 2.092 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1 1613011961 YOTDATBIEDYOFC-ICSRJNTNSA-N 441.532 2.397 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@](C)(O)CCOC 1616883850 DHFCJRDZCNPLPG-QHCPKHFHSA-N 442.564 2.190 30 10 IEEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1628481166 QXOAOEBTFOYAQV-ZDUSSCGKSA-N 427.332 2.164 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1CC1 1629022655 XEIYAYDKQMIXPH-ANZKDXPISA-N 439.578 2.197 30 10 IEEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1635967187 GXOIFTVNTFYBAK-UHFFFAOYSA-N 439.497 2.363 30 10 IEEE N#CC[C@@H](C(=O)N1CCN(c2ncc(I)cn2)CC1)c1ccccc1 1643192337 CDOSVOUWFKNKFE-MRXNPFEDSA-N 447.280 2.427 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1645159183 WNKLFHKAAMDOKC-UHFFFAOYSA-N 446.596 2.452 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCC1CCN(C2CCN(C)CC2)CC1 1653509870 NOQPETZKIKXRRJ-UHFFFAOYSA-N 436.600 2.414 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 1662476422 MWLKFICIHLUTIJ-UHFFFAOYSA-N 430.526 2.200 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 1676058893 JUQBNGUGRPCQDZ-CQSZACIVSA-N 444.479 2.367 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1676153956 LNYYQAPQRWHWSB-UHFFFAOYSA-N 430.549 2.441 30 10 IEEE C#CC[C@@H](CO)NC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1678354312 CIKAADWXJLJIHI-PMACEKPBSA-N 429.542 2.006 30 10 IEEE N#Cc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl 1680522456 RXZVWVACFZSJEF-UHFFFAOYSA-N 432.933 2.446 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689979474 CAUPKTKEHWBVKX-GOSISDBHSA-N 435.638 2.324 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689979599 DNUUWNBORARWFR-OALUTQOASA-N 435.638 2.324 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)OC)CC1 1690152354 INZOUNHYDIJRPA-UHFFFAOYSA-N 443.523 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)OC)CC1 1690152555 PHQXDKWFUPZGRP-GOSISDBHSA-N 439.560 2.420 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@](C)(O)c2ccccc2)CC1 1690364264 MOOHWZQWLORYNC-UWJYYQICSA-N 433.578 2.343 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCN(C)C1 1690556195 PBBCSENBPMHLRQ-XXBNENTESA-N 427.549 2.050 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1690666031 WVIZFHJCLHUNFP-UHFFFAOYSA-N 437.504 2.331 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CN2CCCC2)C1 1690685278 ZJLIQNAZENLIMX-IBGZPJMESA-N 430.597 2.417 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(F)c1 1692535419 CJSDVUMDLZWBIM-UHFFFAOYSA-N 448.506 2.197 30 10 IEEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1696719544 DRPXVQPOFSWJRF-UHFFFAOYSA-N 437.529 2.192 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1697035065 VHEWMHXABVDELG-RBUKOAKNSA-N 425.489 2.012 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCOCC2)C1 1698482545 DDWBQEVLRWTDRD-NRFANRHFSA-N 443.483 2.408 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4cccnc4)n3CC(F)(F)F)CC2)c1 1698488411 HDUGNJJVDUHUQG-UHFFFAOYSA-N 428.422 2.419 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1705493512 KCWPMFRZFWFUSZ-GDBMZVCRSA-N 426.487 2.352 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705568939 AZHIAEODLGEZRX-NZSAHSFTSA-N 448.614 2.108 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3)CC2)CC1 1705644581 VVSQKSXETYBUCE-UHFFFAOYSA-N 448.571 2.114 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705706185 QPTINMNKFJMWGM-DSKINZAPSA-N 445.589 2.259 30 10 IEEE C=C(C)CN(CC)c1nnc(CCOc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1705719129 MOZZOTSHIFTLBI-UHFFFAOYSA-N 448.589 2.242 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCCNS(C)(=O)=O 1707663278 RWDSTCGUKXQWAL-UHFFFAOYSA-N 430.578 2.247 30 10 IEEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1709674724 HFSSMHSFFUVCAO-UHFFFAOYSA-N 446.577 2.105 30 10 IEEE COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)cc1O 1711831246 CRXQGABIWOOEAR-UHFFFAOYSA-N 436.472 2.264 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1722367487 LWLGTYGMVLOXKS-ROUUACIJSA-N 445.614 2.418 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722518842 QCGMKGUYFNSORH-AWEZNQCLSA-N 434.342 2.178 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1723770629 BPVDDFMHLDMAAH-VLIAUNLRSA-N 431.566 2.138 30 10 IEEE C[C@@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1723967866 BVBKYOHOEQGWNI-XMSQKQJNSA-N 443.573 2.218 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCc1nnc(C)s1 1729033834 NQIUNTOKHBXMPF-UHFFFAOYSA-N 440.533 2.142 30 10 IEEE CN(C)C(=O)CCn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729307289 WLUOUSCVHHTLJP-UHFFFAOYSA-N 445.527 2.077 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCSC(F)(F)F)CC1 1740689373 CJZPOKZFWHIDRJ-UHFFFAOYSA-N 432.516 2.205 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1740692419 KIXGBEZRWRNKTI-HFMPRLQTSA-N 445.608 2.135 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740714376 WROYVBMKOGGJOV-UHFFFAOYSA-N 447.630 2.480 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740723697 SKGWJSCJMKNOQK-LJQANCHMSA-N 443.548 2.484 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740952901 QLCNFIXHRVGJEL-RBUKOAKNSA-N 445.589 2.136 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 1740979591 AOTYXONNPYHUEN-YESZJQIVSA-N 434.487 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740994092 MKYIHWHCFFRVTH-RXVVDRJESA-N 440.610 2.402 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1 1741885180 BSZWKIOFLKTGAG-MRXNPFEDSA-N 431.562 2.381 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCOCC1 1743676337 CSFFVZWDQBEKDE-KRWDZBQOSA-N 439.564 2.439 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCOCC1 1744050119 AGEAWHCJOCNZFT-NRFANRHFSA-N 436.532 2.224 30 10 IEEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cs1 1744494318 HIRTWXVAFLIAAZ-HNNXBMFYSA-N 434.591 2.377 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1745579310 FGTXVLIDOAPWMS-DVECYGJZSA-N 435.576 2.463 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1745953196 BJIOHGFBZVIBNK-INIZCTEOSA-N 443.558 2.038 30 10 IEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1746545099 AUCUQMIWXMPQAR-UHFFFAOYSA-N 436.476 2.305 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1748712440 HLHCUMAAVHORRF-UHFFFAOYSA-N 430.578 2.420 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1748747968 QCWXLEJBMRBMGG-MRXNPFEDSA-N 426.521 2.112 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1748984180 HQNFMWRPPHOMLO-UUOWRZLLSA-N 439.560 2.269 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1749159450 VCUPJIQTAVJYCG-VJANTYMQSA-N 437.610 2.450 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749228728 CCDWNEVNDWOBAP-QGZVFWFLSA-N 426.583 2.168 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1749583000 SUTCXNNLUUAYQP-IXFSTUDKSA-N 446.596 2.294 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1749685998 OCOMRGULSCPKNT-AZUAARDMSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC[C@@H]1C 1749738647 SXQCFFGAYQDDLW-SFHVURJKSA-N 434.562 2.300 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CC(F)(F)Br)c1 1750381838 HEBXORNYDUZMHL-BETUJISGSA-N 426.221 2.366 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760158826 UAMVRRDZXYBJHR-KRWDZBQOSA-N 428.924 2.480 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1760234279 LRFDFSZYCJYBCR-INIZCTEOSA-N 437.591 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1nccs1 1760242530 GQYXUXXFESLWMR-OAHLLOKOSA-N 425.518 2.272 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCc1nnc2n1CCCCC2 1760249543 NNTXFRACOCQNRH-SFHVURJKSA-N 427.553 2.166 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCC(=O)NC(C)(C)C)n1 1760252449 OAWRAEGREDESAQ-UHFFFAOYSA-N 443.596 2.363 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1760256956 MDWOJMPVXKLUJS-DPLHUUCSSA-N 445.608 2.137 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2)CC1 1760260919 HWUINDUUEKXKEU-NRFANRHFSA-N 433.560 2.362 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2csc([C@H](C)OC)n2)CC1 1760271839 OKJQGBLWXLDTBF-HNNXBMFYSA-N 442.589 2.409 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760284054 GGQLENDJBVSHOH-PZJWPPBQSA-N 440.617 2.177 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760316900 XZVXLODFMAMUDC-UGKGYDQZSA-N 430.597 2.139 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760427435 AJGWNMNIWYOCPB-DYESRHJHSA-N 448.593 2.022 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@H]1C 1760478226 ABKUZFOKPZCJCO-GAJHUEQPSA-N 438.532 2.020 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(c3nccs3)CC2)nnc1[C@@]1(OCC)CCOC1 1760529053 VRHLRWSURMIQKT-OAQYLSRUSA-N 446.577 2.073 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCSCC1 1763756137 RUSGEOCVRGLHRE-SFHVURJKSA-N 440.621 2.434 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1764171831 VJJLLNPJFOMROX-IBGZPJMESA-N 447.547 2.126 30 10 IEEE CN(C)CCOCCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768521435 OEGHDQKIMPHLHT-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1769500192 MHTCHEVTNJJMCF-VQIMIIECSA-N 440.504 2.042 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)CCO1 1770746432 FYWOOQBPDIRXHU-OAHLLOKOSA-N 432.326 2.026 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc(C3CC3)n2CC(=O)NCC(F)(F)F)CC1 1771533877 CDMDNNPLALNHED-UHFFFAOYSA-N 447.465 2.422 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(F)(F)F)CC1 1771533905 DMKSYAGOIFLBBB-OAHLLOKOSA-N 448.453 2.165 30 10 IEEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4cccc(C#N)c4)CC3)cn2)cc1 1849763359 KNIAIWPVGAQYCG-UHFFFAOYSA-N 429.480 2.139 30 10 IEEE COc1ccc(CN2CCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)CC2)c(OC)c1OC 1851794811 AEXREVSLUAHNRN-UHFFFAOYSA-N 449.511 2.429 30 10 IEEE N#Cc1cccc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4CCCS4)C3)CC2)n1 1857116564 JXADQDKBIIBVRK-HKUYNNGSSA-N 428.558 2.315 30 10 IEEE C=CCn1cc(O[C@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c(=O)cc1C(=O)O 1857889937 AXVQZKBXWKLEJX-CHWSQXEVSA-N 426.425 2.126 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](C(=O)Nc3ccccc3C#N)C2)cc1S(=O)(=O)N(C)C 1858375322 XQLVSNMEDSZZTJ-GOSISDBHSA-N 440.525 2.218 30 10 IEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N2CCCNCC2)sc2c1CCC2 1858814340 XUTLENXREAYBGC-UHFFFAOYSA-N 440.529 2.348 30 10 IEEE COc1ccc(CC(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)cc1 1860853724 GXUPMJPDGZCSKE-UHFFFAOYSA-N 432.440 2.210 30 10 IEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1860971749 YEVUOBCPRIIUSD-DYESRHJHSA-N 434.496 2.040 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cccc(O)c2)cc1OC 1862570669 BIFQDHYIDPDTGQ-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(F)cc2)CC1 1866868637 WBSGISYIURVVEI-ROUUACIJSA-N 430.505 2.280 30 10 IEEE CC[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1867223724 VXXQGIXUALPXIC-IBGZPJMESA-N 435.528 2.466 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1 1869041205 DCZWIZUFJKLPBJ-BBRMVZONSA-N 447.337 2.190 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1890715698 GEKXXRLKUHUHIM-LJQANCHMSA-N 425.982 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1999432214 ZGPVYUYSRQWNMZ-ROUUACIJSA-N 438.569 2.439 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)Cc2c(Br)nnn2C)C1 2126627867 RKSHNBQRPPAPPX-UHFFFAOYSA-N 428.331 2.397 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669144 AMGXEFJNSJFXPT-PBHICJAKSA-N 447.341 2.249 30 10 IEEE Cc1nc(S(=O)(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)c(Br)n1C 2163712747 DQZRZKNXMWNYDT-GHMZBOCLSA-N 446.176 2.204 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229103070 SNWBIXDVFYDMPQ-CVEARBPZSA-N 425.323 2.385 30 10 IEEE C[C@@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243685197 OXYUTMHGWVOMBG-LBPRGKRZSA-N 425.360 2.362 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)NCCc1cccc(I)c1 2245267123 LYIFNEUFMNONOG-UHFFFAOYSA-N 428.270 2.478 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2248419765 HHKFVQHPRUMFDL-UHFFFAOYSA-N 437.371 2.458 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248441290 FRSIBGHLWOICSN-UHFFFAOYSA-N 427.257 2.479 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630988 RWNLPTJAWSDQID-KBPBESRZSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267089240 BMUSUKRPSYTPAZ-CQSZACIVSA-N 448.373 2.332 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267100273 SBKKDPOOQYVUMB-HNNXBMFYSA-N 446.357 2.180 30 10 IEEE CCN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(Cc2ccccc2)C1 2267188448 MGTKLABGVOICLU-LJQANCHMSA-N 438.381 2.456 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2267500911 QCQWJBNZJVQCPQ-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 2267529517 MNDFGHLZDSRVFB-FXAWDEMLSA-N 438.381 2.453 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267529768 POUXADXNZUCMIE-CQSZACIVSA-N 448.373 2.474 30 10 IEEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267550118 VEZPQDCUBYWYJO-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267592335 CVJRDINBVLGCNM-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE COc1ccc(C=NNc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)cc1 2328608054 ZIDRJXFYHPEODT-UHFFFAOYSA-N 432.484 2.245 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263103 JYYATVYOYPNAJK-FMKPAKJESA-N 446.357 2.227 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2337200383 HIYBODYMLIORRW-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(C)c2)[C@@H](C#N)C(=O)N3)C1 72445765 NPUHARXPMDMMBO-ZACQAIPSSA-N 435.484 2.082 30 10 IEEE CCN(CC)c1c(/C=N/Nc2nnc(SCC(N)=O)[nH]2)c(C)nn1-c1ccccc1 253563527 FNGXFDDJSHOTBV-SRZZPIQSSA-N 427.538 2.168 30 10 IEEE C=CCn1c(=NC(=O)c2ccc(OC)c(OC)c2)sc2cc(S(N)(=O)=O)ccc21 254861880 ISQIVAQFAHFEMO-UHFFFAOYSA-N 433.511 2.295 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(C)cc2)C1 256032549 GRRMIJSRBSKMSF-BRWVUGGUSA-N 435.484 2.494 30 10 IEEE N#Cc1cccc(-c2cc(C(=O)N3CC(S(=O)(=O)N4CCc5ccccc54)C3)on2)c1 447561260 HDBVUOKXWBWVES-UHFFFAOYSA-N 434.477 2.430 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 448290438 HPFOMGYYFANFPN-UHFFFAOYSA-N 436.438 2.343 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCCCC#N)C1=O 474393972 IZRBAIHPYWMCJV-ZWKOTPCHSA-N 435.546 2.284 30 10 IEEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)s1 476321335 OVOQFMFJTSEDPR-UHFFFAOYSA-N 426.564 2.246 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 478731045 DXDZTBBNTIDSRT-QGZVFWFLSA-N 448.548 2.004 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)c(F)c1 479720857 ZCDROEXMAFAKDX-UHFFFAOYSA-N 435.503 2.131 30 10 IEEE N#CC1(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CCN(Cc2ccccc2)CC1 482536083 QPFPVSISBIQPAY-ZJOUEHCJSA-N 441.601 2.387 30 10 IEEE CCCc1c(NC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)cnn1-c1cccc(C#N)c1 488710422 DUCLYSPTOUHEBN-CABCVRRESA-N 440.504 2.274 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CNC1(CO)Cc3ccccc3C1)CCCC2 495006199 LMPKCQDLBWSOCO-HXUWFJFHSA-N 448.567 2.476 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 508951870 OFWZUMWDKZXKGC-LPHOPBHVSA-N 445.951 2.485 30 10 IEEE COc1ccc2c(c1)CCC[C@]21NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513784122 LIPIKBWJEZTDOX-QFIPXVFZSA-N 439.493 2.124 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1C#N 515664724 BKCRYBMQOSXHNT-UHFFFAOYSA-N 443.484 2.228 30 10 IEEE C=CCN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 541574712 MXFWZOVBNWJKAC-GFCCVEGCSA-N 425.304 2.106 30 10 IEEE CSCC[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 546876711 ILMKCILXOWZQSF-LJQANCHMSA-N 449.536 2.020 30 10 IEEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1cc(S(N)(=O)=O)ccc1C 548952880 WFQLKBOEKLPQKN-UHFFFAOYSA-N 444.900 2.430 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 555250171 DFAYAGVGLSVFSF-UNMCSNQZSA-N 438.576 2.358 30 10 IEEE N#Cc1ccc(CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 603782961 OTHKLEKJAZFXHR-UHFFFAOYSA-N 447.538 2.157 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1C#N 604001289 JFPDHXJKWUZCEM-UHFFFAOYSA-N 448.935 2.453 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)cc1C#N 609922140 WKVHRZIYPCSEQX-HNNXBMFYSA-N 440.525 2.441 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669381 NLFYOLZNEJHXJN-UHFFFAOYSA-N 442.500 2.287 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1C#N 747497716 JKUNHSKFTVPZSY-UHFFFAOYSA-N 448.401 2.422 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772276926 LAQDNVBKHFGGGM-UHFFFAOYSA-N 448.454 2.408 30 10 IEEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)cc1 783070759 WTVSLKNLXSGJDK-QGZVFWFLSA-N 431.489 2.046 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@]3(C(=O)OC)C[C@H](OCC)C3(C)C)ccc2c1=O 797755326 CQSUPYLLEUOZLO-KSFYIVLOSA-N 445.541 2.348 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)ccc1F 798786974 ITNCDDSKPJQUFV-KXBFYZLASA-N 445.516 2.209 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(C(=O)OCC)CCOCC2)n1 806408402 AMEYDRADEHFPEG-UHFFFAOYSA-N 437.547 2.099 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2ccc(=O)n(C)c2)no1 809478806 YURCBHMKLDPKHL-OAHLLOKOSA-N 427.486 2.261 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 809896242 ISIGNAAAYZYFEF-HZPDHXFCSA-N 444.540 2.243 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2)n1)NCc1ccc2c(c1)OCO2 1084105907 FYRGAUGYRSNXHH-UHFFFAOYSA-N 426.458 2.094 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCOC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1122643718 MCIUTQVSNWFEMA-HKUYNNGSSA-N 443.500 2.480 30 10 IEEE CC(C)c1ccc(-c2noc(CCC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)n2)cc1 1159489387 DDYZGCKGBRJJLO-UHFFFAOYSA-N 434.456 2.010 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ccc(F)cc2F)CC1 1171541505 DNDSUVPKINWHHK-UHFFFAOYSA-N 448.495 2.132 30 10 IEEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCN(CCc3cnccn3)CC2)c1 1175291978 NIQPSLNNSLMSAA-UHFFFAOYSA-N 427.512 2.356 30 10 IEEE N#Cc1cc(Br)cnc1N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1185848645 PPYBMSLKXSKTFL-AWEZNQCLSA-N 427.258 2.217 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 1192922680 IUFKJOGSKSGNIC-UHFFFAOYSA-N 429.542 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286271598 UCJXXKPRQMFVOF-INIZCTEOSA-N 425.537 2.452 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1286386611 DUOJBTJTMNOXGD-MRXNPFEDSA-N 442.570 2.034 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCOCC1 1286436159 BEUZCSBEIIZDRS-HNNXBMFYSA-N 435.370 2.226 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1286471163 HEPOSZCAZUSDHE-JPYJTQIMSA-N 443.523 2.118 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@@H](OCC)C(C)C)CC1 1286479586 MXQJCTOQTBIKPB-LJQANCHMSA-N 442.564 2.212 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCn2c(nc3c2CCCC3)C1 1286497466 TXVALXDUAUWXKO-KRWDZBQOSA-N 444.605 2.464 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286784136 AJALKWMZNMXUKF-UHFFFAOYSA-N 446.559 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1286819909 ZFQYIIVKQPFANK-IBGZPJMESA-N 432.546 2.343 30 10 IEEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1F 1287090457 HQKVRCCTYQHMGP-INIZCTEOSA-N 426.496 2.360 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1288267694 NFCCIPJIQLOLMA-RUZDIDTESA-N 448.523 2.238 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCn2ccnn2)CCOC1 1288304702 HOHBHCCJSVEUQQ-NRFANRHFSA-N 428.541 2.131 30 10 IEEE O=C1CCCCN(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1289424439 KDXJJSUTSKWZKJ-DTORHVGOSA-N 436.299 2.197 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCC(F)F 1297270668 FMLRUIATCWIEBY-UHFFFAOYSA-N 438.454 2.434 30 10 IEEE CN(c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1298131378 VISOBOMDLAXBEJ-OSCRUYLVSA-N 442.907 2.350 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1300399746 PUBADJGXDKBOIV-HXUWFJFHSA-N 441.557 2.260 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 1300408531 AIPFPXLJLLIWSS-CVEARBPZSA-N 437.591 2.283 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300413544 XLXDEIHDGCTJML-SFHVURJKSA-N 427.516 2.054 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC 1300671482 JPLHWOFJOLNGBG-LJQANCHMSA-N 446.573 2.022 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300868578 FPOCDLCVTHICIL-LEWJYISDSA-N 445.589 2.220 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301174688 SUNJUBPAPAYIAJ-MIALQEHNSA-N 441.598 2.017 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1301188850 OWQKMGUGIRUCOY-MRXNPFEDSA-N 447.552 2.449 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC1CC1 1301271434 ZTESLJKFFXNCCJ-UHFFFAOYSA-N 428.356 2.483 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1301415552 WGIRTLPUZBBCCI-ZWKOTPCHSA-N 438.536 2.375 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1301508455 MEAMXRHAPQSHGN-UHFFFAOYSA-N 449.559 2.100 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C)C1 1301518537 ITKOTQIMDKCFOJ-HOTGVXAUSA-N 431.562 2.495 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCCN(C3CCCC3)CC2)n1Cc1ccc(C#N)o1 1303396727 QZPNANHSBRBPQF-UHFFFAOYSA-N 425.537 2.384 30 10 IEEE C=CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1312676319 XZRLSVSNWSWWJP-UHFFFAOYSA-N 444.557 2.113 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn2ccsc2n1 1358983985 DKAWKMWDUZKWNE-UHFFFAOYSA-N 430.497 2.146 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 1359038816 LZSYUTNKOWVDHJ-OAQYLSRUSA-N 447.992 2.134 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1359056414 FDFNYDPWVSIVBQ-QGZVFWFLSA-N 446.598 2.118 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 1359058775 PDONPUFZANHCFQ-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359070845 WMPFHCXEBPTJAU-JPAWQOSXSA-N 433.622 2.293 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359098612 DAFFSPTVPKVPEZ-FPOVZHCZSA-N 446.596 2.032 30 10 IEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(=O)(=O)CC 1359233917 VRONTRCITKONIJ-UHFFFAOYSA-N 446.346 2.408 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1359291467 QSYPEBJAWRXNGM-WOZUAGRISA-N 432.613 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CC[C@H]1C2 1359335696 RYNBCBUEUWIRIR-IRXDYDNUSA-N 432.546 2.455 30 10 IEEE Cc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)N2CCOCC2)o1 1361138740 CDGSOKOOWCUSAI-LPHOPBHVSA-N 438.536 2.249 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OCC 1438906867 FRONSMJPCPJZFJ-CQSZACIVSA-N 447.351 2.327 30 10 IEEE C#C[C@@](C)(CC)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1463739185 ZSKUMYPJWZFKHL-HNNXBMFYSA-N 435.283 2.466 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1464643638 XTWPZSGHJKKQCQ-JOCHJYFZSA-N 426.473 2.144 30 10 IEEE N#Cc1cc(Oc2ccc(NC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)cc2)ccn1 1466754573 DZZUSQWYXNOCAW-UHFFFAOYSA-N 427.486 2.387 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(CC)c(Cl)c2)CC1)c1cc[nH]n1 1467952543 FAGODJAJOKGNHF-UHFFFAOYSA-N 447.923 2.258 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 1470296620 ITBAEKGUYGUIJS-DNVCBOLYSA-N 435.509 2.214 30 10 IEEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1470463428 UIFBPAGIEZWONC-FQEVSTJZSA-N 430.530 2.120 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CCS2(=O)=O 1471537849 DYRWOPGNNACZHG-LFLNWHNVSA-N 433.530 2.160 30 10 IEEE C=C(C)Cn1c(SCC(=O)NC[C@H]2[C@@H](C(=O)OC)C2(F)F)nnc1-c1ccco1 1471624808 OGFMLUUECSSGOQ-FZMZJTMJSA-N 426.445 2.377 30 10 IEEE CCOc1ccc(NC(=O)CN2CCN(C(=O)Nc3cnc(OC)c(C#N)c3)CC2)cc1 1477077334 GVHXFBGKLVDYHE-UHFFFAOYSA-N 438.488 2.149 30 10 IEEE COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478419775 CUVVGYXJOBWYIA-OAQYLSRUSA-N 427.549 2.053 30 10 IEEE COc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c(OC)c1OC 1504241254 GQDZELKLLFJKSG-GDBMZVCRSA-N 442.520 2.236 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1505317571 ICKQCBROIZIGEP-FQEVSTJZSA-N 442.886 2.117 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCOCCCO)cc1 1505318446 IADMAEVCEUUNLP-CTNGQTDRSA-N 441.532 2.133 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507627566 KHHNWFIBSUGKPZ-INIZCTEOSA-N 437.953 2.045 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1507687070 KVCDGGOITQQGGF-HKBQPEDESA-N 440.573 2.199 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1 1507702566 MPWQKMKBSMUKMU-JTSKRJEESA-N 426.521 2.359 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1CC1CCN(C(C)=O)CC1 1507711379 AQNBJWDCZIVXTR-UHFFFAOYSA-N 439.560 2.222 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](OC)[C@H](C)CC)CC1 1507723695 QUASDUNBKMRUOW-YLJYHZDGSA-N 449.559 2.410 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1507916689 TXBIZKSYDZTOEZ-HNNXBMFYSA-N 449.543 2.467 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507931066 QUQGFZWTCVEPDR-UHFFFAOYSA-N 433.582 2.342 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1507982535 NBFSLWLMYRZOJQ-RBUKOAKNSA-N 427.553 2.126 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1509949547 AIZQTVDXXIOEAY-VQIMIIECSA-N 435.532 2.138 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1Cc1nnn(C)n1 1510246742 HCMZHCRUCIQCJB-AWEZNQCLSA-N 425.472 2.259 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1514552704 CZPVGWCGVAOCJM-HXUWFJFHSA-N 440.548 2.066 30 10 IEEE CCN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1515427633 QBBDVLCUBGEYPI-QQMHEVNUSA-N 428.537 2.467 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1515581770 ZMLZNJCFUMFSGC-YADARESESA-N 435.576 2.463 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)c1ncc(C)s1 1519449127 KMMRHKKGPZBMGX-XBVQOTNRSA-N 432.550 2.300 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C[C@H]1OC 1519502324 XFQDWGWFHQAZLY-BGYRXZFFSA-N 434.456 2.092 30 10 IEEE CNC(=O)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)Cc1ccc(F)cc1C 1526604474 FQRGYXYXCVJLQU-MOPGFXCFSA-N 436.487 2.080 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1528550086 GNEZUVVSEPMDNS-BGYRXZFFSA-N 447.491 2.369 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(CC#N)cc1)n2C 1530269250 WLAWJAVPRXLHEB-UHFFFAOYSA-N 439.541 2.139 30 10 IEEE C#CC[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1533967357 HXEHQUJJSZHISS-QGZVFWFLSA-N 432.542 2.120 30 10 IEEE N#Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc2n1CCOC2 1537672210 GTGNTRQZVFSLDG-UHFFFAOYSA-N 429.502 2.102 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539133015 ARUMCNQOWOABRX-UHFFFAOYSA-N 434.588 2.221 30 10 IEEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)cc1 1539198566 ZTYUVKMKANHPFS-YADHBBJMSA-N 440.500 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCS(=O)(=O)C1 1539279211 YGSWRWPTPXOPBA-LJQANCHMSA-N 440.569 2.317 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1539344610 DMASGGDXFAEKIE-LJQANCHMSA-N 438.454 2.441 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)c(F)c1 1539397067 XPZCIXMGAWQHTN-UHFFFAOYSA-N 426.427 2.338 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C/C=C/CC)CC1 1539445630 BHPOAFMYDLSRIW-JXMROGBWSA-N 431.544 2.396 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1539462919 PUMATQLZDUCRLV-KJJMTIBFSA-N 445.608 2.209 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539525319 XVKINOKYFWIFRI-QFIPXVFZSA-N 444.626 2.445 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539917861 XUIOXGPFCFFIJY-GOSISDBHSA-N 430.597 2.175 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1540867652 CHGITFAYKWKQJP-KRWDZBQOSA-N 438.511 2.436 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1540874696 OPMXHKQZJIEXGI-AZUAARDMSA-N 436.516 2.036 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCO[C@H](c2ccccc2)C1 1540909059 WEVXOIPVOBNPNP-IBGZPJMESA-N 434.562 2.383 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC)c(OC)c2OC)c1 1542776177 OEXJFNJOAKYIDT-UHFFFAOYSA-N 431.510 2.482 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c1 1543677630 ACYPKVBRUHTIIW-INIZCTEOSA-N 435.864 2.312 30 10 IEEE CNC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1554416181 VSPZPFMOVRCLCJ-UHFFFAOYSA-N 444.543 2.403 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1555700791 VGVXPHFUYMIGEG-JOCHJYFZSA-N 443.573 2.317 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCSCCCO)c1 1555987819 OFAJWRTXOBGNBH-UHFFFAOYSA-N 436.532 2.319 30 10 IEEE C[C@H]1CN(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)C[C@@H](C)O1 1556447132 BKIKQDYSAKDITJ-OKILXGFUSA-N 432.477 2.384 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)C1 1557239298 BIXTVIALTMQZJP-WERVVEIQSA-N 427.574 2.321 30 10 IEEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCc1ccc(C#N)s1 1564953338 DWNXTHOVEOICEX-INIZCTEOSA-N 430.530 2.007 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)F 1568509095 YEHNAXAFCGFWPX-HOTGVXAUSA-N 436.459 2.324 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)s1 1568731465 LVQOSIWYMQZQHA-UHFFFAOYSA-N 441.918 2.378 30 10 IEEE C#CC[C@@]1(C(=O)N2CCN(c3ccc(OCC)nn3)CC2)CCCN1C(=O)OC(C)(C)C 1585401337 KFVBFPSNFSRVKI-QHCPKHFHSA-N 443.548 2.317 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1587638496 FRFVWYAMNSEFNE-AZUAARDMSA-N 429.590 2.160 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1587758553 BUUCSBUXAALGES-QFIPXVFZSA-N 449.603 2.291 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CCC)C1 1587922187 VDGUKDMYBYCSCU-GOSISDBHSA-N 443.621 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1([S@](C)=O)CC1 1588113063 FHRQFSYSNRROSD-PMERELPUSA-N 426.542 2.336 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1N(C)CCCC1(C)C 1588159009 OETCSCAZZHSDDF-LJQANCHMSA-N 438.601 2.463 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(=O)N(C)C)c1 1588637488 GQZPTCGTABQILW-HXUWFJFHSA-N 425.533 2.356 30 10 IEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594752888 SYPXWLPZROLSEP-LJQANCHMSA-N 438.532 2.339 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1594820068 SBFXMUGSEUTSSR-HSZRJFAPSA-N 426.565 2.158 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(OCCN2CCCC2)CC1 1595516217 BLFRBWOYWYKLSE-UHFFFAOYSA-N 438.576 2.329 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CCC3)[C@H]3CCOC3)CC2)cc1 1595531349 LFWFSFFPFGEPRO-PZJWPPBQSA-N 431.558 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CC(C)C)C1 1595760590 QOQZHKORDTYQCM-QGZVFWFLSA-N 446.577 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(C)noc1C 1595788446 AQUVPUFWBWGUGJ-UHFFFAOYSA-N 430.534 2.491 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1596832535 WHSBDFCBJXKJMZ-IAGOWNOFSA-N 448.568 2.487 30 10 IEEE N#Cc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)ccc1Br 1597753356 GJFSLPHUYXHTJS-INIZCTEOSA-N 447.264 2.001 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1598054889 MLWJDQPEUKVCNW-MRXNPFEDSA-N 446.577 2.249 30 10 IEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1607919055 FZGVWTYUOODILV-LJQANCHMSA-N 439.564 2.161 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1611251454 CMWGEWQYASRSRG-KRWDZBQOSA-N 442.379 2.305 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C#N)CC2)CC1 1620158511 BGIXLZHFARUANP-UHFFFAOYSA-N 444.517 2.418 30 10 IEEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 1620178444 GLZUUTCXAQDNTP-DHMKHTPVSA-N 439.463 2.495 30 10 IEEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@](C#N)(c2ccccn2)C1 1620484434 XGVJMTGMDSVDQE-WAIKUNEKSA-N 435.484 2.447 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@H]2CCCN(CC3CC3)C2)c(C#N)cn1CCOC 1623545224 GYRYKUNUKLMBMO-QGZVFWFLSA-N 431.537 2.426 30 10 IEEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC(C)(C)C 1624771960 SIERMTIKRMTHNU-UHFFFAOYSA-N 449.573 2.348 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1)c1cc[nH]n1 1625603904 MPWUJDPNSFDXML-KRWDZBQOSA-N 441.532 2.384 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)c1 1626149816 HIOLIKUYRHRGEA-UHFFFAOYSA-N 439.516 2.490 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 1632437091 UCRUXRKPERDRNZ-OAUYIBNBSA-N 430.306 2.350 30 10 IEEE Cc1cc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)c(C)n1-c1ccc(C#N)cc1 1632819940 DBDKAUOIALMHCD-UHFFFAOYSA-N 434.544 2.091 30 10 IEEE C#CCCN(CCOC)C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1633288409 SJIMMSVPJSGVQP-UHFFFAOYSA-N 435.590 2.430 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cs1)C(N)=O 1635421493 PSWZQYZLWXLNQW-JSGCOSHPSA-N 430.559 2.021 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1F 1636179171 FUCAFQHSDDZAKY-UHFFFAOYSA-N 434.468 2.489 30 10 IEEE C#CCC1(O)CCN(C(=O)CSCC(=O)Nc2cccc(Br)c2)CC1 1636664293 GMNYYTZWTRDKCC-UHFFFAOYSA-N 425.348 2.498 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(-c3ccccc3OC)no2)c1 1641316120 RESGJYQXQWZVPQ-UHFFFAOYSA-N 425.466 2.192 30 10 IEEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nc2sccc2c1=O 1643495262 UKYNZXCUOIZNGI-UHFFFAOYSA-N 448.492 2.215 30 10 IEEE COC1(OC)CCOC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1648203867 FZAIMXOEHVJQIR-HXUWFJFHSA-N 444.507 2.470 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC[C@H]2CCCN(CC#N)C2)C1 1650833794 INHAEOBPSASLNE-ZRCGQRJVSA-N 428.533 2.154 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 1650951421 CZMOVVONRJWIRX-CQSZACIVSA-N 428.348 2.236 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCN(O)C(=O)C1(n2cc(Br)cn2)CC1 1654814065 KQGJLUUVXGNQKL-UHFFFAOYSA-N 433.262 2.039 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1665727818 IZLHMEQFSKDZLR-DEOSSOPVSA-N 448.408 2.180 30 10 IEEE C#Cc1cccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)c1 1666789444 ZQWNKJOCLXVDOZ-UHFFFAOYSA-N 426.542 2.316 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(S(N)(=O)=O)CC3)cc2Cl)cc1 1673678240 DVCPVCIAAZPOJC-UHFFFAOYSA-N 435.893 2.357 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 1673977798 BYCLKMKWHPNMKC-UHFFFAOYSA-N 434.562 2.153 30 10 IEEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CCCC1 1674041688 HLPNXMFQKUYMCO-OAQYLSRUSA-N 447.605 2.402 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC(=O)N2CCCCc3ccccc32)[C@H](C#N)C1 1679945016 RYRVTOQNIYDXOB-QZTJIDSGSA-N 441.532 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)NCCn2cnc(C#N)n2)CC1 1682388932 IJKZCRHWIMSRRR-MRXNPFEDSA-N 431.541 2.409 30 10 IEEE N#Cc1csc(CNC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 1687730036 ZYITXHIOFCDIDX-UHFFFAOYSA-N 434.319 2.445 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCC1 1689842298 XWAIBRXBWGWHLR-OAHLLOKOSA-N 432.546 2.388 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1689950918 GHTLCZZBUNOVED-MRXNPFEDSA-N 438.410 2.186 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1689966239 NJXKOAGXCBZPHB-SFTDATJTSA-N 441.601 2.087 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1689972553 STNLLRCHGZJZOP-QFIPXVFZSA-N 446.603 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(N(C)C)CCOCC1 1690040525 FIIASUJBBZCAKP-UHFFFAOYSA-N 435.528 2.248 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnc2n1CCC2 1690097875 QUKLWYFOTXANDL-UHFFFAOYSA-N 429.887 2.410 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1N1CCOCC1 1690100968 JPTNLWYYVIPSRE-UHFFFAOYSA-N 447.543 2.014 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1690242989 GBXGVYOAYHOLMA-FPOVZHCZSA-N 425.533 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690722965 CNNWEXBTNBWFFU-UHFFFAOYSA-N 436.607 2.156 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)N1CCCC1 1694442138 CXRRDUFEXZRAOC-IBGZPJMESA-N 442.589 2.172 30 10 IEEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(=O)NC)C1 1705521370 ZTKCMKAAJPVYIM-FQEVSTJZSA-N 425.533 2.174 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1c(F)cccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705571447 ZKOYNZJAXNGRCJ-KRWDZBQOSA-N 445.564 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COc2ccccc2O1 1705585154 MCXGCOMWCCWOQC-QGZVFWFLSA-N 447.520 2.182 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CC=CCO2)n1 1705631588 JLMXYQXYDTVTPZ-HXUWFJFHSA-N 435.532 2.111 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2CCOCC2)n1 1705632312 ZPOYDRWLJQZXDH-HXUWFJFHSA-N 442.564 2.081 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705746518 UZCOITVCTDETBL-MRXNPFEDSA-N 449.939 2.423 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1705834604 OOCIFXMNCXMKRV-AWEZNQCLSA-N 435.550 2.217 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705834737 QQRMWZNWDQOJHV-HOTGVXAUSA-N 437.541 2.461 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705871871 AUOJBYRPSZKBNX-PKOBYXMFSA-N 443.577 2.118 30 10 IEEE C=CCn1c(N2CCN(Cc3csc(CC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1705894072 XRQUXNDIBSWNIK-OAQYLSRUSA-N 432.594 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705899030 GFLKNGPQBVOQQP-MRXNPFEDSA-N 425.924 2.077 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1706057054 FUXMNMNNPRPUBW-DYVFJYSZSA-N 436.438 2.499 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1706057403 JSWGDBIIAKRQCE-LJQANCHMSA-N 434.504 2.418 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1708759340 FKQBPRJETQVIPI-NYHFZMIOSA-N 442.520 2.094 30 10 IEEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2ncnn2C(C)(C)C)CCOC1 1710440022 DJQPAJASDDWDCU-JOCHJYFZSA-N 442.568 2.455 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1722303997 SSPHELGELXHPBX-HXUWFJFHSA-N 449.603 2.460 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722311372 GIVYWCKUMQWDSG-KRWDZBQOSA-N 431.949 2.424 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1722361743 OXBLTWJIZJBIAL-VQIMIIECSA-N 439.541 2.002 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(C)C)CC1 1722439442 CBKGMFWTDDDTMW-HSZRJFAPSA-N 429.572 2.322 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOc2ccc(Cl)cn2)CC1 1722444285 IJWPLSRBDZXUJD-UHFFFAOYSA-N 430.940 2.495 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722457422 DMEZAISUZVYZAF-QGZVFWFLSA-N 443.621 2.424 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722482023 DNSFRCYUQBDRAQ-UONOGXRCSA-N 435.388 2.340 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722694144 MMOCNPJFIIHFJM-MJGOQNOKSA-N 436.560 2.260 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@@H](C)CC)C1 1722714462 NITWIUDSHNMHKV-JKSUJKDBSA-N 444.536 2.092 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC(=O)N2)C1 1722716037 RWSHMSFRXMTURW-NVXWUHKLSA-N 427.505 2.022 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCc2cccc(C(N)=O)c2)CCOC1 1722863962 NNRWGWZQHGYDTJ-HXOBKFHXSA-N 440.548 2.256 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)s1 1727487182 BMSZSQCJDKADOJ-NRFANRHFSA-N 436.545 2.241 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1N(C)CCCC1(C)C 1727606997 HLNMTSZPFBWFIP-IEBWSBKVSA-N 437.596 2.338 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1731094910 PTVQZPOZBOWIFY-RMYFCYLKSA-N 427.534 2.131 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1O 1731140240 MJBKFZOBIUOTSJ-APWZRJJASA-N 440.548 2.098 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1740548212 GPABHTJGSBBELB-MSOLQXFVSA-N 432.569 2.140 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740566632 IQNYXBDQJNRCNY-IRXDYDNUSA-N 425.599 2.476 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1740573311 AZJOTTWTQQMIEW-AZUAARDMSA-N 449.621 2.416 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)C1 1740754696 VJTQULQAASYZQI-GUYCJALGSA-N 449.353 2.295 30 10 IEEE CCN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H](C)C1CCC1 1745977132 ZTUGEIIWXPNEMN-AXHJYSETSA-N 428.537 2.323 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1748744848 ARPRRXYKJHMOLY-UHFFFAOYSA-N 435.576 2.278 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1748745228 JNXZKEAOJACTFN-NRFANRHFSA-N 446.555 2.315 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1748765832 VZPDVVRGWIZPSG-DYXWJJEUSA-N 432.565 2.437 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749204944 ZJZHUIFIWHPZTD-UHFFFAOYSA-N 444.511 2.147 30 10 IEEE COCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749284327 VDSAUQSPCHCESJ-LJQANCHMSA-N 439.564 2.438 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)C(C)C 1749558632 XBNRDGIMUIHHBW-RTBURBONSA-N 429.613 2.488 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccc(F)cc3)n2CCOCCS(C)(=O)=O)CC1 1751279341 ZIOWNJYJEGDMGO-UHFFFAOYSA-N 449.552 2.199 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H](C)N(C)C)n1 1751621508 HBGVEGTWSHEEIM-SFHVURJKSA-N 431.548 2.192 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760135686 FIKSXTAZDOSQEJ-LJQANCHMSA-N 428.562 2.148 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760184665 YJDVMRIGDUDFBA-IAGOWNOFSA-N 446.504 2.303 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186504 CWSXYBMIAGEWHP-NRFANRHFSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)C(C)C 1760201671 HRKYUOBQRXKFDE-UHFFFAOYSA-N 431.544 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1760266353 WRKAALXZDMXLIQ-UHFFFAOYSA-N 440.514 2.217 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](OC)C1 1760326524 XBVZKMXYHBTRMG-FRQCXROJSA-N 431.562 2.476 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2cc(C)no2)CC1 1760327278 FTDXJAMVJKQDGJ-GHTZIAJQSA-N 430.553 2.414 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760449746 SXTKMJGKLNWURC-OAQYLSRUSA-N 439.608 2.457 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@H]2C)cc1 1760529256 BGOIBYHBERVVLC-SJLPKXTDSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1760548016 WLUDWPYRWWRMNI-AUSIDOKSSA-N 441.532 2.125 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1761831889 BLEIHQGWHUXCOE-NRFANRHFSA-N 446.577 2.187 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1764269349 ULVFRCLSFSMZAK-IBGZPJMESA-N 434.552 2.062 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCN(C)C2)cc1OC 1765967697 CATXFLYAKKGSIG-ZHRRBRCNSA-N 428.537 2.015 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1nc(C)cc1C 1766335440 ASGFUKHNPIVDDE-UHFFFAOYSA-N 436.520 2.253 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 1767157263 UTOUDSOJXIQHEF-PMACEKPBSA-N 437.592 2.458 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C#N)o1 1767382652 DBOZKFNWHSDEBX-UHFFFAOYSA-N 437.460 2.135 30 10 IEEE COC(=O)Nc1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1767960806 AGJNOWYSLHKTMG-HNNXBMFYSA-N 447.503 2.190 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1768140370 SUDWERCKNWBYRT-MRXNPFEDSA-N 436.520 2.428 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC[C@H]1C 1770657139 DVHLFURGMCRFTK-UZLBHIALSA-N 438.532 2.116 30 10 IEEE CCn1nc2c(c1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N)CCC2 1852071058 BMNVBUNGYRKIRJ-UHFFFAOYSA-N 434.953 2.352 30 10 IEEE COc1cccc(N2C[C@@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)c1 1852746311 WNTBTWBKWZBIEG-LBPRGKRZSA-N 447.435 2.309 30 10 IEEE C#CCS(=O)(=O)CCNC(=O)C[C@H](c1cccc(F)c1)N1Cc2ccccc2C1=O 1853243661 ATHJOOAUKNOVOJ-HXUWFJFHSA-N 428.485 2.077 30 10 IEEE CC(C)COc1ccc(C(N)=NOCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1853451876 QWZSVKZIVFCTAY-UHFFFAOYSA-N 425.533 2.492 30 10 IEEE Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)[C@@H]2C)cc1 1854324103 MQQZUTLNOXJTKQ-INIZCTEOSA-N 427.482 2.449 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1854537354 QVGICQHSAKRWTO-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cccc(=O)o2)CC1 1855572531 GUKFLEOFJUOTLM-UHFFFAOYSA-N 428.466 2.100 30 10 IEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c(=O)cc1C(=O)O 1857890065 GRATVGRBWQDESA-NSHDSACASA-N 445.497 2.035 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)c(F)c2F)cc1 1859011525 ITXQFYFEBQGLQA-UHFFFAOYSA-N 440.399 2.125 30 10 IEEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862605159 NHEDDYFSDWTLLW-OAQYLSRUSA-N 436.464 2.481 30 10 IEEE CSCC[C@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1cccc(C#N)c1 1867043056 CZPUWJQRONAPEE-HNNXBMFYSA-N 443.558 2.175 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004821 MSUQSJMVQBAABO-QGZVFWFLSA-N 445.545 2.006 30 10 IEEE C#CCOc1cn(Cc2ccccc2C)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870560432 VUQIWWGVNMLLAY-UHFFFAOYSA-N 429.524 2.329 30 10 IEEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870682542 ZRUXEKMXRVTWPG-UHFFFAOYSA-N 442.535 2.401 30 10 IEEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 1872649278 RPFLATHUYUUUDT-UHFFFAOYSA-N 448.501 2.049 30 10 IEEE C#CCCC(=O)Nc1c(I)nc(C)nc1I 1984092539 DRMMJRIHHJZCTK-UHFFFAOYSA-N 441.010 2.346 30 10 IEEE C#C[C@@H](CO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 1984739817 NTSGZZHJKBXXGL-NSHDSACASA-N 430.242 2.362 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](F)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248397732 NLMDJGAFKWEEIS-ZDUSSCGKSA-N 443.350 2.311 30 10 IEEE CC(C)[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248405455 QZSJSYQXVYRMPZ-LBPRGKRZSA-N 440.375 2.137 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255653180 FSERCFIURUJKID-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE C[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255807010 NOGIZYMAMGTWNJ-WCQYABFASA-N 430.232 2.108 30 10 IEEE CC1(C)OB(c2cc(Cl)cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255828278 CTTDTUMEEGLUPG-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2259354466 CORTWSYZANMAHV-GDBMZVCRSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267001814 PWBLBBREENFLSF-IRXDYDNUSA-N 443.353 2.224 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267179801 VILXIASWPPFODF-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2267505501 JMHRIUSKQBKLTL-SMDDNHRTSA-N 444.259 2.416 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2267528138 PVGPBNZIZSJTPP-JKSUJKDBSA-N 446.357 2.036 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)nn1 2268639392 OKZSIFJDXYEHBP-GDBMZVCRSA-N 447.345 2.217 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268647076 MXMVTEFTBPAEMA-VKJFTORMSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268656264 VCHWHPQCNAVEGH-SFHVURJKSA-N 446.353 2.238 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2296228073 VQPHUCCDGCYPGZ-SQNIBIBYSA-N 439.350 2.385 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2296271049 CEZORBYPPLVXHL-RCCFBDPRSA-N 439.350 2.385 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)n1 2315390011 JPKUDRJTLZRSOZ-DLBZAZTESA-N 433.358 2.471 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315693471 LCZNDOXEACCQNL-MNOVXSKESA-N 447.288 2.114 30 10 IEEE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2315696837 JUXZFUORAJKVAV-SFHVURJKSA-N 427.354 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263280 XLPGVCIHLKEBTQ-ZQDZILKHSA-N 446.357 2.131 30 10 IEEE CS(=O)(=O)C1(C#CC(=O)[C@H](O)c2cc(Br)c(Br)s2)CC1 2367848181 IGXPJYYXHTUCKC-JTQLQIEISA-N 442.150 2.456 30 10 IEEE Cn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(C(F)(F)F)cc3)n[nH]2)cn1 59310838 RYZMILRXTAKTAB-QPJQQBGISA-N 438.439 2.412 30 10 IEEE CCOC(=O)C(=NNc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)C(=O)OCC 59449579 WNZHQMADOJTYQU-UHFFFAOYSA-N 425.507 2.001 30 10 IEEE Cc1nc2ncnn2c(C)c1CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 109940586 OWTSUFWLQQZXKV-SFHVURJKSA-N 435.513 2.086 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)cc1O 170111890 ZIACLOWNIUKIHE-LJQANCHMSA-N 441.440 2.449 30 10 IEEE CC(=O)c1cccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)c1 170178827 ZVYCAWJHNYSLHD-UHFFFAOYSA-N 430.512 2.234 30 10 IEEE CCCCCCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 248243258 FUPPILVVFYZJQK-TWSMVNEUSA-N 449.552 2.297 30 10 IEEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 254692774 XTGPBPKQVAWIGZ-NWDGAFQWSA-N 436.433 2.172 30 10 IEEE CCN[C@@](C)(C#N)CCn1cnc(I)c1I 304281862 FMQKERXCGXKLII-SNVBAGLBSA-N 444.058 2.374 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 465182184 GVCMUBARJUORGM-SFHVURJKSA-N 447.543 2.121 30 10 IEEE Cc1ccc(CC[C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 466199142 YSAFRCLHXSBXNQ-MRXNPFEDSA-N 430.530 2.497 30 10 IEEE Cc1nc2[nH]c(S(=O)(=O)CC(=O)Nc3cccc(C#N)c3)nc2cc1Br 479986231 IVJSGSBXDTUTSK-UHFFFAOYSA-N 434.275 2.313 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 497562188 WBWKOMXHOVIDLQ-UHFFFAOYSA-N 440.525 2.056 30 10 IEEE Cc1nc([C@@](C)(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C2CC2)no1 497604962 XULLECSIKBUAAY-NRFANRHFSA-N 443.529 2.092 30 10 IEEE COc1ccc(CC2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)cc1 504492158 BWKZZDBADKFTFL-UHFFFAOYSA-N 437.544 2.467 30 10 IEEE N#C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1)C1CC1 505927740 CFCDNIUJQYZLHE-VXGBXAGGSA-N 432.365 2.472 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 506789217 KEXRPRJWWKYOMY-UHFFFAOYSA-N 425.489 2.390 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508862939 GQSVNQLHVXAXRT-UHFFFAOYSA-N 438.576 2.220 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(NS(=O)(=O)CC)CC1 508936378 RCDMYYBMSDQOGU-UHFFFAOYSA-N 444.605 2.325 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H]1c1cccnc1 510382765 AHHAFIGJWGAOKE-JXFKEZNVSA-N 446.467 2.069 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(OC)CCC(c3ccccc3)CC2)CC1 512453840 LLNJOFFRPIWELO-UHFFFAOYSA-N 428.577 2.359 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)ccc1Cl 515756756 VCOFFYOESCWJGB-UHFFFAOYSA-N 433.917 2.390 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1-c1ccccc1C 520970661 YLZQRROHCDBFFO-UHFFFAOYSA-N 433.508 2.460 30 10 IEEE Cc1nnc(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2)o1 531289398 ZFJCHBQZRMIZMF-UHFFFAOYSA-N 437.481 2.063 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)ccc1F 533544870 OWRMKNNFVGAPMT-INIZCTEOSA-N 426.513 2.266 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c1 544750455 QQZKZMZWNHSIOD-UHFFFAOYSA-N 425.576 2.024 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 549700395 XDRZRHSUGZMTOA-INIZCTEOSA-N 439.520 2.219 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCCC1 552901022 QNRMFTJFWJNAEN-SFHVURJKSA-N 436.516 2.026 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Br)c1C#N 565837163 LTMVURBSMZWFMY-INIZCTEOSA-N 436.331 2.299 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 614902983 RTDDBQFGGMLOIO-INIZCTEOSA-N 437.546 2.240 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 619569757 IYJKBLMGDZYXQP-KRWDZBQOSA-N 440.301 2.170 30 10 IEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619836561 BNXYSUKOJPHVCX-AVRDEDQJSA-N 433.560 2.382 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1-c1ccc(I)cc1Br 705616354 JHYADLXOMAEFNC-UHFFFAOYSA-N 432.015 2.485 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1coc(-c2ccc(F)cc2)n1 725755773 LEDDAEKIXXLSMW-UHFFFAOYSA-N 442.472 2.268 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCc1cccnc1 727813955 HFRZIXUFAWDLCS-UHFFFAOYSA-N 437.868 2.136 30 10 IEEE Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732705563 CEOWBTDVNHMTSK-HXUWFJFHSA-N 437.544 2.004 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1 740525512 SSECWXIXRPEQPF-UHFFFAOYSA-N 435.387 2.418 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)c2)c1 748095808 OKOHFBNUCNGEEX-HXUWFJFHSA-N 437.569 2.206 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@H](CO)c2ccccc2)cc1 750590972 MMYLJNQXRAADAK-OVJLLXBISA-N 430.530 2.397 30 10 IEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)O 757293272 FFFOFGUWTIGVSF-LEWJYISDSA-N 438.480 2.422 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CCCCC1 760405025 WCVGZHXKONHHDL-UHFFFAOYSA-N 430.530 2.323 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)[C@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 762635613 JWGORJLBAGUSKU-SFHVURJKSA-N 444.509 2.179 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2ccc(Br)cc2)CC1 765574284 JRJGVTDRZSNGNT-UHFFFAOYSA-N 435.347 2.290 30 10 IEEE C=C[C@](C)(CCOC)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 784615079 UJYNRVICVQZSLC-HXUWFJFHSA-N 427.519 2.102 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)Cc2scnc2C)ccc1F 785839693 LILACWAOCHCZBU-UHFFFAOYSA-N 427.523 2.344 30 10 IEEE C#CCn1ccc(CN(CCOC)Cn2c(=O)n(Cc3ccccc3)c3ccncc32)n1 788369766 LXRFXODPCYOZMQ-UHFFFAOYSA-N 430.512 2.182 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc(NC(=O)c3ccco3)n2)n1 790104587 RTRJCICQCCPRMS-UHFFFAOYSA-N 427.486 2.036 30 10 IEEE C=CC[C@@]1(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 790760560 NRTFZOGZDVUHQF-NRFANRHFSA-N 441.594 2.405 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(Br)n[nH]2)c1 791331251 RUEUWROPGFYVON-ZHZULCJRSA-N 426.296 2.237 30 10 IEEE CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 803921436 BKTQYOUPTLGMTC-UHFFFAOYSA-N 429.492 2.378 30 10 IEEE C=C(Br)CNC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 804668324 OZEBEIIEGAITGC-CQSZACIVSA-N 426.311 2.393 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 812174909 DVZXCHXEUYGBHY-SFHVURJKSA-N 447.561 2.294 30 10 IEEE COc1ccc(-c2cnc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)o2)cc1 920889511 UXVUBXVARDVQTP-UHFFFAOYSA-N 427.438 2.132 30 10 IEEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 1083984707 HHQRYJZZZVXXTD-UHFFFAOYSA-N 435.469 2.174 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(OC)c3)n2N)cc1 1084030912 FLJYKCPTBNZHKS-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1 1141536525 LIZQTXOOSLOMGN-UHFFFAOYSA-N 439.537 2.047 30 10 IEEE N#C[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1144003285 IHWMKDKMJYHATH-CVEARBPZSA-N 428.297 2.014 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1157495380 AKTWPONZFWGRHC-DLBZAZTESA-N 431.599 2.366 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12)c1cc[nH]n1 1161705812 RFSXVXQAHKREEP-ZDUSSCGKSA-N 429.452 2.072 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@](CO)(OC)C1 1165771245 WFUGCFYAUXACKG-SFHVURJKSA-N 427.295 2.098 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1234024573 URNLJYLMOBWWAP-QGZVFWFLSA-N 431.493 2.199 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1)C1CCOCC1 1253348737 TUVRCYLGJPLQFQ-XMSQKQJNSA-N 427.545 2.299 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286357097 QLSOVQBHIUODOA-JOCHJYFZSA-N 447.587 2.358 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccccc2)CC1 1286481641 IHWQXWCJAKSLLR-UHFFFAOYSA-N 429.572 2.151 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286547403 OOIUYMOJMVISJS-FWXJUILDSA-N 447.580 2.170 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286594497 UROXOFFVSWQROY-DENIHFKCSA-N 437.592 2.219 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635663 YJWAYZMZMHEKRY-HXUWFJFHSA-N 425.961 2.376 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1286676418 KPBIVEDJGNJJHG-QFIPXVFZSA-N 434.585 2.384 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286830737 PSZKQZGHCUGYEO-HNNXBMFYSA-N 431.566 2.398 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1295144060 GUKWDGPENZHPJV-MBSDFSHPSA-N 436.516 2.303 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300421527 JQBFWVKIRAOYOH-IBGZPJMESA-N 426.542 2.206 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(C(N)=O)nc1 1300431191 UOHWMBYUGHPBOL-INIZCTEOSA-N 434.500 2.428 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300497674 CDTMQFGFBWZNQW-CTNGQTDRSA-N 442.585 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1CCOCC1 1300527146 CDVJLOQTJZBTTK-UHFFFAOYSA-N 440.573 2.128 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300591635 UDDWFTOGVOQPEZ-SFHVURJKSA-N 442.564 2.119 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1300789782 YMCXNJNIJGIHPX-ACSYHNTCSA-N 446.598 2.252 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1301257754 DUCLRMZXGBTRBG-OAHLLOKOSA-N 439.969 2.458 30 10 IEEE C=CCSCCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301608854 ARLHHHBPXJNZHW-XLIONFOSSA-N 432.638 2.454 30 10 IEEE COc1cccc(O[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1315585079 GMSCOYOSQMWLDT-UTKZUKDTSA-N 434.500 2.469 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@@H]2CCCO2)C1 1344045908 XTLDEMGKDLWXBV-ZWKOTPCHSA-N 432.546 2.309 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCCc2cnn(C)n2)c1 1358903248 PPNMDCUUGUGYCY-UHFFFAOYSA-N 434.548 2.294 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1358924992 PMSAWDLYVTVBOW-LJQANCHMSA-N 440.573 2.338 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1358963966 QPUGUQUBNPSLCO-KRWDZBQOSA-N 444.557 2.174 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2C[C@H](F)C2)CC1 1359047178 VDJCFXSHUFWHGP-KESTWPANSA-N 441.555 2.244 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359086299 RLQWGRKSKSXDLX-OKILXGFUSA-N 428.356 2.392 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1359277507 NUNLSVAKGIDIES-OAQYLSRUSA-N 436.578 2.244 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(F)cc2F)nnc1[C@@]1(OCC)CCOC1 1359306155 XWAUJYWKZSXHDN-OAQYLSRUSA-N 435.475 2.147 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccccc2)C1 1359313738 QQWKFSBEWQATCX-JENIJYKNSA-N 433.578 2.473 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 1359320203 NKWFYCUCUVWFKK-UXHICEINSA-N 432.613 2.327 30 10 IEEE C=CCn1cc(C(=O)N[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)nn1 1360981113 ICFLAXOCSPLJFK-FQEVSTJZSA-N 426.498 2.396 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2cn(C)nc2I)c1OC 1435824413 GQSJTLXRTRYMHB-LLVKDONJSA-N 426.214 2.037 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H]3CN3CCOCC3)C2)C1 1444985766 FVPVJAVGKJGVLL-SGIJDJSVSA-N 432.565 2.096 30 10 IEEE C#CC[C@H](NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)C(=O)OC 1451177810 GOMKYPYDOAJPEX-INIZCTEOSA-N 426.922 2.002 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2sc(S(N)(=O)=O)cc2C1 1460474436 VLPBCXUFXKDWSJ-CYBMUJFWSA-N 436.534 2.228 30 10 IEEE N#Cc1ccc(N(Cc2ccccc2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1 1460993261 BBUCELBXXYMJIJ-UHFFFAOYSA-N 431.477 2.225 30 10 IEEE CN1C[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)CC1=O 1463899089 UORBOFPYWHWKBC-INIZCTEOSA-N 439.434 2.251 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1469871608 FIKZRRMHTDFPTN-QGZVFWFLSA-N 442.324 2.335 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3cc4cc(Br)ccc4o3)C[C@H]1CS(=O)(=O)C2 1471219743 QWWHRDMKOUXFRI-SJCJKPOMSA-N 438.303 2.275 30 10 IEEE N#CCC(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 1473482729 CEXNAYJOIRKXCZ-OAQYLSRUSA-N 429.524 2.474 30 10 IEEE CCCCN(C(=O)CN1Cc2cccc(C#N)c2C1)c1c(O)nc(=O)n(CC(C)C)c1N 1473601889 SZZDJVHWJFPHDV-UHFFFAOYSA-N 438.532 2.208 30 10 IEEE Cn1ccnc1[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)(C)CO 1475320482 FNLWTNPVWUQPRD-CQSZACIVSA-N 445.314 2.231 30 10 IEEE C#CCSCCNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1477965581 HYXQEKZMHCBJJR-UHFFFAOYSA-N 440.610 2.290 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1503228971 SBBZTOMQPOJZOD-NRFANRHFSA-N 435.532 2.425 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504520901 FSDVFOVWGSLBDE-MOPGFXCFSA-N 425.537 2.046 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCSCCCO)CCN1C1CC1 1505322529 PRDCNIRPPBAXDA-KRWDZBQOSA-N 430.553 2.376 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1507626918 HMBQWRIIZXGGSM-HNNXBMFYSA-N 440.928 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CCc2ccccc2)C1 1507636597 BCDJZXZAOHJAFZ-QFIPXVFZSA-N 432.572 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1507646517 VTQNNMVUBMJQGE-UHFFFAOYSA-N 449.555 2.290 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)COCCO2)CC1 1507718004 KMWIBIIBMZIEGW-JOCHJYFZSA-N 447.486 2.107 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CCOC)CCCCC2)CC1 1507724478 FRULXDOWPFSDJA-UHFFFAOYSA-N 425.581 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1507736848 TZSGNGUORGBZMQ-CTNGQTDRSA-N 436.560 2.231 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507748551 OVVYNHDARXRSEE-NRFANRHFSA-N 441.582 2.198 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507751131 KCEDIBIHQFZBQQ-PGRDOPGGSA-N 441.557 2.119 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507755272 LKEHIUUUQMLSIC-GOSISDBHSA-N 439.651 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1507773059 OVGYMOOSQDJNDL-SIKLNZKXSA-N 428.558 2.367 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507912114 DNLUUIGOVJQYSI-QGZVFWFLSA-N 449.625 2.389 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1507915665 ZOOBQOKWBQICIQ-UHFFFAOYSA-N 449.559 2.496 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507953471 GTSSTBWYKOTTHR-QGZVFWFLSA-N 430.578 2.170 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507981168 XAEBDULRLKZAOQ-MOPGFXCFSA-N 430.578 2.090 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](OCC(C)C)C1 1508078499 CHNCENFJTWMBOS-QGZVFWFLSA-N 427.505 2.227 30 10 IEEE CC(C)(C)NC(=O)CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1508622033 AWUDFGJSCFMBCR-UHFFFAOYSA-N 438.580 2.474 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)C1 1510292832 ZPTLVUSHQCSBPC-ACJLOTCBSA-N 432.326 2.444 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)c3cc(=O)n(C)cc3Br)c2C#N)C1 1529938242 HWCRFRQKKQADQZ-UHFFFAOYSA-N 435.303 2.238 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1539204166 ZLZLBFZMKAYNEN-NSHDSACASA-N 439.326 2.190 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C(C)C 1539350178 DAEMXOVIGBBOGJ-IBGZPJMESA-N 433.578 2.326 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1539369513 MADLQNWOOKTQQT-AWEZNQCLSA-N 426.464 2.300 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1-c1ccccc1 1539378066 RQWZZJWSWNJGCY-UHFFFAOYSA-N 446.540 2.358 30 10 IEEE C=CCCO[C@H](C)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1539544585 RRTVLHFTNFLNRD-NXHRZFHOSA-N 437.537 2.399 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCCO)CC1 1539843063 XYVGDJBOQQAPNN-UHFFFAOYSA-N 438.532 2.230 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCc1n[nH]c(C)n1 1540139221 AIAZVYUVQZRWAX-UHFFFAOYSA-N 426.550 2.437 30 10 IEEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1540173644 AASBIICTADVUDG-UHFFFAOYSA-N 440.573 2.495 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540867747 GGDVVSLUWFFUAB-MRXNPFEDSA-N 442.951 2.492 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCN(C)C2)C1 1540895057 KQSRSEBCTIACJH-YKSBVNFPSA-N 441.576 2.322 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1541103779 GLRGXLUQBOFLMP-HNNXBMFYSA-N 441.927 2.139 30 10 IEEE CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1541250717 CNPSUWLZOJWPIA-UHFFFAOYSA-N 434.548 2.464 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)C[C@@H](C)S1 1545061431 SYHZHFAAAOHJDW-CALCHBBNSA-N 431.562 2.458 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1554686467 UZZJYRGOTADUIJ-NRFANRHFSA-N 446.577 2.151 30 10 IEEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1556441906 LUWPRUCFIZHAJI-OTLZBWLZSA-N 437.566 2.122 30 10 IEEE C=CCC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 1560155843 WGNDTIPRMPYNSC-JXAWBTAJSA-N 447.532 2.381 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1564957869 GFMRFRREMVIUIE-JQHSSLGASA-N 434.541 2.240 30 10 IEEE C=CCn1cc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)nn1 1564958430 SPOAYEGHQGSKNM-MRXNPFEDSA-N 434.541 2.070 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H]3CSC[C@@H]3O)C[C@@H]1C)C2=O 1565538620 FPYUQGZUQAFNTJ-KVIFIABASA-N 439.917 2.230 30 10 IEEE C#CCN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@@H]1CCOc2ccc(Br)cc21 1565764516 PMABJQCQUQBZBP-CZUORRHYSA-N 430.306 2.374 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)ccc1OC 1585957669 GXPRZOYVBIXZEB-AWEZNQCLSA-N 435.477 2.401 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 1586493642 ABYLMFHJDHIYMQ-UHFFFAOYSA-N 431.583 2.050 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1587567473 GJQMWFLBPYPYIO-HJPURHCSSA-N 444.532 2.462 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1587620393 CUDNKCAIMORGOB-ZWKOTPCHSA-N 433.560 2.382 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCCC1 1587766451 VAAKONTUJMSZJH-IBGZPJMESA-N 437.610 2.431 30 10 IEEE C#CCCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1587793525 PHXGJHOZPLGSRW-GOTSBHOMSA-N 431.581 2.035 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCCn1ccnn1 1588612965 OHJZTBAZWYUSLR-UHFFFAOYSA-N 444.337 2.475 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1589652009 LYCCUBWUNLRRRS-UHFFFAOYSA-N 435.550 2.233 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2COCCO2)CC1 1594036247 QNFXRIQHHQPBRM-GOSISDBHSA-N 432.546 2.311 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1594491801 LBNZQZKYUVDGJG-SFHVURJKSA-N 427.553 2.450 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1594813052 NIZJHKNVMDMSIP-UTKZUKDTSA-N 440.610 2.414 30 10 IEEE O=C(N[C@@H](CO)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)n1 1595486419 BWRNLDMHVARBRX-LNLATYFQSA-N 445.335 2.337 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1595501042 KFCWOVDAAGKGLG-UHFFFAOYSA-N 449.490 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(Cn2cccn2)CC1 1595784482 GSYQFQBFMRUBGY-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1611757003 CIWHTGVZEROWAX-KUHUBIRLSA-N 429.435 2.076 30 10 IEEE CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1617939662 FQVGJOCPKULTAO-LSDHQDQOSA-N 445.483 2.209 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1619622632 QPLKFZZYGBMNJH-OALUTQOASA-N 428.512 2.355 30 10 IEEE C#CC1(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)CCCC1 1625026696 HDUOCHYGXVMEJX-UHFFFAOYSA-N 446.310 2.217 30 10 IEEE C#CC[C@H](NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1)C(=O)OC 1626187796 IZHLIWBAIOEWKA-DAYGRLMNSA-N 442.541 2.017 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)s1 1626942401 GBOUSDHCSQWUQJ-SFHVURJKSA-N 447.582 2.014 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1634215564 CHQZEAURIHTOEU-JZXOWHBKSA-N 442.603 2.385 30 10 IEEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC[C@H]21 1638321052 QBLPTIMZLZGVLX-SOLBZPMBSA-N 432.318 2.415 30 10 IEEE C#CC1(O)CCN(C(=O)[C@H](CCC)NC(=O)NCc2ccc(Br)cc2)CC1 1641976415 IFBLGDWOFGGACV-KRWDZBQOSA-N 436.350 2.404 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1644344053 PKJBCQIITYMBBU-SFHVURJKSA-N 437.562 2.001 30 10 IEEE C#Cc1cccc(N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)Cc2ccccc2)c1 1644927397 HNERANHMMWNFFJ-UHFFFAOYSA-N 425.554 2.215 30 10 IEEE CSCC[C@@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1646250577 HGVWUSCJCLNXME-LZWOXQAQSA-N 446.598 2.384 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1 1648260761 GOXKUGDEMMQJGT-DENIHFKCSA-N 426.494 2.272 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)c1C#N 1648430347 OUOJNAKWXSDECQ-UHFFFAOYSA-N 430.317 2.396 30 10 IEEE N#Cc1cc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)ncc1Br 1650885583 PEXHBWQMOOFNBK-CYBMUJFWSA-N 427.258 2.217 30 10 IEEE O=c1oc2cc(S(=O)(=O)CCO)ccc2n1CC#Cc1ccc(OC(F)(F)F)cc1 1651944343 UQSYKEDGNFXIOQ-UHFFFAOYSA-N 441.383 2.311 30 10 IEEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)Cc2cccc(Br)c2)c1=O 1652848556 CRHASJPXOIJYQM-UHFFFAOYSA-N 430.302 2.126 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@@H](NC(=O)OC(C)(C)C)C3)CC1 1655415722 MNKQHYPZIIFGNY-LWYYNNOASA-N 433.597 2.056 30 10 IEEE C#CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1655587369 YWZOLSGBKOPZNN-OAQYLSRUSA-N 445.608 2.013 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 1656638532 YEDGXPDFRMKNCN-ROUUACIJSA-N 442.459 2.415 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2c2ncc(Br)cn2)CC1 1660237392 DXUOQXKBZFDLMO-QZTJIDSGSA-N 449.397 2.458 30 10 IEEE CNC(=O)[C@@H](CNC(=O)NCc1ccc(OC)c(C#N)c1)Cc1ccc(OC)c(F)c1 1683580379 XCHPVPQIAXQVEC-QGZVFWFLSA-N 428.464 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1690046778 GYDHCCOOWOQQKV-VQTJNVASSA-N 439.585 2.168 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(=O)NCC)CCC1 1690051314 VUAAJVYEDXPRAZ-UHFFFAOYSA-N 443.555 2.286 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1=CCCOC1 1690060887 LPZJYSNKYWIOKB-UHFFFAOYSA-N 428.562 2.353 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2OC)CC1 1690113423 JFDRDNVVLPMSMO-DEOSSOPVSA-N 439.560 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](CC(C)C)N(C)C)CC1 1690142257 KPHSPCVUFSMOKY-FQEVSTJZSA-N 437.592 2.282 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@H]2C)CC1 1690364110 JUJCJKVLRBKVOR-MSOLQXFVSA-N 444.605 2.496 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCOCC2)CC1 1690369569 PHJISGQEDPDJRT-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1690672635 YLNHTGPRHCNFDL-SFHVURJKSA-N 439.564 2.489 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)N2CCOCC2)C1 1690689851 MPPWEKXOIYVEQO-HXUWFJFHSA-N 425.533 2.148 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)CCCS1 1692523847 RTBKJQTXZLTDMA-NRFANRHFSA-N 441.561 2.237 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1693783332 HEEZUEVFOHOMMB-QIMMGWNBSA-N 431.500 2.435 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1conc1COC 1696347071 IPVNYMILVQDBSO-HXUWFJFHSA-N 438.488 2.447 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)CC1 1698165888 DWZIJBADKJKJRZ-KRWDZBQOSA-N 425.537 2.395 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705514014 HEBXMHGRENDLRT-KNQAVFIVSA-N 435.576 2.132 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CC 1705591679 VAVHEIIXZDIQNG-FQEVSTJZSA-N 439.585 2.296 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1705617375 RXPMTJZZQHZDAD-UHFFFAOYSA-N 437.548 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](OC)C2CC2)CC1 1705649785 FCYCYSWZJKMCFX-LJQANCHMSA-N 427.574 2.321 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705684946 IAWKJIRGJFZPJB-CXAGYDPISA-N 437.386 2.053 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1705740729 VOMIKXWCVWYNIL-QGZVFWFLSA-N 429.521 2.125 30 10 IEEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705755709 GWTSQFJIZKIRKN-UHFFFAOYSA-N 432.887 2.281 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1705928175 MZTWGXZDWAPBLK-PWRODBHTSA-N 432.613 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705936210 LUNQOUQETBMDPG-RBUKOAKNSA-N 448.593 2.119 30 10 IEEE Cc1coc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1707715760 PFWPTKJLEFACPW-UHFFFAOYSA-N 447.543 2.285 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1710361362 CTQQHCUMIYOFDK-UHFFFAOYSA-N 434.504 2.300 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1710870988 BOXBTVJABHFVTG-UHFFFAOYSA-N 431.440 2.162 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722360216 FIOYIQFGGGWPAS-RBUKOAKNSA-N 444.605 2.164 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1722366564 SAIZNVZZFQYGNE-GOSISDBHSA-N 448.976 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1cccc(C)n1 1722392903 OFLDPLTVVWZTPM-UHFFFAOYSA-N 437.511 2.330 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)c2ccco2)CC1 1722440893 LRSKRRBGJLROFG-DEOSSOPVSA-N 435.528 2.156 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1722501536 ZDZJBKQQESHUDE-UHFFFAOYSA-N 440.596 2.354 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCNC(=O)C(C)C 1722507480 FTLLYVWZIZOFOQ-TZIWHRDSSA-N 426.565 2.454 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722627680 QDGJMZCNAQAUJM-SFHVURJKSA-N 444.511 2.145 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CC2)C1 1722717967 OWNFXQZLQGKRBD-OAHLLOKOSA-N 437.953 2.352 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722997196 XARRRBFGKOUPGJ-KRWDZBQOSA-N 440.552 2.365 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1729226864 BVKMKERAVWJIDI-SJORKVTESA-N 446.577 2.150 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729915069 KUCRUVBBCQQMRW-AQMPTVPWSA-N 440.504 2.378 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCn1cccn1 1740566497 VBHJHOJVRBIIHN-UHFFFAOYSA-N 426.546 2.485 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnn(-c2ccccc2)c1 1740599143 QWQNFWYHVAPGHC-UHFFFAOYSA-N 426.484 2.423 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740702195 JMAKRXPGKUUNKC-FPOVZHCZSA-N 444.624 2.114 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(CC)o1 1740963377 JAQQEFJBYQMNDE-KRWDZBQOSA-N 426.521 2.200 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCC(N)=O)CC1 1740998268 KQZPMSUUZRNKTI-UHFFFAOYSA-N 445.545 2.064 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 1745681282 FYGFOWAQJIYKDX-LPHOPBHVSA-N 425.493 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1748669308 WOTZJQNNBRBSSY-IRXDYDNUSA-N 432.569 2.329 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1748801668 DIWZIARJELPNNY-ZWKOTPCHSA-N 430.578 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1nccc(C(F)(F)F)n1 1748883144 UGZCKGILVSTRLB-UHFFFAOYSA-N 428.422 2.193 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1748902400 FFZDFSICAVJICS-HKBQPEDESA-N 435.553 2.493 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1749033932 RSJFMGCOLHIOJK-KSZLIROESA-N 446.621 2.117 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC 1749073674 VEUGAUSOTSZHEH-OAQYLSRUSA-N 431.562 2.015 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1749465117 NDHQIHXCMJCNBV-SJORKVTESA-N 436.582 2.331 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1749683929 KWDFGHPICNIFJY-UHFFFAOYSA-N 448.527 2.424 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749754276 JCXLCGGHUJTCIZ-INIZCTEOSA-N 446.602 2.172 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCSC2)CCOC1 1751017862 PUZZKFZOUPHWBC-LEWJYISDSA-N 435.594 2.317 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1751272226 IBIPBNSNUWHQBD-CKJXQJPGSA-N 431.468 2.091 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)C(C)C 1760214968 KBJFDBWUJJLING-UHFFFAOYSA-N 431.548 2.114 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)CCCN2C 1760243679 PILAEBRILKZLCW-UHFFFAOYSA-N 436.560 2.031 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1760293581 ZRFFPWMXAQREEN-JOCHJYFZSA-N 438.557 2.232 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760442341 NJQWFFPQDUZJKC-HOTGVXAUSA-N 428.562 2.483 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCO1 1760745184 OXMJEOLWEKELHZ-HXUWFJFHSA-N 443.548 2.379 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(CS(C)(=O)=O)CC1 1763654434 HNGYSHNKZGKSJY-CQSZACIVSA-N 444.561 2.151 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1764682169 UNFIXVJPWVYXHT-OPAMFIHVSA-N 445.568 2.267 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1765652929 AKHPKOWFGMTFGC-UHFFFAOYSA-N 435.488 2.318 30 10 IEEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1766141693 QCUQTHDFTRUQNK-IBGZPJMESA-N 449.559 2.180 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1767540531 GQPWYBPIKDRELP-LJQANCHMSA-N 449.559 2.180 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)C[C@H]1O 1769457886 SFQMZIZEMPSSFZ-NVXWUHKLSA-N 449.458 2.134 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1771297331 BGXNAZFXLYKXOD-IHFIDZABSA-N 446.596 2.100 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)CC1 1849016976 VTPWZIVKHGUGHV-OAQYLSRUSA-N 448.564 2.205 30 10 IEEE C=CCN(C(=O)c1cn(-c2cc(-c3nc(CCC)no3)ccn2)cn1)[C@@H]1CCN(C)C1=O 1850409507 BMZXTCNFDZVEKS-QGZVFWFLSA-N 435.488 2.129 30 10 IEEE N#Cc1ccc(CN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c2cnccn2)cc1 1851774521 OLWRRJQPRZWELT-SFHVURJKSA-N 425.514 2.086 30 10 IEEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)Cn3nc(-c4cccs4)ccc3=O)C2)CC1 1855127153 PLVHRTWLIMNALE-KRWDZBQOSA-N 426.542 2.245 30 10 IEEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1855854016 PXEQFFCNLQLZRY-QUCCMNQESA-N 433.574 2.499 30 10 IEEE COC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1C 1872797281 GFOZXWOYDCQCIZ-INIZCTEOSA-N 443.485 2.145 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(O)cc2)o1 1874433358 QJTUXVXJTWFIKX-ZVBGSRNCSA-N 429.458 2.174 30 10 IEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3ccccc3Cl)ncnc21 1875228456 PKRCCDFPTQVJAI-UHFFFAOYSA-N 429.908 2.310 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3csc(-n4cccc4)n3)CC2)CC1 1890131018 QQCNMQNJWIPLPJ-UHFFFAOYSA-N 441.601 2.196 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2049162537 MOAOZKDKHPSHLS-OALUTQOASA-N 432.370 2.446 30 10 IEEE COCC1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 2060638430 WURQHDZYNRVRJX-ZSHCYNCHSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068908765 UZRJDQKRIVZGNW-QFIPXVFZSA-N 436.358 2.396 30 10 IEEE C[C@H]1CN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2124537752 BHJODDPTVBCFPZ-AWEZNQCLSA-N 447.345 2.249 30 10 IEEE CC(C)(C)OC(=O)NCc1nocc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542928 LFSQGVRLDUMPBW-UHFFFAOYSA-N 445.285 2.041 30 10 IEEE C#C[C@@]1(C)COCCN1C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2215659280 XTEGEIBNZUGHHY-ZEQRLZLVSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2224138647 CTRKDCCZLJHQRT-RDJZCZTQSA-N 433.358 2.093 30 10 IEEE C=CCCC1(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2243167930 MNEFWAZMZWNNKV-OAHLLOKOSA-N 427.542 2.192 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243389571 KERQVQITOVXNRG-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247905394 HMVOUFQXDZAZNU-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE C[C@@H](CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)CNC(=O)OC(C)(C)C 2248403526 DTEXJYHMTCWINA-LBPRGKRZSA-N 440.375 2.139 30 10 IEEE C[C@@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2248416218 OUPFXGVJJDZSTR-CHWSQXEVSA-N 437.371 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2255873087 BFQAAMZVWPEGDZ-OAHLLOKOSA-N 433.314 2.052 30 10 IEEE Cn1cc(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267126817 DPYWUAASMIDNPM-CABCVRRESA-N 448.373 2.143 30 10 IEEE CCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267496190 WBCKZJSFUMAROO-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267579232 PHXNNVDGJVJLKD-UHFFFAOYSA-N 449.361 2.115 30 10 IEEE CCON(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2267596876 RJRREPANHJJORH-UHFFFAOYSA-N 447.341 2.394 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881049 XBNVETFMXDNNQT-GJZGRUSLSA-N 446.357 2.009 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(=O)O)cc1 2331571058 GECHIXRQPZJRDH-UHFFFAOYSA-N 432.487 2.192 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337191626 BLXBZEGWQILNSF-SFHVURJKSA-N 438.381 2.456 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)cc2C1=O 12159666 JXBAMBGLJWOWJM-UHFFFAOYSA-N 425.466 2.162 30 10 IEEE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\NC2=NC(=O)[C@H](CC(=O)O)S2)cc1 13153959 NGAGBHFZPWTACI-VBNMEBLOSA-N 447.494 2.159 30 10 IEEE C=CCN1C(=O)CSc2cnn(CC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)c21 65132999 UFQGUVFDFLUYND-UHFFFAOYSA-N 438.431 2.203 30 10 IEEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 102749626 FIRKZUAQQCXIJW-HQMFNGAOSA-N 430.432 2.181 30 10 IEEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)c1 106451361 XQYXANHVZBFSPN-AGGMBTAESA-N 437.496 2.234 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccccc2F)C1 256033609 RIIZKBHUXGSCKQ-XNRPHZJLSA-N 439.447 2.325 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 427979286 HGZKIWWFYGIHSP-MBSDFSHPSA-N 440.569 2.396 30 10 IEEE CC[C@H](C)c1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 434510865 BFFIAQVYHKFRRF-HNNXBMFYSA-N 428.518 2.400 30 10 IEEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)c2cnn(C3CCOCC3)c2)CC1 445706542 FPKJMUIPWWKUJS-UHFFFAOYSA-N 431.518 2.170 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1 460159426 BDXONBWVMCGFKX-ICSRJNTNSA-N 449.536 2.346 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@@H]2CCCO2)cc1 462425237 CXEHSVSOPRRARF-IBGZPJMESA-N 431.517 2.178 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 471582909 RGRLZKWSRLIIMQ-UHFFFAOYSA-N 431.290 2.023 30 10 IEEE CN(C)C[C@H](Cc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505380496 SMVICKUMLODDRS-PZJWPPBQSA-N 433.512 2.052 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 507855846 JHFBFRZVLUMQLL-UHFFFAOYSA-N 436.541 2.097 30 10 IEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN2CCOC[C@@H]2C1 508730298 OHMHBPJAEAYMEX-INIZCTEOSA-N 434.338 2.326 30 10 IEEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 515662026 BIADCGFZFLGZPS-UHFFFAOYSA-N 444.900 2.430 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)ccc1Cl 525312684 CBKAWXRHMZBDTJ-UHFFFAOYSA-N 434.905 2.283 30 10 IEEE C[C@H]1CN(Cc2csc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)C[C@H](C)O1 546916605 GZKJWSZTYGGNBG-HOTGVXAUSA-N 441.561 2.373 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 549273251 APLKJIZCAWFTFP-SFHVURJKSA-N 435.536 2.238 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@H]2C1 549603742 KEQHPOCNHXAVGI-IBGZPJMESA-N 444.605 2.446 30 10 IEEE C=CCc1cc(CNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc(OC)c1OC 582983214 YLNNJYVOKQYCCS-QGZVFWFLSA-N 425.551 2.046 30 10 IEEE Cc1csc([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 727949164 IUXXTVGFSGFGRN-SXNXEAAASA-N 449.558 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 732250353 FQCDVVCRNHBIRP-HNNXBMFYSA-N 430.509 2.265 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)CCN1C1CC1 732648299 RGRWKVNJKQDRHM-LLVKDONJSA-N 425.802 2.147 30 10 IEEE COc1cc2cc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)[nH]c2c(OC)c1OC 734292940 KYEYQAFOQWHACB-UHFFFAOYSA-N 429.454 2.493 30 10 IEEE COc1ccc(COC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1C#N 747082573 PUJBGDRNFYWQKE-HXUWFJFHSA-N 434.452 2.160 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCOC(C)C)c1 758054649 MLHKLQONSILYLO-LJQANCHMSA-N 430.574 2.092 30 10 IEEE Cc1cc(N2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)ccc1Br 765915942 PFBVIQHIPDUORD-SJLPKXTDSA-N 446.349 2.245 30 10 IEEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766420208 OZLIKBNVDMAKHH-LJQANCHMSA-N 440.573 2.293 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 767829947 MAAOLCDXJYDGFA-NSHDSACASA-N 445.335 2.326 30 10 IEEE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 778447545 WSFTXIHNHVUFBQ-UHFFFAOYSA-N 428.514 2.052 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 779612275 BFXRAPIBSHLODR-ZRFOIIEFSA-N 425.510 2.444 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC2CC(C)(C)C2)C1=O 780322884 OGMZIPVJULYBBI-HMWBEYIWSA-N 445.633 2.428 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781661466 PXHGIZNKIIWNGG-UHFFFAOYSA-N 447.491 2.089 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@H]1CCCO1 782587924 DWTOHUSJSBCWCO-CQSZACIVSA-N 429.567 2.151 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790297199 YZPFBFYCWCSLQM-OXJNMPFZSA-N 429.583 2.120 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1CC(F)F 804724880 SBAYLRFWEVMXPC-CQSZACIVSA-N 429.489 2.168 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 809894151 XREORACVAXSZRC-SFHVURJKSA-N 432.569 2.305 30 10 IEEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 811143304 LWAIDDWSNQWQKF-UHFFFAOYSA-N 430.482 2.396 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2C1=O 917832335 TUSCPNSBGWAHPK-SFHVURJKSA-N 446.507 2.100 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2C#N)C1 1131405347 DKFXFSMQIFFLHJ-UHFFFAOYSA-N 428.426 2.456 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCN3C(=O)COc4cc(Br)ccc43)CC2)C1 1134301213 KUILULDIISNAGB-UHFFFAOYSA-N 449.301 2.429 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)C[C@H](C)C1 1141550625 GEKCOWUAVNJDSF-LPHOPBHVSA-N 432.590 2.227 30 10 IEEE COc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1C#N 1152347704 FWWGKHITVKJFAU-KRWDZBQOSA-N 449.916 2.392 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cc1C 1156591241 CCKGTYWOBHWPCV-IRLDBZIGSA-N 430.508 2.445 30 10 IEEE CC(=O)[C@H]1CC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)=NN1c1ccccc1 1184273699 VATKLHGUNRWETO-HXUWFJFHSA-N 434.452 2.114 30 10 IEEE COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1213441991 BTGPFFFWVMHRKE-UHFFFAOYSA-N 447.488 2.141 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc2)CC1 1256517582 XAPAGRSVQLCQEB-VWLOTQADSA-N 446.599 2.400 30 10 IEEE CCOC(=O)C1(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCOCC1 1264896345 GGBGMYWESMCGIU-UHFFFAOYSA-N 427.501 2.485 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286388717 BACLJYGRWHWZGA-INIZCTEOSA-N 435.500 2.321 30 10 IEEE C=C(Cl)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635676 YTQGWTBDCYUHTI-FQEVSTJZSA-N 425.961 2.424 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](COC)OC)CC1 1286660460 MCSPIPDTXOFKPS-KRWDZBQOSA-N 438.532 2.256 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286699857 HZWPZPVFJKSAOK-INIZCTEOSA-N 447.536 2.139 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1287517402 QBBXLCYRGSJKES-YGCDDZCOSA-N 438.536 2.077 30 10 IEEE CSc1nc(O)c(C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1C#N 1288269594 YEZPQUNQRZBMNP-JOCHJYFZSA-N 438.509 2.024 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCN1CCC[C@H](C)C1 1290865194 MTIHFHCTUBESDU-RBUKOAKNSA-N 437.596 2.475 30 10 IEEE CCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1297551944 KZSJYZGAMRVHQO-LJQANCHMSA-N 435.529 2.025 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1300308544 PSTBDMKLBDNPDX-NVXWUHKLSA-N 430.553 2.129 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cs2)CC1 1300371956 LDUAZTRSMILYQN-UHFFFAOYSA-N 427.578 2.296 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300489701 QWLRBSOIILAWFQ-OAHLLOKOSA-N 440.928 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)NC(C)(C)C 1300656851 OXLVNSFTNWCSNS-UHFFFAOYSA-N 428.493 2.244 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1300683146 WZEVLIUOBKHZSC-UXHICEINSA-N 443.640 2.072 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 1300701482 VLIFAZLAJUVBCJ-PMERELPUSA-N 429.565 2.064 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1300913676 ZAHDBXCDUVDQBE-SFHVURJKSA-N 431.562 2.225 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1301050813 DUYCUJDFFMYGEY-HNNXBMFYSA-N 447.923 2.224 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1301257752 DUCLRMZXGBTRBG-HNNXBMFYSA-N 439.969 2.458 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301436144 QGGCLXKEOGSAHA-IPMKNSEASA-N 431.562 2.100 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC1CCOCC1 1301499968 HUXHJHDITJXCDH-HXUWFJFHSA-N 441.532 2.346 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301576508 WETNINIGQALSMH-WOJBJXKFSA-N 441.557 2.423 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 1302882434 GUKUFDJBDUCYGA-SOLBZPMBSA-N 429.546 2.255 30 10 IEEE COc1ccc(-c2nnc(S)n2CCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1304200816 PXGOBAORBMLVQS-UHFFFAOYSA-N 428.514 2.497 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1305349733 UEEZKQSQOQVKSH-YGWPLHOASA-N 441.532 2.238 30 10 IEEE CCOC(=O)c1ccsc1NC(=O)Cn1cc(C#N)c(I)n1 1307363497 OCZJBSFEBLOLQT-UHFFFAOYSA-N 430.227 2.236 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc(Cn3cncn3)c2)cc1 1354816528 BJMCXURLDABQLM-LKUDQCMESA-N 438.513 2.392 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cnnn3-c3ccccc3Br)CC2)nc1 1355822165 YBJFKHFGOMJBOS-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OCc2ccccc2)C1 1357209165 CCUQZUNVLWZAMP-NHCUHLMSSA-N 449.511 2.028 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(CCN(C)C)CC1 1358873397 ISQZJKITYSIEAM-HYBUGGRVSA-N 446.640 2.050 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1358905310 XAIQNLUJMJCGPI-QGZVFWFLSA-N 430.578 2.148 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1358912963 CEMVGMGTUOOHRP-IBGZPJMESA-N 431.562 2.051 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936585 RCOVDSLEEIGKKV-HSZRJFAPSA-N 446.596 2.316 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358964628 CLJQTHNVZXIAJW-XLIONFOSSA-N 436.603 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1CCCO 1358976098 QOAZLJXNHNCSIS-HXUWFJFHSA-N 430.556 2.356 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1359033585 HUBYQRVRACYVSM-UHFFFAOYSA-N 439.564 2.400 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCCNS(=O)(=O)CC 1359074170 TZPRCYCALLOUFS-OAQYLSRUSA-N 449.552 2.318 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1359236508 OAXVKANUZSJINF-AWEZNQCLSA-N 433.310 2.318 30 10 IEEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290308 VBLHDUMHDXGODP-OKYOBFRVSA-N 446.596 2.392 30 10 IEEE CC(C)(Cc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439793457 CZWLOLCFTDFXJH-KBXCAEBGSA-N 425.348 2.415 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1440045161 NMFKBBOGSDHDAU-UHFFFAOYSA-N 437.909 2.267 30 10 IEEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCCC1(C)C 1448666436 DNFCLIOSJZFIAK-INIZCTEOSA-N 427.954 2.311 30 10 IEEE C[C@@H](CC(=O)N1CC[C@H](Oc2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1455465589 GLBBOGAVMAWBGY-YOEHRIQHSA-N 431.489 2.323 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O 1466357962 ABGFMYSDBQKGEZ-HNNXBMFYSA-N 437.518 2.078 30 10 IEEE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)CC1 1466924955 GQZDQRLITJJOEI-UHFFFAOYSA-N 444.488 2.044 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCCO1 1467292811 KHUZJGSDIYMORF-DNVJHFABSA-N 434.492 2.183 30 10 IEEE CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)N(C)C)cc1 1470032239 GJCDUJZBPDYKEC-XZOQPEGZSA-N 448.571 2.327 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@@H]3CCCCCN(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1471046761 OEMOQDUOZHIQJZ-VWPQPMDRSA-N 430.574 2.011 30 10 IEEE COc1cccc(CN(C)C(=O)Cn2cc(C#N)c(I)n2)c1OC 1473049416 XTCZZDMGMZCDEG-UHFFFAOYSA-N 440.241 2.035 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1497446570 GSGBSVSGBWGKJG-SFHVURJKSA-N 431.562 2.239 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1501929170 GXVKWJPODYUGAI-KRWDZBQOSA-N 445.518 2.366 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)C1 1505030497 STTKVUPTOAMHCO-SFHVURJKSA-N 439.545 2.461 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1507537341 HFOMGJKTMLLUJX-CVEARBPZSA-N 444.557 2.345 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507580296 ZENITAXCPGMABM-MRXNPFEDSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)Oc1ccc(OC)cc1 1507637024 MQADEGGPWDCVSQ-SFHVURJKSA-N 444.495 2.474 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)no1 1507656016 BNSWUSANYDXMIX-UHFFFAOYSA-N 443.555 2.060 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCCC1 1507685563 RDMVZMHLZJABHA-UHFFFAOYSA-N 430.530 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](SC)C(C)(C)C)CC1 1507737843 GGRNGTCZPCFGKF-SFHVURJKSA-N 443.621 2.422 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1507897172 NLPVDMAJMRIDFI-KYHPRHEASA-N 425.599 2.494 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1507971623 PAIIYFQOSASNQV-HXUWFJFHSA-N 426.565 2.420 30 10 IEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1508015127 KMGQYQHWUMBXPZ-UHFFFAOYSA-N 445.593 2.203 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1508078855 KUVNOXVYRMQRQF-GOSISDBHSA-N 440.548 2.141 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508080103 KMJZFKVTEZMCQR-MRXNPFEDSA-N 443.552 2.411 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCCN(C(C)=O)CC2)cc1 1508100064 CAEIZCLUZJGAKH-FQEVSTJZSA-N 425.533 2.454 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCOCC1 1512943674 VTHIWMCQAYHXEK-HNNXBMFYSA-N 426.521 2.258 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1Cc1ccc(C#N)o1 1513987469 KRDRGQDZMYHEIL-QGZVFWFLSA-N 436.472 2.093 30 10 IEEE CCC[C@](C)(O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1514272641 GGOOTGPJYZQUNC-AJSBUHFISA-N 446.596 2.046 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2c3ccc(Br)cc3nn2C)n1 1525225122 NQIWWEPJYPPOQJ-UHFFFAOYSA-N 430.306 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1539333865 MZNBQJCDXBWOGJ-UHFFFAOYSA-N 445.527 2.148 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCCC(=O)NC 1539517050 HJWGPXIQBHCLKD-SFHVURJKSA-N 429.546 2.119 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539627867 LQOSBKZKPURYHT-RXVVDRJESA-N 439.564 2.411 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540083649 BWWOSZHORWWABK-IBGZPJMESA-N 436.564 2.430 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nc4c(cc3C#N)C[C@@H](C)CC4)C2=O)cc1 1540206359 ZSSZQZSWYWRCFM-LFPIHBKWSA-N 447.495 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1540900575 AJCJOTBNHOGQMK-UHFFFAOYSA-N 445.549 2.124 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nc(C)no2)CC1 1541089005 RAKFZLHJHWHTTG-UHFFFAOYSA-N 434.504 2.418 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@H]1CCOC1 1541470485 PNXMZVNONHGUKN-FQEVSTJZSA-N 439.564 2.265 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1545777165 SXVKQCZVZHJAMZ-LBPRGKRZSA-N 445.405 2.317 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1552454256 HVOLTXXRLQUYIV-SSEXGKCCSA-N 429.546 2.114 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cc(C)ccc1OC 1555668232 HJHCHCMWJURSQD-HKUYNNGSSA-N 429.521 2.291 30 10 IEEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CC[C@@](C)(C#N)C2)c(=O)n(-c2ccccc2)n1C 1557620023 OFTUQSOEHYYTSV-ZHRRBRCNSA-N 441.557 2.307 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 1558490273 MUHVCAUTXPSTNN-DOTOQJQBSA-N 435.546 2.021 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 1560140373 OJWJQRPQYCXQGI-CVDCTZTESA-N 426.517 2.375 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2nc(CN3CCC4(CC3)CC(=O)C=CO4)[nH]c2c1 1560183998 CHEASKRKSAXPQH-UHFFFAOYSA-N 432.546 2.431 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 1570328686 ZCLRKSZJOORPMZ-QGZVFWFLSA-N 435.546 2.116 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCn3cnc4ccc(Br)cc4c3=O)CC2)C1 1585476734 NUJYZGIQLZPZGY-UHFFFAOYSA-N 446.301 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(C)C 1588219090 KLTDJHJWYGFZBQ-UHFFFAOYSA-N 432.528 2.470 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1589259224 ITWPVGGEHLRPNP-IUVFILBMSA-N 445.608 2.494 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC(N)=O 1593704465 WYVSPYFKQMCWKN-CYBMUJFWSA-N 439.358 2.339 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C)c1ccccc1 1594533306 BDLBMZWMDJJNEZ-JENIJYKNSA-N 433.578 2.473 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1594627463 VIGSYBCYUUMBGG-GOSISDBHSA-N 448.593 2.155 30 10 IEEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594709383 SPEPBTGYBKFUSK-UHFFFAOYSA-N 438.576 2.201 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1594943293 NGGJZJHJNURPIX-KRWDZBQOSA-N 435.532 2.073 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CS(C)(=O)=O)c1 1594948601 GRVWFYJKXXHMOA-UHFFFAOYSA-N 443.529 2.221 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCOC1 1595610725 GFKDNFJWTGUJMJ-BTYIYWSLSA-N 433.892 2.041 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncccc2N(C)C)C1 1595680081 FZTRCIZYPFQXFT-FDDCHVKYSA-N 442.564 2.221 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1596751157 DWJXKIMXLHSLIA-IBGZPJMESA-N 426.521 2.118 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F 1608191282 FFHRYESENRRMNX-INFVRCAFSA-N 431.798 2.123 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(F)c1 1608453213 DZNKHNKNLHDVBD-UHFFFAOYSA-N 449.490 2.333 30 10 IEEE CC1CCN(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1612874825 ZIMSQTICZFZGPK-YADHBBJMSA-N 434.560 2.493 30 10 IEEE CCc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)NC)cc1 1613777609 YHUFJPGGPNTUII-UHFFFAOYSA-N 431.500 2.179 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2C#N)C1 1618705367 CWSNZAFYCYTCDI-HUUCEWRRSA-N 428.514 2.028 30 10 IEEE CN(CCS(=O)(=O)c1cccc(C#N)c1)C1(CNC(=O)OC(C)(C)C)CCOCC1 1620621534 KGCSQXOONDWFIF-UHFFFAOYSA-N 437.562 2.338 30 10 IEEE CN(C)C(=O)CC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1624909023 RICNVFJNYJVVOC-UHFFFAOYSA-N 433.350 2.474 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)s1 1631702134 UQLRQMHMPCBNHL-HZPDHXFCSA-N 441.619 2.298 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC[C@@H]1c1cccc(Br)c1 1632953836 SVBXFTLHNGNUAW-RAJOGRCSSA-N 434.290 2.266 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)=NO1 1635881983 IVNOPIUAUITWOS-MRXNPFEDSA-N 431.468 2.016 30 10 IEEE Cc1nc(C#N)n(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1C 1644122706 KLTADVFLUVOOHT-UHFFFAOYSA-N 448.449 2.173 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CNS(=O)(=O)c3ccc(C(=O)OCC)cc3)cc21 1652964340 JPZMALQZZGFPEG-UHFFFAOYSA-N 442.497 2.316 30 10 IEEE N#Cc1cccc2c1CCN2S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1664565416 AEBHMSBQQMCLAK-UHFFFAOYSA-N 431.539 2.484 30 10 IEEE COc1ccc(CNC(=O)N2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)cc1C#N 1683696108 UOSKUVNNPLYQJR-QFIPXVFZSA-N 430.505 2.488 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)C1 1687593519 SBDZEZNLUGHBSI-OKZBNKHCSA-N 428.499 2.449 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1689980025 KJFQZRQYOYEMLC-WMZOPIPTSA-N 446.573 2.484 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689994457 YQDSAEXHKPQGJB-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(SC)c1 1690008229 AWEVTSUCIFVYFF-UHFFFAOYSA-N 441.524 2.159 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690180293 BVMYYYHNIMTADZ-UHFFFAOYSA-N 444.649 2.168 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1690513750 IFLUEBCPYFAJCN-INIZCTEOSA-N 448.535 2.048 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@H]1CO 1690531906 CFAHTTPTUABCQE-NRFANRHFSA-N 438.576 2.028 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CC)C1 1690714299 JOQIMGAUZVISOC-MRXNPFEDSA-N 432.550 2.153 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(N)=O)C1 1690748614 AMKCJOYAXFUUFH-MRXNPFEDSA-N 425.562 2.138 30 10 IEEE C=CCSCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690750792 PYPIPRUWOYSOOF-JOCHJYFZSA-N 449.621 2.441 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1Cc1cn(C2COC2)nn1 1692346723 MSLNCWLJVDAKKW-LJQANCHMSA-N 428.541 2.497 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1[C@@H]1C[C@H]1CF 1692538885 HJUKOOXMWQHMSC-RBUKOAKNSA-N 425.512 2.141 30 10 IEEE C[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1693678266 HWNQDSNGRKTLFK-NFFVOIMASA-N 435.532 2.417 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC[C@@H]1C 1697696132 VBNUVZLMWDPCKY-FXAWDEMLSA-N 441.532 2.131 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccncc1)C1CC1 1698305704 HUAPOSZEGKDHFD-UHFFFAOYSA-N 436.541 2.468 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705520418 STRXSYMDSZCPER-OAQYLSRUSA-N 425.581 2.102 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705531043 WPAFNEAVLPQCNY-GOSISDBHSA-N 447.547 2.027 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705565735 VTFUCLOGKTWXAG-SFHVURJKSA-N 437.525 2.024 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1705569497 DFQMUJZGKYSROM-PGRDOPGGSA-N 448.589 2.221 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nccs2)CC1 1705636278 DPGGVJASOVIHRZ-UHFFFAOYSA-N 438.557 2.417 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1705665880 GXVOWHGLBHXXLK-UHFFFAOYSA-N 427.509 2.283 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705703427 TXXPJYJCCZHUBP-ZVDOUQERSA-N 431.581 2.285 30 10 IEEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCNS(=O)(=O)c2ccccc2)CC1 1705770774 UKCQIJQRRLWORB-UHFFFAOYSA-N 438.557 2.399 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)[C@@H](C)C1 1705996988 AIMMYYNODTXDBJ-KRWDZBQOSA-N 436.516 2.132 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)cc1 1712694937 DNGCSBBFZNANPL-IBGZPJMESA-N 429.546 2.115 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367200 KVCJYHDHJZWZFC-LJQANCHMSA-N 443.573 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)CC1 1722444887 HSOCDNYHFKKYTH-DEOSSOPVSA-N 432.528 2.352 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722580195 YSLSONNZORJXDP-HXUWFJFHSA-N 441.580 2.037 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1)C1CC1 1722646193 KCCRWLQRGBUGIZ-UHFFFAOYSA-N 441.532 2.399 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)S[C@H](C)C1 1722698791 MJRKCVMGVKMXBC-DAYGRLMNSA-N 429.546 2.423 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)OC)CC1 1722706803 YLVVDRNPFSGKTG-UHFFFAOYSA-N 441.532 2.166 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](COC)OC)C1 1722714866 KRNVVDIPWDGWKT-ZWKOTPCHSA-N 430.505 2.159 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1723226643 NQMYMEIVKRPWHS-IBGZPJMESA-N 438.532 2.070 30 10 IEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)c(OC)c1OC 1730149529 DPISRCCAENJZMQ-AWEZNQCLSA-N 430.509 2.086 30 10 IEEE COCCN(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1730731169 DDAHYSJBICJORZ-UHFFFAOYSA-N 436.358 2.354 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740570463 XIFWOXAVNVVCEM-UHFFFAOYSA-N 430.578 2.394 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1scnc1C 1740637708 BOOYOOUZWGVHTL-UHFFFAOYSA-N 443.536 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nccs2)CC1 1740707096 ONIXNFOYOOMHQW-UHFFFAOYSA-N 441.586 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1740762015 QRJKEGIVPBCNIO-QZWWFDLISA-N 426.608 2.103 30 10 IEEE C=C(C)Cn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740785977 KWMNNCUJDLWRAG-VGSWGCGISA-N 445.568 2.469 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740867755 UVNMWSHLYXOLPL-ROUUACIJSA-N 425.537 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1740957308 JHKXYRNMTZUMQM-QGZVFWFLSA-N 441.561 2.228 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCOCC2)C1 1740986192 XLHHFEXCJLSARD-FQEVSTJZSA-N 444.532 2.189 30 10 IEEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1741005943 VUHZLARSSILMNY-LJQANCHMSA-N 445.589 2.344 30 10 IEEE COC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1748361610 BXHFOINPKPQNEI-OTWHNJEPSA-N 443.573 2.349 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1748941146 YSVGATHCMSCPSN-CALCHBBNSA-N 432.569 2.425 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749356203 MRTRTHGSXPZJJO-ROUUACIJSA-N 435.525 2.205 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1749546568 AUCZUSKXVRWCPG-DYESRHJHSA-N 431.537 2.429 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749682054 NQCVOKJOGVGJBY-CQSZACIVSA-N 448.980 2.193 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(C)C)CC1 1749724067 GXJHZBFNWFHISY-UHFFFAOYSA-N 433.578 2.085 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1760100665 XPCYBZDXJUVULO-QFBILLFUSA-N 442.507 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCCC1 1760106607 FGGBRDIEGAEGKS-HNNXBMFYSA-N 430.530 2.489 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760180755 KPULFXXUTOHGEJ-SESVDKBCSA-N 443.617 2.397 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC=C 1760226213 OJBDQDSPIKELJO-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cn2ccc(C)cc2n1 1760250077 CHAVXFGOGQZLBV-UHFFFAOYSA-N 432.532 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CC)C2)CC1 1760271695 HDZABPDUSBXARW-LJQANCHMSA-N 440.617 2.238 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](COCC)C1 1760515326 MDMCGXPABWWIDK-ZDUSSCGKSA-N 437.342 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1760518975 NODGMZWICYMPDB-UHFFFAOYSA-N 440.529 2.173 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@H](C)[C@H]1C 1760528144 TUXYZJMVHDOECG-HZPDHXFCSA-N 431.562 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(CC)c2)C1 1760538584 UYRSIPLLOOVOGA-KNQAVFIVSA-N 430.553 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1760553687 GIVLRLNOFMBSKM-WMLDXEAASA-N 435.525 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCOC1 1760557366 JEHAFFIKBFITEC-GOSISDBHSA-N 434.562 2.300 30 10 IEEE CC(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1761093668 ADUJNFJFXLHJEH-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE CC(C)N(CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1761180698 IDRWWLGCYHNOTC-QGZVFWFLSA-N 439.564 2.436 30 10 IEEE CCc1nnc(N(C)[C@H](C)Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1764697295 GUIOPVLZTWKOGA-VNRULFPQSA-N 438.532 2.443 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1765439719 HQCAMQPYCPRHBJ-QHCPKHFHSA-N 432.532 2.484 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1768449846 SZFYNRGUNKEQKW-RLBWVDARSA-N 435.488 2.076 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1769963505 XFKGNUHJYICQAS-VQIMIIECSA-N 440.548 2.425 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1770142542 BMNQYQYUIPMAGV-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1770314717 SCHSTSZWCWIICP-APFMSCDFSA-N 435.488 2.076 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCN(C)C1 1771109757 DBXIDXMUFKWUJH-NRFANRHFSA-N 448.955 2.040 30 10 IEEE N#Cc1ncc(C(=O)NC2CCC(Oc3ccc(I)cn3)CC2)cn1 1851012909 CHJSTKIUPSNJLW-UHFFFAOYSA-N 449.252 2.468 30 10 IEEE O=C([C@@H]1C[C@@H]1C(=O)N1CCc2ccccc21)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851218123 HNEKNNJDBJFNHZ-QWHCGFSZSA-N 429.420 2.082 30 10 IEEE O=C([C@H](F)CC(F)(F)F)N1CCN(c2nccc(-c3noc(C(F)(F)F)n3)n2)CC1 1851798467 XLSVZANYXWMOTO-MRVPVSSYSA-N 442.295 2.485 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc(-c4ccccc4Br)[nH]n3)CC2)n1 1851805144 VXNKXAAFJOSNOZ-UHFFFAOYSA-N 438.289 2.463 30 10 IEEE CN1CCC(N2C[C@@H](C(=O)Nc3c(F)cc(C#N)c(F)c3Br)CC2=O)CC1 1852101156 PRYNEZOSMGGGAN-NSHDSACASA-N 441.276 2.480 30 10 IEEE CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1 1852500077 GWMZUKMHORMPDF-QZTJIDSGSA-N 440.500 2.415 30 10 IEEE Cc1nnc2c(N3CC[C@@H](NC(=O)c4cccc([C@@H](C#N)c5ccccc5)n4)C3)nccn12 1852612282 JQLNFYOQCNEJIX-MOPGFXCFSA-N 438.495 2.492 30 10 IEEE N#Cc1ccc(F)c(C(=O)OC[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c1F 1852702200 MXMAUFDNZCYNEM-QGZVFWFLSA-N 434.464 2.335 30 10 IEEE Cc1c(CN(CCS(=O)(=O)N2CCCCC2)C(=O)c2ccc(C#N)cc2)cnn1C 1853542642 HZAUAOIYQVUKCW-UHFFFAOYSA-N 429.546 2.058 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 1862579237 MNYIIFKPSIXBIW-FQEVSTJZSA-N 443.452 2.292 30 10 IEEE CCOC(=O)CN(C)C(=O)[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(C)C 1868782288 GJVFPYIQUZCQAB-XLIONFOSSA-N 448.589 2.187 30 10 IEEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC)CC1=O 1872981467 AWLDPMJVVFDPOM-OALUTQOASA-N 437.581 2.256 30 10 IEEE CCOc1c(Br)cc(/C=N/n2c(CC)nnc2SCC(N)=O)cc1OC 1874525040 SKGKXSFJQYXGEA-UFWORHAWSA-N 442.339 2.470 30 10 IEEE COc1cc(OC)c(OC)cc1/C=N/n1c(C)nnc1SCC(=O)NCc1ccco1 1874531864 FVHMNXCXQROXCK-LSHDLFTRSA-N 445.501 2.496 30 10 IEEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)nn1C(C)C 1889323152 OQCISHTWLDUJKT-UHFFFAOYSA-N 429.609 2.423 30 10 IEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NCCCn2ncccc2=O)CC1 1891397195 KMGOEBIYOLASQE-UHFFFAOYSA-N 438.513 2.254 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2015033967 IBGCOQCHKPWHKL-HFSQFLJFSA-N 439.553 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2063391939 BHEJHKFSJRIJTA-TWJGEFDFSA-N 436.358 2.299 30 10 IEEE CO[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCN(C(=O)OC(C)(C)C)C1 2141668675 VOQHNQKFRSCUCQ-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCc2c(C#N)cccc21 2189920803 BNUNRTHOUIIKRS-OAQYLSRUSA-N 427.457 2.275 30 10 IEEE C=CCn1ncc(NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1=O 2190273891 NPGCFDXIHJRJLD-UHFFFAOYSA-N 443.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#CC(=O)O 2229106070 OPQZCEPSMOESJQ-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE CC(C)(C)OC(=O)NCCCN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2232314216 QVUMRZUHGVBGOP-UHFFFAOYSA-N 446.401 2.418 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831914 GNVQRHBKZIDVTL-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE Cc1csc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2247832201 LDIIYFOGHLLLOQ-UHFFFAOYSA-N 432.273 2.106 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)B1OC(C)(C)C(C)(C)O1 2247960905 AHYLMRDSYNQZJK-HNNXBMFYSA-N 442.387 2.493 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2252816266 NKNVDEQQFKEMLK-CYBMUJFWSA-N 426.294 2.438 30 10 IEEE CN(C[C@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCO1)C(=O)OC(C)(C)C 2255375654 VHNXRSKLJAGQCI-INIZCTEOSA-N 433.358 2.453 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCC1 2255598208 VMYMCHXCMAYFAK-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2255613410 CBQSDPUQKZBUHK-FOLVSLTJSA-N 432.326 2.482 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255623049 ISISKYNKVOFOOZ-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255698534 RBPDSDMAPBEZRJ-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE Cc1c(C(=O)N(CCN(C)C)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255824309 FSZSJZCJJAUMCD-UHFFFAOYSA-N 426.370 2.232 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256597754 JKGIXDSRIBIXSR-CQSZACIVSA-N 449.382 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CC1 2256625803 BVUZEBPTAYMTQK-UHFFFAOYSA-N 438.330 2.392 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256664951 HMIUKWLSBRBVAC-INIZCTEOSA-N 438.305 2.339 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H](C)C1NC(=O)OC(C)(C)C 2267139037 AKEOINRYVHXODZ-KBPBESRZSA-N 448.373 2.330 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCC4(C3)OCCO4)c2)OC1(C)C 2267376805 ABMPLBOSHYPRPT-AWEZNQCLSA-N 429.369 2.011 30 10 IEEE CCN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267502698 RRPVFVZEAQEJQG-LJQANCHMSA-N 438.381 2.456 30 10 IEEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267873399 PGZGXXCKSHPDIR-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCOC1 2272569257 NQJVOFHNCGVRJS-INIZCTEOSA-N 447.341 2.345 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1cccs1 2296115751 IQNFDILSXQNFSS-SFHVURJKSA-N 443.481 2.410 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300302859 DZGNEBYTOKSJEO-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 2337327149 BUUMZBOPTHDXNJ-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CCOc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 5358469 GZAHIAQOZLWZOF-UHFFFAOYSA-N 432.484 2.327 30 10 IEEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc(F)cc1 20292081 WOFDZYKGZNQETR-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE COc1cc(NC(=O)CCSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc(OC)c1 20837570 VSPAQKHLCPTDLV-DJKKODMXSA-N 430.494 2.122 30 10 IEEE COc1ccccc1NC(=O)CCSc1nnc(N/N=C/c2cccc(O)c2)n1N 20915264 SZKLBQWIBGNPQE-CIAFOILYSA-N 427.490 2.273 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 20915685 DPPPVCRNXAUIIT-BYWZACNXSA-N 437.529 2.429 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1O 21318841 HXPFKLUSHKKAOK-ZVBGSRNCSA-N 431.453 2.022 30 10 IEEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cn1 59311951 DUORIIIJMXDFSK-UFWORHAWSA-N 430.494 2.215 30 10 IEEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(CCC#N)CC3)cc2)n1 62040701 WRJYIHJKMGPPKQ-UHFFFAOYSA-N 442.545 2.458 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 102530866 SWZBATZAGANGFU-GOBJLOIFSA-N 426.469 2.432 30 10 IEEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1 102715725 LZATXVLIHHAUMT-RKKARLDVSA-N 449.507 2.400 30 10 IEEE Cc1nn(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)c2ccccc12 106016294 LWLKWSLIBHRLJP-UHFFFAOYSA-N 444.451 2.173 30 10 IEEE CC(C)N[C@@](C)(C#N)Cn1cnc(I)c1I 304457970 XPJIPTHAEJAQIM-JTQLQIEISA-N 444.058 2.373 30 10 IEEE CCN(Cc1cn(C)nn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 461809828 POPHAKRCNARNLH-HXUWFJFHSA-N 436.520 2.453 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 481912232 JQEJIBWIISAHDX-RIFZZMRRSA-N 446.598 2.486 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491602354 TZBJIHGPHYGOAV-UHFFFAOYSA-N 438.578 2.289 30 10 IEEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCN(c4ncccc4C#N)CC3)c2C)n1 498665241 CUMLAPLGYWHHTL-UHFFFAOYSA-N 430.516 2.054 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 505729087 IUYPVXFJZTUOLV-PGRDOPGGSA-N 448.951 2.272 30 10 IEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)nn1-c1cccc(C#N)c1 512941310 RIRHTXOEIGOWHO-LJQANCHMSA-N 429.480 2.462 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 523743768 LGNOWYYTLLMREQ-UHFFFAOYSA-N 446.956 2.481 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(F)cc(F)c3)c2=O)cn1 534424893 HYPGWUDQZMGHKB-UHFFFAOYSA-N 440.475 2.266 30 10 IEEE CC(C)(C)OC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 555053427 OZQMPEUZXRHDIP-UHFFFAOYSA-N 429.498 2.108 30 10 IEEE N#Cc1cc2c(nc1NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCCC2 561220457 QZMKIXPOSXETON-UHFFFAOYSA-N 426.498 2.105 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)C2)c(F)c1 574592480 ICQMJIYTIOWYHK-SFHVURJKSA-N 442.516 2.380 30 10 IEEE Cc1cccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 726403006 VDJWUXRTKDPRQA-SFHVURJKSA-N 437.525 2.289 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416221 JSLKSKFRJPJRRP-CQSZACIVSA-N 436.489 2.381 30 10 IEEE C#CCN(C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3)[C@@H]1CCS(=O)(=O)C1 729332753 WQRPUBPYFSAKBN-UONOGXRCSA-N 447.582 2.103 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2csc(N3CCCC3)n2)ccc1F 734233443 JLJAVNHGTGPANJ-UHFFFAOYSA-N 438.550 2.319 30 10 IEEE COc1ccc(CNC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc1C#N 746920975 DEHVAIQDBGPFRQ-UHFFFAOYSA-N 431.499 2.093 30 10 IEEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)[C@H]1CCS(=O)(=O)C1 751274406 ASTQUJLKWPZTQH-PMACEKPBSA-N 438.549 2.341 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 758577171 LJNVILOSAUVUTM-WMZOPIPTSA-N 443.548 2.265 30 10 IEEE Cc1csc([C@](O)(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C(F)(F)F)n1 761037107 NHSNVKLXYDMWSB-QGZVFWFLSA-N 425.436 2.207 30 10 IEEE CN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 761056385 ONPDHQPJYIMWMP-PXNSSMCTSA-N 446.960 2.330 30 10 IEEE N#Cc1cccc([C@@H]2CN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)CCO2)c1 761757214 PZWZJDHOPVWDLG-QHCPKHFHSA-N 432.524 2.353 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)cc1OC 762658580 OUHFYAXUEUGKFN-INIZCTEOSA-N 426.535 2.118 30 10 IEEE O=C(CNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)Nc1ccc(F)c(F)c1 762937822 MQHXKEISOBXISG-UHFFFAOYSA-N 442.291 2.479 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)CCC(=O)OCc1ccccc1 770806868 GOHSWAXBDOIXNC-UHFFFAOYSA-N 441.465 2.444 30 10 IEEE N#C[C@H](Cc1ccc(F)cc1F)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 774320005 KCDGRGUJZYGNQC-HRAATJIYSA-N 439.418 2.418 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)OCCNc3ncccc3C#N)C[C@H](C1)C2=O 778629554 PVSFRNXKYLKAEK-ALOPSCKCSA-N 428.489 2.371 30 10 IEEE COCc1ccccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 779305901 QBEQTHPYYFLXHI-UHFFFAOYSA-N 436.511 2.029 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 787061102 CFLCZWRDTKZEDA-ACJLOTCBSA-N 442.378 2.251 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2cccc(F)n2)C1=O 790736206 MKLBBRZUPRSRLT-OAHLLOKOSA-N 435.550 2.482 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H](O)COC)ccc1Cl 802221632 SSBOFGGJULGVAF-KRWDZBQOSA-N 438.933 2.458 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 813723199 BDMODUDGGRFFHV-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 877012240 QMWDZHGBPNVTNL-AWEZNQCLSA-N 433.461 2.226 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918219684 NAKYJXXDGUBBNU-UHFFFAOYSA-N 438.507 2.085 30 10 IEEE CNS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 928537443 CHUJRRWNZCGQTD-JERHATOGSA-N 435.546 2.379 30 10 IEEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC 1127915879 XPOJQEUTXWMCDP-HSZRJFAPSA-N 448.483 2.232 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)ccc1F 1129264322 KWMRPLKPVJGPKT-UHFFFAOYSA-N 440.460 2.303 30 10 IEEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1129748483 FQCOBQZYHWJUPR-HNNXBMFYSA-N 431.341 2.255 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 1132668084 AOLGBBCXGOKMDS-UHFFFAOYSA-N 431.186 2.037 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cc1 1155847159 VSZHILCTUXGKPI-INIZCTEOSA-N 431.876 2.003 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)[C@@H]1CCCO1 1226724591 LJKQLCZMSMGZJI-UXHICEINSA-N 433.574 2.181 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1286272025 YJUWHBJFSADCIQ-MKTHODDLSA-N 436.541 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1286289743 MYPCNNYIXQGHON-CQSZACIVSA-N 430.509 2.331 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1286338845 GBOFOOZYSLIQCB-UHFFFAOYSA-N 425.533 2.346 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286398241 HTYWEXZDAWKVMF-OWCLPIDISA-N 428.505 2.192 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286402365 ADDAQVMMQOMXDR-XMMPIXPASA-N 433.512 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286407200 RESHXSJDZLEUGI-HSZRJFAPSA-N 441.539 2.190 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286527999 MTHJCRPQOXNEIF-WMZHIEFXSA-N 442.585 2.499 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCOC)CC1 1286660889 TWPDNENNXBYEOA-UHFFFAOYSA-N 438.532 2.257 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1288353902 AZWCMERITWMMJT-MDZRGWNJSA-N 438.546 2.112 30 10 IEEE CCCN1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1294670903 UHAZNIOKOILNAJ-REWPJTCUSA-N 446.596 2.169 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2CCC(O)CC2)s1 1295882117 PNEWBOVRDYCKPD-UHFFFAOYSA-N 449.598 2.350 30 10 IEEE O=C(NCC#CCO)c1ccc(NC(=O)c2ccccc2I)cc1 1297016017 CMDUAMBQBSZNEY-UHFFFAOYSA-N 434.233 2.269 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1298283748 MYWXKLQXKYQDMI-XDOYNYLZSA-N 442.483 2.308 30 10 IEEE CN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1298345842 MFHVVMQMVDWHCK-FCQUAONHSA-N 443.511 2.427 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1299756795 PGCILCAUXSQOOI-LSGABVIPSA-N 439.520 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C(C)C)N1CCOCC1 1300520850 PLRJVXFALGUTFP-LJQANCHMSA-N 426.952 2.423 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](C)C1 1300876250 RQTQCIKZFGMSTB-MLHJIOFPSA-N 425.599 2.496 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCCS2(=O)=O)CC1 1301089353 SSICXEVAFYJELP-UHFFFAOYSA-N 445.589 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCCCCC1 1304002587 UMTJQXBAAKCELY-FIKGOQFSSA-N 439.578 2.247 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1=O 1307388419 DVHJQIUFRTVBIS-UHFFFAOYSA-N 432.402 2.291 30 10 IEEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CC[C@@](C)(C#N)C3)C2=O)cc1 1307950670 ZWPDVYJSYIBKOX-JMOSNPTESA-N 442.541 2.473 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccnc3OCC(F)F)CC2)c(F)c1 1309137051 DMAXNWINOSOJSQ-UHFFFAOYSA-N 426.420 2.247 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)c1 1309556429 CESMSVKILSAUQD-WOJBJXKFSA-N 428.510 2.180 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)C(C)(C)C 1310050694 MYPZJJQMKCCNAH-CRAIPNDOSA-N 435.546 2.430 30 10 IEEE C=CCC[C@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1311666698 LFGDHLPTWGPWIR-GOSISDBHSA-N 428.512 2.069 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1313962966 BPKLHQGRQYVCDK-IBGZPJMESA-N 440.548 2.221 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1315978844 FHSQJCXNNWMNQP-UGKGYDQZSA-N 425.533 2.264 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1316252322 WBDVVCSQERITEA-JRGCBEDISA-N 441.532 2.395 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(-c4cnccn4)n3CCOCC(F)F)CCO2)c1 1316531691 QKOGZRTYJZMBOG-GOSISDBHSA-N 441.442 2.466 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Br)cn1 1358900871 UPANSJRBOBMUNJ-DZKIICNBSA-N 437.342 2.119 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1358921963 OZAVGKJDPASXGM-GFCCVEGCSA-N 428.356 2.318 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1358957833 BCVPHTZYIFNTIK-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NC(C)C)CC1 1359030828 HKNAHHZAFOSMHY-UHFFFAOYSA-N 431.544 2.082 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359216023 NRMXSVVVEHGTJK-NRFANRHFSA-N 438.576 2.187 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Cl)cc2C1 1359291495 SKHYNBQHINJNCK-UHFFFAOYSA-N 428.924 2.032 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359344946 NSSMYCPDFXTCAC-HDICACEKSA-N 428.562 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccco2)C1 1359578534 JKRLGKSLFHJEFQ-HLLBOEOZSA-N 428.493 2.419 30 10 IEEE CC(C)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1359596476 LBQGEFYYRZUVAR-HZPDHXFCSA-N 434.541 2.204 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)OCC 1438405814 YGOBALBIPYOIJI-WBVHZDCISA-N 428.938 2.278 30 10 IEEE COC(=O)c1ccc2c(n1)CN(C(=O)COc1ccc(C#N)c(Br)c1)CC2 1440053272 MOGYBXPEENTIKF-UHFFFAOYSA-N 430.258 2.466 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NOc3cccc(C#N)c3)CC2)cc1OC 1454685074 STJBMVLGWOYVLY-UHFFFAOYSA-N 445.497 2.086 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)cc2n1 1456180575 GTZXTFPVEVRUNO-IBGZPJMESA-N 431.452 2.091 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2[nH]cnc2Br)CC1 1463627794 BFUMUPWYZOJNAG-ZDUSSCGKSA-N 444.742 2.397 30 10 IEEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 1463899335 ORVYSCLTHWOUJC-FOIQADDNSA-N 441.534 2.209 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1464996086 FVIIIBPAGVJLMM-HNNXBMFYSA-N 437.990 2.295 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)CC1 1465278309 FIMAMRWDHPENEF-UYAOXDASSA-N 447.601 2.333 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OC)[C@H]3CCC[C@@H](OC)C3)ccc2c1=O 1469740055 BZTMLQAFQKFFCA-JOQOYGCGSA-N 445.541 2.348 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1479159871 OUOQHHJEVJHDIG-INIZCTEOSA-N 444.479 2.023 30 10 IEEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1497613593 IKCQVNVMUDWUJG-AQMPTVPWSA-N 440.504 2.378 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1498070283 QGHBKOXLMZKNOE-UHFFFAOYSA-N 446.577 2.099 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1507521511 NYEVLXNASVSHAR-JTDSTZFVSA-N 431.562 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 1507536103 AOKWXSRZJLTHFU-MSOLQXFVSA-N 429.638 2.365 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCCC1(C)C 1507603571 CDJLTLWGGWKRSS-MRXNPFEDSA-N 430.578 2.431 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccnc(OC2CCOCC2)c1 1507646962 VHBCPULYJXUDSL-UHFFFAOYSA-N 428.496 2.414 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCC[C@H]2C)CC1 1507729185 FWMAIZJZCXDXJV-GOSISDBHSA-N 428.531 2.387 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC1 1507729449 HHLRCMOXNXGNFA-UHFFFAOYSA-N 428.968 2.050 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@@H]1C 1507809039 WBRZAPMSPNMLAU-VIQHNZTISA-N 443.639 2.200 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507810306 YQPUVPHBSOCVNX-AQNXPRMDSA-N 430.597 2.126 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1 1507812703 YQUYIOPUCSWKNJ-FIKGOQFSSA-N 441.532 2.159 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1507953445 FZTSGNNMKFAJIG-IBGZPJMESA-N 443.573 2.109 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1508096685 IUNJXSAMFJCIME-MRXNPFEDSA-N 444.561 2.241 30 10 IEEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCNS(C)(=O)=O 1508533931 WXXRIMSIMXROAH-MSOLQXFVSA-N 430.578 2.258 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)NC2CC2)CCOC1 1509805523 SAJVEHLIHGTXQH-JOCHJYFZSA-N 430.553 2.117 30 10 IEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)s1 1513713708 BAQNRUNUVMWCIQ-AWEZNQCLSA-N 439.545 2.496 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1530737111 ZJURCCBHLMDSQO-WBVHZDCISA-N 430.364 2.197 30 10 IEEE CC[C@H](C#N)N(CC)C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1538447016 DQQIKWDZPHJKCS-MRXNPFEDSA-N 429.546 2.307 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1538973472 MUFOYWIMBFZKNZ-LBPRGKRZSA-N 429.326 2.090 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1539116782 RZFLIOADBMKMRR-QGZVFWFLSA-N 448.527 2.478 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1539219408 CGFDHGSVYHJDDG-KSZLIROESA-N 438.619 2.290 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539497371 JQWCDVPWSGSANY-NRFANRHFSA-N 446.598 2.335 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539974653 SKPWIACSZSQTHL-CVEARBPZSA-N 428.562 2.341 30 10 IEEE C=CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1540116601 YCAMVQWGUBGPKZ-INIZCTEOSA-N 432.546 2.455 30 10 IEEE C=CCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540860815 NBJOHXKZBCMCLK-IYBDPMFKSA-N 445.568 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1540901723 NGZBAEDYLKBZNI-UHFFFAOYSA-N 448.564 2.469 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)cc1 1542482678 APWKCBNIYFXAAM-SFTDATJTSA-N 441.532 2.480 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1555938340 CHYBEDMMZQNJJT-OAQYLSRUSA-N 429.546 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1556071098 BTZQPYFDBFFUOH-LJQANCHMSA-N 438.488 2.155 30 10 IEEE C#CCOCCN(C)C(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1558865567 NQQXJIGEGLRTIA-VWLOTQADSA-N 431.492 2.274 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1567482826 FZYBVYYLJDPHHQ-UHFFFAOYSA-N 443.554 2.127 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 1569815592 MINQMJYVEPYWPG-UHFFFAOYSA-N 439.273 2.138 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)CCNC(=O)c1ccc(Br)cc1)CC(=O)N2 1584354678 GIJDCSKNAGNSBB-UHFFFAOYSA-N 427.258 2.426 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1588011742 IWNSACHOURKRPX-SFHVURJKSA-N 438.532 2.347 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1588053562 FTMKOBWFJIEWMK-KGLIPLIRSA-N 440.978 2.172 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(N)=O)CCOCC1 1588280057 FNJKXDLKWJURHU-UHFFFAOYSA-N 433.459 2.288 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(-n2cccn2)cc1 1588560375 PHAAIPXWWJRVTK-UHFFFAOYSA-N 447.543 2.029 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1595115180 GDUJBMNEPQBHTE-VQTJNVASSA-N 445.589 2.399 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](OC)C1 1595517331 XLYQGFGFSZDYNX-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1F 1596588836 BCFKGBDMVNVXML-UHFFFAOYSA-N 428.489 2.124 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCCO 1597331524 VKNMZQLOMVBUQO-UHFFFAOYSA-N 440.592 2.460 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C 1613530422 DAQRBTGAFIOQFE-MWTRTKDXSA-N 440.548 2.244 30 10 IEEE CC1CCN(C(=O)C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1625189348 LEWZZUPYCGKAJF-UHFFFAOYSA-N 435.521 2.234 30 10 IEEE C#CCCOc1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1626731286 CTZOXGKSZMRNSJ-UHFFFAOYSA-N 431.470 2.047 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 1628449361 ONNSOABTMKGEKV-UHFFFAOYSA-N 440.544 2.207 30 10 IEEE CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1632815591 YBHIFKUELGXRKQ-UHFFFAOYSA-N 438.321 2.172 30 10 IEEE COC(=O)N(C)CCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636976699 MPPLLUSXWROZLA-OCAPTIKFSA-N 427.292 2.497 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1637415255 BJYMEQIFEJQIBP-APWZRJJASA-N 447.557 2.286 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2OC)c1C#N 1638116909 IZOZNDACNUWYEX-QVKFZJNVSA-N 449.515 2.344 30 10 IEEE N#Cc1ccc(OCc2ccc(C(=O)N3CCN(C[C@@H]4CCCS4(=O)=O)CC3)o2)cc1 1642937039 QCCXNQGDZZCCPM-FQEVSTJZSA-N 443.525 2.065 30 10 IEEE COCC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(C)C 1648125602 LKJXZHNDAGBSBM-NGZCFLSTSA-N 440.331 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 1655557661 GNJFJMVMXRCCOH-IAGOWNOFSA-N 427.567 2.404 30 10 IEEE Cc1nn(C)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 1662103994 AUMMRVPNDIZNTB-WDEREUQCSA-N 427.303 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)C1 1681226601 IODKJGQLNUUJMD-RCCFBDPRSA-N 436.553 2.002 30 10 IEEE C#CCC[C@@H](O)CNC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1687574738 SEJWQHRMDKDZDV-OAQYLSRUSA-N 444.576 2.313 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1689831641 OJSSEBMAAFCUFP-WZONZLPQSA-N 441.580 2.337 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689940281 TXOOCVJHKGDRFB-UHFFFAOYSA-N 449.552 2.270 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(CN(C)C)c2)CC1 1690142990 ZBNNADHDLSMZNY-UHFFFAOYSA-N 445.571 2.349 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690245080 COYONFBVJYAKGR-DYXWJJEUSA-N 431.581 2.458 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690305842 JTLDKAYTFUOWJW-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1690472609 RGURWIRMWFWJOZ-INIZCTEOSA-N 429.550 2.242 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1cc(C)cs1 1690665511 GMPUBTYCVRCLNN-UHFFFAOYSA-N 449.544 2.229 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1 1690677830 BOIOKBGUHYCHTP-INIZCTEOSA-N 445.524 2.277 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)C1 1690697208 QLVFHUYADBANJW-FVQBIDKESA-N 432.550 2.223 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1690732070 VCDFVHIYWCHUOG-YLJYHZDGSA-N 426.583 2.157 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1694352294 VHUFEEHJTNUFHY-RTBURBONSA-N 443.596 2.188 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1c(F)cc(F)c(F)c1F 1698058093 AICMLIGQLUUYEE-UHFFFAOYSA-N 442.417 2.387 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1705566844 RCOYNYJKXIPFBI-SFHVURJKSA-N 444.557 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)[C@H](C)CC 1705582259 XBXIKOFYNTWLGC-DVECYGJZSA-N 435.576 2.322 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCn1cc([C@@H]2CCOC2)cn1 1705587347 QYESDJLSJLPJIO-LJQANCHMSA-N 448.502 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1705605434 KXCUKUWOZAHZOT-QHCPKHFHSA-N 426.517 2.483 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1nccnc1C 1705629125 YAMBXLXBYOZABN-NRFANRHFSA-N 434.500 2.218 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705661874 KSLZEIVRWWJKSI-HZPDHXFCSA-N 432.550 2.233 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1705671235 BNAPJULYLPTJRR-CNRFCZHISA-N 446.511 2.472 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCN1CCN(C(C)=O)CC1 1705676013 JMXZOWDJRSWPIX-JOCHJYFZSA-N 426.590 2.087 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705686645 GKXFTSPVWWFZCZ-OAHLLOKOSA-N 436.358 2.328 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1705717606 NOWKQHCUJOBZFE-INIZCTEOSA-N 441.598 2.497 30 10 IEEE Cc1nnc(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)s1 1707845227 MCYHGRZWJLUXND-CYBMUJFWSA-N 425.522 2.314 30 10 IEEE CC[C@]1(C)CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1708856525 TTZSERXVVMUIKP-LBMBTHBCSA-N 436.516 2.477 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1)S(C)(=O)=O 1710140484 AZVGPXCYAVGTHZ-IAGOWNOFSA-N 446.577 2.102 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1 1710296608 FWBZLJHFMUKSRR-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1722282113 LMNLCUGSUVZKHS-XLIONFOSSA-N 433.564 2.499 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1722322200 PAZULTVEIVMPTK-GOSISDBHSA-N 428.581 2.305 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)c2ccco2)CC1 1722440895 LRSKRRBGJLROFG-XMMPIXPASA-N 435.528 2.156 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722459675 OXHPIWRDQXACJO-HZPDHXFCSA-N 444.573 2.418 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1722494423 MHQKCRJSEBXPQZ-SUMWQHHRSA-N 449.353 2.343 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722554318 DDVMWSSQHASVDL-LSDHHAIUSA-N 427.933 2.264 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1722609028 QETLXNKEKBSUEQ-APWZRJJASA-N 449.577 2.441 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1722621347 YWPIELZNRVRLJO-WMZOPIPTSA-N 431.516 2.224 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnnn1C 1722659134 OXBBPRPTQWDVSO-QFIPXVFZSA-N 441.511 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722697735 OCJRBUFERVPDOZ-UHFFFAOYSA-N 426.912 2.334 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1722716058 SGCGDQZVJWHTOH-SJORKVTESA-N 432.546 2.170 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)F 1727204296 DJTSIMWCEGZLCS-UHFFFAOYSA-N 437.426 2.294 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1729636803 GHJJVFDQDAXOPM-QGZVFWFLSA-N 439.564 2.031 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sccc1C 1730763315 FHAZJNDQHCXEHQ-MRXNPFEDSA-N 437.591 2.159 30 10 IEEE N#Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)o1 1731184115 AQWQRUHQJCJSQC-CQSZACIVSA-N 445.405 2.358 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@H]2CCCO2)CCO1 1731187337 NNLNJFDYXVIGTM-WOJBJXKFSA-N 429.496 2.322 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC[C@@H]2CCCCO2)CC1 1740689351 BXIZVCOKJXNZIF-FQEVSTJZSA-N 430.597 2.301 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1740725693 TUHVLICTRPDMPF-LVCYWYKZSA-N 436.626 2.145 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN2CCOCC2)CC1 1740842731 KGAYRVGFUKMURY-GIVPXCGWSA-N 433.597 2.373 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740884768 MCKAUSWTBVGDMP-IBGZPJMESA-N 439.568 2.396 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740930549 VQNADMNSZNIGDJ-KRWDZBQOSA-N 432.536 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C[C@@H]1CC 1740995596 QSVUIALOASONKG-OWSLCNJRSA-N 426.583 2.228 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1748451841 GBOQBCWCIQZIDQ-HXUWFJFHSA-N 426.521 2.068 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](OC)C2CC2)cc(OC)c1OC 1748524062 FIWGBADLAFHANI-LPHOPBHVSA-N 443.504 2.125 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1748740304 QZVBSQOMPDHUBB-UHFFFAOYSA-N 440.511 2.051 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)c(F)c1 1748801924 JPDNYZNTSPGHQW-RXVVDRJESA-N 443.523 2.096 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCCC2)nc1 1748874720 CYCJOLRFLLMQTA-UHFFFAOYSA-N 433.560 2.313 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCC)CC1 1748978882 RPARXSDRGMCUQQ-UHFFFAOYSA-N 443.621 2.492 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1749103794 DDQSQQHVXRKPSE-AWEZNQCLSA-N 445.383 2.238 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@H]2C)CC1 1749324462 WFAFMYNMNUMJKL-QGZVFWFLSA-N 425.537 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1749733789 CHJWYCNDCNVLSN-UHFFFAOYSA-N 441.598 2.325 30 10 IEEE COCCOCc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)cc1 1750081208 SLSXDOXGWBNYHR-HXUWFJFHSA-N 436.516 2.224 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCSCC1 1751251517 GBEOBICTKAOSFD-LPHOPBHVSA-N 446.552 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(N2CCOCC2)CC1 1760101389 OORLUZCQOFJMFY-HNNXBMFYSA-N 447.381 2.369 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)N(C)C 1760104343 XAMBPYDBHWVTSI-CABCVRRESA-N 435.619 2.481 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1760105677 SNPWQWUFMSXRJY-HNNXBMFYSA-N 434.500 2.353 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760136991 DJQDXKCHDSPORZ-BGYRXZFFSA-N 439.564 2.106 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1760188524 BKJUMPJMHDFZLA-RBUKOAKNSA-N 445.614 2.034 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1760201789 JMIVVTLFFVHGBP-GOSISDBHSA-N 433.512 2.051 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCCN(C)S(=O)(=O)CC 1760215827 OTWYDBYJFKHXBU-UHFFFAOYSA-N 427.574 2.388 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C(C)C 1760241840 LQMFRTPRQUKSMU-GCJKJVERSA-N 448.564 2.366 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2F)CC1 1760251917 LAYCZJQOLKCWIX-UHFFFAOYSA-N 433.491 2.176 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2ccc(C)cc2)CC1 1760252650 TWCRSKOPFJCIDE-UHFFFAOYSA-N 438.576 2.339 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1760530583 VWHJVNQLCQPKHE-RTBURBONSA-N 425.533 2.487 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1760532566 YSJQTYDLPHLIPQ-KRWDZBQOSA-N 427.505 2.029 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCS(C)(=O)=O)C1 1760543865 SXTFFFIWVSPSML-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccc1F 1761493392 HSSXSTNXYFTOMJ-MGPUTAFESA-N 434.541 2.400 30 10 IEEE CCc1nc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cs1 1764651318 SIHWYWZLWJKNHB-QAPCUYQASA-N 445.593 2.246 30 10 IEEE CC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765122624 HNUWOUGTXKPYRU-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1765561596 BSVZLLOYSHRTMM-HXUWFJFHSA-N 429.613 2.330 30 10 IEEE CCNC(=O)C1(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1767200622 VQJRFQVXOWCPDI-VGOFRKELSA-N 432.569 2.221 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1768634557 RWSUPFSSWKGXDU-OALUTQOASA-N 429.546 2.115 30 10 IEEE COC(OC)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)c1 1769687632 ANUCFOZSXAAWKD-INIZCTEOSA-N 426.521 2.450 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC[C@H]2CCCO2)c1 1770746137 KDDSIOJAKDZKOC-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1771351084 IACXLUVEDUVBGE-HXUWFJFHSA-N 443.573 2.332 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2=O)c1 1853924024 GAPPYTWWJGKMTJ-UHFFFAOYSA-N 449.891 2.360 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1854719130 AJFZYNPEHNHEMB-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)c1 1867175498 HGQMCMVRSATXTP-LJQANCHMSA-N 430.468 2.085 30 10 IEEE CCCCCCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688067 WTJUNLILLFBWRN-UHFFFAOYSA-N 430.553 2.430 30 10 IEEE C=CCOc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874336710 CTSAVPMEXCQPNQ-IMQYADFFSA-N 442.545 2.027 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(OC)c(OC)c1 1874469601 NKPRCFYCPNKZDA-FYJGNVAPSA-N 435.550 2.327 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cccc(Br)c3)CC2)CC1 1889383564 GGDVIPHTSBFEOJ-UHFFFAOYSA-N 448.405 2.250 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1 1889598472 YCTZJVVHTJQDGF-UHFFFAOYSA-N 433.618 2.032 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cs1 1890734663 GIYIRLCNYRPYFK-UHFFFAOYSA-N 430.505 2.480 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2010226386 ZVMREWYZVGFVEL-QAETUUGQSA-N 439.553 2.074 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2052718558 YFPZUTMCKSSOOK-RDJZCZTQSA-N 436.358 2.286 30 10 IEEE CN(C(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2067794107 ZXAZQWQKEBDMQE-HNNXBMFYSA-N 434.342 2.082 30 10 IEEE CC1(C)OB(c2cnc(N3CCOCCC34COC4)c(Br)c2)OC1(C)C 2172783410 FDINSOJEVINLHH-UHFFFAOYSA-N 425.132 2.139 30 10 IEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224102508 ZWJZTFKBYHJMQK-JKSUJKDBSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837489 QCMIERUSACZVMF-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255950816 UXLVWAITBXJGKU-HNNXBMFYSA-N 446.382 2.104 30 10 IEEE CO[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)OC(C)(C)C 2256896770 ZCHJTANWALYELP-HOTGVXAUSA-N 437.321 2.248 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267135499 DFONQERQQWRBNJ-CABCVRRESA-N 446.357 2.323 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139264 DIQUYFIAOMMMQD-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C 2267154454 XLTBGRHZZBWHLU-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267274906 HCXZFYKRZXBENE-ALXJQNPVSA-N 445.369 2.262 30 10 IEEE Cn1ncc(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267505526 JSUBQBUHUOMRFU-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)nn1 2268640117 FMNDDSXZOBLJAH-INIZCTEOSA-N 447.345 2.139 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCOC1 2268716118 MCEHSTSYEYYNQK-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268721873 RFOYXTVUFBZLCB-AWEZNQCLSA-N 447.345 2.290 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2272632300 FFVBUIXAOBNQAQ-NPMXOYFQSA-N 443.353 2.368 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)nc2)OC1(C)C 2282185958 NUCBHXMVWFPZOB-YADHBBJMSA-N 449.360 2.106 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)NCC3CC4(C3)OCCO4)ccc2Cl)OC1(C)C 2282871984 OMCUSBCEVBQSRG-UHFFFAOYSA-N 443.758 2.071 30 10 IEEE Cn1cc(I)c([C@H](O)[C@@H](N)C#Cc2cccc(Br)c2)n1 2296221395 IKYGXAKNYHPAHX-GXTWGEPZSA-N 446.086 2.200 30 10 IEEE C#CCNC(=O)C[S@@](=N)(=O)c1cc(I)ccc1Br 2316461043 NHYKTKAWDYAIFK-GOSISDBHSA-N 441.088 2.209 30 10 IEEE CCOC(=O)CN1C(C(=O)c2ccccc2)=C(OC(C)=O)c2ccccc2S1(=O)=O 21173517 YRRMRVNRKIULSV-UHFFFAOYSA-N 429.450 2.369 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC1 27901449 PTCCWZXVKDGGHQ-RUZDIDTESA-N 438.547 2.293 30 10 IEEE CC(C)N(C/C(N)=N/O)S(=O)(=O)c1cc(Br)ccc1Br 96737221 NIKHISMKOIHLHL-UHFFFAOYSA-N 429.134 2.357 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CCc2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 382611816 VXXOXWQYJXREIJ-UHFFFAOYSA-N 432.374 2.261 30 10 IEEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 446518586 BRIZYVVUSADOKJ-UHFFFAOYSA-N 427.935 2.463 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N[C@H](C#N)c1ccc(F)cc1 474912108 KHEUNPUQPPJZJO-HXUWFJFHSA-N 432.521 2.359 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 508867486 QDDLVFIXPRPBSN-MRXNPFEDSA-N 428.562 2.294 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 509003916 ZJKUTCCUSVHPTH-CABCVRRESA-N 431.459 2.179 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(C)(C#N)CC2)c1 509410421 IVQGBQRNYUVMIN-UHFFFAOYSA-N 448.589 2.320 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511965223 QTHQHOZPIVIBNE-GFCCVEGCSA-N 425.869 2.213 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 522109308 GRKSMIFKOKGTAR-AWEZNQCLSA-N 436.533 2.300 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CC(=O)N2C)cc1 522518451 RYVSRKABLPEMSL-ODGPQVTHSA-N 432.524 2.451 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cc(OC)cc(C)n2)c1=O 538495666 UZYFWSHACSMHHB-UHFFFAOYSA-N 449.532 2.426 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3Cc3cccs3)CC2)nc1 549866543 FBFKCBKRGIQDJC-SFHVURJKSA-N 437.529 2.069 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)n(Cc2ccccc2)c1C 551049107 XRYGCKXUMFXSPK-IBGZPJMESA-N 432.532 2.342 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416335 LEDVSXZZYOHDCW-UHFFFAOYSA-N 434.473 2.135 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc2ccccc2n1CC#N 729328043 GDPHRSNLUFEYAO-UHFFFAOYSA-N 439.516 2.316 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1F 731884741 DZWPOONHJAIZOM-GOSISDBHSA-N 431.489 2.168 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCN1C1CC1 732706470 KQSLKGWNVFHAPO-OAQYLSRUSA-N 443.507 2.027 30 10 IEEE C#CCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 733288030 ZSIZZULHSNIAMK-HXUWFJFHSA-N 440.481 2.105 30 10 IEEE C#CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CCS(=O)(=O)C1 735463198 FHVHJXCZVIOXAF-CQSZACIVSA-N 440.294 2.036 30 10 IEEE CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCN/C(O)=C1/N=CC=CC1=O 746099231 WSECFHLBPIZILQ-ZCXUNETKSA-N 425.272 2.307 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)c1 751642329 VQQYXLOIIQSNMR-KRWDZBQOSA-N 426.454 2.499 30 10 IEEE N#CC1CCC(COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 755964641 RJVSSEFHSFEXMX-DQPZFDDXSA-N 432.498 2.497 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCCO3)c2=O)cn1 758099706 LVADXDSTUFPBGU-GOSISDBHSA-N 442.585 2.204 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1C1CC1 772911254 RWEPPLMMCHAHSI-UHFFFAOYSA-N 430.599 2.175 30 10 IEEE C[C@@H]1COCC[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 774056727 YEQZXOYWTFTDQD-ATZDWAIDSA-N 433.530 2.181 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1 777896705 CUXCSRPVWXTPLB-HSZRJFAPSA-N 425.554 2.383 30 10 IEEE CCN(Cc1cn(C)nn1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 781825218 NGKYXQNPSBOSEQ-FCDQGJHFSA-N 447.565 2.462 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccccc2N2CCOC2=O)CC1 782779344 CKPGKQWAJHBZEL-UHFFFAOYSA-N 449.467 2.355 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2CC[C@H]2CCOC2)cn1 783006884 OYXSJAGKNNXGJT-GXTWGEPZSA-N 447.483 2.330 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(N4CCCCC4=O)cc3)CC2)c1C#N 788094243 OSWRXZNCTQSCCU-UHFFFAOYSA-N 435.532 2.149 30 10 IEEE CCN(C)c1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)cn1 789967183 DFDZSIZVBKXWHG-INIZCTEOSA-N 426.550 2.158 30 10 IEEE COCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cccc(C#N)n2)CC1 802463551 XJBJCFJYOFDUON-UHFFFAOYSA-N 433.516 2.117 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)OCCOC3(C#N)CCOCC3)C[C@H](C1)C2=O 809083233 IBYSMQYSZBSUPA-ALOPSCKCSA-N 436.505 2.081 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)cc1 810473795 HUMWYPGVFOCZJX-SFHVURJKSA-N 431.901 2.210 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856606679 SQXYVNYYMPIPTH-VQTJNVASSA-N 431.496 2.428 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 858069058 JULRJOVVFGURBK-IBGZPJMESA-N 440.525 2.444 30 10 IEEE CN(C)CCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1136724660 RDNUWMQLRKFYNS-UHFFFAOYSA-N 433.505 2.036 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(Cl)c(F)c3)c3nn[nH]n3)cc2C1=O 1138098652 WGNSJHIEFOGEMI-MRXNPFEDSA-N 440.822 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1141598187 RJJDHZYINNJKJV-QZTJIDSGSA-N 440.610 2.240 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@](C)(CO)[C@@](C)(CO)C2)n(-c2cccc(F)c2)c1C 1175292290 FFGKAFYRPZHMKA-ZRZAMGCNSA-N 428.508 2.356 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H](O)CC3(CCOCC3)C2)n(Cc2ccco2)c1C 1175642889 DPQYFQVOLZPBDS-GOSISDBHSA-N 426.517 2.420 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCN(CC)CC1 1286299327 CMXKGJWYOYGEBM-OAQYLSRUSA-N 448.619 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCN(C(C)=O)CC1 1286300553 BFQMYRGHWUWKBY-HXUWFJFHSA-N 438.576 2.096 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286357100 YHCZPJWGWXOTKM-KRWDZBQOSA-N 430.553 2.260 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1286370111 ZZEGAQJISSCION-CQSZACIVSA-N 428.443 2.169 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1286401937 WCZUHKSPVAMGTQ-SANMLTNESA-N 447.583 2.102 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)c2nc(C)cs2)CC1 1286470841 DKHIZHGVJCQVRE-AEFFLSMTSA-N 432.594 2.326 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2cnn(C)c2)CC1 1286478784 KUPMDVBAHBSPIP-UHFFFAOYSA-N 439.514 2.269 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CCC1 1286515407 YLPLWAMBLRLWIU-PRAQEBQASA-N 426.546 2.219 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286631879 AHKALRQZWGFRQL-GOSISDBHSA-N 443.983 2.149 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286675791 SYFIMQBQEFAPQU-HXUWFJFHSA-N 443.640 2.219 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1286681399 MWRFGKMNRFDXIY-AZUAARDMSA-N 436.560 2.427 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1286715212 WXVMSMQGDVAJSP-KRWDZBQOSA-N 443.577 2.361 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286790448 FFSHEKZQGMQDMK-UHFFFAOYSA-N 433.944 2.270 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](COC)C1 1286827529 ROEDRCYCFSCYNA-QGZVFWFLSA-N 432.546 2.487 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1287918850 FXHGKJHNJIXNHJ-JOCHJYFZSA-N 437.592 2.316 30 10 IEEE Cc1nnc(N2Cc3ccc(Br)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290751875 JTKYABSUGBIGKP-ISLYRVAYSA-N 443.305 2.396 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4nnc(O)o4)C3)C2)C1 1296864862 REBQRTAOXZMOCY-IVASOFTHSA-N 431.493 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCC[C@H](S(C)(=O)=O)C3)C2)C1 1297175391 GUSHMWRKHDLEIE-GWWPLSDWSA-N 439.578 2.199 30 10 IEEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1297378358 FOBSIJLESCZEBU-IBGZPJMESA-N 438.550 2.104 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1300361542 HGGIUFFXQJOCER-GOSISDBHSA-N 437.610 2.226 30 10 IEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1300494174 ZLANBUCZBHOVIP-OAHLLOKOSA-N 440.529 2.021 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C(C)C 1300602794 JMDVVYWQGNLVJB-OAQYLSRUSA-N 432.594 2.413 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2[C@@H]2C[C@H]2CF)CC1 1300728623 BURMBFQOLPFJRT-AZUAARDMSA-N 425.508 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1300863907 WGBYNQHZIRRQQE-OTWHNJEPSA-N 447.580 2.172 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1301229145 IBSDNFKPMIWBKU-UHFFFAOYSA-N 428.497 2.313 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1301251332 BPUIJHROIGVGPM-SFHVURJKSA-N 430.578 2.206 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C)C1 1301518541 ITKOTQIMDKCFOJ-IYBDPMFKSA-N 431.562 2.495 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1301527580 YVDSNPDPIGGBMJ-UYAOXDASSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC=C(C(F)(F)F)CC1 1301589203 PDCOQDXVLKKAQV-AWEZNQCLSA-N 434.484 2.472 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301594586 HFVQNWOTLMNCLI-UHFFFAOYSA-N 449.625 2.063 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 1301657264 WVZQPKHVBALVPX-UHFFFAOYSA-N 427.848 2.198 30 10 IEEE Cc1cc(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c(C)n1-c1ccc(C#N)cc1 1301925157 YMNTYPQMFACZRP-NRFANRHFSA-N 440.569 2.301 30 10 IEEE CC(C)(C)c1nccc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)n1 1302044779 SUUZMXQXVUJXBN-UHFFFAOYSA-N 444.543 2.473 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(Cl)c1 1302095088 CIZUCINSWUMZMT-MAUKXSAKSA-N 435.912 2.463 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)C1 1303933272 HZHAIOLJLNWFMQ-FXAWDEMLSA-N 435.594 2.396 30 10 IEEE CC(C)(C)NS(=O)(=O)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304253010 UKWJMOIBFKKMMH-HTQZYQBOSA-N 446.360 2.334 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](Nc1ncc(Br)cc1C#N)CCS2(=O)=O 1307227903 MRYHGRBZLPZTNS-ULKWEWGCSA-N 428.308 2.027 30 10 IEEE CCOc1ccc(N2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)nn1 1312944129 AEBPZFIBZFXFPO-UHFFFAOYSA-N 449.559 2.243 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1316192358 YUESUWFKXHMNHC-SIKLNZKXSA-N 448.612 2.367 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1316290624 NXUMUMWPDXINRV-QTDGGUCWSA-N 444.580 2.391 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nccs1)C1CC1 1316344577 BLPJAWWJDSRYDR-UHFFFAOYSA-N 428.543 2.335 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCC(O)CC2)C1 1316528204 UXAYCASQUCASCM-HXUWFJFHSA-N 433.919 2.282 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358964537 ATCXEENHPJTKAQ-LJQANCHMSA-N 447.630 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1358994599 RRBVLLTUHBLTLI-JOCHJYFZSA-N 449.555 2.364 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359053565 RANBDYXLPNSOPY-HOTGVXAUSA-N 431.587 2.441 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359058906 UMJZTXAFGJZWDZ-SFHVURJKSA-N 427.574 2.405 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1449064300 UQBBKRDHTRWQPD-UHFFFAOYSA-N 448.608 2.088 30 10 IEEE Cc1c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cnn1-c1ccc(F)cc1 1452801119 LBYBYKUEQNMBBD-UHFFFAOYSA-N 427.461 2.387 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)C1 1455707719 XZEKQILSTWWWFZ-FQEVSTJZSA-N 427.545 2.304 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1472145830 MTBRSDJQKCNRRK-IBGZPJMESA-N 449.573 2.347 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(OCCN(C)C)cc1 1492901184 GSWBIBOKVCZTAK-UHFFFAOYSA-N 446.559 2.169 30 10 IEEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1504467634 BOSGWYQYLZDCMH-CEXWTWQISA-N 429.546 2.255 30 10 IEEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1504808099 JOECXVDMZBWFKE-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE CS[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1505163579 BTFMINGPLDGHJT-ZUOKHONESA-N 427.509 2.385 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1507512649 FSTLHYVXPLRVNX-GOSISDBHSA-N 430.622 2.334 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)cc1N1CCOCC1 1507603240 UDCIFQHQPCUCFI-LJQANCHMSA-N 427.549 2.265 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2nnc(C)s2)n1 1507716024 FYEHQEHKRMSJGH-UHFFFAOYSA-N 426.550 2.237 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOc2ccc(OC)cc2)CC1 1507731543 LJCAVQMKRQMBBV-FQEVSTJZSA-N 439.560 2.405 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2cccc(C)c2)CC1 1507731999 AKVSJWXREYMJDE-UNMCSNQZSA-N 439.560 2.145 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCNC(C)=O 1507763709 BADGIZZDJVJHSE-HSZRJFAPSA-N 441.532 2.489 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507867424 NDLSLDNWJHWNRE-OXJNMPFZSA-N 443.983 2.005 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507884962 ONDUFPWYUVQPJI-HOTGVXAUSA-N 447.527 2.221 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1508006620 ILQCVMGKMGUORX-UHFFFAOYSA-N 439.545 2.271 30 10 IEEE CC(=O)N1CCC(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1508207103 MACVGPYCMCGEJV-YADHBBJMSA-N 448.543 2.019 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508463483 CRUDYMYOOFFSFX-IBGZPJMESA-N 449.559 2.180 30 10 IEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)s1 1513714266 DOLMBWWJERRCRE-UHFFFAOYSA-N 437.529 2.074 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1514144297 MKZKVANSDLSLAJ-ZJYNUGOYSA-N 439.545 2.198 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1516041468 HRRLGROTYQNHKO-UHFFFAOYSA-N 434.447 2.377 30 10 IEEE CO[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1517855618 UHIGVNZGXKEPFJ-RTBURBONSA-N 429.594 2.481 30 10 IEEE N#CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOCC(F)F)CC1 1521114716 JGOHFRSSAKFELC-UHFFFAOYSA-N 443.462 2.333 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1533478013 BAIZLZYSSQUAKO-HOTGVXAUSA-N 442.965 2.250 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1539210362 DHFFUKNXEJVROE-LJQANCHMSA-N 428.558 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539484122 CXIDPLSTWSKHBI-MRXNPFEDSA-N 444.580 2.110 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)COC)CC1 1539489786 XQZZRZKPRQOZLG-LJQANCHMSA-N 439.560 2.414 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(CC(=O)NC)CC1 1539580401 XYMMOVPAZAGUIW-AWEZNQCLSA-N 444.374 2.263 30 10 IEEE COc1ccc(F)c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1539889660 FVFYBBRRLVALBU-UHFFFAOYSA-N 431.489 2.423 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539984994 CNMFZDFECLUTCX-AEFFLSMTSA-N 429.546 2.030 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CC1 1540901955 VZZXBWCNTMRERC-UHFFFAOYSA-N 428.518 2.041 30 10 IEEE CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)c1cccnc1 1541905878 ASUJVLCWZAPLJO-RYRKJORJSA-N 433.582 2.461 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1545928585 DZARGPGRJIXZBW-LJQANCHMSA-N 442.568 2.135 30 10 IEEE CCCC(O)(CCC)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1546927470 MAYDZHWEQQQBGL-PGRDOPGGSA-N 435.569 2.379 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1 1565828497 ULTZTWYMLBEXCW-UHFFFAOYSA-N 427.427 2.290 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1568154677 OLVYVNVRJGBCNL-OAHLLOKOSA-N 437.493 2.263 30 10 IEEE C[C@]1(C#N)CN(C(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)CCO1 1585425915 APCSYQLISZLLEY-QFIPXVFZSA-N 439.541 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1587631746 FQGZICLDXWXWHQ-JTHBVZDNSA-N 436.604 2.448 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588045518 MDAHLNSRGYUUHL-OTWHNJEPSA-N 443.573 2.172 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)CC1CC1 1588171004 QOSQDOHXFKLIOE-RTBURBONSA-N 432.590 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)NCCC)CC1 1588914168 YVMVSCAJEGDTOF-UHFFFAOYSA-N 436.560 2.136 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCn1cc(CO)nn1 1589223309 IJBAGJLPGSMADA-HSZRJFAPSA-N 435.532 2.044 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(=O)OCC)Cc3cc(F)ccc32)cc1 1593820892 UPWDNGHXFADEAY-QGZVFWFLSA-N 444.484 2.119 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1594692716 DMDASLSMJNGILF-KRWDZBQOSA-N 429.546 2.126 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1594788983 WLRIZTIBSHDUPR-SFHVURJKSA-N 449.533 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595543990 DLUMQWLAHWKMSX-IBGZPJMESA-N 444.580 2.051 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)[C@H]1C 1613035047 NGDLOTWQWLCXDU-HOTGVXAUSA-N 449.602 2.208 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1613237480 DKYVPAYIZVJAQD-MGPUTAFESA-N 431.516 2.488 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)N(C)C)c2ccccc2c1=O 1615897832 DABFHIOYMOPMQQ-QRQCRPRQSA-N 438.511 2.067 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(CS(C)(=O)=O)CC1 1616981233 RQZLIZPXLQFNIQ-MOPGFXCFSA-N 443.573 2.383 30 10 IEEE Cn1nnnc1SCCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132716 WTJGJICTYBWIOS-RNFRBKRXSA-N 439.332 2.322 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccncc2)C2(CO)CCC2)CC1 1620452373 GQBNSIRPLFDNCH-DENIHFKCSA-N 439.585 2.345 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 1628663003 VJEHFBAYVYQMDE-IBGZPJMESA-N 444.509 2.075 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1F 1635415774 PZYHHXQZUNMZTM-MRXNPFEDSA-N 444.488 2.172 30 10 IEEE COC(=O)[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC12CN(C(=O)OC(C)(C)C)C2 1635919281 LLWNNNPKUNJUIG-GOSISDBHSA-N 442.516 2.106 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 1636889089 MRTWPZNILLYQII-HKBQPEDESA-N 445.541 2.354 30 10 IEEE CC1(C)OB(C2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)OC1(C)C 1637062562 ZTZZPEPCXMYJRE-KRWDZBQOSA-N 444.341 2.262 30 10 IEEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1OC 1642542694 BDTXMOPGNHURGY-XMMPIXPASA-N 436.512 2.336 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC3(C#N)CCCCC3)CS(=O)(=O)[C@H]2C1 1645582570 YYALSVXBYLEZJE-BBWFWOEESA-N 439.578 2.247 30 10 IEEE C=CCNc1ncc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 1648312887 NBHPYQUXPCPOBR-HNNXBMFYSA-N 449.577 2.425 30 10 IEEE N#Cc1ccc(Cc2cnc(NC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)s2)cc1 1667655334 DVDZCFJUAOTDPB-UHFFFAOYSA-N 431.543 2.247 30 10 IEEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)NCc1ccc(C#N)c(F)c1 1670369803 CJUQBFWGXRYGAD-UHFFFAOYSA-N 432.477 2.262 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1682405612 AXYKLQMXCLCBQO-UHFFFAOYSA-N 444.576 2.194 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2cc(Br)ccc2OC)C1 1684082512 CRIHVZKXCLTUAP-CRAIPNDOSA-N 438.366 2.006 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1689984586 RCLXBTUULKAOIH-PKOBYXMFSA-N 441.582 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)COCCO1 1690031330 HEYGHCJIOZAEHA-XMMPIXPASA-N 435.528 2.416 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690308261 HRKPZNOQUUFASL-JOCHJYFZSA-N 425.537 2.362 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690319217 GOBJJQSMXIMCFC-ICSRJNTNSA-N 436.516 2.036 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1690484846 FTGBBPLTCFHQAB-OAHLLOKOSA-N 433.525 2.059 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1)C1CC1 1690545187 LNFRZVYNTWVWMP-INIZCTEOSA-N 429.546 2.364 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(C)CN(C)C2=O)C1 1690687701 HRKNCBOSNLFKAT-SBUREZEXSA-N 441.532 2.222 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690741988 CPGJHJRRKMVJEX-LSDHHAIUSA-N 436.582 2.252 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1691264215 QYQISOVYQVUJRD-MRXNPFEDSA-N 431.541 2.274 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1696513086 UWXTTZIXMGNIAA-RQZFFVEVSA-N 442.589 2.326 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1698201312 PFDDMWPTBYOVST-UHFFFAOYSA-N 436.520 2.130 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(CC(C)C)CCO1 1705500660 ROXMLBFGCQHCLJ-ROUUACIJSA-N 444.605 2.084 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1705558827 JJRNPMVKVGDUJG-SFHVURJKSA-N 449.621 2.404 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1705561526 URKBZMPTUBRTJE-IBGZPJMESA-N 430.574 2.397 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN(C)C(=O)OC(C)(C)C 1705571670 FIHIUXXMVVMEQT-UHFFFAOYSA-N 430.553 2.136 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705693446 GRJAPFMMHCFRHQ-BDXSIMOUSA-N 442.568 2.305 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1705697143 KLCQEHVQHMIRJX-UXPWSPDFSA-N 445.589 2.432 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1705750110 RWKUIVUKVDTJRA-HNNXBMFYSA-N 425.942 2.173 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@H]1C 1705855970 AZWMZDHMULAACY-GAJHUEQPSA-N 443.548 2.157 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705900126 QWHFYBAWGVRRCO-KRWDZBQOSA-N 439.564 2.050 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(c2ccccc2)CC1 1705904842 ACROVRPYNRKSCG-UHFFFAOYSA-N 432.528 2.054 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C1 1705929827 YODGPLKERYZHHJ-KRWDZBQOSA-N 440.953 2.336 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1711301829 YJANQFKXXCBPON-WMZOPIPTSA-N 432.532 2.094 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2OCCC2(C)C)cc1 1711885509 UQDBBXXSVZNODV-RTBURBONSA-N 427.505 2.410 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1712168459 DISZKDWOLVGXGH-RBUKOAKNSA-N 426.496 2.392 30 10 IEEE CS(=O)(=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1712685353 CYAYLPIOFQORCE-SFHVURJKSA-N 439.463 2.166 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCSCC2)C1 1712875908 SPTBCPJFTIDXHV-IBGZPJMESA-N 431.497 2.344 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1722293157 KYNRRQDCXUMQDH-MRXNPFEDSA-N 430.516 2.016 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359809 BKEUJFLPVJNXMY-IBGZPJMESA-N 444.605 2.164 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 1722431849 SUPQSCZUIDXVJY-JTSKRJEESA-N 445.564 2.180 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 1722452345 FFLIHLUWVCXCEX-UHFFFAOYSA-N 440.617 2.413 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1722529904 HKDZXKPMCUQBTL-UHFFFAOYSA-N 445.520 2.443 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1722542445 BCPLTDDCMVJDAR-AWEZNQCLSA-N 442.948 2.107 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1722630036 UAGPQMUDZNCMOP-VQIMIIECSA-N 428.489 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1722695167 VTMXTJGHSHPZMU-UHFFFAOYSA-N 448.556 2.211 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCSCC1 1722729814 XWXQMTZMTIAROO-UHFFFAOYSA-N 428.530 2.301 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1722865469 HNCQVNVLBKTWFR-MRXNPFEDSA-N 441.561 2.417 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC[C@H]1CCOC1 1723613877 CKRKILIAYDWOKY-SFHVURJKSA-N 437.548 2.041 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1723983108 JBBJIBMHDIRBPN-UQASEVPWSA-N 431.468 2.091 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1724279706 FYGQKRHJWPSZDM-UWJYYQICSA-N 429.546 2.071 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)N1CCC(C)CC1 1727602654 FRZFBIYIVMDJRS-GOSISDBHSA-N 439.612 2.201 30 10 IEEE CC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1727834259 ZMMSDPJADMOUPV-QBEKEKFNSA-N 428.537 2.152 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CC1(C)COC1 1730759613 DFJMMTPVBYGHIW-UHFFFAOYSA-N 437.342 2.449 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1nc(C)no1 1740615310 AFHUBISVJJJYTC-IYBDPMFKSA-N 429.525 2.442 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1740615376 CLGQXAKNXFODQX-GOSISDBHSA-N 435.594 2.180 30 10 IEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740621699 OENHQOJYPPJIPA-QGZVFWFLSA-N 441.557 2.100 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740626072 VPXRZOPBTRQKES-NHCUHLMSSA-N 442.585 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CCCO1 1740643083 FRMXNEXSCCIEBB-AREMUKBSSA-N 446.599 2.285 30 10 IEEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1740892867 OULLVYNGSCPTKN-UHFFFAOYSA-N 441.557 2.364 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1740923916 ZBUVZLNKMXSYQH-MRXNPFEDSA-N 439.607 2.318 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1741247511 LDTMKXKORMFUKO-CAOSSQGBSA-N 425.480 2.350 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1748715233 OMCSDXIDWFROFH-OALUTQOASA-N 437.610 2.431 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCCC)c1 1748785158 MLERMADTARGPDW-UHFFFAOYSA-N 434.500 2.263 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1748831121 HICCVRLQYJWNOI-TZIWHRDSSA-N 438.553 2.403 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1748831336 LIQYOFRFLHMKCE-JLTOFOAXSA-N 447.308 2.459 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)OC(C)(C)C)CC1 1748983811 FETJWFPYTBLFKP-UHFFFAOYSA-N 425.537 2.010 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1749054331 RUCFQMSQIIXIHG-VWKPWSFCSA-N 449.552 2.487 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749209491 ZSXKILWSYKVBQJ-NJAFHUGGSA-N 431.541 2.153 30 10 IEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749232597 QGFFCGJHZHKNAL-IBGZPJMESA-N 445.589 2.351 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2C[C@H](F)C2)CC1 1749342983 UPHOLJCPVSMZJP-BZSNNMDCSA-N 441.573 2.152 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749398616 MFCINPXHVOZIAV-GOSISDBHSA-N 438.532 2.254 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)NC)CC2)cc1 1749687408 RDKNEKYRBFRYPO-LJQANCHMSA-N 426.521 2.204 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1751261402 OQOCPHKDAAAPRY-FZDIXFNVSA-N 447.923 2.340 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CC2(C(N)=O)CCOCC2)cs1 1751770445 GLIGBRDGLYDAIL-UHFFFAOYSA-N 443.577 2.046 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCCOCC(F)F)CC2)c1C#N 1751827742 JVWQJGZQRYZTGX-UHFFFAOYSA-N 434.495 2.068 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(CC)CC)N1CCOCC1 1760171127 VWTYLAGHRHSABQ-IBGZPJMESA-N 442.564 2.212 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F 1760195795 KLEJGXILQMYZII-UHFFFAOYSA-N 436.260 2.162 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN(CC)C(=O)OC(C)(C)C 1760196607 PNUYCHAFZUKYOC-HSZRJFAPSA-N 445.564 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1760204054 AXZBQYPIPBWBHR-UHFFFAOYSA-N 440.551 2.217 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCO[C@H](C)C1 1760205420 AXRZSCXGDUYIFS-OFNKIYASSA-N 449.555 2.364 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760517749 WTWNQRIYZFXZLM-SFHVURJKSA-N 440.504 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1C(=O)Nc1ccc(C)c(C)c1 1760558435 ORSJRGCUYBMNEE-UHFFFAOYSA-N 443.533 2.225 30 10 IEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1762149044 BOCPBMAYFKFTJX-KRWDZBQOSA-N 431.500 2.147 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1764172220 YMEMRQXASGXZKR-LJQANCHMSA-N 447.547 2.126 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)[C@H]1c1cccc(F)c1 1850411312 ISOOKMXDPWKZTB-IFMALSPDSA-N 440.519 2.346 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)Cn1ccc2cccnc21 1851296586 AKZRLBKEYJXTSY-UHFFFAOYSA-N 430.921 2.383 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cc(C)cc(C)c4)n3[nH]2)CC1=O 1852237210 KJBHPMBOEAHIKV-DLBZAZTESA-N 434.500 2.276 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCN(c3nccn4nc5c(c34)CCCC5)CC1)OCO2 1852830579 QQYMZNJXYJGWNJ-UHFFFAOYSA-N 444.495 2.100 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)[C@H]3CCCCO3)c3ccccc32)cc1 1854478652 IKBPXQCQZGODHO-LJQANCHMSA-N 425.466 2.196 30 10 IEEE CC1(C)C(=O)N(C(=O)[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854516146 JXVLPWSXLOXGBR-AWEZNQCLSA-N 425.457 2.132 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)c(F)c2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644358 GHOUQGVLNBMZDM-LLVKDONJSA-N 437.399 2.037 30 10 IEEE CN(C)Cc1ccc(CCC(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1 1854912267 LSVGQRXVCPUQDK-HXUWFJFHSA-N 443.525 2.100 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1=O 1857151678 BDCLYJUTCJPMCD-QGZVFWFLSA-N 445.310 2.217 30 10 IEEE Cn1c([C@H](C#N)C(=O)CN2CCN(c3nc(O)c4ccccc4n3)CC2)nc2ccccc21 1859428321 VGWKQCSDQACVKE-QGZVFWFLSA-N 441.495 2.221 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCCO2 1862608134 HMOYYGHIPRTNKR-IBGZPJMESA-N 439.420 2.117 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CNC(=O)c3ccccc3)sc2c1 1865989680 BSEWNIKCASJEPQ-UHFFFAOYSA-N 430.511 2.129 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1cccc(OC)c1 1870983353 SCPQHZXMXHCNJX-HXUWFJFHSA-N 427.501 2.329 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccn1C 1874274713 OMLRYQFYBHURIK-GIEPYWIESA-N 445.593 2.232 30 10 IEEE CCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)cc1OCC 1874434318 ZBBQZCUCPRHCCB-SSDVNMTOSA-N 449.533 2.249 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)COc3cccc4ccccc34)CC2)CC1 1890157388 DWEUOABAMXRQSV-UHFFFAOYSA-N 435.568 2.477 30 10 IEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1964924052 NCJIFCZXTFZYQB-IBGZPJMESA-N 438.532 2.295 30 10 IEEE C=CCN(CCC(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985017309 KZCSZGBHEPGHMT-HOTGVXAUSA-N 427.542 2.286 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1991987931 OYRLQQQUAFUGLX-LSDHHAIUSA-N 425.526 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2060625448 KGLUQRITMRBYAB-HNNXBMFYSA-N 432.330 2.408 30 10 IEEE C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247835718 PHTMRCWVDDPNMF-OLZOCXBDSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247906462 NQZDDAJRSDDONG-OLZOCXBDSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248397731 NLMDJGAFKWEEIS-CYBMUJFWSA-N 443.350 2.311 30 10 IEEE C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248441334 LIBVARMLJIWJLN-YPMHNXCESA-N 443.350 2.310 30 10 IEEE C[C@H](Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2254795927 NLNLHVZUCDBGAJ-ZDUSSCGKSA-N 437.321 2.302 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2255698384 HYEIRXRBXSPWCR-INIZCTEOSA-N 433.358 2.454 30 10 IEEE Cc1cnc(C(=O)NOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255862741 SWDKGMHXQNGTGX-UHFFFAOYSA-N 435.330 2.265 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CNc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2256006165 WGZNLNPRYBWCJB-AWEZNQCLSA-N 437.302 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256619946 CGZTXVWFTJULAP-HOCLYGCPSA-N 433.314 2.002 30 10 IEEE Cc1nc(NC(=O)[C@@H](CCF)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256624542 WWNXSXNTLZVBQA-CQSZACIVSA-N 438.309 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256670630 HCFPWKCQFZUXDH-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267098418 ZDFVJNVKLRABBT-LSDHHAIUSA-N 446.357 2.275 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267163169 UUJRFLNGPSITMA-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267226437 ZGFMMJBRIVMSGS-JQHSSLGASA-N 443.353 2.366 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c2F)OC1(C)C 2267407083 NKSRMYZYXOAMHC-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@@H]2C1 2267500428 ITPUQLJJRQHMHY-ZIAGYGMSSA-N 447.316 2.115 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268653080 KLAOHLKUKLSWQD-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278789945 PYSMOUPZEUFIHC-YJBOKZPZSA-N 444.347 2.244 30 10 IEEE C[C@H](C#CC(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302415668 SGZYBGPHESPVJK-ZHRRBRCNSA-N 439.553 2.123 30 10 IEEE Cc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328071931 WICIKCZUGGKDLA-WIYYLYMNSA-N 431.492 2.110 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)C=Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 2328155906 IUIKWRRXYZQMEE-LPTQZCDUSA-N 449.482 2.187 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1ccc(C(=O)OC)cc1 2331236557 FSLNIDQGGVQMRG-UHFFFAOYSA-N 433.534 2.096 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337290277 SACJSRJIRFYIJB-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1nc(Br)nn1CCOC 2353694484 ZYTCRMKHIVQJTD-STQMWFEESA-N 430.347 2.254 30 10 IEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1 96579133 QMWKRSPAMNCOIE-CYBMUJFWSA-N 431.470 2.494 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 102556797 PKDICXNFWSMQGB-LAFOYAEKSA-N 442.424 2.034 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1Cl 428949053 XTFBPPXJORWBDG-UHFFFAOYSA-N 433.921 2.042 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1S[C@@H](C)CC#N 441221759 ALLGWILVBOKOFZ-XFUZISPGSA-N 445.541 2.444 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C#N 461202040 ZRPOBQLLIGHELF-CQSZACIVSA-N 447.586 2.026 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1 465907938 JSFJDGKJQKLIJX-NRFANRHFSA-N 435.528 2.134 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 473572615 VHEAMSZJTBUVOO-IBGZPJMESA-N 449.964 2.377 30 10 IEEE CN(CCC#N)C(=O)CCS(=O)(=O)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 479020837 LFSXMSIKHPXBEL-UHFFFAOYSA-N 430.408 2.432 30 10 IEEE N#CC1(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CCN(Cc2ccccc2)CC1 479250965 VADWZSIJEJFMET-UHFFFAOYSA-N 431.496 2.027 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2C1=O 480065857 KJHKDXZCVVTGJF-FQEVSTJZSA-N 431.448 2.464 30 10 IEEE CS(=O)(=O)Nc1cccc(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 482584616 ZNLRDWGPALADNS-UHFFFAOYSA-N 426.542 2.275 30 10 IEEE Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1S(C)(=O)=O 486966470 LMZQPOKAVILCHA-SFHVURJKSA-N 426.498 2.193 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)c1 488124912 RIFVGPHDOBEDEJ-SFHVURJKSA-N 449.529 2.444 30 10 IEEE CCCN(CCC)[C@H](C)C(=O)N1CCOC[C@]2(CC[C@@H](CN=c3ccc(C#N)c[nH]3)O2)C1 503716944 OAEXMUPOACDYMM-IZIIKQMZSA-N 443.592 2.074 30 10 IEEE Cc1cccc(O[C@H](C)C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513785157 HAOCWTLWAHRKSR-LJQANCHMSA-N 441.553 2.252 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(F)c3)c2=O)CC1 523652796 SPCWBHCIAHTNTM-UHFFFAOYSA-N 425.529 2.188 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)NCCOc3ccc(C#N)cc3)C2=O)c(OC)c1 553601331 CGVYHXVGQXFKCC-HXUWFJFHSA-N 438.484 2.055 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 555264113 NBCVYVRYWRKATG-KRWDZBQOSA-N 442.568 2.170 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 570877631 BOXPDFZYGKVRGU-LJQANCHMSA-N 446.490 2.197 30 10 IEEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1 572416402 QXSLPXINSOUULT-UHFFFAOYSA-N 427.404 2.051 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1nnnn1C 580964599 BSZBHGWZAZIFSW-UHFFFAOYSA-N 433.314 2.452 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)cc1 604002781 ZHEOXANEJYCFRF-UHFFFAOYSA-N 440.528 2.205 30 10 IEEE COC(=O)c1cc(I)cc(NC(=O)NC2CCN(CC#N)CC2)c1 611170000 JWZGCFPUJNGGGZ-UHFFFAOYSA-N 442.257 2.187 30 10 IEEE CSc1nc(O)c(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1C#N 611668739 TWFBNITUSNTUHJ-OAHLLOKOSA-N 432.527 2.427 30 10 IEEE CCCCCCCCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(=N)O)[C@]1(OC)[C@@H]3N[C@H]3CN21 725391358 GEMIIFLGMHAMLT-FKZZILRFSA-N 447.532 2.181 30 10 IEEE COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 730138993 PCSPVEXEFBORJL-KBXCAEBGSA-N 438.569 2.416 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 751336398 HWFBSCWDFWKQIA-ZDUSSCGKSA-N 444.351 2.092 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2F)CC1 756891512 NJADMWLLTKSCOW-IEBWSBKVSA-N 445.539 2.456 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cc1 758224656 FOVIFMFZPLFKQP-DQXCIKIGSA-N 435.550 2.055 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@H](CNC(C)=O)C2)c1=S 764992247 FITQAIJSGHSLOW-LJQANCHMSA-N 431.562 2.282 30 10 IEEE C[C@H](/N=C1/S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1)c1cccs1 765547193 JWQFACMCALEACJ-BWVBPVRTSA-N 448.618 2.111 30 10 IEEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 774167326 SHXRPGXSHWFNBB-KNKQGSTJSA-N 431.602 2.496 30 10 IEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1 777365698 RYTACCMLHCTVGD-UHFFFAOYSA-N 443.566 2.323 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1 781936085 ZVXVHVJIEZFTFB-UHFFFAOYSA-N 436.512 2.495 30 10 IEEE C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 781994742 UJHDBMWBJGYYFF-HXUWFJFHSA-N 441.509 2.070 30 10 IEEE CCN(C(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl)C(C)C 787492769 HXVZDJOEDKNWEM-KRWDZBQOSA-N 445.951 2.348 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360097 CUAIRLVNFVCXHF-UHFFFAOYSA-N 442.544 2.381 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@@H]1CCCO1 799934218 QNOGJGCFYHFAGM-ZBFHGGJFSA-N 444.528 2.355 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 803521578 LAVVBSSNHNAUNN-OAQYLSRUSA-N 426.538 2.380 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 804458583 FRGHRMSIRSRZHM-ZVDOUQERSA-N 446.956 2.215 30 10 IEEE CC[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F)OC 809941871 LHQFYPFXBDGHAB-WMLDXEAASA-N 442.532 2.389 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(C)(F)F 814707604 YLCKIHIOMMLMDC-OAHLLOKOSA-N 428.505 2.350 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1125052596 GTAYWRPSGZSBON-UHFFFAOYSA-N 438.528 2.266 30 10 IEEE Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)nn1-c1cccc(C#N)c1 1131119910 CLEFINCPMGHDBM-GDBMZVCRSA-N 426.420 2.100 30 10 IEEE COc1ccc(-c2nc(C)sc2CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134278780 JUUKRCROPFBRLS-YWZLYKJASA-N 431.539 2.066 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cc21 1156253119 AVOKLDJUQMXIQZ-SFHVURJKSA-N 433.516 2.287 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)c1C 1158215410 GFJOIRJZCPSVHP-UHFFFAOYSA-N 432.571 2.299 30 10 IEEE Cc1c(NC(=O)[C@H](C)SCC(=O)N(C2CC2)[C@H](C)C#N)c(=O)n(-c2ccccc2)n1C 1165650185 GLZFAKJXUKTVAP-ZBFHGGJFSA-N 441.557 2.448 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 1174931693 URLFATSKYBCVFY-UHFFFAOYSA-N 427.482 2.208 30 10 IEEE COCc1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(C(=O)OC)c1 1205550169 DLFQVJBLBXAFOW-FQEVSTJZSA-N 436.468 2.414 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC1)C2 1254481944 OZCTVTLPYCCWLV-MRXNPFEDSA-N 425.470 2.163 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286391251 DEVYZYOPFNKXFP-UXHICEINSA-N 428.558 2.156 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1286549131 DOCSHZXSTAZIED-PKOBYXMFSA-N 432.546 2.170 30 10 IEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1286711382 KRFQJUKGURCPNB-LJQANCHMSA-N 449.577 2.280 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1286749230 NOBJYBXBDGVEND-MRXNPFEDSA-N 449.602 2.451 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1286789074 ONFJWVNLZUOFAC-OAQYLSRUSA-N 432.528 2.452 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCCO1 1291279890 WVJHZFHAXJMFDK-VQIMIIECSA-N 438.532 2.259 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1COCCO1 1291605951 MUXCLDBLGSJDSX-IEBWSBKVSA-N 425.537 2.190 30 10 IEEE CCCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1294426929 HXGLUDSYVBQLSA-VZCXRCSSSA-N 440.504 2.335 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1295058735 ZJOCHWHCQQGGPY-LJQANCHMSA-N 437.548 2.036 30 10 IEEE CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C[C@H]1C 1296165400 IUWGSKIKMPMOGR-OAHLLOKOSA-N 439.545 2.313 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CC1 1299108238 BVGRDMGAQBWHAR-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300302668 DKWCEJHNIJWHQF-CADBVGFASA-N 429.544 2.324 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300380627 DFNUYYBGDSBVHS-DLBZAZTESA-N 443.891 2.389 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCCOC)CC1 1300892396 RQWFXCXLPWNZHF-FPOVZHCZSA-N 431.581 2.191 30 10 IEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300996319 CXLGZAOOOWIIIR-LJQANCHMSA-N 443.573 2.497 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301535236 JLBQOIWTGGNSRB-TZIWHRDSSA-N 441.532 2.084 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1304236743 MBHULSMCYDPDSQ-QFIPXVFZSA-N 425.512 2.379 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CC(F)(F)F 1305123692 XLSXDIVCCZTDGT-ZIAGYGMSSA-N 436.442 2.111 30 10 IEEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)nc1 1309831764 AMISALRPTMHAQJ-UHFFFAOYSA-N 428.514 2.028 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313953127 BMRXSPNLBYAVTJ-DENIHFKCSA-N 433.576 2.032 30 10 IEEE COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@](C)(C#N)C1 1316042335 JVAYSBSWECEPIZ-FQEVSTJZSA-N 431.566 2.405 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(Br)n(C)n2)c1 1350733395 DJTGHGAQGKEUAF-HMMYKYKNSA-N 440.323 2.248 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1358884120 JAHGEQQMAWOCHX-MOPGFXCFSA-N 447.543 2.084 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1358914929 MDSMMEYNJLRZOC-UHFFFAOYSA-N 428.606 2.381 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1358963086 BLYWBPKFUYOALB-LEWJYISDSA-N 444.601 2.361 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(F)cn2)CC1 1359036996 QIEXFFGAIPAVBQ-UHFFFAOYSA-N 426.446 2.485 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCO[C@H]2CCCC[C@H]2C)CC1 1359040497 XCGMYNPYYBPWRZ-MLNNCEHLSA-N 445.608 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2C[C@H]2C)CC1 1359047660 OMZNFPWQJODBAW-MJGOQNOKSA-N 437.544 2.488 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359058447 DKXXEIBFNMEPOD-SVMVAKDDSA-N 427.574 2.403 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1359214457 DNXFHONJZDQPHQ-KRWDZBQOSA-N 440.552 2.465 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC(C)CC2)C1 1359313174 HXAOUOOVYWCOJS-OFNKIYASSA-N 433.597 2.443 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1cn(C2COC2)nn1 1359930109 XFGDSWZPIHFHML-KRWDZBQOSA-N 428.541 2.149 30 10 IEEE C#CCN(C(=O)Cn1ccc(C(=O)OC)n1)[C@@H]1CCOc2ccc(Br)cc21 1360310188 BSEUSLUWZWTTEN-MRXNPFEDSA-N 432.274 2.418 30 10 IEEE CC(C)OCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1360390077 DKFJWHNSTOBMJO-LJQANCHMSA-N 425.537 2.190 30 10 IEEE Cn1cnn(-c2ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cc2)c1=O 1435693643 FQELQBCJOYUGIQ-KRWDZBQOSA-N 428.493 2.487 30 10 IEEE C#CCC1(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CCC1 1439555257 MKQGNGLZGFSGEF-UHFFFAOYSA-N 441.347 2.146 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C1CSC1 1453159129 ILNSUUJAGCWQOX-UHFFFAOYSA-N 432.523 2.392 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2COc3cccc(Br)c3C2)cc1 1455113357 YOAXKAXSBYROAI-OAHLLOKOSA-N 449.326 2.355 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1461738944 WCEXAVSWIIVKCK-FQEVSTJZSA-N 436.534 2.008 30 10 IEEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1465076871 SPKLGYASOCOYBK-AEFFLSMTSA-N 433.530 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN(c4ccsc4C#N)CC3)OC2=O)C1 1473641037 LSTSTIRJOLZTSG-HNNXBMFYSA-N 432.546 2.294 30 10 IEEE CCN(CC)C(=O)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1501763075 FJIANYLINKRITI-NRFANRHFSA-N 430.532 2.230 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1nc2cc(OC)ccc2n1C 1507707895 AHVLHFCOUXAQFC-UHFFFAOYSA-N 433.516 2.313 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC1(N2CCOCC2)CCCCC1 1507708056 CAHLDNFUUNLMDF-UHFFFAOYSA-N 426.565 2.394 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOCC2(CCC2)C1 1508095698 ZMBZMWNAOAMEFA-UHFFFAOYSA-N 441.532 2.175 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1515313652 HXFTXCZAFGGLQA-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC(F)(F)CO1 1516601476 HJEBEJYYUIPQPV-LJQANCHMSA-N 446.502 2.433 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)C1=O 1519602407 DAVBOTAPWSATTH-YDHSSHFGSA-N 429.517 2.048 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(Br)s2)c1 1535252467 CJUQDRJXHLVRQB-UHFFFAOYSA-N 434.315 2.393 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1539002126 QHZVPSWCQMAKNC-GOSISDBHSA-N 433.560 2.394 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCSC1 1539315353 JOGYYNNEPBSJBE-QGZVFWFLSA-N 432.553 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1539331650 VEHXSDHDTXNECN-UHFFFAOYSA-N 440.569 2.112 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)C1CC1 1539383839 MEHMPOSAFNGZEY-QHCPKHFHSA-N 425.508 2.454 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCn2c(O)nc3ccccc32)CC1 1539481530 APNAPRQGWKTOGU-UHFFFAOYSA-N 449.559 2.198 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539592281 AOTTXMGKQMOFJO-SFHVURJKSA-N 447.341 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1C1CCC1 1540897961 WPFUQLQGIHRADX-QGZVFWFLSA-N 444.561 2.295 30 10 IEEE COc1ccc(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)cc1 1548368093 SAHQAKRNYBSHBE-LJQANCHMSA-N 446.429 2.331 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)SC 1555752278 CDCAALFXQZJHDH-SZMVWBNQSA-N 434.610 2.320 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1555784860 HGMJKKLSRSDXCO-FQEVSTJZSA-N 440.548 2.065 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CCCN1C(=O)OC(C)(C)C 1583400600 TUEFMCZUJQHPLI-CYFREDJKSA-N 440.544 2.482 30 10 IEEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](CC(F)(F)F)O1 1585359165 UAIDFISAKHHKOE-OLZOCXBDSA-N 433.452 2.074 30 10 IEEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1585566633 FWYDSMINXOGNBV-KGLIPLIRSA-N 444.948 2.388 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1588028994 BQLLFCWYQNLEAT-QGZVFWFLSA-N 446.573 2.268 30 10 IEEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1594787889 BYKSMINLWWNGHR-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N(C)C 1595127204 IVKVCBZKFVDXKX-UHFFFAOYSA-N 432.525 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ncc(Cl)n1C 1595523510 WXJQFXCHEFIXTR-UHFFFAOYSA-N 429.912 2.279 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 1596382472 LUCPCJHWPWDKKE-GGAORHGYSA-N 440.565 2.096 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 1617534005 OMCHFKIRAYTKQV-UHFFFAOYSA-N 427.486 2.327 30 10 IEEE CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1618946434 HPRKYNFADLAWGK-QGZVFWFLSA-N 438.532 2.355 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCC(F)F)CCO1 1620355727 XSLYMQSFSJDROU-OAHLLOKOSA-N 429.431 2.346 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(Cc4ccc(O)cc4)CC3)CC2)cc1 1629484565 AVXOMDWXVDKORK-UHFFFAOYSA-N 425.510 2.120 30 10 IEEE Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc21 1632533426 XBHADYUWZVOXTO-YPMHNXCESA-N 438.410 2.476 30 10 IEEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCN1CC(C)(C)O 1634203940 AMTSXMNPZLIBHI-GRJHGRLYSA-N 434.581 2.077 30 10 IEEE COc1ccc(C(=O)NCC#C[C@@H]2CCCCO2)cc1S(=O)(=O)Cc1cc(C)no1 1637186808 YZWPJMWFPOSHPN-KRWDZBQOSA-N 432.498 2.268 30 10 IEEE CCOC(=O)c1ccc(NCCNC(=O)COc2cccc(Br)c2C#N)nc1 1640561530 PKKDEAQQBVWRNA-UHFFFAOYSA-N 447.289 2.500 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1641843176 MJJVVWHJNAXMOX-QGZVFWFLSA-N 430.482 2.027 30 10 IEEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)C2(c3ccc(C#N)cc3)CCCC2)cn1 1645245391 VLLZNDITNVYUGT-HXUWFJFHSA-N 426.542 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(Cc4cncc(C#N)c4)CC[C@H]32)CC1 1646178344 NOVIUOZKKBVFHJ-VQTJNVASSA-N 440.548 2.321 30 10 IEEE CN(c1ccc(OCC(=O)NCC2(C#N)CCOCC2)cc1)S(=O)(=O)c1cccs1 1653633971 BUXBPOPPHYQTCG-UHFFFAOYSA-N 449.554 2.389 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)OC 1656406224 UBYCTUFLFVRHQI-JTQLQIEISA-N 425.232 2.283 30 10 IEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1=O 1668857880 JIRHFROOUSTFLC-HSALFYBXSA-N 449.573 2.130 30 10 IEEE C=CCC1(O)CCN(C(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1676429017 LEQHOLFTMNHTKK-MRXNPFEDSA-N 431.537 2.387 30 10 IEEE CS(C)(=O)=NC(=O)CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1684406791 XQJLWONRGRDFLM-KNVOCYPGSA-N 445.332 2.053 30 10 IEEE COC[C@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCOC1 1685320342 UVVJQAQUJVOGSP-RDJZCZTQSA-N 429.477 2.079 30 10 IEEE COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1686083763 DUBCEXLWKBRKOO-JAXLGGSGSA-N 439.560 2.337 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1689845980 DZLKNOZSACUBGB-PGRDOPGGSA-N 433.560 2.142 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689886988 LVAGCUBJBBQAIQ-QHCPKHFHSA-N 435.532 2.267 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1689994320 WCPVMXPDLLBSFG-LJQANCHMSA-N 430.574 2.115 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)(F)F 1690062393 NHNXHWNZNRZHJF-UHFFFAOYSA-N 431.422 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1690093489 AMBAMKHPEWACBG-NRFANRHFSA-N 425.577 2.277 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690225955 RPMUJPGLXCPSFY-PBHICJAKSA-N 433.354 2.406 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1690301125 PRWPSOSDMDXULN-FJIDUMEYSA-N 425.599 2.496 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C2CCOCC2)C1 1690673953 KEQUFWQJMXWOAB-KRWDZBQOSA-N 430.578 2.189 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOCC2)C1 1690691912 NHQXGQQHPJAMTC-SFHVURJKSA-N 432.956 2.497 30 10 IEEE CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1cccnc1 1692773592 DPTSGVYCENBRIS-QFBILLFUSA-N 445.593 2.463 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1692813726 QYDMSIGENNQTPJ-KEYYUXOJSA-N 443.483 2.284 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H]([C@H]4CCOC4)C3)n2CC(=O)NCC(F)(F)F)c1 1698484248 HEZDMSJFPWCHRT-SJORKVTESA-N 448.449 2.358 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705519164 ASJDJHHRXHOJLV-FQEVSTJZSA-N 433.603 2.452 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCCC2)c1 1705541463 JSFJIJAOYLZYMT-INIZCTEOSA-N 446.577 2.113 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1705563918 HVRSMJSMCVHVCN-DXIQSLLYSA-N 443.573 2.315 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1705598501 KVHBQXWEYZTNLV-TXTKFYIRSA-N 445.633 2.154 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1705665868 GNAXZMIOXFTZKQ-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1705702153 KUKSKNJNNUZTIS-PXNSSMCTSA-N 434.537 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705703851 WVNRAXQZWWREBC-BVZALQNUSA-N 444.580 2.272 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)CC 1705860152 NLPGAORCGBPCQZ-UHFFFAOYSA-N 437.529 2.234 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC3(C2)OCCO3)CCOC1 1706068849 RRUHDNKAUICPMT-LVCYWYKZSA-N 433.553 2.458 30 10 IEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)no1 1708986861 CDCRSUVHKFCILN-QGZVFWFLSA-N 435.488 2.394 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1710295422 HOUZESIIYLAMRG-FPOVZHCZSA-N 429.613 2.186 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCc2nnc3n2CCCCC3)CCOC1 1710415885 DYQFBWKCBZFSKN-JTSKRJEESA-N 442.568 2.229 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1711046338 SYJYZGILYBTEGS-QGZVFWFLSA-N 447.561 2.167 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1712459692 RAFTZUGJJKRRAS-NFBKMPQASA-N 440.548 2.359 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H](C)CN1CCOCC1 1722304155 WYYFQHRUAXSXPS-RTBURBONSA-N 427.549 2.292 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1722304303 YCJVXDWBBIBZPU-ROUUACIJSA-N 434.585 2.386 30 10 IEEE C#CCCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722321910 DGYQNBVGTOZMNQ-DHIUTWEWSA-N 442.564 2.219 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722355966 QWPQLYAJLLGAAJ-MRXNPFEDSA-N 437.953 2.004 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722361227 FYZQVJFUTALFJV-HOTGVXAUSA-N 437.953 2.045 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722361774 JRYMHCOHMQITDK-IBGZPJMESA-N 438.557 2.167 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCOCC1 1722405386 BUBVGAFYOQXRTF-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCC(O)CC1 1722423620 KEHOXQXSXIZTSK-UHFFFAOYSA-N 448.571 2.426 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc(F)cc2C)CC1 1722431580 ROMMCYVLRVRMFX-IBGZPJMESA-N 429.540 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1722467241 PDACCVDSBAKRDS-IFXJQAMLSA-N 436.607 2.142 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CC)C1 1722709521 RSMFEVWFYFWUSL-MSOLQXFVSA-N 425.537 2.191 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)C1 1722722141 MVGCABFOBSMLHW-GWJPWWOOSA-N 428.533 2.199 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1722733281 VOEZRAZHOWHUAF-GOSISDBHSA-N 445.483 2.267 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1722866940 DLPQSGFSRMDDHZ-WBVHZDCISA-N 440.529 2.479 30 10 IEEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CCC1 1729938215 CTYUFDHIKSBQCZ-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1731143786 FESSFQJINYGIBT-KIMSCTMESA-N 442.470 2.329 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 1731188632 LYAZGZLAFPUHCD-ZACQAIPSSA-N 448.449 2.204 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1731188969 DATKFNHIYQSIBF-IAGOWNOFSA-N 442.486 2.175 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740615357 BQIGHVWJGQJTGD-OKZBNKHCSA-N 435.594 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc([C@@H](C)O)cc1 1740645151 ABLFIFNQVAOHIX-GOSISDBHSA-N 428.496 2.490 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cscc2C(F)(F)F)CC1 1740689130 POXAIGGXSTZZKE-UHFFFAOYSA-N 440.495 2.300 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(SC)CCN(C)CC2)CC1 1740702593 SXPYZIMMTCOHBG-UHFFFAOYSA-N 432.638 2.195 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740733242 INSDPZIGFYIWLY-YLJYHZDGSA-N 433.603 2.347 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1740763191 ZHEPILZSZZSLIJ-INMHGKMJSA-N 437.591 2.254 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740794757 HRIQYOAZGXHLSY-NHCUHLMSSA-N 444.580 2.484 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 1740836626 ZFIJPKRFMSTXTM-UHFFFAOYSA-N 426.477 2.115 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1740951951 QRZVZKUOEVRJQZ-HNNXBMFYSA-N 438.536 2.157 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)C1 1740969812 BPIHDAWTVLNXAP-RTBURBONSA-N 438.532 2.207 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1740985983 WIZFUEOSYFXVEW-GCJKJVERSA-N 429.496 2.256 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccnc(OC(F)F)c1 1742838479 ZDOVXQVNGWKFGM-UHFFFAOYSA-N 426.431 2.225 30 10 IEEE C[C@H]1CCc2sc(-c3nnc(N4CCO[C@@H](C#N)C4)n3CCOCCN(C)C)cc2C1 1743012530 GEGOSGNZUPESKK-WMZOPIPTSA-N 444.605 2.438 30 10 IEEE CCc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744717427 JKZPMNKAEVFGJX-OQLSDQBISA-N 440.479 2.084 30 10 IEEE CCN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)C1CCC1 1745977134 ZTUGEIIWXPNEMN-VXHFXFQXSA-N 428.537 2.323 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1C 1748656847 ZXBRLHUMZKENJB-LBPRGKRZSA-N 430.310 2.351 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1748907158 GEPMNVKGUINAJI-DLBZAZTESA-N 449.552 2.441 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OCCCOC)cc2)CC1 1749004505 KLPFUHUAPDBRDE-UHFFFAOYSA-N 425.533 2.016 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1749211250 WCQUMQDJNCWHDU-MRXNPFEDSA-N 447.540 2.093 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750442100 QAQVPIJZHWMMHW-NONRQZMLSA-N 430.578 2.435 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CCOCCS(C)(=O)=O)C1 1751274760 QZAPCCQCKRVFDH-HXUWFJFHSA-N 435.525 2.275 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1760184253 HXDUWGGOKOLWOI-UZLBHIALSA-N 433.603 2.196 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1760189573 PYZAYNONLVCTBS-LAUBAEHRSA-N 433.578 2.087 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760465688 PUZSRMRDLJQJNU-MOPGFXCFSA-N 430.578 2.090 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1760499143 PMPJPSZFLBXMHV-NTKDMRAZSA-N 439.560 2.176 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1760692675 CBLVEMJZZDEUAG-JKSUJKDBSA-N 437.504 2.385 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N(C)C 1762106070 QHPMZPBVSGSGEY-UHFFFAOYSA-N 445.527 2.191 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1769387403 HYUOHQPGTNXCNB-ROUUACIJSA-N 436.516 2.121 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1770138551 QNLXDYIMUBJOCJ-MOPGFXCFSA-N 441.488 2.374 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCCC1(C)C 1771109109 DOPWREJBTJPTDN-QFIPXVFZSA-N 441.536 2.233 30 10 IEEE N#CC1(c2ccccc2)CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1851162661 YHJAFJOBPVTVMZ-UHFFFAOYSA-N 439.537 2.405 30 10 IEEE Cn1ccnc(N2CCC[C@H](NC(=O)c3cccc([C@H](C#N)c4ccccc4)n3)C2)c1=O 1851420151 QVJHOPLYCIVJSR-RBUKOAKNSA-N 428.496 2.230 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)OCc2ccc(C#N)c(F)c2)CC1 1852543955 XFROUMPGAHWWEA-IAGOWNOFSA-N 431.464 2.456 30 10 IEEE C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)C1 1853831354 UPPQNOVPPUFCSO-JKSUJKDBSA-N 430.936 2.337 30 10 IEEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCc4ccc(F)cc4C3)ccc21 1854441537 SQFKJEXHJDAFCS-UHFFFAOYSA-N 427.457 2.292 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCC3)C2=O)CC1=O 1855619663 SUVZKUBQTLGENH-INIZCTEOSA-N 426.542 2.138 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4cc(Cl)ccc4C3)CCC2=O)CC1=O 1857069456 ULJGLYCWFFALJF-QFBILLFUSA-N 429.948 2.498 30 10 IEEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870563298 UOEOKSHEOVUUHA-UHFFFAOYSA-N 436.516 2.330 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874292461 DWWMGLFTUXZSAQ-UFFVCSGVSA-N 442.457 2.234 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(C)ccc1O 1874470829 JTFFQABXQFARDR-SSDVNMTOSA-N 429.502 2.365 30 10 IEEE C=CCSc1nnc(COC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874502655 SLZYVUUEHCGUJI-PXLXIMEGSA-N 447.561 2.304 30 10 IEEE C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)nn1 1889677761 IOPKRCCOJTZOGP-KRWDZBQOSA-N 426.546 2.238 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3ccnc(N4CCOCC4)n3)n[nH]2)c1C 1889736676 QEXQVNZKZURCRK-UHFFFAOYSA-N 436.520 2.023 30 10 IEEE COc1ccc(Nc2cc(C)[nH]c(=NCCNS(=O)(=O)c3cccc(C#N)c3)n2)cc1 1891648481 OKXNEFTXUPADEI-UHFFFAOYSA-N 438.513 2.221 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1891865744 ZQWGEPQLQHGPCZ-UHFFFAOYSA-N 440.525 2.279 30 10 IEEE C=CCN(CCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C(=O)OC(C)(C)C 1986132066 KACRIQGFOWHNHO-JKSUJKDBSA-N 427.542 2.286 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)C1 1991988202 SIBJDENMSSDVSB-CABCVRRESA-N 425.526 2.086 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1992857953 GCERVPDFEYBPNH-OWCLPIDISA-N 427.542 2.190 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2010227989 WELUUEPTVRIWNI-BBWFWOEESA-N 439.553 2.027 30 10 IEEE C=CCn1ncc(N[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1=O 2106022064 NEILQDUKZQTXDO-DGCLKSJQSA-N 429.315 2.143 30 10 IEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224081679 QQEPAZSNRAGBKE-IAGOWNOFSA-N 433.358 2.499 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237398702 NUQXBLFARXQIBN-JXFKEZNVSA-N 437.334 2.482 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247832425 PCBNCZBVTHAGEQ-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587019 KMOFEKHYHFJYKD-MRXNPFEDSA-N 431.319 2.447 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2255617211 BLAKFQJXXYDELG-CQSZACIVSA-N 434.346 2.180 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2255654955 GIOMDMKOJHCCFV-JYWCWKAFSA-N 438.330 2.184 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255827506 XZMCNMCNFCKZIL-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829257 LTEGFBLQBURYJG-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE COc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255859232 YBISOEXOSCTQBM-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256614530 ODSIXQPRUWLNSS-QGZVFWFLSA-N 434.342 2.427 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995457 AVAMAMIUFHIVEW-PKOBYXMFSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@H]21 2267093158 RAZCAVUJHKWVNC-CWRNSKLLSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140419 QETLRXFTPAWFBH-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267181303 QOIZSKCPHSASPH-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267189272 YHEFAUFPLHRFMG-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872516 JNNFFOHTMMUIQC-CABCVRRESA-N 446.357 2.342 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268650409 JABFULQCAUMQQW-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE C=CCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc1OC 2297345619 MONHVRNMZWKNRE-UHFFFAOYSA-N 434.499 2.271 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2326798991 LAEPRCKLPVXLPT-OAHLLOKOSA-N 442.268 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H]2COC[C@@H]21 2345723877 FBKBSUYNHKHHKB-SJORKVTESA-N 449.332 2.344 30 10 IEEE Cc1ccc(-n2c(=O)/c(=C/c3ccccc3OC(F)F)s/c2=C(/C#N)C(N)=O)c(C)c1 3279755 VGHYAHLJSBRSHJ-RSGUYIPQSA-N 441.459 2.106 30 10 IEEE COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc(I)c1O 9028304 OCICAXZUBLGCBB-UTDFZYAKSA-N 438.221 2.146 30 10 IEEE Cc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc4ccccc34)n2N)s1 20913198 SREGEWBYVGRJMW-AWQFTUOYSA-N 439.530 2.482 30 10 IEEE CCOc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C(\C)Cl)cc1 254480073 RHMFVQDGCBRQCY-ADSBHPBWSA-N 430.896 2.421 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccn(CCC#N)n1 433233372 OOWMCSVWDXCHDI-LBPRGKRZSA-N 425.308 2.608 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 438160529 OMRJUAMPIPVFJT-CABCVRRESA-N 427.461 2.370 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(COc2ccc(C#N)cc2)o1 439929918 XGGAKKIINBKXAJ-HNBVOPMISA-N 438.436 2.295 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 460388439 OOJULSUVGSLMSZ-IBGZPJMESA-N 449.552 2.495 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 496353576 AGNOXFXPWRHKTF-OAHLLOKOSA-N 425.308 2.459 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 508746465 KBRWOTQKTCGGLH-OAQYLSRUSA-N 436.560 2.245 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)CC1CCOCC1 509010110 DMEGDHPVEHDQHF-UHFFFAOYSA-N 438.576 2.285 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c1C 518714683 AXMOAHDVDKUTKR-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE C=CCn1c(Cc2noc(-c3cc(C)n(-c4ccccc4)n3)n2)nnc1N1CCOCC1 544286353 YFYJFOQUKURGHH-UHFFFAOYSA-N 432.488 2.436 30 10 IEEE C[C@@]1(C(N)=O)CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 544531747 VTMPCZDIUZGVQP-MWTRTKDXSA-N 427.549 2.086 30 10 IEEE COc1ccc(NC(=O)c2nnc(CN3CCN(c4cccc(C#N)n4)CC3)s2)cc1 544877476 PXCXJXFZZHTXQU-UHFFFAOYSA-N 435.513 2.388 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)n1 553164559 VPLUDVWVKKIWHT-QGTPRVQTSA-N 426.908 2.393 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(c2ccccc2F)CC1 561399298 SBAHKFAMJIWXBC-INIZCTEOSA-N 430.505 2.103 30 10 IEEE CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H]1n1cccn1 564231877 RILUPFRUKBPWCT-OAGGEKHMSA-N 425.308 2.214 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(C(=O)CC#N)CC2)c1 582571660 BYBCDDARSDZYSG-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 679532980 FHLZUTSALPMIID-BOSXTWCSSA-N 449.573 2.047 30 10 IEEE CS(=O)(=O)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 719487466 WHZICJOGGKVTAB-YJYMSZOUSA-N 431.466 2.439 30 10 IEEE CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCN/C(O)=C1/N=CC=CC1=O 741139219 IBXYZHBNXSYBCN-HNENSFHCSA-N 438.406 2.409 30 10 IEEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCO1 741245687 HXDVGUIRKXVERQ-IBGZPJMESA-N 428.464 2.307 30 10 IEEE CCc1cnc(CCN2C(=O)[C@@H](CC(=O)NC)S/C2=N\CCc2ccccn2)s1 742213694 MSSGAVMEXMSFLM-LTRAUPRXSA-N 431.587 2.322 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1(c2cccc(Br)c2)CCOCC1 742247355 AGPRMAMEVDJHED-HNENSFHCSA-N 448.317 2.488 30 10 IEEE C[C@H](CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1)/N=C1/NS(=O)(=O)c2ccccc21 742638741 PIUHQCGBZFEJDL-PMPSAXMXSA-N 437.587 2.017 30 10 IEEE C[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C#N)c1 744898784 DYVKXYYCSWBLND-BBRMVZONSA-N 433.511 2.343 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)CC2)o1 745232614 FGUAYJRFRASIII-CABCVRRESA-N 430.411 2.128 30 10 IEEE C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)c1nnc(-c2ccc(F)cc2)o1 746149486 CNPICMIPGUZEKL-LBPRGKRZSA-N 430.417 2.330 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755042554 RIECTJHASHXJDT-UHFFFAOYSA-N 439.562 2.347 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(Br)c2)c1=O 758071878 PJZNURHRZBBQLP-UHFFFAOYSA-N 427.323 2.178 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 759396203 QMBPGEREKZSMNF-HNNXBMFYSA-N 443.472 2.397 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(C(C)(C)C)nc1Br 779983083 JOYUUSURIDNMRI-LBPRGKRZSA-N 432.326 2.413 30 10 IEEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)c1ccc(NS(C)(=O)=O)cc1 780177164 SMPGBAPMCDDPDA-RNODOKPDSA-N 438.502 2.434 30 10 IEEE N#Cc1ccsc1NC(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 780254450 DUWPXUSNSMKYKK-HXUWFJFHSA-N 429.454 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 782570870 WGKGBVBOZWQMBC-SFHVURJKSA-N 442.516 2.196 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)n1 788810154 OANASUIKWLATOB-UHFFFAOYSA-N 444.435 2.067 30 10 IEEE C#CC[C@]1(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)CCCN1C(=O)OC(C)(C)C 812382582 LBISDTXFHNJBCY-JOCHJYFZSA-N 428.489 2.314 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCCCc2nc(-c3ccncc3)no2)c1 913257318 AZIKHWKCJDBEFO-UHFFFAOYSA-N 428.470 2.386 30 10 IEEE COc1cc(C=NNc2c(F)c(F)nc(F)c2F)ccc1OCC(=O)N1CCOCC1 916325501 QOKHLTWVAIMMDK-UHFFFAOYSA-N 442.369 2.330 30 10 IEEE N#CC1(NC(=O)COC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CCCCC1 919282934 HTMIOMGIJTVPRN-SFHVURJKSA-N 429.492 2.493 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cccc(O)c2)n1)NCc1ccc2c(c1)OCO2 1084063347 WODFZDNTRXHMNG-UHFFFAOYSA-N 426.458 2.094 30 10 IEEE CN(C)S(=O)(=O)C[C@@H](OC(=O)Cc1ccc(Br)cc1C#N)C(F)(F)F 1129509348 YIDWJPMTOIIUCK-GFCCVEGCSA-N 443.241 2.229 30 10 IEEE N#Cc1cccc2c1CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1130387113 BEVHPHLUCRPCCS-LJQANCHMSA-N 426.454 2.162 30 10 IEEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)O1 1133997026 ODLUIVJYRYSUHR-NYVOZVTQSA-N 431.508 2.335 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)ccc2c1=O 1141493594 GHRQKVOMOIWWBP-YPLUBFQTSA-N 443.447 2.445 30 10 IEEE C[C@@]1(C2CCN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CC2)NC(=O)NC1=O 1148006041 IDVYTLMXYZOXFG-QHCPKHFHSA-N 432.484 2.016 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)CCCN1C(=O)OC(C)(C)C 1158572927 DFZUYCNFKBPVHN-NYHFZMIOSA-N 430.505 2.414 30 10 IEEE C=CCn1cc2ccc(NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C3CCCC3)cc2n1 1209589544 BQKVAWXYFQPNQW-IBGZPJMESA-N 434.566 2.299 30 10 IEEE CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1233854499 XXIWTYKNIOYRCK-WCQYABFASA-N 439.314 2.140 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CCS2(=O)=O 1251481388 HUWCJOSGJLOMOP-WUZYXKQASA-N 445.541 2.131 30 10 IEEE COc1ccnc(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1F 1253241837 DXLVSWBRTJNSLV-UHFFFAOYSA-N 441.442 2.440 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cc(OC)ccc21 1286376986 QHWXQOFDIHFREC-ZWKOTPCHSA-N 428.558 2.378 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286384996 KZEZPQWBFXMDKG-ZWKOTPCHSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1286392050 HOSQBSLAHRNGAQ-IRXDYDNUSA-N 449.964 2.243 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)F 1286422092 VUQBODZYHUEASE-UHFFFAOYSA-N 439.463 2.221 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1286447114 JDXLAGCFEMGTMZ-QUCCMNQESA-N 445.589 2.264 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286498777 LZXVVPJSQIMPEW-GOSISDBHSA-N 429.571 2.197 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C(C)C 1286517364 ULIRLXYDVYLXKP-HSZRJFAPSA-N 447.547 2.075 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 1286615606 RDBGDHOGMYICEV-CTNGQTDRSA-N 438.576 2.287 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1COCCO1 1286765370 DKRNBNGNYKNIAM-FQEVSTJZSA-N 426.521 2.383 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(C)(=O)=O)C1 1286799808 AHNTUMDHGUDNFG-YJBOKZPZSA-N 438.525 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C(=O)NC)C1 1286803969 HVAHNSDMJGVDKW-MRXNPFEDSA-N 427.505 2.227 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286820177 GQCZHZZLPFWKCO-UHFFFAOYSA-N 437.610 2.231 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)cc1C 1289826730 AATICOOESWOUKA-FQEVSTJZSA-N 442.589 2.252 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cccs2)n1 1290627691 GWECTSRXELOTBX-FQEVSTJZSA-N 442.524 2.073 30 10 IEEE CCCN1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1294684886 XWAQCORBQLSZMU-MRXNPFEDSA-N 446.577 2.004 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1295315478 WFVGJSQTYFVZQK-WOJBJXKFSA-N 449.559 2.180 30 10 IEEE CCOCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297454049 KQCBEZGPKGBCTR-UHFFFAOYSA-N 437.552 2.330 30 10 IEEE CCOCCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1297458906 AAVDLVVIAPRBLM-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)C[C@@H]1C 1299456336 LMQGAKTYSYFNNI-INIZCTEOSA-N 442.520 2.431 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1300270818 FMDCCNYEUFOXDC-CVEARBPZSA-N 446.577 2.111 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1300278242 PPMJZKUTIRMUAJ-JOCHJYFZSA-N 436.472 2.080 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1300459870 XKOPYUUOVVRYBS-SFTDATJTSA-N 441.601 2.160 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1300500724 CMWSPMZWHVZHLA-IBGZPJMESA-N 428.558 2.109 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)O 1300665530 KUDQVRWWSKZKOB-KRWDZBQOSA-N 435.569 2.250 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1300805411 BVQITRBALSMTJR-CZUORRHYSA-N 436.525 2.468 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1300813465 KURLNEYFODVLLT-OAQYLSRUSA-N 444.630 2.311 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)CC=C 1300816036 HAFKHRQLEZNPLG-JOCHJYFZSA-N 444.557 2.459 30 10 IEEE Cc1cccc(CN(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1304205240 NSUUEYMVGGZXRP-XDOYNYLZSA-N 444.499 2.206 30 10 IEEE Cc1nc(-c2cnn(C)c2)sc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893289 SRKTWPRUYKGGCW-UHFFFAOYSA-N 425.470 2.370 30 10 IEEE C#CCN(C)CCCNC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1312264905 SAFUKEFMTAFFHJ-UHFFFAOYSA-N 432.521 2.381 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(OC)CC2)CC1 1315055122 XSDPIJXEYCFPGZ-UHFFFAOYSA-N 437.548 2.483 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358930944 JYRJQMDLJJIIAK-HXUWFJFHSA-N 445.564 2.426 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1N(C)CCCC1(C)C 1358946389 SZSRAVFXNQEDTE-GOSISDBHSA-N 443.621 2.428 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1358959276 FSUZMONOFDESIW-KRWDZBQOSA-N 435.509 2.393 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCc2nccn2C1 1358971669 DWGJRPYXNGDBGV-GOSISDBHSA-N 430.512 2.494 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2csc(COC)n2)CC1 1359037732 VFDVHJRSWUMZCF-UHFFFAOYSA-N 428.587 2.337 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1359164659 VQTKTQKMGKVRBD-INIZCTEOSA-N 427.505 2.460 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1359335884 XTUMFLUVKUIEGP-APWZRJJASA-N 432.546 2.455 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1438910421 YRAFOLZFWSCXDX-ABAIWWIYSA-N 437.290 2.448 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)c1 1441886620 ONUJHSHDUYKRJW-UHFFFAOYSA-N 440.931 2.434 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1471013574 BMCWAWDIFPQVHW-QGZVFWFLSA-N 433.509 2.047 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1CC(=O)OC 1472425138 GJEJYBIEZFWYIA-USXIJHARSA-N 435.546 2.132 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)CC1 1476938893 KZUZYRZCHBAFER-UHFFFAOYSA-N 427.320 2.161 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCN/C(O)=C1/N=CC=CC1=O 1492575765 YLONSOGICQHSLV-KTVWJZFRSA-N 433.516 2.442 30 10 IEEE CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1499581626 HKDOTRCWFUQUTR-FUHWJXTLSA-N 428.562 2.335 30 10 IEEE COCCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1504837318 DTVMBMDBDWQIRE-GCJKJVERSA-N 442.495 2.135 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)C)cc2)CC1 1507717168 ZMNNTOODPBCLRG-UHFFFAOYSA-N 436.560 2.105 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CC1 1507724754 WSGLKNGOAXVCLM-NRFANRHFSA-N 443.979 2.473 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507755636 VRYPLRYJLRYJCB-LJQANCHMSA-N 440.573 2.244 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccnn1C)C1CC1 1507790096 WPQABHUOZZKBNM-UHFFFAOYSA-N 434.342 2.212 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507836007 TWMCWCXTJBQTTR-MSOLQXFVSA-N 427.553 2.437 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1)C1CC1 1507994365 ZXSMIMJAAFNPFP-QGZVFWFLSA-N 444.540 2.033 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1508021094 RFIIHQGKMRUYDG-GOSISDBHSA-N 448.568 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](CC)O[C@H](C)C1 1508135167 FCMLOMUHSZJPIV-WBVHZDCISA-N 448.545 2.278 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508157817 BNQWFQLQYFZHJB-DLBZAZTESA-N 442.593 2.044 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1508316877 CNPNLHGXIFLFIW-ZWKOTPCHSA-N 430.459 2.346 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1516837651 WMICQGGUYVBPPQ-SFHVURJKSA-N 440.932 2.370 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1519514449 XYXZCJSIAXEENB-FQEVSTJZSA-N 440.573 2.092 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)s1 1532191438 JKZNCKHESBFFSG-ZDUSSCGKSA-N 447.542 2.083 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)C2)nc1 1534510203 OBHLSMBQTCUULQ-GOEBONIOSA-N 439.403 2.033 30 10 IEEE C#CC[C@]1(C(=O)NCCN2Cc3ccccc3OCC2=O)CCCN1C(=O)OC(C)(C)C 1537841468 SUVVPKJAFYNXPL-XMMPIXPASA-N 441.528 2.317 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1539045412 DUXLSIINBFONMO-UHFFFAOYSA-N 430.553 2.232 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539218920 AJSKUYAVOMNHTE-ZWKOTPCHSA-N 434.587 2.103 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1539226226 VUGUJKYXDNAQOP-IAGOWNOFSA-N 442.532 2.062 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1539371735 YEOMUAOFNXQLBC-APWZRJJASA-N 430.530 2.075 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC=C 1539399738 RRAXMSXUOWZNQV-UHFFFAOYSA-N 438.351 2.157 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539407578 HPEPSVQFJMUAGK-LJQANCHMSA-N 430.512 2.479 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)O)CC1 1539429784 CWJASELIFZKYKG-GOSISDBHSA-N 427.549 2.343 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539640425 HQZSQJZCMZNPPX-NQIIRXRSSA-N 445.568 2.200 30 10 IEEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1540155039 JKRSGYLSFOHRJI-RXVVDRJESA-N 438.594 2.322 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1540869904 ACPLUNREIRHEEM-RTWAWAEBSA-N 444.624 2.423 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540872411 OYEIGPOJCLMMPU-ZWKOTPCHSA-N 426.565 2.099 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCn2ccnc2C1 1541806121 FKKJSKXNUHWFSB-HZPDHXFCSA-N 438.561 2.467 30 10 IEEE CN(C)CCC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1542376743 XMKCSAXUODCPHX-UHFFFAOYSA-N 432.477 2.265 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](OC)c2ccc(F)cc2)CCOC1 1547918675 GTTDNEHKDRJWHH-CNNODRBYSA-N 445.495 2.186 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1557978388 USSAWKQVHCHGBL-HNAYVOBHSA-N 434.512 2.210 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C#N)s2)CC12CN(C(=O)OC(C)(C)C)C2 1564954007 CCGJERBCKHKMTG-HNNXBMFYSA-N 434.518 2.171 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1570419680 GVWXHQKBQDUWKE-VAWYXSNFSA-N 431.470 2.079 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCC[C@@H]1CO 1587652054 UAEULDCUPFNCKQ-TZIWHRDSSA-N 435.576 2.211 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1587690016 WUGNDHMRXWCBJO-LJQANCHMSA-N 449.603 2.238 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1587702081 NNSQWPTUTLRUHQ-KRWDZBQOSA-N 429.525 2.269 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588055509 WUQYKRKGXSDOAE-LJQANCHMSA-N 430.578 2.076 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCn1cncn1 1588112998 CYUIWXVAPFFBLP-UHFFFAOYSA-N 440.305 2.081 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1588876705 GDELPGRPWWVDKI-QGZVFWFLSA-N 432.569 2.188 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1589042653 JJRJBJCQXLIBKK-HXUWFJFHSA-N 439.633 2.311 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1589151179 TYUVGYZPJOHJHV-FYINFDKHSA-N 449.552 2.407 30 10 IEEE C=C(C)Cn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1593683676 NXUCPOARMGYSID-VGOFRKELSA-N 445.568 2.335 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1593695206 CLFJQIYEEDPQFZ-FUHWJXTLSA-N 444.511 2.364 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1593782001 DFUXQJAJYDPSAW-QGZVFWFLSA-N 443.577 2.362 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1594023494 JVMKHGXTLUTCNZ-ZJSXRUAMSA-N 446.640 2.360 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCOCC2)CC1 1594181806 QDKPNPSZWKPKOY-UHFFFAOYSA-N 426.521 2.259 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 1595570111 XUCNRVFXOSZSHO-UHFFFAOYSA-N 440.548 2.034 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCOC1 1595610727 GFKDNFJWTGUJMJ-VFNWGFHPSA-N 433.892 2.041 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC)CC1 1595649731 UIJGMLAOXKRPDT-UHFFFAOYSA-N 433.516 2.311 30 10 IEEE Cc1cc(C)n(CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)n1 1612513601 AORCKFKUOUGICU-OAQYLSRUSA-N 425.516 2.485 30 10 IEEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1617170893 FDAXLSIXPVQUPL-NRFANRHFSA-N 446.577 2.362 30 10 IEEE Cn1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)cn1 1618409130 RKKWJQWSENEXRZ-QGZVFWFLSA-N 433.289 2.270 30 10 IEEE CCOc1ccc(NC(=O)CN2CC[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCCCC1 1620441726 XXVWOHFVXCBTJZ-OAQYLSRUSA-N 434.562 2.434 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1623391805 YFBZLDRSMYNVOF-NYYWCZLTSA-N 434.464 2.470 30 10 IEEE CC(C)(C)OC(=O)N(CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1626774665 RJCFTWIRUGZXDJ-UHFFFAOYSA-N 425.482 2.252 30 10 IEEE N#Cc1cccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1Br 1627406970 IWSRIDVLOOWLJF-UHFFFAOYSA-N 442.317 2.347 30 10 IEEE CN(C)C(=O)CC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1632627811 JRWMSDWMYZPXKL-OTQYULQBSA-N 432.565 2.490 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)s1 1632983430 ABNYTVRYUHRYNG-CABCVRRESA-N 430.617 2.268 30 10 IEEE C=C(CCN(C)C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634741601 QODYFNQYNKEZJW-INIZCTEOSA-N 444.395 2.226 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCO1 1638836885 QDIHOPMAJHENOQ-CVEARBPZSA-N 440.541 2.326 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 1640395325 SMVGSUBSHVRLMB-INIZCTEOSA-N 435.452 2.434 30 10 IEEE C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641404622 MHECMFPGZGUOPU-ZHRRBRCNSA-N 444.557 2.171 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc(Br)cc2)C(=O)C1 1644112846 PUJUCGPSQORXJX-IBGZPJMESA-N 444.329 2.405 30 10 IEEE CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N2CC[C@](C)(C#N)C2)cc1 1646251981 FVUCJBFJFOEVCN-XMSQKQJNSA-N 433.574 2.279 30 10 IEEE N#C[C@@]12CN(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1648415661 MYZOCSPBOGGGQT-CVDCTZTESA-N 439.537 2.464 30 10 IEEE N#Cc1cc(C(=O)N2CCn3ncc(I)c3C2)cnc1C(F)(F)F 1652510381 OFSSONNHKYMKEB-UHFFFAOYSA-N 447.158 2.429 30 10 IEEE C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654688662 CAGISBTXECBUBN-JTSKRJEESA-N 449.573 2.432 30 10 IEEE N#Cc1ccc(C2CCN(CC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)CC2)nc1 1655172631 MFQQAHNDJDRTMB-UHFFFAOYSA-N 433.921 2.072 30 10 IEEE C#CC(C)(C)N(C)CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1658236566 KJZVAGBZHHWRTJ-UHFFFAOYSA-N 425.533 2.208 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)C2)nc1 1671568517 ZDQQMCCUGHJQNT-FGZHOGPDSA-N 434.544 2.306 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)n1 1673594056 VBESCZDJCWFBNC-HNNXBMFYSA-N 432.452 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCOC1 1689831191 GWKXJTPKWHEGEX-NVXWUHKLSA-N 430.578 2.431 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689992412 KRZKUTQTDKPJNE-ICSRJNTNSA-N 446.548 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(F)F)c(F)c1 1690025057 BYOKVNDSKHETMP-UHFFFAOYSA-N 431.418 2.262 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1690077739 VTVQKWNABODLAH-QUCCMNQESA-N 445.589 2.264 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCOC(C)(C)C1 1690095822 DNBFKUGXDIHWSL-UHFFFAOYSA-N 442.520 2.050 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(CCOC)CC2)CC1 1690144267 RVPSQBYGIFSMQB-UHFFFAOYSA-N 436.560 2.431 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2csc(C)n2)CC1 1690146298 KLKITVQLUOQZPR-IBGZPJMESA-N 442.589 2.493 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(C)C(=O)[C@H]1C 1690184169 DXTWCYVEFNTMKV-QGZVFWFLSA-N 427.574 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1690248160 LCLDVSHAQXLXDU-CTNGQTDRSA-N 447.605 2.144 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690673137 PBWNMDIMTJESEO-SFHVURJKSA-N 449.534 2.420 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690686070 IURYXDLFRLZUTI-RTBURBONSA-N 432.613 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690719892 UYXWBKQFRZNEQS-IEBWSBKVSA-N 445.589 2.227 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690722822 WSBAEAKADAOIDG-LJQANCHMSA-N 431.562 2.194 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1692671310 ZBYYPYOPCJVFMH-JTQLQIEISA-N 432.282 2.249 30 10 IEEE COCCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1697910208 GQEFMQWKHZELAU-OAHLLOKOSA-N 426.587 2.081 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705478078 WHACTQUHCFGLFD-XYJFISCASA-N 449.552 2.439 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1nc2c(s1)C[C@@H](C)CC2)[C@H]1CCS(=O)(=O)C1 1705569441 CWFYYTOEMUUBHM-GJZGRUSLSA-N 433.603 2.097 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705665939 IUEXQJSOGXRTRN-GOSISDBHSA-N 441.557 2.481 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCc2ccco2)CC1 1705777069 WJXFVVCXXOWIEO-JOCHJYFZSA-N 429.521 2.242 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)cc(OC)c2)C1 1705914482 BFUMVVJBYLGISQ-SJLPKXTDSA-N 449.577 2.035 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705945328 IEPFIKVQIXMYQH-IRXDYDNUSA-N 428.624 2.495 30 10 IEEE CCCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCN(C)C2)cc1OC 1709851813 CJSOZALAJMGURO-SBUREZEXSA-N 442.564 2.405 30 10 IEEE CCN(CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1710140852 NBZXOYLGFJOPPX-AWEZNQCLSA-N 439.973 2.403 30 10 IEEE CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1710275222 LKFZVFGQMUTSHK-VGOFRKELSA-N 428.537 2.362 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNC(=O)C(C)C 1712229882 LMICNVSGSYQXOE-UHFFFAOYSA-N 437.504 2.208 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1712596721 VMVUGLNRZQIWRY-IBGZPJMESA-N 438.532 2.104 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCSCC2)C1 1712875911 SPTBCPJFTIDXHV-LJQANCHMSA-N 431.497 2.344 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1722306745 VSOCTDRKCVIFRK-ZJPYXAASSA-N 433.553 2.312 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2F)CC1 1722432925 JFVXACGALUWUKN-HSZRJFAPSA-N 427.524 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)C)CC1 1722444695 DPOGAJQAWWOXDN-NRFANRHFSA-N 434.544 2.454 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCCCC[C@@H]21 1722450902 DKGOSARIGVMETN-BBWFWOEESA-N 425.624 2.414 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722509007 VNSRTEDYUXSEPR-MJGOQNOKSA-N 441.580 2.355 30 10 IEEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N(C)C)CC1 1722626129 JSXPSPHEWMHOCI-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1)C1CC1 1722650900 NTCZXDGWSRMAFK-CQSZACIVSA-N 437.953 2.462 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722743484 ZSHWKOOITQIXHN-MJGOQNOKSA-N 438.557 2.363 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1722822916 XIMBUKOWHIFTGP-NRFANRHFSA-N 449.559 2.096 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCCCS(C)(=O)=O 1727614023 IBBBIGFBFJEYMY-UHFFFAOYSA-N 444.605 2.249 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCCO)CCN1C1CC1 1731187034 WKXUDSSUWKDQFN-IBGZPJMESA-N 425.493 2.192 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1740567843 WCDHOXABSNLYFH-GOSISDBHSA-N 442.951 2.380 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740580779 IEZJQWHXOOFJDI-MRXNPFEDSA-N 425.493 2.054 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740621575 NRWVUNCQWQBBMZ-ROUUACIJSA-N 447.580 2.441 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1c(O)nc2ccccc21 1740647168 OSHMENBPJIDCIQ-XMMPIXPASA-N 448.527 2.149 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(NC(C)=O)nc1 1740686887 OPEARFZAKHPSNK-UHFFFAOYSA-N 439.545 2.122 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740700143 HGXJLFAXRASFBR-FDDCHVKYSA-N 427.524 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccco2)N(C)C)CC1 1740703946 DKOKSBYCSZUYCY-FQEVSTJZSA-N 449.559 2.145 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCNC(=O)Cc1cccc(F)c1 1740729801 MGBJCGATVYFMJC-HSZRJFAPSA-N 433.491 2.225 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740845770 BAJGEMXRJSEBPI-UHFFFAOYSA-N 440.596 2.025 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740847425 ILYCPZMQSDRNHV-RBUKOAKNSA-N 429.613 2.048 30 10 IEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740879949 QGQSIDKORHINMU-SFHVURJKSA-N 442.495 2.435 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1740888450 SGFHNTSJYMSZHC-OAQYLSRUSA-N 446.640 2.370 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740965011 KUHCPTVYIDHIDW-HSZRJFAPSA-N 425.533 2.184 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1740986947 LJZDGVODTQIRJI-HNNXBMFYSA-N 439.532 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740988963 VJVMRCCOTCLLPT-LPHOPBHVSA-N 429.546 2.421 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)N2CCOCC2)cs1 1742582484 QHGOCHCPPLSNDO-KKSFZXQISA-N 429.594 2.485 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1744693883 MIVJLRWPKAATGG-QURGRASLSA-N 435.532 2.002 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1747007023 GTABVDWWAQVFKC-UHFFFAOYSA-N 431.562 2.360 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748809199 KMQLWRDREOCMGK-FQEVSTJZSA-N 441.601 2.446 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748818049 UXBCIPKUCKCHEH-ZWKOTPCHSA-N 440.635 2.188 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1748962500 JVMYXHFHIDPWRJ-IBGZPJMESA-N 443.523 2.136 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCC)c(OC)c2)CC1 1748992781 FYYFHPPEHMMURH-UHFFFAOYSA-N 446.555 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCSC)CC1 1749003512 LXBMDMURCCWWJS-JOCHJYFZSA-N 449.621 2.038 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1749067833 YHPYJYSPRMRSLD-CBGDNZLLSA-N 431.562 2.068 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 1749131763 VKCYBYZWVXKLMM-ULQDDVLXSA-N 440.635 2.493 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1749136398 MRXWOLANMWYFNY-UEXGIBASSA-N 436.516 2.022 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1C(C)(C)C 1749139950 KBJCPWQDPVUZOF-QRVBRYPASA-N 431.581 2.384 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749341634 KZANOPDDJRQWQU-IBGZPJMESA-N 425.533 2.487 30 10 IEEE COCc1cc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)ccc1F 1749423278 BYYACEOYFGBDLI-OAQYLSRUSA-N 430.459 2.176 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1749487398 CREYPQYXDVLKLJ-DOTOQJQBSA-N 449.602 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2nccs2)C1 1749721265 FGZBGLAOFJPVTG-CABCVRRESA-N 425.580 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749734949 OHNNPEXZGXBRLK-MRXNPFEDSA-N 439.607 2.420 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCSCC1 1749828140 UUXZQVDKFLTGDV-UHFFFAOYSA-N 435.985 2.409 30 10 IEEE CSc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)ccn1 1750270232 PCFSEWWULSPJHL-UWJYYQICSA-N 444.561 2.213 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750445187 RJTBGGVJXWURAW-NHKNDPDJSA-N 441.580 2.167 30 10 IEEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760137116 OUMMTDFWLHXRMW-FQEVSTJZSA-N 449.621 2.370 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1760192249 HACVRHWKOXCGOP-RBUKOAKNSA-N 444.557 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1c(C)cccc1C 1760208524 VCFMKZFFKYQGFU-UHFFFAOYSA-N 432.528 2.233 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1-c1cnn(C)c1 1760247681 KWCIOHZKXKMPHM-UHFFFAOYSA-N 428.500 2.270 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(N(C)C)CCC2)CC1 1760257925 CLEHPZCDGOEFFK-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOc2ncccc2F)CC1 1760259179 ZPEGIYYQGNQUGU-UHFFFAOYSA-N 436.491 2.322 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cnn(CC(C)C)c2C)CC1 1760271705 HTEDGQNAWUNPRA-UHFFFAOYSA-N 437.592 2.406 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2OC)C1 1760541955 IVIHYNUBHGHDDK-MOPGFXCFSA-N 441.532 2.270 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760567390 YVNPHKQDDQVGRV-IBGZPJMESA-N 425.562 2.285 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC1CC1 1761501108 FGXWGUKOZVXEAQ-BEFAXECRSA-N 444.561 2.138 30 10 IEEE Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1761826766 KKXFVUOSMMUPCS-QURGRASLSA-N 434.500 2.458 30 10 IEEE CCOC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1767321329 DIFFCIBAISQJTE-QGZVFWFLSA-N 446.939 2.405 30 10 IEEE CO[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)(C)C 1768096599 JWFPLXRBYQQWAV-IBGZPJMESA-N 449.563 2.333 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1768426835 HQWIFXLXLCMGKL-UXHICEINSA-N 438.532 2.193 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1770324988 OVQZACVXEWDLLD-GOSISDBHSA-N 429.477 2.144 30 10 IEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(N)=O)cc2)CC1 1770746421 FJKQGALZYPKWHW-UHFFFAOYSA-N 449.540 2.157 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1772567032 UKPYJVQXOJGDNY-HNNXBMFYSA-N 433.944 2.166 30 10 IEEE COc1cc(NC(=O)CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc(OC)c1OC 1850442681 DJEVBZFGHHMSSD-UHFFFAOYSA-N 444.532 2.125 30 10 IEEE COc1ccccc1-n1nncc1CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1850829041 ACCJHAUZERQSHN-UHFFFAOYSA-N 430.512 2.425 30 10 IEEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 1851979339 LEXVUBPZMOFOCZ-UHFFFAOYSA-N 438.923 2.500 30 10 IEEE Cc1noc(C)c1CN1CC[C@@H](N(Cc2cnnn2C)C(=O)c2ccccc2OCC#N)C1 1853420624 LDCJSXPPLJSNHE-GOSISDBHSA-N 449.515 2.239 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C3CCN(CCC#N)CC3)CC2=O)cc1 1856150237 SVHHDJWIZSCTMI-LJQANCHMSA-N 431.558 2.023 30 10 IEEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1=O 1857485926 TWXDTRDJGZSCDY-ROUUACIJSA-N 439.965 2.129 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)c1 1858411840 PTXNVOWDJWYCAL-QGZVFWFLSA-N 438.509 2.334 30 10 IEEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(O)c1 1862607418 NXMZGQDJRQNNRI-FQEVSTJZSA-N 441.436 2.484 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862755622 FLQDICZCFRHPRF-KZULUSFZSA-N 440.408 2.341 30 10 IEEE C=CCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870684054 KDOAGLASLCMEAC-UHFFFAOYSA-N 426.473 2.186 30 10 IEEE C=CCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N(CCO)CCO)n1 1871610530 HHNWPHOAPWOIIW-UHFFFAOYSA-N 430.553 2.385 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873562555 IVDVWSFUMOGTFU-UHFFFAOYSA-N 438.507 2.147 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCCN(C)CC2)c2nc[nH]c2n1 1873703113 QNWIGIJKXHPTBU-UHFFFAOYSA-N 437.504 2.077 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889403945 MDIMHZDNCQYNRK-HOTGVXAUSA-N 425.514 2.350 30 10 IEEE CN(CC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1)Cc1ccccc1 1889438831 JIUQLPFYQCRXNG-ZEQRLZLVSA-N 448.592 2.481 30 10 IEEE N#C[C@@H]1CCN(S(=O)(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1957287145 TXCDXTWOTCRJAA-INIZCTEOSA-N 440.525 2.205 30 10 IEEE C#CCN(C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCOC1 1962754940 HLBMVUMUHVFLSD-OALUTQOASA-N 430.501 2.264 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1990495296 RAOMUMJOJBKLTK-HOTGVXAUSA-N 425.574 2.404 30 10 IEEE CC(C)C[C@](N)(C#N)Cn1cnc(I)c1I 1995365919 OGMDQTLNRIJTFN-JTQLQIEISA-N 444.058 2.359 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778280 NLFOQGOYJXCNLY-VXGBXAGGSA-N 447.204 2.401 30 10 IEEE C#CCn1ncc(NC2(CN)CCN(Cc3ccccc3)CC2)c(Br)c1=O 2187401556 PLVSNPJLQMENKM-UHFFFAOYSA-N 430.350 2.044 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCc2cccc(C#N)c21 2189925749 GRMVOWJZSIFUEC-NRFANRHFSA-N 427.457 2.275 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255631347 XKAWBTVXNUSYMU-ZFWWWQNUSA-N 434.346 2.227 30 10 IEEE C[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255699669 YZUSDQLDIBMDBT-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255842703 WPAUVJQODIGGQO-ZIAGYGMSSA-N 449.382 2.285 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874503 WFYBWAUGBZOYNH-GOEBONIOSA-N 433.358 2.452 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063398 VJLJFBVNJUUICU-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)=C[C@H]1O 2256678272 MLZIPNYFSVKCAX-IAGOWNOFSA-N 434.342 2.361 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCCN1C(=O)OC(C)(C)C 2267131715 GCFQQURFPFWWCU-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267141707 MCECODHNTONMBI-PEBXRYMYSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2267143201 FAUKCKYOFCXOGB-HOCLYGCPSA-N 446.357 2.180 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)[nH]n2)OC1(C)C 2267148174 ZQSVHARZLVBJJO-CEXWTWQISA-N 436.365 2.349 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267178541 DJYQNWKSFAECIG-CHWSQXEVSA-N 444.259 2.498 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2267182471 GYRKSFPHZSCDCZ-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188418 LVQPQBFKBZVVEO-GJZGRUSLSA-N 448.373 2.141 30 10 IEEE Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505874 OXNXBRIKRYTICJ-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2268707699 XCOYSGJZFUEKJX-UHFFFAOYSA-N 447.341 2.081 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2F)CC1=O 2327841436 IMMIZVVDTUDJOM-GFCCVEGCSA-N 436.488 2.130 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2329175701 GEWMRBVLPCVKNW-UHFFFAOYSA-N 426.458 2.267 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@H]21 2341940760 SNGOGYCYFJHQCF-HZPDHXFCSA-N 446.357 2.323 30 10 IEEE C[C@](C#N)(NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CC1 18422445 KTWHVVOKHXBBJI-NBGIEHNGSA-N 445.475 2.246 30 10 IEEE COc1ccc(CN2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c(OC)c1OC 22808225 WELMNDPBUVZPCV-GAJHUEQPSA-N 432.565 2.273 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)ccc1F 116625283 UXZPUYRGXGCWBM-SFHVURJKSA-N 431.493 2.460 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1Br 433014871 UEGBVPSFAUQNDP-ZDUSSCGKSA-N 440.294 2.082 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465480981 BSZRWVXYSCSFKY-PGRDOPGGSA-N 446.555 2.385 30 10 IEEE CN1CCC(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)(N2CCCCC2)CC1 466150761 XOCSGYOQZBSHMD-UHFFFAOYSA-N 438.620 2.336 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 472323362 GDGOQPKSFRBNFY-LBPRGKRZSA-N 448.423 2.278 30 10 IEEE N#Cc1c[nH]c2ccc(OC(F)F)cc2c1=NCCN1CCN(C(=O)C2CCC2)CC1 477856583 SBJDHZNUNMUIEU-UHFFFAOYSA-N 429.471 2.486 30 10 IEEE Cn1cc(C#N)cc1C(=O)Nc1cnn(C[C@H]2CCCCN2C(=O)c2cc(C#N)cn2C)c1 480805584 NVBJZNJHYBLFRK-LJQANCHMSA-N 444.499 2.251 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CC[S@](=O)C(CC)(CC)C2)c(C#N)cn1CCOC 481449409 HMWWLTADGKYQAJ-PMERELPUSA-N 438.550 2.338 30 10 IEEE CN1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 497468517 GIPHGNUOZPIJAP-CTNGQTDRSA-N 433.480 2.313 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 511093543 WGEKWNWMEHTBOX-HNNXBMFYSA-N 448.449 2.463 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C(=O)Nc3cn[nH]c3)c3ccccc3)CC2)o1 527251569 PTDZMZPTFJMVKF-LJQANCHMSA-N 433.472 2.290 30 10 IEEE N#CC1(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 538493234 WBFZRSJQNPPMFP-UHFFFAOYSA-N 440.481 2.297 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)CC2)n1 546178450 POYBCYIIAYVRQW-UHFFFAOYSA-N 431.905 2.002 30 10 IEEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CCCC1 546779140 YHUQLNMKCOSPQH-OAHLLOKOSA-N 426.336 2.336 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCOC2)cc1 550092574 BGJCLYJPNLIXRY-ROUUACIJSA-N 446.577 2.040 30 10 IEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 559002540 RTTPEDAVXCAKET-NRFANRHFSA-N 425.581 2.147 30 10 IEEE COc1ccc(S(=O)(=O)N(CC#N)c2ccc(N3CCN(C)CC3)cc2)cc1OC 586229456 SXPGRRXJSLMBSX-UHFFFAOYSA-N 430.530 2.174 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)cc1 603788513 IVMYZCMHUKROLG-UHFFFAOYSA-N 449.507 2.172 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 612193285 DIZJHVXJDMWMNR-ZDUSSCGKSA-N 432.492 2.485 30 10 IEEE CS(=O)(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 619817223 TXVKNVRZQRAXDC-HXUWFJFHSA-N 436.541 2.383 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccn2)C1=O 730139782 SEUHFTZZCIMUNF-IBGZPJMESA-N 436.541 2.153 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 734290913 BIDPIEWKZCWMRB-UHFFFAOYSA-N 435.527 2.014 30 10 IEEE N#Cc1cccnc1NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 741758231 RTXZQIULTOBVSA-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CCC(=O)N2C)cc1 744144710 VTQFBSYJHIMWLK-GHTZIAJQSA-N 441.509 2.290 30 10 IEEE CCOC(=O)c1cnn(-c2cccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)c1C 746123184 ICCUQPQCYYQHGQ-QZQOTICOSA-N 437.456 2.212 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 747246597 FRJJBEFUBCWOEG-JLHYYAGUSA-N 427.526 2.497 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)CCN1C1CC1 756779953 MIMJIKBHCWULSE-KRWDZBQOSA-N 446.433 2.087 30 10 IEEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(N2CCCC2=O)cc1 756932472 ASVIESOUSFJQGH-SJORKVTESA-N 433.516 2.456 30 10 IEEE C[C@@H]1C(=NNc2ncnc3c2c(Br)nn3C)CC(=O)N1C(=O)OC(C)(C)C 766445926 AZMAXKUQHMNRMO-MRVPVSSYSA-N 438.286 2.450 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c2=O)c(C)o1 767952366 IFVSKFCOQJXWGX-IBGZPJMESA-N 449.532 2.440 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 769193288 VONFJPJHVVXOGJ-KRWDZBQOSA-N 426.521 2.059 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)c12 778498387 VDQWRRPTYHICJE-AWEZNQCLSA-N 426.498 2.074 30 10 IEEE CN(C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccccc1C(=O)NCc1ccco1 780206650 SJRZDTKHACELJX-JOCHJYFZSA-N 447.447 2.321 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 782579571 LKEZFOMJZVCJIW-UHFFFAOYSA-N 442.269 2.472 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)cc1 784126806 FTFWEQRPNZRWAU-PKOBYXMFSA-N 432.590 2.421 30 10 IEEE O=C(NCC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)OCc1ccccc1 787784634 AZTAKWPKJJEVDD-DQRAZIAOSA-N 440.500 2.068 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(Br)cc2)N(CCF)C1=O 797817831 ITMFGKOXGWYRSY-CQSZACIVSA-N 445.358 2.418 30 10 IEEE C[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)n1cnc(C#N)n1 798350005 CZCYZEJCDNKSGU-ZEVOCZHWSA-N 430.877 2.217 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(CNC(C)=O)CC1 800788206 XBVBRMBPZOQAGW-UHFFFAOYSA-N 426.521 2.243 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@]1(c2ccccc2)CNC(=O)C1 811238866 FXSASROSDMVCRS-XDHUDOTRSA-N 435.480 2.331 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)ccc2c1=O 920271934 CZVYOQYXOLFMRU-OAHLLOKOSA-N 440.500 2.084 30 10 IEEE CCCN(C(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@@H]1CCS(=O)(=O)C1 925926016 CPPBUGCXKIVISL-JKSUJKDBSA-N 447.513 2.221 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3cccs3)n2N)c1 1084361483 JGSZNFZKYGSRCG-UHFFFAOYSA-N 433.519 2.247 30 10 IEEE CC(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)CC1 1132833077 HYFUMZIQRQYCEI-LJQANCHMSA-N 431.496 2.218 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)NCCCC)CC[C@H]2C)s1 1142357752 VZTJOSYUXJYGFS-HZPDHXFCSA-N 441.619 2.298 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)n(C)c2)C1 1146220719 JOETWWBVWQGCFW-IERDGZPVSA-N 444.557 2.123 30 10 IEEE C#C[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1159762642 POBNREFDFDYHRA-NSHDSACASA-N 429.317 2.035 30 10 IEEE O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161802266 OZQDABKKRRVZCF-AWEZNQCLSA-N 425.416 2.083 30 10 IEEE Cc1cc(C)c(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c(Cl)c1 1166614806 NDRHHWNFTOSCJE-UHFFFAOYSA-N 446.891 2.132 30 10 IEEE C[C@H](CC(=O)N1CCC[C@]1(CO)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1181212321 JAFOBOCQBHOTOW-ZHRRBRCNSA-N 427.526 2.014 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1 1212497055 JSFUJUUJRLIMMH-UHFFFAOYSA-N 435.546 2.280 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCn3cnc(C(F)(F)F)c3C2)C1 1225938665 RONOCSQPYRXIBT-NEPJUHHUSA-N 428.415 2.186 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)ccc1F 1273060046 PKXORDCEQHIOSO-UHFFFAOYSA-N 431.489 2.194 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4c3ccc([N+](=O)[O-])c4F)C2=O)cc1 1273478315 YRAGHIJPRBAMGX-HNNXBMFYSA-N 437.387 2.400 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286387558 SGGIAKZATZBUMR-KRWDZBQOSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1286392992 ILPKVMRKLCVJCE-QGZVFWFLSA-N 433.603 2.032 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(C)C 1286421750 ZNRRWOGMTCIRGK-SFHVURJKSA-N 443.573 2.187 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)[C@H](C)CCC 1286516479 HCPOKUJRFBVIDX-UZUQRXQVSA-N 437.548 2.470 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286790757 WLNCGOMGDIUXKR-QGZVFWFLSA-N 432.569 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cc2ccccc2[nH]1 1286819006 WMFWLKAYSYCWBJ-UHFFFAOYSA-N 437.529 2.454 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCN1CCC[C@@H](C)C1 1290865192 MTIHFHCTUBESDU-MOPGFXCFSA-N 437.596 2.475 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1291834933 BYNAIOYOOTVIPB-INIZCTEOSA-N 425.537 2.095 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1299664111 TUZNKEHHCQUMPM-UHFFFAOYSA-N 441.509 2.367 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1300456159 WBIQFGCWCVTVEI-UHFFFAOYSA-N 432.488 2.016 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1300481942 CTNXNUFGQCBZOL-MRXNPFEDSA-N 448.545 2.008 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300743013 DTLLPJOETFGMIB-SFHVURJKSA-N 440.573 2.360 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300765499 GCAGCXNCOOVVNU-GOSISDBHSA-N 448.614 2.257 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1300895933 XIXUOZCDKZBAER-UHFFFAOYSA-N 434.566 2.099 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1300901011 VLSUPKZTVJSPKV-SJORKVTESA-N 435.598 2.373 30 10 IEEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1301279068 VILLWPHJUNMVOR-JLTOFOAXSA-N 436.603 2.303 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc([C@H](C)OC)n2)C1 1301565977 IFBMYHXWJSYCOR-RDJZCZTQSA-N 446.577 2.394 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)O 1302081580 NHODMVPFXHCFPQ-INIZCTEOSA-N 446.527 2.110 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1302195121 LQDXWOREBCWYJT-WTPASJBYSA-N 443.573 2.217 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1303567725 XVLURUXIZMSTOP-QFIPXVFZSA-N 440.504 2.185 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1304967533 DACUKBQZAPDCKZ-WZGSHADRSA-N 435.532 2.415 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1344051992 UTJINOKLPQLOAV-QZTJIDSGSA-N 448.976 2.328 30 10 IEEE COc1cc(OC)nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)n1 1354586385 HWPJZHYODQTBSO-LFVJCYFKSA-N 447.517 2.339 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](CC)C1 1358911348 RJUYDCFVYFNLFI-GOSISDBHSA-N 442.564 2.356 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1358929065 RMRLSSHIBBLAGE-IBGZPJMESA-N 439.564 2.491 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1358929885 KKJUUHKQSJTPRC-QZTJIDSGSA-N 444.557 2.260 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1358946117 JLEBXMNEDBUOKQ-QHCPKHFHSA-N 438.532 2.093 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1358999355 OGXUGSQMTZXXQQ-QZTJIDSGSA-N 439.564 2.273 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cccn(CC)c1=O 1359025044 BDPIHWYNKSFHMT-NRFANRHFSA-N 449.511 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCCCO)CC1 1359047264 XZTCLVZHSWXLNI-UHFFFAOYSA-N 448.571 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1359047648 OHTGSFGACXKUDO-AZUAARDMSA-N 431.581 2.376 30 10 IEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1359119611 DXFRVSAQENBPJW-UHFFFAOYSA-N 429.521 2.399 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359203210 KPIMXIMLCXEAGL-QGZVFWFLSA-N 448.568 2.397 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccn2C(F)F)C1 1359313430 MDLSBSXSHNFNDL-FOIQADDNSA-N 438.479 2.351 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCn2ccnn2)CCOC1 1360341142 LEPNFNYUDXOKSS-RTWAWAEBSA-N 428.541 2.131 30 10 IEEE C#CCN(C(=O)[C@@H](C)c1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 1435067909 BNNCBEFCGJCQFL-WFASDCNBSA-N 431.295 2.044 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1440424068 UURZTGGOAHLQJS-HSZRJFAPSA-N 428.533 2.228 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1454932432 QCWDBRGETHZJRN-UHFFFAOYSA-N 445.497 2.333 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1455815237 YZAUWCYULNZCJO-UHFFFAOYSA-N 439.534 2.005 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1 1457187824 NDSYBXPTAGAYIW-QGZVFWFLSA-N 435.546 2.280 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1460865665 JRQRNVDEOQTNJW-NRFANRHFSA-N 441.594 2.359 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(c3ncc(C(=O)OC)s3)CC2)c1 1473654722 NPSVBIAZNDIXKE-UHFFFAOYSA-N 426.498 2.439 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 1479060262 AIWDNYVSHPRRSM-MRXNPFEDSA-N 431.562 2.269 30 10 IEEE COCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505046396 FLUAHYJZAIJTCT-UHFFFAOYSA-N 437.504 2.103 30 10 IEEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(O)CC2)CC1 1505320370 YBAIGJQVRSHNOH-UHFFFAOYSA-N 439.520 2.440 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1507610993 KSWGNTNIXMOCSJ-INIZCTEOSA-N 428.541 2.122 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1-n1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507624583 BSPCSEIRQHOAGC-HXUWFJFHSA-N 438.557 2.064 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)C(=O)NC 1507997132 PAGHJLMYQMIZDR-UHFFFAOYSA-N 437.548 2.253 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1508014930 YIYGTSDLVJWKDG-FQEVSTJZSA-N 444.605 2.274 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC(C)(C)C2)n1 1511692574 CPRFPYLCVDNGCT-UHFFFAOYSA-N 440.596 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@H](C#N)C(C)(C)C)(C(=O)OC(C)(C)C)C1 1520630155 VSJMCHUKHYUCIC-SZNDQCEHSA-N 425.526 2.389 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCOC(F)F)CC2)nc1 1521102413 WREOLEZJOHPNFR-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 1521310012 OBTAEVHRCAZKFJ-UHFFFAOYSA-N 425.445 2.375 30 10 IEEE O=C(CCOCC(F)(F)C(F)(F)F)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1532756237 VEMRRRPJNGMOLL-NXEZZACHSA-N 426.304 2.460 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCCOc1ccc(I)cc1 1535779996 AOGZDVKDBOOBKT-UHFFFAOYSA-N 430.242 2.365 30 10 IEEE CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538540266 TWMRVNKQFPDTTI-XOBRGWDASA-N 446.529 2.323 30 10 IEEE C#CCCCn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1539141756 IEBWRFLFISUGRT-PDIWNELESA-N 445.564 2.447 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539620505 LUWBGLKJVYZCOA-ICSRJNTNSA-N 427.553 2.391 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539751805 VADCFJSWALGCAE-BHIFYINESA-N 446.640 2.370 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1OC 1539751977 YKRWHCVZIKCZSV-GOSISDBHSA-N 434.562 2.418 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539835934 JBHULNSNFUIGFD-SFHVURJKSA-N 426.546 2.255 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539998436 IMLGRVADTNCPFS-TYPHKJRUSA-N 430.597 2.127 30 10 IEEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCS(=O)(=O)C1 1540174874 SBCUEQPFKWJVKU-JOCHJYFZSA-N 441.557 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540866067 BNSRSTPXWLHGJG-BBRMVZONSA-N 439.438 2.412 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(C)cccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1540876338 ODHQTBNCLSUUAF-DEOSSOPVSA-N 439.560 2.492 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SC)c2)C1 1540881837 UKTQUHDETBETIX-KRWDZBQOSA-N 428.562 2.461 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1540907060 KPMMYJUIVULMPT-HWWDLCQESA-N 449.602 2.105 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C1CC1 1544581855 AIZOTUFLPSAWHR-IAGOWNOFSA-N 437.596 2.435 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)CC1 1547728742 QGVYXNKZYFJNTB-DENIHFKCSA-N 437.592 2.315 30 10 IEEE CCOC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1547932274 IAFPAFNXGFDOBM-MRXNPFEDSA-N 444.561 2.348 30 10 IEEE COc1ccc(COCCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1554953089 KMVMVSJTDZCVPF-NRFANRHFSA-N 434.500 2.218 30 10 IEEE C#C[C@@H](CO)NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 1556794567 KLRASSBYNRPKIM-HNNXBMFYSA-N 446.916 2.354 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 1557482138 JMCPQIMOSAHYQI-XZOQPEGZSA-N 438.549 2.209 30 10 IEEE C#CCN1CCC(C(=O)N(CC)[C@@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1557518158 WYXFYXVLNNRPRT-IBGZPJMESA-N 448.608 2.038 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCC[C@H]2C)c1 1587690061 YFVRHNVXHGJKIY-OSPHWJPCSA-N 447.543 2.286 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H](C)C1 1587931962 GWGPSKINLMVKDG-IAGOWNOFSA-N 431.562 2.080 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1CCN(CCN(C)C)CC1 1588113672 PPBJNRODVBZLDB-UHFFFAOYSA-N 434.588 2.300 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1C(C)C 1588228822 MNNSDLWACOQBMS-AQNXPRMDSA-N 432.590 2.094 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(CC)CC)CC1 1588791519 XVOLVTCVTWNMLG-IBGZPJMESA-N 438.576 2.202 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1593764084 XFPTXBBCGFCDBH-FQEVSTJZSA-N 443.596 2.426 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1594608601 QSQIZAQSRCTQKD-MRXNPFEDSA-N 437.548 2.367 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1594980203 BTSTWBNIKHXCCU-UHFFFAOYSA-N 431.544 2.235 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@@H](c2ccnn2C)C1 1617863579 FHQRPRCFAQIVTG-QGZVFWFLSA-N 449.305 2.432 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1617915407 AMYXWTFGBWTBCM-OALUTQOASA-N 427.501 2.038 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CC4CCOCC4)CC3)C2)C1 1618016203 MMSUEJVCEJKXJE-ITGJCUMNSA-N 446.592 2.344 30 10 IEEE C#CCN(C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)[C@@H]1CCS(=O)(=O)C1 1625620062 QLKSNARQHAVGSR-CYBMUJFWSA-N 440.934 2.425 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@@H]([C@H]2CCCO2)C1 1626557021 JKRVNUXOAATUQN-BHIYHBOVSA-N 430.505 2.030 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C)c2I)c1 1627837110 RGALJLGXHQYALV-UHFFFAOYSA-N 446.270 2.039 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3CCNC3=O)c2C)s1 1639568150 FJFUKKMPDRBZPV-UHFFFAOYSA-N 434.543 2.232 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1639840409 LWDCZPGFBDROAF-QGZVFWFLSA-N 430.526 2.333 30 10 IEEE CN(CC(=O)N1CCC(Nc2ccccc2C#N)CC1)C1=NS(=O)(=O)c2ccccc21 1642527949 PYHUETJUXNHYTI-UHFFFAOYSA-N 437.525 2.042 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@]3(c4cnn(C)c4)CCCO3)ccc2c1=O 1646419080 AHMNDBBJNDRGPP-NRFANRHFSA-N 425.514 2.040 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NCc1ccc(OCCN2CCOCC2)c(Cl)c1 1656933060 CBRXYQIEQHUVJB-UHFFFAOYSA-N 446.939 2.094 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)n(Cc2ccco2)c1C 1660045931 LOPUFHCSPIJKHN-PMACEKPBSA-N 442.516 2.409 30 10 IEEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1672068249 AJTBTGNMJLPLDN-UWJYYQICSA-N 442.541 2.398 30 10 IEEE C#CC1CCN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1679142795 GMLKLORBBJCXPE-UHFFFAOYSA-N 449.573 2.159 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCCCn3cc(Br)cn3)CC2)cn1 1680753558 UAFSHCBKLZMOJX-UHFFFAOYSA-N 432.326 2.224 30 10 IEEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)NCC(F)(F)c1ccc(F)cc1F 1685006091 KWXPBNJLMUPWJK-UHFFFAOYSA-N 442.291 2.381 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)Br 1689839885 OFUPPIVLYWYGON-LLVKDONJSA-N 437.252 2.366 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1689943676 ZIPCJQGKZOTIDQ-SFTDATJTSA-N 437.544 2.378 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@H](C)C1 1690170409 HWOSNMPGUGRYTF-MRXNPFEDSA-N 438.557 2.174 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690480333 FRVUDNXKWJHVFQ-IAGOWNOFSA-N 448.593 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C)C(=O)[C@H]1C 1690663188 OVEHRZVWSYXHBW-HUUCEWRRSA-N 442.589 2.101 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690676209 SPQJIXOQBCUWDD-YLJYHZDGSA-N 441.532 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690728896 AJHRVVSOPFSXPJ-XLIONFOSSA-N 448.589 2.282 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691035081 SUFXDZJXCLXGDU-UHFFFAOYSA-N 446.515 2.037 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)OC(C)(C)C)n1 1693428140 STNQRBVJEASRBU-NRFANRHFSA-N 446.531 2.497 30 10 IEEE CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1695517670 VEBHBMVSPHOGRA-VZCXRCSSSA-N 432.488 2.113 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1705550403 YMFAIOCRGSTCBW-UHFFFAOYSA-N 434.529 2.147 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCSCC1 1705593614 GFQUJJQDEOCGDW-UHFFFAOYSA-N 437.569 2.228 30 10 IEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705721551 IKLPBABEICUSRB-IRXDYDNUSA-N 439.557 2.308 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1705828362 LEUVOPPTCNRVMP-UHFFFAOYSA-N 440.577 2.415 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1705856552 WUHHKQKZKXFHDK-JOCHJYFZSA-N 448.589 2.326 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1705861412 FFBYHQKLOLJNRR-UHFFFAOYSA-N 432.528 2.315 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705898362 JHBJYCKKDYNLLZ-KXBFYZLASA-N 429.521 2.126 30 10 IEEE CCN(CCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1710142144 CBHJMERDJMQCSD-PXNSSMCTSA-N 438.598 2.321 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722354753 XVXZTCMSSQJOHB-UHFFFAOYSA-N 434.569 2.349 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722367739 NWXIOBWHFOHCFO-FQEVSTJZSA-N 443.573 2.110 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCN(C)C1 1722422386 RFBGBRKNVXMMQJ-CVDCTZTESA-N 427.524 2.018 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N(C)C)cc2C)CC1 1722431104 MCASRDBNPVHWQU-FQEVSTJZSA-N 440.592 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCCO)CC1 1722443231 PWDAHTUCAGCDOI-UHFFFAOYSA-N 430.940 2.122 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722698606 IOZSORUAWAJNHY-UHFFFAOYSA-N 446.625 2.300 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(Cl)ccn2)nnc1[C@]1(OC(C)C)CCOC1 1722704326 QZGIPIXSMAJDEO-NRFANRHFSA-N 448.955 2.306 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(-c3ccccc3)c2)C1 1722708946 GXEAYHTXCRHVIW-HXUWFJFHSA-N 435.532 2.432 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1723837362 DZWLKAOQUKILLL-SIKLNZKXSA-N 437.592 2.316 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[C@@H]2COCCO2)CCO1 1731188025 BCQFSZIELJMTMJ-HUUCEWRRSA-N 448.321 2.242 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1740656739 RLWYLZHQDGBPCR-OAQYLSRUSA-N 425.577 2.280 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1C 1740673390 SHLIRJBZBDJHBB-UHFFFAOYSA-N 446.603 2.193 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1740726070 XQQRZEVCIITCTO-BFUOFWGJSA-N 434.591 2.263 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1740729172 AAANFNSTWAMMKE-OAQYLSRUSA-N 426.546 2.310 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CCC1 1740900193 WCGOQKJOKHBHFS-SSEXGKCCSA-N 429.594 2.376 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740957720 YOTHMAAZUIXUDS-UHFFFAOYSA-N 429.431 2.275 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nnc(C)s2)C1 1740973496 YGWYDTPIRKQQSH-OXQOHEQNSA-N 434.566 2.114 30 10 IEEE C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCN1CC(F)(F)F 1743272114 SJZMNLOFVBMVMJ-ZDUSSCGKSA-N 434.426 2.264 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](F)COC)c2ccccc2c1=O 1746470612 LIMLQGZLJRGQBU-LSDHHAIUSA-N 427.484 2.255 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748821270 NYJYHMYCAUAOGO-IBGZPJMESA-N 446.621 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1748839593 YUMXBOMEOMSCGZ-QHCPKHFHSA-N 426.524 2.486 30 10 IEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749204008 RPQSIAHBXBXBPC-UHFFFAOYSA-N 440.548 2.316 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C(C)=O)CC1 1749590163 QYELQVLALKSTTL-OAQYLSRUSA-N 442.564 2.122 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(=O)OC)C1 1749664675 WNRPZSUQQSMEEY-CYBMUJFWSA-N 448.321 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749664801 ZZQSQFVBDWFBPG-CQSZACIVSA-N 439.969 2.160 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccccc2C1 1749721923 WOUWCEAVSBZUKP-UHFFFAOYSA-N 438.513 2.046 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC2CCOCC2)CCO1 1750388862 UBXLXSZBADZBBE-LJQANCHMSA-N 429.496 2.322 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)c1 1751407279 NWHGUWUWFVTELL-IBGZPJMESA-N 431.562 2.318 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1751587925 GADHGZMNWOHLHM-OALUTQOASA-N 442.589 2.328 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCOC2)c1 1760124886 CQKZVCSLEYBDJS-SFHVURJKSA-N 431.500 2.218 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1760133714 NPQCNJRHBKZZKI-SFHVURJKSA-N 434.504 2.114 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760181807 BRMHOCLGKGCXHO-SFHVURJKSA-N 430.574 2.454 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1760188196 NHSJYIGIMUHSLE-MSOLQXFVSA-N 438.594 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccc(F)cc1 1760211784 MFYWCPGVFSTGCM-RPWUZVMVSA-N 440.519 2.440 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1cccn1 1760218981 RCMHJOLBYZLOHV-UHFFFAOYSA-N 443.559 2.202 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1760263758 NUTIZOLKVMJRRL-HXUWFJFHSA-N 438.576 2.105 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCCN2CCC)CC1 1760272070 XIZSZZOOSZTUTP-NRFANRHFSA-N 426.609 2.461 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760441794 UXHAKJRHOXDUGR-UGKGYDQZSA-N 437.592 2.219 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1760698038 BEOOXVSRGCTLIU-MRXNPFEDSA-N 443.577 2.268 30 10 IEEE CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1764060097 GIMYJAWVDKMXAN-NEWSRXKRSA-N 431.585 2.105 30 10 IEEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769276057 GJDRUGAZMBHYSG-HNNXBMFYSA-N 440.458 2.057 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1cccc(C(N)=O)c1 1769983617 OYMQOLZKKLCQHK-QGZVFWFLSA-N 440.548 2.474 30 10 IEEE CSCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1771464916 PQLAHLIMJIGDJO-INIZCTEOSA-N 435.575 2.221 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)C1 1771528390 AGLLQKQEWSJROH-JOCHJYFZSA-N 437.454 2.280 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccccc3)C1)CCC2 1852364937 DTLAGWVZCMZJDO-INIZCTEOSA-N 427.530 2.325 30 10 IEEE Cn1ccnc(N2CCC[C@@H](N(Cc3c[nH]nc3-c3ccccc3)C(=O)CC#N)C2)c1=O 1853488234 UWMTVSLXIIBLIJ-LJQANCHMSA-N 431.500 2.082 30 10 IEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1 1868808692 DFBFIIFZHRRPLK-UHFFFAOYSA-N 438.572 2.454 30 10 IEEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873594556 WSNFBAWNMOUVKY-SFHVURJKSA-N 426.565 2.306 30 10 IEEE NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(O)c1 1874262986 AYLXEMZXSULSCT-ODCIPOBUSA-N 433.877 2.381 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)cc1 1874350501 PMRCPQMDTJNPLK-SSDVNMTOSA-N 425.470 2.035 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)ccc1OC 1874469476 HXUIMNFHUYDZPD-FYJGNVAPSA-N 435.550 2.327 30 10 IEEE CN(c1ncc(Br)cn1)[C@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 1890825216 BFNPVUFRBNVKKX-HNNXBMFYSA-N 436.335 2.400 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 1892074708 KGLJYSKTEMDOCV-KRWDZBQOSA-N 434.499 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCOC1 1964763750 MILOYCAPNGBCRX-ZCNNSNEGSA-N 428.533 2.153 30 10 IEEE CC(C)(C#CC(=O)O)NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2023917905 SLKGLPAZDOJDLT-QHCPKHFHSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060638397 WNMQSAJIICZOKS-IRXDYDNUSA-N 432.326 2.295 30 10 IEEE N#Cc1cc(-n2nc(C3CNC3)c(Br)c2I)ccn1 2070634327 TVPCUGGWOPMYIB-UHFFFAOYSA-N 430.047 2.193 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1nc(C)n(C)c1Br 2076357888 YWXZFFYAMNODGX-UHFFFAOYSA-N 437.360 2.240 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)cn1 2174783240 ABBHBSUICDTCKT-UHFFFAOYSA-N 432.477 2.372 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(C#N)c(Cl)c2)s[nH]1 2187515328 HDJWLKHCWSEOOO-UHFFFAOYSA-N 429.911 2.311 30 10 IEEE CC[C@@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243390337 SWYUSPIPKJPOPJ-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247921336 NIGDRPXGWONHTD-TZMCWYRMSA-N 437.371 2.475 30 10 IEEE Cc1c(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255632633 PFRIQVGVCJUSIF-STQMWFEESA-N 436.362 2.059 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2255705107 QEVOFYFGUXDLPY-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)C[C@H]2[C@@H]1CO 2255823365 UFHOPXWWYWKKEO-XHSDSOJGSA-N 436.358 2.299 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827938 ABNLSYBGCTYFFI-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2255878267 WARCWPXGEIBWIY-UHFFFAOYSA-N 435.330 2.088 30 10 IEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267008004 BRSKIYQJFDJRLZ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267008169 COCJAZDMWIPZFH-SHTZXODSSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nc(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267107267 LCTNVYPERIECPC-AWEZNQCLSA-N 445.329 2.493 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2267127481 RVAZSNKZBBXDMQ-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2267132823 VAKVKHSCFFXUOV-MRXNPFEDSA-N 435.337 2.455 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267281029 RVCSYXAVPTYHMI-IBGZPJMESA-N 439.365 2.125 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2267493434 ZQGDSGLVCXVLCM-CVEARBPZSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267597422 VAYGOMKGIDMHDQ-ZVZYQTTQSA-N 443.353 2.366 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2317164550 ARNOJYCKDGCEIC-QGZVFWFLSA-N 431.342 2.179 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2329034780 AEEYXSVMMUXCPI-AWEZNQCLSA-N 446.489 2.058 30 10 IEEE COCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(O)cc1O 2331241550 WHQSCMQGRZNGFD-UHFFFAOYSA-N 427.486 2.491 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2337283937 VIAYIAOIFMPQPE-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE N#Cc1ccccc1Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21 2466800 APBKIOVFOYUJKG-UHFFFAOYSA-N 434.477 2.444 30 10 IEEE Cc1nn(C)cc1/C=N/Nc1nc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 20424336 FCNZYELIYLRKJT-GIJQJNRQSA-N 429.466 2.322 30 10 IEEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1 102722590 LBYQSILYMMGUAU-GOBJLOIFSA-N 426.469 2.432 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1OC 103125119 WEJCWXYUYOUUFG-VZCCSQPZSA-N 433.482 2.196 30 10 IEEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(c5ccc(N(C)C)cc5)CC4=O)nc3c2)CC1 170178729 FRIFMWPDFMRFHJ-UHFFFAOYSA-N 431.544 2.097 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(COc2ccccc2C#N)o1 439895576 AVQMMLTWQHGWLL-YKCBXCCJSA-N 438.436 2.295 30 10 IEEE CCOC(=O)c1cnc(N2CCN(C(=O)CCc3c(C)nc(O)c(C#N)c3C)CC2)s1 464684705 HLYGJIIHXCXHGB-UHFFFAOYSA-N 443.529 2.190 30 10 IEEE CCc1c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 514006683 PIADMEYBDHCTCM-HKUYNNGSSA-N 431.496 2.107 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 518688967 ZRJNQLLUONTGJQ-HXUWFJFHSA-N 426.448 2.345 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 535137377 JNOLXSKSZXIQTK-UHFFFAOYSA-N 446.475 2.013 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)CC2)n1 546924914 NZCUFPGLDMSZCT-UHFFFAOYSA-N 433.472 2.285 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2nccc(OC)n2)CC1 555256740 QJRPHXYTTHDTGZ-UHFFFAOYSA-N 449.515 2.418 30 10 IEEE CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1C 609944872 ZGJLVBNVHLLZSE-UHFFFAOYSA-N 432.477 2.412 30 10 IEEE N#Cc1ccc(OC2CCN(CN3C(=O)C(=O)N(CCc4cccs4)C3=O)CC2)cc1 728903705 VAJFZDMHJIYQQC-UHFFFAOYSA-N 438.509 2.454 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCc3noc(Cc4ccccc4)n3)C2=O)cc1 733831308 RDAAOLTVPJEBAB-GOSISDBHSA-N 445.435 2.480 30 10 IEEE N#C[C@@H]1C(CN2CCCc3c2cccc3S(N)(=O)=O)=CC(=O)n2c1nc1ccccc12 754660641 QGDAJLXGOKRWDJ-MRXNPFEDSA-N 433.493 2.324 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(F)cc2Br)c(=O)n1C[C@@H]1CCCO1 767872485 QDYNUJOHGUCTTH-AWEZNQCLSA-N 434.290 2.017 30 10 IEEE COc1ccc(C#N)cc1COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 772283662 LBFQONBNXYWDFV-QHCPKHFHSA-N 437.452 2.394 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)c(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 779506448 WSUOBDVYQUSSEG-NSHDSACASA-N 431.308 2.121 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)n1 788589784 QZIIYPOUCHLJGV-UHFFFAOYSA-N 441.513 2.392 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CSc2nncn2-c2ccc(C)c(C)c2)n1 788812834 DRTNTMDUVTVGHV-UHFFFAOYSA-N 438.557 2.481 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCc2cscn2)C1=O 790727213 XEFZCMUGRCAZMQ-OAHLLOKOSA-N 437.616 2.447 30 10 IEEE C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 795184723 WRZXNNHHHGOAKP-QIIPPGSGSA-N 432.546 2.213 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802578679 XQBZUJCBCLWVCK-FDDCHVKYSA-N 437.500 2.321 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)c1 807929030 LYUCEZPDYIKDKP-IBGZPJMESA-N 430.574 2.341 30 10 IEEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1ccc(Cl)cc1 812350793 BAKPHDCCGXDIQG-KRWDZBQOSA-N 432.885 2.235 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)c1 1083957923 SRKXWHDOTXCXOA-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)cc1 1083990517 RIAFRQXXYUZIPF-UHFFFAOYSA-N 442.549 2.488 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(CS(=O)(=O)CC)cc2)ccc1F 1129929581 HIMZSMYDLPDIKN-UHFFFAOYSA-N 440.518 2.477 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)C(F)(F)Oc4ccccc43)c2C#N)C1 1131605609 FGQWAYMPEQYUHB-UHFFFAOYSA-N 446.435 2.481 30 10 IEEE N#Cc1ccc(C2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCC(N)=O)CCCC2)cc1 1137272874 LUJQACFTGWRFQN-OAQYLSRUSA-N 432.524 2.089 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCOc4c(F)cccc43)CC2)cc1 1141413956 NQDOFRNUBSMUCM-GOSISDBHSA-N 429.473 2.097 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cccc(F)c3)CC2)s1 1153249450 KRQHOIMUKWZZND-UHFFFAOYSA-N 437.562 2.238 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)ccc1F 1158017357 HUBPGCAILJYZHA-CVEARBPZSA-N 439.509 2.124 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 1170943235 QHDQREIHWQVFIZ-RXVVDRJESA-N 425.554 2.096 30 10 IEEE CC(=O)[C@@H]1CC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)=NN1c1ccccc1 1184273698 VATKLHGUNRWETO-FQEVSTJZSA-N 434.452 2.114 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCCc1ccccc1 1286363689 WSFYZFZJMPLQBL-UHFFFAOYSA-N 441.333 2.464 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1286382684 BHRAJLFFTCAGJG-JXXFODFXSA-N 436.603 2.388 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)CC1 1286476687 DWAVCNORYLOBLU-UHFFFAOYSA-N 433.535 2.366 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCOC[C@@H]2CCCO2)CC1 1286489884 DJKDJIKMIXUREK-NRFANRHFSA-N 443.592 2.487 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1286777714 JXKWOUNIIJPQPB-JOCHJYFZSA-N 429.496 2.218 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nnn(C)n2)C1 1286800338 JTEJKYLBGICCKS-QZTJIDSGSA-N 438.536 2.388 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C#N)CC1 1286815108 LPKWFCYSMOTTOV-UHFFFAOYSA-N 445.545 2.303 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCO1 1287016790 BTJNRXXJZICJBC-MRXNPFEDSA-N 432.475 2.449 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1288353901 AZWCMERITWMMJT-JTDSTZFVSA-N 438.546 2.112 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@@H](C)O1 1291279116 IRXHRSWGFGRBMZ-QZTJIDSGSA-N 441.532 2.274 30 10 IEEE CCc1nnc(N2CC[C@@H](COc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1292969175 QZJWPSMDHMRUCX-KTVWJZFRSA-N 436.516 2.272 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296123833 CNHLPQYKJHLZGS-WZONZLPQSA-N 436.539 2.285 30 10 IEEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1298903657 ZFOOIGAPPLIXDY-ZYHUDNBSSA-N 445.833 2.312 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1 1299401691 DJYOWJDTFZYNSQ-QZTJIDSGSA-N 425.489 2.155 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC=C)CC1 1300683502 OTOYQOGGFDXVGO-KRWDZBQOSA-N 442.951 2.129 30 10 IEEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1300697378 BWEWVZKIJVBYLO-UHFFFAOYSA-N 425.533 2.375 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300843356 AFRWMIHJSKXWOC-AWEZNQCLSA-N 425.375 2.101 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1300876257 RSGVTDPCMXQLMQ-PXNSSMCTSA-N 446.596 2.283 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSCC(F)(F)F)CC1 1301065636 IBZOPMMPOBXOER-GFCCVEGCSA-N 427.518 2.340 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301259739 NHQQMRPRQSWOJX-RTBURBONSA-N 425.533 2.185 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301520868 RLACNGIXKMIAHE-OAQYLSRUSA-N 449.559 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C)C1 1301568398 GCNKEUMOJDWVDR-HZPDHXFCSA-N 438.525 2.383 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)[C@H](C)O)ccc1Cl 1301673636 ZGTWSKAKHLWKFH-KBXCAEBGSA-N 438.933 2.193 30 10 IEEE COCCOCCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302224119 KRIOEYPFJRSCGQ-UHFFFAOYSA-N 438.463 2.282 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1302321397 NZNXGOCDWOQGNW-UVDDSOTQSA-N 443.573 2.360 30 10 IEEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CC1=O 1307062965 XVXIBPMZZDLJHV-UHFFFAOYSA-N 449.515 2.448 30 10 IEEE COc1cc(CN2CCC(O)(COCCO)CC2)ccc1OCc1cccc(C#N)c1 1308089899 PXAIEEOYLKUVGO-UHFFFAOYSA-N 426.513 2.482 30 10 IEEE Cc1ccc(-c2csc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1C 1308128607 SNZFVMHKGJUQCU-OXJNMPFZSA-N 430.555 2.236 30 10 IEEE CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1312575671 GWBDEKODQBGGRP-MRXNPFEDSA-N 431.493 2.282 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1315813301 BTMKQXSGMQYASX-ROUUACIJSA-N 426.496 2.296 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315820362 YXOVOWKUBUTZHU-GOSISDBHSA-N 436.495 2.226 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)C1 1325293469 JIJCUVCKEVSMMX-GFCCVEGCSA-N 437.345 2.426 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359031335 YMENHUUOSXNEJW-IBGZPJMESA-N 447.992 2.321 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1359039212 ZWCJAFWTCADSKW-RUZDIDTESA-N 448.571 2.425 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359067687 XWVRUEGCANKEKI-HTAPYJJXSA-N 443.573 2.227 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1359260383 CGSJBPBXJAKLAR-BJLXPSRBSA-N 431.537 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335878 XLUNPPHWMDIMRC-ZWOKBUDYSA-N 426.583 2.012 30 10 IEEE COC(=O)c1c(F)ccc(F)c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1439456226 SCJRUTIPZLTOOV-HNNXBMFYSA-N 442.378 2.467 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1ccc(Br)cc1 1450279225 XOLCMQRNVDQKTG-HNNXBMFYSA-N 425.279 2.357 30 10 IEEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)CC1 1463689744 FGRPWMMOKVCQBQ-UHFFFAOYSA-N 435.271 2.064 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CCN(C)CC1 1469996897 KLFVZWRPSPLZKK-SFHVURJKSA-N 433.350 2.293 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1470231835 XQRIQXCEGRGWCH-UHFFFAOYSA-N 427.526 2.283 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1473615298 ZMKPPLPIRGSQML-AUUYWEPGSA-N 426.439 2.331 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)ccc2OCCOCC)CC1 1475509837 BCTFBILEYVQTTL-UHFFFAOYSA-N 432.336 2.013 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1503731563 DJINTPVLTMBJFU-WMZHIEFXSA-N 436.516 2.384 30 10 IEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C)C2)CCOC1 1504053615 DXIMCHHVQYMKIG-JKSBSHDWSA-N 427.505 2.148 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507614917 IUWZAAFLWCJBKI-HXUWFJFHSA-N 426.540 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1OC 1507646720 XUOHGOZYRBPWHX-SIKLNZKXSA-N 438.528 2.477 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nc(C)c(C)s1 1507701790 BAXUTZCVOVOYGS-UHFFFAOYSA-N 439.545 2.327 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1508160040 CSWXPJNNHSYZNE-INIZCTEOSA-N 426.608 2.249 30 10 IEEE CCc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513892319 CNNMAUPVQBAIPC-XTPAXOCXSA-N 428.537 2.010 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1521759088 GWMWMXAWVMUJDJ-OALUTQOASA-N 444.532 2.488 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1537470976 CQACKICFPMKSSM-NPYXIHBLSA-N 427.567 2.436 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1539003814 QPOSXKSIXDZTFR-INIZCTEOSA-N 426.521 2.256 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](OC)C2CC2)c1 1539040510 UWEQNOGOMNMXSK-HXUWFJFHSA-N 431.500 2.216 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1539194634 CWGCHHMHIMOTPI-DQRAZIAOSA-N 434.500 2.015 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216310 QCNVJUGHNIYESW-ZWKOTPCHSA-N 433.603 2.147 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539221010 XUAIFKOZMLISIV-SFHVURJKSA-N 448.564 2.494 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCSCC2)CCCCC1 1539230025 BAZCTPLTKIFSEG-UHFFFAOYSA-N 442.633 2.241 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)c2ccco2)CC1 1539452435 SVFADJQXFJSGMG-HSZRJFAPSA-N 441.482 2.403 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1539621775 SKAPQRIYRSSNFB-PKOBYXMFSA-N 434.562 2.416 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539640525 IONMUARLIUFWQQ-GHTZIAJQSA-N 440.548 2.153 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(OC)C1 1540866442 NGVBLKHKPXUGSY-UHFFFAOYSA-N 438.301 2.374 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1540888740 XMKKLNRTOBFMIA-HNNXBMFYSA-N 425.468 2.019 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1541117355 DSMFENFQSQPZRZ-WBVHZDCISA-N 437.470 2.123 30 10 IEEE Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1542302744 CUXPIMSKBYWMFV-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)cs1 1542925699 DPCGXJPEASKXAI-VQIMIIECSA-N 429.594 2.485 30 10 IEEE C#CCOCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1546128580 FKHLDNLAGGPXGL-UHFFFAOYSA-N 437.861 2.429 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1546838733 BFWIWSSATVBHRP-HSZRJFAPSA-N 432.532 2.484 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2Cc2ccc(Cl)nc2)cc1 1555991125 PLOUZUXQUMQOFQ-UHFFFAOYSA-N 442.932 2.394 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3N(C(=O)OC(C)(C)C)CC34CCCC4)CC2)c1C#N 1556216945 KIRJFWQHGAIRFP-GOSISDBHSA-N 442.564 2.429 30 10 IEEE C=CC[S@](=O)(=NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1558718428 HJNGZHDYJIKGIY-XGCWNURASA-N 442.946 2.219 30 10 IEEE COC(=O)[C@H]1CN(C(=O)NCc2ccc(C)c(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1565326723 FYAFACZKIGFWMI-GOSISDBHSA-N 442.516 2.418 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3ccc(S(C)(=O)=O)s3)c(C#N)c2N)cc1 1587340778 GODOOEHIGXLHSP-UHFFFAOYSA-N 443.554 2.462 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1587561977 JOOJCRUHUZYVDT-CVEARBPZSA-N 428.562 2.379 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1587975138 PFNVJBRSKNBVQG-UHFFFAOYSA-N 447.543 2.051 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1588265478 BKEVEHNFVGGBSS-CYBMUJFWSA-N 429.468 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)O)CC1 1588961884 PUDJVCJVOBNEKL-UHFFFAOYSA-N 439.560 2.211 30 10 IEEE CC(C)(C)c1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)on1 1597174851 KXEQTKDBRAWYGE-OAHLLOKOSA-N 432.550 2.254 30 10 IEEE Cc1cccc(CS(=O)(=O)CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1611648837 KVUYAQWXZNWYAY-UHFFFAOYSA-N 444.509 2.204 30 10 IEEE Cc1nc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)n[nH]1 1612417420 COSNHAKOCLYNLK-CYBMUJFWSA-N 441.927 2.269 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1620002161 OLXOTUMBKWIAST-VGSWGCGISA-N 428.537 2.188 30 10 IEEE COC(=O)C1CC2(C1)CN(C[C@H](O)COc1ccccc1C#N)C[C@H]2C(=O)OC(C)(C)C 1620571662 BTWASRRAMWPAEZ-FZQSFKQPSA-N 444.528 2.141 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1620604894 VCTQTPAZJSCXTG-CYBMUJFWSA-N 425.482 2.204 30 10 IEEE CCOC(=O)C1=C(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)NC(=O)N[C@@H]1c1ccco1 1620623714 FJVCIPNHTSEUKF-TZIWHRDSSA-N 436.468 2.396 30 10 IEEE C[C@@H](CC(=O)N[C@H](C)COc1c(F)cccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1629057795 MXLIFPNNNZIHKY-QWHCGFSZSA-N 437.468 2.366 30 10 IEEE C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Cl 1630625255 GKEFRBXBJCPEDY-GFCCVEGCSA-N 429.864 2.127 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1632064195 BMSNNWPSJWSJOL-MRXNPFEDSA-N 429.514 2.339 30 10 IEEE Cn1nccc1[C@@H](O)C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1633706906 FEFUIUBFOYEEMX-IBGZPJMESA-N 433.306 2.405 30 10 IEEE C[C@](CO)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 1635484720 FROHTMLCXIXTJI-GOSISDBHSA-N 442.324 2.167 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)C#Cc4cccs4)C3)[C@@H]2C1 1636432582 NKRBSVVFYCXTDY-OIISXLGYSA-N 431.514 2.141 30 10 IEEE Cn1ccnc1[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(C)(C)CO 1640112466 CFOLUHUOUWBPTK-LLUXXFGUSA-N 445.564 2.383 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc(Br)cc3C#N)C2=O)cc1 1640188888 MGKAGSZOJMAQJY-IBGZPJMESA-N 443.257 2.441 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)Cc2ccccc21 1641293676 CMHWJIXWLRCZJB-UNEBPCJRSA-N 425.485 2.371 30 10 IEEE Cc1csc(C[C@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1645625342 FJYUAOHZMNFWFY-NVXWUHKLSA-N 432.571 2.471 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)CC1 1647826021 RQYVKMPZNWNATL-LJQANCHMSA-N 440.523 2.141 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)COCCO1 1649540439 VYIFKFDEGPXRGY-OAQYLSRUSA-N 448.593 2.446 30 10 IEEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)C1 1657626123 HZLXBJZSKWVRKN-UHFFFAOYSA-N 433.578 2.017 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1c1ccncc1 1659975894 YXKBYJBAAPKUBC-CVDCTZTESA-N 436.535 2.140 30 10 IEEE COc1cc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1OCCO 1675532093 GRUSNUOJHJIYOL-UHFFFAOYSA-N 438.528 2.402 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 1682385536 XZTMELLQEIKODQ-UHFFFAOYSA-N 434.544 2.211 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1)C1CCOCC1 1684036397 PDPQIYWITKBDRF-OAQYLSRUSA-N 433.574 2.083 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689888426 IPXPKLKETTUHMS-QZTJIDSGSA-N 428.537 2.090 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1689984375 OJRHHSFHGHNFKD-IBGZPJMESA-N 440.525 2.014 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1689993745 KMZSYBCUWFXUTB-KRWDZBQOSA-N 436.603 2.372 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C1CC1 1690060999 OGKZKZURYFTLMW-MRXNPFEDSA-N 443.621 2.489 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOC(C)(C)C 1690101317 WTUIBCOGDRDKDS-UHFFFAOYSA-N 438.532 2.093 30 10 IEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)N(C)C)CC1 1690411012 CULVMTGQSTUNRW-UHFFFAOYSA-N 438.580 2.333 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690500584 ZQDZPOUACJKPEY-NRFANRHFSA-N 442.476 2.477 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@H]1CC 1690503884 QWZMASZNZFLUKV-QGZVFWFLSA-N 427.505 2.024 30 10 IEEE CC(=O)N1CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1690826015 VAYUTAOFUJGZGD-UHFFFAOYSA-N 434.500 2.471 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)N1CCOCC1 1691870709 HJUQPNBANHZIIU-UHFFFAOYSA-N 438.580 2.106 30 10 IEEE CCN(CC)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1695658178 AZHFHEQKGSKXOT-KRWDZBQOSA-N 433.944 2.081 30 10 IEEE COc1ccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1697462180 OPGGQLUUFJMBFT-NHCUHLMSSA-N 430.484 2.213 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)COC 1698158818 XYTNQKCSFZLILF-OAHLLOKOSA-N 444.536 2.210 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1698294386 HOIJWNORXSTQBJ-KRWDZBQOSA-N 426.502 2.257 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)NC)CC1 1705636069 WUWXMHXARHZTBC-MRXNPFEDSA-N 426.590 2.023 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1705704193 RFUDTKGCCIERNL-ICSRJNTNSA-N 443.596 2.207 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705736928 GMEFZWKPURGDKD-HXUWFJFHSA-N 432.613 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1705899953 LPUZHXOSNRNRKD-SJORKVTESA-N 427.553 2.097 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1706060403 RWJHXHBHPDNJOP-LEWJYISDSA-N 449.559 2.086 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1706076510 FGJFIYPSBSSOHY-CJNGLKHVSA-N 429.912 2.106 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCCC2)CCOC1 1706678100 BSOUFVJXIRYIPF-OFNKIYASSA-N 446.596 2.312 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1 1711203891 PXNXDDCIROJGDH-UHFFFAOYSA-N 447.952 2.238 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722315310 KYEKMFIIDJSARX-IAGOWNOFSA-N 427.578 2.372 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722371822 YRIDQVSOIFYYKE-QWHCGFSZSA-N 438.497 2.009 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCCC2=O)c1 1722393895 KCXATKIGOATEBP-UHFFFAOYSA-N 425.496 2.373 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)c(F)c1F 1722419187 RDGLEAMPIHBIPG-UHFFFAOYSA-N 435.450 2.260 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccccc1Cl 1722425057 KNOYHDDYHUNZST-NRFANRHFSA-N 428.924 2.326 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722592250 WPBOOMSGLBNEIB-UONOGXRCSA-N 442.486 2.336 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NCCC)C1 1722715231 MSKZXFUHXAKHJQ-QGZVFWFLSA-N 427.505 2.371 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1722869697 RCQVLJHFENFMBF-FUHWJXTLSA-N 430.578 2.085 30 10 IEEE CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1723406390 BITGQMLCLRSIDL-KRWDZBQOSA-N 427.509 2.107 30 10 IEEE Cc1ccc(OCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1724447533 CADWTFKXNDGGEJ-NZQKXSOJSA-N 441.532 2.435 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1[C@]1(OCC)CCOC1 1740597595 VZXYMBHNSKXHSW-VGSWGCGISA-N 444.536 2.428 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622401 CNHQFRDQPVEECO-AZUAARDMSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1740637164 SBBXTWKCERGLJG-LJQANCHMSA-N 429.528 2.287 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740794086 PBIVAZCRZRNVLE-KRWDZBQOSA-N 445.593 2.267 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1740863874 HSIHCSOLVHYQCB-DLBZAZTESA-N 443.639 2.299 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1740941499 MOBQSEUHTQMADQ-OALUTQOASA-N 445.589 2.334 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1740960440 RMNFGEGAKAYXJR-SFTDATJTSA-N 439.560 2.312 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1741131163 DMGLBPPYUNKZJQ-FXAWDEMLSA-N 426.521 2.109 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1Cc2ccccc2O1 1741930115 DGHFIIDTPKESHK-LUQKVYGDSA-N 444.561 2.022 30 10 IEEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)cnn1CC(C)C 1742072995 IHDGCSRLEPZYBI-IBGZPJMESA-N 432.532 2.338 30 10 IEEE CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1744154780 BKSXSOMCRMBOMP-HXUWFJFHSA-N 432.532 2.282 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CCS(=O)(=O)CC2)c1 1748564334 GMTSLUCXFGAQFJ-OAHLLOKOSA-N 447.561 2.383 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748925900 PAMGTHONUNXVFE-IAGOWNOFSA-N 429.487 2.285 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N[C@@H](C)CC)CC1 1748992832 HNQVOAANNPAPLM-KRWDZBQOSA-N 444.530 2.207 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)CC1 1749119413 RRCMEUSEKBGWKH-MJGOQNOKSA-N 426.521 2.115 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)CC1 1749135420 FCIKUTULMKJTCN-UTKZUKDTSA-N 446.573 2.416 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C[C@H](C)O1 1749547938 PSNLMUYQVSPFQE-PXNSSMCTSA-N 440.548 2.219 30 10 IEEE COCCCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749654178 KYKICERPMCVBDJ-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(OC)CC1 1749676562 VBDZFRVHHMFBDK-QHCPKHFHSA-N 437.548 2.214 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)[C@H](C)CC)C1 1749713596 VHTLKHOQIQEBHQ-BRSBDYLESA-N 426.583 2.023 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1750389116 WLDIZMWJOHZHMC-HNNXBMFYSA-N 444.421 2.044 30 10 IEEE Cc1ccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1751547271 AHPYKMUOBVRFSW-XDOYNYLZSA-N 449.515 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1760118077 XWPLMKHDJFPTLZ-BXWFABGCSA-N 430.530 2.073 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760155575 BSHNLHFEBYWKEY-KRWDZBQOSA-N 428.562 2.189 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760190968 YDZAOMDDIHEFKN-KRWDZBQOSA-N 434.949 2.257 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(-n2cncn2)nc1 1760230173 UGPBFKZDLXAQOG-UHFFFAOYSA-N 444.499 2.446 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1)C1CC1 1760471866 LYAISAZOEAZKLL-UHFFFAOYSA-N 441.532 2.366 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1)C1CC1 1760474004 KQQDMPXGVGIJFQ-YCRPNKLZSA-N 434.537 2.382 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccco2)C1 1760527067 YBKXWEIZVZISJN-HNNXBMFYSA-N 440.529 2.159 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1760852557 VFMXPDBZQSEVMK-UHFFFAOYSA-N 438.532 2.284 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1766823173 OPYBFHNHRYWYDS-SZLLDUCCSA-N 444.536 2.051 30 10 IEEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1767034324 CLOCSBZCQYUZHN-OAHLLOKOSA-N 442.467 2.239 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1772564769 LFLRQPMOMLGUCB-IBGZPJMESA-N 426.546 2.096 30 10 IEEE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)N4CCN(C)CC4)c(C)c32)cc1 1772749086 PTBLNFCIJGAEIE-UHFFFAOYSA-N 444.557 2.303 30 10 IEEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(c4ccc5nnc(C6CC6)n5n4)CC3)cn2c1 1852424236 QPRLBPQCLIUKTI-UHFFFAOYSA-N 447.890 2.137 30 10 IEEE N#Cc1ccc(NC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)c(Br)n1 1852770640 PCCCZVMXSGJJPV-HNNXBMFYSA-N 431.294 2.332 30 10 IEEE COc1ccc(-n2nnc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)c2C)cc1 1853017386 OMXZKBAYOCTPTG-UHFFFAOYSA-N 431.396 2.068 30 10 IEEE Cc1c(C#N)cncc1NC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1 1853022259 XVMSQLQJKYDEAI-HNNXBMFYSA-N 427.505 2.448 30 10 IEEE COc1ccc([C@H](C(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OC 1866993328 YLZBKORARWWZIU-WIYYLYMNSA-N 425.485 2.431 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(C)C 1869011938 MJDYOCREEAWYHR-JOCHJYFZSA-N 428.577 2.402 30 10 IEEE CCOc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 1874339179 MGWKUGUOHMEDHO-FPQGOQEYSA-N 433.534 2.073 30 10 IEEE COCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874499760 ZFDRIKKUKSHJEP-SSDVNMTOSA-N 425.470 2.103 30 10 IEEE Cc1cc(Br)cnc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889278779 YYAWZSNQNFQVHZ-UHFFFAOYSA-N 449.393 2.025 30 10 IEEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1890701721 ACDQFZIJGIOFSD-OAHLLOKOSA-N 444.475 2.408 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 1993667100 LTMAGHVXUFTOJS-OAHLLOKOSA-N 427.542 2.192 30 10 IEEE CO[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CN(C(=O)OC(C)(C)C)C1 2010520202 VSDQOCRPBVZEOH-PMACEKPBSA-N 428.533 2.105 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)C1 2015900011 LXIHREPOBISQFV-JOCHJYFZSA-N 439.553 2.336 30 10 IEEE Cn1ncc(I)c1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2069492654 QLYJYLQJWGYWPW-UHFFFAOYSA-N 443.094 2.207 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124531358 DAAAMWHWWAKFFH-RUPPMWDTSA-N 444.341 2.264 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@@H]4COCC[C@@H]43)c(Br)c2)OC1(C)C 2172780743 UWTJSLTVYLMYMH-LSDHHAIUSA-N 425.132 2.137 30 10 IEEE C#CCn1ncc(Nc2cnn(CCNC(=O)OC(C)(C)C)c2)c(Br)c1=O 2237654120 QSQBEKBLTVEUJM-UHFFFAOYSA-N 437.298 2.104 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247817928 RICYCJBSRVNMTH-KBPBESRZSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247831769 DMRWUOMOIACMLZ-KWCYVHTRSA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCN(CC#N)CC2)C1 2248510676 QNQLRSWNYOUVMA-UHFFFAOYSA-N 428.533 2.108 30 10 IEEE CC1(C)OB(c2csc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2248565611 OJLAVWKIZLMJIY-INIZCTEOSA-N 431.319 2.447 30 10 IEEE COc1cc(C(=O)NCCNOCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2255825036 SPTZYLPEJPTQRE-UHFFFAOYSA-N 426.322 2.446 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256016318 GPGPRDYLZZCGQS-BBRMVZONSA-N 432.326 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256669531 QRQNNRUCYLFSJP-HNNXBMFYSA-N 438.305 2.339 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999615 NWDVBIMDAVIDMH-SHTZXODSSA-N 448.373 2.061 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267183645 HJBAAJMXGZIZLT-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267265717 JRRRQSADULIFIT-ZMSDIMECSA-N 443.353 2.366 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267499048 YTRITLGMLQXKAE-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CCN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267503658 HFDRTYJAUOJNHO-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 2267529593 NDBYWOVGQMSFHZ-DEOSSOPVSA-N 438.381 2.422 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267545943 PKFRXSQVQLAGHU-AWEZNQCLSA-N 448.373 2.047 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)n1 2267547771 NHQSEZZENJNMNB-AEFFLSMTSA-N 440.353 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(N)c(B3OC(C)(C)C(C)(C)O3)c1)CCO2 2272833834 OAUAJRLZICTNIM-UHFFFAOYSA-N 445.369 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)CCO2 2272929933 NIDVRGPCMSTQCE-UHFFFAOYSA-N 448.325 2.041 30 10 IEEE Cc1cc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2282684497 RFAPPKGOZODGPB-JOCHJYFZSA-N 449.404 2.498 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1 2296605711 VSMIDZVEFSJVQX-NRFANRHFSA-N 438.480 2.450 30 10 IEEE CC(=CC(=O)N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 2331914949 JQLXNXYLFVBJNR-INIZCTEOSA-N 440.525 2.355 30 10 IEEE N#Cc1c(NC(=O)CCN2CCC[C@@H](C(=O)N3CCOCC3)C2)sc2c1CCCC2 9983538 GLFNHOWPIDBLID-MRXNPFEDSA-N 430.574 2.398 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)cc2C1=O 16984453 XVURTEHRIISZIR-QGZVFWFLSA-N 447.491 2.363 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)NC(C)(C)/C(N)=N/O)cc1Br 155814035 FQMKQSSYFKQRPU-UHFFFAOYSA-N 429.134 2.323 30 10 IEEE OCCC#Cc1ccc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)cc1 206110355 CDNXBTUIJQPCAN-IZLXSDGUSA-N 447.623 2.216 30 10 IEEE COc1cccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254760541 UJLKFFCRCPIVFG-MSOLQXFVSA-N 432.523 2.376 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCCN(c4ccccc4C#N)CC3)cc21 427019662 MWMWEJXPNYZJPD-UHFFFAOYSA-N 429.480 2.088 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2)C[C@H](C)O1 460293719 OICWHZQVXARBPP-IRXDYDNUSA-N 443.525 2.165 30 10 IEEE N#CC1(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN(Cc2ccccc2)CC1 479224809 YUISMWXJDSXMSX-UHFFFAOYSA-N 435.440 2.177 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc4c(s3)CCCC4)C2=O)cc1 486010397 UMTJAEWHBITWIY-GOSISDBHSA-N 436.537 2.146 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)cc2C1=O 521377098 GJJCUZYDXRLEOK-OAQYLSRUSA-N 437.471 2.411 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCOC[C@H]1c1c(C)nn(C)c1C 537852827 ORHVJYWFJKNOHT-FQEVSTJZSA-N 442.564 2.375 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(CC)cc2)CC1 549638927 WCMUVBWCXBPZRB-HXUWFJFHSA-N 425.533 2.467 30 10 IEEE CCOc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c1 552006571 BKWAYQWFWVLLCT-UHFFFAOYSA-N 448.548 2.212 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H]2CCCO2)n1 582373336 OXOKDDIVENWBGE-IBGZPJMESA-N 430.516 2.421 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 609161101 IGDQSMXPNYLGOZ-GOSISDBHSA-N 441.944 2.471 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 670196485 ZIOWPZUGBPRNIH-UHFFFAOYSA-N 426.569 2.442 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCN3CCC[C@H]3C2)C1=O 730140640 GZOUTVIFFRJTAR-UFYCRDLUSA-N 443.617 2.313 30 10 IEEE N#Cc1cccnc1NCCNC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731400565 FMIVUCDRNIFQNE-QGZVFWFLSA-N 429.502 2.140 30 10 IEEE Cc1cccn2cc(COc3ccc(C(=O)NCCN/C(O)=C4\N=CC=CC4=O)cc3)nc12 731860976 CWTKKLYEWIGLHI-DARPEHSRSA-N 445.479 2.478 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccnc1Oc1cccc(F)c1 732445683 BARIUWLLUBMAGB-HNENSFHCSA-N 425.420 2.339 30 10 IEEE N#C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccc(Br)cc1 733254629 ZLUNQQVKZPAULW-IRXDYDNUSA-N 444.264 2.389 30 10 IEEE CN1C(=O)C[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccc(Cl)c1 734704639 UAAFVUSWASSOFB-PKOBYXMFSA-N 431.901 2.377 30 10 IEEE Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 743917548 HWXGUUNRNFWSPA-HNENSFHCSA-N 430.530 2.218 30 10 IEEE N#Cc1cccnc1N1CCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 755703361 GYQSNVBXOYYYAF-UHFFFAOYSA-N 425.290 2.205 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2sc(C(=O)O)cc2Br)cc1 761308489 NAZXOHVZHZRKQH-UHFFFAOYSA-N 431.289 2.438 30 10 IEEE C=CC[C@]1(C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)CCCN1C(=O)OC(C)(C)C 772783258 FVMSBCKUJNLEHE-KGVIQGDOSA-N 426.554 2.205 30 10 IEEE CN(C)c1nccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)n1 775658532 PNPOGWIREUFHOU-GOSISDBHSA-N 449.540 2.215 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCC1)CC2 779318585 UIDLGKFUOITYLM-LBPRGKRZSA-N 430.452 2.439 30 10 IEEE CC[C@H]1C[C@@H](C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 779758936 WVIZJIRUPZUTBL-HOCLYGCPSA-N 426.495 2.219 30 10 IEEE COc1cc(-c2nnc(COC(=O)[C@H](O)c3ccc(C#N)cc3)o2)cc(OC)c1OC 780203263 BFKITCANGVNRMK-GOSISDBHSA-N 425.397 2.411 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 796469235 MKDWUDVBXYXZKY-HOJAQTOUSA-N 428.533 2.247 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C=NOC)cc1)c1ccc(S(C)(=O)=O)cc1 797770519 PDQFMBSHUFMVTQ-OAQYLSRUSA-N 432.498 2.279 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CCCN1C(=O)OC(C)(C)C 804556662 BGTMYPIRMDAGTP-KBJGYGKASA-N 434.537 2.311 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(Cl)cc1 811962921 CRMMEWKPIZOFQH-SCLBCKFNSA-N 448.932 2.249 30 10 IEEE Cc1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC[C@H]2CCOC2)cc1 1116347997 IFROGOVLJMOKLM-MRXNPFEDSA-O 448.590 2.303 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(CC#N)c1 1129087842 DUOJNGRFWQSUTK-UHFFFAOYSA-N 442.541 2.340 30 10 IEEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CCCCC1 1136512491 AVRGMHDGUMHJSS-QRQLOZEOSA-N 438.590 2.451 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)OC)s1 1149304553 NEABLKOHZUEASW-LIRRHRJNSA-N 436.555 2.422 30 10 IEEE CCOC(=O)CON=C(C(=O)N(CC)Cc1nc2c(s1)C[C@H](C)CC2)c1cc[nH]n1 1159676733 KWKAYCOOBTZSQU-CYBMUJFWSA-N 433.534 2.324 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC1CCN(CC#N)CC1)c1cccc([N+](=O)[O-])c1 1160753319 ZUSBRYPMUSKLDU-OAQYLSRUSA-N 431.493 2.439 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286391148 CTLBEEGJBCKZFL-NHCUHLMSSA-N 442.585 2.268 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1286392368 LNLBCRROFDYOPX-WSSFADSRSA-N 438.557 2.110 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1286406026 MVDAKAAKECGMMN-SFHVURJKSA-N 435.425 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCc1ccco1 1286418977 UUNGOHOROZJHQE-UHFFFAOYSA-N 447.495 2.335 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1nccc(C(F)(F)F)n1 1286438105 APELXQMKMIBWNQ-UHFFFAOYSA-N 426.406 2.250 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2ccnc2C)CC1 1286479648 VYFMAMSGDMFCIB-UHFFFAOYSA-N 425.487 2.107 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2COC)CC1 1286484267 HHJILMZEDVZYGY-UHFFFAOYSA-N 433.560 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC2CCCC2)CC1 1286492902 KWLAOZOVMCDNFZ-FQEVSTJZSA-N 443.592 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N(C)C2CC2)CC1 1286494465 PJURBJHKKIPMDL-KRWDZBQOSA-N 440.617 2.379 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1286516121 WLEFPNAKMKPQOW-RTBURBONSA-N 433.354 2.094 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CC)CCS(C)(=O)=O 1286556145 ODHSRWBUWWRHME-KSZLIROESA-N 426.583 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286556489 CNMZXQBJSOMKDW-KNQAVFIVSA-N 432.613 2.104 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286624329 AURRJJJSTSECTD-IBGZPJMESA-N 439.951 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286816028 DVLCUGMSLKVHNT-MRXNPFEDSA-N 429.546 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1C(C)(C)C 1286822215 AIRFLCIRGPUDDP-UHFFFAOYSA-N 426.583 2.298 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 1292682783 BRJVOAQFGIYCFM-UHFFFAOYSA-N 431.508 2.251 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nccc(C(F)F)n1 1293110881 GILYKHWPRVQUNQ-UHFFFAOYSA-N 425.447 2.210 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC(C)C 1293241749 FQNVAJZGIKWEEV-LJQANCHMSA-N 426.521 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCN1CCC(O)CC1 1293927844 JNDGJFDFIBLMBG-OAQYLSRUSA-N 442.560 2.356 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@](C)(C(N)=O)c3ccccc3)C2)C1 1294686184 HUSKJYTTYPJIEU-NLVZCFFISA-N 426.517 2.290 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCOC)ncn1 1299289889 DFNPSXJVMZKOQJ-IBGZPJMESA-N 447.547 2.400 30 10 IEEE COc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1300151477 CTOBRUQAROXYBE-HXUWFJFHSA-N 434.500 2.253 30 10 IEEE COc1ccc(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c(OC)n1 1300216002 PIBUIHOVDIFFBU-UHFFFAOYSA-N 449.515 2.472 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300505334 ZVCLESCREIRIKO-WDSOQIARSA-N 439.541 2.011 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccccc1N1CCOCC1 1300541445 UYGYNOXUFBUFDE-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCSC2(C)C)CC1 1300719572 HBNLLHCMRYKQFU-SFHVURJKSA-N 441.605 2.176 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1300876263 RSGVTDPCMXQLMQ-YLJYHZDGSA-N 446.596 2.283 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2cncn2)CC1 1301490766 ZJDQQYCYSWGBNM-UHFFFAOYSA-N 440.939 2.409 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1301491797 ZGTRHUBYFMLAPS-UHFFFAOYSA-N 445.527 2.041 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301600505 AYBFLFZOEJAOOS-INIZCTEOSA-N 430.490 2.413 30 10 IEEE CC(C)CN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1303192700 YKFHOFQRQKHTQM-SJORKVTESA-N 426.521 2.378 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CCN1CCOC 1306409452 JTIZDRGGIGVJRZ-VQTJNVASSA-N 430.528 2.348 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1308162353 WMLZFFUPDQXUSG-LJQANCHMSA-N 433.574 2.218 30 10 IEEE C=CC[C@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1309390741 MPVYGQVYBADDRK-OALUTQOASA-N 438.546 2.462 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1315811821 FGZMAJQPVWFUPD-XLIONFOSSA-N 442.539 2.491 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1316242417 UXOKLNFUQRHTSH-KKIUXKEOSA-N 443.573 2.360 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1324739434 MNGRFSZIGYCPJC-QFIPXVFZSA-N 426.473 2.114 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)c1nc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1 1339280844 KFSZOKYPRSCFNS-QGZVFWFLSA-N 438.488 2.192 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1358921283 UDFUCRLAIBWSBM-QGZVFWFLSA-N 429.496 2.266 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1358955112 DTXSBHNCWMQIOV-GOSISDBHSA-N 445.589 2.434 30 10 IEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358960200 ZFWBSDKWIADQGK-GOSISDBHSA-N 439.541 2.157 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccnc1C 1359016895 PACAQUZVBQUSSI-FQEVSTJZSA-N 433.491 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCCC[C@H]2C)CC1 1359047382 DTHGYTQKKLVWDF-LJQANCHMSA-N 430.597 2.045 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359051355 UIKPLCBYCUKGSG-IBGZPJMESA-N 441.601 2.479 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359143216 WRYSTFDQZGOHOU-INIZCTEOSA-N 448.955 2.180 30 10 IEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359167540 KDJLJWOMSLBGEH-NRFANRHFSA-N 426.613 2.322 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359177680 XOCOWIPTJZNZTR-QGZVFWFLSA-N 437.470 2.401 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1359263303 XOWLDLRCNDGOTE-MJGOQNOKSA-N 444.605 2.452 30 10 IEEE CC(C)COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1360065980 DMZCCRIEWVUYCX-QFBILLFUSA-N 426.587 2.081 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc(Br)cc1 1441044083 BDNHPEZATAMWKY-OAHLLOKOSA-N 426.267 2.248 30 10 IEEE C=CCSc1ccccc1NC(=O)Cn1cc(I)c(O)nc1=O 1459073833 BPMQRAIOQGNUFP-UHFFFAOYSA-N 443.266 2.470 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)n(C2CCCCC2)c1C 1460340592 RKLPNGOGWFJEBZ-UHFFFAOYSA-N 428.581 2.126 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)n[nH]2)c1C 1463886661 MGGMMJKMUHCUGC-UHFFFAOYSA-N 428.518 2.378 30 10 IEEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1464933889 MMXYBPJXMRSORQ-UHFFFAOYSA-N 438.550 2.327 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(=O)nc1O 1466163650 USNVMTIRMYVMPH-UHFFFAOYSA-N 442.304 2.380 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CC1 1471450910 LMTRTIDQMPXJJB-UHFFFAOYSA-N 433.917 2.358 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2cncs2)Cc2cncs2)c1 1472128843 WRJSXIPLLDIDJW-UHFFFAOYSA-N 432.552 2.354 30 10 IEEE CCc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498995048 WHOJSBMRVBISMN-VEGAHXMMSA-N 436.516 2.162 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1502468574 BLEZGTGEIHYQDA-MOPGFXCFSA-N 442.545 2.027 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(C)COC1 1504993994 KJJFOMYZFOSJJI-SFHVURJKSA-N 440.548 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1507532146 BUWHQTADVHLOAK-RXVVDRJESA-N 436.560 2.210 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1nc(-c2ccccc2)no1 1507639299 XHAOHAVWNCOTNY-KRWDZBQOSA-N 431.500 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(C)C)nc2)CC1 1507736028 DKEBGACUBCVZMY-UHFFFAOYSA-N 447.543 2.470 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1507965206 QAXYUVOFUJGSKK-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1508073379 WMTHPCUOOXALLP-QGZVFWFLSA-N 434.585 2.283 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 1508094644 PTMZNXZBNPONFI-UHFFFAOYSA-N 442.564 2.088 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1516978783 DHAZXNFVPHGHFA-OXQOHEQNSA-N 431.541 2.320 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2OCC#N)c1 1517583837 PMUVQQYORDQCLP-UHFFFAOYSA-N 425.463 2.397 30 10 IEEE COc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C#N)o2)c1 1518362487 DJXGZQZQWMTCQL-UHFFFAOYSA-N 441.513 2.480 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)c1ncc(C)s1 1519449124 KMMRHKKGPZBMGX-HJWJTTGWSA-N 432.550 2.300 30 10 IEEE Cc1cc(C#N)cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)n1 1534293248 ALYIVQZWDPICQC-LJQANCHMSA-N 442.273 2.430 30 10 IEEE C=CCn1cc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2n1 1538314332 KDYDOKOSALVFTN-UHFFFAOYSA-N 426.498 2.496 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539358727 NIDMJVIZJFKAEY-HKUYNNGSSA-N 428.562 2.004 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1cccs1 1539417168 YEULDVPJIVYIHW-IAGOWNOFSA-N 436.603 2.207 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1539526129 JQIUYXMYFBOPKF-JQVVWYNYSA-N 444.605 2.279 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539595176 TVQWBLFBSXKRDO-CABCVRRESA-N 449.357 2.188 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 1539629719 XWLPKKKTUWYNIN-HKUYNNGSSA-N 427.553 2.116 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1539669442 QSEJOBNXHODEPI-KRWDZBQOSA-N 441.561 2.212 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1539971461 HQQAZJHEKQRRGS-UHFFFAOYSA-N 437.548 2.168 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)C1 1541031559 ACHZRSAIWBIQHV-GOSISDBHSA-N 449.481 2.416 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOCC1CCOCC1 1541113739 ZJKYKIDSFMPPCL-MRXNPFEDSA-N 444.536 2.435 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(S(=O)(=O)CC)cnc2O)ccc1OC 1543405803 GFZZFNKDRNBEJM-CQSZACIVSA-N 433.486 2.200 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555711505 YFSAOMUTDGXFIC-VQTJNVASSA-N 427.505 2.070 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)c2cccc(C#N)c2)CC1 1557468882 WINUQDMHZXBHIZ-UHFFFAOYSA-N 429.546 2.350 30 10 IEEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1558866016 DAKCWXRKYGQQRS-UHFFFAOYSA-N 432.464 2.214 30 10 IEEE CC(C)CCOCCNC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2 1559442506 JNXQEEMQFKCFFU-UHFFFAOYSA-N 436.556 2.457 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N(CCN2CCOCC2)CC2CC2)cc1Br 1561779805 BGQLJLOPLRUQBE-UHFFFAOYSA-N 446.342 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCNC(=O)CCCc2ccccc2)C1 1564530469 CXDJOGHUAAMYNJ-OALUTQOASA-N 443.548 2.184 30 10 IEEE CS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(Cl)cn1 1566387809 YEVOZOHUOBVBBM-UHFFFAOYSA-N 434.905 2.224 30 10 IEEE Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)ncc1C#N 1585712809 VKMPQIGPGWKINW-INIZCTEOSA-N 446.248 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1(CS(C)(=O)=O)CC1 1587635251 FAUUYHUOSHGYIJ-GOSISDBHSA-N 447.557 2.334 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2nncn2CC)c1 1587692723 JKFZMOWNBDBXCY-LJQANCHMSA-N 448.531 2.236 30 10 IEEE C[C@H]1CN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)O1 1587797689 BDUTVGQMHMKONV-IDOUOTJPSA-N 434.581 2.389 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CC)N1CCCC1 1587921779 JBMMZWMEFKRDCN-SFHVURJKSA-N 443.621 2.490 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1noc(CC)n1 1588646722 MBEGZGSWTHCOAI-SFHVURJKSA-N 438.488 2.065 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1588871963 TXBUWXFHDSYTKO-NTKDMRAZSA-N 441.576 2.418 30 10 IEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589366333 BWEYQWQTZYEFRE-OAHLLOKOSA-N 435.326 2.009 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)CCCNC(=O)C1CCC1 1589404834 MGOFOCMMTLGLOC-HNNXBMFYSA-N 426.359 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C)C1 1595766266 NDRDFPKSLASQAC-AWEZNQCLSA-N 442.488 2.372 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)n1 1611073095 ZCNYDMJZZQBMIC-UHFFFAOYSA-N 433.563 2.127 30 10 IEEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(F)c1 1611714668 DAHWAIKFLMKEAU-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE CCC(O)(CC)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613671901 LKFVQPBVZMBZSJ-UHFFFAOYSA-N 433.516 2.350 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1614655296 GBMODXMLNRCOFF-LJQANCHMSA-N 449.563 2.074 30 10 IEEE CCNC(=O)c1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)c1 1615931416 PFBNUWNIMXSDEG-HNNXBMFYSA-N 449.515 2.400 30 10 IEEE N#C[C@]12CN(C(=O)CCSc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1616329694 WWWUSSMZNMOAPW-BLLLJJGKSA-N 429.361 2.328 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCOC3=O)cc2)s1 1631312332 NFJOMVHOAHSHND-UHFFFAOYSA-N 435.527 2.028 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cn1 1635452847 GZMJJNOCWNPQCA-GOSISDBHSA-N 433.468 2.498 30 10 IEEE CC(C)(C)OC(=O)[C@@](C)(CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 1639781891 HFRNXUJNZDWAQR-DRBGZVQYSA-N 427.501 2.319 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1639851451 XQWNYWGZUKRHGZ-QGZVFWFLSA-N 431.537 2.079 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)CC1 1640201521 JITDZKANQNEVGA-UHFFFAOYSA-N 434.924 2.194 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 1640914535 WDDICNFQLBUHQV-WQFQCULDSA-N 441.509 2.024 30 10 IEEE CCOC(=O)c1nnn(C2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1C(F)F 1643355395 PRMKBJUAAHSUSY-KRWDZBQOSA-N 433.415 2.161 30 10 IEEE Cc1cc(O)nc(N2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n1 1645592424 XTMFUAWWBXIKFH-INIZCTEOSA-N 432.525 2.117 30 10 IEEE CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1652329207 XMPWHZDMUHPKRJ-QGZVFWFLSA-N 427.530 2.277 30 10 IEEE CN(C(=O)CN1CCN(C(=O)CC#N)CC1)[C@@]1(c2ccccc2Cl)CCCCC1=O 1653646615 VCYJKEHZHGIGLC-JOCHJYFZSA-N 430.936 2.195 30 10 IEEE COC(=O)C1(C2(O)CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CCC1 1653670726 AZQBREFXQGYWPT-KRWDZBQOSA-N 429.492 2.220 30 10 IEEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)nn1 1657622759 NKAXMAURFIPWMY-UHFFFAOYSA-N 448.549 2.359 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)C1CCOCC1 1674597233 PKHHMOVPEHZJNS-IAGOWNOFSA-N 429.521 2.002 30 10 IEEE CS(=O)(=O)c1ccccc1CCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1675916701 CCGKWKPCYILDQS-SFHVURJKSA-N 427.530 2.185 30 10 IEEE C#CCN(C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1687322546 KIJRLOWBQKAYRU-SJORKVTESA-N 441.594 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1689848460 VWRQXDVGFIDNLW-IWAYBZMOSA-N 440.573 2.197 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1689904223 OPBFBAFWPVXZOL-QGZVFWFLSA-N 426.496 2.356 30 10 IEEE C#CCN(c1nnc(C)n1CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689979450 BGHFKMIVEFXNTD-FQEVSTJZSA-N 446.548 2.101 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689987669 AHBUHTYHBUNCHY-RBUKOAKNSA-N 432.521 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)COc1ccccc1OC 1690043578 GCBRTWUPBQMIAN-RTBURBONSA-N 435.528 2.416 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690183264 RPBMUCHHDQVYLK-QGZVFWFLSA-N 427.530 2.173 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690306735 DFZAHVYZJFHIJG-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1690527993 WASHLTYOUVZPLA-CQSZACIVSA-N 445.467 2.187 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690653456 SALZOAVCBNFZOI-QHCPKHFHSA-N 441.532 2.173 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690748949 MMPKQGZUUSGJAU-OAQYLSRUSA-N 441.649 2.399 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705517441 VRAIOQXCNZSCGD-LJQANCHMSA-N 436.564 2.216 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@@H](C)C1 1705534396 HHXYWMJEGGWJME-RXVVDRJESA-N 425.533 2.361 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1705562631 GYTIXYYJOLLKHA-GOSISDBHSA-N 432.546 2.007 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1705570702 STGNWDQWGNZEMB-LJQANCHMSA-N 427.574 2.327 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705739043 TWKFIODWXMPIOV-LJQANCHMSA-N 425.533 2.281 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705805506 ITRQLGLQUWYSEF-MSOLQXFVSA-N 437.610 2.278 30 10 IEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1705830727 WKGQQYIYKDYDHO-QGZVFWFLSA-N 437.541 2.016 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1705869060 KULXHOUMFLWEQC-ROKPMTFOSA-N 442.608 2.197 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1705911750 PGWSDJLGZVTTRD-SFHVURJKSA-N 433.578 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705936475 RJWHKXKYEFXIAZ-CSODHUTKSA-N 438.594 2.309 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1710745082 SGXLJZNZNJAOOD-BBWFWOEESA-N 434.541 2.189 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1711300119 AVNMWHPQOGMLEH-RHSMWYFYSA-N 430.603 2.484 30 10 IEEE COCCOCc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1712609163 NDENXZIOPKVLPJ-OAQYLSRUSA-N 434.500 2.280 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 1722274716 XIPMIWOFHQAECA-AWEZNQCLSA-N 436.438 2.356 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722363781 CEUJFOSMVLTERR-DENIHFKCSA-N 448.564 2.186 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1722365236 CSIOEYARONSVKM-PGRDOPGGSA-N 446.573 2.290 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@H]1C 1722428403 YPMGZANTDVFIJO-VAMGGRTRSA-N 433.597 2.003 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1722436299 CASAYOGMYXOWOY-JTHBVZDNSA-N 436.604 2.448 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2)N(C)C)CC1 1722438798 CGLPAXVMKKMKBT-HSZRJFAPSA-N 429.572 2.322 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1722471093 RFDCWOYVAUZEOE-CNRFCZHISA-N 446.511 2.472 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722554317 DDVMWSSQHASVDL-HUUCEWRRSA-N 427.933 2.264 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H]2C)CC1 1722580583 DSVVSRDBFKLZLN-QRQLOZEOSA-N 437.610 2.450 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)CC1 1722622782 TWUZHAPDHAUSIZ-UHFFFAOYSA-N 442.383 2.208 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1722695004 OUXVQAXAEYKAHE-WMZOPIPTSA-N 436.516 2.036 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1722703085 VQGFUHCPKGRYJU-OAHLLOKOSA-N 445.593 2.227 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CC1(C(N)=O)CCOCC1 1727574711 CSLQVWIGWLPDTL-HXUWFJFHSA-N 436.560 2.453 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@H]1N1CCOCC1 1727795491 ZSQMCFXZTAFZGP-SYYKKAFVSA-N 437.592 2.314 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nnc2n1CCCCC2 1730854784 WTNIFUGBYHJQLA-VGSWGCGISA-N 442.568 2.498 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1740626948 ZDAPGIGXZQVSMB-QFIPXVFZSA-N 449.580 2.328 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(N)=O)cc1 1740673821 IKFWXPYJQIIYEY-UHFFFAOYSA-N 437.529 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1740704227 MCNMQKMLFMMAJV-OAQYLSRUSA-N 430.512 2.128 30 10 IEEE C[C@H]1CCc2sc(-c3nnc(N4CCO[C@H](C#N)C4)n3CCOCCN(C)C)cc2C1 1743012528 GEGOSGNZUPESKK-FUHWJXTLSA-N 444.605 2.438 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCCC1=O 1748766479 QRRSKDVDJXCIAF-UHFFFAOYSA-N 443.511 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCCO1 1748887536 CGINZDSVZGDQSS-SFHVURJKSA-N 439.516 2.054 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749660345 NQWHZKYOPZXTIG-HXUWFJFHSA-N 433.560 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C)C1 1749738047 CZFNCBCDHSOBTF-SFHVURJKSA-N 434.562 2.300 30 10 IEEE CC(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750811373 ZKGISXAUYXSWRV-HXUWFJFHSA-N 439.564 2.438 30 10 IEEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)c1 1751647014 DXHOLNIKPLXWHK-NRFANRHFSA-N 446.577 2.235 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCOc1ccc2c(c1)OCO2 1760096844 VNIWLOWYBHQRBW-OAHLLOKOSA-N 427.505 2.462 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760136338 USOMSEUFCXIROM-GOSISDBHSA-N 434.548 2.485 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760150005 AEHYQBJBFKFGHT-UHFFFAOYSA-N 445.527 2.188 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760152738 XJMUEHZWQSWUEK-QGZVFWFLSA-N 440.548 2.408 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1c[nH]nc1C 1760248830 REYLRLGIPQFPCF-UHFFFAOYSA-N 446.515 2.344 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCNC(=O)OC(C)(C)C)CC1 1760271903 QQMXMEJAWWTQAB-UHFFFAOYSA-N 444.580 2.111 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1760324574 LBRCIWUXRAZEBR-WIYYLYMNSA-N 446.573 2.382 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1760460913 HGKIMFILQCCYIO-UHFFFAOYSA-N 438.532 2.257 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)OC 1762426520 YGMSSYFCCTYNIJ-HTAPYJJXSA-N 440.504 2.185 30 10 IEEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1767490663 BWJIDVJJHPFHCZ-QGZVFWFLSA-N 437.470 2.287 30 10 IEEE COCCCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 1769746839 PWIPYBSGWIZOMH-JOCHJYFZSA-N 444.511 2.322 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCCO)cc1OC 1770029517 FZPROJZWCOFMLE-UHFFFAOYSA-N 429.521 2.491 30 10 IEEE COCc1nocc1Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1770885499 OWYUZYJBNUJQRC-UHFFFAOYSA-N 436.520 2.352 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1771167778 DAHVOYCIJXFTGG-HTAPYJJXSA-N 429.521 2.316 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1771240628 IWJBBDUPQHZYLI-FQEVSTJZSA-N 440.548 2.363 30 10 IEEE C#CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1851097242 BVHOITVJZHAMMS-HNNXBMFYSA-N 429.995 2.112 30 10 IEEE CCS(=O)(=O)N1CCN(C(=O)C[C@@H](c2ccc(C#N)cc2)n2c(C)ccc2C)CC1 1851803766 ZELSFGKDFVUZPI-NRFANRHFSA-N 428.558 2.450 30 10 IEEE O=C1C[C@@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1cccc(F)c1 1852156694 CBIYHTJRFDRTHG-CYBMUJFWSA-N 449.426 2.435 30 10 IEEE C=CCN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)[C@@H]1CCN(C)C1=O 1852599229 YYSRASMTCCDWEY-HXUWFJFHSA-N 427.526 2.127 30 10 IEEE C[C@@H]1CC(=NC(=O)c2ccccc2N2CCS(=O)(=O)CC2)NN1c1ccc(Cl)cn1 1852606204 GESFABOBQOVQIJ-CQSZACIVSA-N 447.948 2.312 30 10 IEEE Cc1cc(NC(=O)C2CCN(c3ccccc3C#N)CC2)n([C@H]2CCS(=O)(=O)C2)n1 1852983696 QUIDTINBKQGJND-SFHVURJKSA-N 427.530 2.278 30 10 IEEE C[C@H]1Oc2cc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)ccc2N(C)C1=O 1853223223 NXVGAPJXMDOAPG-SNVBAGLBSA-N 433.408 2.305 30 10 IEEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)CC1 1853680451 HWNYHSFXZLVRGM-HNNXBMFYSA-N 439.484 2.297 30 10 IEEE CCC[C@@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1855608280 CIMIELVHTXGVAC-PKOBYXMFSA-N 435.521 2.472 30 10 IEEE CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](N=CN3CCCCCC3)[C@H]2SC1(C)C 1857622099 NPGNOVNWUSPMDP-HLLBOEOZSA-N 439.578 2.412 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)COC)cc21 1858752089 QNUSQLJLQNOVDX-CQSZACIVSA-N 425.441 2.228 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc1O 1862738207 VZZYOGNUNIMDLW-SFHVURJKSA-N 428.397 2.270 30 10 IEEE CS(=O)(=O)CCC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccccc1C#N 1867019688 WGBKGMOVLRGLOJ-LJQANCHMSA-N 445.566 2.350 30 10 IEEE COc1ccc(CN2C(=O)CCC[C@@H]2C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 1891395148 WLJXGZYAFPDZMV-TZIWHRDSSA-N 449.511 2.308 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)n[nH]2)c1C 1891543733 HIDGFPACQFRWFI-SFHVURJKSA-N 440.548 2.177 30 10 IEEE C=CCC1(C(=O)N=c2ccc(I)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2010343067 PNTGELLIQDJXDC-UHFFFAOYSA-N 444.273 2.255 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1 2083267444 QWORKZBNVBFWJU-UHFFFAOYSA-N 430.314 2.428 30 10 IEEE COCCN(c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2224092789 JNTWFBWTMLNZIG-UHFFFAOYSA-N 433.358 2.453 30 10 IEEE CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402410 WPAJJFPKXSZHKE-IBGZPJMESA-N 440.375 2.281 30 10 IEEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248440967 DFGFAZLDEXWSOC-SMDDNHRTSA-N 443.350 2.310 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441353 LPAZKSSDEGDBCU-OLZOCXBDSA-N 437.371 2.219 30 10 IEEE C=C(CS(=O)(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2248583778 ZEYAWIFPEUWQDS-WBVHZDCISA-N 439.339 2.152 30 10 IEEE CN1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H](CNC(=O)OC(C)(C)C)C1 2255380166 WCRSUVHYFFXHGV-MRXNPFEDSA-N 432.374 2.026 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2255654958 GIOMDMKOJHCCFV-QQNCWREASA-N 438.330 2.184 30 10 IEEE CCN(CCN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256068243 YXZYCBXLSIZVQF-UHFFFAOYSA-N 434.346 2.105 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256618747 SEBMWNLMHZOVGU-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE COc1ccc(NC(=O)C#CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256624329 VLKXIGBPKPUJQV-UHFFFAOYSA-N 430.310 2.461 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)n1 2267119246 TUDKTGIZVQNSNO-IRXDYDNUSA-N 440.353 2.228 30 10 IEEE Cc1c(C(=O)N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135308 BAKCPUASDGSJOA-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267144189 SMMCANNHTMJXBR-RBUKOAKNSA-N 436.365 2.303 30 10 IEEE CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267179308 OBPZQGFFQXWMLU-JOCHJYFZSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267482957 LHJMSMNDGJMIBJ-KBPBESRZSA-N 449.332 2.411 30 10 IEEE Cc1nn(C)c(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267506900 FUHADUUXKWHILK-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ccnc(NC(=O)OC(C)(C)C)c1 2267603990 CFDYFXIVCYSNAT-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2282017659 MYJSCAUDTIFVIM-WOJBJXKFSA-N 448.376 2.370 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)c(OC)c1 2296618947 XJIBWJJCYQBYAE-FQEVSTJZSA-N 442.468 2.051 30 10 IEEE N#CCNC(=O)C[S@](=N)(=O)c1cc(I)ccc1Br 2316460447 JJAWFUJLBVJLRX-SFHVURJKSA-N 442.076 2.099 30 10 IEEE C[C@H](CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)NC(=O)OC(C)(C)C 2317233720 ZUTFUYXAHXMBJU-GFCCVEGCSA-N 438.305 2.474 30 10 IEEE C=C(COCc1ccccc1)[C@H](NC)[C@H](O)c1nc(Br)nn1CCOC 2353730281 QZISASPWSKYWKN-HOTGVXAUSA-N 425.327 2.081 30 10 IEEE C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@H]1c1ccc(OC)c(OC)c1 9288436 FYTVLKXIRDHQFJ-DZCCDHAISA-N 432.469 2.202 30 10 IEEE CCOc1ccc(N/C(=N\C(=O)c2ccc3c(c2)OCO3)NCCN2CCOCC2)cc1 46133505 BVWLGVAACUVASP-UHFFFAOYSA-N 440.500 2.344 30 10 IEEE C#CCCN1C(=O)[C@@H]2[C@H](c3ccccc3OC)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 248253179 QVHQHDWBABSIHJ-AIFLQVKLSA-N 432.476 2.030 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)c1 441915033 NUSZHWSARWKAMD-HXUWFJFHSA-N 430.505 2.050 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 446190583 DUMTUMVRXUREGJ-UHFFFAOYSA-N 447.495 2.314 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCC1(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 446593733 BOGMSHQGEIVNCM-IRXDYDNUSA-N 432.480 2.430 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 446636613 GOMCYEZWNHAZGJ-FHERZECASA-N 439.438 2.353 30 10 IEEE Cn1ccnc(N2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)c1=O 465235550 QQJNKKKVKHVMGP-UHFFFAOYSA-N 429.480 2.193 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccc(F)cc3)c2=O)nc1 474343668 DIOWNHCVEGMXQO-UHFFFAOYSA-N 448.523 2.303 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)Nc1c(CC)cccc1CC 506961637 RNOQOECDHORQIW-UHFFFAOYSA-N 440.529 2.458 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 508919207 QAIXZAQNKNRCDT-OAHLLOKOSA-N 430.557 2.211 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)n1 520553688 LWBFKQFQUKZIES-BVGQSLNGSA-N 428.443 2.018 30 10 IEEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549252600 FNYJUZZZANZNPG-UHFFFAOYSA-N 449.559 2.470 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 555291087 QIGOLGHGIACCCH-IBGZPJMESA-N 449.577 2.141 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 568698066 FFRNQXRAGLZZTN-INIZCTEOSA-N 438.561 2.351 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3ccccc3OC(F)(F)F)CC2)cc1 572846998 ORXPSTFLPYVTKC-UHFFFAOYSA-N 446.429 2.417 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 606055264 LKBFPGCVWJOJIK-UHFFFAOYSA-N 441.532 2.184 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)N[C@@H](C)c4cccc(C#N)c4)CC3)C2=O)n(C)n1 611562840 QMZJBOQCGRFKSB-GHTZIAJQSA-N 449.559 2.184 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 726783276 BCNXTVFNZGKVEC-UHFFFAOYSA-N 436.497 2.416 30 10 IEEE C#CCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)[C@@H]1CCS(=O)(=O)C1 729330404 CNSUNZNKYFEWPM-WSTZPKSXSA-N 446.569 2.117 30 10 IEEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@H]1CCCO1 730138135 JISLFKZBQHMYEV-HKUYNNGSSA-N 432.590 2.427 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CCN1C1CC1 732706558 QKYIKEUSSISEEL-HNNXBMFYSA-N 432.406 2.028 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cc(OC)ccc1OC 733202341 QIONWBLUIPFDGS-QGZVFWFLSA-N 439.497 2.477 30 10 IEEE CCN1CCN(C(=O)CC2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)CC1 739853093 IXFLAXFVIDYCPF-UHFFFAOYSA-N 435.576 2.349 30 10 IEEE COC(=O)[C@@H](OC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(C#N)cc1 740191884 CKTKGXMFBMVWHI-RDPSFJRHSA-N 449.463 2.259 30 10 IEEE Cc1nc(-c2ccc(I)cc2)nn1CN1CCN(C2CC2)[C@H](C#N)C1 751594436 MFWADVSADPQWAJ-QGZVFWFLSA-N 448.312 2.488 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 753531066 DSDLUAKAOCJZTQ-LJQANCHMSA-N 438.355 2.355 30 10 IEEE C=CCn1c(=C(C#N)C#N)sc(=Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)c1=O 757668116 VYMHUQOFNLIFLF-UHFFFAOYSA-N 434.521 2.420 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 766930193 CEFRVYXMFBROFA-SRXHXZOOSA-N 426.517 2.293 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1C1CC1 772299321 JWNPBLYIJFKGLQ-UHFFFAOYSA-N 446.370 2.345 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3C[C@@H](O)c3ccco3)C2=O)cc1 780895155 XNBVWXYSCLUYAV-HSALFYBXSA-N 438.484 2.181 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 787052874 OHFKXOWBSSHTRL-GHTZIAJQSA-N 446.463 2.462 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](CC)n2nnc(-c3ccc(Cl)cc3)n2)n1 790109311 VJYIVPFVFKNNIY-LJQANCHMSA-N 441.923 2.450 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)c3ccccc3C(=O)OC)cc2C1=O 800717358 UJKMLYMZHDTSCN-UHFFFAOYSA-N 436.420 2.075 30 10 IEEE C#CC[C@]1(C(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)CCCN1C(=O)OC(C)(C)C 856711605 ZVEPBHIXGLBQBN-XZOQPEGZSA-N 446.548 2.321 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)c1ccc(I)cc1-n1cnnn1 1124929182 RAOUHOWHLOTYOF-UHFFFAOYSA-N 444.236 2.411 30 10 IEEE C#CC[C@@]1(C(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1130681679 XKPUBDALRVJVJC-MOPGFXCFSA-N 431.455 2.306 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C(=O)OC(C)(C)C 1135523940 QMLGRRLWWZMEIQ-UHFFFAOYSA-N 449.573 2.007 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1151183022 PUYUALLHUHUKIK-QFIPXVFZSA-N 425.489 2.147 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1ccc(F)cc1 1155508703 SSALKBDZVJAYCT-HKUYNNGSSA-N 447.532 2.143 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)CC1 1155873134 KFZIQGOLDLKOFJ-YLJYHZDGSA-N 447.601 2.380 30 10 IEEE C#CC[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)C1 1197221689 WIWPHQNSGMBSSV-IRXDYDNUSA-N 433.530 2.137 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)n1 1202326242 DLFMSSZVWWIPDU-UHFFFAOYSA-N 434.880 2.402 30 10 IEEE Cn1ccnc1[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCO1 1212131136 GIDYLNSYCFMHCI-ZIAGYGMSSA-N 425.308 2.253 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(N=c4cc[nH]cc4)cc3)CC2)c1C#N 1233778885 AMGMWRJRSNBPTB-UHFFFAOYSA-N 430.516 2.193 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@@H](C)C1 1286299738 HUOHZAXFVJYYEP-UXHICEINSA-N 435.576 2.475 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286390975 BDPOZYGVRFWXPG-GOSISDBHSA-N 446.573 2.313 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccc(OC)cc2)CCC1 1286464866 GNQALGBOHUPQGR-FQEVSTJZSA-N 437.544 2.446 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1286538337 ONAGGVVVMRWEIJ-HNNXBMFYSA-N 436.358 2.141 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286561203 LZUWCTCKZCNNGH-AZUAARDMSA-N 439.564 2.411 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286602972 HJZRXKFRZQMMOM-QGZVFWFLSA-N 437.566 2.205 30 10 IEEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1286755096 ZAHFNLCENUCSKK-QFIPXVFZSA-N 427.553 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1286783544 VCDHPXQDIILHNX-UHFFFAOYSA-N 430.940 2.348 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1290364819 AQGRHQFEFUYTCN-QGZVFWFLSA-N 442.988 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)NCCNc2ccc(C#N)cn2)C1 1290718732 TZPQHKXMYPNTDA-OAHLLOKOSA-N 425.493 2.243 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1291826146 FSLXUKFQJMTUJO-MAUKXSAKSA-N 430.484 2.030 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1295746623 BCBPDUPSDSYAQC-LJQANCHMSA-N 426.521 2.212 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)cc1OC 1296743804 DQZKQPXQGBQEDQ-OAQYLSRUSA-N 445.495 2.336 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 1300017987 AKYBAOOZIJQPMW-RDPSFJRHSA-N 431.496 2.063 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1300456068 UFFUNEWGJRRTQG-UHFFFAOYSA-N 440.529 2.021 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1300459868 XKOPYUUOVVRYBS-RTWAWAEBSA-N 441.601 2.160 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300499572 VEFOSCZVFJSTEO-PGRDOPGGSA-N 448.564 2.186 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300834519 SGAVHJNFTVITPW-IYBDPMFKSA-N 437.294 2.432 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1300890537 HFBKKPUVPXSKCZ-DENIHFKCSA-N 441.580 2.213 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1301258327 QDEDGNRVPVVEKZ-SFHVURJKSA-N 439.626 2.084 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C[C@H](C)O1 1301359374 GOPDSULKDVVDNS-GUYCJALGSA-N 425.518 2.265 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1301375115 IXZQSEZEBZEZAU-UHFFFAOYSA-N 427.534 2.187 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301559496 GURZSTXLQNNFBO-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1302207828 LNBGBXWQHWPSHB-UHFFFAOYSA-N 440.548 2.319 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1302443179 JHFGINRFUSAORX-JOCHJYFZSA-N 438.511 2.121 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1303950747 QFAWBHXZLFHIHW-LJQANCHMSA-N 449.559 2.213 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)cc1 1310196844 WICHZKVOXLGBQE-QGZVFWFLSA-N 434.562 2.294 30 10 IEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1314835418 QTTHQUREJORRPN-QHCPKHFHSA-N 449.515 2.003 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1358888011 GIXVJYIRXJUDGG-PXNSSMCTSA-N 425.533 2.493 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358966332 MSTUIGCCQGCFNG-GOSISDBHSA-N 428.558 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1Cc1cccc(OCC(=O)N(C)C)c1 1358973076 DTTJJVRVWPGRBJ-UHFFFAOYSA-N 431.496 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC(O)CC1 1358975709 BOQPDWRXBLJEOZ-UHFFFAOYSA-N 443.555 2.050 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCOCC1 1358997874 IGHJPJXXBJHNET-HXUWFJFHSA-N 439.535 2.427 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@H]2C)n1 1359027999 CVNIAMHDTHYDGM-GGPKGHCWSA-N 439.564 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1359044946 SBEKEIHGIOUHQN-IRFCIJBXSA-N 443.592 2.343 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359062437 IEINWURYQVXCEA-DOTOQJQBSA-N 431.566 2.071 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359157816 UZXCWCMQTSQFFI-YLJYHZDGSA-N 436.944 2.173 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(C(C)C)CC1 1359305289 YNMILLZTLLNLFV-UHFFFAOYSA-N 430.528 2.219 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)C1 1359322301 SQSCKPUBRXJZNH-UYAOXDASSA-N 446.573 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCCCC2)CC1 1359330253 MBGSXDKAJCQACV-UHFFFAOYSA-N 446.621 2.339 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCOCC2)C1 1359345979 WWJHERPEPWHPOM-UHFFFAOYSA-N 432.594 2.445 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 1442167194 AUOYIFSYEYSUTR-UHFFFAOYSA-N 425.554 2.483 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1)C(=O)OC 1448493161 GXEKGWFLAKTBBN-GUDVDZBRSA-N 429.542 2.219 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 1458118492 HIQUDPIWHALHDL-GFCCVEGCSA-N 434.212 2.369 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)CC1 1460902662 BSUCVFKBNSLPPO-SELNLUPBSA-N 433.597 2.058 30 10 IEEE COC(=O)[C@H](CNC(=O)c1cccc(C#CCO)c1)Oc1ccc(Br)cc1 1467919063 IKTXDAPNJRITJG-SFHVURJKSA-N 432.270 2.143 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C(F)(F)F)c1 1471420434 DHPJJDOORBSRCA-MRXNPFEDSA-N 437.403 2.133 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1471557996 GFNYZGKAYNERIZ-LJQANCHMSA-N 433.505 2.016 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471883339 DHKXFSULIJLWBA-CYBMUJFWSA-N 425.482 2.252 30 10 IEEE CC[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1497225800 CKLXJRJTNABRRD-IEBWSBKVSA-N 434.552 2.391 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1499879111 LCTSTORGYFQVPG-DVECYGJZSA-N 449.559 2.180 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1503386004 GAVLJLUBBCRRIW-DFQSSKMNSA-N 428.512 2.343 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1CCOCCS(C)(=O)=O 1503462642 VMEUDKMJBDOATL-LJQANCHMSA-N 447.561 2.089 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC[C@@H]1C 1504500652 VKASJYVXMXHFEV-YWZLYKJASA-N 431.500 2.220 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2cccs2)CCO1 1505323323 FKZYOQWMVWQJDD-INIZCTEOSA-N 440.504 2.228 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507685229 MTTJIPHJGLTNMD-INIZCTEOSA-N 432.546 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(OC)c1 1507710658 SLSFLKUVTPMRPJ-UHFFFAOYSA-N 437.500 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnc(C)s2)CC1 1507738272 KWCZRWHMJTXAJQ-UHFFFAOYSA-N 435.557 2.428 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507956684 DKEFSJSYRJBJSX-KDURUIRLSA-N 427.505 2.301 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507969003 YYCXAGPHKSQAGN-QGZVFWFLSA-N 434.610 2.378 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)C1(OC)CCOCC1 1507987073 NSTMEDGVYBTWPI-HOTGVXAUSA-N 430.496 2.455 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1508013990 OEZNFZXLBLOLAM-UHFFFAOYSA-N 432.546 2.072 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1508122932 LCSRCAWOHFTOJL-GVDBMIGSSA-N 448.568 2.171 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1508148518 IRHXPQPFVQOZAE-HLIPFELVSA-N 426.583 2.013 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511900873 KDWRWVGZDRNRBK-MLSMBGFSSA-N 442.907 2.344 30 10 IEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1514389932 RSXYJWDENUDSTI-CVDCTZTESA-N 438.532 2.212 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C#N)C1 1515681276 RQXHWRKQKRSJMT-HNNXBMFYSA-N 426.433 2.366 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1516418218 LRTJXNOKHCPESV-PCCBWWKXSA-N 441.532 2.274 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)C1 1517478071 HXVNWGTYFIOKHM-JPZYQRIQSA-N 442.589 2.326 30 10 IEEE CS(=O)(=O)c1ccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1 1531919205 CVAVYPNEGCZUSR-UHFFFAOYSA-N 439.497 2.399 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCn4c(cnc4C(F)(F)F)C3)C2=O)cc1 1536991355 MEHZJNHCTSACAN-OAHLLOKOSA-N 446.389 2.021 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1538965072 ZZKUYUYSEPKLBH-LJQANCHMSA-N 436.560 2.165 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1539030339 QJYZETNOSAEGJF-MRXNPFEDSA-N 433.578 2.162 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539211293 GWZQMKYIGSMFGB-OAHLLOKOSA-N 431.543 2.286 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1539219657 LUGIHNBLRFNSSM-QGZVFWFLSA-N 425.514 2.171 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@]1(C)CN(C)C1=O 1539252529 AHWIUCVNAOEXIS-FQEVSTJZSA-N 426.318 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)CN1CCCC1 1539273535 WLXICQSDFGCGMW-UHFFFAOYSA-N 438.601 2.464 30 10 IEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1539525978 ANGHIBOLOPYNMJ-UHFFFAOYSA-N 448.980 2.338 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@@H]2C1 1540857604 HXNYXUAGGATFLM-SFHVURJKSA-N 432.569 2.099 30 10 IEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)NC)CC2)cc1 1540879060 RFUMYWRMVRXZDL-UHFFFAOYSA-N 447.543 2.338 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)CCO1 1541073921 FPPLHMLLKHMXPF-LJQANCHMSA-N 428.562 2.300 30 10 IEEE CC(C)CC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1543127096 WRGOTVZJYPMLKC-OTQYULQBSA-N 432.565 2.490 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1543530425 VONMAIXJLRDCKK-UHFFFAOYSA-N 439.896 2.071 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CCOC)C[C@@H]1C 1547710108 GSSRNCMSAQINMH-IBGZPJMESA-N 425.581 2.315 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(N)=O)C3(CCN(C(=O)c4cn[nH]c4)CC3)C2)cc1C(F)(F)F 1548377253 HJWNTQWQJUXZJO-KRWDZBQOSA-N 446.433 2.144 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1555558058 KNBWGWPMULAIKV-OAQYLSRUSA-N 430.940 2.367 30 10 IEEE C#C[C@H]1COCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1556973638 PUWSFRPVKPPJPW-ZWKOTPCHSA-N 430.505 2.216 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(N2CCC2)CC1 1558103690 SGMDQQICFPFDEN-SFHVURJKSA-N 432.590 2.227 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@](CO)(OC)C2)cc1 1559983878 ISGUTSOVBAIMCV-QHCPKHFHSA-N 426.517 2.386 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559993279 UHRDCSUNHBOEJU-CTNGQTDRSA-N 435.590 2.048 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1565142242 BXPONECMTGLDEO-FGZHOGPDSA-N 425.577 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4ccccc4[C@H]3C(N)=O)C2)C1 1565773561 PJFVUUVNLIBBNF-NCRQEWHGSA-N 438.528 2.385 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)C(=O)OC 1568154450 JBYHBIXCTKTDHL-JKSUJKDBSA-N 428.432 2.391 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1570417964 BARDWOSISKKGQF-DLBZAZTESA-N 428.558 2.347 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1585297279 RKIQETYTKFVRLO-JBKSCQIWSA-N 446.548 2.445 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN(C[C@H]4CCOC4)CC3)C2)C1 1586456268 MTAIZWPHHSKBGC-HOVNMXBBSA-N 446.592 2.390 30 10 IEEE COc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 1586904335 QLUPRNWMGYVIHU-LDBYXDLTSA-N 436.578 2.126 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CCC)C1 1587615449 VECLQBMFDXTDJP-ZWKOTPCHSA-N 443.621 2.428 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1587702174 PILJBQULEGSPOC-QHCPKHFHSA-N 441.580 2.486 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1593746431 FBFKNZMWAFBKGE-JOCHJYFZSA-N 440.527 2.487 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1595116742 VCYDNVFJGIIWTH-HXUWFJFHSA-N 425.533 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC(C)(C)C1 1595517287 WAPKJOUNSKSLQE-UHFFFAOYSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595523112 PUIBQWUTIINBPD-ZHRRBRCNSA-N 429.496 2.161 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC[C@H]1C 1595545338 VRMBMJONZBLPSY-ZWKOTPCHSA-N 438.580 2.379 30 10 IEEE Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C#N 1597464881 QGSBJHNHERSFBB-LJQANCHMSA-N 428.470 2.244 30 10 IEEE Cc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)o1 1612036694 HMCBGCMLRJGYJZ-HNNXBMFYSA-N 444.517 2.125 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1613237482 DKYVPAYIZVJAQD-YWZLYKJASA-N 431.516 2.488 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1 1613787982 FBVOOSPLVDEMEU-DENIHFKCSA-N 437.592 2.262 30 10 IEEE C#CCN(C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C1CCN(C)CC1 1617454419 OBGLILYOHZCEBT-HNNXBMFYSA-N 441.391 2.415 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1619602334 DZPFJDLVKCYWFN-PCCBWWKXSA-N 441.532 2.283 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCSC 1620110132 IWRIUPKCCQXHPL-UHOSZYNNSA-N 434.610 2.322 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)OC 1623579110 BUDFXEAFJJFCBF-QZTJIDSGSA-N 432.517 2.450 30 10 IEEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC2=O)c1 1624129162 CAJSDKLXGYYCNO-SFHVURJKSA-N 434.496 2.277 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC[C@@H]2Cc2ccccc2Br)c(=O)nc1O 1626833556 BNSVBQKSXJODBZ-OAHLLOKOSA-N 431.290 2.207 30 10 IEEE C=CCC[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1627751578 DQNJZPWFJZNPEU-HNNXBMFYSA-N 437.290 2.449 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 1628553939 FKSLHPFKBFNLNI-MRXNPFEDSA-N 433.461 2.172 30 10 IEEE N#Cc1cn(CCNC(=O)c2cc(-c3ccc(Br)cc3)ns2)c(=O)nc1O 1630035116 POCGEQRCQNLFNU-UHFFFAOYSA-N 446.286 2.137 30 10 IEEE CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1630190421 GBSKXPOCJSOOKM-MRXNPFEDSA-N 438.550 2.036 30 10 IEEE C[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[C@H]1N1CCN(C)CC1 1631784443 RNWLCRGHKCZZPG-HSALFYBXSA-N 435.613 2.448 30 10 IEEE C#CC[C@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1632038877 XUVXTWBGAUNPRZ-KRWDZBQOSA-N 449.573 2.302 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1sccc1Br 1633248130 HMXGVTNLUOWUCY-UHFFFAOYSA-N 442.360 2.298 30 10 IEEE CCN(CCOc1ccccc1OC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1633959203 GMWYRMYBAOXKMJ-INIZCTEOSA-N 431.514 2.161 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)C1=O 1635209488 HPQGHOQVYRXKLL-GOSISDBHSA-N 441.532 2.306 30 10 IEEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1636391806 XUUZQFQBLJDWJT-PXAZEXFGSA-N 441.431 2.251 30 10 IEEE C#CCNC(=O)C1CCN([C@@H](C(=O)OCC)c2nc(Br)sc2C)CC1 1642861537 DECIRFLZKPZECH-CQSZACIVSA-N 428.352 2.280 30 10 IEEE Cc1c(C#N)c(=O)n(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n1CCO 1644183422 GTQURKDZFRNPSN-UHFFFAOYSA-N 427.464 2.083 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 1644587466 MAUYIDPNCFUHOF-RBUKOAKNSA-N 427.505 2.392 30 10 IEEE C#CCN1CCC(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)CC1 1644948903 WLZIODZSOGQDCJ-UHFFFAOYSA-N 436.541 2.287 30 10 IEEE C#Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 1661255245 KSRJYWKMHXKNLB-HXUWFJFHSA-N 430.526 2.037 30 10 IEEE C=CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1667315230 HHGRSSGBYFADSQ-IRXDYDNUSA-N 437.562 2.419 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)CC2)c1C#N 1684615780 DHCFHPBQTOLBRF-GHTZIAJQSA-N 435.576 2.200 30 10 IEEE C#CCN(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 1686899784 QIORGQONUHODIL-WCXIOVBPSA-N 426.579 2.211 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1689906501 NIHCUXIMEDKJIE-QHCPKHFHSA-N 446.596 2.364 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1689912827 BLLLKLYGYWHEQX-IEBWSBKVSA-N 431.562 2.188 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1689982468 OCAYIPLRFRWANA-HXUWFJFHSA-N 441.557 2.260 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689990959 UASAKEVASMPQOR-MRXNPFEDSA-N 447.527 2.057 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(=O)NC 1690035573 CZKZIMJECWWXNQ-UHFFFAOYSA-N 431.338 2.271 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nncn2CC)CC1 1690133316 BMEGDKMGZGHXED-UHFFFAOYSA-N 436.589 2.294 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 1690155256 IFRHTEWLALXJHO-UHFFFAOYSA-N 431.587 2.082 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1690181449 YTPHMVBDTSQLEL-QHCPKHFHSA-N 439.585 2.173 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690467347 UEGASGMZNYSAHQ-UXHICEINSA-N 430.597 2.304 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690480903 QTRYXXRVWSJMLG-CALCHBBNSA-N 434.566 2.054 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCOC1 1690571807 JPEYHUMVDWDJSO-GREBRCKQSA-N 446.523 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690717555 JMLXKAYZLDFKEG-YPMHNXCESA-N 446.346 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COC)C1 1690720059 ZDGCDBODEULXMI-CQSZACIVSA-N 425.942 2.067 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1690747068 SBOPWGVVYGOITN-IRXDYDNUSA-N 443.639 2.157 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1692511886 DOIYKRWANWCTKR-UHFFFAOYSA-N 438.410 2.277 30 10 IEEE CC[C@]1(C)CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1694453661 BECSVXISLKYQFC-ZSVKVYQISA-N 430.553 2.398 30 10 IEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1695045046 FZYFMALYXGFELZ-VGOFRKELSA-N 427.505 2.279 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567488 XAJHHAQVUNIFJG-NHCUHLMSSA-N 442.585 2.432 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1705611625 KUMUWXICYYMWLH-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N2CCCCC2)CC1 1705633917 BRUXTIBEFLEXFC-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705652114 QBWUEBVJOZHPAV-UHFFFAOYSA-N 447.996 2.158 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705902089 GBUBXMKTOAKDAI-IBGZPJMESA-N 449.559 2.108 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)C1 1705924472 DCCGMBKJMBDXMT-FRQCXROJSA-N 426.608 2.247 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705941778 VXFWWLHHKKHPDQ-HNNXBMFYSA-N 436.559 2.216 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1709763025 YQHZVBXPBSFGHW-LJQANCHMSA-N 444.605 2.420 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)c1 1711703247 KWISEKYQWRMFLP-IAGOWNOFSA-N 435.431 2.115 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712184827 QRVPHTMFNAKNNR-QFBILLFUSA-N 432.475 2.451 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1OCCOC 1722342757 XGSCIAIZYQRHOJ-UHFFFAOYSA-N 434.500 2.377 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722354757 YDMYPXXQFPDATF-UHFFFAOYSA-N 435.532 2.453 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@@H]1C 1722409537 CFKICFGOUOSGEW-KKSFZXQISA-N 430.578 2.249 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1cc(C)cc(C)c1 1722418870 GGVBCJFHZQWCPT-UHFFFAOYSA-N 425.533 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnn(C)c2)CC1 1722435801 PWWWRDRJKKIYEJ-UHFFFAOYSA-N 449.559 2.278 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722438268 PGVLFMXFTPCMNQ-GOSISDBHSA-N 439.564 2.317 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1722445497 SCPVXIHFYAMQAS-QFIPXVFZSA-N 449.603 2.426 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1722455829 XAEIIEVJLBKPGF-KRWDZBQOSA-N 443.573 2.421 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722462529 VKCOIGRMJWORFL-NRFANRHFSA-N 431.512 2.230 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1722535565 KJQRXJQOJUEQKL-IBGZPJMESA-N 429.569 2.227 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OCC)CCOC1 1722622424 JKJBJSDREXUVNM-QFIPXVFZSA-N 429.521 2.452 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1722699714 MSAIOLSMYFMWMN-UHFFFAOYSA-N 427.509 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722729546 OIVKEQKSUYVIKG-MOPGFXCFSA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1722730340 PAXSTWRPEMGDOG-UHFFFAOYSA-N 449.543 2.296 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1723769609 LRBBYYFTLALCBP-ZWKOTPCHSA-N 435.532 2.306 30 10 IEEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1728212262 NCJCRDXKNLEQIZ-ZHRRBRCNSA-N 442.495 2.463 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C[C@H]1C 1728615393 XMSLBXMLHCKJRP-QGZVFWFLSA-N 433.516 2.257 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1729304091 DWXDTOAPXKJSGO-UHFFFAOYSA-N 432.532 2.408 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCS(C)(=O)=O 1740603163 IONBIPYPHTVVSH-HNNXBMFYSA-N 436.603 2.262 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1c1cnn(C)c1 1740634799 FODHBABDGDFODA-LJQANCHMSA-N 429.528 2.429 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOc2cccc(OC)c2)CC1 1740695682 AWBOIKKGPSQMFQ-FQEVSTJZSA-N 439.560 2.405 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)CC1 1740839536 KSHNXVXLFJRASZ-KRWDZBQOSA-N 448.568 2.077 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1740857854 DFKHOPACFCEDPL-QGZVFWFLSA-N 448.593 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740986765 GSQLHKNLNUYHFC-QGZVFWFLSA-N 441.598 2.307 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1741005662 NIZBROXFDDMEDP-SFHVURJKSA-N 447.586 2.271 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCC2(F)F)CCOC1 1746733016 DINBFDNXPLPGPF-TXPKVOOTSA-N 425.480 2.484 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1748772240 RIICYLIHPOSGDC-QFIPXVFZSA-N 430.505 2.074 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1748809612 ONDFBDRFYXFVLV-XFHJGTJQSA-N 442.541 2.309 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748820633 GIHAGGFOULIMGA-QGZVFWFLSA-N 436.603 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCc2ccccc21 1748874664 BMNYRPINIFBYEN-VWLOTQADSA-N 440.507 2.222 30 10 IEEE COCc1nc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)cs1 1749451475 SABMWVIRITXCJE-AWEZNQCLSA-N 431.909 2.373 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1749494232 PTFMQJVJRPORIA-HNNXBMFYSA-N 447.540 2.397 30 10 IEEE COCCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C#N)CC2)cn1 1749851704 IWLWAMWBMASGOS-UHFFFAOYSA-N 436.476 2.484 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)c(F)c2)CCOC1 1751027822 ZIPUBSYYCRMUBJ-IERDGZPVSA-N 433.459 2.374 30 10 IEEE Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1)C2 1751655273 MBWAYWXNSSAERG-HNNXBMFYSA-N 440.529 2.272 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)n[nH]1 1751788007 JCVORHOTPVTPHR-UHFFFAOYSA-N 444.341 2.455 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CCCO1 1752396799 AWMDVPURSACIKB-ROUUACIJSA-N 439.564 2.018 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1752396800 AWMDVPURSACIKB-ZWKOTPCHSA-N 439.564 2.018 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760125497 ZMPHBWHYSLLWAX-WOJBJXKFSA-N 439.560 2.427 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760332686 KZCQENUCRCRMGY-UHFFFAOYSA-N 433.516 2.006 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(C)c1C 1760526885 VVBOBUFCFZXQKW-UHFFFAOYSA-N 437.548 2.454 30 10 IEEE C=CCNC(=O)Cn1c(N2CCSC(CC)(CC)C2)nnc1[C@@]1(OCC)CCOC1 1760528857 ORKNBCSBDPWJQF-OAQYLSRUSA-N 437.610 2.344 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760528996 SWEVDLZEDHHGNE-AJYBTWMASA-N 430.597 2.172 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(N)=O)CCOCC2)C1 1760537408 NJISCWYGLCEQFO-LJQANCHMSA-N 441.532 2.017 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NCc2ccccc2)C1 1760544685 FKBNXEANKYNMPE-FQEVSTJZSA-N 435.532 2.166 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCOC2)C1 1760550102 SACYUNGOCJKPFR-XXBNENTESA-N 428.533 2.407 30 10 IEEE CC(C)c1nnc(N2CCOC3(CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760940282 LADBREZDSUWECQ-ZZEZOPTASA-N 428.537 2.467 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(F)(F)C2)CCOC1 1761291667 MUCLERNCTHVXMA-TXPKVOOTSA-N 425.480 2.483 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1762301323 CPKUHORRESHGBO-AUSIDOKSSA-N 440.548 2.223 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C[C@@]2(CCOC2)O1 1763177746 LGNOAMLXUYDRHA-WZONZLPQSA-N 441.532 2.276 30 10 IEEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1766141698 QCUQTHDFTRUQNK-LJQANCHMSA-N 449.559 2.180 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1766648502 YHSCKEFCXHGMCC-LPHOPBHVSA-N 429.546 2.421 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)C1=O 1769054544 NJTBDGJCVHYSAV-HXUWFJFHSA-N 430.459 2.443 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4F)C3)CO2)nc1 1851782603 GMQDBOYAQMNXGU-ZFWWWQNUSA-N 430.823 2.462 30 10 IEEE CN(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)c1snc(N2CCOCC2)c1C#N 1852817103 SWRWVEBDAPMXCU-VQIMIIECSA-N 439.541 2.424 30 10 IEEE C=CCC1(S(=O)(=O)N(CCn2nnc3ccccc3c2=O)Cc2ccc(F)nc2)CC1 1853494902 IVUAEBGTVWGWEE-UHFFFAOYSA-N 443.504 2.266 30 10 IEEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)c3cc(OCC(F)(F)F)ncn3)C2)CC1 1853688439 XMCCFPMGCWSGQC-CQSZACIVSA-N 425.411 2.032 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCc3ccccc3)[C@@H](C)C2=O)cc1C#N 1856330194 OOQNFHNGPCZIKG-KRWDZBQOSA-N 425.510 2.112 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862630468 UTGGOJFAXKBWAL-JEOXALJRSA-N 427.409 2.089 30 10 IEEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870095458 LPNGTKOEYPARKN-UHFFFAOYSA-N 430.833 2.499 30 10 IEEE COC(=O)c1cc(C(=O)OC)cc(N2CC(=O)C(c3nc4cc(C)ccc4n3C)=C2N)c1 1872730643 HWWDCUJLBAUIGF-UHFFFAOYSA-N 434.452 2.172 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 1887534676 YHFZSCGAUBHTDR-UHFFFAOYSA-N 431.323 2.099 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c(Cl)cc3F)CC2)CC1 1890581400 HMOPJTSFWVXTJI-UHFFFAOYSA-N 425.907 2.490 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)C1 2020888861 PKEAZXBAUWEVLN-HOTGVXAUSA-N 439.553 2.334 30 10 IEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224127042 FKACCRLVHJZXDD-UKRRQHHQSA-N 436.314 2.214 30 10 IEEE CC1(C)OB(c2cccnc2NCCn2cc(I)cn2)OC1(C)C 2224129748 INESNJUFCNOYOT-UHFFFAOYSA-N 440.094 2.294 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2247832659 RZOJHNFWPYUMPW-STQMWFEESA-N 435.355 2.276 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255638855 MIGXMMFXCASCSM-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CC[C@H]3OCc3ccccc3)c2)OC1(C)C 2255745654 PAYLVXAPVOPOBF-VQTJNVASSA-N 444.362 2.407 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255811670 KDZRQUVFWNCKAY-KBPBESRZSA-N 449.382 2.285 30 10 IEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255814535 ZJUABISZFPHCNW-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256613367 IUIQJDAPAAZSMT-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCOC1 2256618988 USUWEBZLWQQTAQ-NRFANRHFSA-N 433.314 2.003 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267120497 LHYBSTMLZAZRHG-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267147202 SRHXSNUMDHJRJY-QLFBSQMISA-N 446.357 2.084 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267147586 VXQBGTWWXFWENU-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NCCCOCCOCc2ccccc2)OC1(C)C 2267266142 BCDSQDOYXWGJRU-UHFFFAOYSA-N 441.337 2.129 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)n1 2267524578 RVEIDFJUSIBVGJ-UHFFFAOYSA-N 436.365 2.160 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]1C2 2267530867 HIDRUBASFXBHOO-RRFJBIMHSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2267604291 FHKOXCSUMYOLSD-INIZCTEOSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2272652261 RKBVQHSPEFNNCH-IQMFZBJNSA-N 443.353 2.368 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCCCC(=O)O)C(=O)[C@]12C 2297591152 NDECAKZQMZKBRI-HSZRJFAPSA-N 443.452 2.413 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)cc2OC)cc1 2329260287 DHEULMJDZXBUSS-UHFFFAOYSA-N 441.513 2.354 30 10 IEEE Cn1nc(I)cc1[C@@H](O)[C@@H](N)C#Cc1ccc(Br)cc1 2360934406 QYQARQQKNPGOTN-FZMZJTMJSA-N 446.086 2.200 30 10 IEEE C#CCn1/c(=N/C(=O)c2cccc(OC)c2OC)sc2cc(S(C)(=O)=O)ccc21 9829797 CWUSQBZIVPGZQU-MRCUWXFGSA-N 430.507 2.498 30 10 IEEE CCN1CCN(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)CC1 170056296 NHLRIWAHFPHENU-UHFFFAOYSA-N 446.507 2.497 30 10 IEEE COc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c1 170431170 TXGXXOGZENCNPX-GOSISDBHSA-N 430.482 2.468 30 10 IEEE CSCC[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccccn1)N1C(=O)c2ccccc2C1=O 170498120 KOJZOGDANODMGV-KRWDZBQOSA-N 446.492 2.495 30 10 IEEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 430936376 UQKHISUWEQRLDK-TVLQYADYSA-N 426.517 2.027 30 10 IEEE COc1cc(OC)c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 447072613 LYJAYQCVEMUIMQ-UHFFFAOYSA-N 448.476 2.253 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 460543358 INVAUYRERZYZMW-GDBMZVCRSA-N 445.593 2.213 30 10 IEEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460570317 FKORRKNONBUFPS-UHFFFAOYSA-N 433.578 2.337 30 10 IEEE CCN(CCC#N)C(=O)CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469985726 ZYQQVMREGCXTCV-UHFFFAOYSA-N 427.332 2.279 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)C1=O 473794443 CTOSXGYELDOZEQ-HBMCJLEFSA-N 448.523 2.358 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480454889 RBIKJRMQSICWQQ-QGZVFWFLSA-N 441.557 2.006 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508797969 QDMZIYFVQIOGRC-ZBFHGGJFSA-N 440.483 2.275 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 513787497 ZWCKGHUNNDKIRD-UHFFFAOYSA-N 447.944 2.209 30 10 IEEE COc1ccc([C@@H]2CCCN2C(=O)CN2CCN(c3ncccc3C#N)CC2)cc1OC 532902241 XVUZBNFPGUQREX-FQEVSTJZSA-N 435.528 2.456 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1=O 542123684 QDVMDIDGRFKNDT-QGZVFWFLSA-N 433.434 2.281 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCc1nnc2n1CCCC2 543439808 UHKYNMHYNGUIJV-UHFFFAOYSA-N 448.321 2.385 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 549706532 XYELHPQCUJDKIV-OAQYLSRUSA-N 429.546 2.031 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603798714 FNHSCLDXQUMPKH-UHFFFAOYSA-N 448.504 2.143 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1S(C)(=O)=O 604540399 SZYJTQWEFIMCER-KRWDZBQOSA-N 429.523 2.424 30 10 IEEE CNC(=O)c1cncc(/C=C\C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 731981980 NFSQREKCMOCJCU-SREVYHEPSA-N 426.480 2.223 30 10 IEEE Cn1c([C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc2)nc2ccccc21 732457442 HEKPFIFSDIDCQO-VLMSHNLISA-N 444.495 2.488 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cs1 732898965 MCGMCKYNTVBFAW-UHFFFAOYSA-N 436.515 2.299 30 10 IEEE COC(=O)[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 740176539 RRYFADCFCYCIMC-FQEVSTJZSA-N 442.493 2.416 30 10 IEEE COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1C#N 746877035 HFEOVAXEHJOROB-UHFFFAOYSA-N 429.498 2.290 30 10 IEEE COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747495388 QBAUJSGNIIBRHU-UHFFFAOYSA-N 436.468 2.209 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 749789232 UNPSLQCFTTZTKL-ROUUACIJSA-N 436.553 2.250 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)nc1 761019877 BYVSQTBBGCJCLJ-SFHVURJKSA-N 431.470 2.038 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)CC1 766109148 QZKXZDOVDOBEAH-UHFFFAOYSA-N 436.597 2.298 30 10 IEEE C[C@@H](C#N)Oc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 768154941 CCIWSGYJUDXJFR-INIZCTEOSA-N 430.486 2.392 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C=C)c3)c2=O)c1 772302764 QONARGODTCVNPP-UHFFFAOYSA-N 426.501 2.050 30 10 IEEE C/C(=C\C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc([N+](=O)[O-])cc1 783799635 LQZYHQJQQUWUPH-JQIJEIRASA-N 440.481 2.403 30 10 IEEE CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784973826 FHYURLDHEBZCFD-IHIJCHFRSA-N 432.546 2.253 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C1 786567962 FYNPJZKQHRBEBN-CQSZACIVSA-N 437.443 2.316 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786682910 MSYIVOOZPBRZEE-KRWDZBQOSA-N 435.571 2.030 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N(C)C(C)C)nc1 789968862 RBWFDUTVGLXABU-UHFFFAOYSA-N 428.566 2.404 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC3CCN(c4cccnn4)CC3)c2)s1 807249776 GXMAETJDCXOXAG-UHFFFAOYSA-N 446.536 2.478 30 10 IEEE COC(=O)c1nn(CN2CCN(c3snc(C)c3C#N)CC2)c(C)c1Br 811786048 ODWDXWFTOFAQJJ-UHFFFAOYSA-N 439.339 2.157 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2COc3ccccc3O2)cc1 916715623 SPXAGZKSBCBWLS-UVPKWBSNSA-N 444.513 2.461 30 10 IEEE CCOc1ccccc1C(=O)NCCCC(=O)NS(=O)(=O)Cc1ccccc1C#N 916775088 KHPRVLJFNZLYOO-UHFFFAOYSA-N 429.498 2.113 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC(=O)COc2cccc(C#N)c2)c([N+](=O)[O-])c1 916958797 CBQOUNPJEABMAQ-UHFFFAOYSA-N 433.442 2.481 30 10 IEEE CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 921172729 LGFJWYWRHTXRMV-UHFFFAOYSA-N 429.498 2.084 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)c(C)c1 1084615385 GPMUNJKLVBRCJI-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 1124388833 BHLIIKBVLIGWFC-ZWKOTPCHSA-N 429.473 2.460 30 10 IEEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1129748484 FQCOBQZYHWJUPR-OAHLLOKOSA-N 431.341 2.255 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 1130928681 GYBQITUSXWMZMB-UHFFFAOYSA-N 436.534 2.408 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1Br 1137567910 RYUCGFIGKUFDLL-MRXNPFEDSA-N 443.257 2.089 30 10 IEEE COCCN(CC#N)C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1141800745 HLSXBBFKPBSFMC-UHFFFAOYSA-N 427.280 2.292 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1156254921 RVIXQGLFZSDQLO-VGOFRKELSA-N 429.521 2.382 30 10 IEEE C=CCN(C(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)[C@H]1CCS(=O)(=O)C1 1208565445 GGTQUTDCZKIOSR-SFHVURJKSA-N 429.546 2.106 30 10 IEEE C#CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1214326700 KVQDEHWBGDHVNG-UHFFFAOYSA-N 449.451 2.182 30 10 IEEE C#CCN(C)CCCNC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1221858912 UWXGZJCCWFZCOW-UHFFFAOYSA-N 439.560 2.196 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1254482495 SWKUBNLNVRXOOF-HXUWFJFHSA-N 427.549 2.314 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(NC(C)=O)c1 1286407325 HJRWELXXWPULCM-UHFFFAOYSA-N 430.468 2.085 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1286408712 KJNVKKQETCLWNB-RBUKOAKNSA-N 444.539 2.420 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN(C(C)=O)C1 1286409454 MBNYKYQLUXPYIU-DENIHFKCSA-N 433.512 2.122 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286533499 HPKFKXCJKFJPIS-LBPRGKRZSA-N 435.282 2.429 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286557110 HDPPQVPDRDELLC-NSHGMRRFSA-N 439.626 2.223 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CC(OCC)C2)C1 1286810352 PTRCSKCHPMWRNF-QGLXBCBXSA-N 438.594 2.167 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1286917861 AFTSFNKIJFAFRP-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286965779 NTUFTHAQMZJEHT-BRWVUGGUSA-N 443.552 2.101 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1289323032 LFWNFFPOVHXJPP-UHFFFAOYSA-N 425.507 2.340 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)C2)cc1 1289362890 XECVQKIQXCRMMD-SFHVURJKSA-N 432.542 2.260 30 10 IEEE C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1291250078 NNTDVOOGDGRSCV-WSQOEDGESA-N 446.577 2.029 30 10 IEEE CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1295410620 LZWYMRODMYKYGC-LJQANCHMSA-N 425.537 2.040 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)/C=C/[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1296472266 NLHRGXOQYPHVHM-BLGFXRMMSA-N 442.564 2.452 30 10 IEEE C#C[C@H](CO)NC(=O)c1sccc1NC(=O)c1ccccc1I 1298584587 KTFCRAMCSWEYHY-SNVBAGLBSA-N 440.262 2.329 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300400107 CRNVLISNOAJROB-UHFFFAOYSA-N 439.495 2.349 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300506819 ZUUSEWLLBDCZGT-SJLPKXTDSA-N 434.949 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(C(N)=O)nc1 1300521369 WBXOHYYDXPNRRE-UHFFFAOYSA-N 434.887 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1300718567 STGKFHPXMQTPKZ-LJQANCHMSA-N 445.571 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC2CC(OCC)C2)CC1 1300719910 VEULGXWLMACYHX-UHFFFAOYSA-N 438.576 2.455 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(N)=O)C1 1300743006 DRFYCBZRVKUWJJ-KRWDZBQOSA-N 435.557 2.403 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CO)CC1 1300760423 ARYDCRHUDQMJMX-UHFFFAOYSA-N 441.605 2.027 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1301010031 RGJALKKQUXDYNL-FQEVSTJZSA-N 445.589 2.357 30 10 IEEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 1301050842 FKAPKMUJMWPSGC-UHFFFAOYSA-N 428.924 2.329 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1301141404 MODLKHBOWPUTDD-SFHVURJKSA-N 435.536 2.238 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1301500255 KNEOSEWXCNZBPG-KRWDZBQOSA-N 428.493 2.061 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(Cl)cccc2C1 1301585210 IMHFOCAFKOKNKF-KRWDZBQOSA-N 449.964 2.046 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1301586984 LBRRPODYHNHKRC-TZIWHRDSSA-N 429.590 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301589653 VPANZQVQBNVDRZ-KRWDZBQOSA-N 439.626 2.161 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)CC1 1303008765 AHPKIUGSGZRYAR-UHFFFAOYSA-N 449.559 2.351 30 10 IEEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1308113920 IRBUMLYDWNQKCB-NBGIEHNGSA-N 448.567 2.469 30 10 IEEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)nc1 1309831854 DLIMLEFXOYQYCK-UHFFFAOYSA-N 446.504 2.167 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1313963086 GHMZGDINFPLVKF-LJQANCHMSA-N 449.559 2.180 30 10 IEEE CN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1314759349 BBURLLICLDFSSC-CWFNNOHCSA-N 428.518 2.354 30 10 IEEE COc1ccccc1OC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1315647518 GYIHFAKALNGFAU-SJLPKXTDSA-N 437.504 2.131 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1316527668 NOVBNCSKXYLXKH-RZQQEMMASA-N 442.486 2.318 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1358932014 VRKWGYUTZDGEAW-QHCPKHFHSA-N 443.555 2.026 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(F)(F)CO1 1358940171 PXSDTWFHPZBNEG-AWEZNQCLSA-N 438.504 2.040 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1358976919 XELOODCLOMEOCV-GOSISDBHSA-N 428.496 2.093 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2C[C@@H]2C)CC1 1359029043 MWOCTBMNCFNUAA-FUHWJXTLSA-N 426.952 2.273 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@@H]1C 1359077499 DEEVGZZGTMEKBJ-SRVKXCTJSA-N 438.417 2.127 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)n(C)c2=O)CC1 1359172784 HWXFQXIJESTRCT-UHFFFAOYSA-N 433.516 2.383 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C 1360655807 KYFUTTCIQLXKCT-CRAIPNDOSA-N 446.577 2.211 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)CC[C@@H]1NC(=O)N(c3ccc(Cl)cc3)C1=O)CC(=O)N2 1436603997 QVUQEJFHHAAHPO-INIZCTEOSA-N 437.843 2.402 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)Cc1cccc(C#N)c1)C2 1439261170 DQYLNPZMSIBZCP-IEGUWTFLSA-N 427.501 2.406 30 10 IEEE C#CCN(C(=O)c1ccc2[nH]cc(I)c2c1)[C@@H]1CCS(=O)(=O)C1 1442020488 WYCWNWHNHGWQCR-GFCCVEGCSA-N 442.278 2.035 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1c1cnn(C)c1 1457094356 XMLHPCWNEFOMHW-DJIMGWMZSA-N 432.525 2.007 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)c1C#N 1457569290 KJFNNDZWMLZQRK-FDDCHVKYSA-N 436.516 2.421 30 10 IEEE C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1460722782 KPBJYOGXHFSLPH-FHJLPGHOSA-N 431.533 2.398 30 10 IEEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1460917968 WVFJIGLSDPWNDK-GOSISDBHSA-N 441.528 2.244 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1csc(I)c1Br 1468453431 OTGUAEMVPATWGI-ZCFIWIBFSA-N 445.076 2.225 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1478403070 HTHQAZXIPYKSCE-GJZGRUSLSA-N 430.534 2.210 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOC1=O 1495773693 IYFCNZIPSVCEHD-QGZVFWFLSA-N 438.536 2.227 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1496226181 HMATUNNKNRIWFH-INIZCTEOSA-N 437.548 2.084 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1504098926 NYYBMJVXQFCHRO-DOMZBBRYSA-N 445.911 2.334 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1504964353 HOICPACZBOXDJU-JTSKRJEESA-N 443.527 2.488 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NCCC)c1 1507664732 FJNDAVZQKNBGQI-UHFFFAOYSA-N 429.528 2.330 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc2c(c1)OCO2 1507678447 YBXYDKVOWRKENI-UHFFFAOYSA-N 434.456 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1507703999 LNSFAVRKQVISDT-UUOWRZLLSA-N 435.528 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CC(OCC)C1 1507708350 GZOADLDNCLQKNO-UHFFFAOYSA-N 437.544 2.453 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1508006560 HWADEQFHJDGABC-RDJZCZTQSA-N 449.602 2.308 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1508410690 FXLAWQRRQIPQEO-QTEQDKRBSA-N 448.612 2.271 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1508415705 DUDUIQKXWJUQRD-CQSZACIVSA-N 447.337 2.162 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1508424380 PDLGZYVSMBCJCP-HLAUDOPJSA-N 425.518 2.053 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1510294767 SLSZQMDMVFKRNK-LJQANCHMSA-N 427.505 2.320 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C)N(C)C 1510426183 HMAJHNWZQKDQAI-LSDHHAIUSA-N 432.598 2.235 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1513216575 FJKVWFZMRPTOQI-WIYYLYMNSA-N 449.552 2.323 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CC1(C(N)=O)CCOCC1 1517105423 HWOMGJRZFPOZKC-UHFFFAOYSA-N 445.527 2.054 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1538975943 FUKAIYGHXWFHBF-JTSKRJEESA-N 446.573 2.034 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(=O)COC)CC1 1539104572 LSYLEGDQXQCMLJ-UHFFFAOYSA-N 441.532 2.107 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1539219465 KDNBIBWVYQRFBR-SFHVURJKSA-N 448.564 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](F)COC 1539292036 YYFJCCLJJZJBEU-SFHVURJKSA-N 431.899 2.309 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539423330 XQTZVZJZCDSDCA-FDDCHVKYSA-N 444.507 2.420 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCO[C@H]2CCOC2)CC1 1539484409 OGLQSVZBFZSRJE-NRFANRHFSA-N 443.592 2.172 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1539506138 IAAXLXBGABFRAL-GOSISDBHSA-N 441.557 2.188 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540752992 SPVFCPAKCSFBQO-MSOLQXFVSA-N 437.585 2.023 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540870568 QGFBCAZJEAXYKF-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 1540870879 YZTWFMOSZBREMI-QZTJIDSGSA-N 438.580 2.237 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1540874415 GDGBBQPHLKHVOU-QFIPXVFZSA-N 429.569 2.083 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1541107021 DUXYVSGEWFBXBT-MRXNPFEDSA-N 446.577 2.107 30 10 IEEE CC(C)n1c(S)nnc1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543513670 VBUJLYSBUBOZID-CYBMUJFWSA-N 432.937 2.385 30 10 IEEE CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1545814702 FUVRKDXHXQPCFP-ACRUOGEOSA-N 446.596 2.385 30 10 IEEE CC[C@@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1546678552 SAYQDKKSYLBHOK-QBEKEKFNSA-N 438.536 2.045 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)CC1 1547728665 CNPTWVZCLBGINW-HXUWFJFHSA-N 436.608 2.277 30 10 IEEE Cn1nccc1C(=O)N1C[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@]2(CO)C1 1548366404 QYTDBFBBKWPWAG-QRWLVFNGSA-N 433.434 2.272 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)cc1 1554873545 VKQGHEJVBUWYMZ-FXAWDEMLSA-N 427.505 2.126 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)n(C)n1 1556415336 PTNQFXRPEKPUTN-LJQANCHMSA-N 429.565 2.464 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 1561260457 DVLTWUCQZYDSJK-ZBFHGGJFSA-N 441.347 2.159 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1587568130 NLHVYZSCOFYHPR-YCRNBWNJSA-N 442.564 2.177 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2c(C)noc2C)c1 1587689310 FTVVEYUVXLLQPQ-UHFFFAOYSA-N 442.483 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1CCN(C(C)=O)CC1 1588159536 YEAYBXNEQADIQG-UHFFFAOYSA-N 433.556 2.403 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1589109728 JDBAEDKVSUZQGE-OALUTQOASA-N 431.606 2.410 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@H](C)CC 1589185645 FOYZIPTUJCLJTR-UZUQRXQVSA-N 447.547 2.218 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1589482198 HJYUDSOFUJBHFC-HOCLYGCPSA-N 442.358 2.016 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1593914203 FDMVSTXUJUIVFE-GOSISDBHSA-N 436.925 2.053 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1595544227 GENPQLITESDANM-NHCUHLMSSA-N 434.544 2.415 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cnc(C)s2)nnc1[C@]1(OC(C)C)CCOC1 1595595720 YNDMEQPFXHPKIF-FQEVSTJZSA-N 434.566 2.022 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1595913906 PMPWDMPROWPQKL-HSZRJFAPSA-N 444.532 2.484 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1613009538 CDASBWQNMQUQQF-INIZCTEOSA-N 426.521 2.116 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1C[C@H](F)C1 1618358950 OODDURZCXMTNCS-QAQDUYKDSA-N 435.525 2.348 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1618888723 SYMUADPOXNXZAJ-WIYYLYMNSA-N 449.511 2.327 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1OC 1619210880 LSHINAXFEVMAOV-CABCVRRESA-N 435.431 2.115 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1619813945 MGFSTYFCAPTIHH-UYAOXDASSA-N 438.532 2.260 30 10 IEEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 1622609032 AGOLHLUVXPGLEB-IBGZPJMESA-N 428.510 2.472 30 10 IEEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1622819899 UFFOGGLMOJJPFU-MRXNPFEDSA-N 438.550 2.325 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)C(=O)OC(C)(C)C 1625752228 NDGYIILMQIUYDT-UHFFFAOYSA-N 437.562 2.250 30 10 IEEE CC(C)CCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1627321219 HBLAMLOPXCISPL-FGTMMUONSA-N 441.594 2.445 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1627894127 PRZVRHWRNARYHO-MAUKXSAKSA-N 437.562 2.421 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(Br)c(CO)c1 1628062755 WOIAZNQWVNOJSV-UHFFFAOYSA-N 438.303 2.009 30 10 IEEE C=CCC1(NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CCOCC1 1632362615 GOWHTWNGTJZUIH-UHFFFAOYSA-N 446.573 2.311 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 1636227554 NIDORONMVLEPIK-OPGJMIRHSA-N 432.473 2.192 30 10 IEEE C#CCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc1 1636915421 DUAZDQNSADOXIW-UHFFFAOYSA-N 430.511 2.224 30 10 IEEE Cc1c(C(=O)NCC#C[C@@H]2CCCCO2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1637186275 PYDWDUFHTKAFHN-SFHVURJKSA-N 431.537 2.461 30 10 IEEE CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n[nH]1 1637413016 DLKNEHKZZPLGSB-NVXWUHKLSA-N 429.546 2.478 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1637757678 NJFHSPUXLKPCKI-HXUWFJFHSA-N 429.542 2.485 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1639600391 FHMWMZCCVJWRRM-CFKBNGTGSA-N 432.521 2.199 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)ccc1OC 1639989033 FIPVHAUWKDQEGY-UHFFFAOYSA-N 448.570 2.440 30 10 IEEE CC#CC[C@@H](CO)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1640793971 HYEVVAJSCDXPQJ-IBGZPJMESA-N 434.945 2.421 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c1cc[nH]n1 1640948907 FMJOYEAXGDSEHI-OAHLLOKOSA-N 438.525 2.346 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1641910564 NFCYINYPDJHQPP-KPZWWZAWSA-N 437.294 2.085 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1 1644024542 MHYNAECFGPYSFK-MXVIHJGJSA-N 426.494 2.111 30 10 IEEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1644078722 UVEUOCCDJLAVAQ-KDOFPFPSSA-N 437.880 2.422 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCn3nc(C(F)(F)F)cc3C2)CC1 1648509373 IRRQTAIWYSEAPP-OAHLLOKOSA-N 438.479 2.188 30 10 IEEE COC(=O)c1sc2[nH]c(CN3CCN(c4ccc(F)cc4C#N)CC3)nc(=O)c2c1C 1654542874 DFGBIEDBLSFNLM-UHFFFAOYSA-N 441.488 2.413 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1c1ccncc1 1659975895 YXKBYJBAAPKUBC-WMZHIEFXSA-N 436.535 2.140 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ncc(Br)cn1 1660171329 SEOCTQGCMOYDOG-OAHLLOKOSA-N 449.378 2.141 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)c1 1689828786 ROHDDTGUAJBVGA-OALUTQOASA-N 427.549 2.345 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC1 1690107940 IZXFPJMABMCXAZ-OKZBNKHCSA-N 433.553 2.171 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(C(F)F)c1 1690993631 OGPMNNYICWVHNR-STQMWFEESA-N 426.493 2.470 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1696495829 HEQXRBUCLZRONP-MRXNPFEDSA-N 446.577 2.150 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1696724561 WRVGXCYLTXRRSL-MSUUIHNZSA-N 446.943 2.125 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(F)(F)F 1697132790 PZIIXCBRXFXIBW-XJKSGUPXSA-N 436.438 2.451 30 10 IEEE N#CC1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)CC1 1698490120 KXQQLDXOBOLZBP-UHFFFAOYSA-N 432.488 2.001 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1705561595 RUQMUBMHSPSDKX-IBGZPJMESA-N 441.557 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(F)c1 1705589701 VBLASHFWJXLWSB-KRWDZBQOSA-N 445.564 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NCC 1705597392 DIRFHXXACLGRAS-HXUWFJFHSA-N 435.528 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705627032 ROHHRSFIUBZLSR-UHFFFAOYSA-N 443.515 2.067 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1705642877 KGCKXIYXJZMTPT-IBGZPJMESA-N 438.576 2.104 30 10 IEEE C=C(Cl)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760302 FYBJHOXXVCDLMM-VQIMIIECSA-N 447.001 2.475 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1707933848 ASRWJKIREPLCQW-UHFFFAOYSA-N 428.518 2.493 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1708741973 OAUGDGBQMGQGPO-INIZCTEOSA-N 441.536 2.062 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1711073686 DAJANDXAYSVTRY-QGZVFWFLSA-N 440.504 2.271 30 10 IEEE COc1ccccc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1711990320 QEFOSYJSNWPSKT-MRXNPFEDSA-N 441.513 2.338 30 10 IEEE COCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1712395505 SXYGDICVMZHTBM-FOIQADDNSA-N 438.504 2.065 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](OC)C(C)(C)C 1712648212 GCCNHUHALGPDDD-FFGOWVMKSA-N 446.596 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(S(C)(=O)=O)cc1 1722285849 ZOKSPLGHAMUSLX-INIZCTEOSA-N 445.589 2.301 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364953 JSCFLAGTDNAPMU-PMACEKPBSA-N 448.564 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722383181 IXPQFORKEAOYLI-HXUWFJFHSA-N 441.539 2.005 30 10 IEEE C#CCSCCn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1[C@@]1(OCC)CCOC1 1722463538 FTTVXXITBWTIIO-PGRDOPGGSA-N 443.573 2.349 30 10 IEEE C#CCSCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1722463645 IRMUPHDXDMHLIT-UHFFFAOYSA-N 426.594 2.182 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722729466 LLUBCJVQMFTXGW-GOSISDBHSA-N 433.578 2.116 30 10 IEEE Cc1c(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cnn1CC(C)C 1724148918 NHTBOOKPRWTLCO-NRFANRHFSA-N 428.516 2.052 30 10 IEEE CCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1727909358 DRNVYPSXUYBXIP-VXKWHMMOSA-N 442.543 2.445 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC)C1 1740668905 DOMHVVAMISXXRE-QGZVFWFLSA-N 429.594 2.040 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1740671868 QDMNSAGFYPMRLL-UGKGYDQZSA-N 439.560 2.487 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)CC1 1740818013 ANCZBWLCPAOLSK-INIZCTEOSA-N 431.562 2.166 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740886452 HZNFLFYGAGZAFT-QHCPKHFHSA-N 437.548 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC(C)(OC)C1 1740988355 BMBHOPDNLJFYGN-UHFFFAOYSA-N 427.530 2.319 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741392370 OMBKSUDXJZTONE-WFJJUKAGSA-N 428.537 2.323 30 10 IEEE CCCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745547935 IELFJXRWBQFVGV-QGZVFWFLSA-N 435.536 2.467 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOc1ccccc1 1747193680 HFHYFBDMTHTPRY-SFHVURJKSA-N 448.531 2.270 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1748811490 HVZYUGKTRKOMRZ-INIZCTEOSA-N 442.570 2.088 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccnc(OC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1748817031 CNTFCBMMSNPDAF-SFHVURJKSA-N 443.573 2.232 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748820104 ZEKUUXBJKXJQFE-LEWJYISDSA-N 440.569 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1748891958 WQZPUWRHRLZQTB-IBGZPJMESA-N 437.544 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(F)c2)CC1 1749009872 WWIFALMYBVFELO-UHFFFAOYSA-N 433.491 2.083 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749032834 RETIDSQJEBLOQM-OAQYLSRUSA-N 426.521 2.282 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749123638 GZMQBYKERJZQEN-UWJYYQICSA-N 441.532 2.270 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1749566002 UUTHLXHHZREJBF-QFIPXVFZSA-N 439.541 2.221 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749609463 PTRSXZQIKPZWGD-NZSAHSFTSA-N 431.562 2.243 30 10 IEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)C1 1749745901 LBEIEOZQPIPFLK-UHFFFAOYSA-N 425.356 2.233 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(N)=O)c1 1760122104 XAZTZUDOTUQJOJ-QGZVFWFLSA-N 427.512 2.316 30 10 IEEE C#CCCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760162122 ZNQSDJHIDGFDSK-IXFSTUDKSA-N 445.564 2.458 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc(Cl)c2c(c1)OCCO2 1760247827 QOYGYEIAENLEJL-UHFFFAOYSA-N 440.891 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@@](=O)CC)CC1 1760267006 QVBIPILRILLGFW-PMERELPUSA-N 447.992 2.333 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)[C@H]1CC 1760279331 ZMWGHKXWOCBYJB-LJQANCHMSA-N 435.557 2.212 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1760353296 NACDKXUBEAFSFN-SFHVURJKSA-N 429.521 2.270 30 10 IEEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O)C1CC1 1760474235 QFDRLHXKUKYZCI-UHFFFAOYSA-N 445.593 2.042 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760505931 SOVKTQHEDJTRNA-UGKGYDQZSA-N 430.553 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1Cc1cccs1 1760555640 JSHBFFDKFDXBKW-NVXWUHKLSA-N 449.602 2.103 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)c(=O)n1C 1761791652 RHAHSPPTBDVIQK-IBGZPJMESA-N 434.500 2.009 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CC(F)(F)C1 1767930674 FLIUDDXHDMZCHP-UHFFFAOYSA-N 434.495 2.100 30 10 IEEE COC[C@@H](F)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770792137 NLQFLFHFIMIDJI-WBVHZDCISA-N 428.516 2.297 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1771347103 AVADEYOMXAZCQS-IEBWSBKVSA-N 443.573 2.381 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCCc2nc(C#N)ccc21 1849314312 QGEKENUHCUGPFV-KRWDZBQOSA-N 427.530 2.038 30 10 IEEE C=CCN(C(=O)c1nnn(-c2cc(F)cc(F)c2)c1-c1ccncc1)[C@@H]1CCN(C)C1=O 1850862435 JKWVBWKRPHWQPM-GOSISDBHSA-N 438.438 2.466 30 10 IEEE N#Cc1ncc(C(=O)N(CCCN2CCCC2)S(=O)(=O)c2ccccc2Cl)cn1 1851491106 NZVLVIGMRHUPGG-UHFFFAOYSA-N 433.921 2.319 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCN(S(=O)(=O)c3ccccc3Cl)CC1)OCO2 1851940243 CXUALVCFYBWUHH-UHFFFAOYSA-N 447.900 2.016 30 10 IEEE CCc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)cc1 1852011785 VKKYNBGZMFNMND-UHFFFAOYSA-N 445.527 2.384 30 10 IEEE CCOc1ccc2nc(N3CCN(C[C@H]4CC(=O)N(C(=O)CC#N)C4)CC3)sc2c1 1854348261 VTRJKTWKFSXOQE-OAHLLOKOSA-N 427.530 2.106 30 10 IEEE C=C[C@@H]1CCCCN1[C@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C1=O 1854567806 LRUZCVWONSHRNS-XLIONFOSSA-N 434.558 2.417 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)C3)C2)s1 1856309466 PALLABSTJNDZMU-WFASDCNBSA-N 432.443 2.155 30 10 IEEE N#CCC1CCN([C@H]2CCCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1857204910 WGDMWUNIBOQJQT-FQEVSTJZSA-N 431.558 2.384 30 10 IEEE C=CCN(CC=C)C(=O)CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1860333154 DJIKZMFAQVJQLE-UHFFFAOYSA-N 437.537 2.030 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1861574039 NDBRDVRZHJZEJS-UFUQCMIWSA-N 440.496 2.461 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCN(C)C)ncnc21 1873632686 IWHZAJKQQXVKPI-UHFFFAOYSA-N 447.499 2.069 30 10 IEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 1874277010 HWWSYZAOENWIMC-HJGVYBFFSA-N 447.561 2.463 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)c1 1874309306 OZRMPUNIRPCUAL-FSJBWODESA-N 439.497 2.230 30 10 IEEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1889669335 QBZAZFKHIYBFSU-INIZCTEOSA-N 444.022 2.408 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1890807752 FITNNIJAAKTXSH-LJQANCHMSA-N 446.500 2.186 30 10 IEEE N#CC1CCN(CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccccc2)CC1 1891612190 DCRRJBMFYXWQEZ-HSZRJFAPSA-N 434.540 2.145 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993233979 OFRWYPAQKCCHES-HUUCEWRRSA-N 425.526 2.039 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)nc1 2006308414 OYEKTRDWXQPMQS-UHFFFAOYSA-N 433.509 2.445 30 10 IEEE COc1cc2c(cc1OC)C(=N[C@H]1CNC[C@@H]1C(C)(C)O)NC(=C1C=C(F)C=CC1=O)N2 2060397647 IXTQNANZDPZION-RDJZCZTQSA-N 442.491 2.028 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)CC(CO)C1 2073616379 BMJBVFHOXUEBTR-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128723181 BGGJKPLVFOHFCF-UHFFFAOYSA-N 446.353 2.020 30 10 IEEE Cc1c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc(C#CCO)c1Cl 2138172939 CGNKNZZHXZMYLS-UHFFFAOYSA-N 432.885 2.030 30 10 IEEE C=CCn1ncc(N[C@H]2[C@H]3OCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2162349455 XFDVMSWMFLJBHI-QOWREQOWSA-N 441.326 2.284 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1 2174780178 RFNNOMZZHNSDDJ-HXUWFJFHSA-N 429.498 2.015 30 10 IEEE Cc1cnc(N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232323992 SMRSLIUOOSBIPS-QGZVFWFLSA-N 446.401 2.334 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2235733211 ZTKFGFRMQKMHEU-OKZBNKHCSA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247836894 JUZAVNMEXDIKEG-IMRBUKKESA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247908448 URHHNERRJUSDBP-STQMWFEESA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247918020 HPIITPQHBQFMTM-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CC#CC[C@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(=O)O 2248463284 OKXUGVHTEJXQFU-SFHVURJKSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@](C)(CO)C1 2254801452 JYKABTGXGPWYKU-QFIPXVFZSA-N 433.358 2.189 30 10 IEEE CCn1cc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652810 ZREGKOBDBWXURS-CQSZACIVSA-N 436.362 2.187 30 10 IEEE CC[C@H](CNC(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255655541 NUSWYZKVQDVFOI-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255705657 YLDQLDSPXPJLNL-XKQJLSEDSA-N 431.342 2.442 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 2255830620 ITYDNRVYWPIMBV-CHWSQXEVSA-N 436.362 2.059 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255842088 MRYPSGIGHHHWFQ-CMPLNLGQSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2C[C@H]21 2255870320 KHFFFVURVCBOME-IAGOWNOFSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256639442 NILNHBYBVNKOEL-CYBMUJFWSA-N 449.382 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2259355133 KJJLXESOEYTPJO-ZBFHGGJFSA-N 431.342 2.414 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267004217 BKIRONIYCFVGDJ-QWHCGFSZSA-N 441.259 2.052 30 10 IEEE CC[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267142137 PYXDJTOCEQNBGP-GOEBONIOSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2267167350 FGLMALVZUDQJTR-HNNXBMFYSA-N 446.357 2.294 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267198050 SNDYPFSEQPQFRA-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267529190 JRFZRDNUPNOUJL-HUUCEWRRSA-N 448.373 2.330 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1nccn1Cc1ccccc1 2267533043 NMCWEMLEWBLYQO-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE Cn1nc(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267546608 ZCMCGFJZXAVKNP-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267552784 VXBUSEAJUOVFEJ-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)CC1 2267563689 PNMXESVLAHRZSZ-QZTJIDSGSA-N 449.401 2.480 30 10 IEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876547 NQQDKHGNYBSLHP-JOCHJYFZSA-N 448.373 2.445 30 10 IEEE CO[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2268702660 WMMAYNOUWIMORM-QGZVFWFLSA-N 447.341 2.201 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)ccc2Cl)OC1(C)C 2282488258 BKRZJTHBAXITKN-INIZCTEOSA-N 443.758 2.165 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]12 2310283559 FZQVBITVSRZCPF-HKZYLEAXSA-N 430.314 2.018 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)n1 2315389645 FLPBZERPUFDCJT-KRWDZBQOSA-N 433.358 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](N)C#Cc2ccc(Br)cc2)(S(C)(=O)=O)C1 2351777386 OLROMWFJSFZPRB-OAHLLOKOSA-N 443.363 2.162 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccs3)n2N)cc1OC 21317943 LXCXETLISHPNGI-DJKKODMXSA-N 433.519 2.247 30 10 IEEE COCCn1c(O)c(C(=O)COc2c(F)c(F)c(F)c(F)c2F)c(C)c(C#N)c1=O 38620516 RJLGAWDAODOUBZ-UHFFFAOYSA-N 432.301 2.338 30 10 IEEE COc1cc(OC)cc(C(=O)/N=C(/NCCN2CCOCC2)Nc2ccc(F)cc2)c1 46134897 QYTYLCHUZHLJKZ-UHFFFAOYSA-N 430.480 2.373 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)cc1 109371213 JCASISDAOGNTOA-UHFFFAOYSA-N 433.961 2.456 30 10 IEEE COc1cc(/C=C2\NC(=O)/C(=N/S(=O)(=O)c3ccc(NC(C)=O)cc3)S2)ccc1O 138045002 FIGVYSWDFPXCSS-PDHVABIUSA-N 447.494 2.308 30 10 IEEE CCOc1cc(/C=N/Nc2nnc(-c3ccc(OC)cc3)c(=O)[nH]2)cc([N+](=O)[O-])c1O 169899051 RDZGZPRPDVASCQ-KEBDBYFISA-N 426.389 2.299 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2CCN(c3ccc(Cl)cc3)C2=O)C1 238845026 IDFYSKWVYDQSTE-QGZVFWFLSA-N 440.891 2.314 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCc3ccccn3)nnc12 435712265 ZKOPBLIVKCSUTC-UHFFFAOYSA-N 434.525 2.466 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C(=O)OC 435952398 ZEZOKWLRQJAVBN-SJORKVTESA-N 431.316 2.227 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3O)CCCC4)CC2)cc1 436938195 IFDPWAQXIGSFBX-UHFFFAOYSA-N 425.510 2.289 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)[C@@H](C)C1 440572178 QQYSSFBXIOMSCM-KRWDZBQOSA-N 434.496 2.463 30 10 IEEE Cc1ccc(I)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 504647642 PFMFPFBPIOADRU-UHFFFAOYSA-N 427.286 2.288 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 505668263 FREPQTDFLOKDJH-UXHICEINSA-N 434.521 2.385 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 508838803 AFDMCSIKIZWFKW-MWTRTKDXSA-N 436.516 2.152 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 508998235 MESQFLRTSYULKE-ZBFHGGJFSA-N 432.912 2.456 30 10 IEEE Cc1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1S(=O)(=O)N1CCOCC1 555528440 FXCBYMWTUDUVBL-UHFFFAOYSA-N 435.452 2.096 30 10 IEEE N#Cc1cccnc1OC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 585246122 NLNYAUWZKSLVCV-UHFFFAOYSA-N 426.498 2.031 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cc1C 589766169 PUGJCPWPHXSTIW-UHFFFAOYSA-N 449.507 2.137 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(F)c1 609253896 OUOFHSRHVLORLT-UHFFFAOYSA-N 438.431 2.192 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)cc1Cl 727417277 GYVGDJQCGDBVPP-UHFFFAOYSA-N 443.912 2.182 30 10 IEEE COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCCCCC1 732649912 CRYUKALACXWPJA-LJQANCHMSA-N 446.573 2.072 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2sccc2S(=O)(=O)N(C)C)CC1 745000368 DMUIKTPSSRDFFL-SHYRYGCCSA-N 441.575 2.475 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)s1 748063830 YUSYZXFPHPTMPI-UHFFFAOYSA-N 432.530 2.408 30 10 IEEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cnc(-c3ccncc3)s2)cc1 753140488 BUBGBQVWZCSJPK-UTCJRWHESA-N 429.479 2.464 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)cc2Br)c1=O 758066865 LAOVDPAWDXVSHD-UHFFFAOYSA-N 441.350 2.486 30 10 IEEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)[n+]1cccc(O)c1Cl 759054013 GAPNOLQMRXYRKR-LLVKDONJSA-O 430.893 2.487 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cnc1Cl 760377181 GVBLHVRFTFALGK-HNNXBMFYSA-N 431.945 2.174 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 761564035 KIFKGZYBYZUMDZ-VHEBQXMUSA-N 444.538 2.164 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 777357176 SFVPHTLQGJQPAA-NVXWUHKLSA-N 437.443 2.458 30 10 IEEE C=C(COC(=O)c1cc(I)ccc1N1CCOCC1)C(=O)OCC 778482764 JGCCAULFUNRNMZ-UHFFFAOYSA-N 445.253 2.404 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)CC1 779315245 RFCJRSODNRNBKS-UHFFFAOYSA-N 446.573 2.480 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 788818417 LXMLDAUGODFNID-FQEVSTJZSA-N 440.519 2.112 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2cccnc2F)C1=O 794441437 ROEWLCMMPQJHTL-MRXNPFEDSA-N 429.477 2.447 30 10 IEEE CC(=NNC(=S)Nc1ccccn1)c1ccc(Br)c(S(N)(=O)=O)c1 797401786 PBRUONHHOKPXLT-UHFFFAOYSA-N 428.337 2.202 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 800167630 OXTPCQZLHBBGCW-WMZOPIPTSA-N 437.566 2.402 30 10 IEEE CC(C)(C)C[C@H](O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 805733185 HPUIRXLIJREQJE-OAHLLOKOSA-N 444.488 2.185 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCc1ccccc1C#N 808655552 QJVAUNSMNVMGNM-UHFFFAOYSA-N 443.525 2.250 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812309762 DQYULEJHFWOWIL-QZTJIDSGSA-N 440.525 2.497 30 10 IEEE Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 916711116 KAEOYJVBQVZLBP-LYBHJNIJSA-N 432.550 2.214 30 10 IEEE N#Cc1ccc2nc(NC(=O)Cn3nc(Br)c(Br)n3)[nH]c2c1 1149884700 SIOIXBVQGFZDPJ-UHFFFAOYSA-N 425.044 2.190 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)s1 1151920299 HQUMXYNKURNZQZ-OKILXGFUSA-N 443.591 2.174 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)CC2=O)cc1Cl 1153511602 GGYJHEFTDCCLJB-FUHIMQAGSA-N 427.888 2.165 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)C(=O)OC 1155780038 XWQXBSXEUVAYQT-AEFFLSMTSA-N 434.489 2.218 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1158369010 VKSQRGZOZMJYKQ-CTBAPTLKSA-N 441.438 2.176 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2ncsc2C1 1162805277 CHARTLSHDYLQCV-BBRMVZONSA-N 432.571 2.270 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](c1ccc(Br)cc1)c1nccn1C 1192764169 FEROMEMHXDJXRB-IUODEOHRSA-N 426.340 2.198 30 10 IEEE CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1nnc2n1CCC[C@H]2C(F)(F)F 1197785575 HELBBLXOPGVCLL-OAHLLOKOSA-N 427.452 2.495 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O 1270494114 VOBYVYQWRYTRKZ-OALUTQOASA-N 426.517 2.208 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCCN1CCOCC1 1286358740 KOYJZKPBCDYXKG-UHFFFAOYSA-N 444.967 2.043 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1286381295 FXQIRCFMNQEWFE-HXUWFJFHSA-N 441.557 2.260 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286388402 OPXDPUFYHLKCPK-IBGZPJMESA-N 428.558 2.267 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286508552 IGLXUYZRJNOZIC-KURKYZTESA-N 447.605 2.452 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286701039 QNJMABDNTJQADZ-CQSZACIVSA-N 428.518 2.183 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cnn(C)c1C 1286791762 BTOUKKFGQKRJHR-UHFFFAOYSA-N 437.548 2.454 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C)c(C)s2)C1 1286812784 OQGPJNGZXUOXSH-QGZVFWFLSA-N 430.578 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](C)c1nccs1 1286820439 LPCJQOSEVXGILZ-HOTGVXAUSA-N 439.607 2.469 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286834662 JVVHRLCCJJNFHF-QZTJIDSGSA-N 429.594 2.306 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCOC1 1288283649 FEJKBFRZLIILHH-AUSIDOKSSA-N 438.532 2.105 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cs1 1290454156 FMSXCLAKSADXFR-UHFFFAOYSA-N 428.543 2.059 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1291826148 FSLXUKFQJMTUJO-YJBOKZPZSA-N 430.484 2.030 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1299552705 KJNHNVDXTYWIST-MRXNPFEDSA-N 448.487 2.481 30 10 IEEE COc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)N(C)C)cc1 1300047698 IXUJHZXTOFZXCQ-HNNXBMFYSA-N 433.516 2.439 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300485841 ZJSHYWNQJOIKDL-VQTJNVASSA-N 442.585 2.362 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1300512207 ONLNCVZOBRFTOR-TZYAJKAJSA-N 426.561 2.333 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](OC)C(F)(F)F 1300559508 RGAVJOVKMIMEEY-APWZRJJASA-N 428.455 2.361 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2csc(C)n2)CC1 1300703742 RPWYJELFCFHAPB-UHFFFAOYSA-N 427.603 2.397 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)CC)CC1 1300717047 WWECMVFQXQOBEW-HSZRJFAPSA-N 431.581 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(COC)CCC2)CC1 1300727348 XZBPHLPOKHLLGG-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1300979923 ADQBDIYHSOOQHW-LJQANCHMSA-N 441.532 2.414 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)OC 1301028937 CCVBUTXJWDGJOH-SBHAEUEKSA-N 441.532 2.253 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301155715 SIOBMNMCVNKTQS-MOPGFXCFSA-N 430.597 2.160 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1301295210 VZADVXXYJNVJHS-HZPDHXFCSA-N 441.598 2.305 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2cc(C)nc21 1301412665 HKVAGIGKDBGNBG-SFHVURJKSA-N 427.553 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301491359 HMOWRFBSDAKDOU-IRXDYDNUSA-N 428.924 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(Nc2cccnn2)CC1 1301492088 XGCIGUZFMMMFHP-UHFFFAOYSA-N 432.532 2.427 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCCCC3)n2CC2(C(N)=O)CCOCC2)cc1 1302993658 FVTBCQIIDWXOKL-UHFFFAOYSA-N 438.532 2.391 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)c1cccc(Cl)c1 1303886660 DWWRCJMSXVSHSQ-YSSFQJQWSA-N 432.887 2.232 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1314820124 XDGCYLUJCYTIIH-UHFFFAOYSA-N 427.505 2.089 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1315917996 NCXAQMXQEWCWBR-UYAOXDASSA-N 427.505 2.007 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCNC(=O)C(C)C 1316274984 OGGCFKWMOOHTIJ-PMACEKPBSA-N 440.548 2.282 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC(=O)N1 1359020667 MABVJUAVMKUHEJ-MRXNPFEDSA-N 446.349 2.381 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359123557 UYZPARCOYYUETJ-HXUWFJFHSA-N 438.532 2.242 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359136331 GQTYILUNDXHBDM-PXNSSMCTSA-N 441.532 2.173 30 10 IEEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1359139884 HLOXSHDDGHERFC-UHFFFAOYSA-N 449.559 2.148 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359143177 VSHKBFKYTLVDKD-LBPRGKRZSA-N 440.913 2.112 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCSCC1 1359238834 XQRMIFAUTDYSQB-UHFFFAOYSA-N 439.589 2.346 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1359299315 BNPAZQLDSWSZNB-VQIMIIECSA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359301109 RRYORVJROBXBOQ-FQEVSTJZSA-N 440.592 2.025 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncccc2N(C)C)CCOC1 1360339775 XIGNUVRBWMXSKM-FGZHOGPDSA-N 443.527 2.270 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1360340460 CSRJQMOVRPOYPN-FGZHOGPDSA-N 432.569 2.221 30 10 IEEE COc1cc(CN2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc(OC)c1OC 1361287321 JHUOMIHZNVZDKL-UHFFFAOYSA-N 427.505 2.089 30 10 IEEE COc1cc(C#N)ccc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1459819291 DTJVTPCVMJSZCQ-GOSISDBHSA-N 425.460 2.153 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2sc(S(N)(=O)=O)cc2C1 1460475306 XIPVMIGTUBZMND-ZDUSSCGKSA-N 425.601 2.418 30 10 IEEE CCCN(C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1snc(C)c1C#N 1462906741 QSFOMFZGBMYBHD-UHFFFAOYSA-N 449.558 2.345 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1468558504 UJAAMQMSFNYMOH-KABRZNFWSA-N 448.519 2.261 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)cc1 1469477386 LPASITDQFDEAGE-UHFFFAOYSA-N 427.935 2.191 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3CCN(CC(F)F)C3)c(C#N)c2N)cc1 1470560337 ZNZXLDMQDWZLPL-HNNXBMFYSA-N 431.491 2.206 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CCO1 1473683754 WUFGWGXAZJFPIS-JPYJTQIMSA-N 431.533 2.381 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)cc1F 1475390996 DSDBPGFELIWBOC-UHFFFAOYSA-N 430.230 2.176 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H](C(F)F)N1CCOCC1 1494572132 XOOLNQNIYFYQPF-QFBILLFUSA-N 446.502 2.398 30 10 IEEE CCOc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1502880551 DCANSLHPJYGHQV-KKSFZXQISA-N 446.577 2.465 30 10 IEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1503363529 BIKIFHQBLBLXGQ-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1503388609 ZQNQWDWWKBVINF-BMGDILEWSA-N 432.475 2.439 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1505317572 ICKQCBROIZIGEP-HXUWFJFHSA-N 442.886 2.117 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507558737 SVAPTIQGLMZFDJ-GOSISDBHSA-N 443.573 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(CC)CC)nc1 1507653558 RNPOHMBRULGTRD-UHFFFAOYSA-N 445.527 2.368 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C(C)C)C(C)C)CC1 1507738835 FSHUQRXFZZUBMP-NRFANRHFSA-N 444.624 2.257 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1 1507778715 SZHJAGNZJAAYJT-UHFFFAOYSA-N 435.282 2.430 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CC)C1 1507843967 ZQDJZZKTRREDHZ-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1)C1CC1 1507995193 GCQSNUIJXHOLGJ-DMPWYTOCSA-N 433.553 2.355 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C)c(C)s2)C1 1508126754 SFZSLRGPPMAYNP-HOTGVXAUSA-N 437.591 2.083 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCC(C)(C#N)CC2)CC1 1508279020 NWMIEHHXDYLNMQ-UHFFFAOYSA-N 441.605 2.225 30 10 IEEE COCCN(C)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519121116 MSMVGDSWLFJIKZ-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539230207 DBELUNYJHYKYJY-RBUKOAKNSA-N 446.573 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1Cc1ccccc1 1539408771 CCPJOABEAIRHQQ-NRFANRHFSA-N 431.544 2.486 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1539874749 JFQZHHVTBXTZAA-XMMPIXPASA-N 446.640 2.359 30 10 IEEE Cc1c(O)nc2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728297 BTKOFVBOKVIBMN-UHFFFAOYSA-N 436.493 2.267 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1541726016 RZPWBUCRTHUDML-FDDCHVKYSA-N 444.580 2.363 30 10 IEEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)cs1 1542895747 VBYROIPRYJUPTD-INIZCTEOSA-N 431.610 2.465 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543348589 OJPKZRDLRCXMOD-MLSMBGFSSA-N 442.907 2.344 30 10 IEEE CCn1c(S)nnc1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1543513494 SSAFIWKZXHCSDJ-DMAKZNTKSA-N 434.566 2.032 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)CCOC1 1547917887 CDIZDNQWXLISSW-JPAWQOSXSA-N 433.553 2.110 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1(C)C 1555171602 KCLDGNRTOGWYSA-HNNXBMFYSA-N 436.438 2.356 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(=O)N(C)C 1555736102 RFMVJNRGMDCUKG-RXVVDRJESA-N 438.532 2.131 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C 1557356081 DXRBQCGYCLEXBM-DOTOQJQBSA-N 435.546 2.338 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)C#Cc4ccccc4)C3)[C@@H]2C1 1558065628 HEVAGCAUSXQNPY-QRVBRYPASA-N 425.485 2.079 30 10 IEEE C#CCN(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 1562852438 GDGMOEONPBOWLN-HNNXBMFYSA-N 437.319 2.289 30 10 IEEE C[C@@H](CC(=O)N1CCC(F)(c2ccccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1568767655 AZJIPAWHXDDPJG-HNNXBMFYSA-N 430.505 2.386 30 10 IEEE COc1ccc([C@@H]2CCN(C(=O)CSCC#N)C[C@@H]2NC(=O)C(F)(F)F)cc1F 1583839518 ZRCRCBPGCVRLSN-JSGCOSHPSA-N 433.427 2.454 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cnnn1 1587579821 KHYQILLGPUOJOV-GFCCVEGCSA-N 433.289 2.381 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)Br 1587932601 WOOLQYGFDKXCCE-UHFFFAOYSA-N 438.351 2.173 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1587974983 INHBYCQCJBXIOQ-KRWDZBQOSA-N 449.559 2.439 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1588266660 UAIVSRRMOPSGNS-OWCLPIDISA-N 431.562 2.281 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCOCC1 1588613040 QSQVIFAGAKMPHC-QFIPXVFZSA-N 436.560 2.260 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1588871977 UEMMEJYFBIBJHQ-WOJBJXKFSA-N 439.560 2.294 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)C(C)C 1595171853 ZXIZCNJUIQMBHN-MXEMCNAFSA-N 442.608 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595506631 HQZDFFSKRPEBLI-DLBZAZTESA-N 446.914 2.287 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1596752450 UMOKMQYUROETTG-HXUWFJFHSA-N 426.521 2.116 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1598304989 ZZJOXWDIVYFADL-GFCCVEGCSA-N 441.435 2.090 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CC2CCS(=O)(=O)CC2)C1 1611768900 FYNLDBHVBFGPQF-NRFANRHFSA-N 428.562 2.219 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)O1 1613688486 OLXOWIIYBKPENA-YHBROIRLSA-N 433.553 2.395 30 10 IEEE COc1ccc(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1Br 1613804102 DUXWHOBPKPIJPD-UHFFFAOYSA-N 446.301 2.206 30 10 IEEE CCc1nnc(N2CCN(c3cccc(C)c3C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1614023757 JUUPCDHUEVLVJN-FCQUAONHSA-N 449.559 2.310 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c(I)c1 1616826930 LTEUJSLKRWFMGE-LLVKDONJSA-N 430.267 2.316 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCOC1 1617779606 BPCDQUWHUUJWRS-NOVUIFNWSA-N 429.546 2.255 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1 1618251917 HEGDXYKEQXNHDJ-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2ccccc21 1619912623 HVVLQFSNGWPWHL-MOPGFXCFSA-N 443.573 2.277 30 10 IEEE CC(C)(NCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(C#N)c1 1620413586 BENQNJSIEHGGCT-UHFFFAOYSA-N 440.569 2.057 30 10 IEEE C#CCN(CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C(C)(C)C 1620594968 HWMOLPZEKZGUCD-UHFFFAOYSA-N 439.560 2.302 30 10 IEEE C=CC1(CC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)CN(C(=O)OC(C)(C)C)C1 1625640444 BSIVJMVEHQPKSM-UHFFFAOYSA-N 440.504 2.135 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C1=O 1626599211 ZXMHIQJXEZINSL-JARZOMNASA-N 425.507 2.399 30 10 IEEE COc1cccc(/C=C(\C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)n2nnnc2C)c1 1626962192 AYFMRBGQLSIDFM-MUIAGPEESA-N 430.468 2.460 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)nnc1-c1ccco1 1629725623 CBJRGAAUDYICDM-OAHLLOKOSA-N 432.550 2.469 30 10 IEEE C#CC1(F)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1633365595 JVHCGDTYPLIUTP-NSHDSACASA-N 435.340 2.095 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1639294669 GHIRWXYNAFBIJP-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1640509024 HHXORFJRBRYRCE-UHFFFAOYSA-N 446.960 2.271 30 10 IEEE N#CCc1cccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 1644420120 INYQZZNCLMEGBT-UHFFFAOYSA-N 430.486 2.006 30 10 IEEE C#CCn1ccc(CN(CCOC)Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)n1 1659065830 CXGNAIWGTUPYBS-UHFFFAOYSA-N 429.521 2.487 30 10 IEEE C=CCN(C)CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1664348537 DVMKZPOQEXSFTO-UHFFFAOYSA-N 443.635 2.380 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)C1 1665457082 GEDDKVATCBCRNW-OAHLLOKOSA-N 429.336 2.002 30 10 IEEE C=CCn1cc(CNC(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)nn1 1671060307 LJXNWMYNJQUWSM-QGZVFWFLSA-N 436.438 2.473 30 10 IEEE CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H]1Cc1ccccc1 1681226244 DFWMUDMFPGYDBM-HSALFYBXSA-N 427.549 2.314 30 10 IEEE C#C[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1682357163 ULDOSKXJMBOOFE-ZWKOTPCHSA-N 435.546 2.084 30 10 IEEE N#Cc1c(CCCNC(=O)NC[C@H]2CCC3(CCOCC3)O2)nn(-c2ccccc2)c1N 1684445031 PKCDESZGTPPQRL-GOSISDBHSA-N 438.532 2.286 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)NCCn2cnc(C#N)n2)c2ccccc21 1686408483 ZHMZJSJERJZIDS-HNNXBMFYSA-N 425.493 2.378 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)C1 1687592990 FQHKZWUIOYVYDQ-YJBOKZPZSA-N 426.330 2.136 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1689901953 SINHVQZDHJHBCY-DLBZAZTESA-N 431.562 2.313 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1689908185 YXGRJESQQCJUID-UHFFFAOYSA-N 428.512 2.304 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1689930173 LYJNHHRTCDPLNZ-RTWAWAEBSA-N 441.601 2.304 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1689949564 IWNYSQQVFXMQBU-UHFFFAOYSA-N 439.560 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C1CCCCC1 1690047529 SRTNXAXBTXDQGZ-HXUWFJFHSA-N 445.633 2.298 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1nccc(C(F)(F)F)n1 1690102326 IHWXTSKANCOGGR-HNNXBMFYSA-N 438.454 2.310 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1690507128 DSNCNEFYABRPAO-PMACEKPBSA-N 425.533 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCSC2)C1 1690700604 VHPSNMIXVJCSGT-IXDOHACOSA-N 426.608 2.105 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CCC(C)(C)C)CC1 1690722417 IOWFZISELFLHFF-UHFFFAOYSA-N 448.637 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OC)C1 1690725465 QYBYWDXBRADSHP-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1690749198 VGBMEPVJLBIECI-UHFFFAOYSA-N 427.578 2.177 30 10 IEEE CC(C)(C)c1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)s1 1691051423 DXFRWXSWTVSMNK-CQSZACIVSA-N 449.606 2.117 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1691359045 DIPITJCWXXKEQE-VQTJNVASSA-N 441.532 2.274 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN(C)C(C)C 1694790253 CJPDJADIYWXKEY-HXUWFJFHSA-N 439.564 2.174 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1697703540 LLPPSGOGPLHJBL-MOPGFXCFSA-N 439.564 2.220 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccnc1-n1cccn1 1698231258 WFJYCQMQEBJHJG-WDSOQIARSA-N 436.520 2.227 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CSCCS1 1698245165 ARFKRLNGHUDVJA-XSWJXKHESA-N 427.571 2.293 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705534413 HQACJOXWXCOOQO-QYZOEREBSA-N 435.594 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)N1CCCC1 1705593158 HWBOBTATRLETKG-OAQYLSRUSA-N 443.559 2.258 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](OCC)C2CCCC2)CC1 1705632176 WXWVEXJQUDNJRY-NRFANRHFSA-N 442.608 2.255 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705643591 LQZWIRQOFRNDGV-ZWKOTPCHSA-N 432.569 2.188 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)CC)CC1 1705652902 RGQCTAUHOLQJPV-KHCICDEESA-N 445.608 2.324 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705685483 AYKXFKKTYXPFGZ-HZSPNIEDSA-N 426.315 2.363 30 10 IEEE C=CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1705857906 DIPVPQLSCWVMET-UHFFFAOYSA-N 438.576 2.484 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705894311 UYLAHMRKKSLEIX-CABCVRRESA-N 427.571 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1C(C)C 1705939360 WLCXQHDJWVNEGB-KSZLIROESA-N 426.583 2.228 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2([S@@](C)=O)CC2)CCOC1 1706669836 VOSGXYFSEFVRCQ-IIMAJNMQSA-N 435.594 2.360 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1708342273 CUULDNFDOIYBOW-WAIKUNEKSA-N 440.548 2.085 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCC[C@H]1CO 1722342943 DLMBQIURTBAAOH-KRWDZBQOSA-N 449.397 2.352 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCc1cc(OC)ccc1OC 1722371588 YDXLVRCALSBNNB-UHFFFAOYSA-N 435.528 2.237 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(S(C)(=O)=O)cc1 1722413142 WAEXUUNHCLSXEM-UHFFFAOYSA-N 448.552 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccccc1Cl 1722425058 KNOYHDDYHUNZST-OAQYLSRUSA-N 428.924 2.326 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2=CCCOC2)n1 1722429950 VOOCWYDJUVYQQX-FQEVSTJZSA-N 440.548 2.002 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722453066 VUZWLEKLVWSQLP-UHFFFAOYSA-N 447.008 2.175 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722488755 CUIPEQNUTSSRRG-IYBDPMFKSA-N 432.278 2.199 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CCO1 1724034592 AGGKFYNFRNAPJD-UHFFFAOYSA-N 429.546 2.399 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)OC(C)(C)C 1727607586 NCCJSTBVLNZRNM-UHFFFAOYSA-N 440.552 2.349 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1730487952 KKMQDWXJVDLMHJ-CVEARBPZSA-N 432.475 2.104 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(SC)c1 1730758958 FXDDJUWDFSSODB-UHFFFAOYSA-N 429.550 2.046 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1730901686 VMFQVAWXLIEUDM-HXUWFJFHSA-N 433.516 2.400 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(C)=O 1740553021 YQLRAVZIKMVUOT-MRXNPFEDSA-N 435.532 2.049 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740740323 BFFROMGKCPXTRL-UHFFFAOYSA-N 444.355 2.227 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740786388 BLDTVTIBDGUJGO-LPHOPBHVSA-N 443.508 2.208 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(ccnc2O)C1 1740799716 TXPPTBZPOVSWQZ-HKUYNNGSSA-N 429.521 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2sccc2C1 1740992960 PWMWFFMREKPUQA-UHFFFAOYSA-N 429.571 2.489 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCO[C@H](C)C1 1740998160 ICHSOWIDNWVAQD-MRXNPFEDSA-N 426.550 2.455 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1741084632 AZHJLBHCVGZLPM-WJOKGBTCSA-N 440.573 2.223 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741988311 NQTUAWSPRQGKRG-QTIQAUKSSA-N 439.520 2.176 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(C)(C)O)c2)n1 1742712553 FNVZUXNDYGIBIE-HXUWFJFHSA-N 435.532 2.144 30 10 IEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)n1 1742723681 CRBMGVRSRDOULV-OAQYLSRUSA-N 446.515 2.361 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1CCCO 1743678630 NAECGOYZAJGMMC-QFBILLFUSA-N 439.564 2.173 30 10 IEEE CCN1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1746419367 FUXDTLYLIDEYBV-OALUTQOASA-N 434.610 2.185 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@]2(OC)CCOC2)c1 1748692216 SXNCTZPCSKBMQX-XMMPIXPASA-N 446.511 2.202 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(O)CCS(=O)(=O)CC1 1748775515 MUKILQCIUUKSNU-OAHLLOKOSA-N 448.614 2.141 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCC)c(OC)c2)CC1 1748993591 DMBSNZKUXAWKLR-UHFFFAOYSA-N 446.555 2.475 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1C(C)(C)C 1749139951 KBJCPWQDPVUZOF-QYZOEREBSA-N 431.581 2.384 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@H]2C1)c1ccccc1 1749242465 JJQWEXONQBEBID-HKUYNNGSSA-N 427.505 2.356 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1749268484 BHNUYGCYPPRUIJ-QGZVFWFLSA-N 438.985 2.354 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1749276095 DBRXYZGCGNATTI-UHFFFAOYSA-N 438.985 2.365 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749677375 XLFBNISDWZLQRQ-LJQANCHMSA-N 428.581 2.056 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2CCn2cc(Br)cn2)C1 1749719648 YQWCMFCNDOKYRA-OAHLLOKOSA-N 425.331 2.255 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1750176255 TWNWDAPHHAKHHW-UXHICEINSA-N 427.505 2.149 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1760179231 BVGWGOXKZWKIJC-MOPGFXCFSA-N 446.596 2.388 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1760187458 VZFZZKFSKRYVIG-QGZVFWFLSA-N 446.573 2.256 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1760235529 PPXYLNMXSWRANI-JTSKRJEESA-N 435.569 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(CCOC)no1 1760335885 RWUCLROFRADOMX-KXBFYZLASA-N 427.509 2.463 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1760380451 CCIZEISYRDYPBX-UYAOXDASSA-N 447.967 2.444 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NCc2ccccc2)C1 1760544686 FKBNXEANKYNMPE-HXUWFJFHSA-N 435.532 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCCO)CC1 1760555691 KSWKFBOBJBFSNJ-SFHVURJKSA-N 426.583 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@@](F)(C#N)C1 1760558589 UFNHHHAQEHZKTG-OAQYLSRUSA-N 447.536 2.462 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760564498 AQPIJOLFLAKXMQ-GOSISDBHSA-N 446.621 2.377 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCCO)C1 1760793421 BDZXCCIHKPRMAS-FGTMMUONSA-N 448.568 2.330 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(N(C)C)CCSC1 1761020218 ATNGOIGSVZEJFN-QFIPXVFZSA-N 441.605 2.449 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1764130545 DOUWOTAGIHQKIG-FQEVSTJZSA-N 438.532 2.356 30 10 IEEE CCCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765899346 FVKROYIHMNRMFT-UHFFFAOYSA-N 437.552 2.330 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1768171682 GWPZOTZFUBEPSZ-HSZRJFAPSA-N 426.565 2.382 30 10 IEEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)c1 1769689653 NFROVCRUUFSFCG-INIZCTEOSA-N 426.521 2.479 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)OCCCN2CC3(COC3)C2)[C@@H]1c1ccc(C#N)cc1 1848993821 NVZOQYTVYUTXHD-LEWJYISDSA-N 443.569 2.217 30 10 IEEE Cc1nc(N(C)C)cc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)n1 1852736816 CNEZAZXNDBMSNW-UHFFFAOYSA-N 439.589 2.424 30 10 IEEE CC(C)(C)c1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cn1 1854438609 XOPNARLRHUNIRX-UHFFFAOYSA-N 432.546 2.220 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1c(F)cccc1F 1854622985 PJAVBQJTGMHGMD-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636160 CGEQWOKHKFUQOY-OAHLLOKOSA-N 429.473 2.078 30 10 IEEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1855161120 DESMMOBRFJVXRT-ZWKOTPCHSA-N 430.574 2.396 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CCc4ccccc43)C2)CC1 1857017749 CAXVKSSDAZJEDK-OALUTQOASA-N 429.542 2.047 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1862169442 UYEQELYMURBEQI-WOJBJXKFSA-N 429.586 2.474 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862600651 OMZOFRYLRAJVOC-VOJFVSQTSA-N 429.425 2.074 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862704424 ZLWOQGYOSOFIKF-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCCC[C@@H]1CCO 1868784954 ZUAWFWHPNORCCK-QXAKKESOSA-N 432.590 2.293 30 10 IEEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868794730 FQUSXETZCFNTQJ-MOPGFXCFSA-N 431.606 2.084 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868796600 WFXCYUHLNOCUJS-WDSOQIARSA-N 432.590 2.150 30 10 IEEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCC(N(C)C)CC1 1870494543 KEZYHMDGZBJTPN-UHFFFAOYSA-N 430.593 2.198 30 10 IEEE CCOC(=O)c1sc(C2=C(N)N(C[C@H](c3ccc(O)cc3)N(C)C)CC2=O)nc1C 1872796072 KVMCSSPENABDLF-OAHLLOKOSA-N 430.530 2.149 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874341610 OCPAJMQXOZYEJD-FPQGOQEYSA-N 431.518 2.057 30 10 IEEE N#Cc1cccnc1OC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1891422450 HDTHBWPNZKCRLN-KRWDZBQOSA-N 448.479 2.147 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)cc1 1892034817 KPQVFIVCEAQBFS-UHFFFAOYSA-N 429.502 2.421 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CO1 1908272630 STLUSNANXYWHRI-ZCNNSNEGSA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCOC1 1964763747 MILOYCAPNGBCRX-AABGKKOBSA-N 428.533 2.153 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060625625 MPZIWBVRPLATER-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633980 UGUFPLIRORDWEC-QGZVFWFLSA-N 434.342 2.488 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2cc(Br)cc(F)c2C#N)C1 2118208672 XPQZRSQIVLTBKZ-UHFFFAOYSA-N 427.274 2.371 30 10 IEEE C=CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(Br)c1=O 2122555431 WSYXDNQCBABQAT-OLZOCXBDSA-N 429.315 2.238 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128729955 HCHYBGDGGZMFIR-QZTJIDSGSA-N 446.353 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247922327 GIEPQHRVLTVPGL-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE C[C@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255697929 MAPKSLIVFRITKD-AWEZNQCLSA-N 431.342 2.366 30 10 IEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1CN(C(=O)OC(C)(C)C)C1 2255817186 QTRHQXSISLVSKO-UHFFFAOYSA-N 435.305 2.211 30 10 IEEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256020328 BKMVHBBRWHLONP-QZTJIDSGSA-N 433.358 2.154 30 10 IEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC(=O)NCc1ccccc1 2258099020 DXQIGFIWPBETOA-UHFFFAOYSA-N 426.297 2.480 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(CNC(=O)OC(C)(C)C)C1 2267154781 ZQTAHFTWQUZGDJ-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)C2 2267500957 QTNUARUEJOSWCT-UHFFFAOYSA-N 447.345 2.271 30 10 IEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2267514862 GBMIRJFTVRPUGE-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1 2267529596 NDUGYENJOLHICM-LJQANCHMSA-N 438.381 2.422 30 10 IEEE CO[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2268723010 MJHKYGYXGOVMAX-QGZVFWFLSA-N 447.341 2.201 30 10 IEEE C[C@H]1CC[C@@H](C2OCCO2)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861563 PMTSMWTWMNEKGR-KBPBESRZSA-N 443.396 2.209 30 10 IEEE C=CCn1cc(C(=O)NCCOC)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 9731284 UPJSWFZUIALIAB-UHFFFAOYSA-N 447.557 2.128 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)c(C)c1 21324929 KPHQCGZRWRSBMD-YDZHTSKRSA-N 426.506 2.271 30 10 IEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)c1ccc2c(c1)OCO2 254410682 XMYMFOZSIAVORK-QAPCUYQASA-N 430.507 2.326 30 10 IEEE COCc1cc(C)nc(NN=Cc2c(O)nc(O)n(-c3ccc(C)c(C)c3)c2=O)c1C#N 254593601 NPSFBQVIOSSRGM-UHFFFAOYSA-N 434.456 2.428 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCc2cc(Cl)ccc2Br)CC1 430774060 BFCZJPHNZYUCTR-UHFFFAOYSA-N 428.758 2.482 30 10 IEEE Cn1ncc2c(N3CCN(C(=O)CN[C@H](CCCC#N)c4ccccc4)CC3)ncnc21 433026703 HGHXNSOBZYXPDF-HXUWFJFHSA-N 432.532 2.037 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccccc3O)C2=O)cc1 436626836 LQFROYVXFPWIFY-VQTJNVASSA-N 432.480 2.180 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 466101704 ISLNGYBPOHXLPA-UHFFFAOYSA-N 425.464 2.042 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(C[C@H]3CCCO3)c2=O)n1 477444205 OSTJWRFTTDWMLU-NVXWUHKLSA-N 441.553 2.001 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccn2)c1=O 478754631 PXSQXBSIVCNKDX-KRWDZBQOSA-N 431.517 2.101 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(C)C)c2=O)n1 479375115 YLOHCLPYBXIJLH-UHFFFAOYSA-N 449.532 2.364 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CCOc4cccc(OC)c4)CC3)cc2C1=O 482061931 BEYJOWCBGSIOMU-UHFFFAOYSA-N 449.507 2.314 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 482205080 DTLAIMMWHULMSG-HNNXBMFYSA-N 431.489 2.434 30 10 IEEE Cc1onc(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1C#N 499619271 OIWPPEFFTGCJAP-UHFFFAOYSA-N 435.406 2.199 30 10 IEEE N#Cc1ccc(OC2CCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 507845505 BGZOXMYPSZUKBP-UHFFFAOYSA-N 428.439 2.435 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 508812475 WMBXKHZNHXWBEZ-QGZVFWFLSA-N 431.562 2.276 30 10 IEEE COC(=O)c1cccc(Cn2ncc(Br)c(Br)c2=O)c1C#N 535922360 KYASLMJRMYEIOB-UHFFFAOYSA-N 427.052 2.475 30 10 IEEE COc1cccc([C@@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C2CC2)c1 537356964 MSGZNIOGHFFNBK-FYYLOGMGSA-N 445.523 2.363 30 10 IEEE N#Cc1c(Cl)cccc1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 542102568 IMIPOQLXMFPEHE-KBPBESRZSA-N 428.963 2.498 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)CC1 577394317 LXYKZRDDRXZJNZ-UHFFFAOYSA-N 432.402 2.422 30 10 IEEE COC(=O)c1ccc([C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C(F)(F)F)cc1 582204431 VUJNXHGGPUUMJK-INIZCTEOSA-N 427.404 2.407 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c(F)c1 585716000 YSPTUUVWSLWKRA-FQEVSTJZSA-N 444.894 2.157 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](Cc1nccn1C)c1ccccc1 610698180 NJRBCANJEXZTQD-IEBWSBKVSA-N 430.516 2.286 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C(C)(C)C)cn1 619476906 BVYAKGTXHRMPHY-UGKGYDQZSA-N 449.559 2.160 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCCO2)c1=O 679754960 HRLSZWPLEZYUCM-SFHVURJKSA-N 438.549 2.360 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 679755134 LKOQQWJSWDWVOS-OAHLLOKOSA-N 439.562 2.284 30 10 IEEE NC(=NOCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCOCC2)cc1 725793100 WCGAQDOJHBUAJZ-UHFFFAOYSA-N 426.561 2.241 30 10 IEEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730137715 HPZSVYLDZNWHSI-MRXNPFEDSA-N 426.970 2.376 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N(C)C2CCCCC2)CC1 739849355 AFUCQSRUORIXMJ-UHFFFAOYSA-N 435.576 2.491 30 10 IEEE CC(C)N1C(=O)CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1(C)C 743107661 AIFQANNRGSVYCS-NKFKGCMQSA-N 449.577 2.363 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccon2)C1=O 747449012 QLNINVSFGMQVCX-GOSISDBHSA-N 440.529 2.136 30 10 IEEE Cc1sc(NC(=O)CN(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1C 750037808 CGEVXIPNZINKJI-UHFFFAOYSA-N 449.577 2.186 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H]1C[C@H](C(=O)O)CO1 757501138 DZMZLFZRDSNYFV-IRXDYDNUSA-N 448.475 2.134 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(OC)c(CO)c1 763033841 VZQSYYGSXXOUSJ-QGZVFWFLSA-N 431.514 2.424 30 10 IEEE Cc1cc(N2CC[C@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)ccc1Br 765915943 PFBVIQHIPDUORD-WMZOPIPTSA-N 446.349 2.245 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772277226 NMBKPDUZUDDQRB-UHFFFAOYSA-N 432.480 2.493 30 10 IEEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 775986126 DYNVZJRWGKCADP-NXKOUYSWSA-N 449.577 2.397 30 10 IEEE O=C(O)CCN(Cc1ccccc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776589190 QACQQRLYWMCPJX-UHFFFAOYSA-N 429.498 2.009 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 781649416 OXFZNHPDMVFNRW-HNNXBMFYSA-N 443.594 2.370 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)n1 790106039 NQNBFPCBNVSFRC-UHFFFAOYSA-N 427.524 2.086 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCc2nccs2)C1=O 790748769 QBJJBQKOQRCBJS-AWEZNQCLSA-N 437.616 2.447 30 10 IEEE C=CC[C@@]1(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 792539660 ULGKCPITNYFNPZ-FQEVSTJZSA-N 429.583 2.215 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1C#N 793933008 VPRYSWASMVBEAH-UHFFFAOYSA-N 425.460 2.187 30 10 IEEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 798364850 OTEYTBLYCPWRCI-PKOBYXMFSA-N 448.564 2.492 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](COC(=O)[C@H](C)n2cnc(C#N)n2)c2ccccc2)cc1 798746222 QACJKZQOYOQVCY-LPHOPBHVSA-N 439.497 2.282 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)ccc1F 801474933 ZCSXEVDTFAJTBH-QFIPXVFZSA-N 432.517 2.456 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1CN1Cc2ccc(Br)cc2C1=O 802732313 BZPOSYUHYDVMRK-ZDUSSCGKSA-N 427.306 2.235 30 10 IEEE Cc1cc(C#N)nc(N(C)Cc2cccc(Br)c2OCCS(C)(=O)=O)n1 804643229 GTFLYEUHEWQWSZ-UHFFFAOYSA-N 439.335 2.479 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CCCN1C(=O)C(C)C 917988842 WPBRVLSBDKGASN-SFHVURJKSA-N 432.521 2.142 30 10 IEEE C#Cc1cccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1129841293 CFZWUSTUVFEJBK-HXUWFJFHSA-N 427.482 2.436 30 10 IEEE CCOC(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1136200325 VTRGTUVNYJCKGG-QGZVFWFLSA-N 446.508 2.045 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1136884695 PLZGDZGKHMRVHD-MOPGFXCFSA-N 429.565 2.015 30 10 IEEE CC(C)(C)NC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1138333046 XWHFAKVNQMIVIY-UHFFFAOYSA-N 448.365 2.409 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCCN(c3ccccc3C#N)CC2)CCC1 1190819456 VYNWNLYOHRYOHC-HXUWFJFHSA-N 434.606 2.072 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)nn1 1230271859 LAVZBQFRMRRGDK-LBPRGKRZSA-N 426.290 2.016 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)C1 1233851845 ISOPCOPLQMLSMZ-ZJIFWQFVSA-N 435.525 2.149 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(CN2CCN(c3nccs3)CC2)cs1 1266438979 XDZGGVVFOHQIRJ-INIZCTEOSA-N 434.591 2.331 30 10 IEEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 1267478881 GUNGXWBRTWSCOD-MRXNPFEDSA-N 432.498 2.430 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OCCN(C)C)cc1 1286270712 MYAWQBNFUOQDCJ-LJQANCHMSA-N 438.576 2.155 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286387265 PKYDHZAFNDTSSD-MGPUTAFESA-N 436.965 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286412784 DEVZOTAIBSAILH-DNQXCXABSA-N 447.583 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnn(CCOC)c1 1286423997 QKVYYTSWKHIVHG-UHFFFAOYSA-N 446.511 2.070 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CCN1CCOCC1(C)C 1286453487 TUMNFIPVYRNYSV-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)CC 1286517647 KBMXSHYZGNZLFR-NGOKVRLYSA-N 434.587 2.109 30 10 IEEE Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)C2)n1 1290582190 SLXVUOFWUPDPPD-FQEVSTJZSA-N 447.547 2.345 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1290816835 REAXKHFZMTXSRP-ZDUSSCGKSA-N 427.509 2.377 30 10 IEEE CCc1nnc(N(C)c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1292807716 BQZIIIDVANRWLW-VXPUYCOJSA-N 426.477 2.152 30 10 IEEE N#Cc1cc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)ccc1N1CCC(O)CC1 1294976747 UAFBLEGLNGERLA-UHFFFAOYSA-N 434.496 2.244 30 10 IEEE Cn1c(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nnc1C1CCC1 1295557513 QMHVMFJSTUVIBI-UHFFFAOYSA-N 429.322 2.469 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1299183942 AEAVAEGVPCPEKX-XXBNENTESA-N 438.532 2.117 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCC(=O)N(C)C)c1 1300332234 AFVPBIXSOMBHJK-UHFFFAOYSA-N 447.543 2.208 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300504052 JDIRFTRMQXPEBM-RTBURBONSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCN1CCN(Cc2ccccc2)CC1 1300529158 HGTPSDHNRNEMCP-UHFFFAOYSA-N 439.567 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1300595824 QYPXANVTKPBZHD-GUDVDZBRSA-N 432.590 2.094 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2conc2COC)CC1 1300705672 BUCGRCNLKLMQME-UHFFFAOYSA-N 434.544 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@](C)(O)c2cccs2)CC1 1300723026 OYMNUSYOFQAVTJ-JOCHJYFZSA-N 427.574 2.481 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)[C@H]1CC 1300832102 CZEFUUWGCBODPB-CQSZACIVSA-N 435.282 2.477 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300849647 RUSYIWIIHORMBE-GFCCVEGCSA-N 431.294 2.226 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300963118 OIVRHCNIWORHRL-QGZVFWFLSA-N 442.539 2.361 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1301155798 VTSVMJUJESNENK-UHFFFAOYSA-N 428.562 2.354 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCN(C(C)C)CC2)C1 1301553256 IETFBEWJHYWPNJ-LJQANCHMSA-N 428.581 2.300 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1302026488 GINAVXYVLRZIEI-RVKKMQEKSA-N 448.465 2.328 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1306532404 YDEWNHBTCOASEO-FGZHOGPDSA-N 443.573 2.383 30 10 IEEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CC[C@](C)(C#N)C3)C2=O)cc1 1307950676 ZWPDVYJSYIBKOX-YGYUYSJASA-N 442.541 2.473 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccc(OC)nc1 1314399494 BKJUAADCSKSNJW-UHFFFAOYSA-N 447.543 2.460 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)F)C2)o1 1316531941 VORIUUQOHPDGPY-STQMWFEESA-N 425.461 2.175 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1358967398 JQTMIVVHTCZZPC-IPLHWJFFSA-N 444.557 2.459 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1359098914 HMAMWICPCRHMCZ-WKRCXCSHSA-N 438.594 2.167 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1359208392 LIKVNAXYVFYWJM-OAHLLOKOSA-N 435.550 2.262 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359215620 GEGPJCOMZUELMW-PXNSSMCTSA-N 427.505 2.098 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1359272617 XQTPNKXQIINOJR-QGZVFWFLSA-N 432.546 2.424 30 10 IEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCNS(C)(=O)=O 1359285393 DZXGOIOGGLTFKB-UHFFFAOYSA-N 432.319 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C2CCC1(C)CC2 1359334580 KPSDTDYWFUFSDA-UHFFFAOYSA-N 449.602 2.392 30 10 IEEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H](C)CS(C)(=O)=O 1444057679 FDOYWFWSTCLVOX-ZZPBVIFJSA-N 427.567 2.055 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1456064027 NZPQPYCFSSGXIM-ROUUACIJSA-N 429.521 2.382 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCO[C@](C)(C#N)C1 1456469328 AJFYWVBTSJBYOM-TZIWHRDSSA-N 447.582 2.381 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)C2CCC(NC(=O)COCCOC)CC2)cc1C#N 1458155429 QIUVYHLWMMPZTC-UHFFFAOYSA-N 446.504 2.403 30 10 IEEE N#C[C@]12CN(C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)C[C@H]1CS(=O)(=O)C2 1470161562 COIMNHOSRKAGGM-NCAQKEMTSA-N 442.310 2.155 30 10 IEEE C#C[C@H](NC(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1)c1ccc(Br)cc1 1470664388 ZFDPJMOKWSAIKZ-WBAXXEDZSA-N 425.323 2.179 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1471118477 ODLZGGXKQXZPDA-DJJJIMSYSA-N 434.892 2.153 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccnn3)CC2)n(-c2ccc(F)cc2)c1C 1473665228 AHYNUOMTDSLTKJ-UHFFFAOYSA-N 434.479 2.051 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)c1 1504323062 ULNAUGZBXVRTGT-FUHWJXTLSA-N 426.521 2.349 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCNC(=O)OC(C)(C)C)c1 1507549962 CRIZXOAFYBUKDF-UHFFFAOYSA-N 426.521 2.421 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1 1508039715 PLZVMXRAXJKQLC-HNNXBMFYSA-N 426.489 2.146 30 10 IEEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cs1 1513756390 KYMSWIDMHDBBQZ-AUUYWEPGSA-N 434.591 2.377 30 10 IEEE CCc1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1513806952 PLJZTHURECDACL-HNENSFHCSA-N 434.422 2.421 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1519056108 OZIVFJUFVGUALK-SFHVURJKSA-N 426.521 2.116 30 10 IEEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cccc(C#N)c3Br)no2)cn1 1520341199 SEDFDCJDGROKLK-AWEZNQCLSA-N 443.261 2.318 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccccc2Br)c1C)[C@@H]1CCS(=O)(=O)C1 1520934549 CKFHGEVVMNZEJX-CYBMUJFWSA-N 439.335 2.154 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc(C(N)=O)nc2)c(C(=O)OCC)c1C 1524508000 FNLVEARIYPZISY-UHFFFAOYSA-N 431.470 2.251 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1535343849 ITVIFZPFLMQTRG-QGZVFWFLSA-N 438.569 2.496 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1539133516 INHHAISJRZTXFY-UHFFFAOYSA-N 428.500 2.259 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1539204160 ZHYWEQDLTREHQM-SQNIBIBYSA-N 430.578 2.192 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1539362024 MICBJXJOQPXPKP-UHFFFAOYSA-N 435.532 2.049 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC1(C(N)=O)CCOCC1 1539389816 CXPGOROTPJLIJJ-UHFFFAOYSA-N 436.491 2.334 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1539407801 PQFDRMYJYZKGEM-UHFFFAOYSA-N 432.546 2.007 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1539432046 XKASJMBUNPWBPL-IEBWSBKVSA-N 426.540 2.030 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1539669071 KQVAFOZUNSUJIN-LJQANCHMSA-N 427.505 2.052 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1539669081 KVGCXSCJICYANN-CVEARBPZSA-N 447.552 2.449 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1539965990 CXLHNNAAFOFMBK-DBXWQHBBSA-N 438.594 2.311 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540028241 MECRLOHNJVZCHP-UHFFFAOYSA-N 441.923 2.243 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCCO1 1540797129 MNPPSYONKPCYFB-QHCPKHFHSA-N 439.516 2.266 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1540909878 RDWWQMLBLBUWIW-GJZGRUSLSA-N 433.669 2.385 30 10 IEEE Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)no1 1542198711 SZSVNDOAXWVGDY-JOCHJYFZSA-N 438.488 2.467 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 1545534786 RNFRCWWPRMVZDA-UHFFFAOYSA-N 447.524 2.006 30 10 IEEE CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1565609142 GTNHUSKMVOTJOH-SFHVURJKSA-N 429.414 2.298 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)CC2)o1 1570668061 GIGRGZSGKCWNRX-CQSZACIVSA-N 427.427 2.131 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1585100714 HYMDQKVLGJETLV-WMZOPIPTSA-N 432.569 2.434 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1585916297 AFZZHECHFFNBHV-WOJBJXKFSA-N 429.565 2.068 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)n(C)n1 1586321032 XHOWVYAYLOVLRP-IAGOWNOFSA-N 440.935 2.392 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN(C)CC(F)(F)F 1587905158 VKBIEKFRCRURQT-UHFFFAOYSA-N 442.873 2.425 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588049388 GEDBLSNGPYDSSW-IBGZPJMESA-N 437.525 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(OCCN(C)C)c1 1588213992 DRGYEUYFIPTQNY-UHFFFAOYSA-N 429.528 2.187 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1588385244 GTWZMLQKWLQLLV-OAHLLOKOSA-N 437.363 2.451 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCN1CCOC1=O 1588480646 AQPXOZWMQHOIMV-UHFFFAOYSA-N 435.463 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCn2nc(C)cc2C)CC1 1588884605 GRGKRIBDDNVGKO-UHFFFAOYSA-N 425.581 2.445 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1588993523 KKYXBCYLKFEEGB-KXBFYZLASA-N 441.557 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1589515499 OIJTXVUGYLZOBO-SXLOBPIMSA-N 425.533 2.186 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1595094821 YYSMXKCKCMTQPA-RXVVDRJESA-N 449.559 2.014 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1595496912 KQSPIEFQVKJSID-DOTOQJQBSA-N 431.562 2.276 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595517297 WGSCUTNOAQJTNU-HNNXBMFYSA-N 442.951 2.396 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CCO1 1612978487 SKYKWAOOLROJBH-XLIONFOSSA-N 427.505 2.149 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)CC1 1615956465 NKYNHEPLWNGRON-UHFFFAOYSA-N 435.488 2.318 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 1616734920 LHCKBAUIGYGCKC-OAHLLOKOSA-N 426.560 2.095 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1617605986 BXQHUBFALCBYME-LJQANCHMSA-N 426.521 2.212 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC(OCCO)CC1 1623164504 FQMNLZBYRYCQRK-FQEVSTJZSA-N 429.517 2.392 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1628510385 AOOBPBQRQFYHPN-CYBMUJFWSA-N 431.352 2.030 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)s1 1632983433 ABNYTVRYUHRYNG-LSDHHAIUSA-N 430.617 2.268 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(CC(=O)OC)CCCCC2)s1 1633518981 XANFOTZDFJZSIZ-UHFFFAOYSA-N 428.576 2.385 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCn4c(nnc4C(F)F)C3)C2)C1 1634406872 SSSKVGDLDSEYQA-DAIAYTDJSA-N 436.463 2.345 30 10 IEEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1637228097 GQVSAWPBFVDXDW-UHFFFAOYSA-N 425.551 2.322 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 1637775576 TYOVTLNSXUVUTB-ZDUSSCGKSA-N 448.453 2.320 30 10 IEEE C#CCN(C(=O)NC[C@H]1CCN1C1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1638655621 SXPFDUZBKTZRDZ-HXUWFJFHSA-N 434.581 2.284 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)C2)cc1 1639988976 BPHUNCWBLAOJLR-HNNXBMFYSA-N 444.582 2.496 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCc3nc(N)sc3C2)C1 1640503372 FZJPJZORKACKGO-ZDUSSCGKSA-N 432.347 2.469 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2ccc3[nH]ncc3c2)CC1 1641200483 GOLATZDVDHLZNZ-UHFFFAOYSA-N 441.538 2.060 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)cn1 1644099399 POCTXXUSBBNWOC-OAHLLOKOSA-N 426.546 2.065 30 10 IEEE N#Cc1cn(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c(=O)c2sccc12 1644162906 BREDYIALRDPHLV-MRXNPFEDSA-N 443.481 2.418 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(C3CN(C)C3)CC2)nnc1-c1ccc(Cl)cc1 1645187401 RKRLLRCOOMWDIC-UHFFFAOYSA-N 447.008 2.335 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1647774186 KBEAGICFRJZVLP-QZTJIDSGSA-N 434.334 2.459 30 10 IEEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 1648818774 AMDDILDMFBXERU-AWEZNQCLSA-N 427.461 2.039 30 10 IEEE N#Cc1cn(CC(=O)Nc2cccc(N3CCCC3=O)c2)nc1I 1652916509 QOEZVDPCSSGQPW-UHFFFAOYSA-N 435.225 2.125 30 10 IEEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1661204167 CIJBKAJIEUHRMC-UHFFFAOYSA-N 438.546 2.479 30 10 IEEE Cc1ccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c(O[C@H](C)CC(C)C)c1 1680338712 ACGFGUDHLLMSTR-MRXNPFEDSA-N 427.505 2.442 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689980058 KXXYZHDXPBMANQ-RTWAWAEBSA-N 429.590 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC1CCCCC1 1690031325 HBNDSOFANMYSAE-UHFFFAOYSA-N 447.543 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1690038232 IAJDWGRXBRSMOP-UHFFFAOYSA-N 427.574 2.255 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[S@](=O)C(C)(C)C)CC1 1690128542 FNLLHPJTXVEAKW-HKBQPEDESA-N 443.617 2.180 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CCS(C)(=O)=O)C1CC1 1690244240 VFQBRZOYNBSLKG-QFBILLFUSA-N 433.578 2.278 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690489026 YBALYFKWHHDVQX-UHFFFAOYSA-N 432.532 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)C(C)C)CC1 1690715969 YWCRRKYLSVMCJS-QGZVFWFLSA-N 425.599 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOC[C@H](C2CCC2)C1 1690724712 VDKXYBBICUUJIW-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCSCC2)CCOC1 1692588105 YHOYDAGKJWXTPE-FCHUYYIVSA-N 448.637 2.498 30 10 IEEE CC1(C)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C[C@H]21 1692850550 ABWZQTZHAQEOEL-IYBDPMFKSA-N 430.459 2.202 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)c1ccccc1 1694352635 DAPREUVRGWTCHW-FQEVSTJZSA-N 439.564 2.452 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCOC1 1696647206 MMYNGWCXEIFEQO-LJQANCHMSA-N 440.548 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1705496243 CBGZOKFCOQJBEE-WMZOPIPTSA-N 429.952 2.475 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1CCN(CCN(C)C)CC1 1705497885 JMIYRURHWLRPKM-QGZVFWFLSA-N 429.638 2.365 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1705511492 WMKLAUFQHVXQHW-LJQANCHMSA-N 425.533 2.287 30 10 IEEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705529224 AVEVEFSNODJNGL-UHFFFAOYSA-N 442.951 2.185 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1705596150 UVVDXUHRXUBGEK-SFHVURJKSA-N 431.544 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@@H]1C 1705598390 IOSRELSOIHRDCI-LEWJYISDSA-N 445.633 2.298 30 10 IEEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@H]1CCCCS1(=O)=O 1705630250 LUHGLELELOPFRC-HXUWFJFHSA-N 430.574 2.117 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccco2)CC1 1705632659 XUCRTUJGNVUVHI-UHFFFAOYSA-N 438.919 2.258 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC)CC1 1705640534 VNEJTGMYPUFGHI-SFHVURJKSA-N 432.569 2.142 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1705797274 STEWKBXBCFTVJZ-WCIQWLHISA-N 425.533 2.439 30 10 IEEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1705825681 ZZOUFFVCRXOJOP-KRWDZBQOSA-N 425.541 2.149 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@H]1C 1705855972 AZWMZDHMULAACY-SBUREZEXSA-N 443.548 2.157 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705883511 KSZSFKVLUOHHIB-KRWDZBQOSA-N 440.470 2.242 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCOC(C)(C)C 1706854073 DWNFFRKQJCJEGH-HNNXBMFYSA-N 434.566 2.211 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)s1 1707504397 DCZPCIJFJGBGHD-UHFFFAOYSA-N 443.554 2.382 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1707575669 ONZFJKXTEJJSHT-UHFFFAOYSA-N 430.516 2.435 30 10 IEEE CCC[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1709473476 XNXWZNKAVTYOOT-MEUCICPISA-N 426.525 2.077 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712263831 GSVIDERHONVIBT-AYAKEVCGSA-N 440.479 2.083 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCC(=O)NC1CC1 1712635384 RKYAZUZOTRPJIU-LPHOPBHVSA-N 430.553 2.191 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1722296261 OIDSXHPVGXZJJC-ZWKOTPCHSA-N 438.580 2.215 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722357804 AMAHEROPJAOGJC-FQEVSTJZSA-N 443.573 2.229 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1722361951 LAFLRBAWOFCQIA-KRWDZBQOSA-N 449.964 2.213 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSc1ccc(C)cc1 1722384479 WNAIUDUOWDLMSD-SFHVURJKSA-N 428.583 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCNC(=O)c1occc1C 1722398912 FLLDTTZYQXHPSE-UHFFFAOYSA-N 430.512 2.448 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCn1cncn1 1722418007 AYTFHLJOTPVYNF-QFIPXVFZSA-N 439.495 2.001 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](COC)C1)c1ccccc1 1722539958 FNTKAWVTLQPWOA-AZUAARDMSA-N 425.533 2.354 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722619089 YPWRBTCGIBBVSY-MSOLQXFVSA-N 437.610 2.279 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1722636170 IAZXYRAKLQQDNE-UHFFFAOYSA-N 432.956 2.393 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCOC1 1722656449 VJXFNDSXLWZMCN-QHCPKHFHSA-N 434.500 2.269 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOC)C1 1722712822 ABFBYHXUQKUCOB-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722716702 WUHQZXGQEQDTNQ-IEBWSBKVSA-N 431.562 2.008 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@@H]1CC 1722727332 KKJIMSZLJNEQBB-HOCLYGCPSA-N 435.550 2.231 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1722866938 DLPQSGFSRMDDHZ-NVXWUHKLSA-N 440.529 2.479 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1740553374 RNJBFFYLSIEVRW-AEFFLSMTSA-N 443.573 2.403 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740623963 BJUASESGKUPAEB-FQEVSTJZSA-N 442.585 2.109 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1740643465 JFSDXQTWTIPNRY-HXUWFJFHSA-N 435.528 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740655711 CJNUGKMJHQXCCD-JOCHJYFZSA-N 438.620 2.416 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1ccc(C)n(C)c1=O 1740659874 XXBCMUIDPJHDCN-UHFFFAOYSA-N 445.523 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@@H](F)C1 1740684147 XFFSIPYQLQIOQD-IAGOWNOFSA-N 448.568 2.462 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnn(CC)c2)CC1 1740689906 KFNWQUSCWSHYKM-UHFFFAOYSA-N 446.559 2.167 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740704019 IOAWMBFCNOAFCZ-CJAUYULYSA-N 446.555 2.334 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740721313 FHGFIYFKEOYLPW-SFHVURJKSA-N 440.573 2.088 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1740960824 CNFOGYLKLMEIEC-UHFFFAOYSA-N 442.539 2.447 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2c(C)cccc2C)C1 1740982192 ZJMHBNNBGBXBLI-ZWKOTPCHSA-N 438.532 2.266 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1)N(C)C 1741862963 NDPCCDFBOMMBHT-MJGOQNOKSA-N 435.536 2.112 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2CCN(C(=O)OC)CC2)CCOC1 1746646235 DGQRUVFJSHFZHJ-IIBYNOLFSA-N 434.541 2.147 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(F)(F)F 1748404954 KDVVDMXNESNBFG-DNVCBOLYSA-N 436.438 2.486 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1748756231 HOHBROANEPBENR-UHFFFAOYSA-N 433.516 2.373 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1748784985 WSVQAHQXBFJFAX-QHCPKHFHSA-N 436.516 2.111 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748812398 VCBDPYNQFWXJKA-KRWDZBQOSA-N 442.570 2.088 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1749032056 SGCUYXICLZUVFD-UHFFFAOYSA-N 434.529 2.330 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749128045 RDBDZNJUKFQGKG-AZUAARDMSA-N 441.580 2.355 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](C(N)=O)C1 1749657862 DIBKDCHEDXDLSU-HUUCEWRRSA-N 442.589 2.135 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2nccs2)CC1 1749683218 MGNLSRNLZFLSJX-WMZOPIPTSA-N 446.577 2.145 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749729543 NARMPOKUPUMNCM-IBGZPJMESA-N 445.589 2.159 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(c2nc(C)no2)CC1 1749729793 SCBPTHDNCHWDJA-UHFFFAOYSA-N 443.533 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749730923 VXDCMOUXGZFRKV-KRWDZBQOSA-N 436.582 2.063 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749755038 CRMMCOAONREUEC-GOSISDBHSA-N 434.610 2.429 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1750061729 SSEDAPYPPNPZPT-HSZRJFAPSA-N 441.532 2.254 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750068901 GRJUJHNKOTYOLU-JKSUJKDBSA-N 441.561 2.304 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N[C@H](C)CC 1760160421 CZRFLYLYVVVLAF-OAHLLOKOSA-N 430.940 2.236 30 10 IEEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760175292 ZUHBLNSLALFWRG-UHFFFAOYSA-N 430.556 2.338 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760190969 YDZAOMDDIHEFKN-QGZVFWFLSA-N 434.949 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760271632 DXDKLFGAMRIXMV-UHFFFAOYSA-N 441.605 2.394 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOCC1 1760324308 JMLFCVLDNUNKBU-IRLDBZIGSA-N 426.565 2.014 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCCS(C)(=O)=O 1760324951 NEKNPWWWJAEABB-QUCCMNQESA-N 433.578 2.116 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1760330602 IZVOQBZTITUDNP-UHFFFAOYSA-N 429.550 2.420 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760522082 LRDTVOYTIXKODL-QZTJIDSGSA-N 441.507 2.323 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]2CCC[C@H]21 1760526400 NAROUNRZDNMBKP-JKSUJKDBSA-N 428.562 2.341 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1760548018 WLUDWPYRWWRMNI-WMZHIEFXSA-N 441.532 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760554118 RZYJNIWAAPFGAO-UHFFFAOYSA-N 449.621 2.231 30 10 IEEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1762385922 FQOBPJLRWOMZAJ-QGZVFWFLSA-N 445.568 2.444 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1765432890 CIDKYPAZQSBGRO-CVEARBPZSA-N 448.369 2.259 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCCCN(Cc3ccccc3)S1(=O)=O)OCO2 1851269781 PCARUTLAWXSAKX-UHFFFAOYSA-N 427.482 2.199 30 10 IEEE N#Cc1c(NC(=O)[C@@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)nc2n1CCCC2 1851879807 ZNKMFXNMFMIBTK-QGZVFWFLSA-N 433.578 2.099 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C(=O)C2 1853009557 FIFZEZJAIMWULD-MRXNPFEDSA-N 427.457 2.214 30 10 IEEE CCc1c(C(=O)Nc2c3c(nn2CCC#N)CCC3)nnn1-c1ccc2c(c1)OCCO2 1853082710 BKBGXQSCBOPHMX-UHFFFAOYSA-N 433.472 2.452 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCc3ccccc32)C(=O)C12CCCCC2 1854428947 LUWHREMKEDDWAH-LJQANCHMSA-N 429.542 2.334 30 10 IEEE C[C@H]1C(=O)N(C(=O)COc2ccccc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855735726 RSOALTIUWKOZMX-AWEZNQCLSA-N 447.900 2.039 30 10 IEEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 1856158803 YEMDVQNNPUFRJX-INIZCTEOSA-N 437.949 2.114 30 10 IEEE N#Cc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC[C@H](CF)C4)ccc32)cc1 1856341014 JAGGKAGOBYACKS-OAHLLOKOSA-N 427.457 2.268 30 10 IEEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856418811 KJCKSLNHPZQRMD-CRAIPNDOSA-N 437.949 2.045 30 10 IEEE CC(C)OCCCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933415 GIXXSASQCTYDMN-IBGZPJMESA-N 447.532 2.407 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(c3ncccn3)CC1)n2CC 1873545705 NFZMIHWABSIBLR-UHFFFAOYSA-N 432.532 2.382 30 10 IEEE COCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874503194 VPYMYYKQRQIIRT-DNTJNYDQSA-N 438.506 2.321 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NCCN3CCC(C#N)CC3)SCC(=O)N2C2CC2)cc1 1889814941 ZXEYPDOQICMDFL-FGZHOGPDSA-N 442.585 2.194 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c(F)c1 1891048420 PFWMLPCKAGSVQQ-UHFFFAOYSA-N 446.421 2.323 30 10 IEEE N#Cc1cccnc1OC1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 1891611200 KILJKRDDBFSOMJ-UHFFFAOYSA-N 438.509 2.021 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254805371 KCZLKTHZIGHQQW-ZFWWWQNUSA-N 437.321 2.472 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255647689 CFLPFGSWSBUDOH-VXGBXAGGSA-N 430.232 2.108 30 10 IEEE CCCN(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2255652180 QNXYHRMRMUWGSN-UHFFFAOYSA-N 434.346 2.153 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255657537 QBEVGMRVQWXUED-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)OCC12CCC2 2255659772 XBCIDJADSIWQQK-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE CC1(C)OB(c2csc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2256924831 YBOFRPQLQFLAIN-UHFFFAOYSA-N 444.362 2.364 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258953364 BWSDEBSXYHCLTF-QGZVFWFLSA-N 435.374 2.117 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267144516 XLPGVCIHLKEBTQ-LXTVHRRPSA-N 446.357 2.131 30 10 IEEE CC1(C)C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267520505 NJVUMTPBRNSUJJ-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267560180 ZKELJTBDFSYOPA-UHFFFAOYSA-N 448.325 2.041 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CNc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267769786 JYIODRXXGSZXSI-UHFFFAOYSA-N 449.313 2.288 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268644984 DFQOGZJVVGMBFJ-JKSUJKDBSA-N 447.341 2.344 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2273748580 AIPZUSCYHJXGIF-SFHVURJKSA-N 448.369 2.450 30 10 IEEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OC 2325666227 QLZMRYMIZNFGEI-UHFFFAOYSA-N 446.481 2.140 30 10 IEEE COc1[nH]c(=NC[C@H]2COCCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2339787766 FRBARAGINUKNKE-IBGZPJMESA-N 439.365 2.124 30 10 IEEE Cc1cc(CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343645789 ZJOBORLEGUXWTQ-GOSISDBHSA-N 448.369 2.186 30 10 IEEE CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925100 BMRLHRRQGHOKJR-MRXNPFEDSA-N 440.525 2.094 30 10 IEEE CC[C@](C)(NS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 40377373 OTVVNTQZBYINQT-NSHDSACASA-N 429.134 2.405 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CO)c2cccc(Br)c2)c1 443504919 ZGEQJUUOJHEOMD-QGZVFWFLSA-N 439.331 2.377 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](CO)c1cccnc1 516336154 AREZQWJYQBQJHY-OAHLLOKOSA-N 434.290 2.386 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 523178666 DWIYEIWWFZZVEG-AWEZNQCLSA-N 432.492 2.485 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 549267044 WYHIYSRWMGLATB-LJQANCHMSA-N 445.589 2.480 30 10 IEEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 549292420 QULOXVGVYNCGTC-HXUWFJFHSA-N 444.511 2.130 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 558020124 ANNSCYKBZNJPHQ-CYBMUJFWSA-N 449.309 2.003 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 564380469 YNPYZIUEGWFAEC-HXUWFJFHSA-N 429.521 2.286 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c(F)c1 586862710 AMKSMIBDXJSMOW-HNNXBMFYSA-N 432.402 2.310 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 588152377 QOEHYTVWMBZQMD-MAUKXSAKSA-N 438.549 2.142 30 10 IEEE Cn1cccc1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 619850992 KSARDDFUCZWYTK-HXUWFJFHSA-N 445.527 2.297 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 670232272 KHZPOCCNRJYJSY-UNMCSNQZSA-N 438.576 2.310 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1-c1ccc(OC(F)F)cc1 731288909 XLJCTIBKRLIFQV-UHFFFAOYSA-N 447.423 2.309 30 10 IEEE C=CCOCC(=O)O[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 734730270 FZZLDQWNPGPRKL-MRXNPFEDSA-N 446.363 2.433 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccc(F)cc1 743725187 HPRQBSUVHFVGST-UHFFFAOYSA-N 442.541 2.222 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C[C@@H](C)C#N)C3CC3)c2)CC1 754173997 BZBTZSNDFHAHQM-HNNXBMFYSA-N 438.981 2.430 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 771531213 ZODJDNWNUOULIA-SFHVURJKSA-N 449.540 2.206 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1Cc1ccon1 772921375 FJWPVWZIKJXSFL-UHFFFAOYSA-N 442.500 2.367 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)NS(=O)(=O)c2cncc(Br)c2)cc1 777308421 CVOZGWMVDFVGLB-INIZCTEOSA-N 435.303 2.190 30 10 IEEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC[C@H]1COc2ccccc2O1 780174950 FRAZVGRMNZDYAB-DFFLPILJSA-N 432.473 2.136 30 10 IEEE CN(CCOc1ccc(Br)cc1)C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780203340 BANSYIGOFURXFE-LJQANCHMSA-N 447.285 2.435 30 10 IEEE CCOC(=O)C1=C(COC(=O)[C@@H](O)c2ccc(C#N)cc2)NC(=O)N[C@@H]1c1ccccc1 780203418 AFNOLMLCVJSHAS-UXHICEINSA-N 435.436 2.006 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 787061105 CFLCZWRDTKZEDA-SCLBCKFNSA-N 442.378 2.251 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C)cc2Br)n1 788695712 ZLNMRMAYDNSVEA-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE COCCOc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=N[C@H](C)COC)c1 789968197 MJZPOOATZGKNBZ-OAHLLOKOSA-N 430.534 2.188 30 10 IEEE C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNS(=O)(=O)CC3(C#N)CCCC3)cc2)C1=O 790350023 NPGXERCBLCIFFU-FQEVSTJZSA-N 430.530 2.415 30 10 IEEE N#C[C@@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1cnc2ccccc2n1 792111578 VGWUXUPJKSDZBO-VGSWGCGISA-N 425.448 2.282 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCSC1 794441008 MUEZUGXMYASXDM-WMLDXEAASA-N 436.603 2.200 30 10 IEEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 796784840 NXHOURJYGIFTTJ-UHFFFAOYSA-N 439.497 2.314 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 856716382 SXOHDKDSCPIJFD-QHCPKHFHSA-N 446.548 2.179 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@H](C#N)c2nc3ccccc3s2)c1 915099591 YYMFTOOLKVLEHE-HNNXBMFYSA-N 444.538 2.365 30 10 IEEE CCc1onc(C)c1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 918822184 LGWMRXREIONVBD-UHFFFAOYSA-N 439.428 2.171 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1 1084028705 PWPIRWCVUCRBJR-UHFFFAOYSA-N 433.444 2.456 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCCO2)cc1 1119042990 YJHFDNINSNTOLZ-IFMALSPDSA-N 447.543 2.474 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCCO2)cc1 1119042991 YJHFDNINSNTOLZ-IRLDBZIGSA-N 447.543 2.474 30 10 IEEE COc1cccc([C@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)OC)c1 1131332248 CTYFUGQVQVKUPQ-UXHICEINSA-N 436.468 2.276 30 10 IEEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 1131460952 XUJHRTGCTLFNTR-LJQANCHMSA-N 445.585 2.183 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1158764052 RAWZZAOXNGEFAG-FUHWJXTLSA-N 425.510 2.185 30 10 IEEE O=C(CSc1ccc2c(c1)OCCO2)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272303 FPRSTHWQGCSCET-UHFFFAOYSA-N 428.466 2.454 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)nc1 1198230154 PBHSKVCQNQIFGQ-GOSISDBHSA-N 432.933 2.275 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286414671 CERRCWIEACIXMY-UHFFFAOYSA-N 447.543 2.052 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286442708 KAONRHTYIYABME-AZUAARDMSA-N 442.589 2.312 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H](C)C1 1286443028 VMVCEYBYXXVCMT-SFHVURJKSA-N 443.621 2.430 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286605231 SXCLTXXTMJKLLA-AEFFLSMTSA-N 426.477 2.161 30 10 IEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286708145 AHWSBSYXSBURIY-UHFFFAOYSA-N 449.577 2.018 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1286710991 GVMCUZICUTZZBQ-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](OC)C1 1286817423 SLHCXRNNQCYUQF-KRWDZBQOSA-N 427.530 2.319 30 10 IEEE CC(C)CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1287851944 JQIJDDOQGKJCQN-YJBOKZPZSA-N 429.587 2.401 30 10 IEEE C[S@](=O)C1(C(=O)NCc2cccc(OCC#N)c2)CCN(C(=O)OC(C)(C)C)CC1 1293361115 FTVXNTMEQPKPGH-PMERELPUSA-N 435.546 2.353 30 10 IEEE CCC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1293878239 WCKPYDHPGFQPCU-IIBYNOLFSA-N 431.562 2.239 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1299573284 CVCPVPAHAGBRQD-GOSISDBHSA-N 440.548 2.458 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300496863 VNPORTOLXDGNRJ-IRXDYDNUSA-N 448.614 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1300557708 VQESNULGNZWZNR-HNNXBMFYSA-N 449.964 2.062 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCc1cnn(C)n1 1300578379 LQVAXKOYVXUBSX-OAQYLSRUSA-N 431.500 2.015 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C 1300579667 YEJWSFHEVCMYLL-FQEVSTJZSA-N 440.569 2.339 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)NCC=C 1300656422 GYSPHQKXCAQYLG-UHFFFAOYSA-N 446.349 2.404 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1300684016 WAKFWGSNDHBESO-NRFANRHFSA-N 443.555 2.117 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1300695994 QSAKYQNQXXQCMA-UHFFFAOYSA-N 443.433 2.279 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1301124063 FTAHGACSXCEJGW-QGZVFWFLSA-N 433.553 2.478 30 10 IEEE COC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1301399777 PQRSGRSFSBDHET-SCLBCKFNSA-N 428.518 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1301491294 OKNVAWJRZSWBJS-UHFFFAOYSA-N 439.564 2.241 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301491736 WPKIBQCMEKKWDE-UHFFFAOYSA-N 441.923 2.314 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCn2cc(CO)nn2)cc1 1302989951 XAFPDYJWJLKBGK-QGZVFWFLSA-N 442.474 2.472 30 10 IEEE CC(C)CN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1303192699 YKFHOFQRQKHTQM-IRXDYDNUSA-N 426.521 2.378 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1303329388 BRZVGOGMKOYTDZ-XXBNENTESA-N 438.532 2.262 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1 1312936099 FYIZDQVJMBFKTM-BZUAXINKSA-N 428.352 2.283 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 1354429498 RIFFHXNDZAANLD-SREVYHEPSA-N 434.500 2.008 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cn1 1357677469 GRUVHXRBFIJQIW-UHFFFAOYSA-N 438.431 2.048 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1358891094 ZGYYOHCBHYTUSM-SJLPKXTDSA-N 438.557 2.087 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)OCC)c1 1358902115 FKGRTPZZBFQLQC-GOSISDBHSA-N 438.532 2.101 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358931874 RBRJNRICYZNTPT-LJQANCHMSA-N 432.532 2.075 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358932789 WDFDSZMKWXXNBN-RXVVDRJESA-N 440.617 2.333 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)(C)C)cs1 1358978842 WGQHFIYDPGMJDF-HNNXBMFYSA-N 431.587 2.055 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2conc2COC)CC1 1359036853 LQZVPQLLOFBRKW-UHFFFAOYSA-N 440.935 2.460 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1359064376 RFMXQKGLCZPLEL-PNLZDCPESA-N 443.573 2.447 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1359216732 CJLJOZYRCBRGAG-DLBZAZTESA-N 448.568 2.220 30 10 IEEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC)C1CC1 1359247228 WNBNXMPJIMDNHW-UHFFFAOYSA-N 440.367 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 1442926040 RQIYZNHNGVCTHA-UHFFFAOYSA-N 442.516 2.107 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2cc(Cl)nnc2C1 1452264261 AUXAPURRADDEGK-HNNXBMFYSA-N 447.948 2.168 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 1465259095 LRJYABFRCQRPIT-KRWDZBQOSA-N 448.467 2.168 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1503874648 QZILJQYDAPDNGI-OAHLLOKOSA-N 435.431 2.010 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)cc1 1505120229 BOFPXVHOBZQBRJ-SFHVURJKSA-N 429.546 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@H](C)CC 1507527026 FYOSCLQIUMPBSX-CVEARBPZSA-N 445.593 2.001 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)CCCN2C 1507636517 GYZHHQLISXJHHF-UHFFFAOYSA-N 439.523 2.429 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(N(C)C)cc1 1507651509 BXGCGBGUESDGCE-UHFFFAOYSA-N 430.512 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)CCC(C)C)CC1 1507737073 YVZPDIRIVVUWRI-QHCPKHFHSA-N 426.565 2.426 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1508073378 WMTHPCUOOXALLP-KRWDZBQOSA-N 434.585 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C/C(C)=C/c1ccccc1 1508141575 VYVCRKZPKXSAKK-LQATUXICSA-N 443.573 2.370 30 10 IEEE CC(C)OC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1509833810 BFZNGNQAYYIQAS-VZCXRCSSSA-N 428.537 2.466 30 10 IEEE Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511900880 KDWRWVGZDRNRBK-ONNQFXDFSA-N 442.907 2.344 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1512579360 HAKFGHMSSUSPIC-GAJHUEQPSA-N 441.532 2.131 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514271180 RVVVQXNHEPIXJI-GHTZIAJQSA-N 429.594 2.362 30 10 IEEE CCOCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)CC1 1516671195 WIBAKOKLNYEVOJ-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1517016753 BONPORKYEWELJN-TXPKVOOTSA-N 430.940 2.467 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1occc1C 1519285876 SYLHFZRJCMEAEH-HNNXBMFYSA-N 438.488 2.487 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)NC(C)C 1519336621 XYXBXMQNECCIIE-RLLQIKCJSA-N 440.548 2.270 30 10 IEEE C[C@H](Sc1nc(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cs1)C(N)=O 1527044446 YPFXGUBRPHVQAQ-AWEZNQCLSA-N 443.598 2.304 30 10 IEEE N#Cc1cccc(C2(NC(=O)CSc3nnnn3CC(F)(F)F)CCOCC2)c1 1529258032 CQDFPNBQTDGNIR-UHFFFAOYSA-N 426.424 2.021 30 10 IEEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1530404672 ZMEDANNOZBWTAU-ICSRJNTNSA-N 434.496 2.375 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)CC2=O)cn1 1536467698 RDMFGTDIFFYFNM-YJBOKZPZSA-N 435.406 2.174 30 10 IEEE C#CC[C@@]1(C(=O)NCCN2Cc3ccccc3OCC2=O)CCCN1C(=O)OC(C)(C)C 1537841467 SUVVPKJAFYNXPL-DEOSSOPVSA-N 441.528 2.317 30 10 IEEE CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538540596 ZDBLRSVAYWMODD-XOBRGWDASA-N 437.949 2.013 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1539226228 VUGUJKYXDNAQOP-SJORKVTESA-N 442.532 2.062 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)N(C)C)CC1 1539441115 LARIEQCMJVJOPR-INIZCTEOSA-N 431.382 2.413 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1539556680 GKCRDONHSKEAFJ-QFBILLFUSA-N 438.619 2.085 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)CC1 1539884471 KXXZELKNSJZKLL-UHFFFAOYSA-N 449.559 2.367 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)OC1CCCC1 1540870852 YLLPXWJYUIQBHW-UHFFFAOYSA-N 440.552 2.065 30 10 IEEE CC(C)(C)Cc1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541170459 STAVICYYSLNYIL-JHBCHSCWSA-N 442.564 2.398 30 10 IEEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCCCCCO)CC2 1554365260 RKKFGRWTZCPELK-UHFFFAOYSA-N 433.516 2.026 30 10 IEEE COCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1555444584 ZWBQIBJGLGIDJI-GCJKJVERSA-N 433.553 2.254 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(C)COCCO1 1555558952 KMSCEQCZSVGRCI-HSZRJFAPSA-N 438.532 2.453 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C[C@H]1OC 1555790980 DTDSSNCZDVKXDO-CALCHBBNSA-N 426.502 2.084 30 10 IEEE C#CCN1CCC[C@H]1C(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1558301379 WRSZDTCPOZIROC-QFIPXVFZSA-N 440.588 2.453 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)nn1 1561820074 VKCQGNIPXKYXHD-UHFFFAOYSA-N 445.730 2.396 30 10 IEEE CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1c(F)cccc1F 1565793060 WBWZADHMAUFTEQ-KRWDZBQOSA-N 425.432 2.434 30 10 IEEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1587793076 GCJRPAQYTMIJPB-NHCUHLMSSA-N 444.624 2.245 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588049579 IREFHQXHDPWDGG-LJQANCHMSA-N 428.562 2.196 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCSC1 1588140113 UCMXJIGMFYNHPY-MSOLQXFVSA-N 445.589 2.412 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589054145 YXJSEIYTBCDCTK-KRWDZBQOSA-N 438.557 2.134 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1589059761 JODYKBJVLRZQEM-MRXNPFEDSA-N 425.624 2.020 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1589495870 UMOTYFPDTNWWCJ-CTNGQTDRSA-N 445.589 2.387 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1594720516 OBLCTUUBOWRABS-UHFFFAOYSA-N 435.532 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1595798668 RYXQWFUTNJDRRJ-MOPGFXCFSA-N 437.610 2.185 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@@H]1CCCOC1 1603346459 RNLACFVLNMTCIO-MRXNPFEDSA-N 445.545 2.472 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2nncn2C)CCOC1 1610346697 DNNQQHKMQFCOHC-QFIPXVFZSA-N 436.520 2.004 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2ccnn2)c1C 1611828327 DSNXKDLBZZPYFD-OALUTQOASA-N 436.520 2.446 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1613002446 RICSDTHFULIBGO-DPHDRGAJSA-N 442.907 2.350 30 10 IEEE CC[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1613237479 DKYVPAYIZVJAQD-FOIQADDNSA-N 431.516 2.488 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N=[S@](C)(=O)N(C)C 1613299372 NTQOXZCWXRBXKZ-NDEPHWFRSA-N 427.527 2.375 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CN3CCN(c4ccc(C#N)cn4)CC3)C2)C1 1615233579 KDNRGLTVJYWXNB-AUSIDOKSSA-N 427.549 2.491 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCOC1 1617780476 OANXVPOXGWYHJQ-LJQANCHMSA-N 438.532 2.356 30 10 IEEE COC[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619585224 GSUPYTIGOOCLQD-INIZCTEOSA-N 428.585 2.389 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)CC1=O 1619937197 CFKYVORGQFFRJU-LJQANCHMSA-N 440.548 2.173 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)cc1 1626004621 UPHCBZJYGPAMLS-CLCOLTQESA-N 426.502 2.480 30 10 IEEE CNC(=O)c1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc1 1626692842 CXXDMNCHMJNNRZ-FRIYVGAWSA-N 426.517 2.449 30 10 IEEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1628391917 RXTMNABXGACKOY-SJKOYZFVSA-N 441.431 2.359 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)C1 1629001327 DUYALPJGJOMHQR-KRWDZBQOSA-N 449.374 2.281 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)cc2Sc2ccccc2)CC1 1632961095 TUBASLVZGPRDNR-UHFFFAOYSA-N 429.567 2.372 30 10 IEEE C[C@]1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1634260300 YRPMEUHJXOZTST-ZJSXRUAMSA-N 434.496 2.343 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2ccc(Br)cc2C#N)C1=O 1638099048 LANSSVLUZDCWAY-LJQANCHMSA-N 427.258 2.362 30 10 IEEE CCn1c(=O)nc(O)c2c(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc(C3CC3)nc21 1639963378 XNEHRRGJQNCJMX-SFHVURJKSA-N 433.468 2.072 30 10 IEEE C#CCCN(CCOC)C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1641231524 FILVCXAMMAHYCB-UHFFFAOYSA-N 440.357 2.204 30 10 IEEE C=CC1(CC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CN(C(=O)OC(C)(C)C)C1 1642058649 GVOQIMQXFYJYPX-MRXNPFEDSA-N 441.594 2.120 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1 1642692641 OPNAGVHOFZJNEF-WOJBJXKFSA-N 439.537 2.128 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1643808472 CKQBVBXAEGQBSZ-SFHVURJKSA-N 432.496 2.372 30 10 IEEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1644084003 PQJVZNYUBLNUNB-XPGWFJOJSA-N 426.561 2.367 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3cccc(OC)c3)no2)cc1 1647744792 GQMLSFSASVRUOZ-UHFFFAOYSA-N 425.466 2.192 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(C3CCOCC3)ns2)s1 1648823385 UFQKPQOCKJBXTE-UHFFFAOYSA-N 428.561 2.139 30 10 IEEE C#CC[C@]1(C(=O)NC2CN(c3nccn4nc(C)cc34)C2)CCCN1C(=O)OC(C)(C)C 1648845343 OLDODTQAVRIVQN-HSZRJFAPSA-N 438.532 2.136 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cn2ccc(C#N)cc2=O)cc1 1652962022 FSQPBRNCPSOWNP-UHFFFAOYSA-N 428.514 2.312 30 10 IEEE COC(=O)[C@H]1CN(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1654754770 HGXUSTJCUYRKHJ-KRWDZBQOSA-N 441.507 2.080 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)CC1 1655389594 NHSXOFSSUZBGSX-AQNXPRMDSA-N 433.597 2.153 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1Br 1663612842 IAHBHJDTUSMNAW-CYBMUJFWSA-N 446.342 2.193 30 10 IEEE C#C[C@H](NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)C1CCOCC1 1672738918 PHJAWKJLRIOJDP-QHCPKHFHSA-N 440.588 2.085 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)CC1 1678374489 WSRCHSXIWHATPN-VQTJNVASSA-N 446.596 2.463 30 10 IEEE C#CCN(C)CCCNC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1681506859 XPBIKDPXYOGOFN-UHFFFAOYSA-N 438.551 2.302 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1689961062 JYDJKBDKVZYSDG-CALCHBBNSA-N 435.532 2.163 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689980691 WFLUUYUATYRBPY-YWZLYKJASA-N 436.603 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)CCC)C1 1690245559 JWPICXWJKOOYFE-XCJLJZCSSA-N 430.597 2.379 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1690255530 RZZIRPVAEBPZJC-IRXDYDNUSA-N 425.599 2.029 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1690622494 QNAYYIAFVTXPTI-QGZVFWFLSA-N 426.583 2.168 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCCC2)CC1 1692495271 DPXDEKGCHHYJMM-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCn2ccnc21 1694327052 LMZRCWYLLLSHEL-BTYIYWSLSA-N 428.516 2.413 30 10 IEEE CCC1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1694898219 HDMKTKCLGCCLHM-QURGRASLSA-N 435.532 2.417 30 10 IEEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1697866159 GHHUDGUIIVQGOG-UHFFFAOYSA-N 431.500 2.222 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705667710 QCFUSUCSUHAYIR-HOYKHHGWSA-N 434.544 2.462 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1705694542 BVVCNCNAWUSGLG-MOPGFXCFSA-N 429.546 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705704234 RKZLPIRYHSUQLX-JTJHWIPRSA-N 441.580 2.262 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705734343 LSDFOCNTLBGVAO-OAQYLSRUSA-N 441.624 2.481 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705879572 DMGJBHBIAVVCSF-INIZCTEOSA-N 444.502 2.037 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1705880536 IKHNGMCPMAQNDC-UYAOXDASSA-N 440.548 2.316 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(OC)CCOC1 1705881177 DXCQDICHWFYPQM-GOSISDBHSA-N 440.342 2.480 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cnn(C)c1C 1705898250 GQPYPAVOYUDEPP-UHFFFAOYSA-N 430.516 2.474 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705942831 GGRIMUUUQJUNIF-UHFFFAOYSA-N 426.550 2.318 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F 1706832345 MITSJSFMOIMRBR-ZDUSSCGKSA-N 427.477 2.315 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1712817587 AGSBGSOPMKQTGU-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722345516 GENSSHVBDUKOTN-UYAOXDASSA-N 443.573 2.227 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360963 XFKAMUAAZTUOSX-LJQANCHMSA-N 445.589 2.349 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365840 FPBVMXRSGCILRF-NZQKXSOJSA-N 442.585 2.470 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1722366965 LHGWBDBHYLNJAG-HNNXBMFYSA-N 442.463 2.414 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1C 1722388930 BDYNNDWJUGWBBW-MOPGFXCFSA-N 443.573 2.127 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2ccc(C)nc2)n1 1722429578 OFGBRNNVFAHGAL-OAQYLSRUSA-N 435.532 2.364 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722439908 UGYADJUBDVCEHW-SZPZYZBQSA-N 435.620 2.387 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1723643402 MFIZJQVTYXSEHT-QGZVFWFLSA-N 438.305 2.013 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccccc1OC 1727607007 HRJSUUMEJXPECE-QGZVFWFLSA-N 432.532 2.469 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1727927543 FTAIWRMVCAWFNZ-KRWDZBQOSA-N 437.548 2.038 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730480010 IHWFFRDJMDVBHT-GOEBONIOSA-N 440.483 2.208 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)COC)CC1 1730805714 UMVKYUPCJKCYKQ-KRWDZBQOSA-N 440.548 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSc1ccccc1 1740655460 CEXJBEOXKSMRKH-GOSISDBHSA-N 428.583 2.435 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1F 1740708730 AJHWWUGIDIWAIV-AWEZNQCLSA-N 425.555 2.030 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740719904 UFBMWYLYHNOQBV-GOSISDBHSA-N 425.558 2.055 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740791852 RRYCHUOGBXMFKJ-IBGZPJMESA-N 437.552 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOC(C)(C)C1 1740993713 HAYHASJHBVMBMH-UHFFFAOYSA-N 438.525 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]3CCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1740994670 UVJHWRZKPJABQL-UEXGIBASSA-N 438.594 2.300 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1741797452 VUIUZKNXNLYWNM-CVEARBPZSA-N 425.493 2.207 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N(C)C)cc1Br 1742205983 VCNKLHOVHXIELI-OAHLLOKOSA-N 447.337 2.223 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1743408218 ZJUKCMFCJGKFNS-RTBURBONSA-N 449.559 2.226 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1749115205 NGJNVKODYUUKJH-UYAOXDASSA-N 439.564 2.119 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1749459547 MQMRGGKXJJGYQA-SFHVURJKSA-N 437.548 2.072 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1750005908 DHIUYBSBJBYLIA-JYLXEMOASA-N 434.585 2.241 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1750203451 HGHJKJKDQJRDDD-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2([S@@](C)=O)CC2)c1 1760126384 XBHJYOFWHOGDSB-JGCGQSQUSA-N 448.552 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OCC(F)(F)F)c1 1760200515 LORORPKXBPLOBD-UHFFFAOYSA-N 429.406 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1760217875 PMMKPLYMLLWEHQ-WOJBJXKFSA-N 446.555 2.227 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCOC[C@@H]1OC 1760251352 YDFUPPOMJXMOHN-IRLDBZIGSA-N 437.544 2.419 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@H](C)C2)CC1 1760260128 WFVAUZNUOFQEFV-VXKWHMMOSA-N 428.625 2.439 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccsc2)CC1 1760270386 WFJSUSQDRSNTMS-IBGZPJMESA-N 427.574 2.442 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1760291056 YWCJRDBDPGPBCE-DHIUTWEWSA-N 429.565 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)CC1CCC1 1760316029 LHXRFBDWHUCHIA-NXHRZFHOSA-N 425.599 2.496 30 10 IEEE C=CC1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1760406061 QJEPWQWWGBTQJP-RTBURBONSA-N 437.610 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1760553685 GIVLRLNOFMBSKM-PBHICJAKSA-N 435.525 2.167 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C1CC(C(C)(C)C)C1 1761498485 FYVKQSUPNXIUQG-RYKRPPSOSA-N 449.625 2.062 30 10 IEEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1761996721 VVEKAQMYBQXCMZ-BFQBXFRASA-N 449.515 2.430 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1763512038 CYVPRFDWWDDAAI-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1765472592 QJDDAPITWDLTFB-FFZOFVMBSA-N 449.559 2.084 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1768426582 UBPSHINCNTZDIP-INIZCTEOSA-N 443.939 2.371 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC[C@H]1C 1769113927 MCZBCQSJFPSZEZ-AHRSYUTCSA-N 427.505 2.005 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1769386973 FYUUKYWQRGZYBS-DYESRHJHSA-N 427.530 2.074 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1772787708 ANYSWTNAXLVYQI-LBPRGKRZSA-N 440.886 2.309 30 10 IEEE N#Cc1ccccc1N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1851412005 VDBSRNPIONXZCD-UHFFFAOYSA-N 438.553 2.308 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)CO2)nc1 1852617042 CYXMZBITPJLSCS-KRWDZBQOSA-N 431.452 2.367 30 10 IEEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)cc1C 1853017675 CUIZVKIIRWHXCS-UHFFFAOYSA-N 445.527 2.438 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)c3cc(Cl)ccn3)C2)C1 1857477384 JXBIKUPLLGMHKN-AWEZNQCLSA-N 425.876 2.144 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(F)c1 1862749048 PDRODCJSZPGJNB-GOSISDBHSA-N 427.388 2.448 30 10 IEEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCN(C)C)CC1 1870349664 XSNMWJDKWSESPP-UHFFFAOYSA-N 437.588 2.388 30 10 IEEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870508460 UYAWTGPZVPFANG-UHFFFAOYSA-N 425.529 2.028 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588213 VRZYJICMNPWRBJ-UHFFFAOYSA-N 427.516 2.260 30 10 IEEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 1874279471 BZFYMHNYDICAOY-FVUPAENESA-N 433.534 2.073 30 10 IEEE O=[N+]([O-])c1cccc(Oc2ccc(S(=O)(=O)NCC#CCN3CCOCC3)cc2)c1 1891195624 QTSBNXJKKDGOOA-UHFFFAOYSA-N 431.470 2.001 30 10 IEEE C#CCOC1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)C1 1892066657 NKZMREMFAKKXAE-FQEVSTJZSA-N 432.929 2.090 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2247822917 JWUVQURQJQHUNT-UHFFFAOYSA-N 441.359 2.279 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)cs2)OC1(C)C 2247861398 KQSXKYPYCDHEJN-KRWDZBQOSA-N 432.273 2.330 30 10 IEEE CCN(CCCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255544780 FJFONLKJUMRMDL-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@H](OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255660461 HUNPUYDXLSQMSE-SFHVURJKSA-N 425.338 2.459 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCNOCc1ccccc1 2255933563 QHTAUUDDEBNFRF-UHFFFAOYSA-N 446.378 2.294 30 10 IEEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267140757 FJFKGFQEURBGNA-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267179826 VTPOPVFGBPEOIB-SFHVURJKSA-N 438.381 2.456 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2267238839 KAQCQHKFDPJHSC-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE CC(C)[C@@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267269041 BGXHGXRCJRKMSI-MRXNPFEDSA-N 448.373 2.445 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267514200 VVDASJJDYGGADA-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267519744 KFWGOLAZBQAGLJ-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267520312 KTJNGMQPLDZCLY-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE Cc1c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527022 AJHCYNNKGKMFHY-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267592900 HNCXRNAXMFBUNJ-SFHVURJKSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267609440 QFFFXQZSTZEWDZ-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CCO1 2267730253 WZRUKOWSOUPRMB-HNNXBMFYSA-N 448.325 2.362 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267871339 OIVWGIXCUDFYAV-GJZGRUSLSA-N 446.357 2.009 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268640846 JWODRNSUQDEBQO-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)nc2)OC1(C)C 2282026487 ZJQSZNVRTFYMDY-CEWLAPEOSA-N 448.376 2.416 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC[C@@H]3CCCO3)C(=O)[C@@]12C 2297591230 LUQKZWLXWNRWMZ-NPMABZOXSA-N 427.453 2.337 30 10 IEEE CCC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2315603478 CNXNJUBWCJMQJW-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE NN[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1cc(I)ccc1Br 2341638714 XUBHEVVEWVEVQB-ZKCLLBTKSA-N 433.087 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@](NCCC#CBr)(C(=O)O)C[C@@]12CCCOC2 2349198468 JBVZFMKKLUZGAK-MSOLQXFVSA-N 431.327 2.335 30 10 IEEE CC1(C)OB(c2ccc(CN3C[C@H]4C[C@H]3CS4(=O)=O)cc2Br)OC1(C)C 2377420335 PYFJZSPJNLHEKF-UONOGXRCSA-N 442.184 2.120 30 10 IEEE Cc1ccc(C)c(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59887908 RLZDWDOMPOEIAN-UFFVCSGVSA-N 442.549 2.404 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@@H]1c1ccccn1 72461208 QQDVRSDTDFERHX-KDOFPFPSSA-N 444.451 2.162 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCO)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 102706842 OFPOLQKZYPIAOS-HQMFNGAOSA-N 443.452 2.135 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2cccc(F)c2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103123974 RHDCMFAMVLFTLG-LYHOESIGSA-N 430.388 2.165 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCc2c(C)nn(CCC#N)c2C)c1 105893458 SFOSRVMPKUQDEA-UHFFFAOYSA-N 431.562 2.058 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)n(Cc2ccco2)c1C 106879495 URXWETMWMBGTGK-OAQYLSRUSA-N 431.496 2.469 30 10 IEEE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nnc(SCC(N)=O)[nH]1 253566729 JHUBZSCBMJYRJV-WSDLNYQXSA-N 439.549 2.313 30 10 IEEE C=C1C(=O)[C@@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O 257803707 ZVPVWNQCJBMJLV-BZLPHGNTSA-N 434.529 2.325 30 10 IEEE biogenic COCCN(Cc1scnc1C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426368004 ZVOCJLDJKIBSTR-GOSISDBHSA-N 427.530 2.282 30 10 IEEE CN1CC[C@@]2(CCN(CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)C2)C1 429031604 VJBYHAHJWGUSNL-MHECFPHRSA-N 425.577 2.384 30 10 IEEE COc1c(F)cc(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1S(N)(=O)=O 436360042 FOOHFNKVGDEFCT-SJLPKXTDSA-N 431.489 2.323 30 10 IEEE C=CCn1c(SCC(=O)N2CCn3c(O)nnc3C2)nnc1-c1ccc(Cl)cc1 438457087 HNYAGYLJLVYWLS-UHFFFAOYSA-N 431.909 2.216 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)ccc1OC(F)(F)F 443150057 ZRLOBBCBMJTYLB-UHFFFAOYSA-N 438.406 2.256 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 445247308 GTHBOEGLANGMEL-UHFFFAOYSA-N 436.350 2.249 30 10 IEEE CCOC(=O)c1nnc(SCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)s1 447328127 YMZUCRXETYMIFO-LBPRGKRZSA-N 437.572 2.277 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@@H](C)C1 461846573 BSKHKJUZCGERJE-UWJYYQICSA-N 438.532 2.355 30 10 IEEE N#C[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccc(Br)cc1 499388595 CQYFUKGOFWRZRZ-MRXNPFEDSA-N 440.305 2.484 30 10 IEEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(c2ccccc2)C1=O 505522462 USUZGFLQFLMOBT-PMACEKPBSA-N 445.479 2.027 30 10 IEEE Cc1cc(-c2nnc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2C)c(C)o1 508441742 LXKUAYNQBPBOCD-UHFFFAOYSA-N 426.502 2.075 30 10 IEEE Cc1ccccc1CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 508679364 GTWTYWLRAIXTPL-UHFFFAOYSA-N 430.512 2.466 30 10 IEEE C=CCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508880980 NZMNEWKYAZQMOL-UHFFFAOYSA-N 428.562 2.435 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508883941 DKOPEXYHYRHYNS-UHFFFAOYSA-N 449.540 2.128 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc1 509500534 OVNJNPGMUQFCOB-GOSISDBHSA-N 442.541 2.345 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)CC1 532740271 HYVOZKRSMMRNII-QFIPXVFZSA-N 428.577 2.059 30 10 IEEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1c(C)noc1C 536039151 NUMORKIKTIMGMV-KRWDZBQOSA-N 431.518 2.330 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CCS1(=O)=O 550038035 MCOODJXIUMOIRI-SFHVURJKSA-N 429.546 2.399 30 10 IEEE COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)ccc1C#N 569515929 ZPOWIRIYNBKWDZ-QGZVFWFLSA-N 431.489 2.423 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(F)c1 584547498 CNPYRABWZOUEJL-IAGOWNOFSA-N 429.473 2.036 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2c(C)cc(Br)cc2OC)CC1 588767801 IBGKPJLOILOILS-UHFFFAOYSA-N 425.327 2.218 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCCO1 590914135 JCNVCNBFGVYREZ-MRXNPFEDSA-N 445.972 2.017 30 10 IEEE Cc1cc(C)c(S(=O)(=O)NCc2ccc(C#N)cc2F)c(C)c1NS(C)(=O)=O 609233162 AGCUHGNMSSPNDW-UHFFFAOYSA-N 425.507 2.473 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(OCCCO)CC1 610714775 RDMWBSFGWULZMX-UHFFFAOYSA-N 441.322 2.488 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n1 726877325 GYPCZPKXULBRRJ-PIGZYNQJSA-N 436.588 2.193 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)cc1 728831650 WCZCNHCRKVNDPM-OAQYLSRUSA-N 435.459 2.187 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC(F)(F)F)C1=O 730140212 UYWCDHCSIYGUBG-CQSZACIVSA-N 427.452 2.120 30 10 IEEE COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 741710817 AQOASYRVVMANOK-UGKGYDQZSA-N 427.526 2.360 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(N4CCOC4=O)cc3)cc2C1=O 741825374 HDGVZACUOYHDOO-UHFFFAOYSA-N 434.404 2.465 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 742091178 PEHDIJADNSHRAM-LIRRHRJNSA-N 445.589 2.382 30 10 IEEE COc1c(O)cccc1/C=C1/CN(S(C)(=O)=O)C/C(=C/c2cccc(O)c2OC)C1=O 747439937 KZKMTKNHAOQLHN-APGQMXJTSA-N 445.493 2.426 30 10 IEEE Cc1nccn1-c1ccc([C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 754876532 DPQKUSBAZICLFN-HNNXBMFYSA-N 437.525 2.487 30 10 IEEE CC(C)[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1nnc2ccccn12 758448150 GGUMKXVXYQUJIN-INMHGKMJSA-N 427.509 2.485 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)ccc1F 769276323 NIJBIDXGOACFCR-GOSISDBHSA-N 439.553 2.007 30 10 IEEE N#CCc1ccc(NC(=O)COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)cc1 780254254 BUYFCCRRLGSXBQ-HSZRJFAPSA-N 437.452 2.320 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=S)Nc4ccccc4C#N)CC3)C2=O)n(C)n1 780764254 BZXTWFLNYRGYFV-LJQANCHMSA-N 437.573 2.110 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CCCn2ccnn2)C1=O 784118569 PAWKWYKRKOQOBL-CQSZACIVSA-N 440.451 2.455 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n1 788882967 GEUDAZAUYBCOAN-UHFFFAOYSA-N 427.524 2.478 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(F)cccc2OC(F)(F)F)c(=O)n1C[C@H]1CCCO1 790112739 NRJOJUUHXOLADY-GFCCVEGCSA-N 439.390 2.153 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 804453286 CZYQHUBSYRTUFP-QFIPXVFZSA-N 439.581 2.198 30 10 IEEE C#CCN=c1nc(N2CCC[C@]3(CCCOC3)C2)[nH]c(N2CCC[C@]3(CCCOC3)C2)n1 804532201 QFTXLGFTZRKPQA-ZEQRLZLVSA-N 440.592 2.133 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 808465314 XAXSVUUAFZWVSX-HSZRJFAPSA-N 438.459 2.140 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@](C)(CO)c2cccc(O)c2)cc1 808820131 VQLOJXKKSDHDNI-QBHDBVHESA-N 446.529 2.234 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(C)(F)F)C1=O 814709647 DYPQROTZLOWWPV-HNNXBMFYSA-N 442.488 2.070 30 10 IEEE CN1CC[C@@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[C@@H](c2cnn(C)c2)C1 849516618 JAYGOIZPHHIDKN-IFMALSPDSA-N 443.555 2.224 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCc1ccccc1CN1CCCC1=O 919078373 WIVKBKURRKNHHZ-KRWDZBQOSA-N 435.480 2.308 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)n[nH]2)cn1 1083931559 RBZVFYUFRAEIKK-UHFFFAOYSA-N 442.505 2.381 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3cc(OC)ccc3O)n2N)c1 1084159504 YLFYZKMMSZQAME-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N(CCC#N)CCN1CCOCC1 1136457762 CKPDGQVZIDIYMF-HXUWFJFHSA-N 428.533 2.108 30 10 IEEE C#C[C@@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccc(Cl)cc1F 1140478061 LZUPYLYBCMADBP-QGZVFWFLSA-N 443.866 2.004 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C(=O)OCC 1153510110 NPGKMVGZSLUASK-KRWDZBQOSA-N 433.530 2.349 30 10 IEEE C=CC[C@@]1(C(=O)NCc2nnc3ccc(N(C)C)nn23)CCCN1C(=O)OC(C)(C)C 1156828852 UPWNDBQSBLRGHR-NRFANRHFSA-N 429.525 2.152 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)ccc1OC 1265124807 AWHABCFUWWEAHE-AEFFLSMTSA-N 425.489 2.169 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1286299541 WTKBUIUXDSGJFV-MJGOQNOKSA-N 438.557 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286303845 KHAXQKKCLKMXEN-AWZKZOKMSA-N 448.527 2.056 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286355036 XNJADHXZMKVUCF-UHFFFAOYSA-N 432.576 2.350 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286388267 MSXJOKYQWAPNBS-IEBWSBKVSA-N 445.589 2.205 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286394213 NXKKSRDTTULEON-ICSRJNTNSA-N 446.548 2.181 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286481218 SZKQXPPETMQEEF-NZQKXSOJSA-N 427.524 2.322 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1286514175 AXOLRNPARDMVEM-DLBZAZTESA-N 445.593 2.325 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1286633776 LSWFWDRMKJTMPU-UHFFFAOYSA-N 438.458 2.494 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1286701351 YAAXQNNBLBHWFP-FQEVSTJZSA-N 445.589 2.181 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1286722327 USRQLGRCXCAAFJ-UHFFFAOYSA-N 426.546 2.401 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCO[C@H]1C 1287216716 HRVVLRWPZUNDLB-AOMKIAJQSA-N 428.512 2.279 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(C#N)c1 1288272029 FEEVDZQTMQDGEO-LJQANCHMSA-N 446.577 2.356 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC[S@@](=O)C(C)(C)C)CCOC1 1288304465 FLFRQDCQNGFNLO-FHFCDEBKSA-N 441.573 2.308 30 10 IEEE C[C@@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291308312 LNXXTDOETFBFKX-MRXNPFEDSA-N 439.564 2.122 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1296390453 AFFINKZNZSAJKC-QRWLVFNGSA-N 430.488 2.338 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1297823369 MNEOSTKVXKSKJM-FFIBVDMFSA-N 443.573 2.095 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1300309519 HODMDEAFBDXRGH-YLJYHZDGSA-N 425.533 2.359 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1300612318 YOTDCHARMFFABP-QHCPKHFHSA-N 436.585 2.484 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1300771744 DSHDINYPWRPXNV-HXUWFJFHSA-N 436.520 2.105 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NC(C)C)CC1 1301119974 CKSHHJSHPKJWJS-UHFFFAOYSA-N 435.532 2.119 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301209489 WGIMXAMVCKDUHE-CQSZACIVSA-N 449.342 2.365 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1301278189 HDCFSTUVJWJVMJ-MRXNPFEDSA-N 426.546 2.430 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1301492765 NGLHBFCVKHAERH-INIZCTEOSA-N 435.536 2.095 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)C[C@H]1CCCO1 1301578400 ZTYXWHGZBZUHOH-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1301588190 CSGZJLACSSTYDB-UHFFFAOYSA-N 433.578 2.203 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1301952203 IAWBMMVRYXOHAY-OAHLLOKOSA-N 442.524 2.388 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC(Cc2ccccc2Br)C1)c1cc[nH]n1 1302024559 DYHRBSYVLQLLRK-UHFFFAOYSA-N 449.305 2.157 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1315825428 PDDCDEXFQRIDGH-JAQBAERBSA-N 429.496 2.310 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ncn(-c2ccccc2)n1 1316164986 JVVMVEZYUFTZFD-KRWDZBQOSA-N 436.520 2.371 30 10 IEEE COCCOCc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316254371 YYXHHKOIEOXCQB-QFIPXVFZSA-N 448.527 2.204 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCC2)CCN1S(C)(=O)=O 1316497066 PYQIWSOMHFOJRO-INIZCTEOSA-N 428.562 2.477 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1352021142 PEZKMLPOLUGRAP-WIYYLYMNSA-N 435.480 2.414 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccccc1 1354091915 OKWCHMWSHMXGSB-NRFANRHFSA-N 441.576 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1358871157 AMOCNMCKVKLSBR-OLZOCXBDSA-N 427.933 2.381 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1358886652 IMBMXVMGBFAKAG-DZGCQCFKSA-N 436.438 2.266 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1358918679 CPFMIQYXMHBHLY-MRXNPFEDSA-N 431.562 2.431 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1358940059 MWHGPWCRJMHAOW-GOSISDBHSA-N 437.342 2.047 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1-n1cccn1 1358941727 VMVKTTNRJNEFQX-UHFFFAOYSA-N 447.524 2.047 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(=O)NCC)CCC1 1358979643 SVOLJNUPUGAGFE-HXUWFJFHSA-N 433.512 2.170 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccccc1F 1359024658 SBCCQOPTVDSPPE-LJQANCHMSA-N 429.496 2.175 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1359265918 OSHUFDNDNHGRLM-ICSRJNTNSA-N 438.580 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCOCC1 1359334783 QTQXRFSSGWDUIQ-UHFFFAOYSA-N 429.546 2.178 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1454353948 JFGWHFVLGLLUAL-HNNXBMFYSA-N 447.469 2.172 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)CSc3ccc(C#N)cc3)nn2)C1 1462662153 MVPWBUOWIVDLMX-UHFFFAOYSA-N 428.518 2.350 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C)c1ccc(Br)cc1 1470663087 KNGLVQLLKRIEOL-CZUORRHYSA-N 428.352 2.189 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N(c1ccc(C)c(C)c1)[C@H]1C=CS(=O)(=O)C1 1473620165 AHTYQKOUWVYRMK-FQEVSTJZSA-N 446.569 2.224 30 10 IEEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1505017581 OGCRVVXUPXXQID-FQEVSTJZSA-N 445.483 2.014 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1507560137 CANAZDDKEIWDGD-SFHVURJKSA-N 437.548 2.153 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1507588919 SDLCVWTWIYJYSI-QFBILLFUSA-N 432.521 2.311 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@@](=O)C(C)(C)C 1507709013 PYOALENPMINRIJ-WJOKGBTCSA-N 446.573 2.350 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccc(C2OCCO2)c1 1507711998 OORFDAANTQTQCQ-UHFFFAOYSA-N 433.512 2.444 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507748119 MNVWVPRVTVCEOW-UHFFFAOYSA-N 447.630 2.386 30 10 IEEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507950725 XVNWGBKDYWSOQV-UHFFFAOYSA-N 442.539 2.147 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508080972 HLZYMODWNALCKO-INIZCTEOSA-N 443.552 2.031 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1508090851 PTYFQHUIXNEEEK-ICSRJNTNSA-N 441.532 2.061 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(SC)CCN(C)CC2)C1 1508115464 AGOKFACVJSYUGP-SFHVURJKSA-N 431.610 2.287 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)[C@@H](C)C1 1508144758 UFFLJJXGEQHGMF-CALCHBBNSA-N 428.562 2.210 30 10 IEEE CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1509423695 ORVGOLWWSPIFTQ-KRWDZBQOSA-N 433.516 2.470 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1509947624 BMQXQOFWEKLVKU-FUHWJXTLSA-N 444.561 2.279 30 10 IEEE Cc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1511939150 DCBZATNCHFBBMN-CQSZACIVSA-N 446.309 2.428 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)C1CCCCC1 1513925979 ZDBDUSVYVUENFJ-SFHVURJKSA-N 437.596 2.482 30 10 IEEE CCCN(CC)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514697631 BQGHPPGHYPYXBR-INIZCTEOSA-N 425.537 2.049 30 10 IEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1516357872 HLWDWMFZHKGHMA-SFHVURJKSA-N 431.500 2.360 30 10 IEEE COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1518271852 DDEAECQTMOMOCU-INIZCTEOSA-N 436.472 2.143 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)c(C(=O)OC)n2)ccc1F 1528186699 RZKWQNZVPKJJJB-UHFFFAOYSA-N 441.868 2.055 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)c1 1534106639 XJFMFBLZTIAHPK-DABWLCNRSA-N 442.497 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)/C=C/c2ccccc2C#N)C1 1534590719 UUZNJWXDJMTLOK-GFOMBABLSA-N 433.530 2.112 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 1536289631 GUHQYQDCXAAXPG-UHFFFAOYSA-N 425.510 2.161 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCCCc3ccccc32)ccc1F 1538780496 IUXNMMMYAQWWGE-UHFFFAOYSA-N 445.516 2.389 30 10 IEEE C#CCCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1539140122 MADBXSSDEDUVAR-HSZRJFAPSA-N 441.507 2.336 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C1CCN(c3oc(C)nc3C#N)CC1)CCS2 1539152675 QEVAFJVDGOQJAZ-ZGOJQLDESA-N 432.546 2.405 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1c[nH]c2cc(F)ccc12)[C@H]1CCS(=O)(=O)C1 1539218573 APICLFGLZUZHFI-KRWDZBQOSA-N 429.521 2.330 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539220715 UXWMMMGFSPSRNI-OAQYLSRUSA-N 443.617 2.235 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccc2ccccc21 1539267181 XIBLKMUFTNMSOW-HXUWFJFHSA-N 435.553 2.298 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1539392616 SDOVPYWEFQCVLE-HTAPYJJXSA-N 446.548 2.120 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2([S@@](C)=O)CCC2)n1 1539422719 IUKCQZHPAJCSQM-WJOKGBTCSA-N 446.621 2.360 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC=CO2)CC1 1539434359 JEGOLTSHNYFSCS-KRWDZBQOSA-N 445.365 2.494 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C2CC2)N(C)C)CC1 1539484376 MWOCQLCSXMZATA-HSZRJFAPSA-N 448.615 2.369 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539636859 MFFOGTIWPLAEQE-ZVDOUQERSA-N 445.589 2.259 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1539682300 ZVOGLHLRDKVIPG-UHFFFAOYSA-N 431.562 2.435 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCS(=O)(=O)NC)CC1 1539896908 WRYYHBZLLKERTL-UHFFFAOYSA-N 433.578 2.371 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540866167 FFMUKPVBVFEFHE-UKRRQHHQSA-N 437.903 2.280 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)nnc1C(C)(C)C 1540876732 ZDPWCSKNSULOCL-OAHLLOKOSA-N 442.568 2.021 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)C1 1540890483 FRXIICRTTXLKKQ-QZTJIDSGSA-N 429.521 2.414 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@H]1CCOC1 1541363525 BJXWTVXXIIBBIA-IBGZPJMESA-N 425.537 2.190 30 10 IEEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1542796604 ODUGBWUOBLXSGW-LSDHQDQOSA-N 429.484 2.500 30 10 IEEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1545976941 AZUBXMROJJQCNR-NRFANRHFSA-N 434.548 2.297 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1 1546131973 RMOUDQCGXUOZSE-HZPDHXFCSA-N 428.576 2.091 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C#N)o1 1546577659 RHMQCPYOENFFAC-QGZVFWFLSA-N 436.472 2.190 30 10 IEEE CO[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1555177727 LCVGGTNOKNEEHM-OZNQOIHVSA-N 430.553 2.254 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1555795147 MZMKKIFQEUIXJT-OALUTQOASA-N 427.530 2.175 30 10 IEEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CCCCC1 1585161593 KBLXGQSVYVFRMA-UHFFFAOYSA-N 447.601 2.477 30 10 IEEE C#CCSCCNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1586534688 MNRIHVBGMJEBRE-GFCCVEGCSA-N 429.493 2.494 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587620912 MUAIHZANKMODHY-BJLQDIEVSA-N 442.589 2.311 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC(F)F)c1 1588224312 WCVVHMBDUPKGRX-INIZCTEOSA-N 443.454 2.350 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1 1588280166 HMOPEDBIWQVUBT-HKUYNNGSSA-N 445.589 2.206 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2nnc(C(C)(C)C)s2)n1 1588722962 IPUGZKAOFMLFIF-UHFFFAOYSA-N 428.566 2.267 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(=O)NC)c2)CC1 1594409160 SXDFERXZYBSLAA-UHFFFAOYSA-N 436.560 2.405 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1594483804 DHBKPBITOZJSIM-XMMPIXPASA-N 449.559 2.496 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1594807035 BYILPPDHCPWXPF-AUSIDOKSSA-N 425.533 2.228 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1594857480 JYLPVIPSTQPLTO-OAHLLOKOSA-N 446.577 2.297 30 10 IEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1595065609 UTNBGBYKTFYZGK-QGZVFWFLSA-N 427.530 2.318 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 1595530109 SXLQNNJGVPCRNN-UHFFFAOYSA-N 437.529 2.198 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595776823 GCHJIOINJURURZ-MOPGFXCFSA-N 443.573 2.102 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1[C@@H]1C[C@H]1CF 1608563535 KFEZZZLINXXBQC-KBXCAEBGSA-N 429.475 2.284 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(C)(=O)=O 1611756933 BEKGFKVDLQIGEF-KUHUBIRLSA-N 439.488 2.434 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1611815781 NXMPACKYJUFJMX-AOMKIAJQSA-N 439.520 2.081 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1CCS(=O)(=O)CC1 1616980887 NIUDKAHMOUGHLG-UXHICEINSA-N 443.573 2.383 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)CC1 1623669082 JBTBZSMBNDGPQA-OAHLLOKOSA-N 440.301 2.490 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1=O 1624176356 AIXDNQJIPUVOJJ-HSZRJFAPSA-N 432.480 2.147 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc(-n4cncn4)nc3)C2)C1 1625563906 OCCPYYFQHGQGTF-JQHMZKTJSA-N 437.504 2.065 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1627790680 QQWAVWRDLWOIMX-MAUKXSAKSA-N 430.505 2.101 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCCN(C(=O)CSCC#N)C3)[nH]n2)CC1 1630149947 SFPJKCYMEGUPQR-INIZCTEOSA-N 448.593 2.430 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1634497502 DXNDQPDWCYMLAH-ZDUSSCGKSA-N 425.482 2.204 30 10 IEEE Cn1nc(C2CC2)cc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1639195891 NZWQBMVQQCCOEL-UHFFFAOYSA-N 429.546 2.213 30 10 IEEE C[S@@](=O)(=NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(Br)c1 1647899121 ZHYPWTRJWQNFLW-SSVKHQHASA-N 426.292 2.349 30 10 IEEE COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C#N 1649164788 HMNCKHRJMCOGAY-UHFFFAOYSA-N 429.376 2.382 30 10 IEEE N#Cc1cc(C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cnc1C(F)(F)F 1653357143 GBUZMEUAIVNVCF-NSHDSACASA-N 440.179 2.423 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1Cc2ccccc2[C@H]1O 1653530028 OCQZSFRYMGQTRL-WIYYLYMNSA-N 427.526 2.060 30 10 IEEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(CC#N)cc3)cc2)CC1 1663370717 XEOKQQOLGUBMCA-UHFFFAOYSA-N 426.542 2.041 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1682157413 ZAZCWZKUXZTZGK-VQHPVUNQSA-N 433.471 2.225 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1682790334 RTSIXSLXDRAULW-OAHLLOKOSA-N 436.354 2.159 30 10 IEEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1686055646 LXXCUYJOBPGIFR-FQUUOJAGSA-N 448.442 2.128 30 10 IEEE C=C[C@@H](C)ONC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1686939131 FFMICOAGKRLZQU-OCCSQVGLSA-N 432.340 2.408 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)NC)CC1 1689901218 FGVLMUJPGYEMLO-UHFFFAOYSA-N 442.589 2.426 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCCC1 1690055194 PKYKLZMWDPNOIT-UHFFFAOYSA-N 435.528 2.374 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2noc(CC)n2)CC1 1690131018 RDSWCPHXIGRYOP-UHFFFAOYSA-N 449.559 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)COC)CC1 1690139895 DMMZSTIHLUJXKB-OAHLLOKOSA-N 430.940 2.242 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690171054 VSYVRDXLWKYXJM-KRWDZBQOSA-N 426.502 2.067 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(N)=O)c1 1690243652 NRFNFJRQIDWEAP-QUCCMNQESA-N 435.532 2.395 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690254603 DTFSUSLHMFMXKT-UHFFFAOYSA-N 445.568 2.073 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690295707 KEQURZJRUVWZPH-IBGZPJMESA-N 429.496 2.400 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1690419089 HIJLNGBDOMEWDQ-OAHLLOKOSA-N 437.614 2.477 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(c3ncccc3C(N)=O)CC2)cc1 1690679997 FXFDCFRPJDGDFI-UHFFFAOYSA-N 447.543 2.274 30 10 IEEE CCNC(=O)c1cccc(Cn2c(CC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1695930044 AZBLORTXANWDLB-UHFFFAOYSA-N 444.543 2.232 30 10 IEEE CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)CCN(C)CC1 1698368194 GNCNXELUFSDLSC-FQEVSTJZSA-N 446.600 2.409 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCCOC1 1705526335 ISGDEMNJZBYAMD-GOSISDBHSA-N 445.589 2.472 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)cccc1OC 1705599229 WNTDGRXOMXLESL-INIZCTEOSA-N 446.960 2.353 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1705613508 IJNLRBJBSNRUOK-LJQANCHMSA-N 448.612 2.430 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(NC(C)=O)CC2)cc1 1705909991 OCUDGLCZPFZQBZ-UHFFFAOYSA-N 440.548 2.134 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](OC)C1 1705938004 KQQGZKXWDMCKJQ-SFHVURJKSA-N 429.546 2.107 30 10 IEEE CC(C)NC(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@@]1(OC(C)C)CCOC1 1706647947 DFTZJOXWXCNSLT-HSZRJFAPSA-N 440.548 2.351 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1706747225 JTLXMJXHRYHGMC-ANNUQZOISA-N 437.479 2.273 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708603410 FOXODCYLACHMLK-QZTJIDSGSA-N 448.579 2.380 30 10 IEEE CCCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCN(C)C2)cc1OC 1709851814 CJSOZALAJMGURO-UZUQRXQVSA-N 442.564 2.405 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(F)c(F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1710645561 ARVYMYQLRYOGGI-VXPUYCOJSA-N 446.458 2.256 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCSC1 1711045532 DSBNNSNRHKQHMX-IEBWSBKVSA-N 429.546 2.476 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCOc2ncccc2F)CCO1 1712883991 DJFCCESSSUMUER-KRWDZBQOSA-N 426.427 2.350 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722312365 AEPNFMWPCFADDS-UHFFFAOYSA-N 425.581 2.078 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N2CCOCC2)CCSC1 1722346770 AKFALLOISXERHV-FQEVSTJZSA-N 432.981 2.271 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1722361190 FOVWVZOYGQUWOV-IBGZPJMESA-N 438.557 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)N(C)C)c1 1722402651 DRFPPVRTGZRNDJ-VXKWHMMOSA-N 449.555 2.215 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722459479 KVVZZVPFPVSONT-QYWGDWMGSA-N 433.578 2.252 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722462111 YBLHBPBYYQVBDX-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722538382 OYZRJRHFQWNVNZ-HXUWFJFHSA-N 440.548 2.148 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1722712294 PGOBESHNSZTEGZ-RQZFFVEVSA-N 438.557 2.443 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N(C)C[C@H](C)C#N)c1 1729734908 DRVMUNGWHPQJEP-OAHLLOKOSA-N 444.586 2.483 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](OC)C(C)(C)C 1730868703 KNJAIGYSHXEZIU-NEWSRXKRSA-N 434.585 2.240 30 10 IEEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(CC#N)CC2)C1 1731010303 JYHDSJDMVIXXKS-GOSISDBHSA-N 448.618 2.342 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740570066 AMSGZUNXMKCFLH-LJQANCHMSA-N 437.504 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1740652981 VHWMEMVNYLMXDO-UHFFFAOYSA-N 438.557 2.048 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)CCC(C)C)CC1 1740704514 RFNSHIOIZAPLPO-XMMPIXPASA-N 438.576 2.493 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740718799 VTADXUQCAYIRLL-INIZCTEOSA-N 447.634 2.279 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1740856817 XMEJMQNDDHDUDK-NHCUHLMSSA-N 439.560 2.437 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740890929 MIBSQTRUZMOIHF-IXDOHACOSA-N 426.631 2.267 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740961734 XTFDLPNMGUZEIH-GOSISDBHSA-N 444.967 2.129 30 10 IEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1740996623 GAWLISPAPMBOAG-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1741000444 APOQIFKJUOJPJU-LJQANCHMSA-N 442.589 2.484 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC[C@H](O)C1 1741477511 COPCZQWIQRISDR-FHWLQOOXSA-N 438.580 2.404 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccc(C)cc1 1744697732 OXUXMWWXANKGJD-UHFFFAOYSA-N 444.543 2.172 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1745895848 RVBJNWQZCNQUOX-UHFFFAOYSA-N 448.531 2.110 30 10 IEEE CN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747763635 JCHIXQXJPDBOOL-UFOSLELVSA-N 428.518 2.006 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1748730393 LBQZIOWOBUAMBQ-REWPJTCUSA-N 442.564 2.144 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764046 GSWUPDZLEUVLHA-HYBUGGRVSA-N 443.592 2.475 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1748801666 DIWZIARJELPNNY-ROUUACIJSA-N 430.578 2.111 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748805045 NGDJXWINMCILBL-IBGZPJMESA-N 446.573 2.254 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748814899 LDQWXTULLZWXAG-GOSISDBHSA-N 444.557 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1748842549 LZTNEVSZQFQBNU-UHFFFAOYSA-N 427.512 2.001 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1748921101 XUAAKCQOYSBRAY-XTQSDGFTSA-N 443.511 2.423 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1748998852 BYDMBPDGLGNATR-HXUWFJFHSA-N 440.567 2.483 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2cncn2)C1 1749087996 YZHKWNYBUCEZBF-HUUCEWRRSA-N 440.346 2.344 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749230277 WGTFGRJGJAFNGR-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1749251308 BRFBFXSLDCWVKZ-ZDUSSCGKSA-N 442.929 2.228 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1750120796 WUROUHUKDWSBMJ-CNNODRBYSA-N 443.573 2.378 30 10 IEEE CSCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1750337185 MJTYTGVRODEEHE-RXVVDRJESA-N 434.610 2.248 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cn(C3COC3)nn2)c1 1751395259 CEYXLRRYUZWVBO-KRWDZBQOSA-N 436.520 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760198664 MWYOMYOOCDIZDU-LNVKXUELSA-N 428.496 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1Cc1nnnn1CC1CC1 1760210934 XGOINMAGQZXQGI-UHFFFAOYSA-N 432.557 2.396 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@@H]2CCCCO2)CC1 1760270021 RWBLECIVUBYHNW-SFTDATJTSA-N 443.592 2.487 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760359546 QZFHXVSTFPUVNJ-UHFFFAOYSA-N 436.516 2.412 30 10 IEEE C=C(Cl)Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1760386682 GKBBCOGYEGKRHG-FQEVSTJZSA-N 425.961 2.424 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@H](C)C1 1760458619 NKAWELNXWZOSJZ-GOSISDBHSA-N 437.552 2.044 30 10 IEEE CC(=O)Nc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c1 1760631946 GXGASUCAUQYOBI-IBGZPJMESA-N 437.529 2.369 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1760698037 BEOOXVSRGCTLIU-INIZCTEOSA-N 443.577 2.268 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1761283969 SYRDBSWFAVNITO-WMZHIEFXSA-N 446.596 2.169 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc([C@@H](C)O)cc2)CCOC1 1761291499 LJFDILALMVSIDJ-DHJUGAMNSA-N 441.532 2.149 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccc1F 1761493394 HSSXSTNXYFTOMJ-YWZLYKJASA-N 434.541 2.400 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC(C)(C)O1 1761565966 MFOAGSIZYTXKJR-QGZVFWFLSA-N 438.532 2.401 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 1762301326 CPKUHORRESHGBO-XXBNENTESA-N 440.548 2.223 30 10 IEEE CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1765802979 CPLJXDIHEZRAFO-AOIWGVFYSA-N 440.552 2.179 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CCO1 1771537210 JRWDSMIMUNQCIN-IBGZPJMESA-N 426.496 2.043 30 10 IEEE C#Cc1ccc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1772510589 CHTIEXUHHGIBBV-UHFFFAOYSA-N 429.498 2.019 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CCC2 1852045075 YJYGSTBFGPSMRN-GOSISDBHSA-N 431.493 2.216 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1nc(-c2ccccc2)ncc1OC 1852182079 ROPJOBVEASSRQP-QGZVFWFLSA-N 430.530 2.343 30 10 IEEE CCc1ccccc1N1C[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1852747402 FUBVSGBVRFSXFP-NRFANRHFSA-N 447.539 2.234 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cncc(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1854463092 AYXCDEJDNHBYOO-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE C=C1CCCN([C@@H]2CCCN(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)C2=O)CC1 1855163910 WQTBYMRAPKQKFA-ZWKOTPCHSA-N 430.574 2.457 30 10 IEEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3c(F)c(F)c(OC)c(F)c3F)C(=O)C2)C1 1856833018 XGHOIQCDXRNFQG-LBPRGKRZSA-N 429.414 2.186 30 10 IEEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 1860954645 ZQSUJFTZGLGENE-QGZVFWFLSA-N 425.876 2.159 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862599678 FLBXEHXKIYRCDT-LJQANCHMSA-N 442.468 2.255 30 10 IEEE CCOC(=O)CN(C)C(=O)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C 1868782286 GJVFPYIQUZCQAB-FXAWDEMLSA-N 448.589 2.187 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCOCC)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871709644 NXTYIQNQUUIHKE-UHFFFAOYSA-N 426.521 2.247 30 10 IEEE CCn1cc(C(=O)NCCC(=O)Nc2cccc(C#N)c2)c(=O)c2cc3c(cc21)OCO3 1873867050 KJUOYVHMTCAAEE-UHFFFAOYSA-N 432.436 2.380 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1F 1874434093 MWBSCSJDDQCHFL-FOKLQQMPSA-N 432.525 2.477 30 10 IEEE CN(CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ncccc1C#N 1891549558 IWFSKIODESOBEZ-UHFFFAOYSA-N 428.514 2.262 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)CCN1Cc1ccccc1 1914704347 ITQXBBINSHTWPO-YADHBBJMSA-N 436.512 2.466 30 10 IEEE C#CC[C@H](CNC(=O)OC(C)(C)C)Oc1nc(C)nc(I)c1N 1986524655 OEKZKYVLZQLYDH-SNVBAGLBSA-N 432.262 2.267 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@]1(COC)CCCN(C(=O)OC(C)(C)C)C1 2006233364 HWWCPIOPJGDGQO-HNNXBMFYSA-N 427.361 2.231 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CCOCC2)C1 2054333144 FTFREULJBMKKBY-ZDUSSCGKSA-N 439.372 2.231 30 10 IEEE C=CCn1ncc(NCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2175829588 HXLREIPYYIEMOZ-UHFFFAOYSA-N 443.342 2.223 30 10 IEEE N#Cc1cc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1F 2195348268 ISINQECDMOXABS-GOSISDBHSA-N 434.445 2.382 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247906215 MXIKWRFKEAOKKZ-STQMWFEESA-N 435.355 2.276 30 10 IEEE CN1CC[C@](CNC(=O)OC(C)(C)C)(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255343096 RUCGWGLYYYZAOV-JOCHJYFZSA-N 433.358 2.359 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255615244 JPDDLHHPTBONFN-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CCCN(CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2255817271 RTPQYFJYAJERAX-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825681 DEKALBKJRGTNMA-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256638979 AWDLKDZAXYXIOK-QGZVFWFLSA-N 434.342 2.142 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2256674932 NJABYOQZYIKDMB-HNNXBMFYSA-N 434.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]21 2267098531 AIMROFKGSIKNHD-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE Cn1nc(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267121525 YPLOQFQBRZYXNR-LJQANCHMSA-N 438.381 2.361 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139207 CSPCWUUCUGYGCG-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267140682 SFEQZFJGOXODOZ-UHFFFAOYSA-N 446.357 2.086 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2267179121 LRLTUHMCMBCIJZ-OALUTQOASA-N 436.365 2.066 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267189725 DZOFWQXORHQCMQ-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267271156 QOMWLYOTFIVVIY-UHFFFAOYSA-N 446.353 2.134 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)ccc2F)OC1(C)C 2267452159 CJGYUVDCJANOFJ-IBGZPJMESA-N 444.234 2.408 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267496354 AIBCYTVFANPIKM-IEBWSBKVSA-N 438.381 2.453 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)n1 2267523747 GRPSHUGWBNOXKG-UHFFFAOYSA-N 448.373 2.235 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2269712577 DMYDFIZFEFEWOK-UHFFFAOYSA-N 443.353 2.382 30 10 IEEE CC#CCN(CC(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300541832 JTKIDSOPMMAGFA-JOCHJYFZSA-N 439.553 2.125 30 10 IEEE COC[C@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304805184 OMMKMHATSCIBAF-ZDUSSCGKSA-N 426.294 2.438 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2312850005 KAPROHVSIUAANK-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OCCC)c1 2330742690 WOVHTJARYBYTKB-UHFFFAOYSA-N 432.550 2.204 30 10 IEEE C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295069 LTAFWRLYKXZXBA-AWEZNQCLSA-N 434.468 2.170 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccc3O)n2N)c1 59829709 RPAPNXJUQGBKOW-WSDLNYQXSA-N 427.490 2.273 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 410020905 MUIHPJIWKYDZTC-WBVHZDCISA-N 433.559 2.445 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccccc2C#N)c1=O 440373836 JLXFNAKGACECKX-UHFFFAOYSA-N 444.516 2.234 30 10 IEEE Cn1ccnc(N2CCN(c3c(C#N)cnc4c(Br)cccc34)CC2)c1=O 440665329 FUYJGHWMAWDKCR-UHFFFAOYSA-N 425.290 2.289 30 10 IEEE C[S@](=O)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 446194135 ADHUIVWAIQUJJU-ATXQNCFNSA-N 426.498 2.136 30 10 IEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CCOC)C(=O)C1 460956777 CMKSKIUSBJSSDN-IBGZPJMESA-N 427.505 2.052 30 10 IEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCOC1 461092539 WRYKPOQBIMMWTC-QUCCMNQESA-N 427.505 2.149 30 10 IEEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481055045 HLHOLACIIXETFR-UHFFFAOYSA-N 431.489 2.384 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(N)=O)ccc3OCC(F)F)cc2C1=O 484983231 BBTGKJHBVWTHOB-UHFFFAOYSA-N 429.379 2.464 30 10 IEEE C[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)S(N)(=O)=O 496351733 XCLYNEOYWLNZDA-SECBINFHSA-N 447.464 2.423 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2C)nn1 508107232 SRRRRUDBJCDWCE-IBGZPJMESA-N 445.483 2.167 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cn1 516519156 VMHKZPRTKNCFTC-UHFFFAOYSA-N 432.465 2.209 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 520929255 SWCIGTNHQGLGAB-HSZRJFAPSA-N 426.561 2.364 30 10 IEEE N#Cc1cccnc1N1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 532757584 BGVFTAAYKJYXFB-UHFFFAOYSA-N 425.290 2.046 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3CN3CCC[C@@H]3CO)cc2C1=O 543025905 BKWMHOCJGVNOOR-HXUWFJFHSA-N 433.508 2.355 30 10 IEEE C=CCNC(=O)c1cccc(-c2noc(CCNS(=O)(=O)c3ccc(C)cc3)n2)c1 547066223 KUPPLORSVMISPU-UHFFFAOYSA-N 426.498 2.482 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(CCc3ccco3)n2C[C@H]2CCOC2)CC1 550049904 RVPJREQEXANNCC-GOSISDBHSA-N 433.516 2.286 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CC1 553102664 ZONOERURSDRTAT-WOJBJXKFSA-N 437.569 2.020 30 10 IEEE C=CCCCNC(=O)C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 564112351 BYRAVQCIJHWNCE-UHFFFAOYSA-N 426.517 2.140 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 576363931 IJGVRLLFMMOELX-QGZVFWFLSA-N 439.969 2.477 30 10 IEEE Cc1nsc(N2CCN(C(=O)CSCC(=O)Nc3ccc(F)cc3)CC2)c1C#N 580503548 MXXQFLSEKFTNJP-UHFFFAOYSA-N 433.534 2.483 30 10 IEEE N#Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 586053735 KBEUGXZUIDHLDS-IBGZPJMESA-N 444.491 2.355 30 10 IEEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C1 603955977 NHKKXAAEXTVNOD-HZPDHXFCSA-N 438.981 2.022 30 10 IEEE CC(C)n1cc([C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 609572376 XJFPFXLKRYZRQH-INIZCTEOSA-N 430.534 2.113 30 10 IEEE COCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C[C@@H]1CCCO1 619850430 HQLYEKSIEGCWGH-SFHVURJKSA-N 433.516 2.350 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)C(=O)O 757361044 NYSMHEOTWDCSIB-YKSBVNFPSA-N 438.480 2.422 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(OCC(=O)O)C1 757547948 BLGWGDQLFHSEIV-JOCHJYFZSA-N 448.475 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 777205906 SAFABLWBFFJBGZ-SFHVURJKSA-N 429.473 2.233 30 10 IEEE C[C@@H]1CCC[C@@H]1CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 798362153 CEXSYFMBMMTUFJ-MBOJQXJISA-N 445.633 2.428 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 811489989 JSKIHOKBBGWCKZ-QZMQVMSPSA-N 436.508 2.424 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCCc1cnn(C)n1 814702034 KIOIRVMAKIMEPD-GOSISDBHSA-N 426.546 2.357 30 10 IEEE CC(C)N(C)Cc1cc(O[C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)ccn1 856605020 VJRULBLCDHUUBD-NRFANRHFSA-N 443.573 2.115 30 10 IEEE Cc1ccc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)n1 919542514 RAIFDRPVDYWFHM-UHFFFAOYSA-N 435.440 2.324 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1135836730 UWVRWZLXIZNBTJ-GBXCKJPGSA-N 442.560 2.353 30 10 IEEE Cc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)cc1S(=O)(=O)NCC#N 1144540351 OFWARNMDQGISHV-UHFFFAOYSA-N 444.561 2.133 30 10 IEEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)n1ncc(C#N)c1N 1149424551 GQWSRVBVXCCUEY-LBPRGKRZSA-N 425.308 2.033 30 10 IEEE Cn1cc(CNC(=O)c2c[nH]nc2I)c(-c2ccc(C#N)cc2)n1 1154063753 YLKUOXRJESDWIW-UHFFFAOYSA-N 432.225 2.216 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1161759867 NXFWEOPVNXBCJM-DOMZBBRYSA-N 436.452 2.386 30 10 IEEE Nc1nc(NCc2nnc3n2CC[C@H](C(F)(F)F)C3)nc(C(F)(F)C(F)(F)F)n1 1164131107 IMWLCGUYYAGVFT-YFKPBYRVSA-N 432.279 2.436 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1169292778 PUHXBHWJNAUGLV-WMZHIEFXSA-N 433.508 2.045 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2cnccn2)C1 1178840771 JXIFNXBKAPRGSF-RDJZCZTQSA-N 427.530 2.090 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2csc(-c3cnccn3)n2)c(=O)c1C#N 1183324356 HCXJMLMSMNGHNB-UHFFFAOYSA-N 431.275 2.397 30 10 IEEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1183836507 OZFKXNOHEJTMPC-GOSISDBHSA-N 433.574 2.039 30 10 IEEE N#Cc1ccc(Cn2cc(I)c(O)nc2=O)c(Br)c1 1189348340 NYMUTNDCAUPAPO-UHFFFAOYSA-N 432.015 2.236 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(Br)cc2F)c1=O 1189868839 FJCWLIHLBQVPDG-UHFFFAOYSA-N 438.253 2.173 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1286339097 SNHPIZUGQBYENZ-JOCHJYFZSA-N 443.935 2.271 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CN2CCOCC2)c1 1286359238 ULNWDHWKCJTJFX-UHFFFAOYSA-N 438.576 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(OCC)CCCC1 1286402490 DFPZNGLZSXIZBI-UHFFFAOYSA-N 430.516 2.343 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286443458 HOBPYAHWFHRASV-DLBZAZTESA-N 442.564 2.478 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CCCS2)CC1 1286483977 BRYCEMLDMMJLKQ-OAQYLSRUSA-N 444.630 2.311 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOCC 1286505078 VBRGMTKTLCAEBI-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1286683248 MYAIBCMXHFLXEF-MRXNPFEDSA-N 435.598 2.362 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286721847 JRWNVZHRYWZILU-BPQIPLTHSA-N 443.552 2.325 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2F)nnc1[C@]1(OC(C)C)CCOC1 1286793620 ZOIAVKLLWSSCDW-QFIPXVFZSA-N 431.512 2.396 30 10 IEEE C=CC[C@]1(C(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)CCCN1C(=O)OC(C)(C)C 1295119963 VRZNBCJHCJXJQU-DYESRHJHSA-N 437.541 2.022 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1296227832 CBLVCNJKFDTTGV-UHFFFAOYSA-N 432.532 2.448 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1300403428 LEWGHRUIGMNVQD-JKSUJKDBSA-N 426.487 2.353 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1300502842 YNESSCJSZJRAOS-IBGZPJMESA-N 428.558 2.304 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC1(S(C)(=O)=O)CC1 1300648790 PCWDJUSJANDIOO-KRWDZBQOSA-N 432.521 2.138 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1nnc(C)s1 1300665247 JTSHNOJEKCGDCZ-UHFFFAOYSA-N 426.502 2.162 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(N(C)C)nc1 1300665741 PCYWIALROVAQHU-UHFFFAOYSA-N 434.500 2.269 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300746077 ODGHCNAXZGUGSA-LJQANCHMSA-N 441.601 2.479 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnccn2)CC1 1300754448 QNRMHGLMOOYCGM-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C=C(C)COCCn1c(N2CCN(c3nccn4cnnc34)[C@H](C)C2)nnc1C(C)(C)C 1301001139 CTMJRHWVPUVYPB-QGZVFWFLSA-N 439.568 2.321 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1301105667 LMQAUTVZPJYDCW-SZMVWBNQSA-N 425.599 2.352 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301403919 MTCSAUDVIXHBQY-SFHVURJKSA-N 433.553 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccsc1 1301586034 PMPJTLGTYQQJIL-HZPDHXFCSA-N 435.575 2.233 30 10 IEEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CCO1 1303009083 DQIBUQYLPFNLMD-HZPDHXFCSA-N 435.937 2.368 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCCCO)CCN1C1CC1 1303010267 SNBKTWFZCJKEFH-IBGZPJMESA-N 428.512 2.335 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCN1CC(F)(F)F 1305148975 LPGLMLILKHXJEY-WMLDXEAASA-N 447.465 2.168 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1306450229 FGBJXJXYDAQPEE-XMSQKQJNSA-N 427.505 2.149 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312469887 RVMNQCBHZKINIY-FPCVCCKLSA-N 437.541 2.348 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1314681681 FCVBNRWTCJBANC-OAHLLOKOSA-N 443.451 2.367 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)C1CCC1 1314740851 DCUWYPRINGNMIS-LJQANCHMSA-N 435.532 2.044 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C#N)o1 1314945103 HADVETISGWWNKV-AWEZNQCLSA-N 438.488 2.294 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358959877 RHCMIUHDZOWGHM-MRXNPFEDSA-N 429.477 2.056 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358966748 VYMZKKXUJSRBFP-IBGZPJMESA-N 444.605 2.347 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)cc1 1358994487 OOHXEXAZVHFWAU-IBGZPJMESA-N 426.542 2.090 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CC(F)(F)CO2)n1 1359027895 ZNTKDWZDIOCION-QGZVFWFLSA-N 445.474 2.180 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1359643210 SKKNSLMPACZDDD-UHFFFAOYSA-N 435.488 2.052 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1359893844 OZOVAUMQADMDOF-CABCVRRESA-N 442.607 2.050 30 10 IEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1360409428 HIQPYSAQNBOXJC-LJQANCHMSA-N 425.581 2.314 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(C(=O)OC)n2C)cc1 1457219925 URYQYZHMOIQZDT-IBGZPJMESA-N 443.525 2.091 30 10 IEEE N#Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)ccc1Br 1461102648 BSJZINMFUNDVMD-NSHDSACASA-N 443.257 2.479 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)c1 1467245311 PWIIYIQUOBTFOZ-UHFFFAOYSA-N 434.464 2.472 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)cc1 1471440896 VFKUBKWADKZYQK-AWEZNQCLSA-N 449.326 2.094 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(c3cc(C#N)nc(C4CC4)n3)CC2)cc1 1472798574 PHPDXCPRJMUVSQ-UHFFFAOYSA-N 431.543 2.211 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)cc1 1475974427 UXYSGOJDQYGULM-KRWDZBQOSA-N 448.467 2.025 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2ccccc2COCc2ccccc2)c(=O)nc1O 1477255967 GHKAJVQHFSCOPR-UHFFFAOYSA-N 433.468 2.037 30 10 IEEE CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1478686495 BEHRIVAEFRUYGI-FQEVSTJZSA-N 447.605 2.085 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3cc(Cl)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1478832628 CDCWYMFOJYMASW-NHYWBVRUSA-N 432.727 2.182 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cc1OC 1502803589 ASORCUUAVFVJKG-UZQPLGKSSA-N 445.495 2.334 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1503463756 GLUCAKSBBDYHKT-RTBURBONSA-N 444.561 2.062 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1503850231 FMWSENXDIMVLLG-AZUAARDMSA-N 437.500 2.463 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1503863775 QJZCGPVIZSPUSN-LJQANCHMSA-N 436.516 2.122 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCOC1CCOCC1 1505066153 PDSXGXCGVBZWGG-ICSRJNTNSA-N 433.553 2.328 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CCSCCCO)c1 1505318364 WFMUURAOORDDEH-UHFFFAOYSA-N 443.573 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1507515193 GKMQRJFIVNIQOP-CVEARBPZSA-N 428.562 2.379 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1507564841 XTQARFVLJKTFFF-FQEVSTJZSA-N 436.560 2.346 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507638986 UECCNBRMFSHURN-XUVXKRRUSA-N 449.621 2.021 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCOc2ccc(OC)cc2)CC1 1507732363 UTBFUHYAWLGZBB-LJQANCHMSA-N 425.533 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN2CC)CC1 1507738825 ZVDYKQWXIAOVMM-FQEVSTJZSA-N 435.576 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOCC)CC1 1508073795 PGAFOOGNKMQSPE-UHFFFAOYSA-N 432.956 2.059 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2COCCO2)C1 1508117042 STTZTMWEPLAHDP-LSDHHAIUSA-N 438.326 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(=O)NCC)cc2)C1 1508117743 NYFLFDUQPGWALY-HXUWFJFHSA-N 435.532 2.258 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1508424382 PDLGZYVSMBCJCP-IWHJNQCMSA-N 425.518 2.053 30 10 IEEE CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1 1512339647 XKKQSJMPQGQORJ-RTBURBONSA-N 436.626 2.431 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCCCCO)cn1 1517376654 SRVSWQAFPAONNF-UHFFFAOYSA-N 438.511 2.179 30 10 IEEE COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1518513036 DGTNZLXRUSVJLH-UHFFFAOYSA-N 429.498 2.365 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1518754519 YINIAIZTGBUDIP-NRFANRHFSA-N 442.539 2.350 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cc1 1526380537 WZVLVTIKBXCVNI-UHFFFAOYSA-N 427.507 2.240 30 10 IEEE CC(C)N1CC[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 1528123090 MXUFGKSGGAIJES-VQTJNVASSA-N 432.532 2.384 30 10 IEEE CSc1ccc(CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1537964785 OWQVQRGCZHBUIL-AWEZNQCLSA-N 432.546 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)C(C)(C)C 1538983074 NKQPBPJRZOCEJC-HBIPHATFSA-N 436.603 2.354 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 1539207194 ZWNRCHCWNMAHRA-ZDUSSCGKSA-N 443.392 2.280 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539215994 MPFUAQSSQQNBHN-PBHICJAKSA-N 442.545 2.308 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1539331006 GKHCMDWLLYWQAA-UHFFFAOYSA-N 447.583 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)[C@H](C)CCC)CC1 1539481651 CMFAQNQDRCDRLH-GOSISDBHSA-N 444.624 2.385 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1539533769 UQBJIDRDJRUCAB-HSZRJFAPSA-N 426.565 2.345 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1539641136 LDUCBPMIAKNZGS-UYAOXDASSA-N 432.613 2.203 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539750387 MTUIXZGNDAHJCA-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539757964 FKZVGYIWQYRQIN-UYAOXDASSA-N 425.533 2.207 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1ccco1 1540054753 VSMNYFHGUYYQER-NRFANRHFSA-N 445.545 2.318 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(NC(C)C)CC1 1540904803 QGRFJCVXOBPMRM-UHFFFAOYSA-N 437.635 2.498 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1541233548 MWMNXZIGYCNCCT-UVDDSOTQSA-N 440.573 2.080 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CC=CCC1 1541680652 AMNUWWXWTDNCED-NRFANRHFSA-N 449.559 2.128 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)C(=O)OCC 1544338443 FUKWAIYIFDDONO-CQSZACIVSA-N 432.851 2.436 30 10 IEEE C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1544421788 UPBLVVFFYJMNJP-UETRRIKXSA-N 439.578 2.245 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1545864320 OLZOSNAOJZHELG-INIZCTEOSA-N 429.569 2.241 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1554607337 GHFXEUBPQJYMSE-APWZRJJASA-N 447.561 2.167 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCCCO)C2CC2)CC1 1555791817 FFDCAFLPJAXFQI-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C#N)c(F)c2)c1 1557028691 UWAONQFSOBADPM-UHFFFAOYSA-N 425.869 2.205 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)CC1 1559980861 XIWCWVFPJOCREG-FQEVSTJZSA-N 433.597 2.153 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1C1CCCC1 1560145477 LESNXZXHMIQPTG-XXBNENTESA-N 427.568 2.483 30 10 IEEE CC(C)n1cc(C2=CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 1569577715 CKKMSGSRIPDMIJ-INIZCTEOSA-N 442.545 2.103 30 10 IEEE C#CCN(CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OC(C)(C)C 1583258604 IURJGBFIFUQOHZ-QZTJIDSGSA-N 443.544 2.423 30 10 IEEE CNC(=O)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccc(OC)c(F)c1 1584722363 BBHJZXPWNVWQDL-NYHFZMIOSA-N 435.496 2.117 30 10 IEEE COc1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cnc1OC 1584829036 LMJOPXYSMLXDRG-UHFFFAOYSA-N 432.502 2.336 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1589216427 OLTACHPKAUCHMZ-PGRDOPGGSA-N 433.622 2.437 30 10 IEEE C=C(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1589372048 VNPYFOASICUUBY-OAHLLOKOSA-N 447.351 2.132 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1COc2ccccc2O1 1593690460 LZPJTJMSUYCCEK-QGZVFWFLSA-N 429.521 2.285 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2CC)CC1 1594430805 PSAZGLHRVONFGV-UHFFFAOYSA-N 426.550 2.332 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1594839079 CIFFMTJJRJJUDL-UHFFFAOYSA-N 437.895 2.486 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1595171284 SGALDWYVTOCDCD-UHFFFAOYSA-N 443.511 2.438 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1595614432 TYUZKYRFUKZQEW-IEBWSBKVSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCOCC2)C1 1595737522 CEGOTBXPPYBJDR-GOSISDBHSA-N 433.578 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1595789116 NDBSBZHBHZQPKD-YOEHRIQHSA-N 447.536 2.093 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccco2)C1 1595798456 PNTQWNQBAIKYNX-ROUUACIJSA-N 436.534 2.291 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1595854909 QTQATENITDISBO-MRXNPFEDSA-N 436.969 2.254 30 10 IEEE C#CCN(CC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)C(=O)OC(C)(C)C 1595927060 KFDUVXAIQRYTHL-UHFFFAOYSA-N 435.484 2.353 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cc(-c2ccccc2)no1 1596782206 GVISMPXCHIJMSE-GJZGRUSLSA-N 443.533 2.187 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1596840554 DVUIAXRULMGPQY-HNNXBMFYSA-N 441.502 2.271 30 10 IEEE CN(CCCO)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1598134534 YJSZGJROWRKOJR-FRIYVGAWSA-N 434.581 2.078 30 10 IEEE CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1598465326 ADDVPPNWPNYOHN-UHFFFAOYSA-N 443.573 2.382 30 10 IEEE C[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612768235 YAMQPHUMXNOQQC-NFFVOIMASA-N 435.532 2.417 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCS2 1618557151 PGYIXFAHYHCLIQ-GKVAYGERSA-N 427.526 2.245 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1619615106 WQZLJKGXZSGTIL-IBGZPJMESA-N 428.512 2.496 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 1624284149 NSHPITCUTNZBPY-HZPDHXFCSA-N 427.526 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@H](CNC(N)=O)C1 1625715709 PPAXPHSWRPDPCO-APWZRJJASA-N 441.532 2.299 30 10 IEEE CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1627160606 OYXGZXOENWWYPZ-CJNGLKHVSA-N 428.352 2.087 30 10 IEEE C=C[C@@H](C(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1627214338 FOFZWVPGGTWHLO-JOCHJYFZSA-N 427.570 2.387 30 10 IEEE C#CCN1CCCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 1629542707 YUNOGHYZFIGPOM-UHFFFAOYSA-N 428.577 2.181 30 10 IEEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)C(=O)OC 1629617826 ZWBUDVRSXCQQNR-KXBFYZLASA-N 426.494 2.121 30 10 IEEE CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1629668920 UMGBWLCGCJPLBX-UHFFFAOYSA-N 448.932 2.028 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(CC2CC2)[C@H](C(N)=O)C2CC2)C1 1632430862 NIASUMUMLSCJEH-SFHVURJKSA-N 431.334 2.259 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] 1636206293 LRBKEOFDTMIIAE-HOTGVXAUSA-N 442.451 2.249 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 1636541553 JHSXCZYQAOEJBU-QGZVFWFLSA-N 432.299 2.090 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 1636814555 LJGDPCFVZCJZEK-LSDHHAIUSA-N 435.315 2.098 30 10 IEEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1642543439 SCKKCNDEUFEQBN-UZLBHIALSA-N 441.576 2.407 30 10 IEEE COc1cc2nc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)c(=O)n(C)c2cc1OC 1642605762 BAQQQHFNRRLSBU-QHCPKHFHSA-N 433.468 2.043 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)c1 1651799161 GGNGAHLABDRACB-LJQANCHMSA-N 430.873 2.498 30 10 IEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 1660512932 GYTAEOPDJKAQAR-HXUWFJFHSA-N 441.576 2.444 30 10 IEEE N#Cc1ccsc1N1CC[C@H](N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)C1=O 1660647249 PMJLGRXGEDUWKI-DVOMOZLQSA-N 433.477 2.167 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1682368302 YDQXVIXANZDNHD-HXUWFJFHSA-N 433.578 2.211 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1683424537 FDDFNHAHEJWFSG-NRFANRHFSA-N 439.541 2.115 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](CCC)OC 1689835977 WRDAALGOUFQLME-AEFFLSMTSA-N 433.578 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCN2CC)CC1 1690150411 GOHMJPQQHNSZQP-JOCHJYFZSA-N 449.603 2.104 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1690155457 KFHFGAPMPPQMIY-LUKYLMHMSA-N 425.624 2.270 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690180681 JEYDCLHYIQLWEN-FQEVSTJZSA-N 444.649 2.120 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690295608 FCLQGSPLLLSFPU-UHFFFAOYSA-N 437.541 2.433 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1696807775 NABZDRQDWQTZPD-INIZCTEOSA-N 439.488 2.112 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)C[C@H]1OC 1697191628 HYHUFFGODGDSEF-SLFFLAALSA-N 429.521 2.250 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1697774552 FIEDOTATLXAMKK-SFHVURJKSA-N 440.458 2.057 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCS2)CCO1 1698490705 GDKVYLHUDFBJME-IAGOWNOFSA-N 446.964 2.486 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)C[C@H]1c1ccccc1 1698495664 UXICSRPVFZDICF-IXDOHACOSA-N 430.459 2.254 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705562413 BPAHJDDLCDXFEQ-INIZCTEOSA-N 444.557 2.389 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705569779 JTFBVMNIRAXHLG-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)OCCCO2 1705587626 CJPRFIRMJYZFAY-UGKGYDQZSA-N 436.512 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1-n1cccn1 1705600559 CTOQOGAFTOVJKN-UHFFFAOYSA-N 439.527 2.232 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705733550 PVXKVMNGPWUDKQ-SFHVURJKSA-N 441.532 2.366 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(N(C)C)CCSC2)CCOC1 1706068148 FQPYOFHKVZRRRK-UIFIKXQLSA-N 436.626 2.352 30 10 IEEE CC(C)CSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1706539235 IROSWAYMXVPJBO-QAPCUYQASA-N 428.628 2.408 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(N(C)C)cc2)n1 1707833550 XMZKLDTUSZCDAQ-OAQYLSRUSA-N 434.548 2.177 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OC)cc1OC 1709142350 YYBSIWAFKANQGC-UHFFFAOYSA-N 433.516 2.499 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1710295423 HOUZESIIYLAMRG-PZJWPPBQSA-N 429.613 2.186 30 10 IEEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1711109601 CBFGBSINVBKGFQ-UHFFFAOYSA-N 430.516 2.417 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1711606419 GYUPWRSNGRVDAX-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(Cl)cccc1OC 1712647722 IDXAARXLZHIWEN-KHYOSLBOSA-N 447.923 2.441 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC(=O)N2CCCCC2)cc1 1712879621 HIGWDUZLOIXVJC-LJQANCHMSA-N 449.559 2.311 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCc1ccccc1 1722297837 PMIBCSLSMQKPQU-LJQANCHMSA-N 441.539 2.333 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1722351199 GZLLDCFDQMXERT-IERDGZPVSA-N 435.594 2.330 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722356658 QXCGIJBHSIVGNW-UHFFFAOYSA-N 434.544 2.387 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722361305 HAMXNXTVLDJUCH-SFTDATJTSA-N 441.601 2.446 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CC[C@@H](F)C2)n1 1722428503 WWRFIUOEXPXECK-ZWKOTPCHSA-N 438.511 2.356 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(C)c1 1722429148 OIEYCJZZPFUEOZ-OALUTQOASA-N 446.573 2.042 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1722546517 NXLXBGKMAMPDAS-GFCCVEGCSA-N 441.717 2.439 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(C)cn1 1722632519 XBBJCCKUIYBFHB-UHFFFAOYSA-N 429.550 2.023 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1722686342 XOZYYXRXZFENGF-QGZVFWFLSA-N 434.537 2.079 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(CC)C1 1722692451 MMMNXTRWZHWZPB-QHCPKHFHSA-N 440.548 2.455 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1728556805 YJSVCLIYYUPSKF-ANCYGEEGSA-N 441.580 2.381 30 10 IEEE CN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1729428001 IGCFRIQPXPLMAG-MRCUWXFGSA-N 449.540 2.488 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(OC)cc1OC 1740642203 SLGPJNUEXCWOII-UHFFFAOYSA-N 432.528 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(C(N)=O)nc1 1740645009 BYEHAMUCEPIBJT-UHFFFAOYSA-N 430.537 2.494 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCSC(F)(F)F 1740678119 AYODUOTXIVRKGY-UHFFFAOYSA-N 428.440 2.264 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740796085 NJTXBJWHRLQLFF-FQEVSTJZSA-N 443.596 2.473 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852044 HOZUBDMICDRWLB-VGOFRKELSA-N 432.569 2.135 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1740868761 SCBBQTVROXCSQY-HOCLYGCPSA-N 449.581 2.499 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2ccsc2)CC1 1740992954 WNAXNFRJQYGYHW-UHFFFAOYSA-N 437.635 2.461 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1741002523 JLLVPSIQNPHSRG-YJBOKZPZSA-N 429.546 2.377 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1741698446 BFPCYVAGRWXZDJ-BBRMVZONSA-N 436.438 2.497 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1742243161 CXXZFZAJNHETEU-NZSAHSFTSA-N 426.521 2.426 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1748731082 SZLRZYNKINIGFQ-GCJKJVERSA-N 444.536 2.392 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1748734169 AIWIAENSUDPGRB-HNNXBMFYSA-N 428.489 2.384 30 10 IEEE COc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1OC 1748806805 CUHDIDYJCVLNMG-YCRPNKLZSA-N 431.468 2.298 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748818735 FDSCUQYKCHZDRO-WSTZPKSXSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN(C(C)=O)C1 1748836267 SIPONVQCJASQNV-LJQANCHMSA-N 435.528 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)C(C)C 1748889844 HLJJTJOYKMKWOA-DEOSSOPVSA-N 435.576 2.322 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(F)c(F)c2F)CC1 1748987122 PWRRJYKKFKUWKV-UHFFFAOYSA-N 427.434 2.150 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749358112 DJACRDNIPSKOEK-UHFFFAOYSA-N 442.612 2.271 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1Cc1nnn(C)n1 1749530327 YWWKXHLTXJIDHS-UHFFFAOYSA-N 431.504 2.037 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(C)CC1 1749658464 QYKGKFUSWRSWOK-UHFFFAOYSA-N 435.536 2.238 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccsc1 1750021519 BVXPEEAZJRWUEM-VQIMIIECSA-N 430.578 2.483 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1750463918 QORCATIEHZOJFK-JOCHJYFZSA-N 439.520 2.194 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOCc1ccccc1 1751202537 DGXORXIPFCBYOR-QGZVFWFLSA-N 446.577 2.235 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCS(C)(=O)=O 1760114118 GRVRUUFLKHVYMU-OAHLLOKOSA-N 442.545 2.267 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760129781 YZOTUAQKKAOFAH-UHFFFAOYSA-N 437.548 2.470 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760157250 JIPJYOJKLZLYJP-UHFFFAOYSA-N 435.507 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1760245755 KZPUMGKHDNTMAW-OAQYLSRUSA-N 444.543 2.305 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNC(=O)C(C)C)CC1 1760257784 JKHBHQKMGYXBAC-UHFFFAOYSA-N 447.587 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)c2ccccc2)CC1 1760269104 YJIZOJCATMQNBP-SFHVURJKSA-N 431.544 2.448 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760357775 NHZQYCXQMGBINZ-LPHOPBHVSA-N 427.505 2.050 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1)C1CC1 1760473712 CXHQXNCELZUFFN-YRVHBCJASA-N 448.614 2.262 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760566410 SRJFKONVQLZXBK-MAUKXSAKSA-N 429.546 2.377 30 10 IEEE CCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cs1 1762786973 KDQRYWXOBBNARH-UHFFFAOYSA-N 428.543 2.119 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C[C@]2(CCOC2)O1 1763177742 LGNOAMLXUYDRHA-JPYJTQIMSA-N 441.532 2.276 30 10 IEEE CCCN1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1766071531 MYOKDRUHGLTPOV-QFIPXVFZSA-N 440.527 2.489 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1768855489 QALDJRDVVNEUIR-UHFFFAOYSA-N 442.483 2.195 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1768903256 IPUBRQQFWAIOSM-NRFANRHFSA-N 443.529 2.188 30 10 IEEE COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1771119407 LLBPRPLTXOCMAW-UHFFFAOYSA-N 439.470 2.387 30 10 IEEE N#CCc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 1851383863 ARIQWZATNZQZFQ-UHFFFAOYSA-N 432.933 2.351 30 10 IEEE Cc1cc(C)c(C#N)c(C(=O)OC[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)n1 1851762378 JCYOSTAOBBRNHX-IBGZPJMESA-N 427.526 2.069 30 10 IEEE COc1ccc2nc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc(OC)c2c1 1852288703 MQHBBFVCPZKYCX-UHFFFAOYSA-N 447.495 2.498 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1852589721 CMPZTRMBBLKEGL-GFCCVEGCSA-N 447.467 2.145 30 10 IEEE Cc1ccc(S(=O)(=O)NC(=NOCC2OCCO2)C2(C)CCN(C)CC2)c(C)c1 1853467184 BMHHCOORZDTCNA-UHFFFAOYSA-N 425.551 2.017 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)[C@H]1C 1854296143 URNRESSLAVKNST-ZIAGYGMSSA-N 445.994 2.048 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)C[C@H]3CCOC3)c3ccccc32)cc1 1854475796 NSHFQFCJFZTXHZ-MRXNPFEDSA-N 425.466 2.053 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)OC1=O 1855063236 WDFJJRNXURHCNT-INIZCTEOSA-N 425.894 2.143 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855869919 JRWVGPTUWLZSTJ-LJQANCHMSA-N 431.558 2.022 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 1862627234 KTANZAKSOUVWRO-IBGZPJMESA-N 426.400 2.269 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862627256 LEZOAADFLBMZCT-FQEVSTJZSA-N 438.436 2.138 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(F)cc2F)CC1 1866867239 NQQJXZZAZOZGHW-ROUUACIJSA-N 448.495 2.419 30 10 IEEE COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)cc1Cl 1870101193 UHHQCVOBGCUTIF-UHFFFAOYSA-N 449.858 2.209 30 10 IEEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870151447 WTMBQEGJVDSCRE-INIZCTEOSA-N 444.451 2.391 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCC[C@@H](C)C2)nc1C 1872678846 NYULDDHSXAOEHG-LLVKDONJSA-N 449.489 2.067 30 10 IEEE Cc1nnc2ccc(=N/N=C/c3cc(Br)c(O)c(Br)c3O)[nH]n12 1873792325 BYXCVKDENQFEDP-FZSIALSZSA-N 442.071 2.237 30 10 IEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1 1874209559 DAWWPYGKWVUZMF-SZMVHAFZSA-N 434.525 2.254 30 10 IEEE COc1ccc(Cc2nnc(SCCO)n2/N=C/c2ccc(O)c(O)c2)cc1OC 1874239818 AUKPLCBGCJAUNC-CIAFOILYSA-N 430.486 2.264 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](Nc2cc(Br)cnc2C#N)C1 1877652716 JWKVOYZAPBOQAO-KGLIPLIRSA-N 445.339 2.160 30 10 IEEE CN(CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1)Cc1ccccc1 1891454595 HKTCTBMSZDTJCT-JOCHJYFZSA-N 443.544 2.230 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 1897692418 OSGRHHBWZKPGAK-CVEARBPZSA-N 427.542 2.334 30 10 IEEE C#C[C@H](CO)NC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 1984739822 NVFVKNCVJNWJMO-GFCCVEGCSA-N 430.242 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060642201 STEMOJABSFJJLO-ZIAGYGMSSA-N 436.293 2.062 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060727746 HSNJOCNRUSXPJW-PCCBWWKXSA-N 442.560 2.495 30 10 IEEE C#CCN1CC[C@H](NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2083716781 GOTRYZCLGWQGNC-NRFANRHFSA-N 440.588 2.370 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(Br)cc1C#N 2141250978 QBGPFOQCXRFOTL-CYBMUJFWSA-N 425.283 2.418 30 10 IEEE N#C[C@H]1CCCN(S(=O)(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)C1 2174779130 FTZHYYZEDGAWRN-LJQANCHMSA-N 432.546 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@H](O)[C@H](N)C#Cc2ccccc2Br)C1 2235730172 UVKFLLDFWRQSQF-NXHRZFHOSA-N 439.350 2.372 30 10 IEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603034 AEKNTTPJVGPVDY-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE Cc1c(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255633045 VRRNEZCZVTYDDU-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255654947 GDVJIIZMSWBPPO-RYUDHWBXSA-N 430.232 2.250 30 10 IEEE COCCN(CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2256614466 NJAZQGIXVCZWGM-UHFFFAOYSA-N 435.330 2.203 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)n[nH]1 2256635689 FQQQERHZPDARKF-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)[C@@H]21 2256680562 YTOQFHDUQLLZHJ-YESZJQIVSA-N 434.342 2.411 30 10 IEEE Cc1cc(CNC(=O)C#CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2260829253 VLRJINCQKLXODW-UHFFFAOYSA-N 428.338 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267134648 SEYVVBNERMFIRD-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267142881 ADAQNSTUYQBULM-LSDHHAIUSA-N 446.357 2.038 30 10 IEEE Cc1c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267144917 AJHCYNNKGKMFHY-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267185067 QGLPFPHLXPSTIU-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267261256 SUKAKFUCIXRJAD-IQMFZBJNSA-N 445.369 2.454 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267516439 DLVMWPUHRGBXCB-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2267528136 PVGPBNZIZSJTPP-HOTGVXAUSA-N 446.357 2.036 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267873374 OYKZBTHUSMNGJH-MOPGFXCFSA-N 434.349 2.122 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2278793503 LYWNBFFEWNKPSH-MDZRGWNJSA-N 425.323 2.043 30 10 IEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)c1 2296614896 DSICMSDCDKFJBU-LJQANCHMSA-N 428.489 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2298375946 SSEUKIBXKKJWJR-FPMFFAJLSA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2334261299 LXFIPNPUFQSMPA-YXWQFLTLSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2334270272 SRHXSNUMDHJRJY-SOUVJXGZSA-N 446.357 2.084 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337205074 UJWIUXOIGGEMIR-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC 18039288 OLDMLRMHQUYEEH-UHFFFAOYSA-N 441.509 2.278 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)NC3CCCC3)n[nH]2)cc(OC)c1OC 20909529 WCXKVXZPLAQAJV-KEBDBYFISA-N 434.522 2.427 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3OC)n2N)cc1 21319533 GEICNYYWGRAZEH-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 110356910 LYCIFRXTTZIYBJ-NRFANRHFSA-N 429.517 2.222 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCC(C)(C)O3)nnc12 428874854 BHKHWRNEKUHOMM-CQSZACIVSA-N 427.530 2.396 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)CC2)n1 462033266 VCUMXVGQSOBVMB-UHFFFAOYSA-N 440.935 2.475 30 10 IEEE CCC1(CC)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC[S@@]1=O 469511601 DYNSHPLBFVWYDU-WRGVRERRSA-N 434.581 2.158 30 10 IEEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(F)c(C#N)c1 488920710 ZAUMJJUITHGPCY-CYBMUJFWSA-N 430.461 2.082 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@]34[C@@H]5[C@H]6C(=O)[C@H]3[C@@H]3[C@@H]6C[C@@H]5[C@H]34)c(C#N)c2N)cc1 503018261 NIDCUVPZCDNBCR-FPAMOKSRSA-N 427.508 2.010 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508937504 XYHXPJSLHIPSPS-UHFFFAOYSA-N 449.603 2.161 30 10 IEEE C=CCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(F)(F)Oc1ccccc1 508996961 IGRDUCGRTYLHBG-AWEZNQCLSA-N 427.477 2.063 30 10 IEEE CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 517554612 CQOYKUWJDVVJCY-UHFFFAOYSA-N 441.557 2.336 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)CC2)n1 544832904 JADPPUAWJGDNQG-UHFFFAOYSA-N 448.552 2.342 30 10 IEEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 549290539 DEASMNWLBGKIIX-UHFFFAOYSA-N 440.367 2.365 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 557746682 MJNGECZMVXSDHX-HXUWFJFHSA-N 435.503 2.222 30 10 IEEE N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NCCN=c2cc[nH]cc2)cc1 574844601 OPCAUAVKIIZRGR-UHFFFAOYSA-N 429.480 2.315 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)(F)F)c1 730145084 WIHRUWRLFQNJEN-OAHLLOKOSA-N 426.464 2.230 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)C2CCOCC2)n(Cc2ccc(F)cc2)c1C 735947377 JDBVPPXQORLVCP-OAQYLSRUSA-N 443.475 2.433 30 10 IEEE CN1CCC[C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1cccs1 741710753 HRJWKFAPMFSEFB-FOIQADDNSA-N 446.598 2.376 30 10 IEEE COCCCn1c(S)nc2cc(C(=O)NCCOc3ccc(C#N)cc3)ccc2c1=O 742104651 KALXBEHEOCPVAT-UHFFFAOYSA-N 438.509 2.402 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)C(C)C 744430403 YPHJVWBIBSMGHD-MOPGFXCFSA-N 445.589 2.229 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 749156813 HKOKTGJFWGYKCU-UHFFFAOYSA-N 439.415 2.110 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1-c1ccccc1C 753356343 BLCPLLSHHNYLIZ-AWEZNQCLSA-N 449.532 2.440 30 10 IEEE Cc1c(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cccc1S(N)(=O)=O 754327576 QKEBKTNXKGLVDB-LLVKDONJSA-N 433.511 2.248 30 10 IEEE C#CCN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C1CCCC1 757176668 MJKSJFSGVAGTOI-UHFFFAOYSA-N 441.347 2.207 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757463169 KXBKMDHBJSCPDP-BHIFYINESA-N 448.475 2.275 30 10 IEEE O=C(O)C#CCNC(=O)[C@@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 757473498 FPBJKYAUCIUYQF-QMHKHESXSA-N 448.475 2.134 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(=O)[nH]c21 757575819 IHCJKUBNTAKXOQ-TZNMXKOXSA-N 440.504 2.194 30 10 IEEE CCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 761684141 VHWBLNKURUZDKN-VAIHUBBGSA-N 425.533 2.380 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNc1ncnc2cccc(I)c12 762801139 GZOWTZTUEQGHND-JQIJEIRASA-N 435.225 2.173 30 10 IEEE CSCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 765001532 BSBNZMBTWCUFCS-UHFFFAOYSA-N 427.551 2.255 30 10 IEEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccc(C#N)cc3Cl)ncnc1-2 768994558 FALBLIBCSXMRMK-UHFFFAOYSA-N 449.700 2.258 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774521749 YZWIMVCBTMTACD-UHFFFAOYSA-N 426.501 2.143 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)OCCn2ncc(C#N)c2N)C[C@H]2CCCC[C@H]21 779206949 VPLZTYORSVDHPY-LZQZEXGQSA-N 437.500 2.362 30 10 IEEE Cc1cccc(CNC(=O)[C@H](C#N)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 786544563 XFIIPWFYZFVQQK-OAQYLSRUSA-N 439.537 2.421 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c(C)c1 786684392 WTQXLQGHRMMFNX-GOSISDBHSA-N 449.598 2.338 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 788039724 IFTZLFRPRPMOHJ-UHFFFAOYSA-N 437.543 2.356 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(c3nccc(OC)n3)CC2)CCCN1C(=O)OC(C)(C)C 790472309 NRUOMMSQSLFMDK-QFIPXVFZSA-N 431.537 2.480 30 10 IEEE COc1ccc(C2=NN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)[C@@H](c3ccco3)C2)cc1 798740263 OTPBCSUGWHCZBT-KBXCAEBGSA-N 448.439 2.233 30 10 IEEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 803699272 XMKULRNVYLVSPB-UHFFFAOYSA-N 446.525 2.014 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 809885159 AXMJKDISADNTQV-HOIFWPIMSA-N 449.552 2.157 30 10 IEEE CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)ccn1 856652475 UPNYRMCXMXZTOM-QFIPXVFZSA-N 435.528 2.203 30 10 IEEE CC(C)NC(=O)CSc1ccccc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775628 WZCAPWQSVQXJDS-UHFFFAOYSA-N 431.539 2.435 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)nn1 1128146466 DWDQEOHFCUGFIP-UHFFFAOYSA-N 438.488 2.455 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1=O 1132575604 ICEGMUPFWIYXTO-HSZRJFAPSA-N 428.452 2.209 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(Cc4cccc(C)c4)CCO3)cc2C1=O 1132589242 IKNVEBFAZJOSTO-HXUWFJFHSA-N 433.508 2.408 30 10 IEEE C#C[C@H](NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)[C@H]1CCCO1 1138446317 IORSOKXUPHCNAJ-HZSPNIEDSA-N 439.463 2.308 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)CC2=O)cc1Cl 1142371241 OYCWEBZQAYOPDE-HZPDHXFCSA-N 442.878 2.164 30 10 IEEE N#CC[C@]1(O)CCN(C(=O)Cc2cc(Br)cc(I)c2)C1 1143196060 VODYMXKFSHZNFS-AWEZNQCLSA-N 449.086 2.473 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)n[nH]2)c1C 1150240718 PSJSKVSIQWGUEH-INIZCTEOSA-N 446.552 2.376 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 1159627507 NRRQUSUHUBUIGF-FQEVSTJZSA-N 428.514 2.475 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1185623706 AFOAJTHTZRKXBS-SFHVURJKSA-N 435.546 2.268 30 10 IEEE Cc1ccccc1CN1CCN(C(=O)Cn2cc(C#N)c(I)n2)CC1 1189591918 GTQVHWAENIANGT-UHFFFAOYSA-N 449.296 2.012 30 10 IEEE COC(=O)[C@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1196239104 XEGLAIKZFMRRFZ-QHCPKHFHSA-N 440.500 2.177 30 10 IEEE C#CCN(C)CCCNC(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1222169896 CJXGRIKINIQOEL-UHFFFAOYSA-N 430.530 2.032 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1255412963 JPPIGYRUPQJFHF-GOEBONIOSA-N 427.496 2.260 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCS(C)(=O)=O 1286337395 GQLYBQMVSCZDKW-UHFFFAOYSA-N 428.356 2.320 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(=O)(=O)CC 1286363028 IJGFYCCMGZNIHC-AWEZNQCLSA-N 425.942 2.080 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286382370 IYNYYIVMHWOPCS-SFHVURJKSA-N 441.469 2.121 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1286436595 OMDNCZUCGDJDHZ-OAQYLSRUSA-N 432.546 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN(C)C(C)C)CC1 1286475071 WKLDVCZMOWBVGV-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1286480584 NSKIWGGAYARKEY-VQTJNVASSA-N 426.565 2.213 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](OC)C(C)C)CC1 1286483763 XXCODFUKDILGTN-JOCHJYFZSA-N 425.577 2.498 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1286484750 NZBNAWMKMFPAKR-YADARESESA-N 436.560 2.281 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286671904 BIXFGKGDQOMFIH-IAGOWNOFSA-N 449.621 2.278 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1286703537 NZXLQTUNZRGDDR-UHFFFAOYSA-N 425.516 2.362 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286779760 WYQCGPQFGLSGIP-FPOVZHCZSA-N 432.613 2.183 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1287069554 URPXJPAMWVBXND-CQSZACIVSA-N 448.474 2.401 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1288964812 HIVVGAQLWOSPQL-JKSUJKDBSA-N 444.511 2.448 30 10 IEEE Cc1cnn(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)c1 1290286352 GDRPVRCRAVFWHO-GOSISDBHSA-N 433.582 2.152 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCOCC(F)(F)F 1291614889 DKHDPPLEEMKAQF-CQSZACIVSA-N 435.468 2.369 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H](C)O1 1293636783 DQYDCCFVZSWJJQ-APWZRJJASA-N 426.521 2.259 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1293838520 WXZYGHXYIVTUKR-GOTSBHOMSA-N 438.532 2.139 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2c(F)ccc(I)c2Cl)CC1 1294721844 ICSAIWSPMMSIBX-UHFFFAOYSA-N 435.624 2.282 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1 1298696928 YPEYHRVGDLKPFG-UHFFFAOYSA-N 427.530 2.447 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc(C)s1 1300284302 RBJQCMCYFALDOQ-CYBMUJFWSA-N 430.559 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N[C@H](C)CC 1300569705 RDIAFLHNSCPLLZ-GOSISDBHSA-N 435.528 2.484 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1300622495 ZWIDMSDBYVFGKK-QGZVFWFLSA-N 435.532 2.022 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1300780453 QKQGKGSSTZDDKR-DBXWQHBBSA-N 436.626 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)N1CCOCC1 1300874982 MCXIAEXLJLJIAT-XLIONFOSSA-N 429.521 2.123 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1300885471 PSODRJVWXNUWQI-QFBILLFUSA-N 439.626 2.366 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1300916277 VZPGQYGAEJRWMW-HOTGVXAUSA-N 449.543 2.467 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300990770 HNNLRJQESZHRHT-IBGZPJMESA-N 430.597 2.271 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1301178015 DBGXRBPFKXGWBR-UHFFFAOYSA-N 447.561 2.154 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301248816 LBMZRDCLGQNFNX-UHFFFAOYSA-N 438.580 2.322 30 10 IEEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)COC1 1301416402 GCCXGSPZYMTLIN-UHFFFAOYSA-N 448.593 2.222 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C(C)C 1301475495 UBTABRLXIGDCRQ-UHFFFAOYSA-N 428.512 2.370 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301506307 IPEIIEHKPNMXOS-UZLBHIALSA-N 425.533 2.183 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301542108 JUNGASAENABHMP-YGCDDZCOSA-N 438.488 2.154 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CCO1 1301898341 DNKUHYFOTJXPGX-IHPCNDPISA-N 426.496 2.296 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)C1 1303559296 YMKRXUYKNCRQFR-INIZCTEOSA-N 425.514 2.485 30 10 IEEE Cc1csc(C[C@@H]2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1304007352 UKSIXUUFWHEZQK-ZFWWWQNUSA-N 432.571 2.360 30 10 IEEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1311592626 FSVSYSMDQFAJOH-HSZRJFAPSA-N 434.544 2.167 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc(C)c1C#N 1350000918 AUPKMPSGTOCKLB-UHFFFAOYSA-N 441.538 2.327 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCCC1 1358872295 SBLDLCDTHKNVMC-SJORKVTESA-N 425.599 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1358885086 CORTXJNNLQELEF-KBPBESRZSA-N 428.443 2.074 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCN(CCN(C)C)CC1 1358950151 YNTBHDMIGKPVIK-JOCHJYFZSA-N 438.576 2.134 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(OC)CCC1 1358978270 HRHPRJIMPBSQGM-UHFFFAOYSA-N 433.560 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358990229 GOUMPAYPFCQKAW-QGZVFWFLSA-N 445.976 2.343 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1359035757 DATQXVDVOQVHGK-QGZVFWFLSA-N 435.450 2.484 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1359069734 WNHYNOYUJLLUEK-IKJLVAISSA-N 425.558 2.148 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1359118346 CUGMZMNRNMMLAP-UHFFFAOYSA-N 428.518 2.322 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359156925 SZMHFVKDCPWPTQ-WAOWUJCRSA-N 439.988 2.230 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](F)C2)CC1 1359178906 GEVOIPFJYBGOFD-SQNIBIBYSA-N 441.573 2.152 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@H]32)cc1 1359306963 WLWLJDZXNVGETN-VDZJLULYSA-N 431.562 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)nn2)C1 1439738419 HHFYSYBKUCXDMH-INIZCTEOSA-N 445.520 2.328 30 10 IEEE CN1C(=O)COc2ccc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc21 1441136495 LJXPSXYIQMWVQY-UHFFFAOYSA-N 430.468 2.044 30 10 IEEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1443618753 KJKYBHVOFXLFDZ-RTWAWAEBSA-N 432.480 2.187 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1449101438 GJZFOQFOLUNCEZ-CHWSQXEVSA-N 429.867 2.402 30 10 IEEE CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1449122715 QQSKGCMESSUFMC-INIZCTEOSA-N 427.457 2.271 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1c(O)n[nH]c1-c1ccccc1 1450174306 XNCOYMFRWMPFJD-UHFFFAOYSA-N 425.470 2.240 30 10 IEEE C[C@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)CC1(Br)Br 1450481262 YJZIRBIDWPFHRM-CQSZACIVSA-N 428.128 2.498 30 10 IEEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1455092472 LAXPJAWSHXZHGZ-KRWDZBQOSA-N 441.431 2.204 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)c1 1455527701 HNKWXWNYEWHTSN-VBKZILBWSA-N 434.514 2.020 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1 1465258873 DAKUIEDFGULHOG-SFHVURJKSA-N 434.562 2.262 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 1465726292 OWNPFIHLUFXDJW-CABCVRRESA-N 449.529 2.063 30 10 IEEE COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cc2OC)CC12CN(C(=O)OC(C)(C)C)C2 1472079379 UHSOPQQARZYLAE-MRXNPFEDSA-N 429.473 2.049 30 10 IEEE C#CCN1CCC(C(=O)N2CCOc3c(Br)cc(C(=O)OC)cc3C2)CC1 1472407760 NEOLVBLDZXISJB-UHFFFAOYSA-N 435.318 2.302 30 10 IEEE C#CCN(C(=O)NCCc1nnc(S)n1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1478894208 VSKVMTZCNQJWPX-UHFFFAOYSA-N 448.593 2.489 30 10 IEEE C[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1493768475 PBIAJKDYSYXSTO-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1501217632 AQIYTODMQWIGJV-OXJNMPFZSA-N 438.532 2.259 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1507517460 QLSYRSODDBHAJN-UONOGXRCSA-N 425.942 2.079 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507590370 BLXZVKFPDLZTRP-UHFFFAOYSA-N 449.559 2.442 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1507635194 QFUVGTILYUHUHY-LJQANCHMSA-N 428.558 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC[C@H](C(F)F)N1CCOCC1 1507666557 BPRNIJGBZNMSKI-RTBURBONSA-N 435.519 2.339 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccccc1 1507691933 KPEDXQKXZYRYMB-UHFFFAOYSA-N 429.571 2.368 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NC(C)C)CC1 1507726656 JXBBRBSSBPYCJJ-UHFFFAOYSA-N 438.576 2.144 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507775856 YHXMINVEEBWSHA-CYBMUJFWSA-N 425.331 2.077 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1507800245 MMYJLMYXTMECBF-IEBWSBKVSA-N 425.537 2.173 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507805432 JKEVVPRHLKUWRY-XLIONFOSSA-N 437.610 2.120 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507847346 GLWQMEKHAIUAEI-QGZVFWFLSA-N 438.525 2.212 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@@H]1CC 1507940008 VZIRSFUFERCDDU-INIZCTEOSA-N 445.593 2.228 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1508772460 OYUQVXIMMHTCII-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1510327415 WETIWARUYUYKHD-ZWKOTPCHSA-N 429.546 2.255 30 10 IEEE Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)cc1 1510694574 FGCGHXJGLDEDQB-UHFFFAOYSA-N 437.548 2.285 30 10 IEEE Cc1ncc(CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1511590498 SOGPWSNIJUZDPF-HNENSFHCSA-N 429.550 2.404 30 10 IEEE Cc1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511847919 KEZMFDUZPPAPLA-CVTQAYBASA-N 442.907 2.424 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1516725413 JHZUBPVLKOJXHW-UHFFFAOYSA-N 435.527 2.370 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 1518330703 FRQDZISYGMCZOZ-QHCPKHFHSA-N 438.532 2.474 30 10 IEEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1531442165 WGHKSLIKARJDOJ-UHFFFAOYSA-N 440.562 2.447 30 10 IEEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1OC 1538588253 BUQQBHNXDQLQSG-JOCHJYFZSA-N 430.501 2.005 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539011286 DBJKIMIRBVVSMH-RDJZCZTQSA-N 435.981 2.262 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CS(C)(=O)=O)cc1 1539039204 ZSEOWIVINPQQDX-UXPWSPDFSA-N 446.573 2.053 30 10 IEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539078344 ZBNKMPLTGAJDHR-FQEVSTJZSA-N 446.559 2.399 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539105278 ZHGRTIRMOJGHNH-QGZVFWFLSA-N 428.924 2.235 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1539223182 ZKCMMNRVSHSYSD-LSDHHAIUSA-N 443.367 2.055 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1539296305 OHMLNNOGYJBOOK-FDDCHVKYSA-N 425.508 2.087 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCN(C)C1 1539396987 WELULPKKZRCKMZ-JTSKRJEESA-N 447.967 2.224 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(C)cc(OC)c2)CC1 1539430359 JFCCTIIKCGNNAQ-IBGZPJMESA-N 427.549 2.123 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCOCC2(C)C)CC1 1539436719 ZSFLYNKBMAQGDY-UHFFFAOYSA-N 436.604 2.374 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1539642803 SLRKZUCLHCJTJB-SXWKCWPCSA-N 433.597 2.442 30 10 IEEE C[C@@](O)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1541958026 XUHXPZKSGPFCFF-SPLOXXLWSA-N 429.427 2.377 30 10 IEEE CCOC1CC(CNC(=O)Cc2ccc(Br)cc2C#N)(N2CCOCC2)C1 1543508397 QDVRNJPVRZKUCF-UHFFFAOYSA-N 436.350 2.249 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)C1 1547780082 IRPSFYMICCRIEQ-ATZDWAIDSA-N 446.552 2.473 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO[C@H]2C(C)C)CCOC1 1547917889 CDIZDNQWXLISSW-LMVRJCEZSA-N 433.553 2.110 30 10 IEEE CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1552716236 BYIIYGFQLULRMP-VQTJNVASSA-N 438.532 2.100 30 10 IEEE CSCCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555910634 FBGXCSSSAMEHDI-MSOLQXFVSA-N 431.610 2.329 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1564847548 OUOVOSYYGLHJMR-UHFFFAOYSA-N 427.427 2.400 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588058927 FPCZCUSIAAUXEL-UXHICEINSA-N 435.638 2.224 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588065160 VMTNGBRDLVOESQ-SVFBPWRDSA-N 447.649 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](OC)C1CC1 1588229076 QNFHUQGBNREXNC-OAQYLSRUSA-N 433.560 2.340 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1588400062 VAZYBIFJXVCDGZ-OALUTQOASA-N 446.596 2.388 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1589047785 JGEOKURPQJNHBJ-NRFANRHFSA-N 426.521 2.282 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](OC)C1)c1ccccc1 1593782106 GQIIBBYWHCPQBP-VDZJLULYSA-N 433.578 2.463 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1594807038 BYILPPDHCPWXPF-XXBNENTESA-N 425.533 2.228 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN1CCc2sccc2C1 1595291824 RPZIZFJEBPJTIE-UHFFFAOYSA-N 427.578 2.437 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C)C1 1595689143 SABGLLUIVBINCE-SJLPKXTDSA-N 433.578 2.080 30 10 IEEE C=CCCC[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1596244112 LNQAILSPGJWTCH-HOTGVXAUSA-N 435.525 2.478 30 10 IEEE CCOC(=O)c1nnc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)s1 1611131145 IPLPGMZASABSOE-UHFFFAOYSA-N 436.291 2.424 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1 1611816636 OWOUNTUYUWEGNG-JOCHJYFZSA-N 437.479 2.427 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)cc1C 1612108203 BOYJVKILFSXUTB-FQEVSTJZSA-N 437.548 2.362 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1617699009 VGAPWSIWOHBBSQ-FQEVSTJZSA-N 434.548 2.122 30 10 IEEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1618579649 GETPALBOSAQMRA-KKIUXKEOSA-N 448.589 2.186 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H]1C(F)(F)F 1620305020 KWRHTRKVUYDVQI-RHSMWYFYSA-N 448.449 2.310 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 1626056494 DIWSHUYIBGFTIR-UXHICEINSA-N 429.498 2.158 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)C1 1634109299 YUOTUMAKKPMFDJ-RBZJEDDUSA-N 435.525 2.052 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC(C)(C)c3ncc(OC)c(O)n3)ccc2c1=O 1635626842 QYOZOUQAZRSTDK-UHFFFAOYSA-N 427.486 2.041 30 10 IEEE Cc1cc(C(=O)NCC#C[C@H]2CCCCO2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1637185384 BJVZIKOLDQTPGW-LJQANCHMSA-N 429.542 2.103 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(C#N)CCCC2)c1 1644334657 CALXVKVOTXAXNU-UHFFFAOYSA-N 444.351 2.188 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1645045670 BZYLUSKPECMDIJ-AWEZNQCLSA-N 436.896 2.212 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)NCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454720 NNIYNCSWHSPICM-UHFFFAOYSA-N 449.573 2.460 30 10 IEEE CC(C)c1ccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1646439386 DEJDXUGTBJMQFL-UWJYYQICSA-N 444.582 2.485 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cnn(C3CCOCC3)c2C)c(=O)c1C#N 1650978438 CCIFBFZHCPOFCO-UHFFFAOYSA-N 434.294 2.340 30 10 IEEE CN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C[C@@H](O)c1cccc(C#N)c1 1659321664 DISJQMQHGJGSCJ-OAQYLSRUSA-N 438.553 2.351 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)c1 1661414209 OTELOCGOPHOMFO-LEWJYISDSA-N 445.493 2.443 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br)C1CCOCC1 1665156478 OYHSRWWUWMXVLD-HNNXBMFYSA-N 430.320 2.333 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OC 1671561631 OTUVXWAKJBYRQS-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)Nc3cccc(C#N)n3)C2)C(=O)C1 1673090385 FFJZWCFBEWAZPY-MRXNPFEDSA-N 428.493 2.029 30 10 IEEE C=CCONC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1682581195 TVXCFROFRWZTHP-UHFFFAOYSA-N 427.832 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)N3CC(Oc4ccc(C#N)cc4)C3)O2)C1 1683990453 WBAJKRMXINXMPG-SFHVURJKSA-N 442.516 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1690137419 YHNZYUNTJYJJIF-UHFFFAOYSA-N 436.560 2.117 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCn2cc(Cl)cn2)CC1 1690143825 CRVFNZWVCHHCNB-UHFFFAOYSA-N 429.956 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](C)N(C)C)CC1 1690150486 KDNCNWILVMTSNZ-IBGZPJMESA-N 447.587 2.197 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1690257209 ANVGJDRBLXDMRK-PXNSSMCTSA-N 426.583 2.156 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690319456 NNYHKSXKIHIACC-GOSISDBHSA-N 429.496 2.400 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690360922 BJCCCPHFHBIJOE-SJLPKXTDSA-N 436.988 2.451 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](COC)C1 1690666273 YNRJZGDNBXLLBI-MRXNPFEDSA-N 429.521 2.127 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2(C)C)C1 1690686984 WQSOORZYPKFIMS-BZUAXINKSA-N 443.639 2.201 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1705570024 JSZNDJSKAGNIQI-MOPGFXCFSA-N 448.564 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC1(N2CCOCC2)CC1 1705585797 KRRCLIFNGRNABQ-UHFFFAOYSA-N 433.556 2.412 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC=C 1705599442 ZOLDRDCUROJZSE-FQEVSTJZSA-N 438.553 2.256 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1Cc1ccccc1 1705625980 DMOVMEHPYTVUOH-JOCHJYFZSA-N 433.560 2.429 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCc1c(C)noc1C 1705629491 KINHHQWJAVBHLN-UHFFFAOYSA-N 433.516 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705694224 PNIXEHILFMQXLL-XLIONFOSSA-N 445.568 2.234 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1705844129 WNFXAYHUQQWRLR-IIBYNOLFSA-N 437.541 2.014 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705903637 ZEFNQDVKTZORMG-HOTGVXAUSA-N 430.578 2.487 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCOC2)C1 1705929454 QYTBCIPCTNBPGF-SJORKVTESA-N 431.562 2.478 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(C)c2)CC1 1705947949 DGOGOEBRUKPUFI-UHFFFAOYSA-N 429.594 2.437 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)C1 1712691855 FUTSGYZINBDFRG-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722360909 KHGUYVAKFPLFLW-PMACEKPBSA-N 443.573 2.316 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCc1cccc(C(=O)NC)c1 1722399717 ROJXCKXZCRDVSI-UHFFFAOYSA-N 426.524 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC(=O)NCC(F)(F)F 1722401321 SYGBRXWEGOAFMF-UHFFFAOYSA-N 433.434 2.307 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2ccn(C)n2)CC1 1722433871 FNQULQVYWNLHJQ-UHFFFAOYSA-N 427.915 2.469 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1722468833 UOARZCJKDQHAQX-GOSISDBHSA-N 445.300 2.411 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(C(C)=O)C1 1722474725 IHQHGBOTGAERAF-QTDGGUCWSA-N 429.565 2.253 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1722670996 FIWNCFGMUHKJNT-QGZVFWFLSA-N 426.521 2.443 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722709692 WDWBZSQQOGRHQL-ICSRJNTNSA-N 446.596 2.236 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722719520 VKTXLYOKHRVEDT-SJORKVTESA-N 442.507 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722725067 DBXCHYQQWRHPQZ-GOSISDBHSA-N 444.605 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1722732253 WVOMRWBVDYZLTK-YLJYHZDGSA-N 426.583 2.157 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1722866636 CAKUDCZMUHDZKU-NVXWUHKLSA-N 431.562 2.052 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)C1 1724003263 BOPYODCDDBDJFB-QGZVFWFLSA-N 445.329 2.243 30 10 IEEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1726370521 CPAGWUFXFPMYNO-GOSISDBHSA-N 426.546 2.033 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1726732424 DYWDJNUXMHDQFX-DBXWQHBBSA-N 435.532 2.045 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(=O)N(C)CC 1729029566 HHOINQASZUUEPU-UHFFFAOYSA-N 426.521 2.212 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C#N)CC1 1729213455 GGMNOJNRPMJYAL-UHFFFAOYSA-N 441.561 2.228 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@H](Cc4ccc(C#N)cc4)C3)n2CCOCCCO)cn1 1729573616 KFCAQIUAXIFWMQ-NRFANRHFSA-N 449.559 2.408 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)CC#N)ncn1 1729736477 OSPKYULQJKNVRR-YESZJQIVSA-N 425.541 2.369 30 10 IEEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1740578867 MSOKBJOLPTVOEO-TZMCWYRMSA-N 427.481 2.212 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CCN(C)C)CC1 1740603858 IOVCXWJRPPTYRJ-UHFFFAOYSA-N 438.576 2.059 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1740608923 FOOUDSZNBWXCQN-NSHDSACASA-N 429.365 2.122 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1740668825 BCCPPWPKOGVKRI-UHFFFAOYSA-N 426.521 2.114 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)CC1 1740947197 RSABGADHXOCOHD-UHFFFAOYSA-N 434.585 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CO)CC1 1740994622 QIRCRYCBIWWAHJ-UHFFFAOYSA-N 448.589 2.283 30 10 IEEE CC(=O)NCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1741112951 PRNQILFIPVOUSA-IEBWSBKVSA-N 426.521 2.290 30 10 IEEE Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1742072617 DDQGDBUTJJMNPL-UHFFFAOYSA-N 442.570 2.317 30 10 IEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1)S(C)(=O)=O 1746004545 GIPWCTSFFDSUPA-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)C1 1747432952 HXYHJHFDTWGQOB-NRFANRHFSA-N 446.577 2.151 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCOC1 1747622866 AABAJJUPVUIKIQ-GOSISDBHSA-N 429.546 2.399 30 10 IEEE COC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1748317236 SPWINFWEKPDTBO-QFIPXVFZSA-N 443.504 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 1748649398 ODNDXPXYSIURFF-AWEZNQCLSA-N 448.936 2.164 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC[C@@](C)(O)c1ccccc1 1748842654 QVHYKYFQIYFNSO-XMMPIXPASA-N 431.496 2.376 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCN(CC)C2)CC1 1748980008 VZPJRCXSNFOAKI-LJQANCHMSA-N 438.576 2.059 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1748999506 YUXFYTXUHYIFTI-UGKGYDQZSA-N 439.560 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCCC2)CC1 1749003620 PJUIQFWAFOTNTH-XMMPIXPASA-N 443.592 2.475 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCN(CC)CC1 1749051432 ILXQRBNQFVAEMB-YADARESESA-N 443.640 2.215 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCCOC)CC1 1749348331 ODQQGIJWHRCELG-UHFFFAOYSA-N 440.548 2.271 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749680229 HQGFBIFUOJKYDD-KRWDZBQOSA-N 442.589 2.273 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749760542 JUILZDXKZUENGQ-MSOLQXFVSA-N 429.594 2.021 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749761027 UFRYNYYNIQHCNS-KRWDZBQOSA-N 428.562 2.033 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)(F)F)C1 1750378352 HYCRJXQFMJOUAS-QGZVFWFLSA-N 428.365 2.128 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1751278353 UTAXJZMVDMXPSY-BBRMVZONSA-N 435.472 2.237 30 10 IEEE CC[C@H](C)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1752645550 XXGDMNWCROEXPK-JLXAXMFCSA-N 428.537 2.323 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760181647 YZVKJKOVIDPDHC-UYAOXDASSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1760219123 VOYIGSGBCOCESZ-INIZCTEOSA-N 446.960 2.353 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1760434231 ZYNAEJPJGILXRX-SFHVURJKSA-N 432.594 2.490 30 10 IEEE CC(C)OCCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1761326526 MDMAKSUJJHCZLF-UHFFFAOYSA-N 435.532 2.324 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1761361212 DCMWQBYLXYFPSK-MRXNPFEDSA-N 433.520 2.263 30 10 IEEE Cc1cnn(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)c1 1762194295 DOKJUVXEAHLNJH-SFHVURJKSA-N 427.896 2.444 30 10 IEEE CCCN(CC)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765987294 GJXYMEYRHZVCOP-HXUWFJFHSA-N 438.580 2.107 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1766759645 JSDQPTIZTBHRRF-LCUVTVSSSA-N 431.562 2.359 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1767102840 BEBSLIYBNQLEQZ-GBXCKJPGSA-N 436.608 2.420 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)CC1 1767149912 HUXOJGJIIWBHCE-RBUKOAKNSA-N 441.628 2.009 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)C1 1769195947 NGRVSDFAMUDTIT-KRWDZBQOSA-N 432.475 2.451 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1769387404 HYUOHQPGTNXCNB-ZWKOTPCHSA-N 436.516 2.121 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@](F)(C#N)C1 1770335805 JGMUSEJOPPCVHT-INIZCTEOSA-N 442.314 2.194 30 10 IEEE CN(C)C=NC(=S)N(C(=O)CN1CCOCC1)c1ccc(Br)cc1F 1851662637 JJSLFJDYICYPSQ-UHFFFAOYSA-N 431.331 2.128 30 10 IEEE Cn1ccnc(N2CCC(N(C(=O)CC#N)[C@H]3CCCN(Cc4ccccc4)C3)CC2)c1=O 1853487652 BUJHYHWNPVEQGH-QFIPXVFZSA-N 448.571 2.156 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)[C@@H]1C 1854295652 LHXYPAYKRZRLOW-UONOGXRCSA-N 445.994 2.190 30 10 IEEE CN(CCC#N)[C@@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1=O 1854306994 XFMUBHYNAIXRSE-QGZVFWFLSA-N 425.938 2.257 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)C(C)(C)C2=O)CC1=O 1856366548 UIARCKJGRVAWRI-INIZCTEOSA-N 431.920 2.007 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1cccc(Oc2ccc(F)cc2)c1 1857118895 RGWRIALDOSXMBP-CQSZACIVSA-N 431.445 2.280 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1858107059 SUAQHGMGZLERAS-SFHVURJKSA-N 432.571 2.031 30 10 IEEE Cc1nc2ccc(C(=O)Nc3nnc(CCC(=O)Nc4ccccc4C#N)c(O)n3)cc2[nH]1 1860861464 DSULRRCBXRDWEM-UHFFFAOYSA-N 442.439 2.457 30 10 IEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1F 1870150475 CZHOCOOGLPRXDM-AWEZNQCLSA-N 448.414 2.276 30 10 IEEE CCCNC(=O)COc1cn(CCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870191256 SRPNOJUTTJRHHP-UHFFFAOYSA-N 444.557 2.230 30 10 IEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870904549 VDOQTFAEAVKDBB-UHFFFAOYSA-N 447.444 2.132 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3cccc(OC)c3)CC2)CC1 1890307658 HTLJSENPTLDUBJ-NRFANRHFSA-N 443.588 2.111 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)c(F)c1 1891276072 IMLMGVXRIIUHRD-UHFFFAOYSA-N 425.855 2.284 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)O 1914795541 VPNWZCFTCOOIPS-VLCRHTCISA-N 436.512 2.464 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ncc(C#CCCO)s1 2145937422 IUUIZYSRNLYMEZ-UHFFFAOYSA-N 447.538 2.085 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@@H]21 2224130574 FIVMAWKMJPTCTA-IKGGRYGDSA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247836893 JUZAVNMEXDIKEG-DABQJJPHSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255629144 RMGJKQYTMHHHPY-CQSZACIVSA-N 434.346 2.084 30 10 IEEE CCN(CCN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2255651513 XMJWQYVZWXQRHE-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1 2255822995 RLCGHVNDMIKBPK-UHFFFAOYSA-N 435.330 2.218 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830484 HCJOBQJMULRSEO-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC12CCOCC2 2255852991 KPSQSWVZSHCEJF-INIZCTEOSA-N 434.342 2.296 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C 2267524923 WZUDSRRUYFEACU-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267553366 YRVBUPHGPYWVLH-HNNXBMFYSA-N 446.357 2.151 30 10 IEEE Cc1ccc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267598049 VXSVEWAKSGRHSW-ROUUACIJSA-N 446.353 2.316 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2315400516 ZYLIXERIYPZBSZ-SJORKVTESA-N 433.358 2.154 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n1C 2315631614 UPOHKULBTRBXCI-CHWSQXEVSA-N 436.362 2.059 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2315685239 RVLAKUPAGZHOEW-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2315694638 BTBYXWKJDSTTDN-QGZVFWFLSA-N 438.362 2.292 30 10 IEEE COCCn1cc(C#C[C@H](O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cn1 2318101915 SXRPKWZQTKQGRK-QFIPXVFZSA-N 442.560 2.269 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1C 2330747728 VJXCYZQTSSUJQG-UHFFFAOYSA-N 429.531 2.292 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337201540 WHVLCLLLZKPDDP-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE N#C/C(c1nnc2n1CCCCC2)=c1\s/c(=C\c2ccncc2)c(=O)n1-c1ccccc1 9090878 TZJCXOSINXWQAP-MAIQYKLKSA-N 440.532 2.163 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccc(C(=O)OC)cc3)c2=O)cc1 9612955 CZSLBGXNNBDVSK-UDWIEESQSA-N 431.473 2.111 30 10 IEEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1 20291938 MPWDKAJCZOMPAF-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE CCOC(=O)/C(=C/NC1CC1)C(=O)c1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1Cl 20592074 NKRFDPAZZBYLNF-NTCAYCPXSA-N 436.896 2.382 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc([N+](=O)[O-])c3)n2)s1 58993112 PVMKJBYBTJXHDS-FRKPEAEDSA-N 433.479 2.304 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 109891042 XXLQKOKTCPMEON-IBGZPJMESA-N 436.493 2.362 30 10 IEEE COC[C@@H](C)N/C(=N/N)Nc1ccc(I)c(Br)c1 302315882 DHLVDPHNPGFXDJ-SSDOTTSWSA-N 427.084 2.320 30 10 IEEE CC(=O)N[C@H](CS)C(=O)Nc1ccc(I)c(Br)c1 306003444 JAOQTSXCLPAVDU-SNVBAGLBSA-N 443.104 2.427 30 10 IEEE Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 440189335 GRFOYBAREIEGTI-GOSISDBHSA-N 437.891 2.823 30 10 IEEE CC(C)N1[C@H]2CC[C@H]1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 465362372 CFLKLGIFZVZFFN-SFTDATJTSA-N 444.601 2.433 30 10 IEEE CCO[C@H](C)c1nc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cs1 482450140 LUWLFKSYNAGOMQ-UONOGXRCSA-N 436.559 2.438 30 10 IEEE COc1ccccc1CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488669915 PKTOHQPIDRIJDV-UHFFFAOYSA-N 431.489 2.218 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 491138225 DEGLMSDIJRWLGP-UHFFFAOYSA-N 431.514 2.091 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC=C)CC1 508485956 ANXXGWKXIFOCOA-UHFFFAOYSA-N 426.590 2.489 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(OC3CCCC3)nc2)CC1 513724291 JNAZECZYWVBGBQ-UHFFFAOYSA-N 440.525 2.421 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H](C[C@H]4COCC(=O)N4)c4ccccc43)n2)c1 516202664 GSDSKDVIHZADKD-MSOLQXFVSA-N 427.464 2.393 30 10 IEEE COc1ccc(-c2csc(NC(=O)CN(C)CCCc3[nH]nc(N)c3C#N)n2)cc1 536341818 TVNHNSSBFCCDSA-UHFFFAOYSA-N 425.518 2.499 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 542932942 YGFAKEXUQUZTCK-ZDUSSCGKSA-N 447.538 2.177 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 670215593 LHXZMEMCINTCLW-UHFFFAOYSA-N 438.536 2.228 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)Cn1ccc(=O)c2ccccc21 727001274 HAFNDRPOHYDVLJ-UHFFFAOYSA-N 427.420 2.241 30 10 IEEE COC[C@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730137106 DCEPRPQQZXDAJF-UZLBHIALSA-N 446.617 2.457 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)O[C@@H](C)C2 732464406 WIOMXTDDCJVWLE-HOWMVXLFSA-N 440.500 2.090 30 10 IEEE CCOc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OCC(=O)N1CCCCC1 732650295 MXRZCUCAUOCBBS-HXUWFJFHSA-N 440.544 2.289 30 10 IEEE Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)n1 732706142 GXGPHUYCYKNYOP-SFHVURJKSA-N 436.541 2.382 30 10 IEEE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1 732923063 KVRJGEATYJXRME-UHFFFAOYSA-N 434.949 2.321 30 10 IEEE COc1ccccc1-n1cc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)cn1 744290434 YFFGDRLDPRPRLF-AWEZNQCLSA-N 426.454 2.025 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)S/C2=N\[C@@H](C)c2cccs2)C1 760322446 MLCSRABEALZBLS-QMYVEOQRSA-N 437.591 2.049 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOC2(CCSCC2)C1 771648783 FLEARGAPBKJDDR-HNNXBMFYSA-N 437.587 2.066 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)OC)ccc1F 774171558 QMWBYRBTXAWRPU-HNNXBMFYSA-N 434.489 2.494 30 10 IEEE C#CCN(C)c1nnc(CN2CCN(Cc3ccccc3Cl)CC2)n1C[C@@H]1CCCO1 802684510 AEBZJKSVNNQJNQ-FQEVSTJZSA-N 442.995 2.498 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 803519400 FDHFDFHJEYASAJ-LJQANCHMSA-N 442.537 2.267 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCc2cccnc2OC)C1=O 809945311 MUQWQFRPQGHZFB-QGZVFWFLSA-N 442.497 2.129 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCCOCC)CC1 812196105 XTTLBJDLDVKCBW-UHFFFAOYSA-N 440.504 2.246 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1 814377856 FXEJGVYMUZFBKX-UHFFFAOYSA-N 436.559 2.120 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)COc3ccc(C(C)(C)C)cc3)CC2)o1 914684129 YZZOLBCEOIENKH-UHFFFAOYSA-N 440.500 2.423 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 916777438 AUGSRSIOBBKGIE-LJQANCHMSA-N 443.500 2.125 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc1 1084162784 FNONRSXFXBFFOR-UHFFFAOYSA-N 428.522 2.018 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)cn1 1084643900 GVHFUQRNJDGHPY-UHFFFAOYSA-N 445.597 2.151 30 10 IEEE COc1ccn2c(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)cnc2c1 1125119305 GFNAEGWMSSZWKD-NKFKGCMQSA-N 427.486 2.408 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(Cc4cccc(C)c4)CCO3)cc2C1=O 1132589241 IKNVEBFAZJOSTO-FQEVSTJZSA-N 433.508 2.408 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 1140626081 AQYYBNDMAJBIJA-UHFFFAOYSA-N 433.511 2.468 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)c1 1147236008 YJGYUTSFTYJZNI-LSDHHAIUSA-N 431.432 2.297 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 1159749700 CBTWAAQXTJJKAZ-IAGOWNOFSA-N 435.546 2.088 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 1167535319 OFUNSWIRZSSHQU-UHFFFAOYSA-N 426.494 2.290 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncc(Br)n2C1 1180641047 UIBVAWIBFHRCQL-OLZOCXBDSA-N 425.327 2.383 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cc(I)cc(C(=O)OC)c2)CC1 1202828508 IGTLKNHSIKKAKA-UHFFFAOYSA-N 441.269 2.297 30 10 IEEE Cc1c(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)sc2ccc(C#N)cc12 1211509623 CHJWPZNNKKUMME-CHAGWJKLSA-N 434.568 2.309 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(N)=O)[C@@H]3CCOc4ccccc43)cc2C1=O 1272783571 ASTQZKDGUHJKAJ-LJQANCHMSA-N 433.464 2.310 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286270182 JJKHDBQOWCCBFC-HNNXBMFYSA-N 427.472 2.217 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286358874 RLFTZPDCLRRGRP-BZSNNMDCSA-N 444.536 2.500 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCN(CC)CC1 1286377052 RAXMLOJFZVBEPN-JOCHJYFZSA-N 438.576 2.278 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286384259 HAYWZDGGAPNKMN-HKUYNNGSSA-N 449.621 2.209 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1286470042 RAXQPJJKFQCBPE-NRFANRHFSA-N 436.604 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)N(C)C)CC1 1286492443 LQWHAYURAZPUMY-IBGZPJMESA-N 438.576 2.081 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1286517031 BURRQKGRTILKSU-YADHBBJMSA-N 444.557 2.146 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)C1 1286561200 AIEXCFNEYZTXRN-XMSQKQJNSA-N 425.533 2.425 30 10 IEEE COC(=O)[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccc(O)cc1 1296127593 RIIILAXKYZZQFL-GOSISDBHSA-N 444.285 2.493 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1297013031 CRBFMEZGBSXKKH-SFHVURJKSA-N 440.548 2.493 30 10 IEEE O=C(CCOc1ccccc1I)NCc1ccc(C(=O)NO)cc1 1297054296 LBDYRBQXJMKPKC-UHFFFAOYSA-N 440.237 2.496 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1299433555 FKGSPBMCUYZCDF-UHFFFAOYSA-N 434.504 2.370 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300302990 GVWDZBCJMBNJSJ-QZWWFDLISA-N 430.553 2.333 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1300440306 SWPRHOYHCZEHBA-OAHLLOKOSA-N 439.488 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1300579731 YWXPQFGOABGRAX-VQTJNVASSA-N 439.585 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1OC 1300591431 PQYNDMGZKXMBLJ-UHFFFAOYSA-N 434.525 2.184 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c[nH]nc2c1 1300650307 SONSBUBIPSEQSU-UHFFFAOYSA-N 444.499 2.130 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCC[C@H]1C 1300654591 ADFDQZCXNDYGTR-UZUQRXQVSA-N 426.517 2.353 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300742494 KMSXOOIHOLQVKW-JKSUJKDBSA-N 431.587 2.441 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1300768249 OIHXFWVMHXFMTE-UHFFFAOYSA-N 441.605 2.001 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1300769466 HFCFKMZCSBDPOY-HNNXBMFYSA-N 428.484 2.274 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301000301 QLLYENXQZKFARF-IBGZPJMESA-N 434.562 2.382 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccn2)CC1 1301228976 BUKKIPSXUWGKTD-UHFFFAOYSA-N 438.561 2.352 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301258715 YUCXRJLWBVCQCS-LJQANCHMSA-N 432.613 2.202 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccsc2)C1 1301567144 UPVFMSCLSHSHTR-UWJYYQICSA-N 431.562 2.151 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1301596049 GCFNMFDGTQAKDU-UHFFFAOYSA-N 430.582 2.206 30 10 IEEE Cc1cc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c(C)n1-c1ccc(C#N)cc1 1301925162 YMNTYPQMFACZRP-OAQYLSRUSA-N 440.569 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893683 ZROLDKFPHRYVKE-BMGDILEWSA-N 443.500 2.394 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCS2(=O)=O)C1 1316528697 YWOXVLACAZPCGS-VQIMIIECSA-N 448.480 2.263 30 10 IEEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)C1 1325227425 FHVGIBZOXHKADT-AWEZNQCLSA-N 436.983 2.336 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC(=O)N1 1358876293 HCJFFFUYNABQTP-QWHCGFSZSA-N 432.322 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1358985169 RILSHBLYTVOAOE-HNNXBMFYSA-N 449.577 2.261 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccs1 1359015070 GXTQVLPQGNRNRR-CQSZACIVSA-N 448.549 2.172 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1359055138 UCQZGEVHENYBEO-QGZVFWFLSA-N 435.557 2.199 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359225535 BSAAVXQOKIEWBG-GOSISDBHSA-N 435.536 2.223 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1359226554 HSYZUWWYQIMFEM-SFHVURJKSA-N 440.548 2.157 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(N2CCOCC2)c1 1359281848 LAQGHVANJZKVAB-HXUWFJFHSA-N 427.549 2.306 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359345952 VZIJRJCPZOVYQY-KRWDZBQOSA-N 434.610 2.061 30 10 IEEE CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)o1 1435002483 KHIOLFFUIOBMHD-SOFGYWHQSA-N 436.493 2.465 30 10 IEEE CCN(C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1443760573 NZXYJXJPWXAXLT-KRWDZBQOSA-N 444.598 2.236 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1460071030 KDGPXAVNVZDCGA-RBSFLKMASA-N 446.470 2.443 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 1462099521 UVCMGFWAPDHWNK-UHFFFAOYSA-N 425.470 2.006 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCc1ccccc1 1464218466 LMVVPMMICSBFES-INIZCTEOSA-N 445.969 2.258 30 10 IEEE C#C[C@H]1COCCN1C(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1469135096 FISUTDLBAREDAA-SFTDATJTSA-N 441.553 2.367 30 10 IEEE C#CC[C@@]1(C(=O)NCC(=O)N2CCOc3ccccc32)CCCN1C(=O)OC(C)(C)C 1471843439 IKROYVCHBYROGB-QHCPKHFHSA-N 427.501 2.321 30 10 IEEE C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 1478293322 BCDFSEBFXKMPPW-UHFFFAOYSA-N 433.574 2.400 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCCOC1 1478476052 HMBRVXVKUBGGRI-RWWKDMOOSA-N 430.505 2.302 30 10 IEEE COCCN(C)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1504856467 YUAPYVQMFWIOKY-UXHICEINSA-N 432.532 2.057 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCCO)C1 1505312060 KAEASVJMUWXNIM-OAQYLSRUSA-N 425.468 2.176 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[C@@H]2CCCCO2)CC1 1507718991 JEYAOMFUGWJRRA-XUZZJYLKSA-N 445.608 2.423 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)N(C)C)CC1 1507722552 ZPMXXMJWLYVHPC-HXUWFJFHSA-N 438.576 2.268 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2ccn(C)n2)CC1 1507727634 RFDFEFLYWWNPEA-UHFFFAOYSA-N 433.560 2.205 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2COCCO2)CC1 1507733007 MUHCSGKBOBMGCF-IBGZPJMESA-N 427.574 2.049 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1508077122 XNAUSUKMJIMTEJ-BBTUJRGHSA-N 442.612 2.347 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1508109838 VLDRXVJHKXFILJ-OALUTQOASA-N 430.597 2.416 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCOC1 1508109908 WTLRLVVRAZBXLG-GOSISDBHSA-N 425.533 2.486 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC[C@H]1C 1509682514 FELMJKGESHRXLO-IEBWSBKVSA-N 436.564 2.446 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCC[C@H]1C 1509686332 WETHXOBJDUGAEI-MJGOQNOKSA-N 436.564 2.446 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nnn(C)n2)c1 1518168867 VTKTVWNCKPMDOS-UHFFFAOYSA-N 432.893 2.497 30 10 IEEE COCCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1518951447 MTZOWKGXOIHUBR-LJQANCHMSA-N 439.564 2.438 30 10 IEEE CC(C)n1ncc(C(=O)Nc2nc3n(c2C#N)CCS3)c1I 1521132886 QNDQZXUAPSUKSC-UHFFFAOYSA-N 428.259 2.495 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1529772734 FJRWGNPRDJTLBA-HNNXBMFYSA-N 435.546 2.228 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2(C)COC2)CC1 1539487997 DHXBSYLKGZIQBQ-UHFFFAOYSA-N 435.572 2.456 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1539890247 LBOZBBBBGSSKRT-QRQLOZEOSA-N 437.610 2.450 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1539916596 LOSQENMEPOBFNV-DLBZAZTESA-N 433.582 2.216 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1)C1CC1 1540109725 RUVXIYIXSWICKK-KRWDZBQOSA-N 437.591 2.184 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(CC)CC3)s1 1540513982 BAKPQKSXQWBGDY-UHFFFAOYSA-N 426.589 2.228 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1540865900 VWICGFGTPABVMJ-SFHVURJKSA-N 433.560 2.430 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(N)=O)CC1 1540912464 ZOMRVMPYZSCELR-UHFFFAOYSA-N 429.546 2.337 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540913218 PYQBLSWOBFQELQ-UHFFFAOYSA-N 436.607 2.120 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1541048929 HYMXZBYKLBNKOF-HSZRJFAPSA-N 440.548 2.241 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1541107018 DUXYVSGEWFBXBT-INIZCTEOSA-N 446.577 2.107 30 10 IEEE COc1ccc(-n2ccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)n2)cc1 1542312133 BIQCTYQXDFSXQG-UHFFFAOYSA-N 428.445 2.247 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CNC(=O)c3ccccc32)n1 1546216476 UTAXJINMCGBSBP-AWEZNQCLSA-N 426.527 2.266 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@@H]1C 1547638836 FWHMJCCFYYLBPJ-ROUUACIJSA-N 433.564 2.497 30 10 IEEE CN(CCc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1554261236 VITNRJRXVFENPV-CQSZACIVSA-N 431.543 2.434 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC(=O)N1 1555545986 MNDRSYDQJRAARU-UXHICEINSA-N 438.532 2.323 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457829 QUCFQJLGMXBLNC-MOPGFXCFSA-N 439.516 2.363 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] 1557096932 KOHDNTWIINUTBX-LSDHHAIUSA-N 427.461 2.471 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)s1 1558136767 XVGMGUHJUIRYGL-LJQANCHMSA-N 435.527 2.349 30 10 IEEE N#Cc1cnc(N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c(Br)c1 1559144109 YOVFZFKJALOTMW-ZDUSSCGKSA-N 427.258 2.217 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@@H](CC#N)C3)cc2)C[C@@H](C)O1 1559991785 GXIJUNCQFSIJAF-KURKYZTESA-N 434.562 2.049 30 10 IEEE COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1561844351 GUHUMAKQEODOBQ-UHFFFAOYSA-N 429.498 2.002 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1562949510 JWIGGMKSINJUMY-AWEZNQCLSA-N 434.459 2.003 30 10 IEEE COc1ccc(CNC(=O)N2CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C2)cc1C#N 1565271992 KYMKSXWRDMJTHO-SFHVURJKSA-N 432.521 2.470 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C 1583291476 MAFHEMIEJOPGPJ-GJZGRUSLSA-N 426.510 2.073 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1587603194 HOMKXVPOLWGDFO-QZTJIDSGSA-N 432.528 2.446 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCC[C@@H]2C)c1 1587690059 YFVRHNVXHGJKIY-BXKMTCNYSA-N 447.543 2.286 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1 1588280167 HMOPEDBIWQVUBT-IEBWSBKVSA-N 445.589 2.206 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1589216792 XSHHXHWZBFVQJI-NNMXDRDESA-N 433.622 2.437 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1589305483 RLDYEIFVJRTCBN-HUUCEWRRSA-N 442.358 2.112 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589546145 PDIGGEUAWWZZGX-YLJYHZDGSA-N 427.553 2.337 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1594732548 GCCUWJCUFXVWBI-MRXNPFEDSA-N 439.582 2.121 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1595418555 NMMPUBCJLNFOHL-UHFFFAOYSA-N 437.592 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C)C1 1595772606 FFGHGTJGYGUCIS-CQSZACIVSA-N 440.953 2.433 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1597707845 SHYIHOQISSLRHW-WORKWWTESA-N 443.529 2.478 30 10 IEEE C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCc1ccccc1 1611366840 IDODWKJQYAKPAC-HNAYVOBHSA-N 434.452 2.011 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1611740667 KBBZZLHLIPMQNJ-JCGIZDLHSA-N 442.495 2.201 30 10 IEEE C#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)cc1 1616908436 PKCTYOIUZXEUIP-UHFFFAOYSA-N 426.494 2.494 30 10 IEEE CCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(C#N)C1 1617186048 VPJJWSVRLLXMBC-HXUWFJFHSA-N 431.566 2.405 30 10 IEEE CNC(=O)[C@@]1(C)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1618244848 RQYLMHWNFHAOCZ-JPYJTQIMSA-N 426.517 2.377 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C[C@@H](C)O1 1619753869 FVZQXAKLBSMDTH-QFUCXCTJSA-N 441.532 2.395 30 10 IEEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1620038105 HURZXGASYUQQHC-QFIPXVFZSA-N 442.495 2.030 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(N)c1 1623494042 AHHLWBHCPZXCQS-FQEVSTJZSA-N 430.505 2.224 30 10 IEEE Cc1nc(SC2CCCC2)sc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136695 MUPSZTBTGFKJSC-SCLBCKFNSA-N 425.601 2.426 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1631450308 PIWMWFXBKZKQPT-HKUYNNGSSA-N 431.533 2.259 30 10 IEEE C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1635421748 XDEJKWBYXWRCMT-JQHSSLGASA-N 431.537 2.220 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1636782010 CQXGCAKZCFHFNA-VGSWGCGISA-N 429.521 2.064 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCN(O)C3=O)C2)c2ccccc12 1637667736 ILKLWXXFQWARSP-HNAYVOBHSA-N 425.485 2.197 30 10 IEEE CC#CC[C@@H](CO)NC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 1639841178 ZYPNHYILDPQKPM-KRWDZBQOSA-N 436.350 2.452 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CS(=O)(=O)c3cccc(Br)c3)C2)c1 1641584299 FMFVXRQEHXODEK-UHFFFAOYSA-N 434.315 2.417 30 10 IEEE COc1ccc(N2CCN(C[C@H](O)CN3CCC(c4ccc(C#N)cn4)CC3)CC2)cc1 1655170582 YFYHMIRNQQNVDA-HSZRJFAPSA-N 435.572 2.324 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 1662964291 CGJYCLZPPFNAIN-UHFFFAOYSA-N 435.420 2.458 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C1CCOCC1 1665155700 DUBOXCLABBBFIJ-MRXNPFEDSA-N 441.347 2.065 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1670709351 GCVIKDMDYJLBMC-CQSZACIVSA-N 429.336 2.065 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)NCc3ccc(C#N)s3)C2)C(=O)C1 1673781021 XGVMLMNXCZTFGF-HNNXBMFYSA-N 447.561 2.373 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1675287106 PBOWBCPMXAVCSE-HXUWFJFHSA-N 446.960 2.224 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2cc(I)cc(C(=O)OC)c2)C1 1675928911 UUHHPWPEHMVDIL-AWEZNQCLSA-N 441.269 2.297 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2)c1 1679938690 CZOIDUXYCYLFDS-SFHVURJKSA-N 436.516 2.081 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)nc1 1681193691 ZENJMKHNWUMVFM-SFHVURJKSA-N 439.495 2.110 30 10 IEEE O=C(NCCC1CS(=O)(=O)C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1681664165 ZOGMKHXLNUFUPO-RKDXNWHRSA-N 444.344 2.234 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(Cl)cc1 1686918272 IPJHMXJBOIVMCN-MSOLQXFVSA-N 426.970 2.268 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(C(N)=O)CCOCC1 1689848091 OLHSXHYAHFUMDT-MRXNPFEDSA-N 434.500 2.340 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689882907 PXCVHCJAZCAQGF-QGZVFWFLSA-N 430.530 2.143 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1689893155 VQEPAUXJTDIBPV-NHCUHLMSSA-N 442.585 2.432 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1689991829 DCEVTVFLSBZHNI-REWPJTCUSA-N 442.585 2.373 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1690070914 KGXJNEMKFORCJM-IBGZPJMESA-N 447.543 2.085 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@](C)=O)CCC2)CC1 1690117486 JFNJDQAEMJKYQB-PMERELPUSA-N 427.574 2.010 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCOC1 1690223114 DYHJKYAEZBXAMB-CQSZACIVSA-N 445.325 2.302 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@@H]1CC 1690670996 NDCHFYHQPHZWPH-HKUYNNGSSA-N 438.580 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1690720619 NUCUEIULNRYLCS-HNNXBMFYSA-N 436.509 2.074 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2cc(F)cc(C)c2C1 1690724042 GRIYUWHOEVCVAR-KRWDZBQOSA-N 434.537 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](SC)C1 1690724154 JCVLTCDFKWIOED-DLBZAZTESA-N 428.624 2.495 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690753006 XLSCCFDKTSWJFP-WKRCXCSHSA-N 438.594 2.306 30 10 IEEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1695368644 TYBKMGJVRFTXGN-FQEVSTJZSA-N 448.637 2.432 30 10 IEEE CCOCc1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCN(CC)CC2)nc1 1696242365 LDDRADRMJHEYJK-SFHVURJKSA-N 426.569 2.138 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1698007766 RQQQCVKNAAUCQX-KRWDZBQOSA-N 440.548 2.221 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1705549833 JWCYEXDYNPDAFX-UHFFFAOYSA-N 428.456 2.065 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705639137 HBTTVUIIMIBGJI-XZOYJPPVSA-N 439.560 2.343 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCCC2=O)CC1 1705641095 QCOZPXQATYXQPB-UHFFFAOYSA-N 438.551 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOCC)CC1 1705705926 NDCOUVHVRZADEU-GMAHTHKFSA-N 440.592 2.404 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1705713477 HOOUTPKXIGCTKL-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705905103 JUQCDDALZKMSJU-MRXNPFEDSA-N 431.924 2.214 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2occc2C)C1 1705922094 FYGCWFNNGDYKTB-QGZVFWFLSA-N 437.504 2.238 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1705980922 BMVZXPLAIOFTFC-UHFFFAOYSA-N 448.474 2.417 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CN(CC(C)C)CCO2)n1 1707814131 FHVGSMWUTOYJCS-XLIONFOSSA-N 428.585 2.092 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](COC)C1 1709908599 BVQGUEXNKGGKBV-SFHVURJKSA-N 426.521 2.070 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1711146675 BPYAEUOYFCNFPM-QHAWAJNXSA-N 441.532 2.274 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1F 1712842158 GRQRBEMVEQMSHY-AYBZRNKSSA-N 447.536 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1722296570 RTLQNZJRBHLITL-QAPCUYQASA-N 443.552 2.135 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722374290 WYZQDCCPCOLFLN-KKUMJFAQSA-N 431.484 2.255 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(-n2cncn2)c1 1722417138 WZCVMDJLUGZUNW-UHFFFAOYSA-N 446.540 2.358 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOCC1(C)C 1722423616 KAMSGYCQMQYGPI-UHFFFAOYSA-N 432.956 2.190 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCOC2)CC1 1722433744 FKXMYCCQEGBKBT-GOSISDBHSA-N 425.533 2.144 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722434391 PBBBXXDSVKICHO-QGZVFWFLSA-N 447.992 2.179 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722506850 GPTFZZOFIPIAOR-UFYCRDLUSA-N 431.581 2.458 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722548904 VVRKLNKHJVKKPB-HNAYVOBHSA-N 431.972 2.025 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@H]1OC 1722680961 DWPKHKKSLQPYFN-UIFIKXQLSA-N 444.532 2.481 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722698501 GGDLSUUEGFGIMH-PMACEKPBSA-N 430.597 2.177 30 10 IEEE CC(C)Cc1nnc(N2CCC(OC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723301814 KQKJFMODKFLXHO-QZQOTICOSA-N 430.553 2.397 30 10 IEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1726732427 DYWDJNUXMHDQFX-UEXGIBASSA-N 435.532 2.045 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1726738273 AURUVGYWNBBLMQ-DPHDRGAJSA-N 442.907 2.350 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCOC1 1729566570 GCFDGPQZAYADRU-DZGCQCFKSA-N 435.326 2.201 30 10 IEEE CO[C@@H](CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1729860405 XDYAFYSWIPAWHG-KBPBESRZSA-N 430.456 2.330 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](F)COC 1740561265 ZRKQFWGUHOHYEH-UXHICEINSA-N 428.556 2.085 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740593281 CNPITNMMGLHECU-IBGZPJMESA-N 435.553 2.390 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1740618886 LERFWXQDBLZULK-CMKODMSKSA-N 444.557 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCS(=O)(=O)C1 1740658960 RVQJTCQMQXLZDL-IBGZPJMESA-N 435.553 2.179 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1740660154 IAZYVWSGMSZDMZ-QGZVFWFLSA-N 442.951 2.236 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740720269 ZJJLCMNISKMHTK-IEBWSBKVSA-N 430.574 2.484 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740753832 ACMHINOXNAFTFU-IFMALSPDSA-N 438.576 2.137 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740956345 PJTPJAPHHHAWPX-UHFFFAOYSA-N 440.445 2.270 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740963362 IOWCEYGLSLTSRL-MOPGFXCFSA-N 443.548 2.016 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1741698448 BFPCYVAGRWXZDJ-CZUORRHYSA-N 436.438 2.497 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCCCO 1741962602 JEXUPNUWHGJCQT-CRAIPNDOSA-N 435.525 2.402 30 10 IEEE C[C@H]1CCCCN1CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1743060194 AUOSPHKOYBQMRQ-AVRDEDQJSA-N 431.560 2.497 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCC2(F)F)CCOC1 1746733015 DINBFDNXPLPGPF-JTDSTZFVSA-N 425.480 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1748689640 FXBSMPUOXXTIPD-YESZJQIVSA-N 432.569 2.279 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1748923025 QSEIVARNKREFCK-UHFFFAOYSA-N 433.516 2.312 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccsc1Br 1748960891 QJSQYPZMFARFLN-CYBMUJFWSA-N 438.351 2.188 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749235999 YGPUDRNWAWPKJI-HXUWFJFHSA-N 440.552 2.044 30 10 IEEE C=C(Cl)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749281874 NMQCJUJOTDNUFR-IBGZPJMESA-N 447.001 2.475 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(N)=O)CC1 1749455402 UXFVONUYPIHCSY-UHFFFAOYSA-N 435.532 2.425 30 10 IEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O)C1CC1 1749508658 WGSNEJLWVCGRCJ-UHFFFAOYSA-N 445.593 2.228 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1749755824 MDVCFXARLYAMGZ-QGZVFWFLSA-N 443.639 2.299 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@@H]1CCOC1 1750644943 AJFGKEXHQWMICV-LJQANCHMSA-N 425.537 2.190 30 10 IEEE C#CCCCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1760159343 DARXOIIHAMQEJN-HSZRJFAPSA-N 425.533 2.376 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760178550 RIGLFAYVHICTMA-SFHVURJKSA-N 437.466 2.498 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1760189385 UDGQSMPIOJTTFH-PKOBYXMFSA-N 432.546 2.405 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(N3CCOCC3)n2)CC1 1760383762 YIBYZBDHUFJWSN-LJQANCHMSA-N 442.564 2.438 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CCN(C)C)CC2)CC1 1760404939 OBBQVWZCWDHGNS-UHFFFAOYSA-N 443.640 2.077 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C)C1 1760449752 TWSMCJBBOPJNEJ-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC(C)(C)C2)cc1 1760529503 ADGKSFKFNPMWKH-MRXNPFEDSA-N 449.577 2.117 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)N2CCOCC2)CCOC1 1761285824 OSLKSSAIEJRTDD-UEVCKROQSA-N 446.596 2.169 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(c2cccc(F)c2)CC1 1761462975 CTPOHOFFTGVCCT-CABCVRRESA-N 434.541 2.498 30 10 IEEE CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1762363746 KAOQNRAAAJGMDT-GVDBMIGSSA-N 434.541 2.204 30 10 IEEE C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)C1 1763108546 ZEUHTGBJBSJHHO-MEUCICPISA-N 438.536 2.077 30 10 IEEE COc1cccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1768848200 DRXKSFLEQNYDMT-BRWVUGGUSA-N 447.561 2.252 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)COCCO1 1771113194 MFMZWVAIYGZCEU-JBYIUTFZSA-N 435.569 2.369 30 10 IEEE N#Cc1cn[nH]c1C(=O)OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1851920565 GUQIIOBIDCEVDE-UHFFFAOYSA-N 428.802 2.328 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N=C1NN(c2ccc(Cl)cn2)C[C@H]1C 1851976741 FMCYXTNDVACUEH-NEPJUHHUSA-N 439.900 2.127 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)[C@H](C)C2=O)cc1C#N 1857105709 FRNVSBVUDZPRKA-OAHLLOKOSA-N 429.473 2.209 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 1861663644 OMVGCIMTJSCURM-QKCSRTOESA-N 431.714 2.134 30 10 IEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862481546 GEVMFVVYUULCSN-IBGZPJMESA-N 439.424 2.323 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(F)cc2F)CC1 1866867241 NQQJXZZAZOZGHW-ZWKOTPCHSA-N 448.495 2.419 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN1CCN(C)CC1 1870424614 NEODUPMFJASLDA-UHFFFAOYSA-N 440.544 2.116 30 10 IEEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873593212 JLUZPLOVHCHWNT-UHFFFAOYSA-N 448.575 2.020 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874309033 AMXKEUURDZWJFQ-FSJBWODESA-N 439.497 2.230 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)CC1 1889405699 XGIIRDUYQROACE-RUZDIDTESA-N 439.600 2.417 30 10 IEEE COc1ccc(N2C[C@H](C(=O)NCC#CCN(C)Cc3ccccc3)CC2=O)cc1OC 1890949370 IJXWJRATGJFPHG-HXUWFJFHSA-N 435.524 2.308 30 10 IEEE C#CCOCC(=O)Nc1cc(I)cc(I)c1 1987398089 ZTWRIIJAACTEFE-UHFFFAOYSA-N 441.006 2.484 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2009979856 ODXXOUPGKCXEPY-HUUCEWRRSA-N 441.525 2.167 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2054380563 GTDJZORFYDPCRC-YUMQZZPRSA-N 447.195 2.299 30 10 IEEE CN(C)CCN(CC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)C(=O)OC(C)(C)C 2060636981 FLHWVCFLUBPMGL-HZPDHXFCSA-N 437.390 2.336 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C 2242691078 JLIYMQQMUYKWJQ-CVEARBPZSA-N 427.542 2.334 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)C1 2247556394 NSJQBPHHUNGTTG-QWHDWNGZSA-N 431.455 2.209 30 10 IEEE C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247777396 MLTAYZSISAJWKS-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255617840 WUEQUDLBNLVDSB-CQSZACIVSA-N 434.346 2.228 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 2255806798 KHMSFXISIARCSO-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)OC2(CCC2)C1 2255858175 OIRBSGZBPMIAAM-INIZCTEOSA-N 434.342 2.296 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CC1 2255876977 SRHZRBAQTRBVAE-UHFFFAOYSA-N 433.358 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256621828 ZJMYEQCTFSBXFW-WMLDXEAASA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]1(C(=O)NCc1cnc(B3OC(C)(C)C(C)(C)O3)s1)C2 2256671818 YJZNBNVLJREFDP-IPVJXJPOSA-N 449.382 2.458 30 10 IEEE COC[C@@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2256673075 BCFCYVXYUFQREP-CQSZACIVSA-N 435.330 2.249 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258233848 AFDBMVKKOBVXFK-LLVKDONJSA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259927154 UWDKJMHLMURSEI-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CCCN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267138829 XOTFJHKIKXGKQT-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]12 2267188344 KWFGMMLRXPUSHI-ZIAGYGMSSA-N 447.316 2.115 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267197720 NVMFIZIZGTUMJF-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2267500427 ITPUQLJJRQHMHY-KBPBESRZSA-N 447.316 2.115 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267514538 APUNHMMRFHYTIB-JKSUJKDBSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267520729 MGJLDHYOAIGHNX-HUUCEWRRSA-N 448.373 2.155 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267543439 GGGOPAJFRWPUFZ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267589528 BIRYOYZQBJBJFU-UHFFFAOYSA-N 449.357 2.042 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268677540 URKFBULRVOCQGJ-HZPDHXFCSA-N 447.341 2.249 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2278736512 AYEQBJYMHMNIJB-JTDSTZFVSA-N 425.323 2.043 30 10 IEEE CCOc1ccc(C=CC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1OC 2323230196 VUXIWCBOHLHPLO-UHFFFAOYSA-N 440.456 2.328 30 10 IEEE COc1cccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 2327904296 BZFYMHNYDICAOY-AWEZNQCLSA-N 433.534 2.073 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2329045164 SXRJHYVMLYUOAQ-HNNXBMFYSA-N 432.506 2.267 30 10 IEEE COc1nc(N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787847 GYGZLSHNOYSIQT-STQMWFEESA-N 443.275 2.283 30 10 IEEE NN[C@H](C#CC1[C@@H]2COC[C@@H]12)c1cc(I)ccc1Br 2341638712 XUBHEVVEWVEVQB-SGMGOOAPSA-N 433.087 2.454 30 10 IEEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(C(=O)OC)c2)cc1 10011788 MRDBERIFZLMGBU-UHFFFAOYSA-N 433.511 2.064 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1N 21319805 JIYBDPOXPYAWCF-SSDVNMTOSA-N 439.501 2.380 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1 102757653 AMXZOFBSVJWCMC-LCPUNJGISA-N 426.517 2.419 30 10 IEEE COC(=O)[C@@H]1[C@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13 118916700 DDHQRXOAZNEFKY-XUGMQHIBSA-N 430.497 2.095 30 10 IEEE CC(C)Oc1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1C(N)=O 433691972 XVOLVXKMWUCHEV-IBGZPJMESA-N 435.484 2.367 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 446111148 GTPFGHDQJZOYRV-MRXNPFEDSA-N 441.509 2.070 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CC(=O)N4CCN(C)CC4)c3)cc2C1=O 471493125 KRLCASUGOPZNNF-UHFFFAOYSA-N 446.507 2.037 30 10 IEEE N#C[C@@]1(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCc2ccccc2C1 474652556 DNRZYJONQBHKHW-WIOPSUGQSA-N 428.492 2.030 30 10 IEEE COc1cc(OC)c(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 487062273 SAXUIJKOBMQTNZ-IBGZPJMESA-N 438.484 2.184 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3=O)C2=O)cc1 487499141 LKHNADBTEHOCQB-SFTDATJTSA-N 431.496 2.154 30 10 IEEE COc1ccc(Cn2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)cc1OC 490228924 DUHPRSJXRPFXAY-UHFFFAOYSA-N 432.484 2.178 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2csc3ccccc23)CC1 508838622 ONFURMAYRAVNBR-UHFFFAOYSA-N 447.563 2.468 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508863878 LSYAEDBTOJFKBC-GOSISDBHSA-N 446.515 2.312 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 532265974 KVEDBHPVNFIULC-UHFFFAOYSA-N 436.455 2.236 30 10 IEEE Cc1c(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cccc1N(C)C 540584157 CRMBJPNMRPLHJP-UHFFFAOYSA-N 445.527 2.388 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccc(C)cc2)CC1 549217203 CLZOIHVTRGNYEK-HXUWFJFHSA-N 425.533 2.142 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)s1 562307798 WCLAGXUGBZPRAN-CQSZACIVSA-N 430.551 2.031 30 10 IEEE C[C@H]1CN(Cc2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@@H](C)O1 585709853 NEYAKSLLDIVSQK-CALCHBBNSA-N 438.503 2.239 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 609694332 KOWZPDWQENNTCA-NZQKXSOJSA-N 433.512 2.266 30 10 IEEE CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)C1 610178314 WXRLOYZBVKDFSQ-UTKZUKDTSA-N 432.590 2.148 30 10 IEEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 610793805 OLKDOGYTCNNXAY-CYBMUJFWSA-N 432.477 2.029 30 10 IEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 619740924 IQRYJPIBHSFILI-PGRDOPGGSA-N 433.560 2.382 30 10 IEEE CC1CCN(c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2[N+](=O)[O-])CC1 732152421 BBUXBYADDSYVOH-XUTLUUPISA-N 427.461 2.087 30 10 IEEE COc1ccc(CNC(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1C#N 746773575 XESVXXYPTCMGBH-HNNXBMFYSA-N 428.493 2.075 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 756889362 DGRHAUFDAXLVDG-GXTWGEPZSA-N 447.435 2.469 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(C)(C)[C@H]2CCCCO2)C1=O 758648040 ZWPOJRJGMALJJO-IAGOWNOFSA-N 446.573 2.448 30 10 IEEE CCc1cnc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)s1 758753024 OCLVMEPURCXPBD-ZBFHGGJFSA-N 434.566 2.296 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(CC)c2)C1 760305003 PCSAZBXMNWDXEX-IRXDYDNUSA-N 431.562 2.120 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)CCn3c(S)nnc3-c3cccs3)CC2)n1 761225413 HGCPXBSNPVCVMI-UHFFFAOYSA-N 425.543 2.301 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n([C@@H]3CCOc4ccccc43)c2=O)c1 763457788 HDUUNLCRILYRFC-HXUWFJFHSA-N 445.544 2.492 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1=O 770113472 WYEOMWLTLRMXSQ-RPBOFIJWSA-N 446.507 2.338 30 10 IEEE N#Cc1c(F)cccc1C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 778696100 CMXITARBNBJEDL-UHFFFAOYSA-N 445.472 2.069 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CCCC#N)C[C@H]2CCCC[C@@H]21 779255766 HMMYWIMWYBHIPK-NJAFHUGGSA-N 433.530 2.218 30 10 IEEE CC1(C#N)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 780779438 DRHHODSMHPBTJP-IBGZPJMESA-N 433.306 2.368 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 789246866 YIGPHZWEBWUIQT-PKOBYXMFSA-N 433.553 2.320 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccnn1-c1ccc(F)cc1 789968880 RTTNBNWZOPVMDY-AWEZNQCLSA-N 440.508 2.488 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2cc(C)ccc2C)OC[C@H]1C)c1cc[nH]n1 789988019 YRGTVMLFEARMSL-VQIMIIECSA-N 428.489 2.299 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)n1 790105404 YYHGOMLTIZGFQM-UHFFFAOYSA-N 426.473 2.312 30 10 IEEE COCCN(Cc1sccc1Br)C(=O)CCN/C(O)=C1/N=CC=CC1=O 791909981 WQKWSKMOQMGCBR-MSUUIHNZSA-N 442.335 2.402 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CC#N)CC2)c1 797538310 GEVMQOMPNGDGPC-BWAHOGKJSA-N 445.545 2.028 30 10 IEEE COCCCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 800706282 AHDIEPCANIKQRR-YAYALQBYSA-N 430.549 2.386 30 10 IEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802578006 HJJXHLZWYUSLLV-BTCOZLQPSA-N 440.500 2.383 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 803519814 JPZXQWVLNQQYTR-FQEVSTJZSA-N 427.526 2.064 30 10 IEEE C#CCC(CC#C)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 803700696 ZSCZJVCUXYRYKX-UHFFFAOYSA-N 446.525 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2CCCOCC)CC1 812203090 QPRVOPPVHFINRM-NRFANRHFSA-N 437.544 2.347 30 10 IEEE CN1CC[C@H](C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 849583056 QZVPFPZRWSGGDP-OALUTQOASA-N 426.952 2.329 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCNC(=O)c3cccc(O)c3)CC2=O)cc1Cl 1137471749 ZERSQJYWPXMLEI-INIZCTEOSA-N 440.887 2.206 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1141017342 HRUMCGLYCWVAGD-FQEVSTJZSA-N 439.537 2.468 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1 1169917341 HNMQWKOSHRWMMN-UHFFFAOYSA-N 444.557 2.330 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCCN(c4nc(C)cc(O)n4)C3)n[nH]2)c1C 1177876214 WBAZXYOKEBWAAY-INIZCTEOSA-N 436.520 2.279 30 10 IEEE C#CC[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)C1 1197221684 WIWPHQNSGMBSSV-DLBZAZTESA-N 433.530 2.137 30 10 IEEE CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1198336959 NTNQFIQXHSRNMZ-PTSWNOGYSA-N 437.518 2.398 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1286348509 KQVGEDFELWWMQX-GOSISDBHSA-N 447.543 2.193 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1286399397 GDRDCIMVTUZACA-DLBZAZTESA-N 430.505 2.065 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C)C(C)C)CC1 1286486168 BNGFTRQCWORHBR-UHFFFAOYSA-N 438.576 2.260 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286705248 VSEKXARZKISFCH-LSDHHAIUSA-N 431.459 2.263 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1286712482 ZYHKHMFNPACICL-KRWDZBQOSA-N 434.537 2.475 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCOC1 1286741143 GZLBRSYPXPDCHO-DEOSSOPVSA-N 430.512 2.480 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CC[C@H]1C2 1286780495 WLLNSOMNVAIPCO-HOCLYGCPSA-N 427.505 2.262 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1286796579 NJEMLCUWRCZIHI-LJQANCHMSA-N 440.548 2.247 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCc4ncc(Br)n4C3)cc2C1=O 1289711432 HOROUXUQEGJOJU-GFCCVEGCSA-N 429.274 2.172 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1297206334 AWFGFAMSQRRZNN-QAPCUYQASA-N 430.475 2.208 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1297361324 HLOVAHHHDYLOSA-GOSISDBHSA-N 446.577 2.009 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1297586407 JIORDYFEMMOOLN-QHCPKHFHSA-N 440.548 2.066 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 1300301834 XLHZZMJTRGZQRX-QGZVFWFLSA-N 426.469 2.225 30 10 IEEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300394428 RBFUOHCHNGVCFQ-CQSZACIVSA-N 447.312 2.474 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300501575 MHFJDMJBLQOPRO-PMACEKPBSA-N 428.558 2.245 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1300601887 LFEYWHOCSYMEGW-INIZCTEOSA-N 447.609 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCSC)CC1 1300732140 XUKNQHCOVUCJOL-UHFFFAOYSA-N 443.621 2.249 30 10 IEEE COc1cc2nc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)c(=O)n(C)c2cc1OC 1301183047 UBIFEVOYXZSLBH-UHFFFAOYSA-N 433.468 2.237 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N(C)CC)C1 1301534457 BFHPETTWVISBIN-LJQANCHMSA-N 440.548 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@H]21 1301593592 QEWKAYXEOQANNC-IRXDYDNUSA-N 432.546 2.455 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1304590042 PKWYRGAKGHHQPW-UHFFFAOYSA-N 434.504 2.059 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)c1ccc(Br)cc1 1309532220 RNOJPHLVWPWMDF-INIZCTEOSA-N 443.344 2.010 30 10 IEEE C#CC1(NC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)CCCC1 1310051227 SOHAXONRMTXMFG-MRXNPFEDSA-N 433.530 2.328 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1314054520 IYPMEDIGHMQPDH-IEBWSBKVSA-N 438.532 2.259 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1314494750 AKYOCHCYBHNJRM-UHFFFAOYSA-N 434.548 2.180 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315255435 UULIYEMOIVZMDZ-OEAGWNGGSA-N 430.553 2.398 30 10 IEEE COc1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1315581461 IJYHEUOHVUPRTH-UGKGYDQZSA-N 427.505 2.104 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1316528695 YWOXVLACAZPCGS-LPHOPBHVSA-N 448.480 2.263 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1358875226 LGGHZPJEDUZPMN-KBXCAEBGSA-N 437.342 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1358889984 JSFOZMJELGMAGX-DZGCQCFKSA-N 447.565 2.253 30 10 IEEE C#CCCCn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1358935894 WTTFSZDDZAKQDA-WMZHIEFXSA-N 432.565 2.366 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1358936893 ASBBQDMXOJJGMI-IKGGRYGDSA-N 429.487 2.488 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1358969745 VRTBQQYIQCPVGE-IRXDYDNUSA-N 430.505 2.065 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)SC)CC1 1359046316 NGGCLTHDLNWVMN-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1359138925 HLIKWENBFIGSAN-XUVXKRRUSA-N 426.517 2.246 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359207272 FQAALLVFRQQABN-UHFFFAOYSA-N 430.475 2.277 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(C)=O)c2)C1 1359312660 ZBSKEBOTXMFXNL-IBGZPJMESA-N 426.521 2.204 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1359326780 JMYBKEPLSNAIAK-UHFFFAOYSA-N 447.609 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1359334266 YXRMWTLJSHGLBU-NRFANRHFSA-N 434.537 2.226 30 10 IEEE CC(C)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1359596477 LBQGEFYYRZUVAR-JKSUJKDBSA-N 434.541 2.204 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)c1 1459806998 QFHFSHGWWPNRDG-UHFFFAOYSA-N 448.523 2.156 30 10 IEEE COc1ccc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCCC1 1462354347 FBVSTNDARUCXJR-LJQANCHMSA-N 425.510 2.249 30 10 IEEE CCC(CC)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(OC)c(OC)c1 1469694680 QGTIMSLXNSKZIE-HTAPYJJXSA-N 449.573 2.341 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccsc4C#N)CC3)C2=O)cc1 1470098235 FGTUESGEKHQQHV-JOCHJYFZSA-N 437.525 2.044 30 10 IEEE COc1ccc(Br)cc1Cc1nnnn1CC(=O)NCc1cccc(C#N)c1 1472995839 BZJSNXIEURELCY-UHFFFAOYSA-N 441.289 2.223 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1476289010 IZDOWBTZRPOCHL-PBHICJAKSA-N 427.505 2.436 30 10 IEEE C#C[C@@H](NC(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1)C1CCOCC1 1479007694 MOAGOVJPSLZYEX-WOJBJXKFSA-N 433.936 2.310 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NC(C)(C)Cc1ccc(C#N)cc1)CCS2(=O)=O 1479524176 GZOAQUKHNJXNTL-WUZYXKQASA-N 447.557 2.078 30 10 IEEE CCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1500880130 DSGGUDSQABCFSS-HNNXBMFYSA-N 429.525 2.476 30 10 IEEE COc1cc2c(cc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)O[C@H](C)C2 1504132582 DKVCOVUMLGLHAL-JLCFBVMHSA-N 442.495 2.239 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1504668919 DIKNEXKDHLNFTQ-TZIWHRDSSA-N 441.532 2.397 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCC1 1505145941 BRWBBEWQNXTJDP-UHFFFAOYSA-N 432.550 2.048 30 10 IEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCCO2)CC1 1505325474 IBIACRFVIMTEOY-IBGZPJMESA-N 430.553 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1507539111 RFBQLGHRPBQKLR-ICSRJNTNSA-N 435.638 2.396 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCc2ccccn2)cc1 1507620551 IEAJNLCYVKXAHR-UHFFFAOYSA-N 430.512 2.492 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507640637 UUMMEDXBCITNIH-RTWAWAEBSA-N 442.585 2.115 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(OC)c2OC)CC1 1507739828 KXPOJNDQKZTNOK-UHFFFAOYSA-N 437.544 2.262 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507964677 DXQOCMJETZNZKJ-QHCPKHFHSA-N 443.596 2.033 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C2CCOCC2)C1 1508140975 KSOTVQXIJJXWGS-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)c1 1510710886 FBHIAXVPANWIIJ-QGZVFWFLSA-N 426.521 2.106 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCC2=O)cs1 1511530189 NDTYMZFSFVQMHC-FQEVSTJZSA-N 431.541 2.478 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1518764443 GTNIWIDMIWGUPQ-OALUTQOASA-N 428.512 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cnn(CCN2CCOCC2)c1 1529438565 HSPGYJRVUNVBMH-GOSISDBHSA-N 434.541 2.131 30 10 IEEE CC(C)(C)OC(=O)Cn1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1529961084 BXOCHOWCMCGCIT-ZDUSSCGKSA-N 444.879 2.136 30 10 IEEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 1532549725 UZXRPRHBMOBHCA-UHFFFAOYSA-N 446.511 2.071 30 10 IEEE N#Cc1c(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)nc2n1CCOC2 1537680211 ULCOKEBTAGGAAW-UHFFFAOYSA-N 433.266 2.198 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1540907989 OCCGKKGKLXGVMC-LJQANCHMSA-N 448.593 2.152 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1 1541815123 CQYWAKLBSWNLDO-AWEZNQCLSA-N 425.518 2.128 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)cc(N2CCCC2)c1 1542978214 KBOLEGCUYBOKQN-HTXNQAPBSA-N 433.306 2.306 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(SC)CCN(C)CC2)CCOC1 1547883106 DVAYCXYJVGNOIM-QFIPXVFZSA-N 448.637 2.498 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1548246419 CARXJWCZTYBDLN-QUCCMNQESA-N 438.532 2.118 30 10 IEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)COc1ccccc1 1548369278 ULMGXOOXFMXYRR-IBGZPJMESA-N 446.429 2.419 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552414645 CTIIFHHENXUEBC-SSEXGKCCSA-N 426.502 2.150 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1CCN(C(=O)OC)CC1 1555726942 AJAPTQYAAJXFKJ-NJAFHUGGSA-N 434.541 2.076 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 1556611876 JBKOABYXGWGHLN-MRXNPFEDSA-N 446.378 2.485 30 10 IEEE C=CCc1cc(CNC(=O)N2CCN(CCc3cnccn3)CC2)cc(OC)c1OC 1563814734 KLNKUNRBRIXTSR-UHFFFAOYSA-N 425.533 2.292 30 10 IEEE CN1CCN(Cc2nc3cc(N/C=C4\C(=O)Oc5ccccc5C4=O)ccc3n2C)CC1 1565518561 RJTJUGBXBVAVFD-JXAWBTAJSA-N 431.496 2.418 30 10 IEEE C=CCc1ccc(OCC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c(OC)c1 1587249302 NISWMQXUPHYIBY-BGYRXZFFSA-N 434.492 2.446 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588050831 VRBZCDYWSHWXMP-SFHVURJKSA-N 444.557 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)Br 1588128808 SZPZQAIMFZKNCL-UHFFFAOYSA-N 426.221 2.066 30 10 IEEE C#CCN(CC#C)c1nnc(C2CC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588128834 UCUPITQCOBLHPP-CEXWTWQISA-N 425.533 2.253 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1589427633 TUDPHVDSUQJQHZ-CRAIPNDOSA-N 447.381 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1589528381 GBGLVAUOSQZIDD-NQIIRXRSSA-N 441.580 2.355 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1589568272 IPGNQVSTNUSWJF-URVUXULASA-N 433.597 2.344 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C 1595467296 RDEAIKZMCKHSKF-AWEZNQCLSA-N 448.980 2.105 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1595639616 DYUFACLSRQTNIF-IBGZPJMESA-N 449.559 2.420 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595866454 LOBJYWNFWWKELF-HKUYNNGSSA-N 431.610 2.145 30 10 IEEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c(C)c1 1615577592 JBPIQDRYROXVET-LEWJYISDSA-N 429.561 2.286 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1619423568 UQVPKNRNWHJJNR-VQTJNVASSA-N 441.532 2.192 30 10 IEEE COCCOCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1620062844 IFZMMCQGWQTJOO-QFIPXVFZSA-N 444.511 2.070 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)c3ccccc23)n1 1622097061 LTRFSEUMUKUMFX-UHFFFAOYSA-N 441.509 2.293 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)[nH]2)c1 1635917345 ZLMJKFWNEGODIM-QUCCMNQESA-N 430.386 2.376 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 1639963100 TWANWGGPCNWHRL-ZWKOTPCHSA-N 433.555 2.355 30 10 IEEE C=CCCC[C@@H](C(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1639974994 NWDYKOWUADJLHF-GOSISDBHSA-N 438.532 2.419 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1640701954 PXCPKSWUSWCMMU-IAGOWNOFSA-N 428.489 2.147 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(OC)cc3c(OC)ccnc23)cc1 1644856682 MXVZSRFVSLNDQG-UHFFFAOYSA-N 425.466 2.416 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1Cl 1653515225 GXDWMMXJIMXGPJ-UHFFFAOYSA-N 435.893 2.296 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NCCn1cc(Br)cn1 1655268774 HMIQMLMEOFDFOX-UHFFFAOYSA-N 434.113 2.258 30 10 IEEE CN(Cc1cnn(C)c1)C(=O)CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655767379 NIPCGYRDOKVWTJ-PHIMTYICSA-N 434.331 2.481 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)CCOCC1 1657026341 HRWZZPGLRGDCHC-UHFFFAOYSA-N 449.356 2.311 30 10 IEEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(C#N)cc2)CC1 1659828331 BXSPPWFLIHIAAY-INIZCTEOSA-N 435.484 2.188 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)C1CCOCC1 1664579748 GVPFGVNVMBILPX-INIZCTEOSA-N 449.356 2.167 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)nn1 1665452169 WQFCDDOHLJYAHM-UHFFFAOYSA-N 425.308 2.470 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2)c1 1677685174 BYJFZQLIWCANQP-HSZRJFAPSA-N 425.577 2.465 30 10 IEEE N#C[C@]12CN(C(=O)NCCc3ccc(Br)cc3Cl)C[C@H]1CS(=O)(=O)C2 1681577627 ODNQXYYYLKGOKG-BLLLJJGKSA-N 446.754 2.225 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1689863116 NARRYIFXRUVHRA-HXUWFJFHSA-N 438.576 2.096 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1689893300 XGYMQSJNIGNLOQ-QGZVFWFLSA-N 446.577 2.233 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1689908174 YOHIRCHXGUHGIZ-HBFSDRIKSA-N 429.565 2.301 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689988788 WJSYJZOFIRCHFW-FGTMMUONSA-N 428.562 2.188 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1690017793 LXHBFYJFIQTDDA-PZJWPPBQSA-N 433.560 2.076 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccn(C)n1 1690088380 JXSCWPLPJRADSC-HSZRJFAPSA-N 438.507 2.491 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCC1 1690103624 FDRQLBJBXVPDLQ-IBGZPJMESA-N 442.585 2.388 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](COCC)C1 1690163602 KYJVMIDDLXQEPM-QGZVFWFLSA-N 438.561 2.150 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCC(=O)N(C)C 1690558262 JVEXJJLEGMZRHN-UHFFFAOYSA-N 449.559 2.447 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1690594560 ADMFDCHWBGWTJO-GOSISDBHSA-N 429.546 2.365 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1690645991 DFMJWXCXKXCYAU-UHFFFAOYSA-N 435.507 2.350 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1690673170 QHSXLLHLWVKERV-FQEVSTJZSA-N 426.540 2.375 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C)C(=O)C2)cc1 1690679070 KBMZGYSZGZFVKH-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cs1 1693352400 KZSBUPXHFQGNRG-GHTZIAJQSA-N 447.584 2.433 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(OC)CCOC2)c1 1697302448 CJIXXRCXCRXMNB-RTWAWAEBSA-N 431.468 2.210 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1697713782 AOSXBOXIOXITQV-QHCPKHFHSA-N 438.532 2.117 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)c1 1705504454 WZAYRIVAZDWEIO-QMHKHESXSA-N 425.533 2.172 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705536316 NCXPTDHYBITKBX-FQEVSTJZSA-N 449.603 2.247 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1705846003 OQGUYACCQKELJL-UHFFFAOYSA-N 439.582 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCc2cccs2)CC1 1705900298 YGLLFAIVTHDSJM-UHFFFAOYSA-N 437.573 2.069 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1706750974 CNEKBCPAIGBAEQ-MRXNPFEDSA-N 443.577 2.411 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1706750990 CTYLJOGSQDEOFC-HOTGVXAUSA-N 429.529 2.380 30 10 IEEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1706788936 CCRACAHNSPBLEV-LJQANCHMSA-N 447.591 2.213 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C)(C#N)CC1 1711015502 DHHJSQNYAAFMLN-UHFFFAOYSA-N 440.548 2.425 30 10 IEEE CN(c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1711042157 IJEOLBGRTCGRDT-RAJOGRCSSA-N 444.586 2.399 30 10 IEEE COCCOc1ncccc1Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1712582091 DABKNWHRMDJOGR-NRFANRHFSA-N 448.527 2.261 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCCC2=O)c1 1722342561 RMAMZZPYTPMQHP-UHFFFAOYSA-N 429.484 2.170 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722357232 VGFOHVZUJNSOCR-CALCHBBNSA-N 444.605 2.227 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722525371 DNVADSYIWIBQQP-QFIPXVFZSA-N 431.544 2.189 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1728802197 HABPJIWZXHRIFV-AYOQOUSVSA-N 425.480 2.484 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740597382 STGSDEQULPQZCC-AUSIDOKSSA-N 429.565 2.323 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625107 DAAMHAXCISJVFI-PMACEKPBSA-N 435.638 2.224 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCCC2)nc1 1740630602 CNOINGHLRYYZTF-VWLOTQADSA-N 448.571 2.435 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 1740690248 HUYMPPXKNNNDOP-WZONZLPQSA-N 443.523 2.118 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COC)CC1 1740761974 BCEJYHVQGLAKFI-NQIIRXRSSA-N 445.589 2.207 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2nncn2C)CC1 1740819109 DPUUNOVHZLMXBC-UHFFFAOYSA-N 425.493 2.304 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC)C1CC1 1740909498 NWISAJFLXCXQSN-UHFFFAOYSA-N 435.532 2.263 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740956470 SOEIUGMLEQAVPX-UHFFFAOYSA-N 448.575 2.002 30 10 IEEE CCc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)n1 1744746448 CKJMEFYWHAQAIY-UHFFFAOYSA-N 438.561 2.328 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1746419368 FUXDTLYLIDEYBV-RBUKOAKNSA-N 434.610 2.185 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCSC1 1747623334 HROCOKZPWVPVDT-KRWDZBQOSA-N 426.546 2.041 30 10 IEEE CN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747752158 VWJCRFFMFNMBAG-HNNXBMFYSA-N 429.477 2.469 30 10 IEEE CN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747752159 VWJCRFFMFNMBAG-OAHLLOKOSA-N 429.477 2.469 30 10 IEEE COc1cc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1748528139 GWXWPQYCVCFJOA-GOSISDBHSA-N 447.499 2.214 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 1748709898 AGURCFQDDKWPQD-OAQYLSRUSA-N 442.608 2.362 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748808483 DAAKCDQKPZZPQZ-IBGZPJMESA-N 428.558 2.389 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1748824285 NAQJCAMETLXCDN-IAGOWNOFSA-N 434.587 2.369 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1Cc2ccccc2O1 1748948592 SMBXTDNMLFTCCP-SFHVURJKSA-N 432.484 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(CC)CC)CC1 1749009228 GWTGTFBVXRVYMZ-FQEVSTJZSA-N 430.597 2.217 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1749284195 HKAWETAEYGEMMC-OAQYLSRUSA-N 447.971 2.416 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1751090242 ZJBLSIUJWDTXGG-CYBMUJFWSA-N 432.326 2.458 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1760162426 SOOZHLJASVHYQJ-KRWDZBQOSA-N 430.553 2.132 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3cc(C)ccc23)CC1 1760252540 RERSZUJJYSEMQO-UHFFFAOYSA-N 433.560 2.204 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)C 1760501101 HASJQQPJNGQCSH-UHFFFAOYSA-N 433.516 2.433 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1760527181 OFPLKCJGEMCTQD-HXUWFJFHSA-N 449.559 2.444 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558354 MWPOWCPBGKSWKG-PXNSSMCTSA-N 426.583 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1760558579 SWFMVWDPDOHWQA-LJQANCHMSA-N 441.557 2.078 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760772473 UDHVQVREQRBZDB-MJGOQNOKSA-N 449.559 2.084 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1761546736 GOQPLJBZQCFOJJ-QZTJIDSGSA-N 440.523 2.395 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 1761903828 HGGAWVJLYHQZQM-UYAOXDASSA-N 438.580 2.330 30 10 IEEE CC(C)c1nnc(N2CCN(C3CCC3)C[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763060392 RGBCEKJUEAJDDR-WXVFVKJXSA-N 441.580 2.239 30 10 IEEE CCCNC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@]1(OC(C)C)CCOC1 1766267173 UZZKXVUFUILPEH-QHCPKHFHSA-N 440.548 2.353 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1766427245 AHQILKXNIQMGPY-KRWDZBQOSA-N 432.525 2.111 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1766817300 LPWVHYPTSILSNR-BKBKCADHSA-N 436.516 2.477 30 10 IEEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1769886365 WYJPJPIMSFJPFG-WOJBJXKFSA-N 438.532 2.133 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC[C@H]1C 1770659123 UBGSCGHLHMVFLZ-ZWDAVXSWSA-N 443.573 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCOC2)[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772794173 BQWUDZJFXMXTDC-KSFYIVLOSA-N 430.457 2.405 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1 1851054056 RKCGLYNIEOZTRW-UHFFFAOYSA-N 432.528 2.242 30 10 IEEE CC(C)C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(CCC#N)CC1 1852649842 PDVOMTQBCXSKIH-QGZVFWFLSA-N 426.970 2.091 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1Cl 1854674612 FMKVUIFMMGEUBF-ZDUSSCGKSA-N 447.900 2.282 30 10 IEEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855080756 HMIPEEYPNUTJKA-QZTJIDSGSA-N 430.574 2.081 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cc(F)cc(F)c1 1856222678 VBJSROGZVMKQQN-ZDUSSCGKSA-N 433.436 2.039 30 10 IEEE C[C@@H]1CC(=O)N(C(=O)C2CC3(CCOCC3)C2)c2ccccc2N1S(=O)(=O)CC#N 1857457835 XLBOAXSZLVCVLX-OAHLLOKOSA-N 431.514 2.205 30 10 IEEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(C)cc2)C1=O 1863260703 CHVPXYRBGVRYKL-UHFFFAOYSA-N 439.493 2.198 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C)c(C)c2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870005039 VAXJVHCUMSRPQJ-GOSISDBHSA-N 429.546 2.107 30 10 IEEE CC(=O)Oc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870154260 UWOBXNDMPMFLIS-UHFFFAOYSA-N 445.483 2.068 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622521 SGGOPDGUOVPLIJ-IBGZPJMESA-N 437.548 2.495 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCCCC3)SCC(=O)N2C2CC2)cc1 1889326785 XVMVERQYOWGTHC-DHIUTWEWSA-N 441.597 2.448 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)s1 1889507966 FDHPDFMUPDEQSF-UHFFFAOYSA-N 439.647 2.256 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1F 1891048368 NKMFSZCGEKKWQL-UHFFFAOYSA-N 446.421 2.323 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)C#CC(C)(C)S(C)(=O)=O 1901304301 MWQVCPTYEYQWKA-SFHVURJKSA-N 436.574 2.407 30 10 IEEE C[C@H](C#N)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1962360575 VGXYMTBVYXUMBQ-CQSZACIVSA-N 432.543 2.181 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2006227755 GSCULSNTZZCAHZ-LBPRGKRZSA-N 427.361 2.229 30 10 IEEE C=C(Br)CS(=O)(=O)NC1(COC)CCN(C(=O)OC(C)(C)C)CC1 2006230971 KJWVIOWBGCBWOC-UHFFFAOYSA-N 427.361 2.231 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2006267533 SQQRMCXEUDNPEZ-GFCCVEGCSA-N 427.361 2.229 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2014248194 QWTDISUOLIKPGB-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2023913523 YHSUCRKYOCOTFO-DEOSSOPVSA-N 429.561 2.389 30 10 IEEE C=C1[C@@H]2CC[C@@H]3[C@]45CO[C@](O)([C@@H](OC(C)=O)[C@H]4C(C)(C)CC[C@H]5O)[C@@]3(C2)[C@@H]1OC(C)=O 2060315985 GLBRPJYMFLHADY-GBSGVOFLSA-N 434.529 2.338 30 10 IEEE CN(Cc1nc(=NCc2occc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1)C(=O)OC(C)(C)C 2065558752 PIPGRPYKJDILQJ-UHFFFAOYSA-N 433.318 2.098 30 10 IEEE COC(=O)[C@@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2124533733 FNWMWCYNFRESNS-MRXNPFEDSA-N 448.325 2.381 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124536001 YQPFISNOQKUBEM-IEROGBPDSA-N 444.341 2.408 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 2247571274 IWURHOSAISIXCB-BXFSZVDSSA-N 437.537 2.045 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCO)Cc3ccccc3)c(F)c2)OC1(C)C 2247880442 FMOYTPZQALINDD-UHFFFAOYSA-N 435.326 2.308 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905714 JQOPSKKLSGMXMX-AGIUHOORSA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(=O)O)C1 2255352129 XRUIAQCDVHOXRX-OAQYLSRUSA-N 434.298 2.224 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255539594 BDZJJSPAWJHUQG-GASCZTMLSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2255874956 PAHQUKORBASBAM-JLCFBVMHSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256023858 UFCCJKZFIXWCPG-JOCHJYFZSA-N 433.358 2.352 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256681512 MFVRBFUHUWZFIQ-IRXDYDNUSA-N 435.374 2.374 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258973474 KNUUPQOEOYFXJQ-IRXDYDNUSA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267097658 QUFYBRDJXWUFJL-FICVDOATSA-N 446.357 2.084 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267159937 MSBYEBZAPFTANO-QFBILLFUSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267263502 GXCQRPBLOVRMHG-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267490483 OVNWSRWJGPLPOL-LJQANCHMSA-N 439.365 2.125 30 10 IEEE Cn1cc(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267503455 DIWMBIKACWFMPQ-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267760046 PGISMSIFUBSCNJ-CYBMUJFWSA-N 448.325 2.136 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873045 NBRQZPOMIALXAF-IBGZPJMESA-N 436.365 2.370 30 10 IEEE CCOC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2268636707 GNOZBEABJZOBAY-UHFFFAOYSA-N 447.341 2.345 30 10 IEEE COC(=O)C(C(C)=O)=C1NC(=NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 2293198472 WXIAPMVGZLNEON-UHFFFAOYSA-N 438.436 2.376 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2296291758 RXYJBRWYMPLZIP-FGTMMUONSA-N 439.350 2.385 30 10 IEEE CC[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2315536054 BJKXZDCYCOMYMG-CQSZACIVSA-N 436.362 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)n1C 2315631619 UPOHKULBTRBXCI-STQMWFEESA-N 436.362 2.059 30 10 IEEE NC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330184980 AFVGBWCIRMYGSA-UHFFFAOYSA-N 426.458 2.137 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330935603 OIRFQWDOCQHTTH-OAHLLOKOSA-N 434.478 2.244 30 10 IEEE COc1nc(N2CCC[C@H](NC(=O)C(F)(F)F)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2339785216 PZJSZLFCRYIPSE-ZDUSSCGKSA-N 443.275 2.427 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2366839176 YPZPLEVSWWJPDE-SWLSCSKDSA-N 439.306 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2c(Br)cccc2C#N)C1 2379813761 OAWSMXPBLGWLOP-MRXNPFEDSA-N 435.322 2.492 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCCC(=O)NCc3ccc(OC)cc3)n[nH]2)cn1 59832235 IBPCMWWRTJUFNZ-WSDLNYQXSA-N 440.533 2.440 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)NCC#CCOc3ccccc3C(N)=O)n(C)n2)c1 90743872 MJPCSMPOBYKUIY-UHFFFAOYSA-N 448.479 2.015 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1 102743308 WVNJQHOFJVFLTN-HQMFNGAOSA-N 444.919 2.434 30 10 IEEE COc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2C/C=C(/C)Cl)cc1OC 254481547 YIGNKAHPQQXKBV-FVUZMLRTSA-N 432.868 2.441 30 10 IEEE CCCCOc1cccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254696992 HYSBNZPIZJDCSW-HZPDHXFCSA-N 440.543 2.332 30 10 IEEE COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(C#N)cc2C)c(O)nc1=O 439862110 UAVCXFUHIFIECK-UHFFFAOYSA-N 433.468 2.205 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)c([N+](=O)[O-])c1 440987802 HVPDTVMVEOCUJK-UHFFFAOYSA-N 449.533 2.160 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cn1 461292171 OHBQSLHBOAIZCA-KRWDZBQOSA-N 436.497 2.178 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(Br)cc3O)C2=O)cc1 506864831 CHCMMZSROLFPNO-KRWDZBQOSA-N 428.286 2.486 30 10 IEEE Cc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c(C#N)c1C 511842526 GFYAUGZMCRMUPE-UHFFFAOYSA-N 448.574 2.012 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 513778095 HNXYRCFRXZBIDO-UHFFFAOYSA-N 435.484 2.154 30 10 IEEE Cc1c(NC(=O)[C@H](C)SCC(=O)NC2(C#N)CCCC2)c(=O)n(-c2ccccc2)n1C 517829263 AJMIRBGVHKIZIQ-INIZCTEOSA-N 441.557 2.497 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)CC1 540464008 NQUZUWOSJBBWEP-HXUWFJFHSA-N 443.617 2.181 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)n1 546169410 SSKUJBWCWJPOON-AWEZNQCLSA-N 427.867 2.447 30 10 IEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1nnnn1C 549700425 YQMCQVQBCFAXJX-UHFFFAOYSA-N 433.314 2.356 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)n(Cc2ccccc2)c1C 551049108 XRYGCKXUMFXSPK-LJQANCHMSA-N 432.532 2.342 30 10 IEEE N#Cc1ccc(NCC(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)nc1 557880684 FSOBDIVFRSTKNB-KNQAVFIVSA-N 432.455 3.072 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)ccc1C 559921049 HVWYHNWIZBZSCN-UHFFFAOYSA-N 445.544 2.057 30 10 IEEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 562195468 CXSXIWGDIQFXGX-LYBXBRPPSA-N 438.532 2.256 30 10 IEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 578383250 IADNFFBCWUWARV-SFHVURJKSA-N 449.559 2.162 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 583840807 PIPZPYKQELIOTR-RHSMWYFYSA-N 435.525 2.060 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N(C)CCOCc1ccc(C#N)cc1 589005609 ZYWXIZPXEDUAHU-IBGZPJMESA-N 445.545 2.412 30 10 IEEE N#Cc1c(CCCNC(=O)NCCNC(=O)c2ccccc2)nn(-c2ccc(F)cc2)c1N 603806664 ZYLZSAXSOAOULD-UHFFFAOYSA-N 449.490 2.127 30 10 IEEE COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1S(=O)(=O)NC1CC1 610058828 UATTYNFUPYKEFP-UHFFFAOYSA-N 441.918 2.462 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 611089760 QEBAHLBKFJJCIL-UHFFFAOYSA-N 426.542 2.202 30 10 IEEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)n1 612731189 DSMPZUSQOLWEQT-UHFFFAOYSA-N 443.467 2.131 30 10 IEEE N#C[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 619753580 IDLCOHQBDPVPDJ-GOSISDBHSA-N 431.905 2.493 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 669805409 JGJSRTSDHSTOLG-KRWDZBQOSA-N 432.550 2.013 30 10 IEEE C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669150 JYAHQNWQAIOAIZ-BEFAXECRSA-N 447.564 2.090 30 10 IEEE COC[C@@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 730137140 DPWDZLXZUCYNHI-YJBOKZPZSA-N 438.569 2.416 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@]1(C)CCOC1 733075330 IZOQVXSBMBNWID-XMSQKQJNSA-N 432.590 2.421 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@H]1CCN(CC(F)(F)F)C1=O 735705037 FWECHYJKFGIPBS-VIFPVBQESA-N 443.325 2.476 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(CCCc2ccccc2)cc1 737305291 GMKSKQPQGOJTFM-FCQUAONHSA-N 446.507 2.443 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)c3cc(Cl)c4c(c3)OCCO4)cc2C1=O 740159278 ZHOTZKZGNYDCLV-KRWDZBQOSA-N 442.855 2.357 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C(=O)C1 741186168 PBLHLZFGCHRTAY-UHFFFAOYSA-N 442.516 2.007 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2cnc[nH]2)CC1 751431868 WUYLXAUFYBTTPN-KRWDZBQOSA-N 429.546 2.269 30 10 IEEE O=C(O)C[C@@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757473986 GCPVALUZXGZYQQ-QGZVFWFLSA-N 448.475 2.231 30 10 IEEE COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)cc1 758563897 GTVCEAUVHOLHRX-INIZCTEOSA-N 445.500 2.174 30 10 IEEE COc1cc2c(cc1C(=O)Nc1ccc(S(=O)(=O)/N=C3/CCCN3C)cc1)OCO2 758956764 YHZYBDXQYZTXTK-QOCHGBHMSA-N 431.470 2.489 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760409849 WEMSHKSIOLMSQI-UHFFFAOYSA-N 426.560 2.331 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccn(C)c3)c2=O)cc1F 763459666 BDJQYYCRJNHOLK-UHFFFAOYSA-N 437.496 2.257 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCS(=O)(=O)CC1CC1 764844130 GPLHRXQUFLONCY-SFHVURJKSA-N 449.598 2.420 30 10 IEEE CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccn(C)n2)c1 765547761 PFKGFERRMJGEPG-GOSISDBHSA-N 445.545 2.485 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 768228367 QTKMGRLUBJZKNT-QGZVFWFLSA-N 431.493 2.089 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@]1(C#N)CCc2ccccc2C1 771588532 DJJKEZUPQFAIJG-WZONZLPQSA-N 426.517 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 774226145 LNDDAKRXRCFUBB-UHFFFAOYSA-N 449.529 2.144 30 10 IEEE N#CC1(NC(=O)COC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CCC1 784239681 JWQGFROACTWBOZ-KRWDZBQOSA-N 426.300 2.472 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 786847914 DRTRKNVFHPEKOP-VHEBQXMUSA-N 439.921 2.324 30 10 IEEE C#CCn1ccc(CN(CCOC)Cn2c(=O)oc3cc(F)c(Br)cc32)n1 788369028 FCLMFZWDUGDUDB-UHFFFAOYSA-N 437.269 2.432 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(N2CCCCC2)C1 794210651 USYKQNLIIQNYKJ-FAFZWHIHSA-N 432.590 2.273 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 804455804 ZSRPQPPOZQDADE-WIYYLYMNSA-N 441.509 2.499 30 10 IEEE C#CCn1ccc(CN(CCOC)c2c(Br)cccc2S(C)(=O)=O)n1 804674755 UXPOSKOAAPNRKJ-UHFFFAOYSA-N 426.336 2.335 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC[C@H]2C1 817744519 LMIKSZZGMYZWBB-XBRXAHEZSA-N 432.521 2.008 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@H]2COc3ccccc3O2)c1 916694047 QCQMOHIULLKCLM-XGTYDZQNSA-N 444.513 2.461 30 10 IEEE COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 919318053 AZYDEDITFQGXAV-JKSUJKDBSA-N 444.509 2.291 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccccc3OC)n2N)c1 1084150593 VTNWXBQJZTVABD-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc1O 1084394195 LCPUJNQTDWJOGU-UHFFFAOYSA-N 441.517 2.500 30 10 IEEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1141459146 UTGGTUZHIRSYGJ-RBUKOAKNSA-N 449.596 2.119 30 10 IEEE N#C[C@@H](NC(=O)COc1nsnc1N1CCOCC1)c1c(Cl)cccc1Cl 1144004242 VKPZVGODRHQZQO-GFCCVEGCSA-N 428.301 2.441 30 10 IEEE CCNC(=O)c1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)s1 1149714989 UHOPWNLEKKRDGU-LLVKDONJSA-N 434.543 2.262 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1150423638 NPFLUYGQTGOTGQ-UHFFFAOYSA-N 443.525 2.089 30 10 IEEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1F 1155205300 PQTDFAKHTHCEHU-UHFFFAOYSA-N 444.257 2.194 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CC1 1214216212 SGJQJNPHLRHQTC-UHFFFAOYSA-N 431.562 2.157 30 10 IEEE COC(=O)c1nc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Cl 1234024389 SMDJCLICLFRSNG-QGZVFWFLSA-N 441.875 2.388 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(CC)cc2Br)c1 1264809685 QLOYUCKUJDBAKD-UHFFFAOYSA-N 445.317 2.152 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(O)(CC)CC)c1 1286308883 FGNVYDFGCHODNJ-UHFFFAOYSA-N 435.532 2.286 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)CN1CCOCC1 1286409073 MNVBFGRTKYEMQV-SFHVURJKSA-N 427.499 2.188 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2cccc(C)c2)CC1 1286469298 DBVLUEWAHMDBTE-UHFFFAOYSA-N 438.576 2.339 30 10 IEEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1286530834 FRKDESKOHKSCGA-UHFFFAOYSA-N 444.131 2.271 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286562291 JVRCSSNQBKHQGL-SRYPRDQNSA-N 433.597 2.442 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1286703168 DEHSMMTVMNGTDC-UHFFFAOYSA-N 429.594 2.454 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)[C@@H]1CC 1286711065 HLLCCSFLROLBIS-FQEVSTJZSA-N 435.532 2.438 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1286789014 MUAOHHURGNIOAR-KRWDZBQOSA-N 442.520 2.345 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)C1 1286809763 LABZJWQXKZJYDI-WOJBJXKFSA-N 425.533 2.295 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1287271037 JHSOGRJHQQJHAO-SFHVURJKSA-N 448.531 2.364 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)COCCO2)CCOC1 1288296243 LCSYQJOHAIOLOM-YADHBBJMSA-N 433.553 2.254 30 10 IEEE C=CC1(CC(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CN(C(=O)OC(C)(C)C)C1 1290885552 SZNAVVXMJPXRKW-OAQYLSRUSA-N 428.489 2.493 30 10 IEEE Cc1noc(C)c1[C@H](C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1290911133 PGKKSEOQGLYODS-FXCLAUTBSA-N 444.536 2.456 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1293718922 BCXLPASOGDBADD-RTRPANQVSA-N 444.561 2.165 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)OC)c1 1300330483 AXYLUQCIHQJXDE-GAJHUEQPSA-N 441.532 2.021 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1300340331 XKJZKCNMJQRUDO-FHWLQOOXSA-N 437.610 2.335 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCC2)nc1 1300591285 OKZDPJJZKMKRHU-UHFFFAOYSA-N 445.571 2.297 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCSCC1 1301349258 MFZZAWICCVHEOJ-IBGZPJMESA-N 426.590 2.471 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301502575 KTPGLTAWPOGODZ-UHFFFAOYSA-N 430.597 2.254 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2COCCO2)C1 1301566376 POKFMWYWYZAUNN-ROUUACIJSA-N 430.505 2.062 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1 1301589670 WCDHNOIUUHHZSU-MRXNPFEDSA-N 426.583 2.167 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCCc2ccccc2)CCO1 1303005080 WQJFOLDUVZRTAA-LJQANCHMSA-N 436.541 2.018 30 10 IEEE N#Cc1cnc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(F)c1 1306909766 HYJVLSJQXLYUSC-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1308138351 XFOMZMHFNWPHNF-MRXNPFEDSA-N 427.517 2.228 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 1313114161 RIAUUWJNQYZPBK-QZTJIDSGSA-N 433.553 2.462 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1)S(C)(=O)=O 1313799123 OAZUJOYAZSHFLS-LJQANCHMSA-N 446.577 2.104 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(C2CC2)C1 1314522109 DTAXLUYXXNXCSD-GOSISDBHSA-N 442.589 2.172 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1316531264 RAGQLQPCXQBYQQ-NFBKMPQASA-N 437.523 2.496 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H]2CCOC2)CCN1C1CC1 1335740055 MITRHSQNFSTCRX-CDXJDZJCSA-N 436.516 2.004 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1358934394 ZVVXYHRWBVDGAU-KNQAVFIVSA-N 434.544 2.299 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cnn(CCOC)c1 1358989912 UCHNVHHZMJZWLW-UHFFFAOYSA-N 432.484 2.028 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1359056616 IHKIQPCEJWYJLD-JKSUJKDBSA-N 428.649 2.124 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359104108 YBRCGWTUMNNROE-YXTQBTIXSA-N 432.565 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCc2cnccn2)nnc1[C@]1(OCC)CCOC1 1359105060 JGORFAJGEVHRHM-LEDOBFOHSA-N 442.564 2.380 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)CC1 1359165656 TYLPQDDMWSJURG-MSOLQXFVSA-N 449.552 2.158 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCOCC1 1359277877 YRTMPSKKLSKFSY-IBGZPJMESA-N 442.564 2.168 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1359294049 IVKJTUSTOFUKTC-AWEZNQCLSA-N 439.969 2.160 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359333910 NROJKDMWQUPMIK-PKOBYXMFSA-N 447.580 2.282 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1359472160 GZTQGSWQNHLVHX-IRXDYDNUSA-N 447.584 2.467 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1359476510 GINWRFYJKVFBGJ-CVEARBPZSA-N 433.557 2.252 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1360062679 LLEKDWAHLXYCST-UNEBPCJRSA-N 430.553 2.254 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 1360327393 UKTYMWIOYQVVOT-HNNXBMFYSA-N 429.322 2.155 30 10 IEEE CC(C)(CNC(=O)COc1cccc(Br)c1C#N)[C@H]1COCC12OCCO2 1436661124 HKJMYXGHNRSAEC-MRXNPFEDSA-N 439.306 2.231 30 10 IEEE CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C#CCO)c3)cc2)s1 1448944188 SJHMKOMWGDUFDW-UHFFFAOYSA-N 442.522 2.497 30 10 IEEE C=CCOCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1453979990 CEPQTVCSENJSQE-UHFFFAOYSA-N 444.326 2.068 30 10 IEEE C#CCOCCC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1456563238 SXZRSYFEHOGACT-UHFFFAOYSA-N 439.553 2.343 30 10 IEEE C[C@](O)(CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1Cl 1460883435 RBOCYOSWMCDORW-KNXALSJPSA-N 433.755 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1462002507 WWHBGLRKASJSIF-WOJBJXKFSA-N 445.564 2.376 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1464925245 NGPPDZWJMQADMG-PCYKQNFTSA-N 437.418 2.297 30 10 IEEE CCOC(=O)c1c(NC(=O)NCCS(=O)(=O)Cc2ccccc2)c(C#N)cn1CC 1466880452 FFAXPJXHFSZHRR-UHFFFAOYSA-N 432.502 2.293 30 10 IEEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1471519107 IJQMQVAVAPWJGK-AWEZNQCLSA-N 426.477 2.025 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(F)nc2Br)cc1S(=O)(=O)NCC#N 1472024434 NVPHZBGQUODQCK-UHFFFAOYSA-N 441.282 2.024 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1 1478012823 BCNQIDIKIUUEHO-HZPDHXFCSA-N 430.306 2.352 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCCO1 1478479662 RTEMJFSRBQGWPR-SKDZVZGDSA-N 425.323 2.089 30 10 IEEE C=C(C)CONC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1478908358 KYYZZLWGNJHETD-AWEZNQCLSA-N 432.340 2.409 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1504814845 FHDCQBIWJNKPST-FQEVSTJZSA-N 440.548 2.174 30 10 IEEE CON(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1505092422 OZFABMMWLVWXMD-HDRCJFCASA-N 430.440 2.081 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1507516076 ARMDSKLPAKBIKR-HTAPYJJXSA-N 433.553 2.255 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507528192 LVDTXKVDRQXKBN-QZTJIDSGSA-N 438.557 2.414 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507565777 FBPBPKGPLAHAPI-UHFFFAOYSA-N 444.605 2.318 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1507625253 HXEZZPCKNHFYBJ-KRWDZBQOSA-N 437.363 2.218 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507631800 GGXZLWUDLMBIEL-MOPGFXCFSA-N 446.548 2.181 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCSCC2)CC1 1507727091 GRQLFPYLWVRXEF-UHFFFAOYSA-N 438.645 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCNC(=O)C1CCC1 1507796281 AARCWBFZDRKFGN-ICSRJNTNSA-N 439.564 2.459 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1507820048 ADDXFWUSRVFYTP-MRXNPFEDSA-N 432.550 2.122 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507955435 YQBRAKJAZGOXNA-KRWDZBQOSA-N 447.609 2.288 30 10 IEEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508010540 XHQLBKHJODKNSF-QFIPXVFZSA-N 442.585 2.476 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1508425849 CLVDOZRKGBMKKN-OAHLLOKOSA-N 435.525 2.417 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1517271260 AXKONHISZHXZSX-UHFFFAOYSA-N 446.559 2.398 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1518714645 DEMCCKGSALTKDX-MRXNPFEDSA-N 447.561 2.025 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCNC(=O)C2CCC2)c1 1521075952 RNTGXCBGFXPIRN-SFHVURJKSA-N 449.559 2.215 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 1526861415 ZMHKFHCQFOJOEH-UHFFFAOYSA-N 442.397 2.459 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(Cn3ccnn3)cc2)c1 1527211836 YLDQJAZASZNWTN-GFMRDNFCSA-N 438.513 2.392 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCC2)CC1 1539434925 XYPQOOQJZNYYIT-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE CN(CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)S(=O)(=O)c1ccc(Cl)cc1 1539478680 GMSIIACCVQLIDY-UHFFFAOYSA-N 444.904 2.111 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2ccccn2)CC1 1539875235 VAKVENGLCGCDEL-INIZCTEOSA-N 433.582 2.188 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 1539967292 PTMKDEPMRSSSLX-ZACQAIPSSA-N 443.639 2.298 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540510724 HKXLGKGCHDQVFO-DOTOQJQBSA-N 445.520 2.002 30 10 IEEE C=CCn1c(N(C)CCS(=O)(=O)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861057 ZUCRJBWJHDAROC-GASCZTMLSA-N 427.571 2.106 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1540873799 KEQZURUPGFDEPS-UHFFFAOYSA-N 437.548 2.091 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1540901435 DHHUBLRWPDTJEB-FQEVSTJZSA-N 428.493 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cnc(C)s1 1540905692 YWXAEAYOVOOIIV-UHFFFAOYSA-N 432.575 2.266 30 10 IEEE Cc1cnn([C@H]2CCCN(c3nnc(C(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)c1 1542819684 RFFYGBMCHVXMKM-JLUOLNIDSA-N 438.536 2.274 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1545894169 QRALMIGTPPOXBY-PKTZIBPZSA-N 441.580 2.337 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1546829090 YJQRJHQPNZXBCW-MRXNPFEDSA-N 436.520 2.324 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1547771065 GDQQWAZIEOODKZ-SBUREZEXSA-N 439.564 2.465 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCC2)C[C@H]1O 1554545228 KESFAOCLHXUPKG-QZTJIDSGSA-N 441.557 2.463 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOCC(F)F)C1 1555986270 GZLGOGVJJWZJKI-SFHVURJKSA-N 442.467 2.383 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccnc(OC3CCOCC3)c2)c1 1565724720 YXBGUDOUVSGLKJ-UHFFFAOYSA-N 433.461 2.006 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1Br 1566303827 FYPRZLMLUCZOMC-UHFFFAOYSA-N 444.285 2.390 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1588049246 CVKPIFAGJFHLME-KRWDZBQOSA-N 433.578 2.231 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(C#N)s4)C3)[C@@H]2C1 1588148483 KSXDKRZATCUOCX-CFVMTHIKSA-N 432.502 2.274 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cnn(-c2ccccc2)c1 1588628405 ICGSAGQEMJUJDC-UHFFFAOYSA-N 428.500 2.250 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)Oc2ccccc2)CC1 1588733024 KGNJCAQLSHLLPM-IBGZPJMESA-N 438.576 2.419 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1594627035 QUJUMYZKRCJPKO-ROUUACIJSA-N 426.583 2.167 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1594813097 ODAVVDWFADQSJX-PKOBYXMFSA-N 445.568 2.339 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1594819503 FUKGBYVTILZAFM-LJQANCHMSA-N 440.548 2.026 30 10 IEEE C=CCNC(=O)Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595595504 WVZFFAVNLOHQNC-IBGZPJMESA-N 443.470 2.320 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccco2)C1 1595798451 PNTQWNQBAIKYNX-MSOLQXFVSA-N 436.534 2.291 30 10 IEEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCOCCS(C)(=O)=O 1613954119 PGGFYANWHWWADB-UHFFFAOYSA-N 429.546 2.067 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 1615333142 WMQNXAKHUILCKE-MRXNPFEDSA-N 431.493 2.319 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCSC2)C1 1617385436 AZGDJEVBAKSFBD-HXUWFJFHSA-N 446.602 2.089 30 10 IEEE COC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1619731168 SMLPCIYTRJBSFE-WVBUVRCRSA-N 445.520 2.072 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)(F)F)n2)C1 1620345488 CRJNFUJFVGOTEB-GOSISDBHSA-N 437.401 2.418 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1cc(I)cc(C(=O)OC)c1 1623392010 SABSEDSTJYQJSU-UHFFFAOYSA-N 429.258 2.154 30 10 IEEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1624730130 DEJHBFMOTQNQCE-UHFFFAOYSA-N 447.499 2.015 30 10 IEEE CNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Br)cc2C#N)cc1 1632242762 VCAUVTWSJDAOPT-UHFFFAOYSA-N 436.331 2.130 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1632328429 GJHXWVYXNVYULC-HZPDHXFCSA-N 441.507 2.093 30 10 IEEE CCNc1ccc(C(=O)OCC)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1635972508 BERHQQYPSPFTHD-UHFFFAOYSA-N 430.486 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)NCc1nc(C#N)cs1)OC2=O 1638555393 MLHRHCMPAJXHKS-CQSZACIVSA-N 449.533 2.147 30 10 IEEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@](C)(O)c1ccccc1 1639714911 RWICGQLPOVQYDL-SBUREZEXSA-N 441.553 2.371 30 10 IEEE Cn1cc(N2C[C@H](C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)CCC2=O)cn1 1639957694 GSWDMSBNXKPOCU-YLJYHZDGSA-N 440.935 2.226 30 10 IEEE CC[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](CC)O1 1654782268 HOAXNBQNYKTXIT-CALCHBBNSA-N 427.505 2.344 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)cc1 1661603283 ZBJTVUQRXPRKEK-UHFFFAOYSA-N 432.498 2.449 30 10 IEEE C#CCOc1ccccc1CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 1667312567 DXNICSAQYXCMGA-UHFFFAOYSA-N 433.429 2.471 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCCCC1 1668660945 HESGPTSNAYCOLK-UHFFFAOYSA-N 425.489 2.415 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CC(=O)NCC)CC1 1672210156 QBXFEBWGMGGZBU-UHFFFAOYSA-N 425.327 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCOC1 1689831190 GWKXJTPKWHEGEX-DOTOQJQBSA-N 430.578 2.431 30 10 IEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689878400 HAUCAKVIZIABQH-FQEVSTJZSA-N 447.543 2.480 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1689908035 URAPKKUDDXUTKC-UHFFFAOYSA-N 428.581 2.402 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689984404 OSFPKVCFBVGNPG-RTBURBONSA-N 434.537 2.119 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2Cl)CC1 1690134823 HEJVUAVFOBGMPA-ICSRJNTNSA-N 429.952 2.459 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2C)CC1 1690139584 SQZILOFVFAPGSE-UHFFFAOYSA-N 447.543 2.010 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690169744 MXINNIPSFWBOTA-INIZCTEOSA-N 427.559 2.444 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690251252 REQHLHWDCYPPOU-UFGBVDADSA-N 427.549 2.485 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1)OC 1697767112 MJCZPJKTLKPPAR-FPOVZHCZSA-N 440.548 2.065 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705508203 KPFCARCDSYSGCO-UHFFFAOYSA-N 437.548 2.424 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2SCCc3ccccc32)CC1 1705632017 FPPDVKASPLNJLI-FQEVSTJZSA-N 438.601 2.202 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2COCCC)CC1 1705632575 UZYBMNQSHWZKKL-UHFFFAOYSA-N 438.576 2.146 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1705792727 YSGNRABYYJWLIN-SFHVURJKSA-N 447.609 2.291 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(Br)c1 1705901060 ZBYKZBIDERSGGU-UHFFFAOYSA-N 442.321 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(F)(F)F)CC1 1705901950 AKCCBCCYJYIIEL-UHFFFAOYSA-N 426.443 2.223 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1705905102 JUQCDDALZKMSJU-INIZCTEOSA-N 431.924 2.214 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1706079893 UBTLEQZSMNBXGE-BHYGNILZSA-N 445.568 2.171 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1706187837 GXCPSDCLGZPHGN-SSEXGKCCSA-N 428.562 2.066 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)S1 1708177030 JZPWEGZZKNKEQQ-CPUCHLNUSA-N 439.545 2.135 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712263832 GSVIDERHONVIBT-DSGGYQJVSA-N 440.479 2.083 30 10 IEEE COCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1712395507 SXYGDICVMZHTBM-QRWLVFNGSA-N 438.504 2.065 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@@H](C)C1 1712648289 SFDOSKMRAKOKLG-ANULTFPQSA-N 446.596 2.243 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722363785 CEUJFOSMVLTERR-SIKLNZKXSA-N 448.564 2.186 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722379823 ZNSCUGXUERVHRQ-SFHVURJKSA-N 435.532 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)NCCC)c1 1722393415 BLUBVMIDSQDHGO-UHFFFAOYSA-N 427.512 2.386 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722724936 JIDCNGODRMHYCW-QGZVFWFLSA-N 439.626 2.381 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(F)(F)CO1 1722863106 OKQVEAOXDKSXBJ-UKRRQHHQSA-N 439.488 2.369 30 10 IEEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1723548654 GCTCHNOEJRKPND-IBGZPJMESA-N 442.589 2.172 30 10 IEEE CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1723633469 HWBLXLZONHJCOM-UXHICEINSA-N 449.559 2.059 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNC(=O)C(C)C 1729082695 OWJDOKLFMUISGW-HXUWFJFHSA-N 440.548 2.426 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730627584 CHQMYNHEFOPSEC-QFIPXVFZSA-N 438.488 2.169 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1730875710 LYLSACSDYALQTL-ZFWWWQNUSA-N 440.426 2.193 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1(CN2CCOCC2)CCCCC1 1740544702 JRPGSKWUDYUWAM-LJQANCHMSA-N 425.581 2.419 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740575230 PMYIDWNBQAZCIP-UHFFFAOYSA-N 429.528 2.425 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740621910 QDAYSIGZYVXJCB-SFHVURJKSA-N 445.589 2.260 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC(F)(F)F)cc1 1740639135 QFGGBDLEIJZBHW-KRWDZBQOSA-N 431.418 2.443 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740693570 CSOZFGCAPNIZBE-KRWDZBQOSA-N 447.992 2.321 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1740731082 OSRXSDNPHUMZSF-XMSQKQJNSA-N 428.558 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(C)cs1 1740986033 QNKUFCBDHSHVAU-UHFFFAOYSA-N 437.591 2.121 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2cscn2)CC1 1740986656 DAZKNEJWNXEFEC-INIZCTEOSA-N 438.623 2.171 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1748679904 KUTCOULCRJXJPN-AWEZNQCLSA-N 429.908 2.331 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749038958 ZVNVUCGJOKDQKK-OAQYLSRUSA-N 433.528 2.476 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749226419 PXUNTCPTGGTDFF-MOPGFXCFSA-N 427.553 2.477 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1749508496 SEGSLDUGMINRBJ-UWJYYQICSA-N 438.594 2.298 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC(C)C)C1 1749713552 USKWSAKASOJDGB-UEXGIBASSA-N 440.610 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749734775 MQIDIIRZKAXHJN-NRFANRHFSA-N 440.610 2.242 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCC[C@H]21 1749738764 WYFKXBMMAWUSPH-HZPDHXFCSA-N 449.602 2.249 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1749739870 LSULBFPKVGFZJV-UHFFFAOYSA-N 437.610 2.015 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1750061116 LVKQOSQSPGODIW-FMKPAKJESA-N 443.483 2.141 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1750204622 FLSXXIRVZPBQAR-UHFFFAOYSA-N 440.529 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760100076 QLFDMHWTFSJATF-XWQURZDVSA-N 433.597 2.276 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760190197 YSLRZFKLCWMZFT-KRWDZBQOSA-N 432.521 2.368 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cscc1C 1760245402 BQWQXTZETFAFNZ-UHFFFAOYSA-N 434.529 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ncnn2C(C)(C)C)CC1 1760270688 WDSZSKNBEKHUGL-UHFFFAOYSA-N 440.596 2.227 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1760519961 VYXHPUMSGWXGJW-UHFFFAOYSA-N 446.515 2.369 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(c2cnn(C)c2)CC1 1760525030 RAKRLCFFLBNWGF-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1764124377 VUYTYBSFELIRKO-QGZVFWFLSA-N 429.569 2.241 30 10 IEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)no1 1764620946 DZSDGOSVOXIKGR-UHFFFAOYSA-N 434.504 2.063 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768469646 OZEAPUUPABVKEK-ZWKOTPCHSA-N 425.493 2.000 30 10 IEEE N#Cc1ccc(CN2CCCN(c3nnc(-c4cnccn4)n3CCCCCO)CC2)cc1 1770740063 ICJSGOGFTGIDPL-UHFFFAOYSA-N 446.559 2.482 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC1CCCCC1 1771189825 YIDUTLULSPHXCQ-IIBYNOLFSA-N 436.532 2.283 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1772889315 YAKOWMPTUHVXAF-MHYXUVESSA-N 441.532 2.394 30 10 IEEE COc1nc(C)c(Br)c(C)c1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1849830593 YOKWVZPPNQOCDV-UHFFFAOYSA-N 431.294 2.092 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)NCCCN2CCOCC2)N2Cc3ccccc3C2=O)cc1 1851885089 MUIFEJBVTZJERE-HSZRJFAPSA-N 432.524 2.484 30 10 IEEE N#Cc1cn[nH]c1C(=O)NC1CCC(Oc2ccc(I)cn2)CC1 1852279900 DJSAGWGSMRBDLP-UHFFFAOYSA-N 437.241 2.401 30 10 IEEE Cn1c(=O)ccn(CC2CCN(C(=O)c3nc(-c4ccccc4)ccc3C#N)CC2)c1=O 1852980122 JHRYPABSIGZBDO-UHFFFAOYSA-N 429.480 2.033 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 1861256691 ZDXKVWVTAIQERB-JOCHJYFZSA-N 449.482 2.385 30 10 IEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCC)c(OC)c1 1874435492 JSZHBEGPZUSOMG-SSDVNMTOSA-N 449.533 2.249 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(OC)cc1 1874470481 HZQOWWMKPUYCRZ-WSDLNYQXSA-N 429.502 2.359 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891327579 RNRYSCVCBRRWCN-HUUCEWRRSA-N 440.529 2.135 30 10 IEEE C[C@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)n1nc(-c2ccc(F)cc2)ccc1=O 1891434923 SOSCQGIJWDCZLL-QAPCUYQASA-N 448.458 2.342 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN=c1[nH]cnc(I)c1OC 1991584614 FBADRGMLXXINHX-UHFFFAOYSA-N 434.278 2.395 30 10 IEEE O=C(N[C@H](CS)C(=O)O)c1cc(I)ccc1Br 1995669505 HRLJMJGSPLGHGC-MRVPVSSYSA-N 430.061 2.167 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622175 WTTQTSKLUMTAGZ-YHUYYLMFSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068911412 IXELKBRXHVHNAO-QGZVFWFLSA-N 435.374 2.376 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141670056 KJIQZPOFOKFYMY-MRXNPFEDSA-N 448.373 2.164 30 10 IEEE C#CCN(CCOC)S(=O)(=O)c1c(N)cc(Br)cc1Br 2152965232 LXXBEXUAZBFRNK-UHFFFAOYSA-N 426.130 2.064 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@@H]4OCCO[C@H]4C3)c(Br)c2)OC1(C)C 2172786683 VEFQGVNOWZSPGN-GJZGRUSLSA-N 425.132 2.137 30 10 IEEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2174789261 ONSYXYZLYMJHDE-OALUTQOASA-N 432.546 2.248 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CC(Oc3ncccc3B3OC(C)(C)C(C)(C)O3)C2)C1 2232303734 LCMMUODPPKGCON-INIZCTEOSA-N 445.369 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243381704 LWTITMNPJCUNIB-ONSXPEOJSA-N 426.344 2.255 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243434980 ITZNPTWKVCQNJS-AUUYWEPGSA-N 428.360 2.103 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2247833653 JUZAVNMEXDIKEG-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H]2COC[C@@H]21 2254645333 LMAULULZLSABER-IKGGRYGDSA-N 432.326 2.394 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638297 MXFCHAUGDOJYJG-CMPLNLGQSA-N 447.288 2.114 30 10 IEEE Cn1cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255816432 FGHUUIMXUPIJQM-SFHVURJKSA-N 425.338 2.398 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)C(C)(C)CO)c1B1OC(C)(C)C(C)(C)O1 2255826754 CWUQRAAGSNXDQE-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2255852588 GIOMDMKOJHCCFV-ZGJRKELXSA-N 438.330 2.184 30 10 IEEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256625150 RZPDFJWQGAGMOI-OAHLLOKOSA-N 434.342 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCCC[C@H]21 2260018657 YOWKZORUSORYTD-ZMPRRUGASA-N 434.342 2.200 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@@H]21 2267093159 RAZCAVUJHKWVNC-KBMXLJTQSA-N 446.357 2.227 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267138935 ZASWZGHBYQXGOQ-CABCVRRESA-N 448.373 2.095 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267187820 DCSBEYKOGILACP-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267187889 FDOJLCHALKTNDI-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267479596 NRQCFIKYGORQQJ-YJBOKZPZSA-N 443.353 2.462 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2267502893 VBDBFHGNBSLWLR-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267546125 RXKIRDNUZAZXOC-IBGZPJMESA-N 436.365 2.370 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548216 QJTBHOOBTJJYTF-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2267770749 WHBZLDAYDSRWOM-DOTOQJQBSA-N 449.313 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879956 NJXZDBITCYDCCW-LSDHHAIUSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268631720 BPYVWUZKHWWCLF-ROUUACIJSA-N 446.353 2.284 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268645732 QMNJJFPQVPJNQQ-GJZGRUSLSA-N 447.341 2.201 30 10 IEEE CO[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2268647105 XHENEXFPUTVNKH-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2269834310 GFMIZXOSIPDZEB-INIZCTEOSA-N 448.369 2.334 30 10 IEEE C=CC[C@@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286025568 HDBKNVNSALILNY-IEBWSBKVSA-N 438.546 2.462 30 10 IEEE C=CC[C@H]1CCCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286030877 HDBKNVNSALILNY-HKUYNNGSSA-N 438.546 2.462 30 10 IEEE C=CC[C@@]1(CN)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2287690474 KMYUCKBGAZGBGF-QFIPXVFZSA-N 433.574 2.400 30 10 IEEE Cn1nc(I)cc1[C@@H](O)C(=O)C#Cc1ccccc1Br 2360951294 LGJUCHKFNGNJLI-CQSZACIVSA-N 445.054 2.441 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 59831809 UNCNEBQHLKSOEV-FBCYGCLPSA-N 426.462 2.093 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)n3c(=O)[nH]c4sc(C)cc4c3=O)cc21 96542413 YQGPAFRTRSUJBK-GFCCVEGCSA-N 425.466 2.415 30 10 IEEE Cc1sc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(C#N)c1C 96971460 CJYQLDNKZVVBEH-UHFFFAOYSA-N 436.534 2.321 30 10 IEEE FC(F)(F)c1ccccc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 254303693 YKAQLDSHBYDFBH-UHFFFAOYSA-N 437.426 2.010 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2C[C@@H]2CCCO2)cc1 462427477 LXOATGSCMPMMKC-IBGZPJMESA-N 445.500 2.248 30 10 IEEE N#CC1(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CCSCC1 464401788 FXMUSGMOWAIJIO-YRYYUTHUSA-N 447.560 2.371 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 465263955 HJEQRSXDPSMWFB-ZDUSSCGKSA-N 429.406 2.454 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 483460232 PKWGFQWCFKVAGC-HZYOIEAUSA-N 427.526 2.003 30 10 IEEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 488278744 CYFNFXQWHIGOSR-DLBZAZTESA-N 439.516 2.267 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cnn4cc(Br)cnc34)C2=O)cc1 505668888 LFVLBDOBUNVGAS-INIZCTEOSA-N 439.273 2.289 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC(C)(C#N)CC2)CC1 507838705 RRUNHYFWMNSLBM-UHFFFAOYSA-N 434.518 2.456 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(C#N)c1)CC2 522361978 RVSXTBSYMARLHD-UHFFFAOYSA-N 425.919 2.213 30 10 IEEE CC(C)Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(O)n1 540746567 UDQLRGBIQFOEIV-UHFFFAOYSA-N 428.514 2.004 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(CCc4ccco4)n3C[C@H]3CCOC3)CC2)c1 549649682 HYYOPBRMARUVAE-LJQANCHMSA-N 433.516 2.286 30 10 IEEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H](C)n2cnc(C#N)n2)C1=O 552722523 AGDFIBOAVRTHSP-ZFWWWQNUSA-N 445.321 2.402 30 10 IEEE CCOC(=O)c1ccc(N2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 559066533 FZZYWRINQLRMAT-UHFFFAOYSA-N 442.541 2.116 30 10 IEEE COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)ccc1C#N 569515928 ZPOWIRIYNBKWDZ-KRWDZBQOSA-N 431.489 2.423 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 586858292 GDEQCZCEBKMTBA-MJGOQNOKSA-N 444.582 2.416 30 10 IEEE COCCN1CCC[C@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 609046020 FFRLFBVDTCUCEN-SFHVURJKSA-N 426.477 2.213 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 610153403 PLJHZTZXVBVBGA-SFTDATJTSA-N 436.537 2.299 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC[C@@H]3C)CC2)o1 610451663 FBLBCMGBPJNSGG-IBGZPJMESA-N 436.560 2.100 30 10 IEEE C#CCNCC(=O)Nc1cc(I)cc(I)c1 709781517 UISDNHMCCNOSGP-UHFFFAOYSA-N 440.022 2.057 30 10 IEEE Cc1cccc(NC(=O)[C@H]2CCCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)n1 725766646 FGEXXMYWKGFDJL-UUOWRZLLSA-N 446.511 2.337 30 10 IEEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730139086 PQKJBMTZJPGIAQ-MAUKXSAKSA-N 436.553 2.313 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](C(=O)OC)c1ccc(C#N)cc1)C2=O 740209987 HHIIIUHGINITCQ-LYNDWLEASA-N 427.457 2.206 30 10 IEEE COc1cccc(Oc2ncccc2CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 741409552 HHCCLLWZGYALAT-VXPUYCOJSA-N 437.456 2.208 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)C(=O)C2)cc1 748946062 VYSYXKMDSZMMCH-FCDQGJHFSA-N 447.561 2.118 30 10 IEEE C[C@H](OC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1ccccc1C#N 752609932 NCOKMWBSGBEHMI-GJZGRUSLSA-N 429.498 2.482 30 10 IEEE CNC(=O)Cc1nc(COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)cs1 754815045 OZGPBUKXEBQUDW-UHFFFAOYSA-N 446.432 2.258 30 10 IEEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(C(=O)OC(C)(C)C)cc3)c2=O)cn1 765000033 GPBSFJNKKCKAPW-UHFFFAOYSA-N 447.520 2.097 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 766059244 VEUXOJVLNRQATM-UHFFFAOYSA-N 428.466 2.076 30 10 IEEE C#CCN(C(=O)Nc1ccc(OCC(=O)OC)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 774044795 CQPUVWSWLYLUHP-OAHLLOKOSA-N 430.482 2.046 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(N)cccc1I 780278686 UOPAWXTYANPMOQ-MGPLVRAMSA-N 429.258 2.473 30 10 IEEE COc1cc(S(=O)(=O)NC(=O)c2ccc(C#N)cc2)c(OC)cc1Br 781701990 SZUIVQXNOGAALF-UHFFFAOYSA-N 425.260 2.457 30 10 IEEE Cn1nnc(Cn2c(-c3ccc4c(c3)NC(=O)CO4)csc2=Nc2ccccc2C#N)n1 782072689 UUGPZRRSAOYBCL-UHFFFAOYSA-N 444.480 2.223 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc3c(c2)OCCO3)N(CC[C@H]2CCOC2)C1=O)NC1CC1 784125539 QWPJBVOTSXICIM-LIRRHRJNSA-N 445.541 2.485 30 10 IEEE CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2cnc(-c3ccccc3OC)nc2)NC(=S)N1 793349230 LOLISEDUCXQESU-KRWDZBQOSA-N 438.509 2.467 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 802507350 COTHKFBWPWUXDH-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE CC(C)(C)OC(=O)NCC12CCC(CC1)CN2C(=O)CCN/C(O)=C1/N=CC=CC1=O 808258527 NEOXAJUHIYJJDV-HNENSFHCSA-N 432.521 2.199 30 10 IEEE COc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 810865857 KKEBFMFATACPGX-UHFFFAOYSA-N 449.916 2.171 30 10 IEEE COC(=O)[C@](C)(NS(=O)(=O)c1cnc(C)c(C#N)c1)c1cccc(Br)c1 813665047 FEZKFCKTUYTEDV-QGZVFWFLSA-N 438.303 2.391 30 10 IEEE CC(=O)Nc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(C)cc2)n1N 1084523315 UMFPFNBMYANDNQ-UHFFFAOYSA-N 438.517 2.436 30 10 IEEE C#CC[C@@]1(C(=O)NCc2c(C)nc3cc(O)nn3c2C)CCCN1C(=O)OC(C)(C)C 1146299820 LTGAHJVMDHMBOF-QFIPXVFZSA-N 427.505 2.461 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 1149999479 DHHKDNXUHLFWFT-SQFISAMPSA-N 448.595 2.314 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)cc1 1161669663 WWAJQZXHSPSVHS-UHFFFAOYSA-N 438.321 2.117 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1171843306 HBSZMXVHVWLIET-QGZVFWFLSA-N 441.419 2.152 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 1193799774 AGKXUMKHUISAKH-UHFFFAOYSA-N 428.489 2.483 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C#N)C3)cc2)C1 1194629072 IFWJUFMHTBFFIY-BBWFWOEESA-N 425.576 2.277 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1211446490 VKLCWLVOBQCOKC-QGZVFWFLSA-N 448.463 2.241 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c(c1)OCCO2 1286273272 HNGRMUUYIGOTIJ-MRXNPFEDSA-N 432.484 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCc1ccc(OC)cc1 1286297000 UIIRUFAKYHENPC-HKUYNNGSSA-N 446.573 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccs1 1286300298 QWDQGINYQXBUHL-INIZCTEOSA-N 433.541 2.466 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2cnn(C)c2)c1 1286311902 RNSPIDJXJKZCCT-FQEVSTJZSA-N 433.516 2.358 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOCC(F)F 1286369470 RHZWXEGHWMTDMX-UHFFFAOYSA-N 430.459 2.416 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286386732 GRPHPEZSSSNXRM-GOSISDBHSA-N 428.558 2.185 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCC1 1286412397 AHHAITZZOAAFKE-UHFFFAOYSA-N 432.576 2.009 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1286451563 LFVOWVSEUIFHKL-OAHLLOKOSA-N 447.561 2.054 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286671326 WEMQXHYWQFRJCC-KRWDZBQOSA-N 447.609 2.445 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286692945 KDIPPQDRUNJVGB-QFIPXVFZSA-N 436.520 2.377 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1286715213 WXVMSMQGDVAJSP-QGZVFWFLSA-N 443.577 2.361 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2nc(C)no2)CC1 1286783043 DSZRZSOLYGWBIL-UHFFFAOYSA-N 442.911 2.371 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C#N)o1 1299004135 XYEUSTIQVCFPPU-HNNXBMFYSA-N 438.488 2.197 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2COCCO2)c1 1300331285 HMCQUDDBKUEIQK-IBGZPJMESA-N 435.484 2.318 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1300402636 BTSMRCZHUUXMTE-LJQANCHMSA-N 438.507 2.181 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 1300483937 NEYRMNXZPMRZOY-OXQOHEQNSA-N 428.558 2.497 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300487051 DZDGRMVNDKAMDZ-KKSFZXQISA-N 434.537 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300574861 NLGXRDWEQSZNCN-OAQYLSRUSA-N 447.543 2.116 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300843927 IAPUQVYNZTYXNC-CQSZACIVSA-N 432.326 2.113 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301018774 LJFURJGVMJOHDQ-IRXDYDNUSA-N 427.977 2.444 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC 1301295550 YVQWUOXCNVTIIV-UHFFFAOYSA-N 441.598 2.450 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1301530246 QXQZFHYEZMSPOG-RBUKOAKNSA-N 432.546 2.366 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1301861435 UZMMEHKYVKHOJL-JKSUJKDBSA-N 441.492 2.087 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1301971569 NTYDKSVSKFQEJJ-XFQAVAEZSA-N 444.561 2.204 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1F 1302585653 QMLGSZGAVZNGRL-UHFFFAOYSA-N 446.479 2.263 30 10 IEEE CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@@](C)(C#N)C1 1304192903 JXNRELUSYPBAFI-QAPCUYQASA-N 440.363 2.442 30 10 IEEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 1310745519 BZLOUAFUAFCDGV-UHFFFAOYSA-N 448.512 2.072 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCc3c(CC#N)cccc3C2)cc1 1313272861 NMNWWBYXUZFWKZ-UHFFFAOYSA-N 426.542 2.412 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC[C@@H]1C 1315732587 CQSHFVASBOMRJB-QUZZAMIASA-N 438.532 2.068 30 10 IEEE COCCN(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1316067485 DMQYYQPIHNDUMO-LPHOPBHVSA-N 448.955 2.378 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC1 1316101827 ODLASIAOXGDEKT-KRWDZBQOSA-N 434.541 2.363 30 10 IEEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCCS(=O)(=O)N1CCCC1 1349066177 XQCMGBYWJFZOSW-UHFFFAOYSA-N 425.503 2.322 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1358915499 FNFRVEVQVRWFPT-QGZVFWFLSA-N 440.573 2.274 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1358921323 VDHDVPVKWUNVGR-KRWDZBQOSA-N 431.537 2.417 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358950812 ZGNNKADYWYRYDD-ICSRJNTNSA-N 445.564 2.282 30 10 IEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1358953602 BTQNIOLLECCBIB-MRXNPFEDSA-N 434.587 2.473 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358964875 IXDZXYKNGRAOGL-PKOBYXMFSA-N 449.646 2.287 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](F)COC)CC1 1359031457 CHJBOEKEDSOGIB-QGZVFWFLSA-N 436.329 2.447 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359080749 CJQOXIRPKZWMJF-INIZCTEOSA-N 435.370 2.493 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1359123751 KQSJIZAGSNISCQ-UHFFFAOYSA-N 440.552 2.246 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1359511395 QAKCCTXTKAYZQH-MPJCZWRTSA-N 428.537 2.250 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)COCCO2)CCOC1 1360340787 FNWPQXYVWMGCJW-FDFHNCONSA-N 433.553 2.254 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1360475891 FNZCHTOEFMRJBQ-RDJZCZTQSA-N 431.562 2.194 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1440759107 ACKFWMJTPRTIRA-UHFFFAOYSA-N 426.274 2.315 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 1452260298 OOGAQYLVZVQUDL-VGSWGCGISA-N 441.553 2.415 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1 1456491096 ZNRLQDSMIHORJO-UHFFFAOYSA-N 433.505 2.478 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1459888173 XTMUUYHFXNMGKQ-UHFFFAOYSA-N 435.496 2.129 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc(-c4ccncc4)n[nH]3)C2)C1 1469079780 SMPJCGHSXMAPIO-JXORXQGFSA-N 437.504 2.270 30 10 IEEE C[C@H](CC(=O)NCc1nc(-c2ccccn2)cs1)/N=C1/NS(=O)(=O)c2ccccc21 1469538700 SVOUFDLYJOGJBM-CYBMUJFWSA-N 441.538 2.339 30 10 IEEE N#Cc1cnc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)c(Br)c1 1472736986 APFRVQKWYAKXGC-UHFFFAOYSA-N 425.294 2.014 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCC([C@@H]4CCCN(C(=O)C(F)(F)F)C4)CC3)nc12 1473653663 FRWJELFRZXFYPG-CQSZACIVSA-N 436.438 2.319 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)CCOCC1 1475696145 FMBRJVSIFSLDRL-UHFFFAOYSA-N 434.283 2.226 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1494571376 QQBDCCXZRNIWJA-VQIMIIECSA-N 446.502 2.398 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1494992787 BZOWLPUQSOFGOW-PXNSSMCTSA-N 447.547 2.389 30 10 IEEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1502290357 GRJXBKAJNBOVKC-LJQANCHMSA-N 439.564 2.174 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1503251516 NREYOACRTRYCDE-UHFFFAOYSA-N 434.547 2.018 30 10 IEEE COCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1504801529 RIUZDHYRRAQMSE-AQNXPRMDSA-N 443.573 2.350 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCSC2)CC1=O 1504898859 BJRIXKFBWJSRLQ-HKUYNNGSSA-N 440.573 2.253 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncn(-c2ccccc2)n1 1504966063 QYGCIOVUDPALPO-IERDGZPVSA-N 440.483 2.073 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@H]2C)c1 1507549648 JZFDHLCLZKEVRJ-IEBWSBKVSA-N 447.543 2.407 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1507604531 KPNXGXJJNSUEBM-NTKDMRAZSA-N 437.544 2.441 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)CN1CCOCC1 1507643912 VZUVVZALNWSDPK-FQEVSTJZSA-N 443.555 2.376 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1csc(COC)n1 1507645992 OPADNUAGLWHQGU-UHFFFAOYSA-N 435.509 2.440 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCOC2)CC1 1507734109 GVTVQKMUEAORKR-GOSISDBHSA-N 437.544 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CO)CC1 1508075291 VJVKECMJLAMMQW-UHFFFAOYSA-N 434.338 2.219 30 10 IEEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1508100745 ODWPOOFTHVIYSJ-IBGZPJMESA-N 431.562 2.287 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1508412244 ABIXSVJODXQANI-IIBYNOLFSA-N 448.593 2.198 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1509957892 IEPYCIIVGURIHE-INIZCTEOSA-N 437.548 2.308 30 10 IEEE CCn1cccc(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)c1=O 1515779486 BTWXYWJZFNOMGD-UHFFFAOYSA-N 432.532 2.225 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CC1 1515891184 DNMXHIQWIOYGMV-IBGZPJMESA-N 437.592 2.458 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1516606793 BUWARMIPWXNQGZ-IAGOWNOFSA-N 446.552 2.333 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1521090153 QYWMIWRMDWRXMU-SJORKVTESA-N 430.459 2.203 30 10 IEEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 1527263177 ZPYDXTLWTLFSRZ-HSZRJFAPSA-N 428.452 2.458 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H](CC#N)C(F)(F)F)C1=O 1538122583 BURWRSRXUGQGFU-XHDPSFHLSA-N 447.211 2.177 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1539094752 UYWJGCHJXRRFOT-CVEARBPZSA-N 449.581 2.192 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(=O)COC)CC1 1539138929 AZANYKKAOATZDR-UHFFFAOYSA-N 429.496 2.141 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1539223983 AYHXZRICHZKHLL-INIZCTEOSA-N 436.628 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(CC)C(C)C 1539245901 LSOJGUBMVRIBFV-UHFFFAOYSA-N 427.574 2.152 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCS(C)(=O)=O 1539296701 SZPCHOYBFYBUHL-QGZVFWFLSA-N 432.521 2.455 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCS(=O)(=O)CC1 1539526088 DEWZYIFSSPPGQA-UHFFFAOYSA-N 434.587 2.021 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1539830445 WXIOOMMPLLSIHF-KRWDZBQOSA-N 439.568 2.073 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1[C@@]1(OCC)CCOC1 1540875996 FATQIDXRARPTLU-AUSIDOKSSA-N 441.532 2.280 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)C1 1540890482 FRXIICRTTXLKKQ-MSOLQXFVSA-N 429.521 2.414 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1548125813 HIIQOOWWVHPRNE-UTKZUKDTSA-N 432.500 2.232 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(OC)CCOC1 1555731488 MOVNGSYOXRRWLD-SXWKCWPCSA-N 441.532 2.316 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 1556710815 SUUKAFWNHIKBIP-KSFYIVLOSA-N 441.553 2.337 30 10 IEEE CC(C)(C)C#CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1557021233 YVAPPAKSVUBLJR-QZTJIDSGSA-N 432.565 2.430 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2nn(-c3ccc(F)cc3F)cc2O)C1 1567387694 GWUXSANVWMXTCC-RISCZKNCSA-N 433.415 2.345 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1Cc1cnn(CCOC)c1 1588550444 RLWIAKFNGRFIKU-HXUWFJFHSA-N 438.507 2.452 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1588813009 VQNHEJCPDQHDLJ-MSOLQXFVSA-N 440.514 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1589484621 UOJAPDPFUGWPJU-YWNPBTLJSA-N 447.580 2.172 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCOC 1589505758 OBAQTFVZWFVDNU-IEBWSBKVSA-N 434.562 2.412 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC 1595099836 JMMFVZYJEKFABC-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1595500817 GDGJBTSZMWPJCD-KBPBESRZSA-N 439.969 2.159 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1595614373 SPGCMPKJNBAHCU-QUCCMNQESA-N 425.533 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1595705607 BWISHQGIHUIMOA-SFTDATJTSA-N 439.608 2.395 30 10 IEEE Cn1ncc(Br)c1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1596638924 FRJIGGBZLQASQL-LLVKDONJSA-N 436.697 2.377 30 10 IEEE C=C(Cl)C[C@H](NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C(=O)OCC 1596778879 YYYPGVIUMOLLQU-HNNXBMFYSA-N 432.851 2.436 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1620323314 HMQFXVCZPAOGOE-YGCDDZCOSA-N 436.516 2.475 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C#N)cc1OC)C2 1625970720 IMQYWGCFNRNHBM-VBURHUQHSA-N 443.500 2.485 30 10 IEEE COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1F 1629556628 AUNBUPFDDMYOSI-ZDUSSCGKSA-N 449.460 2.129 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2)C1 1629806713 BVXQISAOXKOZMI-PDIVGGKMSA-N 430.549 2.244 30 10 IEEE CC(C)c1n[nH]c(CC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 1631848961 BDCAADGSOKKJAF-UHFFFAOYSA-N 429.546 2.196 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 1634187704 DZYKLSZVMKHSFT-HCXYKTFWSA-N 439.516 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NOCCN1CCCC1=O 1634250953 KNYVQNUJYPJOKY-IBGZPJMESA-N 428.489 2.063 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NCc3ccc(C(=O)NO)cc3)cn2c1 1639591116 NBUPUEGLWRFCGM-UHFFFAOYSA-N 439.472 2.408 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1O 1642030395 QWKJFXMWWMDUSD-CQSZACIVSA-N 427.523 2.488 30 10 IEEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1644465100 CHDJBOIXEFGEDZ-CQSZACIVSA-N 433.357 2.285 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ncccn1)C1CC1 1646125292 JKBRLNFSLMEVST-LJQANCHMSA-N 427.530 2.343 30 10 IEEE C=C[C@H](CO)NC(=O)c1cc(I)ccc1I 1646304958 UTLMKBGZBNCCSF-MRVPVSSYSA-N 443.022 2.173 30 10 IEEE C[C@@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1648469834 NXIQBKBPRDUWEX-UPVQGACJSA-N 442.510 2.257 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1674887174 CHBHIQQVKLVPGD-HNNXBMFYSA-N 448.372 2.438 30 10 IEEE C#CCN(C(=O)NCC1(S(C)(=O)=O)CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1682161558 JUJZTSQEZYWJFZ-UHFFFAOYSA-N 441.594 2.388 30 10 IEEE C#CCC1(O)CCN(C(=O)NC[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)CC1 1683593593 DYNZVHYGSBAZFY-INIZCTEOSA-N 425.451 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1689824654 UTZMRORGYPSWOB-MRXNPFEDSA-N 433.520 2.050 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(O)CCCC2)c1 1689870527 QXZTXXBOICREMU-UHFFFAOYSA-N 433.516 2.040 30 10 IEEE C#CCCCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1689906079 HNMCDIREYMJDJO-QHCPKHFHSA-N 431.581 2.428 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689983848 HZTUEGAIPVVYOC-IRXDYDNUSA-N 440.928 2.210 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1ccccc1 1690019260 DYMGFDHOKSIOHH-SFHVURJKSA-N 428.583 2.435 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(N(C)C)CCCC2)CC1 1690129420 WTZILZCBNNADOL-UHFFFAOYSA-N 427.622 2.263 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690348792 BCSMWWNNVUQRBG-JXFKEZNVSA-N 443.983 2.005 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690674360 XZHOYXNPGQFOIK-UHFFFAOYSA-N 430.578 2.116 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nccnc2C)C1 1690688352 UCRKVZSTHNJGDB-CVDCTZTESA-N 442.564 2.441 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C1 1690812619 PWBHNXQXFIVDLM-VQTJNVASSA-N 438.532 2.212 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691562218 YZXWYUDUQYCYKA-CVDCTZTESA-N 439.564 2.172 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1693865461 LDJUPOAMTKKAHC-LPHOPBHVSA-N 429.546 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(COC)CCOCC1 1705490860 SFCQRRVRUJVNJA-INIZCTEOSA-N 436.516 2.495 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCN2CCOC2=O)c1 1705503795 FCCSJFARFGAMHT-UHFFFAOYSA-N 438.532 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1F 1705598621 MPIMVCSQVWYBDP-ZWKOTPCHSA-N 444.532 2.250 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCC[C@H](C)C2)CC1 1705641941 ZPCHZQPNHOHHBH-QFIPXVFZSA-N 436.604 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)OC)CC1 1705645631 YUVIVMRJLUJTQW-CYBMUJFWSA-N 449.353 2.036 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705656725 GWMSUEWOVIJHJD-LJQANCHMSA-N 441.601 2.479 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705657315 AIDOXTINZWWDQY-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705724978 CSCARBWSRKKNOD-GOSISDBHSA-N 431.562 2.177 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705729954 DJTUWJPFZCSBTD-OAQYLSRUSA-N 434.629 2.225 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C)s1 1705737564 VFSYBZZUAIHLJF-OAHLLOKOSA-N 425.580 2.174 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1705797588 YVQQKLZAUQMTJC-GUDVDZBRSA-N 443.573 2.212 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N2CCCCC2)C1 1705916698 MTFZLPLFPVGHHJ-AUSIDOKSSA-N 447.580 2.114 30 10 IEEE C=CCSCCn1c(C(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1705939886 PCXGTPRIDYIKER-UHFFFAOYSA-N 427.582 2.393 30 10 IEEE CC(C)NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706635479 ONKFFIZGESUJAM-UHFFFAOYSA-N 425.537 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1722290653 YUUNEBQHOMXHSZ-SIKLNZKXSA-N 433.560 2.428 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(C(N)=O)CCCC2)c1 1722307623 RMLYEKPSZAIPBD-UHFFFAOYSA-N 434.544 2.333 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN(CC)C2CC2)c1 1722308543 CEPFJAJYHYQPFP-LJQANCHMSA-N 436.560 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N(C)C 1722370128 GZSPJAYXYKWJKG-FQEVSTJZSA-N 427.512 2.301 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccs1 1722409825 HPJVAQDIKFVTKQ-UHFFFAOYSA-N 429.575 2.397 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCc2ccccc2)CC1 1722699741 XTEDGDGPHCCWDN-LJQANCHMSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2ccnn2C)C1 1722700459 KBZQTCDTDNIOMU-IBGZPJMESA-N 449.559 2.297 30 10 IEEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1730668055 IFDNAKWZSRELTD-LJQANCHMSA-N 437.548 2.244 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCC1 1730764617 TWSLSBWIRWUVHH-CALCHBBNSA-N 448.568 2.330 30 10 IEEE C#CCN(c1nnc(CC)n1CC[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740623931 AEFWPXUMFHCFPN-ZWKOTPCHSA-N 428.558 2.424 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740638452 JKAZSAUVFGSGMV-XZOQPEGZSA-N 433.556 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOCC1(C)C 1740650646 ICBQZIXIHXNMHU-UHFFFAOYSA-N 449.555 2.290 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)C1 1740754697 VJTQULQAASYZQI-SUMWQHHRSA-N 449.353 2.295 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)C1 1740763800 QHGURBLLNXXSJO-AVRDEDQJSA-N 425.533 2.391 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740847680 QOVIFEMBBWMKAI-INIZCTEOSA-N 428.516 2.087 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740864498 LYJUEWYZUHJURO-FQEVSTJZSA-N 437.548 2.387 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1748765889 YTIAUEDQSCHBDV-HXUWFJFHSA-N 443.573 2.195 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1748811455 HETGPKKUTHFYDI-SFHVURJKSA-N 428.562 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1748840500 CTOPLIJUBKXEEP-UHFFFAOYSA-N 438.557 2.171 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1csc(COC)n1 1748875557 SLAQSYYYZNBTRA-UHFFFAOYSA-N 435.513 2.040 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC[S@](=O)CC 1748940454 LVCUWQLHIPXTQC-SSEXGKCCSA-N 431.537 2.062 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749047533 YMHCDFDKVXIWSS-QFIPXVFZSA-N 425.558 2.391 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749230198 UXGXOLPTBNBQPO-RTBURBONSA-N 427.553 2.270 30 10 IEEE COCc1nc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)cs1 1749451476 SABMWVIRITXCJE-CQSZACIVSA-N 431.909 2.373 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1749488365 JJIBZUKBFOFEIZ-SFHVURJKSA-N 431.518 2.028 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1749573830 VVVYZOUYZWQFNQ-INIZCTEOSA-N 425.459 2.120 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749575051 KMCXQZPXXOEOBO-HZPDHXFCSA-N 439.582 2.272 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1749671098 ZAEPEWLENUMXGC-SFHVURJKSA-N 426.477 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749731851 MJBGQPGNWZGGLN-INIZCTEOSA-N 434.566 2.297 30 10 IEEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(N)=O)C2)o1 1750383287 RSDXDUXWNOBDRX-LLVKDONJSA-N 444.293 2.250 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760181989 AACLUKZHAUTYDB-HXUWFJFHSA-N 439.541 2.036 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1760182555 KTAMCHGTIOWADW-MRXNPFEDSA-N 433.603 2.368 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(CC)CC)N(C)C 1760289244 NHKCNXDSVPTTPX-HGHGUNKESA-N 438.642 2.247 30 10 IEEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCS(C)(=O)=O)CC1 1760388185 HFKIBWJCFILCAB-UHFFFAOYSA-N 428.518 2.185 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)CN2CCOCC2)CC1 1760391737 PFPMZSJOEWLCPR-GOSISDBHSA-N 444.605 2.394 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1)C1CC1 1760470575 WSROHDVCQQGCNA-FZKQIMNGSA-N 425.580 2.012 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760492613 ZQBAXPHQPQDOKN-SFHVURJKSA-N 426.546 2.277 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)C1CCC1 1760696936 MIYFPFJKBBAZKH-KRWDZBQOSA-N 434.548 2.419 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1760846011 DRQQJZGSPGOOCW-GOSISDBHSA-N 449.515 2.491 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1761247140 DOYMETTWSAAHSC-CQSZACIVSA-N 447.337 2.351 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1761362783 ICLHGDGRVUPSLA-CVEARBPZSA-N 434.541 2.361 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1762025545 VUBXBJGCGPIGTO-WOJBJXKFSA-N 427.505 2.090 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)CCO1 1763496363 BQNNFAFTPQXEOD-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763903947 AUYVJYKMBVYLLC-UYAOXDASSA-N 438.580 2.106 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1764540939 RVESDBDXUBJJNP-IBGZPJMESA-N 433.520 2.166 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C[C@@H](C)O1 1769521682 OFVBBKMYLDDPGZ-DEPWHIHDSA-N 441.532 2.394 30 10 IEEE CS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1770357282 BGLANBOPKALNCY-UHFFFAOYSA-N 434.541 2.077 30 10 IEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccco1 1770360290 ALQNNIXWXHGFPE-QGZVFWFLSA-N 426.502 2.300 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)CC1 1851027324 VGQOTVXLWPDNPE-OAQYLSRUSA-N 448.527 2.164 30 10 IEEE N#Cc1cc(C(=O)N(CCCN2CCCC2=O)S(=O)(=O)c2ccccc2Cl)ccn1 1851350965 ZKCDLGWQJHIOKQ-UHFFFAOYSA-N 446.916 2.450 30 10 IEEE Cn1ccnc(N2CCC[C@@H](NC(=O)c3cccc([C@H](C#N)c4ccccc4)n3)C2)c1=O 1851420152 QVJHOPLYCIVJSR-RTBURBONSA-N 428.496 2.230 30 10 IEEE C=CCN1C[C@H](C(=O)Nc2c(C#N)c3ncccc3c(=O)n2CCc2ccccc2)CC1=O 1852935855 ZQSJUVOEMDXKPD-GOSISDBHSA-N 441.491 2.484 30 10 IEEE Cn1c(=O)ccn(CC2CCN(C(=O)c3cccc([C@H](C#N)c4ccccc4)n3)CC2)c1=O 1852938446 MANZNSWIQGQLLX-HXUWFJFHSA-N 443.507 2.150 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3Cl)CO2)nc1 1853303961 VGUWQOSZCXADNZ-AEFFLSMTSA-N 426.860 2.461 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)C(=O)C1 1853947503 RGKGCRUYKWVSAE-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C1(C)C 1854466354 IMNCKBJSFGCMAY-UHFFFAOYSA-N 446.916 2.367 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC(N4CCCC4=O)CC3)C2=O)c1 1857331486 RWIZMHZBKNAWTJ-LJQANCHMSA-N 428.920 2.234 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(O)c2)cc1C 1862403205 PXMBCZFCNOOJDZ-HXUWFJFHSA-N 440.452 2.129 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862703154 CILBHWFZICIDBA-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccc(OC)c(OC)c3)C2)CC1 1872912840 CYICMVGUBNRQSI-QFBILLFUSA-N 443.544 2.154 30 10 IEEE COc1cc2[nH]c(C(=O)O)c(/C=N/n3c(S)nnc(C(C)(C)C)c3=O)c2cc1OC 1873498025 JBZQCLHOZLTNPO-DNTJNYDQSA-N 431.474 2.303 30 10 IEEE C#C[C@@H]1CC12CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 1891755698 ANFQEMRHDQWEIG-NQIIRXRSSA-N 443.569 2.450 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060624470 YKKGOBXYADYRRK-GNXICBOWSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CC(CO)C1 2073620216 SXEANVZRWDSYOD-NAETUIJBSA-N 436.358 2.203 30 10 IEEE CN[C@](C#N)(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)C1(Br)CC1 2085676539 MSOKLFIMXZVHGP-HXUWFJFHSA-N 442.317 2.131 30 10 IEEE CC1(C)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CC[S@@]1=O 2116141603 BQTPISHHUMCYCZ-VWLOTQADSA-N 429.189 2.491 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C 2242691080 JLIYMQQMUYKWJQ-HZPDHXFCSA-N 427.542 2.334 30 10 IEEE C=C(CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)OCC)B1OC(C)(C)C(C)(C)O1 2243435157 LSFKPXSYQAHINX-UHFFFAOYSA-N 434.364 2.282 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)B1OC(C)(C)C(C)(C)O1 2243435328 PAOYKOHNUSUVKF-LSDHHAIUSA-N 430.376 2.491 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773511 KQZRTNQBBVPRDB-STQMWFEESA-N 437.371 2.333 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247963153 ULAPNAHBWPBTCQ-OAGGEKHMSA-N 442.387 2.491 30 10 IEEE C[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2255539247 WVONJBDPMLVPNM-DGCLKSJQSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255838141 BCVKYPUGWYPMML-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255838143 BCVKYPUGWYPMML-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255879544 QRMQVXBWDCWPGZ-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2267144663 AFVMKNILLJIIHK-YSIASYRMSA-N 436.365 2.349 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1 2267144966 APZVIAUVHUBBPZ-MRXNPFEDSA-N 448.373 2.235 30 10 IEEE CCc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267145368 GBHMQZQSRYNNIN-CABCVRRESA-N 448.373 2.067 30 10 IEEE CCc1nn(C)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267145370 GBHMQZQSRYNNIN-GJZGRUSLSA-N 448.373 2.067 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)c1cnn(Cc2ccccc2)c1 2267539395 JZXBLWXLHGPYNK-MRXNPFEDSA-N 435.337 2.455 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267592413 DOVQANKZCISFEX-HUUCEWRRSA-N 446.357 2.009 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267599107 KEHYBTNWRVKRCK-QZTJIDSGSA-N 446.353 2.004 30 10 IEEE Cc1cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267603967 JPHKSBCQIAKPKL-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073229 HXFHOFLOUHVDRF-HNAYVOBHSA-N 440.305 2.169 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(O)[C@H](N)C#Cc1cccc(Br)c1 2278735977 VMFUYMQERNHTBY-MDZRGWNJSA-N 425.323 2.173 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N3CCCC4(C3)OCCO4)ccc2Cl)OC1(C)C 2282866130 DTEGIVJHAZTURJ-UHFFFAOYSA-N 443.758 2.167 30 10 IEEE Cc1ccc([C@H]2C(=C(O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1 2296932779 MENAMCGIAKXJGD-KRWDZBQOSA-N 431.514 2.415 30 10 IEEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 2297741129 WCBKJTAHTMNAPA-FQEVSTJZSA-N 442.468 2.051 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2300342505 VMSYUKXDTHKYII-KGLIPLIRSA-N 435.355 2.276 30 10 IEEE Cc1c(C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)c(O)n(C)c(=O)c1C#N 2314625213 NZDYKZBYJQGGAM-UHFFFAOYSA-N 425.491 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317256479 OTHFOZSUFNXJCQ-GJZGRUSLSA-N 436.289 2.226 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc(O)c2)cc1OC 2326740241 UEFCNPMAKCPQSU-UHFFFAOYSA-N 427.486 2.051 30 10 IEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327888739 HWWSYZAOENWIMC-OAHLLOKOSA-N 447.561 2.463 30 10 IEEE Cc1cccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)c1C 2328835875 KGMDSHAPMDMDFF-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE CCOc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c1 2330785751 CAJUHHMICMGWKU-UHFFFAOYSA-N 433.534 2.486 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1C(=O)O 2331569345 KLZHQTKBWYBYLI-UHFFFAOYSA-N 432.487 2.192 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)[C@H]2C1 2345713882 OXNWOEYOVJMENV-IRXDYDNUSA-N 449.332 2.344 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2352403700 ZFFMSFPZMAYCJZ-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE CC1(C)OB([C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)OC1(C)C 2368341881 BITRGAGEYQYTEK-NSHDSACASA-N 427.104 2.467 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)c1 58997783 PFWLPUFLUOROOJ-DNTJNYDQSA-N 442.457 2.424 30 10 IEEE COc1cccc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)/N=C(/C)O)cc2)c1 96458904 LQTGOXAYLIYSBQ-KPKJPENVSA-N 445.497 2.471 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccccc3CC)o2)c1=O 101350991 KTTLHXXOCRTZBV-UHFFFAOYSA-N 441.513 2.298 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)s1 435440817 ZYUPXZTXRCOOPO-UHFFFAOYSA-N 425.557 2.024 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Nc1cc(C#N)ccc1OC 493859030 BWFOZGCRZQFBCP-CYBMUJFWSA-N 432.502 2.265 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O[C@@H]2CCCCO2)cc1 504397150 HTUDKBKUGBIVNY-UURKPOQGSA-N 428.503 2.489 30 10 IEEE CN1C(=O)c2ccc(S(=O)(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2C1=O 507540719 YIUPLFPZMXMRET-UHFFFAOYSA-N 425.466 2.016 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 515449585 VBUOVGCMWPYMEE-GOSISDBHSA-N 436.512 2.303 30 10 IEEE C=CCN1CCC(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 519733955 KZHMAQOJVHLOMD-OOJBBXMBSA-N 445.563 2.232 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 522381880 FCZUZPXDOYPIHB-SFHVURJKSA-N 426.538 2.216 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3nccc(OCc4ccccc4)n3)CC2)cc1 534062033 AMXCEQFEDJGGAS-UHFFFAOYSA-N 435.509 2.438 30 10 IEEE CNC(=O)c1cccc(OCC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)c1 535373831 ARCNHDFWSPKUFW-UHFFFAOYSA-N 446.511 2.122 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 540200031 ZPNIGUVSKPKZCK-OHUMZHCVSA-N 429.476 2.394 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)nc1 580425665 FEPOXOCGEHNWEN-UHFFFAOYSA-N 432.875 3.018 30 10 IEEE Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c(O)cc21 584086190 XWJLQZZFDUOORQ-UHFFFAOYSA-N 426.376 2.274 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCC(NC(=O)c3cccc(C#N)c3)CC2)c1 586105009 XQOCZEVXRBKUHK-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE CN1C(=O)COc2ccc(N(CCCC#N)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 586232251 QLVDGLUBNBYUQO-UHFFFAOYSA-N 430.442 2.449 30 10 IEEE COc1ccc(Cl)cc1NC(=O)CCNC(=O)C(=O)NCc1ccc(C#N)cc1F 586858817 HPLPKUVFJOVLHV-UHFFFAOYSA-N 432.839 2.121 30 10 IEEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 603113005 YDSHQRVUVWYSCI-UHFFFAOYSA-N 441.557 2.094 30 10 IEEE C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(C#N)c1 610346409 JQKCYOHTSCSQST-AWEZNQCLSA-N 434.543 2.201 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1C 730143209 RZYRUAJIPUQJDD-MJGOQNOKSA-N 432.590 2.482 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 731888368 GVPVBLCWVKPJEM-XUTLUUPISA-N 434.431 2.058 30 10 IEEE COc1cc(I)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 732649356 SYSGBXUKIDOJNJ-GFCCVEGCSA-N 441.269 2.121 30 10 IEEE N#Cc1ccc(OCCNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1 742104722 MCQKIQJKVQUZOM-UHFFFAOYSA-N 442.541 2.485 30 10 IEEE COC(=O)c1cc(F)ccc1COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745494806 BFRINRPUXOKVPO-GFCCVEGCSA-N 434.445 2.173 30 10 IEEE C[C@H](CC(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 745497818 SSAAMWSKZXFYQO-ZIAGYGMSSA-N 447.488 2.063 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1C#N 752304499 HHNRGFYIQYPAFG-GOSISDBHSA-N 430.509 2.191 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cc1 758224658 FOVIFMFZPLFKQP-GVQLBQDUSA-N 435.550 2.055 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761981082 FVJVZOUMUDGEQY-BZROSYFNSA-N 432.908 2.043 30 10 IEEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(Br)c(F)c3)c2=O)cn1 763313279 QMQZFVHQXBULCY-UHFFFAOYSA-N 444.289 2.044 30 10 IEEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)[C@H]1CCS(=O)(=O)C1 774216184 IMFZQXTXGDHWLX-JXFKEZNVSA-N 440.525 2.227 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)c1 777178350 WAPNMTLWHDOSMN-UHFFFAOYSA-N 427.482 2.288 30 10 IEEE COc1ccc(C2(CNC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CCOCC2)cc1 793934768 ASUZNXKYKABFCD-UHFFFAOYSA-N 437.496 2.056 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804162271 GILSZXNNDULTLL-CQSZACIVSA-N 432.496 2.465 30 10 IEEE C#CCCCS(=O)(=O)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC 805048770 RAYFBUMHWLBQJM-HNNXBMFYSA-N 427.320 2.347 30 10 IEEE Cc1ccccc1[C@H](O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 811526060 WAXIWKXTQYEXIY-JOCHJYFZSA-N 427.526 2.117 30 10 IEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC)[C@@H]1CCS(=O)(=O)C1 812037811 XTUMNGYWOAVPKA-LLVKDONJSA-N 429.365 2.416 30 10 IEEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(F)cc1 812926993 QOZBYMJUZKBQBP-HXUWFJFHSA-N 430.505 2.258 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)[C@H]1CCS(=O)(=O)C1 813797983 XRRYQAZOJSRYNF-SJORKVTESA-N 439.578 2.141 30 10 IEEE COCCOc1cc2c(cc1C=NN1C(=O)N[C@](C)(c3cccc(OC)c3)C1=O)OCO2 920751764 PGXZZVKRVZZUMX-JOCHJYFZSA-N 441.440 2.250 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)ccc1F 1129981926 PUIUITOGFHEDHS-GOSISDBHSA-N 437.537 2.201 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)CCCN(C)C(=O)c3ccncc3)c2C#N)C1 1131605756 HYEFVTWQLNJAFV-UHFFFAOYSA-N 425.514 2.410 30 10 IEEE C=CCNc1ncc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1 1135361656 IOTSVYVMWAVDBX-UHFFFAOYSA-N 426.495 2.153 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)cc1OC 1142055928 NZXQBBRQHBBQMI-SFHVURJKSA-N 434.537 2.487 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 1157242125 DFLOYOPGERXPIO-GOSISDBHSA-N 448.545 2.106 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1158369015 VKSQRGZOZMJYKQ-NAJQJYEQSA-N 441.438 2.176 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 1165488878 GDIFGYCLINNALH-IBGZPJMESA-N 433.917 2.412 30 10 IEEE N#Cc1c[nH]c(C(=O)N2CCC(c3n[nH]c(CNC(=O)OCc4ccccc4)n3)CC2)c1 1167521593 YVYGGTORBIDJKR-UHFFFAOYSA-N 433.472 2.451 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)Nc2cccc(N3CCN(C(C)=O)C3=O)c2C)CC1 1206104184 FNHLQBULKILFEI-UHFFFAOYSA-N 427.461 2.094 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccc(Br)cn1 1278959988 NNEAXAGNCSCADS-UHFFFAOYSA-N 431.290 2.419 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC1CC1 1286364828 KZKRLKAZSSLUCY-UHFFFAOYSA-N 432.322 2.312 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286498100 ANPSHTRWRRCWDR-IAGOWNOFSA-N 440.525 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC)[C@H](C)C1 1286548148 RPZHZEKUGUECRH-GGPKGHCWSA-N 439.564 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)CC1 1286564718 HOZKQVULZCBTOS-VGSWGCGISA-N 441.532 2.173 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1286700403 MOEYLZACAPWULA-INIZCTEOSA-N 425.580 2.275 30 10 IEEE C=CCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1286704932 KBQAZLGQMBYLKH-YADHBBJMSA-N 430.553 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286784707 QXROBHJCNJEPGC-UHFFFAOYSA-N 426.521 2.304 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOCC1 1286795295 HXESXWQHNCUWNC-UHFFFAOYSA-N 435.532 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)CC)C1 1286802120 OBRPBSFJUIVCRY-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289201645 QITVSWRXEOUBDR-MMPTUQATSA-N 447.738 2.267 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1 1290985045 CYHRDVYZFLAYCF-KRWDZBQOSA-N 431.500 2.033 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCn1cc(Br)cn1 1293004530 POJSZZLPWJIZOS-UHFFFAOYSA-N 443.309 2.035 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 1294721274 GKWKZHRMJQTANY-SSZFMOIBSA-N 446.529 2.001 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC1CCCCC1)[C@H]1CCOC1 1298185923 CSJGCLAFXUZWNM-IBGZPJMESA-N 438.532 2.403 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nn2c(O)nnc2O)c1 1298668283 PQPJBUBKSQTHRS-UHFFFAOYSA-N 449.876 2.108 30 10 IEEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC=C(Br)C2)n1 1298866383 ONAVVMZIESFCFK-UHFFFAOYSA-N 425.294 2.482 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1300381822 JIAQKEZHVFYKNL-UHFFFAOYSA-N 429.594 2.171 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1300496054 NIBGKQKWGZHBQB-WOJBJXKFSA-N 433.622 2.120 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cc(C)on1 1300527936 MRPKDIVXIOXCFF-UHFFFAOYSA-N 441.495 2.483 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300894529 DNWCGOMCNPGZCZ-INIZCTEOSA-N 444.502 2.180 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301252414 MZHAULMKGMZGPF-DLBZAZTESA-N 448.568 2.173 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1302978931 MAASXPLBKXCKPU-KSFYIVLOSA-N 437.454 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)NCC3(C#N)CCC3)C2)CC1 1312883339 IEYSCRNBYZEGAT-QGZVFWFLSA-N 433.553 2.181 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)c1 1313824572 GYLZNQHWSMXEET-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1F 1315507369 RUUKHHKMIVZVSQ-VGSWGCGISA-N 445.495 2.243 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1316175215 AQQLJVLJNVPBFH-IERDGZPVSA-N 440.483 2.073 30 10 IEEE C#CCCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1347970628 FUBOCZLSQRTDCI-UHFFFAOYSA-N 444.509 2.371 30 10 IEEE Cc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)ncc1C#N 1352669689 HIEPEFDXSBWFGT-QGMBQPNBSA-N 436.449 2.457 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(=O)N1CCOCC1 1358952390 JOKJIJWGTXFAAE-UHFFFAOYSA-N 425.533 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1358974628 MCYQZLHKGFCAPF-QHCPKHFHSA-N 439.560 2.365 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CCN(CC)CC2)CC1 1359038440 WOUVVWXGMBAJSL-UHFFFAOYSA-N 438.624 2.017 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1359111758 MHKBLDUBQGWKCH-UHFFFAOYSA-N 443.596 2.434 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1359149116 NZIYESBBDGYNNX-UHFFFAOYSA-N 441.941 2.162 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1359229678 QSZNDYKTGFQPPB-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)Cc1ccccc1)C1CC1 1359249520 DYNWTHMXMYYENM-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1359270758 AQBMMQHENIGSNP-OAHLLOKOSA-N 425.480 2.239 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359302840 VOABDMHXWNGEKO-OAQYLSRUSA-N 443.511 2.016 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O)NC(=O)OC(C)(C)C 1360486946 IOXQMFZZIBEZAR-HUUCEWRRSA-N 441.536 2.430 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C 1360655808 KYFUTTCIQLXKCT-MAUKXSAKSA-N 446.577 2.211 30 10 IEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCCO1 1360836842 BZJZPJXIDQALGD-GHTZIAJQSA-N 429.546 2.399 30 10 IEEE N#CC1(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCOCC1 1361124672 JCTMCRUEXFNSLI-UHFFFAOYSA-N 425.576 2.292 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1449530580 VKXLIJVRYKANCK-BZUAXINKSA-N 427.542 2.332 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(-c2ccccn2)cs1 1452499178 XFFKVSQXIKZRDU-ZDUSSCGKSA-N 427.511 2.060 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 1460027042 GFJYSYDESMYAMO-IERDGZPVSA-N 427.526 2.388 30 10 IEEE CS(=O)(=O)c1ccc(-n2nnnc2CN[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1460679262 TWMTUCHYRRHZDB-QGZVFWFLSA-N 436.419 2.331 30 10 IEEE N#C[C@@]12CN(CC(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1460823342 HYMWWSNYKVOTRB-AVRDEDQJSA-N 425.510 2.074 30 10 IEEE Cc1c(S(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)sc2ccc(C#N)cc12 1463328758 AFVSARGFTIXNBB-ZFWWWQNUSA-N 427.573 2.078 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1463866543 SNJKEJHCJCAPHD-KSFYIVLOSA-N 443.525 2.216 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)c1cc[nH]n1 1464394737 BHQGQSWPHVPRTC-FQEVSTJZSA-N 441.532 2.283 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(I)c(Br)c1)C(=O)OC 1468876061 UHRLKNRJLFRLFS-NSHDSACASA-N 436.043 2.348 30 10 IEEE Cc1cc(SCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)cc1Br 1472370052 BFFLLYCPJQEJAW-UHFFFAOYSA-N 449.330 2.376 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)nc1 1472622807 PETZUYVYOBLARK-KRWDZBQOSA-N 436.472 2.415 30 10 IEEE COC(=O)C1(C#N)CCN([C@H](C)C(=O)Nc2ccc(I)cc2)CC1 1473477663 XUNSQICCJVJUFT-GFCCVEGCSA-N 441.269 2.397 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1473637412 GKRJYPDKSQNRRT-UGKGYDQZSA-N 447.601 2.447 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1475637524 DVXXAMCZTWOPRU-IAGOWNOFSA-N 444.598 2.109 30 10 IEEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCOC1(C)C 1494642527 HIVNLLBZMKEOEF-MRXNPFEDSA-N 438.532 2.259 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)C[C@H]1c1ccccc1 1505326738 QHDBBZINVNITGW-XHSDSOJGSA-N 439.463 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCC1 1507521918 RSRCKFQXEHLHHT-QGZVFWFLSA-N 444.605 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1507539858 CWOYYAAZZQKVAS-GBWQBGJGSA-N 443.511 2.335 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nccs1 1507707481 XPVHWCYIOWGISD-UHFFFAOYSA-N 445.570 2.134 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507712833 QIBXEXWOYXRJIQ-UHFFFAOYSA-N 445.589 2.320 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC(N)=O 1507808639 YVJSGOKSPZXJCL-HOIFWPIMSA-N 437.548 2.198 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507962538 STSGCAWKWQALGO-CQSZACIVSA-N 429.443 2.170 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC(F)(F)CO2)C1 1508109433 MDRYQXOMLWRBBL-HZPDHXFCSA-N 427.496 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508134966 BIHOALQPUANUGX-UHFFFAOYSA-N 445.589 2.287 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1519386092 VLYWDWZDIUDEFS-GCJKJVERSA-N 443.573 2.174 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1521101232 ARELAEZNJJWALI-SFHVURJKSA-N 433.459 2.362 30 10 IEEE CC(=O)NCc1cccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 1525781137 MFOYHZLVUUYTSK-GFMRDNFCSA-N 428.514 2.388 30 10 IEEE COc1ccccc1CCNC(=O)CNC(=O)COc1ccc(C#N)c(Br)c1 1531073231 BLZNFPQUGFMJCS-UHFFFAOYSA-N 446.301 2.183 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)SC)c1 1539044113 YJXOXNYACQJVPS-RHSMWYFYSA-N 426.546 2.037 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1539126583 YSWLIYMSBGDOGE-BZSNNMDCSA-N 431.537 2.368 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(OC)c1OC 1539171765 OHRVHBUGETWKJU-UHFFFAOYSA-N 439.472 2.149 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539221341 ZXANHEXXNRPWBD-SFTDATJTSA-N 443.617 2.406 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(OC)CCOC2)CC1 1539459792 NYQYROIBQGOXCV-XMMPIXPASA-N 439.560 2.035 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539752040 ZYVHWHUZBOYJMV-FGZHOGPDSA-N 441.576 2.230 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@H]21 1540880009 UQWPDSNJOXUGSL-LZLYRXPVSA-N 431.562 2.490 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(N)=O)C1 1540881110 YLLJLWAGQXMSSM-RTBURBONSA-N 425.533 2.487 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1540928661 HRAHEEUTOLRSCV-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C1 1541994823 DBLFYGAXTLTBNX-QFIPXVFZSA-N 449.540 2.010 30 10 IEEE CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cn1 1547275361 BBLLIPHFWFGVNH-NVXWUHKLSA-N 432.550 2.151 30 10 IEEE CN(CCOc1ccc(F)cc1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554309594 BXRNTAQVUWGKRE-XUTLUUPISA-N 440.479 2.336 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1555154282 AKXUHWYFXNDITC-YVGXBJCXSA-N 429.546 2.255 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1555524971 MAKOLFPJBHDSCB-UHFFFAOYSA-N 433.516 2.058 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1555626940 VEWXJGLJVVQNLP-UYAOXDASSA-N 434.585 2.099 30 10 IEEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1555817314 OCBTVPWNKFSPKC-IBGZPJMESA-N 442.589 2.426 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCO)CCN1C1CC1 1555992692 ZQNGSJBWGJVOBS-MRXNPFEDSA-N 448.369 2.375 30 10 IEEE C[C@H](CC(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557595364 YHJCJCJKFHBAHM-SZNDQCEHSA-N 435.546 2.227 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O 1561154986 QUECPRYWDBMPLO-INIZCTEOSA-N 440.587 2.085 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 1566358750 LPYXOYCJOUBLRJ-JTHBVZDNSA-N 440.565 2.096 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC(Nc3cccc(C#N)c3)C2)s1 1586078526 FIGRAMRQCIWXSB-GOSISDBHSA-N 430.555 2.404 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](CO)[C@H](O)C2CCCCC2)CC1 1586429761 BVXBNPMNMCNKEP-AZUAARDMSA-N 442.516 2.441 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OC 1587305133 BGINDVBCFTTZSJ-KRWDZBQOSA-N 432.521 2.376 30 10 IEEE CC(C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](O)C(F)(F)F 1587970538 WEPMLPREFINEAJ-MRXNPFEDSA-N 435.468 2.104 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588029256 FHVJWYXWNRNSRB-ZBFHGGJFSA-N 436.607 2.211 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=C)Br 1588580936 AAQBNYKYMVMXLM-SFHVURJKSA-N 427.343 2.313 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(c3ccccn3)CCC2)CC1 1588752798 WIBBNAJGVHKEIC-HXUWFJFHSA-N 438.576 2.274 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2nnc(C)s2)CC1 1588930442 WGXXVSISWNJVNY-UHFFFAOYSA-N 429.594 2.235 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1589216085 JIVBSKZKFCRDMP-HTAPYJJXSA-N 444.557 2.238 30 10 IEEE C=C(C)Cn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1593683743 PTPLYYHOZJSLAC-KNQAVFIVSA-N 430.553 2.225 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1593746837 OHBZKOZNCGMHKS-SFHVURJKSA-N 434.562 2.418 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595171840 ZRNPLPVXLLVPGL-SFHVURJKSA-N 443.596 2.060 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1595218372 ITNAPUHWPSNPDK-IBGZPJMESA-N 443.573 2.097 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1595428643 WRZXDDMNABWXOE-UHFFFAOYSA-N 436.560 2.428 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1ccc(Br)cc1C#N 1596496606 ISZUROOSUGPGLZ-UHFFFAOYSA-N 446.257 2.484 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C(C)C)N2CCOCC2)n1 1612476826 BRGBFYQAKQODOL-UYAOXDASSA-N 428.585 2.235 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)[C@@H](C)CC 1616922819 NXOJMDZORMCNDQ-JTSKRJEESA-N 427.553 2.205 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1616929532 NXSHJYGQSWDYKC-OAHLLOKOSA-N 441.347 2.098 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1(C)C 1619533874 JGGFOJOLFPIYJU-WMZHIEFXSA-N 441.532 2.395 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1)OC 1619607175 KENDAEXDGLAGJS-RTBURBONSA-N 429.521 2.251 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1619909627 FBVDQYXMPQRIQG-IAGOWNOFSA-N 441.536 2.495 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)C1 1620054973 QAIRJHGHPJZPOC-IBGZPJMESA-N 440.548 2.363 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCOCC4(CCC4)C3)n2CC(=O)NCC(F)F)c1 1620349167 GSNMIGAXVLLRRH-UHFFFAOYSA-N 430.459 2.205 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1C(=O)NCC(F)F 1622145148 HUEZSHWAEANXIO-LBPRGKRZSA-N 436.278 2.245 30 10 IEEE N#CC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 1626359546 OTZGBPAJYHEDNS-UONOGXRCSA-N 434.396 2.099 30 10 IEEE COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cn1 1630498025 GEDLKPVMQQSUIS-NMWGTECJSA-N 433.534 2.375 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)C1 1632528005 HYVPBHLBLZBORK-YJBOKZPZSA-N 425.489 2.163 30 10 IEEE COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@]2(C#N)CCCOC2)c1 1632566080 HSIBHHJANQZRDO-FQEVSTJZSA-N 431.470 2.460 30 10 IEEE C[C@@]1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1633611338 MYYTYVNMKCMOBI-XXBNENTESA-N 446.467 2.240 30 10 IEEE CC(C)(CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)CS(N)(=O)=O 1635759885 MOYQYBSJNMOXCO-UHFFFAOYSA-N 426.970 2.249 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCc4ccc(O)cc43)CC2)cc1 1641725417 DPTPBSKIALQRBQ-NRFANRHFSA-N 425.510 2.468 30 10 IEEE COc1ccc(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 1644432703 QCIRCNCJUZBUMZ-OAHLLOKOSA-N 428.514 2.035 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)C1 1645986879 OAEBZUFEXCBRSW-DDPYSOHJSA-N 432.565 2.143 30 10 IEEE CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1649576615 UDLJUTGEGZAORX-SXLOBPIMSA-N 446.596 2.384 30 10 IEEE COC(=O)N1CCC([C@@H](C)NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1662877322 DPEJUIATFMQUGC-LLVKDONJSA-N 430.324 2.466 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OC 1665544644 QGIHMAPHBQDDRZ-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE C#CCN1CCC(NC(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1682724585 AVTZUPPOHRNLRM-GOSISDBHSA-N 446.617 2.012 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nn1 1683315404 PZHDXOBIKKYKNH-UHFFFAOYSA-N 439.398 2.423 30 10 IEEE CCON(C)C(=O)CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1686961634 PLFZIGODHBFIJZ-HTQZYQBOSA-N 427.292 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)NCC#C[C@H]1CCCCO1)OC2=O 1687665803 SCHQEYMHQGPOHI-MSOLQXFVSA-N 449.548 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1689824506 QXNMPUSFYWDPQI-YWZLYKJASA-N 435.450 2.422 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1C 1689946902 ZAAINZRTEQEENW-ZDUSSCGKSA-N 429.468 2.333 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCCCS(C)(=O)=O 1689948995 MQVUZRNFVHZQBR-UHFFFAOYSA-N 442.383 2.330 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1snnc1C 1690089716 KPZJZLZZXYHYOC-INIZCTEOSA-N 425.493 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1690144001 IYKZPRWXBIEATN-UHFFFAOYSA-N 449.559 2.440 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1690175046 OXZYYALZOGDAIG-AWEZNQCLSA-N 439.994 2.231 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690198457 OLERRAFQJCCPTA-MGPUTAFESA-N 448.980 2.267 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1690444524 IXPKPDVCPSUNIQ-RBBKRZOGSA-N 449.559 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690726749 KHKPVIBHTINJPW-QZTJIDSGSA-N 436.603 2.394 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 1692847955 LHMRWBUCGBPQJT-OAHLLOKOSA-N 434.953 2.407 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1694791047 FIZHAPZEGYZQFP-ZWKOTPCHSA-N 426.546 2.339 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCCO1 1705526016 CFEXTDDUHQMTQE-GOSISDBHSA-N 431.562 2.224 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1scnc1C 1705550088 ARRYQJXPYKUBSF-UHFFFAOYSA-N 429.575 2.315 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1705564724 CHTAWGOQOMURPU-GOSISDBHSA-N 437.525 2.029 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1705604852 VIIVRQDSECCARC-HNNXBMFYSA-N 428.518 2.051 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)[C@H](C)CC)CC1 1705648743 XMPWWIYHEBAINZ-UYAOXDASSA-N 430.597 2.216 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705708090 XLRJROJFQASWBJ-ROUUACIJSA-N 446.575 2.165 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1705800312 UDTSKQOWXGPIHR-WMZOPIPTSA-N 425.599 2.498 30 10 IEEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705814377 NBSHPMXWQKPBNO-SFHVURJKSA-N 449.577 2.444 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1705903049 PEUWBQKXCBMDHA-DLBZAZTESA-N 445.568 2.291 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1705903051 PEUWBQKXCBMDHA-IRXDYDNUSA-N 445.568 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C2CC2)C1 1705937940 JLVNWOGQWBSSQU-INIZCTEOSA-N 449.602 2.107 30 10 IEEE Cc1nc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C 1706994973 FEHWNESXESWCSB-OXQOHEQNSA-N 432.550 2.169 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1711579091 GFIUTVHONFVITG-NRFANRHFSA-N 440.548 2.458 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1(O)CCC1 1712453947 DUWZVPOCMNUVLW-IBGZPJMESA-N 427.505 2.462 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1712710791 QYHMCCXPRQLFRS-FQEVSTJZSA-N 446.602 2.089 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722366093 PDQJFZCZBQSLNE-ZWKOTPCHSA-N 434.537 2.060 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)C)n1 1722389434 GWJNHPHVYVCQDX-MRXNPFEDSA-N 448.618 2.174 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccoc1 1722426444 IFKDFJFAYQVUNZ-SFHVURJKSA-N 445.520 2.314 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cnn(C)c2C)CC1 1722442437 WUQDGPWYOCFBPY-UHFFFAOYSA-N 449.559 2.101 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722468087 ZMFYLANYDOZSSR-DYESRHJHSA-N 431.562 2.268 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1722511206 XSMXMDMKPWBNHM-PXNSSMCTSA-N 436.553 2.470 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722534447 PLGVDBSPKIRUOV-QZTJIDSGSA-N 430.578 2.474 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)N2CCOCC2)CC1 1722569740 MSZILOBKSSPODP-UHFFFAOYSA-N 425.533 2.435 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1722608476 DZVLUYQLNIFZCN-QGZVFWFLSA-N 426.631 2.413 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H]1COCCO1 1722678724 WNCJENZNAGPIFC-GOSISDBHSA-N 430.505 2.161 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)C1 1730807020 RZJGQPZCVGLNJR-IAGOWNOFSA-N 428.537 2.357 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740590525 HWWJHURXIDKUQN-NYLDSWQDSA-N 442.608 2.012 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740683946 SCCDJGGMMAAOBH-HXUWFJFHSA-N 438.532 2.334 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(C)C)nc2)CC1 1740697672 CADOWQVIGZFVBN-UHFFFAOYSA-N 431.544 2.250 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCc2nnc(C)s2)CC1 1740698470 VJFMGORGHYQHLZ-UHFFFAOYSA-N 427.603 2.478 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1740706386 UJCIURATGYOLIY-JXALWOEJSA-N 443.592 2.486 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1740756626 JSYKVNIJNZLQAH-HKUYNNGSSA-N 425.537 2.021 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1740774207 ONTCZAMCHREOMO-IBGZPJMESA-N 449.577 2.092 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CO)CC1 1740988969 VMDRXRAPRVYJKI-UHFFFAOYSA-N 441.557 2.303 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1741931308 MNTFKLXFBNJBNF-NEPJUHHUSA-N 446.455 2.180 30 10 IEEE Cc1n[nH]cc1CCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1742049489 DWAPQWIQVOPHGR-INIZCTEOSA-N 434.552 2.443 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1746068458 HLTRCYVPFLBAHX-QUCCMNQESA-N 438.580 2.106 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1748718643 RMEFFFIIVGJHJE-VGOFRKELSA-N 446.548 2.221 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1748734304 AWLNLTRUKGZGES-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1748843046 YTNFGLJVTIBDBT-LJQANCHMSA-N 443.555 2.232 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC 1748892507 PPNAJODXJSIUME-RTBURBONSA-N 445.564 2.332 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1749140647 RSFPCLNIFXQHCN-IPJJNNNSSA-N 430.553 2.281 30 10 IEEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C)C1CC1 1749516082 OTOHGMMCWFHPMQ-UHFFFAOYSA-N 435.532 2.354 30 10 IEEE COCCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749591718 NNSVAUCRHNOAAZ-UHFFFAOYSA-N 434.504 2.333 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCCCCC1 1750139872 UEKDYIKWPMLQQU-JLMWRMLUSA-N 448.543 2.237 30 10 IEEE N#CCC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCO)CC1 1750388803 LIABDPAJEOWENM-UHFFFAOYSA-N 437.504 2.123 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1750490476 IDDHWFIEXCSWGF-OKZBNKHCSA-N 446.552 2.158 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1750750663 XNYNDUORHUPSSF-QHCPKHFHSA-N 439.539 2.292 30 10 IEEE CC[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1752530802 GNWKEHJBHKYNJN-MRUHUIDDSA-N 436.557 2.343 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760354554 GDZVZINZFVAKEC-UHFFFAOYSA-N 444.561 2.311 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1760511696 HJQKLWLDKWEAAP-OAQYLSRUSA-N 434.544 2.012 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCSC(F)(F)F)CCOC1 1761291108 HUSXVSUPHONSQW-XJKSGUPXSA-N 435.472 2.300 30 10 IEEE CCOC1CC(O)(Cn2c(CC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 1766153603 AQSFDPVIZFDJAQ-UHFFFAOYSA-N 428.512 2.108 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)C1 1766164771 BHVFNYFRCKLKKH-LJQANCHMSA-N 446.577 2.151 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1768958061 GWLIUJRSFNUGHS-SQNIBIBYSA-N 427.505 2.377 30 10 IEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)NCc3cc(C#N)c(F)cc3F)cc2)CC1 1849993037 WEXDUUHDWDAEPH-UHFFFAOYSA-N 426.423 2.071 30 10 IEEE Cn1ccsc1=NC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1851517524 CZVRJXVACWFCLD-HUUCEWRRSA-N 429.933 2.024 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 1858325721 OJJRQHMASCYJTQ-KRWDZBQOSA-N 439.946 2.094 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862594665 AWUQSPIIZNWLJH-HXUWFJFHSA-N 440.452 2.211 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(CC)CC1 1870755675 UMGCNPZKOPYRCF-UHFFFAOYSA-N 428.508 2.328 30 10 IEEE C#CCOc1cn(CCN2CCOCC2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1871004364 BEAPZSRNKBKJSY-UHFFFAOYSA-N 438.528 2.071 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(NCCOCCO)ncnc21 1873631897 LELAJRGSGPEXPM-UHFFFAOYSA-N 425.445 2.019 30 10 IEEE N#Cc1ncccc1OC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 1892041747 GQGUNAYYEBYYBC-UHFFFAOYSA-N 428.348 2.332 30 10 IEEE C[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 2010126953 MNGUBOPKGCFYSR-CABCVRRESA-N 440.541 2.060 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2039816343 NNPAZSZZNXZSCZ-MRXNPFEDSA-N 435.374 2.220 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060622025 UTBGSMODGXJIOG-LVQVYYBASA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2224097675 MTFZKZQPGZPCAT-WBVHZDCISA-N 433.358 2.093 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2244016344 XLMFUDPENJXABW-JKSUJKDBSA-N 427.542 2.027 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C1CCC1 2247880780 LJXKKKXSUSWSNG-UHFFFAOYSA-N 431.367 2.463 30 10 IEEE C[C@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2247881327 WCECDOXETDEUMG-CQSZACIVSA-N 440.371 2.177 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)CC1CC1 2247882108 JWEHMPAAAXABBS-UHFFFAOYSA-N 431.367 2.320 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255530065 QFULLKLTUFXVJB-QGZVFWFLSA-N 431.342 2.414 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)n1 2255650403 ZHMFVWGVFYQKQN-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255823392 UQWLITRKTQCZCJ-LJQANCHMSA-N 427.354 2.379 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOCCNC(=O)OC(C)(C)C 2255823625 WRCKOIARQZMLHN-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256012938 AFDZUSDJWJOVFM-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256616092 ZJMYEQCTFSBXFW-RHSMWYFYSA-N 432.326 2.295 30 10 IEEE Cc1c(C(=O)NCc2nccn2Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998550 HNSMNUGJDHCIFX-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266999975 QYKAZTMUJCSWPF-KYJSFNMBSA-N 443.353 2.366 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267012603 WZRXPKIWQKUTBT-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1NC(=O)OC(C)(C)C 2267138410 VBXWBNRARVISRN-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267138864 YJNOZHWLNGNKEN-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267138937 ZASWZGHBYQXGOQ-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267276107 XZZRCIJHOQMTIW-UAGQMJEPSA-N 445.369 2.452 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267281805 XRGRLQBGOWVZSO-BJWYYQGGSA-N 443.353 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H]2C[C@H]21 2267494397 DVCUJIUBDXPIIH-JKSUJKDBSA-N 447.316 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550826 FDXZGYBROCGDMN-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267551849 OSHMWFQVLZCYMJ-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879933 NEEXQWVAPVTDLB-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE C[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2300340519 SNUXKAMVVTUOFO-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE C[C@@H](CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2315539397 WHJNYPJYCXUXLH-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccccc1 21322243 AIMUWJAPGLDTEV-YDZHTSKRSA-N 439.501 2.330 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCc3cc(OC)cc(OC)c3)o2)c1=O 101351026 XCWUKPVILJQTNN-UHFFFAOYSA-N 430.486 2.314 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1)[C@H]1CCCO1 254491816 ZQQMDVTXFHNMRT-MGPQQGTHSA-N 445.360 2.230 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 254758442 IAKXZFLSAKKFCH-LPHOPBHVSA-N 444.534 2.302 30 10 IEEE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCO[C@@H](C#N)C1)Cc1ccccc1 409514931 RXVPQEIHKKCUAC-QFIPXVFZSA-N 428.558 2.090 30 10 IEEE Cc1ccccc1Cc1noc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 430036291 OOOSHZGSGVAGLG-UHFFFAOYSA-N 437.525 2.347 30 10 IEEE CCc1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cnc2c1c(=O)n(C)c(=O)n2C 430626683 MEFOIADFEQXFLL-GFCCVEGCSA-N 425.514 2.439 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 438905110 WCGUUMLCHFHBLB-UHFFFAOYSA-N 428.470 2.230 30 10 IEEE CSCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccccc2)c1=O 443547191 BBUXPKPBXCCASD-UHFFFAOYSA-N 435.574 2.439 30 10 IEEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)s1 476319048 KAMHHLOAJGQPBX-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE Cc1nc(C2(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCCCCC2)no1 480664671 BANDWDHQQZFCNF-AWEZNQCLSA-N 431.518 2.282 30 10 IEEE CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 481336365 BRAXBWBUMBSCPG-MJGOQNOKSA-N 434.562 2.168 30 10 IEEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)C1 505864869 RXNVXHIDLGUPOW-ROUUACIJSA-N 426.536 2.378 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508828159 UKIMHANDBKPJMQ-ZDUSSCGKSA-N 430.875 2.456 30 10 IEEE CN([C@@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 540069340 PETFAPVXFJRWRR-OAHLLOKOSA-N 426.267 2.307 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 540967039 JPWVJJJGFAHRBK-WMZOPIPTSA-N 429.912 2.063 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)Nc3cccc(I)c3)CC2)n1 545505517 VIEATYPRLPPDMB-UHFFFAOYSA-N 447.280 2.319 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC(C)(C)CCC#N 564199527 VLDWOEBRRSOFTC-UHFFFAOYSA-N 436.578 2.081 30 10 IEEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cc(F)ccc1N1CCN(C)CC1 586845516 HSILFHZXULHVOV-HNNXBMFYSA-N 441.482 2.082 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)cs1 590943645 OPUFFLKIHSSILQ-UHFFFAOYSA-N 436.562 2.098 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 603657351 FMSBJXNUJNXODM-UHFFFAOYSA-N 434.500 2.309 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(F)cc1 603789071 QTOQFBMFJIBWLQ-UHFFFAOYSA-N 437.471 2.303 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1C[C@H]1CCCO1 603798163 JFSFAQNJMZAGIF-LJQANCHMSA-N 439.581 2.071 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)CC(=O)N2C)cc1 609701679 RMZRDKYDJSMUSI-RXVVDRJESA-N 449.511 2.300 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 612193242 ABNJOQTUKFZKRD-KRWDZBQOSA-N 426.538 2.216 30 10 IEEE C[C@H](Cn1cncn1)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 732878168 KYDNWWBKIKHUHN-LIDWSNAKSA-N 433.538 2.081 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)CC(=O)N2C)cc1 734916767 GEQFHCOZLCUDGF-QKYXUNIQSA-N 427.501 2.489 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 751935132 WKJNEEPIKPNJNJ-UHFFFAOYSA-N 425.555 2.331 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC(F)(F)C2)c1 757920822 GOZKDSBNZMWDJW-KRWDZBQOSA-N 434.512 2.465 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 757988922 QPAODCRXIHVAOQ-IBGZPJMESA-N 435.509 2.361 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CCN1C1CC1 769255886 ZBXFDNXODHQNBG-OAHLLOKOSA-N 432.406 2.028 30 10 IEEE COCCOc1ccc(Br)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 778492933 JEUUSWJKZJZIPA-ZCXUNETKSA-N 438.278 2.329 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1C 780848792 RHNKQUCNZKTKPC-NRFANRHFSA-N 441.553 2.358 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC)c1 783453394 VJQMZWGVSYHNNM-UHFFFAOYSA-N 432.480 2.003 30 10 IEEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 800888001 KCHMXRDKUIYFLO-ZDUSSCGKSA-N 440.241 2.320 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]3C)cc2C1=O 807803132 YUNPVHFAHRQCKQ-MKBNYLNASA-N 437.418 2.386 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccc(OCC#N)cc2)c(NS(=O)(=O)C(F)F)c1 1116446114 XSIOXILMGQAVRM-UHFFFAOYSA-N 447.441 2.363 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)C1 1116538918 FOHMLQBDCVZVMI-IRXDYDNUSA-N 444.557 2.394 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1129628276 VCTWGOAPJNFKBG-FQEVSTJZSA-N 445.585 2.326 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)C2 1132643290 HMHGLUDZQWERIY-KRWDZBQOSA-N 445.928 2.130 30 10 IEEE CC[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)S1(=O)=O 1140279200 MVJGESLVQVLWOB-MLGOLLRUSA-N 440.363 2.181 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCOc4c(F)cccc43)CC2)cc1 1141413957 NQDOFRNUBSMUCM-SFHVURJKSA-N 429.473 2.097 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(OCCO)c(OC)c3)n[nH]2)c1C 1141898540 KVJMCKCSXNMIBO-UHFFFAOYSA-N 425.489 2.386 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3OCC)CC2)ccc1F 1154873137 FVABEZFCFQVSIA-UHFFFAOYSA-N 448.520 2.046 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1158576029 ZRGVSHSNOKXCTJ-INIZCTEOSA-N 430.486 2.012 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)OCC[C@H]3C)nnc12 1184470948 QFKBPYHXLCZEFU-HUUCEWRRSA-N 427.530 2.348 30 10 IEEE CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336078 BADHGKMPOXSYID-UXEPBGEESA-N 445.310 2.063 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(F)c1 1210549199 CJQSDOQZMJCCAJ-AWEZNQCLSA-N 441.481 2.136 30 10 IEEE C#C[C@H]1COCCN1C(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1255284471 HDODXPNTVHKJAV-NRFANRHFSA-N 442.560 2.283 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)c(F)c1 1256149845 RBQFVSBFAHTROI-HNNXBMFYSA-N 426.452 2.025 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1 1286279053 JNGLYXDZLPAHCV-HZPDHXFCSA-N 433.603 2.406 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286386825 IBMHZJAWEZROPL-PKOBYXMFSA-N 444.605 2.020 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286386865 ITGBISBWUQEWEE-HOTGVXAUSA-N 437.516 2.346 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286404968 WMISFLPTVHEXJA-HNNXBMFYSA-N 434.468 2.054 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccnc(OC2CCOCC2)c1 1286459392 OOYKDFZLANYUGC-UHFFFAOYSA-N 448.527 2.427 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1286470043 RAXQPJJKFQCBPE-OAQYLSRUSA-N 436.604 2.426 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286506880 PFSRUUQCNAUNBF-KRWDZBQOSA-N 439.651 2.410 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286538875 SUQCTIGNCHGLIB-CXAGYDPISA-N 426.315 2.459 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1286582414 YGCXIVPJUNYQFC-UHFFFAOYSA-N 447.609 2.289 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1286594040 XWYAHVHLAYMLEO-RTWAWAEBSA-N 441.576 2.310 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1286783633 XJINKDUFUAZHBC-LJQANCHMSA-N 446.983 2.448 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1286967723 FWNABSKDNZWZAX-PKOBYXMFSA-N 431.562 2.383 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCc1ccccc1 1288826742 UWFCCMRIBMVGJO-OXQOHEQNSA-N 434.541 2.353 30 10 IEEE CN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(C#N)o2)CC1=O 1298886636 DBBWALIKQLCARN-UHFFFAOYSA-N 441.289 2.499 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)C1 1299074850 QKBIWCLHJVQUHR-CQSZACIVSA-N 425.880 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1300309088 SBVGENILCHLVGD-HZPDHXFCSA-N 426.546 2.147 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)CC 1300555382 YAEDDPBJPRUUJC-QFIPXVFZSA-N 427.936 2.485 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOCCS(C)(=O)=O 1301278812 SBJFKUSWKXFAJD-UHFFFAOYSA-N 449.396 2.453 30 10 IEEE C=CCn1c(N2CCCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1301473427 BSCVYAVHAMBWBB-FQEVSTJZSA-N 433.582 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1 1301577985 QQWUVJNDNMUXBG-NRFANRHFSA-N 427.530 2.034 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1301954299 XITJPAFODZKATH-CYBMUJFWSA-N 436.442 2.161 30 10 IEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC2=CCCCC2)C1 1302477716 FNZBNMJHQROULS-IBGZPJMESA-N 448.593 2.241 30 10 IEEE CS[C@@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302676444 CYHMGSFBBZNBIA-YLEKHRKWSA-N 446.577 2.378 30 10 IEEE N#CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1302999555 AGTNTDGNAIDAQD-INIZCTEOSA-N 427.896 2.327 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCN(C)C)cc1 1305944371 JZJGVJCUHQKWLB-QFIPXVFZSA-N 437.592 2.262 30 10 IEEE COc1ccc(Br)cc1Cc1nnnn1CC(=O)NC1(C#N)CCCCC1 1307310528 UZGFIYPATOCATR-UHFFFAOYSA-N 433.310 2.378 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)n(-c2ccc(F)cc2)c1C 1308120349 IJCHVGXJHKXGQK-IYBDPMFKSA-N 430.505 2.020 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)C2)n(C)n1 1312607957 IRDFJMWSAPEXRP-IBGZPJMESA-N 425.512 2.240 30 10 IEEE N#Cc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)cc1 1354062607 JKMVRDRXHARRFC-UHFFFAOYSA-N 430.209 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCN(CC)CC1 1358880742 RTFDHEOGHAKITH-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1358894108 ILQPPDUGILKYTQ-FUHWJXTLSA-N 440.573 2.232 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358951313 QYMCDQBCQTZPBY-MRXNPFEDSA-N 426.521 2.187 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCn2ccnc21 1359019394 UJBAUOBZZAIYEW-CVDCTZTESA-N 442.564 2.179 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359025037 BAVXOLKDNMJKMW-IBGZPJMESA-N 426.565 2.231 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC1 1359035693 BNALENQSBILGIS-GOSISDBHSA-N 444.580 2.142 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359057178 UMIXPVPXARLNBQ-KRWDZBQOSA-N 440.548 2.486 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)(F)F 1359071885 HKUUIYLXHQIJON-QGZVFWFLSA-N 426.468 2.304 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1359106724 OQWIDGNZZOYAPH-UHFFFAOYSA-N 440.548 2.442 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1359241405 PMUGGEHATXGQML-QGZVFWFLSA-N 431.541 2.185 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1359291021 BLIGMESKYFHFIG-INIZCTEOSA-N 447.499 2.015 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)nc2)C1 1359312365 SZKSSQLZFDMUHF-QGZVFWFLSA-N 435.488 2.159 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1359331760 HKKSIKNATCZXKW-UHFFFAOYSA-N 437.516 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CC1 1359560758 HBQSYHJRLDKLGQ-KRWDZBQOSA-N 446.552 2.241 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1 1441015572 YRDKAXCHEYQOIK-WBVHZDCISA-N 445.463 2.281 30 10 IEEE C#CCOc1ccccc1CNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1444158419 VSOXOYQIWTYLKF-GOSISDBHSA-N 429.517 2.078 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCCCCC1 1456100717 HMPJWFBCWDQWOD-SFHVURJKSA-N 435.546 2.286 30 10 IEEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1CCOc2ccc(Br)cc21 1465179539 GPXFXLAVEUOFDV-SWLSCSKDSA-N 429.336 2.062 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1466172460 LCMXJZNQESEDPX-HTWSVDAQSA-N 446.504 2.216 30 10 IEEE C=CC[C@@H](CO)CNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1466522600 RLKBECZYDWPZFQ-CHWSQXEVSA-N 429.468 2.312 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1466801921 HPYRYELFVKCSJH-VAWYXSNFSA-N 429.480 2.456 30 10 IEEE CN(C)C[C@]1(O)CCCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1467710869 GBDLYVIIQLLSLI-HYBUGGRVSA-N 442.560 2.308 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1469398683 UTDGLFTVYKEOAS-RHSMWYFYSA-N 435.546 2.237 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)c3cc(F)cc(F)c3)CC2)cc1 1472046364 BQVHAUZPEJLTMO-UHFFFAOYSA-N 447.463 2.236 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1496474172 ADEJIWQHEBPKLS-YZGWKJHDSA-N 443.573 2.374 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1501406659 DFDAQTUFQLDNMI-YGKZAACZSA-N 438.532 2.068 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1507514771 TVMFTLDVVLWIJM-SFHVURJKSA-N 437.548 2.028 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCCC)CC1 1507571571 GBMRDLVQTORENU-UHFFFAOYSA-N 428.581 2.450 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507630429 YQSUOBZELRSESQ-UYAOXDASSA-N 428.558 2.305 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634181 WZMPOLDQBZFOGA-NHCUHLMSSA-N 442.585 2.432 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507806691 IXORKPFYDQFPAD-MQBSTWLZSA-N 447.580 2.040 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1507807237 LQVLCOHHRNBEGA-UHFFFAOYSA-N 433.578 2.412 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1507807770 WGLYKSVDXWFWFU-GJYPPUQNSA-N 430.578 2.317 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1507843857 WIBGMJSVVPZPHN-GOSISDBHSA-N 428.512 2.288 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1507893492 JHMRJVFOSAIEPD-QFIPXVFZSA-N 448.637 2.027 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1507945020 ZSJLXEBUTYNFMO-KRWDZBQOSA-N 433.578 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1508088466 SFMVXZIZROFJIY-HNNXBMFYSA-N 438.454 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)C1 1508115331 IVLQCWPXVHLHSZ-SBUREZEXSA-N 441.532 2.222 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1508169040 XCGZMQRTAXWXAE-FXAWDEMLSA-N 433.582 2.282 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1510327412 WETIWARUYUYKHD-ROUUACIJSA-N 429.546 2.255 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1 1517123469 CVEMILOFXSUMIT-MSOLQXFVSA-N 431.587 2.441 30 10 IEEE COC1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1518561147 BCXHRIUMPYNFSW-JLAWEPINSA-N 438.532 2.246 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCO[C@@H]1C 1519149562 AOKDEXNMCLYJSB-HCLVMJGWSA-N 441.532 2.194 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCCOC(F)(F)F)c1 1521083133 SJGCCAQPWBSGTJ-QGZVFWFLSA-N 436.438 2.264 30 10 IEEE C#C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccccc1 1526565216 KBQHAIJZHAVFHR-IAGOWNOFSA-N 430.482 2.100 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3ccccc3Br)CC2=O)cn1 1529753271 JXCOCRZTSYZRHG-GUYCJALGSA-N 446.305 2.026 30 10 IEEE COC(=O)c1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(F)c1 1533859170 NDFFLCXAGYRSAF-SFHVURJKSA-N 438.415 2.005 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1cccc(C)c1 1539413548 MPMCMVFDOWISFD-HXUWFJFHSA-N 425.533 2.344 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539889987 GFWOHZNYWPUZAX-GOSISDBHSA-N 449.621 2.231 30 10 IEEE CC(C)OC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1541742685 ULBFETIOCQIGTP-OAHLLOKOSA-N 433.534 2.087 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1541803346 GPBTTZBYTKUXDK-KBAYOESNSA-N 428.512 2.394 30 10 IEEE CN(CC#N)C(=O)Cc1cc(I)cc(I)c1 1544614206 BVKWRLQFOCOKAO-UHFFFAOYSA-N 440.022 2.420 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1554205961 KPTSABSQBAJECH-SFHVURJKSA-N 435.488 2.268 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 1557048783 MMMWJFMSVYCMHQ-DOTOQJQBSA-N 435.546 2.021 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1557057576 DCSPUWPMJGMKGI-KRWDZBQOSA-N 435.546 2.197 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C2)nc1 1558464635 KNZPZFGRGONSDV-NSHDSACASA-N 425.923 2.032 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)nc1 1558464828 OTSISDVJMAQPLG-KRWDZBQOSA-N 436.472 2.415 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)cc1 1562235430 DCFHRDFNZAWAOK-KRWDZBQOSA-N 442.491 2.477 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 1568181040 DIZDIWMYGWVRGH-LAUBAEHRSA-N 429.473 2.152 30 10 IEEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc12 1583811511 FYGABNVQTWQQSX-SUMWQHHRSA-N 425.514 2.125 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2C1=O 1584005823 DZRVEDOJBSLJIR-HSZRJFAPSA-N 443.500 2.224 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C 1586566147 OHVYQLCGYZYJPC-ZIAGYGMSSA-N 426.498 2.334 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)C3CCN(Cc4nccn4C)CC3)c2C#N)C1 1586961868 GFYQFWYIRDYTGK-UHFFFAOYSA-N 426.546 2.109 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COCc1ccccc1 1587640099 OQTZUZHAJKCDEB-CMKODMSKSA-N 430.574 2.491 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1587667551 KCRQKECAFSABSW-QYWGDWMGSA-N 429.546 2.066 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1587872300 DIUQYPHEXGGVHH-UHFFFAOYSA-N 430.574 2.499 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588035339 SDSOKUWJJLHOBL-OAHLLOKOSA-N 428.436 2.160 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](F)COC 1588133347 DPYBPCWMXSZVIE-SFHVURJKSA-N 433.528 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCCC1(C)C 1588139597 PXVJSXHUVQFLTB-RUZDIDTESA-N 447.587 2.466 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1588384900 CZOZOJCRSPRPPK-QZTJIDSGSA-N 431.562 2.070 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOCC1(C)C 1588451736 GUHJZAONZXOGJF-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)N(C)C)CC1 1588769463 SOPTWXJPXSDOJI-AWEZNQCLSA-N 437.411 2.474 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(Cl)c(OC)c2)CC1 1588813075 VUXSLTFHCVONQJ-GOSISDBHSA-N 429.952 2.442 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2C)CC1 1588892074 WOUFERCMQQWTJU-LJQANCHMSA-N 439.560 2.325 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1589559778 UQACYCBHXHOQPZ-LAUBAEHRSA-N 445.589 2.259 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1595544629 KWSUBWKPCUSTGQ-HKUYNNGSSA-N 446.596 2.199 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)S[C@H](C)C1 1595561814 COTVLGSVBDQRQR-IYBDPMFKSA-N 425.562 2.149 30 10 IEEE COc1cc(/C=C(/C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc2)ccc1O 1598568319 UDUDXNDXEFDEIA-WXMPBMKZSA-N 438.505 2.338 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1603673764 LHOPKOHURUKOSG-KRWDZBQOSA-N 431.491 2.494 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)F)C1 1611244195 GXDGEZVDGJDHHZ-WCQYABFASA-N 429.445 2.172 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 1616346074 FKZZIYIMVTYANC-SADKCHQCSA-N 430.464 2.026 30 10 IEEE C=CCn1ncc2ccc(NC(=O)Cn3cc(S(=O)(=O)N(CC)CC)ccc3=O)cc21 1618034688 XRLCHPDADSTJIS-UHFFFAOYSA-N 443.529 2.053 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1cccc(F)c1 1620110966 HBTLRYVGQQQXRX-LPWQTFTOSA-N 445.495 2.337 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 1632363878 LLXGFPMHAIBHQN-YTQUADARSA-N 433.574 2.319 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 1634671505 LASOKGASRZWDTP-CQSZACIVSA-N 443.591 2.223 30 10 IEEE CC(C)(C)OC(=O)[C@](C)(CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 1639781893 HFRNXUJNZDWAQR-LJSVLAKTSA-N 427.501 2.319 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1643523795 JHZAVNOQDKBMER-KRWDZBQOSA-N 427.526 2.356 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)Cc1ccc(S(=O)(=O)N3CCCC3)s1)C2 1648291645 NVCVFMXVQUNFOX-UHFFFAOYSA-N 436.584 2.175 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](COC)C(C)C)nnc12 1649082674 QFNORIUQXHBKLU-OAHLLOKOSA-N 429.546 2.357 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)nnc1-c1ccco1 1651430811 SKTBQHFEIJKDRK-CABCVRRESA-N 436.559 2.099 30 10 IEEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 1671506050 BHYJDXXBUOMJLU-UHFFFAOYSA-N 443.529 2.229 30 10 IEEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1681581492 DPYRBRZCSZLVJY-UHFFFAOYSA-N 442.541 2.010 30 10 IEEE C=CCC1(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCCCC1 1681825378 VBRNBGFTDMFBNF-UHFFFAOYSA-N 435.546 2.409 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1684300347 NIVKJILZEWCADF-AWEZNQCLSA-N 433.983 2.236 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)c1ccccc1 1690103220 BBBXGTWJLQMRSK-AZUAARDMSA-N 430.574 2.460 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1 1690110568 QVLWTVCBXZLNFR-YKSBVNFPSA-N 442.608 2.157 30 10 IEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690159818 NKLGOVBGOPCIQH-HNNXBMFYSA-N 448.499 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CC1 1690259789 WWLRJZFOGSGAII-PMERELPUSA-N 426.550 2.234 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1690319739 XEUXBMJPLKBWIC-SFHVURJKSA-N 431.512 2.110 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CCOCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690359316 YDGGIEGBJNVYOL-HXUWFJFHSA-N 427.977 2.230 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1690465145 STUQEVPJWRWGPT-RTWAWAEBSA-N 438.576 2.487 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1690516559 MLUAHMPBDLRFNB-NRFANRHFSA-N 434.562 2.415 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCS(=O)CC1)C(C)C 1690580880 HSURGLQHNDWKDS-IBGZPJMESA-N 429.594 2.002 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 1690678266 QDDCLUOPFIHYEF-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690724560 RPTKIDWCXHOYSQ-ROUUACIJSA-N 438.594 2.252 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1690997242 GTFMJHFMQVGIOO-HZPDHXFCSA-N 445.545 2.137 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1705489325 NELLDKTXCJCSFE-DLTPIXJPSA-N 443.511 2.421 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539242 NADXPJQIUSWRHJ-JOCHJYFZSA-N 443.573 2.368 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCc2ccccc2C1 1705540627 HSNNOEFGKQIZHB-UHFFFAOYSA-N 429.528 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](SC)C(C)(C)C 1705588403 DWSLPFSYECFINH-HOTGVXAUSA-N 425.624 2.129 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705637178 MIEYHMKKMPYKFP-JOCHJYFZSA-N 440.567 2.196 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1705678033 LUTMMRBQCOLLEL-HRAATJIYSA-N 432.521 2.423 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 1705709448 PNDBQCOQUZBCHR-UTKZUKDTSA-N 446.573 2.416 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705739197 XXEATRFQUCWZAS-QFIPXVFZSA-N 439.608 2.073 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705828975 DKCPODZFEYGYQL-UHFFFAOYSA-N 425.599 2.389 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCN(C(C)C)CC2)C1 1705926813 LEYAVJDIXLWXLZ-NRFANRHFSA-N 440.592 2.281 30 10 IEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1706557848 VGXPZIAIKVCMSD-HSZRJFAPSA-N 440.548 2.065 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@H](CN3CCCCC3)C2)n1Cc1ccc(C#N)o1 1706602611 RRHZEBDYQNYRMR-KRWDZBQOSA-N 425.537 2.241 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1707803024 FBEIYMGKIISJFT-SFTDATJTSA-N 431.516 2.159 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCSC)CCN2C1=O 1710173941 SXKVDVRHZPYBHN-KRWDZBQOSA-N 439.545 2.043 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CC1 1711072762 JRYSUJKMYTUCJP-GOSISDBHSA-N 429.546 2.257 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCO[C@@H]1C 1712458920 BODSOQIRKWMDTE-WZONZLPQSA-N 438.532 2.187 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722324963 CDYPBPYGLSYWIZ-MOPGFXCFSA-N 441.557 2.009 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1722404861 DXFSMNSCHACSFQ-INIZCTEOSA-N 431.924 2.390 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H]1C 1722405731 GMCIZQZRNDTZOO-SFHVURJKSA-N 444.605 2.139 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)Nc2ccccc2)CC1 1722439941 VUOIEEKQPWMKPN-UHFFFAOYSA-N 429.528 2.048 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722494069 MEJMFCJVHQKSBM-BZSNNMDCSA-N 443.552 2.473 30 10 IEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NC)CC1 1722536587 XRYWNTRSBQMDSZ-UHFFFAOYSA-N 437.548 2.335 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1722671705 BQEBBJQZJDNLDK-IBGZPJMESA-N 443.573 2.157 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC(N)=O 1722694196 NUMMHZFNXWIMBC-AWEZNQCLSA-N 430.578 2.278 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1722738620 MNSYIYBOTQPTTE-BBWFWOEESA-N 426.608 2.105 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCCCO 1723337961 MYUIOURPZOBBRW-SFHVURJKSA-N 426.569 2.406 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1 1726445038 BGRRLUUMRUGLDG-QGZVFWFLSA-N 430.516 2.381 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1740532962 NKTGTYDOSWDJHJ-BBWFWOEESA-N 448.568 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1740533912 VQJICYNFQHFSNA-UONOGXRCSA-N 439.969 2.251 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1740536268 CDAZOKWALVXEOB-IRXDYDNUSA-N 443.548 2.150 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1740540532 WFJCRBAMBHLOFM-LBPRGKRZSA-N 430.310 2.351 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCC[C@@H]2C)c1 1740564644 SWVFDFSPIBJWIY-AZUAARDMSA-N 436.560 2.323 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cccc2[nH]ccc12)[C@H]1CCS(=O)(=O)C1 1740627967 LZWZVUJNLCYDOH-SFHVURJKSA-N 441.557 2.165 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740718630 SIASOCCNAUOCHM-UHFFFAOYSA-N 425.624 2.068 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740719577 HGYPEYCUHKBTRH-UHFFFAOYSA-N 439.651 2.237 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CCC1 1740959551 ZLIWDQCHVUYFEP-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1741001714 BOLXNSKSMGRAFB-ZACQAIPSSA-N 426.608 2.105 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)OC(C)(C)C)n1 1742699321 DOFSGHSQWFNQTD-HXUWFJFHSA-N 432.504 2.106 30 10 IEEE CN(C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747587673 MBZLUKBWSQAXOZ-UHFFFAOYSA-N 446.559 2.387 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1747814643 HATMRANMAIKFKJ-UHFFFAOYSA-N 435.525 2.062 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C1CC1 1748648157 ZHEVOJPBXSPEGK-MRXNPFEDSA-N 443.621 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748810454 WMEIKMBTOOKJSG-GOSISDBHSA-N 430.574 2.431 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1748857843 GFBIPEJWOSPVIK-RTBURBONSA-N 443.548 2.084 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccnc(-n2cccn2)c1 1748959032 LFOMSCFMCFSYCK-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749037732 HOSSMUUCLFFHER-GOSISDBHSA-N 434.654 2.270 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749083360 DZIYLMVSCUMWRI-UKRRQHHQSA-N 444.374 2.345 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)CC1 1749330605 ITAUYJGASFCWAC-HSZRJFAPSA-N 433.597 2.443 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1C(C)(C)C)C(C)C 1749558629 XBNRDGIMUIHHBW-RBUKOAKNSA-N 429.613 2.488 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749664196 HWKSRGYMLKBFEN-OAHLLOKOSA-N 430.484 2.101 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1)C1CC1 1750202438 GSZFEXKRILQOQC-INIZCTEOSA-N 429.546 2.257 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1760117563 QIUSRCNGIUBKOB-HBFSDRIKSA-N 445.589 2.263 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1CCN(Cc2ccccc2)CC1 1760207195 ZLPJPQDIJSQZTJ-UHFFFAOYSA-N 444.583 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1760252061 BNZVBXBXAJZALA-OAQYLSRUSA-N 434.924 2.402 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CC(N)=O 1760272151 AHCCWWACRBQOND-INIZCTEOSA-N 428.562 2.214 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760278541 YCKNPBYXMJRJIB-KRWDZBQOSA-N 433.603 2.090 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760358062 QWVADZXYEIBLJZ-HXUWFJFHSA-N 425.533 2.337 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1760396959 LWRXNTAFJZDVJW-OAQYLSRUSA-N 438.594 2.298 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760433217 CDGGURUEEVMASQ-KRWDZBQOSA-N 426.521 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccco2)C1 1760556554 HYISEUIJRUXMCK-LJQANCHMSA-N 443.529 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1760777918 DFJZYAGOXMYSLY-DLBZAZTESA-N 443.552 2.369 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1761060308 BPFDOWBWSIJYQX-RXVVDRJESA-N 437.610 2.497 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1767063902 OWMKQPBVIUNQIQ-QGZVFWFLSA-N 449.540 2.056 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC[C@@H]1COCCO1 1767907963 KGRKCAQGYBBPHB-HXUWFJFHSA-N 440.548 2.208 30 10 IEEE COC(OC)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1768142747 VDUFXJSUAQKHSG-QFIPXVFZSA-N 442.495 2.296 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)N1CCC(OC)CC1 1770177445 PZNSITWNANQVMQ-HBFSDRIKSA-N 448.612 2.487 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1770216739 FUJURFLKRGTGHE-LESCRADOSA-N 430.509 2.065 30 10 IEEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1770340507 ULSGIECUHANNAT-LJQANCHMSA-N 445.545 2.094 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccc[nH]3)n1CCCOCC(F)F)C2 1770736204 VPUSXBATJXZYJD-UHFFFAOYSA-N 429.431 2.480 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1771188233 UTMYZOASNKUVLR-SFGWALBWSA-N 433.553 2.470 30 10 IEEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)n1C 1853606774 WRTMRYZRCBHNBV-KRWDZBQOSA-N 427.553 2.085 30 10 IEEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)c2ccccc21 1853614657 LARBLYAMBJYYQN-QFBILLFUSA-N 432.546 2.263 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H](F)CC(F)(F)F)C(=O)C3)C2)cc1 1854214278 HBAXVWZHNVROCB-IAGOWNOFSA-N 426.414 2.094 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855869918 JRWVGPTUWLZSTJ-IBGZPJMESA-N 431.558 2.022 30 10 IEEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](CN2CCC3(CC2)C[C@@H]3C#N)CCC1=O 1857295745 WCJZKRBQEKARJE-IAGOWNOFSA-N 429.542 2.095 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862739697 FCUZIMFOBRPSEQ-PIGZYNQJSA-N 427.369 2.462 30 10 IEEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCOCC1 1870581887 HUMVNXHGXRLZEM-UHFFFAOYSA-N 449.592 2.279 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705445 JHLQCIGTUXNCPS-UHFFFAOYSA-N 443.508 2.129 30 10 IEEE CCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874525251 DVBNKBRIDICSMX-AWQFTUOYSA-N 430.446 2.338 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 1891200013 BZHVGMFHTHTCTI-UHFFFAOYSA-N 434.924 2.120 30 10 IEEE C#CC[C@@H]1COCCN1C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2009793705 KXPACWUQISXFEN-MOPGFXCFSA-N 430.501 2.264 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2010228067 XEDSYVOGGXPHMD-IKGGRYGDSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@]2(CN)CN(C(=O)OC(C)(C)C)C23CCC3)[C@H](C#N)C1 2018787296 VYUSEYUYALQAGP-ZHRRBRCNSA-N 435.569 2.302 30 10 IEEE C=CCn1ncc(NCC2(COC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2178019444 CWYQLTWPWUIKQD-UHFFFAOYSA-N 443.342 2.487 30 10 IEEE CO[C@H]1CN(c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2224093778 OYDLTYUIUYVCDM-SJORKVTESA-N 433.358 2.418 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CC1 2247917009 APJXTAKNWDFYBP-CQSZACIVSA-N 437.371 2.475 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247928006 UTSYLDVRMOCAFM-ZDUSSCGKSA-N 440.371 2.005 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](O)C1 2254790844 DIIGQHXGISEUNX-CABCVRRESA-N 437.321 2.302 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNOCc2ccccc2)c1 2255545307 OANTXXLYDLDRSE-UHFFFAOYSA-N 426.322 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626863 LHMPVLGDIWZGCA-CQSZACIVSA-N 434.346 2.086 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2255631853 FRTFXTBEYAIZDD-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CO[C@H]1C[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2258959355 QHGISQXIUBWSOP-IRXDYDNUSA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267140265 PGIIRLJBHMMXMW-DZKIICNBSA-N 446.357 2.084 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267197015 UWFNZYLEHMVSEL-ZBFHGGJFSA-N 448.373 2.143 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267521403 RRCMCVIHXWUINT-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267878880 CQHCKNPVZSAJFT-SHTZXODSSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268702011 GZBZSDKFEWFZEW-KRWDZBQOSA-N 448.369 2.266 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278704563 VEEACUVABKLBCP-GOSISDBHSA-N 448.369 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@H](N)C#Cc2ccc(Br)cc2)C1 2278809178 JTBGEJPKLKTFKR-CVEARBPZSA-N 443.363 2.162 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298380234 FELIGLHSBZGXCN-XHSDSOJGSA-N 442.387 2.349 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2302369922 OXGCKHYAINRLSH-QGZVFWFLSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)NC[C@@](C(=O)O)(C1CC1)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2305243812 HMCPTXOTNQQTNZ-CVDCTZTESA-N 428.533 2.454 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)n1C 2315526482 LTADRLHQCTVSHD-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE C[C@H](CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2315539398 WHJNYPJYCXUXLH-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CC1(C)OB(c2cc(N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)ncc2F)OC1(C)C 2322308870 KTOIQFKUWCSEKJ-LBPRGKRZSA-N 431.239 2.415 30 10 IEEE COC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(O)c(O)c1 2328499593 CIHUFYDJAKJMAM-UHFFFAOYSA-N 443.441 2.336 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1CC2=NO 2381952049 NYDLBEUOQQIKGY-GLJUWKHASA-N 433.530 2.247 30 10 IEEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)c1 102498698 BXLMHOFNMMDNHX-LCPUNJGISA-N 426.469 2.432 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1C 103092287 GKYVWSTVHQVPLG-ORKPOYISSA-N 429.473 2.385 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 435714261 JHJXFBAUOMPPMP-INIZCTEOSA-N 445.972 2.080 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)CC2)c1C#N 460513566 ANZNWDMFNOQGNU-AWEZNQCLSA-N 431.953 2.482 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 460961860 WGMRWRMDDPFRAK-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 481465456 KBUDIXDRBUPCLM-NQIIRXRSSA-N 440.569 2.396 30 10 IEEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 483221364 ZPDAFRUUJILVNO-JWHDQAAXSA-N 430.505 2.395 30 10 IEEE CCN1CCN(C(=O)CC2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 503089452 WESDTYKSIYOXTH-QHCPKHFHSA-N 434.581 2.041 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c2=O)o1 514474995 DNGNGJYTBIAHMY-SFHVURJKSA-N 435.505 2.132 30 10 IEEE CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 514682179 LRAVUOHQBWLSQS-MRXNPFEDSA-N 427.530 2.340 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2C)c1=O 523736371 YUIYVWBBFQWTCM-UHFFFAOYSA-N 442.512 2.183 30 10 IEEE Cc1cc(C)c(C#N)c(SC2=C(N(C)CCO)C(=O)N(c3ccccc3C#N)C2=O)n1 526696682 KJAJLIPHDTXVBK-UHFFFAOYSA-N 433.493 2.243 30 10 IEEE Cc1cccc(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1C#N 533645963 UEEXUBYAXXQAOM-UHFFFAOYSA-N 440.525 2.047 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)c(Cl)c1 558484000 OVIDRWGTTBYIGR-UHFFFAOYSA-N 440.934 2.274 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 570908831 AJTKYOJGYPXDLU-CABCVRRESA-N 430.530 2.495 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3F)cc2C1=O 607028843 GSFLPAYEUWEHHI-UHFFFAOYSA-N 431.445 2.110 30 10 IEEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CC1 611091258 LKADJKYYOCKECI-GOSISDBHSA-N 440.569 2.297 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 611530437 ONAMNKQOSVOWSX-QFIPXVFZSA-N 436.537 2.130 30 10 IEEE CN1CCN(C(=O)c2cc(I)ccc2Br)[C@H](C#N)C1 690105524 HTLCVZDVFSDJTR-SNVBAGLBSA-N 434.075 2.333 30 10 IEEE C#CC[C@H](COC)NS(=O)(=O)c1c(Br)cc(N)cc1Br 716799786 OHKBGJXQMJHXCP-SECBINFHSA-N 426.130 2.110 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 732155905 HYOOKZOVWGGXGW-LNVKXUELSA-N 431.452 2.170 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](NC(=O)NCc1ccccc1)C(C)C 734291474 QXNZQEVDUSZOLQ-IBGZPJMESA-N 428.514 2.196 30 10 IEEE O=C(O)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 752814842 VGOZGYVRIACSRI-UHFFFAOYSA-N 429.498 2.403 30 10 IEEE C=CC[C@H](NC(=O)C[C@@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757468910 JQPNKSQQWCRXOH-VFNWGFHPSA-N 438.480 2.422 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758580036 LZXLFKFYYJQFEL-ULQDDVLXSA-N 429.521 2.332 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CC=CC2)C1=O 759698412 KLQACXYCOCHDAT-SFHVURJKSA-N 430.530 2.133 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(I)cc(C(=O)OC)c1)[C@H]1CCCO1 775689156 DRJHIMRVWNIEAX-UONOGXRCSA-N 428.226 2.380 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCC1)CC2 779318583 UIDLGKFUOITYLM-GFCCVEGCSA-N 430.452 2.439 30 10 IEEE CC(C)N1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(F)c(F)c1 779350922 HPUKKAPXAVISQA-BXCQRQNESA-N 447.486 2.314 30 10 IEEE N#C[C@H](C(=O)/C=C\c1ccncn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 781450820 VGYYLNHHRVCTHD-QULHZPMSSA-N 439.497 2.012 30 10 IEEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)cc2OC)c1=O 781650547 YSHQFYMNGKQARL-UHFFFAOYSA-N 448.342 2.134 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)n(C)n1 790001711 QBIMSHIFRHIMEP-GOSISDBHSA-N 446.552 2.067 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCSC2)C1=O 794440806 KVZPDEQRGUGMDB-WMZOPIPTSA-N 445.614 2.453 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc3c(c2)OCO3)C1 797816117 GZVVOSUZJHGACI-IFIJOSMWSA-N 447.513 2.215 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 800038993 NBURHPBJCHQYNN-MSOLQXFVSA-N 444.598 2.205 30 10 IEEE CCOCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802614384 ATISMOYBSZAOMT-NQIIRXRSSA-N 438.532 2.394 30 10 IEEE Cc1nc(C(F)(F)F)c(CS(=O)(=O)CCS(=O)(=O)c2ccc(C#N)cn2)s1 809173123 DHQZUAVSROFWLV-UHFFFAOYSA-N 439.462 2.126 30 10 IEEE CCc1ccccc1[C@@H](CNC(=O)NCCn1cnc(C#N)n1)NC(=O)OC(C)(C)C 811916988 DXEGMDDCYCJMIY-QGZVFWFLSA-N 427.509 2.277 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccc(F)cc1 812934185 GWBVFQMQIIXVIH-OAQYLSRUSA-N 443.500 2.419 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)n1 815034321 KVLVEORXSHLCCI-UHFFFAOYSA-N 425.829 2.165 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2c(O)nc3ccccc32)cc1 918608743 MYCGNXNLSMZQIN-PTGBLXJZSA-N 427.486 2.193 30 10 IEEE Nn1c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)c1ccccc1 1084315412 YMYOGXGTXDRBHS-UHFFFAOYSA-N 442.417 2.229 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)n2N)cn1 1084542465 CUJLZMIAYMCFFM-UHFFFAOYSA-N 441.481 2.292 30 10 IEEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1130233480 WJYLRZSBRUUSEI-VNQPRFMTSA-N 449.573 2.234 30 10 IEEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 1133683547 XGMDSPNOHZPWOR-UHFFFAOYSA-N 437.568 2.497 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1142860546 GOSJBSQCLRMFED-KBPBESRZSA-N 444.937 2.373 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 1146845683 IJIKIBNOHQTZPU-YJBOKZPZSA-N 435.509 2.184 30 10 IEEE CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ncc(C(=O)OC)s1 1148122229 WSGGDBVSZZITOT-CQSZACIVSA-N 441.469 2.059 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCOCC1 1148193552 DDHFHUBWWVRPLF-AWEZNQCLSA-N 438.855 2.182 30 10 IEEE C=CC1(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 1150870500 IKXXNQHWMPPGBE-INIZCTEOSA-N 426.521 2.199 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cc1C 1156591238 CCKGTYWOBHWPCV-IFMALSPDSA-N 430.508 2.445 30 10 IEEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)s1 1248525636 SUCOXQDAFNELEB-WWGRRREGSA-N 430.534 2.310 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286303843 KHAXQKKCLKMXEN-ANZZGNCFSA-N 448.527 2.056 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1286356067 JVPIBDJSCBANGZ-LJQANCHMSA-N 440.592 2.289 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1286363231 LNQKGVRFERGTLN-URXFXBBRSA-N 439.560 2.073 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1286383676 MZSGEPVWLOEYBI-QGZVFWFLSA-N 434.949 2.262 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1286478684 JNQRZURSJONAIY-SSEXGKCCSA-N 429.565 2.064 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](OCCOC)C1 1286561210 ALNRMJMPZYJRKN-ONTIZHBOSA-N 427.549 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286784276 ZXRQKEZQEYGWOR-DGCLKSJQSA-N 444.845 2.452 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)CN2CCOCC2)C1 1286812859 UMOMOUMUHXIJIG-XLIONFOSSA-N 446.621 2.383 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1286832873 PNZDJRAEJFOJTA-MSOLQXFVSA-N 440.635 2.495 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC[C@@H]3CC[C@@H](C(F)(F)F)O3)C2=O)cc1 1288684681 QUYRDCJQTJKJMO-XHSDSOJGSA-N 438.406 2.379 30 10 IEEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1291271595 CWWMKPHQJOCCIY-ZEVGMECHSA-N 428.537 2.151 30 10 IEEE C=CCOC[C@H](NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)C(=O)OC 1297029392 GOOYTFSXFDYPSQ-SJCJKPOMSA-N 432.420 2.297 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C[C@@H]1CC 1297613738 YYYXYLXLVIQRAF-KRWDZBQOSA-N 436.520 2.185 30 10 IEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)cn1 1300222924 GTRJOOFRDYAUIR-UHFFFAOYSA-N 449.515 2.141 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(S(N)(=O)=O)cc1 1300286928 QACYUABIGCENJL-AWEZNQCLSA-N 444.948 2.342 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCNS(C)(=O)=O 1300287309 YETMIJQAHVHIFA-MRXNPFEDSA-N 443.529 2.124 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1300370848 FQDILXVJTQTXJW-GOSISDBHSA-N 425.537 2.355 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1300401749 YQGFFZYICKMUHL-IBGZPJMESA-N 437.592 2.266 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1300430909 BMZVXNMNNYAWJC-QHCPKHFHSA-N 425.533 2.047 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300493874 WUOPQUKPBLHLGD-VQTJNVASSA-N 427.574 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1300587691 YBIPKUNIWCEQTF-NRFANRHFSA-N 433.556 2.135 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)COCc2ccccc2)CC1 1300695812 KNWGFSILECNDSF-HXUWFJFHSA-N 431.544 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)O)C1 1301555433 BMWFDPPJAKEQAB-GOSISDBHSA-N 427.553 2.004 30 10 IEEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1301799519 GPPRYHIRMAPIBU-OAHLLOKOSA-N 432.491 2.205 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CCc1nnc2n1CCCCC2 1301805071 CKHDXERNVSQLNS-UHFFFAOYSA-N 435.536 2.267 30 10 IEEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)o1 1302991987 RSDXDUXWNOBDRX-NSHDSACASA-N 444.293 2.250 30 10 IEEE CC(C)N(C)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303276280 FAIMWMIEPFEYJR-UHFFFAOYSA-N 432.532 2.139 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccs1 1303380337 YMNOPLHHUVBDTN-UHFFFAOYSA-N 437.529 2.255 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 1306027806 NVUWBFCHYZPDIH-KRWDZBQOSA-N 447.557 2.118 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306293769 PUBCAAQPCYEWIN-IPAQQNCUSA-N 428.537 2.323 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1306534671 GYBLEDGAPGFMTM-FGZHOGPDSA-N 439.495 2.185 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1306555551 IAFAMXPEUPODAH-IAGOWNOFSA-N 444.511 2.277 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 1313096855 GGHSQXXINHFNRV-KRWDZBQOSA-N 442.520 2.467 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1314646914 GPPMSLZXHLBFPC-XMSQKQJNSA-N 443.502 2.398 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cn(-c2ccc(Br)cc2)nn1 1318528545 IZPAWWHPHDNSAJ-UHFFFAOYSA-N 446.286 2.329 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(F)c3F)c2=O)cn1 1319520001 GZXSUCYHDUFFSM-UHFFFAOYSA-N 440.475 2.266 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1358949624 IZWCVSVEBMPBHV-OPYAIIAOSA-N 425.533 2.359 30 10 IEEE C#CCN(c1nnc(C)n1CCCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1358956209 BWJPDOXJDFZAKR-MRXNPFEDSA-N 433.603 2.181 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1359014743 UYGKZWMHYNCPTM-KRWDZBQOSA-N 433.553 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1359101281 MQYUIAGSYFXISR-ALKREAHSSA-N 432.594 2.433 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359131924 IYAQKFASTOZCJH-GOSISDBHSA-N 441.532 2.402 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1359268576 VKSJCHCGDGDCPF-UHFFFAOYSA-N 426.477 2.281 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)CC2)c(F)c1 1449153004 REBUEXIXCFYAGR-UHFFFAOYSA-N 427.841 2.275 30 10 IEEE C[C@H](C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 1453738197 MXFLOGKRDQOULD-GFCCVEGCSA-N 446.309 2.286 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n[nH]2)c1C 1456528722 WMMJMFQZYLQKQP-LBPRGKRZSA-N 428.518 2.214 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)[C@@H]3CCC[C@H]3C#N)cc2)C[C@@H](C)O1 1460605054 GICUJRXVCUEXHN-PFRQMTDMSA-N 434.562 2.047 30 10 IEEE C[C@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1460865913 GSJVAYUGPHIRHY-SIKLNZKXSA-N 430.549 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)nn2)C1 1466609974 XICVNKHICZYCLV-LJQANCHMSA-N 438.488 2.155 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(N2CCOCC2)CCOCC1 1468836171 YDUQDPGOBKBOQP-UHFFFAOYSA-N 426.517 2.048 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)C1 1475179054 BHSLFBQMVOSYAT-WFASDCNBSA-N 433.490 2.138 30 10 IEEE CN(C)CCOCCn1c(CC2CC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1503403823 ZRDQAGSLEGFSDH-UHFFFAOYSA-N 437.592 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)C(C)(C)C 1507527003 OCDWQBOMJDAMCA-HNNXBMFYSA-N 432.546 2.388 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1507623963 ZTJDGKVTCANEFI-SFHVURJKSA-N 435.594 2.013 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)[C@@H](C)CC 1507712913 SSGWHUNQRHLEEO-QMHKHESXSA-N 438.532 2.477 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(C)CCOCC2)CC1 1507731727 BIDBXTIVFQORDK-UHFFFAOYSA-N 439.560 2.438 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1507744197 PDJWFJLOFNQLMH-HXUWFJFHSA-N 440.617 2.493 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507750099 IQWMQJHXFIBLQH-INIZCTEOSA-N 440.577 2.225 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCN(CC)CC2)CC1 1507893008 AEWHGHZQNXCCLF-UHFFFAOYSA-N 443.640 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508084384 AWQPKCNKJFLLHB-HSZRJFAPSA-N 436.491 2.188 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)nnc1C(C)(C)C 1508097051 GJMISZLUUIWIDA-QGZVFWFLSA-N 439.564 2.436 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1508141822 OWEYKYQTRQUSIX-AWEZNQCLSA-N 435.516 2.219 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N(C)C 1513215184 AMVWUHFSNVIKFO-LJQANCHMSA-N 430.578 2.451 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@H](C)C2)C1 1516400176 CWLRIJJKRVWWBC-WMAFBANVSA-N 441.532 2.274 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1518872378 GGZMEPLMXYUIIN-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2nnc(C)s2)CC1 1539484487 QUFOQJXXHQRMKX-UHFFFAOYSA-N 427.578 2.185 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539507447 WZAHFLYIXOQGDY-HXUWFJFHSA-N 433.541 2.495 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539615738 LCHOXIZPMOUMQV-CTNGQTDRSA-N 432.613 2.373 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539757995 GGVFRGRFFKUFEU-SFHVURJKSA-N 427.505 2.133 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539846421 RBNMZFRZBJWMTG-UHFFFAOYSA-N 430.574 2.273 30 10 IEEE C=CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1540149006 FMWNMHMHUYXHEP-UHFFFAOYSA-N 426.535 2.199 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1540875789 XZSVTBVKOSBEDT-QGZVFWFLSA-N 427.505 2.230 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C)C2)cc1 1540877938 JUQWXLGLVFXOOM-FUHWJXTLSA-N 432.546 2.018 30 10 IEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(N)=O)C1 1540910988 QVHWGLJDKGQABW-LLVKDONJSA-N 425.356 2.267 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541457053 PEWOCQZQXARIJO-AUSANRGPSA-N 428.537 2.008 30 10 IEEE Cn1cnnc1[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1543706421 RLFJCVGVNFUIKM-PYCORMQUSA-N 428.537 2.308 30 10 IEEE CCc1nnc(N2CCOC3(CCCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546555018 KHBJQXDGEJNNRG-VXPUYCOJSA-N 428.537 2.297 30 10 IEEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1546655947 CSSNIAFIYRTUHH-QGZVFWFLSA-N 443.573 2.383 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1555428479 DPCZGZLMYFKXHS-DHIUTWEWSA-N 441.532 2.133 30 10 IEEE N#Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(N)=O)C2)o1 1555989772 RUQUKHHENJDCEI-ZDUSSCGKSA-N 426.427 2.362 30 10 IEEE CN(CCOc1ccccc1)Cc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1558370989 VOBNLDVRTJRUQZ-UHFFFAOYSA-N 447.495 2.360 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc(Br)cs2)c1=O 1559448785 QBHCLZCPBHQZPR-UHFFFAOYSA-N 426.292 2.096 30 10 IEEE N#Cc1cn(CC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c(=O)nc1O 1566441049 LDKGLTUUDUQFDH-HNNXBMFYSA-N 440.504 2.123 30 10 IEEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1n[nH]cc1C#N 1570568646 CWKQIOAEBLACGK-LBPRGKRZSA-N 425.308 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1583087622 MPQLUFQRRSCCDS-IBGZPJMESA-N 436.516 2.133 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc3c(c2)C(=O)NCCO3)n1 1584419142 QNEMKGQGWDTHST-UHFFFAOYSA-N 442.526 2.175 30 10 IEEE N#Cc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[nH]c2ccccc12 1586950208 HYMYYYOSSGARHW-UHFFFAOYSA-N 428.445 2.452 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588074007 HBKNJLIMMACKER-IEBWSBKVSA-N 436.578 2.106 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1589163005 HCTVFPTUUZVUDZ-DNQXCXABSA-N 445.608 2.422 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(C)=O)C1 1589577520 BXQMPONLMDMGPD-SYAJIYQZSA-N 447.580 2.088 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1593763105 ADXQZPGFHRLMLQ-IBGZPJMESA-N 440.548 2.314 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1594533690 FFANWUZQYCURLG-OALUTQOASA-N 445.589 2.400 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)c1 1596358791 KAPJLSXTJWNLEW-XBYUIDQRSA-N 434.562 2.475 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1596806041 CALFHFZXXRNWBN-RXVVDRJESA-N 448.575 2.355 30 10 IEEE CC(C)n1nc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 1611649124 WQMMVJQKYHEZGI-UHFFFAOYSA-N 434.452 2.495 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1615690622 UXVACUGDFGESBQ-XDOYNYLZSA-N 446.515 2.324 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3N)CC2)cc1 1624067333 OISKEOZNMUTNQE-UHFFFAOYSA-N 449.330 2.050 30 10 IEEE CC(C)CCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1627321221 HBLAMLOPXCISPL-KZNAEPCWSA-N 441.594 2.445 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1 1629028075 PVNPMPQUAVVTEB-UONOGXRCSA-N 428.411 2.056 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4c(cccc4C(N)=O)C3)C2)C1 1630375853 JSARLIKVYVLWDG-VTPMOLMCSA-N 438.528 2.457 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)c2nccc3c(S(N)(=O)=O)cccc23)CC1 1630737701 XEACVHNVHRRXTD-UHFFFAOYSA-N 435.509 2.471 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 1633503213 KGVVHVWCDCFRCO-HNNXBMFYSA-N 440.271 2.435 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)c1 1636394279 XIYRGPKHFWRLSJ-GBESFXJTSA-N 445.338 2.429 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)CNC(=O)c1ccccc1I 1640200783 IXESJMZWUYPDJF-UHFFFAOYSA-N 428.346 2.408 30 10 IEEE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1643806911 HDTNPAJSQGASOW-INIZCTEOSA-N 429.456 2.187 30 10 IEEE C#CCN(C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788532 YHQGCBSNMOGGFN-GOSISDBHSA-N 435.565 2.121 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(OCC)c(Cl)c2)CC1 1660477340 LGNDQWXHESDQOR-UHFFFAOYSA-N 435.333 2.009 30 10 IEEE COC(=O)c1c(F)cccc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1670068484 GBBCKMLTZOGRIG-UHFFFAOYSA-N 431.489 2.427 30 10 IEEE CC#CC[C@@H](CO)NC(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 1679162271 SAHCDNKBLNHJQX-SFHVURJKSA-N 431.514 2.070 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](C)NC(=O)OC(C)(C)C 1682021339 DURAVKIYAVMEAP-MPGHIAIKSA-N 429.521 2.260 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2Cl)[C@H](C#N)C1 1686054721 CGNVXOILXZBMRF-DAXOMENPSA-N 435.912 2.315 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1689827813 JDOVWVOMBNAJKJ-ZWKOTPCHSA-N 441.532 2.134 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COc2ccccc2)C1 1689901311 IQKOZXFFDOLTFU-OAQYLSRUSA-N 437.544 2.488 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689983725 GATFHQQWBGAFRN-CEQIKUNHSA-N 434.562 2.270 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690126031 SDQXJFIOKRREEP-PZJWPPBQSA-N 443.979 2.329 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690330391 FTXVLJLZEGCIDE-HUUCEWRRSA-N 439.948 2.329 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1690533560 NKEMFIPUHHLQFL-UHFFFAOYSA-N 426.565 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690666917 KVIDDONXIQNWRT-INIZCTEOSA-N 430.940 2.205 30 10 IEEE CCN1CCN(CCCn2c(C)nnc2N2CCCN(c3ccccc3C#N)CC2)CC1 1695896277 DYNPOMXFWUIVJR-UHFFFAOYSA-N 436.608 2.203 30 10 IEEE CCOCCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1696399792 XNZGNSKYFLDLLF-GOSISDBHSA-N 449.563 2.477 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(OC)nc1 1698059652 DYGZICSJPVKJQV-UHFFFAOYSA-N 436.472 2.492 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCNS(C)(=O)=O 1705477356 MZLMBNNUQXXVRB-WMZOPIPTSA-N 433.578 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1705590212 FMTHZYODCFOZFA-HYBUGGRVSA-N 436.560 2.241 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CC2)CC1 1705632897 DWWGTURHALKDCT-SFHVURJKSA-N 425.533 2.097 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1705633997 FJJASLWOBURZSU-LJQANCHMSA-N 447.486 2.142 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705662862 NYUABKTVKYXHFS-MGPUTAFESA-N 433.603 2.384 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705810931 LWXQAAJBHWQRGS-GOSISDBHSA-N 425.537 2.193 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1705848620 YOBAAYCRYGSTKC-KURKYZTESA-N 434.585 2.392 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1705862493 MJYBIHARFFRRRG-AVRDEDQJSA-N 429.496 2.366 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(F)c(F)c1 1705909232 QRJQUTASNMXWPJ-KXBFYZLASA-N 435.475 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1705929909 AJLPEMNWVLCXJN-MJGOQNOKSA-N 445.589 2.088 30 10 IEEE CCc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709090665 ZNZMNMJGXDLAKY-GHVJWSGMSA-N 449.559 2.472 30 10 IEEE CCOCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710804461 QMNXQBNTALRTMN-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)c1 1711329613 YPGFWQPAWRNSSL-ZHRRBRCNSA-N 444.511 2.046 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2OCCC2(C)C)cc1 1711885506 UQDBBXXSVZNODV-MOPGFXCFSA-N 427.505 2.410 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722314132 HRCSYMXSXVBZFM-SFHVURJKSA-N 430.578 2.218 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N[C@@H](C)c1ccccc1 1722342536 QWIQSRQRXXLCPS-IRXDYDNUSA-N 432.594 2.087 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722369630 CPWWGEYYTOFAAJ-UYAOXDASSA-N 444.557 2.008 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1722502450 UWNOOJQWCCIJGV-IRXDYDNUSA-N 426.631 2.411 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722564481 QTYLERNYEMSKOK-NFBKMPQASA-N 433.597 2.443 30 10 IEEE CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723257885 XJHLXNOQIRJDAD-GOSISDBHSA-N 447.547 2.246 30 10 IEEE CN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1729529656 UMDNYZDRLWRMCS-IBGZPJMESA-N 425.493 2.456 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1Cc1ccc(C#N)o1 1730294845 PMQCZDLRXAXABY-MRXNPFEDSA-N 434.500 2.482 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740616119 SUVYDGKPARWJER-HKUYNNGSSA-N 447.605 2.180 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1740623743 ADNWWIIJMLAGMM-IBGZPJMESA-N 443.573 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2oc(CC)nc2C)CC1 1740706874 GNAVVBSKPVFYBV-UHFFFAOYSA-N 447.543 2.137 30 10 IEEE C=CCSCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1741005344 WLNYWKIOTSCWKX-FQEVSTJZSA-N 439.582 2.128 30 10 IEEE CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1746819883 AWZFOUDVQGGZCY-INIZCTEOSA-N 446.577 2.465 30 10 IEEE CN(C)C(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1747544055 LNYOXZMKNKFJRI-DMPWYTOCSA-N 445.568 2.267 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCCO)c(OC)c1 1748684502 KQEJCTRKKWZVDZ-QGZVFWFLSA-N 438.532 2.026 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748739633 HZAVIEIXIYVRJB-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccc(OC)c1)N(C)C 1748784503 BPULDBXRXATVGT-IBGZPJMESA-N 436.516 2.387 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCN(CC)CC1 1748882544 WONOQMHIPIZMON-HXUWFJFHSA-N 449.559 2.342 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)cc2OCCOC)CC1 1748986931 MSKQUBZOQFZVCK-UHFFFAOYSA-N 434.544 2.410 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749114904 JNAXMYOAQIJUSB-NSHGMRRFSA-N 440.548 2.450 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1749485768 ZVYJELYSDWKPTK-PMERELPUSA-N 426.546 2.115 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC1CC1 1750060901 LCGRHQYRHNZVHY-LBPRGKRZSA-N 434.342 2.168 30 10 IEEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1750483878 GLDPIWJKFSJTJO-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1750523822 DFQBZQSQUWPZOO-NUUORRKPSA-N 437.610 2.473 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)c(F)c2)CCOC1 1751027821 ZIPUBSYYCRMUBJ-HRAATJIYSA-N 433.459 2.374 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1760131572 VOHQVQWSGHTCSU-XMSQKQJNSA-N 445.589 2.444 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC 1760161213 YKTKPHLAYYNYAL-UHFFFAOYSA-N 430.940 2.093 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760185202 RWANBYBDRJVTDV-PGRDOPGGSA-N 440.525 2.073 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CCC1 1760220066 VYGKFJXPMJPOJW-LJQANCHMSA-N 447.605 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COC)C1 1760312534 AAVHHGUMQJOSRH-AOIWGVFYSA-N 426.521 2.379 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760435471 KYKNUSRKSVIBEC-OAQYLSRUSA-N 441.624 2.481 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2[C@H]1CC 1760522619 XQBGWGCFGBVUNX-GOEBONIOSA-N 449.602 2.058 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760525320 AZUCIBUZNGJSPE-UHFFFAOYSA-N 446.577 2.290 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761025914 HVTHUZKYFUHWNX-UGNPLGLKSA-N 441.580 2.068 30 10 IEEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1 1761390801 DSMOATPPHFKERK-AEFFLSMTSA-N 433.472 2.122 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC1CC1 1761501110 FGXWGUKOZVXEAQ-DNVCBOLYSA-N 444.561 2.138 30 10 IEEE C[C@H]1CCc2sc(-c3nnc(N4CCO[C@H](C#N)C4)n3CCOCCCO)cc2C1 1762812951 MFTQNCRGGAYVKC-DOTOQJQBSA-N 431.562 2.259 30 10 IEEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1763005603 CDSYEVYCTQIOIO-GOSISDBHSA-N 429.546 2.400 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1nnc(C)s1 1767573916 CKDVGAHVVXLQNH-CQSZACIVSA-N 438.561 2.428 30 10 IEEE CNC(=O)c1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)c1 1767635553 BFHPAVBXBPYCFW-MRXNPFEDSA-N 446.515 2.124 30 10 IEEE CN(CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1768892351 IFNOVIDGTFPJIL-SFHVURJKSA-N 441.536 2.250 30 10 IEEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1849647790 NWCRLHLQACBZAX-UHFFFAOYSA-N 441.557 2.336 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851158880 JBTNFMBPULRVHD-LBPRGKRZSA-N 447.435 2.309 30 10 IEEE C[C@H]1CC(=NC(=O)COCc2nc(-c3cccnc3)no2)NN1c1ccc(Cl)cn1 1851841697 PMBSLIAOVWXULM-LBPRGKRZSA-N 427.852 2.425 30 10 IEEE CON(C)C(=O)[C@@H]1CC=CCN1C(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 1853361726 ZUKGNPMFWJFBSA-NRFANRHFSA-N 433.512 2.500 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 1862685533 YNMDXGXCSIOFFX-SFHVURJKSA-N 444.371 2.076 30 10 IEEE C=CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871659038 GKOXOXDUPBQAIA-UHFFFAOYSA-N 445.571 2.340 30 10 IEEE CCc1nc([C@@H](C#N)C(=O)CN2CCN(c3ccc(OC)cc3)CC2)sc1C(=O)OC 1872796377 XEXKUXYGRYWLQM-KRWDZBQOSA-N 442.541 2.499 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N(CCO)CCO)ncnc21 1873645922 FASIMDMDNKIBLQ-UHFFFAOYSA-N 445.907 2.323 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc(O)c1 1874277308 PDVSLTYWNWQMPA-MNUWJXFPSA-N 431.518 2.245 30 10 IEEE Cc1cccc(O[C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1C 1889421730 SJYPXMCHCSCANN-QFIPXVFZSA-N 427.589 2.329 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)C1 1891675072 OKGNLRHZEAGUHZ-MRXNPFEDSA-N 441.447 2.167 30 10 IEEE CC#CC[C@H](COc1ncnc(I)c1N)NC(=O)OC(C)(C)C 1986530616 UNZDZJBBDFJONP-SNVBAGLBSA-N 432.262 2.349 30 10 IEEE C=CC1(NC(=O)[C@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2019461551 JHYDNVYFVBQOPO-MSOLQXFVSA-N 429.517 2.396 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141677586 HRZIMSUPZPGVJW-GOEBONIOSA-N 447.341 2.249 30 10 IEEE N#CC1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)CC1 2174788152 BITRLXNFXJTDBI-IBGZPJMESA-N 432.546 2.248 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773510 KQZRTNQBBVPRDB-QWHCGFSZSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2248415746 GFIAOAUUDQSSDK-UHFFFAOYSA-N 437.371 2.363 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254747564 DPNOOFAAEKZWAC-IRXDYDNUSA-N 433.358 2.309 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CO[C@H]1C2 2254829803 NWWUCAYMGAUCFF-VKDGWMQASA-N 440.544 2.295 30 10 IEEE Cc1nn(C)c(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255633198 XMJQLLRIDFIHPI-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H]2C[C@@H]21 2255845462 BWNARIPASDLIFB-VYDXJSESSA-N 431.342 2.442 30 10 IEEE C[C@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)C(F)(F)F 2256034242 HTOBTKFYNSZERT-LRDDRELGSA-N 427.276 2.461 30 10 IEEE C[C@@H](Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2256034961 LHIYYRJETFCLII-CQSZACIVSA-N 433.358 2.350 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256621826 ZJMYEQCTFSBXFW-PBHICJAKSA-N 432.326 2.295 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCc3ccc(NC(=O)C(F)(F)F)cc3)[nH]n2)OC1(C)C 2267135797 GMOZEYDTOXVDMU-UHFFFAOYSA-N 438.215 2.140 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267145908 JSDVZAAHIYLHNT-APWZRJJASA-N 438.381 2.421 30 10 IEEE C[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2267523843 HQKITYCCJVLKQX-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)n1 2267530182 WJDQENAOXMDJTB-MOPGFXCFSA-N 436.365 2.301 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CC2 2267547880 OIGSHBVUEQMNMB-OAHLLOKOSA-N 444.341 2.048 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267595866 XVEXESAYLOJKQE-UHFFFAOYSA-N 448.369 2.335 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2267601114 QBEUCOVICSGMJU-KRWDZBQOSA-N 445.369 2.454 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268643601 JABFULQCAUMQQW-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE C=CC[C@@]1(CO)CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2287700404 UMGJFYDORVWIIC-SFTDATJTSA-N 438.521 2.134 30 10 IEEE C#CCN1C(=O)SC(=Cc2ccc(OCC(=O)O)c(I)c2)C1=O 2293983567 JFMLQBDUDINAQX-UHFFFAOYSA-N 443.218 2.424 30 10 IEEE Cc1nc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2312859993 WIMGQWHXOPHSBI-MGPQQGTHSA-N 449.382 2.488 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2315682586 AGNDZZOLNSSPSC-CYBMUJFWSA-N 448.354 2.027 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)n1 2319268422 VHWQXAOVHUOWSW-HNNXBMFYSA-N 427.310 2.318 30 10 IEEE COc1cc2c(C=Nn3c(S)nnc(C(C)(C)C)c3=O)c(C(=O)O)n(C)c2cc1OC 2321660841 JEHHMNGHBWPAJY-UHFFFAOYSA-N 445.501 2.314 30 10 IEEE COc1cccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1OC 2327904363 DMDARLBAGBVTET-HNNXBMFYSA-N 447.561 2.376 30 10 IEEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2352396237 MAKOYPNYCWOVTP-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCCCN3CCCC3)C2=O)cc1 96567179 RGRYZHKKGFHPHE-XMMPIXPASA-N 442.560 2.401 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 437405545 BWUYZQCXUCOURB-JLZZUVOBSA-N 435.452 2.499 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 437562481 XGJKOCPHZNTQSH-GHTZIAJQSA-N 440.569 2.277 30 10 IEEE CC(C)N(CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 470479660 INKUUFRKZIGNDH-UHFFFAOYSA-N 435.594 2.083 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCCOCC 478754553 HHQLQKABCYCAHO-UHFFFAOYSA-N 445.560 2.067 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C(=O)C4CCCCC4)CC3)C2=O)cc1 488258305 AJFAHLPYQUHLOF-NRFANRHFSA-N 437.544 2.093 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](CO)Cc3ccc(F)c(F)c3)C2=O)cc1 488268329 XVCKESSYIDQROO-RXVVDRJESA-N 442.466 2.088 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 508873894 OXIPUPPTLANLCP-LJQANCHMSA-N 442.545 2.329 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 513370532 HHTRTSNSYFRLHZ-YJBOKZPZSA-N 431.489 2.434 30 10 IEEE CCN1CCN(C2=C(Sc3nc(C)cc(C)n3)C(=O)N(c3ccc(C#N)cc3)C2=O)CC1 526701035 OKLCBUQINGOCDE-UHFFFAOYSA-N 448.552 2.480 30 10 IEEE Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CO2 531663916 XVMVFGBSSRPFTK-SFHVURJKSA-N 426.498 2.016 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CN(Cc4ccccc4)CC[C@H]3CO)cc2C1=O 534185441 OLSWCBPVZDVLEJ-UGKGYDQZSA-N 433.508 2.081 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)n1 541126352 LWVUWNPMMBCPQU-UHFFFAOYSA-N 427.829 2.082 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 542932937 YGFAKEXUQUZTCK-CYBMUJFWSA-N 447.538 2.177 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1=O 543084774 KMQWSYVFSRAHHY-IBGZPJMESA-N 433.468 2.385 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)CCCC1 545385630 GAUKLVQLCMKIEU-UHFFFAOYSA-N 427.473 2.460 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccccc1 552863882 KKASPEGHMWZMIR-UHFFFAOYSA-N 439.487 2.264 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)[C@@H]1c1cncn1C 557472636 NFRKIXRNZQXQKW-NJNPRVFISA-N 436.516 2.056 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2C#N)c1=O 567225770 CEQJVFDDOIKFFG-UHFFFAOYSA-N 443.532 2.420 30 10 IEEE COc1cc(CNC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)ccc1C#N 581698126 PYVUZDDQLVZIGV-UHFFFAOYSA-N 438.303 2.215 30 10 IEEE C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](c2ccccc2)O1 587665314 NFXKKNAZAIAWCY-UTKZUKDTSA-N 433.512 2.027 30 10 IEEE CN1C(=O)N(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C(=O)C12CCCCC2 603824240 FRPBDKMCGVOLEY-UHFFFAOYSA-N 426.473 2.301 30 10 IEEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670221440 AVZOYIXMZBOHNY-LJQANCHMSA-N 433.516 2.330 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 679754935 GMKJEKRKTVLVQD-MRXNPFEDSA-N 439.562 2.284 30 10 IEEE Cc1nccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)n1 730141287 IYUDMIRFAOHHHH-SFHVURJKSA-N 444.536 2.124 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3cccc(C)c3)c2=O)cn1 735068905 IRJSTPWPOMENIG-UHFFFAOYSA-N 449.580 2.089 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1 739522636 GJJRUNIDNMVPRD-MMLYNDMRSA-N 447.557 2.460 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCN(c2ccccc2C#N)CC1 740745869 PCHHLHBLHPRALS-HNNXBMFYSA-N 430.505 2.149 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)cc1 744627199 UQVXZPXVVOWMEB-UYAOXDASSA-N 432.542 2.182 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 750266531 TZYHCUOKTOSAGC-GSXJYVHKSA-N 432.546 2.087 30 10 IEEE O=C(NCC#CC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)O)OCC1c2ccccc2-c2ccccc21 757470945 MLUZNYIFUCTKEW-LDLFBNOTSA-N 430.460 2.460 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H]1CC[C@H](C(=O)O)O1 757488318 ZHJIMCWUPCFFIN-KSFYIVLOSA-N 448.475 2.277 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)OC)c(F)cc1Br)[C@@H]1CCS(=O)(=O)C1 774045819 ZINYYHJDVKNRPB-SNVBAGLBSA-N 447.282 2.029 30 10 IEEE COc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cnc2c1cnn2C 783911451 DBDPXSLAPGQGCK-ULJHMMPZSA-N 442.501 2.042 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1C#N 789891324 VOWRQMFJQLVSDT-UHFFFAOYSA-N 442.466 2.242 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccsc1 790427637 IODJSTPRUNKTDS-UHFFFAOYSA-N 432.530 2.480 30 10 IEEE CSC[C@H](C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 799627701 IEYCGFONPLEVDH-KBXCAEBGSA-N 446.529 2.158 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1C#N 803241992 HTCKNXOCQIGRHN-OAHLLOKOSA-N 428.439 2.104 30 10 IEEE Cc1ccccc1[C@H](O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 804510907 HSLYTOIAXHYQNG-JOCHJYFZSA-N 441.553 2.396 30 10 IEEE C#C[C@H](n1c(-c2cnnn2C)csc1=NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C 804892236 BJJCCICYGUQBRY-SFHVURJKSA-N 444.586 2.314 30 10 IEEE COc1ccc(C2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1144867664 AZGSMVCTWGPHIK-OAHLLOKOSA-N 442.541 2.314 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC2)nc1 1148308448 WNLQKHGYQOSNRI-UHFFFAOYSA-N 449.330 2.383 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)cc1Br 1149238886 OJVJAFYJIHXKSK-INIZCTEOSA-N 429.230 2.219 30 10 IEEE CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1149837811 VPAZKPHGTHOHAV-UHFFFAOYSA-N 428.438 2.059 30 10 IEEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2cccc(C#N)c2Br)cn1 1154896895 YPVRYNAHBXXSDL-OAHLLOKOSA-N 437.319 2.056 30 10 IEEE COc1ccc(CNC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)cc1C#N 1175968477 CBLARUDOCGBAJZ-UHFFFAOYSA-N 428.493 2.393 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)Cc2ccc(F)cc2)cc1Br 1211719233 CXOUZBMNZAJAMK-ZDUSSCGKSA-N 431.258 2.481 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286340369 ZCLRBXWEAHTXLG-UHFFFAOYSA-N 437.544 2.442 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1286369297 KTTFZHUVORBDGH-UHFFFAOYSA-N 430.516 2.225 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1286389447 KEYCEBVKNXBPRO-HXUWFJFHSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1286401469 QXXBWJVPZWWLTK-BJKOFHAPSA-N 440.519 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCOC[C@H]1C 1286463379 FISVATXZCPTMFN-LJQANCHMSA-N 434.544 2.300 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccsc2)CC1 1286664313 WBIQAJKPNYAIFX-QGZVFWFLSA-N 437.591 2.123 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O)c1ccccc1 1286678798 DXESWLFEOMCCHN-QXAKKESOSA-N 445.589 2.240 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F)C1CC1 1286736920 JJIYTOVTHGXSJE-IBGZPJMESA-N 449.552 2.148 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OC)C1 1286800133 GMMDDPCGYVYBIQ-SJLPKXTDSA-N 449.577 2.035 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1286972818 WRLLHQUCKLLQPO-BHYGNILZSA-N 428.541 2.426 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1288526275 ULAZTHMZBFZHPU-BPQIPLTHSA-N 428.562 2.434 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCC1CCOCC1 1288815782 AFKNYSHRICLCAM-INIZCTEOSA-N 438.598 2.225 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCC[C@@H](S(C)(=O)=O)C3)C2)C1 1297175390 GUSHMWRKHDLEIE-CXIVCQEWSA-N 439.578 2.199 30 10 IEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1298740918 XSJNBUZLIWGITO-UHFFFAOYSA-N 440.479 2.278 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1300495409 HBTIFBVFARVPEV-MSOLQXFVSA-N 448.614 2.411 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300495901 KQWJVRAJPPVSPC-PMACEKPBSA-N 428.558 2.074 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)n1 1300681685 YTUZOSPPYMNXCF-UHFFFAOYSA-N 444.499 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(N(C)C)c2)CC1 1300719923 VRBSDPDKIYKORD-UHFFFAOYSA-N 443.555 2.420 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1300741420 WIKGPGPZJOHMQH-RYLXDESZSA-N 438.594 2.141 30 10 IEEE C#CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1300777821 DJNIDEHYMYHDKJ-JSGCOSHPSA-N 442.517 2.067 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)cc2)CC1 1301085382 IPKIUZMBDVPMPN-SFHVURJKSA-N 429.546 2.343 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301489782 BPMNNBANUMXXGJ-CALCHBBNSA-N 446.983 2.446 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301492300 DGAXFMHMVLIOCK-MRXNPFEDSA-N 440.939 2.413 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCC)C1 1301554063 BRVKUHOSSINFMY-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C)n(C)c1=O 1302022514 DUQCOPBTAMQSHU-QGZVFWFLSA-N 428.537 2.188 30 10 IEEE C[S@@](=O)C1(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)CC1 1302510029 ATSTVCMAHZFRSF-SSEXGKCCSA-N 427.578 2.080 30 10 IEEE CCOC(=O)C1=CC[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1313012151 XUHOEXSNGHSQHJ-OAHLLOKOSA-N 425.445 2.290 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(F)cccc2Br)n1 1326720516 KZGBNGVHMPQFPJ-UHFFFAOYSA-N 430.299 2.255 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1358919287 YLGJDUIUHZQEAG-UHFFFAOYSA-N 433.560 2.414 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(CCN(C)C)CC1 1358950152 YNTBHDMIGKPVIK-QFIPXVFZSA-N 438.576 2.134 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCN(C)C1 1358987075 QXNAGQFMPQUDMN-RUZDIDTESA-N 428.540 2.331 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C#N)o2)CC1 1359032717 ACYNFDFFKCLMFS-UHFFFAOYSA-N 432.484 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1359045178 ZABUJIXTCPRDPM-CTNGQTDRSA-N 442.608 2.012 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1 1360622030 CPGDKQQXTSQVOJ-INIZCTEOSA-N 427.530 2.446 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CSC[C@H]3C(=O)N3CCSCC3)n[nH]2)c1C 1442475848 SOVHQIGLMBFVLH-KRWDZBQOSA-N 446.602 2.167 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)c3ccccc3C2)CC1 1448112639 OQISAPVCWYPZLQ-UHFFFAOYSA-N 432.542 2.453 30 10 IEEE C[C@@H](C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 1453738225 MXFLOGKRDQOULD-LBPRGKRZSA-N 446.309 2.286 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)n[nH]2)c1C 1465425278 XXDDATNVUBSJOY-XMMPIXPASA-N 434.544 2.443 30 10 IEEE C=C(C)CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)CC1 1467297494 UNARJULNAPLFFD-UHFFFAOYSA-N 428.580 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1469821067 IZAFBBYPRLMWIQ-UHOSZYNNSA-N 440.500 2.349 30 10 IEEE COCc1ncc2c(n1)CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2 1471092274 VWPRFFXZTKMGRP-FXVOITISSA-N 441.532 2.295 30 10 IEEE O=C(Cc1ccccc1Cl)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1473268088 GCNXIKYAUOKDLB-UHFFFAOYSA-N 435.911 2.326 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3(n4cc(Br)cn4)CC3)C2)nc1 1479237169 AASAZGOXGVANIM-OAHLLOKOSA-N 431.294 2.264 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(C(N)=O)c1 1496847907 FFEWABOZUHDOSU-UHFFFAOYSA-N 437.548 2.474 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@](F)(C#N)C1 1503371568 IBLORMQFUIYFQZ-HNNXBMFYSA-N 427.303 2.299 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)n1 1504774086 AJSWPKGXSLEFJX-JOCHJYFZSA-N 437.504 2.186 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ncnn1-c1ccccc1 1505058616 JSZYHEUFYBKSMQ-ZWOKBUDYSA-N 436.520 2.227 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 1507563835 JESNUUAAPKRAJU-SFHVURJKSA-N 437.610 2.431 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507609022 VYZXPJAJGOJBJM-IEBWSBKVSA-N 443.573 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1OC 1507648470 OEBZTNLAUQYBDJ-PXNSSMCTSA-N 430.512 2.080 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCN2CC)CC1 1507722780 ILTYNCAOTHWHNN-LJQANCHMSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCOC2)CC1 1507732213 JYUXVFOSXWKWEP-LJQANCHMSA-N 425.533 2.048 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507868964 KFEGTCHFEVNKRT-INIZCTEOSA-N 434.953 2.450 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cc2ccccc2o1 1510189107 FTSGWRUDHNENKI-XOBRGWDASA-N 446.508 2.319 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C)S1 1512495615 BOXNSROKQAGLGD-IYBDPMFKSA-N 449.602 2.494 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1515508904 GGAIUBVBOSHIRM-LPHOPBHVSA-N 430.578 2.170 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCS(C)(=O)=O 1516555756 MGGUYVKRSGNTOQ-IBGZPJMESA-N 431.562 2.190 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1519111573 ZLLPNDQLRLCVCY-FQEVSTJZSA-N 434.548 2.122 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(C)CC1(Br)Br 1519190125 CWKSZFPZIKYPLH-IINYFYTJSA-N 443.143 2.281 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1525698933 YTFJDOKKHUAVGY-MBSDFSHPSA-N 425.485 2.341 30 10 IEEE Cc1ccc(I)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1532113892 NMMQTPCSIBZZIL-UHFFFAOYSA-N 437.241 2.283 30 10 IEEE COC(=O)c1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n(C)n1 1538726476 JIWWESQJLUVTMB-BQBZGAKWSA-N 435.271 2.450 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539324090 PMYLRSBKYOJZFM-UXHICEINSA-N 448.575 2.136 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@H]1C(C)C 1539409296 VTBBSQUKTXJIRK-UZLBHIALSA-N 429.521 2.153 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCC2)CC1 1539429616 BOVOHZUSYYHTPL-IBGZPJMESA-N 426.540 2.408 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](COC)OC)CC1 1539438361 VYXYPQQSEZLZMM-GOSISDBHSA-N 448.365 2.124 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(COC)CCOCC2)CC1 1539480954 HMCHLEUBQXGFON-UHFFFAOYSA-N 445.608 2.276 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540870924 ZZJOUIIEXSTQQM-LJQANCHMSA-N 444.580 2.193 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1540872409 OYEIGPOJCLMMPU-QZTJIDSGSA-N 426.565 2.099 30 10 IEEE CC(C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cn(-c2ccccc2)nn1 1545471364 CGTBCENSNHCAAK-UHFFFAOYSA-N 427.461 2.369 30 10 IEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)N(C)C)nn1C 1548375432 LSGWSXPWGJRTFM-SFHVURJKSA-N 448.449 2.038 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)C[C@H]1O 1554545426 MWWXYHCHTHGGNM-HMFYCAOWSA-N 441.557 2.463 30 10 IEEE COC[C@H](F)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555276622 QNUBBKZVXZQJKP-ZBFHGGJFSA-N 434.466 2.308 30 10 IEEE C#C[C@H]1COCCN1C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 1583612047 MGEOLPLQFJLHTM-KRWDZBQOSA-N 438.509 2.451 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1587860843 CCXJYYWKUXMFJC-TZIWHRDSSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588046098 XDAPNNZCKKDAMU-INIZCTEOSA-N 442.570 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1588078879 ORABBIUVAVCYGI-UHFFFAOYSA-N 444.543 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1cccc(OC)c1 1588229306 SYPOXFNYGZKVTC-OAQYLSRUSA-N 435.528 2.421 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1588266480 QSBDHSKTYWCTSP-KURKYZTESA-N 438.642 2.104 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1CC1CCN(C(C)=O)CC1 1588694610 AREWSSDKXAZPDO-UHFFFAOYSA-N 443.523 2.341 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N(C)C2CCCCC2)CC1 1588856739 BAQIAFXXZYRDLG-UHFFFAOYSA-N 440.617 2.477 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 1589069409 KRLXNKRSLMOEJD-QZTJIDSGSA-N 441.605 2.432 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1593757896 QJVNACHHVUMGRG-QFIPXVFZSA-N 440.592 2.405 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCCO3)CC1 1594013006 AQLJPAKJFZJAAE-INIZCTEOSA-N 447.561 2.254 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2C)CC1 1594097575 VJLOKJYYPXKLNX-FQEVSTJZSA-N 445.589 2.433 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594484420 RLZFZTUZHWGZCP-UHFFFAOYSA-N 427.553 2.049 30 10 IEEE COc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1S(C)(=O)=O 1595912947 CXOMEEXFUFFIFW-UHFFFAOYSA-N 429.498 2.184 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H](C)C#N 1596832021 RYVFDXQGAIPIIG-CQSZACIVSA-N 440.520 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@]2(C#N)CC3CCC2CC3)C1 1597575797 BWXKZGFSAPDKDS-NYFOENAASA-N 439.578 2.247 30 10 IEEE CCCCOC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1611291303 YWAVBXGRGKJLGQ-UHFFFAOYSA-N 435.546 2.197 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 1616450158 UBKOENGMIRCRHF-YYDVJCTNSA-N 432.565 2.381 30 10 IEEE CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(C#N)cc2I)C1=O 1616826835 JSVPTQPVKXRAGX-UHFFFAOYSA-N 440.241 2.212 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1 1618653554 FXNNOYQGFKXJNZ-RTBURBONSA-N 438.532 2.118 30 10 IEEE COC1CCN(C(C)(C)Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1619506289 MYDLWEDLOPACAY-UHFFFAOYSA-N 438.580 2.069 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)CC1=O 1619937196 CFKYVORGQFFRJU-IBGZPJMESA-N 440.548 2.173 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1620067528 LANJHVVTLRYXHF-UHFFFAOYSA-N 436.520 2.180 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)n[nH]2)c1C 1624437595 JXDFHXJXYLNKEN-HNNXBMFYSA-N 432.525 2.034 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CCCN1CCCO 1624758164 CCSDCWSKIRGPPB-TZIWHRDSSA-N 442.560 2.356 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 1628662454 MNKSGBHFLGJPND-GHTZIAJQSA-N 433.464 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268680 QTMSJPKKQKAWRW-LJQANCHMSA-N 441.532 2.018 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)=NO2)C1 1631403653 DWLRZZZFHZLDSY-UHFFFAOYSA-N 436.472 2.330 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1631697318 DPSHNWOEMXBVQJ-UHFFFAOYSA-N 449.573 2.365 30 10 IEEE C=CC[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OCC 1632655745 BFJOMMIZMHNYTI-LJQANCHMSA-N 433.530 2.038 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](CO)Cc3ccc(O)cc3)C2)C1 1633140315 HPGCLGLSKAMGHN-VQFNIZELSA-N 429.517 2.199 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(C#N)c3Br)C2=O)cc1 1634860231 ITYNZLLNGYSAPB-LJQANCHMSA-N 443.257 2.441 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc[nH]n1 1635078893 LKZGYFCSFOJYNB-AWEZNQCLSA-N 443.287 2.240 30 10 IEEE C#C[C@H](NC(=O)COc1nsnc1N1CCOCC1)c1ccc(Br)cc1 1636542492 XPZWOGVURSTUGR-AWEZNQCLSA-N 437.319 2.007 30 10 IEEE CC(C)C[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1636714727 YBQVNMQDLJVMPP-HLLBOEOZSA-N 426.542 2.453 30 10 IEEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1637552727 LKPDALFHPPNDEB-POTGORPSSA-N 442.516 2.069 30 10 IEEE C=C(C)[C@H](CC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1)OCC 1642000318 GEXXICJZEAWPPH-SFHVURJKSA-N 428.576 2.365 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C[C@H]2C1 1642363756 ZYOXELMHLCHHGJ-JOVJSEBESA-N 432.521 2.055 30 10 IEEE C#CCN(C(=O)c1cn(CC2(CC)COC2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789188 BNIJSPJEHRVJOK-UHFFFAOYSA-N 431.537 2.180 30 10 IEEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OC 1644819277 GAZKVVWGBLYPHQ-QGZVFWFLSA-N 426.510 2.241 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccsc2C#N)CC1 1645391619 UETDQDICOUHDRD-CQSZACIVSA-N 436.534 2.115 30 10 IEEE C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCN(c2ccsc2C#N)CC1 1647745364 BEINEYJOLFKSDM-DLBZAZTESA-N 426.542 2.429 30 10 IEEE C[C@@H](NC(=O)CCC(=O)NCc1cncc(C#N)c1)C(=O)c1ccc(Br)cc1 1652274339 PEGCEUSCDWBBEO-CYBMUJFWSA-N 443.301 2.500 30 10 IEEE CN(C)S(=O)(=O)c1cccc(NC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)c1 1659475865 OSLIEYPQGSIVJP-UHFFFAOYSA-N 442.541 2.043 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCCO1 1680314777 WZMBMIULFQNLNP-HFTRVMKXSA-N 425.323 2.089 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCC(n3nncc3I)CC2)s1 1683288382 NMATVVZUKYZDTP-UHFFFAOYSA-N 442.286 2.363 30 10 IEEE C#C[C@H]1CCCN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1684482642 STLBCHWDMOZMLM-KRWDZBQOSA-N 449.573 2.159 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNc1ccccn1 1689840212 VFEIAYGCEIBXLL-QGZVFWFLSA-N 428.504 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1689848698 AAMNDGPPCRZTLI-MSOLQXFVSA-N 430.622 2.439 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 1690536360 UOGKFWQXDKDPJO-QGZVFWFLSA-N 440.523 2.152 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690670985 MWZSSMVLAQAYAA-INIZCTEOSA-N 429.525 2.071 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690676419 ZISONWRENAMXKY-PMACEKPBSA-N 438.576 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)CC1 1690728912 AOEXQISPNPJHPB-UHFFFAOYSA-N 437.591 2.107 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1695606194 GZVRAQAJTYEKHH-SFHVURJKSA-N 448.579 2.002 30 10 IEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ncn(C)n2)c1 1697315586 CAGHZZQHLSMUDD-GFCCVEGCSA-N 445.325 2.489 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1697335228 ZAFHBFOLLBMACI-DSGGYQJVSA-N 435.488 2.218 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571500 ZULCQZQQDFSRFB-YVWKXTFCSA-N 446.548 2.060 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCN(C)C1 1705573601 KBJCUJDLSODWPE-VGSWGCGISA-N 427.936 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C)C1=O 1705588852 GFRMBXNISQMVHS-XMMPIXPASA-N 432.528 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](c1cccs1)N1CCOCC1 1705595304 NNJDKBGOSZQFNQ-FQEVSTJZSA-N 447.568 2.333 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ncn(-c2ccccc2)n1 1705626788 JFGXBNVSRJLEMY-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705641193 WGKWGFFIWPBYBO-GHTZIAJQSA-N 426.590 2.370 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705663842 DVOJHJRQAYPOSM-IEBWSBKVSA-N 425.558 2.247 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCn2cccn2)nnc1[C@@]1(OCC)CCOC1 1705708639 FJOMQJFTWLODTK-XQBPLPMBSA-N 430.553 2.244 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1705883993 BSANNBLBUIVTQN-IBGZPJMESA-N 442.564 2.091 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS(=O)(=O)CC2)cc1 1705911221 BXXFQGPJSPXJGR-UHFFFAOYSA-N 439.541 2.496 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1709850760 ZFFNWUGDWKLEBZ-YZGWKJHDSA-N 438.532 2.116 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C1 1712595385 CDTGABLGMSOOOE-NRFANRHFSA-N 448.527 2.114 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722376854 FNUONCXXBVTXNA-LJQANCHMSA-N 447.461 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CCO[C@H]1C1CC1 1722427207 LCAKVTHGCJITGZ-GMAHTHKFSA-N 426.565 2.431 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1722449334 UOAAXNBRNHUZNX-LJQANCHMSA-N 435.532 2.020 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCS(=O)(=O)C1 1722466132 JNBYGGXJBWKSPG-HRAATJIYSA-N 435.594 2.013 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722483735 DINKTCJHQMHEES-HZPDHXFCSA-N 427.306 2.440 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722592423 YEYRYCLUTDVLOD-QZTJIDSGSA-N 443.596 2.414 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[S@](=O)CC 1722656843 KCUODFBJTCHOCM-VPTFNQTCSA-N 426.546 2.062 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CC1 1722657753 NOJHPFMUWASPNL-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)ccc2OC)C1 1722709423 QEPCZYMTFQUZGY-IBGZPJMESA-N 441.532 2.361 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1722861781 CXECCRQGYIRNFI-DOMZBBRYSA-N 447.446 2.131 30 10 IEEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1725673662 BIRRLSZIJOKRLI-UHFFFAOYSA-N 441.561 2.283 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726507767 SVJZJQZJGHUPIW-ZNUSLJCYSA-N 428.537 2.323 30 10 IEEE CCOCc1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1728979590 OIBDVTIXNHBXMC-DQRAZIAOSA-N 449.515 2.459 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC(C)(C)N1CCOCC1 1730761109 HKOCKMJAUKSMJE-UHFFFAOYSA-N 427.553 2.126 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1740628471 YCXYEUXTOAAIOD-RBUKOAKNSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)Cc1ccccc1 1740658696 PJDYBHCSYWTXDU-OAQYLSRUSA-N 432.572 2.384 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnnn1C 1740772124 IZAJVONJTZBXSX-UHFFFAOYSA-N 433.520 2.254 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS(=O)(=O)C1 1740777941 UIBUOXOCIDOTEL-BZSNNMDCSA-N 426.583 2.229 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740886451 HZNFLFYGAGZAFT-HSZRJFAPSA-N 437.548 2.072 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1748747918 OQXZMOHWNWUBQD-GCJKJVERSA-N 427.936 2.480 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748802399 PIHCLCIAUJMQTL-LJQANCHMSA-N 435.638 2.324 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748808082 HROGPXZROHTAJM-FUHWJXTLSA-N 446.598 2.334 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1748983467 PLYXOLLCYHXYRX-QVKFZJNVSA-N 433.915 2.033 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749131812 WAFWOBIFKBGCRQ-SCTDSRPQSA-N 438.594 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1749664547 RKRKRXZCRLIBNJ-HNNXBMFYSA-N 425.411 2.023 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749709163 OAENYBALYNSGCS-ROUUACIJSA-N 438.594 2.311 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)o1 1751493641 BHWDQCMXHZHVPR-OKZBNKHCSA-N 428.537 2.463 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@@H]1CCCO1 1760102711 PDDHOOSHSNVPET-HKUYNNGSSA-N 446.573 2.392 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1760137657 LUYVQCALSJNXJA-LJQANCHMSA-N 449.552 2.190 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1760184769 LTKRMLRYADXFQQ-QGZVFWFLSA-N 427.530 2.168 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760192861 YVIQKZLBMKZGCZ-ICSRJNTNSA-N 430.574 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC(=O)N(C)Cc1ccccc1 1760220259 FMVZKCKBSQQMTD-UHFFFAOYSA-N 426.524 2.385 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2([S@](C)=O)CCC2)CC1 1760258611 ZYOLYUMTHPUTAT-PMERELPUSA-N 427.574 2.010 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1760260521 VXYGUFGLJYACMA-YADHBBJMSA-N 449.603 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)CC1 1760270980 HEIIYCMMFQFGRQ-UHFFFAOYSA-N 432.528 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=C)Cl)CC1 1760271489 ZLJWINLYMBZLNQ-UHFFFAOYSA-N 438.919 2.447 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760346024 DTUZIVYQDMGIEI-IBGZPJMESA-N 432.594 2.486 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)C1 1760351320 GHWIEZAYAWWZMF-IEBWSBKVSA-N 433.578 2.475 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1760357042 CLSBTUXSODMBSG-GHTZIAJQSA-N 441.532 2.488 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1760361979 XWOWUMVRNUJCOV-CVDCTZTESA-N 447.580 2.114 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760408259 HIYJMZIUFIDSHW-INIZCTEOSA-N 435.536 2.190 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760500496 LTVRGPDXOFGXET-KDURUIRLSA-N 448.612 2.041 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1760514807 FXODUKVYFBUGFF-QGZVFWFLSA-N 426.912 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCC2(CCOCC2)C1 1760556040 SZBSXHWKBUSGCI-GOSISDBHSA-N 438.594 2.170 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1ccn(C)n1 1766395306 BXBHLAVISWFCIN-UHFFFAOYSA-N 434.548 2.379 30 10 IEEE CN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1767350417 HZZAGULLGHIBFO-CYBMUJFWSA-N 429.834 2.216 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1769276094 NBXODRNWSYXQPK-SFHVURJKSA-N 441.511 2.185 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)C1 1770110444 SNHFIRJXXAJQLV-NJDAHSKKSA-N 441.532 2.110 30 10 IEEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1770314720 SCHSTSZWCWIICP-RLBWVDARSA-N 435.488 2.076 30 10 IEEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCCc4nc(C#N)ccc43)n2)cc1OC 1849739430 QGGOHAZOUOSLNU-UHFFFAOYSA-N 431.452 2.174 30 10 IEEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3ccc(C#N)c[nH]3)c2C)C1 1851006442 MAFQWTMCFLUAFH-HNNXBMFYSA-N 434.422 2.410 30 10 IEEE C=CCC1C(=O)NC(=NC(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)NC1=O 1851410993 WAVXUEISALOPAY-GFCCVEGCSA-N 443.813 2.044 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3 1851988801 KWTUFXKWOODXON-UHFFFAOYSA-N 441.289 2.433 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(Cl)cc1 1852592944 WPLZWVRUWITPCA-ZDUSSCGKSA-N 432.937 2.334 30 10 IEEE COc1ccc2nc(N3CCN([C@@H]4CCCCN(C(=O)CC#N)C4=O)CC3)sc2c1 1855958888 GXQHWSJGTHRHCO-QGZVFWFLSA-N 427.530 2.248 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3C#N)CC2)c1 1858625495 LGSUFCFMZFIYID-UHFFFAOYSA-N 430.486 2.114 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862573876 CFAIBMJNEGULHF-ODXCJYRJSA-N 443.452 2.377 30 10 IEEE C#CCOc1cn(Cc2cccc(C)c2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870560137 IYMNIYVHZBMVNC-UHFFFAOYSA-N 429.524 2.329 30 10 IEEE C#CCOc1cn(Cc2ccccc2F)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561230 DUATYWNJPBDQIJ-UHFFFAOYSA-N 427.476 2.322 30 10 IEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(OCC)cc1 1871034399 NJKVYSVAQJWWGS-UHFFFAOYSA-N 427.501 2.283 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccn2C)cc1OC 1874200020 HFYNXDUCUPXYSY-YDZHTSKRSA-N 442.545 2.269 30 10 IEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1890414606 OUQADEFNICBKHF-UHFFFAOYSA-N 441.597 2.260 30 10 IEEE N#CC12COC(Cn3cnc(I)c3I)(C1)C2 1976422691 FEERXODGJMHWDE-UHFFFAOYSA-N 441.010 2.165 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 1985008796 YFDPKWMRKATIJN-JYJNAYRXSA-N 427.542 2.190 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1991906933 NSHFJOQMDYTCIA-OAQYLSRUSA-N 427.542 2.336 30 10 IEEE C#CCN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[C@H]1CCOC1 2009820120 OULGVVRMLZYHKY-RDPSFJRHSA-N 427.545 2.407 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085658090 BPFROAUIWLEYLR-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141677809 JMOYUPGAABTLHZ-INIZCTEOSA-N 447.341 2.345 30 10 IEEE C[C@@H](c1cscc1C#CCO)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186591587 NSGOGNXJZYKIPI-HNNXBMFYSA-N 446.550 2.101 30 10 IEEE Cc1csc(CNC(=O)CONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243677732 ZLROAKGXOKWHJI-UHFFFAOYSA-N 426.344 2.428 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2257635366 FRFWZOJXFWJJFE-AWEZNQCLSA-N 439.337 2.232 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258956846 HTMNGDITVGLZPY-OPAMFIHVSA-N 434.342 2.154 30 10 IEEE Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998850 JDHKFUWLBAZSLA-VQIMIIECSA-N 438.381 2.278 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267142551 WDKWWMGPHQDSEL-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267143578 KEHJSDNCJQLQPD-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2267500908 QCQWJBNZJVQCPQ-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501426 XXQSWFUZALCGJT-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876568 NYOUZPIRQCSBAX-OAHLLOKOSA-N 448.373 2.493 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268713739 BDHAJVHLRRUGMR-DOTOQJQBSA-N 448.369 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1coc(B3OC(C)(C)C(C)(C)O3)c1)CCO2 2272919225 JPCVMDCWTSHZCR-UHFFFAOYSA-N 448.325 2.041 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(OC)c2)cc1 2329260347 JJRUYQLJWJPLFJ-UHFFFAOYSA-N 427.486 2.051 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330935602 OIRFQWDOCQHTTH-HNNXBMFYSA-N 434.478 2.244 30 10 IEEE COCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cc(OC)c(O)c(OC)c1 2331597238 VPYMYYKQRQIIRT-UHFFFAOYSA-N 438.506 2.321 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(Nc1cc(Br)ccc1C#N)C(=O)O 2347978013 LKBZGWAEHJZRRI-CXAGYDPISA-N 426.267 2.480 30 10 IEEE COc1ccc(CN2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c(OC)c1OC 22808219 WELMNDPBUVZPCV-HXOBKFHXSA-N 432.565 2.273 30 10 IEEE CCOc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 26943439 IBQZBFGDLBKUQC-UHFFFAOYSA-N 427.526 2.423 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3oc(C)c(C(=O)OC)c3C#N)cc2C1=O 170521456 FNRRKOPSNBUDHI-UHFFFAOYSA-N 425.397 2.131 30 10 IEEE Cn1c(=O)c2c(nc(NN=C/C=C/c3ccc([N+](=O)[O-])o3)n2Cc2ccccc2)n(C)c1=O 254834493 AEQJBSUYTZUXOQ-MZMJOOCESA-N 449.427 2.094 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NC[C@H]3CCCO3)nc(O)c2[C@H]1c1ccc2c(c1)OCCCO2 256031941 OYASRYXDVRAZBN-KEYYUXOJSA-N 437.456 2.158 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 261434298 KWSOAYIEYVKSIM-CRAIPNDOSA-N 446.479 2.408 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)nnc12 303911973 MRMXBARIFAFULB-JKSUJKDBSA-N 440.573 2.263 30 10 IEEE O=C(COc1ccc(Br)cc1Br)N[C@H](CCS)C(=O)O 312165205 BGKNQDPFUGSINA-SECBINFHSA-N 427.114 2.480 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C 466785734 BGIZHNGVZTVDAV-LAUBAEHRSA-N 430.512 2.456 30 10 IEEE N#CC1(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)CCN(Cc2ccccc2)CC1 479245368 NISOLRHYPRPDFO-UHFFFAOYSA-N 444.543 2.015 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 479911455 AAHSSPHBPZGFDK-MRXNPFEDSA-N 434.475 2.328 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c(C#N)cn1CCOC 481505360 YWODUOGKVBODPG-SFHVURJKSA-N 442.472 2.494 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccc(F)cc1 481983579 RBCZAGDZSSQRTD-UHFFFAOYSA-N 438.509 2.001 30 10 IEEE Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O 489090223 UUXNIPZUBQFGHU-MRXNPFEDSA-N 439.472 2.435 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccncc4)cc3)C2)nc1 490049397 VWIFSEFUMLJQTC-IBGZPJMESA-N 449.492 2.443 30 10 IEEE COc1cccc(C2=CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)c1 492416729 KYGNPOPUXNPXEU-UHFFFAOYSA-N 442.479 2.461 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 508511456 UNULNRBMYNTNQU-UHFFFAOYSA-N 444.473 2.143 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 508918433 FMWBWZGNQOWNBR-LAUBAEHRSA-N 432.546 2.309 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1-c1ccccc1C 514517043 ZKAVYOIGKITWSX-UHFFFAOYSA-N 443.450 2.475 30 10 IEEE COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 515625698 ANMDWYWMWKYEHV-LBPRGKRZSA-N 443.934 2.326 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)CC1 516644406 DMBBRBXXDSWDCM-UHFFFAOYSA-N 428.496 2.195 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3cccc(F)c3C)o2)c1=O 523755369 VDDQKWMIUYQKOY-UHFFFAOYSA-N 425.485 2.276 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)Cc2ccc(C(=O)OC)o2)nc1C 526895819 CGSSUPGYGKXWBK-MUUNZHRXSA-N 426.472 2.061 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccc(CN5C(=O)CNC5=O)cc4)no3)cc2C1=O 546307464 CWKJWQSRYQKJES-UHFFFAOYSA-N 443.419 2.237 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2cc(OC)ncn2)CC1 549248690 VUGADVRSSBHAEZ-UHFFFAOYSA-N 435.488 2.375 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C2)c(F)c1 553572934 SZKCJBRQOIRDJB-OALUTQOASA-N 436.487 2.320 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)ccc1C 556026593 PJLHSAXLZGIKIN-QGZVFWFLSA-N 438.549 2.136 30 10 IEEE COc1cc(CNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1C#N 564695054 ZOIHWDXRUQAZPD-UHFFFAOYSA-N 434.543 2.281 30 10 IEEE COC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 573388780 XUVYCJUVHKZFEI-HXUWFJFHSA-N 433.468 2.155 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 588152268 MDGXUZVXRWUTKL-UKRRQHHQSA-N 432.492 2.485 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 612894876 VFGPCBJAYQADQV-GOSISDBHSA-N 438.509 2.393 30 10 IEEE CCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 655038242 DTYLKYGPEVBDRU-UHFFFAOYSA-N 442.537 2.218 30 10 IEEE COc1cc2c(cc1OC)CCN(CN1C(=O)N[C@](C)(c3cccc(C#N)c3)C1=O)CC2 725768340 AMAWQKUHMAIWDG-XMMPIXPASA-N 434.496 2.401 30 10 IEEE C#Cc1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 726438451 RWTKSRMSCVUJCR-UHFFFAOYSA-N 430.511 2.279 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)c1 726581788 JATHJVQHPYSVKK-UHFFFAOYSA-N 442.544 2.103 30 10 IEEE COc1ccc(OC)c(/C=C\C(=O)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)c1 733867619 OMBUEDNJHYKCEA-NTMALXAHSA-N 439.511 2.326 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)s1 736584853 RLSPEMJSDUYDOF-UHFFFAOYSA-N 438.578 2.308 30 10 IEEE COc1ccc(N2CCN(CCNC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)CC2)cc1 761672083 GCLDNKNJUBAWAD-DEOSSOPVSA-N 449.555 2.472 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2Br)cn1 763383081 UKXLADMYGNJYEF-UHFFFAOYSA-N 448.258 2.400 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCC(=O)N[C@](C)(C#N)C(C)C 767830221 PAIUJKDEUQYPSB-QGZVFWFLSA-N 445.335 2.372 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCC(C)(C)C2)cn1 768417140 LGGSEHDMJQKRFB-IAGOWNOFSA-N 434.610 2.481 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 772279822 QYUNJMBKNQMUJG-SFHVURJKSA-N 438.553 2.038 30 10 IEEE C=CCN(C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 773850508 IJGTUWOCIXLOGY-HNNXBMFYSA-N 436.521 2.471 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 774704582 QBAUNKIEYVTQHT-UXHICEINSA-N 433.597 2.153 30 10 IEEE COCc1ccsc1C(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 779194981 RVHILCOWZRGZHE-QGZVFWFLSA-N 428.470 2.474 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 780650427 FNVJDVBUUGKJDE-IBGZPJMESA-N 427.892 2.348 30 10 IEEE COC(=O)c1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 782812649 DPKBXZLJYPNBRC-UHFFFAOYSA-N 430.486 2.106 30 10 IEEE C=CCn1c(COc2ccccc2F)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787238712 BKIPSVSQBZODMK-UHFFFAOYSA-N 449.552 2.456 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)cc2C)n1 788695698 YKXVEIGJWNKKIH-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)c1cc[nH]n1 789950213 PJRWDPNVEAIZTE-KRWDZBQOSA-N 430.461 2.074 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1-c1ccsc1 790439963 ZDFQFVQHKARGHL-UHFFFAOYSA-N 444.541 2.290 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@]3(C(=O)OC)C[C@@H](OCC)C3(C)C)ccc2c1=O 797755327 CQSUPYLLEUOZLO-OPAMFIHVSA-N 445.541 2.348 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802601353 SFLNKEFUDIGXOH-UHFFFAOYSA-N 446.621 2.462 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(CN3CCOCC3)cn2)C1=O 809960963 HVCNYTBKNGYSTR-QFIPXVFZSA-N 431.537 2.230 30 10 IEEE C#C[C@@H](NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(F)cc1 812751953 PHKDZKBLYZPENV-HXUWFJFHSA-N 445.516 2.077 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(F)cc1 812875281 PRMYLUVEDRGRCR-FPOVZHCZSA-N 445.516 2.457 30 10 IEEE O=C1C(=NNS(=O)(=O)Cc2ccccc2)c2ccccc2N1CCN1CCCCC1 1084232375 XYQSCXVCFMLLLK-UHFFFAOYSA-N 426.542 2.343 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(Cl)cc3)n[nH]2)cn1 1084593441 ZOKMIXMFZGPNEX-UHFFFAOYSA-N 448.940 2.156 30 10 IEEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1c(C)c(C#N)nn1-c1ccccc1 1129392623 GRGQXTJAWAIJSJ-UHFFFAOYSA-N 447.499 2.264 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 1142710810 QGSYFXFQVDICBG-YDJIHCHBSA-N 425.876 2.454 30 10 IEEE C=CC[C@@]1(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1148803380 ZHRTXBZJKBIONQ-FQEVSTJZSA-N 441.525 2.435 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCOC4(CC(C(=O)OC)C4)C3)ccc2c1=O 1161791722 RCBKEXFIJRDXGN-HEOKHYPTSA-N 443.525 2.102 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)c1 1169831319 PXRWAWAXSZRXOF-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE C[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 1179393985 PGCGXKZGGZMJIN-CQSZACIVSA-N 430.486 2.333 30 10 IEEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1194088823 WOUDMKHVYJHIDK-VIFPVBQESA-N 426.716 2.495 30 10 IEEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 1248525637 SUCOXQDAFNELEB-XJKCOSOUSA-N 430.534 2.310 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1286394201 NUJRVGSRXYVHNL-SFTDATJTSA-N 442.585 2.268 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1286483925 DQXMLGKFIBHMHN-GOSISDBHSA-N 426.540 2.234 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286510108 JHQCKUSSTRVFOA-CALCHBBNSA-N 435.594 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286562289 JVRCSSNQBKHQGL-FAKFISEUSA-N 433.597 2.442 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286684584 JRKKVLYVZUMPKC-UHFFFAOYSA-N 435.598 2.285 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1286757906 YGPZJWGTGZKXNU-QGZVFWFLSA-N 426.546 2.363 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(OC)cc2)C1 1286807539 DGCCAJYCIFCHST-DBVUQKKJSA-N 441.532 2.487 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cc1 1286958903 CHYMKLBOVWVTDK-HZPDHXFCSA-N 434.566 2.320 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCCCC2=O)CCOC1 1288301440 KLLWBBOIUXSVDK-HSZRJFAPSA-N 444.580 2.461 30 10 IEEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CC2)n1 1290901500 BFICGBXTGDGXCB-IAGOWNOFSA-N 449.563 2.342 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 1291755289 COVHJWMYOLHXNY-UHFFFAOYSA-N 435.452 2.029 30 10 IEEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(CC#N)CC2)C1 1296967266 LKTCYGAHKZIIKL-DMONPFRGSA-N 433.553 2.062 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCOC1 1298133050 KKSQCHRJMDQDPQ-RBUKOAKNSA-N 446.502 2.398 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)c1 1299009203 GHKGFBCZJIUQJJ-UHFFFAOYSA-N 435.542 2.494 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1300741418 WIKGPGPZJOHMQH-LXGFNABISA-N 438.594 2.141 30 10 IEEE C=CCCOCCn1c(N2CCN(c3cncc4nc(C)nn34)CC2)nnc1C(C)(C)C 1301258849 BXWIQVWBJUUMIE-UHFFFAOYSA-N 439.568 2.241 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1301351550 VXFWKRHMWGXSNC-MRXNPFEDSA-N 444.536 2.445 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccnn1C)C1CC1 1301520691 LXVYRHXQVFLKQP-UYAOXDASSA-N 441.580 2.401 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)c1ccccc1 1302097604 MUTOSIHPMOGTBS-GGPKGHCWSA-N 428.537 2.256 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCC(=O)NC1CC1 1302292730 CAMUZJDONFHWFT-XWFZLUIHSA-N 430.553 2.191 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3cccnc3)n1CCCOC(F)F)C2 1302989830 QOWCYMGZQHOWBE-UHFFFAOYSA-N 441.442 2.428 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCc2cccnc2)cc1 1302994002 IBDRPZJVLBZTMT-HXUWFJFHSA-N 445.527 2.458 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1303939274 BYMCCHAPMFNMPR-GHTZIAJQSA-N 428.562 2.219 30 10 IEEE CC1(C)CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1303960390 UMBLGNUVENRGJT-QZQOTICOSA-N 435.532 2.417 30 10 IEEE Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304867056 PVMDOUSUVFHREW-DNZUHHBVSA-N 448.936 2.406 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@]2(CCOC2)Oc2ccccc21 1306012690 ADAQRTATONPWEI-OHEPNIRZSA-N 441.509 2.024 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306183087 OYOKSNAQCBAGIT-GHVJWSGMSA-N 449.559 2.079 30 10 IEEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1C(F)(F)F 1306892622 JZMPNDGLVNGLCO-UHFFFAOYSA-N 449.385 2.339 30 10 IEEE CN(CC1CCCCC1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1314798416 GYSYWFJJIZKSPN-UHFFFAOYSA-N 446.577 2.294 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1315645836 DWVNHKSRZFSLMR-INIZCTEOSA-N 447.561 2.429 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC[C@H]1C 1315719880 RNSYICRMQKZXPF-QAPCUYQASA-N 429.546 2.255 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315811329 FXKWTESRQSLNPQ-WBVHZDCISA-N 444.511 2.123 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1316290622 NXUMUMWPDXINRV-MXBUBSDBSA-N 444.580 2.391 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1316350867 AAHMTNNEBRLTBC-GOSISDBHSA-N 441.916 2.102 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1358890152 LSOBNNKBIQALQY-UONOGXRCSA-N 431.543 2.403 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 1358929715 GIDXHXJJYVHFHH-ZWKOTPCHSA-N 449.602 2.427 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2)c(F)c1 1358937987 NNVYJEMGGJDRRG-UHFFFAOYSA-N 430.447 2.368 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCCO2)CC1 1359042750 RZMCXOFKTCSVMR-OAQYLSRUSA-N 437.544 2.489 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2cc(C)on2)CC1 1359106031 WUGPYDPMYCFWNW-RXVVDRJESA-N 430.553 2.414 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359183273 HLWRROTZXXBIHR-QFIPXVFZSA-N 425.537 2.490 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1)C1CC1 1359248079 ZPKDBWNEHSNZQV-UHFFFAOYSA-N 441.561 2.265 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1)C1CC1 1359251190 FHWCJFVXSSHJMG-KRWDZBQOSA-N 437.591 2.070 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)N(C)C)C1 1359319980 JXQNVCQSZNWAFB-AZUAARDMSA-N 440.596 2.184 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)F 1359470600 BCMHGAJFZQBGQC-CYBMUJFWSA-N 441.508 2.463 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C2 1472225101 OMCDFOZZYGSQJR-CQSZACIVSA-N 436.584 2.392 30 10 IEEE Cc1cc(Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)c(C#N)cc1[N+](=O)[O-] 1472695186 KYIXFVSBRKMUTR-UHFFFAOYSA-N 444.469 2.285 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(COc3ccc(F)cc3)n2N)c1 1472963649 XUELXSATVSITOX-UHFFFAOYSA-N 440.460 2.132 30 10 IEEE C#CCN(CCS(=O)(=O)c1ccc(C#N)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1473797959 SPWGJKLOMQMFSH-UHFFFAOYSA-N 432.546 2.062 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1c(C)noc1C 1499328356 GELOXOWCELTNEX-FQEVSTJZSA-N 449.515 2.291 30 10 IEEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1500634293 GXIYLUCTEQKHNJ-LJQANCHMSA-N 437.548 2.244 30 10 IEEE CN(C)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)cn1 1503391462 BKYCOHAPLVXQPQ-GOSISDBHSA-N 444.543 2.418 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1507516451 LEYOXWONWOFPDG-OLZOCXBDSA-N 425.942 2.057 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)CC=C 1507702305 SVRZGASVEFSMFJ-SFHVURJKSA-N 432.521 2.162 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)c2ncc(C)s2)CC1 1507740299 ZXHANULQXODESN-YJBOKZPZSA-N 442.589 2.316 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1508073383 WTAQQSXQDRYISD-HKUYNNGSSA-N 429.496 2.290 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2OCC)CC1 1508080967 UWCBMOBFEBNYEV-UHFFFAOYSA-N 435.532 2.301 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)[C@@H]1CC 1508103173 FREVCYYUSDQMIQ-MOPGFXCFSA-N 425.533 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1508132408 UCSXCPUVPQQYOV-WMZHIEFXSA-N 443.523 2.229 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1518894900 DCWLFGHJYOGTBW-DYESRHJHSA-N 429.546 2.069 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)C[C@@H]21 1519483571 COYQBTAHVOEKGE-YZGWKJHDSA-N 438.532 2.115 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2=CCCOC2)c1 1519513757 YEOCZNYWTNLJLI-HXUWFJFHSA-N 431.493 2.137 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc(OC)c1OC 1528058499 JVCXUEXCJJFUKH-GOSISDBHSA-N 434.452 2.317 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(-n3ccnn3)ccc2F)c1 1534106326 UDNBHJPYLCPSJZ-LYBHJNIJSA-N 442.476 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(C(N)=O)CCOCC1 1539237752 KHTAESCYAXRQNZ-UHFFFAOYSA-N 431.540 2.103 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCc2ccccc2)CC1 1539428676 VNZVNUUPGCRJQU-UHFFFAOYSA-N 438.601 2.203 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](OC)C(C)C)CC1 1539436667 YQWVLDMOFJNEGW-OAQYLSRUSA-N 427.549 2.389 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC)C1CC1 1540109183 XBAYWZBLIFPLDF-MRXNPFEDSA-N 427.505 2.458 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1540201154 OROUVJYPLZADFD-CQSZACIVSA-N 426.489 2.146 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1540916051 RUFNCALRKWLDDF-QGZVFWFLSA-N 432.594 2.130 30 10 IEEE CC(C)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541603950 CFJARSNMTZREGP-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)cc1 1542482659 AHFXCIPESFHTPK-LJQANCHMSA-N 447.561 2.109 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1552859145 YUMZUESNVGLOMP-UHFFFAOYSA-N 447.591 2.465 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)c1 1555011936 LPJKRMRODHGMKM-WOJBJXKFSA-N 427.505 2.268 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)CC1 1555206032 CTAIFQODCZNPET-QHCPKHFHSA-N 438.532 2.117 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C 1557082207 ORPXPZDWHMTWFR-KBPBESRZSA-N 440.338 2.012 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(c2cc(C#N)c(Br)cn2)CC1 1559057988 VQRCCQMBOXACKR-UHFFFAOYSA-N 440.323 2.222 30 10 IEEE C[C@]1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)CCO1 1560182828 QGWAUEAOKVRGCE-QGRTWZNFSA-N 448.932 2.107 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1561745048 HCUIRGMGDCASRM-VQIMIIECSA-N 428.576 2.121 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1587579914 LHHDGYFGLKSPAP-CVEARBPZSA-N 447.486 2.499 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588053347 CTQQEOSUGREZGE-GOSISDBHSA-N 431.562 2.410 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(n1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1588058889 FAVJJDPTSNKIQX-HXUWFJFHSA-N 441.601 2.425 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1588266616 SXNDTGKCRHHKCW-CYBMUJFWSA-N 427.933 2.383 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)nn(-c2ccccc2)c1C 1588638248 QKOVLQVBJGQTCG-OAQYLSRUSA-N 447.543 2.166 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc(OC)nc1OC 1589151205 UOQDOHBUEORBBY-KSFYIVLOSA-N 429.521 2.455 30 10 IEEE COc1cccc([S@](=O)CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 1596420416 QNOPGGZSJCERGF-XJFOAMIZSA-N 449.554 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)C1 1607394131 FJSGJEFJCYIRIP-NRFANRHFSA-N 439.560 2.291 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4cccc(Cl)c4)C[C@H]3C)CC2)o1 1618083797 FMNKJGFITSRHIS-MRXNPFEDSA-N 442.951 2.367 30 10 IEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCNC(=O)C2CCC2)CCO1 1620356575 CCNOTCALVNAJGA-NRFANRHFSA-N 436.560 2.489 30 10 IEEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1624956828 ZMNKTKFGJRYCHL-OAHLLOKOSA-N 438.550 2.302 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1628005992 NLLQQNZPYNWYHQ-UAGQMJEPSA-N 428.938 2.261 30 10 IEEE C#CCN(CC(=O)N1CCN(CCOc2cccc(OC)c2)CC1)C(=O)OC(C)(C)C 1631143710 CDPWPWHEBDHWOS-UHFFFAOYSA-N 431.533 2.089 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccncc2Br)s1 1631859762 JPTBMFHNXIZCKV-UHFFFAOYSA-N 430.349 2.229 30 10 IEEE N#C[C@]12CN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1633660320 VPLINOPWUGMEBE-ZJNRKIDTSA-N 443.356 2.152 30 10 IEEE COc1ccccc1CCNC(=O)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634449433 VJIDJVWNWFQLPE-UHFFFAOYSA-N 443.544 2.121 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1636632024 RGEREUBXGRSWSW-UZUQRXQVSA-N 427.501 2.297 30 10 IEEE O=C(NO)c1ccc(CNC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)cc1 1639590843 BASSNNHKDQKGJY-UHFFFAOYSA-N 449.504 2.242 30 10 IEEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C1CCOCC1 1640925647 NFARNJXJHQIFSI-LJQANCHMSA-N 442.493 2.374 30 10 IEEE C#C[C@H](CO)NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 1641574000 CKCQKDYYRCSIAC-GOSISDBHSA-N 448.519 2.432 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)s1 1643667647 CWNGVQHORUSPEG-FQEVSTJZSA-N 443.554 2.047 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 1648119550 OFKCZUHFDFAVHE-CVDCTZTESA-N 428.533 2.405 30 10 IEEE C=CC[S@](=O)(=NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)c1ccccc1 1648461703 OYJRKTZQOGWOCJ-LGNVEDGCSA-N 436.555 2.262 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1649545405 XFGKQOIZMRHAQU-CQSZACIVSA-N 447.337 2.209 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N 1649563097 FTAXGPMPBWIEJH-KGLIPLIRSA-N 436.358 2.495 30 10 IEEE C=CCCCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1653423275 LGKPVSILKCRAEY-UHFFFAOYSA-N 429.533 2.476 30 10 IEEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1659560971 AHXUOZYNLYUEGD-UHFFFAOYSA-N 445.541 2.035 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1 1662411681 CPHZPPGDMNPZHW-SFHVURJKSA-N 429.502 2.351 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)CC1 1672984688 ZWHLMCMMGZJDHM-QAPCUYQASA-N 430.480 2.366 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1684863130 ICCOQUDBGMDTPD-MOPGFXCFSA-N 426.517 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 1689851433 QWLVSAVHTNZDGT-AOMKIAJQSA-N 433.553 2.002 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCS(=O)(=O)c1ccccc1 1689868616 MAGAYXWEFHZJRF-HBFSDRIKSA-N 446.573 2.324 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1689972612 VKBCBQKLXVJWQE-NRFANRHFSA-N 447.587 2.478 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC2(C1)OCCO2 1690063659 LLDXIOPMNPPENL-QGZVFWFLSA-N 444.557 2.351 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1690159649 IDZGXAHGIAITIA-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1690508881 RSYQNWPPQUJNAA-SFHVURJKSA-N 438.594 2.170 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 1690671891 BHWFNFSLRPQOGI-SJORKVTESA-N 448.568 2.125 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCc2oncc2C1 1690675662 AVIKANAZBSMEON-UHFFFAOYSA-N 428.880 2.363 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](F)C1 1690682672 VWNLVXMCFBISAN-VYDXJSESSA-N 437.541 2.296 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)C1 1690699166 AKDXNOCUMMAFQA-CABCVRRESA-N 437.591 2.029 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1692668452 LTNYDQXPOUBZRI-MAUKXSAKSA-N 433.534 2.350 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1696749382 CZPBGDVDXIHEKL-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE COc1ccc(COCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697466445 WUXSXKRKQKZTGS-QUCCMNQESA-N 427.505 2.126 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1698225634 FRJMQNQLHVHSFK-QGZVFWFLSA-N 429.521 2.395 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)Nc1ccccc1 1698246612 WIEFZVAHVPWYHB-XWFZLUIHSA-N 442.495 2.473 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1698484366 QMYVZGBHOIJSPP-NRFANRHFSA-N 441.417 2.131 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1noc2c1CCCC2 1705545176 RYCZPJPGWMMYID-UHFFFAOYSA-N 425.514 2.333 30 10 IEEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705549132 IRMKKOZOTUDADN-QYZOEREBSA-N 438.532 2.434 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1705611890 RQSASVASMFVDMA-HNNXBMFYSA-N 449.296 2.342 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)C2CC2)CC1 1705634280 QCDHFJXBCXWJJL-JOCHJYFZSA-N 431.487 2.463 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705663843 DVOJHJRQAYPOSM-MJGOQNOKSA-N 425.558 2.247 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705730769 NRVZCJNLAAYUGC-OXJNMPFZSA-N 443.614 2.122 30 10 IEEE C=CCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893763 SGIIXFLEIDCYJZ-XMSQKQJNSA-N 427.553 2.400 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705908293 MTJFEHMKSUOADL-QUCCMNQESA-N 438.576 2.395 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1706934660 DHOZFWUTVGGYFP-CSODHUTKSA-N 438.523 2.268 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCOC1 1711045687 JSTFPKZVMRYRAF-KRWDZBQOSA-N 426.521 2.259 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1722331933 AYXHCCZSCYKFGT-APWZRJJASA-N 449.552 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722370160 HYMKAWHJTLKDIX-GOSISDBHSA-N 442.564 2.136 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cccs1 1722377950 JIVJKAMXENRJRJ-UHFFFAOYSA-N 447.520 2.281 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnccc1OC 1722411729 OFLGTXIRWCWIAM-UHFFFAOYSA-N 432.532 2.364 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1722412625 MNGXETAWZAEIOH-UHFFFAOYSA-N 444.586 2.072 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2cc(F)ccc12 1722419024 LLILOFIOWPIIMF-UHFFFAOYSA-N 426.496 2.365 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 1722431848 SUPQSCZUIDXVJY-HTAPYJJXSA-N 445.564 2.180 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722536190 LELHGKGFSBIWJO-QFIPXVFZSA-N 429.496 2.448 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722585829 KTAQOIKLVZSBLK-GOSISDBHSA-N 449.563 2.486 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722611433 JUTLWXAODSZVFY-SFHVURJKSA-N 429.521 2.270 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1722657565 GFJHJRARDOAHTQ-HNNXBMFYSA-N 436.438 2.100 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722700149 XZYMYVCVMWCPER-QGZVFWFLSA-N 442.539 2.003 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722708094 JLSANUKUODDFBR-FQEVSTJZSA-N 427.549 2.431 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1730942976 RKXXODXGXBHEIC-BQFCYCMXSA-N 430.553 2.047 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1730992162 RTBAQTXVHINLFG-YLJYHZDGSA-N 433.509 2.218 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740619883 MCJRCLXIULXUET-DNVFCKCGSA-N 442.585 2.431 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740771041 PYZAHYIZUFEQMS-JOCHJYFZSA-N 441.557 2.445 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1740985733 UFSFRLNVHVCQTF-KKIUXKEOSA-N 441.557 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2c(cccc2OC)C1 1740995645 SKJGGKIHFCLPNP-LJQANCHMSA-N 432.546 2.302 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748818315 YVSLIZQXECLONU-LSDHHAIUSA-N 434.484 2.141 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCc2ccccc2C1 1748830276 STHPYJGKGKRUHN-AREMUKBSSA-N 447.583 2.450 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1749163864 RKCVDIGXWCEXAP-UHFFFAOYSA-N 431.610 2.200 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)CC1 1749329940 WKRWOVKXDBIDBU-ZLPCBKJTSA-N 425.599 2.496 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CCO1 1749551876 GGDALJQPWSBABP-IBGZPJMESA-N 433.516 2.178 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1749572934 HQNWPIANZPGLQW-WJOKGBTCSA-N 438.557 2.282 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749664075 WCWPLGNDZBKSQP-LJQANCHMSA-N 440.454 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCSC2)C1 1749732517 XWFAELGXSVHXFG-LPHOPBHVSA-N 426.608 2.106 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1760116082 FGYWNPQRJQWFLH-JQVVWYNYSA-N 438.576 2.275 30 10 IEEE C#CCCCn1c(N(C)Cc2cccc(C(N)=O)c2)nnc1[C@]1(OC(C)C)CCOC1 1760159768 PAADKMOAUGIXQC-QHCPKHFHSA-N 425.533 2.467 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1760173483 WVUFXOQRFAVBTH-UHFFFAOYSA-N 426.565 2.058 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1760205914 MXQHIGRHESMKKU-NJDAHSKKSA-N 445.633 2.011 30 10 IEEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1760228045 TXSJNYYSLRBVII-IBGZPJMESA-N 430.574 2.219 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760278949 MLBXZMDHRAHORW-QGZVFWFLSA-N 445.593 2.491 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCOC2)C1 1760359315 FMAHXGXKTQPNCV-NRFANRHFSA-N 431.562 2.479 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760494731 YXQQNFOSUGPFJG-GOSISDBHSA-N 429.546 2.001 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760526808 UHBUYYAHIVMJNQ-MRXNPFEDSA-N 439.438 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(F)(F)F 1760553059 KIQVXDQPBWBNRW-UHFFFAOYSA-N 446.451 2.316 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)C1 1761545838 JMRNYBPDEOBOON-KKSFZXQISA-N 444.561 2.205 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1763034180 CALVXAZAZHCLAE-ZDUSSCGKSA-N 426.431 2.124 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC#N)CC1 1765559342 CWRUOVPKMBPBOJ-AZUAARDMSA-N 441.628 2.152 30 10 IEEE CCN(C)C(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@]1(OC(C)C)CCOC1 1766386155 NMZJWUSQMGILGM-QHCPKHFHSA-N 440.548 2.305 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1766427767 CSOXSOLSGFOYJT-QUCCMNQESA-N 440.548 2.389 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cnnn1C 1767445944 AZKBKJZEDNPMLS-GOSISDBHSA-N 444.341 2.353 30 10 IEEE CN(C)c1cccnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1768499081 NGZJHFZNRTUNLL-OAHLLOKOSA-N 439.470 2.385 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1C 1769896177 HETWIXDERAZCSH-APWZRJJASA-N 446.502 2.398 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1 1771239199 XTTGTJGPOKIUOY-JOCHJYFZSA-N 437.479 2.174 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(F)cc1 1852091360 IHQYKNNOLKYFIN-AWEZNQCLSA-N 440.566 2.238 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2c(F)cccc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855734629 UIDGCKISSVQSFI-ZDUSSCGKSA-N 449.891 2.341 30 10 IEEE COc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)cc1F 1855987423 TVAJUCQOEPEILG-UHFFFAOYSA-N 431.445 2.098 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2cc(Cl)ccc2Cl)CCN1S(=O)(=O)CC#N 1856058719 PDXKJGGXSNSTFR-UHFFFAOYSA-N 432.329 2.229 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4ccc(Cl)cc4C3)CCC2=O)CC1=O 1856538749 OXADNGXZTPPRKV-APWZRJJASA-N 429.948 2.498 30 10 IEEE Cc1cccc(CCCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857020978 YPYGIILOQXMQAG-HXUWFJFHSA-N 431.558 2.258 30 10 IEEE CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1(C#N)CCCC1 1857956053 XKQWTIKZYVHDEY-UHFFFAOYSA-N 433.530 2.313 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)NC)sc2c1 1866193085 OSGMPJVNZITVSS-KGLIPLIRSA-N 436.559 2.252 30 10 IEEE C=CCn1nc(C(=O)NC2CCC3(CC2)OCCO3)c(I)c1C 1871323418 LYDNYVWREHYEHQ-UHFFFAOYSA-N 431.274 2.398 30 10 IEEE N#CC1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 1890307975 KMRFETDUNHIKPX-HNNXBMFYSA-N 445.010 2.154 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 2060818969 WEYWYWWSXZUEKU-UXHICEINSA-N 438.532 2.222 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754357 MEMLYBLTUOWVAY-QRQCRPRQSA-N 435.374 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124534805 JPPWVZMICJFDNX-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)c2)OC1(C)C 2243407221 NTTFSTPIKGAVEN-UHFFFAOYSA-N 439.321 2.409 30 10 IEEE CCc1nc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247834833 BPBFXERDSTVTFX-UHFFFAOYSA-N 437.371 2.354 30 10 IEEE Cc1nc(NC(=O)CN(C(=O)OC(C)(C)C)C2CC2)ncc1B1OC(C)(C)C(C)(C)O1 2256640927 LEFFUJBDNBYKEV-UHFFFAOYSA-N 432.330 2.422 30 10 IEEE COc1ccc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267008354 DYVVHEIDNYEORC-OAHLLOKOSA-N 448.325 2.275 30 10 IEEE Cn1nc(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267137804 PNBJBNUITOQIHH-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267191220 ZGGLRADZAOSNPB-GDBMZVCRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265090 ANDCAOKSKNWKKD-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CCON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1CN(C(=O)OC(C)(C)C)C1 2267270225 KDMUBAVHSMIGAK-UHFFFAOYSA-N 449.357 2.337 30 10 IEEE Cn1cc(C(=O)NCC[C@@]2(C)CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267501179 UFCMRGDXVNZFLI-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](F)C1 2267591506 CTWULBRUCFCAAC-SJORKVTESA-N 449.332 2.458 30 10 IEEE CON(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267596074 YVQXLIFBFOBWDZ-HNNXBMFYSA-N 447.341 2.394 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880126 PLOXVZXDKSZOLU-CABCVRRESA-N 446.357 2.199 30 10 IEEE COC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331142849 DCNMSXYKTIURDZ-UHFFFAOYSA-N 434.396 2.470 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203128 SUWZOPVINDSBKM-CABCVRRESA-N 448.373 2.095 30 10 IEEE COc1ccc(OC)c(NC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)c1 9529997 GPBSAGOWTROENY-WMZOPIPTSA-N 447.538 2.446 30 10 IEEE C/C(=N/Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccncc1 59023752 ICZSIEFICCVMSY-FMCGGJTJSA-N 425.474 2.173 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2)c1ccccc1 254702559 RXCMKUGVRHFVTE-MAUKXSAKSA-N 430.507 2.326 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1 429953576 XHGZRXNGZPSJGX-DNVCBOLYSA-N 426.498 2.467 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)C2)n(C)n1 446933926 QPWTVKWSCLDTAB-QGZVFWFLSA-N 425.512 2.240 30 10 IEEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 460288791 MPVMZCXOAMJJTR-QGZVFWFLSA-N 431.489 2.293 30 10 IEEE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 461329143 FNARBYWGMMDUOG-PKOBYXMFSA-N 426.542 2.352 30 10 IEEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466102752 LNKGQRSFHRNTEQ-KRWDZBQOSA-N 439.491 2.431 30 10 IEEE C=CCN(C(=O)c1cccc(S(=O)(=O)NC)c1)[C@@H](Cc1ccccc1)C(=O)OCC 474228289 SSOBQYSWPIHLIZ-FQEVSTJZSA-N 430.526 2.397 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(-c2ccccc2C#N)c1=O 478840463 ANQKNRVPKMOOPL-QGZVFWFLSA-N 445.500 2.171 30 10 IEEE Cc1nc([C@](C)(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C2CC2)no1 497604963 XULLECSIKBUAAY-OAQYLSRUSA-N 443.529 2.092 30 10 IEEE COc1ccnc(N2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)n1 497995549 YAARYIMBBBNXJP-UHFFFAOYSA-N 449.515 2.177 30 10 IEEE COCCOc1cccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 504710006 YXJUFSIAPXUGIT-FQEVSTJZSA-N 436.468 2.105 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 517984557 AXPLBSXBMXZWTP-AWEZNQCLSA-N 431.583 2.226 30 10 IEEE COc1cc(CNC(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)ccc1C#N 555157863 QQAXSNKGUBVBLJ-UHFFFAOYSA-N 426.473 2.042 30 10 IEEE COc1ccc(CCCNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1OC 560701954 OHNJZYWHDJKJTG-UHFFFAOYSA-N 436.512 2.232 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC4(C3)Oc3ccccc3O4)C2=O)cc1 564754522 FPXXEUJUNBDBRN-KRWDZBQOSA-N 432.436 2.163 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 579176697 OLOBJZHOMJPTCX-KRWDZBQOSA-N 437.953 2.013 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 582798149 FODGMAWVXCZCRO-IBGZPJMESA-N 445.589 2.355 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)C2)nc1 590417375 XVDZXFKAIMHXGX-LLVKDONJSA-N 445.348 2.392 30 10 IEEE CC(C)c1noc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 604509406 XFGLYGXEKBTEDH-UHFFFAOYSA-N 445.545 2.214 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)cc2)nc1 609520301 HFQFMQKFLINXNA-UHFFFAOYSA-N 428.452 2.202 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 610225899 ZSAYNYBEAUTXBY-UHFFFAOYSA-N 445.497 2.285 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 610657295 OMIZYRRDVQHFKE-UHFFFAOYSA-N 436.335 2.427 30 10 IEEE CC1(C#N)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 611668264 GAKGAMITMMBSCD-WBMJQRKESA-N 446.356 2.270 30 10 IEEE COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN(c3ncccc3C#N)CC2)c1 619510195 AEKLOLFYQFVXEA-OAQYLSRUSA-N 435.528 2.456 30 10 IEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 619836565 BNXYSUKOJPHVCX-PGRDOPGGSA-N 433.560 2.382 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cccs2)cn1 730144438 MCMSARAJDRVNJA-KRWDZBQOSA-N 448.618 2.207 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 733253155 GRLBSCGZPGLJIA-KRWDZBQOSA-N 432.299 2.355 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cocn2)C1=O 741449112 KELQUONBQPPHFC-SFHVURJKSA-N 440.529 2.136 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1csc(CNC(=O)c2ccccc2)n1 750029526 DNPDDKIHBPRNPV-UHFFFAOYSA-N 427.511 2.204 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(C)c2C)C1 760303075 XLCYDZKAVDGMQY-WBVHZDCISA-N 431.562 2.175 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCC(F)(F)C2)cn1 763235734 XYSONWLOIIUHSH-LSDHHAIUSA-N 442.536 2.090 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 771588511 DJJKEZUPQFAIJG-JPYJTQIMSA-N 426.517 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CCN(c2ncccc2C#N)CC1 772219631 IYCOSSKWUNTFQK-KRWDZBQOSA-N 431.562 2.344 30 10 IEEE C#CCN(C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774162935 BPBFZQLUFIGGDB-QAPCUYQASA-N 441.956 2.448 30 10 IEEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cc1 774277024 DYMQUKAFEQNWHM-GOSISDBHSA-N 434.606 2.409 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 792092943 UCYUYJLVGOLNRC-AWEZNQCLSA-N 437.518 2.171 30 10 IEEE C[C@H]1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 805787941 DGYPOAGZBMQWPH-GWIFVGGISA-N 449.433 2.289 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812266962 HKFAQSPNOXUUEZ-OALUTQOASA-N 448.976 2.328 30 10 IEEE CCN(CCc1ccccn1)/C(=N/[C@H]1CCCC[C@@H]1N)Nc1ccc(S(N)(=O)=O)cc1 1088685259 XBBGHLFTSJGFLU-SFTDATJTSA-N 444.605 2.331 30 10 IEEE C#CCOc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1129016192 QRGLUZGOJLZQNT-UHFFFAOYSA-N 437.521 2.176 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)ccc1F 1133434344 QECVRWNACGMZMA-QGZVFWFLSA-N 440.537 2.386 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C)c(C#N)c2)o1 1133575172 PULORFPYHSJXAX-QGZVFWFLSA-N 445.497 2.106 30 10 IEEE C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1135006048 NSGLROVSJKNIND-CQSZACIVSA-N 429.502 2.100 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2C(=O)CCC2=O)s1 1136426029 IDKPHOZSWVFSHT-UHFFFAOYSA-N 447.538 2.043 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1136671698 PEYYYADPGTVSIS-RJCBAWPRSA-N 434.537 2.493 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1165327624 WLAIXXGCFLYBFK-RYRKJORJSA-N 440.500 2.390 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 1165508916 YPVAVODGHSQAAO-UHFFFAOYSA-N 440.587 2.269 30 10 IEEE N#Cc1cccc(C2(NC(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CCOCC2)c1 1167197693 YZONVDGOOUERQD-UHFFFAOYSA-N 437.880 2.434 30 10 IEEE CCOC(=O)c1nnn(C2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c1C(F)F 1170816077 UPDPKTWBCWZASX-UHFFFAOYSA-N 432.427 2.214 30 10 IEEE Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)c1C 1184820224 BSOWTFAYXSROSY-UHFFFAOYSA-N 426.542 2.315 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCN(C(=O)c4ccccc4)CC3)n2CC=C)C1 1256626821 NWAQYZVZLJWGMV-NRFANRHFSA-N 436.560 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCN(CC)CC1 1286299326 CMXKGJWYOYGEBM-NRFANRHFSA-N 448.619 2.392 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286557108 HDPPQVPDRDELLC-GGPKGHCWSA-N 439.626 2.223 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286557185 HMMRFXDGEUELAS-NQIIRXRSSA-N 425.533 2.490 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1286567094 USXPZXKMXVBXOL-CVDCTZTESA-N 439.560 2.379 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1286667309 QGJUDWDXJPCRBH-UHFFFAOYSA-N 430.940 2.400 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(C)c2)CC1 1286791260 WYHROXMUEXDXPP-UHFFFAOYSA-N 448.575 2.077 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(CO)CC1 1286815832 AXXCSMKKXUXZGY-UHFFFAOYSA-N 441.557 2.303 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286817090 PKQXTWLLICGMDJ-LJQANCHMSA-N 443.573 2.137 30 10 IEEE Cc1nnc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290730863 WQXLBPROEJEOOC-QAHCAUCSSA-N 449.559 2.071 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1 1297652232 BCHYZWGPHXBWFJ-QGZVFWFLSA-N 430.578 2.172 30 10 IEEE CCSCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297926119 HQEMBEWUEPXGHI-QGZVFWFLSA-N 444.609 2.165 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 1299714747 GRUDTZZJOJFXJL-FXAWDEMLSA-N 438.532 2.246 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CC)N1CCCC1 1300460137 NMNUBFNHAMTSAK-QGZVFWFLSA-N 429.594 2.182 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc(C)s1 1300509570 PIBNCKFLKLHZBA-UHFFFAOYSA-N 439.932 2.143 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300769856 KYNFWTTXHCLJCG-ZWKOTPCHSA-N 439.497 2.209 30 10 IEEE C=C(C)COCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1301001933 PZRXEXOXYPINJT-SELNLUPBSA-N 447.580 2.159 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1301223305 RAVCSHHCPWDCBZ-LJQANCHMSA-N 427.505 2.052 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301497408 VTZQMRNVHAAIAY-MRXNPFEDSA-N 435.532 2.224 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1301630952 UOOPGEOUPIFSEE-UHFFFAOYSA-N 448.531 2.287 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1302459267 DFBIDCSWPQHFTF-FXAWDEMLSA-N 443.573 2.381 30 10 IEEE CCC(O)(CC)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1305856367 BTYYEBNOJHHWFP-IXDOHACOSA-N 448.568 2.329 30 10 IEEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 1307388643 KIULSUWOOQXESZ-UHFFFAOYSA-N 441.509 2.369 30 10 IEEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCCC)c(C(C)(C)C)c2)CC1 1309229563 ZPATZLCVTLVXND-UHFFFAOYSA-N 449.617 2.219 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1314939300 KVBIOHCRMLFLIX-ZDUSSCGKSA-N 447.337 2.209 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1 1315112150 PRDJXCIDAUHSRH-CQSZACIVSA-N 443.508 2.080 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1315607899 DTHHZQRPMQOLLH-QZTJIDSGSA-N 427.505 2.126 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC(F)(F)CO2)CCO1 1316538770 AOQQQTIZVMUBPK-CHWSQXEVSA-N 425.386 2.300 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC(=C)C 1358987472 IBPXNGNFNZDKRG-UHFFFAOYSA-N 426.542 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCOC1 1358987634 NLBIVNZLLUCDGJ-GOSISDBHSA-N 426.542 2.238 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCS(C)(=O)=O 1359019387 UCCBSAMTHNPARA-UHFFFAOYSA-N 441.557 2.322 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccn(CC)c1=O 1359025045 BDPIHWYNKSFHMT-OAQYLSRUSA-N 449.511 2.107 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359055284 YZEDWHKNHWGXRJ-MRXNPFEDSA-N 431.566 2.148 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1 1359074349 ZRHOOALMRKNUBV-HSZRJFAPSA-N 441.507 2.237 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1359134769 GWDPIHYZAKAVBP-UHFFFAOYSA-N 442.564 2.322 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359148896 HNQWEKVABKEWRL-UHFFFAOYSA-N 438.923 2.222 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359215715 HYUZHSQQQDRIIH-SFTDATJTSA-N 438.576 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359295382 ZONHAZUSFFEGSJ-GDBMZVCRSA-N 444.536 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CCC)CC2)C1 1359324507 MFIJHQFULKZROA-HXUWFJFHSA-N 430.597 2.304 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1359475584 NFRVTDKLIJBACB-KRWDZBQOSA-N 433.516 2.385 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1444348928 GTPFSYCLFCEBPG-UHFFFAOYSA-N 445.516 2.416 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1447472140 GNYGFUNYOVCYNE-QRVDHSFSSA-N 447.413 2.133 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)Cc1cc(OC)ns1 1464534284 YTUVNYXIFWATHN-UHFFFAOYSA-N 429.564 2.316 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC=C(c2cnn(C)c2)C1 1469995627 FYDAHFQVSXVKHR-LJQANCHMSA-N 441.557 2.189 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 1472070567 FPUZSGMCNHGLNM-GOSISDBHSA-N 427.482 2.413 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1475181581 COUIDUYBDBTKBX-FQEVSTJZSA-N 430.551 2.214 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(C(=O)OC)nc1 1475196255 XKKRZNBJPGYPLN-LJQANCHMSA-N 432.498 2.219 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cs1 1492676500 HHXUGOBQWFAKTL-FQEVSTJZSA-N 443.577 2.046 30 10 IEEE CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1497353948 GTVWVRQNUFWIFZ-ZWKOTPCHSA-N 441.536 2.296 30 10 IEEE CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)O1 1497491063 IQBGEDXLXLMGIH-NQIIRXRSSA-N 429.546 2.399 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1503791976 FGQRXFPJSVZEFF-UHFFFAOYSA-N 428.447 2.419 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCCCO)CC2)c1 1505319732 IWNNKKGHAZHLDP-HXUWFJFHSA-N 439.564 2.318 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)F)c(F)c2)CCO1 1505321531 BWLQZUZFPWPKTH-ZDUSSCGKSA-N 431.378 2.253 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)Cc1ccccc1 1507515785 ZQPDYKAXDPZIES-QGZVFWFLSA-N 431.500 2.042 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1507622441 JIFNNMDUOWJRPF-QZTJIDSGSA-N 428.558 2.206 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1507634722 LUVLORDCEUZPBE-MRXNPFEDSA-N 430.521 2.267 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507635695 UOZRODHXUGFFDM-QGZVFWFLSA-N 433.603 2.451 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N(C)C 1507701768 ARSKRDLCDIPWKL-RXVVDRJESA-N 443.523 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1508142931 CRIWSCAIIIDSJW-APWZRJJASA-N 436.553 2.470 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1508161457 MBOIBIGKRYMFCZ-BBWFWOEESA-N 443.639 2.013 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1514254257 MYPDQKHSAAFWFV-RDTXWAMCSA-N 437.342 2.326 30 10 IEEE CN(C)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1516959119 FNCIYSKKGTYGFX-WOJBJXKFSA-N 438.532 2.100 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1517104928 BMOYREPRGVQLQL-OALUTQOASA-N 429.546 2.115 30 10 IEEE COC1(C(F)(F)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1517869173 DTWOVPBAVAEBCD-MRXNPFEDSA-N 448.474 2.208 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1533666284 YEGPYRRIYMPBAB-MRXNPFEDSA-N 435.299 2.485 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1534591056 WWSMHJXVWZEIQN-KRWDZBQOSA-N 435.546 2.329 30 10 IEEE COc1cc(N2C[C@@H](C(=O)N(C)[C@@H](C#N)C3(SC)CC3)CC2=O)cc(OC)c1OC 1536467447 OOLQHYCWYFJIRG-GUYCJALGSA-N 433.530 2.311 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)CC(C)(C)NC(=O)OCc3ccccc3)CC2)c1C#N 1538698000 GTMVJYZTLHCNSH-UHFFFAOYSA-N 438.532 2.344 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1538976179 JMQIYHHCHBYYBQ-HYBUGGRVSA-N 445.608 2.422 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCC[C@H]1C 1539190312 HOGPYWZDCOUTGA-PXDATVDWSA-N 436.604 2.263 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1nccs1 1539307525 USBXALUZAVDMNH-UHFFFAOYSA-N 443.540 2.473 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1539350140 BVXLONYUSSPMOC-PMERELPUSA-N 432.546 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CCC)C(=O)C1 1539627690 KXQIYTRKJDNQFG-XLIONFOSSA-N 425.537 2.165 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539783012 KYZNTTJSWWKRPK-HNNXBMFYSA-N 445.867 2.079 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540862898 LRJHOBFQZBPEME-FUHWJXTLSA-N 440.548 2.004 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCN(CCC)CC1 1540864901 OMXBIXCXQITSKA-UHFFFAOYSA-N 441.536 2.466 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(CCCOCC(F)(F)F)CC1 1542366703 XVZGCFKDLQVYIW-UHFFFAOYSA-N 429.487 2.459 30 10 IEEE Cc1cccc(OCc2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)c1 1542671290 CEJHIQYZSZKSCI-UHFFFAOYSA-N 436.516 2.447 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)cc2)CC1 1542770200 KZWHHTMXLHNWGL-WRALFONMSA-N 438.572 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cccc(CS(C)(=O)=O)c2)CC1 1546202299 ZIDZPBZMOVQJLZ-UHFFFAOYSA-N 434.558 2.498 30 10 IEEE CCCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)cc1 1547278161 DITMDLORFRBLSD-OFNKIYASSA-N 441.532 2.496 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCO[C@@H]2CCOC2)CCOC1 1547899807 DWTRDOVFOLUDQO-BVYCBKJFSA-N 433.553 2.256 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554157608 AXROLMFKVGKQTL-QQMHEVNUSA-N 440.479 2.084 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)CCO1 1554441551 GYYQRLFKSRERDS-KUHUBIRLSA-N 449.515 2.177 30 10 IEEE C=C1CN(C(=O)c2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)C1 1557456565 NYICUIWVRMUYIF-UHFFFAOYSA-N 438.509 2.297 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2sncc2Br)s1 1558500048 GUTOAFHKGSWHJB-UHFFFAOYSA-N 436.378 2.290 30 10 IEEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCC2(c3ccccc3)CCCC2)c1=O 1559415674 DAUDGSLQRTUULW-UHFFFAOYSA-N 434.540 2.180 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1564847343 LCIPHFBCYJDBON-UXHICEINSA-N 436.597 2.435 30 10 IEEE C=CCOC[C@H](NC(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC 1568154792 RNCXJCRAUVSTMJ-BSRJHKFKSA-N 432.517 2.472 30 10 IEEE N#Cc1cccc(ONC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 1587205439 STPNMUCDOGCVGG-UHFFFAOYSA-N 429.376 2.235 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1nnnn1CC1CC1 1587937323 JMFXQDAKGJJRHN-UHFFFAOYSA-N 433.339 2.283 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588040919 RWUUCRRELWOBGU-UYAOXDASSA-N 446.573 2.251 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1588134356 XCKFMXJZWAUDPK-IBGZPJMESA-N 437.548 2.431 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1588265798 HLYVSYMCLPORLY-SJORKVTESA-N 431.562 2.304 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1594824541 KQNNTJSWOXIORJ-HSZRJFAPSA-N 425.533 2.475 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595476877 OLUCGPLYHNXHLP-WZONZLPQSA-N 438.532 2.153 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1595705845 FQCVXKSNBAHLCB-RBUKOAKNSA-N 448.518 2.477 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cccn2)CC1 1596703522 SPLGTCRYOHFXCY-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)cs1 1612403291 QPWHZSBPNOWNDO-NRFANRHFSA-N 439.520 2.417 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1614224936 UZYHZFHPOMMPKX-BZWDDSEISA-N 436.516 2.475 30 10 IEEE C[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)c2ccc(Br)cc2C1=O 1617948203 ZLALWBGPSQWAFZ-LBPRGKRZSA-N 447.285 2.298 30 10 IEEE Cn1nncc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1618494825 ASQQVHLZOPJQHW-QGZVFWFLSA-N 430.314 2.343 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCOCC(F)F)cc1 1620351292 ZQRIEKNJKASIHI-LJQANCHMSA-N 446.502 2.399 30 10 IEEE CC#CC[C@@H](CO)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1622318066 HHBIVIOQXZUORF-RJGXRXQPSA-N 430.545 2.487 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)s1 1622703938 QOJMVSHHQJHDPA-SFHVURJKSA-N 433.599 2.488 30 10 IEEE CON(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1Cl 1624129917 ZIACROIXOHCKEM-UHFFFAOYSA-N 448.932 2.356 30 10 IEEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1634983847 KGSISKBUJKKVMU-DOPJRALCSA-N 441.509 2.419 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC12CN(C(=O)OC(C)(C)C)C2 1635919282 LLWNNNPKUNJUIG-SFHVURJKSA-N 442.516 2.106 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](C(F)F)CC3)nnc12 1638984092 XGWRDCISXNYOAQ-OAHLLOKOSA-N 449.483 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1 1642605848 BONQSLVHGMVOIV-GGAORHGYSA-N 444.507 2.441 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(Br)cc3o2)cc1 1643971317 AWPFFYBVOWMAJM-UHFFFAOYSA-N 449.286 2.057 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC(C(N)=O)C2)ccc1Cl 1644091860 KTLKAZZSJZBHKG-UHFFFAOYSA-N 433.917 2.279 30 10 IEEE CC1(C)CN(C(=O)CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCO1 1645177925 HIIXDDWUIWNRNK-GOSISDBHSA-N 435.366 2.269 30 10 IEEE Nc1c(I)cc(F)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1648005326 NRGXDJSAGRPOPB-UHFFFAOYSA-N 430.217 2.490 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)c1 1648528793 PAEKEIUWCHFALA-UHFFFAOYSA-N 447.586 2.229 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCC)[C@@H]3CCN(C)C3)nnc12 1648859704 MIXZJZAAWBXVMW-MRXNPFEDSA-N 440.573 2.265 30 10 IEEE C#CC1(O)CN(C(=O)CCN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2C)C1 1653281362 KBSTXRDVSDEWFC-UHFFFAOYSA-N 442.537 2.104 30 10 IEEE COc1ccc(NC(=O)CN2CCC[C@@H](CC#N)C2)cc1S(=O)(=O)N1CCCCC1 1654207658 AOHINAKONGCZOA-KRWDZBQOSA-N 434.562 2.434 30 10 IEEE C#CCC1(NCC(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)CCOCC1 1660223524 DWZNSAQIZFWPTI-UHFFFAOYSA-N 445.560 2.421 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cc1 1661556980 DOGMTMNWLVKQGU-SFHVURJKSA-N 449.573 2.242 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2)C(=O)OC 1664951357 KSDTVJJVVZSZGJ-CYBMUJFWSA-N 431.308 2.120 30 10 IEEE C=C1CCC(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 1665111180 IBWDEWNPYMKLMF-KRWDZBQOSA-N 441.575 2.020 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)NCc1ccc(C#N)cn1)OC2=O 1682910950 YQRZZDMXKANRNN-QGZVFWFLSA-N 443.504 2.085 30 10 IEEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1683440963 IKSZXSANRZMCQR-UHFFFAOYSA-N 442.541 2.262 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1689980022 KJFQZRQYOYEMLC-AEFFLSMTSA-N 446.573 2.484 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCOc2ccc3c(c2)OCO3)CC1 1690125834 OVJDCNWSIGYSMV-UHFFFAOYSA-N 425.533 2.430 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690155555 LJIFXEDFRQESSK-QGZVFWFLSA-N 436.545 2.367 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690285521 AXEHDVATWYTAFA-IRXDYDNUSA-N 430.578 2.377 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1690506261 HXWNIMIVTGDWBV-UHFFFAOYSA-N 442.593 2.358 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 1690567447 DASUNFKVRHXFNI-GOSISDBHSA-N 429.496 2.261 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C(C)(C)C)C1 1690711738 HMCRGLYGKNSORS-GOSISDBHSA-N 429.569 2.083 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1694790508 VWLZNSQONTYEAR-HXUWFJFHSA-N 434.500 2.300 30 10 IEEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1696512836 DJTRLUANMYNSNQ-FZYZMVIOSA-N 442.589 2.326 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)CCO1 1698494184 SSLHKHMSCSBOLS-WCQYABFASA-N 426.424 2.087 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC1(O)CCOCC1 1705591673 HFBKTGSPTNFINH-UHFFFAOYSA-N 446.349 2.430 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705600768 LOYJGFKOOXBJCK-UHFFFAOYSA-N 442.527 2.005 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705948229 MFFZMKUZYKCYMV-FQEVSTJZSA-N 448.618 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCOC2)C1 1706177551 HWWZXRKIHSVVQD-ZJPYXAASSA-N 446.552 2.204 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1706232220 XDTQBNJWSSBYSY-UHFFFAOYSA-N 428.562 2.444 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCN2CCOCC2)n1 1707827679 AHBNDYWQRJKVKP-QHCPKHFHSA-N 440.596 2.382 30 10 IEEE CC/C=C/Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709402717 LNHNFIXZTOLIAL-REMYHPOOSA-N 425.562 2.412 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1710745085 SGXLJZNZNJAOOD-ZACQAIPSSA-N 434.541 2.189 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCn1cc(CO)nn1 1722280289 RNXHEJOUGKNKQI-AWEZNQCLSA-N 444.337 2.340 30 10 IEEE C#CCCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722322735 PCCBQWQESYJTJQ-DEOSSOPVSA-N 441.576 2.088 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCn1cc(C)cn1 1722421019 FGDWYZXCMNTQST-UHFFFAOYSA-N 435.507 2.385 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722463214 YTIAPCUHBRWTAD-LJQANCHMSA-N 439.585 2.467 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1722657561 FYKGZYXROWZJPU-OAQYLSRUSA-N 438.576 2.269 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1722696673 SGZOQEBHIHBNIN-UHFFFAOYSA-N 441.580 2.061 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1722700895 YECNYZZSEBMCQP-FZMZJTMJSA-N 444.483 2.092 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722716701 WUHQZXGQEQDTNQ-HKUYNNGSSA-N 431.562 2.008 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(COC)CCCCC1 1730955588 KCLCBNQBBJKIRY-FHWLQOOXSA-N 433.553 2.328 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C(C)C 1740537961 AWUZSRKVRVNSEC-LPHOPBHVSA-N 433.578 2.324 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)Cc1ccccc1 1740658695 PJDYBHCSYWTXDU-NRFANRHFSA-N 432.572 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1740710246 SSIZTISKRKFALK-SVFBPWRDSA-N 442.608 2.216 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC(OC)CC1 1740723658 SEQLFKFPBAMZCZ-XMMPIXPASA-N 442.608 2.396 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740867413 JAMLRLYJNPBYQJ-UHFFFAOYSA-N 430.582 2.221 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(Cl)c1 1741904059 HPMRUDMLBGRFHZ-NWDGAFQWSA-N 428.921 2.467 30 10 IEEE Cc1ccccc1-c1nnc(N(C)Cc2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1742383353 VWYMBMXRBBCDFK-LSDHQDQOSA-N 446.515 2.150 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)c1 1748577930 ARDSXTQQDGIXOQ-FQEVSTJZSA-N 437.504 2.057 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1748732328 YMAFWQPSHDBRIJ-MAUKXSAKSA-N 435.525 2.019 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1748739147 XMOQOGGNUMPNGY-UHFFFAOYSA-N 442.951 2.482 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1748739585 CVPPTKLDAVZEBP-QFIPXVFZSA-N 444.557 2.391 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748811169 CTMJHCXUCWQVJV-GOSISDBHSA-N 439.541 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1748890672 SWVXSXZMIQWNOB-NFBKMPQASA-N 443.617 2.191 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749123635 GZMQBYKERJZQEN-DYESRHJHSA-N 441.532 2.270 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1749499603 XUYIYYCLRFHRRM-UHFFFAOYSA-N 428.512 2.047 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1749607643 GURLWUWGACDYEV-VXKWHMMOSA-N 439.495 2.360 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@@H]2C)C1 1749694913 XQINEOWYKBQVBT-OKZBNKHCSA-N 426.521 2.379 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1749707148 AOVFXXQKZZPZAJ-MRXNPFEDSA-N 437.591 2.285 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1749858374 GZEPPONAACHWQS-CYFREDJKSA-N 447.543 2.442 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c1C 1751326288 RJDMPMRAHWZTIS-RTBURBONSA-N 429.521 2.163 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760134999 FLBUAEOKODRYRV-UHFFFAOYSA-N 435.576 2.196 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1760162025 WCFBVJMXRDWCKS-NJDAHSKKSA-N 442.608 2.360 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)nc1 1760178701 XQWDABMIJGTAOX-UHFFFAOYSA-N 436.491 2.346 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COCc1ccccc1 1760205537 DGJSCAXNWOXVSS-PZJWPPBQSA-N 440.569 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1760220512 MGUNIFDSJXPJOC-HXUWFJFHSA-N 429.528 2.127 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2ccccc21 1760248898 FOVKBJDPJUFTHG-PMACEKPBSA-N 442.585 2.386 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)C2CC2)CC1 1760263848 RGYYQJRSXMVDDK-HSZRJFAPSA-N 441.601 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1760269087 XPRMYRVUBWWIRA-LJQANCHMSA-N 437.592 2.359 30 10 IEEE C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1761425935 DSMOVMXZNITZOL-IKGGRYGDSA-N 433.557 2.029 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCSC1(C)C 1761477379 CTKQGDXUXDGNBT-ZFWWWQNUSA-N 426.612 2.160 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCCO1 1763179494 WCMSYWLDIRWZNT-YLJYHZDGSA-N 427.505 2.149 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)CC1 1767822703 DVVYZWDARMBOEF-UHFFFAOYSA-N 448.556 2.443 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccoc1 1770043019 SOYPEQKVFAMJSQ-QGZVFWFLSA-N 437.504 2.237 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1770412195 FZQOIRYWRAYCJX-MOPGFXCFSA-N 440.548 2.039 30 10 IEEE COCCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770969674 GGZBZHAEIHYXAT-IBGZPJMESA-N 439.564 2.438 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1772566972 BEJANJVSOHYAEI-GOSISDBHSA-N 440.548 2.226 30 10 IEEE CCc1cccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(CC#N)cn4)CC3)nn2)c1 1851600933 OPIAUFRHMVNJCJ-UHFFFAOYSA-N 443.511 2.325 30 10 IEEE CCOc1nc2ccccc2nc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1853218625 CAQMPSAHHSWEHF-UHFFFAOYSA-N 432.484 2.274 30 10 IEEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H](C)Cc1nc(-c2ccccc2)no1 1853539740 KKWMFQPEPGMQHV-AEFFLSMTSA-N 434.500 2.469 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853952669 FQJMHCCALSPONZ-AWEZNQCLSA-N 447.900 2.039 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H](C)n2cccn2)CC1 1855572726 LBQDTKJERAJIGX-INIZCTEOSA-N 428.514 2.291 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1861502961 JTIZEUQSDMAISC-OAQYLSRUSA-N 449.507 2.288 30 10 IEEE COc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1N1CCN(C)CC1 1867224188 JJVSHGCPRFGCPE-UHFFFAOYSA-N 435.528 2.466 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2)cn1CCCO 1870738777 VHNTVSJQJUTZCR-UHFFFAOYSA-N 441.528 2.431 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(OC(C)C)n3)CC2)CC1 1890068387 OLAGRUGKZQLEME-UHFFFAOYSA-N 428.577 2.131 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2010402991 YNEKSKXNBBGQRW-INIZCTEOSA-N 425.379 2.382 30 10 IEEE NC(=O)CN1C(=O)c2ccccc2C1=NO[C@H]1CCCN(c2ccccc2Cl)C1=O 2079493814 GYJOBYLNDBHGSK-KRWDZBQOSA-N 426.860 2.155 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659851 NLWYMURDMNGIHB-UHFFFAOYSA-N 429.286 2.125 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@@H]4OCCO[C@@H]4C3)c(Br)c2)OC1(C)C 2172786685 VEFQGVNOWZSPGN-LSDHHAIUSA-N 425.132 2.137 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccnc(C#N)c1 2195272591 YXUQEWSYJOCBDW-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CCO 2255374674 QZXODVPIUFBGNS-MRXNPFEDSA-N 433.358 2.189 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603097 AWEYETDIPLQWJQ-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632670 PRIHEBHTYMYMQT-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255814177 YNVRXQLALCDPPS-HZSPNIEDSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255870289 JXMCCGQYVBKIMU-UHFFFAOYSA-N 435.305 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2256629844 ZRLFCJLHZRRXSR-UHFFFAOYSA-N 432.326 2.296 30 10 IEEE Cc1cnc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2267118330 JQNUUTOYLGZALQ-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267133498 CNVLZGCVBPUSBS-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267135805 GONTYWTVMVGPOL-LSDHHAIUSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2267146969 QTWGFTGXFUMKCM-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267217823 MPNDILNMKUCVKZ-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE CC(C)C[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267275866 UCASXYSGWXHEMZ-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267522135 SPPMCQZUQWOCLA-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267548901 IVKJXSOKHOBAFO-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C1COC1 2268651180 VAINOENKKOQABC-GOSISDBHSA-N 446.353 2.142 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CO1 2268654708 CPZWLWCWWLFXAG-HUUCEWRRSA-N 447.341 2.344 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268712848 UTFURTCITJFGGJ-GOEBONIOSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H]1CCOC1 2272569878 UQWWKQPMAUKUID-INIZCTEOSA-N 447.341 2.345 30 10 IEEE COC[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C=CCN1C(=O)OC(C)(C)C 2314775252 IVLQFQJCRNXEOB-YKSBVNFPSA-N 440.544 2.415 30 10 IEEE O=C1C[C@H](c2nnc(SCCO)n2N=Cc2ccccc2O)CN1Cc1ccccc1 2325924718 WBUNLAKRBUJYGA-SFHVURJKSA-N 437.525 2.466 30 10 IEEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)c1OC 2329898726 JFXFGFYYWZSLPJ-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1 2330785528 ARBIQOOYQPYSAH-UHFFFAOYSA-N 433.534 2.486 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)n1C 2337327607 HMJBHFGAIRMDNV-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE COc1ccc(Br)cc1C(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O 9696114 ZHINTIHNUBHZNU-UHFFFAOYSA-N 435.303 2.366 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)cc2C1=O 11586574 CKYBRRCPRBIVRG-UHFFFAOYSA-N 446.507 2.302 30 10 IEEE C[C@@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 26601345 PVWMKGBVJMRUFU-GFCCVEGCSA-N 436.493 2.468 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2C1=O 29844492 QYVQECBOJFKNFC-GOSISDBHSA-N 425.510 2.333 30 10 IEEE C[C@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)n1cnc(C#N)n1 410009428 JTHBZZTWENPQEN-PELKAZGASA-N 432.200 2.342 30 10 IEEE CN1CCN(C(=O)CC2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)CC1 429983251 GXRWQCXAWKJVDM-UHFFFAOYSA-N 448.571 2.480 30 10 IEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cc1Cl 476577507 IQUKJJNJHYDFLE-NVXWUHKLSA-N 425.876 2.203 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1C#N 489517587 DWZACVIBWZLVFQ-KRWDZBQOSA-N 436.440 2.337 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 490861236 VATAYKVXVQETSB-SFHVURJKSA-N 442.882 2.383 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(C)c(OC)c4)CC3)cc2C1=O 502548465 VESKOMFYRSXOSZ-UHFFFAOYSA-N 447.491 2.384 30 10 IEEE COc1ccc(CN2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)c(OC)c1OC 520172951 WREOWOVUJRBDED-UHFFFAOYSA-N 438.528 2.018 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccc2)c1=O 533120356 JXVWQOVNVVHURR-UHFFFAOYSA-N 432.549 2.241 30 10 IEEE CCO[C@H]1C[C@@](NS(=O)(=O)c2cccc(Br)c2C#N)(C(=O)OC)C1(C)C 553866774 PNYBFOFLVJWQPK-WMLDXEAASA-N 445.335 2.346 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCO2)CC1 555459668 WAHSHIYWHFQOPI-NRFANRHFSA-N 444.543 2.426 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccc(Br)c1Cl 560029021 XTGAYVKLHCTKSA-UHFFFAOYSA-N 436.759 2.339 30 10 IEEE COC(C)(C)c1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 563655592 IAKKNRMRHDMGPH-UHFFFAOYSA-N 448.570 2.351 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 603460364 DAFNFFZUYSWTDX-RKDDFOCISA-N 440.544 2.492 30 10 IEEE CSc1nc(O)c(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1C#N 609321306 CJEUIPSCJJFZLE-UHFFFAOYSA-N 429.483 2.222 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 614903123 VZTALNXSAIUMSD-SFHVURJKSA-N 426.538 2.216 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)ccc1F 732790800 WPTKHKBPZRVZAB-GOSISDBHSA-N 449.479 2.307 30 10 IEEE CCn1nc(C(=O)[C@@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 735770062 PWOLUBZFEOKGIB-QGZVFWFLSA-N 448.479 2.115 30 10 IEEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 735771243 FGACSSAALLIOHE-IBGZPJMESA-N 443.481 2.353 30 10 IEEE CCc1c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)[nH]c(C)c1C(N)=O 748380885 BIJVJJHDGAZUNF-AWEZNQCLSA-N 426.473 2.485 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@H](C#N)C1 754379042 KPEIIGRJUJZQIU-MRXNPFEDSA-N 428.489 2.164 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 758170808 QZRDOQYSZXVMQU-LJQANCHMSA-N 437.562 2.346 30 10 IEEE C[C@H](CC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 766161809 OWJUJYQUCOYSDI-HUUCEWRRSA-N 435.546 2.084 30 10 IEEE Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767635061 GEHDEEBHNSHKJM-AWEZNQCLSA-N 425.466 2.441 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 782523694 DDVZWKRUYBRFQA-UHFFFAOYSA-N 440.872 2.075 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H](C)c2ccncc2OC)C1=O 783508357 QDWNCPKNQZXBTD-QVOOWDNMSA-N 427.530 2.225 30 10 IEEE CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OCC#N)c2)cc1 785438425 GOPLFFYDMVECGU-UHFFFAOYSA-N 428.875 2.225 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)s1 788054708 QZOOLOOUEPITQO-QGZVFWFLSA-N 448.570 2.045 30 10 IEEE COC(=O)c1cccc(CS(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 789572930 WREJGOYYNRIWKT-IBGZPJMESA-N 430.482 2.394 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)n(C)n1 790012641 UQMSBILKCURKPA-GOSISDBHSA-N 446.552 2.067 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)n1 790118149 PXAGMAPUTNMIJO-UHFFFAOYSA-N 429.477 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NS(=O)(=O)c3cncc(C#N)c3)CC2)CC1 812530485 MSDVWQABRLALSG-UHFFFAOYSA-N 449.577 2.095 30 10 IEEE CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)ccn1 856652474 UPNYRMCXMXZTOM-JOCHJYFZSA-N 435.528 2.203 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1 1084031409 BROUEWSNFJSOOD-UHFFFAOYSA-N 448.940 2.441 30 10 IEEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)ncc1C(N)=O 1125305735 DCNNAVDDGTXHLU-NCELDCMTSA-N 443.529 2.334 30 10 IEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1134283708 VIGZECCHILKXKE-FQEVSTJZSA-N 436.512 2.075 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 1136955681 MJDZVSXSPWJPHA-MRXNPFEDSA-N 429.473 2.158 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1138157192 DQKWUAKSLXQEJA-KRWDZBQOSA-N 428.468 2.373 30 10 IEEE C#Cc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cc1 1141042928 JEESVTKMQCQYHN-JOCHJYFZSA-N 442.537 2.449 30 10 IEEE C=C(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1 1154676824 ZIVJGIIKFKLKIM-RXVVDRJESA-N 433.430 2.440 30 10 IEEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)cc1 1167391264 GASCMOQUZHXEEJ-SIKLNZKXSA-N 437.540 2.472 30 10 IEEE CO[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1197325876 LHDANHKCHBLKAA-MJGOQNOKSA-N 428.430 2.188 30 10 IEEE C#C[C@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 1226633741 XAHJOVWHTVSWBD-SFHVURJKSA-N 435.366 2.365 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1252136904 UEUPWBRTMMDYLQ-GOSISDBHSA-N 440.525 2.015 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1286275058 QLHQGGWTQQBYCA-JKSUJKDBSA-N 433.578 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCC1 1286277367 YFSLPYGTDRRPHO-INIZCTEOSA-N 429.594 2.100 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC2(O)CCOCC2)c1 1286308694 CABKRENHWPLVPJ-UHFFFAOYSA-N 448.527 2.261 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286340895 ABBRFRMPZRHEAN-SJORKVTESA-N 449.552 2.489 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC[C@@H]1CC 1286404649 VFJLDAZQMCKMMC-NRFANRHFSA-N 443.559 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CC(C)(C)C2)CC1 1286488737 SDWYITLVXAVQIO-QGZVFWFLSA-N 431.581 2.404 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)C1 1286798257 ISUGKPILJZDKQX-GOSISDBHSA-N 425.537 2.193 30 10 IEEE CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1286934551 HZLRCWIUCBRGQC-UHFFFAOYSA-N 436.520 2.005 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OCC 1287775358 AIUUPDJAVYLJEH-LBPRGKRZSA-N 443.934 2.102 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(F)F)cs1 1290432339 MQSDAMCEENKVSO-INIZCTEOSA-N 437.520 2.440 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@]2(C#N)CCCOC2)C1 1295136654 NGHSQHYQSWHNPD-PNCHPQGNSA-N 448.564 2.061 30 10 IEEE C[C@H]1CCCN(c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2Cl)C1 1297010112 MVEOCZCVBNVKRL-AWEZNQCLSA-N 429.908 2.417 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1297868734 JSHOBMGGHFWGCF-QGZVFWFLSA-N 430.306 2.018 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C(C)C)N1CCOCC1 1300520846 PLRJVXFALGUTFP-IBGZPJMESA-N 426.952 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cnn(Cc2ccccc2)c1 1300553381 GLZVUHGUQRHPDH-UHFFFAOYSA-N 429.528 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1300579077 RNVZHDDMQLEFRZ-LJQANCHMSA-N 445.564 2.212 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1300709014 ZUDHOHXBWMCYIB-DVECYGJZSA-N 434.544 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)nc2)CC1 1300718516 QYZCFHUTNQYVMI-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300723456 UFUXIDHDLMZVKQ-UYAOXDASSA-N 436.560 2.165 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300916279 VZPGQYGAEJRWMW-HZPDHXFCSA-N 449.543 2.467 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1ccc(C)cc1 1301999581 GVCQGMRTMRBWQB-SFHVURJKSA-N 440.548 2.481 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)CC1 1303941581 DFTPUUXNAONZCQ-QZTJIDSGSA-N 448.593 2.097 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1315262473 DAYGTXHGKHCTJK-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1316290623 NXUMUMWPDXINRV-NVJIOZQYSA-N 444.580 2.391 30 10 IEEE CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316457393 AVQPHJMAUJYGOW-UHFFFAOYSA-N 442.593 2.153 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2cc(C)on2)CC1 1359106029 WUGPYDPMYCFWNW-GHTZIAJQSA-N 430.553 2.414 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1359262733 CGKPGNBLTUUSCK-OAHLLOKOSA-N 435.575 2.061 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCOCC1 1359470560 AHSNAWYDDLLUQQ-IBGZPJMESA-N 434.548 2.449 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1360471153 CESNMWFFMUMZTN-KRWDZBQOSA-N 433.516 2.481 30 10 IEEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1360535551 FGZKMURLJVNBMZ-IERDGZPVSA-N 430.578 2.429 30 10 IEEE Cc1cn2c(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c(C)nc2s1 1450143075 JUENQCQCMVJKLK-INIZCTEOSA-N 436.497 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 1451372454 RITYXXALWDUHHL-UHFFFAOYSA-N 439.559 2.203 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@@H](C)[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1452145488 DESZWJZYBOAMDM-IKGGRYGDSA-N 449.573 2.457 30 10 IEEE C#CCN(CC(=O)NCCCN1CCN(c2cccc(C)c2)CC1)C(=O)OC(C)(C)C 1463869559 ALISTMHKZDOZFM-UHFFFAOYSA-N 428.577 2.494 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)C1 1472219654 WYQLNZHGGWINJK-OYRHEFFESA-N 448.361 2.131 30 10 IEEE C#C[C@H](NC(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)C1CCOCC1 1479008959 YLNUCBJQYYPJSF-QFIPXVFZSA-N 427.545 2.300 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1505037718 HJCVQAUZTHALFR-IBGZPJMESA-N 435.532 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1507539110 RFBQLGHRPBQKLR-AZUAARDMSA-N 435.638 2.396 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1507554824 ZCKIHCPMPGMEAR-UHFFFAOYSA-N 429.546 2.186 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507629963 RXXQGIBWYBPMNC-SFHVURJKSA-N 445.564 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CCC)C1 1507644157 BASGSCKRNLWBPZ-IBGZPJMESA-N 439.585 2.153 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccn(C)n1 1507702924 OVWKWQQWVWACEA-UHFFFAOYSA-N 435.532 2.209 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCC)CC1 1507756422 NKQBUJYXHDRIAF-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1507821377 ZUEGLLGLLIOJBC-KSZLIROESA-N 425.599 2.450 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC1 1507876326 CARZPPHJWFOEOO-UHFFFAOYSA-N 432.550 2.295 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)C1 1508125473 RIHVMIXKRBHVIA-HUUCEWRRSA-N 436.438 2.473 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NC2CCCCC2)CCOC1 1509810869 ZRKAGHHDNNCVHG-YADHBBJMSA-N 448.543 2.210 30 10 IEEE CCOC(=O)c1c(NC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)c(C#N)cn1CCOC 1515222800 UQQXZSWPSABHNM-ALCCZGGFSA-N 438.440 2.166 30 10 IEEE CC[S@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1516852669 CYDBVQOVJGEOHW-YDBLSZJJSA-N 427.372 2.411 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCOC1 1517042722 NWCSOHFXNJHPQC-MOPGFXCFSA-N 446.502 2.398 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519065076 DMNVVJGIXXMRHY-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE N#Cc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)o1 1521094141 AMFBYZDNGWYQBL-UHFFFAOYSA-N 431.905 2.270 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCCCCO)CC2)nc1 1521094236 CEPYRZXRDCCANU-LJQANCHMSA-N 425.537 2.276 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1539162177 OGRLLLHMQAJREI-QFIPXVFZSA-N 432.488 2.108 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2nccs2)CC1 1539481238 JBCJXKQYKNCOGG-KRWDZBQOSA-N 428.562 2.185 30 10 IEEE N#Cc1c(NC(=O)c2cc(Br)cnc2Br)nc2n1CCOC2 1539553785 RDCPFMRRWYUTQV-UHFFFAOYSA-N 427.056 2.457 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1539926809 XBNGNLWMHUOVIJ-UHFFFAOYSA-N 436.564 2.398 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1540187719 VJVCIPIPFRFROF-OAHLLOKOSA-N 448.574 2.217 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)CN1CCCCC1 1546532197 CLJXJNMSMYEVHN-OALUTQOASA-N 437.596 2.339 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)cc1 1554887415 GVVWCUBRETVDIA-MRXNPFEDSA-N 431.562 2.245 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555270449 RLNPTGOGAXFLPG-GOSISDBHSA-N 433.447 2.336 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1556163048 OCDFWJSRSQAULS-UHFFFAOYSA-N 435.509 2.353 30 10 IEEE Cc1nc(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)[nH]c1C 1558398401 BLTALCAJOVFSNR-UHFFFAOYSA-N 429.546 2.251 30 10 IEEE N#C[C@@]12CN(C(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1558511524 UIJISXORODEIEK-WPYKKVEZSA-N 440.521 2.086 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)C1=O 1563131850 ZSYSMMPDOAYKNQ-CYBMUJFWSA-N 442.335 2.030 30 10 IEEE Cc1nsc(N2CCN(C(=O)NC[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1565232186 HPYVEPUKNCWZSG-AWEZNQCLSA-N 447.586 2.362 30 10 IEEE C#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1)c1ccc(Br)cc1 1584709147 XZPRKWGGFUSKKX-MAUKXSAKSA-N 445.317 2.136 30 10 IEEE Cc1c(C(=O)N2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)cnn1CCC#N 1585232594 PINXFVICZHPAAB-JOCHJYFZSA-N 439.520 2.363 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1587640270 QNDVSXLABHBNPT-AEFFLSMTSA-N 433.553 2.471 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1587759486 VFXBITFKSRWPDQ-LJQANCHMSA-N 435.507 2.370 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCC[C@H]1CO 1587926787 IDGNHWVRTLJKJP-INIZCTEOSA-N 435.370 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589496559 YKCDIADKSSZICL-BDXSIMOUSA-N 425.599 2.291 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OC)C1 1593704209 QXPVLHLJNNETKX-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCN(CC)CC2)CC1 1594168438 NGZHRHBQQANRKT-UHFFFAOYSA-N 431.629 2.236 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1594943529 RZDQRVJHFJVKOD-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595555865 JVIMKYYKWUQYPW-DVECYGJZSA-N 439.560 2.254 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(F)cc2)N(C)[C@H]1C 1613902923 ZHPKDOHLHNPQCH-GFJQZHSVSA-N 430.523 2.261 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1619544047 DMWOBZKLILGHOS-HMXCVIKNSA-N 441.532 2.395 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1620002160 OLXOTUMBKWIAST-VGOFRKELSA-N 428.537 2.188 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)NC2CC2)C1 1620346268 WOPYKEUNTZPVPU-HXUWFJFHSA-N 427.440 2.354 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1620356251 VDVLGBYLSFISCA-IRXDYDNUSA-N 442.486 2.175 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(C(=O)OC)c1Br 1622324948 GIZXAABZTGLGIK-UHFFFAOYSA-N 446.319 2.201 30 10 IEEE CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)cn1 1624873369 PZZVLUYYMPKOJJ-UHFFFAOYSA-N 449.488 2.428 30 10 IEEE N#CCc1ccsc1C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1626081427 KYSRFGOGHXDULC-UHFFFAOYSA-N 447.538 2.122 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1 1627181690 FNRIBCMDRDGBSN-SJLPKXTDSA-N 445.564 2.007 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc3ccc(Br)cn23)c1 1627844662 KSVLKZFFEWPFSC-UHFFFAOYSA-N 436.291 2.208 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3c(O)ncnc3c2)cc1 1630385834 FZXYIPJGBOKIGV-HKOYGPOVSA-N 425.470 2.401 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1632484352 HTQUCYBALZILQG-GOSISDBHSA-N 435.546 2.321 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)CC1 1632960337 FGRPLOCOTRCKMM-UHFFFAOYSA-N 444.991 2.059 30 10 IEEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1cccc(NS(=O)(=O)C(F)(F)F)c1 1633151508 YNZJXXUTIIBBND-QMMMGPOBSA-N 430.273 2.236 30 10 IEEE C=CCNc1ncc(C(=O)N[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)s1 1634151903 VLQMWCURXWRILG-LJQANCHMSA-N 437.543 2.353 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1634566018 XOJMUJCGTJCYNT-SFHVURJKSA-N 448.951 2.144 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](CC(C)C)OC)nnc12 1638805899 KOMHGDIEIIHWLW-OAHLLOKOSA-N 429.546 2.500 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 1639963098 TWANWGGPCNWHRL-QZTJIDSGSA-N 433.555 2.355 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1C(=O)OC(C)(C)C 1641712770 TYSYIHYBZBLFSV-OAHLLOKOSA-N 443.525 2.497 30 10 IEEE C=CCCn1cc(C(=O)N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)nn1 1641926867 HXKHPEKJAMPHET-NRFANRHFSA-N 427.509 2.112 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 1643121497 CSXITMXZKTUQAD-UHFFFAOYSA-N 439.537 2.404 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 1655574945 CQDMRIYTQKUXSK-ZDUSSCGKSA-N 449.451 2.491 30 10 IEEE C[C@H](NC(=O)CNC(=O)CNC1(c2ccc(C#N)cc2)CCOCC1)c1ccc(F)cc1 1659750878 NORCOJCBVNCOOC-KRWDZBQOSA-N 438.503 2.286 30 10 IEEE COc1cc(NC(=O)N2CCN(c3ccsc3C#N)CC2)ccc1S(=O)(=O)N(C)C 1660011843 ABGVUVIRIMEMPG-UHFFFAOYSA-N 449.558 2.233 30 10 IEEE N#Cc1ccc(C2(NC(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)CCC2)cc1 1672116405 JATLHTUIBHDLNO-UHFFFAOYSA-N 434.468 2.493 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)c1ccc(F)cc1 1682345549 WYKQAKKJKKJKHQ-GOSISDBHSA-N 437.443 2.494 30 10 IEEE C=CCn1cc(CNC(=O)N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)nn1 1683482836 CYXVBIROWZCLEJ-UHFFFAOYSA-N 427.553 2.291 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(F)c(F)c2)CC1 1690120403 TYZYUJVUYJFFCC-UHFFFAOYSA-N 426.471 2.396 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690230805 QYYJCFMEICGSIR-CVEARBPZSA-N 431.338 2.135 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690347471 GFSHLTKWNWIAMF-UHFFFAOYSA-N 446.983 2.277 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)CC1 1690663551 ZRUPFQKBPJBXJK-INIZCTEOSA-N 431.562 2.277 30 10 IEEE CO[C@@H](Cc1ccccc1)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697127760 FBWZKEYRNJWFCE-PXNSSMCTSA-N 432.532 2.221 30 10 IEEE COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1697447070 FJKZTKAHGFTNPV-QGZVFWFLSA-N 436.472 2.143 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705537958 WOBZUKDZGFSQLQ-DENIHFKCSA-N 439.560 2.436 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705559654 AGNQEPMEWPWMNF-VXKWHMMOSA-N 441.601 2.359 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1705861391 DRKCJYKNRVJGSK-OALUTQOASA-N 443.573 2.389 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCCCO2 1705879593 FDCDZUDVIICMAJ-UHFFFAOYSA-N 429.521 2.265 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1705900429 DBGMOCOCQKWMMI-QGZVFWFLSA-N 435.532 2.081 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1705924839 GLCXEZCEVDNNIL-RBUKOAKNSA-N 443.523 2.441 30 10 IEEE CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1706055678 UFOGOYPKKCNHGP-UHFFFAOYSA-N 447.543 2.206 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1706070864 PYYWOEZLSAMHNQ-BQOWYSNXSA-N 440.895 2.116 30 10 IEEE CCn1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)cn1 1710183724 FRKCKSPEUPDSMJ-HNNXBMFYSA-N 445.325 2.040 30 10 IEEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1712619179 QVGAVOBVPFNGGW-FQEVSTJZSA-N 436.516 2.058 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCc2cnn(C)n2)c1 1722308650 CNIOPDGWTGJXEC-UHFFFAOYSA-N 432.532 2.363 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722362351 NIKUQIQIEAHKGF-HXUWFJFHSA-N 428.558 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1conc1COC 1722392310 KGOWQMVYLKXLCS-UHFFFAOYSA-N 433.468 2.362 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccccc1C1OCCO1 1722425658 HOHUOKKGIPJJER-UHFFFAOYSA-N 433.512 2.444 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(F)cn2)CC1 1722441348 QBIGPHUKEWTWAM-UHFFFAOYSA-N 434.519 2.410 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(CCNC(C)=O)Cc1ccsc1 1722554101 FORVXEJQIWWIIJ-UHFFFAOYSA-N 436.969 2.357 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722579459 DXVYKHOBOQDYQI-KRWDZBQOSA-N 436.969 2.021 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1722700283 DJCYFYOYWLULQS-OAQYLSRUSA-N 432.528 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2(C)C)C1 1722719511 VJMKLMQILSTJNN-IXDOHACOSA-N 440.635 2.493 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1724009256 DATUEKVELCINEW-QFIPXVFZSA-N 440.523 2.420 30 10 IEEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1726626310 BRYDIZJQHUPMSZ-SJORKVTESA-N 438.532 2.246 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1729153889 PEDGXFFWYSZLIL-MRXNPFEDSA-N 436.438 2.358 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(F)CCC2)CC1 1729313400 TYZGUAMYQHEZRX-UHFFFAOYSA-N 439.539 2.309 30 10 IEEE COC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1729810474 UZVDWUMXFOUNKN-GOSISDBHSA-N 425.537 2.190 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1740609003 GFSICDSTKCMOML-FUHWJXTLSA-N 446.573 2.146 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740622204 WBOFACYWJMKSQI-GOSISDBHSA-N 445.589 2.117 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc3c[nH]nc3c2)CC1 1740690427 UMSUZOOGFQISCU-UHFFFAOYSA-N 448.575 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C2CC2)N(C)C)CC1 1740708434 PNFRJYHIEWTGJU-OAQYLSRUSA-N 426.609 2.317 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1740787695 HHVCJZKKFBSOHW-QGZVFWFLSA-N 449.577 2.013 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740852411 NBODXXBOMUDTEB-KRWDZBQOSA-N 425.599 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCSC2(CCOCC2)C1 1740986936 LFSSZFCTOWNAJZ-MRXNPFEDSA-N 428.624 2.495 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1741686484 GOJPAHLBJRNGKL-IBGZPJMESA-N 432.532 2.459 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCc2ccccc2)CCOC1 1741731077 FYKJFBJNKJOIOB-REWPJTCUSA-N 441.532 2.264 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1741971077 JAGOVEKGWQDJCX-FRFSOERESA-N 430.896 2.079 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 1746467184 BACLOVMCIIKTQQ-NRFANRHFSA-N 437.592 2.317 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](CC(C)C)N(C)C 1747131622 YIZXJBDUBDIHNK-GOSISDBHSA-N 427.553 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1748670818 CIXANUZXPFPAIR-ZIAGYGMSSA-N 425.605 2.277 30 10 IEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748820367 AKNWBQKDLKOISA-OALUTQOASA-N 446.573 2.136 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1748927429 OQFHURJBFQLVRQ-OAHLLOKOSA-N 434.342 2.128 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1748984454 NEXZYRMMSVUWGK-UHFFFAOYSA-N 440.548 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@@H](C)C2)CC1 1749020079 KOVJDYHMXYRBDY-QCFAMHMHSA-N 443.592 2.404 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1 1749037526 GDIZLDLUQUZUJI-QGZVFWFLSA-N 430.553 2.399 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749118612 HHRHRZLDGXPFBD-ZWKOTPCHSA-N 425.599 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749132909 FSJIDYJDQCUYCF-QTEQDKRBSA-N 444.624 2.345 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC1CC1 1749152634 BGLWBMJVWGXGQY-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749199631 VGSXKOHLTCCOGM-UHFFFAOYSA-N 428.581 2.452 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1749235407 QKSMOJKVMFUIPX-OAQYLSRUSA-N 441.576 2.185 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1750504667 HUQVDZGKNLYGNL-SFHVURJKSA-N 437.504 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1760109550 ZVRPVZSGCVWCQQ-MRXNPFEDSA-N 426.546 2.040 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760137435 JVJYLWKIARKOAS-MRXNPFEDSA-N 429.550 2.292 30 10 IEEE C#CCN(c1nnc(CC)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760186748 QPHKLLQQLYNYHO-ZCNNSNEGSA-N 435.638 2.225 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1760187372 JIFAQEPYYDPNKN-HNNXBMFYSA-N 438.504 2.202 30 10 IEEE C#CCN(c1nnc(CC)n1CC1(c2ccc(F)cc2F)CC1)[C@@H]1CCS(=O)(=O)C1 1760188017 YWSCKHLIRZRYQF-MRXNPFEDSA-N 434.512 2.477 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1760277489 MERZDZZOHXBMMB-INIZCTEOSA-N 429.546 2.044 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1760358981 DDSNBTIEFONPKU-UHFFFAOYSA-N 439.607 2.240 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2n[nH]c(C)n2)C1 1760536313 GTGHMQCISNCPGD-AWEZNQCLSA-N 447.341 2.486 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CCOCC1 1760690045 JNOMJAVIUGDJRK-DLBZAZTESA-N 427.509 2.417 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(N(C)C)CCSC1 1761020217 ATNGOIGSVZEJFN-JOCHJYFZSA-N 441.605 2.449 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1761828242 BCQWXKPMZYCGLS-NRFANRHFSA-N 447.536 2.432 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCS1 1763177018 GNPRFLBOXQYHDR-BTYIYWSLSA-N 426.546 2.149 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCNC(=O)C1CCC1 1765351939 HAVQMUINYVGPMB-UHFFFAOYSA-N 447.547 2.219 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1766823699 HNLFCQWHLCGWPA-LJQANCHMSA-N 428.562 2.301 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1cccs1)N1CCOCC1 1767841304 DVODHTOJQVABPP-OXQOHEQNSA-N 434.541 2.392 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCO)C1CCC2(CC1)OCCO2 1768543395 FGGMYFAWEZOYKI-UHFFFAOYSA-N 441.532 2.338 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1769443683 VWLIHTXGPHRPHF-WBVHZDCISA-N 447.442 2.152 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cccs1 1771179136 OHTCPVQEKOFWGG-OAHLLOKOSA-N 432.550 2.234 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)ON3C(=O)c4ccccc4C3=O)CC2)cc1C 1772790331 MTAFWZMCRXSSIA-UHFFFAOYSA-N 442.493 2.459 30 10 IEEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCCc3nc(C#N)cc(Br)c31)CS2 1848740559 CGDJOYLLCXJXRM-NSHDSACASA-N 446.330 2.282 30 10 IEEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 1849335756 CDQBUBOERNVZQK-CYBMUJFWSA-N 441.285 2.358 30 10 IEEE Cc1cn2nc(C(=O)NCC#CCN(C(C)C)C(C)C)cc2c(N2CCSCC2)n1 1850925297 HSTSUSGMWHGUPC-UHFFFAOYSA-N 428.606 2.443 30 10 IEEE CCc1nc(N2CCN(CCNC(=O)Nc3ccc(C#N)cc3)CC2)c2c(n1)c(C)nn2C 1851776692 NJWACSZDJSWHTL-UHFFFAOYSA-N 447.547 2.050 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)Cc3ccccc3I)CO2)nc1 1851895192 ZRQUCBGYZBCBMQ-CQSZACIVSA-N 435.221 2.464 30 10 IEEE C=CCN1C[C@@H](C(=O)OC[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1852586001 ZINZQWVUMDHQMC-CVEARBPZSA-N 440.949 2.318 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(=O)[C@@H]3CCOC3)c3ccccc32)cc1 1854284123 VLYCMDXTIWFWBV-MRXNPFEDSA-N 425.466 2.053 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1854599849 ULHCIYSUUIDWDP-SFHVURJKSA-N 439.965 2.130 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1856092141 JOHVXJBLRNAHBZ-UHFFFAOYSA-N 425.510 2.199 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C(C)C)c(C(=O)O)cc2=O)nc1C 1857886551 ASFXDDZGWYULMC-UHFFFAOYSA-N 435.458 2.253 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862694649 OEWPVSZVSHXZNI-LJQANCHMSA-N 438.436 2.108 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@H]2CO)=C(N)Oc2c1c(C)nn2CC 1865223888 HQFZSJMJUDQKGT-JXFKEZNVSA-N 438.528 2.454 30 10 IEEE C=C(COCc1ccccc1)[C@H](NC)[C@H](O)c1cn(C)nc1I 1922059528 HRZZEBOYANSODI-JKSUJKDBSA-N 427.286 2.419 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1993678569 PSPOYXUFGFBNAE-OAGGEKHMSA-N 427.542 2.332 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2054380561 GTDJZORFYDPCRC-JGVFFNPUSA-N 447.195 2.299 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2247905476 ULJVQQYEHSGMSA-CYBMUJFWSA-N 440.293 2.037 30 10 IEEE CN(C[C@H](O)CN(C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)OC(C)(C)C 2254807969 FUTYYYHCOUPHRU-CQSZACIVSA-N 439.337 2.184 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)co2)OC1(C)C 2255546024 ZCIXEZQERRIEFX-ZDUSSCGKSA-N 430.232 2.252 30 10 IEEE CC1(C)OB(c2cc(F)c(C(=O)N(CC(N)=O)Cc3ccccc3)cc2F)OC1(C)C 2255667624 NDUIGJSEVAYMDS-UHFFFAOYSA-N 430.260 2.392 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]2C1 2255710289 IQXHBJIORIOOQM-WMLDXEAASA-N 431.342 2.395 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255826634 CEUFXVDDTQSYRC-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256015443 VBRURLHAYMXHEF-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2256235455 UYWPCBRYKOYIHE-LKBUQDJMSA-N 430.314 2.018 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256719616 AVOIDFQXKUMDBF-QGZVFWFLSA-N 429.326 2.268 30 10 IEEE CC(C)(C)OC(=O)Nc1cc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)ccn1 2267197771 OHOIPOPQKSFVGX-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267227149 YZPZOFLXFNGRHB-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2267267868 ZSICKZCGXMFYQO-BRWVUGGUSA-N 445.369 2.452 30 10 IEEE CCn1cc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267493679 LWXRBEZKUYNBLL-UHFFFAOYSA-N 446.357 2.038 30 10 IEEE N#Cc1cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1Cl 2270540389 NOMLVYHGSUGSMB-INIZCTEOSA-N 437.861 2.333 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271373301 MIFBOKMZAYPVCV-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE COCCn1cc(C#C[C@H](O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cn1 2302057664 AZVVZGHQCORPLQ-RTWAWAEBSA-N 429.517 2.352 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)n1C 2337321732 NYSQTZJAVSDVOS-UHFFFAOYSA-N 448.373 2.203 30 10 IEEE CCOC(=O)c1ccc(NC(=O)C[C@H]2N=C(N/C(N)=N/c3cccc(C)c3)N=C2O)cc1 40376037 UZHSFNVNGORGGC-QGZVFWFLSA-N 436.472 2.431 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 102754427 WIPPJOWVTOZNNO-LCPUNJGISA-N 426.517 2.419 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CN4CCc5ccccc54)CC3)CC2)o1 303505909 VVJNRACDFRVNRP-UHFFFAOYSA-N 448.571 2.278 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@@](O)(C(F)(F)F)C1)CCCC2 426425822 SOQSHUOCDXMKAE-VLIAUNLRSA-N 440.466 2.355 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@@H](C)c3ncc(Br)cn3)CC2)c1C#N 432512588 HSAAAHWKWCWMSV-NSHDSACASA-N 436.339 2.469 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSCC 460803954 OHTLBHRYTLDWNH-CVEARBPZSA-N 431.628 2.155 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 460956308 AVRYDOGKHLAUMC-UHFFFAOYSA-N 447.561 2.058 30 10 IEEE Cn1ccnc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1=O 466747892 PPPFDXDTHIUSHG-UHFFFAOYSA-N 440.573 2.133 30 10 IEEE CCOc1ccccc1[C@](N)(C(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 484268335 AMYMRMYEHWKZNZ-FQEVSTJZSA-N 433.434 2.417 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 485656993 KWCWEYQPZQYOLB-QTJFZDIUSA-N 448.495 2.065 30 10 IEEE N#Cc1ccc(NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1Br 487991664 JTVCNVFIDPJGBP-UHFFFAOYSA-N 434.338 2.387 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cnn(-c4ccccc4)c3)C2=O)cc1 505330896 VBPXRUDWOZPPJA-HXUWFJFHSA-N 428.452 2.265 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(Br)cc3O)C2=O)cc1 506864833 CHCMMZSROLFPNO-QGZVFWFLSA-N 428.286 2.486 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@]3(CCCOC3)C1)CCCC2 510608176 JXWTZFZQHSMDAM-HOYKHHGWSA-N 442.560 2.237 30 10 IEEE C[C@@](CO)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Br)cc1 511285266 AIPWPQGKVJKYQY-INIZCTEOSA-N 440.275 2.415 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1C 514478658 BBOUHYHDPZQDHZ-UHFFFAOYSA-N 443.450 2.475 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 522673480 YBZYJPXLVNAGRA-HNNXBMFYSA-N 430.476 2.239 30 10 IEEE CC(C)N1[C@H]2CC[C@H]1CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CC2 539369827 LEMXDLQJGRAGBB-RJGXRXQPSA-N 427.568 2.482 30 10 IEEE Cn1c(=O)c2cc(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)cnc2n(C)c1=O 540283613 KRMHUVMCCADLCJ-UHFFFAOYSA-N 440.463 2.493 30 10 IEEE COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 546177336 NLUGTHISNHOUJC-UHFFFAOYSA-N 442.522 2.465 30 10 IEEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 555238446 SBPKBLHNLWHUJH-INIZCTEOSA-N 428.562 2.483 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)nn(-c2ccc(F)cc2)c1N 590067185 TUIIUADMXVBGOG-OAHLLOKOSA-N 448.506 2.246 30 10 IEEE Cn1c(N/N=C/c2ccccc2O)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 606630171 KSJOLGATQVWDQD-FOKLQQMPSA-N 438.875 2.287 30 10 IEEE COC(=O)[C@@]1(NCC(=O)N(C)C2(C#N)CCCCC2)CCCN(Cc2ccccc2)C1 611265828 JMIGABJBPVSIKN-XMMPIXPASA-N 426.561 2.469 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc3c2OCCO3)c1=O 614556134 VOUYGGIGYSDLLY-UHFFFAOYSA-N 444.512 2.189 30 10 IEEE CC(=O)N[C@@H](CS)C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 706615012 LQAHNCVRHRTICG-NRFANRHFSA-N 427.570 2.009 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 728724258 IIGKGNDTMIXLMA-ZDUSSCGKSA-N 436.465 2.120 30 10 IEEE C#CCN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)[C@H]1CCS(=O)(=O)C1 731213433 BIXHVOKNXQYDTE-SFHVURJKSA-N 428.476 2.319 30 10 IEEE N#C[C@@H]1CN(C(=O)CCC(=O)c2ccc(I)cc2)CCN1C1CC1 732664335 HJVAGJJLORXIBG-MRXNPFEDSA-N 437.281 2.453 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)cn1 732796899 KZNUEPRQNCJFAT-UHFFFAOYSA-N 447.564 2.197 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCc1csc(-c2ccc3c(c2)OCO3)n1 741340756 GSVIRKPKQVVRQK-VHEBQXMUSA-N 427.438 2.499 30 10 IEEE COc1cc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 751247727 IDWRQEOWALTBPJ-LLVKDONJSA-N 434.743 2.472 30 10 IEEE Cc1nc(-c2ccc(I)cc2)nn1CN1CCN(C2CC2)[C@@H](C#N)C1 751594434 MFWADVSADPQWAJ-KRWDZBQOSA-N 448.312 2.488 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCOC2)c1 752834914 IGFFGMFHELLPKH-APWZRJJASA-N 438.532 2.175 30 10 IEEE Cn1cc(-c2csc(=Nc3ccccc3C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 753747142 KBEAYODUXVLMMQ-OAHLLOKOSA-N 442.570 2.336 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(-n2cncn2)cc1 758319482 UUJQQTQGGGLWMA-QILLFSRXSA-N 425.493 2.387 30 10 IEEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccc(Br)c(F)c3)c2=O)CC1 763312326 LXYLVUDSRFPRBH-UHFFFAOYSA-N 447.333 2.105 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCCCN2C(=O)NC(C)(C)C2=O)cc1 769841625 IFQXUFVLJWTEGW-UHFFFAOYSA-N 433.509 2.069 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@H](O)c4ccc(C#N)cc4)CC3)cc2NC1=O 780922341 IBXYFHIVHDUURO-RCDICMHDSA-N 433.464 2.433 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnn(-c2ccncc2)c1C(F)F 786492237 DHBGKKQNWAGYBK-UHFFFAOYSA-N 433.396 2.204 30 10 IEEE N#C[C@@H](C(=O)CCC(=O)N1CCOc2ccccc21)C(=O)NCc1ccc(F)c(F)c1 786573121 ZNSZJTSOGFNOTL-HNNXBMFYSA-N 427.407 2.496 30 10 IEEE C[C@H](NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(N2CCCC2=O)cc1 803597081 AKFGKPQQNFIICG-SFHVURJKSA-N 445.523 2.470 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 804703749 XXFPTFKHHOYXID-UHFFFAOYSA-N 437.275 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 813471390 JLCQVUZESLRKOA-HUUCEWRRSA-N 426.489 2.163 30 10 IEEE COCc1nc(Cl)cc(NN=C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)n1 814978363 BUAMNUUZRLAZDT-CYBMUJFWSA-N 440.932 2.437 30 10 IEEE C#CCN(C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)[C@H]1CCS(=O)(=O)C1 815091350 SFGHRGQPJPEBOT-INIZCTEOSA-N 435.933 2.347 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2C1=O 918812062 CLKHOLASZCEDLX-KRWDZBQOSA-N 447.491 2.268 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(Cl)c(F)c3)c3nn[nH]n3)cc2C1=O 1138098651 WGNSJHIEFOGEMI-INIZCTEOSA-N 440.822 2.294 30 10 IEEE CN(C)C(=O)O[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1170479036 GQLCSJQEGAVDET-IAGOWNOFSA-N 443.548 2.129 30 10 IEEE CN(C)C(=O)Nc1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1273009529 PDBSFXOMHITYEQ-GOSISDBHSA-N 434.456 2.495 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286324895 TYWYWKCZPPJWHU-HSZRJFAPSA-N 433.516 2.360 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286355094 YTOZBEWYUBCKPS-UHFFFAOYSA-N 441.561 2.195 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1286366741 CMYGJRNTUGTWDZ-KRWDZBQOSA-N 449.502 2.388 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286379915 DWVBJUGQPCYASG-LJQANCHMSA-N 447.605 2.111 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286391210 GYIXIYPOULHEPI-NZQKXSOJSA-N 442.585 2.155 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286393887 LFBNABNCIAFRKV-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCS(=O)(=O)NC 1286402540 ZVOFVESSSGVSQD-UHFFFAOYSA-N 447.973 2.435 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1286437294 DCLXVGGUWXMZIN-UHFFFAOYSA-N 438.557 2.293 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCOCC1 1286457296 LNOKJSILBWNVME-KRWDZBQOSA-N 432.496 2.185 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1286490267 JHTTXAGOCDSKLS-UHFFFAOYSA-N 447.465 2.173 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1286492019 CKEUZCZAZMTZSG-WCAVRKLYSA-N 429.565 2.037 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286548476 OJILLGRZTFISJU-NUEKZKHPSA-N 426.359 2.195 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1286566863 JVPYUOHRLSDBEO-QFIPXVFZSA-N 446.983 2.331 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286611657 MSCKMKNZDDJGJL-SFHVURJKSA-N 430.553 2.295 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCC1 1286723842 BEJDNFZCPOSDMO-UHFFFAOYSA-N 438.580 2.477 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1286724194 FCYIOUDNVFQYMR-MRXNPFEDSA-N 441.598 2.450 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286796752 VRNHRDDCYZRRQR-UHFFFAOYSA-N 439.520 2.051 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1286805864 XIZHQBHVNRNRPV-RTWAWAEBSA-N 426.565 2.478 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1286967495 FBZYCVJXLCHECV-MSOLQXFVSA-N 425.537 2.048 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)s1 1295095547 UHYCXFJNCYCDIE-XLIONFOSSA-N 437.562 2.456 30 10 IEEE C#CC[C@H](NC(=O)c1cc(Br)cc(I)c1)C(=O)OC 1299179435 YRSCECNQRKFTBP-NSHDSACASA-N 436.043 2.348 30 10 IEEE COc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)cc1OC 1300018483 HOASKYHMFDJLOX-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(F)cn1 1300471654 KJQVEBCCYQKYNO-UHFFFAOYSA-N 433.535 2.295 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300484934 VBCUDCQWKSAUTL-KURKYZTESA-N 432.546 2.024 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1300499043 OUMOQVMHTMYBTH-VQTJNVASSA-N 444.532 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1300548956 VDADLMLOZMJERQ-UHFFFAOYSA-N 442.458 2.093 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301594468 DAMAYHYAOYSLAS-KRWDZBQOSA-N 443.577 2.197 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301916888 PBWPSZAADJHTNH-MFEFFIJZSA-N 438.532 2.116 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1303939441 FMGAKXXOFLLQPJ-OAQYLSRUSA-N 431.541 2.055 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)CCCN1C(=O)OC(C)(C)C 1304891166 AJLCYJHJXIHMET-QKKBWIMNSA-N 449.939 2.324 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)C2)nc1 1312679239 YVCLHYCUCFHMGS-OALUTQOASA-N 425.537 2.219 30 10 IEEE C#C[C@H](NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1)C1CCOCC1 1313043657 SKNUKDMMRSXVMI-KXBFYZLASA-N 439.512 2.439 30 10 IEEE COc1ccccc1OC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1315647511 GYIHFAKALNGFAU-AEFFLSMTSA-N 437.504 2.131 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1315909609 BDNHLXRXRMSJGV-FQEVSTJZSA-N 437.592 2.315 30 10 IEEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CCCOC1 1349409051 RKQPZSVZBCJSBK-QGZVFWFLSA-N 432.329 2.147 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCN(CC)CC1 1358880743 RTFDHEOGHAKITH-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCc2ccccc2C1 1358984486 XXWAHADGXLVVSV-UHFFFAOYSA-N 444.583 2.425 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1359037252 BHKAOCNTTOBHMD-UHFFFAOYSA-N 434.466 2.370 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCc2cnn(C)c2)CC1 1359047032 OKHFJLAQVLPVBO-UHFFFAOYSA-N 437.592 2.343 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359059620 UNWHRCLNHQNELH-HXUWFJFHSA-N 438.601 2.373 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)CC 1359108335 JYJFBSJZXVBOKZ-UHFFFAOYSA-N 448.593 2.076 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359125829 VGAWSZMLXMYLEL-OALUTQOASA-N 427.553 2.312 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359136333 GQTYILUNDXHBDM-YLJYHZDGSA-N 441.532 2.173 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359213174 MCFCBVQAZWNVFX-YLJYHZDGSA-N 436.516 2.457 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359224310 MKCYQYDTFYIAHV-HNNXBMFYSA-N 425.942 2.210 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1359274883 DNXORFGFNKZXOJ-JOCHJYFZSA-N 430.574 2.330 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(F)c2)C1 1359320644 SZCOOCMQFMLQAW-AEFFLSMTSA-N 429.496 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1359332114 PRBCGNVGHZPNJC-IBGZPJMESA-N 429.546 2.281 30 10 IEEE CCOC(=O)Cc1csc(N(CCN(C)C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1 1438594712 LFYOIVXEQQCPMH-OAHLLOKOSA-N 430.530 2.482 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c1 1442572022 OWUSGPWTGFTKAW-HXUWFJFHSA-N 449.479 2.065 30 10 IEEE COC(=O)c1cc(Br)cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1C 1451726144 LWBUMTTVHAIWQL-MSUUIHNZSA-N 436.262 2.399 30 10 IEEE COCCOc1ccc(-n2nc(C)c(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)n2)cc1 1452950871 YWGCEPYOHHNAGQ-NRFANRHFSA-N 435.484 2.278 30 10 IEEE CC(C)(NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cccc(C#N)c1 1460407421 JIROFMFBUSQNPL-UHFFFAOYSA-N 439.541 2.492 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)C1 1465050138 AZNXNOSTBFQSGZ-GOSISDBHSA-N 434.562 2.089 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1465073971 DTGOPSDZGWFYCG-YLJYHZDGSA-N 436.516 2.438 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c1 1469061223 SZNDGOIGODHOOF-UHFFFAOYSA-N 440.565 2.241 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 1472030583 BNAONYUFKKSWIB-PXAZEXFGSA-N 441.431 2.094 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCc3nc(C4CCOCC4)n[nH]3)CC2)c(F)c1 1479096157 UAKTZFSSSJCOJX-UHFFFAOYSA-N 428.468 2.462 30 10 IEEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1493777696 GFIANZHQQXSZKP-KRWDZBQOSA-N 446.577 2.294 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1494621783 IKGWWCGCFCAMOY-IIBYNOLFSA-N 429.546 2.476 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2ccnc(C(C)(C)C)n2)cn1 1503652795 GYSZYWXLZJCMTI-SFHVURJKSA-N 435.536 2.128 30 10 IEEE CNC(=O)c1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)c1 1503741220 WTIMYDMVXWZDRN-AWEZNQCLSA-N 435.488 2.010 30 10 IEEE CSCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505238382 LXTVLFJETIQFNS-GOSISDBHSA-N 431.610 2.224 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4cccnc4)n3CC(F)(F)F)CC2)nc1 1505317927 DMOUANNOTAXXKY-UHFFFAOYSA-N 428.422 2.419 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1507582556 HWBXRIUQCUIRTN-QGZVFWFLSA-N 447.543 2.145 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(N2CCOCC2)CC1 1507643470 WAMVUDKLCFZTLT-IBGZPJMESA-N 437.519 2.495 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](COC)C1 1507748178 NLUJJHVLCPQVOZ-RDJZCZTQSA-N 430.530 2.280 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507810007 YBPAXYVXOLUOEK-QYZOEREBSA-N 440.610 2.413 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1507871867 ATCBTPZEXWPXCU-UHFFFAOYSA-N 435.912 2.089 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1507997725 XIIJVXIUPXFOQJ-HTAPYJJXSA-N 443.573 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1508080916 TUCXAQDVDWDHNJ-HNNXBMFYSA-N 440.577 2.384 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CCOCC2)C1 1508092413 BUHHKXQANARLGE-UHFFFAOYSA-N 441.532 2.175 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2COCCO2)C1 1508114277 CPHYOAJSSIPGFT-ROUUACIJSA-N 430.505 2.159 30 10 IEEE Cc1ccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1C 1510917035 BJXGEJOEACKQGU-DQRAZIAOSA-N 435.532 2.056 30 10 IEEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1519743844 DUWJKPAADHNOHL-GJZGRUSLSA-N 434.591 2.038 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)n1 1520238844 IYSCHZDRAZSYJJ-LJQANCHMSA-N 447.333 2.131 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)cn2)cc1 1535588066 RYNDEPNRIZBQDH-FQEVSTJZSA-N 431.431 2.001 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1538991839 FMDAOGWRECUGEM-SFHVURJKSA-N 440.592 2.446 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539220679 UUNMVGIUZYVGFV-SIKLNZKXSA-N 448.564 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1539232083 ZJJCGFIEPZXLQC-UHFFFAOYSA-N 447.539 2.336 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1539461530 GYPJYUOBRYSLJM-VQTJNVASSA-N 439.560 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)COC)CC1 1539474468 REHHMFFANWRDAW-KRWDZBQOSA-N 425.533 2.202 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1539490516 WVOQGDUXOMLAFA-UHFFFAOYSA-N 427.530 2.246 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539619387 FMBNFEOKHBCKTA-AZUAARDMSA-N 433.578 2.291 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1539751492 OFUVCDKLOSQOPQ-WOJBJXKFSA-N 446.573 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 1540549912 BNSJLDATHQYMFP-WMZHIEFXSA-N 428.533 2.157 30 10 IEEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C(F)(F)F 1554621925 AOAXGGQPGBJQAJ-HUUCEWRRSA-N 449.499 2.278 30 10 IEEE COc1cc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc(OC)c1OC 1554757476 HUPANFKPOJMIOB-QGZVFWFLSA-N 436.472 2.143 30 10 IEEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1555410664 DAEHMWFDWIXMOW-RTBURBONSA-N 441.532 2.240 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cccc(CNc3ncccc3C#N)c2)cn1 1556603530 HZQOAHVPGOGGSY-OAQYLSRUSA-N 443.511 2.333 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)s1 1568502117 OHAZTUCNDAWFMH-HNNXBMFYSA-N 432.926 2.397 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)s1 1587207658 JPFDYHYAKIIWRI-SFHVURJKSA-N 433.599 2.488 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1587668108 SRLFPQVPHJGJPB-NHCUHLMSSA-N 449.603 2.460 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1588041642 YYRKYVUIFGCXDZ-IBGZPJMESA-N 439.541 2.419 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(OC)nc1OC 1588140598 ZCFKAHGUQBLCIL-FQEVSTJZSA-N 445.479 2.324 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1588238332 QZBJCINVTSSFLR-UHFFFAOYSA-N 447.564 2.373 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1594521022 JUDQJTXZKDWGHD-OAQYLSRUSA-N 435.594 2.018 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1595602540 MZCRQKWCXNUWQQ-QGZVFWFLSA-N 447.486 2.198 30 10 IEEE C=CCn1cc(CNC(=O)c2c(Cl)ccc(S(=O)(=O)CCOC)c2Cl)nn1 1598183161 XCKAISCUHGSRGQ-UHFFFAOYSA-N 433.317 2.121 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nn(CC(F)F)c2ccccc12 1607979042 JKTPKFDMXNMQND-UHFFFAOYSA-N 433.440 2.369 30 10 IEEE C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1612942382 MPEYRJFXGPRVLM-IXRNKUJNSA-N 446.577 2.376 30 10 IEEE CN(C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1)C1CCCCC1 1617555541 FSFMLTVPXPBSKI-UHFFFAOYSA-N 440.573 2.177 30 10 IEEE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2ccccc2C#N)CC1 1619922990 QAENMLOHIRDYMS-FPOVZHCZSA-N 440.548 2.237 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1=O 1624822596 OYGHCWDUZRTJKK-IBGZPJMESA-N 437.500 2.197 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 1628767398 NSAJLSCSHYZOMV-AUSIDOKSSA-N 430.549 2.327 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 1630764919 WWQSVGPLGWKGQL-CRAIPNDOSA-N 428.468 2.004 30 10 IEEE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1632702057 UYJGZRWDUPMKRI-INIZCTEOSA-N 441.871 2.472 30 10 IEEE C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1635277615 QMBCEQCZWTUKOV-OAHLLOKOSA-N 447.377 2.469 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNC(=O)c3ccccc3OC(F)F)C2)nc1 1635415648 MPOYNTOCERILSP-HNNXBMFYSA-N 429.427 2.388 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1643153940 CASXGDOKVLVLLP-DLBZAZTESA-N 434.537 2.148 30 10 IEEE O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NC[C@H](O)C(F)(F)C(F)(F)F 1643519265 AAEADJBERNUWPL-JTQLQIEISA-N 443.312 2.240 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 1645806986 NNBXBNLRCDWXNC-UHFFFAOYSA-N 427.486 2.098 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)Cc2ncsc2Br)CCN1Cc1ccccc1 1661509535 QNKXLDFACOVZPT-AWEZNQCLSA-N 441.376 2.445 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1OC 1668882074 HCDOWHQZLVBFSM-DYESRHJHSA-N 435.546 2.486 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(C#N)cn1CC 1672405459 HISXOZAUPHFAPS-UHFFFAOYSA-N 447.517 2.128 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)C1 1675516401 PNBZHCXAUBZVOF-MRXNPFEDSA-N 434.541 2.160 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1689888239 DSVWSWYHQFHCRW-FQEVSTJZSA-N 430.597 2.314 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1689910434 GVAKVTSGWOPWDU-UHFFFAOYSA-N 442.951 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(Br)c1 1689998552 PNODXWKZPOXZAJ-UHFFFAOYSA-N 444.333 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)[C@H](C)CC 1690013367 LQCWYVDPFUWZAG-VGOFRKELSA-N 442.589 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@]1(N2CCOCC2)CCSC1 1690021118 IQZLNBRZUGLCDD-RUZDIDTESA-N 449.624 2.458 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1690059240 MFTPOROWLJXUDB-PBHICJAKSA-N 439.969 2.389 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCC(F)F)CC1 1690133657 OWGJUUQYABQRME-UHFFFAOYSA-N 448.543 2.015 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690183206 PQXMFGLVBYMKLZ-IBGZPJMESA-N 443.621 2.199 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](N2CCCC2=O)C1 1690238194 GKSCKJZBJDKCIN-BNDYYXHWSA-N 447.580 2.184 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690288005 CNDWZDHJAZQPBU-OAHLLOKOSA-N 437.516 2.361 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690347665 MHBSXTGBJYZMPJ-KRWDZBQOSA-N 428.924 2.403 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690422024 ASVOVNCRDHCTEJ-QGZVFWFLSA-N 442.951 2.348 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC)C1CC1 1690544818 BSHDABMTHJNWDA-OAHLLOKOSA-N 432.594 2.242 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1690581579 USENTYJHTPZECK-XUVXKRRUSA-N 430.597 2.148 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 1690714243 HZIJFZCWBPTOHA-IBGZPJMESA-N 445.589 2.086 30 10 IEEE C[C@@H]1CN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCO[C@@H](C#N)C3)cn2)CCO1 1693745955 HLZWEGARSGYOOJ-MJGOQNOKSA-N 439.564 2.264 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1CCOC1 1696179733 ZSHBZFCBTUYNJA-MSOLQXFVSA-N 427.505 2.411 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CCO1 1697894218 NPIYSUKPSQXDPA-LEWJYISDSA-N 441.532 2.254 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1c(C)cccc1C 1698172120 VEPVLCBGLPEECQ-MOPGFXCFSA-N 429.521 2.427 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H]4CCOC4)C3)n2CC(=O)NCC(F)F)cc1 1698485220 AFUWZKRFVFYZMQ-IAGOWNOFSA-N 430.459 2.061 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705567891 BUGUUQNAGZXKTJ-IBGZPJMESA-N 430.574 2.415 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCCC1(C)C 1705585042 IUJCVPOURUBSHQ-JOCHJYFZSA-N 425.558 2.284 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705641315 ADKTURAVXPREEL-PKTZIBPZSA-N 437.588 2.260 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705687530 FCTPXHVMRDLTQZ-UHFFFAOYSA-N 448.369 2.206 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705783418 HEMXIHZEYPAKII-QURGRASLSA-N 433.516 2.193 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1705789199 BYYKIZINUNSLRM-HNNXBMFYSA-N 435.532 2.106 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1710012754 BSFIKIZQKXAPMY-PXNSSMCTSA-N 444.605 2.419 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@H]2C[C@H](F)C2)cc1 1712879911 QTFPGQVZMWHSJR-SAABIXHNSA-N 426.496 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1722275682 FKQNVALQPKWKHM-KSFYIVLOSA-N 426.521 2.178 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1722327282 NNQAKOHXIBLOOA-UHFFFAOYSA-N 447.547 2.077 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1722360317 GGAKXAVEJOVYRX-QGZVFWFLSA-N 442.570 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1722381447 APRKJFIGLLGSTI-UHFFFAOYSA-N 435.553 2.390 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1722410776 OOSQQWRECRVFNX-NRFANRHFSA-N 436.560 2.212 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1722416267 JTKSLFSWGDDJAR-INIZCTEOSA-N 428.541 2.479 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1OCC[C@H]1C 1722419626 CCIDTCGVNOXMCQ-YVWKXTFCSA-N 446.548 2.384 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCO1 1722535092 YUEJIJWZGFAPQW-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1722603459 JKRMIIGLMIEDSB-CQSZACIVSA-N 439.504 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722732270 XFISUGRDSBQBRR-GOSISDBHSA-N 448.536 2.155 30 10 IEEE C=CCSCCn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1722740668 YMSZYNCGLODSGF-MJGOQNOKSA-N 434.654 2.484 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1724001763 AQLFTJWZJFSVCH-QFIPXVFZSA-N 429.488 2.100 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3CCOC(C)(C)C)CC2)c1C#N 1725868771 RIWNKPFBAFSHAF-UHFFFAOYSA-N 449.563 2.395 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1726771145 AKQYBLIPWLPJLS-GEQKSPFYSA-N 441.532 2.131 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1727927546 FTAIWRMVCAWFNZ-QGZVFWFLSA-N 437.548 2.038 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCC(=O)N1CCOCC1 1729408256 BDUJKBGIMCWXHX-UHFFFAOYSA-N 431.500 2.097 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCCO 1729409273 CJKMRLPKCIPEHP-LJQANCHMSA-N 431.562 2.241 30 10 IEEE COCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1730631655 BMPYCBONXVUGAO-RTWAWAEBSA-N 446.577 2.187 30 10 IEEE COCCOCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1730929147 UVNRPHIKJPFSKP-UHFFFAOYSA-N 428.512 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740636182 VADPSABWDVVKJI-OAQYLSRUSA-N 432.528 2.331 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCN(CC)CC1 1740642410 VJMXCSGMFYKJQB-UHFFFAOYSA-N 440.542 2.248 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCn2cc(C)cn2)CC1 1740692972 RCORDQMDDVFHON-UHFFFAOYSA-N 449.559 2.313 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COCCO1 1740915682 OQQGGNIPNAQKJP-FQEVSTJZSA-N 441.532 2.131 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1740941332 IIRZRZSYWUZVKX-LBPRGKRZSA-N 428.502 2.072 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740955625 AGUBWQLCMPOQIQ-UHFFFAOYSA-N 444.511 2.301 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C)[C@H](C)C1 1740985102 BHSIPWWKQXAUKE-JKSUJKDBSA-N 425.599 2.280 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC(C)(C)O1 1742004153 POAMWESAZJGOIK-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(COC)CCCC2)CCOC1 1746732606 AANZORKFFRITPT-XMSQKQJNSA-N 433.553 2.256 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1748132886 DXHFTBMTVZFKCR-BGOLNKOXSA-N 440.573 2.080 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1748201530 AMYSZQAGWSMCOP-UHFFFAOYSA-N 449.515 2.344 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CCOC 1748751500 IGOBYJGRKAXVHB-GOSISDBHSA-N 446.552 2.366 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(N)=O)C1 1749090111 IUOHXOSCXABPNP-KRWDZBQOSA-N 435.282 2.464 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1749386235 YGDNQGZZFDKPGY-OAQYLSRUSA-N 436.560 2.429 30 10 IEEE C=CCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749606102 IXKHZWQIZXQSPP-FPCVCCKLSA-N 439.582 2.104 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1749729127 BPHMCPJOJXGPJB-INIZCTEOSA-N 449.552 2.180 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1750076460 NMXYNRPFJLBRBR-TZMCWYRMSA-N 441.479 2.436 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(Cl)s2)cc1 1750384599 GWXSPRKURGFBIV-UHFFFAOYSA-N 428.905 2.428 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1750550796 SAEDIOCQISUWJK-FQEVSTJZSA-N 447.547 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[C@H](C(F)F)N1CCOCC1 1760119009 RUICHWNRIRIPBM-WMLDXEAASA-N 438.548 2.448 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760122046 GSXFMPVARUFIEY-KURKYZTESA-N 444.605 2.227 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760181988 AACLUKZHAUTYDB-FQEVSTJZSA-N 439.541 2.036 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1760252109 LVARWSWWMPQNTN-UXHICEINSA-N 442.608 2.111 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1760284890 UMMPAUGCVFXVRA-UHFFFAOYSA-N 434.573 2.055 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760297249 MSMODNZLFSHSMP-NFBKMPQASA-N 441.601 2.337 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1760316961 YWCPNVRAAVZPHZ-FUDKSRODSA-N 441.576 2.130 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760452774 JBOXLOQZBDKXCF-FUHWJXTLSA-N 431.541 2.297 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1760514424 FLORCIXDPXXAJV-CYBMUJFWSA-N 432.475 2.120 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1760545785 BLNQGFPSCPFBFA-KRWDZBQOSA-N 433.553 2.306 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760556494 FRGHVKYLRPLRCG-WMZOPIPTSA-N 435.619 2.204 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CCOCC1 1760690048 JNOMJAVIUGDJRK-SJORKVTESA-N 427.509 2.417 30 10 IEEE CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1760873740 GKQOPYNSDGWDEE-FQEVSTJZSA-N 443.596 2.001 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1763887617 MSLCVXXTUAEJIL-HXUWFJFHSA-N 438.532 2.355 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1768980540 HPKRCRBXSIREKL-LSDHHAIUSA-N 435.431 2.019 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)C1 1771528608 CHNFRSXIIZJXNL-AVRDEDQJSA-N 426.496 2.321 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN2CCCO)C1 1771529489 OUIZZACPUDXQRQ-KSFYIVLOSA-N 448.493 2.436 30 10 IEEE N#Cc1cc2c(cc1CC(=O)Nc1nc3ccccc3n1CCN1CCOCC1)OCO2 1851859741 SDBQTYSGGGCHGS-UHFFFAOYSA-N 433.468 2.150 30 10 IEEE N#Cc1ccnc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)n1 1852052481 AQEDHABHUCPRFA-UHFFFAOYSA-N 425.452 2.337 30 10 IEEE Cc1ccc(C(=O)Nc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]2)cc1C#N 1852303483 SQDABOCALGGJMG-UHFFFAOYSA-N 445.483 2.288 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)N3CCc4ccccc43)CC2)CC1 1852449434 WSHQYOJUHVWJGG-RTWAWAEBSA-N 434.540 2.213 30 10 IEEE CN1CC[C@@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)C1 1852536191 AKALDGKAYAXPHB-QUCCMNQESA-N 428.510 2.274 30 10 IEEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1854591405 YFFLBAMTJGSZLS-PMACEKPBSA-N 431.558 2.031 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2cccc(-c3ccccc3)c2)CCN1S(=O)(=O)CC#N 1854641352 CMAJKLWBJUNVKW-KRWDZBQOSA-N 425.510 2.199 30 10 IEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCCCC3)cc2)c1 1858987765 LINNZZQHEIFCSQ-UHFFFAOYSA-N 440.525 2.415 30 10 IEEE COc1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866787 KQQLHZRCXCDNCC-RTBURBONSA-N 442.541 2.149 30 10 IEEE CCOCCCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933349 DPHIBFLXFZDHJN-GOSISDBHSA-N 433.505 2.018 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2)cn1CCOCCO 1870760093 YFEBGXRKNPURCD-UHFFFAOYSA-N 441.528 2.049 30 10 IEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2cccc(NC(C)=O)c2)cc1=O 1871006972 DXIXHDRAMBAFRC-UHFFFAOYSA-N 438.528 2.153 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(NCCN3C(=O)CSC3=O)ncnc2n1CC 1875202542 QOTPVGKTMRFPQO-UHFFFAOYSA-N 428.518 2.373 30 10 IEEE C=C(Br)CS(=O)(=O)NCCOC1CCN(C(=O)OC(C)(C)C)CC1 2006264405 FRJLYICBYBLYOM-UHFFFAOYSA-N 427.361 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2141249144 VIEOEYFEJTUKFN-MRXNPFEDSA-N 447.341 2.083 30 10 IEEE C=CCC1(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2243177391 YYCQZOASPRPNCH-UHFFFAOYSA-N 427.542 2.145 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247919339 QJNIZOVPGOTYRY-INIZCTEOSA-N 432.351 2.092 30 10 IEEE COC[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2248442909 VEZVDQBDIPOFPN-LBPRGKRZSA-N 441.359 2.311 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2255533032 QTMLJNZEOQZTKN-STQMWFEESA-N 449.382 2.428 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267483077 NHDKRMHPOXLJKJ-IBGZPJMESA-N 438.381 2.454 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493731 MNMYMLYULRHQHX-HUUCEWRRSA-N 448.373 2.155 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267510104 GFCPIFNGEBUXTL-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CN(Cc1ccccc1)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267802569 VJWHHKGYTCOLTJ-UHFFFAOYSA-N 438.333 2.353 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268644000 MXMVTEFTBPAEMA-RVKKMQEKSA-N 448.369 2.437 30 10 IEEE CCOC[C@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#Cc1cccc(Br)c1 2278735214 MPMNKQOXIINBMU-QFBILLFUSA-N 427.339 2.420 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)CO2 2320055882 KUIQUSDQEJLACC-PONJGIIJSA-N 434.342 2.057 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2337292116 NKRDSHPKTGDYIQ-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE C=CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@H]1c1ccc(O)c(OCC)c1 9556733 CVDHRWKLIYGYRO-IHFIDZABSA-N 432.469 2.289 30 10 IEEE CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 25431624 OLMMEMBWTUYCBY-GOSISDBHSA-N 445.545 2.359 30 10 IEEE COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 31583181 VSKVZXBJEYSTBK-FQEVSTJZSA-N 439.516 2.358 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)c1ccc2c(c1)OCO2 254410676 XMYMFOZSIAVORK-CRAIPNDOSA-N 430.507 2.326 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cc21 427883817 GCJXOVZUFBRJMF-UHFFFAOYSA-N 446.854 2.826 30 10 IEEE CC(C)C[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(=O)NCCN(C)C 446635545 WZXXETYKVRUKHF-MHJFOBGBSA-N 444.580 2.035 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447264325 LMWNIIHIXHONIG-UHFFFAOYSA-N 445.491 2.214 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 460809335 MTTRPXHEGZUCSQ-HUUCEWRRSA-N 425.580 2.446 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 474638764 ZZQIUSLQFNBRLP-KRWDZBQOSA-N 431.562 2.089 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(F)c1 478873014 XNJRUKPDCFFODI-UHFFFAOYSA-N 441.444 2.469 30 10 IEEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 480316288 DYIDXNZITSBRAH-AWEZNQCLSA-N 436.925 2.333 30 10 IEEE C=CCN(C(=O)N[C@@H](c1ccc(C(=O)OC)cc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 482437109 OQZLWYGPAUCFOH-GJZGRUSLSA-N 434.436 2.461 30 10 IEEE CNC(=O)c1cccc(CCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 504392502 WLSJXHJDATXWIU-UHFFFAOYSA-N 433.468 2.447 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 532730761 JNFDPGKGBRMWDW-GOSISDBHSA-N 437.548 2.009 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(CNCCS(=O)(=O)c3cccc(C#N)c3)cc2)C[C@@H](C)O1 548908383 SQSKPLGBKPQKFY-HDICACEKSA-N 441.553 2.371 30 10 IEEE Cc1cccnc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCCO1 549497050 ORPRUKTZYMYFKJ-IBGZPJMESA-N 430.516 2.421 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)Cc1ccco1 569173306 ODAZMTBNMBGOTO-SFHVURJKSA-N 447.517 2.190 30 10 IEEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 609744116 HTVBSCXKFBKVKU-SFHVURJKSA-N 428.514 2.487 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 670220030 NCTJCXMQBLSSHC-LJQANCHMSA-N 438.576 2.265 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 680007297 PNMJFGLSADFDID-GOSISDBHSA-N 434.500 2.092 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)c3ccccc3F)sc(=Cc3ccoc3)c2=O)cn1 727418264 XJPCNTNNKBZMAA-UHFFFAOYSA-N 447.447 2.421 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 734290905 BGKHDFFFGKKBCW-MRXNPFEDSA-N 431.901 2.374 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)cc1 737866774 JCSLHEFSMSRJKS-ROUUACIJSA-N 441.553 2.460 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1)c1ccc(C#N)cc1 752582222 OCEXPRDXXWACHB-IERDGZPVSA-N 438.436 2.386 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 761058411 XUTHVJBWHTVLQK-VQTJNVASSA-N 431.945 2.427 30 10 IEEE CCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 761684133 VHWBLNKURUZDKN-AEPNEWLMSA-N 425.533 2.380 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 763595946 RHPGTGGKUWLOSM-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE C#C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C1CC1 767523426 SWQWGCGYKMJRML-INIZCTEOSA-N 428.304 2.039 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 768228362 QTKMGRLUBJZKNT-KRWDZBQOSA-N 431.493 2.089 30 10 IEEE C#CC[C@@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccccc1 780842415 CQIQWNWVQXMRFD-FGZHOGPDSA-N 448.571 2.316 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)NS(=O)(=O)c1cc(OC)c(Br)cc1OC 786499427 FEUDOXSYXMKINT-MEBBXXQBSA-N 434.308 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 793739074 ZKNWTEMGJLQGRJ-QFBILLFUSA-N 441.532 2.321 30 10 IEEE O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cccnc2F)C1=O)NC1CC1 794441230 NRIGZLSDFQFOMO-YEUWRSSNSA-N 427.505 2.327 30 10 IEEE NS(=O)(=O)c1ccc(C=NNc2c(F)c(F)nc(F)c2F)cc1Br 807951565 AGASPUZUVCXKIK-UHFFFAOYSA-N 427.177 2.494 30 10 IEEE CC(=NNc1nc(SCC(=O)Nc2nnc(C)s2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1084468291 LBQKZWHCXLQDKO-UHFFFAOYSA-N 433.479 2.440 30 10 IEEE Cc1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC[C@H]2CCCO2)cc1 1115979678 WXHAMLIHBRJHMH-GOSISDBHSA-O 448.590 2.446 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(CN4CCCS4(=O)=O)c3)CC2)o1 1131029938 IDAXSFUYUQFLIX-UHFFFAOYSA-N 443.529 2.245 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc2ccc(Br)cc2c(=O)o1 1137591662 FGEJYXRLACMUJU-UHFFFAOYSA-N 430.262 2.437 30 10 IEEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 1141353842 VNXFRDLNEXZZDT-UHFFFAOYSA-N 449.573 2.333 30 10 IEEE CCN1CCN(CCCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1144198021 RQMUWARIFUQXDS-ITGJCUMNSA-N 447.624 2.307 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 1147233785 FLSIRSIQSGBOAP-QHAWAJNXSA-N 427.545 2.405 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1149251470 UMEMMALLBGQURG-RTBURBONSA-N 445.516 2.232 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@H]1CCN(O)C1=O)c1ccc(Br)cc1 1159325077 QMSBSDPVMOMMTO-UGSOOPFHSA-N 442.310 2.295 30 10 IEEE C#CCN(CC(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O)C(=O)OC(C)(C)C 1159524292 VQKDSLDJIOCIBP-UHFFFAOYSA-N 426.473 2.109 30 10 IEEE Cc1ccc(C[C@@H](CO)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1160894887 GUJDSMNMRBMXLX-PZJWPPBQSA-N 434.496 2.100 30 10 IEEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1F 1167062714 SKNPFAXTFBGVTN-CYBMUJFWSA-N 434.445 2.191 30 10 IEEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1177474944 HINXLDBHHXFKPX-BMGOBEIKSA-N 449.548 2.390 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)c1occc1C 1286273007 CWZZGVGVWZIELA-VGOFRKELSA-N 429.521 2.110 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1ccnc1C 1286284096 XERFENIEOXBPGO-QGZVFWFLSA-N 430.520 2.364 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286303846 KHAXQKKCLKMXEN-DUPNKOKHSA-N 448.527 2.056 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(C)(C)C)cs1 1286408837 FQXDAWDNDKMCOX-MRXNPFEDSA-N 445.614 2.250 30 10 IEEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286702291 JIJQRGNUIFWTFF-SFHVURJKSA-N 426.496 2.447 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)CCS(C)(=O)=O 1286794945 COTQBWAQQBAWMF-UHFFFAOYSA-N 427.530 2.434 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)no1 1289402445 AGUOCIDJIJMQDF-UHFFFAOYSA-N 435.488 2.165 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 1290006174 JYNCULXXJXLKSV-GOSISDBHSA-N 433.350 2.080 30 10 IEEE CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1296165399 IUWGSKIKMPMOGR-HNNXBMFYSA-N 439.545 2.313 30 10 IEEE CCOCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1297461086 ZKWJTKUGVCVTEE-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1299551834 DBORZCNSDKBUAO-XLIONFOSSA-N 437.548 2.434 30 10 IEEE CC(C)(C)OC(=O)CN(CC1CC1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1300326228 KLKYEVDCXLQBAG-UHFFFAOYSA-N 435.546 2.086 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300630590 WVNGEYRRTTUYGC-LJQANCHMSA-N 431.548 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CCN(C(C)C)CC2)CC1 1300693029 PZRCIXXLVYKDSR-UHFFFAOYSA-N 436.604 2.244 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)CN(C)C)CC1 1300705815 CPRBDVHCEZJQPA-UHFFFAOYSA-N 438.620 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(C(C)(C)C)no2)CC1 1300731324 OGBMMZHMVPSDRP-UHFFFAOYSA-N 428.537 2.114 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)CC(F)(F)F 1300819145 NDCDOQSSSGJGKG-TXPKVOOTSA-N 429.487 2.488 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1300972297 JWZZPJKPTSQMFW-LSDHHAIUSA-N 431.459 2.263 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)C 1301424700 NWCNLYQKUBIHOH-GUDVDZBRSA-N 440.610 2.270 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C 1302251595 WBBYYWMLHUJJKB-KNLNXMFASA-N 441.532 2.050 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1303778176 VBFSPMGVRLHKED-GDBMZVCRSA-N 433.509 2.378 30 10 IEEE Cn1nccc1[C@@H](O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1304009567 PCFYCEWYSPAOHM-IBGZPJMESA-N 435.509 2.486 30 10 IEEE Cc1nccn1CCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1304707754 PDBJTZIQRMSMKL-SFTDATJTSA-N 431.516 2.356 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1305664783 FPOCNEHFRZEBPU-FXAWDEMLSA-N 434.541 2.201 30 10 IEEE CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309197709 FJLRRCFDNCIGMU-GJZGRUSLSA-N 435.365 2.297 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 1313307026 MUXMNSWJUQJXMB-QKNQBKEWSA-N 428.439 2.483 30 10 IEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)cn1 1315490244 ZKMVPVKVYDSECY-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C2OCCO2)c1 1358870722 RUTNMIAJRLUBFN-INIZCTEOSA-N 432.484 2.477 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1358958710 UOIYKQRTDGBMDR-KRWDZBQOSA-N 446.598 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1cccc(N2CCOCC2)n1 1358980894 OIODCOPJSVUUOA-UHFFFAOYSA-N 432.553 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1359040672 DCMGUXJEXGYUCT-QGZVFWFLSA-N 448.571 2.092 30 10 IEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1359213940 MNVNENAVRNWRAY-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1359231351 UFKMDGCMDKJTBZ-LLVKDONJSA-N 433.456 2.299 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C(C)C)C1 1359324518 MJFCQUDFQQNKTE-HRAATJIYSA-N 433.578 2.458 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359344226 POVJGRMTNJAMDM-IBGZPJMESA-N 433.553 2.269 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1)c1cc[nH]n1 1449532919 PDAJSGRKBWUPTK-GOSISDBHSA-N 443.287 2.024 30 10 IEEE CCc1ccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1450544612 OGZAKKZKWCIIRF-OAQYLSRUSA-N 427.526 2.389 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 1451449653 AMTHYMHNEBVQFU-RXVVDRJESA-N 445.516 2.261 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 1470708509 IBEGLULQFKWWCZ-INIZCTEOSA-N 443.552 2.263 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1499984886 ZOWFDXUEZRNAFR-MAUKXSAKSA-N 441.492 2.134 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507622022 AKNCZYDNTOEZGW-GOSISDBHSA-N 447.605 2.111 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1ccco1 1507643891 VBQXHVXZPIHUGC-UHFFFAOYSA-N 441.289 2.132 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCn2cc(Br)cn2)CC1 1507727477 JCEKKAJZECBPPE-UHFFFAOYSA-N 446.397 2.425 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507797564 DMYDEJTYMYTDAV-SCTDSRPQSA-N 431.562 2.253 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](COCCOC)C1 1507858581 OEPOEZRKYNLSBY-MRXNPFEDSA-N 444.927 2.163 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1508098244 NWWZICIFGNMSFQ-LOPLQLAGSA-N 431.562 2.367 30 10 IEEE CCCN(CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1514686031 GQSQVNRHCKXXEC-OAHLLOKOSA-N 436.358 2.496 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnnn2C)cc1 1516301977 FZCBIONTFZEHKL-VFNWGFHPSA-N 440.483 2.436 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516952687 FKQUEHLFBVOJPG-KRWDZBQOSA-N 442.955 2.038 30 10 IEEE C#CCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 1518092969 AJDLDTMZZNSRJA-UHFFFAOYSA-N 427.526 2.277 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1518691120 KYIVUGODOHUJLX-KRWDZBQOSA-N 448.531 2.224 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2ccc(-n3cnnc3)cc2)c1 1525781786 YLAKIWBDGASGLW-LKUDQCMESA-N 438.513 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)/C=C/c2ccccc2C#N)C1 1534590717 UUZNJWXDJMTLOK-BLGFXRMMSA-N 433.530 2.112 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1539132174 GEAVPLYQRDTVIP-UHFFFAOYSA-N 440.573 2.274 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1539226460 YSQQIVANNQWNFC-SFHVURJKSA-N 448.976 2.451 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1539427642 FSILOSLLKWAKLL-HZPDHXFCSA-N 426.487 2.465 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539631558 MDYPQEJFFTZYAM-QUCCMNQESA-N 439.626 2.223 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1539750817 CULFPAGNLHDYCA-LJQANCHMSA-N 442.564 2.495 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539758857 BDWLHAIIYPIPHP-GOSISDBHSA-N 443.552 2.238 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)(C)C)C1 1540883602 CBDNHEUFILBHJO-MBSDFSHPSA-N 449.596 2.405 30 10 IEEE C[Si](C)(C)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1543120708 CXMPOYGSCSGBNQ-UHFFFAOYSA-N 441.629 2.179 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1552612699 XTDZRUDJFHRDCJ-INIZCTEOSA-N 448.618 2.430 30 10 IEEE CN(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1552748951 FQLVFDCGGRQNFY-GOEBONIOSA-N 434.342 2.105 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1555454649 DMYWEWGHNXQBQG-XMSQKQJNSA-N 443.573 2.460 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1(S(C)(=O)=O)CCC1 1556472338 JCMFCAAMJZIPLH-GOSISDBHSA-N 447.557 2.476 30 10 IEEE N#Cc1cn(CCNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c(=O)nc1O 1557600101 IENXEAIJLKGMCH-UHFFFAOYSA-N 436.653 2.148 30 10 IEEE Cc1nc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2cnn(C)c2)no1 1561602008 FNVAELWFMNTAEV-CQSZACIVSA-N 426.380 2.070 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(=O)OCC 1561828209 HJXZJFULWYMJBU-LBPRGKRZSA-N 440.301 2.488 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(Br)cnc2OC)n1 1565086293 NAWACFIOAWDOLV-UHFFFAOYSA-N 436.310 2.041 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 1570527844 HWXWIUATNJDLRF-IAGOWNOFSA-N 435.546 2.020 30 10 IEEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1585099989 BVWFTOXSRZYVTJ-UHFFFAOYSA-N 449.511 2.305 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588049206 BWPICRRCZLHOHL-BZSNNMDCSA-N 431.537 2.413 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1588059643 RJDUEZBNRBZAIZ-PSHVLCQKSA-N 434.606 2.045 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1588075003 VMBQWGRBXXGVMZ-IBGZPJMESA-N 441.557 2.165 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(Cl)cc1 1588560853 WQLWXWZDKJJPCZ-UHFFFAOYSA-N 431.924 2.333 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nc(C3CC3)cs2)CC1 1588732966 JDXOTGWLPMBIFB-UHFFFAOYSA-N 441.605 2.334 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C2CC2)N(C)C)CC1 1588836089 DZZNUJMXPWNWGJ-OAQYLSRUSA-N 428.531 2.243 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1589296374 RGGDWXLGKRCEIS-QLFBSQMISA-N 433.347 2.151 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1594533934 HEUJOWBIVNJPNR-JKSUJKDBSA-N 428.541 2.264 30 10 IEEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)CCCCOc2cccc(C#N)c2)cn1 1595731326 IZYKPCMVIFDEQV-HXUWFJFHSA-N 430.530 2.229 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595878354 NWVAOYAWAPSTHW-KRWDZBQOSA-N 447.634 2.236 30 10 IEEE CN(C)Cc1nc(C(C)(C)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)no1 1610890110 BLZBWHPCAOVQSG-UHFFFAOYSA-N 447.337 2.253 30 10 IEEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1611159675 MXRQWUTXDCXZLJ-GTNSWQLSSA-N 442.394 2.041 30 10 IEEE Cc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)n1 1612225392 BHJBZOZLBMLRMY-LAUBAEHRSA-N 428.562 2.256 30 10 IEEE CC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1612730246 ZQTXFRDRTISAPJ-KGMDZOMUSA-N 428.537 2.323 30 10 IEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NC(=O)c5cccs5)CO[C@@H]34)n2)c1 1616131102 DLIVVLNUFBBHMY-CUDHKJQZSA-N 433.493 2.453 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1 1618346999 FGQWVDYMQWCOTJ-FQEVSTJZSA-N 445.570 2.267 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1618632961 IFYYKHWRRCAULO-FZEVHQGJSA-N 440.573 2.080 30 10 IEEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1620035923 NEUGJIRISOCSHK-GOSISDBHSA-N 433.553 2.124 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 1627014767 DJJVIEQAAGYCDJ-NQIIRXRSSA-N 432.362 2.010 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCc3c2cnn3CCO)C1 1633366376 FYWNYOXLXLMHDD-QGZVFWFLSA-N 444.333 2.140 30 10 IEEE C#C[C@@H](NC(=O)NCCS(=O)(=O)C1CCOCC1)c1ccc(Br)cc1 1635437186 GOSXEZGMGXJCIW-MRXNPFEDSA-N 429.336 2.016 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 1635672075 CABKEOKYMHTQBV-PXAZEXFGSA-N 441.431 2.094 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2nc[nH]c2c1 1636039449 AMQKLHAKWTVDAO-UHFFFAOYSA-N 425.514 2.478 30 10 IEEE CN1CCN(CCC(C)(C)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1638845063 VWILSUDWLINQLZ-UHFFFAOYSA-N 448.409 2.289 30 10 IEEE COC(=O)C1([C@]2(O)CCCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)CCC1 1639507190 VMYZWNRVXVHCJY-QFIPXVFZSA-N 448.541 2.074 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CCC2)c1 1639935570 YQUNKAJECKPZKZ-JOCHJYFZSA-N 426.538 2.402 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)[C@H](O)c1ccc(C#N)cc1 1640777135 YPNVPTJXDKHHQT-AUUYWEPGSA-N 433.302 2.330 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1)c1cc[nH]n1 1641395564 YPWPDOLDZUDCAN-QGZVFWFLSA-N 428.489 2.290 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c(Cl)cc21 1662242018 ZHQYORPIYQEUSA-MRXNPFEDSA-N 446.916 2.358 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1670411523 NNIVXUSFJHWLFV-KRWDZBQOSA-N 447.513 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(CO)(c3ccccc3)CC2)[C@H](C#N)C1 1681226274 DPSNEHDOKUYTPQ-IEBWSBKVSA-N 428.533 2.481 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C)CC1 1689875324 PTYYUFLRCLJCIO-UHFFFAOYSA-N 438.580 2.425 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1689916460 KQSXXQXUKOVYRH-UHFFFAOYSA-N 443.573 2.067 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1689928874 YXGXLHALHYPZKT-IAGOWNOFSA-N 430.553 2.384 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1689986734 WCNAYIFTCUUVFE-HTAPYJJXSA-N 446.573 2.132 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCOCC2)CC1 1690133877 XHYUYTCZUDPOCX-UHFFFAOYSA-N 425.533 2.048 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn(CCOC)c1 1690193880 UUUFLOJVITZXFW-DHIUTWEWSA-N 442.564 2.202 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690506567 RSBPZIPJGXJCHW-OAHLLOKOSA-N 425.459 2.401 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCS(C)(=O)=O)C1 1690691891 NCMWKQCNBSPQOF-HNNXBMFYSA-N 425.942 2.210 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1697775740 NYLJQFMDOMPSSR-LJQANCHMSA-N 441.511 2.139 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705493955 QZUBDNCZWANAOI-FUHWJXTLSA-N 431.562 2.276 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1705557493 VXBAUHCRAKJEJW-NRFANRHFSA-N 436.560 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705563046 POFNFCHDIFOJSS-WMZOPIPTSA-N 439.541 2.155 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(Cn2ccnc2)c1 1705574546 GSMSARXMRHVGDU-VWLOTQADSA-N 444.539 2.296 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cnn(C)c1 1705679104 BLBGSVKREHTSOZ-HNNXBMFYSA-N 434.342 2.498 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1705843546 IDWOBCRULXXIFZ-INIZCTEOSA-N 430.509 2.176 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705912554 NFYLUSMQUKIKTL-UHFFFAOYSA-N 433.516 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(CC)C1 1705932312 BBXGXWVACHAXDU-OAQYLSRUSA-N 429.546 2.423 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)cc1 1711798768 BNYUOICICFVPQF-RTWAWAEBSA-N 431.537 2.382 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1722281678 ZFTUIRCXVONUFN-IAGOWNOFSA-N 429.496 2.264 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722359713 PRWFVBCUDMJEBD-GOSISDBHSA-N 429.502 2.280 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722401896 CSRMRHWDVBZITM-GVDBMIGSSA-N 425.599 2.189 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCc2nc(C)no2)CC1 1722442815 DCYYZTJLBYNXDF-UHFFFAOYSA-N 437.504 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2OCC[C@H]2C)CC1 1722448733 GIYKQMNYGMJNPU-DYESRHJHSA-N 439.535 2.399 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1722460957 KMSORHCAJZKYHZ-UHFFFAOYSA-N 429.594 2.358 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ncccc2Cl)CC1 1722560001 NXMSYFYBJHMHML-AWEZNQCLSA-N 440.957 2.172 30 10 IEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1722604481 BIKKUWOSNNYKNL-HXUWFJFHSA-N 441.532 2.442 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1 1722630839 VARXCUIHORAUAH-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1722755426 ROCUPHYPBFFMCN-LJQANCHMSA-N 442.589 2.237 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1723209508 LJUMJKCDGQIXTL-VEGAHXMMSA-N 435.532 2.415 30 10 IEEE CCc1nnc(N(CCC#N)CCOC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1727525100 SEUPUTACAKDMJN-SQNIBIBYSA-N 448.568 2.231 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCCCS(C)(=O)=O 1727602281 ICVZVMYFKVSROG-UHFFFAOYSA-N 448.568 2.393 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1728363654 CZAJTQAGYKQASF-OXJNMPFZSA-N 428.537 2.421 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1729226863 BVKMKERAVWJIDI-IRXDYDNUSA-N 446.577 2.150 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730923719 NOGZMDINYTVNJC-UHFFFAOYSA-N 445.483 2.015 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CCC)C1 1740607134 FJFXIDBNQMCEAI-QGZVFWFLSA-N 429.594 2.040 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740619032 LVPWXJHMFFJMSL-RHSMWYFYSA-N 449.558 2.232 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(SC)CCN(C)CC1 1740687001 PWPOVRSGOXHXLG-UHFFFAOYSA-N 428.606 2.177 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(N)=O)CC1 1740764333 DMHFKCRNUUXRBR-JYRKZWEQSA-N 447.580 2.075 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740793462 JQWJVOJOWXYOQM-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740863756 FMEYQDILOFPDDO-KRWDZBQOSA-N 425.599 2.437 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740889995 PXVFDQHDSLCTNG-IKGGRYGDSA-N 448.568 2.063 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1740938070 XHRFYILKTHKWOZ-QGZVFWFLSA-N 444.561 2.099 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(N(C)C)CCSC2)CCOC1 1741725825 VZFDGOLBFNJMFD-FGZHOGPDSA-N 448.637 2.496 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2ccn(C)n2)CCOC1 1741727382 KKSDGNMSOWOBSM-VXKWHMMOSA-N 427.553 2.425 30 10 IEEE CCc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)no1 1744469085 AWYOSSLRDDUVOZ-CYBMUJFWSA-N 428.522 2.054 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748731083 SZLRZYNKINIGFQ-PGRDOPGGSA-N 444.536 2.392 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1748815513 RBPDMYFFBHDVGK-BBWFWOEESA-N 449.602 2.407 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1748816149 XRHDKGCBABDLRX-IBGZPJMESA-N 428.558 2.058 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccc1F 1748847489 UIHWZTTWNVOGOO-KRWDZBQOSA-N 428.533 2.370 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748934948 KAUMCQZWAPNOCJ-UHFFFAOYSA-N 432.532 2.106 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1749670760 VMLIONZOZQQPHS-FQEVSTJZSA-N 440.548 2.157 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccccc2C)C1 1749676648 YFEKSKUALLIJFY-NRFANRHFSA-N 432.528 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1749736997 VWYRDGVKBYBJJC-FQEVSTJZSA-N 445.589 2.118 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nc(C)c(C)s1 1750155375 ZRBXIBGYPHRMSW-BQFCYCMXSA-N 432.550 2.047 30 10 IEEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)o1 1751487095 BYDLYTSGKWECKQ-UZLBHIALSA-N 432.550 2.258 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1=CCc2ccc(OC)cc21 1760175410 JEAZLVGIAAKTCC-GOSISDBHSA-N 426.542 2.288 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(=O)NCc1ccco1 1760245593 JCAMMOMJHBHXDN-UHFFFAOYSA-N 444.495 2.489 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760353458 SHWFUTCRJVIRNH-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCC1 1760500959 ZUOLWJKUTOPKBA-UHFFFAOYSA-N 448.593 2.100 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760520470 ONMLGZFJNZJYPT-UHFFFAOYSA-N 441.536 2.136 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NCCC)C1 1760541836 ANFKVZPUZUTCJX-YLJYHZDGSA-N 441.532 2.488 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC)[C@H](C)C1 1760553672 YGJBVFCNPDUFIN-OAHLLOKOSA-N 438.985 2.125 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1760700694 IEOJRQKZYLHNIQ-JKSUJKDBSA-N 441.561 2.051 30 10 IEEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1764971483 QGNFOMCISDRYAY-UHFFFAOYSA-N 434.552 2.204 30 10 IEEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)C2)ccn1 1853666799 KIMHQSCXGALQMS-MRXNPFEDSA-N 441.387 2.275 30 10 IEEE CC(C)CS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccc(C#N)cc3)C(=O)O2)CC1 1855118511 QEDFYDPYTROKCO-LJQANCHMSA-N 433.530 2.146 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C2)C1 1857469302 SHJBIKUBZCEZRR-GXTWGEPZSA-N 428.386 2.072 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862479625 LVLMEBLKKYDJAB-HXUWFJFHSA-N 436.464 2.496 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(C)c1 1862604584 FLPUBFOQINCBCP-OAQYLSRUSA-N 436.464 2.481 30 10 IEEE C[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1866623804 WWYISLHAZPTWAC-OAHLLOKOSA-N 426.498 2.245 30 10 IEEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(CC)CC1 1868796926 YXQFAPDOHISXTB-PMACEKPBSA-N 445.633 2.474 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871624012 GLFLWWONDMRWCY-UHFFFAOYSA-N 439.564 2.479 30 10 IEEE COc1ccccc1/C=N/n1c(COc2ccccc2OC)nnc1SCC(N)=O 1874289451 FLRBJPWWWHQRHL-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)cs1 1890736312 XGVKPXXRWOICEE-UHFFFAOYSA-N 430.530 2.034 30 10 IEEE CC(C)(C)NC(=O)N[C@@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)C(C)(C)C 1891382798 JWCWNCILWCNVIG-KRWDZBQOSA-N 430.553 2.478 30 10 IEEE CC1(C)OB(c2cncc([C@@]3(C(=O)O)C[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 1952894001 ZZFSNXRUDHLZGR-MBSDFSHPSA-N 438.289 2.402 30 10 IEEE C#CCn1ncc(NC[C@@H]2C[C@H](OC)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2172450047 UIVGLCSBGUOSIS-STQMWFEESA-N 441.326 2.075 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCc1cccc(C#N)c1 2184142935 GWHIXAWARMZTQK-UHFFFAOYSA-N 425.510 2.343 30 10 IEEE C[C@@H](c1cc(C#CCCO)cs1)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2186577304 FNAXAXAQRUYJSO-HNNXBMFYSA-N 446.550 2.101 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)NCC#CCCO)CCN(Cc2ccccc2)CC1 2213568021 YIAOSJHLAMHCKZ-UHFFFAOYSA-N 429.561 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224083566 MMNDPLTWCAMALD-UHFFFAOYSA-N 431.342 2.207 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2247860314 VFBNOVKFBVLQBY-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CN1C[C@H](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](NC(=O)OC(C)(C)C)C1 2254751166 JHQZXZUTWLQPLE-CABCVRRESA-N 437.321 2.106 30 10 IEEE CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255632175 JOIIABURQJJZRT-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C 2255633838 IMNLUKAHMAJWQB-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255712371 MNTJAUPJDKSBJL-YSVLISHTSA-N 431.342 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255871674 NKQPPRTYLKJOOB-IRXDYDNUSA-N 432.326 2.008 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255878940 HVZSTUQZRRACLR-UHFFFAOYSA-N 431.342 2.414 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255880442 GETKDFAXBKZLTO-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@H]2C1 2256626342 IXWMMCUWLNFVFB-KBPBESRZSA-N 429.326 2.432 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267135804 GONTYWTVMVGPOL-HUUCEWRRSA-N 448.373 2.426 30 10 IEEE C[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCCN1C(=O)OC(C)(C)C 2267182298 DUDBSIYDGKKZAK-GOEBONIOSA-N 448.373 2.237 30 10 IEEE Cc1ccnc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267512491 GSUWSBCMKYWMAG-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267601936 DHHSDUGAYJROJQ-KRWDZBQOSA-N 448.369 2.252 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267812515 BTISIMHVEPGFLW-LSDHHAIUSA-N 448.325 2.183 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268670211 TYOMZUYVJXOHKL-GOSISDBHSA-N 446.353 2.368 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)OC1(C)C 2282492108 PRTZGYIMAMRSPG-CYBMUJFWSA-N 443.758 2.023 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCN(CCNC(=O)OC(C)(C)C)CC1(C)C 2316190194 ZXQDTTKYYWKZEG-UHFFFAOYSA-N 440.404 2.146 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2317675169 LDNZLXQPKMEWGN-OAHLLOKOSA-N 434.342 2.255 30 10 IEEE CCOc1cc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 2329045469 FREXDGXJNUHFFN-INIZCTEOSA-N 447.561 2.463 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccccn3)n2)cc1 59038660 UYBDXSGEZXARBL-OYKKKHCWSA-N 425.518 2.495 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 238931122 VCCOUUARLVKIAC-PBHICJAKSA-N 425.876 2.425 30 10 IEEE N#Cc1ccc(NC[C@@H]2CC[C@]3(COCCN(S(=O)(=O)c4ccccc4F)C3)O2)nc1 247711944 KEQRKVGYPDBBMZ-UWJYYQICSA-N 446.504 2.143 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 429547166 KRMFPWLXZXKDLJ-LLVKDONJSA-N 440.813 2.930 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ncc(Br)cn2)c1 431635410 KONOXMCTUSMCCB-NSHDSACASA-N 425.308 2.194 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 479179302 QVLFZEFBGIIEBO-GMAHTHKFSA-N 448.571 2.324 30 10 IEEE CNC(=O)COc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1OC 479342129 KPFGCUACFUDOIY-UHFFFAOYSA-N 436.512 2.108 30 10 IEEE CNC(=O)[C@@H](NC(=O)COc1c(Br)cc(C#N)cc1OC)c1ccccc1 479960003 RHZYGKAMGZFYIV-KRWDZBQOSA-N 432.274 2.312 30 10 IEEE CNC(=O)[C@H](NC(=O)COc1c(Br)cc(C#N)cc1OC)c1ccccc1 479960010 RHZYGKAMGZFYIV-QGZVFWFLSA-N 432.274 2.312 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 505698307 UXCDFYBBCSTSPQ-INIZCTEOSA-N 448.487 2.097 30 10 IEEE C[C@@](C#N)(NC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)cc1)C1CC1 507421963 MUGVAHMKTAZUSO-GOTSBHOMSA-N 425.508 2.245 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2cccc(OC)c2OC)CC1 508955704 IYLZXIRTOQELGW-UHFFFAOYSA-N 448.527 2.430 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c1 512356620 BOWISFOUMLFFBQ-UHFFFAOYSA-N 430.511 2.352 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)CC1 522319876 UMVWMMSWCYVKEC-GOSISDBHSA-N 433.984 2.104 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2F)c1=O 523652380 SXCXWSOLMFUFFI-UHFFFAOYSA-N 432.492 2.487 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCCO2)c1=O 536085850 JVESUHDKCDALRH-OAHLLOKOSA-N 444.578 2.421 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc4c3CCN4S(C)(=O)=O)cc2C1=O 541635461 SGDIZKNJNONNQD-UHFFFAOYSA-N 425.466 2.043 30 10 IEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2nccc(OC)n2)CC1 555238200 GWDKDFVQMQPXSX-IBGZPJMESA-N 449.515 2.492 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 558983006 LYDIQVAYUVDLJS-DLBZAZTESA-N 430.578 2.003 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3cccc(C)c3)cc21 586314685 RLCCXTGEVVTAIJ-PMERELPUSA-N 426.494 2.477 30 10 IEEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)cn2)c1 614706619 GJZFCWMNTYHHKI-LJQANCHMSA-N 435.484 2.007 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2C[C@@H]2CCCO2)cc1 619853168 KJRHNAVEXPVSKB-HBMCJLEFSA-N 439.516 2.292 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCOC1 676727336 QOUUZSXQTVYPNV-CYBMUJFWSA-N 430.476 2.097 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 679755091 JVORJQCDTSIRFV-IBGZPJMESA-N 438.549 2.360 30 10 IEEE N#C[C@H]1CNC[C@H]1c1cc(I)cc(I)c1O 687744324 GEGYLDMCWYLNLH-IMTBSYHQSA-N 440.022 2.428 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCOC[C@H]1CCCO1 734296765 VHKCBQLYIVMASE-IEBWSBKVSA-N 442.541 2.354 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CCCCC2 743908809 IFEVZGMKAHLTTL-HNNXBMFYSA-N 444.557 2.331 30 10 IEEE Cc1cc(Br)cc2c1CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 775429792 LMCZCMUINIGWBJ-ZCXUNETKSA-N 433.306 2.352 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3cc(OC)ccc3Cl)c2=O)c1 776755956 JXEOKYUIXPLWGK-UHFFFAOYSA-N 438.896 2.300 30 10 IEEE N#Cc1ccc([C@@H](OC(=O)c2cc3c(cc2Br)NC(=O)CO3)C(N)=O)cc1 782403297 ZOQRHXVUSHGCMF-MRXNPFEDSA-N 430.214 2.035 30 10 IEEE C=CC[C@@]1(C(=O)Nc2ccn(CCN3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C 790616915 NUTPPDYTQRAKPF-QFIPXVFZSA-N 433.553 2.500 30 10 IEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800774394 XPTQTEKEBWXYOU-QHCPKHFHSA-N 446.603 2.005 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc4ccccc34)n2CCOC)CC1 802527956 HIKOOHJOVUCKFK-UHFFFAOYSA-N 434.544 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)C1 804160940 HDRRAMNCYTWMHN-QFIPXVFZSA-N 430.480 2.173 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 805036632 MDJKKZXKYZFVMB-IUODEOHRSA-N 441.303 2.427 30 10 IEEE COC(=O)c1ccc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)c(OC)c1 807982267 UZLDAMSNAHBAFB-UHFFFAOYSA-N 442.291 2.338 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(Cl)cc1 810472966 AFGSPFKDMGOZNB-KRWDZBQOSA-N 445.306 2.359 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(I)cc2)cc1 916178959 YDPRBMZMHQCMTQ-UHFFFAOYSA-N 426.235 2.423 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N(CCC#N)Cc2ccccn2)C1=O 1136680736 RXWDHNJBRHYVPJ-GOSISDBHSA-N 429.521 2.087 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 1137047303 NXUFLPVIOZBBPN-UHFFFAOYSA-N 431.489 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1141303052 DWROTIIQMNNDJU-WOJBJXKFSA-N 430.549 2.109 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)c1cccc(C(=O)NC)c1 1156044771 HECUUIXDEAILOY-GOSISDBHSA-N 442.541 2.307 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 1185280066 HGNNVFKMYNXFLD-QGZVFWFLSA-N 427.954 2.441 30 10 IEEE C#C[C@@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccc(Br)cc1 1230499125 QZUIJLLXZSPXCL-VQIMIIECSA-N 447.377 2.462 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC2)CCN1C1CC1 1261880100 PSTXIVATUUAADZ-SJLPKXTDSA-N 426.496 2.209 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(c4ccsc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 1279054555 YHLAUJRYUFQLOT-OXQOHEQNSA-N 440.573 2.390 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1286296278 NXIPOBISBUSBPK-IRXDYDNUSA-N 433.553 2.350 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286386625 DZEXKTHSCATNAG-OAQYLSRUSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286388403 OPXDPUFYHLKCPK-LJQANCHMSA-N 428.558 2.267 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388927 CVMLNBUGZASKQV-WOJBJXKFSA-N 445.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)cc2F)CC1 1286473819 YCMWDBFWRINTMA-HSZRJFAPSA-N 427.524 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1286493672 ICXTWNBXSSUOAP-UHFFFAOYSA-N 448.571 2.398 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286499344 LGWNZNDPAPEKNT-OAQYLSRUSA-N 436.585 2.484 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC 1286604488 LMVHRWWFFSXZFE-ZDUSSCGKSA-N 439.358 2.447 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1288775508 FIIOMIHEYMAHTA-PBHICJAKSA-N 434.591 2.149 30 10 IEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1)OC 1292185646 RMOGVFQOCNPTTD-LJQANCHMSA-N 448.531 2.367 30 10 IEEE CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H](C)CS(=O)(=O)CC 1293504039 SEOIVGFLEOGBHM-CYBMUJFWSA-N 442.379 2.429 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c1 1295219137 ZMDVTXPWCXFNGR-HXUWFJFHSA-N 436.493 2.317 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](C(N)=O)c3ccc(F)cc3)C2)C1 1296113965 SWCVMGKMRQPOJF-MMZUESARSA-N 430.480 2.255 30 10 IEEE Cn1ncc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)n1 1298903213 UUYLSWIEONSHEC-FQEVSTJZSA-N 430.438 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1300322404 RPRIWGQCFIEKCT-OAHLLOKOSA-N 448.552 2.062 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300489748 RQWWAODKLDOBQU-PMACEKPBSA-N 427.574 2.056 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOC1 1300643864 VLCFTNBEKGOXJS-AEFFLSMTSA-N 449.552 2.094 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC)C1 1300742823 BBJMWTGRUIWNGC-INIZCTEOSA-N 428.518 2.182 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1300760394 AFWOCLZLLPDUOB-LJQANCHMSA-N 431.606 2.377 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1300778748 HGFARRNIEHVORS-DNQXCXABSA-N 436.560 2.206 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1300801943 WXRDYOBVPPEUIS-GBXCKJPGSA-N 436.560 2.210 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1300900979 VGXOCXXVSBFZLR-MGPUTAFESA-N 439.557 2.338 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1301046860 FHFSJAIXCXJXJJ-OAQYLSRUSA-N 442.539 2.350 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C[C@@H](C)O1 1301404702 FTWFHDRFAHLLJD-UZLBHIALSA-N 438.488 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@@H](C)C1 1301587400 ZFPQTONTGVYSJA-GJZGRUSLSA-N 435.550 2.089 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)c1 1302236934 PUWYPQZCIKHYAH-UHFFFAOYSA-N 438.546 2.097 30 10 IEEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1302805009 GDAIFHLGDUYDDX-FHWLQOOXSA-N 435.594 2.371 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2cnnn2)C1 1302980333 OVSNLEWDZGODIT-QGZVFWFLSA-N 446.288 2.226 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC[C@H]1C 1303898830 CBDVJEYVANWQJE-UWVAXJGDSA-N 444.511 2.007 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C3(OC)CCC3)nnc12 1306857654 KVCQWGFXORYWPZ-CQSZACIVSA-N 427.530 2.396 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OCC)c1ccc(Br)cc1 1309531880 RPWLIHCOQNNWCD-CYBMUJFWSA-N 426.292 2.310 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1312729299 YDPDOAJGOQBAOU-MOPGFXCFSA-N 427.505 2.306 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1=CCCOC1 1314387927 CMSSZWRMZKEKGP-UHFFFAOYSA-N 426.496 2.499 30 10 IEEE COC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1315801427 BLYPTDGRUGMAPW-HXUWFJFHSA-N 439.564 2.265 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2ccccc2OC)CC1 1316211301 SKBHCNPOJIARDD-MSOLQXFVSA-N 441.532 2.471 30 10 IEEE C=CCc1cc(CNC(=O)CSc2nnnn2CC(F)(F)F)cc(OC)c1OC 1356305558 VPOQRCUUICHEDN-UHFFFAOYSA-N 431.440 2.390 30 10 IEEE Cc1cnc2c(cnn2CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 1357484519 RNYRAYUKOXYFCK-HKOYGPOVSA-N 426.502 2.191 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCOCC1 1358875305 NCYCYRFUGIVFQM-LSDHHAIUSA-N 435.370 2.462 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1359027743 UTBFUWRVABGOKR-UYAOXDASSA-N 437.548 2.307 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1359064353 QUTXSPIFJCSBNP-HRAATJIYSA-N 431.562 2.132 30 10 IEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359118415 IKBVHKQRGCCPHC-UHFFFAOYSA-N 433.516 2.350 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359183405 KOCBKWSKYGMZRK-WCXIOVBPSA-N 425.599 2.352 30 10 IEEE CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359972770 APGRMYPNHCQWRX-ZZEZOPTASA-N 439.476 2.472 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1435553216 QPNQRRFMTYAZMH-DLBZAZTESA-N 441.536 2.363 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(I)cc2OC)CC1 1436234667 JLSYFUJCMYTDCK-UHFFFAOYSA-N 428.226 2.219 30 10 IEEE C=CCc1ccc(OCC(=O)NCc2nn(C)cc2I)c(OC)c1 1436287336 GKLSUSOKDCDIBO-UHFFFAOYSA-N 441.269 2.457 30 10 IEEE CN(C)CCn1nccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1441885423 BUZSWKDRSZPBSG-HIXSDJFHSA-N 446.577 2.290 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1470959198 JSIJKJKKXMVQAH-IKGGRYGDSA-N 429.414 2.410 30 10 IEEE C=CCOc1cccnc1C(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1472077136 CSCRWKYRMLGNGU-HNNXBMFYSA-N 431.489 2.129 30 10 IEEE N#Cc1cn(CC(=O)C2(NC(=O)C(F)(F)F)CCCC2)c2ccc([N+](=O)[O-])cc2c1=O 1472987858 BCIIIWKSMVEZHG-UHFFFAOYSA-N 436.346 2.342 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C[C@@H](C)O1 1473641152 GUDDNNTWTGKKRA-IERDGZPVSA-N 436.512 2.429 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)s1 1498554382 DXKLHCUEMKAARY-UHFFFAOYSA-N 438.561 2.047 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1 1503634283 AEBHDMYDXFGJJY-FQEVSTJZSA-N 445.570 2.267 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1OC 1503806570 FBTLBNYZPLUHHY-PKOBYXMFSA-N 426.521 2.116 30 10 IEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1503928751 CEKPGGLRIJUXQR-MRXNPFEDSA-N 448.487 2.481 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1507619428 LPUKANFTHFPRTQ-SFHVURJKSA-N 432.569 2.142 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634204 MGBZKNPTWBWTRQ-PMACEKPBSA-N 446.548 2.060 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCn1cnc2ccccc21 1507642791 ZQLFPWYYKRVPLY-DEOSSOPVSA-N 432.528 2.443 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1507780869 HOMCNMFUKKWETL-UHFFFAOYSA-N 436.310 2.149 30 10 IEEE C=CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1507990574 QZLMVFQRTQUZSX-UHFFFAOYSA-N 432.546 2.048 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCN(C)C2)C1 1508131073 YIRAJHGQCRTFAV-LVBDUCALSA-N 433.597 2.045 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC(C)(C)C1 1509002089 KAYLPNKOEYAVFV-UHFFFAOYSA-N 438.580 2.106 30 10 IEEE C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1510049819 CLYAQJCQMFNSME-ROUUACIJSA-N 441.555 2.460 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1515673620 GHLIDYIYPBEIDD-FQEVSTJZSA-N 441.532 2.276 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539065778 KNUIKTLJZDVGFY-NNWRFLSQSA-N 442.608 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cccc(Cl)c2n1C 1539230100 BZTAZAALFWSAHO-UHFFFAOYSA-N 435.919 2.175 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CCNC2=O)CC1 1539612592 ODRYHZIENYCFJD-CQSZACIVSA-N 425.331 2.032 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539759392 SQTOVRSXWLCBTC-GOSISDBHSA-N 434.562 2.382 30 10 IEEE CN(C[C@H]1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O 1539816249 STSJOELLFPYSFO-IAGOWNOFSA-N 444.598 2.094 30 10 IEEE CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540660850 CIHPXADLYVCPHN-UHFFFAOYSA-N 428.836 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 1540805723 MFGUYALXTLFEJT-HSZRJFAPSA-N 440.500 2.330 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2F)CC1 1540872809 BBGUBVQJHNJOKB-UHFFFAOYSA-N 435.507 2.032 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 1540891897 BBVSSXRBBWXBTD-STQMWFEESA-N 440.513 2.215 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC(C)(OC)C1 1540901321 ZUNJDFNZQDHRSI-UHFFFAOYSA-N 429.546 2.263 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1540998791 WWIZOPLCZUILAO-FQEVSTJZSA-N 438.532 2.212 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)o1 1545289874 NLUKLTGUCIGKDN-AWEZNQCLSA-N 427.461 2.259 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1545877566 GAUUBTIIMWQFNX-JOCHJYFZSA-N 447.559 2.287 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cc[nH]n1 1556106997 ZYZNWPDECQVNFG-FQEVSTJZSA-N 436.468 2.210 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 1558361345 TXOMQBRTFUCRJC-UHFFFAOYSA-N 440.521 2.182 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 1558989591 OZYYHSWAINDKLW-QGZVFWFLSA-N 432.299 2.090 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CCO)c3ccc(Cl)c(F)c3)CC2)o1 1560067704 SWQGJODAHVFTIF-QGZVFWFLSA-N 435.887 2.009 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1564847342 LCIPHFBCYJDBON-PMACEKPBSA-N 436.597 2.435 30 10 IEEE Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc(S(C)(=O)=O)c1 1583145828 AGMUGMXSXNWAGW-GOSISDBHSA-N 440.481 2.114 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCc2c(C#N)cccc21 1586685031 CAFKQMHHZAAVBN-UHFFFAOYSA-N 441.509 2.181 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1587615864 ZRZFBQAGSOTUHF-DLBZAZTESA-N 440.573 2.319 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnccc1OC 1587975004 JDFYMAFGENYQKH-UHFFFAOYSA-N 429.484 2.196 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC1CC1 1588011830 LOILJHBZCNZOGM-UHFFFAOYSA-N 432.322 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588118091 YDODGVFKFBQKHJ-UHFFFAOYSA-N 448.502 2.412 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(OC)OC)c1 1588128094 CEYHODUVOXJHEV-UHFFFAOYSA-N 447.495 2.418 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1588813414 XNJBKNBZEYWECM-NJYVYQBISA-N 444.624 2.163 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1589442508 AZINFMJOBDMWDL-UHFFFAOYSA-N 438.374 2.399 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCS(=O)(=O)CC2)CC1 1594429859 CKXMDRYKYVSHSG-UHFFFAOYSA-N 432.594 2.367 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1594802705 FTZOGXVBPWGMQQ-UHFFFAOYSA-N 425.537 2.317 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](C)(C(N)=O)C1 1595659462 ZFDVJXBVQSUBKK-MBSDFSHPSA-N 425.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccccc1F 1595824247 ZXALGMMZKCCOHJ-INIZCTEOSA-N 449.552 2.338 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595866456 LOBJYWNFWWKELF-MJGOQNOKSA-N 431.610 2.145 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1596782208 GVISMPXCHIJMSE-HUUCEWRRSA-N 443.533 2.187 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1615905248 KKDYKUINTVIWBW-FQEVSTJZSA-N 429.456 2.458 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1618528943 MEDXEIPPOUSKMN-FCHUYYIVSA-N 432.569 2.221 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1619779094 CFKOLJBJCIEKFA-JOCHJYFZSA-N 429.521 2.131 30 10 IEEE COCC[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619806064 YZTBACUBUNKCEE-KHOFPDMRSA-N 442.564 2.400 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2CCOCC(F)F)c1 1620348905 JBPJXAPSCQNMAP-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1620357776 PFDBWCKASYLVKD-SFHVURJKSA-N 439.495 2.126 30 10 IEEE N#CCc1ccccc1S(=O)(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1621761272 BCHKQWUGQLEUTK-UHFFFAOYSA-N 432.933 2.033 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cn2)cc1S(=O)(=O)NCC#N 1627881041 GRXISXGASXYYQY-UHFFFAOYSA-N 430.486 2.400 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1630950794 MMLMMTLWPZKJNS-AEFFLSMTSA-N 449.523 2.162 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1c2ccccc2C[C@@H]1CO 1632535606 QUVCZWHFYDQEJT-QGZVFWFLSA-N 427.526 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 1634569360 OAOUHJGBFPZXRY-SFHVURJKSA-N 448.951 2.421 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)C(=O)OC 1638826969 PCCKVLZGNVWUCS-SFHVURJKSA-N 430.482 2.099 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC2(O)CCN(c3ccccc3)CC2)cc1 1642466246 DBSMPQYKZISFCI-UHFFFAOYSA-N 441.553 2.011 30 10 IEEE Cn1ncc2c1CC(C)(C)CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2 1643999809 AEIPEJLBEBAGFI-IBGZPJMESA-N 426.590 2.275 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(-c3cccc(OC)c3)no2)c1 1647744780 GCOXAJROUBUKOD-UHFFFAOYSA-N 425.466 2.192 30 10 IEEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H]1C 1648936583 GWMRRRWQRWPGTH-YYAJDYIMSA-N 435.546 2.235 30 10 IEEE Cc1csc(C[C@H]2CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1654815805 POZAHXIZSJXDDM-QGZVFWFLSA-N 428.562 2.223 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 1655924223 FIWAQQHYFDHEAA-UHFFFAOYSA-N 433.280 2.323 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)cc1 1665969783 QKFMCKSQIUPZRV-LJQANCHMSA-N 430.486 2.362 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](Cc1ccccc1)c1nccn1C 1674097612 IATPIYQEURBKBM-HKUYNNGSSA-N 430.516 2.286 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 1683350777 ZCBSLFSFLIKJRM-QGZVFWFLSA-N 447.511 2.260 30 10 IEEE CC(C)O[C@]1(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1 1685338141 JCDUWXBQJWYDMV-NRFANRHFSA-N 429.477 2.222 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689864772 HZRIZDYLIBOZOP-ROUUACIJSA-N 445.589 2.159 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1689938545 OWSBUIZNDVSDJL-OAQYLSRUSA-N 434.544 2.301 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689994442 YGJORUNYRUPXQA-HXUWFJFHSA-N 435.638 2.368 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCN(CC)C2)CC1 1690117494 JIYDNPQFSWQJSS-LJQANCHMSA-N 438.576 2.059 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 1690513989 PMXPSRJFVSGGRV-UHFFFAOYSA-N 439.907 2.026 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC#N 1690670852 KKRLBHFODMWZAS-MRXNPFEDSA-N 445.568 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1690715534 NSSSDCNIZWQEPE-IAGOWNOFSA-N 447.609 2.314 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1698255525 UDMSHURCRVGXGL-KLJBMEJHSA-N 446.596 2.241 30 10 IEEE C[S@@](=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCC1 1698321302 FCJCWNYJZKXLDT-NGFNCXNUSA-N 435.500 2.177 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H]([C@@H]4CCOC4)C3)n2CC(=O)NCC(F)(F)F)c1 1698484244 HEZDMSJFPWCHRT-IAGOWNOFSA-N 448.449 2.358 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1F 1705476755 DWQHMPVIVHFAQF-CVEARBPZSA-N 436.557 2.012 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1705566931 RTVAQWZCBPFHGR-SFHVURJKSA-N 445.495 2.421 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705611045 NWXXOILWCIITSB-NRFANRHFSA-N 431.544 2.486 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1705698354 SKDODKSOMOCQHE-POAQFYNOSA-N 445.568 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC(C)(C)[C@H]1C 1705900849 RRALNYXEFHYJOE-QGZVFWFLSA-N 435.532 2.437 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1705909210 QDOKVLYGHNKUNF-SFHVURJKSA-N 436.560 2.142 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)CCS(C)(=O)=O)s1 1709018343 FLQXTPVKYSSMBT-UHFFFAOYSA-N 445.574 2.150 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 1711085444 HTBDVWZOZCMVIB-FQEVSTJZSA-N 436.541 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CCC1 1722295748 LONMBDSZTVSTGZ-AUMHUTNHSA-N 441.605 2.211 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722354280 MTCFKFUQMNTZSV-RTBURBONSA-N 435.576 2.474 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)C(=O)C1 1722529418 SFDFFVMPOKSNIE-UHFFFAOYSA-N 449.353 2.439 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)CC1 1722581257 ISGIEDZIDHNXBO-HOTGVXAUSA-N 428.649 2.431 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1722671706 BQEBBJQZJDNLDK-LJQANCHMSA-N 443.573 2.157 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCC)C1 1722699651 WSSRHRDHPNBAFP-QFBILLFUSA-N 427.505 2.098 30 10 IEEE COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)cc1OC 1730062022 QLPYWZKVMHJFCS-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE COCCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730677280 KWBKGYHYQFDJLM-KRWDZBQOSA-N 435.536 2.087 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCC1(O)CCOCC1 1730944026 JLYHKDCQFQSUOZ-OALUTQOASA-N 433.553 2.064 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCOC2)C1 1731181382 OESNVYVPKFWCCH-QZTJIDSGSA-N 436.285 2.301 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1740625307 NDLFEOWQZBEHEE-IBGZPJMESA-N 446.548 2.227 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)N(C)C)c1 1740675407 ARWXJRYRLIDECI-SFTDATJTSA-N 439.560 2.406 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2c(F)cccc2OC(F)F)CC1 1740695173 HNAXVAMPIRCDGY-UHFFFAOYSA-N 443.433 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](CC)OC)CC1 1740703694 BIFLFOCBXIYUIK-GOSISDBHSA-N 425.533 2.345 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1740802217 JRYCUWOTYPNLMH-INIZCTEOSA-N 438.985 2.276 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1740905172 MAYBTXXPYOAEKM-KURKYZTESA-N 434.585 2.392 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1740927113 RBRJKNBXTSDPSV-QUCCMNQESA-N 440.596 2.044 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2cccn2)CC1 1740953673 NNVHENVTTLWWQY-UHFFFAOYSA-N 435.532 2.369 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)C1 1740980787 MTCVXQDSFZIAKN-QZTJIDSGSA-N 438.594 2.047 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740992050 LWIUYNBSSGBMAG-QGZVFWFLSA-N 436.582 2.228 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C[C@H]1CC 1740995597 QSVUIALOASONKG-XDNAFOTISA-N 426.583 2.228 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1748672673 WNYIQVCHORGZPM-BXTJHSDWSA-N 436.965 2.199 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1748686487 QBENIFVPRNYNKC-FUHWJXTLSA-N 427.530 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(CCCCC2)O1 1748863644 BVHNKSUTXJARBC-RBUKOAKNSA-N 447.605 2.233 30 10 IEEE COc1cccc(Cl)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1748959059 DAMWEIPAGISCJO-UONOGXRCSA-N 437.953 2.486 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1749458629 JFTXHOPVOWMRCH-KRWDZBQOSA-N 436.472 2.389 30 10 IEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1)C1CC1 1749527663 MVYLLNQPURYCDJ-UHFFFAOYSA-N 436.516 2.166 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCOC2(CCC2)C1 1749680116 DNZFNLWCZMQAJB-UHFFFAOYSA-N 425.533 2.481 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1750075768 HMMHVEIAQJLABD-IXDOHACOSA-N 445.568 2.267 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1C 1751190579 DGWNMHKYNCKDHL-BXWFABGCSA-N 446.577 2.069 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)[C@@H]1C 1752458839 JNSNNQCZGOKGLC-KEYYUXOJSA-N 439.545 2.135 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760138074 QUEKEHOOAZMVGN-OALUTQOASA-N 449.621 2.116 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159460 HPPFTNBWBKIODH-HSZRJFAPSA-N 446.596 2.362 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1760233400 MLCKYLSNSSTFLP-OAHLLOKOSA-N 428.514 2.443 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1(O)CCN(C(C)C)CC1 1760250611 LRPWAXJHEYLWQS-UHFFFAOYSA-N 439.604 2.499 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](OC)C2CC2)CC1 1760254732 IRORGQOEARWMSJ-NRFANRHFSA-N 425.533 2.143 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760357773 NHZQYCXQMGBINZ-APWZRJJASA-N 427.505 2.050 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760384564 CKIMXPCVVIMRCF-XDOYNYLZSA-N 429.484 2.500 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1760494197 JMZDTOJDEMUKNJ-DEOSSOPVSA-N 447.543 2.332 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC2)CC1 1760526382 MNIODWBMEDEWLS-UHFFFAOYSA-N 438.576 2.451 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC(N)=O 1760551408 DRPYAGODDQXCHY-LBPRGKRZSA-N 443.932 2.039 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1761541992 ANOYILPDUPRPPZ-QFIPXVFZSA-N 441.536 2.441 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)c1ccccc1 1764187192 GEJCYTNCXYRFIG-FXAWDEMLSA-N 439.564 2.450 30 10 IEEE CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1764256561 WUJIBXAXVGZUOQ-RTBURBONSA-N 425.537 2.190 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1767205554 RKSAOUYMTKAILM-BJFAEBDGSA-N 426.521 2.449 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CC2)C[C@H]1O 1767919895 HIYVHBSOMXBABS-IAGOWNOFSA-N 427.530 2.073 30 10 IEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nncn2C)c1 1768406401 HVBBVTHFQWCTMM-LBPRGKRZSA-N 445.325 2.489 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1768752439 AFTBPCYBTSZPCA-UHFFFAOYSA-N 449.490 2.455 30 10 IEEE COc1ccccc1OCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1768984835 NXJPTRPXWZZTFM-KRWDZBQOSA-N 436.472 2.266 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1769275723 KKFQMJBGCCRSGF-IBGZPJMESA-N 439.495 2.420 30 10 IEEE COC[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769424650 VMMFWVWKOXORKL-WXVFVKJXSA-N 436.516 2.334 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCCC1 1770308373 CSRQJXFKSRIHRY-OAHLLOKOSA-N 433.509 2.170 30 10 IEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)cs1 1770872626 CXRUUENHFBOQHD-UHFFFAOYSA-N 426.502 2.217 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1CCC2(C1)OCCO2 1771113204 MWOQCCMSASCRTI-IBGZPJMESA-N 426.521 2.174 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nc2c(s1)CCCC2 1771223774 YANCIXDXIUEYFZ-HOTGVXAUSA-N 446.577 2.309 30 10 IEEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(C)C)[C@@H]1CCN(C)C1=O 1849206091 XYUVDOQTZUDNFF-IAGOWNOFSA-N 445.944 2.027 30 10 IEEE COc1cccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)CC2=O)c1 1849696156 VYYQQCNMTHGJMR-IBGZPJMESA-N 438.528 2.049 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)OCCCN2CCCS2(=O)=O)CC1 1850451474 DCULXRCFYAQVOW-UHFFFAOYSA-N 442.541 2.292 30 10 IEEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 1852569206 YOXVBGGRMPHNMF-MRXNPFEDSA-N 430.858 2.174 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1)c1snc(N2CCOCC2)c1C#N 1852637323 GOLMYRBFEWZBPS-CRAIPNDOSA-N 443.504 2.173 30 10 IEEE Cn1ccnc(N2CCC[C@H](N(Cc3c[nH]nc3-c3ccc(F)cc3)C(=O)CC#N)C2)c1=O 1853489262 XMQMSQGXFVXRHM-IBGZPJMESA-N 449.490 2.221 30 10 IEEE C=C[C@H]1CCCCN1[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1=O 1855405819 YYLBUWZZGBEVHW-PXNSSMCTSA-N 434.558 2.417 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2csc3c2CCOC3)CCN1CCOc1ccc(C#N)cc1 1855944855 VWILKTLLAKYWJC-OAHLLOKOSA-N 425.510 2.444 30 10 IEEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870387203 UWTLRNIKWFGKBZ-JOCHJYFZSA-N 445.947 2.464 30 10 IEEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN(CCO)CCO 1870454324 MUAKZCXRDNLJMH-UHFFFAOYSA-N 430.545 2.231 30 10 IEEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871507833 ZZRVKXJORIBCKQ-UHFFFAOYSA-N 431.566 2.321 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(Cc3ccccc3F)nnc2SCC(N)=O)c1 1874375501 ZHOJXIDYWIIXTD-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE N#Cc1cccc(NC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c1 1891164200 WHTRLJUKTXIYGX-UHFFFAOYSA-N 425.456 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060634881 FHLIGCXLHSZEAG-NXOAAHMSSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060640176 QQFSCLAVBWHCDH-YNZWCRRESA-N 436.358 2.299 30 10 IEEE CO[C@@]1(CN(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCOC1 2186276879 MCGZNGGXWSHTTC-GOSISDBHSA-N 427.148 2.385 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCO[C@]2(C#N)C1 2216015965 ZWUNGAFSNITLOU-SELNLUPBSA-N 428.533 2.153 30 10 IEEE CC1(C)OB(c2sccc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247834764 ASTMZUVULGSHDW-QGZVFWFLSA-N 432.273 2.330 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628423 HXULPWAQAHMUPG-CQSZACIVSA-N 434.346 2.180 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255629071 QJDCHBUFCHVZDU-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255631477 ZKOSGOHFKBERRY-CQSZACIVSA-N 434.346 2.228 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](C)CN1C(=O)OC(C)(C)C 2255633000 VEUIVLJAKVZMFF-KGLIPLIRSA-N 434.346 2.179 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644674 BLXAMZPTRPTJHI-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255838467 GWQXBODRXNYQKE-NSHDSACASA-N 447.288 2.116 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256617097 GSNHFJDGBXHQPL-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2256911767 HBRSYYRRXCZECY-INIZCTEOSA-N 444.362 2.362 30 10 IEEE Cn1cc(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129496 BSAFIBCSSMRQTQ-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CO[C@@](C)(CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)COCc1ccccc1 2267167638 JAPMBNVWGMAOFP-QHCPKHFHSA-N 441.337 2.128 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 2267183902 QVACPTSQWGASRZ-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267186393 JBJQAESMMFHLSO-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267291574 RWXHOYWGXILSHK-QWHCGFSZSA-N 444.259 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2267488990 WCEXAZKILMHSEF-FPTDNZKUSA-N 448.325 2.087 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267498407 UGWONFPTKUWGLQ-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529729 OYUAIIJEKLCTNT-IBGZPJMESA-N 438.381 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267568508 IUWMZPLFVLHGRS-INIZCTEOSA-N 449.357 2.070 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2267604157 LCZCNTSXLVOPJJ-QGZVFWFLSA-N 440.353 2.324 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)CN(CCO)C(=O)OC(C)(C)C 2268639380 ODZFCTDMLRVEDY-UHFFFAOYSA-N 448.369 2.174 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268654508 AHHUXDWRPIUJQS-PBHICJAKSA-N 447.341 2.344 30 10 IEEE COC(=O)C(C(=O)OC)C1=CC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O 2297328631 RMWHGIVDSNHWGE-UHFFFAOYSA-N 441.461 2.258 30 10 IEEE COC[C@H](COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)NC(=O)OC(C)(C)C 2304805241 OVBCUMXOVXOSTE-CYBMUJFWSA-N 426.294 2.438 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2c(I)cnn2C)C1 2307973652 RKVCEVIEZQYMFV-UHFFFAOYSA-N 444.273 2.270 30 10 IEEE CCOC(=O)C(=O)NCc1ccc(/C=C2/C(=O)C(C(=O)OC)=C(C)N2c2ccccc2)o1 3672199 KIGQCMMNTYEGTE-PDGQHHTCSA-N 438.436 2.336 30 10 IEEE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826116 GFVOJLKDFBMJRT-HAVVHWLPSA-N 448.520 2.134 30 10 IEEE COc1cc(/C=N/Nc2nc(SCCC(=O)NC(C)(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59820628 BDPRDQIRCOYCLX-GIJQJNRQSA-N 437.482 2.270 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2cc3ccccc3[nH]2)cc1 463642716 GZNWKRBFZUZFTD-IBGZPJMESA-N 433.493 2.310 30 10 IEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 464478069 UCCVDBCBHPVARW-OAHLLOKOSA-N 438.303 2.400 30 10 IEEE CO[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(F)cc1 466806180 ZLJHUXQFHBLQAB-IBGZPJMESA-N 446.504 2.101 30 10 IEEE N#Cc1ccc(OCCNC(=O)CNC(=O)c2ccccc2I)cc1 474097266 MKMFTYWWHXZQED-UHFFFAOYSA-N 449.248 2.088 30 10 IEEE N#Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)ccn1 476393279 QQHYNULXZMCMLL-UHFFFAOYSA-N 428.290 2.112 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C#N 505639634 QDOZNAOLGZEAEI-UHFFFAOYSA-N 445.548 2.321 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)cc2)c1N 505874739 MZQCZBHDFPMBOX-GOSISDBHSA-N 442.458 2.469 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 509000029 ILWDBNOXWHDTQM-NRFANRHFSA-N 442.545 2.020 30 10 IEEE Cc1nn(CCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c(C)c1[N+](=O)[O-] 522584113 KWXHBDBYFDBYHL-INIZCTEOSA-N 428.474 2.210 30 10 IEEE Cc1nc(CN2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)n[nH]1 543658394 RYPUOEXJJIEIMK-UHFFFAOYSA-N 425.884 2.174 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 549668547 ZLZMLIZFIXNZHC-GOSISDBHSA-N 433.578 2.241 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)c1 566811456 UMOJUCLNSFWNIQ-UHFFFAOYSA-N 426.502 2.050 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1C#N 572658410 PSLFMHHGMRZUCL-SFHVURJKSA-N 442.520 2.095 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3NS(C)(=O)=O)cc2C1=O 615737439 UWHCTEPUCQOEMF-CYBMUJFWSA-N 427.482 2.331 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCOC1 676727824 YJTKRKPITHXEMZ-HNNXBMFYSA-N 428.941 2.472 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCOC(C)(C)C)C1=O 730137353 FNLKZXVNYWXJBH-SFHVURJKSA-N 445.589 2.373 30 10 IEEE C[C@H](C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCOCC1 756413729 MFPANWGQNZKILE-HNNXBMFYSA-N 442.472 2.061 30 10 IEEE C#CCN1CCC(C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)OC)CC1 759841011 UBHKDPAZXNLCBN-SFHVURJKSA-N 446.345 2.476 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 771278821 ZKCSTBXLOQWGJS-AWEZNQCLSA-N 437.518 2.168 30 10 IEEE C#CCN(C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 774035784 NSPGZXVOKJKFRJ-IBGZPJMESA-N 441.509 2.358 30 10 IEEE N#CCN(C(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)c1ccccc1 780254383 DDWJJNACWPSXDI-HSZRJFAPSA-N 437.452 2.172 30 10 IEEE CCOC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783804075 AGBAVKXHIMYJJT-ZDUSSCGKSA-N 449.330 2.402 30 10 IEEE CC(=O)N(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 786315759 PHYSUEMKJQPKRK-FQEVSTJZSA-N 445.479 2.428 30 10 IEEE CC(C)CN(C(=O)COC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CCS(=O)(=O)C1 789123219 CKUOIENECMVOHW-KRWDZBQOSA-N 445.497 2.042 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)cc1C#N 793012528 YLIFDBRKZIXQEW-UHFFFAOYSA-N 444.875 2.186 30 10 IEEE COC(=O)c1ccc(C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)nc1C1CC1 849078233 KPZZNXINIQPXMV-INIZCTEOSA-N 429.521 2.126 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4onc(C(C)C)c4c3)CC2)o1 915375067 KFTBUZJDXHOBCV-UHFFFAOYSA-N 438.444 2.020 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 919161669 VVTQCUSWPBWJIP-STQMWFEESA-N 428.411 2.260 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)c3cccc(OC)c3)n2N)cc1 1084423050 ABQSUFJMYAMHPR-UHFFFAOYSA-N 440.485 2.208 30 10 IEEE C=CC[C@]1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCCN1C(=O)OC(C)(C)C 1124724151 JMWGCWYWFOPQPJ-OAQYLSRUSA-N 430.509 2.402 30 10 IEEE COc1cc(OC)nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)n1 1125239121 WOMBIIJHUBEXRX-LFVJCYFKSA-N 447.517 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1126394114 DJMQYQFPTLHXKZ-MJGOQNOKSA-N 444.532 2.370 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C(C)(C)c2ccc(C#N)cc2)cc1 1127067439 HWCGNNYGSQRAPF-UHFFFAOYSA-N 428.510 2.240 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)CC1 1128436092 IOURTZHSGRZSAK-CMOCDZPBSA-N 435.524 2.092 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 1143100936 BQCPPGIACZQENC-OAHLLOKOSA-N 430.486 2.213 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)cc1 1150280630 SMTZZFRJGRBIPR-UHFFFAOYSA-N 425.825 2.490 30 10 IEEE COc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)cc1C#N 1153351297 GPFLIPGQAJNJSC-IPALMDDQSA-N 435.402 2.169 30 10 IEEE COc1nsc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 1153866683 QSDKUFJBFYXJPA-RKDXNWHRSA-N 431.312 2.403 30 10 IEEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OCC 1158280570 KLCGZKHJQSJDFO-MDZRGWNJSA-N 438.546 2.112 30 10 IEEE Cc1cccc(C#N)c1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1190003514 XUUICQGQWFYZLR-UHFFFAOYSA-N 445.566 2.296 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cc1 1252459594 TYUOAGHFPOVCOO-HOTGVXAUSA-N 440.305 2.139 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1286481860 JMRWFVBGMCPUMI-NRFANRHFSA-N 435.601 2.384 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1OC 1286569443 PYJQGWKCVJYSRA-AZUAARDMSA-N 438.536 2.375 30 10 IEEE C=C(C)Cn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1286584967 YOHWNLAKTFQZQA-INIZCTEOSA-N 439.582 2.071 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](F)COC)C1 1286803395 HCGBPRMTYMVAOU-DLBZAZTESA-N 438.525 2.114 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286817130 KBOZODMXCVWVCR-PGRDOPGGSA-N 445.589 2.123 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1286971308 HULZDTGVYWHWOW-PONJGIIJSA-N 445.568 2.424 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cs1 1290418230 SJUSSBDFHLFISP-CRAIPNDOSA-N 438.554 2.043 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1300272516 NGUPYNGROCJDAQ-MMEWPQADSA-N 433.965 2.231 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300489150 JMLILFZVQWZEPT-SFHVURJKSA-N 425.514 2.225 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300496689 TZKWOUUDZWVAPC-SJORKVTESA-N 434.949 2.110 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cc(C)no2)CC1 1300729307 VCVQFKWLYUFWIA-UHFFFAOYSA-N 432.528 2.374 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCC(O)(C(F)(F)F)CC1 1300741415 WFUUEPVFESYXRA-AWEZNQCLSA-N 436.500 2.262 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300974907 PJVSCSGJAILLGK-SFHVURJKSA-N 449.533 2.459 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCC(C)CC2)CC1 1301105261 GGAVPLHYERPGTC-QZTJIDSGSA-N 438.642 2.411 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1Nc1cnn(C)c1 1301586315 KIUMYMJROBSWEQ-UHFFFAOYSA-N 425.518 2.359 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1301588971 NAUCCSZZOXMNKU-UHFFFAOYSA-N 441.642 2.015 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301610297 UWSSBFNXUDPNEV-LAUBAEHRSA-N 431.537 2.385 30 10 IEEE C[C@H]1CN(c2ccc(Cn3c([C@H]4CCCO4)nnc3N(C)C[C@@H](C)C#N)cn2)CCO1 1301981562 MBWKJYZYAUALPF-JENIJYKNSA-N 425.537 2.394 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1303751189 HSKOOFMRAJFIRO-IERDGZPVSA-N 445.568 2.443 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1305315213 WBCHOGMJLHLCOT-LZJOCLMNSA-N 427.461 2.004 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CCCOC(F)F)c1 1316530635 XDXDPDWYETXGMD-KRWDZBQOSA-N 445.474 2.486 30 10 IEEE COc1cc(OC)nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)n1 1354586384 HWPJZHYODQTBSO-JLPGSUDCSA-N 447.517 2.339 30 10 IEEE C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1357404295 BHKZHCKLIBMMJC-CQSZACIVSA-N 436.511 2.048 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1358925966 XJLFBILWUPUFCO-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN(CC)CC)[C@H]1CCS(=O)(=O)C1 1358963160 CUXWHBHPFRJUHA-NRFANRHFSA-N 443.617 2.357 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1358979269 HYMMZZJPYMWKIX-OALUTQOASA-N 443.548 2.086 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC2(O)CCC2)CC1 1359043183 KNCZCFONQXWEDU-UHFFFAOYSA-N 437.544 2.225 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccsc2)CC1 1359048180 IBBWSEGBBDBIMT-UHFFFAOYSA-N 444.630 2.264 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCOc1ccc2c(c1)OCO2 1359063084 FWLBNVWABVEALP-JOCHJYFZSA-N 425.489 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359326869 LPSROGODUXGEMO-INIZCTEOSA-N 425.599 2.087 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 1449528968 HFJRTVMDYZKNQQ-QZTJIDSGSA-N 425.489 2.174 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 1452493493 AWXRWFLBINKTQE-HXUWFJFHSA-N 436.472 2.003 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H](O)c4cccc([N+](=O)[O-])c4)CC3)n[nH]2)cc1 1452960028 OCAVGPOXXRQMCE-NRFANRHFSA-N 432.440 2.239 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1455758446 MQSCNMHDJDROGE-HXOBKFHXSA-N 443.548 2.369 30 10 IEEE C#Cc1cccc(NC(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 1464982280 USZOZLOGCIRLQN-UHFFFAOYSA-N 441.532 2.490 30 10 IEEE CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1465065269 JGLMIWQJZGHQHM-MJGOQNOKSA-N 426.517 2.377 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 1469876404 GATPQJSUUWRRJO-UHFFFAOYSA-N 430.530 2.246 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CC1 1471938141 CESVTLLMESFUAL-UHFFFAOYSA-N 427.526 2.323 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1C 1503248130 FHKSKXVRJSVMHT-QFBILLFUSA-N 431.562 2.360 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(CC4CC4)n3CCOCCCO)CC2)c(Cl)c1 1505318032 DUYHSWRRGCTZDR-UHFFFAOYSA-N 444.967 2.481 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)C(C)C 1507530569 ZOBFJDAFDHITNG-QGZVFWFLSA-N 431.610 2.426 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1507579957 MOHQSCUJYIHVGB-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507620798 VQFFYOAXHLLXNL-QGZVFWFLSA-N 425.430 2.341 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507625361 ILOCDFQODSDBMM-QGZVFWFLSA-N 444.557 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(C(C)=O)CC1 1507651728 ANSOMOVPAROQEF-UHFFFAOYSA-N 425.483 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NC1CCCCC1 1507672696 ICNRIILYUNWXGT-UHFFFAOYSA-N 435.576 2.442 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCc1ccco1 1507714800 WSKZIBPZMUEFFI-UYAOXDASSA-N 443.548 2.192 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)c(C)c2)CC1 1507720313 UCRRGZGGLKQPKL-HSZRJFAPSA-N 427.524 2.181 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507806482 IINBUZMGKXCFGV-SFHVURJKSA-N 441.580 2.487 30 10 IEEE CCCNC(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1515079582 RUHSSGQCNDAKOJ-JOCHJYFZSA-N 432.569 2.365 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC)C1)S(C)(=O)=O 1515706096 HCZJSWLPAPBWKD-LJQANCHMSA-N 446.577 2.104 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1517637235 LETVHLWKEZRMOP-UXHICEINSA-N 439.516 2.402 30 10 IEEE CSC[C@@H]1CCCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1520247501 WNGSHEDOUYJYKY-FUFIUMIBSA-N 446.577 2.378 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2=CCCOC2)cc1 1521101605 DYULLJDLEBCLMS-GOSISDBHSA-N 436.516 2.167 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1539003596 DHDWWPBZNHFXMZ-ULQDDVLXSA-N 430.553 2.334 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1539219410 CGFDHGSVYHJDDG-KURKYZTESA-N 438.619 2.290 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1539220495 JXHIZRYKSSHRBH-RBUKOAKNSA-N 446.548 2.295 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CCC1 1539332446 RFSMQWZBARNNQV-UHFFFAOYSA-N 431.587 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cl)c2)CC1 1539467577 VWWPSRAFYWFQER-UHFFFAOYSA-N 442.951 2.084 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2c[nH]nc2C)CC1 1539481655 MTZICRNRPZOFLZ-FQEVSTJZSA-N 439.564 2.150 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1539481944 IPFCSNRBKZDLSE-UHFFFAOYSA-N 446.486 2.487 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1540169495 FHCDCIULDLQNLN-LJQANCHMSA-N 449.552 2.171 30 10 IEEE C=CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1540917643 BFKUHLOOPJUJNF-UHFFFAOYSA-N 435.619 2.412 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(OCCN(C)C)cc1 1543249164 LAPQEOGDOICWPH-UHFFFAOYSA-N 433.516 2.110 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1554149892 CFSRHHGFPOFMTD-FQEVSTJZSA-N 436.541 2.207 30 10 IEEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 1555820611 FEIAIPWGTWNVAH-FOGNVHKLSA-N 439.463 2.495 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 1556201003 LNXZNQJCMIZCEK-SFHVURJKSA-N 445.516 2.144 30 10 IEEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1557298929 FIQNWKAFYWHKBI-HNNXBMFYSA-N 432.571 2.067 30 10 IEEE C=C1CN(C(=O)C2CCN(c3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])CC2)C1 1557456249 DZKMUKRQEYCJLD-UHFFFAOYSA-N 436.534 2.240 30 10 IEEE N#C[C@@]1(C(=O)N2CCN(c3ncc(I)cn3)CC2)CC12CCCC2 1557851947 PJQQCAGFQJHKPG-QGZVFWFLSA-N 437.285 2.204 30 10 IEEE Cn1nc(I)cc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1584859245 WEGGEHSOWFFKFA-UHFFFAOYSA-N 438.225 2.356 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1587765712 JEXPTIBIMRMFBT-HTAPYJJXSA-N 446.548 2.221 30 10 IEEE C#CCCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1587792904 DCCYBPSLAVHQGC-SELNLUPBSA-N 429.565 2.085 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1588045410 KFZWFDCNSFPRSJ-IBGZPJMESA-N 443.573 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1588174148 QUYLNVJSRKIEKH-CYFREDJKSA-N 448.527 2.117 30 10 IEEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594614791 AGXQBBCZJBCBEX-UHFFFAOYSA-N 447.609 2.455 30 10 IEEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1594709600 ZSMODJXHVFYCBZ-UHFFFAOYSA-N 436.520 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(F)cn2)CC1 1595501094 MBEIWSICCYXDHH-UHFFFAOYSA-N 425.468 2.009 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1595577593 YAJVVILSTZIKRI-GOSISDBHSA-N 444.967 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595776826 GCHJIOINJURURZ-RTBURBONSA-N 443.573 2.102 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1596840557 DVUIAXRULMGPQY-OAHLLOKOSA-N 441.502 2.271 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 1598245198 MTWFAQHQVVQPKA-LSDHHAIUSA-N 437.493 2.323 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1 1611640239 YSKLHSYBLLTUDI-CQSZACIVSA-N 431.493 2.390 30 10 IEEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1611662849 YVAKJPGYAZETKH-UHFFFAOYSA-N 439.581 2.454 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1611695297 ZWQRHNMHPNLZHW-HRCADAONSA-N 432.550 2.418 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1612120051 KIMBNMZAJGQENF-SIUCFOQUSA-N 449.515 2.430 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1612385807 GQBAMKSEGRWGEZ-CHWSQXEVSA-N 448.574 2.405 30 10 IEEE OCCC#Cc1ccc(CN2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cc1 1614334900 CDNXBTUIJQPCAN-WUFINQPMSA-N 447.623 2.216 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1618736098 CUTNMWGGVZGVSD-UHFFFAOYSA-N 437.548 2.182 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC2(O)CC2)cc1 1620350069 BAQLZGWPGGRXPS-UHFFFAOYSA-N 438.429 2.364 30 10 IEEE C#CC1(O)CCN(Cc2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCC(C)C)CC1 1620451221 VBQJMQVDMPQLMM-UHFFFAOYSA-N 449.555 2.353 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)NCCC#C[Si](C)(C)C)cc1OCC 1632537296 GSJOIBHCWIWTFV-UHFFFAOYSA-N 426.611 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 1634118408 CSUBIEJGGCNSLM-FQEVSTJZSA-N 430.549 2.431 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 1635669463 MCQATPPIVGIDSO-CVEARBPZSA-N 427.526 2.247 30 10 IEEE Cn1c(C(F)(F)F)nc2cncc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c21 1635702141 ZZNDQBQJUATTPM-OAHLLOKOSA-N 442.401 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCN(CC(F)F)C3)C2)C1 1636570096 HBMSUDWREHIAAE-ANZKDXPISA-N 426.508 2.476 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCn3c(nnc3-c3cn(C)cn3)C2)c1 1644194387 LMGSURQVBOMZFC-GOSISDBHSA-N 432.532 2.446 30 10 IEEE N#Cc1cn(CCNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)c(=O)nc1O 1646147158 GGUJAXSNKYVWQD-UHFFFAOYSA-N 429.358 2.331 30 10 IEEE N#Cc1cccnc1NCc1cccc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c1 1646518184 IBALRPVEAPHWBD-UHFFFAOYSA-N 439.472 2.282 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(C#N)c(Cl)s3)CC2)cc1 1654876970 FLQWVJZOPRZQAI-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE C[C@@H]1COCCN1C1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1664358155 AMTGIVPUQXJYJI-CYBMUJFWSA-N 428.352 2.195 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCc2cnc(Br)cn2)CC1 1675014550 QVGVHOWVPVYIPT-UHFFFAOYSA-N 432.282 2.008 30 10 IEEE CCc1ccc([C@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(CC)CC)cc1 1682797998 KCJUVOODHKJZMX-FQEVSTJZSA-N 438.532 2.032 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689938215 DUSWKALPXBYQMO-IBGZPJMESA-N 445.589 2.405 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCC[C@@H]2C)CC1 1690132109 HVWIROFKLJAVDA-NRFANRHFSA-N 438.624 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCN(CC)CC2)C1 1690684881 QJBOBLZWMHEECP-HXUWFJFHSA-N 430.597 2.417 30 10 IEEE CCCN1CCC(Cn2c(CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1695370469 ZESJRXNANCJJJA-UHFFFAOYSA-N 439.612 2.203 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1696569958 UBJVKPPBSAERGU-UHFFFAOYSA-N 443.577 2.333 30 10 IEEE CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1696802095 AJDJFHDTTZAIBA-UWJYYQICSA-N 446.552 2.149 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](C)OC 1698164917 LAGGEMXBTIXCFP-SJORKVTESA-N 446.527 2.374 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccco1)N1CCCC1 1698171578 RESCZPLUUZOFBV-QRVBRYPASA-N 444.536 2.161 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1705495752 UUXGCZLNFZIQBN-RXVVDRJESA-N 441.601 2.087 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2ccnc2C)CC1 1705648680 WGVLDSPPAMHAEU-HXUWFJFHSA-N 439.564 2.081 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1705665710 BFRUGUUJGGIYMH-KRWDZBQOSA-N 427.574 2.453 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705760333 HHUDOBOFVBARIW-IBGZPJMESA-N 427.933 2.350 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705806896 OVUBPOLWKXNCPP-SFHVURJKSA-N 438.580 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1705933892 UYPWGDYLBRGWNO-FQEVSTJZSA-N 449.508 2.005 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1706936955 MRUXXEYOLZKVIL-KRWDZBQOSA-N 439.495 2.126 30 10 IEEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)C#N)s1 1707560490 DBXORPRNEXFQAM-UKRRQHHQSA-N 438.579 2.074 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CCCOCC(F)F)C2 1707842301 HHVDTRVXDKNELB-UHFFFAOYSA-N 428.447 2.409 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722336220 UFCQJJFKRLHBEY-GOSISDBHSA-N 435.619 2.452 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722341321 DNMCJEQYWWMVTN-QGZVFWFLSA-N 442.564 2.373 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1722366967 LHGWBDBHYLNJAG-OAHLLOKOSA-N 442.463 2.414 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2OCC[C@H]2C)n1 1722428232 SMMRVUJAYAZLHI-WIYYLYMNSA-N 435.532 2.248 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccccc2)C1 1722709356 OKGPTLRPMMFDKA-XXBNENTESA-N 425.533 2.203 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1724009066 BLOPKSMMKYJMKK-FQEVSTJZSA-N 447.565 2.173 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1728940333 IBZYKPFAKFBVQJ-NFOQDIRWSA-N 445.495 2.238 30 10 IEEE CCOC[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729119450 YDPBOKYOKJNFNO-YGCDDZCOSA-N 428.537 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1740558079 SKKGUAWZGVBDFX-AWEZNQCLSA-N 426.912 2.413 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740720958 SCRNMUUCKZMJCI-IAGOWNOFSA-N 430.603 2.248 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740865330 LZPBOLFATDCQLN-INIZCTEOSA-N 443.577 2.182 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)C[C@H]1COc2ccccc2O1 1740991630 ATHXKIBIAGTLGI-KRWDZBQOSA-N 434.562 2.354 30 10 IEEE Cc1csc(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)n1 1742526103 CLJROGHQDQLWTJ-MRXNPFEDSA-N 429.550 2.031 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 1748805513 SZRDEIFSPQYGQC-DOTOQJQBSA-N 430.530 2.195 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2csc(CC)n2)CC1 1748978860 QQTWUNLXOOSHMP-QFIPXVFZSA-N 444.605 2.141 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cn2)CC1 1748993495 ZPZYHDRGWAPAGH-UHFFFAOYSA-N 437.935 2.147 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](F)COC)CC1 1749015656 ILPPYWHNBDDJHP-FQEVSTJZSA-N 427.524 2.014 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCC(NC(C)=O)CC1 1749048750 AVOHPIJHYBMMNX-FVELJTHGSA-N 449.621 2.252 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1749162672 UNXCHMLLQHKYHI-UHFFFAOYSA-N 436.553 2.350 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749220395 HMHUHQTTXRMQCZ-UHFFFAOYSA-N 448.593 2.183 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)CC1 1749670890 WJRMLMNGXWCYDK-LJQANCHMSA-N 428.512 2.288 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749699180 IEHGFHOLMDXKKM-DENIHFKCSA-N 437.592 2.458 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)CC1 1750387853 CNVURLLGKZHWDE-UHFFFAOYSA-N 429.550 2.171 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1750778866 WUSZUZSTHCJMSR-NYVOZVTQSA-N 435.569 2.235 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1760186317 BPDKKWXNFZXSJT-GOSISDBHSA-N 429.546 2.014 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760190397 QAARRXRTFNIFJQ-ICSRJNTNSA-N 446.548 2.060 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1760295211 QCYDKWDMHMBVBH-XWFZLUIHSA-N 428.558 2.274 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1760337006 LQCQKKFVTXETSA-INIZCTEOSA-N 436.557 2.125 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760372272 CXBOTDLLXUVPRJ-ROUUACIJSA-N 430.988 2.482 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760373816 CDWGEQYINPHCBB-ROUUACIJSA-N 447.948 2.382 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760373939 FMMKXYHFDZXGPR-STQMWFEESA-N 441.907 2.006 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1760461301 NZLBIWDUZVHFFP-UHFFFAOYSA-N 435.532 2.343 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1761077517 BKRKAXKBLDCYAO-KRWDZBQOSA-N 438.598 2.177 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C)Cc2ccccc2C1 1761482222 GZMMEIJGJFQUFN-QVKFZJNVSA-N 446.552 2.135 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1761561262 PQNJAGDTCMTEOT-LJQANCHMSA-N 438.532 2.246 30 10 IEEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1763186939 KFINMKUMOLUGOQ-FVGNFYTDSA-N 428.537 2.152 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)cc1 1764492456 QXJGHQCTOMPZOW-NRFANRHFSA-N 434.500 2.362 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@H]2CCOC2)C1 1770729409 ZANNJKQAUCHZOA-PXNSSMCTSA-N 430.440 2.491 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1770756462 FJLHODYKKRDEIO-AWEZNQCLSA-N 448.453 2.411 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 1772792088 GPCDFLBDYZFJIO-KKSFZXQISA-N 426.425 2.471 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3cccc(C#N)c3F)CC2)cc1F 1851378772 FTZWALPGRJLUMZ-UHFFFAOYSA-N 438.438 2.384 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 1852368252 KUKBAGMSCASULB-UXHICEINSA-N 435.484 2.132 30 10 IEEE COCc1nc(-c2ccnc(N3CCN(CCCOc4ccc(C#N)cc4)CC3)n2)no1 1852669986 RRLHPMGATZUULV-UHFFFAOYSA-N 435.488 2.136 30 10 IEEE NS(=O)(=O)c1ccc(N[C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)cc1 1860592232 VJSLQOXGMVNULT-OAQYLSRUSA-N 445.541 2.021 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c(O)c2)cc1C 1862402672 DRUBWPCCZTUGTF-FQEVSTJZSA-N 440.452 2.129 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCO)cc(OC)c1OC 1862602064 SXBXBVABPJTQFP-IBGZPJMESA-N 443.452 2.379 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862695049 YZYXUZQATRIXIZ-LJQANCHMSA-N 439.424 2.318 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862749294 VHPFJVQSEABPRT-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870002175 DVVFYILBQWBWKQ-INIZCTEOSA-N 431.518 2.077 30 10 IEEE Cc1ccc(C)c(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1C 1870146499 UUYBWPDYYRRMEV-UHFFFAOYSA-N 444.451 2.308 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC(=O)OCC)cn1CCN1CCOCC1 1870368597 RYUTWJHNAGBWOG-UHFFFAOYSA-N 447.576 2.077 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCc3ccccc3C2)cc1=O 1870562594 NKPYQNKPEKHPKZ-UHFFFAOYSA-N 437.521 2.114 30 10 IEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618795 KUUXNKWYJDJPFJ-UHFFFAOYSA-N 444.587 2.445 30 10 IEEE C=CCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1873775451 DYPZJBSTSWEHCH-UHFFFAOYSA-N 434.489 2.302 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc[nH]1 1874210935 HLAIXCKQAUAKRW-BRUSPLQXSA-N 438.513 2.270 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1874280551 VBZFKULXKZDJMG-OOXYOOLHSA-N 447.561 2.376 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)c(OC)c1 1874471342 ZIJRREXLYHPYHP-SSDVNMTOSA-N 445.501 2.065 30 10 IEEE CC(C)C[C@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)N1C(=O)c2ccccc2C1=O 1891476795 HNRVMNLJZNFKPL-OXJNMPFZSA-N 447.495 2.429 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCO1 2010508698 ZWJBIPGUOGHDQB-AUSIDOKSSA-N 428.533 2.297 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 2054340123 XLXBZHBRNDNCCC-XJKSGUPXSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124535991 YLTGWTZZNBVWCP-CWRNSKLLSA-N 444.341 2.360 30 10 IEEE CN(C[C@@H]1CCCS1(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172784056 MYDWVWVREIYZHC-ZDUSSCGKSA-N 445.188 2.157 30 10 IEEE C[C@@H](NC(=O)CN(O)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2243679194 UGTOSUQLPATACN-LLVKDONJSA-N 427.332 2.246 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247903233 ZTCOZPCDAIGIAJ-HZPDHXFCSA-N 442.387 2.445 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255814824 DXXVGVSSVCYFCV-KCQAQPDRSA-N 449.382 2.428 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)co2)OC1(C)C 2255818293 JFMVCVFXBDMSME-LBPRGKRZSA-N 430.232 2.110 30 10 IEEE C[C@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)N(C)Cc1ccccc1 2255820283 NUJZPSFHBKDCBN-QGZVFWFLSA-N 426.370 2.360 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825680 DEKALBKJRGTNMA-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256926856 CDAXQVQRMWVDQD-LJQANCHMSA-N 425.290 2.386 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2259933864 PIQAWIBTRKVWNW-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139205 CSPCWUUCUGYGCG-CABCVRRESA-N 448.373 2.332 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cnn(Cc2ccccc2)c1 2267170311 ULSKEXFQVFEBPF-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267181859 YNQGEFBYOJOFFN-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267499552 VMGRTYGBUKTROC-CQSZACIVSA-N 448.373 2.237 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)n1 2267502109 IYCAHFOXDRVCFF-GJZGRUSLSA-N 443.353 2.284 30 10 IEEE C[C@@H]1COC[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N1C(=O)OC(C)(C)C 2268645547 FUZIGTWRVCLFDA-HUUCEWRRSA-N 447.341 2.344 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268654880 FPHCLLFYPFOVDQ-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(F)c1 2296625831 ZETOWEXRFHRACD-HXUWFJFHSA-N 442.491 2.310 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2310284268 VVDAFJBEABADDC-FXUDXRNXSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2312859715 NJNBGFYFSLCZMK-MJBXVCDLSA-N 449.382 2.428 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(C)ccc1O 2331273375 JTFFQABXQFARDR-UHFFFAOYSA-N 429.502 2.365 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2337206130 IRWQMYRDOFLRFS-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)n1C 2337327744 IYXQXFAWTBUWLI-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE CC(C)(C#C[C@@H](N)[C@H](O)c1scc(Br)c1Br)S(C)(=O)=O 2365209205 FIWOSRXTBHJNBQ-SCZZXKLOSA-N 445.198 2.460 30 10 IEEE CC(C)(C#C[C@@]1(OCCC(=O)O)CCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2365242640 BYATYAMAAHWPPG-OAQYLSRUSA-N 437.514 2.086 30 10 IEEE CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NCCN2CCOCC2)cc1 22694431 JBGMDXOSKXJBBQ-UHFFFAOYSA-O 449.547 2.179 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 23266066 XLULZHQUYXNZQH-DEOSSOPVSA-N 440.975 2.465 30 10 IEEE CC(C)CN(C(=O)[C@H](C)Oc1ccccc1C#N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 29760433 XTALAHVALWCBAQ-HNNXBMFYSA-N 427.505 2.103 30 10 IEEE CCOCCC/N=C(\Nc1cccc(C(=O)O)c1)N1CCN(CC(=O)NC(C)(C)C)CC1 46021954 JUJCNCZDJJOLKF-UHFFFAOYSA-N 447.580 2.112 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)c1 59309790 CSYVSKZYGUUWHZ-AWQFTUOYSA-N 441.521 2.290 30 10 IEEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)n[nH]2)cn1 59311928 TUHMUVIMPGFXBF-UFWORHAWSA-N 430.494 2.215 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1=O 429081294 FEXOHDGZAKFPFX-LJQANCHMSA-N 431.500 2.118 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1Br 432995599 CUGKBQYXKPBNIJ-AWEZNQCLSA-N 426.336 2.344 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)Nc3ccc(N4CCCC4)nc3)n2)c(Cl)c1 434437354 CLSNEZKNBUWZLV-UHFFFAOYSA-N 435.875 2.970 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OC)c3ccc(OC)cc3OC)cc2C1=O 471561740 CICDGFVYGJHCGI-IBGZPJMESA-N 438.436 2.130 30 10 IEEE CCS(=O)(=O)NCc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 482610207 VBAZFBUIDXMNLP-UHFFFAOYSA-N 440.569 2.414 30 10 IEEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 506915831 WWEUGAOVFAIEOP-ROUUACIJSA-N 448.520 2.214 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508686019 CURSMHKGPWQEQS-UHFFFAOYSA-N 436.534 2.170 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(Cc4nccn4C(F)F)CC3)CC2)o1 527530423 PDWDTMBCMNWLJB-UHFFFAOYSA-N 433.463 2.007 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)o1 532194866 IEWNSRRXXUNYGR-UHFFFAOYSA-N 445.500 2.382 30 10 IEEE N#Cc1cccnc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 585246342 SOZITXLVXBNLHR-CQSZACIVSA-N 441.285 2.358 30 10 IEEE CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC)c1=O 604533104 LPVINXTZJDCIQZ-UHFFFAOYSA-N 427.482 2.109 30 10 IEEE C[C@@H](CN1CCN(C)CC1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 730143812 VUJRSPFORBDNEI-HNAYVOBHSA-N 447.580 2.062 30 10 IEEE CCOc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732678978 QLYHZTMAWZDXKT-QGZVFWFLSA-N 426.546 2.221 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCc2ccc(OCC#N)cc2)C1 733424241 AUZBCBOAKNOJRW-QGZVFWFLSA-N 433.486 2.338 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN=c2cc[nH]cc2)cc1 735862698 BGFZYZGSJUQOOK-QOMWVZHYSA-N 444.561 2.330 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 744144050 JSJMZVAZBOSKOO-INIZCTEOSA-N 437.518 2.088 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H]1CCS(=O)(=O)C1 753317533 LPUUNRYGKGIJDR-CLAROIROSA-N 429.586 2.119 30 10 IEEE C#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 757058735 SJAUUDQAYLMOFI-HXUWFJFHSA-N 442.497 2.375 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC23CCCC3)cn1 757924891 PKMHIQJAJFSMJN-IAGOWNOFSA-N 445.589 2.422 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758774733 USPMTEJRDUEQJS-YJBOKZPZSA-N 445.520 2.251 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C[C@@H]1CCCO1 760409542 QXBRFIOIOQQQDH-INIZCTEOSA-N 443.566 2.323 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 772207537 LAHUNLTYJWDEHK-GOSISDBHSA-N 447.557 2.212 30 10 IEEE C#CCN(C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 774190618 CQUIJOFCSQPCDE-OAQYLSRUSA-N 440.521 2.376 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2=O)cc1 780257688 USPMGJMKAPQLAL-LJQANCHMSA-N 432.480 2.376 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(N3CCOCC3)CCC2)cc1 782580467 ANZRLYYWQVRAPF-HIXSDJFHSA-N 448.589 2.473 30 10 IEEE CO[C@H](CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 787463188 HPOHZCSEIWJBGU-UKRRQHHQSA-N 435.468 2.223 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(F)cccc2Br)c1=O 794646077 USCFNDDHJQSJLU-UHFFFAOYSA-N 445.313 2.317 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1F 801162227 YXVWVIWHYAKPOD-UHFFFAOYSA-N 430.505 2.346 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCCF)C1=O 812222275 JZZKAZIKWHAADN-QGZVFWFLSA-N 438.525 2.164 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2 817542640 SZCHAVSIMAZVRG-UHFFFAOYSA-N 430.505 2.057 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCN(C)CC2)C1 819926713 RBSPFDKGYQLUJP-SFHVURJKSA-N 432.590 2.084 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 853705567 OSDHTLKHJSPKOY-KRWDZBQOSA-N 443.525 2.205 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 916777583 LTXMSVPKBQNLLK-HXUWFJFHSA-N 425.510 2.365 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(OC)cc3)c2C)nn1 917036838 OYKCSMNXWFOKIU-QGZVFWFLSA-N 434.456 2.017 30 10 IEEE CC(C)(C)Cn1c(C#N)c(C#N)n(Cc2ccccc2I)c(=O)c1=O 1088738923 DXJDRGDIYFUOBV-UHFFFAOYSA-N 448.264 2.452 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4c(C#N)cccc4[N+](=O)[O-])C3)[C@@H]2C1 1163978914 GLPXEWCVWHCLON-OIISXLGYSA-N 443.460 2.485 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)O2)C1 1165615962 UMSWSIJFPOMJJE-VGSWGCGISA-N 440.500 2.494 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nc(C)cs1 1286376870 PABFHJJTKSBUMJ-OAHLLOKOSA-N 432.550 2.469 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286507014 UHEHBNIJZQVOMN-GOSISDBHSA-N 437.635 2.306 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286508551 UNONPIIVPYRRCA-INIZCTEOSA-N 432.619 2.495 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)CC1 1286564716 HOZKQVULZCBTOS-JTSKRJEESA-N 441.532 2.173 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1288125763 LIIGSJUNABCSJE-QFIPXVFZSA-N 433.520 2.380 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)N(C)C 1288672919 GWNQSIXMLJLXSR-AZUAARDMSA-N 448.575 2.481 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c(I)c1 1288996656 KAIGJPVUBQQGAC-MNOVXSKESA-N 426.132 2.448 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)C1=O 1289566979 XJLVNQHSSRBKBU-UHFFFAOYSA-N 444.488 2.362 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1OCC[C@H]1C 1291598670 CBTNXODPAZKLPX-FRQCXROJSA-N 426.569 2.457 30 10 IEEE C=CC1(CC(=O)N2CSC[C@H]2C(=O)N2CCSCC2)CN(C(=O)OC(C)(C)C)C1 1292286154 LMDZYIHVWAHSQV-HNNXBMFYSA-N 441.619 2.277 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1293859701 KTHZQXBAUYANML-CVEARBPZSA-N 446.502 2.428 30 10 IEEE Cc1cc(F)c2c(c1)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)C2 1294720450 AIBOUYMHBXCFES-GOSISDBHSA-N 430.480 2.385 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1300620565 CDUKVWWEZSBVKO-MRXNPFEDSA-N 427.505 2.153 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCOC[C@H]2CCOC2)CC1 1300722005 FSYXZTCCHLCWFT-LJQANCHMSA-N 443.592 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC[C@H]2C)CC1 1300723309 RTUAHHUGSSYATR-HOJAQTOUSA-N 429.565 2.158 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C 1300788706 JQQGKNWCQJHUJZ-OPAMFIHVSA-N 443.621 2.489 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301241005 KSKXZXFKFGFXBR-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCS(C)(=O)=O 1301452448 NOGWQACCMKICQN-MRXNPFEDSA-N 441.598 2.450 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301609876 PWQSIKOUJHQVHP-HZPDHXFCSA-N 434.610 2.280 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301959780 RVRLZXWELWVVKS-ZIFCJYIRSA-N 443.577 2.140 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1302438564 IOINDALLDGSFJZ-SFHVURJKSA-N 427.530 2.175 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1303902743 YATWUJJOXZYYRW-AUUYWEPGSA-N 429.435 2.076 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1304695888 KBNRWYYCWGLMMV-BBRMVZONSA-N 441.875 2.199 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCCCS(C)(=O)=O 1306196872 LWEODMWEBTWJQX-UHFFFAOYSA-N 430.578 2.254 30 10 IEEE COC(=O)c1ccc(N2CCN([C@@H](C(=O)OC)c3cccc(Cl)c3)CC2)c(C#N)n1 1306994488 CDVAKAKWIOKGRC-LJQANCHMSA-N 428.876 2.430 30 10 IEEE C=CCC1(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCOCC1 1309661223 BHAHDUMZUHYJRB-UHFFFAOYSA-N 428.576 2.265 30 10 IEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCC1 1315843568 HVVBITQOCDBANW-SFHVURJKSA-N 429.546 2.257 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1316385420 AEGZXHSTVDDECD-ZBFHGGJFSA-N 435.575 2.104 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC(F)(F)CO2)CCO1 1316538776 AOQQQTIZVMUBPK-QWHCGFSZSA-N 425.386 2.300 30 10 IEEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1358945573 LRFIMKVRHBXMLY-XDOYNYLZSA-N 429.484 2.033 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358964558 BCPBONGNSJSDRR-PLMTUMEDSA-N 448.614 2.108 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C(C)C)N1CCOCC1 1358979457 NIHPTOBNFOVMCX-REWPJTCUSA-N 449.555 2.220 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358995746 DFHOIYLPYOUHHE-HXUWFJFHSA-N 444.514 2.210 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359013107 KXHQRULJFQDHCB-FQEVSTJZSA-N 448.575 2.268 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCCC1(C)C 1359019419 UZDPUAOCQHQSLD-DHIUTWEWSA-N 434.581 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)CN2CCCC2)CC1 1359043810 JRWRJYCBJYJBAC-IBGZPJMESA-N 449.603 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2ccsc2)CC1 1359046093 DLSBMHMAUGANGL-QFIPXVFZSA-N 427.574 2.166 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359048515 SVKDBNHXFXDEAH-QGZVFWFLSA-N 443.577 2.031 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1359084402 GLJZHFMAMUOWQU-CQSZACIVSA-N 445.383 2.096 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1359103634 QRMQVKRRYKWVFZ-XXBNENTESA-N 439.560 2.332 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(=O)NC)CC1 1359295940 RUNYLFZHDAWIOU-UHFFFAOYSA-N 448.930 2.392 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cccn2)CC1 1359296765 UCILMUURNIVXDL-UHFFFAOYSA-N 430.516 2.232 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1359304667 FQTOSDMHRDJZQM-HZPDHXFCSA-N 431.562 2.498 30 10 IEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1359336157 GXNCRCZIVUWOEM-HNNXBMFYSA-N 448.980 2.092 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CCC(N)=O)CC1 1359340852 CDQWVLQWIHDUNW-UHFFFAOYSA-N 446.577 2.407 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1359835965 PWMXOQLTPNQOJN-LJQANCHMSA-N 429.517 2.114 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1360319527 JJUBGBJWXGBUSX-WMZHIEFXSA-N 448.612 2.292 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC2)c1 1440876619 MBWBZGUZLYXJKG-UHFFFAOYSA-N 428.290 2.175 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)Cc1ccc(O)cc1 1443467150 UYTVHGARNLDSJX-SJLPKXTDSA-N 433.505 2.427 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1453583179 RUIMMUHJNIKTTR-KRWDZBQOSA-N 427.526 2.356 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1456067999 UAHOMVAADMIUDQ-UHFFFAOYSA-N 433.472 2.310 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCN(c2ncccc2F)C1 1463281839 FLMFHOOFYVDLHR-ZDUSSCGKSA-N 425.283 2.412 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC 1464544496 QYRCMFSJJMQZCT-SFHVURJKSA-N 444.575 2.037 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1478806021 GQKGTWZCNRTGQS-OAQYLSRUSA-N 426.561 2.319 30 10 IEEE CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1497175600 QUIIZGNREGNIDD-YSHGAJCASA-N 446.577 2.057 30 10 IEEE CCCN1CC[C@H](Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1500921291 HLEWYYTWRYQWSJ-IBGZPJMESA-N 439.612 2.374 30 10 IEEE COc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1504456790 AOVRDIULIJAKFG-UHFFFAOYSA-N 431.500 2.474 30 10 IEEE CSCC[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1505237640 VJMIZIDGCHOXMV-SCYHOBCLSA-N 434.566 2.234 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507565370 DNHDBQJTSVNGEG-HXUWFJFHSA-N 440.617 2.477 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(CC)CC 1507606370 KDKSOOKGKRMCGR-UHFFFAOYSA-N 431.562 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1507627639 KVCPKTHZHGRYHK-NRFANRHFSA-N 446.536 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(N)=O)cc1 1507667982 UALRBRLZHRYYDQ-UHFFFAOYSA-N 445.483 2.008 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507724626 IFTQKZLFEIQJKR-SFHVURJKSA-N 441.580 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)COC)CC1 1507741701 YRWIIDXBTWQDLO-KRWDZBQOSA-N 443.523 2.245 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507838509 SIAPWWFNAMKMTE-GOSISDBHSA-N 442.520 2.206 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1507846685 TXZFUGBUBUYWIM-UHFFFAOYSA-N 427.549 2.065 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1507930036 XJWHYEAFSATAPX-GOSISDBHSA-N 440.610 2.294 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1518764445 GTNIWIDMIWGUPQ-RTBURBONSA-N 428.512 2.388 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1519274676 DIAOYSVTKFLZDH-KPZWWZAWSA-N 425.415 2.220 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1529819072 JGKWNXWOSGWCMU-DLBZAZTESA-N 427.567 2.389 30 10 IEEE COc1cc([C@H](C#N)NC(=O)Cn2ccc(Br)cc2=O)cc(OC)c1OC 1537838310 OTINNTYGJFQTTF-ZDUSSCGKSA-N 436.262 2.018 30 10 IEEE COc1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 1538537591 DUCBIKWPKHAZLA-QFIPXVFZSA-N 443.525 2.271 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539223935 ACSYDQAILARHNT-ZJOUEHCJSA-N 434.606 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)N(C)C 1539284304 MEVMLKYFMWOSSA-ZCNNSNEGSA-N 440.592 2.462 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@H](C)N(C)C)CC1 1539473969 GDJRGMXTGOWKMZ-GOSISDBHSA-N 445.571 2.409 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539525111 SURRMSFCOLSSDT-INIZCTEOSA-N 434.635 2.157 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1539744511 OJBAHLUFXZJUFX-DLBZAZTESA-N 448.568 2.315 30 10 IEEE C[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C#N)cc2C1 1539778274 PMYYTUNZHAAIIV-HNNXBMFYSA-N 440.525 2.351 30 10 IEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1539925685 AZKLMRFUMDPFBR-UHFFFAOYSA-N 445.593 2.333 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C)C1CC1 1540094210 IEBDSQUCFHFNQH-UHFFFAOYSA-N 446.577 2.193 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCCOC2)C1 1540864204 SKSMDYKVZVVRLE-IBGZPJMESA-N 449.353 2.345 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCCC)CC1 1540869636 SGARLHGUGIVGHX-MRXNPFEDSA-N 444.536 2.094 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1541088184 AZAAYPLRCOBZQX-UHFFFAOYSA-N 445.531 2.214 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC[C@@]3(CCOC3)O2)CCOC1 1541104966 CSQCWUUYLIZGIH-UBBRYJJRSA-N 433.553 2.253 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1541105508 KBJANCOHSLWGKP-UGUYLWEFSA-N 446.577 2.417 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541150622 OWWALBIDZQSDQV-NRTINQSCSA-N 441.580 2.167 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1545574242 HLOXPYUTCGATSF-XHSDSOJGSA-N 430.475 2.174 30 10 IEEE Cc1nc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)ccc2n1[C@@H](C)CO 1556604294 AUOJWYBUIOZDNJ-KBPBESRZSA-N 441.513 2.075 30 10 IEEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)COc2cccc(Br)c2C#N)C1 1558025249 ICZBCOVTNRCLJR-OAHLLOKOSA-N 434.212 2.369 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CC(=O)NC2CC2)CC1 1562929221 LTNQFBPLXFFYHZ-UHFFFAOYSA-N 437.338 2.442 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1570830450 BDESBOATZUKQJJ-FQEVSTJZSA-N 437.525 2.101 30 10 IEEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1587967531 KGKRCIXXTRHORN-UHFFFAOYSA-N 442.537 2.402 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(N)=O)C1 1589504805 JIYRSXGAWXQFDJ-NUJGCVRESA-N 426.477 2.146 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCS(=O)(=O)CC 1589529980 RENJPWAYMRCOEY-KSZLIROESA-N 426.583 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1595772800 HCPRUQMZBPCBEQ-SFHVURJKSA-N 432.546 2.108 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OC(C)(C)C)CC1 1595785344 XJRCVFONTWAMGM-UHFFFAOYSA-N 436.582 2.063 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC(C)C)C(C)C 1595789112 NCMRQNWHWCOYLY-UHFFFAOYSA-N 437.566 2.477 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1595837809 FJVVMPFWDVVKKJ-QGZVFWFLSA-N 433.582 2.130 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1596018650 JXCNIKKJQRLQPH-KRWDZBQOSA-N 433.555 2.135 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1C 1596979040 VLBIGBRFSMKAPV-IBGZPJMESA-N 441.557 2.294 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1597705950 WKQMCUDWYWLFEE-OAQYLSRUSA-N 439.537 2.445 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1608473359 FNKFYXKMWUAOGO-JOCHJYFZSA-N 445.568 2.413 30 10 IEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1610188659 QTWKMWIEOJRRSY-RTBURBONSA-N 439.520 2.437 30 10 IEEE Cc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1Br 1614780885 GUOBZTYNVITCJR-UHFFFAOYSA-N 434.290 2.343 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1CCCO 1617907266 BWEUDLAWNUJMQQ-FQEVSTJZSA-N 432.532 2.090 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CCO2)cc1 1617919132 ZJIIWRCSMCPFMN-FUHWJXTLSA-N 431.539 2.059 30 10 IEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1618729084 ACMFRHNVZDOCHM-SFHVURJKSA-N 444.511 2.066 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1618778922 HMQBEKRPJKUVBN-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE COC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1618910004 JWLWDADHWMFMOK-GOSISDBHSA-N 425.493 2.455 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(OC)CCOC2)cc1 1619234106 HOZLVVBTRIDPSR-FCHUYYIVSA-N 429.496 2.319 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC(=O)Nc3cccnc3)C2)C1 1626241459 QSVUVNUVWSNZMQ-BXFSZVDSSA-N 427.505 2.313 30 10 IEEE COC(=O)[C@H]1CC(F)(F)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1629405293 BVALVZJUMPTIIK-CQSZACIVSA-N 434.399 2.432 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(c4ccc(C#N)cn4)CC3)C2=O)cc1 1633493045 ICQAVXGEBSTNGC-XMMPIXPASA-N 447.495 2.135 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 1633868710 VQCVJECZZRSBLL-CQSZACIVSA-N 443.591 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnn3c(-c4cccnc4)ccnc23)[C@H](C#N)C1 1638203004 IFJLXPKEEPGXOU-NVXWUHKLSA-N 433.472 2.280 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccnc2Cl)ns1 1638841569 XOJAOYLXOASMCC-JTQLQIEISA-N 448.917 2.431 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1640219146 PVYDXUNYPCEIHB-DNVFCKCGSA-N 428.533 2.356 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 1640849539 IWIWANZQELIUEB-HUUCEWRRSA-N 447.582 2.237 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c([N+](=O)[O-])c1 1643213592 GNELTFLYRNDKET-OAHLLOKOSA-N 430.490 2.193 30 10 IEEE N#Cc1cn(CCC(=O)NCc2ccc3ccc(Br)cc3c2)c(=O)nc1O 1644598004 RUDXPMZUAZXDQZ-UHFFFAOYSA-N 427.258 2.443 30 10 IEEE C[C@@H](C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)N(C)CC(F)(F)F 1645441474 RRXGFDKLWXVBAS-CIUDSAMLSA-N 431.299 2.469 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cc1F 1662456113 IFHJWOSDWIJPSG-UHFFFAOYSA-N 428.445 2.281 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 1665529592 AEDUTJVDXTYBJE-HSZRJFAPSA-N 441.597 2.469 30 10 IEEE C#CCN(C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)[C@H]1CCCc2ccccc21 1670384877 FXIMQUAHAIMDMP-FQEVSTJZSA-N 427.526 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccc(F)cc1 1690033033 OSKZGWCSAOKGMI-IAGOWNOFSA-N 431.537 2.294 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1CCCO 1690089457 BGGGLJKBBIWNRH-NRFANRHFSA-N 449.534 2.361 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)COCCO1 1690097888 RAYBCKMUDAWDAM-OAQYLSRUSA-N 434.924 2.499 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690430929 XLKIMXOESMPPQN-GOSISDBHSA-N 434.548 2.425 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@@H]1OC 1690516476 KNPWNVAWDPVDPT-IRXDYDNUSA-N 448.593 2.220 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1690577859 NQVYDRDFKRMMKG-SJORKVTESA-N 449.602 2.451 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 1690665960 VBOXMVBCYMRJEN-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1690700254 PPAFVCVBBVDYJA-UWHLTILDSA-N 433.597 2.453 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1695429769 GVEFWHLVELWANQ-CALCHBBNSA-N 426.521 2.259 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1=CCCOC1 1698059650 DVMFQRZPRXGRDU-UHFFFAOYSA-N 425.489 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1cnn(C)n1 1705474604 JOFGYDSPLWJXLW-OAHLLOKOSA-N 440.939 2.081 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705474681 FDGGIIDDRPXDAJ-NHCUHLMSSA-N 449.603 2.183 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705536625 JZDMQJGAFFGMKP-HXUWFJFHSA-N 429.590 2.242 30 10 IEEE C#CCCCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1C(C)(C)C 1705538877 CBWXMNMGVCTHTK-UHFFFAOYSA-N 436.607 2.265 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H](C(CC)CC)N1CCOCC1 1705598153 CIYQTJXILINPQT-FCHUYYIVSA-N 427.593 2.382 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1705639868 YGKYVZODPYVYTH-RBBKRZOGSA-N 440.567 2.369 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1705665064 JHIXFEAYWXADMZ-RXVVDRJESA-N 432.546 2.468 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(C)=O)CC1 1705733607 VSIAJQDSDVIHLF-UHFFFAOYSA-N 427.505 2.325 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705787134 IUSSWXZTEIWGGB-OAQYLSRUSA-N 435.594 2.131 30 10 IEEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O)C1CC1 1705852798 FNGQHONXIVHYOW-UHFFFAOYSA-N 435.532 2.356 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1705875608 AERHXHDUCMPKOX-KRWDZBQOSA-N 448.568 2.243 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1705899861 JGGDTBHDPKOGGG-LJQANCHMSA-N 438.454 2.172 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OC)c2OC)C1 1705916094 YVKUJDJCLWPZJW-KRWDZBQOSA-N 429.521 2.263 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(I)cc1 1707911945 SIOSNNWLFSVIKM-QGZVFWFLSA-N 448.312 2.416 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722372300 TZCYFROUFAXUCQ-FQEVSTJZSA-N 442.585 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)c1ccco1 1722399132 KEJUSONUOWMRGE-XMMPIXPASA-N 428.496 2.480 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722455633 OWJFCBVQMMJKCH-UHFFFAOYSA-N 448.552 2.375 30 10 IEEE C=CC[C@@H](Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1722597149 QVVODQOLLDVGFT-WMZHIEFXSA-N 425.533 2.226 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1722638991 VIPMBABPDLZKPO-UHFFFAOYSA-N 444.561 2.028 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1722688593 GQKTYXSDXWZEPC-SZNDQCEHSA-N 446.939 2.075 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC(CC)(CC)C1 1722702429 KMIZUHUFWHFMMC-WMZOPIPTSA-N 437.610 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(OC)c(O)c1 1722725066 DBKKTBSKJCXEMB-UHFFFAOYSA-N 443.529 2.292 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1722867184 FCMSTLLLSHPXJX-HHXXYDBFSA-N 448.568 2.218 30 10 IEEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C 1727278500 CLPOQWVHRUXWAE-JKSUJKDBSA-N 433.557 2.442 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCc2cccc(C(=O)NC)c2)CCOC1 1728753623 FATCWWCILIPXSK-UZUQRXQVSA-N 440.548 2.271 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCNC(=O)C2CCC2)C1=O 1729593064 PJLGKIQLESDRIL-XMMPIXPASA-N 449.559 2.038 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)C[C@H]1OC 1730993222 ANLUBUNPDIUPCI-AGKXRFJRSA-N 441.532 2.251 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCc1cnccn1 1740588883 IMZSZHLMSREIGM-UHFFFAOYSA-N 428.500 2.074 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1740634253 BJBCOZUBZSGQJL-NRFANRHFSA-N 443.559 2.114 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1740694856 VYQIBYRBYIBNCM-WOJBJXKFSA-N 439.560 2.403 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740857049 BDGPYSMWXIJIEG-HXUWFJFHSA-N 431.629 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740953375 DJBHNGGBKMQFGD-INIZCTEOSA-N 432.956 2.058 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1740966270 RBRGTCGGRRJELT-FUHWJXTLSA-N 430.578 2.377 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(C)=O)nc2)C1 1740980228 GFPMGPNKVSKJQO-FQEVSTJZSA-N 433.516 2.447 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOC(C)C)C1 1740981967 YKPJPGQQAFZYFI-KRWDZBQOSA-N 438.532 2.398 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4ccc[nH]4)nnc3N(C)C[C@@H](C)C#N)cn2)CC1 1746440051 DNGSAMQVVITEMS-SFHVURJKSA-N 433.564 2.454 30 10 IEEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)F)CCN2C1=O 1748047210 KGLULTVAKBKVHD-INIZCTEOSA-N 431.447 2.002 30 10 IEEE C#CCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748763887 CCPCWNFZEBJPFO-RXVVDRJESA-N 438.594 2.136 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1748811499 HZGSRDALOMOJCT-MRXNPFEDSA-N 433.603 2.417 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCSCC1 1748896556 FRNNUXDICIKQLT-UHFFFAOYSA-N 433.585 2.028 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F 1749035737 GBBORFCKJBQNIW-OAQYLSRUSA-N 432.475 2.389 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749457186 HCVSYPSMKXSHJC-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749659142 VVYASQNNVYXZFC-GOSISDBHSA-N 445.589 2.168 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749680151 FEDLIWTVWPIHPV-MRXNPFEDSA-N 429.521 2.172 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCSCC(F)(F)F)C1 1749716832 COMZJLXVSJEBTF-CQSZACIVSA-N 433.500 2.477 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750583529 APMNEMPTOHZJST-XMSQKQJNSA-N 425.537 2.130 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1cc[nH]n1 1751096961 ASPQXRIXQATWEQ-MRXNPFEDSA-N 431.504 2.173 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760190396 QAARRXRTFNIFJQ-AZUAARDMSA-N 446.548 2.060 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCCCC1 1760249248 YDEFXUDSEACEMF-GOSISDBHSA-N 442.564 2.214 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760280907 NIFVPTKIQUIALV-RTBURBONSA-N 430.578 2.296 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760432189 GRGUNYSWMDOHHM-LSDHHAIUSA-N 440.595 2.197 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C 1760483319 MKAVMFSGVHNDLE-UHFFFAOYSA-N 440.479 2.426 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1760522568 WURAHJMJXIGGHD-APWZRJJASA-N 441.532 2.443 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1761358297 UBTILXAZEALFTJ-INIZCTEOSA-N 444.561 2.280 30 10 IEEE C[C@@H](CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1)c1nccs1 1761385924 POITYRXLALXERB-STQMWFEESA-N 449.562 2.098 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(C)n1 1766408441 BMZHSKURNWDOMT-GOSISDBHSA-N 447.547 2.138 30 10 IEEE CN(CC1CCCCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768779709 WZTXUYNVZILZEC-UFVMTTLYSA-N 428.537 2.325 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)C1 1769215339 BXQVEXZTLYGPSU-IBGZPJMESA-N 445.527 2.443 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C(C)C)C(C)C 1771304904 NIVUBPPMCGXUNO-ZCNNSNEGSA-N 434.585 2.240 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCCO[C@H]2CCOC2)cc1 1771534652 JNSYGNWBAHZEMQ-NRFANRHFSA-N 441.532 2.133 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3CCc4nn(C)c(=O)cc4C3)ccc21 1851026795 BWLRPTICMURCNT-OAHLLOKOSA-N 436.512 2.462 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cc(C)cc(C)c4)n3[nH]2)CC1=O 1852237212 KJBHPMBOEAHIKV-IRXDYDNUSA-N 434.500 2.276 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@@]12CCCC[C@H]1CN(Cc1ccccc1)C2 1853193316 VTHYJCPTPQBKBZ-CYFREDJKSA-N 436.512 2.365 30 10 IEEE CN(C)S(=O)(=O)CCN(C(=O)c1cnc(C#N)nc1)C1CCC(c2ccccc2)CC1 1853434938 DDZPYBSEMCGURE-UHFFFAOYSA-N 441.557 2.408 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)c1C 1853730785 ZJNGZSYHIBSAEG-UHFFFAOYSA-N 425.510 2.465 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(Cl)c1 1854605112 YUHKQBAFLVFJSS-AWEZNQCLSA-N 431.901 2.202 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(CC(F)(F)F)c3cccnc3)ccc21 1857479463 YUFYIFFEONIQAN-UHFFFAOYSA-N 438.387 2.169 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862703000 BDBFASKCUTWQCL-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCN1C(=O)C(NC[C@H]2COc3ccccc3O2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545675 IUMHJEYGNNAIRJ-SFHVURJKSA-N 433.464 2.341 30 10 IEEE CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccccc2)c(C#N)c1C 1866202889 CGWGMYPSIPBKGJ-GOEBONIOSA-N 427.482 2.319 30 10 IEEE CN(C)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(CO)CC1 1870349684 YYAWDMOKUQBXIA-UHFFFAOYSA-N 438.572 2.455 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc(F)c2)cc1=O 1871008339 RJGBUWTVSRGTPN-UHFFFAOYSA-N 441.484 2.307 30 10 IEEE N#Cc1c(NC(=O)COc2nonc2CC(=O)N2CCCCCC2)sc2c1CCC2 1872637194 RWLHRZZYSGIXPX-UHFFFAOYSA-N 429.502 2.454 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(C#N)cc3F)CC2)CC1 1889386780 JOZJOUKNNMUXRX-UHFFFAOYSA-N 426.536 2.348 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1 1891080431 FORXQGDZEWRSIJ-UHFFFAOYSA-N 445.541 2.001 30 10 IEEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1891383764 LNVBEADEJJBHED-UHFFFAOYSA-N 435.463 2.030 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(I)cn1 1985068304 ZSRCZZGFZOOPPK-JTQLQIEISA-N 430.246 2.326 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)C1 1991983502 IUKPJXKFQMDNSX-GJZGRUSLSA-N 425.526 2.086 30 10 IEEE C[C@H](C#N)N1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2010542207 CFYJVVKJZOWTMI-UYAOXDASSA-N 429.565 2.068 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060639233 FTQYECZOBAYHCD-INIZCTEOSA-N 436.314 2.396 30 10 IEEE C=CCn1ncc(NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Br)c1=O 2106090388 DXWITJTYTRHPFO-LBPRGKRZSA-N 429.315 2.240 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)c3ccccc3Br)nc2)OC1(C)C 2158589891 ILAUZECJJQRHSI-UHFFFAOYSA-N 440.128 2.339 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435098 KOEOPNYSACDUNP-HUUCEWRRSA-N 430.376 2.491 30 10 IEEE Cc1nc(NC(=O)CCNC(=O)OCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2243701936 JBBVIEWMVUZADC-UHFFFAOYSA-N 440.309 2.339 30 10 IEEE C#CC1CC(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)(C(=O)O)C1 2247564634 KHQLIIXBUGTWPI-BISSLNBESA-N 430.501 2.469 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247921744 UXGMOBXIXNBYOO-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE C[C@@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248405413 UHLWHQHNVCBBRJ-TZMCWYRMSA-N 440.371 2.110 30 10 IEEE C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405892 ULFIFOYNGGOKRA-ODXCJYRJSA-N 437.371 2.362 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248444289 XXWPELDAOODQRE-UHFFFAOYSA-N 447.313 2.219 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2253616414 BCMDRRLZXXASRB-NRKLIOEPSA-N 436.358 2.297 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2255806689 IWOISNLLWYZFGQ-UHFFFAOYSA-N 430.232 2.110 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828807 XHVYKKXUYTYMLM-CHWSQXEVSA-N 436.362 2.059 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255833321 AYIUPKMJVKTENT-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255873170 IQWORUQVQOOJBN-UHFFFAOYSA-N 433.358 2.454 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267003187 LCEVWGNDKZLLFD-CABCVRRESA-N 448.373 2.237 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1 2267004722 AWEKVCAVIDOJDX-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2267004810 IOLQTZIEOQZALI-IAGOWNOFSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267098417 ZDFVJNVKLRABBT-HUUCEWRRSA-N 446.357 2.275 30 10 IEEE CN(Cc1ccccc1)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2267120765 OQNSMEVUMXJHOS-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267147697 TXJKRJDKHRCLOC-CABCVRRESA-N 448.373 2.332 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCCN1C(=O)OC(C)(C)C 2267182300 DUDBSIYDGKKZAK-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1 2267220213 JOCJPYDCZDBYOU-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265091 ANDCAOKSKNWKKD-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267519012 HGZGQMHTKQJOTB-CABCVRRESA-N 448.373 2.474 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268679276 MHQYMQJXDZOXTG-GOSISDBHSA-N 448.369 2.484 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(=O)O)Cc2ccccc2)n1C 2315635469 JVRDMEJYKFVRDI-UHFFFAOYSA-N 427.310 2.145 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2321011769 QILZIMZEJFKJOB-OYRHEFFESA-N 430.314 2.162 30 10 IEEE N/C(=N/O)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 96708893 YKPLFFMIIHFKHY-QMMMGPOBSA-N 441.145 2.359 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NC2CC2)[nH]1 253566708 JGTCSCISPMQMCO-SRZZPIQSSA-N 439.549 2.182 30 10 IEEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3cc(Cl)cc(Cl)c3O)[nH]2)CC1 253569194 MBDUXKZEPVELHD-UFWORHAWSA-N 444.348 2.129 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)ccc1Br 409941512 KBEHAJHNQHNRBV-IUODEOHRSA-N 431.294 2.094 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)nc1 439853658 OMYDDGYXNMUVDJ-UHFFFAOYSA-N 433.468 2.135 30 10 IEEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C#N)cc3)c2)no1 440184307 HGZGJCHHHTZFNF-UHFFFAOYSA-N 426.454 2.464 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 443478842 VJWBISDOGGTFLV-CYBMUJFWSA-N 440.294 2.082 30 10 IEEE N#Cc1cccc(OCCCN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 477160273 FXICVTUOFWIPPO-UHFFFAOYSA-N 430.486 2.242 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1-c1ccsc1 478861393 VDUOSDPOAZIVSX-UHFFFAOYSA-N 439.537 2.467 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 481205669 CIQPVMDDIIFSJV-FQEVSTJZSA-N 431.514 2.146 30 10 IEEE CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cnc(C)c(C#N)c1 489467914 WLUWDPCTDAXXNH-UHFFFAOYSA-N 426.420 2.217 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508860167 YHJVBZYNWSQBSF-UHFFFAOYSA-N 428.924 2.056 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2Cl)CC1 508907971 QCMHBINEOSGQBZ-GOSISDBHSA-N 431.924 2.097 30 10 IEEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508920196 IUGJGWORCHOWGO-UHFFFAOYSA-N 434.548 2.122 30 10 IEEE CN(C)c1nccc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 533393484 CQPLQOWUDQYVDT-UHFFFAOYSA-N 425.562 2.115 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 581972096 WAOXWRJBZSXZHI-DYVFJYSZSA-N 441.504 2.273 30 10 IEEE Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585489984 UWHKIOBMCJIICQ-UHFFFAOYSA-N 435.513 2.306 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc3c(c2)CCO3)c1=O 614891482 XWEJMCYZUAWVQP-UHFFFAOYSA-N 444.512 2.425 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 679755648 ZIFOKPLKYZQSER-OAHLLOKOSA-N 444.578 2.421 30 10 IEEE C#Cc1cccc(N(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)c1 728536631 RYRAZJGBMRQSGJ-HXUWFJFHSA-N 428.510 2.360 30 10 IEEE C[C@H]1CCCN(Cc2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C1 732443902 FPMSVYOFHWVHEP-SIUCFOQUSA-N 425.533 2.244 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(N)=O)cc1 733202338 QFUKUDDSNXMKCO-GOSISDBHSA-N 436.493 2.475 30 10 IEEE COc1ccc(CNC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1C#N 742366499 HUVUKDUXNRVFSP-UHFFFAOYSA-N 442.541 2.468 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCc4ccccc43)n2C[C@H]2CCOC2)CCN1C1CC1 752849316 UBQSVQCWORBHMP-KNQAVFIVSA-N 447.587 2.444 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)ccc1F 759791289 STSLAIOPHQFKOY-UHFFFAOYSA-N 426.491 2.254 30 10 IEEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763713860 QCPRBEMYIMCUSZ-UHFFFAOYSA-N 440.410 2.336 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2nc3cccc(C)c3[nH]2)C1=O 765545978 ZXJSVCGITSMJFC-RXYYWTOOSA-N 436.541 2.445 30 10 IEEE COc1ccc(N2CCN(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 780506126 FLHHYVPZBRNXLD-HSZRJFAPSA-N 430.549 2.195 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)cn2)CC1 787337071 VCIHFSXYHGGKNE-SFHVURJKSA-N 438.488 2.077 30 10 IEEE CS(=O)(=O)CC[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 789472068 JDDKBJZZPJILFA-QGZVFWFLSA-N 426.560 2.125 30 10 IEEE CCn1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)cn1 795171438 GKYGUKOCZJLQQC-GOSISDBHSA-N 446.552 2.242 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCO2)cc1 802693557 XHZXJTZKFQSBPM-UNMCSNQZSA-N 436.560 2.427 30 10 IEEE C#C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccc(Cl)cc1 811948359 BYGDDMZGTYTWIA-GOSISDBHSA-N 435.933 2.023 30 10 IEEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1 812074844 JHVMTOJRMQNHGG-MRXNPFEDSA-N 434.541 2.363 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCc1nc(CCS(C)(=O)=O)no1 904885911 OLSUPXUQFGJMKK-UHFFFAOYSA-N 430.280 2.269 30 10 IEEE COCc1nnc(CSc2nnc(NN=Cc3c(O)ccc4ccccc34)n2N)o1 1084167092 VHCKIKGOJRAPOA-UHFFFAOYSA-N 426.462 2.118 30 10 IEEE Nn1c(NN=Cc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084540348 IUYUCRHROMTJAU-UHFFFAOYSA-N 443.464 2.079 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(c3ccccn3)=NO2)cc1 1125202096 CKDSWGZGHHNLDH-VUSLFOADSA-N 427.486 2.026 30 10 IEEE Cn1nc(I)cc1C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1132134849 YEYBURWXNVGYBP-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE O=C(CCOCC(F)(F)C(F)F)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1134997523 XBMUKKKMTVQKES-CABZTGNLSA-N 429.354 2.262 30 10 IEEE CS(=O)(=O)c1ccc(OCCNC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 1136669772 OMKISRKINZWJDC-UHFFFAOYSA-N 429.498 2.266 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 1141818166 TVITYMPVMWWNMH-UHFFFAOYSA-N 443.504 2.289 30 10 IEEE C=CCn1cc2ccc(NC(=O)CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2n1 1156682791 HKTIUYHBJJHNIG-UHFFFAOYSA-N 441.513 2.488 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C3CC3)C3(CO)CCOCC3)ccc2c1=O 1163798171 JKTJHLNOFPDFRW-SFHVURJKSA-N 429.542 2.169 30 10 IEEE C[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(S(C)(=O)=O)cc1 1171869486 OHRSJJNKHBPDHU-ZDUSSCGKSA-N 438.502 2.060 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)C1 1177759466 QEERPPKLLKQQJM-AZUAARDMSA-N 440.544 2.292 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C#N)C3)cc2)C1 1194629076 IFWJUFMHTBFFIY-BRWVUGGUSA-N 425.576 2.277 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)C2)cc1Br 1209566888 HVTKUJQVZZQDDK-LBPRGKRZSA-N 430.299 2.235 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)C1 1230482080 WGODTGDJYSZNPF-JOCHJYFZSA-N 446.617 2.145 30 10 IEEE C=CCn1cc(CNC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)nn1 1276646219 LAHXTJQFOCPBMA-UHFFFAOYSA-N 443.554 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1286299600 XHDCIOOXHAZVSX-AUSJPIAWSA-N 436.965 2.199 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1286412786 DEVZOTAIBSAILH-RPWUZVMVSA-N 447.583 2.250 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCN1CCCO 1286442115 MGMOSIYCZFNREB-QFIPXVFZSA-N 433.560 2.437 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cnn(CC)c2)CC1 1286494890 VJBLWQLKAALZHG-UHFFFAOYSA-N 437.573 2.161 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286495562 ZPTJWHDAURYHND-UHFFFAOYSA-N 427.578 2.430 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)CC1 1286500571 WJODYPFHTPIJNJ-UHFFFAOYSA-N 437.367 2.071 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1)C1CC1 1286734890 IVXUJJQQWNEYEO-UHFFFAOYSA-N 441.561 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286822375 JEZKRSUPNWWNIA-FQEVSTJZSA-N 445.589 2.260 30 10 IEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)OC)CC2)no1 1292700889 AIYQJASWMVAKJC-UHFFFAOYSA-N 435.488 2.394 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1294068128 OXIDLLIIHJIBLA-YGCDDZCOSA-N 440.504 2.378 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1296619502 CIENUSCPDMVVAG-PKTZIBPZSA-N 444.580 2.463 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2Cc3ccc(C#N)cc3C2)cc1 1299941586 VXOFRCCWCSBOQI-IRLDBZIGSA-N 439.537 2.348 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CC=CCC2)c1 1300336837 OTMRWDLIVAMMMM-OAQYLSRUSA-N 434.544 2.448 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1300490644 AMEGGHOIIWYRNN-KRWDZBQOSA-N 431.562 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)C1(OC)CCOCC1 1300544960 IWZIWURPTBVSLE-UHFFFAOYSA-N 446.502 2.043 30 10 IEEE C#CCN(C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C1CSC1 1300607599 JRFUHSYUEHYGBD-UHFFFAOYSA-N 440.382 2.283 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1300699932 JUMHVMCVUABFMI-WMZHIEFXSA-N 427.549 2.045 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1301229154 IJKVFXGYMJKVRI-UHFFFAOYSA-N 431.610 2.370 30 10 IEEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1301279073 VILLWPHJUNMVOR-VLIAUNLRSA-N 436.603 2.303 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC 1302420600 UEQAZBOGJMYFMT-CYBMUJFWSA-N 443.736 2.462 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)cs1 1304666389 OWJSXLWSDPYKPO-HXUWFJFHSA-N 431.541 2.478 30 10 IEEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 1307977021 WPJHJSFBXVYNOV-SFHVURJKSA-N 443.573 2.166 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Nc1c(F)cc(C)cc1I 1310471875 FNWOPRWFNZNFDL-UHFFFAOYSA-N 426.251 2.461 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1 1312736317 MPBNBXLVHATXKN-UHFFFAOYSA-N 426.561 2.221 30 10 IEEE COC(=O)c1cnc(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 1313299787 QWBJZBLRQAMJRD-UHFFFAOYSA-N 427.486 2.362 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1316437897 RVZTVHHBSZRVJU-IRXDYDNUSA-N 439.545 2.137 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCCCCCO)cc1 1316531435 UCGFRBUSOGAALW-QFIPXVFZSA-N 443.573 2.384 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1358922487 GZJJMBPRULUUAP-IRXDYDNUSA-N 431.562 2.222 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(OC)C1CC1 1359003001 UYBGNLLBVRQPHI-JOCHJYFZSA-N 445.589 2.470 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359059657 VTOCIZWCYWZOEU-UHFFFAOYSA-N 434.573 2.055 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359162760 CTQBTBJWRVCROG-LJQANCHMSA-N 426.546 2.397 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCS(=O)(=O)CC1)C(C)C 1359265763 LREZOLBXQSSVJI-HXUWFJFHSA-N 446.621 2.217 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1359322356 UHYFYXLAJDLAON-NEYJZJCJSA-N 438.594 2.309 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CC(=O)N3CCCC3)CC2)s1 1441517231 ATTMTTCKIPBJLA-UHFFFAOYSA-N 439.603 2.006 30 10 IEEE COCC(C)(C)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1451869847 NTSQBWSUEVCRHO-UHFFFAOYSA-N 435.366 2.326 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OCC 1462158580 ZAASDCHIXQCGDB-LBPRGKRZSA-N 445.697 2.365 30 10 IEEE CCCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1463967403 IRSIGMPHPGNURN-MRXNPFEDSA-N 440.363 2.183 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1464488310 MWBPQDAAUSHJRQ-XHSDSOJGSA-N 431.961 2.412 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1468195884 QWZOTSDJCIOEGQ-CTNGQTDRSA-N 440.523 2.475 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1470959221 KCSCEOYHLULNHJ-DNQXCXABSA-N 448.567 2.410 30 10 IEEE COc1ccc(C(=O)NOc2cccc(C#N)c2)cc1S(=O)(=O)NCc1ccccn1 1472609680 MNWNKXAFZCASFX-UHFFFAOYSA-N 438.465 2.164 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@@H]1C 1494672867 AIJNFUQSNWCNBI-HUUCEWRRSA-N 434.591 2.086 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504520903 FSDVFOVWGSLBDE-RBUKOAKNSA-N 425.537 2.046 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1507577343 RDKVHXSDJWUBBZ-QHCPKHFHSA-N 439.516 2.243 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635023 OZAPEJMVBGYPIP-QFBILLFUSA-N 447.630 2.040 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1507636695 CJQZFKFYAASUMR-LJQANCHMSA-N 446.573 2.197 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCn1cc([C@H]2CCOC2)cn1 1507712783 PHOJFBQPWUAJHK-AZUAARDMSA-N 428.537 2.006 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCNS(=O)(=O)CC 1507769876 HIRFGWMEACXEON-OAQYLSRUSA-N 433.553 2.330 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507851003 XSMGXZFJDXNNGI-UHFFFAOYSA-N 438.857 2.289 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C)C1CC1 1507989016 VHOCIVJJBLOZGD-BTYIYWSLSA-N 432.546 2.043 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCN(C)C2)C1 1508131081 YIRAJHGQCRTFAV-ZQAYVECASA-N 433.597 2.045 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)[C@@H]1C 1512584262 AFCIZKCCWCLZMK-HZPDHXFCSA-N 438.561 2.321 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](OC)[C@H](C)CC 1516592767 RTTRQPTVHZRLIQ-IEBWSBKVSA-N 427.553 2.469 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCO[C@H]1C 1519149575 AOKDEXNMCLYJSB-WGGBDISSSA-N 441.532 2.194 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCO[C@@H](c4ccncc4)C3)C2=O)cc1 1525988310 WJHDDSNJDGTOFI-MISYRCLQSA-N 433.468 2.195 30 10 IEEE Cc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)ccc1C#N 1531381143 SIINLGYJGHWFKV-DZGCQCFKSA-N 440.422 2.255 30 10 IEEE CC(C)Oc1cc(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538308641 NFVLQZPYUMJLLK-GUYCJALGSA-N 427.320 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1538971115 GQPYQFQKSBZFCZ-HZPDHXFCSA-N 428.562 2.379 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539029018 GPWFLSHDCUWFGA-RBUKOAKNSA-N 445.589 2.356 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539079708 YYWIYCGFYCXQTG-FQEVSTJZSA-N 438.580 2.329 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1539391160 ADPYHTZJUCHCKZ-RBUKOAKNSA-N 446.548 2.386 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@@H]1CCCS(=O)(=O)C1 1539391790 ICEQUVGNJXJPSB-SFHVURJKSA-N 434.537 2.418 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539526488 KXLCLHARBXXUJC-JOCHJYFZSA-N 441.557 2.091 30 10 IEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539586277 HTTIBSHZFPZTLX-GFCCVEGCSA-N 438.717 2.116 30 10 IEEE C=C(Br)Cn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539608602 ALAVORAGOPDNLG-KSSFIOAISA-N 443.342 2.227 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539705483 WGUJBPYPIYLYHJ-GOSISDBHSA-N 427.553 2.128 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1539750955 XXTRZXIYJCWDPC-FQEVSTJZSA-N 441.532 2.346 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1539752329 KCBTXCQDDBUXPM-UHFFFAOYSA-N 447.605 2.288 30 10 IEEE C=C1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1539843028 WLDXRZZSAZAXBV-UHFFFAOYSA-N 445.574 2.240 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)C1 1539936072 ZJBFXSHPEWHSPT-QFIPXVFZSA-N 446.573 2.074 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CSC[C@H]3C(=O)NCC3CC3)C2)C1 1540577675 CPOOWKAIHFERLD-IZCOPSDLSA-N 448.589 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1540868495 HQAMPXVRAXJHRV-SJORKVTESA-N 427.553 2.097 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540916636 DFNABVFEEJSSDU-MRXNPFEDSA-N 441.557 2.434 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC2)nc1 1543555228 RNDRBAQWTXNXOL-UHFFFAOYSA-N 431.250 2.169 30 10 IEEE CCc1nnc(N2CCC[C@@H]2c2ccc(COC)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1546510913 PMLSGDLGCSFBKZ-FVGNFYTDSA-N 440.504 2.448 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)cc1 1547758149 GWGUMIDQNXQRHY-AOMKIAJQSA-N 444.511 2.242 30 10 IEEE COCCNC(=O)[C@@H]1CN(C(=O)C(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367975 AKBZUKBZCNNEHF-KRWDZBQOSA-N 426.439 2.013 30 10 IEEE COC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1554577288 INUADDLTHLQRRE-UHFFFAOYSA-N 449.563 2.158 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1558110254 DUXGTPLPGOETHX-MSOLQXFVSA-N 444.557 2.166 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCN(c2ccccc2C#N)CC1 1565560572 FFEIFSQGEAYTTE-UHFFFAOYSA-N 426.542 2.470 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2C1=O 1584005824 DZRVEDOJBSLJIR-QHCPKHFHSA-N 443.500 2.224 30 10 IEEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H](C)CS(=O)(=O)CC 1586205378 VZPHRVKAASMBDE-DILDSAGESA-N 441.594 2.445 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCCC2)CCOCC1 1587684357 WVFDCRNXNJSXJM-UFYCRDLUSA-N 431.581 2.105 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1587765719 JEXPTIBIMRMFBT-VGOFRKELSA-N 446.548 2.221 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1588029029 CEEKMDJWLSORRP-NOYKIMNZSA-N 434.606 2.360 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1588045521 MDBJKZSLJDXTQR-QGZVFWFLSA-N 434.537 2.264 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588058928 FPCZCUSIAAUXEL-VQTJNVASSA-N 435.638 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1589528383 GBGLVAUOSQZIDD-RXVVDRJESA-N 441.580 2.355 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1594627464 VIGSYBCYUUMBGG-SFHVURJKSA-N 448.593 2.155 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 1594627590 VVWSIVGBWOPLRU-ULQDDVLXSA-N 443.639 2.298 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)=O)CC1 1594714173 SYPVKKPCWIPYQH-UHFFFAOYSA-N 445.593 2.263 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCOC1 1595099415 ASPJVLZYIGFGAO-DEOSSOPVSA-N 430.512 2.480 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 1595501018 JKNDKGKKABWDRT-UHFFFAOYSA-N 448.556 2.292 30 10 IEEE COc1ccc(C(=O)NCc2ccc(C#N)s2)cc1S(=O)(=O)NCc1ccccn1 1611455268 ZMBDRFAEUGUSLQ-UHFFFAOYSA-N 442.522 2.432 30 10 IEEE NC(=O)[C@@H]1CC(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)=NN1c1ccc(F)cc1 1611602381 VLMKSIBLDBZQEM-JTQLQIEISA-N 432.271 2.195 30 10 IEEE N#Cc1ncc(N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)nc1C#N 1612344843 CKLCHJYNOAINDU-CYBMUJFWSA-N 447.318 2.248 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620347788 COXZWWSVCFEAEN-JRWGXLCNSA-N 449.490 2.032 30 10 IEEE N#Cc1cccc2c1CN(C(=O)CCCNS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1631763959 PYRXLAFWKQZBBK-UHFFFAOYSA-N 441.509 2.320 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1632829910 DTEQZJVEONQLCB-FUHWJXTLSA-N 425.432 2.079 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1636469289 LBMBMZMOKOLXQF-ZBFHGGJFSA-N 433.368 2.195 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@H]2CCCN3CCSC[C@@H]23)nn(-c2ccccc2)c1N 1638402097 FTJCSRQHBZXXIY-PMACEKPBSA-N 439.589 2.138 30 10 IEEE N#CCNC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1641544813 NMPWNYNFMKFJBX-UHFFFAOYSA-N 441.296 2.164 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 1650846229 OFPSAPFPJZZWGW-UHFFFAOYSA-N 429.567 2.204 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 1653513470 GUWVLWSKAFITKB-QFIPXVFZSA-N 447.557 2.214 30 10 IEEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 1660950520 PUJMAPGOPXXNLL-INIZCTEOSA-N 439.541 2.324 30 10 IEEE C#CC1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)CC1 1667395337 FVBPUNFVEXWGEY-KRWDZBQOSA-N 433.530 2.137 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2C)CC1 1668272692 HHFCPEULJSZIFN-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cccc(CN4CCOCC4)n3)C2=O)cc1 1673558794 DOGLLUWMHOWJOQ-HXUWFJFHSA-N 434.500 2.103 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1690195341 JIOCZGCYWJGQKG-PKTZIBPZSA-N 442.516 2.114 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690227659 DQGJTYYJEFUWRX-VWYCJHECSA-N 438.248 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C 1690255085 NWWTWBSGVANNAR-ZACQAIPSSA-N 430.553 2.030 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCOCC1 1690661260 YHMRQEMDSDFYSP-QGZVFWFLSA-N 429.521 2.346 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(C)(=O)=O)C1 1690687653 GMZJIWKATMNMGS-IBGZPJMESA-N 445.589 2.079 30 10 IEEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCS1 1691981647 QKLLNWWASSJVQG-GOSISDBHSA-N 448.618 2.334 30 10 IEEE COCC1(Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOCC1 1697803160 OIULKHWEELBISA-UHFFFAOYSA-N 426.521 2.380 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC(C)C 1705482335 XCUSUIKEYUXQHV-HNNXBMFYSA-N 429.521 2.344 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cccnc1N1CCOCC1 1705556847 LSAHKBILTGBNAU-UHFFFAOYSA-N 446.555 2.421 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705559332 YGZXHLGEZWRXAW-QGZVFWFLSA-N 435.594 2.013 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1705564075 KUWBORCRTJPEAQ-INIZCTEOSA-N 444.586 2.032 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cccnc1OC 1705575727 VCVBZNYIYBPUSB-UHFFFAOYSA-N 447.495 2.496 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705636870 ARLOBDWTXLRZAW-HXUWFJFHSA-N 440.567 2.196 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)CCC)CC1 1705642736 GBXNQTOBGYKLAV-QHCPKHFHSA-N 427.549 2.172 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1705712827 JIKSJQMEQSUGKI-HSZRJFAPSA-N 445.564 2.440 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705891974 LUFPZHPLRZPEKF-UHFFFAOYSA-N 443.621 2.344 30 10 IEEE C=CCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1705893951 WWJAWFWMNFKRQS-SFHVURJKSA-N 431.459 2.011 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C 1705904334 MMLVBWWPTWNZEJ-INIZCTEOSA-N 448.568 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)C1 1705925761 TZHKDVZJYMIZRU-PBHICJAKSA-N 438.500 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(OC2CCCC2)CC1 1705931797 AWVQPURZAWWFNV-UHFFFAOYSA-N 446.577 2.264 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1706068275 HLXDONLLTQJUAJ-DLBZAZTESA-N 446.577 2.218 30 10 IEEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1706377655 BONGLNXNJBSWLS-LJQANCHMSA-N 430.578 2.266 30 10 IEEE CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1709556587 FBFGJTVWKUIDEF-MSOLQXFVSA-N 428.537 2.232 30 10 IEEE CCCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1709676390 KUYDXHMDUAQBFW-QFIPXVFZSA-N 439.495 2.451 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1712622351 PHMCZQMJUOZQOX-BPAFIMBUSA-N 438.532 2.075 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1722339593 XQZUHFAMHXHGFS-UHFFFAOYSA-N 428.487 2.419 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722365475 OITLWJNPXSUWEF-OXQOHEQNSA-N 443.573 2.425 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1722420641 KTYBMKPVGZFDEE-QFIPXVFZSA-N 436.560 2.260 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722457773 NFZPFOOKOZKGCC-FQEVSTJZSA-N 439.633 2.231 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1722469281 XWGLOBKZMBYJHN-PKTZIBPZSA-N 441.532 2.220 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCNS(=O)(=O)CC 1722497968 JWDQQMNWDVIEBY-JOCHJYFZSA-N 445.589 2.487 30 10 IEEE C=CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722740065 OWEDGDFZKBKYIK-RTWAWAEBSA-N 438.594 2.234 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1723777441 FFPGYKFMKLXJOG-SJORKVTESA-N 436.557 2.487 30 10 IEEE Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1724101935 AAVUNRHKUNNRDL-MRXNPFEDSA-N 437.529 2.048 30 10 IEEE Cc1cccc(N(C)c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1724234854 KJELWRPPEKJSCY-VZCXRCSSSA-N 449.515 2.117 30 10 IEEE Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1726355324 GJJLGZCPXXQTNI-PMACEKPBSA-N 428.562 2.299 30 10 IEEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731191033 XNMGOUQHGNCMPL-PKOBYXMFSA-N 426.496 2.148 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O 1740541098 RVNPWKJDYLLRAZ-LLVKDONJSA-N 446.396 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1740554015 VSYPGIPPRJSTRL-FUHWJXTLSA-N 443.573 2.403 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCc1ccnc(C(C)(C)C)n1 1740642506 XGUADDWGOUGENC-UHFFFAOYSA-N 433.560 2.194 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1740660550 VPGNEOLHALVXDV-GDLZYMKVSA-N 433.965 2.232 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1740689076 YXUMTMRENRGKBH-HXUWFJFHSA-N 425.581 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)OC)CC1 1740707579 HTGJMHIZGOUZDO-IBGZPJMESA-N 439.560 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCOC2)C1 1740975537 WBKXVTMQJWZBOI-IBGZPJMESA-N 444.557 2.477 30 10 IEEE CC(C)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1741362705 SWEBSFODOUHLMW-IBGZPJMESA-N 430.578 2.281 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCSC1(C)C 1741675737 KIVBKLWPNIGGKQ-RDJZCZTQSA-N 431.610 2.125 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 1741726397 ZRAFWAUZPBONNQ-JOCHJYFZSA-N 432.569 2.363 30 10 IEEE CC/C=C\Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1745113788 PMHWIAXXOXVCON-UZQCKINESA-N 437.548 2.490 30 10 IEEE CCCN1CCC(N(C)c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1745701307 RXCGPORUTHVFNH-LSDHQDQOSA-N 441.580 2.383 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1745893777 CXJDOHAEMPGZMC-UHFFFAOYSA-N 440.548 2.196 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1748697765 MPYJFDQQJSYQJI-LJQANCHMSA-N 428.581 2.007 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ncccc1F 1748776541 JWFKSVTZMVWNEW-UHFFFAOYSA-N 429.477 2.031 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748880048 LDOPPTKWXLJZCH-LJQANCHMSA-N 446.477 2.456 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1748913417 VHMZUAKRLBCOIZ-HSZRJFAPSA-N 425.533 2.128 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749133965 SDONXBJWZWIIBI-NBQZKYEYSA-N 430.578 2.282 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1749560963 XFEOTXAXXKHGGO-UHFFFAOYSA-N 425.537 2.215 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)nc1 1749586991 DHHIDFDXUPOGDG-UHFFFAOYSA-N 432.488 2.049 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1749694599 TUPBEZVYZOQISX-IBGZPJMESA-N 447.561 2.169 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1750140970 HTVKYYKKCMVANA-FYQPLNBISA-N 433.553 2.184 30 10 IEEE CC(C)N(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750882537 HSSKFMMARNSRSQ-UHFFFAOYSA-N 449.538 2.413 30 10 IEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1750997843 AJTWGCRQNFSAFZ-NRFANRHFSA-N 449.559 2.156 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760146579 QAYNAJUEKVAELX-DLBZAZTESA-N 449.552 2.441 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@H]1C 1760213132 QTAMSJRQQAITON-JPYJTQIMSA-N 440.569 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1conc1COC 1760219478 FTKVBHFCRHLEED-NRFANRHFSA-N 433.468 2.436 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOCC 1760318072 LPIXHMHLZCRELY-AZUAARDMSA-N 438.536 2.375 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)C1 1760351322 GHWIEZAYAWWZMF-PKOBYXMFSA-N 433.578 2.475 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)OC 1760479982 GYZZEOKFCKQBMX-LPHOPBHVSA-N 429.546 2.279 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCOC(C)(C)C 1760522599 XHSXJKCDTOOPQR-SFHVURJKSA-N 429.521 2.344 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1769516571 NBGQPGYHRZUISS-OAQYLSRUSA-N 429.546 2.257 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)C1 1771345120 BCZDUMBVDLKBEM-IBGZPJMESA-N 427.530 2.177 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(Cc2ccc(C#N)cc2F)CC1 1848564342 XKWNEVIIKQZREC-IBGZPJMESA-N 431.537 2.193 30 10 IEEE CC(=O)N1CCC[C@@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)C1 1854608989 SAAIBQVVWDSFFX-QAPCUYQASA-N 430.936 2.337 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 1862574541 LTWIGYQOYCGILJ-SFHVURJKSA-N 428.397 2.183 30 10 IEEE COc1cc(-n2nnc(C#N)c2NC(=O)c2cccc(NC(C)=O)c2)cc(OC)c1OC 1870149204 NFMNOKLXKQTDDQ-UHFFFAOYSA-N 436.428 2.375 30 10 IEEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 1872637173 GCLWMZJXEFSQSK-UHFFFAOYSA-N 442.472 2.395 30 10 IEEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1O 1874280547 VAQGUAXPGUDTLY-VPNURPJOSA-N 433.534 2.073 30 10 IEEE NC(=NO)c1cc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)ccn1 1923086206 PCYSNBAOUUMBFZ-UHFFFAOYSA-N 445.523 2.377 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1985008222 GCERVPDFEYBPNH-JYJNAYRXSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1cc(C(=O)O)ccc1I 2009896387 JEPZNKWDVSTGPA-UHFFFAOYSA-N 444.225 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H]1CCOC1 2141677907 KLKTWEMXMSSYGH-YOEHRIQHSA-N 447.341 2.249 30 10 IEEE COC1(CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CN(C(=O)OC(C)(C)C)C1 2224070435 BXLSDYFGYDZNPO-UHFFFAOYSA-N 433.358 2.241 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2224094337 RMRHXCDRPBQZIY-DJIMGWMZSA-N 431.342 2.109 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2224134955 AAJHHBHTGVMRIO-USXIJHARSA-N 433.358 2.457 30 10 IEEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247881701 CQMNNRBWRVNUIZ-UHFFFAOYSA-N 431.367 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603491 FDDJWIFPUOGHLU-CQSZACIVSA-N 434.346 2.084 30 10 IEEE CC[C@@H](CNC(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255636599 WLLGTLKORFJMJT-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255824380 GYXZGTYQOILFCE-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CCN(CCN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2255839115 QJZGKTYPOHKJQE-UHFFFAOYSA-N 434.346 2.105 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C#CCNC(=O)OC(C)(C)C 2256622188 DETIKWSZVWOYPW-UHFFFAOYSA-N 430.310 2.461 30 10 IEEE C[C@@H](C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)N1CC(NC(=O)OC(C)(C)C)C1 2256679299 WBOPBJLVZCGBJP-HNNXBMFYSA-N 435.374 2.374 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2257487669 PBNXEHYWXFUZET-WKILWMFISA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267145699 IHNNMMBPSHQJBM-QFIPXVFZSA-N 446.357 2.325 30 10 IEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267547354 JEWFQHFZZBQUTD-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2267548581 HAOBHICRKJSONN-HUUCEWRRSA-N 446.357 2.197 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)n1C 2315524016 QREQANHHTVFJDX-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE CC#CCN(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2316100094 VOBQKMFZTAVZDE-UHFFFAOYSA-N 449.382 2.319 30 10 IEEE COc1cc(C=Nn2cnnc2SCC(N)=O)cc(Br)c1OC(C)C 2321266408 ZUJKDCUQHKKVBV-UHFFFAOYSA-N 428.312 2.296 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322257296 SOGHHFXGVCKNPA-XJKSGUPXSA-N 438.305 2.438 30 10 IEEE COCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(O)cc1O 2331293225 JGJWPMLBDWPXGZ-UHFFFAOYSA-N 433.534 2.301 30 10 IEEE CCOc1cc(C=Nn2c(CCOC)nnc2SCCO)cc(Br)c1O 2331311532 REQODCHLGMEEIH-UHFFFAOYSA-N 445.339 2.300 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)CO2 2342840835 PCLDCIFAZPTQBJ-WCCYLALTSA-N 448.369 2.447 30 10 IEEE CC1(C)OB(c2ccc(CN3CC[C@H](S(C)(=O)=O)C3)cc2Br)OC1(C)C 2377420809 VOEKRMATIDOPHZ-AWEZNQCLSA-N 444.200 2.367 30 10 IEEE CCOC(=O)N1CCN(/C(=N\C(=S)NCc2ccco2)Nc2nc(C)cc(C)n2)CC1 14161524 KLKQXQPWBSGOFD-UHFFFAOYSA-N 445.549 2.303 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 21077232 UOTSQFAKEMNGIX-ODCIPOBUSA-N 439.432 2.004 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3cccnc3)n2)cc1OC 59310376 ZSCZNMNHMYTHPD-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE COc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c1 170431171 TXGXXOGZENCNPX-SFHVURJKSA-N 430.482 2.468 30 10 IEEE O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254819323 HLQVODBTNRTSEF-YJBOKZPZSA-N 446.506 2.096 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CCC1 430987316 KHVIOAXDMFIGLV-UHFFFAOYSA-N 425.554 2.290 30 10 IEEE N#CCCn1ccc(NC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 438325435 ZQSKIJWABLVFKC-UHFFFAOYSA-N 449.437 2.604 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440388727 WCOXHMCSETXROU-GOSISDBHSA-N 449.463 2.079 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 479306131 AYDXKDDZBAKGEF-UHFFFAOYSA-N 426.542 2.225 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccnc(C#N)c1 483057145 MSLABHNZUQBZRN-UHFFFAOYSA-N 443.529 2.073 30 10 IEEE CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 500228802 BDIBCETVVJUTRX-UHFFFAOYSA-N 434.539 2.239 30 10 IEEE C[C@@]1(c2ccc(CNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)NC(=O)NC1=O 509685147 NTHAESHYYMUXSI-DEOSSOPVSA-N 447.495 2.366 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[C@H]1c1cccnc1 510822058 RMETVPDHJPDJCU-NZQKXSOJSA-N 440.507 2.370 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 513786481 HTAOHBKYDPCLMH-UHFFFAOYSA-N 431.945 2.372 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 517885631 CEAHKHHQNOPQBS-QFIPXVFZSA-N 448.548 2.383 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](C#N)C3CC3)cc2)cc1 518705785 ARGXYINHRBUCAA-FQEVSTJZSA-N 426.498 2.155 30 10 IEEE CCN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 518713011 LABITQHIHWQUJJ-UHFFFAOYSA-N 438.981 2.167 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 523357956 UYLZPAUYBOGPKI-IBGZPJMESA-N 445.504 2.368 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)cc1F 523860880 KPRHHJAHSYKCHC-MRXNPFEDSA-N 444.528 2.355 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(CC(=O)N2CCN(C)CC2)CC1 532703426 NXCJLHITVBBKLO-MRXNPFEDSA-N 443.617 2.312 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)n(-c2ccc(F)cc2)c1C 563698413 WNTTVRAPOFBDOT-SFHVURJKSA-N 436.495 2.422 30 10 IEEE COc1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCO3)CC2)ncn1 577044308 LGPBJWQNDDWQCE-LJQANCHMSA-N 446.515 2.121 30 10 IEEE COc1ccc(Cl)cc1CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586864546 XYHYAZFRJMDNQW-UHFFFAOYSA-N 444.894 2.320 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@@H](C)O1 609255419 AZMRWELCZFPYTQ-GASCZTMLSA-N 438.459 2.202 30 10 IEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 670200462 JNNOFVGYELEYOC-QGZVFWFLSA-N 442.568 2.480 30 10 IEEE CN(CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCN(c2ccccc2F)C1=O 732800113 XWCDAMVLPDVMSO-AUSIDOKSSA-N 435.459 2.159 30 10 IEEE COC(=O)c1sccc1S(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 733676007 MBKFTWKWYFXUQO-UHFFFAOYSA-N 449.510 2.067 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3C)n(CCC)c2=O)cn1 735069230 PHZVZOMDMCNZCF-UHFFFAOYSA-N 435.553 2.377 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccc(C#N)cc1 740212302 MBZYETWHVXWZDQ-SFHVURJKSA-N 432.429 2.209 30 10 IEEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCO1 741249057 QLSJTWZHFOPEBR-LJQANCHMSA-N 428.464 2.307 30 10 IEEE COc1ccc(Cl)cc1-n1c(=C(C#N)C#N)sc(=Cc2cnn3ccccc23)c1=O 752832610 SAWIWKFRASGBLT-UHFFFAOYSA-N 433.880 2.235 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 763436211 JHGPGOBPQPVYGV-AZUAARDMSA-N 444.532 2.369 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(OCC(=O)O)c1 767106749 HPXOGVQPXVPDSU-QGZVFWFLSA-N 445.497 2.242 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C2CC2)C1 772334633 HAJFLEDEIYKZPB-LJQANCHMSA-N 447.557 2.473 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccc(Cl)cc2F)sc(=Cc2ccoc2)c1=O 773230218 IHWYGGZIMPGTJE-UHFFFAOYSA-N 432.860 2.328 30 10 IEEE COc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCCC1 780848921 SDMYRBCQTKWRMA-FQEVSTJZSA-N 429.498 2.414 30 10 IEEE Cn1ncc(Br)c1/C=C\C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 782341019 HKGJNKVIDSSLPY-WAYWQWQTSA-N 440.319 2.100 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(Br)cc1F 788036818 NJTBXHYLRVKOBC-VIFPVBQESA-N 444.731 2.053 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)c(F)c2)n1 788695490 PTFANTKVQJIKOO-UHFFFAOYSA-N 430.299 2.255 30 10 IEEE C=CC[C@]1(C(=O)OCC(=O)NC(=O)NCc2ccco2)CCCN1C(=O)OC(C)(C)C 791720378 PKUQODUPNKWQJK-OAQYLSRUSA-N 435.477 2.494 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc(-c2cccc(F)c2)n1 793853819 VUMPZUNODDDCCE-UHFFFAOYSA-N 443.460 2.011 30 10 IEEE COc1ccc(C2=NN(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)[C@@H](c3ccco3)C2)cc1 798740266 OTPBCSUGWHCZBT-RDTXWAMCSA-N 448.439 2.233 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCO2)cc1 802684180 NHUQGDFNOUCCBU-PZJWPPBQSA-N 433.516 2.084 30 10 IEEE Cc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1S(=O)(=O)NCC#N 804738444 QEJZGGKFQPMNQI-UHFFFAOYSA-N 438.303 2.195 30 10 IEEE COC(C)(C)c1nc(C)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)s1 811242458 PULZITLCIVTWSF-UHFFFAOYSA-N 447.517 2.007 30 10 IEEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 811947187 WMEPHEUAMNRFHA-HOTGVXAUSA-N 428.938 2.459 30 10 IEEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 812470015 NOFBXRFKLFIPIY-PLNGDYQASA-N 430.509 2.336 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 888086562 GXDOZSMUPXSHBG-ZDZHDQKZSA-N 434.916 2.471 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccccc1 917774340 KNIUZZLNLLNAKG-UHFFFAOYSA-N 441.516 2.208 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=C(C)c2ccccn2)n1N 1084389969 FLONPYHKOYESCQ-UHFFFAOYSA-N 426.506 2.353 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cc1 1125136543 IEKBKGUTGFKXKX-DABWLCNRSA-N 442.497 2.228 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CCO2 1133450159 PMUNHTHVPJNKFC-JRAJSIKGSA-N 445.903 2.182 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2CC(C)C)CC1 1144028663 VMHDMTNHENKRQP-DNQXCXABSA-N 438.616 2.064 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 1170331955 CMZBFADYGMCILI-IBGZPJMESA-N 432.952 2.372 30 10 IEEE C=CCOc1ccc(CC(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1271164189 UOXZTKSCLIRDOO-JOCHJYFZSA-N 425.533 2.131 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286329324 UUTBYSPDWXFIND-OFNKIYASSA-N 449.603 2.056 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286390479 AJBBJCMCEBXICX-MOPGFXCFSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1286430919 LEVSLTAXOUWLBH-MSOLQXFVSA-N 444.532 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccnc1OCC(F)(F)F 1286461982 BIOLARQEOPDLSJ-UHFFFAOYSA-N 447.421 2.206 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1286476362 VCPTUHJSWPTNMH-WJOKGBTCSA-N 434.569 2.022 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cc1 1286793388 DAVSLLWEECBOFI-HXUWFJFHSA-N 449.559 2.206 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286824345 BIHJFSQCLDZRSG-UHFFFAOYSA-N 445.593 2.052 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286830730 PNGULNXWBDCUGO-SJORKVTESA-N 430.582 2.198 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCCC2)CCOC1 1288321980 NJIXSQQZDGPUNW-UGKGYDQZSA-N 433.553 2.397 30 10 IEEE CN(C(=O)[C@@H]1CSCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 1290389798 SHTFPBPEOHZWTP-KRWDZBQOSA-N 449.374 2.279 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1296250780 DYXLVFFJENXKRR-FGZHOGPDSA-N 432.569 2.223 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300292583 KGAZMIBRWBOULY-IBGZPJMESA-N 429.528 2.147 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1300457387 CPYPYEYZYYOOLT-CVEARBPZSA-N 428.537 2.088 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1300674733 DQLQLZYRHJNOKN-NRFANRHFSA-N 431.924 2.075 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300981334 YAPLZSHLZWNGPD-KRWDZBQOSA-N 429.521 2.257 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1300989548 PLINNDRHWWPECT-KURKYZTESA-N 440.610 2.413 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@](=O)CC)CC1 1301079617 IOOJMTJAAIWEKO-SSEXGKCCSA-N 426.546 2.117 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301434545 YABAJLRITHQYHL-AWEZNQCLSA-N 447.565 2.010 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC)CC1 1301602478 QHPDLXPHASRKNH-UHFFFAOYSA-N 444.561 2.097 30 10 IEEE CC(=O)NCCCn1c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nnc1C(C)(C)C 1301937732 PUMIWWBHQBNIBF-UHFFFAOYSA-N 440.552 2.165 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN(C)C(=O)OC(C)(C)C 1302244863 ZIKBUDFJRUWXOX-IKGGRYGDSA-N 436.557 2.465 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1NC(=O)OC(C)(C)C 1304296827 XSNMFWGLAXHCMK-MLGOLLRUSA-N 425.482 2.108 30 10 IEEE C=CCC1(O)CCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)CC1 1308087943 AWILKNRPKRIUIB-UHFFFAOYSA-N 447.580 2.010 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br)C(=O)OC 1309760420 GCZDJYRUHIRBKA-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 1310320357 DKSXISXQSOROMB-UHFFFAOYSA-N 431.543 2.415 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1316505946 AGYSNZPJJCJHSI-INIZCTEOSA-N 438.532 2.259 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2Cl)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1345026092 ULUNJIJTNUEOFT-WMZOPIPTSA-N 448.976 2.186 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1358871134 AGMALHSRRFZUAD-CVEARBPZSA-N 448.568 2.134 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H]1C 1358885335 HXWWPHWLKVGBIW-SJORKVTESA-N 429.594 2.180 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1358918910 KUBUSGRHDADEEJ-RTBURBONSA-N 428.581 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nc(C)cs1 1358975686 AMCGCJRBVDMRPF-UHFFFAOYSA-N 439.570 2.124 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](C)C1 1359054792 HZNSBQNTZQQPKL-IYBDPMFKSA-N 448.618 2.218 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359125594 LCRUVBQPGQKTPI-KKUMJFAQSA-N 431.459 2.083 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359136332 GQTYILUNDXHBDM-XLIONFOSSA-N 441.532 2.173 30 10 IEEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359168436 UNNDOCXECRIMMH-JOCHJYFZSA-N 446.573 2.180 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359169001 QAGZHSFLSHHSBA-UHFFFAOYSA-N 441.532 2.304 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1359281888 LUVLNYRWLOLFJR-GOSISDBHSA-N 439.626 2.084 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1scnc1C 1359296368 HBSUKQVKJNCJKC-UHFFFAOYSA-N 440.529 2.420 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(COC)c2)C1 1359319510 AJPWEVLYAPEDHD-HKUYNNGSSA-N 429.496 2.344 30 10 IEEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 1360412917 FZUPTJWQOMVENC-UHFFFAOYSA-N 444.561 2.028 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1435553227 QPNQRRFMTYAZMH-IRXDYDNUSA-N 441.536 2.363 30 10 IEEE N#C[C@@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(OC(F)(F)F)cc1 1445083676 BFIRUUWMELBMAV-MRXNPFEDSA-N 443.403 2.383 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1453883461 NEXATJKDROKCEQ-BGYRXZFFSA-N 445.585 2.318 30 10 IEEE COC1([C@@H](C)NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOCC1 1478843182 CPVDGFICLYTEMY-OAHLLOKOSA-N 429.477 2.222 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1479278129 YNRJEFQVSQERAA-VXKWHMMOSA-N 447.539 2.243 30 10 IEEE CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C[C@@H]1C 1502265141 KNWOXVFIVBRJAM-CLWJZODNSA-N 428.537 2.434 30 10 IEEE COC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1504554266 ALAARCLOTGDJBI-FXAWDEMLSA-N 438.532 2.246 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1[C@@H]1C[C@H]1CF 1504877293 ZTTQLUQJXWQJPJ-RBUKOAKNSA-N 426.496 2.456 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCn2ccnc21 1504887194 OENSDCUSLWTHEE-IBGZPJMESA-N 437.552 2.280 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1507593375 NWZSEMUNIKOXJZ-QGZVFWFLSA-N 443.573 2.415 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507747659 JPFGKDOGQQQBHD-UHFFFAOYSA-N 435.557 2.207 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1507750330 QRXWKJPOPIOHKM-UHFFFAOYSA-N 426.550 2.295 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1507752072 VAYATRPHCOOPIM-CYBMUJFWSA-N 430.559 2.495 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1507820901 PHWQZKBBXJSMHR-OALUTQOASA-N 439.626 2.084 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1508118028 QIGYMOMDHLZWIR-FCHUYYIVSA-N 436.560 2.445 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1508798662 IKMCYIINBKBEIC-HXUWFJFHSA-N 448.531 2.022 30 10 IEEE C[C@@]1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1510357263 SXRGVKHRGHUCMX-FXAWDEMLSA-N 433.896 2.045 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1515894153 QUHGQHPDTVQTKQ-HRAATJIYSA-N 446.962 2.461 30 10 IEEE CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c(C#N)cn1CC 1525795524 FNACSGSIUJQPEX-UHFFFAOYSA-N 434.474 2.186 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1526767484 CGVKFXFVYFCDEM-SFHVURJKSA-N 441.553 2.215 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1 1537491580 IXFAGQIRANWVAS-OAQYLSRUSA-N 426.542 2.235 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539358729 NIDMJVIZJFKAEY-MJGOQNOKSA-N 428.562 2.004 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1539366541 YPPOLXJVNLQHOH-GBESFXJTSA-N 447.580 2.392 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1539432050 XKASJMBUNPWBPL-MJGOQNOKSA-N 426.540 2.030 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[S@](=O)CC)CC1 1539434557 MZSVQRXZJMSNEN-SSEXGKCCSA-N 437.516 2.070 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCC2)CC1 1539488609 MTBNUWYFSBPUAE-UHFFFAOYSA-N 435.572 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1539541861 NPUZYQJZZYIOHO-DHIUTWEWSA-N 429.565 2.371 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1540127742 UNTJTTAGHIPNDJ-IBGZPJMESA-N 445.589 2.434 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1540859685 AOAQOLUKFSSDRJ-UHFFFAOYSA-N 425.924 2.438 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540919387 PJZJOKSCRYQNOQ-KRWDZBQOSA-N 427.534 2.452 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2nnc3n2CCCCC3)CCOC1 1541715871 UBJQBPRJSMZFPB-VGOFRKELSA-N 442.568 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 1556453666 GQNFCMFYTUXNHR-KRWDZBQOSA-N 434.924 2.031 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN([C@H](C#N)c4ccccc4)CC3)OC2=O)C1 1559613645 CJOGLGIKOHRYIZ-VQTJNVASSA-N 440.544 2.421 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c(F)c1 1584348557 YQHZAEBVHLBHOH-QUCCMNQESA-N 437.393 2.157 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)Cn1cnc2ccc(Br)cc2c1=O 1586080326 OZRQLTLDCAYZDN-UHFFFAOYSA-N 430.262 2.492 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)C1=O 1586400621 DJERITONIXCJDD-BSEYFRJRSA-N 447.495 2.492 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1587527423 WCPUZYQYDZVART-QUCCMNQESA-N 437.393 2.157 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC[S@@](=O)C(C)(C)C 1588140652 ZNFBZSIRXMVZAK-HZAQMHFWSA-N 426.542 2.411 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2CC2CCN(C(C)=O)CC2)n1 1588724413 ZBZJIROWBQCHRC-UHFFFAOYSA-N 441.580 2.143 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(=C)Br)CC1 1588955231 SCLNYOZLAZRGMI-UHFFFAOYSA-N 443.349 2.138 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CC=CCO2)CC1 1588961791 MHUAPPIZMQMCGZ-JOCHJYFZSA-N 449.555 2.476 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1589664244 WGCNVQGVNVEEQD-QGZVFWFLSA-N 426.583 2.168 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1589688015 XNADRMITEGWGGO-UHFFFAOYSA-N 438.532 2.413 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1593690018 HGWZNHPGJWAAPV-BDTNDASRSA-N 441.576 2.434 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1594626753 OJXOLJNXUHYEJJ-OAHLLOKOSA-N 440.595 2.060 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1595496879 JOAVXTMDDDSDLE-IYBDPMFKSA-N 441.532 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCSCC1 1595823730 SAYSZTLPZIDFRT-UHFFFAOYSA-N 426.539 2.150 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)C2=O 1596977113 DSEIQBIGSHQUSK-CLMWXKPWSA-N 438.532 2.103 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(C(=O)N(C)C)c1 1612575759 HJPBLYRWYQVCKT-UHFFFAOYSA-N 431.500 2.066 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCCOC(F)F 1612885468 SQKHPKHHZQALKO-GDBMZVCRSA-N 448.478 2.136 30 10 IEEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1617697857 USWFYWVRPHAUQT-JOCHJYFZSA-N 449.559 2.311 30 10 IEEE COc1cc(OC)c(CNC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)c(OC)c1 1620430582 ZKIZFKZMYKWACX-UHFFFAOYSA-N 439.512 2.496 30 10 IEEE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1620480983 ZSXUPKOZBHKLFL-UXHICEINSA-N 434.968 2.096 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C 1625996324 GENRLYQUJYXBQG-UHFFFAOYSA-N 428.558 2.044 30 10 IEEE N#Cc1cccc(C2(NC(=O)c3nccc4c(S(N)(=O)=O)cccc34)CCOCC2)c1 1629648032 YFDULEOWVSYLTJ-UHFFFAOYSA-N 436.493 2.190 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1634715176 NGKXQUPENWACLN-UHFFFAOYSA-N 437.493 2.420 30 10 IEEE COC(=O)C[C@@H](CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C1CC1 1636936525 RIUIUJZZOMORKD-HNNXBMFYSA-N 442.495 2.286 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)C(=O)OC 1637696850 JVTWHNPRVWOIEI-INIZCTEOSA-N 436.873 2.141 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1(S(C)(=O)=O)CC1 1640027704 DBGRCXFWZAXOFW-QGZVFWFLSA-N 433.530 2.086 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]([C@@H]3CCCO3)C3(CO)CCC3)CC2=O)cc1Cl 1640107778 FAGQLOHZUZNUMQ-MOXGXCLJSA-N 431.920 2.391 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccnc2N2CCCCC2)s1 1640296086 IMTVATTTZQADNQ-UHFFFAOYSA-N 434.587 2.457 30 10 IEEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)c1cccc(OCc3ccccc3C#N)c1)C2 1640374565 JPPXTXINEAJHSD-NRFANRHFSA-N 444.495 2.150 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 1644597366 YCRPGHSBJDXHSZ-UHFFFAOYSA-N 434.436 2.494 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2ncccn2)C1 1646563226 WKEIEFMCZRVGLZ-INIZCTEOSA-N 427.530 2.092 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@@H](O)CNC2(c3ccc(C#N)cc3)CCOCC2)CC1 1648003708 AQAQXKGJDHQHET-YUVVGHDESA-N 430.545 2.389 30 10 IEEE Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1S(=O)(=O)NCC#N 1649190439 MLTXUKPFWIVWGC-UHFFFAOYSA-N 442.497 2.406 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(O)CCC(C)CC3)nnc12 1654750842 SJPODJBMLMPULY-UHFFFAOYSA-N 441.557 2.380 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(OCCOC)c(Br)c2)CC1 1665103176 LAADYUBVASCQKF-UHFFFAOYSA-N 438.322 2.468 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc21 1665657513 CBKFZNOBFRVPLM-SFHVURJKSA-N 425.514 2.127 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1666284497 UTZWIGBCMYIBJG-SFHVURJKSA-N 425.514 2.134 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 1667322055 MBUYZUCZQSFZIR-KRWDZBQOSA-N 447.517 2.359 30 10 IEEE C#CCCCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1689941628 SIXJKJOYWABXOH-MBSDFSHPSA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689988330 MXWHXPMRBABTSH-NQIIRXRSSA-N 448.976 2.343 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(OC)C1CC1 1690018194 XJUOCLFIMMKNRA-DEOSSOPVSA-N 433.560 2.340 30 10 IEEE C=C(Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1690325613 CIMLBYKGRGBJAZ-FDDCHVKYSA-N 425.533 2.311 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)CC1 1690397284 ZULUBZQXTSCQRX-INIZCTEOSA-N 445.589 2.468 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690533767 VLCMTAMKTHYVBQ-QFIPXVFZSA-N 448.589 2.326 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1693217819 CPYSRKPNVOLGCX-UTKZUKDTSA-N 447.536 2.432 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1705524411 LMCJVEFWENQODR-HEHGZKQESA-N 434.393 2.322 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705528738 QFHPNOIDSJPWOV-UHFFFAOYSA-N 440.511 2.051 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705565118 SNYIBZZNWYFYRP-INIZCTEOSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCn1cc([C@@H]2CCOC2)cn1 1705576749 OZLBOZRTPMNKIO-GOSISDBHSA-N 435.919 2.467 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCCS1(=O)=O 1705586146 WFYKOYZHVDEIRC-HXUWFJFHSA-N 426.542 2.206 30 10 IEEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCS1(=O)=O 1705630249 LUHGLELELOPFRC-FQEVSTJZSA-N 430.574 2.117 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCSC2)CC1 1705649933 JAUIIYOQWWTUEV-GOSISDBHSA-N 438.601 2.373 30 10 IEEE C=CCn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893455 IWNYIIXFIOTPOA-OAGGEKHMSA-N 441.598 2.494 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOCC2(CC2)C1 1705895250 ZIWOWPITEKFKHT-UHFFFAOYSA-N 438.532 2.066 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706058971 SVQLCNUVMKNFPT-UHFFFAOYSA-N 435.463 2.145 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC(C)(C)O1 1708175387 FBRSRUIXNLQKKK-WBVHZDCISA-N 429.546 2.255 30 10 IEEE CCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1709685819 MHQFANOMEBSEPK-VZCXRCSSSA-N 438.488 2.089 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1709938324 MVCFOOOIWZQEOS-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)c1 1711913588 YJZMELJIXGRHFE-LJQANCHMSA-N 441.513 2.480 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C1CC1 1722279788 QQFGVHFCTFKENA-SZNDQCEHSA-N 430.578 2.166 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1722296712 UJVGNMXBIZCXPD-MJGOQNOKSA-N 427.574 2.091 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722338086 LSEUNICELAYVEN-UHFFFAOYSA-N 429.532 2.146 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722368302 PRCVTICZYRBGBM-KRWDZBQOSA-N 448.618 2.355 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722372301 TZCYFROUFAXUCQ-HXUWFJFHSA-N 442.585 2.499 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1 1722411286 CLTGTADGIJDZHY-UHFFFAOYSA-N 432.532 2.364 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCOc2ncccc2F)CC1 1722439135 QDVCWBDXFZEHGJ-UHFFFAOYSA-N 438.482 2.376 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1722559242 PIETWCFWRFPZGU-UHFFFAOYSA-N 443.573 2.317 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1722599109 TZFFZNNZGSNMAG-XLIONFOSSA-N 426.583 2.168 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1722629101 FKZINGFULYIBIB-LJQANCHMSA-N 430.574 2.377 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1722753622 FBNLLONZGMLBHP-IBGZPJMESA-N 432.532 2.212 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](COC)C2)CC1 1728601635 HJKYOBFNLZSUKL-PZJWPPBQSA-N 437.592 2.315 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1740590322 GRLWADFENJCOOS-NRFANRHFSA-N 441.601 2.306 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740626473 VBYNGQZYSBQICU-FQEVSTJZSA-N 439.516 2.078 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCc1ccccc1 1740659983 BSCWOHPKADMEOI-UHFFFAOYSA-N 431.500 2.091 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnc(C)s1 1740688848 VRSONEATSLXYIV-UHFFFAOYSA-N 430.559 2.169 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)CN2CCCC2)CC1 1740691499 GEKQTENKNRBOGY-GOSISDBHSA-N 427.984 2.481 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C)cc2OCCOC)CC1 1740705715 LGTFILVXDQGBSX-UHFFFAOYSA-N 439.560 2.188 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740760640 JZELMOSLSWPPKG-BDXSIMOUSA-N 426.583 2.023 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1740960713 YKPYXRKGKHJZJZ-UHFFFAOYSA-N 430.553 2.170 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740964008 DXHIQCNCTLJJLS-LPHOPBHVSA-N 429.496 2.304 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1 1740995743 WGAZYNSSTJCSDY-OAHLLOKOSA-N 434.591 2.468 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)CC1 1741037890 CUMNAJWCLIBEDL-UHFFFAOYSA-N 426.521 2.212 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1742364961 YKUYNSCFNCBKJU-IBGZPJMESA-N 426.521 2.057 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1746463741 DVZXXRGSWPFAFM-OAQYLSRUSA-N 429.613 2.330 30 10 IEEE CN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747763632 JCHIXQXJPDBOOL-HMWBCQRISA-N 428.518 2.006 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC(=O)NCCC)c1 1748697045 AUHBJIBHGYNCKQ-LJQANCHMSA-N 438.532 2.102 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1749010721 VTRJAEJEEYUZEH-DFQSSKMNSA-N 431.581 2.199 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749219843 UWRXYJHVCWWRCX-APWZRJJASA-N 441.532 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(CC)s1 1749471634 RQBRZTTYNWSUIT-UHFFFAOYSA-N 447.590 2.280 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749659193 XPLQSVHRAVQFSH-FQEVSTJZSA-N 430.516 2.465 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749660462 PTNUSGDSLBQRQH-LJQANCHMSA-N 434.548 2.372 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCC(OC)CC2)C1 1749711544 AOWBVXOJIYDCPE-QUCCMNQESA-N 433.597 2.453 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749754682 QAIOQPDZUJDHGH-PXNSSMCTSA-N 432.638 2.454 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CC[C@H]1COCCO1 1749806060 GJAADCJFVKVPOM-SFTDATJTSA-N 441.532 2.112 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1749954461 PMHRSGNYUQGJHC-IIBYNOLFSA-N 440.483 2.073 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@H]2CCCO2)CCO1 1750388852 TYSXFLSTNXZRII-IAGOWNOFSA-N 447.486 2.462 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2COCCO2)CCOC1 1751010991 ZDSISIVMNQTWAF-REWPJTCUSA-N 441.532 2.242 30 10 IEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCCN1CCC[C@@H]1CO 1751934230 NNHYZNWQXQMPIV-HSZRJFAPSA-N 437.592 2.017 30 10 IEEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1760151082 XFBCXXYGJIIEME-UHFFFAOYSA-N 431.544 2.117 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NCc1ccccc1 1760176565 AUPIWGJLRWBZOE-UHFFFAOYSA-N 427.512 2.293 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760183505 PSXZONKPDJXOQZ-MOPGFXCFSA-N 445.589 2.348 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1760187793 GTFKELOGWZQZCE-OAHLLOKOSA-N 430.559 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H](C)C1 1760201664 HJOMZVVQXPKQAP-QZTJIDSGSA-N 430.512 2.080 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1760208176 LQIDDTUPRVMJTC-ZOKDDAQRSA-N 433.578 2.192 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760246615 WFTZEXNTBIJMFY-UHFFFAOYSA-N 448.571 2.364 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C[C@H]1C 1760313100 JAHHAFHKVJMTAG-KPFFTGBYSA-N 446.596 2.235 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760322822 XYJDJDRBYFQRSO-SCTDSRPQSA-N 444.580 2.321 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760360902 NYDRKMMKHGHIMR-PKOBYXMFSA-N 438.536 2.099 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C 1760412883 UACUSXRKGMKPNO-ZACQAIPSSA-N 425.599 2.448 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1760495146 GLLLSCISCPYTBA-KRWDZBQOSA-N 429.546 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N(C)c2ccccc2)CC1 1760522900 FYPGTERMTOWBPX-UHFFFAOYSA-N 432.532 2.143 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1760525565 KBZYSXKDDBBAKM-KRWDZBQOSA-N 448.449 2.420 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)C1 1760535323 ORWWIGUWUCLFJD-DOTOQJQBSA-N 437.541 2.165 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOCC1 1760562966 BEDJKZYIOZKLMW-UHFFFAOYSA-N 445.589 2.404 30 10 IEEE Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1761826765 KKXFVUOSMMUPCS-DQRAZIAOSA-N 434.500 2.458 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1764672636 HIHAVCVDQYXTQX-UHFFFAOYSA-N 449.563 2.348 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1767675158 VIAPBKFVTINWTL-OAHLLOKOSA-N 438.463 2.472 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1771120572 KRFLRLGCJRNCEH-UHFFFAOYSA-N 433.516 2.399 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(=O)C(C)C 1771292658 ROGGVEXINUYBMK-ROUUACIJSA-N 432.569 2.294 30 10 IEEE Cn1cc2c(n1)CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772794336 HXLFUVVCXWQGKZ-MRXNPFEDSA-N 426.429 2.009 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)CC1 1849005286 ZBMGLKXHHGHEOY-HXUWFJFHSA-N 448.564 2.205 30 10 IEEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(C)C)[C@H]1CCN(C)C1=O 1849206090 XYUVDOQTZUDNFF-DLBZAZTESA-N 445.944 2.027 30 10 IEEE Cn1cnnc1S(=O)(=O)C1CN(Cc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C1 1849576369 AAIFKMNUSCAPIQ-UHFFFAOYSA-N 432.321 2.048 30 10 IEEE N#Cc1ccccc1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 1851602214 PNBVOWQDHLHKGF-UHFFFAOYSA-N 428.290 2.112 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)C3CC3)C3(CCCCC3)C2=O)cc1 1856439722 FYRKSZPCDKNGGE-UHFFFAOYSA-N 429.542 2.357 30 10 IEEE CCOC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3ccccc3C#N)c3ccccn23)CC1 1858243304 WJCZKJCTDGXHEP-UHFFFAOYSA-N 446.467 2.373 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(OC)cc(OC)c1 1861485009 LHNQWIDSQCXMTL-OAQYLSRUSA-N 426.469 2.272 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)c1 1862748902 LTXQGXGKHBGDGW-IBGZPJMESA-N 439.424 2.318 30 10 IEEE CCOCCCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933350 DPHIBFLXFZDHJN-SFHVURJKSA-N 433.505 2.018 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 1869934116 ZDWVXDTYIOSILN-IAGOWNOFSA-N 435.933 2.397 30 10 IEEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN(CCO)CCO 1870315846 WCSHYTHJBAHEGJ-UHFFFAOYSA-N 430.545 2.367 30 10 IEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccn1C 1874339424 VWLWCAUNFXAORD-UGVMZYNRSA-N 432.550 2.268 30 10 IEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(NCCCO)ncnc21 1875229162 RCEFZEYEEMTXIC-UHFFFAOYSA-N 434.544 2.370 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900474185 CGJVKMSCTMNVTL-NEPJUHHUSA-N 425.360 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141665873 QVMOVYJRTUGZGC-INIZCTEOSA-N 447.341 2.345 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2214618901 KQQMIRCQCUYRNN-QBPKDAKJSA-N 439.553 2.142 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](CS)C(=O)O 2229098739 SYKBGAOBLZZFPS-CHWSQXEVSA-N 447.351 2.384 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(C)(C)NC(=O)OC(C)(C)C 2255654214 UBEKLYDCYPNVIX-CYBMUJFWSA-N 436.362 2.141 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255815305 LZTKVLGXEWUMRJ-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255879250 MKMVGGHIHSUFQP-KRWDZBQOSA-N 431.342 2.462 30 10 IEEE Cc1nc(NC(=O)[C@H](CCF)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256624541 WWNXSXNTLZVBQA-AWEZNQCLSA-N 438.309 2.276 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256641155 SUEQRTGIDWBRBF-CQSZACIVSA-N 449.382 2.365 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)=C[C@@H]1O 2256678273 MLZIPNYFSVKCAX-IRXDYDNUSA-N 434.342 2.361 30 10 IEEE C[C@@H](Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2256893940 GOWXIPXDIDWBMO-CYBMUJFWSA-N 437.321 2.302 30 10 IEEE Cc1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267139596 IONFNXLZYIWPGC-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267140538 CXXCSLJOFXGCRE-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@H](C)CN1C(=O)OC(C)(C)C 2267186155 FYRMMSHPAJPAQN-CABCVRRESA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267197266 JYYATVYOYPNAJK-YCPHGPKFSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2267518075 CRTYIGFWIBDCOT-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267543440 GGGOPAJFRWPUFZ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267590695 ROCGSIFUFFESDZ-TZMCWYRMSA-N 441.259 2.052 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881529 ICWHEUIMEBBXEI-UHFFFAOYSA-N 446.357 2.342 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268609227 YFYMRFVGWCRWJX-WMLDXEAASA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268630677 NOZCMTIIYQBIRF-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@H]2CCO[C@@H]2C1(C)C 2268649116 ATGUKKMAQCEETE-KXNSMUHISA-N 448.369 2.446 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)O 2269076367 UFETYAKRGCUXBD-KXBFYZLASA-N 442.321 2.113 30 10 IEEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)CC(C)(C)C)NC(=O)OCc1ccccc1 2286016018 KHJCGCVXTHUPAZ-KRWDZBQOSA-N 439.534 2.046 30 10 IEEE CCOC(=O)Cc1nnc(S)n(N=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)c1=O 2321655158 IFUPGFYDRVOEPE-UHFFFAOYSA-N 426.454 2.377 30 10 IEEE CCCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329012570 IQSDYPRILYOLOX-INIZCTEOSA-N 444.561 2.251 30 10 IEEE COc1nc(N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339785590 YPOZLIYTSXKEDF-OLZOCXBDSA-N 443.275 2.425 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N2CC[C@H]1C2 2342883038 BPDPBEDORNTBNO-IRXDYDNUSA-N 444.385 2.486 30 10 IEEE C#CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 251448218 BXOFFUWACRSFJG-FPOVZHCZSA-N 439.537 2.388 30 10 IEEE C=CCn1c(=NC(=O)c2cc(OC)cc(OC)c2)sc2cc(S(N)(=O)=O)ccc21 254868605 XDAWZNZPMOXTTI-UHFFFAOYSA-N 433.511 2.295 30 10 IEEE N#CCCn1ncc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c1-c1ccccc1 430039208 DIDUCPZUXZHLGJ-UHFFFAOYSA-N 430.468 2.163 30 10 IEEE N#CCC1(CNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)CC1 430361763 CMCLOMSTKYLMEN-UHFFFAOYSA-N 425.876 2.414 30 10 IEEE COCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1=O 461735925 XGMXSIAVESDJAH-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)nc1C 465010400 NLLSNDLMMGVSQS-CQSZACIVSA-N 428.518 2.488 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc1C 465108739 LRFRBHCAWTXBLH-ZDUSSCGKSA-N 435.527 2.292 30 10 IEEE C=CCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 505056770 CVRMPJSQXQUANM-UHFFFAOYSA-N 432.502 2.036 30 10 IEEE CCN1CCC(n2nccc2NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505419847 FWEOXDWVOBTKNJ-IBGZPJMESA-N 449.515 2.255 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](C#N)C1CC1)n2CC 505939778 YLIWQYXVOPBJCN-SFHVURJKSA-N 431.562 2.438 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)c2cccs2)CC1 508964288 UGQZESXVBRRDMY-UHFFFAOYSA-N 444.586 2.459 30 10 IEEE COc1cc2c(cc1OC)CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC2 510252153 DZZMJYUOPARAJS-UHFFFAOYSA-N 428.510 2.118 30 10 IEEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1ccccc1OC 514357621 XFDYDGKPWVZBTR-AWEZNQCLSA-N 429.546 2.357 30 10 IEEE Cc1c(F)cccc1-c1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)o1 523754960 HXQHRUUWRCPASB-UHFFFAOYSA-N 439.512 2.430 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C)c(C(=O)N4CCOCC4)c3)CC2)o1 526031436 FRQICBQNKCKDSM-UHFFFAOYSA-N 437.500 2.491 30 10 IEEE CC(C)C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 537453560 BIYADNLCJCDVGU-RTBURBONSA-N 434.562 2.168 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3OC)c2=O)c1 540695777 FGZMNMLEKZPTEJ-UHFFFAOYSA-N 449.532 2.348 30 10 IEEE CCOC(=O)c1sc2nc(CN3CCN(c4cccc(C#N)n4)CC3)nc(N)c2c1C 546917253 TXULEDVJZDCZHD-UHFFFAOYSA-N 437.529 2.348 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc([C@H]4COCCO4)n3Cc3ccccc3)CC2)n1 549161006 MOLVEDBLOYGWAZ-HXUWFJFHSA-N 431.500 2.008 30 10 IEEE N#Cc1c(F)cc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1F 568317512 YWJXVEDDVVGDNA-IBGZPJMESA-N 439.422 2.002 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(S(=O)(=O)N(C)C)c3)cc2C1=O 589565494 GWCKNNOOTHAJCH-AWEZNQCLSA-N 441.509 2.210 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 619851675 ZECUCWMCSZQLAM-NYHFZMIOSA-N 437.479 2.296 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 728192380 JYHSFBGSPVZNRY-SFHVURJKSA-N 433.461 2.366 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CCN1C1CC1 732706581 REAZPSHVZQUJOA-LJQANCHMSA-N 448.479 2.132 30 10 IEEE CCN(Cc1ccccc1)C(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733832948 RUKFHTUGBRVTQY-FQEVSTJZSA-N 448.479 2.355 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 750302090 VNEZYLKFJITCCT-NSHDSACASA-N 439.852 2.199 30 10 IEEE N#C[C@H](C(=O)CC[C@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751825768 BQVZFVBNTCRFTH-QFBILLFUSA-N 433.530 2.325 30 10 IEEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H](O)c1c(Cl)cccc1Cl 752964500 HLOULTJGXZRRQC-ATUVIUNDSA-N 427.288 2.241 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cnc1Cl 760376664 CWULQZBMHUPKTJ-MRXNPFEDSA-N 443.956 2.318 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 772451567 MNZCDXKYWHWECZ-MRXNPFEDSA-N 442.356 2.413 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccccc1)[C@H]1CCOC1 772871984 KLJNKRYRNOPAHQ-LAUBAEHRSA-N 427.526 2.399 30 10 IEEE CC(CN1CCCCCC1)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 777418010 GEUCFWPRTWYSLP-UHFFFAOYSA-N 439.538 2.280 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 780977925 LDWOGUTUKHIPIW-KRWDZBQOSA-N 440.522 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 794028272 GJMCWQNUEXEMHF-UNEBPCJRSA-N 446.548 2.399 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)c1ccc(F)cc1 812527717 ZAGSJQMWJCDOGB-LJQANCHMSA-N 425.503 2.292 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 813698798 CUJQAOBVYLVFOQ-UHFFFAOYSA-N 435.399 2.391 30 10 IEEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(=O)OCc1ccccc1 814284743 JMVDYWNURGPIBA-SJCJKPOMSA-N 442.415 2.348 30 10 IEEE C[C@H](F)CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 814708252 FCIQKIYFXQZVQS-WFASDCNBSA-N 444.492 2.284 30 10 IEEE Cc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1S(=O)(=O)NCC#N 856559796 JFPKMYLAHQVKOU-KRWDZBQOSA-N 443.529 2.353 30 10 IEEE CCS(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 857705580 GSGTXKKBXPZUFV-GFCCVEGCSA-N 439.559 2.040 30 10 IEEE COc1ccc(C=NNc2nc(S[C@H](C)C(=O)N(C)C)n[nH]2)cc1OCn1cccn1 1084134835 YFHYHVUAHSDTHS-CYBMUJFWSA-N 444.521 2.061 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 1125700405 DHSOYWWZGDUBOD-CVEARBPZSA-N 431.418 2.070 30 10 IEEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(C#N)c3Br)C2=O)c1 1139685330 YROGBHYJSANHLG-IBGZPJMESA-N 443.257 2.441 30 10 IEEE CN1CCN(c2ncccc2CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1142670425 FHRQHUBCNJRBMW-IBGZPJMESA-N 444.580 2.427 30 10 IEEE CCNC(=O)N1CCc2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc21 1147661627 OUHNYEROXUFFLI-UHFFFAOYSA-N 430.461 2.467 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)nnc1-c1ccco1 1148078347 HMQZBOGZPDYSSX-QGZVFWFLSA-N 431.562 2.264 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(c3ncc(OC)c(O)n3)CCCC2)c1 1157251926 LEEGHLSGUVVYRV-UHFFFAOYSA-N 429.498 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1160432993 FUKXCGIGRRLHFB-QFBILLFUSA-N 447.557 2.334 30 10 IEEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C[C@@H]1O 1175714710 KIOURBZAXRRMJB-FQEVSTJZSA-N 426.517 2.019 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2CC2CCOCC2)CC1 1176792712 HZXSNCFPUJPMPN-PKTZIBPZSA-N 444.551 2.052 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cncc(C#N)c3)CC2)cc1 1178373707 MTXSCABIRWLTSS-UHFFFAOYSA-N 428.514 2.069 30 10 IEEE CC[C@@H](C)c1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1 1189868899 IBDDOVLQNFTNIO-OAHLLOKOSA-N 440.500 2.376 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1194899414 RMTOTSYTOGRBDR-TVTNDZMWSA-N 447.584 2.383 30 10 IEEE CNC(=O)c1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 1209024166 AQRMGBDUUQNUGS-UHFFFAOYSA-N 440.525 2.098 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(N4CCCNC4=O)cc3)C2=O)cc1 1227630412 BDNMYIWYJGMPJZ-OAQYLSRUSA-N 446.511 2.078 30 10 IEEE C#C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)c1ccc(Br)cc1 1230499123 QZUIJLLXZSPXCL-LPHOPBHVSA-N 447.377 2.462 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286273394 DUVZYYKEPGQQPL-OPAMFIHVSA-N 428.489 2.196 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)(F)F 1286280214 VABSIQMPQXLBGN-LBPRGKRZSA-N 425.411 2.099 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1286293155 MJGYXTQVXHJTJN-JKSUJKDBSA-N 428.541 2.027 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1286297152 AOZQZFFCPZHYAJ-IEBWSBKVSA-N 438.557 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1286386498 BJNKKFHFMUXFOD-KRWDZBQOSA-N 432.546 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286425831 YWLDKPVCIJUQHC-IBGZPJMESA-N 432.503 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)c2ccco2)CC1 1286488239 XFQIRLWAWAIMSH-QHCPKHFHSA-N 437.500 2.313 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286503847 JYFJULXGWBZHGD-AZUAARDMSA-N 428.606 2.197 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286512183 JQBSBWODGLFNGY-CRAIPNDOSA-N 448.511 2.453 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286683632 WLAARHQXHXFDPD-ZBFHGGJFSA-N 437.570 2.320 30 10 IEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286704149 ZZWHNOFBVRPHBD-UHFFFAOYSA-N 435.532 2.453 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1 1288117505 UHVYSDIRWWHLEO-INIZCTEOSA-N 441.561 2.237 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1289102659 RFCYCIVSVPKOHI-UHFFFAOYSA-N 427.526 2.330 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC(=O)N1C 1291217505 CIZPJYRCRHZXKP-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccn(C)n1 1300316965 HTWSXPVEQSPZPD-OAQYLSRUSA-N 446.603 2.077 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](CC)NC(=O)OC(C)(C)C 1300456163 WHDDEPYIAUWCKC-AWEZNQCLSA-N 430.509 2.379 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1nccs1 1300520716 OEDCZXXKEZLRPR-UHFFFAOYSA-N 429.513 2.083 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)C1 1300898741 ZZCXXFUKKSSEPH-AVRDEDQJSA-N 425.533 2.425 30 10 IEEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301000222 NKBLLFSHDIOTKT-UHFFFAOYSA-N 429.521 2.075 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1301259634 OFPZSAKRNZCGFV-HSZRJFAPSA-N 443.523 2.230 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301492436 INIXDQIUKOSZCU-LJQANCHMSA-N 434.500 2.309 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1301583887 FDJOZWWDSAXUBV-JKSUJKDBSA-N 425.464 2.440 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)CCCO2 1301799244 APHNOMGSXLMYSL-UHFFFAOYSA-N 438.532 2.254 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1304467790 SBFXZJLUULXUHO-FBMGVBCBSA-N 429.431 2.020 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)[C@H]1C 1305256046 MIQAYYNBMJODMD-ZQIUZPCESA-N 439.545 2.135 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)c1C#N 1306285690 FCUBAMDLDASOBQ-QGZVFWFLSA-N 428.493 2.499 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(Br)cc2CC(=O)OC)CC1 1309871017 YJVPFKAFLWIBHQ-UHFFFAOYSA-N 432.336 2.256 30 10 IEEE CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1313688383 LLVOILZHKWIDEA-BWVDKLOVSA-N 438.488 2.163 30 10 IEEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)(F)F)CCN2C1=O 1314922284 GMOHUIVNZGYEDL-MRXNPFEDSA-N 449.437 2.299 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCC(O)CC2)C1 1316528202 UXAYCASQUCASCM-FQEVSTJZSA-N 433.919 2.282 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2nn(C)cc2I)c1OC 1358417418 RYFWTSWAQSDVSV-LLVKDONJSA-N 426.214 2.037 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1conc1COC 1359017111 ULTRIOANEGRPSF-GOSISDBHSA-N 438.463 2.191 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1cccc(Cl)c1 1359018229 INPOSWYCMXXOAH-NRFANRHFSA-N 433.940 2.063 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCCn1cc(Br)cn1 1359022665 INKKCHONMBUHNN-UHFFFAOYSA-N 432.326 2.409 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359173236 ZZMVGYJOZYBNEV-MSOLQXFVSA-N 426.521 2.379 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359293693 XHZHJOIQRPGUGE-RBUKOAKNSA-N 445.589 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1359331217 RDRRZBSGGOTIEJ-UHFFFAOYSA-N 439.545 2.397 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CSCCSC2)cc1 1464274417 VEUWPMLMROSUFS-KNTRCKAVSA-N 428.605 2.135 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1465909824 OCLKYGTYXZQAKN-HIFRSBDPSA-N 442.896 2.307 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C[C@@H]1N1CCOCC1 1499698119 YQOJOONNJJRSJN-GIVPXCGWSA-N 442.539 2.348 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1499984887 ZOWFDXUEZRNAFR-QAPCUYQASA-N 441.492 2.134 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1503839516 XLTWLELWDAUIQM-NRFANRHFSA-N 446.577 2.007 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1504804542 SSQYSAFVRYMJHX-UHFFFAOYSA-N 426.521 2.260 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCO[C@H](C)C1 1504955641 YHYCWFAVHYYWLS-MOPGFXCFSA-N 434.585 2.243 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507564940 ZOPRHPZGILBSIG-MSOLQXFVSA-N 449.621 2.115 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1507633832 JBICSDBBNBZUBF-OALUTQOASA-N 435.638 2.368 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1507747448 KBVVNENYHHERTN-UHFFFAOYSA-N 443.573 2.387 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1507800487 VXRKVUWVFOLVKV-XWSJACJDSA-N 438.594 2.167 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507845039 VUPBDXNSPVDSIV-KRWDZBQOSA-N 439.516 2.107 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1OC 1507973097 RSXJCJSKTPSSHB-UHFFFAOYSA-N 444.561 2.324 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCOC 1508071737 FFDAPAMSABNULK-UHFFFAOYSA-N 438.326 2.101 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnn(C)c1C 1508081369 XUIIDIPXDUAPMA-UHFFFAOYSA-N 445.531 2.111 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1508118114 PNGAHVBAQGACLA-IBGZPJMESA-N 449.515 2.042 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)COCCO2)C1 1508124996 GQQIBXZHRZPCOI-XXBNENTESA-N 428.533 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1Cc1ccccc1 1508132094 UUNYAHDDQRHOOG-LJQANCHMSA-N 445.589 2.229 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2ccc(Br)cc2-n2cnnn2)c1OC 1521591142 YTXVDBBVAZXBEY-CQSZACIVSA-N 443.261 2.437 30 10 IEEE C=C(CC)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1528913829 MBLXRQSFIZOXHZ-UHFFFAOYSA-N 448.589 2.482 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CCc2cccc(C#N)c2)CC1 1536020608 ZLLRDLUCHOFMLR-UHFFFAOYSA-N 430.530 2.265 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539024338 STAPEGIJMDGNSL-APWZRJJASA-N 443.621 2.034 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539139689 MHFFLGWXKYOPKQ-NRFANRHFSA-N 432.521 2.425 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1([S@](C)=O)CC1 1539392166 MTIVRJGRWDXMPZ-HKBQPEDESA-N 443.548 2.091 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1539427310 AKOTZJLPLXSYHU-JPYJTQIMSA-N 437.548 2.028 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1539490618 GTFJXAFOFGYKMN-QHCPKHFHSA-N 439.585 2.461 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1539567574 ZXRBYRFOIPSZNY-LJQANCHMSA-N 437.953 2.052 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOCC2(C)C)CC1 1539829920 KKLQMNKVHSJQCM-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)s1 1540549853 AKZZRZJMXXDJHX-LJQANCHMSA-N 444.582 2.164 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCc2ccc(Br)cc2C1 1540875622 RUPVDMDMRUVFNE-UHFFFAOYSA-N 434.338 2.442 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OCC)C[C@H]2CCCN2CC)c1 1542260253 RPLCUBHCXISOPW-HXUWFJFHSA-N 448.585 2.363 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c(=O)nc1O 1542357784 AQTHRRBMPZBJAQ-UHFFFAOYSA-N 432.415 2.456 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)Cc1ccccc1 1546490139 LLMQNLAXAMWDDZ-UHFFFAOYSA-N 431.500 2.034 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(CCOC)CC1 1548174895 JNWFDTYLEMPDDT-UHFFFAOYSA-N 425.537 2.225 30 10 IEEE COc1cc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc(OC)c1OC 1554757475 HUPANFKPOJMIOB-KRWDZBQOSA-N 436.472 2.143 30 10 IEEE O=C(CNCC(F)(F)F)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1557402305 BNDNKNBUBJOQAZ-STQMWFEESA-N 429.336 2.341 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ncccc2CNC(=O)OC(C)(C)C)cc1 1558982605 GZZQGBDIDYUUEM-UHFFFAOYSA-N 444.513 2.270 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c1 1584540867 PDGMBPPOZNHPON-UHFFFAOYSA-N 444.488 2.077 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1587765723 JEXPTIBIMRMFBT-VGSWGCGISA-N 446.548 2.221 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCN1CCN(Cc2ccccc2)CC1 1588170882 OSABVTFDDFORER-HSZRJFAPSA-N 432.572 2.020 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588891203 NDERHQKHAZEUBB-LPHOPBHVSA-N 444.580 2.198 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)nn(C)c1CC 1594913572 LHDXRPULAJDWSM-UHFFFAOYSA-N 432.536 2.450 30 10 IEEE C=CCn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1595381810 XNRNDWOWVLEERO-IAGOWNOFSA-N 442.520 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](CC#N)c2ccccc2)C1 1611545388 BEDPVROYGXFASD-QZTJIDSGSA-N 435.546 2.224 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCO[C@@H](C)C1 1616922551 DIMDSZJNZKVKDI-ROUUACIJSA-N 425.537 2.223 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1618514311 XZADMWBEULCKMB-MSOLQXFVSA-N 430.516 2.251 30 10 IEEE CO[C@@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1618941397 IJQQZNFBRYMROT-RDJZCZTQSA-N 434.541 2.361 30 10 IEEE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@H](c4ccc(C#N)cc4)C3)CC2)cc1 1620624017 MMQSMPBLTGGQMB-ZCYQVOJMSA-N 436.556 2.123 30 10 IEEE CN(CCC#N)C(=O)CCN1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1620642813 KXKZAZGHAMWUPS-HXUWFJFHSA-N 437.382 2.036 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1627125195 CLYDPSCRCKLJCY-WMLDXEAASA-N 427.482 2.316 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)Cc3cc(=O)n(CC(C)C)[nH]3)c(C#N)c2N)cc1 1629236175 LELYOUWALJEKHF-UHFFFAOYSA-N 435.532 2.072 30 10 IEEE COc1cc(CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)ccc1OCc1ccccc1 1629524692 CVYGUICIQJYGKU-UHFFFAOYSA-N 448.479 2.457 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1630721094 VKXLIJVRYKANCK-OAGGEKHMSA-N 427.542 2.332 30 10 IEEE Cc1nn(C)c(N2CCC2)c1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1634374915 IELHEOIZZDSDCA-UHFFFAOYSA-N 444.561 2.176 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)C2)nc1 1638906444 SLEQNWIQSIJWHJ-NMEJYPJZSA-N 440.525 2.325 30 10 IEEE C#CCN(CC(=O)Nc1ccc(OCCN2CCNC2=O)cc1C)C(=O)OC(C)(C)C 1639309323 VRGDPDHKYZWDPR-UHFFFAOYSA-N 430.505 2.208 30 10 IEEE N#Cc1cn(CCNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c(=O)nc1O 1641967478 AVIOXRKESQXKBS-UHFFFAOYSA-N 446.492 2.419 30 10 IEEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nn1 1658677612 GBUGRYBTTHAAMZ-UHFFFAOYSA-N 440.367 2.123 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)cc1 1669190756 PGYRJEGCURKLBP-GOSISDBHSA-N 430.530 2.384 30 10 IEEE C=CCONC(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1681162031 OJVXACKKUAGTHT-PTNGSMBKSA-N 437.474 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1686314948 BCGDXXWLILJEHT-UWVAXJGDSA-N 435.565 2.332 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)[C@H](CC)C1 1689933816 ACSBGUORMFVJDE-OAQYLSRUSA-N 435.576 2.477 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(OCCOC)CCOCC1 1689951136 MQJQXMFGOZHGGF-UHFFFAOYSA-N 429.477 2.135 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689984640 RQCFAGJTOYJCNA-GOSISDBHSA-N 444.557 2.389 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689986153 JRSJPKIAPAXPEB-MRXNPFEDSA-N 445.495 2.237 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)CN(C)C)CC1 1690117471 IWVWSACSTCBBMT-UHFFFAOYSA-N 440.592 2.305 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN(C)CCCOC)CC1 1690119903 XOJDNCVDZXUILA-UHFFFAOYSA-N 430.984 2.322 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCC)CC1 1690124483 MCQCIMRGJCHSFQ-OFNKIYASSA-N 425.533 2.097 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690183191 PFMKLHSQOYTLAG-HXUWFJFHSA-N 447.568 2.272 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1690725664 XYORRLJNYJFBNS-UHFFFAOYSA-N 444.561 2.363 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1690971281 QDJUUYDVACOSIY-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1695509161 YUNDREJBNKDSMG-APWZRJJASA-N 426.521 2.068 30 10 IEEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1697832748 PUEFUANZKRESJP-UHFFFAOYSA-N 435.488 2.205 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1705479021 IHBJKTUQHLBVQE-MBSDFSHPSA-N 425.533 2.127 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1705677961 JDWQGGZDUSISCK-VGOFRKELSA-N 444.557 2.293 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(C)=O)CC1 1705695077 VENGNXBJRLFKFS-YLJYHZDGSA-N 446.596 2.283 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1705737579 VQOPIWCXUDZQEF-XLIONFOSSA-N 426.583 2.168 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@@H]1C 1705855973 AZWMZDHMULAACY-UZUQRXQVSA-N 443.548 2.157 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705902155 HZEHRYRIXAYIJC-AWEZNQCLSA-N 432.912 2.178 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705902508 GGVDMQQKUPAVCL-FUHWJXTLSA-N 444.511 2.404 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1CCOCCS(C)(=O)=O 1707663088 OVCVZMHICOXLAM-UHFFFAOYSA-N 445.589 2.369 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)c1 1710327111 RYNUYXIXTQTDGC-UXPWSPDFSA-N 440.548 2.396 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1712453284 ICRZNRCJSFXNQM-GOSISDBHSA-N 446.577 2.044 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@]2(O)CCSC2)cc1 1712879496 CDYTVLZFXXIKPK-YJBOKZPZSA-N 439.463 2.452 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722321900 DCPXJOYRHIXULH-LEWJYISDSA-N 442.608 2.456 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722331679 OUYSVEFXNJJLNF-IBGZPJMESA-N 435.576 2.323 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722334179 CCGUFCLLJXFWTK-SFHVURJKSA-N 438.551 2.211 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1722366911 KRSWDDNEAOYYFU-RBUKOAKNSA-N 446.548 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1722403544 VWCWDZUBVDDVHH-KDURUIRLSA-N 437.548 2.294 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 1722439894 TTYJOWZKVUMTSZ-UHFFFAOYSA-N 447.587 2.268 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722589343 PQWHFUPWDHLSFE-QGZVFWFLSA-N 429.569 2.043 30 10 IEEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1722596035 BFSHOVSCKLWIEO-HXUWFJFHSA-N 438.576 2.374 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1722607224 PQDLPUUCVBQPII-UHFFFAOYSA-N 431.562 2.373 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722620511 NUFNLXOGKQLREP-HBMCJLEFSA-N 432.613 2.185 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1 1722679867 OMPJAYRNMVDYRI-UHFFFAOYSA-N 427.597 2.313 30 10 IEEE CC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722854825 AESMTKROYGKPDG-JOCHJYFZSA-N 445.527 2.240 30 10 IEEE CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1727849231 QQFYUCSCWYPUHU-ZGRWHYIRSA-N 443.577 2.053 30 10 IEEE CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1Cc1ccc(C#N)o1 1728995474 TXSPJQRVFHIKOD-KRWDZBQOSA-N 439.472 2.398 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC(F)(F)C1 1740631031 NXUZQWQGKDPFBD-JKSUJKDBSA-N 427.521 2.177 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740644862 XHKXTDYHZOVCPO-SFHVURJKSA-N 442.564 2.279 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1740690013 MJSIHBVZSPMHAS-UHFFFAOYSA-N 443.617 2.336 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1740724138 YEHBCNDCVSAAFS-IAGOWNOFSA-N 434.610 2.025 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740736588 MLOCENHCEOGXNS-CQSZACIVSA-N 426.359 2.456 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740746319 IGAUSBLDJHJHTK-JKSUJKDBSA-N 431.338 2.230 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1740885346 DSELURLKZJOLNG-YESZJQIVSA-N 448.568 2.171 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740902220 CTNTUAFGKBEVJZ-QGZVFWFLSA-N 449.481 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC)C1 1740982977 ZDJTXSBCHKWVAI-QZTJIDSGSA-N 432.546 2.018 30 10 IEEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1742181043 LZFHCTCMXWARLF-KRWDZBQOSA-N 433.472 2.343 30 10 IEEE CCC[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1745247224 LBDGLGCULFLDJV-BZROSYFNSA-N 440.552 2.291 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(C)C)cc1 1748639565 JIULIRFCOMPGGL-SJORKVTESA-N 433.578 2.429 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1748713789 FHSFOCLNYQOETB-HXUWFJFHSA-N 436.560 2.401 30 10 IEEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1748743902 PBBQXQPIHYVAKW-UHFFFAOYSA-N 445.589 2.235 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1748979563 FJBSKZLHHMNDFK-VWLOTQADSA-N 434.588 2.476 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749367412 USCUGBMTRGHGIB-SJORKVTESA-N 425.599 2.292 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1749561033 ZKEUAPOHEJJTDQ-INIZCTEOSA-N 430.534 2.071 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749633953 SNJHHSIQUQIBGW-UHFFFAOYSA-N 427.944 2.193 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC[C@H]1OC 1749830278 ILWVYESBWCDBAJ-NVXWUHKLSA-N 430.509 2.187 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1750086532 QCXSYIPAKIDWCP-DFBDCSAJSA-N 448.568 2.185 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760181138 QBKAXWJIKWVRBK-VAMGGRTRSA-N 448.564 2.431 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1760186802 GKPCFOOZUIKIBN-CVEARBPZSA-N 428.505 2.192 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760193205 WPLNRTXPOWBKGJ-AZUAARDMSA-N 444.557 2.008 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1760281172 ZJTKIEVVZPAPRR-MRXNPFEDSA-N 438.557 2.174 30 10 IEEE C=C(C)Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349412 KKSJUXCLXDHYGW-GASCZTMLSA-N 427.571 2.106 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1760358637 XVHFMQQEMMZTCG-SFHVURJKSA-N 426.583 2.026 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1760382964 CHQUMOSOWOVYRZ-NRFANRHFSA-N 438.594 2.300 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1760430008 WSKOOLKPLCIBOL-UHFFFAOYSA-N 434.548 2.350 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(C)c1C 1760503212 CNNHGQMICLSXNI-UHFFFAOYSA-N 434.504 2.323 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760514510 HVTRXJXCWZUFHX-HKUYNNGSSA-N 429.496 2.290 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCCCC1=O 1761199010 BHJYAPRCIOTCDJ-UHFFFAOYSA-N 437.548 2.327 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1764223200 KHRAUAOUXHFRQN-UHFFFAOYSA-N 442.520 2.434 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3c(C)nn(C)c3C)n2Cc2ccc(C#N)o2)CCOC1 1765820127 CVICSBLCUVXJGH-QFIPXVFZSA-N 439.520 2.430 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC[C@H]1C 1769112228 IEMAMZIJSAGBNK-DUXKGJEZSA-N 441.532 2.395 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1770340935 YMTBAHXMXKPTKO-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1770412196 FZQOIRYWRAYCJX-OALUTQOASA-N 440.548 2.039 30 10 IEEE COc1ccc(-n2nnc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)c2C)cc1 1850661789 BICRARUTNUCOTG-UHFFFAOYSA-N 436.516 2.199 30 10 IEEE Cc1ccccc1-n1cnnc1CN1CCN(C(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1852382967 CHPCJBDMXZZOCW-UHFFFAOYSA-N 444.495 2.063 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1852621045 ULHYCJYFYIGRBV-CHWSQXEVSA-N 430.383 2.462 30 10 IEEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)C2)CC1 1853846394 BYMKSJSLHYTADO-MSOLQXFVSA-N 430.574 2.170 30 10 IEEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1 1857019787 CSPJJGFTFOQMIG-QZTJIDSGSA-N 434.558 2.275 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3ccc(Cl)cc3F)C2=O)CC1 1857067816 JEVJOIXFKIVKGQ-SFHVURJKSA-N 427.867 2.309 30 10 IEEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@@H]2C)cc1 1857078154 YHQKJFUFMIAEAZ-KRWDZBQOSA-N 425.510 2.378 30 10 IEEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862605158 NHEDDYFSDWTLLW-NRFANRHFSA-N 436.464 2.481 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862676975 VSSVPCDUWMQQNA-SFHVURJKSA-N 427.388 2.448 30 10 IEEE CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccccc1C#N 1866638836 TVEFOXDPFSKNKC-KRWDZBQOSA-N 428.514 2.264 30 10 IEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488285 VBJNEZQUUCUMNY-UHFFFAOYSA-N 437.939 2.135 30 10 IEEE NC(=O)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874267456 YGXSUBWKLVOTRV-ODCIPOBUSA-N 433.877 2.381 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC(COc2cccnc2C#N)C1 1891178751 JYPQYXKQBKCTSQ-HNNXBMFYSA-N 425.514 2.208 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 2010247496 TWKCZHZZXZMKRJ-HXUWFJFHSA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2060781321 HXRGYBPKELAJHQ-NMMYMHLASA-N 440.544 2.106 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2081460005 LHNPQIQQEVAPTA-JOCHJYFZSA-N 436.358 2.430 30 10 IEEE COCCN(CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2124515356 JSMCJICJOHLUIN-UHFFFAOYSA-N 448.369 2.486 30 10 IEEE N#Cc1cc(N)ccc1S(=O)(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 2162913464 IHHCOHVQRWZNPR-UHFFFAOYSA-N 428.514 2.468 30 10 IEEE C=C[C@]1(CO)COCCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2199870189 UXTCPSNJHHZGDQ-LPHOPBHVSA-N 430.423 2.400 30 10 IEEE CCOC[C@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccccc1Br 2227477177 PZZLIZAGZLPPKA-QFBILLFUSA-N 427.339 2.420 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](CS)C(=O)O 2229101967 SYKBGAOBLZZFPS-CHWSQXEVSA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247835803 QSJNUZCBCQPEHW-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE CN1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 2255380165 WCRSUVHYFFXHGV-INIZCTEOSA-N 432.374 2.026 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2255652942 BPGGTAQBTVNVNB-UHFFFAOYSA-N 438.330 2.328 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267186394 JBJQAESMMFHLSO-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267272395 YWNONAVULBMQGT-CVEARBPZSA-N 449.332 2.458 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 2267272961 GONYMEGOBAHUAC-DLBZAZTESA-N 440.353 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267289230 MKENEFHNGGQGHY-JKSUJKDBSA-N 448.325 2.039 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267483627 WBELCKXGQZSBEC-DEOSSOPVSA-N 440.349 2.336 30 10 IEEE CCn1cc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267488587 HYQYPZOMLNWFAN-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)c(F)c2)OC1(C)C 2267506097 RZPVYYWORQZMEH-RUYXUALKSA-N 437.324 2.380 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C 2267599451 PLYDVAWRNGZMFR-FXVOITISSA-N 445.369 2.500 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)C[C@@H]21 2267812198 XDGLWTHBOBDSCR-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870781 IBMHCAPSCFFNCM-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)nc(O)c2[C@@H]1C=Cc1ccccc1 2293273379 AQWSVHHQRRDSFH-IAGOWNOFSA-N 433.468 2.414 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 2296627141 CECOLDDMQOYYJH-FQEVSTJZSA-N 442.516 2.417 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)N[C@H](CO)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 2297639232 DZPROHKVTKFBQP-XDNJVSCNSA-N 448.560 2.244 30 10 IEEE COc1nc(N(OC)C2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317502209 XRBSALFJUQWJFT-UHFFFAOYSA-N 435.330 2.377 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2319258911 QOSRUYRNQWNJTJ-OAHLLOKOSA-N 427.310 2.143 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N)c1ccccc1O 59829732 JXYMNQLGTLUOSX-FSJBWODESA-N 429.481 2.081 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3Cl)n[nH]2)cn1 59886716 LEIXGUKSOWAHSW-ODCIPOBUSA-N 448.940 2.156 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccccn1 72461207 QQDVRSDTDFERHX-RDTXWAMCSA-N 444.451 2.162 30 10 IEEE CCOC(=O)/C(C(=O)c1ccccc1)=C(N)\N=C(/N)Nc1nc(C)c2cc(OC)ccc2n1 105174131 YMYPMFGCIALMTL-ZZEZOPTASA-N 448.483 2.290 30 10 IEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 109638338 WCBKJTAHTMNAPA-LCPUNJGISA-N 442.468 2.051 30 10 IEEE C=CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccccc1C#N 248225592 IZVGDMRTFDBBKT-UGCAPWQASA-N 429.476 2.446 30 10 IEEE Cc1nnc(SCC(=O)N2CCN(c3ncccc3C#N)CC2)n1Cc1ccccc1 302923166 ZZMZCOUDGGSYNV-UHFFFAOYSA-N 433.541 2.342 30 10 IEEE Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 442465166 CLORUEZSPPSONF-UHFFFAOYSA-N 449.515 2.020 30 10 IEEE CCO[C@H](C)c1nc(CN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cs1 444250927 XIOMSADVTOYVIC-CQSZACIVSA-N 432.550 2.189 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NCCOc2ccc(C#N)cc2)ccc1OC 460261903 KWWLWVXERVPWKB-UHFFFAOYSA-N 431.514 2.406 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 460953091 SIHNIOIENBCYBA-LJQANCHMSA-N 444.605 2.444 30 10 IEEE N#Cc1ccc(C2(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)ncn4)C3)CC2)cc1 473529331 VUSHVUUDAYXBNQ-FQEVSTJZSA-N 432.528 2.002 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C)c1=O 480952120 JOHZFAZUEVHMNB-UHFFFAOYSA-N 437.546 2.059 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C 514522612 DYAZCYNLEWDTJY-UHFFFAOYSA-N 427.485 2.390 30 10 IEEE CCCCC(=O)N1CSC[C@H]1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 518299081 YPLFFNBGTLCWOB-IRXDYDNUSA-N 432.571 2.490 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cnc4c(C)cccn4c3=O)c(C#N)c2N)cc1 536909293 LDJHIUCBJFTYFC-UHFFFAOYSA-N 441.495 2.314 30 10 IEEE N#Cc1ccc(CSc2nnc(NC(=O)NC[C@@H](CO)c3cccnc3)s2)cc1 554149789 AROKBRJOFBIBET-INIZCTEOSA-N 426.527 2.995 30 10 IEEE Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 557572889 CBSZKLTWLIHZTK-UHFFFAOYSA-N 446.536 2.350 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 575956902 HPYSMGCNBMEXOC-LPHOPBHVSA-N 447.561 2.289 30 10 IEEE N#Cc1nccnc1OC1CCC(NC(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 585355327 DGDPWMBAOHKFFJ-UHFFFAOYSA-N 436.440 2.465 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC#N)Cc1ccc(C(=O)O)cc1 586153892 SVYSRMQTECRUJZ-UHFFFAOYSA-N 443.481 2.235 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)cc2)nc1 610200000 ZYAAAPMJTNOAFN-UHFFFAOYSA-N 432.440 2.053 30 10 IEEE N#C[C@@H](C(=O)c1cnn(CC(F)(F)F)c1)c1nnc(N2CCOCC2)n1-c1ccccc1 682497099 BBEKIRKSLANTTL-INIZCTEOSA-N 445.405 2.353 30 10 IEEE CS(=O)(=O)c1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc([N+](=O)[O-])c1 742194120 RCNBOLPKTZQGLW-UHFFFAOYSA-N 428.470 2.269 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2nc3cccc(C)c3[nH]2)C1=O 765545977 ZXJSVCGITSMJFC-QEQSUZCXSA-N 436.541 2.445 30 10 IEEE COc1ccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)nc1 766423927 FKJPHKGKGPAOJV-KRWDZBQOSA-N 447.586 2.351 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCC(C)(C)O)C1=O 774290903 GDJGSUNKPHOFKR-IBGZPJMESA-N 446.617 2.336 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H](C)c2ccncc2OC)C1=O 783508360 QDWNCPKNQZXBTD-TYPUECGGSA-N 427.530 2.225 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)n1 789223865 NCHDJHHMSBIECL-PKOBYXMFSA-N 433.553 2.320 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ccc(F)cc2)C1 791164848 RLKNLLOYILKJGK-GOSISDBHSA-N 445.516 2.153 30 10 IEEE CC(C)n1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)nn1 796005315 AUDBUPKIKQMUDN-OAHLLOKOSA-N 440.504 2.385 30 10 IEEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2C[C@@H]2CCCS(=O)(=O)C2)n1 804887967 QJAQSEFKPSYSSH-AWEZNQCLSA-N 428.543 2.274 30 10 IEEE C#CC[C@@]1(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 808597050 QBLHMBVDXQTDDA-QHCPKHFHSA-N 433.549 2.066 30 10 IEEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 857838211 YURJFZZOLOOJKK-SJORKVTESA-N 441.550 2.048 30 10 IEEE COc1cc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1OCC(N)=O 875041860 DECKMDFAMVOMRX-HEOKHYPTSA-N 431.489 2.035 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2cccnc2N(C)C)c1 916695300 ZRJYEPPHLRGCFM-MOHJPFBDSA-N 430.534 2.282 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1Cc1ccccc1 1116150009 DRHRJSLXXSWUIQ-UHFFFAOYSA-N 441.556 2.252 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCc2ccc(C#N)s2)C1=O 1129865512 UUYJTHRRBBTVRW-SFHVURJKSA-N 447.314 2.466 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C(=O)NC(C)(C)C3)ccc1F 1130557980 PWUVYWVCQHFOER-UHFFFAOYSA-N 438.506 2.063 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 1132853305 QCKDTXLKVAFPAI-GOSISDBHSA-N 427.526 2.495 30 10 IEEE COCCCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@H]1CCS(=O)(=O)C1 1136427197 DYAKRZMAJRXVKM-FQEVSTJZSA-N 442.541 2.231 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)s1 1137723399 TVVKOHZVIYKSKD-ZDUSSCGKSA-N 431.580 2.032 30 10 IEEE CC(C)[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1143651569 AHEIYECEHVGJHM-MRXNPFEDSA-N 437.562 2.235 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 1151586056 OKUKYVQNZNHWON-QYZOEREBSA-N 428.533 2.324 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccc(C)c(C)c2)s1 1155118658 UCLZLRKVCNUQED-IBGZPJMESA-N 436.555 2.402 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cccn3CCN3CCOCC3)CC2)c(Cl)c1 1156039274 HRWLQDOLVPQWPY-UHFFFAOYSA-N 427.936 2.308 30 10 IEEE Cc1cccnc1NC(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1161010879 DBNGJEKNSFPVSC-OAHLLOKOSA-N 425.876 2.413 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)cn1 1171897634 IPKVYIIYGPIQRW-MSOLQXFVSA-N 437.496 2.474 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1 1192080619 LRPXYFWMMRKZJX-UHFFFAOYSA-N 444.491 2.324 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1194899412 RMTOTSYTOGRBDR-NRJQMVOHSA-N 447.584 2.383 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1Cc2cccc(C#N)c2C1 1195705390 WXNJMVYNDWIEDC-AWEZNQCLSA-N 428.514 2.160 30 10 IEEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1195946998 PLEKIOIJOMTBEE-LJQANCHMSA-N 433.574 2.010 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)N1c2ccccc2C[C@H]1C 1228456156 BDMJXWVWMWXBFA-MXSMSXNCSA-N 441.532 2.411 30 10 IEEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286346819 CMAJPTOLZYIUHR-INIZCTEOSA-N 426.546 2.358 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286398819 QGJDOCVFECKNAR-MRXNPFEDSA-N 438.498 2.154 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC1CCOCC1 1286410768 WEILBPYMVVJFRV-JOCHJYFZSA-N 436.512 2.449 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1286466420 GNSZUGPIFOOLFL-UZLBHIALSA-N 438.450 2.318 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1286468674 FMGBBVNOTBZWOC-UHFFFAOYSA-N 438.576 2.377 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)cc2Cl)CC1 1286480254 TYNCCSQEMJTAKI-GOSISDBHSA-N 430.915 2.020 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CC=C)CC1 1286485706 VMNKOGGKTLTPLY-UHFFFAOYSA-N 426.565 2.082 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)c2ccccc2)CC1 1286489747 AQGKHCONBLHEKA-GHTZIAJQSA-N 448.571 2.389 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286507363 YYNQTQKZTHSEPG-IEBWSBKVSA-N 430.578 2.333 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1286781509 RYOOTXPMYYYGEW-HUUCEWRRSA-N 430.940 2.398 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1 1286799360 UKMUKGJGTVZWDI-LJQANCHMSA-N 432.546 2.368 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCCO1 1291279889 WVJHZFHAXJMFDK-QFBILLFUSA-N 438.532 2.259 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1291378538 IOGMIZLLEDHXBC-QFIPXVFZSA-N 428.537 2.241 30 10 IEEE CN(CC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F 1298241454 ZYHXIFNVGSAPOL-UHFFFAOYSA-N 435.344 2.430 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300314268 CXBXMZCAHSTGBY-SJLPKXTDSA-N 436.482 2.375 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1300511779 LFSAMIJJEBGNAP-ZWKOTPCHSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1c(CC)nn(C)c1OC 1300587981 ZKWXJFZZOIVUPQ-UHFFFAOYSA-N 437.573 2.450 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCn1cc(C)cn1 1300641711 JGRZSYXPGHZCLT-UHFFFAOYSA-N 435.507 2.498 30 10 IEEE COc1ccncc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1300694556 BVEOHSZNNRZKBC-HXUWFJFHSA-N 441.492 2.163 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1300744861 BOAJPQTVUYCOQS-UHFFFAOYSA-N 441.557 2.140 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCCC2=O)C1 1300767444 YIVGXXCWZURWHX-KRWDZBQOSA-N 430.603 2.201 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1300849327 OJKNZSQVPIGMQU-CJNGLKHVSA-N 447.424 2.422 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1300901021 VPKSNMZJZOGKDC-OAQYLSRUSA-N 433.940 2.415 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1301105666 LMQAUTVZPJYDCW-RYQLBKOJSA-N 425.599 2.352 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1301222928 JMOZMOSYOKSSLP-SJORKVTESA-N 425.599 2.450 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCOCC1 1301411165 SZXDJMZKJKHYLN-IBGZPJMESA-N 429.521 2.207 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301460420 UJHYNAXWDNJOAM-AUSIDOKSSA-N 443.548 2.377 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccco1 1303469321 DUASJQHAPDJKHF-UHFFFAOYSA-N 428.518 2.374 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CC1 1303941824 HKTGEOXCOJWJFA-ZDUSSCGKSA-N 448.453 2.411 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccs1)N(C)C 1305789195 CZZNZMUAWKWDTD-DLBZAZTESA-N 445.593 2.290 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 1309775703 IDEWYRUPVTWXDQ-JOCHJYFZSA-N 438.553 2.315 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1316239850 BULCMUCRZYGSMA-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE COCCOCCn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1316268006 JGMVMKAKLPPMPS-HDICACEKSA-N 448.568 2.452 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1358889899 IMJWVPQKNMWQKN-KVSKMBFKSA-N 433.553 2.080 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1358937275 OKDMLIBRWXMQLG-DYXWJJEUSA-N 431.581 2.105 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C2OCCO2)c1 1358968438 LUCOILZWBAWCOW-UHFFFAOYSA-N 442.479 2.092 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCN(CC)CC1 1358983039 SNSKYRPQNKXTOD-QFIPXVFZSA-N 434.588 2.264 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1358995461 RPCAHKZXEZDYJQ-UHFFFAOYSA-N 433.603 2.288 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1359010042 FCCGCFGHVBGOJC-GOSISDBHSA-N 440.573 2.388 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)C(C)C 1359016441 CENKVMLYTAAULX-IBGZPJMESA-N 440.523 2.170 30 10 IEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCS(=O)(=O)C1 1359019009 ICZPASWIDSYCOO-LJQANCHMSA-N 442.585 2.269 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ncccc1N(C)C 1359025164 FORVMRJOLSVJAA-JOCHJYFZSA-N 448.527 2.386 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(CC)C1 1359025305 JWEIXXPRONBOAE-WIYYLYMNSA-N 425.533 2.218 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@H]2CCOC2)CC1 1359036774 IOHUKWJDMUPEKD-OAQYLSRUSA-N 441.551 2.206 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359058700 MZYGGOHRMVEJKU-UHFFFAOYSA-N 433.603 2.034 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)c(F)c1 1359291043 CDDBBPHFTXOSIC-UHFFFAOYSA-N 441.442 2.142 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC1 1360470639 SINJSGXRCVTRNP-MRXNPFEDSA-N 425.493 2.456 30 10 IEEE COC(=O)CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 1439866370 CRMBQFWYEYYWCW-UHFFFAOYSA-N 447.557 2.199 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1 1441092735 VTNROLXTVURZRR-JOCHJYFZSA-N 426.538 2.287 30 10 IEEE C[C@@H]1CN(CCNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1442912864 BHOAFKHXUIZCGN-OXQOHEQNSA-N 428.533 2.229 30 10 IEEE CC(C)(CCS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1444982914 GFGOCLAYECMHMO-CHWWFWEZSA-N 427.567 2.103 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)[C@H]1c1nccn1C 1458170680 XEKPDCVVNMRTMA-ROUUACIJSA-N 436.497 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1461738947 WCEXAVSWIIVKCK-HXUWFJFHSA-N 436.534 2.008 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)CC1 1464957646 VQIFDMYPEXCTQI-UHFFFAOYSA-N 435.546 2.252 30 10 IEEE CN(CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C[C@H](O)c1cccc(C#N)c1 1473619827 OTGQTSGMEOWVPC-QFIPXVFZSA-N 426.561 2.165 30 10 IEEE CCc1nnc(N2CCC(C)=C(Br)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498911188 MVLZAAPKKKONFM-WUKNDPDISA-N 435.326 2.246 30 10 IEEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1503679118 BJDPTSFFMIJZAC-LJQANCHMSA-N 439.564 2.122 30 10 IEEE COc1ccc(COCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1504284675 JFAWMFVIZWQTAR-NRFANRHFSA-N 430.484 2.084 30 10 IEEE COC[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504702536 IGVHVWGCZAUVPQ-QBEKEKFNSA-N 428.537 2.010 30 10 IEEE COCCCN(C)CCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1504815601 CBHPNNZNSDIZQI-OAQYLSRUSA-N 438.576 2.445 30 10 IEEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(c2ccncc2)CC1 1505090717 AACUCMUSFRDPRJ-UHFFFAOYSA-N 432.532 2.422 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1507635693 UOZRODHXUGFFDM-KRWDZBQOSA-N 433.603 2.451 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCO[C@H]1C 1507714828 XTGPXTIKNOMWDH-CVDCTZTESA-N 428.533 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCSC2(C)C)CC1 1507732308 FHONQZTVPNMWKL-OTWHNJEPSA-N 433.622 2.289 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507867423 NDLSLDNWJHWNRE-JXFKEZNVSA-N 443.983 2.005 30 10 IEEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1507995042 CVZVXXDXULLKMS-FQEVSTJZSA-N 426.613 2.321 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508160524 VMEXLGPYVIDGMJ-HRAATJIYSA-N 448.593 2.253 30 10 IEEE CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1514173897 QYYAVMGNLMMZGG-XSAFGROZSA-N 446.577 2.030 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)c(OC)c1 1518165389 CUXLDBKLVXDBKB-HUUCEWRRSA-N 435.431 2.115 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCSC)CC1=O 1519207163 MHCCGEDRVNUYIU-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1539073005 ZZRHXESUHVSYCH-SFHVURJKSA-N 445.564 2.449 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539202452 IXVKAHLJKLLWDU-OAHLLOKOSA-N 441.479 2.490 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539627667 KTFMWJQZLLYPBR-YOUFYPILSA-N 443.596 2.205 30 10 IEEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1539676835 VXVVOWLBLNXAII-UHFFFAOYSA-N 432.590 2.405 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539923522 BNWYWSDBIQRLHD-UHFFFAOYSA-N 437.548 2.387 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1541999493 CDJYNIBRCJPZKA-UTKZUKDTSA-N 435.594 2.251 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(C)CC2)cs1 1542926389 YKJGXRBISTYSNS-LJQANCHMSA-N 429.594 2.485 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1)OC 1546009889 AXOLBPNLHNSUEL-VGOFRKELSA-N 426.521 2.116 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC)CC1 1548275904 MVKWOGRWBYQWPR-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccc(C#N)c(OC)c1 1556504752 KOGZULKAMMQUGX-YJBOKZPZSA-N 430.549 2.409 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1558401105 PQULJYFCSJYTRZ-KUHUBIRLSA-N 426.498 2.205 30 10 IEEE COCCN(CC#N)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1570083099 MYROWRBNMJFUDQ-CQSZACIVSA-N 426.286 2.439 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1cc(F)cc(C#N)c1 1587331144 YYAKZRBABUFUIX-IAOVAPTHSA-N 437.493 2.306 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H](COC)OC)c1 1587689150 CFBRLVXZMMJLAT-FQEVSTJZSA-N 434.500 2.058 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588059894 XECRTGMIVLRGRQ-NJYVYQBISA-N 449.665 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1588128804 SZLICYAWRMMLMN-IBGZPJMESA-N 442.523 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C(C)C)N1CCOCC1 1588205424 LAISGTQWDXZZSY-OAQYLSRUSA-N 449.555 2.494 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1594544915 OLFDZFRPHKSJJH-MOPGFXCFSA-N 438.532 2.478 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1595516812 JOINNNYIVWRZGJ-UHFFFAOYSA-N 447.543 2.368 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccccc2OC)C1 1595569598 KELZWKYNZQOYAZ-IBGZPJMESA-N 449.559 2.444 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1595639617 DYUFACLSRQTNIF-LJQANCHMSA-N 449.559 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2)CC1 1595784013 ADZCBLXWFMHVAD-UHFFFAOYSA-N 438.557 2.268 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1611780031 FLURFDUEYXTJCY-CJNGLKHVSA-N 432.887 2.381 30 10 IEEE COCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1619563124 RGABDKIRVKXQOS-AWEZNQCLSA-N 437.342 2.447 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNc2ccc(-c3ccccc3)nn2)c1 1621992441 IHBVIHOZDWRQEE-UHFFFAOYSA-N 439.472 2.422 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ccncc2)CC1 1626002531 LRYYRPQPBBIEIH-FQEVSTJZSA-N 429.565 2.017 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)n[nH]2)c1C 1633651326 VBRYRMDFJYOIIV-LJQANCHMSA-N 425.514 2.476 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1635887832 LMZPCFLBHVEXSY-UHFFFAOYSA-N 434.269 2.149 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCc1cc(F)c(C#N)c(F)c1 1639271732 XJHZGKOZXDIHCK-UKYNSIFLSA-N 441.356 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1(S(C)(=O)=O)CC1 1640027703 DBGRCXFWZAXOFW-KRWDZBQOSA-N 433.530 2.086 30 10 IEEE N#Cc1cc(C(F)(F)F)cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 1641954654 VERLCLANXFWJIL-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncccc2Br)s1 1648033951 QKEZRINOOBRMGT-UHFFFAOYSA-N 430.349 2.229 30 10 IEEE C=CCN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@@H](C)COC 1654210900 AFQIUMMWZOQHNE-SFHVURJKSA-N 435.590 2.273 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c(C#N)cn1CC 1671036338 AGUGAVZODUCBPZ-UHFFFAOYSA-N 444.580 2.438 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1689928875 YXGXLHALHYPZKT-IRXDYDNUSA-N 430.553 2.384 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1689930472 SAEMPGVZAAERDM-NRFANRHFSA-N 442.608 2.014 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1689947729 KSYDHCXJKUDGKL-HSZRJFAPSA-N 425.533 2.186 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C(C)C)N1CCOCC1 1690009929 OWWNQZGQGLGVSM-OAQYLSRUSA-N 449.555 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1690046523 CWUJEHIGEOJQLE-INIZCTEOSA-N 449.627 2.282 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1690077316 MNTMZGHTXZBHKW-HXUWFJFHSA-N 435.638 2.398 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(CO)c2)CC1 1690146593 RJPUUDHFVOOERO-OAQYLSRUSA-N 437.544 2.026 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1690172283 BFUSVAKBGBOIHS-SFHVURJKSA-N 432.594 2.270 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1690212503 NPRTYQGKYRHVLI-HSZRJFAPSA-N 430.516 2.482 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1692659947 BAIWMFIRAURWAX-SJORKVTESA-N 441.561 2.080 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC(=O)NC(C)C)o1 1693072597 LMURTUGALRVQTG-UHFFFAOYSA-N 448.531 2.355 30 10 IEEE CCOCc1nnc(N2CCc3cc(F)ccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696303233 IMBWKNAHLRQHAL-QZQOTICOSA-N 440.479 2.043 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1696585116 TXLCERKKEGVRKZ-UHFFFAOYSA-N 438.532 2.417 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1697736437 FRDHCNLFEYAXSD-GOSISDBHSA-N 437.548 2.437 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1698484651 ULXNEFNXSKINNE-OXJNMPFZSA-N 435.454 2.138 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2F)CC1 1705650064 KITSHNOHNMJNQW-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705733374 RPRXSPPIJCFOPN-UHFFFAOYSA-N 437.541 2.195 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC[C@H]2C)C1 1705919109 XMRDCXFWWMRLGE-MOPGFXCFSA-N 427.549 2.456 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[C@@H](O)C2)c1 1722309120 JLRBNABLNMNHEO-GHTZIAJQSA-N 447.543 2.286 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCN1CCC[C@H]1CO 1722341516 HWSSGDRVAADFQO-NRFANRHFSA-N 438.576 2.454 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C1CC1 1722343832 KBXUUOQWCAXYIR-HNNXBMFYSA-N 429.594 2.099 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1C 1722354274 CJQXTRBQLMJZRU-KSZLIROESA-N 433.553 2.329 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722367005 LMGDZXVFHJLMCB-ILZDJORESA-N 446.548 2.352 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCOC1 1722380077 CAHJFSXBDUBHQE-GOSISDBHSA-N 430.512 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1722399508 UNMALPYEKMKLLV-UHFFFAOYSA-N 444.539 2.062 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCOCC1 1722422299 XMOOBPHVPIRRNT-UHFFFAOYSA-N 442.520 2.050 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sccc2C)CC1 1722430310 ALPPPCJKRGMNDI-JOCHJYFZSA-N 429.590 2.492 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCNC(=O)C(C)C)CC1 1722442621 WPGJLHNHMIXLLW-UHFFFAOYSA-N 438.576 2.083 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722459089 CEUOSOZNALNFPG-SJLPKXTDSA-N 445.593 2.113 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727926539 JGVZKFKNBSNKSX-OAHLLOKOSA-N 448.531 2.361 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)(F)F 1740531207 HKTSBNRVCJGERS-CQSZACIVSA-N 436.438 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740550904 DYGAFRHTHLZJRA-APWZRJJASA-N 432.546 2.460 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1740594899 ZVBSBIIMMMOOFR-UHFFFAOYSA-N 440.523 2.288 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CCOC)CC1 1740638246 LTLMMQLXXAVJHW-UHFFFAOYSA-N 433.560 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(CC)nn(C)c1CC 1740641868 HIKJHZBVAVYDLW-UHFFFAOYSA-N 440.555 2.496 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1740644588 MPAAZNUVIKPSJG-UHFFFAOYSA-N 445.502 2.350 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(S(N)(=O)=O)cc1 1740665424 BKMZSIZCCAGTQH-UHFFFAOYSA-N 444.948 2.343 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1740670318 ONCLLHMTIMWUCV-NRFANRHFSA-N 437.592 2.239 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-n1nc(C)cc1C 1740684467 SAHLDRODRNTXGP-FQEVSTJZSA-N 447.543 2.166 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2cn[nH]c2)CC1 1740691880 PDTSVBMISMMSRV-UHFFFAOYSA-N 425.924 2.328 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1740940626 NFCDELVKKGMBFA-QAPCUYQASA-N 441.532 2.248 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740959662 CBOAICUDYZLIJM-PKOBYXMFSA-N 429.496 2.191 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@](C)(O)c2ccccc2)C1 1740979975 MFNWPNREYNPJAU-SELNLUPBSA-N 425.533 2.308 30 10 IEEE C=CCSCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1741004777 MAMVERDPLXIMFU-PGRDOPGGSA-N 449.621 2.439 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1741134459 BCLFFHVSGCBQIL-CQSZACIVSA-N 437.529 2.013 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1743995658 ZXBTYMCHNBUWLZ-ACRUOGEOSA-N 446.596 2.038 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCS1 1744989666 ORGIVVHRDZEAGT-SFHVURJKSA-N 449.602 2.210 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCCN2CCOCC2)CCOC1 1746684368 IYQDQHOAKOJEBL-QHCPKHFHSA-N 446.596 2.173 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@@H](C)C1 1748685383 YXLOCCATDSOTQH-MSOLQXFVSA-N 444.605 2.228 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748735753 IYNJYJWGBFBPLV-LZLYRXPVSA-N 430.480 2.331 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1748817977 UFVIWTYHDHHDME-LBPRGKRZSA-N 443.392 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OC)CC1 1749009181 GCLWMMIGRFEBMB-FQEVSTJZSA-N 437.544 2.195 30 10 IEEE COc1ccccc1CCN(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1749052801 IGDYBAWARZANJT-XDOYNYLZSA-N 436.516 2.369 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCCC1 1749073129 HQTAIPWCNZDPOX-OAQYLSRUSA-N 444.605 2.489 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749101669 FITBHSOHHULTBM-OWCLPIDISA-N 428.375 2.236 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC 1749107112 PVSSPHSLNXRBSR-ZDUSSCGKSA-N 425.356 2.257 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CC1 1750210631 VNHYHZHTLBCPGB-UHFFFAOYSA-N 446.920 2.193 30 10 IEEE CS[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750239763 KIQNCULDZKUYRH-GVDBMIGSSA-N 442.593 2.300 30 10 IEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1750997844 AJTWGCRQNFSAFZ-OAQYLSRUSA-N 449.559 2.156 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751084085 GGMFZSYMJVTCPJ-LFWLKJPASA-N 440.504 2.489 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760157628 WFQVQONOXPDDCY-QGZVFWFLSA-N 428.562 2.036 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(N(C)C)Cc2ccccc2C1 1760250569 ILYMKZTUJFEGHC-UHFFFAOYSA-N 444.583 2.449 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](OC)C(C)C)CC1 1760264391 LTKRQWKPTUROHI-OAQYLSRUSA-N 427.549 2.292 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2=CCCOC2)CC1 1760271419 XIZSCQCRLAKVQP-UHFFFAOYSA-N 433.556 2.376 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760296043 YEZOZKBLRMQJIR-IUKKYPGJSA-N 425.508 2.257 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1760441178 ZTXWYUCYMJRJRU-LJQANCHMSA-N 427.505 2.052 30 10 IEEE CCCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766258624 FNQQKWYQPUKIBH-NRFANRHFSA-N 445.527 2.240 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)cc1OC 1768477895 QWOGYJXBXFPQSE-UHFFFAOYSA-N 428.537 2.280 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1769844880 FBUZAWWAKUUXGB-UYAOXDASSA-N 442.568 2.289 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1772842441 GQGAIPQYHVUHRL-XJKSGUPXSA-N 434.504 2.104 30 10 IEEE CN(C)C=NC(=S)N(C(=O)C1CN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 1852558594 JAXNUJWHULLBCB-UHFFFAOYSA-N 437.374 2.093 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 1852606055 BCYBLCZAOAYQTM-AWEZNQCLSA-N 447.948 2.169 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCC(=O)c2ccc3c(c2)OCCO3)cc1 1852884437 IZVAJPHNRKJAAD-OAQYLSRUSA-N 438.480 2.309 30 10 IEEE N#CCC(=O)N(CCS(=O)(=O)N1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 1853457664 HJKPJDVWZWCILF-OAQYLSRUSA-N 432.590 2.209 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCC[C@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)cc1 1854264342 ARNLTMZRWZTUIC-FQEVSTJZSA-N 425.920 2.490 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(O)c1 1862735610 OQRQRNYDCPDWEF-GOSISDBHSA-N 425.397 2.015 30 10 IEEE COc1cccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 1870105337 NJKVPVATGBXLBS-UHFFFAOYSA-N 436.384 2.234 30 10 IEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1870112254 VYNNKDZPYABXLZ-UHFFFAOYSA-N 438.400 2.384 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 1872912346 UHMYHVRPFXRGBZ-HNNXBMFYSA-N 434.334 2.343 30 10 IEEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873561726 WPXBGSDPEIDBDU-UHFFFAOYSA-N 434.544 2.398 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873644671 BYQQFIVETYRBBA-UHFFFAOYSA-N 448.483 2.267 30 10 IEEE CCSc1nnc(CNC(C)=O)n1/N=C/c1cc(Br)cc(OC)c1O 1874433496 NTRMXVICBFIKFY-CNHKJKLMSA-N 428.312 2.385 30 10 IEEE C=CCC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1908626492 LJKHMHPRLAUJFD-HZPDHXFCSA-N 439.553 2.286 30 10 IEEE COc1c(Br)cc(Br)cc1[C@H](O)C1(C#N)CS(=O)(=O)C1 1921045515 NBEGEYZMHQWJCB-NSHDSACASA-N 425.098 2.192 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CCN(c1ccc(C#N)cn1)C2 2059818130 CFHVBRWYDFUHAM-LJQANCHMSA-N 443.511 2.314 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754356 MEMLYBLTUOWVAY-OYHNWAKOSA-N 435.374 2.280 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2c(N)cccc2Br)CCN1Cc1ccccc1 2101816277 BCYLTJXSZNVZIZ-OAHLLOKOSA-N 435.347 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2124539048 PTOHBUSHEYHRRR-BZUAXINKSA-N 444.341 2.360 30 10 IEEE CC(C)(C)OC(=O)NC1C[C@H]2C(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2124542359 DAAAMWHWWAKFFH-LVDPKSTMSA-N 444.341 2.264 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(c1cc(Br)cnc1C#N)C2 2203321857 DWHSMZCLNAMAPO-UHFFFAOYSA-N 434.298 2.352 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 2229101672 GFFUTOVNKXTSDU-CQSZACIVSA-N 425.279 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2247920634 AQYVWBQMCYDMBX-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE CC[C@H](CCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402107 SDYIWKWRQWZRMH-GFCCVEGCSA-N 440.375 2.139 30 10 IEEE CC(C)(C)OC(=O)NCc1csc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)n1 2255598138 VBEAKQHMQJSJDY-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255601261 FRFAJIPNDSVQNV-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](COCc2ccccc2)C1 2255654366 WDAIOUOYQMFRGW-GOSISDBHSA-N 425.338 2.398 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN1C(=O)OC(C)(C)C 2255695541 GSDPSZJVWNVHFU-GOEBONIOSA-N 433.358 2.452 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255701437 RCNRRTQUXSQZSS-QGZVFWFLSA-N 431.342 2.414 30 10 IEEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2255806907 LTWKNQSRBVXDOS-QGZVFWFLSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255870309 KEFONRYEFSNXRU-HOTGVXAUSA-N 429.326 2.215 30 10 IEEE Cc1ccnc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267155979 BTNFYTNTZZSBEC-UHFFFAOYSA-N 449.332 2.378 30 10 IEEE CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267183771 PYSJJIIFVOMLOC-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267197407 YFORCNKGUIEQEC-ZFWWWQNUSA-N 448.373 2.378 30 10 IEEE CC[C@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)Cc1ccccc1 2267265636 INTFJUFWSLEJQM-HSZRJFAPSA-N 441.385 2.145 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267499045 YTRITLGMLQXKAE-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@H]21 2267832492 HHVKLPYTTHMQRC-RBUKOAKNSA-N 445.369 2.393 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270589803 CCZVZSXNUMTUGI-CYBMUJFWSA-N 441.259 2.054 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2272649773 FFVBUIXAOBNQAQ-CMJOXMDJSA-N 443.353 2.368 30 10 IEEE Cc1ccc(CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701447 UYIRBUCYZZXMGU-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2278793502 LYWNBFFEWNKPSH-JTDSTZFVSA-N 425.323 2.043 30 10 IEEE C=CCn1ncc(N[C@@]23CO[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c(Br)c1=O 2281272239 IWOSGXHHUWJVOW-SUFBMKPHSA-N 441.326 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2301392012 VBEPGWCQZAXOEC-CYBMUJFWSA-N 442.705 2.391 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1C 2337190601 PRJFKUJBEBNFBO-CABCVRRESA-N 448.373 2.061 30 10 IEEE C=CCN1C(=O)[C@H](C)Oc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc21 12232278 TWFAIESTZDGDEH-AWEZNQCLSA-N 429.498 2.489 30 10 IEEE O=C(O)CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F 16741179 WSTCUESNIBAYAD-FMUFKYDXSA-N 436.433 2.172 30 10 IEEE O=C(O)COc1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 33960883 DZTLJUBKGBMUGQ-OEAKJJBVSA-N 449.471 2.361 30 10 IEEE COc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 62930163 CEROKZRGPNOHMS-UHFFFAOYSA-N 435.889 2.493 30 10 IEEE N#CC1CCC(CNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 440985079 LOQFBFYDIUDZQU-AFMYVXGZSA-N 430.524 2.472 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 443320985 PKLOSZJNPCQPKF-UHFFFAOYSA-N 432.546 2.246 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nc1C 472048399 QBEDOQASYTZTOR-AWEZNQCLSA-N 445.549 2.135 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCCN3CCc4c(Cl)cccc4C3)CC2)c1C#N 472053018 GZHXRLQLPDHYLZ-UHFFFAOYSA-N 441.967 2.144 30 10 IEEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481979713 IQRGEHPFYKNANZ-QGZVFWFLSA-N 447.541 2.408 30 10 IEEE Cc1cncn1C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 505656897 HHCPGLKGNXFVSJ-UHFFFAOYSA-N 441.557 2.328 30 10 IEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(S(=O)(=O)CC)CC1 508745149 FJTLNYGAZBQSFA-UHFFFAOYSA-N 440.367 2.365 30 10 IEEE C=CCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508912314 LPTVCHGZFFGFIL-UHFFFAOYSA-N 434.522 2.082 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508929601 AZVVVYDESQGLNJ-UHFFFAOYSA-N 428.562 2.435 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)c1 513785046 DZWNCPCEGMBXMR-SFHVURJKSA-N 437.399 2.342 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H]1c1ccc(Cl)cc1 544854048 JSZZHTWGWFVXRT-WIYYLYMNSA-N 438.919 2.410 30 10 IEEE CCOC(=O)c1c(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)noc1C 571962821 BXDPHYLYVVBWSH-MRXNPFEDSA-N 433.486 2.401 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 614902891 JREUVEATNFRZCN-INIZCTEOSA-N 437.546 2.240 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)N1c2ccccc2CC[C@H]1C 729905227 BKOJIMMXBZLXDY-CYBMUJFWSA-N 428.514 2.411 30 10 IEEE Cn1c([C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc2)nc2ccccc21 732457441 HEKPFIFSDIDCQO-SSRRSSPNSA-N 444.495 2.488 30 10 IEEE CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)[C@H](C)C1 760756974 OVZQQPDCXQDCRV-MLVIZHJXSA-N 449.577 2.364 30 10 IEEE O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1=CN2CCS(=O)(=O)N=C2C=C1 764749587 ITVHJVYMZFZWQO-UHFFFAOYSA-N 442.284 2.198 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767871635 GCZFWDZIRUNBOY-CYBMUJFWSA-N 443.575 2.301 30 10 IEEE CS(=O)(=O)c1cccc([C@H](NCCN/C(O)=C2\N=CC=CC2=O)c2ccc(F)cc2)c1 779103140 FRAGYSILNCDXGB-SQYHMDOVSA-N 443.500 2.435 30 10 IEEE C=CC[C@@]1(C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)CCCN1C(=O)OC(C)(C)C 791716847 OBEVWHBEAIGOGT-JTSKRJEESA-N 437.537 2.003 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 792750031 WSTXVIMLNJQUAJ-DNVCBOLYSA-N 446.573 2.115 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 800772516 FYUQTLBODNLTHR-HXUWFJFHSA-N 440.548 2.049 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)OCCO4)n2C[C@H]2CCOC2)cc1 812402839 XNCIGBIMQOILNS-GOSISDBHSA-N 425.489 2.109 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)C2)nc1 813730308 NJCYVDUOGDYYTA-AWEZNQCLSA-N 440.403 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)CCO2 817510978 BTYBRTDLOJZWIK-UHFFFAOYSA-N 426.395 2.434 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(F)cc2)c1=O 838169025 QISKRGHGGZRQMC-UHFFFAOYSA-N 438.480 2.090 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1135983061 PZVPZFPSNOVKQZ-FQEVSTJZSA-N 431.456 2.257 30 10 IEEE C=C(C)CN1CCC(NC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1136669562 HSHNFPIJYFGZBI-GDLZYMKVSA-N 427.611 2.291 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)CC1 1138971774 ANFFGBYBJFQCTA-IBGZPJMESA-N 427.501 2.046 30 10 IEEE C#CC[C@@]1(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CCCN1C(=O)OC(C)(C)C 1157375637 UEYGZFQEGCHRCZ-QHCPKHFHSA-N 440.548 2.438 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C)c1cc[nH]n1 1164479979 NJTPIPKDYWAODC-KSZLIROESA-N 441.532 2.203 30 10 IEEE C[C@H]1CC(=O)N(C)c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc21 1169779232 ZJBRUUYSEANLDR-ZDUSSCGKSA-N 426.498 2.224 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 1171955145 ZESLCIMUDRAAOO-FQEVSTJZSA-N 440.525 2.222 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2SCCCC)CC1 1175515014 NSFJJEUQENKPJQ-UHFFFAOYSA-N 429.995 2.458 30 10 IEEE C#C[C@@H](NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C1CCOCC1 1221901752 WAKSTIQNEQWWSU-LJQANCHMSA-N 429.517 2.036 30 10 IEEE CC(C)O[C@]1(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCOC1 1255701296 CRXNWLNSMYFDAX-QFIPXVFZSA-N 426.521 2.142 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)c1cn(C)nc1I 1268999707 BFROXUIKAPHUBW-UHFFFAOYSA-N 426.214 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1286268739 BGMLTDGLDDSTGR-NRFANRHFSA-N 449.603 2.184 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1c(OC)cc(OC)cc1OC 1286270510 KXEWRCRKDRRVCU-MRXNPFEDSA-N 441.532 2.241 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)c1 1286311542 NMUVVCJCSMEFGY-MZNJEOGPSA-N 439.560 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286386618 DVZQGRTZGBYPBQ-ROUUACIJSA-N 445.564 2.053 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1286395998 UWAHSGJTOZXXEJ-RXVVDRJESA-N 445.614 2.176 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1286429724 JDBQJKNGEMZIIS-FQEVSTJZSA-N 427.512 2.141 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1286627210 ATDPIKRCOXYXMY-RDJZCZTQSA-N 428.924 2.471 30 10 IEEE CC(C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1287517399 QBBXLCYRGSJKES-BSBNDGSWSA-N 438.536 2.077 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)C1 1288975868 RYOMYRAUFNQUGR-HXUWFJFHSA-N 441.927 2.298 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1291170512 SSIALVATQLHFCV-SSMANRBRSA-N 435.532 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300319765 DWCHUDXLJWMSMJ-OALUTQOASA-N 445.589 2.213 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)N1CCOCC1 1300324143 AHVVSFSMMPKILH-SFHVURJKSA-N 427.549 2.434 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1ccnn1 1300458313 GZUWGNKJBMRBEM-UHFFFAOYSA-N 428.541 2.144 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1CC1(N2CCOCC2)CC(OCC)C1 1300470412 OGFXLWYVTDJFMA-UHFFFAOYSA-N 437.588 2.403 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(-n2cncn2)c1 1300553284 BLWPBPNJHXZJON-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1300696008 QZPDTKUUCHAQLT-SFTDATJTSA-N 436.608 2.248 30 10 IEEE N#Cc1cccc(C2(NC(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)CCOCC2)c1 1300993047 RVHQYHVEKVEUPE-UHFFFAOYSA-N 425.510 2.130 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301252867 SDTRGJFZHLJGNE-IBGZPJMESA-N 444.580 2.051 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1(=O)=O 1302068069 HUYWNWNQFREFTL-INIZCTEOSA-N 444.561 2.078 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC4(CCOCC4)C3)n2CCOCCCO)cc1 1302994204 JXFCTDOGUCCXIP-UHFFFAOYSA-N 441.532 2.135 30 10 IEEE Cc1cccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1304205480 POKAYOPBSSTZSW-XDOYNYLZSA-N 446.515 2.150 30 10 IEEE CCc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1305919153 UUMCSHCDZFAGLV-ZBKJMMEJSA-N 436.516 2.259 30 10 IEEE N#Cc1ccc(CC(=O)CN2C(=O)Cc3cc(Br)ccc3S2(=O)=O)cc1 1307353328 QQXUHALFGPMFOY-UHFFFAOYSA-N 433.283 2.206 30 10 IEEE C#C[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OCC)c1ccc(Br)cc1 1309531882 RPWLIHCOQNNWCD-ZDUSSCGKSA-N 426.292 2.310 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1315666599 TWLFXERTAMAPCX-DLBZAZTESA-N 445.545 2.113 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCCCO)C[C@H]1c1ccccc1 1316539000 UCIVKIFCRJYSLA-QYZOEREBSA-N 440.573 2.088 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358899466 NULKTPKARGEORL-KRWDZBQOSA-N 448.614 2.276 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1358934624 HSHNOSLJVAFBKV-HXUWFJFHSA-N 441.507 2.237 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358959447 JCGYOWZCSDQBMP-SFHVURJKSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358960516 GMGTZFYBKDVCJV-GOSISDBHSA-N 432.594 2.019 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1ccc(F)cc1 1358992623 QVFIHMNFFWBILP-UHFFFAOYSA-N 448.458 2.247 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359055578 JCQBEYBXKYPMPC-SFHVURJKSA-N 444.649 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359099539 PSCPIDRXDTUPNG-XWSJACJDSA-N 438.594 2.167 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359132280 SCHRVWWTKQNYBQ-RTWAWAEBSA-N 432.613 2.329 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1359203660 STIXIZRVUKPXTE-QGZVFWFLSA-N 437.610 2.422 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1359240807 XSFASHHAUMLLKD-MRXNPFEDSA-N 441.598 2.450 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359289926 VIQPOAAHNXPNMC-UHFFFAOYSA-N 429.496 2.257 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC)C1 1359309943 HYDYZERJUKVTLZ-RBUKOAKNSA-N 425.533 2.358 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1436893302 ASUVDDIRFFJFCR-MCMMXHMISA-N 425.489 2.101 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)c1 1441628514 CYJSMDIYUGIMLG-ULJHMMPZSA-N 441.469 2.095 30 10 IEEE Cc1cccc(CN2CCO[C@@H](CNC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)c1 1462238916 UXQBUCLITGFVEC-QFIPXVFZSA-N 446.555 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)NCCNc3ncccc3C#N)CCC2)C1 1464504464 FOOZKUQTVMBFNR-QHCPKHFHSA-N 443.548 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](N4CCOCC4)C3)C2)C1 1468182636 VHWKCSYZWSYPRM-ZVLZEYJHSA-N 432.565 2.096 30 10 IEEE CCOC(=O)COCCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470208765 GNSZERPWUJSJBW-IUCAKERBSA-N 442.303 2.379 30 10 IEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1471083840 RCRKYNLDUTWQEZ-QFIPXVFZSA-N 426.542 2.114 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1ccccc1F 1471896613 DVMVEASPFZVFJR-LPHOPBHVSA-N 447.532 2.143 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc1 1475973159 FIIOWIAQVHFBNP-GFCCVEGCSA-N 431.383 2.173 30 10 IEEE COCCN(Cc1ccco1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1504878616 LZZGHLTWWKDRQS-HNENSFHCSA-N 442.520 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1NC(=O)CC1(C)C 1507643107 HIPLGEXTMKFTLG-OAHLLOKOSA-N 429.322 2.023 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507708989 QPTKTIVIGKNJCU-KRWDZBQOSA-N 440.470 2.012 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC(N)=O 1507808640 YVJSGOKSPZXJCL-JKSBSHDWSA-N 437.548 2.198 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1C 1508094442 XZDLRHXQOYMWIS-BBWFWOEESA-N 448.568 2.123 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1508096682 IUNJXSAMFJCIME-INIZCTEOSA-N 444.561 2.241 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCOCC2(CC2)C1 1508144986 ZLVWJTKNISQMLQ-UHFFFAOYSA-N 446.573 2.117 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1508146832 CCSXXKPHPZRLLF-SFHVURJKSA-N 446.621 2.176 30 10 IEEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CCCO1 1512515389 IDGRIIRAZAOHPO-PGRDOPGGSA-N 426.569 2.310 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1512539394 JZXOGPFRSODAKN-NXHAUGRDSA-N 442.907 2.350 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CC=CCC1 1513026373 KNRLCSVUXDWGDY-RBUKOAKNSA-N 435.580 2.430 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1516004944 BYKMUKBRPBDSMX-HXOBKFHXSA-N 437.548 2.219 30 10 IEEE CSCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1520426077 HCSVHOZCOZOCDC-IAGOWNOFSA-N 442.593 2.302 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc(OC)c1OC 1536334861 BWIYRHDTKZZJMW-QRQCRPRQSA-N 449.504 2.419 30 10 IEEE N#C[C@@]12CN(C(=O)[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)C[C@H]1CS(=O)(=O)C2 1538308900 ZHAMYLMQENKGNU-WDSOQIARSA-N 442.459 2.051 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1539051796 HRYHWOQXKYUZCB-SFHVURJKSA-N 431.562 2.224 30 10 IEEE CCOc1ccc(NC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 1539394011 HDVDKZYLPYTSHE-QYWGDWMGSA-N 433.530 2.375 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2CCN(C(C)=O)CC2)CC1 1539480699 DLYYZPBZPOGYKE-UHFFFAOYSA-N 440.592 2.160 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1539491705 SKLHZSDFEWEVHU-MRXNPFEDSA-N 439.593 2.161 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1539641132 LDUCBPMIAKNZGS-ICSRJNTNSA-N 432.613 2.203 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1540047516 JLGFMAAAZQYFNQ-ACJLOTCBSA-N 427.958 2.072 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(Cn2cccn2)CC1 1540872801 AUNATIGABMLPAU-UHFFFAOYSA-N 425.562 2.346 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1540889168 GKIYWPFZUCQBFN-DOTOQJQBSA-N 440.470 2.318 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cc(C)ccc2C)CC1 1540908526 ISPOGMHTDDOWPA-UHFFFAOYSA-N 447.605 2.359 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNS(C)(=O)=O 1541106710 AWUZIJSMVNJQHA-KGLIPLIRSA-N 436.607 2.276 30 10 IEEE CC(C)C1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541389541 KDMPCGRRBRGEPH-JLUOLNIDSA-N 428.537 2.181 30 10 IEEE Cc1cccc(CCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1542646916 FRUCCHDMODUWAK-REWPJTCUSA-N 440.548 2.384 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2COCCN2CC(F)F)nc1C 1542967781 OEFQMLVUORPDHH-JTQLQIEISA-N 430.506 2.089 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CC1 1544078753 LQQWFZWNNWIVPF-UHFFFAOYSA-N 425.554 2.255 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1552379520 HAUQARGVATUDLF-GASCZTMLSA-N 434.591 2.086 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccsc2)CC1 1555810202 AMFBAFNFJKXMPA-UHFFFAOYSA-N 428.543 2.008 30 10 IEEE N#Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)o1 1555989770 RUQUKHHENJDCEI-CYBMUJFWSA-N 426.427 2.362 30 10 IEEE COc1ccc([S@](C)(=O)=NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1558468981 HNBWNOZOXMQRIP-OIJAAMDRSA-N 435.527 2.196 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N[C@@H](C#N)C2CCCC2)c(=O)n(-c2ccccc2)n1C 1583395485 OGUWZAOMUHFOCV-SFHVURJKSA-N 441.557 2.355 30 10 IEEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CCOCC1 1586901095 SCIIBYSSQIXTFL-UHFFFAOYSA-N 427.954 2.377 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1(=O)=O 1587574901 MVOGSVFRWKPAIJ-GXTWGEPZSA-N 440.367 2.461 30 10 IEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1587831795 UYVQSHOFAXGICF-FQEVSTJZSA-N 441.532 2.106 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588025376 XVYCLGBLPLLCIC-GJZGRUSLSA-N 443.495 2.232 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCCC2=O)c1 1588170602 KFOWIFWIRSYUJR-UHFFFAOYSA-N 444.539 2.152 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1589059952 LJEDCVMWKYLPGX-GOSISDBHSA-N 446.621 2.265 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1589530803 YBTXUNSWDPXDFG-GGPKGHCWSA-N 439.564 2.457 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 1593775718 CVABSPNGBJJXMQ-FQEVSTJZSA-N 438.576 2.288 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCOC1 1595141805 LTJZAVRLRPBGDI-NRFANRHFSA-N 440.529 2.331 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C 1595260733 LXCBODNBAIHUIE-NXHRZFHOSA-N 435.550 2.020 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1595497372 ZKMDQCXOFQIGTB-MGPUTAFESA-N 441.532 2.268 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1619985014 JGCNLALISRHJET-HOTGVXAUSA-N 425.493 2.242 30 10 IEEE C#CCN(C1CC1)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1622153138 UOGVSTOKIQTOSR-UHFFFAOYSA-N 433.267 2.173 30 10 IEEE N#Cc1ccc(C2=CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1624432004 KIYWGVKXYJEBMM-UHFFFAOYSA-N 426.454 2.061 30 10 IEEE COc1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(C(=O)N(C)C)cc1OC 1629173246 TZCNUHIDIKBIAC-UHFFFAOYSA-N 449.460 2.094 30 10 IEEE CCOC(=O)[C@@]1(COC)CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1633661377 RIBSNYMCRXEFGS-KKSFZXQISA-N 425.526 2.392 30 10 IEEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1 1636069980 RMQICYRMLHRIBV-UZLBHIALSA-N 448.531 2.212 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@]1(CO)c1ccccc1 1637622619 YINJBPPOFHMIJL-QFIPXVFZSA-N 427.526 2.016 30 10 IEEE C#CC[C@H](NC(=O)c1csc(I)c1Br)C(=O)OC 1637697464 TVEAAXHJWZNTGF-ZETCQYMHSA-N 442.072 2.410 30 10 IEEE COC(=O)c1c[nH]c2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccc12 1640752367 SUTDZJDIWUKDNH-UHFFFAOYSA-N 440.481 2.412 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2ccc(I)cc2NC)c1C#N 1641124585 PQNVBSRRKYCAEZ-UHFFFAOYSA-N 438.273 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1646095950 PHVBLSXRXNNCRU-KSZLIROESA-N 429.521 2.286 30 10 IEEE CCOc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1OCc1cccnc1 1648155350 DFYXPLIPRVGOOI-PGRDOPGGSA-N 441.509 2.070 30 10 IEEE COCC1(CS(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCC1 1670211037 FGKQJBIWMBVDDZ-UHFFFAOYSA-N 429.546 2.217 30 10 IEEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1683245345 GRBFSQMUXLYXQW-DHIUTWEWSA-N 448.571 2.322 30 10 IEEE COC(=O)C[C@H](CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C1CC1 1683859078 VUURCRIGFIIRAM-LJQANCHMSA-N 436.516 2.369 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 1684037617 FMJNAGQIWOCYQF-UHFFFAOYSA-N 432.540 2.454 30 10 IEEE COC(=O)CC1CC(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1685286785 SPODHWBVGNRGNG-UHFFFAOYSA-N 428.468 2.039 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CS(C)(=O)=O)c1 1689823891 CCJLWYGYXWXUDT-INIZCTEOSA-N 445.589 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1689856432 QGCSOZZCNGFPAK-OAHLLOKOSA-N 444.586 2.070 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689980096 LOVCOQKYFKOCOK-HKUYNNGSSA-N 432.594 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690056418 RJCZGCLLPWDXNI-DHIUTWEWSA-N 433.556 2.207 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(F)(F)F)CC1 1690135358 USOLGXIFNQPODF-GASCZTMLSA-N 442.486 2.366 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690430553 NKCGVBBGRMZNRT-QGZVFWFLSA-N 442.568 2.235 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1690591436 NZQKQVFOVSIJQX-UHFFFAOYSA-N 426.546 2.450 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)COC)CC1 1690682491 PZVSSHGRJQSSAZ-UHFFFAOYSA-N 436.516 2.181 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC1(c2ccccc2)CC1 1690722633 PYLNPKOHZHJSRH-UHFFFAOYSA-N 440.573 2.447 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1690918923 XVDHMPZGAHJHFJ-WOJBJXKFSA-N 438.532 2.260 30 10 IEEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1692631863 BXWSDPQAFBHOOQ-UHFFFAOYSA-N 441.605 2.169 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC(O)CC1 1692659340 FNQQKACOOMUACY-MRXNPFEDSA-N 427.509 2.438 30 10 IEEE CCCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)o1 1695138248 BHHXXLNPNATLST-OAHLLOKOSA-N 449.581 2.316 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1696476426 GRAWYHJUVHKFMH-HNNXBMFYSA-N 443.451 2.019 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1conc1COC 1705543964 AOIYTHDAAOMOBN-UHFFFAOYSA-N 427.461 2.223 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1705556549 CRRLFQLZLCSGDN-VXPUYCOJSA-N 440.891 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCOCC1 1705594251 WOXYBQUYVBNVSX-FQEVSTJZSA-N 449.555 2.148 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1705704270 RPTOEVMMAZMLKC-RDTXWAMCSA-N 447.494 2.153 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1705717654 OWERBICZIWLBHR-IBGZPJMESA-N 445.589 2.321 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705833291 AMERIFOKMUUNBV-FQEVSTJZSA-N 447.543 2.163 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1)C1CC1 1705849863 YMCVGWBNEVJBCH-HNNXBMFYSA-N 433.578 2.319 30 10 IEEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNS(=O)(=O)c2ccccc2)n1 1707581144 CSSSKLLVNPDKBJ-INIZCTEOSA-N 439.545 2.223 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CC1 1711351933 CYTOQRFZIBCFHU-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722318716 RGGWVLOUEODYBH-UHFFFAOYSA-N 438.580 2.281 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722361228 FYZQVJFUTALFJV-HZPDHXFCSA-N 437.953 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OC1CCCC1 1722385176 CHHRAZYMSWJBNH-UHFFFAOYSA-N 432.528 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCOCC1 1722387407 LKLNVFOFSXCTGW-UHFFFAOYSA-N 438.557 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1 1722390245 PXZQNPCQTIAGDJ-UHFFFAOYSA-N 449.536 2.263 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1722434072 IQHSVIXWYMILMO-KRWDZBQOSA-N 436.482 2.486 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1722512253 CGKGSBGCDPWQIP-UHFFFAOYSA-N 435.550 2.233 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722583678 QRANYEDRNOZQGG-MWDXBVQZSA-N 425.599 2.209 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722629095 MSYJDNOELBMECR-LJQANCHMSA-N 437.548 2.214 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CC)C1 1722710599 LJQQNFSGKFEAOO-APWZRJJASA-N 433.578 2.280 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722739296 UTCLQPIUUQHTNG-GOSISDBHSA-N 425.562 2.294 30 10 IEEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1722871929 HFXZMDLBPLFZSA-CQSZACIVSA-N 447.465 2.168 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1723637719 ZHSHHCVCLPZTNR-GOSISDBHSA-N 438.532 2.321 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)CCC1 1728652919 FWAPBWFDBZLREL-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729095157 LHLCOONOERGJQW-OZNQOIHVSA-N 430.553 2.355 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(C#N)C1 1729203543 FFVNMNXNZUTBEE-FQEVSTJZSA-N 431.518 2.239 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(=O)(=O)CC 1740536919 OVNPUKKZBFSJIZ-MRXNPFEDSA-N 441.561 2.123 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1740573656 GBNCTJCJTKHDGE-RTBURBONSA-N 437.610 2.287 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1cccs1)N1CCOCC1 1740613039 RFQAGJRHCYABNC-IBGZPJMESA-N 439.589 2.344 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740623992 BSUOXRIOFASCEQ-NQIIRXRSSA-N 445.614 2.176 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1 1740660049 DFIODFWAAOGYLJ-UHFFFAOYSA-N 445.951 2.251 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1740750081 LKSNNTCLUFAHOC-IEBWSBKVSA-N 446.596 2.139 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(N)=O)CC1 1740764339 DMHFKCRNUUXRBR-ZFMNYDKASA-N 447.580 2.075 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1740794693 GMVCHOLOBWHGPB-KRWDZBQOSA-N 433.582 2.251 30 10 IEEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740865488 WJNNKPWXXKRLOZ-UHFFFAOYSA-N 431.610 2.200 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1740899995 KVNSTLWJVIVLHY-IAGOWNOFSA-N 437.541 2.014 30 10 IEEE C=CCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740950128 PRDLXYTYNIPZEH-LJQANCHMSA-N 445.486 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1740958808 VJTCSKMSOJGAOQ-QZTJIDSGSA-N 425.533 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1740991173 QAJSQPWTAOHENW-OAHLLOKOSA-N 439.582 2.107 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1741002325 HKYYBDIIECYUTC-HNNXBMFYSA-N 449.606 2.408 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1741134049 WTLCQOQATGCWPQ-HNAYVOBHSA-N 436.472 2.296 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1741135755 BPGLWCHMDNIXJX-HCROLABASA-N 445.568 2.123 30 10 IEEE CC1(C)C[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1741990252 GMRYPWGCHJFKBS-QGZVFWFLSA-N 428.562 2.381 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(Br)n1 1748874981 GWUHLPHCCYIBDT-YJBOKZPZSA-N 444.333 2.281 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1748926305 SPGKBPPSZXUXCC-UHFFFAOYSA-N 438.580 2.216 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(F)c2)CC1 1748972298 FIZBONXDGVFUNU-UHFFFAOYSA-N 433.491 2.062 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1749000102 NGMKRGPFOBDGRM-IBGZPJMESA-N 426.540 2.235 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCn2ccnc2C)CC1 1749000592 YLHCYDUASQJXNG-UHFFFAOYSA-N 433.560 2.380 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1749054332 RUCFQMSQIIXIHG-WHSLLNHNSA-N 449.552 2.487 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749137289 XJTLWFORLNHNKM-VWPQPMDRSA-N 431.581 2.333 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1749229675 NVXCRWZQMJHGLW-OAQYLSRUSA-N 441.532 2.442 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1749367112 QEUKXVLXMIJALA-DLBZAZTESA-N 426.583 2.024 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1749465348 RMRZPGBVCKZPHC-LBPRGKRZSA-N 437.957 2.099 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1750009828 YCQFJHFQHVPPHS-BRWVUGGUSA-N 433.484 2.337 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)Cc1ccccc1 1760122336 JVEYWNZNONKSFE-SFHVURJKSA-N 440.573 2.213 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1760184252 HXDUWGGOKOLWOI-OXQOHEQNSA-N 433.603 2.196 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1760277821 GHGNGUJUSLKJKH-UHFFFAOYSA-N 440.573 2.314 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cscn2)CC1 1760284204 IRAIYLQTMMLYGI-UHFFFAOYSA-N 439.614 2.409 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760322820 XYJDJDRBYFQRSO-LMMKCTJWSA-N 444.580 2.321 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760349098 ZHGPYNVMJIZIMJ-LJQANCHMSA-N 446.596 2.095 30 10 IEEE C=C(Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1)c1ccccc1 1760362178 CNVURTJAPGSUCP-FQEVSTJZSA-N 433.578 2.177 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760436876 JFTFTBNRJFHNAE-SFHVURJKSA-N 429.521 2.270 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1760565424 WZTJFOSYUCYKIA-INIZCTEOSA-N 428.566 2.019 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1761425936 DSMOVMXZNITZOL-ULQDDVLXSA-N 433.557 2.029 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1763721546 ANXUTMRGHFHXAR-AUSIDOKSSA-N 437.548 2.408 30 10 IEEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)(F)F)CCN2C1=O 1769055189 SUKGGZNQSKHHQQ-INIZCTEOSA-N 449.437 2.299 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(OC)cc1 1770044337 MBPADHLCYGGNIV-XLIONFOSSA-N 440.548 2.236 30 10 IEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccco1 1770360289 ALQNNIXWXHGFPE-KRWDZBQOSA-N 426.502 2.300 30 10 IEEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)CC1 1770744917 PFOIBEIHAROYMW-UHFFFAOYSA-N 437.454 2.429 30 10 IEEE CN(CC(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1)c1ncc2c(n1)-c1ccccc1OC2 1851393646 LCZOHSHPZKPZHK-KRWDZBQOSA-N 444.451 2.102 30 10 IEEE COc1ccccc1OCC(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851523021 PUHRUEWPRYYFNI-UHFFFAOYSA-N 436.921 2.421 30 10 IEEE CC(=O)N1[C@H](C(=O)NCc2ccc(C#N)c(F)c2)CSC12CCC1(CC2)OCCO1 1852279926 FCDRQGFXTPXUEL-SFHVURJKSA-N 433.505 2.291 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2=O)CC1 1853789455 HYOBSQBXGYNCDC-VQIMIIECSA-N 428.920 2.446 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1=O 1854219754 RBYJMWYAADMDSE-JKSUJKDBSA-N 440.327 2.218 30 10 IEEE CN([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1855573325 XLBFHXUVPQEPFZ-MAUKXSAKSA-N 437.949 2.046 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)n1cccn1 1856993847 AJWRMMRTDYFNRA-RDJZCZTQSA-N 428.514 2.289 30 10 IEEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)CC1 1857250908 WPQZQGOFWJFDFW-LJQANCHMSA-N 433.574 2.214 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC(C)C)s2)c(=O)cc1C(=O)O 1857890068 GUDJNOZVLTVGSN-UHFFFAOYSA-N 449.485 2.328 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)ccc1O 1862633727 OMIKBWFJCHHYKS-LJQANCHMSA-N 427.409 2.090 30 10 IEEE C=CCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(C[C@@H]2COc3ccccc3O2)C1=O 1863525213 AFJMSIHGSUNLDH-MRXNPFEDSA-N 436.464 2.399 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCCC5)C2)c1 1889487357 BPUGWKUXFMRQJF-HOTGVXAUSA-N 437.525 2.106 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 1918926898 JQPNYYGAQCKMDA-QHCPKHFHSA-N 432.370 2.447 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1987824990 HYJHZMPTZKXPLM-OAHLLOKOSA-N 427.542 2.192 30 10 IEEE C#CCC[C@@H](O)CNC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009820421 QWAYORMIPPAOEA-HXUWFJFHSA-N 429.561 2.436 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1 2010229571 PVSGKSLSGRSSKX-GBXCKJPGSA-N 429.561 2.436 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 2011920739 XSTZNBZWUDUZAZ-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2060636918 DOLAMPAEFFZJKC-UHFFFAOYSA-N 436.289 2.357 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2N)[C@@H](C#N)C1 2106651296 NBURZCXIYHSCQW-LBPRGKRZSA-N 445.339 2.165 30 10 IEEE C=C(Br)CS(=O)(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(F)(F)F 2118087288 LZXKSEGEDZHUQW-ZDUSSCGKSA-N 441.269 2.330 30 10 IEEE C#CCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O 2159133728 GFNFKGMPKURJCZ-SNVBAGLBSA-N 425.098 2.357 30 10 IEEE Cc1cc(CNC(=O)CONC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2243677485 WVKKTZYCPXKFQQ-UHFFFAOYSA-N 426.344 2.428 30 10 IEEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248404269 LLHPZXLCVJANSI-WCQYABFASA-N 441.359 2.309 30 10 IEEE CN(C)C[C@@H](CNC(=O)OC(C)(C)C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254760966 WYAIEPITTCYSMJ-CQSZACIVSA-N 439.337 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255696044 OKYZORKJDQFXRC-UHFFFAOYSA-N 429.326 2.216 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255828886 YLSDKKGOEMSPSV-UHFFFAOYSA-N 434.346 2.038 30 10 IEEE C[C@@H](CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2255843330 FYGMPMWGXNTJNL-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2266992818 CVUCLIUAHCIKLM-XMMPIXPASA-N 440.349 2.254 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](F)C1 2266999165 WJWXIQBAUOZDNC-CABCVRRESA-N 449.332 2.458 30 10 IEEE Cn1ncc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267003320 NDRUQRNXPBVUQQ-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267146531 NUCAWKLZELLUNS-UHFFFAOYSA-N 444.341 2.101 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267273852 RVRXSIOBZKRDTA-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267495257 ZFCGCAZLAYCXHF-HOCLYGCPSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2267592373 MBGIIJVGIBEVPJ-SFHVURJKSA-N 446.353 2.040 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2273783567 HFEXFIGFODLXJM-SFHVURJKSA-N 448.369 2.450 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@H](O)C#Cc1cccc(Br)c1 2278744664 SXOOGFBSQAJQLP-JKSUJKDBSA-N 446.363 2.490 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2296271046 CEZORBYPPLVXHL-KZNAEPCWSA-N 439.350 2.385 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@H](CO)C(C)C)C(=O)[C@@]12C 2297591733 ILOJMKHVPUDCJW-ZLOXQWCVSA-N 429.469 2.175 30 10 IEEE COC(=O)[C@@H](CC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2303167297 MWFPRMFVOBWPCH-UONOGXRCSA-N 426.319 2.138 30 10 IEEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(=O)C=Cc3ccc[nH]3)cc2)n1 2325690400 APMVAOYOZOICIK-UHFFFAOYSA-N 425.470 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2331228990 JCCFICGMJSROIM-CWRNSKLLSA-N 444.341 2.360 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337210439 ZTJKHUZDDKWYLQ-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)c1 20291957 JXMZHMSCUPQFSB-KEBDBYFISA-N 426.462 2.385 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2cccc(O)c2)n1)NCc1ccc2c(c1)OCO2 20906384 WODFZDNTRXHMNG-ZVBGSRNCSA-N 426.458 2.094 30 10 IEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1 21713010 JMCNHEVPEHKEQA-FQEVSTJZSA-N 443.525 2.403 30 10 IEEE N#CCC1(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 431169039 KQLSYSJWSRVZJT-HNNXBMFYSA-N 426.336 2.412 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc(OC)c(OC)c1OC 443337471 TWCWIUKGCINOID-UHFFFAOYSA-N 447.488 2.274 30 10 IEEE CCN1CCC(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 461215138 IJAXNGZQKDXFAW-UHFFFAOYSA-N 432.590 2.197 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C)[C@@H](OC)C3)nnc12 469884940 QPZAKMWIQUEJRH-YOEHRIQHSA-N 427.530 2.206 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)s1 477013048 RCTQNCPQVPUWGN-UHFFFAOYSA-N 443.525 2.136 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC(=O)N2C(C)(C)C)cn1 480248385 DBJKVPIVCOEBLA-AZUAARDMSA-N 446.515 2.258 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCCC[C@@H]1CC(N)=O)CCCC2 494813658 XVCCAKJLSYJMST-SJORKVTESA-N 427.549 2.086 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 498372601 HFZPTRSSTARIMZ-SVFBPWRDSA-N 429.590 2.174 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 500576041 JFRIUJQXQRZZBB-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)cc1 501895923 ZKDSJWOKIQTEON-UHFFFAOYSA-N 425.510 2.256 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 508938881 NZJUZJLKKPDKGJ-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 509003917 ZJKUTCCUSVHPTH-GJZGRUSLSA-N 431.459 2.179 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CNS(=O)(=O)c2ccccc2F)n1 516608942 XPZNBMOAHJJDRU-UHFFFAOYSA-N 433.852 2.453 30 10 IEEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCc3nnc4ccccn34)n2)c(Cl)c1 543930359 JSTJXSHGNJWGLA-UHFFFAOYSA-N 448.874 2.128 30 10 IEEE Cn1c(SCC(=O)N2CCN(c3cccc(C#N)n3)CC2)nnc1-c1cccs1 545490870 VHROQVNNNASXBS-UHFFFAOYSA-N 425.543 2.251 30 10 IEEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(OC)ncn2)CC1 549378370 VLRXQXAAJBJLRF-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE CCOCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555307514 TVAYAIZISNGXLI-UHFFFAOYSA-N 446.577 2.211 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 559027449 LFBMOOXMJSLFSY-UHFFFAOYSA-N 447.499 2.070 30 10 IEEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 570560251 VSVDOIIHNAPITN-OAQYLSRUSA-N 437.525 2.208 30 10 IEEE N#CCCCN(CCCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 586124475 UPQMPUQGVLHTIH-UHFFFAOYSA-N 430.368 2.466 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N3CCCCCC3)cc21 586314555 PUKMEPXCWPTFSA-JTBPQFFMSA-N 432.542 2.321 30 10 IEEE COc1ccccc1N1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 609413234 HJVGFPKHTVDTQE-UHFFFAOYSA-N 442.541 2.204 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 609627170 PPYCEWVKILQZLU-GOSISDBHSA-N 434.500 2.451 30 10 IEEE CC(C)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2ccccn12 726166403 OWGZUQIBPNWXFK-IBGZPJMESA-N 440.529 2.062 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCCC#N)c1 730144388 KNANPZFVERRSSA-LJQANCHMSA-N 425.558 2.361 30 10 IEEE COc1ccc(COC(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1C#N 746989857 LUAWKXFYXGFKAE-UHFFFAOYSA-N 425.260 2.334 30 10 IEEE C#CC[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 757006794 YZEKLZDPAFKCJV-SFHVURJKSA-N 433.555 2.333 30 10 IEEE CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 760405081 XACGKWGJTJQEIG-KRWDZBQOSA-N 426.583 2.374 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(CCSc3ccccc3)c2=O)c1 776752861 KRPCXVAEOLLPRI-UHFFFAOYSA-N 434.546 2.441 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CCCC#N)C[C@@H]2CCCC[C@@H]21 779255775 HMMYWIMWYBHIPK-SZMVWBNQSA-N 433.530 2.218 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 782197775 YSLXUIBAZHCZDW-CQSZACIVSA-N 427.251 2.434 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)n1 782842452 RAEAMLSCEVPVEH-KRWDZBQOSA-N 428.861 2.066 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 784805026 XOVIHPFOFRWCGB-GOSISDBHSA-N 427.407 2.179 30 10 IEEE C=CC[C@@]1(C(=O)NCCNS(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 790805395 MGKIIQPITVXGFG-IBGZPJMESA-N 443.591 2.488 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 792750030 WSTXVIMLNJQUAJ-BEFAXECRSA-N 446.573 2.115 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802581419 OPAAWJRAZIVWBC-FQEVSTJZSA-N 433.564 2.205 30 10 IEEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 811963017 FEXXKKOAVWVFAE-QGZVFWFLSA-N 436.877 2.200 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 812178407 AMDHAPHITISAMJ-QGZVFWFLSA-N 448.568 2.221 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 856433866 HELKSDLZEGYPKN-CQSZACIVSA-N 445.497 2.293 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916711485 NYBXGRAQDIVBEH-CLCOLTQESA-N 449.577 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1135836733 UWVRWZLXIZNBTJ-YKSBVNFPSA-N 442.560 2.353 30 10 IEEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)cc2)CC1 1143946258 KIAWIBSYEFQDIN-XGICHPGQSA-N 438.503 2.257 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 1152061300 XGPVXKMTIRPIED-OAHLLOKOSA-N 436.555 2.088 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)CC1 1152967987 WQFUKFNFHZGZJG-SDXDJHTJSA-N 433.530 2.040 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2ccccc2)c2cnn(C)c2)s1 1154126527 PGMCPCOJSNPCOH-FQEVSTJZSA-N 430.555 2.394 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)[C@H](O)C(C)C)nnc12 1161466993 BEVRPFLTTNXJJW-CRAIPNDOSA-N 429.546 2.234 30 10 IEEE Cc1ccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(C)c1 1167632088 YLQODMMAHSOCAV-UHFFFAOYSA-N 440.569 2.471 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)OC)c1 1213670627 FTOLRINPBWUWPQ-IBGZPJMESA-N 442.493 2.411 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2F)CC1 1264347235 KLTXZGZELNQODA-UHFFFAOYSA-N 432.433 2.061 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](OC(C)C)c1ccccc1OC 1286407341 IIHISEGGZOAJEM-CTNGQTDRSA-N 435.528 2.477 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(COC(C)(C)C)on1 1286414838 DNUZDWIVIDFJAS-UHFFFAOYSA-N 438.532 2.328 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1286694359 BYYOIRMOUQTWDZ-NRFANRHFSA-N 445.593 2.215 30 10 IEEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286754706 SPDLEIXCNHFGIX-XMMPIXPASA-N 437.544 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(CCS(C)(=O)=O)C1CC1 1286782129 LHXXKNKATCCHBC-UHFFFAOYSA-N 443.529 2.007 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)N2CCc3sccc3C2)s1 1292486753 FRWDUXQAWWPNOI-CQSZACIVSA-N 439.628 2.379 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1292777032 CNFKRQVUHIRNTC-LJQANCHMSA-N 448.531 2.090 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](C(N)=O)c3ccc(F)cc3)C2)C1 1296113969 SWCVMGKMRQPOJF-ZTHJGWAOSA-N 430.480 2.255 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C#N)o1 1299004136 XYEUSTIQVCFPPU-OAHLLOKOSA-N 438.488 2.197 30 10 IEEE COC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1299466015 HPWQYZIVNKWWDK-UHFFFAOYSA-N 425.537 2.040 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1300268526 RQOQYADHOFQKHF-IBGZPJMESA-N 442.608 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CCCO1 1300578302 AUKKGIUPDXNORV-XMMPIXPASA-N 430.512 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1300578985 LJICDHRPCHMYEP-KRWDZBQOSA-N 439.903 2.165 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1300754928 IESREOITWREKMS-QGZVFWFLSA-N 429.594 2.176 30 10 IEEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1301087858 WQGLOBZTYFCLBF-OAQYLSRUSA-N 437.592 2.363 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301236537 GUGFNWGVQBKFGF-GOSISDBHSA-N 446.596 2.238 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301237589 UAYZRKNPEIDQEJ-PMPSAXMXSA-N 445.486 2.473 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1301384210 RKGYPDNHJKNUPX-SFHVURJKSA-N 447.543 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](COC)C1 1301489850 DZTQKFNSXDOPBF-AWEZNQCLSA-N 440.331 2.406 30 10 IEEE CCCCn1c(CN2CCO[C@@](C)(C#N)C2)nc2c1c(O)nc(=O)n2Cc1ccccc1 1308115488 YXHPEDGEAITMDA-QHCPKHFHSA-N 436.516 2.261 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315823648 GSZQZRUYSULPSW-PKOBYXMFSA-N 428.512 2.327 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1316101685 MMLCMZSZBWLFTC-REWPJTCUSA-N 440.548 2.359 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1316192356 YUESUWFKXHMNHC-KNQAVFIVSA-N 448.612 2.367 30 10 IEEE N#Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)o1 1316534273 VOIAMCMCTVXOCW-LJQANCHMSA-N 425.449 2.225 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1358871917 LXVXOBJOXXTUNR-JKSUJKDBSA-N 428.562 2.460 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOCC1(C)C 1358938038 OZBMXRNKNPIDPY-UHFFFAOYSA-N 444.967 2.042 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)NCC(F)F 1358969219 JJPRTORATYLDIB-QGZVFWFLSA-N 429.471 2.489 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN(C)C(C)C)CC1 1359031932 UWRFDZDKJJOWHW-UHFFFAOYSA-N 425.537 2.339 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCOCC(F)F)CC1 1359043021 DCJMBJCDUWIXGG-UHFFFAOYSA-N 435.450 2.332 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](COC)C1 1359089691 MSFVDLWSBQRSNI-QRQLOZEOSA-N 435.569 2.029 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1359205950 PFPHMFBPQPZNMS-QGZVFWFLSA-N 430.578 2.147 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1359231901 ILPBJIZDJGODLZ-QHCPKHFHSA-N 442.564 2.221 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCCCC2)CC1 1359299967 QNWJUQKIJMDPDG-HXUWFJFHSA-N 430.597 2.177 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359329133 ZRYUDLCYYXMVMF-JXFKEZNVSA-N 441.557 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1359333068 NKGZUEPIMJXZOU-ICSRJNTNSA-N 446.573 2.431 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1438602770 PXIZTXIWGDNCRN-MRXNPFEDSA-N 447.488 2.285 30 10 IEEE C=C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 1440639747 LBNAVXOQQDBZNF-FQEVSTJZSA-N 427.526 2.481 30 10 IEEE C#C[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccccc2I)cc1 1450328846 GWOXKROCWVGDSV-AWEZNQCLSA-N 448.260 2.196 30 10 IEEE C=C(CCC(=O)OC)C(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1453516306 CFVZZODICWYJNG-QGZVFWFLSA-N 439.553 2.202 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC(C)(C)NC(=O)OCc1ccccc1 1457947487 DWQTVHCALUSQMC-KRWDZBQOSA-N 436.516 2.480 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCc3ccc(C)c(C#N)c3)CC2)cc1 1471299159 TYBWCJGEGFLROD-UHFFFAOYSA-N 442.541 2.482 30 10 IEEE CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 1471796355 BPZSNWYOVBYBOB-QFIPXVFZSA-N 443.507 2.328 30 10 IEEE CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1472371529 SQSKFLIVOSTRDB-UHFFFAOYSA-N 429.480 2.150 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 1476010853 FPRZRNFEBKLIDV-RDWWUUERSA-N 445.589 2.499 30 10 IEEE COC(=O)[C@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC12CN(C(=O)OC(C)(C)C)C2 1478823392 XCPGPZIHFOAYFT-MRXNPFEDSA-N 446.479 2.249 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1507535645 GNOYURABNSGVAS-HUUCEWRRSA-N 437.516 2.029 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1507603557 CAHCBCNHUXPZDL-DEOSSOPVSA-N 437.544 2.170 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507635294 RKWSFUMJPZDSEX-IBGZPJMESA-N 441.582 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(NC(C)=O)nc1 1507646265 SEXJOZFOZVIBCA-UHFFFAOYSA-N 444.495 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507661073 LXQZHRZKQHTRCA-OYDLWJJNSA-N 442.560 2.120 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1507710298 MPMRPSNNCIRVCF-KRWDZBQOSA-N 431.541 2.068 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1507720240 IIZAJIOSCCFTRX-QFIPXVFZSA-N 434.544 2.158 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1507918703 HSVFREKCSQUHTJ-JKSUJKDBSA-N 425.599 2.261 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C)c2ccccc2C1 1508136400 FTMMWQOQVHKKOU-UHFFFAOYSA-N 440.573 2.341 30 10 IEEE COC[C@@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C#N 1518743449 CRAQYERWPKUELI-HIFRSBDPSA-N 437.545 2.127 30 10 IEEE N#Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ncc2c1COCC2 1529422405 BZVYCQWJDMSOGZ-UHFFFAOYSA-N 426.498 2.453 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2ccc(F)cc2O1 1530413276 MFCMZBDIGBXZFO-IBGZPJMESA-N 446.456 2.484 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)CCCN1C(=O)OC(C)(C)C 1537879560 CIQMTYHUDFHCFN-KZZOLAOHSA-N 434.533 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1539003298 NOENQSUHCGDLRB-IRXDYDNUSA-N 449.559 2.202 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1539204165 ZLZLBFZMKAYNEN-LLVKDONJSA-N 439.326 2.190 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1COc2ccccc2O1 1539337377 HZDBZTILYYVBMB-JQVVWYNYSA-N 436.512 2.305 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1539631522 LSURCNNDMVPJFU-MLHJIOFPSA-N 438.594 2.165 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1539916457 KXXXHLQPINPBLX-KRWDZBQOSA-N 437.610 2.230 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1540019224 DUKXGFGAQJGHIE-JOCHJYFZSA-N 431.512 2.246 30 10 IEEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1540759821 PNVOQMJXAFRUJQ-MRXNPFEDSA-N 447.377 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1540864470 AXESPRIDGUPMNR-LJQANCHMSA-N 439.520 2.220 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C/C(C)=C/c1ccccc1 1540871420 LJSVYVUNSQQKDV-UMEYKSNOSA-N 443.573 2.022 30 10 IEEE Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cnn1CCC#N 1544514992 YYKHWWAYLFNTJL-MRXNPFEDSA-N 429.546 2.456 30 10 IEEE CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1545648084 CPZHFOLZTCZQFI-MEUCICPISA-N 426.525 2.077 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1=O 1554353846 JCWNLZJWHSSQRQ-KXBFYZLASA-N 434.422 2.063 30 10 IEEE COc1ccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)cc1 1554962974 HBUGFPBKYBVBKC-SJORKVTESA-N 426.521 2.472 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCSCCCO)c1 1555987585 NWRNJIYUUKXBTM-LJQANCHMSA-N 438.561 2.365 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC[C@H]2CCCO2)c1 1555987684 PANOLFVNBHVBHO-VQTJNVASSA-N 438.532 2.104 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCSCCCO)cc1 1555988852 QWWGZPGKXXEHHA-KRWDZBQOSA-N 428.562 2.024 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C 1557356088 DXRBQCGYCLEXBM-NVXWUHKLSA-N 435.546 2.338 30 10 IEEE CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](C)C(=O)OC(C)(C)C 1557479191 MKFJQMWVBKQOLC-YOEHRIQHSA-N 428.489 2.342 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1557770825 WXBHWSSMIXEWQZ-OAHLLOKOSA-N 442.497 2.228 30 10 IEEE CS(=O)(=O)c1ccc(Nc2cnn(Cc3ccc(C#N)cc3)c2)c(S(C)(=O)=O)c1 1559262723 PSYIKENQJQAEJP-UHFFFAOYSA-N 430.511 2.354 30 10 IEEE C=CCC[C@@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)OCC 1560836792 FLOSOTUEYSGLFO-HXUWFJFHSA-N 437.562 2.286 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ccc(Br)cn1 1570136602 FIRCPKVTSOIESD-OAHLLOKOSA-N 449.330 2.246 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC 1585593803 OWMHGUSRFDAZNO-UHFFFAOYSA-N 438.546 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CC4(CCOCC4)CO3)C2)C1 1587520854 UPVWPMKWCMVFAT-QKBUSNMPSA-N 433.549 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCS(C)(=O)=O 1587932051 KCMLUOSZUHENGY-UHFFFAOYSA-N 441.351 2.220 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1594669383 XSOMRHSGOADEGN-BGYRXZFFSA-N 431.629 2.377 30 10 IEEE C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 1595340599 LWKADLCTCWSTOM-HNNXBMFYSA-N 429.498 2.265 30 10 IEEE C=CC1(CC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)CN(C(=O)OC(C)(C)C)C1 1595861970 WMGQZEMIIBCQNO-NRFANRHFSA-N 428.489 2.493 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1596978663 PTJDTQDMRKMJCG-DLBZAZTESA-N 435.546 2.261 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)cc1 1611594577 QTDAWDXPBSFILY-UHFFFAOYSA-N 433.921 2.428 30 10 IEEE C=C[C@H](COC)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1617155588 RIPAYDLEXALZGW-OAHLLOKOSA-N 432.952 2.357 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(C)C)C[C@H]1O 1618883784 DKIBBKADFZQERC-WOJBJXKFSA-N 441.532 2.240 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1620324827 GNZLNTDYHZORTI-BVFCJKAASA-N 444.536 2.050 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cc2C1 1622593210 XOBGOSOADRNFPP-QGZVFWFLSA-N 445.570 2.185 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c([N+](=O)[O-])c1 1624177591 OLICDWGJMGFKIA-UHFFFAOYSA-N 429.454 2.306 30 10 IEEE CN1CCN(c2ccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn2)CC1 1629315327 NPJZKZPYSUTSPS-GOSISDBHSA-N 430.553 2.037 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)c1ccc(F)cc1 1629942928 NUXYJBORZTTXIG-QGZVFWFLSA-N 447.532 2.317 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)s1 1634403983 QJQUTNGQXNGUDD-GTNSWQLSSA-N 428.967 2.333 30 10 IEEE Cn1nccc1[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1635630028 KRXCOXFCWGFOOW-FQEVSTJZSA-N 427.530 2.056 30 10 IEEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636303956 DKWAQJQBIFBVMJ-FUHWJXTLSA-N 435.565 2.077 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)cc1 1636633425 XXOJNQODZOTGOW-UHFFFAOYSA-N 429.230 2.020 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@](C)(C(F)F)C3)nnc12 1638947517 CHFVYJRVHJRAIO-FQEVSTJZSA-N 449.483 2.205 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)s1 1641760793 FSLGIRVGNGWMNM-LJQANCHMSA-N 426.535 2.004 30 10 IEEE CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N2CC[C@@](C)(C#N)C2)cc1 1646251978 FVUCJBFJFOEVCN-AVRDEDQJSA-N 433.574 2.279 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1651873861 WPKRIPHPGPJWDZ-DEOSSOPVSA-N 431.448 2.070 30 10 IEEE CNCCCc1[nH]nc(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1C#N 1654181771 JAXBRSROYXISFR-LBPRGKRZSA-N 431.294 2.260 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CCN(c3ccncc3)C2)nn(-c2ccc(F)cc2)c1N 1654205563 JZTHNCSBVNEBCS-MRXNPFEDSA-N 433.491 2.436 30 10 IEEE CCOC(=O)c1sc([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)nc1C 1654667799 LLOYKXKLSGIJIK-MSOLQXFVSA-N 447.605 2.110 30 10 IEEE CC(C)CN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H](C)C1=O 1663511224 HMTOMAIZHUOWGM-NSHDSACASA-N 432.315 2.337 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)n1 1663734449 WIELLXIANBUBDS-UHFFFAOYSA-N 426.882 2.224 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OCC 1663975739 KJMFSFQMRIBXKX-ZDUSSCGKSA-N 429.438 2.156 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1681285381 GPVQPCUAUFGWGT-MOPGFXCFSA-N 444.557 2.293 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1689984584 RCLXBTUULKAOIH-MJGOQNOKSA-N 441.582 2.197 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1690087306 RVMKQBYLIJFQJW-ICSRJNTNSA-N 443.523 2.247 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1690205055 ZFTKVQZBYWRJKQ-ZJSXRUAMSA-N 428.625 2.438 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1690525783 PZCWSJPEIWQFEL-UHFFFAOYSA-N 427.571 2.059 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1691000126 XERXVJLVDJQWMW-PBHICJAKSA-N 432.488 2.077 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1)N1CCOCC1 1692694492 FIKBBBVHHPMNFE-GOSISDBHSA-N 432.532 2.006 30 10 IEEE CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1694404125 MLYMUZBKAPADNF-GOSISDBHSA-N 436.520 2.100 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1695256616 CQFQFOKUJXIAFD-UHFFFAOYSA-N 447.547 2.126 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C)N2CCOCC2)c1 1705505598 QOSBRXIJKTZVOT-SFHVURJKSA-N 447.543 2.050 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCc2cn[nH]c2)CC1 1705637358 TXJDFJDLLRRDMR-UHFFFAOYSA-N 440.349 2.429 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1705639867 YGKYVZODPYVYTH-IRLDBZIGSA-N 440.567 2.369 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705708813 HRXLEVAIBYRONU-GIWBLDEGSA-N 446.640 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]2CCC[C@H]21 1705930452 NSJLGRJRUSBUSU-DLBZAZTESA-N 444.561 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1705935131 HZPZSCSLPZHIAF-HXUWFJFHSA-N 438.981 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C)=C(Br)C1 1705936177 LCOYJSOVTMNGBH-AWEZNQCLSA-N 445.383 2.262 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1706057895 UOLHMZCKZPYFTA-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1706943949 DWONRBPIERYSSE-CVDCTZTESA-N 436.516 2.399 30 10 IEEE CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1708877355 AFIOQKDBLYFFRN-QUCCMNQESA-N 446.596 2.385 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711948744 IVAPYXXOHBRJBN-XDOYNYLZSA-N 447.499 2.220 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722378016 OGKLCGVRRYDBEC-QFIPXVFZSA-N 428.540 2.257 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722385793 OWYWULMPVUCBTB-SFHVURJKSA-N 442.564 2.023 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)nc1 1722396660 CJKNPFZVTJDXQQ-HXUWFJFHSA-N 431.544 2.126 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3ccnc32)CC1 1722575022 VYRGXRBSTYUSQX-WBVHZDCISA-N 433.582 2.065 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CCC2)CC1 1722581316 SLBPTELXTKRITM-ROUUACIJSA-N 438.594 2.372 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1722588926 HTUPESOLNRUAOU-UHFFFAOYSA-N 437.610 2.406 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1722603626 KJJMAYKOCNLGKG-HOTGVXAUSA-N 447.552 2.449 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722703318 YUOIANHXNAWSLO-INIZCTEOSA-N 439.438 2.235 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(F)c2)C1 1722708653 AUVXHPRAPCSODR-KRWDZBQOSA-N 429.496 2.491 30 10 IEEE CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1727159849 DGYWAWWKJOMNEB-FXAWDEMLSA-N 426.569 2.468 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1740581504 ZFUZLJUHQRDIJX-LJQANCHMSA-N 444.605 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 1740656487 KGBQLKBJPODZAT-UYAOXDASSA-N 444.532 2.170 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(CN(C)CC)c2)CC1 1740696197 OBVVVFPMARSRFK-QHCPKHFHSA-N 436.604 2.427 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1740781536 MMDDBLUGIXFZDF-NRFANRHFSA-N 437.592 2.059 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740887139 CZNODPXHLMPOKM-NQIIRXRSSA-N 441.532 2.488 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740937090 SVIPTMWHMSADCJ-IEBWSBKVSA-N 449.577 2.239 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2)C1 1740979450 FGFSNNOKBPDYTJ-PKOBYXMFSA-N 432.546 2.018 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1741001791 BNHVJAWMWMLISE-UHFFFAOYSA-N 446.596 2.137 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CC1 1741085627 DVTALYUEHKBWAG-HSZRJFAPSA-N 434.500 2.422 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)OC(C)(C)C 1741807626 IRSVXAQBQLEIGB-OAHLLOKOSA-N 441.536 2.432 30 10 IEEE Cn1ccc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1748024968 OWBGSBIUGBHRIH-AWEZNQCLSA-N 428.294 2.218 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1748790408 YHYNKKFFVHEQQW-BJLQDIEVSA-N 443.573 2.108 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1748801655 DGOYZXVJVLMCRJ-IBGZPJMESA-N 433.622 2.077 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748812325 SOQZMUOYJREWPT-OAHLLOKOSA-N 431.468 2.226 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748815300 OHPQPPYEIPBNPR-QGZVFWFLSA-N 431.562 2.090 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748819959 VOOZACGYVMMKTD-OAQYLSRUSA-N 443.617 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(CC)CC)nc1 1748874751 DKDFWALDDSGERT-UHFFFAOYSA-N 433.560 2.267 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCCOC)CC1 1748984116 MSYWSSDHYWWYNW-UHFFFAOYSA-N 434.544 2.112 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCc2c[nH]nc2C)CC1 1748998855 BZVZLZSBMLLNCS-UHFFFAOYSA-N 449.559 2.285 30 10 IEEE C=CCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749643560 VUIWCAOJIGGRJV-OFNKIYASSA-N 432.613 2.109 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2)C1 1749698279 SKVMIULDPUEFOX-CRAIPNDOSA-N 437.541 2.051 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1751096984 BGGTZSKQHFSRDB-HNNXBMFYSA-N 431.541 2.006 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 1760136814 CEBDQKAXMSXWGN-IBGZPJMESA-N 435.594 2.183 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1760144730 ZYEFENUQEKFFBX-UHFFFAOYSA-N 444.923 2.163 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1760153620 WYTQHKCOODYPKI-ZWKOTPCHSA-N 435.532 2.201 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@@H]1C 1760176768 STDDWWIZTWWWFM-QFIPXVFZSA-N 435.620 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1(O)CCOCC1 1760215101 OUMKABZVVWRDFK-UHFFFAOYSA-N 438.528 2.357 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)CC1CCC1 1760316028 LHXRFBDWHUCHIA-NJAFHUGGSA-N 425.599 2.496 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)CC1 1760326591 YJPKGTJXOFWIKG-KNQAVFIVSA-N 426.565 2.014 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1760338251 ZVOMUWCMIKGJKS-KRWDZBQOSA-N 437.610 2.374 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NCCC)CC1 1760388687 WSIOSOMUXDGHCH-UHFFFAOYSA-N 435.532 2.265 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCC[C@H]21 1760517523 OZBXCUMYGBIYFA-CRAIPNDOSA-N 429.546 2.030 30 10 IEEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(C#N)C2)c1=O 1766971312 RBWWXFHRCQIXRH-SFYKDHMMSA-N 440.548 2.362 30 10 IEEE COc1ccncc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1770554732 COOQTDXFJKEJSS-HNNXBMFYSA-N 426.427 2.328 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1772566886 DQVKAJZOYUWXLF-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE CN1C(=O)CC[C@@H]1CO[C@H](COc1ccccc1C#N)CS(=O)(=O)c1ccccc1 1851326560 LGPQIBDJHMGVDF-RTBURBONSA-N 428.510 2.417 30 10 IEEE CN1C(=O)CC[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)[C@@H]1c1ccccc1 1852086765 ZKZOFLGINXSUER-BBRMVZONSA-N 431.436 2.467 30 10 IEEE C=C(C)CN1CCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C(=O)C12CCCC2 1853680567 JUGBFWITSJRKBI-UHFFFAOYSA-N 434.558 2.419 30 10 IEEE CC(C)(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O)c1ccccc1 1854037341 JGDBDPSXIZEHTM-UHFFFAOYSA-N 425.510 2.286 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)OC1=O 1855755856 UJYGWOVLAVDMJD-HNNXBMFYSA-N 445.419 2.367 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 1862627239 KWNBBTCTCYKFNC-LJQANCHMSA-N 426.400 2.269 30 10 IEEE COc1cccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(C#N)cc3)c(C)o2)c1 1866673753 MCNXWOUQOHWFMI-HXUWFJFHSA-N 434.452 2.189 30 10 IEEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870771656 ZLHHUXBMICFWQF-UHFFFAOYSA-N 425.529 2.498 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(OC)cc1OC 1874469418 DMEWGHJZBYRKRC-FYJGNVAPSA-N 435.550 2.327 30 10 IEEE COc1nc(C)c(Cl)c(C)c1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889349134 ORUMZXVSPFQGDX-UHFFFAOYSA-N 448.995 2.232 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1991833136 QTCQQUSRTWFFFM-UHFFFAOYSA-N 427.542 2.336 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2060636304 WOBXUFIVVGSWAC-BZUAXINKSA-N 435.374 2.136 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2067678973 NDFZJBDFOWEKKI-YHUYYLMFSA-N 436.358 2.467 30 10 IEEE CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)N2CCc3sc(CN)nc3C2)c1 2079437280 BMZQDHINHNDASU-UHFFFAOYSA-N 448.574 2.005 30 10 IEEE C#C[C@]1(C)COCCN1C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2215659278 XTEGEIBNZUGHHY-DNQXCXABSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247825884 KMSJFZYMZVCTFN-IMRBUKKESA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254805370 KCZLKTHZIGHQQW-UKRRQHHQSA-N 437.321 2.472 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2255631312 WSLMIQSIOCFLDO-CQSZACIVSA-N 434.346 2.180 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](OCc2ccccc2)C1 2255638628 LNHBIFQXMOFGIG-GOSISDBHSA-N 425.338 2.459 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCONC(=O)OC(C)(C)C 2255838394 FRRUILQNNHLKCL-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255849316 NUUDTMKZZYXFGF-UNEWFSDZSA-N 431.342 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957994 SHWNBTJDIKHGCJ-DLBZAZTESA-N 436.358 2.447 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129362 ADELTURATWZIKF-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267134216 MNYBKVPTHMLGSO-ZDUSSCGKSA-N 448.373 2.013 30 10 IEEE Cn1nc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267136266 FGLHFMLXPJVNTF-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cn1ncc(C(=O)NCC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267190334 MVZGRTMUYIWZMU-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267190336 MWMUMRZCTQYTHI-CABCVRRESA-N 448.373 2.143 30 10 IEEE CCn1cc(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267488223 SLMJQAOOIWKWMT-GJZGRUSLSA-N 448.373 2.235 30 10 IEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267871338 OIVWGIXCUDFYAV-CABCVRRESA-N 446.357 2.009 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268647740 QUFKVIHAZQMPKR-HOCLYGCPSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3cc(Br)cnc3C#N)O[C@H]2C1 2279767351 VKUVSXPUUZNVPZ-KCXAZCMYSA-N 440.294 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315642490 HWWPUORUNOGLLY-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE O=[N+]([O-])c1cc(C=Nn2c(CCOc3ccccc3)nnc2SCCO)ccc1O 2329232703 FTLHVHYSIUEYDB-UHFFFAOYSA-N 429.458 2.480 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337201979 BYSDTJHQQMYFME-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337286645 BKJCSNWEKDGILG-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C#C[C@@H](N)[C@@H](O)c1sc(Cl)cc1I)S(C)(=O)=O 2366653986 QQIQQFUEKHLXBU-PSASIEDQSA-N 447.747 2.193 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 8659843 BFNOQUVNQXUYIL-DEDYPNTBSA-N 431.474 2.466 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1 102700922 VEDPXVPGSCTSMK-AGGMBTAESA-N 438.480 2.450 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(C#N)cc3F)c([N+](=O)[O-])c2)CC1 301168855 ITKJXMDISDISGZ-UHFFFAOYSA-N 433.465 2.154 30 10 IEEE COc1c(C)cnc(Cn2cnc(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)n2)c1C 447702723 DQVDQQOZOSOOPF-UHFFFAOYSA-N 442.483 2.965 30 10 IEEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1C#N 460615216 RGVUICIPSJYJCX-UHFFFAOYSA-N 443.403 2.060 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 460804647 QUGXDBKPXIQOTC-FUHWJXTLSA-N 435.550 2.430 30 10 IEEE COc1c(F)cc(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 503963982 XFIPOXRWEVPQMH-UHFFFAOYSA-N 429.473 2.212 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 504112481 XNKSKZKXZQJSNA-SFHVURJKSA-N 431.901 2.297 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 508924286 XQAJURNTLKPISR-IBGZPJMESA-N 447.605 2.472 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CNC3(c4ccc(Cl)cc4)CCOCC3)CC2)o1 533520252 DNAIRQICEQWWMC-UHFFFAOYSA-N 443.935 2.452 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 534871195 ICIZMNOYHCMKJZ-OAHLLOKOSA-N 438.513 2.117 30 10 IEEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)Cc1ccccc1 536452488 BZUMPVIPTNLVKT-KRWDZBQOSA-N 439.537 2.275 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 543339137 WTZKOSPZWUWQFI-UHFFFAOYSA-N 441.557 2.490 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)ccc21 544775188 NJRKVTWFOOJVFA-UHFFFAOYSA-N 426.498 2.348 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc(Br)c1C 555139679 IJLYFYRJWBKPRO-INIZCTEOSA-N 431.308 2.237 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 555238213 HMZQIJJXFUBVFD-SFHVURJKSA-N 426.477 2.257 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@H](c4ccc(F)cc4)C3)CC2)o1 563489052 QCWDMENITNZNHV-YWZLYKJASA-N 427.480 2.104 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2cccc(C)c2)nc1C 586355153 ZVOHLUDDFACISL-LJAQVGFWSA-N 435.527 2.429 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccccc3)c2=O)cc1 603793995 DXPRUFXKIVUDID-UHFFFAOYSA-N 433.533 2.325 30 10 IEEE CCn1nc(C)cc1C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 726322300 UMWYZCDGVZWNBF-GOSISDBHSA-N 443.529 2.347 30 10 IEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(NC(=O)CC3CCCC3)CC2)C1=O 731351488 ZGDPVMGUAZSNMY-XMMPIXPASA-N 437.544 2.444 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(F)c4ncccc34)cc2C1=O 747347595 HSTWARFMYLRWJP-UHFFFAOYSA-N 439.424 2.275 30 10 IEEE CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747499069 VEQVAZLLWHISPP-UHFFFAOYSA-N 444.513 2.364 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1C#N 747499094 WANALERPLGFGCS-UHFFFAOYSA-N 438.509 2.011 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C[C@@H](C)C#N)C2CC2)c1 754175718 UHFJSZRBSKOEFD-LBPRGKRZSA-N 444.351 2.138 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCSCc1ccccc1C#N 754883237 PLJRAQZLTQZARJ-SFHVURJKSA-N 446.573 2.423 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3cn(-c4ccc(OC)cc4)nn3)ccc2c1=O 755560502 FKWXEIIVCNKOHZ-UHFFFAOYSA-N 448.508 2.391 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2)CC1 757607236 WDGQBBKVKIRGPW-ICSRJNTNSA-N 427.549 2.317 30 10 IEEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 760967305 SELALANFGBXLBM-HNNXBMFYSA-N 435.546 2.086 30 10 IEEE CC(Cn1cc(Br)ccc1=O)=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 761745664 YUYCNJFGKJMNFA-UHFFFAOYSA-N 443.279 2.182 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 764630342 ZXZDPXFHZCEDHZ-SFHVURJKSA-N 436.597 2.106 30 10 IEEE COc1ccc(-c2nc(SCC(=O)N3CCOC[C@@H]3C3CC3)nc(O)c2C#N)cc1 765528409 HJXPMCJQGADPDM-QGZVFWFLSA-N 426.498 2.459 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766371715 GESUMMGOOMIFBE-NRFANRHFSA-N 428.533 2.110 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NN=C2CC(=O)N(C(=O)OC(C)(C)C)[C@H]2C)nc1 766435016 WTYSMULXDKCDBT-LBPRGKRZSA-N 425.511 2.092 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(Cc4ccc(O[C@H](C)C#N)cc4)CC3)C2=O)n(C)n1 780789934 NVGIPGRCCSHSPW-KNQAVFIVSA-N 436.560 2.333 30 10 IEEE CSC1(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C#N)CC1 788409980 GUWRXNGKIQVCLO-QGZVFWFLSA-N 445.614 2.453 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OCC)cc1 792747168 IHOJIITUBYVFIK-MJGOQNOKSA-N 430.574 2.497 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 794060117 LWIAMQXOSTXBOQ-MKXGPGLRSA-N 436.961 2.240 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2snnc2C)cc1 813563703 ZMUFOPISQYPCGA-MRXNPFEDSA-N 446.602 2.355 30 10 IEEE C[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(F)cc1 918589941 FONRRYBIFTVADY-AWEZNQCLSA-N 433.461 2.052 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 919077803 QFDKTEABBIXWRM-KRWDZBQOSA-N 435.480 2.290 30 10 IEEE C#CCN(C(=O)CN1CCCCS1(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1126152095 XJUQXYCWFNUINY-INIZCTEOSA-N 441.347 2.160 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)CC1 1135317952 GHFHECAKVVEPPF-NRFANRHFSA-N 431.540 2.022 30 10 IEEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1146220775 KWKRWAKMKVPKLC-PKOBYXMFSA-N 430.530 2.043 30 10 IEEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 1158280568 KLCGZKHJQSJDFO-FCEWJHQRSA-N 438.546 2.112 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1171850777 YJDYPDXCSFOCBM-INIZCTEOSA-N 449.573 2.364 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)NCc3ccccc3CN3CCCC3=O)CCO2)cc1 1198219797 SIPKIGZOIQPBBH-QHCPKHFHSA-N 432.524 2.370 30 10 IEEE N#CCCn1cc(C(=O)NCC[S@](=O)CC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 1278943885 ZFWZATOVANKEQC-PMERELPUSA-N 443.407 2.413 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)Cn3cc(Br)ccc3=O)c2C#N)C1 1280417369 HOJYOIUZNLFUKQ-UHFFFAOYSA-N 435.303 2.087 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1286313920 HRPFNBLNKQXSLT-IAGOWNOFSA-N 431.562 2.479 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1286388422 OVHMRIKLJKKVCQ-FUTAKVPZSA-N 428.514 2.267 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC(C)(C)C1 1286711104 IRYDVNAKRKCQKU-UHFFFAOYSA-N 448.593 2.446 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1286767500 UYTFPAWIGHZGTF-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[C@H]2CCCS2(=O)=O)CC1 1288370291 JRPPRXWHDJNALP-OAHLLOKOSA-N 432.502 2.106 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1291295712 CCJVWQFLHVSMTK-VQIMIIECSA-N 431.562 2.360 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1OCC[C@H]1C 1291598671 CBTNXODPAZKLPX-GPMSIDNRSA-N 426.569 2.457 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](C(N)=O)c3ccc(F)cc3)C2)C1 1296113963 SWCVMGKMRQPOJF-GDRCOGEISA-N 430.480 2.255 30 10 IEEE CN1CC[C@@](O)(Cn2c(N3CCCN(c4ccccc4C#N)CC3)nnc2C(C)(C)C)C1 1298884806 DGDGHUOKSIFUDL-DEOSSOPVSA-N 437.592 2.231 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)CC)CC1 1300682852 KGMJJOYIHDFXNN-BJLXPSRBSA-N 433.553 2.081 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](CCC)OC)CC1 1300699908 JMIUUTIRPIRVLE-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@](C)(O)CCOC)CC1 1300719211 RSJXHLGMNJFIJR-DEOSSOPVSA-N 439.560 2.007 30 10 IEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O 1300834200 LNLNCPHLFYLLRU-UHFFFAOYSA-N 434.747 2.383 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1300848480 GFASLYFBDYSZSG-MJBXVCDLSA-N 433.372 2.093 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)CC1 1301106231 RTYBMTOWKDSSIB-AWEZNQCLSA-N 434.566 2.206 30 10 IEEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301177284 XDAPZOVOMRSAFF-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1301505617 COFGYVPDFUIHLJ-MRXNPFEDSA-N 431.500 2.222 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@@]1(OCC)CCOC1 1301621341 VWYDTUDSUJJMIP-OXQOHEQNSA-N 433.582 2.319 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C 1304718948 ABNNWJAAYRJSLQ-UHFFFAOYSA-N 436.564 2.382 30 10 IEEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1305689706 ARSNPLSYBIXNLX-RTBURBONSA-N 441.532 2.382 30 10 IEEE C#CCN(C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(C)CC1 1311709737 LCJXBYGZAUSAAM-UHFFFAOYSA-N 432.590 2.100 30 10 IEEE CCOCCOc1cc(C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1314504504 YOWHAQPOURBQRW-VQTJNVASSA-N 441.532 2.283 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1315020168 KHQFNMFREUCULP-UHFFFAOYSA-N 432.475 2.451 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1358427649 FFCRBIOVVWWJPO-FQEVSTJZSA-N 440.523 2.029 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1358887895 DIFIUQHMAXUMIE-SJLPKXTDSA-N 433.553 2.266 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C(C)C)N1CCOCC1 1358943310 DNRZFHGHJNQIAM-HXUWFJFHSA-N 427.549 2.389 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1358956683 JKDXFSUGKRSROE-FUHWJXTLSA-N 431.562 2.260 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1358962102 KKNGEQYIGAIYOH-QUCCMNQESA-N 444.557 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C/C=C/c2ccccc2)CC1 1359044029 SCGTVSZNJIHTIM-JXMROGBWSA-N 429.528 2.358 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1359057361 XXAZAAUTRAMHCZ-HNNXBMFYSA-N 431.522 2.095 30 10 IEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1359138943 HVTDKPNSFISJJY-IBGZPJMESA-N 426.546 2.405 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1359472334 KBUPEZWPLQJXFY-INIZCTEOSA-N 441.536 2.394 30 10 IEEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1360399335 VBGFBPSTVRJNBH-NRFANRHFSA-N 429.546 2.257 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1Cc1ccccc1 1436730004 ZWEMXSFPOIAVQL-GCJKJVERSA-N 445.523 2.496 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 1443047517 FSJUZAZAMVWLKJ-AWRGLXIESA-N 442.560 2.495 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CCC(=O)OCC)C2)s1 1446639030 QFOKFFAZNDSPEV-HNNXBMFYSA-N 428.576 2.337 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 1461547292 XZBJWLZWAPUCKV-UHFFFAOYSA-N 427.486 2.327 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)c1 1464784931 JXXPPQLLBZGLMP-UHFFFAOYSA-N 439.581 2.161 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2ccsc2C#N)CC1 1470095822 IVBGSEZVSYEJNZ-UHFFFAOYSA-N 427.271 2.218 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)nnc1-c1ccco1 1470543271 LWFUVYPVNRVUHC-HNNXBMFYSA-N 432.550 2.421 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(OC)c(Br)cc2OC)nn1 1475568262 GAHKOHSDTGWGTC-UHFFFAOYSA-N 431.312 2.112 30 10 IEEE C=CCN(C(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1476602139 ZYEYEGGNRQSFJI-HNNXBMFYSA-N 433.452 2.381 30 10 IEEE C=CCCSCCNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1478936326 URTJJAZZBCFMOR-OAHLLOKOSA-N 427.567 2.347 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1492492372 ASCYBRKVHOMEOD-CRAIPNDOSA-N 431.562 2.472 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO)[C@H]1CCCc2c1cnn2C 1503412225 IILHETDDQSTRAW-FQEVSTJZSA-N 435.532 2.463 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1503746334 IVSYMOGXNMROFR-DLBZAZTESA-N 430.459 2.203 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1504437241 AZTSIJYCROBHOV-XZOQPEGZSA-N 438.532 2.474 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)cs1 1504653285 HBUCYTLNLRMDFW-HDICACEKSA-N 440.529 2.318 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1505143998 HIAJONYMVUWIJU-IBGZPJMESA-N 429.546 2.257 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1507537168 GSEZALXWXSCELC-GXTWGEPZSA-N 442.463 2.427 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507629214 KURGXRWKGWTDLO-QGZVFWFLSA-N 445.564 2.195 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1507634743 PSZFMQVDYIOQAZ-FQEVSTJZSA-N 444.601 2.355 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1507635192 QFUVGTILYUHUHY-IBGZPJMESA-N 428.558 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C 1507675308 BGNOALCGZSMKDG-HXUWFJFHSA-N 435.528 2.243 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1507797381 LLXQAAFBZVZJBX-AABGKKOBSA-N 433.597 2.310 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1507848166 HEWSFVYZBPIZQE-KZNAEPCWSA-N 433.553 2.430 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1507931200 XCJYWEFKHKOBFT-MRXNPFEDSA-N 435.532 2.215 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCOCC1 1507978724 RNZGURITGKOXAA-UHFFFAOYSA-N 448.593 2.304 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC1 1508001447 RJRYNZKYFMTRBT-UHFFFAOYSA-N 438.576 2.474 30 10 IEEE C[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1510342878 AFDWTSJFTFMMOP-DYESRHJHSA-N 444.923 2.159 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1514178404 FTSNPRKOAYQMPK-IBGZPJMESA-N 442.589 2.393 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1515671458 FYTDYOARDULSBW-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1517884353 CWWKUYAFMFSTAK-OAQYLSRUSA-N 446.577 2.150 30 10 IEEE CCOc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1S(=O)(=O)N1CCOCC1 1525318330 COZBZDIDFJVWNQ-UHFFFAOYSA-N 433.461 2.369 30 10 IEEE C#CC[C@@]1(C(=O)OCc2c(Br)nnn2C)CCCN1C(=O)OC(C)(C)C 1527262876 SJWQLYVLWCBNOK-KRWDZBQOSA-N 427.299 2.414 30 10 IEEE C#C[C@H]1COCCN1C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CCCCC 1535552347 CNAJSMWJHPYLAB-KRWDZBQOSA-N 443.548 2.082 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539154240 NEQYMLLISDIXBH-VGSWGCGISA-N 433.553 2.399 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1539212137 SDSOVSXZADEPFT-SJORKVTESA-N 445.614 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOC(C)C 1539299754 MLPJIYWHOKLXBA-UHFFFAOYSA-N 442.589 2.435 30 10 IEEE CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1539408504 QWJFWLUTTYIBPC-UHFFFAOYSA-N 428.445 2.434 30 10 IEEE COc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1-n1cnnn1 1539605241 CEAFCKNSQRGHNR-UHFFFAOYSA-N 429.234 2.323 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CCC(C)C)CC1 1539873894 GJJSORGIOMHMJE-OXJNMPFZSA-N 427.615 2.478 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1539948256 VQHXJUWFWRPXKI-WOJBJXKFSA-N 430.597 2.417 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540875840 ZJZHPRVIUKRLIX-SJORKVTESA-N 430.528 2.217 30 10 IEEE CC(C)Cc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541446847 XCUPRLDXIUNSBG-XQDODVJUSA-N 442.564 2.398 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2c[nH]nc2I)cc(OC)c1OC 1542479197 CNYNCCLYXPTJKX-SNVBAGLBSA-N 442.213 2.035 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1544153533 WHDRHMKMMMJXED-RXVVDRJESA-N 440.569 2.376 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)C1 1557240399 JXOZHVMLEBKOGV-SFHVURJKSA-N 430.505 2.103 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 1557397630 CRNUGQQPXMNGRS-RAJOGRCSSA-N 434.290 2.266 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1557978389 USSAWKQVHCHGBL-KXBFYZLASA-N 434.512 2.210 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1558102322 GNKXZBBHSQZEQE-UHFFFAOYSA-N 443.481 2.386 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1558511043 LOJTUOXQLHBFDU-FNXXIHLHSA-N 433.530 2.283 30 10 IEEE C#CC1(O)CN(C(=O)c2ccc3c(=O)n(Cc4ccccc4Cl)c(S)nc3c2)C1 1558692062 YYOPDMHBJXTGBM-UHFFFAOYSA-N 425.897 2.207 30 10 IEEE Cn1nnnc1CCCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1558754876 YKKMVGCSQFUNMS-UHFFFAOYSA-N 435.513 2.175 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(c2nccn3nc(C)cc23)C1 1558822015 QBGBWXYHDCGPHF-OAHLLOKOSA-N 434.928 2.378 30 10 IEEE Cc1ccc(N(C(=O)Cn2c3c(cc(C#N)c2=O)CCC3)[C@H]2C=CS(=O)(=O)C2)cc1C 1559471788 GAVKFAMPLALTGE-FQEVSTJZSA-N 437.521 2.169 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCNC(=O)CCCc2ccccc2)C1 1564530468 CXDJOGHUAAMYNJ-MOPGFXCFSA-N 443.548 2.184 30 10 IEEE CC(C)C(=O)N1CCC(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1583847898 HYMWBPBFFOWRPL-UHFFFAOYSA-N 434.544 2.492 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1587702166 PHFTYDMMMQLRKQ-IBGZPJMESA-N 426.569 2.345 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1587798907 VLTRZEAVUOAYIN-WOJBJXKFSA-N 428.581 2.066 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1587804288 XQNCGDMHLNOIHI-MJGOQNOKSA-N 436.516 2.495 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CCC1 1588200088 BYMXFMXXKIHAHO-UHFFFAOYSA-N 431.949 2.424 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1594229607 QKFJPAKSGRQKIW-IBGZPJMESA-N 443.573 2.247 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595051192 VGEGZQAOMWUWFD-HOTGVXAUSA-N 442.486 2.037 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1595093694 HAVUULMZSISJEU-MOPGFXCFSA-N 447.543 2.208 30 10 IEEE C[C@H](C#N)N(C)C(=O)CCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 1595711689 UYEAMUSDPOZUKC-CQSZACIVSA-N 442.969 2.251 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCN(C)C2)C1 1595744038 IWKKFBAQODZRQB-QPPBQGQZSA-N 425.577 2.301 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1595905860 SMORWQYCDLGJSX-HKUYNNGSSA-N 445.593 2.038 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1596789008 FANUCOHYCKGNPX-VXGBXAGGSA-N 444.483 2.144 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1597053357 JTLBVOHMRCJJMQ-QGZVFWFLSA-N 428.510 2.303 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1611994246 YKWVDHNDTLNZNY-RDJZCZTQSA-N 439.520 2.058 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCN1CC(F)(F)F 1612916665 DNGRSUWAQBWGEY-RHSMWYFYSA-N 447.465 2.168 30 10 IEEE COC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1619731166 SMLPCIYTRJBSFE-BPXKWBHBSA-N 445.520 2.072 30 10 IEEE C[C@@H](CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)N1CCN(C)CC1 1632752642 GSODAYGKHDFJDF-LAUBAEHRSA-N 441.576 2.145 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 1635455101 CUPJNWGPEHSPES-UNMCSNQZSA-N 427.522 2.448 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1636700177 PLNXLJQLUZXNPU-CVEARBPZSA-N 432.546 2.034 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 1637874222 UOXODRRFEYJING-HJWRWDBZSA-N 430.482 2.099 30 10 IEEE N#Cc1cn(CC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c(=O)c2sccc12 1644162905 BREDYIALRDPHLV-INIZCTEOSA-N 443.481 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1cnc2n1CCOC2 1647298260 YQXWNZAURKOYFG-FQEVSTJZSA-N 437.500 2.436 30 10 IEEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]2CCCN(CC#N)C2)c1 1648595718 XLGXHJOUFLWCGN-QUCCMNQESA-N 430.549 2.483 30 10 IEEE N#Cc1c(NCC(=O)NCC(=O)NCc2ccccc2)nc2c(c1C#N)CCCCCC2 1652212547 SMXHQTFAOGAMCP-UHFFFAOYSA-N 430.512 2.328 30 10 IEEE Cc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c(Br)c1 1656778388 BQXDIMVJXRCWQJ-UHFFFAOYSA-N 434.290 2.343 30 10 IEEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)nn1 1664129525 AQOSAUNRRPCSLM-UHFFFAOYSA-N 440.367 2.123 30 10 IEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC(c4ccc(C#N)cn4)CC3)cc2CC1 1671373634 VWKZRAFPCXAUCF-UHFFFAOYSA-N 438.553 2.469 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3CCN(C4CCOCC4)CC3)C2=O)cc1 1681516089 OWTBXQWZXMHDSH-JOCHJYFZSA-N 439.560 2.244 30 10 IEEE C=CCOCCCNC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1684056065 ICVXOUXGVTWTNK-UHFFFAOYSA-N 444.454 2.444 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)c2sccc2C)CC1 1684423439 VLBXYHBSNNYYAJ-LJQANCHMSA-N 446.598 2.135 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1689830962 DXNRNGSRWWIVLD-HFMPRLQTSA-N 446.640 2.050 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689992984 SOHVBQZOSKKFBD-OALUTQOASA-N 444.532 2.327 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1690285577 FYYONFBGFXOQSY-GOSISDBHSA-N 428.512 2.275 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690464478 CCHJXQGKAGXIOC-UTKZUKDTSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 1690714244 HZIJFZCWBPTOHA-LJQANCHMSA-N 445.589 2.086 30 10 IEEE CC(C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1692390108 SQDCLTPWWFVESF-SFHVURJKSA-N 447.561 2.140 30 10 IEEE CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1694418417 AUOLFWWAYMTHDJ-LJQANCHMSA-N 439.564 2.316 30 10 IEEE CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)O1 1694424165 APBYDTDFAKQUHX-NQIIRXRSSA-N 446.577 2.150 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCN2CCOC2=O)cc1 1697482086 FPXWWWNAIGCODD-UHFFFAOYSA-N 440.504 2.448 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1705564934 FTUMBGZNRRVLSX-ZCNNSNEGSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCN(C)C1 1705573600 KBJCUJDLSODWPE-VGOFRKELSA-N 427.936 2.211 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCc2sccc2C1 1705585758 ZLZSEFKQMUUKDE-UHFFFAOYSA-N 433.585 2.332 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)NCC=C 1705624768 OCTQRNMMABVXRA-UHFFFAOYSA-N 432.322 2.096 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2csc(COC)n2)CC1 1705641916 YWRIWDIMCKJLDS-UHFFFAOYSA-N 436.585 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCn2cccn2)CC1 1705650251 NRPXXFWDQUAIPM-UHFFFAOYSA-N 437.573 2.183 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705733245 QVYCEYNXUSZPCP-UHFFFAOYSA-N 436.564 2.379 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1705839391 YVCYXDCSCBGFMP-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705908774 HCMBNGYSKACJSB-MAUKXSAKSA-N 447.561 2.033 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1705912909 YHJWLAXMUZBPDZ-FUHWJXTLSA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCC)CC1 1705933446 HOWNXVDNICTZCW-UHFFFAOYSA-N 449.577 2.190 30 10 IEEE CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1708521635 PLUGSKKEHDXLSU-JKSUJKDBSA-N 425.537 2.094 30 10 IEEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCCC1 1708884485 GUAOWKKBRYSUPX-DLBZAZTESA-N 438.598 2.177 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)c1ccccc1 1710697953 NEPQRSXRBSTAPM-UHFFFAOYSA-N 433.516 2.486 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1712882392 BKRMEIYFHMORIB-RHSMWYFYSA-N 435.937 2.152 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1722316588 JYBNQQPVKMVRAV-QGZVFWFLSA-N 448.618 2.157 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1722372460 WZNQTWPPNZBSHX-PBHICJAKSA-N 449.602 2.070 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ncccc1Cl 1722372996 COLYGYTZOPTZPU-OAQYLSRUSA-N 429.908 2.130 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1CC 1722387587 MLNMWECXGWKMLB-UHFFFAOYSA-N 430.516 2.270 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)N(C)C)CCCC1 1722403218 NHXSBNXAHHRCGB-PMACEKPBSA-N 441.576 2.114 30 10 IEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1722425981 UCKKCOYRFLQRQN-QHCPKHFHSA-N 447.649 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@](C)(O)CC)CC1 1722444246 VLQJWEHJIVDQRC-QHCPKHFHSA-N 425.533 2.081 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1C[C@H](C)O[C@H](C)C1 1722468046 FUABKVNFSJHMPI-FAKFISEUSA-N 433.597 2.494 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722525666 GMSYGIDTAFNIAL-GVDBMIGSSA-N 442.568 2.305 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1722690492 JJXCOFIHOCGFMM-ZBFHGGJFSA-N 429.521 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1csc(CC)n1 1722726669 HQHHVLVMNIQUAA-OAHLLOKOSA-N 439.607 2.428 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCS(C)(=O)=O 1722900345 QNHINSNXQOCYPH-UHFFFAOYSA-N 446.577 2.325 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1723769601 LNFCAAJHIUYMBE-QKKBWIMNSA-N 443.939 2.078 30 10 IEEE CC1CCN(CCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1726631909 PHFILQLUENFCRA-NFBKMPQASA-N 446.596 2.169 30 10 IEEE CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1728066627 CXXVYDKHZYFRJQ-QFIPXVFZSA-N 425.537 2.324 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1730483321 DXYCWOGNEZLGKP-SJORKVTESA-N 427.440 2.071 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1740592386 WWRZCJLMYPMFMG-GOSISDBHSA-N 443.573 2.285 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1740683332 CETGWUSITVJFGH-KRWDZBQOSA-N 441.557 2.337 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1Cn1cccn1 1740683840 PRDBJJSWVRRSPK-UHFFFAOYSA-N 430.516 2.058 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740730635 DVNRLBYCEZLMAS-ABSDTBQOSA-N 441.498 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 1740749864 GNCPRSPRYHQTFY-NEWSRXKRSA-N 427.553 2.473 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740781523 LWNLUIOSEODUDR-KRWDZBQOSA-N 428.924 2.421 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740792595 ZNEADPDUCXCSPD-UHFFFAOYSA-N 435.536 2.106 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740955878 CVYSFTYDJONFIO-LJQANCHMSA-N 436.560 2.305 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1740981581 PNXFTFVFPWMVSB-MJGOQNOKSA-N 434.537 2.224 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cccn2)c1 1741804661 HCLLLSLSWFLZLQ-SFHVURJKSA-N 432.532 2.432 30 10 IEEE CNC(=O)c1cccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)c1 1748162770 BNLDWZCVQKOJJI-UZUQRXQVSA-N 440.548 2.465 30 10 IEEE COc1ccc(CCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1OC 1748741578 KWOCVITXGQUVGN-UHFFFAOYSA-N 433.516 2.440 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1748916855 GJRABYCXTIECSJ-HXUWFJFHSA-N 448.365 2.242 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(C)CN(C)C1=O 1748956608 VCGIWTAIGWNNPS-HXUWFJFHSA-N 446.349 2.272 30 10 IEEE COc1cccc(OCCCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c1 1748969873 RPUBWIVLIFYDIY-NRFANRHFSA-N 434.500 2.470 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)C1 1751276988 HGRDIJMUUOOKQL-OAQYLSRUSA-N 441.561 2.029 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CC1 1751279083 QMUJWXYJDRAVNB-OAHLLOKOSA-N 434.953 2.407 30 10 IEEE Cc1nccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1751807389 IDRYWAUFAFSKOI-OAHLLOKOSA-N 445.325 2.360 30 10 IEEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1751815114 FGFSDPCWGISUSG-UHFFFAOYSA-N 432.532 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1760095508 QWKDTUMDWRGRDL-OALUTQOASA-N 438.576 2.143 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760129721 WTRUDGQZZSPSRC-GOSISDBHSA-N 425.537 2.468 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760181137 QBKAXWJIKWVRBK-SLFFLAALSA-N 448.564 2.431 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760182957 LAXOMFHNLCPADG-OAHLLOKOSA-N 431.543 2.286 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OCC 1760196487 IJHIJQZKBMVYAT-UHFFFAOYSA-N 449.536 2.263 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COCc1ccccc1 1760205535 DGJSCAXNWOXVSS-CTNGQTDRSA-N 440.569 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)cc1 1760216987 JXCFMPHFSGQDIP-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760421594 UPESRQQSEFNLFD-UHFFFAOYSA-N 440.548 2.441 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760429677 MGWGZSPCGRFGBA-MRXNPFEDSA-N 428.562 2.437 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1760524963 PBJQXJTZXCMYEN-UHFFFAOYSA-N 442.539 2.194 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(F)(F)C1 1760558103 GKCQEKURZOQXGC-UHFFFAOYSA-N 430.452 2.442 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1Cc1ccc(C#N)o1 1761385922 POITYRXLALXERB-OLZOCXBDSA-N 449.562 2.098 30 10 IEEE CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)O1 1764327485 ONTYOMKMLRCKOU-XXBNENTESA-N 438.532 2.355 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)C1 1767628785 AZCQUHZNOPQSKY-QFIPXVFZSA-N 438.463 2.472 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1768273455 PWCIIDVUNISFKU-GOSISDBHSA-N 440.570 2.044 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1770568315 QEHIIWCYFCKRNK-INIZCTEOSA-N 448.618 2.430 30 10 IEEE Cc1ccc2nc(CO[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)cc(=O)n2c1 1851239976 NQKOTDNFRMQACJ-JOCHJYFZSA-N 434.496 2.171 30 10 IEEE N#Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(Br)c1 1851730553 CGYGNMNOAJEJSS-LBPRGKRZSA-N 443.257 2.479 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1852597311 BERRAHRQSBKMMX-HXUWFJFHSA-N 433.468 2.280 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1853676083 BBXVSVCHRNILGA-GOSISDBHSA-N 437.606 2.140 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)O[C@H]2CON(S(=O)(=O)CCC(F)(F)F)C2)c1 1854947712 QOXMYFYUWUCWBI-LLVKDONJSA-N 426.800 2.461 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cc(F)c(F)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855740030 MHIIDTSJCYJXIC-LLVKDONJSA-N 437.399 2.037 30 10 IEEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)CC1 1856146022 DIYLIUOJEQHTEL-OAHLLOKOSA-N 439.484 2.297 30 10 IEEE COc1cccc(CC(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)c1 1857142236 MQZOBEXMZCNOTM-OAHLLOKOSA-N 427.482 2.107 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC(C)C)c(C(=O)O)cc2=O)nc1C 1857883494 MYGZWGPFNHDRSF-UHFFFAOYSA-N 449.485 2.328 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN(C)C)cc1OC 1862564278 WNVYPLNLVRPJLB-FQEVSTJZSA-N 425.485 2.426 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862737845 MSQRUIIUCMMMOJ-PIGZYNQJSA-N 427.369 2.462 30 10 IEEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2nc[nH]c2c1 1869928229 DFCKFZYUKRYJDJ-HNNXBMFYSA-N 429.527 2.362 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004670 HIOIBPORTDEKOG-CQSZACIVSA-N 437.472 2.347 30 10 IEEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1870150738 IASMEERFUKYHEY-LBPRGKRZSA-N 431.294 2.405 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870708211 YVEZOGHSISQAOJ-UHFFFAOYSA-N 438.528 2.058 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(N(C)C)cc1 1874289829 YWCZNOGYWVXXGR-FSJBWODESA-N 440.529 2.391 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc(F)c1 1874436020 IATWYXKOYCXOSW-BRJLIKDPSA-N 440.504 2.344 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3c(F)c(F)cc(F)c3F)CC2)CC1 1890584874 MTQZQQQZVHFGTD-UHFFFAOYSA-N 427.442 2.115 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900474848 LVRAMFYTJXDBKJ-LBPRGKRZSA-N 425.360 2.333 30 10 IEEE CC1(C)OB(c2ccoc2CNCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2039817008 ANQMABVETKQKPU-UHFFFAOYSA-N 425.382 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CO)C1 2044525105 JSEGDFRYROSUJZ-LJQANCHMSA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]12 2060637045 FZQVBITVSRZCPF-QTCYRWPVSA-N 430.314 2.018 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243422555 HPDIEGQZHSIGSZ-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE CC1(C)OB(c2sccc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247859032 JULLSLBKZBRABK-UHFFFAOYSA-N 428.363 2.024 30 10 IEEE C=CC1(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247917160 AAJQFUFRHKRRGH-UHFFFAOYSA-N 435.355 2.348 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917351 BLFQVGWQQMPXGA-OSAQELSMSA-N 435.355 2.180 30 10 IEEE COC(=O)[C@H](CCNC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247945083 VJQNPEJLJMDHOS-IHRRRGAJSA-N 426.319 2.041 30 10 IEEE Cc1nc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255645670 IUANKOIORSJGQK-WDNDVIMCSA-N 449.382 2.346 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255807777 ATLDAZNWJNYMID-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851555 RWRMUBRGJGDSPO-RYUDHWBXSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2256615627 VYHUMPKMKHEPPY-ZDUSSCGKSA-N 442.268 2.088 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cn(CC)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267180619 GSHPEQLKPWREPP-UHFFFAOYSA-N 448.373 2.284 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267183136 LLBVYSQKIFBMIQ-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2267606821 DICBMAAPUORUOQ-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2268641250 AHGNWOUGVQCGHU-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[nH][nH]1 2268643326 IECGTOJHHPFGOT-UHFFFAOYSA-N 447.276 2.264 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccco1 2297740748 IJEBVJQOOWKORP-LJQANCHMSA-N 441.440 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2301386994 FUIWHWBHPXLESB-LSDHHAIUSA-N 439.749 2.426 30 10 IEEE COC(=O)c1ccc(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)cc1 2329898786 MXFJGQMRAMWFKT-UHFFFAOYSA-N 425.470 2.103 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC 2352340335 YFKKQOVYHYFDKB-BRWVUGGUSA-N 427.339 2.289 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1(C)C 2352397160 GGQLKBNESHLCIB-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE CC(C)(C#C[C@H](NN)c1ccc(Cl)cc1I)S(C)(=O)=O 2365716684 COXKLSDXXGTALZ-LBPRGKRZSA-N 426.707 2.276 30 10 IEEE CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295174 PXQAMZRYVPKALR-HXUWFJFHSA-N 442.541 2.290 30 10 IEEE CC(C)CN1CCC2(CC1)NC(=O)N(CC(=O)Nc1sc3c(c1C#N)CCC3)C2=O 96547000 OASSZKOETASVGV-UHFFFAOYSA-N 429.546 2.089 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1)[C@@H]1CCCO1 254491813 ZQQMDVTXFHNMRT-HZSPNIEDSA-N 445.360 2.230 30 10 IEEE CCOc1cccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 433795120 BWPJUCLADGGUID-UHFFFAOYSA-N 442.541 2.216 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 435323460 MTZOGNNOYMRQOL-UHFFFAOYSA-N 440.298 2.117 30 10 IEEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1C#N 460610977 ZGTYPQZXXUDQHC-UHFFFAOYSA-N 428.297 2.468 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] 469750078 BMCCJOHCXHIQMW-OAQYLSRUSA-N 441.444 2.012 30 10 IEEE CC(C)(C#N)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 476487023 WHWOPHFXSBMIDV-UHFFFAOYSA-N 429.498 2.467 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)n(C2CC2)c1=O 505689031 DHULENILQNMZJR-UHFFFAOYSA-N 444.438 2.383 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(Cc2nc(COC)no2)CC1 508918026 DHSKPBDRIYNNBJ-UHFFFAOYSA-N 448.531 2.474 30 10 IEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2ccnc(C)n2)CC1 508930362 LCDNGRBNQOMOGN-UHFFFAOYSA-N 429.488 2.205 30 10 IEEE CCCCC(=O)N1CSC[C@H]1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 518299082 YPLFFNBGTLCWOB-SJORKVTESA-N 432.571 2.490 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 523181035 SROQECBQNCZRQV-HNNXBMFYSA-N 432.492 2.485 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 533177935 NEIJFKOBZBXQRO-UHFFFAOYSA-N 433.555 2.271 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)cc2)nc1 538326004 IEHKQYVUHQILAD-UTKZUKDTSA-N 427.482 2.212 30 10 IEEE CN(C)c1nc(O)cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 545205639 DHSOIWVYUNGHJS-MRXNPFEDSA-N 445.321 2.033 30 10 IEEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 558979107 JQZXDALWOKVCEM-UHFFFAOYSA-N 433.560 2.450 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)CC2)o1 563489051 QCWDMENITNZNHV-QRWLVFNGSA-N 427.480 2.104 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1Cc1ccccc1 576775370 FYIXCVFKZLGERF-UHFFFAOYSA-N 449.479 2.287 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)c2C)nn1 591662277 NYIHVNLNLXOKMY-FQEVSTJZSA-N 431.500 2.392 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CCC(=O)N2C)cc1 609658914 IJZHGNRQQDQOLU-UNMCSNQZSA-N 433.512 2.220 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)Nc3cnn(CCN(C)C)c3)c(C#N)c2N)cc1 610478038 GFYQHPBKHNYXKV-UHFFFAOYSA-N 435.536 2.147 30 10 IEEE CN1C(=O)N(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C(=O)C12CCCCC2 612623827 IOAYLMRNPFUIIX-LJQANCHMSA-N 441.507 2.131 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)N(C)Cc4ccccc4)CC3)cc2C1=O 614276072 GNRJSZWZFBSELA-UHFFFAOYSA-N 446.507 2.478 30 10 IEEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1=O 619666763 DLUQMWMWMYGFHF-GTNSWQLSSA-N 425.367 2.299 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc3ccccc23)CC1 733149756 QDGKZPVBAQBKNL-UHFFFAOYSA-N 428.330 2.500 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 749507218 KLGUPCZEBNQLSF-HXUWFJFHSA-N 435.499 2.367 30 10 IEEE CN(Cc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)OC(C)(C)C 749647964 VYZPGZGFASTVIU-SFHVURJKSA-N 441.532 2.191 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2c(C)noc2C)C1=O 754017368 KPRDIMXPVXGFBY-QGZVFWFLSA-N 443.529 2.091 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(-c3ccccc3)c2C)c1=O 758054490 MLXBUWYLLSLRIK-UHFFFAOYSA-N 442.544 2.218 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@]2(C1)OCc1ccccc12 774107416 VJCBEPZPXMZKMT-QFIPXVFZSA-N 425.510 2.163 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 787849157 SBGOWVFEQFYGLX-QGZVFWFLSA-N 444.351 2.138 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)n1 790104571 RAPAFAXSLSPPQH-GMAHTHKFSA-N 438.528 2.110 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)sc2nccn12 790835362 HQCNZQBMSUDHHG-UHFFFAOYSA-N 425.289 2.457 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC2CCN(C(=O)OC)CC2)C1=O 795176616 JLBLCDWHUFOTDQ-MRXNPFEDSA-N 436.509 2.372 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)[C@H]1CCCN1CC(F)(F)F 813095557 WNIFORBCFOVRIR-LLVKDONJSA-N 429.342 2.409 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)n1 856674461 LGLVYOPARJJUOB-HXOBKFHXSA-N 441.532 2.345 30 10 IEEE Cc1ccc(O[C@H]2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)nc1 858060875 ZIBCWXFPVBMPHJ-OALUTQOASA-N 433.468 2.147 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)OCCCc2nc(-c3ccncc3)no2)cc1 913261192 DHCHMGZWXVCQPU-UHFFFAOYSA-N 428.470 2.386 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)N3CCCC[C@@H]3C)n[nH]2)c([N+](=O)[O-])cc1O 1083960954 WXVWUIDYKOWIOO-NSHDSACASA-N 449.493 2.366 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)OC/C=C/c3ccccc3)n[nH]2)cn1 1084270343 VUUVARQLLDNIDX-ITAASZMISA-N 441.517 2.442 30 10 IEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1 1084326304 RRSAVLRDUJBIMX-UHFFFAOYSA-N 443.508 2.384 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)cc1 1084394184 FRQGGMXIIMAWTJ-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c(F)c1 1084594864 MIXFLDXOFVTJOL-UHFFFAOYSA-N 446.512 2.235 30 10 IEEE COC(=O)c1cnc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)s1 1134664104 HJFFWONKHMUVCP-LBPRGKRZSA-N 432.889 2.167 30 10 IEEE Cc1ccc(C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1B1OC(C)(C)C(C)(C)O1 1141418552 XTRHJCNUARDCGL-UHFFFAOYSA-N 449.360 2.478 30 10 IEEE C=CCN(CCc1ccco1)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1168578715 DWMHZYZQSTYKLW-SFHVURJKSA-N 447.557 2.358 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2ccc(COC)o2)s1 1178406281 MOCHNIYZBOHNPZ-INIZCTEOSA-N 440.543 2.094 30 10 IEEE COC(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1197657534 CCMVPSOYFAEOEW-INIZCTEOSA-N 425.489 2.343 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(Cc2nc(COC)no2)CC1)c1ccc(Br)cc1 1252458496 KVMVWTIRMUQONC-MRXNPFEDSA-N 448.321 2.180 30 10 IEEE Cn1cccc1C(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1252506087 BNKMHMQQEFZQDF-UHFFFAOYSA-N 434.544 2.029 30 10 IEEE C#CCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 1264565085 PXARCMRFKRNZBR-UHFFFAOYSA-N 434.452 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1occc1C 1286287696 CGZGZPBGVLFXFJ-HNNXBMFYSA-N 438.488 2.185 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286390977 BDPOZYGVRFWXPG-SFHVURJKSA-N 446.573 2.313 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1286401935 WCZUHKSPVAMGTQ-AREMUKBSSA-N 447.583 2.102 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1C 1286408710 KJNVKKQETCLWNB-MOPGFXCFSA-N 444.539 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC2CCCC2)nc1 1286429063 GTGKFCAOMQLETK-HXUWFJFHSA-N 432.528 2.457 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1coc(-c2cccs2)n1 1286468605 CDVUHAMOOPLVEW-UHFFFAOYSA-N 440.529 2.251 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCOC2)CC1 1286491348 NYHMKCAFOGRXCO-SFHVURJKSA-N 439.535 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1286814368 QUUMKBXKRFPWQX-LJQANCHMSA-N 445.589 2.319 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300488230 CAZVHQHASLXLEN-MOPGFXCFSA-N 428.558 2.387 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300496686 TZKWOUUDZWVAPC-IAGOWNOFSA-N 434.949 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)OC 1300575182 SPLOVAPZYCQZEH-UHFFFAOYSA-N 428.562 2.126 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1300719023 LMYSUJGHRWPICC-UGKGYDQZSA-N 446.555 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccncc2Cl)CC1 1300719757 OZQHLUXLJCWTMU-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300767451 YNANMXPXVXJZBQ-INIZCTEOSA-N 445.618 2.041 30 10 IEEE C=C(C)COCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1301001931 PZRXEXOXYPINJT-MSYCTHLASA-N 447.580 2.159 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301248696 JVFXZKXNDUBVIF-LJQANCHMSA-N 437.552 2.453 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1301298085 YHTDUHZDYQOINP-IIBYNOLFSA-N 437.541 2.014 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)NC)c2)C1 1301567352 VWZRHCNTVYMHQX-NRFANRHFSA-N 449.559 2.329 30 10 IEEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1303572261 ANCOSYNXGNDJIB-UHFFFAOYSA-N 442.564 2.047 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cc(C(C)(C)C)no1 1303827464 HHMQQPCBGGZILC-CQSZACIVSA-N 449.581 2.352 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)C[C@H]1CS(=O)(=O)C2 1304001333 BQFWADQPRLLYRB-FVMDXXJSSA-N 426.267 2.080 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccc(C3(C)OCCO3)cc2)C1 1312468335 DLQJNVYFWSJCDQ-WMZOPIPTSA-N 430.505 2.464 30 10 IEEE CCOC(=O)C1=CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1313012149 XUHOEXSNGHSQHJ-HNNXBMFYSA-N 425.445 2.290 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1313585488 HVUCYUXYDOPJIB-MRXNPFEDSA-N 428.543 2.335 30 10 IEEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1314916455 HWWPRFMGNSPHIR-UHFFFAOYSA-N 444.421 2.341 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)c1C#N 1324451222 GUDRGMYHQUPWCS-AEFFLSMTSA-N 430.553 2.332 30 10 IEEE N#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1Br 1352746208 GSMBVIKKAPWXHD-KBPBESRZSA-N 427.320 2.129 30 10 IEEE C=CCOc1ccccc1CN(C(=O)C1(OC)CS(=O)(=O)C1)c1ccc2c(c1)OCO2 1353965562 JQLMSZJFFBGBJZ-UHFFFAOYSA-N 445.493 2.327 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OCC)c(OC)c1 1358937405 UHLWIHIEFSVYIE-UHFFFAOYSA-N 427.505 2.048 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CC1 1359015500 VXESHWBURRXZNV-WJOKGBTCSA-N 443.548 2.204 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccsc2)CC1 1359031341 YOMJRPAEQJVHND-QFIPXVFZSA-N 429.590 2.378 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359099246 LKVNQAIGZVKOOD-YRXWBPOGSA-N 438.594 2.167 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCOCC1 1359230155 IARZXFYSEIIFFS-UHFFFAOYSA-N 447.543 2.428 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359294232 OLCPVAXOXJKYEX-OXJNMPFZSA-N 441.532 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)C1 1359321457 GKTHLASISOETGF-JKSUJKDBSA-N 437.591 2.083 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)C1 1359322055 PBAZKEOFDQTBBU-UXHICEINSA-N 446.573 2.156 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC(C)C)CCO1 1359447589 YGXGTZMLVOFACH-NRFANRHFSA-N 440.548 2.363 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 1438151659 HBRKAEFCQNSCNG-SFHVURJKSA-N 433.574 2.230 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)c1 1449343756 ZHFKGDXJTRBUAI-UHFFFAOYSA-N 435.523 2.289 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](NC2CCOCC2)C1 1464864206 GAJQGEMZCOERHT-MRXNPFEDSA-N 428.352 2.242 30 10 IEEE CN(CCN(C)C(=O)c1[nH]c2ccccc2c1C#N)CCN1C(=O)c2ccccc2C1=O 1468607657 MDANANKWYAJTOG-UHFFFAOYSA-N 429.480 2.340 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)ccc1F 1472385361 SZVYGDNFGIENOU-UHFFFAOYSA-N 427.498 2.029 30 10 IEEE CN(C)CC#CCNC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1479292891 GHFBKFCUTAZBFZ-UHFFFAOYSA-N 443.592 2.104 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1499879126 LCTSTORGYFQVPG-YADARESESA-N 449.559 2.180 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N 1505013911 ZWZIWXUSCQPRHH-FUHWJXTLSA-N 426.521 2.350 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1507626473 AKOZCGULRIUTIY-GOSISDBHSA-N 445.589 2.117 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1507651760 TUVMABSRNSGVSM-XMMPIXPASA-N 440.551 2.410 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1507684698 GXRXXDKFUZRJAR-UHFFFAOYSA-N 432.546 2.247 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1507700212 OMGJEHOBBRUHOB-SFHVURJKSA-N 440.523 2.110 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccc(F)cc2)CC1 1507727424 POMZHWITMKGNHE-UHFFFAOYSA-N 438.551 2.273 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCC)CC1 1507729515 HVTLIUKYMRSJRX-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507768456 QRDVHUWSPOWIQR-SQGPQFPESA-N 441.498 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1507773057 OVGYMOOSQDJNDL-DENIHFKCSA-N 428.558 2.367 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1507883332 YDJHABCYHXXCEB-UHFFFAOYSA-N 429.525 2.129 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1507916674 SQYJXQCSEJKQRS-QGZVFWFLSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507937292 RWTLEYHUTZXAOW-SFHVURJKSA-N 425.537 2.050 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1ccnn1 1509222770 FFMIYLBYLRIZRA-UHFFFAOYSA-N 433.564 2.352 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1512584265 AFCIZKCCWCLZMK-JKSUJKDBSA-N 438.561 2.321 30 10 IEEE COc1ccc(CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(Br)c1 1523979485 HYKWPUBIIAYSCO-UHFFFAOYSA-N 434.294 2.460 30 10 IEEE N#CCOc1cccc(OC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 1525228926 ZFAFABFIYXPSJP-QGZVFWFLSA-N 442.449 2.132 30 10 IEEE N#Cc1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)c1Br 1529972188 UUUDKETXRLQBGX-CYBMUJFWSA-N 426.361 2.411 30 10 IEEE COC(=O)CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 1531860183 BXQYVINFRJADIY-UHFFFAOYSA-N 447.557 2.293 30 10 IEEE C#CC[C@@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)C1 1533635967 YRRAWIJABZZNPS-QGZVFWFLSA-N 430.574 2.408 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCC3(n4cc(Br)cn4)CC3)CC2=O)cc1 1534358437 XSTKJMDVNRSWAS-CQSZACIVSA-N 428.290 2.176 30 10 IEEE CC1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC2(CC1)OCCO2 1537143568 MTHBEUFJXVFSBL-SFHVURJKSA-N 440.500 2.203 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1539045099 POPCIHPCAUKDOA-INIZCTEOSA-N 446.577 2.065 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)CC1 1539436370 PVTNIKNISUTSOL-HXUWFJFHSA-N 436.343 2.159 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2ccccc2OC)CC1 1539453176 FZLTUMSEKUWBHY-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NCC)CC1 1539786980 DJKMHJDBZQDMTQ-UHFFFAOYSA-N 432.912 2.320 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540869186 DZCXHZFRGQGWLR-HNNXBMFYSA-N 437.470 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1540897886 UXQGXNUBKQEZPN-MRXNPFEDSA-N 449.552 2.385 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1547080429 LSDVURIGYVMGME-ICSRJNTNSA-N 438.532 2.260 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1554164920 BSKNBBIQXUARMS-RBUKOAKNSA-N 429.546 2.115 30 10 IEEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CC[C@@](C)(C#N)C2)cc1 1557619378 ASCFKUQBXKXMQX-HKUYNNGSSA-N 425.576 2.247 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 1557755933 KVYGGXCLRYWCES-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(C(C)(C)CO)CC1 1567081350 LVPDWCCHAQMZQB-FQEVSTJZSA-N 442.560 2.308 30 10 IEEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](CC(F)(F)F)O1 1585359164 UAIDFISAKHHKOE-CHWSQXEVSA-N 433.452 2.074 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCC 1587580236 OGIDGBQATZDBFZ-IERDGZPVSA-N 433.578 2.204 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2nncn2CC)c1 1587692722 JKFZMOWNBDBXCY-IBGZPJMESA-N 448.531 2.236 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1587773555 NMUSGZCRQJUQJX-UHFFFAOYSA-N 426.540 2.022 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCN1CC 1587921900 MASSAHURQPQYEW-SFHVURJKSA-N 443.621 2.490 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1588040794 QRTGSWCJIOXHIH-IEBWSBKVSA-N 446.598 2.476 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588046040 WBWPCJYDXUMPRV-HZPDHXFCSA-N 434.949 2.262 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1588049529 HYCYRJWVLUKMSU-QGZVFWFLSA-N 431.562 2.107 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCn2cc(Br)cn2)CC1 1588791462 VUFPUDUKJVXATB-UHFFFAOYSA-N 440.349 2.360 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1595593584 GOCJSLUSOMKXTH-HNNXBMFYSA-N 448.593 2.449 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 1596382471 LUCPCJHWPWDKKE-FYYLOGMGSA-N 440.565 2.096 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1596752449 UMOKMQYUROETTG-FQEVSTJZSA-N 426.521 2.116 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCc3nccn3C2)CCOC1 1596791300 QLUSPBLZZYCFCG-FGSXEWAUSA-N 427.553 2.374 30 10 IEEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1612787231 CRROWIWAEKRYPG-WMZOPIPTSA-N 428.562 2.335 30 10 IEEE N#Cc1cc2c(n(CC(=O)NCCOc3ccccc3)c1=O)CCN(Cc1ccccc1)C2 1614740896 VOTUPTWFOLETPA-UHFFFAOYSA-N 442.519 2.473 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)s1 1615729837 QRNKLRFXKVKLEP-QGZVFWFLSA-N 435.571 2.358 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1620053566 PXRSIPUCYPBTPM-QZTJIDSGSA-N 433.459 2.483 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1625650969 XFZFOMZCDNKFHF-NHCUHLMSSA-N 425.526 2.390 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1627015780 ZYIHJBAHZOUCOD-GOSISDBHSA-N 442.560 2.170 30 10 IEEE C=C(C)CONC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1628314785 ZJGVKVYLNWGCBW-AWEZNQCLSA-N 437.381 2.473 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CC1 1628786470 FUAADMQYVWIGGQ-UHFFFAOYSA-N 438.963 2.468 30 10 IEEE C#CCN(C(=O)NCCOCC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 1635381960 ZUCYWNGUFYYLEY-INIZCTEOSA-N 439.306 2.497 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1635415669 NDSWTJVOHGOYKY-SFHVURJKSA-N 427.530 2.357 30 10 IEEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCC1 1639708073 BKRAKVCXUJWPII-UHFFFAOYSA-N 433.530 2.059 30 10 IEEE Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc2cc(S(N)(=O)=O)ccc21 1640689710 YMHGKTDNKUFRAV-UHFFFAOYSA-N 435.918 2.477 30 10 IEEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1640785540 AIABHXHDJXJLNJ-GOSISDBHSA-N 427.505 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)C(=O)C1 1641564072 CPUNHRFCSOHRKV-UHFFFAOYSA-N 441.532 2.040 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC(c3nccc(-c4ccccc4OC)n3)CC2)CC1 1644008005 YORDRGXDQYEGAN-UHFFFAOYSA-N 433.556 2.109 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)c1ccc(F)cc1F 1644939790 MQGDCSQBSTYOHU-NSHDSACASA-N 429.395 2.411 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ncccn1)C1CC1 1646125291 JKBRLNFSLMEVST-IBGZPJMESA-N 427.530 2.343 30 10 IEEE N#Cc1cnnc(N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 1650893402 GMEPRHAXJMMBOA-UHFFFAOYSA-N 428.337 2.073 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(O)Cc1cccc2ccccc12 1654826497 XMTWVCJPJLRQEL-CQSZACIVSA-N 427.482 2.024 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)n(Cc2ccc(F)cc2)c1C 1655116892 QPRCBNORVNUWGR-RBUKOAKNSA-N 428.508 2.025 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1656404600 GLDKXJYDDXROGC-RBUKOAKNSA-N 438.546 2.462 30 10 IEEE C#CCC[C@H](O)CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1661615226 ZGMDHRQNFWXTNM-RJGXRXQPSA-N 430.545 2.487 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)n1 1662220797 IQGKZKYGEINFHZ-LJQANCHMSA-N 438.488 2.032 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)C2=O)cc1 1671575977 ASVMIQUPVKIIKU-PMACEKPBSA-N 438.509 2.023 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(OC)c(OC)cc1Br 1671750770 CIGLMJCTTKPYBO-UHFFFAOYSA-N 431.352 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)NCC3(C#N)CCCC3)C2)C(=O)C1 1686944982 KJDDTQKBVJLENP-QGZVFWFLSA-N 433.553 2.324 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1690077757 WCRVWNXYLTVNLY-SFHVURJKSA-N 443.573 2.404 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2csc(C(C)C)n2)CC1 1690109605 XSBLKKWEKUHMMS-UHFFFAOYSA-N 441.605 2.092 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690247697 DPJRYEZPZLUXLT-PXNSSMCTSA-N 439.626 2.318 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1690301128 PRWPSOSDMDXULN-XSLAGTTESA-N 425.599 2.496 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2F)CC1 1690375156 BKNJNMRZDFAIKS-LJQANCHMSA-N 449.552 2.149 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)F 1690559164 AHPLJDBLAAQHJC-QGZVFWFLSA-N 430.459 2.228 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)C 1690571619 DELXXEIXNVPVKM-PXNSSMCTSA-N 431.512 2.422 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690643630 LGFZCMSESNAIDH-GOSISDBHSA-N 431.562 2.177 30 10 IEEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677014 KTKSOZDVDCCKBV-JOCHJYFZSA-N 435.569 2.015 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690677088 MNZFNJXNPWRYDC-FQEVSTJZSA-N 448.980 2.228 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690677089 MNZFNJXNPWRYDC-HXUWFJFHSA-N 448.980 2.228 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1690677228 ROYHPUTVVWBXCQ-UHFFFAOYSA-N 441.458 2.174 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690681754 ZQBJADNYPIBHMA-QZTJIDSGSA-N 441.488 2.144 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)C1 1690712400 VDSSXAPBRMOEDT-AZUAARDMSA-N 442.564 2.264 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1691477245 LFROYKWDLLSOKJ-GOSISDBHSA-N 433.516 2.384 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCSCCCO 1692219137 PYKCBEXMHRBGAM-UHFFFAOYSA-N 429.594 2.185 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1noc2c1CCCC2 1692672217 DXUQHJVNYYSCHY-OAHLLOKOSA-N 449.515 2.344 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1696295985 HEXBPHMBPZBWGW-LEWJYISDSA-N 441.532 2.274 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCCN1CC 1696332423 PDLHHBDDEOAKPF-FQEVSTJZSA-N 438.580 2.282 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCO1 1698153559 ODJNXLTYMKVXGQ-QAPCUYQASA-N 442.520 2.106 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCCCCCO)cc1 1698489063 LMTYKAFPTWPBMI-RTBURBONSA-N 441.488 2.396 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705495511 RCUCHNLWRSAMDD-ZBFHGGJFSA-N 430.530 2.194 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)cc1 1705503773 DLLWARWEMGKJFW-HOJAQTOUSA-N 425.533 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCS(=O)(=O)C1 1705596218 XGRYOWZXXDYDEJ-GOSISDBHSA-N 449.536 2.498 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCS(=O)(=O)C1 1705629437 IMVWOIFVLRLYAS-LJQANCHMSA-N 430.574 2.088 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccc(C)c2)CC1 1705638137 AETCKIJMWHCUTM-UHFFFAOYSA-N 443.555 2.142 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1705657188 WFCIQPBZMGLUDU-UHFFFAOYSA-N 445.545 2.217 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)C(=O)C1 1705803564 VBAHKZZGJWPHHQ-UHFFFAOYSA-N 427.505 2.325 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OC)C1 1705826700 GPAFDPPOOFMJLN-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1705843327 CATGNXDYXMFPBS-CQSZACIVSA-N 445.467 2.187 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705897346 LBOCJYHQHCADLI-OAHLLOKOSA-N 446.502 2.334 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709451839 WSBJWNQQIPOYSI-QHCPKHFHSA-N 433.516 2.350 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1710295421 HOUZESIIYLAMRG-CTNGQTDRSA-N 429.613 2.186 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1711015942 UHPWGNCNLZUUCL-FQEVSTJZSA-N 434.548 2.122 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1711233352 URMMQAXOTJKTNW-SFHVURJKSA-N 429.546 2.114 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1711409343 DDARLFJMGHBSQN-IAGOWNOFSA-N 437.548 2.482 30 10 IEEE COc1cccc(O[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1711935298 HKTJEXFUEBERQE-ZHRRBRCNSA-N 442.495 2.432 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCCC1 1722350156 OBNGIJMJMRZIMS-UHFFFAOYSA-N 430.578 2.393 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722366528 RKFGADFFIIOBDW-MSOLQXFVSA-N 432.571 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCO[C@@H]1C(C)C 1722387419 VIVJLVCMQYIRLG-YLJYHZDGSA-N 425.558 2.404 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)C1 1722492976 HQIAFIPVPUCJAM-VQIMIIECSA-N 426.477 2.113 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C1CCCC1 1722696713 DEWZMAXEUFTKIX-UHFFFAOYSA-N 445.593 2.309 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722707204 JEGXYJTZQIQAAI-NRFANRHFSA-N 448.527 2.295 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1coc(-c2cccs2)n1 1723909831 CNVMGZWNTIKUTJ-STQMWFEESA-N 449.562 2.391 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1740597774 YNCCGEYERKUDLK-RDPSFJRHSA-N 445.608 2.422 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(C)CC2)nc1 1740629314 JAZQQHZUGKIGFW-UHFFFAOYSA-N 445.571 2.267 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCO[C@@H](C)C1 1740684666 YEDILOBIXJWMLN-IRXDYDNUSA-N 436.516 2.495 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)CN2CCCC2)CC1 1740691500 GEKQTENKNRBOGY-SFHVURJKSA-N 427.984 2.481 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1740699891 XKONVQSYOSCBCC-UHFFFAOYSA-N 430.459 2.113 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CCc2nc(C(F)(F)F)cs2)CC1 1740700103 GDYDVSBFWOIQIF-UHFFFAOYSA-N 428.484 2.288 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740762650 VHRBIWVTIYKKBD-RXVVDRJESA-N 432.613 2.058 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1c(OC)cc(OC)cc1OC 1740890192 VIPGAWFAALAVLK-UHFFFAOYSA-N 429.521 2.405 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1741994415 HBOVHTQEQMBRMQ-PGRDOPGGSA-N 443.573 2.381 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCN1C1CC1 1747995061 GPRDIXMYOYHNFW-HXUWFJFHSA-N 442.589 2.314 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1748000851 OXNPXTPGQRALGC-UHFFFAOYSA-N 433.534 2.188 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](OC)C2CC2)cc(OC)c1OC 1748524063 FIWGBADLAFHANI-QFBILLFUSA-N 443.504 2.125 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748960356 ISVNIYOFJDTURV-QGZVFWFLSA-N 429.487 2.285 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1749068083 CIOBVZJXMFWNIA-SIKLNZKXSA-N 442.541 2.384 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1749114636 DRIPJZVRZQWUGS-RBUKOAKNSA-N 440.548 2.133 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](CC)C1 1749739340 AQSYZVGWJBLWEG-INIZCTEOSA-N 438.525 2.212 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)C1 1750380454 ROGZWUUGTOITIU-AVRDEDQJSA-N 426.496 2.321 30 10 IEEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CCS1 1750675657 DSKLDOLUCVMBRD-DENIHFKCSA-N 426.590 2.461 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1760155144 REXINULVAPTTLK-PMACEKPBSA-N 430.574 2.462 30 10 IEEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1760169879 GZXYRZYZTOIAGP-UHFFFAOYSA-N 428.562 2.178 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1760191180 CFAUPNHHZNGXBC-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1CCCO 1760241783 JOHIKDDXRGNWTQ-RBBKRZOGSA-N 441.551 2.408 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN(C(C)=O)C1 1760246792 CXLXODFCVDWAOS-KRWDZBQOSA-N 430.940 2.338 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760280013 GXYJVHXDBLXTPY-OAHLLOKOSA-N 445.545 2.389 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760306177 DAVSJBKFSMKIGC-KGLIPLIRSA-N 439.314 2.350 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1760316962 YWCPNVRAAVZPHZ-GIWBLDEGSA-N 441.576 2.130 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(COC)CC1 1760553645 XTRYSALTFDAQSJ-UHFFFAOYSA-N 429.546 2.280 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccn(Cc2ccccc2)n1 1761217430 PYPKBEXUNSUVPD-QFIPXVFZSA-N 436.495 2.151 30 10 IEEE Cc1cnn(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)c1 1762194294 DOKJUVXEAHLNJH-GOSISDBHSA-N 427.896 2.444 30 10 IEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)OC 1765553593 DSBCJBPOJVHISK-IBGZPJMESA-N 433.516 2.288 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 1766959197 FQHXQCYPMHEXEY-UHFFFAOYSA-N 442.467 2.239 30 10 IEEE COCCCN(c1nnc(C2CCC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1769710407 OBBLFCLQRDCAHV-MRXNPFEDSA-N 433.534 2.089 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)ON1C(=O)c2ccccc2C1=O 1772792132 HHDCKJKFGHHYEE-SNVBAGLBSA-N 442.371 2.127 30 10 IEEE C=CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 1852655085 UOACZXIRSJCEDK-OAQYLSRUSA-N 431.533 2.046 30 10 IEEE C=CCN(Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)c1cn(C[C@@H]2CCOC2)nn1 1853577547 HRTXEZQYYPBIRW-SFHVURJKSA-N 432.546 2.325 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCCC2 1853677836 WLKKYZLDBYFMJZ-KRWDZBQOSA-N 430.574 2.223 30 10 IEEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21 1853698483 DIJDMMHSSXWRNH-INIZCTEOSA-N 432.546 2.120 30 10 IEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)C(C)(C)C2=O)cc1 1854453395 PLGNFZYPLIGUOH-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE CC(C)CS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1855611245 QKTLUIGWWCQBGH-HXUWFJFHSA-N 431.558 2.174 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 1862755946 HWORADRRCJTACD-LJQANCHMSA-N 440.408 2.327 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(OC)c(O)c1 1864188252 WLFHOGFRDQXUCD-IBGZPJMESA-N 433.468 2.287 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1Cl 1868136699 HUVLGVSKMZZMQT-UHFFFAOYSA-N 435.889 2.139 30 10 IEEE CCN(CC)CCCNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931684 DSWXBXIBCAKGCQ-FQEVSTJZSA-N 442.585 2.185 30 10 IEEE CCN(CC)CCCCNC(=O)[C@H](CCSC)N=C1NS(=O)(=O)c2ccccc21 1869933925 RSRFRVTXPPBTKG-KRWDZBQOSA-N 440.635 2.085 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCN1CCOCC1)n2CCC 1873573043 DHGWMPHBBPPQGK-UHFFFAOYSA-N 426.565 2.472 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1 1874303555 FBQXKCIWOQPMBB-SSDVNMTOSA-N 427.486 2.138 30 10 IEEE Cc1c(Br)cc(C(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)c(=O)n1C 1889983572 FLVSRYMSHDLBIC-UHFFFAOYSA-N 444.333 2.464 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(C)cc3C)CC2)CC1 1890199615 KUGXQVUFYUIATF-UHFFFAOYSA-N 427.589 2.331 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)COc2c(F)c(F)c(F)c(F)c2F)C1 1892021630 VMANACCQFBHJCJ-SECBINFHSA-N 428.317 2.493 30 10 IEEE C[C@@H]1COC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N1C(=O)OC(C)(C)C 1908277010 VLBYQMJYWNPMFH-MISYRCLQSA-N 428.533 2.247 30 10 IEEE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1990493289 ADUVKUKXQJFATR-HZPDHXFCSA-N 425.574 2.309 30 10 IEEE C=C[C@]1(CO)COCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2022246807 ONUJDVASRGSNAS-GWJPWWOOSA-N 434.533 2.261 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2023133575 SWNLDTGIBPHAJE-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2060625941 QDSFNIICTCHYOW-FTHKGJPHSA-N 436.358 2.203 30 10 IEEE O=C(CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccc[nH]3)C=CC1=C2)ON1C(=O)CCC1=O 2069666735 CRGDXALGAHKHRS-UHFFFAOYSA-N 426.188 2.005 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)OC1(C)C 2139653144 GSWQWTFMWAUASB-VQTJNVASSA-N 436.365 2.256 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674070 DZIWDAYETSIOIR-GFCCVEGCSA-N 425.360 2.219 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 2247536776 YDXDZIFPYHTTNZ-PNBPBRNGSA-N 431.455 2.351 30 10 IEEE CC(C)(C)OC(=O)N(CCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255626334 FEVTVWJJFCRUTN-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267091221 HNPKUUQFYMXROL-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267132692 SGZOLJPQAVZHNC-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2267138019 RSTCJGAZWOVGNA-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267200344 VTPOPVFGBPEOIB-GOSISDBHSA-N 438.381 2.456 30 10 IEEE C[C@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267270297 KPQWRVOPDPMINV-INIZCTEOSA-N 448.369 2.334 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC(NC(=O)OC(C)(C)C)C1 2267516327 CDCLAEDGCBSSFK-UHFFFAOYSA-N 448.373 2.235 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267520606 NMMCJZJECSVROQ-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2267522858 ZBPASPNCTCGQNG-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267528370 RIQGBOCUAAAPLB-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2267539502 RARFBSPEJKZAMV-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267548801 VEZMZASFQLQZER-MRXNPFEDSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267607840 BOJNUGHUMMMUMY-LSDHHAIUSA-N 446.357 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267813507 QYNFMQYAORVAPJ-UHFFFAOYSA-N 448.325 2.316 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871684 CTRHFITZKBZXLR-AWEZNQCLSA-N 446.357 2.103 30 10 IEEE Cn1ncc([C@H](C#Cc2ccc(Br)cc2)NN)c1I 2278786110 LIRKDJMYZLHKJS-LBPRGKRZSA-N 431.075 2.343 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)n1 2315400748 YJNXZSTYZGSLAF-QFIPXVFZSA-N 433.358 2.473 30 10 IEEE CCOC[C@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2326114170 FUNOAXXQHLIMDG-AUSIDOKSSA-N 446.548 2.081 30 10 IEEE C=CC[C@]1(CO)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364187944 GSUDAPKNGYDUBK-QFIPXVFZSA-N 434.558 2.433 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 10748175 IAMSAPWCNYPQEJ-UHFFFAOYSA-N 445.497 2.149 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)c1 20527607 KDJBFMXDVACREN-WSDLNYQXSA-N 425.518 2.488 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1 20805921 SOKCICJYVGEGQM-SSDVNMTOSA-N 439.501 2.264 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1O 21316858 ZHXFVPGPHFWXFP-XIJPWPHISA-N 441.517 2.122 30 10 IEEE CC(C)CN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 29760432 XTALAHVALWCBAQ-OAHLLOKOSA-N 427.505 2.103 30 10 IEEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1OC 37857465 SRWQNXBPRSHUDR-HYARGMPZSA-N 440.496 2.136 30 10 IEEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3O)n2)o1 59830672 ONLPQYKXILJRHW-RGVLZGJSSA-N 430.494 2.043 30 10 IEEE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccccc1C(=O)N1CCOCC1 96570041 LJBAANIZQDFYPB-NMWGTECJSA-N 436.428 2.258 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc(S(N)(=O)=O)cc1C#N 301207999 ROZOJCILVONVBE-UHFFFAOYSA-N 437.319 2.352 30 10 IEEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460735800 WWBZJFFDEJEYKT-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 460788906 AVMGDKBNUUNRFL-INIZCTEOSA-N 433.520 2.423 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](c3ccc(F)cc3)c3ccn(C)n3)CC2)c1C#N 472067212 DSQOQXJCLOCKIA-FQEVSTJZSA-N 436.495 2.094 30 10 IEEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccn1 474200816 WEDZXZKDRBNSHU-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)CC1 503646490 XZJLTLCUSZZCIM-LJQANCHMSA-N 428.492 2.195 30 10 IEEE C=CCn1c(Cc2noc([C@@H](C)Oc3ccc(OC)cc3)n2)nnc1N1CCOCC1 547066891 VGIJPYLSVXJBLM-OAHLLOKOSA-N 426.477 2.423 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC1 549966966 YTBPVLVXJOJIQM-UHFFFAOYSA-N 447.568 2.351 30 10 IEEE CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H]1n1cccn1 564231879 RILUPFRUKBPWCT-XHSDSOJGSA-N 425.308 2.214 30 10 IEEE Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(C(=O)CC#N)CC2)ccc1F 577659845 CUUYNLHDGUZVII-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE C[C@H]1CN(Cc2csc(NC(=O)N3CCN(c4ncccc4C#N)CC3)n2)C[C@H](C)O1 603649157 LUKZDMGYTWDMQR-HOTGVXAUSA-N 441.561 2.373 30 10 IEEE COC[C@H](C)N=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1ccnn1C 727972555 WXWIYIRPWOVXOM-KBPBESRZSA-N 440.529 2.487 30 10 IEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c1C 728557762 RGQGHKLNLAHNOV-IBGZPJMESA-N 439.581 2.399 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccn(C)c2)C1=O 748095574 NXCMHAXDTBCZPW-GOSISDBHSA-N 431.537 2.364 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)ccc1F 766141597 HZHFLYWUFDGDGI-UHFFFAOYSA-N 438.481 2.037 30 10 IEEE C#CCN(C(=O)Nc1cnn(CC(=O)NC)c1)[C@H]1CCOc2ccc(Br)cc21 772463309 WTEGUTPMTRDHMS-INIZCTEOSA-N 446.305 2.383 30 10 IEEE C#CCNC(=O)CN1CCN(CCCC(=O)Nc2c(C)cc(Br)cc2C)CC1 782040324 DOKQOSUNKMVYDN-UHFFFAOYSA-N 449.393 2.152 30 10 IEEE CCc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1Cc1ccc(F)cc1 786267417 OALVXQFUYCTVIA-UHFFFAOYSA-N 427.461 2.159 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CCn2c(S)nnc2-c2cccs2)CC1 789890781 MEWQCTRCVPIJPE-UHFFFAOYSA-N 425.543 2.301 30 10 IEEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C[C@@H](CC#N)c3ccccc3)ncnc1-2 793441075 KLEAXAQYCDXUEI-CQSZACIVSA-N 442.321 2.115 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](COC(=O)[C@@H](C)n2cnc(C#N)n2)c2ccccc2)cc1 798746224 QACJKZQOYOQVCY-VQIMIIECSA-N 439.497 2.282 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CCCN(CC)S(C)(=O)=O)c1 803197226 YDYRMASWOCOZHI-UHFFFAOYSA-N 444.586 2.230 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1ccnc(C(F)(F)F)c1 808527754 NMISGQRCLMYHTB-LLVKDONJSA-N 441.387 2.065 30 10 IEEE C[C@H](F)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 814710255 ONVCKSVPJRRGLA-GUYCJALGSA-N 438.525 2.163 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cncn3)cc2)c(=O)n(-c2ccccc2)n1C 916961907 VWXNWPGVESSKIW-IBGZPJMESA-N 441.451 2.026 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)c2ccccc2C#N)ccc1NC(=O)C1=S=CC=C1 1116394654 IMEUUKCOMONWKO-UHFFFAOYSA-N 425.491 2.202 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1141805119 ZKBABNQHFJLUEH-AEFFLSMTSA-N 449.573 2.221 30 10 IEEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N(C2CC2)[C@@H](C)C#N)c(=O)n(-c2ccccc2)n1C 1165650183 GLZFAKJXUKTVAP-GOEBONIOSA-N 441.557 2.448 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1OC 1175932912 MXLZMIOLBIYCSS-WFNSPDMASA-N 429.561 2.186 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc2)CC1 1256517577 XAPAGRSVQLCQEB-RUZDIDTESA-N 446.599 2.400 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1286278483 OCQGRHMOKIDQFL-HZPDHXFCSA-N 447.609 2.067 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1286286315 WCFDYMMRIHEFGW-MRXNPFEDSA-N 438.557 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1286301934 AIFVPJCJLOAOQJ-QGZVFWFLSA-N 430.574 2.355 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1286383711 DRZZBGGOPSXDFD-FXAWDEMLSA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1286388025 KJHMMGGTKXGSKW-HXUWFJFHSA-N 439.541 2.036 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286390526 AODIBYVOIQNDDZ-LJQANCHMSA-N 430.578 2.158 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1286391449 IORCGQUCJWXHKA-CEXWTWQISA-N 431.537 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1 1286426263 PQUKDYTYUYLIQG-GCJKJVERSA-N 425.920 2.253 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1cnn(C)n1 1286436086 ULMPGZDQFZABDT-UHFFFAOYSA-N 440.939 2.082 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1nnc2n1CCCCC2 1286561430 FEJMMOLSVCEDNI-UHFFFAOYSA-N 426.569 2.477 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1286788191 RTEBEVNHZXMDIQ-KGGRTRCXSA-N 445.589 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286821271 FYOAEBNQATYXJQ-UHFFFAOYSA-N 435.569 2.293 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1286913019 RNZQQXGSWTXPBB-QGZVFWFLSA-N 448.474 2.463 30 10 IEEE C[C@H]1CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)C[C@@H](C)O1 1286959049 DBTPEBYZYNBPRV-OKZBNKHCSA-N 440.552 2.021 30 10 IEEE C[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(S(N)(=O)=O)c1 1290254883 DTXUJTGDJJMPNB-HNNXBMFYSA-N 435.546 2.162 30 10 IEEE CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1291497314 VYXVAHIDBFJCOY-SUMWQHHRSA-N 425.493 2.071 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1295144062 GUKWDGPENZHPJV-WZONZLPQSA-N 436.516 2.303 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1299683122 DEJCTBHOAQWIKD-KSSFIOAISA-N 426.521 2.378 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)c1 1299939756 XSPCXFMXICQSBX-UHFFFAOYSA-N 436.472 2.177 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 1300017988 AKYBAOOZIJQPMW-YKSBVNFPSA-N 431.496 2.063 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1300309355 GRJCEOCNWZWNNW-QZTJIDSGSA-N 434.585 2.385 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1ccco1 1300675646 FIFNKWSJHDFWOO-IEBWSBKVSA-N 443.548 2.306 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300746076 ODGHCNAXZGUGSA-IBGZPJMESA-N 441.601 2.479 30 10 IEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1300784972 HSKJKMPJOPYCFG-LJQANCHMSA-N 439.564 2.267 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C 1300871434 BWTDYZYBLLFSAX-JLSDUUJJSA-N 437.566 2.407 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300957494 WSAUODJOCRXMMN-UHFFFAOYSA-N 438.623 2.460 30 10 IEEE COC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301013440 WXZYORALPYTDTP-GOSISDBHSA-N 434.500 2.450 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCS2)CC1 1301086701 NISJRDNFHPLFLS-QFBILLFUSA-N 441.623 2.053 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1301108503 QWSJQZCYYWTSAT-UHFFFAOYSA-N 445.589 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301491639 MGQKFFXITVTRSD-HSZRJFAPSA-N 425.533 2.330 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1CC[C@@H](C(F)F)N1CCOCC1 1301968653 OEOIIQOHNHGURT-IXDOHACOSA-N 426.512 2.472 30 10 IEEE CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1302945859 KVWONWULNHIEOP-GOSISDBHSA-N 439.564 2.122 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)C1 1303556411 GPVNKPADZJLQFH-LJQANCHMSA-N 431.558 2.139 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H]([C@@]4(C)COC(=O)N4)C3)ccc2c1=O 1303765044 IQVUOYIGGFAFJK-LHSJRXKWSA-N 428.514 2.222 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1303935708 XNNQRCUDCRKIJU-ORAYPTAESA-N 448.453 2.411 30 10 IEEE CCN(C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1313623673 QTOCGHXUDJEPOT-UHFFFAOYSA-N 443.533 2.036 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOC(C)(C)C1 1316098740 KDJUTPYZGYFYSI-UHFFFAOYSA-N 447.971 2.471 30 10 IEEE C=CCN1C(=O)N(Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)C(=O)[C@@H]1Cc1ccccc1 1320761422 DVCHUMWANPEWAH-CYFREDJKSA-N 432.480 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(OC)nc1OC 1358974030 OOBJGJBYUMFKKB-UHFFFAOYSA-N 447.495 2.496 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1358981622 QVQARWJLZOMQPN-IBGZPJMESA-N 446.555 2.050 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N(C)C)CC1 1359173724 NAICZBTWRUFXIM-DOTOQJQBSA-N 436.582 2.187 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359291020 BGZHMKMKWPBECS-OAHLLOKOSA-N 445.474 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCOC2)C1 1359294075 JIAOFOSSORSBAL-NRFANRHFSA-N 433.459 2.466 30 10 IEEE CC(C)c1ncc(CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1359673313 XAAYWQUPAYAQEF-UZYVYHOESA-N 438.536 2.478 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1360476945 SULIYHBVNGNSJV-KXBFYZLASA-N 436.472 2.438 30 10 IEEE CC(C)N1CCN(CCCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 1441668104 SOYOFVUMRWTZEJ-FLFQWRMESA-N 449.621 2.244 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)s1 1452389815 QXQXPUAZXMPBPZ-UHFFFAOYSA-N 431.442 2.258 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(CCC#N)cc2)C1 1462861270 XZZUNCSAZBJEDV-IIBYNOLFSA-N 433.530 2.363 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C)(C)Oc3ccc(C(F)(F)F)cc32)C1=O 1462938343 RKEUWLIMGCDDJW-UHFFFAOYSA-N 425.363 2.186 30 10 IEEE Cc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c(C(=O)N[C@@H](C)c2ccccc2)cc1F 1468568881 HEOWTOWXHZRSTK-AWEZNQCLSA-N 449.442 2.398 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 1470459186 AHEOTGAWFKTLKA-UHFFFAOYSA-N 447.469 2.213 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](c2n[nH]cc2N)C1 1472351386 ISBFJZYPFLRWSG-GFCCVEGCSA-N 434.294 2.420 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC1 1477817643 PEYXHJZMNPNVGQ-UHFFFAOYSA-N 447.388 2.066 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1478655455 YINWQXPSSPOKDV-SJORKVTESA-N 438.322 2.025 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCn1ccnc1C 1499164375 MEERRQZSZIWLFN-KRWDZBQOSA-N 434.552 2.203 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(-n2cccn2)c1 1505058002 VBUZGGKCITUCCI-KPFFTGBYSA-N 436.520 2.369 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507624661 CTMBIQIUVHJHGO-PKOBYXMFSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507629664 OERZXQJVQNBAMZ-QUCCMNQESA-N 429.590 2.302 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1C[C@H](F)C1 1507710213 LQTUWGLQNAOEHI-QAQDUYKDSA-N 448.568 2.462 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)c(OC)c2)CC1 1507723780 UKSJDGHFNNZYKO-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1507773825 XRWCPABBFLEFFU-FXAWDEMLSA-N 435.594 2.039 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(NC(C)=O)CC1 1507779077 JSNJHKLTXYOSPT-ZDUSSCGKSA-N 430.347 2.016 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507981178 XAEBDULRLKZAOQ-RBUKOAKNSA-N 430.578 2.090 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C(=O)OC)CC1 1508041445 BSJCNGTXQCCMKX-UHFFFAOYSA-N 445.568 2.257 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](COC)C1 1508073079 LXYPXPDEXOXFDL-MRXNPFEDSA-N 429.521 2.127 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCOCC2(CCC2)C1 1508087894 UVYLQYQBXCWDCY-UHFFFAOYSA-N 425.533 2.187 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1508110143 YIMVVIOPLQOUGN-LJQANCHMSA-N 449.559 2.420 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc2cc(Cl)ccc2s1 1509691662 BIUAPOHZKJWCPN-CYBMUJFWSA-N 445.936 2.456 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1516836319 QXOIGWWTDIDJIW-NRFANRHFSA-N 446.577 2.413 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)OC 1519324311 XTCDDFYSJLQCOX-QZTJIDSGSA-N 428.537 2.235 30 10 IEEE CN(c1cccc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1)S(C)(=O)=O 1537556131 IVLHICPSBZZAGT-UHFFFAOYSA-N 449.554 2.090 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1539171156 HGHUDYUCBFLQGX-INIZCTEOSA-N 435.532 2.049 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1539259867 JGWPOGINAZMRHI-RBUKOAKNSA-N 444.539 2.299 30 10 IEEE C#CCSCCn1c(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1539530177 CLBGYJNSXBKQAF-JYLXEMOASA-N 434.606 2.404 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC(OCC)C2)CC1 1539836104 NURQQSHCBKXYSS-UHFFFAOYSA-N 446.573 2.435 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539924780 YQKVTIKLOWBUJX-KRWDZBQOSA-N 432.594 2.336 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCN1CCOCC1 1540857475 ADACTWBUMDXMGY-UHFFFAOYSA-N 434.585 2.347 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1546099578 ILXSBNTUBFOLLE-MIZPHKNDSA-N 441.532 2.274 30 10 IEEE COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@@H]1CC[C@@H](C)C1 1555536920 AMFCPMNCHCRDNY-BRWVUGGUSA-N 447.561 2.335 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)C 1555752271 BXADMAOUCPMLIT-LNLFQRSKSA-N 440.552 2.035 30 10 IEEE N#Cc1cncc(CNC(=O)c2cc(I)ccc2N2CCOCC2)c1 1558449913 MVHKBIRVZGJRGR-UHFFFAOYSA-N 448.264 2.324 30 10 IEEE COc1cc(/C=C(/C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc2)ccc1O 1558511520 UDUDXNDXEFDEIA-LWMOOHQMSA-N 438.505 2.338 30 10 IEEE N#Cc1cc(Br)cc(Br)c1OCC(=O)N1CCC(C(N)=O)CC1 1559472255 BEJVKFPFKYWQLO-UHFFFAOYSA-N 445.111 2.186 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)N[C@@H]4CC[C@H](C#N)C4)CC3)cccc2c1 1564961485 CVRONAGWKIJHOI-FUHWJXTLSA-N 427.530 2.251 30 10 IEEE N#Cc1c[nH]c2cc(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)ccc12 1586950442 MDEPXORQAAHLLB-UHFFFAOYSA-N 428.445 2.452 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CCOC)C(=O)C1 1587818101 QSVBWFNHWOQFCV-UHFFFAOYSA-N 433.516 2.044 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1588049361 FLBCTPURGCMWOE-QGZVFWFLSA-N 434.949 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCn1cc(Br)cn1 1588228819 MMTCVFUNELWOHL-INIZCTEOSA-N 431.338 2.294 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCN(CC)CC1 1588420891 SXDSSXUTELZJMR-HXUWFJFHSA-N 434.592 2.002 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1588560468 QQOVAXDXTRNWHW-OALUTQOASA-N 432.613 2.259 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)c2nccs2)CC1 1588732619 FBDCRAKSXDGOCD-INIZCTEOSA-N 429.594 2.212 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1588994123 QJEXCBSSLKLOOL-HXUWFJFHSA-N 438.557 2.422 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)cc2)cc1 1589083728 XIXFADULUFKNPJ-QFIPXVFZSA-N 438.553 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1589544786 JZRTWFLHANCELP-JQVVWYNYSA-N 444.624 2.391 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1593747309 UHTPKIDCCJXWKR-GCJKJVERSA-N 427.505 2.085 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1594819969 PXPMAUSUXJVZCI-OAQYLSRUSA-N 438.576 2.361 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1595051194 VGEGZQAOMWUWFD-JKSUJKDBSA-N 442.486 2.037 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCC)C1 1595466221 GQFGZVIGBLUVOO-IBGZPJMESA-N 440.548 2.455 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1595544222 GENPQLITESDANM-LEWJYISDSA-N 434.544 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1597064570 KMNYPHGKGQNCMD-HZPDHXFCSA-N 425.526 2.105 30 10 IEEE CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N)N(C)C 1603200445 FGXGNMAHNSSJOJ-FXAWDEMLSA-N 436.568 2.493 30 10 IEEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1617079003 KGCVDGGFIJQHSB-JOCHJYFZSA-N 435.488 2.027 30 10 IEEE CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1618946433 HPRKYNFADLAWGK-KRWDZBQOSA-N 438.532 2.355 30 10 IEEE COc1ccc(COCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1619296269 YFMAVICHNCYOLR-NRFANRHFSA-N 434.500 2.218 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C/CN2CCOCC2)c1 1625037186 VCRGVAGDQXOHDX-NPCVWWSMSA-N 434.562 2.107 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(N2CCCNC2=O)cc1 1635708059 FJBCROYXSMXMAD-QGZVFWFLSA-N 433.516 2.466 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 1638392417 BMQYBWUKADLHGA-KRWDZBQOSA-N 448.365 2.302 30 10 IEEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1638678145 BDIDUDPWDJQTHK-UHFFFAOYSA-N 443.613 2.180 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)c1 1640516263 HQUMNJWCQFVTJP-UHFFFAOYSA-N 438.502 2.125 30 10 IEEE C=C1CN(C(=O)[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H](C)CC)C1 1641274573 ZYNXRANTWWEVHR-CXAGYDPISA-N 427.954 2.133 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1OC 1654006348 BGCRJKSEBLJCAF-UHFFFAOYSA-N 431.514 2.106 30 10 IEEE C=CCC1(O)CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1657564869 UJUAQMYFRVMGIC-UHFFFAOYSA-N 443.953 2.296 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCC4(C#N)CCCCC4)CC3)C2=O)n(C)n1 1674485594 QHPZPHYGIXCPPM-LJQANCHMSA-N 441.580 2.025 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NC3(c4cccc(C#N)c4)CC3)CC2=O)C1 1676568125 CBDAVXBNXFIADZ-KRWDZBQOSA-N 439.516 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(=O)(=O)CC 1689860568 CSWCPNXKSILEOI-KRWDZBQOSA-N 428.562 2.068 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1689884162 LHNNRMDBVCJFSP-GOSISDBHSA-N 430.578 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1690122655 XZIMSALNNIYJKU-VQIMIIECSA-N 442.951 2.105 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCC[C@H]2C)CC1 1690132110 HVWIROFKLJAVDA-OAQYLSRUSA-N 438.624 2.159 30 10 IEEE C=C(C)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690297750 FOTKEWGAJJSOJQ-ZMPRRUGASA-N 430.553 2.484 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690310050 RNBJVMOHKGCFSG-ZWKOTPCHSA-N 446.596 2.201 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1690365873 JNUDXEIXBOISEA-HSZRJFAPSA-N 433.597 2.322 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690663635 CFCHNALWSBDRJU-YCRPNKLZSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C3CCC2(C)CC3)nnc1[C@]1(OC(C)C)CCOC1 1690731796 QIQFKHAHSWWPLZ-JITJBCMDSA-N 438.594 2.441 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1691006817 QKDDXEVQNZWXHL-ZWKOTPCHSA-N 447.584 2.278 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCCC3(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1693430369 GDTAJHNZHMVHCB-FMQUCBEESA-N 438.536 2.045 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1696058730 AFZQQFGMYJUDSO-RBBKRZOGSA-N 430.553 2.106 30 10 IEEE COCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1698001544 PUTQCQYMVXYKJP-DLBZAZTESA-N 434.541 2.158 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1698132976 AGBUYILAPFIVOS-IERDGZPVSA-N 436.532 2.235 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1698169096 FTXBGAQOCGPNSQ-HLAWJBBLSA-N 442.564 2.342 30 10 IEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1705509888 LERRAQXOJVJLTR-OAHLLOKOSA-N 445.593 2.050 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705570035 LUGZCDRLOPXLMR-MRXNPFEDSA-N 447.611 2.370 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1705609954 XKJMWQADCQQXSO-KRWDZBQOSA-N 430.530 2.143 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705735258 MIIJHNOWQIAUNK-UHFFFAOYSA-N 432.569 2.103 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705804903 RICWNMLZRGJQFJ-INIZCTEOSA-N 445.593 2.261 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1705894417 YDTDKLXSRYAXOC-SFHVURJKSA-N 440.523 2.024 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccccc2O[C@@H](C)C1 1705909384 VOOKSYBLQPJKIQ-MDKPJZGXSA-N 441.532 2.092 30 10 IEEE Cc1nnc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)s1 1707846633 VIHQSXBWWAXGQQ-UHFFFAOYSA-N 425.518 2.358 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H](O)C1 1711245058 NJDGPZFZWNSNGF-CWRNSKLLSA-N 449.353 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1722296711 UJVGNMXBIZCXPD-IEBWSBKVSA-N 427.574 2.091 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)[C@H]1CC 1722455655 VSQSANODBUWSPP-QGZVFWFLSA-N 429.546 2.044 30 10 IEEE C=C(C)Cn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@@]1(OCC)CCOC1 1722525983 NESKMYLAZNYNHZ-HSZRJFAPSA-N 443.596 2.179 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnccn1 1722533587 AWJICXYVYPXOSL-UHFFFAOYSA-N 446.515 2.211 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2c(F)ccc(F)c2C1 1722689739 YGGOKLAJCGETMF-CQSZACIVSA-N 435.475 2.145 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnn(CCOC)c1 1727010628 WNGKIWUFXOOIJK-GOSISDBHSA-N 449.563 2.276 30 10 IEEE COc1cccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1730252922 BCQGJLHELBKPBQ-LAUBAEHRSA-N 434.500 2.469 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740566631 IQNYXBDQJNRCNY-IAGOWNOFSA-N 425.599 2.476 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740621576 NRWVUNCQWQBBMZ-ZWKOTPCHSA-N 447.580 2.441 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 1740690818 OHQXZTWQWMUBAH-GGAORHGYSA-N 436.604 2.296 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740808804 YABJGELYOOHBSD-OXJNMPFZSA-N 445.999 2.415 30 10 IEEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1740899906 JPUFKDCPRXUPBY-GHTZIAJQSA-N 426.565 2.439 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1740900172 VPPJKLGKEZTZOU-FQEVSTJZSA-N 425.581 2.402 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1740937129 AZVFAUQXWYGIBE-OALUTQOASA-N 447.605 2.350 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1740986405 ZXSUMHOUKQCSRE-LLBVYWAGSA-N 439.516 2.050 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccc(C(F)F)n2)cs1 1742591885 KKBNPDMQCWTIQQ-CYBMUJFWSA-N 432.460 2.139 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1748747072 CABGVILQRCKMCA-IEBWSBKVSA-N 426.565 2.118 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1748926362 CTDURARKFXCNCP-GOSISDBHSA-N 430.622 2.440 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1 1749655319 HRYNFPUVMCRFBX-UHFFFAOYSA-N 427.509 2.076 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(N)=O)CCOCC2)C1 1749702942 ANKHWRPBEUWBPI-QGZVFWFLSA-N 441.532 2.017 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1750886380 DDBRLVDTOUEEMJ-MSOLQXFVSA-N 447.584 2.419 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCOCC1 1760095315 LMEHKHLECHGWPS-PZJWPPBQSA-N 436.560 2.046 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760138382 XJRIIJKGKOXEBI-QGZVFWFLSA-N 426.521 2.281 30 10 IEEE C#CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760151105 XVLFJMMBSXYSJX-FQEVSTJZSA-N 445.589 2.235 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760157216 IMCPVNCLFHKUQU-QGZVFWFLSA-N 442.589 2.376 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)CCOCC1 1760216382 LKFJSVNUWKMQJW-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760288363 AHCKQESPZLKIDZ-PTUXOGIPSA-N 442.585 2.362 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760319855 QBYCJOLEUKDOKJ-LNLFQRSKSA-N 431.562 2.335 30 10 IEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 1760360478 CYLLTJPBCLHGKE-LJQANCHMSA-N 437.548 2.124 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1)C1CC1 1760470680 ZPHHJGBFCLEVGZ-INIZCTEOSA-N 441.561 2.277 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1760494992 BYYZLYKIOADAMY-KRWDZBQOSA-N 432.546 2.424 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1760521824 FAJDZLZTYDJCHO-INIZCTEOSA-N 445.951 2.226 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1761356318 DWYGPYBQPDAJSG-IAGOWNOFSA-N 449.519 2.064 30 10 IEEE C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1761414898 XCUKBCSGHPXTSD-DOTOQJQBSA-N 429.519 2.274 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1762012533 AXEXTQOBTRCWTQ-ICSRJNTNSA-N 438.580 2.106 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(S(C)(=O)=O)CCCC1 1762629521 DREJGYUURCBUCJ-LJQANCHMSA-N 429.546 2.394 30 10 IEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)OC 1763857672 HTPFMPNWOBOTII-RBUKOAKNSA-N 446.577 2.150 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1764188333 TZEHCMFHZNVNPD-HXUWFJFHSA-N 438.532 2.046 30 10 IEEE CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1(C)C 1766144358 BRNXDWYVDXBPOM-OALUTQOASA-N 440.548 2.457 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769723117 PEWNDRKDBQYROC-SHQVNNEXSA-N 430.553 2.398 30 10 IEEE C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H]1C(F)(F)F 1770641502 ZDOAQJCHVPMCKX-TYNCELHUSA-N 443.451 2.328 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1770789257 ZIZVJUASBZUNAE-LJQANCHMSA-N 436.495 2.226 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCOC[C@@H]1OC 1771110071 KTTYXJYSDGFZGH-SJORKVTESA-N 434.928 2.411 30 10 IEEE COc1ccccc1N1C[C@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1=O 1850898529 JUZYVAYHVDRROY-LJQANCHMSA-N 433.512 2.348 30 10 IEEE COc1ccccc1-n1nnc(C(=O)NCCN2CCC(C#N)CC2)c1-c1ccccn1 1851087310 XAOWJYNGOYYLMP-UHFFFAOYSA-N 431.500 2.303 30 10 IEEE O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851233224 DYBHNCMCUGDQMD-UHFFFAOYSA-N 437.362 2.048 30 10 IEEE Cn1ccsc1=NC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1851517523 CZVRJXVACWFCLD-GJZGRUSLSA-N 429.933 2.024 30 10 IEEE N#Cc1ccc2[nH][nH]c(=NC(=O)C3CCN(Cc4cnnn4-c4ccccc4F)CC3)c2c1 1852549520 LPCCVMFPIRCYRZ-UHFFFAOYSA-N 444.474 2.427 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C)[C@@H](C)C2=O)cc1C#N 1854142393 UIMWKOUSDGUMSA-HNNXBMFYSA-N 429.473 2.376 30 10 IEEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C(=O)C1 1855521363 OSTSPILJOHGWLI-UHFFFAOYSA-N 445.994 2.049 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862754647 OXZJONINTHQNAU-APPDUMDISA-N 427.369 2.462 30 10 IEEE COc1cc(N2C[C@H](CNC(=O)c3ccc(C#N)c(F)c3)OC2=O)cc(OC)c1OC 1890871738 KQQGIGQJRRYOTF-HNNXBMFYSA-N 429.404 2.478 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(COc3ncccc3C#N)CC2)c([N+](=O)[O-])c1 1892086878 SUSJQBNFFYEORS-UHFFFAOYSA-N 432.458 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2010123317 AWTZLKMDIMPDTP-PMPSAXMXSA-N 440.541 2.060 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2010245515 CIBPNIJYQNSJKL-HZPDHXFCSA-N 439.553 2.170 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2011680131 GFNPWWZMTHXBNI-HNNXBMFYSA-N 439.553 2.334 30 10 IEEE COc1cc2c(cc1OC)C(=N[C@@H]1CNC[C@H]1C(C)(C)O)NC(=C1C=C(F)C=CC1=O)N2 2060397646 IXTQNANZDPZION-NVXWUHKLSA-N 442.491 2.028 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669820 HSYAQASODRBJDK-WMLDXEAASA-N 447.341 2.344 30 10 IEEE C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247835717 PHTMRCWVDDPNMF-CHWSQXEVSA-N 437.371 2.428 30 10 IEEE CC(C)N(CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255698083 NFGPDDGMIKCOLZ-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE Cc1c(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832801 ROFJCKDFYMOZPQ-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267099761 NLSPKZCVEVRCFE-RBUKOAKNSA-N 436.365 2.303 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)[nH]n2)OC1(C)C 2267146868 NEDDFOGOKLRHGD-RTBURBONSA-N 436.365 2.303 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267188950 TUXNSCVCACKEST-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)(CO1)C2 2267285062 HKUWYWFCDQMLOA-UHFFFAOYSA-N 448.325 2.135 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2267496337 ABAXFRHSNIXXPS-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N2CCO[C@]3(CCCN(C(=O)C(F)(F)F)C3)C2)OC1(C)C 2267563828 DFXSOOVGCFGGSL-IQUTYRLHSA-N 446.275 2.251 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCCO1 2267567488 CKQANEQXVRWWBJ-INIZCTEOSA-N 449.357 2.070 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268640287 VQHIUBFSUIITRQ-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 2296621188 WIPPJOWVTOZNNO-FQEVSTJZSA-N 426.517 2.419 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304797151 FZWBXOOZJFRHAK-UHFFFAOYSA-N 426.294 2.440 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2315646068 QWOIWGHANAEQMC-NSHDSACASA-N 447.288 2.116 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)n1C 2337188250 OCQLQNTYVQBCAX-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nc(SCCC(=O)NCc3ccco3)n[nH]2)cc1 20906080 VMHNSYGKAQZLOF-SRZZPIQSSA-N 428.474 2.429 30 10 IEEE N#Cc1ccc(Cn2cnc3c2c(=O)n(C[C@H]2CCCO2)c(=O)n3-c2ccccc2)cc1 34694727 CNBWOXIOZCLAHV-HXUWFJFHSA-N 427.464 2.448 30 10 IEEE CCOc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cnn(CCOC)c2)n1 59886714 MQROOXWAJSTYPW-KEBDBYFISA-N 444.521 2.223 30 10 IEEE C=CCn1c(=O)c(N2CCN(C(=O)c3ccc4ncccc4c3)CC2)nc2cccnc21 64579105 OFJZGBWMRAVQLI-UHFFFAOYSA-N 426.480 2.488 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2Br)CC1 322819579 FFJWJEBULDYCEL-UHFFFAOYSA-N 445.155 2.272 30 10 IEEE N#Cc1ccc(OCCNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 460294012 RQEZMHAQJHOHIK-UHFFFAOYSA-N 430.482 2.079 30 10 IEEE N#C[C@@]1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCc2ccccc2C1 471929165 CWCHPHXYIMGJAJ-OAQYLSRUSA-N 445.566 2.201 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1C 473427736 OGIYCGSVIFHCTN-UHFFFAOYSA-N 436.560 2.317 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CC1 474343203 UWQPSXYTSLTQJD-QGZVFWFLSA-N 446.916 2.361 30 10 IEEE CS(=O)(=O)NCC1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 480325973 DNCYNNZCLKLLJY-UHFFFAOYSA-N 436.925 2.190 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)ccc1F 501993884 ZZBFXJSJDGZIRH-GOSISDBHSA-N 449.529 2.243 30 10 IEEE CC(C)c1nnc(S(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)n1Cc1ccco1 506966909 YZBDLDRVRNXHNR-UHFFFAOYSA-N 427.486 2.005 30 10 IEEE CO[C@H](C)c1noc(CN2CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 507316624 UUAKLCVZHIISRA-VFNWGFHPSA-N 435.525 2.073 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508630868 OPMMKLPWUWNRHD-NHCUHLMSSA-N 433.512 2.052 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 522720429 LMSUXAIFBUTVLS-LJQANCHMSA-N 429.546 2.499 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 523322027 PPUSDTYYWSDNNZ-UHFFFAOYSA-N 441.509 2.499 30 10 IEEE C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCN(c2ncccc2C#N)CC1 524450911 NGEURQCVQGQZGQ-FQEVSTJZSA-N 432.572 2.245 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)s1 534602614 UPHHWXOQYHMNGX-HNNXBMFYSA-N 444.578 2.421 30 10 IEEE Cc1nc(CN2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)n[nH]1 541797736 NSVKWAHELUBWJB-UHFFFAOYSA-N 425.884 2.174 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2Cl)c1=O 548806534 CXURMPIKPKVMHQ-UHFFFAOYSA-N 444.940 2.389 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 555255865 OCUNVLGSVNBAJQ-OALUTQOASA-N 431.562 2.181 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 607721959 OZWZEQOBCWERMY-LJQANCHMSA-N 436.578 2.212 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NCc3cccc(C(=O)N=c4cc[nH]cc4)c3)cc2)c1N 609647999 VFQBLXOPLQOXRU-UHFFFAOYSA-N 437.463 2.325 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@H]1CCCO1 610574302 DUYOZZIBDUDMHB-LJQANCHMSA-N 449.576 2.092 30 10 IEEE C=CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1OC 684886636 PCNKYWGGNSCIKL-UHFFFAOYSA-N 448.497 2.239 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)ccc1F 732790801 WPTKHKBPZRVZAB-SFHVURJKSA-N 449.479 2.307 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=C3CCC[C@H]3S(C)(=O)=O)nc2)C1 741455163 JKGDVQLVPXOUSB-CKEIUWERSA-N 428.580 2.113 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 741644349 ZCUDUMSWLPRBFL-HNNXBMFYSA-N 435.477 2.482 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742213874 PVAYIZSVLNYDIW-JGOVDORISA-N 429.590 2.076 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)cc1C#N 747494918 GKWLZYBCVMJCHU-UHFFFAOYSA-N 444.373 2.421 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@H](CO)c2ccccc2)c1 750591375 ZEZXHXWMXPECCJ-OVJLLXBISA-N 430.530 2.397 30 10 IEEE CCOc1ccc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)cc1 760401491 XQWMDCCFRUERQJ-MRXNPFEDSA-N 433.530 2.358 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1 789246865 YIGPHZWEBWUIQT-MJGOQNOKSA-N 433.553 2.320 30 10 IEEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 794645022 LQTPZXNNUNIHKB-HNNXBMFYSA-N 440.590 2.401 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 795957413 KSDLWCDPUASSFO-OAQYLSRUSA-N 441.576 2.338 30 10 IEEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805589371 ZTACZNRMQYAPKN-PBHICJAKSA-N 425.464 2.295 30 10 IEEE Cc1nsc(N2CCN(C(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)CC2)c1C#N 810892878 WXZGRTCCQSIQSW-YVMONPNESA-N 431.543 2.057 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)OCCO2 812183699 KMKHFZHQVPGRFY-UHFFFAOYSA-N 447.561 2.115 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)n1 856674462 LGLVYOPARJJUOB-SBUREZEXSA-N 441.532 2.345 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)s1 918728987 AFFWLVUQUFGZDN-AWEZNQCLSA-N 431.583 2.362 30 10 IEEE CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133035095 DZSOGUFEXAGEPM-IBGZPJMESA-N 440.569 2.238 30 10 IEEE Cn1cc([C@]2(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCCO2)cn1 1134792480 MEABOBIWKIVJCG-YCRPNKLZSA-N 427.892 2.120 30 10 IEEE C=CCCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1 1136549046 DLBAWPSHFUZWSM-UHFFFAOYSA-N 429.955 2.106 30 10 IEEE N#Cc1cn(CCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c(=O)nc1O 1144543825 DSIMBIQOTBXCKW-UHFFFAOYSA-N 425.348 2.358 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)CSCc3ccc(C#N)cc3)C2)nn1 1153254422 WENWOVCVBURVGR-UHFFFAOYSA-N 442.545 2.491 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1 1189927109 KZSBOZCXCSHFSN-UHFFFAOYSA-N 441.600 2.265 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OC 1213735509 ZSLVELKEESYKRT-LLVKDONJSA-N 429.438 2.156 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)CC1 1220773827 PATUUDDDSUHULC-IBGZPJMESA-N 440.569 2.002 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc2)CC1 1246302382 KSCQLFPKVFHBSF-XMMPIXPASA-N 432.572 2.358 30 10 IEEE CCCCNC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1264969300 WIAHCGOHOXTLBO-RHSMWYFYSA-N 434.949 2.382 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1286365946 NVFHIOOKXYPDII-IRXDYDNUSA-N 445.589 2.468 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(F)(F)F)cc2)CC1 1286472252 WWWPQGTUOZLYPV-UHFFFAOYSA-N 434.466 2.239 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1COCCO1 1286515419 IRUVIDBINUVXLP-GAJHUEQPSA-N 442.516 2.378 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286629211 OMWVFYYAUWDKOM-GOSISDBHSA-N 436.988 2.059 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1286683320 OGFHVQYYGQBTPS-HUUCEWRRSA-N 440.595 2.279 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1286727089 MDCSLEXCLPKIHN-JGVYIQDASA-N 439.582 2.120 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1286832876 PNZDJRAEJFOJTA-ZWKOTPCHSA-N 440.635 2.495 30 10 IEEE C=CC1(CC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)CN(C(=O)OC(C)(C)C)C1 1295100314 OOUIZBCTIDBGOV-MRXNPFEDSA-N 428.489 2.189 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1296306959 WIPAMSYJLCMWQZ-KRWDZBQOSA-N 445.474 2.092 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1300319301 AATWENUKGKIZNT-ROUUACIJSA-N 436.560 2.435 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300392448 XKPZIOBFHUIDCZ-UHFFFAOYSA-N 436.969 2.173 30 10 IEEE Cc1c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)nnn1-c1cccc2c1CCN(C)C2 1300392765 JMDLKMUCBHUEMN-QFIPXVFZSA-N 430.512 2.241 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)CN1CCOCC1 1300505892 KCIZJFFQVUYFFG-LJQANCHMSA-N 448.571 2.188 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1 1300595438 AQIIDQKEGUGEIL-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1csc(C)c1 1300654877 KISQAHKCOCSBID-UHFFFAOYSA-N 434.529 2.425 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1nnc(C)s1 1300656487 HWMUFQDRTSEHLJ-UHFFFAOYSA-N 427.490 2.342 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOc2ccccc2)CC1 1300685040 DVWWPKYNUTVLFO-DEOSSOPVSA-N 439.560 2.155 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1300756031 CGBCPQGKYMMNND-SFHVURJKSA-N 428.537 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(F)c(C#N)c4)C3)[C@@H]2C1 1302897522 HZPFTSKBFVKCCD-JQHSSLGASA-N 444.463 2.352 30 10 IEEE C#CCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656023 OZRPFEVHVQDYIZ-QZTJIDSGSA-N 431.533 2.023 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)S1 1305151435 WYJURNGUSWYPQR-GASCZTMLSA-N 434.591 2.086 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1305852362 VSJIBDPQBGHBHZ-OAQYLSRUSA-N 443.573 2.383 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCc1nnc(C)s1 1306242625 DDYVQQFKIFLNEO-KRWDZBQOSA-N 436.545 2.324 30 10 IEEE CO[C@]1(Cn2c(N3CCC(CC#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1315280203 REFFZOMWQKWKQC-FCHUYYIVSA-N 433.553 2.254 30 10 IEEE C#CC[C@]1(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 1352664206 FYSCISJYEFMNOL-HSZRJFAPSA-N 442.516 2.023 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCCCNC(=O)OCc1ccccc1 1357282624 KHIRVFYYTVUYBL-UHFFFAOYSA-N 426.477 2.153 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC(C)C 1358880297 JFOZGLHYPMNQQL-CQSZACIVSA-N 439.969 2.393 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1358924237 QIFHPCZTLIMDFA-UHFFFAOYSA-N 446.437 2.228 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358960404 DJVSKHTXIKPTAQ-CVEARBPZSA-N 427.530 2.088 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358966025 GLKCFJYRXRGFGP-OAQYLSRUSA-N 440.569 2.037 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1358966955 AIBGASSFOJHWMK-SJORKVTESA-N 449.577 2.163 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359245250 IEFNEFAXPDZNCG-HOTGVXAUSA-N 439.582 2.407 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1359254464 SGQWKDRNTSIVNQ-PGRDOPGGSA-N 443.573 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2C)CC1 1359297371 OHYTVMVNGBJYLV-UHFFFAOYSA-N 431.544 2.273 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359309891 GUDDXRWOJJSUMM-HSZRJFAPSA-N 435.532 2.254 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCC1 1359468394 KRQPGVQVCSMZAA-AWEZNQCLSA-N 432.506 2.416 30 10 IEEE CC(C)(C)C#CC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1444244143 DIQQTMWJQFPLIB-UHFFFAOYSA-N 441.391 2.417 30 10 IEEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1455092480 LAXPJAWSHXZHGZ-QGZVFWFLSA-N 441.431 2.204 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1ccnn1C 1459528874 RDCFXUOWDHEETN-SJORKVTESA-N 437.378 2.117 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1461633958 NMRMLGOJBUPUQF-LJQANCHMSA-N 433.574 2.479 30 10 IEEE COc1ccc(CNC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)cc1C#N 1462460994 ZXRAWBZHTHRLFW-HSZRJFAPSA-N 425.485 2.338 30 10 IEEE CN1CCN(c2cc(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)ccn2)CC1 1464202780 AKYIAKUXYFVQEL-LJQANCHMSA-N 444.580 2.427 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(I)ccc3N)CC2)nc1 1464404959 KHPYHSSFHYLQPT-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1475844017 BDPCOZSTAVCQGO-QGZVFWFLSA-N 435.546 2.373 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1492727790 HYNHHVYXHNWSFW-QFIPXVFZSA-N 428.585 2.124 30 10 IEEE COC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1504053561 CQFCFBDTIDXQRA-MRXNPFEDSA-N 444.561 2.348 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 1505313994 OMDUHFAGOJQKHP-NVXWUHKLSA-N 430.459 2.333 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507551839 ICNPAKATAHERGQ-INIZCTEOSA-N 426.487 2.390 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507594202 MROGKNMDHVVOSF-HXUWFJFHSA-N 434.588 2.266 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1507960822 UZQLVNIXFINUEM-UHFFFAOYSA-N 425.537 2.495 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1508087140 BFFXJTYGEQMTPB-MRXNPFEDSA-N 429.525 2.322 30 10 IEEE CC(C)CC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509267100 WXCWXZKAGHAYNP-HSZRJFAPSA-N 448.531 2.457 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1509822869 ISIBTARPKFPFNZ-GGAORHGYSA-N 447.580 2.380 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCn2cc([C@@H]3CCOC3)cn2)n1 1511670263 UTGHXPCKARGWJW-PKOBYXMFSA-N 437.552 2.279 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1515681713 YFLWETGFRSIHDA-XXBNENTESA-N 438.532 2.212 30 10 IEEE COCCN(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1519109432 BXWGZJDDPDZEPC-AEFFLSMTSA-N 444.605 2.438 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCc2ccco2)C1 1521064096 YKTCAABTHFFWAH-IBGZPJMESA-N 429.843 2.345 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 1528728769 WOVYGYGESSYPRO-HNNXBMFYSA-N 431.432 2.024 30 10 IEEE C#C[C@@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12)C1CCOCC1 1529522453 YAMLOZHXOUFDER-LJQANCHMSA-N 445.541 2.129 30 10 IEEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC3(C#N)CCCCC3)CC2)cc1 1531318014 SYHWFWWAWAKXEW-UHFFFAOYSA-N 448.589 2.127 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1531581089 SFRDCXVPHUTXCB-UHFFFAOYSA-N 447.536 2.267 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1536351813 FJXKHQQILYTEIP-FQEVSTJZSA-N 439.537 2.251 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)ccc1F 1536891633 VDQMLVOYTDIKII-JTQLQIEISA-N 427.479 2.024 30 10 IEEE CCOC(=O)C[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 1537287114 SAKKYHFVWNJBNN-OAHLLOKOSA-N 441.509 2.199 30 10 IEEE CSc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C#N 1537956707 MFBMUEWDYAQDEP-UHFFFAOYSA-N 446.554 2.175 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539002520 ULPOYKIVJFAIFQ-OXQOHEQNSA-N 431.500 2.359 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1539230602 IUGHANXOOSBNLY-AHKGRUIUSA-N 444.557 2.459 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(F)c1)N(C)C 1539284029 FBCCYBQAXNDRRV-OAQYLSRUSA-N 436.535 2.419 30 10 IEEE C=C(Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1539771201 VSTJJCIKZQPLMX-JOCHJYFZSA-N 446.573 2.267 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc(CO)nn2)CC1 1539836359 RTVWAQPISFMWHU-UHFFFAOYSA-N 447.341 2.366 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(=O)N(C)C)CC1 1539848165 MBDAEDWWQFQMDD-UHFFFAOYSA-N 438.580 2.477 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCS2(=O)=O)CC1 1539900288 JZNJTBFXNHZIFC-OTWHNJEPSA-N 438.594 2.372 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)no1 1540200931 LHQBFOFWUWVKES-UHFFFAOYSA-N 438.536 2.436 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1540857398 UMVPNQLELAQGHK-INIZCTEOSA-N 429.594 2.491 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1540864670 HUQCMCTXIMUBHE-UHFFFAOYSA-N 442.951 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540864967 QGHMIOXDGMXBMO-MRXNPFEDSA-N 443.895 2.170 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541606140 FHGNHQRMSJUYOD-FQEVSTJZSA-N 438.580 2.453 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1541804965 HEIQWKBBRUYHRG-AWEZNQCLSA-N 430.463 2.060 30 10 IEEE CCCC(O)(CCC)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1546927469 MAYDZHWEQQQBGL-GCJKJVERSA-N 435.569 2.379 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1547552667 KDXDOEDKQKQUCH-DVSFIDLUSA-N 430.553 2.398 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)C#N 1548325828 LKEMMUGVPKRMDL-AWEZNQCLSA-N 439.973 2.261 30 10 IEEE N#Cc1ccc(N2C[C@@H]3CCN(C(=O)c4cncnc4)C[C@]3(CO)C2)cc1C(F)(F)F 1548365754 IQRWEOKNLWXFQU-OXJNMPFZSA-N 431.418 2.328 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1555985048 HEEFYOHTPXKSMV-SCLBCKFNSA-N 438.916 2.260 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(CS(C)(=O)=O)CCC3)C2)C1 1557040004 NJPRHUJRNWJOBJ-TZQQIIETSA-N 439.578 2.104 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CC(=O)N(CC)CC)CC1)c1ccc(Br)cc1 1565000361 WTLLERLOHKOPJE-SFHVURJKSA-N 435.366 2.319 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1583239538 ZUPYRWOFEJVHJX-CVEARBPZSA-N 449.356 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1COCCO1 1588594661 JUXDUXXQMBQDDM-ZDUSSCGKSA-N 441.351 2.271 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nnc(C)s2)CC1 1588768923 MOZKWNGBOGOPSG-UHFFFAOYSA-N 432.557 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2cccs2)CC1 1588954491 HWSOJTWGXYQSQS-QFIPXVFZSA-N 427.574 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C 1589556238 BABUVXBEVBCYPE-GCJKJVERSA-N 441.580 2.368 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1595062095 HVSAKWYFICISMV-MRXNPFEDSA-N 433.553 2.444 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C)C1 1595689145 SABGLLUIVBINCE-WMZOPIPTSA-N 433.578 2.080 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595901606 ZSFHLUWSBYCPTK-ZWKOTPCHSA-N 429.594 2.116 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1597616676 NIIDIJNCOKFFPQ-CABCVRRESA-N 428.493 2.398 30 10 IEEE CC(C)(C)O[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1597649392 UHJUKEKZOSJDIG-YJBOKZPZSA-N 447.561 2.477 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 1611574709 XRGJAQAYDFJGNH-KNQAVFIVSA-N 431.496 2.479 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1 1611816639 OWOUNTUYUWEGNG-QFIPXVFZSA-N 437.479 2.427 30 10 IEEE COc1ccccc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1ccc(C#N)o1 1619380683 FPUHKOHPLFFUFC-CQSZACIVSA-N 429.502 2.336 30 10 IEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1619576238 HUZFWFPCZJWJNL-KRWDZBQOSA-N 437.548 2.483 30 10 IEEE COC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1)OC 1619593297 HRLNSFSDFQTLRJ-QGTPRVQTSA-N 435.912 2.462 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)CC1 1619834659 MFMXUSDLRSKTEH-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CN(C)C(=O)c1ccc(OC2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)nc1 1620378136 CRDJAYHVIUBQMB-HXUWFJFHSA-N 438.528 2.133 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1)C1CCOCC1 1626232808 GOKFHYVPJTVAPF-MRXNPFEDSA-N 449.349 2.277 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)C1=O 1626599214 ZXMHIQJXEZINSL-ZMOVQZPESA-N 425.507 2.399 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1OC 1626685551 OGFWVHLGYGHTPK-FDDCHVKYSA-N 448.516 2.263 30 10 IEEE COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)CO 1627548516 LBRBEPXGEHTFBI-RISCZKNCSA-N 428.283 2.024 30 10 IEEE C[C@@H]1COCCN1c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1Cl 1631089057 PMAZUSJBTZVQSB-CQSZACIVSA-N 448.932 2.354 30 10 IEEE Cc1cc2c(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)n[nH]c2cc1C#N 1632033234 FPOGQMBNILWFNI-MRXNPFEDSA-N 439.497 2.453 30 10 IEEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1634052039 BDWLUXLRFYEPNN-MRXNPFEDSA-N 440.504 2.237 30 10 IEEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1)C(=O)OC 1637693759 NAPRXRBZRXBOTG-KRWDZBQOSA-N 431.466 2.148 30 10 IEEE Cc1c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cnn1-c1ccc(F)cc1F 1639547133 IVLVBULGNDDCKZ-UHFFFAOYSA-N 431.424 2.248 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)Cc1cccc(F)c1 1641557087 BYCRFIQWXSDMPG-MJGOQNOKSA-N 447.532 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CO1 1648486758 BVARCPIPDGPTFW-OALUTQOASA-N 428.533 2.480 30 10 IEEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1648931998 MHPUUKJREJKGSZ-JTQLQIEISA-N 428.312 2.224 30 10 IEEE N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)C1=O 1660647264 PMJLGRXGEDUWKI-XEZPLFJOSA-N 433.477 2.167 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 1664294911 BTHBVMOTJYPDRQ-UHFFFAOYSA-N 446.319 2.201 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H]1CCCc3cc(C#N)ccc31)CCS2(=O)=O 1673750766 UFWXLKRGVSYFAJ-LKYPVIHCSA-N 445.541 2.134 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC3(CC2)CO[C@H](CNC(=O)OC(C)(C)C)C3)nn1 1682167026 LKHXJNIVEZLXHP-KRWDZBQOSA-N 434.541 2.070 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4cccnc4c3)CC2)cc1 1683338307 JNXSBXLPWJYYHV-UHFFFAOYSA-N 435.509 2.323 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCOCCS(C)(=O)=O 1690207762 KYVNKEPFUBDOBH-OAQYLSRUSA-N 434.537 2.061 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC 1690305850 JWYXPABNZGPUIW-INIZCTEOSA-N 429.521 2.127 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CC1 1690411420 LXHMGIKGINBPNG-RTBURBONSA-N 438.594 2.026 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCNS(C)(=O)=O 1690578511 ZUVFUSMDUQQUNT-MRXNPFEDSA-N 425.580 2.323 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690683766 UUURFPUAGBHROI-FQEVSTJZSA-N 425.533 2.185 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1690714825 WAYSWIWQSUNPCH-VQTJNVASSA-N 441.532 2.437 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1694325386 CRDIGVCUHFSALR-QFIPXVFZSA-N 447.559 2.430 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1694722479 CPAZMROOPUPZSN-IBGZPJMESA-N 442.589 2.396 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1698302679 ZPCNXJSOXNRLIM-SFHVURJKSA-N 445.476 2.132 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705556358 GNOWUJJGZSLSGG-UHFFFAOYSA-N 437.495 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H]1OC 1705580440 JGYHKBLHKSXPCK-PKOBYXMFSA-N 440.573 2.126 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(CCC)C(=O)OC(C)(C)C 1705596535 HLOHYESULPYHTN-GOSISDBHSA-N 442.564 2.339 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705599376 YCSZIMMPSWTOJU-XZOQPEGZSA-N 446.599 2.456 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705660103 MTTQIVVVMHXZGN-WIYYLYMNSA-N 444.649 2.291 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705662863 NYUABKTVKYXHFS-QRWLVFNGSA-N 433.603 2.384 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705699760 LNUAGAZVSBOXDB-CTNGQTDRSA-N 430.597 2.127 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1705760104 AIAPPOLQBDLBHV-DYESRHJHSA-N 439.988 2.372 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCS(C)(=O)=O)CC1 1705764684 JIOJCLQWBGLWAR-UHFFFAOYSA-N 436.534 2.172 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705872536 AYTVXCNNTYLFHY-LJQANCHMSA-N 426.546 2.419 30 10 IEEE Cn1ccc(Nc2nnc(CCCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1711262642 BVSVUNOXLPRHAX-DQRAZIAOSA-N 446.515 2.457 30 10 IEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCN2CCSCC2)CCO1 1712885981 FCECJJOAKCYOLD-FQEVSTJZSA-N 426.590 2.231 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1722282771 RHRVOLXOBQHBSL-QGZVFWFLSA-N 425.537 2.337 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1722290474 FZGYBIOSJZMIHI-MRXNPFEDSA-N 434.500 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1722292892 KIANMHIMZHWHMW-QZTJIDSGSA-N 433.560 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1722348916 BCQPDUPGHJYMGX-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722351012 HMJIWUOGEWOMDJ-UHFFFAOYSA-N 438.507 2.332 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722362590 NRWVUNCQWQBBMZ-QZTJIDSGSA-N 447.580 2.441 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722365473 OITLWJNPXSUWEF-OXJNMPFZSA-N 443.573 2.425 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1722370307 BHGYIDMFXRCIJT-QGZVFWFLSA-N 433.603 2.119 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCCn1cc(Br)cn1 1722424483 OOVKTXZHQDTSDD-UHFFFAOYSA-N 446.353 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCC)CC1 1722449512 KZEFSNYZSSOELA-UHFFFAOYSA-N 442.589 2.426 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)c2ccccc2)CC1 1722568492 OLYNYSPBUXOGRI-UHFFFAOYSA-N 429.546 2.031 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(c2ccccc2)CC1 1722700667 PIWGRTUIYDZXQQ-UHFFFAOYSA-N 432.528 2.054 30 10 IEEE Cc1cccc(CCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)C[C@@H](C)C#N)n1 1724521019 BTCGWUXTZNVWMN-INIZCTEOSA-N 428.504 2.463 30 10 IEEE Cc1nnc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)s1 1726354768 DLDFPTPCGIXXOZ-UHFFFAOYSA-N 428.547 2.218 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)O1 1727298638 WDNZLFKEIHKVBK-XAUMDUMWSA-N 438.598 2.366 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1cccn1 1740550410 PULVCUQKLIBAGP-KRWDZBQOSA-N 430.516 2.420 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740569947 SVTPMIBEBIEGKW-GOSISDBHSA-N 429.532 2.464 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1740695651 AAAAHELFWJYUNS-UHFFFAOYSA-N 428.625 2.267 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740783258 ACUAGHFXAGANSC-UHFFFAOYSA-N 442.951 2.479 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740792141 VANWFVIDUDVZPV-FQEVSTJZSA-N 426.565 2.481 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC=C(C(F)(F)F)CC1 1740958491 BJLNNSQRRCQDGH-UHFFFAOYSA-N 438.410 2.007 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(Br)cc2C1 1740960328 PJEMOFXHWHRXIP-OAHLLOKOSA-N 446.349 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740987723 XYGVYGUWXDASSN-IRXDYDNUSA-N 425.599 2.086 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748032881 OUHNDCHSKKWVCJ-KSFYIVLOSA-N 439.470 2.209 30 10 IEEE COc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H](C)N(C)C)cc1 1748662982 FZBDBKMXLONRFF-SFHVURJKSA-N 446.559 2.497 30 10 IEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CO)CC1 1748757469 CVWZUMUKBQYUMV-UHFFFAOYSA-N 436.604 2.265 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1CCCO[C@@H](C)C1 1748853162 WFCCTCIGFLEGLE-SFHVURJKSA-N 426.590 2.208 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749048087 IHAKDULRHAIMDJ-UGKGYDQZSA-N 449.621 2.038 30 10 IEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749103521 AKACIWXKBHJXIR-XJKSGUPXSA-N 448.321 2.366 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)CC1 1749317331 ROFNRWFKSNZTOL-ZACQAIPSSA-N 430.553 2.484 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N(C)C 1749539219 WJESQGPRFUPLGM-UHFFFAOYSA-N 428.562 2.368 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnn(CC)c1 1749655673 OURDQGPNMXNUOM-UHFFFAOYSA-N 445.531 2.490 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1749668996 BHXPZFYCKWPJCZ-SFHVURJKSA-N 441.511 2.387 30 10 IEEE CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1749900847 DJMCDISRBKSJOF-LJQANCHMSA-N 444.499 2.139 30 10 IEEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1751341207 FARFZGQDIZRAHN-UHFFFAOYSA-N 441.561 2.352 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760119893 DRMYMHBQSDCWSV-QGZVFWFLSA-N 439.541 2.204 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(C)C)C1 1760147016 DPJALFYBNSDJQN-FQEVSTJZSA-N 445.589 2.470 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760313400 NSZAKMKBSHTOBP-KSZLIROESA-N 430.553 2.149 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760318722 IAVZELCYXMNSBR-SCTDSRPQSA-N 433.578 2.278 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1760414756 BRSVADDCEFDVSV-SFHVURJKSA-N 427.553 2.105 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760449217 DPHBCGAVLVUIQN-HNNXBMFYSA-N 427.475 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOC(C)C)C1 1760545580 WXJMLKIATBGZFL-QGZVFWFLSA-N 448.593 2.445 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CC(=O)N1CCOCC1 1761518086 DBUZTKBVTPDUAD-MRXNPFEDSA-N 442.495 2.156 30 10 IEEE CCN(CC)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1765022807 PUFWEWADYDZKGT-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1766974294 UWLTYGXTSGBZIQ-UHFFFAOYSA-N 436.520 2.312 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(Br)n2)CCO1 1771537719 UIJBGGHJVBRAGU-HIFRSBDPSA-N 433.310 2.107 30 10 IEEE N#Cc1ccccc1OC[C@@H](CS(=O)(=O)c1ccccc1)OCCN1CCOCC1 1851842830 CRWIHEDXIGIWBY-FQEVSTJZSA-N 430.526 2.128 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852629802 NIYHDKFFFMCHFQ-GOSISDBHSA-N 429.521 2.018 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)C(=O)C2)cc1 1854032118 HOYSLHACLSMPSA-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c(F)cccc3Cl)C(=O)C2)cc1 1854038402 PXEDAYZAQCNIOF-UHFFFAOYSA-N 449.891 2.343 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)Cc4ccsc4)C(=O)C3)C2)c(F)c1 1854319002 MPPXOKKIRZGTGA-LJQANCHMSA-N 426.517 2.247 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCC3)C2=O)CC1=O 1855619664 SUVZKUBQTLGENH-MRXNPFEDSA-N 426.542 2.138 30 10 IEEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cc(Cl)ccn2)CC1 1855858255 XAPQDKMOANNVFS-UHFFFAOYSA-N 444.900 2.389 30 10 IEEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CSc4c(cccc4OC)C3)C(=O)C2)C1 1856837116 ICBGPNSAWPHXNA-MOPGFXCFSA-N 429.586 2.281 30 10 IEEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1 1857019786 CSPJJGFTFOQMIG-MSOLQXFVSA-N 434.558 2.275 30 10 IEEE COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)[C@@H]3C)c2)cc1 1857117134 CUMVFPWDCYEUIQ-HNNXBMFYSA-N 427.482 2.024 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2C(=O)O)c1 1862701709 LOGMLYMANAHKRT-LJQANCHMSA-N 438.436 2.108 30 10 IEEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(c3nnc(C)n3C)CC2)n1 1868266884 DDWJNFRWIVZCQP-UHFFFAOYSA-N 433.520 2.044 30 10 IEEE CCOc1ccc(-c2nc([C@H](C#N)C(=O)CN3CCN(CCO)CC3)sc2C)cc1 1872799764 KEDYFQZUAXUUBY-LJQANCHMSA-N 428.558 2.303 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900466826 LVRAMFYTJXDBKJ-LBPRGKRZSA-N 425.360 2.333 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2009979857 ODXXOUPGKCXEPY-LSDHHAIUSA-N 441.525 2.167 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2015024129 OYNDVAANCCWGNC-SOUVJXGZSA-N 441.525 2.425 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2060769155 GWGPAKQFZMSNQS-QZTJIDSGSA-N 432.370 2.446 30 10 IEEE CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)NC[C@@H](O)COc2ccccc2)c1 2069681939 VWLDVMNVLQZKEK-QGZVFWFLSA-N 446.529 2.061 30 10 IEEE C=CCn1ncc(NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c(Br)c1=O 2106032187 GKTOQKVMLVOAFC-LBPRGKRZSA-N 431.331 2.222 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2224134953 AAJHHBHTGVMRIO-OIISXLGYSA-N 433.358 2.457 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243425387 KNMMPCZINRQDHZ-UHFFFAOYSA-N 437.305 2.132 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247862230 WQSTUNRAHREQCF-CYBMUJFWSA-N 440.371 2.005 30 10 IEEE C=CC1(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247906468 NSUQPWXHPFRJOL-UHFFFAOYSA-N 435.355 2.348 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@]2(CCCOC2)C1 2255593828 DYYJQTVPAWCTDO-OPAMFIHVSA-N 434.342 2.296 30 10 IEEE CC[C@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2255609358 GFUGIHRWQQCRMV-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2255619980 UVRHSECFXVTBAA-BQJWPVKWSA-N 436.358 2.155 30 10 IEEE Cc1cc(S(=O)(=O)NCCNOCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2255747861 SKGWPOMUQCOQEC-UHFFFAOYSA-N 446.378 2.294 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255877758 MQHKCXNUGQVVAU-GJZGRUSLSA-N 431.342 2.271 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)cc2)OC1(C)C 2256887173 QGNFNOVXCOZGCA-LJQANCHMSA-N 425.290 2.386 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130920 UWZAAGJCMINASF-CABCVRRESA-N 448.373 2.143 30 10 IEEE CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267181415 RXZWENYYTFWSJY-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267186640 MKQQCQVTYDVGPB-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267282025 ZGPFHHAGTPGROE-YLJYHZDGSA-N 436.365 2.416 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267491661 GWZRKETZLULEMH-HZPDHXFCSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267519240 GIJJMTBWBJKEGZ-DZKIICNBSA-N 446.357 2.227 30 10 IEEE Cn1cc([C@@H](O)[C@@H](N)C#Cc2cccc(Br)c2)c(I)n1 2296228735 BRIQPIUZCWXHEX-QWHCGFSZSA-N 446.086 2.200 30 10 IEEE C[C@H](NC(=O)C#C[C@@H](C)NC(=O)OC(C)(C)C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2302425080 CKKFWZKGZUKOHO-CVEARBPZSA-N 439.553 2.170 30 10 IEEE COc1ccc(C=NNc2cnn(C)c(=O)c2Br)c(Br)c1O 2322668115 OANLOITZBUQFHB-UHFFFAOYSA-N 432.072 2.466 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334262104 WBBQPGYQKVAPQF-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337196772 OWTOPLYFUTXEQB-HKUYNNGSSA-N 438.381 2.217 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1OC 102534557 AYIGDRBDFIOULK-GOBJLOIFSA-N 425.485 2.472 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 301348520 LPBYVROVFCDORK-UHFFFAOYSA-N 428.558 2.071 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 460580923 GBVMQIWIMKDTNL-GOSISDBHSA-N 437.566 2.095 30 10 IEEE Cn1cc(-c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2C[C@H]2CCCO2)cn1 461178936 KUBYQPYCPYIVMB-HXUWFJFHSA-N 432.532 2.446 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)cc2C1=O 464520835 GOYNBHSQZXTFAJ-LMNJBCLMSA-N 429.476 2.355 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cc(S(C)(=O)=O)cs3)c(C#N)c2N)cc1 502226238 LFFKWFRRZUWKOX-UHFFFAOYSA-N 443.554 2.462 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 506208692 IUHLARCFEDBMJC-QHCPKHFHSA-N 428.533 2.103 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCN(C2CC2)CC1 508723520 JPHAJAXYWXIXOO-UHFFFAOYSA-N 442.589 2.200 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 508915805 ZCRDDSUVNCKGPM-INIZCTEOSA-N 425.942 2.087 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1 510131570 FBWSJKMLUOATTD-UHFFFAOYSA-N 438.488 2.341 30 10 IEEE CN(CCN1CCN(Cc2ccccc2)CC1)S(=O)(=O)Cc1ccc(C#N)cc1F 510419800 ANJAYLGILFEOQL-UHFFFAOYSA-N 430.549 2.277 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3cc(C#N)ccc3C)CC2)c(OC)c1OC 524450889 LVHRMXKNCBDYFM-UHFFFAOYSA-N 445.541 2.399 30 10 IEEE N#CC(C(=O)c1cccc2c1OCCO2)=c1sc(=Cc2ccccc2)c(=O)n1C1CC1 538978319 GXQJUTFBALXAFB-UHFFFAOYSA-N 430.485 2.402 30 10 IEEE C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 539691298 YTEYHDPDAWLTET-UHFFFAOYSA-N 439.859 2.432 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 541934738 SHGMSOBHRRCURC-JXFKEZNVSA-N 427.567 2.101 30 10 IEEE CN(C)CCn1cc(NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cn1 585759086 VDUPHSYUHSRRNE-UHFFFAOYSA-N 448.531 2.377 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c(F)c1 586860217 XILQWJUNRBGVFY-OAHLLOKOSA-N 445.292 2.471 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccccc1C#N 604001848 VXPCPAUOLGLZJZ-UHFFFAOYSA-N 448.935 2.453 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 618786460 RLLDQVJXDCZWEE-PKOBYXMFSA-N 428.514 2.368 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 670208265 JSEDRTNIYPZUKV-KRWDZBQOSA-N 444.517 2.194 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccoc3)c2=O)cc1F 727416156 HZURPDUNWNGFRA-UHFFFAOYSA-N 425.485 2.215 30 10 IEEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 728768712 KFBHAVWPNYNVHL-LRDDRELGSA-N 432.452 2.392 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cccs2)C1=O 730144491 NSQRJHNDEAAHLV-QAYQYMSWSA-N 445.614 2.254 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)o3)c2=O)c1 743727619 CZNHYMBXLAJKBL-UHFFFAOYSA-N 425.469 2.217 30 10 IEEE CN(C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C1(C#N)CCCCC1 749288284 DDGDGIDROKDVNU-HNNXBMFYSA-N 439.559 2.129 30 10 IEEE C[C@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)NC1(C#N)CCCCC1 750421963 SKFLULXDNFXZHD-LBPRGKRZSA-N 447.293 2.313 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(Cc3ccccc3)c2=O)c[nH]1 753359202 NZYGCIGIACGVOH-UHFFFAOYSA-N 449.532 2.191 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1CC[C@@H](C(=O)O)O1 757488330 ZHJIMCWUPCFFIN-ZHRRBRCNSA-N 448.475 2.277 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 763607982 VIQWEQJYUNDKGD-IXDOHACOSA-N 443.552 2.214 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C[C@@H]1CCCO1 763703664 AYYRKYOFVZMMAS-KRWDZBQOSA-N 426.477 2.494 30 10 IEEE COc1cccc2c1nc(NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)n2C 771648445 UNZDBJICSCNQRT-LBPRGKRZSA-N 427.486 2.038 30 10 IEEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1)[C@H]1CCS(=O)(=O)C1 774166676 SSYQJRLEOFTAEG-KRWDZBQOSA-N 441.594 2.436 30 10 IEEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780050211 LZPNENSZZYYGII-GOSISDBHSA-N 434.496 2.138 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCO1 790862640 KHMDTSIWEVHZTG-GUYCJALGSA-N 427.498 2.141 30 10 IEEE Cc1onc(CC(=O)NC2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 794991517 LEWLWBQAOJMTQA-UHFFFAOYSA-N 431.537 2.377 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)[C@H](C)n3cnc(C#N)n3)cc2)cc1 798351879 FVUBOYWENDHHQV-HNNXBMFYSA-N 425.470 2.450 30 10 IEEE C=C(C)Cn1c(SCC(=O)OC[C@H]2CCN(S(C)(=O)=O)C2)nnc1-c1ccco1 801287552 CDARQOKKECSECY-AWEZNQCLSA-N 440.547 2.031 30 10 IEEE C#CCN1CCC[C@@H]1COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 810573334 PYLNTUKWFCDOBI-DBWSWABZSA-N 444.531 2.107 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(N2CCCNC2=O)cc1 812942024 PKWWNMPHFXXFNC-QGZVFWFLSA-N 433.516 2.466 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)cc1 814319356 ZHPWNAVRXXZINI-OEBSBLQASA-N 442.545 2.169 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1nnnn1-c1ccccc1 841854459 DHDMUFFHVZRAJR-UHFFFAOYSA-N 436.375 2.489 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)cc2C1=O 854382613 GJOSWCDFPYOCMN-GFCCVEGCSA-N 434.404 2.228 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccccc3Cl)n[nH]2)cn1 1084195381 LEIXGUKSOWAHSW-UHFFFAOYSA-N 448.940 2.156 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2csc(I)n2)c1 1125505463 NMZZRBLBMLDHBE-UHFFFAOYSA-N 425.251 2.122 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)n[nH]2)c1C 1136316053 QCRTVWSDYWMQMG-MRXNPFEDSA-N 434.566 2.010 30 10 IEEE C[C@H](O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1F 1144795359 WXUSQBDWJYVSED-YCRPNKLZSA-N 445.516 2.336 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)OC 1155780014 WWLBWYPCZIZSIE-RTBURBONSA-N 445.516 2.464 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 1159749702 CBTWAAQXTJJKAZ-PIIMJCKOSA-N 435.546 2.088 30 10 IEEE C[C@@](O)(CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 1178259720 BWQYYTFFGGQKMK-JOCHJYFZSA-N 447.532 2.449 30 10 IEEE CCC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1189922271 SDUINTXUELIAKF-UHFFFAOYSA-N 441.509 2.063 30 10 IEEE COc1ccc([C@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)cc1F 1196614657 PIFAGAAPDMGLIL-KRWDZBQOSA-N 427.480 2.141 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC2)CCN1C1CC1 1261880099 PSTXIVATUUAADZ-FUHWJXTLSA-N 426.496 2.209 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1286350251 XZHIHDOHQUWGNH-UXHICEINSA-N 443.573 2.148 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1286394947 QGWQHINYZYZINE-IRXDYDNUSA-N 438.619 2.432 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCN1CCCS1(=O)=O 1286456871 YQDCSJKABWEKJP-UHFFFAOYSA-N 442.520 2.088 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCOC(C)(C)C1 1286463769 STRYKQFYBAZNBY-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1286709631 ACHMQOBQAPTCDW-NRFANRHFSA-N 438.576 2.453 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286787526 VXCXMBXKWDJVNV-UHFFFAOYSA-N 434.500 2.358 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOC[C@H]2C)C1 1286808297 VGQXSCXETVJRDG-TZIWHRDSSA-N 441.576 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2F)CC1 1286818088 TZQVVWSDJQQIHE-INIZCTEOSA-N 436.557 2.253 30 10 IEEE CC(C)CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287855424 ZQMCOUCXJJUCEQ-QZTJIDSGSA-N 431.610 2.185 30 10 IEEE N#Cc1c[nH]c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ccc12 1290271533 MVYBWXSWUHMPMX-UHFFFAOYSA-N 430.436 2.464 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1293808777 HFNPLFVCROQVPB-HSZRJFAPSA-N 433.516 2.024 30 10 IEEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cccc(CNc3ncccc3C#N)c2)C1=O 1294363407 AYJPSZZDCLQUAJ-JPYJTQIMSA-N 432.484 2.016 30 10 IEEE C#CCN(CC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1295828876 MVPPUJPNBCQIJN-LJQANCHMSA-N 435.952 2.388 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1298019611 HOYGNVAKJPMOMM-FQEVSTJZSA-N 446.515 2.134 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1ccn(C)n1 1300271603 IICXNYFQBKTTCX-OAHLLOKOSA-N 425.924 2.296 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300315112 QOAITRYPNVLIIM-CQSZACIVSA-N 446.577 2.385 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1300353383 JMROXCRFFIHNLX-MOPGFXCFSA-N 426.565 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1300727307 WETNCWDDYRVDKG-DNVCBOLYSA-N 440.548 2.156 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300762914 RSBVWGUTRJYTHV-QGZVFWFLSA-N 434.587 2.188 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300875933 QREHRLOIWCTBPM-FKVLARQCSA-N 444.624 2.372 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1300892952 WRVHWCNJSLNOLA-CBQOVEMMSA-N 441.580 2.178 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1300949078 PJQAAHZMGVTIIS-GOSISDBHSA-N 428.512 2.275 30 10 IEEE C=C(C)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300969952 FJHURGLRHMPUSN-YLJYHZDGSA-N 426.583 2.298 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301585231 IWMHLOOIBUWPLX-UHFFFAOYSA-N 432.594 2.486 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 1302921645 NXCJVDDRMVLMSK-UHFFFAOYSA-N 435.590 2.213 30 10 IEEE N#C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)C1 1303428060 GUJYNTWCOCBUBJ-ZDUSSCGKSA-N 425.470 2.445 30 10 IEEE Cc1occc1CN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1304092075 PSFACJYRCIKBJV-DQRAZIAOSA-N 447.499 2.328 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1304967529 DACUKBQZAPDCKZ-MCQGMECGSA-N 435.532 2.415 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@H](C(F)(F)F)O1 1305153860 GBJXRJZBTOMYTC-RRQGHBQHSA-N 437.422 2.388 30 10 IEEE CCC[C@@H](C)C(=O)NCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1312739350 GYLQPXAXVWYWOW-QGZVFWFLSA-N 437.548 2.332 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C12CCC2 1314254704 KKEPEDVZZXUVQJ-GPASRXLFSA-N 428.537 2.151 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1 1316086436 OZNOQUWHQDJDBX-UHFFFAOYSA-N 447.499 2.454 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)cc1 1354105080 UGXLIORIRMAONW-UHFFFAOYSA-N 425.551 2.142 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)Cc2ccccc2C1 1358937210 MEDQVMIZLWNRGC-UHFFFAOYSA-N 429.528 2.094 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCn1cncn1 1358973044 CKMRWJJRIWOBGV-UHFFFAOYSA-N 427.468 2.482 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1359000705 CJECESOSQPRBEP-XMMPIXPASA-N 439.560 2.437 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1359002920 RSKYWPHJEITWBB-OXQOHEQNSA-N 444.532 2.482 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1359004242 OVVDVTOLHSMMSO-UHFFFAOYSA-N 437.953 2.102 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359060166 MTJQLDFENAKSKG-ROUUACIJSA-N 428.514 2.380 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1359069924 BKTZZEXKBDZQGP-SIKLNZKXSA-N 428.558 2.367 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359127942 FHDBZAILDMEAES-JXFKEZNVSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1359303303 JNSLXOJWYPDPSN-UHFFFAOYSA-N 436.516 2.042 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCC(C)C)CCO1 1359446649 GKKIYXZXXRHCQM-NRFANRHFSA-N 440.548 2.221 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC(=O)N1 1359558825 TUCGGYIVYMSBTM-SJORKVTESA-N 443.552 2.369 30 10 IEEE CC(C)(C)[S@](=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1359588875 AMROSXGQBZGJEY-WTSXDXBNSA-N 445.545 2.067 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C 1360655809 KYFUTTCIQLXKCT-QAPCUYQASA-N 446.577 2.211 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1440681319 GADVEYGQTNWOOB-HXUWFJFHSA-N 449.446 2.396 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](CO)Cc3cccnc3)C2)C1 1449037859 ARWXTUDKXOZXNG-VITVIVDCSA-N 428.533 2.136 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1492901360 IFRSKZQNAWOFCD-QZTJIDSGSA-N 441.555 2.423 30 10 IEEE CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1501426553 FWHUSWVEMMGQEB-NRFANRHFSA-N 445.527 2.192 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)C[C@H]1OC 1505123854 GDXUMDCHAGFWNC-CALCHBBNSA-N 425.518 2.069 30 10 IEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1507638877 TVXNUZSAVDDKQT-BZSNNMDCSA-N 438.594 2.065 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC[C@@H](O)C1 1507708102 HQGXJEAWBURQLE-PKOBYXMFSA-N 426.517 2.353 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1507784204 HJJUXAAZVQVERG-BBRMVZONSA-N 433.372 2.094 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1507848031 UCNKVYIKFOMBAI-PMACEKPBSA-N 430.553 2.117 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507967499 KOLRDMLCBGQADY-HBMCJLEFSA-N 433.597 2.312 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](OCC(C)C)C1 1508084300 LOCOYKIOVBOGSQ-IBGZPJMESA-N 437.548 2.070 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1508088609 CKACGFRAJOQXGM-UXHICEINSA-N 425.533 2.225 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1508131322 LNSYEUYPAPOYNU-INIZCTEOSA-N 441.598 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](COC)C1 1508140964 KPBORLKWLPPDKX-ZWKOTPCHSA-N 426.583 2.026 30 10 IEEE CC(C)CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCN2C1=O 1509402614 CKAAZCSVOFSWML-LJQANCHMSA-N 437.548 2.170 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)CC2)C1 1514850894 FFKZWYLJNGREMA-NRFANRHFSA-N 437.592 2.317 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1515312387 CPACLCMVYVKCJF-LJQANCHMSA-N 426.521 2.212 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)cc1 1515364677 GTAZEXCAORWWDY-UHFFFAOYSA-N 436.331 2.430 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 1527273646 GDMKIZQIXOQKKV-OBJCAVIQSA-N 432.546 2.133 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 1528591794 KUIQOYDTOPVHPM-QGZVFWFLSA-N 439.534 2.172 30 10 IEEE C=CCc1ccc(OCC(=O)NCc2c(I)cnn2C)c(OC)c1 1533063210 ROQNWMUTEWLYTB-UHFFFAOYSA-N 441.269 2.457 30 10 IEEE C#C[C@H]1COCCN1C(=O)Cc1ccc(I)c(Br)c1 1535553071 PXBNHFCSSUJZRD-NSHDSACASA-N 434.071 2.457 30 10 IEEE C#CCN(C(=O)c1cc(OC)c(OC)cc1I)C1CCN(C)CC1 1536123010 IFZZMUCBMXISSK-UHFFFAOYSA-N 442.297 2.478 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)[C@H]1c1nccn1C 1536356686 UTDXZEVXUYYDLU-XIRDDKMYSA-N 435.406 2.108 30 10 IEEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1536709635 UTHAPRLHEQCBEN-HXUWFJFHSA-N 449.866 2.110 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539210835 GSVXVBXBZXXSMP-QGZVFWFLSA-N 432.521 2.138 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539224430 GWTJHYCGKFXGQV-UYAOXDASSA-N 447.649 2.368 30 10 IEEE C#CCN(CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)C(=O)OC(C)(C)C 1539394839 OTGMWLLLPSKRLK-UHFFFAOYSA-N 443.500 2.463 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1539649887 FIVFEQXJRRJAGW-OAHLLOKOSA-N 435.550 2.110 30 10 IEEE C=CCNC(=O)Cn1c(N(C)C2Cc3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540875602 QZJMHWQJZFXQKD-XMMPIXPASA-N 439.560 2.225 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540897482 KFKCTABOIFWLKG-UHFFFAOYSA-N 449.577 2.303 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(C)C)C1 1541710950 FPJMYRJQEIBMFZ-IBGZPJMESA-N 446.577 2.006 30 10 IEEE Cc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1542349649 IVQSAZBAYJQZKE-RDCVWBNRSA-N 428.518 2.315 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1547031426 FDIMIHPGGMOIAH-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CC[C@H](CO)O2)cc(OC)c1OC 1554733402 KPGKHWIZKANWSI-BHYGNILZSA-N 445.520 2.249 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1[C@@H]1C[C@H]1CF 1555660476 DDGSLFJXMKZVGV-RYQLBKOJSA-N 429.500 2.126 30 10 IEEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 1555820610 FEIAIPWGTWNVAH-DHMKHTPVSA-N 439.463 2.495 30 10 IEEE Cn1cc(CNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)c(-c2ccc(C#N)cc2)n1 1556163156 ROTXIKRBZIMNLB-UHFFFAOYSA-N 430.493 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1[nH]cnc1CCN2C(=O)CC1(C#N)CCOCC1 1557595514 XUTNLVCZYDUEPX-JOCHJYFZSA-N 429.521 2.341 30 10 IEEE CN(CCc1ccccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)OC(C)(C)C 1585297408 UBUURVHFZVGFOZ-XUTLUUPISA-N 442.516 2.352 30 10 IEEE CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c(F)c1 1587407887 FZABNHUVKVQSGT-UHFFFAOYSA-N 447.463 2.427 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1589042871 QDNFJWUDKBICBW-SFHVURJKSA-N 438.557 2.422 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1589608719 MSLLALZCNWXEIP-UHFFFAOYSA-N 437.342 2.297 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(I)ccc1N1CCOCC1 1598174519 LYLUKNRYIAKANW-GUYCJALGSA-N 442.297 2.449 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)C1 1607582244 OJNZJRXFEKVYQE-IRXDYDNUSA-N 443.552 2.101 30 10 IEEE CC1=C(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1611833598 YKNSCBFIWZTXJL-UHFFFAOYSA-N 426.546 2.399 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)N(C)[C@@H]1C 1614400945 JDAYEHRXAGSBCP-YHHLURLMSA-N 441.575 2.211 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ncc(Br)cn3)CC2=O)cc1Cl 1618434654 SOQKDBOYNTVPJM-LLVKDONJSA-N 434.681 2.433 30 10 IEEE CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1(C)C 1618488393 LKCRWKKFMNASCG-FQEVSTJZSA-N 429.613 2.328 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(COc2ccccc2F)nnc1N1CCCC1 1620385314 VLOAWJJTMBUKRK-VXPUYCOJSA-N 426.452 2.123 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1622506674 VITKMMVKIDYUQE-MRXNPFEDSA-N 433.571 2.050 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)cc1S(=O)(=O)NCC#N 1626209604 ALHAYSZVOPAENW-UHFFFAOYSA-N 434.493 2.129 30 10 IEEE CC1(C#N)CN(C(=O)[C@@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1635517325 ATWYFEYXHIFGAA-HXUWFJFHSA-N 432.480 2.141 30 10 IEEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636303957 DKWAQJQBIFBVMJ-SJLPKXTDSA-N 435.565 2.077 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCc3c(sc(N)c3C#N)C2)c(OC)c1 1636714542 WAPIYKJVCJRIIH-KRWDZBQOSA-N 440.525 2.409 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)C1 1638018877 MIQZGKLRZLLFNV-UHFFFAOYSA-N 432.454 2.434 30 10 IEEE COc1nc(N2CCN(C(=O)NCc3ccc(C)c(C#N)c3)CC2)ncc1Br 1638299427 SLGHIDKXRNZOHO-UHFFFAOYSA-N 445.321 2.460 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC(O)C1 1638358059 LLUQISOKKFBRKV-UHFFFAOYSA-N 429.452 2.487 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 1639274284 KBEGYUIVNVKXTQ-UHFFFAOYSA-N 427.454 2.183 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@H](CO)Cc4cccc(F)c43)C2=O)cc1 1639583776 KCGMCCLMBIHREN-BEFAXECRSA-N 436.443 2.100 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1643888204 IUYNIXNIHIKJBW-LJQANCHMSA-N 427.526 2.468 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)s1 1648166202 GBMMFCROBMZYEH-UKRRQHHQSA-N 443.591 2.127 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3c(C(=O)OC)ccc(OC)c3C2)c1 1651290040 GYNGFTNTQJNAFX-UHFFFAOYSA-N 441.505 2.477 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)N(CC)[C@H](C)C3)nnc12 1654697947 GRDOMNMSIKPUHK-IYBDPMFKSA-N 440.573 2.263 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)c1 1657420437 YZEDRYSDJCNWPR-OAQYLSRUSA-N 446.525 2.382 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)CC1 1672984689 ZWHLMCMMGZJDHM-YJBOKZPZSA-N 430.480 2.366 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([C@@H](C)CC)cc3)CC2)nn1 1673802636 HZJCQSZDDMSDLA-KRWDZBQOSA-N 446.577 2.194 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1683313367 GXDWABWGHUONIL-CKOFKNITSA-N 437.537 2.065 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 1684083049 NZVKPFYRIDMHCU-HNNXBMFYSA-N 425.396 2.435 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 1684781648 QFLQZBIOCZPGLW-KBPBESRZSA-N 446.451 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1690032755 IJXFJDZEYHYLIR-QGZVFWFLSA-N 449.490 2.173 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1690122026 CDEZKNFWYVHPTB-SFHVURJKSA-N 446.477 2.360 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690464942 NROKCVGHFBKIAT-OTWHNJEPSA-N 439.626 2.082 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690675068 ORTNRZHQOSATBS-QUCCMNQESA-N 443.548 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](SCC)C1 1690724292 LOHFYKUPCFRALT-IAGOWNOFSA-N 428.624 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@](O)(c3ccccc3F)C2)nnc1C(C)(C)C 1690732318 ZMEPYDMDVPEUPJ-OAQYLSRUSA-N 436.553 2.413 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690738499 PAOCUMSAKQQEKV-INIZCTEOSA-N 436.607 2.025 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1Cc1ccc(C(N)=O)nc1 1705502196 SSLHNMDRFGXWGP-MRXNPFEDSA-N 434.500 2.256 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)cc1OC 1705580280 HJBAFKLJHAGGDF-UHFFFAOYSA-N 447.495 2.339 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)CC)CC1 1705649214 PJFFKBZXCDFTCG-HSZRJFAPSA-N 425.533 2.081 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705662861 NYUABKTVKYXHFS-FOIQADDNSA-N 433.603 2.384 30 10 IEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705724292 DLAPOCBKOGASOJ-LBPRGKRZSA-N 440.426 2.087 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705735880 XUYHWZCLMXELME-AEFFLSMTSA-N 449.577 2.220 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1705873590 ORJFPHAZRUYAPM-QGZVFWFLSA-N 435.532 2.493 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1706169446 PUKFZXILMFHKIV-DLBZAZTESA-N 434.541 2.206 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706328800 JUCLDSJYISJNRU-OVGZCAFISA-N 428.537 2.181 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1710704968 RVFDBMZSXYJMJW-OXQOHEQNSA-N 426.512 2.301 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)COCCO1 1712452774 PBNXFLSYGKMKNB-HXUWFJFHSA-N 430.465 2.025 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1712565046 AQYPIVNMFYGKRE-ZBFHGGJFSA-N 437.447 2.088 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1712594549 PKLCOGVSPZBIQU-OAQYLSRUSA-N 441.532 2.254 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365838 FPBVMXRSGCILRF-NFBKMPQASA-N 442.585 2.470 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722410264 YGKHUXPEXRKDMA-IBGZPJMESA-N 433.560 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1nc2cc(OC)ccc2n1C 1722425910 QGRONCCHSRFXMX-UHFFFAOYSA-N 445.527 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnccc1OC 1722447380 LUVBHZXHRURGNS-UHFFFAOYSA-N 445.483 2.132 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722533338 OUTJULAPCOPIDF-FQEVSTJZSA-N 447.967 2.456 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722542484 BQNKNIHEZCBWBI-OALUTQOASA-N 441.020 2.359 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1722671152 KCQDYQNDYGATJZ-HNNXBMFYSA-N 434.342 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722697319 ZRPRQNUDOBTKFX-UHFFFAOYSA-N 428.928 2.277 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)Oc2ccccc2C)CCOC1 1728815752 FLGASQGWIADAKE-SFYKDHMMSA-N 441.532 2.435 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@H]1CCOC1 1740538496 HJADRKSDZYMHIJ-ZWKOTPCHSA-N 446.573 2.250 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740626408 AUVIKYQLTMAUPJ-RBUKOAKNSA-N 432.521 2.138 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1740662610 VHUMOLSSKAJAOP-INIZCTEOSA-N 428.562 2.494 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCC1 1740673926 MXLLZCABBHONIZ-UHFFFAOYSA-N 430.622 2.222 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740712592 NBTXHOHEACTNHN-SFHVURJKSA-N 435.513 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCC)c1 1740723274 MRQPHFSGXPWXSQ-XMMPIXPASA-N 434.544 2.304 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740867753 UVNMWSHLYXOLPL-MSOLQXFVSA-N 425.537 2.049 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1741001601 YOTGYQHHSKICQA-HXUWFJFHSA-N 434.654 2.306 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1(C)C 1741713914 IXLHUTLCZUPNMY-UHFFFAOYSA-N 446.577 2.435 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1 1747404596 FWOOKIRMNYGHJQ-MJGOQNOKSA-N 431.562 2.239 30 10 IEEE CN(CC1CC1)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1747818626 QXXJMRWFUKLLFH-ZPHPHTNESA-N 427.896 2.366 30 10 IEEE COc1ccc([C@@H](C)CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1748594192 FYHBVSXTPJCALM-FXAWDEMLSA-N 438.532 2.445 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNS(C)(=O)=O 1748834617 QYFVQBJMKGFOAH-UHFFFAOYSA-N 440.356 2.264 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCc2ccccc2C1 1748875243 OQRZWIHAXVXAQY-OAQYLSRUSA-N 444.583 2.424 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)C2CC2)CC1 1748977015 CBKOLKKHMMBYMG-GAJHUEQPSA-N 427.524 2.473 30 10 IEEE C#CCSCCn1c(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)nnc1C(C)(C)C 1749049649 NCOKTLZEZMSOEP-INIZCTEOSA-N 439.593 2.095 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749210139 CSPOPQINRGUTNO-MSOLQXFVSA-N 425.599 2.389 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749276308 HXECYWHRRRVWLF-UHFFFAOYSA-N 429.999 2.449 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749449328 LEOAMLLATQTLQH-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCOCC2)C1 1749717403 KTKQOISIHDMIHA-FQEVSTJZSA-N 443.596 2.032 30 10 IEEE Cc1ccccc1-c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751663695 FCALZMZTWBGJQM-QUJGFWOXSA-N 436.516 2.394 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1760165487 ULDJJYQICHSWCH-LNVKXUELSA-N 441.495 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(N2CCCC2)CCOCC1 1760221068 ZLPYCUAJOWPHTE-UHFFFAOYSA-N 432.572 2.372 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C1 1760549914 ORYMAWVLOOCQKG-LJQANCHMSA-N 443.573 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1O 1760556676 MMPMHFFAENKPOA-UHFFFAOYSA-N 427.530 2.207 30 10 IEEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1761326364 FUUJCFGVDDYKKK-UHFFFAOYSA-N 448.618 2.476 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCCO2)n1CCCCCO 1763044640 RMLKZSOMRNHBJF-IEBWSBKVSA-N 440.552 2.059 30 10 IEEE CCCN(CC)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1765994953 MXCQNGZTRBFNRZ-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1C[C@]1(O)CCO[C@H]1C 1769822351 CQIHKWRXYATZKC-GAJHUEQPSA-N 425.533 2.295 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCSCCCO)c1 1771530223 FCILEDVRPSEVBW-OALUTQOASA-N 440.573 2.180 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCc2ccco2)cc1 1771535082 XTVHWFXFXHVCCZ-JOCHJYFZSA-N 449.446 2.080 30 10 IEEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772790690 GESRSVCPFPEAQG-HXUWFJFHSA-N 445.790 2.001 30 10 IEEE CN(C(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1)[C@H]1CCS(=O)(=O)C1 1850951666 AVGWKFVHEKWSLG-KRWDZBQOSA-N 430.505 2.107 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2ccnn2C)CC1 1854434490 DAZUQGGVFISBOJ-UHFFFAOYSA-N 428.514 2.271 30 10 IEEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856544422 LNWPTYLYRMRFFO-ICSRJNTNSA-N 437.606 2.140 30 10 IEEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1857225146 YAWPVGKLMFDLAO-QZTJIDSGSA-N 430.574 2.252 30 10 IEEE COc1cccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c1 1870146969 QXQIFMFAVCTGFH-UHFFFAOYSA-N 445.527 2.471 30 10 IEEE C#CCOc1cn(CCCN2CCCC2=O)c(CNc2cccc(NC(C)=O)c2)cc1=O 1871003517 JMZIQVAGHJXHKQ-UHFFFAOYSA-N 436.512 2.443 30 10 IEEE O=C(O)Cn1cc(/C=N/n2cnnc2SCC(=O)NCc2ccco2)c2ccccc21 1873504638 FDXBLPXUZGNKCP-LIMNOBDPSA-N 438.469 2.201 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(Cl)c3Cl)CC2)CC1 1890975355 UDIMCMZKSQEIDK-UHFFFAOYSA-N 425.360 2.260 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2014242631 HPHSCLOXLOAETP-OAGGEKHMSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2063353175 KRUABJPPUQHBEC-RTBURBONSA-N 432.370 2.446 30 10 IEEE C#CCN(C)C1CN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2071162606 MFFVBEXMZHLXLE-UHFFFAOYSA-N 440.588 2.322 30 10 IEEE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778552 RBAGSHQUHJNOIU-RYUDHWBXSA-N 445.188 2.155 30 10 IEEE Cc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2232308164 UMWATVGRKPCTKI-SZMVWBNQSA-N 445.369 2.418 30 10 IEEE COC1(CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OCc2ccccc2)C1 2243379161 GAAGKSDUTXZCJC-UHFFFAOYSA-N 442.321 2.165 30 10 IEEE C[C@@H](CN(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243422536 HEMGSJLJAXPOIG-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255601677 HUPFMCFYCAYWKD-KBPBESRZSA-N 434.346 2.179 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)OC1(C)C 2255950908 WEFAYIFQWOKVPC-UHFFFAOYSA-N 442.390 2.492 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]12 2256620531 JSJBMFCAHXAMSG-ZMOMAAQPSA-N 449.382 2.362 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC1CC(NC(=O)OC(C)(C)C)C1 2257493095 PBNXEHYWXFUZET-UHFFFAOYSA-N 431.342 2.475 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2267244370 JGOUQRSKYUOZEI-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267270836 NYVLJZVLTINROO-QHCPKHFHSA-N 446.353 2.088 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCC4(C3)OCCO4)c2)OC1(C)C 2267376806 ABMPLBOSHYPRPT-CQSZACIVSA-N 429.369 2.011 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2267549684 OLYDLCRMOVUAPH-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE Cn1nc(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267550521 AOOPXJXVLDBTMK-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880598 VAOCIFSVFPYCRN-LSDHHAIUSA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268700591 VXOXJBKAMDGCOU-WMZOPIPTSA-N 446.353 2.142 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3nncs3)cc2Cl)OC1(C)C 2282827591 AKAUWRSPLCHRNF-UHFFFAOYSA-N 435.789 2.073 30 10 IEEE C[C@H]1CC[C@H](C2OCCO2)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282858590 ZKIGGFUIYNMNSB-DZGCQCFKSA-N 443.396 2.209 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)cc1 2296548888 WPEHRIYYUULCFZ-OAQYLSRUSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2337068147 WLQCBLRRJWXQEX-UHFFFAOYSA-N 449.357 2.070 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)n1C 2337327345 FHQCDDRXLXYMNU-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] 20915330 ZZAZITYKDYMUAY-RGVLZGJSSA-N 442.461 2.173 30 10 IEEE COc1ccc(-c2nnc(N/N=C/c3cc([N+](=O)[O-])c(OC)cc3OC)[nH]c2=O)cc1 169899033 UIYOKVDXGRRMRM-KEBDBYFISA-N 426.389 2.212 30 10 IEEE CC(C)(C)OC(=O)N(C[C@H]1C[C@H](S)CN1C(=O)OCc1ccccc1)S(N)(=O)=O 381798187 QQSZFCYKQUSUKB-CABCVRRESA-N 445.563 2.137 30 10 IEEE CCN(CCC#N)S(=O)(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 409490732 ILSRTZGFEGIQHV-UHFFFAOYSA-N 435.468 2.435 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(Br)cc2C(F)(F)F)CCO1 409574815 JSGALVQCXLUKIO-LLVKDONJSA-N 428.230 2.027 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 460388442 OOJULSUVGSLMSZ-LJQANCHMSA-N 449.552 2.495 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 460943377 KZMNNNXJUTVTAG-LJQANCHMSA-N 431.562 2.391 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 468762096 ANLUYTIITDGVQB-UHFFFAOYSA-N 448.504 2.264 30 10 IEEE Cc1cc(N2CC[C@@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)ccc1Br 489652414 RAJAIRQANQHAGE-QGZVFWFLSA-N 449.330 2.416 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508509803 PCQWPKBOANLVAC-VQIMIIECSA-N 435.488 2.360 30 10 IEEE CCc1ccccc1-n1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516830662 BEHFQNLQPUHJAD-UHFFFAOYSA-N 447.560 2.336 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 549693611 KAQOFEBHBCXFDV-PKOBYXMFSA-N 428.585 2.245 30 10 IEEE COC(=O)[C@H]1CCCN(c2cc(N3CCC[C@H](C(=O)OC)C3)c([N+](=O)[O-])cc2C#N)C1 553071663 UPXKGBPHWOZSBI-GJZGRUSLSA-N 430.461 2.245 30 10 IEEE CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(c2cccc(C#N)n2)CC1 558872778 PVDBVQZGOLECER-UHFFFAOYSA-N 444.547 2.065 30 10 IEEE CC(C)n1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 559124931 XGQOREDVENCUDV-SJORKVTESA-N 449.515 2.144 30 10 IEEE Oc1c(I)cc(I)cc1C=Nc1cnn[nH]1 702146666 PZHLCQVUIMADAE-UHFFFAOYSA-N 439.982 2.470 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccc(F)cc2)cn1 730143745 DKJJAYYBBLUBIY-GOSISDBHSA-N 446.552 2.242 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)N[C@@H](c1ccccc1)c1cccs1 741339285 DGHKTIJWRDPPPY-VSRNGQBXSA-N 439.493 2.413 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 747253112 IRMYSHNBJWPIMB-XFXZXTDPSA-N 427.526 2.497 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C(N)=O)cn2C)n(Cc2ccccc2)c1C 756691692 PUEDBFYPJVHKDW-UHFFFAOYSA-N 433.468 2.258 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(Br)cc1Cl 769847563 AJXVCQSHZXFADK-CQSZACIVSA-N 437.699 2.192 30 10 IEEE CC(C)Oc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1C(N)=O 788841418 MFOQIYOBHAWUMG-ZDUSSCGKSA-N 444.513 2.029 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1 789154308 DYGUCXONCAFPJA-PZJWPPBQSA-N 443.935 2.300 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1c(C)cnn1C 794838101 VLJPNLLGGZZVQM-OAHLLOKOSA-N 447.586 2.480 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 795959530 IISJLUARWDKSDO-UHFFFAOYSA-N 430.845 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC(C)C 812248598 PEMNVFIXISRRLT-UHFFFAOYSA-N 425.558 2.458 30 10 IEEE CC(C)CN(C(=O)CON=Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 823434786 NXFRLSUSQGEWDY-INIZCTEOSA-N 431.352 2.471 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCNC(=O)c2ccccc2)c1 916693621 OUOGKJJDRLOBGB-PLRJNAJWSA-N 443.529 2.051 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(CCC#N)cc1 1133751081 SBXKCBBVNCGKEN-UHFFFAOYSA-N 429.498 2.425 30 10 IEEE C#CC[C@]1(C(=O)N(C)C[C@@H](O)COCCOC(C)C)CCCN1C(=O)OC(C)(C)C 1137238494 OGSSPJSALFWQPU-XMSQKQJNSA-N 426.554 2.040 30 10 IEEE CN1CCC[C@](O)(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 1141878431 WMFOLIUGRORTJT-VWXXCCROSA-N 436.578 2.065 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)NCCCC)CC[C@@H]2C)s1 1142357753 VZTJOSYUXJYGFS-JKSUJKDBSA-N 441.619 2.298 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)CCc3ccccc3)CC2)cc1 1155761382 DPEIMJAJZOLXHU-NRFANRHFSA-N 441.553 2.069 30 10 IEEE COC(=O)[C@]1(NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC[C@@H](C)c2ccccc21 1176947708 YVAMMJXUDWNCRL-JLGINSKQSA-N 426.561 2.234 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(Cc1cncs1)Cc1cncs1 1179280309 QREAVZVQNUPESH-CYBMUJFWSA-N 447.567 2.367 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(OCC(N)=O)c(OC)c1)c1ccc(Br)cc1 1222616390 ARZVSICFVOEHBQ-INIZCTEOSA-N 446.301 2.496 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1225939059 VLOHHLHHKGLIIP-KURKYZTESA-N 435.569 2.030 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CCO2)cc1 1233774280 RHFXGPJJWZAFPA-HXUWFJFHSA-N 425.464 2.212 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(C)(C)C1 1251287228 SOFGOEBMEFWGAF-KRWDZBQOSA-N 428.537 2.430 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286360404 TVWZAPDEZUZHJE-KNQAVFIVSA-N 428.537 2.044 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286380880 FBUNCCBYLDCMSX-GOSISDBHSA-N 444.948 2.007 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1286389269 HAZKINAFDBGOQI-KURKYZTESA-N 431.537 2.413 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286396073 UDXQIHONUAFLQH-SFTDATJTSA-N 442.585 2.350 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1286484125 DZYOSHYHUMZGHV-SFTDATJTSA-N 425.581 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N(C)C2CC2)CC1 1286485271 HPGLQPGFCSWDAW-HMXCVIKNSA-N 428.625 2.435 30 10 IEEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)(=O)CC1 1286714891 XNUPBHQJLIVPPS-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1286821413 KIUQTKLPFRBZSD-UHFFFAOYSA-N 437.610 2.107 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286949325 HOQBHOAEBXTPNF-OAQYLSRUSA-N 449.559 2.086 30 10 IEEE CCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1294420357 IXTUMVJDZNBONG-ICFOKQHNSA-N 448.325 2.408 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300496685 TZKWOUUDZWVAPC-DLBZAZTESA-N 434.949 2.110 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300504897 VKTFDSRYYPDPLK-XYJFISCASA-N 432.521 2.279 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300762938 SALCHNMNTUHFLW-RTBURBONSA-N 446.621 2.468 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cncn2)CC1 1301063726 ITTBLDORYJGFME-UHFFFAOYSA-N 426.912 2.310 30 10 IEEE C#CC1(O)CCN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 1301219998 UKIYQWNEOSWNHQ-UHFFFAOYSA-N 439.493 2.141 30 10 IEEE COCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301571121 FEELOCNZMVVQLS-LJQANCHMSA-N 425.537 2.192 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301615161 GWGBEBUVNLYTGQ-QFIPXVFZSA-N 439.589 2.398 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C(=O)OCC)c2cccnc2)ccc1F 1303532514 NPFDJWREWVBROV-SFHVURJKSA-N 435.477 2.061 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)cn1 1309665165 ZPZHXDSBTYALKA-UHFFFAOYSA-N 440.319 2.242 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1C[C@H]1C 1316205486 PRRJQPDCOQQUFS-LMMKCTJWSA-N 425.537 2.251 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1316532819 WGVDAIKPAXAUMB-YJYMSZOUSA-N 439.463 2.024 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCc2cnn(C)n2)c1 1358900854 UHKUEOMQTFAVMZ-UHFFFAOYSA-N 434.548 2.393 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1358916013 WVSYEYHYGQUALE-UHFFFAOYSA-N 430.553 2.119 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1358929831 IXDDRTKAZUHWGT-OAQYLSRUSA-N 441.601 2.224 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1358933919 ISJFIDNLQUUVAM-MRXNPFEDSA-N 444.561 2.398 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1358941636 RLJHGGKXZUOUJU-UHFFFAOYSA-N 430.472 2.056 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccccc2F)CC1 1359038400 VDRSYHNMHDOMNF-UHFFFAOYSA-N 438.551 2.273 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)COC)CC1 1359047841 VMSZEQFZODTWMN-IBGZPJMESA-N 439.560 2.414 30 10 IEEE C#CCSCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1C(C)(C)C 1359062050 UTPUWQJQXUTJAB-UHFFFAOYSA-N 432.638 2.077 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)c1ccccc1 1359063065 DOZAHVGAJOZMJP-JOCHJYFZSA-N 443.573 2.272 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1359158321 NENGBTDARGYSND-NRFANRHFSA-N 438.576 2.188 30 10 IEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1359210198 MKRSFNVTKGUHJV-QGZVFWFLSA-N 447.561 2.161 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1359216294 TYISYPVCDTWUSD-INIZCTEOSA-N 431.566 2.017 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359227535 DKYRLJNKVVSXMY-APWZRJJASA-N 427.505 2.050 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1359265919 OSHUFDNDNHGRLM-QUCCMNQESA-N 438.580 2.101 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359287054 JXVWUOPWZFKXHF-GVDBMIGSSA-N 430.553 2.293 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359301543 BEYWODQVRJTADG-SFHVURJKSA-N 442.951 2.026 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccccc2[C@@H]1C 1359331408 XTVAFTQMRKXFBO-INIZCTEOSA-N 426.546 2.403 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC([C@H]2CCCO2)CC1 1359333598 CSSQLJSADJYXRJ-HXUWFJFHSA-N 445.589 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)CC(C)(C)C)nnc1[C@]1(OC(C)C)CCOC1 1359335509 NFLXTONHVJEUDZ-FQEVSTJZSA-N 428.599 2.402 30 10 IEEE N#Cc1cccc(COc2cccc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)c2)c1 1464189913 SFYWHCUCIHBBTJ-FQEVSTJZSA-N 434.427 2.401 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1467992963 WHBQYRMWLQSVRZ-ZDUSSCGKSA-N 433.368 2.440 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H]2c2ncc(Br)cn2)cc1 1471995794 ZCEVFTCWKBSFHJ-INIZCTEOSA-N 449.330 2.389 30 10 IEEE CN(C)CCOc1ccccc1N1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1479158887 INLJCKYJJJPMLZ-QFIPXVFZSA-N 433.556 2.498 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccn(C)n2)cc1OC 1502816229 HWBTXWUTSWVQQN-SFHVURJKSA-N 437.504 2.057 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1507656307 VDAVYPRPWZBSTR-MYGHRHJXSA-N 445.589 2.334 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCCC1(C)C 1507680500 HWWKJJRESNUOGP-LJQANCHMSA-N 445.589 2.470 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1cccc(OC)c1 1507712137 CRQWRZIEYPUHGP-LJQANCHMSA-N 425.533 2.302 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1507885105 RSLUFQBYSKRXLT-IBGZPJMESA-N 443.573 2.087 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OC 1507973178 UXVBXGIKEZFSBZ-UHFFFAOYSA-N 442.545 2.270 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1508040208 UMMSKIOJADVBNM-HXUWFJFHSA-N 427.549 2.306 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCOCC1 1508135324 LLXFUOAAWWMLAE-INIZCTEOSA-N 438.525 2.385 30 10 IEEE CC(C)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1509517218 BLZLNFBMOHVGCA-FQEVSTJZSA-N 444.605 2.419 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2cccs2)CCOC1 1509813512 CXTCXPLQRCPFGD-TYCQWZJGSA-N 447.561 2.017 30 10 IEEE N#C[C@]12CN(C(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1537005812 MXRQWUTXDCXZLJ-APPDUMDISA-N 442.394 2.041 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1537042009 HPPKKVWAFCTMNW-CYBMUJFWSA-N 438.431 2.444 30 10 IEEE C[C@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539117690 BNIVMFABTUKAOW-MQIPJXDCSA-N 429.361 2.326 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539124679 HEVBHNRLHYMZLI-VQIMIIECSA-N 430.530 2.217 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539218643 BQWZAPSNVQCQSJ-LJQANCHMSA-N 430.574 2.491 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCCOC)CC1 1539831833 MIKYSKOJSMCKME-UHFFFAOYSA-N 448.593 2.366 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)CC1 1539890930 WBZJJAMTLVPDQB-RBUKOAKNSA-N 438.594 2.168 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1539948603 QJYOEDSPIWUTOC-VQTJNVASSA-N 436.560 2.475 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1540080754 LUZNOXBFZABLBW-UHFFFAOYSA-N 436.608 2.412 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CCCCC1 1540196242 VRNFNGJTUQAWGM-UHFFFAOYSA-N 443.596 2.353 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](C2CCOCC2)C1 1540901082 RXNOGSGBXCVTJN-SFHVURJKSA-N 433.578 2.137 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCS1(=O)=O 1541106897 CGZDMYXGVBSTOC-WMLDXEAASA-N 432.506 2.416 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1541710188 FMMPICDXUWRATR-QZTJIDSGSA-N 428.562 2.237 30 10 IEEE Cc1nc(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(C)(C)O)cs1 1542917076 YDFFWALQLIPQOX-UHFFFAOYSA-N 439.545 2.330 30 10 IEEE C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)c1ccc(I)cc1 1544337186 ODNBGAHDWQWZSD-HNNXBMFYSA-N 441.313 2.469 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1546313905 RYJNSRLJOXTTEX-UHFFFAOYSA-N 425.493 2.433 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCS(C)(=O)=O)cc1 1554975687 CELFZBGSINBNIP-OAQYLSRUSA-N 447.561 2.430 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](CC(F)(F)F)C1 1557612492 GJMQZCKSNKWMSA-HIFRSBDPSA-N 447.479 2.464 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C 1557986925 BMQXQFUJBVMKAV-UHFFFAOYSA-N 433.461 2.464 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1OC(F)F 1559940058 IGYCGUSENRYVAH-UHFFFAOYSA-N 440.428 2.478 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1568995584 WLAZXMCFMAWZRW-UHFFFAOYSA-N 434.924 2.003 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1583811746 KBZLCGOEQSZKCB-SFTDATJTSA-N 427.526 2.293 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1sc(C)nc1C 1587970364 VHHSVRHUXMLMPG-UHFFFAOYSA-N 429.575 2.429 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(N2CCOCC2)CC1 1588093386 KWQJGJLFNAVNET-UHFFFAOYSA-N 441.482 2.484 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNC(=O)C1CCC1 1588139602 PZUWNUUDPYAZPB-OAQYLSRUSA-N 433.512 2.170 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@](=O)C(C)(C)C 1588140649 ZNFBZSIRXMVZAK-ADSBAMQRSA-N 426.542 2.411 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1594942923 GYXOCCLINFWMMO-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1NC(=O)CC1(C)C 1595085255 SNCPJRMQXUVMRU-LJQANCHMSA-N 449.559 2.395 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1595561992 KFQPIGDLKZVRJE-SFHVURJKSA-N 449.534 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C=C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595830766 GKUNINQHFUKTMH-OAQYLSRUSA-N 438.594 2.322 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1595871068 FBBACSUFJOKJGQ-MRXNPFEDSA-N 439.545 2.434 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCSCC1 1602851645 ZQTCMQKAHPRYAN-UHFFFAOYSA-N 426.594 2.044 30 10 IEEE CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1611837431 KFVXBBXUCIAFQX-UHFFFAOYSA-N 446.515 2.428 30 10 IEEE C#Cc1ccc(C(=O)N2CCC(N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CC2)nc1 1618077915 MVRPYTVBYHCJDN-MOPGFXCFSA-N 440.500 2.108 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)cn1 1618421030 PNSZUZAINYPTEB-UHFFFAOYSA-N 436.520 2.318 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C[C@H]1OC 1620144396 FIWDKQXXYLMOIO-BGYRXZFFSA-N 438.532 2.069 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(C)cc1Br 1621673203 FHDWIRBMPANWOL-NSHDSACASA-N 440.768 2.222 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623849843 KUUIEKWAHAFMOP-VGSWGCGISA-N 429.521 2.064 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1624033901 ZVPPWUHSYHTAMQ-ILXRZTDVSA-N 431.455 2.162 30 10 IEEE CN1CCN(C(=O)CC2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)CC1 1627400498 FTXIQRHPHLXAEL-UHFFFAOYSA-N 439.560 2.070 30 10 IEEE C=C[C@H](CO)NC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1636088724 BETUXFAPEGRCFH-LJQANCHMSA-N 432.565 2.392 30 10 IEEE C=CC[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(=O)OCC 1638326859 XUDCZRSVTHMREZ-HNNXBMFYSA-N 436.306 2.144 30 10 IEEE C#C[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1642103374 XHFWQZKMBCKFAC-IRXDYDNUSA-N 427.309 2.123 30 10 IEEE C#CC[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1)C(=O)OC 1642411764 XDNAHFZQAJUOJG-OAHLLOKOSA-N 442.331 2.217 30 10 IEEE CC1(C)CC[C@@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)N(C(=O)OC(C)(C)C)C1 1643639333 KBALRUDJOROZGW-MJWGMMHASA-N 434.537 2.445 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1645045751 GCCAJBZBDJVZCP-INIZCTEOSA-N 430.505 2.425 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1 1649057530 UMGDPMNDPOSPAH-KNQAVFIVSA-N 426.494 2.011 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)C1 1651763386 DIHMAIXPMQTQRM-HNNXBMFYSA-N 427.364 2.450 30 10 IEEE COC(=O)CN(C)C(=O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1654967627 AFCRSHJOSSLTFU-IUCAKERBSA-N 426.304 2.111 30 10 IEEE C#C[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1665578650 FYGWLXMAMBOPHD-SFHVURJKSA-N 446.573 2.185 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 1669726046 GAIMJNKOGSBAKC-OAQYLSRUSA-N 428.510 2.125 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 1673305075 BPQLAQASOYWGQS-QGZVFWFLSA-N 445.372 2.239 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)CCO2 1674055370 KGXZWBQKMJQIEP-KWLQHXCVSA-N 440.544 2.323 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)C1 1687593518 SBDZEZNLUGHBSI-FGTMMUONSA-N 428.499 2.449 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H](C)C1 1689847302 WUZSRBBPYOTZHF-ROUUACIJSA-N 443.621 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1689853791 YLHAAZZIYUSEJM-DZGCQCFKSA-N 447.565 2.253 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1689939737 BGCJTNONDWNPMS-PMACEKPBSA-N 430.597 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCCCC1=O 1690022671 OCMZFHQYZKCKOE-UHFFFAOYSA-N 443.555 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCOCC1 1690101244 UHDQQLASFOPWKU-UHFFFAOYSA-N 447.561 2.004 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(=O)N(C)Cc1ccccc1 1690102837 VZVRKFCPYLEWLG-HXUWFJFHSA-N 425.533 2.264 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1690161343 BIMGVRSJWOMCOT-MRXNPFEDSA-N 431.587 2.443 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690175581 ZXFCWTLRWYDJKO-QZTJIDSGSA-N 427.578 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1690210421 BRKDRXBTHIUFMW-OAQYLSRUSA-N 428.562 2.130 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1690329992 AJTQSWKGFVRANC-LLVKDONJSA-N 427.734 2.466 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@](C)(O)c2ccccc2)CC1 1690364261 MOOHWZQWLORYNC-DYESRHJHSA-N 433.578 2.343 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1690506271 IHBZJXGPRWUYHB-UHFFFAOYSA-N 435.532 2.291 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690511170 RSCCIGKSLJZPKA-IBGZPJMESA-N 440.548 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)CCC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731595 NDEYHYPUAYRQJD-IYBDPMFKSA-N 441.598 2.496 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690742552 ULQLTVDTDXMGJR-HUUCEWRRSA-N 447.565 2.233 30 10 IEEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CCC(C)C)CC1 1690869394 GCBLXVNDIAGVMI-OAQYLSRUSA-N 445.612 2.102 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1691001416 IFTHZWFRCCDAOM-KRWDZBQOSA-N 441.561 2.280 30 10 IEEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1693249984 RDOSAJIOTLCBTG-MJGOQNOKSA-N 446.502 2.338 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705537960 WOBZUKDZGFSQLQ-SIKLNZKXSA-N 439.560 2.436 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)OCC 1705580545 MGXYCMFCNWJJMG-UHFFFAOYSA-N 428.562 2.126 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1705583497 ZONZUKLTPQLHMM-UHFFFAOYSA-N 432.572 2.288 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1Cc1ncn(C)n1 1705619394 POHUWFGKVBMCQX-UHFFFAOYSA-N 438.511 2.152 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(C)coc2C)CC1 1705648318 QXORQAGZTOFWEC-IBGZPJMESA-N 425.533 2.396 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705679429 NMHBJRIIVIGJHF-STQMWFEESA-N 442.314 2.219 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705754513 ZSORWCAPHRIZCJ-OAHLLOKOSA-N 446.939 2.466 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1705825182 LSKWABXHBJSIBR-UHFFFAOYSA-N 426.521 2.018 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1705880530 IEJZCUOWZIOOOM-MRXNPFEDSA-N 427.534 2.460 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1705894543 CFKBFJFZMGWWRL-KRWDZBQOSA-N 425.537 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(C)C)C1 1705934147 CIQPWASJHIGACD-INIZCTEOSA-N 449.577 2.479 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOCC1CCOCC1 1706601187 FQFSQMGPXVEVCT-UHFFFAOYSA-N 432.569 2.380 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)OC 1708808359 GVFMYEXARYAGDS-VQTJNVASSA-N 440.548 2.458 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1709999887 IFPPWAYUCAJYNF-UHFFFAOYSA-N 449.481 2.369 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1711432159 TUBHJHSELCIMDI-GOSISDBHSA-N 429.546 2.322 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1 1712497308 LGERMRSJWGNFPG-NVXWUHKLSA-N 426.521 2.111 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1722322601 VDYMSKKEUADVDF-SFTDATJTSA-N 449.559 2.399 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1722359548 ONZFXNOXKZWDAT-INIZCTEOSA-N 435.893 2.233 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1722384928 ZWLJUGYSVYCUEA-IBGZPJMESA-N 437.548 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1722394053 PLIJZFVXFXLQQT-UHFFFAOYSA-N 433.537 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCNS(=O)(=O)c1ccc(C)s1 1722396278 WYQBIEPRALAMOU-UHFFFAOYSA-N 442.570 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NC)c1 1722401444 XZURKWQLMYCOFF-UHFFFAOYSA-N 429.528 2.011 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1722437656 VFASVJJXNRLXRI-UNMCSNQZSA-N 440.567 2.369 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722441045 FZSWKSMNOOMRMK-QPPBQGQZSA-N 446.555 2.465 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1722466910 IEGATTNDZJLFCH-DYESRHJHSA-N 436.626 2.002 30 10 IEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1)c1ccccc1 1722540904 ITIPWUNYFIYSBT-UXHICEINSA-N 446.573 2.135 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1722554807 HRTMHCNMEPACDE-CQSZACIVSA-N 437.909 2.404 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722590794 AOTSENNCIWNEOG-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1722627791 NOVJDEMQDKNXLY-GOSISDBHSA-N 443.527 2.073 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1 1726445033 BGRRLUUMRUGLDG-KRWDZBQOSA-N 430.516 2.381 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1728080015 LTIBPDUGFCVWBP-IBGZPJMESA-N 437.548 2.038 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1740918056 JYNDTAMRAVTZTL-IBGZPJMESA-N 425.533 2.257 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2cc(F)cc(F)c2C1 1740993189 ZCBBMMIWQKBRRD-HNNXBMFYSA-N 438.500 2.224 30 10 IEEE CC(C)(O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741254302 HWGZQQAGVGONKE-INIZCTEOSA-N 430.503 2.485 30 10 IEEE COC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1748351482 VAXUBFPUNPIPAB-UHFFFAOYSA-N 436.472 2.301 30 10 IEEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c1 1748458271 MWHFMEVQAVAVSP-INIZCTEOSA-N 426.521 2.336 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1748717787 IOCKHAROAYXBLE-MJGOQNOKSA-N 447.561 2.349 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1748817017 CHVURHAXMHABPE-IAGOWNOFSA-N 434.587 2.021 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)Cc2ccccc2C1 1748962749 PKSNYQPBFQMRQK-HXUWFJFHSA-N 442.585 2.071 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749039481 VADWUNHTKMSWNW-ZIAGYGMSSA-N 436.525 2.325 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749040269 SDWTVBOJMSTIKG-SFTDATJTSA-N 440.617 2.177 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1749398420 GRKPLIMXLSSALO-MRXNPFEDSA-N 435.532 2.215 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1749683137 KGQXXEUYDOYXEM-LEWJYISDSA-N 438.576 2.390 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCC2)C1 1749696111 QBAQXDKRWBNDAM-GOSISDBHSA-N 446.573 2.435 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@H](C)C[C@@H](C)C2)C1 1749710392 WSCLCINUHHWHLQ-WTGUMLROSA-N 430.597 2.379 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)SC 1749965120 AOYBJVWOLLULIC-ZIAGYGMSSA-N 432.550 2.289 30 10 IEEE CC(C)(C)c1nccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)n1 1750132419 KXUIVDRTJXOQTF-KSFYIVLOSA-N 440.527 2.391 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@H]2CO)CCO1 1750387153 RRJXUQHAKOYJDD-ROUUACIJSA-N 428.512 2.050 30 10 IEEE CC(C)Cc1nnc(N2CC[C@]3(CCSC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750735130 CGBIDXPTRYYGRG-CILBIJLJSA-N 430.578 2.336 30 10 IEEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 1751749291 IDIUGJQKLUYIGB-MRXNPFEDSA-N 428.543 2.253 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1760188914 RBLDGMJWYLGHIA-RBUKOAKNSA-N 446.548 2.295 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189840 XAXZCPUFZQYLPD-MOPGFXCFSA-N 438.594 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCc1nnc(C)s1 1760208855 LCYJYBOPBKJFKX-UHFFFAOYSA-N 434.529 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCOCC1 1760212425 ZWXAQIMDYRMURB-INIZCTEOSA-N 445.365 2.219 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1760232473 GRLRGUAFPLXSOC-ZDUSSCGKSA-N 433.415 2.067 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CCCC1 1760251246 UCGNUUVBUDWMRD-UHFFFAOYSA-N 436.603 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCCCO)CC1 1760254708 HNHCWGAGQZLOTK-UHFFFAOYSA-N 449.397 2.354 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@](C)(O)CCOC)CC1 1760261731 VURWCVZSCXMLPT-DEOSSOPVSA-N 441.576 2.017 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)c2nccs2)CC1 1760272051 XAJRTTVFLFHVHP-KRWDZBQOSA-N 449.584 2.490 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1760335384 ZIWZGIGECUYBDK-PMERELPUSA-N 428.562 2.363 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@H]1C 1760355876 ZBAXJTBMMZLVSV-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760440723 OYWRYNHZXCYAPS-LSDHHAIUSA-N 435.516 2.219 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCSCC1 1760501243 KMRXWHYUPNGXRD-GOSISDBHSA-N 430.578 2.106 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2ccco2)C1 1760524998 QCQIJIYXKKRYCB-FQEVSTJZSA-N 437.500 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1OC 1760556311 ZOGXCVVQTGFSMD-GOSISDBHSA-N 434.562 2.418 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)CC1 1760600977 LVJTXHFPZWTBPX-UHFFFAOYSA-N 440.548 2.340 30 10 IEEE CCCc1nc(C)c(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)o1 1763938704 ZDUUOQCJFDBPKG-VGSWGCGISA-N 444.536 2.345 30 10 IEEE CCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 1765413369 QKFVVEPUIYIQIN-PKOBYXMFSA-N 437.548 2.435 30 10 IEEE CCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)c1 1765624553 FWSOHPLGTAYTJT-HSZRJFAPSA-N 437.548 2.344 30 10 IEEE CCOCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1766501756 SMEUDLPBUYYHPR-KRWDZBQOSA-N 439.520 2.251 30 10 IEEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1768723085 AHMCNTSATNOQKF-UHFFFAOYSA-N 433.501 2.063 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1771107436 QZEZWRAVMJTJMR-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE COc1ccc(N2C[C@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1Cl 1852450685 HYEGXBRRUCCTRT-GDBMZVCRSA-N 442.859 2.332 30 10 IEEE N#Cc1ccc(C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)cc1F 1852866885 XYWIUZHMCIWMHI-QGZVFWFLSA-N 430.457 2.319 30 10 IEEE Cc1ccn2c(=O)cc(CO[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc2c1 1852883950 UKKMYPBTZSEUBQ-QFIPXVFZSA-N 434.496 2.171 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(CCn4ccnc4)CC3)cc2)c1C(F)(F)F 1852950822 MMRSCXBDNNIEFE-UHFFFAOYSA-N 443.433 2.417 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4csc(C)n4)CC3)CC2=O)CC1=O 1853643478 NWERMVQFTFUXSH-MSOLQXFVSA-N 430.574 2.073 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855735637 QLHDIXQQSDWQHU-OAHLLOKOSA-N 429.473 2.078 30 10 IEEE N#Cc1ccc(CCC(=O)N2C[C@H](CN3CC(Cn4cc(Cl)cn4)C3)CC2=O)cc1 1856228726 TXZVRIIYPIYCHW-SFHVURJKSA-N 425.920 2.348 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN([C@H](C)CCC#N)C(C)(C)C2=O)cc1 1856769134 VYQZOCSHIQBPHB-MRXNPFEDSA-N 435.546 2.001 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(OC)cc1OC 1861059987 RMLGXGXZINZZFM-FQEVSTJZSA-N 426.469 2.272 30 10 IEEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C[C@H]2COc3ccccc3O2)C1=O 1863553901 RCMLXCWTKKIUJI-SFHVURJKSA-N 433.464 2.341 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C)nn2CC(C)C 1865224860 RDODORTZZNXBQP-FQEVSTJZSA-N 438.528 2.310 30 10 IEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870519535 WAFWORSKZDKZOH-WOJBJXKFSA-N 439.556 2.381 30 10 IEEE C#CCOc1cn(CCCCCO)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870562231 WNIGGCSLDYWNPW-UHFFFAOYSA-N 427.520 2.484 30 10 IEEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(CC)CC1 1870617688 RHTZEAAAJZPNSD-UHFFFAOYSA-N 425.529 2.294 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccnc4ncccc34)CC2)CC1 1889527961 AFTSXXYQUPJVJX-UHFFFAOYSA-N 435.572 2.280 30 10 IEEE CCOc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cc1 1890347670 KRWCSOLWXISSNJ-UHFFFAOYSA-N 443.588 2.113 30 10 IEEE Cc1cccc([N+](=O)[O-])c1CCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1891026522 JYEQVZAGQBHBQX-UHFFFAOYSA-N 442.560 2.094 30 10 IEEE CN(C(=O)c1cc(F)c(Br)cc1[N+](=O)[O-])C1CN(c2nccnc2C#N)C1 1892125003 CMPGEUZIASFYBZ-UHFFFAOYSA-N 435.213 2.119 30 10 IEEE CC1(C)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CC[S@]1=O 2116141602 BQTPISHHUMCYCZ-RUZDIDTESA-N 429.189 2.491 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2124521390 GGNRUUUOCHNKJN-GOEBONIOSA-N 449.361 2.466 30 10 IEEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2195275454 XDVDQFVRHQMDFQ-IIMDRIAPSA-N 439.530 2.277 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216465015 ZPIYSQYKGFMZHE-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2219846801 FSWPOQADRBYKJH-GOSISDBHSA-N 438.532 2.327 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2247833065 AGDXVVTUTIGLIC-MPBGBICISA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2247917227 ALQRABKUHHDUNV-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3C[C@@H]4C(B5OC(C)(C)C(C)(C)O5)[C@H]4C3)(C1)C2 2254729815 MWTFDRDYTYKCHG-WJWAULOUSA-N 434.342 2.363 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)C1 2255187481 VHRLNTCICRZTBG-KZMMHJFXSA-N 439.556 2.405 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCC1CN(C(=O)OC(C)(C)C)C1 2255692666 COUKSYPMHRQRGG-UHFFFAOYSA-N 433.358 2.311 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705708 ZCDANHHNXHPSCW-RCDICMHDSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267094851 JOVISXVAAMRKDS-UHFFFAOYSA-N 448.369 2.335 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267186480 KMBKGGOSJNGXIU-GOSISDBHSA-N 438.381 2.456 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267188450 MGYMWHCNQWVOBD-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2267270361 KTJSCYWWIZVSPP-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267526254 PDTFNGPCTMMPSK-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267539343 ZRPKDGHCNKSLOI-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268654119 VQHIUBFSUIITRQ-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300341870 NVERVUDIKSPTJY-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE Cc1nc(NC(=O)[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2334387255 AGXRCDIVBIOZLC-IIAWOOMASA-N 444.341 2.278 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337210440 ZTJKHUZDDKWYLQ-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 96351103 OOSIUCUPTPSRBV-QGZVFWFLSA-N 436.899 2.390 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 433707164 LTYHLAQCWKGVIZ-HNNXBMFYSA-N 428.493 2.333 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2ccc(I)c(Cl)c2)CC1 436184663 LHCLDKICDOPMGZ-UHFFFAOYSA-N 433.721 2.364 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 444530814 DTDKOJRGCDODOU-UHFFFAOYSA-N 435.937 2.189 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1 460383049 BMQWMNGIZUVXLH-LJQANCHMSA-N 449.577 2.222 30 10 IEEE C[C@](O)(Cn1ccccc1=O)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 468274338 KMFAWQKKUMVTMC-IBGZPJMESA-N 427.511 2.253 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)c1 487342600 GCJXETHESMCPLS-UYIHSSAESA-N 435.343 2.108 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)C[C@@H](C)O1 488697379 PITRFIMFRRRSPU-GASCZTMLSA-N 431.489 2.425 30 10 IEEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 558124197 HQZZXRBDHMCEFQ-UHFFFAOYSA-N 435.528 2.091 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H](C[C@H]4COCC(=O)N4)c4ccccc43)CC2)o1 568315277 DPYBEKJGFVCKCZ-MSOLQXFVSA-N 449.511 2.107 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)CC2)o1 568315278 DPYBEKJGFVCKCZ-QZTJIDSGSA-N 449.511 2.107 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CCc2ccccc2)CC1 576055487 WKIBUTIINSEQCZ-UHFFFAOYSA-N 431.544 2.007 30 10 IEEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)ccc1C#N 578376751 SBXGTVFAQGGHEV-HNNXBMFYSA-N 430.530 2.256 30 10 IEEE Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 611644799 QIIMSBOMQJYLOX-SFHVURJKSA-N 426.498 2.238 30 10 IEEE CCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671135 PLLKSKPSRPQDFV-VQIMIIECSA-N 449.580 2.165 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C#N)no1 730140120 UUIHHRWCZSSKLA-GOSISDBHSA-N 440.529 2.054 30 10 IEEE COc1cc(I)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 732649358 SYSGBXUKIDOJNJ-LBPRGKRZSA-N 441.269 2.121 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C)CC2)c1 751927157 XAZXOTVDZHODQM-SFHVURJKSA-N 445.589 2.445 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H](COC)NC(=O)OCC1c2ccccc2-c2ccccc21 757265009 LZJQOHXHJMTZLY-OAQYLSRUSA-N 436.464 2.087 30 10 IEEE COc1ccc([C@H](CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)NC(C)=O)cc1 757577001 AXBUIUVQJKTJBI-NZSAHSFTSA-N 430.505 2.138 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3nc4cnccc4[nH]3)nnc12 760955670 YUPJZPJLOCAXIF-UHFFFAOYSA-N 432.469 2.232 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN2C(=O)OCC[C@H]2C1 764481560 DDXUMVBLQVZDEY-ZDUSSCGKSA-N 438.278 2.151 30 10 IEEE C=CCn1c(-c2ccccc2C)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 765055489 SLKJDWLSTOSAHM-UHFFFAOYSA-N 437.573 2.449 30 10 IEEE C#CCN1CCN(C(=O)CN[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CC1 768740634 CQHYBHKSDOMVJS-OAQYLSRUSA-N 433.478 2.460 30 10 IEEE C[C@@H]1CCCN1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 769867237 ZQJRHGIAYYAXFB-UDJKBAMHSA-N 428.580 2.421 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)c2)n1N=Cc1c(Br)cnn1C 781914784 IPRCHAGXLGFVAB-NSHDSACASA-N 438.355 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 782420307 SRFWYYYMUJETPG-UHFFFAOYSA-N 429.521 2.064 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 783012477 QUDYAGGOGDTMIJ-FUHWJXTLSA-N 445.944 2.430 30 10 IEEE C#CCN(C(=O)c1cc(I)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 793154040 OMFLYVXSVSNOBY-ZDUSSCGKSA-N 431.295 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 806866917 FURGGZSXVNVBFI-IBGZPJMESA-N 443.548 2.274 30 10 IEEE Cn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCCc2ccccn2)c(C(F)F)n1 812220736 UIQIFQXPZIEZET-UHFFFAOYSA-N 443.487 2.437 30 10 IEEE COc1ccc2c(CC(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)coc2c1 914683439 DFQYVZDJUHXBJP-UHFFFAOYSA-N 438.440 2.044 30 10 IEEE COc1ccc(OC)c(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)c1 1084074379 WHYRSOLZUVHKRW-UHFFFAOYSA-N 434.507 2.159 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCO[C@@H](c4nccn4C)C3)ccc2c1=O 1142057629 CTDBUBASFGDZEY-WMLDXEAASA-N 425.514 2.255 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3ccccc3OC)C2)s1 1151667009 BEXWOARUBSYUMV-SFHVURJKSA-N 436.555 2.364 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cccc(C#N)c3C)CC2)cc1 1160609202 DNVJPHTYBDTZKF-UHFFFAOYSA-N 431.539 2.488 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 1169072454 JMXOLLQOBQOZIK-GOSISDBHSA-N 436.472 2.295 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)CCO2)cc1 1179406860 ZDGDBXZDEFVOBT-NRFANRHFSA-N 441.509 2.262 30 10 IEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1180367426 GVZVLZPTXXYHIL-GOSISDBHSA-N 440.504 2.034 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1214798236 YUVUXRQIPGHLOK-NKFKGCMQSA-N 448.545 2.308 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286291403 XDUMFHNCTDWHEF-ZIAGYGMSSA-N 438.454 2.348 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nc(C(C)C)cs2)CC1 1286473835 YNBUSRSOEDLAMY-QFIPXVFZSA-N 444.605 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1286492017 CKEUZCZAZMTZSG-LTMIRXACSA-N 429.565 2.037 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)CN1CCOCC1 1286514710 NFEJPIYXFARZFA-FDDCHVKYSA-N 430.597 2.157 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1286559970 BITTWJWNGCJVQR-SNRMKQJTSA-N 429.496 2.017 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(OC)CCOC1 1286573153 HRWHAGIFSZELCP-OAQYLSRUSA-N 448.593 2.446 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286599679 ZLXQEWRDZFTEDI-QPPBQGQZSA-N 446.640 2.500 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccco2)N(C)C)CC1 1286664032 SEWQAQDECRZXFR-ZWKOTPCHSA-N 433.578 2.479 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286686724 JSNZLQFEOZSUMR-LJQANCHMSA-N 438.532 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1296139053 YIELYUKJPVZSCY-NRFANRHFSA-N 426.477 2.230 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1296994143 JSOVPOBAVKWXKS-HSZRJFAPSA-N 444.507 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCOCC(F)(F)C(F)F 1300304483 OUTCVAOWODMLDR-LLVKDONJSA-N 431.390 2.381 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1300324172 AUSABZSJHUDCND-APWZRJJASA-N 432.546 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1300578935 QMHVIXSZZYPMNV-QFIPXVFZSA-N 449.555 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2=CCCCC2)CC1 1300711463 CMWFCVWDCKUIMJ-UHFFFAOYSA-N 447.543 2.392 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 1300718613 BKZOSSKHHIKYGV-MRXNPFEDSA-N 447.461 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)CC)CC1 1300725632 BLLOADPSSGPHRG-QHCPKHFHSA-N 427.524 2.135 30 10 IEEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)C1 1300975771 ZPGOWTUSHQTOHR-UHFFFAOYSA-N 438.301 2.376 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1301424681 NQYOQNLXANGJLG-SFHVURJKSA-N 448.589 2.095 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301506301 IPEIIEHKPNMXOS-JXFKEZNVSA-N 425.533 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1301578253 UNKBARYJVGDYSB-UHFFFAOYSA-N 436.509 2.074 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccsc1 1301586037 PMPJTLGTYQQJIL-JKSUJKDBSA-N 435.575 2.233 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CCO1 1315935850 LWPUAXVEYBRHCH-OAQYLSRUSA-N 441.532 2.254 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1sccc1CC#N 1354340927 ZVZJBZJIOSTWHC-UHFFFAOYSA-N 435.527 2.486 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2=O)cn1 1357755478 FNNISSPYCWXLIE-INIZCTEOSA-N 434.418 2.069 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1358918967 NBVZXEMEXOWYOJ-SJORKVTESA-N 430.553 2.277 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1359136083 YMGBZASJYGSIBN-UHFFFAOYSA-N 440.548 2.025 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1359298068 LJCQQAMFYGOGQK-OAHLLOKOSA-N 439.486 2.286 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCCC)C1 1359322225 RRMHFUJCLBZCOH-LPHOPBHVSA-N 427.505 2.098 30 10 IEEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1360562425 BCGDFEHJLNCGKB-DENIHFKCSA-N 437.592 2.316 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1361097493 CCATZXDFEZJHME-QAPCUYQASA-N 430.578 2.199 30 10 IEEE CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1436498745 HNNJUNSJJRSXKW-IBGZPJMESA-N 426.542 2.402 30 10 IEEE O=C(NCC[S@@](=O)CC(F)(F)F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 1437611350 UYWLWCAFZFFWQF-MUUNZHRXSA-N 432.321 2.466 30 10 IEEE CC(=O)N[C@@](C)(C(=O)N(C)CCc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1438636814 QNPHTAXRBJPPST-JOCHJYFZSA-N 427.526 2.014 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1 1444812305 MKERXNJBXQTAAX-OXFYSEKESA-N 441.484 2.010 30 10 IEEE CCO[C@@H]1C[C@](O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1(C)C 1448860895 JYIFNKIDURKJHU-JPMRARLYSA-N 435.565 2.456 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)C2)c(F)c1 1452523946 HNAWWHGBYQKXRJ-HUUCEWRRSA-N 426.414 2.441 30 10 IEEE C#CC1(NC(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)CCCC1 1462434409 DVEHKGWGBDUOAQ-UHFFFAOYSA-N 445.564 2.163 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)COC1 1463796270 PLAPHQICYLVKEZ-SFHVURJKSA-N 432.496 2.218 30 10 IEEE COC(=O)c1c(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)nc2n1CCC2 1470550542 YNYKJTRIYCBQEB-UHFFFAOYSA-N 425.294 2.476 30 10 IEEE C[C@@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCO1 1493339583 FYUNSZCBBIIWGL-AEFFLSMTSA-N 429.546 2.113 30 10 IEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1502486497 FECHLROKCCSXNL-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE CCOCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1503184449 QBSSPOFFMWTAPE-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1504812996 JOTRXZFAYFFZBZ-FQEVSTJZSA-N 449.563 2.255 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1504997936 GTZNNKOGUUYPNA-IPMKNSEASA-N 434.585 2.241 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C1 1505314895 KSNXFEUBCPKPNO-OXQOHEQNSA-N 439.557 2.362 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)C1CC1 1507542976 TXIMOWOOLAAWQT-CPJSRVTESA-N 436.604 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nnc(C)s1 1507660850 FETLPUKQFCFQPU-OAQYLSRUSA-N 428.562 2.184 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(Cl)c1 1507703815 ZUBJOKWLNRMCEV-UHFFFAOYSA-N 431.924 2.333 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2nccs2)CC1 1507736877 UTJNGEHLLKIHPM-UHFFFAOYSA-N 436.541 2.424 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(C)COCCO2)CC1 1507877104 BADUNJHQGZKIFW-OAQYLSRUSA-N 432.546 2.311 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)C1 1508128345 ZLLURRQRPXAADJ-MSOLQXFVSA-N 440.504 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC)C1 1508133445 JIWVLONZXYDGGF-LJQANCHMSA-N 429.546 2.423 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC[C@@H]1C 1509686336 WETHXOBJDUGAEI-PKOBYXMFSA-N 436.564 2.446 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(Br)cs2)cn1 1517375375 ICLPJMLGKQBACK-CYBMUJFWSA-N 434.323 2.280 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccnc2OC)c1 1518051050 GRPKQBABNIXION-IBGZPJMESA-N 436.472 2.143 30 10 IEEE COc1cc(NC(=O)CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc(OC)c1 1533924349 FSMHKHMOPRUANM-QGZVFWFLSA-N 434.493 2.346 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539097272 HYYYNEACPGYJON-QHCPKHFHSA-N 436.516 2.182 30 10 IEEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539362951 HRQZVLWEKWMIQL-MRXNPFEDSA-N 426.546 2.167 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc(C(C)(C)C)s1 1539422671 HANOVKGTMMUVLB-RDJZCZTQSA-N 448.593 2.285 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC=CO2)n1 1539424925 YNJGUEFAVRBTTA-FPOVZHCZSA-N 440.548 2.348 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)cc2OC)CC1 1539453386 JHSPUWVAANCVDM-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539484235 IIIICSBVTJMSML-RTBURBONSA-N 426.609 2.317 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1539641134 LDUCBPMIAKNZGS-QUCCMNQESA-N 432.613 2.203 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540037531 NOBZGTALHOGGCW-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540077811 SDDKPCOXBDKXOJ-AWEZNQCLSA-N 425.505 2.051 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1 1540680622 NANXBRAWATYFAI-UHFFFAOYSA-N 429.473 2.111 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)C1 1541995562 QDFXGAXNKYKUGE-HSZRJFAPSA-N 430.516 2.416 30 10 IEEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542714611 GWKUXUIEPKFFII-GNDBUYPCSA-N 435.463 2.222 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1546854423 KOKIQSANNJGHNS-AQOAWAETSA-N 440.552 2.057 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C(N)=O)cc1C(F)(F)F 1548367509 GYDQBOADBNFIFW-GOSISDBHSA-N 434.393 2.461 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CCOCC1(C)C 1554150046 FOWQOKOOCBNRNM-UHFFFAOYSA-N 434.548 2.297 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1554150069 GGKDMEMCMPGEFG-SFHVURJKSA-N 439.545 2.011 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1555198620 NFXBODSZMUPABU-QWFCFKBJSA-N 427.505 2.005 30 10 IEEE C#CCN(CC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1)C(=O)OC(C)(C)C 1557500420 IWJYEKIEYOVVIQ-UHFFFAOYSA-N 426.561 2.328 30 10 IEEE C#CCN(C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C1CCN(C)CC1 1558507302 NNBHGCITDOROBC-UHFFFAOYSA-N 432.373 2.218 30 10 IEEE C=CC[S@](=O)(=NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1558718425 HJNGZHDYJIKGIY-CBZJRKILSA-N 442.946 2.219 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)c1 1585200100 NJPLHRPNYSWOTB-UHFFFAOYSA-N 441.444 2.273 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2nc(Cl)c(C#N)s2)C1=O 1587237168 UMFXCUHJKYZHMF-SFHVURJKSA-N 433.877 2.391 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1587857506 ZORVCMXGCPXTTG-GOSISDBHSA-N 430.578 2.194 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1587878961 LTRSKMORGJLZHH-SFTDATJTSA-N 425.581 2.100 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1588040964 SUZLBDKZUVVJEA-KRWDZBQOSA-N 426.498 2.227 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)CC1 1588849036 WEWSSOLHSDXNNJ-UHFFFAOYSA-N 442.995 2.440 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)Nc2ccc(F)cc2)CC1 1588913908 SYUYILIKBKTLRT-UHFFFAOYSA-N 449.490 2.017 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1594857154 JJILYOKNFFVWKI-CABCVRRESA-N 444.602 2.060 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cs2)CC1 1595500690 BUERPVFGKUYWAL-UHFFFAOYSA-N 427.534 2.240 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1596596451 RAOLQOWSFBDRDC-CRAIPNDOSA-N 426.510 2.241 30 10 IEEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCS(C)(=O)=O 1602773389 AHIOCGHUOYLVCS-UHFFFAOYSA-N 444.605 2.420 30 10 IEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1)c1cccs1 1611721785 IBKAJKFKBZBBPA-FQEVSTJZSA-N 427.555 2.355 30 10 IEEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1612449272 ACMDRVLNPYEJNN-HOTGVXAUSA-N 441.561 2.280 30 10 IEEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1620039524 BXVOHHOJZHYKPJ-SFHVURJKSA-N 438.532 2.433 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 1620594084 GNRIPXUNXBKVMD-PZJWPPBQSA-N 432.540 2.490 30 10 IEEE CCN(CCC#N)C(=O)CN1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1620643141 WXVMAAHPJQWEDS-FQEVSTJZSA-N 437.382 2.036 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 1621952349 DDZMFTLGVUWFEA-UHFFFAOYSA-N 442.921 2.156 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 1629139281 IOQAERMLUXARMO-UHFFFAOYSA-N 430.436 2.096 30 10 IEEE C#C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(Cl)cc1 1635074896 LHLKYZHSBOFOHM-IBGZPJMESA-N 433.917 2.395 30 10 IEEE C#CCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1 1635160887 ZIOIULGVKLHQKW-JOCHJYFZSA-N 427.570 2.357 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCSC[C@@H]2c2cnn(C)c2)s1 1636222971 CECGTYONXXKFOU-MRXNPFEDSA-N 440.616 2.195 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)CC1 1636468982 GQOFFWVJSDXPJK-INIZCTEOSA-N 437.949 2.497 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)[C@H](OC)C3CC3)nnc12 1638696078 XSTOXURTCZSVIP-UGSOOPFHSA-N 427.530 2.252 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1639347658 NSTZIRWGRPBEJU-OAHLLOKOSA-N 430.486 2.082 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[S@@](=O)C[C@@H]3c3cnn(CC)c3)n[nH]2)c1C 1639899399 DNEGZJQKDQCULY-FZYZMVIOSA-N 441.561 2.238 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)[C@H]1CCC[C@H]1C#N 1642537520 WHWPECCWUVXECC-HKUYNNGSSA-N 447.557 2.399 30 10 IEEE COc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1S(=O)(=O)NCc1ccccn1 1648969064 VCGCMVOBFCSVRA-FUHWJXTLSA-N 428.514 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1OCC(F)F 1649538285 BISOOGRQSTUKFL-BTYIYWSLSA-N 435.475 2.475 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)cc1 1668389765 SGWXFCLYDZTYOM-QFIPXVFZSA-N 426.473 2.427 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1670227150 BCLVFROIXMVETM-UGSOOPFHSA-N 430.461 2.438 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)nc2C1 1672971106 HYQXIIPSQYQIQP-ZIAGYGMSSA-N 427.486 2.373 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)N3CC[C@](F)(C#N)C3)c2)nn1 1684253918 QPHUMHSDYSIUNX-NRFANRHFSA-N 443.483 2.439 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 1684424908 HMBRVCKJLUEJGF-OAHLLOKOSA-N 428.316 2.264 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(C#N)CCOCC2)CC2(CCOCC2)C1 1687576762 PWUIHNWAUSFVOF-KRWDZBQOSA-N 436.553 2.412 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1689930802 ZNRVKHPHOHREAB-MSOLQXFVSA-N 435.594 2.041 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1689996675 LXUCMJYEJCEGJU-IBGZPJMESA-N 440.525 2.434 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCOCC1 1690254722 HRJGFLVWCDFJDH-SFHVURJKSA-N 427.553 2.296 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)CC1 1690411255 ISEFOPBGTDVMBW-SFHVURJKSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690507244 HXTCRVNVJBQHMB-QGZVFWFLSA-N 445.955 2.197 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1)C1CC1 1690536655 CPNLEUTZEIMKBW-JLTOFOAXSA-N 437.541 2.090 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1690585485 MNZZAJUMDNGUMN-UHFFFAOYSA-N 449.353 2.463 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690673136 PBWNMDIMTJESEO-GOSISDBHSA-N 449.534 2.420 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677149 PGRREJDEOZSPHF-MBSDFSHPSA-N 449.596 2.405 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)C1 1690699168 AKDXNOCUMMAFQA-HUUCEWRRSA-N 437.591 2.029 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691562220 YZXWYUDUQYCYKA-XXBNENTESA-N 439.564 2.172 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1693163402 OEBNKNSNLLIZSR-ZWKOTPCHSA-N 429.546 2.413 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1693350264 CLDUPTDZVFZVLK-LTFJSZEESA-N 427.534 2.006 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1695895596 NVYFNQUBQMOTKN-KNQAVFIVSA-N 433.576 2.379 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1705648016 NJWWHIHLQQAONY-DVECYGJZSA-N 443.592 2.079 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC 1705700520 UTOAWUSFBXICIH-JXFKEZNVSA-N 438.532 2.256 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705828403 MPFSVDHBNDWBQO-QGZVFWFLSA-N 431.541 2.375 30 10 IEEE Cc1ccoc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1707021434 BWIGWTKMTZFDMQ-INIZCTEOSA-N 427.486 2.027 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(OC)c1OC 1709137715 CGGCCPAQSSLUTQ-UHFFFAOYSA-N 433.516 2.499 30 10 IEEE CCc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1709146850 YDOQJUJZENAKRN-MSOLQXFVSA-N 439.564 2.170 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1)OC 1712151206 HHTLFVSATWEDFI-HXUWFJFHSA-N 433.516 2.200 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1c(F)cccc1F 1712451819 GWYZDJQYHPNWEW-UHFFFAOYSA-N 432.475 2.401 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1N(C)CCCC1(C)C 1722282107 LMNLCUGSUVZKHS-FXAWDEMLSA-N 433.564 2.499 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722317256 ROTOMKPIFMYABE-RBUKOAKNSA-N 449.621 2.116 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722368827 WNJRQENVEYDBEM-RTWAWAEBSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@H]1C 1722400810 ZXFSRHOYKCCDQT-NLFFAJNJSA-N 447.587 2.466 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1722422388 RFBGBRKNVXMMQJ-WMZHIEFXSA-N 427.524 2.018 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722482963 FCSUZSILWDFSEE-CQSZACIVSA-N 430.372 2.068 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1722546936 DNDBGWXZZNFDQP-UHFFFAOYSA-N 435.912 2.186 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722547219 CLYAWYCDMBXXER-GOSISDBHSA-N 449.939 2.446 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1722564693 SVHIVUQIOTWXBC-QGZVFWFLSA-N 449.577 2.049 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(N)=O)CC1 1722689970 CCUXOGZPYSGMEY-QGZVFWFLSA-N 440.548 2.039 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722693339 KQCSMVZKCBSMGY-QQMNAOGKSA-N 441.532 2.029 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1722718259 HUMBFVDKLYGBJA-VQTJNVASSA-N 446.573 2.178 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1722864078 OFTXNZINKKVUGF-CYBMUJFWSA-N 446.357 2.403 30 10 IEEE CCO[C@@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2ccc(C#N)o2)CCOC1 1728773314 TVRPNMCAMOPDNE-QFIPXVFZSA-N 445.520 2.278 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CC)c1 1728903552 HYHVEGLQRMQUKX-GOSISDBHSA-N 437.504 2.249 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1730538450 XTURFASWGFIFLE-UHFFFAOYSA-N 443.458 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740542611 AJVACFCKHWLZDG-GHTZIAJQSA-N 438.576 2.354 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1cc(CO)nn1 1740552371 XDPABDDJSVKDLE-INIZCTEOSA-N 432.488 2.232 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CN(CC(C)C)CCO2)c1 1740564449 NCXOMEQJEZIWCK-OAQYLSRUSA-N 438.576 2.254 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1740624618 ISBRQBGTRCMNOU-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740625691 SECYJXHLIFUTMU-PKOBYXMFSA-N 432.615 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1ccnc1C 1740630012 DKLQQWRZTOIVAM-UHFFFAOYSA-N 435.919 2.139 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCOCC)CC1 1740703529 VYHALROJXWKBEG-UHFFFAOYSA-N 425.533 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(F)c2)CC1 1740705133 BMQRGICGWWSNAM-IBGZPJMESA-N 425.508 2.130 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1740778007 ZKFZDJZXFQGXPU-PMACEKPBSA-N 434.629 2.431 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740859672 PEXZTCTYODOOSO-MJGOQNOKSA-N 443.573 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1740955109 LZCGWZXRDWZZCX-ROUUACIJSA-N 441.532 2.412 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@@H]2C1 1740996397 AUMPRIWFSYGXPZ-SFHVURJKSA-N 430.534 2.293 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1741003683 AJEJOLULOYPFMH-UHFFFAOYSA-N 432.594 2.451 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1741802425 IGNLQVDHGJZMQX-IEBWSBKVSA-N 440.548 2.426 30 10 IEEE CCCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1745791042 WMZNUPWOGXRHLE-KRWDZBQOSA-N 438.305 2.014 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C 1746445890 GNXHHWGHSDVMTK-HKUYNNGSSA-N 442.589 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCOC1 1748828481 FAPAJJWODWNDJV-SFHVURJKSA-N 440.573 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1748851302 CDZBRWOMNKLMOK-UHFFFAOYSA-N 441.919 2.192 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ncccc1Cl 1748874978 GSZLUOIBFUNKGE-WMZOPIPTSA-N 429.908 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CC)CCC2)CC1 1749001483 TUCOHPKCOQYILF-UHFFFAOYSA-N 449.559 2.472 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)NC)CC1 1749116020 YOCAOJCJSOPTIF-PKOBYXMFSA-N 446.596 2.140 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1749225292 DDFVSFMVGIVGDL-GCJKJVERSA-N 429.496 2.059 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1)C1CC1 1749519047 DUVRZSGHYKYICK-IBGZPJMESA-N 431.562 2.123 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682638 XNUFTTBLRVMZJK-VGOFRKELSA-N 429.521 2.208 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)C1 1749710644 ZJBCINQJCKQYPH-RTBURBONSA-N 425.533 2.286 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC[C@H]1C 1749738646 SXQCFFGAYQDDLW-GOSISDBHSA-N 434.562 2.300 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1750866415 UBPWGCRYBUZBSL-SFHVURJKSA-N 440.548 2.458 30 10 IEEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC[C@H]1CO 1760173950 FWNDZLGRYJGFSM-QHCPKHFHSA-N 430.556 2.338 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)C2CC2)CC1 1760263849 RGYYQJRSXMVDDK-QHCPKHFHSA-N 441.601 2.495 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1760282229 XYMMPGPWDHZDKC-AWEZNQCLSA-N 425.509 2.032 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760299163 KLLAWXVPCCCPBA-JTDSTZFVSA-N 427.471 2.385 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760318719 IAVZELCYXMNSBR-AOIWGVFYSA-N 433.578 2.278 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCNS(C)(=O)=O)CC1 1760384307 RSTHGVDHOKLEQU-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760422942 UFTMTIPPFXLOGN-QGZVFWFLSA-N 428.924 2.102 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1760437829 OZUIAYZWBASZSB-SFHVURJKSA-N 435.532 2.356 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2OC)C1 1760541961 IVIHYNUBHGHDDK-RTBURBONSA-N 441.532 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@](=O)C(C)(C)C)C1 1760549420 DMCCXUNKMCTHFX-PBYQXAPXSA-N 434.610 2.468 30 10 IEEE CC(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1761093667 ADUJNFJFXLHJEH-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCSCC2)CCOC1 1761284091 UATCQUIVCFZSJA-JOCHJYFZSA-N 448.637 2.498 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1762380960 TYNQMRLQWFKGSK-QHCPKHFHSA-N 432.532 2.282 30 10 IEEE CCc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)no1 1762742469 BLZZAHJXZZBVBF-OAHLLOKOSA-N 445.430 2.463 30 10 IEEE CCC(CC)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)N(C)C 1764062881 XLFDEMSVDYIPSY-AEFFLSMTSA-N 443.552 2.101 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCOCC(F)(F)C(F)F)cc1 1770740616 TZAMHNIWLINOKH-GASCZTMLSA-N 441.385 2.295 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCSCC(F)(F)F)c1 1771531963 KRUVYFCXFMRRMC-UHFFFAOYSA-N 445.492 2.347 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)CC1 1850444220 QJALENBSJFTIKD-QGZVFWFLSA-N 444.482 2.318 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccccc2OC)c1-c1ccccn1)[C@@H]1CCN(C)C1=O 1850972215 MWFACYZQJFMSTD-GOSISDBHSA-N 432.484 2.197 30 10 IEEE N#Cc1ccc(C2CC2)nc1C(=O)OC[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852664160 ZYQIYGXBUZPJEE-FQEVSTJZSA-N 439.537 2.329 30 10 IEEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(CC#N)cn2)CC1 1852801379 WLTDNLYHYDXZEQ-NRFANRHFSA-N 433.512 2.110 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)on2)C1=O 1853829708 YMLAWYAQMPXLHP-HZPDHXFCSA-N 428.514 2.253 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858318558 MTWSNIZRRNKOJC-GOSISDBHSA-N 433.555 2.225 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccc2C(=O)O)cc1F 1862640472 PFCTZPJKRRPNJZ-ADLMAVQZSA-N 429.400 2.492 30 10 IEEE C=CCN1C(=O)C(NC[C@H]2COc3ccccc3O2)=C(c2ccc(OC)c(OC)c2)C1=O 1863523466 HIMQOLOMDMKAHX-INIZCTEOSA-N 436.464 2.399 30 10 IEEE Cc1ccc2c(c1)nc(C1=C(N)N(c3ccc(CN4CCN(C)CC4)cc3)CC1=O)n2C 1872731339 XEAWTSUNNAEAGF-UHFFFAOYSA-N 430.556 2.346 30 10 IEEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873562928 AAPRHOWCJFSXOD-UHFFFAOYSA-N 446.555 2.412 30 10 IEEE N#Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 1873864525 NCWLLTQTHWWNOF-UHFFFAOYSA-N 426.498 2.382 30 10 IEEE O=C(NCC#CCN1CCCC1)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1890458299 MPCSJYKWVXGGOZ-UHFFFAOYSA-N 429.517 2.133 30 10 IEEE COc1ccc(CCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c(OC)c1OC 1891500443 FQPJLFKCBGRHPG-MRXNPFEDSA-N 426.473 2.377 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](N)C#CC1(S(C)(=O)=O)CC1 1902434362 YQDJUPLEKYJOHW-MOPGFXCFSA-N 436.574 2.395 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1 1993322844 SNCMAINLVRCFMX-WEHONNDLSA-N 427.542 2.239 30 10 IEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060724331 WFVUOQJBSILVCO-AZUAARDMSA-N 438.532 2.222 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)=C[C@H]1O 2067765443 VNQRFQSMJGXGOT-DLBZAZTESA-N 434.342 2.361 30 10 IEEE C=CCn1ncc(NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(Br)c1=O 2106032762 NLRMXHCONZRKQF-LBPRGKRZSA-N 429.315 2.240 30 10 IEEE COc1nc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)ncc1B1OC(C)(C)C(C)(C)O1 2132368452 LJVFBXUKEPQULS-UYAOXDASSA-N 436.365 2.495 30 10 IEEE C#CCC[C@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O 2159141163 AQFMFXRVWXPESX-JTQLQIEISA-N 425.098 2.357 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247836224 YNXOSCWNOZTHPN-UHFFFAOYSA-N 440.371 2.318 30 10 IEEE C#C[C@]1(O)CCCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1 2248462968 KSJPWNRDANSOTE-DEOSSOPVSA-N 428.529 2.427 30 10 IEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255343946 BZVRALDYGZSXAX-CJNGLKHVSA-N 436.314 2.214 30 10 IEEE CC(C)(C)OC(=O)N(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC1 2255631018 SHFAFHMKADZASA-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE CON(CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)C(=O)OC(C)(C)C 2256599086 UJTMKECSPVPRMP-UHFFFAOYSA-N 436.318 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2259179026 MEBOQBLBAINBSZ-KRWDZBQOSA-N 435.374 2.374 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267096150 RFJFBMAVPDLRDF-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE CC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN(C(=O)OC(C)(C)C)C1 2267128823 UFCBQYOEAUGSPQ-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267144190 SMMCANNHTMJXBR-RTBURBONSA-N 436.365 2.303 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2267148087 WGHLLIZQJQWFNJ-HZPDHXFCSA-N 448.373 2.378 30 10 IEEE Cc1ccnc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267151706 ZRVMMKGEKJKMBV-SCAQPMJSSA-N 443.353 2.284 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267187891 FDOJLCHALKTNDI-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE CN(C[C@H](O)CN(C)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267580920 LVZUMMZPRNUZGU-MRXNPFEDSA-N 448.369 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268716149 SYHKFENWCPIJDQ-HOTGVXAUSA-N 447.341 2.392 30 10 IEEE O=C(O)Cn1cc(C=Nn2cnnc2SCC(=O)NCc2ccco2)c2ccccc21 2321876796 FDXBLPXUZGNKCP-UHFFFAOYSA-N 438.469 2.201 30 10 IEEE CCOc1cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc(Cl)c1OCC 2323028690 XXRBNXHMPSNVKC-UHFFFAOYSA-N 426.882 2.277 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339448314 PDTMPFUEEKNEEC-MRXNPFEDSA-N 443.309 2.277 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(Nc1ccc(C#N)cc1Br)C(=O)O 2350234841 XPZSSVBEPKSLTR-CXAGYDPISA-N 426.267 2.480 30 10 IEEE CC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 31425223 FPVRUILUEYSIMD-QZIXMDIESA-N 434.504 2.467 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 95932027 HYRKAAMZBDSJFJ-VRXZFWGTSA-N 434.504 2.322 30 10 IEEE Cc1ccc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 103121734 BLZOSXNEUAYKAC-HQMFNGAOSA-N 426.425 2.334 30 10 IEEE CCCS(=O)(=O)Nc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c(F)cc1F 427209961 ANINHFIFARMTRS-UHFFFAOYSA-N 430.458 2.492 30 10 IEEE CCOc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)N1CCCCC1 430373990 AEPCWNSIKCRRPH-UHFFFAOYSA-N 448.545 2.008 30 10 IEEE CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431218423 LEVSAQSKEYQJAN-AWEZNQCLSA-N 447.626 2.333 30 10 IEEE COC(=O)C1(NC(=O)COc2c(C#N)cnc3c(OC)cc(OC)cc23)CCCCC1 440092766 QFBSRPAUDNCFET-UHFFFAOYSA-N 427.457 2.495 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H](C)C1 440573568 HGJJSUDXWKPLLR-QGZVFWFLSA-N 434.496 2.349 30 10 IEEE COc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)sc1S(N)(=O)=O 447095856 DZTBXBNXTIJIRA-SNVBAGLBSA-N 430.305 2.161 30 10 IEEE COC(=O)c1cc(Br)cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 461802403 ROKWYGIZMZEJGZ-UHFFFAOYSA-N 429.274 2.465 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)cn1 462071430 LEAUOXCAWXRPMS-FQEVSTJZSA-N 429.484 2.494 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@]2(CCOC2)C1 470200656 NJDZXHQAGDXDKD-GOSISDBHSA-N 425.279 2.116 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(N)=O)c3cccc(Br)c3)cc2C1=O 478299246 OUAHIJBQWHUSCV-INIZCTEOSA-N 442.269 2.188 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccsc1 479378674 PEHQQBXFTNDUIV-UHFFFAOYSA-N 448.529 2.089 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2=O)cc1 487172524 SMUIGYVAVJUPLR-MJGOQNOKSA-N 438.919 2.286 30 10 IEEE CS(=O)(=O)CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 490087317 JPVXPYGDKZBANW-ZDUSSCGKSA-N 435.365 2.299 30 10 IEEE CN1CCN(C(=O)Cc2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 504098197 YQVIROTYBKPMJB-QHCPKHFHSA-N 428.533 2.203 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)c2C)nn1 504971022 MIMYOUSUKJVAAS-UHFFFAOYSA-N 435.463 2.343 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 508476664 FSORAIKHDXWXLF-UHFFFAOYSA-N 446.533 2.434 30 10 IEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508722090 BPXDEECCPYRTBG-KSFYIVLOSA-N 428.489 2.068 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OCC)n2)c1=O 532162817 NRAOOZOFCBMISQ-UHFFFAOYSA-N 441.553 2.002 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl 537350714 ABXSPVBQFSDHIM-UHFFFAOYSA-N 441.918 2.033 30 10 IEEE Cc1nn(C)c(C)c1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 539348615 MAFUAPXLYYFMTM-UHFFFAOYSA-N 443.573 2.058 30 10 IEEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccncc4)cc3)CC2)c1 556951306 MKZYTPWIMFRHTE-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(F)(F)Oc2ccccc2)n1C 577663274 SPRJAAPXOVGUBT-AWEZNQCLSA-N 426.431 2.320 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 580603811 VUUMQKJQXILSGN-LPHOPBHVSA-N 431.562 2.248 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 604067821 BRRKZTVPHCCIEM-FGZHOGPDSA-N 438.553 2.249 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(C)c2)cn1 730144622 OYWQVQHLYJXANG-IBGZPJMESA-N 442.589 2.411 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 730827850 NSLNIDSOEXTTQU-MOXGXCLJSA-N 425.529 2.436 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)ccc1F 731884742 DZWPOONHJAIZOM-SFHVURJKSA-N 431.489 2.168 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CCN1C1CC1 732706087 DTYCTLWOJWBHFA-FQEVSTJZSA-N 432.484 2.468 30 10 IEEE COC(=O)CCN(Cc1ccccc1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742580299 KVQYKIXKGZTSCV-MRXNPFEDSA-N 443.525 2.096 30 10 IEEE C#CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@@H]1CCS(=O)(=O)C1 756850657 XXPWYIFRFLZEBS-GOSISDBHSA-N 431.583 2.412 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 765278622 KNXBMTVKGJXGTA-HOTGVXAUSA-N 440.525 2.229 30 10 IEEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)c1 765548987 WRXWIEPRBBTDCO-GOSISDBHSA-N 443.529 2.238 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 774024652 VXBHNGXZSMNWTG-OAHLLOKOSA-N 445.463 2.196 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 774166461 ODNHZLBXJZRHOC-WOIUINJBSA-N 431.602 2.496 30 10 IEEE C=CCOCCNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 780030004 SKPNQFANKMJNEC-QGZVFWFLSA-N 430.530 2.041 30 10 IEEE CCOC(=O)C1=C(COC(=O)[C@H](O)c2ccc(C#N)cc2)NC(=O)N[C@@H]1c1ccccc1 780203420 AFNOLMLCVJSHAS-WOJBJXKFSA-N 435.436 2.006 30 10 IEEE COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)CC(C)(C)C#N 790044027 HVHZLHRORZVCHQ-CQSZACIVSA-N 442.335 2.484 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)n1 790104497 PAQLNUUGAIVOIF-WMZHIEFXSA-N 436.556 2.491 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 792662047 QRNVLLNFSHETBK-IMBBRHANSA-N 434.495 2.359 30 10 IEEE CN(C)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(C(F)(F)F)c1 794580665 YXTJWTZUIPWGJG-INIZCTEOSA-N 448.470 2.200 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1F 797587230 SCGUPKMBRVMNPT-AUSJPIAWSA-N 426.510 2.089 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 806860966 ZTEVMCRHZOMDCK-OALUTQOASA-N 444.532 2.069 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812431821 QEWUGBZBOTVIMW-BRWVUGGUSA-N 434.541 2.361 30 10 IEEE C[C@H](F)CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 814709383 AUOYLUKUKZMPLE-ZLYHKZATSA-N 430.509 2.491 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 858042266 OAGGJPSAPSXYOK-KRWDZBQOSA-N 440.525 2.068 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1 1133070280 SCRHCAWGKKOQSN-IXDOHACOSA-N 430.509 2.370 30 10 IEEE COc1cccc2c(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)cnn12 1136287735 PFNWQHVKZABQSL-PTGBLXJZSA-N 427.486 2.408 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1140723891 QULSETDMECCCNK-CVEARBPZSA-N 439.944 2.177 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2c(Cl)ccc(I)c2F)CC1 1150001052 TYNFYMUWCVCZNS-UHFFFAOYSA-N 435.624 2.282 30 10 IEEE Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1154386917 NHBUYUNQVFNLHH-UHFFFAOYSA-N 442.520 2.489 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccc(C)c(C)c2)s1 1155118659 UCLZLRKVCNUQED-LJQANCHMSA-N 436.555 2.402 30 10 IEEE C#CCN(C(=O)COCCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1155367043 LERFVDJDXLCBAE-UHFFFAOYSA-N 439.553 2.389 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(Cl)c(F)c1 1158184540 YSXOLRVHWFJMJV-UHFFFAOYSA-N 439.896 2.493 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 1167741223 RHCPLUXASSJFDI-UHFFFAOYSA-N 444.451 2.258 30 10 IEEE C=CCC1(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CCOCC1 1192285719 HWRZIEZIBDXLDA-RTBURBONSA-N 438.546 2.067 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 1194801246 AODBWBBZJIVXST-UHFFFAOYSA-N 449.573 2.346 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCc2ccc3c(c2)OCCCO3)[C@H](C#N)C1 1225937959 NIXRNMJWZVDFRF-IAGOWNOFSA-N 430.505 2.449 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCCc1ccccc1 1286273384 DTZIUJKIMMSOGB-CYFREDJKSA-N 439.560 2.136 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286394057 UACGRWBQHPCOMU-WOJBJXKFSA-N 446.548 2.384 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1286450237 AXQWPVFKPOTWGC-UHFFFAOYSA-N 427.530 2.013 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)[C@H](C)CC)CC1 1286475834 HXRIOHVDJLOJHC-KOSHJBKYSA-N 439.560 2.269 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286553936 WHLHVVYCDJMWEB-AABGKKOBSA-N 441.557 2.421 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1286559967 BITTWJWNGCJVQR-IPELMVKDSA-N 429.496 2.017 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N2CCOCC2)CC1 1286654492 KAQXKQRJIAKUNX-UHFFFAOYSA-N 441.532 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1286787328 RQBPLWARDOIQNV-HXUWFJFHSA-N 442.527 2.368 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286833473 FEDWYUQGICGTRN-IBGZPJMESA-N 425.562 2.495 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1286962009 YZOBBROAKHTUMY-IKGGRYGDSA-N 446.577 2.441 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1287069123 HUDWYESHNONHFN-MRXNPFEDSA-N 431.541 2.274 30 10 IEEE CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1287103463 UWTBWJOHNAKOTP-GOSISDBHSA-N 449.563 2.247 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)C1 1288976290 WNMRBAZDOHQSSQ-HTAPYJJXSA-N 439.520 2.251 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1290781720 HAJIWOKVAZMOHD-SFHVURJKSA-N 435.415 2.318 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCCN1CCN(c2ccncc2)CC1 1292309188 NSRIUOCRVYTHEZ-UHFFFAOYSA-N 434.544 2.391 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1300416237 BPOAJWIARUYXOA-UHFFFAOYSA-N 449.584 2.473 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)c1occc1C 1300473513 XEMNQZDILAWANQ-UHFFFAOYSA-N 440.529 2.061 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300485002 SVILMOKFSNXUJL-QZTJIDSGSA-N 438.594 2.004 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300751879 VBWWRJJRPWRGPZ-HXUWFJFHSA-N 436.585 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300875937 QREHRLOIWCTBPM-PDGJWGCVSA-N 444.624 2.372 30 10 IEEE C=C(C)COCCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1301001948 QPCLWWBMSLFPGE-UHFFFAOYSA-N 427.615 2.419 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1301363482 USNYSYNZNCTWIZ-KUNJGFBQSA-N 442.632 2.203 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2ccnc21 1301799277 BQDAILHKJKAGKL-KRWDZBQOSA-N 449.519 2.066 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OC 1302428385 IBEAWPOVOLNBBK-ZBFHGGJFSA-N 444.937 2.035 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)N2CCCC[C@@H]2CS1(=O)=O 1307386189 FRUPCGWRXDIZEX-HUUCEWRRSA-N 436.559 2.497 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)CC1 1315000627 FHHUVSMOUVMEQP-UHFFFAOYSA-N 449.481 2.273 30 10 IEEE COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1316109428 DEQUDTBMVSELAU-UXHICEINSA-N 443.573 2.157 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1358933460 URDAEARRLNKACP-IAGOWNOFSA-N 430.553 2.163 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nnc2n1CCC2 1358973688 BAAXNVQKYVXEEK-UHFFFAOYSA-N 445.527 2.400 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CN(CC(C)C)CCO1 1359021424 OGFQZROJHBYUHW-JOCHJYFZSA-N 436.560 2.260 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1359036269 RUMCWWFDKIQTKM-NJDAHSKKSA-N 428.625 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1359045749 RRZWIZJBCYLDBH-DEOSSOPVSA-N 441.551 2.489 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1359055411 CXIDKZMSHWRYQH-ZWKOTPCHSA-N 447.511 2.452 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359058446 DKXXEIBFNMEPOD-SPEDKVCISA-N 427.574 2.403 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359346061 ZLNASUFRVVDFIM-UHFFFAOYSA-N 448.637 2.403 30 10 IEEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1438911317 SMSVOSVCNNBESY-CRAIPNDOSA-N 433.892 2.039 30 10 IEEE N#C[C@@]1(NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CCSC1 1442986029 JUUAQQJMZAIODN-OFNKIYASSA-N 437.521 2.401 30 10 IEEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1449232154 WEYFLBZMMWOVBG-SJORKVTESA-N 433.553 2.135 30 10 IEEE C[C@H](CN(C)C)[C@@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1454133921 XMMKLFNLWFALDM-UXPWSPDFSA-N 425.533 2.342 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)CC#CCN3C(=O)c4ccccc4C3=O)C2=O)c1 1459732434 DIMOXCMSYSUWJX-QFIPXVFZSA-N 447.491 2.041 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(c3ccnn3C)CC2)n(Cc2ccco2)c1C 1460723166 OIEHTFOTGBBSPU-UHFFFAOYSA-N 436.516 2.274 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1463803247 CBLYTJNFWXFFJD-QGZVFWFLSA-N 426.542 2.484 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 1468015932 BSFAIIJPDQZYAB-UHFFFAOYSA-N 438.601 2.269 30 10 IEEE C#C[C@H]1COCCN1C(=O)Nc1ccc(OCCOCCOC)c(Br)c1 1477162007 KQXIPUCJYLFGJF-HNNXBMFYSA-N 427.295 2.357 30 10 IEEE C#CCN(C(=O)NCc1cn(C(C)C)c(=O)nc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1479613920 AMTPCJOMNMCPGH-UHFFFAOYSA-N 447.536 2.074 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(=O)NC(C)(C)C 1503105013 HLKOYULMHQTKOG-UHFFFAOYSA-N 439.564 2.318 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1503213007 CHCNDXHKHKTLFJ-HTAPYJJXSA-N 427.505 2.149 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1503943536 HJMBOQLKOPHJMV-OWCLPIDISA-N 435.550 2.021 30 10 IEEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1504034117 IULVZAHXTHPIKT-GOSISDBHSA-N 446.502 2.398 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1507516082 ARMDSKLPAKBIKR-JTSKRJEESA-N 433.553 2.255 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507598818 IWATUGHAPLZXKV-HSZRJFAPSA-N 431.581 2.427 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC(C)C 1507603473 AZRZRXVDUYPUOS-UHFFFAOYSA-N 440.367 2.105 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507629873 XHRUKVSRMTZFHM-WBVHZDCISA-N 449.964 2.047 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507635279 QZAHQJIHQGUISD-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1507712989 VNNXMUNVUAKUAB-FUHWJXTLSA-N 449.515 2.169 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507713943 CPANCCWUFHBJNB-NZQKXSOJSA-N 444.507 2.420 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507740352 RAJZSDZQEVYIIN-UHFFFAOYSA-N 435.572 2.472 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1507750107 ITEZZAIZEMLMBK-UHFFFAOYSA-N 427.578 2.026 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F 1507755784 WBEPEYMCJVNRDT-AWEZNQCLSA-N 425.509 2.379 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@H](C)C1 1507772249 NHJUHRFFNQZDFX-MDAIXWLXSA-N 445.608 2.495 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1507774585 KLZOGQCTVIMRLB-CQSZACIVSA-N 434.342 2.150 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507916168 LIWDINRRYKGGBA-KRWDZBQOSA-N 445.568 2.236 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507954392 MSWUOMIGRMIHQR-ROUUACIJSA-N 445.593 2.042 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCc1n[nH]c(C)n1 1507996490 HUDNHGFRHQYVID-UHFFFAOYSA-N 433.520 2.150 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508111509 GQVIGVCIRPSHGM-IAGOWNOFSA-N 449.552 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C 1508149209 QJKSQWUPZIXOGA-UHFFFAOYSA-N 436.557 2.037 30 10 IEEE CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c(C#N)cn1CCOC 1515222802 UQQXZSWPSABHNM-FNORWQNLSA-N 438.440 2.166 30 10 IEEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1515246828 JGPGTUQRLRCINX-WNSKOXEYSA-N 434.500 2.076 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1515397099 FDGFTPGWGOCHTE-HXUWFJFHSA-N 436.541 2.468 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CCC(CC#N)CC1 1516833199 HZWVPJZAESMFNT-UHFFFAOYSA-N 446.577 2.413 30 10 IEEE CCOC(=O)[C@](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)(C1CC1)C(F)(F)F 1532474581 QBTAKIBFXYVGEL-GOSISDBHSA-N 428.411 2.462 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(Br)nn1-c1ncccc1Cl 1535417925 VHJXMWGBVZMSTJ-UHFFFAOYSA-N 426.658 2.212 30 10 IEEE C#CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)CCCC1 1536324905 IHHUOVKZUVKUME-UHFFFAOYSA-N 432.542 2.326 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539220849 VOZFDBKXAMSDTN-IBGZPJMESA-N 435.638 2.368 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1539230325 LUMJDISOLPSQOO-KRWDZBQOSA-N 444.488 2.264 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cn2ccsc2n1 1539421644 UWAOKKZFJXJJPD-UHFFFAOYSA-N 427.559 2.477 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ncccc2N(C)C)CC1 1539454102 WOUSJUGEZDJSOM-UHFFFAOYSA-N 433.535 2.273 30 10 IEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1539496662 BUFBSCKLRAKBEJ-AWEZNQCLSA-N 435.351 2.141 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539636858 MFFOGTIWPLAEQE-ZJOUEHCJSA-N 445.589 2.259 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539640528 IONMUARLIUFWQQ-WIYYLYMNSA-N 440.548 2.153 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(F)(F)C2)CC1 1539849549 XZNQQEJNCDRPFM-HOTGVXAUSA-N 445.536 2.203 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540020700 WAQVPXYFKUMSBY-UHFFFAOYSA-N 446.596 2.238 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CCO1 1541215115 CHLWVUHYEVKIHB-QGZVFWFLSA-N 428.493 2.398 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1541726019 RZPWBUCRTHUDML-WZONZLPQSA-N 444.580 2.363 30 10 IEEE C=CCn1cc(CNC(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)nn1 1557105970 YNHJUJCENRAQIG-UHFFFAOYSA-N 443.554 2.453 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 1557267200 NVYIUKQHWGCABI-QZTJIDSGSA-N 447.557 2.164 30 10 IEEE C#CC1(O)CN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)C1 1558691301 HZGRWLSBDAVGJX-JTHBVZDNSA-N 434.492 2.395 30 10 IEEE C#CCNC(=O)C1CCN(Cc2nc(Br)c(Br)n2CC)CC1 1560783698 LCDKDUFTJGCBCD-UHFFFAOYSA-N 432.160 2.389 30 10 IEEE C#Cc1cccc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 1562081420 VEYJJNIYSNWGMY-UHFFFAOYSA-N 429.498 2.019 30 10 IEEE COc1ccc([C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1564433722 SSPKHZOVCSFFHN-BWACUDIHSA-N 442.335 2.098 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OC)c1OC 1588011515 FAJOQKGBEXLDSJ-UHFFFAOYSA-N 425.514 2.405 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccnc2OCC)CC1 1588768231 BZHUDRQCBVZCQC-UHFFFAOYSA-N 447.499 2.451 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1588871976 UEMMEJYFBIBJHQ-VQTJNVASSA-N 439.560 2.294 30 10 IEEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1589125933 SBCNYCQRIKFUIB-QGZVFWFLSA-N 442.614 2.459 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589394330 CBUMKFGMMSZAMY-UHFFFAOYSA-N 432.388 2.314 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cccn1 1594895658 MGIRVUVOONTAQN-UHFFFAOYSA-N 429.550 2.104 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)cc1 1595614129 NWJSGIYWGDZRCP-LJQANCHMSA-N 425.533 2.454 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N2CCOCC2)C1 1595706093 HDUAFUKHRYUTDX-INIZCTEOSA-N 431.924 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC(C)(C)C1 1595788691 HCDKZNCWJFBTDK-UHFFFAOYSA-N 435.550 2.233 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cn(-c2ccccc2)nc1C(C)C)c1cc[nH]n1 1595829889 JWDAJUZKWKLPQL-UHFFFAOYSA-N 438.488 2.319 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1596781373 AYXAMRJTJZBPMG-MRXNPFEDSA-N 446.515 2.271 30 10 IEEE COc1cccc(OC(F)(F)F)c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1597441008 ZNONKSAPPCZKJB-UHFFFAOYSA-N 429.376 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@]2(C#N)CC3CCC2CC3)C1 1597575796 BWXKZGFSAPDKDS-NOKFLLHDSA-N 439.578 2.247 30 10 IEEE Cc1ccc(S(=O)(=O)NCCn2c(N3CC[C@@](F)(C#N)C3)nnc2C(C)(C)C)s1 1612156280 CTBBAMXIQZXGPU-GOSISDBHSA-N 440.570 2.366 30 10 IEEE Cc1c(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c(O)n(C)c(=O)c1C#N 1614794542 IRSYCDMMLDTGCN-AWNIVKPZSA-N 431.520 2.417 30 10 IEEE Cn1cc(Nc2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1618418020 DEBCAULCOQXIQQ-QZQOTICOSA-N 432.488 2.067 30 10 IEEE COCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619918328 SQZZQIWORWPXHF-UHFFFAOYSA-N 440.939 2.485 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)C3(C#N)CCSCC3)C2)C(=O)C1 1625562552 IJGPYOBHYWEVBK-INIZCTEOSA-N 436.578 2.094 30 10 IEEE C=CC1(CC(=O)NCc2cccnc2N2CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 1626060372 QHURAALINPGSEJ-UHFFFAOYSA-N 429.565 2.263 30 10 IEEE C=CCCOCCCCC(=O)N1CCN(c2ncc(I)cn2)CC1 1631573332 OZHKEHLGMNJPGU-UHFFFAOYSA-N 444.317 2.493 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@@H](C(N)=O)Cc4ccccc43)C2)C1 1632452704 BBCMWWSCBPEYPQ-CGRDCXJUSA-N 438.528 2.464 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 1639968298 FRQAJAXVLQTAAI-QGZVFWFLSA-N 449.529 2.250 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)C1 1645986880 OAEBZUFEXCBRSW-MGSYBHFQSA-N 432.565 2.143 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@@H]32)c1 1648465548 LRBPQAFOYVPKCE-NZSAHSFTSA-N 445.338 2.429 30 10 IEEE Cc1ccc(C(=O)N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1S(=O)(=O)NCC#N 1649058060 XGVJAGJMZLVSMR-PGRDOPGGSA-N 441.509 2.210 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)C1CCN(C)CC1 1652512264 OLCIYCWYLKWEFB-UHFFFAOYSA-N 445.610 2.439 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1653275037 ZAMJSVMTHLQAQX-ROUUACIJSA-N 435.590 2.385 30 10 IEEE N#Cc1cccc(Br)c1N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1655643948 BBFFAAWZUDDRHW-UHFFFAOYSA-N 435.347 2.477 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1670882530 PZZRONJWWYVSKP-RKDXNWHRSA-N 444.344 2.400 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 1670995654 AMRVDLJATHHGMV-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CCN(CC(F)(F)F)CC1 1681227092 NQDIUWSXPJWBDM-HIFRSBDPSA-N 433.475 2.414 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1689942911 HLYMGBRQGWZTAA-OKZBNKHCSA-N 442.564 2.087 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCC)c(OC)c1 1689966088 KRNGRZJLXCMTMO-GOSISDBHSA-N 446.573 2.485 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1690073834 IIAKSIBYQNOSQK-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1690077206 KTLHMLCLCLMTBH-IRXDYDNUSA-N 432.546 2.116 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@](C)(O)c2ccccc2)CC1 1690364262 MOOHWZQWLORYNC-LAUBAEHRSA-N 433.578 2.343 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1690428124 FMQVDGWQKKAOPI-MRXNPFEDSA-N 449.559 2.461 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1690452148 YDQZJABWIJLKLP-UHFFFAOYSA-N 433.520 2.398 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690506348 LCEBEOVTXSTIHC-IBGZPJMESA-N 438.536 2.047 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690665835 REXNPEGFTMRIKI-GOSISDBHSA-N 425.533 2.387 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1ncc(Cl)n1C 1690672913 HOEKZKFPELPMCI-UHFFFAOYSA-N 443.939 2.203 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)cc2)C1 1690710392 RVADZBULTSMSNQ-FQEVSTJZSA-N 438.532 2.189 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1697824035 GVNJPILIHMXICU-QFIPXVFZSA-N 436.560 2.446 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1705495026 JTRNPRXAAQMALQ-APWZRJJASA-N 432.546 2.463 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1705539732 ZVZNNEPGLAQSQE-NFBKMPQASA-N 442.564 2.062 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1705560716 MVNJASJCLXAOPB-KBPBESRZSA-N 426.493 2.058 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705567736 YQPSXGGEUCSXKN-WMZOPIPTSA-N 434.949 2.110 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705569971 IZBUPUHGYNCYLV-GOSISDBHSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(CO)c1 1705581737 KERFNAPEBFJPER-UHFFFAOYSA-N 441.539 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1705601899 COEZVQCXXDZAMG-OALUTQOASA-N 445.564 2.474 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705612062 XVMBIASGAPDRKG-IAGOWNOFSA-N 430.553 2.336 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1COc2ccccc21 1705630635 AUEFNSMZQWQZLT-WFXMLNOXSA-N 426.517 2.264 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnccn2)CC1 1705656258 TYMXPUHMRCNLHL-UHFFFAOYSA-N 440.964 2.477 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1705728010 PJZPEZHQYRLIDQ-UHFFFAOYSA-N 425.493 2.211 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1705738924 PBSCJCNAZQZJEJ-UHFFFAOYSA-N 434.544 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1722293044 BIPOFVWDCQTAOP-KRWDZBQOSA-N 444.543 2.057 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1722371062 GRJXCOGFTCACDN-NZQKXSOJSA-N 442.585 2.259 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1OC)N1CCCC1 1722381922 WDGHULGTNZOBNS-NHCUHLMSSA-N 446.555 2.148 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nccs1 1722419080 MXCRQXBWTUGABY-UHFFFAOYSA-N 444.948 2.452 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722482210 GGEDFXLQPVDGNT-KBPBESRZSA-N 428.331 2.406 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCS(=O)(=O)CC 1722509322 MQQKQKFGNJMCET-FXAWDEMLSA-N 433.578 2.116 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1722642176 SSEKTPLAXLTQND-UHFFFAOYSA-N 427.530 2.369 30 10 IEEE C=CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722645381 KRTORQUQDBCLFN-INIZCTEOSA-N 431.562 2.390 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCOCC2)C1 1722722789 RQBUMVPJYHHHDP-GOSISDBHSA-N 444.532 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCO[C@@H](C)C1 1722752177 XSQKMEOHTIIKRU-HNNXBMFYSA-N 435.506 2.069 30 10 IEEE CCOCc1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1729005295 XWQAFCIXEWJHCA-ZBBYCGENSA-N 428.537 2.500 30 10 IEEE COc1ccccc1-c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1730270515 WVDIPBOWSRQQLL-INIZCTEOSA-N 427.486 2.090 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740583758 YOMOJOCDFKTDSF-MRXNPFEDSA-N 429.322 2.335 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1740620863 YLWCPSQLKNMLQS-NRFANRHFSA-N 446.536 2.081 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccs1 1740639872 GMSMGTOMNYRHNK-MRXNPFEDSA-N 442.545 2.164 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(C)O)c2)CC1 1740818333 HJRZDLWVVWOUGI-INIZCTEOSA-N 433.578 2.320 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740851422 WAURYKBLVCJVKH-FGTMMUONSA-N 438.594 2.167 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)F 1740940695 PIUKUEVSNVVSGU-UHFFFAOYSA-N 432.472 2.439 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1740975628 CSUHVILMMUHXGG-VQTJNVASSA-N 427.597 2.328 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(=C)CC1 1740991412 WDEHEKNVPGBEPA-UHFFFAOYSA-N 440.529 2.351 30 10 IEEE CC1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1742007233 PUMQWJPYBVPBMK-GWOGKKTRSA-N 444.536 2.050 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2OCCC2(C)C)CC1 1746524540 RPONDHGWUVLPIJ-IBGZPJMESA-N 437.548 2.483 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1748673279 FCEUXYNXJFZKMU-BZSNNMDCSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1748821652 RZVYENLMKKFBSS-INIZCTEOSA-N 433.603 2.486 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(N(C)C)CCOCC1 1748859814 MYRYEWCEBVOXEW-UHFFFAOYSA-N 425.508 2.180 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCS(=O)(=O)CC1 1748920717 QMDRYFSDPFWYOC-UHFFFAOYSA-N 438.557 2.415 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)C2CC2)CC1 1748977017 CBKOLKKHMMBYMG-HXOBKFHXSA-N 427.524 2.473 30 10 IEEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1748993204 QUUNEERWIQHDKO-GBESFXJTSA-N 428.581 2.099 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1749134090 UKARITKBUKUNCE-WIYYLYMNSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749231381 OFYKSXRFQZRXIV-SFHVURJKSA-N 439.626 2.464 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnnn1CC1CC1 1749506058 BHZDBWFKBNGHLR-INIZCTEOSA-N 443.556 2.417 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1)C1CC1 1749519376 KONVHLNBYXBABQ-QGZVFWFLSA-N 435.594 2.128 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1750009538 VJNFLMNIQXOLFN-PXNSSMCTSA-N 428.537 2.040 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)COCCO1 1750474869 OJFPTAXEMJHCPH-HSZRJFAPSA-N 439.564 2.265 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCO2)C1 1750510458 RMTJDZOOPVHTKI-MHORFTMASA-N 444.536 2.123 30 10 IEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1750648593 GVFIQPOQRVYQKN-HXUWFJFHSA-N 442.589 2.030 30 10 IEEE CC(C)CSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1750871127 RCFNMXWQDKDERT-KRWDZBQOSA-N 449.602 2.467 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1751092608 YDYVFBVSFQJTMK-CABCVRRESA-N 432.506 2.416 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCN1CCCS1(=O)=O 1760125942 WJVGMKFWQXHOEH-MRXNPFEDSA-N 449.602 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCC1 1760216659 WOYHGNAWTGUPNI-UHFFFAOYSA-N 443.555 2.141 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1760233631 ZLTLWRWZPMRKKX-SFHVURJKSA-N 433.560 2.383 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760335492 NHLAXNATSVSUTC-MANSERQUSA-N 440.610 2.413 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760354619 IDLODFMOLAPKTH-QGZVFWFLSA-N 438.536 2.264 30 10 IEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)N(C)C)CC1 1760402191 JDJKQBOUPMRCKB-UHFFFAOYSA-N 439.532 2.441 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1760547599 NUDPYJXDSIBDFP-NBCNXNJRSA-N 432.496 2.317 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1761356319 DWYGPYBQPDAJSG-IRXDYDNUSA-N 449.519 2.064 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1765656088 HJSOTKGQNOLTCL-QGZVFWFLSA-N 445.474 2.092 30 10 IEEE CCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1766295352 DFSGXEVPEYACDS-MSOLQXFVSA-N 427.505 2.356 30 10 IEEE CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766574962 ITIHGYASXOGRDB-IBGZPJMESA-N 447.499 2.411 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1768708205 CAZFNFRMGGNVAA-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(C(=O)N3CCCC3)C2)[C@@H]1c1ccc(C#N)cc1 1848980263 ONJWHXJLSUIHMW-LEWJYISDSA-N 440.569 2.033 30 10 IEEE Cc1ccc(F)c(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)CC2=O)c1 1850662416 IEBXNKHVSNHOFT-IBGZPJMESA-N 440.519 2.488 30 10 IEEE N#Cc1ccc(CCC(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 1850676004 DAIWHCXHKGNJCN-UHFFFAOYSA-N 436.493 2.247 30 10 IEEE COc1cc2ncnc(N(C(=O)[C@@H]3CN4CCN3CC4)c3ccc(C#N)cc3)c2cc1OC 1851094809 XVWQSWZUHAPPSQ-FQEVSTJZSA-N 444.495 2.183 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)CO2)nc1 1852466270 ITOVCCTXJXFUJI-IAGOWNOFSA-N 426.860 2.319 30 10 IEEE N#Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nn2)c(I)c1 1852493280 POXNGQSMCWXXNF-UHFFFAOYSA-N 435.225 2.042 30 10 IEEE C=CCN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C#N)cn1 1852863329 YWLXMGOHEKYGCD-QGZVFWFLSA-N 432.889 2.353 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)c1 1854749197 SLFMNYJINICDSG-UHFFFAOYSA-N 426.498 2.022 30 10 IEEE COc1cccc(-n2nc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)c(O)cc2=O)c1 1859651623 TUAYPYBJSBKPEN-UHFFFAOYSA-N 428.408 2.256 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C)cc1 1862605317 QQWVGLOQFQIONR-OAQYLSRUSA-N 436.464 2.481 30 10 IEEE C=CCN1C(=O)C(NCCCN2CCCC2=O)=C(c2ccc(Br)cc2)C1=O 1863559799 CLCAYUWYGKTMSO-UHFFFAOYSA-N 432.318 2.317 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1 1866204109 KCYDVVXFXUYDHH-DNVCBOLYSA-N 433.443 2.312 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1 1869027216 LVTSKMMRTWNDDD-IBGZPJMESA-N 439.553 2.320 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002527 NZTLGJJSTKVIKR-QGZVFWFLSA-N 433.509 2.136 30 10 IEEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871498676 YZYMCRJDRJNAKB-UHFFFAOYSA-N 426.443 2.175 30 10 IEEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(N3CCN(CCO)CC3)ncnc21 1873561891 DQJODCXEDMEXOB-UHFFFAOYSA-N 428.581 2.384 30 10 IEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 1877185503 FZCDZPXLGJOBAL-NSHDSACASA-N 426.315 2.330 30 10 IEEE C=C[C@@H](O)C[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883403033 RACMYMDFKMIGRS-XLMNVWOYSA-N 429.494 2.274 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCCC3)SCC(=O)N2C(C)C)cc1 1889294359 ZJXONOJYTHCOCI-FGZHOGPDSA-N 429.586 2.304 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c(OC)c(F)c3)CC2)CC1 1889426121 KBLDURXTIYPLCT-UHFFFAOYSA-N 435.515 2.236 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3SCC(=O)N(C4CC4)[C@H]3c3cccnc3)CC2)c1 1892118038 OKLIOXPJXDPMTC-GOTSBHOMSA-N 447.564 2.450 30 10 IEEE C=CCN(CC(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985006172 AAXSKFJWSWRCMD-OAQYLSRUSA-N 427.542 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128729576 FAYYABXZGURMSR-GOSISDBHSA-N 446.353 2.238 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2COC[C@H]12 2224079401 INZQTBBUGABRIY-ZACQAIPSSA-N 431.342 2.109 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2247905895 KOOIKDOGZNTHGK-STQMWFEESA-N 435.355 2.276 30 10 IEEE Cc1ccnc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255634295 OWKYVQAQXVVXTG-UHFFFAOYSA-N 431.342 2.428 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255650907 RZMIZYTZFLDJMX-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255697457 HUXISLPSFPZHQS-KOMQPUFPSA-N 431.342 2.414 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2255697816 DOYGPFWPPGAQFH-HOCLYGCPSA-N 433.358 2.357 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255844073 QCVZUINFYGZNDI-AWEZNQCLSA-N 436.362 2.047 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094759 APDGVRSGGMMAAK-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267138083 VNUNJEXIXITAQT-KBPBESRZSA-N 446.357 2.084 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2267138243 WGBMNWDGYGQSLW-CABCVRRESA-N 448.373 2.426 30 10 IEEE Cc1ccnc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2267512200 LRUSLKGDSRIEAO-GJZGRUSLSA-N 443.353 2.284 30 10 IEEE CC(C)[C@H]1[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267515043 IQYPKEYGHOSPDA-HOTGVXAUSA-N 448.373 2.473 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 2267528966 IAVWGYXFQYDUAI-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268717197 JJXWGAJLMMLDAG-CABCVRRESA-N 447.341 2.249 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C[C@@]23C[C@@H]3NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268717625 LXZMKVCAURYGSC-LIEFOEBCSA-N 444.341 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268791910 AUEXHVDSXBFYSE-JKSUJKDBSA-N 447.341 2.392 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(CC(=O)O)Cc1ccccc1 2269070792 JUGHNYNLJPGUSU-UHFFFAOYSA-N 442.321 2.204 30 10 IEEE O=C(O)CN1C(=O)C(=O)C(=C(O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 2296929585 LUAZUANTMXRDIM-MRXNPFEDSA-N 427.325 2.009 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)NC)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 2297649848 DGAUDBLRNZEWTD-IRXDYDNUSA-N 437.466 2.427 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2300306499 XGMHJANSMYBHTF-WDNDVIMCSA-N 435.355 2.037 30 10 IEEE CC#CCN(CC(=O)O)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2315989662 SGQDJGJJWSQNAI-UHFFFAOYSA-N 443.544 2.482 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2329045165 SXRJHYVMLYUOAQ-OAHLLOKOSA-N 432.506 2.267 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2336375164 HLRNVWCQLTZXGM-HNNXBMFYSA-N 448.373 2.426 30 10 IEEE COc1cccc(CNC(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)c1 9860344 XJWSNGCOSLLNPD-ROUUACIJSA-N 431.539 2.115 30 10 IEEE COc1ccc(/C=N/N=C(\N)c2nonc2N)cc1Cn1nc(C)c(Br)c1C 19645629 QDXVRHVIEJHACB-QPSGOUHRSA-N 447.297 2.024 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)NCc3ccc(F)cc3)n2N)cn1 20921438 QUSZGKWSWVRKED-AUEPDCJTSA-N 445.528 2.153 30 10 IEEE CC(=O)Nc1cccc(OCC#CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 90732175 UHQYBNVWDOYXPH-UHFFFAOYSA-N 433.464 2.220 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1 105283386 RWOIOEBMRIMHRZ-UHFFFAOYSA-N 436.493 2.483 30 10 IEEE CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 106274013 IKHZTMHEGPGFSH-NRFANRHFSA-N 432.590 2.044 30 10 IEEE CCCCOc1cccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254696993 HYSBNZPIZJDCSW-JKSUJKDBSA-N 440.543 2.332 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CCC1 430979762 XDQXMXZWRHYVMZ-UHFFFAOYSA-N 447.564 2.240 30 10 IEEE CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CCN(c2ccccc2F)C1=O 435012883 LJKLIDPRRJFZJI-QGZVFWFLSA-N 425.464 2.456 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC1CCC(C#N)CC1 441255663 FMEDRJZWJSAEIR-UHFFFAOYSA-N 436.534 2.168 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)cn1 462098244 ARDWERBKJKWZJF-UHFFFAOYSA-N 445.483 2.161 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 468009012 HOONXEDTUUHWBQ-UHFFFAOYSA-N 448.497 2.239 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c(C#N)cn1CCOC 481474614 BWWYQCYPWXCBEV-INIZCTEOSA-N 445.520 2.049 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cn2)C[C@@H](C)O1 487802494 PFXGJAYWCNOJKD-MBOZVWFJSA-N 436.516 2.325 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)C2)nc1 490059544 HUXRBRZDAISRDO-GOSISDBHSA-N 438.509 2.021 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCOc1ccc(C#N)cc1OC 504037486 VPILQIKCERBDMH-UHFFFAOYSA-N 429.498 2.223 30 10 IEEE N#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CC1 505921868 CDFJXPHNCCDGKC-CJNGLKHVSA-N 426.336 2.268 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)s2)CC1 508885264 NXIAHXDULPZFBR-ZDUSSCGKSA-N 445.014 2.111 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CCCOCC(F)(F)F)CC3)cc2C1=O 521002980 ZXNMBAOOANBUEU-UHFFFAOYSA-N 439.434 2.195 30 10 IEEE CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 523002203 AIUDSXFQRTYFHL-UHFFFAOYSA-N 447.516 2.281 30 10 IEEE COc1cc([C@H](C#N)NC(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 524246462 RRHYAWFCYXMVSR-FQEVSTJZSA-N 438.528 2.211 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 533055791 UDGQNXKYPUENJU-VIHQBZHPSA-N 431.625 2.182 30 10 IEEE Cn1c(=O)c2cc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)n(C)c2n(C)c1=O 540196733 SJGKFXIKCJAJFR-UHFFFAOYSA-N 427.464 2.044 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2nccc(OC)n2)CC1 555250176 DIKIQAJXIPBBJO-UHFFFAOYSA-N 435.488 2.375 30 10 IEEE COC(=O)C[C@](C)(NS(=O)(=O)c1cncc(C#N)c1)c1ccc(Br)cc1 569626676 CPVYDTNXPQWWOQ-KRWDZBQOSA-N 438.303 2.473 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)CNc3ccc(-n4nnnc4C)c(OC)c3)cc21 586264479 ZSCPWQAQAQBDOK-UHFFFAOYSA-N 434.456 2.186 30 10 IEEE C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](c2ccccc2)O1 587665315 NFXKKNAZAIAWCY-UWJYYQICSA-N 433.512 2.027 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1 609640627 LYVOFSPYEVVTPB-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 726179897 ZVAXFXGZCWCGOV-UHFFFAOYSA-N 431.521 2.013 30 10 IEEE C#CCN(C(=O)CSCc1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 729335216 JVWMSSFOSSNKHK-CQSZACIVSA-N 434.352 2.470 30 10 IEEE CN1C(=O)C[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccc(Cl)c1 734704638 UAAFVUSWASSOFB-MJGOQNOKSA-N 431.901 2.377 30 10 IEEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 744627662 WNMYUJXJBSMXSP-WMZOPIPTSA-N 447.557 2.086 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1 747866378 JEKNRKALNUMUKV-UHFFFAOYSA-N 433.917 2.282 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(=O)[nH]c21 754707984 ZELWIJJTVKTTEU-AQWUKCDYSA-N 444.495 2.108 30 10 IEEE N#Cc1c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cccc1S(N)(=O)=O 754973090 HUJCGRBVOIAHPD-UHFFFAOYSA-N 428.558 2.071 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCCO3)c2=O)cn1 758098567 SFPLXCFSAOAJAY-KRWDZBQOSA-N 442.585 2.204 30 10 IEEE CNC(=O)c1cccc(OCC(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 758830443 AGHUPJUAMPUIPT-OAHLLOKOSA-N 427.432 2.443 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2Cl)C1 760303112 ZBZMISYVOSJBEF-SWLSCSKDSA-N 437.953 2.211 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768051860 SGOPZDULNOBTQZ-OAHLLOKOSA-N 426.342 2.043 30 10 IEEE N#C[C@H]1CN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CCN1Cc1ccccc1 779938158 CXMDNQVKOYSPBN-WIOPSUGQSA-N 448.523 2.308 30 10 IEEE C[C@H](OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(=O)NC1(C#N)CCC1 787567032 PZRAQVFBBITZIU-JXFKEZNVSA-N 445.475 2.388 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)C1 791984015 UEZMIFYZZSMIMY-QGZVFWFLSA-N 430.505 2.491 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 806353221 FSIUSYLSSBMKDP-UHFFFAOYSA-N 433.555 2.114 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)n1 806805136 UNMILEIBWAXHQI-UHFFFAOYSA-N 428.468 2.256 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 811453285 IRTQTXGIKOOXNG-HUUCEWRRSA-N 440.422 2.231 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 812040455 WCNVRXDVDABCBV-QGZVFWFLSA-N 432.546 2.388 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCO1 812442074 OSPOVMQOTLTDDQ-RTBURBONSA-N 443.548 2.228 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)COc3cccc(Br)c3C#N)C2)n1 856714041 LMBHBARIHCTOKV-IBGZPJMESA-N 449.305 2.241 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2c(O)nc3ccccc3c2=O)cc1 915405666 UOZLSKJVGDBOBC-INIZCTEOSA-N 434.452 2.289 30 10 IEEE COCCn1c(=C(C#N)C(=O)Nc2ccc(Cl)cc2)sc(=Cc2ccccc2)c1=O 916200513 DLJSUDZIWWAVOO-UHFFFAOYSA-N 439.924 2.351 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1O 1084513450 ZBOPRXYMXPCCEA-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 1124383219 HZXZALVQYOMSBU-QGZVFWFLSA-N 427.526 2.279 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)nn1 1129930958 WMYGFZOQPBTMAC-QAPCUYQASA-N 447.561 2.260 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-c3nc(C)no3)cc2)s1 1138082004 QPJWHZISFQQRCW-UHFFFAOYSA-N 432.527 2.430 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C#N)s1 1142519087 JJYXMSIZQLDQRY-INIZCTEOSA-N 439.946 2.123 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nc(C3CCC3)no2)CC1 1151947763 XRNJFKZPZJYTDZ-AWEZNQCLSA-N 443.529 2.282 30 10 IEEE C#CCN(C(=O)C1CCC(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1155366634 BZTPKQPTAMLGSI-UHFFFAOYSA-N 426.579 2.451 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)CC2)c(F)c1 1158888464 GFPSUGTWEJDKKX-HNNXBMFYSA-N 444.898 2.458 30 10 IEEE CC(C)(CO)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cccnc1 1194674359 GCJOQGCWIKKBAA-JTHBVZDNSA-N 439.535 2.279 30 10 IEEE C=CCN1CCC(NC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CC1 1226834162 NKNMBWGBHWUCJT-UHFFFAOYSA-N 441.620 2.307 30 10 IEEE CN(CCOCCNC(=O)N1CCN(c2ccsc2C#N)CC1)C(=O)OC(C)(C)C 1231232152 MFDVAHFFPWFKBO-UHFFFAOYSA-N 437.566 2.335 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1286281724 IJEIRLRQZUBEGC-HNNXBMFYSA-N 432.546 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286286802 ALKOBMZPRPYPNZ-PXNSSMCTSA-N 426.540 2.485 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCOCC1 1286457297 LNOKJSILBWNVME-QGZVFWFLSA-N 432.496 2.185 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286507535 JWBYDYWDKJTXFI-IBGZPJMESA-N 426.590 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnn(C)c1 1286778937 BVHJKJZPEMMWSD-UHFFFAOYSA-N 431.504 2.007 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286832632 MHUFTSFHXDRKSF-ZWKOTPCHSA-N 434.610 2.283 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287012840 UZQLTZAINHTZBT-SISFKGJESA-N 440.504 2.273 30 10 IEEE CC(C)(C)n1nnc(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 1293136208 DIOLPWIRNFWWIM-MRXNPFEDSA-N 446.353 2.142 30 10 IEEE CCn1cnnc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1295965644 AGILYIFZJIYTLH-UHFFFAOYSA-N 439.549 2.059 30 10 IEEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C(=O)OC 1299178604 HIJBPHJSLLYJKJ-LJQANCHMSA-N 434.558 2.002 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](Nc3ncccn3)C2)C1 1299886029 KKJHJSVLLLGAEL-MRXNPFEDSA-N 427.306 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1nc(C(F)(F)F)cs1 1300506437 UCQQOPXRXVMVNT-UHFFFAOYSA-N 436.463 2.305 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1300631657 VFRUVKZEQOKOIR-GOSISDBHSA-N 443.552 2.022 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1300643834 NUQKJFIDGQFHIY-KRWDZBQOSA-N 432.546 2.150 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301246128 MLEMODGKKZYNLH-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1301270145 CPXCRUTYYNZLKC-GFCCVEGCSA-N 428.356 2.483 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC)C1CC1 1301327346 QCTJTSYGJOQDMD-QGZVFWFLSA-N 448.568 2.220 30 10 IEEE Cn1nc(O)c2c1CN(C(=O)[C@@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)CC2 1301840279 ZTBQDROAFBZRAS-IBGZPJMESA-N 437.500 2.417 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1302793348 IOIXJGNNYPSWOY-QGZVFWFLSA-N 449.602 2.353 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCCOC(F)F)cc1 1302993793 GOCVHZXOVYXDQJ-CVEARBPZSA-N 449.414 2.472 30 10 IEEE CC(C)CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1303112675 IIMQNJZGSLADAF-MRXNPFEDSA-N 426.587 2.081 30 10 IEEE Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1304307974 NONPMCCODBULIV-AOMYARPXSA-N 440.504 2.377 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)[C@@H]1C 1305256044 MIQAYYNBMJODMD-KEYYUXOJSA-N 439.545 2.135 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1305637744 URFBHDAZKMYZET-OAHLLOKOSA-N 441.536 2.441 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1306533419 GWGWKZXNVXVUFT-OPAMFIHVSA-N 435.536 2.201 30 10 IEEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1306760884 LHVJXGOHHORGKI-UHFFFAOYSA-N 425.537 2.485 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1313854373 AJPMFGFQGWMRLJ-UHFFFAOYSA-N 434.504 2.171 30 10 IEEE CCOCCOc1cc(C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1314504506 YOWHAQPOURBQRW-WOJBJXKFSA-N 441.532 2.283 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1358882372 YSAWQOCADNIERS-GOSISDBHSA-N 431.544 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(F)c1 1358994316 JVBHHYQCFZIUML-SFHVURJKSA-N 444.532 2.034 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1359097571 QJIDXFVEAABZDS-FXAWDEMLSA-N 427.553 2.012 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1359106535 HLRJJEVGBXWXEF-MMKMLUHNSA-N 447.580 2.042 30 10 IEEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1 1359219374 OZPZEOYXUCCLNU-UHFFFAOYSA-N 435.576 2.458 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCOC1 1359222194 BCLYUWHQSLADEL-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359228891 RVFQILGVYHYYCU-GOSISDBHSA-N 430.578 2.428 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1ccn(C)n1 1359255134 PHAWLJDKNBDAEI-UHFFFAOYSA-N 430.516 2.360 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1359262994 MKXHPEXXXUHXQZ-KRWDZBQOSA-N 440.529 2.393 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@](C)(O)c2ccccc2)C1 1359324370 JSEOGMYKJXJMCY-GBXCKJPGSA-N 439.560 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1359335886 XTUMFLUVKUIEGP-QFBILLFUSA-N 432.546 2.455 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1359476335 BRXADZUSHBXZNR-VQIMIIECSA-N 442.545 2.292 30 10 IEEE C=CCCn1cc(C(=O)Nc2ccccc2C(=O)NCCNC(=O)OC(C)(C)C)nn1 1436058552 AWGIWEHZBOQBMI-UHFFFAOYSA-N 428.493 2.361 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)CC2)c1C#N 1436555760 HQJDQTJGPXPWRD-UHFFFAOYSA-N 430.555 2.469 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)s1 1444851696 NWNYJZUUGLXRTG-YOEHRIQHSA-N 433.555 2.065 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 1465367839 NHVZWNPCYSKHEN-RDWWUUERSA-N 445.589 2.499 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 1467238913 XQGTWYCMALGMSC-CQSZACIVSA-N 443.591 2.271 30 10 IEEE C[C@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C)N1CC(F)(F)F 1478403435 KFQALWQWYFAZQI-XGUBFFRZSA-N 433.475 2.412 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)cs1 1492675365 VUEUEBMVZUIAMD-YWZLYKJASA-N 433.557 2.044 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1501204253 MBRRAAMIHOKOMI-PMACEKPBSA-N 438.532 2.148 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCOC1 1504873874 MCCRDMQDWMDYNY-UXHICEINSA-N 438.532 2.180 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1507635768 VFMAFMABDYRORK-INIZCTEOSA-N 431.562 2.191 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507659059 ULHKZDSXKWSZBD-SFHVURJKSA-N 444.580 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1Cc1cn(C2COC2)nn1 1507672567 CJDODLPOHHLBNN-UHFFFAOYSA-N 429.528 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCOC1 1507706828 OXDHLGQSSBLGNG-QGZVFWFLSA-N 441.351 2.007 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCOC2)CC1 1507734111 GVTVQKMUEAORKR-SFHVURJKSA-N 437.544 2.346 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1507954798 PQPKSRGYFBPHDP-IAGOWNOFSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508084392 AWQPKCNKJFLLHB-QHCPKHFHSA-N 436.491 2.188 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C)c(C)s2)C1 1508126759 SFZSLRGPPMAYNP-HZPDHXFCSA-N 437.591 2.083 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508134975 BRLHQTQPMXWXFW-VQTJNVASSA-N 441.557 2.280 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1508169043 XCGZMQRTAXWXAE-PXNSSMCTSA-N 433.582 2.282 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1508700996 CNOJYXVTVRWPIO-INDMIFKZSA-N 433.553 2.121 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2c3c(nn2C)CCSC3)c1 1516186074 WKDHOFYJPKJPPN-XLNRJJMWSA-N 433.559 2.275 30 10 IEEE O=C(C[C@H]1CCS(=O)(=O)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538726063 FVYCXGZWTHLEDS-HLTSFMKQSA-N 429.329 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1539028802 DAGTZRMQVNOTBU-HZPDHXFCSA-N 429.546 2.271 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1539328721 XJSNLQIZSKVODT-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1539519130 CDSIVAFMEIYSRA-GCJKJVERSA-N 427.574 2.405 30 10 IEEE C=C(C)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539733978 XOQUSBISGHIEHY-QFIPXVFZSA-N 432.569 2.279 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539733988 XVLKCTFOHJYHBB-HNAYVOBHSA-N 445.486 2.400 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539787089 HXNPHOAPHQCASY-INIZCTEOSA-N 430.896 2.179 30 10 IEEE Cn1ncc(Br)c1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1540410750 IBVZQIATKYHBCY-UHFFFAOYSA-N 445.277 2.194 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)c1ccco1 1540866348 KNRRDZPPNGPSLS-HNNXBMFYSA-N 433.476 2.013 30 10 IEEE C[C@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCOCC(F)F)C2 1542021670 GLEZOJOGYWLOOC-FQEVSTJZSA-N 432.431 2.129 30 10 IEEE CCN1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)C1=O 1547723264 FSEZSLVXRQRFLO-UHFFFAOYSA-N 437.548 2.314 30 10 IEEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1)C(F)(F)F 1554627192 QATNBZKSGGLCHK-AWEZNQCLSA-N 428.459 2.498 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1554689409 XOZJAHAWBLPYPV-LSGABVIPSA-N 428.537 2.467 30 10 IEEE C#CCN(C(=O)[C@H]1CCc2nnnn2CC1)[C@H]1CCOc2ccc(Br)cc21 1565764514 PMABJQCQUQBZBP-BBRMVZONSA-N 430.306 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1587561362 DGFCNOQAORVNBY-CVEARBPZSA-N 443.577 2.095 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1587842906 WVXNYOGOXKSYRW-UHFFFAOYSA-N 439.470 2.333 30 10 IEEE Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1-c1ccccc1 1587972480 TZQBIXRZFJODKX-SFHVURJKSA-N 429.440 2.291 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCCC1 1588128132 DCESIBXEPVLQKL-UHFFFAOYSA-N 443.555 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nncn1C 1588200455 QNIJOSAEDWAELD-UHFFFAOYSA-N 433.516 2.381 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588253865 HGEDJCDFNRAPBB-UHFFFAOYSA-N 425.480 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCCCC1 1588659843 OUTNNBLIRXHAJU-UHFFFAOYSA-N 427.524 2.497 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)nc2)CC1 1588751189 JGZZCEIQGYPYPJ-QFIPXVFZSA-N 444.967 2.171 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1588969145 VZHHZFAOYQCOPU-HXUWFJFHSA-N 439.585 2.328 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC(C)C 1589544387 GPOSAPISPDGYJO-QRVBRYPASA-N 440.610 2.270 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)cc1 1593752649 MEPLSSHSLVNKMA-OAQYLSRUSA-N 438.484 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595778039 UWHLCTBNDHCLOA-PXNSSMCTSA-N 440.573 2.090 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)cc1 1603411865 XGLVILBQECTFHX-UHFFFAOYSA-N 440.529 2.337 30 10 IEEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1614276996 ODULBEVJDHDEGW-JXCVUKRWSA-N 431.504 2.315 30 10 IEEE CNC(=O)c1cccc(CCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)c1 1618613000 XDLWGNVUASRCAM-OAHLLOKOSA-N 449.515 2.204 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1619615720 JCNWVBPJPALEIJ-IBGZPJMESA-N 439.495 2.420 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C(=O)OCC 1624251964 NYJYKPSIOUKWFZ-OAHLLOKOSA-N 444.937 2.284 30 10 IEEE COc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)c(F)c1 1626655775 LIMJTDKYMAWPCY-BUXKBTBVSA-N 435.502 2.277 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1627109456 YVKFUKULKGQSQJ-IWSPIJDZSA-N 444.344 2.040 30 10 IEEE CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1628662857 LRLVPUIGENSGPB-UHFFFAOYSA-N 444.532 2.017 30 10 IEEE CCOC(=O)[C@@]1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCc2ccccc21 1629424104 MLOYISDESZWYNM-OAQYLSRUSA-N 430.457 2.258 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CCC3)[C@@](F)(C(=O)OCC)C2)s1 1640320392 LMBSLABELKTTQX-IBGZPJMESA-N 444.550 2.039 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1640795071 WKMHBYTVCRKHKG-QUCCMNQESA-N 434.583 2.130 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C#Cc1cccs1 1641024131 OXGZDNSDINEWHK-UKRRQHHQSA-N 430.448 2.479 30 10 IEEE Cn1cc(O)c(=O)cc1CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1643949048 CZLZKYKDROKWOI-HXUWFJFHSA-N 438.484 2.113 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CCCCCC1 1648028833 PLSIVYVQQONTTF-QGZVFWFLSA-N 445.520 2.068 30 10 IEEE N#Cc1c(NC(=O)CCN2CCc3sc(S(N)(=O)=O)cc3C2)sc2c1CCC2 1655127505 PMNMFPQYLPCQTB-UHFFFAOYSA-N 436.584 2.204 30 10 IEEE COC(=O)c1ccc(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)nc1 1655845877 IFYYCEGVEYKLOV-UHFFFAOYSA-N 428.239 2.120 30 10 IEEE CC(=O)c1nn(C)cc1OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1656954866 XWBIMQQOCFROGT-HNNXBMFYSA-N 425.489 2.371 30 10 IEEE C#CC1(O)CN(CC(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)C1 1660507987 OJBDMMOKOMMRCB-UHFFFAOYSA-N 437.496 2.355 30 10 IEEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CCC1 1673018792 VFPOMCIYHRLYCE-UHFFFAOYSA-N 446.573 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1689831860 SPHRFCSOLZZAAT-FDDCHVKYSA-N 435.532 2.406 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 1690661009 SLRSFPNFPKPUKL-ROUUACIJSA-N 440.548 2.039 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)N2CCOCC2)C1 1690693910 HZCRYKOCUGVXDB-CTNGQTDRSA-N 428.581 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690719894 UYXWBKQFRZNEQS-PKOBYXMFSA-N 445.589 2.227 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)C1 1690809254 FSNKTOPMTAIBQV-NVXWUHKLSA-N 448.531 2.448 30 10 IEEE CCN1CCN(CCCn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)CC1 1695903108 FCIZDRXIMTXMOK-FQEVSTJZSA-N 449.607 2.140 30 10 IEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1)S(C)(=O)=O 1696754291 RJOQELUQLNFEKS-YTQUADARSA-N 446.552 2.455 30 10 IEEE CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1696802092 AJDJFHDTTZAIBA-DYESRHJHSA-N 446.552 2.149 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705527002 PGWMTWGCCWAGQN-UXHICEINSA-N 444.557 2.146 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1705612041 XGDRPBHOSNRVQY-QGZVFWFLSA-N 436.516 2.497 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705739283 ARLPOJPXQJMYSQ-HSZRJFAPSA-N 425.533 2.475 30 10 IEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1)c1ccccc1 1705742610 ARSPFQPJVPWFOH-UYAOXDASSA-N 429.590 2.424 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760142 BDRRIQURUDAMEP-YLJYHZDGSA-N 427.977 2.228 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1705825189 MBVXDNLSJVCKLD-UHFFFAOYSA-N 445.543 2.260 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1711338248 AQKKLSJMMAWTCG-GOSISDBHSA-N 434.504 2.103 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CCCS(C)(=O)=O 1712006447 DRAZQXOLDVPDJP-UHFFFAOYSA-N 447.561 2.430 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1c(C)nc2ccccc21 1712565723 GTFUOFGOHVTIFT-SJLPKXTDSA-N 439.520 2.089 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1 1722332283 HRPRFSWWGYPXEI-PMACEKPBSA-N 443.573 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC 1722395008 MSGQGNAIVICVTR-UHFFFAOYSA-N 428.562 2.046 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722409156 HDEXEMWWHFBXII-HXUWFJFHSA-N 438.576 2.356 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCCO2)CC1 1722433693 BSOKJPNQWTVCHN-IBGZPJMESA-N 444.967 2.334 30 10 IEEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C)C1CC1 1722650476 BXFGHOPUECQXKB-LJQANCHMSA-N 447.561 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(C)C)CC1 1722693150 FEXVFQLIGSRVIH-UHFFFAOYSA-N 442.564 2.231 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722740417 VAAFVMOGEFNGPB-IAGOWNOFSA-N 443.573 2.500 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@@]1(O)CCN(C)C1 1729043858 SOJRTXUCKDGJEP-XUZZJYLKSA-N 438.576 2.212 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1730788511 IEPWXPWUTKHEHH-UHFFFAOYSA-N 440.939 2.135 30 10 IEEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1730880008 DBYDKGVDBVWCAD-WIYYLYMNSA-N 433.553 2.124 30 10 IEEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)o1 1731184237 FPXCVOCTZXTNFF-CQSZACIVSA-N 428.250 2.277 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740588378 RJEUUOVWXYBXML-UHFFFAOYSA-N 433.560 2.221 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740617801 XPUFCXQTBGSJBG-HXUWFJFHSA-N 443.573 2.246 30 10 IEEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCN(C)C1 1740618354 CLXRVDANIZGLIN-JOCHJYFZSA-N 431.968 2.388 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnccc1OC 1740681767 VDWKJTVQJAQWLA-UHFFFAOYSA-N 435.484 2.254 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCC)CC1 1740757387 VTBBZUBINLVNCS-NQIIRXRSSA-N 442.564 2.086 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccn(C)n1 1740929730 FSTHDWJHXCMUOA-UHFFFAOYSA-N 440.577 2.393 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740952279 YQJCDYHRKOGDRT-JKSUJKDBSA-N 445.495 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740954538 OGSDZPKLXKYDKB-IBGZPJMESA-N 436.560 2.356 30 10 IEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC=C(C)CC2)CC1 1741065490 AKCHYJCQKJCFCD-UHFFFAOYSA-N 449.559 2.049 30 10 IEEE CC(C)(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1741170521 KOXYOGYCONHWJX-FQEVSTJZSA-N 447.543 2.437 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1747442283 AHTHJTKIHSWSBX-LJQANCHMSA-N 446.577 2.007 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1748747199 DFRVTSFMSPLVEU-SJORKVTESA-N 430.553 2.478 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@@H](C)N2CCCCC2)CC1 1749015713 KJEYLZALQMZMHH-LJQANCHMSA-N 426.609 2.461 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749022749 LXYDDRJWCYZFLE-MSOLQXFVSA-N 438.594 2.143 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1749141947 NMNNINRCLGITPV-NRFANRHFSA-N 440.592 2.434 30 10 IEEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749184223 OKRQBJMAFHLWPC-UHFFFAOYSA-N 444.967 2.155 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1749536634 SJCZSNYLABAWKR-HXUWFJFHSA-N 438.576 2.427 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1749572699 AMKCNFTWJBGYRF-UHFFFAOYSA-N 430.516 2.461 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749655681 OYMXVGNPXCXPOA-VFNWGFHPSA-N 431.924 2.285 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760146055 AKVVVYUCNAJEQV-AWEZNQCLSA-N 440.367 2.083 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1760183895 DLMIKFZAOJAFGV-SPEDKVCISA-N 443.573 2.315 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCOC[C@H]1OC 1760214657 XCGDZNVHZBREDX-PGRDOPGGSA-N 438.528 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1760258686 BDAJCSGQMIYLSC-JTSKRJEESA-N 429.952 2.098 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760284292 KJJPOXGGHVQSDV-MSOLQXFVSA-N 441.557 2.179 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1760423553 DFCPMBWGXUCNFH-GOSISDBHSA-N 427.505 2.371 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1760515227 SIYJWXINWSDXBA-MRXNPFEDSA-N 426.521 2.022 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1761362532 CVODQRKUDRMKCB-SJORKVTESA-N 441.561 2.359 30 10 IEEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H](C(F)(F)F)O1 1763044821 WJIXKEKMIQVUBX-DOMZBBRYSA-N 438.410 2.183 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1768659253 BDRPQZZHDDLZQK-LJQANCHMSA-N 436.541 2.326 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC[C@H]2OC)cc1 1768732934 AKDXPZAKKIIWPS-PERKRYKHSA-N 445.495 2.359 30 10 IEEE COc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1768747449 XRQRUFBQRGQSBR-DLBZAZTESA-N 447.561 2.254 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1769548366 HZEIMDTZSGQOML-OXJNMPFZSA-N 437.447 2.063 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2c[nH]nc2C)cc1OC 1770086060 BCEGQFCDQDUPHG-GOSISDBHSA-N 437.504 2.355 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1770126209 FUIBEEBFAIOILO-HXUWFJFHSA-N 448.483 2.483 30 10 IEEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(CCC)no2)cn1)[C@H]1CCN(C)C1=O 1850379612 MCLAZBGDJSSERF-KRWDZBQOSA-N 435.488 2.129 30 10 IEEE Cc1ccc(-n2ncc(C#N)c2NC(=O)[C@H](N2CCS(=O)(=O)CC2)C(C)(C)C)cc1 1851771293 BWLJHNFKFDHVPR-SFHVURJKSA-N 429.546 2.136 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(CCOCc3ccc(C#N)cc3F)CC2)cc1 1852039067 IKZJNCGARJYJKD-UHFFFAOYSA-N 433.505 2.229 30 10 IEEE CS(=O)(=O)C1CCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CC1 1852149164 OGOKLTUCOJCNEP-UHFFFAOYSA-N 426.420 2.412 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cc(-n3cccn3)ccn2)cc1 1853328181 VREQDYLHKCDCHI-NRFANRHFSA-N 433.468 2.076 30 10 IEEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)C[C@H]1CCCCO1 1853386192 JSSKJJLSLJUIPJ-LJQANCHMSA-N 431.500 2.444 30 10 IEEE CCOc1ccc2nc(N3CCN([C@H]4CCCN(C(=O)CC#N)C4=O)CC3)sc2c1 1853958105 TXOIPDCIJVIRLD-KRWDZBQOSA-N 427.530 2.248 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccnc(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854525235 FKUWTBVGIIZNIJ-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccc2)CC1 1858111040 DCDUUFQFZRRKGP-SFHVURJKSA-N 426.542 2.280 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)cc2)cc1F 1862639375 WZRABBKGABVDTA-LJQANCHMSA-N 428.416 2.254 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)c1 1862748903 LTXQGXGKHBGDGW-LJQANCHMSA-N 439.424 2.318 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862758126 XCOCJVJAFAOKCT-SFHVURJKSA-N 439.424 2.433 30 10 IEEE CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931904 LQWLPJCJEDMILU-LJQANCHMSA-N 429.542 2.268 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCOC(C)C 1870584240 UPKGLNLEQFGXOS-UHFFFAOYSA-N 447.576 2.075 30 10 IEEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC)c(OC)c1 1872597622 XSXHVRWATSLTBU-IBGZPJMESA-N 443.525 2.377 30 10 IEEE C=CCn1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c(N3CC(O)C3)ncnc21 1873656055 KPQBACDNFDSCAG-UHFFFAOYSA-N 439.472 2.076 30 10 IEEE CN(CC#CCNC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)Cc1ccccc1 1889422272 QRHQMVRNXYJADC-LJQANCHMSA-N 436.581 2.411 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Nc3cccc(OC)c3OC)CC2)CC1 1890409561 MJPIYDBITMUFAD-UHFFFAOYSA-N 444.576 2.358 30 10 IEEE CN(C)CCN(CC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2010405435 IDXUOMRHLXXKQP-UHFFFAOYSA-N 425.379 2.336 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2045133341 QSXPEECJHLSXTA-UHFFFAOYSA-N 432.370 2.494 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1 2080358555 OMZOJSAQNPOYTG-DZACXABVSA-N 448.487 2.367 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666733 AQCCZNDSESZAEY-CVEARBPZSA-N 447.341 2.201 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2244370097 COHOURLPEDFACZ-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)ccc2Cl)OC1(C)C 2247900147 UHYVHCVAPOVSPN-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 2248472045 APJWTVZTWBRIHX-SFHVURJKSA-N 430.501 2.423 30 10 IEEE CC1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255532777 OZSVRIICUSNFHQ-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255809130 SOGWGLWQIHEADG-UHFFFAOYSA-N 433.314 2.005 30 10 IEEE C[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256614916 QGOGSDNRMYRUTD-PBHICJAKSA-N 434.342 2.049 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2267142768 YTRBAAMAAHTRPY-GJZGRUSLSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)cn1 2267143269 GBCPYKQRWFRZTJ-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267510520 MEXDSQXLVZZNIP-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267520725 MGJLDHYOAIGHNX-CABCVRRESA-N 448.373 2.155 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)C1 2267522869 ZEPCLJAEFDPDIJ-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267880405 SUDNMEVPRBNLGL-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE C[C@H](NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268652360 GMBHPCWTLJHRBI-DAYGRLMNSA-N 448.369 2.437 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(=O)O)cc1 2331273519 IVUCGOHDEXHXAF-UHFFFAOYSA-N 446.514 2.235 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1cc(Br)ccc1C#N 2335436627 ZRXAHGIBDFGPBW-CYBMUJFWSA-N 446.323 2.197 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337196773 OWTOPLYFUTXEQB-IEBWSBKVSA-N 438.381 2.217 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2337198161 GFIPWYMNODNFFX-CABCVRRESA-N 448.373 2.285 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337201957 BSVGPZFSHJSZLT-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 15545016 WXFZNCKVRUGMPB-JOCHJYFZSA-N 438.553 2.058 30 10 IEEE N#C[C@@H](CCn1cnc(I)c1I)NC1CC1 304428138 QJTSTXPKJPKETI-MRVPVSSYSA-N 442.042 2.127 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)O[C@H](C)[C@H]3C)nnc12 438406388 ZDUUTEJDVSDNER-RRFJBIMHSA-N 427.530 2.347 30 10 IEEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 438759935 VTXKCYSFJLBVCW-UHFFFAOYSA-N 426.454 2.272 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](CO)Cc3cc(F)c(F)c(F)c3)cc2C1=O 444438759 IKMNIZSLXVFVIN-ZDUSSCGKSA-N 432.398 2.467 30 10 IEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 460931201 BEXUZGYDDOQHTO-UHFFFAOYSA-N 435.532 2.217 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461285961 VASLRFIIYHXFDO-JLCFBVMHSA-N 435.488 2.214 30 10 IEEE C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1cnn(-c2ncccc2C#N)c1 461286575 YCKABQCWKGNHMB-HSZRJFAPSA-N 441.451 2.076 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cn1 462094925 WNLPXTOTVHXSJO-UHFFFAOYSA-N 431.500 2.417 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489008670 BENZSSIDJWDFLL-OAHLLOKOSA-N 436.559 2.332 30 10 IEEE COc1ccnc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)n1 497995106 WELHSCZOMPCQHB-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 503420132 RGTUWXQPROBLAI-RBZFPXEDSA-N 435.502 2.018 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)nn2)cc1 504443252 PYKZKTHDTZXPJO-OAQYLSRUSA-N 445.483 2.142 30 10 IEEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 507480236 RHWJRELPBHTMIC-CABCVRRESA-N 436.559 2.136 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 508486239 BIPAHAGHESIBGD-PXNSSMCTSA-N 445.589 2.082 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCCC[C@H]2C)CC1 522307089 GNVODRXMCZRTGF-HXUWFJFHSA-N 427.593 2.190 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)cc1C#N 539720876 HDZPLYUAJQCQRE-UHFFFAOYSA-N 425.514 2.297 30 10 IEEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 541667555 BDQYKQFJBQRXFB-AWEZNQCLSA-N 442.463 2.193 30 10 IEEE C=CCOc1cc(N[C@@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)ccc1-n1cnnn1 586268808 IZDMXUWFAUEZEQ-AWEZNQCLSA-N 434.456 2.266 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccc(F)cc3)cc21 586311892 BJUNXFVYIYNOEV-SSEXGKCCSA-N 430.457 2.307 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc4c(cc3Cl)OCO4)N2N1 588225520 RVDQRRZEBHKUAH-GOSISDBHSA-N 426.885 2.131 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccc(F)cc1 590972686 DPUXVXNRHAFTDT-UHFFFAOYSA-N 427.526 2.437 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@H]1CCCO1 607141225 FSQQNFPIDKZKLV-QGZVFWFLSA-N 433.533 2.365 30 10 IEEE N#Cc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1Cl 619827952 HAZMYZJFCWEECV-UHFFFAOYSA-N 430.917 2.498 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669805097 CKOLPLUSFGAVMD-DENIHFKCSA-N 438.576 2.340 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccoc3)c2=O)cc1 727416005 CFWKLQISZYAOAZ-UHFFFAOYSA-N 435.505 2.016 30 10 IEEE N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCN1C1CC1 732696900 RUMLASZIVUZAEI-IBGZPJMESA-N 431.562 2.455 30 10 IEEE Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 732696910 SARRJDDHFDAMBH-IBGZPJMESA-N 431.562 2.374 30 10 IEEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1C#N 747051848 BKZYTABUTCPCBA-UHFFFAOYSA-N 445.316 2.413 30 10 IEEE COc1cc(C#N)cc(OS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)c1 752837446 SNBMCFCZMUCQDE-UHFFFAOYSA-N 448.425 2.307 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(I)c2O)CC1 754916887 FJMDQZFTNXZRBB-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCc3ccnc(O)c3C2)cc1 755224965 RSNWSNMEZTTXGX-NKFKGCMQSA-N 429.502 2.190 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 757305495 PUQLDHZDKVZAJP-MFKMUULPSA-N 449.476 2.330 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)CC2)n1 760552216 PARBYFDTBPHBAR-DEOSSOPVSA-N 430.512 2.206 30 10 IEEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774261784 QLDJADBHXHLCCL-GOSISDBHSA-N 434.606 2.464 30 10 IEEE CCN1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1cc(F)c(F)c(F)c1 782847089 OSSQOMYDZYFIKY-HSVPNLAOSA-N 436.434 2.272 30 10 IEEE CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784971436 CEIAZBAMKHUAPD-LTUQMTLXSA-N 432.546 2.253 30 10 IEEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1OC 787553447 PEOLOGWVTAMSCV-MGPQQGTHSA-N 429.473 2.406 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCSC2)C1=O 794440804 KVZPDEQRGUGMDB-FUHWJXTLSA-N 445.614 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812385614 YWLMPHAMWAPCRA-MOPGFXCFSA-N 443.548 2.086 30 10 IEEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 916132333 ZHFLUQKAIBXHDZ-AATRIKPKSA-N 425.875 2.308 30 10 IEEE COc1ccccc1NC(=O)CCSc1nnc(NN=Cc2cccc(O)c2)n1N 1084517828 SZKLBQWIBGNPQE-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)n3)CC2)nc1 1125382636 MHMLXVDRPZVVES-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE COc1ncc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cc1C#N 1134070745 NHMGLBOGARMQOW-UHFFFAOYSA-N 435.893 2.050 30 10 IEEE COc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)cc1OC 1134276225 UQONKDDULICHGR-XOBRGWDASA-N 447.538 2.146 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 1136364595 PBEFLYVTPMIRTA-FQEVSTJZSA-N 442.560 2.248 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CN(c4ccc(F)cc4)C3=O)C2)C1 1138154266 HULFUAYBDLCABV-MPWCYPSHSA-N 442.491 2.444 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)C2=O)cc1 1138181481 VDEZDTWZDYXOPB-BBWFWOEESA-N 425.407 2.154 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1)C(=O)OC 1141994869 BRAWGHGVGKWKCP-GOSISDBHSA-N 444.509 2.353 30 10 IEEE C[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1151825834 OHHRPKPFQXNIAH-KBXCAEBGSA-N 433.530 2.038 30 10 IEEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H](O)C(F)(F)C(F)(F)F 1153276776 NWENCGORVFULTO-VIFPVBQESA-N 449.302 2.367 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cnc(I)c(O)c3)C2)nc1 1156246969 DUTORNOWTUCPKT-CYBMUJFWSA-N 449.252 2.375 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc3ccccc3nc2Cl)c1=O 1189868802 CNALXGJJJNWFBZ-UHFFFAOYSA-N 426.860 2.473 30 10 IEEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 1190993792 CTSGZUCJDYQQGJ-TZIWHRDSSA-N 429.561 2.232 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C2 1216704769 FPRVHSGUHRNASJ-UONOGXRCSA-N 445.501 2.182 30 10 IEEE C=CCc1cc(CNC(=O)N(C)Cc2ccccc2S(N)(=O)=O)cc(OC)c1OC 1221553403 FXFAFQMNWXCYKG-UHFFFAOYSA-N 433.530 2.421 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286362502 CGMUVCRLNRTTTB-JOCHJYFZSA-N 428.489 2.196 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OC 1286420308 CGYRNTLXGQCRBL-UHFFFAOYSA-N 449.536 2.263 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1286509821 DBDLKZJGSMHQGZ-UHFFFAOYSA-N 449.527 2.422 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286532896 OGDCYVNRUSLPJY-UHFFFAOYSA-N 445.321 2.374 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286627485 GMNBNMQZRRXNSQ-CQSZACIVSA-N 434.928 2.499 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1286628455 AXVMTEBTRWIOLW-KRWDZBQOSA-N 446.964 2.131 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286708684 GRUDYQSVEPWNSF-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1286776608 MFPJLVJAOOHDJY-IRXDYDNUSA-N 430.553 2.422 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286833160 WHRJOZQMVSGWNJ-MSOLQXFVSA-N 440.635 2.495 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS2)CCO1 1286940753 DEHSAAWCBKDWDS-RBUKOAKNSA-N 426.546 2.054 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1300353385 JMROXCRFFIHNLX-RBUKOAKNSA-N 426.565 2.455 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1300487413 JDNOREWWZRDJBK-IBGZPJMESA-N 443.573 2.174 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CC1 1300700583 SNEMUSQIYSOAOF-GOSISDBHSA-N 446.502 2.015 30 10 IEEE C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)[C@H](C)COC 1300717602 GMXWQZDIFXOQKL-ZBFHGGJFSA-N 430.954 2.460 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301188142 GMAYKVMODVURFZ-HKUYNNGSSA-N 432.594 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1301552278 XTRWXIZEHXLSEG-VXKWHMMOSA-N 426.561 2.050 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(Cl)c1 1302095087 CIZUCINSWUMZMT-CRAIPNDOSA-N 435.912 2.463 30 10 IEEE Cc1nnc(N(C)Cc2ccc(Br)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1304793499 ZVQRPHJSAWEFPY-NXVVXOECSA-N 435.282 2.105 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1305712491 GWSZOHXBSNVKEU-IPJJNNNSSA-N 434.560 2.361 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306293768 PUBCAAQPCYEWIN-CJMKZDRPSA-N 428.537 2.323 30 10 IEEE CN(C)CCN1CCC(Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1314669410 FKZPRRXGUZBQFR-QFIPXVFZSA-N 426.544 2.056 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C(=O)Nc3cn[nH]c3)c3ccccc3)CC2=O)cc1 1319645771 LJKSDNQCCVYXOK-LAUBAEHRSA-N 428.452 2.130 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccc(F)cc3)CC2)c1C#N 1320985202 ZFGOTOIDDHXEEC-UXHICEINSA-N 425.512 2.016 30 10 IEEE CCc1noc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)n1 1355959774 LDVWCFXSQWGJEP-MOHJPFBDSA-N 449.533 2.380 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1358873518 KJQBRPZHTGABAO-QMHKHESXSA-N 444.532 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1358876211 FAFHJKIDPDWEOS-XOBRGWDASA-N 448.365 2.241 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1358967397 JQTMIVVHTCZZPC-HPFMTEOYSA-N 444.557 2.459 30 10 IEEE C#CCN(CCOC)c1nnc(COCC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1359026928 OWYXPCKMAXGSRQ-UHFFFAOYSA-N 433.553 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)CC)CC1 1359047965 ZWMKHWQXGPNYFX-DEOSSOPVSA-N 439.560 2.292 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCCN(C)C)c1 1359063307 OEXRYTDGBRZHCY-XMMPIXPASA-N 438.576 2.397 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1359126741 XUEXOGWGAOARJU-UHFFFAOYSA-N 444.502 2.181 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCSC1 1359282150 RSGWIZZTRKQLLQ-RXVVDRJESA-N 432.546 2.297 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1359298284 UJNOUNRVCFAMOR-GOSISDBHSA-N 441.923 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1359330933 HHOWEDQXZRUEDH-HUUCEWRRSA-N 442.545 2.287 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1359345346 CULHBOBONIHCRU-LJQANCHMSA-N 440.573 2.169 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1359455096 FZPIEKMKXCFQQS-OAQYLSRUSA-N 444.561 2.005 30 10 IEEE CC(C)N(Cc1ccco1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1360665225 APFQHDJDMLDFIQ-AWEZNQCLSA-N 432.506 2.409 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)c1cccs1 1360680486 CNJZTDPZCRVEQP-ACJLOTCBSA-N 440.570 2.370 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 1450274595 WTQFMDIJHUVNFX-GFCCVEGCSA-N 429.907 2.312 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1461443786 KLBLACPKUMLHIO-UHFFFAOYSA-N 435.488 2.027 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc(C#N)cc1 1470074517 FZCIYJGKVOYFOI-LJQANCHMSA-N 447.944 2.104 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCC3CCC(S(C)(=O)=O)CC3)ccc2c1=O 1471897994 WXCWBKCZUMJZMN-UHFFFAOYSA-N 435.571 2.204 30 10 IEEE CCc1nc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1498399563 WKZAIMWGMSLCMX-HTXNQAPBSA-N 427.534 2.337 30 10 IEEE CCNC(=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCC1 1502402779 SDAWSSOVWCFHCD-HNNXBMFYSA-N 444.486 2.182 30 10 IEEE CCNC(=O)C1(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCC1 1502402983 YWLZKZNGGBXHFG-UHFFFAOYSA-N 437.548 2.318 30 10 IEEE CN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1503433014 RTOYDCTVFAHLNP-QBNCKDSPSA-N 430.578 2.479 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1504753098 DGIMTEFZOCREOU-LEWJYISDSA-N 433.484 2.192 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507563449 VYEJFITUHBZQHR-GOSISDBHSA-N 440.525 2.104 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507592979 HKHFQKVBAOCZBU-UHFFFAOYSA-N 449.607 2.350 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1507628122 GJEOUZGXBICFGG-INIZCTEOSA-N 448.570 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cc(C)no1 1507653527 RBQPRXGJEOJHLS-UHFFFAOYSA-N 441.495 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccsc2)CC1 1507733586 DVBLGYLYAXBHNQ-UHFFFAOYSA-N 442.589 2.272 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507846317 IBRIDVZDIFCAKW-IBGZPJMESA-N 440.548 2.026 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507865132 LFGUKLDKXCIBFU-JKSUJKDBSA-N 432.974 2.302 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1507896146 HNFRPMYJYWLVPC-PKOBYXMFSA-N 438.642 2.411 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)OC)CC1 1507964512 AZVDOMNKUKJYAG-UHFFFAOYSA-N 438.532 2.499 30 10 IEEE CC(C)(C)C1=CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508477601 PRXCYHCWMHCBEV-XOMICKMZSA-N 440.548 2.491 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1509947537 WENYHWCIXQGBMY-SOLBZPMBSA-N 431.566 2.216 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)C1 1510290842 UXFOPCWZCQVPIU-HXUWFJFHSA-N 425.472 2.203 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cs1 1511529637 LGDMPIYDOSSGHB-GOSISDBHSA-N 440.570 2.289 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1517865699 MFGFLOWYYIBLEM-UHOSZYNNSA-N 440.552 2.177 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(F)cc(C#N)c1 1531984360 CVWWWYNLIYGIQJ-UHFFFAOYSA-N 446.504 2.284 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nncn3CC2)c1 1534269163 XNJVMVIWFYQKNH-ZCMXAENPSA-N 444.561 2.462 30 10 IEEE CC[C@@H](Cc1ccccc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538308411 DTSUMWLKNFBPLJ-YEWWUXTCSA-N 425.348 2.415 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CC 1539179234 NYSOJDSIBIIQOM-MSOLQXFVSA-N 432.569 2.140 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1539206657 UEYNHGSCQLUFQV-VQTJNVASSA-N 430.574 2.483 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1539238540 ZMWRMCRYQWPDBC-DEOSSOPVSA-N 436.512 2.017 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCCC1 1539257051 DPCZISNKVPGXCO-UHFFFAOYSA-N 427.512 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCn2nc(C)nc2C1 1539617426 WIRBZKJBEGFYRE-LPHOPBHVSA-N 442.568 2.098 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539621596 RQMGEGMXDPUDPG-XMSQKQJNSA-N 442.539 2.468 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1540007454 OOLQURPTEANIBI-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1540602119 CWWSTUDNNXYXTC-LJQANCHMSA-N 428.510 2.261 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1540873401 WTAZLJBKKZHQCH-NRFANRHFSA-N 448.527 2.153 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(NC(C)=O)nc2)C1 1540893611 HDDKKPGCLPJPPH-HXUWFJFHSA-N 433.516 2.447 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1541184778 JNHYNAYQCXXVQZ-QUCCMNQESA-N 430.597 2.486 30 10 IEEE C#CCN(CC(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)C(=O)OC(C)(C)C 1543754418 PWLUQNXAAXOQKP-HNNXBMFYSA-N 426.477 2.287 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cc1OC 1554849734 HMQVCERWVJWSEG-LEWJYISDSA-N 431.468 2.210 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2n[nH]cc2C#N)ccc1Br 1557134133 GYSNGLPVYKUJSC-UHFFFAOYSA-N 426.296 2.373 30 10 IEEE N#Cc1c(F)cccc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1557850560 FZHDAZNNMYSBGB-UHFFFAOYSA-N 437.216 2.054 30 10 IEEE N#Cc1cnn2c(O)cc(CN[C@]3(CO)CCc4cc(Br)ccc4C3)nc12 1559998111 RFGICGTYQGWNAJ-LJQANCHMSA-N 428.290 2.079 30 10 IEEE C#C[C@@H](NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)c1ccc(Br)cc1 1561601324 KVUYWGJFTWLROW-GOEBONIOSA-N 429.336 2.233 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H](CCC)C(=O)OCC 1561922038 AGUSIONTZDXYOW-QGZVFWFLSA-N 430.567 2.383 30 10 IEEE CN1CCC(N2CC[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)CC1 1565684666 YZHDUAMWLSQEGP-PYQXHLOTSA-N 445.608 2.058 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1586957012 GYSDIXKOURNFGC-KRWDZBQOSA-N 425.551 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC1CCOCC1 1587581226 YGVWQTZHWBPWRG-KRWDZBQOSA-N 446.573 2.392 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588030663 ZICQITWJRRACOD-BHIYHBOVSA-N 441.557 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cnc2ccccc21 1588078836 NSJOANLDGPRAHD-UHFFFAOYSA-N 438.495 2.438 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCc2ccccc2C1 1588088944 CTJSVRDXOOQHHR-LVXARBLLSA-N 447.583 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccccn2)CC1 1588923533 CNGIJZMIRORBQL-UHFFFAOYSA-N 444.543 2.074 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1593747311 UHTPKIDCCJXWKR-XMSQKQJNSA-N 427.505 2.085 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCC(OC)CC2)CC1 1594122588 SVMHDQGURMUCNF-UHFFFAOYSA-N 430.597 2.446 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1595496768 GQTAGCYPAILUHA-HOTGVXAUSA-N 432.322 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(c2nc(C)ns2)CC1 1595501555 XRYFPNSGLCXKRH-UHFFFAOYSA-N 442.549 2.025 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1603038890 KIESFPBJTQGEAX-XUSGNXJCSA-N 429.546 2.223 30 10 IEEE COCCNC(=O)Cn1cc(/C=N/Nc2ncc(F)c(N3CCCC3)n2)c2ccccc21 1614536053 XOGKZINXPPLKOW-RPPGKUMJSA-N 439.495 2.379 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1616014413 BBTUMGKWGKLURB-GOSISDBHSA-N 439.520 2.010 30 10 IEEE CCOCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1617077274 XOYXNCKJZLFSCZ-FQEVSTJZSA-N 425.472 2.179 30 10 IEEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@H]1CCC[C@H]1C#N 1620487732 CMRSRGSGIKMZAN-ICSRJNTNSA-N 430.574 2.374 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)ccc1O 1627169186 VMYSEJIQFUYJNJ-UHFFFAOYSA-N 446.334 2.160 30 10 IEEE Cn1cc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C2(CO)CCC2)cn1 1628292413 KZQCLOOSADCUKI-YWZLYKJASA-N 441.919 2.318 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 1630132633 IYVRRPZXZNRBJV-LJQANCHMSA-N 429.565 2.146 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1643065413 CECUZFDLRCRSDZ-GOSISDBHSA-N 440.569 2.411 30 10 IEEE CCC(=O)c1cccc(C#N)c1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 1644154181 FYSZQPZMQXVLBJ-UHFFFAOYSA-N 445.497 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN(c4ccc(C#N)cc4)CC3)OC2=O)C1 1648064602 UJZSUTUMNLBQPV-LJQANCHMSA-N 426.517 2.233 30 10 IEEE C#CCC1(O)CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 1650951503 GQSXBGWSVZDSCH-UHFFFAOYSA-N 448.566 2.329 30 10 IEEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1653545176 XGIPUUHQYCKWBK-FFOBHKBUSA-N 436.599 2.387 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)N(CCO)C[C@H]2C)n(-c2ccc(F)cc2)c1C 1653938467 OZGLAXXJTRPVGE-JKSUJKDBSA-N 427.524 2.430 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)ccc1C 1660399187 PJIHOKVGIZJCOL-UHFFFAOYSA-N 449.573 2.302 30 10 IEEE COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1F 1661362068 HELRRCUOKHRXRK-INIZCTEOSA-N 449.435 2.097 30 10 IEEE COC(=O)c1nc(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1Cl 1683734107 DVBZDMFFBAZXJP-UHFFFAOYSA-N 444.879 2.290 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CCCCC1 1684076323 SCVOEJAKNXROBR-UHFFFAOYSA-N 448.574 2.181 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1689888916 UQSQWBMCSLKOGW-PMACEKPBSA-N 430.597 2.360 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccccc1F 1689968678 BYRMLNJVBGQEMJ-UHFFFAOYSA-N 431.475 2.155 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690060598 BXSWGSCKUHJDNO-ZRCGQRJVSA-N 433.597 2.278 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)CC1 1690135065 PCSPPJUGPQAYMH-XRXFAXGQSA-N 445.608 2.003 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1690170530 MEPDFNMTZPVKQN-GCJKJVERSA-N 425.558 2.002 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1690206410 QLWAMJIFWYDIAE-FDDCHVKYSA-N 425.508 2.272 30 10 IEEE C=C(Br)Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OCC)CCOC1 1690233550 KGGNMLPAGILYHE-SFHVURJKSA-N 444.374 2.190 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C3CC3)CC2)CC1 1690397184 XNKJPZLNDMSAKY-MRXNPFEDSA-N 436.626 2.165 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690497261 LJFXIUWYGXADIZ-ROUUACIJSA-N 426.521 2.381 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1)C1CC1 1690540032 WSTBNSMMFURCPN-UHFFFAOYSA-N 441.561 2.132 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC(C)(C)C(=O)NC 1690579754 RWIWTIJUAIGSSQ-UHFFFAOYSA-N 430.578 2.427 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690669844 QHWMZRBMMPBZJL-UHFFFAOYSA-N 429.594 2.325 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1 1690672151 JWXDSDFZZCAYLU-KRWDZBQOSA-N 448.568 2.269 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](COC)C1 1690674154 QRVTUAYZMJZPQR-SFHVURJKSA-N 437.548 2.072 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690675167 QTXFPRCTRWHSTN-IBGZPJMESA-N 440.548 2.080 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2C1 1690675334 XJFPVWFUWBVMDD-UHFFFAOYSA-N 436.541 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1C(C)(C)C 1690731207 CNVLSYHEGPXUFS-INIZCTEOSA-N 439.626 2.308 30 10 IEEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1693182449 JIEXCZLDYZEVPX-XDOYNYLZSA-N 446.515 2.305 30 10 IEEE CCCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1695271409 QPVNQEHHASWHDZ-FQEVSTJZSA-N 449.556 2.497 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1695535020 JVDAUUWRMFBDDV-LJQANCHMSA-N 427.530 2.177 30 10 IEEE CO[C@H](CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1697135424 JAQLBCCFFOKHNI-DYVFJYSZSA-N 444.389 2.415 30 10 IEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)cn1 1697445345 BSYZLRCOEWYPKM-HXUWFJFHSA-N 431.500 2.374 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOc1ccccc1 1698256212 ZZTRPDKKTQUTSU-IHPCNDPISA-N 427.505 2.200 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOc1ccccc1 1698256219 ZZTRPDKKTQUTSU-SXLOBPIMSA-N 427.505 2.200 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCN(C)C1 1705573599 KBJCUJDLSODWPE-JTSKRJEESA-N 427.936 2.211 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCN1CCOCC1 1705578985 CNVZLJPYWQQNSW-UHFFFAOYSA-N 443.555 2.316 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN(CC)C2CC2)CC1 1705631849 BLSQZBRGMHSJDU-UHFFFAOYSA-N 449.603 2.387 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](OCC)C2CCCC2)CC1 1705637966 SQWBQQZDRGJSQZ-NRFANRHFSA-N 425.581 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccnc2OCCC)CC1 1705650710 WVSWALINMIBAKW-UHFFFAOYSA-N 436.560 2.429 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C 1705668759 SRYSDIBWUWVJRT-QMTMVMCOSA-N 425.624 2.412 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C 1705668762 SRYSDIBWUWVJRT-ZRGWGRIASA-N 425.624 2.412 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705726643 XELJQGFGTNYYKE-SIKLNZKXSA-N 437.592 2.219 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1705855971 AZWMZDHMULAACY-HXOBKFHXSA-N 443.548 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705936281 NJKFXTIXJUPYIV-ZCNNSNEGSA-N 441.557 2.126 30 10 IEEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1706948169 CTIFPHBYDRHKSD-UHFFFAOYSA-N 432.550 2.047 30 10 IEEE CCN1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710300176 RJPUWHSYURGOAZ-HSZRJFAPSA-N 440.571 2.124 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2ccco2)CCOC1 1710453604 FDHFFJPZDHXNIM-JOCHJYFZSA-N 442.520 2.083 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722286416 HTBNBAGUYCIPQM-FUHWJXTLSA-N 438.557 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1722296582 RZIWJOOLLPNNOL-UONOGXRCSA-N 431.543 2.403 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722365047 BTMBOMDOCGVSII-GOSISDBHSA-N 446.573 2.169 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722367580 WOBIRMIVJUFVPI-WMZOPIPTSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCC[C@H]1C 1722401327 TWWVDAAUXDECSJ-VGOFRKELSA-N 425.558 2.284 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCC1 1722466272 NYEVFKJPCIJYLT-HXUWFJFHSA-N 435.594 2.156 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722618692 UOXFMZLZTGKAEN-SJORKVTESA-N 434.566 2.297 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 1722713609 IFQXZXFITTVSLG-ZACQAIPSSA-N 448.568 2.314 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCOC[C@H]2C)cs1 1725317881 LCMJTLDITJGDGF-MRXNPFEDSA-N 429.594 2.485 30 10 IEEE Cc1nnc(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1726320022 RKMPRYVETQYPQP-RBUKOAKNSA-N 435.529 2.163 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C#N)CC1 1728635051 YQXTUULIWGIOSU-GOSISDBHSA-N 440.552 2.477 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1729453901 WPYOUERPOAHUTJ-UHFFFAOYSA-N 430.459 2.157 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC(C)CC1 1730324808 CGJNGMQIWWFTNW-IBGZPJMESA-N 440.548 2.326 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCCOCC(F)F)cc1 1731184398 MFTBQCMPEZFSAI-SJORKVTESA-N 446.458 2.423 30 10 IEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCOCC2)CC1 1731184856 KEFYXTJYTXZUSL-UHFFFAOYSA-N 439.520 2.251 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1740563507 SXTXQXSKZPSCSZ-LRCIQHSVSA-N 435.594 2.418 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740595474 FHZMWOXZFDDTTF-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1740630046 DTTLYKDZNOLKGY-SFHVURJKSA-N 438.557 2.006 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1740661890 LUXPASRDWNCGSX-GOSISDBHSA-N 445.589 2.096 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)c(OC)c2)CC1 1740695628 ZCVUHNXMVKBGON-UHFFFAOYSA-N 425.924 2.144 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1740713437 LKUPKBOPNNEWLC-UHFFFAOYSA-N 433.545 2.417 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740753838 ACMHINOXNAFTFU-RBBKRZOGSA-N 438.576 2.137 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](C)O)cc2)C1 1740983934 SUPVBDICABLMLE-FXAWDEMLSA-N 425.533 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](COC)C1 1740990778 ZKEYFSWSJIBNNN-MRXNPFEDSA-N 429.546 2.500 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1748291770 AHXDIUHWGQSNEC-CQSZACIVSA-N 448.618 2.421 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748642166 MURRTAPAAUYUST-UQBPGWFLSA-N 437.588 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748643554 WXGYDIHFACDMSX-GJPOJAMWSA-N 433.597 2.276 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nccs1 1748794579 BQDSWXJUDJPCRJ-UHFFFAOYSA-N 435.601 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCc2ccccc2C1 1748875242 OQRZWIHAXVXAQY-NRFANRHFSA-N 444.583 2.424 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)CC1 1748991391 VTDDCZBSUCQITC-RTBURBONSA-N 446.596 2.183 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(=O)NCC)CC1 1748994794 ROSCUTLCMVCDDQ-UHFFFAOYSA-N 436.604 2.371 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1749064607 CZFORWDRKXZMHG-JOCHJYFZSA-N 426.521 2.303 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749219846 UWRXYJHVCWWRCX-VQIMIIECSA-N 441.532 2.270 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCOCC2)CC1 1749303360 IZSIBSPZRJLMNN-MRXNPFEDSA-N 426.608 2.249 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749450894 WQKLGPJEALVJQO-SFHVURJKSA-N 441.532 2.383 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1749599611 HTYGBYSJYXPOEB-NQIIRXRSSA-N 443.548 2.150 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1749601032 VJAYXJKMVADYCR-UHFFFAOYSA-N 436.553 2.472 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)CCC)CC1 1749664793 ZSLHIUFLOUOTGP-UHFFFAOYSA-N 428.512 2.272 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760141760 HDDKCHRWXAZVPT-KRWDZBQOSA-N 449.552 2.270 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@H]2CC)CC1 1760265111 OCOMFBGVTZXNCF-HKUYNNGSSA-N 428.581 2.208 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@@H]1C 1760355875 ZBAXJTBMMZLVSV-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1760457669 CBLOKBDOIBSSEH-UHFFFAOYSA-N 426.340 2.250 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1760464171 BEKZOJPXNMWICO-WOJBJXKFSA-N 445.589 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nccs2)C1 1760518103 IYBMUZSGASHVAS-AWEZNQCLSA-N 445.936 2.330 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1760695751 MZPXICBOEYADPE-KBPBESRZSA-N 440.620 2.415 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CCn1c(O)nc2ccccc21 1761205490 HZTKMEVZBWRXMZ-UHFFFAOYSA-N 436.520 2.302 30 10 IEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1767290727 FTEUJAQZXYXATM-UHFFFAOYSA-N 444.543 2.460 30 10 IEEE N#Cc1cnc(NC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)c(Br)c1 1853024736 DBSNAHGOEVNQIJ-OAHLLOKOSA-N 431.294 2.332 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)[C@H]1CCCN(CC(F)F)C1 1853215089 WDQXKSNRXMAXNS-ZDUSSCGKSA-N 447.939 2.310 30 10 IEEE Cn1nc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)cc1-c1cccnc1 1853319466 ALJVASRJZTWLKW-NRFANRHFSA-N 447.495 2.290 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3nc(C)sc3c2)C1=O 1853681359 AFQQSKZNQVITBU-MSOLQXFVSA-N 426.542 2.455 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2=O)CC1 1853789453 HYOBSQBXGYNCDC-LPHOPBHVSA-N 428.920 2.446 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(Cl)cc3F)C(=O)O2)CC1 1856597321 NLHXKOFHXXAXOO-OAHLLOKOSA-N 429.857 2.005 30 10 IEEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870347921 ZJBJDOJVUQLQMD-UHFFFAOYSA-N 439.512 2.284 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccn1 1874274433 MNOKWDTWIXBTDI-ZWGXDWAISA-N 443.577 2.288 30 10 IEEE CCOc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 1874279861 GXKFXGQKSSTTDW-OOXYOOLHSA-N 447.561 2.463 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 1875228186 DTCMAAOIWCHTFM-UHFFFAOYSA-N 439.516 2.353 30 10 IEEE C#CCOC1CN(C(=O)[C@@H]2OCC(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)C1 1891707891 YBYGGYOKRVRCLJ-DHIUTWEWSA-N 426.513 2.157 30 10 IEEE O=C(N[C@H](CS)C(=O)O)c1cc(Br)ccc1I 1995691608 PDJPRTPAWMSZMJ-MRVPVSSYSA-N 430.061 2.167 30 10 IEEE CCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 2053511783 IWLPHXNGRGBGJQ-UHFFFAOYSA-N 445.614 2.319 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)C1 2247553578 UDMPKAFQHVZPSO-UHFFFAOYSA-N 434.497 2.075 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247921652 SPYLQQPMDGAPIG-KWCYVHTRSA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254798208 ACQLQLRKMHDRGL-UHFFFAOYSA-N 437.321 2.304 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644429 AHTFSYUWIZBKKZ-CQSZACIVSA-N 434.346 2.151 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2255695572 HGLWMXCZOINYJL-FPTDNZKUSA-N 431.342 2.064 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCN(C)C(=O)OC(C)(C)C)n1 2255830476 HAJLTNFJIVSRQO-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2255872065 RIQFLDRWEKWXSS-OPAMFIHVSA-N 434.342 2.154 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255953052 CFWBTPCHTFIIEO-SHTZXODSSA-N 432.326 2.477 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256615448 UUPMMHJWZXIVRJ-LRDDRELGSA-N 438.305 2.338 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126247 ZOOUENZTNCONKU-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142487 VCRFPTNUWUOLRN-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE Cc1ccc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267231326 AKFUYXHVKQBWIY-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267510568 MSZIRCOVQDZXQV-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCCC34OCCO4)cc2Cl)OC1(C)C 2267706212 SYNHEANORKVICN-LBPRGKRZSA-N 449.787 2.275 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)OC1(C)C 2283063291 VKLARGXKTHVMRK-PMACEKPBSA-N 448.376 2.370 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303167492 PQGXEPFZVKJACC-KBPBESRZSA-N 426.319 2.138 30 10 IEEE NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2F)cc1 2325702616 VXCULCCDKOMWGY-UHFFFAOYSA-N 427.251 2.457 30 10 IEEE Cn1c(NN=Cc2ccc(O)cc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 2328608969 IICZCNYJTOVXNN-UHFFFAOYSA-N 438.875 2.287 30 10 IEEE COc1cc(C=Nn2c(CCc3cccs3)nnc2SCC(N)=O)cc(OC)c1O 2329652946 LTXZJSMCIAPHJO-UHFFFAOYSA-N 447.542 2.307 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CN(C)CCN2Cc2ccccc2)[nH]1 2337025757 MAUCQACSLVWYEM-QFIPXVFZSA-N 436.409 2.339 30 10 IEEE CN1CCCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)S1(=O)=O 2377406728 DGIBNALDZJOXAU-UHFFFAOYSA-N 445.188 2.131 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)c1 109775835 XQLVTERTQHTZFN-UHFFFAOYSA-N 429.480 2.151 30 10 IEEE COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254300717 KUGUJRMVDRFOKL-CRAIPNDOSA-N 440.587 2.389 30 10 IEEE COc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 441273537 DAZILWMGCOMTIR-UHFFFAOYSA-N 436.534 2.168 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C1=O 473794442 CTOSXGYELDOZEQ-ACRUOGEOSA-N 448.523 2.358 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 479036060 RKWRMAGHSZXLHP-FQEVSTJZSA-N 439.466 2.469 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 502658672 NITMIVKUARKHHY-IRXDYDNUSA-N 437.363 2.079 30 10 IEEE Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c1C 507790916 YLARPUGEWGWUON-UHFFFAOYSA-N 442.541 2.304 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nnc4ccccn34)CC2)CC1 540468307 WITNUHDONWZYFU-IBGZPJMESA-N 449.584 2.379 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 540919468 MIJKGWPKCRVRGG-VXKWHMMOSA-N 447.539 2.323 30 10 IEEE C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 541791641 KWMLBAGSIOMHBA-IRXDYDNUSA-N 443.329 2.492 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)sc2c1CCC2 546213785 XCBBDOJVCDBUBP-UHFFFAOYSA-N 439.541 2.441 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 558979621 PTVOZTIRGNDZBL-UHFFFAOYSA-N 442.568 2.288 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccccc2C)nc1C 586348196 JRZCPFDPIOWYIP-GDLZYMKVSA-N 435.527 2.429 30 10 IEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3cccc(C)n3)N2N1 588226735 WCFCCFALMMDKBP-KRWDZBQOSA-N 442.342 2.215 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 603798249 LIPWLDNLYGGXSV-MRXNPFEDSA-N 437.546 2.292 30 10 IEEE CSCC[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 619104058 GHEKRPGHDIHWMC-LJQANCHMSA-N 449.536 2.020 30 10 IEEE Cn1c(SCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnc1-c1cccs1 726859007 VHKGSOJQIRQGEH-UHFFFAOYSA-N 433.540 2.154 30 10 IEEE C#CCN(C(=O)c1ccc(Cl)c(I)c1)[C@H]1CCS(=O)(=O)C1 729333958 DLXCTVPKNUTQLC-NSHDSACASA-N 437.686 2.207 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)cc1 732708964 WXIUKMXFMLWNGY-QFIPXVFZSA-N 443.507 2.469 30 10 IEEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 740237221 NMCBIBALMIIZHH-HNNXBMFYSA-N 428.875 2.009 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)[C@H](C#N)C1 757898814 SGUCTAIDZYFBRN-GFCCVEGCSA-N 425.898 2.121 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758088913 GOXGTAQJBXNURZ-UHFFFAOYSA-N 449.919 2.294 30 10 IEEE Cc1nn(-c2ccccc2)c(COC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c1C#N 764030524 BCIAWYJUECPZNI-UHFFFAOYSA-N 427.486 2.424 30 10 IEEE CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 780826656 CBPZTURJJJEFMQ-LJQANCHMSA-N 427.505 2.362 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)cc1C 782596835 BXIVABWVDXPTNB-UHFFFAOYSA-N 440.326 2.039 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)=NO1 788624316 JQKHZOWDDOIYFM-LJQANCHMSA-N 441.532 2.262 30 10 IEEE C=CC[C@@]1(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CCCN1C(=O)OC(C)(C)C 790671157 GLXLGDQAGYLLCP-AOMKIAJQSA-N 431.537 2.378 30 10 IEEE CCCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H](C)CC(=O)Nc1ccccc1 800706453 DGEIQYQFKIASKN-MODMUFLJSA-N 427.505 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)ccc21 813982437 JNTYZKWMMQFNCA-UHFFFAOYSA-N 428.470 2.370 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccsc2)[C@H]1n1cccn1 814711070 BWZJYOSRBWNNHI-QSJFSLAZSA-N 433.559 2.431 30 10 IEEE COc1cc2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)[nH]c2c(OC)c1OC 916777924 IPWXBBUEQBTASP-UHFFFAOYSA-N 429.454 2.325 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)C(C)C 925932341 JHCOMFBEOLHDIY-MAUKXSAKSA-N 426.473 2.156 30 10 IEEE Nn1c(NN=Cc2ccc(O)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 1084303282 ZLXDZSNVXFRKST-UHFFFAOYSA-N 440.514 2.484 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)o2)cc1 1125135635 IUQKKNSSAJTJRY-BSYVCWPDSA-N 446.529 2.177 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCn1cnc2ccc(Br)cc2c1=O 1130627384 WNEAAYNDLZWRIM-UHFFFAOYSA-N 448.317 2.353 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1135889370 FAVCTHAVHKQBIC-VGSWGCGISA-N 429.521 2.064 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCN(O)C1=O)c1cccc(Br)c1 1141380630 WSEMTMLNXODXAW-STQMWFEESA-N 428.283 2.121 30 10 IEEE COC(=O)[C@H](C)c1cccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1142142456 ADILWAOADVBVMK-UONOGXRCSA-N 429.498 2.419 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)OC)s1 1149304550 NEABLKOHZUEASW-AUUYWEPGSA-N 436.555 2.422 30 10 IEEE C=CC[C@@]1(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1158504230 XPMQKTPEVSKXIT-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1 1163760632 MYJJAVMEHAYMIF-ZDUSSCGKSA-N 430.486 2.214 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C[C@H]3CCCO3)C(=O)OCC)ccc2c1=O 1177476394 RBWAZNCMTDRGGB-RHSMWYFYSA-N 431.514 2.102 30 10 IEEE CN(CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)c1ccc(Cl)cc1 1178460811 SJMVXWWIMGFVKF-QGZVFWFLSA-N 447.948 2.330 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2c(OC)cccc2OC(F)(F)F)c1 1185655374 TUJYIDDIKWDNGA-UHFFFAOYSA-N 428.388 2.492 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)CC1 1196790324 SSRYWYINNDOFJU-WIOPSUGQSA-N 446.530 2.487 30 10 IEEE C=CCc1cc(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc(OC)c1OC 1225351098 UEVULLPIGACDHA-KRWDZBQOSA-N 446.525 2.466 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286291401 XDUMFHNCTDWHEF-UONOGXRCSA-N 438.454 2.348 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1286384224 QFYWWYCFEKGFIO-PKOBYXMFSA-N 441.582 2.197 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286392724 MXMABWVABFCGPK-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286394192 NUJRVGSRXYVHNL-LEWJYISDSA-N 442.585 2.268 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1286397449 ZLIQKZLCCOQGKJ-MRXNPFEDSA-N 446.602 2.251 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(O)CCC2)CC1 1286472750 FISIIHDUERXWGJ-UHFFFAOYSA-N 433.354 2.096 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(C)=O)CC1 1286509890 DVZWIZZBHCWAOG-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C=C(Cn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1286619188 NTJWUGIXXWCJHI-HSZRJFAPSA-N 425.533 2.358 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)NC(C)C 1286695016 MHOZXFZWICUCGF-UHFFFAOYSA-N 447.609 2.474 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(CC)C1 1286783940 QRUOMSNWUMZVNE-QFIPXVFZSA-N 429.521 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286818440 WTRDYDUHXPKWMX-CABCVRRESA-N 437.532 2.465 30 10 IEEE CC(C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C#N)CC1 1287098382 IAJQXVDKDQXNGP-UHFFFAOYSA-N 448.487 2.217 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1291154183 UQRQXTDSYLPBSH-SJORKVTESA-N 431.562 2.360 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1292768711 FEYWPWFWQUBPHH-WQFQCULDSA-N 445.543 2.351 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(O)CCC1 1296885367 IBRHYLABTCTBLV-KRWDZBQOSA-N 427.505 2.290 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1296991120 GIRPSDCXDXRSQZ-IBGZPJMESA-N 436.520 2.403 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCCC1 1300509270 IRMJABQONUMDJL-UHFFFAOYSA-N 438.963 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C(C)C 1300578659 FHZVFCALRAKQBA-UHFFFAOYSA-N 445.527 2.219 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1300745374 JRSKRJXNGZOAKC-MRXNPFEDSA-N 429.546 2.030 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1301044244 DEJNJZHYHRXRAW-UHFFFAOYSA-N 427.933 2.232 30 10 IEEE COC[C@H](F)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301084831 YHHAVFYECVPTNP-AEFFLSMTSA-N 444.511 2.027 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)CN(C)C2=O)C1 1301565676 JEGJSTGBJNWPRS-CVDCTZTESA-N 425.533 2.425 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1301819346 UVDKXSXBDDYCHU-LJQANCHMSA-N 428.562 2.037 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCSCC1 1316293354 PFNGMKDWRFTNJH-WFXMLNOXSA-N 434.610 2.181 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1/N=CC=CC1=O 1358881578 IZLZSPGDTRNDPV-FRKCRFBYSA-N 441.495 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1n[nH]c(C)n1 1359021676 WZHHRIGSTAHNFM-UHFFFAOYSA-N 429.912 2.362 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359024513 ORDNOFGRNHDRAD-HXUWFJFHSA-N 435.532 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2nccs2)CC1 1359044563 IZMGPGDAZPSKGX-SFHVURJKSA-N 442.589 2.227 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](CC(N)=O)C1 1359077880 NLRZZLJWEMTELF-KGLIPLIRSA-N 430.347 2.003 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1359110760 AEARYUTZHPWVNZ-OAQYLSRUSA-N 445.593 2.119 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCOCC1 1359269384 ZGDBQYYJTRREBO-UHFFFAOYSA-N 449.563 2.210 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1359286237 AJZNTPGWZWNYKR-UHFFFAOYSA-N 428.518 2.230 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359299258 AEKTYJRJIPGLRM-VQTJNVASSA-N 447.580 2.376 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C)C1 1359334392 DFKQDDZBVBQSII-QGZVFWFLSA-N 429.546 2.107 30 10 IEEE C#CCN(C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 1360055285 QJRNRCYHTWQKGR-IBGZPJMESA-N 438.484 2.336 30 10 IEEE Cn1cc(C[C@@H](CO)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cn1 1451793713 FRYKVDZNLYUNJS-IBGZPJMESA-N 449.536 2.356 30 10 IEEE N#C[C@]12CN(C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)C[C@H]1CS(=O)(=O)C2 1463162576 CFYSLZAUJRJMGP-YVEFUNNKSA-N 425.297 2.189 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2nccn2CC(F)(F)F)s1 1464830432 VVVKXOJSDHTIEE-UHFFFAOYSA-N 436.481 2.172 30 10 IEEE N#Cc1cn(CCNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c(=O)nc1O 1470360027 AZTNBYHKFMGDEW-UHFFFAOYSA-N 434.843 2.243 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(Br)s2)c1=O 1473069776 ZPVGNULWFSKUEE-UHFFFAOYSA-N 426.292 2.096 30 10 IEEE CN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1503429366 YAORKMPLUZULHE-QQMHEVNUSA-N 428.537 2.467 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](C)c1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1507625503 JWMHNJUHALOLIN-QAPCUYQASA-N 440.529 2.067 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(CN2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1507626913 QLKIHUKNUNGFLO-QFIPXVFZSA-N 441.601 2.247 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCOCC1 1507701922 PHUYWKRTFRMZRE-FQEVSTJZSA-N 441.507 2.157 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1c(C)nn(C)c1C 1507708342 JBDLEWQNYJXVDG-UHFFFAOYSA-N 436.516 2.201 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@H]1NC(=O)CC1(C)C 1507714740 UUKBZFNDCQRXGJ-LJQANCHMSA-N 425.533 2.166 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CCC(OC)CC2)CC1 1507727176 OFDJLUOUENUJAI-UHFFFAOYSA-N 439.608 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC(F)(F)CO2)CC1 1507739862 LGKMFPHKLALOIM-QGZVFWFLSA-N 449.527 2.320 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507774876 DPUGWXGZXTWSJW-CQSZACIVSA-N 441.374 2.018 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1508008701 QLCUVZFPUWIGSK-GOSISDBHSA-N 426.496 2.087 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1508088968 HSTWFQIGXKDUNV-QRVBRYPASA-N 446.596 2.343 30 10 IEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1NC(=O)CC1(C)C 1509605919 LQJTYQOELMMOCW-IBGZPJMESA-N 449.559 2.372 30 10 IEEE Cn1cc(CNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)c(-c2ccc(C#N)cc2)n1 1515247695 PXQRTYUQPITMFE-XMMPIXPASA-N 448.527 2.466 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1518714644 DEMCCKGSALTKDX-INIZCTEOSA-N 447.561 2.025 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1519393961 UZJWCOFWYYSIPE-UHFFFAOYSA-N 441.532 2.256 30 10 IEEE CSC[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1531717633 FIJVMQOQUROCKD-HSALFYBXSA-N 440.569 2.114 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1535625497 BKBIMIPEVYHDFJ-CQSZACIVSA-N 439.541 2.474 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)COCCc3ccc(Br)cc3)CC2)c1C#N 1537403240 QBXAGNHRMZSSSI-UHFFFAOYSA-N 446.349 2.271 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539215375 APULJDXCNXKXFU-ADKAHSJRSA-N 430.578 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(N2CCOCC2)CC1 1539290265 QVYGCDDDXKWCCT-UHFFFAOYSA-N 433.556 2.412 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCCC2)CC1 1539468306 CYTXGISMESOZSM-HSZRJFAPSA-N 429.565 2.086 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CCC)C(=O)C1 1539627689 KXQIYTRKJDNQFG-PXNSSMCTSA-N 425.537 2.165 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539630966 HSUGTOAMMQHKGI-PKOBYXMFSA-N 437.610 2.387 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@](C)(CC)C1 1540871571 OOKZCEFZOXEAMS-GCJKJVERSA-N 427.505 2.098 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1554568468 RGPBMUNENRSZNR-AEFFLSMTSA-N 426.477 2.127 30 10 IEEE C=CCC1(O)CN(C(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)C1 1558317665 RYEUKSNFXDIZQY-GFCCVEGCSA-N 427.452 2.161 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3ccccc3c(=O)n2CCCO)c1 1559319553 UBQABWMXYHLOLF-UHFFFAOYSA-N 436.493 2.201 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2cc(Br)no2)c(C#N)cn1CCOC 1562591006 GDWAPADVNHWVIE-UHFFFAOYSA-N 440.254 2.255 30 10 IEEE Cn1cc(Cl)c(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 1564782768 OYNLAZDBPJNYNE-UHFFFAOYSA-N 430.875 2.284 30 10 IEEE C#C[C@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)C1CCOCC1 1565106767 WLNGAFDEFBKGSE-QHCPKHFHSA-N 440.588 2.085 30 10 IEEE C#CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1)C(=O)OC 1570218840 KJSMIPMNTYKMJS-IBGZPJMESA-N 430.482 2.181 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(N)=O)[C@H](c4ccccc4)C3)ccc2c1=O 1570355538 GMXPIWRUUJFGNH-ZWKOTPCHSA-N 434.521 2.212 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)C1 1570831391 NVYVZIHNWDEIRT-IBGZPJMESA-N 427.526 2.468 30 10 IEEE COc1cc(COCC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)ccn1 1587341939 UMPIRZYMLSFISK-UHFFFAOYSA-N 434.500 2.304 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(Br)cc(N)c2N)CC1 1587645323 NQUSQSJKHDMOOK-UHFFFAOYSA-N 431.294 2.313 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1587783252 MVWSHFYMQCCBDG-UHFFFAOYSA-N 447.605 2.142 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1587888764 MQXUWGXKCFUCBX-UHFFFAOYSA-N 425.533 2.321 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1588012054 UAMQIMMGRQEOKH-FQEVSTJZSA-N 435.576 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1588186381 XMDBWCTZFOCYEN-DQEYMECFSA-N 434.540 2.227 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O 1588660199 SIBLNOXFBBDQDL-LJQANCHMSA-N 434.537 2.061 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N(C)C2CC2)CC1 1588762037 DVAAGBLDVLCDGH-SFHVURJKSA-N 438.576 2.200 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)cc2)CC1 1588848482 HIKWQPDGEAWMOT-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594498116 QNXRCSOEZDODJD-DLBZAZTESA-N 430.553 2.247 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1594533703 FKWRUAUXNYUSKM-LFGUQSLTSA-N 447.605 2.455 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 1598245196 MTWFAQHQVVQPKA-GJZGRUSLSA-N 437.493 2.323 30 10 IEEE CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1603011893 JGEIZNDJWCIOND-LJQANCHMSA-N 446.577 2.293 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CC(=O)N1C 1612911974 UOYPGZVFMBNUKS-FXAWDEMLSA-N 438.532 2.069 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CCOC1 1616140423 JTJXUMSALQGFES-JZZBYWGLSA-N 433.553 2.254 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)(F)F 1617869537 BABXKLSLVFRFPO-UHFFFAOYSA-N 443.433 2.450 30 10 IEEE CCOC(=O)C1([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1618072533 KFGPZLSJOHSNTK-HOCLYGCPSA-N 447.919 2.429 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(S(N)(=O)=O)sc2C)C1=O 1626593071 UCRJDWAYNVTJCJ-KRWDZBQOSA-N 430.552 2.020 30 10 IEEE COC1(CO)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1628121069 ZIUYWDFPDLXMSV-IBGZPJMESA-N 429.517 2.392 30 10 IEEE Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nccn2C)cc1S(=O)(=O)NCC#N 1628352183 VCHCJXLSVBMNSD-LJQANCHMSA-N 437.525 2.244 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1631155997 GJBVQASVGAMTGZ-UHFFFAOYSA-N 443.552 2.104 30 10 IEEE CCN(CC)C(=O)CN1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1634976367 XWDSORZHKWITFI-SFHVURJKSA-N 437.585 2.023 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1639050511 VUXCKMCZXIBPMN-NRFANRHFSA-N 435.452 2.240 30 10 IEEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(I)ccc1N1CCCCC1 1641378592 ALIWSPGDZQJODU-CYBMUJFWSA-N 429.258 2.001 30 10 IEEE C=CC1(CC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CN(C(=O)OC(C)(C)C)C1 1642653245 LZAFLSSBVHGPNP-IAGOWNOFSA-N 441.594 2.309 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CCc2cccc(C#N)c2)CC1 1642995743 RBNANGARMYMFDQ-UHFFFAOYSA-N 429.546 2.000 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C(F)F)C1 1643313798 TZRYCERTYGIGKJ-QGZVFWFLSA-N 433.455 2.472 30 10 IEEE C#CCn1ccc(CN(CCOC)C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)n1 1645480252 QRTJLHLXHOJSNR-XMMPIXPASA-N 440.544 2.128 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1648265186 ZWPQHUHWEVFNJD-SFHVURJKSA-N 449.573 2.460 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC[C@@H]2c2ccc(I)cc2)CC1 1658075241 SEZUMHSGNWRTRE-GOSISDBHSA-N 437.325 2.206 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C[C@H](O)CC3(C#N)CCOCC3)C2)cn1 1659839976 IZWZRJIABXOUFX-WSTZPKSXSA-N 432.565 2.239 30 10 IEEE C#CCC[C@H](O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1662179349 YBBBAVVPYQZADF-KRWDZBQOSA-N 447.513 2.400 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 1664904143 UUBWIKCTTLDHGU-UHFFFAOYSA-N 433.280 2.323 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1666053221 ITOWQGJNTRTKAO-SFTDATJTSA-N 433.574 2.052 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1678356289 QHRMYUMITXAVPC-MRXNPFEDSA-N 433.324 2.339 30 10 IEEE CS(=O)(=O)c1cccc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1681118262 FOUTUNASZYTAHQ-UHFFFAOYSA-N 426.542 2.426 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1689982467 OCAYIPLRFRWANA-FQEVSTJZSA-N 441.557 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)c1nccs1 1690008259 BVLLFSBXCGWACV-MRXNPFEDSA-N 429.513 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(COC)CCOCC1 1690022568 JPMTZSGXLJDHPZ-UHFFFAOYSA-N 432.528 2.033 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC=CO1 1690063908 UBHRVCWZDSUERV-GOSISDBHSA-N 429.546 2.348 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCN(CCC)C2)CC1 1690131039 SHCISHGUNZXALP-QFIPXVFZSA-N 436.604 2.387 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690225532 BVFBXGPPEOPNSW-UHFFFAOYSA-N 436.358 2.328 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1690242788 CNDUAWSKDBXNJW-FXAWDEMLSA-N 427.553 2.107 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC)[C@@H](C)C1 1690319556 QTTRZEPALGGNKQ-KRWDZBQOSA-N 432.594 2.393 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1690508578 LKDPGTOZDLYNNG-LPHOPBHVSA-N 426.608 2.106 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2snnc2C)C1 1690687568 DTPAVHRIFRJGEU-UZLBHIALSA-N 434.566 2.308 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690742744 ZTPUSDQOZQZMRV-UWJYYQICSA-N 431.537 2.385 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccco2)N(C)C)cs1 1693360989 JQDMKJPNZCEZMI-DLBZAZTESA-N 427.534 2.259 30 10 IEEE CCO[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696223993 UQXIEVYMEWHNFY-UFVMTTLYSA-N 428.537 2.467 30 10 IEEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1696580554 CLNIXTDHRKCNBW-OAQYLSRUSA-N 427.509 2.004 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CCO1 1698492307 AYPGLDWCSPYTGN-SJORKVTESA-N 447.586 2.091 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OCC(N)=O)CC1 1705513925 DCFWGCKUJLAHCT-UHFFFAOYSA-N 447.543 2.405 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705527508 ZTVREYIYMHOGSC-UFRUDQCGSA-N 428.558 2.359 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1CC 1705585782 ZSGHBROLZTWYRK-UHFFFAOYSA-N 449.584 2.249 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)OC)C1 1705657178 VYIMGTBQUIFTTN-KRWDZBQOSA-N 442.541 2.472 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCC2)C1 1705663648 AXOUWDNHZZDBFB-UHFFFAOYSA-N 431.587 2.395 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705683160 ANUJDJFEKHYPJS-ZDUSSCGKSA-N 441.351 2.486 30 10 IEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705689887 CKZHWBRKPQBDCR-MRXNPFEDSA-N 426.359 2.261 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705695474 XJRVSHAFAWRHDH-ICPLQIHGSA-N 444.580 2.037 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705704721 YQJGAVPCHJZUHJ-UYAOXDASSA-N 435.532 2.395 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705821834 JVKAXFHNTZLTIS-UHFFFAOYSA-N 444.565 2.073 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705830143 KCYPULOQABMMGH-UXHICEINSA-N 429.569 2.500 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1705964130 GLENLKDBADFUOS-MRXNPFEDSA-N 439.545 2.451 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCC1 1706077246 HIDRMOISLFRRPS-INIZCTEOSA-N 443.577 2.268 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCC1 1706077249 HIDRMOISLFRRPS-MRXNPFEDSA-N 443.577 2.268 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCN(C)CCCOC 1709126616 BXRSEXPKMMFOPS-UHFFFAOYSA-N 425.581 2.397 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710313443 ROKHMXTYJIZEMF-UHFFFAOYSA-N 425.537 2.174 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1711225569 CQEMWQGFJKTWAV-CZIZESTLSA-N 441.536 2.061 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722344753 BFKJYQONYXXJFW-VQTJNVASSA-N 438.557 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCN(CC)S(C)(=O)=O 1722379151 FQKVZNBOIBWVHS-UHFFFAOYSA-N 439.541 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCCC1 1722393046 PXUWJWCEVRNIPG-FQEVSTJZSA-N 443.559 2.116 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC1(N2CCOCC2)CC1 1722422901 SDVNDGQWIDCAML-UHFFFAOYSA-N 427.524 2.458 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1722457794 NTXSCMAXXWJXOP-UHFFFAOYSA-N 431.525 2.158 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722464379 DLHDHRXUWSDHIN-ZHALLVOQSA-N 431.606 2.374 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1722473410 CTDQEGUSDVFSLT-SIKLNZKXSA-N 433.622 2.438 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722511472 ZRNAIRVARNDRDV-GMBSWORKSA-N 430.578 2.282 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1722625795 XXCNYAIRHNGOFV-SFHVURJKSA-N 443.548 2.076 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1)C1CC1 1722650905 NWXKEOOQQOCOLQ-VQIMIIECSA-N 441.623 2.052 30 10 IEEE CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1723254060 BUIUZYJVHQBEGT-UEXGIBASSA-N 436.626 2.287 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1728140437 KCCCJCGFGFDRBF-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE CN(Cc1cc(Cl)ccn1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729391171 BLYHDTFPQXIETB-HTXNQAPBSA-N 427.896 2.367 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1729570605 YIFJLSJEDGXMSQ-RJCBAWPRSA-N 438.536 2.077 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](OC)c1ccc(F)cc1 1730876285 NKPRNVGOEBPQQH-MNEFBYGVSA-N 433.484 2.258 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCCOCC(F)F)c1 1731183064 RBENUSOVJUCTTF-IAGOWNOFSA-N 430.459 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1740552056 MYKJBOFGDBXVJJ-NSHGMRRFSA-N 433.622 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(O)(CC)CC 1740629107 ANYOPNLCYXCBCK-UHFFFAOYSA-N 427.936 2.485 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@@H](C)CC 1740729846 MYQIMNFUIQOBQB-OYHNWAKOSA-N 426.521 2.303 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCCCC1 1740959031 JBGZDBKXQILTMQ-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740995339 IPISURSVNKDDSK-AWEZNQCLSA-N 434.532 2.408 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)NC1CC1 1741171569 QEOZEAUJWBBHBN-UHFFFAOYSA-N 436.564 2.228 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(CC)CC)c1 1748790922 OOIQDYQUXAYBFI-FQEVSTJZSA-N 429.590 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1748875009 HUMNRVOPHGZJIS-QGZVFWFLSA-N 430.553 2.183 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1748902167 CCPLLDOUSAFTBL-UHFFFAOYSA-N 449.433 2.007 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOc2ccc(OC)cc2)CC1 1748992874 JCNPSQCECLSCFE-UHFFFAOYSA-N 446.555 2.497 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749048845 WOHMITNBRWSSFG-IAGOWNOFSA-N 432.477 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749140853 UAWSRMRUAJZNNF-SBHAEUEKSA-N 430.553 2.206 30 10 IEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)CC1 1749445658 UUZBWGVQYMPXMC-UHFFFAOYSA-N 426.546 2.497 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1)C1CC1 1749508777 ZRTCGPVJFHFRCL-FZKQIMNGSA-N 425.580 2.012 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C[C@@H](C)O1 1749545946 DJFOARDCBQZZMF-QMMLZNLJSA-N 441.532 2.252 30 10 IEEE COCCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1749740401 VRRXILCPBDNMFT-QFIPXVFZSA-N 444.511 2.322 30 10 IEEE COCCN(C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1\N=CC=CC1=O 1749753062 AZODDCVVLQLWHX-LSDHQDQOSA-N 447.499 2.102 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccncc1Cl 1760173381 SQUJWXRXAGOIEW-UHFFFAOYSA-N 444.948 2.362 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760177249 FPVHQCNNVJGSDJ-QURGRASLSA-N 434.500 2.070 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1760185185 RRMCEEDCQFSDJL-CQSZACIVSA-N 442.463 2.340 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@]2(C)CCCO2)n1 1760252524 OVVMAEDDJPXUBP-CVDCTZTESA-N 442.564 2.224 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760283267 ICIGQBHXKGJPAY-GOSISDBHSA-N 428.587 2.399 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760287340 OUOZQXJJLQPXQM-GOSISDBHSA-N 432.594 2.222 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1761356320 DWYGPYBQPDAJSG-SJORKVTESA-N 449.519 2.064 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1761451373 SXRDGPYMOLCCCY-AEFFLSMTSA-N 447.561 2.025 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763656047 NHINQHFSNYPIFV-OSCRUYLVSA-N 428.537 2.325 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1c(C)noc1C 1766262337 HPOVIZVQVZXTBY-UHFFFAOYSA-N 437.504 2.496 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1768659501 DHMFAGSHGKGZPC-RTBURBONSA-N 427.530 2.033 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(CS(C)(=O)=O)c2)cn1 1768999720 CXYLINVMAKYJMD-UHFFFAOYSA-N 439.545 2.011 30 10 IEEE CN1C[C@](C)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1769055608 XNCUAAOPAVCKSB-MGPUTAFESA-N 446.964 2.431 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CCO1 1769522294 TWLLZRBCJSEUJY-IBGZPJMESA-N 427.436 2.361 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1769659481 NVGQMVHJGVBSBR-UHFFFAOYSA-N 436.495 2.499 30 10 IEEE COc1cc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)ccc1OC(C)C 1769826574 CVFWTMFYIKQAPZ-UHFFFAOYSA-N 436.472 2.190 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1770216740 FUJURFLKRGTGHE-ZVZYQTTQSA-N 430.509 2.065 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1770433107 WFLKFUBWEVPUMC-VFNWGFHPSA-N 426.546 2.339 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1771478841 BTPGHLIZAAGILG-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE CCN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ncc(C(F)(F)F)cc2Cl)CC1 1851538822 LAKDTCPZHLSUEO-UHFFFAOYSA-N 441.845 2.387 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)n1 1852004624 JAWIGJHBOLFAGI-UHFFFAOYSA-N 444.421 2.425 30 10 IEEE N#Cc1ccc(C(=O)CO[C@@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)cc1 1852800264 JTBYZTYHTRMGEM-NRFANRHFSA-N 440.521 2.364 30 10 IEEE N#Cc1ncc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CCCN(Cc3ccccc3)C2)cn1 1853427566 JIJXERWVDWASRI-JOCHJYFZSA-N 446.555 2.468 30 10 IEEE C=C[C@H]1CCCCN1[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1854536061 FWXNTGAEBRVLQM-AZUAARDMSA-N 431.558 2.253 30 10 IEEE COc1ccccc1[C@H]1C[C@@H]1C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855689136 ALQPHPYEVYIQCV-CVEARBPZSA-N 425.466 2.032 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)c2nn(-c3cccc(OC)c3)c(=O)cc2O)nc1C 1859644118 FCGAZKDJHFCDTG-UHFFFAOYSA-N 442.453 2.307 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(OC)c3)CC2=O)cc1 1870159594 QCKGANGXGNWBDS-CQSZACIVSA-N 432.440 2.148 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2)cn1CCNC(C)=O 1870759180 HOFUGKJQXJFSME-UHFFFAOYSA-N 438.528 2.176 30 10 IEEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870771663 ZPXBGHGXDKLFJJ-UHFFFAOYSA-N 425.529 2.465 30 10 IEEE COC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(O)cc1O 1874296561 HNYQZLZUJNYACW-KEBDBYFISA-N 443.441 2.336 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccn1C 1874431711 YHHHLPIPBPKKCL-FOKLQQMPSA-N 439.545 2.483 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060624311 WZJZYUIMSXIQPN-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124541472 SWGYGQOKVKWJLS-SFHVURJKSA-N 445.369 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2250272486 OLUBBDAMAHSROJ-CHWSQXEVSA-N 437.371 2.475 30 10 IEEE Cc1c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255532735 OHUMETPCPQNDQG-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255604338 LGMMAQPLKQVTJC-UHFFFAOYSA-N 434.346 2.134 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617242 BNABMTVDJZALIC-KBPBESRZSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255647803 DIORMJQUHISEDT-AWEZNQCLSA-N 435.305 2.259 30 10 IEEE Cc1c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999757 OSDPXEQZICYCOP-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE CO[C@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267106267 XLCOLWNNXAMDBU-ROUUACIJSA-N 446.353 2.350 30 10 IEEE CCN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(Cc2ccccc2)C1 2267188447 MGTKLABGVOICLU-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267266555 DQNACPNZNFBWQD-IRXDYDNUSA-N 449.332 2.458 30 10 IEEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267509979 DOUVGZXLJNCVFK-LJQANCHMSA-N 438.381 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879934 NEEXQWVAPVTDLB-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE CCC(C)(C)N(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270508008 JTOQINVLPRWVIM-MRXNPFEDSA-N 425.507 2.100 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCSCC(F)(F)C2)OC1(C)C 2282858743 BSYFSOYFGXNUNN-UHFFFAOYSA-N 425.353 2.420 30 10 IEEE COC(=O)[C@H](CC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2303150840 MWFPRMFVOBWPCH-KBPBESRZSA-N 426.319 2.138 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)n1 2315390471 PBDVWTIXGKVLFX-MRXNPFEDSA-N 435.374 2.401 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc1 20291811 XGTLSAVPBPCWFG-KEBDBYFISA-N 442.461 2.086 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1OC 20827613 UTDRAQIOLNHQNT-ODCIPOBUSA-N 444.521 2.208 30 10 IEEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2cc(Cl)ccc2c1=O 21832051 RCKKLYTZNMFNLB-GFCCVEGCSA-N 434.949 2.454 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c(OC)c1OC 30503796 ZRNZZBGFKRJUDO-UHFFFAOYSA-N 431.514 2.091 30 10 IEEE CCN1CCC(N(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C2CC2)CC1 108951660 XZXRPCGTNPIMEY-UHFFFAOYSA-N 444.601 2.434 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CC(=O)N2CCCCCC2)CC1 218958872 CJDKOCPOCRIHPI-KRWDZBQOSA-N 443.617 2.456 30 10 IEEE N=C(NN=Cc1ccccc1[N+](=O)[O-])S[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 252620386 MCZNFTBNWRVYPC-HNNXBMFYSA-N 441.425 2.217 30 10 IEEE CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409478378 QSWVFIMZFMKVCN-FHLIZLRMSA-N 430.933 2.062 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cc1Br 433349881 ASAHXXNDTHLPFO-PBLWTQDTSA-N 435.343 2.108 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 437014749 AXGGEXIWRRYMDH-XHDPSFHLSA-N 425.279 2.272 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 441400852 LSXVMQFOUNWQDN-SFHVURJKSA-N 447.916 2.135 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCc2cccc(N3CCOCC3)n2)CC1 446636227 FGUOEWKGAMKDPM-UHFFFAOYSA-N 436.516 2.374 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ncn(Cc4ncc(C)c(OC)c4C)n3)cc2C1=O 447702643 ZKCVWZNNLJHTDV-UHFFFAOYSA-N 446.467 2.381 30 10 IEEE N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 465395391 PLJAFKTUVGZDBU-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)c(C)s1 466103630 NVQKBGGEIAFNMG-UHFFFAOYSA-N 448.570 2.332 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C 469186371 XITBXTVXHAQTKI-KUHUBIRLSA-N 428.514 2.249 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 479887439 HWJJFTZHEBDEPD-QGZVFWFLSA-N 426.542 2.137 30 10 IEEE C=CCN(C(=O)N[C@H](c1ccc(C(=O)OC)cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 482437111 OQZLWYGPAUCFOH-HUUCEWRRSA-N 434.436 2.461 30 10 IEEE COC(=O)COc1cccc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 494187772 DQZKGXKNXREJOK-UHFFFAOYSA-N 434.370 2.364 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 508879609 HAOLZISJDUHKQS-QHCPKHFHSA-N 446.555 2.434 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)nn(-c2ccccc2)c1N 517616599 BDUGILPXSJEGOA-OAQYLSRUSA-N 443.511 2.363 30 10 IEEE COC(=O)c1cc(I)cc(NS(=O)(=O)c2ccc(C#N)nc2)c1 534792984 NYRVTNZSXMJMGT-UHFFFAOYSA-N 443.222 2.145 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 552715437 OWMGDZWSDMODNK-AUUYWEPGSA-N 441.575 2.137 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)C1=O 561534780 WJJDJLOVCGAEIB-WMZOPIPTSA-N 445.497 2.113 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)cc2C1=O 578660033 OTJFTNUQNZGCEV-IRXDYDNUSA-N 445.475 2.118 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 583097196 WZCLCAHIPNBINS-MRXNPFEDSA-N 425.493 2.452 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)c1 609756612 MDJLKXPEVRSFKM-SFHVURJKSA-N 442.541 2.286 30 10 IEEE N#C[C@H]1COCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 610492610 HNWHFBFRSGGALF-HNNXBMFYSA-N 437.880 2.322 30 10 IEEE C#CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 734106426 CXIBAHAZDVDJDI-UHFFFAOYSA-N 441.553 2.479 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1C(F)(F)F 741340581 FNQUWBWSHUTVFO-QHKYSRAXSA-N 425.363 2.492 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CCN1C1CC1 747480564 SXDWRHGJADSRQI-FQEVSTJZSA-N 441.495 2.276 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 749790301 BIHUCPPRBKWGDJ-ROUUACIJSA-N 436.553 2.250 30 10 IEEE C#CCN(CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@@H]1CCS(=O)(=O)C1 749841985 FUBBKPFHKXSBCH-GOSISDBHSA-N 428.510 2.128 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C#N 752305445 OORHWVGVHXLMAP-HNNXBMFYSA-N 429.477 2.229 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1 752611456 UVDMDNDKLDLEFL-AUUYWEPGSA-N 430.482 2.370 30 10 IEEE CN(C)CC[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757550289 KROWQDZNXJIFEQ-JOCHJYFZSA-N 449.507 2.050 30 10 IEEE CC(C)[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)n1nnc(-c2ccccc2)n1 760404561 HFVDABFDJFHEHO-KRWDZBQOSA-N 430.534 2.457 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)C[C@@H]1CCCO1 760772599 IXLOZIIRHJLPRI-SFHVURJKSA-N 429.521 2.018 30 10 IEEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 761038299 QFSDICJUJQBIHV-QAPCUYQASA-N 429.521 2.362 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)c1 772301906 GITUEQJAAKVLGK-UHFFFAOYSA-N 443.370 2.274 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NCC(F)(F)F)C(=O)N1[C@@H]1CCOC1 782977855 CVDMPRULBRFJRE-TZMCWYRMSA-N 426.420 2.347 30 10 IEEE C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CCCN1C(=O)OC(C)(C)C 790680544 BYTKMHZCEDPHQL-ZHRRBRCNSA-N 431.537 2.296 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CCN1C1CC1 802555051 DFFNPBRWWZVFPN-ZDUSSCGKSA-N 428.290 2.135 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 804672929 VILUUAGSQYYURS-QYZOEREBSA-N 431.533 2.466 30 10 IEEE C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 805127160 OCLUUYMWXCTZRS-RVBZMBCESA-N 425.379 2.303 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)(F)F 811041718 GVQNMBBCCDCMND-SDDRHHMPSA-N 436.431 2.317 30 10 IEEE COc1ccc(C=NNc2nc(SCC(=O)NC(C)C)n[nH]2)cc1OCn1cccn1 1084015377 DSXDJSUHLULXQO-UHFFFAOYSA-N 444.521 2.109 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccs3)n2N)cc1OC 1084369372 LXCXETLISHPNGI-UHFFFAOYSA-N 433.519 2.247 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084370436 DLFFSSDKGGBKJY-UHFFFAOYSA-N 427.446 2.425 30 10 IEEE CCOc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)c1 1084632495 KADLDNAMWDNDJL-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE CC[C@@H](C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1130359310 JTJVNFMSHJCHES-DNVCBOLYSA-N 435.546 2.053 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1130689488 CVWRFQDVVYZOKZ-DZGCQCFKSA-N 436.306 2.225 30 10 IEEE COC(=O)CNC(=O)Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 1136258479 AKCYONTXOOEHHN-UHFFFAOYSA-N 436.468 2.137 30 10 IEEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1136915888 PNAGADANZCGWTF-IAGOWNOFSA-N 428.470 2.171 30 10 IEEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1137537000 FCECAUKHBKUYBT-HUUCEWRRSA-N 434.566 2.032 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](CO)CC2CCOCC2)C1 1139483437 JPYSEYWDDLYPPQ-OAHLLOKOSA-N 436.350 2.298 30 10 IEEE C#CC[C@@H](CO)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 1141592089 XTUQVTXRWPXPAV-KRWDZBQOSA-N 437.525 2.321 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1149979948 ZTCRHZIIJHGQSM-INIZCTEOSA-N 444.963 2.195 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cn(C)nc2-c2ccccc2)s1 1154053023 JRBGIGUALDJRJM-UHFFFAOYSA-N 430.555 2.472 30 10 IEEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1163651940 GCCPJVLRADMJQN-SFHVURJKSA-N 438.440 2.404 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3C[C@@H](OC(C)C)C3)nnc12 1183669410 HIMMLCYLFWEZKL-GASCZTMLSA-N 427.530 2.395 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1286391261 DGRMAEKOMQGPGU-ROUUACIJSA-N 448.976 2.305 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(Cl)cc1 1286409404 LEFGASDGYNODAE-IEBWSBKVSA-N 446.960 2.294 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)OCCCO2 1286465665 QPXGXJOXFIOYPG-IBGZPJMESA-N 426.517 2.468 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCCCC1 1286467456 WMQFKMXSIJMUHQ-UHFFFAOYSA-N 435.576 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1286516120 WLEFPNAKMKPQOW-MOPGFXCFSA-N 433.354 2.094 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1286522560 LKYDVSIPCVQWFT-YLJYHZDGSA-N 435.594 2.183 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286684327 HBLVFQBVFJTKIO-SFHVURJKSA-N 433.582 2.039 30 10 IEEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286702288 JIJQRGNUIFWTFF-GOSISDBHSA-N 426.496 2.447 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC)[C@H](C)C1 1286707907 KQFSDCKMGSFAJY-GOSISDBHSA-N 447.605 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C)C1 1286821973 FLSNEMMAKMHBRU-MRXNPFEDSA-N 429.546 2.176 30 10 IEEE COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)cc1 1289684748 ZAKUEXGAOXKIIS-UHFFFAOYSA-N 445.479 2.405 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 1291710924 SRDBMPDQSNXDEY-UHFFFAOYSA-N 447.561 2.366 30 10 IEEE CCOc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1296854540 PLFOOYPPKFGDED-CVDCTZTESA-N 441.532 2.494 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1298583901 WBCOKUQHJXFEGI-FQEVSTJZSA-N 441.532 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1300268489 QTKDUHKWOMFASY-OAHLLOKOSA-N 426.487 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1snnc1C 1300561425 QYFPFLUDTMDORG-UHFFFAOYSA-N 440.554 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)Cc1ccccc1 1300592023 YZOWPIYGESVSSD-UHFFFAOYSA-N 443.555 2.261 30 10 IEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1300756501 OYLDXFUBSCMXMY-MRXNPFEDSA-N 437.573 2.491 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301148499 PNFMXMFCRYYOJD-WOJBJXKFSA-N 443.640 2.436 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(F)cn1 1301278151 GIFAINAAIZCNOQ-UHFFFAOYSA-N 430.509 2.400 30 10 IEEE COC[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301278319 PPCJKDLKISOURO-VEGAHXMMSA-N 442.564 2.400 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301403918 MTCSAUDVIXHBQY-GOSISDBHSA-N 433.553 2.468 30 10 IEEE COCCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1301415929 BMJDWRXGCDFMJY-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)cc(F)cc2C1 1301510087 STPIZHJBISMTNF-UHFFFAOYSA-N 441.486 2.283 30 10 IEEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1301594762 JKLXDRHNKUJVIT-INIZCTEOSA-N 427.582 2.475 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1301600472 AJZNPVZOLYDKIC-UHFFFAOYSA-N 440.573 2.467 30 10 IEEE C[C@H](CC(=O)NCC(=O)c1cccc(F)c1Cl)/N=C1/NS(=O)(=O)c2ccccc21 1302099598 BERFSEHXZBBDOU-LLVKDONJSA-N 437.880 2.295 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 1309854671 RLCTWBHPABDQED-UHFFFAOYSA-N 448.501 2.490 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1312092155 LZVRRVSBYRYSMS-SJORKVTESA-N 427.592 2.498 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1315409476 BDIDBUIPFAFLDL-QFIPXVFZSA-N 434.504 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1358889987 JSFOZMJELGMAGX-ZFWWWQNUSA-N 447.565 2.253 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1358915933 UMWAIDCVWXMVGR-LSDHHAIUSA-N 429.502 2.187 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCNC(=O)c1ccc(C)cc1 1358995967 MXPVFVOLTCNNOV-UHFFFAOYSA-N 426.524 2.465 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359057285 WLTPHRHWZCGVAX-OALUTQOASA-N 446.621 2.121 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1359069894 AXEZSFJQYAQWQJ-HSZRJFAPSA-N 444.580 2.473 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1359159129 NWLBDZMRFVPTRM-YWZLYKJASA-N 437.541 2.092 30 10 IEEE C=CCCOCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1359229801 VLZWGLWUSRIXCM-YJBOKZPZSA-N 434.459 2.290 30 10 IEEE C=CCNC(=O)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@H]1CCC(=O)N1 1359305605 HYOVKSRVAOOJME-NRXGSXMXSA-N 446.939 2.373 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1359307742 UDOATOHSIRWXMY-GOSISDBHSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1C 1359329185 BAFMIEUZDUJGNH-UHFFFAOYSA-N 449.968 2.273 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)c1 1443623135 YHZDYCLBMSNCNT-IBGZPJMESA-N 426.542 2.235 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)s1 1466085298 VFNJWRNCTBQSRP-NRFANRHFSA-N 432.567 2.455 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C 1469132010 BPICCPUQTCRJSE-AWEZNQCLSA-N 438.550 2.035 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C1 1469543096 ABSDQECGDNAJII-GOSISDBHSA-N 428.514 2.287 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1470285571 MJGBXGYSSCPZLB-UHFFFAOYSA-N 440.344 2.157 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4cncs4)CC3)CC2=O)cc1Cl 1470814978 DVHDKULVVIUXNE-HNNXBMFYSA-N 429.933 2.365 30 10 IEEE C#CCN(C(=O)Nc1cccc(C)c1I)[C@@H]1CCS(=O)(=O)C1 1477229504 OFOFDGSEAFRXAH-GFCCVEGCSA-N 432.283 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]2C[C@H]21 1478420523 YJTWYVSBWMKHLO-CEXWTWQISA-N 439.516 2.457 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)c1C#N 1479012285 IRSSXGWORQKPBM-GOSISDBHSA-N 447.584 2.371 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1494992786 BZOWLPUQSOFGOW-FXAWDEMLSA-N 447.547 2.389 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C#N)CC2)CC1=O 1504901078 DPCBTBLUGQFHMR-MRXNPFEDSA-N 443.939 2.228 30 10 IEEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1505325805 TXWBFLMRRFFEOQ-BBWFWOEESA-N 449.964 2.492 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1OCCC1(C)C 1507522645 XJFZMTOBPWZUEB-LPHOPBHVSA-N 445.589 2.468 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nnn(C)n1 1507540039 COQMIAJBWCJCQQ-HNNXBMFYSA-N 428.928 2.281 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507559132 LUIRHRWRRBDPGD-UHFFFAOYSA-N 435.454 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1507610128 CHDHUHQSYQMJOL-UHFFFAOYSA-N 448.556 2.459 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C(C)C)N1CCOCC1 1507671703 NTLACBXJCWNKRY-OAQYLSRUSA-N 440.617 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1C 1507673486 WAMMYWJWVSNPTB-ZWKOTPCHSA-N 425.558 2.405 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nnc(CC)s1 1507708143 IAVGBJHELPFWBE-UHFFFAOYSA-N 426.502 2.222 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507778295 DADMLMTXHHRXDL-AWEZNQCLSA-N 425.375 2.064 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O 1507796841 QWXQHYXTXBOYFS-RDJZCZTQSA-N 439.969 2.456 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)CC(F)(F)F)C1 1508108806 LULPLHCNBZWUNE-INIZCTEOSA-N 444.502 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCc2sccc2C1 1508139345 FRZSAKOLYFKEAE-UHFFFAOYSA-N 432.575 2.294 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1508143484 ZKIMYKAAQJUWQY-UHFFFAOYSA-N 449.537 2.093 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1508169048 XCGZMQRTAXWXAE-YLJYHZDGSA-N 433.582 2.282 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1509953192 KTQZBKKCIZMVTQ-DOTOQJQBSA-N 431.562 2.194 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)CC1 1510289371 MKTVRKFATQSMOH-CYBMUJFWSA-N 432.326 2.444 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2sc(COCC)nc2C)c1 1518824145 AUKAYBSJZFDJOY-UHFFFAOYSA-N 427.526 2.475 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc2ccccc12 1519163439 AVLAAPHMCUSMPE-INIZCTEOSA-N 443.529 2.341 30 10 IEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1520267716 PNKVTHZGDMDQEF-IAGOWNOFSA-N 426.546 2.339 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cc(I)ccc1N1CCOCC1 1534132064 HEOGWKTWMZLOQW-OAHLLOKOSA-N 442.297 2.286 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1538992091 KYZHBDVUMRMRBR-QGZVFWFLSA-N 441.532 2.059 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1539219413 CGFDHGSVYHJDDG-SQNIBIBYSA-N 438.619 2.290 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1539240082 WOPZNYFFODEVBJ-INIZCTEOSA-N 432.459 2.172 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 1539269462 QUGMWLOZEACEMW-PZJWPPBQSA-N 431.558 2.280 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(C)CC2)CC1 1539469698 UQIWEJZVAMZDJP-QHCPKHFHSA-N 429.565 2.086 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 1540330008 MBCCXZXJFCUAST-IBGZPJMESA-N 445.497 2.257 30 10 IEEE NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 1540569461 QCSWIGLLFKWDPN-QFIPXVFZSA-N 444.466 2.162 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCOC1 1540897638 OIIDLBOVFODHBD-DOTOQJQBSA-N 438.525 2.383 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1541726018 RZPWBUCRTHUDML-MBSDFSHPSA-N 444.580 2.363 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2nc(C)cc2C)CC1 1555584391 FYBKTFXDUPETDB-UHFFFAOYSA-N 448.575 2.489 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C1 1555711129 QCYWYNXYDHLTIA-IBGZPJMESA-N 435.532 2.282 30 10 IEEE CS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC#N)CC1 1555817450 BMFCNESBNLAOSF-UHFFFAOYSA-N 439.545 2.173 30 10 IEEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 1557980632 HIVRHDTZUSDXKV-UHFFFAOYSA-N 442.541 2.476 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1559843488 FTTBDOXATOYFHZ-DBDZUICISA-N 425.938 2.315 30 10 IEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1565247918 XAJRTSLOJSAZLY-VQTJNVASSA-N 428.533 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1587600092 ULNNHNWKRWYGBB-CEXWTWQISA-N 433.564 2.499 30 10 IEEE C=C(C)COCCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1593768741 ILZVJCPRLQQGBJ-OAQYLSRUSA-N 448.656 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CCC1CCOCC1 1595797387 FKNVORCCEQPKAN-GOSISDBHSA-N 426.583 2.026 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1598068702 GNHSYRKTNIBOHM-UHFFFAOYSA-N 441.536 2.298 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C2(c3cccc(C#N)c3)CC2)C1 1611545443 BTLLREOPLWSYOM-GOSISDBHSA-N 447.557 2.130 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCCCCCO 1612885610 VXHVGXGPGCYVSC-SFHVURJKSA-N 449.563 2.213 30 10 IEEE COC[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619585225 GSUPYTIGOOCLQD-MRXNPFEDSA-N 428.585 2.389 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1620065724 ZCESWXHAZBOGKS-CVDCTZTESA-N 441.532 2.112 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1620323313 HMQFXVCZPAOGOE-XOMICKMZSA-N 436.516 2.475 30 10 IEEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(C#N)cc1 1628340458 PDDOYVLVFUKUEE-UHFFFAOYSA-N 442.497 2.277 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)C2)c1 1634259811 HTFQHBAULRWBFB-UHFFFAOYSA-N 433.512 2.135 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC([C@@]4(C)COC(=O)N4)CC3)ccc2c1=O 1634965396 JYJLHSHYQCXFSZ-OAQYLSRUSA-N 428.514 2.222 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)C2=O)cc1 1639973613 GQAALNJNYBBYFO-GHTZIAJQSA-N 434.471 2.358 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@H]2O)c1 1640815891 XQDGHXDSKGJVKU-RTBURBONSA-N 436.917 2.211 30 10 IEEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(C)(C)CN1CCOCC1 1642527649 RJLWPVYVMAZFIS-FRIYVGAWSA-N 434.581 2.342 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)c1 1647941111 ACXFSYORJONPTK-QFIPXVFZSA-N 425.510 2.014 30 10 IEEE COC(=O)C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)C 1652672175 BZKHYRCTPKOYCP-KRWDZBQOSA-N 437.562 2.380 30 10 IEEE Cn1nccc1[C@H](O)C1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1654319288 XAOSZXNJOCIHSA-OAQYLSRUSA-N 434.462 2.352 30 10 IEEE CS(=O)(=O)C1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CCCCC1 1665069574 BCPBLZNRKDLFDF-UHFFFAOYSA-N 435.365 2.347 30 10 IEEE C=CCCSCCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1683853903 NDNUVGYNWNJNIA-HNNXBMFYSA-N 435.612 2.019 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1689893551 ZXBCXWUEVUPUEN-OALUTQOASA-N 449.621 2.431 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1689930473 SAEMPGVZAAERDM-OAQYLSRUSA-N 442.608 2.014 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689990250 NFYYBSYTLCLFGS-NVXWUHKLSA-N 449.602 2.214 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1690018140 VJVCJAZNPUHAKG-GOTSBHOMSA-N 433.556 2.237 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)CC(F)(F)F 1690019366 GPUDJUCPRONNRP-SFHVURJKSA-N 433.434 2.358 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)NC(C)(C)C)C1 1690688287 RXOVNSXWPHWIPR-VGOFRKELSA-N 435.569 2.016 30 10 IEEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cs1 1694600310 GYAFUWCFBZWMMK-HNNXBMFYSA-N 434.591 2.377 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1OC 1696913133 CKJURJZOULLIOK-KPFFTGBYSA-N 440.548 2.362 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1705491586 FMKSCYFUPUYHJP-DFQSSKMNSA-N 429.590 2.249 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705567892 BUGUUQNAGZXKTJ-LJQANCHMSA-N 430.574 2.415 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(C)COCCO1 1705595189 JPJPRDHVGVRTGK-XMMPIXPASA-N 430.512 2.399 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1705612040 XGDRPBHOSNRVQY-KRWDZBQOSA-N 436.516 2.497 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1705667490 MTPXMMNVWHFUEI-RUZDIDTESA-N 448.571 2.451 30 10 IEEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705810344 VPAHUCAYATXBPU-PGRDOPGGSA-N 432.569 2.231 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1705870970 SLQZTJITJLBKSK-ZWKOTPCHSA-N 432.546 2.067 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1705903177 QZEDPDVLSXPGJM-CVEARBPZSA-N 431.924 2.395 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1C[C@H](F)C1 1706608947 RUQQUOWRBSIVSP-SAZUREKKSA-N 427.484 2.089 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)N(C)c1ccccc1 1706848867 HTNQGNFHMURTIK-ULQDDVLXSA-N 433.582 2.152 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1708175397 FGXNCXANUYOROT-MEKIYTOJSA-N 438.576 2.381 30 10 IEEE CC[C@@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1708326906 HDXFIVHVONWUGA-HTAPYJJXSA-N 448.568 2.487 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1708515998 KEHPOHBNWZCOTA-APWZRJJASA-N 425.537 2.047 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CCO1 1709551532 IWLHHHXNPZNYSH-LJQANCHMSA-N 446.577 2.151 30 10 IEEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1710649119 WMQDCEBXFZVJOP-OWSLCNJRSA-N 448.568 2.435 30 10 IEEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cc1F 1711811058 FUPYTQMJQGIXEW-ZIAGYGMSSA-N 438.529 2.017 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1722287873 RLEMXBPBYFIAAB-MRXNPFEDSA-N 425.514 2.281 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722346891 BEMSPGOOWLBTDG-QGZVFWFLSA-N 429.956 2.006 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1722412945 FYZDRMIRSTWAAY-RTBURBONSA-N 446.596 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1NC(=O)CC1(C)C 1722427180 QOGUNOLNXJLJEW-GOSISDBHSA-N 431.487 2.148 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722593499 TUXKOAVQSIDPRZ-ULQDDVLXSA-N 426.583 2.228 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1722597015 PWGPRXGGLPFQMQ-AABGKKOBSA-N 441.557 2.269 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722600627 QZFFAXHEXIPCPY-IBGZPJMESA-N 437.548 2.011 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCCCC2)CCOC1 1722864238 PVXXMQVLVLJSJO-GCJKJVERSA-N 432.569 2.317 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1724188505 FSVIBKWOQZQQOS-FPOVZHCZSA-N 441.532 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1740650688 JVCJTGVFKZPNDQ-XMMPIXPASA-N 435.528 2.294 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CC1 1740685953 NMAGQBYTNJSHKK-QGZVFWFLSA-N 446.548 2.137 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2ccnc2C)CC1 1740697490 GMSSGUWMBJFWCN-UHFFFAOYSA-N 449.559 2.313 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1740704587 UBIZPQWSBQTXOZ-CTNGQTDRSA-N 434.544 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCC[C@H](C)C2)CC1 1740705208 CPYJTZNRXLGTPQ-PZJWPPBQSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(O)cc2)CC1 1740705379 GOUTZZKPXPHUNL-HXUWFJFHSA-N 437.544 2.086 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1)c1ccccc1 1740797684 SRKFJFHZTUZZTH-DEOSSOPVSA-N 438.576 2.431 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCOCC2)CC1 1740834214 NLUJTPTUWHMRRF-UHFFFAOYSA-N 439.564 2.440 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1occc1C 1740897796 UUQHFQKLPQOFTM-UHFFFAOYSA-N 426.477 2.350 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740955233 ZMKVFLGKTKBXLJ-GOSISDBHSA-N 432.488 2.194 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 1740987239 CWROLHQIAGQBTH-QGZVFWFLSA-N 433.578 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740990638 YFAXEVQRKGKTPH-INIZCTEOSA-N 445.549 2.025 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCC(F)F 1741477499 CIJBYEIVULGLND-HNNXBMFYSA-N 434.495 2.135 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCCN1CCOCC1 1747730919 OXTDPDGDBIEHRP-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1=O 1748046020 QDIFPHSAQBDZAG-OAQYLSRUSA-N 438.923 2.318 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCCCC1 1748855568 CQXPULAEQCKPLL-LJQANCHMSA-N 438.601 2.464 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1csc(COC)n1 1748915320 WMUSEZNIXVQPLW-UHFFFAOYSA-N 445.570 2.459 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1748993730 JRGRIXAWNCTATI-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749046536 AELXSDYCPXZSSC-NRFANRHFSA-N 431.537 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749128047 RDBDZNJUKFQGKG-QUCCMNQESA-N 441.580 2.355 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749249852 TXYITUCZMMKWGY-FQEVSTJZSA-N 449.342 2.473 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749454409 FDRYGJZKZVLGSG-UHFFFAOYSA-N 442.593 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749657748 CQDTVDOKWRSNQP-UHFFFAOYSA-N 442.527 2.143 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749663679 MSRJYZGQIISYMS-UHFFFAOYSA-N 427.459 2.180 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1 1749677765 JZYCXQSZJZNEFC-ZDUSSCGKSA-N 438.504 2.053 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1749706638 QPYJNFOOQAKKGD-GBESFXJTSA-N 441.580 2.404 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)C1 1749710637 ZJBCINQJCKQYPH-MOPGFXCFSA-N 425.533 2.286 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749727200 PRSOPZURWCCBPE-SFHVURJKSA-N 446.573 2.320 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCSC1 1749965063 AIUBWRBYYZKFLZ-CABCVRRESA-N 444.561 2.290 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1751095680 ZBDPJYKXDZCHKT-ZACQAIPSSA-N 426.512 2.266 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCCCCC1 1751209549 ADTLFWVGRJTZNM-MRXNPFEDSA-N 438.598 2.104 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1760111909 WMLKDFFXPXPRSY-DLBZAZTESA-N 438.532 2.184 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cn1 1760173693 AREZIQMCENRHLJ-KRWDZBQOSA-N 430.484 2.238 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 1760182372 JERUALLYHMUMHR-IBGZPJMESA-N 428.558 2.402 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184844 MQDKDRCLYBCZKG-LJQANCHMSA-N 443.573 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCS(=O)(=O)C1 1760223613 WKVCEDSQDVOSLS-IBGZPJMESA-N 440.569 2.317 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2csc([C@H](C)OC)n2)CC1 1760258714 BOSWGHGAFJBSNV-DLBZAZTESA-N 430.578 2.140 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1760464814 PWSZNNSVQCAAON-MJGOQNOKSA-N 433.578 2.114 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760468986 PSFKZEALNSYUEE-BDTNDASRSA-N 441.576 2.239 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnccn1 1760517102 CKWOWOCFFHCDHO-UHFFFAOYSA-N 442.321 2.436 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2)C1 1760526457 OYMYANLTSIWLOU-HXUWFJFHSA-N 435.532 2.020 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760527590 BMMNNTDSLWCCLW-UXHICEINSA-N 441.532 2.316 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)c1C 1761591590 PFOYXKQJDGGDAK-VQTJNVASSA-N 442.564 2.342 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1768343278 YPMICDLTKFRORX-UHFFFAOYSA-N 447.904 2.355 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)CC(F)(F)F 1768911870 QIZRMPNDZOWSKF-FQEVSTJZSA-N 447.465 2.170 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1769386977 FYUUKYWQRGZYBS-UTKZUKDTSA-N 427.530 2.074 30 10 IEEE COc1cc(C)c(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1OC 1769785674 BNILRLAEFQGKDZ-QZQOTICOSA-N 440.504 2.075 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2ccccn2)CCC1 1771222832 MVZPZPZJIMDMGV-ZWKOTPCHSA-N 426.521 2.248 30 10 IEEE COc1ccccc1N1C[C@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1850662813 NMOIMIRAKRIYSH-LJQANCHMSA-N 438.528 2.049 30 10 IEEE CCOc1ccc(O[C@H](C)C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1 1851216421 YELQPGBWSYFGSB-MRXNPFEDSA-N 434.500 2.381 30 10 IEEE COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3cnc4c(c3)c(C#N)cn4C)ccc21 1852127396 MKYBCNRLEHTPBH-UHFFFAOYSA-N 431.452 2.494 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)CCn2nnc3ccccc32)cc1 1852284219 RELUVEPNJMCAAP-FQEVSTJZSA-N 435.484 2.016 30 10 IEEE Cn1nc2c(cc1=O)C[C@@H](N(Cc1ccc(Cl)cc1)C(=O)c1cnc(C#N)nc1)CC2 1853481367 BHYURANUXNPPBT-SFHVURJKSA-N 434.887 2.295 30 10 IEEE C=CCN1CC[C@H](N2CCN(C(=O)C[C@H](OC)c3nc4ccccc4s3)C(=O)C2)C1 1853741106 HUDKMOISMRZCRZ-WMZOPIPTSA-N 428.558 2.305 30 10 IEEE C=CCN(CCCS(=O)(=O)NC(=S)c1ccc(Cl)cc1)[C@@H]1CCN(C)C1=O 1854772761 WYYREONWAYMJDF-MRXNPFEDSA-N 429.995 2.044 30 10 IEEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2(C)C)c1 1854782041 HUKMKJUQIDLUJU-UHFFFAOYSA-N 425.510 2.460 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccncc3)cc2)c1 1858669527 JSGXJAAGHNUGLV-UHFFFAOYSA-N 435.465 2.394 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@@H]3CCCO3)c(C)cc2=O)nc1C 1870088068 LZCSUFGWVVVZBH-HNNXBMFYSA-N 447.513 2.461 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060624833 COGGJIGOPVFPLB-DLBZAZTESA-N 432.326 2.464 30 10 IEEE COCCO[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172781042 YJYJJWBDOYHKBX-AWEZNQCLSA-N 427.148 2.385 30 10 IEEE Cn1ncc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1I 2247678049 KDLDTRDRZJDHMY-UHFFFAOYSA-N 426.067 2.463 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247906917 SDDCIUWWCLSTQG-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)C1 2255191060 BGUXYRMQKNANAT-FMQWRWPZSA-N 440.588 2.226 30 10 IEEE CC1(C)OB([C@H]2C[C@@H]2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2255594902 FWQAEOPXNQBCNU-ROUUACIJSA-N 427.354 2.105 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255694704 SALAVXMYJXJHRM-KRWDZBQOSA-N 429.326 2.286 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267184984 YVPFRURWAKUDMR-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE Cn1nc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267197690 NJNGWFZBVAAGDP-SHTZXODSSA-N 448.373 2.285 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267243344 VEOUGZUQFXTRTE-ROUUACIJSA-N 446.353 2.004 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267492437 SFFLYZARFFDOSS-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2267535257 UOEZZHSGHDSXLP-QZTJIDSGSA-N 436.365 2.062 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267587248 VGKVSYWZRUTQKV-UWWQBHOKSA-N 443.353 2.366 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2267600832 MSRZWEGHZBGIGC-IQMFZBJNSA-N 445.369 2.454 30 10 IEEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCC1 2267874077 WHIVVILMZUVTCK-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881808 KZOOWQGZKIJEGR-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268649512 DFQOGZJVVGMBFJ-JKSUJKDBSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2319677251 MUTWDRUSQHCNQB-XOBRGWDASA-N 442.337 2.391 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(O)c2)cc1 2328565954 KWDPJBTZSUKUJB-UHFFFAOYSA-N 441.513 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263288 XWOYQEBYUQGQTB-WMHQRMGPSA-N 446.357 2.131 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335442673 INGJXRINVDARAF-HZPDHXFCSA-N 445.379 2.327 30 10 IEEE C=CCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 6328138 CAUOYNXLSCQVIT-UHFFFAOYSA-N 438.509 2.234 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)o3)n2N)c(OC)c1 21321275 IERJRLOPTMLNIP-AWQFTUOYSA-N 431.478 2.087 30 10 IEEE COc1ccc(OC)c([C@@H]2c3c(nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72444814 MMFOTZLHKTXSIL-FAELENHSSA-N 437.500 2.493 30 10 IEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)cnn3-c3ccccn3)CC2=O)cc1 170525983 WCWFKINBFKAQSB-INIZCTEOSA-N 444.451 2.307 30 10 IEEE C[C@H](CNC(=O)c1cc(Br)ccc1I)/C(N)=N/O 235442404 NTQUSDSCXKQIPY-ZCFIWIBFSA-N 426.052 2.166 30 10 IEEE O=C(Cc1cccs1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 254701025 OYWBCXJSNRFLAO-CZUORRHYSA-N 436.536 2.321 30 10 IEEE C=CCN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1nc(C(=O)OCC)cs1 409819386 ZPFRCSNKAWNEGJ-UHFFFAOYSA-N 435.527 2.475 30 10 IEEE C=CCn1c(S[C@H](C)[C@@H](C)O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 445589266 RGAWHUTUFKYEIZ-HUUCEWRRSA-N 438.575 2.013 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)CC2)c1C#N 461193512 NZEQTZDUPZHGQJ-KRWDZBQOSA-N 429.571 2.267 30 10 IEEE CCOc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1Cl 485810074 BQOUVRJCHDGCQO-UHFFFAOYSA-N 434.905 2.152 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 508718328 SWRWJZYDDNFONU-QGZVFWFLSA-N 430.578 2.271 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](O)(C(F)(F)F)C1 508955058 ZPCLTDBQACFESI-QGZVFWFLSA-N 444.483 2.318 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)ccc1Cl 520833966 PAWKJPBABSVILP-QGZVFWFLSA-N 446.960 2.387 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)CC1 524465868 GEXDNJLMVAEYLB-UHFFFAOYSA-N 430.549 2.146 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)N1CCN(c2ccc(Br)cn2)CC1 524493033 DKYGMRDQXNTXLG-UHFFFAOYSA-N 431.290 2.452 30 10 IEEE CN(C)C(=O)CCN1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 526974439 VMVBYVUBVJMEHZ-UHFFFAOYSA-N 427.549 2.054 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCS(=O)(=O)[C@H](C)C2)cc1 545193893 UCYRLTIJBGNPHL-CQSZACIVSA-N 430.530 2.032 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccc(S(=O)(=O)N(C)C)cc4)no3)cc2C1=O 547065993 FIIDXEKNKDDWPP-UHFFFAOYSA-N 438.465 2.436 30 10 IEEE C=CCOc1ccccc1CNC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 572671712 SODVMCCZUMULIM-UHFFFAOYSA-N 425.485 2.190 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC#N)c1ccccc1 588900667 DZXPMCUJNKMDEP-UHFFFAOYSA-N 442.541 2.192 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cc1 589456669 TVPZWHJZXVAYBJ-SFHVURJKSA-N 431.539 2.305 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2C#N)c1=O 604000118 OKDWVARZIJARNS-UHFFFAOYSA-N 446.557 2.266 30 10 IEEE COc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)NCc1ccccn1 611101546 FTBDDBKMTYDZFL-HNNXBMFYSA-N 428.514 2.333 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(C)c1 685545422 CBZXGMYBWMZSGM-OALUTQOASA-N 431.562 2.447 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727814555 HTARUXBIZNCXLW-UHFFFAOYSA-N 427.551 2.226 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671911 ZZOSMYMFRMVYRA-UHFFFAOYSA-N 438.553 2.102 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)C1CCN(c2ccc3nnnn3n2)CC1 735341843 QTUOAMSNAIABFQ-UHFFFAOYSA-N 427.852 2.035 30 10 IEEE CCn1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c1 753065321 FPQNQBSZZKGLEX-HEHNFIMWSA-N 439.563 2.297 30 10 IEEE C[C@H](Oc1cccc(CO)c1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 754402335 IFCUYMPLROAQNM-OZZWHHLJSA-N 431.514 2.398 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757442869 BDDZTDODVHWVCW-FSSWDIPSSA-N 448.475 2.133 30 10 IEEE COCCN(Cc1ccc(Br)s1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 757645552 OPKGOBKQPWKYPE-MSUUIHNZSA-N 442.335 2.402 30 10 IEEE N#CCOc1cccc(CC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 760624542 AEKAPNPYCMBRCT-UHFFFAOYSA-N 435.480 2.096 30 10 IEEE CCC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)C1 761847595 BAGPRLYCUYLYJD-IRXDYDNUSA-N 432.521 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N(CC(=O)O)S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 772205499 WJWCDGMGMPAFLJ-ZDUSSCGKSA-N 443.909 2.296 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NS(=O)(=O)c1cccc(C#N)c1 778287832 DYHWCPVWTHXMJF-FQEVSTJZSA-N 425.510 2.363 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 779420812 ZKVMOIMKGVWCNC-DBVUQKKJSA-N 439.528 2.321 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cc1 780993910 AKEYBRWWSPVJBP-HXUWFJFHSA-N 431.489 2.090 30 10 IEEE COc1ccc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1-n1cnnn1 781779169 CZKLPPJFCIXQOO-DBWCEAHUSA-N 426.477 2.147 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)n1 782842453 RAEAMLSCEVPVEH-QGZVFWFLSA-N 428.861 2.066 30 10 IEEE Cc1cccc([C@@H]2CC(=O)N(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)c1 783977564 YJKGJJNGLRGHNS-OAQYLSRUSA-N 438.553 2.147 30 10 IEEE CC(C)(C#N)CS(=O)(=O)NC(=O)c1ccc2cc(I)ccc2n1 796811487 JKXFSLHHASFJIM-UHFFFAOYSA-N 443.266 2.449 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(Br)cc2)N(CCF)C1=O 797817830 ITMFGKOXGWYRSY-AWEZNQCLSA-N 445.358 2.418 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812387656 POJXFIHIIDDQAD-ZACQAIPSSA-N 434.541 2.219 30 10 IEEE COc1ccncc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 814212725 WFSXFVJOXBWSRR-QGZVFWFLSA-N 447.586 2.351 30 10 IEEE C=CCN(C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)[C@H](Cc1ccccc1)C(=O)OCC 1128110924 GSZWCIVINZBCAD-PZJWPPBQSA-N 438.528 2.352 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc([C@@]4(C)NC(=O)N(C)C4=O)cc3)CC2)o1 1130435349 JPKUWAFZRSNDMK-JOCHJYFZSA-N 436.472 2.107 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)CC1 1137371192 HMSXAMHIURYHDY-WMHRWZGDSA-N 428.920 2.319 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1141017343 HRUMCGLYCWVAGD-HXUWFJFHSA-N 439.537 2.468 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1154555407 ATNXONFPSGSKMC-DLBZAZTESA-N 447.598 2.498 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cc(C(=O)OCC)cn3)CC2)cc1 1158589231 CVTJXWYWOMLNHI-UHFFFAOYSA-N 446.529 2.001 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2cc(F)ccc2Br)n1 1189896682 LRUFKZABTYEGKU-UHFFFAOYSA-N 444.326 2.396 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 1264289711 DVSDWKBTHKRJMR-RBUKOAKNSA-N 428.514 2.190 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 1265896997 ABKOJRZYWAKNFC-MRXNPFEDSA-N 432.502 2.130 30 10 IEEE CNC(=O)[C@@H](CNC(=O)CCc1c(C)nc(O)c(C#N)c1C)Cc1ccc(F)cc1C 1277221531 IYOLKAUHAHOWFL-QGZVFWFLSA-N 426.492 2.377 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCSC1 1286400382 DWNOQOZQGPTYOR-QGZVFWFLSA-N 442.614 2.373 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)CC 1286439010 JZMAFPUAYBQLIW-UHFFFAOYSA-N 446.396 2.168 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H]2CCOC2)CC1 1286491110 FQWMYSALEHDYJV-LJQANCHMSA-N 439.535 2.400 30 10 IEEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1286685675 YXCWMYCULUBXAG-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1286723075 YUCDLCZHYLXVFY-SSEXGKCCSA-N 426.546 2.208 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1286746263 UANVLUDTVFKHFR-FQEVSTJZSA-N 429.590 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1286819910 ZFQYIIVKQPFANK-LJQANCHMSA-N 432.546 2.343 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCc3ccncc3)CC2)c1C#N 1290576346 CYFAJNMAWHSHPZ-UHFFFAOYSA-N 433.564 2.355 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccc(C#N)cc2C1 1299940473 MLSHWHOMKOTWIS-HXUWFJFHSA-N 441.509 2.130 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 1300043296 MAQAFOFELFCJSU-SWLSCSKDSA-N 433.452 2.122 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300267208 GDHDTROYQVJIKC-CTNGQTDRSA-N 438.576 2.256 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N[C@@H](C)c1ccccc1 1300271012 GAYBDDPORGTMGM-BZSNNMDCSA-N 446.621 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1 1300271702 JMJZYDOQLYOLQO-DBXLBAIQSA-N 445.951 2.249 30 10 IEEE C#CCCCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300377280 UXIOPJKDAAJENJ-QHCPKHFHSA-N 431.581 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C(C)C)N1CCOCC1 1300439996 OLESUCJTMMEOGI-NRFANRHFSA-N 427.549 2.389 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300484001 NOOFPFRUZXUBRY-SJORKVTESA-N 440.635 2.331 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300499665 VYNMJFPECOXMDD-MSOLQXFVSA-N 446.573 2.191 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1300807795 QLHSOPFGEDCPFU-JOCHJYFZSA-N 440.573 2.282 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301483679 UCBRESWLKZMCNR-IRXDYDNUSA-N 441.532 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301492657 MLTGMRZMIMXCHZ-ROUUACIJSA-N 441.532 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnc(C)s1 1301589105 NIJZAGYMHZRURU-OAHLLOKOSA-N 425.580 2.174 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)nc1 1303899704 QQXWXDJCQKUOQT-CYBMUJFWSA-N 432.278 2.142 30 10 IEEE CC[C@@H]1CCCCN1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1306324047 OCGRPTIINHYUQX-VIZSFHNOSA-N 446.596 2.312 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCCOCC2)CC1 1313954974 RCGIXBCFJPSKCC-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)(F)F)CCN2C1=O 1314922283 GMOHUIVNZGYEDL-INIZCTEOSA-N 449.437 2.299 30 10 IEEE CNC(=O)c1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)c1 1314983688 REXVVNQSOALTCI-QGZVFWFLSA-N 437.891 2.130 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358954359 FUBJTMDVHKEPAF-WNRNVDISSA-N 431.537 2.223 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1358983481 JTTJYBKFPALTFO-FHWLQOOXSA-N 445.564 2.236 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1358985909 JSMHYOWWVHIWIE-RDPSFJRHSA-N 436.560 2.476 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(OC)C1 1359052969 WRLGPTOTZGXGQY-OAQYLSRUSA-N 438.561 2.293 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(CC)C(=O)C1 1359091777 RTKDQMZKXYHATQ-BJLQDIEVSA-N 435.569 2.042 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCCCO1 1359296441 JIJXHZBMCOZWNU-QGZVFWFLSA-N 427.505 2.024 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(C)c2C)C1 1359323946 ABCBIGFBLHEJGZ-KRWDZBQOSA-N 441.561 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCOCC2(CC2)C1 1359330258 MDGITZHGASOADB-UHFFFAOYSA-N 432.546 2.171 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1361255763 PFJDFJSKSOBJKL-XOMICKMZSA-N 440.504 2.236 30 10 IEEE Cc1nc(=NC(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 1456838926 SVQYJKVJMAQWOS-AEFFLSMTSA-N 425.489 2.335 30 10 IEEE C#C[C@@H]1COCCN1C(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 1469135094 FISUTDLBAREDAA-RTWAWAEBSA-N 441.553 2.367 30 10 IEEE N#Cc1cncc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)c1 1471965698 ALNNJEHNJGGRRT-UHFFFAOYSA-N 449.330 2.430 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C 1502251197 HOAVTCXEHCEMAN-LNLFQRSKSA-N 442.589 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1507539052 QRXDNRPMULLUAR-OCCSQVGLSA-N 426.464 2.298 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 1507596420 JIFPZHINIVDERX-HKUYNNGSSA-N 428.512 2.276 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1507682473 PHACBCQBCHPKOI-UHFFFAOYSA-N 446.396 2.120 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507841411 ZDLWSPIVWVJHOH-UHFFFAOYSA-N 444.555 2.324 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1507916951 IIHNRGVQLWDFIV-MRXNPFEDSA-N 448.568 2.125 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1Cc2ccccc2O[C@H](C)C1 1508072655 HLCVAMAVAIUPLM-IAGOWNOFSA-N 429.521 2.092 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508166588 BNSJBKCCORXLBJ-UTKZUKDTSA-N 435.594 2.094 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1511886298 QUBBUVCYDXPJCO-OAHLLOKOSA-N 426.525 2.093 30 10 IEEE CCn1cc(CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1515771041 BDNKIQKGBUITRG-FMQUCBEESA-N 440.552 2.246 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OC(F)F)c1 1539163072 ZROKAMBGZTVZJN-UHFFFAOYSA-N 437.414 2.035 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539520015 MUWHOYICWMRDSE-QGZVFWFLSA-N 439.651 2.237 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1540160799 BDCHKEJVIFZOCL-PKOBYXMFSA-N 445.593 2.061 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1540853293 WFEUXEWOKOWVJV-UHFFFAOYSA-N 449.353 2.245 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(N)=O)C1 1540863323 UDSOZDKGBOLKBX-HXOBKFHXSA-N 440.548 2.039 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)[C@H](OC)C1 1540867508 YQZIAJKYAOPLCL-HNAYVOBHSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1540873761 IURDOACGJAHWHR-UHFFFAOYSA-N 436.560 2.194 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)C1 1540892375 KQFTUDHLPRMUBB-QZTJIDSGSA-N 434.537 2.343 30 10 IEEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1541539792 ATWRKWFPRMZYDM-GOSISDBHSA-N 446.577 2.245 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N2CCOCC2)c1 1542268701 DVQRPDCLBIXYHZ-IBGZPJMESA-N 440.548 2.461 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1543136687 BNWCSYILBHVARZ-MRXNPFEDSA-N 445.277 2.357 30 10 IEEE COC(=O)CCN(C[C@H]1CCCO1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1543789674 QDTCEBBSISKUAO-SRXHXZOOSA-N 449.548 2.344 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1544791376 BPKOTDWGYAFCDH-INIZCTEOSA-N 433.509 2.292 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1547701945 NCMLCJQFVXFILD-ZRCGQRJVSA-N 429.613 2.328 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)C1 1554531825 QRDMKNYQHCIGMP-QUCCMNQESA-N 439.516 2.259 30 10 IEEE COCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555472186 RGRJQKCVXDPFJE-MJGOQNOKSA-N 440.552 2.323 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1555620881 VXJJCFOELKJDMN-FKIWZOAZSA-N 446.552 2.011 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)C(=O)OC 1568154795 RSKCSJAZHRPUTL-IAGOWNOFSA-N 425.323 2.446 30 10 IEEE Cc1cc2c(CCNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c[nH]c2cc1F 1586152998 SPYCZWLLUZIBAE-UHFFFAOYSA-N 428.489 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1587562385 ONLQDPNRDKYDPF-KKUMJFAQSA-N 439.969 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1588045432 KNNXTCGJXKURLP-INIZCTEOSA-N 438.500 2.162 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1ccc(NC(C)=O)nc1 1588166241 AXCZHNJZEJLCIV-UHFFFAOYSA-N 444.495 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2ccnc2C)CC1 1588908312 OLYSSSXIGVDOSG-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCn2nc(C)cc2C)CC1 1588914117 XDOHRNURAPKTIE-UHFFFAOYSA-N 446.559 2.210 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C)c(OC)c2)CC1 1588969031 UTNFOYKWHQZBJO-UHFFFAOYSA-N 425.533 2.146 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1589150824 LWNHCQIMDCNCAT-HRAATJIYSA-N 447.609 2.090 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1589163008 HCTVFPTUUZVUDZ-RPWUZVMVSA-N 445.608 2.422 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1589559777 UQACYCBHXHOQPZ-DYESRHJHSA-N 445.589 2.259 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(S(C)(=O)=O)CC1 1594788935 VQODSTCPDPEGGS-UHFFFAOYSA-N 449.533 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595501004 IWVCRCLIIJSUCS-GOSISDBHSA-N 438.532 2.186 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1595577408 RNKCNZUDXUHZNL-RTBURBONSA-N 425.533 2.331 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C1 1595698091 GHMUZFGHKVDFJR-UHFFFAOYSA-N 428.510 2.131 30 10 IEEE CCCCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1611655877 VSHAJLVQZOTFGV-UHFFFAOYSA-N 439.578 2.406 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)C1 1619722815 BGMDHTJMIMVAPI-SVFBPWRDSA-N 441.532 2.253 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1620346632 FCXGXRQQVNWEJU-HTAPYJJXSA-N 442.495 2.140 30 10 IEEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1624532293 CWVKYWTXPDVEFJ-GGAORHGYSA-N 432.524 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 1624669719 VZGKPSVZVSXMRY-XMMPIXPASA-N 442.560 2.355 30 10 IEEE N#CC[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 1628340867 XFIDGNFSIPDFCN-IBGZPJMESA-N 428.470 2.125 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 1632437092 UCRUXRKPERDRNZ-ZLIFDBKOSA-N 430.306 2.350 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)N2CC(O)(CC#N)C2)CCN(Cc2ccccc2)CC1 1633250480 NVRRBQMJDOFPQB-UHFFFAOYSA-N 442.560 2.423 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCc2nnnn2CC1)[C@H]1CCOc2ccc(Br)cc21 1636270992 DOLUREHAIWVURG-ZBFHGGJFSA-N 445.321 2.309 30 10 IEEE N#Cc1cn(CCC(=O)Nc2nc3c(Br)cc(F)cc3s2)c(=O)nc1O 1636999236 AVDXFKLQVOWGHP-UHFFFAOYSA-N 438.238 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)c1ccccc1Br 1637465644 ZRRFJAPODZTUTB-CHWSQXEVSA-N 428.283 2.121 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1638532610 JFIYQGCCMFPURB-SJLPKXTDSA-N 428.537 2.288 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)c(Cl)o3)CC2)c(Cl)c1 1639699105 WYOZFFIWWVMLHF-UHFFFAOYSA-N 429.285 2.068 30 10 IEEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1645693104 MFNSPOHEWCEWGX-MJGOQNOKSA-N 437.562 2.132 30 10 IEEE O=Cc1ccc(OCCn2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)nn2)c(Cl)c1 1652925489 BFFAMXZWARLSBX-UHFFFAOYSA-N 444.875 2.301 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1654001485 HDMPJSJKMZEUFI-HXUWFJFHSA-N 439.581 2.408 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOc3cc(Br)ccc3C2)CC1 1655178719 UDVQHJINMSRSEH-SFHVURJKSA-N 435.366 2.336 30 10 IEEE CC[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1cccc(OC)c1OC 1655378400 AJNBHVFVSBGPKY-KRWDZBQOSA-N 427.505 2.261 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(F)c1 1660421046 CXLYXXVDYPYFDB-UHFFFAOYSA-N 431.489 2.381 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc1Br 1661647135 CBBYNNSUOMTSSC-OAHLLOKOSA-N 425.308 2.178 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1689886867 JHOQOYSBBDELGW-MRXNPFEDSA-N 435.532 2.179 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689895387 RZVGQBOLTALUCY-LJQANCHMSA-N 433.553 2.330 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689989497 GCOVAKJQELAOIE-HXUWFJFHSA-N 427.574 2.309 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1689993461 DYSQERCCINNVJH-FHWLQOOXSA-N 431.537 2.029 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1689997279 ZHPCKHMTJHCHCO-HNNXBMFYSA-N 437.591 2.070 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@](C)(O)CCOC)CC1 1690113408 IWXVAKQSSMJCNN-DEOSSOPVSA-N 437.588 2.291 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690408334 FJCILJJPERTQKV-SFHVURJKSA-N 433.507 2.494 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690428276 KYYGLQLYGYYDEC-JOCHJYFZSA-N 440.552 2.095 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690488515 PSEIOTAZQLBHLG-INIZCTEOSA-N 429.550 2.073 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1)C1CC1 1690536659 CPNLEUTZEIMKBW-XOBRGWDASA-N 437.541 2.090 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(F)(F)F 1690723865 CEHCKRCWCHKFDR-HNNXBMFYSA-N 446.451 2.390 30 10 IEEE CC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1693923746 UXTYPCOAXLNIKV-XMSQKQJNSA-N 425.537 2.274 30 10 IEEE CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1695471130 CCSKINFIOKYHRN-GOEBONIOSA-N 428.562 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705599374 YCSZIMMPSWTOJU-GOTSBHOMSA-N 446.599 2.456 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCNC(=O)C2CCC2)CC1 1705647619 HXAXNKWFMOPJEL-UHFFFAOYSA-N 442.608 2.139 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705658093 CPEVFZQNVXDLOR-SFHVURJKSA-N 426.590 2.396 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705740341 INUVVXLNROIQOV-VAMGGRTRSA-N 449.596 2.131 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705810932 LWXQAAJBHWQRGS-SFHVURJKSA-N 425.537 2.193 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2oncc2C1)C(C)C 1705866831 AUYAKPURLPJZLS-MOPGFXCFSA-N 439.564 2.479 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1705883889 ZSERUVZDTXMYSM-QGZVFWFLSA-N 436.516 2.176 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1706057402 JSWGDBIIAKRQCE-IBGZPJMESA-N 434.504 2.418 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1706144132 DYDSCJRDTPDXJT-QGZVFWFLSA-N 431.562 2.459 30 10 IEEE Cc1cccc(-c2nnc(N3CCSC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1707603560 CGMRSHHLSICVDF-MEUCICPISA-N 439.545 2.117 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCn1c(O)nc2ccccc21 1712625082 OLBLZZSCTLODAL-GJYPPUQNSA-N 439.520 2.353 30 10 IEEE CS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1712712159 BCPTWNPHACAZEY-UXHICEINSA-N 442.589 2.304 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722340138 OFCURCMTZQTMER-HXUWFJFHSA-N 445.589 2.405 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@@H]1OC 1722357360 AKMVUMKVPKFQGW-BDXSIMOUSA-N 433.553 2.170 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722380060 VIIVITGNPKRUAV-KRWDZBQOSA-N 437.525 2.046 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OC)CCC(C)CC2)CC1 1722433059 KFUDLLXZKLBEJB-BOYUCYPVSA-N 445.608 2.281 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722465417 LUZSBNGHZDOBFL-SFHVURJKSA-N 441.557 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1722504699 OPFQJBOBFDJYNE-YRNRMSPPSA-N 429.496 2.289 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2CCOC[C@H]2C1)c1ccccc1 1722539534 SFXIHJUAOKXYOB-TZIWHRDSSA-N 427.549 2.236 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722628249 UZESIKYDKPAKBG-IRXDYDNUSA-N 445.593 2.162 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@H](C)C1 1722632546 XYQZFBZKEKSFIL-GOSISDBHSA-N 447.605 2.472 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1722658321 WBQSFQPUMZFVHE-OALUTQOASA-N 443.573 2.247 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1722661409 DSEFMDDLNJKONW-CQSZACIVSA-N 449.606 2.233 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1722697249 YCBNGKJYAKYLRJ-UHFFFAOYSA-N 445.527 2.497 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722851811 UFFOPUWQBZJAJE-HNNXBMFYSA-N 449.481 2.416 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1722869239 HFRKDTCJVYUDQS-RDJZCZTQSA-N 445.568 2.472 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cnnn1 1722959554 UIXSCBIOFVLNIZ-IBGZPJMESA-N 435.536 2.393 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723019477 XQACPPLJMKLSPX-UHFFFAOYSA-N 444.561 2.294 30 10 IEEE CNC(=O)c1cccc(CCn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)c1 1729652557 SICBMERZXJSPLQ-HNNXBMFYSA-N 449.515 2.346 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1=O 1730786698 PRMJQEQITKJPFO-UAPYVXQJSA-N 426.496 2.250 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)C2CC2)c1 1740563930 ZXQNSKAUXBCXIS-HXUWFJFHSA-N 433.516 2.160 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740570618 GOXQRSRXZYPCPQ-NRFANRHFSA-N 441.624 2.028 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740622402 CNHQFRDQPVEECO-ICSRJNTNSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(F)(F)F)cc1 1740640408 MQOOSRLQJKJVBT-INIZCTEOSA-N 436.459 2.320 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1740724752 IGLPAAWLLHFZSC-IIBYNOLFSA-N 431.562 2.075 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1740888505 UDLSUIPCUFZOQR-UHFFFAOYSA-N 438.576 2.145 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740987720 XYGVYGUWXDASSN-DLBZAZTESA-N 425.599 2.086 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1741695193 MEUBYIYFRWZXAB-IBGZPJMESA-N 436.472 2.264 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)n[nH]1 1742602455 XUSGNNCJJMPIGB-NSHDSACASA-N 432.330 2.311 30 10 IEEE CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1743451779 JVKNTLHCKBZNNC-HSZRJFAPSA-N 448.531 2.103 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1745883359 HECBBUBORRTFIY-UHFFFAOYSA-N 426.912 2.318 30 10 IEEE CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1745908585 YXBPNMSJCHFUKZ-MOPGFXCFSA-N 428.562 2.477 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1746335549 GCKMLUANDUUQNL-UHFFFAOYSA-N 434.909 2.377 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)CC1 1748734408 GJJKZRPQVYDPRT-UHFFFAOYSA-N 435.370 2.228 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805423 ROQCVTDOGXOLNB-MJGOQNOKSA-N 443.573 2.447 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1748809894 QFOKMIYJCCECMI-SFHVURJKSA-N 439.541 2.479 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCC[C@H]1C 1748960347 IFNFLGCJIRTAOQ-GOSISDBHSA-N 442.564 2.356 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1748986970 NXCDWWGXRBCIEX-JOCHJYFZSA-N 432.576 2.045 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749039226 QWDKMOYIIXEWDR-MOPGFXCFSA-N 429.594 2.273 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749106124 YHNGALATIRLSBH-GOSISDBHSA-N 433.310 2.203 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749196183 FUKCKFXZKRGCKJ-HXUWFJFHSA-N 438.532 2.220 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749219782 SDXZXAYNFPEPHM-UHFFFAOYSA-N 433.578 2.398 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCn1cnc2ccccc21 1751193386 BBBPEWJWKWADGX-HOTGVXAUSA-N 444.565 2.067 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752006341 VEAIRHPAIXGJDC-JZRSTAGNSA-N 435.532 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOC2=O)cc1 1760097765 JTLKYIKZKAOHFB-IRXDYDNUSA-N 427.505 2.465 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1 1760148119 PBHFKIPQQMUEFI-UHFFFAOYSA-N 431.338 2.271 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1760190742 YFHPLLFTBSCYQS-SJLPKXTDSA-N 431.587 2.110 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760200953 YDSMNFNJXDWJHK-UHFFFAOYSA-N 428.500 2.386 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760261933 XDGMXOJMAISQSZ-QHCPKHFHSA-N 446.603 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCCC2)CC1 1760269477 JCVBHBUCDXTCGU-OAQYLSRUSA-N 442.608 2.362 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSCC1 1760281165 ZJRXBNSLXROBRE-UHFFFAOYSA-N 436.632 2.158 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760350649 OOICXBUIVYYQLO-IBGZPJMESA-N 449.353 2.345 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760364764 BNJSLKCGDRPFFZ-CQSZACIVSA-N 435.916 2.351 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760525854 USVIGSATNOBYHD-HRAATJIYSA-N 431.562 2.007 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 1760542989 PGTJKJQOBFXVRL-VQTJNVASSA-N 425.533 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760553442 CLIMZFNOPALBSV-MJGOQNOKSA-N 431.562 2.255 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1766932338 JZNDXBKIRBTSHX-HXUWFJFHSA-N 448.575 2.197 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1770103815 BEOGAPDLSWNROK-UGKGYDQZSA-N 443.573 2.317 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCc2ccccc21 1771111296 GGCMIMBXJQASBT-SFHVURJKSA-N 434.548 2.496 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1772787704 ANYSWTNAXLVYQI-GFCCVEGCSA-N 440.886 2.309 30 10 IEEE COCc1c(C(=O)N2CCC(N3CCC(C#N)CC3)CC2)nnn1-c1ccc(F)cc1 1850718301 LMQYBHXMHXWLTM-UHFFFAOYSA-N 426.496 2.393 30 10 IEEE Cc1c(C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)cnc(N(C)C)c1Br 1852478331 ISRQOVUWVGSGLH-CYBMUJFWSA-N 432.278 2.462 30 10 IEEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1853747470 VTPQRJHBOXBJDM-FQEVSTJZSA-N 431.558 2.302 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCSc2ccc(OC)cc2)C1=O 1854219890 UNLIOXKMDDJOBR-RBUKOAKNSA-N 431.558 2.024 30 10 IEEE CC(C)Oc1ccc(N(C)S(=O)(=O)CCNS(=O)(=O)c2ccccc2C#N)cc1 1858018955 SDSVGALGTVOUAI-UHFFFAOYSA-N 437.543 2.090 30 10 IEEE CCCCCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc(=O)n(CC)c1 1861231615 DQTMRQVDJHHHKJ-LJQANCHMSA-N 434.581 2.489 30 10 IEEE CCCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cccn(CC(C)C)c1=O 1861287447 VSQCUVSNIPSLOL-LJQANCHMSA-N 434.581 2.345 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C1CCN(C(=O)C(F)(F)F)CC1 1869066424 YPEQMZROLDPEJS-HNNXBMFYSA-N 435.512 2.226 30 10 IEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1F 1870150476 CZHOCOOGLPRXDM-CQSZACIVSA-N 448.414 2.276 30 10 IEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1871007306 VNYRIORPWQMLFK-UHFFFAOYSA-N 441.528 2.212 30 10 IEEE COc1cc2c(/C=N/n3c(S)nnc(C(C)(C)C)c3=O)c(C(=O)O)n(C)c2cc1OC 1873494973 JEHHMNGHBWPAJY-ZVBGSRNCSA-N 445.501 2.314 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993231405 OFRWYPAQKCCHES-LSDHHAIUSA-N 425.526 2.039 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060626428 WZJZYUIMSXIQPN-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@H](O)C1(C)C 2073264280 RTEYBQMSMBJYTL-IMWIBFENSA-N 442.560 2.277 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C(=O)O)C1 2106601476 XREKHWPBZMYCCA-GOSISDBHSA-N 446.353 2.492 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677234 DRFAZMZJXDLLBO-HZPDHXFCSA-N 447.341 2.249 30 10 IEEE C=C(CS(=O)(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)B1OC(C)(C)C(C)(C)O1 2247901401 KCZLEMFHHMITBL-HZPDHXFCSA-N 442.387 2.206 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2247906895 RWSUKKNTJHBDHO-UHFFFAOYSA-N 437.371 2.245 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2254794584 CLOZPMFWQSHOCZ-UHFFFAOYSA-N 433.358 2.237 30 10 IEEE Cc1cnc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255613239 XUZWYKOIDFTXRG-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2255873491 KZACJXYIBIFZNV-QFIPXVFZSA-N 433.358 2.454 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2259933920 PUFKGTLGHYPRLQ-ASSNKEHSSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CCC2 2267138055 UWJFMPDZFZIXQT-OAHLLOKOSA-N 446.357 2.371 30 10 IEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267138366 UPFXKOWZDUCOIN-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267173463 LDIJLJMFNMAXPS-XLIONFOSSA-N 436.365 2.416 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267192534 SAKAUEWBRYAEKU-ZBFHGGJFSA-N 448.373 2.143 30 10 IEEE CCN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267503659 HFDRTYJAUOJNHO-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267550518 ANQYSYYKIVECAO-STQMWFEESA-N 444.259 2.498 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268690095 JSRIWCKTSCJNOV-HOTGVXAUSA-N 447.341 2.249 30 10 IEEE C=CC[C@]1(CN)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2287794721 WQPOHJPCAVDFBC-JOCHJYFZSA-N 433.574 2.256 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccco1 2296091560 UHOHETUAPRQXIK-IBGZPJMESA-N 441.440 2.332 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303624015 JRNJZZXUKFTVKI-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE COc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)c(OC)c1 2329322851 XOBLHHAMIQSRPQ-UHFFFAOYSA-N 441.513 2.472 30 10 IEEE C=CCn1c(N/N=C/C(Br)=C\c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 33906712 PTXBFMRCYXDVBY-CONBCKQJSA-N 443.305 2.453 30 10 IEEE Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)o1 170402398 FPMJWGVLGJYJOL-GOSISDBHSA-N 439.449 2.413 30 10 IEEE COCCNC(=O)c1c(N)n(N=Cc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 254571165 RRUKQPBGKSZXRN-UHFFFAOYSA-N 448.483 2.442 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 435441086 CULJQEUQYNOYJO-KRWDZBQOSA-N 439.946 2.494 30 10 IEEE CC(C)c1nnc2n1CCN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)[C@@H]2C 439269034 DNKVXTQGPSLDCW-SJORKVTESA-N 427.578 2.249 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(C2CC2)nc(SC)c1C#N 439950403 ZZDDVEWWWVQDSU-NCOADZHNSA-N 429.498 2.118 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(C(=O)NC)cc1 444225074 PHASHHFPLLSQCV-FQEVSTJZSA-N 430.526 2.397 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1 479046278 NTVIMEPJWTYMMS-FOIQADDNSA-N 427.526 2.481 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 480217494 BHKYFNIMTHHAOR-ZDUSSCGKSA-N 426.473 2.430 30 10 IEEE CCCOc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 480304298 HXKMRLSOWRJUHG-OAHLLOKOSA-N 431.514 2.339 30 10 IEEE COc1ccccc1N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481221297 VNQZHZVZJKUBFH-MRXNPFEDSA-N 442.541 2.019 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc3c2OCCC3=O)CC1 506981893 FALVBYBPUYBEMQ-UHFFFAOYSA-N 440.481 2.062 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2cccc(Cl)c2C)CC1 516696672 SYDWWUOEIBONPH-UHFFFAOYSA-N 447.992 2.373 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CCN3CCC(C)CC3)c2)CC1 536719978 XPKWBWNRAPJLQX-UHFFFAOYSA-N 427.593 2.413 30 10 IEEE CCOC(=O)c1cnn(C)c1NC(=O)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 549196589 GWQGPWNGYRRGFP-UHFFFAOYSA-N 427.848 2.384 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H](CNC(=O)CC(F)(F)F)C3)cc2)c1N 557406052 VSMBDEBMWQFPDK-ZDUSSCGKSA-N 434.422 2.247 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 558454160 CZTTYPPMXGXJGO-GOSISDBHSA-N 443.939 2.175 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCO2)CC1 559113618 HJFNGQKVWGWWDV-FQEVSTJZSA-N 430.516 2.036 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)C2)c(F)c1 561725045 NGSHTVPZEMXWRU-ROUUACIJSA-N 442.516 2.103 30 10 IEEE CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2cccc(C#N)n2)CC1 568122658 YWYWJZOJMOBFDL-UHFFFAOYSA-N 427.472 2.207 30 10 IEEE COc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Cl)c(C#N)c3)C2=O)c(OC)c1 568665072 DPTQORWPPCCDAM-SFHVURJKSA-N 449.916 2.308 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)c1 604002431 VBSSZGCWAVGTED-UHFFFAOYSA-N 442.544 2.354 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ncccc2I)c1 609849054 YLJIDSRWBIWFGS-UHFFFAOYSA-N 443.266 2.403 30 10 IEEE N#CCn1c(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc2ccccc21 611238495 WPFKAFSKRFVYPA-LEWJYISDSA-N 427.508 2.494 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)n(CCC)c2=O)cn1 735069617 XTBJBLQRZCGKPR-QFBILLFUSA-N 441.601 2.124 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@@H]1CCN(C2CCOCC2)C1=O 746909409 BDTJFAUJDDLOQB-CYBMUJFWSA-N 445.419 2.093 30 10 IEEE CC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1Br 760621268 UKMHLFNVVBHSJR-UHFFFAOYSA-N 449.330 2.429 30 10 IEEE C[C@H](/N=C1\S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O)c1cccs1 774297467 NBGJAEDIAYXOLS-NRVVGONSSA-N 440.635 2.338 30 10 IEEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccc(C2(C#N)CC2)cc1 777173351 QQVKJORXYYRQOC-CQSZACIVSA-N 439.493 2.024 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CC[C@H](OC)C(F)(F)F)C1=O 786688104 NWZUIUAZLWCVHM-NEPJUHHUSA-N 434.440 2.125 30 10 IEEE CC(=O)Nc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)cc1 789969598 WJPALRUPDCYUIU-KRWDZBQOSA-N 425.518 2.265 30 10 IEEE COc1ccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)cn1 790737884 AYQWTNWXSHMIAN-INIZCTEOSA-N 447.586 2.351 30 10 IEEE COc1ncccc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790740296 WXBSPJRVTSMHOW-INIZCTEOSA-N 447.586 2.351 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC(=O)N2C(C)(C)C)cn1 796843981 CDEFDUVHUNEYKL-FUHWJXTLSA-N 449.577 2.028 30 10 IEEE Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccn1C 798817137 UEOWOOFXJHKSRG-IBGZPJMESA-N 428.514 2.469 30 10 IEEE C=CCNC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 799969495 RSHXUPQEYVCKAJ-UHFFFAOYSA-N 440.880 2.417 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC=C(c2ccnn2C)CC1 804198883 UBPZCHTZAOMCOC-SFHVURJKSA-N 441.557 2.333 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 804455459 VTSPKLHFBYZKRQ-SIKLNZKXSA-N 430.508 2.287 30 10 IEEE C#CC[C@@]1(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 809536979 CQJSBXDAULUNCJ-BTYIYWSLSA-N 435.546 2.304 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccc(F)cc1 812750536 ACGSDAKMIKRGDI-FQEVSTJZSA-N 445.516 2.017 30 10 IEEE C=CCN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1128110922 GSZWCIVINZBCAD-CTNGQTDRSA-N 438.528 2.352 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1129973892 ASCAPGNVGBBXDP-RFKJWAKASA-N 449.429 2.499 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 1143293482 IHNZSIQDUOKESC-HOTGVXAUSA-N 430.977 2.081 30 10 IEEE C#CC[C@H](COC)NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1169299891 ILGPPAHZEFMMPZ-OAHLLOKOSA-N 447.469 2.172 30 10 IEEE C#CCN(CC(=O)Nc1n[nH]cc1C(=O)NCc1ccc(OC)cc1)C(=O)OC(C)(C)C 1182667761 OORIZFSGYKBOCO-UHFFFAOYSA-N 441.488 2.157 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)cc1 1190546905 CXLBPZYRNOBMNM-UHFFFAOYSA-N 428.329 2.312 30 10 IEEE COC(=O)c1nccc2c(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)cccc12 1213440116 FJLHRDCZONZSEJ-UHFFFAOYSA-N 436.493 2.404 30 10 IEEE COCc1ccc([C@@H]2COCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1227632370 MXONCLKWBISQNB-PMACEKPBSA-N 438.484 2.182 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286348322 VZSVDIZTTLTKTN-LJQANCHMSA-N 438.507 2.134 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286390414 AQOIFCIBKOAUBV-IBGZPJMESA-N 440.525 2.168 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nc2c(s1)C[C@H](C)CC2 1286460238 BTDWIESSHAETMZ-OAHLLOKOSA-N 430.578 2.132 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1286681405 MWRFGKMNRFDXIY-UYAOXDASSA-N 436.560 2.427 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(N2CCCCC2)c1 1286773838 UCBFMBKPLUTGSW-IBGZPJMESA-N 439.564 2.302 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1286796614 OBDMEYHDYSFYOP-QZTJIDSGSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)OC)C1 1286809060 GFXDBVJQKSOXRH-PKOBYXMFSA-N 427.553 2.268 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1287085252 CSBCMQKREIGRPK-ZQHDKMAOSA-N 428.562 2.066 30 10 IEEE CC/C=C/Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1293716448 BEEKAGYEHJWLTJ-GHOSXJJBSA-N 446.563 2.483 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1296168082 PKTLXZPFNVQQND-GXTWGEPZSA-N 434.497 2.256 30 10 IEEE COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(CC#N)C1 1296599802 DKOFGTRIKSYPET-JOCHJYFZSA-N 449.507 2.417 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 1298697642 AFRKZCFDXLFCJP-CQSZACIVSA-N 448.932 2.343 30 10 IEEE C#CCCCn1c(N(C)CC(=O)Nc2cccc(C#C)c2)nnc1[C@@]1(OCC)CCOC1 1300423207 KDZFKIJUZCYLSB-XMMPIXPASA-N 435.528 2.400 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@@H](O)C1 1300438608 OTJITPGOLRVMHB-IAGOWNOFSA-N 430.578 2.167 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1300570170 YGPHGUKPWUNVBS-UHFFFAOYSA-N 434.588 2.443 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1300630308 APOZOXYDUHDSOG-OAQYLSRUSA-N 441.601 2.088 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1300635543 QEDRAUIWJKDRCY-HXUWFJFHSA-N 437.544 2.384 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)c2ccccc2)CC1 1300707632 GWJSZUPLMKKRHZ-UHFFFAOYSA-N 446.603 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1300723311 RTUAHHUGSSYATR-IHPCNDPISA-N 429.565 2.158 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1300850677 AOADSTGSKSPGNX-UHFFFAOYSA-N 440.367 2.186 30 10 IEEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1300972837 QTHIUXTWMSIJDY-SLFFLAALSA-N 430.597 2.332 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301040646 IBARSIBTIQRYOY-MSOLQXFVSA-N 436.988 2.058 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1301173973 MKOGFATWHDEKCX-WMZOPIPTSA-N 425.599 2.498 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C[C@H](C)O1 1301359377 GOPDSULKDVVDNS-SUMWQHHRSA-N 425.518 2.265 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301483631 RPLLQDMIKNIGTO-IVMMDQJWSA-N 449.353 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OCC)CC1 1301578383 ZBCXLQWGBFUXBB-UHFFFAOYSA-N 447.561 2.133 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(c2ncccc2F)CC1 1301587975 ZIEGGNVPYJYGBM-UHFFFAOYSA-N 448.568 2.082 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC=CCO1 1301806395 FWODXQJYSKWLBH-MRXNPFEDSA-N 435.488 2.305 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCc1cnc2c(Cl)cnn2c1 1301809572 PLLLVWCEDOAQDD-QGZVFWFLSA-N 444.927 2.435 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CCC2)CCOC1 1303489133 HYTSHBCPOWAIQX-DFXYEROKSA-N 435.594 2.360 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1313983343 GNDNZNPUIFQSCF-MBSDFSHPSA-N 435.532 2.157 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccccc1OC 1316205409 FXZKUMHAYJMZEO-PXNSSMCTSA-N 440.548 2.236 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1316241375 YIINNMAKYWQZLA-QPHCHLROSA-N 443.573 2.360 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(C#N)CCSCC1 1348112730 RKWFSJNSPQODPK-UHFFFAOYSA-N 439.559 2.082 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCCC1 1358880840 UKUGTLLXANJUTJ-RXVVDRJESA-N 433.564 2.499 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358957767 AALVEVBMRWAFSA-SFHVURJKSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCOCC1 1358989766 PHEBTVAUJWQFOW-UHFFFAOYSA-N 438.528 2.357 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N(C)C)CC1 1359173726 NAICZBTWRUFXIM-RDJZCZTQSA-N 436.582 2.187 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359304152 OBDLOMDZQQPVIF-ICSRJNTNSA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2ccc(C)o2)nnc1[C@]1(OCC)CCOC1 1359305895 PZSKDJLGEGTWGK-VGSWGCGISA-N 429.521 2.475 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1 1359310963 MOBZOPZMCAUMRN-LJQANCHMSA-N 426.521 2.204 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 1360307638 TZWGOJYAXUXBBC-UHFFFAOYSA-N 443.510 2.413 30 10 IEEE C#CCN(C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1435068252 FVTBFNUFFFYSLS-CQSZACIVSA-N 429.395 2.293 30 10 IEEE C#CCN(C(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12)C1CSC1 1453164768 JIECPFVBGFMVIG-UHFFFAOYSA-N 433.555 2.162 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc2c1NC(=O)CO2 1471439407 UGXXVRIARDSKAF-HNNXBMFYSA-N 442.497 2.254 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCO[C@@](C)(C#N)C1 1472149492 RHJWWKJYKIKCHT-JTSKRJEESA-N 431.489 2.154 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618949 PTGGKRWDVNJEIK-RRQGHBQHSA-N 429.473 2.146 30 10 IEEE COc1ccc([C@H](CO)CNS(=O)(=O)c2cc(Br)ccc2C#N)cc1 1475375288 DQVCBRPIUQUEIK-AWEZNQCLSA-N 425.304 2.384 30 10 IEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1501944027 DPOUBJYFDNQSTK-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1504882234 GILYWWRQHSGSKV-GOSISDBHSA-N 429.546 2.114 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1507632732 AHDIBNUCYUYRLS-ZWKOTPCHSA-N 444.605 2.268 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@H]2CSCCS2)n1 1507715933 DUDNZMMXELCIEE-SFHVURJKSA-N 432.619 2.487 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)c2c(C)noc2C)CC1 1507720287 UAZHWDYBWXNGHA-QFBILLFUSA-N 430.553 2.166 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507747345 GPTYMRZDPSSHRP-GOSISDBHSA-N 429.571 2.197 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1507925167 ZZXZPEXQASLSES-VSKRKVRLSA-N 439.560 2.483 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1507925387 AOYYGKTWYHDHGB-LJQANCHMSA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](CC)C1 1508085044 FFUXFJSYPMBOIB-INIZCTEOSA-N 435.532 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cnccn1 1508134958 AYLLXNLNYRFPAJ-UHFFFAOYSA-N 447.952 2.063 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1508411038 IFIBUPBLDAPCQP-OLZOCXBDSA-N 426.493 2.005 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC1CC1 1508644499 GJZBOALDMOTGNZ-SJORKVTESA-N 432.525 2.115 30 10 IEEE CC[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1513999693 GEHVKEFIAHSTSR-APWZRJJASA-N 446.577 2.245 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1516948542 FZFMVMLRWGUZQO-GCJKJVERSA-N 426.496 2.168 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 1526199956 MCTAFPDXMTYIAV-GXTWGEPZSA-N 440.909 2.457 30 10 IEEE COCCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1533948526 KTUOJFJAYUKKRM-INIZCTEOSA-N 428.876 2.301 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1c[nH]nc1C#N)n2CC 1534014363 CYABQPMEYXQDKE-UHFFFAOYSA-N 443.533 2.253 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(-n2cncn2)c1 1539029342 HVBUGFHDAUKSDB-MRXNPFEDSA-N 446.540 2.357 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC1CC1 1539178010 DHONTZYMQSMKGW-LJQANCHMSA-N 428.558 2.395 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(NC(C)=O)cc1 1539259590 GLJXEZPPJNOELY-UHFFFAOYSA-N 444.495 2.280 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cccn1 1539283913 CQRHOMZLFUEPIZ-KDURUIRLSA-N 437.548 2.408 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1539427641 FSILOSLLKWAKLL-HOTGVXAUSA-N 426.487 2.465 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1)c1ccccc1 1539758828 ADTAPDZGQAXEEZ-FQEVSTJZSA-N 438.576 2.384 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N(C)Cc2ccccc2)CC1 1539894190 BRRMUVDGBUWPJS-UHFFFAOYSA-N 436.560 2.462 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539997025 DYZYUEPQAMDXDE-UHFFFAOYSA-N 426.525 2.101 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540049012 FPFMKJLSYKHJNA-MBSDFSHPSA-N 442.564 2.221 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1540915460 LSMVLSMWHNRWQN-KRWDZBQOSA-N 434.610 2.232 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1541117626 KAYFPGYOKQDNPZ-SJLPKXTDSA-N 433.507 2.216 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)NCCC)CCCCC2)s1 1542767376 YCHMKWZDNLXUTO-UHFFFAOYSA-N 427.592 2.100 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2COCCN2CC(F)F)nc1C 1542967782 OEFQMLVUORPDHH-SNVBAGLBSA-N 430.506 2.089 30 10 IEEE CCc1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cs1 1543764085 JQXLNHQRJOSDRW-UHFFFAOYSA-N 436.534 2.100 30 10 IEEE CCN(CCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C 1547578358 GXSWYDOJEYRVRC-UHFFFAOYSA-N 440.552 2.437 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCc1cnn(C)c1 1548178621 HLZGPGZEQFBIGB-UHFFFAOYSA-N 448.575 2.375 30 10 IEEE CCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1548269418 UYJUAQFEZFXABG-UHFFFAOYSA-N 431.566 2.405 30 10 IEEE CCOCC(=O)N1CCC2(CC1)C[C@@H](C(N)=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548379570 DYMDAMJMUHWULZ-KRWDZBQOSA-N 438.450 2.286 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1554356086 ZQCSVBNHNPXHLP-UXHICEINSA-N 432.887 2.431 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1554531979 VRMKUAKYBDEZCL-RBUKOAKNSA-N 425.489 2.012 30 10 IEEE COC[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1555240528 HRBFGQFOCRIWOY-GOSISDBHSA-N 432.532 2.140 30 10 IEEE C#C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1 1564999747 OXMNXSDWDCGNML-XLIONFOSSA-N 436.350 2.038 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568508643 RNVSXQPBLNLZPJ-MRXNPFEDSA-N 436.459 2.325 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 1568680575 UQNTVSAMODEQFA-MRXNPFEDSA-N 446.953 2.105 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1Br 1570058368 NFCTZVNHSIISFU-LBPRGKRZSA-N 426.336 2.255 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnnn3-c3ccccc3)CC2)cc1 1584530135 CYYBGPCKZBDXBU-UHFFFAOYSA-N 436.497 2.178 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1587639716 MSLQWVSEOYZRLI-KKUMJFAQSA-N 433.603 2.268 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587807856 JWFFZCBPANHFTH-QGZVFWFLSA-N 449.552 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC[C@@H](C(F)F)N1CCOCC1 1588149245 KPLSKVJPSLBKGF-FQEVSTJZSA-N 445.489 2.437 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCSC2)n1 1588722953 IPBRDHVRINWOME-MOPGFXCFSA-N 444.605 2.408 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1594813094 ODAVVDWFADQSJX-HKUYNNGSSA-N 445.568 2.339 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1595308012 SMELWWWZNQOQAX-AZUAARDMSA-N 442.564 2.437 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1595860488 RAURYQKMJIKZMY-UHFFFAOYSA-N 446.602 2.208 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(SC)c(C#N)c2)C1=O 1597764175 MSORKNAQRRCTJT-QFIPXVFZSA-N 438.509 2.372 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC=CCC1 1608563530 KCLCVBFECMFDGX-GOSISDBHSA-N 434.548 2.366 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1613046896 YVGBVKWAQIHHLD-CVDCTZTESA-N 438.532 2.117 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1618678379 FEPKVCRMJCTTJA-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC(C)(C)Cc2ccc(C#N)cc2)C1=O 1626452807 FUHQPPKFNAREBS-XMMPIXPASA-N 434.496 2.471 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1628204147 NRBGHBLZHVKQQH-IBGZPJMESA-N 426.473 2.322 30 10 IEEE Cn1c(S)nnc1CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1628469667 FOFQABGVYWGIEM-INIZCTEOSA-N 428.518 2.126 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3ccc(CC#N)cc3)CS(=O)(=O)[C@H]2C1 1628708415 LMTARNLYYCGOLY-JQHSSLGASA-N 433.530 2.361 30 10 IEEE CC[C@](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)(C(=O)OC)c1ccccc1 1629775050 COODCMZMLUHZMJ-OAQYLSRUSA-N 432.473 2.374 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)s1 1629820044 GGFGHGRQRJQMOV-UHFFFAOYSA-N 447.517 2.293 30 10 IEEE C=CCOc1ccc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1635152659 WBZQOWFUKGNSTJ-UHFFFAOYSA-N 432.546 2.177 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2C[C@@H](N(C)C)CC[C@H]2C1 1637379890 ANTGSWSHHLNTAP-DMUMMCEESA-N 446.617 2.473 30 10 IEEE CN1C[C@H](N(C)C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCC1=O 1637952375 LZRURNXHJQGPJU-YLJYHZDGSA-N 426.517 2.472 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCO1 1638836887 QDIHOPMAJHENOQ-HZPDHXFCSA-N 440.541 2.326 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)C(F)(F)c2ccccc2C#N)ccc1OC 1639916234 CLBNFEZYOUVACT-UHFFFAOYSA-N 439.440 2.222 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)CCC2=O)cn1 1639957691 GSWDMSBNXKPOCU-FXAWDEMLSA-N 440.935 2.226 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CCO1 1641742350 AREYSEPNSOXAIA-QHCPKHFHSA-N 440.500 2.252 30 10 IEEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1644084004 PQJVZNYUBLNUNB-YSGRDPCXSA-N 426.561 2.367 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)CC2=O)cc1Cl 1652398890 XOOWWUSAFHWURV-HUUCEWRRSA-N 435.933 2.181 30 10 IEEE COC(=O)[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1652675392 HWPJQCGFPXKIGM-GOSISDBHSA-N 427.501 2.359 30 10 IEEE N#Cc1ccc([C@H](O)CN2CCNC(=O)[C@@H]2c2ccc(I)cc2)cc1 1655783675 KAORHICEXAZMBT-MSOLQXFVSA-N 447.276 2.369 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1nnc2n1CCCCC2 1658154971 ASFDOZIEBYNBPE-XLIONFOSSA-N 439.539 2.203 30 10 IEEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2cnn(C)c2Br)ccc1OC 1661517267 DRYUKSCTYOEYLX-GFCCVEGCSA-N 443.323 2.351 30 10 IEEE CCOC(=O)c1c(NC(=O)NC2(C(=O)N3CCOCC3)CCCCC2)c(C#N)cn1CC 1662775453 GAJAMBSBVVWHJX-UHFFFAOYSA-N 445.520 2.240 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCOCCN(C)C)c1 1689868794 QMLLONJNEAPZKW-UHFFFAOYSA-N 426.565 2.210 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689907649 GTIHLMKRSHDPBC-XUVXKRRUSA-N 431.581 2.342 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(O)CCN(C(C)C)CC1 1689974846 ABGACSVCCGNECL-UHFFFAOYSA-N 427.549 2.170 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1689992328 JJZIBCIPNTXFBT-RBUKOAKNSA-N 434.537 2.060 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2CC(F)(F)C2)CC1 1690150890 ZFJNBWWSVJRXAS-UHFFFAOYSA-N 428.487 2.275 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1690152361 IRBGADHKOZPWGQ-FPOVZHCZSA-N 431.581 2.232 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690227658 DQGJTYYJEFUWRX-OUAUKWLOSA-N 438.248 2.294 30 10 IEEE Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CC2=O)cc1 1693108839 ZFYJFANMBQRPAZ-UHFFFAOYSA-N 447.499 2.091 30 10 IEEE CCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696406982 JMFODFFZENPHIG-LJQANCHMSA-N 425.537 2.192 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1696584257 AWQWSQRGUXQYBT-UHFFFAOYSA-N 426.521 2.130 30 10 IEEE CNS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(C#N)C1 1697025165 CJEDHDGDNNGPNW-OAQYLSRUSA-N 446.577 2.153 30 10 IEEE COCCCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1698010416 XPMYHMHQKVSAEJ-XMSQKQJNSA-N 442.495 2.135 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(C(F)(F)F)c1 1698060537 BXGVHJYIMJDOHG-AWEZNQCLSA-N 437.426 2.058 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)cc1C 1698169810 IZKIPRKGNDLKCS-FXAWDEMLSA-N 428.537 2.154 30 10 IEEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1698428864 LFBWOXWLUULQDF-IERDGZPVSA-N 431.562 2.458 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1705547421 GJOKAKQNEUMXAR-UHFFFAOYSA-N 444.499 2.446 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)O)CC1 1705645033 JIDXMRYWDSHUAW-INIZCTEOSA-N 443.523 2.294 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)CNC(=O)C2 1705654642 OXTKGCLRIGJGCT-UHFFFAOYSA-N 440.529 2.326 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705659394 UWSUEFPSKATVBA-HZPDHXFCSA-N 430.578 2.291 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705664235 KYBBMSDAXXEZOQ-IBGZPJMESA-N 443.621 2.247 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760141 BDRRIQURUDAMEP-XLIONFOSSA-N 427.977 2.228 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1705827537 ITPJHMLOHAAUDZ-KRWDZBQOSA-N 427.505 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705934085 ATGBFMQMQIGBQE-OALUTQOASA-N 431.562 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1C(C)(C)C 1705938557 CBIZJMOMVOYQBO-CQSZACIVSA-N 437.532 2.249 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1706040720 KLWKNHMRBDFGEQ-INIZCTEOSA-N 439.545 2.499 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1706745928 LCUJMJKAQQFGIK-GOEBONIOSA-N 440.474 2.070 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1710326557 BGDMQLSIYKOGAT-AVRDEDQJSA-N 426.496 2.412 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCOC)c1 1722307829 WYJBRHWUSOWBBC-UHFFFAOYSA-N 443.511 2.219 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1722364251 YNGXPTXKTWJEOL-AVRDEDQJSA-N 428.558 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC(C)C)nc1 1722380232 ISIPKNVATKIXFP-UHFFFAOYSA-N 432.484 2.309 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCC(F)(F)C1 1722429915 XJUVNXIPVAFGCQ-SJORKVTESA-N 444.548 2.482 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCOCc2ccc(OC)cc2)CC1 1722437210 LDWUKECGGSLIRI-OAQYLSRUSA-N 439.560 2.153 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOC(C)C)CC1 1722448943 IYJZXMWWQRIGCQ-UHFFFAOYSA-N 427.524 2.399 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722456211 UVIAWBIPQUBRQC-ZWKOTPCHSA-N 444.605 2.018 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722508684 TXLHNGJUKHVRMK-FHWLQOOXSA-N 431.562 2.335 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CCOC)CC1 1722563118 FHHKCOROCVNPJY-OAQYLSRUSA-N 448.593 2.182 30 10 IEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722601082 UVSFWBJMTBCJKO-OAHLLOKOSA-N 435.550 2.376 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1722665111 KJHVTDIPTDDKNQ-XUVXKRRUSA-N 430.597 2.495 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cscn1 1722693204 GMKNZLAPLUVDTI-UHFFFAOYSA-N 428.518 2.357 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722911626 UHVOLALIVALBRN-MPJCZWRTSA-N 428.537 2.107 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1740534376 HEHQJDIEVZKQFJ-QZTJIDSGSA-N 442.539 2.179 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@@H](C)CC 1740602822 WKZCUSSAIHMTAZ-KKSFZXQISA-N 433.578 2.062 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1740658375 HWKBGQDQMMMEBG-UNMCSNQZSA-N 433.512 2.243 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1740671866 QDMNSAGFYPMRLL-KNQAVFIVSA-N 439.560 2.487 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CCCS1 1740681389 JQXVDMNAEHXINF-NRFANRHFSA-N 438.561 2.293 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1740799679 RZZWKOZFDUQPQE-KRWDZBQOSA-N 425.599 2.173 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1741000218 NFWNLUQVGLLSON-UHFFFAOYSA-N 425.566 2.023 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1741131740 HHZFSDJIOKSGLK-IKVWTGGYSA-N 436.626 2.287 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1741610108 ONMUQCNAHGSXPO-FQEVSTJZSA-N 438.580 2.106 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CC#N 1741711751 QBVYEWXTCLOAAJ-CYBMUJFWSA-N 425.946 2.060 30 10 IEEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1743961876 AQDTYJRMLQYWLL-FQEVSTJZSA-N 440.548 2.363 30 10 IEEE Cn1cnc(Cn2c(-c3ccccc3Br)nnc2N2CC[C@](F)(C#N)C2)n1 1748038698 OQIJHPOUDCTNCO-KRWDZBQOSA-N 431.273 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1CCCO 1748647635 RAIOCCLGSPZJIF-NVXWUHKLSA-N 449.397 2.351 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1748710061 FOXFHMAOFVDOGF-KRWDZBQOSA-N 430.459 2.386 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1748780264 QDIMIUTWPWGCHZ-JOCHJYFZSA-N 427.574 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCC[C@H]2C)CC1 1749009899 XDGXAZKDSRIQFM-LJQANCHMSA-N 435.576 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(C)CCOCC2)CC1 1749016768 NPRVRFMMOYLRCS-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1749211057 RHSTVUJUXGFIFG-QGZVFWFLSA-N 439.568 2.457 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1)C1CC1 1749525647 QNSYIIKNCUHCRO-UHFFFAOYSA-N 431.562 2.356 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1750199223 WSUBBVPMFXOHEU-LJQANCHMSA-N 448.480 2.120 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2(O)CCCC2)cc1 1750383809 DKMKWSGJBIUEGD-SFHVURJKSA-N 438.532 2.126 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1751174482 BMMAFPYPDLNXDT-WMZOPIPTSA-N 441.536 2.153 30 10 IEEE C[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1752125231 GEGPOMOUXFUNDZ-QGZVFWFLSA-N 446.577 2.294 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@@H]1C 1760248936 GEFPUQUNROFJGK-BZSNNMDCSA-N 433.553 2.329 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NCCC)CC1 1760263291 VLYGPHNSFGZSOA-UHFFFAOYSA-N 433.560 2.022 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1760292348 ZMNNCRBQFGLTHQ-HSZRJFAPSA-N 449.515 2.108 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1)C1CC1 1760474286 RVZWAWJPJLLBLK-INIZCTEOSA-N 439.651 2.162 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1760489275 FAWHOYNUERRLID-ICSRJNTNSA-N 438.580 2.186 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(Br)ccc1F 1760509939 VUEBVHGOQKZETR-HNNXBMFYSA-N 438.301 2.316 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760527926 MKDCKOODTBHECP-SJORKVTESA-N 443.529 2.295 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@@H]2C)cc1 1760529257 BGOIBYHBERVVLC-WMZOPIPTSA-N 432.546 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NC)C1 1760534930 IXTXDYNKSXZONF-SFHVURJKSA-N 426.521 2.065 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@@H]1C 1760689454 XKQIPTNULYRIBI-VFVRVIDISA-N 437.342 2.182 30 10 IEEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760800473 JPQAOWVENKNEHF-OALUTQOASA-N 438.532 2.494 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)NC)CC2)c1=O 1766960104 BNTGYWXXRVIASR-UHFFFAOYSA-N 445.527 2.009 30 10 IEEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1768067422 AOBSCZKHUNMOQU-KRWDZBQOSA-N 446.577 2.104 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1769922041 CQSJVQDCMPWVKB-UHFFFAOYSA-N 442.564 2.312 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1772564799 QOWBZXFEKWZYLI-CYBMUJFWSA-N 429.468 2.459 30 10 IEEE C=CCN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2cccc(Cl)c2)CC1 1850854772 RMORROYAZWOKKA-QGZVFWFLSA-N 432.011 2.070 30 10 IEEE COc1ccc(N(C(=O)C2CN(c3ncc(Cl)cn3)C2)C(=S)N=CN(C)C)cc1 1851215349 QADNCHFGRPLCKU-UHFFFAOYSA-N 432.937 2.483 30 10 IEEE CN(C)Cc1cc(=NC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)[nH][nH]1 1852530645 VTFRUGKUUNEREI-OAQYLSRUSA-N 428.496 2.491 30 10 IEEE C[C@@]1(N(Cc2cn(Cc3ccccc3)nn2)C(=O)c2cccc(C#N)c2)CCS(=O)(=O)C1 1853417885 PRCNSSRLGVNJIK-HSZRJFAPSA-N 449.536 2.418 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)C(C)(C)C2=O)cc1C#N 1854774701 QZVQIMIZKAAAOV-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1 1858335513 OEKLVWOCUPXSNU-GFCCVEGCSA-N 431.948 2.015 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc1C 1859476911 UWRMKHSWVYPBDP-UHFFFAOYSA-N 449.485 2.189 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1861776242 QEOKTQSMTWXTIH-FQEVSTJZSA-N 437.471 2.232 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3cnc(N(C)C)nc3)sc2c1 1866153130 ORPJQXITHRUXCX-VMPITWQZSA-N 444.542 2.269 30 10 IEEE Cc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 1866649506 VZNKWCCMSQTGKE-UHFFFAOYSA-N 428.514 2.264 30 10 IEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccccc3)CC2=O)cc1 1870151499 XWNLONVGFHDONS-MRXNPFEDSA-N 444.451 2.307 30 10 IEEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN(CCOC)CCOC)cc1=O 1870563716 MDTRCGPWNMFESV-QFIPXVFZSA-N 448.947 2.342 30 10 IEEE Cc1nc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c2ccccn12 1889403936 LYQQYUUOPSJTPW-UHFFFAOYSA-N 437.588 2.293 30 10 IEEE O=C(NCC#CCN1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1889707124 FYSALKMAUBMELF-UHFFFAOYSA-N 435.565 2.222 30 10 IEEE C=CC1(NC(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1991830869 AUVYNDMFFZZSMN-UHFFFAOYSA-N 425.526 2.040 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2010152362 WGNMZVPVHUOHRU-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2052710993 GRGGXSVGRJFNKT-WBVHZDCISA-N 436.358 2.286 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@@H]4CCN(Cc5ccccc5)C[C@H]43)nc2)OC1(C)C 2116069803 VMJXRPWYDWJOJJ-NHCUHLMSSA-N 436.365 2.256 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141666796 BCCOFBKPWPXUKP-CVEARBPZSA-N 447.341 2.392 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCCOCCNC(=O)OC(C)(C)C)C1 2247535024 MZPQQBZAUHFWFH-UHFFFAOYSA-N 439.553 2.341 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248405606 VTCQLKYQFNEXQK-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255628313 GKUIBGUJHOCHKN-ZFWWWQNUSA-N 434.346 2.227 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255873102 BOCPTAWMGHEFSI-FQEVSTJZSA-N 426.322 2.031 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256640412 SGDSPBWQTKRRNV-CQSZACIVSA-N 449.382 2.316 30 10 IEEE CO[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1NC(=O)OC(C)(C)C 2256896771 ZCHJTANWALYELP-HZPDHXFCSA-N 437.321 2.248 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267187544 ZNDMPFZVWNADGR-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE Cc1cccc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1B1OC(C)(C)C(C)(C)O1 2267233111 ZFQQRTWVBGTGSN-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2267265875 LMULIHRAMJGEBT-QGPMSJSTSA-N 445.369 2.310 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267598972 IEBVMAXDGPGXQF-IAGOWNOFSA-N 445.369 2.167 30 10 IEEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2317504137 VUWUPGNBAVMUFU-HOCLYGCPSA-N 433.358 2.479 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2337193171 BZMJTKQUIASXOJ-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccc(O)c(OCC)c1 9556732 CVDHRWKLIYGYRO-ISHFTEKXSA-N 432.469 2.289 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccncc1 10491407 ISCBILVGQAEGAB-KRWDZBQOSA-N 449.602 2.290 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 439754101 GTYZDZSGZXWQBO-ZWKOTPCHSA-N 439.903 2.777 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3)cc1 440722880 SERGATDZNFYCDT-UHFFFAOYSA-N 429.498 2.395 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CC(C)C 447268686 WTIFOAPWCTUIBG-UHFFFAOYSA-N 444.507 2.135 30 10 IEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460544600 FMGUEBYGYYYVEW-UHFFFAOYSA-N 446.533 2.434 30 10 IEEE COc1cc(OC)cc(N2C[C@@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2=O)c1 461290861 IZTKEFKKNZAKKM-HNNXBMFYSA-N 432.440 2.148 30 10 IEEE CCOC(=O)c1ccc(N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)nc1 462094759 BUPJIHGKGSACRW-UHFFFAOYSA-N 446.471 2.065 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 468793324 BPQJZMGRLQWUEK-YLJYHZDGSA-N 439.487 2.299 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)CC2)c1C#N 472072318 DMOMRSZUBVIHBE-UXHICEINSA-N 443.502 2.155 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OCC)n2)c1=O 477452048 KRUQKSASCDXVLF-UHFFFAOYSA-N 447.516 2.284 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)o1 480923489 CHRMREZSFNQBFG-UHFFFAOYSA-N 433.489 2.238 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CN4CCC[C@@H](C(N)=O)C4)cc3)cc2C1=O 483607049 LZQQFQHGOWXODF-GOSISDBHSA-N 446.507 2.418 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 515661206 MLQOSPAIPBYVBD-UHFFFAOYSA-N 446.507 2.185 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(OCCN4CCOCC4)c3)cc2C1=O 521328059 LFDHWDNFWFUMPW-UHFFFAOYSA-N 449.507 2.110 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 546311590 ICCUTPXIXBUANV-UHFFFAOYSA-N 443.515 2.200 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)cc2cccnc12)C(=O)OC 561552506 VDOUZWKIGXOSLQ-CYBMUJFWSA-N 429.292 2.020 30 10 IEEE C[C@]1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCN1Cc1ccccc1 567287619 IZHMTUGZUNKXJH-JOCHJYFZSA-N 426.542 2.007 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 619569785 QJAIAMUAYAAEHP-QGZVFWFLSA-N 429.402 2.426 30 10 IEEE C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669814310 BQAYKMNEHSJZEB-UTKZUKDTSA-N 426.540 2.183 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)no1 730138501 CSHODAFARBTCMA-KRWDZBQOSA-N 433.509 2.322 30 10 IEEE Cn1c([C@@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)nc2ccccc21 732496251 XFBKLZFCLLKRFL-UWJYYQICSA-N 427.464 2.225 30 10 IEEE C[C@H](CC(=O)OCc1noc(-c2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 744089327 SAJURBJNSCIMAC-CYBMUJFWSA-N 426.454 2.297 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccon2)C1=O 747449014 QLNINVSFGMQVCX-SFHVURJKSA-N 440.529 2.136 30 10 IEEE C#CCN(CC#C)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 752151820 PNFPYBSIPWBUEA-UHFFFAOYSA-N 429.361 2.006 30 10 IEEE C#CC[C@@H](NC(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1)C(=O)O 757304179 DUTYPHPVOWOORH-BWKNWUBXSA-N 448.475 2.277 30 10 IEEE C#CC[C@H](NC(=O)[C@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757463171 KXBKMDHBJSCPDP-FKBYEOEOSA-N 448.475 2.275 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC(=O)N2C)cc1 760400598 BHZLJVKHPBJNPD-MJGOQNOKSA-N 433.530 2.135 30 10 IEEE C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760550189 AVLCYUXRFGCTQA-IBGZPJMESA-N 430.921 2.215 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 763937615 MMUXGUIYQSKFMB-MJLSSAHJSA-N 447.561 2.022 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 763937859 MFYQTLRICUWIGJ-MJLSSAHJSA-N 447.561 2.022 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(Cl)cc3F)n(C)c2=O)cn1 773262306 ZBPNWUBRRANGNI-UHFFFAOYSA-N 430.892 2.232 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(NC(C)=O)nc2)C1=O 788409851 DNEWFJRRBCKOLT-MRXNPFEDSA-N 429.477 2.447 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)[C@H]1CCCO1 788829620 SNUYBCPGNXGRCI-NMLBUPMWSA-N 441.528 2.150 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(Cl)ccc1OC 792768732 KCLUKJNTYBVOBO-KRWDZBQOSA-N 436.965 2.371 30 10 IEEE COC(=O)c1cccc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 809125094 FOJTXAVWIIOQML-UHFFFAOYSA-N 441.234 2.365 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)COc3cccc(Br)c3C#N)C2)n1 856714044 LMBHBARIHCTOKV-LJQANCHMSA-N 449.305 2.241 30 10 IEEE COc1ccc(-c2noc(CCC(=O)NS(=O)(=O)Cc3ccccc3C#N)n2)cc1 916775441 TZPTTXISRGRIAH-UHFFFAOYSA-N 426.454 2.196 30 10 IEEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc1 1084499286 ZPMKRLQPAVQBRR-UHFFFAOYSA-N 441.521 2.290 30 10 IEEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)c(C)c1C 1124334667 WLWSVQJSCWXQHD-QFIPXVFZSA-N 433.574 2.382 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(F)(F)c1ncccc1Br 1127138317 JCSNAQRMBWLWKO-NSHDSACASA-N 437.248 2.335 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1128703070 DVOZZGUCEPIEAR-GOSISDBHSA-N 447.388 2.354 30 10 IEEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)COc2ccc(C#N)c(Br)c2)O1 1133996328 JNUYMZWBLBJQDQ-JQHSSLGASA-N 439.306 2.121 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)c1 1136643818 XZMIRMYFCIZJJM-SFHVURJKSA-N 429.517 2.417 30 10 IEEE CC[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)S1(=O)=O 1140279202 MVJGESLVQVLWOB-WBMJQRKESA-N 440.363 2.181 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H](c2cncn2C)N(C)C)cc1 1141966552 FUSGLUNTKCWRMA-MOWYTJSFSA-N 446.577 2.255 30 10 IEEE C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1143727256 UUUAQOXXLGVXLG-YLJYHZDGSA-N 430.549 2.461 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] 1148127718 DOOYTDUUMAODRA-QGZVFWFLSA-N 426.477 2.451 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1149433522 ZWDIJSCQZGWCMA-HXUWFJFHSA-N 434.500 2.152 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)OC 1155780011 WWLBWYPCZIZSIE-MOPGFXCFSA-N 445.516 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)NC1CCN(CC#N)CC1)c1cccc([N+](=O)[O-])c1 1160753318 ZUSBRYPMUSKLDU-NRFANRHFSA-N 431.493 2.439 30 10 IEEE Cc1cc(F)c(C#N)c(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1162686254 PALWNFQBZAQQCO-UHFFFAOYSA-N 438.525 2.077 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCN=c1c([N+](=O)[O-])c[nH]c2cc(Br)ccc12 1185281399 IAYWCCPGZCWROR-MSUUIHNZSA-N 432.234 2.266 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2nnn(C(C)(C)C)n2)c1 1264675167 XGORVKKGOAGFCN-KQWNVCNZSA-N 433.538 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(=O)C(C)C 1286275229 RIEXPUFBOZGWOE-INIZCTEOSA-N 444.967 2.482 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286319858 XAXBCCOXSVDKLZ-DENIHFKCSA-N 435.576 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1CCCCO1 1286414593 ZWMGRBADXDMAJB-NRFANRHFSA-N 433.560 2.484 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[S@](=O)CC)CC1 1286475157 XVPHGYLGNVAHDG-GDLZYMKVSA-N 435.981 2.131 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286789632 HXTSDELUMFPBBU-UHFFFAOYSA-N 430.597 2.396 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C#N)c1 1286791096 UJPYHNRDCOXNPZ-UHFFFAOYSA-N 449.540 2.080 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCc2c(ccnc2O)C1 1286792253 RZDXSFQGHFHHSI-UHFFFAOYSA-N 448.527 2.439 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCN(CC)CC2)C1 1286803593 FFAKVSQDXIXSRR-PMACEKPBSA-N 427.597 2.091 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286818659 LWYNFABYZSLIGV-SFHVURJKSA-N 431.562 2.194 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286832704 NKQBZKJHCJYKOA-RDJZCZTQSA-N 436.607 2.174 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1286835621 WLJUAJIVOUILJW-MRXNPFEDSA-N 431.562 2.452 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1291325032 DHFLAGIBASAQJY-MWTRTKDXSA-N 442.539 2.453 30 10 IEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1NC(=O)OC(C)(C)C 1294435722 IDAPUZZDUUTNLR-ZDUSSCGKSA-N 434.497 2.352 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C 1298968747 CDDCPIAIUBSDFY-MRXNPFEDSA-N 432.532 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@H]1C 1300560987 KIDARIPTBYLRIC-IFXJQAMLSA-N 432.322 2.039 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1300564103 SOFHYHFLCUFEDW-OAQYLSRUSA-N 429.572 2.306 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOC)CCC2)CC1 1300706278 JYGPCUNHYAWCBM-UHFFFAOYSA-N 425.581 2.102 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(OC)C1 1300733349 JFHXTMHNFFQHKK-UHFFFAOYSA-N 433.965 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1300885268 OIEWQCBAUYHCKQ-TVFCKZIOSA-N 438.594 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301490841 GGKBMWJLEKJMHN-INIZCTEOSA-N 443.552 2.031 30 10 IEEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)ccc1OCCO 1315319452 UIDXTNVBQIQOGO-SJLPKXTDSA-N 429.521 2.338 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(F)(F)Br)c1 1316530479 VTHZOKAWJFJLJY-GFCCVEGCSA-N 425.237 2.116 30 10 IEEE C#CCN(c1nnc(COCC)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358966957 AKAALQTZEHABCB-SFHVURJKSA-N 438.594 2.181 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1359034509 TVCMUNLYSZUTHP-SFHVURJKSA-N 447.509 2.288 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359053734 XGMJWAKUCUHUBD-IBGZPJMESA-N 441.601 2.479 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCc1cnccn1 1359296202 AIHHBIPXZFIMJE-UHFFFAOYSA-N 428.500 2.264 30 10 IEEE C#CCN(C(=O)CN(C)S(=O)(=O)CC)[C@H]1CCOc2ccc(Br)cc21 1360311520 WWHIQFWJKJRANY-HNNXBMFYSA-N 429.336 2.016 30 10 IEEE Cc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)cc(N2CCCC2)n1 1361081057 HJKCPJPSZNHGSF-KRWDZBQOSA-N 436.564 2.348 30 10 IEEE N#C[C@@]12CN(C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)C[C@H]1CS(=O)(=O)C2 1439613891 UGSCTDSCSXKCFE-KKSFZXQISA-N 427.457 2.088 30 10 IEEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1ccc(Br)cc1C#N)C1CCCC1 1451217461 FUNOEEWJRBHAGG-MRXNPFEDSA-N 443.367 2.005 30 10 IEEE C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)NCCc1ccccc1 1460092386 ICUWXXXVPUBZBI-KRWDZBQOSA-N 427.526 2.241 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c1 1465172130 OLEOFEMKKWFJAS-UHFFFAOYSA-N 431.945 2.490 30 10 IEEE CC(=O)NCCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](C)C(=O)OC(C)(C)C 1466785825 CPYZCZMEBFNYBM-MRXNPFEDSA-N 444.532 2.362 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1472191769 LOJTUOXQLHBFDU-DAESXHAQSA-N 433.530 2.283 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1503116804 FZBODWYUKSJEFU-MSOLQXFVSA-N 426.521 2.078 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCCC2)C1 1503838313 GEMUYPFFXRGPQR-UHFFFAOYSA-N 444.561 2.048 30 10 IEEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1505260786 ASLLXMZKQXBFPQ-KRWDZBQOSA-N 443.552 2.320 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(S(C)(=O)=O)cc1 1507538598 VCAKBFXUKUKNKJ-KRWDZBQOSA-N 448.552 2.426 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507632431 LBGBAXNAIRNHHK-UXHICEINSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCNC(=O)C1CC1 1507646311 CTVVBRLECIQNMI-UHFFFAOYSA-N 426.318 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cc1 1507671670 NZVIHFJUHDKNAP-KRWDZBQOSA-N 446.960 2.376 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1507727881 NPTIDBYIRQKBTF-UHFFFAOYSA-N 443.617 2.032 30 10 IEEE C#CCSCCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1507758351 MPVGSJGISWGNHR-MPGHIAIKSA-N 448.511 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507768106 LNYSOBFONGSVBY-DDOIHHOZSA-N 428.581 2.109 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@@H]2CCOC2)cn1 1507985779 MYFZEYQVUJLAED-MRXNPFEDSA-N 441.561 2.292 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1)C1CC1 1507986883 JFUOYYILGUVYSZ-UHFFFAOYSA-N 438.532 2.195 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1508020086 NNIQAPPYGGCWGY-IAGOWNOFSA-N 441.623 2.075 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(F)(F)F)CC1 1508073975 ZZOOTVOKICLCOB-UHFFFAOYSA-N 430.475 2.277 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C1 1508123599 CYWGSRAFOKJLQD-NRFANRHFSA-N 439.608 2.071 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1509963431 GOCODBCZFFQTCS-GDBMZVCRSA-N 449.481 2.401 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1512424579 IOAHTUFIWIJTSB-RLBWVDARSA-N 440.479 2.226 30 10 IEEE CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1513818995 GDSJUMYGYQVVOM-UHFFFAOYSA-N 426.565 2.476 30 10 IEEE CCCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1515113806 RZCDQHGZVMALOP-UHFFFAOYSA-N 449.490 2.069 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1515894154 QUHGQHPDTVQTKQ-IERDGZPVSA-N 446.962 2.461 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@@H]2CCCO2)cc1 1521082466 HGKVPXHTOBKTHL-KRWDZBQOSA-N 439.438 2.373 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1538973806 QEZUCBDNYIWSMQ-DLBZAZTESA-N 429.496 2.264 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1539046471 SMQGSHGDWPDWIX-GOSISDBHSA-N 428.581 2.449 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC(F)(F)F 1539159550 YWZRVKJJKKRCJT-UHFFFAOYSA-N 430.228 2.456 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCSCC(F)(F)F 1539249851 DOIAZCUTDYFUTG-UHFFFAOYSA-N 446.462 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1539261157 ZJOWENKGMKLOMC-QHCPKHFHSA-N 428.452 2.167 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(C)(C)O 1539315814 VGIRWDPNEWSERI-UHFFFAOYSA-N 432.528 2.299 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1539429691 BNCOKXRACQICRC-REHUZNOOSA-N 445.608 2.278 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2C[C@H]2C)CC1 1539434955 YWHVUKVEBMXOCT-SJLPKXTDSA-N 425.533 2.382 30 10 IEEE COc1cc(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)ccc1C#N 1539785007 GFYZZAFWRYKAGA-UHFFFAOYSA-N 440.504 2.484 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 1540039854 IFRGSTUXRDFUAS-UHFFFAOYSA-N 426.565 2.158 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)CC1 1540866182 FPOFQFDPRPPBBX-UHFFFAOYSA-N 437.331 2.223 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1540874697 OPMXHKQZJIEXGI-ICSRJNTNSA-N 436.516 2.036 30 10 IEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1540879564 HYCRSAQMJVCRQP-UHFFFAOYSA-N 438.576 2.415 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](O)Cc2cccc(OC)c2)n1 1546212921 CFXLJGLXCKPSBV-HNNXBMFYSA-N 431.543 2.351 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(CC)C(C)C 1548175128 MLFPWFSSBMKACE-UHFFFAOYSA-N 426.569 2.138 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@]34CCC[C@]3(OCCOC)OCC4)ccc2c1=O 1558731221 UJAAVRGWUZSSJF-FGZHOGPDSA-N 445.541 2.303 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1)C(C)C 1562064872 ZKPIFPLQZJVSPK-LJQANCHMSA-N 449.621 2.248 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)cc1 1562197344 JJIOTYOTLKGCCL-IBGZPJMESA-N 436.578 2.212 30 10 IEEE CN1CCN(c2ncccc2CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1583870400 PLSNTBTXXRIPHG-GOSISDBHSA-N 430.553 2.037 30 10 IEEE C=CCOc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1587251344 NXMVLUPSZQLUDT-UHFFFAOYSA-N 430.526 2.131 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1587749768 MZXQNNPXGAXWQP-QGZVFWFLSA-N 437.552 2.311 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1587837905 KOPCBERSHZABQD-SFTDATJTSA-N 449.603 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1588800396 DRWFTWZTIGBQFI-UHFFFAOYSA-N 445.449 2.413 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1589427154 BVWRNAXILDJYIX-AWEZNQCLSA-N 444.337 2.092 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnc(C(C)C)nc1 1595561857 DWYWRIQVQCKHPE-UHFFFAOYSA-N 440.577 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(C)o1 1595823153 KYAWFFOIQSXJEM-KRWDZBQOSA-N 447.561 2.244 30 10 IEEE Cn1cc([C@@H]2CCCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)nn1 1606970799 MCBSKSQTQSJHNC-CYBMUJFWSA-N 429.322 2.292 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(C)(=O)=O 1611756934 BEKGFKVDLQIGEF-LIRRHRJNSA-N 439.488 2.434 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccc(OC)c1 1614028393 BZHDUUDPXGWCJB-KRWDZBQOSA-N 432.532 2.469 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1617331808 CVGKMQFJRAJELP-HDICACEKSA-N 429.546 2.256 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1624178465 VCRBPGXOCWHZNX-XUWXXGDYSA-N 433.892 2.039 30 10 IEEE CN1CCCC[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1627459277 RTJXJFFVUBWPAJ-QZTJIDSGSA-N 433.350 2.416 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 1631546804 KDTQEICLMSDMSN-NVXWUHKLSA-N 435.546 2.116 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 1631841842 HYJKUENSOMBOPX-CQSZACIVSA-N 432.893 2.213 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1631964863 URCAOEUXRQRJJO-CVDCTZTESA-N 443.548 2.131 30 10 IEEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C1 1636902628 KUJYCDJEZOIURA-UHFFFAOYSA-N 435.340 2.095 30 10 IEEE CCCc1c(C(=O)N[C@@H]2CCCN(O)C2=O)nnn1Cc1cccc(Br)c1 1637667729 IJTWKMOOVCJFMJ-CQSZACIVSA-N 436.310 2.151 30 10 IEEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 1638029020 DKEOQATUIVVKER-IBGZPJMESA-N 426.517 2.087 30 10 IEEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1640916117 KRHNZGIXVZYVJC-IBGZPJMESA-N 431.439 2.309 30 10 IEEE N#Cc1cn(CC(=O)Nc2ccnn2Cc2cccs2)nc1I 1644033088 DFUIEXYETUWRCM-UHFFFAOYSA-N 438.254 2.304 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)C1 1644149533 HOSICRDKVADJRH-QUCCMNQESA-N 447.377 2.251 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C[C@@H](O)CC3(C#N)CCOCC3)C2)cc1 1644925129 LGAOTWJUZFVASJ-UXHICEINSA-N 435.590 2.057 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1 1645085055 JXTAGAUEYJEGAN-FQEVSTJZSA-N 449.536 2.488 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1C 1646347942 COJAYUGUBHDYTL-UHFFFAOYSA-N 427.549 2.056 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)C2)nc1 1652332416 WERGMGUTUZSHDI-SFHVURJKSA-N 425.514 2.111 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1653866908 UKGAOPJNXNHPQA-UHFFFAOYSA-N 428.558 2.217 30 10 IEEE COc1cc(CNC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)cc(OC)c1OC 1654489492 PEQQIVXFFMDYEI-UHFFFAOYSA-N 439.512 2.496 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2ccc(CN3CCNC3=O)cc2)CCN1Cc1ccccc1 1684600603 NOIBLJOURCBZMG-JOCHJYFZSA-N 432.528 2.131 30 10 IEEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685598625 WICXCJOYIDNAPY-LVIWNVNYSA-N 434.558 2.326 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC(C)C)CC1 1689926633 VDLXIXSDQDDKIC-UHFFFAOYSA-N 442.520 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCc2nccn2C1 1690034550 LJFOQPJWCFOGCG-YKSBVNFPSA-N 436.560 2.241 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1690059472 QINFALRBSKRGAB-MRXNPFEDSA-N 446.577 2.113 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690093760 JDSBFZPWTGOYAU-UHFFFAOYSA-N 425.577 2.493 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccccc1C1OCCO1 1690105008 PSFPAKWPTBTEJP-UHFFFAOYSA-N 433.512 2.444 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1690156380 WSYMOPADDBXUIF-HZPDHXFCSA-N 449.602 2.042 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690226675 IECOHHRQGXCFKX-UHFFFAOYSA-N 437.386 2.199 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)C1 1690699167 AKDXNOCUMMAFQA-GJZGRUSLSA-N 437.591 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(F)cc(F)c2C1 1690722549 NKHDWQNXVKWHPS-UHFFFAOYSA-N 448.499 2.120 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C[C@H]1CCOC1)C1CC1 1690723597 WMMLBIPEJZMCLY-QGZVFWFLSA-N 431.562 2.255 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690740205 MRIZYDCKADLDFZ-UHFFFAOYSA-N 438.561 2.385 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1698061838 WAJLMXHPBYEFEW-FQEVSTJZSA-N 440.548 2.289 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(F)(F)Br)c1 1698485836 NNWNDMFOPDYMFF-UHFFFAOYSA-N 446.277 2.039 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1CCC(O)CC1 1705501638 LMSRWLRDJQZPGL-GOSISDBHSA-N 427.549 2.170 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705569721 JQXKFTXDJXMOPK-WIYYLYMNSA-N 441.601 2.382 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705733737 XQROCWQPVNVWJL-HNNXBMFYSA-N 438.454 2.438 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705907245 FNEYBVKVEBTBNJ-LJQANCHMSA-N 426.569 2.363 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)CC)C1 1705922395 MEDCZGRYGNPJMD-QMHKHESXSA-N 438.532 2.134 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)C)CC1 1705933274 ABLSVIBDGWDEPX-UHFFFAOYSA-N 433.578 2.085 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](COC)C1 1710893731 QZPOAIDSCOXIBP-SFHVURJKSA-N 446.577 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722286803 KIYFTLUWDRXZQQ-HNNXBMFYSA-N 432.546 2.388 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722405762 QBIGGWZTBFIGFW-QFIPXVFZSA-N 446.573 2.036 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722511284 ZMMLTJDPUUSOIY-OKYOBFRVSA-N 433.553 2.430 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCN(CC)CC2)CC1 1722572483 UEFGRTRVPPIHMG-SFTDATJTSA-N 432.613 2.186 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722694706 FJFJLGAEYKXTAE-RDJZCZTQSA-N 427.505 2.022 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1723676315 IDAGWJIKGAHALV-AVRDEDQJSA-N 433.553 2.254 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1728583828 HVXSNCLXJAYKKP-MOPGFXCFSA-N 425.493 2.456 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740531531 NWWGMRULVSHJRT-HUUCEWRRSA-N 427.509 2.297 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740621327 LSMYEYVMQTVQHX-MRXNPFEDSA-N 434.537 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1n[nH]c(C)n1 1740646563 DSUYNMMUXOEEQE-UHFFFAOYSA-N 427.310 2.168 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1sccc1Br 1740678596 PEMSEYNHWLDWLA-UHFFFAOYSA-N 440.367 2.375 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@](C)(O)CCOC)CC1 1740692979 RHJHFDPKUDHDBZ-DEOSSOPVSA-N 434.544 2.036 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1740697817 HGKXMIGWYGZSBW-HSZRJFAPSA-N 447.562 2.461 30 10 IEEE C#CCSCCn1c(N(C)Cc2c(C)nn(C)c2C)nnc1[C@@]1(OCC)CCOC1 1740724017 WMJSQPBHCLXVPZ-OAQYLSRUSA-N 432.594 2.283 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCC)CC1 1740757388 VTBBZUBINLVNCS-RXVVDRJESA-N 442.564 2.086 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCCC(=O)NC 1740762734 FYTSEROLNKYGNH-GHTZIAJQSA-N 429.569 2.083 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1740797926 WRRNHXDNHFBIGQ-FQEVSTJZSA-N 427.549 2.279 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1740940627 NFCDELVKKGMBFA-YJBOKZPZSA-N 441.532 2.248 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1741003452 VEHJBUPIGIPJLS-RTBURBONSA-N 432.594 2.420 30 10 IEEE CC(C)(C)[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741178317 INNOWRDGDMYBQV-XSAFGROZSA-N 428.537 2.181 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1743420398 PMNVWWPKARWURL-MSOLQXFVSA-N 444.511 2.208 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1743907745 UJXYGDXLFMUQFJ-AOIWGVFYSA-N 432.569 2.437 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748808160 AIYRSDHBBFRMIA-JKSUJKDBSA-N 434.562 2.464 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748816129 XKJGRFDLKJQDGV-IBGZPJMESA-N 428.558 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](CC)OC 1748828803 MHTSJRNKCVBRHM-QGZVFWFLSA-N 428.562 2.044 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748844310 QZVYDOAQOHKIRN-TZIWHRDSSA-N 434.544 2.261 30 10 IEEE COc1ccc(OC)c(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1748853826 FWFDHNFXZDGXFT-HTAPYJJXSA-N 442.495 2.321 30 10 IEEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1749382637 SGUYIPJBUQOLGN-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1749455399 UUGRRQLGNHYITA-KRWDZBQOSA-N 438.532 2.257 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1)C1CC1 1749519202 GJDFXYNMGQOVNH-GOSISDBHSA-N 443.573 2.133 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2cncn2)nc1 1750792703 FUZWJRQTZWWXEY-SFHVURJKSA-N 448.535 2.019 30 10 IEEE CC(C)N(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1751219688 HKAYVFYMIBMZIA-XLIONFOSSA-N 439.630 2.137 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H](C(F)(F)F)O1 1752311515 CHGNLAOHADCZAA-XJKSGUPXSA-N 436.438 2.451 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760144509 RUTXIUFFCSGEMD-UHFFFAOYSA-N 435.532 2.178 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760145932 YLNRLROCJQRKRH-IAGOWNOFSA-N 448.568 2.156 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760146212 GMWNROJBZKFTNS-MRXNPFEDSA-N 432.322 2.072 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)COC)CC1 1760255358 YMVGUDJVCJVXFC-UHFFFAOYSA-N 435.370 2.464 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1760412882 UACUSXRKGMKPNO-ULQDDVLXSA-N 425.599 2.448 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1760542971 PEQDWHVCBNXIAX-ROUUACIJSA-N 432.546 2.037 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCOCC2)C1 1760549522 GPCFTAVYYDLJQV-HXUWFJFHSA-N 428.533 2.222 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1762611642 PCGXHCPOHNTXDK-WJOKGBTCSA-N 435.557 2.107 30 10 IEEE CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1765445950 AUFOJRYEDJJCRS-HRAATJIYSA-N 426.500 2.242 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1768659231 AJCXZWSNBMCSKR-IBGZPJMESA-N 427.530 2.035 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1)OC 1770778840 COXMVJUWBOXTSI-OAQYLSRUSA-N 440.548 2.065 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1771535409 MEQHITPIWPUMEZ-IBGZPJMESA-N 445.518 2.360 30 10 IEEE Cc1c(C(=O)NCCN2CCC(C#N)CC2)nnn1Cc1ccc(Br)cc1 1852656003 GARYDNANNXMWTD-UHFFFAOYSA-N 431.338 2.363 30 10 IEEE Cc1noc(C)c1CN1CC[C@H](N(Cc2ccc(F)nc2)C(=O)c2cnc(C#N)nc2)C1 1853601390 MZVOIFJAIOJQKD-SFHVURJKSA-N 435.463 2.404 30 10 IEEE Cc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)c1 1855740359 UIHGIBMEQOFLBH-QGZVFWFLSA-N 425.510 2.248 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)OCCOCCN2C(=O)c3ccccc3C2=O)cc1 1860405961 ALTFJKDBUVMIDR-UHFFFAOYSA-N 433.482 2.492 30 10 IEEE Cc1ccc(S(C)(=O)=O)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C#N)c1 1860908720 CYNOZYNVZYJTTK-QGZVFWFLSA-N 429.523 2.424 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862634152 UXLBBQUMCKVHBZ-FKIZINRSSA-N 441.436 2.479 30 10 IEEE C=CCN1C(=O)C(NC2CCC3(CC2)OCCO3)=C(c2ccc(NC(C)=O)cc2)C1=O 1863546059 YDFDJNVYXPANMR-UHFFFAOYSA-N 425.485 2.186 30 10 IEEE COc1cccc(-n2nnc(C#N)c2NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1870143540 QLTTVWHFTPJPQB-LJQANCHMSA-N 444.451 2.407 30 10 IEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3cc4ccccc4n3C)cc2C1=O 1870160709 GFZZAZUCASYCMP-UHFFFAOYSA-N 425.408 2.109 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCC(CO)CC1 1870732556 MDRMYXXZJQHVDY-UHFFFAOYSA-N 429.492 2.395 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCCCCC3)OCC(=O)N2C(C)C)cc1 1890051092 TYYZLXIJVNDWCK-DNQXCXABSA-N 441.572 2.368 30 10 IEEE C#CCN(CC(=O)N1CC[C@](COCc2ccccc2)(C(=O)O)C1)C(=O)OC(C)(C)C 2009845393 MCPBCSYAQRXZFD-QHCPKHFHSA-N 430.501 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)O2)C1 2084592772 FSXJHZOTQOECJZ-VQTJNVASSA-N 440.544 2.391 30 10 IEEE CC1(C)OB(c2cccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2134992592 OXRWECWWQWLIQO-RUZDIDTESA-N 436.361 2.353 30 10 IEEE CCN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@@H]1CCS(=O)(=O)C1 2172776727 TVNMTENCNLCTEH-CYBMUJFWSA-N 445.188 2.157 30 10 IEEE Cc1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224102592 OZUHZBYCDTUBCY-IRXDYDNUSA-N 433.358 2.471 30 10 IEEE C[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247836213 YLILYFKNXVDLHK-GFCCVEGCSA-N 437.371 2.428 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255649864 MNUCOCMPXDVURB-NEPJUHHUSA-N 430.232 2.250 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255650099 NPWARGWWEKSKQK-CQSZACIVSA-N 436.362 2.143 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2255695569 HFVSIIKVINXZFT-UHFFFAOYSA-N 433.358 2.407 30 10 IEEE C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256622209 DQQKTCANILEFIF-YOEHRIQHSA-N 434.342 2.049 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1 2256674749 MDACXFVFPSTKGS-OAHLLOKOSA-N 434.342 2.366 30 10 IEEE COC[C@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2256678158 BCFCYVXYUFQREP-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2265850993 GUAVYJYYZFORCM-UHFFFAOYSA-N 448.325 2.359 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267097226 YCUFXVLKCJNZFO-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267138698 ZISPHIVXMQZDGX-RTBURBONSA-N 436.365 2.303 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139364 FNNLDBNNZDTSSS-MJGOQNOKSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)n1 2267179576 RRGONAMJUHSQDI-UHFFFAOYSA-N 448.329 2.450 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2267270939 PEEKNMZVCVIMFQ-UHFFFAOYSA-N 446.353 2.257 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267588185 IRHNIDQWDTXKBW-UHFFFAOYSA-N 446.353 2.088 30 10 IEEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]2C2OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282866009 BXIXLWXAKGWWMR-AWEZNQCLSA-N 443.396 2.190 30 10 IEEE C#CCCN(C1CCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286018284 OLRUXWFBMAHCTB-IBGZPJMESA-N 436.530 2.052 30 10 IEEE COc1ccc(OC)c([C@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)c1 2296615719 JVJIUFKPEUHREJ-FQEVSTJZSA-N 440.500 2.094 30 10 IEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2328729899 GJAHMXLJKKLMLM-UHFFFAOYSA-N 427.486 2.161 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2334263195 QWJBDMOTJSHAFE-RBSFLKMASA-N 446.357 2.227 30 10 IEEE C=CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccc(O)c(OCC)c1 20059138 CVDHRWKLIYGYRO-QTDGGUCWSA-N 432.469 2.289 30 10 IEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(O)c2)n1 20906558 NBVBKVYVLYOLQE-KEBDBYFISA-N 426.458 2.474 30 10 IEEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2sc3c(c2c1=O)CCC3 23405489 FPMPYSLZGWOYKO-LBPRGKRZSA-N 446.598 2.350 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 109942059 UCLVKNSZSBMYDY-GOSISDBHSA-N 429.523 2.424 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCNC(=O)c1cccc(Br)c1 301395901 FRKWYEJEJOOMKC-UHFFFAOYSA-N 437.319 2.200 30 10 IEEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)cn1 431982080 AYEQIBGOIVINTH-FQEVSTJZSA-N 444.561 2.308 30 10 IEEE COC(=O)CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443076211 WMFVMELKQNYOBW-UHFFFAOYSA-N 425.369 2.109 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(c2cnccn2)CC1 460562922 TVXQQXHBJBGVTI-UHFFFAOYSA-N 433.520 2.397 30 10 IEEE CN(CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] 463643843 OXEIYXIURICHTC-SFHVURJKSA-N 425.470 2.443 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(C(=O)NCCN4CCCC4)cc3)cc2)c1N 488404424 PAVBLRSFTQMROQ-UHFFFAOYSA-N 443.511 2.404 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1-c1ccc(F)cc1 527073341 QFQDCZTURQJPDA-UHFFFAOYSA-N 431.851 2.080 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C3CC3)c2=O)c1 538497738 LZAJEAUJZPZYCF-UHFFFAOYSA-N 446.532 2.123 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 549285037 CJZFYUZEUFIOEZ-FXAWDEMLSA-N 445.589 2.082 30 10 IEEE Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)nc2c1c(=O)n(C)c(=O)n2C 609965642 CWJAMLJABFOUAS-UHFFFAOYSA-N 432.465 2.188 30 10 IEEE COCCN(CCC#N)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 610491518 BEDZEFSDBICCQZ-UHFFFAOYSA-N 427.526 2.436 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(F)c1 610758077 OTZGHLJEYDJKRK-UHFFFAOYSA-N 437.518 2.350 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 616429513 MLBXQBAKWKCYOQ-GOSISDBHSA-N 437.518 2.433 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1cocn1 730725240 SBUBLWSAANOYQO-INIZCTEOSA-N 433.453 2.497 30 10 IEEE COc1ccc(CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C#N 747328081 DEYXJXLBMHAEIL-MRXNPFEDSA-N 429.502 2.322 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 757305497 PUQLDHZDKVZAJP-ZWNOBZJWSA-N 449.476 2.330 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cnn(-c2ncccc2C#N)c1 763467386 CTUHDCQPYSFELS-OAHLLOKOSA-N 431.909 2.269 30 10 IEEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 773583766 WZTHBYQYTRXIIM-VDZJLULYSA-N 427.505 2.220 30 10 IEEE CN(C(=O)CSCC(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 787055681 AZTYUIZQKAQNKP-SFHVURJKSA-N 446.529 2.444 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 789246863 YIGPHZWEBWUIQT-HKUYNNGSSA-N 433.553 2.320 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(-c2ccc(F)cc2)c1 789968680 ZNRRWRRVERCDAO-AWEZNQCLSA-N 440.508 2.488 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccnc(OC(F)F)c2)C1=O 790016400 KKGSAHYQINKZNH-FCQRAFMMSA-N 449.483 2.257 30 10 IEEE N#C[C@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1cnc2ccccc2n1 792111575 VGWUXUPJKSDZBO-HTAPYJJXSA-N 425.448 2.282 30 10 IEEE COC(=O)c1c(F)ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 810785028 HJFJBYNDZACTPV-LLVKDONJSA-N 433.461 2.377 30 10 IEEE C=CCC1(S(=O)(=O)NC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 810988209 MCIZOQDTUXYJFQ-UHFFFAOYSA-N 436.349 2.329 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(F)cc1 812875285 PRMYLUVEDRGRCR-TZIWHRDSSA-N 445.516 2.457 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)c1ccc(F)cc1 812937315 XICZHMFPKVSFKT-HXUWFJFHSA-N 430.505 2.403 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 853705568 OSDHTLKHJSPKOY-QGZVFWFLSA-N 443.525 2.205 30 10 IEEE C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)c1 1130902061 IGUSQNZBEUHGML-CABCVRRESA-N 425.407 2.056 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCOCCN(C)C(=O)OC(C)(C)C 1131175637 QCFBUCPPQLPLOK-UHFFFAOYSA-N 444.536 2.150 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CCC(N3CCOCC3)CC2)cc1 1136287666 NQDRMVVCLJQPPF-FLFQWRMESA-N 448.589 2.329 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)c1 1136563373 ZDWOZZWOCICYSU-UHFFFAOYSA-N 425.470 2.029 30 10 IEEE COc1ccccc1-c1nnc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)o1 1138108195 KARQOLUQXUERHS-HIFRSBDPSA-N 427.461 2.163 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC3(OC)CCC3)C(=O)OCC)ccc2c1=O 1144912929 IZQPNQDVDLVTFU-KRWDZBQOSA-N 445.541 2.492 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)OC 1155780013 WWLBWYPCZIZSIE-RBUKOAKNSA-N 445.516 2.464 30 10 IEEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1198414157 DSYBPTWDZAGDNG-NRFANRHFSA-N 431.602 2.439 30 10 IEEE C#CCN(C)CCCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1251527969 AQEBKVKNOLBVMD-ROUUACIJSA-N 442.457 2.327 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1255350808 BJSBSGFNHYFRMJ-UHFFFAOYSA-N 449.621 2.272 30 10 IEEE COC[C@H](NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[C@@H]1CCCOC1 1255499145 RNTPGBYTIMNXCF-UTKZUKDTSA-N 440.548 2.308 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC(O)CC1 1286271995 XQWBYHBEXUDIBP-LJQANCHMSA-N 438.576 2.452 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1286277872 IMFMXAKEBQOBNH-ZIAGYGMSSA-N 438.623 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCc1ccc(OC)cc1 1286297007 UIIRUFAKYHENPC-PKOBYXMFSA-N 446.573 2.254 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(N(C)C)CCSC2)CC1 1286478266 BCALUOVODIXRAM-XMMPIXPASA-N 438.645 2.370 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286541075 GOJZCCRNSMNZHY-BPLDGKMQSA-N 445.383 2.093 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286549691 YMHQGVDGRHVNGX-MJGOQNOKSA-N 439.564 2.203 30 10 IEEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286674240 CACQAULXPVYQPD-IBGZPJMESA-N 443.548 2.419 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OC)C1 1286829046 VCCJOOUMBFNQJS-OAHLLOKOSA-N 436.607 2.383 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1286967851 HTLRPMYIKJLDCH-WBVHZDCISA-N 440.529 2.479 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300336862 PGRSMAXPWZPOIV-NRFANRHFSA-N 435.594 2.015 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1300683148 WZEVLIUOBKHZSC-VQTJNVASSA-N 443.640 2.072 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1301000712 XPKNFUAIDUEHNI-QHCPKHFHSA-N 444.532 2.454 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301216095 BSHIHHDOXJYAIA-CQSZACIVSA-N 428.518 2.183 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301258070 KHUQTQWBVSALCF-RBUKOAKNSA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2CCCC[C@H]2C1 1301515350 SQMMRUMKULFRFZ-FQEVSTJZSA-N 438.576 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1301542758 FNVFZWWUUWAJGA-JTSKRJEESA-N 445.568 2.106 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC(F)(F)F)C1 1301547385 ZFNIOWBICPHRDU-MRXNPFEDSA-N 439.438 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1301568741 XGZOMFKFHSBPHB-HZPDHXFCSA-N 441.598 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nc(C)cs2)CC1 1301569169 RVWCVYVPKXANCY-HNNXBMFYSA-N 438.623 2.484 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301651799 GEWNVYYSRYTTMQ-LJQANCHMSA-N 426.521 2.070 30 10 IEEE Cc1nnc(CCn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 1304779922 LRICOTLVYRAGBP-FQEVSTJZSA-N 431.566 2.461 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305136642 QEEAYBMTQIHYMR-TVLZRCRESA-N 442.442 2.084 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@H](C(F)(F)F)O1 1305153398 CHEVVKRQHDJQOE-APHBMKBZSA-N 434.422 2.251 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1314515298 FWWJOZRQOQIPTF-KRWDZBQOSA-N 441.561 2.363 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)C1 1315108899 SAAKYMMTDDJKAQ-OAHLLOKOSA-N 437.456 2.378 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCOC3)nnc2N(CCC#N)CC2CC2)cc1 1316335028 FJSFSTCIVBENQL-SFHVURJKSA-N 429.546 2.364 30 10 IEEE N#Cc1ccsc1-c1nnc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 1323935518 YFGCQMKPKJMXPE-UHFFFAOYSA-N 430.511 2.476 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1326873827 OISPDKVDIWFYFE-UHFFFAOYSA-N 430.533 2.369 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1358886389 CSMXAIGBTHHDBC-QGZVFWFLSA-N 449.559 2.287 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCCn1cc(Br)cn1 1358897201 VIFSMSXMGABUJM-OAHLLOKOSA-N 448.369 2.298 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1358928262 YFAGCNOQDUAHIA-CQSZACIVSA-N 425.518 2.379 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC(C)(C)C1 1358941420 JRRAQBDOWRVTAO-UHFFFAOYSA-N 443.548 2.151 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC(O)CC1 1358952493 NACYDQPZNNHISS-UHFFFAOYSA-N 447.587 2.214 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359048440 QUJCAOADGPTPQI-INIZCTEOSA-N 436.545 2.019 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359054584 AHXGGCJZYNSGMC-OAHLLOKOSA-N 429.550 2.205 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)CC1 1359062828 UZTGSPHIFOXHCC-RTBURBONSA-N 435.638 2.332 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1359069736 WNHYNOYUJLLUEK-YQWIOWDRSA-N 425.558 2.148 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1359189727 SSXMOPKAWQMYJD-IAGOWNOFSA-N 425.599 2.450 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1359263302 XOWLDLRCNDGOTE-IEBWSBKVSA-N 444.605 2.452 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1359295710 LNRGQIYOHOSWGB-UHFFFAOYSA-N 448.930 2.487 30 10 IEEE Cc1cc([C@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1361003434 USHIDYPKRCWHEJ-LAUBAEHRSA-N 442.545 2.480 30 10 IEEE Cn1c(CO)nc2cc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)ccc21 1441136166 KKWPHJIUERGCCY-UHFFFAOYSA-N 429.484 2.068 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)/C=C\c2ccccc2)c1 1448193195 GQZDWEZRKCEXIE-YFHOEESVSA-N 429.473 2.072 30 10 IEEE COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1462494151 QKCNGNZRRHGZRB-IRXDYDNUSA-N 425.526 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](CN4CCOCC4)C3)C2)C1 1467501275 OBBXVTVNTZZDPH-ADNNVIORSA-N 446.592 2.344 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1469871797 GPMPZWQWGCXRGT-PMACEKPBSA-N 447.582 2.150 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 1471040730 DXXCHRLDOXNTNX-MAUKXSAKSA-N 443.529 2.045 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(CCC(F)(F)F)CC(=O)OC)ccc2c1=O 1472531130 JBWSLBDAKLEXSX-UHFFFAOYSA-N 429.420 2.439 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1473619454 CZQPAPCTQXTCHM-OAQYLSRUSA-N 444.557 2.193 30 10 IEEE CC(C)(C)OC(=O)[C@H]1COCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1473641539 SPJFGZRJMUSABU-QGZVFWFLSA-N 426.435 2.216 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)C1 1503677203 FQRPNRWGSYVZRF-LIRRHRJNSA-N 437.331 2.047 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507561815 DHICNRJLLWVGCY-KRWDZBQOSA-N 426.546 2.090 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C(C)C)N1CCOCC1 1507609591 BFHOKYJLNZSKIW-IBGZPJMESA-N 427.549 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN(C)C(C)C 1507656738 JSBHJQPUPAVZTE-UHFFFAOYSA-N 432.572 2.362 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCC[C@H](O)C1 1507708101 HQGXJEAWBURQLE-MJGOQNOKSA-N 426.517 2.353 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1C1CCCCC1 1507712730 NKYOAHYEZCJMNB-UXHICEINSA-N 428.581 2.112 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)ccc2SC)CC1 1507725600 XMXZVYXFHBMJKF-UHFFFAOYSA-N 425.537 2.343 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1)c1ccccc1 1507850741 ADWOYUWPTQHQQF-HLIPFELVSA-N 445.589 2.417 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)COCCO2)CC1 1507877101 BADUNJHQGZKIFW-NRFANRHFSA-N 432.546 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1508140865 QUFQXLZUJVEPEZ-INIZCTEOSA-N 434.566 2.120 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1508141455 NANCAVSZEFEBMJ-SJLPKXTDSA-N 448.593 2.020 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509764000 VAIQXPZLKGDKTP-UHFFFAOYSA-N 435.463 2.144 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1510584925 OFVJUYMARRKNBE-YADHBBJMSA-N 426.496 2.394 30 10 IEEE Cc1nnc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)s1 1511751277 WBZXFKPUEHMCET-ZDUSSCGKSA-N 431.472 2.279 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H]1C 1515817081 BDEVCIJJZGOLSF-ZWKOTPCHSA-N 439.564 2.174 30 10 IEEE CC[S@@](=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1516874543 SPJXFQKQXAXEGY-WJOKGBTCSA-N 441.605 2.373 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C)nn1C 1518021895 GMAFLPABIYBPJV-MRXNPFEDSA-N 427.896 2.426 30 10 IEEE COCc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1518812570 GRALKDJLPJLDCL-NFBKMPQASA-N 441.532 2.242 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539190551 MJDZLFKLNJMEHC-IAGOWNOFSA-N 430.553 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1539256959 BKJHVTKDSOBWLH-HXUWFJFHSA-N 428.496 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N(C)C)CCSC1 1539333664 JQYHHHSCKJYTIW-JOCHJYFZSA-N 425.606 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCCN1CCC(O)CC1 1539334319 ZLOFFTKBIXYLBF-UHFFFAOYSA-N 435.572 2.475 30 10 IEEE Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(I)n1 1539378906 FZMNZVXGIKOZAN-HNNXBMFYSA-N 435.269 2.047 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1539409337 XPTNXUWSNGPYPJ-MRXNPFEDSA-N 431.541 2.020 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-c3ccsc3)nc2)CC1 1539427308 AFMBLDUNSGZEQZ-UHFFFAOYSA-N 449.584 2.343 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539437434 ABLWKGUXBRBNMU-OYRHEFFESA-N 447.587 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCOc2ccc(Cl)cn2)CC1 1539477538 PXUXHQVZEFUCIU-UHFFFAOYSA-N 428.924 2.249 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)NCC)CCC1 1539533753 GYFOXYAGZFCBNC-JOCHJYFZSA-N 435.532 2.224 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccn2)CC1 1539606301 COSHHAHGVQNICU-UHFFFAOYSA-N 446.353 2.031 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539772191 FNPFYZCSUHXTQN-KRWDZBQOSA-N 435.960 2.359 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1)C1CC1 1540107914 FWVFZEFXEUFBNF-DLBZAZTESA-N 441.623 2.052 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCc3sccc3C2)nnc1[C@@]1(OCC)CCOC1 1540876368 OYQCCNPBYRCZCH-OAQYLSRUSA-N 431.562 2.247 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)cc1 1541114053 AULHUQZUDWLGHG-JJIBRWJFSA-N 441.469 2.095 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCOCC1 1541152926 OJBPLOYFBNRCNM-UHFFFAOYSA-N 439.564 2.223 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)OC 1555248968 JPAPQLCWBZBMFI-UXHICEINSA-N 440.548 2.219 30 10 IEEE COCCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555463221 XQHCKQRMWYKSCY-IBGZPJMESA-N 425.537 2.192 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1557894596 CXGHNNMJHGGINR-HNNXBMFYSA-N 432.525 2.484 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(CCCC3(C#N)CCOCC3)CC2)CC1 1560014535 WPBICBQQMMSFIO-UHFFFAOYSA-N 449.596 2.377 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CN(C(=O)OCC)C[C@H]2CO)cc1 1562265110 RHRMVFVODRBFJR-HKUYNNGSSA-N 430.505 2.072 30 10 IEEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)NCCn1cnc(C#N)n1 1564723608 CNTUSQRVONEGGC-UHFFFAOYSA-N 427.509 2.276 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 1565346421 PEIVZNVCBPFCOV-HRCADAONSA-N 432.487 2.429 30 10 IEEE N#CCC(=O)N1CCN(C(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 1566317789 IZQXPMKKGAFCAS-FQEVSTJZSA-N 435.484 2.163 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C)c1cc[nH]n1 1570575863 MHTWGDTWYDPXCA-OAHLLOKOSA-N 436.509 2.197 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1587638500 FRFVWYAMNSEFNE-QUCCMNQESA-N 429.590 2.160 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)cc1 1587683147 CHDONYLGUCYRNO-VCOUNFBDSA-N 439.560 2.345 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588050106 PBISDMOYMWKXEG-INIZCTEOSA-N 427.530 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cccnc1OC 1588079405 VYDDVUATFQAQFO-UHFFFAOYSA-N 448.914 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)cc1 1588140149 UKQBVTKGZYCYKS-FQEVSTJZSA-N 439.585 2.148 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cnnn1C 1588604376 IFTJOABCPFFDRX-UHFFFAOYSA-N 444.337 2.279 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@@H]1CC 1588994412 VJIIYMAICSGDKF-AWEZNQCLSA-N 437.367 2.117 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1589427617 SFXCGNAJCVBSGW-NSHDSACASA-N 425.356 2.209 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)C1 1589504742 JEBRMQZNCFMSGC-HRAATJIYSA-N 441.532 2.222 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1593746439 FHDMCMHXPXSUDV-KRWDZBQOSA-N 449.533 2.318 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(CC(F)F)C2)cc1 1596419942 HIOFSDZOKFWCAC-CGUCZKFASA-N 428.505 2.415 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1C 1612107550 WJZYRASVVMDDHM-XUTLUUPISA-N 449.515 2.274 30 10 IEEE CN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1617615653 DEXIQEJSANZZPD-UHFFFAOYSA-N 427.528 2.292 30 10 IEEE COC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]([C@@H]2CCCO2)C1 1620605227 CTSIYGLAKNEBKL-UXPWSPDFSA-N 437.500 2.115 30 10 IEEE Cc1cc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc(C)c1C#N 1625807719 JUSDJUVIXAEXAU-KRWDZBQOSA-N 435.546 2.329 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 1626560092 KKVPAJKMKVJLMP-BQIYRTECSA-N 445.988 2.408 30 10 IEEE C#Cc1cccc(CNC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1636158633 UYFXTBMQKBOWIJ-GOSISDBHSA-N 427.501 2.219 30 10 IEEE CC(F)(F)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1636177386 KNTOJBVFZNQGDF-UHFFFAOYSA-N 442.532 2.085 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCSC[C@H]2c2cnn(C)c2)ccc1F 1636224444 PUCSTUYONWSGEE-KRWDZBQOSA-N 438.550 2.344 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1ccc3ccccc3c1)C2 1636714466 UMJXBTADRXWTIF-UHFFFAOYSA-N 426.523 2.218 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1 1636915635 JWORCZGVPAMJFB-LJQANCHMSA-N 429.517 2.078 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 1638032963 DIHJFEWPKMWJPE-OAQYLSRUSA-N 425.510 2.217 30 10 IEEE CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1639049855 MGDMSFWTVIBSFR-FQEVSTJZSA-N 437.496 2.418 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)C1 1640222349 XGQDQTIFTZBSRW-MVBMGLOESA-N 428.533 2.261 30 10 IEEE CCON(CC)C(=O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1640574202 VGDCXHUZSPBMIW-IBGZPJMESA-N 430.505 2.309 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1643794270 ZMEGKQSYJJJBOE-CYBMUJFWSA-N 435.916 2.057 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3(CC(=O)N4CCOCC4)CCCC3)C2)nc1 1646094715 ANVVYTQEBPGVJD-LJQANCHMSA-N 425.533 2.165 30 10 IEEE CCO[C@]12CCC[C@@]1(NC(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1646525938 HAWXWFQMFFROMD-YADHBBJMSA-N 449.573 2.478 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)c1 1670518830 VLJYVEBKAOHJJM-UHFFFAOYSA-N 435.546 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)nn2)C1 1675841395 WEMJUYFLKKYIMH-UHFFFAOYSA-N 437.504 2.430 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)CC1 1679265979 HJYWKDOTOWSEEI-SFHVURJKSA-N 426.970 2.222 30 10 IEEE C#C[C@H](NC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1)[C@H]1CCCO1 1681815994 BRPWCUCDHZDGSB-JKSUJKDBSA-N 437.290 2.321 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCC3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)CC2)c1C#N 1685039399 AUUJPCDCVPBLGH-IRXDYDNUSA-N 446.577 2.268 30 10 IEEE C#CCCCCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689906549 NTVDWKYSHDGBLD-NZQKXSOJSA-N 431.581 2.427 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 1690113977 ZHLRAVKLAQQRPU-DEOSSOPVSA-N 439.560 2.051 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690313560 XKHYTCFFGSYNMP-UHFFFAOYSA-N 441.580 2.280 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690511160 RIFPSTUCQAIGMT-LJQANCHMSA-N 442.568 2.043 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1690672872 GOOHGKKSYDLODW-UHFFFAOYSA-N 442.539 2.053 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCCCS(C)(=O)=O)n1 1693420308 HEKKOKJGXTZFTN-UHFFFAOYSA-N 433.582 2.095 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696740655 ALCVYXPAZGLWLT-BZHIBMDNSA-N 440.548 2.491 30 10 IEEE COc1ccc(CCc2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1697396509 JXKMKJBWYPMING-QURGRASLSA-N 436.516 2.197 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1705542405 FVSDVQVXFQKZNY-HSZRJFAPSA-N 425.533 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CSCCS1 1705595887 KBPROXUWXLOXQM-OAHLLOKOSA-N 429.571 2.317 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760880 VCAVBASLVJEPIQ-NHCUHLMSSA-N 439.988 2.372 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1705792154 NXAWNJSINDJGCY-SJORKVTESA-N 425.599 2.450 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CCN(C)C)CC2)C1 1705924310 BWUAVOIAELZJRG-FGZHOGPDSA-N 446.640 2.227 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCC2 1706462175 BEAUAPSGUYJWLF-UHFFFAOYSA-N 448.535 2.278 30 10 IEEE CCSCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1710962561 VALUXOQFKAXTSC-OAHLLOKOSA-N 439.545 2.064 30 10 IEEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)C1=O 1711271547 WKELXQGNDZRLQC-BFUOFWGJSA-N 435.315 2.459 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](c1ccccc1)N1CCOCC1 1722341515 HWDKKPVQYJHKOM-OAQYLSRUSA-N 438.576 2.339 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722363809 VSMWKOOASAGAOE-MRXNPFEDSA-N 444.948 2.007 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN2CC)CC1 1722438829 DBOUMXZZDIPTEH-SFHVURJKSA-N 428.531 2.387 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722609289 UZZDWLILVMAIFP-QRWLVFNGSA-N 437.541 2.092 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1722741655 SKTROCJAGCWMSG-LJQANCHMSA-N 429.590 2.318 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1722869952 SBPNXGMPRALWHJ-IRXDYDNUSA-N 448.568 2.487 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1CCCCCCO 1726646863 YDDSRROLTFRSCV-GOSISDBHSA-N 447.547 2.270 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC[C@H]1CCCCO1 1727602659 FYNRTWSESAHIIV-GOSISDBHSA-N 426.569 2.430 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CCO1 1730585445 BCDUNVHUNKKJGN-PZJWPPBQSA-N 441.532 2.112 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1730788178 ARKVSGVQXRZOET-UHFFFAOYSA-N 425.581 2.173 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC[C@@H]2COCCO2)c1 1740563329 SITZVJCBPDYKIA-LJQANCHMSA-N 434.500 2.135 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1COc2ccccc2O1 1740631504 JVKAGHLFOAWNHE-NTKDMRAZSA-N 436.512 2.232 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC[C@@H]2C)CC1 1740691896 BYEQIJYUDVGROM-JKSUJKDBSA-N 447.381 2.464 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740748375 FFNCPCZSDSGJLF-HNNXBMFYSA-N 428.375 2.413 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1740761342 NASIKJPLPIEWMK-LNLFQRSKSA-N 438.594 2.167 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740783291 CKIVMZSGVXADBS-KRWDZBQOSA-N 442.568 2.366 30 10 IEEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740848733 QKDIDKBZXQKLCK-UHFFFAOYSA-N 428.581 2.419 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1740899489 CIZCRARJJOLSQB-LJQANCHMSA-N 433.578 2.256 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C 1740960472 SHAZRMHQVFRJDF-QGZVFWFLSA-N 449.552 2.037 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1740964447 BZFZEHCEDIPCRT-IBGZPJMESA-N 445.486 2.401 30 10 IEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1743882959 OZIDCVYTQMMLHR-LSTHTHJFSA-N 438.532 2.435 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1744688839 FZKZFHYEZJEHPM-OXQOHEQNSA-N 428.512 2.229 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1747666137 NLOLURILNQJVKP-KRWDZBQOSA-N 437.548 2.082 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCCS(C)(=O)=O 1748681360 AMPSDJBRYOWEFW-KRWDZBQOSA-N 428.562 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC=C 1748684926 RBKSTWPFYJXFBD-CQSZACIVSA-N 432.322 2.380 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C1CCCC1 1748773654 ASFWSDIWZOEDSK-UHFFFAOYSA-N 443.621 2.490 30 10 IEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCN(C)CCCOC)CC1 1748986697 HEYNPGCJMKKVSK-UHFFFAOYSA-N 435.576 2.150 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCCC2)CC1 1749001092 HYDNSSMFEDUXOB-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1749251307 BRFBFXSLDCWVKZ-CYBMUJFWSA-N 442.929 2.228 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749370739 QLKQXEYNJFLTGM-GOSISDBHSA-N 449.563 2.398 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749434508 VLRVYUIQBRUKHL-JKSUJKDBSA-N 428.562 2.293 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OC 1749598242 UHWLQQARLQMIMF-UHFFFAOYSA-N 426.521 2.256 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1749651585 YJXDUTOMGGORFC-CALCHBBNSA-N 442.951 2.256 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1749670899 WMXPNUDXCSYKJO-CVDCTZTESA-N 425.533 2.228 30 10 IEEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1750592508 FFXVIQNMMHISDM-IPJJNNNSSA-N 448.637 2.431 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1760189010 FKXYHMXARORPHV-FQEVSTJZSA-N 425.558 2.391 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C2CC2)N(C)C)CC1 1760264523 RGUSEWMFMZDDRD-FQEVSTJZSA-N 426.540 2.092 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)[C@@H]1C 1760285949 WSHQPPPZOYJGAV-KRWDZBQOSA-N 443.573 2.289 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760321277 DNJUJWVRRFNPBT-XLIONFOSSA-N 439.626 2.318 30 10 IEEE C=C(C)COCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760361702 PVLNJWKWGKOIPJ-XXBNENTESA-N 447.580 2.113 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C 1760440413 JJJICKXSUUJERW-UHFFFAOYSA-N 426.569 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[C@H](OC)C1 1760556679 MQALVZBCIUWNSL-WMLDXEAASA-N 439.607 2.096 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760569406 NREUAZCWKRDFEU-GOSISDBHSA-N 438.557 2.459 30 10 IEEE Cc1nnc(N2CCC[C@H](CN3CCCC[C@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762584535 YVQQSDFZFRQFBE-WLSHBCHJSA-N 441.580 2.204 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c(N(CCC#N)CCOC)nnc2C(C)(C)C)ncn1 1767837205 ARXMMZFLZHUZAI-QGZVFWFLSA-N 441.584 2.443 30 10 IEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)(C)C 1768083952 HHVANOIERMDAKB-MOPGFXCFSA-N 437.548 2.434 30 10 IEEE CO[C@]1(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1768239829 OBYJCHXGBDYDIS-FDFHNCONSA-N 433.553 2.254 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1768936430 SRHJANYMSXMTTP-QGZVFWFLSA-N 428.537 2.232 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCC(C)C)CC1 1769345002 ABBCTLFJKVHCAP-QHCPKHFHSA-N 439.564 2.465 30 10 IEEE COc1ncc(C(F)(F)F)c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)c1Cl 1851460397 NUKOZWOTJRJOFD-UHFFFAOYSA-N 426.786 2.386 30 10 IEEE Cc1cc(F)ccc1-n1nnc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1C 1853031339 QJKRGEXSIUUOJS-UHFFFAOYSA-N 449.490 2.269 30 10 IEEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636412 VMJUXUTXIOGAIG-DZGCQCFKSA-N 425.457 2.132 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1 1856263695 WXFJOBTZSHHUML-HNNXBMFYSA-N 445.928 2.343 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CC)nn2CCC 1865225280 NPSFGGZVDZJQNK-IBGZPJMESA-N 438.528 2.318 30 10 IEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871512030 XNCPYDRZKWNBLK-UHFFFAOYSA-N 437.939 2.135 30 10 IEEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873595114 PBFINZRXMKHERQ-UHFFFAOYSA-N 433.560 2.235 30 10 IEEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874274039 OHXCSSYESCKDRC-QHBIDGPYSA-N 444.561 2.251 30 10 IEEE CCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Br)cc(OC)c1O 1874526320 LPPJRWMRYSKIJA-REZTVBANSA-N 429.296 2.465 30 10 IEEE CC(C)N(CC#CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C 1890389714 LBEYZEKPLPUUGN-UHFFFAOYSA-N 425.620 2.387 30 10 IEEE C[C@@H](C#N)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994711915 GKMWMCXUJZZLPY-PKOBYXMFSA-N 436.578 2.187 30 10 IEEE Cc1cnc(NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224093043 FETQSSDNQALWJV-UHFFFAOYSA-N 433.358 2.473 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247907493 CURXEPSFLAHJNF-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441355 LPAZKSSDEGDBCU-STQMWFEESA-N 437.371 2.219 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255628451 IHPGIIAJINMONR-UHFFFAOYSA-N 432.330 2.006 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255697945 FCNCCAUMUZKKJR-PEBXRYMYSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C2)C1 2255706534 KGLFLNCSCHTLJU-UHFFFAOYSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255812658 OGTRRTOQSDBGHB-IHRRRGAJSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255828415 SZVMWCVHIXWKKZ-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE Cc1cc(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2256675431 QUDPYGUOLRDZEE-OAHLLOKOSA-N 434.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2267090414 CQBIOYMILSWSAG-CQSZACIVSA-N 446.357 2.371 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)OC1(C)C 2267092556 WZOJZFPXSFWYPE-IAGOWNOFSA-N 446.307 2.204 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2267126118 JXZCHMGZABGHEO-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130717 RBVAGYVZVVDSIU-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267148309 XWOYQEBYUQGQTB-OCVGTWLNSA-N 446.357 2.131 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267178088 XJUSRVXSGQIQKT-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267224025 NHKRUNMOMUMLLI-CHWSQXEVSA-N 441.259 2.052 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267265185 BMNYUEDQRQDKEQ-QZTJIDSGSA-N 446.353 2.350 30 10 IEEE Cc1cnc(C(=O)N(C)C[C@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2267581112 NKWVMFFJHPDRNP-IBGZPJMESA-N 440.349 2.339 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268642567 TUSAHAJCIDRSGS-UHFFFAOYSA-N 446.353 2.104 30 10 IEEE Nc1nonc1C(=N/OCc1ccccc1)/C(=N/OCc1ccccc1)c1nonc1N 2295355914 XLLQVKUQKTVHPA-REPVBDINSA-N 434.416 2.159 30 10 IEEE C[C@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2319290312 FIQFSONBLNUSDM-OAHLLOKOSA-N 446.334 2.045 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccco1 2327828283 OWLVUMUPCCDKRR-AWEZNQCLSA-N 432.550 2.486 30 10 IEEE Cc1ccc(Cn2c(=O)c3c(nc(NN=Cc4cccc([N+](=O)[O-])c4)n3C)n(C)c2=O)cc1 2328610460 ZZGXOVMVCVSGHL-UHFFFAOYSA-N 447.455 2.145 30 10 IEEE CC[C@@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN(C(=O)OC(C)(C)C)C1 2337195239 WCOUIBYGRWRTAA-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CC2)cc1 10453508 XQMFHPDLMXGXKF-LJQANCHMSA-N 431.901 2.048 30 10 IEEE COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1N=C(N/C(N)=N/c2ccc(C)cc2)N=C1O 40376556 MBCADTXYJXDVOA-OAHLLOKOSA-N 439.432 2.171 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1)NCCO 59816210 HDIXGPLLKJGCIU-WSDLNYQXSA-N 426.502 2.030 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472644 NLMIRAMAIUGPSL-APWZRJJASA-N 443.463 2.419 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc(Br)cc(OC)c2O)c1 169903664 MPVYKNGBCOYPHE-GIJQJNRQSA-N 445.291 2.493 30 10 IEEE N#Cc1ccc(C(F)(F)F)nc1N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 301247401 BDLZBPWGEXMQMF-UHFFFAOYSA-N 436.419 2.359 30 10 IEEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1[N+](=O)[O-] 429909332 JOLPWNSTDNTLSJ-UHFFFAOYSA-N 442.497 2.277 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CO)c2cccc(Br)c2)c1 443504917 ZGEQJUUOJHEOMD-KRWDZBQOSA-N 439.331 2.377 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cn1 462100958 WRQWZDCVFSQYRL-FQEVSTJZSA-N 445.483 2.369 30 10 IEEE CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 464767663 WNRKPZODQJBNDO-IBGZPJMESA-N 427.524 2.432 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 468793253 BPQJZMGRLQWUEK-PXNSSMCTSA-N 439.487 2.299 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 472949562 HDJNWNSAALSZFY-SWLSCSKDSA-N 433.452 2.231 30 10 IEEE Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1C 478147410 XHTHVSBWYZDHOA-UHFFFAOYSA-N 444.532 2.400 30 10 IEEE C[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCN1C(=O)c1ccccc1 489183352 MPHOVTVJCNSJBA-SQJMNOBHSA-N 430.508 2.470 30 10 IEEE COc1ccc([C@H](CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)NC(C)=O)cc1 504145001 RHUCOZHCSURDPO-YADHBBJMSA-N 434.496 2.446 30 10 IEEE COc1cc(CN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc(OC)c1 504743005 ZEVSQDLCSIEEBB-HXUWFJFHSA-N 436.468 2.439 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 506208690 IUHLARCFEDBMJC-HSZRJFAPSA-N 428.533 2.103 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 508897366 WYOTVTOQYBDBPT-UHFFFAOYSA-N 426.569 2.006 30 10 IEEE CCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516373048 FPQAKFKMVGCWHL-UHFFFAOYSA-N 448.548 2.482 30 10 IEEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@@H]2CCCO2)c1C 524107361 AZONFPOVETWKCJ-IBGZPJMESA-N 445.544 2.487 30 10 IEEE CCn1c(=O)c(C(=O)CN(CCC#N)CC(C)(C)C)c(N)n(Cc2ccccc2)c1=O 533290247 WJCQDZAIZRTGNX-UHFFFAOYSA-N 425.533 2.105 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C1CC1 588154183 CQSFCFWZFJAHNC-CYBMUJFWSA-N 440.521 2.143 30 10 IEEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 614902412 AGXBRHZOMRJSTM-KRWDZBQOSA-N 426.538 2.216 30 10 IEEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 670234587 NRWWKLCNPGTHDG-WIYYLYMNSA-N 425.581 2.239 30 10 IEEE C#CCN(C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 729330526 FNQITEDBKNPCNS-JZXOWHBKSA-N 433.530 2.340 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F)C(C)C 744429851 RANYOKAFJAVZCK-MSOLQXFVSA-N 438.569 2.496 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2c(Cl)nc3ccccn23)C1 758642669 FLKJUKKQVLSLEN-NWDGAFQWSA-N 425.898 2.025 30 10 IEEE C#CCCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 758652779 IOVCQWQERWKLOT-IBGZPJMESA-N 444.557 2.218 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CCNC(=O)N2CCc3ccccc3C2)CCCCC1 760401097 RVMAJFWUXCFGAC-UHFFFAOYSA-N 432.546 2.064 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CCC2=O)cc1C 760541833 JFHYBEDGFKZQJP-MOPGFXCFSA-N 432.528 2.445 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 779598973 UVBRKSKGPYUUPY-UHFFFAOYSA-N 436.493 2.467 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)n1 789051331 BZEIPDBKMLIWSJ-MRXNPFEDSA-N 438.488 2.494 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)sc2c1CCCC2 798746610 XDOQEUOUYVENPO-NWDGAFQWSA-N 445.501 2.398 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 812179103 JHLPCQOBVZNBHC-IAGOWNOFSA-N 437.541 2.014 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812393571 PKYZGCBDKJJXQQ-IRXDYDNUSA-N 439.541 2.090 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(C3CCOCC3)nn2C)c1 1125126158 PMTJMVYQJVRDQM-HIXSDJFHSA-N 445.545 2.379 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1129628277 VCTWGOAPJNFKBG-HXUWFJFHSA-N 445.585 2.326 30 10 IEEE CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1159703575 BLVSQWODGDBVMO-IBGZPJMESA-N 443.935 2.233 30 10 IEEE COC(=O)[C@@H](Cc1cncs1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1197542672 MSXZWXDHIXNXBE-MRXNPFEDSA-N 425.432 2.004 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1286450449 GQIUSMYTPWKADA-GHVJWSGMSA-N 448.527 2.460 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)CCC)CC1 1286473067 OEGIYFFMHBLXNE-IBGZPJMESA-N 435.370 2.342 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286499475 LYKAXVAIHWOYGZ-IBGZPJMESA-N 425.558 2.139 30 10 IEEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286702900 TZDYGNLSCOSTMQ-GOSISDBHSA-N 426.496 2.447 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286763891 XTLCIWOBHQNFKF-QFIPXVFZSA-N 442.541 2.323 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnnn2C)C1 1286803484 IODIOTCGUPGSSL-HNNXBMFYSA-N 447.341 2.004 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CCC)C(=O)C1 1286831044 SIJXNFNDYTYZJX-UHFFFAOYSA-N 446.577 2.374 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cccn2)CC1 1297981596 CANGSRPGXXKBJL-UHFFFAOYSA-N 432.532 2.408 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F 1300284658 URHGNYBOEGAPGX-AWEZNQCLSA-N 426.489 2.478 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1300412240 ZPPQNABVYOOCGT-QUCCMNQESA-N 444.557 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1300889861 RSSRJRRVZLXGCX-QTEQDKRBSA-N 440.592 2.402 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C 1300895934 CFJGIGVGUGJJES-ZCNNSNEGSA-N 444.624 2.300 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1300979922 ADQBDIYHSOOQHW-IBGZPJMESA-N 441.532 2.414 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1300994364 RGRXGAJMRYXFIA-UHFFFAOYSA-N 427.549 2.065 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C#N)C1 1301482299 UPVGMLZFYNMDQB-FQEVSTJZSA-N 445.527 2.384 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301491656 MVRRDZRKMNQSHN-JOCHJYFZSA-N 429.496 2.161 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC2CC2)CC1 1301759753 OXKVXMRXVCTKQL-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCC1(F)F 1301808893 HOKTUKURWDDWCW-CVEARBPZSA-N 445.536 2.372 30 10 IEEE COCCOCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1302211477 JJYODJVNJPKIGK-NRFANRHFSA-N 431.468 2.211 30 10 IEEE COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 1303383477 GGOYNVDAXNJPPD-PEBXRYMYSA-N 437.500 2.406 30 10 IEEE Cc1cc(CN(C[C@@H](O)COc2ccccc2C#N)C2CC2)cc(S(N)(=O)=O)c1C 1307893555 ABLDWDIDMAVEBF-HXUWFJFHSA-N 429.542 2.227 30 10 IEEE COC(=O)c1nc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1Cl 1312469431 LCWDARNPTUVDHA-SMDDNHRTSA-N 437.884 2.080 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313952802 HJHHKPUZSVNPDA-GCJKJVERSA-N 426.544 2.056 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1316025666 MNBIBEUUXJSPKE-GOSISDBHSA-N 447.561 2.026 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1343379607 WFVMJGDWVFKRGB-GOSISDBHSA-N 426.546 2.101 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1358896437 DAXLUQAKDUBCDG-UXHICEINSA-N 439.560 2.427 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1358964638 CQSFBAFVYDWCGC-QBUQCISBSA-N 428.558 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1358973941 LFYJLUBGIXPCHJ-DEOSSOPVSA-N 435.528 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1358973942 LFYJLUBGIXPCHJ-XMMPIXPASA-N 435.528 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC 1358994401 MJLDCDJSJSDAFP-IBGZPJMESA-N 445.564 2.476 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=C)Cl)CC1 1359031028 NXUMFUWJUZSXDQ-UHFFFAOYSA-N 431.924 2.479 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359060382 UCONZSRJNZWUIV-QFIPXVFZSA-N 425.558 2.125 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1359060402 UPZUMSIZEKTMAO-IBGZPJMESA-N 427.574 2.153 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359104611 DHXYZQFNBGPAJP-PNQHUFSXSA-N 447.580 2.002 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359120973 OTJQELQTCNFVDN-MRXNPFEDSA-N 430.459 2.046 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359310552 ZDJRYIORQKRVSP-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE C=CC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1436237619 DZQJBTKVDTVSBK-UHFFFAOYSA-N 431.352 2.412 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CC[C@@](O)(CC#N)C1)C2 1452255028 XGJJWNQCEVWKGK-AOMKIAJQSA-N 431.489 2.247 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC(F)(F)C3(O)CCCCC3)C2=O)cc1 1457053404 SLOYXWWQAGGTBE-INIZCTEOSA-N 434.443 2.210 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 1464274439 VFOZTJKYKBNDNB-SMKFHGBISA-N 426.498 2.313 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CCC(C(=O)OC)CC1 1466089337 UKKAUFXUDRACIP-DMAKZNTKSA-N 446.928 2.414 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)C(=O)OC 1468874788 DAKBSTHQOBKCDQ-BBRMVZONSA-N 426.922 2.055 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 1469876328 FDIJEWPPBFVNLX-INIZCTEOSA-N 433.892 2.349 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)s1 1470574122 NIYHPWLDJPOIOP-CABCVRRESA-N 430.452 2.377 30 10 IEEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)C1 1471823440 PONPUOIBUYMGDL-UHFFFAOYSA-N 431.352 2.289 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1472143627 UWZVAWXWLZXPQY-PBHICJAKSA-N 439.946 2.056 30 10 IEEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1Cc1ccc(C#N)o1 1499195344 BDLGITHAGVXNRP-UHFFFAOYSA-N 440.529 2.173 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1503249094 YLCOSPWULBUOJY-INIZCTEOSA-N 439.488 2.112 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2ccnc(C(C)(C)C)n2)cn1 1503652792 GYSZYWXLZJCMTI-GOSISDBHSA-N 435.536 2.128 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1504749723 PAHYMVIABAWJSB-XXBNENTESA-N 435.532 2.332 30 10 IEEE CON(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1505092427 OZFABMMWLVWXMD-RDCVWBNRSA-N 430.440 2.081 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCC2(F)CCC2)cc1 1505319797 LBILVBRHXVQOEJ-UHFFFAOYSA-N 433.509 2.246 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(CC)C(C)C 1507520901 HZJNCKTWDPTMPS-GOSISDBHSA-N 446.621 2.384 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507592394 ZYRUSBHEIFTVKY-UHFFFAOYSA-N 433.553 2.282 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc2c1OCO2 1507703564 BKBGNJOXJVHCNR-HSZRJFAPSA-N 442.516 2.182 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507748029 LPZIMWVASVCQRU-MRXNPFEDSA-N 434.587 2.334 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1507836889 CHWJBSXAZPXUKR-INIZCTEOSA-N 449.577 2.052 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1508081742 OASLSTJUNKPJQI-FQEVSTJZSA-N 433.560 2.297 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCC[C@@H](COC)C1 1508088156 WYFPILBAALHATO-GOSISDBHSA-N 427.549 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508135902 CHUCDTLUIAMQNT-QGZVFWFLSA-N 433.578 2.016 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C(N)=O)cc2)CCOC1 1508413778 VWJIBWIYCDVSCZ-AOMKIAJQSA-N 426.521 2.062 30 10 IEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1)OC 1513456495 ZCYGHYOPZCZCOJ-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccsc1 1519430455 UEZQPNFTMZREBL-UQOODKLHSA-N 435.525 2.413 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519474625 QUOCXVOFTOPNGN-IGGDJGDASA-N 442.907 2.350 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(N2C(=O)CNC2=O)c1 1525711396 HAPJTKFVNXWFHZ-UHFFFAOYSA-N 429.230 2.394 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)CC2=O)cn1 1528065652 IHTKGTNDNUWERH-PBHICJAKSA-N 435.406 2.282 30 10 IEEE COc1ccc(N2CC[C@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)cc1 1537110310 WSHUAWBWDRIHKO-QGZVFWFLSA-N 442.541 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1539252579 CAYJFRDQJJMFPL-UHFFFAOYSA-N 426.524 2.293 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCS(C)(=O)=O 1539390203 MQAZAWMHNBFTKO-UHFFFAOYSA-N 427.505 2.472 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)OCCc2sccc21 1539409036 MGCJOIYYZWNIKP-NRFANRHFSA-N 426.546 2.314 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)CC2)c1 1540661414 YEUCUWQSMNUBMP-UHFFFAOYSA-N 439.273 2.138 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](C)C1 1540869254 GYAHJISBAYYFCQ-MRXNPFEDSA-N 435.532 2.121 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OCC)c2)C1 1540891674 XZMBEFJELLEYRX-ROUUACIJSA-N 441.532 2.466 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccon1 1540904311 MDVWHJLUVNFUBY-UHFFFAOYSA-N 437.472 2.372 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541457056 PEWOCQZQXARIJO-XANXLALBSA-N 428.537 2.008 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1546517598 NTMBVEHKUPJXKZ-FQEVSTJZSA-N 435.576 2.339 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](COC)C1 1547320060 FLCIFFNERFFWMP-LJQANCHMSA-N 440.548 2.460 30 10 IEEE CSCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1555912860 OFDIPRILOSCKCF-UHFFFAOYSA-N 448.618 2.432 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1558454103 DKYZAPDMPYJISR-UHFFFAOYSA-N 442.541 2.323 30 10 IEEE C#CCN(C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)C1CCN(C)CC1 1564258218 LMEMUHRUPOPTGW-UHFFFAOYSA-N 425.558 2.312 30 10 IEEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cc(F)c(Br)cc1F 1565091923 CFYWZMUVDIDKQA-KCWFYHRYSA-N 448.289 2.368 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)C(=O)OC 1568154796 RSKCSJAZHRPUTL-IRXDYDNUSA-N 425.323 2.446 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)nn1 1570505369 BLRYZRMGQKLAIB-UHFFFAOYSA-N 427.486 2.204 30 10 IEEE C[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(I)cc1 1585296945 NXWZBEBFUKDJAI-WYFZMLARSA-N 439.253 2.037 30 10 IEEE COc1cc(I)c(C(=O)Nc2c(C#N)c(C)nn2C)cc1OC 1585833230 ZITKSGRGNTYKLD-UHFFFAOYSA-N 426.214 2.474 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CC(OCC)C1 1587610116 WHIRFTCCRNCOPD-HGCBZUSOSA-N 426.565 2.011 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1587621279 QSEJFDOVHVZAAR-KRWDZBQOSA-N 444.543 2.499 30 10 IEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588035356 SJWMGFJXTMUAMT-MJGOQNOKSA-N 438.594 2.209 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588064822 PTIKFWPZGYDRHG-AQNXPRMDSA-N 434.606 2.189 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CCC)[C@@H]1CCS(=O)(=O)C1 1588073926 GBJRFMFNKCHCJJ-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)N1CCOCC1 1588149117 FTYAGSJEMNJURG-OAQYLSRUSA-N 446.580 2.472 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1593718100 PXJWQGCUYXCELG-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1596830942 GPCDCCYKVRPBNH-UONOGXRCSA-N 439.488 2.133 30 10 IEEE Cn1cc(I)c(C(=O)Nc2ccc(Br)c(C#N)n2)n1 1610906150 LFCNPFSIZWMANQ-UHFFFAOYSA-N 432.019 2.306 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCOCC2(C)C)n1 1612495945 FJDIDOWDWHRLSA-HSZRJFAPSA-N 440.596 2.381 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N1CCC[C@@H](C)C1 1612780560 BOQVHBXKLQZVFH-ZIFCJYIRSA-N 434.610 2.041 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1613478334 IECKECFTADSQIN-WOJBJXKFSA-N 443.573 2.374 30 10 IEEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 1620178445 GLZUUTCXAQDNTP-FOGNVHKLSA-N 439.463 2.495 30 10 IEEE CC#CC[C@H](CO)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1622318067 HHBIVIOQXZUORF-XPWALMASSA-N 430.545 2.487 30 10 IEEE CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1622395901 MTNNZVBCGLEBQX-UHFFFAOYSA-N 443.550 2.439 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623849536 CEVLHXZDJLUJID-JTSKRJEESA-N 429.521 2.016 30 10 IEEE Cc1ccc(C(=O)N2CCN(CCN3CCCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1624480581 UYJDXLAXOYAHQW-UHFFFAOYSA-N 427.398 2.148 30 10 IEEE CON(C)C(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1624988950 RAZZZMSZIFHDEG-PSCUFVCCSA-N 434.537 2.032 30 10 IEEE C=CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1628375429 LQALCIVSBAJHLS-QGZVFWFLSA-N 441.619 2.054 30 10 IEEE COC(=O)[C@@H](COC(C)C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1631689692 HOTFJWPHLVTFEZ-QOQLHOOGSA-N 437.537 2.198 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3cc(=O)n4ccccc4n3)C2)C1 1631867583 KQFWZTNFPQFHEB-IOXSGPKDSA-N 437.500 2.098 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)ccc1F 1635175048 PNHZBRCOSNTLBN-IBGZPJMESA-N 433.505 2.085 30 10 IEEE N#Cc1csc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 1636259525 REXIWTGIUBEZOF-NRFANRHFSA-N 445.504 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCc2nnc(O)cc2C1 1639036129 ZHIUNEBPQWYEKC-FQEVSTJZSA-N 435.484 2.473 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@]3(C)CCCCO3)nnc12 1639098799 JHUQOMRHAWXIBA-NRFANRHFSA-N 427.530 2.398 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(I)cc(C)c2=O)c1 1641047296 WBRHHPWZICNWNP-UHFFFAOYSA-N 435.221 2.091 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2CCS(=O)(=O)c2ccc(C#N)cn2)C1 1648111374 YMPXZZSYEVJXOI-MSOLQXFVSA-N 434.562 2.448 30 10 IEEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN(CC)[C@@H](C)C#N)C2=O)cc1 1655165102 ROQPNQXTXNGQDU-BRFSQIRFSA-N 430.530 2.472 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1677217291 HVSFOPNHGQLVCM-RXVVDRJESA-N 440.523 2.333 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1689860924 LEXLJOCTYXRGAI-JOCHJYFZSA-N 435.620 2.197 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689985952 FVUNDUFZOMRMRW-MSOLQXFVSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1689992393 KJGACWKYILZFTN-IBGZPJMESA-N 427.574 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCSC(C)C 1690006419 OBXUKCMBBMJFCH-UHFFFAOYSA-N 445.614 2.410 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1690059819 YLWYCJIWNHVMHB-SFHVURJKSA-N 433.578 2.386 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1690077274 LTKPJECFMUVKLE-HKUYNNGSSA-N 433.553 2.082 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1690090104 WKLWQMACAHGDJF-SFHVURJKSA-N 435.463 2.040 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@](C)(O)c2ccc(F)cc2)n1 1690108392 XFHGVTAHBQKRBT-QFIPXVFZSA-N 426.496 2.116 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccc(O)cc2)n1 1690109350 OQWAMHHEDPQZCO-LJQANCHMSA-N 436.516 2.019 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1690157352 DSRLVGSYOBTYES-INIZCTEOSA-N 446.552 2.385 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690184347 HDDHWXGEAOOTGP-QGZVFWFLSA-N 429.521 2.174 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1690596983 GMLBSFNVAJMCBQ-IBGZPJMESA-N 449.552 2.285 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2snnc2C)C1 1690687565 DTPAVHRIFRJGEU-JXFKEZNVSA-N 434.566 2.308 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1692015149 QPOISZQDWBBGQH-CVDCTZTESA-N 438.532 2.068 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CCCC1 1694293279 AXDCCIWZSPKZMM-HNNXBMFYSA-N 438.598 2.150 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1705495316 OFBXWUINOFPMRH-OKZBNKHCSA-N 433.553 2.471 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1705508732 SLCBETGBDFPTNI-QGZVFWFLSA-N 442.951 2.367 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705516712 HPFXLKNTACNGIA-QRVBRYPASA-N 437.610 2.429 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705517062 NUAFCRUWLDJTFV-QFBILLFUSA-N 432.546 2.463 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 1705571409 ZDCYCNXPERXQOC-FQEVSTJZSA-N 442.585 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1705593949 ZDBIXWIBOIIPBU-UGKGYDQZSA-N 438.528 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCOCC2)CC1 1705635780 KWLYPHBDOQFUCA-UHFFFAOYSA-N 436.585 2.484 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705651985 MSJOFHHMRITWAF-CQSZACIVSA-N 433.500 2.330 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CCC(N)=O)CC1 1705736090 KARKIVSVIKJYPR-UHFFFAOYSA-N 444.536 2.080 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1705740966 CDCQIVKGLFYHLE-IBGZPJMESA-N 443.573 2.241 30 10 IEEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1705850200 KWKTXTOTPODMFL-UHFFFAOYSA-N 434.500 2.265 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1705879939 PPKRLLIJKWTADJ-RBUKOAKNSA-N 447.605 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705902194 IWHXEPNWONNPKS-OAHLLOKOSA-N 430.509 2.252 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(CC)n2)C1 1705929266 MURONERSJDWVJU-QGZVFWFLSA-N 430.578 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705930454 NSJLGRJRUSBUSU-IRXDYDNUSA-N 444.561 2.295 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1707892383 UMLDJZYXEPNRRE-HUUCEWRRSA-N 425.537 2.009 30 10 IEEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1711062166 PZATUUVWEFUVTA-VLGSPTGOSA-N 445.405 2.342 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CCOCC2)c1 1712878434 FBEOHYVNZORXDU-OAQYLSRUSA-N 436.516 2.379 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1722384256 RIIRGMBTLFDKTJ-UHFFFAOYSA-N 426.459 2.105 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@H](O)C1 1722399999 HOMYHLKQONWJDQ-UNMCSNQZSA-N 447.587 2.466 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1722435603 LTAKXKBBRWVACG-HSZRJFAPSA-N 440.617 2.146 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722496039 VHCVFMJEJTUWKU-JTHBVZDNSA-N 438.576 2.006 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1722573355 VQCREXZNRGCECM-GOSISDBHSA-N 427.553 2.219 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722603569 YAMJTJVECVXNNX-RXVVDRJESA-N 438.580 2.080 30 10 IEEE C=CCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1722622162 GXKJAMDSKKVSNS-NZQKXSOJSA-N 432.613 2.113 30 10 IEEE CC(C)(C)OCc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)no1 1723010897 GVQNLNDIZGHJDX-QGZVFWFLSA-N 449.515 2.480 30 10 IEEE CC(C)CC(=O)Nc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1723239193 GTWFEIHYFAZVDR-IBGZPJMESA-N 446.515 2.497 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1C(F)(F)C12CCC2 1723942383 KSMNKNLCZUOAJH-JJRVBVJISA-N 442.536 2.454 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1727924583 AGLPPXPDJFCPDP-HKUYNNGSSA-N 440.548 2.159 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC=CO1 1729567061 RYQFOLBKOYIDIT-LSDHHAIUSA-N 433.310 2.468 30 10 IEEE CSCCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1731112594 MSDLSFAPWPFRAY-SFHVURJKSA-N 431.610 2.110 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2F)CCO1 1731187550 RUZDNLAYIZKGGB-QGZVFWFLSA-N 444.536 2.202 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1740545114 NZAPNGHKULZXDT-OXJNMPFZSA-N 433.516 2.302 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1740605089 NAFIVNKGLMTEPK-HNNXBMFYSA-N 431.924 2.171 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)COC2 1740641907 OYHXZQJBTROKBP-UHFFFAOYSA-N 431.521 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](CC)OC)CC1 1740707959 WWLWOKMYWRWZQB-IBGZPJMESA-N 443.523 2.387 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCOC1 1740709584 PKXZKMKUIVRXCZ-KRWDZBQOSA-N 433.965 2.453 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740714191 SQQBZRSRFODZAA-SFHVURJKSA-N 438.601 2.101 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740793612 UUNVSCOLTJQDLG-UXHICEINSA-N 441.532 2.106 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)n1 1740941602 OMVCIEZVCJMCRC-FQEVSTJZSA-N 442.564 2.438 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1740961780 IPWFHTUWBKFJNK-OAQYLSRUSA-N 432.528 2.014 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1740982504 WMYIVJORBUYMHZ-MOPGFXCFSA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOC2(CCCCC2)C1 1740993101 YMFPRXSWZQBMCB-GOSISDBHSA-N 438.594 2.312 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCCNS(C)(=O)=O)C1 1741984479 RJXZBDVYUUZQTL-FQEVSTJZSA-N 434.541 2.077 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1743857514 CZVLVFJMSKLOPZ-VQIMIIECSA-N 430.578 2.170 30 10 IEEE CN(CCC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1747913697 GUSPLUDWAXPRBC-UHFFFAOYSA-N 436.520 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1OC 1748684965 RTEMUJQJYCLLFT-INIZCTEOSA-N 441.532 2.127 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@](C)(O)c2ccco2)c1 1748695207 ZXOFHJODJOTEJB-HSZRJFAPSA-N 437.500 2.372 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1748846730 KORBXUVLKHEPAB-GFCCVEGCSA-N 426.830 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@H]1CO 1748919080 ZUYCQVNZNPPLFZ-FQEVSTJZSA-N 439.560 2.413 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1748925827 ONOCWBMKMYDLKI-KRWDZBQOSA-N 432.569 2.377 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(CCO)Cc1ccccc1 1749136553 PFRLMKXDRVJXDV-NZQKXSOJSA-N 439.560 2.381 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(CN2CCOCC2)CC1 1749141428 ZBMDXZWBFMICSB-IFMALSPDSA-N 433.597 2.344 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCS(C)(=O)=O)CC1 1749304141 VWAUWXHNPWRNIJ-UHFFFAOYSA-N 445.593 2.043 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749387034 RFLPRCQMQOWHSB-NRFANRHFSA-N 444.561 2.297 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1749597729 LTFVLFGMKKPFGL-OAQYLSRUSA-N 448.593 2.082 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1752418114 QHSRBDVBDGGTNM-KRWDZBQOSA-N 447.561 2.169 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@](C)(O)CC)c1 1760128093 YLPYBXMWDRIFFH-DEOSSOPVSA-N 432.528 2.481 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1760170922 RUEOGKWVITYOIF-UHFFFAOYSA-N 430.559 2.066 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc2[nH]ccc2c1)[C@@H]1CCS(=O)(=O)C1 1760193118 UCOFILVBDDWJDB-LJQANCHMSA-N 441.557 2.165 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCC1 1760201862 LCUQHYVRXZXWDY-UHFFFAOYSA-N 430.512 2.053 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1760233798 FQUPTAZRBWCXAX-FJIDUMEYSA-N 442.564 2.192 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1760264824 XPKXXKNZXITYLJ-CTNGQTDRSA-N 434.544 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)CCC)CC1 1760271931 RKWJYBMVBCVUGI-QFIPXVFZSA-N 444.605 2.151 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)C1 1760274004 FIVWUSJTQQQBBC-FUHWJXTLSA-N 433.603 2.249 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760333731 HHDCRFFODUMBGN-UHFFFAOYSA-N 429.525 2.431 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1760526304 KNDPMSXPUQDPMW-IYBDPMFKSA-N 426.546 2.361 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769281651 IQXFNEXTOHJVKK-NHCUHLMSSA-N 442.539 2.350 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1770801519 FGDPWOYABBGJGV-FUHWJXTLSA-N 440.483 2.183 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)N(C)C 1771216221 BKLZNSAYUAYDMM-MOPGFXCFSA-N 441.580 2.150 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CCC(=O)N3Cc3ccc(Cl)cc3)CO2)nc1 1852697746 ZYDPHKNDMBQABL-ROUUACIJSA-N 426.860 2.461 30 10 IEEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CCC(F)(F)F)CC1 1855839454 HCGCVHVOPVQGNM-UHFFFAOYSA-N 429.420 2.369 30 10 IEEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2)CC1 1855906362 OFLMHTJUWSGDMZ-IAGOWNOFSA-N 428.920 2.304 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)Cc4ccccc4F)C(=O)C3)C2)s1 1856346894 AISCVVWTTHRERK-QGZVFWFLSA-N 426.517 2.247 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1857339517 QBBCYHPHWURHDE-OAHLLOKOSA-N 425.457 2.050 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862676108 AJEAZWBHZVARPH-GOSISDBHSA-N 427.388 2.448 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)cc1O 1864061396 QEBOFYUDGWLMJH-SFHVURJKSA-N 433.468 2.238 30 10 IEEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1870098271 WAPGLKWORXMGQR-UHFFFAOYSA-N 439.457 2.448 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCOC)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563853 LZCGBEOWPHHSFP-UHFFFAOYSA-N 444.536 2.112 30 10 IEEE COc1ccc(/C=N/Nc2cnn(C)c(=O)c2Br)c(Br)c1O 1873529049 OANLOITZBUQFHB-FZSIALSZSA-N 432.072 2.466 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccncc1 1874207289 HBJDDMXQJUZISO-UFFVCSGVSA-N 431.319 2.486 30 10 IEEE O=[N+]([O-])c1cc2c(cc1/C=N/n1c(SCCCO)nnc1[C@H]1CCCO1)OCCO2 1874451135 SCIUDOKVACNSLR-HIPSJFSSSA-N 435.462 2.166 30 10 IEEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c21 1964762972 AJAFMPSSZRUVOM-GOSISDBHSA-N 436.516 2.488 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2060639137 FFKPIYNUIZABIU-KBPBESRZSA-N 432.330 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@](O)([C@@H](N)C#Cc2ccccc2Br)C1 2227477397 QLNBHMWPOKRGGB-QFBILLFUSA-N 425.323 2.126 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243416623 HUQBHHJOJINXJA-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C[C@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243685196 OXYUTMHGWVOMBG-GFCCVEGCSA-N 425.360 2.362 30 10 IEEE C=C(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2246849986 IUEBCNTUXITUPH-NWDGAFQWSA-N 438.252 2.107 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)s[nH]1 2247819882 KPMULDZRHCQVKG-NWDGAFQWSA-N 438.359 2.448 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247825353 CGAFZCNCGYMLFT-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254761774 NNVXPCKDIFVSSB-ZFWWWQNUSA-N 438.305 2.438 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2255682657 KHMGIOJYKYGHGI-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC(C)(C)O 2255830365 FAKHETOHZMHMMQ-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256622205 DNVMUDCDBAVSFQ-DVOMOZLQSA-N 449.382 2.314 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CCC2 2267139856 LSALUGTWBIXVOA-HUUCEWRRSA-N 446.357 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267268796 ZHGNJOIZRDHTKX-MRXNPFEDSA-N 449.332 2.316 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)ccc2F)OC1(C)C 2267452160 CJGYUVDCJANOFJ-LJQANCHMSA-N 444.234 2.408 30 10 IEEE CN1CCC(N(Cc2ccccc2)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2267490724 SJRQVBGNLXIWCX-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268631041 SCIBULIKRNKLJY-CABCVRRESA-N 447.341 2.201 30 10 IEEE C[C@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268639935 DMKITVUPWCRWDY-INIZCTEOSA-N 448.369 2.392 30 10 IEEE C[C@@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268722929 KVOITHWXSMJZRY-QAPCUYQASA-N 448.369 2.439 30 10 IEEE CN(Cc1nn(C)nc1Br)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284353809 KWEKDIBIQWKTEH-UHFFFAOYSA-N 426.099 2.047 30 10 IEEE O=C1C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H](c2cccnc2)C1=C(O)c1ccc(Cl)cc1 2296549788 ZJQUMZQFHQLJBN-RDJZCZTQSA-N 432.885 2.344 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c(OC)c1 2296622715 GBANWBKIGUJLBC-HXUWFJFHSA-N 425.485 2.472 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302955047 KCOCEQJVZZMWLD-WMZHIEFXSA-N 447.601 2.064 30 10 IEEE Cc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329479738 DIXBILWFWDHUBP-UHFFFAOYSA-N 440.485 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@@H](CO)C1 2339289502 YFLLMDAHNFQYDT-GOSISDBHSA-N 443.353 2.275 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651491 ORNRNEUVKTZIEF-SFHVURJKSA-N 448.369 2.450 30 10 IEEE C=CCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCOc2ccccc2)cc1 14034742 RKDRHCAMXOZIQV-NRFANRHFSA-N 438.480 2.204 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(N3CCc4ccccc43)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 101422864 DQZXRODKJFWRBM-DNVCBOLYSA-N 441.447 2.459 30 10 IEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2)c1ccccc1 254702561 RXCMKUGVRHFVTE-YJBOKZPZSA-N 430.507 2.326 30 10 IEEE N#CCC1(CNC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 431047945 DSWBCEWTXXAJTN-UHFFFAOYSA-N 435.322 2.376 30 10 IEEE N#CCCC[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 433023688 SKVOKGDIAMDXRH-NJYVYQBISA-N 433.574 2.206 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 439865092 WDTDDIZTYDWRDP-UHFFFAOYSA-N 433.468 2.135 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440377086 CANLMTYYWQTJCH-QGZVFWFLSA-N 425.510 2.062 30 10 IEEE C=CCn1c(S[C@@H](C)[C@H](C)O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 445589265 RGAWHUTUFKYEIZ-GJZGRUSLSA-N 438.575 2.013 30 10 IEEE CC(C)[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475155020 IOENBJAEFKOCEN-PMACEKPBSA-N 432.590 2.196 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 480956279 ILGHNMSQWLPPKB-HUUCEWRRSA-N 439.497 2.292 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 485656996 KWCWEYQPZQYOLB-SVIJTADQSA-N 448.495 2.065 30 10 IEEE CN1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 497468526 GIPHGNUOZPIJAP-PZJWPPBQSA-N 433.480 2.313 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 505666118 WIHUCIYFTYKPFH-QZNHQXDQSA-N 446.507 2.398 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(c3cccnn3)CC2)CC1 506524502 WVOZMYNIHQLFRE-UHFFFAOYSA-N 433.472 2.161 30 10 IEEE CN1CCN(c2cc(CNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccn2)CC1 508171738 IVXXSWBSNUYRHV-UHFFFAOYSA-N 434.544 2.458 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 508840606 LZVAVFVGWZOFGC-GOSISDBHSA-N 448.531 2.246 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 514918879 FWTVMQUWULBAHO-UHFFFAOYSA-N 435.461 2.232 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1 515747389 FQRGMJOBSHXMLK-UHFFFAOYSA-N 446.345 2.428 30 10 IEEE C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518742688 PXKSNZADBCIJEM-UHFFFAOYSA-N 442.581 2.062 30 10 IEEE COc1c(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cnc2c1cnn2C 543266356 XMIIDHDDLQMMOY-UHFFFAOYSA-N 433.428 2.059 30 10 IEEE C=CC[C@@H](CO)CNC(c1nc2c(s1)CN(C)CC2)c1nc2c(s1)CN(C)CC2 543423141 UBKKSQIHTOWBCC-CQSZACIVSA-N 433.647 2.439 30 10 IEEE Cc1cc(N2CC[C@H](NC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2=O)n(C)n1 543886161 XAELHDIRYZDRTH-HNNXBMFYSA-N 438.879 2.366 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)CC1 544316567 XRJYORYMYHKRDA-UHFFFAOYSA-N 428.512 2.416 30 10 IEEE CN1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)c(C(=O)O)c2)CC1 548204056 ZJICWCFIGAOFPS-UHFFFAOYSA-N 434.905 2.462 30 10 IEEE COc1cc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)ccc1C#N 581223620 RUGDUNMBWCNMNX-IBGZPJMESA-N 437.496 2.291 30 10 IEEE C=CCOc1ccc(NCC(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1-n1cnnn1 586267787 IHDZACBIKBQYRT-UHFFFAOYSA-N 443.489 2.219 30 10 IEEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 590846722 VPJBTAJPZSAHIE-HXUWFJFHSA-N 438.507 2.409 30 10 IEEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 615368330 ARYWLACQJPPIOC-UHFFFAOYSA-N 439.537 2.182 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CCN1C1CC1 732706403 ILTIREWPBWYLGP-KRWDZBQOSA-N 443.935 2.103 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732707147 WDVQOYFQPMVRND-IBGZPJMESA-N 445.479 2.496 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707983 KAJSPZDUHIYAFA-UZLBHIALSA-N 437.544 2.004 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccoc2)c1=O 732795349 CMSIYCOAAQTVQA-UHFFFAOYSA-N 439.459 2.215 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 734292086 BFERYENRUWEIDN-UHFFFAOYSA-N 447.538 2.160 30 10 IEEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1NC(=O)OC(C)(C)C 737200224 ZXVAAARVJZEMTP-INIZCTEOSA-N 443.504 2.179 30 10 IEEE COC(=O)[C@H](OC(=O)Cc1c(C)nc2nc(SC)nn2c1C)c1ccc(C#N)cc1 740193446 LRJZNHQIEUUFEL-QGZVFWFLSA-N 425.470 2.335 30 10 IEEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccccc3OCC(F)(F)F)c2=O)cn1 742144083 SPWDQUCKGDYWSS-UHFFFAOYSA-N 445.426 2.083 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 747375146 IPXOPXASFJCKKV-STIUTOJCSA-N 438.575 2.140 30 10 IEEE CCN(C(=O)Cc1cccc(OCC#N)c1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 775492438 NYZZRYVWPOJSMQ-UHFFFAOYSA-N 435.528 2.244 30 10 IEEE CC1(C#N)CCN(C(=O)C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 780207901 YNWHLUJUXDDKET-UHFFFAOYSA-N 427.505 2.466 30 10 IEEE C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H](O)c4ccc(C#N)cc4)CC3)cc2NC1=O 780922340 IBXYFHIVHDUURO-PEBXRYMYSA-N 433.464 2.433 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc2c(c1)CCC(=O)N2C 789968132 JUSLMKNYDAEVJF-CQSZACIVSA-N 439.545 2.072 30 10 IEEE CC[C@@H](C(=O)OC)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 791630855 FCOHLTNKQHILSO-CABCVRRESA-N 431.489 2.098 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2ccc3ncccc3c2)sc(=Cc2ccoc2)c1=O 794614571 SQRXKBPGQVSLFL-UHFFFAOYSA-N 445.500 2.473 30 10 IEEE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 797938621 FICUZWJIKFGSKK-IBGZPJMESA-N 429.498 2.455 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CCN1C1CC1 800051910 VWUBVWHZEUBMDI-GFCCVEGCSA-N 444.742 2.111 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 809893389 ORRNNFDFVJRGOU-HYFFOGBASA-N 449.552 2.157 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 916777437 AUGSRSIOBBKGIE-IBGZPJMESA-N 443.500 2.125 30 10 IEEE COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 917768487 OQSNDDWFGDXTEA-INIZCTEOSA-N 446.956 2.479 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1Br 1124990644 ZRYTYACWNWOPRJ-UHFFFAOYSA-N 429.274 2.274 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)nn1 1129930957 WMYGFZOQPBTMAC-MAUKXSAKSA-N 447.561 2.260 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1)C(N)=O 1135508949 FZWXZQJWNWUUJG-GOSISDBHSA-N 443.598 2.258 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1135762155 BPBOLXVZGXATBG-UXHICEINSA-N 429.565 2.240 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 1136107683 NJNRWQSPKCHPCF-MRXNPFEDSA-N 440.301 2.490 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)c1 1149470180 CEAXQDKLDJPONT-UHFFFAOYSA-N 432.586 2.496 30 10 IEEE COC(=O)c1ncoc1CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1153092465 KODFNPYFMOSHRV-SFHVURJKSA-N 440.456 2.484 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1228508060 HGLVRRVRQHGSTO-CABCVRRESA-N 433.452 2.065 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCC3(NC(=O)OC(C)(C)C)CCCC3)CC2)c1C#N 1230804088 BSFJDHJAVYKXPT-UHFFFAOYSA-N 445.568 2.269 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1286334118 DJHATHOAOZHIMU-DENIHFKCSA-N 428.537 2.045 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)c2nc(C)cs2)CC1 1286470843 DKHIZHGVJCQVRE-SJLPKXTDSA-N 432.594 2.326 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1286574149 VFFAWVCPGZJDGN-UHFFFAOYSA-N 428.415 2.087 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286788612 ZSPYUWXJHRLULG-FQEVSTJZSA-N 442.539 2.283 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286829351 CTMKHNWFRJJCPK-IBGZPJMESA-N 442.589 2.395 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(F)(F)CNC(=O)OC(C)(C)C 1288021908 DJEHAZCNZKEVLG-CYBMUJFWSA-N 443.499 2.315 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1291336282 FRLVFSQUFCPVRZ-JKSUJKDBSA-N 430.509 2.010 30 10 IEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1292663286 DUDKJSHVZBNIHL-OAHLLOKOSA-N 437.529 2.108 30 10 IEEE C=CCOC[C@H](NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1)C(=O)OC 1297030534 WGXDQHJRGZGQGX-IBGZPJMESA-N 432.517 2.169 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1297602480 ABFRIGMQZYIQDM-UHFFFAOYSA-N 448.575 2.342 30 10 IEEE N#Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1 1297867999 BGKARCADGZNUDS-QGZVFWFLSA-N 430.555 2.497 30 10 IEEE Cc1c(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cnn1C1CCOCC1 1298457867 BYIOJNYQKQSFPD-SFHVURJKSA-N 436.472 2.258 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1299163356 DJCYVIQOXKYBKE-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1299455797 AEXBZFSXJWKJTP-KRWDZBQOSA-N 442.545 2.370 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1300398967 JACPCPASRBWZLD-INIZCTEOSA-N 435.452 2.083 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1300482479 GFWHGNJRPFKNKE-DUMMIQTOSA-N 429.502 2.446 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1300483276 KFBCQJURDWZLRK-SFHVURJKSA-N 444.557 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1300557780 XJLCYXLHVKQQAM-SFHVURJKSA-N 439.585 2.156 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1300579327 SYIPLDUWDMHQRG-REWPJTCUSA-N 449.555 2.100 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCOC[C@@H]1OC 1300596254 VXGIGSUAMFUWAV-KNQAVFIVSA-N 438.528 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCS2)CC1 1300724631 AIVIZGUUXUCCOA-MOPGFXCFSA-N 431.606 2.424 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC 1300922536 KTPANZHJZYEAIV-JYJNAYRXSA-N 426.510 2.189 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)C1 1301558220 UGAWRSLEEXEYAA-BZUAXINKSA-N 430.521 2.397 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)c(COC)c1 1302097070 JJRCHVZWFPPWEC-QAPCUYQASA-N 433.484 2.065 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1302207637 JDVFRZRCRCCPJV-HSZRJFAPSA-N 441.532 2.256 30 10 IEEE C[C@@H]1N(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1305243554 WRENDNAWOBVJMX-YGCDDZCOSA-N 436.516 2.475 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)CCO1 1315932788 DXWQVPIUKKWZMA-HXUWFJFHSA-N 441.532 2.112 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1315981595 NZGVXSVMQKZFTC-JOCHJYFZSA-N 441.532 2.133 30 10 IEEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1316424672 WEDUWXZYYDEKLU-SFHVURJKSA-N 448.618 2.478 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)C1 1325257076 XULIDKAMZUNVTI-OAHLLOKOSA-N 433.530 2.388 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CCC(S(C)(=O)=O)CC2)cc1 1357545321 ZASATSFZCSEHSF-DYTRJAOYSA-N 441.575 2.041 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1358925232 YHQFJRDKTVOWTN-KRWDZBQOSA-N 431.562 2.133 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359018378 NVBCIZXBCLQITQ-PMACEKPBSA-N 444.624 2.357 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCSC2)n1 1359028647 ZHRHOBUYYVNGNJ-MOPGFXCFSA-N 444.605 2.408 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359056811 MBIPRCAGDICZFM-MOPGFXCFSA-N 441.605 2.434 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359133220 NKRYQPLLMSJDEZ-LJQANCHMSA-N 430.553 2.383 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1359163974 ZTTQWMYSOBSHTK-KRWDZBQOSA-N 439.486 2.488 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1359266218 WRZUFWFVJDMTCY-RTWAWAEBSA-N 430.597 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CCC)C1 1359294495 VGIROMGSFNGRRB-AWEZNQCLSA-N 437.342 2.343 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1359308892 BNRQTNGSZZEHEU-PKOBYXMFSA-N 432.546 2.366 30 10 IEEE Cn1cc(C(=O)NCc2cccc(OCC#N)c2)c(CN2C(=O)c3ccccc3C2=O)n1 1360138332 NIYLRAYTMOVAKW-UHFFFAOYSA-N 429.436 2.049 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(C3CCOCC3)cc2C)c1 1434894637 MLIOFYMKTSBVEY-UHFFFAOYSA-N 436.512 2.030 30 10 IEEE CCN1CCN(CCCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1443422309 HZKYFUIEXBUOOB-UHFFFAOYSA-N 448.409 2.291 30 10 IEEE C#CCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1463706582 KNOSPTCEKBMRJA-UHFFFAOYSA-N 428.510 2.040 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1474956008 HEPGPWFRHQUNOZ-DNVCBOLYSA-N 436.553 2.007 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCC(n3nncc3I)CC2)c1 1478816367 VDKHLRRIOQNAQU-UHFFFAOYSA-N 435.269 2.411 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(N(C)C)CCOCC1 1507546341 QLODJWZPBIEEAA-GOSISDBHSA-N 427.549 2.434 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1C1OCCO1)[C@@H]1CCS(=O)(=O)C1 1507623876 YRPIWJSXQPZUPO-GOSISDBHSA-N 444.557 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccccc1N1CCOCC1 1507652126 XTRZYWPGRQINFL-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1507690384 RYXNVZAJCFMZKH-KRWDZBQOSA-N 431.491 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCOCC1 1507711059 ZNKKXSPQLGASSX-UHFFFAOYSA-N 437.500 2.228 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1507744195 PDJWFJLOFNQLMH-FQEVSTJZSA-N 440.617 2.493 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507801341 ULPODOIJGZNDSQ-AZUAARDMSA-N 433.516 2.452 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC)C1)c1ccccc1 1507924541 OWJQXHJZFUTMHZ-AABGKKOBSA-N 425.533 2.441 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507954390 MSWUOMIGRMIHQR-MSOLQXFVSA-N 445.593 2.042 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1508088606 CKACGFRAJOQXGM-PMACEKPBSA-N 425.533 2.225 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc([C@H](C)O)cc2)C1 1508107185 BDMCKWSNYIYLNV-FXAWDEMLSA-N 425.533 2.397 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1508154415 AIFZSCPKYGOGRX-MRXNPFEDSA-N 446.577 2.230 30 10 IEEE CCN1C(=O)C[C@@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)[C@H]1c1cccc(C)c1 1516423442 GYQWDQIARIGYDM-DENIHFKCSA-N 434.544 2.167 30 10 IEEE C=CCN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H](Cc1ccccc1)C(=O)OCC 1529014131 BIWPCTIAWZXBGX-VSKRKVRLSA-N 430.545 2.055 30 10 IEEE N#Cc1ccc(OCC(=O)NCc2ccc(-c3nncnn3)cc2)cc1Br 1530543852 OXYBRCQSUOICGA-UHFFFAOYSA-N 425.246 2.263 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1539211438 LSXBIMDUMBYFBQ-FQEVSTJZSA-N 441.557 2.260 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539216419 RMAQGNFFYFLETA-WBVHZDCISA-N 435.500 2.402 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1539226030 SVAQEBMLPBJBGH-HXUWFJFHSA-N 442.585 2.133 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539271699 HQZLPHQTGRVBGY-HXUWFJFHSA-N 441.539 2.005 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1539370336 VIBQAVXEKBQDIV-UGKGYDQZSA-N 438.576 2.276 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc2c[nH]nc2c1 1539420077 ASMLPIRLEHBYQE-UHFFFAOYSA-N 432.532 2.345 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1539427352 BRZMCBIGFVWCKF-XXBNENTESA-N 430.597 2.299 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1539462322 SUHAFMPHLUVJRJ-SFHVURJKSA-N 442.539 2.056 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1539480625 CUJKJXDYLYVRCN-NSHGMRRFSA-N 429.565 2.301 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539637972 WAQVOCHFKWWOJA-OFNKIYASSA-N 444.624 2.202 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539752674 VWFMXSWWMDEGMP-HSZRJFAPSA-N 427.549 2.433 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540037303 HQCUMTQHVKZQIL-UHFFFAOYSA-N 426.569 2.310 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1540086802 BTAKYGGGOMOKET-IAGOWNOFSA-N 432.594 2.391 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1ccnc1C 1540197971 ARTXRZMQLDWLAT-UHFFFAOYSA-N 448.531 2.036 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1541604658 CQMPMIPHYOTIFP-UHFFFAOYSA-N 431.548 2.274 30 10 IEEE Cc1ccc(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1542400713 DVGFQNWDLLTXKA-QHCPKHFHSA-N 440.548 2.114 30 10 IEEE CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1546604669 RFIHOIBGZDGIFE-MYLKPUPKSA-N 435.532 2.415 30 10 IEEE CCOCc1nnc(N(C)[C@H](C)c2cccc(O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1548076398 QFPCMYQCRGHFFJ-MSVBSMQLSA-N 440.504 2.244 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccc2c(c1)OCO2 1555636557 KLJJKZHHADBJBZ-VFNWGFHPSA-N 447.467 2.252 30 10 IEEE C#C[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CCOCC1 1557579420 OVOIGSPPXSONHB-OAHLLOKOSA-N 436.249 2.291 30 10 IEEE C#CCN1CCC(NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1558423786 YZMBBDSRWUQHOD-GOSISDBHSA-N 430.553 2.068 30 10 IEEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1[C@@H](C)c1ccccc1 1559456839 RBCPZQNZEKJVHA-INIZCTEOSA-N 434.496 2.093 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3cc(Cl)cc(Br)c3)CC2)C1=O 1583592620 AGNJAFIYZICGBU-UHFFFAOYSA-N 440.681 2.185 30 10 IEEE COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(F)cc1C#N 1587092127 GUCQSQWVUVWEBA-UHFFFAOYSA-N 433.461 2.288 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588075092 XODROZUJDAGMDR-ARFHVFGLSA-N 435.575 2.017 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccsc1)N(C)C 1588089188 GLCDBBWIPDHXPP-UGKGYDQZSA-N 427.574 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1COCCO1 1588110104 VDJNIESJPSCYOX-OAHLLOKOSA-N 433.281 2.335 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnn(CC)c1 1588629076 WSNKUOZIDAEZND-UHFFFAOYSA-N 430.516 2.482 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCOC2)n1 1588724058 TUUZMICQJZPDHQ-TZIWHRDSSA-N 442.564 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCCO2)CC1 1588899525 RESJQDZFGIRMTO-OAQYLSRUSA-N 437.544 2.489 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1589207601 NUBYLSSYKMFNET-YADARESESA-N 434.544 2.166 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1589528873 JBWAIDFEOGXAMY-QFBILLFUSA-N 446.577 2.120 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1589548278 YKIIXYNFKGZVNK-KSZLIROESA-N 440.610 2.413 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1593691470 WKMDCSYXXHRBDL-UHFFFAOYSA-N 447.609 2.096 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(C2CC2)C1 1594896598 ZMGJLXAEAWRIFS-QGZVFWFLSA-N 444.605 2.302 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@H](CO)O1 1603674010 PTDUWHPMLAMNBK-RBUKOAKNSA-N 442.539 2.354 30 10 IEEE Cc1ccc(CSCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1612089495 JCPYTWDIBVXDSC-IBGZPJMESA-N 440.573 2.485 30 10 IEEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1612449273 ACMDRVLNPYEJNN-HZPDHXFCSA-N 441.561 2.280 30 10 IEEE CN(CC(=O)N[C@H](CC#N)C(F)(F)F)S(=O)(=O)c1ccc(Br)cc1 1616998481 QPGQECJGJLOZHF-LLVKDONJSA-N 428.230 2.030 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1620463794 UXLZXBLQCPAGJY-AUSIDOKSSA-N 429.517 2.113 30 10 IEEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628421648 MROHPBPPMYSTNX-LSDHHAIUSA-N 438.550 2.035 30 10 IEEE COC(=O)c1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1629251696 IVTRVGVXQNBBIJ-UHFFFAOYSA-N 429.274 2.255 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 1631330606 HAAYICDHVYIKKH-OAHLLOKOSA-N 438.962 2.289 30 10 IEEE Cc1noc(-c2ccc(CNC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)cc2)n1 1632443509 UJXFCGTUFMOQNN-UHFFFAOYSA-N 425.470 2.085 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)C2)C1 1635125551 FOJOUEBBUWXMOQ-RABOGDHLSA-N 447.576 2.457 30 10 IEEE CC(C)(C)Oc1ccc(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1C#N 1637212415 CSFJAHHSIGDFQK-NRFANRHFSA-N 428.489 2.290 30 10 IEEE COc1ccc(CNC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1C#N 1637890095 GIJYVNSWTKYMOP-QGZVFWFLSA-N 430.505 2.089 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)n[nH]2)c1C 1638717329 BLXJIYQZXCSNMW-OAHLLOKOSA-N 441.513 2.041 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)C)c1 1641460375 RHJIKDAHCKENGY-NRFANRHFSA-N 443.521 2.482 30 10 IEEE C=CCC[C@H]1CCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1653192780 MJCOBUUGSRLFKW-IBGZPJMESA-N 433.574 2.257 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC3(CCC3)S(=O)(=O)CC2)c1 1662537389 BVRMUHINMNMTQR-UHFFFAOYSA-N 433.349 2.053 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1689875332 PVAMFDHGYJUNMY-MRXNPFEDSA-N 425.599 2.476 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCCCC1 1689944728 YSBITAWLCDFSCL-UHFFFAOYSA-N 442.951 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(F)cc2)CC1 1690138375 ZXEOYFNSTAXNQZ-QGZVFWFLSA-N 443.523 2.155 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(COCCOC)cc1 1690202879 IYQLLRPCGWNRJP-GBXCKJPGSA-N 437.544 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690700057 NCMBSSQTZQUCCM-NJDAHSKKSA-N 432.613 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CC)C1 1690714298 JOQIMGAUZVISOC-INIZCTEOSA-N 432.550 2.153 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 1693772955 GUKUFDJBDUCYGA-JFIYKMOQSA-N 429.546 2.255 30 10 IEEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1698307394 FRLFYTMKGXNZGE-WOJBJXKFSA-N 443.573 2.157 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Br)n2)C1 1698482749 INHBGQWDIKGEPZ-GOSISDBHSA-N 448.300 2.162 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CC=CCC1 1698520564 MSTRVCCIOOEZJC-MRCUWXFGSA-N 440.454 2.440 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 1705530958 SUNAWWOWOYSJQV-AWEZNQCLSA-N 432.322 2.441 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CCCCC1 1705558644 DEZZVXWQLCPHJA-PMACEKPBSA-N 431.581 2.107 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705570351 PEFALAPFFZGHPE-IBGZPJMESA-N 441.582 2.309 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705902816 JXYZAQQUJAYXGT-LIRRHRJNSA-N 445.486 2.004 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCN(C(C)C)CC2)C1 1705926814 LEYAVJDIXLWXLZ-OAQYLSRUSA-N 440.592 2.281 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1706074896 GOPCSOKUQRWLJH-HHXXYDBFSA-N 448.568 2.218 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1706750989 CTYLJOGSQDEOFC-CVEARBPZSA-N 429.529 2.380 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1706820257 CBDVIDKPUAAAOT-MGPUTAFESA-N 433.919 2.404 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC2(CS(C)(=O)=O)CC2)cs1 1707753466 RNOOUSFTYQNKJA-UHFFFAOYSA-N 434.591 2.199 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)C1CC1 1711563013 FVIVABQCHKGKLP-OALUTQOASA-N 429.546 2.113 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1712361097 PSJGCYYMKYYDMP-QHCPKHFHSA-N 438.532 2.404 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS1 1712536936 IOKVLTIQGMWWKJ-RHSMWYFYSA-N 444.561 2.433 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1712615572 LGYDYYIHQQHRCH-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1722296580 RZIWJOOLLPNNOL-KBPBESRZSA-N 431.543 2.403 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccco1)N1CCCC1 1722373174 FMUSIKUILIHBJI-HYBUGGRVSA-N 437.544 2.433 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1722463369 ZWCAWXLLPBTCLH-UHFFFAOYSA-N 432.619 2.305 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 1722504197 FHMTYXCRAPGFBX-XLIONFOSSA-N 425.537 2.198 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722542738 GUTALOJXNIZTMD-LBPRGKRZSA-N 448.380 2.332 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722551906 HBGGRTLVTVRERB-JXFKEZNVSA-N 443.983 2.005 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722558794 YXMIHPYUPGGWJD-QAPCUYQASA-N 432.974 2.085 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722603279 HWBJMXMHAAOUTM-QZTJIDSGSA-N 425.599 2.294 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722690144 GGLIWTLKISGNMJ-UHFFFAOYSA-N 428.512 2.242 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)OC)C1 1722712553 VGEPUZPQLBXWRH-CVEARBPZSA-N 434.566 2.054 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1727135576 CFKQLHOCSOUZGD-VQTJNVASSA-N 443.573 2.374 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1CCC(OC)CC1 1727568379 DODDKFOQCKZAIX-UHFFFAOYSA-N 439.564 2.265 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1)CC(F)(F)F 1729530763 NKXVDWFDOZPKFA-UHFFFAOYSA-N 447.465 2.122 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O 1740549254 DQLVVDGDAUUJKB-WAIKUNEKSA-N 444.580 2.329 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)nc1 1740601511 CXZLHKBKWGFSAS-UHFFFAOYSA-N 439.545 2.068 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740626723 WAWSZYJAWNRFAG-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCCC1 1740650704 KHNNTCNMNFPNPA-UHFFFAOYSA-N 433.512 2.225 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1740763192 ZHEPILZSZZSLIJ-UXLLHSPISA-N 437.591 2.254 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1740763797 QELLKHRZLYJXGG-KNQAVFIVSA-N 431.581 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](OC)C1 1740764456 XBVZKMXYHBTRMG-BXWFABGCSA-N 431.562 2.476 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740857819 CWLGTHFOPFYVJR-RDBSUJKOSA-N 439.504 2.401 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1740932888 YHMXMJJIUZYVEI-VQTJNVASSA-N 439.564 2.170 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C 1740960471 SHAZRMHQVFRJDF-KRWDZBQOSA-N 449.552 2.037 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccccc3F)n2CCCNS(C)(=O)=O)CC1 1741988156 KFIIIVJFKXBEAA-UHFFFAOYSA-N 434.541 2.077 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1747581521 SNDOLXHKTCKMFY-UHFFFAOYSA-N 432.594 2.275 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1747999792 RUKCOQSTVAAITM-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNS(=O)(=O)CC 1748639978 ORMIWWDVUFFEHH-AEFFLSMTSA-N 433.578 2.432 30 10 IEEE C#CCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748763883 CCPCWNFZEBJPFO-GHTZIAJQSA-N 438.594 2.136 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1cccs1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748805904 YDINRNUKYSFRPQ-QZTJIDSGSA-N 433.603 2.112 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748960355 ISVNIYOFJDTURV-KRWDZBQOSA-N 429.487 2.285 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(N(C)C)CCSC1 1748965332 QABRFUUMVYEOGR-HXUWFJFHSA-N 434.635 2.157 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749114902 JNAXMYOAQIJUSB-GGPKGHCWSA-N 440.548 2.450 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1749143851 NDCIAPGDFMFIBB-HRAATJIYSA-N 433.578 2.125 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1749449581 PNUIGJXDHBSLCC-LJQANCHMSA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CCC)C1 1749650416 WDNDPKKDESABEV-LJQANCHMSA-N 440.548 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC=C(C(F)(F)F)CC1 1749730405 CGZJSCDZHUELDC-UHFFFAOYSA-N 428.440 2.035 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1750062192 VGOOOQNLQQHZPC-KPZWWZAWSA-N 434.342 2.120 30 10 IEEE COCCOCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1750097610 UIFIFVMYOJNWHN-NQIIRXRSSA-N 431.468 2.286 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)C1 1751281208 DNCUFNKQURSIDL-QHCPKHFHSA-N 438.532 2.104 30 10 IEEE Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)n1 1751628483 BLEIGTARYSTZFY-LAUBAEHRSA-N 445.593 2.355 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3CC(F)(F)F)CC2)c1C#N 1751827316 AMOKSFPYEZZCEF-UHFFFAOYSA-N 445.453 2.066 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1760152462 MWOUPAHZOAEMQO-UHFFFAOYSA-N 449.559 2.439 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCC1 1760242002 QPNKZVDBCBENHE-SFHVURJKSA-N 446.548 2.264 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1760249392 KOIJXUIUCIVZJM-SFTDATJTSA-N 440.544 2.392 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(CC)CCC)CC1 1760260759 BCCVBLCTOCSMDV-QFIPXVFZSA-N 438.576 2.278 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC(=O)N(C)C)CC1 1760264820 XPBMLVJHPHORRI-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1760294990 KRCZWUQFARGVID-YLJYHZDGSA-N 449.602 2.021 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1760501562 VPZHVKLCRGFKPI-LJQANCHMSA-N 447.605 2.494 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1760528326 YXSNZCGZILLXMI-UHFFFAOYSA-N 442.539 2.363 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)C1 1760542428 HEKOBMMCGJRAKC-HXUWFJFHSA-N 425.581 2.207 30 10 IEEE CCNC(=O)c1cccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OCC)CCOC2)c1 1767209515 IDXOQRJPEHOVTR-GAJHUEQPSA-N 440.548 2.467 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1770178485 ATBRDOKFDGCTMA-SXWKCWPCSA-N 441.532 2.316 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1770204692 PWJHNPJDBYMPKA-JTAQYXEDSA-N 444.580 2.391 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccccc1F 1771543289 AKWRPIJBLYVDDR-KRWDZBQOSA-N 426.496 2.481 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)CC1 1849405950 PJNQRHJISWLVHW-UHFFFAOYSA-N 436.512 2.064 30 10 IEEE Cn1ccnc(N2CCC(NC(=O)c3cccc([C@H](C#N)c4ccccc4)n3)CC2)c1=O 1851419910 JKBBFJKJDPWTKU-LJQANCHMSA-N 428.496 2.230 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1)c1snc(N2CCOCC2)c1C#N 1852637324 GOLMYRBFEWZBPS-MAUKXSAKSA-N 443.504 2.173 30 10 IEEE Cc1ccc(C)n1[C@@H](CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccc(C#N)cc1 1852939914 GLWZEYCWIRRCDM-NQIIRXRSSA-N 428.558 2.448 30 10 IEEE Cc1csc(C(=O)N2CC[C@@H](N3CCC(C(=O)N4CCC(C#N)CC4)CC3)C2=O)c1 1853690119 BSWKTRRRRXTVFK-GOSISDBHSA-N 428.558 2.272 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)cc(-c3cccc(F)c3)n2)CC1 1858571861 IGYIWDZGWLITSH-UHFFFAOYSA-N 439.472 2.371 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 1868797560 HQBZDANENJKXDF-MRXNPFEDSA-N 440.587 2.151 30 10 IEEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2C[C@H](C)O[C@@H](C)C2)n1 1871657301 OXMXBEOYWORPOK-ROUUACIJSA-N 438.580 2.000 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874306844 RTHBKWVIOXIKNE-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE CCOC(=O)N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1890584512 ZTEFZFMUYNXFKR-UXHICEINSA-N 444.557 2.252 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NCC2CCN(C(=O)COc3ccccc3)CC2)cs1 1891558568 GIVMBZDKPBRCQP-UHFFFAOYSA-N 442.541 2.106 30 10 IEEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)cc12 1891653702 PISUGVLYWUTUKF-MRXNPFEDSA-N 426.502 2.023 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2010227457 ONWIKDXKTLCKKP-YESZJQIVSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523583 IDOUZFXVUBNPFR-QZTJIDSGSA-N 446.353 2.142 30 10 IEEE Cc1cc(Cl)c(C#CCO)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2202852536 KVCIWVVNEDFQNP-UHFFFAOYSA-N 446.912 2.420 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905321 HBITUFBJXATUHP-STQMWFEESA-N 437.371 2.428 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247906439 ZNCKHYJUNFREBE-JYJNAYRXSA-N 442.387 2.349 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255711902 GBPOWESFXCAMRR-RCDICMHDSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2256620864 NWLWDGAXICLWTI-HUUCEWRRSA-N 429.326 2.432 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2267174707 HCFYSMUETBBMIM-BGYRXZFFSA-N 434.349 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267267959 NTTAYLWUPHVZRU-MRXNPFEDSA-N 449.332 2.316 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2267482337 BRUWUHONXGOGDY-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267513467 WBEPTLVBSMJHGT-UHFFFAOYSA-N 448.373 2.062 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267596719 QDZQPEUEOKIDPX-CMJOXMDJSA-N 443.353 2.368 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881351 ZRFVWMCAYISPBZ-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2269057326 IRCYMBNFZWXFNC-GOSISDBHSA-N 442.321 2.207 30 10 IEEE Cc1cc(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273767247 YDOMABRXOJCGGP-SFHVURJKSA-N 448.369 2.186 30 10 IEEE C#CCCN(C1CCCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286017143 YYHSVWBZDUPBJK-IBGZPJMESA-N 436.530 2.354 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2319669727 QCXHVVXILTVQCH-ZFWWWQNUSA-N 435.334 2.076 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2326792453 LAEPRCKLPVXLPT-HNNXBMFYSA-N 442.268 2.088 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1O 2330777765 BWMLECZSXPADNU-UHFFFAOYSA-N 449.496 2.443 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)n1 2337025147 IFHWGVGMNXZDMO-BZSNNMDCSA-N 445.369 2.418 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N[C@H](CCO)COCc3ccccc3)c(F)c2)OC1(C)C 2343511421 MMYAUTNFIPNGCB-GOSISDBHSA-N 444.312 2.218 30 10 IEEE CC1(C)OB(c2cc(=NCCN3CCN(Cc4ccccc4)CC3)[nH]cc2F)OC1(C)C 2345730695 AJGLJOXWVQVROR-UHFFFAOYSA-N 440.372 2.172 30 10 IEEE N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c2)CC1 33006884 WHKHXYYSHIBKSG-UHFFFAOYSA-N 432.477 2.360 30 10 IEEE N#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C(=O)N2CCCC2)S3)c1 65021460 LTVVDDSJWPPZLL-GOSISDBHSA-N 442.522 2.394 30 10 IEEE COCCCNC(=O)c1nnn(-c2cccc3c2CCN(c2ccc(C#N)cn2)C3)c1C 69974430 RXGOHRIAPQMQTM-UHFFFAOYSA-N 431.500 2.171 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 436090042 DORDZBSAIQFRII-UHFFFAOYSA-N 430.574 2.243 30 10 IEEE C=CCc1cc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc(OC)c1OC 440089465 ROWRIAHZIWQLBA-PBWTXFEYSA-N 446.500 2.067 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 471008882 BUIAKOPGPQBGDO-NQIIRXRSSA-N 438.915 2.179 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)CC4(C#N)CCC4)CC3)cc2NC1=O 477503882 AXJGLSUHAKNVKD-AWEZNQCLSA-N 431.514 2.324 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 485084188 XLWUWEQWXZHMHB-UHFFFAOYSA-N 431.489 2.102 30 10 IEEE CCOC(=O)C1(O)CCN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 494996252 LLEMBYFKMBUMPB-UHFFFAOYSA-N 442.516 2.337 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 505655250 FDKVNUCHLUNGHO-OALUTQOASA-N 426.542 2.262 30 10 IEEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)C1 505864867 RXNVXHIDLGUPOW-HDICACEKSA-N 426.536 2.378 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)C2=O)cc1 506621486 RTXSJMOGNQMAMF-HXUWFJFHSA-N 449.515 2.131 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 508865964 XKEBSOYVOKHBSA-QGZVFWFLSA-N 432.506 2.044 30 10 IEEE CNS(=O)(=O)c1ccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1 509309342 FGXSXZWAZLUAQC-UHFFFAOYSA-N 434.543 2.281 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4cccc(Br)c4C3)CC2)o1 532646651 NIAQFUWLHPLEIV-UHFFFAOYSA-N 444.333 2.324 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 534643033 BICLWLGXJFBGDV-UHFFFAOYSA-N 425.507 2.110 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 542120934 FKIVWVQBPOTNAS-SFHVURJKSA-N 426.477 2.217 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(F)c1 557849358 NPZSCTQVTMSMHM-KBPBESRZSA-N 433.436 2.034 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@](O)(C(F)(F)F)C3)n2C[C@@H]2CCCO2)cc1 559101903 NXWOQXSSBJAGEN-QFBILLFUSA-N 437.422 2.411 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)cc2C1=O 642547259 WYQVRLFCDKUDQY-UHFFFAOYSA-N 433.464 2.122 30 10 IEEE CC(=O)N[C@H](CC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 726987762 DLOJCHGMIKKADR-HXUWFJFHSA-N 431.452 2.493 30 10 IEEE Cc1ccn(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(=O)c1C#N 758183503 XWBUADHKUBIBMI-UHFFFAOYSA-N 440.447 2.011 30 10 IEEE COc1ccc(Cn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccn(C)c3)c2=O)cc1 763437620 OCMSOPNHXKNUON-UHFFFAOYSA-N 433.533 2.177 30 10 IEEE Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 766850676 PEDHMLYLHAXAKC-WBVHZDCISA-N 439.335 2.331 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)c1 768758801 UVKLUTZMPBMSJE-PNHQUUAESA-N 442.488 2.132 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cc[nH]n1 772313688 NCKPENFXEBVCGA-GFCCVEGCSA-N 427.244 2.250 30 10 IEEE C#CCN(C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 774059384 VVZUSSVDXLDZEV-FQEVSTJZSA-N 425.510 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)C1 790486056 GAPIUWGJDMQWTP-RVKKMQEKSA-N 438.475 2.174 30 10 IEEE C[C@H](CC(=O)NCc1noc(-c2cccc(F)c2)n1)/N=C1/NS(=O)(=O)c2ccccc21 793852079 AZFPRYVPQYCELP-GFCCVEGCSA-N 443.460 2.009 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCCC2(F)F)cn1 807935871 HXCOJDZUIXAYEX-HUUCEWRRSA-N 442.536 2.090 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)(F)F 811041716 GVQNMBBCCDCMND-IJLUTSLNSA-N 436.431 2.317 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 812186728 ZIPFSCKMEQLKDB-IRXDYDNUSA-N 448.568 2.125 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 919007828 BUVQGUIBWPRJIE-UHFFFAOYSA-N 438.484 2.268 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 923524516 ASQQKNWZSLIGMH-AWEZNQCLSA-N 435.436 2.413 30 10 IEEE N#Cc1cc(Cl)ncc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1128605966 IBPXNYHRXGDJJV-CYBMUJFWSA-N 446.872 2.182 30 10 IEEE CN1CCN(c2ccc(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)CC1 1135317953 GHFHECAKVVEPPF-OAQYLSRUSA-N 431.540 2.022 30 10 IEEE C#CC[C@@]1(C(=O)N(C)C[C@@H](O)COCCOC(C)C)CCCN1C(=O)OC(C)(C)C 1137238490 OGSSPJSALFWQPU-GCJKJVERSA-N 426.554 2.040 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)CC)c1ccc(Br)cc1 1141461163 PQKOWSBVYRMTBU-CABCVRRESA-N 433.393 2.301 30 10 IEEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1148696930 BJXGLUYQZFUZFM-UHFFFAOYSA-N 433.574 2.269 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 1170364420 DIEFMZOHXIVGED-OJUXWKMPSA-N 425.595 2.082 30 10 IEEE C#CC1(F)CN(C(=O)CCSCc2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 1176293910 CTIQYQVAXDXYHV-UHFFFAOYSA-N 437.518 2.277 30 10 IEEE CC(C)C[C@@H]1CN(C)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1176431188 ADQUJGHZEPLXJV-GOSISDBHSA-N 440.548 2.117 30 10 IEEE O=C(CN1CCc2nc[nH]c2C12CCOCC2)NCC#Cc1cccc(C(F)(F)F)c1 1196166714 NAMQSVSUFCKJHR-UHFFFAOYSA-N 432.446 2.460 30 10 IEEE CNC(=O)CN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 1197958696 BVFDBIVPMRWJSL-UHFFFAOYSA-N 428.581 2.174 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1213276099 FKZRBRVEVSDDQE-FGTMMUONSA-N 442.603 2.060 30 10 IEEE C#C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccc(Br)cc1 1275465828 YZAQGERNPWQQJC-FUHWJXTLSA-N 443.276 2.499 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccccc2)CC1 1286379037 CKXXQHCVUOYZFX-UHFFFAOYSA-N 446.603 2.421 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1ccnc1C 1286461159 NVSCRBBEGUCWFW-UHFFFAOYSA-N 435.532 2.438 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1286469158 DILHRRRXCPOBNB-PWRODBHTSA-N 447.624 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](SC)C(C)(C)C)CC1 1286472329 GMODAOWDLHFTKI-GCJKJVERSA-N 435.638 2.463 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2cncn2)C1 1286631935 BJXUOKHWUHWDOH-AWEZNQCLSA-N 432.941 2.455 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286670386 HMXJXFKZELLLIE-HXUWFJFHSA-N 426.613 2.497 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286706568 QAVKQAGUULAOLD-OXQOHEQNSA-N 443.614 2.122 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286714917 XYRPMKOYQFQWNG-SFHVURJKSA-N 427.505 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(F)(F)CC1 1286813706 AELIHQOMNKBPBX-UHFFFAOYSA-N 433.525 2.033 30 10 IEEE Cc1nnc(N(C)CCOc2ccccc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1290738199 ZCLIMGPTARXDNU-HNENSFHCSA-N 430.896 2.282 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1294068125 OXIDLLIIHJIBLA-QQMHEVNUSA-N 440.504 2.378 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2cnn(C)c2)c1 1300333100 VRAXYVQZBOLRRB-UHFFFAOYSA-N 426.484 2.178 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1300382310 PUCLSTCTLWVSIB-LJQANCHMSA-N 449.559 2.486 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@@H]1C 1300458755 MVCOZSFBVXZCJX-OPAMFIHVSA-N 433.553 2.002 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1300466058 TYHIPEPXFLMVGZ-IEBWSBKVSA-N 444.580 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C 1300528390 VRWUHGNOHIENQS-XMMPIXPASA-N 432.528 2.155 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nnc2n1CCC2 1300653414 MKFUFAASXCXPSI-MRXNPFEDSA-N 439.495 2.229 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1300756228 IZRLBOSTQPNVBW-INIZCTEOSA-N 438.557 2.266 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)CC1 1301123618 CSKLFWOALSCUOC-IBGZPJMESA-N 449.621 2.375 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC2CC2)C1 1301555779 BSAQFSNPLHQIJU-MRXNPFEDSA-N 431.487 2.455 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301606290 MJFXVPRTVVYHNL-FQEVSTJZSA-N 429.550 2.007 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1301612978 SKPMXGBUQYQSPO-ROUUACIJSA-N 440.635 2.352 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1301695813 FCRVASUWCLZFSJ-UHFFFAOYSA-N 444.543 2.385 30 10 IEEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)cn1 1304348042 ANBCJDDZANJUHS-MRXNPFEDSA-N 439.545 2.148 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)c1 1306887879 KNZBMVYEDWTKTJ-BHIYHBOVSA-N 446.326 2.054 30 10 IEEE C=CCN(C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br)[C@H](C)COC 1312663156 YCLVNPHGEXRQQG-CQSZACIVSA-N 448.383 2.268 30 10 IEEE CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1313591882 DXIRZQOFRYSGAI-OAHLLOKOSA-N 441.513 2.480 30 10 IEEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 1315042570 AISBOPUYAPBJBR-GOSISDBHSA-N 434.342 2.312 30 10 IEEE COCCN(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1316064824 BILFJBFZPCFJII-QFIPXVFZSA-N 428.585 2.238 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C 1316494064 LBFLHICCYYJKIC-CABCVRRESA-N 431.541 2.272 30 10 IEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C#N)C1 1358905554 DFHFJHLIPXNINL-QGZVFWFLSA-N 441.561 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCO[C@@H]1C 1358998264 XOJORWXIDGCYBP-DVECYGJZSA-N 438.528 2.259 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1359026619 FTAPYGGINFYBOD-LJQANCHMSA-N 446.573 2.076 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1 1359051088 LQGGRJASFBVLKK-UHFFFAOYSA-N 431.587 2.328 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1359112367 HVVFVGKZIBGNFO-MBSDFSHPSA-N 441.580 2.394 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1359128290 PHWIFCGUHLRFPV-UHFFFAOYSA-N 444.536 2.016 30 10 IEEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1359221434 BKNBYKPBRBAALJ-IAGOWNOFSA-N 425.599 2.245 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1359269089 NXHPRMMIJARPGV-UHFFFAOYSA-N 430.530 2.472 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359374490 FGFHDDVRKSYORS-SFHVURJKSA-N 430.459 2.300 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1360104775 WVCCFGNPNWNLBS-HXUWFJFHSA-N 438.536 2.370 30 10 IEEE N#Cc1c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cccc1OC(F)(F)F 1436659747 QVLBHJKJECXBRU-UHFFFAOYSA-N 444.369 2.467 30 10 IEEE C#CC[C@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC)C(=O)OC 1451184173 ZBSNOKFBWUUZMK-IBGZPJMESA-N 434.448 2.176 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CNC1(CO)CCSCC1)CCCC2 1460223569 CLSXDAWIPADGTG-MRXNPFEDSA-N 432.590 2.204 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C3(C#N)CCCCC3)CC2)CC1 1461691854 FLAAKLNGDSLERF-UHFFFAOYSA-N 433.553 2.277 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 1462532788 JHDOFVYYELQSIM-TWGQIWQCSA-N 425.554 2.364 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OCC 1464256320 KZCLMONRQLNBHF-SNVBAGLBSA-N 431.866 2.036 30 10 IEEE CN(CCN(C)C(=O)C1(c2ccc(C#N)cc2)CC1)CCN1C(=O)c2ccccc2C1=O 1468608874 ZRPSJOKUWNGSPW-UHFFFAOYSA-N 430.508 2.276 30 10 IEEE Cc1cnc2c(c1)N(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCN2 1470858106 HIVPTPUOOBDWIT-UHFFFAOYSA-N 425.514 2.121 30 10 IEEE C#CCC1(O)CCN(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 1471224627 GLDNDXMZARIWKR-SFHVURJKSA-N 435.565 2.352 30 10 IEEE CCc1nnc(N2C[C@H](C)O[C@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498835173 OQCUQFYTNVJEQH-STWLBSENSA-N 436.516 2.333 30 10 IEEE CCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503204009 JOAIMMSCUVTSPU-GOSISDBHSA-N 426.521 2.175 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1503406076 CMLDTRVMEZRLRO-UTKZUKDTSA-N 428.562 2.477 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCCC2)CC1=O 1503681157 DSPZROAEMMBBKV-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1COCCO1 1504447636 FBZKHCLEGPGKQU-FOIQADDNSA-N 433.509 2.436 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1CC(=O)N(C)C 1504882987 BWRXGXVNTFFLKE-UHFFFAOYSA-N 441.355 2.224 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1505115461 BAQPNWXGYPLHIA-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2cccnc2)nnc1N1CCC(F)(F)CC1 1505353753 KPXPGHQSJKPBBP-VHEBQXMUSA-N 443.458 2.026 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccsc2)nnc1N1CCSCC1 1505354881 RBRFXGDYYQAIPE-ISLYRVAYSA-N 430.559 2.010 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1OCCC1(C)C 1507522644 XJFZMTOBPWZUEB-APWZRJJASA-N 445.589 2.468 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507568765 XQPRIVRGNDNYRJ-UHFFFAOYSA-N 440.617 2.478 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507724166 JCBAWARKZDEZIB-UHFFFAOYSA-N 430.556 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN(C)c2ccccc2F)CC1 1507742666 NECVIZASMAPQQC-UHFFFAOYSA-N 426.540 2.472 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1507849166 SLYDZWZKHPMUDX-UYAOXDASSA-N 449.596 2.084 30 10 IEEE C=C(C)COCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507849194 UDMGFLGHVARQEE-KSZLIROESA-N 446.552 2.370 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1508002318 DSHAXWDAEKXNGZ-JPYJTQIMSA-N 425.533 2.133 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1508098233 ZBJHJSFDIDAZLR-HZPDHXFCSA-N 429.525 2.322 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2ccc(F)cc2)C1 1508110109 YCXMKVJMMJRJTG-GOSISDBHSA-N 442.495 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCO1 1508136241 QLVQSDHYZSIMII-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1508161230 YQSMNXKJSBVNEM-MRXNPFEDSA-N 431.541 2.009 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@](C)(O)C(C)C)cs1 1511547954 OYURUWOMCSODFU-WIYYLYMNSA-N 429.594 2.217 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCn2cc([C@H]3CCOC3)cn2)n1 1511670252 UTGHXPCKARGWJW-HKUYNNGSSA-N 437.552 2.279 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 1516978785 DHAZXNFVPHGHFA-UZLBHIALSA-N 431.541 2.320 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1517216737 BVLPYZCXJKBUPR-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE C=CCN(C(=O)c1cnc(Br)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1520934829 FQQWCBKNAKCJIS-JTQLQIEISA-N 438.141 2.422 30 10 IEEE C=C[C@H](COC)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1529849657 KARWBDDEURQFOT-DJIMGWMZSA-N 430.364 2.360 30 10 IEEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1535217608 GKPCPHRFYPCKPJ-KDOFPFPSSA-N 433.892 2.134 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CC2)cc1 1535242313 DPWSAJPTGSCOKQ-QFIPXVFZSA-N 434.496 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H]1C 1538983276 PQKWNDIROYZLIR-ROUUACIJSA-N 444.605 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1538994880 HHLBHMKAKSDKGP-IBGZPJMESA-N 430.560 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539024340 STAPEGIJMDGNSL-LPHOPBHVSA-N 443.621 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCc2ccccc2C1 1539330782 BHUQTRKBBGVXCN-NRFANRHFSA-N 444.583 2.310 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1539369514 MADLQNWOOKTQQT-CQSZACIVSA-N 426.464 2.300 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCc2cnn(C)c2)CC1 1539481581 BGGPUPBEKUAJKN-UHFFFAOYSA-N 425.581 2.199 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1539636721 LXJCJCRFECQLHY-PXNSSMCTSA-N 433.578 2.116 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccccc1F 1540069292 MEYNBSLELRMKDH-UHFFFAOYSA-N 426.452 2.197 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540151000 BMKJBELWHJYVCW-GOSISDBHSA-N 439.564 2.263 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCC(=O)N2)C1 1540895952 CHYZKGHNNULXLT-MOPGFXCFSA-N 425.533 2.479 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1541154875 OTRWDSLWPMTFAU-HNNXBMFYSA-N 432.550 2.093 30 10 IEEE C#CCN(C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1542210963 GEMNKKRQZBQWES-SJKOYZFVSA-N 446.472 2.085 30 10 IEEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1546785693 CFZVTCQOAHBHHT-ARJAWSKDSA-N 435.532 2.357 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)CC1 1555596894 CKYJYPWXYANRPD-QGZVFWFLSA-N 430.578 2.249 30 10 IEEE C#CCOCCN(C)C(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1558865566 NQQXJIGEGLRTIA-RUZDIDTESA-N 431.492 2.274 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cccc(-n3ccnc3O)c2)c(=O)c1C#N 1558973357 OHVFVAXSUNATBN-UHFFFAOYSA-N 428.246 2.375 30 10 IEEE COC(=O)c1cccc2c1OCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 1560189593 BUMCIYKEUTWRGL-UHFFFAOYSA-N 431.452 2.364 30 10 IEEE N#CC[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(F)(F)F 1584793405 CKTODRAUVWNQJG-ZDUSSCGKSA-N 431.212 2.481 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1587856594 NPKPZKSOJVDGLE-KRWDZBQOSA-N 431.518 2.181 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1589578188 GSOHZROPFFGVPS-UHFFFAOYSA-N 433.578 2.412 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCSC2(CCOCC2)C1 1595555670 GTTFSDJVJBWGNZ-UHFFFAOYSA-N 445.564 2.413 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOCC1 1595659447 YRRDZBYWFXWWMF-HXUWFJFHSA-N 427.549 2.164 30 10 IEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1595850795 UDMLJHQOMBBIAP-HDICACEKSA-N 448.545 2.452 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1596798195 FXHIMCRPNMTYEE-NSHDSACASA-N 425.371 2.128 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CCO2)c1 1598448556 JNXUPXLIMIKOMM-FUHWJXTLSA-N 431.539 2.059 30 10 IEEE C=CCCCN(CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1603299257 YJRYLTAKGAJMMT-UHFFFAOYSA-N 439.553 2.254 30 10 IEEE Cc1ccc([C@@H](Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)N(C)C)cc1 1611988394 ASRHTMCDUDSWHD-JOCHJYFZSA-N 447.591 2.438 30 10 IEEE COC(=O)c1cc(C)nc2nc(SCC#CCN3C(=O)c4ccccc4C3=O)nc(O)c12 1613497551 BIBDZAKWJIQWJP-UHFFFAOYSA-N 448.460 2.217 30 10 IEEE C=CCN(C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)[C@@H](Cc1ccccc1)C(=O)OCC 1616305154 BXWLXKXAILDKTP-INIZCTEOSA-N 449.529 2.152 30 10 IEEE CCOC(=O)C1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1617991231 ZYDBFINFEKMPFI-UHFFFAOYSA-N 435.546 2.135 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC[C@@H]1C 1619517765 SOXIKOBOOFUIDA-LPHOPBHVSA-N 446.577 2.006 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCCCOc2cccc(C#N)c2)CC1 1627647371 XBDYCSACCSYNOR-UHFFFAOYSA-N 429.517 2.367 30 10 IEEE COc1ccc(-c2nn(CC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2C=O)cc1 1628796805 OPIDXXGVCQNMMT-HXUWFJFHSA-N 431.452 2.318 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1629769846 IZSASRGPDMDHRY-SFHVURJKSA-N 432.542 2.337 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1636392889 YSLUJWQDMYLITL-LSDHHAIUSA-N 436.896 2.412 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1636699157 DBAQLLFDVUEHOH-ZBFHGGJFSA-N 445.379 2.293 30 10 IEEE CNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1640508980 FFRZUCLDHNCHGY-UHFFFAOYSA-N 440.569 2.180 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1642483676 FYAMZHBEMWGXRS-AVRDEDQJSA-N 425.554 2.357 30 10 IEEE C=C(C)C[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OC 1642698246 NZVALANLVPHQDS-IFMALSPDSA-N 449.507 2.124 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](C)N(CCO)C[C@H]2C)cc1 1643486366 KQPMDPYPMCDJSB-IAGOWNOFSA-N 439.560 2.300 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1 1654481718 GJNWVDUIOZEDRR-AWEZNQCLSA-N 431.308 2.052 30 10 IEEE CC(=O)Nc1cccc2c1CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)CC2 1655302848 LPLXCYGBWVYGMQ-OAQYLSRUSA-N 437.569 2.474 30 10 IEEE N#C[C@@]12CN(CCC(=O)N[C@H](c3ccccc3)c3cccs3)C[C@H]1CS(=O)(=O)C2 1655683582 HMRVMXWBQJJOHK-WMQCIHAUSA-N 429.567 2.214 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1)[C@@H]1CCCO1 1671890182 YKMNRRVRPAUGAY-QMMLZNLJSA-N 433.574 2.397 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)C1 1681434919 RTWHZGRVBLYVED-YESZJQIVSA-N 426.521 2.335 30 10 IEEE C#CCN(C(=O)NCCS(=O)(=O)C1CC1)[C@H]1CCOc2ccc(Br)cc21 1683344968 VGDQASNDJKWEDT-INIZCTEOSA-N 441.347 2.495 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1689848463 VWRQXDVGFIDNLW-QLCIJSRNSA-N 440.573 2.197 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1nc(C)cc1C 1689961135 MIAYTBDVSYRCDD-UHFFFAOYSA-N 430.516 2.165 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1689980535 UCMJERONVZJRFV-OALUTQOASA-N 449.621 2.211 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1690190556 YPBAFKOATDQLBS-ZQGRQUNCSA-N 434.566 2.289 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCN(C)C(C)(C)C2)CC1 1690399227 RBWANIFPMDLKNT-IBGZPJMESA-N 434.629 2.431 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(c2ccnn2C)CC1 1690674664 AOTKLOIGVDBDGK-UHFFFAOYSA-N 433.560 2.483 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1692343385 DRIUMERCMHBZCK-UHFFFAOYSA-N 446.577 2.203 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCO1 1692543246 SVOURSFYYFGSAX-UXHICEINSA-N 438.532 2.435 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1698058484 HFLGJULZLDHJSE-UHFFFAOYSA-N 437.548 2.294 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(-n2cccn2)cc1 1705540582 GCSZQTIIRRHERF-UHFFFAOYSA-N 426.484 2.423 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705559784 BJKAXPHQBLYSOF-YLJYHZDGSA-N 436.965 2.386 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705569246 FJDLEHABWCAWDC-VQIMIIECSA-N 446.548 2.464 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1705596709 LWRPATCOZQCBDQ-HNNXBMFYSA-N 446.433 2.185 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705656717 GSDSPEYMTCIZFJ-QFIPXVFZSA-N 438.557 2.126 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705658586 UGKVHHGDBUGPKM-QGZVFWFLSA-N 429.594 2.034 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705662688 HKXASSDSXQIFSA-OAQYLSRUSA-N 440.617 2.179 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728247 CTSMKYYFAUYRTH-QFIPXVFZSA-N 434.585 2.479 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCS(=O)(=O)CC2)CC1 1705775508 BMPAJAQETVUDJA-UHFFFAOYSA-N 437.610 2.424 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1705792378 RXDRMUHWINFDSY-KRWDZBQOSA-N 437.566 2.443 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705822561 JGEKPVBIMKKECH-IEBWSBKVSA-N 425.489 2.055 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705936211 LUNQOUQETBMDPG-RTBURBONSA-N 448.593 2.119 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CO)CC1 1705941426 JYRWTNDJLXUWLT-UHFFFAOYSA-N 426.550 2.049 30 10 IEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1705942413 RDQMMTYRQLNSNL-UHFFFAOYSA-N 431.562 2.168 30 10 IEEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccsc1 1710992041 BWOFISDGIOCGBX-MJGOQNOKSA-N 435.557 2.493 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1712502700 VNVKRNPBRUSXKL-UHFFFAOYSA-N 436.438 2.358 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1722357981 BRXSWTGIWVZBPV-IBGZPJMESA-N 446.573 2.102 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1722368395 QZTHMABXIOIFSJ-SFHVURJKSA-N 431.562 2.089 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OCC)C1CCCC1 1722384910 ZONWAQRNAVILRO-PMACEKPBSA-N 432.590 2.238 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCn1cc(Br)cn1 1722429098 NPHRGUZIZRETLM-INIZCTEOSA-N 437.342 2.265 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1722629933 PZKJVPSHDNJXAH-QGZVFWFLSA-N 426.583 2.167 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722703036 UYHUUXYWJJEDLU-ROUUACIJSA-N 429.569 2.082 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1F 1723772092 JFVCXWNRSCQWTP-ZDUSSCGKSA-N 427.440 2.357 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1728357642 GSBTUMZIGJLBTE-UHFFFAOYSA-N 441.580 2.370 30 10 IEEE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1F 1729329877 OCCJOKSNBZYZRJ-UHFFFAOYSA-N 425.512 2.394 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1729762326 FRGPUNPHOOHHIJ-HNNXBMFYSA-N 427.415 2.456 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C[C@H](C)O1 1730607984 BOGRJKSLFPFZOC-OXJNMPFZSA-N 438.488 2.314 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCOCC4(CC4)C3)n2CC(=O)NCC(F)(F)F)c1 1731182114 UTVIUUPRHXFAME-UHFFFAOYSA-N 434.422 2.112 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C2OCCO2)c1 1740612998 PPQDUEVTLYLPCT-UHFFFAOYSA-N 437.525 2.433 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1nc(C)no1 1740670414 PFLRVWUVDLAQFM-UHFFFAOYSA-N 435.536 2.236 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 1740687432 DOTYQZUBGAKNHD-QGZVFWFLSA-N 445.568 2.325 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCO[C@H](C)c2ccccc2)CC1 1740689564 YFYNUDWCPGVNDX-HXUWFJFHSA-N 438.576 2.339 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCC[C@H]2C)CC1 1740696871 JCLANRVPZKBPIU-UZUQRXQVSA-N 429.515 2.453 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C(C)C)CC1 1740697400 CMLFKLXLCGOHSO-UHFFFAOYSA-N 446.502 2.074 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)CC1 1740714065 VRRGVWWIALRELX-UHFFFAOYSA-N 429.546 2.045 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1740782068 AMMZWSPAAYOOEA-MRXNPFEDSA-N 425.580 2.193 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1740833947 ZNCZXDNKGFCJMI-WMZOPIPTSA-N 447.609 2.373 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(F)cc(C)c2C1 1740952760 MWMGBEVWGLAESE-MRXNPFEDSA-N 431.512 2.315 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@](C)(O)c2ccccc2)C1 1740979973 MFNWPNREYNPJAU-MSYCTHLASA-N 425.533 2.308 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1746474079 FIZWDKXYWJQWFG-QGZVFWFLSA-N 448.531 2.226 30 10 IEEE CC[S@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1747452132 TUKCSJCQKGUZNR-DXPJPUQTSA-N 443.346 2.257 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(CS(C)(=O)=O)CC2)c1 1748691206 AOGQRRXHAQIEHI-UHFFFAOYSA-N 443.573 2.283 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1748816326 YZJSJWRUVRLOJS-LJQANCHMSA-N 428.558 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1nc2c(s1)CCCC2 1748948428 MISJYXXCJREZSR-UHFFFAOYSA-N 430.578 2.080 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(C)cc1 1748962851 SCDYVELHDWVLMI-RTBURBONSA-N 446.573 2.042 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)C2CC2)CC1 1748977020 CBKOLKKHMMBYMG-SBUREZEXSA-N 427.524 2.473 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749038225 IVSULYWAWJHENV-KRWDZBQOSA-N 430.553 2.399 30 10 IEEE C#CCSCCn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749049119 XVFOPNPXCPIDIT-JOCHJYFZSA-N 449.621 2.134 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749390137 AVWFASIIXYLHNY-SJORKVTESA-N 441.598 2.019 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1749465036 LGOZWNYFRZBFCO-LSDHHAIUSA-N 445.549 2.364 30 10 IEEE C=CCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749606105 IXKHZWQIZXQSPP-WCVJEAGWSA-N 439.582 2.104 30 10 IEEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 1751749290 IDIUGJQKLUYIGB-INIZCTEOSA-N 428.543 2.253 30 10 IEEE Cc1nccnc1CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1751814875 DCJKIRBPNITFFP-SFTDATJTSA-N 429.500 2.102 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C\CC)c1 1760128279 DGNDZVBSRPBAEU-MJRGOJFPSA-N 441.557 2.203 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760180746 KOPQQFHXGQJJCH-INDMIFKZSA-N 438.594 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nncn1C 1760199017 SNQQBKHSENHTII-UHFFFAOYSA-N 427.468 2.367 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1760208650 HOAJJNBTBIFAPK-YKSBVNFPSA-N 441.576 2.388 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760565457 XQFKAQYSRACMKI-CYBMUJFWSA-N 431.484 2.496 30 10 IEEE CC1(C)CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1761555211 OLHVVRHGJMPBKA-OSCRUYLVSA-N 428.537 2.325 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1762611881 SHOOTEPKJNZWBO-UHFFFAOYSA-N 440.552 2.483 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1765158367 HNFNDPHNWIXLKZ-IBGZPJMESA-N 446.577 2.150 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1767866153 POTVLOJJMPXPNU-MSOLQXFVSA-N 436.516 2.121 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 1770335576 FTJFFLLJTXCJLY-UHFFFAOYSA-N 436.335 2.350 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(N3CCC(C#N)CC3)CC2)c1 1848888551 XJRMXCNBDXJCHO-QFIPXVFZSA-N 444.601 2.375 30 10 IEEE N#CCCN(Cc1cccnc1)C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 1851724542 PAILCUDMWCQYIU-OAQYLSRUSA-N 432.590 2.393 30 10 IEEE Cc1ccc(C2=NOC3(CCN(C(=O)c4cnc5c(C#N)c(C)nn5c4C)CC3)N2)cc1 1852734310 UGDVXEFGRRDARW-UHFFFAOYSA-N 429.484 2.440 30 10 IEEE Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1F 1854415086 YABWCHBCPKCWFL-UHFFFAOYSA-N 435.521 2.294 30 10 IEEE N#Cc1ccc(CCC(=O)O[C@H]2CON(S(=O)(=O)CCOc3ccccc3)C2)cc1 1855470641 NALADIDPBNKENY-HXUWFJFHSA-N 430.482 2.059 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cc(F)cc(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855735446 LZGCYNRSEIJEEY-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1 1856223553 XBACEEGLLOOTBB-CQSZACIVSA-N 431.901 2.415 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862595575 HBIGVBBYGUSNFZ-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2nc(O)oc2c1 1872597674 ZDZIHLHEYDDFJH-SFHVURJKSA-N 440.481 2.207 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccc(OC)c(OC)c3)C2)CC1 1872912841 CYICMVGUBNRQSI-VQIMIIECSA-N 443.544 2.154 30 10 IEEE COc1ccc(N2C[C@H](C(=O)NCC#CCOc3ccccc3OC)CC2=O)cc1OC 1891035685 JXKVZMAPLNLIHE-QGZVFWFLSA-N 438.480 2.264 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 1962795155 JVOHECWQSBRFHK-LBPRGKRZSA-N 434.278 2.073 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1984785258 XURWBXXJTKTGMS-UONOGXRCSA-N 429.514 2.330 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1993687721 ZCUJYLSGLGHXOO-ARFHVFGLSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#N)(Oc2ncnc(O)c2I)CC1 2021585382 HDAHFWRWLLGMTO-UHFFFAOYSA-N 446.245 2.459 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060639857 MUXBDWUKPWGTON-NVXWUHKLSA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N1C[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@]2(C)C1 2124538812 NPUUDJBVMZJFJA-VXKWHMMOSA-N 444.341 2.361 30 10 IEEE C#CCN(CCO)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229115711 HQGHTSIRQCREIP-INIZCTEOSA-N 425.323 2.339 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCNC(=O)OCc1ccccc1 2243400789 HWHCPLHGMURETG-UHFFFAOYSA-N 441.337 2.463 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243423149 SXLLPYRMXSIXJM-NEPJUHHUSA-N 425.360 2.474 30 10 IEEE CC[C@@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243423342 XLIKPUURGIJGJU-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2244007448 NKKSEFFJPBKZDP-HOTGVXAUSA-N 427.542 2.027 30 10 IEEE C[C@@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247837694 WQSWPZPIWXJNKX-NSHDSACASA-N 442.753 2.016 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405585 VHWWCSFWJHQISC-GFCCVEGCSA-N 441.359 2.047 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248439809 BYQHCIAUARGCGQ-CQSZACIVSA-N 435.355 2.330 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2255669344 NATDUUPEKBWLTN-INIZCTEOSA-N 433.358 2.454 30 10 IEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825622 CHLPJJGQYRVTMG-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2258231686 QTMHAIDTJFVPHF-UHFFFAOYSA-N 447.288 2.034 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2259927540 YYERERFEJAQVIX-RCDICMHDSA-N 431.342 2.301 30 10 IEEE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090906 NZKQWSBUMUCQGJ-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267107645 BFYNECKDBRCBIL-ZWKOTPCHSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267174192 SCKVESNHFBJUGU-GDBMZVCRSA-N 446.357 2.199 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178901 ISVXUUYJTCKWKI-IBGZPJMESA-N 438.381 2.361 30 10 IEEE CC[C@@]1(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2267180672 HONPVDHUDIGBRW-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2267548647 UDCFXSZVMVVTKQ-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267813007 KDVQWHXALIOEOV-SWLSCSKDSA-N 448.325 2.040 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1OC 2297062225 YLVGBXTXPQJODZ-LJQANCHMSA-N 425.485 2.472 30 10 IEEE COCCNC(=O)COc1ccc2c(c1)OC(=Cc1ccc(OC)c(OC)c1OC)C2=O 2297591782 ZYGPYWRLGRRCQT-UHFFFAOYSA-N 443.452 2.470 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(OC)c2)cc1 2328565793 DPTWQKYKQAKCNX-UHFFFAOYSA-N 441.513 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]1C2 2334258188 RXTXZARGCSDGFT-AYSMAOOMSA-N 448.325 2.133 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2352397161 GGQLKBNESHLCIB-CQSZACIVSA-N 448.373 2.237 30 10 IEEE COC(=O)c1cc(Br)ccc1-c1ccc(/C=N/NC(=N)c2nonc2N)o1 2992589 OJINNRUROKXTBU-IFRROFPPSA-N 433.222 2.410 30 10 IEEE C/C(=N/OCC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 97998278 SAIANXCYLIEXMF-MXAYSNPKSA-N 438.396 2.388 30 10 IEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1 102691578 QNVCIOGWBCBELW-AGGMBTAESA-N 437.496 2.234 30 10 IEEE Cc1cc2c(N3CCN(CCS(=O)(=O)c4cccc(C#N)c4)CC3)ncnc2s1 444716001 IIZIPFPDXBMGSP-UHFFFAOYSA-N 427.555 2.467 30 10 IEEE Cn1cc([C@H](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C(F)(F)F)cn1 447374644 QHSACKAKOODTEP-YOEHRIQHSA-N 426.468 2.084 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 460385015 HQDLEOMBAAUXBJ-FQEVSTJZSA-N 441.532 2.190 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 461294260 NBGLMCKWFFMGJR-IBGZPJMESA-N 446.486 3.006 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@@H]1CCCO1 461369739 FEPKYIAXGFJQOY-LPHOPBHVSA-N 440.565 2.353 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2cc3ccccc3[nH]2)cc1 463642719 GZNWKRBFZUZFTD-LJQANCHMSA-N 433.493 2.310 30 10 IEEE O=S1(=O)CCc2ccc(S(=O)(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc21 476996543 PGDTVJBRRHOGAY-UHFFFAOYSA-N 429.441 2.365 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 483499377 AMWLTFGVTCSTOJ-IRLDBZIGSA-N 443.931 2.483 30 10 IEEE CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 486433190 JFHNMYGNOLNVMA-UHFFFAOYSA-N 446.916 2.317 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)cc1 487136633 YDZIRTOVFGEGIA-UHFFFAOYSA-N 443.525 2.184 30 10 IEEE COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@H](C)Oc2ccccc2C#N)cc1 487257321 CVROEGJXFJOTPT-INIZCTEOSA-N 431.514 2.255 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1cc(C)ccc1C 516374934 DISIGZPXPLRDKY-UHFFFAOYSA-N 447.560 2.390 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4cccc([C@]5(C)NC(=O)NC5=O)c4)no3)cc2C1=O 544425582 SVQWSTXGJXRXNM-QHCPKHFHSA-N 443.419 2.240 30 10 IEEE Cc1nsc(N2CCN(CC(=O)N3CCN([C@@H](C)c4ccccc4)CC3)CC2)c1C#N 580840023 SPBBGBFDUNFHPD-IBGZPJMESA-N 438.601 2.351 30 10 IEEE N#Cc1cc2c(nc1NC[C@@H]1CCCCN1CCn1nc3c(cc1=O)COCC3)CCC2 585625516 KZEHMQJRJUVUIS-FQEVSTJZSA-N 434.544 2.038 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1C[C@H]1CCCO1 603798188 JLMCMHNIQILKHH-LJQANCHMSA-N 439.581 2.240 30 10 IEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C 603799366 MPUDZBSJHDMWBI-UHFFFAOYSA-N 447.560 2.253 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 611604667 ANIRKWGQCWBAEA-SFHVURJKSA-N 429.498 2.379 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)c(O)c3)CC2)cc1 619580880 URVSDALMHHCLOG-UHFFFAOYSA-N 439.415 2.429 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1OC 729427136 GHOISVDBEKVPOI-LJQANCHMSA-N 443.525 2.486 30 10 IEEE Cn1c([C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc2)nc2ccccc21 732457443 HEKPFIFSDIDCQO-ZQKSFYQXSA-N 444.495 2.488 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCN1C1CC1 732706178 HUFLRLQIHJVLJN-MRXNPFEDSA-N 433.965 2.030 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(C(N)=O)cc1 733200349 DBKHFXVMGPGADP-LJQANCHMSA-N 434.521 2.447 30 10 IEEE COc1ccc(-c2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)n[nH]2)cc1OC 751823009 JXBOIISDLFNKIZ-UHFFFAOYSA-N 426.454 2.225 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(C#N)cs1 752590167 AWQWYYATFAWAJG-LLVKDONJSA-N 437.499 2.063 30 10 IEEE C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 755058939 GYMMDPFVZAJXRQ-JCNXWTJJSA-N 439.285 2.345 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H]2CC23CCCC3)C1=O 757914824 IDIVQFBYZJHUGN-SAOIJKDLSA-N 443.617 2.325 30 10 IEEE CCC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)C1 761847591 BAGPRLYCUYLYJD-IAGOWNOFSA-N 432.521 2.437 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(Cc2ccn(C)n2)C1=O 765543796 ODXPOQOWKVAERE-AWEZNQCLSA-N 437.428 2.009 30 10 IEEE C#CCN(C(=O)Nc1ccc(OCC(=O)OC)c2ccccc12)[C@H]1CCS(=O)(=O)C1 774044793 CQPUVWSWLYLUHP-HNNXBMFYSA-N 430.482 2.046 30 10 IEEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 774187193 DPGLJOZNWJRVGC-INIZCTEOSA-N 427.567 2.046 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n1 789322486 JZKXZSAZRVDERI-WOJBJXKFSA-N 439.560 2.217 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cccc(-n3cccn3)c2)n1 789967198 JDGSEFMBEVLTCJ-GOSISDBHSA-N 434.529 2.493 30 10 IEEE C=CC[C@@]1(C(=O)NCC(C)(C)N2CCS(=O)CC2)CCCN1C(=O)OC(C)(C)C 790638018 ZGVUXROPAQMTHQ-NRFANRHFSA-N 427.611 2.291 30 10 IEEE COc1cc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1C#N 793266448 SZHRMAHKPUJDEM-GOSISDBHSA-N 440.525 2.336 30 10 IEEE COCC1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCN(C(=O)OC(C)(C)C)CC1 793820197 SQYHXBFNKIQAKA-UHFFFAOYSA-N 443.548 2.266 30 10 IEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNc2ccc(S(C)(=O)=O)cc2)C1 794492248 JIWPJLLNHQFJKN-HNNXBMFYSA-N 438.550 2.251 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812291484 BSNFWWYFPSBODF-SJORKVTESA-N 439.541 2.232 30 10 IEEE C#C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(F)cc1 812753503 LDELYPLGOWUUGI-LJQANCHMSA-N 425.485 2.477 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2N=Cc2nc(C#N)cs2)c1 814727098 IBTFLJFCGHBOOV-UHFFFAOYSA-N 447.571 2.475 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1129071194 LAYNQHWGAJTEBC-LSDHHAIUSA-N 445.516 2.386 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCc3c(CC#N)cccc3C2)C1=O 1132004583 KKTIGWJTEMEMHH-RUZDIDTESA-N 446.507 2.422 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1141570805 QGAUKNFHVDDWMU-PKOBYXMFSA-N 442.516 2.349 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)C1 1177759418 PABZHXIXWVHQGS-KRWDZBQOSA-N 425.533 2.275 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1255242396 NCCWXGJZHGZBAZ-UHFFFAOYSA-N 440.569 2.422 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(C)C)c1 1286311354 HJWBFPLBKFOLAU-IBGZPJMESA-N 448.575 2.146 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286325247 TZASSGMKYKQFOT-SFTDATJTSA-N 442.608 2.456 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1286348578 MFIYTHPRIJFIBC-LJQANCHMSA-N 447.543 2.193 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1286476361 VCPTUHJSWPTNMH-HKBQPEDESA-N 434.569 2.022 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286508938 YWLUUQJDRFLJLB-UHFFFAOYSA-N 441.605 2.260 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286607078 AYURFTCSMOBKEF-LJQANCHMSA-N 443.504 2.272 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNS(=O)(=O)CC)C1 1286802817 WNCOLCXDTXOOBU-QGZVFWFLSA-N 445.545 2.412 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(C3CC3)c(C#N)c2)c1 1288303592 TZWRYWXPGJWOCW-UHFFFAOYSA-N 428.514 2.267 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 1290699418 OPKRKRATTNVKSL-IBGZPJMESA-N 429.517 2.286 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)s1 1293846009 XBGHUZQAECBLQP-OAHLLOKOSA-N 443.591 2.174 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2nncn2CC)CCOC1 1296535212 CXALBHIOPGQOIP-QFIPXVFZSA-N 436.520 2.098 30 10 IEEE CCOC1CC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)OC)(N2CCOCC2)C1 1296917370 BOWWFERRYLFIMO-UHFFFAOYSA-N 426.521 2.084 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1 1297778644 CDNBFZPKQFYEEY-UHFFFAOYSA-N 427.534 2.106 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC(C)C)C1 1300340365 XZQBQNOEQHJKJD-SFHVURJKSA-N 426.521 2.359 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)c1 1300369470 FLMHSHOBRLFURU-VGSWGCGISA-N 428.512 2.364 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1300384543 RMNQXTCFAOKOFR-INIZCTEOSA-N 435.525 2.052 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1300721910 CRNCVXIGKCTVSA-RBUKOAKNSA-N 436.560 2.429 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](NC(C)=O)C1 1300831057 QQLNXKJIGKZUBS-UKRRQHHQSA-N 430.347 2.016 30 10 IEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OCC(N)=O)c2)CC1 1301092437 UEYHZDOWRFEANY-UHFFFAOYSA-N 435.532 2.209 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CCS(=O)(=O)CC1 1301180716 DONAWURBPQIBQW-UHFFFAOYSA-N 447.557 2.196 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1301489910 GPSJOEIBGUFFIR-UHFFFAOYSA-N 442.951 2.349 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCCC1 1301499223 ACARYPKYTWPBTP-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1301836639 NVFWZUSUZZZQPX-SFHVURJKSA-N 430.459 2.346 30 10 IEEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1306763161 UYFZLJPMEIGKEO-UHFFFAOYSA-N 446.577 2.105 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(CN4CCNC4=O)cc3)C2=O)cc1 1312485780 NSVOLJGPZGDPSR-OAQYLSRUSA-N 446.511 2.078 30 10 IEEE Cn1nncc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1314935108 HQEFGRFHXMXAPY-QGZVFWFLSA-N 449.263 2.465 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2scnc2C)CC1 1315054358 BLZXMMDEEODHSD-UHFFFAOYSA-N 436.545 2.286 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)OCCc2sccc21 1316210598 PXNLHAFILSTXCU-ZOCZFRKYSA-N 447.561 2.280 30 10 IEEE C[C@H](OC(=O)C1(c2cccc(C#N)c2)CC1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1319915060 DQAIGQOQQSLRJI-GJZGRUSLSA-N 441.509 2.046 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1357252747 SJWPKOOJXBOGRX-UHFFFAOYSA-N 428.351 2.035 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1358886121 XVQRBRBDQMWXBM-OOHXQLJPSA-N 429.484 2.411 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1358903630 DRQDJFZHOCBUMR-UHFFFAOYSA-N 435.454 2.413 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359052785 QAZLEPOEOBNWFZ-GOSISDBHSA-N 443.573 2.434 30 10 IEEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1359244722 OGAIACLMIHDZOB-UHFFFAOYSA-N 444.605 2.365 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1359291228 ISDGZJSASGACRT-APWZRJJASA-N 440.548 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](CC)C1 1359334785 QUELFTCUPHVRKK-SFHVURJKSA-N 434.562 2.382 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1359338663 CTDDQNNURUTXEY-UHFFFAOYSA-N 436.969 2.208 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1359468262 INWWQGRAGRZOHN-CYBMUJFWSA-N 444.446 2.353 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)c1 1443991000 SAZCZXFPXVGFKS-UHFFFAOYSA-N 446.550 2.424 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1457997097 QXXPVMNXSOXXRY-YADHBBJMSA-N 437.537 2.486 30 10 IEEE COC1(OC)CCOC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1460723795 OVQFSGPRUQYJGX-FQEVSTJZSA-N 426.517 2.331 30 10 IEEE CC[C@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)c1ccccc1OCC(=O)N(C)C 1477511123 FGZSXHJZTZBTMV-KRWDZBQOSA-N 430.505 2.093 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1478854354 OBSCOEAKUQHVBY-VXKWHMMOSA-N 428.577 2.247 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H]1C[C@H](F)C1 1503109766 QBODJKKMWCWDIG-BRWVUGGUSA-N 428.516 2.330 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C1 1505016594 CXPAQEMBZKYTJI-HXUWFJFHSA-N 440.548 2.317 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCO[C@H]2CCOC2)cc1 1505315211 IXVFPSCGKXIDAK-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1507582133 CFDUBZZZSLZVRD-QGZVFWFLSA-N 449.559 2.468 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1507627526 KBFZJOABASEPOK-XMSQKQJNSA-N 446.573 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507656044 FASKPCMLPZCMGN-SIKLNZKXSA-N 425.558 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1507734316 UVGDZOFFXKHAPA-UHFFFAOYSA-N 442.608 2.190 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1507763373 BGXSKNQFPJJJLW-AUUYWEPGSA-N 434.591 2.046 30 10 IEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1507869782 XRPIQOQLAJYRFW-HUUCEWRRSA-N 438.916 2.068 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507911806 ASHGHYWTNJSUCK-UHFFFAOYSA-N 435.598 2.141 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)[C@H]1CC 1508103181 FREVCYYUSDQMIQ-RBUKOAKNSA-N 425.533 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCOC2)C1 1508126610 IGNQBTXVYVHXEJ-CVDCTZTESA-N 428.533 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](CCOC)C1 1508135667 KWFPCIFAKKTFKU-INIZCTEOSA-N 448.545 2.137 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1)N1CCOCC1 1510074873 BQNVIBQAUHPZAA-WIYYLYMNSA-N 440.548 2.065 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(N)=O)c1 1512938587 NQHCFTIGKWNCDX-AWEZNQCLSA-N 431.500 2.474 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC(C)CC2)CCOC1 1516228877 OUHHUBOKYDOGEP-NFBKMPQASA-N 446.596 2.171 30 10 IEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1519529271 RYPOVDAAADKFAN-HNNXBMFYSA-N 439.488 2.255 30 10 IEEE CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1C 1529028604 IBDWFNVFXGVASS-UHFFFAOYSA-N 444.513 2.113 30 10 IEEE CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1529393241 NRQGXRFNPNWFCG-KRWDZBQOSA-N 430.464 2.056 30 10 IEEE COC(=O)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(C)c1 1536383511 IDLRJXGKVXVBKC-UXHICEINSA-N 448.479 2.492 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539210328 CUCJQMNOBOHUGZ-OAQYLSRUSA-N 441.601 2.446 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC(=O)N2)CC1 1539431360 UFIXNYZOLVLCEG-FUHWJXTLSA-N 442.951 2.105 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)CC1 1539452622 WEHBKPUHNDYZSA-QFIPXVFZSA-N 429.952 2.083 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)c2cccs2)CC1 1539453478 LNAMSZIMRFCHJS-UHFFFAOYSA-N 448.596 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)C2CCCC2)CC1 1539480844 FJKQCWQZSKKJDN-NRFANRHFSA-N 442.608 2.360 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1539968131 WTZFLSOJLDKEPF-OAHLLOKOSA-N 435.516 2.221 30 10 IEEE C#CCN(CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C(=O)OC(C)(C)C 1541104443 COBBCQSWNRQXST-UHFFFAOYSA-N 428.533 2.193 30 10 IEEE CCc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1546538645 DRJWYUIWYPLCER-LINNUKDLSA-N 449.559 2.078 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1554371594 AIBDLWIKNMGMHH-UHFFFAOYSA-N 449.481 2.273 30 10 IEEE C[C@H](C(=O)Nc1ccccc1-n1ncc(C#N)c1N)c1ccc(S(=O)(=O)N(C)C)cc1 1556535098 JAUMNPDFXNQTCK-AWEZNQCLSA-N 438.513 2.319 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 1557172442 LTVUAABWJLIQHF-DNZUHHBVSA-N 427.379 2.041 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1ccc(C(N)=O)nc1 1566367830 VTYALUDDZSQKGE-LJQANCHMSA-N 435.484 2.203 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1587804047 SHQMPOUAQNRBBW-UHFFFAOYSA-N 438.580 2.378 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1Cc1cccc(N2CCOCC2)n1 1588158962 NICNCGHSBVIPDU-UHFFFAOYSA-N 440.551 2.416 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1588800483 IMCJVEKVWRXAEY-BGYRXZFFSA-N 438.624 2.190 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589544491 HYBDJWVACIWBDV-FUHWJXTLSA-N 444.580 2.369 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC)C1 1593703676 MGRACOKOLUEVBV-OAHLLOKOSA-N 440.342 2.480 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(C)(=O)=O)CC1 1594218968 ZQRLTGOXHGCQIU-UHFFFAOYSA-N 426.546 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C(=O)NC 1595501054 KSNROVMVSBVZKA-LBPRGKRZSA-N 439.347 2.372 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2C(C)(C)C)cc1 1595639944 OWMIKYCOHROMST-UHFFFAOYSA-N 433.578 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCO[C@@H]2C)C1 1595729839 PYCSTHNAJDBUCD-MCFFVMPBSA-N 434.487 2.468 30 10 IEEE CC(C)C(=O)NCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1598080447 OIJNDWIFOGCAHF-UHFFFAOYSA-N 438.580 2.331 30 10 IEEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1608104254 JZTXSLJEGYNUDY-UHFFFAOYSA-N 432.464 2.214 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cs1 1612402127 COQWDUIYULUULM-NRFANRHFSA-N 446.600 2.102 30 10 IEEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(S(C)(=O)=O)CC1 1613981948 FVJKTWBADHWMQT-UHFFFAOYSA-N 429.546 2.337 30 10 IEEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1615438233 FAYIPJRTEFVHQH-LJQANCHMSA-N 430.578 2.172 30 10 IEEE CCN(CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1615656285 FGQVBLYUEFQCSE-SFHVURJKSA-N 441.536 2.250 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 1620594083 GNRIPXUNXBKVMD-FPOVZHCZSA-N 432.540 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC1CC(N2CCOCC2)C1 1627257398 UGSRGOILOUZYEJ-GRERDSQWSA-N 440.544 2.372 30 10 IEEE CC(C)(c1nnc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)o1)S(C)(=O)=O 1636402662 WRDBFCYPCCDRNM-NSHDSACASA-N 427.280 2.106 30 10 IEEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)CCOCC1 1642708356 OOMTZTBTAAHXNH-NVXWUHKLSA-N 427.423 2.129 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N(CCS(=O)(=O)c1ccc(C#N)cn1)C2 1644244008 YVBUQWDGPCOXJK-BPQIPLTHSA-N 434.562 2.352 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1644887590 RTFBZBVDPFVECE-UHFFFAOYSA-N 438.321 2.307 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1654811935 SPPMTYYGUXGBQB-UHFFFAOYSA-N 444.509 2.315 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1oc2ccccc2c1Br 1666566942 RQZOZGRSKKQRLB-LLVKDONJSA-N 432.317 2.006 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)CC1 1674040654 GCBIXVLTWWAZNB-UHFFFAOYSA-N 426.517 2.451 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1)C1CCOCC1 1684037367 XZZOMLOHXKMUPX-WIYYLYMNSA-N 427.545 2.299 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)CC1 1684696672 CYBCFBRWXCROBF-FQEVSTJZSA-N 436.553 2.242 30 10 IEEE CN(c1cccc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1)S(C)(=O)=O 1685701261 QIODZMLXKFQOSR-HXUWFJFHSA-N 428.514 2.237 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1686056267 VBCSROZAISTTHU-MOPGFXCFSA-N 427.505 2.475 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCCN4CCSC[C@@H]34)CC2)c1 1687597108 XNWAIKJACXAZTG-PMACEKPBSA-N 427.574 2.498 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C(C)C 1689831892 SXWBGQWMWFDPJK-VFNWGFHPSA-N 432.594 2.412 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1689941627 SIXJKJOYWABXOH-JPYJTQIMSA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1689980589 UWIHFSHPFZLNJZ-LJQANCHMSA-N 429.546 2.035 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1690030380 SZPSNHQXWWEMFC-UHFFFAOYSA-N 442.564 2.280 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@@H]1OC 1690090007 SOMJMLXMWNWCRY-HOJAQTOUSA-N 441.507 2.060 30 10 IEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1690507800 WYARQHJMYAJEHU-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1690622533 RLCULXSWXLQOGG-SFHVURJKSA-N 434.562 2.184 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(OCC(N)=O)CC1 1690643845 YMICXICHJWJQJW-UHFFFAOYSA-N 448.568 2.049 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1690671583 ZCNWYRHIMPVXCN-GOSISDBHSA-N 440.548 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690719260 JDBKSYDERKZPMJ-ZBFHGGJFSA-N 438.525 2.357 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(c2cnn(C)c2)CC1 1690722871 YTAVVXHHHIBABL-UHFFFAOYSA-N 443.577 2.002 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1690786574 OHGYQNBTSGGALB-NRFANRHFSA-N 433.560 2.383 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1691003434 GYQZTAMDELGPLW-PXNSSMCTSA-N 440.548 2.497 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cs1 1693355111 NMUFJEIIXPGXEW-DNVCBOLYSA-N 434.591 2.199 30 10 IEEE CN(Cc1ccco1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1696705299 ALENPSHMOAYVMW-QTIQAUKSSA-N 426.477 2.276 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)C(=O)NCC2 1698137568 GXJCGODQXQOKIN-MRXNPFEDSA-N 438.532 2.076 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1705531847 YHBBUWMJYDWPLS-UHFFFAOYSA-N 435.532 2.222 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705561853 VADVBVYHULXNAM-CQSZACIVSA-N 428.436 2.002 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1705570267 NLNFPRQZWBEKOO-IBGZPJMESA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCNC(=O)c1cc[nH]n1 1705587484 XHVQLXNNWBXDMG-UHFFFAOYSA-N 433.541 2.105 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(C)CCCO2)CC1 1705632051 GTLODTUZVHOBQQ-XMMPIXPASA-N 436.560 2.472 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705736550 WGPVTIGHMZMUTN-WIYYLYMNSA-N 430.597 2.127 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1705739504 IOTBTZFEWMEFPI-IBGZPJMESA-N 438.532 2.284 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705900831 RAZISJPSOHGMGK-QGZVFWFLSA-N 439.564 2.082 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)N(CC)CC)CC2)cc1 1705909842 JKNNROGHTNMTAQ-UHFFFAOYSA-N 426.565 2.190 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)C1 1705914616 COPMYWBUTFZJSV-DLBZAZTESA-N 448.593 2.042 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)C1 1705916664 QPTCYHKDQIFQAQ-HOCLYGCPSA-N 425.580 2.088 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705940272 ZTIQSYQDFCRYCQ-IAGOWNOFSA-N 444.561 2.229 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1708531296 BHRIJMFYIUFMQT-RBBKRZOGSA-N 442.656 2.386 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1710910913 LYXNEBFVCWBZOO-WJOKGBTCSA-N 439.545 2.208 30 10 IEEE COC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1711487439 CAIIUQLXFGCBRB-SFHVURJKSA-N 442.568 2.185 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCn2cccn2)c1 1722310140 TUNLVJVMWBAXKJ-LJQANCHMSA-N 433.516 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@](C)(O)CC)CC1 1722444245 VLQJWEHJIVDQRC-HSZRJFAPSA-N 425.533 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccs2)CC1 1722452826 LGXMIJURJWNSMW-HKUYNNGSSA-N 443.573 2.078 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722532270 HGKKPHDPTKHFHB-MRXNPFEDSA-N 429.525 2.071 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)C1)c1ccccc1 1722594252 IBKCRFYLVFETTO-SFHVURJKSA-N 431.500 2.222 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1722868923 MMJZNSDVKINXQF-IKGGRYGDSA-N 426.512 2.124 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1723771829 IEHIHBLAKXSZAE-OAHLLOKOSA-N 430.534 2.226 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1726680502 QVISGFKDWNOAGB-PLGXQAJASA-N 439.545 2.197 30 10 IEEE CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1727269168 DPIWHLJWEQEUNQ-HXUWFJFHSA-N 432.532 2.282 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1728800923 BJEVYQIVBVECJB-XZOQPEGZSA-N 438.532 2.207 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccncc2Cl)cc1 1731183373 PLOXNEHIXLVGPM-MRXNPFEDSA-N 437.891 2.137 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1740550074 HPCVJHLSQVUCDC-CMKODMSKSA-N 445.589 2.263 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1740616066 RMWDJWYUYZAIJT-AYMMHLMVSA-N 434.606 2.144 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740621522 MSYSPUODGTURJU-LJQANCHMSA-N 439.516 2.349 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1740653908 BEKWEHLKJWHQGI-UHFFFAOYSA-N 435.919 2.196 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(COCCOC)cc2)CC1 1740695050 BNYVQJNXBCVLSE-UHFFFAOYSA-N 446.555 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCC#C)CC1 1740703896 GQZKUTDDOJTYFD-UHFFFAOYSA-N 432.553 2.149 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740721401 HUEKDOXFBFVYSK-GOSISDBHSA-N 440.573 2.054 30 10 IEEE C=CCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740881445 HFJGJUQPVSJAIS-JTAQYXEDSA-N 433.597 2.442 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740922034 QZYZVXVNBFRJLJ-IBGZPJMESA-N 433.559 2.077 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740956863 SVODKWWNMUUCPQ-INIZCTEOSA-N 445.955 2.181 30 10 IEEE C[C@@H]1CCCCN1CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1743060197 AUOSPHKOYBQMRQ-XMSQKQJNSA-N 431.560 2.497 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1745888154 BMGFBQOXNRODFE-WOJBJXKFSA-N 438.532 2.448 30 10 IEEE CCN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H](C)C1CCC1 1745977133 ZTUGEIIWXPNEMN-JUQVVLDHSA-N 428.537 2.323 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1CC 1748650074 XGBLRHHATXDTTH-AWEZNQCLSA-N 425.493 2.089 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2c(CC)nn(C)c2OC)CC1 1748993239 RWHCEZOCLNOAOQ-UHFFFAOYSA-N 447.587 2.285 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)C(=O)NC)CC1 1748999352 RFGRRILHJGKIQP-UHFFFAOYSA-N 438.576 2.001 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1749736029 YKMBWCGFAWLJAD-FGTMMUONSA-N 438.594 2.167 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1750216310 PEBQXOJSPNDAOA-HKUYNNGSSA-N 444.561 2.047 30 10 IEEE Cc1ccc(OC(F)F)c(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1751549671 AYIDJTYGWMFXPB-INIZCTEOSA-N 446.458 2.087 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)n1 1751634557 IEFZFGVJUIQEGN-GOSISDBHSA-N 445.527 2.342 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760133410 CURVAHXPLHUENG-QGZVFWFLSA-N 446.437 2.492 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OCCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760180581 HQUPVUDMJPDZLN-LJQANCHMSA-N 446.573 2.449 30 10 IEEE C#CCN(c1nnc(C)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1760180660 IXRJBNFGGKXKSD-AWEZNQCLSA-N 426.901 2.085 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1760185556 ZDNQCDZRNDITIG-KRWDZBQOSA-N 431.562 2.172 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1760250406 ZDFXWJQGCQATHJ-HXUWFJFHSA-N 425.533 2.008 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760411641 PFVIOXHWDYSMNK-GBESFXJTSA-N 430.597 2.379 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760521443 SMMOKAQEZIZIEK-HNNXBMFYSA-N 431.562 2.449 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1760777920 DFJZYAGOXMYSLY-IAGOWNOFSA-N 443.552 2.369 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1761360581 PDHYVSPDBJAUEN-INIZCTEOSA-N 444.561 2.236 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CCCO1 1761569166 FMWXSSDZUZUZOX-NRFANRHFSA-N 429.546 2.399 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)N1CCOCC1 1763101118 DGQWPVIPXACPEL-UHFFFAOYSA-N 441.555 2.289 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C#N)o1 1766925176 WNQRPDCUXCXYCT-UHFFFAOYSA-N 443.529 2.261 30 10 IEEE CCOCc1nnc(N2CCC(C#N)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1767807840 GVPJQNOSXGHVBT-MRXNPFEDSA-N 430.475 2.208 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCOC1 1768576392 HTVODIMBAXULLL-GCJKJVERSA-N 442.589 2.391 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1769275724 KKFQMJBGCCRSGF-LJQANCHMSA-N 439.495 2.420 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1770339519 IUUWKIIWJVWKQM-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)C1CC1 1771355979 XTTVVTIXTOUSSQ-IBGZPJMESA-N 427.530 2.175 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1771442772 VFHRHYCPGIOTNH-MXLIYFDZSA-N 439.545 2.198 30 10 IEEE C=CCNC(=S)NCCOC(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1853098423 ZYVDFBNVHBEDNB-INIZCTEOSA-N 442.589 2.018 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854523845 ADDGMFAYIPCCIC-UHFFFAOYSA-N 429.473 2.078 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)c3cc(Cl)ccn3)C2=O)C1 1854880502 BGYYLTSTVPAAMR-GOSISDBHSA-N 425.876 2.286 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CC2(COC2)C1 1857003482 ZFWRVINYPZHIKM-QGZVFWFLSA-N 430.526 2.258 30 10 IEEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 1857222933 YDMJNVSNLFCCCC-MRXNPFEDSA-N 437.949 2.114 30 10 IEEE CCOC(=O)c1sc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(C#N)c1C 1866239364 LPUUBWFINYRKPI-LBPRGKRZSA-N 438.506 2.202 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)N3CCn4c(C#N)ccc4[C@H]3C)CC2=O)cc1OC 1866320181 WYWJTIZPSGQYTJ-SJLPKXTDSA-N 436.512 2.371 30 10 IEEE CC[C@@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868795545 LZXKFTFNCCPNSA-PGRDOPGGSA-N 432.590 2.293 30 10 IEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c(C)c1 1870151119 MUGRQNAAMRSLDP-MRXNPFEDSA-N 444.451 2.446 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871641726 ICERGAOZPBYONO-INIZCTEOSA-N 425.493 2.445 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCOC)ncnc21 1873603500 DGGHFDAUAQWERJ-UHFFFAOYSA-N 434.456 2.154 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)Cc1ccc(Br)cc1C#N)C(=O)O 1882811142 URYIAYLXHAPDDM-ZDUSSCGKSA-N 447.307 2.213 30 10 IEEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 1890701720 ACDQFZIJGIOFSD-HNNXBMFYSA-N 444.475 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2224134954 AAJHHBHTGVMRIO-UAGQMJEPSA-N 433.358 2.457 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387559 WLPXXUWHBFQULK-VXGBXAGGSA-N 425.360 2.474 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255639857 QWQVHYNXDAERGM-VIKVFOODSA-N 449.382 2.380 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256927169 DYCVDHPMPWLTON-INIZCTEOSA-N 429.278 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142884 ADMPFWOUIOKCCA-HOTGVXAUSA-N 446.357 2.323 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2267179913 AHWIVJZFRQGUOM-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2267518021 BVPLUNDDZNYMPW-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267519620 JLNPZKKCCVLGFW-CABCVRRESA-N 446.357 2.038 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268654994 GSYWXNIXONRERI-RHSMWYFYSA-N 446.353 2.149 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1cnn(Cc2ccccc2)c1 2282603747 KYJRZSPBDBDXOR-UHFFFAOYSA-N 449.364 2.420 30 10 IEEE Cn1cc([C@@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)c(I)n1 2296291661 QYYWVXQKBHXGBM-QWHCGFSZSA-N 446.086 2.200 30 10 IEEE COCCO[C@H]1C(=O)N(C2CCN(C(=O)c3cccc(C#N)c3)CC2)[C@@H]1c1ccncc1 2297646919 YCPBFQFRAMDLMK-FGZHOGPDSA-N 434.496 2.173 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2315683687 IVAQGDWCHUOBLK-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C(=O)OCC)cn4)CC3)cc2C1=O 30434853 RQPJPXDTERCIQQ-UHFFFAOYSA-N 448.479 2.003 30 10 IEEE CCC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 40376882 YRUYJOBRNGOCEI-VIFPVBQESA-N 429.134 2.405 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 431765721 NJMBFKMVVJEGBO-CQSZACIVSA-N 432.912 2.080 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 466107171 LSTBZTKUXLHNTP-JOCHJYFZSA-N 433.512 2.070 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 481515354 FEXXMXHJSYLBLI-KSSFIOAISA-N 427.482 2.317 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 492652968 DSWTXBHCWWNKHV-CAZKKTPXSA-N 431.625 2.324 30 10 IEEE Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)CC#N)CC3)c12 503625490 GNTQCHNUGJVHHB-UHFFFAOYSA-N 429.484 2.199 30 10 IEEE CO[C@@H](C)c1noc(CN2CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 507316625 UUAKLCVZHIISRA-YCRPNKLZSA-N 435.525 2.073 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 508486237 BIPAHAGHESIBGD-FXAWDEMLSA-N 445.589 2.082 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 509016023 XTLUIOGGOZGBEI-QGZVFWFLSA-N 437.591 2.243 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 525186395 AEOPKEFHNHXCQV-UHFFFAOYSA-N 440.997 2.460 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(C#N)cc3F)C2=O)c(OC)c1 588224548 KJKLQVPTFNOSMU-LJQANCHMSA-N 426.448 2.315 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCCN1CCOC 609045657 LOOGZLIZPGKRMF-OAHLLOKOSA-N 440.338 2.325 30 10 IEEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730143133 RCGSNFRUSWXHMZ-MRXNPFEDSA-N 426.970 2.376 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O 730143202 RYEGICSLTBNOGH-MRXNPFEDSA-N 435.550 2.482 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cccc(OCC(N)=O)c3)c2)s1 740507008 GYMYRGRJSJCTKP-UHFFFAOYSA-N 434.477 2.406 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)ncn2)cc1 756867846 LNJDJBBENYHNSU-LJQANCHMSA-N 440.573 2.293 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C)n1 757599114 XETDHZYCNMMDSM-RDJZCZTQSA-N 425.493 2.076 30 10 IEEE COc1ccc2c(c1)C=C(S(=O)(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CC2 758478462 FHGQZCYAJLFCQJ-OAHLLOKOSA-N 425.514 2.184 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CC[C@](O)(C(F)(F)F)C3)nc12 762185551 SXBGXEGLZVRNCG-QGZVFWFLSA-N 425.436 2.323 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 763937612 MMUXGUIYQSKFMB-FKQBYMHLSA-N 447.561 2.022 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 802569699 ZJDFFXCYAWDOSC-IBGZPJMESA-N 438.532 2.482 30 10 IEEE CC[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F)OC 809941869 LHQFYPFXBDGHAB-PBHICJAKSA-N 442.532 2.389 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2)n1 856587466 ONUPUNDBFCVVSK-QGZVFWFLSA-N 444.435 2.281 30 10 IEEE Cc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 916178032 HYLYZNUUMGBTMH-UHFFFAOYSA-N 427.511 2.186 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)[C@@H]2COc3ccccc3C2)c(=O)n(-c2ccccc2)n1C 916960386 CGZOTKJNOYLWOZ-PKOBYXMFSA-N 430.464 2.383 30 10 IEEE CC(=O)N1CCN(C(=O)[C@@H](OC(=O)c2c(C)oc(-n3cccc3)c2C#N)C(C)C)CC1 925932392 KRNMIDIPFQBDDV-IBGZPJMESA-N 426.473 2.123 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CCC(N3CCOCC3)CC2)cc1 1136287665 NQDRMVVCLJQPPF-DARPEHSRSA-N 448.589 2.329 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 1136998321 KFDCSIYBQOFYDI-KGLIPLIRSA-N 425.917 2.068 30 10 IEEE CC[C@H](CO)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1137644302 OHYNPJUVJYPZFR-TZIWHRDSSA-N 442.560 2.308 30 10 IEEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1193305065 CTYDHJWPFKPWSO-UHFFFAOYSA-N 442.541 2.150 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1215509865 BIPHNJXAFOTLSA-UHFFFAOYSA-N 446.504 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@H](O)C1 1286434375 YFXLGELSGQRBRY-ZWKOTPCHSA-N 425.558 2.284 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286483784 YTMYKKORLMBFIC-IBGZPJMESA-N 431.487 2.079 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286506803 NUYNNPDQUAUQTK-MRXNPFEDSA-N 425.624 2.068 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(CC)CCS(C)(=O)=O 1286567745 WGHGBGGFYIBTEJ-UYAOXDASSA-N 433.578 2.116 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C)C1CC1 1286739223 UEKJEPPUGLDWAU-GASCZTMLSA-N 428.541 2.380 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOCC3)cc2)C1 1286812581 MUJPAWUVFSSFDL-OAQYLSRUSA-N 427.549 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C)C1 1286822481 LFUUYHWRJBHSLW-INIZCTEOSA-N 446.602 2.059 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H](C(C)C)N2CCOCC2)n1 1290617263 HXMJAGNBTMRCBI-OAQYLSRUSA-N 440.596 2.237 30 10 IEEE N#C[C@@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)c1ccc(Br)cc1 1290673888 AEYIYHBFLHHTLK-IAGOWNOFSA-N 432.274 2.417 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)OC 1291424677 AQBZFCIHOZHMEL-NMLACTOBSA-N 427.505 2.351 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCC1 1298691478 SIWDSHQDQFWUNC-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)C2)C1 1298716022 BNEXBIWCIXXRLY-GRJHGRLYSA-N 430.549 2.244 30 10 IEEE N#Cc1ccccc1COc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c1 1299141103 CJYGALORDCAJFF-LEWJYISDSA-N 426.494 2.165 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCNS(=O)(=O)CC 1300441484 PRLBEBGFKRUIJE-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1300529622 NMCFVMUKASJVPC-FQEVSTJZSA-N 428.418 2.202 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1300556237 FVNCAWFVLIHBAP-MZKRTTBSSA-N 430.549 2.193 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300753892 CYQXUMJVKRHDJC-SFHVURJKSA-N 441.605 2.232 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1300823759 JHOLFDLERKTOJC-AWEZNQCLSA-N 435.388 2.340 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1300870258 RQOJOQHNAOKVCP-PKOBYXMFSA-N 432.546 2.170 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1300997068 OMTFLFFTKKKUDE-KRWDZBQOSA-N 448.568 2.097 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCN(C)C(C)(C)C2)CC1 1301059217 SWOKYXLMBGSHFW-UHFFFAOYSA-N 431.629 2.379 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)OC)C1 1301544218 UNAPIWPEWNCEFN-NVXWUHKLSA-N 448.593 2.363 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOCC2(C)C)C1 1301565753 GEKVDBCSUZUNRF-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301578327 XKINZGVRXTVDJC-LPHOPBHVSA-N 429.546 2.279 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1301999248 DXEHKFMSSYDHFH-AZUAARDMSA-N 434.585 2.099 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1(C)C 1315732540 CAIKKZMNHLONSS-PMACEKPBSA-N 441.532 2.395 30 10 IEEE COC[C@@H](F)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1315819700 SIZYFQNTUFIRHI-INIZCTEOSA-N 426.452 2.498 30 10 IEEE COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1316109430 DEQUDTBMVSELAU-WOJBJXKFSA-N 443.573 2.157 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1316274176 NWVDZHWQVLARSR-LLPLAXKASA-N 441.532 2.050 30 10 IEEE N#C[C@@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)(F)F)CCO1 1316535645 WUGNZHUKSVVOEL-MRXNPFEDSA-N 448.449 2.155 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2coc(C#N)c2)c1 1349166208 RIHWTTYLUONHTQ-UHFFFAOYSA-N 432.502 2.271 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1358890150 LSOBNNKBIQALQY-KBPBESRZSA-N 431.543 2.403 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1358955042 CRRNPVVXVPYYEH-CABCVRRESA-N 428.649 2.051 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358960093 WYMUULIBXKRCLR-MRXNPFEDSA-N 446.483 2.212 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1358962550 RVNNSCSFHLIRMU-NRFANRHFSA-N 441.601 2.481 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@@H]2C)CC1 1359048480 RVVFJYADAAJTAR-NRDMVMEKSA-N 443.592 2.404 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@H]1CC 1359091017 IMEODUMCSKMYRC-AVEIZBFRSA-N 425.599 2.494 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@H]1C1CC1 1359107100 CLODWZHRAWFFFX-RIFZZMRRSA-N 425.599 2.496 30 10 IEEE C=CCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290451 BKVLDOUATSXWOF-FQEVSTJZSA-N 433.582 2.245 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2oncc2C1 1359296272 CXGJJNMHADSZQR-UHFFFAOYSA-N 438.488 2.205 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1359466462 BRQZUGOQKFBCHP-ILHIWHGASA-N 448.980 2.368 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1360470044 KYJPXINEHARSSW-LBPRGKRZSA-N 444.341 2.370 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOC1CCCC1 1360676434 QEMBEWALIFJAGZ-MRXNPFEDSA-N 438.598 2.368 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1436252066 KLFVALXCIRDHDO-UPJWGTAASA-N 449.392 2.371 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1 1438348170 ZHCRWBSOCSHOGH-UHFFFAOYSA-N 438.553 2.380 30 10 IEEE CN(C)CCNC(=O)c1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)cc1 1443725082 AJROCGGNBUBLNJ-UHFFFAOYSA-N 443.345 2.471 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1455397376 CBLYKJMYENKLMS-CHWWFWEZSA-N 427.567 2.055 30 10 IEEE Cc1cc(CN(CC(=O)NCc2cccc(C#N)c2)C2CC2)cc(S(N)(=O)=O)c1C 1460335349 GQHQJWQIOIKSPU-UHFFFAOYSA-N 426.542 2.103 30 10 IEEE C=CC[C@H]1CCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1468943559 CUVJPGFNNQBORZ-INIZCTEOSA-N 437.562 2.465 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)c1 1469488760 UTUSYZKLLQYLRA-OAQYLSRUSA-N 444.553 2.411 30 10 IEEE C#C[C@H](CO)NC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1476079841 QTSLNFIVFMERKI-AEFFLSMTSA-N 431.489 2.359 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CC[S@](=O)C(C)(C)C 1494135194 BZQXVBXVIKEXHT-QLCIJSRNSA-N 442.593 2.079 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1494992788 BZOWLPUQSOFGOW-XLIONFOSSA-N 447.547 2.389 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CN(CC(C)C)CCO1 1507537701 NKYNPYFDOOIVSH-PZJWPPBQSA-N 435.576 2.331 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1507538350 LPIVLZIPCNGUTN-DLBZAZTESA-N 433.553 2.350 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1507564716 VTCLGKHVABTEKR-RTBURBONSA-N 435.594 2.183 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507629871 XHRUKVSRMTZFHM-NVXWUHKLSA-N 449.964 2.047 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631183 BTTNYKIABJRVJZ-QZTJIDSGSA-N 446.598 2.201 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1507773520 RYRMGSIJOQIYSH-WTOYTKOKSA-N 428.558 2.080 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)C1 1508118829 XLGIONOPFAKEAY-KRWDZBQOSA-N 439.969 2.271 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CC)C1 1508122491 JFFYUHMINFAPLG-WMZHIEFXSA-N 441.580 2.394 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1510283054 AZYDLGBATVFIOC-WZONZLPQSA-N 435.532 2.066 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)O1 1513535671 ODUIIPHQCVOYMT-LNKGRISISA-N 438.598 2.366 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C#N)CC2)C1=O 1517402999 WQEGYGIWIAZKMR-GOSISDBHSA-N 432.326 2.254 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1518657868 CZWNZSAORDSPOV-UHFFFAOYSA-N 438.463 2.329 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)COc2cccc(Br)c2C#N)O1 1524585505 AHQZBSNYKXLKHU-ISGYEWALSA-N 437.290 2.410 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc3ccccc3)C1)CC(=O)N2 1528041770 BLXVQAVVYLIATL-GOSISDBHSA-N 438.509 2.085 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 1536694273 CCRDYMRAMKCURH-KRWDZBQOSA-N 434.499 2.388 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4oc(O)nc4c3)CC2)cc1 1537261732 HAIAOCICRREUHO-UHFFFAOYSA-N 440.481 2.122 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1538583121 NFRPPAKYFVZFJT-UHFFFAOYSA-N 436.530 2.204 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539212472 PAZURTCQTTUMEP-OAQYLSRUSA-N 441.601 2.230 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1539216050 MZKIMYNCEHVLJD-SKINQDTJSA-N 443.573 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCOCC1 1539328209 NJVZSWVEQFZFQG-UHFFFAOYSA-N 427.499 2.332 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)N1CCOCC1 1539362277 VSSWPMKZXNHUDW-UHFFFAOYSA-N 434.500 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2csc(C)n2)CC1 1539475787 OELLSVNMFNTELX-UHFFFAOYSA-N 437.573 2.257 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539917863 XUIOXGPFCFFIJY-SFHVURJKSA-N 430.597 2.175 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1)C1CC1 1540109504 QXIKEHQVZVWKIF-MRXNPFEDSA-N 432.546 2.423 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540199106 WAWVVHXYNKTTSW-SJORKVTESA-N 447.502 2.074 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(Cl)ccn1 1540908022 OKFMNUTZTPOOIW-MRXNPFEDSA-N 425.942 2.415 30 10 IEEE CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1541596883 QVOKIZGIXBQRGN-QGZVFWFLSA-N 426.521 2.378 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1541885584 AMSFXFSFXPNYMT-QVKFZJNVSA-N 449.531 2.003 30 10 IEEE N#Cc1ccc(OCC(=O)NCCN2C(=O)COc3ccccc32)cc1Br 1542541578 GPVWBZYOTUWFCN-UHFFFAOYSA-N 430.258 2.241 30 10 IEEE COC(=O)C1CCN(CCCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1542948744 DJQUBDRSBZFGOV-UHFFFAOYSA-N 438.322 2.091 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1547259258 FHVNUXOYSOISDA-QUCCMNQESA-N 438.532 2.260 30 10 IEEE COCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1555499611 XDZDAFJAECCTCR-HSZRJFAPSA-N 441.555 2.121 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C1 1555986599 OJFFFMSMFVDFQF-NRFANRHFSA-N 442.426 2.348 30 10 IEEE C=CCC[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 1556642485 NMLOCOPXNJJSAZ-AWEZNQCLSA-N 447.351 2.327 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)OC)[C@H](c4ccc(O)cc4)C3)cc2C1=O 1556733527 IBQFUSORDYQFMC-VQTJNVASSA-N 434.448 2.203 30 10 IEEE COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561281765 CLOMCNLFUXDUNC-SNVBAGLBSA-N 437.312 2.129 30 10 IEEE COc1cc2nc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c(=O)n(C)c2cc1OC 1567193776 BCJUHJJHAUQLKW-HXUWFJFHSA-N 434.452 2.036 30 10 IEEE Cc1c(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc(Br)c1C#N 1585591447 VTXLCFFTCWBGGW-LKGZJPOGSA-N 432.274 2.119 30 10 IEEE C#CCN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@@H]1CCOc2ccc(Br)cc21 1586216421 GZXQICHVUAFTFF-BRWVUGGUSA-N 431.290 2.336 30 10 IEEE C[C@@H](CC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)NS(=O)(=O)c1cccnc1Cl 1587187448 WDEFJUKXNNXKPR-YWZLYKJASA-N 447.948 2.271 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1588039759 DVYMECOSNQFMRF-KRWDZBQOSA-N 426.498 2.227 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1593887164 XFGAKUHQXZKONN-SJORKVTESA-N 436.988 2.104 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595649849 VVGUGHUUJNTEBE-HXUWFJFHSA-N 435.532 2.397 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1595816909 HRYCAZTVWPOKJS-ZBFHGGJFSA-N 443.363 2.004 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)CC[C@H](C)c3ccccc32)c1 1607585763 PKCTZPAMZBWPIO-HJPURHCSSA-N 440.521 2.294 30 10 IEEE C[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612766166 AUGBHRROAMJWAM-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 1616734103 BKGVMGVVFAFMGA-UHFFFAOYSA-N 430.320 2.270 30 10 IEEE Cc1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1S(=O)(=O)N1CCCCC1 1617125680 MKTFEGHGNCXAHK-UHFFFAOYSA-N 429.502 2.020 30 10 IEEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1618070988 IFQRFPHUPQOUCO-SPYBWZPUSA-N 447.557 2.427 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1619251036 RDRNMPGXDCQNCH-MSOLQXFVSA-N 427.505 2.161 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1620044715 FQAAKHVRUQUXFV-FZYZMVIOSA-N 443.573 2.360 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1620463796 UXLZXBLQCPAGJY-WMZHIEFXSA-N 429.517 2.113 30 10 IEEE COc1ccccc1C[C@](C)(CO)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1623739978 CPZFZHBVBLBNPP-YCRPNKLZSA-N 431.514 2.496 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1624033902 ZVPPWUHSYHTAMQ-KFWWJZLASA-N 431.455 2.162 30 10 IEEE C=CCN(C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)[C@@H](C)COC 1629221191 DWAKOIFDUXHOEI-VIFPVBQESA-N 425.732 2.413 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc(CC(=O)NCCO)cc2)CCCN1C(=O)OC(C)(C)C 1636128679 ZFDAHBAFVSNVLC-HSZRJFAPSA-N 429.517 2.069 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 1636452678 GNAZVIHUOAKQKU-JOCHJYFZSA-N 433.553 2.224 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1)C1CCOCC1 1637128175 MGVLUPKCCIERLA-FPOVZHCZSA-N 427.545 2.353 30 10 IEEE Cc1cc(C(=O)NCC#C[C@@H]2CCCCO2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1637185383 BJVZIKOLDQTPGW-IBGZPJMESA-N 429.542 2.103 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OC)cc1 1643004393 KNSCMHMFMYBQLK-LJQANCHMSA-N 429.517 2.481 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 1643372191 AELVERSXJQTTQC-UHFFFAOYSA-N 442.585 2.443 30 10 IEEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1646096894 ZSTDCWFWHJYJJO-OAHLLOKOSA-N 431.493 2.059 30 10 IEEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCc3c(sc(N)c3C#N)C2)c(C)c1 1646250248 CGUMDWXYCNINGY-UHFFFAOYSA-N 432.571 2.381 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CO[C@H]1c1ccccc1 1646304000 IKJGXAOXTKBYDJ-GGPKGHCWSA-N 427.526 2.396 30 10 IEEE Cc1ccc(C(=O)N2CCN([C@H](C)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 1648373525 QEMLJVFITLXXHZ-GOSISDBHSA-N 426.542 2.316 30 10 IEEE Cc1cc(C#N)cc(C)c1CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1653664610 KOFSPFYGPPHPRG-UHFFFAOYSA-N 440.525 2.013 30 10 IEEE Cc1nc(=NC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)n(-c2ccc(C#N)cc2)[nH]1 1654343708 DAOBTNPVVSOZTK-MRXNPFEDSA-N 433.491 2.158 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1673802880 YRMOXPUUTBMXEZ-BBWFWOEESA-N 437.537 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCc3ccc(C#N)c(F)c3)nn2)C1 1682021067 YFQPOZJDWRMZMO-UHFFFAOYSA-N 429.456 2.080 30 10 IEEE Cn1cc([C@@H]2CSCCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1682226062 BINGSSNVMWCRLY-UXHICEINSA-N 438.557 2.282 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1689837725 LXALXJOEWFJQNA-CYBMUJFWSA-N 440.367 2.105 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccon1 1689916839 YSLCWEQSXGUJIV-UHFFFAOYSA-N 428.518 2.233 30 10 IEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1689935934 YEFNYMSAINRJMF-NRFANRHFSA-N 437.544 2.141 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(OC)CCOC1 1689964860 ZLWZSDGMNGUHHT-QFIPXVFZSA-N 433.553 2.268 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689987658 ADFKUUJYZQUODP-LJQANCHMSA-N 430.578 2.276 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2sccc2C)CC1 1690113984 ZNOPERODZJMXAP-JOCHJYFZSA-N 429.590 2.298 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1690170531 MEPDFNMTZPVKQN-PGRDOPGGSA-N 425.558 2.002 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1690663133 MUBIZOHVVWSGCE-QGZVFWFLSA-N 440.529 2.290 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1690676301 VWHYJYHZWLENTL-HSZRJFAPSA-N 438.532 2.426 30 10 IEEE Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1693461619 WJABUZCTSUAKET-DQRAZIAOSA-N 435.532 2.350 30 10 IEEE C[C@@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1693692976 OOCBWROTQDKWMO-KTVWJZFRSA-N 436.516 2.415 30 10 IEEE CCc1nnc(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)s1 1694621483 BJYOEHJURPYKFG-MRXNPFEDSA-N 425.518 2.357 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CC=CCC1 1696849710 KQRIZMITUCQPAE-INIZCTEOSA-N 446.353 2.037 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOc2ccccc21 1698169453 HHFKKEAVDBCQGM-KZNAEPCWSA-N 427.505 2.297 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705569184 DJRUNHGQGGEUNH-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1705684122 HXHWGEABSAOEKR-UHFFFAOYSA-N 431.338 2.494 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705735101 JHHULEFHTVWEPG-PKOBYXMFSA-N 445.568 2.339 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CC(N)=O)C1 1705827718 OJZGRUABVPZLEU-MRXNPFEDSA-N 427.505 2.358 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCCn1ccnn1 1705864244 VKXOSGGGQKXRTJ-UHFFFAOYSA-N 426.550 2.450 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CC)C2)C1 1705917177 RAZROMYRBPEWOO-TXTKFYIRSA-N 433.597 2.442 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1705919017 VRABJBOPJPVQJX-HKUYNNGSSA-N 448.518 2.477 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1710745083 SGXLJZNZNJAOOD-BRWVUGGUSA-N 434.541 2.189 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722461200 PPAVZDLXRBRTCF-IBGZPJMESA-N 426.590 2.371 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)CC1)C(C)C 1722664521 BOTNZQHIWFAFDA-WOJBJXKFSA-N 430.597 2.197 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722691669 YHDSEBMVGSSYCL-HSZRJFAPSA-N 441.532 2.173 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCOCC1 1723777174 AOYQQCYEYSXHDD-INIZCTEOSA-N 445.593 2.119 30 10 IEEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)OC 1727152565 GQHYDBIBYGCOKY-KDURUIRLSA-N 427.505 2.495 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1729764725 FRTCOUOQTXYGKG-ZQHDKMAOSA-N 427.530 2.117 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1730690598 DHHDXSJDSLXSNK-INIZCTEOSA-N 436.919 2.435 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1740719358 CVWGXTWNTMFCLK-LJQANCHMSA-N 430.622 2.079 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1740735071 IZQBOVFWPLGFHZ-CBGDNZLLSA-N 437.610 2.080 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740746573 MEFCQCOJGPHJQB-GXTWGEPZSA-N 437.367 2.257 30 10 IEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740796054 MEDNSVWSZSOZND-IBGZPJMESA-N 443.573 2.497 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1740899784 IXCTZIKZOZBRIA-AZUAARDMSA-N 445.589 2.353 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCNC(=O)OC(C)(C)C 1741126516 XXYMGIBEMCNBTP-MRXNPFEDSA-N 433.557 2.415 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC(C)C)cc1Br 1742204868 WGYVNLHWSYCEGL-OAHLLOKOSA-N 447.337 2.269 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(-n3cncn3)c2)CCOC1 1746649518 HIDSLBPZJQCOED-VGSWGCGISA-N 436.520 2.155 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1748716277 XHQNOEBEYRTDFC-MOPGFXCFSA-N 435.594 2.328 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCS(=O)(=O)N(C)C 1748800497 XELVOYPXWPQNMU-UHFFFAOYSA-N 433.578 2.250 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1748945269 ORQNILULEVQXNF-QGZVFWFLSA-N 439.520 2.411 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2)CC1 1748994645 LRHGUEHJDJMSHN-QGZVFWFLSA-N 444.630 2.311 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN2CCCCC2)CC1 1748995005 VUXZPGWQSCLWIE-HXUWFJFHSA-N 438.624 2.017 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1749488965 PQDSOAOUZLKILX-HKUYNNGSSA-N 433.578 2.345 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)nc1 1749600577 DYRUMJFMLRRXRL-LJQANCHMSA-N 428.537 2.048 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1749671908 NKIJCCYCYIVAHN-UHFFFAOYSA-N 442.539 2.317 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749681094 WVHSOEQBPOGMLA-AYOQOUSVSA-N 429.496 2.160 30 10 IEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1750212435 ILLGBPHXXBLDNI-BPQIPLTHSA-N 432.525 2.113 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760144653 XVSUDZDEGSPTMO-IBGZPJMESA-N 447.547 2.464 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760191019 ZJFHQMJUMZOIAM-LJQANCHMSA-N 447.630 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(N(C)C)CCSC1 1760212510 WMVQEWBXCITKNO-DHIUTWEWSA-N 445.633 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCNC(=O)c1ccccc1F 1760220912 FAUVZFPUUSCLSJ-UHFFFAOYSA-N 430.487 2.296 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1C 1760232176 VSHICGRIXAKRSD-IRXDYDNUSA-N 430.578 2.370 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1760235551 QECQSCOTQOLHJY-NQIIRXRSSA-N 425.533 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCCCC2)C1 1760534566 BJCUIRORXASRHB-IAGOWNOFSA-N 441.598 2.019 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760552575 SPWICKXRCPLWNB-UHFFFAOYSA-N 442.545 2.257 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@H]1C 1761880824 KCGNARGMQBMIJR-RTBURBONSA-N 438.580 2.106 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1762722169 FJWUUSKXRICYDN-WSTZPKSXSA-N 426.569 2.165 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1(C)C 1766144359 BRNXDWYVDXBPOM-RBUKOAKNSA-N 440.548 2.457 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1766959338 JJGLIUQVBBRHPR-ZWKOTPCHSA-N 429.546 2.255 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1769974102 SIYVGWDYXYANBM-GEYWLOKFSA-N 445.520 2.288 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1OC 1770044280 VGFBAHZVJPVLJD-HTAPYJJXSA-N 442.495 2.319 30 10 IEEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772790675 GESRSVCPFPEAQG-FQEVSTJZSA-N 445.790 2.001 30 10 IEEE C=CCN1C[C@H](C(=O)N(CCN2CCOCC2)c2nc3c(F)cccc3s2)CC1=O 1848975357 KSZXGGRKKPVAOQ-OAHLLOKOSA-N 432.521 2.135 30 10 IEEE C=CCC[C@@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)CC3)C1 1855313293 IGNXOGDORVBZOF-BEFAXECRSA-N 436.530 2.041 30 10 IEEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)COc2ccccc2F)C1=O 1857049402 ONGLNWSYPZHLQW-CQSZACIVSA-N 431.445 2.074 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862754986 USHIFRDOIHNRKR-ZMZPIMSZSA-N 428.397 2.268 30 10 IEEE CCOC(=O)Oc1ccc(C(=O)N[C@H](CO)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867306611 VMRYESAYLFJTKI-RBUKOAKNSA-N 425.441 2.002 30 10 IEEE C=CCOc1cn(C[C@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870385553 CLHQCEQQMVKDTQ-KRWDZBQOSA-N 428.489 2.024 30 10 IEEE C=CCOc1cn(CCNC(C)=O)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1870812019 MKMYXBJOFOOAES-UHFFFAOYSA-N 431.489 2.187 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2c(Br)cnc3nccnc23)C1 1891473895 BDUYADQHZFFTPJ-LLVKDONJSA-N 440.261 2.133 30 10 IEEE C[C@@H](C(=O)N1CCC(Oc2ncccc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892148602 KYJUICLCDCCOHO-INIZCTEOSA-N 428.514 2.178 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]12 2060637043 FZQVBITVSRZCPF-LKBUQDJMSA-N 430.314 2.018 30 10 IEEE C[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CC(NC(=O)OC(C)(C)C)C1 2068019981 BHPIENPOIXSZJE-QMCVQRASSA-N 435.374 2.134 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC#C[Si](C)(C)C 2074666211 WZGNCIBYSRRGGR-INIZCTEOSA-N 425.579 2.440 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)O1 2141676493 AGECOVBZGPGNEJ-HZPDHXFCSA-N 447.341 2.392 30 10 IEEE N#CCc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cc1 2174787937 ZIGOYBPMCXOVSI-WOJBJXKFSA-N 429.498 2.115 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2237389734 VJYAEORTUPXJGH-GJZGRUSLSA-N 439.306 2.478 30 10 IEEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2243394274 FMOQFOREKXLZEO-UHFFFAOYSA-N 426.344 2.303 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247863975 YRWABOFHYYEIBG-QGZVFWFLSA-N 432.273 2.330 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248439113 IYSCFUSTGOXBLG-LBPRGKRZSA-N 441.359 2.045 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255368373 IQRUAHLVPBRPRE-HOTGVXAUSA-N 433.358 2.411 30 10 IEEE C[C@@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255655713 PZRQMEZFPNXLPL-DGCLKSJQSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)NCCONC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2255882011 HJPLTTCKBVGSQO-UHFFFAOYSA-N 442.268 2.450 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256020330 BKMVHBBRWHLONP-ZWKOTPCHSA-N 433.358 2.154 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256626644 MMVZJXOMRWFUSV-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256676714 YZTAWRXDJQEIEE-ZDUSSCGKSA-N 438.305 2.197 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267011396 FAKAYUYXVFPFDQ-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE Cn1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267138865 YJNOZHWLNGNKEN-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267139009 ABZMBCFEEZJKKE-HIFRSBDPSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267265981 MLJMNSOVSQXSEV-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267273793 RGJLVHGPMCYXDZ-HKUYNNGSSA-N 436.365 2.274 30 10 IEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493729 MNMYMLYULRHQHX-CABCVRRESA-N 448.373 2.155 30 10 IEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2267501229 UZDWCFXMHPOBOJ-QZTJIDSGSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268637317 BOZXQLZSMDJMRC-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE C[C@@H](NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268700021 IUMZFODUMKVGCB-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE CC1(C2CCN(S(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)CC2)OCCO1 2282350699 QMCNSPHUQSQRJZ-UHFFFAOYSA-N 443.396 2.211 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 2297747799 STDJNMNWJFHIQK-FQEVSTJZSA-N 442.468 2.051 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1 2328566164 IQOBSDQYLJEFFS-UHFFFAOYSA-N 427.486 2.138 30 10 IEEE CCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCCCO)cc1OC 2330784265 CZVGWQKMDNCDGF-UHFFFAOYSA-N 435.550 2.458 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(OC)cc1OC 2331570981 VHPBPIRDJJSFRI-UHFFFAOYSA-N 445.501 2.325 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 238860077 KMNFDVOBHKBJJL-SFHVURJKSA-N 426.498 2.031 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 443483850 LZZMMEUYBXJEEI-QGZVFWFLSA-N 436.331 2.299 30 10 IEEE COC(=O)c1ccc([C@@H](NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C(F)(F)F)cc1 481440629 TYEGHAJLUPDYOQ-IEBWSBKVSA-N 440.466 2.359 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)c1 500610667 FKFKCKSUGIWJKQ-VQTJNVASSA-N 428.510 2.180 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 506914944 DGHKEQMFPJYVQD-UHFFFAOYSA-N 433.434 2.333 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)CC2)cc1 507532189 KWRAMPCCCXJSHU-UHFFFAOYSA-N 426.454 2.145 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N(C)Cc1cnccn1 508722175 CHLDUXOXMBKXIJ-UHFFFAOYSA-N 439.545 2.342 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@]2(CCOC2)C1 508861664 DKGYELXXBSJYHK-QHCPKHFHSA-N 436.516 2.247 30 10 IEEE CC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C 514251750 FUMLBBSUGDKFDL-SSTRLKMLSA-N 438.467 2.169 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H](C#N)C3CC3)cc2)cc1 518705786 ARGXYINHRBUCAA-HXUWFJFHSA-N 426.498 2.155 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c1 522647107 WMTMXVRUZOTXFB-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c(C#N)cn1CCOC 537432559 FSFYFUBXVCPOBA-UHFFFAOYSA-N 442.472 2.267 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ncn(C(C)(C)C)n3)nnc12 542457331 MEFWGDWONNZDJN-UHFFFAOYSA-N 438.517 2.308 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cn(Cc4ccccc4)nn3)C2=O)cc1 549327875 RPRWRTNNQMBSAT-GOSISDBHSA-N 429.440 2.042 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 555271517 DIGYQYZCIHAOOG-QFBILLFUSA-N 435.488 2.360 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1CCC2 586347127 JVPLKICOOFIVSH-PMERELPUSA-N 443.506 2.009 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CC1 604186106 KZFHPCMNCGJDPY-UHFFFAOYSA-N 446.555 2.214 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@@H]2c2ccco2)CC1 609739612 BTYXHLMSEMKNJS-QGZVFWFLSA-N 437.456 2.121 30 10 IEEE C#CCCNC(=O)c1cc(I)cc(I)c1O 700589583 HXELQAKAZFMZJH-UHFFFAOYSA-N 441.006 2.355 30 10 IEEE Cc1ccc2nc(COc3ccccc3C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2c1 732152865 CFAVVICFOIZLKG-GYHWCHFESA-N 445.479 2.478 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)ccc1F 752508740 ZGZJVGJBNPKKOV-CQSZACIVSA-N 426.267 2.491 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@]3(F)CCN(C(=O)OCc4ccccc4)C3)CC2)n1 760778198 RBSZCHDHMQGKET-HSZRJFAPSA-N 437.475 2.353 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2cccc(Br)c2C1)c1cc[nH]n1 772277579 PQKUYIVPHXMMSR-UHFFFAOYSA-N 435.278 2.041 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 779196689 IBCRQYZOCNDENP-QGZVFWFLSA-N 430.530 2.361 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1cccc(F)c1F)C(F)(F)F 784139743 HOGMZYMCKAMHOQ-HNNXBMFYSA-N 433.358 2.423 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)=NO1 788624310 JQKHZOWDDOIYFM-IBGZPJMESA-N 441.532 2.262 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)cc1 791188316 VIXWADJMSGYZIK-UHFFFAOYSA-N 426.372 2.281 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(N2CCCCC2)C1 794202986 LQFPUTCSKVPLKL-TVPLGVNVSA-N 432.590 2.417 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 803921043 CHGSWVYHAIUDJS-QIIPPGSGSA-N 430.436 2.033 30 10 IEEE C#CC[C@]1(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)CCCN1C(=O)OC(C)(C)C 809800936 ZBVAWZJUULXRAB-WWNFTGSLSA-N 426.557 2.405 30 10 IEEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 857838208 YURJFZZOLOOJKK-DLBZAZTESA-N 441.550 2.048 30 10 IEEE C[C@@H](CN1CCCC1=O)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 917681447 QFUQNQKJFCEYRS-SUMWQHHRSA-N 432.521 2.437 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1125858308 YEUZUQAZDXDVHB-HNNXBMFYSA-N 440.388 2.340 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1133282791 CJPUBBDUYDQLCN-LDLYASANSA-N 438.532 2.380 30 10 IEEE C=CCOC[C@@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C(=O)OC 1139176255 UGDTVGONCXYMNJ-LLVKDONJSA-N 443.685 2.157 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)c1 1157241850 BNAFOQFTGNFPSN-HNNXBMFYSA-N 437.493 2.350 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1161393780 UNLUNFLWZXGFQR-IXDOHACOSA-N 426.542 2.196 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1 1161448550 FJVMXLUOEBCGMV-KRWDZBQOSA-N 449.330 2.358 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCCc3cc(C(=O)OC)ccc32)cc1 1179128578 ZUSQUSBCJBIJGQ-UHFFFAOYSA-N 426.494 2.368 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1252969825 ADDVWDJDBDFNJU-HIFRSBDPSA-N 426.505 2.282 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)c1 1286311540 NMUVVCJCSMEFGY-BXKMTCNYSA-N 439.560 2.463 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cnn(C)c2C)c1 1286312281 WAFCVTZCSBRDHI-IBGZPJMESA-N 447.543 2.319 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCO[C@H]1C 1286457446 PGMGLBQUOFDEES-HOIFWPIMSA-N 432.496 2.183 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(=O)N(C)C)CC1 1286640607 KPAJYQRWAQOFMO-UHFFFAOYSA-N 431.562 2.373 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccccc2F)CC1 1286652436 GMDXGJGMVPETEF-UHFFFAOYSA-N 428.512 2.388 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286787244 DDKPRFAZFVSMSU-SJORKVTESA-N 448.568 2.268 30 10 IEEE CC(C)N(C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1287890559 ZWBZPYUDAXNTMS-LJQANCHMSA-N 425.537 2.299 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)cc1C 1289771971 CICIFTPGFSSXHO-QGZVFWFLSA-N 434.566 2.104 30 10 IEEE Cc1cccc(-c2nnc(N(C)OC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1289931895 RZDFFIDSLYBMAF-XUTLUUPISA-N 437.504 2.485 30 10 IEEE C=CCN(C(=O)CCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 1291936961 RDWAVPNPACPLAA-IBGZPJMESA-N 425.982 2.054 30 10 IEEE C#CCCN1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1292437637 PNTIFZPXOHRXCV-FQEVSTJZSA-N 443.544 2.181 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nncn3C(C)C)C2)s1 1293154490 UIQORCSSYSUODU-HNNXBMFYSA-N 437.591 2.334 30 10 IEEE COc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 1294722494 LVSHNADQKQSPNF-UHFFFAOYSA-N 438.440 2.380 30 10 IEEE CC(C)([C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(F)c(F)c1)N1CCCC1 1296230650 ZNSANOPOAXZARQ-IBGZPJMESA-N 445.470 2.221 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)[C@H](C)CC 1297288170 REDIXIIJIIRPBJ-GOSISDBHSA-N 426.569 2.138 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 1297769279 VWDFMHCXLSIMTL-IEBWSBKVSA-N 444.561 2.047 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1noc(C2CC2)n1 1299310874 GBHAFHXEIKRSNF-HNNXBMFYSA-N 431.518 2.059 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1300487084 FTRSPWNTTBXAMA-KRWDZBQOSA-N 433.578 2.116 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CC1 1300693235 UWZFOLARTQEBLY-UHFFFAOYSA-N 426.528 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](OC)C(F)(F)F)CC1 1300732530 NRFBQFNBTUCXCX-HZPDHXFCSA-N 443.470 2.063 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1300843488 FVGKUCUGCKDLBP-ZDUSSCGKSA-N 433.372 2.094 30 10 IEEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1301036560 HYQUMDYUYFJLFT-INIZCTEOSA-N 431.990 2.175 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cnc2ccccc21 1302095879 FTRVSTPMEOSYKD-MSOLQXFVSA-N 439.520 2.171 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C2CC2)c1 1303835766 DXGUIFBACRVJPJ-XOBRGWDASA-N 432.525 2.256 30 10 IEEE Cn1ccnc1[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1F 1304756690 BHFZTAWRNZLHGJ-HXUWFJFHSA-N 444.463 2.391 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCNC(=O)[C@H]1c1ccccc1Br 1307653371 FQYVMBGEQOLBLN-HNAYVOBHSA-N 430.302 2.234 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 1312893817 FVDSUPAWSUVLSM-GVDBMIGSSA-N 443.552 2.356 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1313096373 ABFDENFFRDPYTQ-AEFFLSMTSA-N 434.541 2.078 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313953137 BMRXSPNLBYAVTJ-KNQAVFIVSA-N 433.576 2.032 30 10 IEEE CN(C)C(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1314643583 OZYBMRSPOKVSIE-CALCHBBNSA-N 445.568 2.267 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1316189482 NIICJYFQJPYWNO-XMSQKQJNSA-N 434.585 2.243 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 1352683458 XFFBYYMIGBQPJQ-HDAJJNEKSA-N 431.477 2.488 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1358915931 UMWAIDCVWXMVGR-GJZGRUSLSA-N 429.502 2.187 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1358976656 MLFDOXZVYTXGRK-AVRWGWEMSA-N 444.539 2.299 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCC[C@@H]1C 1359025722 XCBAYLMOECKFRX-NYDSKATKSA-N 426.517 2.428 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCSC2)n1 1359028649 ZHRHOBUYYVNGNJ-RBUKOAKNSA-N 444.605 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@](C)(O)c2ccco2)CC1 1359044778 OLFIHLXOMNNOBG-HSZRJFAPSA-N 425.533 2.402 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359211649 KIHAEWNTKCNRHP-INIZCTEOSA-N 426.521 2.485 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359297144 HDHBKHHVDHFHNQ-MRXNPFEDSA-N 441.536 2.088 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359338592 AVSRWOFBIQCLEV-LJQANCHMSA-N 426.546 2.077 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1 1440713854 LYLWYOMENXDODV-UHFFFAOYSA-N 441.366 2.114 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)c3sccc3S(=O)(=O)N3CCCC3)n2)cc1 1457028343 HTCHCUYTWKJWHW-UHFFFAOYSA-N 442.526 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)=NO2)C1 1466608888 HGCWETUCAOWDSV-SFHVURJKSA-N 426.473 2.224 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)NCC2(N3CCOCC3)CCOCC2)ccc1OC 1468772741 GWISKAYKVDNWHN-IBGZPJMESA-N 446.548 2.057 30 10 IEEE C#CCN(C(=O)c1ccc(OC)c(-n2cnnn2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882088 WDQQGNCWSORQCQ-UHFFFAOYSA-N 440.504 2.146 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccc(Br)cc1 1478897241 WLTXGYSTYPWRIX-IRXDYDNUSA-N 440.363 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCCC2)nc1 1507638850 TUMCKSHAPFNPMP-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1507651536 CECLOLUTMFEFAL-GOSISDBHSA-N 431.544 2.088 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507693722 FVXCRHOCAASUOV-IBGZPJMESA-N 445.589 2.215 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507710562 HYORDGLSSCTRMI-LBPRGKRZSA-N 446.861 2.322 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(CC)CC)CC1 1507730573 UEZSOVXERFYIGH-JOCHJYFZSA-N 438.576 2.278 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1507731220 DDHFJWMMAHSTHW-VQTJNVASSA-N 446.596 2.088 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507865799 VHVJCDBVYNVOHW-SFHVURJKSA-N 436.988 2.059 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1508100651 MRQIIMRUIRTXSF-NRFANRHFSA-N 425.533 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccccc2[C@@H]1C 1508131835 QXRGKKCZMBDGCA-KRWDZBQOSA-N 443.573 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)[C@H](C)C1 1508144759 UFFLJJXGEQHGMF-IAGOWNOFSA-N 428.562 2.210 30 10 IEEE Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc1 1510954140 ZAAVLCFCKVMYKC-SFHVURJKSA-N 433.472 2.126 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1514138393 HMEHFODEROOGIP-GOSISDBHSA-N 429.546 2.257 30 10 IEEE CCOc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cc1 1516164439 NEJBZDRUSMIXSQ-UHFFFAOYSA-N 427.892 2.402 30 10 IEEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)n(C)n1 1516677444 DHDIHFDANBNLMH-NKFKGCMQSA-N 447.517 2.052 30 10 IEEE CS[C@H]1CCCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1520153655 NRHBVDHWBRWBRU-JVMRMLDLSA-N 430.578 2.479 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)CC2=O)cn1 1528065655 IHTKGTNDNUWERH-YOEHRIQHSA-N 435.406 2.282 30 10 IEEE COC(=O)c1ccc(OCCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 1537742699 TXUOMWAFPKOMSG-UHFFFAOYSA-N 430.482 2.359 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539119155 HMVICEHYZKZALQ-WOJBJXKFSA-N 442.608 2.155 30 10 IEEE C#CCCCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1539141306 UHGMBUGQFONLGU-QFBILLFUSA-N 429.487 2.416 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCOCCN(C)C 1539154310 IEUCFAAZUVKIRH-UHFFFAOYSA-N 436.354 2.364 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1539343673 OTPIYEMMQREVKT-INIZCTEOSA-N 429.496 2.299 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539743565 KYJMSASROYUWQE-INIZCTEOSA-N 438.454 2.438 30 10 IEEE CC(C)[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1CCOCC1 1540549223 GLLRDUHFRGQKKU-FSTYKVKCSA-N 434.581 2.246 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540866811 BARKYSDCGAAJFB-OAHLLOKOSA-N 425.411 2.023 30 10 IEEE CC(C)(O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541244818 RACQFGFFYXUUGV-GOSISDBHSA-N 425.493 2.191 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(F)cc2)CCOC1 1541733789 VZPKJVODQFKCPO-UGKGYDQZSA-N 429.496 2.429 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCc2nccn2C1 1541805980 BCDGAWYOZDJLHG-JKSUJKDBSA-N 438.561 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 1544591069 DDCQKNSOLIQRLD-AWEZNQCLSA-N 436.538 2.302 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CCO1 1545057735 AXIHEJWNCRGWEB-KRWDZBQOSA-N 447.561 2.169 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2ccncc2Cl)cc1 1556445259 QOLQVSDEGDKUCI-HNNXBMFYSA-N 435.933 2.393 30 10 IEEE Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1568143758 BZTXJJMKWSZBGP-QFIPXVFZSA-N 436.493 2.260 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1570279901 XJBNJBLVOACTKO-SBHAEUEKSA-N 432.517 2.253 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C(=O)C1 1583134877 OKYFAUFDQIOIOU-KRWDZBQOSA-N 440.422 2.357 30 10 IEEE Cc1ccnc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1586117410 HOCBEACJSUIYGV-OAHLLOKOSA-N 425.876 2.365 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1588054314 NJMDAQOHCJCKDD-LJQANCHMSA-N 443.573 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCOCC1 1588205770 UVFBFZVCHXMOFZ-UHFFFAOYSA-N 437.544 2.148 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1594668247 GOUCQHRNFNLJJM-GOSISDBHSA-N 425.537 2.050 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595659460 ZFDVJXBVQSUBKK-FDDCHVKYSA-N 425.533 2.487 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(O)CC1 1596805927 AANNNDNCQWRPFX-MRXNPFEDSA-N 426.521 2.116 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C1CCOCC1 1622379637 FJFQHWOBBFLDKY-NRFANRHFSA-N 449.550 2.469 30 10 IEEE C[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1623603339 XQODXWPQJFZQKD-NQIIRXRSSA-N 444.576 2.456 30 10 IEEE Cn1nccc1[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1628138506 YFNCBTPJSATTKX-PVEYFEBJSA-N 429.521 2.107 30 10 IEEE C[C@@](CO)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1631187301 OSQXCTUNTNGIAA-QFIPXVFZSA-N 445.541 2.015 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)C(=O)NCC2CCCCC2)s1 1631268378 IMTWZPURCGFEOX-UHFFFAOYSA-N 441.619 2.346 30 10 IEEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@H]1c1cnn(C)c1 1634607555 COOOPCWCOLPBSM-NJDAHSKKSA-N 449.442 2.352 30 10 IEEE COC(=O)[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC1CCCC1 1640253765 JKVNZPIQZZCBQM-PKOBYXMFSA-N 440.500 2.249 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC[S@](=O)CC(F)(F)F)C1 1640356705 DDIYWJXDLLMQOL-VWLOTQADSA-N 438.269 2.184 30 10 IEEE C#CCN(CC(=O)NC1CCC2(CC1)OCCO2)C1CCN(C(=O)OC(C)(C)C)CC1 1644504652 QPBWGGNSXVOWHB-UHFFFAOYSA-N 435.565 2.123 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN([S@](C)(=N)=O)CC1 1644938158 UVJYUVPXWLVZNY-OKXSDPAFSA-N 447.561 2.128 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 1652060198 RBLLYGXHJFZXDI-UHFFFAOYSA-N 444.492 2.261 30 10 IEEE N#Cc1cn(C2CN(C(=O)Cc3csc4ccc(Br)cc34)C2)c(=O)nc1O 1653759733 IDNVSYXSUULHRR-UHFFFAOYSA-N 445.298 2.424 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 1654001759 KVWWUXAVZHCCEW-RBUKOAKNSA-N 442.482 2.291 30 10 IEEE C#CCOc1ccc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1672951958 NPSYZSQIXYBWJH-CRAIPNDOSA-N 430.448 2.350 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 1677317673 AALMRRWLVHUCJM-IBGZPJMESA-N 432.528 2.204 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689980059 KXXYZHDXPBMANQ-SFTDATJTSA-N 429.590 2.079 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689982246 JYZKKWXLEFYONU-YJBOKZPZSA-N 435.981 2.175 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1690063587 IPLAZEYLZPSEME-OAQYLSRUSA-N 447.630 2.245 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1690077368 NFWOGIVQFXKEDW-VAMGGRTRSA-N 435.638 2.398 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(O)CCC2)CC1 1690117512 KAIRJXPNHKTBNN-UHFFFAOYSA-N 439.560 2.411 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2c(F)cccc2N2CCCC2)CC1 1690133867 WVPSESAPFIJDRZ-UHFFFAOYSA-N 426.540 2.357 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690140144 NLGTVDDRMIYOJF-FQEVSTJZSA-N 448.571 2.134 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1690252642 HFVXCTXTFCCUIB-KKSFZXQISA-N 429.496 2.256 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1690464474 CBFIOASETZUGCX-SQNIBIBYSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690487753 DSYOPTFJAYCMAT-INIZCTEOSA-N 426.550 2.429 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(C)cccc3C2)nnc1[C@]1(OCC)CCOC1 1690676752 CCWALYSGGLUWQM-QHCPKHFHSA-N 425.533 2.104 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690748790 HNGRFXQMEINKAW-UYAOXDASSA-N 428.606 2.340 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1690918073 OKOFPMWUVFPSII-TZIWHRDSSA-N 436.516 2.179 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC(C)CC2)n1 1693430250 NEJJXZWQJJSHEI-NRFANRHFSA-N 440.596 2.381 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1693837878 IXQXELVVHZZKLW-SJLPKXTDSA-N 445.955 2.223 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCNC(=O)C(C)C)CCOC1 1696046983 JAOBVTYISRBBFV-JOCHJYFZSA-N 432.569 2.223 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1705563980 IVSWSTIQNQXEHV-SFHVURJKSA-N 441.532 2.406 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1NC(=O)CC1(C)C 1705626634 DHHHUBDMAGIJRJ-HXUWFJFHSA-N 447.543 2.132 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1 1705628624 LUENHUYSOJXEGB-KRWDZBQOSA-N 433.553 2.473 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1705715981 VULSZJXTYSISDI-FUHWJXTLSA-N 428.512 2.115 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1705877972 GJYRPEZDPPERKF-MOPGFXCFSA-N 436.560 2.379 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1705880529 IEJZCUOWZIOOOM-INIZCTEOSA-N 427.534 2.460 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1706068274 HLDWGXXACHDRSE-QGZVFWFLSA-N 447.609 2.131 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br 1708148006 WKTYVSWYANQPBI-LLVKDONJSA-N 439.264 2.471 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1N(C)CCCC1(C)C 1710698000 OKMUAIPVWIEDSE-LJQANCHMSA-N 439.564 2.470 30 10 IEEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1712723645 BUXYNEHWBRGKLO-QGZVFWFLSA-N 449.602 2.494 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722359454 MSGTWVAQMBFWRZ-SFHVURJKSA-N 426.498 2.222 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1722364611 MBJVKGZDPUXCQX-HKUYNNGSSA-N 440.573 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722380553 PVZZICDRFMLFOR-UHFFFAOYSA-N 448.552 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)CC(F)(F)F 1722381532 DJDARXWPRKBOEF-UHFFFAOYSA-N 443.477 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCNc2ccccn2)CC1 1722444920 IXZFRGAMDZUGTA-UHFFFAOYSA-N 444.543 2.203 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(N)=O)C2)cc1 1722704942 QAAUNUVXCQFENL-IBGZPJMESA-N 435.532 2.064 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1722704943 QAAUNUVXCQFENL-LJQANCHMSA-N 435.532 2.064 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1723678523 RTVCHZUAZGXPKB-VXKWHMMOSA-N 433.553 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CC1 1724010340 IJXVWSRYTJQQFH-HRAATJIYSA-N 446.552 2.241 30 10 IEEE Cc1nnsc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1724133222 GHUKZWWBJZXOIN-GFCCVEGCSA-N 431.547 2.153 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1726771147 AKQYBLIPWLPJLS-LTMIRXACSA-N 441.532 2.131 30 10 IEEE CC[C@@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1727283914 LIIKLUIEOZRLJT-VVLHAWIVSA-N 434.541 2.203 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1729588627 ATMPMKOSFHDRGA-SJORKVTESA-N 441.536 2.412 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)CC(=O)N1CCOCC1 1740595543 UMFUEUNRPFQUEI-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCCC1(C)C 1740630744 LNLNGKHPODLSLU-QHCPKHFHSA-N 440.569 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CC(OCC)C1 1740651033 WRDMWIUXSCGCNY-UHFFFAOYSA-N 436.512 2.109 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(C)(C)O)CC1 1740703084 FSJWOJWIFQTLIE-UHFFFAOYSA-N 435.572 2.485 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740792041 SZOAHSXZJTZVNJ-RXVVDRJESA-N 426.565 2.398 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740852045 HOZUBDMICDRWLB-VGSWGCGISA-N 432.569 2.135 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1740917192 JNKMTWJMYWVQOW-KRWDZBQOSA-N 433.578 2.386 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740948899 QNYFQUDHDMCJLW-SFHVURJKSA-N 444.923 2.463 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1740968118 BSURZHFGXJNXJL-NHCUHLMSSA-N 441.532 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1740991192 QFLSIXKIWWOCEH-UHFFFAOYSA-N 440.573 2.345 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1741128666 AGPVQBHAPPLRQC-QAPCUYQASA-N 444.609 2.174 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1741129602 FQVKZYQGAGXLLJ-XWSJACJDSA-N 444.559 2.462 30 10 IEEE CC(C)c1nnc(N2CC[C@H](CN3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741350866 GDLXFDZMJSJTAL-ZBKJMMEJSA-N 441.580 2.240 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(N(C)C)nc2)CCOC1 1741723307 KJFFRDUOPNCZPS-FCHUYYIVSA-N 443.527 2.270 30 10 IEEE CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1743878642 DHWNAFFQLOQNEM-LPHOPBHVSA-N 446.515 2.040 30 10 IEEE CCc1nc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1744482379 RSPKEOUQMMJITQ-FMQUCBEESA-N 441.561 2.412 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1748751616 ZQOSHOBVGWLMMZ-QZTJIDSGSA-N 433.553 2.315 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1748843295 AFKLOZCHDLKDTB-LVCYWYKZSA-N 436.585 2.447 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749126912 HTPZSJFDODFJJE-VQIMIIECSA-N 448.593 2.115 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1749131673 UHWHFZAGJGSVGO-AOIWGVFYSA-N 431.562 2.193 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749260457 QSFOUFKFZZVLNT-HNAYVOBHSA-N 429.956 2.081 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749650119 KICDNXWRGMNFRT-RYRKJORJSA-N 431.541 2.017 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1749682841 AUAFDPNUCSBHRQ-HXUWFJFHSA-N 439.560 2.253 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1749684069 PKEIXNQTGWZACU-OAQYLSRUSA-N 448.527 2.213 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ncc(CC)s2)C1 1749718431 VLBGAQVJRKHGCW-INIZCTEOSA-N 430.578 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1749726800 FMDIVDHQGIIMTL-UHFFFAOYSA-N 449.964 2.010 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@H]1CCOC1 1750644942 AJFGKEXHQWMICV-IBGZPJMESA-N 425.537 2.190 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccc(C)c(F)c1 1760207209 ZXKLTBPRDOJFPN-UHFFFAOYSA-N 447.518 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1n[nH]c(C)n1 1760217056 NOBCKFFHSCPKTA-UHFFFAOYSA-N 425.500 2.263 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CC2)n1 1760251439 AJBSJBBHZLJXDY-UHFFFAOYSA-N 441.923 2.001 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(CC)CCC)CC1 1760260758 BCCVBLCTOCSMDV-JOCHJYFZSA-N 438.576 2.278 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1760314235 VHYIXQMTNVBKMW-PBHICJAKSA-N 435.960 2.421 30 10 IEEE CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1760880881 KWNBHGMWGHPYSR-BRWVUGGUSA-N 434.541 2.408 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C)Cc2ccccc2C1 1761482223 GZMMEIJGJFQUFN-VFNWGFHPSA-N 446.552 2.135 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 1761903826 HGGAWVJLYHQZQM-ICSRJNTNSA-N 438.580 2.330 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1763927612 LLIDIXAOHHIHTB-SBUREZEXSA-N 438.532 2.117 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1764823009 CUBLIVSEILLSBT-AWEZNQCLSA-N 443.451 2.304 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC1(N2CCOCC2)CC1 1771109699 BCIKNWPKASTWPP-UHFFFAOYSA-N 445.955 2.225 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](OCCOC)C2)c1=O 1772880302 CGSZMNCERJOOAJ-NRFANRHFSA-N 448.527 2.288 30 10 IEEE CN=C(C[N+](=O)[O-])N(C)C(=O)C[C@@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O 1851960522 FYLYWQZRWGPHBF-KRWDZBQOSA-N 438.440 2.266 30 10 IEEE CCOc1ccc(N2CCN(C(=O)c3nc(C)c(Br)c(C)c3C#N)CC2)nn1 1851972251 SFFPBOCWGNTGHU-UHFFFAOYSA-N 445.321 2.484 30 10 IEEE COc1cccc(C#N)c1OCC(=O)O[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1 1852369231 QFOZUQCEVFOZAU-QGZVFWFLSA-N 430.482 2.261 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CN(C(=O)C3CC=CC3)C(=O)O2)CC1 1856386987 ATJLUKGLFRIJEO-GOSISDBHSA-N 429.498 2.273 30 10 IEEE COc1ccccc1C(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1856896034 OVTFBNAHDNJXRO-UHFFFAOYSA-N 427.482 2.349 30 10 IEEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(OCC(F)(F)F)ncn3)C2)CC1 1857209156 XDSLOIQKHUEWAW-CQSZACIVSA-N 425.411 2.032 30 10 IEEE C[C@H]1CC(=O)N(C(=O)[C@H]2Cc3ccccc3O2)c2ccccc2N1S(=O)(=O)CC#N 1857463624 MZMUZOGONGWCSJ-IFXJQAMLSA-N 425.466 2.002 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1870143946 ILDOAVRAWFXRFN-UHFFFAOYSA-N 430.424 2.162 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(OC)c2)cn1C[C@H](C)O 1870652256 UFEAEJXBXBQPNB-SFHVURJKSA-N 441.528 2.429 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631773 IVXCNDUPRJHUHO-UHFFFAOYSA-N 435.532 2.465 30 10 IEEE C=CCn1c(C(=O)NCCCOCCCC)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873594431 UDPAVNPYRCZGNM-UHFFFAOYSA-N 442.564 2.222 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc[nH]1 1874436340 WVSCAOYLMIDCSK-AUEPDCJTSA-N 425.518 2.472 30 10 IEEE C=CCN(CC(=O)NCc1c(I)cnn1C)C(=O)OC(C)(C)C 1988516501 CJDZWOALOLXQFR-UHFFFAOYSA-N 434.278 2.064 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@@H]4COCC[C@H]43)c(Br)c2)OC1(C)C 2172780742 UWTJSLTVYLMYMH-HUUCEWRRSA-N 425.132 2.137 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2224128525 VQYCRCKDOUJJCA-NVXWUHKLSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@H](O)C#Cc1ccccc1Br 2227468428 ADXJDGTWOZYUFG-HZPDHXFCSA-N 444.347 2.099 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)C1 2247549718 NFWTVAKYMQERKK-TXCIGDHXSA-N 431.455 2.351 30 10 IEEE C=CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN(C(=O)OC(C)(C)C)C1 2255701945 YXVIQMOFNCCNKO-UHFFFAOYSA-N 431.342 2.230 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2255710287 IQXHBJIORIOOQM-PBHICJAKSA-N 431.342 2.395 30 10 IEEE Cn1nc(C(=O)N2[C@H]3CC[C@@H](C3)N2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255843987 OSDQNOKFGYYAPP-KBPBESRZSA-N 432.330 2.248 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256622471 HRNFBUMRDWIKAZ-UONOGXRCSA-N 432.330 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256889999 DOXCAQYZSYWMAT-HOTGVXAUSA-N 437.321 2.302 30 10 IEEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)c21 2258956706 GUZGZFCXTUSKMD-UHFFFAOYSA-N 430.314 2.393 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267089421 DIBDEKVGZVQMRR-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2267099755 NLIOOPQCAQVJRA-BPUTZDHNSA-N 446.357 2.227 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267132182 MNLMGOTZCQBDMB-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267136029 CJVKROYRWHIAQN-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139206 CSPCWUUCUGYGCG-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2267155068 OIIKEVFJPBPBOG-CYBMUJFWSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267171560 MDRDORANAIGPJP-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@@H]21 2267518307 CXUHFOCTADJORZ-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267801910 LJJFOIWZPXTQKV-CMDGGOBGSA-N 448.325 2.208 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H]2COC[C@H]21 2269003283 PGXBSMLFVXKOJZ-IAGOWNOFSA-N 449.332 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2269763235 ZMKJDYMWWVHCGQ-INIZCTEOSA-N 447.341 2.345 30 10 IEEE N#Cc1cc(Cl)ccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270524534 MMWLXPUCMLOQKF-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)OC1(C)C 2282182354 RBOFTGOYZOQPRI-CLOONOSVSA-N 448.376 2.370 30 10 IEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c(C)n1 2296612006 SWMZPPRDSQFSDB-OAQYLSRUSA-N 436.512 2.237 30 10 IEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccn2C)o1 2330750059 PWVWDJGNYRQTSO-UHFFFAOYSA-N 430.490 2.197 30 10 IEEE C#Cc1c(F)cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2370288202 YQKHTKFAZLJSFD-QGZVFWFLSA-N 438.408 2.067 30 10 IEEE O=C(/N=C(/NCCN1CCOCC1)Nc1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 46140717 WBTOGRPGKXFSAG-UHFFFAOYSA-N 432.427 2.224 30 10 IEEE CCc1c(C)sc(NC(=O)C[C@@H]2S/C(=N\c3ncccn3)NC2=O)c1C(=O)OC 72435099 VNVJXLYZWCTEGD-NSHDSACASA-N 433.515 2.443 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@@H]3/C=C/c3ccccc3)N2)C1 72445763 GKCUZWLYQGRSSW-CAIRHXIQSA-N 447.495 2.398 30 10 IEEE CC(C)C(=O)N1CCC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 117614867 TYPHMDLHGCGITN-IBGZPJMESA-N 426.496 2.161 30 10 IEEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 443822658 LHORYNBBLPSVLA-UHFFFAOYSA-N 427.468 2.916 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 460580924 GBVMQIWIMKDTNL-SFHVURJKSA-N 437.566 2.095 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 476462374 QXMNFVXYYROCKE-HXUWFJFHSA-N 439.509 2.243 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CNC1(CO)Cc3ccccc3C1)CCCC2 495006191 LMPKCQDLBWSOCO-FQEVSTJZSA-N 448.567 2.476 30 10 IEEE N#Cc1cccc(COc2cccc(CN3CCN(CC(=O)N4CCOCC4)CC3)c2)c1 506041021 REHQWUPXCUEWES-UHFFFAOYSA-N 434.540 2.114 30 10 IEEE Cc1cccc(C)c1NC(=O)CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513791573 QVLTVMRTXNDJOM-UHFFFAOYSA-N 440.569 2.205 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cs1 517984558 AXPLBSXBMXZWTP-CQSZACIVSA-N 431.583 2.226 30 10 IEEE N#CCc1ccc(Oc2ccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1 518390002 MFZPCAIZNRSJDL-UHFFFAOYSA-N 448.523 2.162 30 10 IEEE CC(C)(C)c1nc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 524013993 DBURZPBMUBMHHT-UHFFFAOYSA-N 432.571 2.388 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)CC1 557396605 XGQDPNQRHXJLLN-UHFFFAOYSA-N 437.569 2.286 30 10 IEEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 558986344 IRNXTSXBQBKIEX-UHFFFAOYSA-N 442.951 2.026 30 10 IEEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 562175385 JBCDBPQMQAWXIN-UHFFFAOYSA-N 440.529 2.090 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CN3CCCc4ccccc43)n2CC(=C)C)CC1 568125397 QTYPVELQSDYIST-UHFFFAOYSA-N 449.603 2.231 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H](C[C@@H]4COCC(=O)N4)c4ccccc43)CC2)o1 568315280 DPYBEKJGFVCKCZ-ZWKOTPCHSA-N 449.511 2.107 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 571583519 LBBSWQHKNIBWDR-LPHOPBHVSA-N 437.562 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC[C@H](NC(=O)c3cccc(C#N)c3)C2)CC1 585988339 XKCUHKHYOYHQQR-IBGZPJMESA-N 441.532 2.425 30 10 IEEE CCCOCCOC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 586297925 AMCVLAVHOXALRK-QYSRSOONSA-N 426.560 2.402 30 10 IEEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 586640774 BFELAZDUHBUIHO-UHFFFAOYSA-N 428.514 2.470 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c(F)c1 586849695 OWNVFQDKOMUDQJ-UHFFFAOYSA-N 431.427 2.277 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccccc3C#N)c2=O)o1 604001949 YOEOJXPNESFPIW-UHFFFAOYSA-N 444.516 2.234 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2CN2CCCCC2)cc1 609344866 SKBIOHVDAFBPCN-UHFFFAOYSA-N 426.542 2.139 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c1 673765805 UCBMJKITKOXYNY-AWEZNQCLSA-N 442.497 2.156 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669309 KIPGQXXAAQDPLL-UHFFFAOYSA-N 438.553 2.102 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 732465444 FGWZSLBDHLNNAI-QBNCKDSPSA-N 449.914 2.269 30 10 IEEE CN(C)CCN(CCc1ccccc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733756510 ANQFVTQLDHPPNM-JOCHJYFZSA-N 447.539 2.396 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 743732814 RCQYYYWMMRWZFC-UHFFFAOYSA-N 427.526 2.494 30 10 IEEE COC(=O)C1=C(C(=O)c2ccncc2)[C@@H](c2cnc(-c3ccncc3)s2)NC(=S)N1 753386608 CXLFOACKAKLCRY-OAHLLOKOSA-N 437.506 2.429 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 758060735 KYKPUGIPIMHWQX-UHFFFAOYSA-N 431.492 2.472 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](c2cccnc2)C2CC2)C1=O 758088931 HHZYXFOLMLEZJM-HKUYNNGSSA-N 437.525 2.399 30 10 IEEE C=C(C)Cn1c(SCC(=O)N(C)CC(C)(C)S(C)(=O)=O)nnc1-c1ccco1 763653868 IKWBWLZNIDLGCO-UHFFFAOYSA-N 426.564 2.488 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c(C)c1 766419775 NGGQGGOOXKARCQ-LJQANCHMSA-N 440.573 2.293 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2CCCN(CC#N)C2)[C@@H]2CCCO[C@@H]2C1(C)C 783900535 SQMJOXFWUKEKRO-FXKZBUDASA-N 434.581 2.437 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 787058165 IDHZCZCLJBUXQY-HIFRSBDPSA-N 442.378 2.251 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)n1 788559559 XVRVDILEDHUVHT-UHFFFAOYSA-N 439.516 2.198 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)n1 788561248 VMBNATRSFMVHMX-UHFFFAOYSA-N 425.489 2.332 30 10 IEEE COc1nc(Br)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 789421870 DQEBKICOQGEHOV-SNVBAGLBSA-N 439.291 2.030 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCOC(F)(F)F)C1=O 790745835 FGTLJOSBNNUQMG-LBPRGKRZSA-N 438.497 2.284 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc1 791078284 HPIBSTRQLSIHFF-UHFFFAOYSA-N 433.480 2.229 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C)c(C#N)c1 799549006 HXEDEIMTRFMCQL-CQSZACIVSA-N 445.497 2.310 30 10 IEEE N#CC1(CCCOC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCOCC1 800135794 XOOOWTHKGCNGMF-UHFFFAOYSA-N 431.308 2.354 30 10 IEEE COc1cc(C#N)ccc1OCCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 805431559 FQIWPIJJZBOGKL-HNNXBMFYSA-N 436.511 2.404 30 10 IEEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)CSc3ccccc32)cc1OC 916935786 WHSWGUQVMTYZPA-CQSZACIVSA-N 425.466 2.490 30 10 IEEE COc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2ccccc12 1083947111 LZFDFNQDOTZXJK-UHFFFAOYSA-N 449.515 2.153 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084277058 ARUVIDIUOXKJJC-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4ccccc4)cc3=O)C2=O)cc1 1128015088 AHVQXUADEXEXKY-HXUWFJFHSA-N 427.464 2.094 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(Br)c(C(F)(F)F)c2)C1=O 1129928191 RJYZJANWIFVCJG-UHFFFAOYSA-N 435.152 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCC(CC#N)CC2)C1 1138163760 SMHLINQQXYQYIR-QFIPXVFZSA-N 437.537 2.486 30 10 IEEE C#Cc1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1 1141042740 CIHVOMLPJVNTFY-IBGZPJMESA-N 432.929 2.171 30 10 IEEE C=CC[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OCC 1154004121 HFARLFMSAQSQTA-IRLDBZIGSA-N 449.507 2.124 30 10 IEEE CC(C)N(CCO)CC1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1162805864 KUCDFFYDVLWDDC-UHFFFAOYSA-N 435.590 2.319 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1286360168 CVZYTCKDCZPYDU-IRXDYDNUSA-N 429.496 2.122 30 10 IEEE C#CCN(c1nnc(C)n1CCc1c[nH]c2c(CC)cccc12)[C@@H]1CCS(=O)(=O)C1 1286383782 NYGGAIQHTVWGRA-LJQANCHMSA-N 425.558 2.500 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286389497 KZMRAVNNPAISIT-SFHVURJKSA-N 445.564 2.448 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1scnc1C 1286401711 QIVVHAAYZIYSKN-UHFFFAOYSA-N 439.566 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCSCC2)CCCC1 1286415386 NFPXMGHKYIKFHP-UHFFFAOYSA-N 442.633 2.241 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286606995 AFGQXGXLEDYEMU-RBBKRZOGSA-N 446.640 2.448 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286775772 JYDXAEGLVXDXDY-HNNXBMFYSA-N 430.503 2.122 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286784204 AVEFLMDNPSLSGK-QHCPKHFHSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1286787087 NWQLHULEEZCQSZ-GOSISDBHSA-N 439.907 2.269 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286792005 JRMKXHUHNOHIAE-VQTJNVASSA-N 436.516 2.179 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286831405 ZYWVVZABVNPYEM-QGZVFWFLSA-N 428.562 2.144 30 10 IEEE N#C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CCN1C1CC1 1287784704 SQKIRCHRITXYRX-HNNXBMFYSA-N 447.280 2.289 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN(C)c1ccccc1 1288171625 YUZKOPFWPRBJDF-IBGZPJMESA-N 425.537 2.062 30 10 IEEE CN(C)CCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cn1 1291720972 IYAPZJUBKOZSSG-HIXSDJFHSA-N 446.577 2.290 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(Br)CC1 1299011342 QMNSEDLHNUWGHZ-ZDUSSCGKSA-N 428.352 2.184 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1299183939 AEAVAEGVPCPEKX-AUSIDOKSSA-N 438.532 2.117 30 10 IEEE COC(OC)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1299729008 WQNGGTGVDJACQB-MAUKXSAKSA-N 447.561 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCN1CCN(C(C)=O)CC1 1300324957 PLCZUBHURWQBDQ-IBGZPJMESA-N 438.576 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300541323 RNPWXTZRNYJKQL-NHCUHLMSSA-N 445.571 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(F)(F)CO1 1300591118 LFPNTRXSIATDOO-OAHLLOKOSA-N 433.484 2.157 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(F)F 1300663770 IJZAYNHNXUFPRQ-UHFFFAOYSA-N 440.520 2.370 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1300709012 ZUDHOHXBWMCYIB-CYFREDJKSA-N 434.544 2.035 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301197448 UBKZXMXBLTWXJC-UHFFFAOYSA-N 449.519 2.017 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301259756 NQTMVMOBJCYWJI-PXNSSMCTSA-N 446.621 2.383 30 10 IEEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1301279071 VILLWPHJUNMVOR-VBKZILBWSA-N 436.603 2.303 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301289839 RZBKRTAVKVPKOI-MJGOQNOKSA-N 430.578 2.475 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1)C1CC1 1301331089 FIOOTPYIDGJBLE-INIZCTEOSA-N 430.578 2.145 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnccn1 1301481674 NWNBSXHKFCSITN-HNNXBMFYSA-N 425.468 2.286 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301492524 JNYNORDQGOXISO-VQIMIIECSA-N 441.532 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)[C@@H]1C 1301576070 REVXWIKZKWSWJC-HNNXBMFYSA-N 449.533 2.458 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1301951187 XWJDPCCVHQEDNB-UHFFFAOYSA-N 426.521 2.428 30 10 IEEE C=CCn1c(SCC(=O)N2CC(O)(c3nccn3C)C2)nnc1-c1ccc(Cl)cc1 1302973685 VEMVQGMABDHLJG-UHFFFAOYSA-N 444.948 2.340 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1303446203 AKXLXURQCNLXAN-UHFFFAOYSA-N 437.548 2.082 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)N3CCC4(CC3)CC(=O)C=CO4)O2)C1 1313034598 MIGLAVZTZBEHJW-QGZVFWFLSA-N 435.521 2.202 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1315814431 GZJYNLMWLAMGMT-LJQANCHMSA-N 428.512 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1358873980 QNPZLECAZUSXLJ-NTKDMRAZSA-N 439.560 2.435 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1358891095 ZGYYOHCBHYTUSM-WMZOPIPTSA-N 438.557 2.087 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1358931643 IKVACACPMNORAZ-HSZRJFAPSA-N 443.555 2.026 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCSCC)CC1 1359032011 YCXXUVZRQUDROH-UHFFFAOYSA-N 447.630 2.247 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1359064230 OHYJDTROXOGQIE-VBKZILBWSA-N 435.525 2.076 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCC(C)(C)C2)CC1 1359173564 IWZUZPNMSXAJPO-QGZVFWFLSA-N 438.642 2.413 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359224575 WKOPDKAIEDDNIE-XLIONFOSSA-N 438.536 2.375 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1359226553 HSYZUWWYQIMFEM-GOSISDBHSA-N 440.548 2.157 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCn2nc(C)cc2C)C1 1359324702 QSXWRYRLKWHCPM-IBGZPJMESA-N 427.553 2.085 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(C)COCCO2)CCOC1 1360340785 FNWPQXYVWMGCJW-BHIFYINESA-N 433.553 2.254 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)cc(OC)c1OC 1442582811 KZWIEZSTNQVUHN-ZDUSSCGKSA-N 439.877 2.159 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3c(sc(N)c3C#N)C2)s1 1456731270 DSILFTHCNNNHAZ-CQSZACIVSA-N 436.584 2.310 30 10 IEEE CN1CCC[C@@](O)(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 1464340151 JURMGSCMELRPJC-GKYQZKGUSA-N 436.578 2.065 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCN(CC(=O)N(CC)CC)CC3)n[nH]2)c1C 1464889986 DHHFQKXDIUALBU-UHFFFAOYSA-N 441.580 2.092 30 10 IEEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466047750 NTMQFBCAJTWPJB-GEXQTFPDSA-N 449.548 2.342 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1469398684 UTDGLFTVYKEOAS-WMLDXEAASA-N 435.546 2.237 30 10 IEEE C=CC[C@@]1(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CCCN1C(=O)OC(C)(C)C 1470224877 FFUYOZIVTRUASC-PKTZIBPZSA-N 437.581 2.064 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 1470500060 STMNIIIPCGLLBT-VGOFRKELSA-N 447.557 2.118 30 10 IEEE COc1cc2ncn(CCCC(=O)N3CC(Nc4cccc(C#N)c4)C3)c(=O)c2cc1OC 1470618210 HZYNHENLFDDGNW-UHFFFAOYSA-N 447.495 2.388 30 10 IEEE C[C@@]1([C@@H]2CCCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)COC(=O)N1 1470672742 WWCPEMMMLZAWBK-XXBNENTESA-N 425.533 2.443 30 10 IEEE C=C1CCC(CNC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1471283371 JNZSKUVKULYFFO-QGZVFWFLSA-N 429.583 2.456 30 10 IEEE C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850456 OHWCXEQTXRIEPK-SPKLELGKSA-N 434.518 2.146 30 10 IEEE CN(OC1CCCC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1503642826 WJAOCRPCQOYXOD-QTIQAUKSSA-N 430.509 2.357 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1Cc1cccnc1N1CCOCC1 1504872562 CGNYRZVJIJFDJZ-UHFFFAOYSA-N 447.543 2.391 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(F)(F)CO1 1504887051 LWNCAMBZPBQCCB-KRWDZBQOSA-N 445.474 2.307 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCC(F)F)c1 1505122530 UHLWZRPLKMBJFG-SFHVURJKSA-N 443.451 2.072 30 10 IEEE C#CCN(CC)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507698980 XCCBNSRQXBKMPJ-FGTMMUONSA-N 433.553 2.299 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCn1cnnn1 1507706566 NPEYEZDBHFAJGF-UHFFFAOYSA-N 440.577 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCC[C@@H](O)C1 1507708098 HQGXJEAWBURQLE-IEBWSBKVSA-N 426.517 2.353 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS2)n1 1507717183 QCQHRRYPVUNBFY-LJQANCHMSA-N 440.577 2.057 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 1507718489 DRNBWILRAWQWEY-MBSDFSHPSA-N 443.523 2.118 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1507761787 RABGPNYWJGSWMQ-RTBURBONSA-N 434.338 2.190 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507979646 BJCIAIRMVXGHQZ-QGZVFWFLSA-N 444.536 2.484 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1508087137 BFFXJTYGEQMTPB-INIZCTEOSA-N 429.525 2.322 30 10 IEEE C[C@@]1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1510357347 SXRGVKHRGHUCMX-YLJYHZDGSA-N 433.896 2.045 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1514611801 VJPVQLJGEQEERZ-FTHOYRMOSA-N 443.596 2.270 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 1536580983 PRHAIDJXMWPIFJ-UHFFFAOYSA-N 433.285 2.278 30 10 IEEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)C1 1538582266 AKQZNEKYHBNUQM-INIZCTEOSA-N 436.505 2.091 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCOC1 1539319822 HOXMSFLDMNCJJR-HXUWFJFHSA-N 429.318 2.322 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCC1 1539377722 UFFCHXCBJKULDY-UHFFFAOYSA-N 436.604 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1539402670 FZMWINBQHIATCH-HXUWFJFHSA-N 436.560 2.404 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1539526857 VRBYSTUAGCWOAJ-UHFFFAOYSA-N 443.621 2.201 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1539729008 FLLFCXDQVUZDQB-APWZRJJASA-N 447.511 2.101 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(=O)NCC)CC1 1539871456 NUSPKSBWAJPOST-UHFFFAOYSA-N 425.537 2.490 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1)C1CC1 1540094498 MSXAPFHQGFYREK-UHFFFAOYSA-N 438.458 2.492 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1540867902 LKQNHKRLKSUGRX-PKOBYXMFSA-N 439.564 2.164 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1541117627 KAYFPGYOKQDNPZ-WMZOPIPTSA-N 433.507 2.216 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1cccc(Br)c1)c1cc[nH]n1 1542500983 BRZFIDRSROVSQC-GFCCVEGCSA-N 437.294 2.203 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1545877665 IYEYTHPKBPOVCP-WTNAPCKOSA-N 448.543 2.367 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1545894170 QRALMIGTPPOXBY-XZOQPEGZSA-N 441.580 2.337 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)s1 1546078729 XOJFBZAEGJKRIR-UHFFFAOYSA-N 443.591 2.319 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)OC1CCCC1 1548334838 KAKOGWDNELUJQS-UHFFFAOYSA-N 432.550 2.457 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1555715233 AAKHZGPQUIWRQY-LJQANCHMSA-N 436.520 2.340 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1556915318 KGTCEXQNSXEZDC-OAQYLSRUSA-N 435.546 2.086 30 10 IEEE C[C@@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1CCNC(=O)OC(C)(C)C 1557353337 VNCZTIGSCXRULB-WZHXCRBMSA-N 434.537 2.445 30 10 IEEE CCCn1c(CCC(=O)NCc2ccc(C#N)s2)nc2cc(S(N)(=O)=O)ccc21 1558996267 CDVJOMGHHPVUTK-UHFFFAOYSA-N 431.543 2.276 30 10 IEEE N#C[C@]12CN(Cc3ccc(I)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1560194078 RRKJXQDAGGMKDW-SMDDNHRTSA-N 436.702 2.315 30 10 IEEE C#CCC1(NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CCC1 1585006151 SWBBOJDGGLEMGI-UHFFFAOYSA-N 426.542 2.218 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NCc1ccccc1 1588011796 KCKMJDJCRDZUQW-UHFFFAOYSA-N 436.541 2.046 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588064550 KFXDRDXGHCAXJI-LJQANCHMSA-N 428.558 2.245 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@@](C)=O)CCC1 1588099178 IWTCWHQBWSYNKZ-SSEXGKCCSA-N 426.542 2.336 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595184744 AHIONBHJDLJKGL-MRXNPFEDSA-N 446.533 2.313 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCOCC2(CC2)C1 1595812399 RXBOUAJZVAKLCV-UHFFFAOYSA-N 434.537 2.226 30 10 IEEE CC(=O)Nc1ccc(CCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1596305197 PYFDSIIPBRLKMA-UHFFFAOYSA-N 430.516 2.381 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC2CC2)[C@](C)(CC)C(=O)OC)ccc1F 1598218353 REKAOOSBEAXIKO-HXUWFJFHSA-N 426.510 2.484 30 10 IEEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1603419513 MZNTVYIDMFHGMA-OALUTQOASA-N 434.610 2.421 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1616345884 CRABDRVZEDTWIS-QOCHGBHMSA-N 446.442 2.330 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)C[C@H]1C 1619937190 CCBKGYDPSNRITH-LJQANCHMSA-N 425.581 2.314 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCCOC[C@@H]2CCOC2)cc1 1620352100 LOJWABSNVYEKFY-FQEVSTJZSA-N 441.532 2.399 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CC1 1623669674 UTVNBGSMDFEJLJ-UHFFFAOYSA-N 438.963 2.468 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)C1(CO)CCCCC1)c1cc[nH]n1 1627682905 HIPSQSJZADTWML-NRFANRHFSA-N 442.516 2.494 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 1631151375 LSNUUBGPCIELIK-QGZVFWFLSA-N 430.505 2.264 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc1 1632180348 JRAUJUHYENMRME-KXBFYZLASA-N 442.541 2.199 30 10 IEEE N#Cc1cc(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)ccn1 1634627893 JHVKYBFVZBGZFV-UHFFFAOYSA-N 427.258 2.408 30 10 IEEE COc1ccc(CNC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 1636728178 CDUUSZQKALGHMO-SSEXGKCCSA-N 435.546 2.331 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3cc(Br)cn4ncnc34)CC2)c1C#N 1636900995 PXRNNPYGSPPEBO-UHFFFAOYSA-N 432.307 2.091 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1638598194 OZMJQYQFXUMJMF-UHFFFAOYSA-N 439.516 2.084 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1F 1640266219 RMMCCVNEQIYKQR-INIZCTEOSA-N 433.505 2.307 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)[C@H]3COCC34OCCO4)n[nH]2)c1C 1642464856 BLADCZOEESJBGH-GOSISDBHSA-N 429.521 2.222 30 10 IEEE COC(=O)[C@]1(C)C[C@H](OC)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1644113069 SMNXAOSYWIEGMO-JTSKRJEESA-N 428.489 2.209 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])c1 1645301450 YDGOTHLEDXLSBJ-HNNXBMFYSA-N 438.506 2.156 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 1648057468 LMKNEHAPLMXRIT-QFIPXVFZSA-N 427.457 2.413 30 10 IEEE N#Cc1cnc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 1655021034 KZNFIRSVFYHZJO-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 1655115697 VEODKSBSQLGSRE-QZTJIDSGSA-N 435.450 2.179 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC2CCN(C3CCOCC3)CC2)cc1Br 1665948650 FHJAEZCPAPQZAI-UHFFFAOYSA-N 428.352 2.242 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 1680685795 NWONCCWGEYSLOJ-QGZVFWFLSA-N 431.352 2.043 30 10 IEEE CS(=O)(=O)C1(CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1686352217 YHQPAKGJOAITMV-YUMQZZPRSA-N 444.344 2.376 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2sccc2n1 1690154412 NIWWOFUPJHILKW-UHFFFAOYSA-N 445.574 2.129 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690724640 TUHTZBCZCDIWQG-RTBURBONSA-N 438.594 2.373 30 10 IEEE Cc1ccc(N(C)c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1693105566 YZRYODXYEOTATC-ZZEZOPTASA-N 437.504 2.019 30 10 IEEE C[C@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)[C@@H]1C 1693876289 NYHOMWSYOKTTGL-HZPDHXFCSA-N 449.602 2.208 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(OCCOC)cc1 1694700264 PMJXDUSMYHMNNQ-UHFFFAOYSA-N 434.500 2.449 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1 1696142449 OIVNWFZCXKHKAL-HNNXBMFYSA-N 436.472 2.266 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1696588475 HAGHAZDLTFJMJW-SFHVURJKSA-N 449.490 2.487 30 10 IEEE COc1ccc(CCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F 1697416494 FLXJCGXSWSIGFJ-HNNXBMFYSA-N 436.495 2.354 30 10 IEEE COCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698226002 HIPLKNRRRFLNOD-HXUWFJFHSA-N 444.967 2.362 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC1(O)CCOCC1 1705481562 IWBXGKGXSKVUQS-MRXNPFEDSA-N 444.532 2.360 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(=O)(=O)CC 1705489422 PCNOVSBQRBXFPN-INIZCTEOSA-N 428.562 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(-n2cccn2)cc1 1705626205 MGYYNHOOVKDFCH-UHFFFAOYSA-N 430.516 2.193 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(O)(CCC)CCC)CC1 1705638348 HSYUGHVHLGIDPU-UHFFFAOYSA-N 442.564 2.092 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705827981 XIYXXOVZKJWKPP-QHCPKHFHSA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705895489 IIIVNJJLGDCTIF-ZFWWWQNUSA-N 448.369 2.011 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705907036 YHUBAPOLXCIKMJ-APWZRJJASA-N 429.521 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc2ccccc2o1 1705934478 NSSQBKAGRMVBSV-KRWDZBQOSA-N 443.529 2.213 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCn2ccnc2C1 1706076782 CBGACPNCQOBJJX-HOTGVXAUSA-N 438.561 2.325 30 10 IEEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1708229664 ZYOHZJFSWKSKOU-CVTQAYBASA-N 430.578 2.479 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708555310 GSLHYCGUNADHME-AJKFJFBCSA-N 440.504 2.489 30 10 IEEE CN(c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1711042155 IJEOLBGRTCGRDT-IJYGLTAASA-N 444.586 2.399 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1)C(F)(F)F 1711530283 VLDCYFYNKZZMPP-HZPDHXFCSA-N 436.438 2.486 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1712134860 OBXCLKNPHXJNPA-IERDGZPVSA-N 429.546 2.114 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1722295558 XEZCGRVGRINNQZ-HNNXBMFYSA-N 429.484 2.102 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CC(F)(F)F 1722353711 ZHNGVDGCNOZGHZ-UHFFFAOYSA-N 436.486 2.016 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)c2ccco2)CC1 1722439089 NYGOFYUMQQLTRC-DEOSSOPVSA-N 435.528 2.133 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1722461109 CDFAOKQTLQUCRD-LJQANCHMSA-N 443.548 2.484 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1722632187 KQCJGGVCNKTSBE-UHFFFAOYSA-N 426.546 2.455 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCS1(=O)=O 1722679007 KSNWULBJQJAOHM-GOSISDBHSA-N 449.533 2.459 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCCCC2)CCOC1 1722864240 PVXXMQVLVLJSJO-PGRDOPGGSA-N 432.569 2.317 30 10 IEEE CC(C)=CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723050388 KPPQULMVXFYZOL-OAHLLOKOSA-N 442.545 2.071 30 10 IEEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1728736256 BJFBWXZJBZCZLO-WOJBJXKFSA-N 437.548 2.482 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC(F)(F)F 1729068759 BVCZVEHFHQXZPO-UHFFFAOYSA-N 439.442 2.334 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1729161686 HLZWSNUCVFNYDX-FQEVSTJZSA-N 437.504 2.077 30 10 IEEE CO[C@@H](CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1729860406 XDYAFYSWIPAWHG-KGLIPLIRSA-N 430.456 2.330 30 10 IEEE COC1(C(F)(F)Cn2c(-c3cnccn3)nnc2N2CCC(C#N)CC2)CCOCC1 1729907761 JWWJSLXFBZPQCP-UHFFFAOYSA-N 433.463 2.306 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@@](C)=O)cc1 1740548156 DOQVYTXNZQGQHO-LHEBDHONSA-N 439.541 2.391 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1740564918 CHYUAMDTDQYBRJ-UHFFFAOYSA-N 428.537 2.221 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740594416 LQMOPOAMSYTQRW-UHFFFAOYSA-N 440.592 2.433 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1740600154 JIXVPZFLKFYMOZ-QMHKHESXSA-N 426.517 2.380 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cn(C2COC2)nn1 1740605590 USHCCSVFOGPXJP-UHFFFAOYSA-N 437.504 2.021 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1740715401 YMOFLHILFNEJBB-HKUYNNGSSA-N 442.589 2.074 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740744772 XWYBPONOUFFWET-SJORKVTESA-N 440.386 2.239 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740750107 LTUBGZNHBNMNFL-NSHGMRRFSA-N 446.596 2.283 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740763622 NQLIFOKAYHIFDV-DAYGRLMNSA-N 443.470 2.149 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740793461 JQWJVOJOWXYOQM-FPOVZHCZSA-N 426.565 2.014 30 10 IEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1740808939 CWCXQPMMNTVTFW-UHFFFAOYSA-N 427.896 2.451 30 10 IEEE CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1741420089 IZELXVSSQMDFFX-QVKFZJNVSA-N 431.516 2.424 30 10 IEEE CO[C@@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(F)cc1 1748419425 AYCPLTJFESWWGM-FQEVSTJZSA-N 438.511 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2F)C1 1748888365 UPKFEXXQGYVFCI-UYAOXDASSA-N 434.519 2.358 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1748945368 RIEIOQQRKHWYFP-GOSISDBHSA-N 446.548 2.264 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2([S@](C)=O)CC2)CC1 1748978121 NIPNTEQPUUMAFZ-INZIPBBXSA-N 445.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2)CC1 1748994644 LRHGUEHJDJMSHN-KRWDZBQOSA-N 444.630 2.311 30 10 IEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749103518 AKACIWXKBHJXIR-BBRMVZONSA-N 448.321 2.366 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1749127650 NNTBVUMCYFAMMU-IEBWSBKVSA-N 425.537 2.091 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749230019 SRUXFEHVFGETDP-PMACEKPBSA-N 430.553 2.175 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749456800 AWESPIFBJXSKMO-UHFFFAOYSA-N 434.585 2.034 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCC2(F)F)C1 1749697591 LGUPMSDQMXFEJV-ARFHVFGLSA-N 447.552 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1749735214 POJFIUZUWPFUQP-UHFFFAOYSA-N 449.533 2.397 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 1749888312 GZHQWZVXXOZRCV-KRWDZBQOSA-N 443.983 2.425 30 10 IEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1750175558 DZYHQGRLNYZAIS-KNQAVFIVSA-N 442.589 2.391 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1751277823 OVXHGYZZXFPYPN-BTYIYWSLSA-N 431.541 2.274 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1751714827 PRJNORYBHNPZSA-UHFFFAOYSA-N 432.488 2.038 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCCOC(F)F)CC2)c1C#N 1751827957 POEXFNQEENIGLU-UHFFFAOYSA-N 436.511 2.445 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760185148 QODHTKXRBJFSPS-AEFFLSMTSA-N 445.564 2.194 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1760253695 UXPMQYMJSJYLGZ-UAFMIMERSA-N 434.581 2.334 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1 1760264487 PXEOFBSMNNWCBQ-UHFFFAOYSA-N 448.449 2.410 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCCN1CCOCC1 1760290480 GZDGSTBITWHVBV-RPWUZVMVSA-N 445.608 2.423 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760313102 JAHHAFHKVJMTAG-QRFRQXIXSA-N 446.596 2.235 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1762915109 HRUSCUJNKUIVJT-FXAWDEMLSA-N 442.589 2.172 30 10 IEEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1766135093 MYTJAYFVZUSBMC-LJQANCHMSA-N 449.559 2.180 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC(C)C)CC1 1769346096 OZQWHWFOBSRKQH-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1772660249 OKJAXLSMPQPXDJ-PMACEKPBSA-N 441.557 2.423 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)ON2C(=O)c3ccccc3C2=O)CCC2(CC1)OCCO2 1772788320 ZMEQUCAEZCQFHK-UHFFFAOYSA-N 446.456 2.321 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)c2ccccc2C(=O)N2CCN(C)CC2)c1C#N 1851236269 LTIBHAHINMVUEJ-UHFFFAOYSA-N 434.422 2.265 30 10 IEEE COc1c(Cl)ccnc1CN(C)CC(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852158143 XEQPJLCVSBGAOM-UHFFFAOYSA-N 442.847 2.046 30 10 IEEE CN(C)C(=O)C1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1856560191 NVBRRQQJJHQYGU-MRXNPFEDSA-N 430.936 2.195 30 10 IEEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863610388 NCGPIWDZQOCWJH-UHFFFAOYSA-N 439.537 2.049 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 1992855928 GOAWGUFYZAZWFE-OWCLPIDISA-N 427.542 2.190 30 10 IEEE C=CCN(CC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1)C(=O)OC(C)(C)C 2214638676 ZGQBMVYBECFPCE-IXDOHACOSA-N 439.553 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2224074002 OYXRWNLPORJWDC-SJORKVTESA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)[C@H](N)C#Cc2ccccc2Br)C1 2227476038 OAKMRDPKBCUUBT-ZACQAIPSSA-N 425.323 2.125 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237392643 JWHXIILAUPOJKF-JXFKEZNVSA-N 437.334 2.482 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2247920632 AQYVWBQMCYDMBX-MPBGBICISA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247922729 MMYSHYUGMWXKQX-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598709 YLPDWSUVDVYMKD-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608998 DDIYJIRURQHBNV-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255616198 YGCHCKPSIGMBFD-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2255698425 IQDFOXJJQJFZQG-UHFFFAOYSA-N 432.326 2.009 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255698759 KMFOYZIRTFALKI-RHSMWYFYSA-N 431.342 2.414 30 10 IEEE CCn1cc(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815992 XJOPSTIHGYVFPB-KGLIPLIRSA-N 436.362 2.234 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001803 PUCMZLVYVUWSKM-CQSZACIVSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2267004809 IOLQTZIEOQZALI-DLBZAZTESA-N 449.332 2.458 30 10 IEEE Cn1ncc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267009540 OSSRSRQEADTWIF-QUCCMNQESA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2267519623 JLNPZKKCCVLGFW-LSDHHAIUSA-N 446.357 2.038 30 10 IEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267553162 XWYLVOMMSKUZND-QFIPXVFZSA-N 448.373 2.445 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2322311812 YAEJTAGOQFFNPF-UHFFFAOYSA-N 433.293 2.046 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263092 IUTFQBRQLMVUPV-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2337295047 URFAXEHTTXKXRP-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE COc1cc(/C=N/NC(=S)NCCN2CCOCC2)ccc1OCc1ccccc1 20786307 AHVWUHPBNWRKCN-LFVJCYFKSA-N 428.558 2.404 30 10 IEEE COc1ccc(OC)c(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)c1 20837354 WHYRSOLZUVHKRW-REZTVBANSA-N 434.507 2.159 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)CC1 22812993 LQOLQJDPUUUKRT-QFIPXVFZSA-N 430.549 2.013 30 10 IEEE Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)c1 59884611 HUECZZVGLNFXCR-KEBDBYFISA-N 426.462 2.385 30 10 IEEE C=CCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCN(c3ncccn3)CC2)C1=O 170084058 MCLPKZDVBDBMSM-UHFFFAOYSA-N 433.512 2.352 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)cc1O 170111978 LSCUTBHOFPOZNP-FQEVSTJZSA-N 440.452 2.269 30 10 IEEE COCCNC(=O)c1c(N)n(N=Cc2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc12 254866279 DBVCMOZHNRVNDC-UHFFFAOYSA-N 433.428 2.333 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCN1CCN(c2cccc(Cl)c2)CC1 301392461 IBNDBZZQMZVKTP-UHFFFAOYSA-N 433.965 2.483 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CC23CCC(CC2)CC3)CC1 432191535 JBLXOHFJKWOGPF-UHFFFAOYSA-N 437.587 2.165 30 10 IEEE N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(-n3cc(Br)cn3)nn2)n1 464647005 ZZGLSNATBYKKLH-UHFFFAOYSA-N 436.233 2.129 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCN(c2ccccc2)CC1 473291256 KEDAWYHORPOQHD-KRWDZBQOSA-N 426.542 2.258 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCO1 479376948 ABTZSGDEDNYKRQ-KRWDZBQOSA-N 441.553 2.001 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)c(OC)c1OC 489080888 UJBYKSCLQSGKMD-UHFFFAOYSA-N 449.504 2.230 30 10 IEEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 507523417 AGZNSLLCOKJDJI-RBUKOAKNSA-N 444.557 2.383 30 10 IEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508958888 CIFGNHZIZALZRY-KRWDZBQOSA-N 436.520 2.192 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 508960021 IEUKXUVRXUSADW-RBUKOAKNSA-N 431.562 2.099 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCCO2)c1=O 530317860 ZVROABYKOGOOFD-SFHVURJKSA-N 440.569 2.129 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CCN(C4CC4)C3)nnc12 531893937 SRZVUEQKZHZVHW-INIZCTEOSA-N 438.557 2.017 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4COCCO4)n3Cc3ccccc3)CC2)n1 549160989 MOLVEDBLOYGWAZ-FQEVSTJZSA-N 431.500 2.008 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@H]1CCCO1 553292277 KMYFENNNFNZIJU-QGZVFWFLSA-N 433.533 2.365 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 558640407 OQHJLKORVYPGMR-IBGZPJMESA-N 439.560 2.186 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N(CCO)Cc1ccc(Br)s1 568568082 FLKRGSFOLOWUEL-ZDUSSCGKSA-N 429.340 2.375 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 575818031 WSUCOJPSCMJBTJ-GOSISDBHSA-N 442.545 2.027 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 615228932 ZGLRQLJWIOKLKI-IRXDYDNUSA-N 444.557 2.090 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 642708331 MUFALBWEYCAGEO-UHFFFAOYSA-N 425.541 2.120 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)c1 744628119 IXMYFZREJDUXSM-AZUAARDMSA-N 432.542 2.182 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cnc1Cl 749862332 PCNRHPLTAOHUOQ-CQSZACIVSA-N 443.956 2.175 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@H]2CCOC2)C1 752848071 HHFJMCQNGIYVRE-UTKZUKDTSA-N 428.468 2.183 30 10 IEEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2ccc(C(F)(F)F)cc2C#N)C1 758120478 NTNUZESSAWYIJG-MRXNPFEDSA-N 427.423 2.207 30 10 IEEE N#Cc1ccc(CNC(=O)COC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)cc1 768046953 QMMXEEZAFGLOKF-UHFFFAOYSA-N 446.332 2.177 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CCN1C1CC1 778611358 GVHHBWDUNUYHOZ-QZTJIDSGSA-N 446.935 2.425 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 782758747 IBJROMMPPOPOPQ-LSBZLQRGSA-N 443.491 2.071 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CC[C@@H](OC)C(F)(F)F)C1=O 786688130 NWZUIUAZLWCVHM-NWDGAFQWSA-N 434.440 2.125 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 794894527 YSMWLSMFEVUWSQ-UHOSZYNNSA-N 436.892 2.094 30 10 IEEE COCCNC(=O)c1c(NC(=O)COC(=O)c2ccnc(C#N)c2)sc2c1CCCC2 795976246 MAAZTXMSZJBBDI-UHFFFAOYSA-N 442.497 2.065 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCc3ccccc3S(=O)(=O)N3CCOCC3)CC2)c1 802833871 YZFQUDABNDOLKJ-UHFFFAOYSA-N 444.484 2.493 30 10 IEEE CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 804651131 IEFZHNDJGXRNLT-SGRLSNSRSA-N 432.521 2.153 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@](C)(CO)c2ccc(O)cc2)c1 808819092 HLRWYVXBJGSRJH-WGHBEHPSSA-N 446.529 2.234 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)c1nc(S(C)(=O)=O)ncc1C 1127024969 PXHLBFVJHYWGDB-UHFFFAOYSA-N 426.248 2.051 30 10 IEEE C=CCN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)[C@H](Cc1ccccc1)C(=O)OCC 1128110926 GSZWCIVINZBCAD-TZIWHRDSSA-N 438.528 2.352 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1140627053 OFMROIAYLYWIBN-GFCCVEGCSA-N 437.345 2.071 30 10 IEEE Cc1ccc(C(=O)NCc2cc(F)ccc2OC(F)F)cc1S(=O)(=O)NCC#N 1148957052 PJRXHVJLODMEHG-UHFFFAOYSA-N 427.404 2.467 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 1154958841 KNZPBWXYROEFGA-QFIPXVFZSA-N 437.565 2.261 30 10 IEEE CCCC[C@@H]1NC(=O)N(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1=O 1189416687 WYWQMNQBBJXFKU-YJBOKZPZSA-N 441.532 2.467 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)C(=O)Nc2ccc(C#N)cc2I)C1 1209247704 SCKZCRBGEKYWQM-ZDUSSCGKSA-N 426.258 2.495 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1253778691 AIXAHCDJPFXFJM-INIZCTEOSA-N 440.541 2.439 30 10 IEEE CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](Cc2ccccc2)C1 1278302940 CYXXWVQOPXHCAO-FGZHOGPDSA-N 445.523 2.149 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286278957 IKGPGKDJYHUDSP-CECAUBDESA-N 444.557 2.145 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1286388877 WJOZHTQNZWHHSQ-KRWDZBQOSA-N 444.557 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)c1ccccc1 1286424008 SLTSYRWQTZHRNJ-UHFFFAOYSA-N 437.525 2.288 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286612055 VDLWBMXGBAAKIX-FXAWDEMLSA-N 446.621 2.383 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccc(Cl)cc1 1286778602 HSKFPDMZIVICCD-UHFFFAOYSA-N 430.940 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CCC)C1 1286823007 QOLPHPASZSGLGO-QGZVFWFLSA-N 439.607 2.240 30 10 IEEE Cc1cc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)nn1-c1cccc(C#N)c1 1288798896 APDRPTOIQZUTPK-UHFFFAOYSA-N 429.546 2.423 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccco1 1300284092 PJGOLHKHNGHWDR-QVKFZJNVSA-N 428.514 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)CN(C)C 1300528000 NVKKOQIYLAOJMF-UHFFFAOYSA-N 445.571 2.336 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC12CCOCC2 1300652985 GSXGXKWNDVLGPP-XXBNENTESA-N 432.565 2.221 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC[S@](=O)C(C)(C)C 1300673470 LOHIAIIWAAGWCN-HKBQPEDESA-N 442.589 2.150 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1300759182 HICVFIXSQYYTII-SFHVURJKSA-N 429.546 2.257 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300823820 KCYVEVOUTINRFH-PBHICJAKSA-N 439.402 2.299 30 10 IEEE C=CCCOCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1301259046 FOVBOPGNIOVNCK-LJQANCHMSA-N 432.613 2.301 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc2c1OCCCO2 1301413346 TZYZGWZKUDXSBH-UHFFFAOYSA-N 429.521 2.265 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2)CC1 1301585544 MVYWKVRKSZBIMY-IBGZPJMESA-N 443.573 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccnc1 1301596398 NLBNITHTPYOOIB-HNNXBMFYSA-N 435.460 2.461 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1301624266 SYXXQQMNQWIQQH-NQIIRXRSSA-N 432.594 2.026 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cc1C 1304378239 ASUPTXOBNUCBKZ-VXKWHMMOSA-N 442.495 2.395 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1304695891 KBNRWYYCWGLMMV-CJNGLKHVSA-N 441.875 2.199 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1313619191 JYUWAZNAUHAPDD-QGZVFWFLSA-N 449.602 2.495 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1353570724 HZAQXRSNNWDYFD-UNMCSNQZSA-N 435.528 2.288 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1358937189 LNUYJKXHMWOYIA-ROUUACIJSA-N 446.621 2.419 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)COc2ccccc2OC)CC1 1359036112 NHJQIFOBDSRXFB-PMACEKPBSA-N 439.560 2.261 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1359064513 UUCHRQSFDYSINA-CKJXQJPGSA-N 449.552 2.487 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@]1(OC(C)C)CCOC1 1359137228 JMRSRGDQMHOINL-AVRDEDQJSA-N 445.568 2.381 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359200681 NEZDREJOYSZOAE-QFIPXVFZSA-N 425.537 2.454 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1359217263 UJNXDJHRAHFJBB-DLBZAZTESA-N 448.568 2.254 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cs2)CC1 1359346025 YMHVQJGUXLUIIF-UHFFFAOYSA-N 447.634 2.411 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C(C)C 1465138509 FOFIJRQXCPVMBI-SFHVURJKSA-N 434.562 2.087 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CCC2)CC1 1471132118 JJGOFXWHURLARW-SFHVURJKSA-N 432.565 2.117 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1474349844 AGHMTMCVIBXFPB-PGRDOPGGSA-N 446.573 2.122 30 10 IEEE Cc1nnc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)s1 1492764726 NFSDZTUMOUPEHV-IBGZPJMESA-N 441.496 2.160 30 10 IEEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1501964853 HGIYCQNICUDDES-NQIIRXRSSA-N 426.565 2.382 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1c(C)noc1C 1504996396 WJPNQCNMOAPZDH-PKOBYXMFSA-N 443.552 2.026 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCCn2ccnn2)CCO1 1505322562 QKEZVGNKBRVLOR-CQSZACIVSA-N 443.309 2.118 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1-n1cccn1 1507514711 SMTSQYHCQQXHNG-MRXNPFEDSA-N 427.472 2.012 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1507552500 PJNZFOBLGJSGJF-UHFFFAOYSA-N 442.593 2.194 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1507634814 NNAGZKGRJAPAIO-IBGZPJMESA-N 428.558 2.109 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507710174 KXVLTDGGWLFGCK-SFHVURJKSA-N 443.552 2.370 30 10 IEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1507750464 WBJGEXMKANKRNZ-UHFFFAOYSA-N 437.573 2.265 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1507800467 VRBVUVWITHAHMQ-FHWLQOOXSA-N 433.553 2.432 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC)C1 1507839917 HXAUEKVRUGIAED-SFHVURJKSA-N 430.505 2.161 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)S[C@H](C)C1 1508078974 LZCDCCSGLJIRMA-HUUCEWRRSA-N 429.546 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCOC(C)(C)C1 1508144302 TXYZHRYFZJERCZ-UHFFFAOYSA-N 434.562 2.116 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(C(N)=O)c2)cs1 1511530267 NTCVIVJOEXAYBO-FQEVSTJZSA-N 425.493 2.223 30 10 IEEE CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1514156964 MXRJJJZVFDVAHR-YSRXLGAZSA-N 428.537 2.466 30 10 IEEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1517868050 VXULYPDERLWUCC-JOCHJYFZSA-N 442.495 2.182 30 10 IEEE C[C@@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1524445292 TZTWZCTXNOXQAM-NSHDSACASA-N 434.743 2.485 30 10 IEEE C#C[C@H](NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccccc1 1529727877 CZHYQAAPJZXMRL-SFHVURJKSA-N 445.497 2.495 30 10 IEEE N#C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1cccc(Br)c1 1537417811 BIHNDJVGNAVITJ-HOTGVXAUSA-N 427.258 2.271 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1538974016 QRNQDISMUGQLPE-CHWSQXEVSA-N 425.942 2.057 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1539179800 RTUPSTRLMLDQRE-VAMGGRTRSA-N 428.558 2.418 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccc(C)cc1 1539186002 ASBYWHHRYVXIDN-UHFFFAOYSA-N 427.512 2.324 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539210418 DXEVMLGCTJZUBI-IRXDYDNUSA-N 432.521 2.138 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1539346219 CLAKRNQLRBENDQ-ZDUSSCGKSA-N 440.367 2.320 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@](C)(O)C2CC2)CC1 1539462582 XLVQQFKJTNQCBT-DEOSSOPVSA-N 439.560 2.172 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(CCOC)C(=O)C1 1539603057 IRYLIHZBRBJJGA-UHFFFAOYSA-N 440.367 2.134 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539626008 AKFCOKQZQKAUSY-BJLQDIEVSA-N 441.580 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnccc2OC)C1 1540882923 QOIMEECOTAFEAQ-QGZVFWFLSA-N 435.488 2.159 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1543860528 ONDZGZIDQGZGQE-RNODOKPDSA-N 431.541 2.488 30 10 IEEE CCOCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1548239595 ZCTJMNOFZUBTIU-LJQANCHMSA-N 425.537 2.192 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCCC[C@@H]1C 1555753122 JWAWDDNKMGKLDJ-TUFLPTIASA-N 446.596 2.385 30 10 IEEE Cc1c(Br)cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(=O)n1C 1558465287 BBDASSCDXPZBHN-AWEZNQCLSA-N 430.306 2.440 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1559982016 GFAFDQKNKHNBDZ-INIZCTEOSA-N 441.409 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1565312266 NPVZZCYHKYNVFU-NRFANRHFSA-N 449.577 2.477 30 10 IEEE CCOC(=O)[C@H](Cc1ccncc1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566218235 CULPCTVFVMJDJC-IBGZPJMESA-N 429.517 2.323 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCOCC(F)F)c1 1587693392 RXTDFLLTLIQRIH-MRXNPFEDSA-N 433.459 2.120 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1587759120 OVZCBEKLXRKDCV-MRXNPFEDSA-N 442.593 2.163 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1587793262 KVUAKHXDJJIQPY-QHCPKHFHSA-N 444.580 2.072 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1587851275 GTHAKPARKHESKU-OAQYLSRUSA-N 436.560 2.364 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1588064633 MBMLXLQUDFEYGX-IBGZPJMESA-N 427.574 2.471 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588073764 DHSSHOBMULHWGV-ZBFHGGJFSA-N 437.591 2.010 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccncc1 1588128955 VUPKMOZWURGEDX-UHFFFAOYSA-N 437.507 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1C 1588194560 XJAUWHFJGUHZIZ-UYAOXDASSA-N 440.569 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588214774 YWXDXNRODURCHW-SFTDATJTSA-N 446.534 2.149 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1occc1C 1589135426 ZMLLALGPGJKTQS-HSZRJFAPSA-N 438.532 2.228 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593683239 JTIAXVRFUBAOCF-JOCHJYFZSA-N 432.569 2.233 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1594003899 LNEBCUAAIRMTIM-IRXDYDNUSA-N 440.976 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1595777452 MYLRYOJGYQYWER-QZTJIDSGSA-N 442.589 2.336 30 10 IEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1595860117 HFCMHKPLZJWDGD-UHFFFAOYSA-N 444.605 2.083 30 10 IEEE C#CCN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2)C1CCN(C(=O)OC(C)(C)C)CC1 1596147402 SMARMIDMGKSABG-BHIYHBOVSA-N 431.533 2.491 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1596428863 BBLGKRDZTLYSLW-KKIUXKEOSA-N 440.573 2.223 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCc3nccn3C2)CCOC1 1596791301 QLUSPBLZZYCFCG-HMFYCAOWSA-N 427.553 2.374 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1597950444 NMBDPAABXPSODP-HNNXBMFYSA-N 432.448 2.297 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOCC(F)F 1609509568 UKDXTLURMLHYGC-KRWDZBQOSA-N 448.474 2.148 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1611308743 TVDSYLPIMRPUIZ-CQSZACIVSA-N 432.475 2.168 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 1614222498 COOVKMCITOQAIS-CRAIPNDOSA-N 429.546 2.398 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1617213798 HZYMMIZGIWCYIH-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE COCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1619834913 REBXSCMXENTTIA-UHFFFAOYSA-N 440.552 2.024 30 10 IEEE CN(C)CCSc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1 1629506389 JFGOXRKQURNGRM-HNNXBMFYSA-N 439.607 2.311 30 10 IEEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1630759946 LMVPSLBMMHPJLR-LBPRGKRZSA-N 425.836 2.134 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1631312461 QPDYZMBDDCHQCY-SFHVURJKSA-N 433.530 2.110 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)c1 1632720530 VORNTAPCXGKAPJ-HXUWFJFHSA-N 445.610 2.264 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1633708198 PGWNHFOJARWIFE-XXBNENTESA-N 430.549 2.485 30 10 IEEE COc1cc(Br)ccc1OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1637203996 OLFZVDPRCBZVBZ-UHFFFAOYSA-N 425.260 2.213 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)s1 1640916058 IWQNXMQFQZQHIW-MSOLQXFVSA-N 433.555 2.273 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(F)F)CC1 1642445434 IEYSWTYWSDRBGA-LSDHHAIUSA-N 429.489 2.022 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)CC1 1643512381 AUCXQOCTMYNMIP-UHFFFAOYSA-N 444.509 2.192 30 10 IEEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c(C)c(C)c1C 1644133901 RBIAXPRSDSDBOA-UHFFFAOYSA-N 425.485 2.340 30 10 IEEE N#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(F)(F)F 1645009950 LAARLNJGKVXBGA-RISCZKNCSA-N 439.843 2.372 30 10 IEEE Cc1cc2c(N3CC(NC(=O)Cc4ccc(Br)cc4C#N)C3)nccn2n1 1648090010 VLRQQZDSYGUSKA-UHFFFAOYSA-N 425.290 2.219 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC(Cc2ccc(Br)cc2)C1)c1cc[nH]n1 1648174424 QXBWCDVOQCJBED-UHFFFAOYSA-N 449.305 2.157 30 10 IEEE C=C(Cl)C[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1648779044 FDFYCHARLSGGOQ-YXBWYFRISA-N 449.935 2.091 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cscc4C#N)C3)[C@@H]2C1 1650818663 FFJJEEYSRRHGGH-IMJJTQAJSA-N 432.502 2.274 30 10 IEEE C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2C#N)CC1 1654542770 CKGNNRPMCCQDDM-KRWDZBQOSA-N 438.503 2.338 30 10 IEEE N#Cc1cn(CC(=O)Nc2ccccc2N2CCCC2=O)nc1I 1656672521 PQKDFAGUCCDFDJ-UHFFFAOYSA-N 435.225 2.125 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1C 1665144926 IDHCDIHWANPCIH-UHFFFAOYSA-N 431.493 2.268 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)cn1 1665326392 FCZSIACTBNACTN-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C(=O)N(C)Cc3ccccc32)cc1 1665970258 YHLLROPZSFLDFM-LJQANCHMSA-N 428.514 2.328 30 10 IEEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NCCc3ccc(C#N)cc3)cc2)CC1 1668799140 AQMSZVPVXPVVSH-UHFFFAOYSA-N 434.544 2.133 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCN1C(=O)OC(C)(C)C 1674525451 PKYUGIBVULIVCU-SOLBZPMBSA-N 443.552 2.356 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C1)C2 1683590618 RKEVUWMZLGNIMJ-PMACEKPBSA-N 442.516 2.317 30 10 IEEE C#CCCCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1689905874 CUSOHVQAZFACGJ-GBXCKJPGSA-N 445.608 2.423 30 10 IEEE C#CCCCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1689907128 ZZKIZGPKDHHLHL-LJQANCHMSA-N 429.487 2.418 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1690102774 UXQCUHDGYWNAAJ-IBGZPJMESA-N 432.546 2.058 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCOCC1 1690187932 AQGRYDNYIBYZTP-XMMPIXPASA-N 436.560 2.293 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690254558 CRNZNMWOXBEHHA-MRXNPFEDSA-N 446.518 2.472 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@H]1CC 1690299489 UBYWRESZGSZNHE-LJQANCHMSA-N 440.548 2.455 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690310048 RNBJVMOHKGCFSG-QZTJIDSGSA-N 446.596 2.201 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690480335 FRVUDNXKWJHVFQ-IRXDYDNUSA-N 448.593 2.445 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1690609760 YZFFXKVRXBNVFB-ZWKOTPCHSA-N 434.562 2.435 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)C(C)(C)C)C1 1690709450 HODVAIACTDJGPO-GOSISDBHSA-N 433.578 2.259 30 10 IEEE CCOCc1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1696264874 KPZBOFXNQXPXSU-ZVDNPCSMSA-N 428.537 2.500 30 10 IEEE CN(CCC(F)(F)F)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1696775961 YTPZDGPTBPLDIW-ZCXUNETKSA-N 449.437 2.179 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705579564 NCRZURPTTPVPDS-SFHVURJKSA-N 434.466 2.010 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1705581845 MGSLISWEUQSXKI-DEOSSOPVSA-N 446.599 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCS1(=O)=O 1705599330 LDGBZFWDGJPVBO-FQEVSTJZSA-N 428.533 2.438 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC[C@H](CO)O1 1705624088 PRVPRJDCTAEYNC-DLBZAZTESA-N 434.924 2.233 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(C)CN(C)C1=O 1705630400 RXIHJMPHBLFWNX-HSZRJFAPSA-N 425.533 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC)cc2)CC1 1705652579 FLDXJXDAQMSNEO-OAQYLSRUSA-N 437.544 2.347 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1705669287 IHBXMYSKJQKBGA-PKTZIBPZSA-N 431.581 2.033 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(N(C)C)cc2)CC1 1705762612 DJYDWEUOXDMKSY-QGZVFWFLSA-N 432.594 2.353 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)N(C)C)CC1 1705771707 CBSCVOCVOBWDRP-IAGOWNOFSA-N 425.599 2.245 30 10 IEEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705810343 VPAHUCAYATXBPU-GCJKJVERSA-N 432.569 2.231 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCO[C@@H]1C 1705857108 PQJNZFGFBWBHPJ-HXOBKFHXSA-N 436.516 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705936691 WOQUQHXEUATDFF-SJORKVTESA-N 426.583 2.024 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1706144131 DYDSCJRDTPDXJT-KRWDZBQOSA-N 431.562 2.459 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1712457056 ZVHZUCKGICKIGS-IBGZPJMESA-N 441.532 2.459 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCCC1=O 1712633252 PFYGCGSNYWKHNA-ICSRJNTNSA-N 430.553 2.145 30 10 IEEE CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1712754145 YCJBGDBCZVBURN-KRWDZBQOSA-N 444.517 2.494 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1722311069 SJYQJQJVDMWLBE-IBGZPJMESA-N 443.573 2.257 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CC1 1722435455 IOTAMLKKSFKGMC-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1722499803 FDVSNCIRFBPNSA-JOCHJYFZSA-N 435.569 2.003 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722624280 YZEZNNMCAKSZPK-SFHVURJKSA-N 426.477 2.257 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722702650 OKFZTYRSXZHDFT-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1722867762 HVRDFOMIQJJQJA-VQIMIIECSA-N 427.505 2.318 30 10 IEEE CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1722973854 DGOFSJTXLLGUFX-UHFFFAOYSA-N 448.531 2.407 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1723053945 ATCHMGPBYMLXPI-UHFFFAOYSA-N 432.532 2.293 30 10 IEEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1729235555 MUARBSDIPYHTFS-ADSBAMQRSA-N 431.562 2.217 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCCC1(C)C 1730868212 HYYVWBVNHJNIDO-LYHRCORUSA-N 446.596 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1ccccc1F 1740531680 QKLXCNVZZHJATO-HNNXBMFYSA-N 428.512 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1740629173 DLIFPJNKJOUONO-GOSISDBHSA-N 442.564 2.090 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](OCCOC)C1 1740747845 YDFYYEHYTKZWPJ-MRXNPFEDSA-N 439.358 2.290 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1740770217 KNDYHDDAOOXGDG-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740790662 USRDEPGWULDRST-HSZRJFAPSA-N 441.532 2.414 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740877880 CQVWRPRKDCBTIB-UHFFFAOYSA-N 443.621 2.344 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1740926410 WWKGQXQOQMFZGX-UHFFFAOYSA-N 432.550 2.317 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1740941761 RYYYJBHRSBTXPW-LVCYWYKZSA-N 438.594 2.024 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740963667 SXCSLHMXEKFFOJ-LJQANCHMSA-N 438.532 2.282 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1C(F)(F)C12CCC2 1741919574 CFKQHWLNIXEAOO-KGLIPLIRSA-N 442.536 2.454 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1747420082 VWPJJPPHNWUMQZ-QFBILLFUSA-N 447.561 2.025 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1748687077 BGMATAJRKNRBKD-WBVHZDCISA-N 430.553 2.334 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@](C)(O)c2ccco2)c1 1748695213 ZXOFHJODJOTEJB-QHCPKHFHSA-N 437.500 2.372 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1748752425 WTUMBWNMRPIPTE-VQIMIIECSA-N 432.546 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748809353 LLNWONXQBNNONV-MOPGFXCFSA-N 428.558 2.307 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748818454 BRRRLGPXSLDKHE-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCc2ccccc21 1748864208 SVNTUSBVXQUOHH-AZUAARDMSA-N 439.585 2.471 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCCCC1 1748960957 SGUQDUSNRQATLO-FQEVSTJZSA-N 436.560 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(CC)C2CC2)CC1 1749006464 OJXQKLGLNWABBQ-UHFFFAOYSA-N 445.571 2.267 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(=O)N(C)C)CCCC2)CC1 1749348166 LKKLFTXTOYMTAV-UHFFFAOYSA-N 428.581 2.452 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1749462918 JARLVSOREYZEQZ-UHFFFAOYSA-N 426.502 2.465 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1749467642 WEQKGGBZASIVMU-HSZRJFAPSA-N 427.549 2.497 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)s2)C1 1749699085 ZEOQCWATQMCVFT-QWHCGFSZSA-N 445.998 2.433 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCCS2)cc1 1750384538 DGCMCJUHXHPIEA-SFHVURJKSA-N 447.586 2.249 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)Nc1c(C)cccc1C 1760196847 SSHANRDDPAOWRJ-DEOSSOPVSA-N 435.528 2.259 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1 1760242875 QVAPIJVJBSZPEE-LJQANCHMSA-N 439.564 2.132 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1760252070 BSOOVNILDMZCAC-UHFFFAOYSA-N 441.923 2.183 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NCCC)CC1 1760254876 NYPRULMUDAWJDL-UHFFFAOYSA-N 431.544 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1760298255 ZOIRRMDADMNIBF-JOCHJYFZSA-N 437.479 2.141 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1760387581 PXHYMAZUGWUMGU-HOTGVXAUSA-N 442.486 2.039 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C(C)C 1760553977 NRYMKVNIHMEFDU-UHFFFAOYSA-N 444.561 2.028 30 10 IEEE CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1762155239 GSKYBGDFPKSCMN-ICSRJNTNSA-N 445.612 2.247 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(F)c2F)CCOC1 1765921792 HPURVRJTJADYEC-HRAATJIYSA-N 433.459 2.180 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC[C@H](F)C1 1767930729 FXLVFARSCMSQPQ-IRXDYDNUSA-N 430.532 2.193 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CCCO1 1768997475 JSUOWXQPHDNLEU-KSSFIOAISA-N 435.326 2.344 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C1 1770110461 SXWPRETZVMPZHX-LJQANCHMSA-N 440.548 2.221 30 10 IEEE CSCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1771464917 PQLAHLIMJIGDJO-MRXNPFEDSA-N 435.575 2.221 30 10 IEEE O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)ON1C(=O)c2ccccc2C1=O 1772792762 NHOSGTHSWHXGLZ-UHFFFAOYSA-N 428.466 2.158 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)c1 1849619240 VIXVIVXXBIQRLV-GOSISDBHSA-N 448.479 2.352 30 10 IEEE CCOC(=O)C1CCN(CC(=O)Nc2c(C#N)ncn2-c2ccccc2OCC)CC1 1851457751 CUGXBJCCHWUXJN-UHFFFAOYSA-N 425.489 2.356 30 10 IEEE N#Cc1ncc(C(=O)OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cn1 1852300213 LFEZVMWIHBJVBY-UHFFFAOYSA-N 440.813 2.394 30 10 IEEE CC(=O)N(C)[C@H](C(=O)N1CCN(c2nccc(C#N)n2)CC1)c1c(F)cccc1Cl 1852385226 WCTDKVMHRHSYRX-SFHVURJKSA-N 430.871 2.009 30 10 IEEE CN1c2cc(F)ccc2C(=O)NC12CCN(CCNC(=O)Nc1ccc(C#N)cc1)CC2 1853161613 YHGYPFZVJQNUNT-UHFFFAOYSA-N 436.491 2.491 30 10 IEEE Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1c(-c3ccc(F)cc3)cnc3c(C#N)cnn13)CC2 1853219803 GXNUWWBFYFSSHS-AWEZNQCLSA-N 443.442 2.244 30 10 IEEE NC(=NOCCC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1 1853406531 JIPRVHXYIBNBPA-UHFFFAOYSA-N 430.455 2.367 30 10 IEEE CC(=O)N1CCC[C@@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@@H]2C)C1 1854608990 SAAIBQVVWDSFFX-YJBOKZPZSA-N 430.936 2.337 30 10 IEEE N#Cc1ccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1855618110 IMRFZGVJJNFPAQ-LJQANCHMSA-N 429.542 2.070 30 10 IEEE CN(CC(=O)N1C[C@H](CN2CCC(C#N)CC2)CC1=O)c1nc2c(F)cccc2s1 1855870059 MCPQUBMOQIGVKW-HNNXBMFYSA-N 429.521 2.482 30 10 IEEE COc1cccc2sc(N3CC(C(=O)N4CCN([C@H](C)CCC#N)CC4=O)C3)nc12 1856407828 LNESKUDYGLJBCZ-CQSZACIVSA-N 427.530 2.104 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccccc2)cc1 1858976600 XDRZLQVUZNHCKC-UHFFFAOYSA-N 443.525 2.182 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862609880 XCAPEPWTJCHXCO-ODXCJYRJSA-N 441.436 2.131 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1864947037 OVBRUKPGELDWMF-SFHVURJKSA-N 448.439 2.186 30 10 IEEE COc1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866786 KQQLHZRCXCDNCC-RBUKOAKNSA-N 442.541 2.149 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(Cl)nc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870005081 WHLWCZOWRZVYQY-CQSZACIVSA-N 436.925 2.117 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1Cc1cccnc1 1870474289 APDSHUUWGYSBLP-UHFFFAOYSA-N 427.501 2.034 30 10 IEEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN(CCOC)CCOC)nc1C(F)(F)F 1872799786 KYGNCPPVEHGSRM-NSHDSACASA-N 437.440 2.110 30 10 IEEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873593691 UQMUSIMKMTUMMM-SFHVURJKSA-N 434.544 2.050 30 10 IEEE COc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)cc1O 1874344656 ZEROJNDKTGRHSO-WSDLNYQXSA-N 427.486 2.073 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1O 1874433871 BJXMRRWTXMHHFY-SSDVNMTOSA-N 430.534 2.043 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2ccnc(N(C)C)n2)[C@@H]1c1ccc(C#N)cc1 1889339055 IMJSNMYWLRDKMB-PMACEKPBSA-N 438.557 2.124 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN(C)Cc2ccccc2)c1 1891462321 PNRGZOUTHTXEBM-HSZRJFAPSA-N 439.581 2.400 30 10 IEEE C=CCC1(NC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022844617 WPHGPCDUIVLTEZ-JOCHJYFZSA-N 439.553 2.430 30 10 IEEE C[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2060625543 LJYITWGBTZKWNT-CYBMUJFWSA-N 432.330 2.217 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCN(CC#N)CC2)C1 2060788679 VVNVRUVBSKFYEF-DEOSSOPVSA-N 442.560 2.498 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124524768 WGPUVSCFOXTWNA-MRXNPFEDSA-N 448.325 2.381 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194174975 OBFPUOGLQGYDAE-BDJLRTHQSA-N 446.176 2.430 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N1C[C@H]2CCO[C@@]2(C#N)C1)Cc1ccccc1 2216012114 OZEQZZMMSIVXRG-XXBNENTESA-N 428.533 2.154 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2224073477 MQMPYKDXYXZBBL-NVXWUHKLSA-N 433.358 2.499 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420610 XPARDSBMZWQBLJ-GXTWGEPZSA-N 437.371 2.314 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC2(CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2255597532 JRRLBFAMQPYBBQ-INIZCTEOSA-N 434.342 2.296 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603099 AWEYETDIPLQWJQ-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC[C@@H]1NC(=O)C(F)(F)F 2255708482 KAQBTPXYCPLWSK-RYUDHWBXSA-N 430.232 2.108 30 10 IEEE C[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255846978 UKIJRHJHGYIIIN-WCQYABFASA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255871646 YFGADZAIVGFJMG-MRXNPFEDSA-N 429.326 2.286 30 10 IEEE CN1C[C@H](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](NC(=O)OC(C)(C)C)C1 2256020327 BKMVHBBRWHLONP-MSOLQXFVSA-N 433.358 2.154 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)[C@H]21 2256680559 YTOQFHDUQLLZHJ-BRWVUGGUSA-N 434.342 2.411 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267001813 PWBLBBREENFLSF-IAGOWNOFSA-N 443.353 2.224 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267014459 YZTILHRPDZKWLK-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267095347 MIRQFMPYDIVHNT-HOYKHHGWSA-N 436.365 2.351 30 10 IEEE Cn1cc(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267172169 UJSVYEZZPXQQDB-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CCc1nn(C)c(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267506569 ZUENRUFGFATGHH-UHFFFAOYSA-N 448.373 2.021 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519456 HLEKQYOEWMQDBX-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267544653 XIKQIPFNBOZDIF-HKUYNNGSSA-N 436.365 2.274 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2267570337 AXFQVLNERDAIJX-IYBDPMFKSA-N 445.369 2.263 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267594009 ZAYMZXXPWLMTLK-CABCVRRESA-N 446.357 2.342 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267870087 ADDMCFRTKCZPQJ-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267870839 IWGHLWQCQMYFEY-MJGOQNOKSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2268715058 FPBGQPFDWWOROB-KRWDZBQOSA-N 448.369 2.266 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268792863 VTZZYAJRFMNEMK-SFHVURJKSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2271470271 DNZNBRQUCAMORU-SBUREZEXSA-N 448.369 2.401 30 10 IEEE CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 106274015 IKHZTMHEGPGFSH-OAQYLSRUSA-N 432.590 2.044 30 10 IEEE COc1ccc(CN2C(=NC(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254407681 UFZNPJUDDKYVGL-YOEHRIQHSA-N 426.560 2.347 30 10 IEEE Cn1c(=O)c2c(nc(N=C/C=C\c3ccc([N+](=O)[O-])o3)n2Cc2ccccc2)n(C)c1=O 254625460 YSSAKFBWZDCTLQ-QNDRJEQWSA-N 434.412 2.399 30 10 IEEE C=C1[C@H]2CC[C@@H]3[C@@]45CO[C@@](O)([C@H](OC(C)=O)[C@@H]4C(C)(C)C=CC5=O)[C@@]3(C2)[C@@H]1OC(C)=O 257565519 VIZWMBLJPXPZSQ-GGTUAJKXSA-N 430.497 2.322 30 10 IEEE biogenic CCOC(=O)[C@](C)(NC(=O)c1ncc(C#N)cc1Cl)c1ccc(S(C)(=O)=O)cc1 435970067 HVEXQHGHDGQMBG-LJQANCHMSA-N 435.889 2.218 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 444728616 GGFUZMGZGCKUDF-IIDMSEBBSA-N 430.496 2.092 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 446111147 GTPFGHDQJZOYRV-INIZCTEOSA-N 441.509 2.070 30 10 IEEE CCOc1ccc(C(=O)NCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 461657442 CBHPVGFFSNZCOS-LJQANCHMSA-N 438.509 2.227 30 10 IEEE O=C1C[C@@H](c2ccccc2)N(CC#CCN2CCNC(=O)C[C@@H]2c2ccccc2)CCN1 472584343 WUKZFNYVIGAGQU-PSWAGMNNSA-N 430.552 2.116 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccccc1C 480952990 KZNSIHWFHCAHSK-UHFFFAOYSA-N 439.562 2.307 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 508845531 OBNHPZKQNNKVTE-IBGZPJMESA-N 449.515 2.197 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC=C)CC1 508934944 LOSIJRAKRUSNBX-UHFFFAOYSA-N 431.544 2.412 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 508944472 FBUGZTJSPBHORZ-LJQANCHMSA-N 438.580 2.379 30 10 IEEE N#Cc1cccc(N2CCN(Cc3nnnn3-c3ccccc3Br)CC2)n1 544876644 CCWWFHAMULRYPX-UHFFFAOYSA-N 425.294 2.014 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccc2)c1=O 560425880 ASCIPICKWHIFSC-UHFFFAOYSA-N 432.549 2.067 30 10 IEEE N#CC1CCC(CNC(=O)c2cc(I)ccc2-n2cnnn2)CC1 580990672 FLRXSHDFWNTRNS-UHFFFAOYSA-N 436.257 2.327 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCN2CCCS2(=O)=O)cc1C 608778476 HDYQTCKQCWXAEJ-UHFFFAOYSA-N 429.546 2.236 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618783466 FYAJZWQDIVUNDJ-NRFANRHFSA-N 425.510 2.305 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccc2F)cn1 730143743 DKCKLWCXBBVFRN-GOSISDBHSA-N 446.552 2.242 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCc3cccnc3)c2=O)cn1 735069069 PIRRYGJSGKFCTR-UHFFFAOYSA-N 449.580 2.272 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cc1 746639897 IPCWCJFRORCWBF-LJQANCHMSA-N 425.554 2.335 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(F)ccc2Br)c(=O)n1C[C@H]1CCCO1 761282170 MFEXNTHXUUYJOU-CQSZACIVSA-N 434.290 2.017 30 10 IEEE CC(Cn1cc(Br)ccc1=O)=NNc1ccc(S(=O)(=O)NC(C)C)cn1 761782734 ZBZDQCMIJGJOCM-UHFFFAOYSA-N 442.339 2.181 30 10 IEEE COC(=O)C(C)(C)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 766164759 YWEDFLVLVLLRFU-LJQANCHMSA-N 443.525 2.172 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CCN1C1CC1 769255885 ZBXFDNXODHQNBG-HNNXBMFYSA-N 432.406 2.028 30 10 IEEE N#Cc1ccc(N2CC[C@H](OC(=O)c3cnn4cc(Br)cnc34)C2=O)cc1 769901636 YOQFOFANFDBFKZ-HNNXBMFYSA-N 426.230 2.326 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 771257858 UAJUXPJQRSKYSK-GNCLFBLESA-N 437.566 2.316 30 10 IEEE C#CCN(C(=O)Nc1ccc(F)cc1I)[C@H]1CCS(=O)(=O)C1 774047701 WAHYHYBSKMWUGJ-NSHDSACASA-N 436.246 2.085 30 10 IEEE C=C(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 777462381 AITQSJWVWHZYBF-GOSISDBHSA-N 431.562 2.221 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)Nc3sccc3C#N)CC(=O)N2C(C)(C)C)cn1 796420959 TXGYRFJSKQULLS-YOEHRIQHSA-N 429.502 2.223 30 10 IEEE C#CCC[C@H](O)CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 799074106 ZRPQGVMIVMUXGF-INIZCTEOSA-N 438.908 2.462 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 804190286 TWFYZHMWUIGMJV-OXQOHEQNSA-N 429.583 2.215 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(c2ccccc2F)CC1 804720050 MAUSTYUOWWHNOG-UHFFFAOYSA-N 444.532 2.383 30 10 IEEE COc1ccc(NCc2cc(C#N)ccc2N(C)C)cc1S(=O)(=O)N1CCOCC1 864035986 JECLQZUBGLVJIE-UHFFFAOYSA-N 430.530 2.266 30 10 IEEE CNC(=O)Cn1c(-c2ccc(NS(C)(=O)=O)cc2)csc1=Nc1ccccc1C#N 917647697 LXCZMYFHXDWYHY-UHFFFAOYSA-N 441.538 2.438 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)n2)cc1 1126549172 BGDSJWJNHLWBNH-UHFFFAOYSA-N 431.431 2.454 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1137280384 QDHWNAMIPKFIJM-ATIWLJMLSA-N 431.533 2.159 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)CC1 1137567674 JLDRVPGMOJPYNG-GOSISDBHSA-N 440.500 2.026 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)cc1 1138042155 ACERGIHSYBFNJJ-IBGZPJMESA-N 426.542 2.479 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2COc3ccc(O)cc3O2)nn(-c2ccc(F)cc2)c1N 1141567564 PTZXPCHORRSXSP-FQEVSTJZSA-N 437.431 2.060 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cs1 1142086141 SITZTFYWRDKCTB-UHFFFAOYSA-N 442.545 2.326 30 10 IEEE CC(C)CNC1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1149173042 ZLEXSFCPGXCNBR-FVRICEFQSA-N 448.608 2.372 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(Br)cc1OC)c1cc[nH]n1 1149512656 CUAZBZNOXDVYFN-UHFFFAOYSA-N 425.239 2.103 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1159751507 TXORXGQWUACTEV-RUYXUALKSA-N 438.532 2.474 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)OCC)C2)ccc1F 1177607669 RDIWTBIGKNDLEL-IFXJQAMLSA-N 430.473 2.043 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)cn1C 1189220438 DXVAMVWRNPSNTR-SFHVURJKSA-N 434.514 2.163 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CCO2)cc1 1198218614 HUWVQGNXCONNHB-QFIPXVFZSA-N 435.484 2.189 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1253993787 YJSUKXBZUIEOTR-UHFFFAOYSA-N 449.527 2.460 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1286400543 HVUMIZOZDOJMOO-XMMPIXPASA-N 436.512 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286425792 XQWHGRJTSIJWRI-PMACEKPBSA-N 446.534 2.149 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)C 1286433434 DQGGWAHVLMLMSC-UHFFFAOYSA-N 444.333 2.171 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CC2)CC1 1286488688 QZOLIQJYFWKGGM-UHFFFAOYSA-N 445.365 2.422 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1286549001 VXIOUJUDOQFNCJ-ICSRJNTNSA-N 446.596 2.092 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286605912 ABUPLTBLIDQLBY-CYBMUJFWSA-N 439.442 2.057 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1286638151 VMUFQGUVHAGINH-RCCFBDPRSA-N 425.599 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)CN2CCOCC2)C1 1286812861 UMOMOUMUHXIJIG-YLJYHZDGSA-N 446.621 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286825389 QLMXCLNOSFFRFP-RTBURBONSA-N 437.610 2.043 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)OCC 1287776035 HTNLOQIVBDQSOM-ROUUACIJSA-N 442.965 2.419 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1288526612 WYYBGMNBJMQLRV-CRAIPNDOSA-N 429.546 2.040 30 10 IEEE Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C#N 1288686003 SEUJLPVRIZQGRI-UHFFFAOYSA-N 433.917 2.471 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC2)c(F)c1 1292591710 WIQHSOPTYUGBFO-UHFFFAOYSA-N 436.274 2.478 30 10 IEEE CCc1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)s1 1292795600 GWQIDHDTFAMNSZ-LBPRGKRZSA-N 431.472 2.338 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1295056285 AALHDOZYVZKBSA-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1297695523 HUXNKWZQYICWLG-HNAYVOBHSA-N 429.546 2.255 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1cccc(F)c1 1298572235 BCRKNPUAIXVPOZ-GOSISDBHSA-N 447.532 2.144 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1300411582 UWJZXXYJUSVCAS-FQEVSTJZSA-N 437.544 2.443 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1300487465 JSYXLGLBIKWZGQ-SFHVURJKSA-N 447.605 2.363 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300497768 DEXOFSHWKZFZRW-UYAOXDASSA-N 448.564 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1300529649 OQNBTDJYUJJREV-GOSISDBHSA-N 429.528 2.328 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1300641379 DJCCDBAMLAUEAY-CALCHBBNSA-N 430.553 2.035 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(F)cc1 1300671048 APIJHRGAPFOISF-WMZOPIPTSA-N 434.537 2.209 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnn(CC)c2)CC1 1300691121 OWZZTRLSZRVIRH-UHFFFAOYSA-N 449.559 2.372 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1300746168 QWXAQNXDWRQWFM-OAQYLSRUSA-N 429.546 2.030 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1300788204 UGHWHJVVUSYYEL-FSSWDIPSSA-N 433.622 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1300801692 BTHCJOWLKCLWRE-XMSQKQJNSA-N 443.573 2.054 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC[C@H]1C 1300836947 BADNFPAIPVTPBE-UZLBHIALSA-N 438.532 2.116 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)CC1 1300904248 KBGZSUPSYLRRKH-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)CC1 1301135136 SUUCPIRKGZPLHX-UHFFFAOYSA-N 437.541 2.290 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301150216 OITGWKQELATJBG-UHFFFAOYSA-N 433.582 2.198 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301182980 PAUPASJDNUGALW-QGZVFWFLSA-N 435.598 2.143 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301252463 NQPKJUIMAQJCGA-QGZVFWFLSA-N 448.568 2.315 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1302870461 RBVROHHJPHDPCD-CRAIPNDOSA-N 437.504 2.459 30 10 IEEE CC(C)Cc1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1302933204 IVBIAGHHZQRZNL-MRCUWXFGSA-N 443.596 2.314 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCc2nnc(N3CCCC3)cc2C1 1309697798 BAGZYDBNMFGJNY-UHFFFAOYSA-N 448.346 2.458 30 10 IEEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1313696241 FISKPQIZIJMREB-XMMPIXPASA-N 437.592 2.194 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCOC[C@H]1OC 1314406325 HHUIGCNYDDYTJQ-QHAWAJNXSA-N 441.532 2.316 30 10 IEEE CCOCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314461788 CLLOSVVDNNFFQG-GOSISDBHSA-N 447.547 2.067 30 10 IEEE CN(C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)CCSC1 1314651510 CGJSLVNAZTVCPW-OAQYLSRUSA-N 431.610 2.081 30 10 IEEE COc1ncccc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1315677264 CHGILAXPWBRPAQ-OAHLLOKOSA-N 426.427 2.328 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1315917995 NCXAQMXQEWCWBR-QUCCMNQESA-N 427.505 2.007 30 10 IEEE N#CCCN(CCC#N)C(=O)COC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1325000603 DQIYLCKBWSHNEI-UHFFFAOYSA-N 435.465 2.236 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H]2CCOC2)CCN1C1CC1 1329603914 SINZZMMFZBBKMN-GHTZIAJQSA-N 431.544 2.494 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 1332221993 ANTOXIASPXPVCC-BRWVUGGUSA-N 428.537 2.469 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccnc(N4CCOCC4)c3)CC2=O)cc1Cl 1352817505 CPHAJAIATXXXMF-QGZVFWFLSA-N 439.903 2.113 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1358929088 RTVZLVXWIJRFPT-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1c(C)noc1C 1358941559 OSZFEYBQBIUDGM-UHFFFAOYSA-N 442.545 2.112 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1359013135 MGMQNVJEJVKFRT-GHVJWSGMSA-N 448.527 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(=O)Nc2ccc(F)cc2)CC1 1359045504 JVJCKKNBLIJCKI-UHFFFAOYSA-N 440.523 2.220 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC)[C@H](C)C1 1359128303 PNYBKGDHXVTFKY-GOSISDBHSA-N 447.605 2.472 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1359312640 YNSXAKDTEVGHTD-HTAPYJJXSA-N 431.537 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359332001 MFNYZFXFQURQBE-UHFFFAOYSA-N 444.536 2.094 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1359472158 GZTQGSWQNHLVHX-DLBZAZTESA-N 447.584 2.467 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1359898569 AQTXOMDTOVKRBA-CVDCTZTESA-N 437.548 2.433 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCCC1=O 1360486034 ATBXWAXLJDDEHC-QGZVFWFLSA-N 437.548 2.310 30 10 IEEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)c(C)o1 1360997319 FVIHTECSDGDLEC-WZONZLPQSA-N 434.500 2.246 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1439500862 MDCGIWXGDOSHAO-UHFFFAOYSA-N 426.542 2.491 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CN1C(=O)c3ccc(Br)cc3C1=O)C2 1456735521 NLGPMGXFGNLBAV-UHFFFAOYSA-N 445.298 2.145 30 10 IEEE CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458002428 MPCCLCWBZIUBGF-KRWDZBQOSA-N 429.498 2.407 30 10 IEEE CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1464668281 UXYPEHLNEKCKAF-QZQOTICOSA-N 442.516 2.287 30 10 IEEE CC#CC[C@@H](CO)NC(=O)NCCOc1cccc(NC(=O)c2ccc(OC)cc2)c1 1468842348 RASQAWWSCQLYIX-IBGZPJMESA-N 425.485 2.400 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CC1 1471529987 YYYXYCOZAANFFD-UHFFFAOYSA-N 437.456 2.371 30 10 IEEE CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472370323 DKZPLQWTTRJFED-UHFFFAOYSA-N 431.452 2.265 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cc1 1492392049 HDDUPKMPTZKDSE-SFHVURJKSA-N 426.521 2.199 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1504686209 ZJDMLDDSELAYIM-CTNGQTDRSA-N 441.532 2.397 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1505264355 UQEVQSAPNDTGJR-MRXNPFEDSA-N 435.575 2.105 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNc1nccc(C(F)(F)F)n1 1507665620 QKVJZVAOCKSUNX-UHFFFAOYSA-N 443.437 2.062 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1507743679 ATSLSBANTYEDGS-INIZCTEOSA-N 443.573 2.421 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507799789 KWVSQZHPPSUOJY-JBACZVJFSA-N 426.565 2.478 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC(NC(=O)COC)CC1 1507871920 BLZSTHIQRGSNDM-UHFFFAOYSA-N 437.903 2.480 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CC1 1507885006 PLPNIABYRXLKJF-NSHDSACASA-N 425.299 2.324 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1508094573 GZHWXDHOWDONPL-NRFANRHFSA-N 449.559 2.160 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508846397 UZSRQYBZSCCPHS-QHCPKHFHSA-N 433.516 2.206 30 10 IEEE Cn1cc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)cn1 1517380393 BKCOBLDPGVBGDR-UHFFFAOYSA-N 432.532 2.275 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)CC1 1519239679 MJJPLLLRBMYBJL-UHFFFAOYSA-N 438.532 2.118 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1539085670 OXHWOIPRRDLRDU-UHFFFAOYSA-N 434.544 2.198 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(Cc2cccs2)CC1 1539260166 LPHOKSRCXPJEIF-FQEVSTJZSA-N 436.585 2.276 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC1(C)C 1539400034 YDACFESUAMZKOX-GOSISDBHSA-N 445.589 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1occc1C 1539409260 UIXSKRDFGVKZJR-UHFFFAOYSA-N 442.545 2.274 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1539474474 RFZSJMRQQVGMKB-UHFFFAOYSA-N 443.555 2.044 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)=O)CC1 1539641933 GZVMXFJDVOTRMX-IFMALSPDSA-N 441.580 2.180 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)C)CC1 1539759241 ZEUQKYUNUUVBHS-UHFFFAOYSA-N 432.594 2.393 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)Cc1ccco1 1540869565 QDRXCYQDAUHOLS-IBGZPJMESA-N 434.500 2.331 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1545123714 TZQPTPZQUMQFFR-YWZLYKJASA-N 429.456 2.016 30 10 IEEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 1545342257 JUCZOOGYVRNJLY-CQSZACIVSA-N 440.443 2.146 30 10 IEEE CC[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1545638523 ODVCDRBWHRQXPH-ANNUQZOISA-N 440.552 2.148 30 10 IEEE Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1545988182 DRLGDMVGXWDRLY-JXFKEZNVSA-N 441.919 2.270 30 10 IEEE CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1545998829 BXXLDMGKLAAOKX-PKOBYXMFSA-N 447.547 2.066 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1554429343 KFQSEVYOMGIHNO-OALUTQOASA-N 438.532 2.118 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCS(C)(=O)=O)cc1 1554975686 CELFZBGSINBNIP-NRFANRHFSA-N 447.561 2.430 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CCO)c1ccc(Cl)c(F)c1 1557942311 UKROUTREENLUMX-INIZCTEOSA-N 439.896 2.148 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCCOCC(F)(F)C(F)F 1568605454 OOYDHFFMDFHBOH-VPOLOUISSA-N 448.335 2.005 30 10 IEEE CCN1C(=O)c2ccc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)cc2S1(=O)=O 1570830744 DYJSUJBLQGBRDE-SFHVURJKSA-N 438.509 2.074 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1587766570 XAMYJHUUUYLFBS-RTBURBONSA-N 439.564 2.373 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1587892025 ICVDKQRDQFUFBI-UHFFFAOYSA-N 428.441 2.424 30 10 IEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588035355 SJWMGFJXTMUAMT-IEBWSBKVSA-N 438.594 2.209 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045516 MDAHLNSRGYUUHL-GUDVDZBRSA-N 443.573 2.172 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(F)cc(C#N)c1)n2C 1588159008 FELVUFGYLGICEX-UHFFFAOYSA-N 429.477 2.406 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](CCC)OC)CC1 1588805823 BWTAAFZINBNDDA-QGZVFWFLSA-N 435.532 2.164 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CSC)cc2)CC1 1588864535 FLHKPLMEJFDWCY-UHFFFAOYSA-N 438.601 2.067 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[S@@](=O)CC)CC1 1588908685 VDDOGTPOHGNFGT-PMERELPUSA-N 447.992 2.333 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1594668162 DIPFJHOVCKBMGN-UHFFFAOYSA-N 433.520 2.317 30 10 IEEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1595058097 AIEMGLXDGOICFR-UHFFFAOYSA-N 434.537 2.103 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(C)C 1595529984 ORGBIONXXFXKPI-UHFFFAOYSA-N 433.582 2.023 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C(=O)OCC 1596778809 XCFFTFZTIPTEKY-CYBMUJFWSA-N 439.317 2.326 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1596830479 BEGLFSYTCUTHBW-VQIMIIECSA-N 442.589 2.207 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)cc1 1612145608 YQHQXDJZPVZWRP-NRFANRHFSA-N 440.548 2.007 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1613412317 AHXNSXSBTZQHRT-PXNSSMCTSA-N 444.605 2.419 30 10 IEEE CCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)cs1 1613887055 LVCHHBGQDNQPGC-UHFFFAOYSA-N 430.559 2.365 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@](C)(O)c1cccs1 1614028451 DFOWOYSGZLZJNC-YCRPNKLZSA-N 438.561 2.186 30 10 IEEE C#CCN(CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C(=O)OC(C)(C)C 1616692997 NYMLEPCTVPGJQR-UHFFFAOYSA-N 433.456 2.076 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC=CCC1 1619899812 IWVAGKYOHVJQKP-NRFANRHFSA-N 449.559 2.016 30 10 IEEE C#CCOc1ccccc1CNS(=O)(=O)c1c(C)nn2cc(Br)cnc12 1621800223 SVALMZCDCIHQPN-UHFFFAOYSA-N 435.303 2.291 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1624692787 UPZVMMKTGQUZGM-JOCHJYFZSA-N 445.520 2.098 30 10 IEEE COc1nc(N2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)ncc1Br 1629295239 AVBJDCSMMYMJSY-UHFFFAOYSA-N 438.232 2.360 30 10 IEEE C[C@@H](NC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 1632714636 AZFSPSZNXZEJNU-FNOORWRPSA-N 443.507 2.326 30 10 IEEE CCN(CCOc1ccccc1OC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1633959208 GMWYRMYBAOXKMJ-MRXNPFEDSA-N 431.514 2.161 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(Br)ccc2O)s1 1638894688 ZYWYCOARLLVLJP-UHFFFAOYSA-N 432.321 2.257 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(C#N)CCOCC1 1647904895 YPETVPJKFUBKGR-IBGZPJMESA-N 430.549 2.448 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1648581168 DDOMSSIFJBZZSU-FHWLQOOXSA-N 447.557 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)CC1 1651375132 NJTCKDWPPHYRLI-KRWDZBQOSA-N 430.505 2.497 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](CC)(c3ccc(OC)cc3)C2=O)c1 1651700247 QPBRAGJMRLHUHZ-HSZRJFAPSA-N 434.452 2.182 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC1CCN(c3ccccc3C#N)CC1)CCO2 1684480043 FNLZCSCWQIGAHL-YZOUICBYSA-N 426.517 2.327 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2COc3cccc(Br)c3C2)n1 1687408985 LLODUTZBBHZKQP-MRXNPFEDSA-N 447.333 2.441 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](F)COC)c1 1689871632 ANEZDWBAQWLFCX-LJQANCHMSA-N 436.491 2.305 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)C(=O)NCC)CC1 1690132133 IQXXLJGECPQLKX-UHFFFAOYSA-N 438.576 2.083 30 10 IEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690228894 HZZCVMHJWGRULA-CYBMUJFWSA-N 439.358 2.248 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690245181 DYXRDRKORKWFNK-FMKPAKJESA-N 443.470 2.104 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1nncn1CC 1690567579 IEESMAPHMKRIGK-UHFFFAOYSA-N 426.500 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690663203 PGSWBFCGUNXXFS-QGZVFWFLSA-N 428.493 2.407 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690681483 REIIODNLKGHAKU-HXUWFJFHSA-N 449.559 2.206 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCCC)C1 1690685056 UUHZSBIXBUXBJN-LJQANCHMSA-N 440.548 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690723565 VXEHOTXLCNZTQI-INIZCTEOSA-N 439.582 2.250 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1690731126 AGSKSIGRBKOGDQ-UHFFFAOYSA-N 442.589 2.466 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C2[C@@H]3CCC[C@@H]23)nnc1[C@@]1(OC(C)C)CCOC1 1690731177 BTZLDFMLDYERGQ-CBGDNZLLSA-N 438.594 2.154 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1692658893 OMCYJFXOWRRYMQ-JKSUJKDBSA-N 429.550 2.322 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1698129081 JRKYNKNQGTZHMZ-IBGZPJMESA-N 448.612 2.367 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1c(C)cccc1C 1698172121 VEPVLCBGLPEECQ-OALUTQOASA-N 429.521 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)cc1OC 1705589937 ZGWUORUONDPPQZ-UHFFFAOYSA-N 444.495 2.454 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCO[C@H]2CCOC2)CC1 1705647436 DYZJJOCEUWGOEY-FQEVSTJZSA-N 429.565 2.097 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)CC1 1705781134 QGZZQDUIQSKBCF-CYBMUJFWSA-N 435.579 2.048 30 10 IEEE C=CCCOCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1705832580 BURCKWLHCRHHIG-HSZRJFAPSA-N 447.580 2.018 30 10 IEEE CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1709950800 UMEHLUPHUONGPK-HNNXBMFYSA-N 426.502 2.175 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1710198618 FJYGCNRNTILWCC-INIZCTEOSA-N 436.520 2.392 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711072424 CJQILMBQBQCCJZ-SFHVURJKSA-N 439.545 2.063 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1711316446 FBCCUXAEAQMVON-DEOSSOPVSA-N 449.559 2.038 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722282667 ZPILDXTXHOVWMF-FRQCXROJSA-N 429.487 2.272 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1722294240 QQCKICODLTXFRH-CMJOXMDJSA-N 432.484 2.151 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722367595 WQVHAZXQVMSZTH-IBGZPJMESA-N 442.585 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1OCCC1(C)C 1722374941 HXEWWXCSDKGYJU-IBGZPJMESA-N 426.542 2.237 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCc1ccco1 1722405668 PBQXQFCEGJVMRO-UHFFFAOYSA-N 445.321 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1722446535 ZZDJVSRPLFGUSN-UHFFFAOYSA-N 448.571 2.309 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722463942 QLMHNAUWZWEZAU-KRWDZBQOSA-N 443.573 2.289 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722527201 BQFDIODSKWMXIG-FQEVSTJZSA-N 426.565 2.343 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCN2CCCC2)CC1 1722540660 GKFDXOGFNUXHBD-UHFFFAOYSA-N 436.988 2.348 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722619783 DIXFFIIGDHXGHN-UHFFFAOYSA-N 440.548 2.139 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1722729824 YBTFTJXAIBECBI-INIZCTEOSA-N 449.487 2.385 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCN(CCOC)C(=O)C3)nnc2C(C)(C)C)cc1 1722730895 GWDWWGCATBZZSK-UHFFFAOYSA-N 427.549 2.484 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722871029 TZIPJGOBXHKVTR-QZTJIDSGSA-N 435.532 2.049 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1726516402 CPBGQOMZZFECSV-GOEBONIOSA-N 428.562 2.385 30 10 IEEE COc1cccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1730252921 BCQGJLHELBKPBQ-DYESRHJHSA-N 434.500 2.469 30 10 IEEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1730486817 NFVHBEJWZVERDD-QRQCRPRQSA-N 439.495 2.307 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCOC2)C1 1731181385 OESNVYVPKFWCCH-ROUUACIJSA-N 436.285 2.301 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740571706 UTUFORQBQLWPAS-UHFFFAOYSA-N 431.500 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1C 1740650469 BKQRYLWSMWGXFY-QUCCMNQESA-N 430.516 2.056 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1740688147 AWRDQQKFUXFWPI-RTBURBONSA-N 444.624 2.401 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1740833944 ZNCZXDNKGFCJMI-AEFFLSMTSA-N 447.609 2.373 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN1CCCO 1743678629 NAECGOYZAJGMMC-LPHOPBHVSA-N 439.564 2.173 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1744034769 XWUHQKYQKFLYRL-HSZRJFAPSA-N 437.548 2.183 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1746464727 OHNBCIYDPFGQMC-NZQKXSOJSA-N 429.613 2.330 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1748710490 RIDTZXDONFMTBG-MRXNPFEDSA-N 433.516 2.360 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N(CC)CC 1748842327 KYFSWBWKXGJYNZ-IBGZPJMESA-N 445.571 2.478 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCOCC2CCOCC2)CC1 1748983572 UJHIDADUKIPJDG-UHFFFAOYSA-N 427.549 2.435 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(COC(C)(C)C)on2)CC1 1749001437 RDFQLEXCMBXQLU-LJQANCHMSA-N 428.537 2.236 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749114417 BTUUPAABYLIZLA-QYZOEREBSA-N 446.596 2.091 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1749351877 CBVCURZOKRHZNF-UHFFFAOYSA-N 425.599 2.422 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1749670583 UEDHSSKLXXESQJ-ZWKOTPCHSA-N 441.532 2.141 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H]1CSC 1749671175 ZKWPTLIMEJQJQA-YJBOKZPZSA-N 429.546 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2cc(Cl)cn2)C1 1749716789 BQUOPLDCSDWNSJ-GOSISDBHSA-N 430.944 2.471 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1749754295 JLAJNTVXUUCNDM-HNNXBMFYSA-N 433.607 2.322 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1750498784 DYYFVFSSDAIPGN-UONOGXRCSA-N 442.467 2.018 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CCO1 1751039294 HGTBOTXDJDQSJY-IBGZPJMESA-N 429.521 2.130 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760184069 VAULDYHBFIYMMJ-PKOBYXMFSA-N 449.621 2.257 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1760187220 CCUJZFOIYXKTCL-SFHVURJKSA-N 431.562 2.092 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC[C@@H](F)C1 1760247737 NDXZWYNZYDWGJG-DLBZAZTESA-N 438.507 2.416 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCNS(C)(=O)=O)C1 1761544757 KEMUIOGGPMFSGF-FQEVSTJZSA-N 434.541 2.077 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1761828342 FUOMUDQCQGHPQW-NRFANRHFSA-N 447.536 2.432 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCS1 1763177021 GNPRFLBOXQYHDR-YCRPNKLZSA-N 426.546 2.149 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CCOC1(C)C 1763266599 GWLSPOWPQLUBLT-SFHVURJKSA-N 442.564 2.311 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNc2ccccn2)CCOC1 1765879613 JKRGLQDETFRJAR-RTWAWAEBSA-N 429.500 2.269 30 10 IEEE CCNC(=O)C1(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1767200623 VQJRFQVXOWCPDI-VGSWGCGISA-N 432.569 2.221 30 10 IEEE CN(CCc1nccs1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1767290977 DSYCENJXHXQSRI-MSUUIHNZSA-N 429.550 2.237 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1769234498 UYRSCASMGLWZOK-OXQOHEQNSA-N 438.532 2.116 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)COC)CCO1 1770960175 FKINWZVUBAAAOF-LJQANCHMSA-N 429.521 2.253 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCCOCC(F)F)cc1 1771533699 VTZWWGVBCQMUEI-NRFANRHFSA-N 433.459 2.484 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)c1 1849198863 BCMLDAGZNSYERX-NRFANRHFSA-N 442.516 2.199 30 10 IEEE CN1C[C@H](CO[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)CC1=O 1851325258 DFTCESHLABTQRY-UYAOXDASSA-N 428.510 2.274 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CCC(=O)N3Cc3ccc(Cl)cc3)CO2)nc1 1852697744 ZYDPHKNDMBQABL-MSOLQXFVSA-N 426.860 2.461 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1=O 1854459601 GYGKQFULOAHNPK-CQSZACIVSA-N 443.447 2.395 30 10 IEEE C[C@H]1C(=O)N(C(=O)C2CCC(F)(F)CC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854657150 XYIZYFMSSYJTGD-ZDUSSCGKSA-N 425.457 2.132 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(F)(F)C3)C(=O)C23CCCC3)cc1 1856312968 GMWKANBDWRTWIP-UHFFFAOYSA-N 437.468 2.276 30 10 IEEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868783918 UNAQKMPJLAPDKG-APWZRJJASA-N 431.606 2.082 30 10 IEEE CCCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868795178 JLESKMMJKFWLTN-VQTJNVASSA-N 445.633 2.474 30 10 IEEE Cc1nc(SCc2cc(=O)c(OCCCO)cn2CCOCCO)c(C#N)c(C)c1C 1870237340 FILGMMGIBQRMCG-UHFFFAOYSA-N 447.557 2.103 30 10 IEEE COc1cccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 1874280436 SDLULHJBWRLIOT-HJGVYBFFSA-N 447.561 2.463 30 10 IEEE O=C(NCC#CCN1CCCCCC1)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889031343 XVMXELBCCTZHAR-YADHBBJMSA-N 426.586 2.225 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)CC1 1889528313 SKRPDMODNBBBRN-UHFFFAOYSA-N 435.572 2.134 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCCN2CCC(C#N)CC2)[C@H]1c1ccc(C#N)cc1 1889775669 ZLHRFRYVPNGFSM-YADHBBJMSA-N 439.585 2.304 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COCc3ccccc3)CC2)CC1 1890218776 IWGOQYZYYNJAOW-UHFFFAOYSA-N 427.589 2.240 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891143748 OSQMZGLWBJDROE-IRXDYDNUSA-N 425.514 2.173 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)C1 1891564977 QTCCGIUTMOBFGA-UHFFFAOYSA-N 426.432 2.240 30 10 IEEE C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)N4CC(Oc5cccnc5C#N)C4)cn1c23 1891852719 KXWKSRIJHCFQCL-LLVKDONJSA-N 438.390 2.403 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 1892111002 GPHOVAGMZUJCGE-UHFFFAOYSA-N 431.496 2.458 30 10 IEEE C=CCN(CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C 1909078476 JPPQHVJJCHVRJQ-HUUCEWRRSA-N 441.525 2.378 30 10 IEEE Cn1ncc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1CNC(=O)OC(C)(C)C 2060826713 XCPHSTJHKYSHRR-SFHVURJKSA-N 438.532 2.295 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2174787668 WTYFCMDDISOUIR-LJQANCHMSA-N 429.498 2.183 30 10 IEEE C#CCn1ncc(NCC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Br)c1=O 2181150405 JEMFSWDBLJVFOP-ZDUSSCGKSA-N 441.326 2.077 30 10 IEEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCCO 2186655963 CCMNBLDYGZHWPY-OAHLLOKOSA-N 446.550 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](CS)C(=O)O 2229107184 GTPGCIMOUQRFQP-STQMWFEESA-N 447.351 2.384 30 10 IEEE Cn1cc([C@H](O)C(=O)C#Cc2ccccc2Br)c(I)n1 2235731279 QABIXBUCEDLLPM-ZDUSSCGKSA-N 445.054 2.441 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2244372472 COHOURLPEDFACZ-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)C1 2247541452 CTSALRMCXHBCBF-HRZDDSQGSA-N 430.501 2.469 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247905432 IEVCGWRBIKQDIG-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE Cc1nc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247905881 KEIPVZJWFYCMFF-UHFFFAOYSA-N 439.343 2.031 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H](CO)C1 2255378300 XZCLOXHOXAODHH-HOTGVXAUSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CO1 2255527666 PNGMPQRFSUJRTR-AWEZNQCLSA-N 436.289 2.406 30 10 IEEE Cc1c(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630955 ROFJCKDFYMOZPQ-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](OCc2ccccc2)C1 2255638630 LNHBIFQXMOFGIG-SFHVURJKSA-N 425.338 2.459 30 10 IEEE CCn1cc(C(=O)NCC=CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255817730 AEBOTTRHFTYPIL-UHFFFAOYSA-N 434.346 2.013 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)C2 2255859939 WPXHSJWPNWETSN-MFKICJERSA-N 434.342 2.030 30 10 IEEE Cn1nc(C(=O)N2CCCN(Cc3ccccc3)CCC2)cc1B1OC(C)(C)C(C)(C)O1 2267129660 DQGGSHCNIFJXEH-UHFFFAOYSA-N 438.381 2.458 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267173462 LDIJLJMFNMAXPS-PXNSSMCTSA-N 436.365 2.416 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2267239502 SRVAMEPMWQARAE-UHFFFAOYSA-N 436.361 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2267521578 QGEOKEGECVOYDB-KBMXLJTQSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267756790 DRAXXJZHQVJODL-CYBMUJFWSA-N 448.325 2.136 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268648035 VBYOZVWLLJIBDI-QRQCRPRQSA-N 447.341 2.249 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268688542 RNQCRAFAWUPVID-QGZVFWFLSA-N 446.353 2.415 30 10 IEEE CN1CCN(C(=O)c2cc([C@H]3CN(c4ccnc(C#N)c4)CCO3)nc3ccccc23)CC1 2296584762 PDLQHWPHEFMVQS-XMMPIXPASA-N 442.523 2.467 30 10 IEEE CC#CCN(CC(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300542386 LOURCCLTPBYCIT-BBWFWOEESA-N 439.553 2.027 30 10 IEEE C[C@@H](CNC(=O)C#C[C@@H](C)NC(=O)OC(C)(C)C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2302413872 AMDKFCCJLHRMOC-DMPWYTOCSA-N 439.553 2.027 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)[nH]1 2315394790 WYMZNHXMCDDMSL-MRXNPFEDSA-N 435.374 2.141 30 10 IEEE CCCNC(=O)CSc1nncn1N=Cc1cc(Br)c(O)c(OC)c1 2321261775 VVGXJDIINHUOPO-UHFFFAOYSA-N 428.312 2.255 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccncc1 2328988589 ICBIVGLWIOXVCW-KRWDZBQOSA-N 443.577 2.240 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc[nH]1 2330750080 UUNXRSWSLPDGOK-UHFFFAOYSA-N 425.518 2.472 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1ccc(OC)c(OC)c1 2331235078 NKPRCFYCPNKZDA-UHFFFAOYSA-N 435.550 2.327 30 10 IEEE CC1(C)CC(=O)C2=C(C1)N(CN1CCOCC1)C(=O)[C@@]21c2ccccc2-c2oc(N)nc21 20568322 OYDMUARBKZILFN-DEOSSOPVSA-N 434.496 2.298 30 10 IEEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)NCc1ccc(F)cc1 21320222 IXVXDSSTOFUJFN-NUGSKGIGSA-N 449.899 2.345 30 10 IEEE C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)C1CC1 36065283 XRLQYMQVQRGNLC-UHFFFAOYSA-N 435.528 2.225 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 39915197 LHKVUNMPHRXIRN-MRXNPFEDSA-N 440.518 2.426 30 10 IEEE O=C(COC(=O)[C@@H]1CCCN1/C=C\C(=O)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F 97212220 DHLWFLJSSZEUTQ-VGVVRCBHSA-N 433.314 2.325 30 10 IEEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)n[nH]1 440754563 BXZYJRVQXWCVOL-UHFFFAOYSA-N 445.483 2.060 30 10 IEEE COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 469295491 TYCKMQWLGKKYBR-UHFFFAOYSA-N 445.453 2.485 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2ccc(F)cc2F)cc1 470437121 GMGMWGAMCWHSPA-QGZVFWFLSA-N 430.436 2.106 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c1 515126749 GECCLLOLPGTSQP-CALCHBBNSA-N 444.557 2.090 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 533055785 UDGQNXKYPUENJU-ITGJCUMNSA-N 431.625 2.182 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 534129253 VOXLQAYIWUYYSO-VHKYSDTDSA-N 446.960 2.440 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C#N)c(Cl)c4)CC3)C2=O)n(C)n1 547960388 XYYRRPGTGDWINO-IBGZPJMESA-N 440.935 2.207 30 10 IEEE COc1ccccc1NC(=O)CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 603935662 HLPNGCDXHMKSPE-KRWDZBQOSA-N 429.498 2.375 30 10 IEEE Cn1cc([C@H]2[C@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C(C)(C)C)cn1 619476904 BVYAKGTXHRMPHY-KNQAVFIVSA-N 449.559 2.160 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCc2ccnc(O)c2C1 685551737 KDEMBOMZAGQTNR-UHFFFAOYSA-N 439.545 2.396 30 10 IEEE N#Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1Br 703967297 XJWVGKSUXPRJFQ-UHFFFAOYSA-N 434.271 2.359 30 10 IEEE CCn1c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc2ccccc21 727970965 JDFGTEBJFRUANK-UHFFFAOYSA-N 426.546 2.438 30 10 IEEE N#C[C@@H](C(=O)CCC(=O)N1CCOc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 731767696 FDYAZPFVXZXFCM-INIZCTEOSA-N 435.436 2.311 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734292369 KVYAVMQXXFSPJY-SFHVURJKSA-N 441.509 2.375 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)c1 741449523 NSWDZQKLRCBJNU-NIKGAXFTSA-N 445.589 2.443 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cc1 741711867 PAVKESMHUINISV-YLJYHZDGSA-N 431.583 2.473 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 742484606 JJWUKYLQITXFMS-NRFANRHFSA-N 425.554 2.383 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)c1ccc(C#N)cc1 757836689 USBLTUYZTNTFIR-HBUWYVDXSA-N 427.457 2.062 30 10 IEEE Cc1cc(C)cc(OC[C@H]2CN(CN3CCN(c4nccnc4C#N)C[C@H]3C)C(=O)O2)c1 758350789 GOINRQIGXPLJLG-UYAOXDASSA-N 436.516 2.333 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)cc1F 765547713 NKPWIDPULQVWEO-QGZVFWFLSA-N 431.493 2.368 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(S(C)(=O)=O)cs2)c1 767289448 MJHWDFPHLFUFNZ-KNTRCKAVSA-N 441.556 2.217 30 10 IEEE CNC(=O)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)C(C)C 772423505 ZRZMXNJRDVQERW-SNFPTOCBSA-N 437.566 2.172 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772898579 GALURAYPJOSWOY-UHFFFAOYSA-N 431.583 2.083 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)nc1 779905532 MAMVEAQZYCSDQP-DEOSSOPVSA-N 449.511 2.124 30 10 IEEE COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783826870 XRNXYIREYMQMOU-JTQLQIEISA-N 441.332 2.073 30 10 IEEE C[C@@H](CC(=O)O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 786469488 UIPQYAKDNNPPAK-IHRRRGAJSA-N 437.518 2.103 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2F)C[C@@H](C)O1 789819824 NZGRSOWQKYKNPX-HUUCEWRRSA-N 442.466 2.383 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790139629 NEKFINNEWIMZOB-HSZRJFAPSA-N 434.581 2.099 30 10 IEEE C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 791205974 YSKWXYHLTIBMPU-CYBMUJFWSA-N 429.336 2.002 30 10 IEEE NC(=O)c1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCCCF)cc1 812221215 HWGBBIPKCMUWRR-OAHLLOKOSA-N 444.492 2.286 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 856716348 SXOHDKDSCPIJFD-HSZRJFAPSA-N 446.548 2.179 30 10 IEEE Cc1ccc(C)c(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)c1 1084144751 HYGJEBZGWMVLLB-UHFFFAOYSA-N 427.490 2.197 30 10 IEEE CC(C)Sc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)s1 1084640031 XPKMQHMNMRGKSC-UHFFFAOYSA-N 438.568 2.067 30 10 IEEE CCCCNc1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cs1 1136149390 JBFLRWKXOASIPH-UHFFFAOYSA-N 447.586 2.302 30 10 IEEE C#CC[C@@H](CO)NC(=O)CCCc1nnc(-c2ccccc2I)o1 1141593828 OKMBAMUBYLNCQM-LBPRGKRZSA-N 439.253 2.164 30 10 IEEE C#CC[C@H](CCOC)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1169292780 PUHXBHWJNAUGLV-XXBNENTESA-N 433.508 2.045 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3CO)n[nH]2)c1C 1181432153 VKSJGRRGBTYFCB-MRXNPFEDSA-N 444.536 2.130 30 10 IEEE N#Cc1sccc1N1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)CC1 1192484180 HZMJEWXOQIVUSL-QGZVFWFLSA-N 436.603 2.253 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C)C1CCOCC1 1197641842 DWCHMJIRRUOOPE-IBGZPJMESA-N 448.589 2.477 30 10 IEEE N#Cc1c(NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)ncc2c1COCC2 1276481132 HMORSNAOSCJPSA-UHFFFAOYSA-N 429.339 2.011 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286300467 URHIOXKIYFKPNB-IHPCNDPISA-N 436.539 2.068 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)SC)c1 1286310310 SNMDBGZWDLKSHT-KRWDZBQOSA-N 440.573 2.427 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286337084 WTGQQHHRKDGYLT-UHFFFAOYSA-N 446.559 2.301 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1286375982 BRDCEXPAQRYSFM-ZDUSSCGKSA-N 428.436 2.038 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1286408468 DNGHAJMKJQCRAN-HXUWFJFHSA-N 445.489 2.437 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286608867 UVLLRVMJXWVFEC-YLJYHZDGSA-N 441.532 2.346 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(=O)OC)C1 1286698035 JOMCONOTENOFMY-OAHLLOKOSA-N 432.550 2.204 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1286724193 FCYIOUDNVFQYMR-INIZCTEOSA-N 441.598 2.450 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3ccccc32)C1 1286800016 DLYKAHKVEHUBBI-YTQUADARSA-N 445.589 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N(C)C)C1 1286805797 UQFBCLFHNGBZHU-KRWDZBQOSA-N 429.521 2.222 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1291971400 TXCTZSLGAUEGRE-VGOFRKELSA-N 429.521 2.064 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)n[nH]2)c1C 1297726832 BZCPFRGFINACEI-QGZVFWFLSA-N 425.537 2.486 30 10 IEEE COc1ccc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1300158185 NYKIPYNNRSWICI-REWPJTCUSA-N 441.532 2.299 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 1300466572 YCJKZFOAAGABQA-HNNXBMFYSA-N 432.550 2.355 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1300555644 GPQOGSPKEHUXNF-QHCPKHFHSA-N 442.539 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H]1COCCO1 1300574803 KXLUZFXFJZNSLG-JOCHJYFZSA-N 430.512 2.399 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCn2cc(Cl)cn2)CC1 1300701700 ZXIBANCCCAMVMR-UHFFFAOYSA-N 427.915 2.313 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)C(C)C)CC1 1300729206 QLSHHVSZIJKPCN-JOCHJYFZSA-N 429.590 2.303 30 10 IEEE Cc1nc(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)N(C)C)cs1 1304667507 ZFCOERIMTBFBBO-ZDUSSCGKSA-N 438.561 2.119 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(O)Cc2ccccc2Cl)C1 1306894311 JQIZYMRBXMLTHG-AWEZNQCLSA-N 432.926 2.482 30 10 IEEE Cc1ccc(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)N(C)C 1308113084 CAHXJYMRVYMISU-FQEVSTJZSA-N 442.541 2.129 30 10 IEEE CCCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1313488099 DILNOOFQUARNLL-UHFFFAOYSA-N 434.342 2.312 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1314870951 YERADXIGBHHYHM-GOSISDBHSA-N 432.475 2.009 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC(C)C)C[C@H]1O 1315110108 TUQCFHPANQNXEY-WOJBJXKFSA-N 441.532 2.382 30 10 IEEE COCC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1315851192 GSHQTQNKTMNNMT-NRFANRHFSA-N 431.516 2.025 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1343379610 WFVMJGDWVFKRGB-SFHVURJKSA-N 426.546 2.101 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1358888396 MATWOQRHGVPEKJ-JFNLIGNMSA-N 447.580 2.390 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1358906341 FECZZWWQKXUZCZ-MRXNPFEDSA-N 441.532 2.441 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCCOC)C1 1358910966 HBLJBPHCZMQSHC-QGZVFWFLSA-N 429.521 2.441 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC#C)CC1 1359050159 IHKAWXOBHGYIGI-UHFFFAOYSA-N 431.569 2.457 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](COc2ccccc2)C1 1359054652 CGJVXEZHOGPXKH-IBGZPJMESA-N 436.541 2.386 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(CCOC)c2)CC1 1359182718 RGKLMXSZKBDWDM-PMACEKPBSA-N 430.553 2.296 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCOCC1 1359539893 ZPMFKBCNXBZUAZ-FQEVSTJZSA-N 429.613 2.156 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)c1C 1360879310 JKEAUFPDQJGUQA-OTWHNJEPSA-N 427.505 2.179 30 10 IEEE C[C@@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)Oc2ccccc2NC1=O 1441141427 ZFJWPDVUAJLTAC-QHCPKHFHSA-N 430.468 2.165 30 10 IEEE Cc1ccc(C(=O)N(C)C[C@@H](O)COCCOC(C)C)cc1B1OC(C)(C)C(C)(C)O1 1445410782 QGKYHVOHBYMRDY-LJQANCHMSA-N 435.370 2.169 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1 1460798600 YRJWIIVLRJKEDY-GHTZIAJQSA-N 426.423 2.156 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 1463832916 BDVRMYSNNNZILS-UHFFFAOYSA-N 432.524 2.379 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(Br)cc1 1470663731 QXCFEBSTGQXNSU-ZWKOTPCHSA-N 433.350 2.071 30 10 IEEE N#CCc1ccccc1CC(=O)N1CCN(c2ncc(I)cn2)CC1 1470932951 AGEJSTAZOMOOEN-UHFFFAOYSA-N 447.280 2.039 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1471717752 DHDCMJQIXWWVNN-AVRDEDQJSA-N 429.521 2.016 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1ccccc1F 1471897181 JKXSVONGGPUSSR-QGZVFWFLSA-N 447.532 2.144 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCSc4ccccc43)C2=O)c1 1473083492 QUBDJWUWVLJMCR-JOCHJYFZSA-N 434.477 2.259 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)cc1 1475974157 RZDNCFSYUHJWJK-FQEVSTJZSA-N 433.534 2.054 30 10 IEEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1492949082 PZPVTSMYIJCVNQ-PMACEKPBSA-N 446.502 2.392 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCC(C)CC1 1503067702 MBOZROYDUGSCAI-UHFFFAOYSA-N 425.537 2.081 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCN(CC)CC1 1507705236 QHLNXUURDCRHGH-GOSISDBHSA-N 445.999 2.106 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)CCC)CC1 1507782506 IDLPMUXLWASSQV-UHFFFAOYSA-N 436.358 2.472 30 10 IEEE C=C(Br)Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1507792085 DMJSRRLKLLYITB-CQSZACIVSA-N 446.415 2.489 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507942545 SBJMSQYINLBJGU-UHFFFAOYSA-N 438.580 2.490 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1508011389 RCSCGZNHTIAKRY-HKBOAZHASA-N 444.624 2.420 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508152062 RSCVKLLTTDJNDJ-UHFFFAOYSA-N 446.577 2.340 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1508185438 HTYNNOJYAOSYJI-LJQANCHMSA-N 449.559 2.180 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508741262 ZRRCELLJQURZAC-IAGOWNOFSA-N 427.461 2.004 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1510040424 DBSKJXDNJQLXKH-COXVUDFISA-N 430.896 2.079 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ncn(C)n2)cc1C 1510933504 DZPLWYYUTWOAQL-QFIPXVFZSA-N 433.520 2.454 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1514476747 ITXADSZYHJATQT-GOSISDBHSA-N 437.504 2.002 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1516807688 GGOTVYXHAYCOOA-IBGZPJMESA-N 443.573 2.383 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C2)nc1 1527491125 NNJNMMWAWXEFNW-RDJZCZTQSA-N 442.269 2.477 30 10 IEEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Oc1c(F)cc(C#N)cc1Br 1533837525 RRFAQNQJLSMYLX-UHFFFAOYSA-N 428.258 2.175 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 1534034424 BDHCPUGZAMPZIZ-SAABIXHNSA-N 432.542 2.182 30 10 IEEE CCc1ccc([C@H](C#N)N(C)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1 1534662017 CMZFKQDZUFAMNV-FQEVSTJZSA-N 444.557 2.164 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1538972584 KSLRVKQOTVCPTM-JKSUJKDBSA-N 431.562 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)(C)C 1538982327 DLZLNPLGMJSTQW-OAHLLOKOSA-N 431.562 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539025224 GNYZDAVFBMNCKV-SJORKVTESA-N 430.553 2.258 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539119152 HMVICEHYZKZALQ-UXHICEINSA-N 442.608 2.155 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1539177978 CQJKXPGFZKJFJO-PKOBYXMFSA-N 429.590 2.379 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539215378 AQSYKDBCFDRNFD-GOSISDBHSA-N 445.589 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCN(CC)C1 1539242451 UWHIBOFEBJTIBO-SFHVURJKSA-N 437.544 2.386 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN1CCCO 1539268308 MNTOKHBTRLEFSZ-SFHVURJKSA-N 427.499 2.067 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1539391205 BDUZXACNQICNRW-LJQANCHMSA-N 444.532 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(Br)cs1 1539391890 JKDHEARNQREREG-UHFFFAOYSA-N 440.367 2.375 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539429690 BNCOKXRACQICRC-OOICKAIWSA-N 445.608 2.278 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CC)CCCC2)CC1 1539467749 YNOCIWKNXUCBJC-UHFFFAOYSA-N 440.592 2.450 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](c3nccs3)C2)nnc1[C@@]1(OCC)CCOC1 1539530706 MGDRQMOSNXBAKG-OXQOHEQNSA-N 449.602 2.331 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1539977859 UKTJUQUEUHTQPI-UHFFFAOYSA-N 432.554 2.089 30 10 IEEE N#Cc1ccc(OCC(=O)N(CCO)CCOCC(F)(F)F)cc1Br 1545911369 CPYWZLBKDQHFFO-UHFFFAOYSA-N 425.201 2.099 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1546800800 WHPWFUSIQGUJRB-SFFCAUCYSA-N 444.561 2.213 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1547602844 FIHRSWCHGSLZFD-UHFFFAOYSA-N 431.440 2.162 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCCn1cnnn1 1548148074 LKYQOAXPXNJBGH-FQEVSTJZSA-N 435.536 2.222 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1554967640 FNKBOOFLNVKMPJ-QAPCUYQASA-N 426.521 2.376 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1556305963 KWCUOBWVCPVYLE-IBGZPJMESA-N 429.517 2.082 30 10 IEEE C=C[C@@H](C)ONC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1557340554 JQFWFMZECUCLCE-OAHLLOKOSA-N 447.513 2.471 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@@H]2C)CC1 1568995636 XVKXOFQXOZJEJJ-KBPBESRZSA-N 429.473 2.217 30 10 IEEE COC[C@]1(C(=O)N(C)CCOCc2ccc(C#N)cc2)CN(C(=O)OC(C)(C)C)CCO1 1569934090 SAPLBEAKKLJBLL-QHCPKHFHSA-N 447.532 2.186 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1585215229 CWURRIUJVIVNOI-NRFANRHFSA-N 435.546 2.228 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1585280454 ZDQGLPAXMHCHNM-IFMALSPDSA-N 449.617 2.091 30 10 IEEE C#CCCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1587792800 APJYRCDFUMGPNL-XMMPIXPASA-N 449.559 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(C)cc1 1588228980 OIMKJILPHIPXTD-UXHICEINSA-N 440.569 2.419 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1588975960 NTVIJDWMHSTQJL-KRWDZBQOSA-N 448.637 2.161 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1589404032 GEDCSQIBZBFXOQ-QGZVFWFLSA-N 440.386 2.239 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1593886034 PWEBLVRUYMZTRH-KUHUBIRLSA-N 440.928 2.170 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595544634 KWSUBWKPCUSTGQ-MJGOQNOKSA-N 446.596 2.199 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)c1 1607585764 PKCTZPAMZBWPIO-MWTRTKDXSA-N 440.521 2.294 30 10 IEEE C#Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cc1 1621701759 WTWJMRBCLQBLLQ-UHFFFAOYSA-N 432.567 2.409 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCc1ccc(OCC#N)cc1 1626725552 CLURBVVSYZECGP-ZCPGHIKRSA-N 435.402 2.191 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1628487455 MHCJEYOPVLPEOJ-UHFFFAOYSA-N 435.546 2.284 30 10 IEEE CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1628684228 DMYHQGXYFFEKAU-UHFFFAOYSA-N 440.463 2.332 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)cc1[N+](=O)[O-] 1628955573 SYXUOCMHLOZZRZ-ZIAGYGMSSA-N 427.461 2.469 30 10 IEEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1633326220 GAUFWYLCLNLQDD-UHFFFAOYSA-N 448.951 2.293 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 1635015401 DAJOYXZFGSJCRL-GOSISDBHSA-N 435.546 2.378 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1 1635061391 RTNAWVDOWRKJRS-LJQANCHMSA-N 447.557 2.215 30 10 IEEE C=CCCSCCNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1636744214 USYNATJVXGNAMS-UHFFFAOYSA-N 427.592 2.411 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H](CO)Cc4cccc(F)c43)C2=O)cc1 1639583779 KCGMCCLMBIHREN-KXBFYZLASA-N 436.443 2.100 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(F)(c2ccccn2)CC1 1640302263 YGEVLHAIZQJLIN-UHFFFAOYSA-N 430.505 2.388 30 10 IEEE C[C@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1643678495 DRWZUECQPINJCB-HSZRJFAPSA-N 432.436 2.094 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)c3cc(F)ccc3F)CC2)cc1 1648769641 CXICRZNPKSSXOL-FQEVSTJZSA-N 449.479 2.087 30 10 IEEE COC(=O)C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)C 1652672176 BZKHYRCTPKOYCP-QGZVFWFLSA-N 437.562 2.380 30 10 IEEE CN(C)C[C@H]1COC2(CCCC2)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1655094499 XPDXRZQHKPNLBF-PMACEKPBSA-N 445.633 2.032 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cc1 1661206482 MJVHOMGMEZUBJH-UHFFFAOYSA-N 436.530 2.329 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)cc1 1663403452 HIXNKJYOJPMPMY-UHFFFAOYSA-N 426.491 2.078 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)nn1 1673802903 ZELIQDWESLFLSG-JENIJYKNSA-N 448.568 2.458 30 10 IEEE CC(C)C[C@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)C(=O)N1CCOCC1 1682243907 OIJYLQMYUAQDOU-FQEVSTJZSA-N 427.549 2.100 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1689830654 BGUAJPFIYLPNGI-GCJKJVERSA-N 446.573 2.252 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCN(CC)CC1 1689847774 HSLYTGRBWBSGHS-GOSISDBHSA-N 448.575 2.079 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1689919716 YRBWVYLRWMDOHO-UHFFFAOYSA-N 431.924 2.316 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690023920 MOKJCEIMPPEDAZ-DHLKQENFSA-N 434.540 2.483 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1690093852 MDXOAINXLQCFDO-AZUAARDMSA-N 430.574 2.341 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCC[C@H](C)C2)CC1 1690133448 HHNDWTRLHCSNTD-FQEVSTJZSA-N 440.567 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc(OC)ccc2OC(F)F)CC1 1690137620 DWPVFQPFTQNFOE-UHFFFAOYSA-N 433.459 2.211 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CC 1690559884 LXBAGYJIWGZYDV-KNQAVFIVSA-N 443.573 2.405 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690661182 WKWLZSQOBKNLQV-AQNXPRMDSA-N 436.560 2.370 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1692346755 NLGQKGITRBQRGU-CVEARBPZSA-N 445.536 2.371 30 10 IEEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1694446855 XZXDQTSCZFNSIF-OAQYLSRUSA-N 446.577 2.294 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1695046158 CDWVYXBSNVNEFQ-VGSWGCGISA-N 429.569 2.197 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Cl)cn2)c1 1697308189 HONJCMRFGNQPNL-SFHVURJKSA-N 443.895 2.241 30 10 IEEE COc1ccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1697462172 OPGGQLUUFJMBFT-LEWJYISDSA-N 430.484 2.213 30 10 IEEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1697733456 FKCNHLAVAMFKAX-VQIMIIECSA-N 426.521 2.148 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)CCC)cc1 1705477958 URPOFJFLFKIRHM-JKSUJKDBSA-N 446.577 2.133 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCn1cc([C@H]2CCOC2)cn1 1705599588 QLSGNCMNXCWGCH-NRFANRHFSA-N 429.528 2.127 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nnc(C)s2)CC1 1705643922 VESDYDHNUDIHHY-IEBWSBKVSA-N 443.621 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1705644380 OVHYFFSPWULPSA-UHFFFAOYSA-N 448.615 2.467 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1705761889 DQJDOOQEEGGEOP-HOCLYGCPSA-N 432.974 2.158 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OC)C1 1705914209 JADJMRZOSRVTTM-QGZVFWFLSA-N 435.488 2.159 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1706079894 UBTLEQZSMNBXGE-OIISXLGYSA-N 445.568 2.171 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1706516439 SYXZHLSMDRPABX-IBGZPJMESA-N 439.564 2.293 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1709829909 GIXKNUSLSNUDQN-GAJHUEQPSA-N 438.532 2.117 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1712217622 MGXSFEVMLLAJIZ-IBGZPJMESA-N 441.557 2.424 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCC1 1722344122 MBFDSWWEVVDRBI-UHFFFAOYSA-N 430.578 2.433 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722366092 PDQJFZCZBQSLNE-ROUUACIJSA-N 434.537 2.060 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCc2cc(OC)ccc2OC)CC1 1722438441 SBVUPPGEMBYIKB-UHFFFAOYSA-N 447.543 2.140 30 10 IEEE C=C(Br)Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1722488419 GNIPQOWZQUBLGQ-KBXCAEBGSA-N 443.342 2.228 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cscn2)CC1 1722533576 AVCSNJCRPHJEEL-UHFFFAOYSA-N 426.550 2.107 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1722697804 PWTFPHHTPVZFBJ-GOSISDBHSA-N 449.559 2.467 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(C)(C)O)c2)C1 1722709467 QTFJXKYONZUIIB-IBGZPJMESA-N 427.549 2.473 30 10 IEEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)cs1 1725222700 IKFPVIHNPDICFU-MRXNPFEDSA-N 430.626 2.256 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1726828549 DCPKBXRAFRLSFO-JLCFBVMHSA-N 436.520 2.011 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CC=CCO1 1729067549 XXTTVENGYATXKY-GOSISDBHSA-N 426.496 2.497 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1 1730537254 KUKDUESQUBKTCS-UHFFFAOYSA-N 449.515 2.352 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1730842275 SSFLFLUTEHMTNA-ZDUSSCGKSA-N 443.426 2.409 30 10 IEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CC#C 1740574105 JOYRJBBYSMFJIK-LJQANCHMSA-N 425.533 2.463 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1740626952 XCIZPGVSUJPQSO-ZDUSSCGKSA-N 442.463 2.256 30 10 IEEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1740673367 RLYREEKZRLWWCV-UHFFFAOYSA-N 430.574 2.356 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(OC)cc2)CC1 1740696539 WMWMXSUYXMBEFQ-IBGZPJMESA-N 425.533 2.015 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1740961327 UFXMAZWTXCMTHI-UHFFFAOYSA-N 438.576 2.174 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1740968417 IPVCOVOLFOJTKD-INIZCTEOSA-N 444.561 2.241 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1741015974 DXZAKZPLVSGPPS-DRKIFQHWSA-N 440.573 2.032 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(C#N)o2)cs1 1742578374 MKOJQEVLAHQXKH-UHFFFAOYSA-N 425.518 2.239 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CN1CCCC1 1748784564 PJFWMNLGRGDFAJ-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1748821301 OMOWYEJBZFCDIH-HXUWFJFHSA-N 444.605 2.302 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1748888574 YCPLCENUQJNTFG-ZWKOTPCHSA-N 442.564 2.195 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2n[nH]c(C)n2)CC1 1749000003 JOIATWPEODYBPE-UHFFFAOYSA-N 436.589 2.303 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749426478 CQZVKPZBCGHYKX-QZTJIDSGSA-N 437.610 2.135 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2sccc2C1 1749677860 MSFNHXNVMLJBCQ-UHFFFAOYSA-N 442.570 2.196 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1749706637 QPYJNFOOQAKKGD-CEXWTWQISA-N 441.580 2.404 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)CN2CCOCC2)C1 1749714419 JNXYJGVHBVONFP-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1750132810 QNTCLYVOAVRTNG-HKBOAZHASA-N 444.580 2.391 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1750389212 XIYPNHNQVQGTLK-HNNXBMFYSA-N 444.421 2.044 30 10 IEEE Cc1nc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CCO2)no1 1751763666 QGMUCXBDDXYRRF-MRXNPFEDSA-N 445.430 2.368 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760159065 WFKKXCFUWHMPCZ-NRFANRHFSA-N 437.544 2.407 30 10 IEEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC[C@@H]1NC(=O)NC1=O 1760165644 YZKXHJCPLUCOSL-INIZCTEOSA-N 449.540 2.435 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760192340 HVYLJBDYNMOOIZ-JCGIZDLHSA-N 447.561 2.165 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760359487 PORDYEBKPLQIBS-HXUWFJFHSA-N 432.550 2.257 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760433730 VMILXECZQFLELQ-AWEZNQCLSA-N 434.522 2.325 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760519799 PWZGALGEQWHVIF-IAGOWNOFSA-N 441.532 2.127 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(O)(CC)CC)C1 1760537677 QJBPUBMORLEKJC-IBGZPJMESA-N 438.536 2.253 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1760688000 YNALTLYCPMPFRT-ZDUSSCGKSA-N 432.326 2.316 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(Cn2cccn2)cc1 1761211070 FKAXKJHXGCHZPF-UHFFFAOYSA-N 432.532 2.449 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1761553038 BBHOWGXTQUHNGB-GCJKJVERSA-N 443.573 2.381 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)COCCO1 1763740626 FJHMVRPWJPJEHH-VGOFRKELSA-N 425.537 2.190 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)c1ccccc1 1766407656 MXZSKBHTBSBWNY-DEOSSOPVSA-N 447.543 2.316 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1767423325 CEJUPLAPVYYIDV-JOCHJYFZSA-N 442.495 2.448 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1C 1768291375 NZHNERVPMTYNMB-DLBZAZTESA-N 446.577 2.293 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1768426583 UBPSHINCNTZDIP-MRXNPFEDSA-N 443.939 2.371 30 10 IEEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1770863694 WUQMEQOCHXVJNK-UHFFFAOYSA-N 434.422 2.278 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1772523345 OUZNSXVJRPSHTG-OPAMFIHVSA-N 444.557 2.389 30 10 IEEE N#C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1848650235 BRCMBOPAKOONRV-YGRLFVJLSA-N 449.838 2.411 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(C(=O)N3CCCC3)C2)[C@H]1c1ccc(C#N)cc1 1848980264 ONJWHXJLSUIHMW-NHCUHLMSSA-N 440.569 2.033 30 10 IEEE C=CCN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2cc(C)ccc2C)CC1 1850865328 WCJHQQRXOVJQAN-GOSISDBHSA-N 425.620 2.034 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4nccc(C#N)n4)CC3)CC2=O)cc1 1851142779 GTDGAZFGBATSAM-GOSISDBHSA-N 446.511 2.141 30 10 IEEE Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)nc4)CC3)nn2)ccc1F 1851953354 PFTRBVWAEIBBJZ-UHFFFAOYSA-N 433.447 2.016 30 10 IEEE CN1C(=O)CC[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)[C@H]1c1ccccc1 1852086768 ZKZOFLGINXSUER-XJKSGUPXSA-N 431.436 2.467 30 10 IEEE N#CCCn1nc2c(c1NC(=O)c1ccc(N3CCC(N4CCOCC4)CC3)nc1)CCC2 1852279885 CWQBLITYIZYZKC-UHFFFAOYSA-N 449.559 2.234 30 10 IEEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N(C)CC(=O)N1CCOCC1 1852393908 BTIAQIYKXGSOEO-QGZVFWFLSA-N 431.496 2.109 30 10 IEEE Cc1cccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)c1 1853031530 WFTGDPMNRYFFED-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE Cc1ccc2c(c1)N(C(=O)c1ccc(C#N)c(F)c1)N=C(C(=O)N1CCCC1)S2(=O)=O 1853088484 DRIULJMHGNSCDE-UHFFFAOYSA-N 440.456 2.376 30 10 IEEE Cn1nncc1CN(C(=O)c1cnc(C#N)nc1)[C@H](CCN1CCCC1)c1ccccc1 1853425918 LAPWEFWEMIIBNJ-OAQYLSRUSA-N 430.516 2.346 30 10 IEEE Cn1cc(C(=O)N2CCN(c3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)CC2)ccc1=O 1860866420 ZQTCLACVMMWSHS-UHFFFAOYSA-N 441.491 2.472 30 10 IEEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 1870109231 OBAIHTXSBLHNES-KRWDZBQOSA-N 444.451 2.196 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1ccc(C#N)cc1 1889320549 ZLZWHTIILYTDMY-NHCUHLMSSA-N 428.558 2.080 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C[C@H](CO)C1 2073620633 XIUTZNKGOJTIII-FVUUGDKNSA-N 436.358 2.442 30 10 IEEE C[C@H]1[C@@H](C)N(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCS1(=O)=O 2172778550 RBAGSHQUHJNOIU-NEPJUHHUSA-N 445.188 2.155 30 10 IEEE CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401241 GVEWXTJGKPJRKT-GFCCVEGCSA-N 440.375 2.137 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)cs2)OC1(C)C 2248576865 LYFDOITWCOPPDH-MRXNPFEDSA-N 431.319 2.447 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255614449 HBFVMOJCVHHYEI-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE CC(C)[C@H](CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255627759 YCLGJTKRUWTWMX-HNNXBMFYSA-N 436.362 2.378 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H]2CCOC2)c1B1OC(C)(C)C(C)(C)O1 2255631883 FZKPLIKLLGJUAV-GOSISDBHSA-N 425.338 2.459 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632092 IIVVBKIXIJBLKQ-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255643168 PYWSTICFQIINKU-KBPBESRZSA-N 449.382 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255655235 JOMPHDIWUGYJGO-CQSZACIVSA-N 435.305 2.259 30 10 IEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255814331 ZQMUETNZTCWJBU-AGGWBTHJSA-N 449.382 2.380 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830875 LYUPLBJKCSSARW-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256027466 WLAAADLPIXLJEZ-ROUUACIJSA-N 433.358 2.350 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2256934751 CKKTWTRWCAVSFJ-SUMWQHHRSA-N 446.334 2.231 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258875243 BMIKDNNBWUHWGB-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267136696 HQXYSHXMEKPPPS-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267161854 ICSKWWJWJGAWLK-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE CCn1cc(C(=O)NCc2ccn(Cc3ccccc3)n2)nc1B1OC(C)(C)C(C)(C)O1 2267179791 VCZLAVBXPGNLDN-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE Cc1ccc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267236719 DZMMUIHDVJOMJC-ZWKOTPCHSA-N 446.353 2.316 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 2267272963 GONYMEGOBAHUAC-IRXDYDNUSA-N 440.353 2.228 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CC1 2267505462 IXSYSXFXCKQXPD-FQEVSTJZSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267521646 SWUVOZVNBWLCSE-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE CCOC(=O)C(C(=O)c1ccccc1)=C(N)NC(=N)Nc1nc(C)c2cc(OC)ccc2n1 2294335235 YMYPMFGCIALMTL-UHFFFAOYSA-N 448.483 2.499 30 10 IEEE Cn1ncc(I)c1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2307934275 GGAORSZMFGJWPB-UHFFFAOYSA-N 426.067 2.463 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@H](F)C3)cc2Cl)OC1(C)C 2361992329 QTMJETOPPGAAAE-SNVBAGLBSA-N 425.740 2.060 30 10 IEEE O=C(O)c1ccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCCCO)C2=O)cc1 59446521 CBIKNXNKUWTFSA-KRWDZBQOSA-N 427.482 2.410 30 10 IEEE COC(=O)c1ccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCCO)C2=O)cc1 105534541 GPPBJHIKLDFFEM-KRWDZBQOSA-N 427.482 2.108 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)cnn1CCN(C)C 406944587 OUHMIJCHDCQKNM-CABCVRRESA-N 428.375 2.384 30 10 IEEE CCCn1c(CCC(=O)NCC2CCC(C#N)CC2)nc2cc(S(N)(=O)=O)ccc21 441148111 ZWUIQVAIQYXRGS-UHFFFAOYSA-N 431.562 2.472 30 10 IEEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCCOc1ccc(C#N)cc1 466102723 LHLCPUNNQLEVRK-UHFFFAOYSA-N 430.486 2.208 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)C2)cc1 495564539 JGPXAWPEGYUMSA-OAQYLSRUSA-N 443.525 2.160 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 502547622 VZHZLUXNJHUIEW-IBGZPJMESA-N 425.507 2.146 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)c1 503625800 DSIRLGRKFOZQAN-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 507746019 BYSCDBDLIWHDEC-WOJBJXKFSA-N 425.577 2.387 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)C4CCCCC4)CC3)C2=O)cc1 508634620 FKZXPFYJDMPSPN-NRFANRHFSA-N 437.544 2.488 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1-c1ccccc1C 514648799 XAGDCJANNPCRCC-UHFFFAOYSA-N 445.544 2.411 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)c1 548526903 ORRNVIIIJDAZGQ-LJQANCHMSA-N 445.472 2.197 30 10 IEEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC1)C2 557599361 YRQGWTCQERGJNJ-AABGKKOBSA-N 425.552 2.293 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1C 614904371 KIOCVOZHDPPCPP-KRWDZBQOSA-N 426.538 2.134 30 10 IEEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NCC3CCC(C#N)CC3)cc2)CC1 619661109 ZILPYHCTTLDIGX-UHFFFAOYSA-N 426.565 2.348 30 10 IEEE C#CCN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)[C@@H]1CCS(=O)(=O)C1 729332724 VZTSSBZZJZYQGF-HXUWFJFHSA-N 438.549 2.341 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 732417268 DHNBTZFKUXHWDA-HNENSFHCSA-N 432.502 2.051 30 10 IEEE N#C[C@@H]1CN(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCN1C1CC1 732666388 RJIJORXKCWKXAO-RCZVLFRGSA-N 429.524 2.306 30 10 IEEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 740203051 DISPSTRHVGGDSL-NRFANRHFSA-N 438.461 2.447 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 740235539 HQJOXHWKFMCSEJ-YPAWHYETSA-N 448.475 2.080 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 757574344 DXISOPFWXKNEOA-OALUTQOASA-N 426.517 2.414 30 10 IEEE COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)nc1 766417909 CIPIZCXCSXWTNH-LJQANCHMSA-N 441.557 2.290 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=S)Nc4ccccc4C#N)CC3)C2=O)n(C)n1 780764253 BZXTWFLNYRGYFV-IBGZPJMESA-N 437.573 2.110 30 10 IEEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)c1 784499044 GHLRXQMUMKVQHM-OTWHNJEPSA-N 425.514 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)C1 804160939 HDRRAMNCYTWMHN-JOCHJYFZSA-N 430.480 2.173 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916694102 RFFFSFUUULRUHI-CLCOLTQESA-N 449.577 2.268 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)N[C@@H](CC)CO)cc2)c1 1137440323 SWEAHBDJMFVUCJ-IBGZPJMESA-N 442.537 2.166 30 10 IEEE C=CCC[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OCC 1140930003 NYYZDLDMUGFQJJ-GAJHUEQPSA-N 425.485 2.142 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)c1 1155334196 ZWYREURVMRZKPC-IBGZPJMESA-N 426.494 2.415 30 10 IEEE CC(C)(CO)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1 1163443515 ZCPVGXNBVRQJRA-AZUAARDMSA-N 435.484 2.034 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1213276197 JLLHJSDHJJQVEH-LLVKDONJSA-N 436.299 2.472 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1219147810 AEPOCIQVLMHUGD-GFCCVEGCSA-N 436.431 2.320 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1221808208 QLNPSLAJVLXHAD-OLZOCXBDSA-N 436.358 2.345 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1235722739 AAQJOICBCWCIBO-LSDHHAIUSA-N 438.491 2.096 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1 1264688148 YXJSBEWPJWCOLU-SFHVURJKSA-N 432.480 2.076 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388307 NCDAWDKFSNJBBB-UYAOXDASSA-N 444.557 2.005 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCO[C@H]1CCOC1 1286406739 GNIDNBFQBNBFPA-QFIPXVFZSA-N 430.512 2.399 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC(=O)NCCc1ccccc1 1286411592 YLLRNRYHAMAEDB-UHFFFAOYSA-N 432.553 2.066 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286481220 SZKQXPPETMQEEF-REWPJTCUSA-N 427.524 2.322 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1286628456 AXVMTEBTRWIOLW-QGZVFWFLSA-N 446.964 2.131 30 10 IEEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286694214 OLPMVOAFAUXPEZ-UHFFFAOYSA-N 426.521 2.084 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1)C1CC1 1286738123 QNKDSIPHYMLNKU-IBGZPJMESA-N 449.552 2.148 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1COCCO1 1286740318 ISLWIUVPIKOCAW-HXUWFJFHSA-N 441.532 2.017 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cc(F)cc(F)c1 1286958995 CLRCWXRQDAAPMM-STQMWFEESA-N 426.493 2.005 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287149352 CAYQQEIEQRZRCG-DEOSSOPVSA-N 446.559 2.264 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1288775065 BSMLRCNUHQXVRR-PBHICJAKSA-N 434.591 2.292 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1293832698 ABHUYEPCFCWNKR-XMMPIXPASA-N 446.559 2.408 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1294879908 HTEXRHVRTFMSCL-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCNC(=O)OC(C)(C)C)CCOC1 1296527971 WLMGEYZHKYMGNP-IIBYNOLFSA-N 436.557 2.441 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1297468279 USRRUYGDJQJBAC-AZUAARDMSA-N 438.532 2.260 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300344640 GHCYRAMKVWAXEC-XLIONFOSSA-N 445.589 2.206 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300446000 BHEVIDNHYZOYFO-SJORKVTESA-N 448.980 2.267 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300489749 RQWWAODKLDOBQU-UXHICEINSA-N 427.574 2.056 30 10 IEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300504438 NNGSNRMBQMGTFA-MJGOQNOKSA-N 446.573 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1NC(=O)CC1(C)C 1300570092 XWMNKTDABYYVJX-HXUWFJFHSA-N 435.528 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300570531 QWSUUEHSBLWHSL-UHFFFAOYSA-N 449.536 2.286 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300964125 OVKSBNSXXWTQOQ-FQEVSTJZSA-N 449.515 2.071 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300991174 KUSSBOTUCJFXGY-MRXNPFEDSA-N 444.536 2.094 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301188788 NKHSDQLMYXLKOU-ZWKOTPCHSA-N 435.594 2.128 30 10 IEEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C)C1CC1 1301322416 IRDFZKKDTWSKST-UHFFFAOYSA-N 445.593 2.308 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1301384379 VDYBMHNVOCOYBQ-UHFFFAOYSA-N 431.504 2.145 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1301596045 GARITDQNHFZCCH-DENIHFKCSA-N 446.573 2.482 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(CN2CCOCC2)CC1 1301606370 OKEAZHLELFJJMH-UHFFFAOYSA-N 429.594 2.203 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OC 1302428384 IBEAWPOVOLNBBK-HOCLYGCPSA-N 444.937 2.035 30 10 IEEE C[C@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 1304555266 CGTWFYCAOXNSHS-NRFANRHFSA-N 443.345 2.310 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1304903026 DJDJKWFAMRWZBD-OYHNWAKOSA-N 436.541 2.453 30 10 IEEE CCCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306760011 XJEHCBZODQBWSU-UHFFFAOYSA-N 435.536 2.089 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC([C@@H](C)CO)CC3)nnc12 1306872269 NUVBWJLLZVSIDU-HNNXBMFYSA-N 441.557 2.189 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1353676806 DIFHMKWLEZYKGI-HNNXBMFYSA-N 430.505 2.009 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1358929503 BIUGATUUOUALGD-SFHVURJKSA-N 440.523 2.095 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1snnc1C 1359015261 NODGXVMOFDQMPC-UHFFFAOYSA-N 427.509 2.403 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1359023711 TXZHXETUFPGXHL-GOSISDBHSA-N 449.559 2.412 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2OCC[C@H]2C)n1 1359027958 BNOZVRQIUFEKMZ-SVFBPWRDSA-N 442.564 2.080 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCCC2)C1 1359049400 ODEYJPNITSEHRX-INIZCTEOSA-N 425.624 2.415 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359227524 DCPRVVDMFJCIBJ-KXBFYZLASA-N 431.487 2.455 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359298288 UJPUWJANSGCZAA-XLIONFOSSA-N 435.532 2.437 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccn2C(F)F)C1 1359313431 MDLSBSXSHNFNDL-MGPUTAFESA-N 438.479 2.351 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1Cc1ccc(C#N)o1 1360210154 NLESGUBWULBRIJ-QFIPXVFZSA-N 438.463 2.166 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCOC(C)C 1360215691 UPZKJWLVFBKFNI-UHFFFAOYSA-N 441.536 2.156 30 10 IEEE CC(C)OCCCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360379001 HVXXBOXKTUAPHT-UHFFFAOYSA-N 436.520 2.419 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1360478046 FDECLHGEWRNCIU-FXAWDEMLSA-N 426.521 2.251 30 10 IEEE CN1CCN(c2ccc(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cn2)CC1 1440906229 XOALUUFEBDSBMS-LJQANCHMSA-N 444.580 2.427 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1nc(N(C)C)ncc1Br 1458681915 HEJQLVVSMHSFSH-UHFFFAOYSA-N 427.266 2.318 30 10 IEEE C=CCn1cc(C(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)OC)nn1 1459959490 LBPXDOTZHMXDQA-OAHLLOKOSA-N 432.278 2.222 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(F)(F)c1ccc(F)cc1F 1471731148 WPJVEEJSNYITDS-LLVKDONJSA-N 429.395 2.411 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)n(C)c1 1471984307 UGWCAWUJMWRWMB-QGZVFWFLSA-N 444.561 2.039 30 10 IEEE C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1473824423 IMQYTYRIVFDSBN-CEXJFXJFSA-N 437.521 2.115 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1501406678 DXYZBBMPAPBKCW-LJQANCHMSA-N 431.500 2.348 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C 1504888050 HTEVOWHASUAJMH-LJQANCHMSA-N 431.562 2.098 30 10 IEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C1CCC1 1505151197 CFUVYDZIBGHFPM-LJQANCHMSA-N 444.561 2.047 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1507619464 MSEFYMORYGVCFB-MSOLQXFVSA-N 432.569 2.140 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(F)cn2)CC1 1507720956 KJZAHKUSMXAABZ-UHFFFAOYSA-N 436.491 2.300 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507750100 IQWMQJHXFIBLQH-MRXNPFEDSA-N 440.577 2.225 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1507896227 ARBIDPPMGMNFEY-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1508079558 YTOPCKSRLSQVEW-UHFFFAOYSA-N 435.532 2.174 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](OC)C1 1508136101 RPQSONMNGVEVAK-QGZVFWFLSA-N 442.545 2.161 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CC(=O)NCC(F)(F)F)cs1 1511518390 KQEHKEHRPUSFBN-UHFFFAOYSA-N 441.483 2.442 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC2CCOCC2)CCOC1 1516160805 GMRXCTISQZPMFW-QFIPXVFZSA-N 433.553 2.256 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1517625916 IEUVNEJHVRHSEG-HNNXBMFYSA-N 442.467 2.145 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)c(OC)n1 1518269227 AAJCOOZNVKKKIW-SFHVURJKSA-N 447.499 2.198 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1538031253 DKEVQOIQJBMQRA-UGSOOPFHSA-N 434.459 2.491 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1539068242 RIVTYROYULGBAY-UHFFFAOYSA-N 433.516 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc(-n2cccn2)cc1 1539290353 FWMLIXGGITWEGV-UHFFFAOYSA-N 429.528 2.308 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)C1 1539499903 QXAFQIVVIGVDTH-MRXNPFEDSA-N 433.603 2.408 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1539619021 CQOGXHUTRHNCLC-MOPGFXCFSA-N 429.546 2.279 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539998639 MLVKQLUINMOPJC-GOSISDBHSA-N 426.496 2.297 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1540129507 WHCLIYHJQMHOQQ-LJQANCHMSA-N 441.557 2.159 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCSC2(CCOCC2)C1 1540873461 YMOCMBLKEDCOMZ-UHFFFAOYSA-N 448.618 2.038 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1541105516 KDXRKUYBWJWIFM-CABCVRRESA-N 440.483 2.364 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1541984921 FZCBZLVQWRHOJD-ULQDDVLXSA-N 431.468 2.091 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC(C)(C)O1 1545059148 IOMWUVWOKOLXIU-HJPURHCSSA-N 438.532 2.211 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1545574239 HLOXPYUTCGATSF-ARFHVFGLSA-N 430.475 2.174 30 10 IEEE CCc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1546534461 DNMCMECPIOHVOY-UHFFFAOYSA-N 439.564 2.267 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)cc1OC 1555673201 ZFVGTSITGDFNFI-RHSMWYFYSA-N 435.912 2.441 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)cc1OC 1555673203 ZFVGTSITGDFNFI-YOEHRIQHSA-N 435.912 2.441 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)s1 1566190344 UFIGCUITMNIUFS-KRWDZBQOSA-N 442.603 2.332 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(n3cc(C(=O)OCC)cn3)CC2)c1 1569288502 AEQHUDOFLWWOOG-UHFFFAOYSA-N 443.525 2.334 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1584347992 NZFUYNNJIULPIV-KXBFYZLASA-N 434.512 2.210 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccnc1OCCOC 1587988646 ANSVBQKRMYGOBR-HXUWFJFHSA-N 435.484 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccnc1)C(C)C 1588180168 CEZNLMDOTLONCF-QUCCMNQESA-N 442.589 2.186 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1589006290 CXTZDOXNWSCEEJ-FQEVSTJZSA-N 433.541 2.495 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1589658365 ZNGFZFHFKQDTCX-GCJKJVERSA-N 430.574 2.417 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1593752279 GCZRHRZQNOGQPF-UHFFFAOYSA-N 430.528 2.452 30 10 IEEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1593777649 AZCQQEKHMVDVTR-GOSISDBHSA-N 440.357 2.360 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N(C)C)c2)CC1 1594192522 KEWMOEVVAZNPKF-MRXNPFEDSA-N 432.594 2.405 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H]1C)c1ccccc1 1594533309 BDLBMZWMDJJNEZ-ZIFCJYIRSA-N 433.578 2.473 30 10 IEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1 1594652124 YKKOHEQEQCZFPP-UHFFFAOYSA-N 426.569 2.490 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1594961552 CCQJLBFKQZGBTJ-LSDHHAIUSA-N 432.546 2.183 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1594963905 ZJQUHDGLCVAQEI-MRXNPFEDSA-N 441.504 2.025 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCc3ccccc32)nnc1[C@]1(OCC)CCOC1 1595595704 YDUJQLMVXIOMJD-XXBNENTESA-N 425.533 2.356 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1595715055 RKHOFZSJBGRVRN-LJQANCHMSA-N 433.516 2.267 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CCC1 1615922209 ICTJRSHSXJFYON-FQEVSTJZSA-N 449.559 2.228 30 10 IEEE CO[C@]1(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCOC1 1619062898 MYRLYBLFDVNFMK-FSNCLGKMSA-N 448.568 2.450 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@H]([C@H]2CCCO2)C1 1626557023 JKRVNUXOAATUQN-NZSAHSFTSA-N 430.505 2.030 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3C(=O)NCC(F)F)CC2=O)cc1Cl 1627777822 CRBVJGRYIAFRCQ-BBRMVZONSA-N 438.862 2.327 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1628204257 OQAXZMJUPXPEGX-LIRRHRJNSA-N 441.488 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268679 QTMSJPKKQKAWRW-IBGZPJMESA-N 441.532 2.018 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-n3ccnc3)c(F)c2)s1 1631022681 SUBKSTCEUBKQIT-UHFFFAOYSA-N 434.518 2.396 30 10 IEEE Cn1c(C(F)(F)F)nc2cncc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c21 1632533393 WBACDWLCTLJVRT-GWCFXTLKSA-N 438.410 2.476 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)cc1 1635809858 GHBZKSVJZXEFPZ-UHFFFAOYSA-N 429.317 2.100 30 10 IEEE Cc1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 1641204761 BZQUWOVBCXMWGK-UHFFFAOYSA-N 428.514 2.150 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@@H]2O)c1 1642291478 VIAHDZYVIZXSMO-MJGOQNOKSA-N 436.917 2.211 30 10 IEEE COc1cc(C)c([S@](C)=O)cc1OC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1643226447 BXRMOGIDOLLFHH-MHZLTWQESA-N 425.459 2.397 30 10 IEEE N#Cc1cn(CCNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)c(=O)nc1O 1646147430 HHHQETWAVWOYOV-UHFFFAOYSA-N 426.436 2.103 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1649674473 AEFSUPCCSJYQBY-UHFFFAOYSA-N 431.500 2.231 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC(c2ncc(Br)cn2)C1 1650695687 ZZKVAEWAYIOCHX-UHFFFAOYSA-N 440.305 2.329 30 10 IEEE COC[C@]1(C(=O)OC)CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1659566940 KIIRYGFIQDQFNI-FQEVSTJZSA-N 426.435 2.217 30 10 IEEE COc1cc(NC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)c(F)cc1C#N 1673761772 ASYPUMSFNJWKGZ-UHFFFAOYSA-N 439.494 2.009 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 1674060149 MDXGEBWZOOCHNT-CYBMUJFWSA-N 430.415 2.133 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCc4ccc(C(N)=O)cc4)CC3)n[nH]2)cc1 1677799769 GAMPEQBABOXSED-UHFFFAOYSA-N 429.484 2.079 30 10 IEEE C=CCN1CCC(NC(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1678693147 ZORIPFVJKRKVJK-KRWDZBQOSA-N 434.581 2.001 30 10 IEEE N#CC1(CNC(=O)NC[C@H](O)COc2ccc(I)cc2)CCCC1 1683745096 USEWKBABUZFZLJ-AWEZNQCLSA-N 443.285 2.414 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1 1684247187 LLXYRWPCMDQLCF-AWEZNQCLSA-N 445.449 2.476 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1689912875 CKFTYSYDTKOUAU-HLLBOEOZSA-N 437.591 2.330 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689986478 QUWUWQLOLDHKBS-APWZRJJASA-N 432.521 2.136 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1689993575 HFDURJGYHKORKK-FQEVSTJZSA-N 442.585 2.499 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1690059245 MKOQHLWELWDJFA-ZDUSSCGKSA-N 429.468 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)CCOC)CC1 1690148868 YCTVWIARNAGISU-UHFFFAOYSA-N 438.576 2.292 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC)CC1 1690316157 YJYAKAQEDCDUBP-UHFFFAOYSA-N 434.491 2.201 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2occc2C)C1 1690699903 KUKPEIXKJMBPKR-ZWKOTPCHSA-N 429.521 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(CC(F)(F)F)CC1 1690715066 BWGBNKCSQSNPRA-OAHLLOKOSA-N 437.532 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C)CC1 1690722923 AYYZRJDKRPJTKV-UHFFFAOYSA-N 442.545 2.431 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN(C)C(=O)OC(C)(C)C 1693491217 WBVMTSQLWDRFKM-UHFFFAOYSA-N 427.509 2.379 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)C[C@H]1C 1695804760 FXVVCFHWJWKPNT-RTBURBONSA-N 425.581 2.314 30 10 IEEE CO[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1697116079 AAZIFQUCIHSZFJ-GOSISDBHSA-N 434.548 2.297 30 10 IEEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS(=O)CC2)o1 1698488731 RXEKKNYDSQNTBH-UHFFFAOYSA-N 435.307 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(CCOC)c1 1705480354 QUOLFOMOIZNUTD-AWEZNQCLSA-N 446.353 2.395 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705507910 GOQDWCFMIKFMQU-HSZRJFAPSA-N 437.548 2.030 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705565763 VXTHFLXQMOLVNO-XMSQKQJNSA-N 428.558 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cc(F)ccc1N1CCOCC1 1705584388 ITQNWFKINSVYDL-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)nc2ccccc12 1705585494 UCFRKSBTEGXTKW-UHFFFAOYSA-N 428.496 2.078 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccs1)N1CCOCC1 1705626301 QIFVPJAWXNKILT-IBGZPJMESA-N 440.573 2.494 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2n[nH]c(C)n2)CC1 1705633218 LXXHFYOBMDTSQM-LJQANCHMSA-N 448.575 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C)C1 1705934323 IQUPNVWNSQMEGH-INIZCTEOSA-N 443.529 2.426 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705944270 ZXGOELNIWDVTJB-QGZVFWFLSA-N 441.561 2.040 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1705976327 LLKKQOSKPKWYRJ-LQBOVUBWSA-N 432.569 2.316 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1706639322 MKQMHQVZCCAYGA-GOSISDBHSA-N 432.532 2.237 30 10 IEEE C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCN1CC(F)(F)F 1708193295 FLPIYCSADAMXJH-ZDUSSCGKSA-N 432.410 2.321 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCNC(=O)C2CCC2)c1 1712877554 OIAIZDNEWKDRTI-UHFFFAOYSA-N 449.559 2.215 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCOCC 1722290966 HLVFMQXAXHJJSF-MJGOQNOKSA-N 425.533 2.459 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nncn1C 1722392656 QCHIWRXBJQHEST-UHFFFAOYSA-N 433.516 2.382 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NC(C)C)CC1 1722433119 LUZPPZTZHIDTCM-UHFFFAOYSA-N 446.502 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccnc2-n2cccn2)CC1 1722444423 JPKFSBWJMISAAI-SFHVURJKSA-N 446.559 2.386 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722528226 WZTPBYCXCRCGKK-IBGZPJMESA-N 430.597 2.417 30 10 IEEE C=C(C)COCCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1722536607 PTKVFSZXNHXUSO-GCJKJVERSA-N 430.553 2.250 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722579529 QNTUYHBEEYWDIG-UHFFFAOYSA-N 435.594 2.160 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1722638606 HNSMVLHRTZMLBS-DLBZAZTESA-N 438.532 2.398 30 10 IEEE CCN1CCN(c2ccc(Cn3c(-c4cnn(C)c4)nnc3N(C)[C@@H](C)CC#N)cn2)CC1 1728610100 WHQCJAPMEDZQKJ-SFHVURJKSA-N 448.579 2.002 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1729226862 BVKMKERAVWJIDI-IAGOWNOFSA-N 446.577 2.150 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1731129790 IGKFZOLCKWCBNM-UHFFFAOYSA-N 434.591 2.088 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1740531236 HUXRWTUSEOCMLB-JLTOFOAXSA-N 433.965 2.187 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1740625219 DVRFGCOCXYSBRI-FUHIMQAGSA-N 438.619 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1cccs1 1740644394 DOFKJCOYAHWSAW-QFIPXVFZSA-N 434.525 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C(C)C 1740646959 GFRBPHWXUATURL-QFIPXVFZSA-N 428.558 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ncn(C)n1 1740681124 XVAHBRZRCPSIMP-UHFFFAOYSA-N 448.300 2.110 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1740796001 KKACGKVZXFOYGM-QHCPKHFHSA-N 443.523 2.230 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740958338 NKAUUNCJXULJFJ-KXBFYZLASA-N 445.486 2.352 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1741640390 ZLWBGBAHSURWRJ-LJQANCHMSA-N 432.532 2.383 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1741697421 YALZTODRBOBKNL-KRWDZBQOSA-N 448.474 2.114 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741985473 YJADGSGTHAIHEW-QGLUGKIASA-N 439.520 2.176 30 10 IEEE C[C@@H]1CCc2sc(-c3nnc(N4CCO[C@@H](C#N)C4)n3CCOCCN(C)C)cc2C1 1743012527 GEGOSGNZUPESKK-AEFFLSMTSA-N 444.605 2.438 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCC(F)F 1748037932 JXALFNSKYSZCOI-UHFFFAOYSA-N 442.474 2.159 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCN(CC)CC1 1748657870 KLRAECKDSQXHMM-MOPGFXCFSA-N 438.576 2.405 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1748698423 VEEUJWJFFQREDV-QGZVFWFLSA-N 442.568 2.048 30 10 IEEE C#CCCCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748731090 TZLMNDJIAUELRJ-USTZCAOPSA-N 431.537 2.414 30 10 IEEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1748930729 WSPDLULHGHNUCM-MRXNPFEDSA-N 431.487 2.102 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1748962571 LJRZPYSHMREWRD-IBGZPJMESA-N 440.548 2.446 30 10 IEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)C#C 1749037938 KTIBDPDSXTULQS-DLBZAZTESA-N 433.578 2.411 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1749044448 QTDRLJFLWWUVMD-UHFFFAOYSA-N 438.601 2.424 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1749045145 WXNYGJNSRCYSSG-UHFFFAOYSA-N 439.632 2.014 30 10 IEEE C#CCSCCn1c(N2CCN(CC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749049691 OLSANUNKUZLKMU-QFIPXVFZSA-N 433.622 2.217 30 10 IEEE C=C(Br)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1749113317 YFSCLPZGWBYYPS-CYBMUJFWSA-N 439.358 2.251 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749228695 BVHARDRGZZOLOS-INIZCTEOSA-N 445.486 2.270 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749457514 MECYUKUHCLAVDM-IBGZPJMESA-N 430.553 2.302 30 10 IEEE COCCCN(C)CCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749702102 DGKHGCGRZDGXRU-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCOCC1 1749828138 UUWCTIWRROIGKP-INIZCTEOSA-N 433.944 2.081 30 10 IEEE CC(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1750808802 GMGFGFBHOMTTNF-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCO[C@@H](C)C2)n1 1751844755 BDLSPRSQZDWIAO-SIKLNZKXSA-N 444.559 2.083 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760180445 FQOBTOKRQZOOGB-SFTDATJTSA-N 429.590 2.296 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1760184508 JCXPORDRKDXXJH-IBGZPJMESA-N 441.557 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCN(C)S(=O)(=O)CC 1760197649 DFAJDPIBSLDYNM-UHFFFAOYSA-N 439.541 2.436 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1760198340 FUCSJNFNESQBFB-MRXNPFEDSA-N 443.910 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C(C)C 1760208758 IYFGSSKWJAVHIZ-UHFFFAOYSA-N 434.544 2.382 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1760232681 KQQFPWDJDDTIFC-SFHVURJKSA-N 433.560 2.383 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)C2CCCC2)CC1 1760263184 QPDZMMBGGOGQBX-UHFFFAOYSA-N 427.622 2.263 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCn3ccnc3C2)CC1 1760269667 AZGVIYISVNVYBF-GOSISDBHSA-N 437.592 2.292 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncn(C)n1 1760485890 UUCMOWHULQRZHP-HXUWFJFHSA-N 429.550 2.361 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1760529448 GVEKCQKURKIHKJ-IEBWSBKVSA-N 439.516 2.232 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760790004 RRGNKBIEEKOHLW-HDICACEKSA-N 440.504 2.293 30 10 IEEE CC(C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760945001 IKJBTRFBAWTKCA-XOMICKMZSA-N 436.520 2.134 30 10 IEEE COC1(C(F)(F)Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1768152257 SXRDETIEQJFVSV-OAHLLOKOSA-N 437.447 2.406 30 10 IEEE COCCO[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1770097249 HFMVSCWOGAXOMU-QRFRQXIXSA-N 445.520 2.147 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCOC(F)(F)F)cc1 1770735677 NHXCGNBOQIIBHG-CVEARBPZSA-N 434.422 2.458 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCO[C@H]2CCOC2)CCO1 1770746442 GEOKQFGNXBQVNO-ROUUACIJSA-N 449.458 2.471 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CCO1 1771537211 JRWDSMIMUNQCIN-LJQANCHMSA-N 426.496 2.043 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CC2)nnc1N1CCC=C(Br)C1 1771564219 AWDPUHALBDPCLR-BMRADRMJSA-N 433.310 2.171 30 10 IEEE Cc1ccc(C)c(CN2C(=O)N[C@]3(CCN(CC(=O)Nc4ccc(C#N)cc4)C3)C2=O)c1 1848451349 TWFWGMHQNAXSTO-DEOSSOPVSA-N 431.496 2.310 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1850250113 VRIDSSGXPQXGRF-SFHVURJKSA-N 447.495 2.068 30 10 IEEE C=CCC[C@H](C)C(=O)N1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc21 1850397531 HEPJHTOBOMVTCJ-ZDUSSCGKSA-N 439.921 2.235 30 10 IEEE Cc1c(C#N)cncc1NC(=O)CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 1852819315 AQVXCDYXWMLWIQ-UHFFFAOYSA-N 427.505 2.421 30 10 IEEE C=CCN1CCN(Cc2c(Cl)n[nH]c2C(=O)N2CCCC[C@@H]2c2nc(C)no2)CC1 1853407087 IDEKFOBABRYCSS-MRXNPFEDSA-N 433.944 2.426 30 10 IEEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)cc1 1853737275 KRGXDORWMQVNPW-FQEVSTJZSA-N 429.542 2.121 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1(C)C 1856054185 IRGORMVFXMLFDW-GOSISDBHSA-N 437.537 2.004 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1(C)C 1856109524 IDUVUBYTUVCLRB-GOSISDBHSA-N 437.537 2.004 30 10 IEEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)c1 1862605295 QHEOEZSTZUNMFU-OAQYLSRUSA-N 436.464 2.481 30 10 IEEE CCCN1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782878 MKLKQHNFYCGLCT-HKUYNNGSSA-N 431.606 2.084 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004517 CESRXOLQCWJRCU-GOSISDBHSA-N 429.546 2.387 30 10 IEEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN(CCOC)CCOC 1870569252 VHWCJWRMBFMZMW-UHFFFAOYSA-N 439.597 2.428 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccn1 1874335351 NMSWRSCVZWBKGO-PDYUXYPTSA-N 443.577 2.240 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060636871 COYCPYNEAKTUAJ-UHFFFAOYSA-N 432.330 2.265 30 10 IEEE C#CCn1ncc(Nc2cnc(CNC(=O)OC(C)(C)C)nc2)c(Br)c1=O 2199638829 BWEBDIXQBWFOMY-UHFFFAOYSA-N 435.282 2.197 30 10 IEEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CC#N)Cc2ccccc2)OC1(C)C 2243417263 MTGZIKWFGWSKKH-UHFFFAOYSA-N 433.364 2.298 30 10 IEEE CC[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243423341 XLIKPUURGIJGJU-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247863483 RTRZYEILBBJOAV-UHFFFAOYSA-N 440.371 2.318 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255540488 NQYHENYGUBGHHC-SFHVURJKSA-N 426.322 2.031 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)n1 2255636131 QDLLWLOUNXOOIK-CQSZACIVSA-N 436.362 2.187 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255697347 HACYOBMOTUQARY-CVEARBPZSA-N 429.326 2.215 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)co2)OC1(C)C 2255818292 JFMVCVFXBDMSME-GFCCVEGCSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)C[C@@H]2[C@@H]1CO 2255823364 UFHOPXWWYWKKEO-JYJNAYRXSA-N 436.358 2.299 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256681511 MFVRBFUHUWZFIQ-IAGOWNOFSA-N 435.374 2.374 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2256925053 YUBVOAXXZICVIX-KSSFIOAISA-N 429.278 2.367 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007748 AVRAYZZFKAISJB-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267129277 ZFTMJBZBHVUOBP-MRXNPFEDSA-N 448.373 2.235 30 10 IEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142686 XMMWSAMGALIPKS-ILXRZTDVSA-N 446.357 2.036 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2267152259 MBKYSQXBFCBJNS-HOYKHHGWSA-N 436.365 2.032 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2267152755 ORDNCGNOWCPDCN-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 2267162118 LGBQLQPDISXNIJ-IBGZPJMESA-N 438.381 2.454 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267185332 UGYMAYPPCWWKPR-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 2267491035 XAHIDPBIQGZAQO-XMMPIXPASA-N 438.381 2.361 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)n1 2267493846 AHCYSVJPLBATMK-ICSRJNTNSA-N 436.365 2.066 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268647986 UQHGPMPPUBDVDE-HOTGVXAUSA-N 447.341 2.201 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc2c(c1)OCCO2 2329826485 LFSOEQRCXVDVQH-UHFFFAOYSA-N 427.461 2.239 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 2337187195 BUUMZBOPTHDXNJ-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1C 2337398037 KIJIBDCADCQICA-VQIMIIECSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578264 DVKZTSLOPJPQMQ-ZHACJKMWSA-N 449.357 2.386 30 10 IEEE COc1nc(N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339787313 YPOZLIYTSXKEDF-STQMWFEESA-N 443.275 2.425 30 10 IEEE Cc1nc(S(=O)(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c(Br)n1C 2342572602 GUQHHRWAPQZMNK-LLVKDONJSA-N 434.165 2.348 30 10 IEEE CC1(NC(=O)OCc2ccccc2)CCC(O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365201539 AADJQSITVBSNJF-UHFFFAOYSA-N 435.542 2.372 30 10 IEEE COc1ccc(OC)c(NC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)c1 9529999 GPBSAGOWTROENY-FUHWJXTLSA-N 447.538 2.446 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)c1O 21318975 BKFAIXDHGSMGHC-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2[C@H](O)Oc4cc(OC)c(OC)cc4[C@]2(O)C3=O)O1 31163268 XIEXZMWPZITEKI-UXVKIGTPSA-N 426.421 2.126 30 10 IEEE biogenic N#Cc1cccnc1N1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 105819850 DJYHDISUDVAUEZ-UHFFFAOYSA-N 439.541 2.137 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 108263212 XVCVCIDCEZGYHD-UHFFFAOYSA-N 447.582 2.248 30 10 IEEE COc1cccc(C=NN2CCN(c3ccncc3S(=O)(=O)N3CCCCC3)CC2)c1 252623794 OZGUBQHQKJKTEI-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 254692805 YWXNOQPKWCDLBH-QFBILLFUSA-N 444.534 2.255 30 10 IEEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460786037 IGPAPAUOPMQNIY-UHFFFAOYSA-N 431.499 2.042 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCc4ccnc(O)c4C3)n2C[C@@H]2CCOC2)cc1 461609784 BJKSQOVWNXDJEW-KRWDZBQOSA-N 432.484 2.429 30 10 IEEE CC[C@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479508446 FUDSJDXPNYRMPU-SFHVURJKSA-N 431.489 2.388 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CN2CCCCCC2)C1 481437842 WEIHCZSGFCAESV-UYAOXDASSA-N 432.590 2.340 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)c1 505160165 NBKAIRKHKCAGNW-UHFFFAOYSA-N 427.501 2.403 30 10 IEEE COc1ccc([C@@H]2CCCN2C(=O)CN2CCN(c3ncccc3C#N)CC2)c(OC)c1 506937633 RPGNEOIKAJXRHW-NRFANRHFSA-N 435.528 2.456 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)nc1 544882596 QCZSIRGCVVZDGC-UHFFFAOYSA-N 431.500 2.442 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@H](C)C1 558991231 GARUIGFFGPQCEO-LJQANCHMSA-N 440.596 2.185 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)CCC1 567001263 NKMMAILADSVETG-UHFFFAOYSA-N 435.575 2.372 30 10 IEEE C=CCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(F)(F)Oc1ccccc1 584682591 BFOQDASPZBEPLS-UHFFFAOYSA-N 441.504 2.358 30 10 IEEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCc3ccc(C#N)cc3F)c2)CC1 609254276 NRWVOOMGEQXCRA-UHFFFAOYSA-N 445.520 2.345 30 10 IEEE COC(=O)c1csc(S(=O)(=O)N2CCN(c3cc(C#N)c4ccccc4n3)CC2)c1 609890847 TYGYMJZPSAMKNS-UHFFFAOYSA-N 442.522 2.465 30 10 IEEE Cc1ccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc1S(=O)(=O)NCC#N 609993385 GATCKNTVKICMHO-INIZCTEOSA-N 429.502 2.425 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(c4nnc5n4CCC5)CC3)C2=O)cc1 611564551 ZHTZUMSRLARCAD-IBGZPJMESA-N 433.516 2.181 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCO)c1 703974641 PYTUVDBIJLVIBJ-UHFFFAOYSA-N 426.494 2.095 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 726575670 XRDQIULELFZCOU-DOTOQJQBSA-N 442.585 2.159 30 10 IEEE CC(C)[C@@H](C)NC(=O)C1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726592574 PFENKDBVMWVLLT-QGZVFWFLSA-N 425.533 2.153 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(C#N)nc3)cc2F)C[C@@H](C)O1 734601669 JKEZGURXLAEGSK-GASCZTMLSA-N 426.448 2.179 30 10 IEEE N#C[C@H](C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(-c2c(F)cccc2F)cs1 744073268 CEJNQDVXJFGBDV-PUWCSKHFSA-N 443.431 2.427 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)NCCNc2ncccc2C#N)C1 745773833 AEBAVUUCQPDEJW-OAHLLOKOSA-N 426.443 2.198 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1ccon1 747448074 IRKMCEWZHVPRFU-INIZCTEOSA-N 433.453 2.497 30 10 IEEE COc1cc(C=NOCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc(Cl)c1OC 749780825 YWMWAYKRJIQELC-MRXNPFEDSA-N 427.929 2.181 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C)c2)C1 760300149 BAOSUKIRESWTMP-ROUUACIJSA-N 443.573 2.399 30 10 IEEE C[C@H](CC(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772625156 NUHSYGIOJWTSHU-MRXNPFEDSA-N 435.546 2.007 30 10 IEEE C[C@H](NCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1cccc(C#N)c1 775338010 NQVCQBCDHYWFDV-XZGNNNQISA-N 438.553 2.354 30 10 IEEE COc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)ccc1F 788054556 QHVKXGLQMXVPSO-DYTRJAOYSA-N 441.506 2.448 30 10 IEEE C=CC[C@@]1(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCCN1C(=O)OC(C)(C)C 790292276 AJUSVKMZYVVHFC-QFIPXVFZSA-N 429.521 2.302 30 10 IEEE C=CC[C@]1(C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCCN1C(=O)OC(C)(C)C 790473366 NVTSBLXKNMRXAW-MRXNPFEDSA-N 431.540 2.194 30 10 IEEE Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798740869 DHWQSWVBDZUGHC-MRXNPFEDSA-N 446.467 2.131 30 10 IEEE C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807948955 ATXDCWOHHTVSKR-GWCFXTLKSA-N 433.397 2.473 30 10 IEEE CC[C@H](C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1130359312 JTJVNFMSHJCHES-KXBFYZLASA-N 435.546 2.053 30 10 IEEE Cc1cc(Br)ccc1SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134645624 PZWDEURJKRDHOO-BLLLJJGKSA-N 429.361 2.246 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)c1 1136426014 HOIXSVDFTZPLBT-UHFFFAOYSA-N 429.429 2.024 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)s1 1137972770 FTYFQIHTDVIVLY-OAHLLOKOSA-N 432.926 2.397 30 10 IEEE CC(C)(C)OC(=O)C1(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCOCC1 1143043585 JTZMQIABUDPADY-UHFFFAOYSA-N 425.489 2.194 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(C)c(S(N)(=O)=O)cc3C)ccc2c1=O 1154466203 HXZWBXIZJSXTND-UHFFFAOYSA-N 444.538 2.388 30 10 IEEE N#Cc1cccc(C2(NC(=O)CSc3ccc(S(N)(=O)=O)cc3)CCOCC2)c1 1167196652 LDDNFMAGPCAPFH-UHFFFAOYSA-N 431.539 2.120 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cs1)C(N)=O 1171843483 NMMLOLVPEGSSRM-QGZVFWFLSA-N 447.561 2.401 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1171931726 QGHNVOASPFBZRS-APHBMKBZSA-N 435.443 2.368 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1 1181755029 BZEFHJMTXBRLCG-IRXDYDNUSA-N 441.525 2.228 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 1181858926 FHQWURKXTHTYEI-SSEXGKCCSA-N 429.546 2.135 30 10 IEEE Cc1c(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cccc1S(=O)(=O)N(C)C 1206274178 CNSREBDCLBSLOY-MRXNPFEDSA-N 429.502 2.197 30 10 IEEE CN1CCN(CCC(C)(C)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1211554737 DEWXQXVJVHBALM-UHFFFAOYSA-N 447.374 2.154 30 10 IEEE CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(CC(F)(F)F)CC1 1227632886 QYXLRXIITXTERY-GOSISDBHSA-N 437.466 2.327 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]([C@@H]3CCCO3)C3(CO)CCC3)C2=O)cc1 1234022962 CRADNVMKXXXHHK-SLFFLAALSA-N 426.517 2.063 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286304028 UBYPEEIUDIMBHN-UYAOXDASSA-N 437.544 2.383 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1286383673 MZSGEPVWLOEYBI-KRWDZBQOSA-N 434.949 2.262 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1286391257 DGRMAEKOMQGPGU-MSOLQXFVSA-N 448.976 2.305 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)CCCN2C 1286402325 YMRJYKRRWDGJOJ-VWLOTQADSA-N 433.556 2.434 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1Cc1ncnn1C(C)(C)C 1286468897 NBOWSVLXRIZWKO-UHFFFAOYSA-N 441.511 2.477 30 10 IEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1286496690 IIUYIJSGXKUMDA-HXUWFJFHSA-N 441.601 2.481 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286646477 RRNWLTHRGPHBCP-KKSFZXQISA-N 434.537 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286787323 RMFVLTZBAQCMLA-QGZVFWFLSA-N 449.559 2.470 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCN(CC)CC2)C1 1286803595 FFAKVSQDXIXSRR-UXHICEINSA-N 427.597 2.091 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CCN1CCOC 1293559950 GSVCSAOFDDAVNM-OAQYLSRUSA-N 434.548 2.146 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1CSC 1297760626 STMITBIVRQQGJW-GOSISDBHSA-N 448.618 2.478 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl)C(=O)OC 1299179349 PTYVPGKSVAATKY-AWEZNQCLSA-N 435.329 2.222 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc(Cl)c(I)c2)c(=O)nc1O 1299709754 GOAMTROBIQDTHX-UHFFFAOYSA-N 444.616 2.107 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)c1cc[nH]n1 1300564542 XJLLCALACHLSBO-UHFFFAOYSA-N 427.468 2.307 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1300620833 GYTLRUDSFUYYTH-MRXNPFEDSA-N 426.487 2.353 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1300700270 NQFNXJWFKBXAOY-PXNSSMCTSA-N 444.530 2.118 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300765198 ASKYUTPYXYVKRW-ROUUACIJSA-N 428.514 2.358 30 10 IEEE COC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1301022951 HVXMUPKXCDPNDW-HXUWFJFHSA-N 439.564 2.265 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2F)CC1 1301497623 ZBNMXDLJKKTUEF-UHFFFAOYSA-N 435.507 2.416 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301529373 LLOJGFNLPUOJRZ-KRWDZBQOSA-N 435.532 2.349 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1301558461 VWPURFPHOFAEAI-IYWMVGAKSA-N 433.597 2.451 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OC(C)(C)C[C@@H]2O 1304257294 ZHPQNMYLIMNUBF-ACJLOTCBSA-N 429.498 2.458 30 10 IEEE Cc1nccn1CCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1304707751 PDBJTZIQRMSMKL-LEWJYISDSA-N 431.516 2.356 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC[C@H]1OC 1305466871 MNUUIUPTGFEREV-YZVOILCLSA-N 426.521 2.378 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1 1307237576 DWWMNGVZWBWMIT-XMMPIXPASA-N 430.464 2.490 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCn3nc(C(F)(F)F)cc3C2)C1 1312469795 LYMJDHLLJAWCQT-YPMHNXCESA-N 428.415 2.186 30 10 IEEE CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1313688387 LLVOILZHKWIDEA-IDYLYPCZSA-N 438.488 2.163 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315811471 HALLHNKKGINKKU-FUHWJXTLSA-N 444.511 2.123 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(N)=O)c2)C1 1316532601 RKFWUJFBIZGBBN-OAQYLSRUSA-N 440.504 2.285 30 10 IEEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(C#N)cc1 1350336468 BNIPHFOZSVQPFU-UHFFFAOYSA-N 442.497 2.277 30 10 IEEE COC(=O)CNC(=O)Cc1ccc(NC(=O)Cc2ccc(Br)cc2C#N)cc1 1350539413 XAKMKMMXUUOKDV-UHFFFAOYSA-N 444.285 2.334 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1351270052 AATLSSUWYVNXTK-UHFFFAOYSA-N 440.525 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1358885989 VLNGMJJFEOSAGO-ZDUSSCGKSA-N 434.529 2.341 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1358959296 GGRZLXAXVZMCIO-FQEVSTJZSA-N 429.590 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C)n(C)c1=O 1358995710 CBSVCNJVUIAYRL-UHFFFAOYSA-N 439.523 2.035 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC(O)CC1 1358998208 VQBROEKRVQCRTP-UHFFFAOYSA-N 439.535 2.306 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nc(C)cs1 1359023762 VRXFCROBPQHRRQ-UHFFFAOYSA-N 435.513 2.493 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)N(C)C)CC1 1359030726 CYTOXMPWVYHBSF-GOSISDBHSA-N 446.397 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCC2(C)C)CC1 1359040105 IIUBSJIPEGMEOF-LJQANCHMSA-N 440.592 2.306 30 10 IEEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359205062 KJFJEBFXHSSFPS-KRWDZBQOSA-N 443.577 2.463 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1359270637 XIJVAAVGCCIEMT-UHFFFAOYSA-N 433.516 2.168 30 10 IEEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1359307815 VUNIHNPPDYMWDM-UHFFFAOYSA-N 431.562 2.287 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)C1 1359313200 IHRGXJSPGUSRMI-INDMIFKZSA-N 433.553 2.392 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C(C)C)C1 1359324521 MJFCQUDFQQNKTE-KKSFZXQISA-N 433.578 2.458 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1359337157 KWZPWILCJBMZBI-NVXWUHKLSA-N 443.639 2.203 30 10 IEEE CC[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1OCC(=O)NC 1441756582 WYSJTQWOGIEHJJ-GOSISDBHSA-N 447.488 2.129 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 1442496524 KVFRCIWLCBMINU-UHFFFAOYSA-N 429.471 2.327 30 10 IEEE Cn1cc([C@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C2(CO)CCC2)cn1 1450105420 DPNMAIQQNVMKOY-FQEVSTJZSA-N 430.549 2.391 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1450329904 UQVHSSVJVUNGPL-OAHLLOKOSA-N 434.436 2.390 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 1452260291 OOGAQYLVZVQUDL-JTSKRJEESA-N 441.553 2.415 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ncon2)C1 1456012622 FKQZTLVHZIAYLI-OAHLLOKOSA-N 431.518 2.075 30 10 IEEE C#C[C@H](NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccc(Br)cc1 1460789976 SVRRQSMGEUJTBR-HNNXBMFYSA-N 447.285 2.435 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1465942300 HJUQEDYEMKGNFW-FUHWJXTLSA-N 425.489 2.494 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#C[C@H]2CCCCO2)cc1 1472319621 QAXZLBMMRBDIGH-TZIWHRDSSA-N 432.542 2.121 30 10 IEEE C=CCn1cc(CNC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)nn1 1478855291 IRFPZVSGMUJQMP-IAGOWNOFSA-N 436.438 2.210 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1 1494126622 BXIRCMVFWYXFQX-QGZVFWFLSA-N 438.532 2.212 30 10 IEEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1500150061 GXVDOCLSKVRYFD-IBGZPJMESA-N 437.548 2.362 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1503232606 MNZDNWPHYYRTLU-UHFFFAOYSA-N 428.518 2.200 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1507547908 YPDXPSGIQKBWSM-SFHVURJKSA-N 428.556 2.480 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1507734098 GTASAZNFPRRQJW-OAQYLSRUSA-N 432.528 2.208 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1507959117 HNGHMFPTXXFALY-QHCPKHFHSA-N 441.532 2.414 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C)C1CC1 1507989021 VHOCIVJJBLOZGD-VFNWGFHPSA-N 432.546 2.043 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1508024517 KTCRAXBDPGIPLW-HXUWFJFHSA-N 440.573 2.197 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1508181893 LEFQVMAKVIHUJR-UHFFFAOYSA-N 440.548 2.338 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1512436216 VPRCOKKLORWDOO-PLGXQAJASA-N 441.561 2.140 30 10 IEEE CCNC(=O)C1(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1515980420 VZBUIJHEOFUBLB-HXUWFJFHSA-N 431.541 2.382 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCC(F)(F)F)CCO1 1521136353 DDEHKBRBFCSRMG-GFCCVEGCSA-N 428.440 2.341 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 1535349620 IVIWRLKVZKIQFJ-PXAZEXFGSA-N 428.855 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1537805925 DUSGBSATAMZDDY-GBESFXJTSA-N 447.557 2.202 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539085608 NVNPSVDTACLEKK-QGZVFWFLSA-N 427.578 2.267 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539213018 ZSVMGUXBCIISSE-FQEVSTJZSA-N 437.569 2.461 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1539327843 GSWZPVVHDVKCQO-UHFFFAOYSA-N 448.615 2.366 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1539338456 URICLZKNENXCOG-UHFFFAOYSA-N 436.560 2.167 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1540126494 HWTBXWMRDUSJMY-JOCHJYFZSA-N 441.557 2.026 30 10 IEEE COc1cccc([S@@](=O)CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 1540714243 UQCQBUYXHFRMMG-HKBQPEDESA-N 437.525 2.191 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1541161933 VDBYJGHKIAGDRW-QGZVFWFLSA-N 428.512 2.328 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1541803266 FRFKHNRVEIJMIT-MAUKXSAKSA-N 444.561 2.151 30 10 IEEE Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1542986351 ITBYVTUVNOZAAY-UHFFFAOYSA-N 432.532 2.404 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1545877662 IYEYTHPKBPOVCP-BULFRSBZSA-N 448.543 2.367 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)C 1555752270 BXADMAOUCPMLIT-AOIWGVFYSA-N 440.552 2.035 30 10 IEEE C[C@@H]1CN(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)C[C@@H](C)O1 1556447133 BKIKQDYSAKDITJ-ZIAGYGMSSA-N 432.477 2.384 30 10 IEEE CN1CCC[C@H](N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)C1 1565741958 TZSSGPSIPOMOIL-ZUKXXSLGSA-N 445.608 2.012 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC(Nc3cccc(C#N)c3)C2)s1 1586078529 FIGRAMRQCIWXSB-SFHVURJKSA-N 430.555 2.404 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCSCC1 1588094208 UVXBJXOENOHINH-UHFFFAOYSA-N 431.569 2.457 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC(C)C)CC1 1588806100 GKYFNTDNSCCUGP-FQEVSTJZSA-N 436.560 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588891202 NDERHQKHAZEUBB-APWZRJJASA-N 444.580 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOC(F)(F)F)CC1 1588913189 BLYJWJCRXFGASL-UHFFFAOYSA-N 436.438 2.232 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1589117200 VKBOTKHKYAPOSF-UHFFFAOYSA-N 430.534 2.416 30 10 IEEE C#CCSCCn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@]1(OCC)CCOC1 1589126275 ZDBYKYCSNQSWAG-QFIPXVFZSA-N 444.605 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595529806 IINBWBFBNLOTPN-LJQANCHMSA-N 449.563 2.076 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1595537624 UJOQOQYJLNSUPT-UHFFFAOYSA-N 433.472 2.434 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1595569599 KELZWKYNZQOYAZ-LJQANCHMSA-N 449.559 2.444 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1603027553 QRWKEQGIHGBDHL-LJQANCHMSA-N 443.573 2.239 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1612292175 LLHYRXBCUXRZLK-JOCHJYFZSA-N 445.589 2.369 30 10 IEEE Cc1cccc(O[C@H](C)C(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1 1615506038 VCURZQMXPVWRDX-HXUWFJFHSA-N 445.519 2.206 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CCO2)cc1 1617919136 ZJIIWRCSMCPFMN-SJLPKXTDSA-N 431.539 2.059 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1624679126 FLODQRHLPJTVIU-OAHLLOKOSA-N 442.541 2.326 30 10 IEEE CCn1c(=O)nc(O)c2c(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc(C(C)C)nc21 1628661756 AUMPKJIZNZGOHM-GOSISDBHSA-N 435.484 2.318 30 10 IEEE COC(=O)C[C@@H]1CSCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1629894032 AJELQOQPCORQBN-OAHLLOKOSA-N 438.347 2.264 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 1630291368 NGIGNRGQVVZWIQ-CTNGQTDRSA-N 427.526 2.318 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1634589301 YXIOPCYZIDBJGV-CTWPCTMYSA-N 426.517 2.469 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccco1)c1ccccc1OC)c1cc[nH]n1 1638273275 TYVSTOLFJNDFKH-LJQANCHMSA-N 426.429 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1639340989 LWZDRIKCKRZRDW-INIZCTEOSA-N 432.496 2.012 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1639968304 FYVGCORGPLYNBR-ZDUSSCGKSA-N 448.463 2.176 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCC#C[C@@H]3CCCCO3)c2c1 1640375843 ZSUKYGUUPFRGJB-INIZCTEOSA-N 445.541 2.273 30 10 IEEE Cn1nc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C1CC1 1645389564 CLYMURJFUTTXGK-UHFFFAOYSA-N 429.546 2.213 30 10 IEEE C#C[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C1CCOCC1 1645988365 ZSGIIJHEQPEZIU-ZWKOTPCHSA-N 431.537 2.398 30 10 IEEE CCOC(=O)[C@@](C)(NCc1c(C#N)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 1654303488 UKJBAJCWZZTZEU-FQEVSTJZSA-N 431.470 2.438 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)c1 1674212886 AFIUBLVYDRBUTA-UHFFFAOYSA-N 430.461 2.091 30 10 IEEE COC(=O)c1nc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1Cl 1674276335 BHBZWLIGUSDPMJ-UHFFFAOYSA-N 427.892 2.421 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(=O)OC)C4)C3)cc21 1680805909 FKVUPHPVJHGHGR-LBKMDBTOSA-N 446.529 2.243 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](O)c3cc(F)c(F)c(F)c3)C2=O)cc1 1682226621 NJPMDXHCAZUPSJ-ROUUACIJSA-N 432.402 2.109 30 10 IEEE C#CCC1(NC(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CCOCC1 1682547563 FNIXNLTWXZVJQM-SFHVURJKSA-N 447.601 2.487 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)c1 1683042977 ZERQXFDMCHKTPI-UHFFFAOYSA-N 430.530 2.215 30 10 IEEE C=CCOCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1684155806 NWJUVFCKXNSRND-QGZVFWFLSA-N 426.558 2.078 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1684863131 ICCOQUDBGMDTPD-OALUTQOASA-N 426.517 2.047 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1689955541 LTCUQTOOJAKPLR-LSDHQDQOSA-N 427.468 2.089 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 1690241138 PAELTYCRUSGYCV-FTRWYGJKSA-N 441.532 2.255 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1690578125 RBAXBZMNTNSACT-AEFFLSMTSA-N 430.578 2.204 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1690580724 DWIFMCCPKOKHBO-FQEVSTJZSA-N 440.596 2.433 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1690642215 BXCVAZVXIOBHEB-UFYCRDLUSA-N 430.597 2.332 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690655353 QGGPWDSUZZRGKN-ZVZYQTTQSA-N 435.550 2.033 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC([C@H]2CCOC2)CC1 1690720245 CPGODDPJMUCSTK-SFHVURJKSA-N 431.562 2.194 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](SCC)C1 1690724294 LOHFYKUPCFRALT-SJORKVTESA-N 428.624 2.495 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1Cc1ccc(C#N)o1 1692771953 AFGXDWXVMPESSR-LBTBCDHLSA-N 432.550 2.416 30 10 IEEE Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)n[nH]1 1693363848 AFAMFTUADSIJIH-UHFFFAOYSA-N 434.552 2.129 30 10 IEEE CO[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1697143580 DUJIBHVSZSNQJA-QZTJIDSGSA-N 433.472 2.042 30 10 IEEE COCC(C)(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1697720478 HYXDBNKLHQWQLM-INIZCTEOSA-N 446.577 2.451 30 10 IEEE N#CC1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1698489936 DJEIUUAPSZCYEW-SFHVURJKSA-N 431.491 2.436 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(CC(C)C)CCO1 1705500661 ROXMLBFGCQHCLJ-ZWKOTPCHSA-N 444.605 2.084 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC[C@@H]1CCOC1 1705582955 NLGAHMXHAKPPQI-UGKGYDQZSA-N 436.512 2.307 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@](=O)C(C)(C)C)CC1 1705634384 UAHQYYMGXXFOOL-PMERELPUSA-N 429.590 2.256 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)Cc2ccccc2)CC1 1705642183 JOUIIXNGWBVBMO-UHFFFAOYSA-N 446.603 2.027 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NC(C)C)CC1 1705643295 ZYSXSVRZAIGPJF-UHFFFAOYSA-N 426.590 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1705700877 ZQBCUSWFNGIACC-YRXWBPOGSA-N 438.594 2.167 30 10 IEEE C=C(C)COCCn1c(N2CCN(c3cncc4nc(C)nn34)CC2)nnc1C(C)(C)C 1705740122 BTOGTNGNIRXWMK-UHFFFAOYSA-N 439.568 2.241 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1705903180 QZEDPDVLSXPGJM-HZPDHXFCSA-N 431.924 2.395 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCc2c(ccnc2O)C1 1705907330 IRTAWIQKWPUJPJ-UHFFFAOYSA-N 432.528 2.419 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CCOC2)C1 1705908321 NQIVFYOZYVHXCE-QHCPKHFHSA-N 441.532 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](c2ccccc2OC)C1 1705936339 OVTMMUNTWGNGSL-ZWKOTPCHSA-N 446.573 2.385 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1706601117 CYSQEKMCQFHBKL-PGRDOPGGSA-N 430.553 2.275 30 10 IEEE CCN1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710300602 FEHRRTHZFLBNAK-HSZRJFAPSA-N 443.546 2.478 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1710924040 QMAKHPSQHJMZOD-HZAQMHFWSA-N 428.562 2.096 30 10 IEEE CN(C)C(=O)CCn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710983007 ODIQUTPRQMMZCE-UHFFFAOYSA-N 449.490 2.021 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCC[C@H]1C 1722275738 BFPXBMIATWYPAA-BFYDXBDKSA-N 430.578 2.430 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722319292 KCXHNLMHNUHFQY-HXUWFJFHSA-N 442.589 2.072 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722329991 OTZDAOYOVIODBS-JOCHJYFZSA-N 425.489 2.407 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1722336286 KKTPZYLNRBQNBR-SFHVURJKSA-N 428.562 2.155 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1722349984 IHKXEEIQWLOWJH-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)c2ccccn2)CC1 1722431180 NDDLIJGWSRQWIZ-IBGZPJMESA-N 426.565 2.130 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCOc2ncccc2Cl)CC1 1722435858 VWQOPXXTGWXLPU-UHFFFAOYSA-N 425.924 2.166 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722634475 PGEMHNGUJVFCRF-LIRRHRJNSA-N 440.953 2.243 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722693786 AFGGAQHQWSNMCB-KRWDZBQOSA-N 429.521 2.171 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)OC 1727955073 AZGJSPGSMZJACO-LPHOPBHVSA-N 426.521 2.211 30 10 IEEE CCOCc1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1728979591 OIBDVTIXNHBXMC-QURGRASLSA-N 449.515 2.459 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1730763655 JIZIHFUMLQBREP-QHCPKHFHSA-N 435.532 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(N(C)C)CCOCC1 1740644208 WULSBSZNYBUEKB-UHFFFAOYSA-N 437.544 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCc1c[nH]nc1C 1740658872 QWUGIZBKTIAEDB-UHFFFAOYSA-N 435.557 2.397 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCN(C)C1 1740679429 YRSRGQVUCVMDGU-XMMPIXPASA-N 434.519 2.109 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)CC1 1740691810 NMGBQSHCTPXUGL-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1740838704 WHMWMGKSOAUPGV-IEBWSBKVSA-N 440.523 2.115 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740970785 CNDHNNPTYRIQLH-RBUKOAKNSA-N 425.533 2.485 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccc(C)c2)C1 1740979874 GOADATOVEFOCNE-PMACEKPBSA-N 425.533 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@]2(CCSC2)C1 1740990981 LHNYQMQQOZXKFG-QFBILLFUSA-N 426.608 2.454 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1744258315 WYHHHOBQLLVASB-DHIUTWEWSA-N 438.532 2.212 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1748229080 GXKVZDASSOHDLK-UHFFFAOYSA-N 449.559 2.215 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748809639 VGIBFNUBQVMDMR-GOSISDBHSA-N 432.546 2.290 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748930763 XUQMCGUULWGOHY-IBGZPJMESA-N 431.544 2.392 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748962140 ASPXQFSWHLNIDW-PMACEKPBSA-N 449.621 2.226 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1749068003 ZRVBAPXWWSJPBE-OXJNMPFZSA-N 449.602 2.123 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN(CC)CC)C1 1749108987 AJMBMTJBHKOCHP-INIZCTEOSA-N 439.402 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 1749131764 VKCYBYZWVXKLMM-ZACQAIPSSA-N 440.635 2.493 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1749499799 NVSNWTAFVWBXAF-JOCHJYFZSA-N 435.576 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749664695 XGRDSPBDYYHLPB-JOCHJYFZSA-N 444.967 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1749739635 ICTHMFOBHNNPGW-LJQANCHMSA-N 437.472 2.039 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccc(C2OCCO2)c1 1760250679 NIDAGMFSQBTBBP-UHFFFAOYSA-N 433.512 2.444 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(C)CCOC)CC1 1760259129 YXVWSWNOSCIFGT-UHFFFAOYSA-N 430.984 2.322 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)NC)CC1 1760285875 UBPCROQOHZQAMM-UHFFFAOYSA-N 427.574 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1760289864 SPXOLQXJJVVHHG-LLGFUMIMSA-N 436.626 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760335650 PFYADSLJXJUSJM-XLIONFOSSA-N 441.580 2.401 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760357110 DYKJATFYOYDZTB-PMACEKPBSA-N 430.553 2.093 30 10 IEEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCOCCS(C)(=O)=O)CC1 1760400394 ZJNBDNUNHMQHID-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1760455876 BKPKSSHYTNEQEQ-OAHLLOKOSA-N 434.566 2.275 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760465691 PUZSRMRDLJQJNU-RTBURBONSA-N 430.578 2.090 30 10 IEEE C[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1762904570 NUDXLCOHZVODQM-WFJJUKAGSA-N 428.537 2.325 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1763927610 LLIDIXAOHHIHTB-GAJHUEQPSA-N 438.532 2.117 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1767097580 CKVJRTYBEWVZBJ-DEOSSOPVSA-N 449.559 2.189 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1767102843 BEBSLIYBNQLEQZ-YKSBVNFPSA-N 436.608 2.420 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1768207128 BCTGCHJPWIKCOG-INIZCTEOSA-N 447.561 2.167 30 10 IEEE CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1768582252 UUGMYISPCQOODA-BMGDILEWSA-N 447.561 2.333 30 10 IEEE CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1769574615 AIKNJRCFJSSNGT-YJBOKZPZSA-N 429.546 2.256 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 1769944844 ZGRJCDLBAFNWFZ-UHFFFAOYSA-N 449.515 2.141 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCOCC2)CCOCC1 1770070602 RGABDKMJFQNKTR-UHFFFAOYSA-N 441.532 2.256 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)OC 1770760716 CZDRMEMJVUVOAT-MONBJTKQSA-N 441.532 2.252 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1770803200 QFRZLTZOHXIAMD-LJQANCHMSA-N 428.512 2.245 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(C)CCCS1 1771219933 SWTLCLXBNDLSSU-BLIXFSHQSA-N 434.610 2.464 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccc(OC)cc2)c1-c1cccnc1)[C@@H]1CCN(C)C1=O 1850861620 CXQJOXJUPHPFCD-LJQANCHMSA-N 432.484 2.197 30 10 IEEE COc1ccccc1N1C[C@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851518819 CHAYCTWDCLNYFZ-GFCCVEGCSA-N 447.435 2.309 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCN(c4nnc(Br)s4)CC3)cnc21 1851683525 PWPRLMLSYJMXOX-UHFFFAOYSA-N 432.307 2.021 30 10 IEEE CN1CCN(CCNC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CC1 1852153070 NXKCZDIGMMNWQL-QHCPKHFHSA-N 431.540 2.009 30 10 IEEE C=CCN1C[C@@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccccc3F)cnn2C)CC1=O 1852379240 QUNXZVGNAXKTHC-INIZCTEOSA-N 437.479 2.147 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1(C)C 1856372093 GXUWQQOFMPRSRX-QGZVFWFLSA-N 439.965 2.129 30 10 IEEE N#CCC1CCN([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1856551698 SFKGXYJXPHAPIU-IBGZPJMESA-N 435.521 2.133 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)cc1 1857452896 GNMYKPYJUDSYBW-HNNXBMFYSA-N 426.498 2.138 30 10 IEEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(C)n1 1860942708 OWKIONHUBGUMSF-AWEZNQCLSA-N 438.315 2.060 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)sc2c1 1865922061 IZOPPWNOLRJDEZ-GFCCVEGCSA-N 436.559 2.346 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1 1868804008 KSBPJYDZMFUKRD-QFIPXVFZSA-N 438.572 2.454 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869035848 HVBRLENSPFPGBH-OAQYLSRUSA-N 441.553 2.184 30 10 IEEE CCCCCCCCC(=O)Nc1nc(N2CCC(O)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870059735 DHOJDFHYQZFAFA-MRXNPFEDSA-N 441.598 2.288 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN(CC)CC 1870586378 VVWSTYXILGXUPA-UHFFFAOYSA-N 448.545 2.445 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCC(O)CC1 1870746881 DFCNYBBVLXMGDV-UHFFFAOYSA-N 427.501 2.017 30 10 IEEE C=CCN=c1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871608486 YNDRUYAXNXPDPC-UHFFFAOYSA-N 436.564 2.327 30 10 IEEE COC(=O)c1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1891002192 GDVQVQWWABDURU-UHFFFAOYSA-N 441.572 2.124 30 10 IEEE C=CCC1(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2010230217 XFSYOURGDVCJAT-JKSUJKDBSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 2060725258 GQFYSUXWZYESCP-OAQYLSRUSA-N 441.576 2.166 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2067793567 WZTITFIQXRANSD-CYBMUJFWSA-N 438.305 2.197 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2077082453 MDTOLLPLMICWAV-UHFFFAOYSA-N 430.314 2.328 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@@](C)(O)[C@H](N)C#Cc1ccccc1Br 2227464863 WAPMOGQVBWDVQN-VQIMIIECSA-N 427.339 2.420 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247907022 UOQRYDSOURRBBU-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)CC(F)F)n1 2247949933 BLIRWTODVNQDQG-UHFFFAOYSA-N 441.309 2.175 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCN=c1[nH]ccc(B2OC(C)(C)C(C)(C)O2)c1F 2254802325 NFXCPYZKOWODKE-UHFFFAOYSA-N 439.337 2.285 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)C1 2255192443 KQTOCPJFLWZORV-MDUOQUAUSA-N 449.548 2.044 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255702779 LEVPMAIDVLEAKJ-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255874126 JNLIEGOGBJXTPJ-HZPDHXFCSA-N 433.358 2.500 30 10 IEEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256024540 YUMZCRMTGPSPHC-MRXNPFEDSA-N 436.314 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256619944 CGZTXVWFTJULAP-GDBMZVCRSA-N 433.314 2.002 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256667125 YTCNUVUCVJRGJG-KRWDZBQOSA-N 433.358 2.379 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256913139 DOZCWQMUPMUWJA-KRWDZBQOSA-N 444.362 2.362 30 10 IEEE C=C(CNC(=O)[C@H]1CCCN1C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2259191532 VJFAGHGKWPIEIN-QGZVFWFLSA-N 435.374 2.374 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2267011088 YMRIRAUDLHAWCW-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267092832 YMJWXVVHLCFSPQ-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267121528 YRWVDJCJDSVPQY-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267142625 WTBDWBMHPMULDU-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267171561 MDRDORANAIGPJP-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267193889 LSLSBFJCQMRBTC-YXJHDRRASA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267268795 ZHGNJOIZRDHTKX-INIZCTEOSA-N 449.332 2.316 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267276223 ZKWDTHMJGRRDDQ-CMJOXMDJSA-N 445.369 2.311 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267521999 VKNKDLFYNCRWOW-MOPGFXCFSA-N 436.365 2.127 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268688685 SRXGZQBOXZVXIJ-GOSISDBHSA-N 446.353 2.368 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2268708740 FTWGFUQDEZDPGF-HNNXBMFYSA-N 448.373 2.447 30 10 IEEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282840981 LAHVVOGQDGXGJK-ONGXEEELSA-N 441.833 2.091 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2301381842 KGMSGHLBZKSBEB-UHFFFAOYSA-N 439.749 2.110 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C(C)(C)CO)n1C 2315598752 QZCUZVOSIFFESQ-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE C[C@@H](Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)C1(O)CN(C(=O)OC(C)(C)C)C1 2322300265 FWPUBAPYOIWIDV-CYBMUJFWSA-N 437.321 2.302 30 10 IEEE COc1ccc([C@@H]2c3c(nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72444844 KRQGQAZYRXLZRJ-GGKPKWOWSA-N 437.500 2.493 30 10 IEEE N#Cc1cc(N)c(Oc2nc[nH]c(=O)c2Br)c(I)c1 164193295 UNZCPHNSMGNYHP-UHFFFAOYSA-N 433.003 2.383 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1 427997879 SYAYWJLOEVMDJT-VBCDKBITSA-N 426.538 2.003 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)NCCc2cccc(C#N)c2)ccc1Br 440147542 QGWJJSOETPQRKU-UHFFFAOYSA-N 430.258 2.405 30 10 IEEE C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 441858972 BSXXQTPAKIYQAX-IBGZPJMESA-N 446.525 2.428 30 10 IEEE COc1cc(C#N)ccc1OCCCc1nc(CC(=O)N2CCC(N(C)C)CC2)no1 445612024 HXVSTOIXJOGPGY-UHFFFAOYSA-N 427.505 2.057 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 462768132 ZXZZPQJELJMHEG-OAQYLSRUSA-N 444.557 2.440 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(Cc2ccon2)c1=O 478847179 ZJQHUUQNVNDTGM-UHFFFAOYSA-N 425.485 2.376 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 481283259 HZFRLSHGKZHNKR-CQSZACIVSA-N 442.472 2.378 30 10 IEEE CS(=O)(=O)CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 490087312 JPVXPYGDKZBANW-CYBMUJFWSA-N 435.365 2.299 30 10 IEEE CCN1CCN(C2=C(Sc3nc(C)cc(C)n3)C(=O)N(c3cccc(C#N)c3)C2=O)CC1 526700232 AJCAPZKHYRLQTI-UHFFFAOYSA-N 448.552 2.480 30 10 IEEE COc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)cn3)c2=O)c1 531884261 XGPHNLQXCLFUIH-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCCSC)c2=O)c1 537394026 JGCLZIZATMTESG-UHFFFAOYSA-N 445.610 2.493 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1F 537652037 NEXMBHXHNSPQAY-UHFFFAOYSA-N 441.506 2.206 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 539769868 VLFOJRIFYBHNBC-UHFFFAOYSA-N 439.556 2.496 30 10 IEEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)CCCC1 546779139 YHUQLNMKCOSPQH-HNNXBMFYSA-N 426.336 2.336 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2C[C@H]2CCCO2)cn1 549858021 YCDDMUBJFBLZNE-QGZVFWFLSA-N 436.495 2.195 30 10 IEEE COc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 554726464 LLUJXVNMKQPEKA-UHFFFAOYSA-N 431.514 2.106 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cn2)CC1 561056402 HTPLQFYSIPUJMJ-HXUWFJFHSA-N 436.535 2.377 30 10 IEEE C[C@@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 585473611 ZSJIAZBZQCQVNX-QGZVFWFLSA-N 426.546 2.238 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 586082388 RIZMVKPBSBJXRH-LJQANCHMSA-N 426.498 2.100 30 10 IEEE C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C#N)cc1F 586860750 PUQXTWQXUIDYEB-SFHVURJKSA-N 438.503 2.063 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 604027647 RIMRHUHVWVPHRK-UHFFFAOYSA-N 449.916 2.376 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)cc1 609562082 CFCCHJJNLYVRQL-GOSISDBHSA-N 433.512 2.489 30 10 IEEE Cc1[nH]ccc(=NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Br 617014206 AXQXWPVRMBUCRP-MRXNPFEDSA-N 428.290 2.369 30 10 IEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670196351 QLBFXRQDQDSUCI-KRWDZBQOSA-N 431.541 2.012 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@@H]1CCCO1 679925427 RAGROUHSOBYETN-SFHVURJKSA-N 433.533 2.365 30 10 IEEE N#C[C@H]1CN(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CCN1C1CC1 732666387 RJIJORXKCWKXAO-DHLKQENFSA-N 429.524 2.306 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)c1 733075607 RKKWEAFMIQBRBN-XMSQKQJNSA-N 432.590 2.421 30 10 IEEE CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1C 747499546 ZPVRKTBXFMZEFD-UHFFFAOYSA-N 444.513 2.282 30 10 IEEE CCOC(=O)CCC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 749086612 VFROVDCZEFNYNG-UHFFFAOYSA-N 435.546 2.087 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 754309124 CFBOQIQSVFJQGJ-QAPCUYQASA-N 440.500 2.328 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 755327590 BIJWHOQEYLPPMA-PKOBYXMFSA-N 444.532 2.499 30 10 IEEE CO[C@@H](C)[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757550881 OUIACJKXJNMMEI-NYHFZMIOSA-N 436.464 2.133 30 10 IEEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1Cl 762518267 BQOOHCZQJDBKAA-KRWDZBQOSA-N 436.965 2.371 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)cn1 763381116 HWKBJICYDVRFAJ-UHFFFAOYSA-N 448.258 2.400 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1Cc1ccon1 765146020 QYNCQTCJISQSOA-UHFFFAOYSA-N 438.534 2.152 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 765321280 IEZPOGCVHWMCOR-HXUWFJFHSA-N 432.480 2.450 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1C1CC1 772911079 PZPDQOFFKROVSP-UHFFFAOYSA-N 430.599 2.319 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 788695563 UKMZRCKYRHVTLC-UHFFFAOYSA-N 426.420 2.244 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCSC2)C1=O 794440803 KVZPDEQRGUGMDB-AEFFLSMTSA-N 445.614 2.453 30 10 IEEE CC(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802674376 IRSFEWITPIKEJT-FQEVSTJZSA-N 435.580 2.285 30 10 IEEE COC(=O)[C@@]12CCOC[C@@H]1CN(c1nnc(-c3cccc(C#N)c3)n1C[C@H]1CCCO1)C2 802689787 QZRXZBYJUAZPMR-YCRNBWNJSA-N 437.500 2.012 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 804455803 ZSRPQPPOZQDADE-RXVVDRJESA-N 441.509 2.499 30 10 IEEE COc1ccc(Cl)cc1NC(=O)CSc1nnc(NN=Cc2cccnc2)n1N 1084414352 XHDFWKUITIWBMO-UHFFFAOYSA-N 432.897 2.226 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1124384523 ZBIJAJPIUPOQAC-UHFFFAOYSA-N 445.497 2.235 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(CN3CCOCC3)o2)c1 1125126021 OCRQLUUCDXAXCB-BSYVCWPDSA-N 446.529 2.177 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2coc3c2C(=O)NCC(C)(C)C3)c1 1125489501 SFBNQZVHEMUYLP-UHFFFAOYSA-N 449.507 2.079 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 1129282791 WJTSAEGGSFXHFW-MRXNPFEDSA-N 432.523 2.065 30 10 IEEE C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1noc(C(F)F)n1 1141933784 QLYGEZRDDXDHSZ-LLVKDONJSA-N 441.460 2.484 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cc1 1162598569 VJBYXHOADZGDJX-UHFFFAOYSA-N 427.436 2.166 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1192468886 RPIGTCRMLGHWGP-HKUYNNGSSA-N 442.603 2.429 30 10 IEEE CCOC(=O)[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@H](O)c1ccc(Cl)cc1 1213159010 BXFQZQVXSZQCMO-QZTJIDSGSA-N 440.880 2.435 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286355377 MYDOQYNLNWXGGZ-UHFFFAOYSA-N 429.590 2.337 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1286377632 ZZQCCUXIPNFFOC-CQSZACIVSA-N 442.463 2.325 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286394887 XRPJYJGKXZFZRC-LJQANCHMSA-N 434.606 2.333 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286428846 XDHONFKITUZPJL-UXHICEINSA-N 431.606 2.144 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)(C)C 1286721790 HLIVILBCRFHRCW-UHFFFAOYSA-N 433.582 2.165 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1298752512 DMEGFCGHGHXIHH-CZIZESTLSA-N 439.520 2.118 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300501502 LOWDOFFJTUSOIM-XJKSGUPXSA-N 439.632 2.012 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1300591592 USXPABBYOYGXGZ-UHFFFAOYSA-N 425.920 2.500 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1300786170 DTSPFXNXLPYWCA-FGZHOGPDSA-N 433.622 2.360 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300848184 BLVFCCOTPYZWJE-GJZGRUSLSA-N 426.359 2.432 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)c1ccccc1 1301004165 UMQAWFSUEDHQEI-DFQSSKMNSA-N 425.533 2.430 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2c(cccc2OC)C1 1301587835 ADLAPVFBKRRRBJ-SFHVURJKSA-N 446.573 2.344 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1301611406 MAEDCGATEMGMRG-IAGOWNOFSA-N 443.639 2.155 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCC(=O)N1 1301774386 ULOSKROHFTXAIW-LJQANCHMSA-N 433.516 2.087 30 10 IEEE COCCOCc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1302192474 BZXZRGSLUSTFTO-KNQAVFIVSA-N 429.496 2.435 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC(F)(F)CC1 1303096160 OHYNBJQOFQFUHE-FWWJWKNHSA-N 436.463 2.282 30 10 IEEE COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 1303383475 GGOYNVDAXNJPPD-FPTDNZKUSA-N 437.500 2.406 30 10 IEEE Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)cc1 1304388416 COWYTOCIWXXYHW-UHFFFAOYSA-N 435.488 2.313 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CCN(C)Cc3ccccc3)CC2)c1 1307459606 XHNYAFJDSHUDKX-UHFFFAOYSA-N 433.556 2.066 30 10 IEEE C#CCC1(O)CCN(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 1308032250 DCJPXCMGPSVKGO-UHFFFAOYSA-N 444.885 2.253 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(F)ccc1Br 1309089050 ZWFODSCDQSZIBT-ZDUSSCGKSA-N 426.329 2.093 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)nc1 1312834485 ZSSVYRPWNMYISG-UHFFFAOYSA-N 442.470 2.100 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C(C)C)N1CCCC1 1314356705 TVAWIMWFVMGFMW-HXUWFJFHSA-N 439.564 2.470 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1(C)C 1315736139 MVPLZQWMNZHYAW-RTBURBONSA-N 427.505 2.005 30 10 IEEE COC[C@@H](F)Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315821923 MKSWIFRULVUYSX-INIZCTEOSA-N 428.493 2.450 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1349994295 JPXQCAZKCNSTNM-IAGOWNOFSA-N 441.347 2.058 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Cl)c2C)CC1 1359038227 NYZGQKDPJMIDRH-UHFFFAOYSA-N 426.952 2.166 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCc2ccccc2)CC1 1359054894 LKYVWULYBNYPPQ-UHFFFAOYSA-N 433.585 2.466 30 10 IEEE C#CCSCCn1c(N2CCN(C3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359061901 PEPQAJVLXKNOBE-JOCHJYFZSA-N 433.622 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1359070726 SWGYEFPFODSTPQ-WOIUINJBSA-N 433.622 2.437 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1359070926 YEVLBPMAXAMIQJ-YCRPNKLZSA-N 432.521 2.368 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(C)(=O)=O)CC1 1359160743 BXCZOOUCBYUCFS-UHFFFAOYSA-N 428.356 2.247 30 10 IEEE C=CCCOCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1359229735 SFCVLASZRSVJJS-UKRRQHHQSA-N 442.492 2.293 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359305255 XMYIPDBTJGPWDA-INIZCTEOSA-N 439.495 2.026 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1359474829 XTARJRNFFAXHQP-ZACQAIPSSA-N 435.573 2.132 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1360466796 IJTYKZJKUPKNQK-SNVBAGLBSA-N 444.284 2.166 30 10 IEEE COCCOC1(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 1468172664 IAIJDZBPVYSKEP-UHFFFAOYSA-N 433.354 2.236 30 10 IEEE C[C@H](CC(=O)NCCOc1ccc(F)c(Cl)c1)/N=C1/NS(=O)(=O)c2ccccc21 1468209734 UFIWPRHFYHFJIN-GFCCVEGCSA-N 439.896 2.491 30 10 IEEE CN(C)c1nc2c(s1)CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CC2 1473764013 OAQJRGXADNUEBY-LJQANCHMSA-N 442.564 2.115 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCO2)cc1 1473838764 LFNBVRITARDUNW-HSZRJFAPSA-N 438.503 2.224 30 10 IEEE C=CC(C)(C)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1477897915 RSHKTXAXCLZLSG-UHFFFAOYSA-N 425.551 2.368 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCOC)CC1 1502311821 ZWAVSMVOMMYZNK-IBGZPJMESA-N 425.581 2.315 30 10 IEEE COCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1504797272 FEDQICMOSLEBBI-UHFFFAOYSA-N 431.566 2.405 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@@H]2C)c1 1507549647 JZFDHLCLZKEVRJ-HKUYNNGSSA-N 447.543 2.407 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@]2(C)CN(C)C2=O)c1 1507549866 ANKUJYNZDSMBMT-DEOSSOPVSA-N 434.544 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCC[C@H]2C)c1 1507550023 DKHNVOWJJWQARC-YJLYGGOZSA-N 437.544 2.389 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccc(C)n1 1507606496 OAHBNLBPZCXQFI-UHFFFAOYSA-N 438.557 2.211 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1507625358 ILOCDFQODSDBMM-KRWDZBQOSA-N 444.557 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507629218 RMZSIYFNODPNIO-IRXDYDNUSA-N 449.964 2.045 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1507630690 FTSLEGJWAGGQJI-BJLQDIEVSA-N 445.589 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCO[C@H]1C 1507648257 XUHHDVTZWDGDKC-MGPUTAFESA-N 429.318 2.320 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C(C)C)N1CCOCC1 1507671701 NTLACBXJCWNKRY-NRFANRHFSA-N 440.617 2.454 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1507954978 SZXSZZMISWGPPU-MSOLQXFVSA-N 433.582 2.196 30 10 IEEE Cc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)sc1C 1510425540 HTZWNWXZEGNSSD-INIZCTEOSA-N 434.591 2.432 30 10 IEEE C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1512313800 DPKBGABQXPXAIX-HYLQGWQCSA-N 428.537 2.181 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CC)CC1 1516760121 WMKQMLCQDAMFKZ-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1 1516810762 BGCFIFFARLGZPD-MRXNPFEDSA-N 435.575 2.105 30 10 IEEE CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)c3cnn(CCC#N)c3C)ccc21 1526450434 BADRZAQDYZCRHM-UHFFFAOYSA-N 431.399 2.359 30 10 IEEE C[C@H](C#N)Oc1ccccc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1526686350 KKYAEEFJHSMTJZ-VTJXTGGHSA-N 449.529 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1539338449 UQSRWXYGBSULJQ-QZTJIDSGSA-N 432.590 2.237 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCS(C)(=O)=O 1539391589 FVOCPRCINROZDV-UHFFFAOYSA-N 427.505 2.087 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(=O)N(CC)CC)CC1 1539435804 BEGONHJKICLEPB-UHFFFAOYSA-N 443.983 2.397 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1539668690 CEZAAJSPYBRILP-MRXNPFEDSA-N 431.628 2.155 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1539669443 QSEJOBNXHODEPI-QGZVFWFLSA-N 441.561 2.212 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1540164414 NZOZASWDJQYQNP-OAHLLOKOSA-N 440.529 2.207 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1nnn(C)n1 1540180302 MPPMMKJCLWOWFZ-UHFFFAOYSA-N 435.561 2.441 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)CC 1540868837 TWESMQYXWXAJNU-OAHLLOKOSA-N 433.582 2.023 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2CCOC2)CC1 1540872854 CMJXMNFDPIJPQU-KRWDZBQOSA-N 430.578 2.189 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C1 1540889428 MBNKLYBARZCUTB-FQEVSTJZSA-N 439.608 2.456 30 10 IEEE Cc1nc(CCn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1542938032 NFXNFNUGDFZKCO-CYBMUJFWSA-N 443.309 2.106 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1555430493 XQJMPAGNYPXEJG-LLBVYWAGSA-N 443.548 2.377 30 10 IEEE CCOC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCCCCC1 1557299762 BIGWNTFRULQCCU-LJQANCHMSA-N 435.546 2.429 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(F)cc(I)c1N 1557387201 RGAVJCURGMEPST-UHFFFAOYSA-N 432.233 2.430 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1c(C)nn2cccnc12 1561471055 KVIHOZCFPYZQLH-SFHVURJKSA-N 428.514 2.389 30 10 IEEE C#CCN(CC(=O)N(CCCN1CCOCC1)Cc1ccncc1)C(=O)OC(C)(C)C 1565661557 GPPWBKJACZZWNQ-UHFFFAOYSA-N 430.549 2.003 30 10 IEEE Cn1cc(CNc2ccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2)cn1 1568509091 YDJSZVUPGNCTJM-QFIPXVFZSA-N 428.496 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1587638644 GIJARVXLVBPVFW-QAPCUYQASA-N 430.530 2.073 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCC(=O)NC(C)(C)C)c1 1587697315 NJQIWHPYQWDHAH-UHFFFAOYSA-N 440.548 2.176 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)O)CC1 1588961559 DJUYVXBBXXYERO-UHFFFAOYSA-N 439.560 2.156 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1588968015 DYLMFYMJXXFCOP-IBGZPJMESA-N 444.624 2.291 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1594625982 JXYFDHMKRIAPMU-IAGOWNOFSA-N 439.582 2.251 30 10 IEEE Cn1nc(-c2cccnc2)cc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1595350028 WEPUPRDLYDIDSU-UHFFFAOYSA-N 426.484 2.484 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@]3(CCOC3)C2)cc1 1595608345 RLGHCBDOMXYTLZ-HSZRJFAPSA-N 441.532 2.025 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)nnc1C(C)(C)C 1595831793 WLPCWRBZGHLWFH-FHWLQOOXSA-N 435.638 2.487 30 10 IEEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595895482 KVOINHUNODYNIJ-GOSISDBHSA-N 442.589 2.205 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1596703084 LRHXAVWUSSKJQE-OAHLLOKOSA-N 449.481 2.416 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncccc1N(C)C 1596848653 ASIFDQATAKNHEW-OAHLLOKOSA-N 438.561 2.375 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CCCOC4=O)CC3)CC2=O)cc1Cl 1617909318 NIDIDNIFLQCCBS-OAHLLOKOSA-N 430.892 2.398 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1619008345 ZEIWMMLGNBFTOO-WMZHIEFXSA-N 438.532 2.116 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)C1 1619954327 DEXJKGXJELIGAZ-SQGPQFPESA-N 440.548 2.219 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1619983916 SZPKMNMGDBCDIW-INIZCTEOSA-N 439.582 2.099 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCC(F)F)CCO1 1620355718 XSLYMQSFSJDROU-HNNXBMFYSA-N 429.431 2.346 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](n2ccnn2)CC1 1630656590 PQCBCYFROMNJPV-QGZVFWFLSA-N 444.561 2.131 30 10 IEEE N#Cc1cn(CCC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c(=O)nc1O 1631038058 XVVBMUFTQMUERT-UHFFFAOYSA-N 442.273 2.039 30 10 IEEE C=CCC1(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCOCC1 1640062216 KDAAPJBPPVOLNZ-UHFFFAOYSA-N 436.452 2.495 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C(=O)OC 1644823595 XFEIUQLHEWRNHQ-SJORKVTESA-N 431.489 2.468 30 10 IEEE COc1ccc(C(=O)NCC#CCN(C)C)cc1S(=O)(=O)N1CCCc2ccccc21 1648647829 SXFGXOOZUJDXEH-UHFFFAOYSA-N 441.553 2.132 30 10 IEEE N#Cc1ccc(Br)cc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1651559233 PPLZWQFNIMAWCJ-UHFFFAOYSA-N 429.322 2.274 30 10 IEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 1651811449 FQCGFJBFPYFWDZ-CYBMUJFWSA-N 434.331 2.337 30 10 IEEE Cc1c(C#N)c(=O)n(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(=O)n1CCO 1656828705 VTZPNGXBMPGUDO-UHFFFAOYSA-N 449.898 2.282 30 10 IEEE COc1cc(CNC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)ccc1C#N 1680913763 YAOLURXIKRDSNP-UHFFFAOYSA-N 428.514 2.303 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 1683131408 STFOLRCQDHYERJ-FQEVSTJZSA-N 435.590 2.283 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1C 1689946901 ZAAINZRTEQEENW-CYBMUJFWSA-N 429.468 2.333 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689980108 LTENFNQNEWGWKJ-OWCLPIDISA-N 428.649 2.267 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689989470 FUWRQUBVLLLORR-YMGMXPECSA-N 440.635 2.110 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689994458 YQDSAEXHKPQGJB-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1689999849 JUOUNDPVZHJNOZ-CRAIPNDOSA-N 449.964 2.002 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1690011774 CONDEFJTSLZQFX-SFHVURJKSA-N 437.548 2.399 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690080590 ZZLWOWXFVUMKEZ-UHFFFAOYSA-N 439.541 2.206 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCN(CC)CC1 1690085948 LBGBCRICQUOWPY-LJQANCHMSA-N 428.556 2.482 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCC)CC1 1690131917 AIRBNHCSLNDKGO-UHFFFAOYSA-N 448.575 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(SC)c2)CC1 1690154491 OXPZEDOBNORTRR-GOSISDBHSA-N 440.573 2.261 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1690262622 HSKAHYRMZXJWSF-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)c1cccs1 1690665414 CCDXNOPJHYGSIK-OAHLLOKOSA-N 449.544 2.482 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690675107 PLHMSBAGBZGNPD-PMACEKPBSA-N 436.560 2.003 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C1 1690795748 DIBQCITXQJYGEW-LJQANCHMSA-N 440.548 2.194 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1692784312 UXLJQABYPUDWRW-LLVKDONJSA-N 446.455 2.180 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1696051109 CFPXQSYRKVUSED-VXKWHMMOSA-N 448.543 2.021 30 10 IEEE COc1cccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1697544930 YLULSLLAMGGFLL-IRXDYDNUSA-N 447.561 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N(C)CC 1705576481 LRVREYJQJRCABA-UHFFFAOYSA-N 432.297 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCCC1(C)C 1705585043 IUJCVPOURUBSHQ-QFIPXVFZSA-N 425.558 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1705595831 ICWXBVDIDFTWSQ-FXAWDEMLSA-N 446.511 2.108 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1705649473 YUCZJOGIMRXXHN-RTBURBONSA-N 438.576 2.455 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1705709579 AWIHCIFVKNJWQH-HNNXBMFYSA-N 431.566 2.410 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C(C)C)CC1 1705762200 PUNNSBLIDSKZMC-IRXDYDNUSA-N 425.961 2.449 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1705897050 FJJWUNRKGCBSLP-OPAMFIHVSA-N 429.496 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1705937762 DGMKBWQSGLRVOV-IBGZPJMESA-N 447.605 2.297 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1706069900 HTYIOKIJVKPEPF-OAHLLOKOSA-N 442.524 2.436 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1711225570 CQEMWQGFJKTWAV-ZZEZOPTASA-N 441.536 2.061 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1712167266 HRCOIHMNJLKFNG-LJQANCHMSA-N 441.511 2.139 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722316858 JWXXCOSUTTWQHL-RTBURBONSA-N 426.517 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC(F)F 1722384008 SHNTWENGQSKYMW-UHFFFAOYSA-N 429.475 2.154 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCCCC2=O)CC1 1722438609 UZMYBYVZGKQRNW-UHFFFAOYSA-N 435.576 2.196 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1722439961 WNLHHKILVIDNBQ-UHFFFAOYSA-N 441.889 2.440 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOCC)CC1 1722484843 XDBSRYHGGNJDRP-INIZCTEOSA-N 428.375 2.239 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722487345 OGFPYPNJVYVMGM-NSHDSACASA-N 425.356 2.209 30 10 IEEE C=C(C)Cn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1722553586 UGYMLWGUDIKWGT-IERDGZPVSA-N 431.541 2.081 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1722692384 KJJJAWIEOKJKGB-LJQANCHMSA-N 438.532 2.166 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722695419 BXUGIUOCLPFTRH-INIZCTEOSA-N 443.895 2.170 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1722765892 SWLKCPSEDREZHT-DLBZAZTESA-N 444.486 2.134 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1723203822 PBTLNXNSIKLERX-RLLQIKCJSA-N 442.589 2.427 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1724058190 XPXGYQBURFCVIM-IERDGZPVSA-N 430.484 2.336 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1729152680 FSWUCGDJQSEPKM-LJQANCHMSA-N 448.531 2.251 30 10 IEEE COC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1729799863 ABNAEWUWZJJTKP-NRFANRHFSA-N 441.467 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740634879 HPSBVTCREIWSNU-QHCPKHFHSA-N 426.524 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1740659194 LATMGTBVFGDDHE-MSOLQXFVSA-N 440.548 2.092 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1740699879 WZKSNYZMZFDHPW-UYAOXDASSA-N 427.524 2.303 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1740983838 QURIDBUUTDPBBH-HSALFYBXSA-N 430.597 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740995055 YMXPLPWYOSAWMS-OKZBNKHCSA-N 435.594 2.016 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1745196559 GNRLQYROUHKGAB-AHRSYUTCSA-N 440.548 2.219 30 10 IEEE CCCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745547716 GSWYXHVEKSMBHB-SFHVURJKSA-N 449.563 2.477 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(C)c2)CC1 1746511714 IYSDNRFZAAHVTC-UHFFFAOYSA-N 449.584 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748677045 BITPFWQUIWOLMB-FUHWJXTLSA-N 436.482 2.375 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1748994412 GBRCZFLXMJHDJC-UHFFFAOYSA-N 448.615 2.467 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749133966 SDONXBJWZWIIBI-UVFQYZLESA-N 430.578 2.282 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749199421 QEAJYIWTPSZSOQ-UHFFFAOYSA-N 440.548 2.050 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1749210804 OVFKRVHNPSVJSK-HKBQPEDESA-N 445.589 2.481 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749235546 UBFBEPRVBJBEAU-UHFFFAOYSA-N 443.470 2.341 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749238881 CPFINUBUYQUZFL-FUHWJXTLSA-N 429.496 2.304 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1749482514 JTVLZSDLGYDNQX-LJAQVGFWSA-N 436.607 2.162 30 10 IEEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1749516224 VGZCFXZPTMYLLV-UHFFFAOYSA-N 435.550 2.374 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(F)cc2)CC1 1749730385 BZACZUNZKCXVDV-UHFFFAOYSA-N 444.536 2.340 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccc(O)cc1 1750026191 FVAVFXQCJMVSMT-FXAWDEMLSA-N 440.548 2.127 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1750100487 JIUQUOMSEDSQJH-YZZKKUAISA-N 441.532 2.252 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)NC)c1 1760111767 SSVSCQQLRBGVLE-HNNXBMFYSA-N 434.500 2.066 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184562 JZIYKVLMMOYEOP-GOSISDBHSA-N 443.573 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOCC1(C)C 1760203443 FLHOOYHKBKCIAK-UHFFFAOYSA-N 427.499 2.331 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1760286999 CAXKXNUEYPWWLD-HSZRJFAPSA-N 436.516 2.413 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760294391 VOCMBCXUOLFQRC-KSFYIVLOSA-N 428.537 2.088 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)OC1CCCC1 1760317037 ZYCZWEULVHTUDT-VYDXJSESSA-N 427.571 2.180 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760339158 ZJFPBIUJRFXCJP-IPMKNSEASA-N 437.610 2.389 30 10 IEEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNS(=O)(=O)CC)CC1 1760389041 ARKNZLVYWAPBJF-LJQANCHMSA-N 447.561 2.276 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1760466718 GIHXQLUUULBFKD-JOCHJYFZSA-N 448.589 2.461 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCc1ccccc1 1761495515 VFEYEPFWCLUMCU-UWJYYQICSA-N 446.577 2.235 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1767841303 DVODHTOJQVABPP-OXJNMPFZSA-N 434.541 2.392 30 10 IEEE CCSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768398560 LGUOTWWMRYXRJA-UHFFFAOYSA-N 442.593 2.153 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1768435985 LMFUVJMGTGMDMJ-LJQANCHMSA-N 433.520 2.118 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(OC)cc1 1770044335 MBPADHLCYGGNIV-FXAWDEMLSA-N 440.548 2.236 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1770615331 HKMFTXKSJLWDHI-MRXNPFEDSA-N 428.518 2.123 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCOC(F)F)CC2)nc1 1770738728 PHZKFLODYFSJCH-INIZCTEOSA-N 433.463 2.005 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1771048417 DWZUWBPIUSZUPH-JOCHJYFZSA-N 437.592 2.458 30 10 IEEE N#Cc1ccc(C(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)cc1F 1852866246 KDSPRXQTFYBMAI-IBGZPJMESA-N 444.484 2.460 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C(=O)C12CCCC2 1854427343 OLVWAWRXAFAOSP-UHFFFAOYSA-N 443.447 2.085 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3csc(C4CCCC4)n3)[C@H](C)C2=O)CC1=O 1855153201 UMTHNALYNWYYCX-WBVHZDCISA-N 430.574 2.395 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N=c2cc[nH]c(C)c2)c(C(=O)OCC)c1C 1860749188 XCPHYISRVQSODD-UHFFFAOYSA-N 431.470 2.279 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1861502960 JTIZEUQSDMAISC-NRFANRHFSA-N 449.507 2.288 30 10 IEEE C=CCNC(=O)C(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861515453 SOUVTJHUKCLBQI-UHFFFAOYSA-N 449.507 2.345 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(NCCCO)ncnc21 1873625027 DZEDSZPCMXEEHX-UHFFFAOYSA-N 449.559 2.416 30 10 IEEE Cc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874535735 UKNOVKVNTRDECJ-SRZZPIQSSA-N 426.458 2.491 30 10 IEEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1890692046 OYDUSKFVVSEBSJ-FQEVSTJZSA-N 437.993 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060635896 QJJZXPGUFMPPAT-VFPIZLKKSA-N 434.342 2.171 30 10 IEEE C=C(Br)CS(=O)(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2121776087 LYXKZMKOGUGZSY-UHFFFAOYSA-N 430.173 2.356 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1CO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2218680399 ITKGYSRSBLSPPE-XJKSGUPXSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)NCCONC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247826055 NFKKARNCDJBKIJ-UHFFFAOYSA-N 441.721 2.220 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247834147 ROLSHIOPDYMXIT-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247949941 BOBWZBKECAOJPK-HNNXBMFYSA-N 434.371 2.104 30 10 IEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255617229 UORAWKVPDLLEHY-UHFFFAOYSA-N 436.362 2.426 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255694603 QIOPTBCBNNXTLN-UHFFFAOYSA-N 441.284 2.271 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255848034 VSPRMMXAPHRQGT-UHFFFAOYSA-N 438.330 2.240 30 10 IEEE CO[C@H]1C[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2258959356 QHGISQXIUBWSOP-SJORKVTESA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2CCC[C@@H]21 2267141330 JEBGFYPBYLELTE-KBMXLJTQSA-N 446.357 2.227 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2267182472 GYRKSFPHZSCDCZ-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2267274271 XZZDQMGFLJEPEV-MAUKXSAKSA-N 443.353 2.462 30 10 IEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267290828 IIRVDIQUYPVEJD-XMMPIXPASA-N 440.349 2.288 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)cn1 2267519964 LCSBHXINYFAEFO-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 2267528167 QJXAYYSRWIAVDE-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271375326 KPCHBZDCBWFXDF-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C 2296226021 BEJMCFCBZBWKOU-HLIPFELVSA-N 439.350 2.433 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(CCO)CCCNC(=O)OC(C)(C)C)n1 2315393457 DXILRDFDCJUCBA-UHFFFAOYSA-N 435.374 2.403 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337196150 IDCLRCLCXOVMQI-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N2CC[C@H]1C2 2342844647 YTKFSWZGQWIJLD-ROUUACIJSA-N 444.385 2.486 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](CCO)COCc1ccccc1 2343513284 AGDQDLMYAXQNRE-HXUWFJFHSA-N 440.349 2.387 30 10 IEEE Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc([N+](=O)[O-])c2)n1N 20291801 PMWBUUMSHVPBCQ-KEBDBYFISA-N 426.462 2.385 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1 20292994 TYNLXUOGHIQIJE-LSFURLLWSA-N 433.444 2.456 30 10 IEEE O=C(C[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39843411 LLQAWIAPXJPDDY-GDXCHIGESA-N 442.413 2.453 30 10 IEEE CCCO/C(O)=N/S(=O)(=O)c1cc(-c2nc3c(CCC)nn(C)c3c(=O)[nH]2)cs1 71261520 YMRAVNSDVXCJNN-UHFFFAOYSA-N 439.519 2.367 30 10 IEEE COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 97996849 UZQXPMJVDQXMCK-RBJPWVEASA-N 427.482 2.398 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1 102737050 VSMIDZVEFSJVQX-AGGMBTAESA-N 438.480 2.450 30 10 IEEE N#Cc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCN(c4ncccn4)CC3)C2=O)cc1 170048179 BOEMGXWENMFMMO-UHFFFAOYSA-N 436.475 2.455 30 10 IEEE C[C@@H](CNC(=O)c1cc(Br)ccc1I)/C(N)=N/O 235159835 NTQUSDSCXKQIPY-LURJTMIESA-N 426.052 2.166 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CCc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 382608406 SHUNEWAESPTMQU-QGZVFWFLSA-N 432.374 2.307 30 10 IEEE CCOC(=O)c1n[nH]c(-c2cccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)c2)n1 433440905 BAGRCUXPTPILBS-UHFFFAOYSA-N 429.433 2.138 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443344226 IEIMRJZLOKEZDM-UHFFFAOYSA-N 434.562 2.409 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 444725396 GRGDXIJZYILQSY-POAQFYNOSA-N 442.457 2.170 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 472581701 PACSBRXGNRJOPZ-GOSISDBHSA-N 445.472 2.266 30 10 IEEE CN(CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(=O)(=O)c1cccs1 474549025 ASJZTMYUZBJPRL-UHFFFAOYSA-N 448.570 2.493 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 478846918 XTXNBDWNQBZQQZ-UHFFFAOYSA-N 431.521 2.013 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)OC 481603145 HJMBQPKNUXOAEP-NSHDSACASA-N 446.241 2.490 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 504094129 SRTBTGVIELANFM-WZONZLPQSA-N 429.517 2.473 30 10 IEEE COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCN(c2ncccc2C#N)CC1 506971764 LIMXXASXDHRXNX-UHFFFAOYSA-N 425.445 2.111 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508481094 NEAMNDKEFXZQRT-QGZVFWFLSA-N 426.477 2.115 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)c1 520829549 CVZRASXCABXPNL-UHFFFAOYSA-N 438.452 2.245 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 524306485 MVDMQFGVCMEPGN-UHFFFAOYSA-N 427.526 2.170 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl 525387867 LWKPMRIKDKBYCD-UHFFFAOYSA-N 434.861 2.267 30 10 IEEE C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 544882649 UKDBEWUFPADFJY-KFCXZAFISA-N 426.517 2.457 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCCCO1 567480800 AZEZZNYYSMQWRN-LJQANCHMSA-N 432.532 2.446 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCCCCC2)CC1 574188485 NAJNLOOOJKRVOK-UHFFFAOYSA-N 427.593 2.192 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H]4CCCC[C@H]43)nnc12 613786631 FCGWLVSZPFKKGC-QZTJIDSGSA-N 439.541 2.492 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccccc2)CC1 670129349 BAMLJUFHNAFSPX-UHFFFAOYSA-N 448.546 2.481 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1C#N 732798460 YCKKXKCHFHUTDN-UHFFFAOYSA-N 431.521 2.276 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1 733364858 RRBUOZWICIAKBX-RUZDIDTESA-N 430.552 2.074 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](C)C(C)C)cn1 739401857 MJQVNJSHVDTRTB-NVXWUHKLSA-N 435.594 2.382 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 751510021 MOSLFQHKNIKCPQ-GDBMZVCRSA-N 441.303 2.427 30 10 IEEE COC[C@@](C)(CCO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 758228479 ZYYGGEIXHOKUGS-SXKRPYPPSA-N 440.566 2.189 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC(S(C)(=O)=O)CC2)cc1OC 760952565 DBJFZRXQZPRMDZ-UHFFFAOYSA-N 426.535 2.260 30 10 IEEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)c(F)c2)c1=O 763298856 CFVQLFZLXDLLKF-UHFFFAOYSA-N 436.306 2.265 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(C#N)ccn3)c2)CC1 766958640 XYQVLZBAQNDHNU-UHFFFAOYSA-N 433.921 2.185 30 10 IEEE N#CC1(CS(=O)(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CCCC1 767530376 AMWSAPJYSVEKRX-UHFFFAOYSA-N 438.509 2.400 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 772207539 LAHUNLTYJWDEHK-SFHVURJKSA-N 447.557 2.212 30 10 IEEE C#CCN(C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 774026628 YKHWLCBGOGUGDS-CYBMUJFWSA-N 425.463 2.046 30 10 IEEE COC(=O)c1ccc(NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)cc1Cl 782237617 MYWSZMIJZMSLEY-UHFFFAOYSA-N 425.276 2.435 30 10 IEEE C#C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 794896789 SVNGKCIDLGTHNO-GOSISDBHSA-N 432.473 2.146 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN(CC(F)F)C1CCN(S(C)(=O)=O)CC1 800864158 GMSIWEUGBXYFKW-UHFFFAOYSA-N 438.504 2.074 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 805786357 PYNMCBFKWNKGLI-HXUWFJFHSA-N 441.553 2.346 30 10 IEEE N#CC1(OCCOC(=O)c2sccc2S(=O)(=O)NCc2ccco2)CCOCC1 809083923 QNDXEDWYQDJKBH-UHFFFAOYSA-N 440.499 2.066 30 10 IEEE C#CCN(c1nnc(CN2CCCc3ccccc32)n1CC=C)[C@@H]1CCS(=O)(=O)C1 809921576 HMXVOPQVCISWDR-LJQANCHMSA-N 425.558 2.044 30 10 IEEE C=CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 918729247 FATFWILFCWFMFX-UHFFFAOYSA-N 433.537 2.185 30 10 IEEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc([N+](=O)[O-])cc2Cl)C1=O 1084092414 MNJGNXHHEQJJCG-UHFFFAOYSA-N 447.820 2.414 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c1 1125489091 JNZMGFGPESGPMJ-WOJBJXKFSA-N 426.513 2.228 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 1125700406 DHSOYWWZGDUBOD-HOTGVXAUSA-N 431.418 2.070 30 10 IEEE C#CCC1(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCOCC1 1133710275 WGJVAUGVLDNUIA-UHFFFAOYSA-N 432.318 2.209 30 10 IEEE CC[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H](C)S1(=O)=O 1140279199 MVJGESLVQVLWOB-LRDDRELGSA-N 440.363 2.181 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1141464009 WIJLFUQMROYKEG-SCZZXKLOSA-N 430.246 2.200 30 10 IEEE CCOC(=O)C1(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCOCC1 1141514725 BOTGAFIEHXQIIF-UHFFFAOYSA-N 439.516 2.125 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)s1 1160517915 BVNUSLBYRCLZFP-KRWDZBQOSA-N 425.551 2.313 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CCO)cc1 1180193394 NCXNYNATENRQNN-UHFFFAOYSA-N 429.542 2.137 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1286272027 YJUWHBJFSADCIQ-ZYSBOAIWSA-N 436.541 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286286804 ALKOBMZPRPYPNZ-XLIONFOSSA-N 426.540 2.485 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286317498 RJKCNGAVFFIOLY-IBGZPJMESA-N 443.515 2.152 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1286426372 SZOUPLMQUVBCJU-BVZFJXPGSA-N 444.539 2.206 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCSCC1 1286435981 PLVOIXPFISTLEN-UHFFFAOYSA-N 447.008 2.370 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)COC)CC1 1286472994 GKAYQOMRGJZVOC-QGZVFWFLSA-N 443.548 2.009 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286474230 AREGMPPCTVHMOZ-QUCCMNQESA-N 429.952 2.405 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286496827 WEAGWEHFIOKBSJ-ICSRJNTNSA-N 432.638 2.147 30 10 IEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)(=O)CC1 1286603926 BVZCJAXWBGLSJB-UHFFFAOYSA-N 442.545 2.163 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286672639 OOTLZVXNNRZXQD-MSOLQXFVSA-N 430.597 2.173 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286689622 WZZLOEILJXOBRL-FQEVSTJZSA-N 437.548 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC)C1 1286782333 RNFWQVHQZJVCFQ-MRXNPFEDSA-N 431.562 2.277 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](COCC)C1 1286790502 SXTAZCQDINYTQU-GOSISDBHSA-N 437.548 2.072 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(CC)nn(C)c2OC)C1 1286813161 XHRUAAFWVNZISN-SFHVURJKSA-N 437.548 2.398 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286826522 KHHWXMZYOJOHRU-UHFFFAOYSA-N 430.578 2.166 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccnc1OCC(F)F 1290865127 LQNJPFIONAWQKS-UHFFFAOYSA-N 440.458 2.267 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1298583902 WBCOKUQHJXFEGI-HXUWFJFHSA-N 441.532 2.458 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1299551835 DBORZCNSDKBUAO-YLJYHZDGSA-N 437.548 2.434 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300272918 CJZJZBRHPXJCJM-ZQIUZPCESA-N 428.468 2.003 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)cc1F 1300733041 HHCBKLZMUCVFIH-ZDUSSCGKSA-N 443.545 2.169 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnccn1 1300770290 RYSLKLPYNSZEOF-UHFFFAOYSA-N 427.559 2.062 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301012345 BBSUMYUWBMTPEV-UHFFFAOYSA-N 434.903 2.270 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301252418 MZHAULMKGMZGPF-IRXDYDNUSA-N 448.568 2.173 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)N(C)C 1301270313 GIXYLOVFHQKWQS-UHFFFAOYSA-N 433.582 2.037 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301596537 RHISCDXTTRSDJG-LAUBAEHRSA-N 435.594 2.208 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)ccc1OC 1301625491 OGLXJOVMVBUGMI-UHFFFAOYSA-N 428.514 2.192 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302146877 XWXQVLPPCSBJED-LJSVLAKTSA-N 442.564 2.400 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)OC(C)(C)C)C3)c1 1302897171 FEXFTJNQQYRLBR-IPELMVKDSA-N 447.557 2.116 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1303902745 YATWUJJOXZYYRW-KUHUBIRLSA-N 429.435 2.076 30 10 IEEE CCN(CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1309269195 GZAOFGHKGVGIED-MRXNPFEDSA-N 430.368 2.442 30 10 IEEE CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1312948687 QASYZQIIIMGNCR-GQAKTHPZSA-N 445.541 2.136 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CN2CCCCC(=O)C2=O)c(C(=O)OCC)c1C 1349739430 SVDOLWBGTVYRBI-UHFFFAOYSA-N 436.486 2.096 30 10 IEEE CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 1354425360 AAKJCERIBNDASX-UHFFFAOYSA-N 427.461 2.091 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1358906340 FECZZWWQKXUZCZ-INIZCTEOSA-N 441.532 2.441 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1358911991 HOGDPCLFOVOCLF-IBGZPJMESA-N 430.578 2.097 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1358916740 VNWGQQSCZQLQEC-UHFFFAOYSA-N 443.511 2.189 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@@H](C)C1 1358949401 AUYFQENTJGVKSC-KSZLIROESA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358957766 AALVEVBMRWAFSA-GOSISDBHSA-N 444.948 2.007 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1359010775 ZAOPOWPOIUTHDJ-MSOLQXFVSA-N 445.564 2.305 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(=O)Nc2c(C)cccc2C)CC1 1359033812 RCKRRVAPTSXJBL-UHFFFAOYSA-N 429.528 2.351 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359051239 QFVNUMMVGOKXDG-QGZVFWFLSA-N 449.558 2.233 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1359085174 FCLSRWKJYZRBGY-UHFFFAOYSA-N 440.367 2.186 30 10 IEEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1359247551 GONXXOLUFGAEBC-UHFFFAOYSA-N 439.520 2.172 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCCC2)C1 1359325073 XKEKYXZVAFWEKZ-WOJBJXKFSA-N 430.597 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(C)on1 1359327425 AGXAPLOZSFARGR-UHFFFAOYSA-N 431.518 2.487 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1359465580 GKDXTUVQQJPZRH-XHDOVSQSSA-N 428.562 2.037 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1360319528 JJUBGBJWXGBUSX-XXBNENTESA-N 448.612 2.292 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1452490245 RSLBBDJYRKVQAQ-WOJBJXKFSA-N 429.565 2.440 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(N2CCOCC2)ccc1Br 1466564869 ZINHMLXAKVZZNE-UHFFFAOYSA-N 432.340 2.008 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H]1c1ccccc1 1468738015 VICGZJOIIVULPI-QZTJIDSGSA-N 430.457 2.152 30 10 IEEE CN(C)CCCOc1cnccc1CNC(=O)N1CCN(c2ccsc2C#N)CC1 1470378751 UPINITUEFWVDAH-UHFFFAOYSA-N 428.562 2.377 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1471536364 ULVBTICWSCWGHY-FPOVZHCZSA-N 432.517 2.385 30 10 IEEE COC(=O)[C@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@@H](C(=O)OC)C1 1475127964 GXSKFBHEWCHXND-DZGCQCFKSA-N 436.511 2.197 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1478655026 NVFFUGKUKJYGMX-CVEARBPZSA-N 434.345 2.353 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H](O)C1 1503603439 OHGAMWIVTNFISP-HKUYNNGSSA-N 431.562 2.239 30 10 IEEE COCc1nocc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1504658791 GLYQHNQYOSBAPC-GDBMZVCRSA-N 442.451 2.469 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@@H]1C 1507521827 QQBKRNMFNJVIMX-HOIFWPIMSA-N 445.589 2.204 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507568692 YLIRFPKGDOHVHJ-HXUWFJFHSA-N 446.559 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCS(C)(=O)=O 1507659688 COXOGTJGZWHJDI-QGZVFWFLSA-N 432.521 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCOC1 1507677081 UAWGDLRQCMHFHC-QFIPXVFZSA-N 426.542 2.193 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(CC)CC)CC1 1507730574 UEZSOVXERFYIGH-QFIPXVFZSA-N 438.576 2.278 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)=O)CC1 1507965788 VFRVLKWIZWYNNV-OAQYLSRUSA-N 441.532 2.488 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCOCC1 1508417226 IAGNZMLRZJHIQG-INIZCTEOSA-N 426.521 2.380 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)N(C)C 1518003597 CJROUCNCNMCAQQ-CYBMUJFWSA-N 440.957 2.094 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC[C@H]1C 1518635841 QFDANFKVTQGSPP-FOWVLEKCSA-N 441.532 2.130 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1519515899 FYWAIQIOSGDHPN-FQEVSTJZSA-N 428.493 2.084 30 10 IEEE Cc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(S(C)(=O)=O)c1 1532519109 FQKWIMDPXYOELO-QGZVFWFLSA-N 440.481 2.114 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2C(=O)Nc3c(F)cccc32)c1 1535252463 CJCIUBPZNPCQCS-LJQANCHMSA-N 435.455 2.125 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(OC)nc1OC 1539251985 UWVGNXAKCYYLMX-UHFFFAOYSA-N 445.479 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)OC(C)(C)C 1539285236 GHMUZBZPYISUBT-UHFFFAOYSA-N 433.516 2.114 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539533576 RVXJKZFJEAEDLP-NHCUHLMSSA-N 441.601 2.352 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC1(CS(C)(=O)=O)CC1 1539563241 INSBENMOHFGVMS-LJQANCHMSA-N 433.603 2.451 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)CC1 1539643246 LPZODGBZSZXSCD-XMSQKQJNSA-N 425.533 2.473 30 10 IEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1539793459 FKEWSGVTZGMPSR-CYBMUJFWSA-N 429.912 2.128 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCS(=O)(=O)CC2)CC1 1539873776 DDVMRPWVFKAPIL-MRXNPFEDSA-N 426.583 2.229 30 10 IEEE N#Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)nc2n1CCOC2 1540003602 RITKQIQORDPKMP-CYBMUJFWSA-N 433.390 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540897976 WZXFBDYUEFPWLK-ZWKOTPCHSA-N 439.626 2.082 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(C)(OC)C1 1540906919 GROOKBWYANFPNN-UHFFFAOYSA-N 434.562 2.300 30 10 IEEE CC(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1541361245 AOOGOFXUDHJVFI-HXUWFJFHSA-N 433.516 2.263 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)o1 1542364104 BAVWFKWJLWIFHS-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1S(N)(=O)=O 1544227329 HOYHBYXBVGYERT-AWEZNQCLSA-N 446.916 2.413 30 10 IEEE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)O1 1545163532 JDJLQVYMWINMQT-FXAWDEMLSA-N 439.516 2.184 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cn2ccccc2n1 1555637941 YUXNIWXTDQCQPD-IIBYNOLFSA-N 427.484 2.334 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1555719498 GUYUMZKYUHWSGY-HSZRJFAPSA-N 441.532 2.254 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1O 1555940969 URWNPCZAIUPRIF-APWZRJJASA-N 443.573 2.381 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCCc2ccccc2)C1 1555986197 FPMWPCJJRSGGPM-HSZRJFAPSA-N 433.491 2.065 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1 1556981691 NUWDJNBRSCWUQO-OAQYLSRUSA-N 449.479 2.087 30 10 IEEE CC(C)(C)OC(=O)c1ccnc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1557542221 DVNNLXAPHHUARD-UHFFFAOYSA-N 430.486 2.104 30 10 IEEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C(=O)OC(C)(C)C 1558907807 KENZXNCKVQVNFA-VBKFSLOCSA-N 444.513 2.104 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(Cl)cc1F 1565003097 QIWQPNOEIVRKJC-QZTJIDSGSA-N 444.960 2.407 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1566308225 OAVHWBOFLHNKET-MOPGFXCFSA-N 425.570 2.186 30 10 IEEE C[C@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1585289911 ANUJSPYEJCKLSO-MWTRTKDXSA-N 426.517 2.022 30 10 IEEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c12 1587369777 ILWNZVYNQXHZGW-UHFFFAOYSA-N 430.436 2.464 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1587808600 UKMVLIXGIWSXTQ-RTBURBONSA-N 444.605 2.012 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CSCCS1 1587970201 RNHPKCVZBULSOX-CQSZACIVSA-N 436.632 2.156 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1588139080 LDYKQBOWGLCYNL-MBSDFSHPSA-N 445.564 2.066 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1N(C)CCCC1(C)C 1588159007 OETCSCAZZHSDDF-IBGZPJMESA-N 438.601 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1cnnn1 1588219211 OJXYHOKJHQSGDE-UHFFFAOYSA-N 427.472 2.140 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1589216639 UAVVPYCHPHLJGF-WIYYLYMNSA-N 433.622 2.437 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC(C)C)C1 1593735945 VEZFODRGUGGPEA-KRWDZBQOSA-N 447.536 2.229 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1595555808 HPEVCDMNIMIODM-UHFFFAOYSA-N 431.903 2.334 30 10 IEEE CC(C)(C)c1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1597048453 UFVVTMOYMZVRHN-HNENSFHCSA-N 430.553 2.091 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[Si](C)(C)c1ccccc1 1611339763 WHYUIQUKUAUXGQ-IBGZPJMESA-N 443.645 2.411 30 10 IEEE CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCOCC1 1611801497 HLNACIYOAUSKDP-UHFFFAOYSA-N 438.532 2.104 30 10 IEEE COC(=O)[C@@]1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC(C)(C)C1 1618115176 MHEPGIFACYKNSW-UZUQRXQVSA-N 440.500 2.391 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1618865943 ADEYLBXJCBFOQR-IBGZPJMESA-N 425.489 2.012 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1626233564 QBDLDMAGHTVJRB-CQSZACIVSA-N 425.327 2.176 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2c[nH]c3cccc(C#N)c23)cc1 1631548445 NRNMOTFQNHVDKS-UHFFFAOYSA-N 425.466 2.057 30 10 IEEE C[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[C@@H]1N1CCN(C)CC1 1631784439 RNWLCRGHKCZZPG-AABGKKOBSA-N 435.613 2.448 30 10 IEEE CC1(C#N)CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1632674303 HINQRDADBVKQKV-JOCHJYFZSA-N 437.537 2.486 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)cc1 1636599227 SCSSYAREYHWTNH-UHFFFAOYSA-N 449.536 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 1639775655 OMPLQBSJZGOABR-SFHVURJKSA-N 428.411 2.464 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cccc(F)c4C#N)C3)[C@@H]2C1 1643335151 ISGVXWSGZJSZDK-XWIAVFTESA-N 444.463 2.352 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1643765063 GDIQTRBFKQCZBK-IRXDYDNUSA-N 427.471 2.298 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCCCCNC(=O)CC1)CCCC2 1648611179 VMOOYHYQRKCFSF-SFHVURJKSA-N 441.576 2.348 30 10 IEEE C#CCN(CC(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1651038000 QOARKBLRXOTXAX-UHFFFAOYSA-N 429.561 2.390 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)CC1 1651375133 NJTCKDWPPHYRLI-QGZVFWFLSA-N 430.505 2.497 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3cc(F)cc(F)c3)C2=O)c1 1651878938 GAUXYOVHHMDFTP-OAQYLSRUSA-N 426.379 2.061 30 10 IEEE C=CCCC[C@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1652017023 JFMPAVFGWLBMER-PEGYKEAPSA-N 430.567 2.149 30 10 IEEE CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cc(Br)ccc1C#N)CC2 1654268333 COTGRQQXTOPRNX-CVEARBPZSA-N 429.336 2.261 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 1666286123 LIDIVRNMZNVXEU-UHFFFAOYSA-N 425.482 2.174 30 10 IEEE C=CC(C)(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1667040110 OZSNIZSLHKBBBA-MRXNPFEDSA-N 443.591 2.266 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2Oc2ccccc2)CC1 1668776446 LRGLRUBSFAHPSL-UHFFFAOYSA-N 432.477 2.235 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1677418969 UFRICEUPTDUDKI-UXHICEINSA-N 433.505 2.447 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCS1(=O)=O 1689840192 UTTOIRZEXKVRSH-ZDUSSCGKSA-N 425.917 2.231 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1689888894 TWCCEHHOCLGHNB-GOSISDBHSA-N 437.610 2.226 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1689989327 DGXPWOJMWZQXEF-AZUAARDMSA-N 446.548 2.099 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(=O)NCC)CCC1 1690010008 SHEKUCGQIYQOBH-UHFFFAOYSA-N 433.512 2.096 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690179237 RRQJEHLNTULTOH-NJNPRVFISA-N 427.574 2.403 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1690285578 FYYONFBGFXOQSY-SFHVURJKSA-N 428.512 2.275 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690485419 SJVAKNLCHJMBOU-GPMSIDNRSA-N 428.489 2.117 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1690597424 SVFHBXLWYCTZPZ-SFHVURJKSA-N 435.594 2.151 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1690673825 GIRBLRHIFPQRTF-UHFFFAOYSA-N 437.573 2.256 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@@](C)=O)CCC1 1691870541 DYBYNHPGFACJAK-AZYRPFHASA-N 442.593 2.079 30 10 IEEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697212481 HFCJDZMAFUKALI-GKEISQTQSA-N 444.536 2.051 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1697733146 VURWEDPRDLPXKT-HKUYNNGSSA-N 438.532 2.116 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCCO2)CCO1 1698493606 NGLRMZDGAGKBCT-IAGOWNOFSA-N 432.912 2.308 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCc1ccco1 1705479593 KAQRTSSFODMNBJ-GFCCVEGCSA-N 431.294 2.403 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnc1C 1705607115 QNFWRMACGOJQBZ-UHFFFAOYSA-N 426.546 2.403 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1705707621 OFIVAOYEVUBPKN-QFIPXVFZSA-N 448.637 2.124 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705779873 AIECQVOZHHCQCZ-AEFFLSMTSA-N 438.642 2.411 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC)c2)CC1 1705780298 DKKWEWIVPJTYNY-OAHLLOKOSA-N 449.577 2.356 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1705913630 TUEFJGCUKACJAI-PKOBYXMFSA-N 446.573 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCCOC1 1705932766 KCJNBYIOHYBBEK-MRXNPFEDSA-N 448.545 2.137 30 10 IEEE C[C@H]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1708012509 BSXACTAVKZEUBG-WMZOPIPTSA-N 428.562 2.335 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1712176268 WLYKMGIILGCYPX-XHSDSOJGSA-N 440.520 2.167 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@H](F)C1 1722375894 TYAXIQRUHGVISA-PKOBYXMFSA-N 443.548 2.406 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCC)CC1 1722434386 QOCQXLAIXLNAMZ-QHCPKHFHSA-N 427.549 2.269 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCCCC2)CC1 1722435352 GZGFEHSDEFWSCK-UHFFFAOYSA-N 439.560 2.413 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1722438147 ZGKYNDWJHWAMPB-FGZHOGPDSA-N 428.625 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(C)cc(OC)c2)CC1 1722451002 VDKJIFVRHQGMGO-OAQYLSRUSA-N 437.544 2.461 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722699383 HFHUTZLFKLIONO-LJQANCHMSA-N 440.548 2.194 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(=O)(=O)CC)C1 1722711768 IKBMKRWCHCTKHT-MRXNPFEDSA-N 444.561 2.147 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1722713800 DRHIXFHZDFMNSA-LJQANCHMSA-N 441.557 2.423 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1coc(-c2cccs2)n1 1723909826 CNVMGZWNTIKUTJ-OLZOCXBDSA-N 449.562 2.391 30 10 IEEE CCc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1727372118 HMHLCMIKIIQAEQ-VZCXRCSSSA-N 436.516 2.259 30 10 IEEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1729444683 CSOPVGLTUUWGHU-HNNXBMFYSA-N 428.543 2.344 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1740562178 IXXRCCUOLOOSIY-WCXIOVBPSA-N 444.580 2.421 30 10 IEEE C=CCCCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1740881323 DFUXUAYRQLCHGR-JTSKRJEESA-N 445.568 2.471 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCc1ccn(C)n1 1740914362 PWDGJTCLUANFDN-UHFFFAOYSA-N 432.532 2.457 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1740920480 OXHKPRKSZYZLAM-MRXNPFEDSA-N 449.602 2.203 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1741130802 OBUJDAOPHVGUPD-BZSNNMDCSA-N 448.568 2.404 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1741610109 ONMUQCNAHGSXPO-HXUWFJFHSA-N 438.580 2.106 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1746685494 UAJVXZPBZJUGMF-HNAYVOBHSA-N 425.480 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CCCO 1748657420 AXRLPINTGVMVOC-HKUYNNGSSA-N 425.533 2.021 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1748784982 WSVQAHQXBFJFAX-HSZRJFAPSA-N 436.516 2.111 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1748814347 DNPCJJMTUHTICT-GOSISDBHSA-N 429.546 2.014 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C(C)C)N1CCCC1 1748855955 NBNZHTCIHMTTHX-LJQANCHMSA-N 438.601 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCO[C@@H](C)C1 1748901278 VTKISSJRQIPVIT-QFIPXVFZSA-N 437.592 2.104 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)F)c1 1748962566 LFWGQIMSDKPVFO-QGZVFWFLSA-N 438.500 2.252 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Cc2cccs2)CC1 1748971295 KYFCBCKYDXOIGC-GOSISDBHSA-N 426.590 2.210 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749020029 IURWNABBTQMAGM-VGOFRKELSA-N 449.621 2.337 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749677305 VMROSAQXHRUTEY-RBUKOAKNSA-N 425.533 2.065 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1751397844 KHPDCPNHYNDUOQ-AEFFLSMTSA-N 439.520 2.058 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1760111203 KVAKPFSDEBECHJ-MRXNPFEDSA-N 447.543 2.099 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCC)c1 1760111717 RRVFFDYJEFYIST-HNNXBMFYSA-N 434.500 2.262 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1760126619 DQGKZSLHIXZDFJ-KURKYZTESA-N 434.585 2.085 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760186990 BTINBJYIUMMIOL-AOMKIAJQSA-N 441.557 2.214 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC=CCC1 1760208545 VLRQNOIRJDDIET-BGYRXZFFSA-N 438.576 2.384 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1760224473 LUSYZAHOYISXOO-OAQYLSRUSA-N 431.924 2.127 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760303929 CQWGCTQGWJFJEH-AWEZNQCLSA-N 440.367 2.324 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CC)C1 1760523221 PYBSIMYULHBFHY-INIZCTEOSA-N 445.593 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760556334 AFBCNOIQPQQHOC-SFHVURJKSA-N 433.578 2.116 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1760695175 BUJFLASYIYOSMS-AEFFLSMTSA-N 436.582 2.097 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 1761961765 XUNVSVKWSYCCEQ-HZPDHXFCSA-N 427.509 2.291 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1767767803 BPLYNUBAEWGYNS-AUSIDOKSSA-N 438.532 2.117 30 10 IEEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)C(F)(F)F 1768060661 NYZUIIPEPGVNGY-JJRVBVJISA-N 449.499 2.278 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCCN1CCC[C@@H]1CO 1768659600 FXAMKWVNFYNEHK-OAQYLSRUSA-N 446.559 2.480 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1769198910 FFTQUEGRHUMXEY-JKSUJKDBSA-N 434.566 2.216 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1769273168 SFBYKZKSATZYRT-LJQANCHMSA-N 436.495 2.226 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCCCCO)CCO2)c1 1771531803 DBINCHLPEMWTSP-HXUWFJFHSA-N 438.532 2.126 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)N1C[C@@H](C#N)[C@H](c2ccccc2Cl)C1 1851001301 KHHCUWUQAGXJNC-CRAIPNDOSA-N 441.919 2.492 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc(-c4cccc(Br)c4)[nH]n3)CC2)n1 1853209522 NZPHWSWPJJCZIO-UHFFFAOYSA-N 438.289 2.463 30 10 IEEE Cc1ccccc1OCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1855998026 SIHGPLRCGFMDLZ-UHFFFAOYSA-N 427.482 2.024 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CCc3cccc(Cl)c3)C(=O)O2)CC1 1856603750 PVNUBFRNLGDTRO-QGZVFWFLSA-N 439.921 2.185 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CC[C@@H](N4CCC(C#N)CC4)C3=O)nc12 1857306765 ZPGYYLKYPMQXIA-OAHLLOKOSA-N 427.530 2.104 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862606881 BSLNCHVLFIIRQC-ZUOKHONESA-N 425.437 2.426 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862609530 PAMGUPJFSNBKTP-CWTRNNRKSA-N 440.408 2.325 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1 1866726959 GZFWVMACZGEHOU-AZUAARDMSA-N 435.480 2.329 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870560079 GHAUCZJWJSBJKZ-HDICACEKSA-N 443.569 2.034 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874354156 USQJYGXOYASYAQ-LSHDLFTRSA-N 425.470 2.153 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(C(=O)O)cc1 1874470471 HJMILKRMJPNDBU-SSDVNMTOSA-N 443.485 2.049 30 10 IEEE Cc1ccc(-c2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n[nH]2)cc1 1889636543 XCVHAARSGAWDGX-UHFFFAOYSA-N 435.572 2.257 30 10 IEEE O=C(N[C@@H](CC[S@](=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1892259999 LVRMCUJHHZQIBR-JCOAXYOVSA-N 441.505 2.113 30 10 IEEE C=CCC1(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2014235988 NOUZFRMFPWOVBV-CVEARBPZSA-N 439.553 2.286 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141668314 RNFMMCOJTSMPHU-GDBMZVCRSA-N 447.341 2.344 30 10 IEEE Cc1nc(S(=O)(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c(Br)n1C 2150483879 BXWSGOASPNYXMK-UHFFFAOYSA-N 446.176 2.443 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c(N)c1 2162913316 GYNSIDHKCHKSEN-UHFFFAOYSA-N 428.514 2.468 30 10 IEEE Cc1nc(S(=O)(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)c(Br)n1C 2163715266 DQZRZKNXMWNYDT-ZSBIGDGJSA-N 446.176 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(c3ncc(Br)cc3C#N)CCN2C1=O 2174819903 RDNGUFHLVQREHO-UONOGXRCSA-N 436.310 2.030 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccc(C#N)nc1 2195273319 QUPPRUTVZCBIIX-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@@]2(C#N)N(CCO)C(=O)OC(C)(C)C 2244188929 WEXKWADVUZGGAK-LRWSGUAYSA-N 425.526 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248403299 FRHDKSMWFDPBRR-TZMCWYRMSA-N 437.371 2.219 30 10 IEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CC(N)=O)Cc1ccccc1 2255543253 FPROWTOHZMOKED-UHFFFAOYSA-N 425.338 2.325 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C 2255650502 PSEGORZPRKCHKZ-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2255695466 FJAIEIBVCFUGHQ-UHFFFAOYSA-N 433.358 2.406 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255701144 NBYVJUVXFRWADL-UHFFFAOYSA-N 431.342 2.320 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C(C)(C)CO 2255835501 WFPPQJGTZSWVRX-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE Cc1csc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2255836604 BGAOKXCCGPLPQH-NWDGAFQWSA-N 444.284 2.343 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2255873277 CRVUZJSCDFKIOW-GOEBONIOSA-N 433.358 2.450 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255879463 PMNVQPSWSOUMIA-LJQANCHMSA-N 426.322 2.031 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256018720 QNHPYCLGHZPEDR-UHFFFAOYSA-N 432.326 2.431 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001638 NSBGLJABVLOKLO-CQSZACIVSA-N 448.373 2.109 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)OC1(C)C 2267141549 KSWPPIJAHXFDKT-UHFFFAOYSA-N 438.215 2.140 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)nc2)OC1(C)C 2267173145 HOEJTHYUECUTQZ-AZUAARDMSA-N 434.349 2.122 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267188952 TUXNSCVCACKEST-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267193237 BOQAYDCEKJPCTP-JOCHJYFZSA-N 446.357 2.182 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267197147 JHUWOEXCXPHORA-CVEARBPZSA-N 446.357 2.036 30 10 IEEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CC1(C)OCCO1 2267366363 FJPQWJCFKRGERT-CYBMUJFWSA-N 431.385 2.115 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267476995 GISGCRGGQGVPQB-WFASDCNBSA-N 441.259 2.052 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267592415 DOVQANKZCISFEX-LSDHHAIUSA-N 446.357 2.009 30 10 IEEE C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267608885 JMKAYHDNZFJNJX-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881047 XBNVETFMXDNNQT-CABCVRRESA-N 446.357 2.009 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268716150 SYHKFENWCPIJDQ-HZPDHXFCSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268785025 JPXYBWUBLYGSFY-HZPDHXFCSA-N 447.341 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2300340856 VMSYUKXDTHKYII-ZIAGYGMSSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2315700440 YKQCVBXAWLOSRF-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2337179923 VXYQGPFAMZUEQE-RBUKOAKNSA-N 436.365 2.066 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2nc(C)cs2)n1N)c1ccc2c(c1)OCO2 21318379 WVEXZNKVTQUPJR-UFFVCSGVSA-N 446.518 2.052 30 10 IEEE Cc1ccc2c(c1)/C(=N/N=C1\NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S1)C(=O)N2 39843484 BIIIRRXHDJZAHW-HNNXBMFYSA-N 425.445 2.407 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)[nH]n2)c1 238875506 NYBULKHOWKPNLA-OAHLLOKOSA-N 434.456 2.439 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccccc3Cn3ccnc3)C2=O)cc1 443036539 FHUNJYWOJPPSFB-FQEVSTJZSA-N 435.509 2.277 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 460958661 PDTSTTGMHYSXQS-UHFFFAOYSA-N 449.577 2.399 30 10 IEEE Cc1cc2c(cc1C)[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CO2 471367469 UROBWTKTLYPGPO-IBGZPJMESA-N 425.510 2.184 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)c2ccccc2I)CC1 471597205 DEAGSVVSTBBWAS-UHFFFAOYSA-N 448.264 2.100 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 477448026 CYLKHJRMXQDTGV-AWEZNQCLSA-N 432.567 2.277 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 514408913 NKQHMPMHCIXZSX-HXUWFJFHSA-N 433.984 2.106 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC1CCN(C2CC2)CC1 516377513 YMTVXVLDHGDUIN-UHFFFAOYSA-N 432.638 2.328 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)NCCSCc2ccccc2C#N)C1=O 542108700 RFKZPSRMUNJBFF-GOSISDBHSA-N 426.546 2.015 30 10 IEEE COc1ccc(Br)cc1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 548267340 CUIMVDPYHHMRPS-OAHLLOKOSA-N 425.260 2.434 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 549534026 FDOUVWMWMUSYNK-QFIPXVFZSA-N 446.511 2.118 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n([C@@H](C)c2ccccc2)c1=O 560429274 DTTCUVYZWZJQBT-INIZCTEOSA-N 432.549 2.433 30 10 IEEE COc1cccc(-c2ccc(=O)n([C@H]3COC[C@@H]3Nc3nc4c(cc3C#N)COCC4)n2)c1 585628729 CDBONDBMQAVJQM-VXKWHMMOSA-N 445.479 2.310 30 10 IEEE N#CCn1ccc(C(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1=O 586557054 BRYNALZNWIKSRX-FQEVSTJZSA-N 439.468 2.456 30 10 IEEE COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586854579 NEYIAINDCAGTKW-INIZCTEOSA-N 430.867 2.371 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 604128961 FDIKHYKIRXUXAV-UHFFFAOYSA-N 447.587 2.387 30 10 IEEE Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n[nH]1 611431057 KQAJKHALLXWZIO-AWEZNQCLSA-N 427.578 2.460 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3cnn(C)c3C)nnc12 684160395 ZCZKXIHHYUGFOF-UHFFFAOYSA-N 437.529 2.023 30 10 IEEE C[C@H](OC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(=O)NC(=O)NCC(F)(F)F 729734109 BUKBHQSGILGMOU-ZETCQYMHSA-N 449.279 2.294 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732797619 SUJREEFWSYHIHI-UHFFFAOYSA-N 430.599 2.313 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C#N)c(Cl)c1 733200484 DMMKPMFVLSXEEW-KRWDZBQOSA-N 431.949 2.234 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(C#N)nc1 734600428 ALZKGDCHWLLNEZ-UHFFFAOYSA-N 445.273 2.278 30 10 IEEE COc1ccc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)cc1C#N 746922813 UEJVAVBTAWKWPT-SFHVURJKSA-N 433.555 2.283 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCCc2nnnn2-c2ccccc2)cc1 748410723 QBKWSZQRRKWDJB-UHFFFAOYSA-N 425.470 2.139 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 749373267 HEQWIQVJUBAFIL-UHFFFAOYSA-N 431.496 2.325 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCC1(C)OCCO1 758867305 YLVMZXBFVXNQJM-SFHVURJKSA-N 448.589 2.148 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2ncccc2C1 763223657 VZLDPFJIUAVKQS-UHFFFAOYSA-N 428.514 2.102 30 10 IEEE COc1ccc(S(=O)(=O)N(C)Cc2ccc(C#N)cc2)c(NS(=O)(=O)C(F)F)c1 769624552 LGYGWFQKOSAILS-UHFFFAOYSA-N 445.469 2.352 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 770866842 ALWMBXWQLGTWDP-IDNVRVLWSA-N 445.466 2.308 30 10 IEEE CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)cc(Br)c2)c1=O 772277844 RSGIZTUOWOQOIR-UHFFFAOYSA-N 434.359 2.028 30 10 IEEE C=CCN(CCc1ccco1)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 778996011 JMFZTDSPHJHFGU-YBFXNURJSA-N 443.569 2.455 30 10 IEEE COCc1ccsc1C(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 779197803 JUBHBSRGGXBVSB-UHFFFAOYSA-N 441.465 2.431 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 780174379 CBMJFFVAKFTXGW-JOCHJYFZSA-N 431.489 2.267 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CCC2=O)cc1C 788114334 OHFIFEUUMTZSFP-LJQANCHMSA-N 434.544 2.309 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2ccccc2OCC)n1 790105660 UZCSBGPRYXPDOL-OAQYLSRUSA-N 438.528 2.195 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CN2C(=O)CSc3ccccc32)c(=O)c1C#N 791172478 CFUSZMGKVWASLS-UHFFFAOYSA-N 447.314 2.308 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccc3ncccc3c2)sc(=Cc2ccoc2)c1=O 794582159 SMHJORHROUSJRL-UHFFFAOYSA-N 431.473 2.083 30 10 IEEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 798364071 IKLSUCAQQKNUSO-VQIMIIECSA-N 444.557 2.073 30 10 IEEE CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)sc2c1CC[C@@H](C)C2 798742099 ZQJUZVSWTRJLLB-NEPJUHHUSA-N 445.501 2.256 30 10 IEEE COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 802526779 JIGHSZDZJWSMKT-UHFFFAOYSA-N 449.515 2.202 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 809889923 PCAMFIGEUBCDDH-ULQDDVLXSA-N 437.541 2.013 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(Cl)cc1 810472291 IFDUQIIZZNLOFT-IBGZPJMESA-N 445.928 2.004 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 812177426 GNSSUXPBHRRBEP-KSFYIVLOSA-N 448.568 2.125 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c1 1083993131 MCZGXNPAQNVYEX-CQSZACIVSA-N 425.518 2.416 30 10 IEEE CCNC(=O)CCSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084556224 JYQWGCHMNDBIRC-UHFFFAOYSA-N 441.565 2.429 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)ccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1116473207 IFDZQDVJSNIRFL-CQSZACIVSA-N 437.319 2.289 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1 1130952026 AMXLMGPOWXFZTG-UHFFFAOYSA-N 438.513 2.479 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1136659539 IJCQOTBVSUUWOB-LJQANCHMSA-N 436.597 2.393 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1137280387 QDHWNAMIPKFIJM-NNPSNHGLSA-N 431.533 2.159 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1159641161 FKCVLVVNAKNAPT-HUUCEWRRSA-N 442.285 2.079 30 10 IEEE COC(=O)C1=NO[C@@]2(CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)C2)C1 1175503917 SWJZDWZWCDCZLS-DEOSSOPVSA-N 449.511 2.357 30 10 IEEE C=CCN(CC(=O)OCC)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 1190635253 GXLOXPWUCHWNJF-UHFFFAOYSA-N 440.338 2.206 30 10 IEEE COC[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@@H]1CCCOC1 1197844914 PTLFMESUVOJRCO-OPYAIIAOSA-N 444.576 2.387 30 10 IEEE C=CCC1(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CCCCC1 1221808441 YUVGZEXUMBZALE-UHFFFAOYSA-N 436.358 2.489 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@@]4(C)NC(=O)N(C)C4=O)cc3)cc2C1=O 1277442954 GRHIXKJWTDLDAW-HSZRJFAPSA-N 432.436 2.118 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1286298233 HMEGCQQVZWMKIY-GJZGRUSLSA-N 433.603 2.216 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(C)o1 1286495887 HQTFNLOXNNTMMT-HOTGVXAUSA-N 437.591 2.498 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286554154 GWJYQVVAUJLOMU-MHORFTMASA-N 426.583 2.370 30 10 IEEE C=C(C)Cn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286598746 BDESIQRIBAQRTJ-OFNKIYASSA-N 433.597 2.443 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286627792 PWZWYEYYNRHRNM-AWEZNQCLSA-N 434.928 2.451 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286689667 YKHZPQYQGVJISH-HSZRJFAPSA-N 437.548 2.435 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286784938 ZEHKDQFKXKYHGU-KRWDZBQOSA-N 444.967 2.059 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(c2ccccc2CO)CC1 1286789853 YBBUWDHRYKXMNC-UHFFFAOYSA-N 446.555 2.442 30 10 IEEE N#CCCN(C(=O)CCC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1ccccc1 1288501118 KKMWXPROZAFXCC-UHFFFAOYSA-N 440.481 2.078 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1288540806 PSKBDEZJSXHYLQ-MRXNPFEDSA-N 426.521 2.103 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293272365 LUINSMKYZQRQMK-MEFWESNSSA-N 428.537 2.323 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OCC)CCOC1 1296250848 GWTVGMFSPYTZOK-JOCHJYFZSA-N 432.569 2.223 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCOCC1 1299121014 RXBMMZRSGQZKIX-SFHVURJKSA-N 425.570 2.234 30 10 IEEE CC#CC[C@H](CO)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1300299633 AWRNJSBAFKGTSQ-SNVBAGLBSA-N 426.292 2.184 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1300382429 TUMMOTMMNKLTAL-IBGZPJMESA-N 436.560 2.476 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(CO)c2)CC1 1300710789 LIBVBJGBYQRPDL-FGZHOGPDSA-N 437.588 2.493 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2OC)CC1 1300763333 OGWBUPNEPRJMGR-GOSISDBHSA-N 427.574 2.484 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCOC 1300789649 SKBBTZZCXVOION-FGZHOGPDSA-N 446.573 2.128 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1300801068 HECNJIKDLTVRKK-DYESRHJHSA-N 431.491 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N(C)C)CCSC1 1300820103 YURHQJCYDVPOSV-HXHBTQRASA-N 433.622 2.432 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](NC(C)=O)C1 1300831056 QQLNXKJIGKZUBS-HIFRSBDPSA-N 430.347 2.016 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300844767 SIRAOBAIHLQPAQ-KGLIPLIRSA-N 439.314 2.350 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1300918609 BTQSTUWYDFJQHS-JOCHJYFZSA-N 443.573 2.302 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1300921616 UOWQFLNLQUDCRI-UHFFFAOYSA-N 431.562 2.255 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](COC)C1 1301226369 PAAHLMVBQNDWMT-QGZVFWFLSA-N 438.488 2.384 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1301260260 WKENSMBHDMJONY-GOSISDBHSA-N 427.505 2.111 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1=O 1301294067 LWOVDIRMWLUTGT-UHFFFAOYSA-N 438.580 2.477 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1)C1CC1 1301312908 QYHAQUGQPPCSBM-UHFFFAOYSA-N 443.573 2.262 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1301370396 AQOPHVZGMKGTLF-UHFFFAOYSA-N 429.546 2.144 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@]1(OCC)CCOC1 1301621342 VWYDTUDSUJJMIP-UZLBHIALSA-N 433.582 2.319 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCCCC1 1302092350 IOPJKANUZHDAEE-TZIWHRDSSA-N 445.612 2.055 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)C1 1303556410 GPVNKPADZJLQFH-IBGZPJMESA-N 431.558 2.139 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(SC)CCN(C)CC1 1306154482 ZGPWLEZWEVLBSQ-UHFFFAOYSA-N 427.578 2.203 30 10 IEEE Cc1cc(Br)c(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)s1 1306877992 NVNGWPVWIHEPBE-UHFFFAOYSA-N 428.333 2.285 30 10 IEEE CN(C(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1)C1CCCCC1 1314619462 FURBHGUPEOIYQF-UHFFFAOYSA-N 441.580 2.435 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccsc1)N(C)C 1316212725 XQAVDBPQABINFA-NJAFHUGGSA-N 434.566 2.095 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)c1c(C)noc1C 1316297264 JBGZINKMDPKDCQ-DOEAQHAXSA-N 430.509 2.139 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NCC(=O)Nc2ccc(I)cc2)C1 1323301228 XHTSEDKDIGGXIY-CQSZACIVSA-N 429.258 2.216 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1=O 1358877313 BGYSNXFZXGVYKF-QGZVFWFLSA-N 443.573 2.209 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1358903944 OUTORHMWQUHMSG-MRXNPFEDSA-N 442.951 2.332 30 10 IEEE C#CCCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358917402 PQLQXWVUOXLAMR-OAQYLSRUSA-N 438.594 2.136 30 10 IEEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358946126 JSSDCRUQWMJQFV-NRFANRHFSA-N 433.560 2.439 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359156923 SZMHFVKDCPWPTQ-BBTUJRGHSA-N 439.988 2.230 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1)C1CC1 1359247119 SUDWIEIBHYVQCL-OAHLLOKOSA-N 447.561 2.137 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359302135 XNBAVLXLBXKREP-YGKZAACZSA-N 443.523 2.083 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359341881 JQRSTLNWCFABIZ-GJZGRUSLSA-N 447.565 2.233 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359344243 QEOQHUFMDAFURS-SJLPKXTDSA-N 434.537 2.287 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359585601 HSWRHOSTJUZDIC-IEBWSBKVSA-N 438.532 2.259 30 10 IEEE N#CCNC(=O)Cc1cc(I)cc(I)c1 1442983149 JENSVGGNDHPVJA-UHFFFAOYSA-N 425.995 2.078 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1446135143 BRWAUZAGJFEVIC-BRWVUGGUSA-N 428.537 2.278 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)COC1 1448003398 FJEMGOOGHLHLSJ-UHFFFAOYSA-N 430.505 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCn1cccnc1=O 1449063131 RADLVDQFBKLVPQ-LJQANCHMSA-N 437.500 2.156 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CC4(CCOCC4)CC[C@H]3CO)CC2=O)cc1Cl 1456058325 MLCCMECLCMTMQR-AEFFLSMTSA-N 431.920 2.345 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1)[C@H]1CCCO1 1469867854 LUGLFMSAZOXTMP-XKGZKEIXSA-N 433.936 2.450 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 1469876330 FDIJEWPPBFVNLX-MRXNPFEDSA-N 433.892 2.349 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccccc3)C1)C2 1472224559 FUYVHOMPLDHHOS-CQSZACIVSA-N 430.555 2.188 30 10 IEEE Cc1cccc(C(=O)NCCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)c1 1492478394 LDLCSTUTDDOMJO-MRXNPFEDSA-N 449.515 2.340 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 1505143116 ARKBKGAQBHNYSC-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCOCC(F)F)CCN1C1CC1 1505322978 CQZROCQZRKISDW-GOSISDBHSA-N 431.491 2.112 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1507633061 CIOCQUXAVLPXAB-SFHVURJKSA-N 428.489 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CC)CCOCC1 1507647628 FHURTQHAALEKES-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)NC(C)(C)C 1507707954 FNYBDYAKRFRQMQ-UHFFFAOYSA-N 441.532 2.107 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCS(C)(=O)=O 1507793063 BYOMKUTWNKSTJA-HKUYNNGSSA-N 434.562 2.416 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507916215 LZVXWQZKEAJCSV-QGZVFWFLSA-N 425.599 2.246 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2C2CCC2)nnc1[C@]1(OCC)CCOC1 1508150103 ZQLZOXLUYFAERU-RXVVDRJESA-N 438.594 2.300 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508164108 YOXPOOYOHZNOBI-IBGZPJMESA-N 431.610 2.147 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1(C)C 1512284939 HPQZZRDTFALVBB-AOMKIAJQSA-N 443.573 2.239 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1514502142 GQFJIBMNOZHVOF-HXUWFJFHSA-N 449.559 2.228 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1516971897 FBDOJYHFKBDWOX-LJQANCHMSA-N 448.531 2.064 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1517411258 DERRJFYNGXBNEP-OALUTQOASA-N 448.369 2.232 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)ccc1F 1529888229 ZPLRHFBSQAMGOI-AWEZNQCLSA-N 446.504 2.311 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3nc(C4CCOCC4)ns3)C2=O)cc1 1532021440 QVCJVHIODVRANG-OAHLLOKOSA-N 440.485 2.147 30 10 IEEE C[C@@H](C(=O)NC(C)(C)Cc1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1538217584 GSHSALWERDCTFE-INIZCTEOSA-N 428.533 2.463 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(I)cc1 1539141346 FWMYAIUAGODHHE-UHFFFAOYSA-N 449.296 2.236 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1539153601 GHBWPIHPAJERDC-JOCHJYFZSA-N 433.553 2.399 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCNC(=O)c1cccs1 1539196107 BEQXCWTUHTUPHN-UHFFFAOYSA-N 425.514 2.427 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCc2nccn2C1 1539278460 DDBZASHTLCFPSC-IBGZPJMESA-N 430.512 2.398 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1539384072 VVCOBHNKEBULKR-KRWDZBQOSA-N 428.541 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CN(C2CC2)C1=O 1539402720 HTVJHBRYLDIYKG-NRFANRHFSA-N 428.924 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)C2CCCC2)CC1 1539480847 FJKQCWQZSKKJDN-OAQYLSRUSA-N 442.608 2.360 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1540189656 YHQBZHSVIYEHGP-SFHVURJKSA-N 440.548 2.143 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1540853674 ISTWXHURYMERQC-OAHLLOKOSA-N 429.546 2.100 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)OC)CC1 1540862562 FFMUGUIIXRTPOZ-HNNXBMFYSA-N 445.495 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1540864997 REJWRRRCZRZBHA-ZBFHGGJFSA-N 426.546 2.162 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540865182 XKYQGXNUHGLOEY-HNNXBMFYSA-N 425.411 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540867840 JSAPBAFRYPIRAP-HXUWFJFHSA-N 431.500 2.035 30 10 IEEE C[C@@H](CN1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1542160493 WHTNIKFFVIHMPZ-DVCONVQISA-N 436.578 2.186 30 10 IEEE CCOCCCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1548238165 WTFFRNCLCWZMAK-UHFFFAOYSA-N 449.563 2.397 30 10 IEEE CC[S@](=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1552443895 QEZRYZAZPPOFFJ-PMERELPUSA-N 429.594 2.229 30 10 IEEE Cc1cn2c(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c(C)nc2s1 1556744291 KYPAVIPWUXZOID-UHFFFAOYSA-N 431.543 2.148 30 10 IEEE CCC1(CC)CNC(=O)[C@@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1558540049 VBKGFJSZLDWUJI-KRWDZBQOSA-N 425.489 2.444 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc1Br 1561614432 GYOWMZZTILCZJK-NSHDSACASA-N 430.299 2.093 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 1564313613 AQWACLMBOZKRCC-SFHVURJKSA-N 435.366 2.183 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)cn1 1564562203 DTFKMAWJNKGOEY-HSZRJFAPSA-N 434.544 2.076 30 10 IEEE C=C(C)[C@@H](CC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)OCC 1585910676 KCNNVZMOUTZAQC-JOCHJYFZSA-N 428.577 2.440 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045517 MDAHLNSRGYUUHL-IPMKNSEASA-N 443.573 2.172 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588058883 DXGKMTGNGXQKHR-OAQYLSRUSA-N 440.569 2.151 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1588069693 SMDZGMHKGKTSME-IBGZPJMESA-N 439.541 2.156 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1588385501 IDXUNCJPPRINJB-UHFFFAOYSA-N 444.543 2.059 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)C1CC1 1588581088 GBTGERFHCIENDS-UHFFFAOYSA-N 432.528 2.414 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1588696532 MDMYXPRHOQBNKA-IBGZPJMESA-N 443.523 2.341 30 10 IEEE C=C(Br)Cn1c(N2CCC(CO)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589460504 RBTKTZBAUUWYCF-GOSISDBHSA-N 429.359 2.436 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1594858295 YGBTZICMZMNXGH-CZUORRHYSA-N 442.536 2.092 30 10 IEEE O=C(N[C@@H](CO)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)n1 1595486420 BWRNLDMHVARBRX-XNDJQWLSSA-N 445.335 2.337 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1595569656 MJBORPZCGDUORK-PZJWPPBQSA-N 449.559 2.408 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C(F)(F)C23CCC3)C1 1595674914 VSCQXFKUGXKNHB-RRFJBIMHSA-N 445.536 2.105 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 1595760806 UCNNRRIHWSEHRT-UHFFFAOYSA-N 447.605 2.333 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1606936556 XXQDXDMDFGJUAJ-DQYPLSBCSA-N 437.493 2.393 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C1 1607572705 GVIMMCUHSAEYIX-HXUWFJFHSA-N 443.596 2.001 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1611291867 HEZSXBBCKGRPTB-HNNXBMFYSA-N 443.529 2.369 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)C1 1611774970 PMLKJWDEIZOTIU-HSZRJFAPSA-N 438.532 2.104 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@](C)(O)c2ccccc2)n1 1612502419 HOAYTGYJHILXPD-NFBKMPQASA-N 435.532 2.166 30 10 IEEE COCCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619849926 LYFOTSRBUQXKLL-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1620838209 IGFYUCNCBAUOAU-HNNXBMFYSA-N 440.493 2.200 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(C2CCOCC2)n1 1629583305 GADCCRBJSWKENZ-QGZVFWFLSA-N 445.545 2.471 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3nccc(Br)c3O)C2=O)cc1 1634616539 QBRYCGXMZPYQKV-CYBMUJFWSA-N 444.245 2.265 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1637675285 OGVVERZJHKEKHE-IRXDYDNUSA-N 435.546 2.088 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cc(C#N)c(F)cc2C)cc1 1639031337 XZFIDHZNCZEECK-UHFFFAOYSA-N 446.504 2.405 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)C2)cc1 1639988977 BPHUNCWBLAOJLR-OAHLLOKOSA-N 444.582 2.496 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1 1645700090 GIDWBCFTRUVFKE-CYBMUJFWSA-N 430.486 2.214 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1649582735 IUJQKLWLKNZTHC-QZTJIDSGSA-N 441.488 2.394 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(Br)c(OC)cc2OC)nn1 1664906662 BCSQQZKSMLFZBL-UHFFFAOYSA-N 431.312 2.112 30 10 IEEE CC(C)(CC#N)CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1673508157 JFQVYAUEVXNUPF-OAGGEKHMSA-N 435.525 2.150 30 10 IEEE Cc1ccc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cc1 1681226365 GAZWFRLHAZJXRN-SJLPKXTDSA-N 427.505 2.112 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1684642023 XDFNAIVUDGTEFO-HXUWFJFHSA-N 428.533 2.447 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1689830506 ASGKMSHFXQDHOW-UZUQRXQVSA-N 425.533 2.186 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCOC[C@H]1OC 1689998823 XVPXNENKCUQQOT-TZIWHRDSSA-N 435.528 2.272 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1690019643 NUKBZVJWVSWHJT-QFIPXVFZSA-N 449.555 2.099 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CSc2ccccc21 1690092715 SCFDHFUQGJQCBA-QGZVFWFLSA-N 425.558 2.490 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCN1CCN(C(C)=O)CC1 1690521088 PJELLKAETQOGFQ-UHFFFAOYSA-N 447.381 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690673139 PFMFTVZMXQJUAO-HXOBKFHXSA-N 443.523 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)C1 1690700643 VQEJSIFFGWMWMP-ICSRJNTNSA-N 445.589 2.076 30 10 IEEE CC(C)c1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691835686 TXZODSZLEZEMDV-JLUOLNIDSA-N 428.537 2.323 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1696490108 TWMSIGVOMIILFU-IAGOWNOFSA-N 446.577 2.102 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCCCCC1 1698136469 XMJFDUPQYNMTPJ-UTKZUKDTSA-N 436.532 2.237 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1698297561 AFDRGTZUVJXAIA-UHFFFAOYSA-N 439.488 2.459 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(C4CCC4)n3CCSCCCO)CC2)c1 1698489076 PEVNXJWMQPHNTF-UHFFFAOYSA-N 427.578 2.254 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571251 XTZJARYKHGKKSW-YSIASYRMSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC(=O)NCC(F)(F)F 1705587198 LKQXKVRHZSBFBY-UHFFFAOYSA-N 433.434 2.171 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1705611399 BJXVBIATJIAJFF-HKBQPEDESA-N 440.573 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCOC[C@@H]1C 1705622354 GGWSSTNCJMXQFR-IBGZPJMESA-N 449.559 2.142 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCc2nnc(C)s2)CC1 1705641858 WRKSQCTYGHBRHG-UHFFFAOYSA-N 437.573 2.057 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1705664431 OXZAKCILKAXLMV-UHFFFAOYSA-N 438.557 2.058 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705888411 WJYZFCHXSSTXKJ-IEBWSBKVSA-N 431.562 2.387 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1c(C)noc1C 1705906154 UXQBGCJYRQIEEI-UHFFFAOYSA-N 434.504 2.060 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CC)C2)C1 1705917178 RAZROMYRBPEWOO-VIZSFHNOSA-N 433.597 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1705932573 HAGKMSCNEYDOCF-MRXNPFEDSA-N 445.524 2.118 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1cccs1 1705938264 SRYBQUMXSDCGIJ-INIZCTEOSA-N 449.602 2.404 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706057549 KNKHIBJFDMHANF-IBGZPJMESA-N 427.940 2.301 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(N(C)C)CCSC2)CCOC1 1706068145 FQPYOFHKVZRRRK-DUXKGJEZSA-N 436.626 2.352 30 10 IEEE CC(C)(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1706095420 HDJYPTLQGJOLKL-VGSWGCGISA-N 442.495 2.395 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1709656534 OLSGNAUMBXFFFC-INIZCTEOSA-N 434.504 2.381 30 10 IEEE CCN1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1710300603 FEHRRTHZFLBNAK-QHCPKHFHSA-N 443.546 2.478 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1712510939 UKXJTAZZYZSFCO-QFBILLFUSA-N 440.548 2.425 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1722329283 DUSMJGRFGKVQHM-INIZCTEOSA-N 434.500 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC 1722397122 NEXQAVLMOMWHQV-GOSISDBHSA-N 431.537 2.086 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722462701 RBHOZZOZFTZLOE-GOSISDBHSA-N 441.601 2.495 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722591423 MZFGRZUOKNXOOT-MSOLQXFVSA-N 439.626 2.492 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722620033 HZAXXZZPOAOHIJ-QZTJIDSGSA-N 425.537 2.191 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722629424 KOEPHPQNZLLWPO-LJQANCHMSA-N 427.553 2.108 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722640244 CIMGIALYDIRXQJ-MWDXBVQZSA-N 430.553 2.354 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722693775 ZUMSFOLOJQZIHE-LJQANCHMSA-N 435.532 2.499 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)OC)C1 1722712554 VGEPUZPQLBXWRH-HOTGVXAUSA-N 434.566 2.054 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](C)C1 1722727606 JZCGLRFEWVAEEF-BXWFABGCSA-N 448.545 2.005 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCSCC(F)(F)F)CC2)c1C#N 1725861256 HCZPEFHHTZEFDG-UHFFFAOYSA-N 428.488 2.122 30 10 IEEE CCCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@](F)(C#N)C1 1728207480 HCHDYCFNYQVNJQ-OAQYLSRUSA-N 430.484 2.224 30 10 IEEE CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1729224223 FZKBUWNJZMVQOC-UHFFFAOYSA-N 444.561 2.014 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1740620980 JDHMNRHJRMFLKS-KRWDZBQOSA-N 447.580 2.299 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1740623993 BSUOXRIOFASCEQ-RXVVDRJESA-N 445.614 2.176 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1c2ccccc2C[C@@H]1C 1740644795 URFLGFIBNBPDHN-FQEVSTJZSA-N 430.556 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1740683333 CETGWUSITVJFGH-QGZVFWFLSA-N 441.557 2.337 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCCC[C@H]2C)CC1 1740708113 CCORRUNPVKIQJA-LJQANCHMSA-N 426.609 2.461 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1740781537 MMDDBLUGIXFZDF-OAQYLSRUSA-N 437.592 2.059 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740786745 MZYIAHKZHZOIEQ-GOSISDBHSA-N 440.548 2.407 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740796086 NJTXBJWHRLQLFF-HXUWFJFHSA-N 443.596 2.473 30 10 IEEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740797058 KDGSZNPIQTVNEB-IBGZPJMESA-N 445.589 2.423 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1740864268 LKDJINLTQDWATB-SFHVURJKSA-N 437.610 2.279 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1740930563 WGSDRCSNNWOACU-UHFFFAOYSA-N 435.532 2.239 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1740952277 YQJCDYHRKOGDRT-HOTGVXAUSA-N 445.495 2.249 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)C(C)C 1743743084 AOLSHVACRLBCOJ-QGZVFWFLSA-N 427.601 2.372 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1745801625 HRMZDOFYJPLOEM-LJQANCHMSA-N 426.521 2.116 30 10 IEEE CN(CCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)Cc1ccc(F)cc1 1747959361 FHBSEDLJOLIFDU-UHFFFAOYSA-N 439.539 2.412 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCSC)CCO1 1748206286 DFTRWPHJEWVGNX-GOSISDBHSA-N 428.562 2.301 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1748747074 CABGVILQRCKMCA-PKOBYXMFSA-N 426.565 2.118 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2OC(F)F)CC1 1748986594 CRKPQUHRJIFNNN-UHFFFAOYSA-N 441.486 2.278 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1749120080 ABGIXHMLBGGVPB-WQJYWUQFSA-N 444.624 2.385 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749220607 LHMKTMCPGZDLMY-IBGZPJMESA-N 425.537 2.287 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)OC 1749997280 KHYDGTFYGHWYHP-QGZVFWFLSA-N 443.552 2.020 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750068898 GRJUJHNKOTYOLU-CVEARBPZSA-N 441.561 2.304 30 10 IEEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)F)CC2)COCCO1 1751302729 CEAMLLHHRIZZCY-OAQYLSRUSA-N 432.475 2.009 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)(F)C(F)F)cs1 1751782312 DQQBCZRYIHJDKA-CYBMUJFWSA-N 448.446 2.280 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1OCCC1(C)C 1760173112 JZLAMTWLPUPQHY-SFHVURJKSA-N 431.562 2.080 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)NC 1760209984 LJFKDIHBMOEDNA-IBGZPJMESA-N 443.573 2.047 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1760261216 IJSVSJNTJVKHET-UHFFFAOYSA-N 443.617 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(C)c2C)CC1 1760270706 WWODSBGBAAIKDB-UHFFFAOYSA-N 449.534 2.064 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760378318 GOJDJPMSGIFPRH-OAHLLOKOSA-N 436.969 2.375 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCCOC)CC1 1760389551 MZYUFRBJURNPBC-IBGZPJMESA-N 446.573 2.410 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760452575 NWCAIVDRRILMJV-GOSISDBHSA-N 438.532 2.499 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@H]1C 1760482879 UXLDOEWXPCMZSV-HXUWFJFHSA-N 438.576 2.314 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760518704 DAIGESBTVULVSR-IBGZPJMESA-N 429.484 2.172 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCCn1cc(CO)nn1 1763036455 NTJVEYBWMJIKMG-FQEVSTJZSA-N 434.548 2.345 30 10 IEEE CCN(CC(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1764853810 IBGUGOBCQVBWMG-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE CCCN(CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1766032162 FLUTVIJKNAYGLA-IRXDYDNUSA-N 434.541 2.158 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(F)c1 1766885793 DWYBZOURKRTSOZ-PGRDOPGGSA-N 443.502 2.398 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)C[C@H]1O 1769449761 SPGCWNFYDHZSMZ-HMFYCAOWSA-N 441.557 2.463 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSCCCO)CCO1 1770748049 WAQWVYKVFNSUBC-QGZVFWFLSA-N 439.545 2.180 30 10 IEEE Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)N(C)CCC#N)CC4)c3CO2)cc1 1850476229 MKFOBIINSUCMMP-HXUWFJFHSA-N 436.516 2.082 30 10 IEEE CS(=O)(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1852093467 GQALFCCYQNTKFI-UHFFFAOYSA-N 433.917 2.343 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)c1ccc(CC#N)cc1 1853016392 KQROCVWYUOUOSB-UHFFFAOYSA-N 443.525 2.449 30 10 IEEE CCOc1ccc(CN2C[C@H](C(=O)Nc3c(C#N)c(C)nn3C)CC2=O)cc1OCC 1853395583 ROWYUAUMXVYNJO-MRXNPFEDSA-N 425.489 2.385 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(C)sc2-n2cccc2)C1=O 1854242855 XLYASLXWPQHENF-QZTJIDSGSA-N 426.542 2.307 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2cccc(Cl)c2)C(=O)C12CCCCC2 1854415027 WTHFKSBVMVZMSB-UHFFFAOYSA-N 437.949 2.500 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)[C@H](C)C2=O)cc1C#N 1857098886 OEHARDDHDKKRAA-OAHLLOKOSA-N 429.473 2.209 30 10 IEEE N#Cc1cccc(C(=O)Nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc2)c1 1858277821 PPPZFOBOLONDKT-UHFFFAOYSA-N 425.404 2.440 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCCC)cc1 1874432500 JFLIEGAGOPHESJ-FSJBWODESA-N 432.550 2.204 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCOCC2 2059338708 QWARROOMBMVGRW-UHFFFAOYSA-N 439.372 2.327 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@@H]4CCN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2116069802 VMJXRPWYDWJOJJ-LEWJYISDSA-N 436.365 2.256 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2124536895 UZUKZBNASOTIFL-UHFFFAOYSA-N 447.345 2.297 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1nc(O)nc(O)c1Br 2125880163 CYUIBWKMMQKFOQ-MRVPVSSYSA-N 430.259 2.176 30 10 IEEE Cn1ncc(CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)c1NC(=O)OC(C)(C)C 2224095502 PXPAHJDVRRNRIF-UHFFFAOYSA-N 429.330 2.495 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)COC1 2247904524 BRXIKQJJFQJIBG-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628399 HQGGGLANSBZCRX-ZIAGYGMSSA-N 434.346 2.275 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2255648090 ILEPEOYVTHQZMI-GOSISDBHSA-N 426.322 2.210 30 10 IEEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255827142 VOOGPULLSOZPFJ-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256671955 ZTHGOBTXFGSULP-OAHLLOKOSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]1C1CC1 2267142220 REBMFKPAMTYRIJ-RHSMWYFYSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2267145130 BFAJKAZZCHUYOO-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267146986 QYWOVDXNULWFEQ-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1 2267151289 INHGILULZFJGPT-UHFFFAOYSA-N 448.373 2.403 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2267155712 XQNHUWRYKYUQDO-GJZGRUSLSA-N 448.373 2.155 30 10 IEEE C[C@H]1C[C@H](N(C)C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1Cc1ccccc1 2267188118 HXSOKMDCEQBEDO-HKUYNNGSSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267273993 UHWQPOJITKBGPG-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)n1 2267504020 MFEBBYDYAYIWAF-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267524867 WHVFBYAQYKAEFB-JOCHJYFZSA-N 448.373 2.332 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)n1 2267527100 BNWVZWCQVSOXEI-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE Cn1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)cc1B1OC(C)(C)C(C)(C)O1 2267541949 KZTSWTKKEUCSFU-MRXNPFEDSA-N 448.373 2.143 30 10 IEEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267877225 RVWHDNLCJGWANQ-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2302368159 SNEBRNRGRWWKEX-SBUREZEXSA-N 430.501 2.423 30 10 IEEE COc1[nH]c(=N[C@H](CCO)COCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2320505706 XDDCCZOACRUVTO-GOSISDBHSA-N 428.338 2.191 30 10 IEEE CC1(C)OB(c2ccc(Cn3cc(F)c(O)nc3=O)cc2Br)OC1(C)C 2377406253 AAZQEJXATLNPFD-UHFFFAOYSA-N 425.063 2.198 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccc(N)cc1 59309511 XZHUWCWLSCQWHB-WYMPLXKRSA-N 439.501 2.360 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc1 59309942 MRDMRQPJUQLAGT-SSDVNMTOSA-N 442.549 2.061 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1 96573420 ZPPFEPDHPQTHNL-WZONZLPQSA-N 429.517 2.172 30 10 IEEE CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 428373795 MWWLSOMLVOVGDH-HNNXBMFYSA-N 427.404 2.425 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C 469363483 MNCJHSCCCZRSAU-AUUYWEPGSA-N 428.514 2.249 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@@H]1c1cncn1C 476047496 VDPUWFPQMYUGGC-YZUZCNPQSA-N 448.571 2.346 30 10 IEEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1 481055994 UZAAKAGVCBUAGO-QGZVFWFLSA-N 445.516 2.447 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 508998234 MESQFLRTSYULKE-HOCLYGCPSA-N 432.912 2.456 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 522121839 XAXVXLQUNRIFOG-INIZCTEOSA-N 432.527 2.464 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccnc1N1CCC(CO)CC1 522290246 PYERFWOFKJCWOQ-UHFFFAOYSA-N 433.516 2.393 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 534129251 VOXLQAYIWUYYSO-PNHOKKKMSA-N 446.960 2.440 30 10 IEEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 549321157 HXNCROIMDNHXIA-SFHVURJKSA-N 425.599 2.074 30 10 IEEE COC[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccccc1 552542143 ARQUNFXYADDBKZ-QFIPXVFZSA-N 443.507 2.259 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 553682406 GDSYZUJRAYCUMX-IAGOWNOFSA-N 434.496 2.244 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(CCc4ccco4)n3C[C@H]3CCCO3)CC2)c1 559104275 WNZYNOLGTRYYDZ-HXUWFJFHSA-N 433.516 2.429 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCO1 559184590 DWUNKEMYCQYXBD-WMZOPIPTSA-N 446.577 2.360 30 10 IEEE COC(=O)c1ccc([C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C(F)(F)F)cc1 582204432 VUJNXHGGPUUMJK-MRXNPFEDSA-N 427.404 2.407 30 10 IEEE COc1ccc(C(=O)OCCN2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] 586388454 PAYVBMZRZIARGO-UHFFFAOYSA-N 438.440 2.090 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c(F)c1 609229331 GBZRQACSLKLTAK-INIZCTEOSA-N 446.460 2.323 30 10 IEEE Cn1c([C@@H]2CCS(=O)(=O)C2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903296 KKJJVPISFLGYJZ-MRXNPFEDSA-N 447.586 2.226 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCCc2cnn(C)c2)C1=O 730141392 JTUGMJYAXMRJCD-LJQANCHMSA-N 442.589 2.052 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1C[C@H]1CCCO1 730724167 LAYCKGCKMAZLRN-WBVHZDCISA-N 436.497 2.488 30 10 IEEE C[C@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)N(C)CC(=O)NC1CC1 734199271 DUOLQRTYBOEHHM-INIZCTEOSA-N 435.480 2.420 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)cc1 744007540 LPOWYZKTUVYIQB-INIZCTEOSA-N 441.538 2.426 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc(Br)cn2)nn1 750421236 JFSOMDZPUKQWLY-DIFFPNOSSA-N 435.282 2.025 30 10 IEEE COc1ccc(-c2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)n[nH]2)cc1OC 751823013 JZSZAYGCVVNLEE-UHFFFAOYSA-N 426.454 2.225 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnc([C@H]3CCCO3)s2)c(=O)n1C1CC1 755662098 UVUUQTOKSPGFKP-MRXNPFEDSA-N 427.551 2.425 30 10 IEEE C#CC[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccccc1 757257898 FQNCKYGNVBJLQS-PZJWPPBQSA-N 440.521 2.459 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 757434160 CZVGVYSSOWSFDP-GOSISDBHSA-N 440.507 2.482 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 758228473 ZVMGOLUWQKMUHJ-YUMLTWSLSA-N 434.537 2.493 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(F)cc3F)c2=O)c1 763436318 HIDFPGLZCLLLGM-UHFFFAOYSA-N 425.460 2.388 30 10 IEEE CCCn1c(=C(C#N)C#N)sc(=Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)c1=O 766387860 NXINAROLDUMSBR-UHFFFAOYSA-N 433.537 2.217 30 10 IEEE C#CCCN1CCC(NC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 767568828 QNOTVQKNHLEGEG-UHFFFAOYSA-N 427.364 2.379 30 10 IEEE COC(=O)C1=C(C(C)=O)[C@H](c2c(Br)cnn2C)NC(=O)N1Cc1ccccc1 783642833 SCJTYFATTDNTJP-OAHLLOKOSA-N 447.289 2.465 30 10 IEEE C#CCN(CC#N)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 798799888 AHXFWUJOTNDONC-UHFFFAOYSA-N 441.509 2.275 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 804190287 TWFYZHMWUIGMJV-UZLBHIALSA-N 429.583 2.215 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)CC1 804349184 KBVWJGNXNHDCSU-UHFFFAOYSA-N 449.580 2.123 30 10 IEEE C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Br)cc1F 806780431 ABAXXUJFYHOXRN-ZAUPALIDSA-N 425.258 2.475 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1ccnc(C(F)(F)F)c1 808527759 NMISGQRCLMYHTB-NSHDSACASA-N 441.387 2.065 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](CC)OC)c1 809944454 WTSFUMHIARXKCI-RBUKOAKNSA-N 430.574 2.092 30 10 IEEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 812192292 SWTGWONWJLCQDH-XDXAGZTOSA-N 427.505 2.434 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 815475198 BKHWFXNFOPZGNA-UHFFFAOYSA-N 427.360 2.383 30 10 IEEE C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775013 HGHOHFZLPPXZGA-CYBMUJFWSA-N 435.502 2.404 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 927569125 CWHDDFIMJIKCPX-PSCUFVCCSA-N 445.541 2.074 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c(C)c1 1084540950 VSTMWBSBPIQOOZ-UHFFFAOYSA-N 442.549 2.404 30 10 IEEE CN(c1ccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 1125862728 LKQNHJGETFESOR-QGZVFWFLSA-N 438.550 2.286 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 1136000920 HGDOIHDEHWOAPZ-IBGZPJMESA-N 425.533 2.285 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1140896193 OMPMTSJOQCCWJW-JOCHJYFZSA-N 433.379 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CC[C@H](O)[C@H](O)CC1 1155983341 CSNBTLSKFHLMOJ-RSPOEFSDSA-N 429.517 2.173 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3C[C@H](N4CCOCC4)C3(C)C)C2)C1 1164314471 SYRAOTFIBVGXFG-RVQLJQJMSA-N 446.592 2.389 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)CCNC2=O 1166336049 GLJRFODTKXTYFH-GOSISDBHSA-N 440.525 2.064 30 10 IEEE C=C[C@](C)(CCOC)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1167325251 OAAQRPREPRXLAI-JOCHJYFZSA-N 438.569 2.032 30 10 IEEE C#C[C@](C)(CC)NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1170451071 HCFCRDJWDMLOPD-DGJFXRHUSA-N 445.566 2.124 30 10 IEEE C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175428678 RQLONQMVHMKQFF-FSNCLGKMSA-N 437.537 2.256 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CCS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1179869841 RHRHVDQVOTVPLK-UHFFFAOYSA-N 447.538 2.112 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n[nH]2)c1 1184469840 BVMHMFBUZWZMKT-KRWDZBQOSA-N 436.497 2.383 30 10 IEEE CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(Br)c(C#N)c1 1209012152 FYUYOBXCBVTNFR-INIZCTEOSA-N 443.411 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1ccco1 1286404495 RIHQLISUWLJXRO-UHFFFAOYSA-N 433.468 2.058 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1286437329 DUNGUINBKJUXAY-BTYIYWSLSA-N 448.614 2.141 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)CC 1286463263 CRIWNGOZFWEPJX-UHFFFAOYSA-N 427.530 2.014 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCOC[C@H]2OC)CC1 1286475745 HQERVJLMHVIRJZ-YLJYHZDGSA-N 429.952 2.405 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1286495947 JHLVJLQNHYTYFX-NSHDSACASA-N 438.406 2.154 30 10 IEEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286582946 FFJITJJYCNKJNE-QFIPXVFZSA-N 432.590 2.405 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286788977 LULHIIOUKBGZBE-QGZVFWFLSA-N 437.523 2.113 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCC[C@H]2C)C1 1286797919 DYXHFFAUFDZPFO-DRSNIGMVSA-N 426.521 2.258 30 10 IEEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286952872 CYXXHKFHIFNVCG-UHFFFAOYSA-N 444.543 2.060 30 10 IEEE CC(C)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287206099 IKYYRIOFFTXSNR-QQMHEVNUSA-N 438.536 2.045 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1288516787 DKYPFYBCUOPJCL-MRXNPFEDSA-N 438.536 2.277 30 10 IEEE CCc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1292541107 HZOOEGNERAIMED-FOIQADDNSA-N 434.541 2.135 30 10 IEEE CCCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1294308571 RXHNQKNEZZXZPK-SXLOBPIMSA-N 443.552 2.084 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1300372306 PBVHENJSAPGEMP-UHFFFAOYSA-N 425.512 2.065 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300417349 SRYYPNVPPDVACA-UHFFFAOYSA-N 437.592 2.058 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)noc1C 1300465587 PBTNWHKEVCIQKY-QGZVFWFLSA-N 430.509 2.309 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1300603324 ZGQDOAZMFGZULO-CYBMUJFWSA-N 429.468 2.415 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ncccc1N(C)C 1300664900 GKYDADRURCLLEX-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1300772488 LFKANXDTITXUHK-KNQAVFIVSA-N 427.505 2.149 30 10 IEEE C#Cc1cncc(C(=O)N(CC)[C@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1300909976 BNQGXFMQIAPWTF-QGZVFWFLSA-N 428.533 2.383 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)[C@@H]1CC 1300984233 ZCWUNWGOEIYGJA-FQEVSTJZSA-N 435.532 2.438 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)OC)C1 1301544217 UNAPIWPEWNCEFN-DOTOQJQBSA-N 448.593 2.363 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1301981566 MBWKJYZYAUALPF-YQVWRLOYSA-N 425.537 2.394 30 10 IEEE COCCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1302162333 JMJRGPZVSCQINH-GCJKJVERSA-N 445.520 2.073 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCOCC(F)F)cc1 1302989868 VQDHGAFFJGYRET-OAQYLSRUSA-N 430.459 2.205 30 10 IEEE Cc1nc(=NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)n(-c2ccc(C#N)cc2)[nH]1 1306606202 BOHFATNLUJYNOQ-UHFFFAOYSA-N 428.452 2.356 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)C[C@@H]1C 1315132249 ZYUGEAKVAJSEQD-HOTGVXAUSA-N 428.493 2.041 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1315872233 GQYQMQWRRDZAHC-LJQANCHMSA-N 435.488 2.104 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1COCCO1 1316099444 BQPOBAOSEVDQOI-SFHVURJKSA-N 437.504 2.117 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1358903830 LELDPXKPIOMSPR-UHFFFAOYSA-N 442.486 2.115 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1358958138 IIWJKVHHCQXOAM-KRWDZBQOSA-N 429.477 2.056 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2CCN(C(C)=O)CC2)CC1 1359036836 KRCJPWVQXIHQJJ-UHFFFAOYSA-N 438.551 2.022 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1359083235 FMOPNMUNAIDTKK-NSHDSACASA-N 432.369 2.182 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CC(N)=O)C1 1359129507 DKIZMVWZVYRQKF-QGZVFWFLSA-N 441.532 2.401 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)COC)CC1 1359191160 PULUVLFDFFSXKG-UHFFFAOYSA-N 443.596 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359296101 WZRQAGBIOGOSGP-SZNDQCEHSA-N 449.914 2.424 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2ccc(C)o2)nnc1[C@]1(OCC)CCOC1 1359305893 PZSKDJLGEGTWGK-JTSKRJEESA-N 429.521 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)C1 1359322300 SQSCKPUBRXJZNH-QUCCMNQESA-N 446.573 2.431 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@H](C)COC 1437608765 XMPZUILTRRPVQW-HZPDHXFCSA-N 425.507 2.045 30 10 IEEE C#CCOCCN(C)C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1457380748 AXNFUMJEHQAHKI-UHFFFAOYSA-N 432.454 2.393 30 10 IEEE C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1459548455 UONKETRBQQTZQO-WMLDXEAASA-N 426.298 2.410 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 1466679835 IEBFQNDCICZHDP-IEBWSBKVSA-N 447.557 2.428 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 1470296622 ITBAEKGUYGUIJS-KXBFYZLASA-N 435.509 2.214 30 10 IEEE CSc1ccc(CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1C#N 1471337640 PYWLCLOLCDGCAU-UHFFFAOYSA-N 429.590 2.366 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1501803300 HTRPBQDMFOYTEO-SFHVURJKSA-N 441.628 2.447 30 10 IEEE CN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1503433013 RTOYDCTVFAHLNP-JVMRMLDLSA-N 430.578 2.479 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc2cc(OC)ccc2n1C 1507515232 WCNOKLHTDRWUPY-OAHLLOKOSA-N 444.499 2.327 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCc1nnc2n1CCCCC2 1507515976 YHFZHHCULUDVKY-INIZCTEOSA-N 426.569 2.215 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC(O)CC1 1507527858 JWKCHDNACHUNFN-SFHVURJKSA-N 433.560 2.142 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507588954 SMXOIYFWFUHAGL-SJORKVTESA-N 446.577 2.484 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635566 SZIMNJYAOUMZEC-PXNSSMCTSA-N 433.622 2.120 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCn2nc(C)nc2C1 1507756157 HFDPXXMOOSGAKA-UHFFFAOYSA-N 427.509 2.283 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507830963 RENFFGQAGXPNJO-HXUWFJFHSA-N 444.530 2.466 30 10 IEEE C=C(C)Cn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1[C@@]1(OCC)CCOC1 1507835110 LHCHBDRQZQJHDW-HXUWFJFHSA-N 431.497 2.453 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)Cc2cccc(F)c2)CC1 1507888199 XFSCQKFPQMNXDB-UHFFFAOYSA-N 440.523 2.055 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507966243 NQLHBAQAMBDYAU-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1507980030 AJEGJFPELSVYDH-QGZVFWFLSA-N 436.564 2.242 30 10 IEEE Cc1nnc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)s1 1511751269 WBZXFKPUEHMCET-CYBMUJFWSA-N 431.472 2.279 30 10 IEEE CCN1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1515869620 GDVXKMFDLNSQRU-MOPGFXCFSA-N 434.610 2.185 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1516765211 MEUKNQDAHJSEMJ-SFTDATJTSA-N 441.532 2.254 30 10 IEEE COc1cccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1518350496 IRQXBKNHHNSECF-HSALFYBXSA-N 426.521 2.170 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOc1ccc(F)cc1 1519448302 GTBLNDZOACEXOJ-DBVUQKKJSA-N 445.495 2.339 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CCCN1C(=O)OC(C)(C)C 1519915694 HHQZAVNJXWYXLY-AUUYWEPGSA-N 431.455 2.449 30 10 IEEE N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1525707805 DRTORIJMHRLICH-QAPCUYQASA-N 425.407 2.012 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1=O 1527726627 FUWPQSUJUONQGG-OAHLLOKOSA-N 429.864 2.247 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2OC(C)C)ccc1F 1529250351 OPSLHZOHSCNGCA-UHFFFAOYSA-N 435.477 2.428 30 10 IEEE CCCOc1nc2ccccc2cc1/C=C/C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537006116 QLIJCQFVTGEZRP-HMRDUNCJSA-N 425.510 2.434 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1538978001 ZJXSNWVUCRCNJM-WZONZLPQSA-N 431.581 2.425 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539124675 HEVBHNRLHYMZLI-QFBILLFUSA-N 430.530 2.217 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1539383844 MFIQKARDEYUBRW-IXDOHACOSA-N 444.580 2.423 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539924053 MFZUJMUVVKQPAL-GOSISDBHSA-N 432.594 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 1542531564 BFHYMHYSRQRKBA-QKNQBKEWSA-N 440.544 2.372 30 10 IEEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C(F)(F)F 1554624921 UPCCRDNNBHLVBQ-HUUCEWRRSA-N 449.499 2.278 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(F)c1 1555663781 NKPBLIGQCKFETG-OXJNMPFZSA-N 428.512 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H]1[C@@H]1CCCO1 1557941725 VVESQSGEXLXXDB-NBYUQASBSA-N 432.565 2.380 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C(=O)/C=C/c3ccc(F)cc3)C2)nn1 1558101829 BBYMQSHWQXYFLS-RMKNXTFCSA-N 429.452 2.108 30 10 IEEE C=CC1(CC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1565683535 GRLGVZMCDLMFKH-UHFFFAOYSA-N 429.583 2.072 30 10 IEEE COc1cc2nc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c(=O)n(C)c2cc1OC 1567193775 BCJUHJJHAUQLKW-FQEVSTJZSA-N 434.452 2.036 30 10 IEEE COc1cc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)ccc1C#N 1583797948 CEHAUEAVZHJXGX-KRWDZBQOSA-N 430.505 2.060 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1cccc(C)c1 1588180390 DPQQYSAOXQPOQL-RTBURBONSA-N 427.574 2.463 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)C#C 1589006368 DSLSVKSOKHEELT-INIZCTEOSA-N 431.587 2.020 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589544493 HYBDJWVACIWBDV-WMZOPIPTSA-N 444.580 2.369 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(OCC(N)=O)CC1 1589558558 LYKVEXWVOIWIRI-DYESRHJHSA-N 445.589 2.382 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1589664060 TWQJLXCXGDNPRA-LJQANCHMSA-N 445.589 2.185 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cnn(C)n2)C1 1595737984 KAGQLSHNLWRPJS-GOSISDBHSA-N 428.566 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1595788959 LWIUGKXWLOMXEL-NEWSRXKRSA-N 443.573 2.212 30 10 IEEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1596714427 RIHCOVHXTCYBNK-UHFFFAOYSA-N 434.504 2.250 30 10 IEEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCS1 1603092004 VQUBQLGKPOHQRG-GOSISDBHSA-N 448.618 2.334 30 10 IEEE CCN(CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1615620638 SCQQYTMHSOWDML-CQSZACIVSA-N 439.973 2.261 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCCCC2)CCOC1 1616264242 WLFLBPVQFKLJIX-KNQAVFIVSA-N 433.553 2.398 30 10 IEEE Cn1cc(CN2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CC2)cn1 1618411939 BBFJRDNLNDANNQ-UHFFFAOYSA-N 448.575 2.424 30 10 IEEE COC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1618910005 JWLWDADHWMFMOK-SFHVURJKSA-N 425.493 2.455 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCSC 1619995564 SGXXPZMPRKNXCE-AWEZNQCLSA-N 432.550 2.290 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccncc2)nnc1N1CCC(F)(F)CC1 1620385148 NVOYHRNPDIRUEH-HNENSFHCSA-N 443.458 2.026 30 10 IEEE C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1624578731 XCYWUXZFLVNIOA-JXFKEZNVSA-N 428.533 2.229 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ncnc(O)c2Br)C1=O 1626598051 OZHAAGNOZUBCQX-MRXNPFEDSA-N 428.287 2.261 30 10 IEEE N#C[C@]12CN(C(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)C[C@H]1CS(=O)(=O)C2 1627136338 GDEWJJBETNLSHK-APPDUMDISA-N 425.297 2.189 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(C4CCN(C)CC4)CC3)n[nH]2)c1C 1627270206 NGFSBECGXFIUOT-UHFFFAOYSA-N 425.581 2.364 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1627445016 NJXHFWMHSJVHHE-HNNXBMFYSA-N 438.912 2.108 30 10 IEEE CO[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@](C)(C(=O)N[C@H](C#N)CO)C1 1627548217 ANXAQSAJHJMTKA-LEHBWIKQSA-N 449.507 2.416 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc([S@@](C)(=O)=NC)c2)s1 1635477059 QRUAOCNHNGFWDH-AREMUKBSSA-N 427.573 2.480 30 10 IEEE C#Cc1ccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 1643334764 FOABMAATYNATCV-QRVBRYPASA-N 425.485 2.323 30 10 IEEE C=C1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1645279765 CGEPIQWCTCDNQM-HXUWFJFHSA-N 440.481 2.364 30 10 IEEE COc1cc2c(cc1OC)C1(CCC1)N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)CC2 1645580377 PANHOQISYVEQFY-DQRAZIAOSA-N 425.485 2.384 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)c1 1659061043 CJDRSXZGDCBZTB-UHFFFAOYSA-N 427.464 2.258 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1 1659720099 OHCBLXHFMZRKPO-CVDCTZTESA-N 434.569 2.409 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)C1 1665457365 OVZLHTKMMPAWIG-SFTDATJTSA-N 433.574 2.195 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)N3CC(Oc4ccc(C#N)cc4)C3)O2)C1 1683990452 WBAJKRMXINXMPG-GOSISDBHSA-N 442.516 2.499 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1685646320 QFZGAFPQGZIUHH-UHFFFAOYSA-N 442.541 2.391 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)C1CCOCC1 1687127019 ZVGUPEYSRDCHRA-OAQYLSRUSA-N 447.601 2.428 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCNS(=O)(=O)c1ccc(C)s1 1690051309 VPENQKBLZLSRNW-UHFFFAOYSA-N 431.587 2.042 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1690077207 KTLHMLCLCLMTBH-SJORKVTESA-N 432.546 2.116 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1690114652 BXVGIZADVAQIAS-UUOWRZLLSA-N 439.560 2.269 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCn1cccn1 1690159789 MQZRRVYOQSHQLH-UHFFFAOYSA-N 444.586 2.048 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690486620 OCTQBKWUQCETJB-IBGZPJMESA-N 430.578 2.234 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1691264214 QYQISOVYQVUJRD-INIZCTEOSA-N 431.541 2.274 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1691573204 YZGNGJJTQGYXBW-GCJKJVERSA-N 425.537 2.130 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cs1 1693355110 NMUFJEIIXPGXEW-BEFAXECRSA-N 434.591 2.199 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1F 1694352677 DQQZZHBLZZIULT-QGZVFWFLSA-N 430.484 2.121 30 10 IEEE CCc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694751435 HAVDAMLPYAKCMB-OQLSDQBISA-N 440.479 2.084 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1695591451 WMVQKHKQJXOCOU-OAHLLOKOSA-N 429.525 2.393 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)C[C@@H]1C 1695804754 FXVVCFHWJWKPNT-OALUTQOASA-N 425.581 2.314 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1696753027 IBMIVZJIICBQOU-HXUWFJFHSA-N 441.532 2.276 30 10 IEEE COc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1697491188 BIISLCFYTIURFK-DYESRHJHSA-N 428.468 2.149 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1705494826 GNHVUHNBXYXHPE-CGTJXYLNSA-N 433.553 2.469 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1705524873 UKBKUNXFTWUDBV-GOSISDBHSA-N 442.539 2.229 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705609067 OTNHCUZVYYDTGG-UHFFFAOYSA-N 430.560 2.385 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705897099 GFPJNOSYPSNRSV-XUVXKRRUSA-N 436.560 2.179 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705899310 OPUGNNIMOIFQFC-INIZCTEOSA-N 428.512 2.129 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCCn1cnnn1 1706070066 GMRQPXLUYXGDOK-LLVKDONJSA-N 436.343 2.442 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCCOC(F)(F)F 1708153256 NMJPBHLOVHQPNM-CYBMUJFWSA-N 436.442 2.459 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCn1ccnc1C 1708531215 ABEATZVWNTZXID-SJORKVTESA-N 434.552 2.374 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC12CCOCC2 1722346812 XJDUZTZNIIUSEL-SFHVURJKSA-N 443.573 2.082 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1722372462 WZNQTWPPNZBSHX-WMLDXEAASA-N 449.602 2.070 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(Br)n1 1722373489 IVUVWVFWNBISOW-HXUWFJFHSA-N 444.333 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCOC1 1722392568 IHPFLLZUFRGWNI-FQEVSTJZSA-N 447.308 2.461 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1722493590 IXQZPDOVIQNNQP-LSDHHAIUSA-N 445.486 2.291 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1 1727477026 IWZVNGPAKUHGMP-VFNWGFHPSA-N 433.532 2.351 30 10 IEEE CO[C@H](CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1729855871 PKTLITRMHIIZJJ-DOTOQJQBSA-N 437.470 2.428 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(C)(=O)=O 1730323674 BIDFFWIJAUKTCU-HXUWFJFHSA-N 433.534 2.040 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1730499218 ZOSLWLYDVXBJHV-MRXNPFEDSA-N 438.454 2.100 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1730919078 NBZMSUCWCKEAKK-LEWJYISDSA-N 441.532 2.254 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCCCO)c1 1731182281 XHFJHEAVXGKYFT-HXUWFJFHSA-N 437.573 2.109 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1740609000 GFSICDSTKCMOML-AEFFLSMTSA-N 446.573 2.146 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740618779 BZZGWNHHFUHCJF-LJQANCHMSA-N 444.557 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1Cc1ccccc1 1740642748 ZUVCTQARNNBVAR-QFIPXVFZSA-N 430.556 2.138 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCN(C)CCCOC)CC1 1740694130 ZJFMVGRQZCAXBF-UHFFFAOYSA-N 447.587 2.217 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740699137 VVSLBYMJGUHGQU-OAQYLSRUSA-N 434.588 2.123 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740730156 TVDTUMHAIDPZRG-XCGNWRKASA-N 430.553 2.382 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740807249 UOQSUTZYRGHNGT-UHFFFAOYSA-N 425.880 2.090 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C1 1740979146 BSARPTGUXPFLSE-IBGZPJMESA-N 441.580 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740992069 MFBHTXCAOAGGGK-FVJLSDCUSA-N 440.610 2.240 30 10 IEEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cs1 1744488000 GCEZDAWIWFSXDQ-ZDUSSCGKSA-N 437.595 2.086 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)C1 1746540354 ASSGDLSYEMFPQL-GOSISDBHSA-N 432.550 2.042 30 10 IEEE COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1748894001 BXOCLVGUUYEWST-LEWJYISDSA-N 433.516 2.380 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1748913079 PESCLNYTZCAXIW-YKGWIAGDSA-N 430.574 2.317 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2CC)CC1 1748971527 UHHPDJMVVZOXRK-JOCHJYFZSA-N 449.603 2.387 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CC(=O)N1CCN(c2ccccc2)CC1 1749079159 ZQOKMWAKEVWRGF-XMMPIXPASA-N 436.560 2.156 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749096095 GJUDDCSPKQWOTN-ZDUSSCGKSA-N 426.340 2.180 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749222584 JZQCUUOABAQGMY-HXUWFJFHSA-N 440.548 2.069 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1749740186 AIHWDVMVUJPOOL-OAHLLOKOSA-N 449.581 2.420 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749754684 QAIOQPDZUJDHGH-XLIONFOSSA-N 432.638 2.454 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@@H]2CCCO2)CCO1 1750388853 TYSXFLSTNXZRII-IRXDYDNUSA-N 447.486 2.462 30 10 IEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1750803938 CPUVSUQGAHOGPV-QUCCMNQESA-N 438.532 2.377 30 10 IEEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(N3CCOCC3)CCSC2)n1 1751601789 HNIAYUHJPAGJDC-HTAPYJJXSA-N 441.605 2.452 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2cnn(C)c2C)c1 1760124891 DBLVEYFOMGYFPI-UHFFFAOYSA-N 442.527 2.430 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760162356 RIBDJVKYTHUKKS-GOSISDBHSA-N 425.537 2.367 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](F)C2)CC1 1760265491 CIIMDYWPXSKMNL-FHJLPGHOSA-N 447.555 2.034 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1760270221 UTZPAQURJMTOMJ-NJYVYQBISA-N 443.592 2.199 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNC(C)=O)CC1 1760389821 VCVZINZERBTBET-GOSISDBHSA-N 448.568 2.269 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760514421 FIMVWHWEYDGCDO-IRXDYDNUSA-N 426.521 2.063 30 10 IEEE CC(C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760821206 IEPJNEYNLMDXBK-UHFFFAOYSA-N 438.463 2.302 30 10 IEEE CC(C)N(CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1761180697 IDRWWLGCYHNOTC-KRWDZBQOSA-N 439.564 2.436 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1761360854 VLGHSIDHIVLUBD-OAHLLOKOSA-N 427.509 2.147 30 10 IEEE CCc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)cc1 1762584964 PRFJVFRFILEFMI-UHFFFAOYSA-N 431.500 2.131 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1765464073 NREJRZWBFZGFJZ-QHCPKHFHSA-N 438.532 2.091 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1766583066 FAIBJGIWQMTVCZ-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C1 1770110688 LKOVJZSSQLHBJX-HXUWFJFHSA-N 440.548 2.363 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCCOC4)n3CCOCCCO)CCO2)c1 1770736118 UDCGHCDCINXPPO-NHCUHLMSSA-N 441.532 2.021 30 10 IEEE N#C[C@@H](COC(=O)C1CN(S(=O)(=O)C2CC2)C1)Cc1ccc(Br)cc1 1850450995 PDBUFEDEPVLHPQ-ZDUSSCGKSA-N 427.320 2.099 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c(C)c1 1852373943 PPLOSVGHPRWDKW-INIZCTEOSA-N 439.541 2.484 30 10 IEEE Cn1nc(-c2cccnc2)cc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852766036 WPGOUXBRAODIGU-NRFANRHFSA-N 447.495 2.290 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)c1 1853391357 WZRLWQPVXITQKF-HXUWFJFHSA-N 447.499 2.368 30 10 IEEE C=CCC1(S(=O)(=O)N(Cc2ccc(F)nc2)[C@@H]2CCc3nn(C)c(=O)cc3C2)CC1 1853499091 UQANKIJSRNFJQJ-QGZVFWFLSA-N 432.521 2.112 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854646501 YCYMBGDGPWWTEM-CYBMUJFWSA-N 447.900 2.282 30 10 IEEE C[C@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CCN1Cc1ccc(C#N)s1 1857510079 ZICGITSNKOZJCW-JKSUJKDBSA-N 428.558 2.360 30 10 IEEE C=CCNC(=O)[C@H](CCCC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861608839 LKLKTVBJZUMZQP-MJGOQNOKSA-N 429.517 2.193 30 10 IEEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1c(F)cc(F)cc1F 1862467027 GJMCUWYOVQFWPN-MRXNPFEDSA-N 438.314 2.288 30 10 IEEE Cc1ccccc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866867706 QUCCYLASQJTJGM-RBUKOAKNSA-N 426.542 2.449 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1 1867176286 OGQNHGZRTZHGCX-IBGZPJMESA-N 430.468 2.085 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(=O)OCC)cn1CCCN1CCOCC1 1870452452 LFLICQZVGKXTRT-UHFFFAOYSA-N 447.576 2.077 30 10 IEEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccccc1C(=O)OCC 1872637177 GFEABBQXNVULLK-UHFFFAOYSA-N 428.445 2.007 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1C(=O)O 1874500999 KLZHQTKBWYBYLI-UFWORHAWSA-N 432.487 2.192 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 1902435473 LFQFRBGSZRGXOG-UHOSZYNNSA-N 436.574 2.393 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@H]1CCCC2(CN(C(=O)OC(C)(C)C)C2)O1 2054341397 OBLJREVSKDJACZ-CYBMUJFWSA-N 439.372 2.373 30 10 IEEE C=CCC1(NS(=O)(=O)c2cc(Br)nn2C)CN(C(=O)OC(C)(C)C)C1 2054341602 RATVCJDASXCORT-UHFFFAOYSA-N 435.344 2.027 30 10 IEEE COC(=O)[C@H](CC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 2060640873 ZSDYTUSSPYMBSG-HNNXBMFYSA-N 438.330 2.233 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)[C@@H]2C1 2060790327 OIDLTGZQGGJFEH-TUFLPTIASA-N 440.544 2.105 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](Nc3ncccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2224133578 XVFDJSHSRUUAHP-UAGQMJEPSA-N 431.342 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2232300071 POKGSTKFKHVKRP-CVEARBPZSA-N 447.341 2.328 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390258 RMZOAKVFXUPZDI-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C=C(CS(=O)(=O)N(CC)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243417452 PARQYZPVKVAKCT-UHFFFAOYSA-N 430.376 2.445 30 10 IEEE Cc1nc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2243678362 IOEHDKQGZRZZMC-OAHLLOKOSA-N 440.309 2.338 30 10 IEEE C=CCCC1(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2247410510 FMGBUQCQERVTLD-UHFFFAOYSA-N 439.553 2.288 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)C1 2247563631 BSMFXOKDEQCUQJ-RKRRMPDFSA-N 427.545 2.310 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(C)C 2248406016 YHAFVZVFTFJXBB-UHFFFAOYSA-N 440.375 2.233 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCCN(Cc2ccccc2)C1 2249684094 DDEFUXCVYOLCFW-RDPSFJRHSA-N 429.561 2.389 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255611733 WRWJYMGVHBTQBM-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256617799 LVGRSXMSTPEWDT-QGZVFWFLSA-N 435.374 2.328 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256912882 ZVJHUJXWWMLYOP-XJKSGUPXSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258958543 HXLIMDZPPGOLOQ-JOCHJYFZSA-N 436.358 2.280 30 10 IEEE Cc1c(C(=O)NCC2(N(C)C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999639 NYWAYFRZSTVNHZ-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267003310 NAHZZMHWWLCBKX-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009976 PXYDKGCXKWDAAY-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267098474 ZLRKNEWESGJOKH-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139208 CSPCWUUCUGYGCG-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188575 OCDKVDOKPPPUFC-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267521405 RRCMCVIHXWUINT-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523189 YBHZWHJNLBPACU-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274222327 NLDONXGTDMHMGA-HNNXBMFYSA-N 448.373 2.426 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2282183701 JNYSISAPZLTSQZ-UXHICEINSA-N 448.376 2.370 30 10 IEEE CS[C@H]1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282319646 XCGRSPCDVKJCLP-MNOVXSKESA-N 439.817 2.109 30 10 IEEE Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282831880 FXNIWPWAZFWYAY-CQSZACIVSA-N 443.396 2.272 30 10 IEEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)c1 2297741183 XQYXANHVZBFSPN-NRFANRHFSA-N 437.496 2.234 30 10 IEEE COc1nc(OCC2(NC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2317548726 DZKJPJUMPRESIN-UHFFFAOYSA-N 436.314 2.062 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(Nc1ccc(C#N)c(Br)c1)C(=O)O 2350877301 IFPZKDGAIYGZLI-GUYCJALGSA-N 426.267 2.480 30 10 IEEE C=CCn1ncc(N[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c(Br)c1=O 2359248101 IWOSGXHHUWJVOW-BVRBVLIYSA-N 441.326 2.428 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2cccc(F)c2)n1N)c1ccc2c(c1)OCO2 21318142 AOUOOJJQRYRBOQ-FOKLQQMPSA-N 443.464 2.427 30 10 IEEE COc1ccccc1/C=N/Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 59018860 GGEOZQXTRVHVEB-LSHDLFTRSA-N 440.485 2.397 30 10 IEEE N#Cc1cccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3cc(Cl)ccc32)c1 65183401 IAFROPAKPVIMTK-UHFFFAOYSA-N 444.900 2.178 30 10 IEEE C=CCc1cc(CNS(=O)(=O)c2ccccc2S(C)(=O)=O)cc(OC)c1OC 65269427 WTPDEUQNSJBHLL-UHFFFAOYSA-N 425.528 2.314 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1 103107134 ZZQDMYOSCYDGJN-LCPUNJGISA-N 426.469 2.432 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 110269150 SYQPAMRVLLZTSO-WIYYLYMNSA-N 429.517 2.222 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1 169751945 NAAWEBCITUZPSK-FQEVSTJZSA-N 431.558 2.424 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 254758445 IAKXZFLSAKKFCH-QFBILLFUSA-N 444.534 2.302 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)c(OC)c1OC 254833828 MUZIRGJCQBJVGS-UHFFFAOYSA-N 433.489 2.260 30 10 IEEE C[C@H](C#N)CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C)C1CC1 444662934 JRGVFSPOVJIPHG-QGZVFWFLSA-N 447.605 2.490 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CCOC)C(=O)C1 460804943 KIMSHIMMKBHVMB-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cn1 462085922 CRLSBTIRNLBNKM-YZGWKJHDSA-N 427.468 2.417 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCc2ccccc2F)CC1 475374557 ZQWZYCGOIZNHGE-UHFFFAOYSA-N 430.505 2.346 30 10 IEEE N#Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCc5ccccc54)CC3)C2=O)cc1 477098023 JDJPQWVTJWJUGL-QFIPXVFZSA-N 428.492 2.491 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccncc2)c1=O 478753078 ITHSTZKFLWPDQL-GOSISDBHSA-N 431.517 2.101 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(F)cc(Br)c1 480573635 GUGWOIFDZCULNB-NSHDSACASA-N 440.294 2.443 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccccc1C 481973047 OQLNAUHJUROPLE-UHFFFAOYSA-N 434.546 2.170 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)cc1 497932761 CBUVNUAQOHWNBR-RZUBCFFCSA-N 441.601 2.318 30 10 IEEE N#C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CC1 505921869 CDFJXPHNCCDGKC-CZUORRHYSA-N 426.336 2.268 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 508845980 PULNSKIOOBOSKK-UHFFFAOYSA-N 442.527 2.421 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 512722560 HLKYPHNNWVYXIA-UHFFFAOYSA-N 448.567 2.138 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 523306254 XRNPWTRUKZUFDD-UHFFFAOYSA-N 438.549 2.144 30 10 IEEE Cc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 526883830 AAZXZIMRWFAORS-HKTWGTONSA-N 437.572 2.230 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccon1 532448213 JJDNBYNBLFICTP-UHFFFAOYSA-N 427.432 2.097 30 10 IEEE COC[C@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 539315728 ZRBWUEZGOOHGOD-IBGZPJMESA-N 435.484 2.432 30 10 IEEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccccc3Oc3ncccc3C#N)CC2)n1 544756533 VQNZPLLMEDQNMX-UHFFFAOYSA-N 443.467 2.131 30 10 IEEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 549263817 OTZMHIYGIAKWTC-UHFFFAOYSA-N 440.596 2.396 30 10 IEEE C=CC[C@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 559239625 KTAIQLPBDCYONH-FPOVZHCZSA-N 435.572 2.309 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1 562108314 FPTQVTSKFSDGKJ-UHFFFAOYSA-N 430.415 2.050 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)cn2)CC1 578645809 BLGZHUVRYNKLCJ-UHFFFAOYSA-N 433.560 2.385 30 10 IEEE N#CCCCOc1cccnc1NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 608883504 FUHPALFHLOAOFX-HXUWFJFHSA-N 433.468 2.178 30 10 IEEE COC(=O)c1ccc(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)nc1C1CC1 611543945 STBDQOYKFOFKHB-UHFFFAOYSA-N 434.500 2.480 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CC[C@H](C)[C@@H](F)C1 669804801 FQXXOURIEZIJAB-LPHOPBHVSA-N 449.552 2.336 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(Cc3ccccc3C)C2)cc1 682136933 HPBDCDLVMCPHFE-UHFFFAOYSA-N 441.553 2.441 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1-c1ccccc1C#N 728557441 KMFBCHCSRNODIJ-UHFFFAOYSA-N 438.447 2.122 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn3ccccc23)c1=O 729671696 VRVOQGCSZTYGSU-UHFFFAOYSA-N 442.500 2.138 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1=O 733254160 UBFZPYQRBYRGAU-INIZCTEOSA-N 441.285 2.327 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1C1CC1 746403654 TWSUMNXBWMJUSP-QGZVFWFLSA-N 432.406 2.028 30 10 IEEE CSCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn3ccccc23)c1=O 751832128 OQHHVLBUKDZQFZ-UHFFFAOYSA-N 426.567 2.039 30 10 IEEE C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 754404775 YSBUNNOUPDQPEO-OZZWHHLJSA-N 431.514 2.398 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)ncn1 756867008 DCAPGMFQTFOQBZ-LJQANCHMSA-N 440.573 2.293 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H]2CC23CCCC3)C1=O 757914823 IDIVQFBYZJHUGN-KQDLCYBISA-N 443.617 2.325 30 10 IEEE COc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758749768 CAKPNKZDCCDXKQ-DOTOQJQBSA-N 447.511 2.425 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1cnc2ccc(F)cc2c1 764272797 NHAUDXBTKPMSGQ-UHFFFAOYSA-N 428.445 2.401 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1-c1ccccc1C#N 767957838 GIIPTAIGIYTXBK-UHFFFAOYSA-N 432.505 2.010 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 771633124 YGFRJWSQFMBQDR-CQSZACIVSA-N 445.339 2.004 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)c2C1 782418516 PPSDIMOYHIQUAC-UHFFFAOYSA-N 439.472 2.048 30 10 IEEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F 788202937 KNMNNULNMRMHAL-IBGZPJMESA-N 438.446 2.357 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2sc(C)cc2Br)n1 788694797 VUSIMIPUAMVZED-UHFFFAOYSA-N 432.365 2.486 30 10 IEEE O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cccnc2F)C1=O)NC1CC1 794441225 NRIGZLSDFQFOMO-PVCXERSVSA-N 427.505 2.327 30 10 IEEE N#CC1CCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 799388240 UEQBTXMHPHXHDV-UHFFFAOYSA-N 425.938 2.421 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccn(Cc2ccccc2)n1 803665933 TVTWWBFVWAGWOM-UHFFFAOYSA-N 437.525 2.067 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N 804089957 NXTBXJGFWZAUFJ-IRXDYDNUSA-N 430.505 2.135 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)nc1 810692926 SLHQCARULKBCQV-YAIJSEKYSA-N 438.487 2.049 30 10 IEEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)C1 1116538833 CDURZUYYYZGGHK-GSHUGGBRSA-N 436.553 2.226 30 10 IEEE COc1ccc(C(=O)Nc2ccc(C#N)cc2C(C)=O)cc1S(=O)(=O)N1CCOCC1 1129068069 FZQWJPLTNWPJMU-UHFFFAOYSA-N 443.481 2.043 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1136671695 PEYYYADPGTVSIS-IGGDJGDASA-N 434.537 2.493 30 10 IEEE CCOC(=O)[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1CCOCC1 1137919216 DSDVGXLXGJGSCH-VQFNIZELSA-N 449.548 2.248 30 10 IEEE C=CC1(CC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1142041177 LBHNNNJMUQIEGI-IBGZPJMESA-N 446.470 2.490 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1 1154157551 DEYWFALVSDNMHG-WTCZBGTRSA-N 430.958 2.088 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1 1170344766 AGXRDMCKXSLEMX-WBVHZDCISA-N 435.546 2.116 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)ccc1Br 1210085528 HZWQHXMGCJPYEX-OAHLLOKOSA-N 449.286 2.383 30 10 IEEE C#C[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(F)cc1 1211945891 HNAXOXQTJCKDBC-NHCUHLMSSA-N 446.500 2.457 30 10 IEEE C#CCOc1cccc(NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)c1 1215273311 IDSQMOBOJWEGGJ-MRXNPFEDSA-N 428.489 2.040 30 10 IEEE C#CCOc1ccc(CNC(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)cc1 1228795781 JOFWERNPZGBCGS-GOSISDBHSA-N 427.476 2.250 30 10 IEEE C#CCN(C(=O)NCC1(c2ccc(Br)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1248463550 VDWSOSDOJFHUSN-MRXNPFEDSA-N 425.348 2.313 30 10 IEEE C=CCn1cc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)nn1 1252077115 RNASADZWGVCUTB-UONOGXRCSA-N 432.447 2.451 30 10 IEEE C#C[C@@H](C)NC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1252432175 SPUGUJAUUUPSQN-OAHLLOKOSA-N 425.346 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCCC1 1286402379 WMUJCKXVXQQSHD-UHFFFAOYSA-N 441.513 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CC=CCC2)CC1 1286489352 PLIZVSBIBPJQEP-UHFFFAOYSA-N 448.571 2.181 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286500590 ZECHXHSSYSJJFU-MRXNPFEDSA-N 429.546 2.030 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286689355 NASDDOVQOZVBLC-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC([C@H]2CCOC2)CC1 1286821556 PBYHVRNLCJKKTB-IBGZPJMESA-N 445.589 2.118 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286828383 LHOZVHKFXPHAQX-SFHVURJKSA-N 431.610 2.146 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1288357066 QETOXPJZWNOZLJ-OAHLLOKOSA-N 444.598 2.330 30 10 IEEE N#Cc1c(CCCNC(=O)c2coc3c2C(=O)NCCC3)nn(-c2ccc(F)cc2)c1N 1290813830 FJXRMILHMSYXKJ-UHFFFAOYSA-N 436.447 2.097 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1290921579 HPDDXLNZNXNECE-ZCXUNETKSA-N 427.509 2.343 30 10 IEEE O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NCC#Cc1ccc(C(F)(F)F)cc1 1294495951 CEZHXVMYQRVLEL-UHFFFAOYSA-N 425.428 2.182 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)C)CCOC1 1296648895 DJKDNUQTJRHMKL-JOCHJYFZSA-N 425.537 2.179 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(C)c(C(=O)OCC)s2)s1 1300032841 QSPGAOQZEKRWJE-UHFFFAOYSA-N 429.545 2.335 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC(C)(C)O)c1 1300334977 XIZAUTCWZBUDFU-UHFFFAOYSA-N 432.528 2.481 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1300339998 UNBDOBIQRXXHQK-KRWDZBQOSA-N 448.568 2.158 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1300495941 LIWFHGNPVWUEJY-PMACEKPBSA-N 442.585 2.268 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1300502047 PSYYKVVWOVITPI-SJORKVTESA-N 436.628 2.310 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@]2(O)CCC[C@H]2C)n1 1300681434 PEQNBBUQJKVHOU-NTKDMRAZSA-N 449.559 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCOC)cc2)CC1 1300695786 JNSGTTLFVDUNNE-UHFFFAOYSA-N 434.544 2.112 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Cc2cccs2)CC1 1300706017 GTHVRVMGIGOXQH-GOSISDBHSA-N 426.590 2.096 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1300805412 BVQITRBALSMTJR-XJKSGUPXSA-N 436.525 2.468 30 10 IEEE COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1301124807 HVOAJOLKANJCRT-MRXNPFEDSA-N 427.509 2.107 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)COCCO1 1301305581 HPKZBGXFCQLOBD-DEOSSOPVSA-N 440.592 2.071 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1Cc1nnn(C)n1 1301349086 DTAPLAAEAHNZPI-UHFFFAOYSA-N 449.544 2.034 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301576761 GYBDYPKKLDHYRH-UHFFFAOYSA-N 449.577 2.142 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)C1 1302172797 GLCXQWDBYSURRV-LJQANCHMSA-N 437.504 2.383 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1314948919 DTRNZYVQSGPACJ-AWEZNQCLSA-N 426.912 2.185 30 10 IEEE Cn1ncc2cc(S(=O)(=O)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cnc21 1321463829 LRDAHZATMQONLE-UHFFFAOYSA-N 434.437 2.146 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358956529 HDVMYWMYSUMWHG-ZWKOTPCHSA-N 449.621 2.067 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358967898 VGDWZWXYIYFOEZ-GOSISDBHSA-N 438.594 2.038 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC(C)(C)C1 1358968251 DUUJMYUXCJKEDE-UHFFFAOYSA-N 448.571 2.331 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1359008808 AMKKWPVJCPFATM-UZUQRXQVSA-N 444.580 2.330 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN(CC)CC)C1 1359296163 ZDSYTTJDKBSYMB-INIZCTEOSA-N 431.972 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C1Cc2ccccc2C1 1359331881 JXCHQLZNEPELBS-LJQANCHMSA-N 430.574 2.377 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1360606306 BQGXFWCBYRMOKE-HZPDHXFCSA-N 433.557 2.413 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)s1 1445182484 IHKDINZTAYMHBX-HZPDHXFCSA-N 427.592 2.003 30 10 IEEE CN1CC[C@](Cc2ccccc2)(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1447623811 BPTSTHVEMHMFPF-BWKNWUBXSA-N 430.508 2.261 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)COc1cccc(Br)c1C#N 1462131823 VHFIRQFAYXMKHG-DOMZBBRYSA-N 425.279 2.174 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)[C@@H](C)C1CCC1 1501551016 UOZGDJPMBZCQIN-AOMKIAJQSA-N 443.573 2.381 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C#N 1503281262 AEDZGRXGGODEDG-GFCCVEGCSA-N 428.921 2.273 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)C[C@H]1O 1503881727 FTFOQBMPDAEKIX-UYAOXDASSA-N 439.516 2.279 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2CCOCC2)cc1 1505317648 ASUANFRHCYDIHP-LJQANCHMSA-N 438.532 2.247 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCOCC1 1507522279 UUIILCDTBUZRPR-QGZVFWFLSA-N 445.589 2.470 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1507563316 FHOOQQFAWHNGPS-FQEVSTJZSA-N 438.532 2.446 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507604248 IMXQZDFBRBIVPP-KRWDZBQOSA-N 438.557 2.153 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCS(=O)(=O)C1 1507609599 BJNSZIYTGPMWMO-GFCCVEGCSA-N 441.326 2.351 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1507634786 MRRPLFUYRLXNBG-IBGZPJMESA-N 428.558 2.391 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(C)C 1507652978 QNPQYRRRJYIIJS-LJQANCHMSA-N 445.564 2.474 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC=CO1 1507653866 WHSVRNDVVRMACH-SFHVURJKSA-N 428.496 2.440 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507705264 QQXJMGHJUXESDH-KRWDZBQOSA-N 441.454 2.196 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)COC)CC1 1507734142 HKWOTNBNPROZRG-KRWDZBQOSA-N 425.533 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1507740297 ZXHANULQXODESN-QAPCUYQASA-N 442.589 2.316 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1507774584 KLZOGQCTVIMRLB-AWEZNQCLSA-N 434.342 2.150 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@H]1C 1507809037 WBRZAPMSPNMLAU-UTSKFRMZSA-N 443.639 2.200 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507915877 GEWVUSUCLYAUDV-RBUKOAKNSA-N 432.613 2.421 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccs1 1508040849 CGJXWEYMHBXFNG-UHFFFAOYSA-N 437.529 2.336 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCN/C(O)=C1\N=CC=CC1=O 1511285088 FJKSCGFYKFBYDV-YWBAYFEHSA-N 433.516 2.300 30 10 IEEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1523991836 NYDDDBCNWHXRJF-UHFFFAOYSA-N 437.456 2.113 30 10 IEEE COC(=O)[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCC[C@H](OC)C1 1527246642 JFZMWGZODKJVDH-LTIDMASMSA-N 425.526 2.437 30 10 IEEE C#CCN(C(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N)C(C)(C)C 1538270157 WFVHFXRXLTZOMK-UHFFFAOYSA-N 447.580 2.361 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1539226225 VUGUJKYXDNAQOP-DLBZAZTESA-N 442.532 2.062 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1539437435 ABLWKGUXBRBNMU-SFTDATJTSA-N 447.587 2.071 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539603054 IRHAYBSEHLGYPC-CYBMUJFWSA-N 439.339 2.183 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3c(C)cccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876339 ODHQTBNCLSUUAF-XMMPIXPASA-N 439.560 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1C(C)(C)C 1540908112 CBWPEOIHVZRGHD-QGZVFWFLSA-N 435.598 2.226 30 10 IEEE CC(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1541691412 LGWDTUCKPXLXON-WOJBJXKFSA-N 438.532 2.494 30 10 IEEE CCCNC(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C#N)C1 1547245602 AJCPHJVOTYCPOT-SFHVURJKSA-N 426.521 2.065 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)C1=O 1556383232 KAQRIEYRECKBDX-KRWDZBQOSA-N 427.505 2.218 30 10 IEEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OC 1558382995 RTFPGXURNKQBHN-QGZVFWFLSA-N 444.500 2.380 30 10 IEEE C#CCN(C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)C1CCN(C)CC1 1565417795 QWYDIXPGLJBNBB-SFHVURJKSA-N 442.564 2.013 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)COc3ccccc32)c1 1566171169 PUSXOMODENUBIY-UHFFFAOYSA-N 426.494 2.029 30 10 IEEE CCOC(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1566186424 GQJOUKHRKGZZSI-GOSISDBHSA-N 442.545 2.215 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1569724958 KCPJLTWHNFYQKT-QGZVFWFLSA-N 436.530 2.043 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(C)nn(C)c1C 1588078837 NTQDPQQEZAEUIA-UHFFFAOYSA-N 449.946 2.333 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(F)ccc1OC 1588629099 XNOCNRRBKUAYRY-UHFFFAOYSA-N 441.463 2.288 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1589109726 JDBAEDKVSUZQGE-MOPGFXCFSA-N 431.606 2.410 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1593671971 UYYBTJNQXIUOER-UHFFFAOYSA-N 425.468 2.159 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1594784262 VLVHCXXUOFWTDD-UHFFFAOYSA-N 448.568 2.164 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1596792430 WJMPBZYTBLEOJT-WMZHIEFXSA-N 448.612 2.150 30 10 IEEE C=CCn1cc(C(=O)N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)nn1 1597869268 RMKSGMQXDWIWDR-ROUUACIJSA-N 430.553 2.152 30 10 IEEE C#CCOCCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1608104784 UYXMMFQGHKMYQD-ZDUSSCGKSA-N 449.392 2.020 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1612917714 OFVDJIJODDYSRW-SIKLNZKXSA-N 437.592 2.314 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@@H](OCCO)C1 1616318071 ZZVRTVFZCNDFQH-UYAOXDASSA-N 429.517 2.392 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1618909625 CNGNPGYAYRSVMD-HNNXBMFYSA-N 434.566 2.359 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](OC)c1ccc(F)cc1 1620110952 GXCFTDKWXCFYFL-FFGOWVMKSA-N 445.495 2.258 30 10 IEEE N#CCc1ccc(OC[C@@H](O)CN2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1 1620465294 QDFIIFMVIHXXQL-SFHVURJKSA-N 439.466 2.469 30 10 IEEE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2)cc1 1620624016 MMQSMPBLTGGQMB-UKILVPOCSA-N 436.556 2.123 30 10 IEEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 1622759826 AMLUNSDABYTPFB-OALUTQOASA-N 433.379 2.476 30 10 IEEE COC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccccn1 1625004485 YBZMRFIWIUUEPW-ZTHJGWAOSA-N 428.489 2.199 30 10 IEEE COc1cc(NCCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)ncn1 1630693368 ALIDCZCNIRPZGV-UHFFFAOYSA-N 445.321 2.174 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)[nH]2)c1 1635917346 ZLMJKFWNEGODIM-UYAOXDASSA-N 430.386 2.376 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1639556087 HLAXIZYUKJIVDG-INIZCTEOSA-N 444.532 2.145 30 10 IEEE N#Cc1cnc(NC[C@@H](O)COc2ccc(I)cc2)c([N+](=O)[O-])c1 1642218269 NFGYVNJJKFQDCR-GFCCVEGCSA-N 440.197 2.318 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2c[nH]c3cccc(C#N)c23)C1 1644408580 FWPLPIXUJYLNSS-OAHLLOKOSA-N 446.529 2.194 30 10 IEEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1648613022 OTFJOKSQQLCXJV-ZOKDDAQRSA-N 443.614 2.387 30 10 IEEE Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c12 1648787403 OPWDHRHYKZXGGG-UHFFFAOYSA-N 449.515 2.449 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1649142006 ORSQNOOQECKCJM-JLZZUVOBSA-N 438.468 2.216 30 10 IEEE CCS(=O)(=O)c1ccc(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1651221152 PSYMJRUEYONNQZ-UHFFFAOYSA-N 444.509 2.317 30 10 IEEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1653212302 CDSFUBTWXZXCPI-UHFFFAOYSA-N 434.468 2.346 30 10 IEEE COc1ccc(Cl)c(N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1 1654110706 AKKQAIREHGCRLI-OAQYLSRUSA-N 433.984 2.163 30 10 IEEE CN1CCN(c2ncccc2CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1667774634 HPEDFLPGCWGNDO-UHFFFAOYSA-N 447.587 2.169 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 1668519653 MTRCNHFXDXRMKP-KRWDZBQOSA-N 436.530 2.448 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)CCC)c1 1689868579 LDHIOJLMGTXUEY-HSZRJFAPSA-N 440.548 2.024 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@@H](F)C2)CC1 1690132238 MJCCOQJNNRDWFK-DLBZAZTESA-N 430.553 2.163 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C(C)C)C(C)C 1690189887 FOHXWOMHVHSRGT-WIYYLYMNSA-N 438.642 2.389 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1690666667 CBHOTUGLBUHHTA-UHFFFAOYSA-N 430.516 2.236 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CC2)c1 1693036029 HRNLOUQHPLUMGS-ZQHDKMAOSA-N 429.546 2.114 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncnn2C(C)(C)C)c1 1693228828 CIKSNVGGLXGBJE-SFHVURJKSA-N 436.520 2.289 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693940850 GRSXBLRPFKFOQS-WCAVRKLYSA-N 439.564 2.172 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1693954728 BAIFBZKRYGWAIQ-ORYQWCPZSA-N 440.548 2.219 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1694030871 QLDDIUQFWCQFFG-QNCLTPOOSA-N 429.569 2.237 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1696954553 LQLVHTJKGCTNMF-UHFFFAOYSA-N 449.559 2.086 30 10 IEEE COCCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698007892 ASTTTWJMGXPALC-QFIPXVFZSA-N 448.527 2.456 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(O)CCOCC2)c1 1705505979 XAMOWXHEYXDCQS-UHFFFAOYSA-N 449.511 2.444 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1705565664 JFJNPBMCEZSEBF-KRWDZBQOSA-N 444.557 2.270 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccs1 1705606914 KFNRMMSEJFCBCM-UHFFFAOYSA-N 430.559 2.160 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1705676029 KCPZATOADCAEJV-JOCHJYFZSA-N 440.573 2.282 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(NC(C)=O)CC1 1705698119 PRSGUIJBXPCQMI-QRFRQXIXSA-N 435.569 2.088 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705735098 JHHULEFHTVWEPG-HKUYNNGSSA-N 445.568 2.339 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705799865 IFFCASJRKQNDKZ-SFHVURJKSA-N 431.585 2.355 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1705923984 RNMDHMAVVDTDRM-SFHVURJKSA-N 433.578 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(F)F 1705936298 NRNRMEQOLJQLEK-MRXNPFEDSA-N 442.488 2.483 30 10 IEEE CC(C)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1/N=CC=CC1=O 1706278896 WSTICUBCGQQEPI-XOMICKMZSA-N 438.536 2.175 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1706912921 AZUIOGQVHFLZLY-NSJMIIRRSA-N 433.509 2.197 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)OC 1712151083 DZBKJQPCIUOAHC-XLIONFOSSA-N 441.532 2.252 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1712694859 BGHLHCKZSHMPQS-UHFFFAOYSA-N 441.513 2.383 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1712810732 MAQUZTZFFWGCSN-UHFFFAOYSA-N 441.605 2.170 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722313503 WNXODCNWMBOMFP-QGZVFWFLSA-N 430.530 2.491 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722366519 RHMKCYFZMLBWCR-MRXNPFEDSA-N 426.464 2.366 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCOC1 1722419953 DWPUWKHQDIUIMB-FQEVSTJZSA-N 449.349 2.253 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)CC1 1722439189 RVONJOSYYHWKNH-UHFFFAOYSA-N 438.482 2.354 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC(C)(C)C1 1722478799 YPPIFVDUJFLPCA-SFYKDHMMSA-N 431.581 2.105 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1722502136 RJCUKUVVAKGPPI-WSZRMNBISA-N 444.580 2.371 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1722594582 OOIKWDWPOBMEOJ-FQEVSTJZSA-N 449.559 2.334 30 10 IEEE C=CCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722691617 WOGXBEOMIFRNIV-SIKLNZKXSA-N 430.553 2.223 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1722718260 HUMBFVDKLYGBJA-WOJBJXKFSA-N 446.573 2.178 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccoc2CC(C)(C)C1 1722727801 RIHBAXOPNSKROB-MRXNPFEDSA-N 447.561 2.012 30 10 IEEE Cc1cc(C)n(-c2ccc(Cn3c([C@H]4CCC(=O)N4)nnc3N(C)[C@@H](C)CC#N)cn2)n1 1725865679 AKZCKXHMHAMSEG-MAUKXSAKSA-N 433.520 2.213 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H](C)O1 1726672990 WFCPRAYHHUFHCS-HZPDHXFCSA-N 429.546 2.398 30 10 IEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740613313 CCKRVNZOIGHBCO-NRFANRHFSA-N 438.576 2.178 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1740622930 LBSZGZKUHNEECX-HXUWFJFHSA-N 428.558 2.367 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(F)F 1740668817 AXKWLRMMECBDPB-UHFFFAOYSA-N 430.459 2.323 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](OC)C(C)(C)C1 1740719393 FFUVWCCWABRTGA-MRXNPFEDSA-N 433.603 2.497 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1740724099 YDHNMCZWKWQIIE-OAQYLSRUSA-N 440.939 2.347 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1740851562 ZHNCLWQKAJPSCX-JCYILVPMSA-N 443.589 2.398 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740875803 KHTOIOBKXXFBDI-QZTJIDSGSA-N 438.594 2.168 30 10 IEEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1)C(F)(F)F 1741894430 CPEAHBISGURIHO-CQSZACIVSA-N 445.453 2.066 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1746687156 WAPKMXVEOQLQJU-QFBILLFUSA-N 425.480 2.484 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749044745 TUIDXKNHUNKPIV-IEBWSBKVSA-N 440.573 2.123 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749246473 CQCVEOJFDASXSE-INIZCTEOSA-N 430.944 2.162 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749660931 WIWNFYBYTFJUMC-APWZRJJASA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749671876 MCEVSYGOJWLFCV-JKSUJKDBSA-N 431.487 2.312 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749687149 LYCBDVSEZQBFFQ-HXUWFJFHSA-N 448.527 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2)C1 1749698282 SKVMIULDPUEFOX-YJBOKZPZSA-N 437.541 2.051 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1749700674 MMWTUJUWOBXYCA-GBESFXJTSA-N 444.532 2.284 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1750203864 VXXCDAIOJPKURO-MOPGFXCFSA-N 429.546 2.257 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1750886381 DDBRLVDTOUEEMJ-ROUUACIJSA-N 447.584 2.419 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760192167 RLTXJKFCVYWNBP-QYZOEREBSA-N 428.558 2.182 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1760232705 CGMNCSMQDRIZTA-CQSZACIVSA-N 446.964 2.228 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](c3nc(C)no3)C2)nnc1[C@]1(OCC)CCOC1 1760286681 RMDOBOFBUIETBX-UTKZUKDTSA-N 446.577 2.372 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C(N)=O)nc1 1760289782 UWAJBRDHOKQTCF-JOCHJYFZSA-N 431.456 2.388 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1760344814 JRAHBGGRIJDXMT-UHFFFAOYSA-N 433.516 2.211 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760449699 RLMMMRWNKMIYDE-VQTJNVASSA-N 441.532 2.408 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1760754709 CRIVBNWVUCRONA-OAHLLOKOSA-N 434.566 2.145 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCS1 1763177019 GNPRFLBOXQYHDR-QVKFZJNVSA-N 426.546 2.149 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1766686884 GTTFLLNSVKHCCG-RTBURBONSA-N 429.546 2.399 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H](C)CC#N)c1 1767641974 NOLLKTUULMWUSJ-VDGAXYAQSA-N 440.548 2.343 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)CC1 1851086621 FHXPKKMMGAEUFN-UHFFFAOYSA-N 434.887 2.179 30 10 IEEE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(C(=O)NC3=CC(=O)CCC3)c2)CC1 1851575880 BVZWCHIPTFKKHO-UHFFFAOYSA-N 434.514 2.017 30 10 IEEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1855323244 BCZFHRNVUNFDFO-KRWDZBQOSA-N 426.542 2.411 30 10 IEEE CN(CCc1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856583741 PXXVCXHAWLQVFP-UHFFFAOYSA-N 433.436 2.157 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862676890 UBFAYKIPVXTQMZ-GOSISDBHSA-N 426.400 2.238 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1 1862741064 KTHUFTIRKWKHSF-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc2c(c1)OCCO2 1862746039 XFCPRLCEGJEJTQ-HXPMCKFVSA-N 440.408 2.325 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)c1 1866929768 TUHNLYNWZZQMOR-GHTZIAJQSA-N 439.537 2.439 30 10 IEEE CC[C@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868794812 GQRJFYVWZNDHCV-AVRDEDQJSA-N 431.606 2.084 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004669 HIOIBPORTDEKOG-AWEZNQCLSA-N 437.472 2.347 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC2CCCCC2)cn1CCOCCO 1870573722 JPCVJZIKTAYBOC-UHFFFAOYSA-N 448.560 2.286 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCCOCC 1870668921 PPHFDBSFCGFXMK-UHFFFAOYSA-N 436.549 2.407 30 10 IEEE C=CCn1c(C(=O)N2CCCCC2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232165 BLIYGYSIDKGWEP-UHFFFAOYSA-N 428.518 2.351 30 10 IEEE N#Cc1ccc(CC(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 1889753523 KCQMHEVZULVCSV-UHFFFAOYSA-N 429.406 2.296 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCC(=NO)CC2)C1 1923307186 HQCTWGQRVIAMRO-UHFFFAOYSA-N 433.530 2.489 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1993279942 JCXLMJVHXVLPAO-NRFANRHFSA-N 427.542 2.193 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2049162539 MOAOZKDKHPSHLS-RTBURBONSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2060635266 KBDNWLVKDPMYCF-NRFANRHFSA-N 432.330 2.408 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404514 MRZBUFJZBCNCAG-LBPRGKRZSA-N 440.375 2.139 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255704779 MKPAPPMCXUHCAW-NEPJUHHUSA-N 430.232 2.250 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830866 LVVUKFMQXTUGCU-AWEZNQCLSA-N 436.362 2.426 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837142 KHEVOXXJLIQASG-VNHYZAJKSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258958183 FIGXIFMPLAJKSH-IAGOWNOFSA-N 436.358 2.447 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267012742 ZISILZPRMBJGRO-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140435 QKDOSALZROKIMQ-IIAWOOMASA-N 446.357 2.227 30 10 IEEE CCn1cc(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267183241 FGVGKQYLKCTAQF-LSDHHAIUSA-N 448.373 2.378 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548908 VWUYZABUVZFQPU-SFHVURJKSA-N 436.365 2.370 30 10 IEEE C=CCC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267873423 YKYDDIGHVVBIKC-UHFFFAOYSA-N 444.341 2.071 30 10 IEEE Cc1nc(NC(=O)[C@H]2C=C[C@@H](NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268653782 RDRVUVGKZOJBRK-LSDHHAIUSA-N 444.341 2.492 30 10 IEEE COc1ccc(CNC(=O)C#CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701637 WGTQDXBJRLWBNG-UHFFFAOYSA-N 444.337 2.139 30 10 IEEE C#Cc1cccc(N(CC)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286058231 WXQURHKRNXKBFA-LJQANCHMSA-N 430.482 2.204 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2303309635 WICIPAVHIPGNLJ-FFGOWVMKSA-N 428.533 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315696688 HWWPUORUNOGLLY-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccccn3)CC2=O)cc1 2325882579 XSBIMOBSEQKLJB-OAHLLOKOSA-N 438.513 2.169 30 10 IEEE COc1cc(C=Nn2c(CC(C)C)nnc2SCC(N)=O)cc(Br)c1O 2331445894 YGMMTCCCMBLNKS-UHFFFAOYSA-N 442.339 2.413 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)[nH]1 2337025065 HRZORIPQYZUUQX-FUHWJXTLSA-N 447.385 2.453 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337286646 BKJCSNWEKDGILG-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@H]1CS(=O)(=O)CCN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377311000 QFWHIEDAFSFYCO-ZDUSSCGKSA-N 444.200 2.367 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1 10196256 MARISQGPRLBBBJ-QGZVFWFLSA-N 449.602 2.290 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc1 20291991 ACWNYWONOGDXBL-KEBDBYFISA-N 427.446 2.330 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1)Nc1cccc([N+](=O)[O-])c1 58994274 AGURGRQEBDJKEL-QGMBQPNBSA-N 429.418 2.301 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)n[nH]2)cn1 59831833 RBZVFYUFRAEIKK-AWQFTUOYSA-N 442.505 2.381 30 10 IEEE CC(=O)N[C@@H](CS)C(=O)Nc1cc(I)ccc1Br 305972395 KRXNYCICVMDLOS-JTQLQIEISA-N 443.104 2.427 30 10 IEEE Cc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c(C)c1CC(=O)O 460754156 JNXAGBWQWMGQRV-UHFFFAOYSA-N 425.470 2.492 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccco2)n1C[C@H]1CCOC1 461579680 DVNGWCAILKAFRG-ZWKOTPCHSA-N 448.531 2.070 30 10 IEEE COc1cc(N2CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)ncn1 470542288 NPBVGLOKSIZLBY-UHFFFAOYSA-N 449.515 2.422 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OC)c2ccc(-c3ccccc3)cc2)C1=O 471686218 FFGVULCLTXPNQL-IBGZPJMESA-N 449.463 2.051 30 10 IEEE CCOc1ccccc1C(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 473941130 AECDDYVVZFGSHP-SFHVURJKSA-N 438.509 2.227 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1OC(F)(F)F 479916351 XFZNXKZJAYDBCQ-GFCCVEGCSA-N 427.404 2.440 30 10 IEEE C=C[C@H]1CCCCN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 488842973 LODOIYMHNUAMJI-HNNXBMFYSA-N 429.336 2.370 30 10 IEEE COc1ccc(C=c2sc(=CC(=O)C3CC3)n(Cc3ccccc3C#N)c2=O)cc1OC 502474724 SPXCOJLGKONEHG-UHFFFAOYSA-N 446.528 2.435 30 10 IEEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2ncccc2C#N)CC1 502802444 MDOXTDIBWCQDFU-GOSISDBHSA-N 427.530 2.037 30 10 IEEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 506877005 TYLWCDUKHJJKAX-UHFFFAOYSA-N 444.488 2.369 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508684142 VGYVNRFXGRKQQQ-UHFFFAOYSA-N 433.476 2.280 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 508918437 FMWBWZGNQOWNBR-UTKZUKDTSA-N 432.546 2.309 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 508998355 CTHHWZXRHLZNCF-GOSISDBHSA-N 430.484 2.482 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 522843841 OFKNGNZFVJVXIJ-UHFFFAOYSA-N 434.390 2.341 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc3c(c2)CCC3)c1=O 533120352 HQLDPERSOMOTMV-UHFFFAOYSA-N 444.560 2.476 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(-n2ccnn2)cc1 540592937 WEINWCLLKMBZBB-FXAWDEMLSA-N 435.557 2.388 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)c1 552386893 LBSUXSZAKLLFHH-NSHDSACASA-N 425.308 2.194 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 555269659 ZNPYZBLEHFLCHZ-HIFRSBDPSA-N 435.554 2.109 30 10 IEEE COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 565413352 SBEMGHAENDLMCT-UHFFFAOYSA-N 444.469 2.072 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 568449408 DEUHQMJNHPFKQX-CRAIPNDOSA-N 435.550 2.003 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 670208266 JSEDRTNIYPZUKV-QGZVFWFLSA-N 444.517 2.194 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 728192379 JYHSFBGSPVZNRY-GOSISDBHSA-N 433.461 2.366 30 10 IEEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 728768714 KFBHAVWPNYNVHL-WBMJQRKESA-N 432.452 2.392 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2cccnc2)cn1 730144476 NBYUQOKDOKNPOJ-MAUKXSAKSA-N 443.577 2.059 30 10 IEEE Cc1cc(I)ccc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732413052 GMMBSSCDNOAKFH-CCEZHUSRSA-N 440.241 2.248 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 735337856 UGAZUSYDLREXKG-UHFFFAOYSA-N 429.772 2.490 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CCNC(=O)c2ccccc2F)CC1 739854861 OEUXWWPJJOVRIZ-UHFFFAOYSA-N 447.518 2.269 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CC[C@H](C)C2 746036852 GPRYMTHMJDRNKS-DZGCQCFKSA-N 444.557 2.187 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 746193224 FTQXNFBYPXVOEF-DSGGYQJVSA-N 439.447 2.498 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 753502656 KJNPWAHFKFXHBH-BLLLJJGKSA-N 444.315 2.310 30 10 IEEE CCc1c(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754344169 CMOVHGZAPTVQCM-UHFFFAOYSA-N 445.397 2.422 30 10 IEEE CN(C)CC[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757550299 KROWQDZNXJIFEQ-QFIPXVFZSA-N 449.507 2.050 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(F)c(F)c2)c1=O 758069429 SXPUJZFXQRVKHQ-UHFFFAOYSA-N 436.439 2.216 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c1C 764039763 PNUYASUZEBLEKP-UHFFFAOYSA-N 446.529 2.422 30 10 IEEE COc1ccc(-n2c(-c3cnccn3)nn(CN3CCN(C4CC4)[C@H](C#N)C3)c2=S)cc1 764991774 XEMMKQULOZFCTG-GOSISDBHSA-N 448.556 2.499 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1c(C)nn(C)c1C 775572834 CWLXVGNYTYJVNR-IBGZPJMESA-N 445.589 2.383 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CCN1Cc1ccccc1 779938153 CXMDNQVKOYSPBN-RDGATRHJSA-N 448.523 2.308 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787245582 IFVLXEVNBQQDDG-UHFFFAOYSA-N 431.562 2.414 30 10 IEEE C=CC[C@]1(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CCCN1C(=O)OC(C)(C)C 790719440 VVHMYPBZWPPSOH-RTOPAQNCSA-N 434.537 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)C1 791987532 GJTMYGQCFFUGLN-KRWDZBQOSA-N 430.505 2.491 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccnc(C#N)c3)cc2F)C[C@@H](C)O1 795969193 IFUWVYPEULCSTC-GASCZTMLSA-N 426.448 2.179 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 803523598 IKBJWLUVZHATMA-FQEVSTJZSA-N 442.537 2.081 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 805782438 LMDDSEWLXBDLQV-LJQANCHMSA-N 435.553 2.218 30 10 IEEE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 805927981 QAUKUZYUTRIMDD-CQSZACIVSA-N 432.433 2.245 30 10 IEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc(C)o3)n2N)cc(OC)c1 1084112257 DAUSLBOFCXDWSI-UHFFFAOYSA-N 431.478 2.087 30 10 IEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)c1 1084211175 PFWLPUFLUOROOJ-UHFFFAOYSA-N 442.457 2.424 30 10 IEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccccc2O)n1 1084636064 DNNZGFMLYANBFQ-UHFFFAOYSA-N 426.458 2.474 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 1128436986 QSBBINXJRDXELU-UHFFFAOYSA-N 429.318 2.296 30 10 IEEE N#Cc1ccc(OC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)c(I)c1 1128557420 JWJXJXQYXPKRQL-CNDDSTCGSA-N 431.251 2.424 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)C1=O 1132108504 YAZSIWQBAHNOSB-GXTWGEPZSA-N 434.290 2.130 30 10 IEEE CCOC(=O)[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1CCOCC1 1137919214 DSDVGXLXGJGSCH-QKBUSNMPSA-N 449.548 2.248 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC(C)C)c3nc(C(=O)OCC)n[nH]3)cc2C1=O 1139460937 FKZHMGWGYFGLAA-MRXNPFEDSA-N 439.472 2.281 30 10 IEEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)n1 1141568946 SWMKETZFUCJDPE-UHFFFAOYSA-N 439.520 2.027 30 10 IEEE COc1ccc(CNC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)cc1C#N 1153351296 GPFLIPGQAJNJSC-HWHUXHBOSA-N 435.402 2.169 30 10 IEEE Cc1cc(O)nc(N2CCC(NC(=O)COc3cccc(Br)c3C#N)CC2)n1 1156577158 DWIMPFLKYWQQQP-UHFFFAOYSA-N 446.305 2.289 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1csnc1OC 1179122565 RAZWQXNFSDLDRG-OAHLLOKOSA-N 436.559 2.408 30 10 IEEE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc2n1CCC2 1279112997 CONZJNZSXQFYKB-GFCCVEGCSA-N 427.848 2.133 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)CC1 1286319320 XRJIXDDZJIXEPK-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1286324230 LWRPJFDPCNHDPU-GOSISDBHSA-N 425.512 2.284 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1286391453 IORCGQUCJWXHKA-QYZOEREBSA-N 431.537 2.029 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286394298 OIESDQKLYKHPEO-OLRZCDJHSA-N 442.651 2.041 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCN2CC)CC1 1286485187 WZFRAMGLWGQDBN-QFIPXVFZSA-N 447.587 2.358 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1286540736 CYMKZWHBVSWWDW-CQSZACIVSA-N 445.383 2.096 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1286564593 GWWWHBNIPCBBBS-NQIIRXRSSA-N 441.557 2.279 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286777716 JXKWOUNIIJPQPB-QFIPXVFZSA-N 429.496 2.218 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1286778592 HLMCSDLBYFVZEY-KRWDZBQOSA-N 441.536 2.193 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1286780631 GSAAKUYAEQUVHS-SFHVURJKSA-N 436.564 2.064 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 1286817004 KBOZODMXCVWVCR-AVRDEDQJSA-N 445.589 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286825586 SVQXMNSVMLIQNU-IXDOHACOSA-N 426.583 2.370 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)C1 1288976220 VFIKGZJZGYUTCQ-IBGZPJMESA-N 433.419 2.365 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)c1=O 1295941698 FGEABGSMAQPDSX-UHFFFAOYSA-N 445.527 2.138 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1298755314 CAAMMYDRJAEUSQ-SFHVURJKSA-N 432.524 2.423 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)C1=O 1298873454 ZKNXFUDTIQPGAZ-IBGZPJMESA-N 448.449 2.189 30 10 IEEE C#CCN(c1nnc(COCC)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300504407 NFADKNYEGGWSJW-QGZVFWFLSA-N 434.587 2.234 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1300548273 YQQIAGUJGSIPBC-MBSDFSHPSA-N 443.548 2.228 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N(C)C)CCSC1 1300553720 QIGZJSDTOUJIRC-QFIPXVFZSA-N 430.622 2.097 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC1CC1 1300613902 UKQXQTSCKMYMCQ-UHFFFAOYSA-N 430.530 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300879103 ABKMCMUHUGNNFC-PXNSSMCTSA-N 439.564 2.457 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc32)CC1 1301105302 GUFQDOLBRHHQSY-NVXWUHKLSA-N 431.562 2.467 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301236178 AHUIYNRJTOMRPU-MRXNPFEDSA-N 444.502 2.180 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC1)C1CC1 1302459058 AMSUFKVOWXHTOF-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE CCOCc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1Cc1ccc(C#N)o1 1314383938 UPKCGNMYWLQIQV-UHFFFAOYSA-N 426.502 2.351 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1316527666 NOVBNCSKXYLXKH-GQIGUUNPSA-N 442.486 2.318 30 10 IEEE C=CC[C@H](NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12)C(=O)OCC 1324193324 RLMOLNNSULOBJE-CVSBZSRJSA-N 448.519 2.090 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358960407 DJVSKHTXIKPTAQ-JKSUJKDBSA-N 427.530 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC(F)(F)F)nc1 1358984378 SDXHYUMQHFFMKS-UHFFFAOYSA-N 448.449 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(COC)c2)CC1 1359047337 CBZVMCRCVQKFNY-OAQYLSRUSA-N 437.544 2.290 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1359240407 NOMIJMYWQBLZAD-GOSISDBHSA-N 449.552 2.104 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2C)CC1 1359297589 VNEOKBVAUDNIGF-UHFFFAOYSA-N 433.560 2.216 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359304899 NAGXYVSPNPYGGH-ZWKOTPCHSA-N 441.532 2.173 30 10 IEEE Cc1cc(CN(C)c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)no1 1361056441 PVSBFQYIAZYSBG-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1438407988 DCBRLXQJLMSQDF-QTEQDKRBSA-N 426.517 2.001 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 1452517036 VDKRNELTFFONPC-LBPRGKRZSA-N 437.424 2.205 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1456290976 KZILNNRMZSZECT-JEZWAEDTSA-N 446.475 2.277 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1462375436 GLGGTFZNXRENDU-YOEHRIQHSA-N 425.551 2.473 30 10 IEEE Cc1nc(CCn2c(N(C)[C@H](C)CC#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n[nH]1 1492691898 OLETTYAEFHERGI-BMFZPTHFSA-N 443.556 2.456 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1500565673 ZCKIEDNGKUHJMP-IBGZPJMESA-N 437.548 2.086 30 10 IEEE COCCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1504837315 DTVMBMDBDWQIRE-AVRDEDQJSA-N 442.495 2.135 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1507630549 BSYDHKITFBCSJK-SFHVURJKSA-N 443.573 2.092 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CC1 1507659815 FYNUOZJJZNJQHZ-GOSISDBHSA-N 425.558 2.083 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccccc1 1507929223 OGMOJLQNDWNVIR-UYAOXDASSA-N 436.560 2.427 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1507958946 DRPBDCKASITRPC-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=C(C)C[C@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)OC 1535346002 CUAWAIVVLGELQR-ZDUSSCGKSA-N 425.279 2.189 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539216971 YKTOYPFPAAYBMB-ICSRJNTNSA-N 433.622 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCn2ccnc2C1 1539417904 YUOLMPFVRSJIGQ-IBGZPJMESA-N 434.544 2.423 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1539430782 OCLYTZPNHNHQRD-VJBMBRPKSA-N 431.581 2.033 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539510817 OAFIXXCVVRAKHH-RTBURBONSA-N 444.649 2.148 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1539953253 GHRXGNBYBZVIGD-MRXNPFEDSA-N 431.562 2.372 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 1540019196 DLRAHCSSRMIAIA-UHFFFAOYSA-N 440.548 2.442 30 10 IEEE CCO[C@H]1COCC[C@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540832519 PQQLKEOZVUOSCN-YWZLYKJASA-N 429.496 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1540868423 FDFRNNGYCFISDX-IBGZPJMESA-N 446.559 2.138 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCCC[C@H]2C1 1540874933 WQJJDIIOWBWRLK-FQEVSTJZSA-N 438.576 2.451 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1542348740 NHYZNAPOQFWHOM-KURKYZTESA-N 438.569 2.353 30 10 IEEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCc2ccc(OCC#N)cc2)cc1OC 1546322407 DDZQCJWMYVFKEY-HSZRJFAPSA-N 425.485 2.360 30 10 IEEE CC[S@@](=O)CCn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1552453079 GQXRSPUARPHMQE-ORYDKMOMSA-N 438.598 2.413 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1554565059 ACHNYGSIEIDZJZ-UHFFFAOYSA-N 447.499 2.255 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1555190997 FAYCAKWKCIQQPS-PMACEKPBSA-N 440.548 2.077 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cc(C)ccc1OC 1555668233 HJHCHCMWJURSQD-IEBWSBKVSA-N 429.521 2.291 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)ccc21 1556219718 LRFAYNJIFQONQN-GJZGRUSLSA-N 443.447 2.431 30 10 IEEE C#CCN(CC(=O)N1CCC(n2ncc(C(=O)OCC)c2C)CC1)C(=O)OC(C)(C)C 1556550884 IZAIGIWRMWELKK-UHFFFAOYSA-N 432.521 2.402 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1556650307 GEVOSORZOROROT-FSSWDIPSSA-N 449.507 2.229 30 10 IEEE Cn1c(=O)[nH]c(N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)c(C#N)c1=O 1559166508 BDJPTPLZZOLPTC-ZDUSSCGKSA-N 443.261 2.099 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 1561616267 DAWKXOBNLOXBCV-GDBMZVCRSA-N 429.336 2.309 30 10 IEEE COC(=O)c1ccc(F)c2c1CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1564530594 FZIBMUFYXPAYIF-ACJLOTCBSA-N 446.479 2.439 30 10 IEEE CC(C)(C)OC(=O)NCC1(CCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1565022381 KONPRQUTMRJTAT-UHFFFAOYSA-N 428.537 2.480 30 10 IEEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1565261677 VYEBKFVMMOEDCQ-FNCVBFRFSA-N 444.344 2.374 30 10 IEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OCC 1583527350 XTXMVGUJSOLHSZ-KRWDZBQOSA-N 426.510 2.241 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1587809038 XSSIOONTVJXJLS-IEBWSBKVSA-N 430.578 2.383 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OCC=C)C1 1587823495 SJTPATFZKLZMKF-IBGZPJMESA-N 443.573 2.390 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC(=O)NCCc1ccccc1 1588242002 ZHQGEXKEWUAEGV-UHFFFAOYSA-N 426.524 2.086 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2Br)CC1 1588800748 NWLYDFUNJVZSOO-UHFFFAOYSA-N 440.349 2.245 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588813028 VQNHEJCPDQHDLJ-ZWKOTPCHSA-N 440.514 2.159 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)c1ccccc1 1593782346 OANUXJMBAKAXCG-DAABDDCCSA-N 445.589 2.199 30 10 IEEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594616978 VKSVPRZQTMRDOF-GOSISDBHSA-N 432.569 2.049 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1594858293 YGBTZICMZMNXGH-CJNGLKHVSA-N 442.536 2.092 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1595013666 FLMBMPZXZBXGFX-ULQDDVLXSA-N 447.502 2.278 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595411301 DSESWQMYUMQYPI-IIBYNOLFSA-N 444.530 2.322 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1595529934 NGWSKDKVNNFGDP-SFHVURJKSA-N 428.537 2.130 30 10 IEEE CN1CCCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1=O 1596924543 DDSYQMYOXUSLOB-YBAYSFDISA-N 434.562 2.477 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCSC2)CCOC1 1610430962 MSTURBGSBWXCNF-SFTDATJTSA-N 435.594 2.317 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1615100268 HQBOASBYSAEBAH-IRXDYDNUSA-N 447.584 2.467 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1617969230 FRJWFBCMKYQEOP-OAQYLSRUSA-N 434.548 2.033 30 10 IEEE COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1619624957 OILYDPGTEKVKIA-HXUWFJFHSA-N 435.507 2.447 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1 1622979224 DHDURMPAUZGLJN-INIZCTEOSA-N 426.521 2.343 30 10 IEEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1624956822 ZMNKTKFGJRYCHL-HNNXBMFYSA-N 438.550 2.302 30 10 IEEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)c2)CC1 1626836615 MJNMTSVVFATXNU-FLIBITNWSA-N 445.516 2.373 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cccc(C#CCO)c3)C2)cc1 1632035830 UEMZBKDHPLFTEA-HXUWFJFHSA-N 426.538 2.170 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(C(=O)NO)cc2)(n2cccn2)CC1 1634104996 VISGDGYLAOSMDB-UHFFFAOYSA-N 443.504 2.045 30 10 IEEE COc1cc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)ccc1C#N 1634121479 LOJIKEOCAGRUSR-UHFFFAOYSA-N 447.539 2.262 30 10 IEEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)O1 1634175337 YZGFCNZQRFLFHM-HBMCJLEFSA-N 439.516 2.063 30 10 IEEE C[C@H]1COCCN1C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1638000247 ZFDWBLYBZLRREA-DHBPRGKBSA-N 446.592 2.485 30 10 IEEE Cc1ccc(Cn2nc(C)c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2Cl)cc1 1640637172 UBQBGBPUOTWVFJ-UHFFFAOYSA-N 438.875 2.033 30 10 IEEE C#CCN1CCC(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 1645781590 MXCARPKPFBLPMJ-UHFFFAOYSA-N 427.364 2.217 30 10 IEEE C#C[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C1CCOCC1 1645988362 ZSGIIJHEQPEZIU-MSOLQXFVSA-N 431.537 2.398 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(O)(CC=C)CC3)nnc12 1649064937 LGXHFKBCOSELQI-UHFFFAOYSA-N 439.541 2.252 30 10 IEEE COc1ccc(Br)cc1[C@@H]1NC(=O)N(CC(=O)N[C@](C)(C#N)C(C)C)C1=O 1651830824 DQGCKWWNIBNCAF-MAUKXSAKSA-N 437.294 2.105 30 10 IEEE C#CCC1(O)CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 1659928877 JVDFYHKFMVKZKV-UHFFFAOYSA-N 435.480 2.456 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CN(c4ccc(Cl)cc4)CCO3)CC2)c1 1682744104 ROSRROOXZXWURK-HXUWFJFHSA-N 440.935 2.344 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)C2 1684863129 IBTMHVMFKGIVTQ-LJQANCHMSA-N 444.944 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1689848649 YZHMZGBFWVRGCS-QGZVFWFLSA-N 449.559 2.295 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1690109469 SKMVVBZMWRRIDM-GOSISDBHSA-N 434.535 2.485 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690183228 QIPZGBDKGLUEBW-GOSISDBHSA-N 448.614 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1C 1690714263 INBZAQFCOYPJCI-UHFFFAOYSA-N 431.562 2.060 30 10 IEEE CC(C)N1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)C2)CC1 1692494043 BBWCECQITDAFGN-NRFANRHFSA-N 437.592 2.192 30 10 IEEE Cc1nc(Cc2nnc(N(C)CCCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1693344580 JGHPORPUALGHRE-UHFFFAOYSA-N 434.547 2.018 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@@H](C)C1 1698060711 IOXONSGIBHBSMQ-JKSUJKDBSA-N 430.509 2.187 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCCO)CCN1C1CC1 1698493165 JHAOFGUZDXIOJQ-HXUWFJFHSA-N 444.967 2.098 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](OC)C(F)(F)F 1705545353 XDAXDEMLZRWRMO-HNNXBMFYSA-N 430.452 2.385 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1705563584 AKANYOUTOQFFNB-QGZVFWFLSA-N 433.484 2.489 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC(=O)NCCC)CC1 1705634817 JYJLXBXWPOCYMS-UHFFFAOYSA-N 434.588 2.420 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)C1 1705653229 CHHTVGFGHDASTQ-KRWDZBQOSA-N 443.573 2.462 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2)C1CC1 1705849565 PWGIXBFZVLRFND-OAHLLOKOSA-N 430.578 2.365 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1cccc(O)c1 1705909223 QKBQLUNGKUSATQ-SYNHAJSKSA-N 429.521 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1Cc1ccccc1 1705934104 BEASJHMKBJDNAZ-RTBURBONSA-N 443.573 2.042 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1708531295 BHRIJMFYIUFMQT-IRLDBZIGSA-N 442.656 2.386 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)C1 1710346787 NCXFCSTZJHQLPH-BHIYHBOVSA-N 446.552 2.473 30 10 IEEE COCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1712370790 RVHHNOBBEFNIJX-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722312056 SNIBATMJBBVUJL-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1722399251 RUEYWMADJRKSEW-UHFFFAOYSA-N 429.528 2.121 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)COC 1722406783 VMMZFABYKCUAAX-UHFFFAOYSA-N 433.578 2.328 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722461663 DRKZTIFAGMPSFG-JOCHJYFZSA-N 444.605 2.192 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1722468697 SOOMMDNDFQUKGR-JOCHJYFZSA-N 445.470 2.397 30 10 IEEE C=C(Br)Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1722488421 GNIPQOWZQUBLGQ-KSSFIOAISA-N 443.342 2.228 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722623951 OPZLNGNDLHSUNM-OXQOHEQNSA-N 441.532 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccccc2F)C1 1722711082 AANHWZFKIZDEGH-MRXNPFEDSA-N 437.479 2.086 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722727828 ORQNVEXUAYKMLM-KRWDZBQOSA-N 429.550 2.121 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1727869031 GAGHRRHMTMNSJZ-UEKDZROGSA-N 449.515 2.168 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1728140436 KCCCJCGFGFDRBF-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)C1=O 1729591998 FNQWACXAYWNBMP-IBGZPJMESA-N 446.353 2.264 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1740547928 CBOYFSNGVADAQQ-RHSMWYFYSA-N 430.509 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)C(=O)NC 1740681769 VERNQYJNUKCMSO-UHFFFAOYSA-N 433.940 2.465 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1740724479 DHOZWLFSWYLWPY-ZUEVXXBESA-N 436.607 2.449 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cc(CO)nn1 1740770187 JWVOWBOVBMZYOZ-UHFFFAOYSA-N 439.520 2.293 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1740851226 RFKLVVCXWIYQEP-KRWDZBQOSA-N 437.610 2.264 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1740928731 SNWKCONYCSUSPD-UHFFFAOYSA-N 439.516 2.144 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1740938009 VFGWLWQIUITYSO-ZWKOTPCHSA-N 447.561 2.025 30 10 IEEE C=CCSCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1741004778 MAMVERDPLXIMFU-XMSQKQJNSA-N 449.621 2.439 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C(F)(F)F)O1 1743243782 DICZWZAZEVKTQC-MAZHCROVSA-N 434.422 2.251 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1748724030 HXGVPERZCDBLNP-UHFFFAOYSA-N 445.589 2.487 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748808084 HROGPXZROHTAJM-WMZOPIPTSA-N 446.598 2.334 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1748817964 UCZBMWNWEARIMZ-RTWAWAEBSA-N 442.585 2.214 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748825208 WNUNLFZTSJSLIY-SQNIBIBYSA-N 444.557 2.148 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOc1ccc(F)cc1 1748846896 MAOHWCXECLVUNQ-GOSISDBHSA-N 444.532 2.251 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(CCCCC2)O1 1748863643 BVHNKSUTXJARBC-OALUTQOASA-N 447.605 2.233 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-c1cnn(C)c1 1748947996 CTLORTJVLPOSQR-UHFFFAOYSA-N 447.543 2.049 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749028854 HXRPBJOWQXEBQY-ICSRJNTNSA-N 441.601 2.477 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749031610 CMYIRVCZFFWYDG-AWEZNQCLSA-N 438.479 2.211 30 10 IEEE C#CCSCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1749048020 GVHREPPZKSEFJX-GOSISDBHSA-N 432.638 2.075 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1749152723 DPJKQCDGHQLBLQ-UHFFFAOYSA-N 449.606 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749660004 LUSMTAWRYKALOL-GOSISDBHSA-N 449.540 2.462 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1749676861 GKUPJFUWFVDHSX-UHFFFAOYSA-N 429.594 2.405 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682639 XNUFTTBLRVMZJK-VGSWGCGISA-N 429.521 2.208 30 10 IEEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1749743077 LDYHFQAFUFFAQC-UHFFFAOYSA-N 436.520 2.015 30 10 IEEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1751805879 BXGUQKLEQGVDOS-QGZVFWFLSA-N 432.532 2.469 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1752747300 LXCDPONMBQZFPQ-HZPDHXFCSA-N 434.566 2.412 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760155921 OOBQKAHKJGRXKC-UHFFFAOYSA-N 445.589 2.057 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1760177681 MLPSPKISMXUMEF-HNNXBMFYSA-N 446.577 2.500 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760187374 VNWIQYLFDAUKIC-VQTJNVASSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCN1CCSCC1 1760223674 ZAKQMHZEUXCJTL-UHFFFAOYSA-N 439.585 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)c2nccs2)CC1 1760272052 XAJRTTVFLFHVHP-QGZVFWFLSA-N 449.584 2.490 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1760289862 SPXOLQXJJVVHHG-CBGDNZLLSA-N 436.626 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C(=O)OC)C1 1760313200 KOXLPSIXFMTOHE-BQFCYCMXSA-N 433.553 2.177 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760321217 CSOXFQWGQRFQBN-OFNKIYASSA-N 444.624 2.346 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)C1 1760351321 GHWIEZAYAWWZMF-MJGOQNOKSA-N 433.578 2.475 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760358430 VZZQEYFRCXUWON-PZJWPPBQSA-N 446.640 2.448 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1760449758 UHWXSPYJROPPJK-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1[C@]1(OCC)CCOC1 1760514163 VCSPCFHQTZHXKS-QFIPXVFZSA-N 426.496 2.454 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CCCO)CC1 1760555690 KSWKFBOBJBFSNJ-GOSISDBHSA-N 426.583 2.109 30 10 IEEE CC(C)[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1760865907 GCMILJFKURFSGN-FGZHOGPDSA-N 442.543 2.301 30 10 IEEE CN(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1766891858 CMUPYUCAIBPJAI-RTWAWAEBSA-N 435.507 2.435 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)C1 1767625731 GLAYTOITIXBSDY-QHCPKHFHSA-N 449.515 2.344 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1767767805 BPLYNUBAEWGYNS-WMZHIEFXSA-N 438.532 2.117 30 10 IEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2nncn2C)c1 1768406400 HVBBVTHFQWCTMM-GFCCVEGCSA-N 445.325 2.489 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768798820 MGZCWFAJXCSWDH-QQMHEVNUSA-N 428.537 2.325 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cc1 1770282453 STHJXZVHXPZPCE-NHCUHLMSSA-N 431.468 2.113 30 10 IEEE CO[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1770651950 RIHISCZYSJTUSG-MKSIGINJSA-N 442.564 2.398 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCN3CCC4(CC3)OCCO4)n[nH]2)c1C 1850336688 GHRNWSQSJZNMSU-UHFFFAOYSA-N 428.537 2.035 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCC(C#N)CC3)CC2)cc1C 1850671063 ILYLUEATRKIORN-UHFFFAOYSA-N 432.590 2.056 30 10 IEEE COc1ccc(CN2CCn3nc(C(=O)N(CCC#N)Cc4cccnc4)cc3C2=O)cc1 1851469954 AZIXWDNDHFAFCD-UHFFFAOYSA-N 444.495 2.499 30 10 IEEE O=C1C[C@@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccccc1 1853005569 JRQVFBJZJKQCSE-CQSZACIVSA-N 431.436 2.296 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2cccc(Cl)c2)C(=O)C1 1853952751 HMDMNMUDONDXGK-UHFFFAOYSA-N 431.901 2.204 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1 1854020677 KQPWUOIRMULTGT-UHFFFAOYSA-N 431.901 2.204 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)Cc4cccs4)C(=O)C3)C2)c(F)c1 1854196774 VKFRGOQYBBTBHE-GOSISDBHSA-N 426.517 2.247 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)COc3cn(CCCO)c(C(=O)O)cc3=O)c2C#N)C1 1857882746 JSXBXNNAEOGAMH-GFCCVEGCSA-N 445.497 2.004 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1864949059 UCLHSKJVTJEIEU-QGZVFWFLSA-N 427.461 2.458 30 10 IEEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1cc(O)c2cccc(I)c2n1 1866526598 BYSGMUNMMBJLTN-VIFPVBQESA-N 439.209 2.374 30 10 IEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc(OC)cc1 1870975842 MRJFSRXJAQLGKO-UHFFFAOYSA-N 442.560 2.492 30 10 IEEE N#CCS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390829 KXWPNLNAMGFCBU-LJQANCHMSA-N 428.466 2.307 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1988055349 NIQWZWZUEFHPSN-IHRRRGAJSA-N 427.498 2.035 30 10 IEEE CC(C)(C#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)NC(=O)OC(C)(C)C 2023917772 NONSLGKCAIYPJL-HOTGVXAUSA-N 439.553 2.027 30 10 IEEE N#CC1CN(S(=O)(=O)Nc2cc(Br)ccc2I)C1 2046104666 TXFRYROLCNJUJF-UHFFFAOYSA-N 442.076 2.166 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2060634227 WWVRGRNYNIMSEI-UHFFFAOYSA-N 435.334 2.004 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754354 MEMLYBLTUOWVAY-IVZQSRNASA-N 435.374 2.280 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)co1 2124542198 ATTSISUXSXPIDE-UHFFFAOYSA-N 445.285 2.041 30 10 IEEE C=CCC1(C(=O)NCCc2nnc(Br)n2C)CN(C(=O)OC(C)(C)C)C1 2128781080 NFNHNUYHAPUUCL-UHFFFAOYSA-N 428.331 2.050 30 10 IEEE COc1cc(C#N)ccc1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164485993 DBZRCSAEESTZIY-HXUWFJFHSA-N 431.445 2.333 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnc2c1nc(Br)n2C 2180901971 VZBQALNGIJHMTQ-JTQLQIEISA-N 437.298 2.371 30 10 IEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224095581 DNUXRZIHDQPGQM-QGZVFWFLSA-N 433.358 2.453 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243389301 IEPMGJRIGNAXPX-NEPJUHHUSA-N 425.360 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247919131 PCUXALPYGNKDBK-JJLQDPRZSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255629863 BTJQGQZCIRVGBY-CQSZACIVSA-N 434.346 2.086 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828058 PEVOSCPKUAMPKM-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255832457 MMMMIDWPYHZKKP-KBPBESRZSA-N 434.346 2.227 30 10 IEEE COCC[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)NC(=O)OC(C)(C)C 2255846407 QCXAFGLWVYKDHI-AWEZNQCLSA-N 438.330 2.238 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)n1 2256402958 WXXJVKZNBZDDBQ-KHPPLWFESA-N 434.346 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256615383 UFKLSXBEAIWNNT-XJKSGUPXSA-N 433.314 2.002 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258955535 SBZVOYMEDJTVOS-SJORKVTESA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2259922836 PUFKGTLGHYPRLQ-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCCn2cc(Br)cn2)C1 2266491381 GIYNEHYZRHHGEX-UHFFFAOYSA-N 425.327 2.459 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267101638 ZJEYWYDKWVPOPT-JKSUJKDBSA-N 446.357 2.323 30 10 IEEE CCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2267124650 NOPNDPZDMSRGDR-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1cccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267227733 VGCWPEOOXISOHK-MRXNPFEDSA-N 448.369 2.252 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263540 HJDZABOQEIJABP-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493730 MNMYMLYULRHQHX-GJZGRUSLSA-N 448.373 2.155 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NCC2CCN(Cc3ccccc3)CC2)OC1(C)C 2267870891 JOPQXHBYJMKBPQ-UHFFFAOYSA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)[C@@H](N)C#Cc2cccc(Br)c2)C1 2278729358 CBUKRIDCYPLBDC-BBWFWOEESA-N 425.323 2.125 30 10 IEEE C#CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCCC1 2286055321 BNMMPJLZSRMDLC-SFHVURJKSA-N 436.530 2.100 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@@H]2CN(C)C[C@H]2NC(=O)OC(C)(C)C)n1 2315404228 SFWOLXGBXMHAAO-IAGOWNOFSA-N 433.358 2.275 30 10 IEEE C[C@@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2319290311 FIQFSONBLNUSDM-HNNXBMFYSA-N 446.334 2.045 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337201539 WHVLCLLLZKPDDP-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203049 RXLGASFMMJHIJC-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2339596368 ISAQMRXTPQNPKU-UHFFFAOYSA-N 447.385 2.069 30 10 IEEE Cc1ccnc(C(=O)N[C@H](CCO)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2343486797 OQZWWHLHUUJTOZ-LJQANCHMSA-N 440.349 2.387 30 10 IEEE COC(=O)c1ccccc1N/C(CN1CCOCC1)=N/S(=O)(=O)c1ccc(C)cc1 59948187 KWPXJMLRJXKUON-UHFFFAOYSA-N 431.514 2.313 30 10 IEEE N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1 70893633 DFCCMJYYHNFSIV-UHFFFAOYSA-N 425.876 2.214 30 10 IEEE C#CCn1c(=NC(=O)CS(=O)(=O)Cc2ccccc2)sc2c(OC)ccc(OC)c21 254743160 PMXYVNPHQZIXCB-UHFFFAOYSA-N 444.534 2.396 30 10 IEEE CC1=CCN(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 460230819 MTKGQZOJDLSXTR-UHFFFAOYSA-N 425.512 2.349 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 488944028 OHDLIWLTGYRAMY-UHFFFAOYSA-N 425.507 2.004 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 500449860 CXJVCYUBJDXJMM-UHFFFAOYSA-N 448.545 2.029 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 509010617 HKUKQXBMIPKWRH-INIZCTEOSA-N 441.623 2.053 30 10 IEEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccsc2)c1=O 524281340 RHSYLRGUSKSKCN-UHFFFAOYSA-N 429.611 2.431 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 527229270 OCGGJGMZPKTFBK-HXUWFJFHSA-N 436.516 2.036 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)Nc3cc(C#N)ccc3OCCOC)cn2)CC1 541495658 ZBMQMPASBHGUPK-UHFFFAOYSA-N 438.532 2.442 30 10 IEEE CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 546926795 RUIQGANRJMNTHV-UHFFFAOYSA-N 428.518 2.377 30 10 IEEE C=CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 557365908 PUVCKZVGTIMCCU-UHFFFAOYSA-N 432.546 2.308 30 10 IEEE CC(C)(C)OC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 581697550 PFFUJYITKAZECE-UHFFFAOYSA-N 429.498 2.108 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)NC3CCCCC3)cc21 586313365 JQCUQOFSDOGXMC-DHMKHTPVSA-N 432.542 2.367 30 10 IEEE CC(C)(C)c1nc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cs1 586864868 MEOGYZQBXINBJJ-UHFFFAOYSA-N 443.548 2.412 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c1 589455868 FYAKENCJGKKADI-SFHVURJKSA-N 431.539 2.305 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 684536268 SNHIVUJCAJXPDB-QGZVFWFLSA-N 431.517 2.292 30 10 IEEE C=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OC(F)(F)O2 730137056 BWJRZZGEFHQSRA-OAHLLOKOSA-N 440.472 2.194 30 10 IEEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@H](C#N)C1)C2=O 732648185 AFNBFCLTRHPXTF-BISSLNBESA-N 429.565 2.102 30 10 IEEE C#CCCNC(=O)C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 733672986 JQPJCHAMDVRMEN-UHFFFAOYSA-N 443.500 2.321 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)cc1 735275939 FSNIIESFRLCSNF-GOSISDBHSA-N 427.526 2.006 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1n[nH]c2ccc(I)cc12 745474571 CCYIDOSYYSKHAU-MRXNPFEDSA-N 440.241 2.379 30 10 IEEE COc1ccc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 747247623 DXBWZRJKBAGSGL-UHFFFAOYSA-N 448.476 2.049 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1C#N 747496876 SKLMTQGZHPECRY-UHFFFAOYSA-N 444.373 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 757587652 KULUSRWGKWQFSU-DXCKQFNASA-N 434.443 2.193 30 10 IEEE COc1ccc(CCn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccn(C)c3)c2=O)cc1 763437170 ZUAJXMVRQYDHHR-UHFFFAOYSA-N 447.560 2.372 30 10 IEEE C#CCN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774014590 AOSMEOXXMRXJKK-OAHLLOKOSA-N 445.463 2.196 30 10 IEEE C#CCN(C(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 774035109 FDBLBPSMXSMSML-LJQANCHMSA-N 444.557 2.164 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 779360485 DNIPDZCVKOHEAJ-UHFFFAOYSA-N 442.291 2.137 30 10 IEEE Cc1ccc(C)c(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c1 782617920 FVZXODKBQDGWOV-UHFFFAOYSA-N 440.326 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 783527094 WJGZXELMKWHIFW-IBGZPJMESA-N 428.533 2.421 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)c1 784124911 FQOZXTGLPKDMCG-IEBWSBKVSA-N 432.590 2.421 30 10 IEEE CC(=O)N(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 786315761 PHYSUEMKJQPKRK-HXUWFJFHSA-N 445.479 2.428 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccnc2C(N)=O)cc1 787104710 WPTONGMLDCZIHE-ULJHMMPZSA-N 429.502 2.026 30 10 IEEE COc1cc(CNC(=O)/C=C\C=C\C(=O)NCc2ccc(C#N)c(OC)c2)ccc1C#N 793271502 JMYLUFZFSVELLX-CIIODKQPSA-N 430.464 2.492 30 10 IEEE C[C@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 805788524 JMOBQIZJQZTPFT-DEYYWGMASA-N 448.449 2.460 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccc(F)cc1 812748556 URMBRNVHVRZFAG-UXHICEINSA-N 446.500 2.346 30 10 IEEE CCc1c(C(=O)OCC#Cc2cc(Cl)ccc2OC)cnc2c1c(=O)n(C)c(=O)n2C 815224186 PAUAKFRWDSBQEK-UHFFFAOYSA-N 441.871 2.065 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nn(C)cc1I 1125870664 LQBBBTGOEHOSBW-UHFFFAOYSA-N 437.285 2.100 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)CC1 1137371243 ISLNGKNGYGXNSE-UHFFFAOYSA-N 443.241 2.407 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)s1 1138092925 CKQXLUPOKOJGNR-UHFFFAOYSA-N 435.527 2.287 30 10 IEEE C#Cc1ccc(C(=O)N(CC)[C@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 1147558387 CRDINUJIOKYGIX-QGZVFWFLSA-N 428.533 2.383 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1152128516 LEBVVPCBSXFIAF-UHFFFAOYSA-N 433.461 2.464 30 10 IEEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C)C1CCN(C)CC1 1156647864 WWZTYAXNYPIYCK-UHFFFAOYSA-N 437.544 2.200 30 10 IEEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 1158280569 KLCGZKHJQSJDFO-JTDSTZFVSA-N 438.546 2.112 30 10 IEEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1167298552 SKBLTPUZXQCLFG-HXUWFJFHSA-N 435.528 2.171 30 10 IEEE C#C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)C1 1197219649 FQFMPMOUPRVMBT-IRXDYDNUSA-N 433.530 2.137 30 10 IEEE C=CCN(CCc1ccco1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1251436464 FPTHILAJQMCSRN-INIZCTEOSA-N 432.521 2.240 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)[C@H]1c1cccnc1 1276377284 SYYKXHGNNYEOBS-PKTZIBPZSA-N 427.464 2.480 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1286273292 DHTHFAOVEYGNFK-PGRDOPGGSA-N 446.573 2.251 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286346759 BNKXCDIFYDVVLL-PMACEKPBSA-N 437.592 2.313 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nc(C)cs1 1286376868 PABFHJJTKSBUMJ-HNNXBMFYSA-N 432.550 2.469 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1286424406 CATUHXABGHDCMF-UHFFFAOYSA-N 449.433 2.104 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)CCOC)CC1 1286474882 SUVCRRSOJYOXBH-QFIPXVFZSA-N 447.967 2.150 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1286508814 QNQFOFBSISUNHH-UHFFFAOYSA-N 442.564 2.233 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1286580742 BOICSJNAPDKNTJ-OAHLLOKOSA-N 437.591 2.074 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286603444 SSFJSUAYBIUSHK-QGZVFWFLSA-N 428.449 2.087 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1288311437 DFGHANKIQBPQRD-YADHBBJMSA-N 432.569 2.317 30 10 IEEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1288518160 SCPWZBCBDYCOMN-HZPDHXFCSA-N 448.531 2.253 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 1290377636 MTCMUMPFLLVFGS-MRXNPFEDSA-N 430.977 2.035 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)c1=O 1295950309 GOPIJLRDWVCZME-UHFFFAOYSA-N 448.527 2.167 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC[C@@H](C)C1 1297270046 BTKMXBNQOMXQNE-SJLPKXTDSA-N 426.569 2.491 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(F)c1 1298025078 ASGNZTIFMXQVJT-YZGWKJHDSA-N 428.512 2.343 30 10 IEEE CC(=O)N(C)c1ccc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1299659468 CXRDUAJUPFWFDB-KRWDZBQOSA-N 443.529 2.156 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)c1ccccc1 1299870066 WHTFFMCYYZMBCO-MOPGFXCFSA-N 432.929 2.364 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2cnn(C)c2)c1 1300332452 GKQLGRYJYIPFCR-UHFFFAOYSA-N 428.500 2.122 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488098 OOQGUFXUHMPJPY-RTBURBONSA-N 444.605 2.164 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300488934 XMUMIOPRMSAMFO-GOSISDBHSA-N 439.541 2.287 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@H](C)C1 1300743083 HEZPTVUFIXGDHL-MRXNPFEDSA-N 434.587 2.330 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1300765846 MYUBHJJTXDHTDG-INIZCTEOSA-N 433.528 2.034 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1300869616 NBLDXWCMTHIDRM-QUCCMNQESA-N 427.553 2.473 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)COCCO1 1301305582 HPKZBGXFCQLOBD-XMMPIXPASA-N 440.592 2.071 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301380294 BHXZFJGUFOTYSV-UHFFFAOYSA-N 427.509 2.207 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301458553 VGIZQOATWOVZEF-SFHVURJKSA-N 430.459 2.100 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)cc(F)cc2C1 1301478027 GWORWUKQLSUVMD-UHFFFAOYSA-N 446.502 2.340 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCOCC2)C1 1301567326 VFDGUASMXAVIHP-OAQYLSRUSA-N 439.560 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301578252 UNJFQVCPTCPJTM-ZWKOTPCHSA-N 446.573 2.417 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1301967431 DCTIUEXMCVNQLL-FGTMMUONSA-N 430.578 2.301 30 10 IEEE CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1302344706 BSFFCHSNQRKIFO-UHFFFAOYSA-N 445.568 2.444 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CCO2)cc1 1304193405 HSERCCWMFQSHNR-SFHVURJKSA-N 433.917 2.480 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1306245572 PXUAULNIQBFTMZ-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE Cc1ccc(I)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 1349457816 ZAWQTYMZPGRWIW-UHFFFAOYSA-N 437.241 2.283 30 10 IEEE Cc1cnc2nc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCCCN4C)cc3)nn2c1 1355382159 HTROGPLDZYSSCQ-UQQQWYQISA-N 441.517 2.278 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1358873978 QNPZLECAZUSXLJ-CYFREDJKSA-N 439.560 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1358885475 KXMSQRLVLSBALB-MRXNPFEDSA-N 449.559 2.295 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358936736 WLCKVROSFPWXAM-UTKZUKDTSA-N 430.509 2.001 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)C(C)C 1358996187 VTKIDEPIICPYBH-UHFFFAOYSA-N 431.544 2.142 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CCn3ccnc3C2)n1 1359027311 DVFIQUBHCXKTIM-IBGZPJMESA-N 436.564 2.343 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccccc2F)CC1 1359037715 UQZTVXUKWHUKBV-UHFFFAOYSA-N 438.551 2.335 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359094061 WQJYQUWGXSWFFO-XZYOPWHXSA-N 444.624 2.194 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359228676 KJJUJPHUIAUMKY-IBGZPJMESA-N 433.578 2.260 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359261741 UUXMAFZKYDAIOV-HNNXBMFYSA-N 437.591 2.105 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H]2C(C)C)C1 1359321635 JRBVZZKTPHNXLN-MKXGPGLRSA-N 438.594 2.023 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1ccnn1 1360760022 GKDVYKLFZSSDKA-CRAIPNDOSA-N 442.911 2.482 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 1444553249 XZSCNFORIRWZMO-UXPWSPDFSA-N 439.537 2.266 30 10 IEEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@]3(C#N)CCc4ccccc4C3)cc2)[nH]1 1447871093 YLRHSVWGPMBOKX-DEOSSOPVSA-N 430.464 2.062 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC 1452935497 HVCYMVGHWXLBOL-QGZVFWFLSA-N 434.558 2.350 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)c1 1454925908 WJUHTPWLDAHMFT-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2c[nH]nc2C[C@H](C)C1 1455675999 PDRPHBVENQLHJH-YOEHRIQHSA-N 429.546 2.228 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 1461393619 ZQVWVHBVVWITIC-UHFFFAOYSA-N 438.546 2.143 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(C)C 1464867122 ACZLTUBZMCVSAW-RBUKOAKNSA-N 436.597 2.269 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3cc(Br)n(C)n3)c(C#N)c2N)cc1 1465599974 OCYLVZCWSNTGIC-UHFFFAOYSA-N 442.321 2.493 30 10 IEEE C#C[C@@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1467633826 QEGDADUHYPQMDA-QGZVFWFLSA-N 436.331 2.313 30 10 IEEE CN(C)CCSc1nc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 1467708602 YVCUGSFOUXGTRQ-GOSISDBHSA-N 443.598 2.128 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)NCC2(C#N)CCOCC2)c(F)cc1Br 1475778824 FDHFMWGOMDYGGH-UHFFFAOYSA-N 449.298 2.364 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1492721520 AZCVWYYBWZKMLV-INIZCTEOSA-N 448.579 2.447 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1)C(C)C 1501550018 DMPDGQCKDRNIDW-UHFFFAOYSA-N 443.533 2.159 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1504215708 HBTCXKAKLSVUND-WMZOPIPTSA-N 431.562 2.102 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1CCC(OC)CC1 1504995402 QPSKBDNOUPKCJM-QXWDQEIOSA-N 446.596 2.384 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1507539238 STMUCLYKOVORSY-HBFSDRIKSA-N 445.589 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1507673754 ZYOMXYPTBZUBOJ-VWLOTQADSA-N 442.523 2.203 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1508057962 QFIDRDMRSVOMNP-GOSISDBHSA-N 426.496 2.087 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1508090945 QFVFZSHCIDHDGQ-SJORKVTESA-N 445.568 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3ccnc3)c2)C1 1508111431 YEBXXESXQLANOP-OAQYLSRUSA-N 449.559 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(C)(C)C)CC1 1508140748 JTSDIOHOJJHQDJ-GOSISDBHSA-N 439.626 2.084 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508162292 MWMIUMUTSLIODX-AZUAARDMSA-N 428.606 2.340 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C(N)=O)cc2)CCOC1 1508413783 VWJIBWIYCDVSCZ-OPAMFIHVSA-N 426.521 2.062 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](F)COC)c2ccccc2c1=O 1515949664 RWQWTTWBWXASIT-SPLOXXLWSA-N 443.458 2.101 30 10 IEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCCC1 1517946756 DLUZBNSZTXCNAD-UHFFFAOYSA-N 438.532 2.390 30 10 IEEE COC1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1518561149 BCXHRIUMPYNFSW-XBMUEBEBSA-N 438.532 2.246 30 10 IEEE COCc1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1518812571 GRALKDJLPJLDCL-NZQKXSOJSA-N 441.532 2.242 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1521062493 DXDIPKNVGRXBAZ-XLIONFOSSA-N 435.500 2.417 30 10 IEEE COC(=O)c1ccc(N2CCN(C(=O)CCc3c(C)nc(O)c(C#N)c3C)CC2)s1 1524708524 CBOZBFPIKVGEGO-UHFFFAOYSA-N 428.514 2.405 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2ccc(-n3cnnc3)cc2)c1 1525781798 YLAKIWBDGASGLW-QQTULTPQSA-N 438.513 2.261 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCCc3nc(C#N)ccc32)c1 1530913890 NGJYUVVUQORISK-UHFFFAOYSA-N 439.541 2.397 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC4(CCC4)C3)CC2)c1C#N 1537402798 DSCMYYVWSMRHMF-UHFFFAOYSA-N 442.564 2.476 30 10 IEEE CN(CC(=O)NC(C)(C)Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1538331205 RDFBYABOPVFTOC-UHFFFAOYSA-N 430.486 2.224 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1539013958 OTBCPMQIFOGWES-NVXWUHKLSA-N 431.491 2.334 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(S(C)(=O)=O)CC2)c1 1539042004 BCCCPQFDFJPHAN-UHFFFAOYSA-N 443.573 2.110 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1539095676 JCXBUARQGDDDIH-LJQANCHMSA-N 427.553 2.149 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCO[C@H]1C 1539251039 XCZDFRDCMPEWBV-XOBRGWDASA-N 447.308 2.459 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCc1ccco1 1539258583 YHQQATAYWAETKW-UHFFFAOYSA-N 439.479 2.113 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)CC)CC1 1539429741 CGLBDQSBVMLKHT-FQEVSTJZSA-N 438.576 2.268 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2ccncc2)CC1 1539462282 RLBRFOJYPMBPCP-UHFFFAOYSA-N 432.528 2.259 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539533573 RVXJKZFJEAEDLP-LEWJYISDSA-N 441.601 2.352 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1I 1540550688 XOAYDIKDJBMTGG-AWEZNQCLSA-N 435.269 2.345 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCOC2)C1 1540882733 NQFCMKIRAOUJLP-CVDCTZTESA-N 441.532 2.080 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1540901521 GLEFFQCPMXQLHU-QGZVFWFLSA-N 444.536 2.412 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)s1 1542493694 RXFIZULLLVSCDI-UHFFFAOYSA-N 440.978 2.152 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1 1542815659 VDKHYLPURQCQLK-UHFFFAOYSA-N 440.504 2.230 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1542828264 KQJGRIRYTXJULY-PZJWPPBQSA-N 433.430 2.408 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 1543905617 UZPOUOUQQHBIOL-UHFFFAOYSA-N 439.468 2.263 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1544084929 JBCKWVHICBPASC-UHFFFAOYSA-N 449.573 2.204 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1547080428 LSDVURIGYVMGME-AZUAARDMSA-N 438.532 2.260 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367796 OJROCLJXAAYYSP-SFHVURJKSA-N 431.418 2.358 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccc2c(c1)OCO2 1555636555 KLJJKZHHADBJBZ-BTYIYWSLSA-N 447.467 2.252 30 10 IEEE Cc1ccc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)cc1S(=O)(=O)NCC#N 1557093440 LTBNVHUFEXDNCY-WBVHZDCISA-N 435.546 2.379 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cc[nH]n1 1557179134 SGWWCZFXPUUSGR-HUUCEWRRSA-N 438.488 2.412 30 10 IEEE C#Cc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)c1 1558995321 HJRWOGBMDYKANE-UHFFFAOYSA-N 447.476 2.381 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)c(Br)cc2OC)CC1 1585000253 TZBWWRFQNJNQIV-UHFFFAOYSA-N 442.741 2.008 30 10 IEEE CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1585396797 RJULKPPVYHHIJW-UHFFFAOYSA-N 427.530 2.165 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CC4(CCOCC4)CO3)C2)C1 1587520856 UPVWPMKWCMVFAT-VQFNIZELSA-N 433.549 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)C)C1 1587970328 TXAQWZWEJFHHSN-SFHVURJKSA-N 443.621 2.428 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1OCC[C@H]1C 1588228918 NDNFWBJLRCCRQH-TZIWHRDSSA-N 433.560 2.340 30 10 IEEE N#Cc1cnc(C(=O)N2CCC[C@H](n3nncc3I)C2)c(Cl)c1 1588405146 XNZLVAJEHWXJEG-JTQLQIEISA-N 442.648 2.280 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2oc(CCC)nc2C)CC1 1588969161 WCAJPKFRGNPDCA-GOSISDBHSA-N 440.548 2.393 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1589171333 BFTBBQLTQVFZAK-WAIKUNEKSA-N 439.516 2.242 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1589581984 XRNDWPQZRRBHIR-RBUKOAKNSA-N 446.596 2.131 30 10 IEEE N#Cc1cn(CCC(=O)NC2(c3cc(Cl)cc(Br)c3)CC2)c(=O)nc1O 1589584425 KXVXDKDAUNAQPK-UHFFFAOYSA-N 437.681 2.432 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1593729232 IYWVDUPOSFRIBY-KRWDZBQOSA-N 433.520 2.243 30 10 IEEE C=C(C)COCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1593769490 OGSJCQGBYUTZMO-FIKGOQFSSA-N 436.509 2.026 30 10 IEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1594608463 MKSFNSFSVQWBED-UHFFFAOYSA-N 444.536 2.094 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1595141796 LHNYFIXXRRJGTG-SFHVURJKSA-N 444.605 2.489 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(C)CN(C)C2=O)C1 1595754142 LQCWVOWRNAPXTA-JFNLIGNMSA-N 431.581 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](OC)C1 1595831184 NDPYWUWKDYYJOQ-GVDBMIGSSA-N 426.583 2.023 30 10 IEEE CN(C)CCn1nccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1596611125 GXMHEWHVXWLUOZ-HIXSDJFHSA-N 446.577 2.290 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)n1 1612373859 FBWJHINGPNVXFZ-UHFFFAOYSA-N 428.543 2.111 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1615918837 RBKIVHZDWVDVCR-HOIFWPIMSA-N 432.569 2.294 30 10 IEEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@H]3[C@@H](n4nnnc4Oc4ccccc4)CO[C@@H]32)c1 1616130015 OULLCENZENUZRB-HCXYKTFWSA-N 449.496 2.031 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1617379807 YEZOWAUUMVDZQW-ROUUACIJSA-N 444.561 2.047 30 10 IEEE Cc1nsc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)n1 1617397093 RJVXQPONFNXRNA-TZQQIIETSA-N 446.577 2.282 30 10 IEEE COC(=O)[C@@]1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 1620432469 DNNXKFRTLUJHKC-XMMPIXPASA-N 436.512 2.430 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)n1 1626594643 JVTBPBSKNBRHND-SSEXGKCCSA-N 430.534 2.285 30 10 IEEE CC(C)(O)CN1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1627476861 NEJKIAGVASCIRZ-FQEVSTJZSA-N 442.560 2.308 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)cc1 1630217102 SEYYXWIUZKAOGD-UHFFFAOYSA-N 442.475 2.136 30 10 IEEE N#Cc1ccc(C2(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CCOCC2)cc1 1631992656 JZSSBUYHGROVNR-UHFFFAOYSA-N 432.480 2.446 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1634460770 NFRSOSFOOYEBEW-UHFFFAOYSA-N 449.577 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC[S@](=O)CC(F)(F)F)C2)C1 1640357897 YDNKTWPOEVNBEY-SVDQTRAMSA-N 437.484 2.200 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(OCc4nn[nH]n4)cc3)ccc2c1=O 1641294317 FZBISFYIOWUEKB-UHFFFAOYSA-N 435.469 2.216 30 10 IEEE Cc1csc(NCCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1642287846 SZTVFKXMMJYIKE-OAHLLOKOSA-N 435.575 2.133 30 10 IEEE C#CCN(C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CSC1 1645208615 CVFXKSTVSHPSQX-UHFFFAOYSA-N 426.869 2.214 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C2(CC2)C1 1648022621 FSHHWZGLVDIGBZ-INIZCTEOSA-N 437.493 2.252 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)C3CCCCC3)C2)nc1 1652331756 GUGVFEITUFDZIB-CTNGQTDRSA-N 449.559 2.387 30 10 IEEE N=C1NC(=O)[C@H](CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)S1 1653039793 VBLTVHPSDZTDGI-PBXRRBTRSA-N 425.301 2.172 30 10 IEEE C=CC[C@@H]1CCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1665578611 DNCFCPQRIBKONG-QGZVFWFLSA-N 434.562 2.490 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1684360234 DBJGDUIXJZBVFH-PKTZIBPZSA-N 447.587 2.355 30 10 IEEE C=C1CCC(CNC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 1685166633 SPBLDEDMXQHVDX-HXUWFJFHSA-N 428.581 2.298 30 10 IEEE C#CCN(C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1685431411 UARFJCXEJONNMX-QXAKKESOSA-N 447.557 2.009 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NC(C)(C)c3cccc(C#N)c3)CC2=O)C1 1685637240 FDYPBPBSPAMUTK-KRWDZBQOSA-N 441.532 2.313 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nncn1C 1690035531 BQSUVBIEYKWNNX-UHFFFAOYSA-N 442.296 2.486 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C 1690102442 LAAACXGCZCKTHZ-RTBURBONSA-N 448.612 2.429 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N(C)C2CC2)CC1 1690113882 XDCPIJCFCIOPCI-HNNXBMFYSA-N 446.397 2.274 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)=O)CC1 1690313116 LKDGTHLYNGIEKQ-NRFANRHFSA-N 441.532 2.488 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCC2)C1 1690663272 RDKABRAAWCKICM-UHFFFAOYSA-N 429.546 2.031 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cs1 1693352406 KZSBUPXHFQGNRG-WIYYLYMNSA-N 447.584 2.433 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1693876115 HHXPGHVWOWXOFY-UVFQYZLESA-N 449.964 2.492 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695611513 IXUOAMSXIUMRIQ-HOTGVXAUSA-N 425.537 2.047 30 10 IEEE CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1696690808 CXAYUUBDKVKRQT-UHFFFAOYSA-N 449.496 2.288 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1696763120 GJZLGQCULWCZAI-QGZVFWFLSA-N 429.546 2.114 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1697703541 LLPPSGOGPLHJBL-OALUTQOASA-N 439.564 2.220 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@](F)(C#N)C1 1698303949 CHYXLGLNWWWUSY-FQEVSTJZSA-N 444.492 2.477 30 10 IEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC#C)CC1 1705520638 APKBWPBDDDMWAA-UHFFFAOYSA-N 444.539 2.498 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)c1c(C)noc1C 1705576753 PBNJKWRYCVEKRE-INIZCTEOSA-N 441.499 2.402 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)COC 1705580896 SGLLCRSMRWEZJI-SFHVURJKSA-N 432.528 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)N1CCOCC1 1705600531 CALAWHVWOYXTRK-NRFANRHFSA-N 435.572 2.256 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2OCC[C@H]2C)n1 1705632262 YJIDIIJINBWGRP-MISYRCLQSA-N 428.537 2.037 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccc(C)cc2)CC1 1705638607 QIWYBXDWZBWSAR-FQEVSTJZSA-N 438.601 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCOc2ncccc2F)CC1 1705644282 KYNFXFKRDSCHFN-UHFFFAOYSA-N 428.512 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)CC1 1705646351 WZUYKTXZDISQQS-UHFFFAOYSA-N 433.560 2.123 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCS1(=O)=O 1705712743 FPJVIVDUCJWZAM-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705761467 NSGOKIIKJISENW-UHFFFAOYSA-N 438.580 2.108 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1705887111 OLNHRSXZCSZAGL-XKGZKEIXSA-N 430.578 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1705899236 LZFZQNZCCGXJCL-UHFFFAOYSA-N 447.465 2.193 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@H]1C 1705946791 QXMPFVDGGBXMOT-BBWFWOEESA-N 443.639 2.155 30 10 IEEE CC(C)=CCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706207338 AJRQBKIQOMOCSW-QGZVFWFLSA-N 430.520 2.468 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCOc2ncccc2F)c1 1712878074 DLLFHEICVSWVTR-QGZVFWFLSA-N 435.463 2.132 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C1CC1 1722279784 QQFGVHFCTFKENA-QKKBWIMNSA-N 430.578 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1722294082 UUJYEIAQSAYTER-SWLSCSKDSA-N 449.296 2.340 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1722295286 SHGQHTBRCSUBMQ-IAGOWNOFSA-N 428.541 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1722369925 CQWIQYHVROFQNX-SBUREZEXSA-N 439.947 2.485 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCn1c(C)nc2ccccc21 1722374265 SGQYNYPVCGFVNV-DEOSSOPVSA-N 432.528 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722380061 VIIVITGNPKRUAV-QGZVFWFLSA-N 437.525 2.046 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1722380979 DNDLLTJKRLKUCT-MRXNPFEDSA-N 442.310 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1CC 1722396658 CIEBOWHIQGHPJZ-UHFFFAOYSA-N 447.543 2.375 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722401895 CSRMRHWDVBZITM-BBWFWOEESA-N 425.599 2.189 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCCNC(C)=O 1722421097 OWMCZMGWYXKHSX-UHFFFAOYSA-N 440.367 2.381 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(COC)CCOCC2)C1 1722720458 CNGSZDQRQUJCTP-FQEVSTJZSA-N 427.549 2.488 30 10 IEEE CCN(CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1)CCC(F)(F)F 1728506410 FGGZSLNRERZIOK-QGZVFWFLSA-N 428.438 2.395 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1730868209 HYYVWBVNHJNIDO-BOCKYXSRSA-N 446.596 2.120 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCOC2)c1 1740562559 OTDAZZHJRNBVGO-HSZRJFAPSA-N 435.484 2.054 30 10 IEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740594725 WAROUMKBCLJTGE-UHFFFAOYSA-N 445.589 2.173 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1cn2ccccc2n1 1740659468 ZOQYRYOATHIWSK-UHFFFAOYSA-N 426.528 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 1740661003 MGEBLNMEDHEPOL-HXUWFJFHSA-N 426.542 2.239 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC1(O)CC(OCC)C1 1740676592 HWUBAWPYDUGALW-TWEIKEKHSA-N 428.508 2.491 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nnc(C)s2)CC1 1740693169 WELMJNXBXGZRAM-UHFFFAOYSA-N 428.953 2.151 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740790835 YBFNZKTWGAZNDJ-KRWDZBQOSA-N 441.532 2.366 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740791203 XTHPTENVAZRVJN-KRWDZBQOSA-N 426.521 2.102 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1740899068 FJWGLBJRZCHDOG-INIZCTEOSA-N 449.543 2.467 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C1 1740972874 NXLNRQHYEQSDCT-UGKGYDQZSA-N 430.553 2.305 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741983663 DBZPZXOJLOFUDO-VQTJNVASSA-N 449.964 2.278 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2ccccc2F)n1 1742678044 CUGGIDSETWKTIY-OAHLLOKOSA-N 438.511 2.305 30 10 IEEE CCCN(CC)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1745601994 QXDKGQUQIDISAV-HNENSFHCSA-N 429.550 2.397 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)C1=O 1748046865 GELQYAUCHXSUOO-WMZHIEFXSA-N 438.532 2.212 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748812678 ZAKPEWJMTUGLOU-BJLQDIEVSA-N 443.573 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(N(C)C)CCOCC1 1748841303 XXRVROLAFKIBPY-UHFFFAOYSA-N 443.555 2.314 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc(S(C)(=O)=O)cc1 1748964726 IGCHHJHPSJBBAL-UHFFFAOYSA-N 444.582 2.468 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749657567 AWYKPSLJMRUGGQ-MRXNPFEDSA-N 442.951 2.396 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC(C)C)C1 1749713553 USKWSAKASOJDGB-WAOWUJCRSA-N 440.610 2.149 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(C)CC2)CC1 1750908033 NDUAZGUJITZIEK-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccccc2F)n1 1760253094 VNNKWFNXUFSTFH-UHFFFAOYSA-N 448.506 2.349 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1760282049 VCLYGOJPQQGJHJ-SFHVURJKSA-N 429.571 2.055 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760283279 IJBNIWAPHJPDPF-UHFFFAOYSA-N 444.630 2.449 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1760299036 FCPUVACYFYHKFW-JJEOQYAHSA-N 445.564 2.494 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760334429 AAADIQGRMSNZIJ-IEBWSBKVSA-N 439.564 2.300 30 10 IEEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760431797 BMINJBUKYUAUAM-FQEVSTJZSA-N 449.563 2.122 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCCC[C@H]2C1 1760526334 LCXRJVUWJTYHKI-FQEVSTJZSA-N 438.576 2.451 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760526691 FQZOPMWIKOHWGC-SFHVURJKSA-N 427.553 2.464 30 10 IEEE CCN(CC(C)C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1766541104 XJVWPMQIHQZHPQ-QZQOTICOSA-N 440.552 2.148 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CCC[C@](C)(C#N)C1 1766847974 IDWFCXIMVHZHIT-WMZHIEFXSA-N 427.597 2.303 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C#N)o2)CC1 1767215221 KLWHGUFLGYTQJJ-UHFFFAOYSA-N 433.516 2.025 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1768587487 BSYNLZKPCMSHHK-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1769198900 FFTQUEGRHUMXEY-CVEARBPZSA-N 434.566 2.216 30 10 IEEE COC[C@H](F)Cn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769282574 MGICYSAWLLFERF-QGZVFWFLSA-N 430.532 2.160 30 10 IEEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(C(C)C)no2)cn1)[C@H]1CCN(C)C1=O 1850380215 TYROOOMUBGLNQM-KRWDZBQOSA-N 435.488 2.300 30 10 IEEE CC(C)Cn1nccc1[C@@H]1C[C@@H]1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851986500 BXRDJEZTXSRKPV-MOPGFXCFSA-N 432.532 2.171 30 10 IEEE C[C@@H]1CCc2nn3ccnc(N4CCN(C(=O)COc5ccccc5C#N)CC4)c3c2C1 1851989896 GQXOZZFHPKSYJB-QGZVFWFLSA-N 430.512 2.453 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCC(=O)N(C4CC4)[C@H]3c3ccccc3)CC2)n1 1853232587 FCROCFPQJJTTQD-UNMCSNQZSA-N 430.512 2.139 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2c(F)cccc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854646195 WCRUHAVZUYQNAR-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1 1861540355 YNVUIBDGHVSVOH-MOPGFXCFSA-N 439.578 2.110 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(O)c(O)c1 1862569989 ZTKREGZNFRUXHZ-LJQANCHMSA-N 429.425 2.340 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccnc1 1874273862 HUWPOGUQLXDMIH-UPVZUOOXSA-N 443.577 2.288 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc3c(c2)OCCO3)CC1=O 1874279446 BMBCFLNNUBXAPJ-HJGVYBFFSA-N 445.545 2.130 30 10 IEEE C=CCC1(NC(=O)[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1910948752 CTZYRNQRNQRHLF-HZPDHXFCSA-N 439.553 2.286 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)CCN1Cc1ccccc1 1914739482 TWXUTZYAIWCLNY-RCZVLFRGSA-N 447.539 2.135 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2010029960 WFYQQXAKOGBKML-FDDCHVKYSA-N 429.517 2.139 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2010225454 ONWIKDXKTLCKKP-IKGGRYGDSA-N 439.553 2.027 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOC1 2010538312 DOEGLEQSJBUWLS-CVDCTZTESA-N 428.533 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2070037880 TYZGJQVEZXENGW-QFIPXVFZSA-N 436.358 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1CO 2224092696 IUKMQYCSYSGPAA-RDJZCZTQSA-N 433.358 2.093 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 2237390510 KJTXRHJAIPUXPA-NSHDSACASA-N 427.114 2.273 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)ON3C(=O)c4ccccc4C3=O)C2)CC1 2241863639 JAXCXFHAZQBNPU-UHFFFAOYSA-N 429.473 2.072 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255377269 MGILGYZDJFYMSO-QFIPXVFZSA-N 433.358 2.237 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 2255623312 LNZVRZJOPUKJTI-ZIAGYGMSSA-N 436.362 2.234 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2255628718 LVPNTMCPHQBWTI-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2256034245 HTOBTKFYNSZERT-MLGOLLRUSA-N 427.276 2.461 30 10 IEEE CC[C@@H](CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256059465 LCASNQHFPZCFKR-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE C[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256623628 GFWBZYOZYIIPKR-PBHICJAKSA-N 434.342 2.049 30 10 IEEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256677250 CDVZTEDSDGRNDM-CZUORRHYSA-N 435.330 2.248 30 10 IEEE COC(=O)[C@@]1(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2266721601 AOADFJQDARIQHW-JOCHJYFZSA-N 448.325 2.312 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130907 UTSZHTNKUWGCMM-LJQANCHMSA-N 438.381 2.361 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2267263956 LRHMMKITULXCOH-IBGZPJMESA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267517959 ATPGLQLRTKKZMX-KKUMJFAQSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268652016 ZMBLKKRXYNIXOK-HOTGVXAUSA-N 447.341 2.080 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CO1 2268654706 CPZWLWCWWLFXAG-CABCVRRESA-N 447.341 2.344 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)O 2319257943 GHRPLPUSOREHKH-HNNXBMFYSA-N 427.310 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2326103118 JYWZLJIQBNLYDR-IRROGDNISA-N 440.544 2.407 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2cccc(OC)c2)cc1 2330454646 UOHQNGOMKSIWIZ-UHFFFAOYSA-N 443.525 2.241 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1C 2337329453 CFSANRSDYUVEFL-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2352401995 QWDFFYXLBOHOJT-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE CCc1nc(CC#N)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1cccc(C)c1 6833024 AJEOLHCCIBWKCD-UHFFFAOYSA-N 427.574 2.476 30 10 IEEE N#Cc1ccsc1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9362641 PXCROWBSRDINJH-UHFFFAOYSA-N 433.511 2.202 30 10 IEEE COC(=O)c1sccc1S(=O)(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1 96352652 HLEOXEADCJETOF-UHFFFAOYSA-N 432.523 2.382 30 10 IEEE COCCN(CC/C(N)=N/O)C(=O)c1cc(Br)sc1Br 234646342 FXPHNNSWRKZBTQ-UHFFFAOYSA-N 429.134 2.498 30 10 IEEE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1ccc(C#N)cc1 248227680 JTNJGJCSZCKMEQ-UGCAPWQASA-N 447.491 2.376 30 10 IEEE N#Cc1cccnc1N1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 301149808 COZNHWLPTNNVRH-UHFFFAOYSA-N 437.847 2.387 30 10 IEEE CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 409518587 NHENNDITELQRBQ-NJAPINKUSA-N 430.933 2.455 30 10 IEEE N#Cc1c(CCCNc2ccc(C(=O)NC3CCCC3)nn2)nn(-c2ccc(F)cc2)c1N 432133294 LESUVGSTQOJYGG-UHFFFAOYSA-N 448.506 2.972 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 468346579 OMHURFBIMCCZLQ-UHFFFAOYSA-N 426.498 2.430 30 10 IEEE COc1cccc(-c2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)n(C)n2)c1 477087396 WYTRJBSOBZTWCF-CQSZACIVSA-N 439.497 2.273 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl 486636719 FYNGKFMPHHGIKU-SFHVURJKSA-N 447.900 2.078 30 10 IEEE COc1cccc(N2C[C@H](NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC2=O)c1 510325167 UCQYDSZOJCXANC-HXUWFJFHSA-N 433.512 2.200 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CC1 517939790 QOSPEFPLOYCRDZ-HSZRJFAPSA-N 448.567 2.303 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2sccc2OC(F)F)CC1 519097642 UTXYPBGGNRHKTM-UHFFFAOYSA-N 427.454 2.368 30 10 IEEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 523305562 CZSHYFJDKAMMBA-GOSISDBHSA-N 438.549 2.360 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)cc1 534602479 FIJABIYKMTXPJT-LJQANCHMSA-N 438.549 2.360 30 10 IEEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)NCc2ccc(C#N)c(OC)c2)C1=O 555168540 SDQLQHDAVNQXQX-HNNXBMFYSA-N 428.470 2.020 30 10 IEEE C=CCOc1ccc(NCC(=O)c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1-n1cnnn1 586322499 IDTVWXXBZDNTLH-AWEZNQCLSA-N 434.456 2.266 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c(F)c1 586860216 XILQWJUNRBGVFY-HNNXBMFYSA-N 445.292 2.471 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c(F)c1 586862721 AMKSMIBDXJSMOW-OAHLLOKOSA-N 432.402 2.310 30 10 IEEE CCn1nc2c(cc1=O)CN(C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 615859511 KKAWWPLUOYKWRX-UHFFFAOYSA-N 434.500 2.436 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669807064 CNPOPEZWJCIUGY-INIZCTEOSA-N 430.896 2.169 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 670150619 ZDDCBUVAJWVYQI-UHFFFAOYSA-N 430.530 2.077 30 10 IEEE CN1CCN(C(=O)c2cc(I)ccc2Br)[C@@H](C#N)C1 690105517 HTLCVZDVFSDJTR-JTQLQIEISA-N 434.075 2.333 30 10 IEEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(F)(F)F)c1 730141054 MGNJWDIPXJJRSZ-OAHLLOKOSA-N 446.495 2.351 30 10 IEEE COc1cc(/C=C/C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc2c1OCCO2 739432807 XAINFCUJXOGFDE-AATRIKPKSA-N 445.493 2.383 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 747855002 GCJBSKKHKSRSLM-UHFFFAOYSA-N 446.960 2.420 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)c1cccc(C#N)c1 751674043 BXYJUPNPYIYGBB-INIZCTEOSA-N 442.229 2.368 30 10 IEEE Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 754491510 YWFBMEZGORDYPG-KRWDZBQOSA-N 427.505 2.479 30 10 IEEE COC(=O)c1ccc(NN=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c(OC)c1 756897543 CKOWACNEJKEERC-CYBMUJFWSA-N 440.909 2.446 30 10 IEEE C#Cc1cccc(N(C)S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)c1 761476145 MYPFZFRHVHCBQW-UHFFFAOYSA-N 430.454 2.466 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 763884571 SSEZWSLPKQEUOG-UHFFFAOYSA-N 443.525 2.357 30 10 IEEE COc1ccc(S(=O)(=O)Nc2cccc(OCC#N)c2)c(NS(=O)(=O)C(F)F)c1 769628228 OKLPSUQSVJEPKP-UHFFFAOYSA-N 447.441 2.363 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CCN1C1CC1 769649981 AROWZSBXSYTUIY-OAQYLSRUSA-N 446.573 2.037 30 10 IEEE COc1cccc2[nH]cc(CCNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c12 778496370 WWVSQBWZSHXAAN-UHFFFAOYSA-N 440.525 2.354 30 10 IEEE COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783823269 KVORCNMDLFZBCL-ZDUSSCGKSA-N 449.330 2.320 30 10 IEEE CCCC(C)(C)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 787083854 MLERFGVKYLBMOA-UHFFFAOYSA-N 435.546 2.151 30 10 IEEE CCCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794581116 PSBJWQDAEBCCQI-UHFFFAOYSA-N 435.553 2.409 30 10 IEEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1c(F)cccc1Cl 795327914 LZTIYJYVNXIFBE-QGZVFWFLSA-N 440.836 2.087 30 10 IEEE C=CC[C@]1(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 802288773 WOHGWXOLAWDJHV-OAQYLSRUSA-N 441.594 2.359 30 10 IEEE CC(=O)NC[C@H]1CCn2ncc(C(=O)O[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)c2C1 803835998 AJOUCYSHPPWPRM-UDCJOXCSSA-N 443.548 2.058 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812385617 YWLMPHAMWAPCRA-RBUKOAKNSA-N 443.548 2.086 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813745780 LTUIHBRGTOPCCF-LSTHTHJFSA-N 434.562 2.350 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](CC#N)c3ccccc3)CC2)c([N+](=O)[O-])c1 1125048590 SLSCYZZJBHWTQY-GOSISDBHSA-N 442.497 2.344 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1 1125202095 CKDSWGZGHHNLDH-SMKFHGBISA-N 427.486 2.026 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCn3ncc(I)c32)cc1 1128895311 DVBNVGWFMXOKKW-OAHLLOKOSA-N 433.253 2.375 30 10 IEEE COC(=O)Cn1ccc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)n1 1143679358 MBXOCGKVXXPDBX-IBGZPJMESA-N 439.472 2.401 30 10 IEEE Cc1cc2c(cc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)sc(=O)n2C 1146833863 VKAYYCPAOSEKGZ-LBPRGKRZSA-N 444.538 2.364 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1150569173 ZSTIBUJDDRDOPF-MSOLQXFVSA-N 438.956 2.435 30 10 IEEE C#CCN(C(=O)c1cc(S(C)(=O)=O)ccc1N)C1CCN(C(=O)OC(C)(C)C)CC1 1155367077 MGMBIXCAUNRIDS-UHFFFAOYSA-N 435.546 2.147 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 1163677785 MUMSWJKABXBHNR-GFCCVEGCSA-N 437.424 2.205 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1 1166427791 MGUVXHKPCNQKCZ-UHFFFAOYSA-N 425.441 2.402 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@H](O)c4cccc(C#N)c4)C3)[C@@H]2C1 1175639347 WWYMTGBJCKLCAR-ZRNYENFQSA-N 442.516 2.106 30 10 IEEE Cc1ccc(NC(=O)CN2CCc3c(CC#N)cccc3C2)cc1S(=O)(=O)N(C)C 1196622133 CWNHPCXYGYMUIG-UHFFFAOYSA-N 426.542 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)c1occc1C 1286273005 CWZZGVGVWZIELA-HTAPYJJXSA-N 429.521 2.110 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1286350252 XZHIHDOHQUWGNH-VQTJNVASSA-N 443.573 2.148 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286389272 HBJPJNQFAARCEW-IBGZPJMESA-N 446.621 2.409 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C1CCCCC1 1286440716 JBPMHJPPMCTACT-UHFFFAOYSA-N 447.547 2.171 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)N(C)C)CC1 1286473934 WFBXJEKGYAJSCM-INIZCTEOSA-N 431.382 2.413 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1286639111 XUYZYLCHEKKILP-OFNKIYASSA-N 432.613 2.113 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1286807134 KJXXKZGWQWIISW-AEFFLSMTSA-N 434.537 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1286816026 DVLCUGMSLKVHNT-INIZCTEOSA-N 429.546 2.421 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298595252 FKWUFOIBFUSONO-SXXBIRCQSA-N 442.442 2.087 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(=O)(=O)CC 1300290086 LXJYHKCZIKQFRL-INIZCTEOSA-N 426.546 2.281 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@H](C)C1 1300471946 UCXMBRRGYAQJJR-QHCPKHFHSA-N 449.647 2.444 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)noc1C 1300536211 SLLMZGVXTAXHIO-UHFFFAOYSA-N 430.516 2.178 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1300672123 WESAXFAWRQSQJU-NRFANRHFSA-N 439.560 2.061 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1300767140 RYTJSVMXHVHALB-NHCUHLMSSA-N 440.617 2.177 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1300829815 BCLZZIQBUORDEV-ARFHVFGLSA-N 445.358 2.295 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300883930 GCRJQGXJOKAACB-TZIWHRDSSA-N 430.597 2.127 30 10 IEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301245916 JSKGZAGAOSXSKW-IBGZPJMESA-N 436.516 2.037 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301251745 HRAIFHNVECBSKS-QGZVFWFLSA-N 428.541 2.060 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1302204060 CEYFCTQJLCBITN-KRWDZBQOSA-N 448.531 2.369 30 10 IEEE CC1(C)C[C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 1304235195 PGEBGHQTVQTRLY-OAHLLOKOSA-N 446.529 2.495 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCN3CCCC[C@@H]3C)CC2)c1C#N 1304730511 GJYYUKAFUNHMIF-SFHVURJKSA-N 439.612 2.481 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)n1 1304743828 PHAIJTLUICUURI-QHCPKHFHSA-N 435.532 2.453 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 1306378784 LYGNAYHAAJKPNV-QFIPXVFZSA-N 438.569 2.307 30 10 IEEE CCN(CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1313819693 GGDJLFJMSSEZKZ-FQEVSTJZSA-N 426.521 2.079 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1=O 1314929764 APXXZNMCGYWLHI-GOSISDBHSA-N 426.546 2.293 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CC1=O 1316123255 ULACIVJZOASVHQ-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1358904876 NKHBMCGLTSCGOE-LPHOPBHVSA-N 449.552 2.409 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(F)(F)CO1 1358940172 PXSDTWFHPZBNEG-CQSZACIVSA-N 438.504 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1358990948 IHMLFZJYWPJAJY-UHFFFAOYSA-N 435.553 2.339 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(CC)C1 1359025302 JWEIXXPRONBOAE-GHTZIAJQSA-N 425.533 2.218 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)CC1 1359032699 ZDIAIYFQIXFBCD-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](COC)C1 1359059975 GFGALTOLABRXKT-LJQANCHMSA-N 425.558 2.499 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359131002 FJLOFXLGDPCKSL-UHFFFAOYSA-N 426.525 2.270 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359227521 DCPRVVDMFJCIBJ-BEFAXECRSA-N 431.487 2.455 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1359476332 BRXADZUSHBXZNR-APWZRJJASA-N 442.545 2.292 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(=O)n(C)cc2Br)ccc1F 1439665937 FCQYFILGCFQFLS-UHFFFAOYSA-N 444.282 2.004 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)c1C#N 1457569295 KJFNNDZWMLZQRK-WZONZLPQSA-N 436.516 2.421 30 10 IEEE C=CC(C)(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1463305426 NCYYXEHEWXMFKF-UHFFFAOYSA-N 448.589 2.481 30 10 IEEE C#CCN(C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1466847589 CBXWJHDNHLUBGR-YGRLFVJLSA-N 437.371 2.169 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](CC#N)C2)CC1 1470047285 BRUPKVFOJGPILD-INIZCTEOSA-N 434.518 2.456 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC1 1471335709 GTVBCZDJEFCAHG-IBGZPJMESA-N 447.605 2.047 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 1471832397 DEVGDAPZLRSXAB-ZDUSSCGKSA-N 430.357 2.262 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1502564410 JJTAQRFVEVUAPJ-QHCPKHFHSA-N 438.532 2.403 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1OC 1502803587 ASORCUUAVFVJKG-KBJGYGKASA-N 445.495 2.334 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1504409636 DUNVECZQEGHOBB-QUCCMNQESA-N 441.532 2.049 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CCCC1 1507644603 LEGFALAYDILQPU-UHFFFAOYSA-N 431.949 2.424 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccco1 1507699328 FWOPVMVMCWIJKX-HNNXBMFYSA-N 431.493 2.309 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nnc(CC)s1 1507711202 QANZTRIPNQKWPU-KRWDZBQOSA-N 440.529 2.339 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)COC)CC1 1507749290 XQQRNBUOISHTQD-UHFFFAOYSA-N 443.573 2.052 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1507753308 DTZUOVCPILAVIP-RTBURBONSA-N 425.558 2.482 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1507763763 DGMKYMDZRFTRRH-OAQYLSRUSA-N 439.545 2.010 30 10 IEEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)CC1 1507902664 ZUJJPMAUHAQFFT-UHFFFAOYSA-N 429.475 2.300 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507961037 XGRJRXCQMATRES-SFHVURJKSA-N 445.531 2.310 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507961749 FCQYARHUMCKZMK-BEFAXECRSA-N 445.486 2.352 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1508124400 FZSZRKCVXGINBB-VXKWHMMOSA-N 440.592 2.402 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCN(C)C2)C1 1508131077 YIRAJHGQCRTFAV-RTXPOLOASA-N 433.597 2.045 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCOC1 1508144678 WQBXOGOKEIQRHE-GOSISDBHSA-N 434.562 2.300 30 10 IEEE CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1509423697 ORVGOLWWSPIFTQ-QGZVFWFLSA-N 433.516 2.470 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1510151204 NNQYOLQYXZWCIB-UONOGXRCSA-N 447.540 2.490 30 10 IEEE Cc1coc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1511429783 ITOOAWFRCPYXPS-UHFFFAOYSA-N 428.518 2.060 30 10 IEEE C=CCOc1ccc(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 1515265796 XXENAQGSPSKQFW-UHFFFAOYSA-N 444.553 2.272 30 10 IEEE CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1515393486 KDGFPEIWYSCFFQ-XUTLUUPISA-N 438.488 2.435 30 10 IEEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1517148008 PKZAPMINLZOGNK-UHFFFAOYSA-N 429.502 2.107 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccsc1 1519430452 UEZQPNFTMZREBL-QTLCSOKXSA-N 435.525 2.413 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOCC1 1521423157 KGMONYQPGSSELE-HTXNQAPBSA-N 446.870 2.101 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)CC)c1 1539044221 ZOEXMOXYQZLNOH-WZONZLPQSA-N 425.533 2.389 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539215973 MGDCTEJEXKKXJE-MJGOQNOKSA-N 433.622 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccnc1 1539416378 NABHJQOJLDAWSF-UHFFFAOYSA-N 446.559 2.176 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1539999832 SPIOXFAMMNYPJG-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540083652 BWWOSZHORWWABK-LJQANCHMSA-N 436.564 2.430 30 10 IEEE CC(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1541091423 FXDACVDTUKXHDJ-UHFFFAOYSA-N 425.512 2.409 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1541196542 DIVLNLHPLYYTNK-UHFFFAOYSA-N 441.536 2.441 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCCC1 1541472404 HOTWSHPVTFCGKZ-LJQANCHMSA-N 437.596 2.339 30 10 IEEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1544272826 CQSRRTYWMKNDTI-GOSISDBHSA-N 442.589 2.172 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1 1544446672 CSGMPKUAZKCOBG-LJQANCHMSA-N 427.526 2.073 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1547250618 IDMULUODCJEPKW-UHFFFAOYSA-N 426.912 2.366 30 10 IEEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1555225407 HQYVPUVKWAXHIL-GOSISDBHSA-N 439.564 2.287 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCCC[C@H]1C 1555753011 JWAWDDNKMGKLDJ-ANULTFPQSA-N 446.596 2.385 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1=O 1556455182 DQFOUVYCMQSVSA-MOPGFXCFSA-N 426.517 2.425 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc1 1556629332 SOJKPRIJWGZXPN-QHCPKHFHSA-N 434.540 2.079 30 10 IEEE C=C[C@H](C)ONC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1557326427 PFLXHQKLMBUEFT-NSHDSACASA-N 430.299 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1560196914 BOMWNAPWISJWII-MOPGFXCFSA-N 435.546 2.045 30 10 IEEE COCCC[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)cc1 1564733301 XWIKKDBBEQEVGD-ZWOKBUDYSA-N 439.965 2.430 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1568690874 UVGSLFFNNNWEKD-JOCHJYFZSA-N 425.441 2.381 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1586204814 MMAKYUUJPVAFFC-ZZPBVIFJSA-N 427.567 2.055 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1587587040 WUZDREHPZOPYFR-LLVKDONJSA-N 446.396 2.118 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588034672 KGUUIACLNGVTOB-IBGZPJMESA-N 446.573 2.396 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2nc(C)cs2)n1 1588723714 OVTNDLZLRCPJKQ-KRWDZBQOSA-N 441.561 2.078 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2c(C)noc2C)CC1 1588923465 ABPYATHPFFVOOV-UHFFFAOYSA-N 447.543 2.462 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1594857488 KASMXUPSRUVVRG-SNVBAGLBSA-N 434.385 2.383 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1594885290 DQHRDUPSCVKZLT-UHFFFAOYSA-N 432.330 2.113 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1595200767 PPFJKEQWKOUPRX-NRFANRHFSA-N 427.578 2.121 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595850760 SHAKYLQXODJIMQ-NVXWUHKLSA-N 428.518 2.487 30 10 IEEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCC(F)F)CCO2 1613032779 UYWTXNWUBRMDJT-QVKFZJNVSA-N 433.459 2.483 30 10 IEEE C=CC[C@@H]1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1618573459 PSVQGSZJUKAWJJ-MRXNPFEDSA-N 433.530 2.194 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1618859873 HTKCXOYNZIJTMF-GOSISDBHSA-N 427.505 2.281 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1)NC(=O)OC(C)(C)C 1620309917 ABYGNBSPYLESEJ-ZBFHGGJFSA-N 431.541 2.272 30 10 IEEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C 1622727222 ZSOIMDYGGWNEQT-INIZCTEOSA-N 425.551 2.400 30 10 IEEE CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2I)CC1 1626250188 XBSWKVDGGYYYOJ-UHFFFAOYSA-N 447.298 2.163 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(Br)cc1I)C(=O)OC 1629617315 MBOXJOHJPLPLHE-NSHDSACASA-N 436.043 2.348 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1641797238 TWUBBCYZXWZSMB-QFEPDWEUSA-N 431.374 2.359 30 10 IEEE CCc1ccc(S(C)(=O)=O)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651220726 FDYBHZLQDCDRGO-UHFFFAOYSA-N 430.482 2.170 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)CC1 1659310367 SLQWUUTXTIFPRO-SXLOBPIMSA-N 428.581 2.140 30 10 IEEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](c1cccc(C#N)c1)C(F)(F)F 1659904416 UCGILRGPCBMMLX-QGZVFWFLSA-N 442.419 2.046 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)cc1 1663997190 VGKUAVZFFXAQLH-UHFFFAOYSA-N 441.278 2.178 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)C1=O 1665389041 OWVHISBMQHRZNT-WBVHZDCISA-N 444.536 2.452 30 10 IEEE C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1=O 1668857879 JIRHFROOUSTFLC-AABGKKOBSA-N 449.573 2.130 30 10 IEEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 1685524520 CYVJTBTVSUBZPU-UHFFFAOYSA-N 443.913 2.023 30 10 IEEE Cn1cc(CNC(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)c(-c2ccc(C#N)cc2)n1 1686078300 AAFBMHNXLZXLFT-JOCHJYFZSA-N 433.516 2.347 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1686341203 FBPNPUXYEMBWBB-FGTMMUONSA-N 427.505 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ncccc1N(C)C 1690053688 GMGVKNNCZBKENC-UHFFFAOYSA-N 447.568 2.242 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC=CO1 1690088365 JHUVNPOHLJQUIR-VQIMIIECSA-N 447.536 2.360 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(OC)CCOC1 1690092850 YUXDIVCFMJSQHP-QHCPKHFHSA-N 441.532 2.039 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2OC)CC1 1690113424 JFDRDNVVLPMSMO-XMMPIXPASA-N 439.560 2.131 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690285522 AXEHDVATWYTAFA-SJORKVTESA-N 430.578 2.377 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 1690299476 SPTKVTLCRNRABX-UHFFFAOYSA-N 430.528 2.475 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690316538 HRWFQAKJUJETFL-GOSISDBHSA-N 443.552 2.144 30 10 IEEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1690410695 UMZBNPQYTOSDFI-UHFFFAOYSA-N 443.458 2.378 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690661181 WKWLZSQOBKNLQV-AABGKKOBSA-N 436.560 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690716000 ZWEDCYCQVZQQCR-UHFFFAOYSA-N 431.562 2.164 30 10 IEEE CC(C)c1nnc(N2CCCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691846842 KWEDECMYACWMQR-XDOYNYLZSA-N 441.580 2.383 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)N1CCCC1 1694442198 CXRRDUFEXZRAOC-LJQANCHMSA-N 442.589 2.172 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(F)(F)Br 1694737279 ABCBCDLRPKZOKG-UHFFFAOYSA-N 426.269 2.421 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1 1696460471 ABHXMXCTGRGBPU-MRXNPFEDSA-N 431.562 2.381 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCOCC2)nc1 1705624340 YMTYPHHVEOICLM-UHFFFAOYSA-N 436.516 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC)cc2)CC1 1705649228 PWKQFKPHVZJERV-UHFFFAOYSA-N 432.528 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2ccccc2C)CC1 1705652716 KUCJWVMYKVCLAO-UHFFFAOYSA-N 425.533 2.168 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1705675057 VWSVZYNDWBLNAN-NZQKXSOJSA-N 441.601 2.282 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705838664 XFNWUMZFUSOKEX-ROUUACIJSA-N 437.552 2.042 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N2CCCCC2)C1 1705916702 MTFZLPLFPVGHHJ-WMZHIEFXSA-N 447.580 2.114 30 10 IEEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1706202435 XGFQGIAHWNAQSM-UHFFFAOYSA-N 428.500 2.181 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1CCOCC1 1706302063 KTFWBRIXOFLBQV-UHFFFAOYSA-N 425.537 2.047 30 10 IEEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1712774332 GACUOICRQSWSRP-IBGZPJMESA-N 440.573 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1722293053 BKBAUNWEYOEYNX-BJLQDIEVSA-N 445.589 2.181 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1722294665 RPKFTJNZWIIWMW-ZWKOTPCHSA-N 433.560 2.382 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2(C)COCCO2)c1 1722304594 AGQIWTVESXOKMC-DEOSSOPVSA-N 446.511 2.202 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722357108 ZVTIBDURGDCGLS-NHCUHLMSSA-N 441.601 2.337 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1CCN(CCN(C)C)CC1 1722361469 FCJBWDPPKIHOKP-UHFFFAOYSA-N 428.556 2.339 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCO[C@@H]1C 1722378352 ARVBXYUXQIJZSS-FZKQIMNGSA-N 435.347 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccnc(-n3cccn3)c2)CC1 1722444686 MQIYWKNKBPREAA-SFHVURJKSA-N 446.559 2.386 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722457074 ONJHVJYVDKYOKW-SFHVURJKSA-N 428.583 2.247 30 10 IEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1722488749 CUHRSZBGJPGDRN-INIZCTEOSA-N 429.278 2.366 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1722574320 KHZQXPPYCYUTNB-RRMPHLOHSA-N 437.610 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)=C(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722731186 GEMDZCRXCWYEKQ-NRFANRHFSA-N 438.594 2.466 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 1722862734 DWVSYYAJUCVVNA-SCLBCKFNSA-N 437.342 2.447 30 10 IEEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1724903191 HZPZUAIHUYCZNE-LJQANCHMSA-N 426.546 2.397 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1728645092 DDEPJTQYPXFKMX-OAHLLOKOSA-N 426.521 2.474 30 10 IEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CCOC1 1729954443 QDFLAIBWJDGXOT-KNQAVFIVSA-N 427.505 2.149 30 10 IEEE CON(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1730971653 CRCNOEJZWMRMTM-ISLYRVAYSA-N 432.868 2.035 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCc1ccco1 1740547220 QPRMOBNQQPBKQZ-KRWDZBQOSA-N 429.484 2.498 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740576269 ZSUZTPHFFWPLKN-LBEKAKSKSA-N 448.614 2.358 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1740590323 GRLWADFENJCOOS-OAQYLSRUSA-N 441.601 2.306 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740625072 NPBURJPCXSPHKF-KRWDZBQOSA-N 433.603 2.451 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccc(OC)c(OC)c1 1740653158 BYORRQVRVVEGGF-IBGZPJMESA-N 435.528 2.342 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCNS(C)(=O)=O 1740666251 IBCRSIZENWVQCJ-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740784192 NNFGWHVCQNSAIV-UHFFFAOYSA-N 443.621 2.344 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740786864 QYUBHCFNBOEWHD-MRXNPFEDSA-N 447.540 2.093 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740862031 IEXOFKIVMCNRKF-IRXDYDNUSA-N 448.568 2.315 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1740882838 ZUFQYAVZWXQKKF-KRWDZBQOSA-N 437.903 2.282 30 10 IEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740996592 FCKHCIUBDNILNJ-QAPCUYQASA-N 436.603 2.475 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2CCN(CCN(C)C)CC2)n1 1742678049 CUYYBHWYBZDIOE-SFHVURJKSA-N 441.628 2.009 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748809355 LLNWONXQBNNONV-RBUKOAKNSA-N 428.558 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1748825185 RCGHGBMNFNXXMR-QGZVFWFLSA-N 430.553 2.038 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1748925448 IAIQZVCRRQACDD-KRWDZBQOSA-N 428.541 2.144 30 10 IEEE COc1cccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1748965106 HLZZPWRKLRNXFK-UWVAXJGDSA-N 427.505 2.377 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1749024671 YHYAAXISNPRDSZ-UHFFFAOYSA-N 443.573 2.434 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1749229674 NVXCRWZQMJHGLW-NRFANRHFSA-N 441.532 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@@H]1CCOC1 1749657851 HXFOKTXCOKYGBH-QGZVFWFLSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(OC)c(Br)c1 1749681414 AJOVTLWWGZANPP-UHFFFAOYSA-N 446.309 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1749725801 UZBQXFDUJBGXBA-HXUWFJFHSA-N 449.508 2.005 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1cccc2[nH]ccc12 1751193592 CDIIIJPWRALCQF-HUUCEWRRSA-N 429.550 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1760212562 XLUZQHJPNDFTGO-XMMPIXPASA-N 445.527 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@H]1C 1760213134 QTAMSJRQQAITON-WZONZLPQSA-N 440.569 2.363 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1C 1760252314 DBBOBFDAMKUEAL-SJORKVTESA-N 431.562 2.028 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N(C)C2CC2)CC1 1760264941 ZQPSVWNTHBBTFW-GOSISDBHSA-N 426.540 2.234 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](COC)C1 1760275744 HHOCCGLDGYCHAE-MRXNPFEDSA-N 434.587 2.188 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOCC1 1760335658 PIRNIRNDDFUBRS-PZJWPPBQSA-N 426.565 2.398 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)CN2CCCC2)CC1 1760396327 AQSSRBGWZDDCBD-QGZVFWFLSA-N 438.642 2.413 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(=O)NC 1760563727 ASSYYSMDUAVHLY-UHFFFAOYSA-N 427.534 2.085 30 10 IEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1760710255 JUWAMADMTWFWCR-RTBURBONSA-N 449.559 2.226 30 10 IEEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1760845015 XFVSNGIWJZDIJO-UHFFFAOYSA-N 438.536 2.218 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCc1ccccc1 1761495513 VFEYEPFWCLUMCU-LAUBAEHRSA-N 446.577 2.235 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1761725679 HFVXDWVIZYIOQB-WTNAPCKOSA-N 429.496 2.456 30 10 IEEE CC1CCN([C@H](C)Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1762949390 LGGYCPNUTRBOIG-QTEQDKRBSA-N 446.596 2.168 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CC(=O)N1C 1763142665 MPCICXILOBYXRF-CYBMUJFWSA-N 426.427 2.327 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC(F)F 1763227105 ZLCJJWLOWNWXTF-MRXNPFEDSA-N 434.447 2.073 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1763762735 FLDYDZJDDAXUFT-XDHUDOTRSA-N 449.559 2.086 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768798821 MGZCWFAJXCSWDH-XOMICKMZSA-N 428.537 2.325 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1770327270 VKZBBMGREHIRPQ-INIZCTEOSA-N 442.545 2.370 30 10 IEEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1770419181 YXICSRZDARMGDT-AWEZNQCLSA-N 439.545 2.089 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)c2cccc(O)c2)C1 1770726857 AUYLLDNDNKYOSB-JOCHJYFZSA-N 435.463 2.308 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1770755324 WROFRWZTHBNRIE-INIZCTEOSA-N 444.517 2.418 30 10 IEEE COCCN(C)CCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1771077459 XBOARKDAGNVKPK-BDTNDASRSA-N 438.576 2.494 30 10 IEEE Cc1ccc(-n2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)nn2)c(C)c1 1851921004 DIVCUUGROFXOBD-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCC[C@@H]3C(=O)N3CCN(c4ccccc4)CC3)cnc21 1852827686 KHFZFAGWPIWRJC-JOCHJYFZSA-N 442.523 2.398 30 10 IEEE CCOc1cc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nc2cc(OC)c(OC)cc12 1853387430 YQZVQHCBKPTBCD-UHFFFAOYSA-N 448.483 2.275 30 10 IEEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H](C)Cc1nc(-c2ccccc2)no1 1853539742 KKWMFQPEPGMQHV-SJLPKXTDSA-N 434.500 2.469 30 10 IEEE C=CCN1CCN(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)C(=O)C12CCCCC2 1856282607 SYJHVLOHUOXRFQ-QGZVFWFLSA-N 430.574 2.457 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@H]2C)cc1 1856311260 KAQDEPHUVQWGSQ-OAHLLOKOSA-N 427.482 2.019 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2C#N)sc(C(=O)N(C)C)c1C 1860748982 RHMSTDKFWCRFMT-UHFFFAOYSA-N 428.470 2.384 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675520 MZNWOFRHALZPKY-FQEVSTJZSA-N 442.443 2.147 30 10 IEEE C=CCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(C2CCC3(CC2)OCCO3)C1=O 1863523641 AMYQEBNSMRZTRY-UHFFFAOYSA-N 428.485 2.245 30 10 IEEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870156211 BMEFLCPVWGHAEG-UHFFFAOYSA-N 426.795 2.296 30 10 IEEE COc1cc(/C=N/N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccc(C)cc1 1873470471 IWCWMPGVGGKZPD-FNLSEGDXSA-N 431.514 2.132 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2(OCCO)CCCC2)[C@H]1c1ccc(C#N)cc1 1889484821 QEEWAABZWPKIDF-NHCUHLMSSA-N 445.585 2.390 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1 1891396232 WIZXAIOWJJXUNC-MRXNPFEDSA-N 432.477 2.111 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)C1 1991985938 NJQAYYHUSZVNEL-HXUWFJFHSA-N 425.526 2.088 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2010034756 ZVVYLJOXSBFFLZ-CABCVRRESA-N 441.525 2.167 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2010149945 FSBWPZBDYJFZJX-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE C=C[C@]1(CO)COCCN1C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2022249655 IKYOLJGALOPBNO-XXBNENTESA-N 434.533 2.263 30 10 IEEE CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539133 QSLNHZVYZRDORZ-ROUUACIJSA-N 446.353 2.319 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224103517 VVIVTAPPHIELHR-JOCHJYFZSA-N 433.358 2.237 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2227474861 SUZSZSIFPXGFJU-GJYPPUQNSA-N 425.323 2.043 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2232314955 ZUELFXHVBMCNHV-IRXDYDNUSA-N 445.369 2.453 30 10 IEEE C[C@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255706751 NNWYGPQODQEKKA-WCQYABFASA-N 430.232 2.108 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255807780 ATLDAZNWJNYMID-WDEREUQCSA-N 447.288 2.114 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255825689 DFBNBMPMHOQAGL-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)OC1(C)C 2267140699 SHWJBSJXZNFSTE-QWFCFKBJSA-N 436.365 2.349 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267197679 NGDBVUCGKCOHOE-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2ccc(F)cc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2267405395 NYSDCXYAEUMACX-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267499047 YTRITLGMLQXKAE-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504298 QOOZWGRBCMLMPP-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267515673 RQYWTIGLSHEDNE-GJZGRUSLSA-N 446.357 2.323 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528974 WFYIKCKOONOYKB-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)cc2Cl)OC1(C)C 2267703471 WPWQQYFGOBTRLN-LLVKDONJSA-N 449.787 2.084 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269058745 XABBIELNNHPEEV-KRWDZBQOSA-N 440.305 2.171 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2269073443 KMXYUJZVNGLOMG-HXUWFJFHSA-N 438.333 2.301 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2269713210 NLJCPZNDRJPVLG-YXJHDRRASA-N 443.353 2.427 30 10 IEEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271393453 DCPRGKZEBFSNGY-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE C[C@@H](CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[S@@](C)=O 2282840813 JJJSLEMYTJXDNN-UXMMLNGASA-N 441.833 2.136 30 10 IEEE C=CC[C@]1(CO)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2287709420 HUSCDKOIVOABFG-QFIPXVFZSA-N 434.558 2.433 30 10 IEEE Cn1cc([C@H](O)[C@@H](N)C#Cc2cccc(Br)c2)c(I)n1 2296228736 BRIQPIUZCWXHEX-STQMWFEESA-N 446.086 2.200 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCCC(=O)O)C(=O)[C@]12C 2297591210 GRSFRYUXQZOMIM-JOCHJYFZSA-N 429.425 2.023 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339309075 XLQXMGSIWAYKOT-ZWKOTPCHSA-N 443.353 2.322 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)nn1 2342478911 BFJRLLWUULNWAI-YCRPNKLZSA-N 449.361 2.466 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](CCO)COCc1ccccc1 2343508627 AGDQDLMYAXQNRE-HXUWFJFHSA-N 440.349 2.387 30 10 IEEE CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(CCC#N)CC3)c2)n1 28612 PPWKQPQWYFFZTK-UHFFFAOYSA-N 434.504 2.286 30 10 IEEE O=C(c1ccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCc2ccccc2C1 6529765 JWZOHFRLBBVYHC-RBUKOAKNSA-N 427.551 2.375 30 10 IEEE Cc1nn(C)c(C)c1/C=N/Nc1nnc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)[nH]1 20836979 SWRPIOPFTDKZRK-UFFVCSGVSA-N 447.613 2.119 30 10 IEEE NC(=O)c1ccccc1OCC#CCNC(=O)c1ccccc1I 90743769 QNMQLCSIYJUOEV-UHFFFAOYSA-N 434.233 2.202 30 10 IEEE C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 111001876 FVYFJYGAVUVSPW-FZKQIMNGSA-N 447.513 2.400 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccc(O)cc1 170136512 MIMRRQWHQKVNSV-NRFANRHFSA-N 437.496 2.361 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl 410083494 AOXPUZVUVYXUMP-LJQANCHMSA-N 443.953 2.386 30 10 IEEE CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 443313073 PENDOLJVQDJTDA-UHFFFAOYSA-N 434.562 2.289 30 10 IEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 460948497 WVJLROHCLKGWQY-HXUWFJFHSA-N 434.544 2.478 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 478847564 GQBWXUQIWZTTSP-INIZCTEOSA-N 447.541 2.331 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2ccccc2OCCN2CCOCC2)c(F)c1 481025742 QKLODJQRNNPUEN-UHFFFAOYSA-N 433.505 2.028 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 496353540 AGNOXFXPWRHKTF-HNNXBMFYSA-N 425.308 2.459 30 10 IEEE C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O)n1cnc(C#N)n1 507894874 YCPZMXVHFGCPBX-LBPRGKRZSA-N 436.310 2.282 30 10 IEEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508504974 LNWBNHLBARNXNA-NRFANRHFSA-N 432.546 2.309 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 508843864 FYASWCMBPVBQEF-IBGZPJMESA-N 431.562 2.391 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)Cc3cc(=O)c(OCCC)c[nH]3)cc21 526901413 XXIXOUUPEMVMDD-WJOKGBTCSA-N 444.509 2.207 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1COc2ccccc21 533169426 MCXOYAYBWZMDJF-UZLBHIALSA-N 440.525 2.139 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)CC2)n1 546904491 UJXJQEGBLOCYHA-SFHVURJKSA-N 443.511 2.031 30 10 IEEE O=C1CN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)CCN1CC(F)(F)F 557677407 RZBYOVPFGOFZJX-UHFFFAOYSA-N 439.291 2.272 30 10 IEEE C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(-n2cccn2)cc1 577770802 GZFYXMZESFUYAB-XXBNENTESA-N 442.523 2.286 30 10 IEEE COc1ccc([C@@H](CNC(=S)NCCNC(=O)c2cccc(C#N)c2)N(C)C)cc1 586408662 OKPYLDXNVNYKJW-HXUWFJFHSA-N 425.558 2.064 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916128 IWDJHOJFWBUHJK-UHFFFAOYSA-N 430.533 2.355 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)[nH]1 727357155 OLKRSMFGBJDIJM-PGMHBOJBSA-N 425.536 2.112 30 10 IEEE CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C)cc1 729670280 PSXAKPJHXPKFEH-UHFFFAOYSA-N 428.517 2.433 30 10 IEEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/Cc1cccc(C(F)(F)F)c1 730144112 HLAUJSSFVHWXQI-DFVMWDSZSA-N 440.491 2.207 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CCN1C1CC1 732706898 RIVPQIBCPVYTCJ-OAHLLOKOSA-N 441.875 2.323 30 10 IEEE CSCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 735969574 LOSBQZXYOAUUFU-QGZVFWFLSA-N 433.603 2.311 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)/C=C\c1cnccn1)CCCC2 740965678 LXFYQAZVTHESMQ-ZPUOCTKUSA-N 435.484 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 757801351 SDTMAKDEZRCBSU-INIZCTEOSA-N 435.475 2.494 30 10 IEEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c1 760403598 KHOYRVKTLBZOAU-UHFFFAOYSA-N 441.575 2.249 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 763436714 KUALJNWOLLYGCX-INIZCTEOSA-N 439.562 2.183 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOCC)[C@@H]1CCCO1 773051465 NALQUSJTACBNHG-GJZGRUSLSA-N 432.336 2.324 30 10 IEEE Cc1cccn2c(=O)c(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)cnc12 773256104 PATCXEKPHZZOCQ-HKOYGPOVSA-N 439.497 2.068 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 780031382 KUQMWJAPQUTKKG-IBGZPJMESA-N 442.516 2.196 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCC1(O)CCC1 790001009 CKBZCEXOIHKLGS-SFHVURJKSA-N 432.590 2.300 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)n1 790104488 PAQLNUUGAIVOIF-AUSIDOKSSA-N 436.556 2.491 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2ccn(C)n2)C1=O 790736673 UILCUKJLXJMXBJ-INIZCTEOSA-N 434.591 2.071 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 802427974 KOKCLRBFULPHIT-LJQANCHMSA-N 436.520 2.425 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802558816 WILLWYTTZVDIDT-FDDCHVKYSA-N 426.517 2.470 30 10 IEEE COc1cc(CNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)ccc1C#N 810868560 SQJFLAQUDGFGRR-QGZVFWFLSA-N 430.505 2.089 30 10 IEEE CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 920751154 DBYYLMCFYPWJIA-KRWDZBQOSA-N 427.530 2.027 30 10 IEEE CC(=O)NCc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)s1 921281377 VPVOUPLDCAOSMM-RELWKKBWSA-N 434.543 2.449 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)cc3C)n[nH]2)cn1 1084384447 WFUDXCJGZRYAIR-UHFFFAOYSA-N 444.521 2.141 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1OC 1136879079 SDIOZWHZRNYFKP-WCJKSRRJSA-N 447.557 2.303 30 10 IEEE N#CC1CN(C(=O)c2cc(I)cc(I)c2)C1 1141516404 JIEJZUNMHNCVLS-UHFFFAOYSA-N 438.006 2.491 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1145015742 BDOQKAPVFNHYIC-OAHLLOKOSA-N 426.244 2.187 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OCc1ccccc1 1153333433 QJBXZSAWRUXOLE-HZPDHXFCSA-N 426.897 2.243 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C(F)F)on1 1155548047 PEOOOILZPVNRHO-ZDUSSCGKSA-N 426.445 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1155983339 CSNBTLSKFHLMOJ-RNQOJCNYSA-N 429.517 2.173 30 10 IEEE N#CC1(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CCOCC1 1159207286 OOGFBFACWSACRT-UHFFFAOYSA-N 434.290 2.262 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)ccc1F 1161863623 DSASEFFJZKTMKO-INIZCTEOSA-N 435.477 2.140 30 10 IEEE C=CCN(C)CCN(CC)S(=O)(=O)c1sc(C(=O)OC)cc1Br 1192328116 ZXEBAOSQRRKOGZ-UHFFFAOYSA-N 425.370 2.426 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)c(Cl)c1 1230737716 NAFQAYHEQIAJEQ-UHFFFAOYSA-N 438.859 2.020 30 10 IEEE COc1cc(CNC(=O)N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N 1248505695 QAHVOSLWMWEVJQ-JOCHJYFZSA-N 430.505 2.488 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286336837 PBLAEZDMIBNOPE-UHFFFAOYSA-N 448.571 2.095 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286388284 MYVNWOGORIZCTH-IIDMSEBBSA-N 430.530 2.170 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1286410664 VMZXNYUJONLAAP-SLFFLAALSA-N 445.633 2.010 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CCOC)CCCC2)CC1 1286474004 ZPQHUMQMIUDBNL-DEOSSOPVSA-N 445.608 2.282 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OC)c2OC)CC1 1286489989 JDQVDYPZWABXBE-UHFFFAOYSA-N 448.527 2.305 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1286732201 MPHJYAKCAHMMHZ-BQFCYCMXSA-N 425.599 2.494 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1286967721 FWNABSKDNZWZAX-IEBWSBKVSA-N 431.562 2.383 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1286967846 HTLRPMYIKJLDCH-DOTOQJQBSA-N 440.529 2.479 30 10 IEEE CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1287284400 XCORNOVZIWNFGR-QTIQAUKSSA-N 441.561 2.377 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1288908714 DNHUXKKFTKQGLR-LSDHHAIUSA-N 440.483 2.449 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2nc(O)c3sccc3n2)s1 1290527486 RBZZCVRRKYHNTK-UHFFFAOYSA-N 438.556 2.124 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1291806061 YWNLOAKLNAPQOR-QGTPRVQTSA-N 438.488 2.236 30 10 IEEE CCCCn1cc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1294294805 AQTWYDMPPIZASH-IBGZPJMESA-N 442.568 2.279 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1295248802 KWVLUPBTHQRUAJ-SJORKVTESA-N 443.552 2.411 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297222528 BHPJHGKBFCNVTA-ZBBYCGENSA-N 446.552 2.125 30 10 IEEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)c1ccc(F)cc1 1298347778 GWPCUDQVUBMDAI-KRWDZBQOSA-N 436.530 2.385 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(F)(F)F 1299602217 VUWADDVHWVUKSK-XJKSGUPXSA-N 436.438 2.451 30 10 IEEE CO[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1299683103 DEJCTBHOAQWIKD-KBXCAEBGSA-N 426.521 2.378 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300314732 IQCAOSPWTMZDHO-XXBNENTESA-N 430.556 2.337 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(CC)C2)c1 1300333939 GPBZDAWGVYPNAV-UXHICEINSA-N 436.560 2.180 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300504915 VZRJNDALDCDFMM-JKSUJKDBSA-N 428.624 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccccc1 1300555461 ZBUABBJGEUWCHA-DEOSSOPVSA-N 428.496 2.296 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1300603718 XQCYKXSPBVYQSA-HSZRJFAPSA-N 443.523 2.267 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1301370505 FOEDHHQDTONUDB-VAMGGRTRSA-N 430.597 2.495 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1301460450 UJHYNAXWDNJOAM-CVDCTZTESA-N 443.548 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301586745 IPMGVFQYLAWLSE-RBUKOAKNSA-N 448.564 2.472 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1302027962 KDZPBHZZJRMNMU-YCRPNKLZSA-N 430.484 2.451 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1302090412 ZSRIFEGGBWMSDZ-KRWDZBQOSA-N 436.564 2.084 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1302433391 BAKAAWWGILYDEZ-IBGZPJMESA-N 440.504 2.413 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1306196314 CLHVDOVMJHPOSL-NRFANRHFSA-N 437.592 2.396 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@H](COC)OC 1309194752 UIEYPFKZJNGNGF-GOEBONIOSA-N 432.336 2.199 30 10 IEEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1316465172 GIRLHRLOERUNTR-UHFFFAOYSA-N 428.562 2.288 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(F)ccc1I 1349456057 FKPNNZQWBBVSBV-UHFFFAOYSA-N 441.204 2.114 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cn2ccnn2)cc1 1355744120 ISLIXLAODJDCPE-GFMRDNFCSA-N 438.513 2.392 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1358896640 IYZIBPNNCBXJKS-RBUKOAKNSA-N 445.589 2.356 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(F)F)c1 1358978063 CFHHKXJJJSGWKW-KRWDZBQOSA-N 432.496 2.413 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CSCCS1 1359019295 QADHVADUBOXURW-PXNSSMCTSA-N 440.635 2.253 30 10 IEEE C=C(C)Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359125050 NTJLDGAQTRLJAE-JOCHJYFZSA-N 445.568 2.299 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1359266929 PDZBGFAUCCJZKK-ZDUSSCGKSA-N 439.611 2.264 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccn(C)n2)C1 1359313020 FRUFTSHOJJFTOG-DENIHFKCSA-N 430.553 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cccs1 1359326693 HZWYEFADUUMGHX-HNNXBMFYSA-N 437.591 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](COC)C1 1359328794 OMOFTVLOMXPNGB-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CCC)C1 1359328946 TUXFIGJFRPSQEL-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1451966825 CEZPWHOOXHGMCD-LBPRGKRZSA-N 441.435 2.090 30 10 IEEE COc1cc(/C=C(\C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc2)ccc1O 1457205609 ZKGOPYAIGPVGFR-OCKHKDLRSA-N 444.447 2.159 30 10 IEEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1459718390 QZXZCOTZYDNIRI-SFHVURJKSA-N 448.498 2.070 30 10 IEEE C[C@@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1460865918 GSJVAYUGPHIRHY-UGKGYDQZSA-N 430.549 2.179 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)OCC 1462159518 ZFBMISLYUPARDE-CYBMUJFWSA-N 434.836 2.253 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1499184130 DIQCHAYQZZUJGS-JOCHJYFZSA-N 435.576 2.293 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H](OC)C(F)(F)F 1499307302 JLAPRIKGSATWGI-HOTGVXAUSA-N 436.438 2.499 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1503116810 FZBODWYUKSJEFU-ROUUACIJSA-N 426.521 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1507542097 OXVPHWYBTAWHMZ-INIZCTEOSA-N 437.573 2.372 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1507638533 RWGZVFPPNGBJKQ-SFHVURJKSA-N 444.557 2.293 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COc1ccccc1OC 1507690691 VHGNXKDKXBUBMI-MSOLQXFVSA-N 446.573 2.363 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCOC1 1507702292 ICEXNLLYFFNAIN-CVDCTZTESA-N 428.533 2.272 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1cccs1 1507708781 NEUFWWWUDWMTGK-UHFFFAOYSA-N 434.529 2.311 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2c(C)noc2C)CC1 1507715431 AXPQBZYSDRYIEP-INIZCTEOSA-N 448.531 2.089 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507725251 RVURFFVYXVMROT-NRFANRHFSA-N 444.461 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1507760973 DOSMBSJLILMCQN-HSZRJFAPSA-N 435.532 2.176 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1507968259 QPFDJBXVUJFBPV-LBPRGKRZSA-N 443.957 2.229 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508061577 QEXUWMNAJGBITK-ZHRRBRCNSA-N 430.553 2.438 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1508090771 JUGYLINBTGXNMA-YXOGEAQLSA-N 431.562 2.019 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1Cc1ccccc1 1508132092 UUNYAHDDQRHOOG-IBGZPJMESA-N 445.589 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CCC(C)(C)C)CC1 1508137737 QQAMUENKYAQPKO-UHFFFAOYSA-N 446.621 2.499 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1508390256 WEYUZDFFZNKQNH-UHFFFAOYSA-N 426.521 2.178 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1(=O)=O 1508415617 DNXBOCYSMNECOO-HOCLYGCPSA-N 431.518 2.237 30 10 IEEE Cc1cccc(C(=O)NCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)c1 1511060734 KZTOWRHCLSOJTF-INIZCTEOSA-N 449.515 2.483 30 10 IEEE COc1ccc(COCCn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc1 1518297110 APJJMQHOUTVOHU-UHFFFAOYSA-N 433.516 2.405 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)cc1C 1519162527 SQXNRGPQGLNFTA-UHFFFAOYSA-N 439.564 2.303 30 10 IEEE CN(C)C[C@](C)(C#N)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1520702222 PXURMGJIGKLWSQ-INIZCTEOSA-N 440.323 2.253 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1521114699 IWGVNSNFTHSPJO-GOSISDBHSA-N 429.546 2.386 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)cc1 1526379783 GQDLROGCVAETGU-KRWDZBQOSA-N 429.542 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1527772108 VSBJAJKOAHLDFI-HOTGVXAUSA-N 440.541 2.326 30 10 IEEE COc1ccccc1-c1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(O)n1 1529118470 AFKDICNIHPMPOS-UHFFFAOYSA-N 432.484 2.339 30 10 IEEE N#Cc1cccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1Br 1529665880 ABHOTBKDKHIALA-UHFFFAOYSA-N 436.278 2.315 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)ccc1F 1529888230 ZPLRHFBSQAMGOI-CQSZACIVSA-N 446.504 2.311 30 10 IEEE C#CCSCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1531592660 SWHYZJHQPCKWRF-CQSZACIVSA-N 431.377 2.085 30 10 IEEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)cc1 1533809011 ACUMLEPODMRMEC-UHFFFAOYSA-N 437.525 2.035 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@H]1CS(=O)(=O)C2 1538540437 WTCLKIXUNDZIFR-GTNSWQLSSA-N 425.297 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1538961472 AWMLGSFOSDGNIQ-CTNGQTDRSA-N 438.576 2.256 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539125467 ZYSLMKYBOWRBOF-GOSISDBHSA-N 435.981 2.454 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539134200 RKQPVONDKNCETH-LJQANCHMSA-N 426.542 2.206 30 10 IEEE C#CCCCn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539141070 RZVIQXFCTNOULL-ZRCGQRJVSA-N 433.597 2.278 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1539260832 VKNAYXPXJMBJCZ-PKOBYXMFSA-N 435.528 2.198 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)c(C)c2)CC1 1539427328 AUFZSVDRNSMBDV-UHFFFAOYSA-N 426.540 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ccn(C)n2)CC1 1539431046 OKNWEFFULWZAOZ-LJQANCHMSA-N 449.559 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCOC[C@@H]2CCOC2)CC1 1539483276 VFNVTMHILCAIMB-IBGZPJMESA-N 445.608 2.276 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539580994 UCCCQLLCINLSQM-UKRRQHHQSA-N 447.293 2.477 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1539743926 VQUWDHRZTQFKNF-UHFFFAOYSA-N 433.578 2.318 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](COC)C1 1540863654 AAROMSCSIZDOIL-AWEZNQCLSA-N 434.338 2.483 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccs2)C1 1540881313 FPRHPAPRSDFQBB-IIBYNOLFSA-N 431.562 2.265 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2nnc(C)s2)CCOC1 1547894019 PFEIRMGCUATXGB-RBUKOAKNSA-N 435.529 2.165 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1548241689 QZMAZOQMGSVELH-QHCPKHFHSA-N 438.532 2.404 30 10 IEEE Cn1cncc1C(=O)N1CC[C@@]2(CO)CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1 1548366695 GZRABPMDJAWBIN-QRWLVFNGSA-N 433.434 2.272 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1554704908 KQSWAGIRJDGCRK-IBGZPJMESA-N 427.505 2.149 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCc1nnc2n1CCCCC2 1555729985 ZHLFSPQACYJHRM-ZWOKBUDYSA-N 442.568 2.301 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1([S@](C)=O)CCC1 1555744076 RWSYNUDXHRZITR-KSZYLEPESA-N 435.594 2.433 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3ccc4c(c3)nc(CO)n4C)c(C#N)c2N)cc1 1566187056 YHJXDBWHBKROII-UHFFFAOYSA-N 443.511 2.376 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H](C#N)C2CCCC2)C1=O 1583395636 QKJBIMSZYGUQHA-DNVCBOLYSA-N 433.306 2.415 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1584471039 UAOGEFCHXKKQHD-GDBMZVCRSA-N 443.447 2.485 30 10 IEEE CSCC[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1585476664 LTSSYGDCQHMZDL-KSZLIROESA-N 434.558 2.148 30 10 IEEE CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 1586966963 FPBOMEZOQCRYFE-UHFFFAOYSA-N 434.496 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1587651306 LNDFXAYBHOOCMM-IIBYNOLFSA-N 446.646 2.300 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnc(C)s2)c1 1587692786 LPMJOZVXXFNFBK-GOSISDBHSA-N 449.540 2.099 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)Br 1587975025 KCWWALZFNIRBGH-UHFFFAOYSA-N 437.248 2.249 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C[C@H]1C 1588194366 UXKCSXSTSQQMPK-MJGOQNOKSA-N 425.558 2.314 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(F)c1 1588645939 FKVRXMAOLSNILO-KRWDZBQOSA-N 448.564 2.383 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1589059675 HOHAWHKFEJQBGT-ZCNNSNEGSA-N 433.622 2.086 30 10 IEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1594121678 CFKMBBXSBWOYQJ-LJQANCHMSA-N 445.589 2.338 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595330133 JOIVRWOXVMTVBZ-OAQYLSRUSA-N 448.545 2.172 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595476818 NNPAGKZKSPPCDJ-HUUCEWRRSA-N 446.939 2.041 30 10 IEEE C=CCSCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1595905049 BKTGGVHFPZPQTJ-UIFIKXQLSA-N 438.594 2.234 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1597691063 IMUXFPOBAYSMMS-MJGOQNOKSA-N 435.565 2.027 30 10 IEEE C[C@@H](c1ccccc1)N(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1611226306 DZCMTTNWANYLAK-HZSHHLKBSA-N 444.499 2.459 30 10 IEEE CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1615403024 CRSZMNSUYRKGMY-VXPUYCOJSA-N 428.468 2.369 30 10 IEEE CSc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C#N 1616341292 JDJVVUGQJUNJCV-UHFFFAOYSA-N 434.499 2.125 30 10 IEEE C[C@@H]1CCC[C@@H](CCN(C)C)N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1618271592 QCSZMYGEPOUQEP-IMFGXOCKSA-N 425.533 2.485 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1618841185 BJROSFWTUHKDBT-UHFFFAOYSA-N 440.932 2.417 30 10 IEEE COc1cc(C)cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1619066739 MVNAIEHTGLFLDC-NZQKXSOJSA-N 441.532 2.413 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620130420 JLAROLKAVVNCDH-ITZAQCPESA-N 442.907 2.350 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](CN4CCCC4=O)C3)C2)C1 1629806618 BVXQISAOXKOZMI-GRJHGRLYSA-N 430.549 2.244 30 10 IEEE CC(C)(C)n1nnc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 1633105297 ZIAVMHRIRUELRC-OAHLLOKOSA-N 432.326 2.213 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN1C1CCCC1 1635076898 SIKFOPSQPLHATI-MJGOQNOKSA-N 432.590 2.417 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CCO2)cc1 1636289515 SKZMHESOLFPPHP-QGZVFWFLSA-N 447.463 2.491 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N(CCN3CCOCC3)CC3CC3)CC2)c1 1636585953 DJSPRKFZKWZGNG-UHFFFAOYSA-N 425.577 2.276 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cccc(CN3CCOCC3)c2)c(=O)c1C#N 1638640292 CXHDZBKSHRSGLN-UHFFFAOYSA-N 445.317 2.315 30 10 IEEE Cn1nccc1[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1639618608 AWPWAOXQTSSEOF-YYTGVUGMSA-N 429.521 2.107 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(N3CC[C@@H](O)C3)CC2)n(Cc2ccccc2)c1C 1655127106 HVTIEVUBSJUNEQ-JOCHJYFZSA-N 435.572 2.494 30 10 IEEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1660925657 BPSYMCWORDGAEO-YMAMQOFZSA-N 449.451 2.447 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)ccc2Br)nn1 1665452182 XOILKEVOFJYHID-UHFFFAOYSA-N 443.323 2.272 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)c3ccccc3CC#N)C2=O)c1 1667811472 FNLQWPCISUFGHO-IBGZPJMESA-N 429.498 2.196 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(F)cc(Br)cc2F)n1 1668981943 CSKNAYMMBKIZCK-UHFFFAOYSA-N 448.289 2.394 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 1681434568 PKLMLWJEHKKZDD-LAQRGFTBSA-N 448.545 2.050 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(Cl)cc1 1686918275 IPJHMXJBOIVMCN-ZWKOTPCHSA-N 426.970 2.268 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1689898282 ZWLKYNYDXSXIDO-UHFFFAOYSA-N 443.559 2.308 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1nc(C(C)(C)C)cs1 1690092211 ABSWVEHZDWOVLI-UHFFFAOYSA-N 432.594 2.499 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCC1 1690095544 UHWQADXMCKZUEU-UHFFFAOYSA-N 436.354 2.437 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690225957 RPMUJPGLXCPSFY-WMLDXEAASA-N 433.354 2.406 30 10 IEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(=O)(=O)N(C)C)CC1 1690379502 SSRGHVYUYISSKQ-UHFFFAOYSA-N 433.578 2.120 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C2CCC1(C)CC2 1690662807 DVUXLYSDVDJWSF-UHFFFAOYSA-N 429.546 2.172 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690665754 OLBOFOCDNZQUHH-UHFFFAOYSA-N 439.438 2.150 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)NC(C)(C)C)C1 1690688286 RXOVNSXWPHWIPR-JTSKRJEESA-N 435.569 2.016 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCN(C)C2)C1 1690692156 SJMDXUMYMHLEOG-VGSWGCGISA-N 447.967 2.455 30 10 IEEE Cc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1693334610 CNPRBRXTLYOYGW-KXBFYZLASA-N 434.591 2.432 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705534411 HQACJOXWXCOOQO-OTWHNJEPSA-N 435.594 2.041 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705560975 MKGFFVVTPNDXPC-QGZVFWFLSA-N 442.541 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccnc(SCC)c2)CC1 1705652761 MBYARNDJWMZUSM-UHFFFAOYSA-N 442.589 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705704239 ZRTHQVJYUUTPJD-KNQAVFIVSA-N 432.613 2.202 30 10 IEEE CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706248904 DOFVPDLBJZPJOG-XMMPIXPASA-N 446.559 2.264 30 10 IEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](F)COC)cc1OC 1709859705 JXESSSUIDMDEMI-DLBZAZTESA-N 433.484 2.456 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1722276123 HHGHKUNAYDBVGO-OLZOCXBDSA-N 425.942 2.057 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)CCS(C)(=O)=O 1722316867 NKZWXSWJMRJCJE-LJQANCHMSA-N 432.546 2.465 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1722631530 PIPLKTZQDHNCBB-UHFFFAOYSA-N 446.983 2.331 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOCC2(C)C)C1 1722720746 GBQZREMHOYSLJP-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)C1 1723067734 YETXHKMPZGGZGM-LJQANCHMSA-N 432.532 2.340 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1726430706 ZNDQLFFYRLZQKJ-HSZRJFAPSA-N 449.515 2.448 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1726750467 VVMSNYSGJUHPMR-PXNSSMCTSA-N 427.505 2.149 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1727212849 COSJFUURZQLIKM-MXLIYFDZSA-N 443.552 2.102 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC(=O)NC1CC1 1729081724 GYZGNUUNMYESET-HXUWFJFHSA-N 438.532 2.323 30 10 IEEE COc1ccccc1Cc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(C#N)o1 1730297358 JOIQFSVISKWRDB-MRXNPFEDSA-N 434.500 2.447 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740547525 WXYOYNMNNPFAER-QGZVFWFLSA-N 438.557 2.405 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740612104 FAWGPOKTQJTEBD-UHFFFAOYSA-N 438.557 2.219 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CC(OC(C)(C)C)C1 1740640824 XIRLLPCRDMIRJB-JLAWEPINSA-N 432.590 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC 1740658710 MXVYVBZFFXRMPS-UHFFFAOYSA-N 428.558 2.372 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1740699894 XPFVTNFVSXMSTL-IBGZPJMESA-N 431.487 2.345 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 1740708881 DNNNIAVCBZKNHB-MAUKXSAKSA-N 433.603 2.378 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC2CCOCC2)CC1 1740790616 KWUWXRAEBVYXMG-UHFFFAOYSA-N 428.581 2.425 30 10 IEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1)C1CC1 1740906205 MMQMLHWNJAPQBS-QHCPKHFHSA-N 425.533 2.493 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(OC)CCOC1 1740932901 YRUWLQINCJDVGY-HSZRJFAPSA-N 439.564 2.436 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1743177263 OYTRLRXGAAYTHM-IRXDYDNUSA-N 446.577 2.150 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1COCCO1 1743749227 LALCDGVMSPEYDZ-MJGOQNOKSA-N 425.537 2.190 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1743951040 GUMNPQMETZTCOG-MOPGFXCFSA-N 443.573 2.374 30 10 IEEE COC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1748317235 SPWINFWEKPDTBO-JOCHJYFZSA-N 443.504 2.221 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1748759601 LHEFNUGNOAEHER-UHFFFAOYSA-N 433.564 2.287 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1748819993 WLRHTPSEUXRBST-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748848398 DAQBMHLLGCBBHJ-JOCHJYFZSA-N 444.539 2.312 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1748905453 DUKCTTQZCPUGKB-LLVKDONJSA-N 446.396 2.220 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749127361 KZQNZZFPDULCNJ-GAGVYUBLSA-N 443.470 2.366 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1749336226 GXOJNHBUSUURQD-LJQANCHMSA-N 426.613 2.355 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C=C)CC1 1749667230 VAFXGZUOZNDLAQ-UHFFFAOYSA-N 447.543 2.380 30 10 IEEE COCCN(Cc1ccc(C)o1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1749810339 BZIWLUYUPWLGMM-UHFFFAOYSA-N 438.488 2.468 30 10 IEEE CC1(C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1751298185 QAKOABLNTLGSSY-DXQAYGFFSA-N 446.577 2.030 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1752458840 JNSNNQCZGOKGLC-VBQJREDUSA-N 439.545 2.135 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cnnn1 1760102754 PTTHWEGHQGXPPG-ZDUSSCGKSA-N 445.325 2.251 30 10 IEEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1760135873 MJWCUYRBJFTHSC-UHFFFAOYSA-N 428.562 2.226 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(=O)OC)C1 1760309561 AZIJQTLGFLUHFC-CQSZACIVSA-N 445.321 2.425 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1760513436 XMHVFNCXEWUQFC-JOCHJYFZSA-N 429.496 2.218 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N2CCOCC2)C1 1760536893 HAQCIFFZOJZOEW-INIZCTEOSA-N 449.914 2.378 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1764682167 UNFIXVJPWVYXHT-AOMKIAJQSA-N 445.568 2.267 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1765377788 LYPCSSOFBPHVGT-YADARESESA-N 449.559 2.180 30 10 IEEE CCOCc1nnc(N2CCC(N3CCN(CC)C3=O)CC2)n1Cc1ccc(C#N)o1 1766316582 YJQCEPDJVTYALO-UHFFFAOYSA-N 427.509 2.054 30 10 IEEE Cn1cc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC(F)(F)F)cn1 1769007231 VSBLROTZAHOAOD-UHFFFAOYSA-N 429.344 2.263 30 10 IEEE COC[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1769222613 IJMVWPSCPIYAPQ-KRWDZBQOSA-N 449.563 2.016 30 10 IEEE COCc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769358137 MPNCSYHTQNJRRM-NFBKMPQASA-N 441.532 2.242 30 10 IEEE CCOc1ccc(O[C@@H](C)C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1 1851216420 YELQPGBWSYFGSB-INIZCTEOSA-N 434.500 2.381 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1852293443 UDKFMDVCMFFVFZ-OAQYLSRUSA-N 442.516 2.199 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3Cl)CO2)nc1 1853303964 VGUWQOSZCXADNZ-WMZOPIPTSA-N 426.860 2.461 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C2CC3(COC3)C2)CC1 1855574752 WUHQFJOKLXOZEY-UHFFFAOYSA-N 430.526 2.260 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)CCC#N)[C@H](C)C2=O)cc1 1856292412 HRFXECPQNMNSBO-DLBZAZTESA-N 434.562 2.082 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(CC)nn2CC 1864326668 IMTHHUROPHTPKH-IBGZPJMESA-N 439.560 2.403 30 10 IEEE CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCOCC1 1870324662 UPLBRDNYRXKVBH-UHFFFAOYSA-N 442.541 2.140 30 10 IEEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN(CCO)CCO)cc1 1870350716 SDTRAJFQPDZPFK-UHFFFAOYSA-N 447.535 2.442 30 10 IEEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN(CCO)Cc1ccccc1 1870630602 WLQROINYZSOSQY-UHFFFAOYSA-N 427.545 2.276 30 10 IEEE COc1cc(C(=O)N2CCC(COc3nccnc3C#N)CC2)ncc1Br 1891289218 BCCMOHKINKUVEG-UHFFFAOYSA-N 432.278 2.446 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2124540434 HIVBMZPXVKDWDK-WFKRUUOSSA-N 448.369 2.421 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778966 WIFYVXUXUYHSPE-GFCCVEGCSA-N 447.204 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)C#Cc2ccccc2Br)C1 2227491166 PCASCAYIVUYKLN-INIZCTEOSA-N 442.331 2.404 30 10 IEEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390554 XNLFUJAJWDNQEA-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE CC(C)(C#CC(=O)N1CC(COCc2ccccc2)(C(=O)O)C1)NC(=O)OC(C)(C)C 2248484463 VSNDVPWACDPUAI-UHFFFAOYSA-N 430.501 2.423 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC[C@H]1NC(=O)C(F)(F)F 2255708481 KAQBTPXYCPLWSK-NWDGAFQWSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2255810697 MFHUKBCZWVTRNO-ZDUSSCGKSA-N 448.354 2.027 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255836267 WDFMUISZGVBBTH-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256606354 SNLMABHGVAFJMU-BFYDXBDKSA-N 436.358 2.441 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126250 ZOOUENZTNCONKU-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)cc1B1OC(C)(C)C(C)(C)O1 2267129862 HCBJZWQVJAOFHB-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267184079 KSRHGTYNVBRZCZ-KDURUIRLSA-N 436.365 2.208 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CC1 2267184963 PQROWYDRUNYKCW-FQEVSTJZSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267185101 QNLPMRCRCZLPHG-GOSISDBHSA-N 438.381 2.313 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCCC23OCCO3)OC1(C)C 2267367827 ZITJNYTXAGRHJK-AWEZNQCLSA-N 429.369 2.011 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267522132 SPPMCQZUQWOCLA-CABCVRRESA-N 448.373 2.203 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267542813 XOFWGILJSZIVDA-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)N2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267552920 WMWHXIIHHDYJEI-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)o2)OC1(C)C 2267557350 NEAPDVITVYMYPH-QUCCMNQESA-N 438.333 2.304 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)[C@@H]2C1 2267728749 ZIYHUIHOJPCLNF-HZPDHXFCSA-N 444.337 2.287 30 10 IEEE COCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1 2331293330 XIXIDPFXQRDYHN-UHFFFAOYSA-N 433.534 2.301 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20806272 ARUVIDIUOXKJJC-SRZZPIQSSA-N 427.490 2.273 30 10 IEEE C[C@@H](NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 29193821 DGOQUBSPDMLQDT-QZTJIDSGSA-N 426.542 2.130 30 10 IEEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)cn1 302252319 XGJUVAJJFVWHKK-UHFFFAOYSA-N 442.726 2.275 30 10 IEEE COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)[C@H](C)n3cnc(C#N)n3)c2C)c1 409906311 OQBQIAKGYCMGKK-QFBILLFUSA-N 435.488 2.122 30 10 IEEE N#CCCn1cc(CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(-c2ccncc2)n1 434983046 PBGPGPLYYNBNAU-UHFFFAOYSA-N 448.552 2.435 30 10 IEEE COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O 474196033 ZMDFVDDWHXCVDH-AWEZNQCLSA-N 439.902 2.144 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H]1c1cncn1C 475462930 UJDHZWRSBFLVOJ-AUSIDOKSSA-N 434.544 2.330 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 475548785 OIAXRKNXVZIOFI-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Cc3ccc(I)cc3)CC2)n1 485970343 MQAGKCVEYWLYCE-UHFFFAOYSA-N 432.265 2.449 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@@H]1CCCO1 486837361 AQDCGBRFLFHHPJ-ZDUSSCGKSA-N 436.455 2.234 30 10 IEEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 509470960 NXIBLIKZGSWRME-IBGZPJMESA-N 440.525 2.054 30 10 IEEE CCc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnc2c1c(=O)n(C)c(=O)n2C 513776060 ZGWCRLDRMWDRCA-CQSZACIVSA-N 446.294 2.496 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 523255695 CHSIHKKEIHQMMT-UHFFFAOYSA-N 447.491 2.009 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)CC2)n1 546929175 KBLHJCJVDSZFEF-UHFFFAOYSA-N 442.405 2.907 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(CN4CCOCC4)cn3)CC2)c1 583782432 LPFCGFHVCWQXBH-UHFFFAOYSA-N 433.512 2.276 30 10 IEEE C=CCn1c(Cc2noc(-c3ccc(C)nc3OCCC)n2)nnc1N1CCOCC1 583960176 OCHSEOCSDFNLPT-UHFFFAOYSA-N 425.493 2.434 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1CCC2 586347129 JVPLKICOOFIVSH-SSEXGKCCSA-N 443.506 2.009 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 588110662 IPXMXDFJFKCNRY-UHFFFAOYSA-N 427.408 2.348 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@@H]1CCCO1 603798500 MEDZOLLMRINAHB-IBGZPJMESA-N 439.581 2.125 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)ccc1Cl 604031794 OCLFAVVVSKOGDC-UHFFFAOYSA-N 440.890 2.328 30 10 IEEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 619105739 KGYSFISFJJWPRN-HXUWFJFHSA-N 437.569 2.462 30 10 IEEE CC(C)CN(C(=O)CON=CC(=O)Nc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 742362316 GWJUPWUCMMEFSN-AWEZNQCLSA-N 447.916 2.092 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 747335533 FBCQMFJRSLHLBR-UHFFFAOYSA-N 448.495 2.290 30 10 IEEE CS(=O)(=O)N1C/C(=C/c2cnn3ccccc23)C(=O)/C(=C/c2cnn3ccccc23)C1 747440812 VRGBQAJTEOVKBC-OMYAATJGSA-N 433.493 2.293 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(-c3ccccn3)c2)c1=O 747807139 JBGLCDRQHPUOLC-UHFFFAOYSA-N 445.544 2.490 30 10 IEEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 755809768 OWSFEKAPEBYAPZ-HNNXBMFYSA-N 434.345 2.362 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c(OC)c(OC)c2)c1=O 758070906 ITCWWMZNPQWTND-UHFFFAOYSA-N 442.924 2.086 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n([C@H]3CCOc4ccccc43)c2=O)c1 763457787 HDUUNLCRILYRFC-FQEVSTJZSA-N 445.544 2.492 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 777761908 QZTFJHCOTSWPJG-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 780416240 MXRYOKAQGLGUSE-UHFFFAOYSA-N 426.517 2.128 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)CCC4)c2=O)c(C)n1 781661623 KROHITLXQGGLAK-UHFFFAOYSA-N 428.517 2.435 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 788015557 DQFVUGMCUOVTGV-UHFFFAOYSA-N 448.570 2.025 30 10 IEEE CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cn2ccccc2n1 788407730 FNNDVZFNJSJMFA-UHFFFAOYSA-N 444.473 2.100 30 10 IEEE C[C@@H]1CCC[C@@H]1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 798362150 CEXSYFMBMMTUFJ-CRVIUMEJSA-N 445.633 2.428 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c1 800352704 JSLVVMPKHWPMRB-SFHVURJKSA-N 426.542 2.151 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 802563000 GRQXCKKQJJYGKZ-MOPGFXCFSA-N 446.596 2.490 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802721791 GCKOCBBDEVAGGZ-UHFFFAOYSA-N 445.548 2.166 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 805785661 ISMHMWBMTJOMQU-KRWDZBQOSA-N 444.513 2.344 30 10 IEEE C#C[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccc(Cl)cc1 811947395 DUUAEERAUUTHIL-GFCCVEGCSA-N 434.681 2.037 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@H]2CCCC[C@H]21 813980211 WGZZMWBQXHQLOT-OIISXLGYSA-N 434.518 2.326 30 10 IEEE COc1cccc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1 1084213992 SIMGIPOHQMFBSB-UHFFFAOYSA-N 440.485 2.397 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)N[C@@H](C)c3ccccc3)n[nH]2)cn1 1084424433 PRBGISJIUVPLFR-AWEZNQCLSA-N 428.522 2.063 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CCOC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1122643721 MCIUTQVSNWFEMA-PKOBYXMFSA-N 443.500 2.480 30 10 IEEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1135347436 FKSJMEDJABVYDV-GFCCVEGCSA-N 438.855 2.230 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-n2ccccc2=O)cc1F 1147097994 OVHRFWFSRQNQFQ-AWEZNQCLSA-N 440.456 2.154 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(C#N)CCCCC2)c1 1167053035 JYUHJJNXIZQCIT-UHFFFAOYSA-N 434.562 2.037 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272328 GMSXBWDQAPEIOO-AWEZNQCLSA-N 448.472 2.140 30 10 IEEE CC(C)O[C@]1(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCOC1 1209025183 DQUIRCUIRYSKBM-OAQYLSRUSA-N 435.546 2.123 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1225937236 IILCADZREZQFDL-RCCFBDPRSA-N 439.520 2.298 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)N1c2ccccc2C[C@@H]1C 1228456148 BDMJXWVWMWXBFA-CWLKWCNXSA-N 441.532 2.411 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1286348161 UAYPWEIURDJWBK-UHFFFAOYSA-N 433.520 2.418 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286383780 FQXCRERVEZCLMA-LJQANCHMSA-N 435.638 2.467 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286418529 LCQGSTSYCJHXGO-RUZDIDTESA-N 447.539 2.436 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286447717 RJEPHZSBLMOXGV-HSZRJFAPSA-N 430.556 2.338 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1286451103 IEXLHZFSEZNOPF-ZBFHGGJFSA-N 428.468 2.005 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2Br)CC1 1286477335 XLNMBLWMMFTOCC-UHFFFAOYSA-N 438.333 2.301 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286504303 PVAXFCXVYHEZQP-UHFFFAOYSA-N 446.602 2.039 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286541081 GOJZCCRNSMNZHY-YUELXQCFSA-N 445.383 2.093 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1286581887 WTQRUNFYQCSWKQ-GOSISDBHSA-N 435.550 2.084 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286710926 GEBXLCAFHSJTRN-HNNXBMFYSA-N 425.459 2.401 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)C1 1286809883 LVBXEGMGPKPKRU-APWZRJJASA-N 441.532 2.344 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286969991 TUVFMVWWNWEFAW-VQIMIIECSA-N 431.562 2.361 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1288974414 DYTARZSWLHENIC-FOIQADDNSA-N 444.517 2.418 30 10 IEEE CC1=C(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)[C@@H](C)n2nnnc2N1C 1297321685 HECQLQSVMPMEOP-PBHICJAKSA-N 426.912 2.020 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Br)cc1 1298542225 UCQGXMBNEZJMRE-IAGOWNOFSA-N 446.276 2.053 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300495104 CSPPLNWCANIBJP-RTBURBONSA-N 435.638 2.368 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1300538964 WMZLIMZPWHUWOA-INIZCTEOSA-N 441.513 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCOCC1 1300574625 DRNFVYVSRVRWNP-NRFANRHFSA-N 443.555 2.314 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@H]1COCCO1 1300605186 YQUQVUVMFHOMAI-KRWDZBQOSA-N 430.505 2.236 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNC(C)=O 1300626764 WFRFNCRQUPRMAX-UHFFFAOYSA-N 432.569 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2cccc(C)c2)CC1 1300719592 HVCMBFMKNFMXAL-UHFFFAOYSA-N 445.527 2.088 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](Cc1ccccc1)OC 1300780524 RYKHAQFGGYEVJX-LQBOVUBWSA-N 445.589 2.138 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300985671 UDLGUHVHFMANJR-ZHRRBRCNSA-N 440.504 2.042 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1301003156 FCSDFWOIBHFUCX-GOSISDBHSA-N 428.537 2.177 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1301004167 UMQAWFSUEDHQEI-SXLOBPIMSA-N 425.533 2.430 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1301372460 MMZWWQURZYJBAV-JTQLQIEISA-N 428.303 2.054 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301499043 WJVMDGFYYBFFNT-GOSISDBHSA-N 426.569 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301588091 VFDPEMIRTAVNGR-HNNXBMFYSA-N 437.532 2.150 30 10 IEEE COCCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1301692498 YWUKLVMASGDJGB-ZPHPHTNESA-N 430.896 2.208 30 10 IEEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1304586425 DGVQKPAFYNDKTN-SFHVURJKSA-N 426.546 2.255 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 1306378777 LYGNAYHAAJKPNV-JOCHJYFZSA-N 438.569 2.307 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 1308997546 KZSSYWSNHAKIAT-UHFFFAOYSA-N 432.567 2.487 30 10 IEEE C#C[C@@H](NC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(Br)cc1 1312127275 GQFBYUJSCNPNPJ-HZPDHXFCSA-N 430.306 2.270 30 10 IEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1314230866 BUXIKPYTHIAKAT-UHFFFAOYSA-N 446.515 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1358896438 DAXLUQAKDUBCDG-VQTJNVASSA-N 439.560 2.427 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1358903893 MPWDGNAISPEAGY-OAQYLSRUSA-N 438.576 2.075 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358908056 KGTXDGKNIHHKJG-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358909790 RSHATNTXWIAEHM-KRWDZBQOSA-N 431.562 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1358973750 DSLMTVYQVOUWDT-WOJBJXKFSA-N 443.559 2.114 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCn2ccnc21 1359019393 UJBAUOBZZAIYEW-AUSIDOKSSA-N 442.564 2.179 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cn2ccsc2n1 1359019511 WYQSFXTWPCQEMX-OAQYLSRUSA-N 444.561 2.162 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)on1 1359023362 IGNIJEJQIYXHRK-UHFFFAOYSA-N 447.499 2.106 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCN1CCOCC1(C)C 1359025242 ICYGNVNVGKFPBW-UHFFFAOYSA-N 429.540 2.205 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(F)c1 1359048864 CMGJXXHLCMBQSX-CYBMUJFWSA-N 443.545 2.169 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO1 1359065783 BMMYASYGBNVZKE-XMSQKQJNSA-N 443.573 2.367 30 10 IEEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1359237925 RXXCVOUOTONYGB-UHFFFAOYSA-N 446.602 2.427 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1359268194 HPVSUNATWWWMLC-UHFFFAOYSA-N 437.591 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCSC(CC)(CC)C1 1359298599 FYVLFLRVQXGEAX-UHFFFAOYSA-N 446.577 2.420 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1359306388 DYTCAHBBNLUXBY-DSKINZAPSA-N 441.532 2.351 30 10 IEEE CC(=O)N1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)CC1 1359366306 BHKFDVWKJCFYPI-OAHLLOKOSA-N 443.577 2.124 30 10 IEEE C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1359478125 NACBTAAGAPOKSE-QGZVFWFLSA-N 439.564 2.221 30 10 IEEE C[C@]1(C#N)CN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CCO1 1439710175 PVGYJOJRPSWQHY-NRFANRHFSA-N 440.481 2.296 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)cc1 1441671531 XXQQHKQOXYMRSX-JJIBRWJFSA-N 447.517 2.430 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc([C@H]4CC(=O)NC(=O)N4)cc3)ccc2c1=O 1453985196 HIKYNPIVNRKYGU-MRXNPFEDSA-N 449.492 2.394 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1454493882 JEASCUZDYIMHJK-OAQYLSRUSA-N 433.512 2.463 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 1461384601 CGPZTXMMMZJZHI-GOSISDBHSA-N 429.473 2.311 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@H]3CCCCC3(F)F)CC2)cc1 1462786064 AYIICWGNYLRJDK-MRXNPFEDSA-N 447.529 2.020 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)n1 1465988057 IDCAVRHSQWPVGW-INIZCTEOSA-N 426.868 2.350 30 10 IEEE C[C@H]1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C(=O)OC(C)(C)C 1469227726 YPILHCHPICACFI-KHYOSLBOSA-N 449.573 2.473 30 10 IEEE CCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1470875951 IUNKHDWNXNVYKU-UHFFFAOYSA-N 425.551 2.444 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)nc1 1471984194 QZEJNZDGIKVQSJ-YVWKXTFCSA-N 434.418 2.167 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1475797335 JKTTWNIWLQMZJQ-IAGOWNOFSA-N 435.546 2.088 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCN/C(O)=C1\N=CC=CC1=O 1492575764 YLONSOGICQHSLV-BFQBXFRASA-N 433.516 2.442 30 10 IEEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1492608485 BUGOUDLFCNMWQJ-SFHVURJKSA-N 426.546 2.255 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC(C)(C)C2)cs1 1492675210 PXULHGDOZDGDAY-HXUWFJFHSA-N 433.557 2.187 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494265812 SIRMLSBKKCRKRT-AOMYARPXSA-N 442.907 2.350 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CCc2cn[nH]c2)CCO1 1505322503 PEFJFZVPSXAAOB-AWEZNQCLSA-N 428.294 2.402 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCN2CCOCC2)c1 1507549196 YYHFQSUBPJFEGG-UHFFFAOYSA-N 438.576 2.354 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(S(C)(=O)=O)CC1 1507602167 MPAHRYAEUIBLRD-MRXNPFEDSA-N 432.546 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1507627522 KBFZJOABASEPOK-AVRDEDQJSA-N 446.573 2.132 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507747417 JOOSIKNNUSROMH-MRXNPFEDSA-N 431.587 2.443 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 1507805676 NFKDCGTURUFLTL-SCTDSRPQSA-N 426.521 2.379 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCOCC1 1508006332 OXUCURDBEUTWRK-UHFFFAOYSA-N 444.605 2.491 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1508042096 YVMPNZFCRFSAKD-MRXNPFEDSA-N 444.502 2.142 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508138097 WEKOEQATFDSNLB-QGZVFWFLSA-N 441.561 2.058 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1508412241 ABIXSVJODXQANI-IERDGZPVSA-N 448.593 2.198 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OCCN(C)C)cc1 1511886256 HBFKWFJHRUOASU-UHFFFAOYSA-N 446.559 2.169 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)C1CCCCC1 1513925977 ZDBDUSVYVUENFJ-GOSISDBHSA-N 437.596 2.482 30 10 IEEE CCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1514479318 IKSOPSLMMCLAKQ-JOCHJYFZSA-N 425.537 2.324 30 10 IEEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 1529289733 IIUNENVOKQXCKO-WDYCEAGBSA-N 433.530 2.361 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)C(C)(C)C 1538983076 NKQPBPJRZOCEJC-JMGYQRAPSA-N 436.603 2.354 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)c1ccc(F)cc1 1539284578 RNVMXPVVACANQE-KPDCDPCYSA-N 426.492 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539413370 IFXCEPQJDOKZCP-CEXWTWQISA-N 445.564 2.266 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1539477794 YWVRMOUZMNENLJ-WZONZLPQSA-N 437.548 2.049 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](OC)C2CC2)CC1 1539481453 ACEXESDLBXFLDK-OAQYLSRUSA-N 439.535 2.399 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539490485 WIFBRGYEVMTYHE-JPYJTQIMSA-N 429.565 2.037 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1539512663 FVUGQXBHVRGHQW-HXUWFJFHSA-N 438.557 2.329 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1539513414 JHLUUOBNFPBUQI-GOSISDBHSA-N 427.578 2.017 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)CC 1539570293 RCBBSAMNJXDVKK-CBGDNZLLSA-N 437.610 2.128 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539632390 RFLGBFZSWRTOGZ-QRVBRYPASA-N 431.581 2.458 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539744288 HKOSNRNZOVHVFS-UHFFFAOYSA-N 425.599 2.389 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539917107 RPDLUGHCQQZWMO-IBGZPJMESA-N 432.613 2.375 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1540071592 GPLHMJOQAYJAQO-CABCVRRESA-N 433.525 2.059 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1540872242 HUCMKMKRGOMGCK-UHFFFAOYSA-N 446.939 2.103 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC2CCCCC2)CC1 1540873484 ZBIHDEKWAGKCQU-UHFFFAOYSA-N 437.592 2.268 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccsc2)CCOC1 1541732786 HKLJTSUPOAIZLB-DUXKGJEZSA-N 447.561 2.017 30 10 IEEE CN(CCN1CCCC1=O)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1543565260 PVPQJWMAMYPQFE-FQEVSTJZSA-N 426.517 2.473 30 10 IEEE CCOCc1nnc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1Cc1ccc(C#N)o1 1548179062 RLNSPTLGRBCNGV-UHFFFAOYSA-N 438.536 2.000 30 10 IEEE COCCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1555486150 GKPCSRZUFQWJQI-QFIPXVFZSA-N 428.585 2.238 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCc2c(O)ncnc2C1 1556191881 UYXQUYAQDHWYOJ-LJQANCHMSA-N 435.484 2.473 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CCO2)cc1 1560182491 KFIMIZSRNGFUMJ-RPWUZVMVSA-N 447.514 2.480 30 10 IEEE CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1565650843 FTONFKHDOWOCMW-ZVLZEYJHSA-N 434.581 2.342 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCN(C)CC1 1583869888 HHPTXBBIKWUUDE-KRWDZBQOSA-N 437.972 2.486 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)c3ccccn3)CC2)c1 1586334323 UFNSKFALGKYOEW-UHFFFAOYSA-N 426.498 2.242 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1587651305 LNDFXAYBHOOCMM-IERDGZPVSA-N 446.646 2.300 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1N1CCOCC1 1588113687 QCPMWLUPBFKVLC-UHFFFAOYSA-N 437.507 2.169 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CC(F)(F)CO2)CC1 1588848566 ITFPNSLUFQSQKO-GOSISDBHSA-N 431.487 2.057 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN2CC=CCC2)CC1 1588914155 YLFUDZMACZLBMS-UHFFFAOYSA-N 436.535 2.312 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594545011 PQLUDVYSQKNPTK-LEWJYISDSA-N 439.560 2.437 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)C 1595085436 VOEAEVQMYSHAKC-QHCPKHFHSA-N 438.532 2.083 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1595501592 YVFGZIINYWPYKH-UHFFFAOYSA-N 434.500 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1595507195 ZIFUMRUACHCVIN-JOCHJYFZSA-N 429.521 2.270 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(n3c(O)nc4cccnc43)CC2)c1 1595714329 UBKCUJPXKLFNHC-UHFFFAOYSA-N 443.460 2.051 30 10 IEEE C#CC1(O)CN(C(=O)[C@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 1603205428 OWWIFHHIQGBFAI-LJQANCHMSA-N 427.298 2.056 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cccc(C)c2)CCOC1 1616141784 GWKPQACNAUWPRF-MBSDFSHPSA-N 440.548 2.265 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCCO[C@H]1CCOC1 1617868517 DINDGSSSFWHJFO-FQEVSTJZSA-N 438.532 2.218 30 10 IEEE CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618514082 DDEGIDXBDXHTQH-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE C#C[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1618915974 IKSVQRCUVAHDDV-GOSISDBHSA-N 432.590 2.211 30 10 IEEE COCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620076036 SOMPOPWJICNKLI-UHFFFAOYSA-N 437.504 2.103 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)NCc3ccc(C(=O)NO)cc3)cc21 1626243028 ZFWWEFKZIIPWRB-HNNXBMFYSA-N 429.477 2.292 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)C[C@H]2COc3ccccc3O2)s1 1628119111 USDPFDIMIMWEMN-HNNXBMFYSA-N 436.555 2.443 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)c1 1633603411 GJOBSMBRKFLTRB-UHFFFAOYSA-N 438.868 2.250 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 1634109280 YSGAQHHRRUBQDO-GBESFXJTSA-N 425.489 2.400 30 10 IEEE C#CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CCN(C)CC1 1635684352 WDNCQJKOSAOPIG-UHFFFAOYSA-N 433.555 2.424 30 10 IEEE CCOc1cccc(N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1637402691 GXZAPZQKAXDISC-SFHVURJKSA-N 433.512 2.490 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCOc3cncc(Cl)c3)C2=O)cc1 1640524214 MRZUFPNJEUZDBQ-QGZVFWFLSA-N 427.848 2.007 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N(CC(F)F)C[C@@H](C)O)cc1[N+](=O)[O-] 1640789580 QLXHDNLTYMEQJY-GFCCVEGCSA-N 437.403 2.469 30 10 IEEE N#CCCn1ncc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1-c1ccccc1 1641800758 NAAQLJGNPDDXPA-UHFFFAOYSA-N 441.538 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C1 1642605849 BONQSLVHGMVOIV-GMAHTHKFSA-N 444.507 2.441 30 10 IEEE C#CCOCCN(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1645173061 AMPASPJGZIIMPM-UHFFFAOYSA-N 427.954 2.035 30 10 IEEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1647932441 BKUTUPAOFAZMTB-UHFFFAOYSA-N 447.524 2.354 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC4(CC3)CC(=O)C=CO4)cc2F)C[C@@H](C)O1 1655740204 OBKWMHBILNBWBR-HDICACEKSA-N 445.535 2.393 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1659142581 OJHQYAOIGJCPEU-CEXWTWQISA-N 433.574 2.158 30 10 IEEE C[C@@H](NC(=O)CNC(=O)CNC1(c2ccc(C#N)cc2)CCOCC1)c1ccc(F)cc1 1659750879 NORCOJCBVNCOOC-QGZVFWFLSA-N 438.503 2.286 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3cc(Cl)ccn3)CC2)CC1 1660237186 BKKISNNJXPOMLR-GOSISDBHSA-N 444.992 2.328 30 10 IEEE Cn1c(=O)sc2cc(S(=O)(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)ccc21 1660496191 FBGNQLHPYRYJQC-SFHVURJKSA-N 428.539 2.171 30 10 IEEE C=C[C@H](CO)NC(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 1672114000 XYBBZAZRTIRGFK-QGZVFWFLSA-N 434.537 2.287 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)n1 1684538868 PGNJGSLNTFATPQ-QYZOEREBSA-N 431.537 2.215 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCC1CCN(CC(F)(F)F)CC1 1689943119 LWAVUJRWGVMOSS-UHFFFAOYSA-N 426.487 2.248 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N(C)C2CC2)CC1 1690113883 XDCPIJCFCIOPCI-OAHLLOKOSA-N 446.397 2.274 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](OC)C(C)C)CC1 1690123942 ABNFQZJHHAZVOL-NHCUHLMSSA-N 425.533 2.217 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1690258387 DROZTSHQJUIUGW-ZWKOTPCHSA-N 434.562 2.291 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690303117 SAHYBKRYTCEMIQ-KDURUIRLSA-N 446.504 2.125 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1690334069 CSBNGRJFQJAHMG-AWEZNQCLSA-N 425.942 2.173 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690470511 DHJXSKGRQKTNOI-FRRDWIJNSA-N 425.477 2.011 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690715827 VWRBKTRQEOHHJQ-JXFKEZNVSA-N 426.583 2.167 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705517063 NUAFCRUWLDJTFV-VQIMIIECSA-N 432.546 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1705565062 SAMNWRBVIBWYQT-OXQOHEQNSA-N 431.587 2.253 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1705583474 YZMURFAVWIBSDN-QFIPXVFZSA-N 432.572 2.067 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)Br 1705596289 ZRSDZALEZVOWOI-UHFFFAOYSA-N 440.248 2.456 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705663209 ZMBYTCRGXWUUKA-LJQANCHMSA-N 432.575 2.031 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705812385 YHRGSKJFFIJCSX-QRWLVFNGSA-N 437.541 2.092 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705828761 YAOSEYBYSYHMBW-SFHVURJKSA-N 435.532 2.390 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1705901940 ADRPECDHHKXTQF-ZDUSSCGKSA-N 435.887 2.429 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1705903454 WNFOZOKAJWJXRX-SXLOBPIMSA-N 425.533 2.441 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1706165246 CBPUMKFIUGCQMQ-ZDUSSCGKSA-N 437.451 2.162 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1708603409 FOXODCYLACHMLK-MSOLQXFVSA-N 448.579 2.380 30 10 IEEE CCc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1709146854 YDOQJUJZENAKRN-QZTJIDSGSA-N 439.564 2.170 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC1 1710568508 FMRQUEZQMPOEEG-IBGZPJMESA-N 440.548 2.470 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1711128928 UOPDNNVECGFEBK-UHFFFAOYSA-N 428.447 2.387 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC=C(Br)C2)C1 1711273723 GBSUCJXIHKSURT-HXUWFJFHSA-N 443.349 2.372 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1)OC 1712160460 ASUWKBOYDNLHEW-OAQYLSRUSA-N 442.564 2.311 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1 1712501870 GLDWVJYWCNFQDM-UHFFFAOYSA-N 449.515 2.141 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1712796761 INWUUBGRTCGHNC-LZICOFPGSA-N 441.561 2.444 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1722313520 BKUBQCJFIWMYQK-UHFFFAOYSA-N 449.559 2.204 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359131 QDKKGFLVCTWTIY-RBUKOAKNSA-N 435.638 2.467 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722382240 GPZPMDZHOZQIDD-MRXNPFEDSA-N 437.491 2.405 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1722421495 RBRDXIYOUSEUHY-UHFFFAOYSA-N 430.516 2.269 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC(F)(F)CO1 1722424014 YFHOJEGMUVCJHQ-INIZCTEOSA-N 434.443 2.227 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1722432886 IDTAMOLZCATYNZ-QDSKXPNFSA-N 445.608 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1722445890 DPGXRTXXRAFRDR-OAQYLSRUSA-N 449.603 2.426 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1722476121 YXFPHADEOHBMDN-YLJYHZDGSA-N 449.602 2.021 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](n2cncn2)C1 1722491514 LSJFTKPEGILAMC-YRPNKDGESA-N 445.568 2.416 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722510998 WSNAESWLRUWOCS-LBKNJMOBSA-N 433.578 2.465 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1722513498 XWPBAYNEBZFFRK-QHCPKHFHSA-N 438.532 2.400 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722591718 RMEHQMVODVSISP-AWEZNQCLSA-N 435.550 2.231 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722743497 CFNSKCSMTWJQTN-GOSISDBHSA-N 428.562 2.406 30 10 IEEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1728737168 GDWHNSLFWSPFLS-PMACEKPBSA-N 437.548 2.482 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1728760845 HVGZOGYEJJZNFS-BTYIYWSLSA-N 430.484 2.304 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1729177667 OKBUSRCKEBTVHW-LEWJYISDSA-N 441.532 2.254 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1740581834 HCWKIWCVDCSACC-OAHLLOKOSA-N 427.505 2.051 30 10 IEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)CC1 1740583198 WIZZFZCRPRWYGU-UHFFFAOYSA-N 432.322 2.456 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740623987 BQJUMPIKJCWCFC-SIKLNZKXSA-N 446.548 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CCCC1 1740642596 SFQGMGRFCZXKPE-UHFFFAOYSA-N 431.587 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCC[C@@H](C)C2)CC1 1740705206 CPYJTZNRXLGTPQ-CTNGQTDRSA-N 442.608 2.217 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1740888233 RKDXWTZKAOATLZ-GCJKJVERSA-N 427.505 2.085 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1740923253 HPTSFNGXNSXMPC-OAHLLOKOSA-N 447.590 2.094 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1740960899 FMQNRVYBGDOORE-UHFFFAOYSA-N 426.565 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740989301 IKDRGWRORRMHTF-UHFFFAOYSA-N 445.589 2.241 30 10 IEEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741115179 PVAJKNONGJVRMO-UHFFFAOYSA-N 446.559 2.004 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC1 1741124944 HKDLANDIUAHARR-INIZCTEOSA-N 425.493 2.314 30 10 IEEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1744804269 JDCNLQOHFWGNMQ-QFBILLFUSA-N 446.577 2.293 30 10 IEEE CC/C=C/Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745071358 BQFSMBFBOZZZKX-VDZMMWBESA-N 440.552 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@@H](C)CC 1748648891 GHMQFBLGBZGOLC-PNLZDCPESA-N 447.605 2.450 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCOC1 1748876718 QRHHAQWRRQVDCP-XMMPIXPASA-N 438.528 2.355 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC[S@@](=O)CC)CC1 1748978228 IOTWSVHCKNAUKV-HKBQPEDESA-N 436.585 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(OC)ccc2OC(F)F)CC1 1749015167 UPMKLCXYPLBFLC-UHFFFAOYSA-N 447.486 2.465 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1749152675 CCBBPOCOAZAREJ-UHFFFAOYSA-N 436.607 2.121 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1749732542 YPQFNTAKRYBXIC-UHFFFAOYSA-N 447.561 2.092 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1750490475 IDDHWFIEXCSWGF-KSZLIROESA-N 446.552 2.158 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750855846 GJUFDSTYHRKJHA-VRTBNJGNSA-N 430.553 2.353 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCN(c2ccncc2)CC1 1751098633 KPBLMLXQJDNIBD-TZIWHRDSSA-N 438.580 2.475 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1751190983 DNZWZQKECXQTFC-YJBOKZPZSA-N 430.534 2.089 30 10 IEEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1752405955 UACGUGKKPHKLAG-XTPAXOCXSA-N 441.580 2.066 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760181646 YZVKJKOVIDPDHC-QUCCMNQESA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760185255 TZMVQZXDMAAVEO-SJORKVTESA-N 432.521 2.138 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760282845 SHRNCMPKLYHITA-UHFFFAOYSA-N 447.992 2.184 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1760295052 MPJMDZASKUSJHF-HTAPYJJXSA-N 445.564 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760299162 KLLAWXVPCCCPBA-GPMSIDNRSA-N 427.471 2.385 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1CSC 1760300538 HOZDFCGWMXXOTM-NEPJUHHUSA-N 438.417 2.129 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC)[C@@H](C)C1 1760516190 XPOJTGGMSFGIPR-KRWDZBQOSA-N 434.548 2.168 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1763699933 DDHBFJHKYGPDBP-SFHVURJKSA-N 447.547 2.126 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1764460047 LUECAQRTNFSOTO-UXHICEINSA-N 426.569 2.133 30 10 IEEE CCCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1764529942 ICSYIJHFWXYZTN-KRWDZBQOSA-N 426.521 2.428 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1768802579 PYQVHWHXZRMMOP-TZIWHRDSSA-N 441.532 2.397 30 10 IEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCOCC2)cc(OC)c1OC 1769797727 CDTFCCJTJOFOFH-HNNXBMFYSA-N 445.520 2.251 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCn1c(O)nc2ccccc21 1769846684 CMWRFXUXMDUDLR-GOSISDBHSA-N 425.493 2.252 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1772566868 WKXPIHPIYUMWRM-UHFFFAOYSA-N 428.581 2.467 30 10 IEEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(CC(=O)N=c2[nH]oc3ncccc23)CC1 1853317635 KMAGTKGIYFKDPJ-UHFFFAOYSA-N 439.479 2.339 30 10 IEEE CCN1CCC[C@@H]1CN(Cc1cn(Cc2ccccc2)nn1)C(=O)c1cnc(C#N)nc1 1853484363 OFYHFQQUSRVSTA-OAQYLSRUSA-N 430.516 2.115 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(O)c2)c1 1862554794 LAVGSXAVTMKNRO-NRFANRHFSA-N 437.496 2.275 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866930110 YDHMRPODKLQELW-PZJWPPBQSA-N 439.537 2.439 30 10 IEEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868794732 FQUSXETZCFNTQJ-RBUKOAKNSA-N 431.606 2.084 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc(OC)c(Cl)c3)CC2)CC1 1889354683 RUUOEAPULLEWIE-UHFFFAOYSA-N 434.968 2.006 30 10 IEEE CCN(CC)CC#CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(OC)c2)cc1 1891307353 XDZYDIIGGRJNQV-UHFFFAOYSA-N 443.569 2.249 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(n3cncn3)CC2)[C@@H]1c1ccc(C#N)cc1 1892111641 XTSJQCSBVBPTMA-SFTDATJTSA-N 438.557 2.407 30 10 IEEE CC(C)(C)OC(=O)N1CC2CC1(C(=O)Nc1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2060636631 AAKKQPNEJVEBGJ-UHFFFAOYSA-N 430.314 2.114 30 10 IEEE CNc1nc[nH]c(=NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1C#N 2084720833 BYONUBVXPOHIIA-SFHVURJKSA-N 437.548 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]12 2124521370 FZZXHDYYRIOUBM-LVQVYYBASA-N 444.341 2.264 30 10 IEEE C=CCC1(NC(=O)[C@@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2246477713 VLQAXTPYBOPPKD-CVEARBPZSA-N 439.553 2.429 30 10 IEEE Cc1nc(C(=O)NCCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247836941 KMVOHSUIORUBAL-UHFFFAOYSA-N 441.359 2.327 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247893368 QOOHRWFLLYXFIH-ZDUSSCGKSA-N 440.371 2.005 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247918666 MKAASFFGQSXDAW-DABQJJPHSA-N 435.355 2.037 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C(C)(C)C 2247951788 KVGVXVUTFPFODG-UHFFFAOYSA-N 434.371 2.104 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255594794 FHCQURZZYXADFM-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC1(C2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)COC1 2255611356 HPDXUPWQSHLPIZ-UHFFFAOYSA-N 434.342 2.154 30 10 IEEE CC[C@H](CN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255649991 APFUZLUWTKSGKR-CQSZACIVSA-N 436.362 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C 2255831145 QRZOKOQGQYFERX-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2260847452 XVXRFXZXBKDIDL-BBWFWOEESA-N 434.342 2.152 30 10 IEEE CCN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267008978 IZVUHKNDPANWRN-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)OC1(C)C 2267267705 LTUMOQZOXSAQFZ-LJQANCHMSA-N 436.365 2.418 30 10 IEEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267268371 UBLDRVOSVGAWFT-MJGOQNOKSA-N 436.365 2.416 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267274079 VKHOWAUMOUJZDQ-RDJZCZTQSA-N 445.369 2.406 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@@H]2C1 2267282383 BZAVSNRKXMWGLC-GDBMZVCRSA-N 448.325 2.039 30 10 IEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267600416 FTSKXRFAOJINLH-MRXNPFEDSA-N 449.357 2.337 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073230 HXFHOFLOUHVDRF-KXBFYZLASA-N 440.305 2.169 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCC3(CC2)OCCO3)OC1(C)C 2282861147 KULHIQRAPAZTQG-CQSZACIVSA-N 443.396 2.401 30 10 IEEE C[C@@H]1CC[C@H](C2OCCO2)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282862219 ZRLUWDPSLLXTCB-UKRRQHHQSA-N 443.396 2.209 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2300340669 UROCIMORAROZLN-MPBGBICISA-N 435.355 2.182 30 10 IEEE CCOc1cc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)ccc1O 2329175855 YWOUGDSBMYCYQU-UHFFFAOYSA-N 441.513 2.464 30 10 IEEE Cc1cnc(C(=O)N[C@@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2343462679 UAUAHJPNYALCRT-IBGZPJMESA-N 440.349 2.387 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c1O 21319108 MCFWNTJCKZJQNR-XIJPWPHISA-N 441.517 2.122 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccccc1O 59883690 UIGNYOJIDSIGPS-SRZZPIQSSA-N 430.494 2.261 30 10 IEEE C[C@H]1CN(c2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cc2C(F)(F)F)C[C@H](C)O1 301160982 PENXHLVWIXWNDO-RYUDHWBXSA-N 437.422 2.332 30 10 IEEE CCN(C1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1)S(C)(=O)=O 446630702 HBKLRBXQHBQRBL-UHFFFAOYSA-N 449.577 2.099 30 10 IEEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 463190506 DMMLLXITTNXOPO-PGRDOPGGSA-N 440.569 2.449 30 10 IEEE Cc1noc(CN2CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)n1 470528873 CDLIOXOKKNVQSR-UHFFFAOYSA-N 437.504 2.311 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 477287434 PDVGDIHKSCCNOB-KSFYIVLOSA-N 425.510 2.273 30 10 IEEE CSc1nc(O)c(C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)cc1C#N 478557272 RDYMQYYNFZWMRO-AWEZNQCLSA-N 447.314 2.457 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCCSC)c1=O 478868354 TYTPVJXYVKVAIJ-UHFFFAOYSA-N 447.601 2.392 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC(C)(C#N)CC2)CC1 507837787 MTDKVRKJYQMAJF-UHFFFAOYSA-N 433.530 2.026 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508512225 YLYQUPZZNJXUBW-WIYYLYMNSA-N 436.560 2.273 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 522844655 FGKZUPAOXPQEPS-UHFFFAOYSA-N 437.997 2.345 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1-c1ccccc1C 527277790 NPDHMHKQUQHULD-UHFFFAOYSA-N 425.460 2.394 30 10 IEEE CCOc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3CC)c2=O)c1 533579243 PDEGQYBKKMDOTD-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)c2)CC1 553036822 LWYXNEHFHRIBSP-HXUWFJFHSA-N 449.530 2.479 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 562089924 JIRQAQWPFICJOK-HXUWFJFHSA-N 426.542 2.007 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@H](CSCc2cccc3cccnc23)C(=O)O)cc1C#N 573305081 AJONVGFDFYAFFM-GOSISDBHSA-N 442.522 2.475 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cccc(I)c2C(=O)O)cc1C#N 584816085 DHRXFELLGVPXBM-UHFFFAOYSA-N 443.222 2.365 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(-n2cncn2)cc1 611433232 USYDBOOSUCVCAO-PXNSSMCTSA-N 435.557 2.388 30 10 IEEE N#CCc1cccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 619477799 PQZAEMMTLCLKEZ-UHFFFAOYSA-N 433.917 2.318 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)CC1 680518363 ZUIMIEPDVAEUBF-UHFFFAOYSA-N 431.540 2.074 30 10 IEEE C#CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)[C@H]1CCS(=O)(=O)C1 729332813 YUCQDJJORBGMIC-KRWDZBQOSA-N 432.571 2.014 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@@H](C)CN1CCN(C)CC1 730139865 JIAMWWZRSIIFCX-PXNSSMCTSA-N 443.617 2.231 30 10 IEEE CNC(=O)c1cccc(COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 733816547 DJTMBJLPBRCUFT-UHFFFAOYSA-N 443.525 2.389 30 10 IEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 747803568 XBHDHCSZCSCPRA-YADHBBJMSA-N 446.507 2.177 30 10 IEEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cn2)c1 748998386 UQRDOVRRQOTKOY-UHFFFAOYSA-N 436.453 2.258 30 10 IEEE C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 754404772 YSBUNNOUPDQPEO-LYLVPTPKSA-N 431.514 2.398 30 10 IEEE Cn1c(=O)sc2cc(/C=C/C(=O)c3cccc(S(=O)(=O)NCCC(=O)O)c3)ccc21 773125147 MFLLUKLLPZOBIP-SOFGYWHQSA-N 446.506 2.249 30 10 IEEE C#CCN(C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 774211932 VYKQVYGBIFNTJW-IBGZPJMESA-N 437.993 2.384 30 10 IEEE C#CCN(C(=O)NCc1ccc(OCCC)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 774243275 YLLSGJMLYYQMAZ-HNNXBMFYSA-N 430.473 2.409 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 781568751 DQLFPZVYGDWWKX-HXUWFJFHSA-N 428.562 2.409 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)s1 788027406 CFLUSKGSAREFCX-UHFFFAOYSA-N 448.570 2.419 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)n1 789148555 ZMWGCMDTBQOKIC-RTWAWAEBSA-N 431.487 2.398 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(-c3ccccc3C#N)c2=O)cn1 794608728 MTTLGQWFTZORGW-UHFFFAOYSA-N 445.548 2.495 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 800668599 VNUHALOIFDMNJA-RZQQEMMASA-N 429.583 2.166 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(CO)c2ccc(O)cc2)cc1 808819876 RLCNEFUJKSKQEQ-GHIWRQRASA-N 446.529 2.234 30 10 IEEE N#CCCOCCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 815179311 SKMZDQPQQBIUOB-HNNXBMFYSA-N 431.308 2.076 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 915098210 LUTFFSUOMZMVEK-LSDHHAIUSA-N 427.486 2.445 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)c1C 1134267709 DZKDJIKGWKXVML-JOCHJYFZSA-N 433.574 2.462 30 10 IEEE CN1CC[C@]2(CCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)C1 1141061520 XHWOPVQGJJACJR-JOCHJYFZSA-N 432.590 2.230 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCCNc2ncccc2C#N)C1 1142386887 ZGDDWXPKZYOINA-AUSIDOKSSA-N 437.500 2.298 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 1154152519 FHANGLXPIRWCJD-KRWDZBQOSA-N 430.486 2.238 30 10 IEEE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)nn2C)cc1OC 1154222980 AKWWOHOOFCJWCG-UHFFFAOYSA-N 432.484 2.333 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCN3C3CCOCC3)C2)C1 1178942673 XUJAXRFGSSMCHS-WQASXFKFSA-N 432.565 2.143 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1=O 1189986601 AXHMXMRGYWDZBY-QGZVFWFLSA-N 447.392 2.287 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2OC)CC1 1202367740 HYBKNICWWSTJHD-UHFFFAOYSA-N 444.513 2.105 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCCC1 1230584047 KRJKBNNGXCQLKY-UHFFFAOYSA-N 430.452 2.204 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)ccc1OC 1265124811 AWHABCFUWWEAHE-SJLPKXTDSA-N 425.489 2.169 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(C)cc1 1286467408 PINCLQCJRRLJFO-ICSRJNTNSA-N 430.574 2.378 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286508325 QOXRTCLUSMLQSP-ZWKOTPCHSA-N 433.603 2.384 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1286723857 BKVBRZDTUUFIRD-UHFFFAOYSA-N 428.610 2.123 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCOC1 1286780635 XYGOJJCPKRGYRX-CYBMUJFWSA-N 437.342 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1286783858 OBRRCJNYJPCTLX-JOCHJYFZSA-N 442.495 2.485 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1286967849 HTLRPMYIKJLDCH-RDJZCZTQSA-N 440.529 2.479 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1286973153 ZULAMKBMAWMEIT-HRCADAONSA-N 433.557 2.123 30 10 IEEE Cc1ccc(CN2CCO[C@H](CNC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)cc1 1287927026 NCCKUWACGOQYCA-JOCHJYFZSA-N 446.555 2.476 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1288502712 VLTRAVJXWVEALT-UHFFFAOYSA-N 434.271 2.228 30 10 IEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1291782302 CPQPJWPYDTWITJ-XLIONFOSSA-N 428.537 2.325 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2cnn(CCOC)c2)CC1 1300682018 DGULGAVKJXRRAZ-HSZRJFAPSA-N 447.587 2.466 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1300683586 QVSOZKWSASUFQD-IBGZPJMESA-N 438.576 2.062 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1300695876 NPLGVRRJJOCURO-QGZVFWFLSA-N 427.553 2.332 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300753891 CYQXUMJVKRHDJC-GOSISDBHSA-N 441.605 2.232 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300843189 DARIXJKGZJRFAW-YOEHRIQHSA-N 445.383 2.443 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1300848166 BJZKRNBYXJQGPV-INIZCTEOSA-N 442.402 2.485 30 10 IEEE C=CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301234660 OMIKXRZFLSARNW-GCJKJVERSA-N 432.569 2.325 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(C)cc2)C1 1301557906 RVTPZGILJVIQTO-UYAOXDASSA-N 446.573 2.349 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301596538 RHISCDXTTRSDJG-UTKZUKDTSA-N 435.594 2.208 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1302001350 SYDAPAIHXSAMSK-JUXOCIIHSA-N 433.553 2.470 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1302204374 GJBNXOLUTGFFFO-LJQANCHMSA-N 449.559 2.323 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc([C@H](O)C(F)(F)F)cc1 1302493369 IATNPKMLNGZCKD-INIZCTEOSA-N 427.404 2.350 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1315409739 FSRHKNGZLNLZPL-OAHLLOKOSA-N 436.472 2.177 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2c(Br)cnn2C)c1 1355670059 ZWVQNCOEPAYCDI-ZHZULCJRSA-N 440.323 2.248 30 10 IEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1358915167 UOMVMKUOXUSCBS-HXUWFJFHSA-N 434.544 2.495 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@@H](C)C1 1358949400 AUYFQENTJGVKSC-BZSNNMDCSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358967794 SDVXOQOUDYPSSE-QGZVFWFLSA-N 444.557 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1358983890 ZTODFHWJEFOIIL-SFHVURJKSA-N 442.564 2.339 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1359001616 YSURYHYCKQNONN-XXBNENTESA-N 441.580 2.181 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1c[nH]c2ccc(F)cc12 1359026601 FFVQFCUWMFPWRW-UHFFFAOYSA-N 438.507 2.350 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 1359037913 CWKAUIPLRMONBC-UHFFFAOYSA-N 432.576 2.213 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359094060 WQJYQUWGXSWFFO-VKUXKFIQSA-N 444.624 2.194 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1359151954 HVFQKGMVMOMPFT-CQSZACIVSA-N 425.867 2.241 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](COC)OC)CC1 1359164073 DEKSEKNNNCZVDQ-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359288633 OODVWNLODHYGTE-UHFFFAOYSA-N 431.610 2.200 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)c(F)c1 1359471498 TWVSFBCJPPCIPE-INIZCTEOSA-N 438.511 2.298 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359655128 PNCIZDBEYNGOAG-NJNPRVFISA-N 441.488 2.250 30 10 IEEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1438015330 CWGBZRMHGMFDOT-CYBMUJFWSA-N 431.341 2.500 30 10 IEEE C=CCC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1449699791 SODBKACACGPGEE-IAQYHMDHSA-N 437.290 2.448 30 10 IEEE Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1452952003 BTMHFFCBSHEVSH-UHFFFAOYSA-N 439.497 2.216 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1454101784 HHCKCEZRZHAIAU-CALCHBBNSA-N 448.545 2.102 30 10 IEEE Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1463341631 HVLIJHTUXDYUNI-UHFFFAOYSA-N 429.424 2.374 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)Cc1ccc(C(=O)NC)cc1 1464513841 BYTXLTRIEXXPMA-UHFFFAOYSA-N 449.573 2.211 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)CC1 1465652434 JSFLXIMXQPRXGY-UHFFFAOYSA-N 442.541 2.191 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)s1 1469052970 ZXDAQVDFCAOFIZ-UHFFFAOYSA-N 445.607 2.470 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 1469107733 NVFVPZJQZKHTGO-MJGOQNOKSA-N 447.557 2.476 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1471536374 UQICEKANIONQPR-HXUWFJFHSA-N 445.541 2.180 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)N1CCC(C(=O)N3CCCCCC3)CC1)C2 1473858748 WCFRASLKBVJYJA-UHFFFAOYSA-N 429.590 2.201 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1499961364 UAGWKKNXQJVYCN-AUSIDOKSSA-N 439.564 2.316 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1502389355 BMCMZFARDBSKIO-MRXNPFEDSA-N 426.521 2.116 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1 1503634361 CAATUWNYSGYNHW-UHFFFAOYSA-N 439.545 2.195 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1503767580 DVMQVQGZGDDLTM-QGZVFWFLSA-N 440.573 2.444 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1504761098 DBOIMPFUIVALAD-VXKWHMMOSA-N 435.569 2.236 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C1CC1)N(C)C 1507620562 INNAAZDFDRBKNG-QHCPKHFHSA-N 435.620 2.052 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1507623567 UGRRFCJHXBKMPH-QGZVFWFLSA-N 432.546 2.094 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCC[C@H]2CC)CC1 1507716949 WTOKFXKGOBZXPL-OAQYLSRUSA-N 443.640 2.216 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCS(=O)(=O)C1 1508037741 JNZCWCUEYSSZHJ-OAHLLOKOSA-N 439.969 2.457 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C[C@H]1N1CCOCC1 1514140485 NLDWDURXAYTBQA-HMXCVIKNSA-N 442.539 2.348 30 10 IEEE CO[C@@H](CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1517794606 JRZJPGKKOBNYLO-WBVHZDCISA-N 435.454 2.484 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1527794206 MKHVCLYWXAAXBE-RTBURBONSA-N 430.501 2.216 30 10 IEEE COc1ccc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1S(C)(=O)=O 1528052162 NQQRLSNNHNSINA-AWEZNQCLSA-N 434.470 2.119 30 10 IEEE N#CC1(CC(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)CCOCC1 1532982355 WLYGGAPUFQJAOJ-UHFFFAOYSA-N 442.488 2.010 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCCC2)CCOCC1 1538962769 PKCLUWRRHWCDEN-SFHVURJKSA-N 430.597 2.299 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H](C(F)F)N1CCOCC1 1539155255 TUVCBKQBXFDGLL-KRWDZBQOSA-N 434.447 2.279 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539216003 MPFUAQSSQQNBHN-YOEHRIQHSA-N 442.545 2.308 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1539252062 XTJPVGPIYQWRDK-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1539378179 UHWQBZYLWSMZKB-UHFFFAOYSA-N 430.310 2.256 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)=NO2)C1 1539379326 OGDIMVJRVSBMJS-IBGZPJMESA-N 439.516 2.161 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539514747 USXZNSAKEKIGKM-HOTGVXAUSA-N 448.593 2.041 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C)C1 1539751496 OHLFSHHMDOWXJK-SFHVURJKSA-N 427.553 2.270 30 10 IEEE C=C(Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1539770500 MLXBBOFMVALJSJ-WMZHIEFXSA-N 425.533 2.344 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539820383 MWTRAULPQDZFRO-YRISNDGFSA-N 439.988 2.228 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540033473 JICFGCXYBAZWOF-UHFFFAOYSA-N 425.537 2.167 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1540550245 LEEYZDPCKZVBPD-QRVBRYPASA-N 432.496 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)C[C@H]1CC 1540868463 GMBOBOHWVJVBAC-HZPDHXFCSA-N 445.593 2.165 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)(F)F)C1 1540894465 YGSCAYMOBRDDIL-CQSZACIVSA-N 429.468 2.390 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1540899977 HFCHHNYMDOWQKZ-UHFFFAOYSA-N 427.530 2.034 30 10 IEEE CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541612314 FIHZKAXIMSZSGO-QQMHEVNUSA-N 440.504 2.316 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCCCO 1541681289 OEVFOJFSIRSISA-LJQANCHMSA-N 426.521 2.028 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)ccc1OC(F)F 1542978024 FJTLFDKAUDNNSS-SQFISAMPSA-N 430.205 2.307 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H](C)O1 1544712937 FJVWEOSLXYKKKN-IYBDPMFKSA-N 429.546 2.398 30 10 IEEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1546653246 AUWXBEOMWGTQAQ-QGZVFWFLSA-N 428.562 2.479 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOCC)CC1 1547773660 ZEGVADVYJPIZTJ-UHFFFAOYSA-N 425.537 2.485 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2nnc(C)s2)CCOC1 1547894018 PFEIRMGCUATXGB-OALUTQOASA-N 435.529 2.165 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1552456540 NGHVAASRFQQBHT-RQZFFVEVSA-N 442.589 2.172 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CCC(C)C)c1 1554414788 FIJJAYGRUQDSOK-IBGZPJMESA-N 437.548 2.403 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 1557428022 BYPCDAPFEFCOQH-PMACEKPBSA-N 430.549 2.457 30 10 IEEE CCOC(=O)c1sc2ncn(CC#CCN3C(=O)c4ccccc4C3=O)c(=O)c2c1C 1559330286 UJQROFSTWFIVNH-UHFFFAOYSA-N 435.461 2.243 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCC3(CC2)NC(=O)NC3=O)s1 1568787379 HFASXNOFKBFUFY-UHFFFAOYSA-N 428.967 2.476 30 10 IEEE C#CC[C@]1(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CCCN1C(=O)OC(C)(C)C 1583400603 TUEFMCZUJQHPLI-YADARESESA-N 440.544 2.482 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCS1(=O)=O 1588200661 YSUBBIAIUWOLMI-UHFFFAOYSA-N 449.939 2.236 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CC1 1588768644 IWUQTLHCEUPECT-UHFFFAOYSA-N 426.528 2.081 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ncccc2N(C)C)CC1 1588864890 LHFUXYIZCJUXAY-UHFFFAOYSA-N 445.571 2.430 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1589060758 YGTADQSJXQCQAX-LJQANCHMSA-N 442.564 2.057 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1589658364 ZNGFZFHFKQDTCX-AVRDEDQJSA-N 430.574 2.417 30 10 IEEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1S(C)(=O)=O 1595009830 MGLMVZUXUPNMQS-GOSISDBHSA-N 433.578 2.466 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1595165255 DIAXGFFAEVANSF-QUCCMNQESA-N 438.580 2.101 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1595523351 UVCSSFKFNIPAGV-OAHLLOKOSA-N 442.545 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1595788907 KJDSBQOSMXKFCZ-MJGOQNOKSA-N 431.562 2.255 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1610044462 JCXWTKGTZRSVGR-UHFFFAOYSA-N 444.543 2.365 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1616222072 ADGXMTNBLZPLCU-YADHBBJMSA-N 432.569 2.223 30 10 IEEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1618495891 XYSAHLPNNYJZMZ-UHFFFAOYSA-N 444.421 2.341 30 10 IEEE COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1 1633760066 PTWDPRSASLCSPQ-OAHLLOKOSA-N 431.445 2.055 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ncccc3F)CC2)s1 1635695486 PEXNXNWHKZDSTM-UHFFFAOYSA-N 439.534 2.359 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1636238341 FHPPRUHWGZDKGR-FUHWJXTLSA-N 428.537 2.478 30 10 IEEE Cc1c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nnn1-c1ccc(F)c(F)c1 1641858358 WEBNKLYIWVWZQD-UHFFFAOYSA-N 441.394 2.372 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 1644589138 NSKXVKBDVGDCFX-HNNXBMFYSA-N 430.364 2.192 30 10 IEEE Cn1ncc2c1CC(C)(C)CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1647899862 BZJUUQWMNRVARS-GOSISDBHSA-N 434.500 2.108 30 10 IEEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)NCc3cccc(C#N)c3)C2)cn1 1648073691 ZUEHBUKDYUFQKL-WOJBJXKFSA-N 437.544 2.355 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(O)Cc2cccc3ccccc23)cc1 1651235441 LCKULEACBJOZTJ-UHFFFAOYSA-N 427.482 2.495 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H](c1ccccc1)c1nc[nH]n1 1658924037 AIPGBYHECDKSCJ-JTHBVZDNSA-N 447.518 2.374 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(=O)OC 1663611194 LYNUQGPOAJNHSX-GFCCVEGCSA-N 438.271 2.161 30 10 IEEE CCNC(=O)COc1cccc(CNC(=O)Nc2c(C#N)cn(CC)c2C(=O)OCC)c1 1672409934 FDUPOMROZZOFGZ-UHFFFAOYSA-N 441.488 2.393 30 10 IEEE C#C[C@H](NC(=O)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(C)C)c1ccc(F)cc1 1674014965 NEPPCPJFVYEWJD-UNMCSNQZSA-N 441.503 2.388 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)NCC#C[C@H]3CCCCO3)c3nccn32)C1 1676428408 CMPMVZKUWVWZEN-IAGOWNOFSA-N 429.521 2.146 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCOc4c3ccc(Cl)c4Cl)C2)c(=O)nc1O 1682139855 NGSBRASWDGHADV-ZDUSSCGKSA-N 436.255 2.217 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cc1 1682680052 JXYLQBBOAQGYFF-FQEVSTJZSA-N 440.544 2.421 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)C2 1683589551 FQQZDQGNIYTRIR-IBGZPJMESA-N 444.944 2.395 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1689969323 SBEGWFUNTXXTLV-INIZCTEOSA-N 437.573 2.372 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1690205959 CSWIZEYMYHICAJ-XQBPLPMBSA-N 433.622 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690239134 RWCDPDLGFHVFHC-LMNJBCLMSA-N 430.597 2.137 30 10 IEEE C=C(Cl)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1690358627 GHZUVBHFQTYRQO-HXUWFJFHSA-N 430.896 2.218 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1690442587 WNEAIFMTZCCWFK-YQVWRLOYSA-N 433.578 2.473 30 10 IEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1690460650 LXKLCWKQZYXBHZ-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1690509229 ZZIBTEKEXMSEEQ-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1690532471 OFBRQZGJPMSGMV-UHFFFAOYSA-N 428.562 2.355 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1690559278 CDYJEDDRQMHMDZ-IBGZPJMESA-N 447.543 2.339 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1694341155 BBRHPOGHHXWIGE-KSFYIVLOSA-N 429.569 2.241 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1694416373 FKHKEAYGHWOPFB-UHFFFAOYSA-N 434.548 2.428 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C2CCCC2)CC1 1697012494 AVWUTNGZSBLJDM-UHFFFAOYSA-N 436.564 2.153 30 10 IEEE COc1ccc(OC)c(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1697476616 FIHDEBWMCNWKLW-NRFANRHFSA-N 428.468 2.022 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705475608 NMFOJOVPLNAIGD-QUCCMNQESA-N 430.597 2.109 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCC2)nc1 1705476141 ZIEWEVYMZPZBTQ-QGZVFWFLSA-N 430.516 2.427 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1705550911 BDFYAOUNTWMGSM-QZTJIDSGSA-N 431.562 2.070 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1705552351 XZVGBCMKSZDTMB-SFHVURJKSA-N 441.557 2.037 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705560671 MRWSZYOHFQNNJS-KRWDZBQOSA-N 434.537 2.398 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566500 NTLYJSBFCLVZHB-KNQAVFIVSA-N 446.548 2.219 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705567735 YQPSXGGEUCSXKN-SJLPKXTDSA-N 434.949 2.110 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCS(=O)(=O)CC1 1705608131 FWLFPLDSCYHRRD-UHFFFAOYSA-N 440.928 2.137 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS1 1705623614 YJZSOWYLDHZUNY-KRWDZBQOSA-N 434.587 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1CCN(C(C)=O)CC1 1705624451 BQORZAASRRXQIJ-UHFFFAOYSA-N 425.533 2.298 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1705700125 OYOYHVQOBPXMQI-IKGGRYGDSA-N 429.487 2.448 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1705700510 UROUKRKLCGIWSO-QRVBRYPASA-N 433.578 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1705700891 ZWTFMEDXUMZXOQ-OTWHNJEPSA-N 448.593 2.014 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](OCCOC)C1 1705706357 SRYVIWRZFZLSJC-SJBKTWHCSA-N 444.580 2.363 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705830014 IAXXVZNOOYHAEO-PMACEKPBSA-N 446.596 2.347 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1705868256 HAYKOUVQTXBXJU-UHFFFAOYSA-N 438.557 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705898118 BHMCLMPZRVFRRV-KRWDZBQOSA-N 441.532 2.030 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(Cc1ccnn1C)C1CC1 1705932915 NYWRCPVJHROVCA-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1711226621 GOMOPMCTLVQNPY-QTIQAUKSSA-N 446.552 2.297 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1Cl 1722383977 SAIABOCOHPAPLM-MRXNPFEDSA-N 434.924 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C 1722397799 UUCPMYHUDVPXDU-LEWJYISDSA-N 445.633 2.154 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1722554392 DWUSWMCFGGQQHB-ZDUSSCGKSA-N 441.907 2.007 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722623924 NYKTYESZMJHUSG-QGZVFWFLSA-N 428.493 2.408 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O 1722633467 UAMSYGTYPZAQDE-UHFFFAOYSA-N 440.367 2.365 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722672486 RTDVCGXQFGRMNI-CVEARBPZSA-N 447.527 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccco2)C1 1722730389 QKYVZIHFNKCSLG-GOSISDBHSA-N 444.561 2.327 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCC(C)CC2)cs1 1725416252 VRSCLJADCUTKAL-LPHOPBHVSA-N 429.594 2.483 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC(=O)NC1CC1 1729081711 GYZGNUUNMYESET-FQEVSTJZSA-N 438.532 2.323 30 10 IEEE C#CCCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740597570 VUSZSXSGPIGALO-QHCPKHFHSA-N 444.580 2.070 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1740674086 SRTGMKMFIQWCCD-HTAPYJJXSA-N 443.573 2.457 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1740868897 VXWJRFQOVPISOG-KRWDZBQOSA-N 448.593 2.190 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCOCC2)C1 1740983098 BAAXCXYFTUZKLC-FQEVSTJZSA-N 443.596 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1C(C)(C)C 1740993793 IWHBRNMZWLWZNT-UHFFFAOYSA-N 437.532 2.251 30 10 IEEE CCO[C@]1(c2nnc(N3CCCN(C(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1746724092 CVQBYKVCUMJFDK-JOCHJYFZSA-N 428.537 2.364 30 10 IEEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCC(CC#N)CC2)n1 1748069271 FCZMZNIIBDMXDS-UHFFFAOYSA-N 442.325 2.409 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1OCC 1748856201 TWNDEKFXWQXACI-UHFFFAOYSA-N 434.525 2.184 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1748989960 FALXQFUWQAOQSV-AWEZNQCLSA-N 440.495 2.451 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1748993165 QEAGEJIKCLRGSN-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](OC)C2CC2)CC1 1749006677 XFDRBBGBDUOHMU-NRFANRHFSA-N 437.544 2.345 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749026670 GWAOCRDVSGGOSX-OAQYLSRUSA-N 436.585 2.484 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](OC)C1 1749037274 CSCCYYPSKICTNT-LJQANCHMSA-N 441.605 2.434 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)C(=O)C1 1749106280 AGTQQOBBTZHQMA-UHFFFAOYSA-N 437.367 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1749114634 DRIPJZVRZQWUGS-MOPGFXCFSA-N 440.548 2.133 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21)C1CC1 1749508279 NAPFUIKVICVFDR-OAHLLOKOSA-N 429.550 2.093 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1749911712 IQCVUJLANMHUGY-JTDSTZFVSA-N 442.520 2.010 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1749954462 PMHRSGNYUQGJHC-KKSFZXQISA-N 440.483 2.073 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCN(C(C)=O)C1 1750132806 QNTCLYVOAVRTNG-ACRUOGEOSA-N 444.580 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOC2=O)cc1 1760097763 JTLKYIKZKAOHFB-DLBZAZTESA-N 427.505 2.465 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@](C)(O)CCC)c1 1760128871 VHIKAJOTZWWFGV-FDDCHVKYSA-N 425.533 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(OC)c2)CC1 1760268348 IAASEYMSWNINSI-UHFFFAOYSA-N 432.528 2.490 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760442169 IBKRHJWVSIKZGI-LJQANCHMSA-N 426.569 2.492 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760445267 FGMYVRHWLLQLPX-LJQANCHMSA-N 427.553 2.453 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCN/C(O)=C1\N=CC=CC1=O 1760480020 ILESYWZALGYTQP-QURGRASLSA-N 431.500 2.431 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](OC)C2)cc1 1760529239 AKCQUMDHQCOJSM-IEBWSBKVSA-N 432.546 2.018 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1761462806 ARYIFENQYUAYSE-LSDHHAIUSA-N 444.565 2.136 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)CCO1 1763496362 BQNNFAFTPQXEOD-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC[C@@H]1C 1770659121 UBGSCGHLHMVFLZ-NBCNXNJRSA-N 443.573 2.458 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1770788711 OYMUSNLLOXXECN-PXNSSMCTSA-N 442.539 2.491 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CCCCCCO)c1 1771532081 OOCMZUBTCUTWNO-OAQYLSRUSA-N 435.532 2.471 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)CC1 1849012778 UMFIKVZIVKYDGV-SFHVURJKSA-N 438.528 2.037 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)NCC#CCN2CCc3ccccc3C2)cc1 1850103580 ZKOSEHHLFVHBBS-UHFFFAOYSA-N 426.538 2.037 30 10 IEEE N#Cc1ccccc1OCC(=O)NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 1851436743 WBZJQOKHZGBECL-UHFFFAOYSA-N 448.458 2.078 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](c2ccc3c(c2)OCO3)n2c(C)ccc2C)NC1=O 1851489876 IDPDWXRYFZPYJF-QGZVFWFLSA-N 436.468 2.134 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)n1 1852015798 ZRQRKUFGBYEYCM-UHFFFAOYSA-N 429.362 2.379 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCCn4c3nc(-c3ccccc3)cc4=O)cnc2c1C#N 1852334601 ZCDHKWWPAPAWFU-UHFFFAOYSA-N 425.452 2.492 30 10 IEEE COc1ccc(Br)cc1CCC(=O)N1CCN(c2nccc(C#N)n2)CC1 1852835515 FGIAOURPTUBHQV-UHFFFAOYSA-N 430.306 2.401 30 10 IEEE Cc1cc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)ccc1F 1853024062 IJIKEEVTAPQMOW-UHFFFAOYSA-N 449.490 2.269 30 10 IEEE COc1ccc(C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)CC#N)C2)c2ccccc2)cc1 1856982987 DLEYYNVCVWNJRH-VQTJNVASSA-N 430.482 2.034 30 10 IEEE COc1cccc2c1OC[C@H](C(=O)N1CCN(Cc3ccc(C#N)s3)[C@@H](C)C1=O)C2 1857506142 LQJXNBMSFGESLZ-GOEBONIOSA-N 425.510 2.439 30 10 IEEE C[C@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CCN1Cc1ccc(C#N)s1 1857510077 ZICGITSNKOZJCW-HOTGVXAUSA-N 428.558 2.360 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(OCC)cc2)cc1 1858966276 ALLDHQCVPSLVRI-NTEUORMPSA-N 442.493 2.463 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCCOc2ccccc2)cc1 1858970911 YWAXNWTUKFIQJV-UHFFFAOYSA-N 445.541 2.378 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4nc[nH]c4c3)cc2C1=O 1870142403 BPZUSDCRCCPZJB-UHFFFAOYSA-N 440.423 2.272 30 10 IEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1871025518 NTMDASLXNZDPRI-UHFFFAOYSA-N 444.473 2.406 30 10 IEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873561597 RMVRSWXWZRJZLQ-IAGOWNOFSA-N 426.565 2.397 30 10 IEEE Cc1noc(C)c1CCC(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890078231 KPQNZIIJOUKCRI-UHFFFAOYSA-N 430.593 2.261 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3ccccc3F)CC2)CC1 1890179904 LWFPQVWIZKZCSR-HXUWFJFHSA-N 431.552 2.242 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891198418 QCWXXSGKVKHBGM-FUHWJXTLSA-N 439.541 2.427 30 10 IEEE C=CCC1(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1990002818 FISAKRPJEDUZPI-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1992857990 KXIAXQZXANAHEX-JJXSEGSLSA-N 427.542 2.236 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060633796 RPMRRLICBQAWTH-BQJWPVKWSA-N 436.358 2.419 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@H]4OCCO[C@H]4C3)c(Br)c2)OC1(C)C 2172786682 VEFQGVNOWZSPGN-CABCVRRESA-N 425.132 2.137 30 10 IEEE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCO 2186648019 UGVXYGJHBUMFBB-HNNXBMFYSA-N 446.550 2.149 30 10 IEEE CC1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247833478 HANPLIBLFLQOJX-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255629443 VTGKRNZGDYILMZ-KBPBESRZSA-N 434.346 2.084 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255629528 XBKBTSWYSKHROB-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256664370 BNVVRQPMBACNOH-OAHLLOKOSA-N 449.382 2.365 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCN(Cc2ccccc2)C1 2267131254 ZAIYEMUIAAYWEZ-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2267144187 SMMCANNHTMJXBR-MOPGFXCFSA-N 436.365 2.303 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1)C(=O)OC(C)(C)C 2267184865 YCFUWVVZEIJHMD-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267265184 BMNYUEDQRQDKEQ-MSOLQXFVSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267272396 YWNONAVULBMQGT-HOTGVXAUSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267479893 RIQCCBSVTLQXGI-LESCRADOSA-N 443.353 2.366 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267497331 BKQXIHVRPRLPFT-GOSISDBHSA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)n1 2267503328 BSQREUGYNGHEOL-UHFFFAOYSA-N 446.357 2.016 30 10 IEEE Cc1nn(C)c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267519290 IGAKMURKUIKQCJ-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE Cc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529609 NFVYHOMBHGSZRW-IBGZPJMESA-N 438.381 2.374 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCCN(Cc2ccccc2)C1 2267533341 QYXOCMRKGDMHKS-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCN3Cc3ccccc3)c(O)cc2O)OC1(C)C 2267809031 GORBLYUNGKVPST-QGZVFWFLSA-N 438.333 2.401 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881135 XSKXVOGCGFHLDC-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE C[C@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268716561 FKHDRAMKGJPBRU-RDJZCZTQSA-N 448.369 2.296 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2268978096 GWCNRTGBFFYNCK-QGZVFWFLSA-N 440.305 2.171 30 10 IEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCC2SCCS2)OC1(C)C 2282839907 JWXWRBZUOSLMTO-UHFFFAOYSA-N 436.455 2.058 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2295071167 QLNIQSYBIUABMY-VIFPVBQESA-N 438.286 2.015 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302955045 KCOCEQJVZZMWLD-AUSIDOKSSA-N 447.601 2.064 30 10 IEEE COc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1 2328471419 POUFJFVPVFMVGY-UHFFFAOYSA-N 426.458 2.245 30 10 IEEE COc1ccc(CCNC(=S)NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 2330458937 RDZYPRNDXQMBQH-UHFFFAOYSA-N 434.474 2.367 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)n1C 2337283674 RCSKHUZPUNYMQR-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 96993250 GCARFSJMWMOMLW-UHFFFAOYSA-N 430.512 2.373 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1C 103093216 XUMLHYPVHUKNGB-QGBVPWCLSA-N 425.485 2.401 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 460557493 VCJSOWZKZJRJLA-RTBURBONSA-N 431.562 2.311 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(N=c3cc[nH]cc3)cc2)CC1 468211987 MMAIRQLHDCNYFN-UHFFFAOYSA-N 447.520 2.265 30 10 IEEE CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 475767307 HDSSLUQIQBAPTP-VGSWGCGISA-N 426.517 2.281 30 10 IEEE COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 507026026 LKEFEQYJARXWMP-JTQLQIEISA-N 439.852 2.443 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1nc([C@H](C)OC)no1 508471797 HUTNUIYMCRBOPT-ZDUSSCGKSA-N 432.506 2.261 30 10 IEEE Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c1C 573430827 FYBURIMEEGAZRQ-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C(C)(C)C)cn1 619476903 BVYAKGTXHRMPHY-DENIHFKCSA-N 449.559 2.160 30 10 IEEE C[C@@H](C#N)NC(=O)c1cc(I)cc(I)c1O 701289217 QYPSMDMLNYSEOQ-YFKPBYRVSA-N 441.994 2.243 30 10 IEEE CCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729670893 PLLKSKPSRPQDFV-APWZRJJASA-N 449.580 2.165 30 10 IEEE COC[C@@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730137103 DCEPRPQQZXDAJF-JXFKEZNVSA-N 446.617 2.457 30 10 IEEE N#C[C@H]1CN(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)CCN1C1CC1 732674700 LEGHGVZZFFKTTD-IBGZPJMESA-N 430.984 2.234 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CCN1C1CC1 732677963 HFHKZPNPEIYXOR-OAHLLOKOSA-N 432.527 2.067 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@@H]1CCCO1 736587145 KWXCNFBKROWHEW-WFASDCNBSA-N 431.583 2.280 30 10 IEEE C#CCN(CC#C)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 752151828 SREOADRTFMCDTE-UHFFFAOYSA-N 440.521 2.384 30 10 IEEE CCC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)C1 761852092 GMEBTTZLYCSJCO-FUHWJXTLSA-N 439.541 2.169 30 10 IEEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(Cl)c1 762522075 SYNWOEAGOZWJFE-KRWDZBQOSA-N 436.965 2.371 30 10 IEEE CCN(C(=O)Cc1ccc(OCC#N)cc1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 775494629 XYEDAYDFFRYGGT-UHFFFAOYSA-N 435.528 2.244 30 10 IEEE Cc1cccc(CN2CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 780174718 DQHGYFHWYCCEQY-DEOSSOPVSA-N 443.544 2.444 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1F 782779276 BOPKHUQCZRGWCP-UHFFFAOYSA-N 440.431 2.324 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 783509456 NPVDNYPYUODHJE-UHFFFAOYSA-N 428.533 2.228 30 10 IEEE CC(C)CN(C(=O)COC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1CCS(=O)(=O)C1 803924764 OGVKKGMAECTIEN-SFHVURJKSA-N 438.521 2.190 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 812178434 FSARRCMMQRPKRW-UHFFFAOYSA-N 426.521 2.339 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 812182055 BAHYPAIGGHJNBW-DLBZAZTESA-N 448.568 2.254 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)cc3OC)n[nH]2)cn1 1084180829 UTBLNFCEBNJPHP-UHFFFAOYSA-N 442.505 2.381 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1ccccn1 1084216896 OLWMNJZTJMIYGN-UHFFFAOYSA-N 443.405 2.193 30 10 IEEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)NCCc2ccc(F)cc2)n[nH]1 1084636961 MLLIXVGGLIXDFI-UHFFFAOYSA-N 430.513 2.191 30 10 IEEE CC(C)(CC#N)CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1129581342 GAONABARZKIYMX-NRFANRHFSA-N 425.526 2.390 30 10 IEEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CCCCC1 1136512488 AVRGMHDGUMHJSS-BHIYHBOVSA-N 438.590 2.451 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 1157759978 GIQFWTIIITZUFY-SJORKVTESA-N 439.553 2.435 30 10 IEEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1159132132 FBAFSEAJCKFDLC-HNAYVOBHSA-N 428.920 2.328 30 10 IEEE COCC[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1160703744 VFHDIWXEDBIBRB-ROUUACIJSA-N 431.489 2.087 30 10 IEEE COc1ccc([S@@](C)(=O)=NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1178482225 ZTUFDVYPMWOTGF-MUUNZHRXSA-N 435.527 2.197 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)[C@@H]1CCS(=O)(=O)C1 1188283042 RXPSEJRIQDEIHP-CYBMUJFWSA-N 425.507 2.278 30 10 IEEE COc1cccc([C@H](O)C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1 1196657890 OKSMDBQRFCLGAE-ISKFKSNPSA-N 428.577 2.133 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1286276529 XTLBKRCHIVYWEU-GJZGRUSLSA-N 428.518 2.050 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286318738 AONBVILNVUSZGN-KRWDZBQOSA-N 448.531 2.289 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1(=O)=O 1286436425 HXCSWDDSYWDURJ-CQSZACIVSA-N 440.367 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1cnnn1C 1286460506 NZDMPOHPAZDNDY-UHFFFAOYSA-N 436.339 2.032 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCc2ccccc21 1286461701 VQCNXIJVFHBMJQ-IBGZPJMESA-N 436.560 2.051 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)[C@H](C)CC)CC1 1286475833 HXRIOHVDJLOJHC-HOYKHHGWSA-N 439.560 2.269 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2cccs2)CC1 1286482757 YFTKIQVJQGUWSG-NRFANRHFSA-N 442.614 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2=CCCCC2)CC1 1286485425 LEGMNEQZRGCUQN-UHFFFAOYSA-N 426.565 2.273 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1286505075 UWKJYKKXPGCCPC-IYBDPMFKSA-N 438.557 2.172 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C2CC2)CC1 1286640192 HTFHCFPAUPBJDU-UHFFFAOYSA-N 429.546 2.031 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1286727571 UNNGLHSKYSCSTA-MRXNPFEDSA-N 436.557 2.125 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC(=O)N1 1286741166 HQVFGHMVPUDPLO-OAQYLSRUSA-N 444.543 2.483 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@@H]1C 1286750214 UBYXDSJRXDBZBL-SFHVURJKSA-N 444.605 2.375 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(F)cc1F)C1CC1 1286790220 KXUDVPOADVPMOP-UHFFFAOYSA-N 444.486 2.150 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1286791063 MRBZHBJXJGWRNK-INIZCTEOSA-N 426.569 2.091 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1286902593 APLYCYMPWZRRPV-UHFFFAOYSA-N 449.559 2.226 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1287130528 SIEBCUBDWWDZEF-SFHVURJKSA-N 430.940 2.413 30 10 IEEE Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c(O[C@@H]2CCOC2)c1 1289676203 BFLKGDMLAODYJU-UHOSZYNNSA-N 438.532 2.492 30 10 IEEE Cc1ncc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1290482051 GYADMMXVMDBQAZ-ZPHPHTNESA-N 438.517 2.201 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CC1 1296124388 HACYCJDRPBWCIO-DENIHFKCSA-N 437.592 2.458 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1297418668 CXOMTTYDQGWHQP-SESVDKBCSA-N 441.532 2.131 30 10 IEEE CN(C)CCOc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1298084212 CCXFVFKDTJXZRJ-XXBNENTESA-N 442.539 2.407 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300417401 UGHQAOYEHPRFQN-UHFFFAOYSA-N 438.561 2.172 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1300495149 DOLQTRXVDDTPSC-IBGZPJMESA-N 435.638 2.368 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCc1ccco1 1300654960 LXEARICMERWQTA-UHFFFAOYSA-N 444.495 2.489 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1300823298 BSSLNBAHBIUMOO-CQSZACIVSA-N 441.374 2.068 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1301312537 GQBAAIAVAXEHOP-GASCZTMLSA-N 428.541 2.257 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1Cc1nncn1CC 1301365686 VSZSPMVPPRLWAR-UHFFFAOYSA-N 426.550 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301568743 XGZOMFKFHSBPHB-JKSUJKDBSA-N 441.598 2.352 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCOC2)C1 1301618692 VQYGESJQDGOIPW-FQEVSTJZSA-N 449.602 2.185 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)N1CCCCCC1 1302243627 QMHPQVXSDKHQTO-BJLQDIEVSA-N 432.569 2.391 30 10 IEEE N#Cc1cccc([C@H]2CN(S(=O)(=O)c3cnn4cc(Br)cnc34)CCO2)c1 1309367822 AOZAIAWJNLAUKB-OAHLLOKOSA-N 448.302 2.126 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1314549839 ZUEQPVHLTNJVRE-INIZCTEOSA-N 446.577 2.150 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)OC)cc(OC)c1OC 1315304937 FZCTXDNKXNGGKY-HNNXBMFYSA-N 431.493 2.125 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1Cc2ccccc2C1=O 1354749321 LDHCPQYSRPFIOS-SXDATVTGSA-N 440.525 2.482 30 10 IEEE Cn1cc(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 1354900612 CSSOBHVNBFHGQM-UHFFFAOYSA-N 441.435 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCNS(C)(=O)=O 1358874432 XFFRPIRKPYDQHE-HUUCEWRRSA-N 439.969 2.469 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1358948747 KMMZMCBJRPSPBH-HNNXBMFYSA-N 442.463 2.239 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@@H](OC)C(F)(F)F)CC1 1359045690 QGNLRGIBTJGYMS-MRXNPFEDSA-N 429.487 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](CC)OC)CC1 1359046338 NVMUSSDQBNBQAA-IBGZPJMESA-N 427.524 2.399 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1359294288 PNCDFSRCPWCIJQ-CVEARBPZSA-N 431.562 2.276 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(CC)c1 1359328442 DKXQLSOTCHSHMP-UHFFFAOYSA-N 439.545 2.270 30 10 IEEE C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1359478124 NACBTAAGAPOKSE-KRWDZBQOSA-N 439.564 2.221 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1360480883 IAVLWOAPRHRPEC-IEBWSBKVSA-N 430.578 2.083 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1436172869 SVXDWAOYACOEFH-QGZVFWFLSA-N 445.383 2.100 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1440809022 ITDWEPZSBKQPKZ-UHFFFAOYSA-N 435.419 2.208 30 10 IEEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H]1c1cnn(C)c1 1441329433 WXAGAIZHHAASFL-DXBBTUNJSA-N 429.480 2.204 30 10 IEEE CC(C)NC1(CO)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1449951588 ICIYTIJFROFROP-UHFFFAOYSA-N 435.366 2.108 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](CO)c2ccc(F)cc2F)CC1 1460499918 DPXIYCHEFQFLSX-NHCUHLMSSA-N 432.446 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)=NO2)C1 1466608887 HGCWETUCAOWDSV-GOSISDBHSA-N 426.473 2.224 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1469510048 QKGAKGUYPKBQQA-UHFFFAOYSA-N 427.324 2.035 30 10 IEEE C#C[C@@H](NC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)C1CCOCC1 1469634352 HEJJQKSRSKLPKH-HXUWFJFHSA-N 437.537 2.097 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1471087749 HQZHLMQVVIVRCZ-UHFFFAOYSA-N 434.544 2.357 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)N(O)CCCCc3ccccc3)cnc21 1472619913 IWMZZQWRGXXEAR-UHFFFAOYSA-N 434.294 2.133 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1504886325 CLUFAVYEOIBEOP-OZQHCQBDSA-N 435.569 2.103 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cn[nH]c1 1507544299 ZYANDAQNSFFOAL-HXUWFJFHSA-N 432.576 2.067 30 10 IEEE C#CCN(c1nnc(CC)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507635721 YVGSLQFFPRTKNZ-SFHVURJKSA-N 446.573 2.117 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1(N2CCOCC2)CCCCC1 1507714205 JRWKIRGDUYIFFC-HXUWFJFHSA-N 431.581 2.251 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C 1507846285 HJIVAXBKTVFOPM-UHFFFAOYSA-N 439.564 2.460 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507884990 PAUKLYZYFJCLFA-LJQANCHMSA-N 425.533 2.454 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1507999623 OWPWXNFXIQOZLQ-LJQANCHMSA-N 442.545 2.010 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1508223541 JWTNIHIZNNNATR-BWAGFHJFSA-N 448.543 2.019 30 10 IEEE CC(C)Cc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509170195 BIMYELOJRRETFB-ZREAOVPFSA-N 442.564 2.256 30 10 IEEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCOC1(C)C 1512564967 GHGVDWVMWXQXGL-CYBMUJFWSA-N 436.438 2.499 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1516222407 NQJCVXPYILQXSB-QFIPXVFZSA-N 428.537 2.221 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1519386097 VLYWDWZDIUDEFS-XMSQKQJNSA-N 443.573 2.174 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 1527273644 GDMKIZQIXOQKKV-HDRDJLNBSA-N 432.546 2.133 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(C#N)cn1CC 1528979206 GHVZLCRRRYOQSP-UHFFFAOYSA-N 430.486 2.249 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539224427 GWTJHYCGKFXGQV-AZUAARDMSA-N 447.649 2.368 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)no1 1539408752 BSMHGEDHXAQEQK-UHFFFAOYSA-N 447.499 2.106 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)cc2OC)CC1 1539453772 QLSNYLHQSIYILO-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1539454337 LVRQWPMTOXHGPL-IRLDBZIGSA-N 437.588 2.500 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539632388 RFLGBFZSWRTOGZ-FHWLQOOXSA-N 431.581 2.458 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)CC1 1539875336 WEURIWJCLNFIMQ-MRXNPFEDSA-N 425.599 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)c(OC)c2)C1 1540882224 DSAFFJXDGAMLAA-AEFFLSMTSA-N 449.577 2.035 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)C1 1540960000 HZYDKVRZZRPPFL-GOSISDBHSA-N 434.504 2.464 30 10 IEEE N#Cc1cccc2[nH]cc(C(=O)NCc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)c12 1541027986 FEGXDEYGELDPBI-QGZVFWFLSA-N 438.509 2.427 30 10 IEEE CC(C)Cc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541439478 UIUYHWKXDAUUKU-QBEKEKFNSA-N 442.564 2.134 30 10 IEEE Cc1ccoc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1542097172 HIQNTBSDOLDOFS-HNNXBMFYSA-N 428.518 2.346 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1555267041 PARCYZOBCHUDPR-IBGZPJMESA-N 449.490 2.159 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1555552738 GFWSYAKJNKCZGI-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC(F)F)c1 1555793605 UYQVZJSNHXVPSN-GOSISDBHSA-N 443.451 2.420 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)C1 1555798611 ICCKUTKQODYGKX-HNNXBMFYSA-N 425.461 2.069 30 10 IEEE C#C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1 1564999746 OXMNXSDWDCGNML-PXNSSMCTSA-N 436.350 2.038 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1565063228 KGAANKLERCCJAH-QFBILLFUSA-N 446.573 2.332 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1F 1585446078 PAUSTRIKYJMDRK-LJQANCHMSA-N 429.473 2.375 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1587813302 LODBPLDNBWNIFE-OAHLLOKOSA-N 446.353 2.016 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(C)cc1 1588228982 OIMKJILPHIPXTD-WOJBJXKFSA-N 440.569 2.419 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccc(OC)n2)CC1 1589028126 ZGMHQHQIIHQOEB-UHFFFAOYSA-N 439.545 2.338 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1593722211 LZCUEIFMXGHUSJ-SFHVURJKSA-N 441.532 2.271 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1593757540 HQTILEUGKYXTJS-GOSISDBHSA-N 437.548 2.072 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)cc1 1596954387 UCZNDBFEYVDMCI-JOCHJYFZSA-N 433.505 2.193 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3cccc(SCC#N)c3)CC2=O)C1 1603252961 GVFBNQHRDIAMTF-OAHLLOKOSA-N 430.530 2.252 30 10 IEEE N#Cc1cc2cccnc2nc1N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1611775880 UJZBNLKXKJRVDO-UHFFFAOYSA-N 433.415 2.430 30 10 IEEE Cc1ccc(N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1612095373 ZWSNTBVNNYPPCD-VZCXRCSSSA-N 432.488 2.281 30 10 IEEE N#CC1(C[C@@H](O)CN2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CCC1 1616441727 OUICKKDRXOYSMW-LJQANCHMSA-N 428.558 2.376 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@H]([C@@H]2CCCO2)C1 1617304792 ALBZKCAZGDVGEB-HOJAQTOUSA-N 448.541 2.337 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1619006923 KAKLEJNOBBZNJR-NFBKMPQASA-N 441.532 2.395 30 10 IEEE C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1624022593 CSYLCMWLCSPEAD-OAHLLOKOSA-N 426.844 2.129 30 10 IEEE CCN(CC#N)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1626567883 AHKGSHVANXWHHB-UHFFFAOYSA-N 427.299 2.121 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(N)c1 1626627307 CRLDMARJYKTCIU-UHFFFAOYSA-N 435.509 2.055 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)C1 1627632678 HJNOGVSRGOOUOT-UWCWSIQASA-N 444.454 2.053 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)c1C 1634929003 UCZZGBPIZUJMOR-UHFFFAOYSA-N 436.472 2.216 30 10 IEEE COc1cc(OC)cc(OCCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1636030409 FJIRNNGYRMJFCA-UHFFFAOYSA-N 436.461 2.339 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2COC(=O)NC(C)C)s1 1636032897 UFRJMYOQCPCXBR-HNNXBMFYSA-N 443.591 2.271 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c1 1637911626 FLWFTUGMZBPUGG-UHFFFAOYSA-N 445.472 2.319 30 10 IEEE CNc1cc(I)ccc1C(=O)N1CCC(C#N)(C(=O)OC)CC1 1640588434 KADGQCOXVTZSAT-UHFFFAOYSA-N 427.242 2.252 30 10 IEEE CNCCCc1[nH]nc(NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)c1C#N 1641124494 NBVTUYCIJFYQJB-INIZCTEOSA-N 433.310 2.012 30 10 IEEE N#Cc1cnn(C(=O)[C@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)c1N 1641560224 LXEURMZAKPMPIB-SWLSCSKDSA-N 437.319 2.033 30 10 IEEE C#CC[C@@]1(C(=O)NC2CN(c3nccn4nc(C)cc34)C2)CCCN1C(=O)OC(C)(C)C 1648845348 OLDODTQAVRIVQN-QHCPKHFHSA-N 438.532 2.136 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1649662451 OXFPRPCFEPWZDK-UHFFFAOYSA-N 438.561 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCO[C@H](c4cccc(C#N)c4)C3)OC2=O)C1 1658096746 QWNRLVDVOMYKQA-MOPGFXCFSA-N 427.501 2.484 30 10 IEEE CC1(C)OC[C@@H]([C@@H]2CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CCO2)O1 1660046080 MWYDVDLOHKKYEZ-ROUUACIJSA-N 426.435 2.025 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CC1 1671533477 MUYFZHLRXJKPLI-UHFFFAOYSA-N 428.514 2.406 30 10 IEEE C=CCN(C(=O)NCC(=O)Nc1ccc(I)cc1)[C@H](C)COC 1681070990 FEGGIDAHCWZOMN-GFCCVEGCSA-N 431.274 2.462 30 10 IEEE O=C(NCc1nc2ncccn2n1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1683255031 WWPLCKKJZMWPKW-HTQZYQBOSA-N 444.286 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCN(CC)CC1 1689847775 HSLYTGRBWBSGHS-SFHVURJKSA-N 448.575 2.079 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1689941516 QWGNBGRIPAGQDA-AUSIDOKSSA-N 431.581 2.033 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689983728 GATFHQQWBGAFRN-XPIZARPCSA-N 434.562 2.270 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOCC1(C)C 1690067779 KESPARPEXRZDQE-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1690122358 OSBDVCDYIFVFBV-UHFFFAOYSA-N 427.574 2.143 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCOc2ccccc2)CC1 1690175011 NZHXBLIIDJLILT-HXUWFJFHSA-N 441.601 2.349 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1690257210 ANVGJDRBLXDMRK-XLIONFOSSA-N 426.583 2.156 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690347387 CQDHELQVCNFOTA-MRXNPFEDSA-N 444.923 2.103 30 10 IEEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNS(=O)(=O)CC)CC1 1690380393 MXVDKNOVKWBCBF-UHFFFAOYSA-N 428.562 2.377 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COC)C1 1690700143 OEDZCOVQZOQRQA-UXHICEINSA-N 446.573 2.156 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690750130 ASNSGOGDWNYZFA-LPHOPBHVSA-N 443.573 2.500 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1690994036 UWEJVXTXCWXSLU-YJBOKZPZSA-N 446.939 2.263 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690999973 UCSQCRGENSWZDH-QRQLOZEOSA-N 443.577 2.140 30 10 IEEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCCOCC(F)F)C2 1693441111 FSMVFPWZHSETII-UHFFFAOYSA-N 428.447 2.409 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1696885709 OOEYDVUOOOVONM-WOJBJXKFSA-N 434.422 2.467 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1O 1697452561 BDZPZFMTEIDGFX-QGZVFWFLSA-N 445.545 2.073 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1705549807 JAISFIWDWICSJZ-JOCHJYFZSA-N 438.557 2.173 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1705550913 BDFYAOUNTWMGSM-ZWKOTPCHSA-N 431.562 2.070 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705569084 YYGCTMQRKBRBKB-OAHLLOKOSA-N 442.463 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCn2cc(C)cn2)CC1 1705649399 WIMGZXQKJXJTKL-UHFFFAOYSA-N 435.507 2.255 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1705700875 ZQBCUSWFNGIACC-MKXGPGLRSA-N 438.594 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705933241 YUEAUAGMNUKKKG-ZWKOTPCHSA-N 434.562 2.094 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1709903157 MHXLAJQCWMQXCO-UHFFFAOYSA-N 448.506 2.156 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1709937840 BCXWZDUEGVMKHW-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)C1 1712875297 BPPMLTQXMXPWKQ-BTYIYWSLSA-N 430.459 2.183 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@@H]2CCOC2)CCO1 1712884357 KLBWSYOVIKOTOZ-AZUAARDMSA-N 429.496 2.180 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(F)F)C1 1712913207 XMVDXSRAZPWLLU-LAVFMPCWSA-N 431.447 2.281 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722318539 DZDPPEWGRBCYGE-LJQANCHMSA-N 439.564 2.409 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722333122 SDFPHGLKRJQCHS-NJDAHSKKSA-N 442.608 2.012 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722337519 CMPADGQDJZXLDV-QGZVFWFLSA-N 443.573 2.457 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(OC)ccc1OC 1722357352 ZYWPLCFIKCDHAM-UHFFFAOYSA-N 425.514 2.405 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1722368528 SPPRFTQBNDUBKY-QZTJIDSGSA-N 445.564 2.133 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722371820 YRIDQVSOIFYYKE-CHWSQXEVSA-N 438.497 2.009 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1722398972 GVJFBFUQGZCYNU-UHFFFAOYSA-N 426.524 2.477 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](OC)C(F)(F)F 1722407825 TXXNRSMHPDSVLS-INIZCTEOSA-N 434.426 2.348 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722533642 WLKPRICEXDGVLZ-UHFFFAOYSA-N 432.613 2.204 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722694142 MMOCNPJFIIHFJM-HKUYNNGSSA-N 436.560 2.260 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccoc2CC(C)(C)C1 1722727799 RIHBAXOPNSKROB-INIZCTEOSA-N 447.561 2.012 30 10 IEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722736200 UMQJLYBUWKGYOB-INIZCTEOSA-N 428.562 2.429 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1723715123 JQQAMIABDQPWFK-UHFFFAOYSA-N 426.521 2.246 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1724018265 QDCJDNZTURJWBG-IIBYNOLFSA-N 430.459 2.353 30 10 IEEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1728107075 FSYATELLGKEINX-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CC=CCC1 1729745631 UVXLUAGCBVASKG-SFHVURJKSA-N 444.561 2.070 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)N1CCOCC1 1740600112 IHMCLYWIJLSIGJ-UHFFFAOYSA-N 432.528 2.281 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CC[C@]2(CCOC2)O1 1740687059 QKGQLWFGKPDOTM-HYBUGGRVSA-N 440.544 2.302 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1740729508 IQIVHRKAELSSIF-OAQYLSRUSA-N 428.558 2.185 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740949669 OKVQVLZVQZRUMD-CVEARBPZSA-N 431.541 2.092 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740957283 ISZVHLHHISSOPK-UHFFFAOYSA-N 430.516 2.164 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740984253 YRBLEASLNAMBOY-ZREAOVPFSA-N 440.548 2.319 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1741133236 ONHKFIKMWAJPKY-VQIMIIECSA-N 435.507 2.343 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741392371 OMBKSUDXJZTONE-XZHYIPMRSA-N 428.537 2.323 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[C@H]1CCOC1 1741683763 MHNONTGPDJYXBC-PXNSSMCTSA-N 438.532 2.292 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1744073542 NWLLGRVQWKPNJV-ZPHPHTNESA-N 443.552 2.102 30 10 IEEE CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1745943821 JIPLTTKXRKPTER-ZZEZOPTASA-N 437.460 2.368 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C1CC1 1748789865 PANHSZTWMKYAAM-GOSISDBHSA-N 432.569 2.140 30 10 IEEE COc1cccc(Cl)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1748959060 DAMWEIPAGISCJO-ZIAGYGMSSA-N 437.953 2.486 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1748962501 JVMYXHFHIDPWRJ-LJQANCHMSA-N 443.523 2.136 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F 1749035736 GBBORFCKJBQNIW-NRFANRHFSA-N 432.475 2.389 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749044239 PXHMNPWOEFTGHC-UHFFFAOYSA-N 427.578 2.031 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749209010 JFHSWKZXRBSGHF-BJLQDIEVSA-N 427.553 2.473 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@@H]1C 1749219530 LFODZQJTRMLNRV-INIZCTEOSA-N 426.550 2.455 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(=O)(=O)CC)CC1 1749335115 OVKRUAMDDLTYEF-UHFFFAOYSA-N 447.561 2.406 30 10 IEEE COCc1cc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)ccc1F 1749423277 BYYACEOYFGBDLI-NRFANRHFSA-N 430.459 2.176 30 10 IEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1749477967 BRWRQXVZPWKBFJ-SFHVURJKSA-N 447.561 2.026 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1749680878 UTUVKIXQLSNMSV-QHCPKHFHSA-N 441.532 2.175 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749709156 OAENYBALYNSGCS-MSOLQXFVSA-N 438.594 2.311 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760132457 IRDCDCUVVWKOJY-KRWDZBQOSA-N 425.489 2.407 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760208763 IYPFOWWTBXTXRO-UHFFFAOYSA-N 449.559 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nncn1-c1ccccc1 1760212626 YZOPFNCGQIDCKG-XMMPIXPASA-N 445.527 2.022 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1760441058 XLJGLHLHAVFBEY-INIZCTEOSA-N 436.557 2.125 30 10 IEEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1760474596 ZXEVPDTULDMMGA-UYAOXDASSA-N 430.597 2.270 30 10 IEEE CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1760818971 ZFIBZGKVLBMOQN-MSOLQXFVSA-N 431.500 2.440 30 10 IEEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)n1 1762673336 SHKNBKAPUBEICE-UHFFFAOYSA-N 436.520 2.492 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCCO1 1762694533 UMERTVKYTCEJFG-PXNSSMCTSA-N 438.532 2.069 30 10 IEEE C[C@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCC(C)(C)O)CCO2 1763278438 DDDGHRUGYZBWFR-HXOBKFHXSA-N 441.532 2.274 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1763934226 HIKJDTVKZYNXLW-QGZVFWFLSA-N 436.564 2.444 30 10 IEEE COc1cc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)cc(OC)c1OC 1768302007 FNYHWFPKRRHDRI-MRXNPFEDSA-N 438.488 2.086 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1769736308 TYGHJDDNFKULBS-INIZCTEOSA-N 428.493 2.042 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCSC(F)(F)F)cc1 1770740004 GELBSWFRKORPCZ-AWEZNQCLSA-N 437.451 2.284 30 10 IEEE COCCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771020408 HHBHTFHYQYXGOT-PKOBYXMFSA-N 440.552 2.323 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCc2ccccc21 1771222515 JCDANZJFVDPETI-GGPKGHCWSA-N 440.548 2.182 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccccc1 1771295292 LFDIBADGYRTPMQ-DBXVSBKESA-N 429.496 2.352 30 10 IEEE COc1nc(=NC(=O)c2cc(Br)cnc2N2CCCCC2)c(C#N)c(C)[nH]1 1851142726 BPAWPOIFWORVQN-UHFFFAOYSA-N 431.294 2.487 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1F 1851941680 ACKLISSPKFJETO-LLVKDONJSA-N 435.399 2.358 30 10 IEEE Cc1c(Br)c(C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)nn1C 1852158042 VHWPSRSNJBYTMC-UHFFFAOYSA-N 431.234 2.365 30 10 IEEE Cc1cc(F)ccc1N1C[C@@H](C(=O)N(C)c2snc(N3CCOCC3)c2C#N)CC1=O 1852372989 KXMXWACYPTURKK-AWEZNQCLSA-N 443.504 2.315 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)n1 1853227823 RHHOSSAOAKVEIK-UHFFFAOYSA-N 446.433 2.412 30 10 IEEE Cc1ccccc1N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nccc(N(C)C)c1C#N 1853240898 FYZKLILLEZRZIQ-IBGZPJMESA-N 427.530 2.416 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)C[C@H]2CCCO2)c2ccccc21 1853908291 LQEBRTYKDZKSDD-MRXNPFEDSA-N 425.466 2.196 30 10 IEEE N#CCS(=O)(=O)N1C[C@H](OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CO1 1854138197 NNQVQVQUTBHYRZ-NSHDSACASA-N 432.298 2.350 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1854717199 PPFMKGNUGIFUBE-ZDUSSCGKSA-N 449.891 2.341 30 10 IEEE CN(CCC#N)[C@H]1CCCCN(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1856430828 LLLHUHKTVKEETO-LSDHHAIUSA-N 428.480 2.384 30 10 IEEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1856963138 ONIDQEZMOFFOPH-LJQANCHMSA-N 431.558 2.241 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862592227 YBFNFXKQFUWXIO-OAQYLSRUSA-N 438.480 2.311 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN(C)C)=C(N)Oc2c1c(C)nn2C 1864316799 OYTAAFJRPDZCEN-LJQANCHMSA-N 425.533 2.056 30 10 IEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1 1865722960 DVBTVOSNHSUSTF-KRWDZBQOSA-N 440.544 2.255 30 10 IEEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1870109498 WUVFSCSBVCRGGJ-LJQANCHMSA-N 425.452 2.057 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C(C)=O)cc2)cn1CCO 1870400201 WIKGHRJJRTZIIZ-UHFFFAOYSA-N 439.512 2.235 30 10 IEEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870450125 PUISKXZLLRGFJM-UHFFFAOYSA-N 435.565 2.425 30 10 IEEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SC)cc(Br)c1O 1874429991 MXQHCOUVAHDIGA-CNHKJKLMSA-N 428.312 2.385 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)c1 1890058995 NHFHSNNYUSYZKA-IBGZPJMESA-N 427.545 2.059 30 10 IEEE C#CCOC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 1891640654 JALPJHQRAOEDJT-AWEZNQCLSA-N 430.979 2.443 30 10 IEEE C=CC1(NC(=O)CCN(CCCO)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1902590380 ZENFIBDSYHTXSL-UHFFFAOYSA-N 427.542 2.288 30 10 IEEE CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2073246151 PXRMUJDNXGMKFS-QGZVFWFLSA-N 434.342 2.224 30 10 IEEE CC1(C)OB(c2cncnc2N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2116069117 MPBSUECPXBWPSS-SFTDATJTSA-N 436.365 2.256 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669146 AMGXEFJNSJFXPT-WMLDXEAASA-N 447.341 2.249 30 10 IEEE CC(C)(C#CC(=O)O)NS(=O)(=O)c1cc(Br)ccc1Br 2202784266 WCEQGYVVJYQXCB-UHFFFAOYSA-N 425.098 2.357 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2224138646 CTRKDCCZLJHQRT-NVXWUHKLSA-N 433.358 2.093 30 10 IEEE CN(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2243435782 XARWGAKPUQNSCW-UHFFFAOYSA-N 436.408 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2247780144 FUAGVGANWBERSM-UHFFFAOYSA-N 437.371 2.245 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H]2COC[C@@H]12 2254805586 LZUPCYWLYMWRBR-GVDBMIGSSA-N 431.342 2.109 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631369 XPLFBBGXDYXERV-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632312 LJPQADBHDWZFNT-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825817 GIBSVUODGQMAQR-UHFFFAOYSA-N 429.326 2.014 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255940032 FKGBVHWSMMLSRL-OAHLLOKOSA-N 432.326 2.431 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256062160 QWGOISCIKQBPBW-AWEZNQCLSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1CCOCC1 2256676834 QZUJYGYMUKPTFI-QGZVFWFLSA-N 436.358 2.305 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCCOC1 2258963776 XIZYBOOENFSNPB-QFIPXVFZSA-N 436.358 2.449 30 10 IEEE Cc1nn(C)c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267200308 VCNYCDAEEHJOSE-IBGZPJMESA-N 438.381 2.374 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267282658 FNMLRPMWLJZBCQ-WBVHZDCISA-N 449.357 2.068 30 10 IEEE Cn1ncc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2267508606 HRBTYNPNBKDWHX-UHFFFAOYSA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2267520556 OALFTVOMOAVJIV-RCDICMHDSA-N 446.357 2.038 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)c(O)cc2O)[C@@H](C#N)C1 2267766336 ATFOOKREUVLWBM-JTQLQIEISA-N 426.267 2.445 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267872155 GXGZZMBEKLJHRF-OALUTQOASA-N 434.349 2.122 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268637217 KURHVZJDGPGCSY-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268716147 SYHKFENWCPIJDQ-CVEARBPZSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268719026 XJSNJDOQWBBGGE-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271394748 KPCHBZDCBWFXDF-GOEBONIOSA-N 448.373 2.237 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)cc1F 2296624487 MVQYKWSTWXZAFC-IBGZPJMESA-N 430.432 2.181 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1OC 20806343 ZFWGGXRQRFVGBG-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccco2)C(=O)C(=O)N1CCCN1CCOCC1 103091843 DTFNFPKFMPJLJM-GOBJLOIFSA-N 426.469 2.432 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 409623088 XIZLYCCQHIDDHF-OAHLLOKOSA-N 426.489 2.400 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1C#N 427130355 HRXIPGWEJOBPRZ-AWEZNQCLSA-N 434.543 2.483 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)NCc1cnc(N2CCOCC2)c(F)c1 462729482 QKSURDCBBGOPPD-UHFFFAOYSA-N 429.452 2.276 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 478429487 PLLJUUIDKNXGGO-UHFFFAOYSA-N 447.944 2.209 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)n1 479385738 POHXUHOBCFDMFJ-INIZCTEOSA-N 441.553 2.001 30 10 IEEE CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccc(OC)cc1 503645922 XWEQYAHKKIVTMD-NZQKXSOJSA-N 440.544 2.359 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)cc1 503702551 ISWXQEXYXXKWLJ-SFHVURJKSA-N 444.476 2.201 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCSC3)C2=O)cc1 504691947 ZADVFFBKFSBZIV-GBESFXJTSA-N 442.541 2.276 30 10 IEEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 508795398 NSPOUJGLBMPPKT-UHFFFAOYSA-N 431.562 2.370 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 508898288 PSXJUGNBPNZNOO-HXUWFJFHSA-N 434.968 2.437 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1 513906383 XLCGDFZFDLLWQZ-JOCHJYFZSA-N 427.526 2.045 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 520894938 QZINPOKPVHTMQD-QGZVFWFLSA-N 425.938 2.195 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 553062715 GFNZOTWXDOLYNE-ZWKOTPCHSA-N 428.539 2.129 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)c1 590943189 YLRLGRGWDGHJGB-UHFFFAOYSA-N 447.560 2.491 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)N3CCN(c4ccccc4)CC3)cc2C1=O 642547010 FTLRJJLJOLKROV-SFHVURJKSA-N 432.524 2.409 30 10 IEEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1 730710614 OSBJBVVXEHXAEA-KRWDZBQOSA-N 429.546 2.491 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)/C=C/c1cccc(Br)c1 733316257 LMFKZSCWQBYAQQ-LHHJGKSTSA-N 428.352 2.297 30 10 IEEE C[C@H](CC(=O)OCc1noc(Cc2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 745498309 VOXWYLPCQMPTNY-CQSZACIVSA-N 440.481 2.221 30 10 IEEE CCn1cnc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)c1 753065718 KKOLCLWIKFNPPQ-FXBPSFAMSA-N 439.563 2.297 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 755104312 ZULBTYYQYWGKFT-KRWDZBQOSA-N 430.505 2.057 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 755622412 WTCDFIHUBAEIMY-INIZCTEOSA-N 427.551 2.276 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(Br)c(F)c2)c1=O 758051922 PFKCMCGUKVJJDS-UHFFFAOYSA-N 433.302 2.173 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)c1C 758059314 JZCQBWIATXFWRE-LJQANCHMSA-N 442.589 2.237 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(C[C@H]3CCCO3)c2=O)cn1 772276216 AKMCWZLQKIQUNB-LJQANCHMSA-N 446.532 2.080 30 10 IEEE C#CCN(C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1CCS(=O)(=O)C1 774154654 UHYGTMNPJKZTSM-SFHVURJKSA-N 432.542 2.102 30 10 IEEE N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 774325712 YQFSRVPDMSEUGQ-OAHLLOKOSA-N 439.396 2.219 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 776136689 BQHRUJFCEBTEEM-OYLHUBKDSA-N 437.422 2.110 30 10 IEEE CC(C)[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(F)(F)F 787962951 OBZXVQUOBNNRBO-BGHCKBSUSA-N 448.467 2.141 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)n1 789087357 ZGODHKKMBIPEFZ-UHFFFAOYSA-N 436.415 2.205 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)n1 789166774 RTCPPRYPFFBMFI-LJQANCHMSA-N 447.898 2.272 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 789328878 JGKFRZOECIRGOM-FQEVSTJZSA-N 439.537 2.059 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C1 789727721 HHPRKJJSNXPVRJ-KGLIPLIRSA-N 431.493 2.320 30 10 IEEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)C(=O)NCc1ccc(C#N)cc1F 804161849 CSTJQFWNZOXNGI-GUYCJALGSA-N 448.495 2.190 30 10 IEEE COc1cc(C#N)ccc1OCCOC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 805387335 CREZMLIUKNLACQ-UHFFFAOYSA-N 432.498 2.426 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(C(C)(C)C)n[nH]1 814435570 MHHZNSCBFORYGX-CQSZACIVSA-N 433.534 2.443 30 10 IEEE Cc1cc(C)n2nc(CCCNC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)c(C#N)c2n1 826760155 WAVFLRNLLAALLJ-QGZVFWFLSA-N 434.500 2.412 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)CON=CC(=O)Nc1cccc([N+](=O)[O-])c1)CC2 836321645 HYNYAHQMUCCCOF-UHFFFAOYSA-N 442.428 2.138 30 10 IEEE Cc1cc(C)n(C(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)n1 1083912987 ZUKUOLKIMQSVMP-UHFFFAOYSA-N 445.421 2.313 30 10 IEEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)Nc3nnc(CC)s3)n[nH]2)c1C 1084330836 OKXWAZJEPMILRA-UHFFFAOYSA-N 446.566 2.395 30 10 IEEE COc1ccc([C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C2CC2)cn1 1131823496 SQKWMMSJMLYNHX-RXVVDRJESA-N 433.468 2.434 30 10 IEEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1135005885 LGGHDMLBLARFFN-INIZCTEOSA-N 441.488 2.368 30 10 IEEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1136616864 ITDASHNDVZNXGC-YOEHRIQHSA-N 438.550 2.359 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1141144512 BKDFVZXDWLQTEP-NRFANRHFSA-N 441.553 2.254 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)s1 1153630358 KOQHIJDVEFYMML-GOSISDBHSA-N 428.963 2.432 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCC(C)CC1)c1cc[nH]n1 1156978501 OMVYTHQXDQRTPS-UHFFFAOYSA-N 441.532 2.242 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1167358757 TWBOKFBCJQSXEF-UHFFFAOYSA-N 426.317 2.228 30 10 IEEE C=CC1(CC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CN(C(=O)OC(C)(C)C)C1 1170080651 PPNWNWNPRYRJNJ-LJQANCHMSA-N 430.549 2.212 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2nnn(-c3ccccc3)c2C)c(=O)c1C#N 1183324018 AHMQIBULRUOHQX-UHFFFAOYSA-N 427.262 2.372 30 10 IEEE C#Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1186851158 VASRLKBPVWVHRR-UHFFFAOYSA-N 428.510 2.268 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1=O 1188423659 PXGMGASGBSCLLM-UHFFFAOYSA-N 434.496 2.143 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(Cl)cc1 1286409403 LEFGASDGYNODAE-HKUYNNGSSA-N 446.960 2.294 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286506439 ISSPCSFKFYLETA-AABGKKOBSA-N 433.622 2.433 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286605079 QZPSBTGCDLKVJW-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286712743 JHZYTOXEJKVBPT-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1286745384 VHTLXELNVWTSKI-HXOBKFHXSA-N 443.523 2.386 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286787294 QVWXWHLYTQZWEM-CQSZACIVSA-N 447.952 2.274 30 10 IEEE Cc1nnc(N2C[C@H](C)O[C@H](c3ccsc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290752001 HDGYYYWPKZGPTF-QLTRXWAESA-N 428.518 2.141 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1291878478 WZBZFEVOYKPBTM-IBGZPJMESA-N 445.527 2.443 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1=O 1296120075 LGOMMJQRBUTYFY-UHFFFAOYSA-N 448.474 2.069 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1299183941 AEAVAEGVPCPEKX-WMZHIEFXSA-N 438.532 2.117 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCCO)c(OC)c1 1300030296 DJSBFVHYKWYUQQ-UHFFFAOYSA-N 429.521 2.491 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1300376238 ILTHPMCGYHLSEP-SFHVURJKSA-N 439.626 2.256 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCOC1 1300511562 LYHUVGXMPNKMGR-LJQANCHMSA-N 433.281 2.071 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)c1 1300635110 DEBMQTCCPPCOOP-UHFFFAOYSA-N 433.560 2.484 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCOC[C@H]1C 1300674708 DANRNSXNHJVRAC-HXUWFJFHSA-N 436.560 2.088 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1300981335 YAPLZSHLZWNGPD-QGZVFWFLSA-N 429.521 2.257 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)CCOC1 1301069498 CUDYQGXACMUEOD-XMMPIXPASA-N 435.480 2.440 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1301272122 BWQGJPZMPPMFIG-HNNXBMFYSA-N 434.566 2.275 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCOC1 1301417884 XZBJTYAIBAMVFZ-LJQANCHMSA-N 437.338 2.498 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nccs1 1301424232 IFPXCZVJJVDFDE-CABCVRRESA-N 425.580 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301576088 RTLNIALDSXSBIU-HXUWFJFHSA-N 449.964 2.058 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1302310830 NNNPYJFJWWIKNR-KRWDZBQOSA-N 440.504 2.185 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1303935711 XNNQRCUDCRKIJU-YJYMSZOUSA-N 448.453 2.411 30 10 IEEE CCOC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1(F)F 1312487738 YTKQUWOAKZOWDI-SJORKVTESA-N 434.443 2.284 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315255437 UULIYEMOIVZMDZ-WUKBZCGHSA-N 430.553 2.398 30 10 IEEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccc(C(F)(F)F)n2)CC1 1316535219 GNAVLOFYYFWPKF-UHFFFAOYSA-N 448.453 2.192 30 10 IEEE C[C@]1(c2cccc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)NC(=O)NC1=O 1318315364 LLPSULMCGKHXTH-XMMPIXPASA-N 447.495 2.366 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1358908023 JHRSMKPUPQMBMR-UHFFFAOYSA-N 429.956 2.055 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1358962603 SZGIJKZFEAFFDG-QGZVFWFLSA-N 433.603 2.488 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N[C@H](C)CC)CC1 1359039798 WHLPAUCSMVZTKF-GOSISDBHSA-N 442.539 2.056 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(Cl)ccc2OC)CC1 1359047852 VYKXSNBCFTXBHJ-UHFFFAOYSA-N 445.951 2.491 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359124867 HRHYBPCKWAYMOA-HSZRJFAPSA-N 437.548 2.488 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359129010 NEGSDCMTOZVODK-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1359136997 AYMVNSHPQKAMDP-IRXDYDNUSA-N 433.578 2.388 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCS(=O)(=O)C1 1359261742 UUXMAFZKYDAIOV-OAHLLOKOSA-N 437.591 2.105 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1359316886 YFRZWMRQTJWHMG-IBGZPJMESA-N 434.500 2.277 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1456789061 XSKUKVACFJCOEQ-FQEVSTJZSA-N 439.350 2.310 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(CC#N)cc2)CC1 1457409358 TYAMFQPMCOODPY-IBGZPJMESA-N 426.517 2.437 30 10 IEEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 1469697588 DCFAHMCPNSGLML-UHFFFAOYSA-N 439.468 2.356 30 10 IEEE C#CC1(O)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)C1 1478950862 MDOZWDSNCDXUID-OALUTQOASA-N 429.517 2.178 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)OC 1494974108 FQWQXQCKNRYMOW-YLJYHZDGSA-N 440.548 2.173 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCSCCCO 1495772424 FNYBCPFYAJMWCI-IRXDYDNUSA-N 444.609 2.284 30 10 IEEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1495883201 VPJGKWACDAQRCB-UYAOXDASSA-N 438.580 2.106 30 10 IEEE CCN(CC)C(=O)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1501739355 PZKQKKHHIAUYGZ-VQTJNVASSA-N 438.532 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507629872 XHRUKVSRMTZFHM-RDJZCZTQSA-N 449.964 2.047 30 10 IEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507777259 DHNQZKJVJLFJNK-CQSZACIVSA-N 433.310 2.076 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1507883844 ALVGABHAABPRSP-MRXNPFEDSA-N 437.591 2.287 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccccc1 1507929222 OGMOJLQNDWNVIR-QUCCMNQESA-N 436.560 2.427 30 10 IEEE CCCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1514854227 UXXCPLNZQRXOKO-UHFFFAOYSA-N 444.605 2.420 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1519035276 HFDZZYREHDEETH-MSOLQXFVSA-N 427.461 2.269 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)C1 1519518824 GVHWZELADLZQII-QGZVFWFLSA-N 429.477 2.144 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)C)CC1 1539101548 ATGIGPHKDXIJTK-UHFFFAOYSA-N 444.605 2.139 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539220236 HQSPCOUCGYWKAW-YRPNKDGESA-N 448.589 2.128 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1539444439 OHKBYTMNVSVCRU-UHFFFAOYSA-N 439.564 2.399 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCN2CCC)CC1 1539460173 ZFZUBWQBXSJUDS-JOCHJYFZSA-N 438.624 2.159 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539504237 CALTVGPWTVSOAT-OAHLLOKOSA-N 439.994 2.373 30 10 IEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1540080822 ODYOAVJPIZPCEE-FQEVSTJZSA-N 434.635 2.464 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C(C)=O)CC1 1540853018 HVDFMDKEIZTUGI-UHFFFAOYSA-N 429.569 2.037 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540864669 HTESDJXSFOHANZ-MCPYQZEQSA-N 447.486 2.446 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1541234259 BCOYBKCDPQDHST-SSEXGKCCSA-N 427.578 2.296 30 10 IEEE CC[C@]1(C)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1546074966 DZDTVMJJLDFBCK-BDIWWCJBSA-N 435.532 2.417 30 10 IEEE COCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555498578 LGMZQVUIVJKDJG-UHFFFAOYSA-N 438.561 2.264 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCc3nnc4n3CCCC4)CC2=O)cc1Cl 1556058243 HEQYQXQPWRICCW-HNNXBMFYSA-N 426.908 2.241 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2c[nH]nc2C(=O)OC(C)(C)C)s1 1557204388 WORKHWGCRGPCGZ-UHFFFAOYSA-N 426.520 2.072 30 10 IEEE C#C[C@H](NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)c1ccc(Br)cc1 1561601325 KVUYWGJFTWLROW-HOCLYGCPSA-N 429.336 2.233 30 10 IEEE C#CCOc1cccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1565728208 GPKYDZLXNGMTEP-ATZDWAIDSA-N 448.541 2.307 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2cc(OC)ccc2OC)c1 1567075452 YFMIZXQTYKBQQL-UHFFFAOYSA-N 431.510 2.136 30 10 IEEE CSCC[C@H](C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1583060932 JXZCKCCPCCJACB-FUMNGEBKSA-N 425.554 2.439 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCCc3nc(C#N)ccc32)C1=O 1585177518 HLWKCGSBAJEUBE-QHCPKHFHSA-N 433.468 2.017 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nn(C)c(C(F)(F)F)c2Br)n1 1586565629 WLEDJEZDYSJMSK-UHFFFAOYSA-N 448.243 2.320 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cs1)C(N)=O 1587500908 KSEAFUYPCRRXHY-SUMWQHHRSA-N 447.561 2.200 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H](COC)OC)c1 1587689514 JTIBZJAPRPOQOE-IBGZPJMESA-N 436.516 2.001 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 1587904895 FPVJNOLOLHBMGF-LJQANCHMSA-N 432.523 2.164 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588040736 PTBIAHIRTLRHFG-QGZVFWFLSA-N 436.965 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCOC)cc1 1588170966 PLHWXDFDHAHWSE-UHFFFAOYSA-N 435.528 2.051 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1C(C)(C)C 1589125575 LPEZRSYONQCKKD-MRXNPFEDSA-N 429.594 2.340 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1594963518 ULCZYZZQOAFVEM-QGZVFWFLSA-N 447.586 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)[C@H]1C 1595812316 QTAWHFQELZQUOH-CQSZACIVSA-N 439.607 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595831606 UOEKJUCIKRIDQD-FXAWDEMLSA-N 426.583 2.156 30 10 IEEE C[C@]1(C#N)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CCO1 1598178251 LVXTWZGRAKRFQG-UWJYYQICSA-N 445.520 2.496 30 10 IEEE Cc1ccc(CSCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1612090849 DPOQMUFHYVDZOK-ROUUACIJSA-N 426.546 2.200 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1613224618 XAJGTKNQUZSZBK-LRTDBIEQSA-N 425.493 2.119 30 10 IEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NC(=O)c5ccccc5)CO[C@H]34)n2)c1 1616132850 NVEDZPPSPQIZLA-DXBBTUNJSA-N 427.464 2.392 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2S(=O)(=O)C2CC2)cc1 1618137841 GJLSQTLEKQPVFJ-UHFFFAOYSA-N 433.511 2.067 30 10 IEEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1 1620483545 UAYMVYRNXFKIMW-DEOSSOPVSA-N 425.577 2.340 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)CCO2)cc1 1626962436 GTRLQHFOKMGEHY-KRWDZBQOSA-N 426.523 2.461 30 10 IEEE Cn1cc(CN(CCn2ccnc2)C(=O)COc2cccc(Br)c2C#N)cn1 1627176177 AVFJXBYVGAMGNG-UHFFFAOYSA-N 443.305 2.359 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1cccnc1 1627971332 AXWXGVNOAPXURJ-IZCOPSDLSA-N 428.489 2.199 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(C#N)CCCC1 1628340550 KJDFHQRGNLQSTP-MRXNPFEDSA-N 425.938 2.073 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 1628661735 ACNZLZJNQIVZDF-INIZCTEOSA-N 442.324 2.335 30 10 IEEE CCc1ccc([C@H](C#N)NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1628903970 SMZZHUVJEQEEQL-MSOLQXFVSA-N 435.546 2.354 30 10 IEEE C=CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1635151695 OWWNOPWIDKWXKL-INIZCTEOSA-N 442.603 2.217 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCc1ccc(C(=O)NO)cc1 1635200827 QJRQMHAKKIZUQU-UHFFFAOYSA-N 441.303 2.210 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 1635839282 WUEHXNSSXXNHDY-UHFFFAOYSA-N 440.447 2.360 30 10 IEEE CCOC(=O)Cn1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1639422061 DJRWZABUDWXPGF-UHFFFAOYSA-N 432.278 2.155 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(Cc3ccccc3F)no2)cc1 1644525743 MUHMLKTWFBAOIC-UHFFFAOYSA-N 430.461 2.194 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1 1651801695 GJYKEJTWODTNST-KRWDZBQOSA-N 436.472 2.208 30 10 IEEE C=CCC1(NCC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCCC1 1659445820 AQNXMSSOQUHCTF-UHFFFAOYSA-N 425.533 2.411 30 10 IEEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1)C1CCN(C)CC1 1666180375 FCFQUXPGDPFJMB-UHFFFAOYSA-N 426.608 2.018 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnccc1OC 1689846472 KMCCLCJYZZMAKW-HNNXBMFYSA-N 439.545 2.148 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1689943703 ZZSCMZUMGBKXHW-FQEVSTJZSA-N 436.560 2.429 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCC 1689965822 DQJAWXUPOXVTQC-SFHVURJKSA-N 434.585 2.388 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1689974949 DXFXARDRSMSKDX-UHFFFAOYSA-N 438.315 2.092 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689998628 RQQFISIMUDUCPX-AQNXPRMDSA-N 444.557 2.144 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)[C@@H](C)CC 1690013366 LQCWYVDPFUWZAG-JTSKRJEESA-N 442.589 2.108 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN(C)C(=O)OC(C)(C)C 1690053117 XUPINOAMUYTYPI-UHFFFAOYSA-N 442.564 2.120 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690349187 OVEAMAYXPLJGKD-INIZCTEOSA-N 436.969 2.214 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1690586016 DDULFSBHSHYIER-MUUNZHRXSA-N 434.587 2.438 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1692663193 RZPQAZWMBCABKS-CQSZACIVSA-N 441.927 2.191 30 10 IEEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c(OC)c1OC 1697457898 CFJJAYSFKYMCOY-HNNXBMFYSA-N 442.520 2.070 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1705503056 OFEBHXFGUULQCZ-DZGCQCFKSA-N 432.322 2.356 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705565034 RRFIKRRRPXQVLJ-LJQANCHMSA-N 429.590 2.220 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705584262 DBVYIQCXGAVJJV-SFTDATJTSA-N 435.572 2.450 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1705609548 IAXMOGVPHLQBRP-IBGZPJMESA-N 438.576 2.407 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1705861016 YUJXJOHRJJABBP-XXBNENTESA-N 436.516 2.099 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705891531 JZOXEXMPHVZYOT-UHFFFAOYSA-N 438.557 2.351 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1705924349 CSCYDQMQBQDPDT-CVEARBPZSA-N 437.953 2.058 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1706070567 MOISJHJQQWHCJF-BTYIYWSLSA-N 446.939 2.263 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1706072975 JAZHJTRBPFOSCS-HNNXBMFYSA-N 427.509 2.004 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1706601116 CYSQEKMCQFHBKL-GCJKJVERSA-N 430.553 2.275 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCCNC(=O)OC(C)(C)C 1706751957 XRFQFDFPSYAOGD-INIZCTEOSA-N 433.557 2.444 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1709654085 UZISSGDRMQVHEB-LJQANCHMSA-N 447.547 2.126 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1709829912 GIXKNUSLSNUDQN-UZUQRXQVSA-N 438.532 2.117 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C 1710204547 CLYIAWCXEBAKEL-DLBZAZTESA-N 442.589 2.313 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCO[C@@H]1CCOC1 1710748797 CXOMKASCUCQHBK-NHCUHLMSSA-N 441.532 2.460 30 10 IEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1711217537 GQVYXNPHZKTLCC-UHFFFAOYSA-N 448.531 2.107 30 10 IEEE COCC1(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCCC1 1712190382 RAKQUDXEMUEVLS-LJQANCHMSA-N 443.596 2.190 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 1712702118 HESAPUZJXJTHQM-IBGZPJMESA-N 429.546 2.114 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN(C)C(C)C)CC1 1722435332 GNZZSWGTVOZGIU-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1722447158 GCTIDFWMXRMFBW-FQEVSTJZSA-N 437.544 2.113 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCSC1 1722678033 JDZHZGJAMYKJFO-MRXNPFEDSA-N 426.550 2.313 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1723777897 LIILFPFEENBLPX-GOSISDBHSA-N 437.548 2.024 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)CN2CCOCC2)CCOC1 1723878918 ITXBWSONIIEBAH-CVDCTZTESA-N 446.596 2.027 30 10 IEEE COCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1730631657 BMPYCBONXVUGAO-SFTDATJTSA-N 446.577 2.187 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCSCC(F)(F)F)cc1 1731184472 NNJFEOFLEXJCMB-UHFFFAOYSA-N 445.492 2.347 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC[C@H](C(F)F)N1CCOCC1 1740653029 WRCVHAHXKHGZND-HXUWFJFHSA-N 442.514 2.467 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCc3sccc3C2)CC1 1740702810 YBXKZXCWBSYBSE-UHFFFAOYSA-N 440.617 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(SC)c2)CC1 1740704934 WZXSWZBIYARFBQ-UHFFFAOYSA-N 435.557 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(=O)OC)C1 1740952919 QTTKYYZTHUFGQY-AWEZNQCLSA-N 448.321 2.009 30 10 IEEE CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C#N)o1 1741374092 DCVVHJQHAZCOPK-NRFANRHFSA-N 441.580 2.146 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741609635 ILPVJVXHJWKPHL-IBGZPJMESA-N 425.537 2.395 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCCOC)CCOC1 1746729596 XYDLIRYEAOAYIF-QHCPKHFHSA-N 440.548 2.165 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1747770556 LILBEBKFPYJOIN-UHFFFAOYSA-N 436.501 2.152 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCO[C@H]1C 1748831337 LIQYOFRFLHMKCE-VBKZILBWSA-N 447.308 2.459 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC[C@](C)(O)c1ccccc1 1748842653 QVHYKYFQIYFNSO-DEOSSOPVSA-N 431.496 2.376 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1748886567 HMKFKVYGRPQLCU-IBGZPJMESA-N 444.539 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1748896841 MAINGLWLIGKKQR-UHFFFAOYSA-N 444.514 2.225 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749026576 NFPRZNWLQKKTQK-JOCHJYFZSA-N 443.573 2.291 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1749495788 BLEBKJQYEUGALA-UHFFFAOYSA-N 431.544 2.235 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1749520107 ZFMBZRANTMWCFQ-IIBYNOLFSA-N 434.562 2.453 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1749971650 LWTQPWLWBQEWDX-JXFKEZNVSA-N 441.598 2.345 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCCO1 1752271789 MWSGWEYPVDMUIC-XLIONFOSSA-N 438.532 2.069 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CCO1 1752388041 MCGXSXVLFSALLJ-AZUAARDMSA-N 441.532 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1760108391 XRAGLODMUOUHAU-INIZCTEOSA-N 427.530 2.012 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1OC)N1CCCC1 1760192201 GGFNMCLWYNWLSI-NRFANRHFSA-N 448.571 2.335 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760192903 PLESMOHZBBKJOC-SLFFLAALSA-N 449.621 2.021 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1760225383 OPMOCMAXQXSTNS-CYBMUJFWSA-N 425.942 2.058 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2occc2C)CC1 1760255524 KAHCTCDQHUYECP-UHFFFAOYSA-N 439.541 2.054 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)CC 1760295572 GTTXHMTUJRIIIB-HXUWFJFHSA-N 437.516 2.079 30 10 IEEE C=CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1760444523 JYIWOMKXVCQRMG-AUSIDOKSSA-N 446.596 2.479 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1760555958 RGJLJBBHGVTTOI-OAQYLSRUSA-N 434.537 2.383 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1)S(C)(=O)=O 1760700688 IEOJRQKZYLHNIQ-CVEARBPZSA-N 441.561 2.051 30 10 IEEE CC(C)(C)c1nccc(CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)n1 1760722069 ZVLWTALGKYOUTC-WMZOPIPTSA-N 425.537 2.231 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760804591 HJODHPVMJAOOCQ-UVDDSOTQSA-N 440.573 2.223 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 1761076527 CUNRAXWVNPRYTC-UHFFFAOYSA-N 433.582 2.412 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1761363457 GMYYBCPBDGDYIZ-SIUCFOQUSA-N 433.516 2.328 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)cc1 1761836971 ANZSHVOVHRPARM-GOSISDBHSA-N 427.896 2.444 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1761997453 BEFTVQKBMFFYIY-DZGCQCFKSA-N 436.358 2.495 30 10 IEEE CCC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)OC 1765565676 DGCLSGNVLHZURK-IVZQSRNASA-N 439.495 2.449 30 10 IEEE CCSc1cc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)ccn1 1766771861 ARPPKZHPSDCNMY-HXUWFJFHSA-N 429.525 2.398 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1768634559 RWSUPFSSWKGXDU-RTBURBONSA-N 429.546 2.115 30 10 IEEE COC[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769424651 VMMFWVWKOXORKL-XGIGFIBQSA-N 436.516 2.334 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1c(O)nc2ccccc21 1769996523 YMPNTOCVERCUSL-VFNWGFHPSA-N 443.483 2.200 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3 1849917195 XXZQEAYROCLCCN-UHFFFAOYSA-N 427.468 2.461 30 10 IEEE Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4nc(C)cc(C)c4C#N)CC3)nn2)cc1 1851654974 OPLCWFOCDZCRMR-UHFFFAOYSA-N 443.511 2.494 30 10 IEEE CCCN(C(=O)[C@H](N1CCS(=O)(=O)CC1)C(C)(C)C)c1nc(C)c(C(C)=O)cc1C#N 1852052070 POYDHYPKVFQRLM-IBGZPJMESA-N 448.589 2.352 30 10 IEEE CN(C)C=NC(=S)N(C(=O)C1CN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 1852597093 DPHPLVBOWHRZHN-UHFFFAOYSA-N 437.374 2.093 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C#N)CC3=O)cc2Cl)CC1 1852798962 PSCXPAKPYGKKBI-CYBMUJFWSA-N 433.896 2.304 30 10 IEEE CCS(=O)(=O)c1cccc(CN(CCCN2CCCC2)C(=O)c2cnc(C#N)nc2)c1 1853567300 VGCCYHQZMGFYEB-UHFFFAOYSA-N 441.557 2.270 30 10 IEEE COc1ccc(F)cc1S(=O)(=O)N1C[C@H](OC(=O)CCc2ccc(C#N)cc2)CO1 1855448728 ARFQYEJMCRLHCF-KRWDZBQOSA-N 434.445 2.186 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccn(CC)n1 1857020424 HQOKZLDSCAPPON-MRXNPFEDSA-N 428.514 2.362 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3c(F)cccc3Cl)C2)CC1 1857042520 ZRMKSTWJRHNSHP-ZDUSSCGKSA-N 427.885 2.033 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)O)cc1 1862608789 WFQCWYODRPTMKK-HXPMCKFVSA-N 439.420 2.115 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN1CCOCC1 1870337794 MBEARTCXQWUACX-UHFFFAOYSA-N 427.501 2.283 30 10 IEEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870526736 YTYCFAYZSBGLTG-IBGZPJMESA-N 439.560 2.045 30 10 IEEE Cc1nc([C@@H](C#N)C(=O)CN2CCN(c3ccccc3F)CC2)sc1C(=O)N(C)C 1872797164 BBUJHZWIASSMAQ-HNNXBMFYSA-N 429.521 2.291 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874280044 ISSGBNIDNJJFLK-BFTVFPACSA-N 445.545 2.146 30 10 IEEE C#CC[C@H](CNC(=O)OC(C)(C)C)Oc1ncnc(I)c1OC 1986463513 FERIXJOAXCHXIZ-SNVBAGLBSA-N 433.246 2.385 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)C1 2020886561 MVMJQQSISCNPQC-JYJNAYRXSA-N 439.553 2.380 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2049162536 MOAOZKDKHPSHLS-MOPGFXCFSA-N 432.370 2.446 30 10 IEEE COc1cc2c(cc1OC)C(=N[C@H]1CNC[C@H]1C(C)(C)O)N/C(=C1/C=C(F)C=CC1=O)N2 2049358809 IXTQNANZDPZION-YPDUSTOLSA-N 442.491 2.028 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2054341228 LOTBGIWTQQECNB-MRXNPFEDSA-N 439.372 2.327 30 10 IEEE Cn1cc(I)c([C@@H](O)[C@H](N)C#Cc2ccccc2Br)n1 2235726222 ORSFEHYTZLFVFR-OCCSQVGLSA-N 446.086 2.200 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)C1 2241456563 MVGRQOHIFJMIHY-UHFFFAOYSA-N 427.501 2.430 30 10 IEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243435734 VXFJMTWFJJIGGQ-UHFFFAOYSA-N 446.400 2.240 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247779555 WBCXSDSLXGGCCE-UHFFFAOYSA-N 439.343 2.067 30 10 IEEE Cc1cc(S(=O)(=O)N(CCO)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2247876658 SWDIDBWAOWPZRL-UHFFFAOYSA-N 431.363 2.477 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255377731 QUYMEGVOFQANEJ-NBMRYCAZSA-N 431.342 2.473 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCN1C(=O)OC(C)(C)C 2255698875 SSUZKCWKQJLFCA-OAHLLOKOSA-N 433.358 2.406 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815513 OTFVHAUJLDKLHR-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255843635 JPVOGFHJCYDZBM-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256013531 FXARWWWJZOSSGT-UHFFFAOYSA-N 434.298 2.395 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2256235458 UYWPCBRYKOYIHE-ZMOMAAQPSA-N 430.314 2.018 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256615381 UFKLSXBEAIWNNT-CJNGLKHVSA-N 433.314 2.002 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258956845 HTMNGDITVGLZPY-KSFYIVLOSA-N 434.342 2.154 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957998 SHWNBTJDIKHGCJ-IRXDYDNUSA-N 436.358 2.447 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267129560 CNJFJJWVPTZXGR-IBGZPJMESA-N 438.381 2.361 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267137706 OUVMFOWZUBSINA-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267186312 HWYUDRHEAFPJNL-JKSUJKDBSA-N 448.325 2.039 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2267261258 SUKAKFUCIXRJAD-WNSKOXEYSA-N 445.369 2.454 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](C)CN1C(=O)OC(C)(C)C 2267495440 MBQYNMKQDQNCOP-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267503726 IFUSHVFYIVOIDC-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872016 RFBGNMVSFSANJC-MJGOQNOKSA-N 436.365 2.416 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268671060 JGSKXDBFXGEBLQ-GOSISDBHSA-N 446.353 2.368 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2300297154 UROCIMORAROZLN-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc(OC)c1O 2331569524 MMFJXTIKYVWKFJ-UHFFFAOYSA-N 434.503 2.208 30 10 IEEE O=C(NCC#CCOc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90728416 MUOZNUKMQDYFRT-UHFFFAOYSA-N 448.928 2.173 30 10 IEEE N/C(=N\O)[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 96710870 JXFALQVWFRUJAE-SNVBAGLBSA-N 427.118 2.015 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1C 103093212 XUMLHYPVHUKNGB-BWHWTHMTSA-N 425.485 2.401 30 10 IEEE CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)/C(N)=N/O 155813680 GVFRQEBRBBYJNZ-SECBINFHSA-N 429.134 2.323 30 10 IEEE CN[C@@]1(C#N)CC[C@H](n2cnc(I)c2I)C1 304471591 ZIQZGEIGBNUXQF-XVKPBYJWSA-N 442.042 2.299 30 10 IEEE N#Cc1ncn(-c2ccccc2NC(=O)c2cc3c(cc2Br)NC(=O)CO3)n1 426823954 FSTZHZPGVMHRFO-UHFFFAOYSA-N 439.229 2.485 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCC#N)Cc2ccccn2)cc1 432184298 FODNYRFLJKKZTD-UHFFFAOYSA-N 436.559 2.120 30 10 IEEE CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 443335506 OFXIZUJMSZFIGK-KLAILNCOSA-N 434.562 2.289 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1cc(C#N)c([N+](=O)[O-])c(N(C)CC(=O)NC(C)(C)C)c1 461452782 KGEFJMLFAKUWQB-UHFFFAOYSA-N 432.525 2.168 30 10 IEEE CN(CCC#N)S(=O)(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 462626180 XITKWQIMPVUNCN-GOSISDBHSA-N 443.497 2.138 30 10 IEEE COc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c(OC)c(C)c1OC 478620841 PENFSYHZXMVLOB-UHFFFAOYSA-N 433.486 2.383 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 486041405 FQXYTIBJSDPLDC-GOSISDBHSA-N 428.514 2.361 30 10 IEEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N1CCSC[C@H]1C#N 501493203 UTLKZOOGIUACDX-CYBMUJFWSA-N 435.365 2.494 30 10 IEEE CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 505782660 HCAVGJAKRKZSBS-UHFFFAOYSA-N 435.484 2.109 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(F)c1 510377765 PYLFQZBFXKCXDO-JTQLQIEISA-N 425.379 2.306 30 10 IEEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 511321748 LHESFHAFSLDLBT-UHFFFAOYSA-N 440.374 2.275 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 522109338 JMUVCQIMHTZVJE-UHFFFAOYSA-N 434.464 2.412 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C[C@@H]3CCCO3)c2=O)nc1 532394598 KPLBVJXNYXUWEF-KRWDZBQOSA-N 449.507 2.317 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1C 535620641 IXSSOTRYKJKSRY-HXUWFJFHSA-N 442.479 2.221 30 10 IEEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 550007465 QRRXDYPUVFTASS-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 558125406 GEOZGITUSUVTPR-UHFFFAOYSA-N 434.949 2.464 30 10 IEEE Cc1nsc(N2CCN([C@@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1C#N 573022438 GSZHYFVIMDOZCL-AZUAARDMSA-N 438.601 2.224 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1OC 586072642 KGPAPAGBDWPPQK-KRWDZBQOSA-N 429.498 2.159 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603645707 UNZAJKXHAWXIOP-UHFFFAOYSA-N 442.545 2.338 30 10 IEEE CN(C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)c1ccccc1 732706785 PHLZJNMTROTFMI-JOCHJYFZSA-N 445.523 2.029 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1=O 733254164 UBFZPYQRBYRGAU-MRXNPFEDSA-N 441.285 2.327 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nnn(-c2cccc3ncccc23)c1C 734292705 FNTUQESJRKCZSX-UHFFFAOYSA-N 432.465 2.423 30 10 IEEE COc1ccc(COC(=O)[C@@H](CO)NC(=O)c2cccc(Br)c2)cc1C#N 747037439 JYCXBZNOLXFWHI-MRXNPFEDSA-N 433.258 2.163 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cc1C 751643488 QCLDHQZLKSAHGX-KRWDZBQOSA-N 447.538 2.206 30 10 IEEE C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 754903406 GAAQKUABBYXFRX-RYUDHWBXSA-N 435.889 2.282 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(N(C)C)c2)cc1 755086628 MLWCPCQLTNSSDE-VZCXRCSSSA-N 436.559 2.366 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CCCCC1 760389227 XBTSCHMKPFAKMJ-UHFFFAOYSA-N 438.571 2.259 30 10 IEEE C#CCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)cc1 769634324 VQSQMNAZGZDFJL-UHFFFAOYSA-N 446.453 2.472 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 781568750 DQLFPZVYGDWWKX-FQEVSTJZSA-N 428.562 2.409 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc2c(c1)CCC(=O)N2C 789968131 JUSLMKNYDAEVJF-AWEZNQCLSA-N 439.545 2.072 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccsc2)C1 790742720 SDAKYFMLOKKBKL-CABCVRRESA-N 435.575 2.152 30 10 IEEE CN1C(=O)N(CC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)C(=O)C12CCCCC2 791985884 YZQKENUKRUXRCO-QGZVFWFLSA-N 425.489 2.062 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cncs2)c1=O 794586087 YPLWNHVNZGOGDM-HNNXBMFYSA-N 437.546 2.163 30 10 IEEE CCNC(=O)C[C@@H]1CCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 803645376 JANHQPXZMXWZPM-KRWDZBQOSA-N 448.589 2.193 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 805787049 ZNQGYGVDPYAWNM-FGZHOGPDSA-N 448.571 2.216 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCOC4(CCOCC4)C3)c2)s1 807247648 DKXYLWOZQQLEPR-UHFFFAOYSA-N 425.510 2.311 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2csc(COC)n2)C1=O 809941486 AEEXYFVZZXYZTK-HNNXBMFYSA-N 429.527 2.429 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(OC)c4c3OCC4=O)cc2C1=O 811030519 OFGAKWYGGITNMT-UHFFFAOYSA-N 435.388 2.092 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(Br)c2)cc1 811830420 OCLSBRLAVLJMSP-UHFFFAOYSA-N 436.283 2.400 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812867642 NNSIUFRQOUBKDL-HXUWFJFHSA-N 431.489 2.020 30 10 IEEE COC(=O)c1cc(Br)cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 813057175 REHMYEJUBZWHNF-UHFFFAOYSA-N 437.271 2.367 30 10 IEEE CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1OCC#N 1084293203 DJVDRQLVXOHILZ-PPOWDTIZSA-N 438.480 2.456 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC)c(C#N)c2)o1 1132547538 GRJIUKPNINRRJG-OAHLLOKOSA-N 447.469 2.128 30 10 IEEE C=C(C)Cn1c(SCC(=O)NCC(C)(C)CS(C)(=O)=O)nnc1-c1ccco1 1133592367 GPVJJTQRAVSNDV-UHFFFAOYSA-N 426.564 2.393 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1 1142363916 WQWJFFZUTHFUII-IBGZPJMESA-N 447.377 2.470 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)CCCCOc1cccc(C#N)c1 1167023761 FQNWQLWMEUCOKK-HSZRJFAPSA-N 447.532 2.222 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1177758748 GDAGCFPHZDSHPA-OAQYLSRUSA-N 431.602 2.425 30 10 IEEE COc1ccc([S@](C)(=O)=NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1178482228 ZTUFDVYPMWOTGF-NDEPHWFRSA-N 435.527 2.197 30 10 IEEE N#CCN1CCC(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CC1 1182646634 NKYNYSKIAFSPSO-UHFFFAOYSA-N 434.468 2.483 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(NC3CCOCC3)CC2)cc1 1198250385 CPEZNGKMPSDPKR-UHFFFAOYSA-N 436.578 2.258 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(CCS(=O)(=O)c1cccc(C#N)c1)CCO2 1198337238 QDTGYRNXCVBNTL-UHFFFAOYSA-N 449.573 2.434 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc2)CC1 1246302378 KSCQLFPKVFHBSF-DEOSSOPVSA-N 432.572 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCCn1cnnn1 1286422377 ZADJKUXKJCDJQA-UHFFFAOYSA-N 439.321 2.247 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1286451102 IEXLHZFSEZNOPF-HOCLYGCPSA-N 428.468 2.005 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCc1ccc2c(c1)OCCO2 1286467020 PUVDTSDYQMXACY-UHFFFAOYSA-N 433.512 2.364 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C/C=C\c2ccccc2)CC1 1286469892 NXYGDMUVZDVNBC-FLIBITNWSA-N 427.512 2.394 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CC)C(=O)C1 1286510265 NWWMYPXZWUYVGD-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1286602341 XMGSHCYYWHVFPV-QHCPKHFHSA-N 443.523 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C2CC2)C1 1286803680 ITRQSLYMKJRAFO-OAHLLOKOSA-N 449.353 2.343 30 10 IEEE CCOCc1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297135776 JYMXSFYLGHCYOJ-JVMRMLDLSA-N 428.537 2.358 30 10 IEEE N#CCNC(=O)CNC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 1297545197 FLSKQPCUWBENJE-UHFFFAOYSA-N 434.496 2.451 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1298631283 BZMONYUJVQNPBO-UHFFFAOYSA-N 430.516 2.331 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1300402603 AUSNENSKXMVFKD-KRWDZBQOSA-N 430.553 2.478 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1300423744 VFTHTQSJGIYIBH-UHFFFAOYSA-N 429.496 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300574761 JLLDPPFJPLCOIT-LJQANCHMSA-N 446.477 2.375 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2csc([C@H](C)OC)n2)CC1 1300697614 FKKZLDPYAYTLKD-WMZOPIPTSA-N 430.578 2.487 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1301186206 TYIUFHFSBIXVGD-UHFFFAOYSA-N 445.593 2.263 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1301508357 ITBUQYRBMLKLFD-IBGZPJMESA-N 427.549 2.235 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC)[C@H](C)C1 1301515188 QPBGOEIHLQTHBF-LJQANCHMSA-N 426.565 2.307 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)c2cccc(O)c2)nnc1[C@]1(OCC)CCOC1 1301520298 WHYSPDAFLSHCCV-AOMKIAJQSA-N 429.521 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC 1301595853 CBLYFDHAVAMEIZ-HNNXBMFYSA-N 427.571 2.407 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1Cc1c(C)nn(C)c1C 1301809842 UVNKIEPCSFUNQW-UHFFFAOYSA-N 428.566 2.399 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1302270007 DLPZQXOJMMEJPL-QCFAMHMHSA-N 446.596 2.241 30 10 IEEE C=CCn1c(SCC(=O)N2CC(C(N)=O)C2)nnc1-c1ccc(Cl)cc1Cl 1302789697 YUKNXPDDJADCLI-UHFFFAOYSA-N 426.329 2.474 30 10 IEEE N#Cc1cnn2c(O)cc(CN3C[C@@H](CCNC(=O)C(F)(F)F)c4ccccc43)nc12 1308012008 JNVKAQIGFXRNEK-GFCCVEGCSA-N 430.390 2.479 30 10 IEEE N#C[C@@]12CN([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1308100380 NNZZRVBISTVQFB-LNLFQRSKSA-N 441.475 2.067 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 1312662236 OLXHQDQMFUAAFT-LMTLIKQPSA-N 439.520 2.074 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1315534497 KALBERPREUQEPW-PKTZIBPZSA-N 438.532 2.474 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC(F)(F)F)CCN1C1CC1 1316538820 AQOAJFKHYRPQIK-KRWDZBQOSA-N 435.454 2.367 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358964103 UAVWAWQIKJBSCH-OAQYLSRUSA-N 443.617 2.213 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1359044947 SBEKEIHGIOUHQN-QKNQBKEWSA-N 443.592 2.343 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1359094398 AROKDGUHBJUGOE-OPYAIIAOSA-N 443.523 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359296891 YAWKVFYKYOLICG-QZTJIDSGSA-N 441.532 2.270 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1359342872 GOSLBZSIQFLKJK-ZACQAIPSSA-N 443.639 2.155 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(C)nc1I 1360035570 QSXIWACPAAJZFP-UHFFFAOYSA-N 437.285 2.100 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1435080771 NXOLKOICICHBAL-HXUWFJFHSA-N 442.560 2.029 30 10 IEEE Cc1c(C#N)cccc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1454554235 OXMFGIMNMNJEKQ-UHFFFAOYSA-N 433.253 2.224 30 10 IEEE COC(=O)[C@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1460465209 FXESBKUXDSPGHH-QFIPXVFZSA-N 428.464 2.307 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3cccc(C#N)c3C2)(S(C)(=O)=O)CC1 1461271460 XOSZGFADYLWKCA-UHFFFAOYSA-N 433.530 2.215 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)cc1 1464274371 VEEVCHIOTBSVSN-XKFWBUCGSA-N 444.488 2.388 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1465073970 DTGOPSDZGWFYCG-XLIONFOSSA-N 436.516 2.438 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 1465089202 XAALYAQVXSODQS-MAUKXSAKSA-N 449.504 2.449 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 1470274263 FQVWABPVRGYRHP-IBGZPJMESA-N 440.443 2.254 30 10 IEEE CC(C)Oc1ccc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1C#N 1472533604 KTDMRPQZLDBSCX-UHFFFAOYSA-N 436.472 2.288 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2nncn2-c2ccccc2)n1 1492734219 GCQBLQXMUGZXNH-MRXNPFEDSA-N 430.520 2.365 30 10 IEEE CN(C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1503385659 HICTUVFMWIDOMU-LJQANCHMSA-N 444.967 2.362 30 10 IEEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 1503671050 AJFMHQMLULICKY-UHFFFAOYSA-N 425.294 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1ccnc1C 1507531691 CASDOYXJNQXKER-INIZCTEOSA-N 430.516 2.338 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507570152 BPYINGVMAKTLBW-UHFFFAOYSA-N 449.552 2.271 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507629901 QQGRHMXOAOBERH-ZWKOTPCHSA-N 445.564 2.195 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1507636554 AHACNKOQJAESSM-IAGOWNOFSA-N 449.602 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1Cl 1507659918 INVBBSQQKFDUHE-CQSZACIVSA-N 437.928 2.192 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccccc1 1507763755 FMMIUAGGYHBPNG-DYESRHJHSA-N 431.562 2.350 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1507798139 RSOOFFAYWAKPDD-IHPCNDPISA-N 437.610 2.399 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1507803977 IAMZWDBARKVPRE-HZUJVAHNSA-N 425.468 2.349 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/c2ccccc2)CC1 1507884100 DRRJYADIAUKMEP-ZGBFETHSSA-N 443.573 2.481 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)CC2CC2)CC1 1507909100 QRYXMGVAZSRSOY-UHFFFAOYSA-N 432.594 2.367 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1508021994 VRTXCDYYLIIJJZ-IRXDYDNUSA-N 430.530 2.199 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1Cc2ccccc2O[C@H](C)C1 1508072659 HLCVAMAVAIUPLM-SJORKVTESA-N 429.521 2.092 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCOCC2)C1 1508118731 WWIUOFMDPVCNEB-SFHVURJKSA-N 444.532 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1508138265 ZIXUCMXEUHDRRI-IBGZPJMESA-N 431.562 2.336 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCN/C(O)=C1/N=CC=CC1=O 1511285087 FJKSCGFYKFBYDV-YIYXVTKBSA-N 433.516 2.300 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H](C)O1 1512496426 FMKPNQAHCHEFME-VJEWJGBVSA-N 429.546 2.253 30 10 IEEE CCN(CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1515710701 AXVYIZDAOFEJIU-LJQANCHMSA-N 446.577 2.309 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCC1(O)CCOCC1 1519166493 HWSDCHGVHQLNOW-UHFFFAOYSA-N 434.928 2.292 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1519264276 ZALBEILZFFVRSE-MRXNPFEDSA-N 426.521 2.279 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)C1 1519507853 GVKUOVOOZWHABI-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](OC)[C@@H]1CCOC1 1528300337 FZNDNDMLMULLLJ-CZUORRHYSA-N 427.295 2.266 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539050269 ZVYTWRIKGLVFNJ-CQSZACIVSA-N 440.367 2.463 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539065774 KNUIKTLJZDVGFY-FCEUIQTBSA-N 442.608 2.312 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCN(C)C1 1539391188 APAAWYGQCOROLJ-DEOSSOPVSA-N 434.519 2.109 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1539397019 WWCMFNMGOKZFCU-UHFFFAOYSA-N 434.562 2.144 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCOC2)C1 1540899348 LCHOAGKLDSINNW-FQEVSTJZSA-N 447.517 2.071 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@@H](F)C1 1541673862 GEKXFPSWENLVLI-SJLPKXTDSA-N 440.527 2.148 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1541805237 MEJOOLUXFFFNLI-QFBILLFUSA-N 435.507 2.486 30 10 IEEE Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1542406871 OJOUPIYPBRZOQN-AWEZNQCLSA-N 446.508 2.485 30 10 IEEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)n1 1543366539 DJAIQUFTFSKHFI-HNNXBMFYSA-N 436.520 2.162 30 10 IEEE COc1cc(Br)c(N)c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1545776978 OZMPLJRJSNZXEY-LLVKDONJSA-N 431.294 2.052 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1546856203 JIECFHFOSWICHM-GDBMZVCRSA-N 431.928 2.275 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)C[C@@H]1C 1554556418 GEXRCEHUCNSTPC-ZDUSSCGKSA-N 438.517 2.302 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC[C@H]1C 1555188492 RTCYIIYRJFPSJD-YLJYHZDGSA-N 436.520 2.272 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc[nH]n1 1557179135 SGWWCZFXPUUSGR-LSDHHAIUSA-N 438.488 2.412 30 10 IEEE Cn1ccnc1[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(C)(C)CO 1557221211 OEIBNXANIKSIJY-QGZVFWFLSA-N 446.349 2.366 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1570624464 YZABJHNCVNQDBJ-LJQANCHMSA-N 441.532 2.205 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)CC1 1586494045 RSDJJRNELWHGJM-UHFFFAOYSA-N 437.496 2.443 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)c(OC)c1 1588138557 FMBRAKSYLFRUCJ-QGZVFWFLSA-N 446.960 2.158 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)OC 1588140400 WLWMNDLCEYYEAG-MSOLQXFVSA-N 431.537 2.084 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nccs1 1588158915 LSMPFPMICVJCHU-UHFFFAOYSA-N 445.596 2.220 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCc3cccnc32)CC1 1588750799 FXFGHCDBJKSXRN-FPOVZHCZSA-N 438.576 2.272 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCc3ccccc32)nnc1[C@@]1(OCC)CCOC1 1595595699 YDUJQLMVXIOMJD-AUSIDOKSSA-N 425.533 2.356 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@H]1CCOC1 1597124376 KLMBXEOYCXZNQI-IBGZPJMESA-N 439.564 2.364 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1COCCO1 1606958630 PPRSEVFPGUYRJM-INIZCTEOSA-N 430.509 2.187 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CC(F)(F)CO3)CC2)c1C#N 1612470902 WYYCZNWPBBXHEP-HNNXBMFYSA-N 448.522 2.240 30 10 IEEE CC[C@@H](C)c1nnc(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613368293 MCTGMFVDGJHAIO-ZZMRYOFSSA-N 428.537 2.179 30 10 IEEE COc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1619251039 RDRNMPGXDCQNCH-ZWKOTPCHSA-N 427.505 2.161 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H](C)O1 1620318686 TZZFGMIMLGMUON-FCEWJHQRSA-N 438.532 2.257 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)C3CCC(S(C)(=O)=O)CC3)c(C#N)c2N)cc1 1621094382 YPTQTPQKJJHQCW-UHFFFAOYSA-N 443.573 2.287 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1)C1CCOCC1 1626232807 GOKFHYVPJTVAPF-INIZCTEOSA-N 449.349 2.277 30 10 IEEE CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628306646 SXRIYPCKDDRVSQ-HOTGVXAUSA-N 440.363 2.229 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)c1nccn1C 1628352273 YTAWTEMWVIOGLH-OXJNMPFZSA-N 437.525 2.059 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C1 1631330392 BIXTVIALTMQZJP-IWFBPKFRSA-N 427.574 2.321 30 10 IEEE C#CCN(C(=O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1633151857 WAXJBOZIUYGMFZ-RTWAWAEBSA-N 448.608 2.409 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H](CC#N)C(F)(F)F 1638790311 GCLHJMWMULESKK-JKSUJKDBSA-N 449.451 2.112 30 10 IEEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 1640606566 GABGCVPHKGAHRK-HSZRJFAPSA-N 433.556 2.129 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)c1=O 1641371200 GPYNALXQKHJLLG-UHFFFAOYSA-N 435.330 2.374 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3(COC)CCCC3)nnc12 1641741022 RAEGWEAKKSTANT-UHFFFAOYSA-N 427.530 2.398 30 10 IEEE CCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1641871073 PBDCBAKQTIJPCS-UHFFFAOYSA-N 439.578 2.441 30 10 IEEE CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 1643324643 BOABZOTUFUPCOH-UHFFFAOYSA-N 438.459 2.300 30 10 IEEE C[C@@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1643853925 GBZKSKBBPPKRBE-HNNXBMFYSA-N 437.562 2.380 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cnn(-c2ccccc2)c1C(F)F)c1cc[nH]n1 1644112710 RGKOXJNEDRNZKS-UHFFFAOYSA-N 432.387 2.456 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(Cc3nc(C4CCC4)no3)CC2)CC1 1644135701 QZMOQNVRSDBBCR-FQEVSTJZSA-N 428.581 2.284 30 10 IEEE C[C@H](CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1644287846 AWESLFLEFFXSKG-HXOBKFHXSA-N 440.569 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](CC#N)C2)C1 1645301322 UMTJXYLGAUXQDM-AOMKIAJQSA-N 437.537 2.486 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)O1 1649588199 DFIKHZDBYISXJU-YCRNBWNJSA-N 438.532 2.116 30 10 IEEE Cc1cc(N2CCN(C(=O)CN(C)C[C@@H](O)c3cccc(C#N)c3)CC2)nc(C(C)C)n1 1654148907 ONNJCPPEKKYXEB-OAQYLSRUSA-N 436.560 2.094 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1C 1655127474 OSBKJHDSCWQICQ-UHFFFAOYSA-N 432.571 2.317 30 10 IEEE C=C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1658481040 YLNDMMPUDYQICB-NRFANRHFSA-N 431.602 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)Nc3cccc(C#N)n3)C2)C(=O)C1 1673090382 FFJZWCFBEWAZPY-INIZCTEOSA-N 428.493 2.029 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 1674436516 FVLCNGZGMVWHPA-UHFFFAOYSA-N 425.526 2.047 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)NCC3(C#N)CCOCC3)CC2)cc1 1677543560 CKKGGZPXRCLEBI-UHFFFAOYSA-N 434.562 2.069 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 1681824535 FJSNUKSSYASOTJ-IBGZPJMESA-N 429.521 2.026 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(NC(=O)N(C)C)cc1 1689943817 DPDQDUXYNOZAES-UHFFFAOYSA-N 425.537 2.408 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689988980 ZTHRBMBVUWDDTG-MAUKXSAKSA-N 432.521 2.389 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1689989951 KDAAXYBWATVKQR-FGTMMUONSA-N 438.619 2.085 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1690104700 GAZKQFXSNZCVJS-GOSISDBHSA-N 436.482 2.234 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1690110566 QVLWTVCBXZLNFR-HYBUGGRVSA-N 442.608 2.157 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([S@](C)=O)CCC2)CC1 1690133364 DTJPBRWXPGNUFD-HKBQPEDESA-N 445.564 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1690246752 WUWUQDLSDUIQTK-DCXXXQMHSA-N 433.578 2.291 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1)C1CC1 1690536657 CPNLEUTZEIMKBW-VBKZILBWSA-N 437.541 2.090 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690676420 ZISONWRENAMXKY-UXHICEINSA-N 438.576 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690726748 KHKPVIBHTINJPW-MSOLQXFVSA-N 436.603 2.394 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCCn1cnnn1 1690996131 VOXYQHNHTKSMLM-ZDUSSCGKSA-N 430.314 2.380 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1692449561 KUNRVQWURVKDOM-RWNPKEDZSA-N 428.537 2.323 30 10 IEEE CCOCCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1696394369 CVXCBPQYGVKTMU-MRXNPFEDSA-N 444.561 2.205 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1697123459 AQPYMUSSNCCMPS-JLHGSKIFSA-N 427.505 2.148 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705527004 PGWMTWGCCWAGQN-WOJBJXKFSA-N 444.557 2.146 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1705613559 JRDRGHBIPCRYNZ-GOSISDBHSA-N 447.580 2.394 30 10 IEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705653347 FSHQVUBEIUNWGY-RBUKOAKNSA-N 427.574 2.138 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705677748 ADPFDVOLSVHILT-NPPFBWRTSA-N 429.544 2.153 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1705747933 YDEFKCAFIOHAEC-LLVKDONJSA-N 431.349 2.252 30 10 IEEE CC/C=C/Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1709380472 JTCPTEKCWIQTSN-AATRIKPKSA-N 438.536 2.446 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1711089262 CMKIRKXSIXHHEF-VZCXRCSSSA-N 448.462 2.037 30 10 IEEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCC1 1712751629 YRHHYABCPKXBFT-UHFFFAOYSA-N 441.561 2.237 30 10 IEEE N#CCC1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1712885205 COBHJTLRFDPOQA-GOSISDBHSA-N 446.506 2.221 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC12CCOCC2 1722346810 XJDUZTZNIIUSEL-GOSISDBHSA-N 443.573 2.082 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722364438 ZVXBFNNPOKYPHG-INIZCTEOSA-N 442.570 2.088 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1722408053 XXKKLZCXEOBQLC-SFHVURJKSA-N 427.549 2.390 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722416860 QKRUNEWJIJZUGE-KKSFZXQISA-N 429.546 2.067 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722432809 FOZDIBUTDUMKMM-GOSISDBHSA-N 426.952 2.268 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCS(=O)(=O)C(C)(C)C 1722467725 CCOLIASRDXVBSM-OXQOHEQNSA-N 426.583 2.208 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2Cc2ccccc2)nnc1[C@@]1(OCC)CCOC1 1722704916 ZPJYSIGCIJEUFS-HYBUGGRVSA-N 439.560 2.444 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722729549 OIVKEQKSUYVIKG-RTBURBONSA-N 431.562 2.013 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)N2CCOCC2)CCOC1 1723675337 BLVJIJACYVKNCC-XXBNENTESA-N 446.596 2.169 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1Cl 1723911500 HDYAWKMVVUJFOM-NWDGAFQWSA-N 428.921 2.467 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCC[C@@H](C)C1 1729070550 QJGOYOOSUQTULX-LJQANCHMSA-N 438.580 2.140 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1ccccc1F 1740531681 QKLXCNVZZHJATO-OAHLLOKOSA-N 428.512 2.224 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1c[nH]nc1C 1740609951 WIDYISFXOQWAGM-UHFFFAOYSA-N 430.516 2.409 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740617800 XPUFCXQTBGSJBG-FQEVSTJZSA-N 443.573 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCCCC1 1740650442 ABNNKKNVZKPGKW-UHFFFAOYSA-N 444.543 2.469 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cccc(OC)c1 1740655169 ACZGDGYGUAVSDA-HXUWFJFHSA-N 435.528 2.074 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CC=CCO2)n1 1740688802 JYKPUWLOEDWQRS-OAQYLSRUSA-N 433.516 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC=C(C)C)CC1 1740695111 FDWDVAUGSKYWST-UHFFFAOYSA-N 431.544 2.304 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1740710918 DQBAHLSUSDNYQB-MRXNPFEDSA-N 446.602 2.158 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)C1 1740979322 CXCPJNHNPNVUPB-JEVOJNTISA-N 438.594 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740992011 KZEPJKDFUZYRDV-MOPGFXCFSA-N 438.594 2.168 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1743420399 PMNVWWPKARWURL-QZTJIDSGSA-N 444.511 2.208 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)C1CCCC1 1745996893 DLUQHPXBZSQFSN-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(CCCCC2)O1 1748845874 BLPGAKDKPNVGDQ-OALUTQOASA-N 430.574 2.135 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(C)c1 1748864419 WQOGUVXXYTUJEH-RTBURBONSA-N 443.573 2.127 30 10 IEEE COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1748894002 BXOCLVGUUYEWST-NHCUHLMSSA-N 433.516 2.380 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1F 1750346333 VHANAHJOCIFQRS-JLSDUUJJSA-N 426.496 2.438 30 10 IEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCOC1=O 1750648505 DELYIVRMBJQLJN-UHFFFAOYSA-N 437.548 2.438 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1751016318 AGFRGNXJDLVIEV-AUSIDOKSSA-N 446.596 2.169 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760138412 XYBFWVKMIYEBLG-ROUUACIJSA-N 427.553 2.414 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@H]1C 1760176767 STDDWWIZTWWWFM-JOCHJYFZSA-N 435.620 2.197 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760183968 SDUUIWAXFBTZAE-QGZVFWFLSA-N 426.498 2.222 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1760440405 JDNVFIQHLFSRLV-GOSISDBHSA-N 437.610 2.279 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1)C1CC1 1760469649 DWZPAZNUOINRLQ-UHFFFAOYSA-N 431.500 2.488 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1760505204 OACZPGUZGCZACD-MRXNPFEDSA-N 431.928 2.360 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1760531071 BSCVSKGCVNLPHC-UHFFFAOYSA-N 434.562 2.441 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)C1 1760541612 FHNMTVPECMGGAS-SJORKVTESA-N 426.583 2.167 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1761359936 CMDICFCIBLNOQG-MRXNPFEDSA-N 436.495 2.497 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2noc(CC)n2)CCOC1 1767448442 BLJZMNHQNWOCLS-RTWAWAEBSA-N 429.525 2.248 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC[C@@H](F)C1 1767930728 FXLVFARSCMSQPQ-IAGOWNOFSA-N 430.532 2.193 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSCCCO)CCO1 1770748048 WAQWVYKVFNSUBC-KRWDZBQOSA-N 439.545 2.180 30 10 IEEE CS(=O)(=O)CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1771351040 BGPDOOCGFKTLRF-UHFFFAOYSA-N 449.602 2.497 30 10 IEEE COc1cccc(-n2nnc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)c2C)c1 1851497288 MMULJBKPVKBTFL-UHFFFAOYSA-N 445.423 2.459 30 10 IEEE C=CCN1C[C@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccc(OC)cc3)cnn2C)CC1=O 1852761813 BMVAUYWBQFMVBI-QGZVFWFLSA-N 449.515 2.017 30 10 IEEE CCOc1ccccc1N1CCN(C(=O)CNC(=O)c2nc(C3CC3)ccc2C#N)CC1 1852901258 ISZQDBRSLSLSJK-UHFFFAOYSA-N 433.512 2.308 30 10 IEEE Cn1ccnc(N2CCC[C@@H](N(Cc3c[nH]nc3-c3ccc(F)cc3)C(=O)CC#N)C2)c1=O 1853489263 XMQMSQGXFVXRHM-LJQANCHMSA-N 449.490 2.221 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862755624 FLQDICZCFRHPRF-SGTLLEGYSA-N 440.408 2.341 30 10 IEEE C=CCN(CC=C)c1cc(N2CCN(C(=O)CCN3CCOCC3)CC2)nc(C(C)C)n1 1869095940 HUWQRIINTLNFPR-UHFFFAOYSA-N 442.608 2.149 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CSc2ccccn2)cc1=O 1870300514 IYBWLCJTIZAMTQ-UHFFFAOYSA-N 441.534 2.243 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc(C)ccc2O)cc1OC 1874238045 ONJJMONSXBRYAD-FOKLQQMPSA-N 441.513 2.360 30 10 IEEE CCCOC(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874505626 QIZJJOSRMKYPNM-KEBDBYFISA-N 438.506 2.378 30 10 IEEE COC(=O)C1(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 1913942727 BQWUMVWYJJKPJS-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE C=CCN(CC(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)C(=O)OC(C)(C)C 1985006589 FVWFTPWSVORCSO-HRCADAONSA-N 427.542 2.190 30 10 IEEE C=CCN(CC(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985006590 FVWFTPWSVORCSO-JYJNAYRXSA-N 427.542 2.190 30 10 IEEE CC(C)(C[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)NC(=O)OC(C)(C)C 1990494748 MJMLOPSXZBGLET-HOTGVXAUSA-N 425.574 2.452 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622931 GAQQARDIAXOERT-LBPRGKRZSA-N 442.272 2.263 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2073247419 FJZBBGLFIPDDTC-MIRVZWSXSA-N 432.326 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(N)cccc2Br)[C@@H](C#N)C1 2106656127 URVRGNQPYRODAB-NSHDSACASA-N 445.339 2.165 30 10 IEEE C=C(Br)CS(=O)(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)C(F)(F)F 2118087287 LZXKSEGEDZHUQW-CYBMUJFWSA-N 441.269 2.330 30 10 IEEE N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1 2174787547 VJIJIAHWFNICAY-OALUTQOASA-N 433.461 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@](C)(CO)C1 2224079522 JGFKFNOUGCPPPB-QFIPXVFZSA-N 433.358 2.189 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237393576 JWHXIILAUPOJKF-JXFKEZNVSA-N 437.334 2.482 30 10 IEEE C=C(CS(=O)(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435082 KHOWQVMVJPEBCG-UHFFFAOYSA-N 434.339 2.052 30 10 IEEE CON(CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243667084 DMVSMYDTCJJASY-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2255628189 DYIWVJYFUKNVLQ-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255629446 VTGKRNZGDYILMZ-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255706092 DPJSIZRNFAENEN-PHZGNYQRSA-N 432.326 2.422 30 10 IEEE CC[C@@H](CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255832352 KUUAPPRFUKSKMY-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCCNC(=O)OC(C)(C)C 2255837573 RHTMIBCGWRBAGP-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)OCC12CC2 2258959156 NDAFCJKWECGCIV-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267137122 KTWQKAAQIRDJRD-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267173781 PGRJVQZODHEPHL-JKSUJKDBSA-N 446.357 2.294 30 10 IEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267274124 VVNMCIHIOINEEC-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267517170 OJXFFYNFWZEPAO-GJZGRUSLSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268631897 DOURVAIIXPQLDR-RHSMWYFYSA-N 447.341 2.249 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268647301 YHOSZVBNGOHONU-HZPDHXFCSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268663498 LUEVNFFDKQFKMZ-UHFFFAOYSA-N 446.353 2.369 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2271952901 UICHLUBZWAFHJN-GDBMZVCRSA-N 448.373 2.235 30 10 IEEE C=CCC1(CO)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2287705014 CVZAZEURWNHGOP-UHFFFAOYSA-N 434.558 2.433 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(C)(C)C 2315295634 OOSZDPBELYXFPO-CQSZACIVSA-N 436.362 2.378 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(O)cc2O)CC1=O 2327895125 ADFATWGBXNFTPA-AWEZNQCLSA-N 433.534 2.160 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1C 2337270044 HAROJZRCWHCZGL-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N2CC[C@H]1C2 2342884313 POKJUXKAQITMHX-ZWKOTPCHSA-N 444.385 2.486 30 10 IEEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 22055557 JWPZLQJLMNKVAZ-JNQJZLCISA-N 432.488 2.195 30 10 IEEE in-vitro COc1ccc(C(=O)/N=C(/NCCN2CCOCC2)Nc2ccc(F)cc2)cc1OC 46134848 GPCAOOOJCZXYNJ-UHFFFAOYSA-N 430.480 2.373 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)cc2Br)CC1 301892553 VVAHEDVDLZUMBP-UHFFFAOYSA-N 425.308 2.437 30 10 IEEE N#Cc1cc(Cn2cnc(I)c2I)ccn1 304282893 FQQRTPURFFMHEK-UHFFFAOYSA-N 435.994 2.407 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCSC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 312149646 OQIVWPHWJCFCFS-SFHVURJKSA-N 448.522 2.445 30 10 IEEE C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCN1CCO 427438047 BUWPPBONWAJQME-OXJNMPFZSA-N 440.931 2.459 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 461730293 RZPDFSXTMZGSAH-FHWLQOOXSA-N 428.500 3.014 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccoc2)n1C[C@@H]1CCCCO1 461830204 KIZIRIMLWSKBHS-WMZOPIPTSA-N 434.504 2.484 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)cc2C1=O 464520837 GOYNBHSQZXTFAJ-SLYNCCJLSA-N 429.476 2.355 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCCOc1ccc(C#N)cc1 465508088 IQJDQIZISLTSJO-UHFFFAOYSA-N 430.530 2.264 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1C(=O)N1CCOCC1 489246466 CQMVBMSKKNXUGZ-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE CN1CCC(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)(N2CCCCC2)CC1 489373191 RIQMMEFRLAQRRB-HXUWFJFHSA-N 426.565 2.066 30 10 IEEE N#CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 489433994 UATIKXJISOIITN-INIZCTEOSA-N 426.336 2.364 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 508809540 MAVJZDTWRCYZKV-SFHVURJKSA-N 441.923 2.149 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 508881711 SKWSJBWKBKEZQG-LJQANCHMSA-N 431.562 2.391 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 508917042 AXFSDTGNDHWEAJ-IEBWSBKVSA-N 449.552 2.005 30 10 IEEE Cc1c(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cccc1S(N)(=O)=O 513820626 TUZCFLINNLWSEV-UHFFFAOYSA-N 435.509 2.025 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc3nnc(CC)s3)cc2C1=O 515318950 OBJVVJFXLOFYPG-NWDGAFQWSA-N 441.513 2.276 30 10 IEEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522635999 HFBLDBZJZKBRKW-SFHVURJKSA-N 440.887 2.471 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(CCc3ccco3)n2C[C@H]2CCCO2)CC1 563291104 ZXAMRWMVBHBOJF-HXUWFJFHSA-N 433.516 2.429 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)n(-c2ccc(F)cc2)c1C 563698407 WNTTVRAPOFBDOT-GOSISDBHSA-N 436.495 2.422 30 10 IEEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 566592331 NFXJRMBZDVBWBV-UYAOXDASSA-N 432.933 2.052 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N(CCO)Cc1cc(Br)cs1 581516955 FIHMDUBXFQMIGM-AWEZNQCLSA-N 429.340 2.375 30 10 IEEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 585226888 FFYPBLXXIPWBTE-UHFFFAOYSA-N 432.406 2.338 30 10 IEEE COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587646975 DZQKYNUPOGNORN-OAQYLSRUSA-N 447.539 2.281 30 10 IEEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](CCCC#N)c1ccccc1 590476049 FKUUEOFTYYECQN-IBGZPJMESA-N 430.530 2.211 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(-n2cncn2)cc1 611433166 OEFQEVXUNPBWNG-JPYJTQIMSA-N 447.518 2.466 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](Cc4ccncc4)C3)CC2)cc1 611803180 MOBKXMFUDLTTSB-HXUWFJFHSA-N 438.553 2.445 30 10 IEEE N#Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1Br 703967274 WTFSLEUSFWLLPG-UHFFFAOYSA-N 434.271 2.359 30 10 IEEE C=CCNC(=O)COC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730303385 BPLUOZJJTROBGF-OAHLLOKOSA-N 426.922 2.244 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CCN1C1CC1 732706418 JFXQVRXPRDJYAC-OAQYLSRUSA-N 432.480 2.181 30 10 IEEE C#CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 733287318 BURAIADFYQOWNT-UHFFFAOYSA-N 440.930 2.297 30 10 IEEE CSc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)cc1 734293394 ULXACJBOTDSFHJ-HNNXBMFYSA-N 429.523 2.447 30 10 IEEE CCCCN(C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@H]1CCS(=O)(=O)C1 742594031 IEUIFNLNUNTLDL-INIZCTEOSA-N 447.513 2.223 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 747376610 ZOIGDNMBQIHXIV-VVDBFAKWSA-N 438.575 2.140 30 10 IEEE C=CCN(C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1nc(C(=O)OCC)cs1 749128425 PESIHBSLYBKXID-MRXNPFEDSA-N 445.476 2.098 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(C[C@@H]3CCCO3)c2=O)s1 752195694 ZYFSKJNNKAMYJJ-KBPBESRZSA-N 431.583 2.226 30 10 IEEE Cc1nccn1-c1ccc([C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 754876536 DPQKUSBAZICLFN-OAHLLOKOSA-N 437.525 2.487 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCc3ccnc(O)c3C2)c1 755225466 WBOSKTRJZBZTPK-NKFKGCMQSA-N 429.502 2.190 30 10 IEEE COC[C@@](C)(CCO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 758228478 ZYYGGEIXHOKUGS-SEDGDDRASA-N 440.566 2.189 30 10 IEEE CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 762616671 RQEOYLWZRLRQET-UHFFFAOYSA-N 434.543 2.210 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccc3)c2=O)cn1 772274734 GOABITWYEOUVBS-UHFFFAOYSA-N 430.533 2.322 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(-c3ccccc3C#N)c2=O)cn1 772303669 PVNRMQMDTKXNGJ-UHFFFAOYSA-N 429.505 2.186 30 10 IEEE CC[C@@H]1C[C@H](C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1 779755201 XOMZHICRIKJXCM-HUUCEWRRSA-N 426.495 2.219 30 10 IEEE N#C[C@@H](C(=O)CCC(=O)N1CCc2sccc2C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787057525 FUWWWNZGWXBTHQ-KRWDZBQOSA-N 440.481 2.346 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 794319862 ZOJXMZJTLKYFFW-HTAPYJJXSA-N 449.573 2.080 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 800781913 DDRGLHAHHYPYQY-LJQANCHMSA-N 426.521 2.195 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@](CO)(c2ccccc2)C1 801473495 AUJIULYRWBRMKD-HSZRJFAPSA-N 441.553 2.058 30 10 IEEE Cc1nnc(NC(=O)CSc2nnc(NN=Cc3cccc4ccccc34)n2N)s1 1084049175 SREGEWBYVGRJMW-UHFFFAOYSA-N 439.530 2.482 30 10 IEEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3ccccc3)n2N)cc1 1084559374 XKSPPZNVVURWJC-UHFFFAOYSA-N 425.518 2.245 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1124734820 IYPPVBVSMVJWRE-BFERYNQYSA-N 445.497 2.039 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CCOCC3)C3CC3)CC2)cc1 1130457814 BVPBUTSEJXVBDU-OAQYLSRUSA-N 431.558 2.280 30 10 IEEE COc1ccc(C(=O)Nc2ccc(C#N)cc2I)cc1-n1cnnn1 1133744207 FJNAISAVEQXBRG-UHFFFAOYSA-N 446.208 2.399 30 10 IEEE CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1136199789 JPYMENYSNZYLMD-UGSOOPFHSA-N 430.484 2.285 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)s1 1141361805 AQHHOPFXPVLHME-CALCHBBNSA-N 431.583 2.350 30 10 IEEE N#C[C@@]1(C(=O)NC[C@H](O)COc2ccc(I)cc2)C[C@H]2CC[C@H]1C2 1150174556 BKMFWQIVWAXLSE-ATZCPQFDSA-N 440.281 2.477 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C(=O)OC 1161357102 KOEFUNTWZUQZSX-IBGZPJMESA-N 430.482 2.099 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(CCO)CN(C(=O)OC(C)(C)C)C3)n[nH]2)c1C 1162107585 KGDHMZJDGLQTSJ-UHFFFAOYSA-N 444.536 2.178 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 1162867034 LEPISAFLSZUETL-HNNXBMFYSA-N 428.514 2.172 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 1163759175 CMECOQVLQNGEKS-UHFFFAOYSA-N 444.492 2.261 30 10 IEEE O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272181 DJXOWUZFVBEMBV-UHFFFAOYSA-N 442.859 2.387 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)cc1 1198252222 VODRHIYSXXDVGE-JOCHJYFZSA-N 442.541 2.154 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 1219084216 HRCYRBFYDGQRIL-CQSZACIVSA-N 440.294 2.299 30 10 IEEE COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cc1 1248376276 VNIYKOLZTWBPON-OFNKIYASSA-N 447.539 2.493 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1272601109 FUTJWVSLXVUIQC-CLROSIBMSA-N 428.938 2.211 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286387811 IMCHTXMOTXGAAY-WOJBJXKFSA-N 441.557 2.259 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286390191 YKHPCUXYSUPSMN-LJQANCHMSA-N 438.557 2.236 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCc1ccnc(C(C)(C)C)n1 1286397498 AGJAGYZAWNPKAA-UHFFFAOYSA-N 433.560 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1286414595 ZWVMGKGWCDTFMH-UHFFFAOYSA-N 431.587 2.357 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cc(C)nn2C)CC1 1286472260 RLILJNGIUQJQPN-SFHVURJKSA-N 437.523 2.403 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(COCC)cc2)CC1 1286484287 HQAVDBQHFSGDCO-UHFFFAOYSA-N 447.587 2.480 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2([S@](C)=O)CC2)CC1 1286484616 TUCJXTRSAMVTEE-HKBQPEDESA-N 441.601 2.086 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286508764 VRGVTTPALBKRKL-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cncn2)C1 1286542072 HBBZXHJNJDVDJU-INIZCTEOSA-N 446.357 2.481 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(CC)nn(C)c2OC)C1 1286813160 XHRUAAFWVNZISN-GOSISDBHSA-N 437.548 2.398 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1288517579 DOTXWMIPAWXMKZ-QRVBRYPASA-N 431.585 2.201 30 10 IEEE CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 1294301205 AHRLOARLEQWKFF-YOEHRIQHSA-N 431.518 2.485 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1c(OC)cc(OC)cc1OC 1300268951 XETDNXNMUWSPGE-HNNXBMFYSA-N 429.521 2.143 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1300307391 FTPOGFRODPGBEF-AEFFLSMTSA-N 446.573 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)OC 1300559727 YVNYJJNOLLQLBT-INIZCTEOSA-N 428.562 2.044 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC(=O)N(C)Cc1ccccc1 1300665329 ZMKRGWZHRFDEPG-UHFFFAOYSA-N 432.528 2.393 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nccc(C(F)F)n1 1300675702 VHQWDIKBZMDMKX-UHFFFAOYSA-N 430.463 2.002 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300875939 QREHRLOIWCTBPM-YJMBLLCNSA-N 444.624 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1301485049 QFNULQPDIXQQOM-UHFFFAOYSA-N 448.556 2.211 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@@H](C)C1 1301806557 KUXJAXDNTXCVFI-QGZVFWFLSA-N 443.552 2.104 30 10 IEEE COCCOCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302211410 IHEFAJCAFTZDTM-GOSISDBHSA-N 428.512 2.314 30 10 IEEE COCCCn1c(S)nc2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)ccc2c1=O 1304201011 SMUVMKCFJREJSJ-UHFFFAOYSA-N 443.525 2.200 30 10 IEEE C#CCCCS(=O)(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1309728959 WXQAVALMCXIHQW-UHFFFAOYSA-N 433.534 2.125 30 10 IEEE C=CCN(C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F)[C@@H]1CCS(=O)(=O)C1 1310752608 HJIFEHZYXVLTFS-CQSZACIVSA-N 433.527 2.184 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1314348321 GPWJVPZZHQQRPE-SBUREZEXSA-N 441.532 2.274 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1COCCO1 1315662993 FBZKHCLEGPGKQU-MGPUTAFESA-N 433.509 2.436 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315827864 SRWCUFHADDRGRB-QXCFHYIPSA-N 434.560 2.358 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)ccc1F 1319478276 KDIJGBFZCLUHFD-INIZCTEOSA-N 442.512 2.109 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1358889694 FOTRKCDMKLADOV-IRXDYDNUSA-N 426.546 2.078 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CC(F)(F)F)CC1 1358946925 MYRZMEHGEOYIOI-UHFFFAOYSA-N 438.454 2.350 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C(C)(C)C 1358971082 HUPXWPBBUXRRLB-UHFFFAOYSA-N 431.338 2.271 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1CCS(=O)(=O)CC1 1358989172 RZJOMCOVOYNEEA-UHFFFAOYSA-N 431.949 2.281 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[S@](=O)CC)CC1 1359029870 JHUSAACXLMCBBG-SSEXGKCCSA-N 425.602 2.272 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359227537 DKYRLJNKVVSXMY-QFBILLFUSA-N 427.505 2.050 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359228631 IVWSOFPEQKLPRM-HSZRJFAPSA-N 425.533 2.329 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359256983 WJNBSFZAWIEQIH-LJQANCHMSA-N 428.562 2.186 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359473836 JDPUUWFEOKKCJK-OWCLPIDISA-N 430.475 2.031 30 10 IEEE C#CCN(C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)[C@@H]1CCCc2ccccc21 1439629788 YWNZYAXHHFZFPE-HXUWFJFHSA-N 430.508 2.348 30 10 IEEE COc1cc(CN(C)C)ccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1451085133 BXICCBUDRIDQKK-AWEZNQCLSA-N 430.530 2.213 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(Cc3cccc(C(N)=O)c3)C3CC3)C2=O)cc1 1460163230 DFARENNPZNTICQ-HXUWFJFHSA-N 445.479 2.053 30 10 IEEE CCOC(=O)[C@]1(C)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 1460664064 OBTFDMGDCXVCJG-QFIPXVFZSA-N 428.489 2.210 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC3(C(=O)OC(C)(C)C)CCOCC3)cc2C1=O 1461139266 WKEDGWQZMAXZPW-UHFFFAOYSA-N 428.485 2.337 30 10 IEEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@](C)(C(F)F)O1 1470274886 IMXYBMWIQDGPAD-VLIAUNLRSA-N 441.500 2.230 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccc(Br)cc1 1478895515 CXHDAOPGDBVUNC-BBRMVZONSA-N 428.352 2.094 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc2c(c1)CCO2 1479435865 ARUCVKMRAAIYBF-MRXNPFEDSA-N 440.525 2.270 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccco1 1495774598 NUHSRYYHVPLBKQ-KRWDZBQOSA-N 448.531 2.408 30 10 IEEE CCC1(CC)CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1497690193 ZBKDFRBFVQUSFG-CZIZESTLSA-N 438.536 2.222 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C#N)o1 1503246748 RXTGYFLLVJVWAP-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1507516453 LEYOXWONWOFPDG-QWHCGFSZSA-N 425.942 2.057 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507582156 CUUBNATZBGITTE-KRWDZBQOSA-N 433.516 2.360 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507594792 JXAZZBJSERPCHM-LJQANCHMSA-N 431.562 2.097 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1507657706 XUJDXRJRNJIOQL-UHFFFAOYSA-N 439.527 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(SC)CCOCC2)CC1 1507739203 AVZKEUNLBHHPAH-UHFFFAOYSA-N 431.606 2.109 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507754311 BCUMUQNFTWFXBO-UHFFFAOYSA-N 449.584 2.016 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCNS(C)(=O)=O 1507769370 DACOTGUCCHGMOW-JOCHJYFZSA-N 445.589 2.405 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507925385 AOYYGKTWYHDHGB-IBGZPJMESA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1508099137 VCAKNKCKQOOIQP-GOSISDBHSA-N 426.521 2.124 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCn1cnc(C#N)n1)c1cccc(Br)c1 1520765523 RCYPOFUJZMISIM-OAHLLOKOSA-N 449.309 2.294 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)ccc21 1529164069 HVUSZHRPFNFRBM-CTNGQTDRSA-N 426.517 2.088 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NCCNC(=O)c3ccc(Br)cn3)CC2)c1 1538852663 CKADEZOWYWWTRI-UHFFFAOYSA-N 431.265 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1539258346 VPKWGHBGQCDVPW-GBESFXJTSA-N 447.543 2.311 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)OCCc2sccc21 1539391246 AAFUTXXEZAOJPU-QFIPXVFZSA-N 443.573 2.150 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)N(CC)CC)CC1 1539446003 NMTYDKAQJSRYGS-GOSISDBHSA-N 448.575 2.079 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccnc(SC)c2)CC1 1539476099 SGQYJNSANDLDTO-UHFFFAOYSA-N 447.568 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539620508 LUWBGLKJVYZCOA-QUCCMNQESA-N 427.553 2.391 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1539674200 NJCGWPIJTVKTKW-UHFFFAOYSA-N 430.516 2.461 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1539917932 YJIYNRNOFNJPIO-HNNXBMFYSA-N 447.552 2.449 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCN1CCCS1(=O)=O 1540185945 XNUGFNMAKSDDDG-UHFFFAOYSA-N 444.561 2.147 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1540902633 NIWPUIHTPWHNCW-RBUKOAKNSA-N 438.594 2.373 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C(N)=O)cc2)CCOC1 1541714433 UVSLTYZTOLMIQM-OPAMFIHVSA-N 426.521 2.204 30 10 IEEE CCCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547257971 VIDJLFFSXXJTEA-UHFFFAOYSA-N 445.527 2.239 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H](C)C2)CCOC1 1547919718 QQZCMOPBAHAWMD-SXWKCWPCSA-N 446.596 2.171 30 10 IEEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1557886706 VGGPYNXTIXGNTG-LJQANCHMSA-N 427.482 2.104 30 10 IEEE C=CCC1(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCCCC1 1563446823 VHTXUAIXUFPVLD-UHFFFAOYSA-N 435.594 2.112 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)c1 1565246826 JWSYDEMXFZLCHY-AVRDEDQJSA-N 434.496 2.490 30 10 IEEE Cc1cc(C(=O)NC[C@H](O)COc2ccc(I)cc2)ncc1C#N 1566338403 MKFVIJYZWPJLIM-AWEZNQCLSA-N 437.237 2.036 30 10 IEEE CC(=O)SCCCCCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1567854493 AHTNQCMMKLADQN-CQSZACIVSA-N 425.576 2.460 30 10 IEEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 1584356536 MYVLUSNLBFAYQR-UHFFFAOYSA-N 426.498 2.035 30 10 IEEE N#C[C@H](NC(=O)COc1nsnc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 1585303441 VPGOKRWQTXUSNM-ZDUSSCGKSA-N 428.301 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)c1cc[nH]n1 1587593546 MBRZMRVBOXETRN-ZDUSSCGKSA-N 427.896 2.218 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1588050157 PFRXTLDNUUZUTO-GOSISDBHSA-N 439.541 2.347 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1588229289 SOLJQLVLRHANSU-QGZVFWFLSA-N 446.960 2.353 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1588237986 INTJVJMDEQNSGK-UHFFFAOYSA-N 440.569 2.308 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCSC1 1588628380 HOOZMCUJIOAWJZ-INIZCTEOSA-N 438.557 2.031 30 10 IEEE C#CCSCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C 1589124678 AVHJDFHMXOVSKY-UHFFFAOYSA-N 426.590 2.368 30 10 IEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1594744367 OGHCSCYGPCDJKP-UHFFFAOYSA-N 433.578 2.315 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1595275758 NOOSDOMYAJJAEP-QHCPKHFHSA-N 437.548 2.041 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1595593801 IXWMJIZIWPPWBE-CQSZACIVSA-N 441.458 2.174 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1596244116 LNQAILSPGJWTCH-JKSUJKDBSA-N 435.525 2.478 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCN1CC=CCC1 1612883046 HAJLLKHGQWJROE-SFHVURJKSA-N 435.580 2.214 30 10 IEEE CCN(CC1CC1)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1615534600 SODJJBJNJJEJRY-FMQUCBEESA-N 441.561 2.397 30 10 IEEE C[C@@H]1CCC[C@@H](CCN(C)C)N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1618271603 QCSZMYGEPOUQEP-KPFFTGBYSA-N 425.533 2.485 30 10 IEEE CO[C@@H](Cc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1618952263 FJUHCQJYYKKIHF-AVRDEDQJSA-N 426.496 2.214 30 10 IEEE Cn1cc(C(=O)NCc2ccc(OCC#N)cc2)c(CN2C(=O)c3ccccc3C2=O)n1 1626725515 BLALQRZJABRPDJ-UHFFFAOYSA-N 429.436 2.049 30 10 IEEE CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136240 CLKTUYKBWPTKAZ-HRAATJIYSA-N 433.530 2.363 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1627905637 LEGWTRFLURDILX-JKSUJKDBSA-N 429.945 2.262 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 1628666893 LLRDIBRPXICIHI-NRFANRHFSA-N 427.526 2.223 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1631045042 FMVPNXNWXOLBDT-UHFFFAOYSA-N 446.451 2.097 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1632927018 URVCGMFZSQCTND-OAHLLOKOSA-N 447.377 2.455 30 10 IEEE C#CCN1CCCN(C(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1634016332 VCWLKAURYAMTAL-HXUWFJFHSA-N 445.361 2.145 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 1636145641 WIYNJDAVYMJYHG-OAHLLOKOSA-N 447.504 2.429 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1636700180 PLNXLJQLUZXNPU-JKSUJKDBSA-N 432.546 2.034 30 10 IEEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1638528559 HURBXEQCZBDYSQ-HZPDHXFCSA-N 435.406 2.493 30 10 IEEE Cc1cc(C)n(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n1 1639782907 QKIJWKUMFMEILK-AOOOYVTPSA-N 433.299 2.490 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2F)c2nccn2C)cc1 1640215669 PFKJPDOKIXZAFB-LJQANCHMSA-N 444.463 2.129 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1643499117 MVIGGNMRVBVLOP-HXUWFJFHSA-N 446.554 2.195 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4csc(C#N)c4)C3)[C@@H]2C1 1644239566 DIJIOPFQZVRDRP-BMFZPTHFSA-N 432.502 2.274 30 10 IEEE C[C@H]1Oc2ccc(C(=O)C3CCN(C[C@H](O)CC4(C#N)CCOCC4)CC3)cc2NC1=O 1644837620 NGFUSGSTCXMPKY-VQIMIIECSA-N 441.528 2.372 30 10 IEEE COC(=O)[C@H]1CN(CCOc2ccc(C#N)cc2OC)CC12CN(C(=O)OC(C)(C)C)C2 1648438041 WFDZUSSUPOQKHF-QGZVFWFLSA-N 445.516 2.288 30 10 IEEE C=C(C)C[C@H](NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1648791296 NQERUGZITXJSAK-HNNXBMFYSA-N 436.452 2.388 30 10 IEEE CCOC(=O)c1nc(N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1Br 1650973342 RPWDCABAMMCUCA-UHFFFAOYSA-N 433.310 2.261 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)CCO2)cc1 1652919148 GFWDIGQDZCHINY-IIMAJNMQSA-N 426.494 2.427 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cncc(C(=O)OC)c1 1661407881 CDFKOQBSIVXPJH-LJQANCHMSA-N 432.498 2.219 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)c1ccc(Br)cc1 1663553134 FYEHEKXJLOURBA-INIZCTEOSA-N 443.344 2.010 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](CO)[C@@H](C)c2ccccc2)c(C#N)cn1CCOC 1668605566 HHPXPMPWIOXHTF-MAUKXSAKSA-N 428.489 2.469 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 1683230475 UCVAGLUXVHLUBM-QZTJIDSGSA-N 433.553 2.368 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN(C)C(C)C 1689861362 UFCKIISYLPUSIN-JOCHJYFZSA-N 437.636 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn2ccsc2n1 1689861639 YIYQBWXHARTCLR-ZDUSSCGKSA-N 425.543 2.485 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1689966337 PHYLSNSIOPJBAH-HUUCEWRRSA-N 441.479 2.080 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689979430 AYIHABJZDWCMFZ-HNNXBMFYSA-N 438.500 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(C)C)CC1 1690135198 RDGVHRZJHBKQJS-MOPGFXCFSA-N 445.612 2.055 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C)C1CC1 1690537929 XTPSKPCDKUKFQB-IRXDYDNUSA-N 444.605 2.494 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1690667802 IOQVJNAQBIACRP-ROUUACIJSA-N 441.580 2.107 30 10 IEEE CC(C)OCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1692617944 ZIIDINUYMAALIL-REWPJTCUSA-N 446.596 2.310 30 10 IEEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1692636457 GDKUQOHHLOPZBU-UHFFFAOYSA-N 436.520 2.299 30 10 IEEE Cc1noc(C)c1[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1693521271 GDQBVUVTNSWAGN-OCCSQVGLSA-N 435.554 2.037 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1694247460 APKQIQVISUMKAC-HOTGVXAUSA-N 436.438 2.227 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1696809232 QTZYEQHELQOWPG-UHFFFAOYSA-N 431.440 2.162 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705522773 FTVYWBCEBGKHPM-UHFFFAOYSA-N 442.568 2.014 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 1705527456 YPKRZBPNMBPTPB-SFHVURJKSA-N 439.545 2.195 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1ccccc1 1705533259 WPDAQKYBOXPOSE-UYAOXDASSA-N 445.589 2.264 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1705541901 URUWOFDORZEBPM-DOTOQJQBSA-N 431.562 2.086 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1705643349 CJHHTEPIEYUIDF-VQTJNVASSA-N 444.530 2.466 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2([S@](C)=O)CC2)CC1 1705645825 GHGRMJXMEGNRGT-HKBQPEDESA-N 439.585 2.130 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCCO 1705678761 OHFMCGYMFZNIBN-IEGUWTFLSA-N 447.580 2.440 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1705700893 ZWTFMEDXUMZXOQ-QYZOEREBSA-N 448.593 2.014 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNS(C)(=O)=O)CC1 1705781815 IMTNNMRQFBELAN-IBGZPJMESA-N 447.561 2.132 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705902071 FMSGBNQTHOUDQC-QGZVFWFLSA-N 430.940 2.396 30 10 IEEE CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1706366038 NOVQFDJVYWEVAF-LJQANCHMSA-N 449.563 2.190 30 10 IEEE CCN(CC)CCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1710067006 OXRSDHBXRUDWHZ-UHFFFAOYSA-N 441.580 2.469 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOC(C)(C)C 1710734747 NBPLLHLFMYQLAZ-MRXNPFEDSA-N 428.541 2.006 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@](C)(O)C(C)C)c1 1722308699 DLTOEDOSNSPFPR-MBSDFSHPSA-N 425.533 2.245 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722337564 DTQYGKBIANAFIU-UHFFFAOYSA-N 442.589 2.378 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722341116 SKXBRYFJHDIYSW-HXUWFJFHSA-N 443.573 2.444 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1CCC(O)CC1 1722425145 OKXRMTRAEOBUIX-UHFFFAOYSA-N 436.560 2.359 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCN(C)C(=O)OC(C)(C)C 1722425852 OMZQYKZTNYLAKC-UHFFFAOYSA-N 428.537 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS1 1722448164 NXBCHJAPULPXGP-INIZCTEOSA-N 438.557 2.174 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)OC)CC1 1722450812 RLQKQQUSVXFZBW-SFHVURJKSA-N 425.533 2.166 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1CC 1722672772 YMGJDDDVNHGAKG-UHFFFAOYSA-N 434.552 2.290 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1722688701 JFGKFHMMEQMKOH-KRWDZBQOSA-N 447.543 2.196 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722699315 GEJFMCLSRJFDEH-OAQYLSRUSA-N 449.559 2.274 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722734617 FNIIBVSXNJTOMF-HNNXBMFYSA-N 429.546 2.302 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1727229618 GKPTVYVAZHJTLY-GEQKSPFYSA-N 445.612 2.436 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1729235558 MUARBSDIPYHTFS-WWOZWPLTSA-N 431.562 2.217 30 10 IEEE CN(CC1CCOCC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1729486831 DNBURPBBRUPFKU-LSDHQDQOSA-N 436.516 2.334 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCSC2)c1 1730016247 HBJVVKNWNMZOEE-WOJBJXKFSA-N 433.509 2.272 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1C 1730788253 BZIZMVOKEXWDAL-APWZRJJASA-N 446.502 2.398 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccnc1 1730847570 XNTRSPMSQRUFDV-INIZCTEOSA-N 449.515 2.175 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2ccccc21 1740646188 RPYVGLFOTXTZQZ-UYAOXDASSA-N 439.585 2.471 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2OCC[C@H]2C)CC1 1740693454 YOHRVGOAPUZPOK-CRAIPNDOSA-N 447.381 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(C)COCCO2)C1 1740983491 JUSKWXVDJHYHQP-REWPJTCUSA-N 428.533 2.486 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1741129419 DFXMKJCUXAPZNW-MRXNPFEDSA-N 431.504 2.075 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1743890214 IFPRAWALEDGCJT-VQIMIIECSA-N 437.548 2.084 30 10 IEEE CC[C@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1743907746 UJXYGDXLFMUQFJ-LNLFQRSKSA-N 432.569 2.437 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1cccs1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748805905 YDINRNUKYSFRPQ-ROUUACIJSA-N 433.603 2.112 30 10 IEEE COc1ccc(OC)c(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1748853828 FWFDHNFXZDGXFT-VGOFRKELSA-N 442.495 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1748875011 HXDACRNBWIZXSG-IBGZPJMESA-N 448.571 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748889643 BVDNKSWBNVBYIB-PMACEKPBSA-N 448.575 2.483 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1748984133 MWHFFYKDUQMPQK-UHFFFAOYSA-N 429.590 2.222 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749043079 DTVLOWGFEKZFEB-GOSISDBHSA-N 448.614 2.062 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(C)c2)CC1 1749304085 UMXVYMNXEVTAQD-KRWDZBQOSA-N 437.591 2.186 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749363347 BAYOGDLFPOYQEV-JTSKRJEESA-N 427.553 2.317 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1749669021 BQWORNVCLKFTQJ-UHFFFAOYSA-N 427.528 2.489 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760351095 BZHCWRXUPRIWIF-VGOFRKELSA-N 435.569 2.173 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760386860 LQFMQHKFZUTEJW-IYBDPMFKSA-N 438.960 2.470 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)CC1 1760405589 YFOMQLXVXYOYLT-KRWDZBQOSA-N 431.562 2.478 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760567382 YOVOVRVECYSDNA-UHFFFAOYSA-N 440.552 2.439 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)(C)C)CC1 1761554308 MBPWKHJZSGDLQH-UHFFFAOYSA-N 441.536 2.298 30 10 IEEE C[C@@H]1C[C@@H](C)CN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1762725987 ZBGZBTMLKSUDFF-VAMGGRTRSA-N 443.596 2.001 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCOCC1 1763654623 IVGQFWGJMDKMHS-HZPDHXFCSA-N 425.537 2.047 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1766524104 CEFLGOPGUUIDSS-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1768139786 JNSPIFSBZRPZGA-QGZVFWFLSA-N 443.515 2.230 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1769067320 ABHZMICGYKQTCI-HXUWFJFHSA-N 438.532 2.403 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1769387402 HYUOHQPGTNXCNB-QZTJIDSGSA-N 436.516 2.121 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC(F)(F)Br)CCN1C1CC1 1770749487 ZGCMFNBZWAEJGK-LBPRGKRZSA-N 426.269 2.437 30 10 IEEE C=CCN1C[C@@H](C(=O)N(CCN2CCOCC2)c2nc3c(F)cccc3s2)CC1=O 1848975354 KSZXGGRKKPVAOQ-HNNXBMFYSA-N 432.521 2.135 30 10 IEEE Cc1cccc(CN2C(=O)N[C@]3(CCN(CCNC(=O)Nc4ccc(C#N)cc4)C3)C2=O)c1 1852258719 NPLXGMDUVLXALK-DEOSSOPVSA-N 446.511 2.185 30 10 IEEE Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1c(-c3ccccc3)cnc3c(C#N)cnn13)CC2 1852412049 RCSDALGRMQKHOZ-HNNXBMFYSA-N 425.452 2.105 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)C1CCN(CC(F)F)CC1 1853212800 CKLMVVLWXZBXOD-UHFFFAOYSA-N 447.939 2.310 30 10 IEEE C=CCN(Cc1ccc(-n2ccnc2)cc1)C(=O)c1cnc(N2CCOCC2)nc1COC 1853541181 NMWHGCKYQVAJQP-UHFFFAOYSA-N 448.527 2.474 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1854719129 AJFZYNPEHNHEMB-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(CCn3nccn3)C3(CCCC3)C2=O)c1 1856690145 NATBJCQMZIBDIZ-UHFFFAOYSA-N 426.908 2.295 30 10 IEEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1857224365 DPOZBGKQIJTOTI-ROUUACIJSA-N 430.574 2.252 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)N2CCCc3ccccc32)CC1 1857959241 ZCJWSIJZQRGFEW-UHFFFAOYSA-N 438.553 2.234 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1 1861578354 RLEQMMLAIRMSIN-MEJUDOHFSA-N 438.480 2.369 30 10 IEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)N3CC(Oc4ccc(C#N)cc4)C3)CC2=O)cc1 1869923879 RHAPKCRJDRRTOI-SFHVURJKSA-N 433.464 2.378 30 10 IEEE COc1cc(CCC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc(OC)c1OC 1891500461 GFPRMFMISBWHPD-INIZCTEOSA-N 426.473 2.377 30 10 IEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 1891899474 VPOCERMCVILLQZ-ROUUACIJSA-N 448.479 2.352 30 10 IEEE C[C@@H]1[C@H](n2cnc(I)c2I)CC[C@@]1(N)C#N 1984378908 CERGTJVIAVRCFL-BRDIYROLSA-N 442.042 2.284 30 10 IEEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(F)(F)F 2010507416 GOBJDKHJYBLQHT-XJKSGUPXSA-N 436.356 2.222 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622752 DHSAMKQIPLHDAY-CABCVRRESA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128729957 HCHYBGDGGZMFIR-ROUUACIJSA-N 446.353 2.142 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229114527 RPCHDWBDINUFRU-GOEBONIOSA-N 425.323 2.385 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243434981 ITZNPTWKVCQNJS-IFXJQAMLSA-N 428.360 2.103 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 2247555834 DTLMWGTYNNAQPU-JXORXQGFSA-N 437.537 2.045 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247834052 QCEGUMDHYGLSGX-AOMKIAJQSA-N 425.363 2.447 30 10 IEEE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248440020 DFGFAZLDEXWSOC-BXUZGUMPSA-N 443.350 2.310 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCO2)C1 2255601939 LIACFWHPWWCKRZ-JOCHJYFZSA-N 434.342 2.250 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255814585 ZZGMSGQCPGZJFB-HUUCEWRRSA-N 432.326 2.422 30 10 IEEE C[C@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2256062107 QKFIMBCDWHSYLF-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256638646 BYZCEERRDZKFIE-PVAVHDDUSA-N 436.358 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256677360 WMSKKIQVFKKEQQ-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267136729 LXZDOSZLXOELKU-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267548885 ITLJZGBNXGLKGT-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CO[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)N(C(=O)OC(C)(C)C)C1 2267563317 NUXCYHNHLXPWNL-HOTGVXAUSA-N 449.357 2.068 30 10 IEEE C[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2267727438 JMCGXQKRUWGIIN-ZDUSSCGKSA-N 431.385 2.115 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268632288 IOWVMPORSMDNFK-SFHVURJKSA-N 447.385 2.057 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2269760395 AXVYOXVHENVBCO-HNNXBMFYSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@H](O)C#Cc2cccc(Br)c2)C1 2278732699 LHRGQIQNHUNLFT-CVEARBPZSA-N 444.347 2.196 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(Cl)CC2(F)F)OC1(C)C 2282841221 SXSQINHLQPPTRI-CQSZACIVSA-N 427.731 2.483 30 10 IEEE O=C(O)CN1C(=O)C(=O)C(=C(O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1[N+](=O)[O-] 2296212875 GERHWCJSZRVCRO-MRXNPFEDSA-N 427.325 2.009 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2337200817 NHAIGZGQGVNPPS-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC 2352311998 VSDQSFPLZGKKFD-ZACQAIPSSA-N 427.339 2.289 30 10 IEEE Nn1c(N/N=C/c2ccc(F)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20528088 DWMHVNZKENQLJD-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE C=CCN1C(N)=C(C(=O)OCC)[C@]2(C(=O)OC(C)=C2C(=O)OC(C)C)c2ccccc21 20609244 KMAGGLIUOIJZPI-QHCPKHFHSA-N 426.469 2.446 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 27559417 LCGMIZROGKSZIF-IBGZPJMESA-N 434.540 2.164 30 10 IEEE COc1cc(OC)c2ncnc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2c1 433026572 QBGGDGXBPIICDT-UHFFFAOYSA-N 439.497 2.030 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(N)=O)c3cccc(Br)c3)cc2C1=O 478299247 OUAHIJBQWHUSCV-MRXNPFEDSA-N 442.269 2.188 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)n2)c1=O 479367866 PQQCKSRVUQYJHI-UHFFFAOYSA-N 435.505 2.118 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 480111336 SISFHANRPPVGSC-PXAZEXFGSA-N 447.314 2.369 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 498676491 RHIKQQZWXWXMOT-RBBKRZOGSA-N 449.546 2.118 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N 508781405 YTPVJPVZSOHJQA-INIZCTEOSA-N 429.498 2.294 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 520894937 QZINPOKPVHTMQD-KRWDZBQOSA-N 425.938 2.195 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(F)cccc3F)c2=O)CC1 523305761 CZTAGFMWCVQBFO-UHFFFAOYSA-N 443.519 2.327 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1 524464324 KJBSMDVJPZOVEZ-UHFFFAOYSA-N 448.011 2.181 30 10 IEEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 542259055 IELOZBFUZYOPAK-UHFFFAOYSA-N 444.469 2.154 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 542960336 ZRNMPWMYQFDECP-KRWDZBQOSA-N 428.880 2.252 30 10 IEEE Cc1nc(-c2ccc(CNC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)cs1 552479317 OJDFNZAEGSYZPB-UHFFFAOYSA-N 446.536 2.350 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cc1F 553660394 SVTVLTFOVSFAFI-UHFFFAOYSA-N 449.507 2.137 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCN(C2CC2)C1 570851757 STSUIWGUCZLTNK-QGZVFWFLSA-N 429.594 2.406 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(F)c1 585731640 MVVXQGJPKNXVOQ-UHFFFAOYSA-N 430.430 2.373 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)cc3)c2=O)cn1 588893199 ZAFWDMGYOWFPMQ-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1C 603923192 VZOWCHNWLFTEHO-UHFFFAOYSA-N 441.459 2.058 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cocn2)C1=O 741449111 KELQUONBQPPHFC-GOSISDBHSA-N 440.529 2.136 30 10 IEEE COc1ccc(CNC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)cc1C#N 747358413 QOIITILVDIOHIK-UHFFFAOYSA-N 443.891 2.360 30 10 IEEE C=CCn1c(-c2cccnc2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1=S 747829250 ROSMTTDPYPZXBK-QAETUUGQSA-N 443.529 2.045 30 10 IEEE Cn1cc(-c2csc(=Nc3ccccc3C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 753747137 KBEAYODUXVLMMQ-HNNXBMFYSA-N 442.570 2.336 30 10 IEEE N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 768721087 NQXBLSQTXZNKFY-UHFFFAOYSA-N 443.389 2.325 30 10 IEEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)C1=O 770685062 JAVLRBDCPRFCSK-NRFANRHFSA-N 449.555 2.395 30 10 IEEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)[C@@H]1CCS(=O)(=O)C1 774216190 IMFZQXTXGDHWLX-OXQOHEQNSA-N 440.525 2.227 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(Cc4ccc(N(C)CCC#N)cc4)CC3)C2=O)n(C)n1 780789519 DTXBOXANRZVHLN-QHCPKHFHSA-N 449.603 2.392 30 10 IEEE CCCCCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 785497323 CIQIHYAUYDTFTJ-UHFFFAOYSA-N 444.623 2.151 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1Br 788652432 JJSIIMRDARTWIG-CZUORRHYSA-N 441.303 2.427 30 10 IEEE CC[C@H](C(=O)OC)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 791630864 FCOHLTNKQHILSO-LSDHHAIUSA-N 431.489 2.098 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 800776670 GZIBKDNBBGCLAK-QZTJIDSGSA-N 432.569 2.099 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 805782997 RSHGTDCOXKINRC-NRFANRHFSA-N 436.537 2.209 30 10 IEEE Cc1cc(=O)c(C(=O)Nc2nc3n(c2C#N)CCOC3)nn1-c1ccccc1C(F)(F)F 1135005894 LSHOGWOMFMHLHO-UHFFFAOYSA-N 444.373 2.410 30 10 IEEE C=CC1(CC(=O)NCc2ccc(S(=O)(=O)NC)s2)CN(C(=O)OC(C)(C)C)C1 1136146248 QDDIFGLQWVAGPE-UHFFFAOYSA-N 429.564 2.086 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 1140183212 LXYJNGVJKXBHBZ-YRYLYKBFSA-N 434.464 2.419 30 10 IEEE CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)CC1 1144678993 LVCOUPOJHTWQJL-UHFFFAOYSA-N 433.350 2.337 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)CC1 1151290377 OAWCVYNSRBLIHX-FUHWJXTLSA-N 433.530 2.025 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)CC1 1199351036 WBMWIZQDBAINIK-RXVVDRJESA-N 448.589 2.399 30 10 IEEE C#CCC1(NC(=O)NC[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)CCOCC1 1252627133 RLGQPGVARYLRMF-INIZCTEOSA-N 425.451 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCS(=O)(=O)NC 1286302625 VATLJKFWIZFXGU-QGZVFWFLSA-N 433.578 2.296 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286392733 MYFHFLBMMQBUAI-HXUWFJFHSA-N 442.585 2.417 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286699018 MONWTWCGYWEQIU-GOSISDBHSA-N 445.593 2.042 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286756854 YBFLVQZQKDGYDX-MJGOQNOKSA-N 437.548 2.076 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1286764102 GDUCTMDQIQDQKY-KRWDZBQOSA-N 438.536 2.452 30 10 IEEE C=CCn1c(N(CC)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286778206 UUHKVKDVSJJRNH-GASCZTMLSA-N 427.571 2.106 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)c2ccccc2)CCOC1 1296662605 DYLVLSXXRVWPRT-JXHRLWIKSA-N 440.548 2.184 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300493170 RUXVOKNPTLSMSV-MRXNPFEDSA-N 449.964 2.300 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(CC)c1 1300635547 QGNAABPPVYUKBS-UHFFFAOYSA-N 446.603 2.367 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCS(C)(=O)=O 1300743423 PLUDJBCDVSEEAL-UHFFFAOYSA-N 444.586 2.182 30 10 IEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300861809 NBQDNRVULVNCAT-IYBDPMFKSA-N 437.294 2.336 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300991644 PAEBVPSSYDMCDM-UHFFFAOYSA-N 438.511 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C 1301483287 NGFSNYJQTFKIQU-LBPRGKRZSA-N 437.342 2.342 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)C2CCCCC2)C1 1301535131 IEGJQAPJTHELNE-LJQANCHMSA-N 444.580 2.087 30 10 IEEE CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2)CC1 1302751731 WQQRAYLMULAQFH-UHFFFAOYSA-N 429.484 2.247 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)s1 1302837150 SDRGNCBIYMMQCL-CYBMUJFWSA-N 429.995 2.328 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1303642086 UTDWCMYCEHOPAF-AWEZNQCLSA-N 426.912 2.472 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)[C@H]1C 1305098324 DQNCMCNIEWNZST-IRXDYDNUSA-N 447.561 2.025 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1305532230 JQHQMTBXMMGHRD-QGZVFWFLSA-N 446.559 2.440 30 10 IEEE C=CCC1(O)CCN(C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CC1 1310224759 OPAIONFOKWRIPU-UHFFFAOYSA-N 426.517 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1312829594 HBPALKIDJYSIMW-ZWKOTPCHSA-N 444.536 2.175 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCC2)CC1 1313990631 JIQKQAIMVPQPEA-LJQANCHMSA-N 433.560 2.431 30 10 IEEE COc1cccc([C@@H](Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)N(C)C)c1 1315546436 HXSYDCLTWNFXDD-OAQYLSRUSA-N 433.516 2.433 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC[C@@H]1C 1315718463 PDDVJGAUKZRCOG-KVSKMBFKSA-N 429.546 2.113 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1316241371 YIINNMAKYWQZLA-FZYZMVIOSA-N 443.573 2.360 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1349039691 BHCUFDQNSIWEBC-MRXNPFEDSA-N 448.372 2.297 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1358960432 DVRCDKGUPHGLOM-IBGZPJMESA-N 439.541 2.095 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCCN1CCC(O)CC1 1358974561 JNUVEKGARIKSEW-UHFFFAOYSA-N 428.540 2.413 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCCn1cc(Br)cn1 1358976208 VGQVFQSTXUTWTQ-UHFFFAOYSA-N 441.337 2.191 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC(OCC)C1 1359073452 QDYRPVGULHDNKG-VUQFPLBCSA-N 443.573 2.192 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1359136998 AYMVNSHPQKAMDP-SJORKVTESA-N 433.578 2.388 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1359265592 IQLYXLPINDGHIK-BHDDXSALSA-N 444.624 2.349 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(C)(=O)=O 1359591714 FYNJOXOHRLQRNY-SPYBWZPUSA-N 427.546 2.073 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] 1450500269 SURRJGDQGKSEKX-HNNXBMFYSA-N 440.460 2.073 30 10 IEEE N#Cc1cccc2c1CN(C(=O)c1ccc(I)cc1-n1cnnn1)C2 1461270632 OZLVNQNZZUMVSM-UHFFFAOYSA-N 442.220 2.295 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1465909826 OCLKYGTYXZQAKN-ZFWWWQNUSA-N 442.896 2.307 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 1467599899 UAZPUPLLSPXNQZ-LBPRGKRZSA-N 444.406 2.121 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)cn1 1469590195 DRBHKGAINKAJEU-LJQANCHMSA-N 442.882 2.383 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 1470881512 RFWSXPQHRPKLAB-IBGZPJMESA-N 428.489 2.199 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2c(s1)COCC2 1472002036 MQWFMQWISCIEBC-OAHLLOKOSA-N 448.570 2.130 30 10 IEEE N#Cc1cc(F)c(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1Br 1472731224 CXINTOKQPFZSJU-QGZVFWFLSA-N 433.281 2.475 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1478734358 BJGRMQQYDVRRMG-WOJBJXKFSA-N 436.597 2.435 30 10 IEEE CCCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501212548 FUEYGXGNCQZPBM-UHFFFAOYSA-N 436.564 2.130 30 10 IEEE Cn1ncc(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1503691468 IDKMRIZMXHTOKI-HXUWFJFHSA-N 428.447 2.199 30 10 IEEE COCC1=CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1504652286 ROUBFJRJJMYMHX-DQRAZIAOSA-N 440.548 2.320 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507564804 XCDDLTHHJCLSHM-LPHOPBHVSA-N 430.530 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCS(=O)(=O)C1 1507705956 ZGJSDDSRXVIUDU-AWEZNQCLSA-N 440.928 2.258 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1507773826 XRWCPABBFLEFFU-YLJYHZDGSA-N 435.594 2.039 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 1507956858 HMYAAFVMOQEPDQ-UHFFFAOYSA-N 433.582 2.182 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F)C1CC1 1507993701 SXNFDLICEDQVBE-CQSZACIVSA-N 435.516 2.219 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](SC)C1 1508091056 KBKQRGBQVWONDF-OAHLLOKOSA-N 448.618 2.294 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)cc1 1508103863 HFRIBZFGHXSMNH-AZUAARDMSA-N 425.533 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCOC2)C1 1508142549 DYDOFKIPNWLUPK-QFIPXVFZSA-N 446.573 2.383 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCSC1 1509659953 WSQXRZPRNGEOPD-CQSZACIVSA-N 441.561 2.094 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1510295309 LOOKMDPPZZSMSW-QGZVFWFLSA-N 448.506 2.348 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1517472852 CVURLGHJVFBTCX-WKRVVKTRSA-N 442.589 2.326 30 10 IEEE COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1519127733 XPGCXFZJAOAWBT-NHCUHLMSSA-N 440.548 2.157 30 10 IEEE COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1531658382 DVGPOTHJKNTCCU-DOTOQJQBSA-N 433.892 2.135 30 10 IEEE Cc1nnnn1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1 1534105863 GWSANEHNOWIWFX-NMWGTECJSA-N 439.501 2.036 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1538976662 OARISYVCKKQLDV-AOMKIAJQSA-N 430.553 2.129 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539223976 ASOKOYFBDNBCGQ-LJQANCHMSA-N 428.558 2.109 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1539359425 GNJNUFDITJDPTJ-UHFFFAOYSA-N 447.547 2.219 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1COCCO1 1539385004 SXLCFXWTVUPPBB-HXUWFJFHSA-N 443.523 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1539469669 UBICACQYSZTFFG-BOCKYXSRSA-N 429.565 2.096 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539520013 MUWHOYICWMRDSE-KRWDZBQOSA-N 439.651 2.237 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539520670 VPKLOTXUXLIGTP-LJQANCHMSA-N 446.665 2.412 30 10 IEEE C=CCCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OCC)CCOC1 1540020636 KXMCUYDNENPYME-QFIPXVFZSA-N 427.553 2.321 30 10 IEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1540859955 YZJQTFDQSATYBJ-UHFFFAOYSA-N 441.502 2.417 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1540878605 BWXZTHBBZIQREY-OAQYLSRUSA-N 427.549 2.431 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@]1(N2CCOCC2)CCSC1 1543784497 RAPPHJDBKNNCMO-DYESRHJHSA-N 440.610 2.288 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)N(C)C 1546500581 GLUYFZACAQTRFL-LJQANCHMSA-N 430.578 2.063 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCOCC1 1546577165 GWYROOGVDIOCGN-SFHVURJKSA-N 440.573 2.444 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)C[C@H]2C(N)=O)cc1C(F)(F)F 1548367510 GYDQBOADBNFIFW-SFHVURJKSA-N 434.393 2.461 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1555816676 QUONECRLKCBQMM-UHFFFAOYSA-N 442.570 2.380 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(C)CCN3Cc3ccccc3)cc2C1=O 1557682673 HHDUAOSFHMSXDH-FQEVSTJZSA-N 432.524 2.015 30 10 IEEE Cc1cccc(CN2CCO[C@@H](CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)c1 1557975773 XEMUPIOFJGAXIK-QFIPXVFZSA-N 430.512 2.265 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)C2)cc1 1564719136 AEXUOUIVNCPWDU-UHFFFAOYSA-N 440.525 2.314 30 10 IEEE COC(=O)[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC12CN(C(=O)OC(C)(C)C)C2 1565356401 ZRUXXZXDYCPTDQ-MRXNPFEDSA-N 446.479 2.249 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)s1 1566313529 KFUXGNCKEPFFAS-UHFFFAOYSA-N 446.547 2.077 30 10 IEEE N#Cc1ncn(-c2ccccc2NC(=O)c2cnc(I)c(O)c2)n1 1570077360 JBHMFLMIUHTNGG-UHFFFAOYSA-N 432.181 2.096 30 10 IEEE Cn1cc(N2C[C@H](C(=O)Nc3ccc(C#N)cc3I)CCC2=O)cn1 1584666730 BTZZUYPFZBZWPW-GFCCVEGCSA-N 449.252 2.278 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CC1(C#N)CCOCC1 1586900907 NIEWYGZSOKBKNR-HIFRSBDPSA-N 447.454 2.077 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1587692674 IAUYBYMOYFHGTF-KRWDZBQOSA-N 441.557 2.037 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 1588059178 JRSBPOJWKHZJCQ-QGZVFWFLSA-N 444.557 2.270 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588059651 RJYYTWQEMJLDQD-UXHICEINSA-N 429.590 2.079 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588083238 CQOQARYBNFPZDO-RTWAWAEBSA-N 439.585 2.317 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1588166870 RXIAWDLHURNJQQ-QGZVFWFLSA-N 444.582 2.087 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1588245537 IKRIJPLKDVEZGT-SFHVURJKSA-N 442.564 2.024 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1589404897 NFRKNARXOIUDQO-LPHOPBHVSA-N 440.386 2.382 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1594553334 YUDFTIQCIQQZHV-XUVXKRRUSA-N 425.533 2.441 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1594646128 UZQNLAIAZGAPSY-UHFFFAOYSA-N 444.609 2.497 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1595170463 COXZSHKDTFUNEL-UHFFFAOYSA-N 443.573 2.285 30 10 IEEE C=CC1(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CN(C(=O)OC(C)(C)C)C1 1595861971 WMGQZEMIIBCQNO-OAQYLSRUSA-N 428.489 2.493 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N)N(C)C 1603200504 FGXGNMAHNSSJOJ-XLIONFOSSA-N 436.568 2.493 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CC(=O)N1C 1612911976 UOYPGZVFMBNUKS-XLIONFOSSA-N 438.532 2.069 30 10 IEEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1616176481 DNOJLSNGFMTJDP-HSZRJFAPSA-N 440.548 2.116 30 10 IEEE COCCOC1(Cn2c(-c3cccnc3)nnc2N2CCC(C#N)CC2)CCOCC1 1620036356 UZXSCKQQLUCGBM-UHFFFAOYSA-N 426.521 2.292 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1)NC(=O)OC(C)(C)C 1620309916 ABYGNBSPYLESEJ-GDBMZVCRSA-N 431.541 2.272 30 10 IEEE COc1ccc(NC(=O)c2nc(O)c(C#N)cc2C)cc1S(=O)(=O)N1CCCCC1 1624313150 CVVZJMVJAQGTBQ-UHFFFAOYSA-N 430.486 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc([C@H]4CCCO4)n[nH]3)C2)C1 1627747268 SKSFPVVHZRSSKA-IYOTWJRTSA-N 430.509 2.059 30 10 IEEE C=CCC[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OCC 1627751780 HMWCJWCHUNRNTP-ZDUSSCGKSA-N 425.279 2.189 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1ccccc1Br)c1cc[nH]n1 1630373468 RIZLMDKICFESCR-LBPRGKRZSA-N 437.294 2.203 30 10 IEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1634564981 JIWCCYMJXFDNGB-KRWDZBQOSA-N 438.923 2.251 30 10 IEEE N#CCCN1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 1635905640 GNORCVHEOJXLJR-UHFFFAOYSA-N 433.541 2.479 30 10 IEEE C[C@H]1CN([C@@H](C)CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C[C@@H](C)O1 1636495021 HGVNUGUOTYDUCP-OKZBNKHCSA-N 439.564 2.056 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C2)C1 1639192428 IIIGKXLGLSCKHM-VVHFOWEKSA-N 428.415 2.227 30 10 IEEE C#Cc1ccc(C(=O)N(CC)[C@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1640600129 UGRAMIIGSBSHPH-QGZVFWFLSA-N 428.533 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1C[C@@H](CO)OC(C)(C)C1 1643159981 DVSXLXPZDUJAPE-HKUYNNGSSA-N 429.517 2.391 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 1643806874 FOQULRNVBFVLPO-INIZCTEOSA-N 444.532 2.400 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 1643850070 KHLDXWAQOREMTH-IMFGXOCKSA-N 433.574 2.461 30 10 IEEE C#C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1643853803 CBTFXKZCUINTKP-INIZCTEOSA-N 426.494 2.379 30 10 IEEE CC(C)c1ncc2c(n1)CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1646270615 ANGPTZFCXZSHST-AWEZNQCLSA-N 427.530 2.002 30 10 IEEE Cc1cc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)cc1I 1648418258 KCBDOWMRHJIRJA-HOCLYGCPSA-N 430.311 2.278 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H](CO)[C@@H]2CCCOC2)cc1 1654728773 CWUXMVUQDICPLO-UTKZUKDTSA-N 426.517 2.290 30 10 IEEE C[C@](CO)(Cc1ccccc1F)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1654936137 QUNVAURASSHTHD-LADGPHEKSA-N 442.510 2.257 30 10 IEEE C=CCN(CC=C)[C@H](CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1654982897 KXVCAMSFAWBHBK-GOSISDBHSA-N 430.615 2.072 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n(-c2ccc(F)cc2)c1C 1655521012 CJJXZLCQQWLFLM-IAGOWNOFSA-N 444.532 2.410 30 10 IEEE CC(C)CN(C[C@H](O)CC1(C#N)CCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1657605884 IHOMBINEOPRXFK-GOSISDBHSA-N 425.533 2.487 30 10 IEEE COC(=O)c1ccc(F)cc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1662835722 CFILNDAXSZHREB-UHFFFAOYSA-N 431.489 2.427 30 10 IEEE Cn1nccc1[C@@H](O)C1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1664614993 ADTXKSROTZDSOO-KRWDZBQOSA-N 439.335 2.189 30 10 IEEE C#C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)c1ccc(Br)cc1 1674031322 RVTOCLILRDAMDT-INIZCTEOSA-N 440.294 2.409 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1 1682652980 MSMFVRLTTHDPNB-LJAQVGFWSA-N 430.452 2.229 30 10 IEEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CCO2)O1 1683536326 HRPJZVWHKZOWQW-SFTDATJTSA-N 428.533 2.085 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 1686549197 ZDQRPQGQRANMBA-PMACEKPBSA-N 426.561 2.030 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCOC(C)C)c1 1689870730 YLWHOKPLAXKISN-LJQANCHMSA-N 438.532 2.101 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1689912898 CQROTXMWHOTVAT-LAUBAEHRSA-N 431.562 2.054 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689986427 PVELOQFUVHGMPE-LJQANCHMSA-N 437.525 2.024 30 10 IEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690231543 FYOPXIFQCKCTAN-HNNXBMFYSA-N 446.415 2.437 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690464941 NROKCVGHFBKIAT-CEXWTWQISA-N 439.626 2.082 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCOC2)cc1 1690680608 WPQZVBFBWCJZPZ-RBUKOAKNSA-N 446.573 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2)CC1 1690724023 GMBDXWJLWLXSKA-IBGZPJMESA-N 445.589 2.100 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)c1cc(OC)cc(OC)c1 1690724957 ZNZCNIGZLRMCDD-OAHLLOKOSA-N 436.534 2.168 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](F)(C#N)C1 1696496083 ONTDIIOWRWVYBP-HXUWFJFHSA-N 446.508 2.463 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1696954216 CMQVWLUULFGUOG-UHFFFAOYSA-N 444.543 2.288 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1705477629 QPKOMTJGAZZBMZ-GHMZBOCLSA-N 435.497 2.475 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)c1 1705504455 WZAYRIVAZDWEIO-WAIKUNEKSA-N 425.533 2.172 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Sc1ccccc1 1705582484 BVXXICIAJQGPQP-QZTJIDSGSA-N 428.583 2.434 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1705638814 XMTKFPOLWYIJJZ-SFHVURJKSA-N 428.487 2.144 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1cnn(C)c1 1705666544 BDFLLTOACIIXPH-WDSOQIARSA-N 430.578 2.444 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1705705865 MDFVEWDNJSDKKE-RFWXGWTQSA-N 441.580 2.083 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCCCO)CC1 1705761333 IYOYGHLLJVPVME-UHFFFAOYSA-N 433.940 2.417 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(=O)COC)CC1 1705815478 XHEAVBIYINHCKY-UHFFFAOYSA-N 441.532 2.414 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705826109 NZXXUQOTAUGODZ-IBGZPJMESA-N 442.564 2.182 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705829319 NLMSXYPJGIHIEL-FQEVSTJZSA-N 426.565 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC)c(OC)c2)C1 1705922963 WRHYCLXJAAZTMF-MSOLQXFVSA-N 441.532 2.466 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705947187 CVMGPDZSNLZXTH-OAHLLOKOSA-N 427.621 2.176 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1710768764 CWGUOCBXQGBZCV-RBUKOAKNSA-N 438.532 2.260 30 10 IEEE CN(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711018513 XWDKPDZWUSCABI-RTWAWAEBSA-N 440.548 2.157 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCCO[C@@H]1CCOC1 1711086571 OUVUAOSJUIIRHK-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE COC[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712131429 BLWYAZJHCIXKGB-OAHLLOKOSA-N 438.536 2.369 30 10 IEEE C#CCCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722323961 YHQCZHKQILFIBN-HSZRJFAPSA-N 431.581 2.035 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722332825 DMNAFHNXIADDTN-LJQANCHMSA-N 437.548 2.255 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)F 1722383380 HIIPJTYUECFZDX-AWEZNQCLSA-N 427.427 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1C 1722396854 LQTUJZQMTZAOHN-PMACEKPBSA-N 440.569 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccn(C)n2)CC1 1722443174 OTQOZJQOTMFDPJ-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 1722552369 PTJPDUQMVJREPH-UHFFFAOYSA-N 425.867 2.370 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1722631473 NVLFBQGNHNBPCA-UHFFFAOYSA-N 426.912 2.070 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(F)(F)F)C1 1722701861 GUZWUJCATURFFJ-HNNXBMFYSA-N 425.459 2.221 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1722705636 FYAOXIDEQJZRSY-UHFFFAOYSA-N 435.475 2.443 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)COCCO1 1722948774 HRZUSERXESKMLJ-QHCPKHFHSA-N 439.564 2.265 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)SC 1727204764 FEZCPNANLILBIO-ZDUSSCGKSA-N 443.577 2.483 30 10 IEEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CC1 1729819878 GQFMGOVNILUFCS-XZOQPEGZSA-N 438.532 2.246 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740595875 LTKNINFNEAUAFG-IBGZPJMESA-N 433.472 2.412 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1740611430 DLHYHKCLQRCLIU-UHFFFAOYSA-N 432.528 2.227 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1740626802 YXWFVEJLMCOGIN-HXUWFJFHSA-N 444.601 2.363 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)C(=O)NC)CC1 1740700707 ZNJBVSGCDPBNTF-UHFFFAOYSA-N 440.617 2.406 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740883162 LCXMYPZGQCQGMD-HXUWFJFHSA-N 428.581 2.425 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740943818 MOBLWTWAJCXJEY-INIZCTEOSA-N 446.458 2.499 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccco1 1740963692 UGLZVVOCZXJOJA-AWEZNQCLSA-N 428.518 2.362 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1740985735 UFSFRLNVHVCQTF-QPHCHLROSA-N 441.557 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740992593 RIWMCQHSCVOBMZ-KEYYUXOJSA-N 449.404 2.403 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1746565326 HXAXMHWSYZGDNT-SJORKVTESA-N 427.509 2.230 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCCN2CCOCC2)CCOC1 1746684367 IYQDQHOAKOJEBL-HSZRJFAPSA-N 446.596 2.173 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnc(C)s1 1747442503 DSPCVYWEAASFTB-UHFFFAOYSA-N 445.574 2.157 30 10 IEEE CCSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747507915 FFAVBZXIPBDGDA-UHFFFAOYSA-N 442.593 2.153 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1747944933 SDGRCNDTFONTRU-SFHVURJKSA-N 447.561 2.026 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748637802 GHCWNSKLXOJVLY-QFBILLFUSA-N 438.532 2.040 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1748751615 ZQOSHOBVGWLMMZ-MSOLQXFVSA-N 433.553 2.315 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1748971661 YKSHQDKKIIKBJF-RBUKOAKNSA-N 430.597 2.157 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([S@](C)=O)CC2)CC1 1748978122 NIPNTEQPUUMAFZ-MYGHRHJXSA-N 445.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC(C)C)N(C)C)CC1 1748993789 LZXLREVKURNSFR-JOCHJYFZSA-N 448.619 2.248 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)[C@H](C)CCC)CC1 1749009010 DZGQQCVPPLGFRE-QGZVFWFLSA-N 428.581 2.064 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccon1 1749222590 KJOSRDFDHLGHCC-UHFFFAOYSA-N 435.488 2.409 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)(F)F)CC1 1749312021 AFUJTSOOVSMMHY-UHFFFAOYSA-N 442.467 2.105 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749355811 KBEJZXRKKRULPX-VQIMIIECSA-N 428.512 2.494 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1751094151 FGCIHTNIDCQWMJ-PMPSAXMXSA-N 431.541 2.367 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760136340 USOMSEUFCXIROM-SFHVURJKSA-N 434.548 2.485 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1760155218 UBPOAJSYZWWVGW-LJQANCHMSA-N 425.489 2.483 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H](C)C1 1760226307 BBFZSONEYCXIGA-ZWKOTPCHSA-N 445.589 2.470 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCOc1ccc2c(c1)OCO2 1760248946 GLIACBCQZCBXLC-KRWDZBQOSA-N 428.489 2.066 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 1760387496 ONFWXHRBOLVWLF-GOSISDBHSA-N 429.546 2.250 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760833071 QEVASEHGWRFVLC-IBGZPJMESA-N 449.559 2.036 30 10 IEEE Cc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)s1 1762252065 FHASJGGMSRARNQ-MRXNPFEDSA-N 434.591 2.432 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1763927611 LLIDIXAOHHIHTB-HXOBKFHXSA-N 438.532 2.117 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1764543810 KLJMJMOEKKBZOB-LJQANCHMSA-N 433.520 2.166 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1767139511 JKMMNAXIZQCPMC-AWEZNQCLSA-N 448.409 2.131 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1767189958 RGUVASKNACJAMA-UHFFFAOYSA-N 426.496 2.283 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1767841302 DVODHTOJQVABPP-JXFKEZNVSA-N 434.541 2.392 30 10 IEEE COCCN(C)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1771078272 HGZJPBVVFTUXGZ-KRWDZBQOSA-N 449.353 2.015 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1771535358 KFHDHPIXXWVVOF-ROUUACIJSA-N 438.523 2.268 30 10 IEEE N#CCc1ccc(C(=O)OCC[C@@H](c2ccccc2F)N2CCS(=O)(=O)CC2)nc1 1851592146 VAMCAJNERPDNEC-FQEVSTJZSA-N 431.489 2.305 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc1C 1852111678 AIQRNBOMCSBLOU-IBGZPJMESA-N 444.488 2.420 30 10 IEEE C[C@H]1CC(=NC(=O)CNS(=O)(=O)c2c(F)cccc2F)NN1c1ccc(Cl)cn1 1853236718 CDCOWMSEJXPFLZ-JTQLQIEISA-N 443.863 2.020 30 10 IEEE C[C@@]12CCC(=O)N1CCCN2C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1855820092 UNIMHIBBUYVMTI-ZHRRBRCNSA-N 428.920 2.439 30 10 IEEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)Cn3c(C)cc(O)cc3=O)nc12 1859489178 CXFMDKIHMANWMC-UHFFFAOYSA-N 444.451 2.424 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCO)cc1 1862461289 BNCXLPBLWWVFNA-QGZVFWFLSA-N 435.354 2.461 30 10 IEEE COCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874473919 DIXAZCROZJVCGZ-DJKKODMXSA-N 437.478 2.254 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c1 1890113093 KDHLUSAWIBRKES-QUCCMNQESA-N 440.525 2.095 30 10 IEEE C#C[C@]1(Oc2ncnc(I)c2N)CCN(C(=O)OC(C)(C)C)C1 1986534820 GIFNRGPEAOTCPU-HNNXBMFYSA-N 430.246 2.055 30 10 IEEE CCOC(=O)C1=C(COC(=O)C2(C#N)CCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 2059836087 IGOLLYKYUKTCMS-SFHVURJKSA-N 427.457 2.493 30 10 IEEE C#CCN(C)C1CN(C(=O)c2cc(Br)ccc2I)C1 2134629054 MBUDIQKMPYEMDA-UHFFFAOYSA-N 433.087 2.443 30 10 IEEE Cc1cnc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224118385 TXVOIQPEUMNDEW-SJORKVTESA-N 433.358 2.471 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)C1 2247549717 NFWTVAKYMQERKK-QWHDWNGZSA-N 431.455 2.351 30 10 IEEE CC(C)C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255627461 TXKGOZKKKRWGPR-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2255811957 LHAXUCFCLLLTLH-IRXDYDNUSA-N 429.326 2.215 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CNC(=O)OC(C)(C)C 2255837316 NOIRITPPULLQFL-UHFFFAOYSA-N 436.362 2.235 30 10 IEEE COc1ccc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255869215 YKBAYRDHRMDQDV-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2264254710 JDKYSQQLAMTNEF-OPAMFIHVSA-N 434.342 2.154 30 10 IEEE Cc1c(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995744 CQJHOFPDUSEZOF-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267290138 YYJGFVZJTULJES-UHFFFAOYSA-N 449.357 2.116 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2267567020 HJJGWAWNLILENK-ZWKOTPCHSA-N 447.385 2.211 30 10 IEEE Cc1c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2271951053 DHNZXIRHNIXEHZ-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE C[C@H]1CC[C@H](C2OCCO2)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282862215 ZRLUWDPSLLXTCB-DZGCQCFKSA-N 443.396 2.209 30 10 IEEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2296228134 VZKVWBXYLUJUBA-MBOZVWFJSA-N 439.350 2.433 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)cc1OC 2296576790 CMVBMKWWKNIIOC-FQEVSTJZSA-N 425.485 2.472 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)cc1OC 2296935989 SPZRAXXXIHUDLE-HXUWFJFHSA-N 442.468 2.051 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccncc1 2327826683 YBKUGTYGVWIBDW-MRXNPFEDSA-N 443.577 2.288 30 10 IEEE CCOc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 2327842475 GCXFGLOCJTYVPU-OAHLLOKOSA-N 444.561 2.251 30 10 IEEE CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2328977838 GAZHNEFIQJNNRF-CYBMUJFWSA-N 446.489 2.286 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2329045275 VKYDEHWBKRDADM-HNNXBMFYSA-N 432.506 2.267 30 10 IEEE C=CCNC(=O)N1CCO[C@@H](CN(CC(C)C)C(=O)c2cc(OC)c(OC)c(OC)c2)C1 37611752 RREHMGCLVYESCM-GOSISDBHSA-N 449.548 2.407 30 10 IEEE C#CCN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CCS(=O)(=O)C1 221946872 WUWSOCSFXOHBQO-LLVKDONJSA-N 437.686 2.207 30 10 IEEE COCCCn1c(=NC(=O)c2cccnc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 254384617 UPSIDXWAZRQSSV-UHFFFAOYSA-N 428.452 2.002 30 10 IEEE CN(C)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254750599 DLSFOPHBFKHDCH-RTBURBONSA-N 445.566 2.433 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 468596589 BUMSXLBFNYTLBG-WMZOPIPTSA-N 440.500 2.344 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C)[C@@H](OC)C3)nnc12 469884935 QPZAKMWIQUEJRH-PBHICJAKSA-N 427.530 2.206 30 10 IEEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)ccn1 474202244 SGAPUINXHDGGQY-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1C#N 489619567 GMWVIVLRMXDJKN-HNNXBMFYSA-N 438.431 2.360 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1C[C@H]1CCCO1 504056448 JJENNNVARMASHE-MRXNPFEDSA-N 445.972 2.080 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 507088211 MEMOIDNBQLLTKV-UHFFFAOYSA-N 446.507 2.246 30 10 IEEE N#Cc1ccnc(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1 508456226 LKGDFRRYIOUIGR-HNNXBMFYSA-N 449.330 2.299 30 10 IEEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 508491058 FGVJIRUCIWPKAP-AWEZNQCLSA-N 430.475 2.230 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)nn2)cc1 532292770 NSZHQTXYVSOIBM-UHFFFAOYSA-N 435.463 2.318 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 535120956 MFBLMGSSXNBXLF-XLIONFOSSA-N 428.851 2.169 30 10 IEEE CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1ccc(Cl)c(C#N)c1)C2 551551603 IOKPPYHOQRRVKP-UHFFFAOYSA-N 439.946 2.209 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 564382040 XFTNSCRSPZAUNG-UHFFFAOYSA-N 432.506 2.044 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c(F)c1 609256016 RPNPMIVXAMBODA-UHFFFAOYSA-N 444.850 2.078 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 670233581 XIPUNRMHIYVHBB-UHFFFAOYSA-N 431.585 2.499 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 725772790 KWKCTEPDZCRWSY-UHFFFAOYSA-N 446.485 2.399 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 731020397 PXXKGWXQHSDUBG-QGZVFWFLSA-N 449.573 2.365 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1CCN(c2nc3ccccc3s2)CC1 732455115 HBGZHGMXBUOFNZ-HNENSFHCSA-N 440.529 2.091 30 10 IEEE COC(=O)[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C#N)cc1 740001394 SQNRWEOVBIHSQO-NRFANRHFSA-N 427.526 2.356 30 10 IEEE CC(C)[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCc2ccccc21 741339658 ABLJTPRDVPDZAG-JBCNATCCSA-N 425.485 2.450 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)cc1C#N 747496859 RVBKLQHFHXTWAC-UHFFFAOYSA-N 446.257 2.355 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cccc(C#N)c2)C1=O 748318589 RUZNWAOXSCTONU-HSZRJFAPSA-N 435.436 2.068 30 10 IEEE C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751728608 PWAZRIMXYLZEOZ-OAHLLOKOSA-N 444.513 2.255 30 10 IEEE COc1cccc(/C=C(/C(=O)Nc2cnn(-c3ncccc3C#N)c2)n2nnnc2C)c1 763714460 WHTZUBFKRLJZFH-GRSHGNNSSA-N 427.428 2.079 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c(C)c1 774258207 ACNPKRPWEXUUTJ-GOSISDBHSA-N 434.606 2.464 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774261614 BNMLSHAFVXDSEJ-FRQCXROJSA-N 441.956 2.304 30 10 IEEE N#CCCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 779257184 RQMDJYIONZCPAD-KKXDTOCCSA-N 439.484 2.488 30 10 IEEE COC[C@@H](CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C)OC 781101739 CPHDNJNDJKETKR-WBVHZDCISA-N 443.529 2.407 30 10 IEEE C[C@@H](CC(=O)OCc1ncc(Br)s1)/N=C1/NS(=O)(=O)c2ccccc21 785036956 WOYNFQQFKXVDMI-VIFPVBQESA-N 444.332 2.466 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 789742790 YHZMXRFRRXZTFH-HXUWFJFHSA-N 446.569 2.285 30 10 IEEE COCCn1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nnc1N(C)C[C@H](C)C#N 802425367 IFQWZYILULPVQO-QGZVFWFLSA-N 446.577 2.362 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCCc2ccc(Br)cc2F)cc1C#N 805175467 ROTRIBBXQCOBPW-UHFFFAOYSA-N 434.265 2.444 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)COC(=O)Cn2c(O)nc3ccccc3c2=O)cc1C 915403287 PQXGJTGBGJRYJN-UHFFFAOYSA-N 434.452 2.209 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1OC 915484796 LPBOAQCTEPKQHP-NXHRZFHOSA-N 443.500 2.024 30 10 IEEE CCC(=O)N[C@@H](CCSC)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918615965 HFMXBPQRAMFCGU-UDWOFDDZSA-N 440.591 2.086 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)cc1 1084189695 QUJWAZZWRLMZQP-UHFFFAOYSA-N 425.518 2.488 30 10 IEEE CN(C)S(=O)(=O)c1cccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1129211142 NBUWKDJQIKQBEQ-QGZVFWFLSA-N 438.550 2.140 30 10 IEEE C#CC[C@@]1(C(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1130681682 XKPUBDALRVJVJC-OALUTQOASA-N 431.455 2.306 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCCN1CCN(c2ccncc2)CC1 1136462775 VRIPPKYRZJXJBJ-FQEVSTJZSA-N 444.580 2.297 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(OC(F)F)c(Br)c1 1144429099 MAZAGDWJPAYXPI-FYWRMAATSA-N 430.205 2.307 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)NC3(C#N)CCOCC3)ccc2NC1=O 1147006795 FCRYMZVTYLEPSQ-KRWDZBQOSA-N 428.489 2.267 30 10 IEEE CCNC(=O)N1CC[C@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1149444738 SAZARLCFEWZTTD-PKOBYXMFSA-N 441.532 2.313 30 10 IEEE C=CCN(C)CCN(CC)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1156667865 IECWSKGKOXBCGH-UHFFFAOYSA-N 444.395 2.470 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)c1 1181745281 CFHDCVBAFGNDBP-KNQAVFIVSA-N 426.494 2.011 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1cc(Br)cc(Br)c1)C(=O)OC 1193744280 XBSVUCCTTRGPKA-NSHDSACASA-N 425.098 2.055 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)CC1 1226703249 NFSKELZDAPSBIY-ACBHZAAOSA-N 432.546 2.252 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCOC[C@H]1C 1286419204 ZFQVGJASMFDJSC-LJQANCHMSA-N 437.544 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(C)cc1 1286431953 ULZAWLHVLOSLOP-HXUWFJFHSA-N 440.569 2.421 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286440075 MIUDTXVRFYIKOM-QGZVFWFLSA-N 438.557 2.234 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Cl)s2)CC1 1286483674 TYJFIPYKLKJHMI-UHFFFAOYSA-N 432.981 2.113 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccn(CC)c2=O)CC1 1286487322 MVSMGPAKDNLICY-UHFFFAOYSA-N 448.527 2.042 30 10 IEEE C=C(Br)Cn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286547571 IFSBSZYTMQCXMR-YJBOKZPZSA-N 428.375 2.369 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C 1286563688 QROOFRFMWLERSC-CTNGQTDRSA-N 444.624 2.301 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286633739 UBSGDHBQOWHHPW-RBUKOAKNSA-N 433.988 2.439 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)CC1 1286881665 ALZLEDHBPLCXAI-UHFFFAOYSA-N 437.529 2.211 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1287136726 GUSAGXUKPFQKGJ-IBGZPJMESA-N 433.520 2.022 30 10 IEEE COc1ccc([C@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cc1 1287423399 HRSNLVNXEPXYIW-NHCUHLMSSA-N 448.479 2.372 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(C(=O)CC#N)CC2)nnc1-c1ccc(Cl)cc1 1294723718 SWKMWGWZYBTGLR-UHFFFAOYSA-N 444.948 2.461 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1295174084 CCZDEDBALKVXMO-OALUTQOASA-N 429.546 2.255 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1296123831 CNHLPQYKJHLZGS-JPYJTQIMSA-N 436.539 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C12CCCC2 1300339808 GPRUQCKHWHWNJN-OZNQOIHVSA-N 432.521 2.341 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(CCN(C)C)CC1 1300469004 ULVBFBXWJNBYSE-UHFFFAOYSA-N 430.547 2.490 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)SC 1300575551 YLZKWURKTNPVCA-INIZCTEOSA-N 430.603 2.453 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1300630920 JQLKFIGZCYYAQB-ICSRJNTNSA-N 429.590 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H]2C)CC1 1300718672 DRCATYHMZCBEBC-LJQANCHMSA-N 445.571 2.267 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300863168 JVRXMZVJROTVHK-ZIAGYGMSSA-N 425.331 2.079 30 10 IEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2cc(C)nc21 1301425077 CDZBIUWRRSHPLU-GOSISDBHSA-N 427.553 2.122 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301497719 BKFGENZSLXZEPE-KRWDZBQOSA-N 448.568 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1 1301589669 WCDHNOIUUHHZSU-INIZCTEOSA-N 426.583 2.167 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1303642033 UDBQCZJERGUTEH-IWKHNONTSA-N 437.479 2.273 30 10 IEEE C[C@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@@H]1C 1305255253 CQCZTSKJLRUMEG-BFYDXBDKSA-N 426.546 2.338 30 10 IEEE CCC1(CC)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1305895469 SIPJWHSLLJFVOJ-IGGDJGDASA-N 428.537 2.325 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1311289099 BMPVRDXIHILEPF-MRXNPFEDSA-N 447.474 2.440 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(C)(C)O 1316209463 QTYYKJWMFQJTNK-SFHVURJKSA-N 442.564 2.361 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1316284559 ALAXJPPVSCKYKF-STHPQGGCSA-N 432.500 2.340 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1316466413 RMTHDFBYPSCBDK-QGZVFWFLSA-N 448.618 2.288 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(F)(F)F)CCO1 1316535222 GPZHPZKGGXGGAC-ZDUSSCGKSA-N 428.802 2.153 30 10 IEEE COC(=O)c1coc(C(=O)/C(=C(/S)NC[C@@H]2CCCCO2)[n+]2cc(O)ccc2C)c1 1341213059 SMXMJIOOKVOPBF-INIZCTEOSA-O 433.506 2.465 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1358918846 IZAPFVOQPASKFH-UHFFFAOYSA-N 440.548 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1358996516 IEMBIXPGUITRNY-UHFFFAOYSA-N 439.585 2.452 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1359010103 GSGOHFPUSFKTQH-INIZCTEOSA-N 426.546 2.149 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1359055856 QZAMBMUQOVDWHD-AZUAARDMSA-N 444.649 2.339 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359134599 APRMKHDEZBIXLY-GOSISDBHSA-N 438.532 2.499 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)CC1 1359178987 IPIMWXIPYZMYGO-OQRWROFFSA-N 428.624 2.130 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N(C)C 1359258120 HCJZYBQJVFYKCU-UHFFFAOYSA-N 426.546 2.424 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccs2)CC1 1359300088 SZLHXSWDFBUNJK-GOSISDBHSA-N 430.578 2.206 30 10 IEEE C[C@H](CC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1452531226 XPQPGHQJNRFLAG-LALPHHSUSA-N 433.452 2.120 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(CC)c(C(=O)OC)s2)s1 1466172679 FFDCCDFICDISLM-UHFFFAOYSA-N 429.545 2.199 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)c1 1472119344 OZVGATGDOYEUCW-UHOSZYNNSA-N 425.510 2.293 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1492722429 BTVRCYBFHHHAQN-QFIPXVFZSA-N 427.553 2.457 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1502468769 FHYXRLDAADCAIV-WMZOPIPTSA-N 446.602 2.088 30 10 IEEE CCSCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503346194 MPVJCSAACFHESR-UHFFFAOYSA-N 435.561 2.472 30 10 IEEE COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)N(C)C)c1 1504323832 DTUALIOEPHKQEW-APWZRJJASA-N 427.553 2.466 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1504611271 FVEGBHAIAUICBZ-MRXNPFEDSA-N 432.500 2.064 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1504660638 SSESSBJILCFIKH-GOSISDBHSA-N 449.515 2.352 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOCC(F)F)CCN1C1CC1 1505323450 FZNWCGXKKAGASQ-GOSISDBHSA-N 431.491 2.112 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](OC)C1CC1 1507638329 ZEKCUQMTMKXFSU-IBGZPJMESA-N 425.920 2.359 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)NCCC 1507709443 UPCURTWXJRNTPL-UHFFFAOYSA-N 434.338 2.320 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCC[C@H](C)C1 1507713364 HJUFNGRFEDNWLT-RXVVDRJESA-N 427.597 2.346 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)[C@@H](C)CC)CC1 1507729899 KRYUYJPDJLJPMT-UGKGYDQZSA-N 438.576 2.276 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507837369 NHXWWZZYSMZDDS-HZSPNIEDSA-N 439.504 2.116 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1508075361 QGVRNNUEUGQKBS-KRWDZBQOSA-N 430.528 2.390 30 10 IEEE CC1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1512352829 GEMWYSHFJPUCQV-HXUWFJFHSA-N 428.512 2.457 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCOc2ccc(F)cc2)cn1 1517376581 RUENWVGEPVJPFT-IBGZPJMESA-N 425.468 2.406 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1517588640 AIXWLPBUYBRSJB-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE COC[C@@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518736046 ZCOZXMSMOMMCFD-QYZOEREBSA-N 426.496 2.242 30 10 IEEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1520247503 WNGSHEDOUYJYKY-YGKKUGEXSA-N 446.577 2.378 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CC#N)cc3)CC2)cc1 1529869681 BXYQDDALCYBCDE-UHFFFAOYSA-N 427.526 2.478 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1530219585 HLLIPERTVNRBKZ-IBGZPJMESA-N 443.548 2.411 30 10 IEEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2ccsc2C#N)CC1 1532371423 ANTKFTLSDYJWSI-UHFFFAOYSA-N 447.586 2.095 30 10 IEEE CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1 1537827104 KPDYHLQBFXZABU-UHFFFAOYSA-N 430.486 2.481 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)CC)c1 1539044218 ZOEXMOXYQZLNOH-FDDCHVKYSA-N 425.533 2.389 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539230206 DBELUNYJHYKYJY-OALUTQOASA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(CC)C1 1539242313 RNRURFOFFPQEHU-MRXNPFEDSA-N 429.366 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1539484232 IIIICSBVTJMSML-MOPGFXCFSA-N 426.609 2.317 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1539526359 NSGFEXLZROHOPJ-IBGZPJMESA-N 438.605 2.309 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1540870192 GWJBNHIVMHBNTM-UHFFFAOYSA-N 437.548 2.406 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1540908893 QORZYLOAPZGTEA-NVXWUHKLSA-N 440.591 2.443 30 10 IEEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541427857 CFYXACZJVCOTQA-IBGZPJMESA-N 430.578 2.266 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1541806805 SVJDXHCALLALTP-QMHKHESXSA-N 433.516 2.478 30 10 IEEE CC[C@@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1546678553 SAYQDKKSYLBHOK-SGRLSNSRSA-N 438.536 2.045 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1555269346 MHFJVCZOMKJIEX-HXUWFJFHSA-N 430.528 2.348 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCC[C@H]1C 1555556014 RIULIMDWMBTPMY-VQIMIIECSA-N 447.561 2.140 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1555808314 XNPPBGFAEHVTFJ-GOSISDBHSA-N 441.916 2.102 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1555987507 ILCJJENUYBDXQR-QGZVFWFLSA-N 447.465 2.170 30 10 IEEE C#CCN(CC(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1)C(=O)OC(C)(C)C 1557346855 HGFQTCVQPDMKTO-UHFFFAOYSA-N 449.573 2.312 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2=O 1585090570 JFNQWMMWXHMQOG-UHFFFAOYSA-N 437.544 2.140 30 10 IEEE N#Cc1ccc(CSCC(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1586101094 QWYWWBGUMKFOHO-UHFFFAOYSA-N 433.331 2.495 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cs1)C(N)=O 1587500905 KSEAFUYPCRRXHY-CXAGYDPISA-N 447.561 2.200 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CCC(N)=O)CC1 1587754993 QCLBYNDYXRYWBB-UHFFFAOYSA-N 426.521 2.291 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587894245 QWCQCTOXLHWDAM-XUZZJYLKSA-N 445.608 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cccn(CC)c1=O 1588099661 UZPJLJTZAGIZFX-UHFFFAOYSA-N 431.496 2.265 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(Br)n2)CC1 1588800271 CAMWRKJHLIUXCQ-UHFFFAOYSA-N 426.322 2.234 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589059747 JCAGLSYWAZXIKT-IBGZPJMESA-N 444.649 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1589208203 XLWQZGXZZYIBKV-DCLXLUIPSA-N 442.608 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1589544784 JZRTWFLHANCELP-DXIQSLLYSA-N 444.624 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCCS(C)(=O)=O 1589559154 NQPLZSPZMVMIRO-QUCCMNQESA-N 433.578 2.116 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOCCS(C)(=O)=O)CC1 1594218275 AXYMPTKXYOGFOR-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNS(C)(=O)=O)CC1 1594430811 PYCCDIIXSGEMMB-UHFFFAOYSA-N 433.578 2.426 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1594812653 IGTNPGGLRRGQJD-IAGOWNOFSA-N 432.525 2.459 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCC(=O)N(C)C)C1 1595729102 JCWVLCWMFMYFOR-PXNSSMCTSA-N 441.532 2.440 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3c(nc2O)CCC[C@@H]3O)c1 1596359742 WTQRARCWKXJLBB-LNUHTHKGSA-N 444.513 2.222 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1596865511 AEQLUHBUTXPCRU-ZOCZFRKYSA-N 433.578 2.482 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1612495773 BYSHRWTVCRIGFG-RXVVDRJESA-N 445.593 2.095 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1612919171 PPJLLIOMYBPVKH-YGCDDZCOSA-N 436.516 2.475 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1618037806 NDPISQJDRJMHAL-UHFFFAOYSA-N 438.504 2.238 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)n(-c2ccc(F)cc2)c1C 1620419929 NBGFYGJYZGSGQP-CQSZACIVSA-N 447.536 2.009 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)C(=O)OC 1629617428 PBRIDKYMDMRCOA-LJQANCHMSA-N 429.436 2.429 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1631971738 NVMLCGUCLKHOSG-AEFFLSMTSA-N 441.594 2.387 30 10 IEEE C=CCn1cc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)nn1 1633287918 KZYASNCZEVONRD-UHFFFAOYSA-N 446.577 2.025 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)Cn4cc(Br)cn4)CC3)n[nH]2)cc1 1639984441 AADNPVBUSFONEJ-UHFFFAOYSA-N 440.305 2.256 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C3(C)OCCO3)cc2)s1 1643352643 XUQXHRSPZVWOHE-UHFFFAOYSA-N 436.555 2.291 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)CC1 1667500364 NYARVFPBKPCWOQ-UHFFFAOYSA-N 443.529 2.108 30 10 IEEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1667569844 GKOHCJRGKKKZRF-HNNXBMFYSA-N 426.539 2.181 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)n1 1668984378 WWWNKZWZQFSTOH-UHFFFAOYSA-N 442.545 2.132 30 10 IEEE N#C[C@]12CN(C(=O)N[C@@H]3CSc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1682193909 JTVKLKDBLXPJBI-OWRWGESLSA-N 442.360 2.176 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1689938544 OWSBUIZNDVSDJL-NRFANRHFSA-N 434.544 2.301 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCC 1689965821 DQJAWXUPOXVTQC-GOSISDBHSA-N 434.585 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c(c1)OCCO2 1690000091 RIPFXTINFZSQKT-UHFFFAOYSA-N 442.479 2.012 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)C 1690107922 IDRDMDNPDILBTB-OKZBNKHCSA-N 434.585 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C2CC(C(C)(C)C)C2)CC1 1690134757 DPDYEGQDRQHLLP-UHFFFAOYSA-N 440.592 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 1690140170 ORYIMLDHFBGTAI-UHFFFAOYSA-N 446.559 2.306 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1690460562 KJVXAOKYNUIXBU-MRXNPFEDSA-N 445.593 2.296 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1690485654 ZFSZZLOSKYPEKG-KRWDZBQOSA-N 448.568 2.254 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1690609141 FBZXMBFKVBDWBM-JOCHJYFZSA-N 429.521 2.034 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC)c2)C1 1690699534 GJIOJBAIKAIPTB-AZUAARDMSA-N 446.573 2.409 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)c1 1692974136 GQTMJEARNNVOQN-UHFFFAOYSA-N 446.577 2.153 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1695606192 GZVRAQAJTYEKHH-GOSISDBHSA-N 448.579 2.002 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1696494008 WSAVODNZCJPRFE-UHFFFAOYSA-N 432.550 2.357 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1)[C@H]1CCOC1 1696647205 MMYNGWCXEIFEQO-IBGZPJMESA-N 440.548 2.065 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H]([C@H]4CCOC4)C3)n2CC(=O)NCC(F)F)cc1 1698485221 AFUWZKRFVFYZMQ-IRXDYDNUSA-N 430.459 2.061 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1698494564 WVXXBVHCGNHOLP-ZWKOTPCHSA-N 432.475 2.030 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705512622 JDXBZTZCWTZSJP-HXUWFJFHSA-N 445.527 2.387 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705543738 QRJIVPAPCRGPKL-NRFANRHFSA-N 434.544 2.301 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)N(C)C 1705575913 AJRJLQFRKNXMMQ-UHFFFAOYSA-N 432.297 2.398 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCS(C)(=O)=O 1705608430 QZSNFSBLKKTMCH-UHFFFAOYSA-N 429.315 2.351 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCO1 1705628749 ODCZUUJMGXSZBA-HXUWFJFHSA-N 439.564 2.107 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccnc(OC(F)F)c2)CC1 1705637971 SRVPWJXBTNMZLJ-UHFFFAOYSA-N 425.443 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705652677 IPOHHJAVCNOETB-PZJWPPBQSA-N 442.608 2.216 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705665733 CAJUKDSKWRZKPZ-ZWKOTPCHSA-N 444.513 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1705700509 UROUKRKLCGIWSO-OTWHNJEPSA-N 433.578 2.291 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705754282 URJOUXILKIFDKT-IPELMVKDSA-N 436.988 2.261 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 1705852681 AMCJYQIPJHXEPI-UHFFFAOYSA-N 442.545 2.316 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1705917789 ZKXPOWOUWZWLSM-QRVBRYPASA-N 437.610 2.387 30 10 IEEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706201981 HSUPZRZBRFELLN-UHFFFAOYSA-N 428.500 2.181 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1708338791 CJOXKCOIZDFSEK-WQFQCULDSA-N 429.521 2.488 30 10 IEEE COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1711850826 HTHLVQNQPJXHMT-SFHVURJKSA-N 440.529 2.428 30 10 IEEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712620044 ZQFPJCZWMNOTFS-QFIPXVFZSA-N 448.527 2.376 30 10 IEEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1 1712711939 DWVMERMBRHQZFQ-UHFFFAOYSA-N 444.561 2.048 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1722277857 BIKXCLVZMLDRCQ-DLBZAZTESA-N 438.557 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N2CCOCC2)CC1 1722286341 GRTHTXITJVMFKU-KRWDZBQOSA-N 425.533 2.285 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722382231 GPZPMDZHOZQIDD-INIZCTEOSA-N 437.491 2.405 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(NC(=O)OC)c2)CC1 1722435305 JZBUKNBFSALNSB-UHFFFAOYSA-N 433.516 2.265 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2Cc2c(CC)nn(C)c2OC)CC1 1722435713 SGYHIXOGSGZIEZ-UHFFFAOYSA-N 433.560 2.362 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722535013 WJXPKFOTGPWFSW-JOCHJYFZSA-N 449.559 2.183 30 10 IEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1722595681 XYJQFTJEAKHHAT-HXUWFJFHSA-N 449.559 2.334 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1722685181 VTOWFDXAAIOJED-IBGZPJMESA-N 440.523 2.396 30 10 IEEE C=CCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722691615 WOGXBEOMIFRNIV-KNQAVFIVSA-N 430.553 2.223 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 1722692288 YTJVSSTXIOCXBZ-AWEZNQCLSA-N 448.980 2.105 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722697198 XJIJIHOBFSPXJW-OAHLLOKOSA-N 428.924 2.102 30 10 IEEE CC(C)(C)O[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1723005602 AFKBGNDVONRYIF-MXLIYFDZSA-N 428.537 2.466 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)N2CCOCC2)CCOC1 1723675335 BLVJIJACYVKNCC-WMZHIEFXSA-N 446.596 2.169 30 10 IEEE C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N)N(C)C 1723854516 RVCRLMOWQKLYPN-BRWVUGGUSA-N 435.573 2.275 30 10 IEEE COc1ccccc1-c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1730270516 WVDIPBOWSRQQLL-MRXNPFEDSA-N 427.486 2.090 30 10 IEEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1730928157 AIUQOWPATZHFKI-OAQYLSRUSA-N 440.548 2.381 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@@H]1CCOC1 1740551778 LVZRIWRNOPYTFE-UYAOXDASSA-N 439.564 2.106 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1740624414 GSDBBYPBZYTZBK-OAHLLOKOSA-N 446.479 2.415 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740630375 BUOBJCVMNJBZFL-FDDCHVKYSA-N 445.564 2.306 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1740630579 CJRGIQGHODHVNH-RUZDIDTESA-N 449.555 2.190 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1740640223 YVPDJTSGTAOOBA-OAQYLSRUSA-N 444.539 2.479 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2cnn(C)c2)CC1 1740699331 BVMWQPJYCBKDEV-UHFFFAOYSA-N 433.560 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnn(C)c2C)CC1 1740707281 WVSTYOZZWRHWTG-UHFFFAOYSA-N 449.534 2.064 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(c2ccccc2)CC1 1740710097 RFGDLXYXPLHZLY-UHFFFAOYSA-N 439.585 2.369 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740752191 UNQNMKNYDQSUHP-WOJBJXKFSA-N 431.581 2.458 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740850343 HSZJBNCFDHFLPI-HSZRJFAPSA-N 430.597 2.304 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1C 1740964909 XLAAWZADOJQZDA-UHFFFAOYSA-N 443.939 2.491 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1COCCO1 1741191079 WBBGLCOMIPSUQB-KRWDZBQOSA-N 426.521 2.207 30 10 IEEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1741239062 RJHSFKHYHPNKGL-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[C@@H]1CCOC1 1741683764 MHNONTGPDJYXBC-XLIONFOSSA-N 438.532 2.292 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1cccc2[nH]ccc12 1741918598 ONPTYCMGBFVLIU-HNNXBMFYSA-N 441.561 2.352 30 10 IEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)C1 1742935389 BDOPPRWZGIPZKA-HMFYCAOWSA-N 431.560 2.324 30 10 IEEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1746128106 DTDILJIRNARWNO-UHFFFAOYSA-N 449.563 2.216 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1747863017 LTSAYDUQMDEABJ-DSGGYQJVSA-N 440.479 2.083 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)c1 1748693149 ZDPBKAJILPXVRA-KRWDZBQOSA-N 430.468 2.351 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1748962211 CGIASXHOIVAVRV-OAHLLOKOSA-N 428.924 2.456 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 1748978234 IUENMXWNAVBGQK-PGRDOPGGSA-N 433.622 2.217 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCN2CC)CC1 1748979801 NLPXHKWDFDLKRF-HXUWFJFHSA-N 438.576 2.202 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749039258 RPABHYSLDNMMEF-GOSISDBHSA-N 432.594 2.224 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749278137 SKQRSCJCHJQFPC-ZDUSSCGKSA-N 438.941 2.299 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1)C1CC1 1749507047 XQYZPOHIEPIPGU-UHFFFAOYSA-N 425.537 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749738733 WBCAEWRYQSKTRG-ROUUACIJSA-N 434.562 2.114 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1749744405 JOIZUOZRTQESIH-WBVHZDCISA-N 443.639 2.060 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1760147913 HYBIBWFNISHKGV-SFHVURJKSA-N 441.532 2.489 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccnc1C 1760170538 HBKATWWUMAKKSD-UHFFFAOYSA-N 428.500 2.085 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760192607 KOJZAXJZGMPARZ-IPMKNSEASA-N 438.594 2.208 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(CC(C)C)C1 1760195400 BBEPLOPUHJVENU-QPPBQGQZSA-N 427.593 2.371 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCc1nc(C)cs1 1760205590 FKXMWBPQXNZVMW-KRWDZBQOSA-N 431.587 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1760220510 MGMOSEUXLHYZCU-UHFFFAOYSA-N 442.523 2.253 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1760253799 JRIGJKLJZIYLNQ-UHFFFAOYSA-N 440.567 2.355 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Cl)ccc2OC)CC1 1760257685 DZHMDOAXCXUCRL-UHFFFAOYSA-N 425.924 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2ccc(F)c(F)c2)CC1 1760273269 NGZYOFNOCPDYMP-UHFFFAOYSA-N 447.486 2.138 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760316566 UILCINRMMNDBAP-ZSXPUABSSA-N 444.580 2.160 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1760495193 HPKDSDZVSADWAE-SFHVURJKSA-N 444.557 2.452 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](COC)C1 1760516828 WIOPSVRXIGOTKR-MAUKXSAKSA-N 449.939 2.225 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760519502 GPOVSJYJBZJJEA-PZJWPPBQSA-N 438.576 2.103 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@](C)(CC)O2)C1 1760535934 ZUMXWWMGPWQYGQ-XLSPSMHOSA-N 441.598 2.017 30 10 IEEE CC(C)NC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1761266638 FIFJRWBPZDYPJP-XUTLUUPISA-N 427.553 2.039 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)CN2CCOCC2)CCOC1 1761437652 PHMBWEUFJMQPMW-DXIQSLLYSA-N 434.585 2.025 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCOC1 1767445962 BQAATOFQEJIBBF-DZGCQCFKSA-N 435.326 2.201 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1767793749 GEZYMIPICIUTBI-IBGZPJMESA-N 433.520 2.003 30 10 IEEE COCc1nocc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1770873318 BSYLVVGGUNNOJE-KBXCAEBGSA-N 442.451 2.469 30 10 IEEE COCCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1771236666 LJNMLEZKXGQGMO-FQEVSTJZSA-N 434.500 2.066 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(F)(F)F)CC1 1771533904 DMKSYAGOIFLBBB-HNNXBMFYSA-N 448.453 2.165 30 10 IEEE CC(C)Cc1nc(-c2ccnc(N3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)n2)no1 1852144371 FLTFANLAMOBDJG-UHFFFAOYSA-N 431.500 2.488 30 10 IEEE CCOC(=O)c1cc(C(=O)c2ccccc2C(=O)NCCN2CCC(C#N)CC2)cn1C 1852866741 FTWSCOMNWRWKHP-UHFFFAOYSA-N 436.512 2.398 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)COCc3nc4ccccc4s3)CC2)nc1 1853019218 ARBAMGWZEQNJTE-UHFFFAOYSA-N 437.525 2.445 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)ccc1O 1862755028 VKMFYICFDNEJKS-LJQANCHMSA-N 441.440 2.449 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(OC)c(OC)c2)cc2c(NCCNC(C)=O)ncnc21 1873634000 PJUKVGJBEZJNNB-UHFFFAOYSA-N 438.488 2.435 30 10 IEEE Cc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890175147 LCKHXYIJLKSXGF-UHFFFAOYSA-N 427.589 2.411 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c1 1891004026 WQBJGDLEZZDRRY-UHFFFAOYSA-N 428.431 2.184 30 10 IEEE C[C@H](C(=O)N1CCC(Oc2ncccc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892148603 KYJUICLCDCCOHO-MRXNPFEDSA-N 428.514 2.178 30 10 IEEE C=CCN(CC(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1895864602 NNCSIPDGEBXIAA-JKSUJKDBSA-N 427.542 2.144 30 10 IEEE C=CCN(CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)C(=O)OC(C)(C)C 1909081513 JPPQHVJJCHVRJQ-CABCVRRESA-N 441.525 2.378 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2011682392 VQCFJSVCTBIPHR-HOTGVXAUSA-N 439.553 2.192 30 10 IEEE C#CC[C@H]1CN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCO1 2019034581 ZAUBSQHWOYTNNW-RDPSFJRHSA-N 427.545 2.407 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622169 WTTQTSKLUMTAGZ-ALYAQQCSSA-N 436.358 2.419 30 10 IEEE C[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401330 HSCGKDFBDUFHDI-LBPRGKRZSA-N 440.375 2.139 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2248402754 ANTPEGQKCGZGDD-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255696818 ZLDGWBGBTLNXHN-UHFFFAOYSA-N 434.342 2.257 30 10 IEEE C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255753903 XLXOIARZABKEKR-QGZVFWFLSA-N 445.394 2.180 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255849515 PBYVMWBHXTVENY-UHFFFAOYSA-N 432.286 2.001 30 10 IEEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256621908 AHDMOEHPPQFJCT-KRWDZBQOSA-N 434.342 2.372 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267108099 SQGYASYWBSDZTO-HOTGVXAUSA-N 446.353 2.086 30 10 IEEE CC[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267128822 ZZKCPSKIMSZTEE-IBGZPJMESA-N 438.381 2.456 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129482 BMXFCRJKXKCFFG-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267139133 BPLWKWPSTWVZLT-IIAWOOMASA-N 446.357 2.084 30 10 IEEE Cc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268632168 HBRLAFTUYXQTRY-INIZCTEOSA-N 447.341 2.001 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272636480 LSCQJYRXIAGPPB-NPMXOYFQSA-N 443.353 2.368 30 10 IEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)c1ccccc1)c1ccc(O)cc1 2327754003 MMVXIKIRVKWRMI-KRWDZBQOSA-N 434.456 2.111 30 10 IEEE COc1cccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1 2328465499 WGNXKBVESHXEQE-UHFFFAOYSA-N 426.458 2.245 30 10 IEEE CC(C)(C#C[C@@H](N)[C@@H](O)c1cc(Br)c(Br)s1)S(C)(=O)=O 2365212416 RNNQWQRHRUKZRL-PSASIEDQSA-N 445.198 2.460 30 10 IEEE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39769218 JJXYFBIDERDIHP-OQLLNIDSSA-N 446.554 2.324 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)N[C@@H](C)c2ccccc2)n[nH]1 59887850 NYVRDWPQWOSQPV-PUFAJPFRSA-N 442.549 2.026 30 10 IEEE COc1c(Br)cc(/C=N/Nc2nnc(C)c(=O)[nH]2)c(OC)c1Br 169887961 OOPFDHUMJHHWMG-FZSIALSZSA-N 447.087 2.462 30 10 IEEE CCOC(=O)C1CCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3[C@@H]2CC=CCC2)CC1 256032359 CEUYQNANZWNWGD-FVQBIDKESA-N 425.489 2.493 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 426358485 AHPGGLGMNIHAPE-IBGZPJMESA-N 444.944 2.323 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1 437217924 RKLOHCZJILNDCB-UHFFFAOYSA-N 441.534 2.407 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1Cl 441374093 GKAARJUJHHWQLZ-UHFFFAOYSA-N 431.861 2.439 30 10 IEEE N#Cc1ccc(CS(=O)(=O)c2nnc(N3CCOCC3)n2Cc2ccccc2)cc1F 447503111 YUXRUAXSCCKGDR-UHFFFAOYSA-N 441.488 2.148 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@@H]2CCCO2)c1=O 478753121 JRPQFEFIJVURQT-IBGZPJMESA-N 448.548 2.252 30 10 IEEE CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 478845886 PHHKXPHNSJONNJ-HNNXBMFYSA-N 439.562 2.347 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(C(F)(F)F)cc3)n(C)c2=O)n1 479377027 AKBCPANYQVKIOR-UHFFFAOYSA-N 445.422 2.255 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 480231097 WEVQXYJICZEVRT-CYBMUJFWSA-N 426.473 2.430 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 508493162 KZAAQQHCDFOBDH-KRWDZBQOSA-N 435.536 2.238 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508809333 LADLZSRHURDEJF-UHFFFAOYSA-N 448.531 2.389 30 10 IEEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 548945384 RFIFTANHLVUDMG-UHFFFAOYSA-N 446.555 2.265 30 10 IEEE N#Cc1ccc(CSc2nnc(NC(=O)NC[C@H](CO)c3cccnc3)s2)cc1 554149790 AROKBRJOFBIBET-MRXNPFEDSA-N 426.527 2.995 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 555247269 AQXDGWQXXIWLRI-PKOBYXMFSA-N 449.552 2.320 30 10 IEEE CC1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCN(c2ccc(Cl)cc2C#N)CC1 557664462 SNXHLXCFGWCQCQ-NRFANRHFSA-N 429.908 2.019 30 10 IEEE N#Cc1ccncc1N1CCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 573633861 BEMHPEDCGQHCQJ-KRWDZBQOSA-N 429.402 2.426 30 10 IEEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 574488181 PUFILUKXMZYWJF-FQEVSTJZSA-N 434.544 2.396 30 10 IEEE COc1cc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)ccc1C#N 582095683 DIUHDHFPDXTVMK-UHFFFAOYSA-N 442.541 2.492 30 10 IEEE O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)NCCOCC(F)(F)C(F)F)C1 584250008 MPCWGWWVSCNDLG-JTQLQIEISA-N 425.345 2.394 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccccc1 726575474 VCZTZCBCYFQETJ-OAHLLOKOSA-N 434.565 2.427 30 10 IEEE O=C(Nc1ccc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)cc1)C(F)(F)F 729663420 ZCMWSMSLEGVEOM-UHFFFAOYSA-N 432.277 2.444 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)cn1 732795400 FSQUJYNOTCSDCS-IBGZPJMESA-N 448.548 2.252 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCN(c4ccccc4C#N)CC3)C2=O)cc1 740745709 KHOWARWOOQSYBA-VWLOTQADSA-N 445.523 2.419 30 10 IEEE C[C@@]1(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CCCN(C(=O)c2ccccc2)C1 744008028 ZJTBISIGWGEHRN-JOCHJYFZSA-N 425.510 2.447 30 10 IEEE COC(=O)[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 751623859 SOOBSVOIQZGDCA-FQEVSTJZSA-N 442.493 2.416 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)ccc21 759409456 LUKGGFMBSUBKAB-CQSZACIVSA-N 440.525 2.442 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763381186 JCLMVQGFSZBMMP-UHFFFAOYSA-N 430.877 2.295 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCCOc2cccc(C#N)c2)[C@@H](C)O)cc1C 763843998 WRBYJQWPWUIXII-DYESRHJHSA-N 446.525 2.215 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 767209556 PYYZPLLEZCVZAP-CQSZACIVSA-N 438.431 2.437 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 768536449 XJHCHRZNMIMDGT-OAHLLOKOSA-N 435.546 2.086 30 10 IEEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782883043 GEALIEHJZGARDB-CQSZACIVSA-N 431.411 2.476 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCCn2ccnn2)C1=O)NC1CC1 784125208 NPFGYJCRVPZIMR-IBGZPJMESA-N 438.557 2.457 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)n1 788368896 AZJJAQUSALYXJE-NRFANRHFSA-N 447.898 2.182 30 10 IEEE C[C@@H]1COCC[C@H]1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 795174641 BUQQHTQAVGXHGT-AOIWGVFYSA-N 432.590 2.359 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2CC(F)(F)F)c(C(F)(F)F)c1 813063729 ZQWVLBRDQXQWHF-NSHDSACASA-N 429.342 2.409 30 10 IEEE C[C@@H]1CCC[C@@H](CNC(=O)C2CC3(C2)C[C@@H](NC(=O)C#CC2CC2)CCS3(=O)=O)C1 952876179 DUVBHHDVMMIWEQ-SRPVHYEMSA-N 434.602 2.185 30 10 IEEE CC(=NNc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccccc1 1083967269 BQJOYWJQUIQAAB-UHFFFAOYSA-N 435.469 2.255 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1132733488 ZOZTVRCAEAHNGE-UHFFFAOYSA-N 431.489 2.033 30 10 IEEE C[C@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)OCCc2ccccc21 1133091194 JAABBIBURINSQV-HYBUGGRVSA-N 432.480 2.368 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 1154157552 DEYWFALVSDNMHG-XFNCPJSQSA-N 430.958 2.088 30 10 IEEE CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1159151139 OOFSDIRYAHRACL-LMMKCTJWSA-N 432.590 2.225 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1 1164646533 JQMLMQAGGWNHSR-UHFFFAOYSA-N 425.242 2.489 30 10 IEEE N#Cc1cccnc1NCc1cccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)c1 1178027367 SRMHDDLOAJXTDX-UHFFFAOYSA-N 449.536 2.415 30 10 IEEE Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)no1 1178460645 OHZACECNFPLNBE-ZBFHGGJFSA-N 428.518 2.413 30 10 IEEE CCCC[C@H]1NC(=O)N(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1=O 1189416684 WYWQMNQBBJXFKU-CRAIPNDOSA-N 441.532 2.467 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Br)cc1 1190716392 SOZFQZUXTRYCCZ-OAHLLOKOSA-N 434.315 2.292 30 10 IEEE CC(C)O[C@@]1(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCOC1 1255701288 CRXNWLNSMYFDAX-JOCHJYFZSA-N 426.521 2.142 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286355820 AYSYSFYLAHWNOY-INIZCTEOSA-N 449.602 2.087 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1286395291 MOQBCSNSLGXPLD-SFHVURJKSA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@@H](C)C1 1286402477 XURNQIGGFNBVGD-ZWKOTPCHSA-N 426.542 2.237 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCNC(C)=O)CC1 1286471170 HGASWPJXKLBQNN-QGZVFWFLSA-N 444.967 2.353 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1286503892 GHEZKMRUDDOMDI-OALUTQOASA-N 427.574 2.464 30 10 IEEE N#CCc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 1288255232 BDEKXYPRNHZNQE-UHFFFAOYSA-N 430.394 2.459 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1298344856 YEUGVAFPTOEGOP-AVRDEDQJSA-N 426.496 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1300305120 XBNJIBHVLOYRSB-GFJLWIRXSA-N 431.581 2.248 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300364998 PMZLGCUFONOQKZ-NRFANRHFSA-N 442.608 2.110 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(=O)NCC)cc1 1300467379 GHVCGERYZSUFBT-UHFFFAOYSA-N 427.512 2.384 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1nc2cc(OC)ccc2n1C 1300541326 RNTAYYFBVWAURP-UHFFFAOYSA-N 425.496 2.280 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccsc2)CC1 1300711648 FZWMXECYMDJRPH-UHFFFAOYSA-N 449.540 2.001 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCC2)C1 1301534891 FPCSZQDDTPEWHQ-KRWDZBQOSA-N 426.521 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1301566257 OFFITDOKLUFNOH-XQFWAAQXSA-N 428.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](OC)C(C)(C)C1 1301576193 BEBOJLAODZWTRJ-HNNXBMFYSA-N 439.969 2.456 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1Cc1ccc(C#N)o1 1302095182 SQFQJFZEWINDOL-SJORKVTESA-N 444.536 2.208 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(c3cc(C#N)c(Br)cn3)C2)nn1 1307195209 MUSMAHJHBWJCAB-UHFFFAOYSA-N 434.298 2.393 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=Cc3ccc(OC)cc3OC2)c1 1351602078 PBRVWSJSJMHLBD-UHFFFAOYSA-N 432.476 2.344 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C1CC1 1359002616 GWDDRLVSPWPOCW-QGZVFWFLSA-N 444.605 2.138 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(-n2cncn2)c1 1359022614 GVXLEOMSJUYGGO-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NCCC)CC1 1359033194 SUTIIQCLKCRGOA-UHFFFAOYSA-N 431.544 2.165 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359125082 OWPJPKAFDKRFOV-JOCHJYFZSA-N 443.552 2.020 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC(F)(F)F)CC1 1359174150 WXUQUUZDXPBOTE-GFCCVEGCSA-N 425.477 2.217 30 10 IEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359207080 YKQODAGAWOEUQW-HMXCVIKNSA-N 430.597 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359294279 PLEYLMUURONJDL-QVKFZJNVSA-N 431.924 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359326628 GBQHZUPCQJHYOF-YZLZLFLDSA-N 426.583 2.165 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CC1 1455939046 AKMAWKUZYCUZNH-UHFFFAOYSA-N 427.526 2.323 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@H]2NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 1460449093 FQZUJMBBIGIKGD-XUVXKRRUSA-N 426.590 2.191 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](CO)c2ccc(F)cc2F)CC1 1460499831 DPXIYCHEFQFLSX-LEWJYISDSA-N 432.446 2.136 30 10 IEEE CN1C[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)CC1=O 1463899090 UORBOFPYWHWKBC-MRXNPFEDSA-N 439.434 2.251 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)c1 1467836322 RAQXJYBTRPXJEK-SUNYJGFJSA-N 440.363 2.482 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 1467855707 QHKOUWIITFMWQG-KURKYZTESA-N 437.537 2.189 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1471431813 MZZQRUDOGVASEX-QGZVFWFLSA-N 437.562 2.468 30 10 IEEE COC(=O)N1CCC([C@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1475211375 DSRQAFWBWLFIMM-NSHDSACASA-N 430.324 2.466 30 10 IEEE Cc1ccc(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)c(=O)n1C 1492203570 HZTSUCPXUKGQPL-UHFFFAOYSA-N 446.559 2.224 30 10 IEEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCC(F)F)CCO2 1494669879 UBIMDNSVEHJPKH-YCRPNKLZSA-N 433.459 2.483 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C 1502262801 DUGCBDZVGBMRHA-DLBZAZTESA-N 449.563 2.317 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCSC)C1 1502471636 DYEIOOQLPAZOTJ-SFHVURJKSA-N 448.618 2.478 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1505052934 ULYKTCFTBLBBNU-UHFFFAOYSA-N 427.505 2.151 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1nc2cc(OC)ccc2n1C 1507516993 OFNLEWXNSFYROZ-HZPDHXFCSA-N 426.521 2.404 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CC 1507530322 XKWTYDHQQBQESD-DLBZAZTESA-N 429.594 2.180 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCc2nccn2C1 1507603933 VKIBSARSVZEBCJ-MRXNPFEDSA-N 436.516 2.499 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1C 1507605115 PJSUDWBSDNRRRZ-DOTOQJQBSA-N 430.578 2.289 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)CCCN2C)[C@H]1CCS(=O)(=O)C1 1507622169 GSHZSOCIWMRIES-FQEVSTJZSA-N 441.601 2.459 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC(O)CC1 1507687968 WHAOYVBBEPWTOU-UHFFFAOYSA-N 433.560 2.143 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COc1ccccc1OC 1507690692 VHGNXKDKXBUBMI-QZTJIDSGSA-N 446.573 2.363 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 1507718486 DRNBWILRAWQWEY-JPYJTQIMSA-N 443.523 2.118 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1509948451 RGGSCBAGDSOIPV-VSZNYVQBSA-N 430.532 2.214 30 10 IEEE COc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1518304870 BNAAWQRCEFXXOD-XJKSGUPXSA-N 435.431 2.169 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1521114490 FDSOAUHIJLCGIL-MOPGFXCFSA-N 440.523 2.395 30 10 IEEE CN(CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1525762646 SINWZFFQGOULLP-IBGZPJMESA-N 428.470 2.281 30 10 IEEE Cn1c(=O)c2cc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)sc2n(C)c1=O 1527509809 DBHCRIFCOQUGHO-LBPRGKRZSA-N 433.287 2.056 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cs1)C(N)=O 1536939314 QBCVLBGNVUZMPQ-MRXNPFEDSA-N 444.586 2.093 30 10 IEEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCO1 1538844586 SUEBAXNJKLJYBE-QFIPXVFZSA-N 427.526 2.382 30 10 IEEE N#C[C@]12CN(C(=O)CCSc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1539119577 XGHFGYFOSURIOB-BLLLJJGKSA-N 429.361 2.328 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1539172040 RVVFAAQBKLCZRA-UHFFFAOYSA-N 438.442 2.384 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 1539179990 UZMKZWUVHYPAIE-HNNXBMFYSA-N 442.463 2.391 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1539203948 WLFLGHSXNMSQNW-SFHVURJKSA-N 440.573 2.387 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539221602 QKMLBJPYJQINQA-KRWDZBQOSA-N 431.562 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1539343485 KXEVQEGQFYCXSL-KRWDZBQOSA-N 445.589 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1cccs1 1539409147 PUEAPPVKYAFSFH-NRFANRHFSA-N 443.529 2.061 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539592318 CBUWAOKLOIMOME-CQSZACIVSA-N 434.342 2.337 30 10 IEEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O)C1CC1 1540116584 XMGRNFHZQDSIBG-QZTJIDSGSA-N 437.610 2.387 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CCO1 1541215114 CHLWVUHYEVKIHB-KRWDZBQOSA-N 428.493 2.398 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CCO)C3CCCC3)nnc12 1559038262 BNRQNLVRCFGGKF-KRWDZBQOSA-N 441.557 2.380 30 10 IEEE Cc1nc(C#N)n(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1C 1559446676 KCKWBJHUOKBMLV-CXUHLZMHSA-N 427.461 2.363 30 10 IEEE COC[C@]1(C(=O)OC)CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1559996987 KNIXHSZAPYSECL-QFIPXVFZSA-N 428.489 2.210 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)cc1 1562265113 RHRMVFVODRBFJR-PKOBYXMFSA-N 430.505 2.072 30 10 IEEE Cc1c(Br)cnc(O)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1567387486 BERSJQIOZLDNEP-PWSUYJOCSA-N 425.283 2.347 30 10 IEEE CCOc1ccccc1[C@@H](CC(=O)NCCn1cnc(C#N)n1)NC(=O)OC(C)(C)C 1568735786 IQNKVZIZQSJQHK-MRXNPFEDSA-N 428.493 2.321 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 1583069244 WFBCFHKLJARONV-OYHNWAKOSA-N 437.537 2.087 30 10 IEEE C#CCSCCNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1586534689 MNRIHVBGMJEBRE-LBPRGKRZSA-N 429.493 2.494 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1 1587403191 GIVULULDBGQHCG-MEDUHNTESA-N 427.404 2.459 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1587641043 WPNGKCKBFUNCLJ-WFXMLNOXSA-N 425.533 2.095 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1587809086 YXEJHPQSWFYLPG-OXJNMPFZSA-N 429.496 2.312 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(COC)CCC2)CC1 1588751252 JTHSZHOTPRBOTM-XMMPIXPASA-N 445.608 2.281 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCOC(C)C)CC1 1588913886 SIVFISHBRJDQIR-UHFFFAOYSA-N 426.565 2.455 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCOCC2)CC1 1594181113 ISHJDSANHNWOSX-GOSISDBHSA-N 439.564 2.296 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1595184825 DACVDDNFLCGXJX-UHFFFAOYSA-N 427.534 2.196 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1cccc(O)c1 1595788688 GXRRKZWOAVCVCL-OAHLLOKOSA-N 428.518 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC1CCCC1 1595789615 YDOKYFUBSORYKR-UHFFFAOYSA-N 435.550 2.233 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1609532670 PVCXJQZMNQISOJ-LJQANCHMSA-N 433.520 2.164 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOCC1CC1 1612657582 KKEGIFBXQRBDFJ-QGZVFWFLSA-N 438.532 2.212 30 10 IEEE C[C@H]1CN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)C[C@@H](C)O1 1612873670 GYRVHCXBABKBHU-OKZBNKHCSA-N 431.585 2.140 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1613594282 FRHKQQRAAQBARM-ZIFCJYIRSA-N 431.585 2.046 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)c(OCC(C)C)c2)C1=O 1616263083 PCTWCXXQMOQRKY-UHFFFAOYSA-N 438.278 2.399 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)C1 1618634414 CJZLYSBKRPZDAN-FQEVSTJZSA-N 444.543 2.288 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1620067226 GLPWTDSJSFTGOL-HSZRJFAPSA-N 441.532 2.256 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](Cn3ccnn3)C2)n(C2CCCCC2)c1C 1620436211 QYXOABFQPVLAGT-LJQANCHMSA-N 425.537 2.413 30 10 IEEE Cc1ccc(N(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)[C@H]2C=CS(=O)(=O)C2)cc1C 1620626020 HAIHYPYQJGKKRQ-FQEVSTJZSA-N 444.553 2.285 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 1622067399 NLCMOPATYVFCAB-UHFFFAOYSA-N 433.755 2.394 30 10 IEEE C=CC1(CC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CN(C(=O)OC(C)(C)C)C1 1623984065 LBXPUYJXYOWAKU-UHFFFAOYSA-N 434.537 2.171 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1628745670 FVPCNBFBHNNTND-UHFFFAOYSA-N 428.352 2.136 30 10 IEEE C#CCN1CCC(C(=O)N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)CC1 1634862355 ADKFWWCVHRIJFE-VXKWHMMOSA-N 444.620 2.406 30 10 IEEE C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1635421747 XDEJKWBYXWRCMT-CGTJXYLNSA-N 431.537 2.220 30 10 IEEE C=CCO[C@H]1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1637184479 HGWZFEFYXYKZIH-KSFYIVLOSA-N 440.537 2.138 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1639556757 WNOIUEBPYTYSME-LJQANCHMSA-N 444.532 2.095 30 10 IEEE Cc1cc2c(NC(=O)CNS(=O)(=O)c3ccc(Br)cc3)n[nH]c2cc1C#N 1639802869 DDCJYQXSFYHBGI-UHFFFAOYSA-N 448.302 2.423 30 10 IEEE COc1cc(C(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)ccc1C#N 1642003471 GTVBRSRIDMIHHK-UHFFFAOYSA-N 447.538 2.188 30 10 IEEE C=CC[S@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 1646624690 NRMRPTGBNRUHIE-MUUNZHRXSA-N 438.527 2.222 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1647117656 TZIFSQZAAXQNIO-UHFFFAOYSA-N 434.562 2.083 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)C(F)(F)F)c1 1650792222 KMADDPDXNSVMNX-SQWLQELKSA-N 445.405 2.248 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)N(CCO)C[C@@H]2C)n(-c2ccc(F)cc2)c1C 1653938465 OZGLAXXJTRPVGE-HOTGVXAUSA-N 427.524 2.430 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)cc1 1662091008 SISDWIYMXJEQLT-LEWJYISDSA-N 428.510 2.123 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCN(C[C@H]2CCCO2)CC1 1666731784 AGIUSEVYEHRVJG-MRXNPFEDSA-N 428.352 2.196 30 10 IEEE CS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1668150152 CUECORLTMYPBBX-UHFFFAOYSA-N 430.505 2.274 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)n1 1669358969 IDZMZAVYVPTPRR-UHFFFAOYSA-N 439.925 2.406 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1 1672952016 PPPKXFWUQWGSRW-QGZVFWFLSA-N 427.505 2.207 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1683931109 WMILMXOJCBAPHS-HXUWFJFHSA-N 448.612 2.091 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1689835513 NWZNHUHDNRKVAJ-IRXDYDNUSA-N 431.562 2.080 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1689878318 DYHUWKBDNRLEGH-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1689986554 SGJFNZBUTCWBSH-KRWDZBQOSA-N 443.479 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690017176 AQENDNBOWYXEPL-DHIUTWEWSA-N 433.556 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC 1690048989 VNHLSXNYOWMZCO-MSOLQXFVSA-N 431.537 2.084 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1690083198 APWYJRWIULRODE-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCO2)n1 1690109407 QGIWQPWPCZSNBK-VQTJNVASSA-N 428.537 2.181 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1690170346 GCMCGEOSAGOSTR-MRXNPFEDSA-N 438.557 2.266 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1690563015 DASVGSOEWASXGO-UHFFFAOYSA-N 433.516 2.210 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677147 PGRREJDEOZSPHF-FDDCHVKYSA-N 449.596 2.405 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H](C)C(=O)NC 1690717799 RCGAZWZQSAYDPN-AWEZNQCLSA-N 439.969 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690719893 UYXWBKQFRZNEQS-MJGOQNOKSA-N 445.589 2.227 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690742516 STWAGKWRZRFLQR-GXZWQRSESA-N 448.593 2.252 30 10 IEEE Cc1ccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1693156220 DHJAFLKWCJPVMC-OXJNMPFZSA-N 433.509 2.010 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C 1693704999 GWWJGFQIRPIQAS-JFIYKMOQSA-N 428.562 2.333 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(=O)NC 1694605047 HNJBNKCDJGBOLO-UHFFFAOYSA-N 434.548 2.296 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705569972 IZBUPUHGYNCYLV-SFHVURJKSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H](C(CC)CC)N1CCOCC1 1705598154 CIYQTJXILINPQT-FGZHOGPDSA-N 427.593 2.382 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(=O)NCC)CCC1 1705624513 DQXLWHJERWLBEB-UHFFFAOYSA-N 439.516 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705652727 LERBCDZBRDWWAH-AQNXPRMDSA-N 427.549 2.077 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705664668 XRMVPFVEGSQVJR-SFHVURJKSA-N 441.557 2.481 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705802353 ISUDEBFDASZFKB-MBSDFSHPSA-N 446.596 2.477 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1705869105 MDMMLHGGZKVEKP-SLFFLAALSA-N 430.597 2.495 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCSCC(F)(F)F)n1 1707832985 MMINBMADAAADGR-CQSZACIVSA-N 429.472 2.164 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1712134865 OBXCLKNPHXJNPA-KKSFZXQISA-N 429.546 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1722282498 PYPMQIRYDQDTSA-QVKFZJNVSA-N 448.614 2.283 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1ccc(OC)cc1 1722382205 GCBAGXHJZQXBFT-UYAOXDASSA-N 440.569 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)OC)c1 1722401372 VIGNPSHMDVUIMD-UHFFFAOYSA-N 434.500 2.090 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1722418815 DPPVMXLZDBWBCT-IAGOWNOFSA-N 426.521 2.215 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)c2)CC1 1722435319 GJBRHNCOZYFPKM-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1722473855 IDBAWXALDAQZAP-CNNODRBYSA-N 433.622 2.437 30 10 IEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722609405 BBMGEPQJMZFONN-IUODEOHRSA-N 438.326 2.362 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1722700435 JKHRJDVKNZRUPM-UHFFFAOYSA-N 434.548 2.167 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1722869950 SBPNXGMPRALWHJ-DLBZAZTESA-N 448.568 2.487 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@H](C(F)(F)F)O1 1726666274 IRRFOYWXJLDMSF-RHSMWYFYSA-N 439.438 2.372 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1730496947 DBEKHRQGZSOSTJ-GOSISDBHSA-N 444.511 2.160 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCC(OC)CC1 1740563744 WHXOYIUGBQCCSA-HBFSDRIKSA-N 433.597 2.349 30 10 IEEE C#CCCCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1740580113 YXJXBSIPVSEPAA-XXBNENTESA-N 431.581 2.427 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1740588394 SABJREHWWVYOTQ-MRXNPFEDSA-N 432.322 2.072 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc2ccccc12 1740631752 UYDRPCJKNIQFCG-OAHLLOKOSA-N 427.555 2.224 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1 1740717340 PTOBKGVVFNBVRJ-ZDUSSCGKSA-N 436.525 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ncnn1CC(F)F 1740756406 HLRXDDVNSNUWKN-KDOFPFPSSA-N 445.478 2.209 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCOC1 1740787442 IDMDQMMTICSVFN-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1741115036 KSPGPBIBZNRGJZ-NRFANRHFSA-N 433.516 2.259 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1741800287 RKXCMDHCTWTKIT-HOTGVXAUSA-N 430.509 2.187 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)C(F)(F)F 1748400966 HEXCZDIDBCQGQT-QGZVFWFLSA-N 436.438 2.453 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F 1748638177 KDOPFWGFDBCFDX-LBPRGKRZSA-N 428.390 2.300 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1748745719 QQZJUTPVTHTOST-UHFFFAOYSA-N 438.557 2.339 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1748777034 WMIJWLLDDHAXSO-ZPHPHTNESA-N 442.426 2.142 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748818804 GTIMLNBGEYSKLW-GOSISDBHSA-N 441.582 2.309 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)c1 1748934708 QPGWPQBTHDQGFB-FQEVSTJZSA-N 427.505 2.268 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C1CC1 1748945331 QQERCZQZANMASJ-QUCCMNQESA-N 446.548 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2OCC[C@H]2C)CC1 1749006006 FFCLEWZLXVRKTL-CRAIPNDOSA-N 442.951 2.384 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749660343 NQWHZKYOPZXTIG-FQEVSTJZSA-N 433.560 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1749738667 UMJLFYXKLNMAGM-ICSRJNTNSA-N 446.573 2.040 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1OCC[C@H]1C 1749807044 UYWGDOORRKWPDG-LSTHTHJFSA-N 438.532 2.179 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1750030790 QSINRQSGRXHPMO-HXUWFJFHSA-N 432.532 2.460 30 10 IEEE CC(C)SCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1751061347 BTXCLZWQHYLMFR-CQSZACIVSA-N 425.518 2.464 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1760100684 XSGBLCXFCBECQT-GAJHUEQPSA-N 425.533 2.138 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccn(CC)c1=O 1760115036 XQYUTHFEMVZBOI-OAHLLOKOSA-N 429.484 2.282 30 10 IEEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)N(C)C 1760165063 IGSBRQWPLPSVLZ-UHFFFAOYSA-N 444.586 2.338 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)N(C)C)CCCC1 1760208740 ISHLAQRXUXRAHC-UHFFFAOYSA-N 447.543 2.037 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1760256960 MDWOJMPVXKLUJS-IMSXRSKXSA-N 445.608 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)c2nc(C)cs2)CC1 1760273190 KUWNUWGJWZQSDC-OAHLLOKOSA-N 430.578 2.349 30 10 IEEE C=C(C)Cn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1760349769 ZEPXPGKPPFPUDJ-QHCPKHFHSA-N 443.523 2.494 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1760519755 OBUYIFHRIUHZPD-UHFFFAOYSA-N 437.573 2.334 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)C1 1760543551 SYXLUNZTQFXTQI-HUUCEWRRSA-N 436.438 2.473 30 10 IEEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC1 1761188118 DKEUIFPQFWRHKW-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1765473546 YNWAWKGCFCWSKN-XDHUDOTRSA-N 449.559 2.228 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCO[C@@H]1C(C)C 1766395814 CFKMXMCCZKBAAL-DENIHFKCSA-N 439.564 2.469 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1767945089 IDJPYWYNTUEOEN-UHFFFAOYSA-N 432.488 2.046 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(CCCc2ccccc2)n1Cc1ccc(C#N)o1 1768976844 WLRAXQZUDXRUAM-UHFFFAOYSA-N 427.530 2.447 30 10 IEEE COc1ncccc1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1770558257 BLERZGSOMSADIT-UHFFFAOYSA-N 435.536 2.094 30 10 IEEE CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC12CN(S(=O)(=O)c1ccc(C#N)cc1)C2 1848669860 MKYHGWGWUNGGFV-NRFANRHFSA-N 439.537 2.244 30 10 IEEE CCc1noc(-c2ccn3c(CC(=O)N4CCC(N5CCC(C#N)CC5)CC4)nnc3c2)n1 1850718416 OUFWYZWOCVHNPO-UHFFFAOYSA-N 448.531 2.111 30 10 IEEE O=C1C[C@@H](C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccc(F)cc1 1851526098 BTTGITQIVOXQAR-CYBMUJFWSA-N 449.426 2.435 30 10 IEEE O=C(NCC#CCN1CCCC1)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O 1852430407 PKLFVBHVPTYFIR-UHFFFAOYSA-N 425.920 2.022 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@H]1C 1854312854 OVANFRWXGHVLLL-QAPCUYQASA-N 439.965 2.129 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1862169439 UYEQELYMURBEQI-PMACEKPBSA-N 429.586 2.474 30 10 IEEE CN1CCCc2cc([C@H]3C(C(=O)c4cccc(N)c4)=C(O)C(=O)N3CCCNC=O)ccc21 1862564807 JHMNHZIKFORMMQ-QFIPXVFZSA-N 448.523 2.366 30 10 IEEE CCOC(=O)CN(C)C(=O)[C@@](C)(CC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868796092 QIUZVFOKAHRMLN-HTAPYJJXSA-N 448.589 2.331 30 10 IEEE C#CCOc1cn(CCCCCO)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870562304 ZKCSPBPQNLJBPS-UHFFFAOYSA-N 427.520 2.484 30 10 IEEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870814056 SYJYGMJHJHMXDG-UHFFFAOYSA-N 441.509 2.427 30 10 IEEE CC1CCN(C(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1872637120 PNNIIDPLKJCHMR-UHFFFAOYSA-N 429.502 2.310 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(=O)(=O)Cc1ccc(Br)cc1C#N)C(=O)O 1882498233 URYIAYLXHAPDDM-CYBMUJFWSA-N 447.307 2.213 30 10 IEEE CC(C)(C)OC(=O)N1CC(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)(C(=O)O)C1 1913520309 SAVZQEAFXLCOKE-UHFFFAOYSA-N 432.326 2.150 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 1991981748 IDZXKPVUAOCVDY-GOSISDBHSA-N 434.558 2.461 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C 2006266813 PJQDSMIWLDVJMM-HNNXBMFYSA-N 427.361 2.231 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2015024128 OYNDVAANCCWGNC-KKUMJFAQSA-N 441.525 2.425 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCOC1 2085655902 CJOBDOXSZLTSQJ-NRFANRHFSA-N 433.314 2.003 30 10 IEEE C#CCn1ncc(NC[C@H]2C[C@H](OC)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2172450045 UIVGLCSBGUOSIS-OLZOCXBDSA-N 441.326 2.075 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1 2174780177 RFNNOMZZHNSDDJ-FQEVSTJZSA-N 429.498 2.015 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cc1C#N 2174785288 XGLXAIPDTMUONM-MRXNPFEDSA-N 442.419 2.397 30 10 IEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ncccc1B1OC(C)(C)C(C)(C)O1 2224145268 VOCAZSNCKOILKL-INIZCTEOSA-N 433.358 2.453 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247832364 OBSBHDZMOAGDHK-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)cc2Cl)OC1(C)C 2247898110 ALSWARZCPZXUCL-UHFFFAOYSA-N 432.635 2.142 30 10 IEEE C=C(CS(=O)(=O)N(C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)B1OC(C)(C)C(C)(C)O1 2247903014 ZLFCCBSPCSPFFH-GJZGRUSLSA-N 442.387 2.301 30 10 IEEE CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402411 WPAJJFPKXSZHKE-LJQANCHMSA-N 440.375 2.281 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)C1 2255157361 YPKZASNWZOJWPW-IHSWXRNOSA-N 449.548 2.140 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255636872 AQCJJXORUHNSDM-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255672666 KEFONRYEFSNXRU-IYBDPMFKSA-N 429.326 2.215 30 10 IEEE CON(CCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2255699874 UEQYDMSMCXGUPT-UHFFFAOYSA-N 435.330 2.299 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2258955867 AVHDXYNIWOCGGM-ULQDDVLXSA-N 434.342 2.294 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267145093 DMPOETDVUXQVIQ-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267171595 MUBUNZQRBXYFGL-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267181530 TXNRCNQAUSVIIM-MCMMXHMISA-N 447.316 2.259 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267497882 QGLPFPHLXPSTIU-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)C[C@@H]21 2267806446 XDGLWTHBOBDSCR-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2282176361 SEKRTDAGCNMISK-KBMIEXCESA-N 448.376 2.418 30 10 IEEE COc1cc(C=NN[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccc(C)cc1 2320842283 IWCWMPGVGGKZPD-GOSISDBHSA-N 431.514 2.132 30 10 IEEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)NCC(F)(F)F)OC1(C)C 2369895449 RJVAXFVNSLMVJK-UHFFFAOYSA-N 434.698 2.187 30 10 IEEE COc1cccc(/C=N/Nc2n[nH]c(SCC(=O)NCc3nnc(C(C)C)o3)n2)c1 59878628 YYKLIFZHCDBVOU-DNTJNYDQSA-N 430.494 2.174 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 437405547 BWUYZQCXUCOURB-VUCTXSBTSA-N 435.452 2.499 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 438612154 OEHPEMXWOZLWKJ-UHFFFAOYSA-N 431.518 2.088 30 10 IEEE CCO[C@@H](C)c1nc(CN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cs1 444250924 XIOMSADVTOYVIC-AWEZNQCLSA-N 432.550 2.189 30 10 IEEE C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)n1nnc(-c2ccccc2)n1 463642304 DMNPRWLSWPZBFF-RDTXWAMCSA-N 433.497 2.313 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481574478 VESVZSARQLTFFG-FQEVSTJZSA-N 443.500 2.434 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 488256802 AWYXPGDXMSBJGR-RTBURBONSA-N 426.517 2.422 30 10 IEEE Cc1ncc(S(=O)(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1C#N 489096766 CLTDRUBNIPEIAC-UHFFFAOYSA-N 427.574 2.138 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 502540880 XJKHHOZCJCIHFG-NRFANRHFSA-N 437.562 2.392 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 523357957 UYLZPAUYBOGPKI-LJQANCHMSA-N 445.504 2.368 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 524515210 KXNUUHJLPIORDI-IBGZPJMESA-N 437.544 2.351 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 525836610 LFFGWDBCHZUIKU-UHFFFAOYSA-N 429.498 2.337 30 10 IEEE Cc1c(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 539101827 VCNDOQREUGXJOR-UHFFFAOYSA-N 439.475 2.409 30 10 IEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2cc(C#N)ccc2C(C)=O)CC1 542521295 JHTYTHDMNMVJIX-UHFFFAOYSA-N 445.497 2.268 30 10 IEEE COc1ccc([C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F 555749357 SQJJWLKEEOYNBB-INIZCTEOSA-N 426.492 2.474 30 10 IEEE COc1cccc([C@H]2[C@@H](NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)CCN2C2CC2)c1 563757658 UGLVUEOAWCLQJM-SFTDATJTSA-N 437.548 2.424 30 10 IEEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCc1ccc(C#N)cc1F 611153834 WXKXPFILXSNFEU-LJQANCHMSA-N 442.491 2.085 30 10 IEEE Cc1ccc2c(c1C)NC(=O)C2=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 727972193 WXEZILHTSHFRLQ-UHFFFAOYSA-N 427.530 2.008 30 10 IEEE CC(=NNCc1cccc2cccnc12)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816444 MBDBZIUIZHGCGR-UHFFFAOYSA-N 446.554 2.474 30 10 IEEE C[C@@H]1CCCN(c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2[N+](=O)[O-])C1 732157184 XPYIIRVDAMZQMB-DIGCTUSJSA-N 427.461 2.087 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CCN1C1CC1 732706067 DHBNZXNHKXDSIJ-FQEVSTJZSA-N 435.553 2.448 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)F)cc1 733200685 HLICFXJTOTUJQA-MRXNPFEDSA-N 438.500 2.311 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N2CCc3ccccc32)CC1 739838074 QWZALEADJZEULT-UHFFFAOYSA-N 441.539 2.290 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](OC)C(C)C)c1 744431170 FKFRXDHZVCZYLG-VQTJNVASSA-N 444.601 2.338 30 10 IEEE COc1ccc(COC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1C#N 747011040 DBWABBNWLXPDGN-MRXNPFEDSA-N 433.486 2.316 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 750961735 LTKSYNXSQNNTNS-IQGLISFBSA-N 445.523 2.231 30 10 IEEE CO[C@@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 757470627 KLOXEGIJKPDBBD-IFMALSPDSA-N 448.475 2.087 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OC)s2)c1=O 758078487 NLSPXZWOJWPWON-UHFFFAOYSA-N 436.514 2.008 30 10 IEEE CCOc1cc(C=NNCC(N)=O)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 758903388 DUIXCCBQTFREFQ-HXOBKFHXSA-N 430.549 2.300 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CCCCC1 760405593 IGQVXNZBZNKHEK-CYBMUJFWSA-N 425.457 2.238 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)O[C@@H]3CCN(c4sccc4C#N)C3=O)CC(=O)N2C)cc1 764550469 PBDYIVFLAZHGJC-YQVWRLOYSA-N 439.493 2.496 30 10 IEEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)C2=O)c1 774889394 TTXAZICNALADSR-QFIPXVFZSA-N 433.424 2.371 30 10 IEEE CCn1c(=O)c2ccccc2n2c(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nnc12 780177979 BHZSGOOJAUTFBO-JOCHJYFZSA-N 439.472 2.369 30 10 IEEE CCOc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)c1 782766847 NYOHBDNJWDYAIG-UHFFFAOYSA-N 434.427 2.474 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787765011 SQMSSVRIVQRRCI-NSHDSACASA-N 443.319 2.269 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3sc(CC4CC4)nc3C)CC2)o1 789185725 QGKWVOWLPSKSCT-UHFFFAOYSA-N 429.502 2.078 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)c1ccc(N2CCNC2=O)cc1 790863537 BPPYDFNMALXVAH-UHFFFAOYSA-N 438.387 2.225 30 10 IEEE CN(C)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)c(C(F)(F)F)c1 794596601 VFWTVHZGCZZZAS-UHFFFAOYSA-N 435.471 2.404 30 10 IEEE CC(=O)Nc1cccc(N=c2scc(-c3cnccn3)n2CCn2cnc(C#N)n2)c1 803179334 HMTPQPABHFRXCG-UHFFFAOYSA-N 431.485 2.361 30 10 IEEE Cc1cc(C#N)nc(N2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 804578737 QJGBHTDJSYUGPX-SJLPKXTDSA-N 428.537 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccccc1 812054207 QZHDHHFOZQTPNP-UHFFFAOYSA-N 433.537 2.317 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NS(=O)(=O)c3cccnc3C#N)CC2)CC1 812531557 VTSFRPQSRSAYOK-UHFFFAOYSA-N 449.577 2.095 30 10 IEEE Cc1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC[C@@H]2CCOC2)cc1 1116347996 IFROGOVLJMOKLM-INIZCTEOSA-O 448.590 2.303 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 1136621560 ZTDINLCIJAARLJ-OAHLLOKOSA-N 438.912 2.266 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ncc(C#N)cc3Cl)CC2)cc1 1137735544 CPWBWMCIAXXJFI-UHFFFAOYSA-N 434.905 2.152 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)n1 1143259820 SXTIVNNBUDRIPD-MCIONIFRSA-N 432.575 2.434 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 1147337260 HXCUHFCPAUQGOI-UHFFFAOYSA-N 440.544 2.085 30 10 IEEE C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCCc3c(C#N)cccc32)C1=O 1171746328 WDPWGNBBAWZDBS-XMMPIXPASA-N 431.496 2.285 30 10 IEEE CC1(N2CCC2)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1175846182 ULHNKTSGRMUPAV-UHFFFAOYSA-N 432.590 2.372 30 10 IEEE N#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F 1178330484 XYDTWBVAAFJXAL-LLVKDONJSA-N 433.330 2.214 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)cc21 1179494996 UAHQPTOGKXHEFN-QGZVFWFLSA-N 425.876 2.488 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)C(=O)OC 1193581120 ILSRGNLEPLEGKE-OAHLLOKOSA-N 436.452 2.084 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1198692064 RZJZNMGVSYFOSM-UHFFFAOYSA-N 446.305 2.311 30 10 IEEE C=CCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)CC1 1207053821 YAYKZQAYJQWBGU-UHFFFAOYSA-N 425.455 2.414 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1208011727 CRRIYAIEKFJJTL-GOEBONIOSA-N 425.938 2.219 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C2 1216704767 FPRVHSGUHRNASJ-KBPBESRZSA-N 445.501 2.182 30 10 IEEE CSc1nc(O)c(C(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)cc1C#N 1262730189 MHARLIKMGJCTPR-CQSZACIVSA-N 447.314 2.457 30 10 IEEE C#CCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286359660 GPVUISMEBYBAKN-XMMPIXPASA-N 445.608 2.281 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1286386892 JALSUHCFKTZSQU-KRWDZBQOSA-N 442.932 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H](C)CN1CCOCC1 1286428111 JDISEYLCZWXWNC-OAQYLSRUSA-N 435.572 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286430605 PBPVFSVZHDWDSF-VQIMIIECSA-N 433.512 2.072 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([S@](C)=O)CCC2)CC1 1286478683 JNQRZURSJONAIY-PMERELPUSA-N 429.565 2.064 30 10 IEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H]1C 1286541676 BVOZLWYDIUJLIF-LBPRGKRZSA-N 426.340 2.403 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1286709632 ACHMQOBQAPTCDW-OAQYLSRUSA-N 438.576 2.453 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1286802628 VHHLYFKWLCYTNX-LJQANCHMSA-N 441.557 2.423 30 10 IEEE C[C@@H]1CN(Cc2cccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)CCO1 1291991425 UFEJFYGWLZZUIQ-MRXNPFEDSA-N 445.516 2.274 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 1293031840 HYMYZIUODQEULL-XUTLUUPISA-N 443.866 2.410 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1297965367 TXUBQPQJEMIMOM-UHFFFAOYSA-N 431.500 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1300291655 UPSGMESCQVULGD-FRKCRFBYSA-N 441.495 2.478 30 10 IEEE C#CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CSC1 1300607828 OEROMPDXFGRDDP-UHFFFAOYSA-N 427.567 2.325 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCN(C(C)C)CC2)CC1 1301130205 RZFUBHSFFXYELG-UHFFFAOYSA-N 430.597 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)C[C@@H]1CCCOC1 1301576652 GSXJBZMFVQMNOE-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(CCC(=O)OC)ccc2O)ccc1F 1303571269 YHFLJYVJJRFHRC-UHFFFAOYSA-N 436.461 2.354 30 10 IEEE C#CCC1(NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCOCC1 1303777461 OERDMSMLONPQJS-UHFFFAOYSA-N 432.464 2.453 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCOC2)CC1 1303940519 ANYDWDHJEWIZJH-SFHVURJKSA-N 430.553 2.087 30 10 IEEE CC1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1305110493 YKZYQPKWKVZUHE-JOCHJYFZSA-N 431.560 2.468 30 10 IEEE O=C(c1cnn2cc(Br)cnc12)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893022 PXXSWTJVDSSEST-UHFFFAOYSA-N 444.245 2.010 30 10 IEEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CCOCC1 1309700955 GPKKOXSTRJQLBK-TZIWHRDSSA-N 434.558 2.383 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1313895383 HRGHVVBUCCRXGC-VQTJNVASSA-N 442.589 2.314 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1314740937 HDEQCWSJYRSPEJ-QGZVFWFLSA-N 449.540 2.229 30 10 IEEE C#CCN(CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)[C@H]1CCS(=O)(=O)C1 1340926660 BFYZNCZZXVBEJT-AWEZNQCLSA-N 428.539 2.352 30 10 IEEE C=CCc1cc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)cc(OC)c1OC 1351766416 LJTMTODDVUAKIZ-IRLDBZIGSA-N 425.485 2.042 30 10 IEEE Cc1nnnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1 1357542764 CQWGXOGBLQATEJ-NMWGTECJSA-N 439.501 2.036 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)c1 1358187150 VEOQTIITHVMNEF-SFHVURJKSA-N 441.281 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCn1cncn1 1358988841 FVAGCFBFJHBKTJ-UHFFFAOYSA-N 433.516 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCC2)CC1 1359046970 MINLIHNOERBTFN-UHFFFAOYSA-N 437.544 2.046 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1359113232 CVTFHCGPTRDWBT-QGZVFWFLSA-N 437.610 2.231 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1359239977 CGNPYIFEDQAWPG-GOSISDBHSA-N 426.546 2.231 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCNC(=O)OC(C)(C)C)C1 1359321013 YTQFTPLFTACIGP-SJORKVTESA-N 448.568 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1359332394 WRLYFDCBXMKENH-UHFFFAOYSA-N 441.561 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](COC)C1 1359334376 CXKFOSKDWWKYFW-GOSISDBHSA-N 443.573 2.355 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1359472925 TVAWEKNWGHZSHS-ZDUSSCGKSA-N 431.497 2.126 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1360770172 URWKZYZPKSAYDZ-DLPLYFIVSA-N 430.459 2.477 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1360861898 YHBRFNGUOXNXKL-KRWDZBQOSA-N 439.520 2.081 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1 1449229586 YFCLKMXMILFIQK-LBPRGKRZSA-N 431.395 2.397 30 10 IEEE C#CC1(F)CN(C(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)C1 1455266820 HXVLALDIKARKRL-UHFFFAOYSA-N 433.417 2.202 30 10 IEEE N#CC[C@@H](NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(F)(F)F 1455982114 DIKFVIXQVXFQBL-MRXNPFEDSA-N 449.451 2.257 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1456630531 GUSWOTPHXCFXSD-UHFFFAOYSA-N 443.301 2.147 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCn3ncc(Br)c3C2)c1 1464081474 GNJPDNCERFZHFK-UHFFFAOYSA-N 446.124 2.484 30 10 IEEE C#CCN(CC(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C(=O)OC(C)(C)C 1465714799 QXPBDIYJAYTGMO-LJQANCHMSA-N 445.516 2.138 30 10 IEEE C#CC[C@H](COC)NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 1470741457 ZBXMRXDVCHMGAY-BRWVUGGUSA-N 428.558 2.490 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cnn(-c3ccccc3)c2I)CC1 1471528355 PYKABOBXDMLTRD-UHFFFAOYSA-N 435.265 2.467 30 10 IEEE CCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1502290356 GRJXBKAJNBOVKC-IBGZPJMESA-N 439.564 2.174 30 10 IEEE COc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)ccc1C 1504100036 HWUROMKSRFMATM-WMZHIEFXSA-N 441.532 2.413 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOCC1CCOCC1 1507533171 KTYMTTWUKCYJNJ-MRXNPFEDSA-N 429.521 2.297 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507635133 SMUHCSQUOPUHFF-WOJBJXKFSA-N 430.574 2.491 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)SC 1507662241 GUUOOZKWDIDIHP-KRWDZBQOSA-N 445.614 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCc2c[nH]nc2C)CC1 1507734120 HESAHYYLUYPVEP-UHFFFAOYSA-N 435.532 2.477 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1507752073 VAYATRPHCOOPIM-ZDUSSCGKSA-N 430.559 2.495 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cccn2)CC1 1507848344 XBOQSLSUJQUEBJ-UHFFFAOYSA-N 427.553 2.106 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(C)(=O)=O)CC1 1507898817 WCTCSRIXVZLZKX-UHFFFAOYSA-N 442.383 2.493 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507953833 ISCYWMYDMZHHIF-QGZVFWFLSA-N 431.562 2.179 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1508073315 JPXVQLVIJAQTJT-CYBMUJFWSA-N 434.903 2.097 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H]1C 1516793821 IBJNRYSYXOEPEB-KRWDZBQOSA-N 430.578 2.172 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)c1 1518050083 DXBXQYREHCSRNZ-VQTJNVASSA-N 426.521 2.031 30 10 IEEE Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537006953 YXPXURUJNBTULJ-MGPUTAFESA-N 432.933 2.082 30 10 IEEE C[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1cccc(C#N)c1 1537673647 OQOCRZJWMWCZSL-SOIKWTOOSA-N 433.530 2.017 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(C)=O)nc1 1539028953 FDRYUZVUHGUVTG-CQSZACIVSA-N 437.529 2.129 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCC2(O)CCOCC2)c1 1539038801 UQHBMGVEYLQYFH-UHFFFAOYSA-N 425.533 2.389 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1539140629 PWRBOFOBDGHVQW-VGOFRKELSA-N 444.536 2.428 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1539220546 KQXZZKXJZXLAEE-UYAOXDASSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCNS(=O)(=O)CC 1539305402 ZOXSNDIYRSQOAG-UHFFFAOYSA-N 439.541 2.484 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c(c1)OCCO2 1539340092 DTTZESVPAHCCAY-UHFFFAOYSA-N 432.484 2.399 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539633195 XDIPETJXSCDSDD-AVEIZBFRSA-N 426.583 2.021 30 10 IEEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539974088 JPEWRRLXLXUJBZ-QGZVFWFLSA-N 426.521 2.436 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1540370965 MJOVDERLDOTBKU-PXNSSMCTSA-N 430.549 2.066 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1540567467 NEHKGNNSQBBLFB-QGZVFWFLSA-N 426.542 2.484 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1Cc2ccc(Br)cc2C1 1540871895 WSVRNAWWMZZPEN-CQSZACIVSA-N 432.322 2.367 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCN(C)C)CCOC1 1541723810 INLYKXUXCZNDIS-JOCHJYFZSA-N 434.585 2.027 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CCO1 1546099261 AKHUQHJPVOCOML-JJEOQYAHSA-N 441.532 2.274 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1548241685 QZMAZOQMGSVELH-HSZRJFAPSA-N 438.532 2.404 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1548335734 NTYTVGRFRGCDLA-LJQANCHMSA-N 446.577 2.010 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1548336469 YKRDSBSLSJMDBC-LPHOPBHVSA-N 446.577 2.007 30 10 IEEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1554254298 YNFUUPOQXQGSJK-HNNXBMFYSA-N 438.504 2.190 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1nccnc1C 1555748276 VFZHFVDRGDAEIL-JLMWRMLUSA-N 425.537 2.473 30 10 IEEE CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555833324 QYRCZKNBCMWJIT-ATLSCFEFSA-N 448.618 2.383 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1556367895 YQMAPHNWKTVRAX-LJQANCHMSA-N 428.382 2.479 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1=O 1556455185 DQFOUVYCMQSVSA-RTBURBONSA-N 426.517 2.425 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 1563490605 MXFCNUATDSNKEQ-INIZCTEOSA-N 429.517 2.392 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 1564798964 KMADMJYQQONVJO-UHFFFAOYSA-N 437.496 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)[C@@H](O)C1 1565167211 PPCRTXDBRCUKRM-ICSRJNTNSA-N 443.548 2.197 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)C1=O 1586400623 DJERITONIXCJDD-LFPIHBKWSA-N 447.495 2.492 30 10 IEEE COC(=O)[C@]1(NC(=O)Cc2ccc(C#N)nc2)CCc2cc(Br)ccc2C1 1586572625 ZIYQJSAIEGIQGA-FQEVSTJZSA-N 428.286 2.475 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1589599734 KQUCCRMKHKGQOK-GFCCVEGCSA-N 429.497 2.067 30 10 IEEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC)C1CC1 1595034258 YLLZCPKWHQXNBZ-UHFFFAOYSA-N 446.396 2.473 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1595127789 YWLNTVFWDQSCIV-OAQYLSRUSA-N 445.520 2.155 30 10 IEEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cnn1CC(C)C 1611878786 MZSYUZBJQYFNSE-UHFFFAOYSA-N 432.532 2.304 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1612385809 GQBAMKSEGRWGEZ-QWHCGFSZSA-N 448.574 2.405 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@@H]1C[C@H]1CF 1613564831 CTSJMYJRZJQZKZ-YVEFUNNKSA-N 427.484 2.262 30 10 IEEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1614193742 FGCNIDORIIZFHI-QGZVFWFLSA-N 446.577 2.293 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCSCC2)CCOC1 1616200834 ABDZSTHCPCSBHY-OAQYLSRUSA-N 434.610 2.109 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(F)(F)F)CC1 1620169177 HMBACNFVKXNLOL-UHFFFAOYSA-N 442.467 2.241 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](O)COc2cccc(F)c2)C1 1631286254 UWKPNWNPYGVREO-QGZVFWFLSA-N 448.292 2.452 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1cc(F)cc(F)c1 1632954139 ZRGIEBGAXIKHEQ-SFHVURJKSA-N 449.479 2.384 30 10 IEEE C#CCN(CC(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1)C(=O)OC(C)(C)C 1634059758 JLCYMXTURULQGI-UHFFFAOYSA-N 433.553 2.272 30 10 IEEE C#C[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F 1635191690 NDUSTIJGDSZRQJ-IRXDYDNUSA-N 445.299 2.262 30 10 IEEE C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1636290772 JCVJNNUFCIRBRJ-DPTNMZKTSA-N 432.565 2.095 30 10 IEEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1640439113 AHEFFDPNSJHRIO-UHFFFAOYSA-N 448.570 2.497 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1640896422 LHUQVYQWSWGZCK-SQNIBIBYSA-N 442.541 2.182 30 10 IEEE C[C@](O)(CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C(F)(F)C(F)(F)F 1644636136 VLBWNHHOUDMLIA-JTQLQIEISA-N 436.365 2.223 30 10 IEEE COC(=O)CC1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC1 1646251313 WEPJRJNAUHMRKW-KRWDZBQOSA-N 426.473 2.003 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)N[C@H](CO)c1ccccc1I 1647755983 JDXCFDVBFYTCNG-OAHLLOKOSA-N 435.217 2.221 30 10 IEEE C=CC[S@](=O)(=NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)c1ccccc1 1648461702 OYJRKTZQOGWOCJ-KJZPAOQPSA-N 436.555 2.262 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)OC)ccc1F 1653435767 CWMMOULIROAGOM-MRXNPFEDSA-N 426.510 2.389 30 10 IEEE Cc1nnc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)n1C 1659719602 FBBYHWGCWAZXQE-AWEZNQCLSA-N 427.578 2.332 30 10 IEEE N#Cc1c(CCCNC(=O)NC[C@H]2CC3(CCOCC3)CO2)nn(-c2ccccc2)c1N 1683498471 KLLQBDIEQDFCNI-GOSISDBHSA-N 438.532 2.144 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC(C)CC1 1689840379 YLKLSIMTPZAKNZ-RBUKOAKNSA-N 433.564 2.499 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1689873484 KOVFDWMLVHDASC-UHFFFAOYSA-N 436.564 2.051 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1689885814 WRAWRCXYFGALDW-UHFFFAOYSA-N 425.566 2.223 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689998348 JWBBMFCVPLOGDR-HYVNUMGLSA-N 449.602 2.325 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1690177485 XGEGGRVCRWZXEI-QGZVFWFLSA-N 427.574 2.301 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1690265453 PGHPKUAJPUXTFI-UHFFFAOYSA-N 445.572 2.367 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1690508880 RSYQNWPPQUJNAA-GOSISDBHSA-N 438.594 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COC)C1 1690720058 ZDGCDBODEULXMI-AWEZNQCLSA-N 425.942 2.067 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C1CC1 1690723104 HVYKPEDPDVAHOX-MRXNPFEDSA-N 435.575 2.061 30 10 IEEE C=CCSCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1690752846 SQZNHKJSOYMLCI-RXVVDRJESA-N 448.593 2.161 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(OCC(N)=O)c2)n1 1693189230 CSYLQZNMHQOSMR-QFIPXVFZSA-N 435.463 2.003 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)c1 1693229476 GSLZBAWDDGEBSG-TZIWHRDSSA-N 441.532 2.338 30 10 IEEE Cc1nc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cs1 1693370064 JZJBLWPQYBJELA-XLIONFOSSA-N 432.550 2.055 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N[C@@H](C)CC 1694552573 FRZKKUATGBZCSU-PKOBYXMFSA-N 440.548 2.453 30 10 IEEE CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H](C)C1CCC1 1695551567 ZXVHEVYDPDPBFZ-RLBWVDARSA-N 436.520 2.276 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1696682665 FCXILTMGJHBNSA-XUTLUUPISA-N 448.462 2.037 30 10 IEEE COc1ccc(O[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1697472355 DXGYCYVNIHJNAH-LAUBAEHRSA-N 434.500 2.469 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1705561596 RUQMUBMHSPSDKX-LJQANCHMSA-N 441.557 2.259 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)CCC(C)C)CC1 1705649314 SRPYEEWGAAPKAQ-XMMPIXPASA-N 440.592 2.437 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705657649 MBRNGDQENXXMSH-UHFFFAOYSA-N 440.577 2.054 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705662482 ZWGUITYTBUSVSG-UHFFFAOYSA-N 434.654 2.224 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705739169 XGKZNDAIBKMAKY-IBGZPJMESA-N 433.578 2.260 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1705834275 HRVOTBLAGYIGID-PKOBYXMFSA-N 432.594 2.175 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1710314333 BWEFWOFUUVNBEB-LJQANCHMSA-N 440.548 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1722275677 FKQNVALQPKWKHM-AOMKIAJQSA-N 426.521 2.178 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1722276128 HHGHKUNAYDBVGO-STQMWFEESA-N 425.942 2.057 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1722351259 KOXWCJVZKNYPDV-UHFFFAOYSA-N 430.556 2.338 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCN1CCC 1722447430 NBXFZHGVUCQIBR-GOSISDBHSA-N 442.564 2.356 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722457339 BBDBNRGGLPEYDG-UHFFFAOYSA-N 442.618 2.132 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1722502448 UWNOOJQWCCIJGV-IAGOWNOFSA-N 426.631 2.411 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1722628653 ADTOEWDVZZSEFY-WOJBJXKFSA-N 446.573 2.351 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1722629932 PZKJVPSHDNJXAH-KRWDZBQOSA-N 426.583 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722698118 UGYSHSRORXCMJY-KRWDZBQOSA-N 434.500 2.227 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728373733 VYCXWOFNBLMYRS-AZUAARDMSA-N 438.580 2.453 30 10 IEEE COC[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730444933 CISVWJYVHFMBLS-MRXNPFEDSA-N 426.569 2.458 30 10 IEEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1731055325 CASKVJYUIXBPDM-YOEHRIQHSA-N 426.612 2.304 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740569827 QPYDVSRQZJOACZ-GOSISDBHSA-N 426.542 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCO[C@H](C)C1 1740684667 YEDILOBIXJWMLN-SJORKVTESA-N 436.516 2.495 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CC1 1740685948 NMAGQBYTNJSHKK-KRWDZBQOSA-N 446.548 2.137 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC=C)CC1 1740690524 JYDMQCISCMAGOH-FQEVSTJZSA-N 436.560 2.092 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1740863880 HSIHCSOLVHYQCB-SJORKVTESA-N 443.639 2.299 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1740959698 CRMGTYSKKLJZBT-SJORKVTESA-N 430.578 2.029 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740964010 DXHIQCNCTLJJLS-VQIMIIECSA-N 429.496 2.304 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC)C(=O)C1 1740968937 RCHUAXUKEDMNTE-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccn2)C1 1740982789 XCBYQZMZTCLBQB-QZTJIDSGSA-N 445.589 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740987721 XYGVYGUWXDASSN-IAGOWNOFSA-N 425.599 2.086 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1748751566 IWCHVFFWGVIACF-UXHICEINSA-N 439.541 2.043 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809878 PZSPNBCLVNPXLP-TZIWHRDSSA-N 441.601 2.220 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748825392 YFKPIHRCWBSJIG-CRAIPNDOSA-N 436.484 2.083 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1748990993 NQLDIBAKMPSBIU-ICSRJNTNSA-N 428.606 2.292 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCNS(C)(=O)=O 1749073348 MGGDZWJDOQRLDG-OAQYLSRUSA-N 431.562 2.097 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749652363 MGMFFWHOLUFHDT-RTWAWAEBSA-N 433.560 2.299 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749672039 OCUNXOJCHVMQFW-LJQANCHMSA-N 433.560 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CN2CCOCC2)C1 1749714418 JNXYJGVHBVONFP-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(F)cc(F)c(F)c1F 1750005312 ATOIMPGOMFIZLN-NEPJUHHUSA-N 443.401 2.336 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760141350 RBLHYMROUQRBLK-QHCPKHFHSA-N 425.581 2.244 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)NCC(F)(F)F 1760167786 COEUKUGZXWDCEJ-UHFFFAOYSA-N 439.438 2.489 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760177107 LQRLAKUXKWHSMR-UHFFFAOYSA-N 429.571 2.298 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1760190290 ZISHFOQKPPQOKP-UWVAXJGDSA-N 438.619 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCc2nccs2)CC1 1760271971 TYQCYGTWGICLBI-UHFFFAOYSA-N 449.584 2.319 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cscn2)CC1 1760281345 MNIXWOWLVWAICI-KRWDZBQOSA-N 432.619 2.317 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1760335389 ZJJLZCMXHWAQTM-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760349028 WOUUMGNJOBJFFF-UHFFFAOYSA-N 429.569 2.431 30 10 IEEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760377506 DJCMFSALMOEHOE-KRWDZBQOSA-N 428.924 2.444 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760431076 DETRYTLIULNIPV-OYRHEFFESA-N 443.640 2.475 30 10 IEEE Cc1ccc(OCCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1761844524 KHUHTOWMJUGWSE-FQEVSTJZSA-N 438.532 2.297 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CCN1CC(F)(F)F 1763081305 DUOATXUONYAJBY-OAHLLOKOSA-N 445.453 2.181 30 10 IEEE CC/C=C/Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1763636554 KYKRUTFUBWHISS-AATRIKPKSA-N 431.548 2.470 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)cn1 1765312393 ASKRPADAEOLMOK-UHFFFAOYSA-N 446.437 2.348 30 10 IEEE CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1767548974 CMCJFSVOPSJHET-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE COCc1ccc([C@H]2CCCN2c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1770847278 UMGFQXJHPYAAIQ-ZBBYCGENSA-N 426.477 2.194 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1771167779 DAHVOYCIJXFTGG-JTSKRJEESA-N 429.521 2.316 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1771238652 LCBGQTQCEWWWQI-UWJYYQICSA-N 430.484 2.430 30 10 IEEE CS[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771396800 DVPBKXHTOMEDPB-BFYDXBDKSA-N 428.566 2.258 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772789874 GGUIZNBRYBBIRN-UHFFFAOYSA-N 432.454 2.094 30 10 IEEE COC(=O)[C@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@]23O[C@@H]2C[C@@]2(C)[C@H](CC[C@@]24CCC(=O)O4)[C@H]13 1848435453 DDHQRXOAZNEFKY-VKXRNGQYSA-N 430.497 2.095 30 10 IEEE COc1cnc(C(F)(F)F)nc1N1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 1852087564 QTJQPWFODIUTFS-UHFFFAOYSA-N 426.786 2.386 30 10 IEEE CCN(CC)CC#CCNC(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O 1852430463 RKZHGRFLQOZGJT-UHFFFAOYSA-N 427.936 2.268 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccncn1 1854536155 BCUZOMMAOURDIR-MRXNPFEDSA-N 426.498 2.325 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1C(=O)O 1862628810 HHMBOFWOMGGNIU-IBGZPJMESA-N 438.436 2.253 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1C(=O)O 1862757537 IPPADADKPIPXLQ-GTNSWQLSSA-N 426.381 2.252 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)cc1O 1864061395 QEBOFYUDGWLMJH-GOSISDBHSA-N 433.468 2.238 30 10 IEEE N#CCc1[nH][nH]c(=NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1C#N 1865996025 JSSOHFNCZVXMLP-FQEVSTJZSA-N 428.452 2.246 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CCc3cnc(N(C)C)nc3)sc2c1 1866154213 NHEMWFPLBCWOBX-UHFFFAOYSA-N 446.558 2.188 30 10 IEEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2nc[nH]c2c1 1869928230 DFCKFZYUKRYJDJ-OAHLLOKOSA-N 429.527 2.362 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc(NC(C)=O)cc2)cc(OC)c1OC 1870137769 ZHAAGVJELGHUCO-UHFFFAOYSA-N 436.428 2.375 30 10 IEEE N#Cc1ccccc1NC(=O)CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1873868430 CJPYLWSLMSVATG-UHFFFAOYSA-N 426.498 2.382 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 1890221058 GTJHLKRGUAOVPJ-UHFFFAOYSA-N 446.523 2.385 30 10 IEEE CN1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1C#N 1914876564 JDXXLYZNHGEIAQ-SNVBAGLBSA-N 434.075 2.333 30 10 IEEE C[C@@H]1[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2060624945 DSWBDAFHLBEFHH-UKRRQHHQSA-N 432.330 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060640175 QQFSCLAVBWHCDH-TWJGEFDFSA-N 436.358 2.299 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212235827 WCPXXHITHMZFIO-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE Cc1nc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247835032 FKAJISXMBPAEAD-UHFFFAOYSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)Nc1ccoc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403387 DISXOGZOIAKPFS-UHFFFAOYSA-N 436.299 2.452 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2255528457 ASVYBHHOHFQORQ-QGZVFWFLSA-N 438.362 2.292 30 10 IEEE CC[C@@H](CN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255649147 QGVFWMBNUIAXDN-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2257493122 PJFWONJVOFEOGV-MRXNPFEDSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]21 2267143199 FAUKCKYOFCXOGB-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267147806 XMQOSXKTGJUQTI-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183023 CTCCWFATOUODRF-CABCVRRESA-N 448.373 2.095 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510229 HZWXDLAAKVJQKR-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267517960 ATPGLQLRTKKZMX-ZNMIVQPWSA-N 446.357 2.227 30 10 IEEE CC(C)[C@H]1[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267526792 XUURSPIKUAQRPX-RDJZCZTQSA-N 448.373 2.473 30 10 IEEE Cn1nc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267547630 ACSWLCXECJZKBV-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2269899453 BCHDQYNRJMUPSC-INIZCTEOSA-N 448.369 2.334 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)OC1(C)C 2283067034 ANZASDJCBJNHCW-PMACEKPBSA-N 448.376 2.370 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cnn(CCC#N)c1-c1ccccc1 428525083 YDWKVBVCIBKCLC-YRXWBPOGSA-N 436.468 2.029 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 438867792 NQTRFSHBGLLJOE-LJQANCHMSA-N 441.557 2.471 30 10 IEEE COCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1=O 461735924 XGMXSIAVESDJAH-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cn1 462085920 CRLSBTIRNLBNKM-MISYRCLQSA-N 427.468 2.417 30 10 IEEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 480316289 DYIDXNZITSBRAH-CQSZACIVSA-N 436.925 2.333 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)n1 484453483 OJRCIYAOIKEKCK-QGZVFWFLSA-N 449.442 2.128 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2=O)cc1 486612574 RKQZTHWAOUMCKH-MRXNPFEDSA-N 447.900 2.062 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2F)CC1 489199085 AOEHXXFYAKBQJP-JOCHJYFZSA-N 449.530 2.370 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 499844080 VBTBURNYWWPASQ-QGZVFWFLSA-N 435.937 2.462 30 10 IEEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C1 506332184 MJKBYLGBYRMRES-STSQHVNTSA-N 434.581 2.087 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508876701 YMFLYEQNCPJLIP-KRWDZBQOSA-N 437.504 2.305 30 10 IEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508934782 KUXJLMIJYWGKAZ-QGZVFWFLSA-N 436.520 2.137 30 10 IEEE COc1c(F)cc(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O 521352137 WBGPUBXKGCOEOY-CQSZACIVSA-N 445.394 2.424 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 537171203 UBKWMGSSRLVOBH-DLBZAZTESA-N 444.532 2.270 30 10 IEEE CN1CCN(C[C@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc2)CC1 545905501 ZJSXHUKYCWRXNJ-NRFANRHFSA-N 430.516 2.249 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CC2)n1 549482692 NFIQKVHEDMJRPB-IBGZPJMESA-N 446.515 2.121 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](Cc3cccnc3)NC(=O)c3ccccc3)C2)nc1 552902628 OMOMQDAFTIWMKQ-FCHUYYIVSA-N 441.491 2.369 30 10 IEEE COc1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc(Cl)c1OCC(N)=O 558130149 GKPGJTWWOVJENY-UHFFFAOYSA-N 431.876 2.373 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(N4C(=O)N[C@H](C)C4=O)c3C)CC2)o1 567803427 DFKNFKDGLYQQDU-CYBMUJFWSA-N 436.472 2.463 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)C1=O 569283798 OWJOBNORTBYULT-UHFFFAOYSA-N 439.390 2.268 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N(CCO)Cc1cc(Br)ccc1F 584379137 MZJQLFPQUSXXOG-MRXNPFEDSA-N 441.301 2.453 30 10 IEEE COc1ccc(C)cc1S(=O)(=O)N(CCN1CCOCC1)Cc1cccc(C#N)c1 586140577 VZGLAMDUEMIXET-UHFFFAOYSA-N 429.542 2.398 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)c(C)c1 604002211 YVDQIVIAQPTOTC-UHFFFAOYSA-N 442.544 2.415 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1 610153397 PLJHZTZXVBVBGA-LEWJYISDSA-N 436.537 2.299 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 728830197 IGKFPSHNKCRIQM-DEOSSOPVSA-N 432.480 2.395 30 10 IEEE CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(C)cc1 746107730 NBGDXESPZZYPKV-UHFFFAOYSA-N 426.542 2.226 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c1 758227371 RPYYUUKEHLPECC-KORCNWHFSA-N 435.550 2.055 30 10 IEEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 760776041 ZFDGQZABGTYYBZ-KRWDZBQOSA-N 431.562 2.344 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1 764074110 CWLVJZNWTMIDNE-PMACEKPBSA-N 433.480 2.052 30 10 IEEE C#CCN(C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)[C@H]1CCS(=O)(=O)C1 774176239 CFIPABFNIUJZJF-FQEVSTJZSA-N 443.500 2.410 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C)(C#N)CC3)c2)CC1 780779651 RBMMIBGOLRMJLN-UHFFFAOYSA-N 438.981 2.432 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780881839 VAYNIWFWGKCUPZ-PMACEKPBSA-N 427.888 2.304 30 10 IEEE C[C@H](CC(=O)O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 786469491 UIPQYAKDNNPPAK-MGPQQGTHSA-N 437.518 2.103 30 10 IEEE COc1ncccc1-c1csc(=Nc2ccccc2C#N)n1CCN1CCNC(=O)C1 803181882 NFJMMLPYUSAVPV-UHFFFAOYSA-N 434.525 2.156 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 804455064 CIDAVJLBQOBUAD-REWPJTCUSA-N 426.538 2.192 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 812195608 CYJWSNYDAZBNGC-FZKCQIBNSA-N 437.541 2.443 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCC[C@H](O)C3)cc2C1=O 1154456811 UZGHKEWQVOTFAO-INIZCTEOSA-N 433.464 2.318 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1c1ccccc1 1163204569 STRWXARZQVOBDJ-CKVSNKFESA-N 439.512 2.487 30 10 IEEE CCN(C(=O)c1ccc(C#N)cn1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1166957900 OGUFGAXVHGONKF-INIZCTEOSA-N 429.521 2.273 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OC 1193574118 PORCNRHPARETEB-GFCCVEGCSA-N 438.271 2.161 30 10 IEEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1194992322 BXAMPFGMMRCRMG-RTWAWAEBSA-N 432.609 2.265 30 10 IEEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCc2c(CC#N)cccc2C1 1196622936 MUTRMWYZYMLPMH-CVEARBPZSA-N 426.542 2.024 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1286297154 AOZQZFFCPZHYAJ-MJGOQNOKSA-N 438.557 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386671 FSJXPUZYLXKNFJ-FUHWJXTLSA-N 431.562 2.028 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1N1CCOCC1 1286464812 FIQHTTLOOFWLQY-JOCHJYFZSA-N 439.560 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCCC2)nc1 1286468703 GQRAVYCETKZQDE-UHFFFAOYSA-N 448.575 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)N(C)C)CC1 1286494828 SXJAXILLLQDSBA-FQEVSTJZSA-N 436.604 2.369 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286623942 YVPHTTJSPBBOGQ-DYVFJYSZSA-N 439.969 2.155 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286646473 RRNWLTHRGPHBCP-IERDGZPVSA-N 434.537 2.383 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286705245 VSEKXARZKISFCH-CABCVRRESA-N 431.459 2.263 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286789508 HLLIJZAUGZUQQW-OALUTQOASA-N 440.592 2.293 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1291325031 DHFLAGIBASAQJY-HJPURHCSSA-N 442.539 2.453 30 10 IEEE CC/C=C/Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1293707419 RDXSULATRBDRTP-NGHLMZTLSA-N 432.525 2.281 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCC(=O)NC)c1 1297536152 OEKLUWYPAHSGMQ-INIZCTEOSA-N 425.913 2.464 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1297715471 IBRAQVYCCPCBPX-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300502376 SDRKPGKRCJSUNX-GOSISDBHSA-N 431.562 2.291 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCCC2)nc1 1300506211 PDKTUUAKLLCHAY-UHFFFAOYSA-N 433.560 2.313 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1300616945 QMCJREAXNKLOMT-HNNXBMFYSA-N 445.321 2.155 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300655404 WNKHFQBYPRCQAL-LAUBAEHRSA-N 431.924 2.418 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CC[C@]2(CCOC2)O1 1300664391 ABNYMGKOSNRQKC-WZONZLPQSA-N 426.517 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC)CC1 1300719369 YGMWRPMBCPVBOV-UHFFFAOYSA-N 432.528 2.496 30 10 IEEE C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1CCCNC(=O)OC(C)(C)C 1300965958 GTSGZDIGDZWGEK-NVXWUHKLSA-N 447.536 2.143 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCOCC 1301018923 CSYMJGQYSNITCK-UHFFFAOYSA-N 427.958 2.421 30 10 IEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)(=O)CC1 1301241470 QZJFRLPHBGYZCW-UHFFFAOYSA-N 442.545 2.163 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)C1 1302979396 PUVOGELKTFKJCT-OXJNMPFZSA-N 435.500 2.394 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCOCC(F)(F)C(F)F)c1 1302989659 OFPUPCCSBNVOQB-GASCZTMLSA-N 441.385 2.295 30 10 IEEE CC(C)COCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1303239923 MMMIIKLROKUZEE-INIZCTEOSA-N 432.550 2.061 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CCOCC2)n1 1304484325 DLGPWAAXEJVADK-IBGZPJMESA-N 426.521 2.211 30 10 IEEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1305060349 VZWNKRKFGDVGLX-VNRULFPQSA-N 447.499 2.244 30 10 IEEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)cs1 1306037898 OPPZUGZKPNUVGK-CQSZACIVSA-N 434.591 2.377 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 1308611895 MQCUTIGJIPDKTH-UHFFFAOYSA-N 436.331 2.148 30 10 IEEE C#C[C@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CCOCC1 1309700953 GPKKOXSTRJQLBK-FPOVZHCZSA-N 434.558 2.383 30 10 IEEE CCOC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCCC1 1314152181 QRPUMKBZKLMROF-XMSQKQJNSA-N 433.553 2.397 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1314777998 YXPMJTYYPDHPJE-ZDUSSCGKSA-N 432.435 2.178 30 10 IEEE COc1cccc([C@H](Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)N(C)C)c1 1315546434 HXSYDCLTWNFXDD-NRFANRHFSA-N 433.516 2.433 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)C1 1316532727 UQAVXLZTWREPTE-SFHVURJKSA-N 435.554 2.481 30 10 IEEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1349278640 YLEUAXVGWMICTB-QGZVFWFLSA-N 444.509 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359104620 DJUDPHSTVFKJJE-YDHSSHFGSA-N 447.580 2.002 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359197093 CPDANWHJBXTWKQ-IBGZPJMESA-N 439.564 2.440 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)CCC3CCCC3)CC2)nnc1C(C)(C)C 1359305885 PRIQFMXZOJMBJZ-UHFFFAOYSA-N 430.597 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1359328317 ZRZOYXVTYINVDJ-UHFFFAOYSA-N 426.546 2.244 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(C#N)C1 1360316013 LXHSAZXMBXHKBM-IBGZPJMESA-N 436.607 2.388 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1361162122 ILWCEDAULGXFPH-RTBURBONSA-N 427.505 2.008 30 10 IEEE C=CC1(CC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1443405035 HFTUEESCUMMKBN-UHFFFAOYSA-N 448.608 2.393 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nncn3C(C)C)CC2)s1 1443494665 PSUNPNCADQOKJM-UHFFFAOYSA-N 437.591 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 1452424772 YBTPAWVGIIROGF-IEBWSBKVSA-N 440.500 2.492 30 10 IEEE Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(=O)NCc3ccc(C#N)cc3)C2)cn1 1460656331 JVTASUPHZJQZBO-PMACEKPBSA-N 437.544 2.355 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CC1 1468540594 ZRMBHTJUNRJASX-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE N#CCCn1cc(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1470284333 AIOHXDMMRUVBQM-IBGZPJMESA-N 438.488 2.043 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc3cc(S(=O)(=O)CC)ccc3o2)n1 1477216469 UTRQQXDJXGXZPT-UHFFFAOYSA-N 445.501 2.132 30 10 IEEE N#Cc1ccc(CCNC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cc1 1477513236 BKCIOOZZKMNDQF-NRFANRHFSA-N 436.512 2.274 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC[C@@H]2CCCO2)CCOC1 1502668047 AEFRLPAZWOTISH-SIKLNZKXSA-N 433.553 2.256 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1OC 1502803588 ASORCUUAVFVJKG-RXYZOABWSA-N 445.495 2.334 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503530051 BDJOIUQOIFONIC-OVGZCAFISA-N 426.521 2.101 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)nc1 1507520192 BDLJEPMJFNCGOS-KRWDZBQOSA-N 438.557 2.405 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1507689896 NRCGGQPXTNYECT-KRWDZBQOSA-N 444.605 2.360 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507717415 BRQOCMDXWPTREK-UYAOXDASSA-N 429.952 2.405 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1507721088 LSGGFPMXEPBJLX-IBGZPJMESA-N 438.576 2.202 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 1507882164 WTMMEORQABNRHY-REWPJTCUSA-N 433.597 2.443 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507953830 ISCYWMYDMZHHIF-KRWDZBQOSA-N 431.562 2.179 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1508097253 GZXCXCJEWLBIMB-KBXCAEBGSA-N 431.459 2.011 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1508671395 MCRQWCVDMDYMNT-CQSZACIVSA-N 436.476 2.351 30 10 IEEE CC(C)COCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1509468422 QITONHMQZCBVAN-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(c2ccccc2)CC1 1510187964 BCYFWWHSHAMDAY-YWZLYKJASA-N 432.525 2.062 30 10 IEEE C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)(N(C)C)C1 1512105269 HZCJIGJOQQFCME-WIRSXHRWSA-N 436.626 2.429 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1512424577 IOAHTUFIWIJTSB-AYAKEVCGSA-N 440.479 2.226 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1512436214 VPRCOKKLORWDOO-MYDZZUQKSA-N 441.561 2.140 30 10 IEEE CN1CCn2nc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2S1(=O)=O 1515352197 KJVXNXHUUWNHMJ-UHFFFAOYSA-N 437.481 2.220 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cc1 1518201712 AWWAVDOQYHTDJJ-YADHBBJMSA-N 429.496 2.319 30 10 IEEE COC[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1518706680 QDKMRKOASIPBLD-IEBWSBKVSA-N 425.537 2.395 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1518748773 JDNCLCGZFYRLQR-QZTJIDSGSA-N 429.500 2.097 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(F)(F)F)CC2)c(F)c1 1521094864 HJLOMDMRECSUQP-AWEZNQCLSA-N 437.401 2.129 30 10 IEEE COCCOCC(=O)NC1CCC(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 1535587419 FDOBXEOUECVCMP-UHFFFAOYSA-N 439.516 2.080 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)cc(C#N)c2)o1 1535885602 CAYJMAWTQDNPAM-MRXNPFEDSA-N 431.470 2.428 30 10 IEEE COc1ccc([C@H]2COCCN2C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1536076111 GUKCUFDXGAWYMC-NHCUHLMSSA-N 448.479 2.372 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCO[C@H]1CNC(=O)OC(C)(C)C 1536489297 BAOKCRBNMWZVMF-HOTGVXAUSA-N 426.477 2.316 30 10 IEEE CC(C)c1ccc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1538308809 VGRQEFWVJACYGJ-UWJYYQICSA-N 428.514 2.189 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539116107 FZEAVTPFNZVSEA-FQEVSTJZSA-N 439.564 2.313 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539220829 MDNOMKSEGGOHFJ-ZWKOTPCHSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(OC)c(OC)c1OC 1539271508 DRVWLBYNQDYZET-UHFFFAOYSA-N 431.496 2.411 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1539669693 SKBWGWSETYCYCJ-OAHLLOKOSA-N 437.532 2.467 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1540094501 MUEPCZBDJCCQPL-JOCHJYFZSA-N 444.967 2.083 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1540189147 JPMMJKMWXTXSSF-UHFFFAOYSA-N 426.565 2.389 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540866669 WCWHVODXHVOWFP-CABCVRRESA-N 435.843 2.154 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367810 PDLZJJWQXUYZRS-IBGZPJMESA-N 446.429 2.419 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(C)COC1 1555674580 UOUBNOMYTGORIQ-XLIONFOSSA-N 441.532 2.488 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3n2-c2ccn(C)n2)cc1 1557762678 STOWIYZYBQGZEW-UHFFFAOYSA-N 436.497 2.476 30 10 IEEE C#CCCCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)[C@@H]1COC[C@@H]12 1572871498 GMEPCCOFMNYSHB-FIQGOXITSA-N 426.557 2.069 30 10 IEEE C=C(CC)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1583833755 CDDPUTCLHOHXRW-UHFFFAOYSA-N 427.954 2.036 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 1586325760 AETYVIUFZKEQNV-UHFFFAOYSA-N 442.497 2.264 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588049847 MDNCHZLREZGHCB-WMZOPIPTSA-N 444.557 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1cnnn1 1588189680 PYEROLGZKXKEOH-UHFFFAOYSA-N 425.500 2.341 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@H]1C 1588612737 JWKMRTMCKKYGLF-MJGOQNOKSA-N 426.517 2.475 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(CN3CCOCC3)c2)CC1 1588742534 SBXHQKBDQUAFKH-OAQYLSRUSA-N 436.604 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1589216159 KWZYZELUSFETKO-HTAPYJJXSA-N 445.564 2.426 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1594830603 ZGGNGRFOWYLDOH-HXUWFJFHSA-N 441.532 2.390 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 1595477290 SOUQIJODOSNSSV-HNNXBMFYSA-N 427.484 2.229 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)c3cnccc3C#N)c2)nn1 1595588706 VAJUBULRZGFVHN-UHFFFAOYSA-N 433.472 2.489 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1596951719 NTZWIOAYVPTWQI-IAGOWNOFSA-N 438.488 2.093 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCCO 1597124406 LDDWLIYUISUTRE-UHFFFAOYSA-N 430.528 2.312 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1611319775 NJIKBHQKNCDSKZ-LUDNOHBGSA-N 445.568 2.265 30 10 IEEE CCOc1ccc(-c2nnc(N(C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)cc1OC 1616335324 OILJDDRMCFARJD-XUTLUUPISA-N 440.504 2.335 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1)OC 1619598122 GGFZSOGLXPWKLP-FQEVSTJZSA-N 440.548 2.219 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCCCCO)cc1 1620352221 NPSAULFLAVKIKJ-ROUUACIJSA-N 427.461 2.005 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 1622251704 CFLWSINVCWIFHH-NRFANRHFSA-N 425.510 2.387 30 10 IEEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1622295524 WFVUFKRQHWSETD-OAHLLOKOSA-N 433.350 2.018 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1624056697 INPUOWAPICUWST-UHFFFAOYSA-N 449.891 2.375 30 10 IEEE CCn1c(=O)nc(O)c2c(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc(C(C)C)nc21 1628661757 AUMPKJIZNZGOHM-SFHVURJKSA-N 435.484 2.318 30 10 IEEE CC(C)c1ncc2c(n1)CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1630141075 XNNUVGXCGGOWHS-LJQANCHMSA-N 432.484 2.262 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)c3ncc(C=O)n3c2)n1 1634600886 CXTAAQSCFLXFTM-UHFFFAOYSA-N 444.289 2.028 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(NC(=O)OC(C)(C)C)ccn2)cc1 1635046052 FSMKQRFCMZXZEO-UHFFFAOYSA-N 444.513 2.270 30 10 IEEE Cc1cc2c(cc1Br)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 1635753532 AKHQSIBSLJPULQ-UHFFFAOYSA-N 448.342 2.492 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1638849333 ZQBJPYQZPPRLRI-INIZCTEOSA-N 448.928 2.172 30 10 IEEE O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1639049386 AMWCSGPRSKWZCK-UHFFFAOYSA-N 435.396 2.298 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](CO)CC3CCOCC3)C2)C1 1639748204 ILKPEJJOSCCRDB-SUYXUUSGSA-N 435.565 2.315 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1640115203 AWFCCOCWCAWBNF-WMHRWZGDSA-N 442.462 2.381 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)s1 1640483608 QIIHRWFILMMYNZ-OAHLLOKOSA-N 426.482 2.061 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1640863769 WOZSTZXLUNSWSO-GFCCVEGCSA-N 449.982 2.316 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccccc3-c3ncc[nH]3)C2=O)cc1 1642444350 VNFMXFAVVPGFJS-LJQANCHMSA-N 428.452 2.470 30 10 IEEE CCS(=O)(=O)CCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1642815885 HEDRPYNACYJWIH-SFHVURJKSA-N 435.546 2.334 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1661854891 FUJVOIXXNPPSFA-UHFFFAOYSA-N 447.488 2.141 30 10 IEEE C=CCCSCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1664316644 IKFFSIBESTZKMM-UHFFFAOYSA-N 428.395 2.440 30 10 IEEE Cn1c(=O)c2ccc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc2n(C)c1=O 1664748711 BOOYHWYIKQQWTA-UHFFFAOYSA-N 448.483 2.016 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cccc2c(C(=O)OC)nccc12)C(=O)OCC 1665497213 NVDYIAHSZNLPMO-AWEZNQCLSA-N 426.878 2.374 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)CCN1C1CC1 1682962732 RDHQQZNPAOCGDW-NRFANRHFSA-N 433.512 2.099 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1683424538 FDDFNHAHEJWFSG-OAQYLSRUSA-N 439.541 2.115 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1689847340 XRSVFKUCBVWKAM-CTNGQTDRSA-N 431.544 2.484 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCN(C)C1 1690097847 QDGYLCMNCNNVHE-FQEVSTJZSA-N 438.359 2.405 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCOC2)n1 1690109242 LKFCEYJRKHAQSI-VQTJNVASSA-N 442.564 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H]2CCCCO2)CC1 1690145988 CHFHDTUYOURWEM-VQTJNVASSA-N 429.565 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccncc2Cl)CC1 1690146241 IVRQLWMIMLXQNG-SFHVURJKSA-N 442.951 2.235 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1690148911 ZQKPBFXWUJERIE-FPOVZHCZSA-N 436.560 2.045 30 10 IEEE C=C(C)COCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1690320327 QKDUTGCRJHCKHI-LJQANCHMSA-N 447.502 2.207 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1690338548 AUDARYKDLIUPCU-AWEZNQCLSA-N 440.729 2.411 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)C1 1690684491 GROATPRZJPROOC-LSDHHAIUSA-N 434.447 2.131 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(NC(C)=O)cc2)C1 1690685236 YTKOKCOEUBCXEI-FQEVSTJZSA-N 440.548 2.399 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(=O)NC)c2)C1 1690694586 RKVCBCDCLWDZIZ-HXUWFJFHSA-N 435.532 2.062 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1690719004 DXVDOXPGIUDTPD-OAQYLSRUSA-N 432.546 2.171 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1690742305 MFBIZJVGKPIIQE-UHFFFAOYSA-N 440.573 2.320 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1691005594 CKVHNAUEUAMGDY-HNNXBMFYSA-N 438.985 2.446 30 10 IEEE C[C@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1693646603 DQDCHLHANCTASR-JWHRZUGUSA-N 425.533 2.487 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1696096988 CEVOQRCXMXZNRC-HZPDHXFCSA-N 434.566 2.240 30 10 IEEE COC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697095097 FOBRETQWSDXYAO-QGZVFWFLSA-N 447.547 2.066 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OC)c1OC 1705574699 LBTCISBSGDTWLD-XMMPIXPASA-N 438.528 2.457 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1nc(C)no1 1705575209 CRXUKCWSNRWIOE-UHFFFAOYSA-N 428.294 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705932610 WTHFOKUKZPVFCG-CVEARBPZSA-N 436.607 2.446 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNc1nccc(C(F)(F)F)n1 1707892040 KAFZNVCNIBGBOL-UHFFFAOYSA-N 445.409 2.042 30 10 IEEE CCCOc1ncccc1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709869530 BHOKZZXHLJGEIP-INIZCTEOSA-N 433.520 2.195 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C 1710204550 CLYIAWCXEBAKEL-SJORKVTESA-N 442.589 2.313 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)Oc2ccccc2F)CCOC1 1710482228 CBCUYLNKIOUZDN-DRSNIGMVSA-N 445.495 2.266 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)c1 1711329611 YPGFWQPAWRNSSL-KSFYIVLOSA-N 444.511 2.046 30 10 IEEE CO[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1711546464 MYGPBMUSRZDUCT-HOCLYGCPSA-N 437.342 2.446 30 10 IEEE C[C@H]1CN(CCN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1712851870 SSPCBXFLYFVIFP-FGTMMUONSA-N 428.537 2.230 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1722289607 GKFVTVKCUFNDFJ-ROUUACIJSA-N 443.552 2.250 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722313444 VQFHXOQVZBYFCN-UHFFFAOYSA-N 438.576 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)c(OC)c2)CC1 1722446150 PHUMPQIGWVBPGO-UHFFFAOYSA-N 448.527 2.305 30 10 IEEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNS(C)(=O)=O)CC1 1722579849 UKGIHWAWNHYZGN-UHFFFAOYSA-N 433.578 2.426 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1722692383 KJJJAWIEOKJKGB-IBGZPJMESA-N 438.532 2.166 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOC[C@@H](C2CCC2)C1 1722700545 LXWUZAJRKJENIT-KRWDZBQOSA-N 430.578 2.189 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)C1 1722828550 DXDIHHXHTILWAM-FQEVSTJZSA-N 432.532 2.456 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccccc1OC 1727607006 HRJSUUMEJXPECE-KRWDZBQOSA-N 432.532 2.469 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1nnc2n1CCCCC2 1730828265 YPXISOXJGYYJCG-MRXNPFEDSA-N 428.541 2.108 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2CCCCCCO)CC1 1731184869 KJOQDSSMGVFAFN-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1740545116 NZAPNGHKULZXDT-OXQOHEQNSA-N 433.516 2.302 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1740551413 UMCOKNBAXAPZIN-NQIIRXRSSA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1740696490 VQXBFVPDXHEKHT-OAQYLSRUSA-N 440.592 2.207 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)OCC)CC1 1740700435 TULGQUWGFGYUME-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740715145 SSEWSGHGSMCEGS-UHFFFAOYSA-N 448.552 2.382 30 10 IEEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1740742740 AEIFALLGABKJFW-INIZCTEOSA-N 445.321 2.286 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740883213 MPZOHBSTOAPSBJ-UHFFFAOYSA-N 438.536 2.337 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@H](CC)C1 1740964155 JJFQQMKETZTJGR-MRXNPFEDSA-N 431.562 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C1 1740972872 NXLNRQHYEQSDCT-KNQAVFIVSA-N 430.553 2.305 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC[S@](=O)C(C)(C)C)CCOC1 1741127152 YAWRIOPLQFFJTB-YQCGKFSNSA-N 425.599 2.462 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(N)=O)c1 1741801436 CIZQNQNHJHFPOC-MRXNPFEDSA-N 428.500 2.402 30 10 IEEE CCc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)no1 1744469093 AWYOSSLRDDUVOZ-ZDUSSCGKSA-N 428.522 2.054 30 10 IEEE CCCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1745601364 FTOWNDXPVTWQFI-DQRAZIAOSA-N 448.531 2.279 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1748747917 OQXZMOHWNWUBQD-AVRDEDQJSA-N 427.936 2.480 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(C(N)=O)nc1 1748780383 VTEDBVYNAJZRBW-UHFFFAOYSA-N 425.290 2.319 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccccc1)N1CCOCC1 1748803089 OBFWRVFMMAFDLF-FKBYEOEOSA-N 439.560 2.145 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OCC)cc2)CC1 1748979138 VMMCSSRNNGVWAW-XMMPIXPASA-N 439.560 2.132 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749128783 ZRCUZMXFGHWPJR-MJGOQNOKSA-N 437.610 2.387 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1749154356 QDOBMVOLQGFKCU-HJPURHCSSA-N 438.532 2.134 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749189312 FVZLHEJMEKRHHA-HMXCVIKNSA-N 430.597 2.127 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749450893 WQKLGPJEALVJQO-GOSISDBHSA-N 441.532 2.383 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C(C)C 1749529892 OIEUFSNTKAXSBP-UHFFFAOYSA-N 449.559 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 1749737886 AHYYGLOTZCCGMT-JOCHJYFZSA-N 446.573 2.117 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@](C)(O)c1ccco1 1750646971 BKCVFWMSMOOFQD-AOMKIAJQSA-N 436.520 2.279 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751084087 GGMFZSYMJVTCPJ-VQYLBFNNSA-N 440.504 2.489 30 10 IEEE C[C@@H]1CN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1752402957 HJZOUOHSGUDVKQ-MJGOQNOKSA-N 430.578 2.160 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760120051 HCQVJCDYNXVCJG-KRWDZBQOSA-N 432.532 2.104 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(OCC(N)=O)CC1 1760158263 LFCAPBJECZJJKS-UHFFFAOYSA-N 425.533 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760335494 NHLAXNATSVSUTC-RDGPPVDQSA-N 440.610 2.413 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOCC1 1760335657 PIRNIRNDDFUBRS-FPOVZHCZSA-N 426.565 2.398 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCOC[C@H](C2CCC2)C1 1760525188 XIJXKGPHELITKQ-HXUWFJFHSA-N 439.560 2.433 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCCO[C@@H](C)C1 1760527572 AVJMNLWAJYKAJN-INIZCTEOSA-N 431.562 2.496 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1760874766 PAGSWQIXFOHVNW-PKTZIBPZSA-N 441.532 2.131 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC2CCS(=O)(=O)CC2)cs1 1762277293 CPLNSVLHTPVNBS-UHFFFAOYSA-N 434.591 2.199 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1766686877 GTTFLLNSVKHCCG-MOPGFXCFSA-N 429.546 2.399 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1767917596 UPZNGSLCTBSDQO-HHXXYDBFSA-N 425.489 2.153 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(F)(F)F 1768052027 DUBVJEWHBMCZQU-GVDBMIGSSA-N 448.449 2.499 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1768903259 IPUBRQQFWAIOSM-OAQYLSRUSA-N 443.529 2.188 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1769170728 DIGVQKWLIWASNX-HSZRJFAPSA-N 438.532 2.118 30 10 IEEE COCc1nocc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1770873321 BSYLVVGGUNNOJE-RDTXWAMCSA-N 442.451 2.469 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccccc1)N(C)C 1771224029 ZVIXGNKHNPGOPK-RLLQIKCJSA-N 428.537 2.034 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)CCC2 1851672609 RLTIVKCDXGTEMP-KRWDZBQOSA-N 431.493 2.216 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2[nH]nnc2-c2ccccc2)cc1 1852322441 XCXWDPXNBADRKP-FQEVSTJZSA-N 433.468 2.280 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c3ccccc3)CC1)OCO2 1852855871 VAPJIONZXMKDNX-OAQYLSRUSA-N 446.507 2.169 30 10 IEEE CCCCN1C(=O)CC[C@H](C(=O)N(C)C(C[N+](=O)[O-])=NC)[C@H]1c1cccc2c1OCO2 1853019028 UKBHHSVXDLMQBV-HNAYVOBHSA-N 432.477 2.259 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1858393499 HJQCTGQMFWLIJH-KRWDZBQOSA-N 430.464 2.422 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 1858422387 SURBYLKFJFRYDQ-GOSISDBHSA-N 442.516 2.057 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)s2)cc1 1859012950 JOCTTWVOTCMTMO-UHFFFAOYSA-N 426.903 2.422 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)cc1 1862757135 VKJNXJSLHYWSCI-GOSISDBHSA-N 440.408 2.342 30 10 IEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1C 1870151248 QHBROVOZEXKVLL-INIZCTEOSA-N 444.451 2.446 30 10 IEEE C=CCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870387521 HQOZUKQJWLUGMD-UHFFFAOYSA-N 427.501 2.441 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OCC)cc2)cn1CCO 1870700011 WUVOOJXWFZXPNW-UHFFFAOYSA-N 441.528 2.431 30 10 IEEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 1890625595 ODBOJRADQGWUNE-KRWDZBQOSA-N 444.384 2.362 30 10 IEEE CCN(CC)CC#CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1891286447 QSXSCFHYQAFPSI-UHFFFAOYSA-N 431.533 2.379 30 10 IEEE C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 2010126954 MNGUBOPKGCFYSR-GJZGRUSLSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC1 2124535498 MNSVMXWAPQUMHN-IRXDYDNUSA-N 449.401 2.480 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2247845855 WPMRGZBTQLVHQO-UONOGXRCSA-N 435.355 2.276 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2250703558 RSRUHHSKAUKHJB-YWZLYKJASA-N 442.387 2.350 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255626917 LYFNTIUBUFGDRB-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2255697465 HYEIRXRBXSPWCR-MRXNPFEDSA-N 433.358 2.454 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255700741 HOMUKZZDJHLWPE-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCCNOCc1ccccc1 2255815036 HPYNYHUXFFCJBH-UHFFFAOYSA-N 426.322 2.446 30 10 IEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255870536 MDLRUZOMLAJHFR-MRXNPFEDSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255884507 ZBXQIHJBGHIKRC-DLBZAZTESA-N 432.326 2.008 30 10 IEEE Cc1nc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)C[C@H]2C)ncc1B1OC(C)(C)C(C)(C)O1 2256621400 UMHGIJBQUPOUHA-XUSGNXJCSA-N 432.330 2.326 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256624603 OASDJSPSNVRRMM-UHFFFAOYSA-N 446.378 2.460 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267091539 JCIPSPGEVCEKFL-KKUMJFAQSA-N 446.357 2.227 30 10 IEEE CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267124625 NFSCXSHYXMKPRR-IBGZPJMESA-N 438.381 2.456 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 2267156506 KPSMLLVNRZVRRV-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267160203 OCFUSYBOACZXBR-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267274448 ANDCAOKSKNWKKD-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)OC1(C)C 2267275665 QRBJOVWIWSAANA-KDURUIRLSA-N 434.349 2.265 30 10 IEEE Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267510416 KYSUNTPYNWHZPU-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267542816 XOFWGILJSZIVDA-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)c2)OC1(C)C 2267584393 GBTPSQYHEGLVTE-HXUWFJFHSA-N 439.365 2.335 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2267882693 WEEOBWOCJNZVCL-LJQANCHMSA-N 436.365 2.418 30 10 IEEE N#Cc1cc(Cl)ccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270522132 MMWLXPUCMLOQKF-INIZCTEOSA-N 437.861 2.333 30 10 IEEE N#Cc1ccc(Cl)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270532883 WQXNGGSVPXBRPJ-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701449 UYIRBUCYZZXMGU-QAPCUYQASA-N 448.369 2.185 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccccn2)C1=C(O)c1ccc(F)cc1 2296563431 ZQGMLLVMRUONCE-FQEVSTJZSA-N 425.460 2.365 30 10 IEEE COc1nc(-n2cc(I)cn2)ccc1B1OC(C)(C)C(C)(C)O1 2301605702 PEGOXHVQZFUIBX-UHFFFAOYSA-N 427.051 2.180 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335449620 BTDNUCSTRNEKEH-JKSUJKDBSA-N 445.379 2.327 30 10 IEEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc(O)c2CN1CCN(CCO)CC1 2327592 WPOPCSYIKGHQDK-MOSHPQCFSA-N 425.441 2.027 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 29780255 YZXGWMIYBVNYOU-MRXNPFEDSA-N 431.489 2.388 30 10 IEEE COC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 109037022 PGCPSWKMYGBNMT-UHFFFAOYSA-N 429.498 2.084 30 10 IEEE CC(C)Oc1ccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1Br 169883614 UEEOWMHZMRBXDX-LSCVHKIXSA-N 441.307 2.376 30 10 IEEE CC(=O)O[C@@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@]2(O)C1 253530156 JLZAERUVCODZQO-AHUUSZAASA-N 446.540 2.469 30 10 IEEE biogenic C=CCn1c(=NC(=O)c2ccc(OC)cc2OC)sc2cc(S(N)(=O)=O)ccc21 254698058 KFDBMDPTXKEBAW-UHFFFAOYSA-N 433.511 2.295 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 409492413 QCAQPPASBANOMY-RTBURBONSA-N 430.521 2.185 30 10 IEEE COc1cnccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 438626745 SLHZZFSYKJSMQH-HNNXBMFYSA-N 428.514 2.240 30 10 IEEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446629915 WVLVEIWGGRDGGA-CHPDAQJUSA-N 430.505 2.395 30 10 IEEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(CC)CC1 460781148 FNLKFYFPESVLAF-UHFFFAOYSA-N 432.594 2.125 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)o1 471210542 AEFDTCGWUXGAPX-UHFFFAOYSA-N 446.532 2.201 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 472581702 PACSBRXGNRJOPZ-SFHVURJKSA-N 445.472 2.266 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 504193089 DOVPUGIUMBKFEX-HXUWFJFHSA-N 425.510 2.206 30 10 IEEE COc1cc2c(c(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c1)O[C@H](C)C2 506802978 FDSCNKLQNYMMGC-MRXNPFEDSA-N 427.526 2.397 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 508999961 IGTNBTKDBHTGST-INIZCTEOSA-N 447.561 2.153 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 515661347 VKQGYVSRIZTHDN-UHFFFAOYSA-N 446.557 2.394 30 10 IEEE CCCCN1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 524570585 NXYSJYNELPZXMP-FQEVSTJZSA-N 447.605 2.229 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)c1 525265775 JOCKDZSDEYZMET-SFHVURJKSA-N 440.565 2.353 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)ccc21 544732108 ZVEDDJZKHJJHQK-NRFANRHFSA-N 445.523 2.161 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)oc3C)n2C[C@H]2CCCCO2)CC1 559193969 JPHSZBNDGDIGDU-LJQANCHMSA-N 442.564 2.148 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)C1=O 561999577 NICPRYYZGXINMI-QZTJIDSGSA-N 447.557 2.284 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 642721182 GHEYJNDRMWKGRY-MOPGFXCFSA-N 447.561 2.234 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669803535 PAPYMPSKENYAEU-UHFFFAOYSA-N 435.532 2.497 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(C)c1 685545423 CBZXGMYBWMZSGM-RBUKOAKNSA-N 431.562 2.447 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 731400986 IFIFUXYOJNIFCX-IBGZPJMESA-N 441.509 2.381 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 733889981 DTVNGUYVXBVFGT-ATQAJOFPSA-N 447.333 2.308 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cccnc1N1CCOCC1 744600904 AUCJHYSIYHEIOX-QGZVFWFLSA-N 438.484 2.419 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CC[C@@H](C)C2 746036855 GPRYMTHMJDRNKS-UKRRQHHQSA-N 444.557 2.187 30 10 IEEE C[C@@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)Nc1ccccc1C#N 750427721 VMODTSGKTGMJIL-LLVKDONJSA-N 441.245 2.480 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)s1 752192802 AHGCFXCUNUTORG-ZDUSSCGKSA-N 431.583 2.226 30 10 IEEE C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 754903402 GAAQKUABBYXFRX-NEPJUHHUSA-N 435.889 2.282 30 10 IEEE COc1ccc(CC(=O)OCC2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 755977238 QOUOGYUXBMBKLP-UHFFFAOYSA-N 436.530 2.132 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 765057046 ONEUXGHOFCCKSP-UHFFFAOYSA-N 437.591 2.200 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(S(C)(=O)=O)cs2)cc1 767289157 KWIZGYDTQSQKLP-MNDPQUGUSA-N 441.556 2.217 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)NS(=O)(=O)c2scnc2C(=O)OC)cc1OC 768025485 PAVRQOVWNBQRBG-VURMDHGXSA-N 438.483 2.021 30 10 IEEE C[C@H](CC(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 771676072 GEADYPCOEGBSNS-CLCXKQKWSA-N 427.526 2.354 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cc(F)ccc2OC)C1=O 777468881 YWKBQCXLXYFVDG-IIPXAIGGSA-N 430.505 2.408 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 780864237 YJIJNOYBMARZTP-HXUWFJFHSA-N 437.525 2.480 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CCCn2ccnn2)C1=O 784118567 PAWKWYKRKOQOBL-AWEZNQCLSA-N 440.451 2.455 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](c2ccccc2OC)c2nccn2C)n1 788851883 IOVAMFNUQQWJKM-NRFANRHFSA-N 436.516 2.206 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)n1 789029483 ILFLKGVLKKEGLI-IBGZPJMESA-N 425.533 2.352 30 10 IEEE COc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 789889721 AADLNOWSKCUZQN-UHFFFAOYSA-N 449.540 2.248 30 10 IEEE CCOC(=O)[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)C1C2CC3CC(C2)CC1C3 794174428 YZDPRYGRLNIICE-VHCBFAIOSA-N 443.544 2.271 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CCN1C1CC1 800605539 NXVVVVSNRZDTEE-AWEZNQCLSA-N 428.386 2.294 30 10 IEEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cnccn3)csc2=Nc2ccccc2C#N)C1 803182440 VYNRIFAEIBLOQF-HNNXBMFYSA-N 440.554 2.392 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)n1 805083344 UOJBGUOUHFWQAJ-UHFFFAOYSA-N 435.449 2.021 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 809886452 ZQFAHMJBRSKBPI-HNNXBMFYSA-N 442.511 2.160 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 809886665 LTGJEXAQCSJAKD-ZACQAIPSSA-N 446.552 2.020 30 10 IEEE CN(C)c1cc(C#N)cc(C(=O)NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 816044893 UPKIKJXWBRGIEI-UHFFFAOYSA-N 436.534 2.083 30 10 IEEE CCCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916875680 HKMCCAWPKYUZIR-IAGOWNOFSA-N 438.550 2.098 30 10 IEEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1129762875 FTNVXIVOKHQQBU-RKVPGOIHSA-N 427.892 2.335 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 1157127125 HYFYMBZUMZCDQX-QAPCUYQASA-N 448.976 2.340 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 1162003439 SOLZHKUSESDOCO-RDJZCZTQSA-N 435.546 2.021 30 10 IEEE COc1cc2c(cc1OC)C(C)(C)N(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 1175783209 OEBHIVVAKJPVCL-FQEVSTJZSA-N 428.577 2.489 30 10 IEEE CC(C)(C[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O 1226109927 DBITWFSZJATWRC-PKOBYXMFSA-N 425.533 2.377 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC1)C2 1254481919 OZCTVTLPYCCWLV-INIZCTEOSA-N 425.470 2.163 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1286314635 FUOXACQPDBXUIE-UHFFFAOYSA-N 441.532 2.476 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(OC)C1CC1 1286376642 MYPDBHOTZCPLJF-HTAPYJJXSA-N 433.553 2.471 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cl)=C(Cl)C1 1286507922 DDUULYDACVEKKB-GFCCVEGCSA-N 435.402 2.446 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1286521587 ARBZCNYPYBTETD-CNNODRBYSA-N 433.622 2.293 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(C)=O)CC1 1286537419 BQPZZLOWFNSCCD-INIZCTEOSA-N 426.359 2.433 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286542707 WZFYPLQUGYVSFI-GVDBMIGSSA-N 440.386 2.238 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1288998191 AYXAJCLSTWTHHV-INIZCTEOSA-N 430.459 2.489 30 10 IEEE CCc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1292526281 FLSSDGPVFGHZPZ-HZSHHLKBSA-N 436.516 2.259 30 10 IEEE CCc1nnc(N(C)[C@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1292812921 BNHSCBXERWCRSC-ZABCRHKISA-N 449.559 2.078 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1295248799 KWVLUPBTHQRUAJ-IAGOWNOFSA-N 443.552 2.411 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1295876458 DBVRDOMVPSEPLO-UHFFFAOYSA-N 449.487 2.328 30 10 IEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)CC1 1296381317 AODKYHIWVYIPJP-QGZVFWFLSA-N 442.520 2.290 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CN(Cc3ccccc3)C[C@]23CCOC3)n1 1297350872 YVVMRBNHERIIMB-NOZRDPDXSA-N 436.556 2.030 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1299188145 NOKBWKLASWLBQD-SFHVURJKSA-N 442.493 2.123 30 10 IEEE Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1299877721 MRSLNNRMRRJTCZ-GJZGRUSLSA-N 438.550 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CN(CC(C)C)CCO1 1300292418 YNHIDWHETXCRBY-PKOBYXMFSA-N 425.533 2.489 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1300322465 UBGHIUJBLVNNQX-INIZCTEOSA-N 432.463 2.478 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300372456 IDRUIZUXALDUSE-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCOCC1(C)C 1300521378 WLTHWRWYZBUUJF-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccn(Cc2ccccc2)n1 1300590785 HFPHOHGXBYGQRK-UHFFFAOYSA-N 441.539 2.157 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(C)c1 1300591992 YKFPRMKOBFDQFN-UHFFFAOYSA-N 443.555 2.341 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300622243 YWBDCEJXXBXFHZ-QGZVFWFLSA-N 440.573 2.178 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1300649290 KIDXHRRKMHKYGR-ICSRJNTNSA-N 444.532 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCCC2)CC1 1300690808 JYFRDKJPWCGFAG-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1300710745 JZAOHVWXGPLQGR-FAKFISEUSA-N 431.581 2.105 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2OCCC2(C)C)CC1 1300722384 JKUZWJROPUWYIR-OALUTQOASA-N 429.565 2.301 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1300830029 CHXGTEDLHZUKBI-NEPJUHHUSA-N 438.417 2.129 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](OCCOC)C1 1301484951 PCHNKMDTAIGLGQ-QGZVFWFLSA-N 425.489 2.235 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC 1301502304 FYZQFKGIKFVQLC-SJORKVTESA-N 448.568 2.268 30 10 IEEE CC(=O)Nc1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)cn1 1301787623 FPIFJPRVHHOLOZ-GOSISDBHSA-N 435.463 2.138 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C#N)o2)CC1 1301884885 FJQWJIOIZJRAIV-UHFFFAOYSA-N 437.460 2.135 30 10 IEEE CSCC[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1302721773 HIURQXRIJWCXSY-MEUCICPISA-N 441.561 2.444 30 10 IEEE CC/C=C/Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1306482269 UWFDFVJBSMMSOB-NAASZUNDSA-N 440.573 2.345 30 10 IEEE CCC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1306588197 GSHGYPDJCCDLTE-KRWDZBQOSA-N 437.552 2.329 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1307872278 LXQQFAYRYVHGJM-IBGZPJMESA-N 429.586 2.486 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(N3CCOCC3)CC2)n(Cc2ccco2)c1C 1307927085 DIXXMNSCKAMILN-UHFFFAOYSA-N 425.533 2.353 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1313557494 HNZOPMRTHOAUQK-INIZCTEOSA-N 426.521 2.211 30 10 IEEE CCO[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1314058259 CQEOIPVVVONKNB-RBUKOAKNSA-N 430.553 2.228 30 10 IEEE CN(CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1)Cc1ccc(F)cc1 1314860116 GXNFPQVWLLNIMY-OAQYLSRUSA-N 426.475 2.392 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1318868624 BLOBKTZIWGTVRN-XMMPIXPASA-N 445.479 2.422 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCCCC)CC1 1358929973 LNPCOWLIJGZKDQ-SFHVURJKSA-N 449.621 2.259 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1cccs1)N1CCOCC1 1358954777 VZSPNSXUUYWSMG-BJLQDIEVSA-N 445.589 2.207 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCN(CC)CC1 1359011905 QJVJXOZDQHYIJW-UHFFFAOYSA-N 434.592 2.004 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@@H]1CC 1359048880 CVIRBRCGSYPZDP-CVEARBPZSA-N 425.624 2.414 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1359060245 OWFQQBXWWLTWCD-UHFFFAOYSA-N 449.584 2.383 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CC(OCC)C1 1359109594 HQSXECMCUHARLH-UHFFFAOYSA-N 438.536 2.253 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359124763 BZTBPNAZZJCVKO-OAQYLSRUSA-N 443.508 2.136 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359190174 HFONRPXZJJCCBW-UHFFFAOYSA-N 434.548 2.453 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1359298698 JAJZQEBCVFSSGS-CVEARBPZSA-N 435.532 2.212 30 10 IEEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 1437973305 VJASWYUPNRORSE-HXUWFJFHSA-N 425.510 2.386 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cccc(OCC#N)c3)CS(=O)(=O)[C@H]2C1 1441543928 GTPVKQIIIACBPT-OLMNPRSZSA-N 449.529 2.198 30 10 IEEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1449232147 WEYFLBZMMWOVBG-DLBZAZTESA-N 433.553 2.135 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)CC2(C#N)CCOCC2)cc1Br 1449755348 JJAGSEAQXDLKRX-OAHLLOKOSA-N 425.323 2.435 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 1454223969 VYNORMKOLSOALZ-GVDBMIGSSA-N 436.940 2.399 30 10 IEEE C#CC1(F)CN(C(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)C1 1455274115 LPVBDQALCAIIML-QGZVFWFLSA-N 426.360 2.158 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2ccc(I)cc2F)c1C#N 1457567538 INDYOSVQAUOQPU-UHFFFAOYSA-N 427.221 2.429 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 1469535990 VXRASMKAVQZKCB-HXUWFJFHSA-N 426.542 2.088 30 10 IEEE N#CC1(CNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CCOCC1 1470423697 LLPZUIUNBUWJTD-UHFFFAOYSA-N 425.489 2.175 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)CO1 1473847290 ZDSHBTFPIQFDRZ-MOPGFXCFSA-N 437.581 2.454 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1(C)C 1504521003 SWFUHPDPDRVJPW-GOSISDBHSA-N 436.520 2.259 30 10 IEEE COCc1nocc1Cn1c(COc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1504662879 WYRZFPNATDOOQL-NRFANRHFSA-N 442.451 2.490 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1504888657 XRWYYDWZOLCIES-KRWDZBQOSA-N 448.568 2.284 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCC[C@H]2C)c1 1507550021 DKHNVOWJJWQARC-ROMRWMGNSA-N 437.544 2.389 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccc(C(F)F)n1 1507609819 BUUCSAHDNXQZRG-UHFFFAOYSA-N 439.474 2.297 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1507634171 LWJLGVSEMOPFOY-SFHVURJKSA-N 436.965 2.186 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635026 OZAPEJMVBGYPIP-VQIMIIECSA-N 447.630 2.040 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccnc(SC)c1 1507710551 QHBFYPMJZYBXNI-UHFFFAOYSA-N 440.529 2.257 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)(F)C1 1507775687 UEDHYIOZAJKRBR-SNVBAGLBSA-N 442.330 2.278 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1507863102 BTTZJAFXBZSGDS-OAHLLOKOSA-N 434.953 2.442 30 10 IEEE C=C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507889876 SUQVEKFXYDLBHI-UHFFFAOYSA-N 438.557 2.377 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507964545 CAXYMIVNZCBUMV-HXUWFJFHSA-N 440.552 2.044 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(F)(F)F)C1 1508116444 RTEFTBZGXZBUSM-STQMWFEESA-N 425.477 2.012 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1515508905 GGAIUBVBOSHIRM-QFBILLFUSA-N 430.578 2.170 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1520539706 TVVJQOFXOVHRAS-QGZVFWFLSA-N 448.618 2.335 30 10 IEEE Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1522359710 AUVJQDJELZPFMS-UHFFFAOYSA-N 426.468 2.361 30 10 IEEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1533173662 CFWGWYBUKAVTHR-UHFFFAOYSA-N 436.497 2.299 30 10 IEEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1536664923 OSRWHMBIMJPLBH-WMZHIEFXSA-N 436.443 2.064 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1538982776 MLSREBDIAHBWHE-DLBZAZTESA-N 427.567 2.389 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N(C)C1CC1 1539190555 MMSUQPRKARXMRG-NRFANRHFSA-N 435.620 2.195 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1539224649 IRGQBVUBRFZNRI-LJQANCHMSA-N 441.582 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](COC)OC 1539301593 RLRROTJAMXLQAU-INIZCTEOSA-N 434.338 2.170 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CN2CCCC2)CC1 1539475405 FDWBGBNGXSMIIA-LJQANCHMSA-N 435.576 2.038 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1539619023 CQOGXHUTRHNCLC-OALUTQOASA-N 429.546 2.279 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539744723 UQTADQABWXSYNL-OAQYLSRUSA-N 438.576 2.487 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539917505 DYNQVCZUEZTUGG-SQNIBIBYSA-N 446.596 2.199 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CCOC)C1 1540892577 OEXVCDYEZGSDJK-SJORKVTESA-N 426.583 2.024 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1541888519 DBRAYZOZIXFKCM-BBRMVZONSA-N 439.488 2.110 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)cs1 1542913587 CSGLIVAXCNZWCH-FQEVSTJZSA-N 425.493 2.223 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(C)CC2)cs1 1542926388 YKJGXRBISTYSNS-IBGZPJMESA-N 429.594 2.485 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 1544510747 YQQTVIQDOZIITG-LJQANCHMSA-N 427.526 2.186 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1546286927 VRYKABMCWHKUGF-LJQANCHMSA-N 430.350 2.449 30 10 IEEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)o1 1546361701 GFZNHCYQLCQBEQ-UHFFFAOYSA-N 449.515 2.019 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](OC)c2ccc(F)cc2)CCOC1 1547918677 GTTDNEHKDRJWHH-WOIUINJBSA-N 445.495 2.186 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1548125812 HIIQOOWWVHPRNE-LAUBAEHRSA-N 432.500 2.232 30 10 IEEE CNC(=O)C(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1554376812 FPTCNRWHUXDGBF-QHCPKHFHSA-N 434.548 2.419 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1554787616 FWPUUUHCPFVNNP-INIZCTEOSA-N 445.545 2.137 30 10 IEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1555154270 AKXUHWYFXNDITC-JJCDCTGGSA-N 429.546 2.255 30 10 IEEE N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1556080739 RNMNQUYIDAHHMN-QGZVFWFLSA-N 429.498 2.124 30 10 IEEE CN(C(=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)c1ccccc1 1556413832 ZVLIDSOCNATQQK-HNNXBMFYSA-N 429.473 2.248 30 10 IEEE C=CCOC[C@H](NC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1568154676 OLVYVNVRJGBCNL-HNNXBMFYSA-N 437.493 2.263 30 10 IEEE C#CCO[C@H](C)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1583836520 GJFVRMYSQLYMDZ-INWMFGNUSA-N 430.398 2.236 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](CO)[C@H](O)C2CCCCC2)CC1 1586429767 BVXBNPMNMCNKEP-UYAOXDASSA-N 442.516 2.441 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(O)cc1 1587989264 IAWCYEWJYZNPET-GOSISDBHSA-N 427.505 2.410 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)[C@H](C)CC 1588124994 XWRANFQAIQIVSY-YLJYHZDGSA-N 432.528 2.326 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)c1ccccc1 1594949211 UAKKYBCTEKYJAI-UHFFFAOYSA-N 429.502 2.102 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595476876 OLUCGPLYHNXHLP-MBSDFSHPSA-N 438.532 2.153 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1595544580 KPHGKWHBAYKUDH-ROUUACIJSA-N 446.596 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)CC2(C#N)CCCCC2)C1 1597577079 QCGCMPJZWGFKKW-INIZCTEOSA-N 427.567 2.391 30 10 IEEE CC(C)C(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1598114217 HZRBXIBZHJXTFT-OAHLLOKOSA-N 445.955 2.372 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1617915409 AMYXWTFGBWTBCM-RBUKOAKNSA-N 427.501 2.038 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2Cc2ccc(C#N)o2)cn1 1618391538 DHEFCRWUTWYYIE-MRXNPFEDSA-N 436.520 2.323 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C#N)o2)CCO1 1618693991 PSFSIZMEBZRFJB-QGZVFWFLSA-N 426.864 2.063 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCOCC(F)F)cc1 1620350617 MPDVKRYXOHZJIQ-UHFFFAOYSA-N 446.502 2.399 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2I)o1 1626249990 RPKCGXUXRVOWLK-UHFFFAOYSA-N 445.238 2.258 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)s1 1627293850 UACJNLGDSHQFPN-AWEZNQCLSA-N 435.575 2.088 30 10 IEEE COc1cc(OC)c(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(OC)c1 1628776657 PCVICXJHAGHQKR-UHFFFAOYSA-N 436.461 2.121 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC(c4ccccn4)=NO3)c(C#N)c2N)cc1 1634947793 YXRNWFMOYHALSB-NRFANRHFSA-N 429.484 2.272 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(C(N)=O)C2)c1 1636235785 LYZWHGFLTOBGPT-UHFFFAOYSA-N 433.917 2.279 30 10 IEEE C#CC[C@H](CO)NC(=O)COc1c(I)cc(Cl)c2cccnc12 1637986080 KFNFZNQEKNOMDW-SNVBAGLBSA-N 444.656 2.372 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1640491568 NZGDYKOWSSLNHY-IRXDYDNUSA-N 434.541 2.375 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 1640526578 QBRLFWPTSKFCDQ-JTSKRJEESA-N 447.557 2.118 30 10 IEEE C=CCn1c(SCC(=O)N[C@@H](CO)c2cncn2C)nnc1-c1ccc(Cl)cc1 1641454363 UKHORXLQPGKVHQ-HNNXBMFYSA-N 432.937 2.460 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@](O)(CN(C)C)C2)n(-c2cccc(F)c2)c1C 1654040955 VDFWKSRNZJBMPT-QHCPKHFHSA-N 427.524 2.432 30 10 IEEE CS(=O)(=O)c1cccc(Oc2ncccc2CNS(=O)(=O)CC2(CC#N)CC2)c1 1654256660 GWZVXPFKQRPYHO-UHFFFAOYSA-N 435.527 2.391 30 10 IEEE C#C[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)C1 1654867989 OSYIOXXHXPSVDX-GOSISDBHSA-N 437.544 2.210 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)n(-c2cccc(F)c2)c1C 1655802464 PHFIQVOFPHOMFQ-KSFYIVLOSA-N 444.532 2.410 30 10 IEEE COc1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1S(C)(=O)=O 1678445968 ACYTURFBIPWNLM-UHFFFAOYSA-N 432.477 2.464 30 10 IEEE C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(C)(=O)=O)cc1 1684673703 HHGLDNUHPIKLCF-MAUKXSAKSA-N 428.514 2.323 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCS(=O)(=O)c1ccccc1 1689868615 MAGAYXWEFHZJRF-BJLQDIEVSA-N 446.573 2.324 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689980397 QYMZRMVXRKQYKA-ICSRJNTNSA-N 441.601 2.479 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CC=CCO2)n1 1690109357 OXMMQLFHYDQYOK-HXUWFJFHSA-N 433.516 2.168 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC2(C)COC2)n1 1690109368 PCLOSHVWSSZZFS-UHFFFAOYSA-N 435.532 2.168 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1690170529 MEPDFNMTZPVKQN-AVRDEDQJSA-N 425.558 2.002 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1690497080 GZQCJQQYGJPBFM-ZDUSSCGKSA-N 439.504 2.260 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1691001755 OAYUCPJMFDWYML-LBPRGKRZSA-N 427.431 2.096 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2cnnn2C)CCOC1 1692575914 KWGVMNSCNOAJHT-JOCHJYFZSA-N 436.520 2.004 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCOC1 1696179741 ZSHBZFCBTUYNJA-ZWKOTPCHSA-N 427.505 2.411 30 10 IEEE Cn1cc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCCCCO)cn1 1696853479 QDSNUNOQJNYGFQ-UHFFFAOYSA-N 448.575 2.425 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1698299045 YKIRTCQIVDYDIF-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C)ccc1OC 1705599044 UQSAFUUNQFWACI-FQEVSTJZSA-N 440.569 2.203 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(C)(C)C)cs2)CC1 1705638549 OAUMNJWUXHPLFI-UHFFFAOYSA-N 436.589 2.487 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1705660550 YAVKIGXFQUZFAC-UYAOXDASSA-N 438.601 2.306 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705663208 ZMBYTCRGXWUUKA-IBGZPJMESA-N 432.575 2.031 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1705663816 QUNUYEHEAFZYJS-UHFFFAOYSA-N 432.615 2.443 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1705736992 HROFGEGAZNOOLU-AWEZNQCLSA-N 434.484 2.472 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1705860333 HIFXFLOWFGZUTP-UHFFFAOYSA-N 443.573 2.284 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccn(C)n1 1705872040 JFDNSKBVKOBKHF-UHFFFAOYSA-N 426.550 2.198 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(COc2ccccc2)CC1 1705894779 KWGZHAKYJZVRFD-UHFFFAOYSA-N 440.548 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2ccc(O)cc2C1 1705936158 KVMHEFOQFIYFPK-KRWDZBQOSA-N 432.546 2.041 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1705942825 FYHXMKOSWNLOTG-UHFFFAOYSA-N 431.610 2.146 30 10 IEEE Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1707009226 GQGOCRCCPBGQEA-UHFFFAOYSA-N 445.574 2.157 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1707504378 CPPXIJGYHLJLMC-QFIPXVFZSA-N 440.454 2.494 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1709835880 GVEFWHLVELWANQ-IRXDYDNUSA-N 426.521 2.259 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1 1712497307 LGERMRSJWGNFPG-DOTOQJQBSA-N 426.521 2.111 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CC=CCO2)cc1 1712880366 GVBBKXJCQMAGSW-ICSRJNTNSA-N 436.516 2.166 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@]1(OCC)CCOC1 1722340511 APVUGSOJUXEUHJ-KNQAVFIVSA-N 428.537 2.138 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722341371 DQBVIFMDSRCJLA-AABGKKOBSA-N 431.581 2.404 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722483473 AJEOKSVWXGXWRD-MRXNPFEDSA-N 442.321 2.281 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722537562 CLSQEESTTAHDCN-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722621465 VGFMLXBNTIRHOJ-UHFFFAOYSA-N 446.515 2.282 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1723020618 WYGRHKXKNKTFPJ-AWDQROCPSA-N 443.529 2.478 30 10 IEEE COC[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730444931 CISVWJYVHFMBLS-INIZCTEOSA-N 426.569 2.458 30 10 IEEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1730486247 IMPUCGPSXDTJCF-OAHLLOKOSA-N 439.495 2.307 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C1 1730900451 LRCNKCVSHSJSHJ-FQEVSTJZSA-N 433.516 2.400 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1731185419 BNYPHWVUXRTRIZ-INIZCTEOSA-N 439.486 2.243 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1740724730 CMZRZAXWKKBKFS-DHIUTWEWSA-N 429.565 2.325 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1740725149 NEXJCMJSGLVFSL-OPAMFIHVSA-N 443.573 2.058 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740794861 JEUYFSXBZYIACX-INIZCTEOSA-N 433.582 2.115 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1740962193 VPQPLKZCUITMLA-UHFFFAOYSA-N 448.575 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1740987866 NMPYTMZFUSINHL-JOCHJYFZSA-N 446.573 2.104 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1741079992 BSVAKYMIKXGDCG-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1743383202 KDISFGXDHBMMEO-MWTRTKDXSA-N 441.532 2.192 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1743408213 ZJUKCMFCJGKFNS-OALUTQOASA-N 449.559 2.226 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1743886638 BIGPYOWQZLYWBJ-UZUQRXQVSA-N 438.532 2.117 30 10 IEEE CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1743995661 ZXBTYMCHNBUWLZ-NJYVYQBISA-N 446.596 2.038 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1747371618 QMMGXXNQSIZDJR-UHFFFAOYSA-N 434.548 2.180 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1748831118 HICCVRLQYJWNOI-FPOVZHCZSA-N 438.553 2.403 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCN2CCCC2)cc1 1748841343 ZEKZUPJJEFIHSF-UHFFFAOYSA-N 443.555 2.274 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1749044871 XFBBTOKBAFDART-UHFFFAOYSA-N 441.605 2.367 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(CS(C)(=O)=O)CC2)CC1 1749323685 JEPGDDZCJFNPRD-UHFFFAOYSA-N 437.610 2.424 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CC1 1749342646 KMLGXIUOVNOCHJ-GOSISDBHSA-N 438.594 2.168 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1749460687 FIYHRENGYVBQSX-UHFFFAOYSA-N 434.504 2.242 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749604296 HDHXZDWUKSEEOL-WBVHZDCISA-N 428.924 2.010 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC2CCCCC2)C1 1749705840 KQPZYAANOVVTBQ-IBGZPJMESA-N 427.553 2.299 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC[C@@H]1COCCO1 1749806058 GJAADCJFVKVPOM-NHCUHLMSSA-N 441.532 2.112 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1750914369 MUMYBSNYNLHMGX-UHFFFAOYSA-N 436.472 2.337 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC[S@@](=O)C(C)(C)C)CC1 1760263217 SFDOEMWYIIDHDW-SSEXGKCCSA-N 427.618 2.366 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760328638 YWVBKUVWZHZZGY-TVFCKZIOSA-N 426.583 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760556630 KOTPBRANHQHKGW-UHFFFAOYSA-N 449.621 2.060 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1761283968 SYRDBSWFAVNITO-CVDCTZTESA-N 446.596 2.169 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(F)(F)F 1761507709 JNTPDGAQFQILQO-CFVMTHIKSA-N 442.467 2.194 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1764460049 LUECAQRTNFSOTO-WOJBJXKFSA-N 426.569 2.133 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)C1 1766158388 PDKUIFMJHZADBZ-XPKSXUOMSA-N 429.496 2.453 30 10 IEEE CNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769104711 CRTHWTKFAPFFGJ-UHFFFAOYSA-N 425.537 2.174 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C/c1ccccc1 1769845548 NRDJSQDYUCCCGZ-NTPDMAOXSA-N 429.546 2.260 30 10 IEEE COCCOC1(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1770073641 VZFSEHUTKRVFNR-YLJYHZDGSA-N 437.516 2.174 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCC(O)CC1 1770427933 CMWFPOVQHGTYGM-GOSISDBHSA-N 426.565 2.320 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1770756519 IAZHDQCHXBPMLY-KSZLIROESA-N 444.486 2.297 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCSC(F)(F)F 1771219451 MMASUYSIPRUIGT-UKRRQHHQSA-N 448.515 2.432 30 10 IEEE CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1772852142 BVRWCJXHFOSHAY-AWEZNQCLSA-N 437.342 2.326 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCc4nc(C#N)ccc43)C2)cc1 1848821967 QXURIRAJEYCELH-MRXNPFEDSA-N 440.525 2.342 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 1851876103 VMBZLZIROVJHRS-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE Cc1cc(C)c2c(=NC(=O)CN3CCC(COc4cc(C#N)ccn4)CC3)[nH]n(C)c2n1 1853103086 JFFZFZUDCFCOQB-UHFFFAOYSA-N 433.516 2.003 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)c1 1854052531 QVBJMTOQTBPOMI-SFHVURJKSA-N 449.960 2.048 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)cc(-c3ccccc3F)n2)CC1 1858570452 HOMDRWZEDUKYAK-UHFFFAOYSA-N 439.472 2.371 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862595084 YTYSHNDZRMMGKS-GOSISDBHSA-N 425.397 2.015 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862740136 PAJUQXHLACVDBQ-APPDUMDISA-N 427.369 2.462 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cccc3c2C(=O)N(CC)C3=O)nc1C 1865825351 WDOXHNLZZPZLLV-UHFFFAOYSA-N 429.454 2.428 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CCC(O)CC1 1870701468 YLPAPBXEIVQIHO-UHFFFAOYSA-N 441.528 2.407 30 10 IEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCc3ccc(O)cc3)ncnc21 1875231607 VZVKINKREBXRFX-UHFFFAOYSA-N 434.500 2.239 30 10 IEEE CCCn1ncc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1C1CC1 1890824274 DBMLUMYWNZLJMJ-UHFFFAOYSA-N 427.593 2.043 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)C1 2020889359 VOLQXVSGDWXCJT-HOTGVXAUSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2049161994 ISKPVXIBGVKFIN-ZWKOTPCHSA-N 432.370 2.446 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2247819938 LBOZXBIXSBOBET-CVEARBPZSA-N 425.379 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247832402 OPTUANJIJSNSAC-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255615245 JPDDLHHPTBONFN-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255945092 QDJLEONZWMGIGY-JKSUJKDBSA-N 432.326 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256597753 JKGIXDSRIBIXSR-AWEZNQCLSA-N 449.382 2.482 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1)C1COC1 2256675374 GJHHECSUOKTECG-KRWDZBQOSA-N 432.326 2.464 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258892977 ZIBYILWVAMSUNV-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE C=CCCC1(C(=O)NCCn2ncc(Br)n2)CN(C(=O)OC(C)(C)C)C1 2266315453 NLYIIGNFIQINGO-UHFFFAOYSA-N 428.331 2.360 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2267182016 AKGYPHVNGDBKHW-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C1)C2 2267513711 XKSBKSZBHWIUMI-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 2267530161 WEHKHINJQTTZIP-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2271964279 ZFBLTQAYMCSIKL-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccco1 2296625784 GHMQEGOILWXBOC-GOSISDBHSA-N 425.441 2.098 30 10 IEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(O)c1 2330778331 BMFIMDGZZVHNRP-UHFFFAOYSA-N 432.550 2.243 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 27050308 AVHKNYGDBCNOEW-OAHLLOKOSA-N 431.489 2.434 30 10 IEEE C[C@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)n1cnc(C#N)n1 410009429 JTHBZZTWENPQEN-PRHODGIISA-N 432.200 2.342 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1C#N 427307116 FRTUEOWVABZMSY-UHFFFAOYSA-N 440.529 2.243 30 10 IEEE CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443489674 WAFDLUXQLBREHG-KRWDZBQOSA-N 441.395 2.111 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCC3(N4CCCCC4)CCN(C)CC3)CC2)c1C#N 460402327 OQJOMQVHGVUVET-UHFFFAOYSA-N 445.637 2.105 30 10 IEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCOC1 461706794 VQDHJAKMWLCTMR-RBUKOAKNSA-N 427.505 2.007 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)CC2)c1 462052805 ZCOMTKTVWRWVNY-UHFFFAOYSA-N 440.935 2.475 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 472587749 XDICDXUHXOFXFA-UHFFFAOYSA-N 435.452 2.442 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 491000816 XLBBTWKWKAZFSU-GHTZIAJQSA-N 430.512 2.205 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 502551721 MRDMBBRIMGMIOV-LJQANCHMSA-N 441.575 2.279 30 10 IEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 508732117 GBYCOZQVHYQGJC-KRWDZBQOSA-N 425.541 2.154 30 10 IEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508886706 DFOGWSJCSLDVOI-FQEVSTJZSA-N 447.605 2.240 30 10 IEEE CN1C(=O)c2cccc3c(S(=O)(=O)N4CCN(c5ncccc5C#N)CC4)ccc1c23 513119564 AEMYCLICCRMYIY-UHFFFAOYSA-N 433.493 2.207 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)CC2)nc1 543880447 NYZQVCHZXOPITM-UHFFFAOYSA-N 442.273 2.009 30 10 IEEE C=CCNS(=O)(=O)c1cccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1 546408632 ZTMMFWCYWAAYSC-UHFFFAOYSA-N 427.486 2.100 30 10 IEEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)CC2=O)cn1 549513446 NTOZYQRZNIGLFK-UHFFFAOYSA-N 438.495 2.452 30 10 IEEE N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1C(F)(F)F 549794806 VNUWVHZKWNHZAK-CJNGLKHVSA-N 425.407 2.199 30 10 IEEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 553696803 KSBCVDBPMAWNKD-UHFFFAOYSA-N 441.557 2.094 30 10 IEEE COc1cccc([C@H]2[C@H](NCCS(=O)(=O)c3ccc(C#N)cn3)CCN2C2CC2)c1 554742394 PJXDPMBOBJYNBV-IRLDBZIGSA-N 426.542 2.303 30 10 IEEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 564616432 CSXHJPLYMYORMJ-UHFFFAOYSA-N 428.297 2.339 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2C[C@H]2CCCO2)cc1 578208794 ABVRCCHWTWUNDA-HXUWFJFHSA-N 439.516 2.294 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(F)c(F)c2)CC1 582515462 QUFPZKPFSGXUHT-HNNXBMFYSA-N 437.516 2.361 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 588152267 MDGXUZVXRWUTKL-HIFRSBDPSA-N 432.492 2.485 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CSc3ccccc32)CC1 609817967 XOQAXEQCZIUFRY-KRWDZBQOSA-N 428.539 2.421 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](OC(F)F)C3)CC2)cc1 611586409 ODMCRSAWTRRSQX-INIZCTEOSA-N 427.473 2.189 30 10 IEEE COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 618546593 HWGXRRRJGAWPHM-UHFFFAOYSA-N 426.860 2.286 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3Cc3cccs3)CCN2C1=O 619854048 FNWPNILMHFHDAO-SFHVURJKSA-N 447.524 2.399 30 10 IEEE NCC#Cc1ccc(Cl)c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703979148 LAMMTHQHXIMBIC-UHFFFAOYSA-N 431.901 2.078 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 730311362 PBGKWOLMLONJQL-GOSISDBHSA-N 426.498 2.369 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCc2noc(Cc3ccccc3)n2)cc1 731698933 YSPHMRKKEIYLBI-UHFFFAOYSA-N 426.454 2.209 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=C3CCC[C@@H]3S(C)(=O)=O)nc2)C1 741455173 JKGDVQLVPXOUSB-VBQJREDUSA-N 428.580 2.113 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@@H]2CCOC2)C1=O 751655454 XZPJDUWXGJSWLK-CZUORRHYSA-N 442.944 2.267 30 10 IEEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 758295630 QFVTUNYBBANSJH-QHCPKHFHSA-N 431.452 2.089 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 768545850 FDPBDRLZVGNHTE-GHVJWSGMSA-N 434.500 2.450 30 10 IEEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)C1=O 781401467 PRFYCXSYXRBEBK-XMMPIXPASA-N 446.463 2.022 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)[C@@H]1CCCO1 786817205 SRLTYJPQRADWCF-AEFFLSMTSA-N 440.327 2.407 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)ccc2c1=O 787691753 LDEIOWVTLSBFGN-DKQKVXEPSA-N 435.549 2.110 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(CC(=O)NCCCC)CC2)CCCN1C(=O)OC(C)(C)C 790139109 LISWXOOAAPLFOP-HSZRJFAPSA-N 436.597 2.393 30 10 IEEE COc1cc(CNC(=O)/C=C/C=C/C(=O)NCc2ccc(C#N)c(OC)c2)ccc1C#N 793271551 JMYLUFZFSVELLX-GGWOSOGESA-N 430.464 2.492 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)CCC1 798855860 IWRRGJWKBUVMKE-RBUKOAKNSA-N 428.514 2.149 30 10 IEEE CSc1nc(O)c(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 804761146 XDDPGSKEIGXCCF-HNNXBMFYSA-N 447.561 2.148 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)n1 808831675 FKBLJVPPKVFZMV-UHFFFAOYSA-N 435.484 2.203 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 812178346 DOQYPAMQUFSKSU-INIZCTEOSA-N 436.557 2.123 30 10 IEEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1Cl 916937176 FDNFMEXQWSWRHT-BJJGWYPJSA-N 446.891 2.497 30 10 IEEE N#CCN1CCN(C(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)CC1 1147283283 FZWJZDOMXZOACT-UHFFFAOYSA-N 431.290 2.497 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1152043185 UINOWYQFGAZRQZ-UHFFFAOYSA-N 427.523 2.120 30 10 IEEE C#CCSCC(=O)N(Cc1ccccc1OC)c1c(O)nc(=O)n(CCCC)c1N 1264040559 VSSYJQFZJVXCJB-UHFFFAOYSA-N 430.530 2.239 30 10 IEEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 1264280908 LFYIMNGJFSPCLJ-HNNXBMFYSA-N 427.457 2.292 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286322174 DEMSOXIFLXQJOC-QZTJIDSGSA-N 444.557 2.260 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)C 1286469025 PCVCFPFUAIRYOS-UHFFFAOYSA-N 427.549 2.329 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](SC)C(C)(C)C)CC1 1286472330 GMODAOWDLHFTKI-PGRDOPGGSA-N 435.638 2.463 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(C(=O)NC)c2)CC1 1286489756 AYUSMFJKSQCHJG-UHFFFAOYSA-N 448.571 2.309 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286703988 VZFVAPZFVNVKHR-QGZVFWFLSA-N 448.568 2.097 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1286762831 NIFPNAORVFEBOJ-FQEVSTJZSA-N 440.573 2.381 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 1286773166 JEJQBOXBONYLOH-IBGZPJMESA-N 441.532 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]1c1nncn1C 1286780437 TWBHMVMLWKCFDV-INIZCTEOSA-N 426.912 2.371 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1286785970 KZTJNRLOJVDNTG-UHFFFAOYSA-N 440.523 2.130 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1291782855 HQUKXGMOHSWGND-ROUUACIJSA-N 439.564 2.126 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)COc1ccc(I)cc1 1294808233 XOUXBSHNXXDFGW-BPUTZDHNSA-N 431.270 2.128 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1294896939 BZGCSTFAGIWWPL-WOJBJXKFSA-N 438.532 2.495 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NN2CCc3ccccc3C2=O)C1 1295486225 QTPGHZQUCCIGFW-UHFFFAOYSA-N 425.286 2.487 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1296139054 YIELYUKJPVZSCY-OAQYLSRUSA-N 426.477 2.230 30 10 IEEE CS(=O)(=O)C1CCC(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1300415303 DUIUXWSWUORWMR-UHFFFAOYSA-N 441.557 2.200 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnc(C)s1 1300440185 PAYSJAPKOREUIC-UHFFFAOYSA-N 430.559 2.078 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300488266 CJPMYUSUWZQULG-ZFWWWQNUSA-N 440.928 2.399 30 10 IEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300702223 IEXHVHUYFUYSAV-OAHLLOKOSA-N 440.529 2.138 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300770772 YMJLHMZFLDDXOH-QFIPXVFZSA-N 425.558 2.248 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1300948039 BDWLDZGTSUKEFD-UHFFFAOYSA-N 436.520 2.322 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301174690 SUNJUBPAPAYIAJ-OGNFBWPZSA-N 441.598 2.017 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1301497779 DHJRGJOLWLIYEB-UHFFFAOYSA-N 429.569 2.058 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1301652854 NNFZZOZONDVPHE-UHFFFAOYSA-N 438.454 2.450 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1301887038 CRQJSAGMIQEMSO-GOSISDBHSA-N 432.475 2.009 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1302229744 IPEDHKQBZXYHHV-QGZVFWFLSA-N 429.521 2.395 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1303000739 JILBMLUNOFZJQB-DLBZAZTESA-N 442.486 2.175 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1314405169 PQOHUANCRYLVEZ-XLAORIBOSA-N 446.552 2.046 30 10 IEEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCC1 1315266628 HISPSGDJUICXRB-UHFFFAOYSA-N 438.532 2.390 30 10 IEEE COc1ccc(CCC(=O)N2CCN(c3nnc(C)n3Cc3ccc(C#N)o3)CC2)cc1 1315448513 PSWKYXYWKUZTTN-UHFFFAOYSA-N 434.500 2.390 30 10 IEEE COC[C@H](F)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315818454 ZWDXJRNGDKTFGR-SJLPKXTDSA-N 436.495 2.306 30 10 IEEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316364414 AIEDOPXTAPXBHT-AHLOJKHESA-N 429.546 2.175 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C(=O)NCc1c(F)cc(F)c(F)c1F 1323347341 JQGUMSJNHWJFCC-UHFFFAOYSA-N 426.292 2.270 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C(N)=O)nc1 1358876269 GLRIKXQXYWIIBN-OAHLLOKOSA-N 426.484 2.335 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1359101283 MQYUIAGSYFXISR-OGWOLHLISA-N 432.594 2.433 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@H]1C 1359127447 QLYYGGDTNIACGE-MRXNPFEDSA-N 448.593 2.364 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCCO1 1359293079 GEBPSIYOUSNQEU-AWEZNQCLSA-N 437.342 2.343 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCN(C(=O)COC)CC1 1359310180 OYGZIHIGBCDPNF-UHFFFAOYSA-N 425.533 2.454 30 10 IEEE C=CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359346643 QXSUQPXLRZYQCQ-UHFFFAOYSA-N 431.562 2.402 30 10 IEEE CC1(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)OCCO1 1438295042 LSYPXURZCKOMQA-UHFFFAOYSA-N 429.498 2.028 30 10 IEEE N#Cc1cc(CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccn1 1448861457 DTKPMGGGQVZGSY-UHFFFAOYSA-N 432.811 2.220 30 10 IEEE NC(=O)CC(=O)N(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F 1455648367 YQFZHFNMVGTSKF-UHFFFAOYSA-N 426.207 2.034 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cc2c(s1)CCCC2 1456562241 GHUVUNSHCGWWEE-UHFFFAOYSA-N 431.539 2.055 30 10 IEEE Cn1ccnc1[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 1463862128 DGQRHCNMISMPSD-FZMZJTMJSA-N 443.298 2.392 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(C(=O)OCC)ccc2Br)CCOCC1 1464568747 OICACJRHVDXTOP-UHFFFAOYSA-N 430.320 2.477 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CC(N)=O)c2ccccc2)C1 1468432004 OVBQXJMUKKLFJK-QGZVFWFLSA-N 427.302 2.490 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C1=O 1471079578 UVDHWDKARLJBNC-SBUREZEXSA-N 426.517 2.046 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)cc2C1 1475653967 FIMQTLLRLJIYIY-IBGZPJMESA-N 444.582 2.424 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1492911610 MBJWGFVYYHFOIY-LZQZEXGQSA-N 429.569 2.409 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCOCC(F)F 1494135576 FETZMWZPDIBVJO-CQSZACIVSA-N 432.479 2.204 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N 1494589441 DFRHNAFBEWWJFF-SJORKVTESA-N 426.521 2.175 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C#N)o1 1503713840 UJLLSJXQTJLAHZ-INIZCTEOSA-N 444.499 2.462 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1504829472 JALFXINRZAUXSH-UXHICEINSA-N 427.505 2.149 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507567942 UUPRLOMRINZIND-UHFFFAOYSA-N 444.605 2.318 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507592183 REXXDDSXAIAIJL-ULQDDVLXSA-N 430.553 2.382 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCC(F)(F)F 1507653909 WSBUZCCCCUGQBT-INIZCTEOSA-N 431.418 2.291 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1507693398 BAIQMOWJPUWZSN-SFHVURJKSA-N 430.503 2.441 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1csc(CC)n1 1507710969 XUHURALIJAUMNM-UHFFFAOYSA-N 428.518 2.159 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCSC1 1507713432 JSFVIZJJYKOLGW-INIZCTEOSA-N 433.603 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2cnn(CC)c2)CC1 1507736602 OJZKOLQKJGWDMX-UHFFFAOYSA-N 431.544 2.484 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1507778716 GFZAEMUTGAADCM-UHFFFAOYSA-N 434.338 2.395 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1507829517 ARWLKXQRWRICKH-SFHVURJKSA-N 429.569 2.406 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1508104089 JTHQOTPKCZPZJN-KRWDZBQOSA-N 445.589 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1508109837 VLDRXVJHKXFILJ-MOPGFXCFSA-N 430.597 2.416 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCCCC2)C1 1508132685 YUDIOBCWNUAGGZ-VQTJNVASSA-N 430.597 2.304 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1508169046 XCGZMQRTAXWXAE-XLIONFOSSA-N 433.582 2.282 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1508415612 DNXBOCYSMNECOO-GDBMZVCRSA-N 431.518 2.237 30 10 IEEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512113198 RACYVJPDARBUQA-LFWLKJPASA-N 436.520 2.276 30 10 IEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CCO1 1514384834 FIQVFUQOUZSKQT-LJQANCHMSA-N 436.520 2.403 30 10 IEEE CN(Cc1ccoc1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1517166629 GOMTXONFVQOVBZ-MRCUWXFGSA-N 433.472 2.020 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCOC(C)(C)C)cn1 1517375025 CAQMCRGGEMVABZ-UHFFFAOYSA-N 435.536 2.087 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1518745505 GBHAWBPGRCGAPL-QFBILLFUSA-N 428.512 2.494 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1Cc1ccc(-c2nc[nH]n2)cc1 1519167403 SRENYYISBOOZCD-UHFFFAOYSA-N 431.504 2.483 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1529728119 YLZSZDRVZGQJQK-SJLPKXTDSA-N 444.532 2.452 30 10 IEEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1536664922 OSRWHMBIMJPLBH-CVDCTZTESA-N 436.443 2.064 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1539211439 LSXBIMDUMBYFBQ-HXUWFJFHSA-N 441.557 2.260 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539213010 ZOWOXGQRVSMOBA-GOSISDBHSA-N 447.580 2.443 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216307 QCNVJUGHNIYESW-MSOLQXFVSA-N 433.603 2.147 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1539284939 VIRLUCARWYNUCA-MOPGFXCFSA-N 443.548 2.228 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCOC1 1539301066 KGYDEMCUGQZSQG-FQEVSTJZSA-N 447.308 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnccc2OC)CC1 1539477683 VNRTYSYGVHJRDO-UHFFFAOYSA-N 445.527 2.066 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)COC)CC1 1539518968 BZLFRFGYUBVNRO-UHFFFAOYSA-N 445.564 2.106 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1539642181 IAXVRLSEXMTAFH-KNQAVFIVSA-N 441.580 2.226 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(F)(F)C2)CC1 1539849553 XZNQQEJNCDRPFM-JKSUJKDBSA-N 445.536 2.203 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCNC(C)=O)CC1 1539884201 DMRMCIWJWGHTEI-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540014883 YQJGFZSIQIMEQK-KRWDZBQOSA-N 426.521 2.388 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1540048367 UTXOWTUUZTYBKI-HOTGVXAUSA-N 436.557 2.176 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1540164641 SQHVLFMOXZOHQA-UHFFFAOYSA-N 449.515 2.054 30 10 IEEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1540550049 GPBJFDUYLOBCDC-YSIASYRMSA-N 430.549 2.259 30 10 IEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1540859183 KXZNUFJTGWMGSH-QZTJIDSGSA-N 437.548 2.070 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1540877836 HIZFAYYLYLVJBE-UXHICEINSA-N 425.533 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2c(CC)nn(C)c2OC)C1 1540893355 BDIPYABGQZIVQA-SFHVURJKSA-N 437.548 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCc2oncc2C1 1540905745 ZGTHYNXJPINRCR-UHFFFAOYSA-N 431.493 2.160 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1540916050 RUFNCALRKWLDDF-KRWDZBQOSA-N 432.594 2.130 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)C1CCC1 1541363739 KNISHKJMSNQWQA-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1541802998 BFGWKTRUSRPKSU-WMZOPIPTSA-N 426.521 2.436 30 10 IEEE N#Cc1sc(NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)nc1Cl 1544537126 UCXJGRAGAKLRQY-DMTLFAOVSA-N 429.889 2.410 30 10 IEEE CCN1CCN(CCCCn2c(C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1547729305 ZAFVGPLVAUFIAC-HSZRJFAPSA-N 437.592 2.454 30 10 IEEE C=CCC1(O)CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1558421916 NJINHBLEWYBRTD-GOSISDBHSA-N 437.518 2.068 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cccc2C1 1560169064 YCNYIVUHZRUVPW-AVRDEDQJSA-N 431.558 2.350 30 10 IEEE COC(=O)CCSCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1568132404 AVNQVJAACBBYIE-RDYUPDBUSA-N 425.551 2.186 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCN(C)CC1 1583869889 HHPTXBBIKWUUDE-QGZVFWFLSA-N 437.972 2.486 30 10 IEEE C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585139256 UOQYCRYXCGMEIA-ZUCKAHLUSA-N 429.311 2.164 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N(C)C)CCSC1 1587663036 SYJZIYDQKYOXRZ-YWZLYKJASA-N 432.619 2.165 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC(=O)NCC(F)(F)F 1588020172 HSCCKJWZRFONHH-UHFFFAOYSA-N 425.411 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)C1CC1 1588229294 SRZKIODTNBVPRV-DEOSSOPVSA-N 433.560 2.076 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OC 1588233717 PHASEFPBPLRTNJ-SFHVURJKSA-N 445.564 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1588929929 JDYHYZZMSGXCAU-ACRUOGEOSA-N 441.576 2.467 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1594907633 WNMBYHKZXMMHAA-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCCC1 1595296377 DKLOIDJHGGFZEZ-UHFFFAOYSA-N 441.580 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1595705728 DCDJTHBECHNQCE-QUCCMNQESA-N 425.533 2.221 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 1595755270 URZYQBJQFFVCND-FGTMMUONSA-N 432.496 2.317 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCSCC1 1596813310 HYCUYRXSPRRNSR-HNNXBMFYSA-N 438.561 2.239 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603604535 IMZSENWIGGBHMO-UGNPLGLKSA-N 442.564 2.398 30 10 IEEE C[C@@H]1CCCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1612808264 DTNOAPKDKUJWPA-XLIONFOSSA-N 428.512 2.457 30 10 IEEE N#Cc1cccc2c1CCN2CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1618691420 HQWCSORJZGVBKO-UHFFFAOYSA-N 438.553 2.412 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1619860744 WPSNIKVDTVOFFC-OAQYLSRUSA-N 441.532 2.254 30 10 IEEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 1621752134 ABZDECPIYSDZLM-UHFFFAOYSA-N 442.541 2.170 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(-n3nnnc3C)cc2F)C1=O 1626597571 KYJBSZLYZISZDE-HXUWFJFHSA-N 431.472 2.426 30 10 IEEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1 1627415078 ZUYWFOULTULTOJ-YDZRNGNQSA-N 432.542 2.147 30 10 IEEE COc1cc(C(=O)N2CCC(n3nncc3I)CC2)ccc1C#N 1629391425 QOSWUVFPOQTMTB-UHFFFAOYSA-N 437.241 2.240 30 10 IEEE C=CCC[C@H](NC(=O)CCn1cc(C(N)=O)c(O)nc1=O)c1ccc(C(F)(F)F)cc1 1631194181 DDVVNDYSHFQRDW-HNNXBMFYSA-N 438.406 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)=NO2)C1 1633498657 KTSUTJMWLWQZGA-UHFFFAOYSA-N 425.489 2.425 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2nnn(Cc3cc(C)on3)c2C)C1=O 1634476287 BJRUJZOMIOAFQR-FQEVSTJZSA-N 431.497 2.247 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 1635700963 GUGNQQLLYOQZDZ-GOSISDBHSA-N 446.916 2.114 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC(c4ncc(Br)cn4)C3)cc2C1=O 1636273126 MJCUFNKQSCJHFO-UHFFFAOYSA-N 427.258 2.261 30 10 IEEE Cc1c(C(=O)NCC#C[C@H]2CCCCO2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1637186274 PYDWDUFHTKAFHN-GOSISDBHSA-N 431.537 2.461 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCc2nnc(O)cc2C1 1639036130 ZHIUNEBPQWYEKC-HXUWFJFHSA-N 435.484 2.473 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1640585335 PJTAHTQTOWJOAP-ZDUSSCGKSA-N 431.352 2.291 30 10 IEEE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1c(=O)c(C#N)cn(CCO)c1=O 1641281751 GHQMXCFRDJYLPK-UHFFFAOYSA-N 436.415 2.373 30 10 IEEE Cc1ccc(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(C#N)c1 1641378254 NGAYQQASGCAWAF-HXUWFJFHSA-N 437.521 2.470 30 10 IEEE Cc1ccc(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1643692987 ZTSXUPWTGYADBH-UHFFFAOYSA-N 438.550 2.220 30 10 IEEE CSCC[C@@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)NC(=O)OC(C)(C)C 1648643562 CTZRLQGNKVUGBE-ZDUSSCGKSA-N 438.554 2.093 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1653543882 GGROYGJJXWEEJJ-GOSISDBHSA-N 428.510 2.173 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n(-c2ccc(F)cc2)c1C 1655521011 CJJXZLCQQWLFLM-DLBZAZTESA-N 444.532 2.410 30 10 IEEE C=CCN(C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC)[C@@H]1CCS(=O)(=O)C1 1669855958 NBHNTRZZPMRKNP-CYBMUJFWSA-N 429.926 2.257 30 10 IEEE C#C[C@H]1COCCN1C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1676274914 KSLSIYZVHFJAKN-ZDUSSCGKSA-N 435.502 2.305 30 10 IEEE CN(c1cccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c1)S(C)(=O)=O 1676682383 PXOFTLIRZCMYPC-UHFFFAOYSA-N 433.559 2.047 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 1683762498 BLPUCOPKCFBLAD-UXHICEINSA-N 438.494 2.476 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1689875400 QUTIIMQUURKLKN-OAHLLOKOSA-N 446.533 2.163 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1689907886 PAGRFTBKMDYNTI-BGYRXZFFSA-N 442.608 2.253 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1689999848 JTZLKIMHKZZCKN-CQSZACIVSA-N 439.463 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)COCC 1690013419 NVTSXORVSIANFA-UHFFFAOYSA-N 432.528 2.328 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C(C)C)C(C)C)CC1 1690132794 XNUZLTFHXZXVNY-UHFFFAOYSA-N 426.613 2.014 30 10 IEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCC)CC1 1690302975 QLLJIVXITOQODD-UHFFFAOYSA-N 446.983 2.449 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1690597382 RYYKAYOUKDCXGX-INIZCTEOSA-N 439.582 2.226 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690749021 OUXORYYZUGWPBA-LJQANCHMSA-N 428.606 2.342 30 10 IEEE CC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1693915679 ISBJCCCAFGNUNF-QHCPKHFHSA-N 432.532 2.403 30 10 IEEE Cn1ncc(CCCn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)n1 1696885391 USTQXPSFAPKCEB-UHFFFAOYSA-N 435.536 2.163 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)C1 1696920163 SLYXBFLUXAFBKP-OAQYLSRUSA-N 432.475 2.451 30 10 IEEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1698184115 UGWTZBBOHWWVAP-WMZHIEFXSA-N 438.532 2.433 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(CC3CC3)n2CCCOCC(F)F)CC1 1698488614 JFLPVGHNQRUMSK-UHFFFAOYSA-N 431.491 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1705477021 IIBLAAPCXWRTAF-HZPDHXFCSA-N 431.924 2.388 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705515868 OVBGKVWSPQNYNX-WCJKSRRJSA-N 428.537 2.136 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705569245 FJDLEHABWCAWDC-QFBILLFUSA-N 446.548 2.464 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705569395 GUYFUOQQXSNBFT-KRWDZBQOSA-N 448.618 2.040 30 10 IEEE CC(C)OCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706699676 UUTZLBAPRJZSIQ-KRWDZBQOSA-N 435.536 2.465 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1707013233 UESOYGQYCLBCCQ-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1709937841 BCXWZDUEGVMKHW-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)cc1 1711877989 ZIEUBTXMIQUBPT-OAHLLOKOSA-N 436.472 2.046 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1712836281 UGQMEGATWZIHGY-AYOQOUSVSA-N 429.546 2.113 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1722289606 GKFVTVKCUFNDFJ-QZTJIDSGSA-N 443.552 2.250 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1722293620 DIFIUQHMAXUMIE-AEFFLSMTSA-N 433.553 2.266 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1722368096 YTVUAMUZZRQFFJ-OAHLLOKOSA-N 428.436 2.160 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722534293 MFGUXQVSNXDMHW-QHCPKHFHSA-N 426.565 2.158 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722591429 MZFGRZUOKNXOOT-ZWKOTPCHSA-N 439.626 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2F)CC1 1722730269 MZAPRJKRDPJVFV-UHFFFAOYSA-N 433.553 2.297 30 10 IEEE CNS(=O)(=O)CCn1c(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)nnc1C(C)(C)C 1729745754 FJDSYYMUYFGUGL-LJQANCHMSA-N 444.605 2.456 30 10 IEEE COC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1729799867 ABNAEWUWZJJTKP-OAQYLSRUSA-N 441.467 2.183 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1730580306 AWVLHKCLOMNHGB-SFHVURJKSA-N 426.521 2.070 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1 1731007765 HPPWSJMOFHGOSG-UHFFFAOYSA-N 437.953 2.400 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H](C(F)F)N1CCOCC1 1740603876 JAZPAMUDYJJQRJ-GOSISDBHSA-N 449.502 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N(C)C 1740653355 JXUBQWGSSLBASC-LEWJYISDSA-N 434.544 2.004 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nccs2)CC1 1740690403 TYEWVMWOWLYLDC-UHFFFAOYSA-N 435.557 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOCc2ccccc2)CC1 1740704249 KNSLNONQDDJICC-UHFFFAOYSA-N 432.528 2.456 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740720960 SCRNMUUCKZMJCI-SJORKVTESA-N 430.603 2.248 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740799514 NSGRUNBKTVGUIX-GOSISDBHSA-N 443.552 2.156 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSCC)CC1 1740840017 RLQDYUPXSWJUNI-KRWDZBQOSA-N 443.639 2.157 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1740921106 LBDPYHOMLFFHPY-GOSISDBHSA-N 435.525 2.278 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1740926212 XBTBOSUAUCUMNQ-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1740961128 MRJOVPCABUPAKG-MRXNPFEDSA-N 434.338 2.483 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1N1CCOCC1 1741128876 FJWLCQMNYQNBDL-INIZCTEOSA-N 436.495 2.355 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1741302194 WZFJJEBQICYFNP-QHCPKHFHSA-N 432.532 2.340 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1741725822 VZFDGOLBFNJMFD-FCHUYYIVSA-N 448.637 2.496 30 10 IEEE Cc1nccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(CCC#N)CC2CC2)cn1 1742626581 GUOSAKFVLLCQCL-UHFFFAOYSA-N 447.547 2.484 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1747412589 COMZEAYDJGSHQV-DNVCBOLYSA-N 429.546 2.255 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1747964429 ADZHKBAJOBFDKZ-UHFFFAOYSA-N 430.472 2.173 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1748735621 RWUPSDMFZFYOHH-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748802060 KOUJWRHMJVRTMN-UXHICEINSA-N 447.580 2.470 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1748807921 DEVJDDYLMGWOKZ-ZWKOTPCHSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818247 XZBQNJOYFWFMIR-UYAOXDASSA-N 430.574 2.320 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749037782 ITQGRQDINLSQEJ-HLIPFELVSA-N 444.557 2.397 30 10 IEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)C#C 1749037939 KTIBDPDSXTULQS-IAGOWNOFSA-N 433.578 2.411 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749741260 VNTKRNGANRSPGE-BYICEURKSA-N 428.562 2.442 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1750030460 MVMXMNZXROTDIM-HNNXBMFYSA-N 449.481 2.416 30 10 IEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1750116334 DBKSLTHMYOBRMO-QGZVFWFLSA-N 446.939 2.402 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1751092783 BXCJAUQTPBCOPI-CQSZACIVSA-N 448.549 2.102 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1751587926 GADHGZMNWOHLHM-RBUKOAKNSA-N 442.589 2.328 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760133419 DAUXBZBUTLFRAZ-KRWDZBQOSA-N 425.489 2.407 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760182694 LFYBFLGTFZGYPZ-IRXDYDNUSA-N 433.578 2.098 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1760190257 OUVQJCYCAOAEQE-IBGZPJMESA-N 428.558 2.304 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C(C)C 1760232611 BGDSLRFTYMZNOT-UHFFFAOYSA-N 438.580 2.074 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCOC[C@@H]1C 1760250613 JITXUZBFUVGLFN-IBGZPJMESA-N 436.560 2.157 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)CCOC)CC1 1760262887 GDAMNHBGNFCBJL-UHFFFAOYSA-N 435.576 2.335 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760380571 HQDYZWUFILRMEJ-KSZLIROESA-N 425.961 2.056 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760441792 UXHAKJRHOXDUGR-KNQAVFIVSA-N 437.592 2.219 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1760495414 NLYVVMONYHKQII-FQEVSTJZSA-N 439.564 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnc(C)s1 1760519657 KYAWXPVWJKIACC-UHFFFAOYSA-N 440.529 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1760521423 SGTAHFFIHQTPOZ-CALCHBBNSA-N 449.559 2.459 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1760535096 LLWUIFGHPLAJGR-SFHVURJKSA-N 433.578 2.481 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(COC)c1 1762300922 ASCFWCNZGGWEGB-LJQANCHMSA-N 426.521 2.120 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(C(C)(C)O)c1 1763112006 CCGBZXFOGUWWKI-KRWDZBQOSA-N 446.559 2.493 30 10 IEEE CCCN1CCC(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OCC)CCOC2)CC1 1764429765 SEFLTWMOUJQCDT-VXKWHMMOSA-N 434.560 2.494 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1765255742 KHPANERHYFMNIG-OSCRUYLVSA-N 439.545 2.198 30 10 IEEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(F)F)c2ccccc2c1=O 1765583793 CYJKYHDTJCHLJV-AWEZNQCLSA-N 443.458 2.449 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1766918778 DSLRIRIAEHSZNF-LJQANCHMSA-N 444.605 2.418 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C2CC2)cc1OC 1767548155 CDWOIMSVZRKEPH-VGOFRKELSA-N 427.505 2.242 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1cccc(C(N)=O)c1 1769983616 OYMQOLZKKLCQHK-KRWDZBQOSA-N 440.548 2.474 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(OC)cc1 1770044338 MBPADHLCYGGNIV-YLJYHZDGSA-N 440.548 2.236 30 10 IEEE COc1cc(OC)cc(C(=O)N[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C(C)C)c1 1772790773 UKEYSJCYSDUUQG-GOSISDBHSA-N 426.425 2.213 30 10 IEEE COc1ccccc1-n1nnc(C(=O)NCCN2CCC(C#N)CC2)c1-c1ccncc1 1850430925 LJWIZWJHOXCCMT-UHFFFAOYSA-N 431.500 2.303 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3cn4cc(Cl)ccc4n3)CC1)OCO2 1852424073 VHMGFZJFALGFGD-UHFFFAOYSA-N 437.887 2.475 30 10 IEEE CS(=O)(=O)N1CCC[C@H](OC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1853217622 PDWHBZZJZANTDF-SFHVURJKSA-N 442.541 2.290 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](F)CC3CC4(CCC4)C3)C(=O)C2)cc1 1854037567 KHEFEVACSNQJSH-GOSISDBHSA-N 433.505 2.226 30 10 IEEE CCC[C@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1855608279 CIMIELVHTXGVAC-MJGOQNOKSA-N 435.521 2.472 30 10 IEEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 1856095712 LZOSJIBWMZDDGX-MRXNPFEDSA-N 439.603 2.032 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1 1862555857 JQUMAGLLCZFOBA-HXUWFJFHSA-N 425.460 2.318 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862609879 XCAPEPWTJCHXCO-MPBGBICISA-N 441.436 2.131 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 1889687023 NWBUYZXCAXWWPD-UHFFFAOYSA-N 447.645 2.422 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 1891200361 PUTMRCRNLXDMAG-UHFFFAOYSA-N 434.924 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Oc2cc(Br)cnc2C#N)(C(N)=O)CC1 1903152784 XNDKASLAMYXJPQ-UHFFFAOYSA-N 425.283 2.350 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2008779246 FHTQBZHZNISCFB-UHFFFAOYSA-N 430.379 2.495 30 10 IEEE N#CCc1ccc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2195348376 KWKOPRIZMHTVPK-LJQANCHMSA-N 430.482 2.437 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 2247816690 FTPLRJHNDLSBDH-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255595061 GPQRGXKPJAYARV-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCO2)C1 2255601940 LIACFWHPWWCKRZ-QFIPXVFZSA-N 434.342 2.250 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255878494 ZOMIKJGNYUUWKA-GDBMZVCRSA-N 431.342 2.414 30 10 IEEE Cn1nc(C(=O)N(CCCC(=O)O)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2256925570 VOBLVPRYZOHDPG-UHFFFAOYSA-N 427.310 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 2267143032 BWSYSGUMOWZKFQ-WBVHZDCISA-N 446.357 2.227 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 2267227920 WOIGCBIUHUHONP-ROUUACIJSA-N 446.353 2.316 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2267491248 ANLDUSNIUWPSGB-HUUCEWRRSA-N 448.373 2.285 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267497333 BKQXIHVRPRLPFT-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267523070 ZEDTXNRLEHBPAE-HNNXBMFYSA-N 448.373 2.428 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525342 CPCMOILMAZIHNE-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2315536234 DOQOJCOLSPYDCF-KBPBESRZSA-N 432.330 2.248 30 10 IEEE C[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC[C@H]1NC(=O)C(F)(F)F 2322300294 RBJAITVUXJPGTR-SMDDNHRTSA-N 431.239 2.413 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(=NO)C[C@@H](C2)C1 2365578218 QZYPLCMDWOOKFK-HUUCEWRRSA-N 433.530 2.201 30 10 IEEE CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 16043345 PPQOOYHXJPXIIR-GOSISDBHSA-N 432.502 2.143 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)cc1 39915182 NORVYEXFDRIXFM-HNNXBMFYSA-N 426.516 2.188 30 10 IEEE Cc1c(N=C2C(=O)N(CN3CCOCC3)c3ccccc32)c(=O)n(-c2ccccc2)n1C 254290294 KNEMCOVYOSMXCW-UHFFFAOYSA-N 431.496 2.242 30 10 IEEE CC1(C)O[C@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@@]2(C(=O)CO)O1 254854619 POPFMWWJOGLOIF-IEIXIPNZSA-N 436.520 2.499 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 254854629 POPFMWWJOGLOIF-NRCITSIWSA-N 436.520 2.499 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 429858282 FJADTKQXHOZAHX-UHFFFAOYSA-N 433.442 2.311 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1O 442926574 WQEAWODPMIFEAX-SNVBAGLBSA-N 429.376 2.468 30 10 IEEE Cc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3)no2)cc1S(=O)(=O)NCC#N 445686828 KPBIBSRIJPCRBR-UHFFFAOYSA-N 439.497 2.048 30 10 IEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 460371047 SYKLVRGSSUGLNU-NRFANRHFSA-N 434.544 2.478 30 10 IEEE N#Cc1cc(N2CCN(CC(F)F)CC2)cc(N2CCN(CC(F)F)CC2)c1[N+](=O)[O-] 462790848 JSOGKGWBLOTGLK-UHFFFAOYSA-N 444.433 2.241 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1 479622644 XXDPUQOZODMINH-HSZRJFAPSA-N 431.540 2.008 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC[C@H]3COc4ccccc4O3)C2=O)cc1 484632997 BVLYHJUZQSCSQR-ROUUACIJSA-N 434.452 2.110 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508630872 OPMMKLPWUWNRHD-SFTDATJTSA-N 433.512 2.052 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C/c1ccccc1 508884284 GJYSZVXSOLFJRL-DQSGYLJSSA-N 431.562 2.337 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C[C@@H]2CCCCN2C)CC1 523854353 GNCYVCWUHIWWDW-SFTDATJTSA-N 427.593 2.432 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccc(CC)cc2)c2cccs2)CC1 532740685 LVCYYESAOKWCLI-DEOSSOPVSA-N 440.613 2.436 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@]1(C(=O)OC)CCSC1 535455843 HDMRSBGHLLVRKB-QGZVFWFLSA-N 443.319 2.263 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)n1 545496771 DFUSTACDZQZWJB-UHFFFAOYSA-N 433.468 2.282 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(Br)c3)CC2)n1 546185297 ZSRJFOPLEWRFJU-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 549692948 YKCKTSIKRJFYKU-DYESRHJHSA-N 436.560 2.320 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 551250559 ORXRWOUHRFGSLC-UHFFFAOYSA-N 444.539 2.010 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2sccc2C#N)c1 557155087 VOYZFISQDAOZGV-UHFFFAOYSA-N 428.333 2.399 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 558455384 XSTSZZSAAWAREE-SJLPKXTDSA-N 448.593 2.428 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)cc2C1=O 597607311 UFBXHGNUSOZFTI-UHFFFAOYSA-N 443.456 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 726267179 VHSMGHWWEAIXLV-UHFFFAOYSA-N 428.537 2.432 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 731020539 RNLTXLOVTIYMHR-QGZVFWFLSA-N 449.573 2.365 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@H](O)C2CCOCC2)cc1 740974711 XONMJUUZXBLFBF-OAQYLSRUSA-N 441.484 2.244 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(Br)cc1-n1cncn1 759172358 WBRBQUDEOUVAIU-UHFFFAOYSA-N 446.286 2.161 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCS(=O)(=O)CC1CC1 764844129 GPLHRXQUFLONCY-GOSISDBHSA-N 449.598 2.420 30 10 IEEE C#CCN(C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 765017117 YTIAGGFCFHLWPP-WMZOPIPTSA-N 426.579 2.309 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 765282661 WZCZHNHUBDYDHW-CVEARBPZSA-N 440.525 2.229 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(-c3ccccc3C#N)c2=O)cn1 772301961 GREGPVITMQLPDK-UHFFFAOYSA-N 441.516 2.330 30 10 IEEE CCOC(=O)C1=C(COC(=O)[C@@H](O)c2ccc(C#N)cc2)NC(=O)N[C@H]1c1ccccc1 780203417 AFNOLMLCVJSHAS-PMACEKPBSA-N 435.436 2.006 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCCC1 786297706 ZERSYINSBWBINS-LJQANCHMSA-N 449.511 2.300 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(Cc3ccc(F)cc3F)c2C)n1 788813856 KNLJCTXQQLISHC-UHFFFAOYSA-N 428.443 2.032 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)n1 788873439 GLQKBELDZYKJDC-UHFFFAOYSA-N 426.521 2.404 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCCCO2 789968878 RTKPHEYDYHRIME-AWEZNQCLSA-N 428.518 2.324 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCO2)cc1 802684181 NHUQGDFNOUCCBU-TZIWHRDSSA-N 433.516 2.084 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC2=CCCOC2)C1=O 807931157 ZPJLNVJZRFRKKC-SFHVURJKSA-N 434.537 2.172 30 10 IEEE CCN(CC)c1ccnc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 807976351 KECHWZVRAHZXOJ-UHFFFAOYSA-N 427.328 2.179 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cc1C#N 813679207 PLIKPHCKXPJPJX-UHFFFAOYSA-N 438.550 2.346 30 10 IEEE Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)nc1 858040059 BTSDCZRCIUWHPP-YADHBBJMSA-N 437.519 2.391 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 919161665 VVTQCUSWPBWJIP-QWHCGFSZSA-N 428.411 2.260 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCc1ccccc1Cl 1084281878 NSIGCZXVEFUQDN-UHFFFAOYSA-N 431.909 2.205 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 1139145595 KBOPBZXGGRQXLA-IFXJQAMLSA-N 448.361 2.441 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@@H](O)[C@H](CO)C2)nnc1-c1ccc(Cl)cc1Cl 1161334856 ALGNNTDQOQQNKQ-XHDPSFHLSA-N 443.356 2.342 30 10 IEEE CO[C@]1(C(F)(F)F)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1197325873 LHDANHKCHBLKAA-IEBWSBKVSA-N 428.430 2.188 30 10 IEEE C#C[C@@H]1COCCN1C(=O)Nc1cc(C(=O)OCC)ccc1I 1208378518 NIAIJOJDKPVFDR-GFCCVEGCSA-N 428.226 2.334 30 10 IEEE C=CC[C@H]1CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1226341123 NZJPYJOPNIGTFH-QFIPXVFZSA-N 428.577 2.380 30 10 IEEE C=CCC1(O)CCN(C(=O)NCC(=O)Nc2ccc(I)cc2)CC1 1248663067 YXNGXINHDQAJBO-UHFFFAOYSA-N 443.285 2.342 30 10 IEEE Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(N)=O)C=C1)=C(/S)NC[C@@H]1CCCO1 1251775925 YRNHPMMQBOJUSZ-KRWDZBQOSA-O 429.522 2.270 30 10 IEEE COc1cc(CNC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)ccc1C#N 1271682990 JUVFFFSWDXBTAR-HSZRJFAPSA-N 425.485 2.338 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286337756 TVIHBYVUMIFURP-LJQANCHMSA-N 431.338 2.318 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286344627 IALIKHWSWBAEJE-IBGZPJMESA-N 441.532 2.107 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286549688 YMHQGVDGRHVNGX-IEBWSBKVSA-N 439.564 2.203 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1nc(CCOC)no1 1286564788 YUYLYPGOAFOYLN-OXJNMPFZSA-N 441.536 2.473 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1286764389 NVLVRRVEACLOMI-LJQANCHMSA-N 442.564 2.168 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286790478 SLNCDJMSFKLLHE-UHFFFAOYSA-N 442.589 2.071 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286832014 NYXPEQBNXZSPAF-YJBOKZPZSA-N 429.546 2.377 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCO1 1287016789 BTJNRXXJZICJBC-INIZCTEOSA-N 432.475 2.449 30 10 IEEE CC(C)OCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1288367133 GVBNRWQNCZNHSL-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)CN2CCOCC2)n1 1290631948 ACDCKDOOUYQALX-WZONZLPQSA-N 440.596 2.238 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCCC1=O 1300323297 YHFQGBQRGPNEMU-GOSISDBHSA-N 434.544 2.029 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[C@@H]1NC(=O)NC1=O 1300441388 MXXCLIQUFIIVRL-HNNXBMFYSA-N 426.546 2.333 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1300441415 NOUPKORJLZWINS-UYAOXDASSA-N 445.589 2.326 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300489827 TVCBLHFIEGUZLU-OAQYLSRUSA-N 441.601 2.448 30 10 IEEE COc1ncccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1300711975 HHQGYDMYTZECQF-FQEVSTJZSA-N 441.492 2.163 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300726282 MSKDDXMSRRLXHR-OAQYLSRUSA-N 449.477 2.256 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300884902 MQEHODAYXKJZIT-RBUKOAKNSA-N 437.610 2.389 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300983689 MPJWWDHLHSEYCJ-IBGZPJMESA-N 426.525 2.066 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1301367606 RDEOBGAOKNBWAQ-ICSRJNTNSA-N 438.580 2.101 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1301373299 UXNRTBAHMHCJKK-UHFFFAOYSA-N 445.325 2.367 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301508333 IIOZWGRZVFRRHM-DOTOQJQBSA-N 432.569 2.272 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(F)c(OC)c3)CC2)nnc1C(C)(C)C 1301518119 FWFLWGNYMSXWGM-UHFFFAOYSA-N 430.528 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1C(C)(C)C 1301595798 ANUQPTZDLDEVGR-CQSZACIVSA-N 437.532 2.249 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1302320875 KPPKYTUTLSSKPR-JPZYQRIQSA-N 440.573 2.080 30 10 IEEE C#CCN(CC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1304170658 STDNMZWDLYXSNC-UHFFFAOYSA-N 433.509 2.443 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)no1 1304224772 CHTBDZUPMGFLFZ-QGZVFWFLSA-N 435.488 2.165 30 10 IEEE CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CCN1CCOC 1306442364 UNKMWPGNOXWPBM-LJQANCHMSA-N 435.532 2.324 30 10 IEEE C#CCC1(O)CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 1308035220 UQQKERURFFZSCE-LJQANCHMSA-N 431.920 2.361 30 10 IEEE C[C@@H](NC(=O)NC[C@]12COCCN1C(=O)COC2)c1ccc(-c2cccc(C#N)c2)cc1 1312479660 LYEZEBCXIRSVJQ-MZNJEOGPSA-N 434.496 2.213 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 1316147855 GEVKQBCTTXDPMA-SJLPKXTDSA-N 438.532 2.431 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)cc1 1319886974 BRKZCBVKAYEWDY-UHFFFAOYSA-N 436.474 2.413 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)C1 1320905097 MOGFTEMBDQAKNA-QGZVFWFLSA-N 428.576 2.135 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl 1349464468 NBSIOOMFMYVIHN-UHFFFAOYSA-N 433.259 2.258 30 10 IEEE C#CCCOc1ccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 1356310503 AQQQQGWYCMPFSC-UHFFFAOYSA-N 431.470 2.242 30 10 IEEE C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1357404292 BHKZHCKLIBMMJC-AWEZNQCLSA-N 436.511 2.048 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1358949362 ZNFLUDVUNSLWBY-QGZVFWFLSA-N 429.546 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)C1CC1 1358986923 LNUZOVBTOAAANI-UHFFFAOYSA-N 427.512 2.324 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cnn(CC(C)C)c2C)CC1 1359034736 BKNGAOLTMZPEIV-OAQYLSRUSA-N 425.581 2.484 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCOCC)CC1 1359035672 AWNBLXKRZBHDEQ-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359083169 CUWUCVAQWFWSHN-KGLIPLIRSA-N 433.372 2.442 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359299743 MMOHKTIIIKZOJF-LJQANCHMSA-N 444.580 2.051 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2=O)cc1Cl 1443474937 BOUMIVYFIUSDOC-LPHOPBHVSA-N 430.936 2.324 30 10 IEEE CCO[C@@H]1C[C@](O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1(C)C 1448860876 JYIFNKIDURKJHU-BZAXUSHPSA-N 435.565 2.456 30 10 IEEE C=CC(C)(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1454006782 CGKCFPRKJDYTTO-UHFFFAOYSA-N 435.590 2.327 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](Nc1cc(C#N)c(Br)cn1)CCS2(=O)=O 1458682202 OJHKJEIQOVWGTA-BGMSHATGSA-N 428.308 2.027 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)CC1 1459881483 KQJZOVWPXDZUIQ-IBGZPJMESA-N 426.561 2.410 30 10 IEEE CC(C)(NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1 1470059217 CUVUAXCJOHNXRO-UHFFFAOYSA-N 433.555 2.369 30 10 IEEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1470225726 MXJBCTNQNRYAML-HSZRJFAPSA-N 425.485 2.076 30 10 IEEE C[C@H](CC(=O)NCc1sncc1Br)/N=C1/NS(=O)(=O)c2ccccc21 1472021794 BXZYSXCPFVGVJO-SECBINFHSA-N 443.348 2.039 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1501566469 GIFJJQJDIRIDGX-LJQANCHMSA-N 439.545 2.035 30 10 IEEE CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1503261617 CDRBKMDXUSISLI-SPYBWZPUSA-N 427.546 2.073 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@@]1(OCC)CCOC1 1507576822 ZWDZSJJQQABMSM-PGRDOPGGSA-N 433.553 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1507668734 BWNLBWLTMVCQCN-FQEVSTJZSA-N 438.553 2.016 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2ccc3c(c2)OCCO3)CC1 1507734139 SCPWGPWONFUZAS-UHFFFAOYSA-N 437.544 2.381 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508077068 KCCAEDSRPOXSKN-UHFFFAOYSA-N 446.559 2.235 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1C 1508094446 XZDLRHXQOYMWIS-ZACQAIPSSA-N 448.568 2.123 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1509632324 AJPGYRPAPCYNOW-UHFFFAOYSA-N 437.548 2.296 30 10 IEEE Cc1ccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1C 1510917039 BJXGEJOEACKQGU-QURGRASLSA-N 435.532 2.056 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1=O 1515889730 PNHQAJNKHHOAHQ-UHFFFAOYSA-N 436.516 2.134 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1nc(N(C)C)ncc1Br 1526524293 ODVFXKSRIURQCC-UHFFFAOYSA-N 427.266 2.318 30 10 IEEE CCOC(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc2n1 1526976484 FKCSWBGVUJWJKA-UHFFFAOYSA-N 438.465 2.089 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1533745507 BAXWNHBPYYSHIW-ZBFHGGJFSA-N 434.489 2.079 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1539221418 OJFKMJVUYUJGHH-ZWKOTPCHSA-N 438.594 2.209 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccccc1N1CCOCC1 1539407395 AFNMTLIYKVAUDV-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1539444444 OIPDBVCMVLZPJQ-UHFFFAOYSA-N 446.603 2.324 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539750384 MTUIXZGNDAHJCA-APWZRJJASA-N 448.545 2.007 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1540051801 OJPQPCDEOKUIPH-UHFFFAOYSA-N 428.356 2.483 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)F)CC1 1541992526 JTSBZXRXQIYNSO-UHFFFAOYSA-N 443.462 2.333 30 10 IEEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542714613 GWKUXUIEPKFFII-YKNSSVCLSA-N 435.463 2.222 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)C2)c1 1557718466 CIDRYYMNLWMIJU-UHFFFAOYSA-N 438.431 2.178 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 1558101796 PKQQNNLPHPCTPM-PAWAISHBSA-N 444.435 2.066 30 10 IEEE COC(=O)c1ccc(F)c2c1CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1564530596 FZIBMUFYXPAYIF-SCLBCKFNSA-N 446.479 2.439 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N1CCO[C@@](C)(C#N)C1 1585431340 DDDDJIMBAOCUBG-HKUYNNGSSA-N 433.306 2.119 30 10 IEEE CC(C)(C)N1CCC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1587056412 NLGYPRKTOOBDAZ-OAHLLOKOSA-N 425.489 2.492 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCC(F)F 1587621128 PCVCNGNVKDLJFP-AWEZNQCLSA-N 430.459 2.415 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1587822895 FCMOTMJYTZOPJZ-UHFFFAOYSA-N 439.527 2.470 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588049290 DTJCTLUCAIRWLA-MSOLQXFVSA-N 439.541 2.367 30 10 IEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1588068995 DSEWUSWXHPFSCK-INIZCTEOSA-N 449.602 2.087 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1588388070 XVJFFGPYLRBICJ-KRWDZBQOSA-N 432.546 2.095 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCOCC(F)F)CC1 1588913256 DXJIAGPNVNSFDJ-UHFFFAOYSA-N 447.486 2.201 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2COC)CC1 1594192139 DVNRPBVMAMOOOC-MRXNPFEDSA-N 433.578 2.485 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595570160 ZAWPHJNBCMVTDL-QUCCMNQESA-N 438.576 2.047 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCN(CCC)C(=O)C1 1595785186 STLYYWZMJOXUTG-UHFFFAOYSA-N 449.552 2.134 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1595788960 LWIUGKXWLOMXEL-QRQLOZEOSA-N 443.573 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1595805879 XAMQMPBEHAIUAL-OAHLLOKOSA-N 440.591 2.042 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)c(Cl)c2)CCOC1 1616260537 CMOSRCHVUVBKIX-QRWLVFNGSA-N 435.887 2.500 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)C1=O 1618459920 WOJCRLXVNWIVGQ-IBGZPJMESA-N 448.449 2.189 30 10 IEEE COC[C@@H](F)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619626380 RXCNKBUVACDURQ-HKUYNNGSSA-N 428.512 2.061 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(F)CCC2)CC1=O 1619937166 BNAFHTWTFMLJAI-UHFFFAOYSA-N 426.496 2.394 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1620001928 LQJSHTLYXJTMPM-HRAATJIYSA-N 430.509 2.042 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1622199855 BASJKMZUSWLPDU-UHFFFAOYSA-N 440.241 2.365 30 10 IEEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 1626948099 HBJGJXIQLHVYMT-UHFFFAOYSA-N 439.537 2.440 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1632287276 CLSZWMUKXKOOOZ-KRWDZBQOSA-N 439.553 2.154 30 10 IEEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304864 WTDDINBJOJOPEM-IBGZPJMESA-N 432.542 2.168 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 1636629320 RXHHYYUYMFONLF-QZTJIDSGSA-N 446.353 2.004 30 10 IEEE CN(C)C(=O)O[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1637027178 ATUKJWPVCGWKIH-JBLFJGJOSA-N 434.537 2.462 30 10 IEEE Cn1cc([C@@H]2CN(C(=O)COc3ccccc3C#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1639686789 FQHXHIUHFDWJQN-ZWKOTPCHSA-N 425.489 2.190 30 10 IEEE Cc1c(S(N)(=O)=O)sc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1Cl 1640439299 GNGKPVFXNQTODF-UHFFFAOYSA-N 430.964 2.253 30 10 IEEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)CCOCC1 1642708355 OOMTZTBTAAHXNH-DOTOQJQBSA-N 427.423 2.129 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)c1cc[nH]n1 1645141424 XRXWKYDVGJPNRT-OAQYLSRUSA-N 448.907 2.255 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1654851210 VKNKYQUSFPVEIC-VLIAUNLRSA-N 437.587 2.105 30 10 IEEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)C1=O 1655137057 UZJMRECTCUQIKG-IBGZPJMESA-N 425.514 2.136 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCOC3(CCS(=O)(=O)CC3)C2)n(C2CCCC2)c1C 1655894740 MZJFNCZCNXLONX-UHFFFAOYSA-N 448.589 2.310 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3c(F)cccc3F)CC2)c1 1657166507 UZDXUYRWGXTNFY-UHFFFAOYSA-N 426.423 2.052 30 10 IEEE C#CCN(C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1676685048 QEIUYOFMOCYNNZ-ZBFHGGJFSA-N 426.922 2.410 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)N1CCN(c2cnccc2C#N)CC1 1685630570 FKSIIXGCTVJKBF-SQNIBIBYSA-N 426.521 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689847996 MRJXOHGQPAYIQW-KRWDZBQOSA-N 435.532 2.361 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1689912899 CQROTXMWHOTVAT-UTKZUKDTSA-N 431.562 2.054 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN1c2ccccc2C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689979778 GZTHXWHEEZVCHC-QUCCMNQESA-N 441.601 2.479 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689987672 AIBCITCSIHCZOA-SFHVURJKSA-N 443.573 2.403 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)nc1 1690013618 WUZRUSCDXVTTPG-UHFFFAOYSA-N 437.507 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccsc1 1690034443 IGLFRBQHKBDDKA-FCHUYYIVSA-N 428.558 2.362 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1690134950 MHNAPGMZKWRMNM-RTBURBONSA-N 446.596 2.388 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690169986 VLIGGEZTMYGIRU-LJQANCHMSA-N 427.622 2.244 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690313229 OCBKXPYFBJZSTF-SFHVURJKSA-N 429.569 2.467 30 10 IEEE C=C(Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1690325615 CIMLBYKGRGBJAZ-MBSDFSHPSA-N 425.533 2.311 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690488300 NJPWQAQVXYOILF-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1690525918 TWEJXUPOELTBJR-UHFFFAOYSA-N 440.596 2.185 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCN(C(C)C)CC1 1690592531 AAHPQZXHKFOXEL-UHFFFAOYSA-N 442.564 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690668043 QNTKZXBDJZIOCL-CQSZACIVSA-N 426.443 2.134 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(C)C)CCO1 1690956411 QCIDANLQMMQMCU-NRFANRHFSA-N 440.548 2.221 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705564100 LFAQPLXWSLSZQC-KZNAEPCWSA-N 446.548 2.262 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCS(=O)(=O)CC1 1705579130 FWBZEFJLOFYOEO-UHFFFAOYSA-N 448.552 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@@](C)=O)CCC1 1705593773 IHFRJELWVHGGJR-WJOKGBTCSA-N 438.553 2.480 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(N2CCOCC2)n1 1705624234 UWFKLFTZLLULAX-UHFFFAOYSA-N 436.516 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1705652730 LERBCDZBRDWWAH-ZCNNSNEGSA-N 427.549 2.077 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1 1705684500 SJZUPSHTVXSNRD-UHFFFAOYSA-N 426.296 2.331 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC1 1705837191 SSAKBNCUQAMQOQ-UHFFFAOYSA-N 432.594 2.304 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705888413 WJYZFCHXSSTXKJ-PKOBYXMFSA-N 431.562 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2F)CC1 1705899762 GHEVSZAOKBCQPC-UHFFFAOYSA-N 427.459 2.180 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1705913627 TUEFJGCUKACJAI-HKUYNNGSSA-N 446.573 2.266 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccccc2)CCOC1 1706678093 BRVJIYORWHODCK-UGKGYDQZSA-N 427.505 2.126 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccc(F)cc2)n1 1707832973 MDCXDYNPLZBOTO-FQEVSTJZSA-N 439.495 2.477 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1711203450 GGSZWEIURZTUFR-NRFANRHFSA-N 443.529 2.188 30 10 IEEE COCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1712413755 YOYNRIKSTHAHAP-VZCXRCSSSA-N 435.488 2.035 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccc(C(F)F)n2)CCO1 1712883605 SZWSWWAGLMFQQH-AWEZNQCLSA-N 442.386 2.358 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCN2CCCC2)CC1 1722305845 DDWRUYDGLFWOQW-UHFFFAOYSA-N 442.608 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)Cc1ccccc1 1722307087 YSRLEWXQLSYWIK-IHPCNDPISA-N 446.573 2.075 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CC(F)(F)CO2)c1 1722309448 NOZRZBWTWFILCF-SJLPKXTDSA-N 445.470 2.262 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 1722324749 XMFOQUIYDZKGQF-MRXNPFEDSA-N 431.562 2.263 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722339938 HKQJCHOBRBGSQX-UHFFFAOYSA-N 449.552 2.270 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(F)cc(OC)c2)CC1 1722428819 BEMBBHFTJWRJIA-UHFFFAOYSA-N 442.539 2.148 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCCCCC2)CC1 1722437187 RIASGNPEUBQGTF-FQEVSTJZSA-N 428.581 2.068 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722456903 ITZVGRXKIITNTK-QFIPXVFZSA-N 449.628 2.399 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1722508152 IAXIJQBEPZFJFY-QUCCMNQESA-N 426.521 2.134 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOC[C@H](C2CCC2)C1 1722700546 LXWUZAJRKJENIT-QGZVFWFLSA-N 430.578 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCOCC1 1722724161 OUJVXHKBKDCGOU-UHFFFAOYSA-N 442.488 2.374 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCOC[C@@H]1C 1722729925 BITGYCZOZXLLMB-KRWDZBQOSA-N 429.546 2.107 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(N(C)C)nc2)CCOC1 1722863250 IZTXBSTVDNOAER-VGSWGCGISA-N 427.553 2.424 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2nnc(C)s2)n1 1726057729 IGWAWGDQDASNCO-IBGZPJMESA-N 429.529 2.374 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@H]1C 1728553820 CZUFATCFOLRQHQ-QZTJIDSGSA-N 449.563 2.307 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCOC2)c1 1740562427 JWBQSBHUAZFRNN-GOSISDBHSA-N 433.516 2.161 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@H](C)CC 1740602820 WKZCUSSAIHMTAZ-IERDGZPVSA-N 433.578 2.062 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1740624296 HVULXQKHTADBIK-ROUUACIJSA-N 436.603 2.372 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2OC(F)F)CC1 1740696232 OSVLPALFYGUXHH-SFHVURJKSA-N 431.487 2.381 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1740698007 MKHOQGXMZAQXCN-QHCPKHFHSA-N 447.562 2.461 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740742822 CLWSOYPCHHAXKC-KBPBESRZSA-N 434.342 2.385 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1740790319 QWNRUZLYLYBEIP-SFHVURJKSA-N 443.548 2.423 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740811408 SFBGHZWQZMPMRR-OAHLLOKOSA-N 431.990 2.175 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnccn2)cc1 1740968072 ZYRVKXQXBWBPSI-UHFFFAOYSA-N 433.516 2.440 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1741799122 HMAJYVSCLSTPKX-OAHLLOKOSA-N 442.545 2.104 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)noc1C 1747404498 CPCFSXGMJIJATJ-UHFFFAOYSA-N 428.518 2.341 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCc2cn[nH]c2)c1 1748694652 KMJHPFUYIFRPEM-UHFFFAOYSA-N 440.511 2.286 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCS1(=O)=O 1748775723 SBPYJRQFFVCHST-OAHLLOKOSA-N 433.603 2.236 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1748785007 WYQKGKQLAKCUKA-GOSISDBHSA-N 449.559 2.026 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCc2ccccc21 1748864211 SVNTUSBVXQUOHH-UYAOXDASSA-N 439.585 2.471 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2cccs2)CC1 1748971485 RNAFDCQVBBTEQV-UHFFFAOYSA-N 426.590 2.309 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC[C@@H]1C 1749220098 AZVKYWFBYBOTPX-LPHOPBHVSA-N 447.561 2.025 30 10 IEEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1)c1ccccc1 1749246862 IBUBIWZLXYPYLJ-UHFFFAOYSA-N 436.541 2.309 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749434241 LXTUBLSNLQKYDJ-UHFFFAOYSA-N 435.598 2.014 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749671014 XVCZXGADWBVJEO-OALUTQOASA-N 441.532 2.344 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(-n2cncn2)c1 1749940208 ATKODINGJYRUCE-QGZVFWFLSA-N 436.520 2.371 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1ccccc1F 1750009827 YCQFJHFQHVPPHS-BBWFWOEESA-N 433.484 2.337 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)C[C@H]1OC 1750190392 WBQFSJYJAOZDND-HSALFYBXSA-N 441.532 2.394 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750198242 OYCKGNFMIDBXOW-SFHVURJKSA-N 438.916 2.260 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC[C@H](F)C1 1750954773 YDJPWTCNXOBONL-CJNGLKHVSA-N 427.484 2.089 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)o1 1751493640 BHWDQCMXHZHVPR-KZNAEPCWSA-N 428.537 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)NC 1760209985 LJFKDIHBMOEDNA-LJQANCHMSA-N 443.573 2.047 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccn(CC)c1=O 1760211377 GKSRTKZMPNFANN-DEOSSOPVSA-N 437.544 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](C)N(C)C)CC1 1760266964 CGHBTLQPOSVBBB-GOSISDBHSA-N 445.571 2.409 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760529015 UDHDASOHCSXTCL-GOSISDBHSA-N 440.548 2.432 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C)Cc2ccccc2C1 1761482220 GZMMEIJGJFQUFN-BTYIYWSLSA-N 446.552 2.135 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C(C)(C)C 1763656573 SAXXCHFFCACKPO-AWEZNQCLSA-N 425.537 2.489 30 10 IEEE CCCNC(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1764548628 HCVABPYMAKFKJH-UHFFFAOYSA-N 425.512 2.409 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1765306675 COFFXKDNXCKWQF-HKUYNNGSSA-N 438.532 2.259 30 10 IEEE CCN1CCN(CCCCn2c(N3CCN(C4CC4)[C@@H](C#N)C3)nnc2C(C)(C)C)CC1 1765567249 ACQSBZYFJMGJCP-NRFANRHFSA-N 442.656 2.170 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1765907759 JKEHOYKJPRFSAO-QHCPKHFHSA-N 438.532 2.262 30 10 IEEE COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1769246038 BQSAPMZDTNFOHB-RTWAWAEBSA-N 434.500 2.451 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(C(N)=O)c1 1770196799 LCUHBWRWZCPIMK-PMACEKPBSA-N 438.532 2.279 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2CC2)c1 1771112579 SNUJBVPRUMFTDY-HXUWFJFHSA-N 443.573 2.472 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1771442367 MMOGYKGJAZSVST-LZICOFPGSA-N 439.545 2.198 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)CC2)c1 1771531951 JVYJPALGATUGMZ-HXUWFJFHSA-N 438.532 2.311 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](c2cccc(F)c2)N2Cc3ccccc3C2=O)NC1=O 1851146488 IUJUHOHAVOTNII-IBGZPJMESA-N 448.454 2.234 30 10 IEEE COc1nc(=NC(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2c2ccccn2)c(C#N)c(C)[nH]1 1851836041 JROCHAJJNJKAKI-UXHICEINSA-N 428.496 2.337 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccccc2-n2cncn2)cc1 1852284516 ZXGFANNSXYKZBZ-FQEVSTJZSA-N 433.468 2.076 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4c(C)cccc4C)n3[nH]2)CC1=O 1852330643 JQCUHHDQLNYMTP-IRXDYDNUSA-N 434.500 2.276 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(F)c(F)c2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734867 YZJBHIUEXDUUSD-NSHDSACASA-N 437.399 2.037 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1858648645 HDZVWDCVPQFRJS-UHFFFAOYSA-N 432.458 2.007 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1CCCO 1870393457 UHGVKFHTNDQRTK-UHFFFAOYSA-N 425.529 2.100 30 10 IEEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(NCCOCCO)ncnc21 1873632004 NEPUVVUXWXTLQW-UHFFFAOYSA-N 426.433 2.199 30 10 IEEE COc1ccc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1O 1874277463 SUMPPAQZIVOFHN-OOXYOOLHSA-N 447.561 2.463 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 1901465688 URFFGABAWZXKCQ-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)CCN1Cc1ccccc1 1914739484 TWXUTZYAIWCLNY-RDGATRHJSA-N 447.539 2.135 30 10 IEEE C=CCN(CCC(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985017308 KZCSZGBHEPGHMT-CVEARBPZSA-N 427.542 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2009956031 FJMKWXCVUCBKPH-KGLIPLIRSA-N 442.513 2.058 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243387545 WHVDLPVJSDSELB-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247906821 QSJNUZCBCQPEHW-BETUJISGSA-N 437.371 2.475 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)CC(C)(C)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255539831 FDUKTTSBXUYBQR-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE CC(C)(C)OC(=O)NCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256015727 WUDYFIYPLIAQMW-UHFFFAOYSA-N 436.314 2.042 30 10 IEEE Cc1nc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)C[C@@H]2C)ncc1B1OC(C)(C)C(C)(C)O1 2256621398 UMHGIJBQUPOUHA-LAJNKCICSA-N 432.330 2.326 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267107642 BFYNECKDBRCBIL-MSOLQXFVSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CCC[C@@H]21 2267141328 JEBGFYPBYLELTE-BPUTZDHNSA-N 446.357 2.227 30 10 IEEE Cn1cc(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267178362 ANTSMNYVASHTOQ-UHFFFAOYSA-N 446.357 2.016 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267267048 URBBROFDNBIMPM-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)nc1B1OC(C)(C)C(C)(C)O1 2267502656 QXHUIAIPRGRPHP-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267520731 MGJLDHYOAIGHNX-LSDHHAIUSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267524502 QWJBDMOTJSHAFE-ZNMIVQPWSA-N 446.357 2.227 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267873723 RGKMZFDUBZRNDU-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE C[C@@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268714390 JNBMGOUHPMAAFF-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@](O)(CNC(=O)OC(C)(C)C)COC 2278792824 FFGFZEBLGPASLS-LPHOPBHVSA-N 427.339 2.291 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@@](C)(O)[C@H](N)C#Cc1ccc(Br)cc1 2278796067 CNXYTNHZQUYQNG-VQIMIIECSA-N 427.339 2.420 30 10 IEEE CC#CCN(CC(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300541125 DCWJTJDCLFDSDQ-QFIPXVFZSA-N 439.553 2.125 30 10 IEEE Cc1nn(C)c(Br)c1CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2371990231 LDOVUAOCXNIJIJ-UHFFFAOYSA-N 425.111 2.358 30 10 IEEE COc1c(C)cnc(Cn2cnc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n2)c1C 410001503 BRIQJWNZFKNMLR-UHFFFAOYSA-N 428.456 2.657 30 10 IEEE CC(C)c1nnc2n1CCN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)[C@H]2C 439285547 OUPXASJYGAEQEE-PXNSSMCTSA-N 439.539 2.326 30 10 IEEE COc1cccc(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 441440738 YHGQJRBBBZYFMK-UHFFFAOYSA-N 437.479 2.343 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)cc1 444848419 NPWBHWKYRXOFFR-GOSISDBHSA-N 446.577 2.326 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C 447783660 SVJHJAICIUGQQT-UHFFFAOYSA-N 432.530 2.388 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cc1 462088194 LMIOIJYUKLHZFX-IBGZPJMESA-N 426.440 2.328 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)CC2)nc1 463026648 AYYQJBWKLDLTSB-UHFFFAOYSA-N 440.935 2.475 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)nc1C 465010399 NLLSNDLMMGVSQS-AWEZNQCLSA-N 428.518 2.488 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)ccc21 470530431 HZTFBVBSKTZJIN-IBGZPJMESA-N 439.516 2.171 30 10 IEEE Cc1csc(NC2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n1 474812739 AGNOXLLHEGEWNA-UHFFFAOYSA-N 433.559 2.279 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 481515355 FEXXMXHJSYLBLI-RDTXWAMCSA-N 427.482 2.317 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1 498305561 WHPUXKYDIQYXRL-IBGZPJMESA-N 449.467 2.397 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCC#N)Cc2cccnc2)C1 499346039 WMIHMVDKZWWLOZ-SFHVURJKSA-N 431.518 2.030 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 504033161 AKWXGEBCDYWSTR-LJQANCHMSA-N 426.561 2.289 30 10 IEEE N#CCOc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(Cc6cccnc6)C(=O)[C@@H]54)[C@H]23)cc1 504102506 QGIBDGKLFHSONI-AUTRXYTDSA-N 428.448 2.154 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 508506782 GJWKCDNIJBBGHP-UHFFFAOYSA-N 434.566 2.355 30 10 IEEE CC(C)CN1CCO[C@@H](CNC(=O)CNc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543867560 YTHMWZHJRNOVKY-SFHVURJKSA-N 430.940 2.282 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c1 548534268 LKZTWZJYBQRLSZ-MRXNPFEDSA-N 436.917 2.478 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603800279 QQMVYDMMKVNVMN-INIZCTEOSA-N 441.509 2.115 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 611604666 ANIRKWGQCWBAEA-GOSISDBHSA-N 429.498 2.379 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cccc(OC)c4)CC3)cc2C1=O 641945818 CZYBYDAVZMUHTG-UHFFFAOYSA-N 433.464 2.075 30 10 IEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669809557 DTLIDFFCCWEZHA-DYESRHJHSA-N 426.540 2.183 30 10 IEEE COC[C@@H](C)N=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1ccnn1C 727972556 WXWIYIRPWOVXOM-KGLIPLIRSA-N 440.529 2.487 30 10 IEEE COC[C@@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138832 NSHBXVGBPDFCTJ-GUYCJALGSA-N 442.532 2.247 30 10 IEEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 732697234 WOFCLPSJRMNCCH-SFHVURJKSA-N 447.561 2.074 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ncccc2F)C1=O 751658120 OAYNNPAAPIYWEM-GOSISDBHSA-N 429.521 2.420 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cccc(S(N)(=O)=O)c2C)c1 754325518 KBUZRYRBLFTSTP-UHFFFAOYSA-N 429.498 2.363 30 10 IEEE Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 764216452 HWVFYYMATMZKAN-ZPHPHTNESA-N 444.289 2.199 30 10 IEEE C#CCN(C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 774044565 AOLILWOEPCMCLO-INIZCTEOSA-N 427.482 2.232 30 10 IEEE COC(=O)c1sccc1S(=O)(=O)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 780292204 INAWMIUXGOHNGM-UHFFFAOYSA-N 430.467 2.019 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1 783211712 KXSDBPFIUNNKQB-HOTGVXAUSA-N 440.493 2.102 30 10 IEEE COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)CC(C)(C)C#N 790044025 HVHZLHRORZVCHQ-AWEZNQCLSA-N 442.335 2.484 30 10 IEEE Cc1cc(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)n1Cc1ccc2c(c1)OCO2 798743575 BJLXDTOZROZQNP-OAHLLOKOSA-N 435.440 2.332 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(C(=O)NC)c2Br)n1 806737191 WQXUHGSFDVOAND-UHFFFAOYSA-N 448.321 2.319 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 825436001 DKMHPNQNRNCZND-PVABEOQZSA-N 425.466 2.292 30 10 IEEE COc1ccccc1[C@H](O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 916695149 YKIIWSBLBONYHW-DXXYHEOZSA-N 446.529 2.363 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2CCN(Cc3nccn3C)CC2)C1=O 916728827 BLLJHFWDMMAJTF-JOCHJYFZSA-N 432.569 2.334 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)c1O 1084620957 PDKDAUKPHPYGGV-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1136689237 AVEVSROWFNUPEC-UTKZUKDTSA-N 441.576 2.145 30 10 IEEE CN(CCNC(=O)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1)Cc1ccccc1 1137050835 UMQCXNOPBOOAIV-UHFFFAOYSA-N 433.552 2.131 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3c(nc2O)CCC[C@H]3O)cc1 1141821218 MRIYWDYDXUQFHB-VUSLFOADSA-N 444.513 2.222 30 10 IEEE CN1CCC[C@](O)(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 1141878430 WMFOLIUGRORTJT-HFBCPUAESA-N 436.578 2.065 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1149979962 ZTCRHZIIJHGQSM-MRXNPFEDSA-N 444.963 2.195 30 10 IEEE COc1ccccc1NC(=O)COc1ccc(C(=O)NCC#CCN(C)C)cc1OC 1151237569 VIFYUHOJWWJEAF-UHFFFAOYSA-N 425.485 2.016 30 10 IEEE C=CC1(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN(C(=O)OC(C)(C)C)C1 1160872754 QKEFIDAJBAYOOZ-UHFFFAOYSA-N 431.493 2.452 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H](CO)C[C@@H]1CCCO1 1177982266 VLEHVUOASLEFMV-WSTZPKSXSA-N 429.517 2.439 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1208403653 FQUAXOXEMYIQAN-UHFFFAOYSA-N 445.566 2.261 30 10 IEEE C=CCN1CCC(NC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)CC1 1226843709 SGTZHOBAMBEYBN-HRZDDSQGSA-N 435.565 2.189 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H](OCC=C)C3)c([N+](=O)[O-])c2)C1 1254646585 ZLHRDRYPRNUNRG-ROUUACIJSA-N 429.473 2.429 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286341084 BGEUQHIENFOFPF-CVEARBPZSA-N 436.607 2.451 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C1CCCC1 1286366243 ZFQRUUZFNZKKFB-UHFFFAOYSA-N 444.605 2.139 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Br)cs1 1286399120 ZDIYKAXSAGTAHF-UHFFFAOYSA-N 432.347 2.459 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CCCS2)CC1 1286483976 BRYCEMLDMMJLKQ-NRFANRHFSA-N 444.630 2.311 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1286517654 ULUADCNKTCRUGI-YCRPNKLZSA-N 448.568 2.134 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286545176 SSCDGYBFCQOBBE-YJBOKZPZSA-N 447.381 2.329 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1287255598 HHYFPIBGWSURNT-IBGZPJMESA-N 428.562 2.335 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1294879845 FUDCESLPFQLUAS-HXUWFJFHSA-N 447.547 2.393 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C12CCCC2 1300339805 GPRUQCKHWHWNJN-NXDJFEHLSA-N 432.521 2.341 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1300487009 DEYXYJPAWSEICS-OAHLLOKOSA-N 439.472 2.224 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCN1CCC(O)CC1 1300647731 JTXZVWLCHYUXIT-UHFFFAOYSA-N 449.534 2.361 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1(C)C 1300804205 OCRXGDPSYMTALP-SJLPKXTDSA-N 429.546 2.113 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300879102 ABKMCMUHUGNNFC-FXAWDEMLSA-N 439.564 2.457 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)CC1 1301086920 PCNHMOACXYPORN-QGZVFWFLSA-N 448.568 2.221 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1301342023 QVMMHQKIHDKGEM-RUZDIDTESA-N 443.555 2.395 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301600603 FONUHIBCIFWVMD-UHFFFAOYSA-N 430.534 2.286 30 10 IEEE C=CCSCCn1c(N2CCN(c3ncnc4c3cnn4C)CC2)nnc1C(C)(C)C 1301623360 MNLPLWDASRJPOO-UHFFFAOYSA-N 441.609 2.498 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1Cc1nnc2n1CCCCC2 1301806286 BIOPWGSWSQVSLB-UHFFFAOYSA-N 435.536 2.381 30 10 IEEE C#CCN(C(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)C 1303928094 DPYHPCPDISPQKX-QGZVFWFLSA-N 428.558 2.415 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)C1 1303950205 DHPXOSIYDPLPTN-QHCPKHFHSA-N 431.500 2.068 30 10 IEEE CCOc1cccc(-c2nnc(SCC#CCN3C(=O)c4ccccc4C3=O)n2N)c1 1307314842 XNVYCLDVVWZCKD-UHFFFAOYSA-N 433.493 2.449 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 1307942416 MDYZSCGNUQRGIQ-OALUTQOASA-N 433.597 2.200 30 10 IEEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314756588 FITHMWFBXAKEMW-QGZVFWFLSA-N 440.529 2.328 30 10 IEEE CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1315068302 IFAIVERLEGRZRY-MSOLQXFVSA-N 430.578 2.159 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1316284585 BAOAAQOECKKCMT-ZQJQTPFGSA-N 447.486 2.491 30 10 IEEE CS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1316363228 PPWTVBHETUUOBB-SFHVURJKSA-N 428.562 2.035 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2[C@H]2CC[C@H](OC)C2)cn1 1321036380 XIESNSAUFVREPZ-MELADBBJSA-N 447.483 2.471 30 10 IEEE COc1cccn2ncc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)c12 1354741731 VGQLLUYZLPSOMX-NKFKGCMQSA-N 427.486 2.408 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1358905081 RKNVQNCLHIQHGG-FYQPLNBISA-N 448.637 2.002 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CCN(CC)CC1 1358971653 DJVARGKWWCAAAI-FQEVSTJZSA-N 449.559 2.200 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COc2ccccc2O1 1358984218 MTQUUTAMKKDJAN-GOSISDBHSA-N 442.479 2.228 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)cc1 1358994140 GFALFJUVQJORKZ-KRWDZBQOSA-N 448.495 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCS(=O)(=O)C1 1359019008 ICZPASWIDSYCOO-IBGZPJMESA-N 442.585 2.269 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1359038207 NHSPNJFWPJIKKC-JTHBVZDNSA-N 439.608 2.346 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1359217266 UJNXDJHRAHFJBB-SJORKVTESA-N 448.568 2.254 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C(C)(C)C 1359853116 CESHNLMYADZKTI-UHFFFAOYSA-N 438.580 2.232 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OCC 1438910647 ZNLKQHIFLBVGRQ-OAHLLOKOSA-N 426.535 2.400 30 10 IEEE CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1443838842 FZPWUUONHRYXCA-UHFFFAOYSA-N 448.479 2.327 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CCO)CCOCC(F)(F)F)C2)C1 1446392574 WMRSYKQGKHTCEL-XAUUPUKJSA-N 449.470 2.173 30 10 IEEE CC1(C)OB(c2ccc3cc(NC(=O)CN4CCCS4(=O)=O)ccc3c2)OC1(C)C 1455336003 WAGJGQYUNQGHTL-UHFFFAOYSA-N 430.335 2.113 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCc2ncc(Br)n2C1 1463353813 BPLGZUVDRVBPII-AWEZNQCLSA-N 442.321 2.241 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1463800668 RDQFVIZDRFDEJS-UHFFFAOYSA-N 429.452 2.064 30 10 IEEE CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464040678 XGPPAXPEQVZRAS-SFHVURJKSA-N 435.546 2.005 30 10 IEEE C#CCN(CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)C(=O)OC(C)(C)C 1466479433 QKKLMBNJOSIZJP-INIZCTEOSA-N 438.322 2.304 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)cn1 1469590186 DRBHKGAINKAJEU-IBGZPJMESA-N 442.882 2.383 30 10 IEEE C=C[C@@H](COC)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1469895613 QECCTAYYTWETAP-INIZCTEOSA-N 426.558 2.125 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCS1 1494466732 GIHIZOZODBKFCM-MSOLQXFVSA-N 442.589 2.391 30 10 IEEE CNC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1503740255 GEDZWHLOXWQGGR-UHFFFAOYSA-N 444.543 2.403 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1505131805 RKKOAXDEPOKPBA-GHTZIAJQSA-N 447.536 2.207 30 10 IEEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1505325304 RCHFZQLWCYKRGY-ZWKOTPCHSA-N 438.523 2.096 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(S(C)(=O)=O)CCCC2)c1 1507550260 IKSORRUGIHQRKZ-UHFFFAOYSA-N 443.573 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2c(CC)noc2C)CC1 1507739614 JMOHOVGAIVCKJI-UHFFFAOYSA-N 447.543 2.137 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1507822641 YWVMFIPFUQHVGG-OAHLLOKOSA-N 437.591 2.107 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507842539 IWJALIBUPVQRLA-HXUWFJFHSA-N 426.565 2.400 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1)C1CC1 1507987489 DLMBZEVZRBLCGP-CQSZACIVSA-N 432.550 2.050 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCS1(=O)=O 1508041906 QOIOHBYOSCNBRW-KRWDZBQOSA-N 439.607 2.240 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1508798661 IKMCYIINBKBEIC-FQEVSTJZSA-N 448.531 2.022 30 10 IEEE CCc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)no1 1513733772 GJPVXSUXVCEVDE-WMLDXEAASA-N 441.467 2.474 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)(F)F 1513905549 BBPYPMGQSJBZOK-UHFFFAOYSA-N 449.481 2.103 30 10 IEEE Cn1nnc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1C(F)(F)F 1521755211 HTNFMNOCRZTJIV-UHFFFAOYSA-N 429.271 2.492 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OCC 1531936272 CDQMLIUWXJMSCZ-PBHICJAKSA-N 434.876 2.266 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2sccc2-n2ccnn2)cc1 1534145823 AKZQEYWIOPXJOO-LTGZKZEYSA-N 430.515 2.394 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)CC2=O)cc1 1534327617 GXPUWIIYFQUGLL-HXUWFJFHSA-N 432.480 2.392 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1534974330 ZOTOGKAZMPIECR-UHFFFAOYSA-N 429.498 2.176 30 10 IEEE CC1(N2CCC2)CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1537181231 SAAYLJBBFIIYSV-UHFFFAOYSA-N 444.601 2.482 30 10 IEEE O=C(CNC(=O)CNC(=O)c1ccc(C#Cc2ccccc2)cc1)NCc1ccccc1 1537756604 MFGHMARZQAUWLA-UHFFFAOYSA-N 425.488 2.249 30 10 IEEE C=CCn1ncc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc21 1538951867 XLMWQWGZMMBVAN-UHFFFAOYSA-N 426.498 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)cc1 1538972017 JBFUVSJVOVRXAH-SJORKVTESA-N 432.594 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1538974020 QRNQDISMUGQLPE-STQMWFEESA-N 425.942 2.057 30 10 IEEE N#Cc1ccccc1CSCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1539049975 NXTBSMWCSLHJCK-TZIWHRDSSA-N 441.528 2.251 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCNS(C)(=O)=O 1539299783 MUGNUQISUCCYKD-UHFFFAOYSA-N 439.585 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1cnnn1 1539301967 XZHBSNJCAQWCSY-UHFFFAOYSA-N 426.431 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)CN1CCOCC1 1539337022 JEFDOXHMIIZPJI-FQEVSTJZSA-N 439.535 2.427 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2)CC1 1539431509 URXOFMJJCDQACN-HYBUGGRVSA-N 439.560 2.153 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCC[C@H]2C)CC1 1539434321 HXULQWWVMFCKLW-FOIQADDNSA-N 447.381 2.342 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1539490805 IFCZNDNFLQMMHB-LJQANCHMSA-N 427.574 2.231 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539580992 UCCCQLLCINLSQM-DZGCQCFKSA-N 447.293 2.477 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539744045 XYUDZZPQVORSQT-UHFFFAOYSA-N 435.532 2.234 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1541115547 BDMWKNSCSMHUMS-FUHWJXTLSA-N 431.562 2.414 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1541129583 FUTWZYVRMHOHCC-GJZGRUSLSA-N 428.518 2.035 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)s1 1542129799 JHYQIKMUSTYOOX-KRWDZBQOSA-N 425.551 2.313 30 10 IEEE Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1542406872 OJOUPIYPBRZOQN-CQSZACIVSA-N 446.508 2.485 30 10 IEEE Cc1nc(-c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)[C@@H](C)CC#N)cc2)n[nH]1 1542889793 HYDKXGHMJKXEGY-HNNXBMFYSA-N 433.520 2.281 30 10 IEEE C[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@@H]1NC(=O)OC(C)(C)C 1544451840 YPDVUCBOZULQHU-GUYCJALGSA-N 439.509 2.498 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCOC2)c1=O 1547627886 ICEOBBFJLKGKQU-LJQANCHMSA-N 448.527 2.431 30 10 IEEE CN(C)C(=O)CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1552676219 NGFZEMFNUMIUNI-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1554516138 AYDUUDQFEHPYDV-LJQANCHMSA-N 438.532 2.368 30 10 IEEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNC(=O)C(C)C 1555121457 FEUAGBWNUYQYIL-UHFFFAOYSA-N 433.516 2.477 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1 1558208122 WSIQERLFICHVCN-HNNXBMFYSA-N 428.510 2.375 30 10 IEEE C=CCCC[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(=O)OC 1558380052 ADVUKHADLJFCGH-AWEZNQCLSA-N 447.351 2.327 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)CCO2)cc1 1558604422 OTTRCLGHYHHECY-LJQANCHMSA-N 429.473 2.352 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(COCCO)CC2)n(C2CCCCC2)c1C 1560155651 QWUCGNRSSMTSFU-UHFFFAOYSA-N 432.565 2.256 30 10 IEEE N#Cc1cccc(C2(NC(=O)Cn3nc(Br)c(Br)n3)CC2)c1 1568901588 PMRNVKFYOSGQSZ-UHFFFAOYSA-N 425.084 2.480 30 10 IEEE C#C[C@H](NC(=O)c1ccc(I)cc1-n1cnnn1)c1ccccc1 1584693480 GTURZNSAGNIDEM-HNNXBMFYSA-N 429.221 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1585297282 RKIQETYTKFVRLO-XFPOJWNPSA-N 446.548 2.445 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1586777946 OZNLMSXYWXFEDF-ULQDDVLXSA-N 436.574 2.087 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1587879352 RVVNNWNGIGNDJV-HDICACEKSA-N 444.605 2.228 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(C)noc1C 1588129130 XITLXRRONCUHKT-UHFFFAOYSA-N 441.495 2.401 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588180147 BSBABDXZDHOZRP-HSALFYBXSA-N 431.606 2.459 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1588420901 TVULYYXKTQUBAB-SFHVURJKSA-N 429.638 2.367 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CC 1588550613 VXJPBIDQVMAJTK-UWJYYQICSA-N 434.537 2.120 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2cccc(O)c2)n1 1588723948 RKXLFFQZZOZVGR-OAQYLSRUSA-N 436.516 2.366 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1593763722 QAVWJGBPIFSUER-FQEVSTJZSA-N 430.597 2.305 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)CC1 1594097124 MJYFGXFWXSDHSH-IBGZPJMESA-N 443.573 2.043 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@H]1C 1595127282 LOPKJUCFSRBCMC-LZFQIVBZSA-N 429.496 2.101 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1595222453 ARVPEFBPDAMOHR-UHFFFAOYSA-N 433.438 2.374 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1595296663 IAIOGJIOIYOKNK-GOSISDBHSA-N 445.539 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccc1OC 1595529788 IBBMWEXYWIZZPR-UHFFFAOYSA-N 427.896 2.336 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1595570110 XSWJJYPJLHPNOV-RTBURBONSA-N 426.565 2.121 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N2CCOCC2)C1 1595706095 HDUAFUKHRYUTDX-MRXNPFEDSA-N 431.924 2.239 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCN(C(C)C)CC2)C1 1595737530 CGNWGNGPJGNAAR-NRFANRHFSA-N 440.592 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCN(C)C2)C1 1595744040 IWKKFBAQODZRQB-XUZZJYLKSA-N 425.577 2.301 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1609931695 WKKDQLQUJLYICI-GOSISDBHSA-N 432.532 2.237 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CC2CCS(=O)(=O)CC2)C1 1611768901 FYNLDBHVBFGPQF-OAQYLSRUSA-N 428.562 2.219 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)N2CCOCC2)n1 1612495766 BUFAJAQRVJHBNE-QHCPKHFHSA-N 440.596 2.381 30 10 IEEE CCN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1615122251 VJAPNYMKDOMSFE-UHFFFAOYSA-N 436.564 2.082 30 10 IEEE COCCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1619915723 DHFYHGPXUVLUSV-FQEVSTJZSA-N 439.472 2.403 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ncnn1-c1ccccc1 1619981217 ZBMKHFJMZCICRU-QGZVFWFLSA-N 436.520 2.371 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2ccccc2Br)c1 1626425811 TUOLDWHXTOULHE-KRWDZBQOSA-N 439.331 2.377 30 10 IEEE COc1cc(F)cc(C[C@@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1637813047 KRONMHUKOKTHPW-CQSZACIVSA-N 433.505 2.400 30 10 IEEE COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccncc1 1639343973 BHCMSTOJYMCJEX-QAPCUYQASA-N 426.860 2.380 30 10 IEEE C=C(C)CONC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1639689919 DLFYXPBRJIGPRD-GFCCVEGCSA-N 433.324 2.144 30 10 IEEE COC1(OC)CC2(CN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C(C)C)C1 1640317017 RUIAKNVKZOJZES-HNAYVOBHSA-N 449.573 2.140 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C#Cc1cccs1 1641024132 OXGZDNSDINEWHK-ZFWWWQNUSA-N 430.448 2.479 30 10 IEEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC#N)CC1 1641259025 WAZOBQSXIZEPPT-HSZRJFAPSA-N 428.533 2.466 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1cccc(Br)c1I 1641520958 JINRLZBFDNHCSC-VIFPVBQESA-N 439.047 2.164 30 10 IEEE CS(=O)(=O)N1CCC(Sc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)CC1 1651727336 KUSJDIPYDOYHBZ-UHFFFAOYSA-N 431.543 2.304 30 10 IEEE C=C(Cl)C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC 1652125232 MPGMISYKMRMZIE-HNNXBMFYSA-N 447.897 2.102 30 10 IEEE COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1654140280 UGVSRWUNAOUTRD-RXVVDRJESA-N 441.528 2.427 30 10 IEEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)CC1 1654925990 QDMSYLJVDVVQJQ-FQEVSTJZSA-N 432.609 2.313 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1C(F)(F)F 1671494983 JMOYTJAYYGCYQK-SYQHCUMBSA-N 448.442 2.128 30 10 IEEE C=CCCCS(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1671939056 JIRWCZYJMDEBFY-CQSZACIVSA-N 434.299 2.060 30 10 IEEE C=CCn1cc2ccc(NC(=O)N3CCC[C@@H](S(=O)(=O)N(C)CCOC)C3)cc2n1 1673220658 NTNFKQVQWRHQQV-GOSISDBHSA-N 435.550 2.127 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1678463887 XIAABFILDDJZAO-UXHICEINSA-N 436.597 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 1682588321 PEUMPVDTDYZIIZ-DTWKUNHWSA-N 441.344 2.489 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1689887317 XCDODIVSHCGKEN-HDICACEKSA-N 442.564 2.355 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1689907868 OMYFSJOHRABGBC-FPOVZHCZSA-N 431.581 2.107 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)c1 1690102672 RXTJPRUTFKDDQD-JOCHJYFZSA-N 439.560 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](OC)C2CC2)CC1 1690148497 JJVOBDWGNSFHCT-NRFANRHFSA-N 439.535 2.399 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690182952 IIKZHGYSOINKEU-SFHVURJKSA-N 448.614 2.464 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690185620 BIYXWZVAQMFPHH-SIKLNZKXSA-N 433.622 2.361 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1690312825 DDJCXTNJLGRSKW-QGZVFWFLSA-N 434.537 2.475 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 1690506062 BLDMHOYZQLUVSI-UHFFFAOYSA-N 426.565 2.481 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1690604493 VPMDOIRIKYVLAB-FQEVSTJZSA-N 445.589 2.256 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690651249 FAUHCIGEPONKOK-UHFFFAOYSA-N 437.541 2.433 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1692237598 ABVCZWAAQHDESW-RBBKRZOGSA-N 437.592 2.416 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1695275133 OIAIHNBLLXRBGI-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1695479754 ULJCNUYKUURKFS-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C)cc1Br 1697381181 GYBCJZYOFXQEEG-UKRRQHHQSA-N 449.353 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1705503485 XBGPOBAYABUWRG-MRXNPFEDSA-N 429.546 2.400 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705639045 DWJMNIUGYCAZIU-UHFFFAOYSA-N 438.551 2.189 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705735927 YMAZRSLRHJWWLG-NJYVYQBISA-N 433.597 2.312 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705832172 PHJWIBBHQQXEEN-QFIPXVFZSA-N 429.496 2.305 30 10 IEEE CC(C)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706294418 UFSDMTAEMCFRKA-GRNWLOBZSA-N 428.537 2.323 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1)N(C)C 1706809282 NSILRMBPTYEJEB-MJGOQNOKSA-N 434.548 2.406 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCOC1 1711045688 JSTFPKZVMRYRAF-QGZVFWFLSA-N 426.521 2.259 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CCO1 1711360237 DXUDBGSTQILSTR-WOJBJXKFSA-N 438.532 2.117 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)coc2C)CC1 1711414934 HPDLKGFMGFTPLU-UHFFFAOYSA-N 449.515 2.448 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1711425022 FNEQNCVTFYVFLF-AEFFLSMTSA-N 446.577 2.293 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccsc1Br 1722351076 GIKFBPTXRUGXOI-LBPRGKRZSA-N 429.365 2.122 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)(F)F 1722352300 NUSIZGIAXAJUMF-CQSZACIVSA-N 428.436 2.197 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CN(CC)CC)c2)CC1 1722436734 DJFPTEASKVUQAM-QHCPKHFHSA-N 436.604 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722688334 BSLKSGSYWYNGLW-XXBNENTESA-N 425.533 2.118 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](CC)O[C@H](C)C1 1722694707 FJFJLGAEYKXTAE-WBVHZDCISA-N 427.505 2.022 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1722700210 ANZFNUUICXIMDP-UHFFFAOYSA-N 433.472 2.037 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722701574 VTERKWJKTDBQRV-UHFFFAOYSA-N 428.581 2.152 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722703038 UYHUUXYWJJEDLU-ZWKOTPCHSA-N 429.569 2.082 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1724004782 OFAWSKLCPUQQTK-BZSNNMDCSA-N 445.495 2.482 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1729177677 OKBUSRCKEBTVHW-SFTDATJTSA-N 441.532 2.254 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1740536267 CDAZOKWALVXEOB-IAGOWNOFSA-N 443.548 2.150 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1740556798 GELAQECQKPVVOE-OALUTQOASA-N 436.560 2.394 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740623079 NQSHVBJURLYLGN-PMACEKPBSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1COCCO1 1740630277 HMBOXJPYGFQYJD-OAHLLOKOSA-N 433.281 2.335 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(Br)ccc1F 1740638696 LTCOQNURDRRKGR-QGZVFWFLSA-N 444.308 2.446 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740738990 OGNGFYNAXYUGNU-UONOGXRCSA-N 446.346 2.188 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCOC1 1740769185 SZNJFETWNKOIQY-OAQYLSRUSA-N 448.593 2.100 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)O 1740940586 LVPLDRQEMHKKBX-UHFFFAOYSA-N 426.521 2.085 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 1740963252 FPUBJMAQFHCXDQ-OAQYLSRUSA-N 449.559 2.328 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1740966417 SNPDEFCZJPREEP-QGZVFWFLSA-N 426.521 2.124 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(C)CC2)C1 1740970802 QWRWEULRHJZFMI-HXUWFJFHSA-N 430.597 2.417 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)N2CCOCC2)cs1 1742582482 QHGOCHCPPLSNDO-IIBYNOLFSA-N 429.594 2.485 30 10 IEEE COc1ccc2c(c1)C(CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)=CC2 1748887796 PAGDRKLJADPTJO-IBGZPJMESA-N 436.516 2.183 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1749053311 GAYKVNJANFAITP-VBKZILBWSA-N 437.516 2.401 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749106067 WILOVERVHFYWLS-QAPCUYQASA-N 447.381 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749134460 YYCXWCHGKWDWFU-KKSFZXQISA-N 440.548 2.363 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749238956 FQGLIFZAHYXORQ-QGZVFWFLSA-N 444.511 2.145 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1749251243 APLSQWVRRBICEF-HNNXBMFYSA-N 431.006 2.096 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1749599548 GVWINCLBTNOQMH-WIYYLYMNSA-N 443.548 2.150 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CCOCC2)n1 1749633387 DRVNJNQUSNJMOY-UHFFFAOYSA-N 437.504 2.452 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749698429 SKXGCDLKZAQJEN-DENIHFKCSA-N 437.592 2.458 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1749700204 HKGBIYKHEQAUQZ-QFIPXVFZSA-N 436.560 2.445 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCCCC1 1749730741 OPYTUGZAEVDRNN-UHFFFAOYSA-N 435.550 2.376 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749754835 AIQZCNCNPIDOKR-GOSISDBHSA-N 434.610 2.429 30 10 IEEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1750109332 XXZTZKNRMRAJIO-IBGZPJMESA-N 441.532 2.364 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCOC2)C1 1750510888 YSHWQHBIHLWZCM-BDXSIMOUSA-N 446.552 2.204 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1751019302 XXOUZYPIUAYDPG-RTWAWAEBSA-N 431.516 2.127 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCc1cnn(C)n1 1760102693 OXTBIZMYNMVUDF-HNNXBMFYSA-N 439.520 2.190 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC(c2ccccc2)C1 1760195171 XXBYBLDWZNRBLH-ZJRDLVKKSA-N 425.558 2.155 30 10 IEEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccc(C)s1 1760230888 GQSDOGXAZNWCDK-UHFFFAOYSA-N 432.575 2.092 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760451473 KFLZORGGLRACHB-TZIWHRDSSA-N 432.613 2.058 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F 1760504063 UQBZLTSUZRMEGC-CQSZACIVSA-N 427.402 2.473 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1760511374 ZXPVKTOBMHIRKA-TZIWHRDSSA-N 437.592 2.267 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760523733 GWRBNRFBGOXNMG-UHFFFAOYSA-N 443.573 2.291 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760713076 IUBYHVLDACPPND-IAGOWNOFSA-N 438.488 2.093 30 10 IEEE C[C@@H]1C[C@@H](C)CN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1762722166 FJWUUSKXRICYDN-GGPKGHCWSA-N 426.569 2.165 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1762725986 ZBGZBTMLKSUDFF-HSALFYBXSA-N 443.596 2.001 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1762935536 AHOIMQLZSHVLMB-DLBZAZTESA-N 434.548 2.415 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cnn(C)c2)c2ccccc2c1=O 1765578503 GTTIMIBUFNOJSM-HNNXBMFYSA-N 431.504 2.053 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1768302212 GHVRLGQVZYONCM-MJGOQNOKSA-N 444.561 2.047 30 10 IEEE CN1C[C@@](C)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1769055609 XNCUAAOPAVCKSB-QRWLVFNGSA-N 446.964 2.431 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1769979676 YNCOINOFKBXWHI-MRXNPFEDSA-N 439.582 2.099 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1770138554 QNLXDYIMUBJOCJ-RTBURBONSA-N 441.488 2.374 30 10 IEEE COCC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770980555 AJVDAZBULGMAHR-JOCHJYFZSA-N 428.512 2.280 30 10 IEEE COCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1771071132 JZSYFWMLERZJQN-KRWDZBQOSA-N 446.508 2.182 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1771207156 GWCXFBGJXIORKQ-OVGZCAFISA-N 446.552 2.155 30 10 IEEE CCOc1ccc(-n2nnc(C(=O)N3CCN(CCC#N)CC3)c2-c2ccccn2)cc1 1848533476 BBHRWVHZNFKHFJ-UHFFFAOYSA-N 431.500 2.399 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1)[C@@H]1CCN(C)C1=O 1848749890 JSFYOUQIQKLHLB-UONOGXRCSA-N 445.994 2.048 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(CC(=O)Nc3ccccc3C#N)CC2)cc1F 1851919480 YOTGYONCCQCUII-UHFFFAOYSA-N 449.490 2.043 30 10 IEEE C=CCN1C[C@@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccc(OC)cc3)cnn2C)CC1=O 1852761812 BMVAUYWBQFMVBI-KRWDZBQOSA-N 449.515 2.017 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccccc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855733830 BOFXXEGJKYYXLF-AWEZNQCLSA-N 431.901 2.202 30 10 IEEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)CC1 1857193593 JLOQERSMLPGBBC-HNNXBMFYSA-N 439.484 2.297 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862564630 DXXYDGOCOWNQMH-IBGZPJMESA-N 441.484 2.132 30 10 IEEE C#CCOc1cn(CCCN(C)C)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871006162 RYHMLFLBCCFGPX-UHFFFAOYSA-N 437.588 2.176 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664205 FWMFHTSHBGQRQK-UHFFFAOYSA-N 447.543 2.401 30 10 IEEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 1890307979 KMRFETDUNHIKPX-OAHLLOKOSA-N 445.010 2.154 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 1891375894 YVLUYQUTRHDYOE-UHFFFAOYSA-N 436.440 2.276 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)C1 1892051213 KYRJZUBNLKCDQP-CTNGQTDRSA-N 446.956 2.480 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2014424736 CTBTYGMFXACWTI-SLFFLAALSA-N 428.533 2.153 30 10 IEEE CC(C)(C#CC(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2023918755 XHXNEFOLJRUCSC-UHFFFAOYSA-N 439.553 2.171 30 10 IEEE COC(=O)[C@@H](CC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 2060636612 ZSDYTUSSPYMBSG-OAHLLOKOSA-N 438.330 2.233 30 10 IEEE CC(C)(C)OC(=O)N1CC=CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060639884 NBCKNWITVKVJEV-OAHLLOKOSA-N 430.314 2.280 30 10 IEEE C#CC1CC(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)(C(=O)O)C1 2247557860 KHQLIIXBUGTWPI-BISSLNBESA-N 430.501 2.469 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905314 HBITUFBJXATUHP-CHWSQXEVSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255615134 JNBRBVWDLQSVPR-CQSZACIVSA-N 434.346 2.086 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843959 OIMSBFOUADLYIF-CQSZACIVSA-N 434.346 2.151 30 10 IEEE C[C@@H](CCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255875475 YLLDHXQHOINYLC-AWEZNQCLSA-N 434.346 2.199 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2256927415 FNMNYLOAUXROFS-HNNXBMFYSA-N 446.334 2.151 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258234505 CTPAMQVFKAXBSW-LLVKDONJSA-N 447.288 2.116 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267012015 NZAYPPZYLKVXKT-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139265 DIQUYFIAOMMMQD-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1 2267150622 VBBQRKWLOVZLHP-GOEBONIOSA-N 448.373 2.187 30 10 IEEE Cc1c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267494865 WEMBMTHWKBGXFC-AWEZNQCLSA-N 448.373 2.013 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)n1 2267505654 LSZWBLHKZHLQPW-HNNXBMFYSA-N 447.341 2.360 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517011 MIZRZDDVFKWTIR-HOCLYGCPSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCC1 2267580455 GSRLLRTXAGQLPX-UHFFFAOYSA-N 446.357 2.249 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1 2296940671 WTNSIKILKBJQKG-IBGZPJMESA-N 442.424 2.034 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccccn1 2326765573 UJMPWLHLKSMVGM-UHFFFAOYSA-N 427.486 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)c(C#N)cc1F 2333602087 ATYSFRDLDLGBQG-ZNMIVQPWSA-N 430.274 2.213 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(Nc1ccc(Br)c(C#N)c1)C(=O)O 2348630440 QGNNHQPRWWVVEQ-CXAGYDPISA-N 426.267 2.480 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 9981107 UTDIWRGDNPMEHZ-UHFFFAOYSA-N 441.553 2.320 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCN(Cc3ccccc3F)CC2)cc1 109968542 SURBZIDJIZBRAD-UHFFFAOYSA-N 429.517 2.347 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(S[C@@H](C)C(=O)N(C)C)[nH]1 253572824 QQJJUGFPUILUJC-OMBDHMDGSA-N 441.565 2.380 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2I)CC1 391491568 DPLNCFOGWBOKAT-UHFFFAOYSA-N 447.704 2.005 30 10 IEEE N#C[C@@]1(N)CCC[C@H](n2cnc(I)c2I)C1 404004744 MSQPMZZHOVTODB-OIBJUYFYSA-N 442.042 2.428 30 10 IEEE Cn1cc(-c2nc3ccccn3c2NC(=O)N2CCN(c3ncccc3C#N)CC2)cn1 465230457 AABZSJAHZKACER-UHFFFAOYSA-N 427.472 2.356 30 10 IEEE CN1CCN(Cc2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cc2)CC1 469024796 MNSRWPKEYGAPBN-JOCHJYFZSA-N 449.580 2.459 30 10 IEEE CN1CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1C#N 474783795 MRQRXYVYWZVMRQ-SNVBAGLBSA-N 434.075 2.333 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2)CC1 489184364 ODIDWHGCKFWCHR-QHCPKHFHSA-N 431.540 2.231 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)ccc1Cl 497320758 XXTVJFDXEFFJDX-FQEVSTJZSA-N 444.944 2.323 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 505668259 FREPQTDFLOKDJH-PMACEKPBSA-N 434.521 2.385 30 10 IEEE CCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(C)cnn2C)c1=O 505693933 JJOHYURMJSCQEH-UHFFFAOYSA-N 436.537 2.146 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4ccc(CC#N)cc4)CC3)C2=O)n(C)n1 505976124 MRVPMVQOHKCBHC-FQEVSTJZSA-N 435.532 2.140 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N(CC)Cc1ccccc1 507494554 XVJSOCFLAAWCHM-UHFFFAOYSA-N 425.514 2.349 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(F)cc1 514331516 UUWRGCFXNBOXCC-UHFFFAOYSA-N 427.526 2.375 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H](C)c4cccc(F)c4)CC3)CC2)o1 537680569 JLVMPKWUKXVWIS-KRWDZBQOSA-N 440.523 2.021 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 549731799 ZFIWSXKBOSMODH-IBGZPJMESA-N 429.496 2.480 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 555238121 DGSLNZYVQSMBFU-ACRUOGEOSA-N 425.533 2.441 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 569030756 LRPCQGYMOHDLKI-FQEVSTJZSA-N 448.589 2.176 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 586301417 ZSUZTCJVOQFUAZ-LJAQVGFWSA-N 427.507 2.092 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cc1C 589761824 IWQBKGKYYHJBSJ-UHFFFAOYSA-N 445.544 2.306 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@]2(CCOC2)O1 619524336 UKUUZEOTOVEKKS-QHCPKHFHSA-N 436.468 2.481 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742213262 FZPZKIDCBOMHJV-QDXKRRSBSA-N 444.557 2.498 30 10 IEEE C[C@H](CC(=O)O[C@H]1CCN(Cc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 744152839 YFUAXMFLHSRZAF-AEFFLSMTSA-N 427.526 2.321 30 10 IEEE CCOC(=O)[C@H]1CN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 746675307 SIWGHFUBUJIUJK-LJQANCHMSA-N 428.489 2.210 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC2(CO)Cc3ccccc3C2)cc1 751543166 NAMDDFXSVNKTDR-LKUDQCMESA-N 442.541 2.151 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCn2ccnn2)c1 752526959 QAGVAGREYSLIRE-PTGBLXJZSA-N 433.538 2.083 30 10 IEEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O)c1cccs1 774297471 NBGJAEDIAYXOLS-VUODSXKGSA-N 440.635 2.338 30 10 IEEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 780205578 MOEZYQYNJJQZSJ-WXRXBJDKSA-N 425.485 2.318 30 10 IEEE Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c1C 782620960 RILXWJWHZDKITG-UHFFFAOYSA-N 440.326 2.039 30 10 IEEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782885492 ULBKEBFTLQKDSE-GWCFXTLKSA-N 448.442 2.350 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)n1 788901912 ULVGMZAVLCFYGI-UHFFFAOYSA-N 440.544 2.431 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1C#N 801694042 WSRGEVMDRUKQNB-UHFFFAOYSA-N 435.506 2.158 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)c1 803922593 RWGPDVMDGQLDHR-LJQANCHMSA-N 448.516 2.230 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 915098905 GFXAEQHREKBCAG-SFHVURJKSA-N 445.545 2.290 30 10 IEEE CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916872339 BBFRESKLGFNYGH-QUCCMNQESA-N 431.508 2.247 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCCC(=O)N(C)C)n[nH]1 1084103035 BTCFOARNCPRVCQ-UHFFFAOYSA-N 441.565 2.381 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1 1084552292 HNAKYWOZGOTKIQ-UHFFFAOYSA-N 433.444 2.456 30 10 IEEE C=CCn1cc(C(=O)Nc2ncc(Br)cc2I)nn1 1127120654 AKEQPTUYMXRYBQ-UHFFFAOYSA-N 434.035 2.479 30 10 IEEE CC(C)(C)OC(=O)c1cncc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 1130226274 MQWLPSRXJPHBMO-UHFFFAOYSA-N 430.486 2.481 30 10 IEEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 1134490678 WKWHOOCODCMIID-LUQKVYGDSA-N 435.546 2.307 30 10 IEEE Cn1cc(CN(CCn2ccnc2)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1140378008 NMPNHSNENPNMBH-GOSISDBHSA-N 429.525 2.233 30 10 IEEE C#CCC1(NCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)CCCCC1 1176431828 KCVGAZSPCCPWIT-UHFFFAOYSA-N 431.581 2.492 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cc1 1190445451 FCFHPEJWKPIGDE-UHFFFAOYSA-N 433.429 2.471 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C)c2OCc2ccccc2)CC1 1209638515 GEKAYASBXNWKJE-UHFFFAOYSA-N 442.541 2.191 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)C2CC2)n1 1278743651 OSVKKTGYCUXLRG-OAHLLOKOSA-N 427.505 2.225 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1C 1286276701 SMFPTXYSUGKIHT-AWEZNQCLSA-N 440.577 2.095 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286301900 PXJBJRZIMNUMIW-SIUCFOQUSA-N 434.500 2.150 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286356250 MOZTYZFNPAUAEC-QGZVFWFLSA-N 430.553 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCNC(=O)c1ccccc1F 1286427458 AIRVMQOBOBSJHU-UHFFFAOYSA-N 430.487 2.296 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1286459017 HNOQRVPFPNQVCG-RBUKOAKNSA-N 435.528 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)OC)CC1 1286493081 DPRBHFZZFIRPEF-UHFFFAOYSA-N 430.578 2.025 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1286546879 BDGINYLQAUWCJU-ICSRJNTNSA-N 441.580 2.482 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1286593599 NFWZUTNMOLKZTM-CVEARBPZSA-N 428.541 2.195 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286628693 FFCOWPNDTZKUEJ-UONOGXRCSA-N 426.930 2.008 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OC)C1 1286800132 GMMDDPCGYVYBIQ-FUHWJXTLSA-N 449.577 2.035 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCOCC1 1288517979 HOGOOBUMADFGIK-HNNXBMFYSA-N 430.509 2.330 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)COc1cccc(C#N)c1)C2 1288828327 CHEGHRRWQDHZTE-SAHWJRBASA-N 443.500 2.242 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)C1 1288974019 AFOTYGMRKUEIHU-GCJKJVERSA-N 430.553 2.230 30 10 IEEE CCn1cc(C(=O)N[C@@H](C#N)C2CC2)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1293117101 POTZSQGMYOPMQA-SFHVURJKSA-N 427.936 2.459 30 10 IEEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1295211405 JQHYXYCEYMVMOS-UHFFFAOYSA-N 432.477 2.168 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CS(=O)(=O)c4ccccc43)C2)C1 1295338115 HNLOGEZBNWRJGL-MMZUESARSA-N 445.541 2.418 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1300498307 IWPTWLFRZHRJTA-GOSISDBHSA-N 434.537 2.061 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NC(C)C 1300649678 OOWDITKXARZWLU-RXVVDRJESA-N 443.523 2.306 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)c(F)c2)CC1 1300706890 UGFGMSSHTMKMLX-UHFFFAOYSA-N 425.487 2.221 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1300806424 VBYFLEUXIHRAJY-GHTZIAJQSA-N 430.530 2.217 30 10 IEEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1301036561 HYQUMDYUYFJLFT-MRXNPFEDSA-N 431.990 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](COCC)C1 1301577362 IMVQWCOIBQADLZ-MRXNPFEDSA-N 448.545 2.137 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1302250976 DVJHXAJXTABMSP-UGSOOPFHSA-N 444.458 2.384 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1303635705 CQACJWNDBMBDJA-KRWDZBQOSA-N 435.532 2.337 30 10 IEEE CC[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(=O)(=O)CC 1305572690 VWGRWLZKMGOMKU-QRQLOZEOSA-N 430.578 2.474 30 10 IEEE C#C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccccc1 1309619756 ZPZFKSQHFZMODU-SFTDATJTSA-N 428.510 2.318 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OC 1309864379 TWRIUDWAUOFFOU-GOSISDBHSA-N 436.534 2.267 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2ccc3ccc(Br)cc3c2)c(=O)nc1O 1313218040 AHQWHVONEWHLJI-UHFFFAOYSA-N 442.273 2.236 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](OC)C2)c1=O 1313849325 IBVZHLZGAKFQOB-HXUWFJFHSA-N 434.500 2.184 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)CCOC1 1314137949 HJIFEAPKHLGRSP-DNVFCKCGSA-N 446.596 2.169 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC=C(Br)C2)C1 1314925136 ZLBVLCSBYATNDH-HXUWFJFHSA-N 443.349 2.372 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCSC4(CCOCC4)C3)n2CCOCCCO)c1 1316531313 NNPFEOBSRPPEML-UHFFFAOYSA-N 443.573 2.318 30 10 IEEE COCCCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 1351305341 RAKDHXBOCWTZSF-MRXNPFEDSA-N 441.532 2.307 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1354241871 BEKJVXXJAVOKTP-NQIIRXRSSA-N 449.573 2.227 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCNS(C)(=O)=O 1358938683 HSXBOMFHCHQJMA-AWEZNQCLSA-N 425.942 2.080 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1358944003 DBTKRTGMWIDZTH-SFHVURJKSA-N 427.549 2.390 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CC1 1359015754 CZNKOFRMTDNQRJ-UHFFFAOYSA-N 442.520 2.035 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359053125 CCTATYYMWGMNRT-FQEVSTJZSA-N 438.601 2.054 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359054474 WYJQAPFECSMNEK-OAQYLSRUSA-N 426.521 2.282 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359057442 ZJDYHYBTIZLPTN-HXUWFJFHSA-N 439.585 2.040 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1359221988 VNIXYYFPZFFYLT-UHFFFAOYSA-N 444.580 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC(N)=O)c2)C1 1359320129 MGRMDFLDFOKLSA-UXHICEINSA-N 441.532 2.213 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359345463 GXEGIVFAMSGOQD-ZIAGYGMSSA-N 433.500 2.476 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1435553228 QPNQRRFMTYAZMH-SJORKVTESA-N 441.536 2.363 30 10 IEEE N#Cc1cc(Br)c(OC(=O)Cn2cnc([N+](=O)[O-])n2)c(Br)c1 1437082328 MNRKNOIYEALAQU-UHFFFAOYSA-N 431.000 2.189 30 10 IEEE N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1437083811 PLSHEFHZIVNNTC-QFIPXVFZSA-N 426.494 2.167 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)CC2(C#N)CCOCC2)cc1Br 1449755342 JJAGSEAQXDLKRX-HNNXBMFYSA-N 425.323 2.435 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)CCNC2=O 1453282601 CVQSHDFNKNYOJR-GOSISDBHSA-N 440.525 2.209 30 10 IEEE C=CCOCCCNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1453528063 VSYUWTJVVLDDEZ-UHFFFAOYSA-N 428.346 2.415 30 10 IEEE CN1C[C@@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1463084167 BSBIUYGFVLCFBY-IBGZPJMESA-N 426.517 2.342 30 10 IEEE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1463812495 KOWGIGASPNZZFH-UHFFFAOYSA-N 426.542 2.374 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 1470500058 STMNIIIPCGLLBT-HTAPYJJXSA-N 447.557 2.118 30 10 IEEE CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1471799413 LNTWKEBSZJEQFV-YOEHRIQHSA-N 426.452 2.182 30 10 IEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cc2ccc(C)c(C#N)c2)CC1 1473254599 JXOLIKHOCMGZIC-UHFFFAOYSA-N 431.514 2.370 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC(=O)NCCC(=O)OC 1479096596 BOMRTJFBPSRTCA-UHFFFAOYSA-N 444.301 2.355 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1503530281 IVHXXMHLYWRYQY-VGOFRKELSA-N 441.557 2.159 30 10 IEEE COCCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOC 1504887815 DXWXQTOLQHVFTF-UHFFFAOYSA-N 436.557 2.405 30 10 IEEE N#Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOCC2)o1 1505316735 LAXMWXMGLPMGGV-UHFFFAOYSA-N 426.864 2.211 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CC(F)(F)F 1507520582 DSUXQGFQRPGBGS-CQSZACIVSA-N 443.495 2.301 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507528198 LVDTXKVDRQXKBN-ZWKOTPCHSA-N 438.557 2.414 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC)C1 1507557545 LVTFJIRHBYHRNI-SFHVURJKSA-N 432.546 2.004 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507581288 PUIRTDZFPBZIRI-NHCUHLMSSA-N 449.603 2.380 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507590879 HKJCFNHLXQKXGH-UHFFFAOYSA-N 447.518 2.242 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1507787474 HRQLOXYHKNKNOE-UHFFFAOYSA-N 431.338 2.279 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1507955395 XXIFEWKOXQFNSF-KKSFZXQISA-N 434.537 2.383 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1507982826 WOMMFBMYCDNPFE-AWEZNQCLSA-N 431.484 2.490 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(OC)CCOC1 1508017825 ISMWZSQUKRUNTG-OAQYLSRUSA-N 446.577 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(c2ccnn2C)CC1 1508138136 WVYSAPAJUZJNIL-UHFFFAOYSA-N 443.577 2.002 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1510673532 MOSROENUVDRPKX-SJLPKXTDSA-N 430.578 2.341 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC(F)(F)CO1 1513019714 MNMRZGKSMIWOFZ-HOCLYGCPSA-N 448.522 2.456 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1518847043 SDMIMZOOVJBQSL-SGRLSNSRSA-N 428.537 2.010 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 1538667412 HJLUYFNATWOOJY-OAQYLSRUSA-N 447.944 2.287 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccs1 1538982027 AWQTUCDGPDYYRG-OAHLLOKOSA-N 444.586 2.353 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(CC)C1CC1 1538983867 YRHXDLWJNHSTQK-KRWDZBQOSA-N 444.605 2.138 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](OC)C2CC2)c1 1539040509 UWEQNOGOMNMXSK-FQEVSTJZSA-N 431.500 2.216 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539132334 IPHWSFYEWUVDHA-MRXNPFEDSA-N 428.562 2.178 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539216972 YKTOYPFPAAYBMB-QUCCMNQESA-N 433.622 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCN(C)C1 1539300657 FLYNIRFNCHHQSK-OAQYLSRUSA-N 442.361 2.237 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CCC1 1539403619 VBVHDXZVMBOPNA-UHFFFAOYSA-N 437.953 2.047 30 10 IEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1)c1ccccc1 1539767022 IADXEXUXIDQZTR-QFBILLFUSA-N 431.562 2.171 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1540013181 LQIQMQLPMPDYKU-MRXNPFEDSA-N 443.577 2.276 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(COC)cc2)C1 1540892772 RFJDOOKKQUDLHB-VQTJNVASSA-N 446.573 2.156 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1540894440 XUWHWXRFDOYIJL-QUCCMNQESA-N 430.574 2.393 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1541233179 FREPKULAKUGIIO-YFWNDERMSA-N 440.573 2.079 30 10 IEEE N#Cc1cccnc1NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1542362135 LRNMVVRUTUWOCR-CYBMUJFWSA-N 439.950 2.050 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CC3)n[nH]2)cc1 1544855263 OVLAFLYSWVNBCE-XIEYBQDHSA-N 430.534 2.456 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547748998 IBVNYAUXQYRJKR-SFHVURJKSA-N 441.605 2.269 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C#N)o1 1548301011 IAFYNQWQFFVMHH-HNNXBMFYSA-N 428.518 2.421 30 10 IEEE CO[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C(F)(F)F 1554621923 AOAXGGQPGBJQAJ-CABCVRRESA-N 449.499 2.278 30 10 IEEE COC1(C(F)(F)Cn2c(C(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1554675372 BRRQVOPJMFERCH-QGZVFWFLSA-N 438.523 2.409 30 10 IEEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457909 SXDIEEIZIWOICF-SFHVURJKSA-N 434.525 2.184 30 10 IEEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 1558799958 WFWWXMRZMUUIIV-WMZHIEFXSA-N 434.540 2.217 30 10 IEEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(C)c1OCc1cccnc1 1558805779 UZSKFMLXDSMITE-UHFFFAOYSA-N 431.452 2.109 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCN(O)C2=O)c1C 1569560263 HYCMTJCMXZVLEL-SFHVURJKSA-N 431.514 2.441 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1569724957 KCPJLTWHNFYQKT-KRWDZBQOSA-N 436.530 2.043 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C2 1583061181 MHVFPSYDXJHLIZ-INIZCTEOSA-N 433.580 2.254 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 1583266797 FKRFHBYEDDYCKC-QGZVFWFLSA-N 429.498 2.423 30 10 IEEE COc1cccc([C@H](CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)OC)c1 1585443888 ANGJUHYQHWCPRU-KDOFPFPSSA-N 431.514 2.016 30 10 IEEE CC(C)[C@@H](O)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1585603238 ZSKGZNVCQOVRKN-IPHXSNPTSA-N 429.542 2.378 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1588050394 SBVGDZZYYWNYAQ-IBGZPJMESA-N 428.558 2.058 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCOC[C@H]1OC 1588093712 NPGXJLFJTZOUII-CRAIPNDOSA-N 446.349 2.170 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCCN3CCC[C@H]3CO)C2)C1 1588313521 QZIIJSNBQVFPRB-FSTYKVKCSA-N 434.581 2.126 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)OC 1588473946 ZRKLPYLAQPYLHF-OAHLLOKOSA-N 437.541 2.092 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589059748 JCAGLSYWAZXIKT-LJQANCHMSA-N 444.649 2.435 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1589544024 DWYVNQOUQPSDFI-OTWHNJEPSA-N 433.578 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1589568271 IPGNQVSTNUSWJF-SJBKTWHCSA-N 433.597 2.344 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCC(O)CC2)CC1 1594122898 YQUZUXLWMVJCTB-UHFFFAOYSA-N 444.605 2.273 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1595204574 FXJNTDWJXVOHSS-UHFFFAOYSA-N 428.537 2.295 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2nccs2)C1 1595569166 BFCMLBXYCLCTSG-SFHVURJKSA-N 438.557 2.400 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(F)(F)F)c1 1597803430 HSFVBDAIMZTATK-MRXNPFEDSA-N 432.314 2.482 30 10 IEEE Cn1cc(CNC(=O)Cn2c(S)nc3ccccc3c2=O)c(-c2ccc(C#N)cc2)n1 1611461927 DPDIRVXMBJVFIG-UHFFFAOYSA-N 430.493 2.274 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCSc1ccccc1 1611686395 GDMHUGYSIQWOHZ-KDOFPFPSSA-N 438.554 2.123 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 1612144294 DCFUTXPKNQKXRN-SFHVURJKSA-N 447.561 2.108 30 10 IEEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1612449364 DBGIPPBYZZQXBM-CVEARBPZSA-N 441.561 2.280 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1612836973 HCBIBVCQRRJOSM-IRXDYDNUSA-N 431.562 2.360 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1617913754 XXJBBUHBRJCZKG-SFHVURJKSA-N 432.483 2.019 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1619854162 IARIPLCNKFULGL-DGGJZMOXSA-N 434.581 2.084 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1 1619922651 IYUBSSIPCHAGNG-HXUWFJFHSA-N 426.435 2.264 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1619988962 AIWVTZYMHXCPAM-JYWFKMLOSA-N 437.516 2.172 30 10 IEEE CS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1620165566 DZXYCPBWZZKGAN-UXHICEINSA-N 436.541 2.052 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cncn1 1620358168 FBBPMHNAQSCJDB-UHFFFAOYSA-N 430.314 2.457 30 10 IEEE CCC1(CC)CNC(=O)[C@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1620612529 HKLPKSQUKUVPLV-HRAATJIYSA-N 441.576 2.250 30 10 IEEE C=CCn1cc(CNC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)nn1 1626976850 FGYARCPCMFNZJG-UHFFFAOYSA-N 425.493 2.155 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCc3ccc4c(c3)OCCCO4)C2=O)cc1 1634918547 JHASRLBAYRXSNT-FQEVSTJZSA-N 434.496 2.362 30 10 IEEE CCn1c(=O)nc(O)c2c(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc(C(C)C)nc21 1639646688 VVILXXUQSCKNQF-UHFFFAOYSA-N 426.473 2.118 30 10 IEEE C[C@@](CO)(c1ccc(Br)cc1)N1CCN(c2cnc(C#N)c(C#N)n2)CC1 1643302470 ZRWDXANUSYZNOM-LJQANCHMSA-N 427.306 2.012 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1 1645140664 BZVNFADOTCNPTM-OAQYLSRUSA-N 447.944 2.398 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)C1 1645275015 YVYISKWKCPJBEV-GOSISDBHSA-N 431.583 2.097 30 10 IEEE C#CCn1ccc(CN(CCOC)C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)n1 1645480251 QRTJLHLXHOJSNR-DEOSSOPVSA-N 440.544 2.128 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccnn2-c2ccccc2)s1 1645673237 MVODFSGLVWUQFK-UHFFFAOYSA-N 430.555 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1649538280 QCUSERZXZSUZGW-SXWKCWPCSA-N 433.597 2.278 30 10 IEEE CC(C)(C)NC(=O)CNC(=O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655767584 RKIWNPCGZRLACJ-IUCAKERBSA-N 439.347 2.120 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC[C@@H](O)COCc2ccccc2)C1 1681433388 GSONRGZSRNSXSE-IPMKNSEASA-N 432.521 2.012 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3CCN(C(C)(C)C)C3=O)c(C#N)c2N)cc1 1686885544 WFSIMVGGSIHMHU-IBGZPJMESA-N 437.548 2.266 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1689830504 ASGKMSHFXQDHOW-HXOBKFHXSA-N 425.533 2.186 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1689851325 OSNNHZWKXFCTEA-DLBZAZTESA-N 444.605 2.358 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCSCC)c1 1689870339 KTXPFOWKRFSQMX-GOSISDBHSA-N 440.573 2.429 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1689926278 LRUIAXSZRDHJMC-KRWDZBQOSA-N 447.543 2.316 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1689941352 NGDOMZNDUJWNOF-SQNIBIBYSA-N 442.564 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1690007973 PTHVCBUNPNJFQV-NRFANRHFSA-N 442.361 2.155 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCCCO1 1690013325 KJVIJUSQLJVINT-SFHVURJKSA-N 440.573 2.270 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N1CCN(CC)CC1 1690021444 VOXNYZJKGJDBPH-LJQANCHMSA-N 440.542 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690056419 RJCZGCLLPWDXNI-XZOQPEGZSA-N 433.556 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C)c2)CC1 1690137725 HIONSMJWKNBFEX-LJQANCHMSA-N 439.560 2.325 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690245665 LHDDCWCRUOHBJD-XNTOXWQXSA-N 433.597 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690667910 MCSYLTZZQDYGRE-UHFFFAOYSA-N 439.495 2.050 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](CC)C2)cc1 1690679333 QXLZMYMCOMFWTC-FUHWJXTLSA-N 449.577 2.117 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)OC(C)(C)C)C1 1690684475 GMHMCIOEQLUPDM-KRWDZBQOSA-N 448.568 2.210 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)C1 1690684489 GROATPRZJPROOC-GJZGRUSLSA-N 434.447 2.131 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1(C)C 1691315816 VBBPCYAKHXBKQY-KZNAEPCWSA-N 444.580 2.359 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1692571782 GDGSYLUESRLCMO-LJQANCHMSA-N 446.577 2.356 30 10 IEEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)cs1 1694601843 NGGGQFIKXPZRNN-CQSZACIVSA-N 439.545 2.496 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(OC)CCC(C)CC2)CCOC1 1696085966 GHXPDMQEIUKNJR-CCMYNQISSA-N 433.553 2.254 30 10 IEEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1696714447 OAHFCJCZHWWSIP-IBGZPJMESA-N 446.515 2.070 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1697030618 DUGGZCPAFJMMIP-LJQANCHMSA-N 439.516 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705495510 RCUCHNLWRSAMDD-HOCLYGCPSA-N 430.530 2.194 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705507586 HOFDWCQFCLWZEH-UHFFFAOYSA-N 436.560 2.243 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705566729 QTXMWKSOVALLSC-MRXNPFEDSA-N 434.949 2.493 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1SC 1705582587 DXJWUTPHAZSEGH-OAHLLOKOSA-N 432.546 2.162 30 10 IEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1705736488 UJLYEWPLUXTDBD-UHFFFAOYSA-N 438.532 2.314 30 10 IEEE C=CCNC(=O)Cn1c(N2Cc3ccccc3O[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705908074 HDPYNNWPKZCBNW-HXOBKFHXSA-N 441.532 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OCC)C1 1705931563 TZQPXERAZINCBO-SFHVURJKSA-N 449.533 2.459 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1706174168 GGZWMHPZNMQCBG-MRXNPFEDSA-N 430.484 2.261 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(C4CCC4)n3CCOCCCO)CC2)c(F)c1 1712881077 LUAODLOYGPNGOO-UHFFFAOYSA-N 428.512 2.282 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1722274856 AHIXPFRTNNAXAR-ZWKOTPCHSA-N 444.605 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(OC)c1)N(C)C 1722387129 HCXBGHLRQJDPKC-NRFANRHFSA-N 436.560 2.191 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722401898 CSRMRHWDVBZITM-YESZJQIVSA-N 425.599 2.189 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722498530 BEPZVTQHTZSYJO-AVEIZBFRSA-N 426.583 2.369 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1C(C)(C)C 1722498702 CSVAIHHUBASUTM-DOTOQJQBSA-N 425.599 2.075 30 10 IEEE C=CC1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1722577630 MFEVPSUTNWWKRR-UHFFFAOYSA-N 425.624 2.327 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722579530 HRRUSFYOKYMNIP-KRWDZBQOSA-N 438.985 2.124 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722607841 LFFUHGUKGOLIGA-HXUWFJFHSA-N 426.565 2.238 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1722630080 UXNNPIMSFSLQAD-CQSZACIVSA-N 445.383 2.262 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1722659587 XQBBFDGXGNNSNZ-LJQANCHMSA-N 440.573 2.349 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1722708095 JLSANUKUODDFBR-HXUWFJFHSA-N 427.549 2.431 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722709694 WDWBZSQQOGRHQL-UYAOXDASSA-N 446.596 2.236 30 10 IEEE CNC(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CC#N)CC1 1729715568 GCNYCGWRKXAMLY-UHFFFAOYSA-N 442.520 2.237 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1730401254 GGPTWVXSWBKKLL-FPOVZHCZSA-N 433.516 2.337 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)c(OC)c1 1730872714 DPCXSFRDZMUMEE-GDBMZVCRSA-N 435.912 2.441 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740624871 KZEAJAVDUKBJTM-JYJNAYRXSA-N 434.512 2.430 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740626599 MGZFFCRIYJAGOK-PXNSSMCTSA-N 444.557 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C2CC2)CC1 1740647712 YXEWBQQIYJSNJR-DEOSSOPVSA-N 425.577 2.268 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(O)(CCC)CCC)CC1 1740699258 ZSDUMFGTEBLUGJ-UHFFFAOYSA-N 427.597 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N(C)c2ccccc2)CC1 1740707890 UKYKWQJINOUQRU-LJQANCHMSA-N 438.576 2.305 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740717867 BRFWYQVHBUHYOG-LJQANCHMSA-N 444.605 2.466 30 10 IEEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)N1CCOCC1 1741260042 GUMRENNUUXRSPJ-UHFFFAOYSA-N 442.589 2.393 30 10 IEEE CC(C)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCS1 1741404891 KCHWUTWRHMCITP-WMLDXEAASA-N 435.575 2.271 30 10 IEEE Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)on1 1742898162 RYWKFAHHJCUURB-CQSZACIVSA-N 432.282 2.120 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1743892245 CDISEPXMYKWQGH-CQSZACIVSA-N 427.509 2.051 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@](C)(C#N)C1 1747427503 HWENVEBIBBFJGY-OAQYLSRUSA-N 445.593 2.450 30 10 IEEE CN(CC1CCCCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1747837117 RYQCDILVXDKPAA-XUTLUUPISA-N 438.536 2.222 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1748132892 DXHFTBMTVZFKCR-ROTAYESASA-N 440.573 2.080 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@](C)(O)CCOC 1748800240 UDLBDFWACSPZKE-LJQANCHMSA-N 437.338 2.477 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748817656 NRRDFHYEWQLNQH-BBWFWOEESA-N 442.532 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCOC)CC1 1749016396 CXZAXPYXOWRKTP-UHFFFAOYSA-N 430.578 2.026 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1749089651 BSJRFAWQKLVWJH-GFCCVEGCSA-N 428.298 2.425 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749356022 VYPASLYGNUVJHZ-QGZVFWFLSA-N 428.493 2.407 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749406995 RVSIZMODHLVNFA-UHFFFAOYSA-N 443.596 2.485 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CF 1749531046 FCVJJJFNEHFMTG-JCGIZDLHSA-N 432.525 2.483 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749650351 TWOJYHQXRDHAFJ-QGZVFWFLSA-N 440.548 2.453 30 10 IEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1749763858 KXPCRNTZJQXINX-UHFFFAOYSA-N 426.539 2.150 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760201084 HCXGCFWROPIXKD-KRWDZBQOSA-N 425.537 2.254 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 1760516764 UYYMDFYOBFVSJO-FQEVSTJZSA-N 438.576 2.427 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1766250328 WYOGOTVCQVTIGQ-UHFFFAOYSA-N 444.543 2.373 30 10 IEEE CCN(C)C(=O)Cn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766383767 FTWLEMDPQGUMGP-UHFFFAOYSA-N 445.527 2.077 30 10 IEEE CCN(CC1CCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766806688 MVJXIXNXHRROQG-JLUOLNIDSA-N 428.537 2.325 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1)C(F)(F)F 1768054142 DPIFZPCVCQNVGV-HNNXBMFYSA-N 427.452 2.353 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1769149957 BZTVQQUBOHTWJQ-UHFFFAOYSA-N 445.483 2.061 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2ccco2)C1 1770356244 MYMLECZCSWYOEG-SFHVURJKSA-N 440.529 2.343 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2cccc(OC)c2)CC1 1771222910 NXCZIPWAKYUMKD-PXNSSMCTSA-N 441.532 2.471 30 10 IEEE Cc1ccc(Cn2c(=O)c(C(=N)NOCc3ccc(C#N)cc3)c3n(c2=O)CCC3)cc1 1848446620 RGXAPSKHEJFRDD-UHFFFAOYSA-N 429.480 2.231 30 10 IEEE N#Cc1ccc([C@H](CC(=O)NCCCN2CCOCC2)N2Cc3ccccc3C2=O)cc1 1851885090 MUIFEJBVTZJERE-QHCPKHFHSA-N 432.524 2.484 30 10 IEEE C=CCN1C[C@@H](C(=O)N=c2nc3nc(C)c(CC=Cc4ccccc4)c(C)n3[nH]2)CC1=O 1852379497 ZFZKUMFHDDGIEJ-IBGZPJMESA-N 430.512 2.392 30 10 IEEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)cc1 1852915973 IAFCLPQQSQJWKF-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE CCOC(F)(F)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1854889650 ZRSLKDBTGMHMIB-INIZCTEOSA-N 441.456 2.188 30 10 IEEE COc1ccc(SCC(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1 1854997643 CZZKRCCDBQWQEK-ROUUACIJSA-N 430.574 2.225 30 10 IEEE Cc1ccccc1OCC(=O)N1C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c2ccccc21 1857049058 FKAJESHATGNRNO-INIZCTEOSA-N 427.482 2.243 30 10 IEEE C=CCn1cc(O[C@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c(=O)cc1C(=O)O 1857889938 AXVQZKBXWKLEJX-OLZOCXBDSA-N 426.425 2.126 30 10 IEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)n1 1858764798 SUICCRKKJQVUPS-UHFFFAOYSA-N 438.440 2.137 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 1862416744 KBLNCISZHMMXIS-SFHVURJKSA-N 432.379 2.090 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCO)cc1 1862645073 ZNYMXTSQDVDFIW-SFHVURJKSA-N 429.400 2.192 30 10 IEEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871005117 PHXDACOGHMPWPF-UHFFFAOYSA-N 437.521 2.363 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2/N=C/c2ccc[nH]2)cc1 1874431253 HUYWJPBOHHNCSI-FOKLQQMPSA-N 425.518 2.418 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CO1 1908272629 STLUSNANXYWHRI-UFYCRDLUSA-N 428.533 2.153 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 1993665789 LTMAGHVXUFTOJS-OAHLLOKOSA-N 427.542 2.192 30 10 IEEE CC(C)(C)[C@@](N)(C#N)Cn1cnc(I)c1I 1995380949 SDHVLBSCPVHJRL-SNVBAGLBSA-N 444.058 2.359 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2010029965 WFYQQXAKOGBKML-JPYJTQIMSA-N 429.517 2.139 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(C#CCCO)cc1 2145922044 ZQRXHEYCVCPWOY-UHFFFAOYSA-N 426.494 2.239 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1 2174786653 LVPNKCOLHIIKMK-UXHICEINSA-N 429.498 2.062 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2224097674 MTFZKZQPGZPCAT-RDJZCZTQSA-N 433.358 2.093 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2224123258 FMIWBZHHQACYBZ-KRWDZBQOSA-N 433.358 2.241 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905447 UBKVQIPRJKFXKG-GJZGRUSLSA-N 448.366 2.441 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247908365 SIMWYDXTVMRODD-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254743072 BJQBFFZPYVVFJI-KRWDZBQOSA-N 433.358 2.311 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255665955 MKYAKOSNEAHKDL-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255803647 RHWNOLCVJNCGTB-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255811673 KDZRQUVFWNCKAY-ZIAGYGMSSA-N 449.382 2.285 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2255812388 NOXOBWDXFZJVMI-STQMWFEESA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255819301 YVAXSLAJAZQRGM-WFASDCNBSA-N 435.305 2.163 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256676507 PJLWIFZNHCABIQ-HNNXBMFYSA-N 440.321 2.096 30 10 IEEE Cc1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2256922045 BOUPWHLDDQMJRO-OAHLLOKOSA-N 446.334 2.151 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009980 PXYDKGCXKWDAAY-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267093827 YHZPSWMSRORTRD-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267124312 JLORPBOESXYHET-IBGZPJMESA-N 438.381 2.456 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267593465 LDQAZHZTYBOHCX-ROUUACIJSA-N 446.353 2.004 30 10 IEEE Cn1cc([C@@H](O)C(=O)C#Cc2cccc(Br)c2)c(I)n1 2296248721 AQOKBLNBLHIIDL-CYBMUJFWSA-N 445.054 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300305733 VTYWZFDLECADTQ-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1O 2330731429 JAVFGJWUBGLRGZ-UHFFFAOYSA-N 442.476 2.372 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1OC 20292734 BJJLMOKSCAUBCG-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE COc1ccc(CNC(=O)[C@@H](C)OC(=O)CO/N=C(/C)c2ccc3c(c2)OCO3)cc1 59474628 ZFRCBDPHPIWDKL-CPISYKEBSA-N 428.441 2.413 30 10 IEEE COC(=O)[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@H]1CCCN(C(=N)N)C1 70439309 MRNGXYMKYHNMLV-DHIUTWEWSA-N 446.551 2.282 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCCCCOC(=O)C(F)(F)F)[nH]1 253565386 HQZLEHKALHNULA-AWQFTUOYSA-N 449.459 2.034 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]([C@H]4CCOC4)C3)CC2)cc1 439277267 QJSDDWLAFGOFJL-UXHICEINSA-N 431.558 2.234 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)C[C@H](C)O1 443346946 NTYCRIHNQTXOIL-VYMRPNJYSA-N 426.517 2.321 30 10 IEEE COc1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1CC(=O)O 445555462 BVHLPBDYQJZNBY-UHFFFAOYSA-N 445.497 2.257 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 535629736 DADKCMNAUQDLAL-CQSZACIVSA-N 449.479 2.325 30 10 IEEE C=CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)c1 545604948 MWSUTSYCNFSFAB-UHFFFAOYSA-N 440.529 2.015 30 10 IEEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 558997341 NOXIZNVOHVDWOM-UHFFFAOYSA-N 449.559 2.186 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)c1 569774198 XJVPRJRZUYQKMC-AWEZNQCLSA-N 426.281 2.393 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1n[nH]c(C2CC2)c1C#N 578040822 NCPBJQOZLYJIPL-SNVBAGLBSA-N 437.319 2.970 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N(CC#N)c2ccc(N3CCN(C)CC3)cc2)c1 586249767 QADZCIBULMUHBZ-UHFFFAOYSA-N 430.530 2.174 30 10 IEEE CS(=O)(=O)O[C@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 720717753 WHZICJOGGKVTAB-DJJJIMSYSA-N 431.466 2.439 30 10 IEEE C#CCCNC(=O)C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 733674304 RSZHVDNKKZSBPA-UHFFFAOYSA-N 443.500 2.321 30 10 IEEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ncc(Cl)cc1Cl 741340776 HEEGVMXURMRRFY-OZEFSGHTSA-N 427.244 2.175 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)[C@@H](C#N)C1 754377857 BAMMMZDBMKISNH-HNNXBMFYSA-N 432.546 2.328 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 761564032 KIFKGZYBYZUMDZ-HNENSFHCSA-N 444.538 2.164 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 764739511 CQKPPSUOBUMADP-PBHICJAKSA-N 441.492 2.285 30 10 IEEE N#Cc1cccnc1N1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)CC1 766066550 CFYXEJHYIVIDHS-UHFFFAOYSA-N 426.274 2.091 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(F)cc1Br 767240868 LUAIXADKEALLIJ-SNVBAGLBSA-N 444.731 2.053 30 10 IEEE C#CCN(C(=O)N[C@@H]1CSc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 787395792 LTTBEEAHNAYYRR-TZMCWYRMSA-N 429.361 2.428 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCSC2)C1=O 794441128 OWDJNBIRHQSZMY-RDJZCZTQSA-N 431.587 2.063 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)Nc3ccc(CC#N)cc3)CC(=O)N2C(C)(C)C)cn1 796421676 VBIORTUOQAHBAR-WIYYLYMNSA-N 437.500 2.356 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 804455617 JMNDWHRLRGWKQY-FQEVSTJZSA-N 428.558 2.178 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1cnnn1C 807929027 FWWMWFBWBAKMHS-INIZCTEOSA-N 436.501 2.074 30 10 IEEE CC(C)(C)N1CC[C@](F)(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 810788537 WJGLASKYMPDZKR-MRXNPFEDSA-N 432.315 2.338 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1Br 813093798 GLXGACJEXQJEKK-GFCCVEGCSA-N 440.241 2.152 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 813736649 QMRPEAANTCFZMF-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)nc1 858040053 BTSDCZRCIUWHPP-FGZHOGPDSA-N 437.519 2.391 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCN1CCC(C(=O)OC)CC1 1144268582 ZTHUAXQZFSWLIX-UHFFFAOYSA-N 426.517 2.442 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2cncc(C#N)c2)cc1 1178373100 DEZXTDOOKIFWIZ-HXUWFJFHSA-N 426.498 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NCc3nc(C#N)cs3)ccn2)CC1 1179378164 RPEARWYMXJXLQF-UHFFFAOYSA-N 428.518 2.397 30 10 IEEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1179437829 RYMAMKCOUCHERQ-HNAYVOBHSA-N 440.422 2.363 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCn3cnc(C(F)(F)F)c3C2)CC1 1197395384 YBFBXTRSKGDWNP-AWEZNQCLSA-N 438.479 2.188 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN[C@]2(c3ccc(Br)cc3)C[C@H](O)C2)nc1 1197572753 GCXNEQOGGJOBRZ-MAEOIBBWSA-N 436.331 2.129 30 10 IEEE CC(C)C[C@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C(=O)N1CCOCC1 1230351191 NGESBVPVYDOLDD-QFIPXVFZSA-N 441.576 2.095 30 10 IEEE CNC(=O)[C@@H](CNC(=O)NCC#C[C@@H]1CCCCO1)Cc1ccc(C(F)(F)F)cc1 1230616188 KZKBTGHDBNXKAZ-AEFFLSMTSA-N 425.451 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1286293918 ALFNRHXBHIABKH-DENIHFKCSA-N 438.576 2.276 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286387560 SGGIAKZATZBUMR-QGZVFWFLSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1286393230 QBVYTDLXSLPOSP-LJQANCHMSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1286403927 OATUOPWTWWVMTQ-VQTJNVASSA-N 438.528 2.354 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCN(C(C)=O)CC1 1286436400 HBZFCPQLLSBBLW-UHFFFAOYSA-N 446.502 2.170 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1286488878 WXGCUQPTTZSSOZ-IECBHUPTSA-N 443.592 2.332 30 10 IEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286496230 BNPAFUPFZFCLTK-DYESRHJHSA-N 438.594 2.143 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286599684 ZLXQEWRDZFTEDI-XUZZJYLKSA-N 446.640 2.500 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1286786071 WRUOICXQBMLFMU-FQEVSTJZSA-N 431.544 2.353 30 10 IEEE COc1cc(N)c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1S(C)(=O)=O 1295107987 LJLZAVCDQBHIHG-AWEZNQCLSA-N 438.303 2.438 30 10 IEEE CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1295194783 ZXNSMZJQTPJEDI-XUTLUUPISA-N 436.520 2.421 30 10 IEEE CCn1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)c1=O 1295950374 HMFQKNRPCNJTCX-OAHLLOKOSA-N 439.545 2.238 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCNC(=O)OC(C)(C)C)CCOC1 1296527972 WLMGEYZHKYMGNP-KKSFZXQISA-N 436.557 2.441 30 10 IEEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1 1298080261 ZAXFUXARGGFTLG-QFIPXVFZSA-N 437.592 2.315 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCOCC1 1300809126 UASRFUBKAFFSMO-HSZRJFAPSA-N 425.508 2.249 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1300815760 BDGSAYVIEKNKEW-JOCHJYFZSA-N 445.589 2.405 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1300885473 PSODRJVWXNUWQI-VQIMIIECSA-N 439.626 2.366 30 10 IEEE C#C[C@@H](NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1)C1CCOCC1 1301132383 JJSSJYXDVGNKGC-RDTXWAMCSA-N 449.345 2.461 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1301278821 SHFHWTOSEZQYTO-UHFFFAOYSA-N 433.578 2.082 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@H]1C 1301568678 ITHGFKPZPPQXSG-HZPDHXFCSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1301593809 UUXQOBSIULVBEA-CZUORRHYSA-N 437.393 2.436 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C[C@@H]1O 1302842280 OPEMLRSPETYOAB-LPGCABEGSA-N 443.573 2.237 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCN2CCN(C)C(C)(C)C2)cs1 1304664431 OWMGQJBHOCXPHP-UHFFFAOYSA-N 442.637 2.400 30 10 IEEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)s1 1304694396 WIVCJEJRRRLTMU-MRXNPFEDSA-N 437.529 2.409 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1306484178 GLELIHZYJLBSKS-MSIWKICXSA-N 425.489 2.055 30 10 IEEE C#Cc1ccc(S(=O)(=O)N[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)cc1 1309859654 KLYYVFUYSYAUMP-SFHVURJKSA-N 436.530 2.135 30 10 IEEE C#C[C@@H](NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 1312938161 XMVVUDAZDBDJKL-VQTJNVASSA-N 449.393 2.219 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C1CCOCC1 1313042882 JRETXQYHIGDVOU-UNMCSNQZSA-N 425.577 2.054 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H](C)NS(C)(=O)=O)n1C1CC(C(C)(C)C)C1 1316099831 MKRMWGNRNXFARK-QQFBHYJXSA-N 426.587 2.252 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1ccccc1F 1316297928 RGGROPSEXHYHFT-LJCCNALRSA-N 445.495 2.337 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358959876 RHCMIUHDZOWGHM-INIZCTEOSA-N 429.477 2.056 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358965302 RVXZOVSQUZCGNY-GOSISDBHSA-N 442.566 2.311 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C)CC1 1359134990 OHAKBSLROONCQW-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359226881 OVTBCBBNZUQIFJ-LJQANCHMSA-N 432.569 2.103 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359227000 QQJXKIVUWRFDNJ-FUHWJXTLSA-N 444.532 2.446 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1359228522 GAOQVQNEOZRTPM-UHFFFAOYSA-N 429.521 2.359 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359304595 CGGVQVSXKBKXQG-FUHWJXTLSA-N 444.967 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1359330680 ZGOJEMFEHULAES-UHFFFAOYSA-N 441.561 2.058 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccc(C#N)o1 1360192574 BVBBWSIPFWMAJL-UHFFFAOYSA-N 441.536 2.012 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1360483623 ZMHMXYWRFSVDOV-MWDXBVQZSA-N 434.541 2.203 30 10 IEEE COC[C@]1(C(=O)OC)CCCCN1C(=O)COc1cccc(Br)c1C#N 1438035321 WKUILILNQVCOBD-SFHVURJKSA-N 425.279 2.270 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H]3CN3CCOCC3)C2)C1 1444985759 FVPVJAVGKJGVLL-CXVUKDAWSA-N 432.565 2.096 30 10 IEEE C=CCN(Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1461944913 XTVNYWXXCHOLLE-IAGOWNOFSA-N 439.582 2.025 30 10 IEEE CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2I)C1 1462860770 FKGFXHOCQXDCKQ-GFCCVEGCSA-N 447.298 2.163 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1)c1cc[nH]n1 1463835991 NXLDIVSSGFGTAO-UHFFFAOYSA-N 444.366 2.282 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)ccc1CS(C)(=O)=O 1465625389 AQFYANYCERROMH-QGZVFWFLSA-N 426.510 2.293 30 10 IEEE COc1ccc(C2=NO[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)cc1C 1467411855 QJAPQCOWMGRZCL-HNNXBMFYSA-N 445.472 2.363 30 10 IEEE CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1467829729 WPKHXXQFCWRVPQ-CQSZACIVSA-N 425.482 2.252 30 10 IEEE C=CCn1cc(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1 1471801078 UWPHBHZDPLAGLF-UHFFFAOYSA-N 440.548 2.447 30 10 IEEE Cc1ccc(C(=O)NCC2(O)CCC3(CC2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 1471958588 TVWDUXUYMYSRCF-UHFFFAOYSA-N 431.338 2.072 30 10 IEEE CCCN1CC[C@H](Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1500961974 SBXGCTJHNMXCOC-BWAGFHJFSA-N 434.560 2.493 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1507635608 UIXYIUDYSIZSOG-IBGZPJMESA-N 445.589 2.096 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CC1 1507720228 IIZAJIOSCCFTRX-JOCHJYFZSA-N 434.544 2.158 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2F)CC1 1507740258 ZJOBPOMZPQKYFZ-INIZCTEOSA-N 429.471 2.074 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507953925 JQASYQKZZQGNSV-FGZHOGPDSA-N 446.640 2.370 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1508012658 HTNPKGNJGSRYDA-PMACEKPBSA-N 446.596 2.369 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1508133450 JJGPUFBMAZHTGO-ZWKOTPCHSA-N 446.529 2.222 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508146591 ZLVAJDDQIONKEP-UHFFFAOYSA-N 439.626 2.162 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1517329593 ZZYRDLRQNLUFKM-UHFFFAOYSA-N 435.532 2.324 30 10 IEEE COCCCN(c1nnc(CC(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1519057665 HBXTZNDGNPNJCT-INIZCTEOSA-N 435.550 2.020 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(Cl)cc1 1519448341 HOQAASXHXZCZDK-IPELMVKDSA-N 447.923 2.463 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNc2ccccn2)CCO1 1521122553 WREZIGQVNPRXCM-SFHVURJKSA-N 434.460 2.479 30 10 IEEE C=C(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1526586334 VXBXUBTUBXNWQT-UHFFFAOYSA-N 427.954 2.036 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1C 1532434123 DXVJBNFWFAGIIL-IBGZPJMESA-N 428.452 2.440 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1539065990 OMCZYLABSJAXQY-IBGZPJMESA-N 438.507 2.021 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)Oc2ccccc2OC)CC1 1539454112 WTNSMGPPJGYUOO-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1539459361 FREWXEHKKSGRGN-NRFANRHFSA-N 434.544 2.443 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1539470191 LIINMSXTGNLNAA-UHFFFAOYSA-N 443.555 2.044 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)N[C@H](C)CC)CC1 1539480827 FINHIUOEJNLYQJ-QGZVFWFLSA-N 428.581 2.206 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1)c1ccccc1 1539767021 IADXEXUXIDQZTR-LPHOPBHVSA-N 431.562 2.171 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)NC)s1 1540822188 NDLULFJZZYEBQM-UHFFFAOYSA-N 427.935 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1540868705 ODMAJWHEQAJJOV-YLJYHZDGSA-N 435.532 2.294 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1541888521 DBRAYZOZIXFKCM-CZUORRHYSA-N 439.488 2.110 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)c1 1542173241 CRMMXJYUDFETGK-IBGZPJMESA-N 438.532 2.248 30 10 IEEE CN(Cc1nccs1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1554202479 MWFWNASIXUKSMT-ZCXUNETKSA-N 429.550 2.486 30 10 IEEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 1555820613 FEIAIPWGTWNVAH-JGVYIQDASA-N 439.463 2.495 30 10 IEEE N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)n1 1556905369 VVPOULRYUMOFBO-UHFFFAOYSA-N 435.463 2.274 30 10 IEEE COc1nc(C)cc(C)c1CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1557659919 GJERDRSOAGASCV-UHFFFAOYSA-N 430.530 2.184 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)C2)c(=O)nc1O 1558806114 DYIAWLBUHDWMNH-UHFFFAOYSA-N 443.179 2.299 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cc1 1584229756 LIKOJOQPOMYMLD-UWJYYQICSA-N 447.495 2.167 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1587561735 HUJOBDCIDFPWKG-IEBWSBKVSA-N 430.574 2.218 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1587667704 LNCXSSIZIXTHFQ-HNNXBMFYSA-N 444.561 2.206 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1587834722 DRHVHJMKUHFZKH-HZPDHXFCSA-N 432.546 2.388 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1588058819 CYYZVASCDHYASA-UXHICEINSA-N 448.564 2.450 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589546142 PDIGGEUAWWZZGX-FXAWDEMLSA-N 427.553 2.337 30 10 IEEE CC(C)c1cc([C@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 1594671041 OUJPBVLTUXBPBJ-WBVHZDCISA-N 429.546 2.478 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1595303301 PXRYFVHHOKAYLA-ZWKOTPCHSA-N 446.573 2.385 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)C1 1595790472 MMMPOCFCZWSPKO-LJQANCHMSA-N 427.526 2.323 30 10 IEEE CC1CCN(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1612874823 ZIMSQTICZFZGPK-FGZHOGPDSA-N 434.560 2.493 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1613132311 OADDCZMGVQOOOK-HUYLIWGRSA-N 441.532 2.238 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1617697361 OQWGSEUFQLEPAY-QGZVFWFLSA-N 438.454 2.162 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1619615239 YRTSNDAWHKKEEF-LJQANCHMSA-N 426.496 2.250 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2CN2CCCC2=O)ccc1Br 1622448222 CGMGLDAWNHIQQV-AWEZNQCLSA-N 426.336 2.486 30 10 IEEE C=CC1(CC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CN(C(=O)OC(C)(C)C)C1 1624157775 DEPHSQIAYUVJMN-LJQANCHMSA-N 448.608 2.345 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCn3cc(Br)ccc3=O)n[nH]2)c1C 1625209658 DSLPVUQIMLHYRL-UHFFFAOYSA-N 445.321 2.430 30 10 IEEE C=CCN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC 1625219960 CFURKFDKUZCAAW-PCCBWWKXSA-N 437.496 2.146 30 10 IEEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1occc1COc1cccc(C#N)c1 1629657150 ANNZZUUYNKBJAJ-QHCPKHFHSA-N 425.485 2.076 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@](O)(Cc4nc(CC)no4)C3)n[nH]2)c1C 1629721270 HESHMKQHQLGJJQ-QFIPXVFZSA-N 439.520 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCCN(C(=O)CSCC#N)C3)[nH]n2)CC1 1630149948 SFPJKCYMEGUPQR-MRXNPFEDSA-N 448.593 2.430 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1ccccc1Br)c1cc[nH]n1 1630373467 RIZLMDKICFESCR-GFCCVEGCSA-N 437.294 2.203 30 10 IEEE C#CC1(F)CN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)C1 1633366039 VLPLHNCXQQJSBX-AWEZNQCLSA-N 449.367 2.033 30 10 IEEE C[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[C@@H]1N1CCN(C)CC1 1636325419 GTOIAZKOOABMJO-KXBFYZLASA-N 435.366 2.184 30 10 IEEE CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1641514273 GEAQTWMHJVDGJM-IBGZPJMESA-N 431.489 2.354 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648499665 GDIJGNPWMKPUER-PJSUUKDQSA-N 432.571 2.086 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 1648825518 OAZBWGXSBOMVPE-KRWDZBQOSA-N 426.416 2.342 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1650933621 AWENDBPJPOMVSO-UHFFFAOYSA-N 429.484 2.010 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1659746861 PJITYCVAGJCKEA-WOJBJXKFSA-N 435.613 2.448 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 1667304248 CXNPYDATHLIICJ-IVMMDQJWSA-N 442.331 2.489 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@H](Oc3ccc(C#N)cn3)C1)CCS2 1676613517 BSDACVMMFPUSIP-NHUHVJRWSA-N 430.530 2.333 30 10 IEEE C#CC[C@H](COC)NC(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 1679162698 YTSLHPPGYSYEDY-GOSISDBHSA-N 431.514 2.334 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 1684082510 CPQPWWAUBGRACW-FVRICEFQSA-N 434.581 2.332 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCOC2)c1 1689871759 DRXZJAYWABLELQ-HXUWFJFHSA-N 430.512 2.357 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1689903991 GZRNYGYFALDDKL-UHFFFAOYSA-N 449.552 2.271 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)CN(C)C)CC1 1690124241 HWKYBFHHNUEDAM-OAQYLSRUSA-N 438.576 2.134 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1690251789 ZICQPCWNLXMRCQ-GHTZIAJQSA-N 443.596 2.472 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1690252533 GABWZZOAUKJRNG-SFYKDHMMSA-N 448.564 2.301 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1690572222 WXZVADYTBJKZSS-HRAATJIYSA-N 431.562 2.308 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690622421 PFDHXSWUYQNTFR-JKSUJKDBSA-N 436.557 2.123 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(C)=O)C1 1690666960 MFVFTRNSQNWZHC-MRXNPFEDSA-N 430.940 2.253 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1690669602 JSTGLUNSLKMTGE-UHFFFAOYSA-N 435.431 2.424 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1690672898 HBPXWWKNVOPMJM-UYAOXDASSA-N 425.533 2.328 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690741987 CPGJHJRRKMVJEX-HUUCEWRRSA-N 436.582 2.252 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1691085436 QJTSJKBTKLYZGN-IBGZPJMESA-N 444.605 2.456 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1Cc1nnn(C)n1 1692348715 FLAGWLUNKZVGLV-UHFFFAOYSA-N 429.479 2.485 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1692851643 COVFHZKZVQFCLG-MBSDFSHPSA-N 438.532 2.390 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1695289737 BNLCSZWQDUSVFU-RDPSFJRHSA-N 437.592 2.051 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCN2CCOCC2)CCOC1 1696068941 JLXIMZKKWGJZOT-XZOQPEGZSA-N 446.596 2.173 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)C1 1696951493 XEVZZECIDRLKOB-QGZVFWFLSA-N 428.562 2.444 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705520371 RRWQWUSGZIKYHO-UHFFFAOYSA-N 440.508 2.150 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC[S@@](=O)CC 1705585894 NLJDPVBTJHOQOK-MHZLTWQESA-N 449.374 2.461 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCN(CC)CC1 1705594144 RMZFVHMCGNGHJK-NRFANRHFSA-N 429.572 2.306 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(F)cc1 1705628656 MHQNAPVWXDRQSD-KRWDZBQOSA-N 448.564 2.383 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](C)C1 1705658198 HZNSBQNTZQQPKL-HZPDHXFCSA-N 448.618 2.218 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705732969 LAZVTVYTLWQPGM-LJQANCHMSA-N 438.576 2.327 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1705865049 QBLHIPLOLFHSKC-ZWKOTPCHSA-N 442.495 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1705898841 ZIDPNYKYROZNQX-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705900883 SJNBDOMNWNYOEA-RBUKOAKNSA-N 438.580 2.128 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705906439 DWDRJLIBMULPHO-HNNXBMFYSA-N 443.401 2.066 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1 1705906532 IEERDUYMRQNGHH-UHFFFAOYSA-N 429.912 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCOC[C@@H]1C 1705937583 YGNDKZATIIMGIL-INIZCTEOSA-N 429.546 2.176 30 10 IEEE CC(C)(C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706105173 ACUWTLYZGUARRQ-NHKNDPDJSA-N 442.564 2.355 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1722362259 ADEUMSFAGQQELL-AWEZNQCLSA-N 438.351 2.072 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722371160 UITRHBIULHTJEV-WOJBJXKFSA-N 426.542 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCS(=O)(=O)C1 1722380707 VVCPACPRCSUMQK-KRWDZBQOSA-N 435.509 2.108 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2CCCC2)n1 1722427474 JTVQJHBQHMOKPU-UHFFFAOYSA-N 439.564 2.187 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722454266 BHENKMXZYFVKKA-UHFFFAOYSA-N 427.578 2.337 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722472182 GCCNFUNTZXWCEV-WMZHIEFXSA-N 441.601 2.451 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722628724 ZJQTVCFURQWPDM-PMACEKPBSA-N 433.597 2.454 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1729570599 YIFJLSJEDGXMSQ-IGGDJGDASA-N 438.536 2.077 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCc2ccco2)c(OC)c1 1730049612 OPNAQKZPUNJSQB-OAHLLOKOSA-N 438.488 2.468 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1730274734 BKELJDMCKKAHGN-OTWHNJEPSA-N 440.548 2.182 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740593695 MTMIIFXGYNQMJM-KRWDZBQOSA-N 426.590 2.133 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1740616634 DNNYGVUUMSYDLT-IBGZPJMESA-N 446.573 2.102 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CCC[C@H]1CO 1740645768 SGUQSHGUOXXICU-XZOQPEGZSA-N 433.556 2.207 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS(=O)CC2)cc1 1740968922 QTMQQDWXHJSURL-ICSRJNTNSA-N 446.573 2.184 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1741803487 QIRGJCFPWFBHED-NVXWUHKLSA-N 445.545 2.012 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1743380849 PWNOIJMXLUKHKF-DJJJIMSYSA-N 449.353 2.326 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1745947046 CLGOJIWHCXOWOS-UHFFFAOYSA-N 446.602 2.184 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1748730662 ORAXRJUFNXDOOT-UHFFFAOYSA-N 440.523 2.368 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1748730985 XJNVMUBBFXOKQT-UHFFFAOYSA-N 443.939 2.419 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748755211 FXMWZJSTBMDZBY-KRWDZBQOSA-N 440.573 2.234 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1csc(C)n1 1748784157 DAERNNPNEHLDQG-UHFFFAOYSA-N 429.575 2.315 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)c(O)c1 1748791123 PBNDCIGDPBFQIE-UHFFFAOYSA-N 433.516 2.284 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCN(C(C)C)CC1 1748859033 ASKBSTZDAZBLGI-UHFFFAOYSA-N 439.535 2.304 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCOC2)n1 1748971382 NOXGAIOLSDPZOW-AZUAARDMSA-N 428.537 2.039 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@@H]1C 1749149018 ODYMSRCSWQFGOG-SFHVURJKSA-N 437.552 2.044 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCSC1 1749448910 FELFJGMQYCSMMR-SFHVURJKSA-N 426.550 2.455 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1749658652 SWMQPXHBBDVBAP-UHFFFAOYSA-N 448.930 2.344 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749690501 SQQNMKLDNHIICP-JENIJYKNSA-N 446.573 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1749731034 ZJCSITZEEZNAIH-LJQANCHMSA-N 441.561 2.324 30 10 IEEE CC(=O)NCCCn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@]1(OC(C)C)CCOC1 1750047399 UPUKRSVEBOFDPV-QHCPKHFHSA-N 440.548 2.353 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCCOC4)C3)n2CCOCCCO)cc1 1750384070 MKUYHAXMOAGCRE-QHCPKHFHSA-N 441.532 2.135 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760132873 VKGOVHNYLWKYEP-UHFFFAOYSA-N 441.923 2.318 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1760153617 WYTQHKCOODYPKI-MSOLQXFVSA-N 435.532 2.201 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760156945 YNWKQIOZZRIGLT-JOCHJYFZSA-N 434.588 2.220 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760195464 CKBRZEAPJUSGNG-HSZRJFAPSA-N 445.564 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)Cc2ccccc2C1 1760218682 LBYQPKQSBILOJG-NRFANRHFSA-N 436.581 2.448 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(C(C)C)C2)CC1 1760260668 BGSAWGSQOMQAPC-QFIPXVFZSA-N 438.624 2.015 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)OCC)CC1 1760261370 KQXLBWQXHGROLR-HXUWFJFHSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C/C=C/CC)CC1 1760271550 BOHUJOPYQBOBOG-FNORWQNLSA-N 431.544 2.449 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)CCC)CC1 1760551736 PYUHARABFCMRNA-UHFFFAOYSA-N 449.577 2.332 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Cl)cn2)cc1 1761836972 ANZSHVOVHRPARM-SFHVURJKSA-N 427.896 2.444 30 10 IEEE CN(C)C(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1766863981 BILJQCPXGDVRGX-FQEVSTJZSA-N 437.548 2.196 30 10 IEEE CCOCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)CCC1 1768065330 YXUCFIYCESAXJX-XMSQKQJNSA-N 433.553 2.256 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1768192143 QZQYFHZGXDRNQK-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCc2cccnc21 1769837467 NPECNYRCKRXHTJ-IBGZPJMESA-N 437.548 2.396 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NCCN3CCC4(CC3)OCCO4)cc2)c1C(F)(F)F 1851116612 OHTQXBHRIJLJAQ-UHFFFAOYSA-N 449.433 2.331 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851529957 GWPSTFQFOMBTMJ-CQSZACIVSA-N 431.436 2.214 30 10 IEEE CC(C)(C)[C@@H](C(=O)N(Cc1ccc(C#N)cc1)c1cnccn1)N1CCS(=O)(=O)CC1 1851723781 SOHIUGOEVOXLAT-HXUWFJFHSA-N 441.557 2.027 30 10 IEEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)ccn1 1853614938 QKKUAZXYSLBNFA-INIZCTEOSA-N 441.387 2.275 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CC(=O)N1CCC[C@@H](C)C1 1853831351 UPPQNOVPPUFCSO-CVEARBPZSA-N 430.936 2.337 30 10 IEEE C=C[C@@H]1CCCCN1[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1=O 1855405821 YYLBUWZZGBEVHW-YLJYHZDGSA-N 434.558 2.417 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CCc4ccccc43)C2)CC1 1857017748 CAXVKSSDAZJEDK-MOPGFXCFSA-N 429.542 2.047 30 10 IEEE C[C@@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CCN1Cc1ccc(C#N)s1 1857510076 ZICGITSNKOZJCW-CVEARBPZSA-N 428.558 2.360 30 10 IEEE C=CCn1cc(OCC(=O)NCCc2ccc(OCC)c(OCC)c2)c(=O)cc1C(=O)O 1857890469 YBBJXHDSQDCIEV-UHFFFAOYSA-N 444.484 2.268 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862738330 YZRINSLZBVJFMR-ADLMAVQZSA-N 428.397 2.268 30 10 IEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCCOC)ncnc21 1875228266 IAWURPZDOXROMF-UHFFFAOYSA-N 435.532 2.423 30 10 IEEE C=C[C@H](O)C[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883403034 RACMYMDFKMIGRS-ZMUXLLMJSA-N 429.494 2.274 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3cccn(Cc4cccc([N+](=O)[O-])c4)c3=O)C2)c1 1890867023 AQDAPBCIRWIIQZ-IBGZPJMESA-N 445.435 2.365 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)CC1 1891200011 BSPKVCQCUZAILS-UHFFFAOYSA-N 434.924 2.120 30 10 IEEE CCN[C@@](C)(C#N)Cn1c(C)nc(I)c1I 1936400014 RDTSJURCBLQUGU-JTQLQIEISA-N 444.058 2.293 30 10 IEEE C=CCC1(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1991911261 MXCGTQPPOAMUGF-OAQYLSRUSA-N 425.526 2.040 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2009961297 GYIFDADWILZCKH-ROUUACIJSA-N 432.521 2.275 30 10 IEEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661725 SDBZRMJWUYSTRC-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCCOC1 2141666731 APXBPVIVJFWFJF-JOCHJYFZSA-N 447.341 2.393 30 10 IEEE C[C@@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145995177 LIJCEBOVEXMHSZ-SPYBWZPUSA-N 433.530 2.486 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2174778860 BWGVLIQJYCHLJP-INIZCTEOSA-N 433.461 2.013 30 10 IEEE CC[C@@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243369320 BLKJFMDHVBVXPZ-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC1(C)OB(c2csc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c2Cl)OC1(C)C 2243394898 OIXRPPJYSPXJRT-UHFFFAOYSA-N 438.664 2.204 30 10 IEEE C=C(CS(=O)(=O)N(C)CC1(NC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2243417642 VPSXGKNFPXAEQP-UHFFFAOYSA-N 430.376 2.493 30 10 IEEE CCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN(C(=O)OC(C)(C)C)C1 2255695396 DMNNREXXBQXSOJ-UHFFFAOYSA-N 433.358 2.454 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255706822 OMUGZUGUBXTVEX-RYUDHWBXSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)NCCCCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256069824 QWRHFJZETCJOCX-UHFFFAOYSA-N 434.346 2.201 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256623142 BENRQWVCNAWPFJ-UHFFFAOYSA-N 438.305 2.293 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267182045 ATJCZVQTQPVEFU-UHFFFAOYSA-N 448.373 2.048 30 10 IEEE Cn1ncc(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267492425 AZFCCMDVHWMPCZ-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267516934 LHLYDYQUODUYKX-IMJJTQAJSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CCC2)C1 2267518689 GLCOQPWCUYHRIR-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268715572 QSESSKHRCWXSMU-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@@H](O)C#Cc1ccc(Br)cc1 2278792863 FUEYGHDQDXWIEG-CVEARBPZSA-N 446.363 2.490 30 10 IEEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1 2315404190 RNHVKKXFKBBYRA-OAHLLOKOSA-N 436.314 2.134 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)C=Cc1ccc(OC)c(OC)c1 2326878648 SJUSIEXMMMLYDI-UHFFFAOYSA-N 443.525 2.498 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1C 2337283938 VIAYIAOIFMPQPE-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE CN([C@](C)(C#N)Cn1cc(Br)cn1)[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)O 2377552074 JMJVPGZYKJOXHV-SJORKVTESA-N 444.330 2.228 30 10 IEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)COc2ccc(Cl)cc2)cc1 96575161 VHFUBQWFBYIJKM-UHFFFAOYSA-N 439.877 2.139 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)ccc1Cl 460910759 RJGXWFULKZVGCV-UHFFFAOYSA-N 425.919 2.230 30 10 IEEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 475767358 AMATVZPGHOZPRM-KDOFPFPSSA-N 438.406 2.002 30 10 IEEE Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1 480724398 HJBBKWYSSNRWNX-UHFFFAOYSA-N 445.516 2.367 30 10 IEEE C=CCc1cc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)cc(OC)c1OC 501867540 CLIHTJOIDUGVDH-UHFFFAOYSA-N 430.526 2.376 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H](Cn3ccccc3=O)c3ccccc3)CC2)n1 508788056 BBDCWRVACQIBGV-NRFANRHFSA-N 428.496 2.388 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 508808522 HNKYDJPTLMNTLE-SFHVURJKSA-N 441.923 2.359 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(N4CCCCC4)CCN(C)CC3)CC2)o1 526006360 SORGZDJBWRTEGK-UHFFFAOYSA-N 428.581 2.138 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 541470875 LXAYCJMOSLZZJX-UHFFFAOYSA-N 426.477 2.483 30 10 IEEE CCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549068317 SBYYEQVOCASRNZ-UHFFFAOYSA-N 440.504 2.487 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 553725136 LVEHTIHZSRLAOA-GOSISDBHSA-N 428.514 2.351 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 553841678 FRIDUKUHBFBOIR-ZDUSSCGKSA-N 426.336 2.344 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1 561319651 AAFNWAKCPJMYTP-LLVKDONJSA-N 425.308 2.194 30 10 IEEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 566592330 NFXJRMBZDVBWBV-QUCCMNQESA-N 432.933 2.052 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 573142143 HOXKCWQPSNAJAG-FQEVSTJZSA-N 449.511 2.375 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H]2COc3ccc(F)cc3C2)c(C#N)cn1CCOC 574363135 OZPAREZOOICZFW-INIZCTEOSA-N 430.436 2.447 30 10 IEEE CCCS(=O)(=O)NC1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 603629919 FDPIANQHQSQCBX-QGZVFWFLSA-N 436.578 2.124 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 611552346 WKHPYXHWOQPCPU-HXUWFJFHSA-N 448.495 2.189 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCC[C@@H]1[C@H](O)C(F)(F)F 677833696 CUOMMXVGBDCXSS-LDWIPMOCSA-N 425.276 2.360 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cn(-c2ccccc2)nn1 726810122 GCIKQQAPASUYTE-DEOSSOPVSA-N 443.463 2.476 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCN1C1CC1 732649539 KHWVPCPHBBQONH-NVXWUHKLSA-N 432.471 2.339 30 10 IEEE COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 732705690 DGRYFJCUBZYKSB-GOSISDBHSA-N 435.484 2.328 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 735069246 QGNBDYNJLSDWPB-QGZVFWFLSA-N 442.585 2.204 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)cc2)nc1 735405979 DTDUPJHTWNJSON-UHFFFAOYSA-N 448.460 2.150 30 10 IEEE Cc1cc(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(C)n1CC(F)(F)F 741340770 HDUPHFBPAZHWAK-ZCXUNETKSA-N 427.379 2.310 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 746621731 VGBUAXBMHPLGSA-LBPRGKRZSA-N 439.490 2.335 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(Br)c2)c1=O 748064939 DBDVWSMDSQYQLB-UHFFFAOYSA-N 447.354 2.191 30 10 IEEE N#C[C@@H]1CN(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCN1C1CC1 748970402 NKPHSXTZNVMROV-JOCHJYFZSA-N 425.577 2.439 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=C(C[C@@H]3CCOC3)c3ccccc3)nc2)CC1 753918579 LAHDXWSLQLDHLX-SFHVURJKSA-N 443.573 2.261 30 10 IEEE O=C(O)C#CCNC(=O)c1nonc1NC(=O)OCC1c2ccccc2-c2ccccc21 757470336 GIZWLNBWVXRCHG-UHFFFAOYSA-N 432.392 2.248 30 10 IEEE Cn1cnc(CN2C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccc(F)cc2)n1 782883813 KEZUVGDDWAMTCH-GFCCVEGCSA-N 444.414 2.155 30 10 IEEE COC[C@@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 785066128 ALXKSPMSCPHLCP-CQSZACIVSA-N 436.408 2.068 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CCCN1C(=O)OC(C)(C)C 790699098 SVHULTWEYCWDNW-LBUQITIBSA-N 431.537 2.376 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)=NO1 798945583 WEJIAAAMIDGWNI-HNNXBMFYSA-N 431.468 2.016 30 10 IEEE COc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)ccc1C#N 810866028 QNMXTWKIBPCDPG-NRFANRHFSA-N 444.850 2.443 30 10 IEEE COCc1nc(Cl)cc(NN=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)n1 814978499 IZFBARWSDYASCO-SNVBAGLBSA-N 433.321 2.240 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3cn(C(C)C)nc3C3CCOCC3)CC2)c1C#N 856681339 OWCIHCHJOIBDMY-UHFFFAOYSA-N 425.537 2.234 30 10 IEEE N#CC1(NC(=O)COC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CCCCC1 919282932 HTMIOMGIJTVPRN-GOSISDBHSA-N 429.492 2.493 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc4c(c3)OC(F)(F)O4)C2=O)cc1 1130067201 JLBBYPXCMMDBNN-HNNXBMFYSA-N 442.378 2.401 30 10 IEEE N#Cc1c(CCCNC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)nn(-c2ccccc2)c1N 1136182890 JRKBLMJKTQKKBO-PKNBQFBNSA-N 442.479 2.419 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1136427629 STXVQIIONUXZRY-BZSNNMDCSA-N 444.594 2.431 30 10 IEEE N#CC1(CC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CCOCC1 1136644304 PNDJOYGLROLMMT-UHFFFAOYSA-N 442.541 2.168 30 10 IEEE C#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1141593577 KQJXHLQSNWQLOJ-LJQANCHMSA-N 431.536 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1156254920 RVIXQGLFZSDQLO-JTSKRJEESA-N 429.521 2.382 30 10 IEEE CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 1197785572 HELBBLXOPGVCLL-HNNXBMFYSA-N 427.452 2.495 30 10 IEEE C=CCc1cc(CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)cc(OC)c1OC 1221553310 BVXZXWOJRMQJGN-UHFFFAOYSA-N 439.578 2.482 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1248375558 MNOHXIWDNCYIBM-VXKWHMMOSA-N 429.480 2.314 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ncc(Br)cn2)c1 1264635241 XSKSIOATUSDKSU-KGENOOAVSA-N 438.307 2.304 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C1CCCCC1 1286281489 HNWRMWROZPSIKW-QGZVFWFLSA-N 447.547 2.170 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286299393 DIDMJCJKYTWDOB-BBRMVZONSA-N 442.511 2.355 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1286316090 QXEDIPAYGACFGZ-KRWDZBQOSA-N 431.562 2.224 30 10 IEEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)CCNS(C)(=O)=O 1286318611 PNNXYPPZDOTBAX-UHFFFAOYSA-N 426.546 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1286404522 SDAUQGBMEUHRQV-VZCXRCSSSA-N 434.887 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1Cc1nnc2n1CCC2 1286434632 RBDFHIYMXCWKHH-UHFFFAOYSA-N 445.527 2.305 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1286467644 ZXZBUXNVRQIQJC-UHFFFAOYSA-N 445.449 2.401 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccccc2F)CC1 1286485240 GMKROZBUJIVCRQ-FPOVZHCZSA-N 427.524 2.139 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2oc(CCC)nc2C)CC1 1286492080 GHZXRYDMEOEXCW-UHFFFAOYSA-N 428.537 2.078 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286504548 NPDLMMMMMONJNJ-QZTJIDSGSA-N 429.521 2.313 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)OC)C1 1286552360 MBIXLXSZDXDHJC-RDGPPVDQSA-N 436.553 2.373 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286562054 PTUYRWSJYOSKHF-HKUYNNGSSA-N 431.562 2.335 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286633562 YCXGLDLIJOGKQN-WMZOPIPTSA-N 432.956 2.384 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cc(C)on1 1286783831 NBMWANWFULVFMC-UHFFFAOYSA-N 426.477 2.197 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286799054 OYGFFUSPSCANLM-UHFFFAOYSA-N 445.589 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)C1 1286814065 JGTNJHIYCNZDJO-SJORKVTESA-N 448.568 2.220 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1286962558 BSWJYFPLASHYBW-INIZCTEOSA-N 442.545 2.150 30 10 IEEE CC(C)COCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287843365 MXTAGQLYZSMXFI-HXUWFJFHSA-N 439.564 2.438 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1288526183 SPCJFUFVCVGDFZ-APWZRJJASA-N 435.507 2.486 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1290857669 DCYUUVCOBSQOFW-KRWDZBQOSA-N 434.470 2.064 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C(=O)OC)c3ccc(OC)c(O)c3)n[nH]2)c1C 1296652672 ZTHVVLIFZPQFDL-FQEVSTJZSA-N 439.472 2.434 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccsc1 1298025172 BJBSIBNAUXSMGO-QZTJIDSGSA-N 448.618 2.285 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1300488375 RHRGYYGVRFTXNJ-SIKLNZKXSA-N 445.589 2.154 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NC1CCCCC1 1300522745 MTECLCXCNBABHO-UHFFFAOYSA-N 433.512 2.238 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1300538969 WMZLIMZPWHUWOA-MRXNPFEDSA-N 441.513 2.014 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300762936 SALCHNMNTUHFLW-OALUTQOASA-N 446.621 2.468 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1301272056 AWCBQFKFHCOKIM-ZDUSSCGKSA-N 447.483 2.500 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1301410880 NMSNNLYXJQEVRM-IBGZPJMESA-N 442.564 2.168 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]2c2ccccc2)C1 1301538720 KLBSFILXPSMDFX-MDNKFWRPSA-N 445.589 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1301569119 PZVPMGQTLYGHEG-OAHLLOKOSA-N 441.598 2.317 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CCCOC(F)F)cc1 1302988852 BKRKRZBEKLEMNV-QGZVFWFLSA-N 445.474 2.486 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)cc1 1302994004 IDCSWNALVGITQQ-JOCHJYFZSA-N 449.446 2.194 30 10 IEEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1303554373 FTDBTMRZPQTADM-UHFFFAOYSA-N 437.548 2.137 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)cc1 1304440136 FRJRDHGLONQMFB-LJQANCHMSA-N 442.589 2.330 30 10 IEEE C=CCn1c(SC2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1COc2ccccc2O1 1307264764 ZTILYWJWBCZRCW-QGZVFWFLSA-N 436.559 2.493 30 10 IEEE CCOCc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1314342445 DWLKQEREHAAMTA-UHFFFAOYSA-N 440.426 2.222 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1315534492 KALBERPREUQEPW-GOTSBHOMSA-N 438.532 2.474 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315827858 SRWCUFHADDRGRB-JCHJZTRSSA-N 434.560 2.358 30 10 IEEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1cnn(C)n1 1340632935 XHMUDNMSONPXRJ-UHFFFAOYSA-O 445.912 2.277 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@@H]1CCOC1 1340952352 QYEWWARMGDRHIN-KRWDZBQOSA-N 434.561 2.307 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)c2ccccc2O1 1352442126 FGFHSOIALIZFDY-QGZVFWFLSA-N 430.258 2.240 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1358916331 IJJSBUXMWLKJCT-HXUWFJFHSA-N 429.496 2.141 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CCCCC1 1358974190 UYVGESXJWQDWMP-DEOSSOPVSA-N 444.543 2.325 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCC(F)(F)F 1359021063 AEFXEZXGZUGNOQ-UHFFFAOYSA-N 446.433 2.258 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1359021425 OGFQZROJHBYUHW-QFIPXVFZSA-N 436.560 2.260 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccco2)CC1 1359042033 PCLQNJZHRGLVQP-UHFFFAOYSA-N 434.456 2.460 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1359048562 VHAIUVMIECLRFW-UHFFFAOYSA-N 448.556 2.013 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359294706 BUHOCWRDLMZJQO-UHFFFAOYSA-N 446.515 2.369 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1359333295 TTWPSCHGFIBPEK-UHFFFAOYSA-N 433.578 2.110 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1359345515 IQEUCEIKRWLWIH-UHFFFAOYSA-N 431.610 2.364 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 1436235156 RDZWBYIUCJDCEA-UHFFFAOYSA-N 443.319 2.080 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1 1442641871 YYIAQEIHUHSFFS-HNNXBMFYSA-N 431.942 2.117 30 10 IEEE Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C3)cc1 1458162258 DCPCELQRJCXJHP-UHFFFAOYSA-N 430.468 2.460 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)nn1 1463941620 ZEJRSRVIHMEQIK-UHFFFAOYSA-N 431.562 2.235 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)cc1 1465546501 RWFGGEFQXMGCJG-UHFFFAOYSA-N 449.555 2.231 30 10 IEEE CCOC(=O)C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(F)(F)F 1467015068 FRMQBSRMEWPLCC-CYBMUJFWSA-N 429.399 2.139 30 10 IEEE C#CCN(C(=O)NC1CCN(C(=O)C2CC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1467951210 XYXLYCKVSCSXDC-UHFFFAOYSA-N 432.565 2.432 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 1469533644 DCAOFQAAYMXREL-RBBKRZOGSA-N 438.553 2.449 30 10 IEEE C=CCN1CC[C@H](n2cnc(I)c2I)C1=O 1473057184 WOFOOBZVRFXBBR-ZETCQYMHSA-N 443.026 2.052 30 10 IEEE C[C@H]1CN(c2ccc(Cn3c(-c4cnn(C)c4)nnc3N(C)[C@H](C)CC#N)cn2)CCO1 1494126636 CCADMHXQPRZDKP-SJORKVTESA-N 435.536 2.085 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1c[nH]nc1C 1499328120 CFUKCFMQQZOGQT-FQEVSTJZSA-N 448.531 2.108 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CSCCS1 1503110256 ZEFLBVRRWJEIKJ-QGZVFWFLSA-N 445.618 2.256 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1504835830 FNHSJKPUPBKQON-LJQANCHMSA-N 438.532 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(=O)(=O)CC 1507534920 VSRODDDTZKSIJP-INIZCTEOSA-N 442.545 2.387 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631185 BTTNYKIABJRVJZ-ROUUACIJSA-N 446.598 2.201 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(NC(C)=O)nc1 1507644892 PKJUIRBXEAEISY-UHFFFAOYSA-N 429.440 2.328 30 10 IEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507749316 XZOCTRARIJYEPM-KRWDZBQOSA-N 441.582 2.483 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507797801 MOVNVELZEUNLQT-AABGKKOBSA-N 425.533 2.499 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1507801911 YXQLJUNNHKCYOI-XLIONFOSSA-N 425.537 2.163 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507903253 KEVKAPSMJXPLJY-GOSISDBHSA-N 431.562 2.141 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1508077123 XNAUSUKMJIMTEJ-LVCYWYKZSA-N 442.612 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1508143437 KZMPVNAMXRJXSJ-IAGOWNOFSA-N 438.623 2.071 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508161880 NVNCLUSOMHYFEY-MRXNPFEDSA-N 446.577 2.396 30 10 IEEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1514741100 HFFZCEPGMZYNDU-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1519380345 FXAIVPQDBOZKTB-WMZHIEFXSA-N 441.532 2.112 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)COc2cccc(Br)c2C#N)CC1 1533752810 FOIQTWUVNJDWPN-UHFFFAOYSA-N 444.351 2.066 30 10 IEEE C#CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C(C)(C)C 1535372393 WKTRMBBVNNYRKX-UHFFFAOYSA-N 433.530 2.029 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2CCOCC2)c1 1539039380 AWUAWTSOBKVSLW-UHFFFAOYSA-N 431.500 2.218 30 10 IEEE C#CCCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539087742 YRCSOHRTZRPRPI-QHCPKHFHSA-N 439.564 2.239 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539124896 ULPQAVBPYVUADB-UHFFFAOYSA-N 433.553 2.330 30 10 IEEE C#CCCCn1c(N(C)CC(=O)NC(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539140652 PZIRQFBZZHFMDI-CALCHBBNSA-N 432.569 2.423 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539211974 QLVPALHFZPFOLG-QGZVFWFLSA-N 447.992 2.321 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1539220971 MTDQDCRHSIBVDR-BZSNNMDCSA-N 438.619 2.432 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(F)cc(F)c(F)c1F 1539421401 RFGGATCUZIGBPY-UHFFFAOYSA-N 439.413 2.091 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539617447 WMOVGVJVAVGXOL-AABGKKOBSA-N 446.596 2.347 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1539729888 MFNZZDXILFUHFM-IRXDYDNUSA-N 425.599 2.498 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1540127382 RKSPHUSDVWOSEE-RPWUZVMVSA-N 441.576 2.189 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)C1 1540894700 CXWMVBKFVINXMO-FQEVSTJZSA-N 432.528 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1540903873 JHVAZPWNTOZQML-INIZCTEOSA-N 441.598 2.182 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(C)C)C1 1541710951 FPJMYRJQEIBMFZ-LJQANCHMSA-N 446.577 2.006 30 10 IEEE CN(C)C(=O)COc1cccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1543166756 QYAILXQSBGGVSV-UHFFFAOYSA-N 443.544 2.420 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1545494651 GMTOYTDBROHODF-YSRXLGAZSA-N 438.536 2.393 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nnc(C)s1 1555055131 BUDQVALSLJNROQ-HNNXBMFYSA-N 425.518 2.475 30 10 IEEE O=C1[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)CCCN1O 1556782330 DFVFRFKRJMUZBJ-CQSZACIVSA-N 445.335 2.032 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](OC)C[C@]1(C)CO 1557919787 XUNYDDCYHYIWHH-FZKQIMNGSA-N 427.295 2.097 30 10 IEEE CCOCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 1557936914 WISVNMYCYQKQLF-OAQYLSRUSA-N 427.526 2.389 30 10 IEEE CSc1ccc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1C#N 1559032337 QIOJFZMLRPVWRF-GOSISDBHSA-N 440.525 2.457 30 10 IEEE CC(C)(C)CN(CCC#N)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1559553749 LPVZKVRHNLOIEC-SFQUDFHCSA-N 429.546 2.496 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1564799087 WXQIUFYEQCESST-VWLOTQADSA-N 433.508 2.412 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1564957813 CONUTRFJJDDRAP-OALUTQOASA-N 444.557 2.150 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1Cc2ccc(C#N)cc2C1 1570758460 QVBLCGQMPLQUJQ-LJQANCHMSA-N 445.928 2.287 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCn4nc(C(F)(F)F)cc4C3)C2=O)cc1 1585696798 NCOMNSVKXFGEMN-HNNXBMFYSA-N 446.389 2.021 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1587527421 WCPUZYQYDZVART-AZUAARDMSA-N 437.393 2.157 30 10 IEEE Cc1ccc(C#N)cc1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1587743296 JYRFWDYDURDKJP-UHFFFAOYSA-N 441.532 2.297 30 10 IEEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587822750 CHEMLJCCJVRPOP-UHFFFAOYSA-N 448.527 2.278 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588065157 VMTNGBRDLVOESQ-SBHAEUEKSA-N 447.649 2.225 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)c1ccccc1 1588646018 FWAQSTDQKNBGSJ-UYAOXDASSA-N 430.574 2.460 30 10 IEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1589037377 YLZZBARDHDLMJO-UHFFFAOYSA-N 427.555 2.095 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1595729732 OIEVTMQVYMEXHA-LJQANCHMSA-N 436.491 2.332 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 1595790857 SBEJEFZULHSTAG-FQEVSTJZSA-N 443.594 2.323 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1Cn1cccn1 1596840334 DMOOBTOVSNLUGJ-GOSISDBHSA-N 432.532 2.289 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1615100269 HQBOASBYSAEBAH-SJORKVTESA-N 447.584 2.467 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N(C)C2CCCCC2)CCOC1 1616140206 GJNITPYEFIEQQW-HTAPYJJXSA-N 432.569 2.317 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1618070990 IFQRFPHUPQOUCO-ZRGWGRIASA-N 447.557 2.427 30 10 IEEE CS[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1620194094 BWKWRWDSKUAZCH-HZPDHXFCSA-N 437.577 2.412 30 10 IEEE Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1624532299 CWVKYWTXPDVEFJ-JTHBVZDNSA-N 432.524 2.237 30 10 IEEE Cc1cc(NC(=O)CN2CCN(C(=O)c3cccc(C#N)c3Br)CC2)no1 1624745562 OJPXHSVPBXLCKJ-UHFFFAOYSA-N 432.278 2.014 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 1626272895 CGRCUGPXVWLJNJ-UHFFFAOYSA-N 440.308 2.273 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 1627014766 DJJVIEQAAGYCDJ-GHTZIAJQSA-N 432.362 2.010 30 10 IEEE COC(=O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@H](OC)C1 1628303630 IAPVWWGYHRMEQS-WSTZPKSXSA-N 436.549 2.500 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1631745669 XGTWXIAOEMIJMZ-HLLBOEOZSA-N 428.537 2.325 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1 1636270229 AOTYOWFFZZFICV-MRXNPFEDSA-N 430.468 2.384 30 10 IEEE COc1ccc(CNC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 1636728177 CDUUSZQKALGHMO-PMERELPUSA-N 435.546 2.331 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 1638637908 HDBUGHMYGXMKGY-MJXNMMHHSA-N 433.917 2.213 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1Cc2cccnc2NC1=O 1643857143 NCSWPDDTTXTSQM-OALUTQOASA-N 447.495 2.467 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)s1 1644219173 HYNTXWLACPTKSU-UHFFFAOYSA-N 428.557 2.106 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)CCOC1 1645842022 QYCGEJSKSQWXHO-XMMPIXPASA-N 436.512 2.056 30 10 IEEE CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1652328612 MOTRZWLLVHOFJQ-GOSISDBHSA-N 427.530 2.357 30 10 IEEE Cn1ccnc1[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1 1663811605 FURZLWPWVOWNRT-WFASDCNBSA-N 425.308 2.253 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCn3ncc(Br)c3C2)cc1Br 1664471661 HBXMTGVHGAFLIG-UHFFFAOYSA-N 446.124 2.484 30 10 IEEE C#C[C@H](NC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)C1CCOCC1 1670679414 UILCWHOZVCRMOV-KRWDZBQOSA-N 425.533 2.417 30 10 IEEE C#CCN(C(=O)NCCc1cc(Cl)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1675557094 AYFJGDADBWYPBA-OAHLLOKOSA-N 433.755 2.477 30 10 IEEE CCCNC(=O)Cc1csc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1680050476 FDJXNCJZCBEADF-QGZVFWFLSA-N 440.529 2.401 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1689916421 JKEPISAQXQBYMM-QHCPKHFHSA-N 442.516 2.380 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C 1689977823 DODKTIOUHPZOLM-IYBDPMFKSA-N 432.569 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1cnn(-c2ccccc2)c1 1690029946 LMSGFFIMQGTOGQ-UHFFFAOYSA-N 441.539 2.405 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1690033265 UJGDCZKLRNPDHW-MRXNPFEDSA-N 449.964 2.084 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCOc2ccccc21 1690105958 GCIDFOBRYVNLBA-LJQANCHMSA-N 437.544 2.443 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCN2CC)CC1 1690117513 KAQJSENXVOYNSI-FQEVSTJZSA-N 438.576 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCNC(=O)C1CCC1 1690244107 TVGPKKNAHRGWEO-ICSRJNTNSA-N 441.580 2.402 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)C1 1690697207 QLVFHUYADBANJW-BMFZPTHFSA-N 432.550 2.223 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CC 1695765187 HUBRNWNTDYEGGS-LJQANCHMSA-N 430.578 2.172 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C#N)CC2)c1 1696935125 UBJBRPQGENHODG-MRXNPFEDSA-N 426.521 2.150 30 10 IEEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCCC1 1697224534 FUPGCGBJHXTZPR-MRXNPFEDSA-N 446.577 2.356 30 10 IEEE N#Cc1ccc(C[C@@H]2CCCN(c3nnc(-c4cnccn4)n3CCOCCCO)C2)cc1 1698487892 DVBUPUSYKKVSCD-NRFANRHFSA-N 447.543 2.465 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705526096 FADUPAGRSOMDLA-GOSISDBHSA-N 436.560 2.156 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)NC 1705541835 SPBAFFYOPOXEPS-HNNXBMFYSA-N 439.969 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(C)COCCO1 1705595188 JPJPRDHVGVRTGK-DEOSSOPVSA-N 430.512 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCC 1705596230 XOZDFHHHPCPUGU-XMMPIXPASA-N 432.528 2.206 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCS1(=O)=O 1705609399 BXLRVIOPXLXKPC-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CCOC)CCC2)CC1 1705634833 KCGPZJGXJNBFCV-XMMPIXPASA-N 445.608 2.281 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705663275 BXUJPPXPQVCLDQ-HXUWFJFHSA-N 442.610 2.056 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705675948 GWWXBJREFMHWTN-XMSQKQJNSA-N 427.574 2.417 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705794562 MKRVOFLWZOREAY-INIZCTEOSA-N 429.525 2.272 30 10 IEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1705830726 WKGQQYIYKDYDHO-KRWDZBQOSA-N 437.541 2.016 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1705861390 DRKCJYKNRVJGSK-MOPGFXCFSA-N 443.573 2.389 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCC[C@H](C)C2)cs1 1707761183 JJYKVCBPJJLXQJ-FRQCXROJSA-N 429.594 2.483 30 10 IEEE CCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1710575005 DSEXUZVPYRHYLL-SFHVURJKSA-N 444.561 2.152 30 10 IEEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1711192945 XRCJPXNCABSQCS-LJQANCHMSA-N 431.562 2.383 30 10 IEEE CS(=O)(=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1712685352 CYAYLPIOFQORCE-GOSISDBHSA-N 439.463 2.166 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(Cn4cccn4)CC3)n2CCOCCCO)c1 1712877575 PKSVUKLICHHGSK-UHFFFAOYSA-N 435.532 2.329 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722290983 HQRQKSINBGUNBE-ULQDDVLXSA-N 430.553 2.334 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](OCC)C1CCCC1 1722384914 ZONWAQRNAVILRO-VQTJNVASSA-N 432.590 2.238 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)C1CC1 1722419773 CNIBPTZTUHTICU-UHFFFAOYSA-N 446.349 2.320 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(SC)CC1 1722429403 QFEOJEMJWMECOK-UHFFFAOYSA-N 441.605 2.434 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722591425 MZFGRZUOKNXOOT-QZTJIDSGSA-N 439.626 2.492 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H]1C 1722693908 FAGJUMQWCGYMNV-LLVKDONJSA-N 426.340 2.296 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)coc2C)CCO1 1722843117 NQZBOBCNOZIHKA-HXUWFJFHSA-N 434.500 2.416 30 10 IEEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722852984 CCRNFEDHYLUIRQ-UHFFFAOYSA-N 436.495 2.137 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1C 1724437576 FNDIXEVBVCLOKB-NRFANRHFSA-N 448.527 2.258 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1726841815 QATZDBFMKSCEFA-KDOFPFPSSA-N 441.536 2.012 30 10 IEEE Cn1cnc(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1729590570 APWIFDKDCUBKMI-UHFFFAOYSA-N 433.564 2.237 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1730481465 PRILTAUSJDPDIM-QWRGUYRKSA-N 430.303 2.482 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740624255 HDSUPRZQCMSAAQ-HKUYNNGSSA-N 447.630 2.041 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625113 DAAMHAXCISJVFI-WOJBJXKFSA-N 435.638 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1CCOCC1 1740680643 JYWMCCGTWUGUAH-UHFFFAOYSA-N 446.573 2.251 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCn2cncn2)CC1 1740690725 LZLJRRDRUDLMBB-HXUWFJFHSA-N 434.548 2.082 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2ccnn2)CC1 1740691458 DWGGJAWVZPHSFZ-UHFFFAOYSA-N 428.903 2.175 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)c1ccccc1 1740796789 FLPIVNNSWQEQQH-LAUBAEHRSA-N 431.562 2.219 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1740851416 VUGMERGZBWTVTF-HOTGVXAUSA-N 443.639 2.155 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCS(C)(=O)=O 1740916470 OCYRSTWNHCNCPL-UHFFFAOYSA-N 436.541 2.373 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1740917293 NJYWDHQMISANLY-XMMPIXPASA-N 447.543 2.185 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740981621 WNYAYSCXWBDCBC-JLUOLNIDSA-N 426.521 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1740990505 BNTZICQOFISUCV-CRAIPNDOSA-N 447.561 2.036 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1C(C)(C)C 1740993555 FHQDTNFJDRJOHF-UHFFFAOYSA-N 425.599 2.060 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)C1 1741571487 FJJLHGRMUXLWGZ-DENIHFKCSA-N 426.569 2.165 30 10 IEEE CC1(C)CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1742005941 QPAIWYBQSCKJEU-HTXNQAPBSA-N 428.537 2.466 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1C 1742249363 BPHMOHAVHVTCDX-PGRDOPGGSA-N 442.495 2.395 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1746068456 HLTRCYVPFLBAHX-AZUAARDMSA-N 438.580 2.106 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1746523793 ATXHNLOBTPDSFD-UYAOXDASSA-N 437.548 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC(C)C)CC1 1748640434 VBZIWJMWBXHHQW-ROUUACIJSA-N 438.642 2.104 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1748888573 YCPLCENUQJNTFG-ROUUACIJSA-N 442.564 2.195 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1748922756 KTVWRDIYBQDMBO-QGZVFWFLSA-N 449.559 2.439 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCN1CCOC[C@H]1C 1748956088 IFUWSAXLIUNYSJ-LJQANCHMSA-N 434.544 2.300 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1749003464 KSRLJMSFIWOCKR-GOSISDBHSA-N 444.580 2.199 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1749053861 MWRMKIMCMXSBCS-TVTNDZMWSA-N 442.589 2.396 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1749489293 UAOYEYCPAONOSG-MJGOQNOKSA-N 449.577 2.009 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749672215 SVXJDDAIBPFKLR-CJNGLKHVSA-N 441.429 2.466 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1751277825 OVXHGYZZXFPYPN-VFNWGFHPSA-N 431.541 2.274 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(C)C 1760097377 DIQBAWLXJYCCRR-IRXDYDNUSA-N 433.578 2.429 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760185468 XQCPCPLNACIWRJ-LEWJYISDSA-N 441.601 2.446 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1760202585 HVZWCNFQMXUSBE-UXHICEINSA-N 439.585 2.380 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1760253696 UXPMQYMJSJYLGZ-YSTOQKLRSA-N 434.581 2.334 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncc(CC)s2)CC1 1760257342 UNKDBEAYWIXCAK-JOCHJYFZSA-N 444.605 2.141 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(C(C)=O)CC2)CC1 1760262683 WPDOIKKSZNQNTA-UHFFFAOYSA-N 434.588 2.191 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOCC1 1760335659 PIRNIRNDDFUBRS-TZIWHRDSSA-N 426.565 2.398 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@H](O)C1 1760468987 PSFKZEALNSYUEE-FKBYEOEOSA-N 441.576 2.239 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760517614 RXJKNQIAOBYIIO-SFHVURJKSA-N 449.471 2.208 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)C1 1760537262 MKWKKWSSTSHGLR-AVRDEDQJSA-N 430.553 2.110 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1763949337 HXWBPMDDUBRIHC-FFZOFVMBSA-N 439.539 2.384 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1 1765552081 CGSJKNILEDYTRG-KNQAVFIVSA-N 437.592 2.315 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1769141201 HELQBRLDENWYRL-IFXJQAMLSA-N 436.472 2.122 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)CNC(=O)C4)n2CC(F)(F)F)cc1 1771534555 GRCHCNAVSKLNPV-UHFFFAOYSA-N 434.422 2.398 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)ON2C(=O)c3ccccc3C2=O)sc2c1CCCC2 1772790903 VAXNWLBUSONRAI-UHFFFAOYSA-N 442.449 2.497 30 10 IEEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCC(c4ncccc4C#N)CC3)cnc21 1849044854 GHTFLKDHIPGVLL-UHFFFAOYSA-N 433.516 2.411 30 10 IEEE CC(C)(C)[C@@H](C(=O)Nc1ccc(Br)cc1C#N)N1CCS(=O)(=O)CC1 1851571772 QALLAFLQSAHSBH-OAHLLOKOSA-N 428.352 2.404 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2=O)CC1 1853735404 SCCRLRVXHMDAMN-APWZRJJASA-N 428.920 2.446 30 10 IEEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)CC1=O 1854317973 SDRKKFIGFKYULY-INIZCTEOSA-N 439.965 2.048 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)[C@@H](C)C2=O)cc1C#N 1854625260 PDNKAKRSMUKRDB-ZDUSSCGKSA-N 433.436 2.207 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc1 1862632387 ZZDVDWLGMSGYSG-BUXKBTBVSA-N 439.420 2.161 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4[nH]ncc4c3)CC2=O)cc1 1870159351 MBMGJLIPQSLHNA-AWEZNQCLSA-N 442.439 2.015 30 10 IEEE C=CCOc1cn(CCCN(CC)CC)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870385847 OVTGQNTYNQFGGG-UHFFFAOYSA-N 434.581 2.419 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(O)c2)c1 1874309109 GALFPUVSWIGGKT-FSJBWODESA-N 441.513 2.246 30 10 IEEE C[C@H](C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1)N(c1ccccc1)S(C)(=O)=O 1892167394 QTCIHTCAWSKZBA-IEBWSBKVSA-N 442.541 2.425 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2039816342 NNPAZSZZNXZSCZ-INIZCTEOSA-N 435.374 2.220 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C=O)O1 2049382616 RMBAHNFRPVNIHT-ZGYDNOGKSA-N 432.488 2.481 30 10 IEEE C=CCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2053515864 NIJNVBDCJXZAMS-UHFFFAOYSA-N 441.582 2.142 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124538118 GJWUPBLOLLLLQI-ROUUACIJSA-N 446.353 2.284 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2174785011 UIKJCALOKDMNAU-ZHALLVOQSA-N 426.498 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2222525375 IPJRYXIKJJLFET-QFIPXVFZSA-N 436.358 2.430 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1Br)C(=O)O 2237403327 TZVKZCJKDPBTBW-HUUCEWRRSA-N 439.306 2.478 30 10 IEEE C[C@@H](CN(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243388711 CUFOUYTYZQCGTL-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C#CCC[C@@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(=O)O 2248456222 OFSGFDFUDWPYDQ-GOSISDBHSA-N 430.501 2.423 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255628632 KKUVVGAHGKUFMQ-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255636913 BEUCHDNFVIHDIP-SHTZXODSSA-N 431.342 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255841835 IWSQQDPKJKMWBV-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2264254708 JDKYSQQLAMTNEF-AOMKIAJQSA-N 434.342 2.154 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@]4(C)C3)[nH]n2)OC1(C)C 2267135543 DNUVLYMJGAMFQI-MHECFPHRSA-N 436.365 2.303 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2267142822 ZMJWBJYLWYDNQU-UHFFFAOYSA-N 446.307 2.302 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CCOC[C@H]3OCc3ccccc3)nc2)OC1(C)C 2267222069 VYDZXHLUWRPQAW-PZJWPPBQSA-N 438.333 2.485 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267272795 DEEMFYCGNMBLRU-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NC3(CN)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2267291216 MWKGWJCGPMQIMB-UHFFFAOYSA-N 438.381 2.037 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2nccn2Cc2ccccc2)n1 2267529560 MSVULKLVGRQCHU-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267609701 UUUPOCLQLQLFRD-DOTOQJQBSA-N 443.353 2.462 30 10 IEEE C=CCCC1(C(=O)O)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2281052759 GYKGLWNORHNWTE-UHFFFAOYSA-N 434.514 2.136 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300341458 ZIVWVDAFJSTTSX-OCCSQVGLSA-N 437.371 2.475 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)n1 2315400373 VRTKGYCJSIRPMC-DLBZAZTESA-N 433.358 2.154 30 10 IEEE CN(C)CCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315532692 IFOCVDRERUECKA-UHFFFAOYSA-N 426.370 2.313 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCCNC(=O)OC(C)(C)C 2315613301 IWPCFLDXXIWIMW-UHFFFAOYSA-N 436.362 2.144 30 10 IEEE C#CCO[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364184943 SNWMYEGTWVZSPD-GOSISDBHSA-N 432.542 2.287 30 10 IEEE COc1ccc(CCNC(=O)CSc2nc3c(cc2C#N)CN(C)CC3)cc1OC 1471660 RPRWMCWUKGNYFK-UHFFFAOYSA-N 426.542 2.409 30 10 IEEE CCOCCCn1/c(=N\C(=O)c2cccnc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 102920163 ZKLVVCCTCLUYDA-HFTWOUSFSA-N 442.479 2.392 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1 103122438 WTNSIKILKBJQKG-LAFOYAEKSA-N 442.424 2.034 30 10 IEEE C[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc3c(c2)OCCCO3)C1 203591651 LRJUTFFDMDWRJV-QIIPPGSGSA-N 435.484 2.391 30 10 IEEE CC(=O)N[C@@H](CS)C(=O)Nc1cc(Br)ccc1I 385440978 STTGOXUVRIJOJF-JTQLQIEISA-N 443.104 2.427 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ncc(Br)cn2)c1 431635409 KONOXMCTUSMCCB-LLVKDONJSA-N 425.308 2.194 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 437560296 QIXKBRKZTDXXSX-KRWDZBQOSA-N 426.542 2.261 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1ccccc1 460808454 JAIXTQWBQFTNRA-IBGZPJMESA-N 433.578 2.256 30 10 IEEE N#Cc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)on2)c1 468246432 XWRREJLJZWJXDF-UHFFFAOYSA-N 447.476 2.232 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CCC1 477546454 RNFNBIMOHPRUCZ-UHFFFAOYSA-N 444.479 2.285 30 10 IEEE C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 486503305 BELROQGBYPFCMY-OXQOHEQNSA-N 429.484 2.300 30 10 IEEE CCOCCOc1ccc(Br)cc1S(=O)(=O)Nc1nn(C)cc1C#N 502397261 FATJEYBKWOYALY-UHFFFAOYSA-N 429.296 2.270 30 10 IEEE N#Cc1ccc(C2=CCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 503897704 OXNGIFXHWGISOP-UHFFFAOYSA-N 440.481 2.451 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C(C)C)c1=O 530317909 LPIXPRAOWMEBTR-UHFFFAOYSA-N 430.599 2.313 30 10 IEEE COc1cc(OC)c(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 544837928 GQSNOBLZLHHLNL-UHFFFAOYSA-N 425.489 2.053 30 10 IEEE CC(C)[C@@H](NC(=O)CN1CCN(c2cccc(C#N)n2)CC1)c1ccc2c(c1)OCCO2 546919679 LVKOOFCZENDQGD-XMMPIXPASA-N 435.528 2.360 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 566515921 VADOVJTVIRETQS-QGZVFWFLSA-N 439.969 2.477 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 568448971 KJMJOOOOHFHOPG-GOSISDBHSA-N 430.578 2.054 30 10 IEEE C/C(=N\Nc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C)c1ccc(O)cc1 606631201 XDJAOBLQBBURIZ-MFKUBSTISA-N 432.484 2.332 30 10 IEEE COC(=O)C(C)(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 610825143 ZTRCCBNLEUHRIT-KXBFYZLASA-N 443.525 2.282 30 10 IEEE COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OCc1ccncc1 732417432 FADCTTUHANSIRY-MRCUWXFGSA-N 437.456 2.317 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2sccc2S(=O)(=O)N(C)C)CC1 745000367 DMUIKTPSSRDFFL-BIWSTMPVSA-N 441.575 2.475 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cnc2c(cnn2C)c1OC 752372651 OJZCWZYLIZRLTC-AWEZNQCLSA-N 437.456 2.478 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)OCC)s2)cc1 757006486 JEMJTEKHEYGVHK-ZDUSSCGKSA-N 435.527 2.031 30 10 IEEE C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 773473844 FKSBYXPLIHBWPB-GOSISDBHSA-N 441.509 2.070 30 10 IEEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2F)CC1 777295911 VRKDPBIZKAUEPV-UHFFFAOYSA-N 430.505 2.099 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 777349305 COVLBRCGLYODRU-UHFFFAOYSA-N 439.449 2.209 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)cc1 780922464 RKLJUBPMJLDSHA-NQIIRXRSSA-N 427.526 2.117 30 10 IEEE CC(C)=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 790714305 SMBXLOCUFQCDPD-GOSISDBHSA-N 432.546 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)cc2CC1 793197075 ZYUPUVVBQWSYQE-UHFFFAOYSA-N 433.530 2.386 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)c2cc(C#N)ccn2)C(F)(F)F)CC1 807486765 WGRSZVZGHQMMTD-OAHLLOKOSA-N 427.427 2.167 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c(Cl)cc1Cl 813901040 FXQNSQUINFADIO-UHFFFAOYSA-N 430.269 2.499 30 10 IEEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 816690432 RELJLVRNLQUPAY-HNNXBMFYSA-N 443.403 2.226 30 10 IEEE C#CCN1C(=O)C[C@@H](N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)C1=O 821772115 YAWIZDFFSFXSFQ-QGZVFWFLSA-N 439.409 2.055 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn(C)c2)c1=O 838648390 IMZAUFOWGSLTLZ-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(-c3ccccc3C#N)c2=O)cn1 918729778 JGVCPBWWLAXONR-UHFFFAOYSA-N 431.521 2.013 30 10 IEEE CN(c1ccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 1125862724 LKQNHJGETFESOR-KRWDZBQOSA-N 438.550 2.286 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1131129049 TXLCMENXSQBKBG-UHFFFAOYSA-N 447.423 2.315 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1135762156 BPBOLXVZGXATBG-VQTJNVASSA-N 429.565 2.240 30 10 IEEE C#CC[C@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)OC 1141995640 VTDYRPOZNWDSKY-INIZCTEOSA-N 440.477 2.441 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 1150366185 GEOOPMBVULBJAP-ACRUOGEOSA-N 429.561 2.292 30 10 IEEE O=C(CSc1n[nH]c(O)n1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157806919 GRJREUNNVSBZFL-SYDPRGILSA-N 426.289 2.232 30 10 IEEE N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 1175930516 AGAGCEPIKQIKLK-OAQYLSRUSA-N 438.528 2.257 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1cnc(I)c(O)c1)C2 1179875368 SGSGGHXLZCMZMJ-UHFFFAOYSA-N 426.239 2.106 30 10 IEEE C#CC[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1191731127 UUSMNHHAVPRXDX-GFCCVEGCSA-N 426.336 2.064 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(S(C)(=O)=O)cc1 1286271331 RYUJVQHONUHATH-HNNXBMFYSA-N 431.562 2.106 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCCO2)c1 1286310854 GWCSBGDWGUCFTN-OAQYLSRUSA-N 430.512 2.499 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1286336768 XHIGQLDUQFUWQE-LJQANCHMSA-N 440.592 2.402 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CCC1 1286379664 ADUACFVGSHJIEC-OXVFITQMSA-N 435.594 2.419 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1286451090 RHFNCYPYFGBSNG-UHFFFAOYSA-N 426.912 2.415 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286496825 WEAGWEHFIOKBSJ-AZUAARDMSA-N 432.638 2.147 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286634827 CXTZAJZZCZRTEB-SOUVJXGZSA-N 438.960 2.468 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1286646942 YEYMGFWHJUJKHR-SLQAJWMNSA-N 448.614 2.263 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1286728480 AOSKHTBVYMZKQT-UHFFFAOYSA-N 443.596 2.032 30 10 IEEE CC(C)C[C@]1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCNC1=O 1290813066 VKDYAPORTFEUKG-QFIPXVFZSA-N 426.496 2.066 30 10 IEEE Cc1noc(C)c1[C@H](C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1290911134 PGKKSEOQGLYODS-LDJQZATESA-N 444.536 2.456 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1300267762 JWAMLRYFWPJVTB-ROUUACIJSA-N 442.589 2.107 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1300441734 XWHQLDZMPWUBNI-SGXKBVARSA-N 428.558 2.359 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1300591910 YCCREZLUWJDSLH-UHFFFAOYSA-N 446.555 2.302 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCN1CCN(C(C)=O)CC1 1300647668 IFGVPVGPDHFBKM-UHFFFAOYSA-N 449.534 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1300725727 CVWHGCDGCUQPGU-UHFFFAOYSA-N 444.580 2.206 30 10 IEEE C#CCSCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C 1300777882 FZQRATAAENMPIF-IBGZPJMESA-N 446.665 2.465 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300891955 PEXLAXFEDYGKGI-SBHAEUEKSA-N 445.589 2.253 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C)c1ccccc1 1301003148 DZWUOYVGWMXZMA-BJLQDIEVSA-N 444.605 2.275 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301040649 IBARSIBTIQRYOY-ZWKOTPCHSA-N 436.988 2.058 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301258071 KHUQTQWBVSALCF-RTBURBONSA-N 427.553 2.270 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CCC(OC)CC1 1302311575 NWVPQUSCFYYSOQ-TZCBXBLLSA-N 433.553 2.326 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1302409295 NFKSFCMZFNITMA-CYFREDJKSA-N 449.559 2.036 30 10 IEEE O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252888 ROBVPIHYEASAKF-UJNFCWOMSA-N 446.298 2.392 30 10 IEEE CCO[C@H](CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C 1314070957 GMZDDSWYNQGQSN-JQVVWYNYSA-N 435.569 2.499 30 10 IEEE C=CCO[C@H]1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 1320308251 OPJBOLJIUZUZPS-GJZGRUSLSA-N 426.254 2.200 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCC[C@]3(CCOC3)O2)n1 1359028084 GVHKVRKIPFJSTL-NFBKMPQASA-N 442.564 2.051 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)NCCC)CC1 1359030421 VYMXJIPHOIAYKS-GOSISDBHSA-N 442.539 2.229 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1359043082 GMCJDXZHWLYCAA-WOJBJXKFSA-N 449.603 2.426 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359202414 RYFCZAALNCODPF-ZWKOTPCHSA-N 429.569 2.168 30 10 IEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359228353 ADKRBEPLXKGHBG-UHFFFAOYSA-N 426.546 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=CCC1 1359326932 NJZPPFKHNBYMLP-UHFFFAOYSA-N 449.964 2.229 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359473834 JDPUUWFEOKKCJK-BZUAXINKSA-N 430.475 2.031 30 10 IEEE C#CCN(CC(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)C(=O)OC(C)(C)C 1442914987 BZCUNWJVQAQXDH-GOSISDBHSA-N 428.533 2.193 30 10 IEEE COc1cc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)ccc1F 1448408507 JIHGHGHQYKDKBQ-UHFFFAOYSA-N 435.452 2.233 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1455706490 UOPVLHOYPTXYCP-CXAGYDPISA-N 437.327 2.412 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCCN(c2ccccc2)C1=O 1465080363 XAOHYRLLQZIARM-IBGZPJMESA-N 429.473 2.391 30 10 IEEE CS(=O)(=O)N1CCC(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 1467699103 DGOQIOWLUUHYQO-LJQANCHMSA-N 438.981 2.111 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)cc1 1469730782 YUQCXFVAHZXHNU-TXPKVOOTSA-N 429.521 2.332 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)ccc1OC 1470613773 RIBUERVDMDAOBB-MOPGFXCFSA-N 446.548 2.449 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC1 1505350346 FHFJIEXYFIODPQ-BMRADRMJSA-N 446.309 2.162 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1507626764 BVNOLTQIDVUIMJ-INIZCTEOSA-N 429.571 2.329 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCOCC1 1507642526 WIETWWSUAALGRN-UHFFFAOYSA-N 440.573 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507656575 YMEXJARATRAYOE-URXFXBBRSA-N 436.512 2.277 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1507686709 GNCCVXUTNXKWHE-NHCUHLMSSA-N 436.560 2.071 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCC[C@@H]2C)CC1 1507729344 ZQKDRVMZHNTPRD-NRFANRHFSA-N 436.604 2.311 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1507733068 XGZZXPMQQBRRTR-YADARESESA-N 441.576 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CSCCS2)CC1 1507737067 YVEZNPQKLJPOJR-KRWDZBQOSA-N 444.630 2.098 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507747762 LDJYLGVGXDRSAL-YJBOKZPZSA-N 441.557 2.044 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507927392 SGVPPZLBIBWFKP-QGZVFWFLSA-N 445.545 2.346 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@](C)(CC)O1 1508040408 WQDDKGFFYQZFPZ-UWVAXJGDSA-N 426.583 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1508131502 NIJTZUAWZPHJRH-LAQRGFTBSA-N 435.594 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508135656 KPYBOPWHPKFFEQ-UXHICEINSA-N 446.573 2.239 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1509864934 PFRDRPQPHVSFHK-SFHVURJKSA-N 426.521 2.246 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OCCN(C)C)cc2)n1 1511136947 CZUPUJOFDROGBO-OAQYLSRUSA-N 447.543 2.366 30 10 IEEE C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1512313802 DPKBGABQXPXAIX-SJTPKYKMSA-N 428.537 2.181 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CCCC1 1515393008 HJTVPPIVQUVKSC-NRFANRHFSA-N 429.546 2.135 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1516222406 NQJCVXPYILQXSB-JOCHJYFZSA-N 428.537 2.221 30 10 IEEE COc1ccccc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1518489001 ZIMCSALBMICPKN-AWEZNQCLSA-N 444.517 2.046 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nnnn2C)c1 1520130617 JREZBVOTJWCTIY-UHFFFAOYSA-N 432.893 2.497 30 10 IEEE C#C[C@@H]1COCCN1C(=O)Cc1cc(Br)cc(I)c1 1535553465 WNFMUKZQERBKGL-CYBMUJFWSA-N 434.071 2.457 30 10 IEEE CO[C@]1(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCS(=O)(=O)C1 1538274022 IRWNGHVRUGISNE-FQEVSTJZSA-N 439.965 2.138 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCCC1 1539178574 IQOHOYUTZZVNAR-IAGOWNOFSA-N 433.603 2.148 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1539231367 RRTWKRPYKAUUIY-AWEZNQCLSA-N 442.994 2.399 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1539948604 QJYOEDSPIWUTOC-WOJBJXKFSA-N 436.560 2.475 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CCC(N)=O)CC1 1539990763 PSMGKULGHZKNJB-UHFFFAOYSA-N 435.536 2.369 30 10 IEEE C[C@@H]([C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)S(C)(=O)=O 1542096705 UZXMOLCQOJRMHG-MPOVDCALSA-N 443.591 2.287 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CN(C(=O)OC(C)(C)C)C1 1555611796 FEEOPFGSHWJMAW-JKSUJKDBSA-N 436.557 2.465 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)nnc1-c1ccco1 1556699151 NCBBVOUWQBZIBZ-AWEZNQCLSA-N 441.517 2.417 30 10 IEEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)CNc1ccc(C#N)cn1)C2 1558142079 DFAWKZUDLOIJDU-UHFFFAOYSA-N 428.518 2.431 30 10 IEEE Cn1nccc1[C@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1558499391 VZLXGWDALUWBDE-GOSISDBHSA-N 429.546 2.383 30 10 IEEE C#CCOc1cccc(Cl)c1CN[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1561038838 YYLMMPOPPRJQMK-CHWWFWEZSA-N 425.934 2.341 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(-c3nncnn3)cc2)cc1B1OC(C)(C)C(C)(C)O1 1583444536 JSNOIUIRGNKKPF-UHFFFAOYSA-N 431.305 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(S(=O)(=O)NC)c1 1587656597 KMRQEUUKCSNWAK-HNNXBMFYSA-N 429.571 2.345 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588054617 OLCLQQSCAAUUQO-IBGZPJMESA-N 447.605 2.011 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)CN(C)C)CC1 1588768278 DEBGIFDYAMENAD-UHFFFAOYSA-N 425.537 2.196 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1589484618 UOJAPDPFUGWPJU-CROMWVBPSA-N 447.580 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589546143 PDIGGEUAWWZZGX-PXNSSMCTSA-N 427.553 2.337 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1593908265 ICJZCSJMYPRCNV-UHFFFAOYSA-N 446.939 2.325 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)Cc2ccccc2)CC1 1594015116 YLKZHYCJTBYNEE-GOSISDBHSA-N 432.594 2.177 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1595550375 DIHYUBMEUCJTBL-UHFFFAOYSA-N 430.513 2.115 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595550475 FBIAWOKHPBUKJD-UHFFFAOYSA-N 430.578 2.193 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OC(F)F)c2)C1 1595745219 RKBOOZKARGDGCV-MRXNPFEDSA-N 448.474 2.227 30 10 IEEE CC(C)[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1598228523 SJONDLMHCGDJQK-XMMPIXPASA-N 446.559 2.264 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3Cc3nccs3)CC2)c1C#N 1612469767 GFYKVMVSAQZWES-UHFFFAOYSA-N 425.566 2.222 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCCC1 1616922603 GKOOXCQBPKNPHU-UHFFFAOYSA-N 438.580 2.284 30 10 IEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1618188421 LKOIFHLEIFFGND-OAQYLSRUSA-N 449.515 2.003 30 10 IEEE CO[C@H](C)c1nc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cs1 1618927422 ANTADPQKODRJLS-PBHICJAKSA-N 425.518 2.205 30 10 IEEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1619676020 IXKUTYHYOMYOEB-UHFFFAOYSA-N 436.476 2.238 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br)C1CCOCC1 1622380417 ZJKAWWZVVMVCFL-HNNXBMFYSA-N 430.320 2.333 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)C1 1625163884 OWNLNVDHJFOACD-BNGSBABLSA-N 432.565 2.490 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3ccc(F)c(C#N)c3)CS(=O)(=O)[C@H]2C1 1627830531 SNFPFHQFIRNFLK-UNEWFSDZSA-N 437.493 2.306 30 10 IEEE C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1629980324 PHXKCQZROGSILO-HNNXBMFYSA-N 426.844 2.129 30 10 IEEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1631522091 DBSJGUFEAGUGNJ-KRWDZBQOSA-N 449.433 2.357 30 10 IEEE C#CCN(C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C1CCN(C)CC1 1635680783 ZNPYDQSQQSNAIS-IBGZPJMESA-N 444.580 2.410 30 10 IEEE C=C(C)CCNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1637123476 GHFJADZCJDUPED-UHFFFAOYSA-N 435.315 2.305 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc(Cl)ccn3)CC2)s1 1638806778 IJBURDYYTHLVFE-UHFFFAOYSA-N 440.978 2.152 30 10 IEEE C#CCNC(=O)C1CCN([C@H](C(=O)OCC)c2nc(Br)sc2C)CC1 1642861536 DECIRFLZKPZECH-AWEZNQCLSA-N 428.352 2.280 30 10 IEEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@@H]2c2ccc(I)cc2)CCC1 1654986769 QTKYTRJGVLDDJW-HOTGVXAUSA-N 439.297 2.209 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@H](CCO)C2)n(Cc2ccc(F)cc2)c1C 1655116890 QPRCBNORVNUWGR-MOPGFXCFSA-N 428.508 2.025 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3sccc3C#N)CC2)c1 1663159212 CVAATTZMXQXEJM-UHFFFAOYSA-N 436.515 2.175 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1666053219 ITOWQGJNTRTKAO-NHCUHLMSSA-N 433.574 2.052 30 10 IEEE COc1ccc(-c2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)s2)cc1 1678618268 HHDIVVZEXALBAD-UHFFFAOYSA-N 425.470 2.057 30 10 IEEE C=CCC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1679140081 FDFDUUXAJZOHKW-AWEZNQCLSA-N 425.327 2.176 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689992008 FVWUMLVYTHVIQN-SIKLNZKXSA-N 430.574 2.011 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)[C@H](C)CC 1690013368 LQCWYVDPFUWZAG-VGSWGCGISA-N 442.589 2.108 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1690170176 AYQZXSAIJBYSIZ-QGZVFWFLSA-N 446.527 2.200 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(CC(C)C)c2C)CC1 1690396700 JSSMCCJZSRQZLP-MRXNPFEDSA-N 449.625 2.500 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)cc1 1690668582 AUTAYLLEKLRFGD-UHFFFAOYSA-N 442.321 2.436 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1690671356 ULINGEJGQMJYPS-OALUTQOASA-N 425.533 2.477 30 10 IEEE CC[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1/N=CC=CC1=O 1693994999 AAURNLTXLYOZNP-HDRCJFCASA-N 446.943 2.341 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1696749381 CZPBGDVDXIHEKL-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCCC2)CCOCC1 1698137963 NSLBTKRKZUJYNA-IBGZPJMESA-N 446.596 2.387 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1698241938 RXUZKZCNPGGQKC-UFYCRDLUSA-N 446.596 2.100 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CC(OCC)C1 1705545157 RIXRPCRHLVBFTQ-UHFFFAOYSA-N 445.589 2.470 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1705559745 FNSIUPZOJHVMQD-LJQANCHMSA-N 442.589 2.072 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(CC)(CC)OC 1705580522 LPONDZFUBMCBQY-UHFFFAOYSA-N 432.528 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1705584051 VMMMRXLVDVRMTA-NRFANRHFSA-N 436.579 2.354 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](SC)C(C)(C)C 1705588405 DWSLPFSYECFINH-JKSUJKDBSA-N 425.624 2.129 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705612063 XVMBIASGAPDRKG-IRXDYDNUSA-N 430.553 2.336 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nnc(C)s1 1705628775 OTHJBUMCCAFULJ-KRWDZBQOSA-N 426.502 2.085 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCn2ccnc21 1705630286 MYTJMESTICRMTQ-KRWDZBQOSA-N 425.562 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)nc1 1705668516 NWIGPVJHAQLBNY-IIBYNOLFSA-N 446.577 2.113 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1705704753 YZRXGTSHCJQKCO-VQIMIIECSA-N 449.552 2.147 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705889593 LSPASNXLCXOIAH-CYBMUJFWSA-N 444.517 2.037 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1705902823 KDXKQGKTPDVHIS-HNAYVOBHSA-N 447.486 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](OC)C1 1705938922 NDPYWUWKDYYJOQ-BRWVUGGUSA-N 426.583 2.023 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1706229234 BOHKYVARQCVPCZ-IBGZPJMESA-N 447.547 2.449 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1706746775 DPDYTKRIUJQESL-WBVHZDCISA-N 444.540 2.291 30 10 IEEE CN1CC[C@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@](C)(C#N)C2)C1 1711276271 RLGFYFDQNCLITE-FGZHOGPDSA-N 430.503 2.344 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712263833 GSVIDERHONVIBT-RLBWVDARSA-N 440.479 2.083 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722330657 WEOIPAYGSJUWFK-UHFFFAOYSA-N 432.532 2.496 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722358527 COUKUAQLZLWKQK-GOSISDBHSA-N 432.546 2.290 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1722411784 PRHQOGAGPDVHKE-WIYYLYMNSA-N 441.601 2.087 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCc3ccccc32)CC1 1722573833 AUXNYLDMPZDTPK-OPAMFIHVSA-N 445.589 2.125 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722694720 FQZLYESCIGTYTH-BGYRXZFFSA-N 441.532 2.234 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(Br)cn2)C1 1722719694 YQTAHRXGXQHJOQ-GOEBONIOSA-N 437.342 2.223 30 10 IEEE CC(C)COc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1723487865 HYPMGDHLXSSQIG-LJQANCHMSA-N 438.532 2.326 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1728201678 NMAJJKPFODDPBZ-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCSC1 1729369975 UVQUARTZZNWTKT-LAUBAEHRSA-N 429.546 2.476 30 10 IEEE COCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1730729573 HBDGICISYDIWLU-UHFFFAOYSA-N 434.548 2.050 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CC1=O 1730785680 HYBRWQHUBQYNHN-SFHVURJKSA-N 426.546 2.007 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CC2(O)CC2)c1 1731178779 HKRPGVZWAGVYJO-UHFFFAOYSA-N 448.449 2.237 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1731188252 CQLYMWVTPWEJSF-VXGBXAGGSA-N 428.440 2.424 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740586840 OXACITBXZSFVMM-GOSISDBHSA-N 436.560 2.156 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740592983 ORDGQNCSLPYIOZ-UHFFFAOYSA-N 445.589 2.151 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740619322 HTIHAJKZGFYGAH-OXQOHEQNSA-N 449.964 2.189 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC[C@H](F)C1 1740684148 XFFSIPYQLQIOQD-IRXDYDNUSA-N 448.568 2.462 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)CC1 1740691857 OKVWUANIKAUTEH-UHFFFAOYSA-N 426.952 2.413 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740835767 CMQWUADUPMKSAT-UHFFFAOYSA-N 446.573 2.296 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1740914737 KFEGTVUKTIPJKC-LEWJYISDSA-N 433.516 2.283 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1C 1740939307 UVQKUQIQCBXJJQ-MJGOQNOKSA-N 438.536 2.232 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)no2)C1 1740974377 LRUCJFINOKOTOV-KRWDZBQOSA-N 443.529 2.475 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1741162631 AARBYZICKZPXOE-HSZRJFAPSA-N 439.539 2.366 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)cn1 1746347740 BMCXVZBXEFMALH-UHFFFAOYSA-N 430.520 2.431 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCSCC)CCOC1 1746728478 MABJHEMSQKWKEP-WIYYLYMNSA-N 434.610 2.250 30 10 IEEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1748043675 BBQLBKRDWWKYTG-GOSISDBHSA-N 436.520 2.157 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1748668279 IGUKYGPZHVPLCY-YESZJQIVSA-N 430.553 2.129 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnc2n1CCCCC2 1748956518 FVANNLFBLBVWJA-UHFFFAOYSA-N 440.939 2.446 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OC(F)F)CC1 1748986715 HYLMFJXDKCQYLU-UHFFFAOYSA-N 425.443 2.140 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)CCS(C)(=O)=O 1749131797 VWXQMVJMHSROFM-BZSNNMDCSA-N 426.583 2.372 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1749154672 YWQMOPBUITWQAH-DLBZAZTESA-N 438.532 2.134 30 10 IEEE C=CCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1749439680 GKZBYEFQSDGBAG-QHCPKHFHSA-N 437.548 2.490 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1749668876 FWZKBEKNCJAZKD-KBXCAEBGSA-N 449.914 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(C)c1C 1749736272 HODMMPBUWMWTIP-UHFFFAOYSA-N 434.591 2.210 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1COc2ccccc21 1751209536 ABNXDOBOVJKBDP-RDJZCZTQSA-N 444.561 2.195 30 10 IEEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(N3CCOCC3)CCSC2)n1 1751601937 HNIAYUHJPAGJDC-VGSWGCGISA-N 441.605 2.452 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccco1 1760112350 FPBFVKGBBITZAL-HXOBKFHXSA-N 435.532 2.411 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1760135225 NGFXFJLHWIBCOI-UHFFFAOYSA-N 430.516 2.365 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(OC)C1CC1 1760173000 GGKRLJBTWFHXIU-OAQYLSRUSA-N 431.562 2.080 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760177432 QALZBGKVNYRHNJ-UHFFFAOYSA-N 448.552 2.179 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760192863 YVIQKZLBMKZGCZ-UYAOXDASSA-N 430.574 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760200241 ZDPJVAGNTXDZDC-QFIPXVFZSA-N 432.572 2.269 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1760235528 PPXYLNMXSWRANI-HTAPYJJXSA-N 435.569 2.453 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1760235553 QECQSCOTQOLHJY-WIYYLYMNSA-N 425.533 2.097 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1760347257 OBMZPBPAGSRSQV-UHFFFAOYSA-N 437.592 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(F)F)CC1 1760552245 HXFHNEZDXKEINE-UHFFFAOYSA-N 443.495 2.072 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760560351 SONIUYXATXIMFZ-HNAYVOBHSA-N 445.655 2.449 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)CCNC(=O)C(C)C)n2Cc2ccc(C#N)o2)CCOC1 1761278587 DXBPAFADFZRHCR-JOCHJYFZSA-N 444.536 2.040 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1765397728 AHPFPAXSSHWKPS-UHFFFAOYSA-N 449.559 2.228 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1768281186 OBOVSHCQRUTCIQ-HZPDHXFCSA-N 448.618 2.476 30 10 IEEE Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1769052879 YMCRONQNTKXPAC-SFHVURJKSA-N 438.561 2.402 30 10 IEEE COC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1769256490 HCTYGJCGMDEUBH-FCHUYYIVSA-N 448.527 2.375 30 10 IEEE Cn1cc(CN(CC2CC2)C2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)cn1 1852296791 FUQKXULOKQASFD-UHFFFAOYSA-N 435.528 2.466 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1852621047 ULHYCJYFYIGRBV-QWHCGFSZSA-N 430.383 2.462 30 10 IEEE C=CCN([C@H]1CCCN(C(=O)c2ccc3nc(C)sc3c2)C1=O)[C@@H]1CCN(C)C1=O 1853681362 AFQQSKZNQVITBU-ZWKOTPCHSA-N 426.542 2.455 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H](C)n1cccn1 1854515734 CBVBBXCEAXZJJS-INIZCTEOSA-N 428.514 2.313 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc4ccccc4c3)C(=O)O2)CC1 1856739964 ZUMLPYKPAVDQDG-IBGZPJMESA-N 427.482 2.366 30 10 IEEE C#CCOC(=O)Nc1ncccc1OCC(=O)Nc1nc(C)c(C(=O)OCC=C)s1 1858699330 QFXVHKCAPURZEK-UHFFFAOYSA-N 430.442 2.389 30 10 IEEE O=C([C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N(CCO)Cc1ccccc1 1869929832 OABGCRCYIBZPSO-QFIPXVFZSA-N 449.532 2.488 30 10 IEEE CC(C)(C)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc(Br)cc2)CC1=O 1870148717 AQIORVCVJHADTE-LLVKDONJSA-N 431.294 2.487 30 10 IEEE C#CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870560616 DQSVNUSMBZABJI-NRFANRHFSA-N 437.540 2.370 30 10 IEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870561439 MUISJVHLHASSCT-SELNLUPBSA-N 439.556 2.478 30 10 IEEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871531378 ALOLCYZQYLKLLV-UHFFFAOYSA-N 433.516 2.014 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2)cc1OC 1874238131 SOTCZIQYKPUTSA-SSDVNMTOSA-N 427.486 2.051 30 10 IEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)cc1 1874302579 GFCAWEIOJYTASJ-FSJBWODESA-N 439.497 2.425 30 10 IEEE C#C[C@H]1CC12CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 1891724913 NYIHFSXPOVTNBH-LPHOPBHVSA-N 431.514 2.400 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1962799518 AZKUWSNFEKRWPI-HNNXBMFYSA-N 427.542 2.334 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2235733212 ZTKFGFRMQKMHEU-RCCFBDPRSA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)NCCCONC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243389156 HLVWODFWNJRATB-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE CC(C)(C)OC(=O)NOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2255545471 QRDVGIUFPGAGFQ-UHFFFAOYSA-N 435.330 2.308 30 10 IEEE CON(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2255819114 WAKWNHYAIYIXGE-UHFFFAOYSA-N 439.293 2.048 30 10 IEEE CC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC(NC(=O)OC(C)(C)C)C1 2255824696 MTVFTCJJRFKJKS-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255851426 QESMPGZVAMAAAF-LBPRGKRZSA-N 430.232 2.252 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCC(=O)O)Cc3ccccc3)c2)OC1(C)C 2256904114 IHJAMETXNOJIAS-UHFFFAOYSA-N 446.334 2.046 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2257487699 PJFWONJVOFEOGV-MRXNPFEDSA-N 431.342 2.428 30 10 IEEE Cn1cc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129624 DEGMDVKSZDIRCR-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267502673 RELFCZPLIKILAQ-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267564058 RDYNFXPTFFSUTD-JKSUJKDBSA-N 449.357 2.068 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](O)[C@@H](N)C#Cc1ccc(Br)cc1 2278808136 ZLRIQWBVXSBCAE-BBWFWOEESA-N 425.323 2.125 30 10 IEEE C=CCC1(N[C@](CNC(=O)OC(C)(C)C)(COC)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2306171975 YYCHRXUEEMPWCT-OAQYLSRUSA-N 443.541 2.136 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@@H]21 2312638744 FIVMAWKMJPTCTA-IXDOHACOSA-N 432.326 2.394 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C(\C)c2ccncc2)n1N 21324458 UNVAVUQRBFUTOR-YDZHTSKRSA-N 426.506 2.353 30 10 IEEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(=O)NC(C)(C)C 29705568 JJIIHOKEVBXMQT-MRXNPFEDSA-N 429.565 2.203 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n[nH]2)cn1 59832063 NHKVRHOFOZYUSX-KEBDBYFISA-N 425.522 2.430 30 10 IEEE CCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)S/C1=N/c1nnc(C)s1 101131501 LYUKAPDBXSSWEW-GNZBNVCGSA-N 429.483 2.272 30 10 IEEE Cc1nc(C(F)(F)F)sc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 461734499 DUHVYPIVJFCAPS-UHFFFAOYSA-N 444.460 2.489 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 474658316 ICKSGKRLJWFFSF-IBGZPJMESA-N 442.516 2.055 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccc(F)cc1 480950477 GXWQAHCLQDCONC-UHFFFAOYSA-N 443.525 2.137 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 503151957 MMEFARSWQYBFJP-JOCHJYFZSA-N 449.573 2.359 30 10 IEEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508881717 SNBXARVYTAFJHT-HXUWFJFHSA-N 425.581 2.066 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 508886770 DXBZIIOPSWGJIG-UHFFFAOYSA-N 444.473 2.143 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(F)c(F)c3)c2=O)CC1 523652746 NHEOZRIECJKDPI-UHFFFAOYSA-N 443.519 2.327 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2C[C@@H]2CCCCO2)cc1 549646987 NBOJOXYVMGNKBX-FQEVSTJZSA-N 436.516 2.109 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@]2(CCOC2)C1 559011404 XJDKFBFCQWEESW-HSZRJFAPSA-N 436.516 2.247 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 590897851 RMOKXBBMSGARCA-UHFFFAOYSA-N 447.472 2.399 30 10 IEEE COC(=O)[C@]1(NCC(=O)N(C)C2(C#N)CCCCC2)CCCN(Cc2ccccc2)C1 611265827 JMIGABJBPVSIKN-DEOSSOPVSA-N 426.561 2.469 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC(=O)N2CCOC[C@@H]2C2CC2)CC1 611530714 XQIJQEKKRLEEFX-VQTJNVASSA-N 447.377 2.269 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)n1 612846093 GZVCKQQGJPWNMB-UHFFFAOYSA-N 430.917 2.262 30 10 IEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669809559 DTLIDFFCCWEZHA-UTKZUKDTSA-N 426.540 2.183 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccoc3)c2=O)c1 727418387 YXXSENXFGPACMF-UHFFFAOYSA-N 429.501 2.035 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)cc1 730143508 UGHANYNJTANTJO-GOSISDBHSA-N 429.546 2.491 30 10 IEEE Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N4CCN(C5CC5)[C@H](C#N)C4)cc3)nc12 732706770 OKFCSHAQBZJGJF-HXUWFJFHSA-N 428.496 2.447 30 10 IEEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCO1 741245692 HXDVGUIRKXVERQ-LJQANCHMSA-N 428.464 2.307 30 10 IEEE COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cn(C)nn2)NC(=O)N1CC1CC1 741652687 HYUDKHZCGIDJIX-MRXNPFEDSA-N 429.864 2.255 30 10 IEEE C=CCOCCCC(=O)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1F 761163392 LRDAOZADYHMGQC-UHFFFAOYSA-N 438.271 2.163 30 10 IEEE Cc1cccc(C2(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 765660290 FHGHCVJETQSRTQ-SFHVURJKSA-N 441.553 2.352 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 772728462 GZQFOUVHXBQWIW-CCWVLBSLSA-N 434.500 2.185 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1 789321197 TYGRIDHKUXAQIF-ZWKOTPCHSA-N 426.517 2.002 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)nc1 790361009 RUVOOKYOSMQFJQ-UHFFFAOYSA-N 430.880 2.160 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC=C(C)C)cn1 790713497 CJVQRYWJOAKDGL-QGZVFWFLSA-N 433.578 2.446 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)cc1 807934447 LETNBHVKYSHZNF-LJQANCHMSA-N 430.574 2.341 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)ccc1F 808463988 GGCSUXVUXCMGFL-UHFFFAOYSA-N 431.489 2.450 30 10 IEEE CCc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 839354506 DBKDJTNWXYDNHD-UHFFFAOYSA-N 445.500 2.268 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@H]3CC[C@H](O)CC3)C(=O)[C@]12C 1075997220 CGQSGZRONCWFIQ-YSYMVNNTSA-N 441.480 2.462 30 10 IEEE COCCn1cc(C=NNc2nc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)n[nH]2)cn1 1083929420 IPTFLVUPLRQRLZ-UHFFFAOYSA-N 442.465 2.170 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccc(C)o3)n2N)c1 1084452178 FSNAVVJGDYHWSR-UHFFFAOYSA-N 431.478 2.087 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)cc1 1084640578 QUSHPWICKIZKDT-UHFFFAOYSA-N 425.474 2.077 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCCN1C(=O)c2ccccc2C1=O 1128812516 HJRROYIKMCIWQC-QGZVFWFLSA-N 428.489 2.376 30 10 IEEE C#Cc1cccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1129841291 CFZWUSTUVFEJBK-FQEVSTJZSA-N 427.482 2.436 30 10 IEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)[C@@H](C)COC 1130890493 YSBYPUKPGULKMP-INIZCTEOSA-N 439.534 2.353 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1136574964 IGKAJMPMGHLRJJ-PGRDOPGGSA-N 433.553 2.225 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOc1ccc(F)c(Cl)c1 1141118800 GDSIVEWYFORCTA-LBPRGKRZSA-N 425.869 2.213 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cc1 1141821111 JBPPCOVNSMZKEE-LNUHTHKGSA-N 430.534 2.242 30 10 IEEE O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)N[C@H]1CCN(O)C1=O 1159325079 QMVNKUDAYOTHKU-ZDUSSCGKSA-N 433.877 2.379 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1C(F)(F)F 1175974603 VJYFJIOVEVNZBD-CABCVRRESA-N 431.459 2.277 30 10 IEEE Cn1ccnc1[C@@](O)(CCNc1nc(N)nc(C(F)(F)C(F)(F)F)n1)C(F)(F)F 1184840044 VIOTXEBKRHGAJP-JTQLQIEISA-N 435.279 2.094 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(C)s1 1230590338 UULOCDAVSCYNNY-UHFFFAOYSA-N 447.586 2.047 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 1264635112 WMWDYCMCARQGQW-QQJQMVHRSA-N 436.534 2.351 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC=CO2)c1 1286309410 RVDDHCXKOFEYLC-HXUWFJFHSA-N 448.527 2.263 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1286390472 AHKHSVATTIDCTM-HZPDHXFCSA-N 426.608 2.288 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286410265 YMQDKGIWIKUHLU-HSZRJFAPSA-N 440.551 2.336 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCN(CC)CC2)CC1 1286474591 IOEWTLVESDTBQK-UHFFFAOYSA-N 449.647 2.290 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N(C)C2CC2)CC1 1286485270 HPGLQPGFCSWDAW-CEWLAPEOSA-N 428.625 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@](C)(O)c2ccccc2)CC1 1286495173 RXVDOAHUKYQQCW-DEOSSOPVSA-N 439.560 2.078 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](OCC)C(C)C 1286516952 OAGIQMIVYXCFSH-FUHIMQAGSA-N 425.599 2.332 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)COC)CC1 1286605054 GMZBPSHXOBJRBF-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286690561 SEZRFIIXAAGVQT-SFHVURJKSA-N 429.569 2.063 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286774999 UQNCOVIOPYEZFU-SJORKVTESA-N 430.553 2.293 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C)[C@H]1C 1286782841 AXJLTYNKIIRYQF-CABCVRRESA-N 429.546 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286785375 KJCFGDIFBJEDOM-GOSISDBHSA-N 449.559 2.044 30 10 IEEE N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)nc2n1CCOC2 1289684198 SFEHBQPQEZDDNA-NSHDSACASA-N 430.262 2.039 30 10 IEEE N#Cc1c(CCCNC(=O)/C=C\COC2CCOCC2)nn(-c2ccc(F)cc2)c1N 1290812045 DGGCFNYVUUDWIL-RQOWECAXSA-N 427.480 2.266 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)C1 1294847390 GVWTYQPBLQVAJR-UZUQRXQVSA-N 437.500 2.448 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCC[C@@H](S(C)(=O)=O)C3)C2)C1 1297175392 GUSHMWRKHDLEIE-JWRWLIQVSA-N 439.578 2.199 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(COC)CC1 1300391131 HIUGCQLUROQSAF-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccs1)N(C)C 1300527330 FSQKLQAAPIQHSM-KRWDZBQOSA-N 436.541 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNS(C)(=O)=O 1300563795 MSKYPYOJERUASE-MRXNPFEDSA-N 445.614 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1300725322 GTXKSWWQUFZHFN-QFIPXVFZSA-N 429.952 2.367 30 10 IEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC[C@@H]1C 1300829444 CZJQGUORKQRYKX-ZDUSSCGKSA-N 441.351 2.482 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300843369 AJFMJSTYYQQFGI-UHFFFAOYSA-N 425.375 2.055 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)c1 1301031698 HBZCYPIGUHQVHV-HXUWFJFHSA-N 426.538 2.497 30 10 IEEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1301056555 NIYYUEKDCLORCL-INIZCTEOSA-N 449.556 2.353 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)Nc2ccccc2)CC1 1301066536 RKXQVYPTLVVEPP-INIZCTEOSA-N 432.550 2.074 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1301410565 HFQYADDLPMXXTL-QGZVFWFLSA-N 444.561 2.099 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccnc2OC)C1 1301568132 OVJUIVYOANRAOF-FHWLQOOXSA-N 429.521 2.235 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cccs2)CCOC1 1301956202 GHQFRDIDBNVLBF-KKSFZXQISA-N 446.577 2.406 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1302449473 RNVCOMWOGVDYGV-MAUKXSAKSA-N 433.509 2.273 30 10 IEEE Cc1nc(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C2)no1 1304676426 FKJZFUSCHHSPTB-OAHLLOKOSA-N 438.492 2.080 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1309635204 IPPCUINASMDJHA-UHFFFAOYSA-N 438.553 2.417 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1nccs1 1314528762 DDBKEGVYNFOKMK-UHFFFAOYSA-N 430.559 2.387 30 10 IEEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1315910179 FQPPANKHCRXXJK-UHFFFAOYSA-N 446.577 2.007 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1316347134 BMJLRZJFEIQRGG-IBGZPJMESA-N 429.546 2.114 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2)NC(=O)NC1=O 1324965024 BXHLKNJJCGIPLP-DEOSSOPVSA-N 447.495 2.366 30 10 IEEE Cc1sc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c(C#N)c1C 1351225194 WLTDXQXKPZESFL-BFUOFWGJSA-N 439.559 2.457 30 10 IEEE C#CCN(C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1352903524 AOCVHUMWXVDRON-MRXNPFEDSA-N 425.432 2.213 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1358875229 LGGHZPJEDUZPMN-RDTXWAMCSA-N 437.342 2.047 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1358910933 FUKVXVJIZSHBQX-SVFBPWRDSA-N 442.608 2.358 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358926482 QIOFSJRYRDAGGC-QGZVFWFLSA-N 440.573 2.368 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358959336 GYBRCYIKCPBYFT-CVEARBPZSA-N 434.949 2.404 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncn(C)n1 1359009422 PIZUOELQGOAILP-UHFFFAOYSA-N 428.541 2.029 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1359010043 FCCGCFGHVBGOJC-SFHVURJKSA-N 440.573 2.388 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1359055159 UOZLJNQBRFVKMP-UHFFFAOYSA-N 438.557 2.264 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](C(=O)OC)C1 1359304822 KTWLABWBRDCYMC-GOSISDBHSA-N 441.532 2.111 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(N(C)C)CCOCC2)C1 1359322740 BGDXASMSWXPRRG-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE CC(C)c1ncc(CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1359673312 XAAYWQUPAYAQEF-DYTRJAOYSA-N 438.536 2.478 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1360797042 JDXWLWWRHMNXNE-WZONZLPQSA-N 438.532 2.246 30 10 IEEE CCCCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1458011794 QJPYQBJMJMAIHS-UHFFFAOYSA-N 443.541 2.237 30 10 IEEE C=CCn1cc(C(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)OC)nn1 1459959483 LBPXDOTZHMXDQA-HNNXBMFYSA-N 432.278 2.222 30 10 IEEE C#CCN(CC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)C(=O)OC(C)(C)C 1464991707 GHKBWPOVXBQUKM-UHFFFAOYSA-N 432.502 2.085 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)C(=O)OC 1467515054 CNRGTYYRGDKVAL-GOEBONIOSA-N 428.432 2.391 30 10 IEEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NC1(c2cccc(C#N)c2)CCOCC1 1470222435 ICURSLGUYDCYGP-UHFFFAOYSA-N 430.468 2.184 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1504108845 FINGYUXVPINVJB-YOEHRIQHSA-N 444.923 2.251 30 10 IEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CCOC 1507568930 UWPCABFKWCXYLY-IBGZPJMESA-N 445.564 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCC(F)(F)F 1507656838 MXLAKUKGVPXVGY-UHFFFAOYSA-N 428.418 2.102 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nnc2n1CCCCC2 1507700911 YCQSWWAXKUMAID-PXNSSMCTSA-N 427.553 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C)CCCC2)CC1 1507735786 GZRPVOYZUFBIBW-DEOSSOPVSA-N 443.592 2.476 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507787010 AJJPDQPGGIQHHQ-HNNXBMFYSA-N 446.309 2.442 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507830928 OTWZYNLQYCZKFX-LJQANCHMSA-N 426.496 2.351 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CCS1 1512502184 YHAYZRKQIQKOIB-KRWDZBQOSA-N 430.578 2.249 30 10 IEEE CCN(CC)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1515559715 XJWRVMFMYDHZMM-UHFFFAOYSA-N 425.537 2.224 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccncc2Cl)CC1=O 1517418154 LZWHHPCNBSJHAB-UHFFFAOYSA-N 437.891 2.104 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1518837929 GZFBYJQAFIIKBH-MRXNPFEDSA-N 432.475 2.451 30 10 IEEE COCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519075055 IKBYEVNWZCUTCX-UHFFFAOYSA-N 438.561 2.264 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1519102615 PVEFAYVEIFVXII-DENIHFKCSA-N 427.505 2.149 30 10 IEEE C=CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@H]1CCS(=O)(=O)C1 1520935400 NWTMDDAEKXITFI-AWEZNQCLSA-N 429.329 2.449 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1529819073 JGKWNXWOSGWCMU-IAGOWNOFSA-N 427.567 2.389 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C 1530251838 CAEXRIHPFALRLX-JOCHJYFZSA-N 442.541 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N3CCO[C@](C)(C#N)C3)c2C(F)F)C1 1536619268 NENONJKYDHCQGL-CWTRNNRKSA-N 440.451 2.152 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1539017367 ZZCVMPFXIHTZDB-HZPDHXFCSA-N 439.541 2.243 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2C[C@@H]2C)CC1 1539434956 YWHVUKVEBMXOCT-WMZOPIPTSA-N 425.533 2.382 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(C)=O)CC1 1539505881 FGENGYBQZVIRLJ-UHFFFAOYSA-N 441.557 2.141 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539630945 HMGXHOQEKKGSIL-WOZUAGRISA-N 433.597 2.310 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)c3c(Br)nc4n3CCOC4)CC2)cc1 1540293990 JHYSTPUIJMZGAU-UHFFFAOYSA-N 430.306 2.005 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H]1CCCOC1 1540866501 PCJCITLGXDNKPM-INIZCTEOSA-N 429.521 2.127 30 10 IEEE CC(=O)N1CCN(CCn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1541006776 DKMAZKLJXXZDLB-HSZRJFAPSA-N 427.597 2.305 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCc2cc(F)c(C#N)c(F)c2)C1 1556318467 NNXKGGVMYPFZGJ-FQEVSTJZSA-N 425.407 2.428 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] 1557096931 KOHDNTWIINUTBX-HUUCEWRRSA-N 427.461 2.471 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](N2CCOCC2)CC1 1561694880 BRQWYNDUDQIDDI-AWEZNQCLSA-N 428.352 2.196 30 10 IEEE COc1ccc([C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1564469486 SSPKHZOVCSFFHN-NVGCLXPQSA-N 442.335 2.098 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCC 1587580235 OGIDGBQATZDBFZ-HRAATJIYSA-N 433.578 2.204 30 10 IEEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1587965541 INMLAWBWNQOSII-LNLFQRSKSA-N 440.548 2.377 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC[C@H](C(F)F)N1CCOCC1 1588149246 KPLSKVJPSLBKGF-HXUWFJFHSA-N 445.489 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)c1ccsc1 1588259162 SRVSBNGBJBCJAS-JLMWRMLUSA-N 428.558 2.434 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1Cc2ccccc2C1 1588647803 YSYMOSSQSHILRA-NRFANRHFSA-N 442.585 2.071 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccc2F)CC1 1588749861 ALTQFWHSOFMBCY-DEOSSOPVSA-N 441.551 2.456 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1589223187 DXCSQKONQOZKKS-JOCHJYFZSA-N 441.486 2.313 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1594733436 TXILQBVNNNAUMG-QGZVFWFLSA-N 448.568 2.397 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1)C1CC1 1595033592 LWOPFUQDJMRSPV-UHFFFAOYSA-N 426.546 2.480 30 10 IEEE CC(C)NC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1610188376 PUARNZATSCMIOY-VHEBQXMUSA-N 429.569 2.069 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1614218966 TXGDVDUCTQWKGU-LHUAGQQPSA-N 440.504 2.377 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1615574872 ALSMUECNFUDZDD-IBGZPJMESA-N 436.520 2.403 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1623330450 CIURSHMXKHSZFA-FQEVSTJZSA-N 428.533 2.479 30 10 IEEE Cc1cccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1C(=O)NCCc1ccccc1 1626033300 FMRIXOVMKAVVSX-UHFFFAOYSA-N 445.479 2.130 30 10 IEEE CN(C)CC(C)(C)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1627904348 RRSULBCKJYUHRT-UHFFFAOYSA-N 434.606 2.332 30 10 IEEE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)n1 1629030016 VMXNRAIFUAVBNA-ZDUSSCGKSA-N 428.298 2.080 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CN(CCO)C(C)C)CC3)ccc2c1=O 1630709038 MDODYKBYSBHRBN-UHFFFAOYSA-N 444.601 2.426 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)c3nccnc3C(=O)NCc3ccc(F)cc3)C2)c1 1630761679 AEVCEWFFAMYXRR-UHFFFAOYSA-N 430.443 2.354 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H](C(=O)NCC(F)(F)F)C3)CC2)c1 1636586045 GNNFVDMNLHAEDJ-KRWDZBQOSA-N 437.466 2.233 30 10 IEEE CC(C)(C)OC(=O)N(CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1 1639853839 VJQGOMNWUKYKFT-UHFFFAOYSA-N 435.546 2.379 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1641380094 NSNSHEINTSNSPL-UHFFFAOYSA-N 427.498 2.498 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3C[C@H](N(C)C)C3(C)C)nnc12 1641661353 UFVXMQRYUFSHPH-IRXDYDNUSA-N 440.573 2.167 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)C1(CO)CCC1 1643776775 BNLXHUFASGEFIV-OXQOHEQNSA-N 427.526 2.245 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC4(CC3)C[C@@H](O)CNC4=O)c2C#N)C1 1648506870 YPDXTRIJIAOWEY-HUUCEWRRSA-N 430.574 2.036 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cccc(I)c3N)CC2)cn1 1651414446 PPLRVAHILHSSCH-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE N#Cc1cccc([N+](=O)[O-])c1CN1CCC(n2nncc2I)CC1 1654240225 LOEIHGUVXBJDMJ-UHFFFAOYSA-N 438.229 2.500 30 10 IEEE COC(=O)[C@H]1c2ccccc2OCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1660475803 WKYNYJJBNXIOGN-OAQYLSRUSA-N 431.452 2.291 30 10 IEEE N#Cc1ncn(CCNC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)n1 1672541918 DNXLTBASIZOJIM-UHFFFAOYSA-N 433.310 2.303 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1682398634 QASYZQIIIMGNCR-VVGBGTGLSA-N 445.541 2.136 30 10 IEEE N#C[C@]12CN(C(=O)N[C@H]3CCCCCN(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1684631494 OEMOQDUOZHIQJZ-JAXLGGSGSA-N 430.574 2.011 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1686549443 DASMJYFGFKELCI-UHFFFAOYSA-N 435.528 2.414 30 10 IEEE C#CCCCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1689907118 ZZKIZGPKDHHLHL-IBGZPJMESA-N 429.487 2.418 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCCCC1 1690095838 FCQXXXUOJNQFKW-UHFFFAOYSA-N 440.504 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](OC)[C@H](C)CC)CC1 1690148411 FYRSRECRWVPSJB-WIYYLYMNSA-N 438.576 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1690242790 CNDUAWSKDBXNJW-XLIONFOSSA-N 427.553 2.107 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1690597423 SVFHBXLWYCTZPZ-GOSISDBHSA-N 435.594 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690715489 MRWFVASICQJFPS-QGZVFWFLSA-N 439.626 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1690718028 YUGLJCBUGAZVEM-INIZCTEOSA-N 429.546 2.421 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@@](C)=O)CCC1 1691870544 DYBYNHPGFACJAK-RKXCMPKHSA-N 442.593 2.079 30 10 IEEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1696412670 ATAZXZOQSOQANG-UHFFFAOYSA-N 429.488 2.313 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1697063014 ZDZOMHGHBRRAKC-QZTJIDSGSA-N 425.489 2.155 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697209296 LFQMNXVGOPYHDN-SHQVNNEXSA-N 428.537 2.152 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1698485068 YOZHZSZCKWTLRQ-OXJNMPFZSA-N 433.509 2.088 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705516074 TWBXNFDBFUZSEC-QGZVFWFLSA-N 440.573 2.365 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705525358 FWNGFUAOQFIRHK-AWEZNQCLSA-N 440.367 2.083 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705525792 VHDOVGMXNMEADG-CQSZACIVSA-N 440.367 2.463 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN(C)CC(F)(F)F 1705556079 KRPFNVAVECTXTF-UHFFFAOYSA-N 428.484 2.223 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1705558710 GILMFJMAOMWVKT-QYWGDWMGSA-N 426.517 2.452 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N(C)C 1705671540 NQLQUIWXOGHLRL-JOCHJYFZSA-N 438.557 2.377 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1705876008 MSTKAWRUDSFPMX-LJQANCHMSA-N 449.552 2.171 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705888412 WJYZFCHXSSTXKJ-MJGOQNOKSA-N 431.562 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705902090 GBUBXMKTOAKDAI-LJQANCHMSA-N 449.559 2.108 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1705911584 LMWCHINYUMQKSJ-IEBWSBKVSA-N 425.533 2.452 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(CC(=O)N3CCCC3)CC2)cc1 1705912090 YNLMYVUOOXBURY-UHFFFAOYSA-N 438.576 2.198 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC)c(OC)c2)C1 1705922965 WRHYCLXJAAZTMF-ROUUACIJSA-N 441.532 2.466 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)OC(C)(C)C1 1705931156 HQXWQKXERLNXRQ-HNNXBMFYSA-N 449.533 2.458 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705931886 DRENVFJSECWTLB-CQSZACIVSA-N 447.483 2.422 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1706074760 DDCKDLSSYYQEJK-RTBURBONSA-N 436.626 2.432 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1706669599 QYJYSAUAXPGFSH-JOCHJYFZSA-N 432.569 2.317 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCOC1(C)C 1708273075 MIPBFIXHEZKECE-QMHKHESXSA-N 438.532 2.211 30 10 IEEE CCS(=O)(=O)CCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1710880161 HVSNOOLSWPFXBG-UHFFFAOYSA-N 448.568 2.348 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C#N 1710896323 NWKPVFFVSXKALD-BRWVUGGUSA-N 440.614 2.122 30 10 IEEE CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1712754146 YCJBGDBCZVBURN-QGZVFWFLSA-N 444.517 2.494 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1722370975 GLPHKBFGPMAWFB-LJQANCHMSA-N 443.573 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cccn1 1722390020 OAHQRBIXHSPFIH-UHFFFAOYSA-N 436.541 2.098 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCSC1 1722420736 KVPHCFSTFQQOOR-QFIPXVFZSA-N 438.557 2.289 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1722467825 GCXZOWSMXWMJOK-XMSQKQJNSA-N 444.557 2.146 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](OCCOC)C1 1722508706 KGWMGCBMGDETLC-DWLFOUALSA-N 427.549 2.487 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722673728 BXOUPLAGXLWLGJ-JOCHJYFZSA-N 448.589 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1722722469 OIXXMGSWRNBMSU-NHCUHLMSSA-N 439.516 2.316 30 10 IEEE Cc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1724652911 RSFFCHDZBWOXAV-AINLKENTSA-N 449.490 2.146 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCOCC(F)F)c1 1731183067 RBENUSOVJUCTTF-SJORKVTESA-N 430.459 2.203 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)OC 1740676697 KNVZZWUJWMBSBD-HKUYNNGSSA-N 434.537 2.384 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCn2ccnn2)CC1 1740690964 RBXOXJXKKHEXNN-NRFANRHFSA-N 448.575 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(OC)cc2OC)CC1 1740706408 WZMRVQNEPYUSHK-UHFFFAOYSA-N 425.533 2.066 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740714401 XISILRRNBHSVKO-UHFFFAOYSA-N 440.617 2.267 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1740827024 HBYGZEWEMYDDMR-FMQUCBEESA-N 439.545 2.317 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCOCC1 1740924548 VWWIRBQDSNUFBN-SFHVURJKSA-N 444.605 2.375 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)C1 1740972873 NXLNRQHYEQSDCT-SIKLNZKXSA-N 430.553 2.305 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1741134476 BMJUPAIHYKPUNY-GOSISDBHSA-N 435.532 2.126 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1741993083 FTBNUNSVBNYHKT-CVEARBPZSA-N 448.449 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC(C)C 1748638530 QSEJKULBWOYLDA-HNNXBMFYSA-N 430.940 2.234 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ccc(Cl)cn1 1748779576 PIJLNADIVPNCSF-UHFFFAOYSA-N 435.879 2.118 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@H](C)CC 1748788386 BNQPZDWLPUOMBL-MSOLQXFVSA-N 434.585 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CCC(O)CC1 1748859741 ZUQYETFUUJKQRA-HSZRJFAPSA-N 433.556 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CC(OCC)C1 1748891654 CKZIMSMPNAQJGD-VZQLXNMESA-N 436.512 2.184 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)OC(C)(C)C 1748950320 JHXOLAOMCZEAAT-UHFFFAOYSA-N 444.492 2.464 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1noc2c1CCCC2 1748970672 NLZMHBHQCRMGOJ-JXFKEZNVSA-N 429.521 2.003 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 1749004336 GMPYOJDARZBEEO-UHFFFAOYSA-N 436.560 2.026 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749278108 RRRRYPLPLFOIOO-HXUWFJFHSA-N 447.031 2.497 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1749475456 GOBIAEYYQPPDRZ-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749663342 ATOJQYQOSCIARG-UHFFFAOYSA-N 433.516 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCCCC[C@H]21 1749721718 RZQSODVMPLGXHW-QZTJIDSGSA-N 435.594 2.274 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2CCCC[C@@H]2C1 1749736207 GMKVNFLCNDOICE-OAQYLSRUSA-N 443.617 2.453 30 10 IEEE CC(C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750533605 FLTSIJKNIJGRSV-UHFFFAOYSA-N 438.923 2.358 30 10 IEEE Cc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)c1 1751592481 FDLKSOJXVAJKGF-UHFFFAOYSA-N 449.559 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCC(=O)N1CCOCC1 1760122375 KODHXAUEOCBCGI-IBGZPJMESA-N 425.533 2.181 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760160730 LNIACJFVPZPWAE-HXUWFJFHSA-N 444.417 2.445 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@H]1C(C)C 1760197372 VFJPMAFPSFERRK-CTNGQTDRSA-N 440.569 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)F)c1 1760210204 ODZGFOLSNGKQLI-HNNXBMFYSA-N 435.500 2.337 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760245664 AQSFLXLBWYVYME-JOCHJYFZSA-N 446.555 2.041 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](F)C1 1760247740 NDXZWYNZYDWGJG-SJORKVTESA-N 438.507 2.416 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1760529744 KIQGEKHZCOQMEM-QHCPKHFHSA-N 433.516 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760551395 DHZGBCHSVOYBGV-WOJBJXKFSA-N 441.557 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCO[C@@H](C)C1 1760558646 WAMWMOVJVYBGET-RCCFBDPRSA-N 440.610 2.413 30 10 IEEE C[C@@H]1C[C@@H](C)CN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1762725985 ZBGZBTMLKSUDFF-AQNXPRMDSA-N 443.596 2.001 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1764562645 FIRARJDFVOLDLT-NSHDSACASA-N 439.339 2.024 30 10 IEEE CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1766390590 QIJNOTYIOCCSBL-ICFOKQHNSA-N 448.325 2.029 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1768807350 HPIIFNSTUYSNCH-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC(=O)N1 1768994627 CLFGPPWXINOOJP-OAHLLOKOSA-N 446.353 2.455 30 10 IEEE CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1770563575 DAHNEOBDDOHCQL-UHFFFAOYSA-N 442.593 2.153 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCc2nccc(C(F)(F)F)n2)C1 1771529634 RHRZFROUGFOUDC-KRWDZBQOSA-N 433.373 2.229 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772788766 GHSQROPCOSCYNG-ZVEHZALQSA-N 444.443 2.364 30 10 IEEE COc1ccc(-n2cc(CN3CCN(CC(=O)Nc4ccccc4C#N)CC3)nn2)cc1F 1851292383 HCGHJIOGJWIPGM-UHFFFAOYSA-N 449.490 2.043 30 10 IEEE CN1CCC(N2C[C@H](C(=O)Nc3c(-c4ccccc4)cnc4c(C#N)cnn34)CC2=O)CC1 1851816072 UVGOVIFDYJLTIO-QGZVFWFLSA-N 443.511 2.149 30 10 IEEE CN1CCN(CCCNC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CC1 1851879180 CDBHSJGKLFQLNP-XMMPIXPASA-N 445.567 2.399 30 10 IEEE C[C@@H](C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)c(C#N)cc1C#N)[C@@H]1CCOC1 1852908027 UIJJQFPWVOVRGX-IAGOWNOFSA-N 431.500 2.158 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1854453519 BOSHKSMTCIXXCW-UHFFFAOYSA-N 425.510 2.329 30 10 IEEE COc1ccc2c(c1)CC[C@H](C(=O)O[C@H]1CON(S(=O)(=O)c3ccccc3C#N)C1)C2 1855409243 XBWUPGFZJLJLPD-FXAWDEMLSA-N 442.493 2.220 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccc(Cl)cc2)C1)[C@H]1CCN(C)C1=O 1857045337 KSHFXBFHAHBYCC-APWZRJJASA-N 433.936 2.203 30 10 IEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N2CCOCC2)sc2c1CCC2 1858814115 OUTGLCYJGATAOX-UHFFFAOYSA-N 427.486 2.385 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2ccccc2F)c1=O 1861309133 ABPYOSAVCOFVIX-JOCHJYFZSA-N 449.482 2.385 30 10 IEEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868774709 OKYPMFGJJZJXNB-FUHWJXTLSA-N 432.590 2.150 30 10 IEEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCc2cnc[nH]2)CC1 1870349689 YZJAAXIZCXAXNW-UHFFFAOYSA-N 446.555 2.402 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H](O)C1 1879110223 WFSFEPJXJIYWAU-LBEPJEHYSA-N 446.353 2.020 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3nc4nccnc4cc3Br)C2)c1 1889758793 PAPUFNOLJALHHO-GFCCVEGCSA-N 425.246 2.347 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 2010225998 WBGYMDSXCKGWNE-RDPSFJRHSA-N 429.561 2.389 30 10 IEEE C=CCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 2053494121 LHNFHLNBGRWCPB-UHFFFAOYSA-N 428.539 2.227 30 10 IEEE N#Cc1c[nH]cnc1=NC(=O)c1cc(Br)ccc1I 2130062324 YFQPGVDNEDUUGD-UHFFFAOYSA-N 429.015 2.390 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)n1 2194178786 HHLOEUBLCNETSL-BZNIZROVSA-N 446.176 2.430 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2214618907 KQQMIRCQCUYRNN-WCXIOVBPSA-N 439.553 2.142 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2224093853 PMOAMIZLQOVTEH-UHFFFAOYSA-N 432.374 2.028 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229108058 RPCHDWBDINUFRU-GDBMZVCRSA-N 425.323 2.385 30 10 IEEE C[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247835719 PHTMRCWVDDPNMF-QWHCGFSZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)NC1CC(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248403378 DEGYWUFVCKSAPT-UHFFFAOYSA-N 437.371 2.362 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630472 KXBHMTKPYPXETR-CQSZACIVSA-N 436.362 2.426 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2255823466 VVKNWUNKVBFMTD-UHFFFAOYSA-N 435.330 2.085 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256624965 ZJMYEQCTFSBXFW-WMLDXEAASA-N 432.326 2.295 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256883545 XXRRGFPZRYVHBS-DGCLKSJQSA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2259344990 AWMXCNLMMZKUPH-PBHICJAKSA-N 431.342 2.414 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2266998963 VLHWGLJWJSZMDZ-IBGZPJMESA-N 437.349 2.012 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267098472 ZLRKNEWESGJOKH-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE COC1(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267103659 LPTXIBXBFFIOJD-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2267120233 HFPUJWSLEPARNQ-HOCLYGCPSA-N 448.373 2.235 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127393 QXNQBXXQQCJFBD-UHFFFAOYSA-N 443.353 2.025 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@]4(CCN(Cc5ccccc5)C4)C3)[nH]n2)OC1(C)C 2267136580 LEYIVCAVVQYZJB-DEOSSOPVSA-N 436.365 2.447 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140084 OGULWNCOAYYKKB-SQWLQELKSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@@H]21 2267144676 ZCVLRAQQYKUBGU-BPUTZDHNSA-N 446.357 2.227 30 10 IEEE CC[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1Cc1ccccc1 2267177444 NNQIKBYHRZNSRD-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267178724 GOFXPUZRMVMVQX-UHFFFAOYSA-N 441.312 2.251 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2267247065 WQCOOUHYMUVODB-QGZVFWFLSA-N 448.369 2.252 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267270111 JLKHZCLWEHAPNG-HUUCEWRRSA-N 449.332 2.458 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527648 KKNRMUDXEYMNTM-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267538643 VRCAGZFGRQBMEV-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1 2267599333 NQJHUVANGJFESE-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268607602 FLGRPESRKACSNQ-INIZCTEOSA-N 444.341 2.329 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646128 XJNSUACZGRYLMF-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccn2)C1=C(O)c1ccc(F)cc1 2296563432 ZQGMLLVMRUONCE-HXUWFJFHSA-N 425.460 2.365 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2315696764 ISWBJCIMACOYCQ-AEGPPILISA-N 449.382 2.428 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(C)ccc1O 2329035010 VUDLKLJOUSRCOE-HNNXBMFYSA-N 431.518 2.164 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1nc(Br)nn1CCOC 2382083629 HZCRKCXVUIIWLR-IAGOWNOFSA-N 439.354 2.472 30 10 IEEE COc1nc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc(N2CCOCC2)n1 252616676 KDKQYRIZAAUJRK-UHFFFAOYSA-N 425.405 2.331 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 323092639 YXMLFOWAHSMXHU-UHFFFAOYSA-N 447.704 2.005 30 10 IEEE CS(=O)(=O)Nc1cccc(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 438604187 CPYBYNWDLJOBBW-UHFFFAOYSA-N 428.514 2.374 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465480982 BSZRWVXYSCSFKY-XMSQKQJNSA-N 446.555 2.385 30 10 IEEE COc1cccc(-c2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)n(C)n2)c1 477053978 BXYCGDLHOPIMEE-CQSZACIVSA-N 439.497 2.273 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(CCO)[C@@H]2CCO[C@H]2C)cc1 483298898 WRKFMFOMJGMLIW-LAUBAEHRSA-N 426.517 2.385 30 10 IEEE COc1ccc([C@H](CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)NC(C)=O)cc1 486022260 YWDPQCWDWZIJHG-YADHBBJMSA-N 434.496 2.051 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl 486636717 FYNGKFMPHHGIKU-GOSISDBHSA-N 447.900 2.078 30 10 IEEE COCCN(Cc1scnc1C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 488875650 FYHAXFROSPZTKW-QGZVFWFLSA-N 441.513 2.203 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CC(F)(F)F)C(=O)C2)n(Cc2ccco2)c1C 512771681 ZIZTZDBZDAJSPW-UHFFFAOYSA-N 437.422 2.263 30 10 IEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccncc3)c2=O)c1 522110258 BTUSERPHEWXEIN-UHFFFAOYSA-N 444.516 2.125 30 10 IEEE Cn1c(=O)c2cc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)cnc2n(C)c1=O 537999051 ZSJOXMFTUOILHN-UHFFFAOYSA-N 425.448 2.101 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCC)CC1 555257083 CQFJOGIORBHVJC-UHFFFAOYSA-N 432.594 2.304 30 10 IEEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1cccc(S(N)(=O)=O)c1 558755233 KTSBFYAUXVHTIG-UHFFFAOYSA-N 430.873 2.121 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 582388278 ILQWGBPHRLTKGR-UHFFFAOYSA-N 431.562 2.090 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCCO2)n1 583369833 PZMSDEAPYRLGKR-IBGZPJMESA-N 430.516 2.421 30 10 IEEE O=C(NN1CCCCC1)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673586 JLVOUADSGLSKFC-CGYFSARPSA-N 433.468 2.152 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N(C)Cc3ccccc3)cc21 586315057 VCJSYBVSNIDWQI-WJOKGBTCSA-N 440.521 2.188 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)s1 604001367 BYOOFIFGDAYWCU-UHFFFAOYSA-N 434.546 2.168 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)nc1 609642895 GPOIYIYYPVKFFB-UHFFFAOYSA-N 443.529 2.073 30 10 IEEE Cc1nc(CN2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n[nH]1 609849586 XSHOUGNBYNAPOX-UHFFFAOYSA-N 427.578 2.462 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 610205667 OTAKIDJWNRPAFC-HYFFOGBASA-N 439.516 2.433 30 10 IEEE CCn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1C[C@@H]1CCCO1)CC2 619849974 CETSCLDUSJEJKO-IBGZPJMESA-N 431.500 2.135 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)s1 736586664 HBMRCJSCBYLSDO-CQSZACIVSA-N 431.583 2.280 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(=O)[nH]c21 754381035 ZLLQUTQPSATFGL-DKRLNXSXSA-N 440.504 2.290 30 10 IEEE C#CCN(C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 763294485 PALXZKVFXPXJFS-OKZBNKHCSA-N 426.579 2.309 30 10 IEEE Cc1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)c(=O)[nH]c1C 770681561 UJLWXERFXOLJTJ-ULJHMMPZSA-N 431.518 2.232 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 783011165 LDUZKNHOPNUNMW-MRXNPFEDSA-N 437.566 2.028 30 10 IEEE C#CCN1CCN(C(=O)CNc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CC1 789681152 PNLHNJXNJZLPTG-UHFFFAOYSA-N 430.524 2.308 30 10 IEEE C=CC[C@@]1(C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)CCCN1C(=O)OC(C)(C)C 791716853 OBEVWHBEAIGOGT-VGSWGCGISA-N 437.537 2.003 30 10 IEEE CCNc1ccc(S(=O)(=O)C(F)F)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 793395698 VPTDXHWPJYCDSC-UHFFFAOYSA-N 430.458 2.491 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)CC1 796916626 NDVMRVPOISNQQK-YLJYHZDGSA-N 432.521 2.440 30 10 IEEE Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1nccn1S(=O)(=O)N(C)C 814729026 XHCNAUKRVHHMLV-UHFFFAOYSA-N 442.526 2.167 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@@H]3CCCO3)C(=O)[C@]12C 1075950151 LUQKZWLXWNRWMZ-FPEXABQASA-N 427.453 2.337 30 10 IEEE O=C1C(=Nn2c(O)nnc2O)c2cc(Br)ccc2N1Cc1ccc(F)cc1 1084109194 IJTIDVLCFOTIFO-UHFFFAOYSA-N 432.209 2.390 30 10 IEEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc1 1084427094 WAOQEOMLJZKGNB-UHFFFAOYSA-N 440.489 2.063 30 10 IEEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1128902108 JJZRDLSLMHGKIL-FGTMMUONSA-N 426.473 2.001 30 10 IEEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1135347437 FKSJMEDJABVYDV-LBPRGKRZSA-N 438.855 2.230 30 10 IEEE C#CC1(O)CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1148406676 YFCTYWQBPJGYME-JOCHJYFZSA-N 438.549 2.097 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)CC1 1155873133 KFZIQGOLDLKOFJ-XLIONFOSSA-N 447.601 2.380 30 10 IEEE CCOCn1nc(C)c(C[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 1156591247 CCNHDHLEDQRWQJ-KSFYIVLOSA-N 437.544 2.462 30 10 IEEE C#C[C@H](NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C1CCOCC1 1192799573 ZOKYTRCNJUDYTF-WNSKOXEYSA-N 435.365 2.169 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCn3cc(Br)ccc3=O)C2)nc1 1251525153 RYOXNLIKFAYYHG-MRXNPFEDSA-N 445.321 2.164 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286321644 SUGBKWOHDZFTBZ-UHFFFAOYSA-N 435.576 2.278 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286347237 ITKFFYGHAWWWNF-LJQANCHMSA-N 426.565 2.308 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286397039 RFDFVUHVHYCCQT-NSISKUIASA-N 444.605 2.203 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCO1 1286504650 URAAESKITBCOCV-MRXNPFEDSA-N 448.618 2.220 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286781873 CVXHXJQSNJDGON-SFHVURJKSA-N 436.476 2.231 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C)c2)C1 1286799773 ACRVLTIICKIUCN-MJGOQNOKSA-N 433.578 2.221 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1286962010 YZOBBROAKHTUMY-IXDOHACOSA-N 446.577 2.441 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](OC)c1ccccc1 1292133269 HOQZBMCRJFANQE-MOPGFXCFSA-N 426.521 2.313 30 10 IEEE CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1295429233 IPFZPCMHGBGVRT-XUTLUUPISA-N 440.504 2.335 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1299675861 ZLXLRIIKJLCUDZ-HZMBPMFUSA-N 426.844 2.344 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1300325256 WQHFKUBDHNMZDX-MRXNPFEDSA-N 432.546 2.291 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300489148 JMLILFZVQWZEPT-GOSISDBHSA-N 425.514 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(OC)OC)c1 1300506703 XCYSBOZXZYTCNA-UHFFFAOYSA-N 444.495 2.338 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)CC 1300647649 HUSUNQQDXBTFIJ-IBGZPJMESA-N 449.552 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1300897365 PZXGKNATJRYVQE-GGPKGHCWSA-N 444.624 2.346 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300912786 LRHIWKRZUHWTPT-HZPDHXFCSA-N 444.502 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOC 1301483000 HECSDGIUROMMSP-UHFFFAOYSA-N 426.290 2.232 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1301520941 ULIPPQHOMVWTFG-OAHLLOKOSA-N 431.493 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1C(C)(C)C 1301595797 ANUQPTZDLDEVGR-AWEZNQCLSA-N 437.532 2.249 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1COCCO1 1302117096 DNTMNXCKUPVAOH-KCLUMXDGSA-N 441.532 2.161 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1302264284 RCLYNCACZNGPBJ-UHFFFAOYSA-N 439.520 2.058 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CN(CC(C)C)CCO2)n1 1304747681 DFKFEWIAUXAGAD-NRFANRHFSA-N 440.596 2.237 30 10 IEEE CCCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306688683 UGXQEVWLBVOMKW-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE C=CC[C@@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1309390743 MPVYGQVYBADDRK-RTBURBONSA-N 438.546 2.462 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1313992907 BXFQEWNSEFHZLX-UHFFFAOYSA-N 430.516 2.306 30 10 IEEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1316309120 AAXQSFMPHBLVOH-KRWDZBQOSA-N 449.515 2.395 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCc2nnc3n2CCCCC3)c1 1358903301 RGSHKBPARZPOQM-UHFFFAOYSA-N 446.559 2.457 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCS1(=O)=O 1358954174 XURSCAUAADGAEC-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358957896 CIHQSKUWZUFKIK-PMACEKPBSA-N 441.557 2.114 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1358963967 QPUGUQUBNPSLCO-QGZVFWFLSA-N 444.557 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCN1S(C)(=O)=O 1358972508 HOTALLNRROASCQ-GOSISDBHSA-N 437.525 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(COC)CCOCC1 1358996005 OCBYNAAKMRMACC-UHFFFAOYSA-N 446.555 2.423 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCn2ccnc2C1 1359020072 QJKCVCSZOIZMCM-KRWDZBQOSA-N 435.488 2.398 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCCN2CCN(CC)CC2)CC1 1359032243 HIBSRBKXWUJHIS-UHFFFAOYSA-N 439.608 2.019 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)NC1CC1 1359073428 OXWCGBSWIXHFLN-JOCHJYFZSA-N 440.573 2.321 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCCC1 1359275813 HIAKMARAGANTDS-UHFFFAOYSA-N 440.548 2.388 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(C)C)CC1 1359303651 WJMNYWXMIZTUGF-UHFFFAOYSA-N 440.592 2.295 30 10 IEEE C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1450566814 ZUMVZMDLZZHFOC-HNNXBMFYSA-N 438.550 2.036 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1462999900 SWNYHDBQMCCJFR-FIKGOQFSSA-N 433.530 2.039 30 10 IEEE CC#CC[C@H](CO)NC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1477317472 UMGYGIBWGLUBKS-GOSISDBHSA-N 426.483 2.291 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(OC)c(Br)c2)C1 1479311926 CPZKCWZJHOJHII-IRXDYDNUSA-N 438.366 2.006 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1494621784 IKGWWCGCFCAMOY-KKSFZXQISA-N 429.546 2.476 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)OC 1497386055 SQMRBOMTLUTHHA-KBAYOESNSA-N 427.461 2.268 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1ccc(C)n(C)c1=O 1503122135 HGEGMZUIGJMVRH-NRFANRHFSA-N 448.527 2.320 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)c1 1504323063 ULNAUGZBXVRTGT-SJLPKXTDSA-N 426.521 2.349 30 10 IEEE COc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N(C)C 1504405856 ULZRPUNKUBDNSE-MRXNPFEDSA-N 447.543 2.363 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncn(-c2ccccc2)n1 1504966067 QYGCIOVUDPALPO-KKSFZXQISA-N 440.483 2.073 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCCNC(=O)C2CCC2)cc1 1505318035 DVFXJTBIWZSVLE-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)Cc1ccccc1 1507515779 ZQPDYKAXDPZIES-KRWDZBQOSA-N 431.500 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1507531727 CSLXORNGADWUIO-INIZCTEOSA-N 430.516 2.476 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507576284 LAVDDQUPLBIIAB-HNNXBMFYSA-N 427.505 2.051 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1507619164 WRHXSCCRGWUVNW-INIZCTEOSA-N 431.924 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N[C@@H](C)CC 1507671206 FSPJUGMSSNVKJZ-IBGZPJMESA-N 431.544 2.284 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507778461 QKWWIWYCVYBBFQ-CQSZACIVSA-N 449.265 2.403 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H]1CC 1507802233 AIWKLDJWOIDFFD-WKULXVSPSA-N 425.599 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507806135 RITIOKJJWZUPAI-DYXWJJEUSA-N 445.589 2.259 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1507863392 DWKLLGXOCNPQAS-MRXNPFEDSA-N 432.912 2.154 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507937074 OZDWSSCIQNXWSW-HNNXBMFYSA-N 430.940 2.495 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1507969775 GYBREPHPICHTEE-SFHVURJKSA-N 441.458 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCOC1 1508129824 CWWZSFMJHXZCRI-HZPDHXFCSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1508144723 XXVAIDDWKIWODC-UHFFFAOYSA-N 433.553 2.297 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1508147430 KHBZDHSQCXRLFJ-LJQANCHMSA-N 439.626 2.287 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508388804 CEPJZDQJVPJNOZ-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1516971896 FBDOJYHFKBDWOX-IBGZPJMESA-N 448.531 2.064 30 10 IEEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)CCC1 1535862810 PSQYBXRJFPBZLC-UHFFFAOYSA-N 432.542 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 1536927945 HCAJNMVPTSYNMH-UHFFFAOYSA-N 437.418 2.005 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1539015443 QFUSFGCEYOXEAM-SJLPKXTDSA-N 443.573 2.425 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1539052012 AZXPRLUJSCRACU-APWZRJJASA-N 449.552 2.409 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539219944 GDYIYRZRQLAXNF-HXUWFJFHSA-N 433.622 2.438 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H]2COCCO2)CC1 1539460187 ZNDDRXRYUJNFLK-NRFANRHFSA-N 439.560 2.035 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CN(CC(C)C)CCO1 1539539001 NVALNBHGZNHQLX-TXTKFYIRSA-N 433.597 2.351 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1540877810 GVHIPEUXVADZOU-UHFFFAOYSA-N 436.516 2.181 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnnn3-c3ccccc3)C2)C1 1542366515 QGDKIGPPZQFJOT-JXORXQGFSA-N 437.504 2.065 30 10 IEEE COCCNC(=O)[C@@H]1CN(C(=O)C2CCC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367644 BYISQEODXZLXES-SFHVURJKSA-N 438.450 2.157 30 10 IEEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1560136202 NFBSCPXEMODWNU-LJQANCHMSA-N 425.554 2.018 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1569724728 DNSRKYMSOGGWHK-SFHVURJKSA-N 429.542 2.374 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCCN3C(=O)c4ccccc4C3=O)cc2C1=O 1585655248 ONGPZBNNBYIUHJ-UHFFFAOYSA-N 431.448 2.227 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1587316766 CQXFZKJVTVBCGG-LEWJYISDSA-N 441.576 2.210 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588059039 HYFHLHJECSMPTH-NSISKUIASA-N 446.548 2.060 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)nc1 1588124066 CLXIRCMQJNOSNC-UHFFFAOYSA-N 433.541 2.063 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@H]1C 1588386206 NWQALTMASXHHCJ-GAJHUEQPSA-N 447.580 2.392 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCn2cc(Br)cn2)CC1 1588836569 LQXRRLJVLZBRLD-UHFFFAOYSA-N 434.386 2.281 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N[C@@H](C)CC)CC1 1588848359 CZHMDUDSMATRGH-SFHVURJKSA-N 426.540 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOC)CC1 1588913491 KUOWXWAMAYRVGN-UHFFFAOYSA-N 434.544 2.439 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1589053810 UWCASRPMJGJKIB-UHFFFAOYSA-N 449.577 2.172 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCNS(C)(=O)=O 1593840484 ICOJGJRZPZLXCO-UHFFFAOYSA-N 434.349 2.345 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594819438 CPFIHVWRSNKZSS-FPOVZHCZSA-N 446.640 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1595785196 UHTHIRUREPQNEW-IBGZPJMESA-N 440.573 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccccc1F 1595824248 ZXALGMMZKCCOHJ-MRXNPFEDSA-N 449.552 2.338 30 10 IEEE CC(C)NC(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1609522104 AHKUPOYKZQRDKZ-CRAIPNDOSA-N 430.484 2.201 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccon1)N1CCOCC1 1611598817 DELMWONFSXUYGB-KRWDZBQOSA-N 437.504 2.074 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](O)COc3ccc(F)cc3)C2)C1 1622497986 VSAOZQGRLZADRJ-UDCJOXCSSA-N 447.507 2.468 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cccc(SCC#N)c1 1627402418 UEYOEVIQUDHRRC-UHFFFAOYSA-N 434.499 2.261 30 10 IEEE C=C1CN(C(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)C1 1632670294 ZQFRMLAUHCJEAE-UHFFFAOYSA-N 438.141 2.278 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CCCN(O)C3=O)C2)c2ccccc12 1637667737 ILKLWXXFQWARSP-KXBFYZLASA-N 425.485 2.197 30 10 IEEE CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NCC#CCO)cc1 1637898682 JVNOPBUXWFRLQX-PMACEKPBSA-N 431.533 2.473 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4ncc(C#N)cc4F)CC[C@@H]32)CC1 1640028888 DPWXWQHLNLUABX-MSOLQXFVSA-N 444.511 2.464 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1640795069 WKMHBYTVCRKHKG-ICSRJNTNSA-N 434.583 2.130 30 10 IEEE CN(C)CC#CCNC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 1642510578 VGGIHLNTQSYYME-UHFFFAOYSA-N 435.366 2.242 30 10 IEEE C=CCCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1642533546 HRVPGKVZVMVXFN-UHFFFAOYSA-N 437.562 2.047 30 10 IEEE CC(C)CN(C[C@@H](O)CC1(C#N)CCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1657605885 IHOMBINEOPRXFK-SFHVURJKSA-N 425.533 2.487 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 1662343076 BYVFQWYRSYXOHQ-NSHDSACASA-N 440.241 2.152 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1681176023 CLWYLZHHAMNWBO-UHFFFAOYSA-N 435.546 2.168 30 10 IEEE C=CCOCCCNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1681793345 CDHIMWLMTHEJLU-HNNXBMFYSA-N 438.491 2.362 30 10 IEEE COC[C@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCOCC1 1683970679 MKZWMVZHCZIDKR-KRWDZBQOSA-N 429.477 2.079 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(c2ccccc2)CCN(C)CC1 1684761977 WREFUMIFZWABPJ-IBGZPJMESA-N 433.560 2.232 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1689910421 GMSRDHXGCKGBBO-UHFFFAOYSA-N 435.532 2.320 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1689933390 LZIQXFABYSMIOU-UHFFFAOYSA-N 447.543 2.416 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCN1CCC 1690008882 RGBCYYJXYHDNJF-QFIPXVFZSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1690047693 XBNNYJFJKNXUOD-IBGZPJMESA-N 449.536 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(C)=O)CC1 1690137547 CIGZOBBHUPLVOP-UHFFFAOYSA-N 442.951 2.091 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCOCC2CCOCC2)CC1 1690144198 PCWGCFLUCNREAT-UHFFFAOYSA-N 443.592 2.345 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1690246434 UMIFFZLTTLIAGV-MWOZMSIYSA-N 426.558 2.346 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690315691 JUYVXXUCVVCPHP-IBGZPJMESA-N 428.512 2.157 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690507842 YIZZKCJYHZRLKL-SFHVURJKSA-N 441.532 2.402 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC#N)CC1 1696478185 XCKSCKDRXCVADC-UHFFFAOYSA-N 432.506 2.418 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1697703543 LLPPSGOGPLHJBL-RTBURBONSA-N 439.564 2.220 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705493047 BJXFHOLSFZQTNO-TYPHKJRUSA-N 436.560 2.069 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(S(C)(=O)=O)CC1 1705592516 YVLPEDGTTFHZEG-UHFFFAOYSA-N 448.552 2.375 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1705617646 CGWDDQKDWMYGCW-KRWDZBQOSA-N 430.553 2.336 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705636189 AUFWLYWDYHWVHQ-OALUTQOASA-N 439.560 2.390 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705644434 QODSEJSPWDHGBS-KDURUIRLSA-N 444.624 2.255 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705662496 AFZLGIXJHUILOK-HXUWFJFHSA-N 437.573 2.425 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705665732 CAJUKDSKWRZKPZ-ROUUACIJSA-N 444.513 2.346 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCCOCC)C1 1705704424 UEZMZGMYAQDWLL-YSIASYRMSA-N 430.553 2.292 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705846219 WCHQDMOGDGQKDI-UHFFFAOYSA-N 431.544 2.235 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1705909260 RONUXPXILJKCGO-FXAWDEMLSA-N 440.548 2.156 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cn3cccn3)cc2)C1 1705914245 JXIKAJSVZPZPED-OAQYLSRUSA-N 449.559 2.491 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1706165245 CBPUMKFIUGCQMQ-CYBMUJFWSA-N 437.451 2.162 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706248903 DOFVPDLBJZPJOG-DEOSSOPVSA-N 446.559 2.264 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1711052123 JNKDEIGZNWMRBI-DEOSSOPVSA-N 449.559 2.179 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1711350733 BKWPETJZLAYFDI-HKBQPEDESA-N 440.573 2.080 30 10 IEEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1711543014 FXSDFDOWBYDJPZ-HOCLYGCPSA-N 426.587 2.079 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1711560902 CJKMYTFXYGJFBI-AZUAARDMSA-N 437.548 2.098 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCO3)n2CCOCC(F)F)CC1 1712881752 HRTFXOJEQYUVBN-MRXNPFEDSA-N 433.463 2.005 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1722361741 OXBLTWJIZJBIAL-QFBILLFUSA-N 439.541 2.002 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CC)c1 1722388958 BYNFIVXFDABNTB-UHFFFAOYSA-N 436.541 2.076 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1722428201 XIZLQBANCJRILK-XXBNENTESA-N 428.533 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@H](F)C2)CC1 1722453295 QWHCPBYUDIOASO-GTAWCEEGSA-N 447.555 2.106 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1722667687 HUBZTEVCMCFDBD-OAQYLSRUSA-N 432.546 2.333 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1724009067 BLOPKSMMKYJMKK-HXUWFJFHSA-N 447.565 2.173 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1 1727477175 IWZVNGPAKUHGMP-YCRPNKLZSA-N 433.532 2.351 30 10 IEEE CCOCc1nnc(N2CC3(CCC3)C[C@@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1729005293 XWQAFCIXEWJHCA-JVMRMLDLSA-N 428.537 2.500 30 10 IEEE CS(=O)(=O)CCCCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1731002842 GUZFVWMRDOUWIB-IBGZPJMESA-N 434.610 2.327 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1731134961 ABBGRRUCOPLCTN-GOSISDBHSA-N 428.562 2.003 30 10 IEEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)o1 1731184236 FPXCVOCTZXTNFF-AWEZNQCLSA-N 428.250 2.277 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740572962 DGIDAJMAUDKTCX-UHFFFAOYSA-N 433.553 2.330 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCCS(C)(=O)=O 1740607358 NNABEYPGXCLJHT-UHFFFAOYSA-N 426.546 2.415 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740773405 YZIVLFKHNYFRBS-NRFANRHFSA-N 429.546 2.378 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@@H]1C 1740893679 SDMXLPMSJLDKAF-KKSFZXQISA-N 433.578 2.369 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](OCCC)CC1 1740991661 AYSFSPZRFPAOIM-ROUUACIJSA-N 426.583 2.168 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1741075349 UHKSYFZNFPHVPQ-NRFANRHFSA-N 449.559 2.228 30 10 IEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cs1 1742128248 IKMJTWOBFKZCLN-UHFFFAOYSA-N 442.570 2.317 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CCCC4)n3CCCCCO)CC2)c1C#N 1742669707 PTOOQARMANWVAT-UHFFFAOYSA-N 426.569 2.339 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1746434900 CVKBDSRGTLPMGM-IBGZPJMESA-N 447.591 2.213 30 10 IEEE CN(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)C1CC1 1747547213 BICOEGQZNCCMNC-NVXWUHKLSA-N 448.369 2.115 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1F 1748640476 VQGVNUAPFFLBPE-HUUCEWRRSA-N 439.582 2.419 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1748730992 XLQNJIIHELKHSF-GOSISDBHSA-N 437.548 2.028 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](CCOC)C1 1748735854 UJUUGYGEWBMFME-SFHVURJKSA-N 445.589 2.472 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1748736335 YNRFLQDTBPZPOI-JOCHJYFZSA-N 443.573 2.226 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805421 ROQCVTDOGXOLNB-HKUYNNGSSA-N 443.573 2.447 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1748994015 UFTLTJSSZLQUIN-QFIPXVFZSA-N 441.668 2.040 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCOC2CCOCC2)CC1 1748994314 DJYPLRGREQKPHD-UHFFFAOYSA-N 437.588 2.404 30 10 IEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC(N)=O 1749022871 IHDKBIBAWWFQJF-LBPRGKRZSA-N 439.383 2.113 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1749115202 NGJNVKODYUUKJH-AZUAARDMSA-N 439.564 2.119 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749282317 XKCXJKBUSQXIMQ-GHTZIAJQSA-N 439.988 2.230 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(OCC)cc2C1 1749735492 UYSQNPWVFJGRLC-GOSISDBHSA-N 446.573 2.344 30 10 IEEE Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)n1 1751860663 HRIRCYFKRCAUGJ-HXUWFJFHSA-N 435.532 2.306 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1752227249 LGYSMSHUOSLVFE-LZICOFPGSA-N 438.536 2.077 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccn(CC)c1=O 1760115035 XQYUTHFEMVZBOI-HNNXBMFYSA-N 429.484 2.282 30 10 IEEE C#CCCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760159297 BPUAFMOMKQZHQY-XXBNENTESA-N 431.581 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)c1ccccc1 1760210529 SLQGJOHAVQVBJQ-MRXNPFEDSA-N 435.500 2.143 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn2ccccc12 1760244399 TWIIHJBRYBLEBB-QHCPKHFHSA-N 438.532 2.101 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC=CCC2)CC1 1760264667 BHKDSTUIKMKBIE-SFHVURJKSA-N 447.543 2.248 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760279131 SEUWZOVXHJCNEP-UHFFFAOYSA-N 441.605 2.378 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCCS(C)(=O)=O 1760291802 CWUXVBQVYWISJA-OAQYLSRUSA-N 432.546 2.389 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1760361981 XWOWUMVRNUJCOV-XXBNENTESA-N 447.580 2.114 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760566172 NOLXUYZLQGOMFC-DLBZAZTESA-N 440.635 2.231 30 10 IEEE C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1761417927 XDDFBNJQLVUWOB-OAHLLOKOSA-N 435.507 2.493 30 10 IEEE CN(C)CCOCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1768520500 QMTMNAHURGCLEB-UHFFFAOYSA-N 427.528 2.071 30 10 IEEE CO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1769595097 JEUXKECFFGSHCL-YVEFUNNKSA-N 441.389 2.335 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1csc(C)n1 1771219735 RIQPVWPLYLPDAU-BEFAXECRSA-N 445.593 2.186 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C[C@@H]1F 1771496556 BGSFKKIIKVHCAZ-QAPCUYQASA-N 428.468 2.365 30 10 IEEE COc1ccc(Cn2cc(C(=O)NCC3CCN(c4ncccc4C#N)CC3)nn2)cc1 1850101790 PMPVZSUKMWUVHS-UHFFFAOYSA-N 431.500 2.248 30 10 IEEE Cc1cc(NC(=O)C2CCN(c3ccccc3C#N)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 1852983695 QUIDTINBKQGJND-GOSISDBHSA-N 427.530 2.278 30 10 IEEE CC[N+]1(C)CCC(N(CCn2nnc3ccccc3c2=O)C(=O)c2ccc(C#N)cc2)CC1 1853438851 ZZLVDNYITSNQEH-UHFFFAOYSA-N 445.547 2.434 30 10 IEEE CC(C)[C@@H](Cc1ccccc1Br)C(=O)O[C@H]1CON(S(=O)(=O)CC#N)C1 1853893276 UGZKXCXBVAMAEQ-HUUCEWRRSA-N 445.335 2.276 30 10 IEEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCCC[C@H](N(C)CCC#N)C2=O)cc1 1856388876 FMILYUOGHIISEO-IBGZPJMESA-N 435.546 2.002 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)ccc1O 1862630070 LSCVSWRRNKPTFR-FQEVSTJZSA-N 440.452 2.269 30 10 IEEE N#Cc1cc(Br)c(NC(=O)c2cnc3nc[nH]n3c2=O)c(Br)c1 1866070473 DWKXBCOWDYEPDI-UHFFFAOYSA-N 438.039 2.067 30 10 IEEE CCc1nc([C@H](C#N)C(=O)CN2CCN(c3ccccc3OC)CC2)sc1C(=O)OC 1872796292 TYIJPYMKQBNOCG-OAHLLOKOSA-N 442.541 2.499 30 10 IEEE COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874484623 FJQLJVOGSYDZGK-DJKKODMXSA-N 435.462 2.402 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)CC1 1889434318 XFXSZTYAIIEXAU-UHFFFAOYSA-N 439.600 2.201 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(-c4cccnc4)c3)CC2)CC1 1889584407 JVXSXHFBRFQBFG-UHFFFAOYSA-N 447.583 2.406 30 10 IEEE CN(C)CC#CC1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 1889664927 PFZDPKDHBBYKKM-VXKWHMMOSA-N 426.586 2.033 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCC3(OCCO)CCSCC3)n[nH]2)c1C 1890579284 PJVCKMBPOKPZPZ-UHFFFAOYSA-N 433.578 2.471 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2csc3ncnn23)[C@H]1c1ccc(C#N)cc1 1892145556 ZLTUZMFHMLUOCM-MSOLQXFVSA-N 440.554 2.372 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2009819650 LZZWANYWFFXGRB-GBXCKJPGSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060634175 WNMQSAJIICZOKS-SJORKVTESA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2067678966 NDFZJBDFOWEKKI-RNGZQALNSA-N 436.358 2.467 30 10 IEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124534662 JCRFAMJUNPOQFE-GOSISDBHSA-N 447.385 2.404 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1 2178408532 YGLVJOHCEXCDFI-UHFFFAOYSA-N 442.144 2.283 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229107699 NFUXAGISKFCRDQ-GDBMZVCRSA-N 425.323 2.385 30 10 IEEE CN(CCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243669385 VBEDTVRYENFFPZ-UHFFFAOYSA-N 425.360 2.316 30 10 IEEE C[C@@H](NS(=O)(=O)N(C)Cc1ccccc1)c1nscc1B1OC(C)(C)C(C)(C)O1 2243687194 VSWMAOWBPYDPQY-CQSZACIVSA-N 437.396 2.470 30 10 IEEE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255636825 ABYRYJGWPATWNG-SFHVURJKSA-N 427.354 2.441 30 10 IEEE CCC[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255655854 RWXFBOZGVMHXRV-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255819299 YVAXSLAJAZQRGM-IUODEOHRSA-N 435.305 2.163 30 10 IEEE COCCN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)OC(C)(C)C 2255849051 JUZPLHCEBBPTMR-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2255860886 IGHRIDQUUIPSEO-INIZCTEOSA-N 431.342 2.230 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256676792 QRQNNRUCYLFSJP-OAHLLOKOSA-N 438.305 2.339 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009653 NPDSLKGSNSCTPR-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267091255 HWHITCPEHUODEK-JOCHJYFZSA-N 446.357 2.182 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267139555 IBFJNKBWJZBHNR-ZFWWWQNUSA-N 448.373 2.378 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C 2267159466 QXEKCLYOCAJDNX-PKOBYXMFSA-N 438.381 2.421 30 10 IEEE CC1(C)OB(c2cncc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2267281557 WAOIGDIYKIJXAY-OAQYLSRUSA-N 437.349 2.012 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2267497165 JSGJZNMETQDRPQ-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)n1 2267506402 XKRNTFBSJDNXHB-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE CC1(C2CCN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)CC2)OCCO1 2282338189 PSUSNXVCDCIUQN-UHFFFAOYSA-N 443.396 2.211 30 10 IEEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2296295939 IOEZHOPCRJDIQQ-HLIPFELVSA-N 439.350 2.433 30 10 IEEE CO[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2322309529 TXVZOCWXCBRUNW-JKSUJKDBSA-N 437.321 2.248 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)n1 2337025149 IFHWGVGMNXZDMO-OKZBNKHCSA-N 445.369 2.418 30 10 IEEE Cc1c(F)cccc1NC(=O)CSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20920598 JOPRQAHPLODKES-QPSGOUHRSA-N 431.501 2.394 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 27394005 VKNZALCGZJHFNO-MRXNPFEDSA-N 446.529 2.247 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)c1=O 101350969 PYPLVQNKKNUQGV-UHFFFAOYSA-N 447.904 2.389 30 10 IEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)c1 102740663 YTJKWDBXXUPMNZ-LCPUNJGISA-N 442.516 2.417 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)c1OC 102752126 SNRROIZPINBLII-LYHOESIGSA-N 428.489 2.027 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cc21 427369390 GAKQNBRBUCGOCD-UHFFFAOYSA-N 449.898 2.351 30 10 IEEE Cc1n[nH]cc1-c1nnc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 445005992 STEOYBVEUJJZSU-UHFFFAOYSA-N 436.501 2.991 30 10 IEEE CN1CCN(Cc2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2)CC1 462099566 YGNJEGCIIVNYLP-UHFFFAOYSA-N 430.516 2.208 30 10 IEEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 476798301 UIRILKFMFMVMDS-FQEVSTJZSA-N 448.479 2.185 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1C 478753303 KKBKWRMEIBPIAX-UHFFFAOYSA-N 449.580 2.404 30 10 IEEE CNC(=O)C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 483422730 RJTJGDJMEUCTTO-YADHBBJMSA-N 437.519 2.002 30 10 IEEE COCCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1CCOC1 490054700 NPBHFFUWLHBJRY-ROUUACIJSA-N 430.549 2.093 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)ccc1F 497971044 YIGLYHYHVFVWMP-INIZCTEOSA-N 438.278 2.322 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508746967 MCCINQZWZJTEDE-AWEZNQCLSA-N 436.534 2.028 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 508825760 LJYXQYFIJALMRD-HKUYNNGSSA-N 431.562 2.099 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3)c2=O)oc1C 523652364 SDPNDFZFRALHRY-UHFFFAOYSA-N 448.500 2.459 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 533480343 SVNKMTPSEFTZLL-HNNXBMFYSA-N 438.440 2.097 30 10 IEEE Cc1cn2c(=O)c(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cnc2s1 537854637 YSKGYWDNTLBHJE-OAHLLOKOSA-N 425.495 2.090 30 10 IEEE COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 556736313 FNHLFBACJYZEJS-IBGZPJMESA-N 429.498 2.217 30 10 IEEE COC(=O)c1cc(I)cc(NS(=O)(=O)c2ccc(C#N)o2)c1 571437181 SBTIQDSPPCJDKR-UHFFFAOYSA-N 432.195 2.343 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(F)c1 586859097 RYLATVYDOIUFNE-UHFFFAOYSA-N 446.841 2.091 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1C[C@@H]1CCCO1 603798185 JLMCMHNIQILKHH-IBGZPJMESA-N 439.581 2.240 30 10 IEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)c1C 728557361 KXNXMSCNZJQAGF-UHFFFAOYSA-N 446.576 2.427 30 10 IEEE COc1cc(F)ccc1N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 734476434 QLVGEEBDIMHRJM-QHCPKHFHSA-N 437.475 2.253 30 10 IEEE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 744792567 GASLWAOMVARTLU-UISNHOIMSA-N 441.594 2.443 30 10 IEEE COc1ccc([C@H](CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)NC(C)=O)cc1 757576988 AXBUIUVQJKTJBI-NEWSRXKRSA-N 430.505 2.138 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CCCCC(C)(C)C#N)CC1 769747147 PTCXQHVYEUIZHM-UHFFFAOYSA-N 441.619 2.425 30 10 IEEE CCn1nccc1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 769851844 DFZVDYSKVJFGMX-HEHNFIMWSA-N 439.563 2.297 30 10 IEEE COc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCCC1 780848922 SDMYRBCQTKWRMA-HXUWFJFHSA-N 429.498 2.414 30 10 IEEE C#CCN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 783355201 HVSODXXMWVEGRO-KRWDZBQOSA-N 428.466 2.436 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1C#N 787281998 ZEPTWMTVTRLNCM-UHFFFAOYSA-N 430.464 2.473 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)n1 788928105 DKVCBNMPCKPRAC-UHFFFAOYSA-N 426.517 2.423 30 10 IEEE COCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1 790142671 BCRLCVQJDIAXBO-UHFFFAOYSA-N 434.474 2.078 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@](C)(O)Cn1ccccc1=O 790683294 CXKQHSCVDBIOEZ-BTYIYWSLSA-N 429.498 2.175 30 10 IEEE C[C@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 790689604 ZOBXYLFPQVNJKF-RCDICMHDSA-N 443.525 2.372 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccn(C)c2)c1=O 794585706 VHRJUDHPAYTGKY-SFHVURJKSA-N 433.533 2.045 30 10 IEEE COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 802379684 UCZALANMEZYZAD-UHFFFAOYSA-N 447.499 2.491 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)cc1C#N 806207855 XBMTVBNKCULHSR-UHFFFAOYSA-N 430.574 2.051 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)OCC3(C#N)COC3)cc2)cc1 811045634 HKIBDDLZPDKHRX-UHFFFAOYSA-N 428.466 2.065 30 10 IEEE C#CCN(C)c1cnc(-c2noc([C@@H]3CCC(=O)N(CCC)[C@H]3c3cncn3C)n2)cn1 813343327 LEXQCWQZHKBEGB-FOIQADDNSA-N 434.504 2.187 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3ccccc3-c3ccnn3C)c2=O)c1 814250784 YYCZUHPTCTWQOF-UHFFFAOYSA-N 433.496 2.307 30 10 IEEE CO[C@@H]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 815381963 WRBOOJOOFGPZJG-NVXWUHKLSA-N 442.472 2.203 30 10 IEEE C=CCn1c(=C(C#N)S(=O)(=O)c2ccc(C)cc2)sc(=Cc2ccc(F)cc2)c1=O 1084274132 KGFJRBZLDGDZJS-UHFFFAOYSA-N 440.521 2.478 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)ccc1F 1133434343 QECVRWNACGMZMA-KRWDZBQOSA-N 440.537 2.386 30 10 IEEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)c1ccccc1 1135775864 PIZPGAVUHRFLDE-QGZVFWFLSA-N 434.539 2.337 30 10 IEEE C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1150671549 HNBMRENGCJHCNZ-KBXCAEBGSA-N 435.546 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1(CO)CCOCC1 1151738915 OASDEPMXHXKBQB-LJQANCHMSA-N 429.517 2.298 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1166257285 GPCCVZBDBIQWRH-QGZVFWFLSA-N 431.537 2.241 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1171272494 XVLCXXOTUSFTDC-UHFFFAOYSA-N 431.489 2.431 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)C(=O)OC 1193581118 ILSRGNLEPLEGKE-HNNXBMFYSA-N 436.452 2.084 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1195462834 DZFRACTZGCHEFP-LJQANCHMSA-N 429.586 2.486 30 10 IEEE C#CC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1 1196429793 PYFOIRMDORYLDU-UHFFFAOYSA-N 433.574 2.038 30 10 IEEE COc1ccc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(Cl)c1OC 1228973280 CABCEOJKQNQSQS-AWEZNQCLSA-N 444.923 2.482 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCOC 1286423412 UCMJZRYSUNYTQB-UHFFFAOYSA-N 442.589 2.436 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@@H](C)[C@H](C)O3)CC1 1286470264 WAXKAOOMZFDKGE-ROUUACIJSA-N 436.560 2.104 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1286475619 CUUILJVDPBSRPF-UHFFFAOYSA-N 445.571 2.221 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1286480928 RCCDZRJBRNVOMO-MRXNPFEDSA-N 435.450 2.326 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286508374 LAMXMJSJKFHPIV-OAHLLOKOSA-N 445.511 2.315 30 10 IEEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286629622 GYCQVBAKJYKGSM-INIZCTEOSA-N 427.933 2.279 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1288704638 CVHLZPRUKOYXBT-LJQANCHMSA-N 434.548 2.118 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1292703638 KRBAVQCWQWPDIB-WMZOPIPTSA-N 430.553 2.440 30 10 IEEE CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CCC1 1296263154 GXFXMCSYEINPAO-UHFFFAOYSA-N 439.539 2.484 30 10 IEEE C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)n1cnc(C#N)n1 1300154741 UGRWZVJBWQQKSP-QBPKDAKJSA-N 432.525 2.164 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1300308238 NSGLKZWCIOJZQK-FUHWJXTLSA-N 446.573 2.484 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1300421352 CNQBQRUHYIIFEG-UHFFFAOYSA-N 438.576 2.145 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300499761 WOXUVZHRYYUWBT-OAHLLOKOSA-N 430.427 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1300505521 CGOONZVEQGXFGS-JOCHJYFZSA-N 448.571 2.335 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCO[C@H]1C(C)C 1300650713 WCDRCGCPOBOUOU-QUCCMNQESA-N 440.548 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC)c(OC)c2)CC1 1300711230 UFTAXRYIHRWMJJ-HXUWFJFHSA-N 425.533 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1300726815 RQQPBMRZEISJSS-HOYKHHGWSA-N 438.576 2.027 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCOCC1 1301411166 SZXDJMZKJKHYLN-LJQANCHMSA-N 429.521 2.207 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1302443180 JHFGINRFUSAORX-QFIPXVFZSA-N 438.511 2.121 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1303492286 CZZGXTWEBUCBJO-FCHUYYIVSA-N 433.553 2.254 30 10 IEEE O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252781 PPLXTARNZMVWQG-KHUVANEUSA-N 434.287 2.217 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2nccc(C(F)(F)F)n2)cn1 1314898588 CRPSDTMUPNNJOK-KRWDZBQOSA-N 435.389 2.172 30 10 IEEE COc1ccc(OC)c(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)c1 1315516547 DODDHIOIYLXVIO-QAPCUYQASA-N 426.521 2.475 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1315827042 WJYSOYBSPJTTDN-HKUYNNGSSA-N 439.495 2.441 30 10 IEEE COCCn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1316112609 PULRKQFBDGOUQK-REWPJTCUSA-N 441.532 2.415 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1316339575 OVRNIWAAPJQNJM-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE N#C[C@H]1CN(c2nnc(Cn3ccc4ccccc43)n2C[C@H]2CCOC2)CCN1C1CC1 1329603928 SINZZMMFZBBKMN-NQIIRXRSSA-N 431.544 2.494 30 10 IEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358955230 ICFPDXQGNXJSIP-QGZVFWFLSA-N 435.594 2.013 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1358963087 BLYWBPKFUYOALB-NHCUHLMSSA-N 444.601 2.361 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1c(F)cccc1F)N(C)C 1359024577 PYWIPRRTMCAXGD-VQIMIIECSA-N 433.503 2.449 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)CCCO3)CC1 1359029661 DMSNSBNPBMZBPP-IBGZPJMESA-N 439.560 2.131 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(N(C)C)CCOCC2)CC1 1359037130 WSSWJJIQUWHALH-UHFFFAOYSA-N 436.604 2.043 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359057284 WLTPHRHWZCGVAX-MOPGFXCFSA-N 446.621 2.121 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)CC1 1359165606 SFTHXQHJRNZHBF-SFHVURJKSA-N 435.550 2.026 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359304596 CGGVQVSXKBKXQG-SJLPKXTDSA-N 444.967 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1359331947 LBNRWYFPDHJJQU-RBUKOAKNSA-N 437.610 2.185 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(C)CN(C)C1=O 1359849557 LMWIGPCPEDMHOI-QHCPKHFHSA-N 439.539 2.292 30 10 IEEE COCCN1[C@@H](C)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H]1C 1452259017 LGBZRNOTTRSNMT-GASCZTMLSA-N 435.366 2.325 30 10 IEEE C=CCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 1453527274 PDNXBEIMZHYAJP-UHFFFAOYSA-N 430.486 2.392 30 10 IEEE C#CCN1CCC(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)CC1 1455944951 LYIVDAOVYHBITN-UHFFFAOYSA-N 425.514 2.485 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1456872862 YCTJGOSFOMTGGS-PGRDOPGGSA-N 447.557 2.379 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 1463852114 MLCDBLLQLGLLGB-UHFFFAOYSA-N 428.290 2.175 30 10 IEEE COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc2c1 1464027120 GTZVYHKESDWPRW-UHFFFAOYSA-N 436.493 2.262 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCn4c(C(F)(F)F)nc(Br)c4C3)nc12 1473873505 QWYDFMWKNGSURJ-UHFFFAOYSA-N 442.199 2.300 30 10 IEEE C#CCOc1ccc(CNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1 1477841411 FWGKDHPYOAIOBK-QFIPXVFZSA-N 434.540 2.395 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1492902344 RPRJVBXPWCWXGE-OAHLLOKOSA-N 426.525 2.093 30 10 IEEE C[C@H]1CCCN(CCCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1493794222 UUMAYTFXXVXMOD-AVRDEDQJSA-N 431.560 2.355 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)O1 1497491065 IQBGEDXLXLMGIH-WIYYLYMNSA-N 429.546 2.399 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C[C@H]1N1CCOCC1 1499698120 YQOJOONNJJRSJN-HLAWJBBLSA-N 442.539 2.348 30 10 IEEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCN(CC)CC1 1503187033 JVJYOURWQWWENX-LJQANCHMSA-N 425.581 2.315 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1503212743 ADHYDHJFTJNPAG-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1504338472 GNFLQYBAJMXBBY-PXNSSMCTSA-N 433.509 2.363 30 10 IEEE COCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1505047950 RKUBQZFSFDAPFW-UHFFFAOYSA-N 437.504 2.103 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCn2cc(C)cn2)c1 1507550194 HUNJGOLSVREUAU-IBGZPJMESA-N 433.516 2.043 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1507582203 DNAFIQKUKNMNFG-QGZVFWFLSA-N 431.500 2.378 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)F)CC1 1507749022 VMPOHQKYYSEFSE-UHFFFAOYSA-N 449.527 2.470 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1508003209 USPHUGMNIBOXQC-IBGZPJMESA-N 443.573 2.028 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508092211 AJCMSNHHBYTROO-XLIONFOSSA-N 441.532 2.173 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1508103074 BUPGTOWCCXHIPZ-HXUWFJFHSA-N 441.532 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508140328 HYPQLKPZSLASDY-MJGOQNOKSA-N 448.593 2.238 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1509735578 DTJKUEIBBDEWLE-XXBNENTESA-N 438.532 2.116 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1515965259 FVAUAABOQHECQV-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1516183601 FTCVDEWVXKALPP-CAPFRKAQSA-N 439.515 2.057 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnnn2C)cc1 1516301970 FZCBIONTFZEHKL-BTYIYWSLSA-N 440.483 2.436 30 10 IEEE N#CCc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1529870072 HGGSKHAFGPKYMO-IBGZPJMESA-N 428.470 2.130 30 10 IEEE COc1ccccc1N1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1537765645 ORIPKEWDKTWSJR-UHFFFAOYSA-N 442.541 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1538961478 AWMLGSFOSDGNIQ-PZJWPPBQSA-N 438.576 2.256 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1538971116 GQPYQFQKSBZFCZ-JKSUJKDBSA-N 428.562 2.379 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1538974222 RIWGVLVHAXZVKA-QWHCGFSZSA-N 444.483 2.003 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539060556 XWWFKMYHKJMFFE-HXUWFJFHSA-N 435.576 2.277 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1539094378 OYCLHLIQJOUINI-XLIONFOSSA-N 445.589 2.442 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1539179804 RTUPSTRLMLDQRE-ZCNNSNEGSA-N 428.558 2.418 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCSCC2)CCCC1 1539200517 JLTBFWGWEYVRNV-OALUTQOASA-N 433.622 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(N2CCCC2)CCOCC1 1539285967 RKKJOGORCKJHNS-UHFFFAOYSA-N 438.601 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1cccs1 1539300626 WFYQJNWQNPZGSL-FCHUYYIVSA-N 428.558 2.362 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1539651038 YATGDIVHXVDUQY-MRXNPFEDSA-N 431.566 2.181 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)CC1 1539742549 GDDKWCKQRXBMTO-UHFFFAOYSA-N 426.546 2.292 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc(OC)cc2)CC1 1539874788 PGQRLKWQTSXOIP-INIZCTEOSA-N 449.577 2.378 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1540033559 LLEOBTYFDKOLMG-UHFFFAOYSA-N 449.559 2.163 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccn2)CCC1 1540201494 WCINJENFEBBLNJ-GOSISDBHSA-N 445.589 2.336 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1540898900 YGMGQPYXLFWLGL-SFHVURJKSA-N 434.562 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1 1540900260 PQRMJCBBUVZAAA-UHFFFAOYSA-N 443.529 2.405 30 10 IEEE CC(=O)NCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1541084738 ODVPMTHDPOGHOE-KRWDZBQOSA-N 438.305 2.014 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1541116767 UWBYTDRUUJBHMZ-PKOBYXMFSA-N 440.548 2.283 30 10 IEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)n1 1543425614 RNSGLGBULFIVAK-UHFFFAOYSA-N 436.520 2.492 30 10 IEEE CCCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1547254259 JLQFCTUDLASJNU-UHFFFAOYSA-N 435.488 2.040 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1555555446 CQDJICSCJJEPCJ-UHFFFAOYSA-N 437.548 2.294 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1 1555816210 CZEVCRWTQBITHB-UHFFFAOYSA-N 428.518 2.371 30 10 IEEE Cc1cccc(CN2CCO[C@H](CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)c1 1557975771 XEMUPIOFJGAXIK-JOCHJYFZSA-N 430.512 2.265 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)C(F)(F)F)c1 1558062345 LOOFKGCZPQZSRH-MRXNPFEDSA-N 430.383 2.176 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)CC1 1559892467 ONLNOBAPUFCXKL-OAQYLSRUSA-N 426.561 2.058 30 10 IEEE COC(=O)C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@H]1C 1560150408 ZQYFOBQZSILVED-KZNAEPCWSA-N 442.560 2.487 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 1565345243 HFCXRNOXWYKFAN-RDJZCZTQSA-N 448.365 2.302 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1587898155 IOTFMYYENXKVTP-ICSRJNTNSA-N 444.580 2.142 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC[C@H](C)C1 1587970003 LSZYIWLDLMVOGZ-ROUUACIJSA-N 443.621 2.428 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1588229288 SOLJQLVLRHANSU-KRWDZBQOSA-N 446.960 2.353 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1589637112 UWFBYWPWGGGGTL-UHFFFAOYSA-N 433.516 2.006 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1n[nH]c(C)n1 1595275933 SYJDNALWAJWQBD-UHFFFAOYSA-N 435.330 2.344 30 10 IEEE C=CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1595906136 YUCPQLPBNHSIJL-UTKZUKDTSA-N 437.610 2.200 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccon2)CC1 1615837782 HPIRKLZSGHVFOV-SFHVURJKSA-N 434.548 2.467 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 1618705202 ASOFCSLPYMNIEM-UHFFFAOYSA-N 447.538 2.197 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 1623589950 IKKKFBKRSAZWAU-SFTDATJTSA-N 445.560 2.491 30 10 IEEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)N1c2ccccc2C[C@H]1C 1627729483 LBTNDMWJPVGJDS-KGLIPLIRSA-N 429.473 2.219 30 10 IEEE COCCN(CC#N)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1629261904 VBHMYIXNBABORI-KRWDZBQOSA-N 433.509 2.354 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2N2CCCC2)c1 1630751833 GNKPJSWALSBICU-XZOQPEGZSA-N 437.565 2.480 30 10 IEEE Cn1ccnc1C1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1637167143 HEWCGPDKFVNOCO-PSCUFVCCSA-N 443.548 2.017 30 10 IEEE CN(Cc1cc(Br)ccc1Cl)C(=O)CCn1cc(C#N)c(O)nc1=O 1638541020 CPYDEKJPOKKHMO-UHFFFAOYSA-N 425.670 2.285 30 10 IEEE COC(=O)c1ccc2c(c1)N(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1643797912 HLWDITFYPSUVDL-AWEZNQCLSA-N 441.509 2.270 30 10 IEEE C#CCC1(NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCOCC1 1652144751 PZMVGRKALKHKDR-UHFFFAOYSA-N 439.553 2.437 30 10 IEEE COC(=O)C1(C2(O)CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CCC1 1653670727 AZQBREFXQGYWPT-QGZVFWFLSA-N 429.492 2.220 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 1655557663 GNJFJMVMXRCCOH-IRXDYDNUSA-N 427.567 2.404 30 10 IEEE CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCN(c4ccsc4C#N)CC3)cc21 1656002317 DIMIWKDOUJWGKU-UHFFFAOYSA-N 430.555 2.430 30 10 IEEE N#Cc1ccc(N2CC[C@H](N3C[C@@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)C2=O)cc1 1656532123 YYKRMPLYURXGNO-QILLFSRXSA-N 427.448 2.105 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1c1ccncc1 1659975896 YXKBYJBAAPKUBC-XXBNENTESA-N 436.535 2.140 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1682697220 BHPYLLVPHXCHIF-CVEARBPZSA-N 447.479 2.455 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1689973848 SNOPSRVYXFXHPS-KRWDZBQOSA-N 448.552 2.392 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCOC[C@H]2C1 1690183211 PTTUUGRYFCSSKP-HXUWFJFHSA-N 441.601 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1690205975 DIKZFQKSTHNMCW-OXJNMPFZSA-N 433.603 2.488 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1690205976 DIKZFQKSTHNMCW-OXQOHEQNSA-N 433.603 2.488 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCCn1cnnn1 1690214359 HCSXZMWFPIZSEC-JOCHJYFZSA-N 436.520 2.325 30 10 IEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1690433372 VNQMPKPFNMWJGD-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1691359043 DIPITJCWXXKEQE-PMACEKPBSA-N 441.532 2.274 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CCCOC(C)C)CC2)c1C#N 1693407386 WIOWUAMEMYTEAY-UHFFFAOYSA-N 449.563 2.395 30 10 IEEE CCCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695441936 GMFOUFFPCHGODF-UHFFFAOYSA-N 445.527 2.124 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(=O)C(C)C 1705540501 BMZOQDHTFRGAEA-UHFFFAOYSA-N 430.940 2.093 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1705570952 VTVKOATWJVXDKV-IBGZPJMESA-N 440.573 2.334 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705664081 JUGVMIJLDFVKRB-GOSISDBHSA-N 441.557 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705700585 VWTHAUBILOOKJE-TVFCKZIOSA-N 426.583 2.023 30 10 IEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705808644 UCVPOIMODZTEGK-UHFFFAOYSA-N 449.625 2.356 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705900286 XVRYNYLAROYNER-IBGZPJMESA-N 440.470 2.116 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705903799 UVGNGRYRWFOTQR-GOSISDBHSA-N 445.589 2.168 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 1705910479 DBWOHQWUSVGBFE-MJGOQNOKSA-N 427.505 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705932168 NTHYZQKZQURYTH-UKRRQHHQSA-N 445.467 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnccn1 1705938874 LKKGCSSEUNQKNF-QZTJIDSGSA-N 448.593 2.224 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCSCC(F)(F)F)n1 1707832984 MMINBMADAAADGR-AWEZNQCLSA-N 429.472 2.164 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1708153677 ZJKMXAHJTPPBAH-LPHOPBHVSA-N 438.532 2.211 30 10 IEEE CCc1cnc(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)s1 1708966823 BVHKGQHVIFWSLB-RDJZCZTQSA-N 445.593 2.246 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1709373277 LLTLEIIWFWWUPP-UYAOXDASSA-N 427.505 2.149 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@H]1C 1710285867 HABULHRUPTXGAU-JPYJTQIMSA-N 440.548 2.065 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 1710603029 GLYGBHVLTOOKFU-HGCBZUSOSA-N 439.516 2.136 30 10 IEEE CN(CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1711194598 CCDDPPIUWFUERX-JOCHJYFZSA-N 425.512 2.483 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722334982 JVHKHOPQGQFHIO-UHFFFAOYSA-N 443.621 2.038 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722359240 KAWGENJOQZJXEF-DOTOQJQBSA-N 428.514 2.353 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCc1nccc(C(F)(F)F)n1 1722383245 RVXJBJAJGHXRHP-UHFFFAOYSA-N 425.418 2.388 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722459511 LPYXAPBVTHSDDS-OALUTQOASA-N 433.622 2.228 30 10 IEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1722481494 APNJAECWEPMFNF-UHFFFAOYSA-N 437.342 2.161 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722493829 AAYNSSJDKVUTQL-AZUAARDMSA-N 445.589 2.444 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1722525244 WXWYBYLYACNVLT-UHFFFAOYSA-N 442.539 2.447 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1722531865 ZRMUKCBEYIXAGP-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1722587985 HHFZCNWPOBPOLO-OALUTQOASA-N 441.532 2.344 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@@H](C)C1 1722632547 XYQZFBZKEKSFIL-SFHVURJKSA-N 447.605 2.472 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@@H]1C 1722678406 PVCMVYMTXOULAJ-SFHVURJKSA-N 443.548 2.076 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)S[C@@H](C)C1 1722698792 MJRKCVMGVKMXBC-MPGHIAIKSA-N 429.546 2.423 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1722701341 NSEUZRKWNSACFX-HXUWFJFHSA-N 438.576 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCS[C@@H](C(C)C)C1 1722729002 VQKRYUXWIZXOGU-DLBZAZTESA-N 428.624 2.351 30 10 IEEE C[C@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCO1 1726469466 FNJSLNCBNWUZRH-ROUUACIJSA-N 438.532 2.212 30 10 IEEE CN(C)C(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCCC1 1729293307 DCFCIMQAXPTWTG-UHFFFAOYSA-N 440.573 2.034 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCCO2)c1 1740562788 OGAAVJKEGPBSGU-HSZRJFAPSA-N 438.532 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCN1CCCO 1740637247 VMWBIPNEQVNTAI-QHCPKHFHSA-N 443.555 2.050 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2ccccc21 1740645818 LXFHCUBWBFOGMP-HKUYNNGSSA-N 425.558 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1740650265 VDIBJWFDKIFILU-UHFFFAOYSA-N 449.559 2.342 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1740654152 FBVZNWYOYICGGT-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740795173 OZNUEJISCBCGOX-IRXDYDNUSA-N 432.525 2.459 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1740932642 SCFZKYJAJRIZIQ-QGZVFWFLSA-N 437.591 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(C)(OC)C1 1740994216 ORDXTBIMHQSQKH-UHFFFAOYSA-N 434.562 2.300 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1741293912 XQLVFCVBWFRELM-UHFFFAOYSA-N 431.500 2.252 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1748771032 FKWZICBTSHWYMO-GOSISDBHSA-N 446.573 2.044 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1Cl)N(C)C 1748824692 HZGAGKFCUBWZAF-LJQANCHMSA-N 426.952 2.445 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNC(=O)C2CCC2)CC1 1748984884 UTPXJBBTLSZLLL-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccccc2C(C)C)CC1 1748990359 HHPWCJYOARANRB-FQEVSTJZSA-N 436.560 2.187 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1749020413 SCCCIOIUUQKWAY-UHFFFAOYSA-N 446.621 2.012 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N2CCCCC2)CC1 1749729825 SXWRFNZJSGSHJZ-UHFFFAOYSA-N 444.605 2.396 30 10 IEEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1750041002 ZHCWCAIBPZJFJN-FDDCHVKYSA-N 438.532 2.433 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCCCCC1 1750139874 UEKDYIKWPMLQQU-LQBOVUBWSA-N 448.543 2.237 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1751095155 UWZWSCPPEISKPS-GVDBMIGSSA-N 445.568 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1760098939 XTNWUUGMHXXKKA-HOTGVXAUSA-N 435.525 2.051 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189315 HLADUWOHMRQQBV-HXUWFJFHSA-N 430.574 2.229 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1760285672 NJPZDHLPDPPFKL-UHFFFAOYSA-N 446.527 2.482 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760448589 IDHQUQWWOLBTLP-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760451937 YVAVQDMMNZXUED-INIZCTEOSA-N 446.502 2.296 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760518368 SAXMFRGKFYABRP-HXOBKFHXSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760524107 PMUVCNXIXZMIAP-NRFANRHFSA-N 449.559 2.016 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760526843 VEFXCOGSPKBRLD-VSOVRNOCSA-N 425.533 2.065 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1763298064 YYCVOAIYQKNWEP-WOJBJXKFSA-N 438.532 2.117 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCCCC1 1769836983 HJTZWTSFPVFJKZ-UHFFFAOYSA-N 431.585 2.145 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1771442774 VFHRHYCPGIOTNH-RJCBAWPRSA-N 439.545 2.198 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1849605757 BOHPZVBCBHDIBZ-UHFFFAOYSA-N 445.585 2.412 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H](N2CCS(=O)(=O)CC2)C(C)(C)C)c1C#N 1851772124 GAIXHOBIGXCUSK-LJQANCHMSA-N 443.573 2.195 30 10 IEEE N#Cc1ccc(NC(=O)NCCN2CCN(Cc3nncn3-c3ccccc3F)CC2)cc1 1852197263 MOTQLFRBQMDQLE-UHFFFAOYSA-N 448.506 2.217 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852780121 HBTDDFZXFPKMGF-UHFFFAOYSA-N 444.391 2.300 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CSC4CCCC4)C(=O)C3)C2)cc1 1854237599 CKPSEKSVYRGMKJ-FQEVSTJZSA-N 426.586 2.479 30 10 IEEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2(C)C)c1 1854779633 RFLPNEICZYGGAY-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE N#CCC(=O)O[C@@H]1CON(S(=O)(=O)c2cc(Cl)ccc2OCC(F)(F)F)C1 1855854821 URPRVCUCMQBYTG-JTQLQIEISA-N 428.772 2.042 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)Cc3ccc(Cl)s3)C2=O)CC1 1857070777 VFYIROWARGPYFH-MRXNPFEDSA-N 429.933 2.160 30 10 IEEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 1858411392 FASNFGAFHBESAE-QGZVFWFLSA-N 438.509 2.334 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 1862606823 ALTDWGXSOAGOAH-LJQANCHMSA-N 427.409 2.094 30 10 IEEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868795355 KIHUPSGOEUTSQO-WOJBJXKFSA-N 445.633 2.472 30 10 IEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CCCOc3ccccc3)cc2C1=O 1870145162 VLMZMSBRDPNUEC-UHFFFAOYSA-N 430.424 2.162 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(OC)c2)cc1 1874292552 JMUIYMCQSYDYPZ-LSHDLFTRSA-N 443.485 2.040 30 10 IEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccncc2)o1 1874433489 NLAKCDFNPIWSIY-LSHDLFTRSA-N 428.474 2.253 30 10 IEEE CC#CCN(CC(=O)Nc1cnn(C)c1I)C(=O)OC(C)(C)C 1900657671 PYXQBUBKKNETKG-UHFFFAOYSA-N 432.262 2.224 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(N)c2)CCN1Cc1ccccc1 1914862155 OZOIJTKDBJMTBT-OAHLLOKOSA-N 435.347 2.430 30 10 IEEE CCNC(=O)COc1ccc(C=CC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 2041502492 GKWOQNQVHJECAN-UHFFFAOYSA-N 446.525 2.357 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2063131269 YKGNYYOHAHVMFA-LLVKDONJSA-N 434.312 2.114 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124538811 NPUUDJBVMZJFJA-FGZHOGPDSA-N 444.341 2.361 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237380346 JWHXIILAUPOJKF-OXQOHEQNSA-N 437.334 2.482 30 10 IEEE CC(C)(C)OC(=O)Nc1nc(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)cs1 2255617921 FMQQFVZHNPSXOT-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627071 NNRUTRUHACXVLJ-CQSZACIVSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630494 LCMUHNMGIWMGPX-UKRRQHHQSA-N 434.346 2.132 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851554 RWRMUBRGJGDSPO-NWDGAFQWSA-N 430.232 2.108 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CC(C)(NC(=O)OC(C)(C)C)C1 2255874214 ROLONEVLXKFAAU-UHFFFAOYSA-N 433.358 2.500 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2255877916 OWJLUGXKKSFFRZ-QGZVFWFLSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2256620848 NRZLQEMYZXLNBD-CHWSQXEVSA-N 449.382 2.171 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267128462 QZNAUEIRTDYYCG-GOEBONIOSA-N 448.373 2.095 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2267157612 ZCUVLJDZXRUHDW-CQSZACIVSA-N 448.325 2.275 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267197887 PUCMZLVYVUWSKM-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2267267867 ZSICKZCGXMFYQO-BBWFWOEESA-N 445.369 2.452 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267491669 HCWJFCWJTCKYTA-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267519606 JEVPHXMCLVPMKO-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1CO 2267822804 ZYSHOQOFWKGAAA-HNAYVOBHSA-N 447.385 2.280 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c(O)c2)OC1(C)C 2269011172 BNYSBPNWOLLZAV-GOSISDBHSA-N 441.289 2.091 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@H](O)C#Cc1cccc(Br)c1 2278733048 PNOBDSMDZCRXQU-HZPDHXFCSA-N 444.347 2.099 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2278736511 AYEQBJYMHMNIJB-GPMSIDNRSA-N 425.323 2.043 30 10 IEEE CC(=NO)c1ccc(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)nc1 2283592661 DOSNMDJMLNLVQM-UHFFFAOYSA-N 430.486 2.344 30 10 IEEE CC(Cl)=CCn1c(NN=C(C)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 2296145156 XTGAXYHCCSTMOW-UHFFFAOYSA-N 445.867 2.321 30 10 IEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 2297741130 WCBKJTAHTMNAPA-HXUWFJFHSA-N 442.468 2.051 30 10 IEEE CC1(C)OB(c2cc(=NC[C@H]3CCCCN3C(=O)C(F)(F)F)[nH]cc2F)OC1(C)C 2322305917 CDXQVMHAMVFIOB-GFCCVEGCSA-N 431.239 2.297 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2327902053 IMUIUDIFCHKKSR-CQSZACIVSA-N 432.506 2.267 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2337200816 NHAIGZGQGVNPPS-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(F)c1 20291826 DXLVMNRLJUYKPQ-AWQFTUOYSA-N 430.425 2.216 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)n2N)c1 21316654 CIAJOJZYPLIQOQ-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE N#Cc1cc(Cc2ccc(NC(=O)/C=C\C(=O)O)c(C#N)c2)ccc1NC(=O)/C=C\C(=O)O 59383297 RADVZTXUWRECKM-SFECMWDFSA-N 444.403 2.179 30 10 IEEE CC(=O)OCC(=O)[C@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]34O[C@H]4C[C@@]21C 120718442 ZSDUSKSIXJMQRS-POUFWITRSA-N 432.488 2.483 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 438676021 FGWWSEVFSIDSFI-UHFFFAOYSA-N 433.451 2.300 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2CCC(C#N)CC2)c(C)c1 442979315 FLMXGRULSRVYHB-GUMHCPJTSA-N 433.574 2.182 30 10 IEEE N#Cc1cc(NC(=O)C(=O)NCCCc2nnc3ccccn23)ccc1OC(F)(F)F 443270641 DBYQZGUAPWWZQF-UHFFFAOYSA-N 432.362 2.187 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1 487099043 TYIWKEYRHLZZPQ-HRAATJIYSA-N 429.484 2.300 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCOC4(CCSCC4)C3)C2=O)cc1 487414340 PZPUSMNXOCFZOV-OALUTQOASA-N 428.558 2.403 30 10 IEEE CCN(CC)CC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505409436 PHAOURXYSFVHIO-HXUWFJFHSA-N 425.533 2.344 30 10 IEEE CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 507543094 AAUNNCDMFDSQDM-UHFFFAOYSA-N 449.554 2.041 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1Cc1ccon1 532448873 KEZCBTKJQPIHGA-UHFFFAOYSA-N 425.897 2.472 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 533101366 IUKCAZKIZBVDHY-UHFFFAOYSA-N 429.523 2.053 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1-c1ccccc1C#N 533202091 FVTDOYVUMVXCRC-UHFFFAOYSA-N 448.573 2.379 30 10 IEEE N#CC1(CS(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CCCC1 546075392 ZKFQZXLOAPUTSM-UHFFFAOYSA-N 425.576 2.116 30 10 IEEE Cc1nccc(N2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)n1 546811004 PYXASXHSMMHFSL-UHFFFAOYSA-N 433.516 2.477 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 549677931 MNGCTRXOPIFDEA-ICSRJNTNSA-N 445.589 2.489 30 10 IEEE Cc1cc(C#N)nc(N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 557624857 FUYXGRMLPPITRK-UHFFFAOYSA-N 442.364 2.382 30 10 IEEE CCOc1ccc(OCC(=O)OCCN2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 586386260 HIFFQIAZGCXTHC-UHFFFAOYSA-N 437.496 2.337 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)cc1C#N 609922141 WKVHRZIYPCSEQX-OAHLLOKOSA-N 440.525 2.441 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)[C@H]1CCS(=O)(=O)C1 729335598 SBSXWFLCEFIPMK-CTNGQTDRSA-N 448.544 2.260 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2CCC2)c1 730137718 HQCOBEDXDRJEEC-LJQANCHMSA-N 445.589 2.445 30 10 IEEE COC[C@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 730138999 PCSPVEXEFBORJL-RDTXWAMCSA-N 438.569 2.416 30 10 IEEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1 730710615 OSBJBVVXEHXAEA-QGZVFWFLSA-N 429.546 2.491 30 10 IEEE N#C[C@@H]1CN(Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)CCN1C1CC1 732672795 NDSHJWASYVUCMA-LJQANCHMSA-N 443.552 2.009 30 10 IEEE Cc1nccn1-c1ncccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733776075 GQEZXWGIOLKHJL-SFHVURJKSA-N 429.440 2.291 30 10 IEEE N#Cc1cccc(N2CCN(Cn3nc(Br)c(=O)c4ccccc43)CC2)n1 760553836 ZUDWSXCGFHSYJQ-UHFFFAOYSA-N 425.290 2.205 30 10 IEEE COc1cc(OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)ccc1C#N 767102741 LJZODVWMIHKBCJ-ZROIWOOFSA-N 441.509 2.091 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3cc(Br)cnc23)[C@H](C#N)C1 769957886 PJHWNDMRIFUWGG-GFCCVEGCSA-N 435.282 2.077 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)ccc1Br 775160352 NLLKZDSKAVLFOM-UHFFFAOYSA-N 446.257 2.371 30 10 IEEE CC(C)(C)OC(=O)c1cccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c1 777940246 JRTNPQJXFRUHBG-SFHVURJKSA-N 437.521 2.071 30 10 IEEE CN(Cc1cnc(N(C)C)nc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 780501959 PTPHTGAHXIAZQC-HKOYGPOVSA-N 445.549 2.019 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)c(C)c2)n1 788695446 NWPWNUFAIMYJJP-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE Cc1cc(C)c(N2CC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2=O)c(C)c1 788941609 GRTNRSBMCGINRC-MOPGFXCFSA-N 447.543 2.299 30 10 IEEE Cc1ccc(C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1C#N 799602938 AXKCYRHNZZBQTG-UHFFFAOYSA-N 431.426 2.015 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800785692 XFYYKYZIAWYKTA-SFHVURJKSA-N 430.574 2.471 30 10 IEEE CC(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802675085 ZVKRYNHVPMQFLA-QGZVFWFLSA-N 432.532 2.025 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 805588673 BYPYTBFHNHJXQR-KBAYOESNSA-N 445.491 2.257 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 806412531 AZBCHIADUAUKEU-FQEVSTJZSA-N 447.495 2.323 30 10 IEEE C#CCN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1CCS(=O)(=O)C1 807252927 VMOQAZOMDYWBSF-HOTGVXAUSA-N 426.336 2.127 30 10 IEEE C#CCN(c1nnc(CCCOc2ccc(Cl)cc2C)n1C)[C@@H]1CCS(=O)(=O)C1 809807387 NNTBGITWGOTEJY-QGZVFWFLSA-N 436.965 2.415 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)OCCO2 812198671 HLANTUHWNZHZCQ-UHFFFAOYSA-N 427.505 2.499 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccccc2I)cc1 916178953 WFKQEKZAFDBLQS-UHFFFAOYSA-N 426.235 2.423 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)[C@@H]2COc3ccccc3C2)c(=O)n(-c2ccccc2)n1C 916960371 CGZOTKJNOYLWOZ-HKUYNNGSSA-N 430.464 2.383 30 10 IEEE CN1CCC(C#N)(NC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 1136630518 SIDIFKCGVRRTFO-UHFFFAOYSA-N 425.558 2.293 30 10 IEEE CC[C@@H](CO)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1137644301 OHYNPJUVJYPZFR-PZJWPPBQSA-N 442.560 2.308 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN(C)c1ccccn1 1153114043 OYMWVWZPEOVQRG-GOSISDBHSA-N 443.573 2.322 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCCN1C(=O)OC(C)(C)C 1157991562 IDPOWNIXZSMJGF-XCGNWRKASA-N 439.553 2.429 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc43)n[nH]2)c1C 1159182906 SWHNMEZHILFWSN-HNNXBMFYSA-N 425.514 2.377 30 10 IEEE C=CCOC[C@H](NCc1nc(Br)c(Br)n1CC)C(=O)OC 1181235300 UKCWRIYRZPBYMI-VIFPVBQESA-N 425.121 2.262 30 10 IEEE CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(Br)c(C#N)c1)CC2 1209998567 FFDWXUILEONFKJ-CVEARBPZSA-N 429.336 2.261 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1286303098 PIQCZZKISIPAIU-ZDUSSCGKSA-N 447.442 2.237 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@H]2C1 1286316771 YTIPKHBQDRIZQM-MRXNPFEDSA-N 433.354 2.360 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1286397646 ONWJVJDWRCSZNN-UYAOXDASSA-N 439.947 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)OCCc2sccc21 1286415462 NTCILZAFLLNLCX-JOCHJYFZSA-N 425.558 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCC1 1286432024 VYCPKRSEJPDHOO-UHFFFAOYSA-N 433.560 2.220 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286456251 OYCLTQYQXICKAE-JOCHJYFZSA-N 446.548 2.264 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286467721 UIXMKRXRXCOCDN-OALUTQOASA-N 445.587 2.299 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1286516332 GDJRNBYNOWVWNH-HTAPYJJXSA-N 445.589 2.440 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H]2COCCO2)C1 1286807415 NSIUOPLVFLZOKS-WOJBJXKFSA-N 428.533 2.464 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1286814280 OVSKPVQMYSIVFG-ANULTFPQSA-N 447.580 2.042 30 10 IEEE C=CCSCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1286837234 UZXUPSMXVJGRGO-NRFANRHFSA-N 437.610 2.154 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCOC(C)C 1288155879 XMHLYIWQZQILEL-UHFFFAOYSA-N 439.564 2.430 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCCC2)CCOC1 1288321946 NJIXSQQZDGPUNW-KNQAVFIVSA-N 433.553 2.397 30 10 IEEE Cc1cccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)n1 1290016382 GMAUGTHCRBPUBT-UHFFFAOYSA-N 445.527 2.234 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCn2cnnn2)c1 1294682434 YODNXZZHWFDRQT-UHFFFAOYSA-N 446.920 2.138 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)cc1OC 1296744013 GDYYJMOBXGECQE-HXUWFJFHSA-N 426.456 2.086 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCO[C@@H]1C(C)C 1297287660 HAWBOFRYDXAGSW-TZIWHRDSSA-N 439.564 2.469 30 10 IEEE C=CC1(CC(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)CN(C(=O)OC(C)(C)C)C1 1297771159 FHXMLOYDYXJCEA-UHFFFAOYSA-N 449.573 2.293 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1298785636 MKCXPCGNSRBHIN-MOPGFXCFSA-N 429.546 2.399 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@]3(C(=O)OC(C)(C)C)CCOC3)ccc2c1=O 1300414120 FVLSEUWKPNQHMV-NRFANRHFSA-N 431.514 2.102 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1300459813 XAAWOAKGPVOSSV-KRWDZBQOSA-N 429.546 2.037 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1300521247 ULVUPKRQYOIZOI-UHFFFAOYSA-N 442.541 2.002 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](COC)OC 1300536436 XMZDLWBYIWWDSG-OALUTQOASA-N 445.564 2.127 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)N(C)C 1300548951 UYHPTMTYRLWKBL-UHFFFAOYSA-N 444.333 2.171 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1300915201 JOFVDGAXZNACPO-INIZCTEOSA-N 434.610 2.489 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1300983900 SFOXYLCVPFMZDD-MRXNPFEDSA-N 429.525 2.431 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCC2)CC1 1301072778 RAEXGCMONVPECG-UHFFFAOYSA-N 431.562 2.267 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1301351504 UXVLLLWINIBWKC-MSOLQXFVSA-N 440.523 2.476 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)OC)C1 1301555012 QZVCOJXNVSGVNG-IAGOWNOFSA-N 438.532 2.491 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1302011761 KPBVQVKFAYTQBB-INIZCTEOSA-N 441.598 2.345 30 10 IEEE CC(C)C(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1302432933 ANLAAHOUOGKZSR-IAGOWNOFSA-N 444.511 2.448 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1302565496 BOXLCRFWJGTDER-KYJSFNMBSA-N 426.546 2.195 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1302586331 PJXPFROEXKPGEN-GAJHUEQPSA-N 444.507 2.372 30 10 IEEE C=CC[C@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1321048724 MXUPAPSMMSRBHI-DOMZBBRYSA-N 432.336 2.483 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1358903596 CRTYTMWOTPUJKU-UHFFFAOYSA-N 427.578 2.096 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1358931466 BYWZWZWUYWRMFT-OAQYLSRUSA-N 449.603 2.200 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(O)(CC)CC 1358971332 QRKCAHLPIHXZJL-UHFFFAOYSA-N 442.589 2.171 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(OC(F)F)c1 1358976211 VIDPQNHIXLFSAM-UHFFFAOYSA-N 426.427 2.410 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359140560 FLGCYFRAHJYYLK-UHFFFAOYSA-N 446.939 2.439 30 10 IEEE C=CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1359250028 YZMIACIEZGLYSF-UHFFFAOYSA-N 439.545 2.189 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)N(C)C)C1 1359315338 SKKZMAKNSOCTGN-KRWDZBQOSA-N 445.545 2.364 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)ccc1F 1455427906 RMBXVHNRMVZOJU-INIZCTEOSA-N 426.897 2.277 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1460780874 JUMLNFMKGABGGI-JHNDHUHGSA-N 435.274 2.115 30 10 IEEE Cc1cccc2nc(CCNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cn12 1469717262 QKJVMHCYQCVZJW-LJQANCHMSA-N 430.468 2.078 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H]3C[C@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 1479515563 JJYBKLFJYIPUGW-SHTZXODSSA-N 434.566 2.458 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCN1CCC(C)CC1 1492911953 TZULLZYMLQCQMY-LJQANCHMSA-N 437.596 2.475 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOc1ccccc1 1503108373 FOPJFNWVQCGAPO-UHFFFAOYSA-N 433.516 2.487 30 10 IEEE COc1ccc(OCCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504312636 KSYMHHXCFVLAAY-NRFANRHFSA-N 434.500 2.470 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1504569865 CRMQKLDLNLREFB-JLSDUUJJSA-N 427.461 2.125 30 10 IEEE COC[C@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C#N)CC1 1504594914 MIQPVFMOTIXJFE-MRXNPFEDSA-N 449.556 2.271 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4CCC[C@@H]43)n2CC(=O)NCC(F)F)cc1 1505317618 AGAQSFQVTWEQPO-RDJZCZTQSA-N 430.459 2.489 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(-c4cnccn4)n3CCCCCO)CC2)c(F)c1 1505319242 UAYNXAKKUCMBNU-UHFFFAOYSA-N 436.495 2.235 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507596220 FGUUHQDOXGCQES-UFYCRDLUSA-N 429.565 2.158 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1507656063 CDWHVEOUDLZBCJ-UHFFFAOYSA-N 441.539 2.324 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)=O)CC1 1507960652 UUHXKAWVOWWACL-UHFFFAOYSA-N 427.505 2.371 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(F)(F)F)n1 1511703564 BPWUPZOHCPTZSU-UHFFFAOYSA-N 432.410 2.237 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)C1 1517504274 AIBXDIGKYIMWAP-GOSISDBHSA-N 447.547 2.174 30 10 IEEE C=CCCn1cc(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)nn1 1533776821 JEBCHEIFTHHTCF-INIZCTEOSA-N 431.562 2.213 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1539220496 JXHIZRYKSSHRBH-RTBURBONSA-N 446.548 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](OC)C2CC2)CC1 1539474422 QKOVXBXJHOOVPR-GOSISDBHSA-N 442.951 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539484234 IIIICSBVTJMSML-RBUKOAKNSA-N 426.609 2.317 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C/C(C)=C/c1ccccc1 1540871421 LJSVYVUNSQQKDV-XEYRCQSKSA-N 443.573 2.022 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)nnc1C(C)(C)C 1540876731 ZDPWCSKNSULOCL-HNNXBMFYSA-N 442.568 2.021 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1540901520 GLEFFQCPMXQLHU-KRWDZBQOSA-N 444.536 2.412 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1548316164 JIURXFXXQRSFAX-CEXWTWQISA-N 429.546 2.113 30 10 IEEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1552877181 MUXMPRAYJFTQBK-FQEVSTJZSA-N 426.521 2.109 30 10 IEEE COc1ccc(COCCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1554953090 KMVMVSJTDZCVPF-OAQYLSRUSA-N 434.500 2.218 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1556335307 KZANPXFGJJTWHZ-FQEVSTJZSA-N 439.509 2.500 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CS1(=O)=O 1557386675 BXKJCOGLYQLALT-ZFWWWQNUSA-N 432.502 2.105 30 10 IEEE C#C[C@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)c1ccc(Br)cc1 1561601752 XLFOYUZGGSYNAB-INIZCTEOSA-N 429.336 2.233 30 10 IEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1565247917 XAJRTSLOJSAZLY-UXHICEINSA-N 428.533 2.429 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc(-c3ccncc3)n[nH]2)C1 1570398894 PGPXRQLMJHXXDL-UHFFFAOYSA-N 438.289 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1 1587555139 CUMYOIRJZCJQEX-KRWDZBQOSA-N 445.527 2.328 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)c1 1587633548 WGBMZMSFYLITFA-SFHVURJKSA-N 433.564 2.276 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ncccc2C)c1 1587689674 OYEREQOKZZOSJU-UHFFFAOYSA-N 440.511 2.487 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1587926732 FUPUKGHHVVEQAA-UHFFFAOYSA-N 448.545 2.008 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H](C)C1 1587931963 GWGPSKINLMVKDG-IRXDYDNUSA-N 431.562 2.080 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1587974967 HUODNETZPNWGSW-SFHVURJKSA-N 447.543 2.049 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@]2(C)CCCO2)n1 1588724406 YUFUCYDBKHXFEP-HSZRJFAPSA-N 435.532 2.392 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1588800450 HKDDKEIRJGPPHL-SFHVURJKSA-N 439.564 2.399 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1588929640 DXKQHTPCUICKCX-UHFFFAOYSA-N 444.580 2.378 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCN(C)C1 1595094156 OJHQFKXUTWJLNR-QPPBQGQZSA-N 436.560 2.303 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](COC)C1 1595497083 PKFWNQIEMQOLJO-NVXWUHKLSA-N 445.589 2.285 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCOC1 1595610726 GFKDNFJWTGUJMJ-QVKFZJNVSA-N 433.892 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2c(F)ccc(F)c2C1 1595799359 ZCOCKBNBVRUTLV-AWEZNQCLSA-N 438.500 2.224 30 10 IEEE C#CCOCCN(C)C(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1608103653 FNAFGZHXQOPEPX-MRXNPFEDSA-N 430.364 2.151 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1OC 1616488402 OTROMSLSOGYMPT-OAHLLOKOSA-N 437.905 2.407 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 1618485512 STBNPDSFOJCVGV-INIZCTEOSA-N 428.470 2.113 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)nn1C 1619910326 FEEKAYWACCVGOX-UHFFFAOYSA-N 447.341 2.492 30 10 IEEE COCCN1C[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)CC#N)CC1=O 1619930754 DCRGIIZAYFOYNG-SOAMZJECSA-N 446.596 2.430 30 10 IEEE N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)nc2n1CCOC2 1623340576 ZUOBRLKQIXTBSE-ZDUSSCGKSA-N 445.426 2.377 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1623649330 RNQAGZJGZGVVME-DLBZAZTESA-N 444.557 2.135 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1630376937 IEKGMWLWLCNRAH-UHFFFAOYSA-N 441.532 2.214 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 1631704086 DEWCFRUAOHOFCT-FQEVSTJZSA-N 439.537 2.264 30 10 IEEE Cc1nc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)nn1-c1n[nH]c(C(F)(F)F)n1 1633170940 DORFGQWFQMLXBS-UHFFFAOYSA-N 446.393 2.020 30 10 IEEE CCN(CC)C(=O)CN1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1634976360 XWDSORZHKWITFI-GOSISDBHSA-N 437.585 2.023 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)s1 1638505158 CVRBBUKBZWCQAB-IBGZPJMESA-N 428.576 2.335 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C(=O)OC 1642698234 NPJJAEZWGOSTSA-KRWDZBQOSA-N 448.497 2.439 30 10 IEEE N#Cc1ccc(N2CCN(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)cn1 1644411413 FFWOUBHDOHXSAR-UHFFFAOYSA-N 438.557 2.143 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](N(C)C(=O)N(C)C)C2)n(Cc2ccco2)c1C 1654370821 WFZZAKWWHSMJOT-QGZVFWFLSA-N 426.521 2.244 30 10 IEEE Cc1cc(Cl)cc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1656654669 FBSZIPZSHXUSMB-UHFFFAOYSA-N 433.917 2.432 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1scc(Br)c1Br)C(=O)OC 1664368352 UFYKPYFCALVTER-ZETCQYMHSA-N 431.127 2.116 30 10 IEEE C#CCOc1ccccc1CNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1667313503 PNCHNQRVAITOEZ-UHFFFAOYSA-N 441.278 2.178 30 10 IEEE C#CCC1(NC(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)CCOCC1 1673738844 JKQIUOPRVIWBGG-UHFFFAOYSA-N 446.552 2.046 30 10 IEEE CC1(C)CC[C@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1 1685532654 UWVGGWDDVGSLFB-GOSISDBHSA-N 434.562 2.169 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCc2ccccc21 1690003704 VDCOTAJWLXLGOQ-NBGIEHNGSA-N 433.556 2.454 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690451949 TZSWXBUZOQTPHE-NRFANRHFSA-N 425.493 2.313 30 10 IEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1690481346 BSNQDVDVXHHXBQ-UHFFFAOYSA-N 435.532 2.310 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1cccn1 1690609394 MTZJMCURCOGIRF-UHFFFAOYSA-N 435.532 2.387 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1690671598 ZRKVDLHCUNPXAF-WMZOPIPTSA-N 431.924 2.316 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690750129 ASNSGOGDWNYZFA-APWZRJJASA-N 443.573 2.500 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1692661653 INWMZNYYOIRODF-FUHWJXTLSA-N 433.507 2.358 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1693078832 JIMYEDOPMORKGX-SFHVURJKSA-N 433.472 2.343 30 10 IEEE Cc1nnc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693452603 AHMKSBQCMOPQDI-UXDFZSADSA-N 449.559 2.214 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1695894419 BIWYHEMXUOSAIK-CVDCTZTESA-N 439.612 2.082 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccc(C(N)=O)c1 1698130082 QZLKYKONBMDGIH-MRXNPFEDSA-N 426.521 2.279 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CCO1 1698492305 AYPGLDWCSPYTGN-IAGOWNOFSA-N 447.586 2.091 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705507608 ALRNTTZFWGBDLU-GOSISDBHSA-N 434.504 2.040 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1705546353 JCZQELDIWPVUIS-DEOSSOPVSA-N 437.544 2.170 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705571155 WJRUHCJMEZWHSA-MGPUTAFESA-N 436.965 2.028 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[C@H]2OC)CC1 1705647186 BXUYQPIISNFTEY-PZJWPPBQSA-N 436.560 2.429 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705684949 IAWKJIRGJFZPJB-SUMWQHHRSA-N 437.386 2.053 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1705737472 RXHGWEFBIZTDDA-UHFFFAOYSA-N 439.568 2.224 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1705827167 WWCHIIYOTZLEQK-FQEVSTJZSA-N 433.509 2.383 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705827926 VRFUDJFZMITTDC-UHFFFAOYSA-N 436.516 2.203 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705830431 PJWPSSLHKRLUKP-LJQANCHMSA-N 427.553 2.190 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1705850845 KTNWAWSBSRKPLX-UHFFFAOYSA-N 432.546 2.048 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1705873789 VHOUIKUKAZITAP-SFHVURJKSA-N 441.580 2.210 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[C@H]21 1705895102 UFNZFRSQHXDHKG-NVXWUHKLSA-N 428.924 2.152 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705937518 WQZFAOJZUQRDEC-LJQANCHMSA-N 449.621 2.203 30 10 IEEE CC(C)OCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706706791 CIQHMWUYROYYBF-LJQANCHMSA-N 425.537 2.190 30 10 IEEE Cc1nccnc1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1707795380 DZNKUOHWJQVECG-FQEVSTJZSA-N 440.508 2.053 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCO2)cc(OC)c1OC 1711653491 CRIVBXSWWJWMIZ-DLBZAZTESA-N 441.488 2.045 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1712126682 HSCPCPUWWVYNKW-INIZCTEOSA-N 426.521 2.068 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CCOCC1 1712576290 VSQAMMSDJKXWEB-SFHVURJKSA-N 441.532 2.254 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2Cc2cccn(CC)c2=O)c1 1722310557 WUFWDJMBFGFLKE-UHFFFAOYSA-N 430.512 2.442 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1722360795 JSGWUTIQCHRYBA-SLFFLAALSA-N 443.573 2.028 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCN1CCOC[C@H]1C 1722418654 YDJRCGSLXKQXCK-GOSISDBHSA-N 435.507 2.235 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OC)CCC(C)CC2)CC1 1722433060 KFUDLLXZKLBEJB-VZYOYLOZSA-N 445.608 2.281 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722626235 AKXATRLOJNKLMS-PMACEKPBSA-N 430.553 2.175 30 10 IEEE CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C2)n1 1729654339 IMPWCETUUBOKSV-HNNXBMFYSA-N 436.520 2.486 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(C(=O)N(C)C)CCCC1 1730762268 CEQIMJXWUUXBOS-GOSISDBHSA-N 432.569 2.187 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1740545528 AUSMSCXJFZEMOX-AWEZNQCLSA-N 449.540 2.301 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740617917 YXXWTUGJASDUGF-VJANTYMQSA-N 438.594 2.065 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCOCC2)c1 1740652342 WBAJGRZASCXUQO-UHFFFAOYSA-N 443.555 2.022 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740751997 RBNNKSSEEQTJFN-IKGGRYGDSA-N 430.553 2.293 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740771042 PYZAHYIZUFEQMS-QFIPXVFZSA-N 441.557 2.445 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1740937948 TYAFMLBRYJYMRK-SFHVURJKSA-N 432.546 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1740991345 UNZCBRBSBXLKKB-RTBURBONSA-N 443.573 2.132 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOc1ccccc1 1744097650 UQAIEQVRDROQRU-LJQANCHMSA-N 426.521 2.394 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)N(C)C)c1 1748666606 DJDWDNUIQWUXJU-INIZCTEOSA-N 448.527 2.408 30 10 IEEE COc1ccc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1748732697 GHZBLSQRLYYWCE-LAUBAEHRSA-N 447.536 2.264 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1748819451 OWHUHUZVUYUYIQ-QGZVFWFLSA-N 445.570 2.210 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCc1ccco1 1748829151 WQNMRTNEWGGAKP-UHFFFAOYSA-N 439.479 2.317 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CN1CCCC1 1748835462 DIOQULFDBYJQEV-UHFFFAOYSA-N 443.559 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)cc1OC 1748961245 ZARUPMYUEUSBSA-UHFFFAOYSA-N 437.500 2.457 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(Nc2cccnn2)CC1 1749037011 ABHBXUSLORHAHN-KRWDZBQOSA-N 427.578 2.409 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)CCS(C)(=O)=O 1749131800 VWXQMVJMHSROFM-SQNIBIBYSA-N 426.583 2.372 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1749140643 RSFPCLNIFXQHCN-CNNODRBYSA-N 430.553 2.281 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749209387 WAFBJIXAXXPPNS-PGRDOPGGSA-N 432.569 2.089 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1749239712 OIMMKNWCYNVSSI-SFHVURJKSA-N 425.489 2.321 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749242021 ZLYNDNJUJMAMTK-LEWJYISDSA-N 432.613 2.327 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1749557516 KSEKDXKQWCODKW-VAMGGRTRSA-N 430.597 2.148 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1749573709 ILWIZJLNYQJKRD-IBGZPJMESA-N 428.581 2.443 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@](=O)C(C)(C)C)C1 1749721791 UFPBUERIBIOMMC-KWBVWKIGSA-N 440.610 2.331 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(Cc2ccccc2)c1 1750058673 HQKRADXTGUDCJY-GOSISDBHSA-N 432.532 2.403 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(F)(F)F)CCOC1 1751024671 OVTMMGLGQGVXEC-CRAIPNDOSA-N 428.459 2.058 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CC(F)(F)F 1760201958 ONJOOWNNBQOASH-UHFFFAOYSA-N 443.433 2.161 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760203244 YOXVJUBGXXKBHN-HXUWFJFHSA-N 426.542 2.185 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 1760255666 GAOBDVLQMBJAAB-UHFFFAOYSA-N 438.919 2.263 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(=O)NC 1760317649 INPAPXVMVPJQLW-APWZRJJASA-N 428.493 2.407 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1760337563 JJZSJKVAEKNCMQ-UHFFFAOYSA-N 426.569 2.333 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC3(CCOCC3)C2)CC1 1760396353 BCTKVXSUALVLIH-MRXNPFEDSA-N 437.610 2.498 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1760469908 IVKHKJSVBJHFQJ-UHFFFAOYSA-N 432.488 2.482 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CN(C)C1=O 1760500853 BNUOQUUPDHNMQY-HSZRJFAPSA-N 437.548 2.446 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760521389 RDLFULNGVGQZCS-TVPLGVNVSA-N 444.580 2.096 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760562324 GAYVJHXXGJYLRT-SFHVURJKSA-N 428.562 2.087 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760564081 OESLELINUOLTNN-HXUWFJFHSA-N 428.566 2.083 30 10 IEEE CC(C)(Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1760808912 BOMWRLRNWWVUHX-FQEVSTJZSA-N 430.488 2.480 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@H]1C 1761880823 KCGNARGMQBMIJR-RBUKOAKNSA-N 438.580 2.106 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC(=O)N1C 1763179333 URDSTWFBVACOCN-QFBILLFUSA-N 438.532 2.211 30 10 IEEE CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1764257502 ZPQLATIGTCOLSN-OALUTQOASA-N 425.537 2.190 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)C1=O 1769054542 NJTBDGJCVHYSAV-FQEVSTJZSA-N 430.459 2.443 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1769097676 NNTWZMWSCDGCHW-GOSISDBHSA-N 433.520 2.022 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CCO1 1770751216 CIMRUOPRBWJACM-LJQANCHMSA-N 442.495 2.031 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2ccccn2)CCC1 1771222830 MVZPZPZJIMDMGV-QZTJIDSGSA-N 426.521 2.248 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)CC1 1849729248 SCHPHFKCSLXTDW-HXUWFJFHSA-N 444.601 2.314 30 10 IEEE Cc1cc(N(C(=O)[C@@H]2CCn3cnnc3C2)c2n[nH]c(N=CN(C)C)c2C#N)ccc1F 1853111931 IJGKUOYIYMGXGQ-CQSZACIVSA-N 435.467 2.469 30 10 IEEE CN(CCC#N)[C@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1=O 1854306993 XFMUBHYNAIXRSE-KRWDZBQOSA-N 425.938 2.257 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2cnccn2)CC1 1854425101 LJJTWCHBIPJMRY-UHFFFAOYSA-N 426.498 2.327 30 10 IEEE C=CCn1cc(OCC(=O)c2ccc3c(c2)N(CCC)C(=O)CO3)c(=O)cc1C(=O)O 1857890151 KDKKWTNIPNQRNY-UHFFFAOYSA-N 426.425 2.130 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCCN(c2nc(O)cc(-c3cccnc3)n2)CC1 1858581457 OASNOUVLMBRSOK-UHFFFAOYSA-N 436.497 2.017 30 10 IEEE CCCCCCCCC(=O)Nc1nc(N2CCOCC2)nn1[C@H]1CCS(=O)(=O)C1 1869952441 CSXCTIKLPVNCRI-INIZCTEOSA-N 427.571 2.163 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@H]3CCCO3)c(C)cc2=O)nc1C 1870088069 LZCSUFGWVVVZBH-OAHLLOKOSA-N 447.513 2.461 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccnc1 1874239281 ZODGXBVVWKZZJR-WSDLNYQXSA-N 427.486 2.428 30 10 IEEE CCN(CC)c1cccc(OCC#CCNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1 1891551559 JDCQORFYPACZRT-UHFFFAOYSA-N 443.525 2.338 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1985991380 NTRGRUTVJBMNJJ-RBZFPXEDSA-N 427.498 2.036 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2010227992 WELUUEPTVRIWNI-ZACQAIPSSA-N 439.553 2.027 30 10 IEEE C=C(Br)CS(=O)(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1 2010580548 NSUVHHZFFWEOHY-STQMWFEESA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065464237 WOYXGYSSBKYWAE-UHFFFAOYSA-N 434.342 2.143 30 10 IEEE Cc1nc(S(=O)(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c(Br)n1C 2163712748 DQZRZKNXMWNYDT-QWRGUYRKSA-N 446.176 2.204 30 10 IEEE N#CCc1ccc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2195348375 KWKOPRIZMHTVPK-IBGZPJMESA-N 430.482 2.437 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2COC[C@@H]21 2224130576 FIVMAWKMJPTCTA-ULQDDVLXSA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@H]21 2224130579 FIVMAWKMJPTCTA-ZACQAIPSSA-N 432.326 2.394 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243422914 OATATNQYTHPWIM-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)(C1)C2 2247293351 QHVXGFKVRBNRDV-SXSPYAJSSA-N 426.517 2.049 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247833615 JETWBJQCTSHLCF-OLZOCXBDSA-N 437.371 2.333 30 10 IEEE CON(CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)C(=O)OC(C)(C)C 2248395277 JIXMHTFGDSTEPL-UHFFFAOYSA-N 441.721 2.193 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CO[C@H]1C2 2254829802 NWWUCAYMGAUCFF-FDGPYGQJSA-N 440.544 2.295 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)co2)OC1(C)C 2255544045 SOHUGGVQQGBRGH-LBPRGKRZSA-N 430.232 2.110 30 10 IEEE C[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255656482 AZLNMTBXNPOAHO-YOEHRIQHSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255658450 DIORMJQUHISEDT-AWEZNQCLSA-N 435.305 2.259 30 10 IEEE CON(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2255678322 BJDJKLGZLIRKIJ-UHFFFAOYSA-N 433.314 2.004 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696093 PESNTOWMSNEYTH-AWEZNQCLSA-N 434.346 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2255878302 WNXSBLWJSWHZGH-UHFFFAOYSA-N 429.326 2.074 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021393 IGJOVROMQDUELM-KBXCAEBGSA-N 434.342 2.487 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)co2)OC1(C)C 2256922972 GJDHDXPQJMFRJQ-KRWDZBQOSA-N 429.278 2.369 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256926050 ZXJWKJSFFXTRCV-HNNXBMFYSA-N 446.334 2.232 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C 2257494165 INJLKKUKAKQEQF-INIZCTEOSA-N 431.342 2.428 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267141843 MSZIRCOVQDZXQV-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267145018 BARWHDQODXEPTH-IJEWVQPXSA-N 446.357 2.084 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)nc2)OC1(C)C 2267270050 JGMBPYCMDPKMLQ-FQEVSTJZSA-N 432.333 2.231 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2267502890 VBDBFHGNBSLWLR-CABCVRRESA-N 448.373 2.237 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1)C(=O)OC(C)(C)C 2267547927 CHUXOOWQWQICNY-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267598047 VXSVEWAKSGRHSW-QZTJIDSGSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1CO 2267822799 ZYSHOQOFWKGAAA-BEFAXECRSA-N 447.385 2.280 30 10 IEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268651027 MXMVTEFTBPAEMA-MPGHIAIKSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@@H](N)C#Cc1ccc(Br)cc1 2278814901 YDDIXFSSEOEBNZ-HOTGVXAUSA-N 445.379 2.456 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2312856219 XAEYZQBHPDDHHH-NFAWXSAZSA-N 449.382 2.488 30 10 IEEE COC(=O)c1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCC(N)=O)cc1 2329727529 MAIDQEBHTUKJRC-UHFFFAOYSA-N 427.461 2.254 30 10 IEEE CC1(C)OB(c2cnc(OCC3CC(S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2381127962 MXJLVCAATWSFIW-UHFFFAOYSA-N 446.172 2.345 30 10 IEEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(C(=O)OC)cc2)cc1 10012592 BHIQORFNIWDKRJ-UHFFFAOYSA-N 433.511 2.064 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1O 21316513 MBGBUFOXXUWRGN-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE C=CCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 108704632 PKUZFBIWRZKJOO-INIZCTEOSA-N 440.568 2.364 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CN4CCCCCC4)C3)CC2)o1 303743787 JGXLPJZIUUDPAC-HXUWFJFHSA-N 428.581 2.091 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)CC1 435785213 AYASYCXHCPTNPH-ILWGZMRPSA-N 436.537 2.303 30 10 IEEE COc1cc(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1C#N 460589645 WGWUDRQBQSQYRC-UHFFFAOYSA-N 427.404 2.180 30 10 IEEE CCN(CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 462121580 PIBGCGQOQJIDOJ-CYBMUJFWSA-N 447.927 2.083 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCc3ncccc3O)c2)c1 473048595 KNOCPAAYLKDWRH-UHFFFAOYSA-N 429.432 2.229 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 477998402 XUAACDRQDCXELS-MRXNPFEDSA-N 439.541 2.425 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 508825763 LJYXQYFIJALMRD-PKOBYXMFSA-N 431.562 2.099 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 508951874 OFWZUMWDKZXKGC-VQIMIIECSA-N 445.951 2.485 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 521022796 QEQILAUIZJZCIJ-NRFANRHFSA-N 446.507 2.361 30 10 IEEE COC(=O)c1sc(NC(=O)C[S@](=O)Cc2ccc(C#N)cc2)c(C(=O)OC)c1C 526889540 QAIQCOLXJGGVJP-GDLZYMKVSA-N 434.495 2.389 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccs2)c1=O 533579478 CMFDTHZKEWEMGP-UHFFFAOYSA-N 438.578 2.303 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCSC 537395829 GXZDELRROHVQOB-UHFFFAOYSA-N 445.610 2.493 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 541934741 SHGMSOBHRRCURC-UZLBHIALSA-N 427.567 2.101 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 553236737 AKTKJPMWKZOZNV-INIZCTEOSA-N 428.489 2.021 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)CC1 570208204 ABNWAOLISKJOOM-UHFFFAOYSA-N 430.415 2.050 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 614902476 VHNAGEXEUHUSGU-HNNXBMFYSA-N 448.491 2.418 30 10 IEEE C#Cc1cccc(N(C)C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)c1 728481776 NRQMVMRGROKHEJ-UHFFFAOYSA-N 449.326 2.447 30 10 IEEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730143132 RCGSNFRUSWXHMZ-INIZCTEOSA-N 426.970 2.376 30 10 IEEE Cc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NCc1ccccc1 732663937 HZBGYIAVPXAGTJ-OAQYLSRUSA-N 438.553 2.286 30 10 IEEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 743735541 IPJSTOOBTVGMCA-RBUKOAKNSA-N 448.589 2.264 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 743835079 HWHNXGWPVVZYDG-UHFFFAOYSA-N 442.541 2.135 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3cccc(C#N)c3)C2)CC1 749350531 FHXWZHRKPRERMS-HXUWFJFHSA-N 440.544 2.419 30 10 IEEE CC(=O)N1CCN(C(=O)[C@@H](C)ON=C(N)c2ccc(COc3ccccc3F)cc2)CC1 749791925 LYLUEPORMYCGCO-MRXNPFEDSA-N 442.491 2.121 30 10 IEEE CNC(=O)c1cccc(CCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 751635243 JSQDVWSENOHDCD-LKUDQCMESA-N 442.541 2.430 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C)CC2)c1 751927155 XAZXOTVDZHODQM-GOSISDBHSA-N 445.589 2.445 30 10 IEEE C#CCN(C(=O)Nc1cc(OC)c(Br)c(OC)c1)[C@H]1CCS(=O)(=O)C1 776024710 HCXDCIYCHNEBKR-LBPRGKRZSA-N 431.308 2.121 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)ccc1NC(=O)C1=S=CC=C1 779318972 SHWODQDOMXJEHG-UHFFFAOYSA-N 431.539 2.355 30 10 IEEE CN(c1ccc(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 780182587 QLACBYZIWAVDPD-HXUWFJFHSA-N 438.502 2.070 30 10 IEEE CN(C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C)C(C)(C)C#N 782392458 OALSPWPREGGCKK-GZWGPKMKSA-N 437.537 2.389 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 782416791 UXHTYEYNPBBNLH-KRWDZBQOSA-N 429.473 2.233 30 10 IEEE C=CCS(=O)(=O)NC(=O)c1cc(Br)cc(I)c1 797185226 SBKGFBDAUJNFPU-UHFFFAOYSA-N 430.061 2.299 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1 799770156 PBILXCNFDVQASC-LJQANCHMSA-N 437.521 2.163 30 10 IEEE CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 801909248 KLHQXFWLQUHQLQ-UHFFFAOYSA-N 446.515 2.318 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 809896448 MNCABFRXGKMOKO-KRWDZBQOSA-N 448.568 2.077 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)c1ccc(Cl)cc1 810470358 FJRJAHPDDHYYLX-INIZCTEOSA-N 449.916 2.028 30 10 IEEE N#CCCn1ncc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1-c1ccccc1 856614942 WXQRYZDRZKDGGB-VQTJNVASSA-N 428.496 2.454 30 10 IEEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 915995471 UFTCYSRTGLENMF-UHFFFAOYSA-N 431.499 2.170 30 10 IEEE CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916776092 SPLPLXIYGIZXQS-IBGZPJMESA-N 428.514 2.028 30 10 IEEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccccc1-c1ccccc1C#N)c(=O)n2C 921182624 LXDHNCUUSYLXJG-UHFFFAOYSA-N 443.463 2.219 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1132051767 QSXJBKSUBMBNHI-UHFFFAOYSA-N 447.451 2.216 30 10 IEEE CN(CCOc1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1)C(=O)OC(C)(C)C 1137370861 CFZLYQVITPIXQM-UHFFFAOYSA-N 430.505 2.130 30 10 IEEE COC1(OC)CC2(CN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[C@@H]2C(C)C)C1 1163813192 QHLGDJDXFOYQLM-GOSISDBHSA-N 435.546 2.047 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286378272 QRSYHZKRXCRZHY-UHFFFAOYSA-N 432.513 2.172 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)COCC2)[C@@H]1CCS(=O)(=O)C1 1286393961 MSYKJCJTWNKGNN-OAQYLSRUSA-N 442.585 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)NCC(F)(F)F 1286416677 UVBCDKSEOYSJPI-UHFFFAOYSA-N 433.434 2.225 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286601601 WNUSNDSHRWOYJB-ZNMIVQPWSA-N 435.541 2.209 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286832674 NKQBZKJHCJYKOA-DOTOQJQBSA-N 436.607 2.174 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1288775511 FIIOMIHEYMAHTA-RHSMWYFYSA-N 434.591 2.149 30 10 IEEE N#Cc1c(NC(=O)c2cnc(Br)c(Br)c2)nc2n1CCOC2 1289683896 QBVUSLCETJKFRM-UHFFFAOYSA-N 427.056 2.457 30 10 IEEE C=CC1(CC(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)CN(C(=O)OC(C)(C)C)C1 1292286155 LMDZYIHVWAHSQV-OAHLLOKOSA-N 441.619 2.277 30 10 IEEE CCOCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297470132 JPRNOKCDWGVAML-LJQANCHMSA-N 442.568 2.187 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1298484406 ZPZAVPVPFKIFGY-UHFFFAOYSA-N 426.496 2.250 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](c2ccccc2)c2nc[nH]n2)s1 1299112373 AFGOCNSFLFXKIR-SFHVURJKSA-N 431.543 2.121 30 10 IEEE COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CCC2 1300527864 CKBMRTOCQHNUSR-HXUWFJFHSA-N 440.521 2.496 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2C)CC1 1300683495 OQKKVAMFTBODDP-SFHVURJKSA-N 437.523 2.403 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC)C1 1300872496 FVVYQHRSDGASRV-FJIDUMEYSA-N 425.599 2.496 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301139178 LVQCKNWUYOFEFA-MRXNPFEDSA-N 448.568 2.125 30 10 IEEE COCc1nc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)cs1 1301209219 DTELNRJVUADURV-KRWDZBQOSA-N 437.529 2.388 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)CC1 1301220047 WLIRWIYAUPNVQT-UHFFFAOYSA-N 428.510 2.405 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1301294440 QCXOGKMYAWAKBX-PBHICJAKSA-N 439.532 2.384 30 10 IEEE CC(C)CN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1303150242 GOBHFICGUMAFQI-CZIZESTLSA-N 426.525 2.076 30 10 IEEE Cc1cccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1304247478 GDYHOMQYVQDOGA-HKUYNNGSSA-N 447.499 2.430 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 1307851862 PBOZWOAUPKHVCT-QFIPXVFZSA-N 430.508 2.365 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 1312337027 URUWFGGPRPMZCP-UHFFFAOYSA-N 426.951 2.436 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1 1312936098 FYIZDQVJMBFKTM-ARFHVFGLSA-N 428.352 2.283 30 10 IEEE CCCNC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1313477756 AOECBFNPSSOKGY-UHFFFAOYSA-N 444.543 2.455 30 10 IEEE CN(CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1314866267 DTMOXFDPZIHFQC-INIZCTEOSA-N 442.417 2.219 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2nccc(C(F)(F)F)n2)cn1 1314898603 CRPSDTMUPNNJOK-QGZVFWFLSA-N 435.389 2.172 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1316114155 CNDRKBOJEBTGDW-HXUWFJFHSA-N 447.543 2.287 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1347754089 UWNRXMOWFQTOLW-HNNXBMFYSA-N 448.372 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC(=O)N1 1358876292 HCJFFFUYNABQTP-CHWSQXEVSA-N 432.322 2.453 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1358915012 OTSSXZQPQUCHQZ-UHFFFAOYSA-N 444.605 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCN(C)C1 1358987076 QXNAGQFMPQUDMN-VWLOTQADSA-N 428.540 2.331 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359154168 GJQYQYVTADHOQV-UHFFFAOYSA-N 427.896 2.438 30 10 IEEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359218288 DOGIRQVXINJLEV-UHFFFAOYSA-N 430.578 2.070 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359285601 UNXGHUHIHWLMLM-UHFFFAOYSA-N 449.577 2.017 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1360470041 KYJPXINEHARSSW-GFCCVEGCSA-N 444.341 2.370 30 10 IEEE C=CCc1ccc(OCC(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c(OC)c1 1436565737 PBNMDBXXZWBZNZ-HNNXBMFYSA-N 425.425 2.168 30 10 IEEE C#C[C@@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1449785377 IHFDGGFPMBSBIV-QHCPKHFHSA-N 447.601 2.341 30 10 IEEE Cc1ccc(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1450199814 PGJJGTGOIKGLLA-HNNXBMFYSA-N 438.550 2.220 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)ccc1F 1455427911 RMBXVHNRMVZOJU-MRXNPFEDSA-N 426.897 2.277 30 10 IEEE C#CC[C@]1(C(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1455758442 MQSCNMHDJDROGE-GAJHUEQPSA-N 443.548 2.369 30 10 IEEE COC(=O)[C@H](COC1CCC1)N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 1463315014 CCAYTGFGLLZZKL-HNNXBMFYSA-N 431.308 2.052 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(F)(F)c1ccc(F)cc1F 1471731237 WPJVEEJSNYITDS-NSHDSACASA-N 429.395 2.411 30 10 IEEE N#Cc1ccc(NCC(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)nc1 1471988865 VBHQFJPQWRDUMM-UHFFFAOYSA-N 427.486 2.012 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 1474682029 RZJIULNWZYOTLM-HSZRJFAPSA-N 432.634 2.010 30 10 IEEE CCOc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1502880550 DCANSLHPJYGHQV-IIBYNOLFSA-N 446.577 2.465 30 10 IEEE CN(C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(C#N)C1 1503405353 VBIAOAXYNFPMFI-OFNKIYASSA-N 440.548 2.499 30 10 IEEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(CC#N)CC2)n1 1503673324 WNXFRKFPKHPLBT-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cccs1 1507524118 SMUHHRYGHMPYDZ-QVKFZJNVSA-N 434.529 2.348 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2nnnn2CC2CC2)c1 1507546627 GXJREFGDUSJMOY-UHFFFAOYSA-N 447.547 2.077 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507595624 SEVHCJDGBAWRJH-LJQANCHMSA-N 427.530 2.156 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507628507 OQXDDNOWEMQTRF-FQEVSTJZSA-N 442.585 2.439 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507681401 XOXLHTFTDKLJHF-NRFANRHFSA-N 438.576 2.356 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1507715834 IWVCAADZYJKXAT-IBGZPJMESA-N 444.967 2.213 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507764527 NBGQZFLJGQXGEX-MGPUTAFESA-N 435.525 2.099 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1507868902 QBEIKSRYNRVPIT-HOTGVXAUSA-N 429.974 2.156 30 10 IEEE C=CCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507953091 FKJCZRGDNHMWTO-QHCPKHFHSA-N 433.597 2.445 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(c2cnn(C)c2)CC1 1508084538 OKXOFIWIORKISL-UHFFFAOYSA-N 425.562 2.350 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC)C(=O)C1 1508102835 AYQRHRYCBNGDCR-LJQANCHMSA-N 425.533 2.454 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1510294138 CQGDODIULPGYRC-SFHVURJKSA-N 438.532 2.215 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1510584923 OFVJUYMARRKNBE-VXKWHMMOSA-N 426.496 2.394 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(SC)CCN(C)CC1 1513912847 COLBUGAEWQRJDT-UHFFFAOYSA-N 440.621 2.261 30 10 IEEE CCCCOCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1514525678 YEKFUTSHWMNJAG-UHFFFAOYSA-N 449.563 2.479 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CCCN1C(=O)OC(C)(C)C 1519915698 HHQZAVNJXWYXLY-LIRRHRJNSA-N 431.455 2.449 30 10 IEEE Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)ncc1C#N 1530656793 NHEOTPFQYVXOEE-IBGZPJMESA-N 442.273 2.430 30 10 IEEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1533174197 IPPFAGRVFWECEH-NPMXOYFQSA-N 449.515 2.273 30 10 IEEE COc1ccc(CC(=O)Nc2ccc(CCC#N)cc2)cc1S(=O)(=O)N1CCOCC1 1538268162 FFTGBRGKGHOJSH-UHFFFAOYSA-N 443.525 2.353 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1539359893 SKYKWXNSEJINAO-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1539627323 IXCFBHDLKPIHJQ-SCTDSRPQSA-N 433.553 2.046 30 10 IEEE C#CC[C@@]1(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CCCN1C(=O)OC(C)(C)C 1540132024 UUWJAKNIIGIMFM-QHCPKHFHSA-N 440.500 2.470 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(OC)cc2)C1 1540890637 HMDROPNDNFYCCJ-RTBURBONSA-N 427.505 2.098 30 10 IEEE CC(C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1541705746 OUFPRNAVJVAGEF-UHFFFAOYSA-N 427.553 2.026 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1543031014 IBARGZOOKRMGPI-LJQANCHMSA-N 445.593 2.095 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1555100858 AYAHXWXIVYEBHR-JOCHJYFZSA-N 444.511 2.030 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1555267208 QHCXQYXCGRXVFC-MRXNPFEDSA-N 426.418 2.486 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 1557438306 QDSPGDYOPYTWRS-QAPCUYQASA-N 435.509 2.184 30 10 IEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C1CCN(C)CC1 1558507761 UQDZDLBCKOQOHD-UHFFFAOYSA-N 433.555 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587652341 XQPACMMOQDGIPC-HKUYNNGSSA-N 431.548 2.223 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)CC1 1587798952 WWPAPGPECPZEKK-IRXDYDNUSA-N 429.487 2.490 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1ccccc1 1587861652 PDGRYWLMOZQJNX-FQEVSTJZSA-N 445.589 2.093 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1588113064 FHRQFSYSNRROSD-SSEXGKCCSA-N 426.542 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccncc1 1588194671 YYCHJVCIIYTNBE-UHFFFAOYSA-N 433.537 2.449 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1589088877 LGSNNOJNZXSLLL-SFHVURJKSA-N 442.564 2.415 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1594498889 YOKJRMHGVHTRES-QZTJIDSGSA-N 437.610 2.450 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1594807151 FYPMRXZRPKCLIX-CQSZACIVSA-N 441.458 2.211 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC1CC1)C1CCCCC1 1595550661 GTOWYRUDXJECOZ-KRWDZBQOSA-N 435.594 2.032 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C(F)(F)C23CCC3)C1 1595674912 VSCQXFKUGXKNHB-RBSFLKMASA-N 445.536 2.105 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)cc1 1597602479 XLCBDZUBKBNRCO-UHFFFAOYSA-N 446.504 2.338 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1597707726 SHYIHOQISSLRHW-AUOLZGSSSA-N 443.529 2.478 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1Cc1cnnn1C 1619911171 JZEIJTSQCCPFBC-UHFFFAOYSA-N 445.325 2.251 30 10 IEEE C#CCN1CCN(C(=O)CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 1620320504 DSYKQNSYYWOZOM-FGZHOGPDSA-N 440.588 2.147 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCCCCO)cc1 1620352219 NPSAULFLAVKIKJ-MSOLQXFVSA-N 427.461 2.005 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccccc2NS(C)(=O)=O)CC1 1630018203 MJSAOWNFVWBIMF-UHFFFAOYSA-N 435.546 2.325 30 10 IEEE CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1630467752 XBEHLFNHBHCEDG-KXBFYZLASA-N 426.521 2.454 30 10 IEEE Cn1ccnc1[C@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1 1636069979 RMQICYRMLHRIBV-OXQOHEQNSA-N 448.531 2.212 30 10 IEEE C=CC[C@@H]1CCN1C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1636893583 ICJXTGKHDWCMSD-CQSZACIVSA-N 429.336 2.261 30 10 IEEE N#Cc1cn(CCC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c(=O)nc1O 1639755292 DJEZRDKGDOLXDG-AULYBMBSSA-N 435.253 2.175 30 10 IEEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1642543937 ZVMYLNCBXMDPJN-GOSISDBHSA-N 427.530 2.174 30 10 IEEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C(F)(F)F)nc1 1644887780 XZKQVMCPGIKBEK-NSHDSACASA-N 426.420 2.406 30 10 IEEE Cn1c(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc(=O)n1-c1ccccc1 1645069792 LYGUMXKJCWPRJY-GOSISDBHSA-N 427.505 2.379 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCS(=O)(=O)C[C@H]2c2ccccc2)c1 1654922343 HMBQUDUMQRRKSZ-FQEVSTJZSA-N 425.510 2.178 30 10 IEEE C#Cc1cccc(CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)c1 1662503500 RCXCLGRYYIVZBI-UHFFFAOYSA-N 430.454 2.119 30 10 IEEE C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1 1683880141 HABBZZGPXDIXHJ-HNNXBMFYSA-N 447.586 2.463 30 10 IEEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1687074143 CNLUCQUFLUGKRI-UHFFFAOYSA-N 446.367 2.058 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCCS(C)(=O)=O)c1 1689872215 RNELGCBXOFQXQN-UHFFFAOYSA-N 445.589 2.358 30 10 IEEE C#CCCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1689941969 YTZXJTUCPBXUJI-JTSKRJEESA-N 433.553 2.447 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNC(=O)C(C)C 1690005157 UEFNVDDOOPWCCE-UHFFFAOYSA-N 431.338 2.271 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1690125845 PIQXMWASUIFPII-UHFFFAOYSA-N 429.590 2.096 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1690169564 GPLWYLNPXZYSOS-UHFFFAOYSA-N 449.584 2.398 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690360979 DLMQNZFEGAQCIB-INIZCTEOSA-N 444.502 2.226 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1690485655 ZFSZZLOSKYPEKG-QGZVFWFLSA-N 448.568 2.254 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1690508579 LKDPGTOZDLYNNG-QFBILLFUSA-N 426.608 2.106 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1690567611 IZZATFCGDKCMJY-QHCPKHFHSA-N 425.533 2.399 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1690642242 DLTMGDDZGZQBIJ-OAHLLOKOSA-N 432.887 2.170 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC(F)(F)CO2)C1 1690714959 ZIGRBSMWMQZATE-QAETUUGQSA-N 428.480 2.208 30 10 IEEE CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1693923743 UXTYPCOAXLNIKV-AVRDEDQJSA-N 425.537 2.274 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1694418416 AUOLFWWAYMTHDJ-IBGZPJMESA-N 439.564 2.316 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1696842223 FUTFIDXRFSPPMS-RTBURBONSA-N 429.546 2.399 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705525913 ZEVOYDVWRDGORZ-DZGCQCFKSA-N 431.338 2.174 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCCC1 1705552573 ZWLPVXZSDOQTAG-KRWDZBQOSA-N 433.553 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1705579865 WOPAHIXSYHIDHB-UHFFFAOYSA-N 435.553 2.477 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1705618445 HVDBMZZAXWSQAR-QZTJIDSGSA-N 439.626 2.328 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1Cc1cnnn1C 1705619209 KJUHYNGHULPWLL-UHFFFAOYSA-N 438.511 2.152 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705625734 UVPPQJDNICCDCA-GOSISDBHSA-N 425.508 2.429 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1705875799 GRJFGQDJPLPPFT-MRXNPFEDSA-N 432.546 2.424 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1705879677 IDBQUODNKJAQPK-GOSISDBHSA-N 444.561 2.273 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1705880534 IKHNGMCPMAQNDC-ICSRJNTNSA-N 440.548 2.316 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](COC(C)C)C1 1705904872 AVAQNWGPXLYXFA-INIZCTEOSA-N 449.502 2.080 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705907216 DSMVNWODARNCAR-XLIONFOSSA-N 427.549 2.235 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1706070570 MOISJHJQQWHCJF-YCRPNKLZSA-N 446.939 2.263 30 10 IEEE CC(C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706293954 BLKODZWBEVQBTB-RWNPKEDZSA-N 428.537 2.181 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)C1 1706934497 ATKLJXUFYGVLJN-AVRDEDQJSA-N 430.553 2.193 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOCC(F)F)n1 1707601372 MQRAQSQQOPSGDL-KRWDZBQOSA-N 431.491 2.497 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722332801 OYOINYAGCJCQNW-FCEWJHQRSA-N 432.546 2.462 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722369300 XLJBMOWUVFCCMD-AZUAARDMSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(=O)(=O)CC 1722391599 PZRBNOBWGYBKHE-UHFFFAOYSA-N 439.585 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNc1nccc(C(F)(F)F)n1 1722393505 DGMMCYRNCNANSM-UHFFFAOYSA-N 441.421 2.119 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)SC 1722417957 ZGJYTZIJDDVNIA-GJZGRUSLSA-N 439.582 2.419 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1722435728 SWBCNEGWNLEARE-UHFFFAOYSA-N 444.543 2.237 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722524383 IDHINLYSJFYUDS-KRWDZBQOSA-N 430.459 2.196 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722583679 QRANYEDRNOZQGG-YYIAUSFCSA-N 425.599 2.209 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1723772196 KDFKSLRWEGETGJ-GFCCVEGCSA-N 427.431 2.238 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C1 1729094759 AMLPXDSNLXNQBO-SFHVURJKSA-N 446.577 2.009 30 10 IEEE CN(Cc1cc(Cl)ccn1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729391173 BLYHDTFPQXIETB-ZPHPHTNESA-N 427.896 2.367 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(CC#N)CC2)c1 1729736853 HMHUNBLVKGKJAB-LJQANCHMSA-N 444.561 2.216 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)ccc1OC(F)F 1740629492 PMCDKXSMJZTJPD-UHFFFAOYSA-N 443.454 2.245 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1740692938 PYAOWJMKHNBWKY-KRWDZBQOSA-N 443.983 2.301 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(OC)cc2)CC1 1740696540 WMWMXSUYXMBEFQ-LJQANCHMSA-N 425.533 2.015 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740713414 LBJUNSMLAVEENO-LPHOPBHVSA-N 438.561 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740750615 DHFDIDWHUZIVSP-TZIWHRDSSA-N 432.613 2.373 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1740798398 IETJXSNXRFHGSR-UXHICEINSA-N 445.589 2.404 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2)C1 1740982650 VPJVFFWBRSKKHV-HKUYNNGSSA-N 434.537 2.343 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1748709220 RERLTTCQNAEVII-UHFFFAOYSA-N 426.546 2.138 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1748771033 FKWZICBTSHWYMO-SFHVURJKSA-N 446.573 2.044 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748923174 WWRXIONOUDSCDB-UHFFFAOYSA-N 426.521 2.402 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC1CC1 1748925284 GHZDAPUNZGCDAS-UHFFFAOYSA-N 444.580 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)CC1 1748983749 BPVKRIYCSXBYCK-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1749008978 DXORMRSDOSQNAO-NTKDMRAZSA-N 443.592 2.079 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@H](COC)C1 1749083361 DZIYLMVSCUMWRI-ZFWWWQNUSA-N 444.374 2.345 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1749084171 FLZLFPGZLIPTNM-ZHRRBRCNSA-N 427.505 2.146 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC)[C@@H](C)C1 1749115938 XJOCCYXQBYGNSF-JYJNAYRXSA-N 428.375 2.441 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1749354774 YYLMUNRKRKZPCT-UHFFFAOYSA-N 425.537 2.490 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1749457682 OGIARKHMZSADGL-XLIONFOSSA-N 430.505 2.235 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749459414 JEVWTELNSVGLRS-HXUWFJFHSA-N 431.581 2.431 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCN(C(C)=O)CC1 1749485402 TZYLCZWVECFGGY-UHFFFAOYSA-N 435.532 2.386 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1749573765 SQJSUECUIQMJJY-UHFFFAOYSA-N 446.559 2.206 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOCc1ccccc1 1751202533 DGXORXIPFCBYOR-KRWDZBQOSA-N 446.577 2.235 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCOCC1 1760095316 LMEHKHLECHGWPS-TZIWHRDSSA-N 436.560 2.046 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1N1CCOCC1 1760179342 QLZYAUZJBGXAFU-UNMCSNQZSA-N 439.560 2.265 30 10 IEEE C#CCN(c1nnc(CC)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760186743 QPHKLLQQLYNYHO-HSALFYBXSA-N 435.638 2.225 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)CC1 1760264416 MPJBXLGMUSFYPA-QFIPXVFZSA-N 445.951 2.071 30 10 IEEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1760426666 ZNWUXHUOQSHKHK-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1760450115 DMMHMGRNSCXRGA-IBGZPJMESA-N 443.523 2.476 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1760457391 QFJAMUHJQOXBDS-UHFFFAOYSA-N 429.550 2.366 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@@H]1CCOC1 1760464707 NCQNRLCLTSSOHN-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1760520302 JOZQBUPSBIYJQI-KRWDZBQOSA-N 434.500 2.309 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1761217051 DIIWXQWSSPPOPP-OAQYLSRUSA-N 428.468 2.414 30 10 IEEE C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1761409818 FPLIVIXSWVUGDW-IRXDYDNUSA-N 427.528 2.069 30 10 IEEE C[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N(CCC#N)CC2CC2)COCCO1 1761577422 UAEXOQJDLIOPGX-OAQYLSRUSA-N 444.561 2.205 30 10 IEEE C[C@@H]1C[C@@H](C)CN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1762722168 FJWUUSKXRICYDN-QWFCFKBJSA-N 426.569 2.165 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1763266342 DRAHTGWNJQRGAY-YMRXKLBXSA-N 439.289 2.018 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC 1763439233 DYXCYRQLHPEPTA-OXQOHEQNSA-N 440.548 2.349 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1764060103 GIMYJAWVDKMXAN-QRQLOZEOSA-N 431.585 2.105 30 10 IEEE CCC(CC)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1764062884 XLFDEMSVDYIPSY-WMZOPIPTSA-N 443.552 2.101 30 10 IEEE CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1767112025 NNXMJAWABSAZHX-XDOYNYLZSA-N 445.483 2.209 30 10 IEEE CN(CC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1767211169 HOIPZVFWNQIODD-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1767261654 PYAJOQCNKOURPO-UHFFFAOYSA-N 441.532 2.479 30 10 IEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2n[nH]c(C)n2)cc(OC)c1OC 1768254735 FMWJCBSQQCUPOP-CYBMUJFWSA-N 440.508 2.379 30 10 IEEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)cc1 1770243448 HBEKKAZITKBVBX-KRWDZBQOSA-N 426.521 2.335 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC[C@H]2CCCO2)CCO1 1770750963 BCAKVWVIQNQSIC-UXHICEINSA-N 445.495 2.311 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1771109866 HABUAFZUKVIHJR-UHFFFAOYSA-N 437.548 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCSC1 1772516653 WYHLLDRWODBHBU-QFIPXVFZSA-N 426.542 2.197 30 10 IEEE CC(C)CN1C(=O)COC[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 1848885245 XPNCIAJENXGBRK-YJBOKZPZSA-N 430.574 2.252 30 10 IEEE CC(C)N1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2(C)C)C1=O 1855999350 LVDAFNVSDKPBSG-SFHVURJKSA-N 430.936 2.478 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCO)cc(OC)c1OC 1862566905 GLSAJHMCUJCEMM-LJQANCHMSA-N 442.468 2.255 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(OC)c2)c1 1862705089 PTDUROXXLULPDA-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863330211 VQJMVKLFURFXSY-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869929645 JXVLXKPWFWRCQG-SPYBWZPUSA-N 445.516 2.111 30 10 IEEE CCCCCCCOc1cn(CCOCCO)c(CSc2nnnn2C)cc1=O 1870259913 OZOBVHQIBBLBOG-UHFFFAOYSA-N 425.555 2.022 30 10 IEEE C=CCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N2CCC(C(N)=O)CC2)n1 1871567926 VRMNOAATCXBQIS-UHFFFAOYSA-N 446.353 2.408 30 10 IEEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(N3CCCCC3)ncnc21 1873562870 WWCBTDOXZXDKKQ-UHFFFAOYSA-N 432.532 2.360 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC3(CC2)C[C@H]3C#N)cc1 1891765320 UCZRVHHXFVDDRB-FXAWDEMLSA-N 444.557 2.340 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1897268379 SWGABYXNXMAXNK-HUUCEWRRSA-N 425.526 2.086 30 10 IEEE C=CCC1(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1897681139 OFRWYPAQKCCHES-GJZGRUSLSA-N 425.526 2.039 30 10 IEEE CCC#CC(=O)Nc1c(I)nc(C)nc1I 1902384744 WTFGIICCDVLYAP-UHFFFAOYSA-N 441.010 2.346 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1984785256 XURWBXXJTKTGMS-KBPBESRZSA-N 429.514 2.330 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010541638 WTGUETALBDZUNY-SLFFLAALSA-N 428.533 2.105 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060620687 DLUGORKJWIVQKD-ZOFXXKQRSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060624861 CUANADAXBBRTQB-AWEZNQCLSA-N 432.330 2.361 30 10 IEEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661576 XLRLXOJWBUMUCM-CZUORRHYSA-N 435.330 2.248 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128730151 IKIIFHCBZLEXNF-SFHVURJKSA-N 447.385 2.057 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO 2214618899 KQQMIRCQCUYRNN-NCOADZHNSA-N 439.553 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@@H](O)[C@H](N)C#Cc2ccccc2Br)C1 2235730162 UVKFLLDFWRQSQF-KBAYOESNSA-N 439.350 2.372 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247836354 AXPOYADCYGXGJC-NSHDSACASA-N 442.753 2.016 30 10 IEEE C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405890 ULFIFOYNGGOKRA-FKIZINRSSA-N 437.371 2.362 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2[C@H]3OCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)C1 2255159643 NDOIIQSPZLMJDT-YTWZQJKCSA-N 449.548 2.090 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255541311 ZRHWXSTVJMSWMN-WMLDXEAASA-N 431.342 2.366 30 10 IEEE CC(C)[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255629228 SIKIWZZGGUBMDO-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1 2255677024 ALYIIECOHFOBQR-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE CC1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2255877505 JZZRODHIHFYIAJ-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2259346673 XHPVKRCGERYHMX-ZBFHGGJFSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@H]21 2267144678 ZCVLRAQQYKUBGU-CWRNSKLLSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267198201 VEBSATYFFORAET-UKRRQHHQSA-N 448.373 2.378 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@H]1NC(=O)OC(C)(C)C 2267482334 BRUWUHONXGOGDY-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267488535 UKDUCCLZWKQGGB-HNNXBMFYSA-N 446.357 2.108 30 10 IEEE COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2268719803 KHJLHXHJUAGJFR-UHFFFAOYSA-N 448.325 2.227 30 10 IEEE CC#CCN(CC(=O)O)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2300531692 KKZZLIVPCSFKSR-HSZRJFAPSA-N 429.517 2.092 30 10 IEEE C[C@H](C#CC(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2302421722 VSHZPHYWBFVNDE-MRXNPFEDSA-N 439.553 2.029 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1N 21319568 CTXMJZHJZPHJTF-LSFURLLWSA-N 433.444 2.456 30 10 IEEE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)N4CCOCC4)c(C)c32)cc1 40815211 ORULTPOVBQBJGB-OQKWZONESA-N 431.514 2.388 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1)Nc1ccc2c(c1)OCCO2 58994176 NOVFNVJQAFHYKV-AWQFTUOYSA-N 442.457 2.164 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 109016096 ZOWJETCRGBCLDP-OAQYLSRUSA-N 432.480 2.017 30 10 IEEE COc1cccc(CN2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254382816 YZHLEDGTSBGAOD-RTBURBONSA-N 446.550 2.371 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 427979287 HGZKIWWFYGIHSP-WZONZLPQSA-N 440.569 2.396 30 10 IEEE N#CCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 431185779 AVWAVXDXRSRSKB-UHFFFAOYSA-N 447.380 2.220 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 435930409 XGDNMJURALLUQJ-MRXNPFEDSA-N 438.303 2.168 30 10 IEEE CCN1CCN(Cc2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 500649627 VFFOMPXIOAXXTQ-UHFFFAOYSA-N 447.587 2.123 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 503131551 MLUGXAXTKWKVMI-YADARESESA-N 440.544 2.198 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 510100338 MPSIRPBVRDVLKC-UHFFFAOYSA-N 432.458 2.014 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 522381875 FCZUZPXDOYPIHB-GOSISDBHSA-N 426.538 2.216 30 10 IEEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541104997 GSUINQFGNSAHLE-CQSZACIVSA-N 441.923 2.214 30 10 IEEE CCOc1cc(CN2CCN(c3cccc(C#N)n3)CC2)nc2nc(C(F)(F)F)nn12 545506590 OMXNUTXEZWBOIG-UHFFFAOYSA-N 432.410 2.131 30 10 IEEE Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3cc(Br)cc(C#N)c3)c(O)cc21 563275101 DJHUKFRPDYWZQT-UHFFFAOYSA-N 437.275 2.018 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@@H](C(=O)OC)c3ccccc3)cc21 586314703 RQDKSCCAAPOFOO-DFXYEROKSA-N 427.478 2.444 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c(F)c1 586849858 KMDVTONIJVNTHX-UHFFFAOYSA-N 431.427 2.277 30 10 IEEE COC(=O)c1ccc(Br)c(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 742317157 WZPQPLMDKCEQBL-UHFFFAOYSA-N 439.287 2.465 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc(C(C)(C)C)n2)c1=O 748064618 WGZLIISCYBRIDA-UHFFFAOYSA-N 431.583 2.182 30 10 IEEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Br 749161908 LKBQDFPADDOYDW-UHFFFAOYSA-N 449.330 2.082 30 10 IEEE CC(C)C(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 755564940 XPKIPMCWTXYVHE-SFHVURJKSA-N 441.557 2.321 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c1 758227365 RPYYUUKEHLPECC-DQXCIKIGSA-N 435.550 2.055 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767874641 YUITXQBUZYXQQH-OAHLLOKOSA-N 441.509 2.070 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 769317951 XPKVSAXCEZFHFA-UHFFFAOYSA-N 427.574 2.267 30 10 IEEE C[C@H](NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccc(C#N)c1 775338009 NQVCQBCDHYWFDV-XATQLNLPSA-N 438.553 2.354 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)n1 788589914 XAHZIQSTMUQYIX-UHFFFAOYSA-N 441.557 2.386 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 794609762 FPOIXOLXCIMRAM-IBGZPJMESA-N 446.528 2.479 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCO2)c(OC)c1 802687811 YQFPNQJMSLXVQJ-HKUYNNGSSA-N 438.532 2.318 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(CC(N)=O)cc2)C1=O 809940379 IQYJOJRQUDCYLI-QGZVFWFLSA-N 428.489 2.121 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@](O)(Cc3nc(CC)no3)C2)cc1 856670798 NOGVJBCIYUPJKD-QHCPKHFHSA-N 441.532 2.347 30 10 IEEE C[C@@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)N(CCC#N)c1ccc(F)cc1 925344444 PYRUGTVAFFEBOT-OAHLLOKOSA-N 436.443 2.494 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N[C@H](C#N)c2cccc(OC)c2OC)cs1)C(N)=O 1127853264 FVNPTHYRDGCFOY-UKRRQHHQSA-N 434.543 2.440 30 10 IEEE N#Cc1csc(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)n1 1134255883 CFMHECBCGMEAQH-UHFFFAOYSA-N 433.287 2.470 30 10 IEEE C=CC1(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN(C(=O)OC(C)(C)C)C1 1136194541 IKGJZZRZWOFAED-UHFFFAOYSA-N 431.493 2.452 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)Cc1cc(OC)cc(OC)c1 1137499243 WCLNMJOFXACDLJ-FXAWDEMLSA-N 434.533 2.278 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)C3(NC(=O)OCc4ccccc4)CC3)C2=O)cc1 1139811155 FTQUCRCRLRUJSY-FQEVSTJZSA-N 432.480 2.234 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 1143259821 SXTIVNNBUDRIPD-MGPQQGTHSA-N 432.575 2.434 30 10 IEEE O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCC(F)(C(F)(F)F)C(F)(F)F 1161673383 FLXVJCHFFGTXCC-UHFFFAOYSA-N 427.276 2.207 30 10 IEEE N#Cc1cccc2c1CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)C2 1164211517 VQGJSUHIVNBTLU-UHFFFAOYSA-N 426.317 2.203 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2c2ncc(Br)cn2)CC1 1176357021 XDZZQWJQNFULSD-SJORKVTESA-N 435.370 2.068 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)c1 1286311544 NMUVVCJCSMEFGY-XDHUDOTRSA-N 439.560 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCSCC1 1286402754 HQPIREJTXZGAKV-UHFFFAOYSA-N 439.585 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 1286545889 CNZZFVSRHWMEAX-ZACQAIPSSA-N 446.577 2.432 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286546688 LCIJCRKGKSEPCA-FHWLQOOXSA-N 437.610 2.387 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC)C1 1286605438 WFHMPDWUYZMIQF-KRWDZBQOSA-N 428.493 2.408 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286688455 XJFUXNQKGGQRSX-CRAIPNDOSA-N 446.577 2.430 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cncn2)C1 1286805557 RDFXQLHGHFDTBA-KRWDZBQOSA-N 425.493 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1286821664 RQNIXYLRTIVGQH-UHFFFAOYSA-N 433.578 2.441 30 10 IEEE CC(C)(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1287044861 JJDWZIAYLSIAII-AWEZNQCLSA-N 432.475 2.181 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1290148099 WOQXBDXDHCPVMU-KRWDZBQOSA-N 425.514 2.314 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC[C@@H]2CCOC2)CCOC1 1296584649 KIMPFRFARMLKOI-UGKGYDQZSA-N 433.553 2.113 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1297800619 CRCACJYIFFZRAX-ZWKOTPCHSA-N 444.557 2.166 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300495186 FDTYZRQVHZZWCI-IAGOWNOFSA-N 434.587 2.103 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)Oc1cccc(F)c1 1300538939 WDVNDFPHABRHAA-HKUYNNGSSA-N 444.532 2.250 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)Oc1cccc(F)c1 1300538941 WDVNDFPHABRHAA-IEBWSBKVSA-N 444.532 2.250 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1300649296 KIDXHRRKMHKYGR-UYAOXDASSA-N 444.532 2.304 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1300780436 PUDRNLMLXHIPCJ-XMSQKQJNSA-N 443.935 2.269 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](NC(C)=O)C1 1300831055 QQLNXKJIGKZUBS-DZGCQCFKSA-N 430.347 2.016 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301187148 QSTJHLLHPFBTJV-MSOLQXFVSA-N 430.553 2.295 30 10 IEEE CCOC(=O)[C@H](NC(=O)COc1ccc(C#N)cc1OC)[C@H](O)c1ccc(Cl)cc1 1301199639 CKNUQOZBXYNKRF-WOJBJXKFSA-N 432.860 2.381 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1301220293 TYKKXQZRBIMMEI-CQSZACIVSA-N 444.517 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C 1301520173 DDQXTWPQGQXHNY-AWEZNQCLSA-N 430.513 2.129 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1302195119 LQDXWOREBCWYJT-FZEVHQGJSA-N 443.573 2.217 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1303331260 JVOINSLWBUFABC-WMZHIEFXSA-N 438.532 2.262 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1303639417 FCABJTOXJMVSLE-PBHICJAKSA-N 431.518 2.106 30 10 IEEE C#CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1303656368 VICRZBOXNZWQJZ-KRWDZBQOSA-N 439.553 2.387 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@H](O)c4ccc(C#N)cc4)C3)[C@@H]2C1 1308028465 LWIFMLPUXLVALB-YRPNKDGESA-N 442.516 2.106 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 1309432173 DERNQLNDCJDVRC-UHFFFAOYSA-N 430.498 2.340 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1325267353 CMCAXQZVIZOIPZ-IBGZPJMESA-N 440.523 2.429 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1354784265 ACCIAQAOIXALEA-NRFANRHFSA-N 429.542 2.144 30 10 IEEE CN(CCNC(=O)c1ccc(Br)cc1C#N)S(=O)(=O)c1cccs1 1357156616 HBLCZZDVJNHYDM-UHFFFAOYSA-N 428.333 2.433 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1358885393 JIBKPCXJJMMKAJ-SFHVURJKSA-N 431.544 2.198 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358931142 PXNUXKZXNWRIRA-UHFFFAOYSA-N 435.981 2.454 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)cc1 1358940996 UQFZZBHYCWFAPP-UHFFFAOYSA-N 427.306 2.263 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)c1ccco1 1359021327 LDEPBVYKVSNUEN-HSZRJFAPSA-N 438.484 2.303 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359099538 PSCPIDRXDTUPNG-MKXGPGLRSA-N 438.594 2.167 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1359157299 FLRKPXQGZXBLIT-UXHICEINSA-N 436.944 2.168 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1359307943 YQVXCNUWDHCSGX-VQTJNVASSA-N 441.532 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359326809 KGJNQYXNTHSZOQ-MRXNPFEDSA-N 441.598 2.448 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1359585989 VUVCIKBKBAYHEL-UHFFFAOYSA-N 438.532 2.355 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](c3ccc(Cl)c(F)c3)c3nn[nH]n3)CC2=O)cc1 1447439195 ASIPLGGMUPDIEG-SCLBCKFNSA-N 439.838 2.123 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2c(F)cccc2F)CC1)c1cc[nH]n1 1451333779 FWAHIESETVOFIX-UHFFFAOYSA-N 434.443 2.453 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)c1 1453311759 IUWVQSKEQHLOFN-UHFFFAOYSA-N 435.523 2.159 30 10 IEEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1455224192 JAQKXFPWLGBASP-HXUWFJFHSA-N 436.436 2.166 30 10 IEEE C#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1461139843 NCYLJBSKBLYECQ-IBGZPJMESA-N 447.601 2.429 30 10 IEEE COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)COc1cccc(Br)c1C#N 1462131838 VHFIRQFAYXMKHG-SWLSCSKDSA-N 425.279 2.174 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CC2)c1 1464287523 BAPJPXGCXRNSJH-NMWGTECJSA-N 434.562 2.083 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 1464920831 BDCFIRUKJUXZNZ-XUTLUUPISA-N 443.866 2.410 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1470959219 KCSCEOYHLULNHJ-BJKOFHAPSA-N 448.567 2.410 30 10 IEEE C[C@@]1(c2cccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2)COC(=O)N1 1471595108 PZZLHQQEHOSZHF-NRFANRHFSA-N 442.497 2.099 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCOC1(C)C 1494642526 HIVNLLBZMKEOEF-INIZCTEOSA-N 438.532 2.259 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)OC 1500141875 FRBDAVQEGRTDBE-AUSIDOKSSA-N 438.532 2.403 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1504006629 NDFIRUAOYVWBJT-MOPGFXCFSA-N 425.537 2.394 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1)OC 1504579317 IEVBQPKOEKOWGU-IBGZPJMESA-N 429.521 2.313 30 10 IEEE CS(=O)(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CCCC1 1505118272 IDQUTKLWYHIFEK-UHFFFAOYSA-N 448.593 2.002 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1505316172 VXKYEXOHRQGPSE-LIRRHRJNSA-N 449.849 2.168 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1507591084 IOYPXAULRSJZHD-IPMKNSEASA-N 449.621 2.115 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1507868901 QBEIKSRYNRVPIT-CVEARBPZSA-N 429.974 2.156 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCOCC1 1507973476 FIFWZNZQERMTPC-UHFFFAOYSA-N 426.550 2.455 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507977961 BPZMDWSPBGOBTH-GOSISDBHSA-N 435.532 2.248 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1507987074 NTDKJDVABWBONM-HRCADAONSA-N 439.582 2.106 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2cscn2)CC1 1508082946 YBAOBLZAJSZIBB-UHFFFAOYSA-N 437.573 2.334 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1508085923 IOEBLYMBYMPBRX-MNEFBYGVSA-N 438.532 2.128 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1509953200 KTQZBKKCIZMVTQ-RDJZCZTQSA-N 431.562 2.194 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)N1CCCCC1 1513923607 HPQKHHPQOLYDBK-GOSISDBHSA-N 437.596 2.482 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1517865678 MFGFLOWYYIBLEM-BHIYHBOVSA-N 440.552 2.177 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C2)nc1 1527491126 NNJNMMWAWXEFNW-WBVHZDCISA-N 442.269 2.477 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1539013305 INJQPJVMYHKJNW-YLJYHZDGSA-N 429.590 2.138 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC(=O)NCc2ccco2)c1 1539040568 XIFZNQYBCQORCB-UHFFFAOYSA-N 432.484 2.121 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OCC)CC1 1539109076 HZJYVMSHMBWCSE-UHFFFAOYSA-N 425.489 2.408 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)C(C)(C)C 1539406265 XJCZNNBLJNPRFO-UHFFFAOYSA-N 434.562 2.253 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1539595963 HSRJHNWUSRTNDO-AFIMGQEJSA-N 427.343 2.463 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539802510 ZRNHYXMWVXNRRV-OAHLLOKOSA-N 431.990 2.175 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539913136 ZYYFGFITYNOYTE-GOSISDBHSA-N 425.537 2.165 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(N4C(=O)CCC4=O)cc3)C2=O)cc1 1540221119 SFBHXDNAIDYCKV-SFHVURJKSA-N 445.435 2.055 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC(C)C)CC1 1540874880 UWSABUWMQXOQCV-UHFFFAOYSA-N 438.532 2.425 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCCC[C@H]1C)c1cc[nH]n1 1540991136 GFIHVEMVFJSLPX-QGZVFWFLSA-N 441.532 2.384 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1554515941 ZHFUKNCAOLHZPZ-RBUKOAKNSA-N 425.489 2.012 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1555375120 GQINYLYJPUCVGP-GOSISDBHSA-N 426.521 2.116 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](CS(N)(=O)=O)C3)c2)cc1 1562206306 GYTYYILGSPJODR-SFHVURJKSA-N 428.514 2.474 30 10 IEEE N#Cc1cccnc1NCc1cccc(C(=O)NCCNS(=O)(=O)c2cccs2)c1 1566575327 DBCTTWQSNKTCGQ-UHFFFAOYSA-N 441.538 2.335 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1586204813 MMAKYUUJPVAFFC-OXJONJSCSA-N 427.567 2.055 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1587651307 LNDFXAYBHOOCMM-KKSFZXQISA-N 446.646 2.300 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ncn(C)n1 1588109515 GTFSTRGGQAFCBB-UHFFFAOYSA-N 427.468 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CCC 1588124264 IFLXKWIRCJWJBF-XMMPIXPASA-N 432.528 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](OC)C(F)(F)F)CC1 1588913295 GPOBNUYMHBGOBS-INIZCTEOSA-N 438.454 2.206 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)c2cccnc2)CC1 1597096240 CEZIPCPNTUIBSL-GOSISDBHSA-N 429.521 2.343 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CCNC(=O)O4)CC3)C2)C1 1598390922 VOYYYEIUSWHOPW-ZGOJQLDESA-N 432.521 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3ccccc3SCC#N)CC2=O)C1 1603251644 CIRWMWGGQLJJBO-AWEZNQCLSA-N 430.530 2.252 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCNS(=O)(=O)CC 1613997174 UURWEYVEWNUANV-IBGZPJMESA-N 430.578 2.111 30 10 IEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1614499086 HAMUPDZURPBPQC-IBGZPJMESA-N 430.578 2.172 30 10 IEEE COC(=O)C1CCN(CCCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1616191269 QOEHJXOBEOUCLB-UHFFFAOYSA-N 444.381 2.299 30 10 IEEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O 1617654327 PBSHOROZYREVDK-MOPGFXCFSA-N 432.952 2.465 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCO[C@@](C)(C#N)C2)ccc1Br 1617896237 XODRQBRELGLVNI-KRWDZBQOSA-N 444.351 2.281 30 10 IEEE COc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)NC(C)C 1617918172 SDNHWGHYWJSOTC-FQEVSTJZSA-N 443.525 2.467 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2(C)C)CCO1 1618689425 KJWDJKAXKPLFES-ROUUACIJSA-N 440.573 2.300 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1619544048 DMWOBZKLILGHOS-NRSPTQNISA-N 441.532 2.395 30 10 IEEE COC[C@@H](F)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619626383 RXCNKBUVACDURQ-PKOBYXMFSA-N 428.512 2.061 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCCCCO)cc1 1620352222 NPSAULFLAVKIKJ-ZWKOTPCHSA-N 427.461 2.005 30 10 IEEE N#C[C@@]12CN(CC(=O)Nc3cccc(CSc4ccccn4)c3)C[C@H]1CS(=O)(=O)C2 1620611472 UZQUCPQWGDMVQP-UWJYYQICSA-N 442.566 2.183 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cc(Br)cc1F 1621679525 ZGANLVGMMNJHNK-SNVBAGLBSA-N 430.292 2.091 30 10 IEEE O=C([C@@H]1COCCN1CC(F)(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 1623922294 JANGBDLBYNOZON-VIFPVBQESA-N 447.326 2.294 30 10 IEEE Cn1cc(CN(CCn2ccnc2)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cn1 1627177710 WGXVTLJNDAGEQB-UHFFFAOYSA-N 440.529 2.037 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3nccc4c(S(N)(=O)=O)cccc34)CC2)c1 1628141779 HJVXOAJCUAWUNC-UHFFFAOYSA-N 449.536 2.148 30 10 IEEE CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(N2CCOCC2)cc1 1630747922 AYSWMEZWUCJHOX-UHFFFAOYSA-N 442.541 2.005 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1S(=O)(=O)NCC#N 1639265582 SIEQTLBHTLWNFZ-HXUWFJFHSA-N 437.525 2.019 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)c1 1641700013 IZDMBPFQNQWLKT-XZOQPEGZSA-N 436.556 2.080 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1O 1642030393 QWKJFXMWWMDUSD-AWEZNQCLSA-N 427.523 2.488 30 10 IEEE C#CCCN(CCOC)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1642182142 IOXNGQZYZDWTJX-UHFFFAOYSA-N 444.509 2.371 30 10 IEEE C#CC[C@]1(C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)CCCN1C(=O)OC(C)(C)C 1643809804 SIQJWPIMMWGSDI-PKTZIBPZSA-N 427.501 2.126 30 10 IEEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 1645772021 MAZKMONCMXRSND-UHFFFAOYSA-N 436.574 2.416 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1663877820 FNPGTCWUKIWBBI-UHFFFAOYSA-N 444.532 2.182 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)C2 1672141606 IPTNEHNZAPAMKJ-KRWDZBQOSA-N 432.933 2.347 30 10 IEEE C#CCN(C)CCCNC(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 1673203413 VCYQNXLGEURMAR-UHFFFAOYSA-N 429.384 2.113 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc4c(c3)OC(F)(F)O4)C2=O)cc1 1682227892 WLQBUSMMWOIHIQ-MRXNPFEDSA-N 428.395 2.480 30 10 IEEE C#C[C@@H](NC(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1)C1CCOCC1 1682888504 SPHBQAWVCJTQIZ-MRXNPFEDSA-N 428.489 2.313 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(Cl)cc1 1686918274 IPJHMXJBOIVMCN-ROUUACIJSA-N 426.970 2.268 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1689924865 XASLPWVOALQLTH-MRXNPFEDSA-N 444.561 2.041 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(OC)nc2)CC1 1690129101 PUIWUJQQBCCIOL-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(CCOCC)CC2)CC1 1690142465 OMUUEJTXJFLEMS-UHFFFAOYSA-N 438.576 2.456 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690188651 MZNDNCNNAIZRHO-BZSNNMDCSA-N 446.577 2.444 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)CC1 1690252979 LBONPJRHBVCKLG-PGRDOPGGSA-N 425.533 2.473 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1690288461 ZWEXAFFBWKLPDN-CVEARBPZSA-N 445.536 2.059 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690311150 DSPIKSBYGBZTGF-AVRDEDQJSA-N 430.553 2.250 30 10 IEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1690538893 REZGGCFCMBZXEJ-QHCPKHFHSA-N 433.597 2.320 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690742053 FJLIQILJSYWVNA-JKSUJKDBSA-N 431.566 2.299 30 10 IEEE CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)C1CCC1 1695546691 WBYZUIVCXAHHND-APFMSCDFSA-N 438.536 2.220 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1696496162 QTLHCSUSEWSHDO-HZPDHXFCSA-N 448.618 2.476 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1)OC 1697767111 MJCZPJKTLKPPAR-CTNGQTDRSA-N 440.548 2.065 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1705549743 GNIDSKMQUOWDNN-UHFFFAOYSA-N 437.573 2.491 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C(C)C)CC1 1705643247 YAYBWIGXORQOJQ-NRFANRHFSA-N 427.549 2.292 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1705658197 HZNSBQNTZQQPKL-HOTGVXAUSA-N 448.618 2.218 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705674734 PLCKSJCJGFPOGY-XMMPIXPASA-N 436.560 2.122 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705726618 WGZGLWOKQZEEIQ-LJQANCHMSA-N 437.592 2.409 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705824779 AALMXIZHDMCQMB-OKZBNKHCSA-N 425.599 2.498 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2)C1CC1 1705849564 PWGIXBFZVLRFND-HNNXBMFYSA-N 430.578 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705896176 DLUUTWPOQSIMDT-QGZVFWFLSA-N 441.532 2.030 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)cs1 1707761404 OVYOMXUBTNTTPD-MOPGFXCFSA-N 429.594 2.483 30 10 IEEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)ccc1OCCO 1711668078 QBLCMHCDWYFAMM-SJLPKXTDSA-N 429.521 2.196 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCOc2ncccc2F)CCO1 1712883992 DJFCCESSSUMUER-QGZVFWFLSA-N 426.427 2.350 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1722310830 PWZASEIOZVGTPV-UHFFFAOYSA-N 431.562 2.224 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1722330158 QDDSWYVVSLUAKU-UHFFFAOYSA-N 425.489 2.455 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1C[C@H](F)C1 1722378656 GNKBLQFCPYXYFR-QAQDUYKDSA-N 428.537 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@@H]1C 1722390679 VWFTTYXHBWDCBL-IBGZPJMESA-N 439.585 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)SC)CC1 1722443762 NUFDGBSHSWNVRO-HTAPYJJXSA-N 449.621 2.036 30 10 IEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCCS2(=O)=O)CC1 1722569074 LVIYSAGNMVCISK-UHFFFAOYSA-N 431.562 2.092 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C(C)C 1722632686 CMSXOVFJBDLQED-UHFFFAOYSA-N 447.609 2.331 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1722865296 GNMIFFUENWSGPK-DLBZAZTESA-N 426.521 2.033 30 10 IEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 1723961320 DNXFSQNTEOTEES-QFIPXVFZSA-N 436.541 2.488 30 10 IEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCC(=O)N(C)C 1729055736 HBTATQODFCXIPK-UHFFFAOYSA-N 439.564 2.271 30 10 IEEE COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)c(OC)c1 1730141510 FNYPQZXKQJQJIR-GOSISDBHSA-N 436.472 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCn1cc(CO)nn1 1740535051 NBIHXTFYSUOVDA-HOTGVXAUSA-N 427.484 2.189 30 10 IEEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740567582 MCVZMBZKTVHTOY-QGZVFWFLSA-N 446.349 2.462 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740582176 LBZUUHSXDRTYNR-JOCHJYFZSA-N 444.557 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)C2CCC2)c1 1740629274 HZSXDPKQKMZQHS-UHFFFAOYSA-N 432.528 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740638094 DJYDYCIUKXXCPH-UXHICEINSA-N 429.590 2.213 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCc1ccc(S(C)(=O)=O)cc1 1740655002 VAZOXQSYYKSISF-UHFFFAOYSA-N 447.564 2.373 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1740663299 FTQHKZXNEGIWSN-QHCPKHFHSA-N 425.533 2.188 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1740697679 CDZZFEULKYTFFZ-UHFFFAOYSA-N 438.532 2.463 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccn(C)n2)CC1 1740698154 UCDQNUGPFFNKCD-UHFFFAOYSA-N 427.459 2.084 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(F)cc2)CC1 1740704678 RAAMRJUKYIJANT-UHFFFAOYSA-N 435.507 2.026 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1740765583 ALEWYJVSYRQSDX-CTNGQTDRSA-N 444.624 2.301 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740787770 JYFUZBFYTIVDQV-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1740880605 JIYXGOVCEZHFQW-UHFFFAOYSA-N 444.502 2.181 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCOCC1 1740899167 HQUUZFKFCFXYGZ-UHFFFAOYSA-N 440.596 2.187 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1740921230 OAZQPFJXQSBKDV-QGZVFWFLSA-N 428.512 2.333 30 10 IEEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949913 XOURMNDOPJMDKR-HSZRJFAPSA-N 425.533 2.008 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@H]1C 1740969689 VJEATLJYDAAWIV-IEBWSBKVSA-N 425.533 2.452 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)[C@@H](C)C1 1741055709 PMFOPHBEVKGPHU-UWJYYQICSA-N 436.516 2.131 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1744014001 XEGAUCHDSVTVRM-QHCPKHFHSA-N 437.548 2.183 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1745188022 OHTWJHGMWZPDQJ-GCJKJVERSA-N 425.537 2.274 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](F)COC)c2ccccc2c1=O 1746470605 LIMLQGZLJRGQBU-CABCVRRESA-N 427.484 2.255 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1746687158 WAPKMXVEOQLQJU-VQIMIIECSA-N 425.480 2.484 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(C)c2C)cc1OC 1746804051 HTHJVTFISXXGFP-SFHVURJKSA-N 437.504 2.171 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1OCCC1(C)C 1747186268 JEQVXUSRVXBAPQ-GOSISDBHSA-N 425.537 2.223 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCC1CC1)[C@H]1CCS(=O)(=O)C1 1748804129 DJOXSRVJNGQNHR-FQEVSTJZSA-N 428.558 2.359 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC(F)F 1748810564 GMHKBACLNCDFPE-HUUCEWRRSA-N 435.431 2.169 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1748988832 CJTJJRDHROTYED-UHFFFAOYSA-N 443.617 2.215 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1749033221 BDMOYLBMJNSTPQ-MSOLQXFVSA-N 447.511 2.452 30 10 IEEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCCCC1 1749404362 CTJZWUWZEDPNOF-INIZCTEOSA-N 438.598 2.225 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1749449107 HYYAMXPCEZUPPG-JOCHJYFZSA-N 427.505 2.011 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CCCn1cnnn1 1751266696 SAYMJXLTSGQCDS-OAHLLOKOSA-N 425.472 2.374 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1760095510 QWKDTUMDWRGRDL-RTBURBONSA-N 438.576 2.143 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1760157713 ZGXKNVWJXQJXOQ-UHFFFAOYSA-N 449.603 2.072 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1760160036 WRQXTENNLHCBNV-XXBNENTESA-N 429.565 2.086 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760187691 DLVPQSFJJUUEFK-KRWDZBQOSA-N 431.562 2.107 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)CC1 1760262303 LENJTXNQHQCCKV-UHFFFAOYSA-N 447.518 2.165 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760262318 LPMLMWLBEMWAOY-YADARESESA-N 425.577 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1760270299 OFPBWPMTODRMTA-IBGZPJMESA-N 444.530 2.387 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(NC(C)=O)nc1 1760290070 VKGVVLGDEUPZCH-OPAMFIHVSA-N 426.521 2.396 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1760337422 QJRZSJUFPJXZAV-INIZCTEOSA-N 448.545 2.390 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1760411916 SMPONPYHIAOGFR-LJQANCHMSA-N 430.597 2.380 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760526687 FQZOPMWIKOHWGC-GOSISDBHSA-N 427.553 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1760548940 STZNTLAKDCGMQU-UHFFFAOYSA-N 447.605 2.475 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760567918 QRBLDMSMNYEFSE-ZBFHGGJFSA-N 434.591 2.488 30 10 IEEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N1CCCC1 1764253889 AUSZLJSWHLRVOE-RBUKOAKNSA-N 434.610 2.185 30 10 IEEE CCn1cccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)c1=O 1765344986 JIWPNEVIJANIQH-INIZCTEOSA-N 440.454 2.106 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1766609815 XACZJMFVLHXYCP-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 1766869810 ATIBCCVLJDIIIW-UHFFFAOYSA-N 436.545 2.078 30 10 IEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1767916307 CPTFSIOYADTRLZ-HXUWFJFHSA-N 437.500 2.463 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)C1 1769156431 BXJCIOHRQZPLCF-NRFANRHFSA-N 436.545 2.182 30 10 IEEE COCCOCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1770148910 RQHOEKFEADZJNC-OAQYLSRUSA-N 427.484 2.012 30 10 IEEE C[S@](=O)C1(Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CCC1 1771371858 HTAIIXOBAWJJKB-HKBQPEDESA-N 441.605 2.470 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)n1 1849650142 QPVVGYBKKDCMGD-QGZVFWFLSA-N 448.479 2.352 30 10 IEEE Cc1noc(-c2ccnc(-n3cnc(C(=O)N4CCN(c5ccccc5C#N)CC4)c3)c2)n1 1851296592 LFUVBIRAEKOYTQ-UHFFFAOYSA-N 440.467 2.460 30 10 IEEE CN(C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1)c1snc(N2CCOCC2)c1C#N 1852817101 SWRWVEBDAPMXCU-LPHOPBHVSA-N 439.541 2.424 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CC2CCC(F)(F)CC2)C(=O)C1 1853953296 VZNYWACASKONRD-UHFFFAOYSA-N 425.457 2.133 30 10 IEEE C=CCCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1854683341 WJNSFYFBTOFIIM-SJORKVTESA-N 439.603 2.174 30 10 IEEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cc(-c4ccc(F)cc4)ns3)C(=O)C2)C1 1855018449 AYMFFZMSWJPDOD-QGZVFWFLSA-N 427.505 2.222 30 10 IEEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)C2CN(c3nc4c(F)cccc4s3)C2)C1 1855474043 OSYFDJPYSWYEKX-AWEZNQCLSA-N 429.521 2.482 30 10 IEEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(OC4CCCC4)cc3)CC2)n1 1857969310 IKPOPAKAHDUWSC-UHFFFAOYSA-N 427.530 2.489 30 10 IEEE C/C(=C\C(=O)N[C@H](C)C(=O)Nc1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867074034 NBCHKBDJEIPKKS-ASNKMWSDSA-N 440.525 2.355 30 10 IEEE Cc1ccccc1/C=N/Nc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873526914 BXJBZKUTJVNGQQ-VFJJTOLMSA-N 425.308 2.120 30 10 IEEE Cc1c(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873967004 HEGTZGHHWDPESC-UHFFFAOYSA-N 449.492 2.180 30 10 IEEE Cn1cccc1/C=N/n1c(SCCCO)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 1874209259 ZMBLLBNWLTYLLR-TTXZLZEXSA-N 438.557 2.489 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2039819242 PRQSYVHVWQSXDM-INIZCTEOSA-N 435.374 2.220 30 10 IEEE CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 2053511448 UFLBLSHMDVNUDM-TXEJJXNPSA-N 432.571 2.400 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2085301298 IBCCXQYXEPAWPA-HUUCEWRRSA-N 439.362 2.230 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)nc2)OC1(C)C 2129065324 WIJDOYVXRJRJIU-NHCUHLMSSA-N 436.365 2.256 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(N)c1 2162916163 PZMILLVVWBNWCB-SFHVURJKSA-N 428.514 2.468 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)O 2180120432 VJYAEORTUPXJGH-LSDHHAIUSA-N 439.306 2.478 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC12CCOCC2 2255598734 QRRNETFHLPZVFX-MRXNPFEDSA-N 434.342 2.154 30 10 IEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628811 NHJDOMFDPQKVEV-CQSZACIVSA-N 436.362 2.474 30 10 IEEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](C)CCO)c1B1OC(C)(C)C(C)(C)O1 2255632085 IFBFLSLFDBBTKL-MRXNPFEDSA-N 427.354 2.441 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H]3CCOC[C@H]3OCc3ccccc3)c2)OC1(C)C 2255859840 VQALTTXTXQWZQD-UYAOXDASSA-N 426.322 2.418 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2255955172 JNXYBWBOUGGWHC-WOJBJXKFSA-N 448.394 2.089 30 10 IEEE Cc1cc(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2256675430 QUDPYGUOLRDZEE-HNNXBMFYSA-N 434.342 2.366 30 10 IEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267183489 NQQAFLLFTCCHKC-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2267269555 FRALMRCMMIEVQZ-UWWQBHOKSA-N 445.369 2.452 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267553205 YAPAUIQHCUGQMJ-GTQRCTGISA-N 448.325 2.133 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)O1 2268638707 VFLMOVMKRCNLED-CVEARBPZSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268708729 FPIAFDCSFJSVHD-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)cc2)OC1(C)C 2268973884 CSSRSMQBXACFOP-UHFFFAOYSA-N 438.333 2.302 30 10 IEEE COCCONS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282874159 WKCMYEOBDQQKMP-UHFFFAOYSA-N 426.127 2.149 30 10 IEEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c(OC)c1 2329041933 NCTKCPZHAITVRE-MRXNPFEDSA-N 447.561 2.376 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1sccc1C 2330749759 ASTICHJSCWEULX-UHFFFAOYSA-N 435.560 2.354 30 10 IEEE COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)NCCC(=O)O)ccc3C2=O)c1 33576210 YMECUBJJBAILOQ-GRSHGNNSSA-N 427.409 2.290 30 10 IEEE COc1ccc(N/C(=N/C(=O)c2ccc(F)cc2)NCCN2CCOCC2)cc1OC 46134971 LPNHHOQPOUYJHY-UHFFFAOYSA-N 430.480 2.373 30 10 IEEE COc1ccc(/C(C)=N\Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1OC 59016136 PSWVXDCSHFQFAC-UKWGHVSLSA-N 434.507 2.240 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 60738697 MEZGZZNLZQAYGF-UHFFFAOYSA-N 445.497 2.235 30 10 IEEE Cc1c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2c(O)[nH]c(=O)sc2=O)cnn1C 96854191 OCWSJNADSNGUBR-HJWRWDBZSA-N 435.465 2.293 30 10 IEEE N#CCCn1ncc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1-c1ccccc1 429776493 SOHHFUQBTBAVBZ-UHFFFAOYSA-N 434.544 2.138 30 10 IEEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1OCCc2sccc21 429911468 SDTHVONMWMNKDN-MGPUTAFESA-N 445.566 2.403 30 10 IEEE Cc1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C2CC2)n1 439402969 JYOLAPDXQWMBEN-UHFFFAOYSA-N 426.502 2.073 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1CCC(C#N)CC1)n2C 441148919 OUPFAABJONLVHU-UHFFFAOYSA-N 431.562 2.202 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cc1 444004301 QPJVGXSWHQEDDN-UHFFFAOYSA-N 432.524 2.173 30 10 IEEE COc1cccc(CC(=O)N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)c1 462082756 DVZWIJZJHIBVHJ-UHFFFAOYSA-N 445.483 2.066 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 462086421 XFYBRKWBYVTYNO-FPOVZHCZSA-N 431.500 2.143 30 10 IEEE CSc1nc(O)c(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1C#N 476596151 LHJCPOIVNHMXAG-UHFFFAOYSA-N 428.489 2.437 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1C#N 489619568 GMWVIVLRMXDJKN-OAHLLOKOSA-N 438.431 2.360 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 503131548 MLUGXAXTKWKVMI-CYFREDJKSA-N 440.544 2.198 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508480662 JBVINJUFTLIDGL-HOJAQTOUSA-N 445.589 2.475 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3COCCO3)n2Cc2cccs2)CC1 549563702 CLAUGHGJEXKNAA-GOSISDBHSA-N 437.529 2.069 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 553501934 SLYLHLFGCOSAFE-CQSZACIVSA-N 428.352 2.196 30 10 IEEE CC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H](c1ccc(C)cc1)n1cncn1 586859997 OOUFVSAIKIOCBQ-NHCUHLMSSA-N 434.475 2.398 30 10 IEEE C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669154 JYAHQNWQAIOAIZ-DNVCBOLYSA-N 447.564 2.090 30 10 IEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(NC(=O)CC3CCCC3)CC2)C1=O 731351486 ZGDPVMGUAZSNMY-DEOSSOPVSA-N 437.544 2.444 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)c1 733078052 SANPTOOPKPTPLU-CVDCTZTESA-N 442.585 2.094 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCCOc3cccc(S(C)(=O)=O)c3)cc2C1=O 738565972 QARXWTKQCCWTLO-UHFFFAOYSA-N 429.450 2.108 30 10 IEEE CCN(Cc1cccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1)C(=O)C(F)(F)F 746209881 DYPXPKJQUAMWEG-ZCXUNETKSA-N 438.406 2.452 30 10 IEEE C[C@@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 752614720 MECBRQBCYMUKLD-MRXNPFEDSA-N 429.498 2.140 30 10 IEEE C#CCN(CC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C)[C@H]1CCS(=O)(=O)C1 754645152 VUOBYRNJHQXILT-IBGZPJMESA-N 442.537 2.187 30 10 IEEE O=S1(=O)N/C(=N/CCCc2nc(Cc3ccc4c(c3)OCCO4)no2)c2ccccc21 761616971 OGQYUFNBYPUGLU-UHFFFAOYSA-N 440.481 2.103 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)CC[C@@H]2C)cc1OC 762508915 OUZGUZQMRNQCHM-INIZCTEOSA-N 426.535 2.260 30 10 IEEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccn(C)c3)c2=O)c1 763461217 QRLXCBBQFXEUIS-UHFFFAOYSA-N 449.532 2.127 30 10 IEEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765542299 HKZZRGFPIGXFAV-LJQANCHMSA-N 442.589 2.237 30 10 IEEE N#Cc1cccc(CC(=O)OCC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 770033560 QZSCFPJSRAGJNJ-LJQANCHMSA-N 428.441 2.127 30 10 IEEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCC1CS(=O)(=O)C1 786682201 DZHKHCKYXKWOBT-KRWDZBQOSA-N 449.598 2.338 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC2(O)CCC2)C1=O 790012791 VFIPADQDGONNIH-QGZVFWFLSA-N 436.553 2.130 30 10 IEEE N#C[C@H](C(=O)CCOCC(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 791772641 DWLQNTGIIMQQJJ-MRXNPFEDSA-N 443.472 2.180 30 10 IEEE C[C@@H]1[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC(=O)N1Cc1ccccc1 798455051 AYRIQBINTVZKPW-OWYHZJEWSA-N 441.532 2.234 30 10 IEEE O=C(COC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12)NCC#Cc1cccc(C(F)(F)F)c1 800254670 ZMTMWQNLEVNUIY-OEAITIMISA-N 429.394 2.043 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3C[C@@H]3CCCO3)CCO2)c1 802691045 XUNMACRZTSPIHU-PMACEKPBSA-N 436.516 2.143 30 10 IEEE C#CCN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCS(=O)(=O)C1 807252928 VMOQAZOMDYWBSF-HZPDHXFCSA-N 426.336 2.127 30 10 IEEE CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(O)C2=O)c1 820179466 LKIXGHKZIVASBT-INIZCTEOSA-N 441.868 2.024 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 858070726 BVOZAIGLDDAWPL-LJQANCHMSA-N 425.510 2.164 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C12CCC2 1163819035 BQDOFTIQSDMVGN-MSOLQXFVSA-N 447.557 2.425 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](CC(F)(F)F)C2)CC1 1174770817 HYBQZTHGPUYZAQ-QZTJIDSGSA-N 428.430 2.188 30 10 IEEE CCOC(=O)c1csc(N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)n1 1190953531 HUXYOVIGIYJUEQ-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE C=C[C@H](CO)NC(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1197861463 LAXFPTMFISJYCX-QGZVFWFLSA-N 435.484 2.405 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2CCS(=O)(=O)c1ccc(C#N)cn1 1198186171 ROXAIHGCCHSDCQ-UWJYYQICSA-N 434.562 2.496 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3cc(C#N)ccn3)CC1)CCS2 1251473345 WTDOHFQWZALSQD-BATSVXPKSA-N 429.546 2.002 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)C1=O 1270492994 CQFIMWBPWVWQLQ-MOPGFXCFSA-N 431.533 2.376 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(Cc2ccccc2)CC1 1286466724 JANIYBYHIANNCK-HXUWFJFHSA-N 442.585 2.289 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2[C@@H]2C[C@H]2CF)CC1 1286489436 SHUCTZCPVSIQHN-QFBILLFUSA-N 441.507 2.459 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCn1cc(CO)nn1 1286572092 ZDWFDMWNXHAUGU-UHFFFAOYSA-N 425.493 2.250 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCCN(C(C)=O)CC2)cc1 1286794581 LDOPSRHXRGCGMD-UHFFFAOYSA-N 435.532 2.350 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(C)C)C1 1286816390 IJEDKSBCHPGZLO-IBGZPJMESA-N 429.546 2.279 30 10 IEEE CC(C)C(=O)N1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1292780040 VPELBQNNAYALNF-OTQYULQBSA-N 432.565 2.490 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1[C@H](O)c1ccccn1 1297424607 BGSNNFXMXSQTSY-NRFANRHFSA-N 436.493 2.231 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O 1298410376 LRGHYAJKMCUQFK-UHFFFAOYSA-N 439.545 2.458 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)cc1 1299047074 DRTXFSMENAZIKA-QGZVFWFLSA-N 449.330 2.358 30 10 IEEE CNC(=O)CCn1c(CCCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1299259278 JAMNUNGEOOXDGD-UHFFFAOYSA-N 445.527 2.124 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1300309352 GRJCEOCNWZWNNW-MSOLQXFVSA-N 434.585 2.385 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300491225 FHZZHFSFCREJQW-GGPKGHCWSA-N 433.622 2.150 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300501274 IJHNNVDYGBGQSU-OAQYLSRUSA-N 441.601 2.166 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1300516688 HWYJZLGWWKSSBY-MSOLQXFVSA-N 427.505 2.268 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(F)c2)CC1 1300708886 YBBANOJVJPOEPR-UHFFFAOYSA-N 438.532 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2csc(CC)n2)CC1 1300719493 CYJFPNDYNCGOOH-UHFFFAOYSA-N 435.557 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1300726818 RQQPBMRZEISJSS-UUOWRZLLSA-N 438.576 2.027 30 10 IEEE COCC1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301319884 UUNZJPLGOKMLDO-VZCXRCSSSA-N 428.537 2.325 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1301555643 XLKQZSAGPMKXIS-JBYIUTFZSA-N 429.496 2.057 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1301565677 JEGJSTGBJNWPRS-WMZHIEFXSA-N 425.533 2.425 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C(C)C 1301584526 BMISMHZKKSWTNH-GOSISDBHSA-N 449.552 2.384 30 10 IEEE COCCN(C)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301729018 BJVUBHMJKLRTAM-QFIPXVFZSA-N 447.543 2.368 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC=CCO1 1301806394 FWODXQJYSKWLBH-INIZCTEOSA-N 435.488 2.305 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC(C)(C)C2)CCOC1 1303507473 VDJWAVWAHXKMJW-CVDCTZTESA-N 446.596 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCc3c(sc(N)c3C#N)C2)C1 1304491447 ZHKXCGKACQEBRX-FQEVSTJZSA-N 436.509 2.062 30 10 IEEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)C1CCCC1 1312944717 WAFFQYGFSQLEHP-IBGZPJMESA-N 435.594 2.133 30 10 IEEE C#C[C@@H](NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)C1CCOCC1 1313043679 SWXMYEUNBQAIPL-RDTXWAMCSA-N 427.314 2.467 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1314080144 DKIZTTVYNMVUFJ-GAJHUEQPSA-N 440.548 2.276 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC(=O)N1 1316099299 WSWPRHOBATYMMZ-OAHLLOKOSA-N 432.912 2.252 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1316537030 XYLIOQPFRVFJHA-MRXNPFEDSA-N 434.953 2.407 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCN(C(C)C)CC1 1358882054 RYDQZUKFLIEMMK-KRWDZBQOSA-N 425.533 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1358890505 QIWRVAVIZQMBIX-IAGOWNOFSA-N 432.546 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nc(C)cs1 1358972276 ZKZWYNQMDUIJJO-UHFFFAOYSA-N 425.539 2.235 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(C)cccc1C 1358984686 DECSYJXXKKCQJB-IBGZPJMESA-N 427.574 2.211 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccs1 1359015069 GXTQVLPQGNRNRR-AWEZNQCLSA-N 448.549 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N(CC)CC)CC1 1359044176 YGTLFGRCYFULDL-IBGZPJMESA-N 437.592 2.345 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359123556 UYZPARCOYYUETJ-FQEVSTJZSA-N 438.532 2.242 30 10 IEEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359127188 KMSQHBYCCNTVAU-HXUWFJFHSA-N 447.605 2.494 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1359189729 SSXMOPKAWQMYJD-SJORKVTESA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359304897 NAGXYVSPNPYGGH-QZTJIDSGSA-N 441.532 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359333907 NROJKDMWQUPMIK-HKUYNNGSSA-N 447.580 2.282 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCSCCCO 1359473033 VISKDEFDHCAXHS-CQSZACIVSA-N 427.534 2.305 30 10 IEEE C=CCN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 1435069036 MTJFNMDIKJNDMN-GXTWGEPZSA-N 427.320 2.077 30 10 IEEE Cc1cc(C(=O)NC2(C#N)CCSCC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1446244413 MNIHCEPGRCNGDV-UHFFFAOYSA-N 432.571 2.320 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[C@H](CO)C1CCC1 1452260277 OOGAQYLVZVQUDL-HTAPYJJXSA-N 441.553 2.415 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)cc1 1455097230 SJQXRVYPQMFWFH-BHIYHBOVSA-N 446.326 2.054 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC3=CCCOC3)nnc12 1457927743 UPMINZWKBTYUQM-UHFFFAOYSA-N 425.514 2.127 30 10 IEEE N#Cc1cccc(C2(NCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCOCC2)c1 1460463326 VDVLFEULKLGNDL-UHFFFAOYSA-N 436.468 2.273 30 10 IEEE C#CCN(C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1464383274 OUQNGJJQXOVJTN-KRWDZBQOSA-N 436.530 2.086 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c(C#N)cn1CC 1466880331 AVNLAQMOFNHCGH-INIZCTEOSA-N 430.509 2.166 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(CC(=O)N3CCN(CC)CC3)CC2)cc1 1470253774 SGZONTHNMIGTKE-UHFFFAOYSA-N 426.561 2.174 30 10 IEEE Cc1cc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1S(=O)(=O)N(C)C 1477166863 DOOSGEQEXGXNOT-UHFFFAOYSA-N 441.557 2.467 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1505022008 ZVDXFOONGRHCTO-RQZFFVEVSA-N 443.573 2.360 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1505325289 FUGKOSFQBPUDBQ-UHFFFAOYSA-N 445.329 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1507522898 YTGLLRBLUVVVSG-INIZCTEOSA-N 438.557 2.316 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CCC1 1507690109 PSLPPPCMMAHXBH-WJOKGBTCSA-N 441.605 2.213 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507748552 OVVYNHDARXRSEE-OAQYLSRUSA-N 441.582 2.198 30 10 IEEE Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1511060037 GMPFXYZYBPDJBC-AVRDEDQJSA-N 426.496 2.353 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1512436217 VPRCOKKLORWDOO-UGKMNXKKSA-N 441.561 2.140 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)C1 1517478075 HXVNWGTYFIOKHM-UVDDSOTQSA-N 442.589 2.326 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1539230309 LKRUZSHTRNGJPY-KRWDZBQOSA-N 444.557 2.293 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)CC2=O)cc1Cl 1539320738 HKYFEFHETYOYJR-CHWSQXEVSA-N 442.825 2.092 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@](C)=O)CCC1 1539399073 AVOSQTVCLACFKX-PMERELPUSA-N 431.518 2.241 30 10 IEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540014884 YQJGFZSIQIMEQK-QGZVFWFLSA-N 426.521 2.388 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1540191499 MTASKDDVRXLYRQ-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1545648085 CPZHFOLZTCZQFI-UDJKBAMHSA-N 426.525 2.077 30 10 IEEE CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1547515029 ORTZLAASDGUADV-BKBKCADHSA-N 436.516 2.335 30 10 IEEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1548125811 HIIQOOWWVHPRNE-DYESRHJHSA-N 432.500 2.232 30 10 IEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)NC)CC1 1548397345 MMTLMUOQLYQRMQ-DLBZAZTESA-N 437.466 2.427 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)c3cc(Cn4cc(Br)cn4)on3)C2)c1 1557721511 PGFNENHTPNGIOT-UHFFFAOYSA-N 427.262 2.490 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(c2nccn3nc(C)cc23)C1 1558822014 QBGBWXYHDCGPHF-HNNXBMFYSA-N 434.928 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(CCOc4cccc(C#N)c4)C3)[C@@H]2C1 1560094772 ZRWXOPQXIVPWAH-SXLOBPIMSA-N 442.516 2.451 30 10 IEEE C#C[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1564722419 UQDZXYVJWHVUIG-AWEZNQCLSA-N 428.352 2.233 30 10 IEEE C#CCN1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CC1 1565339504 NNMPZDAIDCUJOF-IBGZPJMESA-N 434.581 2.189 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C#N)c2cccc(OC)c2OC)s1 1565644647 ZMNJSRGAMKKLQE-OAHLLOKOSA-N 435.527 2.153 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 1583811800 MLNWOJAZEXMYFM-OAQYLSRUSA-N 439.493 2.435 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CCc2ccccc2C1 1583870304 FUAQFLNMQCSJDD-IBGZPJMESA-N 426.542 2.229 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1cccc(F)c1 1587562994 WBZASMMCOKSAKS-YQQAZPJKSA-N 437.541 2.343 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1588266663 UAIVSRRMOPSGNS-PMPSAXMXSA-N 431.562 2.281 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1588993521 KKYXBCYLKFEEGB-DNVCBOLYSA-N 441.557 2.044 30 10 IEEE C=CCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453242 PUUYUWDEXAJGHV-JZXOWHBKSA-N 427.553 2.411 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 1595675041 WSKHPAYMVJLGOX-NBCNXNJRSA-N 432.496 2.490 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1597325154 DLGHNSRIWRZAKE-SFTDATJTSA-N 443.640 2.280 30 10 IEEE Cc1ncsc1CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1611871432 YTVWFBZITNFMRE-HNENSFHCSA-N 427.534 2.158 30 10 IEEE Cc1nc(Cc2nnc(N(C)CC3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1612393943 ZZRZKJFOEVDWPO-FMQUCBEESA-N 441.561 2.397 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1C 1614079716 GUSOWGLDNNWHAJ-XKGZKEIXSA-N 438.532 2.116 30 10 IEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)(C)C 1618978070 DGHUVHMODRIVBM-RBUKOAKNSA-N 437.548 2.434 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccncc2)c1 1620150116 DECCIARPPPSJPZ-NRFANRHFSA-N 440.504 2.428 30 10 IEEE N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)nc2n1CCOC2 1623340575 ZUOBRLKQIXTBSE-CYBMUJFWSA-N 445.426 2.377 30 10 IEEE Cc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1624721864 XQLGKQSPQQKMKI-XMMPIXPASA-N 449.316 2.406 30 10 IEEE Cc1cccc(CS(=O)(=O)CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1624812847 AGAYVRDKAPQFFQ-ZWKOTPCHSA-N 435.546 2.175 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(NC(=O)C4CC4)CC3)C2)C1 1625675163 DBCHPBSSGROTAR-BNGSBABLSA-N 430.549 2.290 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)C(=O)OC 1626188299 VHROESAPZCERQC-IBGZPJMESA-N 448.928 2.455 30 10 IEEE C[C@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)CCO1 1626948308 NGLIGHFDTAQWME-QFIPXVFZSA-N 446.573 2.216 30 10 IEEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1627307110 QLLBTIDMRYYGOM-MRXNPFEDSA-N 431.968 2.397 30 10 IEEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1635209349 CEUJCOLLTKXQII-LJQANCHMSA-N 445.472 2.293 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1640115200 AWFCCOCWCAWBNF-AIADIJKESA-N 442.462 2.381 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2cc(Cl)ccc2OC)s1 1640644255 GGSNXKATXGKCRL-HNNXBMFYSA-N 444.962 2.267 30 10 IEEE Cc1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)cc1B1OC(C)(C)C(C)(C)O1 1645830606 YSGSNZRFFNGYNK-IBGZPJMESA-N 433.379 2.334 30 10 IEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 1651811450 FQCGFJBFPYFWDZ-ZDUSSCGKSA-N 434.331 2.337 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 1685629388 MPUWGPBEPPSXJS-UHFFFAOYSA-N 446.548 2.155 30 10 IEEE C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1nc(C(F)(F)F)no1 1685807602 DDOMAFGNLUYLHU-VIFPVBQESA-N 425.371 2.418 30 10 IEEE C=CCn1cc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)nn1 1686847905 IUJYEWJDPFXJRB-GOEBONIOSA-N 428.459 2.329 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1689842184 VVPAJIXZBXQWNY-OAHLLOKOSA-N 430.530 2.142 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCOC2)n1 1690109243 LKFCEYJRKHAQSI-WOJBJXKFSA-N 442.564 2.081 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)c2nccs2)CC1 1690135418 WJGJGOFKUPAWLB-BZSNNMDCSA-N 430.578 2.018 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C 1690178964 JCCDTUSFLUTOOB-UHFFFAOYSA-N 439.589 2.234 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690247696 DPJRYEZPZLUXLT-FXAWDEMLSA-N 439.626 2.318 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1690667996 PEQJMOUYLNHVCL-UHFFFAOYSA-N 446.515 2.261 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690741986 CPGJHJRRKMVJEX-GJZGRUSLSA-N 436.582 2.252 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1697776554 SMEVFXZDEAQCED-WOJBJXKFSA-N 439.495 2.212 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@H]1C 1698060781 GXYALSAEVORMNP-KKSFZXQISA-N 433.940 2.429 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)c1cccs1 1698227563 IBEOAFVLUWGANG-VYDXJSESSA-N 432.550 2.232 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1705499597 VFWJHSGKLHOVRS-OAHLLOKOSA-N 429.571 2.278 30 10 IEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1705537116 VHNQDHGCWSLZIR-DEOSSOPVSA-N 435.551 2.498 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCSCCCO)CC1 1705645978 LZJVXHDBKYJLLD-UHFFFAOYSA-N 441.601 2.335 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1705729223 PQABBHCDAIJBBB-UFYCRDLUSA-N 430.597 2.320 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705830715 WBIPFUUZHJBGMR-LAUBAEHRSA-N 441.532 2.440 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Br)n1 1705879507 BCRJQXHYRGJORC-UHFFFAOYSA-N 437.342 2.261 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1705900437 DHJGNYRSWKEAMH-UHFFFAOYSA-N 449.559 2.044 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705932812 KSFMNANXIUOIOF-SFHVURJKSA-N 441.561 2.188 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1COCCO1 1706461890 PPRSEVFPGUYRJM-MRXNPFEDSA-N 430.509 2.187 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1712699283 BSNHLVPOANCWCZ-NRFANRHFSA-N 429.546 2.258 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722361803 PJFOJGHNPJOSLG-IBGZPJMESA-N 441.532 2.292 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722362834 OZGCFRGTFMBVMH-BPQIPLTHSA-N 444.557 2.245 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)n1 1722427631 MCMLJOSLTJWOBI-UHFFFAOYSA-N 433.560 2.500 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H]2CCCCO2)CC1 1722433544 ZOPWTNYTVMNKTH-NFBKMPQASA-N 431.581 2.033 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1722468001 FKEMYXHJPUDARI-HTAPYJJXSA-N 427.553 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C(C)C)N1CCOCC1 1722474525 GDDIXPZBOPZSSZ-SEDAZVQISA-N 445.608 2.351 30 10 IEEE C=CCCCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722601808 WKWYLBNIPGCQGN-BRWVUGGUSA-N 439.582 2.069 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1722637473 JBDZYGOQLQSSDH-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C 1722680975 FBGZJFMSRGHFMD-CVEARBPZSA-N 428.624 2.351 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOC1=O 1726956194 IYAOAPUNUCCTIK-AWEZNQCLSA-N 425.493 2.169 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1729647389 DSVLPBRDRNLRHN-CVDCTZTESA-N 436.516 2.036 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1730663376 CSWXXENGHMTHLQ-SFHVURJKSA-N 426.521 2.070 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(C)CN(C)C1=O 1730750913 VGKIJMIEAARKRO-QHCPKHFHSA-N 433.516 2.276 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740617864 YDCKIKBHXILMAY-QLFBSQMISA-N 436.500 2.386 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1740674089 SRTGMKMFIQWCCD-VGSWGCGISA-N 443.573 2.457 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740711860 WBFKRRWYDSAIMS-QGZVFWFLSA-N 437.367 2.104 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740792869 MLHSISDMUGKWKQ-IKGGRYGDSA-N 448.568 2.171 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1740957388 MAPMVFFAEPPXER-UHFFFAOYSA-N 449.563 2.124 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1741801594 BQAPIPFNUSTJPE-IIBYNOLFSA-N 442.593 2.058 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1741876247 ASYGGTXSADLJGS-VGSWGCGISA-N 430.503 2.418 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN(C)C(=O)OC(C)(C)C 1742834467 GTYLHTYAFMBXCT-UHFFFAOYSA-N 440.552 2.437 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2c[nH]nc2C)CC1 1746523779 ALGCZSVPRBSRIV-UHFFFAOYSA-N 447.547 2.333 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CC1 1748847325 SCFZYURXYGXATA-KRWDZBQOSA-N 426.517 2.124 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCCCC2)CC1 1749003180 APBWEQWWGBBCAS-XMMPIXPASA-N 443.592 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749127362 KZQNZZFPDULCNJ-KDEOKCCVSA-N 443.470 2.366 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(CC)ns2)CC1 1749208986 IKKXOESCIUKWPG-RDJZCZTQSA-N 433.582 2.319 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749387109 RYWDDOVASAYIKE-HXUWFJFHSA-N 430.597 2.419 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749670482 RXUCOFRIRBYXOT-UHFFFAOYSA-N 442.539 2.318 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1749684439 WXBVDSZULFEOHQ-MRXNPFEDSA-N 444.561 2.161 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749762050 NBSIZYNGNOOIDG-OAQYLSRUSA-N 425.562 2.138 30 10 IEEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)CC1 1750384862 ROBNZKWHGPBKCR-UHFFFAOYSA-N 430.553 2.087 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC1(C(N)=O)CCOCC1 1760122698 QLNHEIZBFWUTFX-SFHVURJKSA-N 425.533 2.214 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1cn(C2COC2)nn1 1760226137 LNFNKBRPUVVSIB-UHFFFAOYSA-N 442.321 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1760265990 NKNZRRUAQDOMGA-UHFFFAOYSA-N 448.571 2.227 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1760294844 HTWJWVNZKQCPOC-FOIQADDNSA-N 433.603 2.434 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760555117 XITJFHGOYZNQEO-GOSISDBHSA-N 436.553 2.470 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)[C@H](C)C1 1760608371 DBEBDAKBJKNBCG-QGZVFWFLSA-N 449.559 2.180 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760691877 UFVVSZIGNJHOSG-INIZCTEOSA-N 438.536 2.134 30 10 IEEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1768106777 BXPAXKRQHNCWMW-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1)OC 1770778639 AZJYIGLAEHJZJY-CZAAIQMYSA-N 441.532 2.394 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCCC3)C(=O)C12CCCCC2 1854401355 OXSIWPSKSJIBNZ-UHFFFAOYSA-N 429.542 2.406 30 10 IEEE C[C@@H]1C(=O)N(C(=O)C[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854651219 SNMCEWWSLUJOBP-UKRRQHHQSA-N 425.457 2.132 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(F)c1 1856977926 JSBNVOUQAVQIEK-HNNXBMFYSA-N 429.473 2.078 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cn(CC=C)c(C(=O)O)cc3=O)cc21 1857890370 UGEAEZVVZWHQGJ-AWEZNQCLSA-N 438.436 2.294 30 10 IEEE CCCN1CCN(C(=O)[C@@H](CC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868797021 ZYEQDSIQDYUFLG-UXHICEINSA-N 445.633 2.474 30 10 IEEE CN(CC#CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Cc1ccccc1 1890897385 JENZSFCOHZILDE-FQEVSTJZSA-N 433.508 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891975422 CSVADGDIHITIAI-ZFWWWQNUSA-N 437.447 2.363 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1908610146 VQCFJSVCTBIPHR-CVEARBPZSA-N 439.553 2.192 30 10 IEEE C#CC[C@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(=O)O 2010078257 UEAPBBCUJAOLSS-FDDCHVKYSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068908764 UZRJDQKRIVZGNW-JOCHJYFZSA-N 436.358 2.396 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751764 IGUXPLPJKWTYEM-CJKQYIFKSA-N 436.358 2.442 30 10 IEEE Cc1ccc(CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)cc1C#N 2164486415 GCWKCKLMRYUXNF-OAQYLSRUSA-N 429.473 2.311 30 10 IEEE Cc1cnc(N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232267534 CRFKHAHCIBDLSS-WMZOPIPTSA-N 447.385 2.401 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2244987814 LXYUYDDRJFPVNX-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE Cc1nc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247835799 QQFADAUJKDYSDW-LBPRGKRZSA-N 439.343 2.031 30 10 IEEE CC1(C)OB(c2cccc(CS(=O)(=O)N(CCO)Cc3ccccc3)c2)OC1(C)C 2247951522 JSXUFLBQTBIWEJ-UHFFFAOYSA-N 431.363 2.310 30 10 IEEE CC1(C)OB(c2ccnc(N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2F)OC1(C)C 2254789368 BGUQUSZNOSQHMR-LBPRGKRZSA-N 431.239 2.415 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]23CO[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)C1 2255189527 JMVMPRZJIVIALL-HTALJUECSA-N 449.548 2.234 30 10 IEEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)NC(=O)OC(C)(C)C 2255630663 NFGPIPCPZLESIH-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE CN(CCCCN(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255631229 VTKPAKFTXULNDS-UHFFFAOYSA-N 436.362 2.428 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256059020 FNXHUUAIEMPXAP-KBPBESRZSA-N 430.314 2.305 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[nH][nH]1 2256618940 TZACOBXHBQTUJV-UHFFFAOYSA-N 429.286 2.125 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267137226 PJFWPLZUSYTLOT-HOCLYGCPSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2CCC[C@H]21 2267141331 JEBGFYPBYLELTE-VNQPRFMTSA-N 446.357 2.227 30 10 IEEE CCn1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2267179467 QMDSCLCSCYCHPP-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267273100 HWWCJCXZVQFLEU-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)OC(C)(C)C 2267275661 QNZFLGCLALLISJ-NXHRZFHOSA-N 445.369 2.452 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2267584621 JIJLSOZTTGODHB-QZTJIDSGSA-N 446.353 2.004 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267608305 VPNOCQMKXOUBOO-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267609407 PJKJETGNSVBUGI-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C[C@]23C[C@H]3NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268717624 LXZMKVCAURYGSC-IEROGBPDSA-N 444.341 2.326 30 10 IEEE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(C)cc(C#N)c1)NC(=O)OCc1ccccc1 2286031602 RBZGGKZMVNAZCP-GOSISDBHSA-N 431.470 2.076 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)C=Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2328155800 YXUJGHRPFQCCHL-HBGVWJBISA-N 431.492 2.048 30 10 IEEE Cc1cnc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2334272171 ZKGNAHZTNRIXCT-OIISXLGYSA-N 443.353 2.427 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)n1C 2337285067 JEGGLLDVNXMVOZ-VQIMIIECSA-N 438.381 2.421 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1C 2337397530 CZFOGFOOQKVKJZ-QFBILLFUSA-N 438.381 2.278 30 10 IEEE CCCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1c(N)n(CCCC)c(=O)[nH]c1=O 29758079 UTFJRLCLVLCFJV-OAHLLOKOSA-N 427.505 2.391 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H]([C@H]2CC=CCC2)[C@@H](C#N)C(=O)N3)CC1 72444772 CEUYQNANZWNWGD-NUEKZKHPSA-N 425.489 2.081 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3C(N)=O)C2=O)cc1 96546344 GJPCNBMEZUMSGB-HSZRJFAPSA-N 436.468 2.146 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 254464037 WQWSMHXGDUAORP-UHFFFAOYSA-N 431.474 2.466 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCc3c2cccc3S(N)(=O)=O)ccc1C(F)(F)F 443414601 GBOSBDMPKPZDJC-UHFFFAOYSA-N 445.444 2.366 30 10 IEEE C=CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447267658 PGPKIUVFOHAYBG-UHFFFAOYSA-N 449.374 2.100 30 10 IEEE COc1cc(CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)ccc1C#N 460593606 AKLJFUCXVDGILQ-UHFFFAOYSA-N 428.297 2.468 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccoc2)n1C[C@H]1CCCCO1 461830202 KIZIRIMLWSKBHS-FUHWJXTLSA-N 434.504 2.484 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2)CC1 489184363 ODIDWHGCKFWCHR-HSZRJFAPSA-N 431.540 2.231 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)C2=O)cc1 489238361 VNBBNWHERHHGCH-YLJYHZDGSA-N 438.434 2.107 30 10 IEEE COc1ccc(C=c2sc(=CC(=O)C3CC3)n(Cc3ccccc3C#N)c2=O)c(OC)c1 502466270 HJOADCGTTVXRRK-UHFFFAOYSA-N 446.528 2.435 30 10 IEEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 505019224 RWCDKXWPCLUERU-UHFFFAOYSA-N 432.546 2.342 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1nnc(C)n1C1CC1 506863494 WYDQHYOYNIJLMV-KRWDZBQOSA-N 442.501 2.185 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 509010618 HKUKQXBMIPKWRH-MRXNPFEDSA-N 441.623 2.053 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC(C)(C#N)CC2)c1C 509410378 IIZDMOXQTMFVFW-MOPGFXCFSA-N 433.574 2.196 30 10 IEEE COc1cc(CNC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)ccc1C#N 515932738 UIYDEADCRKLZCF-UHFFFAOYSA-N 438.484 2.252 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1=O 527314315 GVBVUIMQZGKUCO-UHFFFAOYSA-N 434.168 2.383 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)C1 549540298 ORACXLBZTRWZBE-FQEVSTJZSA-N 437.525 2.400 30 10 IEEE N#Cc1ccnc(C(=O)NCCCCN(CC(F)(F)F)C(=O)c2cc(C#N)ccn2)c1 590340063 ZUQZFMJYKCIDGU-UHFFFAOYSA-N 430.390 2.435 30 10 IEEE COc1ccc(/C=N/Nc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)cc1 606631376 ZIDRJXFYHPEODT-ZMOGYAJESA-N 432.484 2.245 30 10 IEEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@H]1CCCO1 730138139 JISLFKZBQHMYEV-MJGOQNOKSA-N 432.590 2.427 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cc(Br)ccc1N1CCOCC1 746100036 AUSQVMBPMSTZGC-HNENSFHCSA-N 449.305 2.141 30 10 IEEE C=CCn1c(-c2ccncc2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747831115 YTVYMUNAXCXAKN-LUKYLMHMSA-N 443.529 2.045 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 754309114 CFBOQIQSVFJQGJ-MAUKXSAKSA-N 440.500 2.328 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)c(C)o1 767956803 YLOWUBYKADYFMK-UHFFFAOYSA-N 433.533 2.293 30 10 IEEE COc1cc(OC)c(Cn2nccc2NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)c1 779481794 AKJGUEKQTVEGEL-INIZCTEOSA-N 440.504 2.161 30 10 IEEE C=CC[C@]1(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 790244408 GWNQHJHGYOREBF-GAJHUEQPSA-N 434.581 2.144 30 10 IEEE C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)C1=O 790352779 FVLRNMIOWWPKJH-NRFANRHFSA-N 442.472 2.401 30 10 IEEE COc1ccc(CNC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1C#N 790783842 ZJJJYEBAYYOGPN-UHFFFAOYSA-N 428.514 2.085 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccnc2F)C1=O 794426640 KFYFROQWPNWSRS-QGZVFWFLSA-N 429.521 2.420 30 10 IEEE C[C@@H](C(=O)OCC(=O)N=c1sccn1Cc1cccc2ccccc12)n1cnc(C#N)n1 798743767 KZBYGKYBHRXWRM-HNNXBMFYSA-N 446.492 2.446 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(F)cc1Cl 805091815 QSYGPFCAUKNCED-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccnc(C(F)(F)F)c2)c1 808498842 XRCHTEFOBYAEPD-UHFFFAOYSA-N 426.372 2.052 30 10 IEEE C=CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 811489986 JSKIHOKBBGWCKZ-MFEFFIJZSA-N 436.508 2.424 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(Cl)cc1 811960614 DSFOWIOJRDEMRF-KRWDZBQOSA-N 436.921 2.335 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCO1 812442072 OSPOVMQOTLTDDQ-OALUTQOASA-N 443.548 2.228 30 10 IEEE CC(=O)Nc1cccc(-n2cnn(CN3CCN(c4ncccc4C#N)CC3)c2=S)c1 914566098 ORRAYPOWGBFAIW-UHFFFAOYSA-N 434.529 2.408 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cn(-c3ccc(Br)cc3)nn2)CC1 1115838149 FFGYMDDWTXEXTM-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cnc4ccc(F)cc4c3)CC2=O)cc1 1116790045 OCQZCNVERHHLEE-OAHLLOKOSA-N 438.440 2.104 30 10 IEEE C#C[C@H](NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)[C@@H]1CCCO1 1138446320 IORSOKXUPHCNAJ-RDBSUJKOSA-N 439.463 2.308 30 10 IEEE C#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1141043342 VRQIENMIUXLVIE-IRLDBZIGSA-N 426.538 2.232 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](N3CCCC3)C[C@H]2C(C)C)s1 1180543122 KJMCEZPFOFBDLT-AEFFLSMTSA-N 425.620 2.476 30 10 IEEE CCOC(=O)c1c(NC(=O)NCC(=O)N(CC)c2ccccc2)c(C#N)cn1CCOC 1216501834 FJJWDYJWTBQJNT-UHFFFAOYSA-N 441.488 2.357 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1253779059 IYIGOJZYUBLOGU-IBGZPJMESA-N 435.590 2.428 30 10 IEEE CN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C#N)ccn1 1269436182 BLDGJYKVOGZSHV-KRWDZBQOSA-N 429.458 2.068 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1286348536 LCQQUKWSOIJJLB-QGZVFWFLSA-N 448.527 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](F)COC 1286409732 SVONVOLCSULJLA-KRWDZBQOSA-N 436.491 2.122 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1286478899 DHHHWOQZBMFZPF-QGZVFWFLSA-N 445.951 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1286493229 MFEYICBLWBJPPR-YKSBVNFPSA-N 443.592 2.171 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1286505239 YLSNBRFPOGFURF-UHFFFAOYSA-N 426.590 2.255 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 1286508232 PCDMOJVJBCHPEN-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286613110 QTSRADLAZGNERN-KNQAVFIVSA-N 430.553 2.117 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1286726085 AWLOEKYZJGLDKG-CQSZACIVSA-N 445.467 2.187 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCCc1cnn(C)n1 1286740914 BCTFETRDXRQWHZ-UHFFFAOYSA-N 434.548 2.468 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1286747399 LSIQAWOAPXWIDT-PXNSSMCTSA-N 442.539 2.282 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286825444 RCEADFJMMIYSGG-GOSISDBHSA-N 448.637 2.123 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1288529001 FCMXAXZPKBADFJ-IWHJNQCMSA-N 425.518 2.195 30 10 IEEE CC1(C#N)CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(C)(=O)=O)CC1 1288982833 BDWXCGYYBUDAMP-UHFFFAOYSA-N 442.589 2.427 30 10 IEEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2ccc(C#N)cc2I)C1 1288997237 QCRIGWZIBQGYQJ-CQSZACIVSA-N 441.269 2.375 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CCC(C)C)n2C[C@]2(O)CCN(C)C2)cs1 1290404715 KWMDGUSCMJDGLP-NRFANRHFSA-N 431.610 2.467 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1295826776 AREMNLFWORVUEP-FQEVSTJZSA-N 442.589 2.314 30 10 IEEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 1298080260 ZAXFUXARGGFTLG-JOCHJYFZSA-N 437.592 2.315 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCCCCCO)cn1 1298817674 GFWAPSLYLWMCAF-UHFFFAOYSA-N 434.548 2.430 30 10 IEEE COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC[C@H]2C)cc1 1300260432 GEPQSIJUJZXVNA-ZWKOTPCHSA-N 428.537 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1300282296 HCBHDPXQWULJGS-DLBZAZTESA-N 438.557 2.266 30 10 IEEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300340409 ZGDXISINZGTKCE-OALUTQOASA-N 437.610 2.226 30 10 IEEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1300416363 DNBQERVSIIPJFB-UHFFFAOYSA-N 440.573 2.282 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300484000 NOOFPFRUZXUBRY-IRXDYDNUSA-N 440.635 2.331 30 10 IEEE C#CCN(c1nnc(CC)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1300498896 NTDDZJQJDZLAJK-SFHVURJKSA-N 444.605 2.188 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300499760 WOXUVZHRYYUWBT-HNNXBMFYSA-N 430.427 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1300529623 NMCFVMUKASJVPC-HXUWFJFHSA-N 428.418 2.202 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(C)C 1300579382 UNHDIMNTHKFPTB-OALUTQOASA-N 445.614 2.008 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccnc1 1300606096 DYCREXFLJJMYMO-UHFFFAOYSA-N 438.557 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1OC 1300664919 VXYJBEMUXAGOCA-LPHOPBHVSA-N 436.516 2.495 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300755410 RVAMMJAIMSZDSG-MRXNPFEDSA-N 445.593 2.491 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301463462 XUDDDEMSBFTXRT-UHFFFAOYSA-N 426.550 2.335 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301585306 LNSZEIHHBJCWCP-LJQANCHMSA-N 427.530 2.206 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1301612983 SLNGWETZLLKJMU-VQTJNVASSA-N 434.654 2.308 30 10 IEEE CS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1 1302471620 YKASZYKBDDFUAS-HNNXBMFYSA-N 433.444 2.382 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCOC2)nnc1N1CCCCCCC1 1303096366 RNTKXYTZFGMFNL-UFVMTTLYSA-N 428.537 2.469 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1304902451 BDTFHDSFZLOVSP-CYBMUJFWSA-N 426.431 2.124 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1305793253 XPDYZJIGAMTAAC-QGZVFWFLSA-N 443.527 2.179 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(C)=O 1314221469 ZCEMUVIUZIZECS-OAQYLSRUSA-N 430.484 2.224 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccccc2OC)n1Cc1ccc(C#N)o1 1314523337 CDKIXKVWPNUFJR-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1358930880 IBQUXZNOVPEQTL-UHFFFAOYSA-N 427.524 2.400 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCn1c(O)nc2ccccc21 1358984343 QXMZVXPQPPLYLR-UHFFFAOYSA-N 447.543 2.415 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCOCCOC 1358987297 ZWJNGDATMXPLDN-UHFFFAOYSA-N 434.338 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCOC 1358991726 MMBIAVVOUVEHMR-UHFFFAOYSA-N 432.528 2.472 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359048112 FVHKQMZQAYQCDL-GOSISDBHSA-N 446.621 2.013 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359095229 LRBGTOIKNQUDFK-AABGKKOBSA-N 441.557 2.421 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCC1 1359277211 FRRCYDORGYBFQB-KRWDZBQOSA-N 434.562 2.313 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1c[nH]c2ccccc12 1360671365 FDEQUGPOKCLSDR-HNNXBMFYSA-N 441.561 2.352 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)CC[C@H]1NC(=O)N(c3ccc(Cl)cc3)C1=O)CC(=O)N2 1436603998 QVUQEJFHHAAHPO-MRXNPFEDSA-N 437.843 2.402 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)/C(F)=C/c2ccc(F)c(C(F)(F)F)c2)CC1 1443360182 UYSCYMQNPMTZSZ-ATVHPVEESA-N 429.389 2.439 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@]3(C(=O)OC(C)(C)C)CCOC3)C2)C1 1452948787 ATQUHRMKJMMSFR-MRYNLBDYSA-N 449.548 2.390 30 10 IEEE C[C@@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1460865909 GSJVAYUGPHIRHY-KNQAVFIVSA-N 430.549 2.179 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(F)(F)F)CCC(F)(F)CC1 1463258712 OVUWFVTYOCBACN-UHFFFAOYSA-N 425.379 2.352 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccccc2S(C)(=O)=O)n1 1464710735 ABOPSIUCKUPFSG-UHFFFAOYSA-N 435.556 2.456 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(C#CCO)c1 1467350598 VUUMBFYDTXMXAA-FQEVSTJZSA-N 443.544 2.056 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c1 1469583356 VNQZNJFNQSVIRW-MSOLQXFVSA-N 447.557 2.164 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCC2(O)CCN(c3ccccc3)CC2)cc1 1471018307 QJDUMUVNMNPFBH-UHFFFAOYSA-N 443.569 2.302 30 10 IEEE CC1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1494051526 QASCOXMHVXKXPG-JOCHJYFZSA-N 431.560 2.355 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1503213011 CHCNDXHKHKTLFJ-JTSKRJEESA-N 427.505 2.149 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1503461412 AOKFJHFNOQDLSG-QGZVFWFLSA-N 442.570 2.387 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1CCOC1 1504873875 MCCRDMQDWMDYNY-VQTJNVASSA-N 438.532 2.180 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1505135737 YVJXDQBXVBOCLO-UHFFFAOYSA-N 442.545 2.008 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)NC(=O)OC(C)(C)C 1505279234 HGHFDFTUQYPIKH-OAHLLOKOSA-N 439.520 2.056 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507557022 GVRXAIRJRVEUHY-LJQANCHMSA-N 445.571 2.409 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1507605396 QQSAANYTQYMGAX-MRXNPFEDSA-N 430.553 2.275 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(COC)CCCCC2)CC1 1507741158 MSVYDDHPDIJJET-UHFFFAOYSA-N 431.581 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2CCN(C3CC3)CC2)CC1 1507742956 SVZYHKLGGVMKAV-UHFFFAOYSA-N 426.609 2.317 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507833294 JALXXHGNAATALX-UHFFFAOYSA-N 440.523 2.468 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507959237 KKUPRUXKNCUPDM-FQEVSTJZSA-N 425.533 2.365 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1508021833 UNAQJALWURDHOZ-GOSISDBHSA-N 435.550 2.048 30 10 IEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508061575 QEXUWMNAJGBITK-KSFYIVLOSA-N 430.553 2.438 30 10 IEEE CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1514727790 ZXNBLQNDGMPXHH-UFVMTTLYSA-N 428.537 2.325 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1518745499 GBHAWBPGRCGAPL-APWZRJJASA-N 428.512 2.494 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1539220747 VBIZFTJBGLNPEB-UXHICEINSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539257266 QECYBWPMLBCXLT-PKOBYXMFSA-N 437.548 2.397 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1539266900 VCQIJHXKBYYZDU-SJORKVTESA-N 446.960 2.374 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(O)CCN(C(C)C)CC1 1539279238 ZEVKNVNOUCKSQG-UHFFFAOYSA-N 439.535 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@H]1C(C)C 1539409293 VTBBSQUKTXJIRK-JXFKEZNVSA-N 429.521 2.153 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCCCCC2)CC1 1539427958 KNRXJSNGHZIPAF-UHFFFAOYSA-N 430.597 2.037 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@](C)(O)CCC)CC1 1539444614 RJNYIQYKXTZFRZ-DEOSSOPVSA-N 433.560 2.437 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1540868898 VTLHUBCNQDAUKF-OAHLLOKOSA-N 438.561 2.440 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1540868915 WICXJOSPVBBPEW-UHFFFAOYSA-N 434.548 2.217 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCSC1 1548326012 BOMFPQGIGOPNNW-GOSISDBHSA-N 448.618 2.430 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1548326093 ONGGBBVIEBXKDL-LJQANCHMSA-N 446.577 2.104 30 10 IEEE C[C@H](CC(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557595358 YHJCJCJKFHBAHM-SPLOXXLWSA-N 435.546 2.227 30 10 IEEE C=CC[S@](=O)(=NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1ccccc1 1558718461 IIIRKWQJTBRYLZ-IDJQYWQCSA-N 426.502 2.196 30 10 IEEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)CC3(C#N)CCCCC3)CC2)cc1 1565622249 FEFIEIBTXWCJLD-UHFFFAOYSA-N 432.590 2.282 30 10 IEEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1)c1ccc(Br)cc1 1584709152 XZPRKWGGFUSKKX-YJBOKZPZSA-N 445.317 2.136 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 1587113818 IJABKQAXVVGVMZ-BLLLJJGKSA-N 444.351 2.138 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C4CCOCC4)CC3)C2)C1 1587470341 DGDONEOIOUVPJD-FRIYVGAWSA-N 432.565 2.096 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1587855841 CFBPJPHLWVJWEW-MRXNPFEDSA-N 427.471 2.480 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCc2ccccc2C1 1588088945 CTJSVRDXOOQHHR-QFQXNSOFSA-N 447.583 2.450 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1588459415 VSVPXOVGTKHPMX-GBESFXJTSA-N 446.596 2.229 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1588482925 YINOBBMWAXWSRD-QGZVFWFLSA-N 427.505 2.487 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCSC2)CCOC1 1610430958 MSTURBGSBWXCNF-LEWJYISDSA-N 435.594 2.317 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1612292176 LLHYRXBCUXRZLK-QFIPXVFZSA-N 445.589 2.369 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1617536014 QPMMUQKPAFDSTB-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)c(OC)c1 1619191418 VBXAPQMXVITVFL-HRAATJIYSA-N 431.468 2.210 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1-n1cccn1 1619913039 SRUVBGNQAIFKFI-LJQANCHMSA-N 436.520 2.168 30 10 IEEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)CCC1 1622789286 INEMXENJIKHMEF-INIZCTEOSA-N 433.530 2.328 30 10 IEEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1628391915 RXTMNABXGACKOY-PXAZEXFGSA-N 441.431 2.359 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)CNS(=O)(=O)c3ccccc3N)c2)s1 1628412263 SJJLIYGPBSUOPJ-UHFFFAOYSA-N 426.523 2.464 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1 1630062666 DNNZTASZUSAVMG-BAGYTPMASA-N 436.533 2.370 30 10 IEEE CN(C)C(=O)c1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1634149510 ZZKBYPCZRMIVNF-UHFFFAOYSA-N 428.290 2.492 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCCC(C)(C)[C@@H]3C#N)CS(=O)(=O)[C@H]2C1 1634844785 HUVXJUBZLNJTIS-NCOADZHNSA-N 439.578 2.197 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)c3ccc(Br)s3)C2=O)cc1 1635701315 ODXAMLYSBQJENG-CYBMUJFWSA-N 432.299 2.482 30 10 IEEE COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)N[C@H](C#N)CO)c2n1 1636609457 OTRIVRAAFGNWOH-GFCCVEGCSA-N 433.390 2.435 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1637986952 WVSXVFWOGBTSLU-INIZCTEOSA-N 437.315 2.364 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 1638075702 SVRIWPSRGOINAT-HNNXBMFYSA-N 432.318 2.039 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2c(I)cnn2C)C1 1639270208 RCILXACWXVVWES-CQSZACIVSA-N 435.269 2.247 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n[nH]2)c1C 1639974141 XGYQDKGLGJQDCU-IBGZPJMESA-N 443.511 2.479 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H]3CCCN3C[C@@H]2CO)n(-c2cccc(F)c2)c1C 1644412327 PFRXJGFVARMIDC-VQTJNVASSA-N 425.508 2.184 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c1 1644493054 XICGHJLHAMDAQM-QHCPKHFHSA-N 442.516 2.028 30 10 IEEE O=C(NCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ncccc1O 1648125676 NGJUQFIZTQZLGU-YUMQZZPRSA-N 447.282 2.146 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1nn[nH]n1)CC(C)C 1651180722 KXNDDKXQKHXYHZ-UHFFFAOYSA-N 437.298 2.296 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1687266023 SMDDWSPPXYIJTF-HXUWFJFHSA-N 445.564 2.337 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccccc12 1690047014 KHFMOBDNWIZSBM-LJQANCHMSA-N 435.553 2.367 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1690152363 IRBGADHKOZPWGQ-TZIWHRDSSA-N 431.581 2.232 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCN(C)C2)CC1 1690406713 PQNLFTLEYXEDMS-QHCPKHFHSA-N 427.549 2.431 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCOC2)C1 1690712062 MVCZZOKBJMHQAK-AUSIDOKSSA-N 428.533 2.407 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1690744347 NDXVQFXYKKZEHK-INIZCTEOSA-N 428.624 2.352 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1692663028 KBPBVLGUTUGPEA-HOTGVXAUSA-N 434.541 2.240 30 10 IEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC 1695095023 DWEVFMPFGSOXBF-LJQANCHMSA-N 426.521 2.103 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C1CC1 1705479650 NMLOOQCJCMLMMO-HOTGVXAUSA-N 443.621 2.487 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCS(C)(=O)=O 1705606281 OBBCAQWFYQVNIH-UHFFFAOYSA-N 429.315 2.351 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705641314 ADKTURAVXPREEL-GOTSBHOMSA-N 437.588 2.260 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705666178 QVBGKCFWCWZHJS-UHFFFAOYSA-N 441.601 2.381 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1705843724 MHFOSPUTGLNHIL-LJQANCHMSA-N 426.546 2.096 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705897604 POJZRFNLWQNPAI-MISYRCLQSA-N 427.549 2.362 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1706633412 DQPYFWXSLMABEK-UHFFFAOYSA-N 431.500 2.395 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ccccc2)CCOC1 1706678090 BRVJIYORWHODCK-DENIHFKCSA-N 427.505 2.126 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1708817982 FPOSBHVMGYQZEU-UHFFFAOYSA-N 440.548 2.099 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1709211229 KJNAIWQACDJUNM-OGWMBBJDSA-N 435.532 2.415 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1711406196 CLASPVPNZPSGPR-IBGZPJMESA-N 448.531 2.112 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1712521266 IGHFIIYHCGKDBW-MRXNPFEDSA-N 447.561 2.194 30 10 IEEE COCCOCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1712610701 GNLVJWBIDYWWGN-INIZCTEOSA-N 435.912 2.389 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1722336894 RPBJDCMCXGZBPM-NRFANRHFSA-N 448.571 2.484 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1722368394 QZTHMABXIOIFSJ-GOSISDBHSA-N 431.562 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(OC)c1)N(C)C 1722400878 CSECTQPTUQZWDA-JOCHJYFZSA-N 448.571 2.175 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1722410265 YGKHUXPEXRKDMA-LJQANCHMSA-N 433.560 2.407 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cnnn2C)CC1 1722435971 TXGPHLIECYAKRJ-UHFFFAOYSA-N 448.575 2.302 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1722467625 UMDBULLREIRFOX-WHSLLNHNSA-N 449.552 2.487 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722535250 CQDZWTRWFQIVLA-HSZRJFAPSA-N 444.580 2.418 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(c2nc(C)no2)CC1 1722536354 UNADIIVFYCFCKU-UHFFFAOYSA-N 429.525 2.069 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1722681707 QTGBGCRBQMFDDM-SFHVURJKSA-N 427.505 2.426 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](COC)C1 1722725335 JLODPVLEPURNKE-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1722863456 KAUHMJXGVRXIEW-MRXNPFEDSA-N 427.509 2.107 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1722870284 QZYXEXUPKHMYFC-HNNXBMFYSA-N 444.586 2.416 30 10 IEEE CCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1727909356 DRNVYPSXUYBXIP-FCHUYYIVSA-N 442.543 2.445 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1C[C@@H]1C 1730868524 ISIRXERVSWDMMC-FJIDUMEYSA-N 440.552 2.035 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCC(=O)N2)c1 1740564268 HIZHFXLEBFSDFH-HXUWFJFHSA-N 434.544 2.346 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628633 ZFCOBBPWMBFVTQ-UXHICEINSA-N 449.621 2.022 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1COc2ccccc2O1 1740631500 JVKAGHLFOAWNHE-CYFREDJKSA-N 436.512 2.232 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](Cc2ccccc2)OC)CC1 1740697802 GWCOZNCWRBYWEY-QHCPKHFHSA-N 430.556 2.277 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1740918315 NYWMSJABZJOJBX-HXUWFJFHSA-N 445.589 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2N(C)CCCC2(C)C)C1 1740983969 TZJRAASTRYIVOJ-OALUTQOASA-N 430.597 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCCCC1 1740993326 XQEYYQHDDPNBBE-UHFFFAOYSA-N 428.562 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740995054 YMXPLPWYOSAWMS-KSZLIROESA-N 435.594 2.016 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(F)c(Cl)c1 1741904060 HPMRUDMLBGRFHZ-RYUDHWBXSA-N 428.921 2.467 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@](C)(O)CCC)c1 1748692765 NRWVEROXKZVBTD-QHCPKHFHSA-N 433.516 2.342 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1748718542 KHEJOPNLPJZTJG-QGZVFWFLSA-N 427.578 2.478 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748817169 GDIQCPRXMXBCED-SFTDATJTSA-N 443.617 2.333 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C(F)(F)F)CC1 1748994767 QHKAPEWRWYOGAF-UHFFFAOYSA-N 446.477 2.223 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749031685 GEUOITHTXCFNIA-IBGZPJMESA-N 425.562 2.444 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749044747 TUIDXKNHUNKPIV-MJGOQNOKSA-N 440.573 2.123 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)CCCOC)CC1 1749293421 MQUHNIYBLMCQDV-UHFFFAOYSA-N 447.605 2.473 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749703630 LYBNOTUTPQXURE-RTBURBONSA-N 445.589 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749727649 ZKBXQRQYSPLRRM-SFHVURJKSA-N 440.573 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760100075 QLFDMHWTFSJATF-PABYOWBDSA-N 433.597 2.276 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760156317 CEECWYVIXMOENN-IBGZPJMESA-N 426.590 2.087 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188450 KZYBIIAPHCDAIJ-LJQANCHMSA-N 441.532 2.292 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760250426 ZKNKLHALDNDYLT-GOSISDBHSA-N 433.553 2.125 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC)N2CCCC2)CC1 1760272067 XEYWWJNDRYVJAF-JOCHJYFZSA-N 449.603 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1760324573 LBRCIWUXRAZEBR-RXVVDRJESA-N 446.573 2.382 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1760351208 BZSCKWXFHMRCAS-QFIPXVFZSA-N 429.521 2.257 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1760400995 WPJFJZWMAHLCJH-FQEVSTJZSA-N 440.596 2.024 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760425010 BIZITLHUDZQSLM-OAHLLOKOSA-N 430.582 2.326 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760713078 IUBYHVLDACPPND-SJORKVTESA-N 438.488 2.093 30 10 IEEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1760775250 PTXNBURRSXBBKQ-IIBYNOLFSA-N 434.516 2.481 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)C 1761396149 IBLWNRMQVSGGLX-APWZRJJASA-N 430.578 2.170 30 10 IEEE Cc1ccccc1[C@H]1C[C@H](n2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1762144141 ALVLDPGZQCEXJA-BRSBDYLESA-N 444.561 2.044 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC[C@@H]1C 1766408169 VISLOWIYAIUJPA-PKOBYXMFSA-N 425.537 2.080 30 10 IEEE COC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1767968605 QMAPHYBQQWWCSW-JQHSSLGASA-N 446.577 2.057 30 10 IEEE COc1ccccc1-c1nnc(N2CCSCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1770414453 JPCUEPSIAZATCT-CZIZESTLSA-N 440.529 2.033 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770797009 UDWWHVQCEKJINW-SFTDATJTSA-N 442.539 2.350 30 10 IEEE COCc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1770849616 BQMHOKILMXMIGD-OFNKIYASSA-N 441.532 2.242 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCSC2)C1 1771365993 HRBFDCYXJJSIOQ-FQEVSTJZSA-N 446.602 2.089 30 10 IEEE C=CCN1C[C@@H](C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)CC1=O 1850282281 BPOFNYQMOPVSJT-INIZCTEOSA-N 442.483 2.283 30 10 IEEE C#CCSCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 1850464343 JGXWAJCBJSOTBK-HXUWFJFHSA-N 441.597 2.323 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c(C)c1 1851585688 MGXCEUZKLHFNFZ-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2CCOC2)c2ccccc21 1854251907 VOCXAUXSZPTLEG-MRXNPFEDSA-N 425.466 2.053 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2cc(C)c(Cl)c(C)c2)C1=O 1854330570 MZMZCIXWVUBTLR-ZWKOTPCHSA-N 433.936 2.182 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCc3cccc(Cl)c3)C2)CC1 1857027268 WUZPCZIAQNDXPA-QGZVFWFLSA-N 437.949 2.213 30 10 IEEE CC(C)N1CCCC[C@H]1C(=O)N1C(=O)C[C@@H](C)N(S(=O)(=O)CC#N)c2ccccc21 1857467231 BXYHGIOYSWRDMX-APWZRJJASA-N 432.546 2.261 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)CSC3CCCC3)C2)C1 1857471777 NEZCWYCFNNYWON-MRXNPFEDSA-N 428.558 2.457 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccncc3)CC2)nc1 1858445366 AQTGCSQXPHXSCH-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862600652 OMZOFRYLRAJVOC-ZMZPIMSZSA-N 429.425 2.074 30 10 IEEE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](CO)C(=O)Nc1ccccc1C#N 1867217915 YHCUBESBQZZWRE-FQEVSTJZSA-N 430.464 2.055 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1 1868920329 DJGSRPXYLNDIAP-UQCBTIDJSA-N 433.574 2.436 30 10 IEEE C#CCOc1cn(CCOCCO)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1871007589 JGHOHQIJUUUOAQ-UHFFFAOYSA-N 430.501 2.279 30 10 IEEE C=CCn1c(C(=O)NCCCCN(CC)CC)cc2c(N3CCC(O)CC3)ncnc21 1873595116 PCHASQCFNJYCNV-UHFFFAOYSA-N 428.581 2.430 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@@H]3C#CCN(C)C)SCC(=O)N2C2CC2)cc1 1889885385 ONPMSIFWKGEZLP-CDNPAEQRSA-N 441.597 2.399 30 10 IEEE CN(CC1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)CC1)c1ncccc1C#N 1890192362 IOWIMGXLXLSKHF-UHFFFAOYSA-N 425.924 2.208 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)NCCc3ccc(OC)cc3)CC2)CC1 1890399252 OUCXKPAMRIUOBD-UHFFFAOYSA-N 442.604 2.069 30 10 IEEE COc1ccc(-c2cc(=O)n(CC(=O)NCC#CCN(C)Cc3ccccc3)cn2)cc1 1891768136 CQMGREXVFGNPIH-UHFFFAOYSA-N 430.508 2.171 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1908210561 XEDSYVOGGXPHMD-GVDBMIGSSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2015645834 UBPDGOUHFMBMET-JYJNAYRXSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC1 2063391910 VICFVJDUAAPZIV-ZSHCYNCHSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128731687 XWUROPOQUNJTTR-GOSISDBHSA-N 446.353 2.238 30 10 IEEE COC[C@@H]1CCOCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172779351 BEAQHECQHFOFLY-AWEZNQCLSA-N 427.148 2.385 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2174778984 DKTFCHBGRWQOLU-LJQANCHMSA-N 429.498 2.183 30 10 IEEE C[C@@H](CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2232264766 ZNFQEABWZCWAPK-HJPURHCSSA-N 447.385 2.223 30 10 IEEE C=C(CS(=O)(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)B1OC(C)(C)C(C)(C)O1 2243415907 FBVDVGCFKKXUPS-UHFFFAOYSA-N 430.376 2.493 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773508 KQZRTNQBBVPRDB-CHWSQXEVSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2247863994 ZAJPRAGWKRGZGG-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255646400 VVHLVRJHJRMDAJ-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE CC[C@@H](CNC(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255655540 NUSWYZKVQDVFOI-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255860470 CVCCSIYMUFMPGV-UHFFFAOYSA-N 434.342 2.257 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@H]1NC(=O)OC(C)(C)C 2255873874 PAAQPRIZQXYWRY-GDBMZVCRSA-N 433.358 2.310 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cnc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c1 2256673357 SFRCNMXOQKAJEJ-UHFFFAOYSA-N 432.330 2.163 30 10 IEEE CC(C)(C)OC(=O)NCC1(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCOCC1 2256673811 GAUPZFDOENBGAB-UHFFFAOYSA-N 436.358 2.449 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2256916170 AFWLSOCZVVIQCR-KSSFIOAISA-N 429.278 2.367 30 10 IEEE CCN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267008980 IZVUHKNDPANWRN-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267169314 XICFBDWLTNKABF-GDBMZVCRSA-N 446.357 2.199 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267197721 NVMFIZIZGTUMJF-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267479838 QVOBYWBZMFYGAA-ZDUSSCGKSA-N 441.259 2.054 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267517549 VFLYTPHMFXVXQJ-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267524548 RKCPWPOTOGALBJ-CABCVRRESA-N 448.373 2.237 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2267526544 UKGHGSJOUXCYIY-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267536549 CTTAISWLQAAEGE-GJZGRUSLSA-N 448.373 2.093 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 2267599846 WLOPAMZLYZSIEV-FPOVZHCZSA-N 440.349 2.428 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270589805 CCZVZSXNUMTUGI-ZDUSSCGKSA-N 441.259 2.054 30 10 IEEE Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2312855095 WIMGQWHXOPHSBI-MELADBBJSA-N 449.382 2.488 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)c(OC)c1 2331273750 ZIJRREXLYHPYHP-UHFFFAOYSA-N 445.501 2.065 30 10 IEEE COc1ccc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2c1 26075812 OYQSKTPTCBIZAM-UHFFFAOYSA-N 436.493 2.262 30 10 IEEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)c2ccccc21 33268687 VZYVGBXXDSMKSZ-UHFFFAOYSA-N 432.524 2.315 30 10 IEEE CC(C)c1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444357 MNYHRZGILNLOEN-ZWKOTPCHSA-N 449.511 2.460 30 10 IEEE COc1cc(OC)c([C@@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1OC 72445509 FMRGUWRFSQBZGW-GUYCJALGSA-N 439.472 2.010 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 109863437 HUVURNNEQALJMA-VMPITWQZSA-N 436.281 2.214 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)n(C)n2)c1 219950379 UCRSXOLJGRGDSU-OAHLLOKOSA-N 434.456 2.059 30 10 IEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 254500362 VPUPMNZZWROIRI-UHFFFAOYSA-N 447.455 2.226 30 10 IEEE CCCc1c(NC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)cnn1-c1cccc(C#N)c1 439692310 JWRQNYPDDWCZOC-UHFFFAOYSA-N 433.520 2.473 30 10 IEEE Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 440193317 MGWQLHADNUADTA-GOSISDBHSA-N 437.891 2.823 30 10 IEEE COc1nc(N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)ncc1Br 441005412 AKPSGXLJPWDPFB-UHFFFAOYSA-N 437.342 2.409 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 468596582 BUMSXLBFNYTLBG-AEFFLSMTSA-N 440.500 2.344 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c(F)c1 481039733 OGOVKAPYYOWNDH-IBGZPJMESA-N 444.532 2.014 30 10 IEEE N#Cc1ccc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1Br 487996944 UZELQWFPTKAVCM-UHFFFAOYSA-N 427.324 2.353 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 505674043 OUJDMDKDXKSJKG-UHFFFAOYSA-N 431.470 2.242 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1Cl 511119240 DLPZRKYJEJFESK-KRWDZBQOSA-N 426.970 2.251 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 517507110 AYELKGBUTXWKJD-JOCHJYFZSA-N 425.577 2.342 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 520933337 YBZIXFNKFMXFKD-LJQANCHMSA-N 441.509 2.108 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 523638857 IJNSKALPPMBOOH-IBGZPJMESA-N 444.944 2.323 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N(CCOC)Cc3ccc(C#N)cc3)ccc21 546078226 JSFZZMZRTUKARB-UHFFFAOYSA-N 434.496 2.471 30 10 IEEE COCCOc1cc(NS(=O)(=O)Cc2cc(C#N)ccc2F)c(C(=O)O)cc1OC 547868775 LVFFUGCOEYRAEN-UHFFFAOYSA-N 438.433 2.371 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H]2CCCO2)n1 549848163 NKFPTVXZGAKUHX-LJQANCHMSA-N 430.516 2.421 30 10 IEEE CSc1nc(O)c(C(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1C#N 551075270 JQSQZTZSNJRXKW-UHFFFAOYSA-N 434.543 2.245 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 566827758 DVZWMRKZIQQYIB-KRWDZBQOSA-N 429.502 2.241 30 10 IEEE N#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 609330571 UFTUNCXDRVYJCF-UHFFFAOYSA-N 438.553 2.151 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 670206146 NMPRBDLMJPXBSD-HNNXBMFYSA-N 428.541 2.136 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1-c1ccccc1C 728558107 YLAQCPAMVZWBDW-UHFFFAOYSA-N 446.576 2.451 30 10 IEEE C[C@H]1CCCN(c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2[N+](=O)[O-])C1 732157190 XPYIIRVDAMZQMB-WDWGUKLMSA-N 427.461 2.087 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732649455 WELQGZWSZJPCLE-SFHVURJKSA-N 446.573 2.072 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)CCN1C1CC1 732707305 XPJDLQICJPTTRU-GOSISDBHSA-N 441.507 2.482 30 10 IEEE CCCc1cc[n+](/C(C(=S)NCCNS(C)(=O)=O)=C(/O)c2ccc(C#N)cc2)cc1 762441175 VXEXDCJRQXFJJD-UHFFFAOYSA-O 445.590 2.148 30 10 IEEE C[C@H](CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 762549662 UICSSYLZHROEII-MJGOQNOKSA-N 440.569 2.237 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(-c3ccccc3C#N)c2=O)cn1 772301134 ASNXJPJPBJCFCJ-UHFFFAOYSA-N 449.495 2.454 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCCc2c(C)nn(C)c2C)C1=O 774583089 QCFMRWABCBRTIP-FOFUNRBPSA-N 442.589 2.043 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(CCOCC)c2=O)cn1 794613146 NLSAVENBRCPIHE-UHFFFAOYSA-N 430.574 2.061 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)CC1 796981521 GWTAGXIQQURANC-OIISXLGYSA-N 449.529 2.380 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N(CCC(N)=O)c3ccc(F)cc3)CC2)c1 803924041 IQKLLZZNPGFJCR-UHFFFAOYSA-N 427.407 2.320 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 805785619 IFYRVSZTFUMHMG-VQTJNVASSA-N 431.492 2.328 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 809885161 AXMJKDISADNTQV-JLHGSKIFSA-N 449.552 2.157 30 10 IEEE C#C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812753123 YXNGMQRCTHFDFT-NRFANRHFSA-N 430.501 2.270 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)CC1 917882279 YYMNPVFHWNEIMB-UHFFFAOYSA-N 432.893 2.236 30 10 IEEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCOCC1 1124733625 XMKVGHFJTKPVGP-UHFFFAOYSA-N 445.463 2.249 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(C(F)(F)F)cc3N3CCCC3)C[C@H]1CS(=O)(=O)C2 1134057056 ZHUHSZPWGUBEAX-KSSFIOAISA-N 427.448 2.316 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OC 1151611789 XOARGXCTNWFSCT-INIZCTEOSA-N 431.493 2.034 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)c1 1157241852 BNAFOQFTGNFPSN-OAHLLOKOSA-N 437.493 2.350 30 10 IEEE Cc1nc(=NC(=O)c2ccc(I)c(O)c2)n(-c2ccc(C#N)cc2)[nH]1 1160836803 PGEMEFMEGSJAKC-UHFFFAOYSA-N 445.220 2.432 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCc4c(sc(N)c4C#N)C3)c2C1 1179869708 JPIBWKCUFWXGIV-UHFFFAOYSA-N 428.518 2.417 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2ccccc2Sc2cccc(OC)c2)CC1 1207303154 ZHZQIDONKUBTHV-UHFFFAOYSA-N 431.583 2.432 30 10 IEEE CC#CC[C@H](CO)NC(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1222481879 OHNKAJWBCMCKKJ-WIYYLYMNSA-N 430.526 2.262 30 10 IEEE N#Cc1csc(CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n1 1251295882 NHEAFVQMUSIAHM-QGZVFWFLSA-N 425.562 2.154 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1252506958 GRQJSOAYNNAXTJ-UHFFFAOYSA-N 445.564 2.051 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 1254738923 WCTDIICNEGYVGR-UHFFFAOYSA-N 425.239 2.346 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@]3(OC)CCS(=O)(=O)C3)c2)c1 1264326442 KYRTUNAXRGYSAK-QFIPXVFZSA-N 427.478 2.015 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1286297230 VBTNHFUDBYDDLP-MSOLQXFVSA-N 443.552 2.331 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@@H]2C1 1286316770 YTIPKHBQDRIZQM-INIZCTEOSA-N 433.354 2.360 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286397088 RJVFZEKKTMIWIT-JTDSTZFVSA-N 430.530 2.073 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(F)c2)CC1 1286408557 DAAMIJIAPLKENZ-KRWDZBQOSA-N 426.517 2.124 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1286437013 DZAKSBNAJDYMEZ-QHCPKHFHSA-N 431.581 2.427 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C(C)C)CC1 1286472012 CNMIGTQWTDGRSK-SFHVURJKSA-N 449.397 2.472 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286562740 MKIPNERYLHZODM-YGLGAKQISA-N 447.580 2.003 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1286619153 NOKFMGRKLPHDSA-PMACEKPBSA-N 440.548 2.177 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CCOCC3)c2)s1 1292235957 OFYBXSLORPXWHN-UHFFFAOYSA-N 435.571 2.226 30 10 IEEE CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cs1 1292728456 KHMYVRGLZPOHSS-CYBMUJFWSA-N 446.558 2.348 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293272366 LUINSMKYZQRQMK-ZNUSLJCYSA-N 428.537 2.323 30 10 IEEE C[C@@H](CONC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)NC(=O)OC(C)(C)C 1295155894 YGSAKGSXEHQEEI-AWEZNQCLSA-N 425.507 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)nn2)C1 1296994908 ZXPROQNWTJMWFN-UHFFFAOYSA-N 437.504 2.162 30 10 IEEE CCSCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297926118 HQEMBEWUEPXGHI-KRWDZBQOSA-N 444.609 2.165 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1300338745 FSPCBHZDDIRCOO-UHFFFAOYSA-N 448.531 2.348 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300487257 ILEWFQVDWIRNSU-GGPKGHCWSA-N 443.573 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1N1CCOCC1 1300545896 YOKINYNLRZBRLP-UHFFFAOYSA-N 443.555 2.097 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CCCCC1 1300665633 MHGPFLPUKIEWEQ-OAQYLSRUSA-N 445.608 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1301593806 UUXQOBSIULVBEA-BBRMVZONSA-N 437.393 2.436 30 10 IEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)(=O)CC1 1301606529 RNCBWYFWOYPJFG-UHFFFAOYSA-N 444.586 2.285 30 10 IEEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1 1303302074 ATTUDXMIPBSITP-IBGZPJMESA-N 444.605 2.418 30 10 IEEE Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1309610380 BYYDPAXBQFWRCB-DLBZAZTESA-N 449.508 2.112 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1315626801 XHQNBIGQWDPDIM-VGSWGCGISA-N 426.496 2.234 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCN2CCOCC2)CCO1 1316540978 PXTSBBZRSWKIMI-FQEVSTJZSA-N 444.967 2.363 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358869414 KBVHGXVTLDINSQ-SJORKVTESA-N 432.569 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C1CC1)N(C)C 1358874891 GBPZKHQDQCACDG-MAUKXSAKSA-N 443.621 2.345 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1358955043 CRRNPVVXVPYYEH-GJZGRUSLSA-N 428.649 2.051 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358960798 MCNRBMUPXYMMFI-CEXWTWQISA-N 444.605 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCCC1 1358997164 HKBOXSILSYWDLS-IBGZPJMESA-N 438.601 2.464 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2([S@@](C)=O)CCC2)CC1 1359038101 KOZHFYVQIGXLPA-WJOKGBTCSA-N 441.601 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOCC)CC1 1359097785 UAXCXSIZEXNOHH-CTNGQTDRSA-N 428.581 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1359333601 CVRAEYGIIQUJBS-IBGZPJMESA-N 446.573 2.168 30 10 IEEE CC(=O)Nc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)cn1 1359408197 GYHKMULXRFTSOO-HXUWFJFHSA-N 431.500 2.194 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1360471060 ZUTDAPZEKBJJRQ-IAGOWNOFSA-N 446.577 2.360 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1446578135 NSWLOKVTNSDALH-UHFFFAOYSA-N 435.333 2.287 30 10 IEEE C=CCC1(C(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)CCOCC1 1457240056 QGZKPWNLKHVJFY-UHFFFAOYSA-N 425.327 2.269 30 10 IEEE C#CCN(CC(=O)Nc1cccc(C(=O)OC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1460776741 AHHPSOVGCSBTRR-UHFFFAOYSA-N 430.505 2.141 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)CCc2c(C)[nH]c(-c3ccncc3)nc2=O)c1OC 1464942881 NUSGZOIWNQYVON-GOSISDBHSA-N 433.468 2.471 30 10 IEEE C=CC1(CC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1465292118 UGLKCBQPZFKTKO-UHFFFAOYSA-N 428.533 2.247 30 10 IEEE C#CCOc1ccccc1NC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 1466398703 RKQINBHMVWIVAK-UHFFFAOYSA-N 433.486 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)C2)C(=O)C1 1467267999 YHFICSAEOIPGNT-ORQYLMBXSA-N 430.549 2.387 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NC(c2cccc(C)c2)c2cccc(C)c2)CC1 1469224309 QRAPESCOEQPYOC-UHFFFAOYSA-N 440.569 2.188 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(C)C(C)(C)O)nnc12 1472562348 CFFFEDKWLVNCDZ-UHFFFAOYSA-N 429.546 2.236 30 10 IEEE Cc1nccn1CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1492705592 LFEKEJQASXPWMU-OAQYLSRUSA-N 437.483 2.353 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1494622789 QYVQKZWYLXQFEQ-AYOQOUSVSA-N 429.546 2.210 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N(C)C 1497132835 AVUWLJBMYWRNLN-MJGOQNOKSA-N 437.548 2.028 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1501550242 IHMSHVHPMONVGC-MOPGFXCFSA-N 427.530 2.175 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1503378627 DSUNAGSHOWXNRF-VQTJNVASSA-N 442.589 2.170 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1507589658 YGCOWPHGHXAQPA-IBGZPJMESA-N 449.552 2.190 30 10 IEEE C#CCCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507599229 MAEZGZSKPFQFDE-ZMPRRUGASA-N 430.553 2.164 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507629206 KSSICARUPYLLEK-APWZRJJASA-N 434.537 2.382 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1507771520 BBRFDDNEYGWRGD-IIBYNOLFSA-N 431.562 2.470 30 10 IEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1507845652 MQWOJFDYKLLCMQ-KRWDZBQOSA-N 437.541 2.016 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1507924961 WIBAMSGFHJOVPM-HKBOAZHASA-N 439.560 2.483 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1507953208 FBYKBQLGKHMWQK-LPHOPBHVSA-N 449.577 2.480 30 10 IEEE CC(C)NC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1509767792 TWSFJEJSODEPHH-UHFFFAOYSA-N 436.564 2.129 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3cnn(C(C)(C)C)c3Br)CC2)c1C#N 1523175367 LYEPQWIMODRTQR-UHFFFAOYSA-N 434.342 2.277 30 10 IEEE C=CCN(C(=O)[C@@H]1COCCN1CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525330748 KTCJSGSTSSXRHI-SFHVURJKSA-N 435.571 2.453 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3ccccc3Br)CC2=O)cn1 1529753273 JXCOCRZTSYZRHG-SUMWQHHRSA-N 446.305 2.026 30 10 IEEE C=CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1533315404 YFVOBTRCZWJVFL-HXUWFJFHSA-N 447.601 2.341 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(-n3ccnn3)ccc2F)cc1 1534146302 FVSBYBRAIPXMGN-LYBHJNIJSA-N 442.476 2.472 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(NC(=O)N(C)C)cc1 1539271434 AFBJKQQBFIOXRM-UHFFFAOYSA-N 427.512 2.479 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1539427952 KIMACEDJWVHECD-LJQANCHMSA-N 442.539 2.168 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)C1 1539499902 QXAFQIVVIGVDTH-INIZCTEOSA-N 433.603 2.408 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)CC1 1539643244 LPZODGBZSZXSCD-PGRDOPGGSA-N 425.533 2.473 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOC)C1 1540889185 GWYVSSNCJFBEEQ-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1540913923 XVSOMLSPEXQLNH-UHFFFAOYSA-N 428.566 2.216 30 10 IEEE C[C@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1541875889 HSOOMBDHTAPIER-GOSISDBHSA-N 442.589 2.174 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1542560580 ZHEIDNMUHKHACH-IBGZPJMESA-N 444.499 2.145 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545576595 ASJORPWFWVLLBI-WGPYCZSNSA-N 442.442 2.086 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1546229065 WPUUKOXQFAFLEA-QGZVFWFLSA-N 425.551 2.341 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1sc(C)nc1C 1548137671 JWSRDVBZTMCCSX-UHFFFAOYSA-N 425.518 2.471 30 10 IEEE C#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1556833143 REBVAVLIUJEWNT-CQSZACIVSA-N 437.861 2.163 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)cc1 1557607211 AFNSGZVQEXHXRK-NRFANRHFSA-N 442.537 2.224 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 1569674121 VFVYTNZFENXXCY-FZKQIMNGSA-N 446.326 2.478 30 10 IEEE COC(=O)CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1CCOCC1 1586955167 MXPCRKHDVZEHOA-WCCYLALTSA-N 449.548 2.344 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1587579923 LHHDGYFGLKSPAP-JKSUJKDBSA-N 447.486 2.499 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1587754406 DDXHKBLWUCVEMK-KRWDZBQOSA-N 447.543 2.087 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1587765556 HZGAJMOIPABKEM-FUHWJXTLSA-N 435.550 2.205 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587872454 JKHPYGHFRDBAJF-XUZZJYLKSA-N 448.615 2.466 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)C(C)C)CC1 1588763458 XYALPIZFOASUJX-HXUWFJFHSA-N 449.397 2.208 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589404484 JRNMDEYLXZFCIL-YOEHRIQHSA-N 445.383 2.096 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1594679996 MGKCGNZCLNLNNI-HOTGVXAUSA-N 435.550 2.131 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](F)COC 1595100813 UFCYUCJZGPMZPJ-OALUTQOASA-N 447.536 2.229 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)NC)CC1 1595595751 YWQZKVYXQADAJG-UHFFFAOYSA-N 442.589 2.143 30 10 IEEE C=CCC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1596593356 MNVJJKLFTYLIOD-GOSISDBHSA-N 426.604 2.325 30 10 IEEE CC(C)NC(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1609522110 AHKUPOYKZQRDKZ-QAPCUYQASA-N 430.484 2.201 30 10 IEEE Cc1cc(C)cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)c1 1614963312 XNDLTVPCAXEIAF-SRHPJPHMSA-N 425.554 2.423 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)s1 1616784881 BVPHDSWEMIBJEW-UHFFFAOYSA-N 449.554 2.294 30 10 IEEE Cc1cc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)co2)ccn1 1624062439 RCQSMFSFONUMDY-UHFFFAOYSA-N 437.481 2.063 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)C1 1624958120 BMYZQBQTPOJMEE-KRWDZBQOSA-N 443.276 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1628900684 JWXQDQNWXFTFAL-XXBNENTESA-N 446.523 2.297 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 1632787447 GPNBNZSUVWAWFW-KRWDZBQOSA-N 445.004 2.425 30 10 IEEE C#CCN(C(=O)NCCOc1ccc(I)cc1)C1CCN(C)CC1 1634640197 XYDYIUDTFIQYKG-UHFFFAOYSA-N 441.313 2.409 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)ccc1F 1637488015 IDXMUACGKIVHGX-HDJSIYSDSA-N 427.498 2.076 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1)c1cc[nH]n1 1642299946 PVQHRSUPZTZVDV-IEBWSBKVSA-N 436.896 2.221 30 10 IEEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)ccc1F 1645084780 FKGCHVXAOQDNGV-QGZVFWFLSA-N 445.520 2.496 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1 1652351269 FNUWLVSDKZMUOF-UHFFFAOYSA-N 440.477 2.414 30 10 IEEE C#CCOc1ccccc1CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1654180889 XJUIMRYXWIOVBH-UHFFFAOYSA-N 440.521 2.440 30 10 IEEE C#CCN1CCN(C(=O)CN2Cc3cc(Br)ccc3OC3(CCC3)C2)CC1 1654826869 UTCIVTPGSMQYHY-UHFFFAOYSA-N 432.362 2.344 30 10 IEEE CC1(c2ccc(CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2)OCCO1 1672353338 OXUVTCJJPJWJJE-NRFANRHFSA-N 434.496 2.378 30 10 IEEE C#C[C@H](NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)C1CCOCC1 1672932081 POULWLFYEASQBP-VGSWGCGISA-N 447.601 2.343 30 10 IEEE C=CCn1cc2ccc(NC(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)cc2n1 1675012969 MZKVWNLHGAWZHE-UHFFFAOYSA-N 447.561 2.317 30 10 IEEE C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1680730542 IFAPSDQEOVHKJC-ZUCKAHLUSA-N 444.326 2.099 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682021115 AFNOBSNZJDIYMW-FDDCHVKYSA-N 441.532 2.358 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)C1 1685050620 KPUSBWGYIXSQRC-MOPGFXCFSA-N 434.581 2.189 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)C1 1685152376 CLCISHILAJPVHL-OALUTQOASA-N 434.581 2.189 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1689888659 OOYDHSFFMRXVCL-SFHVURJKSA-N 427.578 2.120 30 10 IEEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)NC[C@H]2C1 1689904367 UGJZOEMCLWSJDU-SFHVURJKSA-N 438.532 2.273 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1689908173 YOHIRCHXGUHGIZ-BJLQDIEVSA-N 429.565 2.301 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCCCC2)nc1 1690100888 GOAKHWKFSQJDDK-UHFFFAOYSA-N 432.532 2.255 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nncn1CC 1690101233 SVNVZBAYHFOPQF-UHFFFAOYSA-N 432.488 2.346 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2cccc(OC)c2)CC1 1690120057 DVESXGOHWSGJJT-UHFFFAOYSA-N 431.544 2.477 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1690622103 HSPCDLNRGHOQPW-MRXNPFEDSA-N 426.521 2.364 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690667106 QIQXSVCSOUCKCW-GAJHUEQPSA-N 441.532 2.030 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1690993177 GPIBFTWHFVIVHJ-QWHCGFSZSA-N 426.493 2.005 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1692347148 ZAJAAWYUSQEMLM-MRXNPFEDSA-N 430.534 2.459 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cs1 1693352404 KZSBUPXHFQGNRG-RXVVDRJESA-N 447.584 2.433 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1694722481 CPAZMROOPUPZSN-LJQANCHMSA-N 442.589 2.396 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1698062713 GGSDMIXLGKUERH-NQIIRXRSSA-N 446.577 2.338 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCO1 1698153558 ODJNXLTYMKVXGQ-MAUKXSAKSA-N 442.520 2.106 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1698222812 XPWXFGCYKNUKGN-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1705570115 MVGVYULUGMCJBC-KRWDZBQOSA-N 433.603 2.451 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCC1 1705626859 LNFYNDVRMXFBDV-UHFFFAOYSA-N 435.532 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[C@H]2OC)CC1 1705647188 BXUYQPIISNFTEY-TZIWHRDSSA-N 436.560 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C)OC)CC1 1705648197 ROOGYNGXRRIXPC-SFHVURJKSA-N 447.543 2.132 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1705648779 YNRQGQJNYACRBT-QAPCUYQASA-N 442.589 2.316 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(CC)c1 1705695839 ZMIHVUJHENYGBE-OALUTQOASA-N 427.553 2.348 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1705878753 ZFTSYRONTKQMEX-FPOVZHCZSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1705909209 QDOKVLYGHNKUNF-GOSISDBHSA-N 436.560 2.142 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](COC)C2)cc1 1705911461 IRDDUNWGSMESDI-RBUKOAKNSA-N 446.573 2.266 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@H]1C 1712005630 GPGOVVVTIJHRPG-GOSISDBHSA-N 440.548 2.326 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722340553 BZAZWKPJKXXRQD-QHCPKHFHSA-N 442.564 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](COC)OC 1722375433 OOXSHSLFFSWGFD-MRXNPFEDSA-N 447.333 2.450 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(F)ccc2F)CC1 1722441196 NMCKLZBBFPOUOA-JXFKEZNVSA-N 431.487 2.084 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1722459765 QPQYBWBQNXPLDC-KRWDZBQOSA-N 434.562 2.248 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722461095 MBFPVJVKNDIQTB-OXJNMPFZSA-N 441.557 2.214 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCOCC1 1722630449 FTAMXOPOQFSHGT-QGZVFWFLSA-N 430.578 2.271 30 10 IEEE C=CCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@]1(OCC)CCOC1 1722689427 QVNSLQHYPPFXHU-AOMKIAJQSA-N 430.505 2.187 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1722852180 ZVBWBUKRUKYYFB-GOSISDBHSA-N 437.529 2.377 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)C1 1724021144 UZPCFMGSSTWPAG-CVDCTZTESA-N 438.532 2.104 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC(C)(C)O1 1726722334 HFNSXIGAUUCGEN-CQSZACIVSA-N 448.474 2.114 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cccc(F)c2)CCOC1 1728814904 BAEJDNCZXGJXSL-DENIHFKCSA-N 429.496 2.431 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCO2)cc1OC 1728859944 WMJPFWIRHQIDSO-QZTJIDSGSA-N 425.489 2.426 30 10 IEEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1729240342 XAYRFVSVPMKZLF-WJOKGBTCSA-N 440.529 2.282 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1729316786 AYORLVZMVQDQLD-LPHOPBHVSA-N 440.939 2.364 30 10 IEEE CSCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cc1 1731085255 CCQIYHYFOFEAEU-LSDHHAIUSA-N 436.607 2.395 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740574749 MXZJUSCGIGYABJ-KRWDZBQOSA-N 425.493 2.215 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624868 KZEAJAVDUKBJTM-HRCADAONSA-N 434.512 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccccc1N1CCOCC1 1740642775 VFKPKVZNLLLXQV-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740647468 UPWXJDQGSWXJOP-JVODISISSA-N 426.561 2.334 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1CCOCC1 1740666631 XZJYONDZYQSRSP-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740751999 RBNNKSSEEQTJFN-ZACQAIPSSA-N 430.553 2.293 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740868164 FTPFXTMFAZZHCN-UONOGXRCSA-N 439.504 2.402 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)cc1 1740966004 ODOTTYLBQNQGBQ-HNNXBMFYSA-N 437.591 2.055 30 10 IEEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1741256664 OBMHDLARTUBSCG-UHFFFAOYSA-N 428.500 2.181 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741397753 PFKKYZWSRNREHQ-KHOFPDMRSA-N 435.532 2.273 30 10 IEEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)CC1 1745686599 IXMYZSSJERKTSH-LJQANCHMSA-N 448.637 2.432 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747534490 CTPKJKCLVGWSID-UHFFFAOYSA-N 430.516 2.017 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1748811131 CDNAZPHTRQUCLT-IBGZPJMESA-N 439.516 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@H](C)CC 1748841040 QPXOSYIDOYVCIG-GOSISDBHSA-N 441.605 2.041 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1748925763 NCJDQAWUCIQEGB-QGZVFWFLSA-N 425.514 2.343 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)c1ccccc1 1749650063 IGUIANYSTKVXSF-QGZVFWFLSA-N 433.516 2.468 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](CC)C1 1749652698 RDUWDPOTSONXMH-INIZCTEOSA-N 445.593 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749703627 LYBNOTUTPQXURE-MOPGFXCFSA-N 445.589 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCC2)CC1 1749724816 NMSANHGAHIIIFZ-UHFFFAOYSA-N 445.589 2.229 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1750061117 LVKQOSQSPGODIW-LZWOXQAQSA-N 443.483 2.141 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1750080805 BCPDDHGDTZIRJC-CTNGQTDRSA-N 441.532 2.112 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccccc3F)n2CCOCCS(C)(=O)=O)CC1 1751279570 GAHLDOYATQEBPP-UHFFFAOYSA-N 435.525 2.275 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)N(C)C 1760104346 XAMBPYDBHWVTSI-LSDHHAIUSA-N 435.619 2.481 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(S(C)(=O)=O)CC1 1760168358 YTUBGDQDQWRKMT-UHFFFAOYSA-N 441.326 2.493 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccnc1OCCOC 1760177810 ZARHAIQIRCRHDZ-UHFFFAOYSA-N 431.500 2.055 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760186993 BTINBJYIUMMIOL-ZHRRBRCNSA-N 441.557 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1760201644 XSNPYYKRRZJXCC-UHFFFAOYSA-N 439.567 2.231 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760224874 BNMQMVVZGZPYKY-AVRDEDQJSA-N 446.573 2.044 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCCN1CCOCC1 1760246178 SMVJHDUVAZBYFV-UHFFFAOYSA-N 434.544 2.302 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(OC)CCC2)CC1 1760256929 MAAYEUKFFYSSBU-QHCPKHFHSA-N 431.581 2.033 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(OCC)CCCC2)CC1 1760257006 MVIUWGREQWNOCH-DEOSSOPVSA-N 445.608 2.423 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](C)N(C)C)CC1 1760268129 CVOBAKQATCXCLB-KRWDZBQOSA-N 433.560 2.342 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)CCOC 1760294504 YYQACRFCOCSOLE-PKTZIBPZSA-N 436.516 2.374 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760314542 WYNXRAMUQGXPTA-CUDHKJQZSA-N 449.596 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(CC)c1 1760325582 RMDYBPVXNXMGQX-NQIIRXRSSA-N 427.553 2.235 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1760337820 WKKDQSQAWMUSDZ-LJQANCHMSA-N 437.504 2.346 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1760523999 MQZOZKGGHRECIS-VQTJNVASSA-N 425.533 2.442 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760538444 DSGDLZJKZLSKDZ-SJORKVTESA-N 444.923 2.368 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C 1760557240 FKAWWWQAIKPAHK-INIZCTEOSA-N 447.586 2.271 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1760698015 AVMCYHYWDUPLQM-OAGGEKHMSA-N 431.541 2.225 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1765009310 ICIZWSRQFUDVTJ-GOSISDBHSA-N 426.427 2.375 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)C1 1766164769 BHVFNYFRCKLKKH-IBGZPJMESA-N 446.577 2.151 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1767571385 HFNQQBJSAMCWBU-QGZVFWFLSA-N 437.548 2.038 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1(C)C 1770630861 FUVPNKIAMUUYAQ-SFHVURJKSA-N 446.577 2.006 30 10 IEEE COC[C@@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1770786759 PKDAVSCJNVMTFM-VBKZILBWSA-N 437.447 2.397 30 10 IEEE COCCN(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1771078010 GNVVFGBWVXBSJD-UHFFFAOYSA-N 436.564 2.225 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 1852451426 DRUYFGFGIMJQDM-NHCUHLMSSA-N 438.528 2.012 30 10 IEEE N#CCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1853335196 RETOXVSVCLWJPQ-UHFFFAOYSA-N 432.468 2.038 30 10 IEEE Cc1cc(CN2CCN(C(=O)CCON=C(N)c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1853550958 QSXGKFLRTRGKGN-UHFFFAOYSA-N 438.454 2.108 30 10 IEEE NC(=NOCCC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 1853574866 SOWFBIYOJTWXKN-UHFFFAOYSA-N 428.455 2.056 30 10 IEEE C[C@H]1CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCS1(=O)=O 1855852563 GUVRYJFDGFATTO-KSSFIOAISA-N 437.949 2.046 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1)c1cccc(O)c1 1862590799 QDKSARUZZKDBHS-HXUWFJFHSA-N 426.444 2.442 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(NC[C@H](C)O)ncnc21 1873627198 DMLKITHLSXQRJJ-KRWDZBQOSA-N 449.559 2.414 30 10 IEEE COc1cccc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 1874280437 SDLULHJBWRLIOT-OOXYOOLHSA-N 447.561 2.463 30 10 IEEE Cc1c(Br)cc(C(=O)NCC#CCN2CCc3ccccc3C2)c(=O)n1C 1889351184 SSRFMOWKLRHBKC-UHFFFAOYSA-N 428.330 2.248 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2csc3ncnn23)[C@@H]1c1ccc(C#N)cc1 1892145560 ZLTUZMFHMLUOCM-ZWKOTPCHSA-N 440.554 2.372 30 10 IEEE CCCN[C@@H](C#N)Cn1c(C)nc(I)c1I 1936400388 VTESFHOCZVIZLT-QMMMGPOBSA-N 444.058 2.293 30 10 IEEE C#CC[C@H]1COCCN1C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009819402 KRRTWWGABHVXLL-RDPSFJRHSA-N 427.545 2.407 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)C1 2020898978 CHIRRJAAVGDFIM-HXUWFJFHSA-N 439.509 2.180 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060622451 ZZUBRJRYADIQIS-RHSMWYFYSA-N 434.342 2.223 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)[C@H]1CCOC1 2060642576 YZNAAOULCHVBJP-SIRPWMCASA-N 436.358 2.467 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2063134653 YKGNYYOHAHVMFA-NSHDSACASA-N 434.312 2.114 30 10 IEEE C[C@@H](O)CN(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247838049 BVBRFAGDIVJZQC-CQSZACIVSA-N 433.745 2.396 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638299 MXFCHAUGDOJYJG-PWSUYJOCSA-N 447.288 2.114 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267089418 DIBDEKVGZVQMRR-CABCVRRESA-N 448.373 2.474 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267189269 YHEFAUFPLHRFMG-CABCVRRESA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2267267243 VNENOVVONZUZRR-HOTGVXAUSA-N 443.353 2.320 30 10 IEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268632287 IOWVMPORSMDNFK-GOSISDBHSA-N 447.385 2.057 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2303309638 WICIPAVHIPGNLJ-LEAZDLGRSA-N 428.533 2.294 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2COC[C@@H]21 2312844203 XELBFURNLSHBOJ-OWCLPIDISA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)NCCCN(CCO)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322295258 AGEDWCJDQRDFAP-UHFFFAOYSA-N 439.337 2.233 30 10 IEEE Cc1ccccc1C=NNc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659617 BXJBZKUTJVNGQQ-CYBMUJFWSA-N 425.308 2.120 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)cc1 2329260337 FRZWYZRRZXCBQD-UHFFFAOYSA-N 425.470 2.035 30 10 IEEE COc1[nH]c(=NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2339787654 DARNWBFBVKWNRS-HZPDHXFCSA-N 445.369 2.336 30 10 IEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@@H](CCO)COCc3ccccc3)c2)OC1(C)C 2343488766 LBBYWVQUBFGWEX-IBGZPJMESA-N 441.333 2.389 30 10 IEEE CCOc1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)ccc1O 20836274 AAJBSQHXMBTDHP-REZTVBANSA-N 434.507 2.246 30 10 IEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 96504565 GVPPSGFKMSDGFT-UHFFFAOYSA-N 429.454 2.367 30 10 IEEE N#CCC(=O)NCc1cccc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 219741571 SKILZXCIRDFUFL-UHFFFAOYSA-N 449.423 2.140 30 10 IEEE CCN(CC)c1ccc(N2C(=NC(=O)COC)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 254572426 FJYIXYFSMHGQTP-SJORKVTESA-N 425.576 2.089 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(COc2ccccc2C#N)o1 439895574 AVQMMLTWQHGWLL-XNFNUYLZSA-N 438.436 2.295 30 10 IEEE N#Cc1ccc(CS(=O)(=O)c2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)cc1F 447490570 PWUPFDHIOVFFSX-KRWDZBQOSA-N 433.509 2.432 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 476571999 UPAMTEJKZDKFKH-UHFFFAOYSA-N 440.569 2.154 30 10 IEEE COc1ccccc1CC(=O)N1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481028255 WXGCDHZHMVOAHD-UHFFFAOYSA-N 445.516 2.359 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cn1 486542249 SITVJBUYHVXIBX-UHFFFAOYSA-N 449.422 2.363 30 10 IEEE Cc1ncc(S(=O)(=O)NCCOc2ccc(I)cc2)cc1C#N 489879921 DTNYLOKFBPYRDX-UHFFFAOYSA-N 443.266 2.224 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CCCC 491613734 USORWOFIXPFRFS-UHFFFAOYSA-N 438.578 2.433 30 10 IEEE COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 502494915 BSTKTEVTDKEDFM-VLIAUNLRSA-N 439.534 2.200 30 10 IEEE COc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c(OC)c1 504949052 MHTFOZQRLSWUEW-UHFFFAOYSA-N 444.513 2.422 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)CC2)n1 508788057 BBDCWRVACQIBGV-OAQYLSRUSA-N 428.496 2.388 30 10 IEEE CCc1c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cnc2c1c(=O)n(C)c(=O)n2C 513774496 ZVFOHBKMRAKIAZ-CQSZACIVSA-N 446.294 2.496 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1Cc1ccccc1 530315726 VQFIWHTYVKCBHT-UHFFFAOYSA-N 425.460 2.145 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 555269660 ZNPYZBLEHFLCHZ-UKRRQHHQSA-N 435.554 2.109 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(CC(F)F)CC1 555272376 MJZGGDPODBPYFH-UHFFFAOYSA-N 425.505 2.312 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3Cc3ccccc3)CC2)nc1 558915641 XNTDTOXVWXKPDY-FQEVSTJZSA-N 431.500 2.008 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=C)C)CC1 558997652 RAESDEFSAOQQRC-UHFFFAOYSA-N 438.576 2.474 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 568449409 DEUHQMJNHPFKQX-MAUKXSAKSA-N 435.550 2.003 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C(=O)OC)C(C)(C)C)nnc12 609877134 GEEPOBBERMHBTR-INIZCTEOSA-N 443.529 2.026 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 730311363 PBGKWOLMLONJQL-SFHVURJKSA-N 426.498 2.369 30 10 IEEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730712871 JGEUSWSWZXSZAO-GOSISDBHSA-N 429.546 2.491 30 10 IEEE Cc1ccc2nc(COc3ccccc3C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2c1 732152866 CFAVVICFOIZLKG-ZNTNEXAZSA-N 445.479 2.478 30 10 IEEE CCc1nc(COc2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2)no1 734703878 GFZKZUKZPVHMMW-UHFFFAOYSA-N 426.454 2.342 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1ccon1 747448085 IRKMCEWZHVPRFU-MRXNPFEDSA-N 433.453 2.497 30 10 IEEE Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2nccn12 780314302 XMIUAEBSOGLVGC-MRXNPFEDSA-N 438.469 2.284 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2c(cc1Br)NC(=O)CO2 782403005 TXXYHXAYANVWLO-MLCYQJTMSA-N 438.278 2.380 30 10 IEEE C=CC[C@@]1(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CCCN1C(=O)OC(C)(C)C 790680534 BYTKMHZCEDPHQL-AOMKIAJQSA-N 431.537 2.296 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cccnc3C#N)CC2)cc1 813160373 LIWBWVCYECAFMU-UHFFFAOYSA-N 427.482 2.300 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)cc2C1=O 915107035 JCPLQUZWYFOLGQ-UHFFFAOYSA-N 438.871 2.311 30 10 IEEE Cc1cc(C)c(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)c(C)c1 916776028 OLOVZDPGVNWSIK-LJQANCHMSA-N 425.510 2.483 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(F)cc3C)n[nH]2)cn1 1084138998 ZYCDAOPNINOPMO-UHFFFAOYSA-N 432.485 2.272 30 10 IEEE CCOC(=O)NC(=O)C(=NNc1cc(C(F)(F)F)ccc1F)C(=O)NC(=O)OCC 1088701576 ZGBASMRRSFPPNA-UHFFFAOYSA-N 436.318 2.158 30 10 IEEE CC(C)(CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1COCC12OCCO2 1129751396 CSGSWHPPBJHWNE-HXUWFJFHSA-N 431.508 2.446 30 10 IEEE C#CCN(C(=O)c1ccc(S(C)(=O)=O)cc1N)C1CCN(C(=O)OC(C)(C)C)CC1 1155367805 YKIFMHCQGATWMA-UHFFFAOYSA-N 435.546 2.147 30 10 IEEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1157886087 YTJLYMJVVSHYFX-KPZWWZAWSA-N 425.532 2.130 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)C3CCN(C)CC3)nnc12 1161338164 IXFISZGNZVENST-UHFFFAOYSA-N 440.573 2.265 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)cc1 1181755032 BZEFHJMTXBRLCG-SJORKVTESA-N 441.525 2.228 30 10 IEEE COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1210925487 ACADZTPYCYAAJV-CYBMUJFWSA-N 437.287 2.047 30 10 IEEE N#CC1(CNS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CCOCC1 1214019043 CYWFPYOYHKLAMM-MOPGFXCFSA-N 435.546 2.321 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 1230728301 JUAFZPNJSRZHKI-UHFFFAOYSA-N 434.968 2.449 30 10 IEEE C#CCN(C(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C)CC1 1248506991 IQNJOBMOOYFGHF-UHFFFAOYSA-N 449.640 2.448 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1ccc(Br)cc1 1252458797 MMFAHEVXXCOBSB-KRWDZBQOSA-N 442.317 2.149 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286348317 VZSVDIZTTLTKTN-IBGZPJMESA-N 438.507 2.134 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1286478772 CGEUBMNRRINFNT-IBGZPJMESA-N 437.592 2.258 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1286758286 JAKCPUSRRYXWTP-HXUWFJFHSA-N 445.589 2.341 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@H]1CC 1286781420 YQSIMWXUPBWGHJ-ZWKOTPCHSA-N 440.548 2.052 30 10 IEEE Cc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)sc1C 1289147522 COJYTYMYFFDGIR-UHFFFAOYSA-N 430.559 2.419 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2[N+](=O)[O-])C1 1289437850 SZDOCQBURLTSRO-ODEMNLNRSA-N 446.529 2.087 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296129595 AUVWHXNOZZZZBB-PGRDOPGGSA-N 426.544 2.117 30 10 IEEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)CC#N)CC1 1296211740 OVAIROSKJMGWPF-QGZVFWFLSA-N 430.626 2.400 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCOC1 1298189622 XQAMPRZKXNWLEH-LJQANCHMSA-N 440.548 2.065 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1300340171 VTIYUIPUMJGIIS-UHFFFAOYSA-N 433.520 2.237 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300413338 UDRNDECURAKVTN-IBGZPJMESA-N 432.532 2.123 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1300485800 YSWNCOHNGXJDCZ-OXFYSEKESA-N 436.603 2.388 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1300502764 WXNWSSJEPIQZCH-GOSISDBHSA-N 436.603 2.372 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(COC)CCOCC2)CC1 1300701378 QMNQUUBZZFTQCA-UHFFFAOYSA-N 441.551 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCSC2)CC1 1300729170 OXQSHZWYYUXHTH-MRXNPFEDSA-N 444.630 2.353 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cc(C)on2)CC1 1300730975 IWPUZKKSGVJQMD-UHFFFAOYSA-N 448.527 2.476 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1300991104 PKUDGYILDFPMLL-MOPGFXCFSA-N 438.594 2.026 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300993742 FWOBHOKWMOWVBY-NRFANRHFSA-N 426.565 2.015 30 10 IEEE C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1303805250 YKKPJKSVHHRYBM-KGLIPLIRSA-N 444.517 2.304 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCc3c2ccc(=O)n3C)cc1 1310131903 UVPRAYHMQAGGRT-SFHVURJKSA-N 430.530 2.391 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315823644 GSZQZRUYSULPSW-IEBWSBKVSA-N 428.512 2.327 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1315827343 WYEKWAIDFXZARR-GOSISDBHSA-N 444.511 2.018 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1316269160 ZISHJTRMZWOIFD-TZIWHRDSSA-N 441.532 2.397 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(Cl)cn1 1316536211 DTEDYEBLISEUOM-INIZCTEOSA-N 429.912 2.487 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1358963127 CEXVILUSNHHEJJ-LJQANCHMSA-N 430.574 2.469 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)cc(C)c1 1358984550 ALEFKMFOEZVMIS-IBGZPJMESA-N 427.574 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCn2nc(C)cc2C)CC1 1359045242 AGGMIXHUCYNEGV-UHFFFAOYSA-N 425.581 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 1359045767 SPYCQMNUIZDMFE-UHFFFAOYSA-N 430.597 2.137 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359188178 IBNWCXIRHIZUEZ-QGZVFWFLSA-N 425.599 2.150 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)CC1 1359222202 BHQNOXAEZJCNKX-UHFFFAOYSA-N 428.356 2.197 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1359267631 MTKMNPXNYBETPX-GOSISDBHSA-N 443.573 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1359295381 ZNZVBWGIOAIHQP-OAHLLOKOSA-N 444.605 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359330369 PJORCSYZUUHOCG-QGZVFWFLSA-N 443.533 2.016 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1452947779 NNHLZVFKXAOECK-FQEVSTJZSA-N 445.541 2.403 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NOc3cccc(C#N)c3)CC2)cc1 1454682751 HKUMNYMTQDWIFG-UHFFFAOYSA-N 427.482 2.272 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1463866538 SNJKEJHCJCAPHD-AOMKIAJQSA-N 443.525 2.216 30 10 IEEE Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)nc1 1464299075 NXQZOHJJIHFUBF-HNNXBMFYSA-N 444.488 2.317 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CSc4ccccc43)CC2)cc1 1470280893 AZVJXMDLHXQQRN-QGZVFWFLSA-N 442.566 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCN(CCC#N)CC1)c1cccc([N+](=O)[O-])c1 1471237347 QFTCVSCCERJXFX-OAQYLSRUSA-N 431.493 2.393 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)N(CCO)C[C@H]2C)n(-c2cccc(F)c2)c1C 1473564724 OIJYETATGSZXCY-JKSUJKDBSA-N 427.524 2.430 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1492492654 FRXLICPAHIPYPU-PBHICJAKSA-N 434.566 2.180 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1503731561 DJINTPVLTMBJFU-AUSIDOKSSA-N 436.516 2.384 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1503888483 BWZGNSLNHZQBHZ-UHFFFAOYSA-N 436.476 2.029 30 10 IEEE COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)N(C)C)c1 1504323976 GANUPBZQTBSKIB-FQEVSTJZSA-N 439.564 2.468 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1ccc(F)cc1 1505003141 YFNWOBIKSOVJCB-FCEWJHQRSA-N 433.484 2.337 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507560212 FJETWSMLXBODDO-KRWDZBQOSA-N 441.536 2.269 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1507681172 TZVFIUVKHLQHDI-VQIMIIECSA-N 431.562 2.080 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1507756059 FSPWFYOMIFOSER-INIZCTEOSA-N 431.537 2.325 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1507781538 BLCWKJLUGVVPBI-KBPBESRZSA-N 434.342 2.255 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1507811753 UNKNPIIRNAQQSV-VGSWGCGISA-N 441.532 2.125 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1507896144 HNFRPMYJYWLVPC-IEBWSBKVSA-N 438.642 2.411 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CC1 1508039434 ODOSXCAXTSLBMH-PBYQXAPXSA-N 432.546 2.341 30 10 IEEE CC(=O)N1CCC(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1508207100 MACVGPYCMCGEJV-FCHUYYIVSA-N 448.543 2.019 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1515055258 CDMDXZXEAWGYMW-UHFFFAOYSA-N 444.561 2.005 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1536942203 DKWVUUDEAMPWNG-UHFFFAOYSA-N 428.533 2.058 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1539225323 MVZJACSPDPPXCU-LJQANCHMSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(=C)C 1539268407 PEGORUYBRDDIND-IBGZPJMESA-N 443.548 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(F)c(F)c2)CC1 1539481297 KRPMVQKZDWHCEF-KRWDZBQOSA-N 429.471 2.074 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539717652 OSQVKPURLRBKND-FQEVSTJZSA-N 442.539 2.315 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1540004578 BEQVAWKVQDAZKC-MSOLQXFVSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1540005731 OCSIFZXDUPVUOK-CABCVRRESA-N 433.525 2.059 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540036556 ORQDTFZBYBYDMB-UXHICEINSA-N 430.553 2.093 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1540863674 AYYOLVKGJSRPHG-CJNGLKHVSA-N 449.353 2.343 30 10 IEEE CC(=O)N1CCN(CCn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1541006779 DKMAZKLJXXZDLB-QHCPKHFHSA-N 427.597 2.305 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1541111659 OXEPTVJSVHSZOS-HZPDHXFCSA-N 429.550 2.179 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)C1 1541990953 QSSFOYRGQDDXJB-NRFANRHFSA-N 428.562 2.309 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 1542531561 BFHYMHYSRQRKBA-IRFCIJBXSA-N 440.544 2.372 30 10 IEEE CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCN(c2ccccc2)C1=O 1543083062 ZTNAQRSURPQSOS-IBGZPJMESA-N 429.473 2.391 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1546800831 WHPWFUSIQGUJRB-ZMBJWTFHSA-N 444.561 2.213 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1565312267 NPVZZCYHKYNVFU-OAQYLSRUSA-N 449.577 2.477 30 10 IEEE CN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 1566318227 WEZMXNHZKDPACC-VQIMIIECSA-N 436.434 2.199 30 10 IEEE C=C(C)CONC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1583439170 NAHGJYMMOFTDIU-UHFFFAOYSA-N 430.299 2.373 30 10 IEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1587755315 YLGFAQCTXFQFFU-UHFFFAOYSA-N 447.543 2.318 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(=O)(=O)CC 1587939663 CVYYAWOOUTVXMF-UHFFFAOYSA-N 425.942 2.006 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2cccs2)N2CCCC2)CC1 1588892011 VNXFZPISGYHMAU-LJQANCHMSA-N 426.590 2.451 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1589530802 YBTXUNSWDPXDFG-BJLQDIEVSA-N 439.564 2.457 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1593878309 HDOOENQRMMEQCW-ZWKOTPCHSA-N 436.988 2.405 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1594498867 YHGFDYXEHWMWOC-IRXDYDNUSA-N 442.568 2.306 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1594803105 NKRMKRCWTLDUNN-KRWDZBQOSA-N 426.525 2.422 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1594803606 ZEZRYZKOGRRTDU-TZIWHRDSSA-N 426.565 2.480 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1594962592 MIQYYTXUCYDXLK-IBGZPJMESA-N 431.562 2.119 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1595234215 LIVDDKLGUBCPRN-IYBDPMFKSA-N 428.541 2.404 30 10 IEEE C=CC[C@H](CO)CNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1598058721 YIOGXNRDWOMTLF-BQFCYCMXSA-N 444.391 2.343 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(Br)cn4ncnc34)C2=O)cc1 1611527314 GBDYJVAERDXPAH-MRXNPFEDSA-N 439.273 2.289 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1620054209 FYLBADIMXAFLGO-ROUUACIJSA-N 433.459 2.483 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)c(I)c1 1626255038 WRQOJDBJWCTLIG-RKDXNWHRSA-N 437.159 2.416 30 10 IEEE C#CCC(C)(C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1626480947 VYVBSPPMSKZUSX-MSOLQXFVSA-N 432.565 2.430 30 10 IEEE Cn1cc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C2(CO)CCC2)cn1 1628292412 KZQCLOOSADCUKI-QRWLVFNGSA-N 441.919 2.318 30 10 IEEE C[C@H](CC(=O)NC[C@H]1CCN1C1CCCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1632339641 DVFACZPERDQPPC-SJLPKXTDSA-N 432.590 2.417 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOCCNC(=O)OC(C)(C)C 1642423157 YSGMGSOBTHMQDE-MRXNPFEDSA-N 427.542 2.293 30 10 IEEE CNS(=O)(=O)C[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1644036618 WDTATAHVPFHMDX-CABCVRRESA-N 438.619 2.477 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc(NCCN2CCOCC2)c(F)c1)C(=O)OCC 1648780370 YBIOOYBBXXXTLN-SFHVURJKSA-N 427.904 2.374 30 10 IEEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)CCCS(=O)(=O)C(F)(F)F 1661741845 BTGXSFFLHWQANQ-UHFFFAOYSA-N 430.422 2.270 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C#N)s1)CCO2 1666493127 FONGPZRLPRINQE-UHFFFAOYSA-N 427.548 2.410 30 10 IEEE C#C[C@@H](NC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)c1ccc(Br)cc1 1682357442 ZLWRKCOVXMROOL-BEFAXECRSA-N 433.306 2.143 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 1685196789 BOQUGQCPENGPSC-INIZCTEOSA-N 442.507 2.050 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1689907497 AHCABKFZHZDJHB-UHFFFAOYSA-N 442.539 2.300 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689923163 MXRWZWJVGSITJI-UHFFFAOYSA-N 426.496 2.072 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)CC=C 1689952333 BHEQKQNCRUIZHD-UHFFFAOYSA-N 429.365 2.439 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(O)c1 1690025095 DSICOSZYSUQRAF-UHFFFAOYSA-N 435.509 2.105 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCC1 1690056489 UZXVMBJXQNDECG-HDICACEKSA-N 427.549 2.427 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F 1690228671 CLAUFQMLAHCQHW-SNVBAGLBSA-N 431.278 2.477 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690449869 SWCTYBGKSNKSGP-UHFFFAOYSA-N 434.548 2.464 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1 1690611452 MHROPIFYMLXZLU-HNNXBMFYSA-N 440.342 2.100 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1690671170 QFIJPPBTOZBONV-GOSISDBHSA-N 444.967 2.060 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1691003490 HTUQZXXIWJDMIL-YLJYHZDGSA-N 440.548 2.497 30 10 IEEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNC(=O)c1cc[nH]n1 1691116805 YJXSAPCNQONYCB-MSOLQXFVSA-N 432.532 2.472 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1693976825 WPAHKCYPNNMXAG-AUUYWEPGSA-N 436.520 2.275 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1696655181 IZFDTDJLDYJZNF-UHFFFAOYSA-N 437.548 2.226 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C)ccc1OC(C)C 1697255571 CVAKRVQRUWETRO-FUHWJXTLSA-N 428.537 2.420 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1697606209 JFSIABFPWPNSMD-QMHKHESXSA-N 438.532 2.472 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1705478233 YHIZGXRDKXILEJ-NXHRZFHOSA-N 438.532 2.481 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1705495582 RRIKJJNBRAUXRV-QFBILLFUSA-N 428.558 2.475 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705538116 YZQCXGCVJCNOPA-SFHVURJKSA-N 438.532 2.319 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOc1ncccc1F 1705549825 JNYIYINQFKMTFJ-UHFFFAOYSA-N 447.474 2.357 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1N1CCOCC1 1705580929 UEFHBWMPKHGAJY-UHFFFAOYSA-N 427.512 2.001 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCN1CCN(C)C(C)(C)C1 1705585491 FOGHNKQGCPHGAS-UHFFFAOYSA-N 434.588 2.264 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1705599540 OWVYGAZMIVQLLR-UHFFFAOYSA-N 435.919 2.138 30 10 IEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705754778 FXDQMPGUYWTHAZ-CZUORRHYSA-N 426.926 2.412 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705860024 MMKZMNSGJZZSDZ-JOCHJYFZSA-N 441.557 2.159 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](OCC=C)C1 1705900824 QXCHBTSYNKFLLM-FQEVSTJZSA-N 433.516 2.214 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1712090356 AWTXOWMYPYLSSL-WRWLIDTKSA-N 430.440 2.347 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccccc1 1722397174 OHWRJHCJPMLAKC-VQTJNVASSA-N 426.542 2.031 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1722403495 SZYZOLDXDYCQAU-KDURUIRLSA-N 442.564 2.038 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1722534713 PQTKGKJEDWFBRM-UHFFFAOYSA-N 438.532 2.493 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722537305 MRLJSAWYSZKFGV-GOSISDBHSA-N 432.569 2.101 30 10 IEEE C=CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722611210 UEWIVGYOESIKNC-FXAWDEMLSA-N 426.583 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722697639 NKXBXRHOXOQBMU-DEOSSOPVSA-N 432.528 2.357 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC(C)(C)C2)C1 1722720083 GLAJZXCKBLTHPX-FQEVSTJZSA-N 443.596 2.032 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)OC(C)(C)C 1723599865 BVYNUBIPUSERRI-OAQYLSRUSA-N 433.557 2.461 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)C1 1724001792 BNFHNVOXJRKIFU-QRWLVFNGSA-N 429.912 2.487 30 10 IEEE CCN(CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1728418105 DHROZROYUJYTGL-FQEVSTJZSA-N 444.605 2.420 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCC2)c2ccccc2c1=O 1728639889 HIUPCRLKIQFALT-QGZVFWFLSA-N 434.548 2.367 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCOCC2)c1 1730994207 HWMISCQDFXWSPZ-HXUWFJFHSA-N 433.509 2.217 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCOC2CCOCC2)cc1 1731185163 SNBFTIRIJKAHCK-UHFFFAOYSA-N 427.505 2.151 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1740534136 XFAONAUZBOSBAR-STQMWFEESA-N 429.468 2.413 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1740571912 WCKPYINWSNILLJ-INIZCTEOSA-N 433.516 2.489 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1740600849 SIDDVEYIJMRDHD-IBGZPJMESA-N 439.438 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCOc1cccc(OC)c1 1740644916 YNZNZYLFAZRIQB-UHFFFAOYSA-N 435.528 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(F)cc1 1740656486 KGBQLKBJPODZAT-QUCCMNQESA-N 444.532 2.170 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1740792870 MLHSISDMUGKWKQ-IXDOHACOSA-N 448.568 2.171 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740847426 ILYCPZMQSDRNHV-RTBURBONSA-N 429.613 2.048 30 10 IEEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740889360 MSABBLLGKCIRBL-ZWKOTPCHSA-N 425.599 2.389 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1740923033 BSGFMSFPWRTTIB-INIZCTEOSA-N 446.602 2.411 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1741004388 ZMFCSSSEOHVNOL-QGZVFWFLSA-N 439.589 2.493 30 10 IEEE Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1742284568 XVXSAZULIJUTGT-IBGZPJMESA-N 426.521 2.313 30 10 IEEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1745228955 FWSGTYWCLDLWSB-MRXNPFEDSA-N 431.562 2.381 30 10 IEEE CCN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)C1CCC1 1745977135 ZTUGEIIWXPNEMN-YSRXLGAZSA-N 428.537 2.323 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCOCC1 1748780253 PNMWODODYJHRDL-UHFFFAOYSA-N 432.322 2.026 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(I)cc1 1748783024 DSGITGSKPCXOJF-UHFFFAOYSA-N 432.269 2.401 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C1CC1 1748789866 PANHSZTWMKYAAM-SFHVURJKSA-N 432.569 2.140 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1748950125 FDZDZEABZNTVNP-REWPJTCUSA-N 426.517 2.378 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1749154357 QDOBMVOLQGFKCU-MWTRTKDXSA-N 438.532 2.134 30 10 IEEE C=CCN(c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1)C1CC1 1749527890 VQISVXORIRDLPO-UHFFFAOYSA-N 429.496 2.400 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749656012 XHFANVJIDOLPMU-KRWDZBQOSA-N 428.924 2.102 30 10 IEEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1750041008 ZHCWCAIBPZJFJN-WZONZLPQSA-N 438.532 2.433 30 10 IEEE CSCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1750315525 RMNNFDBEVFMSCA-CQSZACIVSA-N 425.518 2.466 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1751095156 UWZWSCPPEISKPS-IXDOHACOSA-N 445.568 2.410 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1751095703 ZFGSEJLMQLNODM-BZUAXINKSA-N 430.475 2.174 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)c(F)c2)n1 1751853196 BKKCNAGCTLTREB-GOSISDBHSA-N 438.511 2.122 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760097752 JNHVNFKMMCIZEE-GVDBMIGSSA-N 449.552 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOC2=O)cc1 1760097766 JTLKYIKZKAOHFB-SJORKVTESA-N 427.505 2.465 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760142559 GLYXSWZIZMEEDC-KRWDZBQOSA-N 425.489 2.310 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760156318 CEECWYVIXMOENN-LJQANCHMSA-N 426.590 2.087 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760162360 RIGIFNMMYWPCFC-HJNYFJLDSA-N 442.608 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)Nc1ccccc1 1760211458 HXNBIBFZLYQYLL-XMMPIXPASA-N 435.528 2.422 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cnn(-c3ccccc3)c2)n1 1760252861 SHDOFYBIBUDLBK-UHFFFAOYSA-N 430.516 2.303 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1760258687 BDAJCSGQMIYLSC-VGOFRKELSA-N 429.952 2.098 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1760259876 QXMYTLFHHBNHFS-PZJWPPBQSA-N 427.524 2.454 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N(C)CC(=O)NC(C)(C)C 1760299860 KHQACIAHRHQSKL-UHFFFAOYSA-N 443.390 2.456 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1760352421 QUQUPYWEAPKQNC-MRXNPFEDSA-N 449.577 2.052 30 10 IEEE C=CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1760444525 JYIWOMKXVCQRMG-WMZHIEFXSA-N 446.596 2.479 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760506204 SKXWSCLHUGQXOY-NRFANRHFSA-N 429.546 2.348 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nccs2)C1 1760520571 SDKXWJXEPKMBFG-KRWDZBQOSA-N 440.529 2.290 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760528221 WCVQUSDQFQFDLS-ZWKOTPCHSA-N 445.589 2.421 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760569017 AFVAUKFHRZLFPI-GOSISDBHSA-N 429.594 2.260 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1760695204 CPUSCAIKSMJHFX-IKGGRYGDSA-N 429.546 2.342 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1765858785 SMSPSSRZXFXEBI-UHFFFAOYSA-N 436.520 2.324 30 10 IEEE CCOCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1766549874 RYAZOWVTWVNKSJ-UHFFFAOYSA-N 429.502 2.334 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1769963503 XFKGNUHJYICQAS-LPHOPBHVSA-N 440.548 2.425 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1770504295 BPUUXWIJEUKURT-VGOFRKELSA-N 442.495 2.222 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)COCCO1 1771113193 MFMZWVAIYGZCEU-HMFYCAOWSA-N 435.569 2.369 30 10 IEEE N#C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1848650232 BRCMBOPAKOONRV-HZMBPMFUSA-N 449.838 2.411 30 10 IEEE N#C[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C[C@@H]1c1ccccc1Cl 1848726202 AYAKSTMVXBOAGK-BBRMVZONSA-N 429.885 2.250 30 10 IEEE N#CC1(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CCOCC1 1850620044 DKPXIWAZQBNRNP-INIZCTEOSA-N 429.901 2.069 30 10 IEEE COc1ccc(Cn2c(C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)nn(C)c2=O)cc1 1850986236 WAQINAVJSHNEJB-UHFFFAOYSA-N 445.523 2.459 30 10 IEEE N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccccc2)c1NC(=O)CC1CC(F)(F)C1 1851702712 BXFOPNUFVMGMTO-UHFFFAOYSA-N 425.399 2.118 30 10 IEEE C=CCOC(=O)[C@H](NC(=O)[C@H]1CCN(C)C1)c1ccccc1I 1852714392 KXRCAMGJATTWJJ-SWLSCSKDSA-N 428.270 2.129 30 10 IEEE COCCN1C[C@@H](C(=O)N(c2ccc(OC)cc2)c2nccc(N(C)C)c2C#N)CC1=O 1852779532 MQJTZUBYFRUIAT-INIZCTEOSA-N 437.500 2.187 30 10 IEEE C=CCN1CCN(C(=O)CN(c2ccc(F)cc2F)S(=O)(=O)c2ccccc2)CC1 1853085915 HAAWAPFJKUZZNB-UHFFFAOYSA-N 435.496 2.490 30 10 IEEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)c1cc(=O)c2cc(N3CCN(C)CC3)ccc2[nH]1 1866525482 KDIGVZZMYIDULB-MRXNPFEDSA-N 430.512 2.170 30 10 IEEE CC(C)N(CC(=O)N[C@H](C)C(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 1867232862 FQCQTNASBVSGLM-OAHLLOKOSA-N 446.504 2.240 30 10 IEEE Cc1ccc([C@H](C#N)NC(=O)C(C)(C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867602440 VGMJLRJXLSIEQH-SFHVURJKSA-N 428.514 2.256 30 10 IEEE COCCCNC(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932226 XPEMDUVNNUACKI-SFHVURJKSA-N 447.582 2.180 30 10 IEEE C=CCn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c(N(C)C)ncnc21 1873561807 ZFNJKMNOMWPTHI-UHFFFAOYSA-N 448.527 2.370 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1873710782 UJQMLWMUYYEDTO-VOTSOKGWSA-N 428.470 2.389 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2cccnc2)cc1 1874220157 XLZZBNWQUWAGOC-YDZHTSKRSA-N 426.502 2.153 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 1889598424 VMWPCTKNJKQLFE-UHFFFAOYSA-N 437.581 2.025 30 10 IEEE Cc1nc(I)c(I)n1-c1ccnc(C#N)n1 1936389523 VEMPATCFSKFYHF-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2083616532 AFCGWXVIKXCIBY-PXDATVDWSA-N 440.588 2.370 30 10 IEEE Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 2116137721 BYOZTOFVRPUELX-RTWAWAEBSA-N 436.365 2.174 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523585 IDOUZFXVUBNPFR-ZWKOTPCHSA-N 446.353 2.142 30 10 IEEE CCOC[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCO1 2172773642 DWWZNIMTUKNWIA-AWEZNQCLSA-N 427.148 2.385 30 10 IEEE C=CCN(CC(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OC(C)(C)C 2214638674 ZGQBMVYBECFPCE-BRWVUGGUSA-N 439.553 2.096 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CNC(=O)OC(C)(C)C 2243384880 YHKZTLLNLDUPCX-LLVKDONJSA-N 425.360 2.394 30 10 IEEE C[C@H](CN(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243389135 HEMGSJLJAXPOIG-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390052 OFFBKEQJACZGCN-GFCCVEGCSA-N 425.360 2.333 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254747563 DPNOOFAAEKZWAC-IAGOWNOFSA-N 433.358 2.309 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255541632 FHBOCIHCZWOOOJ-HOTGVXAUSA-N 432.326 2.390 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2255616508 OXLIEFPENZDXLJ-KBPBESRZSA-N 434.346 2.179 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2255620870 FKSXECGDEQNFBR-KRWDZBQOSA-N 447.288 2.034 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255802567 ANXVBXCORPHURO-UHFFFAOYSA-N 441.284 2.271 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255819298 YVAXSLAJAZQRGM-DOMZBBRYSA-N 435.305 2.163 30 10 IEEE CN(CCn1cnc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2256676728 ZHEICNDKMOMKPR-UHFFFAOYSA-N 432.330 2.115 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)OC1(C)C 2267144188 SMMCANNHTMJXBR-OALUTQOASA-N 436.365 2.303 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267150623 VBBQRKWLOVZLHP-HOCLYGCPSA-N 448.373 2.187 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267178585 DXOHBUUNRKLWBT-KDURUIRLSA-N 436.365 2.208 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 2267181374 RKLOWBZSFDRRGA-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267268181 QQJFTEUCTVFWGF-LJQANCHMSA-N 437.349 2.012 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)OC1(C)C 2267518282 AVIAIHNAADZRRX-MHECFPHRSA-N 436.365 2.303 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)nc2)OC1(C)C 2267586986 RJKKSBMSCXXHDA-HXUWFJFHSA-N 437.349 2.012 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2271952907 UICHLUBZWAFHJN-ZBFHGGJFSA-N 448.373 2.235 30 10 IEEE COc1ccc(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2278702871 XMGVUGJIYHRFLQ-UHFFFAOYSA-N 446.353 2.478 30 10 IEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)cc1 2330778296 TWUQBHRQYVYPJY-UHFFFAOYSA-N 432.550 2.243 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1cc(Br)ccc1C#N 2335428734 ZRXAHGIBDFGPBW-ZDUSSCGKSA-N 446.323 2.197 30 10 IEEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339262417 WSJUHRHYCHQSHJ-IEBWSBKVSA-N 443.353 2.444 30 10 IEEE CC(C)(C#C[C@H](N)[C@H](O)c1scc(Br)c1Br)S(C)(=O)=O 2365209211 FIWOSRXTBHJNBQ-WPRPVWTQSA-N 445.198 2.460 30 10 IEEE C=CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2c(OC)ccc(OC)c21 13791593 WCHCSFYAGLPFRD-YSGBTYPNSA-N 439.559 2.005 30 10 IEEE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 34705628 ZVGIFTBMAZNHPQ-SEJMYLSOSA-N 432.571 2.402 30 10 IEEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)C)CC1 36211646 NMSFTBMQDLPPQB-OAQYLSRUSA-N 429.517 2.101 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1F 102755630 XSPBPGBDYAWMLU-LCPUNJGISA-N 442.491 2.310 30 10 IEEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)s1 103094897 WVCCTONVCHQCGG-VZCCSQPZSA-N 442.541 2.299 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccc2F)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103116048 KAMGIXZVNZWDHB-VZCCSQPZSA-N 430.388 2.165 30 10 IEEE COc1ccc(C=Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1 254812543 KZQTWVHCKJXWQB-UHFFFAOYSA-N 445.541 2.303 30 10 IEEE Cn1cc(-c2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)c(C(F)(F)F)n1 426245502 NFRPGBSVLLKFRU-UHFFFAOYSA-N 426.380 2.348 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC1CCC(C#N)CC1 443339003 YSMDPFCIHNEXGH-UHFFFAOYSA-N 446.573 2.052 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 460543360 INVAUYRERZYZMW-HOCLYGCPSA-N 445.593 2.213 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 461727426 OTSDSVNFZCBIDH-UHFFFAOYSA-N 432.484 2.461 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)c1 461800788 CESMSVKILSAUQD-VQTJNVASSA-N 428.510 2.180 30 10 IEEE C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)n1cnc(C#N)n1 467250985 NIVXXOHTBYGYJN-HRAATJIYSA-N 446.486 2.162 30 10 IEEE COC(=O)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1C 472859236 WWQQKFZQDGPXED-UHFFFAOYSA-N 442.497 2.192 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccccc1C 480962865 VNVJBFQLSJMKME-UHFFFAOYSA-N 437.546 2.083 30 10 IEEE CC(C)(C)[C@](C)(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 499484260 IDMUOQULTYJGFN-NRFANRHFSA-N 446.529 2.019 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 510133299 JULQENLTANBZBG-ZWKOTPCHSA-N 425.489 2.098 30 10 IEEE COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N(C[C@H](C)C#N)C3CC3)cc2)C1 513897963 BSZFNHUNTZZQIE-CVEARBPZSA-N 448.545 2.416 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1-c1ccc(F)cc1 533579509 VUYWUPGRLGHXRY-UHFFFAOYSA-N 431.851 2.080 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)C1=O 538591581 BPEYUVFVJZYVNZ-KRWDZBQOSA-N 427.501 2.338 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1=O 541193888 AQIIHCCMRYFJJC-HXUWFJFHSA-N 436.516 2.036 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 548894061 IBYIIALBLPLTOI-IBGZPJMESA-N 433.512 2.328 30 10 IEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 549634451 NVTZFPMQSAICJD-AZUAARDMSA-N 440.596 2.343 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 549654150 KUIPLXSRYNSTSC-OAQYLSRUSA-N 441.532 2.036 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCCC(=O)NC)CC1 549658380 TVQYWFYESQYDQX-UHFFFAOYSA-N 438.532 2.426 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)n2)c1 552592806 WKSCNOUUMFSBSK-INIZCTEOSA-N 441.538 2.246 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 555170211 RVQNCNASFPWQFD-XJKSGUPXSA-N 432.492 2.485 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@](C)(C#N)C(C)(C)C 565384895 JZLJPUSZYQTRRJ-NRFANRHFSA-N 436.578 2.080 30 10 IEEE Cc1nsc(N2CCN([C@@H](C)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c1C#N 573022439 GSZHYFVIMDOZCL-ICSRJNTNSA-N 438.601 2.224 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(F)c(Br)cc2OCC)CC1 584321565 ZVTUZPZWPZJGEM-UHFFFAOYSA-N 443.317 2.439 30 10 IEEE C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586863713 YODQIOXBLLDQNB-AWEZNQCLSA-N 430.430 2.497 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCCC#N)C1=O 730141023 YRWKUNWVCCNVTI-SFHVURJKSA-N 426.546 2.252 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 733202471 RTSSYLBJPWLRFO-MLGOLLRUSA-N 441.550 2.249 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]1C(=O)OC(C)C 735833329 ZCFDPYNALJJKTJ-SJORKVTESA-N 435.546 2.227 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC[C@@H]2c2ccccc2I)CC1 748817922 PVFPYYYFICCOBY-GOSISDBHSA-N 437.325 2.206 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 749225284 HUVURNNEQALJMA-YVMONPNESA-N 436.281 2.214 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cc(C#N)cs1 752590168 AWQWYYATFAWAJG-NSHDSACASA-N 437.499 2.063 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](OC)C(=O)O 757276620 QMMWYDCZZWGSKQ-LEWJYISDSA-N 436.464 2.133 30 10 IEEE COC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470633 KNYJTIGXHKCWDF-XMMPIXPASA-N 436.464 2.134 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 760614406 GJGWZIDCVNAXPP-UHFFFAOYSA-N 429.230 2.433 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccccc3C)c2=O)cn1 772282663 ITRVGJLROLDZDP-UHFFFAOYSA-N 445.548 2.066 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCCn2ccnn2)C1=O)NC1CC1 784125343 ONDWBRBNURSXQX-MRXNPFEDSA-N 434.472 2.247 30 10 IEEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)c1 784499046 GHLRXQMUMKVQHM-QRVBRYPASA-N 425.514 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)C1 786558077 JZTRMAFXOFVNJB-OAHLLOKOSA-N 437.443 2.316 30 10 IEEE O=S(=O)(NC1CCCC1)c1ccc(NN=Cc2cnnn2Cc2ccccc2)nc1 792963303 XVHQQRSMNGXNRD-UHFFFAOYSA-N 425.518 2.388 30 10 IEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2Cc2ccccc2)CC1 802231418 FMIOICZZEGGNQQ-UHFFFAOYSA-N 449.584 2.042 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802721694 AAAGINLJOIZXTO-UHFFFAOYSA-N 447.564 2.390 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)c2)s1 807247774 FMTMLVQDXLRIKX-IBGZPJMESA-N 438.553 2.226 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2ccc(Cl)cc2)C1 819222673 JHMZTDYBCJXYOE-KRWDZBQOSA-N 433.917 2.369 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2cc(I)nn2C)c1OC 1127854382 OULNXBJDANMENY-SNVBAGLBSA-N 426.214 2.037 30 10 IEEE CC(C)(C)OC(=O)c1cccnc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1130958156 QXGTZSAIXGZOIO-UHFFFAOYSA-N 430.486 2.481 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C[C@H](O)CC3(C#N)CCC3)C2)CC1 1190465947 PFYIJXQFDWFKGM-RBUKOAKNSA-N 434.581 2.223 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1C 1286301441 DVSOVMBSMJZAHM-HXUWFJFHSA-N 446.603 2.191 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2conc2COC)c1 1286312681 YFYJXMGOLPIQMV-UHFFFAOYSA-N 434.500 2.470 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286360402 TVWZAPDEZUZHJE-DENIHFKCSA-N 428.537 2.044 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286387596 SQPQBPYUJKXJNZ-VGSWGCGISA-N 444.557 2.150 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)c1 1286407321 HFSLKVRMSGYDHA-UHFFFAOYSA-N 426.484 2.033 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCN(CC)CC1 1286437938 PHVXDVTURUVULN-SFHVURJKSA-N 425.537 2.339 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1CF 1286466519 HPULACOWVRNXGT-BBWFWOEESA-N 437.516 2.203 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CC1 1286474745 KJNXXPQQNILISA-GOSISDBHSA-N 428.968 2.074 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1286505602 GIBVYXWOOKWQJT-QGZVFWFLSA-N 427.574 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286546964 LXVTUXPIDRUULP-BSRJHKFKSA-N 447.580 2.172 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nnc(C)s2)CC1 1286651459 FKWYOOPYYTWDSL-CYBMUJFWSA-N 439.611 2.083 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286727882 CTENNUWXMZCKTF-UHFFFAOYSA-N 432.576 2.471 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1)C1CC1 1286738681 ZOJMXDHIUWOSHW-LJQANCHMSA-N 431.562 2.123 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CCC(N)=O)CC1 1286783984 SDOLDSZJWWVWNK-UHFFFAOYSA-N 447.543 2.277 30 10 IEEE CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1289130808 FXZKPJZRFMROPG-UHFFFAOYSA-N 448.531 2.449 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)OC 1293990308 AKBXZVMXELNVOC-HKUYNNGSSA-N 440.504 2.185 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1295826777 AREMNLFWORVUEP-HXUWFJFHSA-N 442.589 2.314 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CCC)OC 1300539128 YRXUMEUOOIGBKD-RBUKOAKNSA-N 445.564 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCn2ccnc2C)CC1 1300719553 GRUUTNXPMUVKJP-UHFFFAOYSA-N 448.575 2.235 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](F)COC)CC1 1300731043 LBINPTPGXLBUEM-LJQANCHMSA-N 443.523 2.116 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1301222736 DWRYUAQXCRLOIL-IBGZPJMESA-N 431.562 2.140 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301237586 UAYZRKNPEIDQEJ-JYJNAYRXSA-N 445.486 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1301497640 ZOIDVTSJFOHCLG-CALCHBBNSA-N 449.559 2.459 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1301916771 NSHHLOWSSMPXHS-UHFFFAOYSA-N 440.573 2.445 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1301967778 GNCVUEGAPWMMQJ-JKSUJKDBSA-N 443.556 2.165 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC(C)(C)O1 1305204880 DCLXUBRPELLZST-QZMQVMSPSA-N 441.532 2.272 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1313553976 LLJQBCJIHUHGIL-PMACEKPBSA-N 438.532 2.100 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1314890830 OACRFQUDMSQBAT-LJQANCHMSA-N 440.504 2.186 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1315818361 YMHIFEUKXBABDF-WOJBJXKFSA-N 428.512 2.102 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1315981597 NZGVXSVMQKZFTC-QFIPXVFZSA-N 441.532 2.133 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(C)c(N3CCOCC3)c2)c1 1351601750 MCSIUESAAPPJIF-UHFFFAOYSA-N 447.535 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358869413 KBVHGXVTLDINSQ-IRXDYDNUSA-N 432.569 2.475 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1358931465 BYWZWZWUYWRMFT-NRFANRHFSA-N 449.603 2.200 30 10 IEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1358953295 ROYPZMMXOYKSHG-DQRAZIAOSA-N 434.500 2.070 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358959307 GHOBAWCNHQLWPM-SJORKVTESA-N 447.948 2.313 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1358962185 LZLRRSQEOYJSFS-OAHLLOKOSA-N 434.591 2.025 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(C)CN(C)C1=O 1359018932 GUEBSYAKJRUMRG-ZHRRBRCNSA-N 429.496 2.122 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359049043 GZQMQNPKBBYMES-HIFRSBDPSA-N 447.577 2.126 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359121968 QBULNTUEOWNOSG-WOJBJXKFSA-N 430.597 2.271 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1359157301 FLRKPXQGZXBLIT-WOJBJXKFSA-N 436.944 2.168 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359201797 ABCXCZCOCUFXHR-HNNXBMFYSA-N 442.486 2.480 30 10 IEEE C=CCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290569 HXUBHJNVRHTGTL-QFIPXVFZSA-N 427.553 2.238 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1360750517 XNSHGKXGVNBLNR-IPELMVKDSA-N 431.468 2.091 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1C 1360879325 JPQOGCISJODISU-IEGUWTFLSA-N 438.532 2.242 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1455078495 LRBSPGZSWPTOQE-ZFWWWQNUSA-N 443.447 2.255 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)c(=O)c1C#N 1457780174 OSTKRLWMENPETO-ZFWWWQNUSA-N 430.258 2.474 30 10 IEEE Cc1cc(CN(CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc(S(N)(=O)=O)c1C 1460342544 XDWMGVJIIGKJPL-UHFFFAOYSA-N 447.582 2.261 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCn2ncc(Br)c2C1 1464080508 CGTGDPUWXWUXRX-UHFFFAOYSA-N 446.124 2.484 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)cc1 1464274369 VEEVCHIOTBSVSN-WWROZYCVSA-N 444.488 2.388 30 10 IEEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1470794733 VMJQLLQMECNOIQ-MGPUTAFESA-N 434.518 2.113 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3C(=O)CCC3=O)c2)s1 1472372471 JYWZFHHEDRCYIV-UHFFFAOYSA-N 433.511 2.047 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2CC#N)CC1 1472454921 FMQUEIHZSBTLEJ-FQEVSTJZSA-N 440.544 2.365 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1ccc(Br)cc1 1478897240 WLTXGYSTYPWRIX-IAGOWNOFSA-N 440.363 2.333 30 10 IEEE COc1ccc(CNC(=O)N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1479183443 GHRIQMLNNJIRAC-QFIPXVFZSA-N 430.505 2.488 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C#N)o1 1503713844 UJLLSJXQTJLAHZ-MRXNPFEDSA-N 444.499 2.462 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(=O)(=O)CC)CC1 1507579625 BLZXMMDETZRTKT-UHFFFAOYSA-N 430.530 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCOC 1507654093 VOWFFEQHOOSSJV-UHFFFAOYSA-N 445.564 2.128 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1507727749 LZXUBRCWCIODFP-RXVVDRJESA-N 428.606 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1507739646 SMODFVATCLUIFX-DBXWQHBBSA-N 443.592 2.342 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncn(C)n2)C1 1508130385 VMZHHVOYDZDHQN-QGZVFWFLSA-N 429.912 2.469 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)nc1 1517351343 UYXJZPIRJGDZGU-UHFFFAOYSA-N 430.921 2.394 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1518719832 QGUDPSFFJOEDLF-XKGZKEIXSA-N 438.532 2.068 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3csc(I)n3)CC2)c1C#N 1527591977 JZCDSUYLQOVQSR-UHFFFAOYSA-N 445.311 2.347 30 10 IEEE C=CCN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@@H](Cc1ccccc1)C(=O)OCC 1529014130 BIWPCTIAWZXBGX-FSSWDIPSSA-N 430.545 2.055 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)NC(C)(C)c3cccc(C#N)c3)cc2S1(=O)=O 1532250886 JUEQUDWPSHODGR-UHFFFAOYSA-N 427.482 2.014 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(N2CCOCC2)CC1 1539240064 WGYJUFIDHZOEJC-IBGZPJMESA-N 437.519 2.495 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539627860 LQOSBKZKPURYHT-GHTZIAJQSA-N 439.564 2.411 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539743664 OBKMGCPCZAWQMB-SFHVURJKSA-N 433.578 2.316 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1540048368 UTXOWTUUZTYBKI-HZPDHXFCSA-N 436.557 2.176 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1540051305 COAXBVFALUSYPP-AWEZNQCLSA-N 433.310 2.318 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540910568 KFNJMWFIVGUXPQ-NVXWUHKLSA-N 447.517 2.133 30 10 IEEE CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)c1cccnc1 1541905879 ASUJVLCWZAPLJO-SOLBZPMBSA-N 433.582 2.461 30 10 IEEE C[C@@]1(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CC2)NC(=O)NC1=O 1542013666 JIUFOBYEMVVYQE-IBGZPJMESA-N 447.421 2.194 30 10 IEEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542714610 GWKUXUIEPKFFII-AQMPTVPWSA-N 435.463 2.222 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H]3CCN(C4CCN(C)CC4)C3)n[nH]2)c1C 1543278538 LSDUUKOSMXJOMV-LJQANCHMSA-N 425.581 2.317 30 10 IEEE COC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 1554566652 HTOFNAPRNFSRQK-HXUWFJFHSA-N 429.456 2.085 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1557387552 VCRZZNPSEHDMIK-UHFFFAOYSA-N 435.521 2.336 30 10 IEEE C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1565727718 LOEXLATXLYBVAT-UHFFFAOYSA-N 427.954 2.312 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C1 1583774506 BJHFDLUHLWAKFW-KRWDZBQOSA-N 427.501 2.118 30 10 IEEE COC(=O)[C@@]1(OC)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1584937340 JHAQQTRBVBRFRS-FDDCHVKYSA-N 443.500 2.183 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1585804665 DXGBVACGEBYCLU-LEWJYISDSA-N 428.577 2.226 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1587883730 KHXDOTKIMCNCGX-OAQYLSRUSA-N 437.544 2.407 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588003286 USVLMZFHAZDEII-WMZOPIPTSA-N 442.568 2.049 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(-c2ccsc2)nc1)[C@H]1CCS(=O)(=O)C1 1588035875 YVAOVUXEPXYUMQ-SFHVURJKSA-N 427.555 2.385 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1594625589 HKNOWKIHQUXSBX-KRWDZBQOSA-N 435.594 2.032 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)C1 1595729717 OCZMZZZARQKCBR-APWZRJJASA-N 427.505 2.050 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCC(F)(F)F)C1 1595738156 LXIPBLMUUVFPJB-CQSZACIVSA-N 444.483 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1595788675 GLAHKHRKWHACCV-UHFFFAOYSA-N 448.564 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@]2(C#N)CC3CCC2CC3)C1 1597575798 BWXKZGFSAPDKDS-YPHMPPRQSA-N 439.578 2.247 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1598054888 MLWJDQPEUKVCNW-INIZCTEOSA-N 446.577 2.249 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)c2C#N)C1 1618705358 CWSNZAFYCYTCDI-GASCZTMLSA-N 428.514 2.028 30 10 IEEE CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1623669033 HSVAYVRHLUZFRA-UHFFFAOYSA-N 428.836 2.436 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](NCc2ccccc2)c2ccco2)cc1 1623719688 CGUANCNDSNEDJO-FQEVSTJZSA-N 438.509 2.077 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CCN(CCc2ccccn2)CC1 1627742092 OHYIVEJCYALRHL-UHFFFAOYSA-N 444.532 2.297 30 10 IEEE CN(Cc1cc(Br)cn1C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1630594975 IBZFDBACXWNGHC-UHFFFAOYSA-N 428.283 2.496 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)c1 1640885701 GHWIIHCMLYQQEL-BEFAXECRSA-N 442.541 2.199 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1642765382 NHTPMIBBTVGGLZ-LBPRGKRZSA-N 431.352 2.294 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CO)Cc1ccc(OC)c(OC)c1 1644951128 FDCCUYYKUOQVIP-HXOBKFHXSA-N 434.533 2.420 30 10 IEEE CC(=O)c1nn(C)cc1OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1656954867 XWBIMQQOCFROGT-OAHLLOKOSA-N 425.489 2.371 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F 1661512701 FNIRSISJULZZCG-NSHDSACASA-N 431.841 2.050 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C)C1CCOCC1 1663233538 AQNPBYYHGGFIIL-HNNXBMFYSA-N 429.336 2.423 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCN2Cc3ccccc3OCC2=O)ccc1C(F)(F)F 1664121443 DWUISNOWSKIOMA-UHFFFAOYSA-N 439.415 2.277 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)c1ccccc1 1682352704 SBGXANOUYISWFH-LJQANCHMSA-N 443.525 2.094 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1684181285 XLLZUDIIKAFDAU-GOSISDBHSA-N 433.553 2.321 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CN(CC(C)C)CCO1 1690006660 WFPURVUDEOBFRT-OAQYLSRUSA-N 436.516 2.283 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1nc(C)cc1C 1690066708 MGTLEQFNRVEKBY-UHFFFAOYSA-N 430.520 2.284 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690163608 LDCBIVHSMHKPSE-RXVVDRJESA-N 441.601 2.477 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1690577281 FPSACBVIACQCHH-QGZVFWFLSA-N 431.562 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690666962 MHLXZLVHTIVQOB-UHFFFAOYSA-N 439.564 2.186 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncn(C)n2)C1 1690684844 PQCOPXDWUVTJCC-GOSISDBHSA-N 436.520 2.105 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCOC[C@H]2C)C1 1690712051 MHIUYJSXNMASGZ-NQIIRXRSSA-N 445.539 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2C[C@H]1CO2 1690725127 GLVBYNZZAHUOFB-GJZGRUSLSA-N 438.500 2.116 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCO[C@H]2C(C)C)CCOC1 1692590325 BXEWEPGRUSSGGA-LMVRJCEZSA-N 433.553 2.109 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1694737192 CPZJQILENSLRKY-UHFFFAOYSA-N 437.592 2.274 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1705511283 OPMVGYFXKVLJAZ-MRXNPFEDSA-N 441.532 2.476 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705530614 QJBWVANWIASVSJ-UHFFFAOYSA-N 445.527 2.188 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1C[C@H](C)O[C@H](C)C1 1705584261 DBVYIQCXGAVJJV-OYRHEFFESA-N 435.572 2.450 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1705598502 KVHBQXWEYZTNLV-VIZSFHNOSA-N 445.633 2.154 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)C(C)(C)C 1705629372 GLZUEGJNAAENKM-UHFFFAOYSA-N 436.553 2.307 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1705669702 UAAZKJJKCJUXQZ-PKTZIBPZSA-N 445.564 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705703074 LBOYSMWUTDFOED-NSHGMRRFSA-N 427.553 2.012 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705903621 YWRNLWBYNMVCAB-UXHICEINSA-N 436.516 2.271 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1706657908 AHOHRSCFTJSZDV-ROUUACIJSA-N 444.561 2.045 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C 1710277489 DSDWPMNVEUIBCG-SFHVURJKSA-N 431.544 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1 1722279998 VUUICRIFKWMMFS-NYHFZMIOSA-N 430.505 2.234 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1722331935 AYXHCCZSCYKFGT-QFBILLFUSA-N 449.552 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(N(C)C)CCSC1 1722385686 JTLFHGFEHUMVPK-QHCPKHFHSA-N 439.585 2.376 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1OC 1722394235 PWJMBAKEACKRRI-WIYYLYMNSA-N 444.539 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(N(C)C)CCSC1 1722421870 VAYVBALPCVMUHJ-JOCHJYFZSA-N 429.590 2.477 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC(C)(C)C 1722422872 VOZNVZPGZJXHKM-SFHVURJKSA-N 440.523 2.313 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1722426030 VSJNTHDVLXQNDN-XMSQKQJNSA-N 437.544 2.488 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)no2)CC1 1722433102 LLZWJNUVBKNLBW-UHFFFAOYSA-N 444.337 2.146 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1722438160 ZIQXPVVDNMETMD-PQNGQFLHSA-N 428.625 2.438 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccnc2OC)CC1 1722441782 MAQWPTBXARZZFJ-UHFFFAOYSA-N 436.491 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS1 1722448166 NXBCHJAPULPXGP-MRXNPFEDSA-N 438.557 2.174 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)CC1 1722455569 UZWSRFJFIFRTJX-UHFFFAOYSA-N 442.980 2.420 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)CC1 1722573285 SNOSEORLUDTESX-UHFFFAOYSA-N 425.493 2.170 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)c(=O)n1C 1724366983 GJHXJXJURJSTKG-IBGZPJMESA-N 448.527 2.257 30 10 IEEE CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1727269166 DPIWHLJWEQEUNQ-FQEVSTJZSA-N 432.532 2.282 30 10 IEEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)CC1 1728631583 RNYHXQGUPHQZHC-UHFFFAOYSA-N 439.612 2.226 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1740531362 KPSUENPGAATSBL-HNNXBMFYSA-N 427.509 2.250 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740573400 PJPRHDLJKYZQAV-SFHVURJKSA-N 445.589 2.151 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1740616847 IAEGUKUZSQOEMJ-LJQANCHMSA-N 428.558 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCC1 1740643365 HDTOSEIBWUNGPZ-UHFFFAOYSA-N 430.505 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC1(C(N)=O)CCOCC1 1740649802 DEMLDWLGVOYNQS-UHFFFAOYSA-N 431.496 2.436 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@](C)(O)C(C)C)CC1 1740695457 RQYLAFCKRZQTCU-DEOSSOPVSA-N 433.560 2.293 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(F)c(F)c2)CC1 1740697738 FFYRNUODQGPDSU-UHFFFAOYSA-N 438.482 2.376 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(F)(F)F)CC1 1740703900 GSNPHQTZHRWFHR-UHFFFAOYSA-N 435.406 2.202 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1740730790 IIFDQKZOYNPKDS-PGRDOPGGSA-N 441.557 2.179 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC[C@H]2C)CC1 1740828113 VYXOFXJUYXAZEV-QGZVFWFLSA-N 430.578 2.147 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740842684 ITVBHVYANLZGNG-GOSISDBHSA-N 429.569 2.429 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(C)(=O)=O)CC1 1740842835 NEGWEKLBSBTMPH-IAGOWNOFSA-N 425.599 2.148 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740880715 LPQPHCBEBFENLW-HXUWFJFHSA-N 430.597 2.419 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@@H]1C 1740893676 SDMXLPMSJLDKAF-HRAATJIYSA-N 433.578 2.369 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1740938073 XIDUHWVABRLEJJ-QGZVFWFLSA-N 428.537 2.220 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740958609 FBVWTVIWZZNXKE-HNNXBMFYSA-N 444.536 2.092 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](COC)C1 1740960038 JLRLMYWXWOROBJ-PXNSSMCTSA-N 441.532 2.346 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2Cc2cnnn2C)c1 1748694773 NRWBCGUVQCHBDU-UHFFFAOYSA-N 446.540 2.163 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1748821281 OCSIKDZAXZQAPX-HXUWFJFHSA-N 440.569 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748925905 PAMGTHONUNXVFE-SJORKVTESA-N 429.487 2.285 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(CC)c1 1749033925 RJACXKDBGHZIOP-UHFFFAOYSA-N 427.534 2.225 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1749053977 NNIMFQSTGNGQTI-KSFYIVLOSA-N 443.573 2.001 30 10 IEEE C=C(Br)Cn1c(N2CC[C@@H](OCCOC)C2)nnc1[C@@]1(OCC)CCOC1 1749113148 WGQZBLXABRBPGI-CRAIPNDOSA-N 445.358 2.081 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749441214 ARQDTYDHQXNXOD-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)C1 1749713374 SNCKGTOEILFTQP-RBUKOAKNSA-N 439.626 2.080 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1749730501 GNXTZNSMPBZJEH-QZTJIDSGSA-N 448.593 2.063 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1750005910 DHIUYBSBJBYLIA-YXTQBTIXSA-N 434.585 2.241 30 10 IEEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1751805055 KYGRFDGQZQQQQU-KRWDZBQOSA-N 432.532 2.469 30 10 IEEE C[C@H]1CN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1752402958 HJZOUOHSGUDVKQ-PKOBYXMFSA-N 430.578 2.160 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1760110962 IQRKARALDHAQRR-INIZCTEOSA-N 435.532 2.172 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760137721 WRIWDMZHOKZGJN-IRXDYDNUSA-N 430.553 2.384 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1760197374 VFJPMAFPSFERRK-PZJWPPBQSA-N 440.569 2.483 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCCC1 1760226361 CXTJNFIDPJRPRU-UHFFFAOYSA-N 441.532 2.476 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1760233194 KGBMDXYMDFNZBF-SFHVURJKSA-N 432.594 2.383 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOC2CCCC2)CC1 1760257286 SUWQILSLUGUTHB-DEOSSOPVSA-N 445.608 2.423 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(C)COCCO2)CC1 1760261664 VEOWARRWIQNSOJ-DEOSSOPVSA-N 439.560 2.035 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@](C)(O)CCOC)CC1 1760261741 VURWCVZSCXMLPT-XMMPIXPASA-N 441.576 2.017 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1760262662 VICSKXVZFHMQAG-QHCPKHFHSA-N 447.562 2.461 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nccs2)C1 1760287472 SYVHVSDFZCFKHY-ULQDDVLXSA-N 449.602 2.403 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1760316118 MMQLQRQGNQBTPF-YRNRMSPPSA-N 429.496 2.475 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1760336868 KQONWFUOOYUQEB-KRWDZBQOSA-N 439.607 2.432 30 10 IEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1760360477 CYLLTJPBCLHGKE-IBGZPJMESA-N 437.548 2.124 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)c1ccccc1 1760362888 YODCXIBUNZTRJO-KRWDZBQOSA-N 431.562 2.219 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1760380924 SLZJCYWOKHQFCQ-QGZVFWFLSA-N 438.523 2.027 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760574571 KSDFNQJKBQYJMH-FQEVSTJZSA-N 449.559 2.179 30 10 IEEE CN(c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1767000464 YQJCMESCZFIYSD-AWEZNQCLSA-N 445.476 2.132 30 10 IEEE CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1767739850 UNRXXNNCTKBWPO-LJQANCHMSA-N 439.564 2.438 30 10 IEEE COC[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)OC 1769246263 GJBKDHIKSHSHFR-QRQCRPRQSA-N 437.504 2.385 30 10 IEEE COC[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1770764213 ZSOZEAVCZZQWPJ-FQEVSTJZSA-N 433.516 2.200 30 10 IEEE Cc1c(C(=O)NCC#Cc2cnn(C)c2)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 1850461102 NKESZEPYZBGGFD-UHFFFAOYSA-N 428.456 2.018 30 10 IEEE CN(C(=O)[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc21)c1snc(N2CCOCC2)c1C#N 1851334245 HOKBBQMGFXPBNW-CVEARBPZSA-N 437.525 2.040 30 10 IEEE Cc1nn2c(C)c(C(=O)O[C@@H](COc3ccccc3)CN3CCOCC3)cnc2c1C#N 1851374157 JGVMRJVZGNPYLT-LJQANCHMSA-N 435.484 2.154 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(CCC#N)CC2)c2ccccc2)cc1 1852649895 QGHDRPKCBPERLF-OAQYLSRUSA-N 426.542 2.073 30 10 IEEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)CCCS(=O)(=O)c3ccccc3)C2)CC1 1853735402 SBDPXINBFUCDHJ-IBGZPJMESA-N 431.558 2.241 30 10 IEEE CN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1855573324 XLBFHXUVPQEPFZ-CRAIPNDOSA-N 437.949 2.046 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2)cc1 1858969274 FFJLRWCQAJFZON-UHFFFAOYSA-N 435.933 2.415 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2O)nc1C 1859644590 UAGBWLFPCYDNFO-UHFFFAOYSA-N 430.417 2.437 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(OC)cc1OC 1861059988 RMLGXGXZINZZFM-HXUWFJFHSA-N 426.469 2.272 30 10 IEEE C=CCn1c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc2c(N(C)CCO)ncnc21 1873595251 VLRIXTHFBRDUNU-GOSISDBHSA-N 429.908 2.163 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc[nH]1 1874210936 HLAIXCKQAUAKRW-IMQYADFFSA-N 438.513 2.270 30 10 IEEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c(Br)c1=O 1948171320 KTZUFKXRZPYIKP-OAHLLOKOSA-N 431.290 2.462 30 10 IEEE C[C@@H](C#N)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994711908 GKMWMCXUJZZLPY-HKUYNNGSSA-N 436.578 2.187 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2009841835 CZTYDGUNNHLVCF-ZEQRLZLVSA-N 428.529 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@H](O)C#Cc1ccccc1Br 2227468421 ADXJDGTWOZYUFG-CVEARBPZSA-N 444.347 2.099 30 10 IEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)CONC(=O)OC(C)(C)C 2243676119 FTMCFBYUNYNIFE-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)ccc2Cl)OC1(C)C 2255527020 DRYPBCZQMIAHFQ-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617243 BNABMTVDJZALIC-KGLIPLIRSA-N 434.346 2.275 30 10 IEEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255617914 FKDKKCNGCWMTNJ-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632094 IKEIFMIRUZMFIF-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)n1 2255822680 OADYTCWRLCWJOX-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2256606357 SNLMABHGVAFJMU-ZMSDIMECSA-N 436.358 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1(C)C 2258956479 FHZIAGXIHSCNHF-QRQCRPRQSA-N 436.358 2.182 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)c1ccco1 2267096542 KEZZNZODYPJTEB-AWEZNQCLSA-N 446.313 2.298 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2267145672 IABJSGUJFHPTJS-RDJZCZTQSA-N 446.307 2.204 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)n1 2267148695 CHKUZVLVZMTJFC-CVEARBPZSA-N 446.357 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267163179 VAICHUXZRUJRMQ-JOCHJYFZSA-N 446.357 2.295 30 10 IEEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267518303 CWMJZFWQXCAPHF-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519498 HVXIGUCLFHAZJG-AZUAARDMSA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267527377 GPPJVOXMKWEZDZ-KNCOVGOOSA-N 446.357 2.131 30 10 IEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267874273 YNIFQORRIAULOG-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2283069911 UAGPXRQKMNLVSK-UXHICEINSA-N 448.376 2.370 30 10 IEEE COC(=O)[C@H](CS(=O)(=O)Nc1cc(C#N)ccc1C)NC(=O)OCc1ccccc1 2286046312 UGDZSCKUBVDLDQ-SFHVURJKSA-N 431.470 2.076 30 10 IEEE CCCN1C(=O)[C@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN(C)C)c2ccccc21 2297743685 OAXQWHICLPJRLM-XMMPIXPASA-N 437.496 2.482 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F)B1OC(C)(C)C(C)(C)O1 2303681289 ABAKNHPOKMVREQ-GJZGRUSLSA-N 448.366 2.393 30 10 IEEE CO[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)C[C@@H]1NC(=O)OC(C)(C)C 2315388139 OTLQFOOFEIEJNO-IRXDYDNUSA-N 433.358 2.418 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2319943811 KCKFAPHULOVJRS-YLFCFFPRSA-N 435.374 2.279 30 10 IEEE CCOc1c(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cccc1OC 2329056276 XZPQCKUCMNRUDU-INIZCTEOSA-N 447.561 2.376 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2334261235 JCIPSPGEVCEKFL-RBSFLKMASA-N 446.357 2.227 30 10 IEEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Br)cnc1C#N 2369306692 MVJXPSLFLFWEKN-ZDUSSCGKSA-N 438.326 2.278 30 10 IEEE CCOc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925085 JNWMFWCFUPQENN-KRWDZBQOSA-N 442.541 2.290 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)cc1OC 20292707 MWOKUUVGALORMZ-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2CCN(c3ccc(Cl)cc3)C2=O)C1 238845025 IDFYSKWVYDQSTE-KRWDZBQOSA-N 440.891 2.314 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@@]2(C(=O)CO)O1 254854624 POPFMWWJOGLOIF-LODQKYFWSA-N 436.520 2.499 30 10 IEEE C=CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 410068016 ZGLFPUREYPOHLG-KRWDZBQOSA-N 432.498 2.316 30 10 IEEE CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 443334753 MZSHFYDMEGDUGV-UHFFFAOYSA-N 427.549 2.143 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc1C 465108738 LRFRBHCAWTXBLH-CYBMUJFWSA-N 435.527 2.292 30 10 IEEE CS(=O)(=O)c1cccc([C@@H](NC(=O)N2CCO[C@H](C#N)C2)c2cc(F)ccc2F)c1 466334180 YTMSKPRWWJJNQG-DNVCBOLYSA-N 435.452 2.392 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 471673541 ICFLPYUJYUCBHG-UHFFFAOYSA-N 436.541 2.444 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(C[C@@H]3CCCO3)c2=O)n1 477444210 OSTJWRFTTDWMLU-WBVHZDCISA-N 441.553 2.001 30 10 IEEE COCCN(Cc1scnc1C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 488875648 FYHAXFROSPZTKW-KRWDZBQOSA-N 441.513 2.203 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497572772 HHGGANOTIJWRPE-MRXNPFEDSA-N 441.509 2.070 30 10 IEEE CSc1nc(O)c(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)cc1C#N 507802311 BMLHUIBRZSSTOU-AWEZNQCLSA-N 447.314 2.457 30 10 IEEE Cn1ccnc1CN1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1 530646248 RAGWHTMZKRNNAN-LJQANCHMSA-N 438.557 2.044 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H](Cc3cccnc3)NC(=O)c3ccccc3)CC2)n1 545491010 YBYDUXQMCYKCTK-QFIPXVFZSA-N 440.507 2.038 30 10 IEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](O)(C(F)(F)F)C1 565375652 PYLOMYSFGKCCCZ-LJQANCHMSA-N 434.422 2.272 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N(C)C2CCCCC2)nc1C 586305143 QTVJJJDCYTZVBY-LJAQVGFWSA-N 441.575 2.273 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)CC2)c1 603788304 QXOBLAGOGGWRMO-FQEVSTJZSA-N 435.503 2.222 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609211997 ANMNTSOXEPRMSG-NRFANRHFSA-N 427.549 2.054 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 611530436 ONAMNKQOSVOWSX-JOCHJYFZSA-N 436.537 2.130 30 10 IEEE Cc1ccc(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 685634357 FVCCMNGFZAVREX-UHFFFAOYSA-N 425.510 2.267 30 10 IEEE COc1cccc(N2C[C@@H](N3CC(=O)C(=C4N(C)c5ccccc5N4C)C3=N)CC2=O)c1 725909526 JOKJOBQIUFFHMU-INIZCTEOSA-N 431.496 2.460 30 10 IEEE C#CCN(C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)[C@H]1CCS(=O)(=O)C1 729332781 XPSCDHMAFWZKTF-FQEVSTJZSA-N 437.521 2.484 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCN1C1CC1 741565212 SEAJHTCUMCVAFZ-PKOBYXMFSA-N 427.574 2.137 30 10 IEEE CCN(Cc1cccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1)C(=O)C(F)(F)F 746209877 DYPXPKJQUAMWEG-ISLYRVAYSA-N 438.406 2.452 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)O[C@H]3CCN(c4sccc4C#N)C3=O)c2C)nn1 751638586 UGMKRPUGYTYYLS-HNNXBMFYSA-N 438.469 2.265 30 10 IEEE C[C@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1cccc(C#N)c1 752612297 ACHTYIJVLMKUTL-CABCVRRESA-N 429.498 2.482 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc1OC 762658584 OUHFYAXUEUGKFN-MRXNPFEDSA-N 426.535 2.118 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccn(C)n2)C1=O 765542226 GLNVNRGXBVYJAY-QGZVFWFLSA-N 448.980 2.273 30 10 IEEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)c1 765548988 WRXWIEPRBBTDCO-SFHVURJKSA-N 443.529 2.238 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(OCC#N)cc2)C1=O 771438549 IKIFJZUSOUPQIC-HSZRJFAPSA-N 437.452 2.416 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 779856132 ZRHMMQWYOZYNQW-UZUQRXQVSA-N 428.533 2.266 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1F 787058038 HJBFSOUJMPBJHM-QAPCUYQASA-N 438.415 2.421 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(N(C)C)cc2)c1 788485796 VDPUCQRMQWBUDL-XUTLUUPISA-N 436.559 2.366 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cccc3c2OCCO3)n1 789969003 SQNDBXXCTBAFMX-HNNXBMFYSA-N 426.502 2.078 30 10 IEEE CSCCN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(C)c1 789989275 DSQMYBJRNGHCQL-UHFFFAOYSA-N 435.600 2.500 30 10 IEEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2cnn(CC(F)F)c2)CCCN1C(=O)OC(C)(C)C 791891073 WQKKXDZNYXBHHG-SFHVURJKSA-N 448.492 2.299 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 803519815 JPZXQWVLNQQYTR-HXUWFJFHSA-N 427.526 2.064 30 10 IEEE C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 803699845 RWXFFLOFIUIOSG-KRWDZBQOSA-N 430.526 2.394 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC2=CCCOC2)C1=O 807932070 OWXVBMRJKKOHCC-GOSISDBHSA-N 434.537 2.172 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 813542481 ZOIHVZROBDXSLL-UHFFFAOYSA-N 447.557 2.475 30 10 IEEE CCOC(=O)c1csc(COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 814455419 WOPJSGDJXADUGY-CQSZACIVSA-N 442.453 2.140 30 10 IEEE COCCSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084212871 MMDSKKITQUFCFF-UHFFFAOYSA-N 442.549 2.320 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084643444 XPBQTAGBBOJXJJ-UHFFFAOYSA-N 441.521 2.149 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(C#N)c3)CC2)cc1 1139856278 QEQAYHHLBQJVMR-UHFFFAOYSA-N 428.514 2.069 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCC#C[Si](C)(C)C)n2C 1166057649 QTDUWVLFJVXMEX-UHFFFAOYSA-N 434.638 2.143 30 10 IEEE C#CCCN(CCOC)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1167806138 BPWLLTUOJDTVQS-UHFFFAOYSA-N 430.482 2.328 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286336463 RWXJIVUKVLUDSQ-UNMCSNQZSA-N 449.559 2.399 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](COC)OC)CC1 1286471235 HTRUSJDMNXAKDS-SFTDATJTSA-N 441.576 2.452 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286495821 GHRNVRAJPHFFBP-QGZVFWFLSA-N 440.573 2.181 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286561207 LZUWCTCKZCNNGH-QUCCMNQESA-N 439.564 2.411 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1286638150 VMUFQGUVHAGINH-OKZBNKHCSA-N 425.599 2.496 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)CC1 1286645364 BRRFKPINCKBGIW-QGZVFWFLSA-N 425.599 2.450 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)C1 1286809759 LABZJWQXKZJYDI-UXHICEINSA-N 425.533 2.295 30 10 IEEE CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1286944447 CJMPZIDOIPQELS-RDTXWAMCSA-N 432.912 2.326 30 10 IEEE CC(C)C(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1287126250 MPAKMJDKTPPGBK-QFBILLFUSA-N 444.511 2.448 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCn2ccnn2)CCOC1 1288304703 HOHBHCCJSVEUQQ-OAQYLSRUSA-N 428.541 2.131 30 10 IEEE CSCC[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nnc2ccccn12 1290359469 SYGFJUKQBXPYGE-MRXNPFEDSA-N 447.517 2.390 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1296168089 PKTLXZPFNVQQND-OCCSQVGLSA-N 434.497 2.256 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)NCCC)s1 1297528687 VUZQIHGIZSYJSM-OAHLLOKOSA-N 443.591 2.272 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1298070753 OWJPMEPLBDAVNE-QHCPKHFHSA-N 437.548 2.435 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1300421541 JUYBLIJSRMMNGG-UHFFFAOYSA-N 429.532 2.146 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300423843 WZWZGUAMYNZPGX-QGZVFWFLSA-N 426.496 2.450 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1300497089 XHELMUAIEMOIDO-IAGOWNOFSA-N 442.532 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN2CCCCC2)CC1 1300719633 JQUNYWRZVDJDFG-IBGZPJMESA-N 437.592 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2csc(C)n2)CC1 1300726917 UDKGLUUYNUKIMG-SFHVURJKSA-N 442.589 2.146 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1300805956 LXFDXOXMIZUCTE-NPPFBWRTSA-N 433.622 2.293 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1300885521 QDEJXZJANLRSCT-ZOBUZTSGSA-N 437.591 2.254 30 10 IEEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300972836 QTHIUXTWMSIJDY-HSALFYBXSA-N 430.597 2.332 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1301032943 BZOMPVKXDYNHDL-ROUUACIJSA-N 433.004 2.426 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(NC(C)=O)nc1 1302241503 HQDFPHVAZHVZSF-LJHODMEESA-N 427.509 2.142 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1302746760 VTAXANSLNMXPDI-ZREAOVPFSA-N 435.532 2.415 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@H](O)CC4(CCOCC4)C3)C2)C1 1302916304 ZSRDZVNTJVHKLS-SRXHXZOOSA-N 433.549 2.163 30 10 IEEE C#CCOCCN(C)C(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1306016956 VTMGPVMOSNVZHV-UHFFFAOYSA-N 434.492 2.090 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)cc1 1310131943 WTCQBUJIOFNLPO-FOIQADDNSA-N 436.534 2.236 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1315966944 ISECSTAUESPHOG-QMHWCDLVSA-N 435.532 2.210 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC2CCOCC2)CCO1 1316539546 DOUNEUALFZFERZ-HXUWFJFHSA-N 429.496 2.322 30 10 IEEE C=CCO[C@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)C1 1320038076 NCXFWIHAOFECNY-IQFISFIMSA-N 433.505 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCCCC1 1358978566 PIXYSTSMHVFTMG-UHFFFAOYSA-N 446.603 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCN(CC)CC1 1358981607 QMLYAAQNZOZWSN-JOCHJYFZSA-N 443.599 2.380 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1359021456 PHFWQIFIRIKYQC-OAQYLSRUSA-N 445.527 2.303 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc(C(C)C)cs2)CC1 1359030540 YCCITZACNTYICG-KRWDZBQOSA-N 432.594 2.386 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1359192982 UDIRERCOZPXIEP-IBGZPJMESA-N 443.573 2.109 30 10 IEEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1359241839 FVUNYQADFNHREI-UHFFFAOYSA-N 439.582 2.009 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCOCC2)C1 1359323385 NJVQOFVADYZWRU-MRXNPFEDSA-N 434.487 2.470 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1359492287 HKBGWKKCSOMQNU-IBGZPJMESA-N 447.547 2.412 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCn2cncn2)CCOC1 1360323474 DUTVBEXFYKLUNN-QFIPXVFZSA-N 436.520 2.118 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)CC1 1436029778 PGQSFNAEPMTWBM-FQEVSTJZSA-N 441.528 2.345 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(CCN3CCOCC3)CC3CC3)ccc2c1=O 1453979618 CHYWADNAHOBDBT-UHFFFAOYSA-N 428.558 2.056 30 10 IEEE C=CCn1c(SCC(=O)N(C)C2CS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1 1454442478 DTLGHRIDDKRKTK-UHFFFAOYSA-N 426.951 2.132 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(CC(=O)OC(C)(C)C)CC3)cc2C1=O 1462228905 RBBPONAWXWJADE-UHFFFAOYSA-N 427.501 2.005 30 10 IEEE N#Cc1ccc(OCc2ccc(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)o2)cc1 1463434568 XLPZVXYWOLVYHV-UHFFFAOYSA-N 430.482 2.150 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1)C(C)C 1463620936 YKAAPTKCNPPIMN-ZDUSSCGKSA-N 435.283 2.322 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(Br)n1C 1464288169 ANJPBSVDGXTHFZ-UHFFFAOYSA-N 442.314 2.013 30 10 IEEE C#CCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1464701388 YLLWOXXGFSCGNR-UHFFFAOYSA-N 445.582 2.129 30 10 IEEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1S(=O)(=O)NCC#N 1466430898 VSKQLIHZXBELOX-HXUWFJFHSA-N 427.526 2.210 30 10 IEEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cc2n(n1)CCCC2 1469622830 OKRBUTZPYIDKSV-MRXNPFEDSA-N 441.557 2.369 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1471118479 ODLZGGXKQXZPDA-ORAYPTAESA-N 434.892 2.153 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 1473107468 NZHFJRFZEDGJLQ-UHFFFAOYSA-N 438.915 2.356 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 1473139975 YDHSOGQEDAZXDE-UHFFFAOYSA-N 429.480 2.255 30 10 IEEE C#CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCc2ccccc21 1473826737 UYKNHPSRMXLFPU-HSZRJFAPSA-N 439.581 2.396 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1479381722 QHAOPQQCPQNVLO-QGZVFWFLSA-N 449.342 2.490 30 10 IEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1493065686 HZWQMEJRASUUJY-AWEZNQCLSA-N 435.488 2.049 30 10 IEEE C[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1494014971 CZGSFGAQAJYRQB-SIUCFOQUSA-N 436.516 2.272 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1501154435 LSKDACTYIGHSSM-UHFFFAOYSA-N 425.537 2.084 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCn1cc(C)cn1 1503102078 AWYSKHKSASQXGX-UHFFFAOYSA-N 438.511 2.357 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCCNS(C)(=O)=O 1503476763 OZVGKVBFDWRHJU-UHFFFAOYSA-N 430.578 2.458 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503530049 BDJOIUQOIFONIC-JROKQLJMSA-N 426.521 2.101 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@H]2C)cc1 1504304807 GGSFBWSPSROCKF-ZWKOTPCHSA-N 428.537 2.182 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)n1 1504774990 PSEQCDZUVQJHNI-SFHVURJKSA-N 435.488 2.370 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCOC4)C3)n2CCSCCCO)cc1 1505319534 ZOWZIVPGJOEUAN-JOCHJYFZSA-N 443.573 2.461 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507747758 LDJYLGVGXDRSAL-MAUKXSAKSA-N 441.557 2.044 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1507919723 HVHBYOOLEIOWNM-HTAPYJJXSA-N 432.569 2.089 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1508018049 ZZWBVWIFZYOSRZ-SFTDATJTSA-N 436.560 2.309 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1508432089 HSRZJXGCBPJZJT-ULQDDVLXSA-N 434.541 2.361 30 10 IEEE Cc1cccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511144557 YSMUZULADUIZGL-LZICOFPGSA-N 439.545 2.117 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1515481059 KKWZHXAUIHSXEW-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1516755063 JLRHEMJCOIPPHP-QFIPXVFZSA-N 437.592 2.315 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1517492887 PGFCGTCDUIODPH-AVRDEDQJSA-N 426.496 2.216 30 10 IEEE COc1ccc([C@@H]2COCCN2C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1536076113 GUKCUFDXGAWYMC-RTWAWAEBSA-N 448.479 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCC(=O)N1CCCCC1 1539279156 WDQIWMUVMRXTCB-UHFFFAOYSA-N 435.528 2.341 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1Cc1ccccc1 1539408772 CCPJOABEAIRHQQ-OAQYLSRUSA-N 431.544 2.486 30 10 IEEE Cn1cc(I)c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)n1 1539535295 DQVSKYXTBCIRSB-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1540040459 UWHGDSOBPUDBFE-UHFFFAOYSA-N 440.504 2.210 30 10 IEEE COc1cc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc(OC)c1 1540089864 NIEIGCAJSLHIJN-FQEVSTJZSA-N 436.468 2.139 30 10 IEEE CC(C)(C)OC(=O)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)(C)C 1540648166 YMWIIZTWKTUUNZ-SFHVURJKSA-N 449.573 2.395 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCc1cccnc1N1CCOCC1 1540744520 BZDCMZYKJHZFRJ-UHFFFAOYSA-N 431.290 2.248 30 10 IEEE CC(C)NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541689607 CLVDXSOYRUMPEG-UHFFFAOYSA-N 438.580 2.375 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCS1 1546733008 VLKQSYDCXPVMMR-SFHVURJKSA-N 449.602 2.210 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCN(c2ccccc2C#N)CC1 1547750160 IASFFDSOCXJVBF-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1548061403 CVNQNABQACKOLN-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC2(C)C)c1 1557998618 NLMOQBDPOSSTLI-UHFFFAOYSA-N 449.573 2.460 30 10 IEEE N#CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C(F)(F)F 1558443583 ZLVRIODHOXOYFG-AAEUAGOBSA-N 439.481 2.248 30 10 IEEE CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc21 1558464692 LTDRLGMFPXQDQQ-IBGZPJMESA-N 439.541 2.382 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(SCC)cc2Br)c1=O 1559343658 CZPZGEQPOIKYPT-UHFFFAOYSA-N 438.347 2.467 30 10 IEEE CN(C[C@H](O)COc1ccc(CC#N)cc1)C1(CNC(=O)OC(C)(C)C)CCOCC1 1560179340 MIFFTLUAUBYDHJ-IBGZPJMESA-N 433.549 2.498 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C(F)(F)F 1565253306 KCPBCVOMEVWNCY-RQJHMYQMSA-N 436.321 2.071 30 10 IEEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)COc2cccc(Br)c2C#N)O1 1585053308 IQSXKURRLLDQBU-OWQGQXMQSA-N 439.306 2.121 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCOCC1 1588093698 NBXRTRSIWDBNJP-UHFFFAOYSA-N 429.471 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1588159175 RFMFFQJAPLWGLA-GOSISDBHSA-N 443.511 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1588198349 PSXBMHSRAUSQND-UHFFFAOYSA-N 433.479 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1588697687 UZUFJNIRWYNJHT-FQEVSTJZSA-N 439.560 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CSCCS2)CC1 1588930466 WQJGZNYFBPBONV-ZWKOTPCHSA-N 449.646 2.334 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1589048034 RSDVRADBTVIESD-UHFFFAOYSA-N 439.589 2.330 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1589404896 NFRKNARXOIUDQO-APWZRJJASA-N 440.386 2.382 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1589657967 OSRIUTIJZPRDEQ-LJQANCHMSA-N 440.548 2.186 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1593895674 TYRWPHIFQAPBID-DLBZAZTESA-N 432.956 2.384 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CCOC)c2)CC1 1594202451 PZOVCPSLLMXPNE-JOCHJYFZSA-N 430.553 2.224 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1595570108 XSWJJYPJLHPNOV-OALUTQOASA-N 426.565 2.121 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1597064576 KMNYPHGKGQNCMD-JKSUJKDBSA-N 425.526 2.105 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1597338300 VHNZUIQIONCKPT-HZPDHXFCSA-N 444.502 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1598448866 MOBXZXUGYBMCGX-SELNLUPBSA-N 427.501 2.342 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCCn4nc(C(=O)OC)cc43)ccc2c1=O 1611685499 FNMZEDOVKRMASL-AWEZNQCLSA-N 439.497 2.119 30 10 IEEE O=C(CCCc1ccccc1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1615397595 HQVBVXKSLQDHTJ-UHFFFAOYSA-N 429.520 2.453 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1CCCNS(C)(=O)=O 1617870222 YCWRXJYEIQMEHY-UHFFFAOYSA-N 430.578 2.458 30 10 IEEE O=C(Cn1nc2n(c1=O)CCCC2)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618130833 DBLQFIMMGNPDQF-DTORHVGOSA-N 448.314 2.011 30 10 IEEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](c1cccc(C#N)c1)C(F)(F)F)C2=O 1620526324 HODBCQSYSLDUFM-CHLGFOLGSA-N 437.422 2.283 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(CC#N)n3)c2)CC1 1625015070 JKZJZYPDZNCDFS-UHFFFAOYSA-N 447.948 2.380 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C 1628421645 MROHPBPPMYSTNX-CABCVRRESA-N 438.550 2.035 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(C)(C)CC#N)c1 1629555555 ZFDQNIPEAJXIEK-UHFFFAOYSA-N 432.340 2.043 30 10 IEEE Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)nc1 1630473358 AWMWZCDFDQZCKT-UHFFFAOYSA-N 444.488 2.317 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1630585160 HUSJSKRLCHBGTH-GJZGRUSLSA-N 434.928 2.421 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1631336380 VBTFNCBRSNIKLR-XXBNENTESA-N 428.533 2.357 30 10 IEEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1636546319 OKOPTSLXYHLOGT-UGSOOPFHSA-N 447.488 2.076 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1637736052 LIMRZXGCCPYJMG-GJZGRUSLSA-N 447.960 2.463 30 10 IEEE C=CC1(CC(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)CN(C(=O)OC(C)(C)C)C1 1637822029 ZRWCQIIQTHJZEA-UHFFFAOYSA-N 430.505 2.044 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 1640924659 QIRXECVPYJCTEU-KRWDZBQOSA-N 447.557 2.087 30 10 IEEE COC(=O)c1cccc(CN2C(=O)c3cccc(Br)c3S2(=O)=O)c1C#N 1644283171 HUXZMKLKVVZRKK-UHFFFAOYSA-N 435.255 2.452 30 10 IEEE CNC(=O)c1cccc(N(C)C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1645010058 OUWBVLDVHJTPMV-SFHVURJKSA-N 442.541 2.162 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N3CCCS(=O)(=O)C[C@H]3c3ccccc3)cc2)c1N 1645668859 FDBCKKJBBGOZJM-FQEVSTJZSA-N 435.509 2.328 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3nnc4n3C[C@@H](C(F)(F)F)CC4)cc2C1=O 1649376514 ORACDUWHTANDIJ-ZDUSSCGKSA-N 447.417 2.457 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 1659906906 QBJWUHPCGGWIHV-UHFFFAOYSA-N 427.574 2.250 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1668990634 PFJZNZRFNAUJIA-HNNXBMFYSA-N 446.479 2.179 30 10 IEEE C#C[C@H]1COCCN1C(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 1679161107 JAUSLTICQZKOID-SFHVURJKSA-N 429.498 2.040 30 10 IEEE Cn1cc([C@H]2CSCCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1682226063 BINGSSNVMWCRLY-VQTJNVASSA-N 438.557 2.282 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(OCC(F)(F)F)n2)n1 1686377348 WNKLMANOCXIBAL-UHFFFAOYSA-N 425.411 2.211 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1689928876 YXGXLHALHYPZKT-SJORKVTESA-N 430.553 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@](C)(O)C2CC2)CC1 1690140008 IGMDKGDQSWKFAG-QHCPKHFHSA-N 425.508 2.211 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690172298 BKSMLJDLAMVWHO-UXHICEINSA-N 433.622 2.435 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@H]1CC 1690670999 NDCHFYHQPHZWPH-PKOBYXMFSA-N 438.580 2.379 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)CCc3cnccn3)n2Cc2ccc(C#N)o2)CCOC1 1692576898 FNMHFQMCTWOIMQ-JOCHJYFZSA-N 437.504 2.301 30 10 IEEE Cc1cccc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1692957280 HSOXNYMKFGKFSP-QINHECLXSA-N 434.541 2.442 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCCC2)n1 1693429781 JNGGPIAIHPDSHB-HXUWFJFHSA-N 426.569 2.133 30 10 IEEE CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1694146725 DLTKYINUSMESIP-APWZRJJASA-N 446.577 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705476058 RIJMYZNFZBDHQA-LLVKDONJSA-N 443.861 2.426 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C(=O)NC 1705516696 HKEZCSHRLUBSOL-GOSISDBHSA-N 438.580 2.074 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1705552222 WNDVLDGWPMAZTR-LBPRGKRZSA-N 428.436 2.038 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC[C@H]1CCOC1 1705582952 NLGAHMXHAKPPQI-DENIHFKCSA-N 436.512 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1cnc2c(Cl)cnn2c1 1705595154 IHIREWURPDGINF-UHFFFAOYSA-N 431.891 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCc2nnc(C)s2)CC1 1705645755 DFIYMVSWKAMZOP-UHFFFAOYSA-N 435.557 2.314 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1705687079 VEFHNDINHFWTKL-UHFFFAOYSA-N 425.331 2.423 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1705709580 AWIHCIFVKNJWQH-OAHLLOKOSA-N 431.566 2.410 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)noc1C 1705837104 PUWSEWLFDUJSBN-UHFFFAOYSA-N 430.534 2.471 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1705884539 QWVMSHYDICBELM-SFHVURJKSA-N 441.536 2.010 30 10 IEEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)o1 1708980621 FVIBVKHWKBBWPR-KRWDZBQOSA-N 440.529 2.347 30 10 IEEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1710793626 OPEYJMCYIXVFNH-UHFFFAOYSA-N 446.577 2.105 30 10 IEEE COCCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1712310015 AXWXLRFBFPPELS-NRFANRHFSA-N 439.499 2.425 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2COCCO2)CCO1 1712883525 RCSWTMLWWVQVHG-DLBZAZTESA-N 435.431 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@@H]2CC)CC1 1722447539 JEFRFVRDNSYIME-UHOSZYNNSA-N 426.565 2.021 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1722513475 XFNZTGKLHADLRL-HSZRJFAPSA-N 440.548 2.382 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722698357 DWNDBXHJMSSFOX-PKOBYXMFSA-N 429.496 2.191 30 10 IEEE CC1(C)CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1724027230 CLSXPIYKZLIZLA-OSCRUYLVSA-N 428.537 2.325 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNC(=O)C(C)C 1729082694 OWJDOKLFMUISGW-FQEVSTJZSA-N 440.548 2.426 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1 1730909641 JHRTXILHEOWOBI-PZJWPPBQSA-N 441.532 2.397 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1740625812 QGLDCOZCCZWSCH-OAHLLOKOSA-N 437.363 2.278 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([S@@](C)=O)CCC1 1740636197 WOHRQVWOEWXBQN-SSEXGKCCSA-N 426.542 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1C 1740652857 PMJOLFWVIJFBPD-UHFFFAOYSA-N 437.507 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1740701802 CVJOHIGXIJQDGT-MRXNPFEDSA-N 440.514 2.252 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740710047 UZPLHQADFYGSHO-SFTDATJTSA-N 448.681 2.389 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1740713731 PJEPMVARLBMZRY-MRXNPFEDSA-N 443.573 2.421 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740852011 HQRHKNYNQVFULN-QUCCMNQESA-N 432.613 2.406 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740957659 WSNMWORRSYXBEM-UHFFFAOYSA-N 445.527 2.497 30 10 IEEE CC(C)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1741607863 XTNBJXZZXAOSHJ-HXUWFJFHSA-N 438.580 2.453 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C#N)o2)C1 1746534799 IFAQPJWEGIQINO-GOSISDBHSA-N 440.529 2.285 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C[C@H]1O 1748336744 KGRGPISWGRZWRV-IEBWSBKVSA-N 427.505 2.135 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1748745766 WVQRHTKPSADPMF-SFHVURJKSA-N 432.532 2.460 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1748815515 RBPDMYFFBHDVGK-IKGGRYGDSA-N 449.602 2.407 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748824517 PQSODUJSQJTGKM-QGZVFWFLSA-N 432.521 2.423 30 10 IEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1749758625 VFPROHKSEDTQSO-UHFFFAOYSA-N 428.530 2.301 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)C1 1750380455 ROGZWUUGTOITIU-GCJKJVERSA-N 426.496 2.321 30 10 IEEE CC(C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750532943 GBLFYIFEIAYZMV-UHFFFAOYSA-N 448.487 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC(F)(F)CO1 1760193487 GRKUXMWGCGOYOC-KRWDZBQOSA-N 447.873 2.359 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1760226597 HZCBIIJSGIHTIM-UHFFFAOYSA-N 432.546 2.247 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)CCCO2)n1 1760252527 OVVMAEDDJPXUBP-WMZHIEFXSA-N 442.564 2.224 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@@H]2C)CC1 1760265722 HWNPZFZAPPBNLW-BJLQDIEVSA-N 431.581 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1760269631 AHSVHEGQRDXTRQ-JOCHJYFZSA-N 429.952 2.367 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760322821 XYJDJDRBYFQRSO-LNLFQRSKSA-N 444.580 2.321 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760342452 CHJHDYILEGOEDS-JOCHJYFZSA-N 445.589 2.226 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccnc1N1CCOCC1 1760502981 UGRISHVGLRMXPK-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccco2)C1 1760527069 YBKXWEIZVZISJN-OAHLLOKOSA-N 440.529 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCN(C(C)C)CC2)C1 1760541232 XRTTYHMXECUNAU-HXUWFJFHSA-N 426.565 2.357 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)C1 1760543550 SYXLUNZTQFXTQI-GJZGRUSLSA-N 436.438 2.473 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1761363631 HVUHNAVBVHOKKN-OAHLLOKOSA-N 430.484 2.017 30 10 IEEE CCc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)no1 1762742467 BLZZAHJXZZBVBF-HNNXBMFYSA-N 445.430 2.463 30 10 IEEE CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1768249439 GTFCCHUHYDMFCA-LJQANCHMSA-N 429.546 2.430 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1769274670 RYRWUBZZNKOALO-QGZVFWFLSA-N 425.472 2.035 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1770457207 XAQCKGGMZATCTL-XGNMISCSSA-N 436.516 2.393 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)NC(C)C 1771282428 CMIQKLKXXGVYFO-FPOVZHCZSA-N 440.548 2.425 30 10 IEEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)ON1C(=O)c2ccccc2C1=O 1772789866 FYLQXECHLWDZAW-UHFFFAOYSA-N 442.493 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)S1(=O)=O 1851620445 WZPMRJLHMJJZKP-UHFFFAOYSA-N 434.518 2.099 30 10 IEEE Cc1cc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)ccc1F 1854413504 DXXAXVUDYUAROE-UHFFFAOYSA-N 435.521 2.294 30 10 IEEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868794733 FQUSXETZCFNTQJ-RTBURBONSA-N 431.606 2.084 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN(CC)CCO 1870400791 WTWGQPZVIMFTPD-UHFFFAOYSA-N 427.501 2.069 30 10 IEEE CCCCCCCCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CC(O)C1 1870670401 DFGFTVFUYBJQEV-UHFFFAOYSA-N 438.565 2.344 30 10 IEEE C#CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871008686 IPPICLPEPDQKFC-UHFFFAOYSA-N 443.459 2.452 30 10 IEEE CCc1nc([C@@H](C#N)C(=O)CN2CCN(Cc3ccccc3)CC2)sc1C(=O)OC 1872796154 NSUXVIJGTCCXDU-KRWDZBQOSA-N 426.542 2.486 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cncc(OC(C)C)c3)CC2)CC1 1890068427 QHHVLIQRFQGNJT-UHFFFAOYSA-N 428.577 2.131 30 10 IEEE COc1ccc(N2C[C@H](C(=O)NCC#CCN3CCc4ccccc4C3)CC2=O)cc1OC 1890897613 ROGJQEQDNXZIHE-OAQYLSRUSA-N 447.535 2.235 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H](O)C1 2073248686 SKBVTMNMTUUONM-MIRVZWSXSA-N 432.326 2.343 30 10 IEEE COC(=O)[C@@H]1Cc2ccc(Br)cc2CN1Cc1cc(O)n2ncc(C#N)c2n1 2087917701 BEGHRNTURIEENM-INIZCTEOSA-N 442.273 2.169 30 10 IEEE CN(C[C@H]1CCS(=O)(=O)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172784201 NPUSJMDLAWCQME-GFCCVEGCSA-N 445.188 2.014 30 10 IEEE C=CCCC1(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2243167460 GTNSNKQLXCDYQS-HNNXBMFYSA-N 427.542 2.192 30 10 IEEE CC(C)(CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243389458 JBJLIOGDELDMOF-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2247836200 YGQIRVKZDIXNSD-LBPRGKRZSA-N 439.343 2.113 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2247953998 XDKYGKGISYKWFI-UHFFFAOYSA-N 430.379 2.396 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254800560 NULILKRDFPWSCA-QGZVFWFLSA-N 432.374 2.344 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(C)(C)NC(=O)OC(C)(C)C 2255614812 MNNVCWJAJMLVDC-ZDUSSCGKSA-N 436.362 2.141 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255647502 ZOSVEFLONPNTPM-LLVKDONJSA-N 447.288 2.116 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CNC(=O)OC(C)(C)C)CC1 2255693080 FUTUXILVNQCOSZ-UHFFFAOYSA-N 433.358 2.359 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255696146 PSIYJFKANXMQTN-GOEBONIOSA-N 431.342 2.366 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CCN(Cc5ccccc5)C[C@@H]4C3)[nH]n2)OC1(C)C 2267142525 VTNKODPAEYECHJ-RTBURBONSA-N 436.365 2.303 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267153661 SFHZKDJKWRLCCK-GDBMZVCRSA-N 448.373 2.235 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267183677 HSWJEJINBMHQCZ-XLIONFOSSA-N 438.381 2.360 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267236789 FVTKMGSUQMCRLT-QZTJIDSGSA-N 446.353 2.316 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2267493094 GJIKVUAYQDWSDZ-OALUTQOASA-N 436.365 2.066 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267547047 FRMPBCIOQVOKLC-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550690 CPIVYKHRCADFTM-LSDHHAIUSA-N 446.357 2.009 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267610091 XSIBDNADHWNKMG-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879584 JADRQAUIVTXJFI-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268717787 ZBKLILGDYAWICM-CABCVRRESA-N 447.341 2.392 30 10 IEEE CO[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2268725452 WHVGHCKDBBXUEV-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE Cc1cc(S(=O)(=O)NC2CSCCSC2)sc1B1OC(C)(C)C(C)(C)O1 2282303727 ABGBYBZVCFMPMN-UHFFFAOYSA-N 435.467 2.483 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300339519 FBPDWXZFEZDSDO-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccncc1 2329056400 VZBWGYNGQFDQAP-MRXNPFEDSA-N 430.534 2.325 30 10 IEEE CC(=CC(=O)N[C@H](C)C(=O)Nc1ccccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 2331915525 CRCPSMVRDVWPKY-MRXNPFEDSA-N 440.525 2.355 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2336392747 SISCNXXKIDTZRF-CQSZACIVSA-N 446.357 2.086 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1 20293111 JGYCFEPYWHRIIS-FSJBWODESA-N 425.518 2.163 30 10 IEEE CC(C)n1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 20910226 QWVQPSCWALEHDH-KPSZGOFPSA-N 428.478 2.488 30 10 IEEE CCOc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)c2ccccc2)cc1 254823790 PXZRFMBAMVKKRV-SFHVURJKSA-N 448.483 2.414 30 10 IEEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 460942173 WXDJFGAOPDNFPI-UHFFFAOYSA-N 442.545 2.349 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)cc1 464902588 JZYXWHXPXHHLBU-SFHVURJKSA-N 437.399 2.342 30 10 IEEE O=C1C[C@H](c2ccccc2)N(CC#CCN2CCNC(=O)C[C@@H]2c2ccccc2)CCN1 472584333 WUKZFNYVIGAGQU-DNQXCXABSA-N 430.552 2.116 30 10 IEEE CCCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 480307641 DNPPBCRCQHCKSS-HNNXBMFYSA-N 431.514 2.339 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 485661364 AJWSDGJXMWHGRT-UHFFFAOYSA-N 434.436 2.362 30 10 IEEE CNS(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)ccc1OC 499396066 RBZRSVJIIUHWET-AWEZNQCLSA-N 438.303 2.360 30 10 IEEE CC1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 507842841 ZSYSQZVMYYSHAW-UHFFFAOYSA-N 447.557 2.401 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1N1CCCS1(=O)=O 525450195 SZATWPGUKLNGGY-UHFFFAOYSA-N 440.529 2.156 30 10 IEEE COC(=O)c1cc(I)cc(NCC(=O)N[C@](C)(C#N)C2CC2)c1 536302441 NPOJXLRKILMJQS-MRXNPFEDSA-N 427.242 2.298 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1nc(-c2cccnc2)no1 538352997 WMYSYZNOAGGFAL-FQEVSTJZSA-N 449.490 2.112 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 541323683 QYGIXXJIZDRVSP-UHFFFAOYSA-N 433.442 2.090 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2)n1 544841055 GOWSNZPULSAKLO-UHFFFAOYSA-N 430.394 2.047 30 10 IEEE CN1CCN(c2ccc(NS(=O)(=O)c3c(F)cc(C#N)cc3F)c(C(=O)O)c2)CC1 547872556 JIQUMPVTWPXVRA-UHFFFAOYSA-N 436.440 2.087 30 10 IEEE Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 554968928 YNSFSWBUFCOBOV-UHFFFAOYSA-N 438.431 2.427 30 10 IEEE C[C@H](c1ncc(Br)cn1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 583280638 IVLLBAROWJKXSR-CYBMUJFWSA-N 436.335 2.178 30 10 IEEE COC(=O)c1ccccc1NC(=O)C[S@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586275877 RGNNIMMHYZAPBQ-PMERELPUSA-N 445.522 2.221 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CC1 604185730 XATCHWYJMIOJCX-UHFFFAOYSA-N 432.528 2.155 30 10 IEEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1 609917364 PEEBVSSBOQKQLO-INIZCTEOSA-N 431.489 2.306 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)cc2C1=O 613599347 VVVUTSVAGKFBBX-UHFFFAOYSA-N 432.480 2.032 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 726173039 CUHWPOOQJDMVCL-UHFFFAOYSA-N 436.497 2.416 30 10 IEEE N#Cc1cnn(CCOC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)c1N 729811280 XGWNSRCKFNYKJL-UHFFFAOYSA-N 442.277 2.415 30 10 IEEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730140968 INYWLKWNGQVESI-MRXNPFEDSA-N 426.970 2.376 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(C#N)nc3)cc2F)C[C@H](C)O1 734601675 JKEZGURXLAEGSK-GJZGRUSLSA-N 426.448 2.179 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CC(F)F)C1=O 751923932 KTRADRVOXMBHHP-AWEZNQCLSA-N 443.907 2.476 30 10 IEEE C#CC[C@H](NC(=O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757333771 VHUDVTBTCPVEMN-NRFANRHFSA-N 436.464 2.134 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C[C@H]1CCCO1 758560387 PAFLZRRURRLKTE-CQSZACIVSA-N 431.583 2.397 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(OC)c3)c2=O)cn1 772274227 CIWDGJJHRDFELN-UHFFFAOYSA-N 432.505 2.077 30 10 IEEE C#CCN(C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 774248905 BYKGEBRWBTYTHN-GXTWGEPZSA-N 431.327 2.351 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)ccc1OCCOC)[C@H]1CCS(=O)(=O)C1 778290103 SVVHFAIXNUCVSA-AWEZNQCLSA-N 445.335 2.129 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)OC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)o1 793198032 SWONUAYPYLKKIW-INIZCTEOSA-N 434.493 2.250 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)=NO1 798852276 XDTJNSNJQGDDRH-PKOBYXMFSA-N 445.495 2.204 30 10 IEEE COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802417578 UDYVOFBGTKVFJE-UHFFFAOYSA-N 433.516 2.405 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)CC1 809569333 XWFJCOALJCPZTE-ITGJCUMNSA-N 447.624 2.448 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 810738662 ZAJNNZOLBRUJIO-ORFWMRMCSA-N 448.519 2.044 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812431823 QEWUGBZBOTVIMW-IXDOHACOSA-N 434.541 2.361 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 815555640 DNZHLDFFUICTAH-DYTRJAOYSA-N 443.891 2.340 30 10 IEEE Cc1cc(-c2nc(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)no2)ncc1C#N 904258051 AROHFLWHLBAXNU-UHFFFAOYSA-N 429.440 2.291 30 10 IEEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1 1083956022 ANKXZYCDEIKGGA-UHFFFAOYSA-N 442.524 2.052 30 10 IEEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1124239810 AIFPSODWYWZDMQ-RVAQLADHSA-N 432.498 2.285 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cnc(C(N)=O)s1 1133855058 NNJWDLLPGXPWLZ-UHFFFAOYSA-N 425.264 2.292 30 10 IEEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 1134490679 WKWHOOCODCMIID-QLVMHMETSA-N 435.546 2.307 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1134996690 QCRPIWODUPBFJV-RYRKJORJSA-N 425.432 2.209 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CCCF)CC2)cc1[N+](=O)[O-] 1142963603 KPCUANGHHUDWTI-UHFFFAOYSA-N 444.467 2.498 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@H](O)[C@@H](CO)C2)nnc1-c1ccc(Cl)cc1Cl 1161334853 ALGNNTDQOQQNKQ-ABAIWWIYSA-N 443.356 2.342 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 1161640869 LHFSNRMEVLYAAP-JOCHJYFZSA-N 426.494 2.401 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1162223058 BUKBWVWXKODVBE-FVGNFYTDSA-N 440.500 2.386 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](c3ccc(Cl)cc3)C2)cc1 1168731968 VMXPVWXUNDXCQE-IBGZPJMESA-N 432.933 2.319 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 1170943231 QHDQREIHWQVFIZ-GHTZIAJQSA-N 425.554 2.096 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1 1177217097 ZSIZXJMEKPOQAG-QPPBQGQZSA-N 437.565 2.192 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1286348510 KQVGEDFELWWMQX-SFHVURJKSA-N 447.543 2.193 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCN(C)C1 1286458308 PTPILZDFKOTPQD-DEOSSOPVSA-N 434.519 2.109 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(Cc3cccnc3)n2CC(F)(F)F)n1 1286472512 YUJVURVJMOZEGY-UHFFFAOYSA-N 433.438 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCOC2)CC1 1286489595 YSMYFWVIHLGSOO-QGZVFWFLSA-N 425.508 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](OCC)C(C)C 1286516955 OAGIQMIVYXCFSH-SQGPQFPESA-N 425.599 2.332 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286611191 GLUPTBFWJYRTFY-LJQANCHMSA-N 432.569 2.450 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](COC)C1 1286709554 XNFYECFNCMBLFF-GOSISDBHSA-N 430.505 2.161 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286823847 QSDVNECSTJQVPO-HUUCEWRRSA-N 431.628 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1286824997 KUJZCQOJPQKGBH-ZWOKBUDYSA-N 426.583 2.156 30 10 IEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1287908163 IFJZRNBLJKEOBB-GOSISDBHSA-N 439.564 2.126 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1294976160 KNXAUQUSEVPVDX-LJQANCHMSA-N 445.564 2.303 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1295608150 LVSRZIPOVPZDAX-FTRWYGJKSA-N 430.567 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(SC)CCOCC1 1300558801 CEIHJSRTPWXTHD-QFIPXVFZSA-N 432.590 2.305 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS1 1300663654 GRCKXKHSMPGXHY-INIZCTEOSA-N 448.618 2.220 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCc2nccn2C1 1300673189 HEZRJIQCKOORHU-KRWDZBQOSA-N 425.562 2.179 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300765500 GCAGCXNCOOVVNU-SFHVURJKSA-N 448.614 2.257 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)OC)CC1 1300895460 SGTVOZDVPOOBGQ-HAGHYFMRSA-N 448.564 2.373 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301501360 VHIIOBCNHLFCES-OAHLLOKOSA-N 446.939 2.203 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1301620498 GFBBHFSLOMMMIZ-GOSISDBHSA-N 445.589 2.306 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1301703160 ACTVRBJZYRDSJD-HSZRJFAPSA-N 438.532 2.356 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1 1306245421 HQMKXKBBWOEROF-LJQANCHMSA-N 430.516 2.429 30 10 IEEE CC(=O)N[C@H](CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F 1306892400 DROBBGKFWGZCRE-LJQANCHMSA-N 445.422 2.436 30 10 IEEE C#Cc1ccc(S(=O)(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)cc1 1309873755 KLGKXJIHUAWWAH-QGZVFWFLSA-N 448.541 2.279 30 10 IEEE C=CCOc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 1312674240 AIBGJLHPCBDEMQ-UHFFFAOYSA-N 429.542 2.486 30 10 IEEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cn1 1313672522 FLEYVYNCJHOYJF-FQEVSTJZSA-N 444.543 2.418 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@H](OCCOC)C3)n2Cc2ccc(C#N)o2)CCOC1 1314132565 XQJADLLCAMOZQE-GCJKJVERSA-N 445.520 2.075 30 10 IEEE C=CCN(C(=O)[C@H]1CCCS1(=O)=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1351512019 NEPJZMUMVKWTJM-MRXNPFEDSA-N 440.568 2.310 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1358933918 ISJFIDNLQUUVAM-INIZCTEOSA-N 444.561 2.398 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCN2CCC)CC1 1359027911 ACSXTFZHQAXUGI-OAQYLSRUSA-N 443.640 2.216 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1359033890 VCGAXWFDCBJAGJ-UHFFFAOYSA-N 444.543 2.237 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1359047649 OHTGSFGACXKUDO-ICSRJNTNSA-N 431.581 2.376 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCO[C@H]2CCCC[C@H]2C)CC1 1359047650 OHTGSFGACXKUDO-QUCCMNQESA-N 431.581 2.376 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)c1ccccc1 1359238841 XZEXTLBPNSAISM-UHFFFAOYSA-N 443.529 2.492 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccccc2O[C@H](C)C1 1359291022 BLIGMESKYFHFIG-MRXNPFEDSA-N 447.499 2.015 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1359929625 KUXVNPBFWYVXPW-IBGZPJMESA-N 434.610 2.208 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nc2c(s1)CCCC2 1360247892 HQQZCIJZSHZAQY-HNNXBMFYSA-N 443.577 2.113 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2ccccc2Cl)s1 1447365985 DCXUEISBZBDVRM-SFHVURJKSA-N 428.963 2.432 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1Cc2ccc(C#N)cc2C1 1452395670 AEXIBFISCSAOPY-UHFFFAOYSA-N 449.536 2.483 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CC(=O)OC)c3ccccc32)s1 1455092761 JEVZQSJGHZESLY-CQSZACIVSA-N 434.539 2.448 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1462457153 HWOSYBCQXLLTLP-DHLKQENFSA-N 428.492 2.271 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccc(Cl)c(Cl)c1 1463162274 ATMQLDHERBLSFK-KPZWWZAWSA-N 439.324 2.498 30 10 IEEE C[C@]1(CO)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c2ccccc2O1 1473695374 MRTYBAHIOXGZQO-ZJSXRUAMSA-N 438.503 2.185 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCOCCCO)n1 1492756634 ICACWWGEFUTHNO-YADHBBJMSA-N 449.559 2.282 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(C)COCCO1 1499145144 COVOPCDLTHTADN-OAQYLSRUSA-N 430.940 2.498 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCCC(=O)N(C)C 1499151645 BPXARPLBKZGMOC-UHFFFAOYSA-N 446.559 2.455 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)C#N)ncn1 1503832151 VEWJRJBDUHQHLW-YESZJQIVSA-N 425.541 2.226 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(O)CC1 1504967984 OVVQEIBJNZNWAF-QGZVFWFLSA-N 441.532 2.446 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC(F)F 1507601014 MSLAMRSHHOBIHC-NSHDSACASA-N 447.895 2.261 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCC2)CC1 1507718169 MFMOYNAEXCRYFK-UHFFFAOYSA-N 433.354 2.096 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1507730488 QUJGSKVEVKPNPO-UHFFFAOYSA-N 427.549 2.306 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OC)C1 1507747277 GIQHRHHHBQXXQB-KRWDZBQOSA-N 434.587 2.330 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\c2ccccc2)CC1 1507884098 DRRJYADIAUKMEP-QKWWCAPFSA-N 443.573 2.481 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507912303 SWUWIJAGNLYKIA-UHFFFAOYSA-N 440.548 2.376 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1507916673 SQYJXQCSEJKQRS-KRWDZBQOSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1507964472 AFGLQROUMILWRQ-SFHVURJKSA-N 427.553 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccccc2)CC1 1508080228 MJIAWSIRCORSMX-UHFFFAOYSA-N 431.544 2.355 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1508080831 DWNRHTJUWXKLGG-HXUWFJFHSA-N 434.500 2.229 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1508086155 LXVISZSGXRAANZ-SFHVURJKSA-N 444.511 2.025 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCCCN2CCOCC2)n1 1511693320 GDAURSNFBQOKSA-UHFFFAOYSA-N 440.596 2.382 30 10 IEEE CCN(CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1515576678 HCCQXKFWJFQGGI-OAHLLOKOSA-N 436.358 2.496 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)C(F)(F)F 1517785436 ALLXGBAZHRCEBN-BRWVUGGUSA-N 448.449 2.499 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1519160350 VASDTTPBSUOIFW-HSZRJFAPSA-N 433.516 2.194 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCCC1=O 1519276315 HZEOHYMIKCMGCV-UTKZUKDTSA-N 436.532 2.237 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1521154677 HYOBKCMIOKSCFW-HNNXBMFYSA-N 447.341 2.018 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1527040043 FUVUBTJWKPUCKX-VWLOTQADSA-N 445.523 2.106 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CCO[C@@](C)(C#N)C3)c2C(F)F)C1 1536619267 NENONJKYDHCQGL-BUXKBTBVSA-N 440.451 2.152 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccn1C(F)F 1538983492 SXQPRSQGVVVPPT-CYBMUJFWSA-N 434.472 2.446 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1539117979 YVPSTSXHMNCXOV-GOSISDBHSA-N 435.532 2.201 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539202724 KLLANDLSDXHRER-WMZOPIPTSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1539272858 FFWRQPCSOVDSDZ-QHCPKHFHSA-N 444.583 2.038 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3ncccc3c2)CC1 1539429618 APLDJEGWYMKJRV-IBGZPJMESA-N 434.544 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccn(-c3ccc(F)cc3)n2)CC1 1539481803 FYJPTSGJTFTMMA-UHFFFAOYSA-N 449.534 2.374 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cnnn2)C1 1540894297 UPZFBPRICIWRST-SFHVURJKSA-N 428.928 2.380 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2Cl)C1 1540895548 VATJHUYBIJKTDF-INIZCTEOSA-N 446.939 2.309 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1CCOCC1 1541455170 PKVXDGKEUWIVHC-UHFFFAOYSA-N 439.564 2.122 30 10 IEEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)(C#N)CC2)n1 1554351353 PNRPILXUXQBNIK-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1554524847 XRLRARVRZINIFR-IBGZPJMESA-N 437.500 2.465 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1555845264 HGTXYLTXTNVNAA-PBHICJAKSA-N 435.575 2.104 30 10 IEEE C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556317674 INCRHKJKBUUHRP-HNNXBMFYSA-N 431.489 2.415 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)C1=O 1556383457 RFONRLPXHSTKML-HXOBKFHXSA-N 435.565 2.164 30 10 IEEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1559944601 SIUNRNFBBGFUQI-NRFANRHFSA-N 442.445 2.277 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C)c1cc[nH]n1 1570575862 MHTWGDTWYDPXCA-HNNXBMFYSA-N 436.509 2.197 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 1587809039 XSSIOONTVJXJLS-MJGOQNOKSA-N 430.578 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1588166533 ILJVZASTXOVFGP-UHFFFAOYSA-N 438.551 2.095 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1589514988 KMFWGJSQLFYXFF-MJGOQNOKSA-N 431.562 2.335 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1595297364 PHDJVKJIRRYHLT-QGZVFWFLSA-N 426.521 2.124 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 1595569206 BZBUVXMQDHYWRS-UHFFFAOYSA-N 426.565 2.122 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)[C@H](C)C1 1596183567 IBSRKFNCXZJVRQ-QGZVFWFLSA-N 437.548 2.036 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1598201940 CVXNMBMSOLOYPJ-RDPSFJRHSA-N 438.576 2.382 30 10 IEEE COc1ccccc1N1CC[C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1611044456 YWTJGZNSEZPOKX-OAHLLOKOSA-N 431.489 2.388 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCS1 1614261348 AQHWJSGYVCVJGY-OALUTQOASA-N 429.546 2.476 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 1616735332 VGXCBZUJFQGKCD-UHFFFAOYSA-N 426.922 2.297 30 10 IEEE C[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 1617903321 RTHUJGQRSHUMHK-LBPRGKRZSA-N 436.331 2.408 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1618780047 QULXPWQIPJIJEI-SFHVURJKSA-N 426.521 2.116 30 10 IEEE CO[C@@H](C)c1nc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cs1 1618927424 ANTADPQKODRJLS-WMLDXEAASA-N 425.518 2.205 30 10 IEEE COCCCN(C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1619837805 MNKPCVZTSYIATD-UHFFFAOYSA-N 436.564 2.225 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 1624134594 KCPFPKNEPVPLRH-JKSUJKDBSA-N 430.977 2.081 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cccnc1Oc1cccc(F)c1)c1cc[nH]n1 1624613653 OYADXMRDSGMRDD-UHFFFAOYSA-N 441.419 2.336 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 1625623590 LTEJVXNWBSTJMR-KHPPLWFESA-N 429.517 2.367 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC[C@H]2Cc2ccccc2Br)c(=O)nc1O 1626833555 BNSVBQKSXJODBZ-HNNXBMFYSA-N 431.290 2.207 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 1628662455 MNKSGBHFLGJPND-NQIIRXRSSA-N 433.464 2.139 30 10 IEEE N#CC[C@H]1CCCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1629174601 IMRIDMPSYQWQJO-QGZVFWFLSA-N 435.546 2.449 30 10 IEEE C=CC[C@]1(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)CCCN1C(=O)OC(C)(C)C 1635005867 FRFGAPVXSCRQRW-WZONZLPQSA-N 434.581 2.144 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccccc3S(=O)(=O)C(F)F)C2=O)cc1 1635701016 HYSVWCLSHKBLPU-QGZVFWFLSA-N 447.463 2.014 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1636323882 LZBAYKIJQUKSIY-FPOVZHCZSA-N 429.542 2.447 30 10 IEEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1636391809 XUUZQFQBLJDWJT-YVEFUNNKSA-N 441.431 2.251 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1637518315 AXGKSXULMHJJOX-DLBZAZTESA-N 441.594 2.244 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 1638066084 BZYMXDCXUQDEJX-DEOSSOPVSA-N 425.529 2.293 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)c3ccccc3OCC#N)CC2)C1 1639931258 BVUPQKNNLJUUKE-MRXNPFEDSA-N 427.501 2.384 30 10 IEEE C=CCC1(C(=O)N2CCN(c3ncc(I)cn3)CC2)CCOCC1 1643192670 NFCFMMKSRRJCNW-UHFFFAOYSA-N 442.301 2.103 30 10 IEEE COC(=O)[C@@](C)(Cn1cccn1)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1648560186 DUAOECCLEAMRAG-JOCHJYFZSA-N 426.521 2.448 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1649011513 KPUBBQYMCQAWDJ-UHFFFAOYSA-N 449.460 2.164 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1649035694 IXIHNHSIMMMQMZ-DOMZBBRYSA-N 436.452 2.386 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](Cc1ccccc1)c1nccn1C 1674097615 IATPIYQEURBKBM-PKOBYXMFSA-N 430.516 2.286 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@@H]2C)c1 1689870314 JVWOWRDLYZSLJD-HKUYNNGSSA-N 445.527 2.464 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689919175 FNUWBBWOPPLWIM-KRWDZBQOSA-N 431.924 2.362 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1)C1CC1 1690535913 KAEDKKJNWDJHSN-UHFFFAOYSA-N 438.532 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCSC2)C1 1690700602 VHPSNMIXVJCSGT-BRWVUGGUSA-N 426.608 2.105 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690717750 PNZFRPQGUQZPHS-APWZRJJASA-N 429.546 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCO[C@H](C)C1 1690725367 NRQWSEBXLKNLHF-QGZVFWFLSA-N 434.562 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(CC)CC2)nnc1[C@]1(OCC)CCOC1 1690731633 OVJXORNCAOKSQL-FQEVSTJZSA-N 426.583 2.157 30 10 IEEE CCCN1CCC(N(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1695375561 FXMBKVKMEATFJZ-QURGRASLSA-N 441.580 2.068 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705569396 GUYFUOQQXSNBFT-QGZVFWFLSA-N 448.618 2.040 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1(N(C)C)CCOCC1 1705617948 NERKJFQGPPECPY-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705725178 MZBSMKHAEACBNP-RTBURBONSA-N 430.597 2.318 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705729150 MXJHUIQVPDFRON-QFIPXVFZSA-N 431.512 2.246 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1705736993 HROFGEGAZNOOLU-CQSZACIVSA-N 434.484 2.472 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1706068499 LQONFNPXFDPGNM-SJLPKXTDSA-N 447.561 2.140 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2C[C@@H](C)O[C@H](C)C2)CCOC1 1706679991 NYRGRPLFERMXJW-VALFRTSSSA-N 433.553 2.251 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)cs1 1707761406 OVYOMXUBTNTTPD-RBUKOAKNSA-N 429.594 2.483 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)s1 1709018326 DVGBNXQGGPURMM-MRXNPFEDSA-N 436.545 2.241 30 10 IEEE CCCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709606821 GCZXFURBUDLJPP-QGZVFWFLSA-N 439.564 2.439 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1722315112 IWUFZIQUWDTSFF-FQEVSTJZSA-N 434.544 2.304 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NCC)CC1 1722326691 UEAZPWRGIAGMLS-UHFFFAOYSA-N 434.342 2.301 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cnccn2)CC1 1722340196 QHFZYZIWNNDQGK-UHFFFAOYSA-N 433.516 2.396 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722382390 BSKAGWKTGQFVBQ-UHFFFAOYSA-N 427.512 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1722395990 BEESMKYQSLBWHC-UHFFFAOYSA-N 428.558 2.422 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(F)cn2)CC1 1722435674 MIQMGPLWGBVYSR-UHFFFAOYSA-N 436.491 2.300 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1722630745 RAKXASRAJUVINR-XUTLUUPISA-N 449.515 2.296 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1722638634 IFPNXHCEUNWODT-UHFFFAOYSA-N 447.499 2.207 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722698404 FZDGWUPTFBBVGO-ZWKOTPCHSA-N 442.539 2.329 30 10 IEEE CC(C)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723524162 XYVQEYVVKKMGHW-MRXNPFEDSA-N 425.537 2.047 30 10 IEEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s1 1726340527 BXZIDZSOIBQJTM-QWHCGFSZSA-N 445.574 2.283 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1729812189 MMOKHWWXFVZCOG-JOCHJYFZSA-N 427.505 2.149 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCCC1(C)C 1730868211 HYYVWBVNHJNIDO-HFJQGTKSSA-N 446.596 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)c(F)c1 1740535491 RIMRCWHHPIYXNB-ROUUACIJSA-N 445.539 2.484 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C2CC2)N(C)C)c1 1740562289 HTNSKYPWJHCNAL-NRFANRHFSA-N 444.543 2.132 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740586117 PDLLCYSMHZPMBQ-DENIHFKCSA-N 435.576 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1740637716 BRWARFOQOIPDSE-VWLOTQADSA-N 444.539 2.299 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnn(C)n1 1740677578 NHLVWQFGCGQECW-UHFFFAOYSA-N 437.870 2.344 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1740685352 MIMXQHNOVKRINI-QGZVFWFLSA-N 433.553 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1740701631 NLKNEJOTHVEJCV-OAQYLSRUSA-N 430.512 2.128 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740760703 KOROPMIYFLSXND-OTWHNJEPSA-N 437.610 2.435 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740793615 UUNVSCOLTJQDLG-WOJBJXKFSA-N 441.532 2.106 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1742061027 MNPYTDYBSYJACY-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1743657758 SRCQFVOZSXUFDK-BOSXTWCSSA-N 438.573 2.438 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@H](C)O1 1745056612 GXCJBXXYWJHDGQ-WMZOPIPTSA-N 426.521 2.257 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1748364671 ALQDWGQYRQOROQ-UHFFFAOYSA-N 426.521 2.246 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cn2)c1 1748690454 RZZOKVMFLKRRJF-UHFFFAOYSA-N 449.490 2.055 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C(C)C)C(C)C 1748784753 SJVBKXRPJVSEEH-UHFFFAOYSA-N 431.610 2.426 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1748998830 BGAUCXVUZCVSDB-UHFFFAOYSA-N 431.500 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2csc(CC)n2)CC1 1749014002 BJFYIVHISKHTPG-QGZVFWFLSA-N 442.589 2.009 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1=CCCOC1 1760100372 ANUGISUEPLBVEW-OAHLLOKOSA-N 428.562 2.351 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1760134824 ZNGRFABFDDINQP-UHFFFAOYSA-N 431.562 2.275 30 10 IEEE C#CCCCn1c(C(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1760145868 WRMYYHKPYDGPKZ-UHFFFAOYSA-N 425.562 2.207 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760188817 DFPHKUDRQRERJH-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1CCN(Cc2cccs2)CC1 1760193603 JVGNKLFBQVKMEM-UHFFFAOYSA-N 438.601 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1Cc1nnnn1CC1CC1 1760220414 IHMKSFCKNDSOCH-UHFFFAOYSA-N 436.470 2.055 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)CC1 1760272940 XKQAPNCHJATJKF-UHFFFAOYSA-N 427.578 2.070 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCOC2)C1 1760359316 FMAHXGXKTQPNCV-OAQYLSRUSA-N 431.562 2.479 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760431107 DUDBCVLVSSCHAR-KRWDZBQOSA-N 443.939 2.042 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760695388 GOFHKJOYRXFZAE-NQIIRXRSSA-N 438.576 2.383 30 10 IEEE CC[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)OC 1764209604 CGAAJJPOSXOKJM-IAGOWNOFSA-N 432.912 2.015 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1765255740 KHPANERHYFMNIG-MXLIYFDZSA-N 439.545 2.198 30 10 IEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1765653293 DNOURGNXFIDNOB-HXUWFJFHSA-N 441.532 2.276 30 10 IEEE CCn1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cccc(C#N)c2)c1=O 1766959408 BYSFIASYMOEDCE-UHFFFAOYSA-N 433.516 2.154 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1770427904 BWXSRRBPJNUIPD-MRXNPFEDSA-N 431.562 2.441 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 1851976746 FMCYXTNDVACUEH-VXGBXAGGSA-N 439.900 2.127 30 10 IEEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)c4cccs4)C3=O)CC2)CC1 1854340378 UWDJAOUUNXDKIF-GOSISDBHSA-N 428.558 2.353 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1cc(OC)c(OC)c(OC)c1 1864330531 UOLOQUCOKIUMAS-QGZVFWFLSA-N 442.516 2.488 30 10 IEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870519533 WAFWORSKZDKZOH-BGYRXZFFSA-N 439.556 2.381 30 10 IEEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873660799 CSTDXUSCJUFNCE-UHFFFAOYSA-N 449.559 2.050 30 10 IEEE CCCOC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1873920267 GYWGGIBWDBLXNS-UHFFFAOYSA-N 428.514 2.437 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccn1C 1874434622 OGVGRNPWPKHJTQ-LSHDLFTRSA-N 436.501 2.076 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)c(OC)c1 1874506249 UIQDXBUIAYUOTI-FSJBWODESA-N 441.513 2.429 30 10 IEEE COc1ccc2c(c1)CC[C@@H](C(=O)N1CCC(OCC#CCN3CCN(C)CC3)CC1)C2 1889405425 JMEGNQNOIVJYSJ-HSZRJFAPSA-N 439.600 2.059 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC(C)(C)S(C)(=O)=O 1901324891 BPHPEZFFEZYCHV-RTBURBONSA-N 437.606 2.166 30 10 IEEE CC(C)(C#CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)NC(=O)OC(C)(C)C 2023918663 WOKXIFZMOUGTHF-CVEARBPZSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C1(O)CCC1 2141666203 VMTBOVSPAOEORU-INIZCTEOSA-N 447.341 2.128 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cccc(C#N)n1 2195274933 KDEFZJNTUDCRHV-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE N#Cc1cccc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1F 2195348336 JYFCPZDSWXLIER-QGZVFWFLSA-N 434.445 2.382 30 10 IEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247910306 KPVRVSPOZNBOQV-SSEXGKCCSA-N 442.343 2.342 30 10 IEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255369148 VMGJTCGAGJSHFL-CVEARBPZSA-N 433.358 2.499 30 10 IEEE COCCCCN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255612703 UVKUKCGQJFIPFQ-UHFFFAOYSA-N 428.342 2.183 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255707417 WBGRKNFOEBAAAW-AAEUAGOBSA-N 430.232 2.250 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255813099 ZWQDGYJMFGYXSV-MNOVXSKESA-N 447.288 2.114 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)co2)OC1(C)C 2255815726 RXEUALKINKHARH-IBGZPJMESA-N 426.322 2.210 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1(CNC(=O)OC(C)(C)C)CCC1 2255827104 UZVXDSXYTDEKJT-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]1NC(=O)C(F)(F)F 2255845471 BXTIRVPXFXUTNR-NEPJUHHUSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258958184 FIGXIFMPLAJKSH-IRXDYDNUSA-N 436.358 2.447 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)CO1 2267008260 DIZGYVGACOTSFM-OAHLLOKOSA-N 447.341 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267135532 DJTBRUHGIIBXED-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)n1 2267148279 XKSOKJNBFVDIIK-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 2267159462 QXEKCLYOCAJDNX-IEBWSBKVSA-N 438.381 2.421 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2267172053 SAKNMUWKZDLPIB-GJZGRUSLSA-N 443.353 2.284 30 10 IEEE CCn1cc(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267184250 UAIPQSYHYQQBNK-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267224137 KMIRMYJGBQSTGN-HWWDLCQESA-N 443.353 2.318 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2267493299 HXCJIVUOPSXEKQ-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE Cn1cc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502161 JRYGIHYDBQHRTF-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2271961887 SFVMFTARGCUJFZ-GJZGRUSLSA-N 448.373 2.235 30 10 IEEE COc1[nH]c(=NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317502615 CVIRLRVTRDIJOU-HNNXBMFYSA-N 431.342 2.399 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccco1 2330793180 HYMFLVZOIZLLLF-CQSZACIVSA-N 426.502 2.359 30 10 IEEE C=CCn1c(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)nnc1C(F)(F)F 20840155 CMTMRTKUFTVACN-UHFFFAOYSA-N 445.471 2.001 30 10 IEEE COCCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccc(C#N)cc1 63754105 WIWOBDKKVQUJON-UHFFFAOYSA-N 426.542 2.053 30 10 IEEE N#Cc1c(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccco2)nn(-c2ccccc2)c1N 106248873 HUHPHPVZVQDRPC-LJQANCHMSA-N 432.484 2.273 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1cccc(O)c1 170262704 CUDRFCGPAYPQST-OAQYLSRUSA-N 437.496 2.361 30 10 IEEE Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(C#N)c(Br)c3)C2)n(C)n1 433352723 JWYAPQXCQUWXHL-CQSZACIVSA-N 438.351 2.310 30 10 IEEE Cc1cc2c(N3CCN([C@H]4CC(=O)N(c5ccc(C#N)cc5)C4=O)CC3)ncnc2s1 435922156 IDJVHOPQTKSYBV-SFHVURJKSA-N 432.509 2.326 30 10 IEEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1=O 437823104 QHJGUKXBEOFQAE-BYCMXARLSA-N 428.543 2.833 30 10 IEEE Cn1cc([C@@H](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C(F)(F)F)cn1 447374639 QHSACKAKOODTEP-RHSMWYFYSA-N 426.468 2.084 30 10 IEEE CCc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnc2c1c(=O)n(C)c(=O)n2C 464418207 ADBRZPPKTCFBLR-GFCCVEGCSA-N 431.374 2.098 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 471683618 WPSAAKHTEJLTQB-UHFFFAOYSA-N 426.420 2.062 30 10 IEEE COc1ccnc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n1 497997911 MUXCSPAJCCHNIB-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE N#Cc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 502466859 IJSFDMNKNUNEPK-UHFFFAOYSA-N 431.473 2.326 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC(C)(C#N)CC3)cc2)C[C@@H](C)O1 506042464 UDDQESIJKBEWQP-IAGOWNOFSA-N 434.562 2.049 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 508998879 FOZSPQUQGQFZHK-UHFFFAOYSA-N 442.520 2.395 30 10 IEEE COc1cccc([C@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C2CC2)c1 537356976 MSGZNIOGHFFNBK-GMAHTHKFSA-N 445.523 2.363 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 545800080 BYAFCWJWQOPLLP-UHFFFAOYSA-N 443.515 2.200 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 553539823 XSJBYCISEOEHTC-INIZCTEOSA-N 440.437 2.391 30 10 IEEE COc1ccc(C(=O)N(C)c2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCOCC1 608797932 BJRWTSXMGASICM-UHFFFAOYSA-N 433.461 2.003 30 10 IEEE COc1cccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 726107088 YKRCFNPKFPLVPN-FNWSHLARSA-N 439.541 2.197 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727417354 CHOHLRGZRCIVMB-UHFFFAOYSA-N 442.500 2.282 30 10 IEEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730137692 HHHKKYSXGWBCIJ-MRXNPFEDSA-N 426.970 2.376 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2ccccn2)cn1 730145049 VZZLAQYNHCGBSJ-CRAIPNDOSA-N 443.577 2.059 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 732441424 HUWHOXDEBZDADY-VXPUYCOJSA-N 431.924 2.130 30 10 IEEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1-c1nnc2n1CCCCC2 732706193 KYJVQVNSDQNWRU-GOSISDBHSA-N 447.543 2.117 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H](C)c1cc2ccccc2o1 741340779 HERSSTIKNYMGIH-LCQOSFJGSA-N 425.441 2.458 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc(Br)cn2)nn1 750421238 JFSOMDZPUKQWLY-PIGZYNQJSA-N 435.282 2.025 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)c1ccc(C#N)cc1 750426109 OVMVUXGIGDEWTK-MRXNPFEDSA-N 442.229 2.368 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCCO2)c1 756079100 GFSAAKJRCGVUDY-XXBNENTESA-N 442.585 2.236 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)C1 757597800 UCCKUBPNCTYDEN-ZYSHUDEJSA-N 436.516 2.474 30 10 IEEE C#CCN(C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)[C@H]1CCS(=O)(=O)C1 757653689 GRZAELYFKIGNBA-HNNXBMFYSA-N 432.523 2.272 30 10 IEEE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(c3cccc(C#N)n3)CC2)c1 760552300 QIXMEKXWYYFONT-UHFFFAOYSA-N 435.528 2.016 30 10 IEEE C[C@H](CC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 760968885 XLJODXOSJYKNMN-CVEARBPZSA-N 449.573 2.474 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2cc(C(=O)O)sc2Br)cc1 761310120 VGPUUWVPSAROCA-UHFFFAOYSA-N 431.289 2.438 30 10 IEEE COc1ccc(OCc2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 761590240 RGXCEDRHUUWOCU-UHFFFAOYSA-N 428.470 2.329 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(Cc3ccccc3)c2=O)cn1 772274131 BHKAPBPDYCHEGW-UHFFFAOYSA-N 444.491 2.217 30 10 IEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 802563003 GRQXCKKQJJYGKZ-RBUKOAKNSA-N 446.596 2.490 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C[C@H]1CCCCO1 811726637 CSDWCDDWSDEKLJ-MRXNPFEDSA-N 444.438 2.396 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nnc(O)c4ccccc34)n2CC)n1 812028254 FQYMMONCLIZZCN-UHFFFAOYSA-N 432.488 2.097 30 10 IEEE N#CC1(c2ccc(CNc3ccc(S(=O)(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)cc2)CC1 863993082 KWTIZIFGAMRWJZ-LJQANCHMSA-N 445.566 2.319 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 916921905 SJGDNWFWQJFDNI-AZUAARDMSA-N 449.507 2.433 30 10 IEEE N#Cc1c(CCCNC(=O)[C@]2(C3CCCC3)CCNC2=O)nn(-c2ccc(F)cc2)c1N 1136200102 QKGYRABDIKKLBH-HSZRJFAPSA-N 438.507 2.211 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCc3ccnc(C#N)c3)ccc2Cl)C[C@@H](C)O1 1139854527 ADKHNCMTHJZXOS-ZIAGYGMSSA-N 448.932 2.335 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCc4nc(N)sc4C3)C2)C1 1140528464 FQDYVJDCAZLUKL-JYWCWKAFSA-N 431.562 2.486 30 10 IEEE CC(=O)N[C@@H](CCC(C)C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141567992 YZLQGDRCECLFQC-FQEVSTJZSA-N 428.512 2.455 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1151573913 MUWDMZORPQZQLD-ZDUSSCGKSA-N 442.843 2.174 30 10 IEEE Cc1c(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc(Br)cc1S(N)(=O)=O 1155210234 PIXNRCIOCYBHNQ-UHFFFAOYSA-N 444.257 2.485 30 10 IEEE CCOC(=O)[C@H]1c2ccoc2CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1174562566 FJVBFRJRAUPBFW-LAUBAEHRSA-N 442.541 2.212 30 10 IEEE COC(=O)[C@]1(NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC[C@H](C)c2ccccc21 1176947710 YVAMMJXUDWNCRL-XZOYJPPVSA-N 426.561 2.234 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1286272024 YJUWHBJFSADCIQ-AZYRPFHASA-N 436.541 2.310 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1286348535 LCQQUKWSOIJJLB-KRWDZBQOSA-N 448.527 2.478 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1286483945 FHSXFFZZSRYBMD-OAQYLSRUSA-N 426.540 2.092 30 10 IEEE C=C(C)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286599124 LIEKHDSTIPIQDO-FGZHOGPDSA-N 430.553 2.380 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286607997 WTSKVYUABYQACE-UHFFFAOYSA-N 440.548 2.008 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286612104 SPNYHOFMQODING-IBGZPJMESA-N 432.569 2.103 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC)[C@@H](C)C1 1286707908 KQFSDCKMGSFAJY-SFHVURJKSA-N 447.605 2.472 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286758795 VDUFKMMIEZWFHA-INDMIFKZSA-N 435.594 2.226 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1286783535 UTJXTQITVOWYGV-UHFFFAOYSA-N 440.939 2.409 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1286840549 HCIUCYVDCUJNKW-HSZRJFAPSA-N 438.532 2.069 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1296250779 DYXLVFFJENXKRR-FCHUYYIVSA-N 432.569 2.223 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCOC3)n1 1297350876 YVVMRBNHERIIMB-ZCYQVOJMSA-N 436.556 2.030 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1 1299401692 DJYOWJDTFZYNSQ-ROUUACIJSA-N 425.489 2.155 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1300325393 YTEQCODMQFKNKC-VQTJNVASSA-N 440.592 2.350 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300429077 ZWAJQCKJPNZQCZ-HKUYNNGSSA-N 433.553 2.473 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1300432756 ZWZGLMFKIKKQKC-XMMPIXPASA-N 445.608 2.423 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(F)c1 1300539099 YCCPMPUQPOXDKC-QGZVFWFLSA-N 428.533 2.370 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccn(CC)c1=O 1300650154 YYCIHFMPKCMXND-HXUWFJFHSA-N 448.502 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 1300879696 FASFNCLOUMVGJS-RDJZCZTQSA-N 437.470 2.401 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@H]1F 1301100706 ROAAGBHFFYLVSD-HZPDHXFCSA-N 443.472 2.200 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1301199826 VRLRFBRZQUTHTH-UHFFFAOYSA-N 448.531 2.273 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301222402 WJYIKUJTVOHRGK-CQSZACIVSA-N 434.484 2.494 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1301474748 HFNGHOHETRSDTL-AWEZNQCLSA-N 432.475 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1301497407 VTZQMRNVHAAIAY-INIZCTEOSA-N 435.532 2.224 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(CC)c2)C1 1301566372 PNVGJTQRHWXQGT-KRWDZBQOSA-N 441.561 2.316 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1c(C)coc1C 1302092313 IJTPAJSEEDABFV-IEBWSBKVSA-N 428.537 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1 1302373219 CTOSVEJMNQZJLO-QFIPXVFZSA-N 429.517 2.442 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1303567724 XVLURUXIZMSTOP-JOCHJYFZSA-N 440.504 2.185 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1306245568 PXUAULNIQBFTMZ-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE C=CCOc1c(Cl)cc(CN(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 1308659361 QQUSQAISFPFLFZ-OAHLLOKOSA-N 430.954 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1312829591 HBPALKIDJYSIMW-MSOLQXFVSA-N 444.536 2.175 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313952803 HJHHKPUZSVNPDA-PGRDOPGGSA-N 426.544 2.056 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1315422811 DYLJZADJMHDKOU-LEWJYISDSA-N 440.548 2.039 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1315626800 XHQNBIGQWDPDIM-VGOFRKELSA-N 426.496 2.234 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1316241373 YIINNMAKYWQZLA-KKIUXKEOSA-N 443.573 2.360 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358892728 GAYYFNMTYXDPCR-FQEVSTJZSA-N 444.587 2.307 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1358920141 SZQHSRBSMSMZHZ-CRAIPNDOSA-N 435.525 2.019 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCNS(C)(=O)=O 1358938684 HSXBOMFHCHQJMA-CQSZACIVSA-N 425.942 2.080 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1358961992 ICKSRCMRQZEIGP-IBGZPJMESA-N 444.605 2.007 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359049122 ILEXYTBXOZWWFR-GGPKGHCWSA-N 432.638 2.147 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359157479 KIWJQYKRLXBLSW-QGZVFWFLSA-N 433.944 2.262 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O)C1CC1 1359251804 WLHJJKWGUPJHEZ-KRWDZBQOSA-N 435.594 2.128 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359296098 WZRQAGBIOGOSGP-LHSJRXKWSA-N 449.914 2.424 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CN(Cc4ccccc4C)CCO3)CC2)o1 1438593167 IRTVERQLIXUYOI-NRFANRHFSA-N 437.544 2.397 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1Br 1440826372 FYXBSMZYRBOBLM-UHFFFAOYSA-N 441.329 2.395 30 10 IEEE Cn1ncc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1I 1462126154 HODWJZVJTLTLRW-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 1466609587 RMVOFRPUICVEMH-IBGZPJMESA-N 447.538 2.188 30 10 IEEE N#Cc1cn(CC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)c(=O)nc1O 1467287963 BVJFENUJEPZJOM-HNNXBMFYSA-N 435.253 2.380 30 10 IEEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1 1471823401 XBVQIGWXGFGTFG-UHFFFAOYSA-N 448.463 2.135 30 10 IEEE C#CCN(CC(=O)N=[S@@](C)(=O)N(C)C)[C@@H]1CCOc2ccc(Br)cc21 1473167804 KTIQVJFBFCCATQ-SGANQWHYSA-N 428.352 2.309 30 10 IEEE COc1ccc(CNC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 1479184265 PKRKQIIBPQKWQU-UHFFFAOYSA-N 428.514 2.303 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C 1502262803 DUGCBDZVGBMRHA-IRXDYDNUSA-N 449.563 2.317 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507632216 JXTNBRFCAYAQNU-NRFANRHFSA-N 441.601 2.282 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507634708 LPEZJCTUQOPYFA-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](OC)C(C)(C)C 1507708748 MAGPROWHSLWYHX-IBGZPJMESA-N 438.536 2.068 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507741353 QDALCJMQGWVSNF-YYDVJCTNSA-N 429.565 2.443 30 10 IEEE C=C(C)COCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1507849084 UXHQWDPLOYVIKM-AZUAARDMSA-N 432.613 2.157 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@H]1CC 1507931198 WZXSCIGEXBSGRJ-QGZVFWFLSA-N 445.593 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1508076856 IBWHFWUAPRYXPD-UHFFFAOYSA-N 448.527 2.365 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCc3ccccc32)C1 1508109388 QYKNFQKVYOCLHG-WZONZLPQSA-N 425.533 2.032 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)C1 1508128354 ZLLURRQRPXAADJ-ZWKOTPCHSA-N 440.504 2.237 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508580082 DXGFQMPQTSIGGU-QIEZACGCSA-N 428.537 2.010 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1509951142 FNXYWJYTBIDMED-DZGCQCFKSA-N 427.475 2.242 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cnn(C)n1 1510252385 AYGCBTMUWHLIDW-HNAYVOBHSA-N 440.483 2.047 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C#N)o2)CCO1 1518921749 JUGHJEIXKZMECL-SFHVURJKSA-N 439.472 2.327 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539059102 BCQXECRHEPQNLC-QGZVFWFLSA-N 431.562 2.275 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539115441 BMSOEHKFVUPLMP-FQEVSTJZSA-N 435.576 2.195 30 10 IEEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539118620 OZNODQDOGNCTIN-IFXJQAMLSA-N 436.896 2.043 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539202739 KSDIKZVYIHPGFF-AOIWGVFYSA-N 449.621 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C(C)(C)C 1539246805 XKVWFUBLUWWFAU-LJQANCHMSA-N 428.558 2.483 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(C)on1 1539423302 WJJMFUZZQAZBNE-CALCHBBNSA-N 444.536 2.480 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1539467225 PKQMRZPAEBUMTE-CVDCTZTESA-N 429.565 2.096 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1539811849 HOAMKGZWMTVUHE-UHFFFAOYSA-N 442.951 2.177 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540039664 DWDZXNOBCBBLOD-HSZRJFAPSA-N 437.548 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1540869807 XIRKZALBHRCZSC-IAGOWNOFSA-N 449.559 2.459 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1540872587 UHOWTQITFHSNLG-UHFFFAOYSA-N 438.576 2.174 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1540880382 FJEWLUHXQZQAEH-PMACEKPBSA-N 441.532 2.084 30 10 IEEE C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1544421779 UPBLVVFFYJMNJP-ABTBVZAGSA-N 439.578 2.245 30 10 IEEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1546656162 GSJJZXNZTCOCLX-KRWDZBQOSA-N 428.562 2.479 30 10 IEEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)cs1 1555324829 IBTCYEPCEJNHDE-UHFFFAOYSA-N 428.543 2.037 30 10 IEEE O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1559033184 YWRXEGBBVYUWED-CQSZACIVSA-N 425.416 2.083 30 10 IEEE COCCS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1562624227 BACGJZZOOLSHOU-UHFFFAOYSA-N 446.504 2.472 30 10 IEEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1C#N 1565327655 ZHSNEEUTIIKZBU-UHFFFAOYSA-N 434.468 2.361 30 10 IEEE N#Cc1cc(CNC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)ccn1 1568543258 GECUGKHQVMONMY-UHFFFAOYSA-N 426.420 2.347 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 1585058432 RTAKBWBKUGJAHS-SFTDATJTSA-N 431.558 2.423 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1587856119 HMMLNDZNJIPTJP-GOSISDBHSA-N 443.573 2.345 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588065161 VMTNGBRDLVOESQ-ZVDOUQERSA-N 447.649 2.225 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C2CC2)ccc1F 1588139748 QQQGGZSHNQHPKX-SFHVURJKSA-N 426.517 2.318 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1588223974 LPMVKIOGBFURAE-HXUWFJFHSA-N 445.502 2.374 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1588267014 ZTXOEDOQHCJURJ-HKUYNNGSSA-N 436.626 2.145 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(C(C)=O)C1 1588620270 QZDAEXDYOFFDNC-LJQANCHMSA-N 425.533 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nccn2C(F)F)CC1 1588761957 CNUIXGBJYFKALM-UHFFFAOYSA-N 427.459 2.349 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1589662982 FXDKKHSCWBAKBC-DLBZAZTESA-N 443.639 2.299 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1595094815 YYSMXKCKCMTQPA-GHTZIAJQSA-N 449.559 2.014 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@@H]1C 1595234320 OTROKOGNRHEFOR-WZONZLPQSA-N 427.549 2.191 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1595534296 GJLUMFCGQBFRKD-KSFYIVLOSA-N 425.489 2.325 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1595737960 JRMKECCSOQHTFD-GOSISDBHSA-N 443.523 2.071 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 1603045921 LMMLPSCHYWAFLJ-INIZCTEOSA-N 429.473 2.158 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1 1611535311 QRVNBVNMUJMURV-QFIPXVFZSA-N 431.489 2.466 30 10 IEEE CCN(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)c1ccco1 1615372526 DSZSFRZXHXSVKO-FGTMMUONSA-N 448.593 2.452 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C1 1620346793 HZRUEGZGHMZFQP-HXUWFJFHSA-N 444.902 2.138 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 1623494538 MGEWXZHKIGJYAI-IBGZPJMESA-N 446.460 2.160 30 10 IEEE COc1ccccc1C[C@](C)(CO)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1623739976 CPZFZHBVBLBNPP-QVKFZJNVSA-N 431.514 2.496 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(Cc2ccccc2)CC1 1624518507 JJSMOBVZZPSZRG-NRFANRHFSA-N 428.577 2.227 30 10 IEEE CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628306648 SXRIYPCKDDRVSQ-JKSUJKDBSA-N 440.363 2.229 30 10 IEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1)C1CSC1 1629034377 YPAOPQFFDWTMIX-UHFFFAOYSA-N 442.522 2.260 30 10 IEEE Cc1cc(NC(=O)CN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)no1 1629966020 GCKGGHKNNMDXME-FAGJFJLWSA-N 431.493 2.167 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1634564680 GHWHVBPLCHUWFH-RBUKOAKNSA-N 438.981 2.155 30 10 IEEE O=C(N[C@H](CO)CN1CCOCC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1634801425 XOKXIQOEDNSYFH-ZDUSSCGKSA-N 432.336 2.399 30 10 IEEE CN1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 1635474892 FIPFWIPOVADMTH-GOSISDBHSA-N 443.548 2.334 30 10 IEEE Cn1c(=O)n(C)c2cc(NC(=O)COc3cccc(Br)c3C#N)c(O)cc21 1638213877 ASHZKTKRKPBALC-UHFFFAOYSA-N 431.246 2.234 30 10 IEEE C#CCC1(NCC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)CCC1 1648399651 KMFASGXBOXKREU-UHFFFAOYSA-N 437.544 2.400 30 10 IEEE N#Cc1ccc(N2CCC[C@H](N3CCn4ncc(I)c4C3)C2=O)cc1 1648415455 JLKOJZJITPKWMQ-INIZCTEOSA-N 447.280 2.371 30 10 IEEE N#Cc1ccc(N2CC[C@H](N3C[C@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)C2=O)cc1 1656532122 YYKRMPLYURXGNO-HFTRVMKXSA-N 427.448 2.105 30 10 IEEE C#Cc1ccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 1667767976 PDDVSJBFFIPGGQ-UHFFFAOYSA-N 429.498 2.019 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C1CCOCC1 1670502030 DASKMBWAUPWEMC-MRXNPFEDSA-N 442.324 2.246 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1cc(Cl)ccc1I 1670882315 KIULRHPBHQIPQH-UHFFFAOYSA-N 442.706 2.345 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 1681597650 BBQRRXQBZGGVII-XUVXKRRUSA-N 436.597 2.435 30 10 IEEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1682398633 QASYZQIIIMGNCR-SVJMLJPDSA-N 445.541 2.136 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1689887193 RZTWQVPIZGWAKH-IBGZPJMESA-N 426.565 2.262 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC=CO1 1690088363 JHUVNPOHLJQUIR-LPHOPBHVSA-N 447.536 2.360 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1690167989 SINARWFXCFHUOP-UHFFFAOYSA-N 425.562 2.269 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690205870 ACRPXYFFOTYLAD-VGOFRKELSA-N 444.557 2.257 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1690212163 AKABZQHCLFKQLN-LJQANCHMSA-N 437.953 2.052 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@H](C)C1 1690246923 XTMJDZMXOVDIGP-ILOCAZANSA-N 440.635 2.492 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1690520095 JHZILLCZXMYSQZ-UHFFFAOYSA-N 438.301 2.328 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1690526721 CLIHFUJDDGCTRF-LJQANCHMSA-N 445.589 2.038 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](F)C1 1690682671 VWNLVXMCFBISAN-INMHGKMJSA-N 437.541 2.296 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1690694824 WGNVYOPBZRIKGV-MRXNPFEDSA-N 429.496 2.148 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1695590074 QZGISZMYFTXYGY-DEOSSOPVSA-N 449.559 2.182 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CC#N)CC1 1696497888 ZQCIDNMZSHHOPK-UHFFFAOYSA-N 431.566 2.108 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1696990674 NPEYAMUUYHXXDP-WMZHIEFXSA-N 438.532 2.117 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1698189178 GWUKDPSJEHFKFU-SFHVURJKSA-N 440.529 2.128 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@@](C)=O)cc1 1705611784 PERHFJBSZJDMAQ-WJOKGBTCSA-N 439.541 2.392 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCCOC1 1705864150 RYEDYCZWUYUWHO-OAHLLOKOSA-N 437.591 2.489 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705897426 MERQHKIGBQCKMP-OLMNPRSZSA-N 449.939 2.224 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 1705905480 XANLRMUSKDKHBJ-UHFFFAOYSA-N 437.523 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CCCO)CC1 1705934269 HNGWNRGBSHCXDL-UHFFFAOYSA-N 433.578 2.238 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705940152 XDPOZWQTBYIFNL-QGZVFWFLSA-N 432.594 2.025 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)c1 1707221402 UIRIHAJBQZYGPW-SIKLNZKXSA-N 427.505 2.008 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1710880789 CKKIUCIUUAIHAH-INIZCTEOSA-N 447.561 2.167 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710981035 BGDJSDYHYNXMHG-UHFFFAOYSA-N 448.506 2.156 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCOC(F)F)CCO2)c1 1712878752 KQXXCYGPHYYEFQ-IAGOWNOFSA-N 446.458 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCCC2=O)cc1 1722274759 YLZLUAABRCGQNY-SFHVURJKSA-N 434.544 2.143 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722361447 NISSIKQECROMIW-QRQLOZEOSA-N 431.562 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC(O)CC1 1722376113 KUUHESFCQOWVRO-UHFFFAOYSA-N 443.555 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H]1C(=C)C 1722380579 QMNBCNYZXFHEIL-PGRDOPGGSA-N 442.523 2.246 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCN1CCOC[C@@H]1C 1722418655 YDJRCGSLXKQXCK-SFHVURJKSA-N 435.507 2.235 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCCN1CCC[C@H]1CO 1722478796 YOMGFJSFWBLRCS-IBPRQYQWSA-N 445.608 2.231 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1722532384 KMPITMCJHRWHRD-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](COC)O[C@H](C)C1)c1ccccc1 1722539960 FNTKAWVTLQPWOA-QUCCMNQESA-N 425.533 2.354 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3ccnc32)CC1 1722575021 VYRGXRBSTYUSQX-RDJZCZTQSA-N 433.582 2.065 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1722588783 ZKXNMVCZDSLJFW-QGZVFWFLSA-N 437.610 2.231 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1722592313 WYIJSDVOAUKBCG-GOSISDBHSA-N 434.548 2.425 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722740419 VAAFVMOGEFNGPB-SJORKVTESA-N 443.573 2.500 30 10 IEEE Cc1cccc(N(C)c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1724234856 KJELWRPPEKJSCY-XUTLUUPISA-N 449.515 2.117 30 10 IEEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)n1 1725084750 COTHSFMIQWKCJE-INIZCTEOSA-N 428.543 2.253 30 10 IEEE CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCOCC(F)(F)C(F)F 1727540419 XEROMNVSXXCVMV-JTQLQIEISA-N 449.371 2.262 30 10 IEEE CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1729824752 BKHZXOMIFSFEEV-QGZVFWFLSA-N 425.537 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC(=O)NC1CC1 1740651139 ZXQQXWVHVFBYNF-UHFFFAOYSA-N 433.512 2.238 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740921699 FLPBVKCHHPMQET-FQEVSTJZSA-N 447.586 2.087 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740951667 KWZZNFISTZWVOW-IAGOWNOFSA-N 444.584 2.483 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)CC1 1740955240 ZSEUAHBPDCQQLH-OAHLLOKOSA-N 442.589 2.102 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n[nH]1 1742599587 XSNMSCIQHPJTKX-LJQANCHMSA-N 447.547 2.227 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ncn(C)n1 1744107197 HGAMLIFBXAMLAM-MJGOQNOKSA-N 447.547 2.117 30 10 IEEE CN(C)S(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1C1(c2ccccc2)CCC1 1747606711 BUSKFNFGVBPPDH-UHFFFAOYSA-N 442.589 2.379 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@]2(O)CCSC2)c1 1748695147 YTBPNLSRQBYUBA-JOCHJYFZSA-N 427.574 2.401 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1748714321 YLFVKTFYJFXOFV-UHFFFAOYSA-N 447.543 2.147 30 10 IEEE COc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC(F)F 1748810565 GMHKBACLNCDFPE-LSDHHAIUSA-N 435.431 2.169 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1748812726 ZKZCSHVZLBYPNZ-IBGZPJMESA-N 445.589 2.298 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1748814208 AZNNRSPHKUDDAR-WOJBJXKFSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(=O)OC)CC1 1748852666 KRHRSDCXQKNTGN-UHFFFAOYSA-N 445.527 2.068 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1748962676 NWORXVUAFLBGJQ-FQEVSTJZSA-N 435.532 2.196 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCCOC 1749256137 VRXCLSPFRYADAC-UHFFFAOYSA-N 427.958 2.421 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1750048244 MVGJFWJDIZXIGM-FQEVSTJZSA-N 436.520 2.130 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750980818 UURSSSRURCWLEK-QGZVFWFLSA-N 442.955 2.085 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1760187292 CNUZMRPSRGGYGS-MSOLQXFVSA-N 431.587 2.253 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760441793 UXHAKJRHOXDUGR-SIKLNZKXSA-N 437.592 2.219 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(S(C)(=O)=O)CC2)C1 1760540821 PMENJGHJTKGTIA-INIZCTEOSA-N 432.546 2.312 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760567314 WJFIVXVMAIGUQI-FQEVSTJZSA-N 433.603 2.198 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760568196 BMANBURANWEFQT-IAGOWNOFSA-N 441.623 2.053 30 10 IEEE C[C@@H](CN1CCCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1761433188 DWDCSPJBMNOKJA-AZUAARDMSA-N 448.637 2.432 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1762239303 DPFCUQUFJNDWTM-GOTSBHOMSA-N 440.523 2.472 30 10 IEEE CC(C)c1nnc(N2CCN(C3CCC3)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763060390 RGBCEKJUEAJDDR-MBOBHEEDSA-N 441.580 2.239 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)COCCO1 1763740627 FJHMVRPWJPJEHH-VGSWGCGISA-N 425.537 2.190 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1765470393 AGAYSCNHKCGZLP-QFBILLFUSA-N 426.521 2.235 30 10 IEEE CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1766315808 DAXLCPBDKUNZHE-IBGZPJMESA-N 446.577 2.151 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1766760118 MYMXZGJVOOWJBP-NBJZQKORSA-N 443.573 2.359 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1769156621 GQCLOAMEBWROTJ-NRFANRHFSA-N 436.545 2.182 30 10 IEEE Cc1cc(C)n2[nH]c(=NC(=O)C3CCN(c4c(C#N)cnc5ccccc45)CC3)nc2n1 1850555006 FHTVHAAEARQXBS-UHFFFAOYSA-N 426.484 2.438 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(=O)N2C(=O)c2cc(CC#N)ccc2Cl)cc1 1851251670 WXZWSQSQYJGPDO-UHFFFAOYSA-N 433.873 2.393 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)Nc2ncc(C#N)cc2Cl)CC1 1851274851 KTCYXCPTEIYKOV-ZIAGYGMSSA-N 433.896 2.261 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)Nc3nccc(C#N)n3)c2C)C1 1852814173 IZVAPXMNCWNXJI-CYBMUJFWSA-N 435.410 2.383 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)c1 1853827639 BIPJJBHFCXBXQL-FQEVSTJZSA-N 429.542 2.121 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)cc1 1854020839 PXVUQTFLDPRZMV-UHFFFAOYSA-N 425.510 2.113 30 10 IEEE N#CCC(=O)N1C[C@@H](CN2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)CCC1=O 1854357647 RZSJOPLTLHYANJ-CRAIPNDOSA-N 437.949 2.180 30 10 IEEE CCc1cc(O)nc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)n1 1859427933 BETMQVDKFDMIAE-UHFFFAOYSA-N 426.546 2.317 30 10 IEEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N(C)C)cc2)cc1OC 1870098902 YCYFNMRKGMBCNN-UHFFFAOYSA-N 428.474 2.023 30 10 IEEE NC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874402542 AFVGBWCIRMYGSA-SRZZPIQSSA-N 426.458 2.137 30 10 IEEE CCOc1cc(/C=N/n2c(CC)nnc2SCC(N)=O)cc(Br)c1O 1874524761 FJIIUPUAVZNQPM-CNHKJKLMSA-N 428.312 2.167 30 10 IEEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCC#CCN3CCCC3)cc2)c1 1891233210 RHCKCBKHQNTLNJ-UHFFFAOYSA-N 441.553 2.003 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(C)(C)O 2022894288 KUNOKMRPUWXEOE-LHSJRXKWSA-N 440.541 2.012 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]21 2124539051 PTOHBUSHEYHRRR-PMPSAXMXSA-N 444.341 2.360 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1Cc2cccc(C#N)c2C1 2164485921 CSVHAKRNQWOZCJ-NRFANRHFSA-N 427.457 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2247835713 PGVPMHXIAIOXSR-OLZOCXBDSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247921067 IXOMZEUUZMIRGE-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N(CCC(N)=O)Cc3ccccc3)c(F)c2)OC1(C)C 2255655205 JCJPPTYXVOQTBD-UHFFFAOYSA-N 427.285 2.038 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2255852587 GIOMDMKOJHCCFV-UWPRPCKVSA-N 438.330 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267137641 SEYVVBNERMFIRD-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267141709 MCECODHNTONMBI-RCDICMHDSA-N 446.357 2.086 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267185659 YNQGEFBYOJOFFN-CABCVRRESA-N 448.373 2.143 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2267217780 LQEGXMOJEKJEGI-UHFFFAOYSA-N 448.373 2.005 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267273612 OZKSYKSPPQKNRF-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2267494985 ITPUQLJJRQHMHY-FOLVSLTJSA-N 447.316 2.115 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267502160 JQXSVNJVSVRMTO-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267525805 JOPBORMCLVUDTR-FPTDNZKUSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)O1 2268638710 VFLMOVMKRCNLED-JKSUJKDBSA-N 447.341 2.392 30 10 IEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2269042599 RQSUOVORSYZYFF-UHFFFAOYSA-N 441.337 2.233 30 10 IEEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271386539 KLVMSPDMBQZRLL-GOEBONIOSA-N 446.357 2.294 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cc(Cl)ccc1O 2330785728 YPEGCXOWYWEBIA-UHFFFAOYSA-N 439.925 2.447 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)CC1 29710614 SVGZYFZSPFMUBK-UHFFFAOYSA-N 427.570 2.248 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 57830718 YFSKZNKJRUUUPQ-ROUUACIJSA-N 443.548 2.137 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccccc1O 59829743 QOEJYKZUPYSIRW-SRZZPIQSSA-N 442.461 2.173 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCSc2ccccc2Br)CC1 60489978 OKVMVJHMSMAHSX-UHFFFAOYSA-N 426.380 2.378 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118915176 HYRKAAMZBDSJFJ-LCMWKUSWSA-N 434.504 2.322 30 10 IEEE CN1CCC[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C(F)(F)F)cc1 301294836 REELCBKIRFGOEP-RHSMWYFYSA-N 435.450 2.469 30 10 IEEE Cc1nn(C(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 427993280 OCPUSRRNRJSVGI-UHFFFAOYSA-N 429.546 2.028 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 441409573 JJWVZVPTVWDRCW-LJQANCHMSA-N 437.468 2.335 30 10 IEEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446629918 WVLVEIWGGRDGGA-VLOYRQLPSA-N 430.505 2.395 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO2)CC1 461153256 HGHVSJGPNAVVRJ-FQEVSTJZSA-N 449.559 2.281 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 478037626 SSVGMWFWVRKULC-MRXNPFEDSA-N 431.480 2.455 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 486012621 BNRXAHAGSANWMY-JOCHJYFZSA-N 430.508 2.328 30 10 IEEE CSc1nc(O)c(C(=O)NC[C@@H](O)COc2ccccc2Br)cc1C#N 488436526 CHIHIXZISXNJFP-LLVKDONJSA-N 438.303 2.313 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c(OC)c1 497602500 GUROUCQUWYKRQB-CRAIPNDOSA-N 432.542 2.262 30 10 IEEE C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508843949 GTNAOIJYWIAMQK-HXUWFJFHSA-N 425.533 2.256 30 10 IEEE C[C@@H]1CN(Cc2cccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)CCO1 546883305 ITDDKCSJDPADIC-LJQANCHMSA-N 434.544 2.206 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 563911465 SFYFTHFQHIROKS-HSZRJFAPSA-N 429.517 2.364 30 10 IEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)C(C)(C)C1 568668282 SVAUVQSWJZJFMD-UHFFFAOYSA-N 428.518 2.183 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(Cc2nc(C)no2)CC1 574293700 DXLBNZWVCHGAEZ-UHFFFAOYSA-N 437.504 2.306 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)c1 574328662 WDTSBNPTYPCMQV-IBGZPJMESA-N 427.530 2.342 30 10 IEEE N#CC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CCCC1 580500960 GDZOKQLLWOUDPA-SFHVURJKSA-N 437.587 2.257 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(F)cc1 590973402 GVFFYNGBAKWNKS-UHFFFAOYSA-N 442.541 2.222 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)CC1 604180943 OZJUXQNRRNQGLU-OAHLLOKOSA-N 428.455 2.102 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609515489 BDWXHCRIVCFDOG-SFHVURJKSA-N 437.456 2.403 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n1 726877322 GYPCZPKXULBRRJ-APPDUMDISA-N 436.588 2.193 30 10 IEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 747803566 XBHDHCSZCSCPRA-FGZHOGPDSA-N 446.507 2.177 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1OC 749095275 NNKBEJHTSPBQDY-XQISSFKQSA-N 429.469 2.225 30 10 IEEE C#CC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccccc1 757257896 FQNCKYGNVBJLQS-FPOVZHCZSA-N 440.521 2.459 30 10 IEEE C[C@@]1(C(=O)O)COC[C@@H]1NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757487896 WZDZDFBCZFPNQI-SQJMNOBHSA-N 448.475 2.134 30 10 IEEE Cc1cc(OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)ccc1C#N 766067001 GFAREWBAQPSAGG-ZROIWOOFSA-N 425.510 2.390 30 10 IEEE COC(=O)CCCC[C@@H](C)C(C)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 767757026 YTYBTHDQULEJGO-MRXNPFEDSA-N 439.582 2.175 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 778292370 DIJXPLRQHVCACO-FQEVSTJZSA-N 425.510 2.363 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc3c(c2)OCCO3)N(CC[C@H]2CCOC2)C1=O)NC1CC1 784125535 QWPJBVOTSXICIM-IFXJQAMLSA-N 445.541 2.485 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2cc3c(cc2Br)OCCO3)n1 790104498 DCZHUKHNYJMOLV-UHFFFAOYSA-N 448.317 2.268 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790639264 MDEYCOLKBKLMAF-QHCPKHFHSA-N 436.597 2.249 30 10 IEEE COC(=O)Cn1cc(C=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 794899201 IQFWYGYSPHBKCK-UHFFFAOYSA-N 430.442 2.176 30 10 IEEE COC(=O)c1cc(Br)cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 813057150 QZPKIGNRUXSKBG-UHFFFAOYSA-N 437.271 2.367 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cc2c(cc1[N+](=O)[O-])OCO2 814800247 OVXAQWUXFZTGLE-UHFFFAOYSA-N 433.446 2.339 30 10 IEEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917702939 JKMYXDZZNXYNQZ-KRWDZBQOSA-N 439.472 2.404 30 10 IEEE CN1C[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1129472411 MTUJNRGOFFFBJZ-CQSZACIVSA-N 437.294 2.337 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(I)n1 1130626206 IWMXTWZDSHPHBQ-UHFFFAOYSA-N 430.242 2.112 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 1132934663 ROZLQQDAMSVSCL-FCEWJHQRSA-N 438.546 2.112 30 10 IEEE COCCOCC(=O)NC1CCC(C(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)CC1 1134922115 BXMZOAWNEPJYJK-LYGPFTKASA-N 428.533 2.355 30 10 IEEE COc1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1I 1139226931 GMOGNLQBTWGBAL-UHFFFAOYSA-N 426.210 2.349 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCNc2ccc(C#N)cn2)cc1 1141486772 BXRKVJROJWFWSE-SFHVURJKSA-N 425.514 2.095 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 1152023577 LDLYWSNFOWSWEX-UHFFFAOYSA-N 425.420 2.074 30 10 IEEE C[C@@H](CC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1152736861 OWJUJYQUCOYSDI-GJZGRUSLSA-N 435.546 2.084 30 10 IEEE C#CCN1CCN(C(=O)CN(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 1194010150 UBDFBOSQZDKIKT-UHFFFAOYSA-N 428.577 2.181 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 1211521432 NNBJDUVXYFCFQC-IBGZPJMESA-N 444.509 2.369 30 10 IEEE Cn1cc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCC2=O)cn1 1269323308 ADLIYYVFPAMVDZ-QGZVFWFLSA-N 434.500 2.385 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286410624 VMZXNYUJONLAAP-HSALFYBXSA-N 445.633 2.010 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1286443007 UWNRLYOBNLGJQE-UHFFFAOYSA-N 447.543 2.193 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1286448518 WZUNMDMBBUOZEQ-ROUUACIJSA-N 433.553 2.473 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1286479930 JDDHRNACLFGJGA-PMACEKPBSA-N 439.560 2.403 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1286505226 ZYCMGZDCGJNNIW-UHFFFAOYSA-N 435.557 2.207 30 10 IEEE C=C(Br)Cn1c(N(C)CCn2cccn2)nnc1[C@@]1(OCC)CCOC1 1286546761 FCSINGYTTCBETM-QGZVFWFLSA-N 425.331 2.172 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1286627211 ATDPIKRCOXYXMY-WBVHZDCISA-N 428.924 2.471 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC)CC1 1286655943 MANDHPZEVDGLEI-HXUWFJFHSA-N 426.583 2.156 30 10 IEEE C=CCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286778241 WLPMOYISDLVHDJ-OAQYLSRUSA-N 438.594 2.442 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)n1 1290631947 ACDCKDOOUYQALX-MBSDFSHPSA-N 440.596 2.238 30 10 IEEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1293177900 OVRBIYVOUIOEQH-NGYYIYKWSA-N 431.500 2.110 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1297994486 CEABZQRLFNIUJK-LJQANCHMSA-N 440.569 2.473 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1299756793 PGCILCAUXSQOOI-AQMPTVPWSA-N 439.520 2.195 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2occc2C)c1 1300331342 JKUDWHKTSLIZAE-UHFFFAOYSA-N 434.500 2.422 30 10 IEEE Cc1c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)nnn1-c1cccc2c1CCN(C)C2 1300392764 JMDLKMUCBHUEMN-JOCHJYFZSA-N 430.512 2.241 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300493140 QVDWKVDVJIEQQR-INIZCTEOSA-N 433.603 2.434 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1300528922 AWZGPVWAFCGGBZ-UHFFFAOYSA-N 435.553 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(F)c2)CC1 1300556626 KIQQAYAQSDVBKU-KRWDZBQOSA-N 443.548 2.222 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CO2)C1 1300656564 JRYUOVXUXOZITJ-DLBZAZTESA-N 444.507 2.418 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2csc(C)c2)CC1 1300684918 CMTTYXMGIVUKNF-QFIPXVFZSA-N 429.590 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2ccccc2F)CC1 1300719718 NIPFUOWFUZFOKM-UHFFFAOYSA-N 447.518 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cccn2)CC1 1300726141 HXRISUSYBGODOT-UHFFFAOYSA-N 449.534 2.261 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1300761374 BVIFGXRYKGLFHM-SFTDATJTSA-N 441.601 2.004 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301054577 SGUHZLATAPROKP-FQEVSTJZSA-N 446.490 2.395 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1301298056 YCFJOUYJEMMCIM-CYBMUJFWSA-N 434.953 2.391 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1)C1CC1 1301327730 VUIBTDUDZSOLIS-GOSISDBHSA-N 443.573 2.073 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1302026491 GINAVXYVLRZIEI-VKJFTORMSA-N 448.465 2.328 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1303497330 RJIAYQHSAISVJP-VXKWHMMOSA-N 448.543 2.163 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C[C@@H](C)O1 1307928584 NGWNPFZNYMXEOC-YJYMSZOUSA-N 428.464 2.306 30 10 IEEE C=CCCC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1309999259 XNHWIBKJMRDHMS-OAHLLOKOSA-N 429.564 2.018 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1324191668 BCLLVUIYIKBQRW-LLVKDONJSA-N 426.844 2.441 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCOC2)C1 1340092161 ZEEZIPJVDHPZPK-ICSRJNTNSA-N 439.564 2.270 30 10 IEEE N#C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1351330836 ZNRWFZXRMWXPEU-SJLPKXTDSA-N 432.546 2.186 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1358887206 RLXLWXVNEPLPHJ-DLBZAZTESA-N 436.516 2.495 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1358922403 DFDOSFFBJRPBEM-IBGZPJMESA-N 438.488 2.094 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1358961513 AKERXDUAVPYTMA-LJQANCHMSA-N 426.542 2.395 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCc2ccccc21 1358984433 VBBNXIBUUCIDGC-VWLOTQADSA-N 433.556 2.493 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCOCC1(C)C 1359025624 UOBZHVVFODDFCM-UHFFFAOYSA-N 429.540 2.205 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1359034508 TVCMUNLYSZUTHP-GOSISDBHSA-N 447.509 2.288 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1359039848 YPJFUOQDFKHRMW-NHCUHLMSSA-N 426.540 2.327 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1359065632 VZFZQJGSSSCCQT-RPWUZVMVSA-N 445.608 2.422 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1359230691 BUHWHJLPHZHPJC-LLVKDONJSA-N 433.456 2.299 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncccc2N(C)C)CCOC1 1360339776 XIGNUVRBWMXSKM-VXKWHMMOSA-N 443.527 2.270 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2c([nH]1)CCCC2 1456246506 JLTKPPJPSQZTAL-QGZVFWFLSA-N 429.546 2.202 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 1457746768 XGFUXNZDTWYPGQ-JOYOIKCWSA-N 440.254 2.241 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 1465424758 IMGIJYJEPCSQGS-VWLOTQADSA-N 441.572 2.390 30 10 IEEE N#Cc1cc(S(=O)(=O)N(CCN2CCOCC2)[C@H]2CCSC2)ccc1C(F)(F)F 1475478873 CZHCGKOQCSWJPC-HNNXBMFYSA-N 449.520 2.405 30 10 IEEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(SC(F)(F)F)c1 1479367949 XRPPSWJGNWFZEL-SNVBAGLBSA-N 427.408 2.493 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1496374971 JHSSOKLGYFAVRX-IBGZPJMESA-N 430.578 2.499 30 10 IEEE CCCCN1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1500543796 DRINAIHQEHNEOP-WOZUAGRISA-N 446.596 2.385 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1504338473 GNFLQYBAJMXBBY-XLIONFOSSA-N 433.509 2.363 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1504998473 JGRYNCSCIAONPB-BZUAXINKSA-N 446.577 2.360 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1505047301 DAYQTVJKRQUBDD-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CCOCC(F)F)cc1 1505317410 TZIWCIVTNMOURA-GOSISDBHSA-N 443.458 2.200 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1507546500 REEHMKZPFHOJJT-IRXDYDNUSA-N 432.546 2.148 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccsc1)N(C)C 1507659578 ZQEDOSZWSFBPEI-IHPCNDPISA-N 427.574 2.439 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1507679031 FZHXIPFXZAPABM-INIZCTEOSA-N 431.562 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCCCC2=O)CC1 1507742214 CMJRXTMPRYVBNC-UHFFFAOYSA-N 442.608 2.235 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1507812654 OELCESUWYUAIAR-KDOFPFPSSA-N 427.596 2.260 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC1CCS(=O)(=O)CC1 1508029333 ZMPXBASSALAFJL-UHFFFAOYSA-N 442.545 2.388 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1508091083 RHVMGHJKCZPXES-MRXNPFEDSA-N 442.568 2.237 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1508687570 CJPJSUNSXISVBB-JOCHJYFZSA-N 426.521 2.246 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCC[C@H]1C 1509215020 DCBNNWBCJUXLAR-RTBURBONSA-N 437.596 2.338 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1509950895 XPPPBHKORNMCBF-IECFSIQFSA-N 448.568 2.327 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 1516761747 MSYCSCKWCMLLKZ-OAHLLOKOSA-N 438.415 2.165 30 10 IEEE C[C@H]1Cc2cc(C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)ccc2N1S(C)(=O)=O 1531353717 CPMZRCFDRPFYGF-AWEZNQCLSA-N 436.497 2.161 30 10 IEEE N#Cc1c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)ncc2c1COCC2 1536736413 NTFLMSUDXAPPOQ-UHFFFAOYSA-N 446.554 2.443 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1F 1538219967 ORUKZUGZXUUWMB-CZUORRHYSA-N 441.525 2.275 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCN1CCN(Cc2ccccc2)CC1 1539001684 HOPJIPWSNIWEJY-FQEVSTJZSA-N 430.560 2.011 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1539089489 NUQPNXDGLJXTDH-KRWDZBQOSA-N 434.504 2.489 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1539226527 ZWAVAOHIRAVZIZ-FQEVSTJZSA-N 442.585 2.499 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1539514364 YLKDSHHQZIFHRR-KRWDZBQOSA-N 441.605 2.480 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 1540438557 OHJCVDFZIUPPLA-UHFFFAOYSA-N 435.303 2.043 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1540909126 YVGBGONSRSLPHJ-QINHECLXSA-N 439.557 2.239 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1541459292 MMBBUKNYSKDURO-FQEVSTJZSA-N 444.605 2.357 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCn1cccn1 1541684904 MDMGQJLONIJKKK-UXHICEINSA-N 432.532 2.447 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCOC2=O)CCOC1 1541728460 JQNIKNOKOUDTSA-VXKWHMMOSA-N 446.552 2.291 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 1545025591 HBWSMFVFCJQDQH-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4ccnc4)CC[C@@]3(CO)C2)cc1C(F)(F)F 1548366759 SQXOYTVHJGSSGV-UZLBHIALSA-N 433.434 2.121 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC)nc2)cc1 1554978615 AVHSKSWBDLVDIV-LJQANCHMSA-N 436.472 2.046 30 10 IEEE Cc1nc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2cnn(C)c2)no1 1561601891 BBNUKHLQNKXZCY-CQSZACIVSA-N 426.380 2.070 30 10 IEEE N#CC1(CNC(=O)NC[C@H](O)COc2ccc(I)cc2)CCC1 1564947533 RGTWIQKSZKNCIN-ZDUSSCGKSA-N 429.258 2.024 30 10 IEEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc12 1583811508 FYGABNVQTWQQSX-CXAGYDPISA-N 425.514 2.125 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1=O 1585233521 VEVJOJUHPRVQOC-XMMPIXPASA-N 447.495 2.135 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1587438283 AMZNXZDVWKFUIG-MRXNPFEDSA-N 446.504 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1587608617 CSXPXIPZZFCAEV-CQSZACIVSA-N 430.559 2.146 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1587615425 UVKLCCRKHUVQSL-RTBURBONSA-N 433.560 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587650692 FUTJHFGDJNCZDJ-OALUTQOASA-N 431.544 2.390 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1587754479 GCGYTZABBOQEQQ-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1587915332 JBRNEPLAZGGEKU-CQSZACIVSA-N 427.896 2.352 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588055248 UJMZQAWVULLARR-AZUAARDMSA-N 433.622 2.437 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CC(N)=O)C1 1589009052 YQYPUSYROLYBRE-OAHLLOKOSA-N 428.518 2.312 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1589028096 YFLGBYRXMAMCPK-APWZRJJASA-N 438.561 2.148 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1CCOCC1 1589427601 RNQUISYJEZAJCO-UHFFFAOYSA-N 441.399 2.311 30 10 IEEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1594115993 YZYISDULSBTOAF-NRFANRHFSA-N 437.592 2.363 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1594491503 CBCBLPVYIRZZGP-RDJZCZTQSA-N 442.568 2.406 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1595516228 BUDPFTTVYYDMHI-UHFFFAOYSA-N 435.532 2.174 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3ccccc3n2CCOC)s1 1611095872 IAOGJUGLCPJKEL-UHFFFAOYSA-N 434.543 2.390 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)N(C)[C@H]1C 1613902916 JKJHPMGGMGVGFX-BXASSPPCSA-N 442.559 2.131 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(CC(C)C)C1 1620110743 AODQEAXEIWUYJH-BURNTYAHSA-N 446.596 2.099 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)c2ccc(C#N)c(Cl)c2)c1 1624013170 HRPQDTJWWNGGMJ-UHFFFAOYSA-N 436.921 2.067 30 10 IEEE C#CCN(C)C(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1625060811 ATJSKBBQQWHKRS-UHFFFAOYSA-N 444.273 2.054 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 1627350826 DYRRIVPBAMODPO-SFHVURJKSA-N 449.573 2.128 30 10 IEEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CCOCC1 1629804381 ZCUQBTDYFOGMJH-SFHVURJKSA-N 433.574 2.479 30 10 IEEE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1630415518 QTRISNHXTNBREN-JBCFUHIKSA-N 434.537 2.301 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCn3ncnc32)CC1 1633105256 YEXFBRSEZUDHMK-SJORKVTESA-N 429.322 2.327 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 1640196412 YYWXCBZMOCXIHD-QKNQBKEWSA-N 440.544 2.060 30 10 IEEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)ccc21 1642527844 MHOYKRMXVSOYIX-UHFFFAOYSA-N 445.523 2.300 30 10 IEEE C=CCCSCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1644664222 JIGRZWFLGJDJIO-MJGOQNOKSA-N 426.604 2.359 30 10 IEEE CC(C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H](O)c1cc(Cl)cc(Cl)c1 1653072359 AQWAQWGEWWOONQ-WBHUJUFNSA-N 431.341 2.450 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 1676058892 JUQBNGUGRPCQDZ-AWEZNQCLSA-N 444.479 2.367 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)C1 1685267391 XOBIKDQDTWJTPR-MSOLQXFVSA-N 428.499 2.307 30 10 IEEE CC(C)C[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(=O)N1CCOCC1 1686875898 QWOJCELCICRZTP-MHJFOBGBSA-N 443.548 2.216 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1(N2CCOCC2)CCCCC1 1689827161 AUSWFIUKGCWLQP-VQTJNVASSA-N 433.597 2.495 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689895307 OYZUJMWTZYIZSM-UHFFFAOYSA-N 433.553 2.283 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993249 ZCWNOVUYAWNDFC-RTWAWAEBSA-N 441.601 2.304 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690159738 LBABZWQEDWVWLZ-HOTGVXAUSA-N 429.458 2.334 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1690303487 ZWAOPDMNHRNJPI-UHFFFAOYSA-N 446.371 2.109 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@@H]1CC 1690503883 QWZMASZNZFLUKV-KRWDZBQOSA-N 427.505 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2occc2C)C1 1690699901 KUKPEIXKJMBPKR-QZTJIDSGSA-N 429.521 2.285 30 10 IEEE Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1693014603 BMWQFBHAUMBQAW-XMMPIXPASA-N 449.559 2.269 30 10 IEEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)s1 1693445248 JANBQBPIJLYKGA-OAHLLOKOSA-N 449.606 2.103 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1705476935 HDUTUVDFHRUSMS-CVEARBPZSA-N 443.573 2.385 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705498694 ZKHDXKGDCXWSNR-GOSISDBHSA-N 432.528 2.237 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1705537562 JXVFUMWOKBMIFA-UHFFFAOYSA-N 438.532 2.273 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(=O)NCC)CCC1 1705578076 FJRVIVLECMPUQN-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CCCCC1 1705581701 JFKVKBSMPWMPEH-OAQYLSRUSA-N 425.577 2.280 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1705625803 XIOOUZMFYBBJOL-DRKIFQHWSA-N 443.548 2.309 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1705627173 XNEGDIOLPBULQZ-MRXNPFEDSA-N 435.532 2.163 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1705635127 RUVJIWPRIIVZBK-FQEVSTJZSA-N 441.601 2.152 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705737337 ONCPUPDQNQDDIV-KRWDZBQOSA-N 443.508 2.005 30 10 IEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705823466 MPJIEQFEISKRSF-UHFFFAOYSA-N 442.495 2.483 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705883277 BYKWBBBTDKPIKS-UHFFFAOYSA-N 449.559 2.261 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705906114 STGWUVSWNHVGHF-MRXNPFEDSA-N 438.454 2.114 30 10 IEEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1706701090 UDXLRBJVBOOZBE-LJQANCHMSA-N 437.548 2.243 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C[C@@H](C)O1 1712302802 AULNUOZUBZONRG-UIFIKXQLSA-N 439.516 2.314 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1F 1712842159 GRQRBEMVEQMSHY-SUMDDJOVSA-N 447.536 2.348 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 1722324748 XMFOQUIYDZKGQF-INIZCTEOSA-N 431.562 2.263 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722367578 WOBIRMIVJUFVPI-FUHWJXTLSA-N 446.573 2.484 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCS(C)(=O)=O 1722406232 WEWZRJAYTNIUGA-UHFFFAOYSA-N 441.557 2.322 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2cccc(F)c2)CC1 1722433333 RAGHVMGPISLDAT-XMMPIXPASA-N 441.551 2.457 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1722463943 QLMHNAUWZWEZAU-QGZVFWFLSA-N 443.573 2.289 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722482585 BQDWJOIGNDIWBO-MRXNPFEDSA-N 437.386 2.197 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1722739246 UADQGXRHNUTIJN-MAUKXSAKSA-N 429.546 2.412 30 10 IEEE CC(C)COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1723487281 AQPOGWDRYXYLHW-GOSISDBHSA-N 426.521 2.228 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC(C)(C)C2)CCOC1 1723663765 LUTQTAVCKVWMOV-PGRDOPGGSA-N 434.585 2.168 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cccc(F)c2)CCOC1 1728814905 BAEJDNCZXGJXSL-KNQAVFIVSA-N 429.496 2.431 30 10 IEEE COC[C@H](F)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730492498 JUUOEEPVQIJHGL-IEBWSBKVSA-N 428.512 2.039 30 10 IEEE C#CCCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740597387 STGSDEQULPQZCC-CVDCTZTESA-N 429.565 2.323 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCO[C@@H](C)C1 1740684664 YEDILOBIXJWMLN-DLBZAZTESA-N 436.516 2.495 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CC[C@H](F)C2)n1 1740688617 HCYBJJRFDNQYKM-HKUYNNGSSA-N 440.527 2.300 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C)n2)CC1 1740704441 OAMNYBOOOKYJIK-UHFFFAOYSA-N 431.544 2.196 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1740851415 VUGMERGZBWTVTF-CVEARBPZSA-N 443.639 2.155 30 10 IEEE C=CCCCn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740876973 QAVHMFXRSANKHE-GOSISDBHSA-N 425.599 2.074 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740983103 BCGNYMKOCYSHQW-OALUTQOASA-N 437.610 2.074 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)C1 1740985696 SZVCCHGQYHIVHV-GSHUGGBRSA-N 432.496 2.317 30 10 IEEE CCc1cnc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1744421739 NMROVXAIHSRKDW-FMQUCBEESA-N 441.561 2.412 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCN1CCCS1(=O)=O 1744656386 HLRTXFQOHIZOHT-HXUWFJFHSA-N 442.589 2.207 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1745554369 DKCISZWPTHJGEJ-HSZRJFAPSA-N 438.532 2.404 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748721970 QXQAOKGGNBOZCV-LJQANCHMSA-N 438.507 2.284 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O 1748803502 VEDJRYJEJRAYFT-HDICACEKSA-N 440.548 2.174 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1748987650 ZTMKFMWFQJHKBP-UHFFFAOYSA-N 427.553 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCC2)CC1 1749009462 BCWSAXSGZQRLHY-UHFFFAOYSA-N 445.571 2.268 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1749066257 IZSHZQWKRNQLFQ-DYESRHJHSA-N 437.610 2.285 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1749134087 UKARITKBUKUNCE-GHTZIAJQSA-N 445.589 2.259 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1749409274 SXRWNWCRYZQEMJ-UHFFFAOYSA-N 431.629 2.377 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)CC 1749479322 YEGKDULYLJCIQU-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE Cc1occc1CN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1751359616 FLSTVOFRWCLXJN-QURGRASLSA-N 447.499 2.328 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1760152273 ZIDZZLKJGDREKM-HDICACEKSA-N 425.537 2.395 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1760224472 LUSYZAHOYISXOO-NRFANRHFSA-N 431.924 2.127 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)N(C)C 1760249234 XPUMWUAPMOUUMO-RBUKOAKNSA-N 444.967 2.272 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760428243 ROYHUSZNWOQGDP-GOSISDBHSA-N 425.599 2.294 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)CC1 1760554105 RJVSINGSEFJYQI-UHFFFAOYSA-N 430.456 2.115 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)n[nH]1 1762310711 HBWHLTOGSFKYSU-UHFFFAOYSA-N 447.547 2.181 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763736508 DYHSHKMRDAPHEQ-IGGDJGDASA-N 429.569 2.239 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C#N)C1 1766114424 URSQTNWXYDRJII-MOPGFXCFSA-N 431.585 2.190 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1766229856 MDWYWARGCFEBNO-VXPUYCOJSA-N 428.468 2.117 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1766311366 FPYURQTUFIBKFU-KNQAVFIVSA-N 428.512 2.158 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1767257608 XREUARDUSWJCKY-LJQANCHMSA-N 427.505 2.067 30 10 IEEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1769615864 FNPHEQJGZQWZAA-HNNXBMFYSA-N 436.438 2.358 30 10 IEEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)CC1 1770744417 JVJOHBMGHBQMGH-UHFFFAOYSA-N 440.458 2.040 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccccc1 1771295294 LFDIBADGYRTPMQ-KCOOCBJMSA-N 429.496 2.352 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2ccc(Cl)nc2)cc1 1771534858 RBXIILWWWMWKRB-UHFFFAOYSA-N 437.891 2.152 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)COc2cnc3ccccc3n2)cc1 1851491731 IAGJFFUHLNPVDV-FQEVSTJZSA-N 448.479 2.203 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)CC2)cc1 1851892297 MQJMFYXXUVBNFR-UHFFFAOYSA-N 430.508 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)OCc2ccc(F)c(C#N)c2)CC1 1852102062 PDJRGZTYYUINNA-IAGOWNOFSA-N 431.464 2.456 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)C1CN(C(=O)COc2ccccc2F)C1 1852133211 JOOVLOIMMBJBRI-UHFFFAOYSA-N 433.237 2.331 30 10 IEEE COc1ccc(-c2nc(-c3ccccn3)nc(N(C)C(=O)[C@H]3CN(C)C=N3)c2C#N)cc1 1852422451 FZNCVGMRMJTHRT-LJQANCHMSA-N 427.468 2.391 30 10 IEEE Cc1cccc(OCC(=O)N2CCC(NC(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)c1 1852662996 LCJNWOOOGGDJAW-UHFFFAOYSA-N 446.511 2.326 30 10 IEEE COc1ccc2c(c1)CC[C@H](C(=O)O[C@@H]1CON(S(=O)(=O)c3ccccc3C#N)C1)C2 1855409244 XBWUPGFZJLJLPD-PXNSSMCTSA-N 442.493 2.220 30 10 IEEE Cc1cc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)ccc1F 1857026748 PKAQAOMLAUFHFV-SFHVURJKSA-N 435.521 2.007 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)[C@H](C)C2=O)cc1C#N 1857098397 KQXXULMXMSOREW-CYBMUJFWSA-N 433.436 2.207 30 10 IEEE O=C(/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1860636796 RLSIUHJVVJJXEF-DAFODLJHSA-N 436.464 2.113 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862737843 MSQRUIIUCMMMOJ-DIFFPNOSSA-N 427.369 2.462 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc2c1 1865861825 IRKUSSOGDPBUPA-GREKMHCPSA-N 433.511 2.222 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1 1868739985 YDYMLFKRDWVYLV-CQSZACIVSA-N 428.938 2.218 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C)c(C)c2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870005040 VAXJVHCUMSRPQJ-SFHVURJKSA-N 429.546 2.107 30 10 IEEE COc1cc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1870099175 RSTXZCKLEKSMLS-UHFFFAOYSA-N 429.458 2.274 30 10 IEEE N#Cc1ccc(Cn2nnc3c(=O)n(Cc4cc(Cl)cc5c4OCOC5)cnc32)cc1 1870104970 SUQCNQXDQXADLQ-UHFFFAOYSA-N 434.843 2.476 30 10 IEEE CCCOc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874338808 YWBDQAYVDSSKFL-IMQYADFFSA-N 444.561 2.251 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)c(OC)c1 1874470486 IFUOTQGOUGSENM-KEBDBYFISA-N 448.530 2.251 30 10 IEEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633971 UFRUHLQVWYONLO-HNNXBMFYSA-N 434.342 2.489 30 10 IEEE C#CCn1ncc(NC[C@]2(O)CCCN(Cc3ccccc3)C2)c(Br)c1=O 2157516681 GVOUIEYMWZOIGB-HXUWFJFHSA-N 431.334 2.078 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(c1ncc(Br)cc1C#N)C2 2203330967 UXURKHQALLOZET-UHFFFAOYSA-N 434.298 2.352 30 10 IEEE Cn1cc([C@@H](O)[C@@H](N)C#Cc2ccccc2Br)c(I)n1 2235735129 SPCMYPKBJCXVQR-QWHCGFSZSA-N 446.086 2.200 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C)B1OC(C)(C)C(C)(C)O1 2243435857 YHAJSMKVENNQAX-CABCVRRESA-N 430.376 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H]2C[C@H]21 2247831827 FHZGYKJWHREVIH-UONOGXRCSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCC1 2255628961 PDSIZDVWBHLDLX-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826663 QZLOWBBEURDRDR-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255840019 HAAPDIQPSMBBQN-OKILXGFUSA-N 449.382 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255879186 LQZGFZNYGUMAJX-UHFFFAOYSA-N 431.342 2.464 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256014425 OBKUYSKFFMCEOC-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267009078 JMZDJBSLYTWYNI-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267227062 QNVCZNPPSABMJT-IAGOWNOFSA-N 446.353 2.316 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267497021 IBRLVYISZLMFPX-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267519742 KFWGOLAZBQAGLJ-GOEBONIOSA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267521138 QXKVUGUDKJQARZ-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268654993 GSYWXNIXONRERI-PBHICJAKSA-N 446.353 2.149 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268718569 YFYMRFVGWCRWJX-RHSMWYFYSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H](O)[C@@H](N)C#Cc1cccc(Br)c1 2278726796 BXUFBMNREKLIIA-GVDBMIGSSA-N 425.323 2.125 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)nc2)OC1(C)C 2282618778 OKQGESZZHWHSPY-CLOONOSVSA-N 448.376 2.370 30 10 IEEE C=CC[C@@H]1CCCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286030879 HDBKNVNSALILNY-MJGOQNOKSA-N 438.546 2.462 30 10 IEEE C[C@H](O)Cn1c(NN=Cc2ccc(OCc3ccccc3)cc2)nc2c1c(O)nc(=O)n2C 2328610432 VLUWWUOOWMZDJR-HNNXBMFYSA-N 448.483 2.241 30 10 IEEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574474 IKGZPZIJWQSMOQ-ZHACJKMWSA-N 449.357 2.386 30 10 IEEE C#CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCSCC1 36249943 HKQOIUFUIQMQQH-FQEVSTJZSA-N 445.585 2.354 30 10 IEEE CC(=O)Nc1cccc(C(=O)/N=C(/NCCN2CCOCC2)Nc2ccc(F)cc2)c1 46134901 HGGBAVUUKLTUPQ-UHFFFAOYSA-N 427.480 2.314 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)/C=C2/NCCc3cc4c(cc32)OCCCO4)c1 102616700 FMSNEYQGUCAPAV-XMHGGMMESA-N 428.510 2.468 30 10 IEEE CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)n1 427260451 MXWLIWQJULDXKC-ZDUSSCGKSA-N 439.925 2.199 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCC3(CC#N)CC3)c12 431170977 DJWHNOCMOIGGFM-OAHLLOKOSA-N 427.530 2.400 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 433000732 XNWHARUJAKBADP-KRWDZBQOSA-N 436.331 2.299 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 434834434 QRLZOCHJJQAVOF-UHFFFAOYSA-N 427.442 2.114 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 460369174 IFWVZAQNYGYYEO-UHFFFAOYSA-N 435.532 2.310 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 464904787 PEDJNRKZWYUTGW-SFHVURJKSA-N 434.548 2.233 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)NCc3nnc4ccccn34)c(C#N)c2N)cc1 477855586 QDACVFKFRWTAQN-UHFFFAOYSA-N 429.488 2.109 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1OC 502698301 JGHYDFZYBCXVHT-QHCPKHFHSA-N 445.516 2.250 30 10 IEEE Cn1nc(O)c2c(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc(C3CC3)nc21 509724662 OWDHHUUFJSUQNY-KRWDZBQOSA-N 430.468 2.348 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@](CO)(c4ccccc4)C3)C2=O)cc1 513914701 IQJDEGFTGSHUOU-BWKNWUBXSA-N 446.507 2.316 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cc1C 523652155 JJIQMZJLGHRNRK-GOSISDBHSA-N 438.549 2.278 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 537161226 BMISIDNWBZFABL-JKLQHZFJSA-N 442.535 2.341 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 543754055 ZOJZDBCIVOEFGF-UHFFFAOYSA-N 437.548 2.061 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(Cc4cccc(Cl)c4)CC3)CC2)n1 545506124 KRIORSBWORRYBV-UHFFFAOYSA-N 438.963 2.073 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)CCn4ccnc4)c3)CC2)n1 546903497 JOPIKVUYKMSXGN-UHFFFAOYSA-N 429.484 2.141 30 10 IEEE N#Cc1ccc(CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(C(F)(F)F)c1 569040035 REVMBUPTDQMBOW-UHFFFAOYSA-N 438.431 2.310 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)CC2)o1 582329955 SSSMWPVUCADKHN-WIYYLYMNSA-N 442.951 2.192 30 10 IEEE Cc1c(Cl)cccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609853402 PNBRUIMOTSTYOE-UHFFFAOYSA-N 433.917 2.432 30 10 IEEE CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 611172920 NHVIINKEDMTZGM-AWEZNQCLSA-N 446.504 2.170 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C1CCN(C)CC1 727417324 BWVVGBWBAASQGX-UHFFFAOYSA-N 449.532 2.164 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(CC)CCC2)cn1 752234339 CDDNCMQIZGMYPM-KRWDZBQOSA-N 434.610 2.483 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2OCC#N)C1 760789696 KDCKIENBRNTPON-AWEZNQCLSA-N 436.465 2.372 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 781650398 XZGZLAMCCIEGIQ-GOSISDBHSA-N 440.569 2.129 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OCC)n1 790105659 UZCSBGPRYXPDOL-NRFANRHFSA-N 438.528 2.195 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 802562311 JTOJSQFXSSSKOW-UHFFFAOYSA-N 449.003 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C[C@H]21 804158833 CAYWQMXKRVKFDU-ZHALLVOQSA-N 444.507 2.465 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1ccc(F)cc1 812933430 CFVABYLJEQFHQS-SFHVURJKSA-N 437.443 2.494 30 10 IEEE C#CCN(C)c1cnc(-c2noc(CCNS(=O)(=O)c3ccc(C(C)C)cc3)n2)cn1 813342633 GVGJATWXWPVVCG-UHFFFAOYSA-N 440.529 2.240 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)c3cn(CCO)nc3C3CCOCC3)CC2)nc1 856668492 HCSPDXSMCKWWID-UHFFFAOYSA-N 439.516 2.156 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 915098208 LUTFFSUOMZMVEK-GJZGRUSLSA-N 427.486 2.445 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Cl 917929936 JVEUPMQVMHWCAZ-HNNXBMFYSA-N 432.933 2.392 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc1nn(C)c(=O)c2ccccc12 925344540 RASPVNQDPYGHIQ-MRXNPFEDSA-N 448.479 2.363 30 10 IEEE Cc1cc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)ncc1C#N 1124417511 ZDWIUYIJULHNDP-UHFFFAOYSA-N 439.497 2.035 30 10 IEEE C#CC[C@@]1(C(=O)NCC2CCC(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1133809040 WGJIYVCFJVPYSS-BPZDKFOGSA-N 426.579 2.499 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cn1 1136157587 VJALNVYADLIAFN-UHFFFAOYSA-N 439.324 2.336 30 10 IEEE C[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)N1CSCCSC1 1141514834 FZXRIPCWJKNAKR-HNNXBMFYSA-N 430.603 2.460 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)C(=O)/C=C\c2ccc(F)cc2)n1 1148212413 BYJWAKTZODIAFI-TWGQIWQCSA-N 430.436 2.245 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC 1152035763 NKIQHTXAURAQFD-HRCADAONSA-N 426.510 2.189 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)cn2)cc1 1152385283 NDBIWUPZTZOSOO-RBBKRZOGSA-N 447.470 2.085 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cccc(CC#N)c3)CS(=O)(=O)[C@H]2C1 1158295967 XQSKQMBPSDQHCF-NXHRZFHOSA-N 433.530 2.361 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 1159778298 KRKJOHDIAABOSN-LJQANCHMSA-N 434.558 2.410 30 10 IEEE C[S@@](=O)C1(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCN(C(=O)OC(C)(C)C)CC1 1175029660 JOEOBSAZATVOGB-YVGXBJCXSA-N 431.558 2.290 30 10 IEEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1195946997 PLEKIOIJOMTBEE-IBGZPJMESA-N 433.574 2.010 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)CC2)cc1 1221502120 AECWDDPMRHAGOL-HSZRJFAPSA-N 447.539 2.499 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)NCCn3cc(Br)ccc3=O)C2)c(F)c1 1274249561 DETVVDHVGPXONU-AWEZNQCLSA-N 433.281 2.264 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286394644 PESGTGKXGDHQKR-PZJWPPBQSA-N 442.585 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOc2ccccc2)CC1 1286492229 FCBZFWNVPDUDGJ-FQEVSTJZSA-N 437.544 2.217 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286501313 TXHQKYNYTQHMOF-JOCHJYFZSA-N 443.573 2.291 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1286581889 WTQRUNFYQCSWKQ-SFHVURJKSA-N 435.550 2.084 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286707277 XVKWTJSZVNBANR-FGTMMUONSA-N 426.521 2.379 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(C)(=O)=O)C1 1286812377 ORGIXIOSRRVYSR-KRWDZBQOSA-N 429.546 2.176 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1286950648 ZZIRBGOIOSQVOD-UHFFFAOYSA-N 449.481 2.417 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1287085246 CSBCMQKREIGRPK-BJLXPSRBSA-N 428.562 2.066 30 10 IEEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)COCCO2)CCOC1 1288296240 LCSYQJOHAIOLOM-FCHUYYIVSA-N 433.553 2.254 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)cc1 1289827398 GYPIRDKBXWOHNI-UGKGYDQZSA-N 442.589 2.332 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1294920028 DRGDJEMZBINHKU-HOTGVXAUSA-N 433.557 2.472 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2csc(C(C)C)n2)s1 1300081833 DFIOLQMFVXUPBB-ZDUSSCGKSA-N 429.589 2.185 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1300316713 BYSPNGJGGCQGFZ-QGZVFWFLSA-N 430.574 2.497 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1300431977 PZJOBYMAPKVSBN-LJQANCHMSA-N 438.454 2.440 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccccc1C 1300647827 ASBKXWNZMOQBHP-LJQANCHMSA-N 425.533 2.376 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(c2ccccc2F)C1 1300650004 RBYWXPHCAKDQAP-GOSISDBHSA-N 442.539 2.168 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CC=CCO2)CC1 1300710073 QZTAVWSGHNQFPC-FQEVSTJZSA-N 437.544 2.356 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300916274 VZPGQYGAEJRWMW-CVEARBPZSA-N 449.543 2.467 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1301278257 JHWHPXIJDWJILO-UHFFFAOYSA-N 426.546 2.480 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCc2ccccc21 1301808257 BPBQZUQSIVKAMN-XMMPIXPASA-N 432.528 2.464 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cccc(C)n1 1302312325 ZVHCXCBMHWLSFW-SXLOBPIMSA-N 426.521 2.067 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)c1 1304512150 FQSQRPPQPHMYTH-HXUWFJFHSA-N 440.548 2.005 30 10 IEEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1305916383 DTPNWHLPFSMRIW-INIZCTEOSA-N 431.562 2.043 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1)[C@H]1CCCO1 1310988284 YIEKKNKTGBUWHT-WMLDXEAASA-N 435.322 2.030 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1314740178 PMOXCRDWMXJHKD-LSDHQDQOSA-N 442.483 2.308 30 10 IEEE COCC[C@@](C)(O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315973613 GCBBXYJVNLGCKB-HSZRJFAPSA-N 442.539 2.355 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1316175213 AQQLJVLJNVPBFH-HRAATJIYSA-N 440.483 2.073 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CCO1 1316540338 JPCQNLLGJOVVBY-MSOLQXFVSA-N 433.896 2.045 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccn(CC(F)(F)F)c2=O)cc1 1354114978 ZSURJPCUWGWYSU-UHFFFAOYSA-N 429.420 2.469 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1358934395 ZVVXYHRWBVDGAU-SIKLNZKXSA-N 434.544 2.299 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCN1CCOCC1 1359016201 TXLXTVYGITXTOC-UHFFFAOYSA-N 437.523 2.180 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1 1359090053 UDEULATZDOHHEO-VQTJNVASSA-N 430.597 2.273 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359142208 CIUNWHGAWGAOKC-NEPJUHHUSA-N 445.895 2.189 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCSC2)CC1 1359161454 DUVODGKVAQTWOP-HXUWFJFHSA-N 434.587 2.373 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1359191024 KUNJLIXFFZRLDK-UHFFFAOYSA-N 429.569 2.037 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1359291231 ISDGZJSASGACRT-VQIMIIECSA-N 440.548 2.315 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359301412 YKZHPTXJAXDJLW-OAHLLOKOSA-N 431.541 2.253 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H]3[C@H](C2)C3(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305340 AOMSUEBEQNMBFI-YVSFHVDLSA-N 444.580 2.443 30 10 IEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1359309311 OHZGKRJYMLRTDK-UHFFFAOYSA-N 426.565 2.225 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1359335984 ALOWXKZFSOJZRZ-GOSISDBHSA-N 436.534 2.081 30 10 IEEE Cc1nc(=NC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 1361055776 RACZPFKGIBHRJI-NVXWUHKLSA-N 428.468 2.403 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)s1 1451375769 XNTIPNIDPCMAII-OAQYLSRUSA-N 446.550 2.391 30 10 IEEE CC1(C)OB(C2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)OC1(C)C 1455330008 ZNFCFFGVCOWLQJ-SFHVURJKSA-N 444.316 2.331 30 10 IEEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc21 1464435743 NLRDHKSNBMUFCP-MRXNPFEDSA-N 439.541 2.324 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1469536218 ZFFKMSDASVQQMH-ROUUACIJSA-N 430.505 2.052 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2ccc(O)c(CO)c2)C1 1471645473 TVGFAJNXUYVZPY-UHFFFAOYSA-N 430.302 2.314 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)[C@@H]3CCN(CC)C3)nnc12 1472597008 KJWMJUVROONANN-MRXNPFEDSA-N 440.573 2.265 30 10 IEEE CCOC(=O)[C@@](C)(NCc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 1473428803 ZTBXCFHHVSNUDM-FQEVSTJZSA-N 431.470 2.438 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)cc1 1479365524 QRCUOHKSWOZBMI-UHFFFAOYSA-N 435.406 2.472 30 10 IEEE COCC1=CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1504652289 ROUBFJRJJMYMHX-QURGRASLSA-N 440.548 2.320 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1505136078 AHARQKPNWOBYTA-FUHWJXTLSA-N 432.525 2.037 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1507544647 ZNPOOYSFCIWALL-LIRRHRJNSA-N 435.322 2.229 30 10 IEEE C#CCN(C)c1nnc(CCc2ccccc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507620186 CDLUHXOSDUFTBZ-UHFFFAOYSA-N 425.533 2.426 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OCC)c1ccccc1 1507669186 JAFVWJGDPJDBOC-LEWJYISDSA-N 440.569 2.421 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)C(C)(C)C 1507709776 AAONEMBEFHUUOE-UHFFFAOYSA-N 449.559 2.379 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(C3OCCO3)c2)CC1 1507733520 BJYSGRDXYVZZLA-UHFFFAOYSA-N 437.544 2.461 30 10 IEEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507986064 HJURBYFYJVTDGZ-QGZVFWFLSA-N 433.578 2.323 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1508040720 YFWKZWJJGLJURU-OAQYLSRUSA-N 432.594 2.120 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2C2CCC2)nnc1[C@@]1(OCC)CCOC1 1508150100 ZQLZOXLUYFAERU-GHTZIAJQSA-N 438.594 2.300 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1508155123 JBYGJUDRZPTLOA-ZDUSSCGKSA-N 427.534 2.213 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1508163650 WECLHBIWGXFBGD-IBGZPJMESA-N 429.546 2.378 30 10 IEEE CCOC1CC(O)(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)[C@@H](C)CC#N)C1 1516393875 BDBZOMAOPLKGRT-CLRXMSQOSA-N 437.504 2.262 30 10 IEEE CCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1516744036 IWBOPWXUCVANQE-QRWLVFNGSA-N 438.504 2.065 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1517253905 AXADQFWVOOQUED-AWEZNQCLSA-N 435.410 2.194 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539058425 DWFCRIFBPKHWGH-JOCHJYFZSA-N 445.571 2.363 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539068590 XPTIJBUEWXSUGK-UHFFFAOYSA-N 437.592 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccco1 1539305236 UKTMBMKQCGUCKM-UHFFFAOYSA-N 437.525 2.300 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC1(CS(C)(=O)=O)CC1 1539392886 WNZVUMSTKOTIFD-GOSISDBHSA-N 446.548 2.386 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)c2ccccc2F)CC1 1539446611 HCWPEFYFJMSHQI-LJQANCHMSA-N 426.540 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1539475451 GNVAQLCHMCIOKH-PZJWPPBQSA-N 438.576 2.311 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCCCO2 1540189502 VOZYHWBUYBWQAY-UHFFFAOYSA-N 441.532 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540863952 KJHBYCXWBIGORK-XMMPIXPASA-N 447.543 2.066 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540897259 FICBWMYQYZQIGX-UHFFFAOYSA-N 440.591 2.042 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1541095756 KRFIYUFXNYLNOJ-FPOVZHCZSA-N 438.532 2.260 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCCS(C)(=O)=O 1541362962 GJMRDEZKRSDIFZ-UHFFFAOYSA-N 445.593 2.210 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1541801057 NAGCBBFANXHXAO-KZNAEPCWSA-N 445.593 2.226 30 10 IEEE Cc1ncsc1CN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1542084328 OPZVMBURWMMYGR-HTXNQAPBSA-N 427.534 2.473 30 10 IEEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)c2ccccc2n1 1542179275 AGWYJQLEOYRCBJ-MRXNPFEDSA-N 441.561 2.432 30 10 IEEE Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1542665194 DPVKRYZNIAJTCM-ZWKOTPCHSA-N 446.577 2.328 30 10 IEEE CN1C(=O)CS/C1=C\C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1543335179 IKCLUXSTEKWWOW-DABYVZMTSA-N 436.559 2.265 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1544342289 VPHRACDQEHYMLW-QGZVFWFLSA-N 449.479 2.424 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1547307693 FEYCXORBVRNUKU-BRWVUGGUSA-N 434.541 2.156 30 10 IEEE CCO[C@@H]1C[C@@](CO)(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1(C)C 1556222614 ZVICBCJOVCBMTC-BZAXUSHPSA-N 435.565 2.456 30 10 IEEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)CC)CC1)c1ccc(Br)cc1 1564998881 DUJJWWLGAAIQKJ-INIZCTEOSA-N 428.352 2.237 30 10 IEEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](CC(F)(F)F)O1 1585358942 PTAGPQWDTVFEKG-AGIUHOORSA-N 433.452 2.072 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN(C[C@H]4CCOC4)CC3)C2)C1 1586456267 MTAIZWPHHSKBGC-GBGMBEOMSA-N 446.592 2.390 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)NC(C)C)c1 1587692767 KYOYUXICLDWHLD-LJQANCHMSA-N 438.532 2.101 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1587989702 NINFQFNPLAKMPT-WIYYLYMNSA-N 425.533 2.097 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1588045282 ITNGVDYOQPHTDO-ZWKOTPCHSA-N 448.639 2.420 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCn1cnnn1 1588162702 YHUDSBICUKXPOX-UHFFFAOYSA-N 432.532 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(COCCOC)cc2)CC1 1588801182 YJLDUNNDDGLMAL-UHFFFAOYSA-N 446.555 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(F)(F)F)CC1 1588930368 ULDXHTUWYPYPPT-QGZVFWFLSA-N 449.433 2.319 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1589515496 OIJTXVUGYLZOBO-HOJAQTOUSA-N 425.533 2.186 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1594733611 WFMYPSJWLPIXMV-GOSISDBHSA-N 431.562 2.142 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1594820141 VIYASEGCYVPFAH-UHFFFAOYSA-N 438.507 2.257 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1594992264 DKWMEPKHNQGGCX-UHFFFAOYSA-N 428.484 2.183 30 10 IEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C)C1CC1 1595026662 PXWRNNGFAOPQDP-UHFFFAOYSA-N 445.593 2.180 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1595496878 JOAVXTMDDDSDLE-HZPDHXFCSA-N 441.532 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595516219 BOHIQZZYTMNZAD-JPYJTQIMSA-N 425.533 2.330 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1595530145 USMXJIIXWOAZKV-UHFFFAOYSA-N 435.532 2.373 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C=C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595830765 GKUNINQHFUKTMH-NRFANRHFSA-N 438.594 2.322 30 10 IEEE Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1CC(F)(F)F 1598069945 OVTHMGLDBMXGOU-AWEZNQCLSA-N 434.378 2.469 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1606957309 FKKZBZAXXXWWDV-UHFFFAOYSA-N 431.566 2.142 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CCO2)cc1 1611499966 KDSNSGIWBQKXJG-QZTJIDSGSA-N 431.539 2.373 30 10 IEEE CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1613631394 AUFLMQXZQDBZHN-HXUWFJFHSA-N 432.532 2.354 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1617572989 HTCQPUJAJWCPQQ-QHCPKHFHSA-N 433.491 2.456 30 10 IEEE CNC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)CC#N 1618815248 GYVRQBIBRDYJDW-CYBMUJFWSA-N 435.326 2.494 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1620356330 WXKUTWFUSDHDDH-RTBURBONSA-N 431.924 2.447 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(N3CCN(C)CC3)CC2)n(Cc2ccco2)c1C 1620507978 DJORBFYCMNXKHP-UHFFFAOYSA-N 438.576 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)CC1 1622351896 OTEYYXMPWRVALR-INIZCTEOSA-N 438.471 2.471 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1 1623010508 BGQIBXQAWOPDGJ-VQIMIIECSA-N 431.470 2.293 30 10 IEEE Cc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1624721839 XQLGKQSPQQKMKI-DEOSSOPVSA-N 449.316 2.406 30 10 IEEE CNS(=O)(=O)c1cccc(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 1625386544 YDILGTHBFHGHDE-KRWDZBQOSA-N 438.550 2.188 30 10 IEEE Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1627942936 YZXHPQPXSDUOKB-UHFFFAOYSA-N 445.472 2.156 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1cccc(Br)c1 1630699033 QMBHICJEPBFIEN-AWEZNQCLSA-N 426.267 2.248 30 10 IEEE COc1ccc(C[C@](C)(CO)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1OC 1634012460 FEZRNDIKMRWVOI-HSZRJFAPSA-N 442.516 2.198 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(Nc4cccc(C#N)c4)C3)CC2)cc1 1634260160 TYRXAVFDXKKMKJ-KTKRTIGZSA-N 445.523 2.095 30 10 IEEE C#CC[C@@H](CO)NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1637989809 LJRRFMSUXYSOOJ-FQEVSTJZSA-N 429.561 2.436 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2ccc(O)cc2C1 1641163548 JHALURKNSCXHLE-UHFFFAOYSA-N 443.525 2.412 30 10 IEEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 1641702442 MGGYXEIICMAUCD-KRWDZBQOSA-N 440.504 2.358 30 10 IEEE CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854268 CJPVURSOZASQRL-VRXKTSEUSA-N 431.514 2.148 30 10 IEEE C[C@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1648469833 NXIQBKBPRDUWEX-LADGPHEKSA-N 442.510 2.257 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1649539894 SVLJFGZUBOSXNK-SBUREZEXSA-N 426.517 2.402 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)c1 1652884029 PWUPKBOXDKADON-HXUWFJFHSA-N 448.566 2.153 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(Br)c1F 1653725110 CKGHVGGYLKGLGW-VIFPVBQESA-N 430.292 2.091 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1655683541 GDIJGNPWMKPUER-YRVVQQKDSA-N 432.571 2.086 30 10 IEEE C=CCCn1cc(CN2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1657428898 OAVNCVIXJYGQDT-SFHVURJKSA-N 432.569 2.146 30 10 IEEE Cc1nsc(N2CCN(S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)c1C#N 1669501860 BYCHJEDQUCAVQK-UHFFFAOYSA-N 433.559 2.429 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3C)CC2)C1 1685177493 WDYYQUVTCCHALX-NHCUHLMSSA-N 426.561 2.022 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Br)cc1 1686919249 BXWIAGDICSGHGG-SFHVURJKSA-N 433.350 2.073 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1689937434 ZTWPJKZQAWVMBQ-JOCHJYFZSA-N 438.624 2.158 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689979431 AYIHABJZDWCMFZ-OAHLLOKOSA-N 438.500 2.385 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1689983521 CQMUMUALKUYILP-KRWDZBQOSA-N 430.530 2.347 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(C)(=O)=O 1690039346 BVABITACYGZHSB-UHFFFAOYSA-N 444.557 2.248 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)c1cc[nH]n1 1690096664 XFWQPWOWYWPMMU-UHFFFAOYSA-N 449.559 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2[C@@H]2C[C@H]2CCC)CC1 1690137987 OHXUHBPYXXWETD-DNVFCKCGSA-N 429.565 2.257 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690155014 COTSRRCXAVOGBT-IAGOWNOFSA-N 426.546 2.155 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1690572224 WXZVADYTBJKZSS-IIBYNOLFSA-N 431.562 2.308 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1690583463 LTGOPTXXVBAWPM-UHFFFAOYSA-N 444.561 2.461 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@H](OC)C1 1690662174 SZTCVYVDXVOTKM-SWLSCSKDSA-N 437.342 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1690668656 DGJRCWATPGPCLG-INIZCTEOSA-N 449.559 2.367 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)=O)CC1 1690680974 BQASREMGWPUTHJ-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)[C@@H](C)C1 1690859758 USDZUUODXMLIPP-SFHVURJKSA-N 440.548 2.338 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CC=CCO1 1692537831 DCSCLFJPNJMLBZ-PMACEKPBSA-N 436.516 2.211 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCC1(O)CCOCC1 1698242397 ZKMSVQAQOSNLIO-ROUUACIJSA-N 433.553 2.064 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(CC)CC)N1CCOCC1 1705475604 NMFOJOVPLNAIGD-AZUAARDMSA-N 430.597 2.109 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1705493046 BJXFHOLSFZQTNO-SESVDKBCSA-N 436.560 2.069 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705533644 PUJVIYWAOQNDRB-IAGOWNOFSA-N 430.553 2.336 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705567189 VPYLZIXGYZTDGR-INIZCTEOSA-N 442.932 2.064 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OCC)c2)CC1 1705634952 NHYGEKYRVCRMON-DEOSSOPVSA-N 439.560 2.132 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 1705662616 FFBBNVGDEURMRW-UHFFFAOYSA-N 434.591 2.279 30 10 IEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705689886 CKZHWBRKPQBDCR-INIZCTEOSA-N 426.359 2.261 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705735575 BAVDUYSHQZSSIT-IBGZPJMESA-N 430.597 2.271 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2F)CC1 1705782062 NVLXYTBLFVUSEN-IBGZPJMESA-N 449.552 2.201 30 10 IEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705821594 BNEWWGHZNFCAGA-UHFFFAOYSA-N 438.532 2.386 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705906485 HEIHYNCNSJXAQY-LIMIJEPZSA-N 439.560 2.373 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705910876 QNDXETGFGOZEOM-MJGOQNOKSA-N 443.548 2.270 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1705946950 VQLCQYADTVEJRM-DLBZAZTESA-N 443.639 2.157 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1706076551 FTNYBZGMWLWMHU-AVRDEDQJSA-N 441.605 2.068 30 10 IEEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1710102742 HTJBPOSQXUWIIK-GOSISDBHSA-N 428.562 2.335 30 10 IEEE CCOCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1710811563 SAKNNMBYNCSFSH-UHFFFAOYSA-N 433.472 2.178 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)CC1 1711355821 JZBRUQBVQFNFLS-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1722278971 NTAHLTPVASLQKY-ZDUSSCGKSA-N 431.342 2.265 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1722366109 POPGKFUSDBISMD-LJQANCHMSA-N 438.557 2.110 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCc2nccn2C1 1722377295 VYXOWUBCKJPVCC-GOSISDBHSA-N 430.512 2.494 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1722428918 LOEJFEFFYJFGOO-OAQYLSRUSA-N 439.560 2.203 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCCNC(=O)OC(C)(C)C)CC1 1722436048 ZYBIREXIEIKZAQ-UHFFFAOYSA-N 439.564 2.400 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1722508145 IAXIJQBEPZFJFY-AZUAARDMSA-N 426.521 2.134 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722545230 YMXODAZXVAWAGR-OAQYLSRUSA-N 439.907 2.384 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722559365 UAOUAWBEHFYPPM-AOIWGVFYSA-N 439.988 2.444 30 10 IEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1722739446 VQQGNXFXTFNHHY-MRXNPFEDSA-N 439.582 2.342 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730494301 DJHYOCMHLFQLFN-SJLPKXTDSA-N 444.511 2.027 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(N(C)C)CCOCC1 1730836099 BYFYMKFNVFGBCU-SFHVURJKSA-N 434.585 2.243 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740594691 ACBQYOSUNCCVKZ-UHFFFAOYSA-N 427.530 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(N2CCOCC2)nc1 1740604448 ZVHLFMSOXDQKRY-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740622626 FFNCCUMMDVHHTR-IRXDYDNUSA-N 441.557 2.478 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740623458 UORNCCHLCMRHEO-UXHICEINSA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740625687 SECYJXHLIFUTMU-MJGOQNOKSA-N 432.615 2.442 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1740631967 NTOJKVXIUOQUOS-DEOSSOPVSA-N 445.527 2.021 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOc2cccc(OC)c2)CC1 1740695683 AWBOIKKGPSQMFQ-HXUWFJFHSA-N 439.560 2.405 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2conc2COC)CC1 1740699760 SDKPACBJWMFENA-UHFFFAOYSA-N 436.516 2.103 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740704711 RXZPYZCKYSEMLW-FQEVSTJZSA-N 449.603 2.426 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 1740739252 QDJKRBFQIBWQLB-GHMZBOCLSA-N 442.330 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1740953376 DJBHNGGBKMQFGD-MRXNPFEDSA-N 432.956 2.058 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(N(C)C)CCSC2)C1 1740981940 RIMWRBMLNSXTLU-KNQAVFIVSA-N 428.606 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1740986948 LJZDGVODTQIRJI-OAHLLOKOSA-N 439.532 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C)C1 1740988681 MSZDYEGKLZZDSB-INIZCTEOSA-N 427.530 2.319 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1741994416 HBOVHTQEQMBRMQ-XMSQKQJNSA-N 443.573 2.381 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(CC(C)C)c2C)n1 1742712388 CXKSRUSQWKBCPE-FQEVSTJZSA-N 437.552 2.078 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(Br)n1 1747194153 BDXHRPHFGHJVQF-INIZCTEOSA-N 446.353 2.197 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCC(C)C)C1 1747442282 AHTHJTKIHSWSBX-IBGZPJMESA-N 446.577 2.007 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1748657871 KLRAECKDSQXHMM-OALUTQOASA-N 438.576 2.405 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1748670619 BAHUMXXAJGQKSL-ARFHVFGLSA-N 444.557 2.018 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1748672715 XECLJLXQCMKVAL-DOTOQJQBSA-N 430.509 2.389 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1748770994 DZIMCJMHFCLMEU-MRXNPFEDSA-N 431.924 2.390 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC[C@H](C(F)F)N1CCOCC1 1748831832 ZQIDKKTUNRFGHD-HXUWFJFHSA-N 443.498 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1748852367 CKGFKRRLJVDJNR-FQEVSTJZSA-N 430.556 2.391 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)C1CC1 1748903333 XJDDHOWHLZWJMF-UHFFFAOYSA-N 425.920 2.500 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1748906772 YJGRJSPJUYENOL-IRXDYDNUSA-N 448.568 2.013 30 10 IEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1749038106 OTMBRPRKQYJWAA-SFHVURJKSA-N 449.602 2.054 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1749040333 UOXRGQQNAVVDSC-UHFFFAOYSA-N 449.584 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1 1749060299 OESMCIJRMYFRKQ-JOCHJYFZSA-N 426.517 2.496 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CCCn1cnnn1 1751266695 SAYMJXLTSGQCDS-HNNXBMFYSA-N 425.472 2.374 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)COCCO1 1751303927 RRUHIDQHVHJXRV-HSZRJFAPSA-N 438.532 2.104 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1760125535 QWBBBBRTHTWLAN-CVEARBPZSA-N 440.552 2.394 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCN(CC)S(C)(=O)=O 1760168913 UNARQRMENJKSNY-UHFFFAOYSA-N 426.546 2.234 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOC2=O)cc1 1760250869 ROLKQGUOHAPBHQ-UHFFFAOYSA-N 446.511 2.355 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1760398347 VEJFZKSCDHBSFL-OFNKIYASSA-N 433.597 2.179 30 10 IEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1760852359 HFLPJVSYCRWVQS-MRXNPFEDSA-N 436.520 2.180 30 10 IEEE Cc1ccc(OC2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1761817877 RAYSMCLTHYEYPP-DQRAZIAOSA-N 436.516 2.469 30 10 IEEE Cc1ccccc1-c1nnc(N(C)Cc2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1762047627 OMNKXCDXPAFLJG-LSDHQDQOSA-N 444.499 2.206 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCCO2)n1CCCCCO 1763044642 RMLKZSOMRNHBJF-PKOBYXMFSA-N 440.552 2.059 30 10 IEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)OC 1765553594 DSBCJBPOJVHISK-LJQANCHMSA-N 433.516 2.288 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1 1766714348 AAHLAIFCROETEW-OAQYLSRUSA-N 441.561 2.276 30 10 IEEE CO[C@]1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1768208673 DWMJVPZSIGABDF-VXKWHMMOSA-N 442.495 2.395 30 10 IEEE COC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1769256493 HCTYGJCGMDEUBH-YADHBBJMSA-N 448.527 2.375 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC[C@@H]2CCCO2)c1 1770746136 KDDSIOJAKDZKOC-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCn1cncn1 1771178870 IVCNOFMNSDVTKH-SFHVURJKSA-N 448.531 2.459 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1771535685 VPRBWIYIMWIDTD-IBGZPJMESA-N 445.518 2.360 30 10 IEEE COC(=O)c1sc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1NC(=O)C(F)(F)F 1772794869 ZFMHSBNODHDBMQ-UHFFFAOYSA-N 442.327 2.404 30 10 IEEE Cc1nnc2c(N3CCC(NC(=O)c4cn5cc(C#N)cc(Cl)c5n4)CC3)nccn12 1851859518 KUAWOYRSLHBUDK-UHFFFAOYSA-N 435.879 2.004 30 10 IEEE COc1ccc(Cn2c3c(c(C#N)c2NC(=O)C2CN(S(C)(=O)=O)C2)CCCC3)cc1 1852208598 LRYDDQLLDPDWRZ-UHFFFAOYSA-N 442.541 2.125 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)CC2)c(Cl)c1 1852491384 PDVATRRGXPICLU-UHFFFAOYSA-N 434.887 2.179 30 10 IEEE COc1ccc(CCN(C(=O)[C@@H]2CN3CCN2CC3)c2snc(Cl)c2C#N)cc1 1852496534 BMQPWNNZTLKDST-KRWDZBQOSA-N 431.949 2.252 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC(Cn4nccn4)CC3)C2=O)c1 1855214895 VDGUJJKEQQINAJ-IBGZPJMESA-N 426.908 2.151 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nc3ccccc3s2)C1)[C@H]1CCN(C)C1=O 1857074369 HXFKPXYHXMNWHA-WBVHZDCISA-N 426.542 2.394 30 10 IEEE CC#CC(=O)N1CCC(c2nc(C)ncc2C(=O)NCCc2cccc(C(=O)OC)c2)CC1 1857518195 YRIXTLNJJRZHRL-UHFFFAOYSA-N 448.523 2.273 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(OC)c(O)c(OC)c1 1862565334 VKWHTBNGRFLWDE-GOSISDBHSA-N 428.441 2.216 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc1O 1862629637 AISBEBFZVDBUQL-LJQANCHMSA-N 427.409 2.090 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862683916 WGZAVUARPNRHFN-SFHVURJKSA-N 443.387 2.154 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(N(C)C)cc2)c1 1862701610 JLOKTCUHJSDYPC-NRFANRHFSA-N 437.496 2.476 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 1862749411 XQBOLAASOQFMFX-SFHVURJKSA-N 427.388 2.448 30 10 IEEE COc1cccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)c(C)o2)c1 1866673752 MCNXWOUQOHWFMI-FQEVSTJZSA-N 434.452 2.189 30 10 IEEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1870144366 ZYACKXDYGWYDQC-UHFFFAOYSA-N 443.467 2.220 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(-c4ccncc4)c3)CC2)CC1 1889584391 JBCMHSTXXQLMTC-UHFFFAOYSA-N 447.583 2.406 30 10 IEEE C[C@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634347 YNGWDEXRLCWJNZ-YEJXKQKISA-N 432.330 2.265 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(=NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH][nH]1 2063194488 CAGPPSZXVJDGPE-UHFFFAOYSA-N 429.330 2.163 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2098184660 BDWSFEWDAVKRIX-LLVKDONJSA-N 434.165 2.430 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)cn1 2174789549 RSZVUHIPFZVZDK-IBGZPJMESA-N 426.498 2.423 30 10 IEEE CC(C)(C)OC(=O)NC1(CO)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2224094774 NYQQAOKJOAXJNY-UHFFFAOYSA-N 433.358 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2247833064 AGDXVVTUTIGLIC-FKIZINRSSA-N 435.355 2.182 30 10 IEEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248405084 RCFBRUJNMFEOON-NSHDSACASA-N 425.266 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@@H]2C1 2254810140 TXGIDNBPVLKTKB-IAGOWNOFSA-N 431.342 2.205 30 10 IEEE CCn1cc(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255818243 IKWWCBPRKJLRST-CQSZACIVSA-N 436.362 2.187 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255832458 MMMMIDWPYHZKKP-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2259932258 YYERERFEJAQVIX-PEBXRYMYSA-N 431.342 2.301 30 10 IEEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267090219 CAOQOOPRHWKAPX-GOOCMWNKSA-N 446.357 2.369 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267130122 KHDDRDDNMJQKKI-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(CC2CC2)C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267144709 AQKDQUFJFYITAB-UHFFFAOYSA-N 446.357 2.180 30 10 IEEE CC[C@@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)Cc1ccccc1 2267265637 INTFJUFWSLEJQM-QHCPKHFHSA-N 441.385 2.145 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267270293 KOLYPHUXSCZCMP-SFHVURJKSA-N 446.353 2.352 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267495252 ZENLUFORIGOWBH-HOTGVXAUSA-N 448.373 2.285 30 10 IEEE C[C@H]1[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCCN1C(=O)OC(C)(C)C 2267501542 ZCWUWLNDALBICN-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267519677 IDVCMAYXZJRPQO-ZFWWWQNUSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2267595889 YEXULROLZLTCFK-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267596535 KCIFNGITGGCHDA-DLBZAZTESA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1O)C2 2267806474 XMNAGRZVTQLPPF-PSLXWICFSA-N 444.337 2.431 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879821 LXIBNKDHPBAUOK-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268631043 SCIBULIKRNKLJY-HUUCEWRRSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268711144 QSESSKHRCWXSMU-INIZCTEOSA-N 447.341 2.345 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315609741 VDJOUDJPULFENQ-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE COc1cccc(C=NNC(=S)NCCN2CCOCC2)c1OCc1ccccc1 2323044242 UFUOVOUHVHTDMK-UHFFFAOYSA-N 428.558 2.404 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2337291742 JQFBGRVGQXZXOZ-CABCVRRESA-N 448.373 2.143 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2337297146 RTEQFJWVAZKNAE-GASCZTMLSA-N 448.373 2.143 30 10 IEEE Nn1c(N/N=C/c2ccc(Br)cc2)nnc1SCC(=O)Nc1ccccn1 21315854 GVBXKMBOMOZUGI-AWQFTUOYSA-N 447.322 2.326 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N 21319817 ZPNUYKPEVVHVAQ-KEBDBYFISA-N 442.461 2.086 30 10 IEEE C#CCN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CCS(=O)(=O)C1 111046987 MGTXUPQYZXWAJF-CYBMUJFWSA-N 425.482 2.149 30 10 IEEE N#Cc1ccc(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)=C(N3CCC[C@H](CO)C3)C2=O)cc1 169981483 PURCXOKCDBGODX-INIZCTEOSA-N 432.436 2.455 30 10 IEEE CC(C)N[C@@H](C#N)CCn1cnc(I)c1I 304450909 VSBYEJBQZQVXAL-MRVPVSSYSA-N 444.058 2.373 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 409492411 QCAQPPASBANOMY-OALUTQOASA-N 430.521 2.185 30 10 IEEE C[C@@H](C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409718301 GHWIBRFCSKOHGK-AWEZNQCLSA-N 447.337 2.133 30 10 IEEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 426839586 DLPPEKIOCLQOMX-UHFFFAOYSA-N 433.921 2.042 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(C)C 440400965 VASRTJZICZSUTC-UHFFFAOYSA-N 433.489 2.425 30 10 IEEE CC(C)CN(C(=O)COc1ccc(Br)cc1C#N)[C@@H]1CCS(=O)(=O)C1 468911755 IWLGZQDVERJFPW-OAHLLOKOSA-N 429.336 2.371 30 10 IEEE CN([C@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)Cc1ccc(C#N)cc1F 480704980 FHMUAGSOPAZZBD-INIZCTEOSA-N 440.294 2.448 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 508477198 JUJYDXWOEQDRGP-FQEVSTJZSA-N 425.533 2.393 30 10 IEEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 511977557 IDVVZKKRPJGKPW-MAUKXSAKSA-N 430.505 2.297 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C#N 512721218 STWLFAQWBVLOLX-UHFFFAOYSA-N 445.548 2.495 30 10 IEEE Cc1cc(C)cc(OCC(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513788016 JLUNVWAOWVZKCL-UHFFFAOYSA-N 441.553 2.172 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OC)c1=O 522109352 LQDFBGJOJGSKSY-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 523580407 ZTTCEFMADKJPSY-HNNXBMFYSA-N 431.583 2.226 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(=O)(=O)NC1CC1 545515255 UNQZJVWUUQSODH-UHFFFAOYSA-N 440.529 2.057 30 10 IEEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 555249728 YXKHSCUAITWVFH-UHFFFAOYSA-N 449.559 2.470 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2Cc2cccs2)cn1 555441498 XLVBMSCSXIAHLJ-UHFFFAOYSA-N 431.529 2.382 30 10 IEEE Cc1noc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCCO3)CC2)n1 559219596 KCHIJIQDAYCASC-FQEVSTJZSA-N 448.531 2.400 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC#N)Cc1ccc2c(c1)OCO2 586152377 JPXRZGBVSBCDHZ-UHFFFAOYSA-N 443.481 2.265 30 10 IEEE C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)o1 610487200 JDMURLXPWXTJDG-BEFAXECRSA-N 445.544 2.456 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 614999900 RPVVOWABHBRROW-QGZVFWFLSA-N 446.529 2.247 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 669808984 SBVVSWAQMADFQX-GOSISDBHSA-N 444.561 2.111 30 10 IEEE Cc1occc1C(=O)NC1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 727426496 SBXFHPWEYWGVBD-UHFFFAOYSA-N 435.484 2.076 30 10 IEEE CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732703761 KHTGKUTXBSOINH-KRWDZBQOSA-N 448.365 2.179 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(Cl)nc(N(C)C)c2)cc1OC 733678847 LQXDROMGDRTWBU-HNNXBMFYSA-N 430.892 2.500 30 10 IEEE COc1ccc(COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C#N 747055877 ZLGPDFFFKNDZFL-GOSISDBHSA-N 445.453 2.372 30 10 IEEE C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O)c1nc(C(=O)OCC)cs1 749126631 PUMZZUUSOFYPRI-UHFFFAOYSA-N 449.510 2.317 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1 751510025 MOSLFQHKNIKCPQ-ZBFHGGJFSA-N 441.303 2.427 30 10 IEEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCC1 756912215 LVTJNKWEZKJBIY-UHFFFAOYSA-N 439.965 2.177 30 10 IEEE CO[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757528319 IIVNQJWANZFVAF-NYHFZMIOSA-N 436.464 2.133 30 10 IEEE C=C[C@@H](CC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 759017137 YATINDGRAFNDBG-ZDUSSCGKSA-N 429.322 2.387 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 765278620 KNXBMTVKGJXGTA-CVEARBPZSA-N 440.525 2.229 30 10 IEEE Cc1cc(N2CC[C@@H](ON=C(N)c3ccc(CNC(=O)OC(C)(C)C)cc3)C2=O)n(C)n1 769841759 JCDKLHXKEMWDGX-QGZVFWFLSA-N 442.520 2.196 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)/C=C\c1ccccc1Br 780752825 ZULMEVBXBZVGDE-YHYXMXQVSA-N 438.307 2.293 30 10 IEEE N#C[C@@H](C(=O)/C=C\c1ccncn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 781450807 VGYYLNHHRVCTHD-FQQSSWHASA-N 439.497 2.012 30 10 IEEE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 787057339 VJZNZEHHMQXZLN-SFTDATJTSA-N 434.452 2.456 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)n1 788813720 QFSDHAORXVDGTK-KRWDZBQOSA-N 426.542 2.266 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 794610085 XSHNISMHKKIFGZ-MRXNPFEDSA-N 431.517 2.292 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2)c1 795366846 KXLDXYCWUNNFIG-UHFFFAOYSA-N 427.501 2.280 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 795820633 WPTBTOWAFVRZGR-OAQYLSRUSA-N 444.491 2.205 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 796378335 PKWWHUNXTSCUSI-WYLKDTAPSA-N 446.548 2.349 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804162950 XNYDIOBYTQVTGD-UHFFFAOYSA-N 430.480 2.387 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813745781 LTUIHBRGTOPCCF-NSISKUIASA-N 434.562 2.350 30 10 IEEE CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)cc3OC)n[nH]2)cn1 1084125271 NTOICTYDLJSMCA-UHFFFAOYSA-N 430.494 2.215 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3cc(F)cc(F)c3)CC2)cc1 1136149769 YGTFYXBLCDQLHS-UHFFFAOYSA-N 441.406 2.461 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NCCNc3ccc(C#N)cn3)=NO2)C1 1136174145 CGAUFQYMQBJTAJ-OAQYLSRUSA-N 428.493 2.027 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1151411722 HZSQSABTBLHXAB-OPAMFIHVSA-N 430.505 2.312 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)n1 1156617853 FDSUURFYXSMXEA-UHFFFAOYSA-N 439.516 2.498 30 10 IEEE Cc1ccc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)cc1S(=O)(=O)NCC#N 1156633195 WOFQDOJZQMFKEI-MRXNPFEDSA-N 441.431 2.279 30 10 IEEE C#CCN(C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1158447041 CRAXJNHWPPKALR-QFIPXVFZSA-N 431.492 2.393 30 10 IEEE CC(=O)N1CC[C@H](CN(C)C(=O)Nc2ccc(C#N)cc2I)C1 1209247703 SCKZCRBGEKYWQM-CYBMUJFWSA-N 426.258 2.495 30 10 IEEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1211840813 YQBNDCWSUYVLTN-LLVKDONJSA-N 425.334 2.066 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@]4(C)NC(=O)N(C)C4=O)cc3)cc2C1=O 1277442955 GRHIXKJWTDLDAW-QHCPKHFHSA-N 432.436 2.118 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286393536 LKGIMLBGVWSBGL-HXUWFJFHSA-N 433.622 2.438 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1286395825 SNKDAGONAMFNNU-DLBZAZTESA-N 426.608 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2cc(C)nc21 1286419092 MSYIUEYXWNCRMT-LJQANCHMSA-N 442.527 2.471 30 10 IEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)CC1 1286501071 LSDYUTWRFYUUIP-UHFFFAOYSA-N 443.573 2.434 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1286762857 OBUIWUGFSGOFLA-QGZVFWFLSA-N 449.577 2.069 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccc(C#N)o1 1288130614 YQBZDEZRRRVDEI-OAHLLOKOSA-N 441.536 2.060 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CCO1 1288351955 BTXDFFBBQHBLMC-RQZFFVEVSA-N 443.573 2.358 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1288897650 ACRQCASJGKQJNO-AVRDEDQJSA-N 443.573 2.218 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1288964808 HIVVGAQLWOSPQL-HOTGVXAUSA-N 444.511 2.448 30 10 IEEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1293676807 XLOXGCQZZRSSBP-JXCVUKRWSA-N 431.504 2.315 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc3c(c2)C(=O)NCC3)C1 1296183986 SCKGJWYQJUFQMC-UHFFFAOYSA-N 439.313 2.359 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCN3CCOCC3)[C@@H]3CCSC3)n[nH]2)c1C 1298701014 WBFPSYPIEJSSSD-GOSISDBHSA-N 444.605 2.356 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C[C@H](CC#N)c1ccccc1 1299862882 AFBKEHLSORWANJ-KRWDZBQOSA-N 430.486 2.419 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1300302721 DCGOJDLFCFZJIT-YLJYHZDGSA-N 449.559 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300302989 GVWDZBCJMBNJSJ-QAETUUGQSA-N 430.553 2.333 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 1300410227 MFMMPOZQIPIDGB-KRWDZBQOSA-N 437.591 2.112 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccco1)N(C)C 1300459918 KLVNANZPVNEAQZ-QGZVFWFLSA-N 441.561 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCO[C@H](C)C1 1300527099 BMFHEBIHVFNZCX-MOPGFXCFSA-N 444.539 2.470 30 10 IEEE CCN(C(=O)c1ccc(C#N)n1C)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1300912228 XFOSRFYSNWTSOX-MRXNPFEDSA-N 431.537 2.217 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1)C1CC1 1301327071 LXXYIWXDINNSQG-MRXNPFEDSA-N 435.594 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCSC1 1301483218 KSTARZLPUXKAIA-CYBMUJFWSA-N 439.383 2.290 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1301499901 GPCFBJSPNKTPDW-AZUAARDMSA-N 447.580 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1301579444 RUFOVVREWDGKGC-UHFFFAOYSA-N 441.561 2.491 30 10 IEEE COCCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1301813182 PFYVZFZDBCUMAM-FQEVSTJZSA-N 434.500 2.438 30 10 IEEE COCCOCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1302211483 JJYODJVNJPKIGK-OAQYLSRUSA-N 431.468 2.211 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1302565498 BOXLCRFWJGTDER-UWWQBHOKSA-N 426.546 2.195 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1302617776 IZIKFXBZNUXMLD-UHFFFAOYSA-N 437.424 2.294 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccnc2Oc2cccc(C)c2C)CC1 1310164116 BROWYYKVPOPKHE-UHFFFAOYSA-N 443.529 2.108 30 10 IEEE COc1cc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)ccn1 1350733500 FALBMDCBSQQLGV-PTGBLXJZSA-N 432.502 2.058 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccnc(-c3ccccn3)n2)c1 1351600270 GMWQIQNIAMIZFN-UHFFFAOYSA-N 427.464 2.026 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1358886119 XVQRBRBDQMWXBM-FOVZNYCQSA-N 429.484 2.411 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCN1C1CC1 1358941228 BRFHOUHBJSMXBA-LJQANCHMSA-N 427.574 2.435 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN(CC)CCC(F)(F)F)CC1 1359033991 YGCMLTIUKVRBCH-UHFFFAOYSA-N 437.514 2.313 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](C)C1 1359070942 YMQZAOZLCJOQFU-RYLXDESZSA-N 435.594 2.039 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359174717 MVWRYMPVZOZBCP-WIYYLYMNSA-N 438.594 2.156 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359188953 XNBCIDOGVKPGBK-RBUKOAKNSA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359293943 FKMJGHRFABHMMF-ROUUACIJSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(C)C)CC1 1359294454 UGSPBRVBTNXHQX-UHFFFAOYSA-N 448.575 2.415 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C2CCCC2)CC1 1359302258 APUVLHBCKNWJKC-UHFFFAOYSA-N 443.621 2.391 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2cc(C)oc2C)C1 1359312643 YNSXAKDTEVGHTD-VGSWGCGISA-N 431.537 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1359328144 UWNAZSRFJSNPLB-OAHLLOKOSA-N 433.534 2.341 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1359571644 OINCINHKTRYHTF-KRWDZBQOSA-N 439.520 2.043 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 1455097243 SJQXRVYPQMFWFH-YTQUADARSA-N 446.326 2.054 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cc1 1468955004 HDRHOKFSWWKHDR-QFIPXVFZSA-N 439.493 2.129 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1475468077 GEFGUCSGTLOUMD-IRXDYDNUSA-N 428.562 2.293 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1 1475469887 HLTWMXQINLZKPS-UHFFFAOYSA-N 444.575 2.194 30 10 IEEE COCc1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1504639762 URNDPZKRKFLFNW-QRFRQXIXSA-N 445.495 2.065 30 10 IEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1504668917 DIKNEXKDHLNFTQ-PZJWPPBQSA-N 441.532 2.397 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1504829471 JALFXINRZAUXSH-PMACEKPBSA-N 427.505 2.149 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2CC(=O)NCC(F)F)cc1 1505314736 ACMVWPNAXNNIBZ-SJORKVTESA-N 430.459 2.346 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1507520731 GOFYHNBITGIRCC-CYBMUJFWSA-N 429.431 2.216 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nnn(C)n1 1507664177 OQLJLTPAISQHGW-UHFFFAOYSA-N 439.321 2.051 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCOC1 1507772724 SZEMFRLMQOJABI-PKTZIBPZSA-N 426.517 2.399 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)OC)CC1 1507791173 IRELGXYKIHTRCD-GJZGRUSLSA-N 443.342 2.300 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507905272 VXFIFDZBRYRSIM-BWVDKLOVSA-N 426.521 2.449 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1508087436 QXSXTZSUBSUIGY-LJQANCHMSA-N 425.464 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1508145477 MIINYRHPULSZAB-OAHLLOKOSA-N 437.532 2.150 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1512579382 HAKFGHMSSUSPIC-SBUREZEXSA-N 441.532 2.131 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1518748211 HXPQJQMYHWXECJ-RBUKOAKNSA-N 428.512 2.355 30 10 IEEE COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1526935712 QFUQBKQXZBNQFS-CQSZACIVSA-N 430.461 2.345 30 10 IEEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1529441369 QLFVNWYHMMTQIS-WBVHZDCISA-N 435.546 2.461 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(OC)c(C#N)cc3F)C2=O)cc1 1530181710 IIWSRLLPQBYFRO-NRFANRHFSA-N 426.404 2.120 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)C1=O 1533266267 NVXJDIJEYYJZAJ-INIZCTEOSA-N 442.472 2.114 30 10 IEEE CO[C@]1(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CCS(=O)(=O)C1 1538274100 KDHUIPLNEOWDCZ-NRFANRHFSA-N 430.530 2.014 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)N1CCOCC1 1539078629 BHFLYNNFUJTIFG-UHFFFAOYSA-N 434.544 2.380 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCCC1 1539178576 IQOHOYUTZZVNAR-IRXDYDNUSA-N 433.603 2.148 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1539186293 QICYEYBJJRCSTK-QHCPKHFHSA-N 441.601 2.155 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCc2cccc(C)n2)CC1 1539427794 IYBUFIPMRLJEEU-UHFFFAOYSA-N 437.592 2.288 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1539669668 SKBWGWSETYCYCJ-HNNXBMFYSA-N 437.532 2.467 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539721729 FFXNOOZLHJYJNL-LJQANCHMSA-N 442.568 2.157 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCN(C)C1 1540182018 GCBFEFFYRGJDAN-RUZDIDTESA-N 449.603 2.441 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1540276250 YQSSFRRVLUAUOV-UHFFFAOYSA-N 440.565 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccccc2F)C1 1540893010 VFPSVZPBFNKREH-IRXDYDNUSA-N 429.496 2.132 30 10 IEEE CC(C)OCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1541757665 GHESTXXESGTGLY-PKOBYXMFSA-N 440.552 2.321 30 10 IEEE C#CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H]1CCS(=O)(=O)C1 1545062792 PRKBLIAIKLJVBB-CVEARBPZSA-N 435.546 2.062 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1545156133 DKVFIPLMDGLWMI-NYAYQYMKSA-N 439.545 2.197 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(C#N)o1 1548004013 UFDHUUXJDVAUIO-UHFFFAOYSA-N 436.472 2.047 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1552456536 NGHVAASRFQQBHT-KKIUXKEOSA-N 442.589 2.172 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1 1554136716 DRFHQSKFNAFTBO-UHFFFAOYSA-N 448.575 2.393 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556289498 YVNJMVHVCCUZDT-LJQANCHMSA-N 432.473 2.369 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(CC(=O)Nc3sccc3C#N)CC2)C1 1559972988 BQAKDERHYWDOKH-OAHLLOKOSA-N 432.546 2.213 30 10 IEEE COC(=O)C[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1566137791 PBRFNUYEQZVNNG-FXAWDEMLSA-N 443.500 2.183 30 10 IEEE COc1ccc(C)cc1CN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1587357190 MDBPWYATYGDSTH-UHFFFAOYSA-N 445.516 2.398 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@]2(N(C)C)CCSC2)c1 1587694037 ZQUDQJIAOGAFIE-QFIPXVFZSA-N 426.590 2.334 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587847009 AMKCJPRBTKKIMO-PGRDOPGGSA-N 435.576 2.051 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588075135 YPVASMFTHMTYKF-WOJBJXKFSA-N 449.621 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)nc1 1588218876 GFWNKUBTZKFCRS-UHFFFAOYSA-N 437.507 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCOCC1 1588672359 DDHYGYBFXBWAKS-UHFFFAOYSA-N 432.594 2.138 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCNC(=O)C(C)(C)C)CC1 1588791194 OVWDFDRLBRQXCH-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC=C(COC)CC1 1589109562 FWSCGPHFPXRHFJ-UHFFFAOYSA-N 431.587 2.419 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1589216643 UEFPXFHBCXUQLF-DYESRHJHSA-N 435.594 2.205 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCS(=O)(=O)CC 1589529979 RENJPWAYMRCOEY-BZSNNMDCSA-N 426.583 2.024 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCS(=O)(=O)c2ccccc2)CC1 1594008949 BCFDECGDIAZLLU-UHFFFAOYSA-N 431.562 2.437 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1594070963 TWPDINDZDJOGDQ-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC=CCO1 1595275820 PVAFOFVEYHZRED-GOSISDBHSA-N 432.546 2.333 30 10 IEEE C=CCN(C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1597170231 HEDDASNNRKQDSU-CVEARBPZSA-N 430.567 2.340 30 10 IEEE C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1611500815 XLGXOCTWRSTVED-CQSZACIVSA-N 448.487 2.338 30 10 IEEE Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1612225393 BHJBZOZLBMLRMY-UTKZUKDTSA-N 428.562 2.256 30 10 IEEE Cc1cccc(OCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1612252357 IFYMUQSBWZPLCK-OFNKIYASSA-N 441.532 2.435 30 10 IEEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1612449365 DBGIPPBYZZQXBM-HOTGVXAUSA-N 441.561 2.280 30 10 IEEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1617192979 ZVZQKJUFCAETAS-SFHVURJKSA-N 429.546 2.257 30 10 IEEE COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1619599446 GRCLFUXQNKUFAM-HXUWFJFHSA-N 435.532 2.128 30 10 IEEE N#CCc1ccc(OC[C@H](O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1620622493 SFMJWDMPRGTDPX-HXUWFJFHSA-N 429.542 2.019 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 1622151718 FTQQTDAISIEEPA-UHFFFAOYSA-N 448.566 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3ccccc3C#N)CC2)C1 1626423115 ZXSPNTFLVVYEAT-FDDCHVKYSA-N 426.517 2.233 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3n[nH]cc3I)C2)c(F)c1 1629950971 IVSIITLZJJZNSU-SNVBAGLBSA-N 425.205 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC1CCS(=O)(=O)CC1 1630087130 XSQHRMYJSWUJLE-GOSISDBHSA-N 433.530 2.086 30 10 IEEE CNS(=O)(=O)c1ccc(C)c(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1630213729 XMQCYDVQAUGTAX-UHFFFAOYSA-N 435.546 2.492 30 10 IEEE C=CCc1cc(CNC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc(OC)c1OC 1630469450 WXVTWQBTRJOURN-UHFFFAOYSA-N 445.541 2.348 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](C3CC3)C3(CO)CCOCC3)C2)C1 1631437106 SMKUWVARIIDULA-GIIQAUJJSA-N 447.576 2.457 30 10 IEEE N#Cc1cc(NC(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)ccc1N1CCC(O)CC1 1631610411 KWIQEHWHKZGUTF-RUZDIDTESA-N 434.540 2.485 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 1631704087 DEWCFRUAOHOFCT-HXUWFJFHSA-N 439.537 2.264 30 10 IEEE CC1=NNC(=O)[C@@H]1CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1632758878 XIUJFHPMZRXABY-AEFFLSMTSA-N 425.489 2.021 30 10 IEEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CC1 1635159942 FQUBUVWXUKXNRE-UHFFFAOYSA-N 431.602 2.425 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1636238345 FHPPRUHWGZDKGR-WMZOPIPTSA-N 428.537 2.478 30 10 IEEE CN(C)c1ccnc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1638389536 BZMYVBATXTWMRQ-UHFFFAOYSA-N 429.546 2.063 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@H](CO)Cc4cccc(F)c43)C2=O)cc1 1639583777 KCGMCCLMBIHREN-DNVCBOLYSA-N 436.443 2.100 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)[C@@H](O)c1ccc(C#N)cc1 1640777138 YPNVPTJXDKHHQT-LIRRHRJNSA-N 433.302 2.330 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(C)OCCc3sccc32)s1 1641927517 HBVJWJUXXNPVCO-GOSISDBHSA-N 426.585 2.421 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)c1 1643313287 ZOLBRNSPHIWGAX-UHFFFAOYSA-N 430.482 2.278 30 10 IEEE COc1ccc(Br)cc1[C@@H]1NC(=O)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1=O 1651830826 DQGCKWWNIBNCAF-YJBOKZPZSA-N 437.294 2.105 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)nc1 1652328180 BHSFZEIASUDCJH-IBGZPJMESA-N 439.541 2.454 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1652927096 ACKORKXLEJRLFJ-UHFFFAOYSA-N 445.520 2.328 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(Br)c1F 1653725109 CKGHVGGYLKGLGW-SECBINFHSA-N 430.292 2.091 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1681941510 AWDGQBZNYSBKBC-LJQANCHMSA-N 428.558 2.353 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1689903988 GUBNPUHZWAPRLG-UHFFFAOYSA-N 448.527 2.326 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1690206105 HQJZJFKWNSRMEI-ZRCGQRJVSA-N 442.585 2.430 30 10 IEEE C=C(Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1690323883 CAHFZGLICGXEKQ-NHCUHLMSSA-N 433.512 2.338 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)CC1 1690364113 JUJCJKVLRBKVOR-ZWKOTPCHSA-N 444.605 2.496 30 10 IEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690510995 LZSMADKTBKDCDT-HSZRJFAPSA-N 436.516 2.180 30 10 IEEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1691211065 FJHQIJPODHLUTF-LZLYRXPVSA-N 432.569 2.230 30 10 IEEE CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696231283 UALQGDGBZNPRDU-OAHLLOKOSA-N 426.521 2.380 30 10 IEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)cn1 1696607036 HLZLHCKGCPQAKR-UHFFFAOYSA-N 430.516 2.028 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)C1 1697044975 HWNFONMTIIPCBP-AZUAARDMSA-N 439.516 2.259 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CC1 1698491443 BVLCXEUVKXQVAU-UHFFFAOYSA-N 446.552 2.174 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1698491779 NVCQVZKLEVENQM-QZTJIDSGSA-N 438.523 2.268 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705525315 DKCSDNSFGNMEST-WBVHZDCISA-N 430.578 2.167 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](Cn3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1705538962 FZZRRMUMFUHNEB-NFBKMPQASA-N 441.580 2.469 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1705563920 HVRSMJSMCVHVCN-XQBPLPMBSA-N 443.573 2.315 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705566090 XOUYDARJOXAVRR-YZGWKJHDSA-N 428.558 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCn2ccnc2C1 1705590211 FMTHZYODCFOZFA-GBXCKJPGSA-N 436.560 2.241 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCSC2)CC1 1705636347 GPWMSSDKDNHMPM-HXUWFJFHSA-N 435.956 2.361 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1705638062 WPCARKLVCXYBOH-HXUWFJFHSA-N 430.560 2.011 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2cccnc2)CC1 1705642816 IHVBBPIVUIJPDT-UHFFFAOYSA-N 432.528 2.259 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCCCC2)CC1 1705642921 MJEBSIMFWDVJGI-UHFFFAOYSA-N 438.576 2.107 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C 1705667606 XVNOGYUSFSBSPI-DFXYEROKSA-N 428.562 2.465 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1705799438 WTEQYXVDSOVXBM-YLJYHZDGSA-N 426.583 2.252 30 10 IEEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1706698800 PCZZHWNGOZXKCH-UHFFFAOYSA-N 448.531 2.219 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1 1711880970 ZVQXPPLFXHYUIS-RXVVDRJESA-N 431.468 2.113 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OCCC[C@H]4C3)n2CCOCCCO)cc1 1712880243 BXPQWJNMDAFLLW-PZJWPPBQSA-N 441.532 2.133 30 10 IEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1722319348 MCFIMVOVWQGJOE-QGZVFWFLSA-N 430.553 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cnn(CCOC)c1 1722376427 OEUYEWBTCLKNCX-UHFFFAOYSA-N 440.511 2.299 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722381250 LUCNRHCYLUUEPP-QZTJIDSGSA-N 439.482 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722400493 RAGXZPLADZGGLP-SFHVURJKSA-N 443.548 2.276 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1722434507 TWJFTMLTSHVZDP-UHFFFAOYSA-N 434.454 2.348 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(N(C)C)CCCC2)CC1 1722445876 ZWMKHIAZHQCXRP-UHFFFAOYSA-N 435.576 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCCC[C@@H]2CC)CC1 1722451154 YOWIUQMIAKAGFG-LEWJYISDSA-N 442.608 2.360 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCC(=O)NC 1722455483 UMASYHGRJXDFPR-UHFFFAOYSA-N 429.546 2.045 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722528583 KPQGJLCATVBQIE-UHFFFAOYSA-N 437.566 2.299 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722534561 RMCIMNIWEFRCGN-GOSISDBHSA-N 434.562 2.094 30 10 IEEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1722675462 QXLLRQJYIZRZPG-INIZCTEOSA-N 449.602 2.415 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1722677104 UDPPDXKHJMHQFR-SFHVURJKSA-N 449.577 2.239 30 10 IEEE CC(C)CSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1723507823 WDEDVYUHCUUWFF-OAHLLOKOSA-N 428.628 2.408 30 10 IEEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1724122577 GLVVKDIOZKDNBN-UHFFFAOYSA-N 446.558 2.175 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1724872032 ZELXIDLOXOBOFE-UHFFFAOYSA-N 429.484 2.427 30 10 IEEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1730514507 BCGUSKAOSCLOGO-OXJNMPFZSA-N 439.557 2.219 30 10 IEEE COCC1(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CCOCC1 1730519843 QUVBTOPLGNPCPG-AVRDEDQJSA-N 435.569 2.358 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1740605781 WWKOFESIAZUWHV-GOSISDBHSA-N 426.565 2.058 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCCN(C)S(=O)(=O)CC 1740631920 YMPOVKKDUKQYCY-UHFFFAOYSA-N 433.965 2.343 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1740640913 ZCIHVMHSYATVIF-RBUKOAKNSA-N 443.548 2.086 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC(=O)N1 1740675888 KVFBMLNSARSHLQ-LJQANCHMSA-N 440.523 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCn2c(O)nc3ccccc32)CC1 1740702439 OWTPPOOVSBQOTA-UHFFFAOYSA-N 435.532 2.123 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1740730352 YAHLXSYDMXQHSF-HXUWFJFHSA-N 432.521 2.016 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(F)cc(C)c2C1 1740952759 MWMGBEVWGLAESE-INIZCTEOSA-N 431.512 2.315 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)cc1 1740966006 ODOTTYLBQNQGBQ-OAHLLOKOSA-N 437.591 2.055 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1740986547 ACJGVHBXDAJONJ-UHFFFAOYSA-N 435.506 2.143 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(c2ncccc2F)CC1 1740991034 MQJSQHTVSROGRS-UHFFFAOYSA-N 448.568 2.397 30 10 IEEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCO1 1744248499 HCVYGOYSGSNQTE-FQEVSTJZSA-N 429.546 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1748673280 FCEUXYNXJFZKMU-KSZLIROESA-N 433.553 2.471 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1S(C)(=O)=O 1748686201 KTOWOBZKTHPTFW-PKOBYXMFSA-N 445.589 2.301 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)CC1 1748750933 RTOYFCKBDMAYGJ-UHFFFAOYSA-N 435.594 2.375 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OC 1748772476 WIKFQMYCDOJLDL-UHFFFAOYSA-N 439.545 2.068 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NC(C)C 1748831589 QTJKFVVFRJNCNV-UHFFFAOYSA-N 432.297 2.444 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)CC1 1748984745 ZIAZFVMYAFBYKA-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2CC(F)(F)C2)CC1 1749005399 VZXMBECBVGPUJE-HNNXBMFYSA-N 439.507 2.013 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC[C@H]1C 1749197315 WNQYBCINFFWQCL-APWZRJJASA-N 446.577 2.006 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749228696 BVHARDRGZZOLOS-MRXNPFEDSA-N 445.486 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749658923 YLGHVVXCXKCJJA-INIZCTEOSA-N 445.955 2.037 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749721498 LXVALOLQTZOLJO-UHFFFAOYSA-N 437.610 2.374 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749736314 IFNCTSAPQXNZFG-PXNSSMCTSA-N 448.589 2.340 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1750075242 BYEOTNYIKNIPBJ-FUHWJXTLSA-N 428.512 2.266 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CC[C@@H](C(F)F)N2CCOCC2)cc1 1750383088 OMRWYSPUQYSGLZ-IBGZPJMESA-N 446.502 2.399 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750561661 YCORPPAEBBTTBZ-GOSISDBHSA-N 439.539 2.423 30 10 IEEE C[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)Cc1ccccc1 1751110057 ADZJRDQQLVBDGI-NQIIRXRSSA-N 434.548 2.318 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ccc(Cl)cn2)cs1 1751782654 KVLGKPWPRXKVIX-INIZCTEOSA-N 445.936 2.490 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1760104619 BNSPJGOBCFDFBB-HZPDHXFCSA-N 432.546 2.245 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCS(C)(=O)=O 1760168165 QELGGXKFDPOTMZ-UHFFFAOYSA-N 429.315 2.351 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1760170628 JVAJKJXVCSUIQY-HKBQPEDESA-N 440.573 2.292 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1760225384 OPMOCMAXQXSTNS-ZDUSSCGKSA-N 425.942 2.058 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(Cl)cc2OC)CC1 1760272930 FJGCSGOJCVGQEI-UHFFFAOYSA-N 445.951 2.491 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760286962 AYZFISDQOMLIFX-RADWXHQJSA-N 431.606 2.422 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760306546 IKIHCGHCPDAKMA-USXIJHARSA-N 440.386 2.238 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760334428 AAADIQGRMSNZIJ-HKUYNNGSSA-N 439.564 2.300 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760357043 CLSBTUXSODMBSG-NQIIRXRSSA-N 441.532 2.488 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1760529012 UBCMTUNGIVUIKK-UHFFFAOYSA-N 442.539 2.416 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)OC)C1 1760533657 LBSPWJYQLGKXGK-SFHVURJKSA-N 439.516 2.013 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760574572 KSDFNQJKBQYJMH-HXUWFJFHSA-N 449.559 2.179 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1F 1763233023 JKXFYEQASQXGIH-HLIPFELVSA-N 428.512 2.244 30 10 IEEE CCCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1764529943 ICSYIJHFWXYZTN-QGZVFWFLSA-N 426.521 2.428 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1765497032 FQZHMKQBDBHSEX-YLJYHZDGSA-N 443.983 2.353 30 10 IEEE CCC[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)OC 1765565678 DGCLSGNVLHZURK-OYHNWAKOSA-N 439.495 2.449 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(OC)CCOC1 1766432532 GMVKSRDEZDJDEB-UGKGYDQZSA-N 427.505 2.070 30 10 IEEE CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1766956300 TUKKYGMYJBMGGT-CZIZESTLSA-N 437.460 2.368 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769287226 YZPGUHPVWIKTRB-IAGOWNOFSA-N 446.502 2.494 30 10 IEEE O=C1Nc2c(OS(=O)(=O)O)cc(Cl)cc2[C@](C#CC2(O)CC2)(C(F)(F)F)O1 1848435139 XZBHQAQGPVCRMC-CYBMUJFWSA-N 427.740 2.370 30 10 IEEE C=CCN1CC[C@H](N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)nn3C)C(=O)C2)C1 1853660171 RHLTUDGOMRVBNN-SFHVURJKSA-N 427.936 2.285 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(F)cc3Cl)C(=O)C2)cc1 1854032969 QTFVFAJPAQVPBA-UHFFFAOYSA-N 449.891 2.343 30 10 IEEE C[C@H]1C(=O)N(C(=O)C2CC3(C2)CC(F)(F)C3)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635942 PZAKHOIRAUHPQK-ZDUSSCGKSA-N 437.468 2.132 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)C4CC=CC4)C3)CC2)cc1 1855647669 AFIRJPDOVWNUKW-IBGZPJMESA-N 427.526 2.300 30 10 IEEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3C)C2)CC1=O 1856098692 NVNAUJKQYLONAK-QGZVFWFLSA-N 439.965 2.048 30 10 IEEE N#Cc1cccc(C(=O)Nc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ccn2)c1 1860541017 FASWLUBGNBKLFW-UHFFFAOYSA-N 429.436 2.397 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 1862748419 ALNOJWQVBWNDEO-SFHVURJKSA-N 427.388 2.448 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)/C=C/c1ccc(OC)cc1OC 1873710812 VIYFWQNKFBNICV-SOFGYWHQSA-N 443.525 2.498 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1O 1874430905 DBCWJLVCVRYBBH-AUEPDCJTSA-N 442.476 2.372 30 10 IEEE COc1cc(/C=N/n2c(SC)nnc2[C@@H]2CCCO2)ccc1OCCN1CCOCC1 1874442174 VGSUJABJGZBBNF-LUJYGJGBSA-N 447.561 2.453 30 10 IEEE CCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc2c(c1)OCCO2 1874525562 TVFFCOINRMQRMI-SSDVNMTOSA-N 427.486 2.495 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875230141 QEDNJNVYNUFDNZ-UHFFFAOYSA-N 440.529 2.113 30 10 IEEE CC(C)C[C@@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)N1C(=O)c2ccccc2C1=O 1891476797 HNRVMNLJZNFKPL-UZLBHIALSA-N 447.495 2.429 30 10 IEEE C=C(Br)CS(=O)(=O)N1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C 2006268038 VGVFZMNSSWWXFB-QWHCGFSZSA-N 427.361 2.229 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2009961296 GYIFDADWILZCKH-QZTJIDSGSA-N 432.521 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010545488 WAWJJTCPQXNVJE-PWHSHALESA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)[C@H]21 2060635892 QJJZXPGUFMPPAT-KMIMBKNBSA-N 434.342 2.171 30 10 IEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060824455 XGIGQHLXPZIADC-PCCBWWKXSA-N 442.560 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073752902 VICBXFXITWWYPJ-OYHNWAKOSA-N 436.358 2.443 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)O 2123606973 SDXLCXMRZORVOQ-CQSZACIVSA-N 425.279 2.089 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124532960 MURQRYXUFDMAKV-UHFFFAOYSA-N 448.369 2.186 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2124540635 KAAKIMPCQSRECF-OAGGEKHMSA-N 446.357 2.396 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](CS)C(=O)O 2229099975 SYKBGAOBLZZFPS-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247908358 SHSSKFBWZUOPBT-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2250274615 YEMPASASJADSEL-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255827162 VTWNKYSXHZXVCN-UONOGXRCSA-N 434.346 2.227 30 10 IEEE C[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255846977 UKIJRHJHGYIIIN-DGCLKSJQSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021394 IGJOVROMQDUELM-KDOFPFPSSA-N 434.342 2.487 30 10 IEEE Cc1c(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267140009 NHZUDCGSRCHIDE-UUOWRZLLSA-N 436.365 2.032 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267173461 LDIJLJMFNMAXPS-FXAWDEMLSA-N 436.365 2.416 30 10 IEEE Cn1cc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267176723 DPGMVCJWTLRJLH-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2267231910 JQJZLVVVJOINKC-VQFNDLOPSA-N 445.369 2.402 30 10 IEEE Cc1cc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267574936 AYEMTEIINPOIDE-KRWDZBQOSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267584674 JVPUEDWDPWHUDV-SHTZXODSSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267608813 YFECZOXOEDVQPZ-JKSUJKDBSA-N 449.332 2.458 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268635939 XJNSUACZGRYLMF-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322298737 ATGSAIFGRPFIPR-CZUORRHYSA-N 437.321 2.472 30 10 IEEE COc1cc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)ccc1O 2328261452 SPSYUBBOZFWJEF-UHFFFAOYSA-N 443.485 2.040 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2337203338 WJARKGAYAZFZJT-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE C=CCn1cc(C(=O)NCCCOCC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 4034565 ZVUBSUPTNDYTCG-UHFFFAOYSA-N 449.573 2.374 30 10 IEEE CCOC(=O)c1sc2ncn([C@H](CC)C(=O)Nc3c(C#N)cnn3C)c(=O)c2c1C 16893739 OIHAOCGLBZYMRE-GFCCVEGCSA-N 428.474 2.138 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)c1 20527501 UKSPZLPVMGHSLK-LSHDLFTRSA-N 441.517 2.500 30 10 IEEE N#Cc1cccc(S(=O)(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1 33037716 LKYWCRYXZCVCKB-UHFFFAOYSA-N 435.509 2.005 30 10 IEEE CC(C)(C)NC(=O)CCN(N=Cc1ccc([N+](=O)[O-])o1)C1=NS(=O)(=O)c2ccccc21 254497569 FMDNNLGPWSMARV-UHFFFAOYSA-N 447.473 2.278 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(OCC)c1 440396459 DZYBUAIMFXBVEG-UHFFFAOYSA-N 433.533 2.327 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 460386880 MAJLWJRDRNVYAY-FDDCHVKYSA-N 436.516 2.345 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)cn1 461317762 JSXKFCPRYPYACV-GOSISDBHSA-N 430.468 2.395 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 463529475 WFEWIKXJFBPVPD-MRXNPFEDSA-N 436.511 2.320 30 10 IEEE Cc1ccsc1-c1nc(=NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s[nH]1 471951669 FPJYDHNRMAZFDK-UHFFFAOYSA-N 428.547 2.265 30 10 IEEE Cc1cc(C)nc(-n2cc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c(C(C)C)n2)n1 472280712 TZMCOAHDQDFAGD-UHFFFAOYSA-N 447.547 2.279 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 475840276 ZSAPJYRHZVSVOZ-UHFFFAOYSA-N 437.548 2.409 30 10 IEEE C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480946729 DJZXSLFIXGQUDD-OXQOHEQNSA-N 448.548 2.144 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 480956281 ILGHNMSQWLPPKB-LSDHHAIUSA-N 439.497 2.292 30 10 IEEE Cc1ncc(S(=O)(=O)NC(C)(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1C#N 489896473 NTWWQUGSMUMWOL-UHFFFAOYSA-N 441.557 2.058 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)Cc1cnc(OC)nc1C 507511850 RVHOGZXNTWPZBU-UHFFFAOYSA-N 429.502 2.432 30 10 IEEE CS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 507873961 OZTBSVCYXPYDMY-UHFFFAOYSA-N 435.527 2.025 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cn2)CC1 512643957 YWJWCVRPZULCPP-QHCPKHFHSA-N 447.587 2.143 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 537746019 BDUKIHMUOHYNBF-MRXNPFEDSA-N 432.502 2.270 30 10 IEEE CN(CCC#N)C(=O)CCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 538910552 BXAQXCBZWRGNFT-UHFFFAOYSA-N 425.455 2.024 30 10 IEEE COC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 539901762 BKIKAMJUOBSOCG-NRFANRHFSA-N 427.526 2.463 30 10 IEEE COCCOc1ccc(C#N)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1 541295175 UOIOWNILBJNSHQ-UHFFFAOYSA-N 428.514 2.041 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 549699663 QMLSWICKDCWHKJ-JOCHJYFZSA-N 436.520 2.271 30 10 IEEE Cc1ncsc1-c1nc(Cn2cc(I)c(C)c(C#N)c2=O)no1 566825269 NAJMLLBSIGSSOY-UHFFFAOYSA-N 439.238 2.496 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c1 578284938 RIURLHKNKHWCDG-UHFFFAOYSA-N 440.456 2.479 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(CN3CCc4ccccc43)CC2)c1 584023895 JAYYJECHADTZSJ-UHFFFAOYSA-N 438.553 2.138 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccccc3)c2=O)c1 726579558 IEXTYNAUKGWDIT-UHFFFAOYSA-N 427.529 2.156 30 10 IEEE Cn1cc(/C=C\C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O 727750730 HIZCGXMZESSCBF-NZIDHHNMSA-N 430.464 2.057 30 10 IEEE C#CCN(C(=O)CSc1nnc(-c2ccccc2C)n1CC)[C@H]1CCS(=O)(=O)C1 729331269 LGTNVIHCTUQTHO-INIZCTEOSA-N 432.571 2.014 30 10 IEEE CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138120 JETPEPCKLMLZRX-GUYCJALGSA-N 442.532 2.389 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O 730141788 PCXOJWRXEYMBTD-GOSISDBHSA-N 429.521 2.420 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)no1 730142873 QDRGEJOZNVIWHW-KRWDZBQOSA-N 433.509 2.322 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 731918737 UTPDCQILIIZGMU-ZDUSSCGKSA-N 428.470 2.196 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCN1C1CC1 732648833 IYWXHPNVUGEKLL-INIZCTEOSA-N 436.965 2.327 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732649964 DHFJHHGTJIIYPE-QGZVFWFLSA-N 436.965 2.327 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2Br)c1=O 748066010 PQPORAMRSNITOK-UHFFFAOYSA-N 447.354 2.191 30 10 IEEE Cc1c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cccc1S(N)(=O)=O 754324022 DLPMDQQEFKDARQ-AWEZNQCLSA-N 433.461 2.274 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 756886766 PBGUFKZNWBWVEW-RYQLBKOJSA-N 428.489 2.293 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 763621319 BKGLGOGYEAFESM-QFIPXVFZSA-N 447.557 2.214 30 10 IEEE N#C[C@H](COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 771594671 FIJFZOBIDFKENN-OAHLLOKOSA-N 435.433 2.328 30 10 IEEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 775986281 AMHQWKNSQPIZJO-NXKOUYSWSA-N 449.577 2.397 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 782526961 VXLJEIBBQCTUPZ-UHFFFAOYSA-N 426.477 2.163 30 10 IEEE C=CC[C@@]1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CCCN1C(=O)OC(C)(C)C 790133254 SQVITHUJUWPKBD-SFHVURJKSA-N 429.564 2.358 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)CN2C(=O)c3c(F)cccc3S2(=O)=O)cc1 799313408 ZGWUKCIGPQMISP-UHFFFAOYSA-N 431.445 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC1 812416977 JLALMSAERQKFNX-ZWKOTPCHSA-N 446.552 2.363 30 10 IEEE Cn1nccc1-c1ccccc1/C=C/C(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 814187460 KBNBPWJLKKTBTO-DHZHZOJOSA-N 425.466 2.346 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1)Nc1ccc([N+](=O)[O-])cc1 1084619351 YWOWUPPSAQMCQE-UHFFFAOYSA-N 429.418 2.301 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)C2=O)cc1 1130260553 RYDBYQURIHMXTD-YZGWKJHDSA-N 433.468 2.195 30 10 IEEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c(Cl)c1 1134435173 LEMVABIJRQXOPE-UHFFFAOYSA-N 445.928 2.426 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1NC(=O)OC(C)(C)C 1139811146 FOWBYSAVTKIENT-MRXNPFEDSA-N 438.488 2.170 30 10 IEEE O=C(COc1ccccc1C(=O)N[C@H]1CCN(O)C1=O)Nc1cccc(C(F)(F)F)c1 1141380215 JHNQGYAVZDPANS-HNNXBMFYSA-N 437.374 2.443 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1142655717 UDJQBTQULMVVPT-UXLLHSPISA-N 428.938 2.118 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)C1 1143719772 GHHDCSWOQJOYAC-VQTJNVASSA-N 427.549 2.146 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2cccc3ccccc23)c1 1155491279 QBNQXSUOPDFQED-OAQYLSRUSA-N 436.489 2.395 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1157818219 MSSSZGHRCBGOOU-RGTXRHFESA-N 442.409 2.483 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC[C@@H]3[C@H]3CC[C@H](COC)O3)n[nH]2)c1C 1178597808 JOWONZJDSGMYPB-NSISKUIASA-N 429.521 2.111 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccc(Br)cc1 1230498380 CKGNDNICNQGYPV-HNNXBMFYSA-N 440.294 2.409 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286321212 LDMLPFATUWHWBN-UHFFFAOYSA-N 439.549 2.189 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286322407 AWGZGGCZVIODIU-QZTJIDSGSA-N 428.581 2.411 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2c(ccnc2O)C1 1286340277 WXZSMKDVHZJBFW-UHFFFAOYSA-N 437.525 2.425 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286387015 MJPGDNLOIKDLHZ-OAHLLOKOSA-N 429.477 2.056 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286392195 GHXKCECJBDUGMR-IBGZPJMESA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1286400128 XDIRFBQWISXJQA-IEZWGBDMSA-N 429.521 2.219 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1286443164 ARTWDPCXVABBLM-UHFFFAOYSA-N 442.545 2.267 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC)C1 1286556090 NIRHADUZXYKJQN-PXCRPINLSA-N 430.597 2.379 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCOCC2(CC2)C1 1286791959 IQLLDUGQUUIDJQ-UHFFFAOYSA-N 425.533 2.339 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(OC)CC1 1286821764 AGTZPOMLECYKHJ-NRFANRHFSA-N 433.578 2.260 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)CC1 1288983212 MWULLDHSKGJRAI-KRWDZBQOSA-N 439.520 2.251 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1293862629 JJVORRYPNVNJKA-KRWDZBQOSA-N 436.564 2.301 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C 1297287658 HAWBOFRYDXAGSW-PZJWPPBQSA-N 439.564 2.469 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C#N)o2)C1 1299370121 DVVOSDAQVSVRAK-OAHLLOKOSA-N 437.456 2.475 30 10 IEEE C#CCCCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1300425842 YQUQEXQHZQPFCS-QHCPKHFHSA-N 429.565 2.325 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1300595705 GXLUWVJQXNHIAG-UHFFFAOYSA-N 432.532 2.219 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300742554 NBRRFSURBNGDDU-QGZVFWFLSA-N 442.589 2.002 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1300991762 QQENANXOOCZDEB-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE CC(C)Oc1ccc(-c2nc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cs2)cc1 1301210873 GMDXSSTXMOAPDQ-UHFFFAOYSA-N 425.470 2.161 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1301499000 VYDZREUPLPLYAM-CYBMUJFWSA-N 443.458 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301546157 PNDRDJFERCGXRH-PKOBYXMFSA-N 427.530 2.033 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1 1301946549 VWAITKNDORUECN-DOTOQJQBSA-N 426.521 2.426 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1302721771 HIURQXRIJWCXSY-LZICOFPGSA-N 441.561 2.444 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)cc2OCc2ccccc2)CC1 1310151316 SCXRCRDLVVVJKX-UHFFFAOYSA-N 442.541 2.191 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)C2)n(C)n1 1312607969 IRDFJMWSAPEXRP-LJQANCHMSA-N 425.512 2.240 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1314707218 NAVPOGMGWAGQCB-WJOKGBTCSA-N 442.589 2.469 30 10 IEEE CNC(=O)c1cccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)c1 1314982792 WMRWOENDMCDQST-SBUREZEXSA-N 440.548 2.322 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC(O)CC2)C1 1316532269 NNIAWKWCBMBBRQ-QFIPXVFZSA-N 448.493 2.436 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC2(CCC2)C1 1349465279 UGEIQNXHOGWFAO-UHFFFAOYSA-N 430.509 2.284 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1358947576 FMPJMEGHMSCSIF-RTBURBONSA-N 446.596 2.183 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1359038835 MQVNOKWCUGXNJG-RTBURBONSA-N 427.524 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCC)CCC2)CC1 1359045133 XYGXEFTXLRJANM-SFHVURJKSA-N 426.565 2.165 30 10 IEEE Cc1c(Cn2c(CNC(=O)c3cccs3)nnc2N(CCC#N)CC2CC2)cnn1C 1360976262 FFNYIBVUWJYMEX-UHFFFAOYSA-N 438.561 2.490 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)c1 1441628495 CYJSMDIYUGIMLG-JJIBRWJFSA-N 441.469 2.095 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)ccc1F 1449846628 WFHJWKUMAQQSBZ-AWEZNQCLSA-N 425.526 2.044 30 10 IEEE C[C@H](CN(C)C)[C@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1454133915 XMMKLFNLWFALDM-NSISKUIASA-N 425.533 2.342 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1457997094 QXXPVMNXSOXXRY-FGZHOGPDSA-N 437.537 2.486 30 10 IEEE CN(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)S(=O)(=O)c1cccs1 1458120252 AYXDXOZVMISQBD-AWEZNQCLSA-N 444.579 2.072 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s1 1462214685 ICFYNIRIENZEHG-QGZVFWFLSA-N 430.552 2.420 30 10 IEEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCCCC)c(C(C)C)c2)CC1 1463164723 IBXHPNGIGSXLDV-UHFFFAOYSA-N 449.617 2.435 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 1465785319 NDFJFHRHBCVGOF-AWEZNQCLSA-N 449.479 2.316 30 10 IEEE CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1468344952 OHDPLJFLAIULBF-OAQYLSRUSA-N 437.544 2.012 30 10 IEEE COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478447096 CNPMFAYDTUZLTD-NVGCLXPQSA-N 442.335 2.098 30 10 IEEE Cc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1492776472 AFAHAYDUPQTXSN-XKXPVHLMSA-N 435.532 2.218 30 10 IEEE CCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1500880131 DSGGUDSQABCFSS-OAHLLOKOSA-N 429.525 2.476 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1ccc(C)n(C)c1=O 1503122136 HGEGMZUIGJMVRH-OAQYLSRUSA-N 448.527 2.320 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1503839517 XLTWLELWDAUIQM-OAQYLSRUSA-N 446.577 2.007 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCCCO)CCN1C1CC1 1505322751 SUZANEBEHXVBHL-QGZVFWFLSA-N 430.940 2.174 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CN(C(=O)OC(C)(C)C)C1 1507534132 RJEZWCDRIKDZIT-CQSZACIVSA-N 442.520 2.331 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1COc2ccccc2O1 1507661070 LWRJOVQHJHZTIW-NTKDMRAZSA-N 436.512 2.233 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1507731218 DDHFJWMMAHSTHW-PMACEKPBSA-N 446.596 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1507735633 CYPWKZPXJYJWHZ-HXUWFJFHSA-N 435.450 2.002 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1508147998 OVYYDZHWWAKCSY-KKSFZXQISA-N 444.561 2.229 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1508315328 GGEWQJKDRVOADK-UHFFFAOYSA-N 438.532 2.137 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)OC(C)(C)C 1511887684 XJKXTZQKPGZAIB-UHFFFAOYSA-N 426.525 2.095 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1517601710 WEOYUUGBQWATHO-INIZCTEOSA-N 442.430 2.385 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1518750754 RRQIOAOYVXAGKX-SJORKVTESA-N 427.440 2.071 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1519037162 PEBRQMFJXWPFHW-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2Cc2ccccc2)CC1 1521790755 YFMDROKVGIZTOC-UHFFFAOYSA-N 435.553 2.152 30 10 IEEE N#Cc1nc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)ccc1Br 1526374864 LFLQVWQILXAORN-IBGZPJMESA-N 440.257 2.048 30 10 IEEE CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)c1ccc(C#N)nc1 1537999657 YFBGGLDXEWFKTQ-LJQANCHMSA-N 442.273 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1539296309 OHMLNNOGYJBOOK-MBSDFSHPSA-N 425.508 2.087 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1cccs1 1539409148 PUEAPPVKYAFSFH-OAQYLSRUSA-N 443.529 2.061 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](OC)[C@@H](C)CC)CC1 1539459272 BUBONNAEQXRBRL-ROUUACIJSA-N 444.605 2.086 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539514548 SFBGCSOTOCORCQ-UHFFFAOYSA-N 427.578 2.427 30 10 IEEE C=C(C)COCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1539759608 JALYUOTUIRFFIQ-QHCPKHFHSA-N 447.580 2.114 30 10 IEEE C=CCC(C)(C)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1539928745 HAWRHAIMAVVCNJ-JXFKEZNVSA-N 426.583 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)CCc1cnccn1 1540900582 ANMVATUCSFQMFS-UHFFFAOYSA-N 430.509 2.154 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1540904410 NBABEKCMWMWTQS-UHFFFAOYSA-N 446.499 2.220 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1541802997 BFGWKTRUSRPKSU-SJLPKXTDSA-N 426.521 2.436 30 10 IEEE CC1(C)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)C[C@H]21 1541997503 GLSVEMIROZFMGQ-IYBDPMFKSA-N 448.449 2.499 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C1 1554405102 BTNSLIAMNJKJQQ-DHIUTWEWSA-N 440.548 2.098 30 10 IEEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1554999758 BOGLDNLVQIVIRK-GOSISDBHSA-N 444.561 2.118 30 10 IEEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1562065484 YDASHNWRBIGTKK-INIZCTEOSA-N 439.582 2.097 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)C1 1565346848 YWYPVIPOWINVDZ-SJORKVTESA-N 428.562 2.284 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)c2nc(C(=O)OCC)n[nH]2)c1 1568299260 NKLCSNBDADTTIY-KRWDZBQOSA-N 446.529 2.296 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2(OC)CCOC2)c1 1587689630 NXGOSGVXFLYQDK-DEOSSOPVSA-N 446.511 2.202 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1587765965 NGPSRWAUIIZWSZ-IAGOWNOFSA-N 432.550 2.059 30 10 IEEE CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)[C@H](C)C#N 1588119330 MXTYPGAYECTYMC-GFCCVEGCSA-N 428.898 2.409 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C2CC2)ccc1F 1588139744 QQQGGZSHNQHPKX-GOSISDBHSA-N 426.517 2.318 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O 1588166395 FYMMHSCLORXPGN-KRWDZBQOSA-N 430.505 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCCN1CCN(c2ccncc2)CC1 1588245531 IDWPMODBZSRREH-UHFFFAOYSA-N 431.588 2.301 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1588385242 GTWZMLQKWLQLLV-HNNXBMFYSA-N 437.363 2.451 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1588849104 ZIAJFUJYYKIKEV-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 1588975822 MGNILQAXKQREAM-UHFFFAOYSA-N 432.638 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1589207599 NQXLHGGPOKZDQU-YCRPNKLZSA-N 430.459 2.309 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1593722687 VUKOPCIPVHBCPL-MRXNPFEDSA-N 437.541 2.195 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CCCN(CC(F)F)C2)nn(-c2ccc(F)cc2)c1N 1595533767 UNIHRTCWJRVFFX-CQSZACIVSA-N 434.466 2.491 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1595536477 BDRZJBUMHDJANR-UHFFFAOYSA-N 441.511 2.387 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cccc(C(=O)NC)c1 1614028809 PYTOXAJBZGZXIB-UHFFFAOYSA-N 444.543 2.036 30 10 IEEE CCC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1614406405 QSEBBUJUCWSWSP-MOPGFXCFSA-N 425.537 2.190 30 10 IEEE CCC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1614406406 QSEBBUJUCWSWSP-OALUTQOASA-N 425.537 2.190 30 10 IEEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1614504351 BTEPFLFRIYGLLM-SFHVURJKSA-N 439.564 2.128 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1619989962 LPPOBLMNOYDECJ-VGOFRKELSA-N 444.511 2.103 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1620070355 HHJFSKJFKYLSIT-WZONZLPQSA-N 441.532 2.254 30 10 IEEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1626285910 ATXWNMFYODJEBG-QNOZYLDQSA-N 433.553 2.035 30 10 IEEE C#CC[C@]1(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1627529234 UYKWIOYVPMWFHX-JOCHJYFZSA-N 449.573 2.492 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3ccc(CC#N)cc3)CS(=O)(=O)[C@@H]2C1 1628708416 LMTARNLYYCGOLY-KBAYOESNSA-N 433.530 2.361 30 10 IEEE C#CC[C@H](NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)NC)cc1)C(=O)OC 1629616912 AYFXFPVYJWQFNS-KRWDZBQOSA-N 432.523 2.041 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1630023694 LXDUBDKWNRCWSY-YFHOEESVSA-N 433.480 2.042 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1630873109 JKEVZVKDVSQBCE-IXDOHACOSA-N 439.553 2.434 30 10 IEEE Cc1c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(=O)n(C2CCCCC2)n1C 1631851804 BHSWVLQNUIJVIR-UHFFFAOYSA-N 445.545 2.445 30 10 IEEE CCOC(=O)c1ncn(C2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)c1N 1635039859 GKGHAGVQCSEYJU-UHFFFAOYSA-N 426.477 2.069 30 10 IEEE N#C[C@@]12CN(C(=O)CCCC(=O)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1635697100 ICVSQFZUMAHDGQ-KSSFIOAISA-N 439.331 2.199 30 10 IEEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCc2c(sc(N)c2C#N)C1 1639993532 WPYJJPQZOJZZIL-UHFFFAOYSA-N 434.468 2.346 30 10 IEEE O=C(NCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ncccc1O 1648125675 NGJUQFIZTQZLGU-OCAPTIKFSA-N 447.282 2.146 30 10 IEEE Cn1ncc(I)c1Cn1cc(C#N)c(=O)c2cc([N+](=O)[O-])ccc21 1651802840 URERRGHCPZEURJ-UHFFFAOYSA-N 435.181 2.168 30 10 IEEE Cc1nn(-c2ccccn2)c(C)c1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811568 INAYJSSZOKKXMI-UHFFFAOYSA-N 433.468 2.331 30 10 IEEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN(CC)[C@H](C)C#N)C2=O)cc1 1655165104 ROQPNQXTXNGQDU-GYZOOYGHSA-N 430.530 2.472 30 10 IEEE CC[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1cccc(OC)c1OC 1655378401 AJNBHVFVSBGPKY-QGZVFWFLSA-N 427.505 2.261 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1662251853 RIJSTPRMRYIZTL-UHFFFAOYSA-N 442.603 2.057 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)CC1 1677915785 HMABSUNZIZIKGU-SFHVURJKSA-N 442.541 2.335 30 10 IEEE N#Cc1csc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)n1 1684393167 IHXSDCRRRNMUDT-AWEZNQCLSA-N 425.392 2.296 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCC1 1689847414 ZGNZJOFBZHNEGL-INIZCTEOSA-N 429.594 2.180 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1689912900 CQROTXMWHOTVAT-UWJYYQICSA-N 431.562 2.054 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NCc1ccccc1 1689947219 BWVLFMDYLDAPMA-QHCPKHFHSA-N 425.533 2.095 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1689994164 SIYCFEKLUCDYBJ-UXHICEINSA-N 433.622 2.122 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1690206411 QLWAMJIFWYDIAE-WZONZLPQSA-N 425.508 2.272 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)nc2)C1 1690697515 WVYXMNJXWZENFU-ZWKOTPCHSA-N 426.521 2.241 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1695435202 GQPOWGXPVLHANQ-HNNXBMFYSA-N 449.481 2.416 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1696478044 RIDOXBPAUHCBAB-NRFANRHFSA-N 429.546 2.258 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705527003 PGWMTWGCCWAGQN-VQTJNVASSA-N 444.557 2.146 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(=O)NC 1705532022 DEVLXXYVWCMEJY-UHFFFAOYSA-N 432.569 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(N(C)C)CCOCC2)CC1 1705635912 QGCICUNVNSKBOT-UHFFFAOYSA-N 436.604 2.374 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705732552 CSWIDMMRHTXDLK-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705804649 JAZLOAISTYWKIH-UHFFFAOYSA-N 434.552 2.275 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1705861014 YUJXJOHRJJABBP-CVDCTZTESA-N 436.516 2.099 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2nnn(C)n2)C1 1705921516 TZDCMJDMSDYJTA-ZDUSSCGKSA-N 445.325 2.061 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1706366037 NOVQFDJVYWEVAF-IBGZPJMESA-N 449.563 2.190 30 10 IEEE C[C@](O)(CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1706897574 BHIFVLNFHSSQAQ-VXKWHMMOSA-N 426.496 2.254 30 10 IEEE CC/C=C/Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709382556 CPPHJZODTIXPNL-DVBCCOPCSA-N 442.568 2.209 30 10 IEEE CCC[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1709890606 GQUPWTRRYVRCIZ-KZNAEPCWSA-N 436.582 2.102 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CCOC1 1710423032 DQEUYHGMXLLSBL-GKAYAJSDSA-N 448.612 2.414 30 10 IEEE CN(C)CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1711013945 HHEWTLVGSQETDZ-SFTDATJTSA-N 440.548 2.237 30 10 IEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(F)(F)CO2)CC1 1712883089 KVQJSMPRMDPFHY-AWEZNQCLSA-N 436.488 2.434 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1nc(C)no1 1722280703 LJMXXWWFDYNYNL-AWEZNQCLSA-N 428.518 2.131 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1722367766 XRGRNSZPDIAHGS-GOSISDBHSA-N 434.537 2.060 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCCC1 1722370905 RRWJYSQHQSWFDI-LJQANCHMSA-N 436.585 2.486 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(C)nn2C)CC1 1722445753 XEZAMTRAECJHAG-UHFFFAOYSA-N 435.507 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1722447962 RUDNKQBGQQVMEH-VAXXYWNWSA-N 427.593 2.384 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2)CC1 1722566761 YRFRKUZZAOGJKF-KRWDZBQOSA-N 432.546 2.402 30 10 IEEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1722601201 FURWHABDHQMFRN-IBGZPJMESA-N 429.521 2.270 30 10 IEEE Cc1ncsc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1724102796 DVARUVRZWSUKKD-MRXNPFEDSA-N 434.591 2.318 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)c1 1724183128 WXOYKBJQMPUFLS-QFIPXVFZSA-N 430.528 2.494 30 10 IEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1728590115 HZFKXLKSTMUIOV-GHTZIAJQSA-N 440.548 2.469 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740619318 HTIHAJKZGFYGAH-JXFKEZNVSA-N 449.964 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccn2)CCC1 1740655452 BZWGZEBWCPRVNH-IBGZPJMESA-N 437.569 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2OC(F)F)CC1 1740707763 OWWGYEBAVBOTQI-UHFFFAOYSA-N 447.486 2.430 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1740791921 BPZVFPYHLIGXHE-HXUWFJFHSA-N 441.532 2.475 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC[S@@](=O)C(C)(C)C)CCOC1 1741127150 YAWRIOPLQFFJTB-VGUHALLBSA-N 425.599 2.462 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1741481166 HASDWKKKERKBEK-CQSZACIVSA-N 428.484 2.365 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)F)cc1C 1742243685 IBAGQSZXVKPULW-AWEZNQCLSA-N 433.463 2.267 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC[S@@](=O)CC)c1 1748692592 JENXGPJHRINQJZ-RQZFFVEVSA-N 443.573 2.345 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1748764004 FOFLIYCDFTVHPW-IRXDYDNUSA-N 444.536 2.404 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2sc(C)nc2C)CC1 1749014089 DNTVAXUONAYHCO-GOSISDBHSA-N 442.589 2.064 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749420868 GSIPTQPAKDVKTK-NQIIRXRSSA-N 440.596 2.024 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749593934 CYWPMGURMQABEH-UHFFFAOYSA-N 448.589 2.086 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NC(C)C)C1 1749703972 SSIWFZZKKDSABJ-QGZVFWFLSA-N 427.505 2.022 30 10 IEEE CC(=O)NCCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1750046228 MZNDVLWSWUZKSD-VWKPWSFCSA-N 449.531 2.017 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCOCCS(C)(=O)=O 1750062071 COZOFESYURBERX-OAHLLOKOSA-N 431.518 2.348 30 10 IEEE CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1750315520 RLMLHZVEYRLTFB-UHFFFAOYSA-N 437.577 2.415 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1C 1751190581 DGWNMHKYNCKDHL-GJYPPUQNSA-N 446.577 2.069 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760160265 CFCMVKQYBVNLFS-GOSISDBHSA-N 425.537 2.101 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC[C@@H]1CCCO1 1760198801 JIAHYRONOZMPIN-FQEVSTJZSA-N 436.512 2.375 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1760250774 MDUHFTDMOYHTDP-UHFFFAOYSA-N 441.557 2.013 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc3c2OCCCO3)n1 1760253146 WITDKUOQNLHOIG-UHFFFAOYSA-N 436.516 2.279 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760379057 GUJFTYYQIOZNQW-LJQANCHMSA-N 433.988 2.441 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)OC)C1 1760533656 LBSPWJYQLGKXGK-GOSISDBHSA-N 439.516 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCSC2(CCOCC2)C1 1760552072 AXFFASSANSKQGM-UHFFFAOYSA-N 449.602 2.043 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1761258073 GKODGSZULTUSED-LJQANCHMSA-N 432.532 2.459 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1762033866 CNKRORJEEYCHKB-OAHLLOKOSA-N 433.520 2.042 30 10 IEEE CCn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CCO2)cn1 1765302559 ABQIOTDVEGEVDP-FQEVSTJZSA-N 448.531 2.136 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1769845624 PWGNCLAXNFCACC-SFHVURJKSA-N 448.568 2.405 30 10 IEEE COc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 1770294975 WEUADCGNELKQSA-IRXDYDNUSA-N 447.561 2.396 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1772566938 NSKMTGICDMOTKZ-IKGGRYGDSA-N 448.568 2.171 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(COc4ncccc4C#N)CC3)ccc21 1849721127 RFRLZTQIVIITSU-UHFFFAOYSA-N 440.525 2.342 30 10 IEEE CC[C@@H](C)[C@@H](CC(=O)N1CCN(c2nccc(C#N)n2)CC1)N1Cc2ccccc2C1=O 1851176740 XORGSMVPUYEKAJ-DYESRHJHSA-N 432.528 2.458 30 10 IEEE C=C(C)n1c(=O)n(CCCC(=O)Nc2cnn(CCN3CCOCC3)c2)c2ccccc21 1851352800 WRLNIYZUVCNNHO-UHFFFAOYSA-N 438.532 2.241 30 10 IEEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)C1(C)C 1856109678 MWLVHHJRMDRKKW-UHFFFAOYSA-N 433.574 2.113 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@@H]1C 1857184131 XGKUQKNSELSPHR-ZDUSSCGKSA-N 447.900 2.282 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862181369 MYJBIJKAWJZJTP-AZUAARDMSA-N 441.528 2.312 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862630469 UTGGOJFAXKBWAL-NSPYISDASA-N 427.409 2.089 30 10 IEEE CCOc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cccc(NC(C)=O)c2)cc1 1870098440 DWKNAHNRBSPFMY-UHFFFAOYSA-N 426.458 2.297 30 10 IEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873562114 NRZGIRJFEAHQFT-UHFFFAOYSA-N 433.560 2.469 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060636303 WNMQSAJIICZOKS-SJORKVTESA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2081954705 ILNWZERPLBLSTE-UHFFFAOYSA-N 432.370 2.305 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOCCN=c1[nH]cc(Br)cc1C#N 2225564502 IXFPXLQWNCWAGI-UHFFFAOYSA-N 429.315 2.107 30 10 IEEE Cc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2247876239 LRIXPTFCJYQDJF-UHFFFAOYSA-N 431.363 2.477 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(Cc3ccccc3)C3CNC3)cc2F)OC1(C)C 2255932416 AYHRCWQRPCRWNJ-UHFFFAOYSA-N 446.353 2.288 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258892467 SRYWQEQHCWROEN-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267097386 NYVULPOWZIFFGR-QFIPXVFZSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267162128 LJTKEXYZRAKKDD-ZBFHGGJFSA-N 446.357 2.199 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267217928 NTNCCAUGUIYALL-UHFFFAOYSA-N 433.321 2.293 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2267237509 QBBPNNKDFOYBQI-LJQANCHMSA-N 443.275 2.090 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267277329 NSNCGCFHNXTGIW-YUTCNCBUSA-N 442.243 2.250 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267515095 JLSWLFDZGUKJMN-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267515475 OXQPTYJVBLPBEL-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872473 JDNVXEZZVXFVMB-HNNXBMFYSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCOC1 2268716868 HQCDQYQDECBOLT-YOEHRIQHSA-N 447.341 2.249 30 10 IEEE COc1ccc(C#N)cc1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2284156696 AKBSWRSOIIISGZ-HXUWFJFHSA-N 431.445 2.333 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)n1 2315390453 OQOLZYIBDUUQDT-HNNXBMFYSA-N 433.358 2.471 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@@]2(NCCC#CBr)C(=O)O 2348839995 MHBYQDFBDUVZRY-WXZYKRPKSA-N 431.327 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCOC2(CCC(NCC#CBr)(C(=O)O)CC2)C1 2349214542 LBIOXRKUIFTXDM-UHFFFAOYSA-N 431.327 2.335 30 10 IEEE COc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(O)cc3O)cc2)nc(OC)n1 27839737 UEULYOUJCRKYQB-RGVLZGJSSA-N 430.442 2.456 30 10 IEEE CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C#N)cc4)cc32)no1 46145584 JUQSMQYXMGWUPN-UHFFFAOYSA-N 439.453 2.230 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCCO2 72461363 WOAFWHNWQNXTPH-YOEHRIQHSA-N 433.424 2.360 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)Cc1cn(C)nn1 460812171 WVENICWQCUQXJS-UHFFFAOYSA-N 433.520 2.406 30 10 IEEE Cn1ccnc(N2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)c1=O 465239134 ZUIJJXHGJPFMLB-UHFFFAOYSA-N 429.480 2.193 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 499465174 ZAWHHPSXRIJCEI-HNNXBMFYSA-N 427.867 2.447 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 506922150 GSDGRGJQFKFLLY-UHFFFAOYSA-N 436.585 2.263 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 508115773 AAJHFBATGABUDJ-OAQYLSRUSA-N 433.468 2.400 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 518529156 MZTQVVJDTHOBIX-HXUWFJFHSA-N 434.500 2.103 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)Cc4cccc(OC)c4)CC3)cc2C1=O 519978553 PFONNNQMJOKLTG-UHFFFAOYSA-N 447.491 2.004 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 531598143 HZCKEWDODFNUSS-UHFFFAOYSA-N 448.548 2.004 30 10 IEEE CN1CCCC[C@H]1CN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 532960547 RISXNYNXTVGWDU-NRFANRHFSA-N 436.522 2.275 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 533101242 MQXUGQQKPWORBE-UHFFFAOYSA-N 426.563 2.080 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)CC1 534382516 YBVVZHTUHPYNTF-CQSZACIVSA-N 441.345 2.149 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCOC1 535163050 VQNXOJZTHVXYLM-ZDUSSCGKSA-N 430.476 2.097 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2C1=O 538909561 UOGBBGYVHXJVEM-ZDUSSCGKSA-N 425.391 2.282 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1Cc1ccccc1 542220899 MBHJJAMREDNRBU-UHFFFAOYSA-N 440.528 2.064 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 567150169 RJDFOHBZUSDZOS-HNNXBMFYSA-N 434.522 2.147 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ncc(C)s3)cc2C1=O 583221987 RAEVOLOBGVSTFW-HNNXBMFYSA-N 442.522 2.387 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c(F)c1 609256648 BNYMFARPAKIKAZ-UHFFFAOYSA-N 433.443 2.337 30 10 IEEE O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1c(C(F)(F)F)nn(CCO)c1C(F)F 676299682 OXIAGGWGNCQWMS-MRVPVSSYSA-N 438.319 2.446 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CC1 727628431 JMZHRCQXRSZJPF-UHFFFAOYSA-N 440.525 2.327 30 10 IEEE COC[C@@H](C)N=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1cnn(C)c1 727972356 RHWJQOXTRBVGQC-ZIAGYGMSSA-N 440.529 2.487 30 10 IEEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730138769 MXGHOZQXVQISDC-LJQANCHMSA-N 432.590 2.211 30 10 IEEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730708778 IRPDPUWYRNHEJL-QGZVFWFLSA-N 440.529 2.272 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 743902942 BZNNRMSXJYHMKC-UHFFFAOYSA-N 427.432 2.099 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 744145330 QXRZQRIRQDJKRY-UHFFFAOYSA-N 425.422 2.412 30 10 IEEE C#CCNC(=O)[C@H](C)OC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 744572051 CSSADEFGKSXBEO-AWEZNQCLSA-N 426.922 2.002 30 10 IEEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@H]2CCCO2)c1C 763436612 IQVCTFRHIIZFNQ-LJQANCHMSA-N 447.560 2.430 30 10 IEEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1 765546224 YFFYMTQPRBJFFS-SFHVURJKSA-N 442.589 2.237 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767548580 CNUBAQXYLOYOBU-UHFFFAOYSA-N 443.891 2.205 30 10 IEEE C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 767700843 UEFAJDZCAUXMNY-IRXDYDNUSA-N 438.546 2.488 30 10 IEEE C=CC[C@]1(C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)CCCN1C(=O)OC(C)(C)C 772783257 FVMSBCKUJNLEHE-JBYIUTFZSA-N 426.554 2.205 30 10 IEEE CN(C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C)C(C)(C)C#N 782392459 OALSPWPREGGCKK-KHJUTWJGSA-N 437.537 2.389 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)OCc2noc(-c3ccccc3O)n2)ccc1F 782697870 UVPRWRXCVPVEKD-UHFFFAOYSA-N 433.417 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@@H](COc3ccccc3)C2)C1 790487192 SBNUMVCTAXPMHR-UHOSZYNNSA-N 430.505 2.235 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CCCN1C(=O)OC(C)(C)C 790699102 SVHULTWEYCWDNW-ZDPZECHZSA-N 431.537 2.376 30 10 IEEE CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(N2CCOCC2)cc1 1131174142 AUPPYSSVGVHXOH-UHFFFAOYSA-N 442.541 2.382 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 1197292898 HNCINXRMTQBINK-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1211446489 VKLCWLVOBQCOKC-KRWDZBQOSA-N 448.463 2.241 30 10 IEEE CC[C@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 1223301340 HDGHAMZNCZIUHC-PMACEKPBSA-N 428.533 2.154 30 10 IEEE C#C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 1225849198 YOSOSZRHBGUJLY-MSOLQXFVSA-N 435.366 2.365 30 10 IEEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CC1 1255133641 FWPJBLQPCZPOFT-UHFFFAOYSA-N 437.562 2.466 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286397667 UAKZITADCNMTSZ-CQSZACIVSA-N 440.928 2.282 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 1286503823 JPYZNRKDVUHPNG-UHFFFAOYSA-N 443.573 2.052 30 10 IEEE C=C(Cl)Cn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1286636619 YXKIISWXLYZGEQ-CRAIPNDOSA-N 434.990 2.331 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1287114711 YVTGIMSKJNWURA-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cc1 1287423401 HRSNLVNXEPXYIW-SFTDATJTSA-N 448.479 2.372 30 10 IEEE CCc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1292541110 HZOOEGNERAIMED-YWZLYKJASA-N 434.541 2.135 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 1293767761 ZJJFMPVBFLTORN-NHCUHLMSSA-N 429.561 2.353 30 10 IEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1295569516 CVEIYADDSMHAAS-MJGOQNOKSA-N 440.548 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](N4CCOCC4)CC3)C2)C1 1297753403 LXVBFRLWJSZVMK-QFKVYABISA-N 446.592 2.487 30 10 IEEE CN(Cc1ccon1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298473604 PNGUQJIBEVAFQE-VXPUYCOJSA-N 425.493 2.162 30 10 IEEE CC(C)c1nc([C@H](CO)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cs1 1300078125 DSZOPPDTLYOWCC-HOTGVXAUSA-N 441.513 2.193 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300431611 YFCHZSOFZUXUJL-ARFHVFGLSA-N 425.599 2.188 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nnc2n1CCC2 1300522373 FCJRKGKNJVSAIY-UHFFFAOYSA-N 445.527 2.401 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1300697722 IPHFLOLDHKDTCT-LJQANCHMSA-N 426.496 2.053 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1300843074 ANNUKTHLMPUBMN-CZUORRHYSA-N 437.386 2.448 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1301399544 PRPJKKCXRLCDSG-DVECYGJZSA-N 439.560 2.289 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1c[nH]c2ccc(F)cc12 1301806845 VHSYAVSLUFQGSP-LJQANCHMSA-N 439.495 2.459 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)[C@H]1CCC[C@@H]1C#N 1307991740 AHIDSYPTMJHUAM-XLIONFOSSA-N 447.605 2.490 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1315033302 BREYKYZHLDZEDL-UHFFFAOYSA-N 433.472 2.204 30 10 IEEE CO[C@H](CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1315186280 VEYZGQMBGMFMCB-QZTJIDSGSA-N 449.481 2.408 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCNC(=O)C2)o1 1316531120 NWLWRQPCXBBARC-UHFFFAOYSA-N 445.252 2.296 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc(Cn3ccnn3)c2)c1 1350734799 NQYBRJQYSVHIHZ-HIXSDJFHSA-N 438.513 2.392 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cs1)C(N)=O 1352236040 ATVCIPZRBIOJQA-LBPRGKRZSA-N 433.534 2.011 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC2)c1 1358903077 KPZNBBUGZMGFKQ-FQEVSTJZSA-N 430.512 2.357 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1C 1358930061 NLWWTFNYOVQLPF-HXUWFJFHSA-N 445.589 2.359 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccnc1 1358978454 NEBNCUFWNDJICR-UHFFFAOYSA-N 426.528 2.163 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1359026618 FTAPYGGINFYBOD-IBGZPJMESA-N 446.573 2.076 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1359033951 WVGBBJBYZJJZKG-HSZRJFAPSA-N 445.571 2.407 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359056660 JIYSXIBKVGXNHF-INIZCTEOSA-N 445.549 2.485 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1359133092 LLLFFCHJBGSINS-HNNXBMFYSA-N 425.580 2.174 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCC(C)CC2)CC1 1359173401 FNSMLOBNWGMPGK-SFHVURJKSA-N 438.642 2.413 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359188106 GFSFMAWNPUALAC-BRWVUGGUSA-N 426.583 2.023 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359218898 ZDKBKWHQXCLYSW-GOSISDBHSA-N 443.577 2.367 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C 1359233712 OXUXXFSBJGUZQM-UHFFFAOYSA-N 443.577 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1ccccc1 1359331620 DOYCKIXFZAPSNV-SJLPKXTDSA-N 431.562 2.070 30 10 IEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1359343570 WIDHFMSOFBTFOJ-GOSISDBHSA-N 440.577 2.100 30 10 IEEE CC(C)C[C@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)N1CCOCC1 1437074713 SYDHBMMQHTVOKW-INIZCTEOSA-N 438.322 2.089 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1)c1cc[nH]n1 1444730123 CPOQHQXIQOAXOS-SECBINFHSA-N 433.412 2.436 30 10 IEEE CONC(=O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CC1 1460734360 JEVOTDJAEGQMPM-UHFFFAOYSA-N 439.516 2.303 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCc2sc(S(N)(=O)=O)cc2C1 1473659067 LJUJSFRXGQQIFP-AWEZNQCLSA-N 448.570 2.098 30 10 IEEE C#CCC1(NC(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCC1 1477898185 SQBZHXQLTJPVSH-UHFFFAOYSA-N 449.573 2.350 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H](O)C1 1503603441 OHGAMWIVTNFISP-MJGOQNOKSA-N 431.562 2.239 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507574973 BKTZPNOFTZIWMW-YLJYHZDGSA-N 434.500 2.109 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1507606706 VEAKMHUMWUAAHV-BFUOFWGJSA-N 435.322 2.326 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507631802 GGXZLWUDLMBIEL-RBUKOAKNSA-N 446.548 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507661075 LXQZHRZKQHTRCA-ZTCOLXNVSA-N 442.560 2.120 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1507661505 XNWSHNKRSWMOPN-RUZDIDTESA-N 449.555 2.190 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC2=CCCOC2)n1 1507716418 KPQZAWDIGINZRR-UHFFFAOYSA-N 447.543 2.478 30 10 IEEE Cc1cccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1511221270 CHZQQRYJPDDGKE-GOSISDBHSA-N 429.546 2.308 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1515064164 IAWDQWQEELZHJE-UHFFFAOYSA-N 432.532 2.388 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)cc1Br 1538982711 LAQCBDWAFLBOIC-MRXNPFEDSA-N 427.320 2.125 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C1CC1 1539010904 CXWLDZNXMWFJOZ-MRXNPFEDSA-N 444.580 2.377 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1cccn1 1539025423 IDOWPPNETYTMRT-JOCHJYFZSA-N 446.603 2.388 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1539220276 QZZZIOIXAQTTPZ-SFHVURJKSA-N 436.965 2.186 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539417238 ZRGIVORRZRCSTD-SFHVURJKSA-N 440.596 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC=CCO2)CC1 1539488086 GREWIZWOCYDXCH-QFIPXVFZSA-N 449.555 2.211 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1539577759 ONBDMCHVGLIERX-UHFFFAOYSA-N 442.358 2.258 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1539621773 SKAPQRIYRSSNFB-MJGOQNOKSA-N 434.562 2.416 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2S(C)(=O)=O)ccc1F 1540061581 NGYJLBILVQIVKL-UHFFFAOYSA-N 426.491 2.254 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1540863223 RLIQFGWRIWHCAK-OAHLLOKOSA-N 445.495 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](C(=O)OC)C1 1540864974 QPXLXBXRGWGBEA-CABCVRRESA-N 443.573 2.433 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccs2)C1 1540881312 FPRHPAPRSDFQBB-IERDGZPVSA-N 431.562 2.265 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 1543969687 XVPLNGFWTNQFNP-OAQYLSRUSA-N 428.577 2.357 30 10 IEEE CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1545947732 CRFCDEFVJDGOMC-HRAATJIYSA-N 426.500 2.242 30 10 IEEE CCCC(O)(CCC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1546920999 FXRZOFHONKUJLG-APWZRJJASA-N 440.614 2.350 30 10 IEEE CN(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1552889311 CKQXPNGFIKSWSC-FQEVSTJZSA-N 434.541 2.029 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(C#N)o1 1554320125 HQKAGBDVKSOHGT-UHFFFAOYSA-N 438.513 2.344 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nnc(C)s1 1555055132 BUDQVALSLJNROQ-OAHLLOKOSA-N 425.518 2.475 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1 1556168447 JVHWZSJKZOMDRC-QFIPXVFZSA-N 440.565 2.370 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1559930597 AETUOFQCLDVHOT-LJQANCHMSA-N 440.569 2.225 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)CC1 1560178759 DXYBIYOCBHRXTF-JXALWOEJSA-N 447.624 2.448 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1565768944 LPGKDSLZTFXIOL-QPJJXVBHSA-N 436.427 2.223 30 10 IEEE Cc1nsc(NC(=O)c2ccc(I)cc2-n2cnnn2)c1C#N 1585893048 YBVNEDNHSVIUKX-UHFFFAOYSA-N 437.226 2.156 30 10 IEEE CCOC(Cn1ncc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1N)OCC 1586056055 QABNMKKKMUVUAI-UHFFFAOYSA-N 426.521 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](COC)OC 1588114032 ZFKFPIWXYYOVOY-MRXNPFEDSA-N 447.333 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1588162043 HCLMEGDRPXHHFS-SFHVURJKSA-N 427.936 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1COc2ccccc2O1 1588173640 GOXXIIQZRISDEI-LJQANCHMSA-N 435.528 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCCC2(C)C)CC1 1588929566 CWVBWRIDYCSUMU-NTKDMRAZSA-N 443.592 2.427 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C)C(=O)[C@H]1C 1588993192 FXTKOBIYCYJFGE-MRXNPFEDSA-N 435.557 2.369 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589560299 YPPDLNDDNMDUHS-NEYJZJCJSA-N 446.573 2.272 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cccc(I)c3N)CC2)nc1 1597244675 HPPVYJFRYVNFDU-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)CC2(C#N)CCCCC2)C1 1597577080 QCGCMPJZWGFKKW-MRXNPFEDSA-N 427.567 2.391 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)C1 1607582243 OJNZJRXFEKVYQE-IAGOWNOFSA-N 443.552 2.101 30 10 IEEE C[C@@H](c1ccccc1)N(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1611226308 DZCMTTNWANYLAK-JDAKFOBDSA-N 444.499 2.459 30 10 IEEE C[C@]1(C#N)CN(C(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CCO1 1617894127 BKXZALQEYQTCQO-QAPCUYQASA-N 443.363 2.184 30 10 IEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)CC1 1620354476 GEPQAKBUZMJEMH-UHFFFAOYSA-N 425.562 2.271 30 10 IEEE C=CCN1CCC(NS(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)CC1 1621762792 XBECJEDAHIYPLB-HSZRJFAPSA-N 436.397 2.391 30 10 IEEE C=CCN1CC[C@H](N(C)S(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)C1=O 1622074467 HFYDARQZNKZORI-IRXDYDNUSA-N 427.364 2.355 30 10 IEEE C=CCCn1cc(C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)nn1 1627549582 QLYKSNDELLSHKC-KRWDZBQOSA-N 428.489 2.428 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@]1(CO)c1ccccc1 1637622615 YINJBPPOFHMIJL-JOCHJYFZSA-N 427.526 2.016 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)=NO1 1640719875 WPFRFURXTCJOQL-KRWDZBQOSA-N 428.489 2.350 30 10 IEEE C=C(CCC(=O)OC)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1641699888 CXVMPOIRKDHVJQ-UHFFFAOYSA-N 443.504 2.418 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)Nc2ccccc2C1 1643721218 AOONNTSBPSFKFL-GOSISDBHSA-N 440.525 2.265 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 1647906348 LJCMIYXSGPWCRX-JOCHJYFZSA-N 449.573 2.496 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2CCS(=O)(=O)c2ccc(C#N)cn2)C1 1648111377 YMPXZZSYEVJXOI-ZWKOTPCHSA-N 434.562 2.448 30 10 IEEE C=CCN(Cc1ccccc1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1682992249 RFMKMWYPMRGGTE-UHFFFAOYSA-N 443.525 2.229 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C1)C2 1683590621 RKEVUWMZLGNIMJ-WOJBJXKFSA-N 442.516 2.317 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)CC=C 1690003513 PKMMBULPBJDONS-UHFFFAOYSA-N 447.358 2.381 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CCCC1 1690098335 DVMHLJTUQBDJLN-UHFFFAOYSA-N 446.573 2.397 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1690253389 PWRLOHWYUOBSLZ-BZSNNMDCSA-N 444.580 2.323 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCS(=O)(=O)N(C)C)CC1 1690384629 ZDLBCDZICKWEDW-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)(C)C 1697152682 HBPKUZLHZNKNFX-VQTJNVASSA-N 440.548 2.219 30 10 IEEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCCC1 1697224533 FUPGCGBJHXTZPR-INIZCTEOSA-N 446.577 2.356 30 10 IEEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)ccc1Cl 1697269502 NUNSXCFJWBRUIG-QWHCGFSZSA-N 440.957 2.194 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1705486849 MPFNBGQETVCFLQ-WFASDCNBSA-N 445.321 2.154 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCn2ccnc2C)c1 1705507277 WTRCGZFLGRAUIW-FQEVSTJZSA-N 447.543 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCO[C@H]1C 1705575067 WXMOHVXJMQUSHO-YWZLYKJASA-N 429.318 2.320 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1705643356 CRELDAJZUXIOBM-GOSISDBHSA-N 440.514 2.159 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705665133 KRXBHQDTDWLOGI-MJQMVNBJSA-N 431.606 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1705895842 UTFCYUWOPWYWON-ZIAGYGMSSA-N 433.354 2.441 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H]1C 1705937889 HWBXFQCTYYBPHJ-HUUCEWRRSA-N 437.591 2.105 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1706745796 IDYYRUDNPMPFHP-GCJKJVERSA-N 448.575 2.422 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1706751086 FZDHIYSKBZHQHQ-MRXNPFEDSA-N 442.545 2.434 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1708281352 FYLZKMCPODZKIX-JKSUJKDBSA-N 426.546 2.006 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2CCOC[C@H]2OC)c1 1722307911 YQFGAVKFZWLBNK-PZJWPPBQSA-N 437.544 2.338 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722351599 PPUSEJOCNIIRIL-PMACEKPBSA-N 439.514 2.424 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722371538 JZBVJXHFMBKFFG-NZQKXSOJSA-N 444.601 2.241 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC[C@@H]1CCCO1 1722384510 RIFLIINOAGHQLG-SIKLNZKXSA-N 436.512 2.449 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722458397 IIUIGCLNGNWRDZ-NQIIRXRSSA-N 444.649 2.291 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1722460212 WDUUGZWNVTWWRT-KURKYZTESA-N 440.635 2.188 30 10 IEEE C=C(C)Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722525540 BZCVLZAIZWMPCD-QHCPKHFHSA-N 433.597 2.443 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1722597019 PWGPRXGGLPFQMQ-HSALFYBXSA-N 441.557 2.269 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722604240 WOBSSRKFNYOCOA-SFHVURJKSA-N 438.580 2.475 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)C(C)C)C1 1722717066 CJAMKAZYQMYLPJ-HXUWFJFHSA-N 437.552 2.042 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1722720419 LCGNLMLIQOTACZ-GBXCKJPGSA-N 439.560 2.332 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CC(=O)N(C)C1CCCCC1 1730761003 FIVTWDORSCNFAX-UHFFFAOYSA-N 425.537 2.498 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1740581503 ZFUZLJUHQRDIJX-IBGZPJMESA-N 444.605 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1COCCO1 1740647035 MTSXCROTRSOJNR-KRWDZBQOSA-N 446.349 2.315 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740744699 FMBVBMMQJUCHPO-OAHLLOKOSA-N 426.359 2.385 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCNS(C)(=O)=O 1740755246 JFGJKAUOBUDHJC-PMACEKPBSA-N 447.605 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOCC)CC1 1740759312 ILDVYYBOSDYZLC-OFNKIYASSA-N 440.592 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740957340 KLZDTCDRPXKICG-INIZCTEOSA-N 440.577 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC=C(C(C)(C)C)CC1 1740986120 SQMOAWUWVLRFRR-UHFFFAOYSA-N 435.594 2.298 30 10 IEEE CC(C)COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1741587951 PKGRWVHJJIGWKI-SFHVURJKSA-N 447.561 2.140 30 10 IEEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1744132571 DKMBZZNTHSOJQT-YWZLYKJASA-N 432.504 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1748656267 PFSADYPKPKGBKM-VBKZILBWSA-N 448.365 2.241 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1748824284 NAQJCAMETLXCDN-DLBZAZTESA-N 434.587 2.369 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749114485 DCWDHTQDBZQLDV-HZPDHXFCSA-N 437.342 2.449 30 10 IEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC)C1CC1 1749508607 VHPWZGLVOYJKEQ-UHFFFAOYSA-N 445.593 2.228 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1749670603 UKKRMPLYEZALTB-GLJUWKHASA-N 428.364 2.494 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC=CCO1 1749827621 FUQRVYFAFBRTSJ-SFHVURJKSA-N 425.489 2.428 30 10 IEEE CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750573033 WCEAVIKHWSMBKE-UHFFFAOYSA-N 425.537 2.174 30 10 IEEE CC(C)SCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1751061346 BTXCLZWQHYLMFR-AWEZNQCLSA-N 425.518 2.464 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1C(F)(F)C12CCC2 1751206284 IFRSNWQVIAAITJ-ZFWWWQNUSA-N 442.536 2.454 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760138075 QUEKEHOOAZMVGN-RBUKOAKNSA-N 449.621 2.116 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760354156 PZCPZQNRFUXCPR-QGZVFWFLSA-N 437.903 2.282 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccs2)CC1 1760396348 BAUKOFTXBRMYQV-AUUYWEPGSA-N 439.607 2.260 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760424082 VRGBCGXRZWJREI-QGZVFWFLSA-N 435.536 2.334 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1760528743 LEFKVUUMJWPGMT-HOTGVXAUSA-N 431.541 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760556680 MQALVZBCIUWNSL-YOEHRIQHSA-N 439.607 2.096 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760559901 VESPPLDTQBEVKQ-IERDGZPVSA-N 437.610 2.500 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1760597600 BNSHIGRYAQQPEF-HKBQPEDESA-N 442.589 2.423 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1765497031 FQZHMKQBDBHSEX-XLIONFOSSA-N 443.983 2.353 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1766726697 FDOSFPJVPXZMST-NRFANRHFSA-N 441.561 2.496 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1766863106 ZOUTVQQAAZPALL-UHFFFAOYSA-N 426.521 2.130 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)CC1 1768276622 WIVQNLQPEXGGEM-UHFFFAOYSA-N 444.517 2.268 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768798819 MGZCWFAJXCSWDH-BSBNDGSWSA-N 428.537 2.325 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1772566734 LJJWNOIRZPYGGI-MRXNPFEDSA-N 442.568 2.067 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)CC1 1850899144 WHZNEBHCLOJJMB-HXUWFJFHSA-N 435.503 2.474 30 10 IEEE Cc1ccc([C@@H]2[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 1851835762 ZJDKJJQNJFGAAH-XUZZJYLKSA-N 447.539 2.147 30 10 IEEE CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852605620 LECCYYLXOMVDOI-LJQANCHMSA-N 428.558 2.395 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1853156682 YTAPIEDDVLPNKL-HNNXBMFYSA-N 430.983 2.216 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862642432 DYETYUNLTOLKNR-KRWDZBQOSA-N 432.360 2.019 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cc(Br)ccc1O 1864433278 OBLULIUPEXRZIK-AWEZNQCLSA-N 433.306 2.447 30 10 IEEE CC[C@@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868794814 GQRJFYVWZNDHCV-PGRDOPGGSA-N 431.606 2.084 30 10 IEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c(C)c1 1870151118 MUGRQNAAMRSLDP-INIZCTEOSA-N 444.451 2.446 30 10 IEEE C=CCOc1cn(CCN(C)C)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870386924 JOFYVDOIJVORSY-UHFFFAOYSA-N 426.561 2.306 30 10 IEEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870682471 XBSDFGLSQXIDPN-UHFFFAOYSA-N 438.572 2.257 30 10 IEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871025513 NPRLFALYPRXTDO-UHFFFAOYSA-N 426.502 2.448 30 10 IEEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN(CCOC)CCOC)nc1C(F)(F)F 1872799785 KYGNCPPVEHGSRM-LLVKDONJSA-N 437.440 2.110 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccn1 1874274431 MNOKWDTWIXBTDI-ZIFAQYRBSA-N 443.577 2.288 30 10 IEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCc3ccc(O)cc3)ncnc21 1875231647 XSQQSRLUSDBTRO-UHFFFAOYSA-N 434.500 2.273 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1963727724 OVKYYRDBRGVPON-PCCBWWKXSA-N 442.560 2.495 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1 2010229573 PVSGKSLSGRSSKX-RDPSFJRHSA-N 429.561 2.436 30 10 IEEE CCOC(=O)C(=Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 2040461180 CJGFEYFKGHRCPV-UHFFFAOYSA-N 429.450 2.056 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060625627 MPZIWBVRPLATER-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2060825970 OLRPLJMFMSFHPY-NHCUHLMSSA-N 441.576 2.212 30 10 IEEE C[C@@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164487828 QIWXYEFFCQPMAF-KGIZBLLCSA-N 437.493 2.044 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2224134969 AHWKIHBIIAYISJ-RDJZCZTQSA-N 433.358 2.499 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2241475717 DCSQRBBWNYLDSQ-UHFFFAOYSA-N 431.323 2.099 30 10 IEEE C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247777397 MLTAYZSISAJWKS-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2247841412 WMUDVZADDAQVBJ-VQFNDLOPSA-N 425.363 2.303 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247881430 XRQRZMDISKNNHJ-AWEZNQCLSA-N 440.371 2.177 30 10 IEEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396771 DRFDXIIKCWJILT-GFCCVEGCSA-N 441.359 2.311 30 10 IEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255343948 BZVRALDYGZSXAX-XJKSGUPXSA-N 436.314 2.214 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255818835 QUHVSECPWZVECZ-GJZGRUSLSA-N 435.305 2.305 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267153244 WJFPNBOGSCUBCS-OAHLLOKOSA-N 448.373 2.189 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267494693 VDJLDBGAFJUHRX-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CN(CC1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2267524001 JQBJWNGYFUMMBO-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1NC(=O)OC(C)(C)C 2267531553 RRGYJOAVRXVNEU-KBPBESRZSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2267595886 YEXULROLZLTCFK-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 2267598652 CMYLUODSAUEBKP-UHFFFAOYSA-N 445.369 2.454 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267600128 AZOQTISIBGWZCD-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)nc2)OC1(C)C 2267608571 HHNIEVPAACPQET-FQEVSTJZSA-N 437.349 2.012 30 10 IEEE COCC[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2267616709 XYECUOFBMLSZRB-INIZCTEOSA-N 449.357 2.040 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267819372 OMXXVOZSCVOKBE-QHCPKHFHSA-N 447.385 2.424 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268671471 LTQUYOPTGJQJMD-SFHVURJKSA-N 446.353 2.415 30 10 IEEE C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268714536 KVOITHWXSMJZRY-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE CC1(C)OB(c2cc(O)c(C(=O)N(OCc3ccccc3)C3CNC3)cc2F)OC1(C)C 2339409878 HATDEKWVKRMRSU-UHFFFAOYSA-N 442.296 2.376 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2nc(F)ccc2Br)CCN1Cc1ccccc1 2342394726 ZDGIIGUZAAKDEZ-CQSZACIVSA-N 439.310 2.382 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC(=NO)C[C@@H](C2)C1 2365544752 MMVXEXWNKHJVIK-HZPDHXFCSA-N 433.530 2.345 30 10 IEEE C=CCn1c(SCC(=O)NCc2nnc(CC)o2)nnc1-c1cccc([N+](=O)[O-])c1 59882729 CTBSBGVTKCFCBA-UHFFFAOYSA-N 429.462 2.393 30 10 IEEE CC1=NN(c2ccccc2)C(=N)/C1=N\Nc1cccc(S(=O)(=O)N2CCOCC2)c1 102569890 XMQQIXLHJYDQPI-KNODSWFNSA-N 426.502 2.349 30 10 IEEE Cc1ccc([C@@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 103122833 UOKOTSHUAYUGHY-LAFOYAEKSA-N 426.425 2.334 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1 109941245 ZBCDOTUUWIKIEV-LJQANCHMSA-N 431.477 2.258 30 10 IEEE CN1CCC[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(C(F)(F)F)cc1 410129943 KPEXGOOFPHYTSZ-KBAYOESNSA-N 446.495 2.147 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 433251169 BKWSJXFENRQXLA-UHFFFAOYSA-N 444.561 2.416 30 10 IEEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)s1 462581487 POSYFFMMOXQQGF-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE COC(=O)[C@](C)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 463439406 ASGBDWDKFAROOA-XMSQKQJNSA-N 444.532 2.274 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 477972994 FFUYMGLIOOVDLP-GQWLDOHISA-N 435.509 2.083 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c(F)c1 479059789 UFFPTXWOLYZQPU-FQEVSTJZSA-N 439.466 2.469 30 10 IEEE CCCc1c(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cnn1-c1cc(F)c(OC)cc1F 481122240 OXPOZASHBVYXEW-UHFFFAOYSA-N 430.415 2.124 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc2ccccc2s1 509011467 KEDPWNPTRGOLBF-HNNXBMFYSA-N 448.574 2.043 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@@]3(CCCOC3)C1)CCCC2 510608179 JXWTZFZQHSMDAM-UUOWRZLLSA-N 442.560 2.237 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCSC)c2=O)c1 538497666 HFEVBSGLZKWXEV-UHFFFAOYSA-N 431.583 2.103 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 558817380 CWDMKZAXZREHQK-UHFFFAOYSA-N 438.553 2.301 30 10 IEEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1 583623394 HRNDRBHMPFQXKI-UHFFFAOYSA-N 428.297 2.339 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1 586074298 SSAAEIQXUUQULN-LJQANCHMSA-N 426.498 2.100 30 10 IEEE Cc1occc1C(=O)NC1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 727426024 HTMNOMXLSHXHPU-HSZRJFAPSA-N 435.484 2.079 30 10 IEEE CC1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732696325 CPUWSURSMXAADG-LJQANCHMSA-N 431.562 2.311 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)cc2C1=O 740159279 ZHOTZKZGNYDCLV-QGZVFWFLSA-N 442.855 2.357 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCO[C@H](C(=O)OCC)C2)c1=S 741242063 NPZUHXGGZJWLGO-ZWKOTPCHSA-N 446.529 2.334 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCc3cc(F)ccc3F)CC2)o1 761513084 GQHQNDPPWDTPLG-UHFFFAOYSA-N 432.427 2.348 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cn1 764744094 AXMFVYRUJGNDNP-MRXNPFEDSA-N 440.847 2.419 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cncs3)c(=O)n2C[C@@H]2CCCO2)cc1 764976505 GCJXZQGUJREHQB-INIZCTEOSA-N 437.546 2.240 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)cc1 765229675 QENDIUDOXIOLPS-UHFFFAOYSA-N 425.260 2.457 30 10 IEEE Cn1ccnc1C(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 770872009 QPBJQRJCEQVXTP-MRXNPFEDSA-N 434.905 2.066 30 10 IEEE CCCN(C(=O)c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 771217079 RBYWCXVNCNAQCZ-GOSISDBHSA-N 425.533 2.084 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 783012478 QUDYAGGOGDTMIJ-SJLPKXTDSA-N 445.944 2.430 30 10 IEEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)c1c(F)cccc1Cl 785137513 BIZGYBZILGVOET-KRWDZBQOSA-N 440.836 2.087 30 10 IEEE CC(C)=CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 790708720 KLOATKHPFDBIQX-GOSISDBHSA-N 445.589 2.141 30 10 IEEE Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1C 792221227 JDWJDHBQBPKXSK-GOSISDBHSA-N 426.908 2.280 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 794838408 OBSCVKPTERSOOR-ZWKOTPCHSA-N 426.494 2.037 30 10 IEEE Cn1nncc1-c1csc(=NCC(F)(F)F)n1N=Cc1cnn(-c2ccccc2)n1 794853266 WKFBUODBURFSQS-UHFFFAOYSA-N 433.423 2.271 30 10 IEEE CCn1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(C)cc2)cn1 795177437 KJSBWAFUHMJSNR-IBGZPJMESA-N 442.589 2.411 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)Oc2ccc(C#N)cc2I)cc1 798471436 NOIXORUOOBTJNN-UHFFFAOYSA-N 442.234 2.290 30 10 IEEE O=C1CC[C@H](c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)CN1CC1CCCC1 856583139 XRIKJHXUEAXCJJ-HNNXBMFYSA-N 443.529 2.205 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 927569122 CWHDDFIMJIKCPX-JQHMZKTJSA-N 445.541 2.074 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)C1=O 1132108507 YAZSIWQBAHNOSB-TZMCWYRMSA-N 434.290 2.130 30 10 IEEE COC(=O)[C@H](Cc1ccncc1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1141412141 AHLHZWNFTLNGBI-KRWDZBQOSA-N 443.301 2.052 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCCNc2ncccc2C#N)C1 1142386888 ZGDDWXPKZYOINA-CVDCTZTESA-N 437.500 2.298 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1149431712 DKVXVFFIQDLAGN-INIZCTEOSA-N 437.525 2.200 30 10 IEEE CC(C)[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 1161688873 CFLGIXSHKWEAIE-PMACEKPBSA-N 435.933 2.364 30 10 IEEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1162141832 VCZHLUBNBCNHEK-WBVHZDCISA-N 435.546 2.318 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C/C=C\c2ccccc2)CC1 1286490889 WBOAGQWWQYFDPY-TWGQIWQCSA-N 427.512 2.414 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1286727789 ZWSRJYOBWCBYDN-INIZCTEOSA-N 441.598 2.324 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1286791924 HLLWTQDJYDXBEB-UHFFFAOYSA-N 447.923 2.202 30 10 IEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286796724 MYDQQDGIIBDNGU-UHFFFAOYSA-N 426.565 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2)CC1 1286825217 OBTVPOSMCLLTST-HXUWFJFHSA-N 445.589 2.447 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1286834360 GBPMFPRIGODKRK-UHFFFAOYSA-N 445.568 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1293214258 GSLYVNKLMOENNE-DOTOQJQBSA-N 429.521 2.068 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1296129593 AUVWHXNOZZZZBB-AVRDEDQJSA-N 426.544 2.117 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1299682474 CSUMMBDXTHUEDP-WOJBJXKFSA-N 439.564 2.436 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1cccs1 1300441195 GFQNFUXFDCXXOU-FQEVSTJZSA-N 430.555 2.387 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1300510801 BINJCLKCPANEHU-MRXNPFEDSA-N 449.964 2.036 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300547176 HZGUNDITJNDUFA-YADARESESA-N 436.512 2.277 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@]2(C)CCCO2)n1 1300681273 LTAUIZHMXQJBOD-HSZRJFAPSA-N 437.548 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)CC1 1300716784 RCVGGJUFIMLJDX-UHFFFAOYSA-N 444.495 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC(=O)N[C@@H](C)CC)CC1 1300729114 NFPAFRNKFOUIQZ-SFHVURJKSA-N 442.608 2.281 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1 1300733631 YWKCKJHLAIDSEJ-UHFFFAOYSA-N 426.590 2.453 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC[C@@H]1C 1300836945 BADNFPAIPVTPBE-OXJNMPFZSA-N 438.532 2.116 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301227653 URKMHPFTAJJBIH-IBGZPJMESA-N 432.594 2.338 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccc(C)c2)C1 1301554789 NGHQTAPSQFYCCU-IBGZPJMESA-N 433.516 2.255 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1301569118 PZVPMGQTLYGHEG-HNNXBMFYSA-N 441.598 2.317 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301595597 XLZUWOQWRFMHLT-HNNXBMFYSA-N 438.598 2.439 30 10 IEEE COCCN1C[C@@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1301861976 BSWPLYZUXICZQF-WMZHIEFXSA-N 440.523 2.000 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1Cc1ccc(C#N)o1 1302095179 SQFQJFZEWINDOL-DLBZAZTESA-N 444.536 2.208 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1302149726 ABJIOXOPIRZDRX-REWPJTCUSA-N 441.532 2.254 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCN2CCCCCC2=O)CCO1 1303002999 APFBWTBJKRKAHU-GOSISDBHSA-N 428.562 2.452 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCOC2)C1 1303937799 UOYUKSADRJZGHW-AVRDEDQJSA-N 430.553 2.087 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1315982414 VHJJDGDQSOMGMY-FCHUYYIVSA-N 435.569 2.236 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(C)(C)O 1316198783 NFXWMUVLQONYFI-SFHVURJKSA-N 442.564 2.361 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)OC 1316298791 MPOANUUXOFYGCY-RCOXNQKVSA-N 441.532 2.487 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1Cc1ccccc1 1318845990 WUUQXAGYUTZFAE-UHFFFAOYSA-N 443.572 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)C1CC1 1358972499 HFPXEUXRIGRZOC-UHFFFAOYSA-N 426.318 2.307 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(N(C)C)CCSC1 1358979678 UFRXIVMEYXYCRA-REWPJTCUSA-N 437.569 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1358991585 HLLMRMRXKNWVOL-NRFANRHFSA-N 445.527 2.173 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1359069698 VBQOYYTYEPLKRH-FDDCHVKYSA-N 438.507 2.099 30 10 IEEE C=C(C)Cn1c(N(CC)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359124744 BBQVTKRERGJKNX-IYBDPMFKSA-N 441.598 2.496 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1359195956 UZKYZRGSFSYQIR-UYAOXDASSA-N 436.560 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359295673 KJAQALMFYLDELH-SUMWQHHRSA-N 446.914 2.097 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(c2ccccc2CO)CC1 1359302867 VYQVSIAOKVCRMF-UHFFFAOYSA-N 446.555 2.442 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C1 1359322718 AXWXWVTUNPFEDF-CTNGQTDRSA-N 441.576 2.380 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1359455095 FZPIEKMKXCFQQS-NRFANRHFSA-N 444.561 2.005 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCCOC1 1438117029 ZXDJFVFDKGORFW-KKSFZXQISA-N 425.526 2.440 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)cc1 1441671538 XXQQHKQOXYMRSX-ULJHMMPZSA-N 447.517 2.430 30 10 IEEE N#Cc1cccc2c1CN(C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 1452693679 GVLNLROWTGQOBP-UHFFFAOYSA-N 425.388 2.278 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1457931894 YYWQULCHBWXCAV-CQSZACIVSA-N 443.363 2.128 30 10 IEEE N#C[C@]12CN(C(=O)CCCCOc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1463162674 FAMSKEBUTRIQGV-KBXCAEBGSA-N 441.347 2.395 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CSCCSC2)cc1 1464274422 VEUWPMLMROSUFS-MNDPQUGUSA-N 428.605 2.135 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1469508818 VORQUTVBMZIJLY-SJORKVTESA-N 429.583 2.266 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 1469533642 DCAOFQAAYMXREL-IFMALSPDSA-N 438.553 2.449 30 10 IEEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1470359577 YXKZQKBHPGAAFV-UHFFFAOYSA-N 437.493 2.252 30 10 IEEE C=CCn1cc(CNC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)nn1 1470584235 NBXKMNVMHFYIFC-JSGCOSHPSA-N 432.447 2.309 30 10 IEEE C#CC1(O)CCN(C(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 1478385184 AJCDBWGFSOATDK-KRWDZBQOSA-N 434.334 2.423 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 1479060244 AIWDNYVSHPRRSM-INIZCTEOSA-N 431.562 2.269 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1499966299 WBMWREFNCOMKDL-DEOSSOPVSA-N 446.559 2.408 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C1 1505314897 KSNXFEUBCPKPNO-UZLBHIALSA-N 439.557 2.362 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1507595475 QXSPQKHAIHKRKX-UHFFFAOYSA-N 431.924 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(N(C)C)CCOCC1 1507709208 RLJPVEUALGZUJX-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2CCOCC2)n1 1507717827 ZKUQFSAGBWXWSB-OAQYLSRUSA-N 442.564 2.429 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCOCC1 1507769720 BEYDACHOXQYJEQ-HSZRJFAPSA-N 425.581 2.243 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)CC(F)(F)F)C1 1508108807 LULPLHCNBZWUNE-MRXNPFEDSA-N 444.502 2.180 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2)C1 1508109763 NRZVHXSDNGHCSY-RHSMWYFYSA-N 439.969 2.371 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1Cc1nncn1C 1519166525 HZEFLUZYVDXRDV-UHFFFAOYSA-N 445.325 2.251 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC(=O)N2C)cc1 1531354684 NHLSQXHZHPEZGW-FPOVZHCZSA-N 430.468 2.365 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1nc(CSC)n[nH]1 1535180294 VLFCCMPOGZUMHC-UHFFFAOYSA-N 440.323 2.396 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)c(OC)c1OC 1538963896 VGTXRJPELSIHRG-OAHLLOKOSA-N 429.521 2.143 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539210867 HGVGCAIUTPXPOX-QGZVFWFLSA-N 429.571 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539483101 RZBOESLUICKJFW-GOSISDBHSA-N 444.580 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)[C@H](C)C1 1539636949 NHNGHCMFLRZFMQ-LSWJPFSZSA-N 440.592 2.402 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1539781949 ROULMAGLGSXXTO-UHFFFAOYSA-N 442.495 2.418 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1540126880 MAPQDIWVPIAJBT-WZONZLPQSA-N 425.533 2.247 30 10 IEEE CO[C@](C)(C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1540747026 ODCWDSDLGGNJOY-JOCHJYFZSA-N 445.495 2.261 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N2CCOCC2)C1 1540885075 BDZNUFHOUNNTDE-SFHVURJKSA-N 431.924 2.239 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NC(C)C)C1 1540893204 YPUGPCPMGFPPBL-APWZRJJASA-N 427.505 2.097 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1542996667 GSQDGPOMXRUSOB-UHFFFAOYSA-N 438.561 2.408 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3ccc(Br)cc3)CC2=O)cn1 1543289411 UZNKSBDYFZHNFD-PBHICJAKSA-N 446.305 2.026 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(OC)CCOC1 1545544113 PXSZOBXBSDLCEQ-JTSKRJEESA-N 425.537 2.190 30 10 IEEE CCn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)cn1 1547617292 BALCUJQYSHYIQJ-UHFFFAOYSA-N 439.545 2.353 30 10 IEEE CN(C)c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)cn1 1552835376 WMOJSUKYDJOXKH-MRXNPFEDSA-N 439.470 2.385 30 10 IEEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555467369 YWSILWRZAUUANI-UHFFFAOYSA-N 439.564 2.037 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCC(OC)CC3)nnc12 1558993992 MCWAGLNZNGWZIO-UHFFFAOYSA-N 427.530 2.396 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1 1564796156 XRCMZBXSFHUGLR-QGZVFWFLSA-N 441.482 2.314 30 10 IEEE CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n[nH]2)c1C 1565630113 RXSGYWMIPKUVBW-UICJJRBLSA-N 425.493 2.117 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CCCN1CCCO 1569469880 GNNALTBVQAWPGJ-HNNXBMFYSA-N 440.338 2.061 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1587766099 OFFPALMPQUNQON-KRWDZBQOSA-N 432.546 2.334 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1csc(COC)n1 1587985024 QWHIXGQKQKRFNH-UHFFFAOYSA-N 438.561 2.173 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1589097492 QNSCYNBRFXCMHV-QFIPXVFZSA-N 427.574 2.140 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1593782000 DFUXQJAJYDPSAW-KRWDZBQOSA-N 443.577 2.362 30 10 IEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1594626849 PQZLZKJOJXSYFC-OALUTQOASA-N 427.505 2.098 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1595613243 AMJMQJUWRFYWRO-GOSISDBHSA-N 433.516 2.311 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1596244114 LNQAILSPGJWTCH-HZPDHXFCSA-N 435.525 2.478 30 10 IEEE C#CCN(CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)C(=O)OC(C)(C)C 1598373869 BNGADGHSYXZAKT-QGZVFWFLSA-N 429.517 2.340 30 10 IEEE CNC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618785386 FCGKGMGAAUXXOW-UHFFFAOYSA-N 437.891 2.270 30 10 IEEE CO[C@@]1(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCOC1 1619062900 MYRLYBLFDVNFMK-NRVIRDBHSA-N 448.568 2.450 30 10 IEEE C[C@@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1ccc(-c2cccc(C#N)c2)cc1 1624983780 YNXYONJTGOWSAI-CQSZACIVSA-N 436.493 2.271 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1626072737 OINWHQUSUZDISC-UHFFFAOYSA-N 426.498 2.345 30 10 IEEE CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1627323882 MMIXJZQQOWRYDO-UHFFFAOYSA-N 437.581 2.369 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 1631286668 GGPFPQODGGKFOP-ZDUSSCGKSA-N 430.486 2.214 30 10 IEEE C#CCN1CCC[C@H](NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)C1 1634555458 YHLJAAUGZITGIT-HNNXBMFYSA-N 427.364 2.215 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)OC)cc32)cc1 1641069785 GGLLSJGPADFIBJ-LJQANCHMSA-N 440.521 2.235 30 10 IEEE Cc1cccc(CN2CCN(C(=O)Cn3cc(C#N)c(I)n3)CC2)c1 1641226279 UWLZITMWFQRVNP-UHFFFAOYSA-N 449.296 2.012 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)N3CC(Nc4cccc(C#N)c4)C3)CC2=O)cc1OC 1641580628 RIQAYXUYCRIMGG-IBGZPJMESA-N 448.523 2.289 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(COc3ccccc3)cc2)c(=O)n1C1CC1 1644153982 BMSQQWWXDSCWSD-UHFFFAOYSA-N 444.491 2.420 30 10 IEEE COCCNC(=O)CSc1ccccc1C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1644583222 KHQKHGYIMVGUJA-LJQANCHMSA-N 427.526 2.219 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cccc(Cn3cncn3)c2)c(=O)c1C#N 1648749797 DBUITDXWOIGNSO-UHFFFAOYSA-N 427.262 2.123 30 10 IEEE O=C(c1nc(N2CCCC2)ncc1Cl)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221018 LFLXGTOOKPNBBW-UHFFFAOYSA-N 429.864 2.248 30 10 IEEE Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039161 KCWRXEFFSAYOPA-UWVGGRQHSA-N 434.283 2.492 30 10 IEEE O=C(CN[C@@H]1CS(=O)(=O)Cc2ccccc21)NCC#Cc1cccc(C(F)(F)F)c1 1659529460 SUGOCKVRWGGFGS-LJQANCHMSA-N 436.455 2.432 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 1662965009 LYXUGTPDVDJYMK-UHFFFAOYSA-N 429.498 2.300 30 10 IEEE C[C@@H]1Cc2cc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2O1 1675825576 DQAHREUSLXRXFH-MRXNPFEDSA-N 440.525 2.098 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H](C#N)C1 1681434566 PKLMLWJEHKKZDD-JOCBIADPSA-N 448.545 2.050 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCC(OC)CC1 1689860657 FRFOCFJWCYQODJ-SFHVURJKSA-N 427.597 2.487 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689992010 FVWUMLVYTHVIQN-UGKGYDQZSA-N 430.574 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1(=O)=O 1690040987 VYZDWAOBOMSZJI-SFHVURJKSA-N 440.525 2.104 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1csc(-c2ccco2)n1 1690092558 MXQFGVWUWDPARD-UHFFFAOYSA-N 428.518 2.267 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690321555 FOWRJVSULHFNJU-XHSDSOJGSA-N 434.459 2.362 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1690485545 WFOIMQUWDKBUMR-MRXNPFEDSA-N 425.580 2.275 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2ccc(Cl)nc2C1 1690731272 GIJKXWKHSFZTMH-MRXNPFEDSA-N 437.953 2.342 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC(F)F 1692662065 PHBZTSYMVVFMKZ-CYBMUJFWSA-N 427.477 2.369 30 10 IEEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)(C)C)CC[C@H]21 1696848501 VDFRNHOYLAVVJN-RBUKOAKNSA-N 449.559 2.036 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)C1 1697061533 FPHGSONVXZYKLG-LJQANCHMSA-N 432.484 2.366 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1705567938 DEKGDJFNGVZDIG-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCCc2ccccc2)CC1 1705641573 KXGNNLABAGNNPW-UHFFFAOYSA-N 434.588 2.125 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 1705663149 XUTISGMAQLEXEQ-UHFFFAOYSA-N 432.619 2.353 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)C)C2)C1 1705929577 SZJRZCUAMOQXPH-PMACEKPBSA-N 430.597 2.302 30 10 IEEE CC(=O)N1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1 1705967654 GLCDMNANYAUVJL-CQSZACIVSA-N 427.509 2.003 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCOC(F)F)CCO2)c1 1712878754 KQXXCYGPHYYEFQ-SJORKVTESA-N 446.458 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCc1ccccc1 1722297836 PMIBCSLSMQKPQU-IBGZPJMESA-N 441.539 2.333 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCO[C@@H]2C)c1 1722305834 VOYNGYGSWUSKFT-MZNJEOGPSA-N 449.511 2.443 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)C(C)C)c1 1722308698 DLTOEDOSNSPFPR-JPYJTQIMSA-N 425.533 2.245 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722359199 JHSQRSGUPBLJMA-WOJBJXKFSA-N 437.525 2.136 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722383179 IXPQFORKEAOYLI-FQEVSTJZSA-N 441.539 2.005 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1722499545 CSZWWMYNOBSWTK-CYBMUJFWSA-N 441.627 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722509001 VNSRTEDYUXSEPR-HKUYNNGSSA-N 441.580 2.355 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722563990 FFCITEJCNOLGCG-NQIIRXRSSA-N 438.594 2.442 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)CC1 1724011247 YAUQNHDJVJMSMS-UHFFFAOYSA-N 428.562 2.343 30 10 IEEE CNC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C#N)CC1 1729723231 DRMASCWDTHAGFE-UHFFFAOYSA-N 447.337 2.496 30 10 IEEE CO[C@H](CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1729855872 PKTLITRMHIIZJJ-NVXWUHKLSA-N 437.470 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740987725 XYGVYGUWXDASSN-SJORKVTESA-N 425.599 2.086 30 10 IEEE CC(=O)N1CCC(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1741024038 YPVODHQFKQMEPS-UHFFFAOYSA-N 436.564 2.253 30 10 IEEE CCC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1745276118 KKHMDDPCRYHMOJ-IBGZPJMESA-N 435.536 2.087 30 10 IEEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1746668174 AZYMDSUZMIMZEO-LPHOPBHVSA-N 425.480 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(CC)CC 1748649114 JQAUDTWNWVCGGD-MSOLQXFVSA-N 446.621 2.384 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cnccc2OC)c1 1748692439 HNBDHMKWSKIPPJ-SFHVURJKSA-N 446.511 2.290 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748824288 NFDAOTJBCALWTI-RBSFLKMASA-N 448.511 2.386 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749198981 ZDVDNUJNQZFYKC-UHFFFAOYSA-N 438.561 2.030 30 10 IEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749451640 BJVWUHHYLUKDOY-INIZCTEOSA-N 437.541 2.147 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1749484915 KOJDOQYDAVSFHQ-UHFFFAOYSA-N 428.518 2.041 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C 1749586396 SYSNROJPKWZBOX-SFHVURJKSA-N 440.548 2.257 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1749686695 DJMUGKHROYPNCB-UHFFFAOYSA-N 448.518 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2nccs2)C1 1749721267 FGZBGLAOFJPVTG-HUUCEWRRSA-N 425.580 2.427 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1COc2ccccc2O1 1749830539 MOXBLWHLAXCQDZ-QZTJIDSGSA-N 427.505 2.379 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1760099421 GQEZQCNORUFZPB-OPAMFIHVSA-N 429.521 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCC1 1760101414 PFXHMDPUTAHRIE-QGZVFWFLSA-N 443.621 2.490 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1760125502 ZROIQQHUKOSJLY-IAGOWNOFSA-N 432.546 2.291 30 10 IEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1760139223 VLEDJTXCPCASFD-SJORKVTESA-N 448.568 2.090 30 10 IEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760140156 CRCKYFRBRFZFIT-UHFFFAOYSA-N 434.588 2.381 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760147941 IQVSBOUHXGCOOP-ZDUSSCGKSA-N 426.340 2.072 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccccc1 1760206764 LMIGOOKVYWZNGO-HSZRJFAPSA-N 433.537 2.250 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1760260454 SWGRJRNWLBUOPN-LJQANCHMSA-N 431.544 2.378 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1760262756 ZHLCEHAIXPFKNW-HSZRJFAPSA-N 447.562 2.461 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1760279508 BARMIGFHWQADPX-MSOLQXFVSA-N 429.546 2.374 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760328637 YWVBKUVWZHZZGY-MLHJIOFPSA-N 426.583 2.370 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1760528742 LEFKVUUMJWPGMT-CVEARBPZSA-N 431.541 2.391 30 10 IEEE CC(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1761095021 PAMPVNMYNLQXMM-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE CCCN1CC[C@H](Cn2c(COCC)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1766095534 ANDQHLKQPHEILP-IBGZPJMESA-N 438.580 2.140 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1769846651 BJQDPPRCEJPOIV-HZPDHXFCSA-N 430.475 2.380 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)Nc1ccc(F)cc1 1770177431 PRMMNZXKPQUSTI-VCBZYWHSSA-N 430.484 2.376 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)o1 1771533466 MKFJVGAPNMMURH-CYBMUJFWSA-N 442.417 2.317 30 10 IEEE CCOC(=O)[C@@H]1CCCN(CCNC(=O)c2nc(C)c(Br)c(C)c2C#N)C1 1851674510 DDWYJCWYEDZLBG-CQSZACIVSA-N 437.338 2.338 30 10 IEEE COc1ccccc1Cc1noc(C2CN(C(=O)Cc3cc4c(cc3C#N)OCO4)C2)n1 1852730849 NMJIOVYBIAAWCT-UHFFFAOYSA-N 432.436 2.438 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1ccc(F)cc1 1852828930 JQYMPRRQFLQWCM-OALUTQOASA-N 446.548 2.475 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)[C@H]1C 1854752274 ZYXFNBAGSYBZNF-RTBURBONSA-N 433.574 2.031 30 10 IEEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)C1 1855520506 DMMYOQFHPXXWKW-AWEZNQCLSA-N 445.994 2.049 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)Cc4ccccc4F)C(=O)C3)C2)s1 1856346893 AISCVVWTTHRERK-KRWDZBQOSA-N 426.517 2.247 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H]2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 1858393062 DFOWHLNSMBRRGQ-QGZVFWFLSA-N 430.464 2.422 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862594010 OBTPPZYDNJCPTP-GOSISDBHSA-N 425.397 2.015 30 10 IEEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870348805 MZLDOBDLMDSTTP-UHFFFAOYSA-N 438.528 2.033 30 10 IEEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870516534 LUUJWAGOZOHSKU-UHFFFAOYSA-N 439.560 2.047 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870983270 PSNMEANCTJTFEC-IBGZPJMESA-N 442.472 2.229 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871628367 PVXLDCIOFHBEFR-UHFFFAOYSA-N 430.520 2.212 30 10 IEEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N2CCN(C(C)=O)CC2)n1 1871709150 QCSFRHBDLWTPQQ-UHFFFAOYSA-N 438.580 2.458 30 10 IEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1OC 1874435280 WPYALRIDLLEXDE-LSFURLLWSA-N 449.533 2.105 30 10 IEEE COc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890307523 FGZPOEJDYLZHPU-UHFFFAOYSA-N 443.588 2.111 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2235727746 ZEGVPCXTSXRZDQ-FXAWDEMLSA-N 439.350 2.387 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](F)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904999 RDXLMCWYIPLPJU-HUUCEWRRSA-N 448.366 2.441 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256599968 ZWQHIENHNHAVNB-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2258963039 NYYFDSRNSWZKHJ-UHFFFAOYSA-N 435.374 2.117 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2264254711 JDKYSQQLAMTNEF-ZHRRBRCNSA-N 434.342 2.154 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267107644 BFYNECKDBRCBIL-ROUUACIJSA-N 446.353 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267163743 JMKIAVDFRGQMPK-JOCHJYFZSA-N 446.357 2.153 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267259948 HKPAOEXOGFDIHO-CABCVRRESA-N 446.357 2.151 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267525732 IWDXLHCCEIEILO-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)n1 2267525767 JFUQLNPQEJHEQZ-KOSHJBKYSA-N 436.365 2.207 30 10 IEEE C[C@@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268710875 JNBMGOUHPMAAFF-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NCc3c[nH]c(=N)s3)cc2Cl)OC1(C)C 2282847145 UVRBGIPRQLRTGF-UHFFFAOYSA-N 435.789 2.048 30 10 IEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1 2296612503 VYVSYGUCFFQLNG-IBGZPJMESA-N 444.557 2.242 30 10 IEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(O)cc2)cc1 2296929617 PICTZUPABGHIER-HXUWFJFHSA-N 427.453 2.222 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2310284077 KXADGJVMPKKEBH-CAOSSQGBSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2310284270 VVDAFJBEABADDC-XLKGFZLASA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2316127379 GZGXVRWVLPXZKK-UHFFFAOYSA-N 435.374 2.069 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1c[nH]c2ccccc12 2330717928 JBVFYQCOWVPHEV-UHFFFAOYSA-N 427.534 2.238 30 10 IEEE CCCNC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331124144 YQZDZHDFFWOWAJ-UHFFFAOYSA-N 432.384 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2336903808 XERKYWWOFYHSKC-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337198929 PGTBQLICZDWZMW-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cc(Cl)cnc2-n2nc([N+](=O)[O-])nc2Br)OC1(C)C 2339440311 HPUDEGNHSONGMV-UHFFFAOYSA-N 430.455 2.286 30 10 IEEE COc1nc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339785367 UCLQKJJZZLBHKN-HNNXBMFYSA-N 449.357 2.119 30 10 IEEE Cn1cc(C#C[C@@H](NN)c2ccc(I)c(Br)c2)cn1 2340450627 WJAFTBTUWJTBAD-CYBMUJFWSA-N 431.075 2.343 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1nc(Br)nn1CCOC 2353689257 ZXBSVQHEZVHBQI-CHWSQXEVSA-N 430.347 2.254 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)cc2C1=O 15996420 ZRZMURBTUBZADR-JOCHJYFZSA-N 449.507 2.281 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cn1 59832460 BOCAQTDLWXXWSK-AWQFTUOYSA-N 439.505 2.322 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)n3c(=O)[nH]c4sc(C)cc4c3=O)cc21 96542412 YQGPAFRTRSUJBK-LBPRGKRZSA-N 425.466 2.415 30 10 IEEE O=C1CSC(=Nc2cnn(Cc3ccccc3F)c2)N1CCn1cc([N+](=O)[O-])cn1 254489779 ZDZWSLIIAVKAAL-UHFFFAOYSA-N 429.437 2.438 30 10 IEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2)c1ccccc1 254702560 RXCMKUGVRHFVTE-QAPCUYQASA-N 430.507 2.326 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)C1=O 439420943 NEOOHSVXXUGLMI-SFHVURJKSA-N 443.529 2.274 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)c3ccsc3)nnc12 474666512 XWSWQFIERRIPIS-HNNXBMFYSA-N 441.538 2.234 30 10 IEEE N#CC[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccccc1 476478803 CPYREHWVTJGIPY-KRWDZBQOSA-N 429.498 2.439 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CSCC(=O)Nc3ccc(F)cc3)C2=O)cc1 485993089 JKWALDPPDYSRBT-LJQANCHMSA-N 440.500 2.286 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 508452196 MGVAORJHODZHIZ-UHFFFAOYSA-N 441.509 2.109 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccncc2OC)CC1 508478632 SJRAXIAXNFROKQ-UHFFFAOYSA-N 439.545 2.186 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)cc1 517462012 YEWWWFIJIMLIQN-UHFFFAOYSA-N 438.452 2.245 30 10 IEEE COc1ccccc1N1C(=O)C(Sc2nc(C)cc(C)c2C#N)=C(N(C)CCO)C1=O 526695609 UKTWFULRMWPSRH-UHFFFAOYSA-N 438.509 2.380 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3COCCO3)n2CCc2ccccc2)CC1 549566747 GHQGIYGDCWKAKU-NRFANRHFSA-N 445.527 2.202 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1 549634052 HWLLLQZSKSLBCR-UHFFFAOYSA-N 426.521 2.436 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(CCc4ccco4)n3C[C@@H]3CCCO3)CC2)n1 549855220 PTDIOHMQFKLWRI-FQEVSTJZSA-N 433.516 2.429 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c(F)c1 585716001 YSPTUUVWSLWKRA-HXUWFJFHSA-N 444.894 2.157 30 10 IEEE Cc1ccc(CNC(=O)C2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 586860890 STZUVIVZLMBZQC-UHFFFAOYSA-N 436.487 2.177 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)CC1 604196459 GJHXCJWTAOLZST-UHFFFAOYSA-N 429.565 2.169 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)cc1 608957885 VOFUTGPYULVXHU-GOSISDBHSA-N 429.523 2.013 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCCS(=O)(=O)Cc3ccccc3)cc2C1=O 613679088 XYFHGAOAGSORLV-UHFFFAOYSA-N 426.494 2.204 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c1 614904081 NHUBYMXYWDHHTH-SFHVURJKSA-N 426.538 2.216 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)[C@H]1CCN(C2CC2)C1 685535146 JCZFEFNHTQFXTD-QFIPXVFZSA-N 449.603 2.095 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C#N)c(Cl)c1 733200485 DMMKPMFVLSXEEW-QGZVFWFLSA-N 431.949 2.234 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 734294422 OCUCQZHIRBFJCC-UHFFFAOYSA-N 430.511 2.150 30 10 IEEE C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 734601013 LKCBHZCCSVALBU-OAHLLOKOSA-N 442.497 2.312 30 10 IEEE COc1cc(Br)c(S(=O)(=O)N(C)C(=O)c2ccc(C#N)nc2)cc1OC 734706775 VVAYWZONSXXRRR-UHFFFAOYSA-N 440.275 2.194 30 10 IEEE COc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC2CCCC2)c1 747951721 GAKYRCGDRKMTRI-MRCUWXFGSA-N 428.489 2.342 30 10 IEEE C=CCn1c(-c2ccccc2F)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 751936187 GBZHKQYNRYUTIN-UHFFFAOYSA-N 425.555 2.331 30 10 IEEE Cc1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)o1 755601993 BZSNBCDSMKVRMZ-KRWDZBQOSA-N 430.486 2.427 30 10 IEEE C#CCN(CC(=O)O)C(=O)c1n[nH]c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1 757253204 AIGJHRPOQDVBKN-UHFFFAOYSA-N 445.435 2.326 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1 757580579 VBDBDUGARANBPY-ULQDDVLXSA-N 430.530 2.077 30 10 IEEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758775448 WYXXWRDONHJWKZ-WCQYABFASA-N 430.431 2.339 30 10 IEEE CCc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786682345 GYHKKHFCOKREJV-SFHVURJKSA-N 449.598 2.284 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCS(=O)(=O)C1 788906953 QZBDBKRNSIGNMG-GJZGRUSLSA-N 430.357 2.404 30 10 IEEE N#CCCCS(=O)(=O)NC(=O)c1cccn1-c1cccc(I)c1 789468847 ICRGNAWBVHJXNN-UHFFFAOYSA-N 443.266 2.445 30 10 IEEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCO[C@@H]3c3cnn(Cc4ccccc4)c3)nc12 798810466 HCJGIKMASQKXGH-PZJWPPBQSA-N 444.451 2.372 30 10 IEEE C#CCN1CCC[C@@H]1COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 810573333 PYLNTUKWFCDOBI-ATSGTUNTSA-N 444.531 2.107 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)NC3CCN(CC#N)CC3)CC2)CC1 812885354 PEBDZVJHMOHADF-UHFFFAOYSA-N 448.612 2.137 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)c1ccc(F)cc1 813101393 ZFTADEGNRMJDJN-LJQANCHMSA-N 432.473 2.087 30 10 IEEE C=CC[C@@]1(C(=O)NCC(=O)NCCN2CCCCCC2)CCCN1C(=O)OC(C)(C)C 817156852 ATJASUJKDCKWNS-QHCPKHFHSA-N 436.597 2.441 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1)Nc1ccccc1[N+](=O)[O-] 1084590622 MQVWRHOFVQKLRX-UHFFFAOYSA-N 429.418 2.301 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1124383531 JVFFPZQFNXTZRT-UHFFFAOYSA-N 428.510 2.244 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cs1)C(N)=O 1135982901 NYRNTQWGUBNXPF-WMLDXEAASA-N 429.571 2.061 30 10 IEEE CN1CCCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 1136303957 NDWXJKZQQXJSMI-YBAYSFDISA-N 434.562 2.477 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 1152128745 OOYAHHKBZSSNQC-UHFFFAOYSA-N 425.441 2.485 30 10 IEEE Cc1ccc(C(=O)N2CC(O)(c3cccc4ccccc34)C2)cc1S(=O)(=O)NCC#N 1164028304 XHQGXADFJDVTDW-UHFFFAOYSA-N 435.505 2.294 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)cc1 1180357732 ZZBASHSFOKUZLV-RYQLBKOJSA-N 447.557 2.116 30 10 IEEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CCCC1 1196149988 LOFGARQIKQGJOO-UHFFFAOYSA-N 433.574 2.201 30 10 IEEE C#CCOc1ccc(NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1200402226 CKPIYWPCVZPQQD-UHFFFAOYSA-N 432.458 2.049 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1213222837 JCJCLMHSXRTGGE-QZTJIDSGSA-N 442.603 2.014 30 10 IEEE C#C[C@H](NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C1CCOCC1 1221901751 WAKSTIQNEQWWSU-IBGZPJMESA-N 429.517 2.036 30 10 IEEE CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1248375753 OADDGXMEEVQHTI-OAQYLSRUSA-N 441.576 2.192 30 10 IEEE COc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 1265616448 FFRFECXXAAJLAD-KBPBESRZSA-N 431.518 2.219 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 1286340937 AMSMVTASWHCBBQ-DLBZAZTESA-N 431.562 2.304 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286356607 RZQOVXRYAWVKLW-UHFFFAOYSA-N 445.589 2.345 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCS1(=O)=O 1286365989 PSDJZYFVAJDTCP-UHFFFAOYSA-N 433.603 2.380 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@](=O)CC)C1 1286809148 GRCLTXNTCSWKKG-NIZSNIITSA-N 432.546 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCC2(CCOCC2)C1 1286817994 AIZVSGORIALORZ-UHFFFAOYSA-N 433.578 2.281 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1286961172 LREAHDCPUFDBGZ-SNVBAGLBSA-N 444.284 2.023 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1287044001 FNZKIOINESOFIJ-DLBZAZTESA-N 438.488 2.236 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 1294007483 FURJIDHZNMSWRV-CVEARBPZSA-N 438.550 2.105 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1294648068 MGWUBOHCIUHXGN-IBGZPJMESA-N 444.605 2.420 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N3CCCC3)CCOCC2)CCOC1 1296525792 FIIYEUPTOPQZBL-WMZHIEFXSA-N 446.596 2.171 30 10 IEEE COC[C@@]1(C(=O)N2CCC(C#N)(c3ccccn3)CC2)CN(C(=O)OC(C)(C)C)CCO1 1296993720 BYRFENHAJRSZNF-HSZRJFAPSA-N 444.532 2.118 30 10 IEEE Cc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cc1S(=O)(=O)NCC#N 1298503445 QFYXYORUOVVXRE-UHFFFAOYSA-N 435.509 2.386 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1300291654 UPSGMESCQVULGD-DLTPIXJPSA-N 441.495 2.478 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300502193 RJFKOPMYTXVBBB-INIZCTEOSA-N 433.603 2.119 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1300555643 GPQOGSPKEHUXNF-HSZRJFAPSA-N 442.539 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CC1(C(N)=O)CCOCC1 1300571627 HWQFWTWYPYOJDM-UHFFFAOYSA-N 425.920 2.344 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)c1ccccc1 1300579735 YYZSDPFHKYKJGV-KRWDZBQOSA-N 432.496 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1300718615 BPBRAYCCYIOYAA-GOSISDBHSA-N 445.571 2.265 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300843760 FMNBOYCWFNSJSO-ZDUSSCGKSA-N 429.326 2.441 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2)CC1 1300881703 ATCFPHVSOKKJFF-IBGZPJMESA-N 440.573 2.397 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1300991864 WRZHRLIVMVQCBH-DYESRHJHSA-N 440.610 2.414 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNS(=O)(=O)CC)CC1 1301112651 YLHONOOPJXPBFQ-UHFFFAOYSA-N 434.522 2.195 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1301500257 KNEOSEWXCNZBPG-QGZVFWFLSA-N 428.493 2.061 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)CC1COC(C)(C)OC1 1301514041 DMDINKQTCIPJHB-UHFFFAOYSA-N 447.511 2.134 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301606391 PFNKFKOGIHLBLN-QGZVFWFLSA-N 442.593 2.237 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1301612976 SKPMXGBUQYQSPO-MSOLQXFVSA-N 440.635 2.352 30 10 IEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1302211628 RAQBWLGOODQUBY-HKUYNNGSSA-N 438.532 2.401 30 10 IEEE C=CCOc1c(Br)cc(CNCc2nnc3c(=O)[nH]ccn23)cc1OCC 1308523559 AXEVDBUNLNSUQK-UHFFFAOYSA-N 434.294 2.433 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1)C1CSC1 1310987847 PABNQRBZVKPRQY-UHFFFAOYSA-N 437.363 2.310 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CCn1cncn1 1314740924 GHVDNWHIEUEYTI-UHFFFAOYSA-N 447.528 2.069 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCOCC1 1316176183 PZCSMMNMFIUELZ-SFHVURJKSA-N 434.585 2.243 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1316227858 FHKAIULJJRPJMU-FUHWJXTLSA-N 426.521 2.207 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359059137 BMKISPOAXXWOOT-UHFFFAOYSA-N 444.649 2.122 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1359072581 JMTRXYYISFOFES-YLJYHZDGSA-N 448.618 2.050 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2OC)C1 1359319150 TYGAPIRWJLYVFS-INIZCTEOSA-N 425.537 2.418 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1359511398 QAKCCTXTKAYZQH-VERSXKQTSA-N 428.537 2.250 30 10 IEEE C[C@@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1447653877 UBQFBHWIQZEAHC-BEFAXECRSA-N 447.557 2.428 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)ccc1C 1460616780 HCCJHXJDTBUMQJ-UHFFFAOYSA-N 442.541 2.009 30 10 IEEE C=CCc1cc(CNS(=O)(=O)c2cn(C)nc2Br)cc(OC)c1OC 1462940647 AVRWDQLBJCWLGU-UHFFFAOYSA-N 430.324 2.407 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2nc3n(c2C#N)CCOC3)CC1 1463333178 FLCPBNSLUPGAEO-UHFFFAOYSA-N 443.891 2.438 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C(C)(C)c3ccccc3)cs2)CC1 1467150974 TTYSSGUNYIJZLH-UHFFFAOYSA-N 447.586 2.086 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@H]2C)cs1 1492674205 NDOUGJTZPPEVQE-MRXNPFEDSA-N 429.594 2.485 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCCN1CC 1503103183 GTZWBYQCOZTVBI-HXUWFJFHSA-N 438.580 2.282 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1507628874 IUOQAKTWVQANFM-DLBZAZTESA-N 433.603 2.054 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507629831 WULCRAHLBDRZIP-SFHVURJKSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCN(CC)CC1 1507646379 TVNOKYPHMHQDQC-HXUWFJFHSA-N 448.571 2.020 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN1CCc2sccc2C1 1507711728 YKSKFXCMJWOVHW-LJQANCHMSA-N 429.590 2.378 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCOCC2)CC1 1507719740 BCDXYUJJHSATPO-UHFFFAOYSA-N 425.533 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(C)C(C)C)CC1 1507739249 OJQDESKWPRRILU-HXUWFJFHSA-N 430.597 2.216 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507805612 KCLIBXQWQMCRDS-XLIONFOSSA-N 437.610 2.072 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507884961 ONDUFPWYUVQPJI-CVEARBPZSA-N 447.527 2.221 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(CC)CC 1507978575 PBUOXCWZYRXSAM-UHFFFAOYSA-N 437.548 2.463 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCS1(=O)=O 1508041907 QOIOHBYOSCNBRW-QGZVFWFLSA-N 439.607 2.240 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1508072959 IFRWYQFSGVIPJT-HNNXBMFYSA-N 440.577 2.425 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1508076566 GTCIEEIXFXNNIV-MRXNPFEDSA-N 425.493 2.299 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccs1)N1CCOCC1 1509224400 AQDIKSMCLXUDEO-QZTJIDSGSA-N 430.578 2.340 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1515399634 PMEATCJUIIYVJF-MRXNPFEDSA-N 439.488 2.459 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C 1515903750 FFKHVHYDPDWBPN-PXNSSMCTSA-N 442.589 2.314 30 10 IEEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1517145637 DLFICCSFUYOOHR-UHFFFAOYSA-N 426.502 2.082 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCOC2)cc(OC)c1OC 1517973834 JQYTZWBLMVNXLL-RDJZCZTQSA-N 443.504 2.126 30 10 IEEE C=CCN(C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1)[C@@H](Cc1ccccc1)C(=O)OCC 1522959928 RAGOXYWWYSJGOV-VQTJNVASSA-N 430.545 2.449 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C2CC2)N(C)C)c1 1539043392 PVYMPYVXNAIFHT-TZIWHRDSSA-N 436.560 2.178 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1539219655 LUGIHNBLRFNSSM-KRWDZBQOSA-N 425.514 2.171 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(F)F)cc1 1539239817 RIQBCEIYDQMRBJ-OAHLLOKOSA-N 435.500 2.121 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1539462496 VQBVWPONMPYXLL-UHFFFAOYSA-N 438.576 2.100 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1539646254 SNDPZUGBKJEDAH-OPYAIIAOSA-N 425.533 2.458 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539968153 XDGVQCLQFXCZED-ROUUACIJSA-N 437.610 2.422 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 1540582674 UYOMWASMWLWGQS-UHFFFAOYSA-N 436.472 2.322 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)COC)CC1 1540880836 RISQOXYPQNEKOJ-UHFFFAOYSA-N 427.549 2.385 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)N(C)C)C1 1540881290 DUJKOKKLNNITQH-ROUUACIJSA-N 428.537 2.191 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540918543 TVGNRVHXGHNOQH-KRWDZBQOSA-N 427.534 2.452 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1541264427 ROOVHXLIGNBZRG-UHFFFAOYSA-N 440.548 2.196 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnc3n2CCOC3)CC1 1543137398 KGXPKKWFPLFHDD-INIZCTEOSA-N 430.306 2.198 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 1556655544 HBKRVPUUAIBVAN-GDLZYMKVSA-N 435.571 2.469 30 10 IEEE C#C[C@](C)(CC)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1556664464 PAIAGGNIEVESID-QGZVFWFLSA-N 429.336 2.002 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1557597229 ZPWMAYPEDRJANH-UHFFFAOYSA-N 434.496 2.447 30 10 IEEE C=CCCOCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1564480663 CWAPQIMJWCOSGH-GOSISDBHSA-N 440.585 2.469 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)s1 1570609723 OSGWVKGFUVJZNI-UHFFFAOYSA-N 426.520 2.072 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1588262095 CGERRAHLVNFICZ-OAQYLSRUSA-N 438.576 2.167 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1593696288 MZCCRQQVKNEAJW-KRWDZBQOSA-N 441.598 2.021 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2COC)CC1 1594192138 DVNRPBVMAMOOOC-INIZCTEOSA-N 433.578 2.485 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1594582202 NOFCWEGBBAYOLH-NRFANRHFSA-N 431.562 2.407 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N2CCCCC2)CCOC1 1610339697 ZMQAEHCQHNZKQH-GCJKJVERSA-N 432.569 2.460 30 10 IEEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)c2)no1 1611674706 OZLSNPBZXMLTPE-UHFFFAOYSA-N 431.470 2.262 30 10 IEEE CCN(C)Cc1cccc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1615184194 HBRYMJYXWBERLU-UHFFFAOYSA-N 447.591 2.327 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1617313279 GXQCPXAOSGLXBH-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1618436085 IBFPEVNFEOKFDG-QFIPXVFZSA-N 437.479 2.251 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c1 1625605216 JAGQGMQUVOJWMQ-OAHLLOKOSA-N 439.493 2.489 30 10 IEEE C[C@]1(c2cccc(CNC(=O)Cc3ccc(Br)cc3C#N)c2)NC(=O)NC1=O 1626461864 KQQGLBFZPGJGKK-HXUWFJFHSA-N 441.285 2.234 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 1629028076 PVNPMPQUAVVTEB-ZIAGYGMSSA-N 428.411 2.056 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1634460852 PXBUDVXHRXJFDN-JCYILVPMSA-N 438.488 2.461 30 10 IEEE COC[C@@](C)(C#N)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1635673267 MNBNYKQEFUEYHW-HSZRJFAPSA-N 435.480 2.027 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CC(N)=O)c2ccccc2)C1 1637628023 OVBQXJMUKKLFJK-KRWDZBQOSA-N 427.302 2.490 30 10 IEEE COc1ccc(CNC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1C#N 1637998564 ZNNRDOKPLSXCAT-NVXWUHKLSA-N 431.436 2.218 30 10 IEEE C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1642061684 YQSCSOONPOXNHN-UZUQRXQVSA-N 447.580 2.500 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(F)c(F)c2)c2nccn2C)c1 1648484137 ZCFPVZLCNXBEKS-LJQANCHMSA-N 444.463 2.129 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCC)[C@H]3CCN(C)C3)nnc12 1648859703 MIXZJZAAWBXVMW-INIZCTEOSA-N 440.573 2.265 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cc(CO)nn1 1649541807 IKYJKXIUHKHYEJ-UHFFFAOYSA-N 449.519 2.170 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 1651453634 DVXDPSDFGQCJGE-SZMVWBNQSA-N 447.557 2.116 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1 1651801696 GJYKEJTWODTNST-QGZVFWFLSA-N 436.472 2.208 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC(n3nnc(C(=O)OCC)c3C(F)F)CC2)cc1 1656345132 UZDSBANSYFXFGF-UHFFFAOYSA-N 438.456 2.400 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1cccc2c1OC(F)(F)O2 1687099819 XAJBOFDDQOGMBY-ZDUSSCGKSA-N 430.415 2.133 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1OC)N1CCCC1 1689943704 ZZSCMZUMGBKXHW-HXUWFJFHSA-N 436.560 2.429 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689994334 WLYZKFRNVGVAAK-QGZVFWFLSA-N 432.521 2.053 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1C 1690047678 WVNSTKCCGNDSSY-UHFFFAOYSA-N 443.559 2.005 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(OC)nc1 1690104009 KGTQLJHGOLBPAO-HXUWFJFHSA-N 435.484 2.329 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690180682 JEYDCLHYIQLWEN-HXUWFJFHSA-N 444.649 2.120 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCOC[C@@H]2C1 1690183210 PTTUUGRYFCSSKP-FQEVSTJZSA-N 441.601 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](COC(C)C)C1 1690244094 SWWWGMKCXTUBMT-BJLQDIEVSA-N 428.537 2.347 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690394974 SWMRFCXEXPJSNU-INIZCTEOSA-N 444.502 2.082 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1 1690622548 RUSPZFKJGSUTIF-IDYZSHNDSA-N 440.610 2.414 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC(F)(F)CO2)C1 1690714960 ZIGRBSMWMQZATE-YVSFHVDLSA-N 428.480 2.208 30 10 IEEE CC(C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1692390107 SQDCLTPWWFVESF-GOSISDBHSA-N 447.561 2.140 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1692660750 FMDXLGYYHZMCPZ-FUHWJXTLSA-N 428.512 2.408 30 10 IEEE C[C@@H]1CCCN1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1693691688 LSAUXVWGLHJRSY-ZBFHGGJFSA-N 448.369 2.259 30 10 IEEE C[C@H]1COCCN1CCn1c(COc2ccccc2F)nnc1N1CCC(C#N)CC1 1693857276 GHQYLJWKTJADFE-KRWDZBQOSA-N 428.512 2.457 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)=O)CC2)CCC1 1695922544 FRBZIXHJTCRLEM-UHFFFAOYSA-N 449.559 2.228 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1698295182 HMOKNWXWXBCMHT-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nnn(C)n1 1705482743 GEYNHWIEHMYHEJ-JTQLQIEISA-N 435.717 2.391 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705567733 YQPSXGGEUCSXKN-AEFFLSMTSA-N 434.949 2.110 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CC(OCC)C1 1705572982 VSWANWDUDHURBJ-UHFFFAOYSA-N 435.528 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC(=O)NCC(F)(F)F 1705602220 MOXILNIDGUTALY-UHFFFAOYSA-N 437.397 2.138 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1705630104 GXJJDFIHWVIUFE-WOJBJXKFSA-N 444.624 2.243 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](CC)C1 1705700777 YIRNSRUAWWQNAS-XDNAFOTISA-N 440.635 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705934087 ATGBFMQMQIGBQE-RTBURBONSA-N 431.562 2.397 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1706701925 FSTXPGICXJUKGG-QHCPKHFHSA-N 438.532 2.403 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C#N)o2)CC1 1708631106 FQRKAQCRWDRQLA-SJORKVTESA-N 427.553 2.341 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)[C@H]1CC 1709009433 HYMUBZXWTRKXFP-OAQYLSRUSA-N 446.559 2.438 30 10 IEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1711221531 AIKQNNNCJPBDHI-OAQYLSRUSA-N 438.532 2.190 30 10 IEEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@](C)(C#N)C1 1712171661 NMHNKGJYXMRPEF-QRWLVFNGSA-N 449.556 2.353 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722275608 AKXLANIHPBBJRO-KSFYIVLOSA-N 433.553 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722375323 MMMSBXLKSGDBPG-RTBURBONSA-N 436.516 2.425 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C2CC2)CC1 1722580103 XNUNMUYNTILAAM-UHFFFAOYSA-N 428.562 2.198 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722605343 DOVXNSRKILPITQ-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1722631273 IYOKXRLWKZTKDZ-HNNXBMFYSA-N 449.577 2.260 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1722631274 IYOKXRLWKZTKDZ-OAHLLOKOSA-N 449.577 2.260 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1722664316 WIVMOXYZBLMJOA-IBGZPJMESA-N 444.605 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(OC)c1 1722728875 ZHLDYNRLNMKIBI-SFHVURJKSA-N 434.562 2.418 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1722739855 XVPLDUHOKNBBDV-QGZVFWFLSA-N 441.623 2.077 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722740418 VAAFVMOGEFNGPB-IRXDYDNUSA-N 443.573 2.500 30 10 IEEE CC(C)(C)N1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722966934 KLNYCMAHKYTSSY-XUTLUUPISA-N 441.580 2.383 30 10 IEEE CC(C)(C)NC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1722974850 KTHVMVZYMKCPLO-MRXNPFEDSA-N 441.536 2.315 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)C1 1724001788 BNFHNVOXJRKIFU-FOIQADDNSA-N 429.912 2.487 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H]1C 1728544413 LNKCKTZPTSEHCU-CVEARBPZSA-N 434.504 2.357 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1(C)C 1728927337 IRFMTSXRYUOEOX-BMGDILEWSA-N 447.561 2.333 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)C1CC1 1730750021 GZLXZEYTZDFEHX-HSZRJFAPSA-N 435.532 2.364 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1CCO[C@@H](C)C1 1730871203 UOLNFATVLSOLHE-QEUVDIPISA-N 446.596 2.384 30 10 IEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCN2CCCO)CCO1 1731186622 FKAVYIUUDKMCGK-VXKWHMMOSA-N 438.576 2.029 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccc(N2CCOCC2)n1 1740604191 UGDCXCBFECDCLZ-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1740699877 WZKSNYZMZFDHPW-ICSRJNTNSA-N 427.524 2.303 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1 1740751024 XCTMONMXXUFPNI-SFTDATJTSA-N 439.560 2.494 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 1740796690 CQNLGWIEKRXJQZ-AEFFLSMTSA-N 433.578 2.463 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740809354 GAPQJDZPSMRUIL-INIZCTEOSA-N 431.928 2.093 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740882748 WNMIEHMIVFZXPY-INIZCTEOSA-N 431.928 2.142 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740965124 DGZIVQWNEWEODA-MOPGFXCFSA-N 427.505 2.018 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1741126357 REGHJIFWPQWZGL-UONOGXRCSA-N 447.540 2.347 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818228 XTWZZDBCPSFVDP-RTWAWAEBSA-N 441.601 2.132 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](CC)OC)CC1 1749017050 UISYKNZZRHPDBZ-HXUWFJFHSA-N 439.560 2.268 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1749060260 MPXOPULJBJOAOC-LJQANCHMSA-N 437.953 2.047 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749232104 CNKKTEWRYDVFAE-RTBURBONSA-N 425.533 2.185 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749426480 CQZVKPZBCGHYKX-ZWKOTPCHSA-N 437.610 2.135 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1749597727 LTFVLFGMKKPFGL-NRFANRHFSA-N 448.593 2.082 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1749676485 RUZXULULXMLKEX-UHFFFAOYSA-N 426.540 2.375 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1749680149 FEDLIWTVWPIHPV-INIZCTEOSA-N 429.521 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C)[C@H](OC)C1 1749736313 IFNCTSAPQXNZFG-FXAWDEMLSA-N 448.589 2.340 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]2CCC[C@@H]21 1749741067 ODPRPJSOVSLLHD-XWSJACJDSA-N 438.594 2.372 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1749971653 LWTQPWLWBQEWDX-UZLBHIALSA-N 441.598 2.345 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1750060073 DCPNJISLRJJQTN-KFWWJZLASA-N 438.529 2.091 30 10 IEEE CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1750842073 MSHBLKFXXNYLAF-KRWDZBQOSA-N 433.516 2.470 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1751093785 XJDZLAGINJLSHZ-NEWSRXKRSA-N 443.577 2.283 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1760180110 XBCICFWTRUMRLQ-SBUREZEXSA-N 442.564 2.430 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCc2ccccc2C1 1760247863 SLMLVVDEQUCYSL-IBGZPJMESA-N 431.544 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)N2CCOCC2)C1 1760536504 HXQXMDRSJPAZRT-NHCUHLMSSA-N 439.560 2.460 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N(C)C)C1 1760538939 WVUMZOQOGJGLMA-AWEZNQCLSA-N 437.342 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCOCC1 1760557288 GZPKDAVUXFTIHS-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760569732 YUUCLHKDCCSACX-IBGZPJMESA-N 431.610 2.364 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1769443677 VWLIHTXGPHRPHF-DOTOQJQBSA-N 447.442 2.152 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCSC 1770203689 QYDUJUBMLPCFIB-KSSFIOAISA-N 444.561 2.290 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)C[C@@H]1O 1770627933 UVWBZIRVSMUZRN-SAJDGTNDSA-N 425.533 2.487 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1771030767 ZBSPXLSVBFQODS-LJQANCHMSA-N 447.561 2.169 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCn2ncc(C(=O)ON3C(=O)c4ccccc4C3=O)c2C1 1772794206 CRMMYAZSYPEBKP-GFCCVEGCSA-N 426.429 2.091 30 10 IEEE Cc1ccc(F)c(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1 1851330824 PEFXAEOMPYYJQD-CQSZACIVSA-N 443.504 2.315 30 10 IEEE C=CCN1C[C@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)CC1=O 1852044456 DTSWBZFDGGGFIO-GFCCVEGCSA-N 447.236 2.079 30 10 IEEE Cc1ccc([C@@H]2[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC(=O)N2C)cc1 1852634809 TWQQYAXEWXNDHY-QFBILLFUSA-N 439.541 2.342 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2=O)cc1C#N 1853910475 NVHMUQQDSVZLJG-UHFFFAOYSA-N 431.901 2.335 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)C[C@H]2CCOC2)c2ccccc21 1853961289 UGKJZBFKKVESFK-OAHLLOKOSA-N 425.466 2.053 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854637095 MARGCSALKWJLSN-OAHLLOKOSA-N 429.473 2.078 30 10 IEEE CC1(C)C(=O)N(C(=O)COc2cncc(Cl)n2)CCN1Cc1ccc(C#N)cc1F 1857412149 FLUQJSNCSDZWRU-UHFFFAOYSA-N 431.855 2.169 30 10 IEEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCC3(CC2)OCCO3)n2ccccc12 1858242829 IDOKEOUXSHDVNF-UHFFFAOYSA-N 431.452 2.437 30 10 IEEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870143933 IBPFWINWWVASPY-UHFFFAOYSA-N 443.467 2.220 30 10 IEEE N#Cc1nnn(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)CNC(=O)c1ccccc1 1870152531 XNJPHXXBACLZOZ-UHFFFAOYSA-N 430.346 2.406 30 10 IEEE COc1cccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)c1 1874237830 IIWRSQMRKOQPSP-FSJBWODESA-N 441.513 2.354 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CO1 2010514583 BCQWGBLOBOEUAW-SXLOBPIMSA-N 428.533 2.247 30 10 IEEE C[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2060636762 BFXLTIKTHGBLQW-HIFRSBDPSA-N 432.330 2.360 30 10 IEEE COC(=O)[C@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2124539385 VCLBIGIXVOIXKI-INIZCTEOSA-N 448.325 2.381 30 10 IEEE CN(CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OCc1ccccc1 2243384570 RWROMPRHTKONHL-UHFFFAOYSA-N 442.325 2.050 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2247832888 XBVCEBLBFHSPFJ-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248405241 PVBJRBIOWMGPJO-UHFFFAOYSA-N 441.334 2.018 30 10 IEEE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)c1 2255746444 YSBCWBJZTHHZNJ-UHFFFAOYSA-N 442.390 2.457 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808441 JSGWSGHHLQFTQW-COXVUDFISA-N 429.326 2.118 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255870815 OSCONVISHJHOIA-UHFFFAOYSA-N 433.314 2.005 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256623726 SEBMWNLMHZOVGU-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267108951 ZZXLWDUBVQYQDL-MRXNPFEDSA-N 446.353 2.352 30 10 IEEE Cc1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)oc1B1OC(C)(C)C(C)(C)O1 2267134806 UXLPBDPBWQYZFC-STQMWFEESA-N 442.243 2.265 30 10 IEEE Cc1c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267140254 PCBJZKSDFDCNRI-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@]2(C)CCN2C(=O)OC(C)(C)C)n1 2267187976 GGRUEKNRWBOUEZ-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267194100 NFNSEQJHJHEREN-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]c(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1 2267269150 CQGUSUZAAFKKKY-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE Cn1nc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)cc1B1OC(C)(C)C(C)(C)O1 2267549451 MLEAKUGRWNHWLM-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268609132 KDPLGJPMMKCZPC-HZPDHXFCSA-N 447.341 2.249 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)nc2)OC1(C)C 2282185955 NUCBHXMVWFPZOB-FCHUYYIVSA-N 449.360 2.106 30 10 IEEE C[C@H](C#CC(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2302418856 SIZJSFAYWUIMSC-MRXNPFEDSA-N 439.553 2.029 30 10 IEEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2302960975 SLUGSOXTEPJRNQ-VQTJNVASSA-N 449.617 2.180 30 10 IEEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](O)c1nc(Br)nn1CCOC 2353730280 QZISASPWSKYWKN-CVEARBPZSA-N 425.327 2.081 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2C1=O 14795383 TWNBOFZSLNNMFR-UHFFFAOYSA-N 427.482 2.280 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCCO2 72461365 WOAFWHNWQNXTPH-WMLDXEAASA-N 433.424 2.360 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 438182794 YCHCAVJFZXCGHI-UHFFFAOYSA-N 436.438 2.343 30 10 IEEE CSc1nc(C2CC2)cc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1C#N 477913503 WPGIVDNWSDSJPG-UHFFFAOYSA-N 427.574 2.227 30 10 IEEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 485578203 CMGSDFZJCHOQGR-OLZOCXBDSA-N 429.502 2.183 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 506865652 NVCVWPZTBPXHFN-ZWKOTPCHSA-N 448.520 2.214 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)n1 512854409 AUNWVADKHKFJEH-UHFFFAOYSA-N 436.422 2.309 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 517654935 DGYPIDUTVLAREI-UHFFFAOYSA-N 431.500 2.442 30 10 IEEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 532709709 WWMCNXCIGHRXCV-UHFFFAOYSA-N 445.610 2.262 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@H]1CCOC1 532756156 RDDQMSZYYNYVEJ-GFCCVEGCSA-N 448.466 2.236 30 10 IEEE COCCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 540693344 APXHSDJEEZGRBV-UHFFFAOYSA-N 439.516 2.426 30 10 IEEE CC[C@@H](C)[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 544832451 GBUCRFRNYLFUQG-IERDGZPVSA-N 431.496 2.313 30 10 IEEE N#CC1(CS(=O)(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)O)CC1 548521476 AXJKEHMUBYCPBC-CQSZACIVSA-N 426.292 2.149 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 555238122 DGSLNZYVQSMBFU-HKBOAZHASA-N 425.533 2.441 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccccc1 558741164 PQHXWJOGFFKFQH-INIZCTEOSA-N 433.533 2.480 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC(F)F)C1 572388100 KRABJXAUAIZXHM-AWEZNQCLSA-N 427.477 2.199 30 10 IEEE C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 587404615 DFURLVDOJATCED-DYVFJYSZSA-N 445.463 2.137 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 604172045 OSQSYKYJWQWLMZ-OYRHEFFESA-N 441.620 2.294 30 10 IEEE C=CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)Cc1cccc([N+](=O)[O-])c1 604488016 BRGMNQYVRIDAAR-OAHLLOKOSA-N 444.513 2.208 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732647462 FSOOVFZWCPXZIO-GOSISDBHSA-N 430.936 2.400 30 10 IEEE C[C@@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)N(C)CC(=O)NC1CC1 734593843 YHBVVQOPLMYTDI-MRXNPFEDSA-N 435.480 2.420 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(CC)s3)CC2)c1 737935281 XCQXSCYRPGDCSU-UHFFFAOYSA-N 431.583 2.180 30 10 IEEE COc1ccc(CNC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1C#N 747070236 KHGLGQYXMHHXBK-BZSNNMDCSA-N 429.542 2.480 30 10 IEEE CO[C@H](C)c1noc(CN(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 747933918 VBBYKGRSCDNNMX-CQSZACIVSA-N 449.533 2.035 30 10 IEEE CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753044849 ICJGQAOUIAAFOB-ZBFHGGJFSA-N 437.562 2.378 30 10 IEEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnc(-c3ccncc3)s2)cc1 753140490 BUBGBQVWZCSJPK-ZZXKWVIFSA-N 429.479 2.464 30 10 IEEE COC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2cnc(-c3ccccn3)s2)NC(=S)N1 753387272 IPTJFIMJFJBHGT-HNNXBMFYSA-N 437.506 2.429 30 10 IEEE CN1C(=O)C[C@H](NC(=O)NCCNc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 754872465 CVTQWDPKWYVYRL-WMZOPIPTSA-N 430.871 2.429 30 10 IEEE COc1ccc(/C=C(/C)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1F 755049810 NUAKRKLIMOLRNC-UVTDQMKNSA-N 442.447 2.298 30 10 IEEE COC(=O)c1ccc(NN=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)c(OC)c1 756897544 CKOWACNEJKEERC-ZDUSSCGKSA-N 440.909 2.446 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 763567329 HIMZQFUANCYFOY-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H](C)n1c(C)cc(O)cc1=O 764013793 DHPUMFISTFVNAC-HOTGVXAUSA-N 427.457 2.311 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 765953284 DNCGUBPYPYGTNU-UWKZONESSA-N 449.577 2.445 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn(C)c2)c1=O 772284076 QAHGWLUNOWIHON-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 781395481 YAMYOXDVYGVLOY-CABCVRRESA-N 441.509 2.046 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC[C@H]2CCOC2)C1=O 784128156 MYNXRVBZRPZDCB-YJBOKZPZSA-N 436.553 2.252 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)nnn1CCOc1ccc(F)cc1 800406114 VLPUSKDVAYMFPO-UHFFFAOYSA-N 449.508 2.338 30 10 IEEE COC(=O)N1CCC[C@H]([C@@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)C1 805066911 DACIBZFYUSOGOZ-NEPJUHHUSA-N 430.324 2.466 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 808465315 XAXSVUUAFZWVSX-QHCPKHFHSA-N 438.459 2.140 30 10 IEEE COc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 916711963 VIEZLPRKKMANKU-XFBWPPDYSA-N 446.529 2.363 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cn1 1084454746 DVVKRDBKWSOWAB-UHFFFAOYSA-N 435.464 2.224 30 10 IEEE COC(=O)[C@H]1CCCN(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)C1=O 1127667788 GYDQYLMTUNFAEL-LEWJYISDSA-N 435.480 2.358 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1137280386 QDHWNAMIPKFIJM-KFGODFMUSA-N 431.533 2.159 30 10 IEEE COC(=O)[C@H](CC(F)(F)F)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1138083252 LXZMQQAAWINAOI-DVAPBTGTSA-N 433.427 2.383 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 1142710809 QGSYFXFQVDICBG-NHFXJNLRSA-N 425.876 2.454 30 10 IEEE C=CCn1c(SCC(=O)N2CCC[C@@H](CO)[C@H]2CO)nnc1-c1ccc(Cl)cc1 1156263479 RCYLUQJEZZPJBC-DOTOQJQBSA-N 436.965 2.468 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1161816559 LFDFAFPWIVXBTC-IBGZPJMESA-N 438.613 2.149 30 10 IEEE CCc1ccc(C#CC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1177462450 PUEOAVVITNLHTN-LJQANCHMSA-N 434.558 2.141 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1 1198251876 QXOHLWIQBSPZDH-HNNXBMFYSA-N 449.554 2.186 30 10 IEEE Cn1cc(Br)c(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1234023505 JIXLGIXQGXVGAS-HNNXBMFYSA-N 431.294 2.049 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1235722738 AAQJOICBCWCIBO-HUUCEWRRSA-N 438.491 2.096 30 10 IEEE CCOC(=O)c1csc(N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)n1 1254489437 SMNCSCCHDHQHTI-KRWDZBQOSA-N 425.514 2.190 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1286340273 WTWKZOOWMCFJKJ-UHFFFAOYSA-N 441.532 2.443 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)C(C)C 1286377672 BTLAUTIUEYOFBV-UHFFFAOYSA-N 434.338 2.461 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(C)CN(C)C1=O 1286401387 LPKZRVMSZMAJHT-HXUWFJFHSA-N 426.318 2.259 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1286408076 AWZDFWQURZWUEF-UHFFFAOYSA-N 440.511 2.091 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)OC)c1 1286415041 ISALPKYURNTFFJ-UHFFFAOYSA-N 434.500 2.204 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286477279 VPCIWRVVDZOOCI-UHFFFAOYSA-N 439.564 2.428 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2CCO[C@H](C)C2)CC1 1286484122 DZYOSHYHUMZGHV-RTWAWAEBSA-N 425.581 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(C=C)cc2)CC1 1286485241 GMLSWXNLBFGDBJ-UHFFFAOYSA-N 448.571 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc([C@H](C)O)cc2)CC1 1286490390 SSPNPBUPQFGLJF-SFHVURJKSA-N 444.539 2.408 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(C)(=O)=O)C1 1286812378 ORGIXIOSRRVYSR-QGZVFWFLSA-N 429.546 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286816125 FSFZGKAOSBOUKR-UHFFFAOYSA-N 445.589 2.241 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286821576 PNRQSWURBVFQCA-IBGZPJMESA-N 445.589 2.118 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286932863 LDDUZFGTUZALFD-HXUWFJFHSA-N 449.559 2.084 30 10 IEEE CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1286951818 DXPZWEUVGGNRFV-JOCHJYFZSA-N 445.527 2.240 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)Oc1ccccc1 1288601579 DZCZXJZPTPTIDJ-WWMYMODYSA-N 446.577 2.486 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1289453432 ARSXEJKCZNQPGG-VGOFRKELSA-N 444.486 2.492 30 10 IEEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1291051178 AXANJBIDRPOXOP-SJORKVTESA-N 446.577 2.245 30 10 IEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C1CC1 1295833674 AXGCEPZXSRXOED-INIZCTEOSA-N 430.578 2.170 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(-c3nc[nH]n3)cc2)CCOC1 1296525179 ARFUHHREHVXWAA-KSFYIVLOSA-N 436.520 2.359 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(OC)C1CC1 1297288169 RDYODYZTMCFMIN-QFIPXVFZSA-N 425.537 2.223 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1297760270 OTOVANJZCCWTLP-SFHVURJKSA-N 446.577 2.009 30 10 IEEE CN1C[C@](C)(Cn2c(N3CCN(c4ccc(C#N)cc4F)CC3)nnc2C(C)(C)C)C1=O 1298877175 LXUQYFQHEHQRHM-HSZRJFAPSA-N 439.539 2.391 30 10 IEEE CO[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1299568954 AWOQTAHDYUCLHT-RBUKOAKNSA-N 446.559 2.475 30 10 IEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1299633801 FJSUMYDZRDOQQH-BLIXFSHQSA-N 446.577 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1300319314 AWCOXHOVPOFPNM-MRXNPFEDSA-N 431.924 2.217 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300468512 BUORNNDOCJGKLR-GOSISDBHSA-N 437.466 2.210 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCOCC 1300538784 VIOUCCRRJANGPP-IBGZPJMESA-N 445.564 2.476 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)no1 1300575127 RQWUAXPJSRKFDP-UHFFFAOYSA-N 437.529 2.046 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1300620562 CDUKVWWEZSBVKO-INIZCTEOSA-N 427.505 2.153 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOc2ccccc2)CC1 1300685041 DVWWPKYNUTVLFO-XMMPIXPASA-N 439.560 2.155 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1300778127 NDVJUAZJICDDKN-PBHICJAKSA-N 434.484 2.064 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CC2)C1 1301539575 TZQCGFQMUCFFFK-MJGOQNOKSA-N 445.589 2.401 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCNc2ccccn2)cc1 1302990079 YJZXACPZAVTEQH-IBGZPJMESA-N 430.516 2.416 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]([C@@]4(C)COC(=O)N4)C3)ccc2c1=O 1303765046 IQVUOYIGGFAFJK-SPLOXXLWSA-N 428.514 2.222 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCOC(C)C)n1 1304759321 HYWVMBLCPDBRHJ-UHFFFAOYSA-N 449.563 2.158 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1306746066 WZJPIIQDUHOCQR-UHFFFAOYSA-N 437.548 2.086 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1311722220 OSGWXSDGDRPAMR-ROUUACIJSA-N 443.544 2.423 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1314708122 IOIGSGVGIWXYHR-HSZRJFAPSA-N 440.548 2.241 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)n1 1326745158 OYNCNKCMHHOVGE-UHFFFAOYSA-N 433.468 2.158 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1352569516 WANKKQCINIWIAR-UHFFFAOYSA-N 425.485 2.350 30 10 IEEE CCCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1354943303 PHKINQMNEKGCFN-DYTRJAOYSA-N 443.591 2.433 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1358919078 QUIYHYHSEDFZJL-QGZVFWFLSA-N 437.548 2.470 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1358932219 CITWLURHVPUNEZ-UHFFFAOYSA-N 439.564 2.481 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@H](C)C1 1358949623 IZWCVSVEBMPBHV-LVCYWYKZSA-N 425.533 2.359 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CC)C1 1359002450 ZRGIWEDOSPBEBC-SFHVURJKSA-N 443.621 2.348 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1359140656 IJVHJLSGHOJGME-LMNJBCLMSA-N 425.533 2.382 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CCN(C)C)CC2)CC1 1359172120 LOLHLZOWVKUBHX-UHFFFAOYSA-N 443.640 2.190 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnnn1C 1359270193 FHZVXZYUJRNZBZ-UHFFFAOYSA-N 445.531 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359328935 SMTOGDXYAJTPKQ-XUVXKRRUSA-N 441.557 2.136 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1440815487 DQBQFEZKFOPZJY-UHFFFAOYSA-N 427.354 2.268 30 10 IEEE C[C@@H](CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)N(C)C(=O)OC(C)(C)C 1443769530 MVBFMVUNDRSIPL-ZDUSSCGKSA-N 427.498 2.498 30 10 IEEE C=C(CN(C)C)C(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1443930710 FLUNTDWVQLSBQN-UHFFFAOYSA-N 441.389 2.282 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OCC)C2)s1 1448002342 DHOVZYUZEAFFHI-CABCVRRESA-N 443.591 2.128 30 10 IEEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1461396420 NGLKLEBEJVEIMV-ZTFGCOKTSA-N 440.500 2.484 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1=O 1461653181 SAMGDKVVHWQBKX-HSZRJFAPSA-N 432.480 2.147 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1463736191 UNABBRDKACOSBG-FEHORTKBSA-N 442.603 2.365 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1464930442 NHRFQXDVOXTHKN-HKUYNNGSSA-N 449.596 2.165 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3ccnc(C#N)c3)nn2)CC1 1467726283 DONNPTCOQIATNJ-KRWDZBQOSA-N 425.493 2.437 30 10 IEEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1470225727 MXJBCTNQNRYAML-QHCPKHFHSA-N 425.485 2.076 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 1470568645 LNTIRFASPOARFE-MJGOQNOKSA-N 438.981 2.161 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCOC[C@H]2CCCO2)CCOC1 1502668045 AEFRLPAZWOTISH-DENIHFKCSA-N 433.553 2.256 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507631582 FMZOXADJVKFODO-SFTDATJTSA-N 442.585 2.464 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccn(CC)c1=O 1507680635 KBWAXGZRAJCOBI-UHFFFAOYSA-N 439.541 2.038 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507688934 CXWYDOVRISGXLW-QYZOEREBSA-N 435.594 2.183 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1507746469 BMAQSQAYEMGZID-KRWDZBQOSA-N 443.573 2.291 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1507964505 AYHPHBWILZINEW-INIZCTEOSA-N 444.502 2.066 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1508140324 HYPQLKPZSLASDY-HKUYNNGSSA-N 448.593 2.238 30 10 IEEE CC(C)(C)OC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1508685654 UYXDVNHJXKSNLO-OAHLLOKOSA-N 447.561 2.477 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCCCO1 1517072761 AFGOGEVDEYJLRD-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE COCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1518682500 FZCQUQJTGUEWEH-LJQANCHMSA-N 439.564 2.438 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4c(CC#N)cccc4C3)C2=O)cc1 1534232343 SGDBAJQSQWGJLV-XMMPIXPASA-N 432.480 2.113 30 10 IEEE CCOC(=O)c1cn(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1536440812 KTLFEYCUQMXBIQ-UHFFFAOYSA-N 444.513 2.113 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 1536950145 AOXOFHXBWUNKSV-QAQDUYKDSA-N 445.541 2.077 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1539015674 VRTBQZMORVALJF-CVEARBPZSA-N 428.541 2.027 30 10 IEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539193354 AIXBRNLYIJMTQG-GOSISDBHSA-N 437.466 2.498 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539219942 GDYIYRZRQLAXNF-FQEVSTJZSA-N 433.622 2.438 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(CC(C)C)CCO1 1539378274 WFMTWSMIVUUCRR-SFHVURJKSA-N 444.605 2.086 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCCS(C)(=O)=O 1539390889 XQAOEIOSESWEDI-UHFFFAOYSA-N 429.521 2.497 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)cc2)CC1 1539484198 GUCLVZIIUZKHMJ-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(C)C)CC1 1539505988 GLFOTLXHNCWWFB-UHFFFAOYSA-N 441.557 2.345 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1539965992 CXLHNNAAFOFMBK-UEXGIBASSA-N 438.594 2.311 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1Cc1snnc1C 1540187363 ONVRUWKIVGISLB-UHFFFAOYSA-N 427.534 2.437 30 10 IEEE CCCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCS(=O)(=O)C1 1540708609 HJRWAIRHKKINGZ-GWWPLSDWSA-N 439.578 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1540864994 REJWRRRCZRZBHA-GDBMZVCRSA-N 426.546 2.162 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1540868268 YKYPZPQIXSRYGT-UHFFFAOYSA-N 447.543 2.115 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 1540891429 UIVHYQZUIJNARQ-UXHICEINSA-N 442.539 2.282 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C(N)=O)CCCC1 1541177350 CCOVYSTZMLHKNW-UHFFFAOYSA-N 437.548 2.447 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1541800773 HFZGXFSXAGCNBW-INIZCTEOSA-N 441.561 2.321 30 10 IEEE CN(C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1554124886 FNPWGQZXTZSEEY-UHFFFAOYSA-N 446.577 2.384 30 10 IEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1554245756 CVKVVAPPTXGAIA-HSZRJFAPSA-N 441.532 2.397 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N(C)C 1555054211 LZTHMUHXKUGNPA-GOSISDBHSA-N 446.559 2.497 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(F)(F)Br)CCO1 1555993223 KXJRIFVBHKZQTG-NSHDSACASA-N 442.220 2.390 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2c(F)cccc2Cl)s1 1566314775 PVALZRTZINTMSQ-AWEZNQCLSA-N 432.926 2.397 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)C(=O)OC 1568154449 JBYHBIXCTKTDHL-HZPDHXFCSA-N 428.432 2.391 30 10 IEEE Cc1ccc(C(=O)N(CCn2ccnc2)C2CCSCC2)cc1S(=O)(=O)NCC#N 1568918962 ZCDGIVHWIOJKJL-UHFFFAOYSA-N 447.586 2.031 30 10 IEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587831798 UYVQSHOFAXGICF-HXUWFJFHSA-N 441.532 2.106 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1587922231 WNNOEXHDNBEUQG-QHCPKHFHSA-N 444.532 2.462 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1588139081 LDYKQBOWGLCYNL-WZONZLPQSA-N 445.564 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1588228301 DFSPIUYWXFXTOR-DNQXCXABSA-N 447.583 2.250 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1588638735 WQQSXBYEXNILNM-UYAOXDASSA-N 427.553 2.008 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589484927 WENXFLQTFXNONA-SJLPKXTDSA-N 425.599 2.243 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 1594976285 UBSORLFSLLRBSH-UHFFFAOYSA-N 429.546 2.307 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)COCCO1 1595302994 JEMITAMCOVSUHA-KNQAVFIVSA-N 430.505 2.235 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1596126277 CZEAKAPAEVPYST-DYESRHJHSA-N 438.532 2.212 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 1597137413 CRRHJRUZKARYIY-OAQYLSRUSA-N 439.537 2.186 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1611414596 VPHYZTGZUYPSMF-KZNAEPCWSA-N 448.568 2.404 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1c(C)noc1C 1617312469 FTUPEHLVCXWAHG-UHFFFAOYSA-N 428.518 2.493 30 10 IEEE N#C[C@]12CN(C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1618171784 MFSXGKJOBOMNQJ-LAKQMRRBSA-N 435.590 2.029 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCC(C)C)CCO1 1618693634 LUKLHSMBUULKNY-GOSISDBHSA-N 428.562 2.157 30 10 IEEE CO[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1618966673 LTYKSCNKAHARGQ-XHSDSOJGSA-N 428.459 2.274 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC(=O)N1 1619911128 IOXKBKMSUDXLTM-CQSZACIVSA-N 447.337 2.353 30 10 IEEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 1620178447 GLZUUTCXAQDNTP-JGVYIQDASA-N 439.463 2.495 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCCC2)C1 1620345469 BRRJANSGPHDYEN-HXUWFJFHSA-N 427.484 2.453 30 10 IEEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@H]1CCC[C@@H]1C#N 1620487733 CMRSRGSGIKMZAN-QUCCMNQESA-N 430.574 2.374 30 10 IEEE C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1623277665 DTTAPBYQIRMYIA-KRWDZBQOSA-N 443.529 2.162 30 10 IEEE Cc1cc(N2C[C@@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)ccc1Br 1623340191 IYCBXMFIPBAUJF-LBPRGKRZSA-N 444.289 2.348 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ncnc(O)c2Br)C1=O 1626598050 OZHAAGNOZUBCQX-INIZCTEOSA-N 428.287 2.261 30 10 IEEE C=CCOc1ccccc1CN(C(=O)[C@@H]1OCCN(C)C1=O)c1ccc2c(c1)OCCO2 1627421678 VTPOBISZSPEIQX-JOCHJYFZSA-N 438.480 2.413 30 10 IEEE CCc1ccc([C@@H](C#N)NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1628903971 SMZZHUVJEQEEQL-QZTJIDSGSA-N 435.546 2.354 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ccc3c(C#N)c[nH]c3c2)c1 1630575641 HGGSVCUGEUHDBR-UHFFFAOYSA-N 427.486 2.258 30 10 IEEE N#Cc1cn(CC(=O)NCC2(c3cccc(Br)c3)CCCC2)c(=O)nc1O 1632081841 CBGBGTJVKFOVEE-UHFFFAOYSA-N 431.290 2.211 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 1633578132 NPADIYKOJNIFQM-UHFFFAOYSA-N 429.200 2.210 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 1638512960 LFXQGDQWHSAATA-CYBMUJFWSA-N 447.586 2.477 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCC[C@@H](CC#N)C2)C1=O 1641296198 HRPISQITVXEGHS-ORAYPTAESA-N 433.306 2.368 30 10 IEEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 1642915549 CXKBKXUTQCYYPX-IEBWSBKVSA-N 448.589 2.224 30 10 IEEE Cc1ccc(C(=O)N[C@H](C)c2ccncc2Br)cc1S(=O)(=O)NCC#N 1644878074 KEYMUCXLTZVCEA-GFCCVEGCSA-N 437.319 2.445 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(CN(C)C)cs1 1645636999 BEBLIAYTHPGWSW-MRXNPFEDSA-N 449.602 2.118 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(C(N)=O)(N2CCCCC2)CC1 1648175963 DFVNCGUCZCIMIS-LJQANCHMSA-N 441.576 2.136 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1649429529 TVWHSEUWOUCFIB-JOCHJYFZSA-N 434.544 2.122 30 10 IEEE C#CCN1CCN(C(=O)COc2c(Br)cc(Br)cc2C#N)CC1 1652235555 WLWXCTBOPMVJOV-UHFFFAOYSA-N 441.123 2.239 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1654211220 JBKCXNOEPWBNKI-OAQYLSRUSA-N 432.609 2.123 30 10 IEEE CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1(C)C 1658697891 DPWGJLVWGAOQPX-GDIGMMSISA-N 427.505 2.104 30 10 IEEE C#CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1678152859 GTTITSIRXDRTRL-UHFFFAOYSA-N 429.583 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1689851658 UDMGDDYMRKXELF-WMZOPIPTSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689991051 VCICQUSZHZCTST-FGTMMUONSA-N 438.594 2.208 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690046501 CIQOZOGLFMFRCD-AQNXPRMDSA-N 446.617 2.484 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690186663 TXRBCQGIECRCKO-GVDBMIGSSA-N 440.635 2.186 30 10 IEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1690309883 MRWKTZCCPQPWIL-HNNXBMFYSA-N 438.488 2.186 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690319327 JFFXTOXAYQNGQF-OAQYLSRUSA-N 447.543 2.498 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1690594561 ADMFDCHWBGWTJO-SFHVURJKSA-N 429.546 2.365 30 10 IEEE C=CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690751076 VGHSTOSBFXAJFW-OAQYLSRUSA-N 437.610 2.200 30 10 IEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1692430448 CFOWIMDQGMRWJO-UHFFFAOYSA-N 449.563 2.189 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1696630540 DLTLDXATNBFIQM-LJQANCHMSA-N 429.546 2.257 30 10 IEEE COC1(C(F)(F)Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1697189944 HMNAKOCZCYDKGZ-KRWDZBQOSA-N 437.426 2.008 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)C(C)(C)C 1697190785 BYPOLBWNIAZMQF-LJQANCHMSA-N 440.548 2.492 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCOCC2CCOCC2)c1 1698486396 XJJBBXXEBZRNPE-UHFFFAOYSA-N 443.573 2.219 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705526598 IHUUKYBPYZHTJN-QHCPKHFHSA-N 431.500 2.045 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1705570705 STVIXKYQRKNVNR-GOSISDBHSA-N 445.545 2.140 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCC(=O)NC)CC1 1705637035 HCUGUKAXUPHIQT-UHFFFAOYSA-N 438.576 2.261 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2([S@@](C)=O)CC2)CC1 1705642195 KEOZYTJGHJPANL-WJOKGBTCSA-N 441.601 2.140 30 10 IEEE C#CCSCCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1705665183 MHQNXASRDTYOKQ-UHFFFAOYSA-N 427.640 2.192 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705831369 ORLAAUAFDWOXFU-ZWKOTPCHSA-N 430.578 2.474 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1705832101 MWFRZAKPENBMPH-UHFFFAOYSA-N 429.569 2.180 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1706019747 DEWIFLCHSYHOHE-ROUUACIJSA-N 430.459 2.346 30 10 IEEE CC(C)CCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1706477645 FALOKGOEZNUMKZ-VQIMIIECSA-N 427.546 2.075 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCCNC(=O)OC(C)(C)C 1706594720 CZBVIEDXYNOWDE-UHFFFAOYSA-N 433.557 2.461 30 10 IEEE CCN1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710300177 RJPUWHSYURGOAZ-QHCPKHFHSA-N 440.571 2.124 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1711425023 FNEQNCVTFYVFLF-FUHWJXTLSA-N 446.577 2.293 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@]2(O)CCOC2)cc1 1712880674 ONHVLEQXMBBGMV-IIBYNOLFSA-N 433.459 2.362 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1722297395 ZSVAACTYWNDALP-TYPHKJRUSA-N 441.601 2.475 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)c1occc1C 1722354588 VKPBZEIPWVIVAI-UHFFFAOYSA-N 431.500 2.308 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1722426490 CKCKLBOIAVMIIO-ZHALLVOQSA-N 431.581 2.197 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H]2CCOC2)CC1 1722440697 CEENTHJFPLILAV-LJQANCHMSA-N 425.533 2.048 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 1722453562 XUWMDNMCMSVYEY-UHFFFAOYSA-N 440.573 2.215 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(OC)c(O)c1 1722725048 CRTHQPPPQBIYQS-UHFFFAOYSA-N 443.529 2.292 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1722734444 DIPYEKNSSTWBMB-MRXNPFEDSA-N 429.546 2.337 30 10 IEEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cnn1CC(C)C 1724130547 ROQRYBCNKWYNHU-UHFFFAOYSA-N 432.532 2.352 30 10 IEEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1727770306 AEVFUBRODODNAL-MRXNPFEDSA-N 434.504 2.118 30 10 IEEE CCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c(C)n1 1728073794 HZWDKTNEENTTIY-NRFANRHFSA-N 428.516 2.196 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1728645107 DOMCVIRNPADPML-KRWDZBQOSA-N 433.516 2.384 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740575501 OLEXAGUJRAAPTM-VGSWGCGISA-N 428.537 2.138 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740626348 WVNUWUWYHMULRC-LJQANCHMSA-N 428.558 2.326 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccco1 1740671074 YYTVDYFLCYQRDL-HSZRJFAPSA-N 435.532 2.412 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC(=O)NC(C)(C)C)CC1 1740704438 POUZQZOSFZMXGK-UHFFFAOYSA-N 436.560 2.216 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740956809 QUIGCLPCVKYGQW-UHFFFAOYSA-N 439.907 2.031 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1741124925 HFZLBDRUUTWLFD-SJLPKXTDSA-N 444.561 2.136 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1743857511 CZVLVFJMSKLOPZ-APWZRJJASA-N 430.578 2.170 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1748698718 WRFRUQPBACROQA-KRWDZBQOSA-N 441.536 2.402 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748802111 LDNPGFSNMVMOKY-WIYYLYMNSA-N 434.537 2.075 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748819441 ORGNVAWEIGLUJI-WBVHZDCISA-N 433.603 2.307 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749458233 ZYMJMUAOIMJIDL-RTBURBONSA-N 427.553 2.477 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1749671909 NNUZCFSYOMTHLB-KRWDZBQOSA-N 440.939 2.295 30 10 IEEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1750389654 GGDSPGJEZRGASL-UHFFFAOYSA-N 441.561 2.136 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1751091240 OOJFCFJFQUVZPU-HNNXBMFYSA-N 427.534 2.171 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNS(C)(=O)=O 1751092225 YCDCYCQCPXEIEO-LBPRGKRZSA-N 428.921 2.415 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1751097265 HELYPSTZEOCAOT-MRXNPFEDSA-N 437.548 2.013 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)on1 1751973724 CIIWIHXJHPYZRB-UHFFFAOYSA-N 426.502 2.175 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)c1 1760128219 BUARCPDENFEUDM-IBGZPJMESA-N 436.560 2.448 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1760145156 IXNZOEJJPZOTHE-DOTOQJQBSA-N 445.545 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(NC(C)=O)nc1 1760246749 BIODQDHPAGKOSB-UHFFFAOYSA-N 429.484 2.304 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](OC)C(C)(C)C)CC1 1760263038 LNRFGEZKVIPVOW-FQEVSTJZSA-N 435.576 2.333 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760264826 XPKXXKNZXITYLJ-FPOVZHCZSA-N 434.544 2.299 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760356316 KSMSXERFXYIKOU-SFHVURJKSA-N 430.597 2.318 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O)C1CC1 1760474655 BTVJLPIBLHJLQQ-UHFFFAOYSA-N 431.562 2.068 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F 1760505059 JMMLFVWJTVVSFF-MRXNPFEDSA-N 440.516 2.340 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)(C)C)C1 1760545099 NKQHYMJZUVJRTQ-HNNXBMFYSA-N 444.536 2.092 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1765380333 BCBJWUANLZRQQB-LJQANCHMSA-N 437.548 2.226 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C#N)c4)CC3)CC2=O)cc1OC 1849699129 FIKFZMQMHZDXEH-SFHVURJKSA-N 434.496 2.277 30 10 IEEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(C3CC3)no2)cn1)[C@@H]1CCN(C)C1=O 1850380607 WWAFNALNHNNAIW-QGZVFWFLSA-N 433.472 2.054 30 10 IEEE Cc1ccc([C@H]2[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 1851835761 ZJDKJJQNJFGAAH-URXFXBBRSA-N 447.539 2.147 30 10 IEEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(Cc4cnnn4-c4ccccc4)CC3)cn2c1 1852050305 ZOXQYRMREUGTIH-UHFFFAOYSA-N 446.902 2.398 30 10 IEEE CC(C)(CN1CCN(Cc2nnc3n2CCCC3)CC1)C(=O)Nc1ccc(CC#N)cc1 1853166124 HNYVICLPIIHCSB-UHFFFAOYSA-N 435.576 2.463 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cc(C)nn1C 1854554193 HXCUVOABHFFWCE-UHFFFAOYSA-N 428.514 2.211 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(F)c1 1854569598 NWWGSHSBDHRQPG-UHFFFAOYSA-N 429.473 2.290 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)n1cccn1 1856993848 AJWRMMRTDYFNRA-WBVHZDCISA-N 428.514 2.289 30 10 IEEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1857224363 DPOZBGKQIJTOTI-MSOLQXFVSA-N 430.574 2.252 30 10 IEEE C#CCOC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 1858698233 KDLCEIKFAQNRSD-UHFFFAOYSA-N 428.470 2.320 30 10 IEEE C=CCN(CC=C)c1cc(N2CCN(c3nnc(C)n3C)CC2)nc(-c2cccnc2)n1 1869366923 YXWGTSWUUSQHQI-UHFFFAOYSA-N 431.548 2.481 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cnnn2Cc2ccccc2)cn1CCO 1870443595 UQGXTVOBEWXFMX-UHFFFAOYSA-N 435.528 2.233 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870983236 OVSVAOSZSZJKCZ-IBGZPJMESA-N 437.500 2.197 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2010126557 GGAYEPWWJGIDGC-HNNXBMFYSA-N 440.541 2.062 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2010228717 FUSDNBYCYJISFQ-MRXNPFEDSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCOC1 2010546396 ILLSTXMHSRGACL-CVDCTZTESA-N 428.533 2.297 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060624133 UZLUKKJUTRDDLF-OAHLLOKOSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cc(Br)ccc2C#N)C(=O)C1 2181156802 VQSARACZBCTLML-UHFFFAOYSA-N 437.294 2.339 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cncc(C#N)c1 2195271222 FWKOCFGXIBHLTG-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237398705 NUQXBLFARXQIBN-OXQOHEQNSA-N 437.334 2.482 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243418298 ZUNGKMLOFXTYFY-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243423152 SXLLPYRMXSIXJM-VXGBXAGGSA-N 425.360 2.474 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255544400 ZAUSCLOHVBCCAT-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255595283 HRKSLMKAEMGUJE-UONOGXRCSA-N 434.346 2.132 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255613407 CDBDOOMYAKLTAZ-GJZGRUSLSA-N 434.346 2.227 30 10 IEEE CC[C@@]1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2255616477 OQESVCMYQSUSEI-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255643985 DUVJYDAIYGIOCT-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256617099 GSNHFJDGBXHQPL-WBMJQRKESA-N 438.305 2.338 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256636628 PUBVRNROQBVQSX-HNNXBMFYSA-N 432.330 2.492 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2256916169 AFWLSOCZVVIQCR-KDOFPFPSSA-N 429.278 2.367 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2259344991 AWMXCNLMMZKUPH-RHSMWYFYSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2264254709 JDKYSQQLAMTNEF-KSFYIVLOSA-N 434.342 2.154 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267096319 JBFDGLBXTRUNEL-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267126677 CVWLRPNEJOFITL-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE CCc1nn(C)c(C(=O)NC[C@H]2CCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267141745 MHOMGNBXJROREK-GOSISDBHSA-N 438.381 2.286 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267148328 YAKRJYPHYDPDLJ-RCDICMHDSA-N 446.357 2.228 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCCNC(=O)OC(C)(C)C)C1 2267459822 GDAGKKFHEJZWFQ-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267510328 KARGPJANKPGBPV-CABCVRRESA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267529125 XGWTYPUFEVIBLO-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268710234 HJXUSFOQWZKJQL-SFHVURJKSA-N 446.353 2.104 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@H](N)C#Cc2ccc(Br)cc2)C1 2278809180 JTBGEJPKLKTFKR-HZPDHXFCSA-N 443.363 2.162 30 10 IEEE C[C@@H]1CC[C@H](C2OCCO2)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282858592 ZKIGGFUIYNMNSB-UKRRQHHQSA-N 443.396 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@H](O)[C@H](N)C#Cc2ccc(Br)cc2)C1 2296284088 NDILYUDBWKUAPS-NXHRZFHOSA-N 439.350 2.372 30 10 IEEE CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@]2(O)C1 2297549053 JLZAERUVCODZQO-USVNYHNNSA-N 446.540 2.469 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2301725252 MGXMTTGHXUPAJD-AWEZNQCLSA-N 440.371 2.317 30 10 IEEE Cc1cc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2320572718 BSAPBJQBRIXPPU-RBUKOAKNSA-N 432.370 2.364 30 10 IEEE COc1ccccc1OCc1nnc(SCCO)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2328319759 PANFUUNPFJJXJO-UHFFFAOYSA-N 445.457 2.446 30 10 IEEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OC 2329045402 HWDDMJFNYQFPMA-INIZCTEOSA-N 447.561 2.376 30 10 IEEE CCCOC(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(O)c(OC)c1 2331311760 VJUTTYAFIPHRMX-UHFFFAOYSA-N 438.506 2.117 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)n1C 2337323599 JWSWTMAQTXTZTF-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CS(=O)(=O)C1(C#CC(=O)[C@H](O)c2sc(Cl)cc2I)CC1 2367841973 IHZSMNMTUGGUDC-JTQLQIEISA-N 444.699 2.189 30 10 IEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3c[nH]c4ccccc34)n2)o1 59878920 OOTSKWBZYFLGDB-ODCIPOBUSA-N 425.478 2.086 30 10 IEEE COc1cc(C(=O)NCC#CCOc2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OC 90732106 PWLIVPAEOZOELY-UHFFFAOYSA-N 427.413 2.383 30 10 IEEE COC[C@@H](C)N/C(=N/N)Nc1ccc(Br)c(I)c1 302483064 ZSFAMZZBWXHLKF-SSDOTTSWSA-N 427.084 2.320 30 10 IEEE COc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(C(=O)N2CCCC2)cc1OC 443336292 XNPSTMFPKMDKTB-UHFFFAOYSA-N 442.516 2.324 30 10 IEEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 443935308 LODMFECIVMWELM-UHFFFAOYSA-N 439.946 2.126 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CCOC)C(=O)C1 460581163 YALYKHCCLZTUNG-UHFFFAOYSA-N 437.342 2.297 30 10 IEEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 476560360 GXGCNBRYNUSIAJ-DEOSSOPVSA-N 446.507 2.457 30 10 IEEE CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 478184189 XCQXGVUFHPTWKG-UHFFFAOYSA-N 444.532 2.346 30 10 IEEE N#CC1(NC(=O)CCNC(=O)c2n[nH]c3ccccc23)CCN(Cc2ccccc2)CC1 482554426 ODDVBAGLESJTTG-UHFFFAOYSA-N 430.512 2.357 30 10 IEEE N#Cc1c(CCCNC(=O)NCCCc2nnc3ccccn23)nn(-c2ccccc2)c1N 489430749 DHPTXPXEHKZLSE-UHFFFAOYSA-N 443.515 2.233 30 10 IEEE Cc1onc(-c2cccnc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 505115213 SJQPRGVZENQIDO-UHFFFAOYSA-N 437.481 2.063 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508512222 YLYQUPZZNJXUBW-GHTZIAJQSA-N 436.560 2.273 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccccc1 519357846 BGKQEIQDAUDETQ-UHFFFAOYSA-N 437.471 2.042 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CC1 522842804 MEUWAIWZFIRGFQ-UHFFFAOYSA-N 427.549 2.155 30 10 IEEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 550007463 QRRXDYPUVFTASS-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 553547124 HXTRMNQOEMPZBY-RDJZCZTQSA-N 429.473 2.036 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 558998913 FKCXJUYWEYSXIF-CYBMUJFWSA-N 442.383 2.493 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)NCc2nnc3ccccn23)n(-c2ccc(C#N)cc2)n1 566059156 BPEYZGABBIVHGY-UHFFFAOYSA-N 442.483 2.339 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669813879 XWFRTIOYEGFDJH-NQIIRXRSSA-N 438.576 2.052 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 679752563 BJKJWBPBPDFMJP-UHFFFAOYSA-N 426.501 2.428 30 10 IEEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCN1C1CC1 732649541 KHWVPCPHBBQONH-RDJZCZTQSA-N 432.471 2.339 30 10 IEEE CC1CCC(Oc2cc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccn2)CC1 733846336 CRAAHOKMPNZDAE-MRCUWXFGSA-N 427.505 2.365 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccc(C(=O)NC)c2)C1=O 740616219 GREYDCBLMIYQAF-GOSISDBHSA-N 442.516 2.496 30 10 IEEE C[C@H](CC(=O)NC1CCN(c2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742574349 MPJCIQTUUAUGJL-MRXNPFEDSA-N 426.542 2.289 30 10 IEEE COc1ccc(COC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)cc1C#N 747095023 HNEHCSCCIRVVSD-HSZRJFAPSA-N 437.452 2.394 30 10 IEEE CC(C)C(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 755564938 XPKIPMCWTXYVHE-GOSISDBHSA-N 441.557 2.321 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757449835 KXBKMDHBJSCPDP-BHDDXSALSA-N 448.475 2.275 30 10 IEEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765546591 YNTSKCHPIQOXSW-IBGZPJMESA-N 442.589 2.237 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2cscn2)C1=O 767866381 SDAIPDPYMYVBKV-QGZVFWFLSA-N 431.587 2.385 30 10 IEEE C#CCN(Cc1cc(Br)cc(Br)c1N)[C@H]1CCS(=O)(=O)C1 769446175 IMDYDWVIFZIILM-LBPRGKRZSA-N 436.169 2.416 30 10 IEEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774167329 SHXRPGXSHWFNBB-WOIUINJBSA-N 431.602 2.496 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC#Cc2ccccc2)o1 791321710 NSSFHIWDQFWNFU-QGZVFWFLSA-N 431.466 2.204 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)[C@@H]1CCS(=O)(=O)C1 792309057 JBLRDFXNGFAKED-DVOMOZLQSA-N 429.311 2.276 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 794580128 IKSBSQPQTCYOKQ-OAHLLOKOSA-N 445.610 2.474 30 10 IEEE COC(=O)Cn1cc(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)c2ccccc21 794891935 YJZPWDIRQZYRAD-UHFFFAOYSA-N 427.486 2.096 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)=NO1 798990677 LZCUJEXPRZANQS-LBPRGKRZSA-N 428.424 2.491 30 10 IEEE CCCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H](C)CC(=O)Nc1ccccc1 800706450 DGEIQYQFKIASKN-FVGNFYTDSA-N 427.505 2.352 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3C[C@H]3CCCO3)CCO2)c1 802691050 XUNMACRZTSPIHU-WOJBJXKFSA-N 436.516 2.143 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 805794838 ZAKPSZQOAXQMRX-YKSBVNFPSA-N 447.624 2.402 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1 812934452 WAGMBPUVYBRSAA-SFHVURJKSA-N 441.488 2.092 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC[C@H]2C1 814678321 RQEYRSPSNFORGX-HDICACEKSA-N 434.562 2.306 30 10 IEEE CCOc1ccc(NC(=O)COC(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCCCC1 815413292 LCNLANQQBAXJQT-UHFFFAOYSA-N 449.529 2.435 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 1124620084 MYQMKFKIFGYDES-INIZCTEOSA-N 436.559 2.490 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1137588014 OYQUMFQMGUCDOT-MANSERQUSA-N 435.565 2.332 30 10 IEEE C#CCOc1ccc(CNC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1141020376 GRCPYVPWUKDCGL-HXUWFJFHSA-N 431.533 2.370 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1153333431 QJBXZSAWRUXOLE-CVEARBPZSA-N 426.897 2.243 30 10 IEEE N#CCCn1ncc(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1 1158951105 HIGIRGJJMMNRIS-UHFFFAOYSA-N 437.525 2.474 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCN(C(C)=O)CC1 1286275948 PXNVQYNDGSARTR-HXUWFJFHSA-N 434.588 2.370 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1286381220 OTRTWXGMCQQTHO-OKZBNKHCSA-N 433.553 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)Nc1ccc(F)cc1 1286411479 WCGBQHDVXOUUEL-UHFFFAOYSA-N 441.470 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CCN1CCOC[C@H]1C 1286417060 VSFMRNUCAKITQB-LJQANCHMSA-N 439.585 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286433075 JSPAFEXBMBULIX-SEDAZVQISA-N 442.560 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(C(N)=O)nc1 1286456950 BDYHXUWISNGXLX-UHFFFAOYSA-N 444.539 2.376 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCNC(=O)C(C)C)CC1 1286479051 IUXVNJWESNRVGE-UHFFFAOYSA-N 447.543 2.128 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286634713 BCEHICXRNHYVCI-HXUWFJFHSA-N 433.944 2.188 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1286681369 MJTPCAXPAPLNTD-UXHICEINSA-N 436.560 2.462 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COCCO1 1286761461 ZFJMKICETMOXJQ-FQEVSTJZSA-N 425.533 2.165 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](F)COC)C1 1286803399 HCGBPRMTYMVAOU-IRXDYDNUSA-N 438.525 2.114 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1286815834 AYGUYTMUSPTXOJ-GOSISDBHSA-N 441.561 2.287 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCS(=O)(=O)C[C@@H]1C 1289155814 HRYBNOKDAONDAQ-LBPRGKRZSA-N 445.335 2.134 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CC2(N(C)C)CCOCC2)n1 1290624719 DMBSQPMZJTUCGL-UHFFFAOYSA-N 440.596 2.381 30 10 IEEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1297860049 HESTUCIVMRZRQG-ZWKOTPCHSA-N 448.618 2.476 30 10 IEEE C=CC[C@]1(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)CCCN1C(=O)OC(C)(C)C 1298752852 YGPIVWIGNXBAJS-JOCHJYFZSA-N 431.537 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@@H]1COCCO1 1300276661 OWOPKLRBEJYVDU-DOTOQJQBSA-N 430.505 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2ccnc21 1300555154 VABVQINDPBRUDK-SFHVURJKSA-N 428.500 2.162 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCC(=O)N1CCOCC1 1300563141 FFSIHHJCDARENU-UHFFFAOYSA-N 431.496 2.403 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCn1cncn1 1300638739 VQNMAYREHSGQLS-UHFFFAOYSA-N 430.310 2.371 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1300747087 XKTLGTBZHCWNRI-QGZVFWFLSA-N 443.573 2.434 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300751878 VBWWRJJRPWRGPZ-FQEVSTJZSA-N 436.585 2.342 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301212465 WHYQJROLOSYEAT-INIZCTEOSA-N 447.561 2.153 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1301261993 NOHJQESLXJEJSZ-HXUWFJFHSA-N 426.565 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1301577824 OBODMLMLJADRJU-QGZVFWFLSA-N 432.546 2.244 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(C)CN(C)C1=O 1301774210 SBXVYNVLOYJJNN-AUSIDOKSSA-N 438.532 2.133 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1301852384 CUNSFGKYRZPLGK-IBGZPJMESA-N 448.531 2.494 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@H]1C 1302251601 WBBYYWMLHUJJKB-VHTOSUDKSA-N 441.532 2.050 30 10 IEEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(F)(F)F 1302339570 ZBWFUCDBAKCORY-CQSZACIVSA-N 449.437 2.353 30 10 IEEE CSCCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302765659 UPLHZMQRYCSGQS-UHFFFAOYSA-N 435.561 2.472 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 1302921512 IBVSFVAQRALFQW-FQEVSTJZSA-N 429.567 2.132 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1306534670 GYBLEDGAPGFMTM-FCHUYYIVSA-N 439.495 2.185 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1OC 1315403428 SKMVNUIBPRZUQI-HRAATJIYSA-N 431.468 2.210 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCN2CC=CCC2)cc1 1316529841 FHXLTRSEMPWVHG-UHFFFAOYSA-N 427.503 2.466 30 10 IEEE C[C@]1(c2cccc(CNC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)NC(=O)NC1=O 1318432275 PLFDMGANOAXDRT-XMMPIXPASA-N 447.495 2.084 30 10 IEEE CCCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1354943304 PHKINQMNEKGCFN-UZYVYHOESA-N 443.591 2.433 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1358878266 TXEARDWKCTURCB-HNNXBMFYSA-N 428.514 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358990884 FYKOBABCTRGDIH-SFHVURJKSA-N 432.450 2.066 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359050887 GFCREOLWBNDZKV-KRWDZBQOSA-N 449.558 2.233 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359055928 SNNUHDKOJINJKZ-UHFFFAOYSA-N 445.614 2.341 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359151342 ROZDACYNCTXOIR-SFHVURJKSA-N 439.004 2.305 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359151953 HVFQKGMVMOMPFT-AWEZNQCLSA-N 425.867 2.241 30 10 IEEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359204988 IBBRJBGOZHORCI-UHFFFAOYSA-N 444.605 2.460 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359227084 SBMXDVNORNWLNG-KRWDZBQOSA-N 443.508 2.005 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359295836 PBDMYSAFILJSPJ-OAHLLOKOSA-N 446.939 2.070 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1359476272 APTZCPDTUFUTRL-HZPDHXFCSA-N 444.561 2.409 30 10 IEEE C#CC[C@H](COC)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1438152759 JPOXKEQKQUZHEK-OLZOCXBDSA-N 427.452 2.166 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3=CN(C)S(=O)(=O)N=C3C)c2)c1 1440871903 UKCBOOWYCXJQMV-UHFFFAOYSA-N 437.477 2.347 30 10 IEEE C=CCc1cc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc(OC)c1OC 1442527827 UFFJDFMJZHHUAI-QGZVFWFLSA-N 447.532 2.126 30 10 IEEE Cc1ccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1452732790 FXBRSQGQIUTEMH-QFIPXVFZSA-N 426.542 2.191 30 10 IEEE CCN(CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1463248285 GJAHPNWTUHVJDO-OAHLLOKOSA-N 430.368 2.442 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1466064989 UMUADAIOPHOYLB-HOTGVXAUSA-N 428.537 2.278 30 10 IEEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 1467705294 AIDUOHALLNOZQE-XUVXKRRUSA-N 441.528 2.302 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2(OCCO)CCC(F)(F)CC2)C1 1469729400 MABMOPMTIWMPLV-GJZGRUSLSA-N 446.495 2.002 30 10 IEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O)C1CSC1 1469996098 LUNKTCUQLJWMRY-UHFFFAOYSA-N 447.494 2.292 30 10 IEEE N#Cc1cc(C(=O)N2CCC(c3n[nH]c(CNC(=O)OCc4ccccc4)n3)CC2)c[nH]1 1470360505 LULMHGPOCUUUET-UHFFFAOYSA-N 433.472 2.451 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CC#N)CC2)C1 1503680672 YJXKESRFQXINPO-NRFANRHFSA-N 425.493 2.050 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCOC)CC1 1507579697 FCUDBSNCBHDHKL-UHFFFAOYSA-N 439.516 2.066 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(C)(=O)=O)cc1 1507649025 XJZYMCVMOBFDHQ-UHFFFAOYSA-N 433.537 2.368 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC 1507712911 SSGWHUNQRHLEEO-HJPURHCSSA-N 438.532 2.477 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(SC)cc2)CC1 1507717153 ZCQJKMWDNLXKLU-UHFFFAOYSA-N 438.601 2.234 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1507844500 KXTPOUAVHVZLDH-SJLPKXTDSA-N 444.532 2.446 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1507958067 ZLXCFISCAXYOLT-QHCPKHFHSA-N 427.549 2.415 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1507970045 JNERJPJXKUOVAQ-GOSISDBHSA-N 430.496 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508077407 NGXPJHJASNIOPX-HNNXBMFYSA-N 438.488 2.270 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508162298 MWMIUMUTSLIODX-QUCCMNQESA-N 428.606 2.340 30 10 IEEE CC(=O)Nc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1508278814 ALLJUFQYXNOUPI-NRFANRHFSA-N 431.500 2.194 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ncnn2C(C)(C)C)CCOC1 1508410582 FKLHXXGMFORUMT-IIBYNOLFSA-N 430.557 2.309 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1nccc(C(F)F)n1 1508417640 ILGAQXAUXBZKQB-NSHDSACASA-N 430.419 2.378 30 10 IEEE CCN(c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1515427635 QBBDVLCUBGEYPI-XOMICKMZSA-N 428.537 2.467 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CC1=O 1519205665 FZBTXVJUKXFVST-UHFFFAOYSA-N 436.541 2.416 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1ccc(OC)cc1 1519445929 ANKWGOODWWZFJF-JBACZVJFSA-N 441.532 2.372 30 10 IEEE CCOc1cncc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1532853095 XFMDRUCGCHQWFX-UHFFFAOYSA-N 429.498 2.496 30 10 IEEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1534418618 OLLMKVNPCPIJJI-INIZCTEOSA-N 432.464 2.261 30 10 IEEE COc1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc(Cl)c1OCC(N)=O 1538862914 VZFCZKOMEZWNJW-SFHVURJKSA-N 429.860 2.298 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539210650 FKJQYPAFODNMNJ-UXHICEINSA-N 441.557 2.114 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1539220289 HYTJYLUFIBZBFI-ROUUACIJSA-N 440.635 2.188 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1539430635 KINFWIHWYQEIAX-FYYLOGMGSA-N 436.604 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 1539468064 AFMIDLBXXQOIJS-NRFANRHFSA-N 437.544 2.077 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1539491275 OBAUSHNXHPOLLB-UHFFFAOYSA-N 442.589 2.118 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540195815 IRHXFGQCXTVJFO-INIZCTEOSA-N 428.459 2.175 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](COCC)C1 1540868931 WWGPTZRSYAZCRC-GOSISDBHSA-N 435.532 2.296 30 10 IEEE CC(C)OC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541743596 VRKCUDNUMMLKIK-IDYLYPCZSA-N 444.536 2.050 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1541888610 FORHGQRKXHMSHX-ZDUSSCGKSA-N 443.485 2.056 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1542754900 APFLSMWXBREVNX-IBGZPJMESA-N 431.562 2.121 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2CC)s1 1543170103 YSCLIXGHYKNZMC-UHFFFAOYSA-N 435.571 2.414 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](F)COC)C2)CC1 1547723274 GBQWTLRGDZXBEM-NHCUHLMSSA-N 441.555 2.017 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCc2nnc(C)s2)CCOC1 1547882966 BTDKFVTUTFRAKX-HXUWFJFHSA-N 431.566 2.463 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2ncsc2C1 1557142527 IDYYUNHHOWDXOX-XJKSGUPXSA-N 432.571 2.414 30 10 IEEE C#CCONC(=O)Cc1cc(I)cc(I)c1 1557457267 BYALQSNMFORHAA-UHFFFAOYSA-N 441.006 2.119 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 1561338519 BPLCFAOWFSTIFY-CQSZACIVSA-N 438.506 2.307 30 10 IEEE C=CC[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1567456646 BLXAWANUJBEHHC-JKSUJKDBSA-N 435.525 2.478 30 10 IEEE CN(C)CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1F 1570229095 LVGKNGOKPSQIRD-UHFFFAOYSA-N 434.493 2.210 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1583612033 LZPMWJAKYRYESJ-ZDUSSCGKSA-N 429.336 2.000 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCCNS(=O)(=O)Cc1ccccc1 1584486648 GQXAMVAHZANXCY-UHFFFAOYSA-N 436.331 2.099 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)COc2cccc(Br)c2C#N)O1 1585053307 IQSXKURRLLDQBU-FDQGKXFDSA-N 439.306 2.121 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)c1 1587633547 WGBMZMSFYLITFA-GOSISDBHSA-N 433.564 2.276 30 10 IEEE N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)c1ccccc1Br 1587958883 ZADVAQIQIMIPCV-AWEZNQCLSA-N 428.206 2.328 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)C(=O)NCC2 1588155683 UUCUQXUPWVAELI-UHFFFAOYSA-N 430.537 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1Cc1ccc(C(N)=O)nc1 1588253637 BKZHILDLCJNZAG-UHFFFAOYSA-N 442.523 2.425 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(C)C(C)C)CC1 1588806415 PQPSRALZCMVYHT-UHFFFAOYSA-N 448.575 2.079 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 1588813159 WDPUSTPLMPSZTG-MRXNPFEDSA-N 445.365 2.133 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1594803347 SMLGNYJWCKDJDX-HNNXBMFYSA-N 438.454 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595811831 CFMWAQXVUPFVSJ-GOSISDBHSA-N 432.594 2.339 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1596789045 FFDYNEYVRRWTOH-CABCVRRESA-N 429.550 2.208 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1613437032 KXWICBORKISESQ-VQIMIIECSA-N 441.605 2.412 30 10 IEEE CO[C@@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 1619011037 MLGONJQHQMDXFL-MHORFTMASA-N 446.552 2.203 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cc(C)cc(C)c1 1620024141 DRDGGHURXIRERF-QUCCMNQESA-N 429.521 2.427 30 10 IEEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC2(CC2)C1 1624023966 YJTQYLQNVGXBCK-UHFFFAOYSA-N 438.347 2.366 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)c(OC)c1OC 1626731853 FZPHUFQIGQDTQN-UHFFFAOYSA-N 439.472 2.163 30 10 IEEE CCOC(=O)CON=C(C(=O)NCCc1nc(-c2ccccc2)c(C)s1)c1cc[nH]n1 1628395889 ZWPYSYADSBWKSA-UHFFFAOYSA-N 441.513 2.484 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3nnc(C)o3)cc2)cc1 1632893690 NWTXTNRMNLWDRQ-UHFFFAOYSA-N 426.454 2.121 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)C1 1638203363 NTQKJSWZSRBQMZ-KSWRQPAISA-N 434.537 2.365 30 10 IEEE CC(=O)N[C@@H](CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1c(F)cccc1F 1639049406 BKHACRJMIWCUSH-SFHVURJKSA-N 445.422 2.436 30 10 IEEE CCON(CC)C(=O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1640574203 VGDCXHUZSPBMIW-LJQANCHMSA-N 430.505 2.309 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2c(Br)ccc(OC)c2F)c1 1653697701 BSTKFUMCTKNYAY-UHFFFAOYSA-N 441.278 2.495 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 1671511091 UAYZQTGEIWKOOE-UHFFFAOYSA-N 436.530 2.481 30 10 IEEE C[C@H]1CN([C@@H](C)CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)O1 1683629386 DUJBOOAZUIRBFB-YESZJQIVSA-N 442.520 2.136 30 10 IEEE C=CCOc1ccc(CNC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1686427040 CCIKWONNNFVVEX-UHFFFAOYSA-N 444.557 2.191 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1690006689 XGLRWQNCTUSUGC-HNNXBMFYSA-N 447.358 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C)n(C)c1=O 1690050197 WNGBIHHXGISXAW-UHFFFAOYSA-N 429.524 2.396 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC[C@H]2C)n1 1690109377 PFRSDILXVBBKEY-RTBURBONSA-N 437.548 2.429 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)N2CCOCC2)CC1 1690125779 MQEQVBPNLBIWRE-UHFFFAOYSA-N 436.604 2.043 30 10 IEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1690444523 IXPKPDVCPSUNIQ-IRLDBZIGSA-N 449.559 2.380 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC)C1CC1 1690545848 ZTPDAACSFKETHA-QGZVFWFLSA-N 448.568 2.268 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1690642213 BXCVAZVXIOBHEB-AQNXPRMDSA-N 430.597 2.332 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1690681770 ZYWZBLWNCKDADO-UYAOXDASSA-N 426.517 2.204 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCO[C@H]1CCOC1 1691083234 VTYZWCAUQNAUKK-KRWDZBQOSA-N 426.521 2.306 30 10 IEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1692022269 ABVRSADIVODKJK-GCJKJVERSA-N 438.532 2.068 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1692849870 DESYDIZYKBKVNL-FQEVSTJZSA-N 426.431 2.158 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1693571410 ZMIMYAUIYBEXGC-CALCHBBNSA-N 446.577 2.150 30 10 IEEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)CC1 1693738380 BZKWLOYPKGOLNS-UHFFFAOYSA-N 437.592 2.317 30 10 IEEE COc1cc(-c2nnc(N3CCOCC3)n2Cc2ccc(C#N)o2)cc(OC)c1OC 1697259305 BVGVXIVIAIBBKG-UHFFFAOYSA-N 425.445 2.320 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(C)(=O)=O 1705486070 WHDYLOBVSDWACV-LLVKDONJSA-N 429.315 2.349 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1705631967 FISYGMVDSBHOIK-REPLKXPHSA-N 430.597 2.155 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCO2)CC1 1705643550 JZPCFZBVYPDMOC-MOPGFXCFSA-N 444.580 2.284 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1705829309 NCYKSEQUNDQIRH-IBGZPJMESA-N 435.532 2.020 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1705889763 BWAQPPCNBBJBCK-HNNXBMFYSA-N 438.301 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CC#N 1705928104 LKYCTSIXNWSJCV-KRWDZBQOSA-N 444.561 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(C)C)C1 1705937025 FTDVCUQHJYDCHK-QGZVFWFLSA-N 439.607 2.096 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1 1705989696 ABSOAJPPHDYAMC-GOSISDBHSA-N 428.587 2.334 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1710295714 LYJCKJSMJGJLKQ-TZIWHRDSSA-N 429.613 2.186 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1 1710296637 GQPBSCMUUKIZRW-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](COC)C1 1710897528 FAUOUACXANKFRD-SFHVURJKSA-N 446.577 2.009 30 10 IEEE CN(C)C(=O)CCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710978126 XHVOQUPGBNGMSA-UHFFFAOYSA-N 436.564 2.397 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CC#N 1711425027 FOUZRFNFALFHIC-INIZCTEOSA-N 448.593 2.442 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722288555 BTSKDBPZZOCBNR-LJQANCHMSA-N 429.528 2.147 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1722295288 SHGQHTBRCSUBMQ-SJORKVTESA-N 428.541 2.142 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722367579 WOBIRMIVJUFVPI-SJLPKXTDSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CC1 1722373544 OPEBLIIDGFXCDL-GOSISDBHSA-N 425.558 2.001 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN1CCOC(C)(C)C1 1722385517 HPJBNRVLNQVDBL-UHFFFAOYSA-N 425.508 2.180 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1722402761 PYKKOOIOSRHWDL-CYBMUJFWSA-N 425.942 2.058 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C)n2)CC1 1722447874 OSLMFTBLCGLMCE-NRFANRHFSA-N 436.560 2.432 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722549203 GHWQGGUQEKWYRR-KRWDZBQOSA-N 431.972 2.169 30 10 IEEE C=CCCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1722609879 HTWUCMNJZDTGFA-RTWAWAEBSA-N 438.594 2.302 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1722627792 NOVJDEMQDKNXLY-SFHVURJKSA-N 443.527 2.073 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)[C@@H]1CC 1722689456 TZOKCKOZBIAHGI-YOEHRIQHSA-N 446.939 2.089 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)C1 1722716740 XLQBGTBQNROYMU-YOEHRIQHSA-N 444.923 2.368 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)C1 1724021143 UZPCFMGSSTWPAG-AUSIDOKSSA-N 438.532 2.104 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@H](C)O1 1726672241 QCFWTLPSLWJGRH-HOTGVXAUSA-N 429.546 2.255 30 10 IEEE CCN(CC)CCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728419393 NMCNADXWINHRNE-LJQANCHMSA-N 425.537 2.396 30 10 IEEE CN1CCCC(C)(C)[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1729599844 BXZZXIUMEZQZNH-RBUKOAKNSA-N 448.637 2.431 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1729745630 UVXLUAGCBVASKG-GOSISDBHSA-N 444.561 2.070 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1CCN(C(=O)OC)CC1 1730762852 NHJVBANMNFRESE-SFHVURJKSA-N 434.541 2.017 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1CCO[C@H](C)C1 1730871205 UOLNFATVLSOLHE-WERVVEIQSA-N 446.596 2.384 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1)NC(=O)OC(C)(C)C 1731146449 DAQISERGUYLITG-ZBFHGGJFSA-N 431.541 2.272 30 10 IEEE C#CCCCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1740579807 WHPADQSDVJEKAF-UHFFFAOYSA-N 427.534 2.476 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740691894 BYEQIJYUDVGROM-HOTGVXAUSA-N 447.381 2.464 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCOCCN(C)C)CC1 1740693461 YYHBUDKLSJHUNO-UHFFFAOYSA-N 447.587 2.135 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740693555 CIGPGOCPMSLGCM-QGZVFWFLSA-N 425.537 2.009 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCOC2)C1 1740751769 OLBXNLDEORXSLC-WCAVRKLYSA-N 447.580 2.173 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)CC1 1740758791 BYXKWAAREGHQFC-FPOVZHCZSA-N 430.574 2.393 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1740773854 FMMQLQDOTSDUJC-LJQANCHMSA-N 449.577 2.070 30 10 IEEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1741136031 IBGQQQSDXJNTPK-CQSZACIVSA-N 447.465 2.168 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1741868847 DRWIQXSYBAYJQQ-IERDGZPVSA-N 426.500 2.099 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1741903866 FCMFJLNZCOIUOX-QWHCGFSZSA-N 426.493 2.148 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)C1 1741990614 GPUVFACXGLDVNP-QHCPKHFHSA-N 430.516 2.416 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1743408215 ZJUKCMFCJGKFNS-RBUKOAKNSA-N 449.559 2.226 30 10 IEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)CCOC1 1748504695 ACWNZFWMBANEGL-AUSIDOKSSA-N 441.532 2.397 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1748818022 UQPWLOGALCDBGA-KRWDZBQOSA-N 433.603 2.269 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1748922639 GPCVMEPRFFEQBO-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)s1 1748963018 WLDNVOUPGGUVFG-AWEZNQCLSA-N 442.994 2.224 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](CC)N2CCCC2)CC1 1749008849 HJUFGCLBLMOPLD-OAQYLSRUSA-N 435.576 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC)c2)CC1 1749009295 HKCFEUOADMAVDQ-HXUWFJFHSA-N 437.544 2.195 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1749215984 HUVZJBLMFJSDDR-KRWDZBQOSA-N 443.504 2.292 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749234843 JZSYPZBSICVFAY-UHFFFAOYSA-N 444.624 2.348 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2OC)CC1 1749286772 QUJPYEYUAMDYHE-OAHLLOKOSA-N 435.550 2.110 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1749390542 GEPXTAUWGYCUOC-INIZCTEOSA-N 435.598 2.362 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749658437 QBNDZQXUPKSZQT-UHFFFAOYSA-N 445.589 2.213 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2Cl)C1 1749694432 RVCALKVYIBTDGZ-INIZCTEOSA-N 446.939 2.423 30 10 IEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1760178065 YDPOZIDWFABKET-HSZRJFAPSA-N 441.601 2.443 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC=CCO2)CC1 1760266980 CTZLIGQWSLEACX-GOSISDBHSA-N 440.935 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC=CCO2)CC1 1760267386 JZHGZGWAMNIXLH-NRFANRHFSA-N 435.528 2.265 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1760290452 GMOUOGWSAVJDCU-PKTZIBPZSA-N 431.581 2.473 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)o1 1761760098 YOHIBZUAMJYEIW-SFHVURJKSA-N 425.537 2.185 30 10 IEEE CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1762162635 FPSDPTOZRXGYIP-FXAWDEMLSA-N 428.585 2.411 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1762404171 CAINKTKTTXGCLL-UHFFFAOYSA-N 431.562 2.381 30 10 IEEE C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1762989799 SOYVJKUVOGQQMZ-MEFWESNSSA-N 428.537 2.181 30 10 IEEE CCN(CC)C(=O)CCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1764875891 SCNBONVCALCATE-UHFFFAOYSA-N 436.564 2.397 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1766497118 BSGICZOXNYLMCW-XXBNENTESA-N 441.532 2.397 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@](C)=O)CC2)cc1 1768577771 ICOFZYNOBITXMB-KEEVHDRGSA-N 431.537 2.425 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1769593572 ABPYUJQWERLHJD-BHIYHBOVSA-N 431.562 2.034 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1OC 1770044282 VGFBAHZVJPVLJD-VGOFRKELSA-N 442.495 2.319 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1770156642 KDMIBUNBCYYOLM-WZONZLPQSA-N 441.532 2.254 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCCO[C@H]2CCOC2)cc1 1770741170 ZANGAMWRYBXIJX-IBGZPJMESA-N 429.546 2.478 30 10 IEEE Cc1cc(C)c(C#N)c(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)n1 1851654972 OLICNBBEAZLOQF-UHFFFAOYSA-N 447.474 2.325 30 10 IEEE COc1ccc(Cn2c3c(c(C#N)c2NC(=O)CN2CCN(C(C)=O)CC2)CCCC3)cc1 1852175670 QOZVQSIQPRJACR-UHFFFAOYSA-N 449.555 2.398 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)cc1 1853156012 TVUZBKABCYONRO-HXUWFJFHSA-N 447.499 2.368 30 10 IEEE Cn1nc2c(cc1=O)C[C@H](N(Cc1c(Cl)nc(Cl)nc1Cl)C(=O)CC#N)CC2 1853458991 XAVSMNXYGRHUGO-SNVBAGLBSA-N 441.706 2.330 30 10 IEEE CS(=O)(=O)[C@H]1CCN([C@H]2CCCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1854016447 FLNNGVDUPIYYME-YJBOKZPZSA-N 437.949 2.046 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1856533545 KUWGGJRSZYNHIF-HXUWFJFHSA-N 431.558 2.166 30 10 IEEE CC(C)Oc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857042077 RIUZHWVHSZIEBM-SFHVURJKSA-N 433.530 2.028 30 10 IEEE COc1ccc(N2CCN(C(=O)[C@H](C)CS(=O)(=O)Nc3cccc(C#N)c3)CC2)cc1 1858111504 PWICGTRAGGVRSF-QGZVFWFLSA-N 442.541 2.293 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2N2CCOCC2)C1 1858422672 YQGPQTYWOBLFLA-SFHVURJKSA-N 440.525 2.044 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(C)=O)c2)cc1 1858963902 DNBCIFANPDSGNI-UHFFFAOYSA-N 431.470 2.176 30 10 IEEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868774711 OKYPMFGJJZJXNB-WMZOPIPTSA-N 432.590 2.150 30 10 IEEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCC2(CC1)OCCO2 1870667640 JBYFAQJMRFFQBB-UHFFFAOYSA-N 435.565 2.412 30 10 IEEE CCCCCCCCNC(=O)CNC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O 1873886184 KYMMURRKJAJSRL-UHFFFAOYSA-N 432.521 2.007 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cccn1C 1874431807 YOWSNDLPCUMWMU-SSDVNMTOSA-N 425.518 2.174 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874501127 REUNLNYUHDQQQY-QGMBQPNBSA-N 433.475 2.402 30 10 IEEE CN(C)CC#CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1890890325 CJRHOWRJFLISLP-LJQANCHMSA-N 435.565 2.030 30 10 IEEE CC(C)(C#CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)NC(=O)OC(C)(C)C 1911219197 WOKXIFZMOUGTHF-JKSUJKDBSA-N 439.553 2.027 30 10 IEEE N#C[C@@H]1CCCN(S(=O)(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)C1 2174779129 FTZHYYZEDGAWRN-IBGZPJMESA-N 432.546 2.344 30 10 IEEE C[C@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243417042 LEXOSSHXLUBRDX-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C[C@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247881260 UYPROKJAWSDLNV-CQSZACIVSA-N 440.371 2.177 30 10 IEEE CC1(C)OB(c2cccc(CS(=O)(=O)N(CCN)Cc3ccccc3)c2)OC1(C)C 2247904664 PAHOTBQUVWTBJJ-UHFFFAOYSA-N 430.379 2.277 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247905572 IWSVGKBFPNOWTL-OPAMFIHVSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247906924 SHULJTWQMKTKIK-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248404780 PACOKBJREZDESE-HNNXBMFYSA-N 435.355 2.330 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1)B1OC(C)(C)C(C)(C)O1 2249482250 LEJRYQQWXCWKJX-CYBMUJFWSA-N 440.293 2.037 30 10 IEEE Cc1cc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2255826865 DWYQFFDEHUJRGS-GOSISDBHSA-N 430.232 2.170 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)(C1)C2 2266077364 WYIYEGJCMHLLHK-UHFFFAOYSA-N 445.325 2.146 30 10 IEEE CC1(C)OB(c2cc(F)ccc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2266990565 SZRVLRZEGMOSOD-LJQANCHMSA-N 444.234 2.408 30 10 IEEE Cc1cnc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2267118331 JQNUUTOYLGZALQ-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 2267184009 KCPNNXVLPQRBCL-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267266899 GKGULYROUOWGLB-HNNXBMFYSA-N 446.357 2.294 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2267502608 QFWJSHUIIZPHAN-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2CCC2)C1 2267519613 JIXLCDVPGLPPLT-UHFFFAOYSA-N 446.357 2.323 30 10 IEEE C[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]1CNC(=O)OC(C)(C)C 2267519631 JOISZCPSIMPIRK-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2267523480 CDCLAEDGCBSSFK-GASCZTMLSA-N 448.373 2.235 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2271392531 DUDCUAGRPFQDTH-GOEBONIOSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@](O)([C@H](N)C#Cc2ccc(Br)cc2)C1 2278791425 RQCCFYHWLUNLIV-VQIMIIECSA-N 425.323 2.126 30 10 IEEE C=CCN1C(=O)C(=Cc2ccc(OC)c(I)c2)C(=O)NC1=S 2294199377 YLRHWNPUCONOCO-UHFFFAOYSA-N 428.251 2.113 30 10 IEEE O=C(CN1C(=O)C(=NO)c2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 2296476346 XAJKKERLPJSWMQ-UHFFFAOYSA-N 442.497 2.025 30 10 IEEE CCCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314460196 AQKMPBBWGSRLET-UHFFFAOYSA-N 431.587 2.021 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@H]2CN(C)C[C@@H]2NC(=O)OC(C)(C)C)n1 2315404229 SFWOLXGBXMHAAO-IRXDYDNUSA-N 433.358 2.275 30 10 IEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2315696371 XVMGUYAMSZRMGJ-KBPBESRZSA-N 449.382 2.380 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2331612721 TZNOOMIONHXYLG-UHFFFAOYSA-N 427.486 2.126 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCCN(Cc2ccccc2)C1 2337193524 DTPREXHZALUUAH-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2343885340 UVYOXWGBJFVSGA-JYJNAYRXSA-N 444.341 2.360 30 10 IEEE O=C(NCc1ccccn1)c1ccc(Cl)c(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 2959196 BIEGLGZFTGEIPR-HZPDHXFCSA-N 436.946 2.155 30 10 IEEE C#CCn1/c(=N\C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(C)(=O)=O)ccc21 9521920 BTIGRBSYSSLDBQ-QZQOTICOSA-N 428.491 2.138 30 10 IEEE CCn1c(=O)/c(=C\c2ccc3c(c2)OCO3)s/c1=C(/C#N)C(=O)Nc1ccc(C)cc1 12618463 MLEIGAWBZNAKED-CHBYPNEBSA-N 433.489 2.109 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc1 20291834 JSPILOABMPLDOR-KEBDBYFISA-N 427.446 2.330 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 29821311 BWGGLKCEXXGCEQ-IRLDBZIGSA-N 443.931 2.483 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCc3ccc(C(=O)OC)cc3)o2)c1=O 101351030 VMIVZMSUWNGEMZ-UHFFFAOYSA-N 428.470 2.084 30 10 IEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C1CC1 431232470 YMOVMRIVRZOZLF-UHFFFAOYSA-N 445.610 2.259 30 10 IEEE CN1CCC(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)(N2CCCCC2)CC1 466140571 MKRCWLLFDCOOKU-UHFFFAOYSA-N 442.583 2.479 30 10 IEEE COCCN1CCCN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1=O 469697730 LXMQFRRQICGEMJ-UHFFFAOYSA-N 441.532 2.127 30 10 IEEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 476798304 UIRILKFMFMVMDS-HXUWFJFHSA-N 448.479 2.185 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 478845947 PZBYIGBJTPXQIR-IBGZPJMESA-N 441.512 2.269 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(F)c1 481015860 AICWZBBDRLEENI-UHFFFAOYSA-N 437.518 2.101 30 10 IEEE COc1cccc(C[C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 494696552 JFTTWVCQYXAYOB-KRWDZBQOSA-N 442.541 2.214 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508906684 HVDGKILFVMDUKN-INIZCTEOSA-N 426.912 2.240 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCCO2)c1=O 514492616 PHKLFEHSRQJFEH-MRXNPFEDSA-N 443.594 2.021 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1ccccc1C 516372493 MTIQYBIPRLJXHR-UHFFFAOYSA-N 433.533 2.082 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)s3)c2=O)cn1 530893042 UUHSKRFHZGYYIM-UHFFFAOYSA-N 448.529 2.108 30 10 IEEE CC(=O)N1CCN(C(=O)CCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 536945284 VELJXMPIMXOLLY-UHFFFAOYSA-N 433.512 2.105 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2C[C@@H]2CCCO2)cc1 559126210 YWCBLHSXRATXAN-FQEVSTJZSA-N 443.511 2.353 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 585764064 QDYGZIPSYYPNPU-HNNXBMFYSA-N 448.495 2.242 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 586082386 RIZMVKPBSBJXRH-IBGZPJMESA-N 426.498 2.100 30 10 IEEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2)c1 586576491 VVTUPUBYVRWZKH-UHFFFAOYSA-N 434.477 2.388 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1 590086424 KEHHGXXWAXLHMW-UHFFFAOYSA-N 425.507 2.110 30 10 IEEE CS(=O)(=O)O[C@@H]1C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 720717740 WHZICJOGGKVTAB-BFUOFWGJSA-N 431.466 2.439 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(C)C)cc1 733201688 XLMBDAHECVPNBQ-LJQANCHMSA-N 430.574 2.497 30 10 IEEE C[C@H]1NC(C(=O)N[C@H](C#N)c2ccc(Br)cc2)=NN(c2ccccc2)C1=O 733253080 FWFQVRQASGPOAQ-MLGOLLRUSA-N 426.274 2.468 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 734290903 BGKHDFFFGKKBCW-INIZCTEOSA-N 431.901 2.374 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744029753 UZIRNCOHLNMNDO-YHUYVZNPSA-N 437.496 2.011 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2ccc(OC)c(C#N)c2)C1=O 746529278 NQGDVSNGKMCWLG-KRWDZBQOSA-N 439.497 2.238 30 10 IEEE COc1ccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)cc1C#N 746922784 UEJVAVBTAWKWPT-GOSISDBHSA-N 433.555 2.283 30 10 IEEE COc1ccc(CNC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1C#N 747070245 KHGLGQYXMHHXBK-KURKYZTESA-N 429.542 2.480 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)C1 757597799 UCCKUBPNCTYDEN-SNRMKQJTSA-N 436.516 2.474 30 10 IEEE C=CC[C@@H](CO)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 757986547 OLFOKCVEBKIVDF-LBPRGKRZSA-N 425.507 2.498 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2Cn2ccnc2)[C@H](C#N)C1 759506626 ZUKGTBVWRNWSEC-QGZVFWFLSA-N 431.518 2.065 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 764739527 CQKPPSUOBUMADP-YOEHRIQHSA-N 441.492 2.285 30 10 IEEE CCc1nc2ccccc2n1C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 772480937 HPLZYPZGKAOUHU-QURGRASLSA-N 436.516 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C1 789727715 HHPRKJJSNXPVRJ-KBPBESRZSA-N 431.493 2.320 30 10 IEEE C=CC[C@@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)CCCN1C(=O)OC(C)(C)C 790838224 GGJCMTZSNPJABZ-IBGZPJMESA-N 425.507 2.324 30 10 IEEE COCCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2ncccc2C#N)CC1 802392399 KIXMOQONNHGWHS-FQEVSTJZSA-N 431.500 2.194 30 10 IEEE Cn1nncc1Cn1c(-c2ccc(O)c(C(N)=O)c2)csc1=Nc1ccccc1C#N 807926133 YGPQYMWJTKSRGC-UHFFFAOYSA-N 431.481 2.302 30 10 IEEE COc1cc(CNC(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1C#N 811938042 OAFLBVOEIAYBOA-LJQANCHMSA-N 443.548 2.403 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2c3c(nn2C)CCCC3)c1 812922741 NIGOJEAQPWSYHN-LKUDQCMESA-N 444.561 2.433 30 10 IEEE O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 820173968 FMKIYNXIHCFPHW-INIZCTEOSA-N 432.274 2.350 30 10 IEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc(F)cc3)n[nH]2)cn1 1084489750 ASHJNPNDZNETGN-UHFFFAOYSA-N 432.485 2.354 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)NC3CCCC3)n[nH]2)c([N+](=O)[O-])cc1O 1084557354 ODWJQSYXEZSGIY-UHFFFAOYSA-N 435.466 2.024 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1C[C@@H]1CCCO1 1115869825 NRZDTUWAGVZJEI-HNNXBMFYSA-N 431.583 2.397 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccnc2)cc1 1125155419 FVKIBNKHLISJLW-PZJWPPBQSA-N 442.541 2.436 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1142422845 OQMZOQZQFWRFEU-KCLUMXDGSA-N 443.569 2.162 30 10 IEEE CC(C)C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)CC(=O)O[C@@H]1CCOC1 1143699447 NQGNWPJTMALFOS-OXJNMPFZSA-N 439.516 2.440 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc([Si](C)(C)C)cc1 1147746806 SJLFATMZXFGZMD-MRXNPFEDSA-N 429.618 2.129 30 10 IEEE COC(=O)c1ncoc1COCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1154408484 QTAOOBPLMRFFLY-UHFFFAOYSA-N 426.429 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)C2(C#N)CCOCC2)CC1 1155443451 VDTKVBIBXLBMQS-KDURUIRLSA-N 432.565 2.381 30 10 IEEE N#C[C@@H](CO)NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 1157964768 YLFRRCBPFRBWFI-ZDUSSCGKSA-N 435.221 2.158 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C[C@H](O)c1cccc(C#N)c1 1171841377 OCWYHVKZIZOCOK-IKGGRYGDSA-N 441.450 2.445 30 10 IEEE O=C1NCCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(C(F)(F)F)cc1 1192966917 YYSLOEFMJAOKQS-IBGZPJMESA-N 441.409 2.478 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 1194425161 ADUUNWMSTKKNRD-SSEXGKCCSA-N 433.574 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCOC1 1286280164 UBCZFKLSPHYZOW-YJYMSZOUSA-N 435.322 2.326 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1286373529 OXETUTNQQAXTRP-KRWDZBQOSA-N 443.420 2.480 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1286388623 SLLFZXOXIQKNEL-GOSISDBHSA-N 441.582 2.339 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1286469449 FYEHQUUKGMEGID-UHFFFAOYSA-N 440.567 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@](C)(O)c2ccco2)CC1 1286488237 XFQIRLWAWAIMSH-HSZRJFAPSA-N 437.500 2.313 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286798350 GYSXIIDHTBVKQM-WZONZLPQSA-N 425.533 2.358 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NC)c2)C1 1286812746 SFOYUEYTISBJSY-NRFANRHFSA-N 432.528 2.453 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N2CCOCC2)C1 1286812944 UYOPABMGCGOJOA-NRFANRHFSA-N 439.560 2.094 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1288976430 ADGPOHUAHNHIEM-UWJYYQICSA-N 429.546 2.259 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCOCCCO)o1 1289598365 SLHUSTNLFKPUIW-UHFFFAOYSA-N 436.516 2.444 30 10 IEEE CC(C)[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2nc[nH]n2)no1 1295424917 SDHSFFLBRZOQDY-MRXNPFEDSA-N 443.508 2.319 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1297411755 JFHDLPMHYYAYBN-KHOFPDMRSA-N 442.564 2.400 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@H](O)C1 1300438609 OTJITPGOLRVMHB-IRXDYDNUSA-N 430.578 2.167 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300485802 YSWNCOHNGXJDCZ-WRWLIDTKSA-N 436.603 2.388 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301177216 VYJPTCSUYMUKBB-IBGZPJMESA-N 435.536 2.382 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1301196344 AJSTYBGWMKPQIG-QGZVFWFLSA-N 443.577 2.053 30 10 IEEE C=CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1301237929 YISXMPYLLNXKNE-GOSISDBHSA-N 449.581 2.317 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1301270746 KPPFODCKGMTSRR-HSZRJFAPSA-N 425.533 2.275 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1301496515 BTKOJBKDNHHMLQ-CABCVRRESA-N 446.577 2.418 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301507989 CGCWPORDZAVPFQ-GOSISDBHSA-N 437.548 2.070 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1305151085 WFFORPTWNZACAZ-UGKGYDQZSA-N 437.592 2.314 30 10 IEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1313452141 DPZWFGQJTZJFJT-PZJWPPBQSA-N 435.532 2.332 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1(C)C 1315736134 MVPLZQWMNZHYAW-MOPGFXCFSA-N 427.505 2.005 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1316189423 NEDOTBXZOPQLCC-ZRCGQRJVSA-N 448.612 2.489 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCS(=O)(=O)c2ccccc2)C1 1316526683 AWDRAUSPFYGJPK-FQEVSTJZSA-N 441.492 2.041 30 10 IEEE Cc1noc(C)c1COc1ccc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1349456121 HCRIKSQBFZNWEL-UHFFFAOYSA-N 436.472 2.483 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1358870991 YBKJYUMFWHDVLB-MRXNPFEDSA-N 445.483 2.388 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC[S@](=O)CC)c1 1358901564 ORCDTEGVODWVEP-WJOKGBTCSA-N 436.541 2.165 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC(C)CC1 1358951719 JDWQZLKZNKAETK-UHFFFAOYSA-N 449.647 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(C)COC2)CC1 1359046461 SIDSHBJOWMZMLL-UHFFFAOYSA-N 425.508 2.010 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1359139806 FBTWOBBRJFPAKH-UHFFFAOYSA-N 436.560 2.466 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359288453 FNIBJTAMBYRWBD-PMACEKPBSA-N 437.592 2.076 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1360478603 MALIDDISLILQKJ-ZDUSSCGKSA-N 428.447 2.039 30 10 IEEE C#Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c(Cl)c1 1439801322 GOIOJQFXIBNVMR-UHFFFAOYSA-N 425.915 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CCCCS1(=O)=O 1446731247 GGZTYRJNBMZFPS-IEBWSBKVSA-N 447.557 2.476 30 10 IEEE C=CCC1(O)CN(C(=O)c2cn(CC)c3cc(N4CCN(C)CC4)c(Cl)cc3c2=O)C1 1455683297 WRQSJUSGUOFADO-UHFFFAOYSA-N 444.963 2.190 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc3c(cc1Br)NC(=O)CO3)C2 1456733211 HRDGZEJUHYHRAD-UHFFFAOYSA-N 433.287 2.494 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)CCO2 1462753630 UEINPMSWCGRJPE-BIWSTMPVSA-N 437.290 2.317 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)C1=O 1463520028 HNQPAPHQLBICAD-UHFFFAOYSA-N 442.472 2.290 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCc1ccccc1 1464218471 LMVVPMMICSBFES-MRXNPFEDSA-N 445.969 2.258 30 10 IEEE CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1467918952 HDDIFPGDCHIXKY-CYBMUJFWSA-N 438.502 2.408 30 10 IEEE CC(C)C[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOCC1 1469386819 JGQAGXZLFTVMQL-IBGZPJMESA-N 435.565 2.027 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)nnc12 1472609386 IMWDTGVJEOGPIH-ZXTQRBJTSA-N 427.530 2.250 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCc2sc(S(N)(=O)=O)cc2C1 1473659074 LJUJSFRXGQQIFP-CQSZACIVSA-N 448.570 2.098 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)NCc3ccnc(N4CCSCC4)c3)CC2)nc1 1477759753 FDJFEYCUWVSIOL-UHFFFAOYSA-N 437.573 2.370 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1492721479 AEJHHDLVOZRCRV-UHFFFAOYSA-N 433.564 2.469 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1496841345 WAFIDSDUYABTBV-YCRPNKLZSA-N 428.516 2.098 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C[C@H]1N1CCOCC1 1499698121 YQOJOONNJJRSJN-HMXCVIKNSA-N 442.539 2.348 30 10 IEEE CCCN(CC)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1500784186 OPMCTSFCNDSHDM-UHFFFAOYSA-N 433.520 2.002 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccs1)N(C)C 1504998883 LGTZRTUEZLBNFO-ZACQAIPSSA-N 434.566 2.095 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(C)(C)O 1505001521 CIIUZXSSQBKBSD-QFBILLFUSA-N 429.521 2.223 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1505121139 KKSYTGVTRAGEOS-HXUWFJFHSA-N 440.573 2.092 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCC[C@@H](O)C2)c1 1507552866 VCIOLIUHSFGVGX-AZUAARDMSA-N 425.533 2.422 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507622339 HRQKIEUSBQCWJN-KGLIPLIRSA-N 438.504 2.194 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(Cl)c1 1507713312 FMBQHTAIBMYSKS-UHFFFAOYSA-N 431.924 2.197 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)F)c2)CC1 1507715628 FHMNLIKAYIQHPE-UHFFFAOYSA-N 428.487 2.255 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccsc2Br)CC1 1507731206 CUZPWXUTUSDMOS-HNNXBMFYSA-N 436.379 2.410 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508079188 PHWRGNHOUYWAJO-UHFFFAOYSA-N 449.559 2.202 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1 1508090712 PBUPJTUEMGDVIA-UHFFFAOYSA-N 446.559 2.391 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508092649 DSEJJPDRRCMRTA-AWEZNQCLSA-N 448.980 2.193 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCn2c(nc3c2CCCC3)C1 1508131364 LVYHNKSVTCOVJV-MRXNPFEDSA-N 432.594 2.488 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CC1 1508644487 GJZBOALDMOTGNZ-DLBZAZTESA-N 432.525 2.115 30 10 IEEE Cc1nnc(N2CCC[C@H](CN3CCCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511860122 BJEWFKNSKYBWFN-LURZSEBBSA-N 441.580 2.205 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)N[C@@H](C)CC 1513913075 CYXSZWSMZMHKRU-INIZCTEOSA-N 427.528 2.483 30 10 IEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c(OC)n1 1518265673 LVZFXXQNJXVWSJ-BEFAXECRSA-N 434.500 2.484 30 10 IEEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1520247502 WNGSHEDOUYJYKY-JXPGLKHUSA-N 446.577 2.378 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1520265563 CHEWHDYRNYMYHE-PKOBYXMFSA-N 429.546 2.476 30 10 IEEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC[C@H]2CCCO2)CCO1 1521136116 BWIOEQQEDSRTBE-RTWAWAEBSA-N 425.533 2.378 30 10 IEEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)[C@H](CC#N)c3ccccc3)cc2)CC1 1538127418 KVGSZJYRZGNVRE-HXUWFJFHSA-N 441.509 2.007 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1C 1538982374 FBNYHJVKDUWCBC-ZIFCJYIRSA-N 445.589 2.326 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(Sc3ccccc3)CC2)CC1 1539427339 BDOMLEHVASFBLF-UHFFFAOYSA-N 438.601 2.496 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2sc(C)nc2C)CC1 1539490708 ZOPPUFDSQCGDDJ-QGZVFWFLSA-N 428.562 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539626009 AKFCOKQZQKAUSY-GGPKGHCWSA-N 441.580 2.402 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1539650427 QUWDZHWENRHQOO-KRWDZBQOSA-N 447.609 2.334 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccs2)CC1 1539722663 QILMPYIIRUALHR-UHFFFAOYSA-N 445.593 2.280 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(C(N)=O)CCOCC2)CC1 1539840469 UFTXNVMNPWDJFN-UHFFFAOYSA-N 441.532 2.401 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539917498 DYNQVCZUEZTUGG-KSZLIROESA-N 446.596 2.199 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1539967280 PTMKDEPMRSSSLX-BBWFWOEESA-N 443.639 2.298 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1540020271 RTDNZACQRFULMW-QGZVFWFLSA-N 446.577 2.450 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1540094641 ITEJFPYLFHWTAK-JOCHJYFZSA-N 426.521 2.016 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CC=CCC1 1540874452 HEXXQCGIHRZCKC-MRXNPFEDSA-N 428.562 2.364 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540916070 SEQNMTJOMRSYJC-ZWKOTPCHSA-N 435.594 2.267 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)c1 1541079944 AOMDTLCSFCTGIW-QOMWVZHYSA-N 438.513 2.461 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1541802996 BFGWKTRUSRPKSU-FUHWJXTLSA-N 426.521 2.436 30 10 IEEE Cc1ccoc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1542101697 DMBGTBHJNHAFEN-UHFFFAOYSA-N 440.529 2.285 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O 1545251151 BNQVWYVWUDEJGA-IERDGZPVSA-N 433.578 2.485 30 10 IEEE CO[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C 1554644492 HTDCPDCOUWXGGB-IBGZPJMESA-N 447.547 2.389 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cc(C)ccc1OC 1555668234 HJHCHCMWJURSQD-MJGOQNOKSA-N 429.521 2.291 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2csc(I)n2)C1 1556132579 OVVBWFPSCNPRKD-IUCAKERBSA-N 448.286 2.237 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1557125319 DVFXVICULFCAMO-GOSISDBHSA-N 438.569 2.269 30 10 IEEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CC[C@@](C)(C#N)C2)cc1 1557619380 ASCFKUQBXKXMQX-MJGOQNOKSA-N 425.576 2.247 30 10 IEEE N#Cc1cccc([C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(F)(F)F)c1 1558064530 WCTJXCLETIXBFI-KRWDZBQOSA-N 436.415 2.407 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3ncc(C(=O)OC)s3)CC2)c1 1561763208 ZCYCHNFBCNDCIP-UHFFFAOYSA-N 449.554 2.414 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)CC1 1568995380 QQAMTYSKORDARO-KRWDZBQOSA-N 429.473 2.364 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1570418108 GGCFGEFURODSEE-IAGOWNOFSA-N 428.558 2.347 30 10 IEEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccc(N2CCOCC2)cc1 1586062035 URHKBYVSANOFEJ-UHFFFAOYSA-N 442.541 2.300 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1587662285 MIZWUPFYULFYNW-WMZHIEFXSA-N 447.587 2.213 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588054618 OLCLQQSCAAUUQO-LJQANCHMSA-N 447.605 2.011 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)Cc2ccccc2)CC1 1588914063 UUZFUKOUPCUXRJ-UHFFFAOYSA-N 445.571 2.371 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)CCC(C)C)CC1 1588930398 VEHLSNNCFYAMLJ-RDPSFJRHSA-N 445.608 2.325 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1589134487 LGTISPMTROKREQ-JOCHJYFZSA-N 430.553 2.373 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](F)COC 1595100812 UFCYUCJZGPMZPJ-MOPGFXCFSA-N 447.536 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)CC1CC(F)(F)C1 1595812222 PTJVQLOOCXYVQL-UHFFFAOYSA-N 425.505 2.346 30 10 IEEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1608132756 CWODPFXGJLYUAI-UHFFFAOYSA-N 433.516 2.257 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F 1608191274 FFHRYESENRRMNX-BHWVZIDZSA-N 431.798 2.123 30 10 IEEE C=CC1(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)CN(C(=O)OC(C)(C)C)C1 1611129164 NOTIEVLGQZDLMX-OAQYLSRUSA-N 428.489 2.298 30 10 IEEE CCN(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)c1ccco1 1615372529 DSZSFRZXHXSVKO-RCCFBDPRSA-N 448.593 2.452 30 10 IEEE N#CCCn1cc(C(=O)N[C@H]2CCOC23CCOCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 1616928728 BMZHNORBKQEUGK-SFHVURJKSA-N 425.445 2.440 30 10 IEEE N#Cc1ccc(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1617464955 BVAWTDFAOWIJNV-FQEVSTJZSA-N 442.497 2.369 30 10 IEEE C=CC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1618573361 MYQYYFDYAWBWSD-MSOLQXFVSA-N 433.574 2.495 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1nncn1-c1ccccc1 1619913334 ZXIQMHZAQGZQIB-GOSISDBHSA-N 436.520 2.168 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 1624017872 CLMSJFZWGQGMAH-KKSFZXQISA-N 427.526 2.025 30 10 IEEE Cn1c(=O)n(C)c2cc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)c(O)cc21 1625592103 ZNODFJDFYJFYRY-UHFFFAOYSA-N 428.489 2.172 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1626424836 OQEAXQVQMJCILC-LJQANCHMSA-N 440.422 2.416 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)C#Cc3cccs3)cc2)CC1 1626661927 IFNSFXMDOKTNEA-UHFFFAOYSA-N 425.554 2.001 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)c1 1635453273 MVAMHNDXZSCLMZ-AWEZNQCLSA-N 426.498 2.062 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn2c1CCCC2 1635857800 PBNIIMOHCLUEGU-QGZVFWFLSA-N 429.546 2.133 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCC(=O)c1ccc(I)cc1 1635949418 YFTZHUHSTNTCPR-UHFFFAOYSA-N 428.226 2.169 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c(OC)c1 1639962644 PEMOMHMGPSVWKX-NHCUHLMSSA-N 437.496 2.372 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 1640196414 YYWXCBZMOCXIHD-SVFBPWRDSA-N 440.544 2.060 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1 1640319543 VXGNEYLFGLMTNJ-AWEZNQCLSA-N 428.880 2.211 30 10 IEEE COC[C@@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1642120094 FLYUOGZZYGKTJG-HSZRJFAPSA-N 442.516 2.471 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)[C@@H]1CCC[C@@H]1C#N 1642537521 WHWPECCWUVXECC-IEBWSBKVSA-N 447.557 2.399 30 10 IEEE CC[C@](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)(C(=O)OC)c1ccccc1 1642547381 CUQQIDIHBGPNHG-JOCHJYFZSA-N 443.525 2.129 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)C2)c(=O)nc1O 1648028775 NNDSYFFCXRLPPG-UHFFFAOYSA-N 431.239 2.010 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3cccnc3SCc3ccc(F)cc3)C2)c(=O)nc1O 1648028826 PJVAQZDELMRPQJ-UHFFFAOYSA-N 437.456 2.344 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(Br)c(Br)[nH]1 1648643645 GQVURZDNTYQFLR-UHFFFAOYSA-N 444.087 2.223 30 10 IEEE CN(CCC#N)C(=O)CCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1655599166 LEUZKSJRHUPKAE-PMACEKPBSA-N 433.597 2.297 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)n(C)c1 1662793981 PFFSEYVOTUCAMH-LJQANCHMSA-N 434.514 2.163 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OCC 1663385662 YTALOLBLMVOXPD-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)cc1 1674945709 IXXYWHHGBYBAFN-XMMPIXPASA-N 448.571 2.072 30 10 IEEE CC(C)(CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)CS(C)(=O)=O 1684005981 KIZNICOFGGAARQ-UHFFFAOYSA-N 429.546 2.009 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1689930754 YXXCHUWXLJQDQK-HKUYNNGSSA-N 435.594 2.026 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1689971939 BGATWUWQADNVKQ-HXUWFJFHSA-N 437.548 2.184 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1690075920 XTCPXIWLUYKECS-ZWKOTPCHSA-N 433.553 2.268 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1690077275 LTKPJECFMUVKLE-IEBWSBKVSA-N 433.553 2.082 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690155553 LHEPZPGWQUVVCN-HDICACEKSA-N 427.530 2.075 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C[C@@H]1CCCO1 1690163820 RVLMBYZOIJFOPK-IBGZPJMESA-N 438.561 2.293 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 1690464473 CBFIOASETZUGCX-KURKYZTESA-N 425.599 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1690723109 IHOVRPBFLABJPF-UHFFFAOYSA-N 449.552 2.231 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690733884 PXALUJFSLGLAMG-DOTOQJQBSA-N 434.610 2.173 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1692852817 HSNWHVZEZMHCOU-IBGZPJMESA-N 449.559 2.213 30 10 IEEE CN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1696708167 QZGWKEIKORLEHS-QZQOTICOSA-N 449.540 2.488 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1696995869 GEMZYJGORIPSPX-XMSQKQJNSA-N 440.548 2.362 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(Cn2ccnc2)c1 1705574545 GSMSARXMRHVGDU-RUZDIDTESA-N 444.539 2.296 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1705622614 NJASEQZSFAMBHB-CVDCTZTESA-N 442.564 2.099 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)N1CCOCC1 1705626302 QIFVPJAWXNKILT-LJQANCHMSA-N 440.573 2.494 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCNC(=O)OC(C)(C)C)CC1 1705648213 SAGUKZBXNOICIK-UHFFFAOYSA-N 444.580 2.426 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](COC)C1 1705656675 FRSCZNCEDAKRAG-QGZVFWFLSA-N 432.546 2.180 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1705713206 WUWSDIYSRPYVTI-GOSISDBHSA-N 447.605 2.472 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705749991 OJFQYILSTWRMTD-UHFFFAOYSA-N 447.927 2.252 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705760605 NHNHAMGCTNEXIK-HXUWFJFHSA-N 433.944 2.188 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2F)CC1 1705782063 NVLXYTBLFVUSEN-LJQANCHMSA-N 449.552 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705898809 YKSSUSONSZZRKG-HNNXBMFYSA-N 447.927 2.011 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCN(C)C1 1706068257 HFNVEFIZZXTXQD-KUHUBIRLSA-N 433.354 2.370 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1706068276 HLXDONLLTQJUAJ-IAGOWNOFSA-N 446.577 2.218 30 10 IEEE CC(C)N(CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1706563537 RYIXEJZDYCEWJE-KRWDZBQOSA-N 443.552 2.243 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1709211227 KJNAIWQACDJUNM-ILYIUGIZSA-N 435.532 2.415 30 10 IEEE CSc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)ccn1 1712765173 HOPZEUVDLMVJOH-AWEZNQCLSA-N 449.606 2.184 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCc1cnccn1 1722312226 ZDYVEFFLNGNMIT-UHFFFAOYSA-N 428.504 2.193 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722342995 BEJVWKKGXYNFHV-LPHOPBHVSA-N 429.487 2.272 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)NC(C)C)CC1 1722442481 SWFSXUZPTQLQEB-UHFFFAOYSA-N 438.576 2.144 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1722691852 AZPBITSAIOWWKR-UHFFFAOYSA-N 434.903 2.245 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1722702453 KPFIDJJBJMPUPE-IJEWVQPXSA-N 445.486 2.266 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1723678524 RTVCHZUAZGXPKB-YADHBBJMSA-N 433.553 2.254 30 10 IEEE C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1723850844 HHXLLFGOXLZUPF-KRWDZBQOSA-N 436.589 2.474 30 10 IEEE C[C@@H]1CCC[C@](Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)(N(C)C)C1 1726516529 BVGPEQVLGHVXBK-WTNAPCKOSA-N 431.560 2.353 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C[C@@H](C)O1 1726667524 XCXXUJIXRPFOOQ-HZPDHXFCSA-N 429.546 2.255 30 10 IEEE CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1727159850 DGYWAWWKJOMNEB-PXNSSMCTSA-N 426.569 2.468 30 10 IEEE CCn1cccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)c1=O 1728540244 AGEUVDYFPKSCHE-UHFFFAOYSA-N 428.500 2.417 30 10 IEEE CCN1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1728583830 HVXSNCLXJAYKKP-RBUKOAKNSA-N 425.493 2.456 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)C[C@H]1O 1729782396 DRTNBYHCZNPXAO-QRVBRYPASA-N 441.532 2.238 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)cc1OC 1730044670 AHRDESKMPRVOML-HUUCEWRRSA-N 433.534 2.135 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730415406 RGLYBDNIQNZODV-HNAYVOBHSA-N 426.521 2.063 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)nc1 1740547480 VSRDTGHAEROZRV-HNNXBMFYSA-N 439.545 2.148 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCCC 1740548484 BAXAIMNSHNMMKD-INIZCTEOSA-N 432.569 2.377 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1740580606 DNJWGFCJCPMEBN-UHFFFAOYSA-N 442.951 2.334 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 1740616793 GZUAGEAXHJGKNI-SFHVURJKSA-N 444.557 2.238 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1740627090 XZSNPUXVKLFFPI-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(CC)C(C)C)CC1 1740697499 GXOQHSDKXCQEQW-UHFFFAOYSA-N 425.537 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740758312 WDMBUBHPNPQBET-HGGLOCSQSA-N 444.580 2.094 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740786315 YXWMNUQEHRSKQH-IXDOHACOSA-N 449.552 2.286 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740956153 IDEUHMUPWYVMMK-SFHVURJKSA-N 437.504 2.079 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1748697475 JSEFIQDKMDGGNA-UHFFFAOYSA-N 443.621 2.321 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1748822069 XAGWADAXVNMIFO-SFHVURJKSA-N 448.568 2.049 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1749565695 PKGMLOXFEAXHJS-LSDHQDQOSA-N 448.483 2.379 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749607279 XYEYPYNEQDEGSA-WMZHIEFXSA-N 435.532 2.332 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1749939919 YODYXPHWHRFBMM-JKSBSHDWSA-N 445.520 2.289 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1750084062 JRCVUJGLAWNRRD-RTBURBONSA-N 441.488 2.374 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC[C@@H](F)C1 1750954775 YDJPWTCNXOBONL-XJKSGUPXSA-N 427.484 2.089 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760280899 NIFVPTKIQUIALV-MOPGFXCFSA-N 430.578 2.296 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cncn2)CC1 1760394056 VWENYIGBIWSYCO-CALCHBBNSA-N 428.541 2.497 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)C1 1760545565 WQTWYJMAYARMKR-MSOLQXFVSA-N 431.562 2.397 30 10 IEEE C=CCSCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1760568799 SWKFAPSLTZTXSJ-WMQCIHAUSA-N 438.594 2.234 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(N(C)C)CCOCC2)CCOC1 1761287957 YUECZCBZPQUNOI-HSZRJFAPSA-N 446.596 2.169 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1761772990 PQGFIETYOBSQGE-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1764409960 BWPQFCNXWKEMED-NRFANRHFSA-N 437.592 2.317 30 10 IEEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764751775 HYOAPNZJZGAPIT-QURGRASLSA-N 431.500 2.408 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1765590689 NAOPUTXIHIJONT-IBGZPJMESA-N 447.547 2.412 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 1765870438 DPQCJGJANSDPJR-QFIPXVFZSA-N 432.569 2.365 30 10 IEEE CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1766719219 FDXKDCSSXJTHDK-OAHLLOKOSA-N 428.518 2.428 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@H]1CCOC1 1768659570 FIFLHIASALNPFW-WOJBJXKFSA-N 438.532 2.180 30 10 IEEE COC(OC)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1769691078 WFKJZFUBRUDPMM-MOPGFXCFSA-N 427.505 2.241 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1770803321 SXBSVTFTNRCOKF-CECAUBDESA-N 445.495 2.097 30 10 IEEE COCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1771274140 PNQTVGNEVQPJFL-UHFFFAOYSA-N 435.532 2.145 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1Cl 1771304894 NCCXRBXVMMQLOP-BXWFABGCSA-N 447.923 2.463 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1772566731 LJJWNOIRZPYGGI-INIZCTEOSA-N 442.568 2.067 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1)[C@H]1CCN(C)C1=O 1850379595 LRQDODXBUMBYMJ-PXNSSMCTSA-N 436.560 2.070 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1)CC(F)(F)F 1852163966 OJMPCODDMLNFGX-ZDUSSCGKSA-N 430.383 2.416 30 10 IEEE N#CC1CCN(C2CCN(C(=O)CS(=O)(=O)c3ncc(Cl)cc3Cl)CC2)CC1 1852181795 LDHKYCLKJBPSRS-UHFFFAOYSA-N 445.372 2.389 30 10 IEEE COCCN1C[C@@H](C(=O)Nc2ncc(C#N)c(-c3ccc(Br)cc3)n2)CC1=O 1852427460 KFOFMBIMNBWKOP-ZDUSSCGKSA-N 444.289 2.211 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2csc3c2CCOC3)C1=O 1854224868 OPYYVBLCCITATL-QZTJIDSGSA-N 431.558 2.061 30 10 IEEE N#CCC(=O)N1C[C@H](CN2CCN(c3nc4c(F)cc(F)cc4s3)CC2)CCC1=O 1855910914 QIDURYFLPOUWHK-ZDUSSCGKSA-N 433.484 2.375 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(CC)nn2CC 1864326398 BHIUCPXRYVOAME-GOSISDBHSA-N 426.517 2.223 30 10 IEEE C=CCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1 1871571013 BBOWJCPXOMIATR-UHFFFAOYSA-N 434.344 2.275 30 10 IEEE COc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)cc1O 1874353543 OQCOMASKMQQQKH-LSHDLFTRSA-N 427.486 2.169 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2nc3nccnc3cc2Br)C1 1891473899 BKJCTYJIIHMWKU-NSHDSACASA-N 440.261 2.133 30 10 IEEE CC(C)(C#CC(=O)Nc1nccnc1I)NC(=O)OC(C)(C)C 1993949511 FUIDRASUFYSOBE-UHFFFAOYSA-N 430.246 2.326 30 10 IEEE COC(=O)[C@@H](CC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2010402364 PXNGFVIXQIEVIM-JXQTWKCFSA-N 426.319 2.184 30 10 IEEE CC(=O)Nc1cccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2[C@@H]2COC(C)(C)O2)c1 2033814373 RWXMRFUNGPVHNH-ZFWWWQNUSA-N 444.469 2.058 30 10 IEEE CC[C@H](C#N)N1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2060826078 PQLAIXFLGNHGPM-NHCUHLMSSA-N 443.592 2.458 30 10 IEEE CN(Cc1nn(C)nc1Br)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2226989681 SWAQOZXCERMURY-LLVKDONJSA-N 429.319 2.123 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387490 VEYWJLUNPXHPDU-GFCCVEGCSA-N 425.360 2.333 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2247281680 NKMFSAWWSJHATK-UHFFFAOYSA-N 425.310 2.473 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247922328 GIEPQHRVLTVPGL-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE CC(C)(C)OC(=O)NCCONC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2255541996 LKYDZUOIULKXJD-UHFFFAOYSA-N 442.268 2.450 30 10 IEEE Cc1cnc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255622335 YIGHYYOXYJBBRG-UHFFFAOYSA-N 431.342 2.475 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255649591 VBDCEOYXDGGIPC-AWEZNQCLSA-N 436.362 2.047 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2255820761 AXMJGISRUVCGRR-JKSUJKDBSA-N 431.342 2.475 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)n1 2255832873 SUQRLJCGLGWNKY-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE Cc1nc(NC(=O)[C@H]2[C@@H](C)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256594671 BHYYMBHHGSRZSZ-SWLSCSKDSA-N 432.330 2.278 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C#CCNC(=O)OC(C)(C)C 2256623766 SMVCIVJMYKUQQB-UHFFFAOYSA-N 430.310 2.461 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2256674933 NJABYOQZYIKDMB-OAHLLOKOSA-N 434.342 2.366 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2267002178 VXYHUPHBCHVIBS-OAHLLOKOSA-N 445.325 2.472 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267185772 AGSWRDMNMSSNSX-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1cccc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2267232925 AJBRNFYAYHLTOV-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267522271 WBBQPGYQKVAPQF-YCPHGPKFSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268708728 FPIAFDCSFJSVHD-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278809677 PCDMABIJKGBIHI-MAUKXSAKSA-N 443.363 2.210 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)N[C@H](CO)C(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2O 2297639229 DZPROHKVTKFBQP-FRTLKMCASA-N 448.560 2.244 30 10 IEEE CCn1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2319263248 DRZDUSVMZPUAMG-HNNXBMFYSA-N 427.310 2.318 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1)Nc1ccc2c(c1)OCCO2 20457368 GIYMOZHHAYROKQ-KEBDBYFISA-N 426.458 2.458 30 10 IEEE COc1ccc(/N=C2\S[C@H](C(N)=O)CC(=O)N2CCc2ccc3c(c2)OCO3)cc1 58942291 JIZDPRAZTOXJQE-NKWDDMGQSA-N 427.482 2.474 30 10 IEEE CCOC(=O)O[C@@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](/N=C\N3CCCCCC3)[C@H]2SC1(C)C 118056111 XHKFBADIZIDYBU-ZADPOMOYSA-N 441.550 2.384 30 10 IEEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(CCCN(C)C)C2)nc2ccccc12 170574600 FGIKHNKJURBDOK-QGZVFWFLSA-N 445.527 2.339 30 10 IEEE CCO[C@H]1C[C@@](NS(=O)(=O)c2cc(Br)cc(C#N)c2)(C(=O)OC)C1(C)C 444276319 HCDVSANNCPSLRZ-WMLDXEAASA-N 445.335 2.346 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C3CC3)c2=O)c1 446134143 BBPJOBAQXUUCBE-UHFFFAOYSA-N 435.480 2.482 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO2)CC1 461153257 HGHVSJGPNAVVRJ-HXUWFJFHSA-N 449.559 2.281 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 481912234 JQEJIBWIISAHDX-XAUMDUMWSA-N 446.598 2.486 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCSC3)C2=O)cc1 504691946 ZADVFFBKFSBZIV-CEXWTWQISA-N 442.541 2.276 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2C)cc1 508427466 OGNKJEUNNMGDHP-UHFFFAOYSA-N 436.541 2.427 30 10 IEEE CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1nnc2ccccn12 522360150 OSZWNLDHHVXAQA-SFHVURJKSA-N 426.502 2.048 30 10 IEEE N#Cc1cccc(CC(=O)NC[C@@H](O)COc2ccc(I)cc2)c1 531157374 VFNATIRGRKIIQZ-MRXNPFEDSA-N 436.249 2.261 30 10 IEEE CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537247477 FJNAVTPSCAVQEO-UYAOXDASSA-N 445.633 2.330 30 10 IEEE CC[C@@H](C)[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 544832452 GBUCRFRNYLFUQG-IIBYNOLFSA-N 431.496 2.313 30 10 IEEE COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)CC2(C#N)CCCC2)cc1 545386060 BJMJZBMZXFVVFF-QGZVFWFLSA-N 426.560 2.098 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CCC(C)C)n3C[C@H]3CCCO3)CC2)c1C#N 559125257 PUUJUQZXKOFMDT-GOSISDBHSA-N 426.569 2.286 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 564381269 TZYCXARZFYUKQV-UHOSZYNNSA-N 431.562 2.179 30 10 IEEE CNC(=O)CCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 567758700 UUEKCEGEYYDQPV-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE C=CCn1c(Cc2noc(-c3cc(Cc4ccccc4)[nH]n3)n2)nnc1N1CCOCC1 580496121 AKCHSAFUMMRKQY-UHFFFAOYSA-N 432.488 2.255 30 10 IEEE COc1cc(CNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)ccc1C#N 589612011 WLCCWBDRSLCDBZ-UHFFFAOYSA-N 427.549 2.091 30 10 IEEE C#CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@@H]1CCS(=O)(=O)C1 729332311 MQNPPTBCZYZVAS-MRXNPFEDSA-N 425.432 2.462 30 10 IEEE C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669159 JYAHQNWQAIOAIZ-KXBFYZLASA-N 447.564 2.090 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1-c1ccc(OC(C)C)cc1 731410924 XDYUVTCOYNQFNZ-UHFFFAOYSA-N 439.497 2.494 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CCN1C1CC1 732665380 ZKZZXVKTWLLBGY-GOSISDBHSA-N 444.582 2.081 30 10 IEEE CCOC(=O)c1ccc(N2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)nc1 739839927 XHWOGNMIEABUMV-UHFFFAOYSA-N 431.500 2.477 30 10 IEEE CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NCc1ccc(C#N)cc1 746534770 XJVNNHLEFBIBEQ-FQEVSTJZSA-N 429.423 2.450 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 748395450 NWSXZKHCSBXQKB-UHFFFAOYSA-N 448.523 2.423 30 10 IEEE C#CCN(CC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C)[C@@H]1CCS(=O)(=O)C1 749842668 UZRAVEXIHGDMFE-LJQANCHMSA-N 442.537 2.170 30 10 IEEE Cc1ccccc1Cc1nc(COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)no1 751648429 QJGDOSMMICGVRA-UHFFFAOYSA-N 425.466 2.499 30 10 IEEE CO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)C1(C)C 753356999 DARXGJCNMIAKQM-OKZBNKHCSA-N 432.590 2.500 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc4c(c3)CC(=O)N4C)cc2C1=O 754896900 RVWWVNYGHAUXDS-CYBMUJFWSA-N 432.432 2.416 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC 757437816 LTSXGLYAWLTXHB-NRFANRHFSA-N 436.464 2.087 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C)n1 757599110 XETDHZYCNMMDSM-DOTOQJQBSA-N 425.493 2.076 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 757711846 URRKVBPIDNKRQG-KRWDZBQOSA-N 428.555 2.486 30 10 IEEE Cc1c(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnc(Cl)c1Br 760068195 FAWWNDTXWSBNCL-WYMLVPIESA-N 428.674 2.454 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C)c2)C1 760300147 BAOSUKIRESWTMP-QZTJIDSGSA-N 443.573 2.399 30 10 IEEE Cc1ccc(C(=O)CCCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 766238989 ZZROKLZCTOXHKQ-UHFFFAOYSA-N 438.484 2.408 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 769193289 VONFJPJHVVXOGJ-QGZVFWFLSA-N 426.521 2.059 30 10 IEEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 774210716 BRORIYAUCFWVAM-ROUUACIJSA-N 441.594 2.292 30 10 IEEE COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1ccc(C#N)c(F)c1 791302145 NXIBNAJAJJBSDZ-HSZRJFAPSA-N 437.427 2.366 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 793479379 GPVXSPJUKHRAQD-ZBJSNUHESA-N 425.391 2.452 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)=NO1 798945584 WEJIAAAMIDGWNI-OAHLLOKOSA-N 431.468 2.016 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)=NO1 798988028 OQFBAOBRAWZQRN-JCYILVPMSA-N 443.504 2.429 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H]2CCCO2)CCN1C1CC1 802685126 WAAPCTSTSGMWRP-VXKWHMMOSA-N 444.543 2.486 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Oc1ccc(C#N)cc1F 808574098 WYYQGVWGKWPZBE-UHFFFAOYSA-N 447.488 2.251 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 813650059 YJEJFHCRNPMYBV-WUKBZCGHSA-N 432.521 2.153 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 919161661 VVTQCUSWPBWJIP-OLZOCXBDSA-N 428.411 2.260 30 10 IEEE COc1ccc(C=NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)cc1OCC(N)=O 1116099771 IHADJYIGGNIDEA-UHFFFAOYSA-N 446.389 2.298 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)nn1 1128822233 HQKBUHDLHPTUSM-UHFFFAOYSA-N 429.452 2.314 30 10 IEEE O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CC(F)(F)C(F)(F)C1 1129756329 QGQPMUQQMRANMQ-UHFFFAOYSA-N 440.323 2.472 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OCC 1132934238 BUYQYJJGMYDYFO-JKSUJKDBSA-N 428.576 2.471 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1136544819 GLVXQGXYPZQYER-UHFFFAOYSA-N 446.523 2.498 30 10 IEEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 1140183210 LXYJNGVJKXBHBZ-VGMNTSGFSA-N 434.464 2.419 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)CC1 1175515061 QCJDNNXXKLXZRL-GFCCVEGCSA-N 436.386 2.086 30 10 IEEE C#CC1(O)CN(C(=O)c2cccc(NC(=O)c3ccccc3I)c2)C1 1179982620 OYXROBRNCUVPAW-UHFFFAOYSA-N 446.244 2.364 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)cc1 1198250572 GBRIMQXZXBRJFZ-INIZCTEOSA-N 447.517 2.366 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)C2(C#N)CCSCC2)c1 1271795345 BPERFLXLJCONDI-UHFFFAOYSA-N 446.392 2.189 30 10 IEEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C[C@@H]12 1279671365 USUUUVTXIZJJHF-HBMCJLEFSA-N 426.494 2.021 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397654 UAFHEEVSPDVOER-KZNAEPCWSA-N 444.557 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1286407439 VPQQKNITOIXSHU-SFHVURJKSA-N 425.537 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCC1 1286426137 LHGVDLKWZGXZIS-UHFFFAOYSA-N 430.512 2.053 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286549726 BHFVSSCWYDKPHP-OXJNMPFZSA-N 426.521 2.109 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)OC)C1 1286550233 ZEJOHLDHPISBOJ-ILXRZTDVSA-N 443.342 2.300 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)C1 1286801360 XZNLIQLSVVXSSO-HOTGVXAUSA-N 438.525 2.383 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1286834190 CKZLWAKCIXYHIP-IBGZPJMESA-N 442.593 2.161 30 10 IEEE Cc1noc(C)c1[C@H](C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1290911136 PGKKSEOQGLYODS-YBOAYWMSSA-N 444.536 2.456 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1297013030 CRBFMEZGBSXKKH-GOSISDBHSA-N 440.548 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1300307384 FSCWJOICRFYZAQ-NVXWUHKLSA-N 442.520 2.011 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1300486998 CWHANHURPNJJPQ-KRWDZBQOSA-N 442.570 2.056 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC[C@H]1C 1300574443 ARDHFYBJNSWLPY-OAQYLSRUSA-N 443.555 2.314 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300601821 KYCZQAOXXQLTFU-IRXDYDNUSA-N 449.552 2.298 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(C)s1 1300648375 MYRAILZBXMKMGM-MRXNPFEDSA-N 425.493 2.216 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC 1300666280 ZXKFFNYXIVBFGH-UHFFFAOYSA-N 432.484 2.363 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCC2)CC1 1300690761 IOKAXNJVXKTJTO-UHFFFAOYSA-N 441.967 2.151 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCCO[C@@H](C)C2)CC1 1300692485 HBWMSROICIHFSA-FQEVSTJZSA-N 440.567 2.340 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCCN(CC)C(=O)C1 1301530017 UUWHHASWCOTVIX-UHFFFAOYSA-N 433.516 2.407 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CCC)CC2)C1 1301534428 ANPZWQBHNVGVKJ-FQEVSTJZSA-N 430.597 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1301578429 ALJGGAMQWFBIEV-OAHLLOKOSA-N 438.504 2.208 30 10 IEEE C#CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)C1 1304595997 HWNWDTAZAZPDLE-UHFFFAOYSA-N 441.328 2.132 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1304668355 CVTBZZRBKCAMCY-ATQAJOFPSA-N 441.561 2.397 30 10 IEEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1305060362 VZWNKRKFGDVGLX-XGNMISCSSA-N 447.499 2.244 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1306533416 GWGWKZXNVXVUFT-KSFYIVLOSA-N 435.536 2.201 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1307958999 JTGAZWORHZCNAB-CVEARBPZSA-N 449.518 2.066 30 10 IEEE C#C[C@@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CCOCC1 1309700954 GPKKOXSTRJQLBK-PZJWPPBQSA-N 434.558 2.383 30 10 IEEE C=CCN(C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1311080413 NLYPYBADRKAYIE-AWEZNQCLSA-N 437.415 2.211 30 10 IEEE CN1CC[C@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N(CCC#N)CC2CC2)C1 1314929604 YIMLCQAOQVIXHM-JOCHJYFZSA-N 430.503 2.344 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2cccc(F)c2F)c1=O 1327854903 MIUCQUCLSOZJKZ-UHFFFAOYSA-N 440.475 2.091 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(c3ccc(C)cc3)=NO2)c1 1351602419 WWZXZTRHWSLHKI-QHCPKHFHSA-N 431.492 2.361 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCn2ccnn2)c1 1358901687 SYFMTDFFDFHTRR-UHFFFAOYSA-N 443.515 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(COC)CCOCC1 1358974058 PPVACGPNLNIRGH-UHFFFAOYSA-N 438.528 2.478 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1359007767 VALGCTYLWABGME-SFHVURJKSA-N 449.559 2.410 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359061233 WBMTZTHPISULHW-PXNSSMCTSA-N 441.557 2.335 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1359070795 UZPMWQJNSTYPGK-KSFYIVLOSA-N 444.557 2.238 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1359070846 WMPFHCXEBPTJAU-JZJXAQOMSA-N 433.622 2.293 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359080898 HZKUCDNVNGVXEL-MRXNPFEDSA-N 449.353 2.020 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359086109 KSAKPKYHOJDVTB-ZDUSSCGKSA-N 431.381 2.462 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359164231 JDZQJCSCCRFANU-GOSISDBHSA-N 426.496 2.263 30 10 IEEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359205063 KJFJEBFXHSSFPS-QGZVFWFLSA-N 443.577 2.463 30 10 IEEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1360535553 FGZKMURLJVNBMZ-IIBYNOLFSA-N 430.578 2.429 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1)c1cc[nH]n1 1449532922 PDAJSGRKBWUPTK-SFHVURJKSA-N 443.287 2.024 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1456342599 CYRMNAPKZUQTPR-OPAMFIHVSA-N 432.496 2.012 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCSc2ncnc3[nH]cnc23)CC1 1463791964 BGSPNJDZTRCVQR-MRXNPFEDSA-N 425.493 2.383 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)C(=O)OC 1467514931 CCZOYSGWCZNADA-QKLQHJQFSA-N 432.517 2.329 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 1470544315 HSCXQCHDHZBFAS-IXDOHACOSA-N 443.552 2.262 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC3(COC)CC3)nnc12 1472582861 RKINWNOYBJYVTM-UHFFFAOYSA-N 427.530 2.255 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1475629801 YIRDVRAFHKPKOX-RTBURBONSA-N 438.546 2.462 30 10 IEEE C#C[C@@H](CO)NC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1476079842 QTSLNFIVFMERKI-FUHWJXTLSA-N 431.489 2.359 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCCOC1 1478476051 HMBRVXVKUBGGRI-IRZJEQJZSA-N 430.505 2.302 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1503233039 MDLGUFHGLDSCDG-UHFFFAOYSA-N 426.502 2.257 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1504812656 GDGRUTCVTOVVPN-FQEVSTJZSA-N 440.548 2.174 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccccc1F 1507549082 YJMYYJLWZBGQFH-GJYPPUQNSA-N 429.496 2.029 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507710560 HYORDGLSSCTRMI-GFCCVEGCSA-N 446.861 2.322 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1507759186 CJDSGCGNIQTBDD-SLGOVJDISA-N 439.585 2.433 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCn1cccn1 1507810073 ZDZALLCNLPQFKJ-MUGJNUQGSA-N 430.553 2.316 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC)c1ccccc1 1507924945 VWTYWAKOIGNNIF-RBUKOAKNSA-N 445.589 2.112 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1508080281 NDSMBOZVFSSITH-GOSISDBHSA-N 428.443 2.432 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CC)C1 1508122493 JFFYUHMINFAPLG-XXBNENTESA-N 441.580 2.394 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1508124005 NVXOUIUWZCODQE-FUHWJXTLSA-N 428.512 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]2CC[C@@H]21 1508144535 UPEXIPBKBWBNMM-CVEARBPZSA-N 449.602 2.249 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1508399061 CFRSATDWWYBUDP-NRFANRHFSA-N 448.531 2.330 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508703962 FUXRIKPIYVLFAH-HKBQPEDESA-N 439.545 2.355 30 10 IEEE Cc1nnc(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)s1 1511733142 CZDJDCLSEPBYRF-CYBMUJFWSA-N 425.522 2.457 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1517182993 RTAYILGEVCPLDV-DLBZAZTESA-N 441.923 2.380 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1518684940 QUBZXBKQWHAHRH-SFHVURJKSA-N 425.537 2.048 30 10 IEEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1518837926 GZFBYJQAFIIKBH-INIZCTEOSA-N 432.475 2.451 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1537881272 BOYUPZMGSBTWNE-XXBNENTESA-N 428.533 2.249 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1538961479 AWMLGSFOSDGNIQ-TZIWHRDSSA-N 438.576 2.256 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN(CCC)C(=O)OC(C)(C)C 1539232053 YYRCQQMFEBFRGL-UHFFFAOYSA-N 442.564 2.234 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ncnn1C(C)(C)C 1539246715 WJFRELKTRUPKBW-UHFFFAOYSA-N 433.516 2.430 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(F)cc1 1539266418 QIZBHCKRIVZBFX-KRWDZBQOSA-N 428.533 2.370 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1([S@@](C)=O)CC1 1539392168 MTIVRJGRWDXMPZ-WJOKGBTCSA-N 443.548 2.091 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1539518277 XBSPCNAKTXKBKH-GOSISDBHSA-N 442.589 2.269 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](NC(C)=O)C1 1539614664 BBGMYIYEBRQELC-RLLQIKCJSA-N 446.596 2.283 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC(C)C)CC1 1539626661 FYIAQIGINUKORR-PZJWPPBQSA-N 443.596 2.207 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539637856 UAWKVNJASDIRPV-POAQFYNOSA-N 433.578 2.114 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539669169 MNTCHHKZJGRBCP-CQSZACIVSA-N 425.580 2.234 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1540880719 ORCSTWZQCGUSMK-AEFFLSMTSA-N 434.562 2.264 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnccn1 1540900519 YFNPSADTSNXDEN-UHFFFAOYSA-N 433.925 2.021 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1546857686 VSFKIBVFEPQZRV-BXKMTCNYSA-N 449.559 2.228 30 10 IEEE COC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1554572620 HFIUGESMHGKJMI-UHFFFAOYSA-N 435.536 2.005 30 10 IEEE CSCCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555910636 FBGXCSSSAMEHDI-ROUUACIJSA-N 431.610 2.329 30 10 IEEE Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 1556782812 SWNLIYHZDSJXPZ-CJNGLKHVSA-N 438.322 2.106 30 10 IEEE C#CCCOc1ccc(C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)cc1 1556855478 DXAPAALFCWBTBV-UHFFFAOYSA-N 433.508 2.389 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C 1557112841 NURRXPVOIDVCLP-RVKKMQEKSA-N 435.546 2.194 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 1570527845 HWXWIUATNJDLRF-IRXDYDNUSA-N 435.546 2.020 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 1583811271 AVZOPGBMOQALTB-QGZVFWFLSA-N 441.431 2.047 30 10 IEEE Cc1cc(C)c2c(-n3cccc3)c(C(=O)NCCn3cc(C#N)c(O)nc3=O)sc2n1 1585292075 BQJLMDDSKUAQCD-UHFFFAOYSA-N 434.481 2.268 30 10 IEEE C#CC[C@]1(C(=O)N[C@H](Cc2ccncc2)C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1585854013 JFQNKZQSWUAYAR-WZONZLPQSA-N 429.517 2.465 30 10 IEEE CC(C)(C)OC(=O)C1(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCOCC1 1586987766 ZLTJXDIPCJOBDB-UHFFFAOYSA-N 436.530 2.385 30 10 IEEE C=CC(C)(C)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1587318756 JGFVAKVRBMUUJD-UHFFFAOYSA-N 448.589 2.338 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCC1CCN(CC(F)(F)F)CC1 1588006796 QMCNHKJXRLIJJI-UHFFFAOYSA-N 426.487 2.134 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CC(F)(F)C1 1588123989 ASVSKFBYTMGSQE-UHFFFAOYSA-N 432.500 2.356 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1589060757 YGTADQSJXQCQAX-IBGZPJMESA-N 442.564 2.057 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595545030 PVVYOHWOUGIFKJ-UHFFFAOYSA-N 442.486 2.133 30 10 IEEE CC(C)(C)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1596919682 VTJQVXJUVPXVKN-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE CN(CCNC(=O)C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1)Cc1ccccc1 1620576255 QHAGUJDVFVHAED-UHFFFAOYSA-N 447.535 2.254 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2(CC(=O)OCC)CCOCC2)cc1 1622886955 ZEPVMHXBGDGDGD-UHFFFAOYSA-N 439.534 2.117 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@@H](CNC(N)=O)C1 1625715711 PPAXPHSWRPDPCO-QFBILLFUSA-N 441.532 2.299 30 10 IEEE C=CCn1cc(CNC(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)nn1 1630446160 WXATVWLFLGKXSZ-CYBMUJFWSA-N 448.321 2.011 30 10 IEEE CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1632610637 CXSDGKPKEPKLGZ-UGNPLGLKSA-N 425.485 2.068 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3nnc(C)o3)cc2)c1 1632893839 UKVCOUPCVOFSBQ-UHFFFAOYSA-N 426.454 2.121 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)C1=O 1635568826 VXEWOYWREJLSLQ-JLCFBVMHSA-N 428.489 2.373 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)s1 1636117604 KCHZSVXQCBZJIW-KRWDZBQOSA-N 435.571 2.091 30 10 IEEE COc1ccc(CN2CC[C@H]2C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc1 1638640263 BBDOETDCZMVDLK-KRWDZBQOSA-N 445.317 2.453 30 10 IEEE N#Cc1ccc(C2(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CCOCC2)cc1 1643523408 CLHPMXLJVSQAKF-UHFFFAOYSA-N 425.510 2.435 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(Cn2cc(Br)cn2)on1 1644587422 KZINQQJQQFGOJP-QGZVFWFLSA-N 430.262 2.359 30 10 IEEE N#Cc1csc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)n1 1652904089 PLSQDOSEFKOEDO-CYBMUJFWSA-N 440.934 2.055 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)N(CCO)C[C@H]2C)n(-c2ccc(F)cc2)c1C 1653938466 OZGLAXXJTRPVGE-HZPDHXFCSA-N 427.524 2.430 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccc3c(c2)CCS3(=O)=O)ccc1Br 1654541714 FGMDHBPOJPCCHK-UHFFFAOYSA-N 441.328 2.129 30 10 IEEE C=CCN(C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 1675137943 QXDBBFHXRGBTBR-LLVKDONJSA-N 433.408 2.243 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 1685003055 QOGAGHCBHAFLFE-OAHLLOKOSA-N 433.578 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCOC1=O 1690005170 UMABBGAZHKZTRI-UHFFFAOYSA-N 429.427 2.462 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1690020037 XMHZFOQHQPAPAS-QFIPXVFZSA-N 433.556 2.112 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN1CCOC(C)(C)C1 1690050940 HADQZXRUKQDURF-UHFFFAOYSA-N 426.590 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCN(CC)C2)CC1 1690148826 WMHZLVDNEDFWCR-NRFANRHFSA-N 448.615 2.485 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690347386 CQDHELQVCNFOTA-INIZCTEOSA-N 444.923 2.103 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@H](C)C1 1690351100 HVZIOWRBNSPQTO-OAHLLOKOSA-N 438.985 2.179 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1)c1ccccc1 1690442069 MBXSZICQYHVWLT-MOPGFXCFSA-N 438.532 2.417 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690451677 MVIVQOXUMMECHU-IAGOWNOFSA-N 435.598 2.362 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690502853 IENVQAUNPDGYJD-QZTJIDSGSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1690668657 DGJRCWATPGPCLG-MRXNPFEDSA-N 449.559 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690723365 PELZQCNZTIWPSZ-UHFFFAOYSA-N 437.610 2.278 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1705598713 PHYNXYWZOHOGEH-WOJBJXKFSA-N 437.569 2.158 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCN1CCc2ccccc2C1 1705629590 NMTHZHBDMLWXDS-UHFFFAOYSA-N 430.556 2.408 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2ccc(OC)c(OC)c2)CC1 1705639909 YXWVVMUNFIZIQB-HXUWFJFHSA-N 439.560 2.187 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1705800311 UDTSKQOWXGPIHR-SJLPKXTDSA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705831789 CWPCSTALZKZZLY-GOSISDBHSA-N 430.553 2.076 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)CN(CC)CC)CC2)cc1 1705910054 PWYCQDGTUMUJPU-UHFFFAOYSA-N 426.565 2.190 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC(C)C)C1 1705921384 QYWBCEPMGBKZKN-SFHVURJKSA-N 441.532 2.412 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711073916 MYQPRIQQGHRQIV-DQRAZIAOSA-N 431.500 2.265 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1N(C)CCCC1(C)C 1712451775 DXDAIGIEMGAECB-GOSISDBHSA-N 431.585 2.001 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCC[C@H](C)C2)CC1 1722445838 YMKHZQGLIBCBAE-IBGZPJMESA-N 435.576 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2c(C)coc2C)CC1 1722448364 ATPWGMPUOAGJSK-UHFFFAOYSA-N 432.528 2.488 30 10 IEEE C=C(C)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553136 DSQDKTMSIVWOKM-ZMPRRUGASA-N 430.553 2.341 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722617601 LHPNRIPVDSGQFV-KRWDZBQOSA-N 435.594 2.128 30 10 IEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1722647218 RFCAIRMDVIVQBF-QHCPKHFHSA-N 432.613 2.111 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1NC(=O)CC1(C)C 1722677784 FMIMOIOVAXUMGJ-IBGZPJMESA-N 441.532 2.270 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1740590577 IDDSIOPULOPXLS-ZWKOTPCHSA-N 435.594 2.183 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNS(C)(=O)=O 1740649039 MVELVDPKSSEPGO-LJQANCHMSA-N 443.573 2.047 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCCC2=O)CC1 1740691759 CIEFKKIGPFYUQZ-UHFFFAOYSA-N 441.967 2.151 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2cccc(C)c2)CC1 1740695936 HQNQQJVRHFHQBX-PZJWPPBQSA-N 441.601 2.048 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740710045 UZPLHQADFYGSHO-RTWAWAEBSA-N 448.681 2.389 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740718650 SVQQZJHAPQXSMS-SFHVURJKSA-N 439.585 2.172 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740767890 ARNLDLXEFFSTNA-HSZRJFAPSA-N 434.629 2.359 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740791312 BGHSESSQAWJOJJ-SFHVURJKSA-N 435.532 2.390 30 10 IEEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740881447 HFJGJUQPVSJAIS-MZKRTTBSSA-N 433.597 2.442 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C(C)C 1740937255 CWDDDYJLJVSAEU-UTKZUKDTSA-N 436.578 2.415 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCCC)CC1 1740963521 NRCAZUKRMKXYIA-IBGZPJMESA-N 429.569 2.227 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C[C@H](C)O1 1743320502 WBKNYTSTBZGBOF-IRXDYDNUSA-N 440.504 2.185 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1747707818 VCIZDTYCTSDSPE-OALUTQOASA-N 429.546 2.115 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CC=CCC2)CC1 1748994190 CJFDQEGBUPYJPR-UHFFFAOYSA-N 434.588 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(C3CC3)C2)CC1 1749014055 DDRMJNISQZBDGP-GOSISDBHSA-N 426.609 2.317 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749223422 TVWQQILGNSZWIX-HXUWFJFHSA-N 426.565 2.400 30 10 IEEE C=CCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440282 WKHAXKIBAVZOMP-OFNKIYASSA-N 433.597 2.443 30 10 IEEE CSCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1750337183 MJTYTGVRODEEHE-GHTZIAJQSA-N 434.610 2.248 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750980348 LJSDGHXWSKBWPP-UHFFFAOYSA-N 431.500 2.395 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@@H]1NC(=O)NC1=O 1760173409 UOKGBVJRGKJHCC-HIFRSBDPSA-N 426.546 2.189 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1760173661 BSTWKSCTRDZVIF-UHFFFAOYSA-N 447.561 2.426 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1760175884 UKEOUSPDDWMREE-UXHICEINSA-N 429.590 2.115 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760185044 OFQUSVKTFVMXDZ-FQEVSTJZSA-N 441.601 2.366 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1OCC[C@H]1C 1760193527 HWHCANNKIBOKLQ-VQIMIIECSA-N 425.920 2.359 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCCC2)nc1 1760201850 KNUWHIGHNSEHSI-HXUWFJFHSA-N 431.544 2.126 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCS(=O)(=O)C1 1760232415 DUDYURXXJPEUKV-INIZCTEOSA-N 425.514 2.494 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)c2cccc(C)c2)CC1 1760269801 PDZQFFQBYQUEGI-UHFFFAOYSA-N 448.571 2.250 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760306338 FTKXJEJCFASBSV-KFWWJZLASA-N 445.383 2.094 30 10 IEEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760452987 UICWHXIWDDQEQC-DENIHFKCSA-N 444.624 2.202 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1760490332 UYYXSUXOPOVNQL-XSDIEEQYSA-N 431.581 2.432 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)CC1 1760514903 OBNWYALBGMKBTO-UHFFFAOYSA-N 430.940 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1760555039 UWGAAUJTIRXHBU-LJQANCHMSA-N 436.553 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](OC)C(C)(C)C1 1760556498 FUDMIOLMMUSASD-IBGZPJMESA-N 448.589 2.340 30 10 IEEE CC1(C)CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1761555209 OLHVVRHGJMPBKA-IGGDJGDASA-N 428.537 2.325 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1(C)C 1763272487 ADOBQQZAWKVLGN-QQMNAOGKSA-N 441.532 2.272 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1764894562 AUNRQNBVTHEGMI-GOSISDBHSA-N 438.580 2.351 30 10 IEEE COc1cc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)cc(OC)c1OC 1768302006 FNYHWFPKRRHDRI-INIZCTEOSA-N 438.488 2.086 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCN(C)C1 1771109758 DBXIDXMUFKWUJH-OAQYLSRUSA-N 448.955 2.040 30 10 IEEE C=CCN(C(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1)[C@H]1CCN(C)C1=O 1850409501 BIXKWTXYGFCVNX-KRWDZBQOSA-N 449.515 2.474 30 10 IEEE Cc1ccc(-c2cc3n(n2)[C@@H](OC(=O)Cc2cc4c(cc2C#N)OCO4)CNC3=O)cc1 1852833090 ZOASXRRTIAMMDU-NRFANRHFSA-N 430.420 2.487 30 10 IEEE Cc1nc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c(C#N)c(C)c1Br 1852900000 VVVUORHBNXBBDM-UHFFFAOYSA-N 433.310 2.114 30 10 IEEE COc1ccc(C(N)=NOCCC(=O)N2CCCN(C(=O)c3ccc(C)cc3)CC2)cc1 1853553053 VEOZXXUFSHVSBT-UHFFFAOYSA-N 438.528 2.405 30 10 IEEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856544424 LNWPTYLYRMRFFO-UYAOXDASSA-N 437.606 2.140 30 10 IEEE Cc1cccc(OCC(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)c1 1857049773 XEIOWMLGRZUFKR-MRXNPFEDSA-N 427.482 2.243 30 10 IEEE C[C@]12CCC(=O)N1CCN2C[C@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1857445513 OMBXBMUWHALSBM-OPAMFIHVSA-N 428.920 2.439 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 1869929213 CCWNWBXPDDIQCY-SFHVURJKSA-N 444.532 2.382 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(N(CC)CC)cc3)C2)CC1 1872949165 REYJMRUFRXCXFC-IBGZPJMESA-N 426.561 2.427 30 10 IEEE C#CCO[C@H]1CCN(C(=O)C[C@@H]2Cn3c(nc4c(cnn4-c4cccc(C)c4)c3=O)S2)C1 1891717697 OGUGUCJFVFUXMO-ZWKOTPCHSA-N 449.536 2.006 30 10 IEEE CC(C)(C)OC(=O)NOCCC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060637828 PEWDLETXMZFOMQ-UHFFFAOYSA-N 434.342 2.491 30 10 IEEE COc1nc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)ncc1B1OC(C)(C)C(C)(C)O1 2131205264 FDEZOJOJMAKJOV-OALUTQOASA-N 436.365 2.495 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)ccc1F 2174787917 ZGVHENHEVUJBRC-KRWDZBQOSA-N 433.461 2.013 30 10 IEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 2243434768 DWCJMIQUGGQUAE-OAHLLOKOSA-N 430.376 2.445 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC4(CN(Cc5ccccc5)C4)C3)ns2)OC1(C)C 2247919013 OLZFVBOXJPPRTC-UHFFFAOYSA-N 425.363 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255640296 KDZRQUVFWNCKAY-ZSOGYDGISA-N 449.382 2.285 30 10 IEEE CCn1cc(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255818242 IKWWCBPRKJLRST-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255825920 HRKSLMKAEMGUJE-ZIAGYGMSSA-N 434.346 2.132 30 10 IEEE CC1(C)OB([C@H]2C[C@@H](C(=O)NC3(C(N)=O)CCN(Cc4ccccc4)CC3)C2)OC1(C)C 2267113451 UDDPZFOFKCUQCK-KDURUIRLSA-N 441.381 2.495 30 10 IEEE CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)CN(C(=O)OC(C)(C)C)C1 2267142527 VUPCKIZNJRJBOL-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268633136 ATGNAKKCCOUHNW-RHSMWYFYSA-N 447.341 2.344 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC[C@]34CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2282018411 WUCFUEZNNPERQX-DFBJGRDBSA-N 448.376 2.418 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)n1C 2315515116 HOPURPCFTLDHHC-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315538579 KTHHHRXSKFBOAB-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccn1 2330778183 SOAGAQXBKOEBNG-UHFFFAOYSA-N 434.485 2.133 30 10 IEEE Cn1c(=O)c2c(nc(NN=Cc3cccc(O)c3)n2Cc2ccccc2Cl)n(C)c1=O 5358022 GPRCRKHZUVYCHI-UHFFFAOYSA-N 438.875 2.287 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)c1 103126897 UKNLCPFHLKURGV-HQMFNGAOSA-N 442.424 2.034 30 10 IEEE CC(C)(C)NN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254313397 XVOMJAHJARLQPW-UHFFFAOYSA-N 433.377 2.087 30 10 IEEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cnn(CCC#N)c1-c1ccccc1 428525082 YDWKVBVCIBKCLC-NCXUSEDFSA-N 436.468 2.029 30 10 IEEE CCO[C@@H]1C[C@@](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)(C(=O)OC)C1(C)C 444768506 UDNMTJMYFRLCKU-VGOFRKELSA-N 425.489 2.019 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)C2)n(C)n1 446938750 XXATVECDNIWCLW-QFIPXVFZSA-N 435.576 2.487 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 460810086 PTYPSIYXUFVDFT-APWZRJJASA-N 431.562 2.311 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 461301220 ZXMHTMMARCNLOW-UHFFFAOYSA-N 442.541 2.499 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2ccncc2OC)CC1 483217870 OBLLOECBNZBGTH-UHFFFAOYSA-N 440.548 2.177 30 10 IEEE COc1cc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c(OC)c1 486001184 DUINBIXXPFCDEX-LBPRGKRZSA-N 440.499 2.199 30 10 IEEE Cn1nc(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc2c1=O 501733881 HMEZRHMYLPVAGX-UHFFFAOYSA-N 429.480 2.225 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@]34[C@H]5C(=O)[C@H]6[C@H]7C[C@@H]([C@@H]63)[C@@H]4[C@H]75)c(C#N)c2N)cc1 503018262 NIDCUVPZCDNBCR-HVSJVZIESA-N 427.508 2.010 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)CC1 506964388 HCIRRHOUCQFIKN-UHFFFAOYSA-N 434.562 2.255 30 10 IEEE CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522802416 PYLPRTKGCKGGJG-UYAOXDASSA-N 448.589 2.415 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 523860949 NJVZBXNQJDJPHE-CQSZACIVSA-N 447.538 2.177 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 565884371 JXCLCHGTCYNZFS-UHFFFAOYSA-N 446.485 2.046 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 604184541 OYHZMDWTQGMSFD-UHFFFAOYSA-N 429.348 2.392 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)nc1 608984467 XHYRDXGCWNRCDO-UHFFFAOYSA-N 434.544 2.254 30 10 IEEE Cc1c(F)cccc1-c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)o1 609668829 VICXPOAWOHRUOW-UHFFFAOYSA-N 437.496 2.280 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)cc2C1=O 642159180 KRVIRVJUVHOTBU-UHFFFAOYSA-N 433.464 2.075 30 10 IEEE N#C[C@@H]1CN(C(=O)NCCc2ccc(I)s2)CCN1C1CC1 732674843 MYTNNAFYKLGEME-GFCCVEGCSA-N 430.315 2.277 30 10 IEEE CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 743513274 VPQVVOXUBFQMNJ-SUNYJGFJSA-N 441.557 2.462 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cc(Br)ccc1N1CCOCC1 746100037 AUSQVMBPMSTZGC-VHEBQXMUSA-N 449.305 2.141 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC(=O)N2C)cc1 760400599 BHZLJVKHPBJNPD-PKOBYXMFSA-N 433.530 2.135 30 10 IEEE C#CCNC(=O)c1cccc(-c2noc(-c3cnn(-c4ccc(OCC)nn4)c3C)n2)c1 761800822 ZPZOWLXOYGOYOE-UHFFFAOYSA-N 429.440 2.449 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)CC2)c1C#N 763606695 OMDKPMFGOKBHRO-QAPCUYQASA-N 445.568 2.077 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cncc4ccccc34)c2=O)cn1 772903670 AWEMXNDSBHZYES-UHFFFAOYSA-N 443.532 2.392 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 780650429 FNVJDVBUUGKJDE-LJQANCHMSA-N 427.892 2.348 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)NC3(C#N)CCCCC3)c2C1 782416927 BXJNHTQYXROCIQ-UHFFFAOYSA-N 431.493 2.202 30 10 IEEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 785119851 XAJUACQAGVMAJU-OAQYLSRUSA-N 448.523 2.376 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)n1 788819799 LTEOGTNXSXXBIS-KRWDZBQOSA-N 438.557 2.413 30 10 IEEE C=CC[C@]1(C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)CCCN1C(=O)OC(C)(C)C 790888395 GRPMGRGVPFDJHU-YCRPNKLZSA-N 433.509 2.184 30 10 IEEE C=CC[C@]1(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)CCCN1C(=O)OC(C)(C)C 791717716 LHFBLAMBHGWAHO-OAQYLSRUSA-N 438.521 2.241 30 10 IEEE CCn1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)cn1 795176609 JAJACGYVYIUTCE-SFHVURJKSA-N 446.552 2.242 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 796845301 XUDPIDHNYKKWGA-ZFWWWQNUSA-N 437.518 2.407 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CSC2(C)C)C1=O 802721312 SFGFDMQKEIIPJB-IAGOWNOFSA-N 445.614 2.452 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1C#N 803534485 JHVYSBHRTITBSZ-KRWDZBQOSA-N 430.505 2.089 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@@H]1CCCO1 812275225 PGCKEMXAEFWYIH-HKUYNNGSSA-N 443.573 2.367 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(C#N)c(Cl)c1)CCO2 814398136 GXJDQQAAYNDUIG-UHFFFAOYSA-N 427.910 2.222 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 914850809 SIZHNCKDQZAVQZ-WTKPLQERSA-N 441.513 2.157 30 10 IEEE N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 920108869 BVGNNRIMPVXGRL-SJCJKPOMSA-N 441.390 2.436 30 10 IEEE N#Cc1nc(NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)ccc1Br 1130240710 YHHZCQJJYLDWDQ-VIFPVBQESA-N 441.332 2.256 30 10 IEEE C[C@@]1(C#N)CN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CCO1 1134270171 BFXIXYOVQACXIN-MRXNPFEDSA-N 439.291 2.434 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)s1 1136754645 ZIXFWXCONUORCZ-CYBMUJFWSA-N 431.580 2.127 30 10 IEEE C#CCN(CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)C(=O)OC(C)(C)C 1139604785 BVZWOPMMWKUJKI-UHFFFAOYSA-N 442.476 2.327 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)nnc1-c1ccco1 1158084983 RMKHLJOZNZVNAB-ZBFHGGJFSA-N 436.559 2.384 30 10 IEEE O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)NCC#Cc1cccc(C(F)(F)F)c1 1170452436 YDSMUZJNLMBGLQ-ZWKOTPCHSA-N 429.442 2.454 30 10 IEEE CN(C)C(=O)O[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1170479038 GQLCSJQEGAVDET-SJORKVTESA-N 443.548 2.129 30 10 IEEE CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)Cc1cc(C#N)cs1 1176556329 UZFHXTGZVDZEDR-UHFFFAOYSA-N 431.543 2.161 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)ccc1F 1178837460 WIXDUUOSURRBSW-OAHLLOKOSA-N 441.525 2.371 30 10 IEEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCN(CCC(F)(F)F)CC1 1275747725 CPQJXZWTNCODKK-UHFFFAOYSA-N 446.495 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1286304917 YPMURQCZLLZHET-SJORKVTESA-N 432.569 2.408 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286339936 UFVMALYMAHFCKD-MRXNPFEDSA-N 446.533 2.032 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)SC 1286400443 GGUAWLLHOWUKIN-OAHLLOKOSA-N 430.603 2.371 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286495802 FTPIKCOQERDZOW-SJORKVTESA-N 427.640 2.266 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286508285 PSCRIHTZXGYYAH-UHFFFAOYSA-N 444.568 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C1 1286787565 WPAXCCHVTYNEEC-INIZCTEOSA-N 435.532 2.213 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOCC3)cc2)C1 1286812579 MUJPAWUVFSSFDL-NRFANRHFSA-N 427.549 2.481 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1286961171 LREAHDCPUFDBGZ-JTQLQIEISA-N 444.284 2.023 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1288099396 AEYCASIMSNCSRY-XOBRGWDASA-N 437.520 2.114 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1288247674 FJONHXSBXNUMOI-MOPGFXCFSA-N 438.532 2.116 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNc2ncccc2C(F)(F)F)s1 1291690202 MQYICBUSFFNDQA-UHFFFAOYSA-N 448.492 2.397 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 1292305310 VKCYKZLDTSKGRL-SDMNGIDPSA-N 447.507 2.288 30 10 IEEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)cn1 1294952538 HZWPSOKODHBBLV-UHFFFAOYSA-N 431.500 2.327 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2nncn2CC)c1 1300333034 SSLCMWCKBXXCBP-UHFFFAOYSA-N 441.499 2.056 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483999 NOOFPFRUZXUBRY-IAGOWNOFSA-N 440.635 2.331 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300695788 JOVXNVNAJGSWLT-KRWDZBQOSA-N 427.553 2.284 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300765199 ASKYUTPYXYVKRW-ZWKOTPCHSA-N 428.514 2.358 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1300914628 GCGHMUUHZOSFJO-IBGZPJMESA-N 433.578 2.370 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1301337958 ONNKXUSLJCYTTJ-HYBUGGRVSA-N 441.576 2.440 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CCO1 1301373133 HQXYXWCEIXJWTO-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccnc1C 1301379176 CUYSUKZCINJBIK-UHFFFAOYSA-N 428.504 2.440 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301618394 RDJOOUNBYLHIJH-UHFFFAOYSA-N 434.610 2.014 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1 1306015639 WSWJDUZUBNUNDH-DLBZAZTESA-N 441.525 2.228 30 10 IEEE CNC(=O)[C@H](CNC(=O)N(C)CCc1cccc(C#N)c1)Cc1ccc(OC)c(F)c1 1312918658 OCTAEVKTMUHAPA-IBGZPJMESA-N 426.492 2.495 30 10 IEEE CO[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOC1 1315283305 LWPMMFPGLPAPGS-QHCPKHFHSA-N 439.564 2.265 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1316102671 ZPUXZRBFBFCOJW-DXIQSLLYSA-N 433.553 2.267 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1358922086 SSRFMWGDXYHCNK-AWEZNQCLSA-N 440.367 2.463 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1358962287 NHEJFAPDUMYSFE-QGZVFWFLSA-N 432.521 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358993778 WZLOAWZGHLJBPP-NRFANRHFSA-N 429.528 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1cccc(F)c1 1359018395 OEDSSULOIXDKFI-QGZVFWFLSA-N 429.496 2.207 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ncccc1N(C)C 1359025165 FORVMRJOLSVJAA-QFIPXVFZSA-N 448.527 2.386 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1359208060 DZJUGDZKQUXVIH-YQVWRLOYSA-N 436.626 2.308 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1448632865 VPWBFAPITHURHX-QUCCMNQESA-N 428.533 2.420 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1450477988 VKMVVNJTBCSQSK-SFHVURJKSA-N 441.285 2.146 30 10 IEEE COc1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc(NC(C)=O)c1OC 1458004281 RLWJTHDPBAQCGF-UHFFFAOYSA-N 441.440 2.180 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)n1 1459758148 MBXPKHPUDHGPFL-INIZCTEOSA-N 439.541 2.462 30 10 IEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nn1 1461055838 CXVMJJWUYBOFAT-UHFFFAOYSA-N 443.573 2.060 30 10 IEEE CN1C(=O)CS/C1=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1464287546 BMUPLKHDLDGIOE-DABYVZMTSA-N 436.559 2.265 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cc[nH]n1 1465390180 JPZOLPMUWJLNSY-CQSZACIVSA-N 433.896 2.132 30 10 IEEE C#CCN(CC(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1)C(=O)OC(C)(C)C 1467533897 ASQUTXUUKGYYJF-QGZVFWFLSA-N 449.573 2.301 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H](CC#N)C2)CC1 1470047287 BRUPKVFOJGPILD-MRXNPFEDSA-N 434.518 2.456 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)CC1 1476172292 SQEFWKSOQBVPOQ-UHFFFAOYSA-N 443.529 2.108 30 10 IEEE COc1cc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)ccc1C#N 1478592866 MADYWJKPHPUETI-RHSMWYFYSA-N 431.436 2.218 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(OC)c(Br)c2)C1 1479311925 CPZKCWZJHOJHII-IAGOWNOFSA-N 438.366 2.006 30 10 IEEE Cc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1492781719 JAQMOAXYGQNFPD-ISLYRVAYSA-N 432.431 2.351 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1499961366 UAGWKKNXQJVYCN-WMZHIEFXSA-N 439.564 2.316 30 10 IEEE COc1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1504244458 BXKVMKHSPVHMJR-SJLPKXTDSA-N 443.504 2.127 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1505013912 ZWZIWXUSCQPRHH-SJLPKXTDSA-N 426.521 2.350 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507575142 SOBSDACVMWAJTB-GHTZIAJQSA-N 438.594 2.136 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1-n1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507624582 BSPCSEIRQHOAGC-FQEVSTJZSA-N 438.557 2.064 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507630944 JUHXBNZTUZZWBC-SFHVURJKSA-N 430.578 2.276 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1conc1COC 1507673257 RJMOKPUGEPBZCH-UHFFFAOYSA-N 430.468 2.374 30 10 IEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 1507850875 CKAJIVLAOZWDON-LJQANCHMSA-N 444.557 2.283 30 10 IEEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507889480 VZEMITZKPFEIDG-QFIPXVFZSA-N 446.573 2.180 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)COCCO1 1507997682 DEBROXGLSSJSHE-HSZRJFAPSA-N 443.548 2.423 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCO[C@H](C)C2)cc1 1508100852 POIPEMFUVUKBNV-IEBWSBKVSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1508128137 YURWGHSCKYVIAX-NJYVYQBISA-N 433.597 2.310 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC2CCCCC2)C1 1508131569 MGBCWZLAVIEBDT-LJQANCHMSA-N 444.580 2.021 30 10 IEEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C#N)CC2)CC1 1515900311 RTZBNKHTRFKETG-QGZVFWFLSA-N 442.637 2.400 30 10 IEEE COc1cc([C@H](C#N)NC(=O)CCCN(C)C(=O)c2ccncc2)cc(OC)c1OC 1528058167 DPAALGKPPGOFDB-KRWDZBQOSA-N 426.473 2.341 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1539011943 ILRLDLPUSFOUIP-DLBZAZTESA-N 432.569 2.375 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)N(C)C2CC2)c1 1539042904 LAEPLQSVXFTFQK-PKOBYXMFSA-N 436.560 2.321 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1539221449 OMIUYUINMXKEJU-IAGOWNOFSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCCC1 1539251823 RMEHEMXIJAAQPO-UHFFFAOYSA-N 440.525 2.104 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)N(C)C 1539299009 CTQWUVNWHKRREU-FQEVSTJZSA-N 427.574 2.174 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539500238 VPGWOCRESZSZAB-CRAIPNDOSA-N 431.518 2.460 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](c3nccs3)C2)nnc1[C@]1(OCC)CCOC1 1539530702 MGDRQMOSNXBAKG-JXFKEZNVSA-N 449.602 2.331 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC(C)C)CC1 1539626665 FYIAQIGINUKORR-TZIWHRDSSA-N 443.596 2.207 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1NC(=O)CC1(C)C 1540194565 SPNBMWINHDARIO-GOSISDBHSA-N 427.505 2.227 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1540857615 IOEMGMSYTGVYOM-LJQANCHMSA-N 430.597 2.271 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C)C1 1540865027 SEYSEMNPYDTXBE-GFCCVEGCSA-N 438.301 2.374 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1541989094 GMALVJGWUNCMQB-OAQYLSRUSA-N 437.529 2.317 30 10 IEEE CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCN(c2ccccc2)C1=O 1543083065 ZTNAQRSURPQSOS-LJQANCHMSA-N 429.473 2.391 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1544466977 XCJGDCXPLWPPMJ-ANNUQZOISA-N 440.479 2.369 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1546747519 MSLIDEAWKCEGHG-FLCAKVCDSA-N 444.536 2.050 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1547552671 KDXDOEDKQKQUCH-QBNCKDSPSA-N 430.553 2.398 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555801150 DQNWDVXYXWIONX-HXUWFJFHSA-N 442.589 2.337 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1[nH]cnc1Br 1561922515 OZBWJMXVOLLGDA-UHFFFAOYSA-N 447.355 2.196 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 1565337952 LBTRWBIIBPLGFI-FQEVSTJZSA-N 443.548 2.173 30 10 IEEE Cn1cc([C@@]2(CNC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)CCCO2)cn1 1565441265 KCZCFGFLLUWZAM-NRFANRHFSA-N 428.924 2.483 30 10 IEEE COCCCn1cc(C)c(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1569279736 KNHRSDKEKSALAP-QGZVFWFLSA-N 447.561 2.320 30 10 IEEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](CC(F)(F)F)O1 1585358943 PTAGPQWDTVFEKG-FRRDWIJNSA-N 433.452 2.072 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1CCN(CC)CC1 1587969733 CTMNOGXLXFBAPT-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(CCc2cnccn2)CC1 1588072015 QSLLYUXYJBDPSO-LJQANCHMSA-N 430.553 2.141 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)CC 1588105214 PUDWMAJTJCAUNE-UHFFFAOYSA-N 441.376 2.277 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1588384834 CGNXTFJYRFEUNX-QHCPKHFHSA-N 436.604 2.449 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ncn(C)n2)CC1 1588871696 NHJSVYKBXJBLCX-UHFFFAOYSA-N 448.575 2.087 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCCC)CC1 1588899172 LUFUTDKHVFNHKC-UHFFFAOYSA-N 448.527 2.183 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1589357691 DXDMLLWWZPQFTO-UHFFFAOYSA-N 431.338 2.494 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(OCC(N)=O)CC1 1589558559 LYKVEXWVOIWIRI-LAUBAEHRSA-N 445.589 2.382 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1593877939 ABUOHFDNSRRTIN-OAHLLOKOSA-N 437.932 2.124 30 10 IEEE C=C(Cl)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1593933085 VPBQEKBGZVJFSQ-LJQANCHMSA-N 425.917 2.150 30 10 IEEE C=CCN(c1nnc(-c2cccn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1595043681 ATUOVPPLFRXABA-HXUWFJFHSA-N 425.581 2.381 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1595798454 PNTQWNQBAIKYNX-QZTJIDSGSA-N 436.534 2.291 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3c(nc2O)CCC[C@H]3O)c1 1596359743 WTQRARCWKXJLBB-LTXLMFNASA-N 444.513 2.222 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1607572606 CYATXUYNLIKUSB-XXBNENTESA-N 443.596 2.001 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCc2cccnc21 1613594344 HMTGSZRXGHDWPE-IEBWSBKVSA-N 437.548 2.440 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1CCN(C)CC1 1617454756 SVJSPESVBPMRDT-CPNJWEJPSA-N 429.586 2.255 30 10 IEEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1627604195 HNLUMTTZEUQDKM-LJQANCHMSA-N 432.484 2.404 30 10 IEEE C=CCc1ccc(OCC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(OC)c1 1631368638 FOMBHAACKAQOSE-UHFFFAOYSA-N 442.537 2.406 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)CC1 1636475765 WKEMOFZGABMTFE-SJORKVTESA-N 446.598 2.182 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1639826720 QZGJHPRDOSQABA-AWEZNQCLSA-N 435.905 2.125 30 10 IEEE C=CCCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1652014204 VPPBONMASDRPOK-OAHLLOKOSA-N 426.535 2.400 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1654984617 PRWBKXQHAGNYOQ-HRAATJIYSA-N 444.557 2.237 30 10 IEEE C=CCn1cc(CNC(=O)Nc2cc(I)cc(C(=O)OC)c2)nn1 1668437197 RKEXXLLXENEZBA-UHFFFAOYSA-N 441.229 2.177 30 10 IEEE C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CC1 1671706829 MSNSEAQNLZZASC-KRWDZBQOSA-N 446.548 2.157 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1689949017 NOVCUBYARPYQRX-LJQANCHMSA-N 429.487 2.274 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCS(=O)(=O)C1 1690012296 YDAAJDAHPGTUOF-LJQANCHMSA-N 448.552 2.028 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(C)C)CC1 1690109307 NEESAUARVAZYDM-UHFFFAOYSA-N 436.560 2.105 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1690169927 SHOHKNWIUCPZTH-KRWDZBQOSA-N 443.621 2.422 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690503120 QPTUMTIIHXSWNS-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690723938 DWFFJGGITSGSBS-DLBZAZTESA-N 426.583 2.167 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690742033 DXWWECDXEPMFTP-CVEARBPZSA-N 429.546 2.425 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1698417996 UAXNKNUCXMJZAL-UHFFFAOYSA-N 448.618 2.432 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1705477863 SVRHAQVQZWXVPS-AEFFLSMTSA-N 433.578 2.384 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OC)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705561059 NCAKYNUNNDMWSS-HNNXBMFYSA-N 442.463 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC1(C)C 1705576846 RRTMAGLZTWOZBO-GOSISDBHSA-N 425.558 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1705590890 YWZADDWPNKTJLZ-RUZDIDTESA-N 449.555 2.191 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705895493 IKGUUIFFNZQVDM-CALCHBBNSA-N 446.983 2.446 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705916142 ZPJFBWDWOGSNOH-IBGZPJMESA-N 449.559 2.420 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1706937532 LXCGINGLEFSNFF-INIZCTEOSA-N 425.468 2.202 30 10 IEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 1710602240 FNBBRGYYRZMTDW-HGCBZUSOSA-N 439.516 2.136 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1722324569 UOBHNPBELNESLW-LBPRGKRZSA-N 429.468 2.355 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1722335075 AUZXAYWRZFZOJC-IBGZPJMESA-N 440.523 2.113 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1722384934 ZWLJUGYSVYCUEA-LJQANCHMSA-N 437.548 2.247 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1722436701 DDNNBZSIMMRZOH-QHCPKHFHSA-N 436.604 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1722449565 UYRXFTGZELVVSI-SFTDATJTSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722458964 YVQBVEJBJHNOOW-UHFFFAOYSA-N 444.649 2.437 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1722703704 FLGCYBIHJPFNRK-HYBUGGRVSA-N 439.560 2.301 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C 1723636004 FJMKRGZTHXBPSN-UHFFFAOYSA-N 432.532 2.287 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)N1CCC(C)CC1 1727602655 FRZFBIYIVMDJRS-SFHVURJKSA-N 439.612 2.201 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1)C(C)C 1728297228 ATHQIWFEZZSWFE-UHFFFAOYSA-N 443.533 2.159 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1740542505 WORXRTNBSIZRCK-RTBURBONSA-N 440.592 2.446 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740636338 YBSYNUXAVHIPAU-LJQANCHMSA-N 427.512 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1740653358 JXUBQWGSSLBASC-SFTDATJTSA-N 434.544 2.004 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740679285 SKEFOUPBNYJVTH-QFIPXVFZSA-N 448.564 2.195 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCCC(C)(C)C2)CC1 1740704796 UFEFQIROTKIDEH-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740756665 QKILPLGIHXGGLG-AQNXPRMDSA-N 445.589 2.444 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccnc(C)n2)CC1 1740768749 XJDFBRBJZOSTSH-WIYYLYMNSA-N 427.553 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1740982505 WMYIVJORBUYMHZ-OALUTQOASA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1740991225 RCZAJCQWAGMXSK-NRFANRHFSA-N 434.537 2.383 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741245133 KOEQURGTMGKGBX-SSEXGKCCSA-N 428.562 2.313 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1741698449 BFPCYVAGRWXZDJ-XJKSGUPXSA-N 436.438 2.497 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)o1 1742214997 ZCXZSDGTPDHQIO-UHFFFAOYSA-N 428.518 2.246 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)n[nH]1 1742600302 BAGOQMYICGAZGA-UHFFFAOYSA-N 447.547 2.227 30 10 IEEE Cc1noc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)n1 1742893312 KCRSMMZFFCHRRR-BEFAXECRSA-N 437.504 2.260 30 10 IEEE CCc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744717426 JKZPMNKAEVFGJX-MKSIGINJSA-N 440.479 2.084 30 10 IEEE CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1747362928 JEWLLVUEAWMZLU-KRWDZBQOSA-N 434.541 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1N1CCOCC1 1748642867 QWOZJIILKJRIOL-RBUKOAKNSA-N 427.549 2.345 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2c(C)noc2C)CC1 1748994745 PQNFTKOPJZBTJT-UHFFFAOYSA-N 434.544 2.480 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749032399 GGMZJDSQJWEZRV-HXUWFJFHSA-N 431.587 2.030 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749276108 DMRWGOXKQRQPNK-LJQANCHMSA-N 449.968 2.201 30 10 IEEE COCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750100942 QVZNRVCUSSNFMY-IBGZPJMESA-N 430.940 2.438 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760159067 WFKKXCFUWHMPCZ-OAQYLSRUSA-N 437.544 2.407 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CC 1760205909 MONICIRKEJWIEM-OAQYLSRUSA-N 432.576 2.009 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1760423943 QTVBYXYFGHMGEE-SFHVURJKSA-N 435.536 2.240 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760425791 VVFAHPUQZZIDRK-MOPGFXCFSA-N 427.553 2.304 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1760481584 BXTSHOPWYPEXIA-QGZVFWFLSA-N 443.577 2.171 30 10 IEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1760567302 VUOZNBJWUFHHQT-UHFFFAOYSA-N 429.590 2.392 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@@H]2CCCO2)n1 1762439893 CHVDLPQDEZUNEK-RXVVDRJESA-N 431.516 2.167 30 10 IEEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1763005604 CDSYEVYCTQIOIO-SFHVURJKSA-N 429.546 2.400 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1763746103 QEMWQFZOJCBFNI-FUHWJXTLSA-N 436.564 2.300 30 10 IEEE CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1764224325 UGIVBDDJMISNFP-MOPGFXCFSA-N 425.493 2.455 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1 1766611026 TZLDCGOZDGTPBT-UHFFFAOYSA-N 434.548 2.066 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCOC1 1767062431 SYHTZXFICDXLEY-PMACEKPBSA-N 438.532 2.180 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)O 1767175437 CTOZSWBXUVLREJ-UHFFFAOYSA-N 430.463 2.471 30 10 IEEE COc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1768747451 XRQRUFBQRGQSBR-IRXDYDNUSA-N 447.561 2.254 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)CC#N)c1 1769362807 GLVSYUWMLDWNQN-QAPCUYQASA-N 432.550 2.214 30 10 IEEE COCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)cs1 1769372344 BMVWUIQXIUVHNJ-ZDUSSCGKSA-N 426.506 2.172 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1769516570 NBGQPGYHRZUISS-NRFANRHFSA-N 429.546 2.257 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCO[C@H]1C 1769818581 ATQIAHCPIYFWBF-UUOWRZLLSA-N 448.527 2.405 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC=CCO1 1769818725 CMSHIJAVVTZTMI-HXUWFJFHSA-N 438.532 2.286 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(C4CCC4)n3CC(=O)NCC(F)F)CCO2)c1 1771531727 AFCRSZFJRHSJCZ-KRWDZBQOSA-N 430.459 2.376 30 10 IEEE COc1ccc(-n2cc(CN3CCN(CC(=O)Nc4ccc(C#N)cc4)CC3)nn2)cc1F 1848473049 BIJKKXPJHKMXEN-UHFFFAOYSA-N 449.490 2.043 30 10 IEEE C=CC[C@@H](OC(=O)C1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1)c1ccccn1 1850877399 LTJOCXNVCJCJHR-HXUWFJFHSA-N 435.484 2.439 30 10 IEEE COc1nc(=NC(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)c(C#N)c(C)[nH]1 1851172382 SAAXNZSOLABYPZ-UHFFFAOYSA-N 443.511 2.057 30 10 IEEE Cc1cc(C(=O)c2cnc(N=CN(C)C)s2)cc(C)c1OC[C@H]1CN(C)C(=O)CO1 1851179291 SMKKHUHIBULGGH-MRXNPFEDSA-N 430.530 2.448 30 10 IEEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)CCCS(=O)(=O)c3ccccc3)C2)CC1 1853735403 SBDPXINBFUCDHJ-LJQANCHMSA-N 431.558 2.241 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)/C=C/c2cc(OC)ccc2OC)cc(C(=O)OC)c1 1860727740 CZLNHCJIDKZHOV-FNORWQNLSA-N 427.409 2.498 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCn2ccnc2)=C(N)Oc2c1c(C)nn2C 1864316787 OSJMFIAUGWWFQU-HXUWFJFHSA-N 448.527 2.391 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)cs1 1890754100 PBVCXXYRHIHZST-UHFFFAOYSA-N 437.525 2.321 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC1(S(C)(=O)=O)CC1 1902434586 APIKMPZUDOTPEC-QXAKKESOSA-N 437.558 2.427 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1908191291 WGNMZVPVHUOHRU-YESZJQIVSA-N 439.553 2.027 30 10 IEEE C=C[C@]1(CO)COCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2022246804 ONUJDVASRGSNAS-BOCKYXSRSA-N 434.533 2.261 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622021 UTBGSMODGXJIOG-ALYAQQCSSA-N 436.358 2.467 30 10 IEEE Cc1c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc(C#CCCO)c1Cl 2202928389 YAOSMJBPWPPBPA-UHFFFAOYSA-N 446.912 2.420 30 10 IEEE CC1(C)OB(c2sccc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2249491666 UWIAJGZWYLLGPX-UHFFFAOYSA-N 432.273 2.330 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H]1CO 2254804679 ZVOILTKYPCIKSJ-NVXWUHKLSA-N 433.358 2.093 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2255672841 MGJDVOIDJGGLJR-PBHICJAKSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2264618926 SHCNUGXQVLMSPU-CVEARBPZSA-N 447.341 2.080 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267132355 OOMQUTOWGRXZBT-CVEARBPZSA-N 448.373 2.285 30 10 IEEE CC1(C)C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2267142001 OCPJESBPTOVQCC-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267282037 ZMQZBFURAZFCHS-IQMFZBJNSA-N 443.353 2.368 30 10 IEEE Cc1c(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267507509 PJSOTHMQEDKZSM-UUOWRZLLSA-N 436.365 2.032 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)c1cnn(Cc2ccccc2)c1 2267539394 JZXBLWXLHGPYNK-INIZCTEOSA-N 435.337 2.455 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267553369 YRVBUPHGPYWVLH-OAHLLOKOSA-N 446.357 2.151 30 10 IEEE Cc1cnc(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267574069 QKPMZHDTRXVZLO-UHFFFAOYSA-N 447.341 2.314 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267590188 LLESMORAPDGGCT-QGZVFWFLSA-N 449.332 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879955 NJXZDBITCYDCCW-HUUCEWRRSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278789941 PYSMOUPZEUFIHC-MAUKXSAKSA-N 444.347 2.244 30 10 IEEE COCCn1cc(C#C[C@H](N)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cn1 2302062696 AXORMSAHCOKGTB-SFTDATJTSA-N 428.533 2.318 30 10 IEEE COc1nc(N2CCOCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317502195 XKBJLSATIWMDCP-UHFFFAOYSA-N 435.330 2.378 30 10 IEEE CCOC(=O)CCN(CC)C(=O)C(=O)C=Cc1ccc(OCC(=O)N(CC)CC)cc1 2323178210 XRXVCKHCVWRQID-UHFFFAOYSA-N 432.517 2.318 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2329175770 NNIYHNCLQVBFBX-UHFFFAOYSA-N 426.458 2.267 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)C1CN(C(=O)OC(C)(C)C)C1 2337282333 BUWFIPSVVQALGY-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE CSc1nc(C2CC2)cc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)c1C#N 24768476 DBIZEROHAUACEJ-UHFFFAOYSA-N 434.529 2.261 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 27050313 AVHKNYGDBCNOEW-HNNXBMFYSA-N 431.489 2.434 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1(C#N)CCCC1)n2C 61171734 FREQIMDBSLSIIR-UHFFFAOYSA-N 431.562 2.489 30 10 IEEE CC(C)N1C(=O)C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 409518757 NHENNDITELQRBQ-PZPSRYQVSA-N 430.933 2.455 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)cc2C1=O 428445716 HLHKGJZCUZDTDQ-HXUWFJFHSA-N 433.508 2.490 30 10 IEEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc2c(c1)OCO2 429907796 DFFFVBLEZNSFKZ-UHFFFAOYSA-N 441.509 2.098 30 10 IEEE CC(C)(COCc1ccccc1)NC(=O)NCCN1CCN(c2cccc(C#N)n2)CC1 440528083 BCNKQXVGLPYPGD-UHFFFAOYSA-N 436.560 2.370 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@@H]2CCCO2)n1 461063346 VJXHQPYAIQMTND-ROUUACIJSA-N 445.531 2.204 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 461326528 PXODTAGHMLADTH-UHFFFAOYSA-N 428.514 2.305 30 10 IEEE Cc1ccc(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)cc1S(=O)(=O)NCC#N 473163490 IXJWYOZHMPVBNQ-CQSZACIVSA-N 446.495 2.190 30 10 IEEE CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(c2ccccc2F)C1=O 488255013 YWUADWPIXPCZOL-PZJWPPBQSA-N 449.486 2.245 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccccc1C#N 507087989 LSTDHWXKJZQIIK-UHFFFAOYSA-N 446.507 2.247 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 508252296 AMADPRVWUIMIBN-QRWLVFNGSA-N 426.904 2.350 30 10 IEEE CC(C)C(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 513464521 ZFNIRBFPBBGXCY-SFHVURJKSA-N 441.576 2.156 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2OC(F)F)c1=O 522271236 OPUBSMCUJZFLSR-UHFFFAOYSA-N 434.464 2.412 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 549292914 ZKGZMQHUUAZUAU-UHFFFAOYSA-N 434.522 2.290 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 549669487 JHKDWSJDCWVXAA-OALUTQOASA-N 431.562 2.181 30 10 IEEE Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CCN(C(=O)CC#N)CC3)nc2n1 554679494 PVAYDWRBIIQAQD-UHFFFAOYSA-N 449.540 2.232 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(F)c(F)c2)CC1 582515463 QUFPZKPFSGXUHT-OAHLLOKOSA-N 437.516 2.361 30 10 IEEE C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@@H](C)O1 585709854 NEYAKSLLDIVSQK-IAGOWNOFSA-N 438.503 2.239 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@H](C(=O)OC)c2ccccc2)nc1C 586303697 NHUBLUMLUBQXAZ-OFJJUDJNSA-N 436.511 2.396 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(C#N)cc2F)c1 609229660 HLVCPLCJNBICCZ-UHFFFAOYSA-N 430.505 2.478 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669805100 CKOLPLUSFGAVMD-UGKGYDQZSA-N 438.576 2.340 30 10 IEEE C#CCN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 729333569 ZGBCLTJCSKEQAE-OAHLLOKOSA-N 428.432 2.095 30 10 IEEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cc1 730139497 QOEQFCABPRDSKY-RBUKOAKNSA-N 432.590 2.427 30 10 IEEE C=CCn1c(SCC(=O)NCCNC(N)=O)nnc1-c1ccc(Cl)cc1Cl 736109036 HSQMSXPIQCBKRM-UHFFFAOYSA-N 429.333 2.315 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)ccc1F 758311686 RFYFLKVBOWPVJC-CQSZACIVSA-N 438.912 2.347 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)[C@H](C#N)C1 758756294 XRXUIAVCKSBGIW-QZTJIDSGSA-N 433.553 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)OCC(=O)NC3(C#N)CCCCC3)C[C@H](C1)C2=O 767747738 WXIDMTPZNQJCCO-ALOPSCKCSA-N 447.532 2.334 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)c1ccccc1Br 769180078 GCJMASNVDMLLLW-UHFFFAOYSA-N 437.271 2.025 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 774029105 KPCWPAQNARQHGS-SFHVURJKSA-N 427.482 2.163 30 10 IEEE C#CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 780905559 SZYZWPIVWOJLHZ-IFMALSPDSA-N 427.522 2.338 30 10 IEEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(Cl)cc2)c1=O 782627068 HWCCDGKFPIVIJI-UHFFFAOYSA-N 446.717 2.075 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)n1cnc(C#N)n1 798360745 XYPCJZMCYNZLFH-STQMWFEESA-N 428.518 2.199 30 10 IEEE C#C[C@@H](n1c(-c2cnnn2C)csc1=NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C 804892231 BJJCCICYGUQBRY-GOSISDBHSA-N 444.586 2.314 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1)c1ccc(Cl)cc1F 807327713 DMDJHVRFKJPCDI-INIZCTEOSA-N 434.855 2.403 30 10 IEEE COCC(C)(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 813561352 HZLIQZOOWUNKML-QGZVFWFLSA-N 438.569 2.498 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1 1084285247 PIZHVJNDZXGXBS-UHFFFAOYSA-N 439.501 2.264 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(Br)nc(Br)c1 1137591616 CSPKKMUBISUKCG-UHFFFAOYSA-N 442.115 2.488 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2cccc(Cl)c2)s1 1153630359 KOQHIJDVEFYMML-SFHVURJKSA-N 428.963 2.432 30 10 IEEE COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1188731882 GSSFKMXKQNAGBN-HNNXBMFYSA-N 437.543 2.064 30 10 IEEE CO[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 1233717427 CNOGLJPPCANJJP-HXUWFJFHSA-N 434.562 2.169 30 10 IEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)C(C)C 1272120119 GOPOQFDOSGKNBO-INIZCTEOSA-N 427.910 2.423 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1286303455 COUVPPPGNRPYMY-XYJFISCASA-N 427.553 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)cc(C)cc2C)CC1 1286490529 MVMAKOSMHLIOHU-NRFANRHFSA-N 448.571 2.169 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286499478 LYKAXVAIHWOYGZ-LJQANCHMSA-N 425.558 2.139 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286541343 HXBUHCUBCRNCEW-IRXDYDNUSA-N 440.386 2.382 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286672641 OOTLZVXNNRZXQD-ROUUACIJSA-N 430.597 2.173 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286807137 KJXXKZGWQWIISW-WMZOPIPTSA-N 434.537 2.224 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1286822678 FWFYNQJHRGPQRA-AWEZNQCLSA-N 431.628 2.201 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1C(F)(F)C12CCC2 1288808705 YRLPIJRXTYITRV-OCCSQVGLSA-N 428.509 2.064 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)s1 1296021777 RPRMMIKVSJJRCU-UHFFFAOYSA-N 439.603 2.149 30 10 IEEE C[C@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)n1cc(Br)cn1 1296166161 GAMYOHBNAFFIMM-DYEKYZERSA-N 426.315 2.472 30 10 IEEE CCOCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCS(=O)(=O)C1 1297086319 BEULNZNKOJKCAW-GOSISDBHSA-N 429.546 2.290 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1)C(=O)OC 1299177702 ATUUMLHTSGYMMS-LJQANCHMSA-N 444.509 2.489 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1300272517 NGUPYNGROCJDAQ-ONSXPEOJSA-N 433.965 2.231 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccccc2)CC1 1300319830 DIWOGZZFWIRCFL-NRFANRHFSA-N 449.603 2.071 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)N(C(=O)OCc2ccccc2)C1 1300399705 MHBCPWSYPMGNOS-FSSWDIPSSA-N 437.496 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(OCC)CCCC2)CC1 1300725092 GHLCWBLOOUFIMM-IBGZPJMESA-N 429.565 2.097 30 10 IEEE COC[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300977201 CALRDRYQFUEOHL-ZDUSSCGKSA-N 439.545 2.451 30 10 IEEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C(=O)NC)C1 1300980019 JZJMDPNDQUIBLO-IBGZPJMESA-N 425.489 2.235 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1300983295 GUZYFIYESAMVHS-UHFFFAOYSA-N 437.479 2.320 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1C 1300993257 SEXRLNPBFMYBHA-UHFFFAOYSA-N 427.526 2.276 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1301069763 DRTKAOVLKNHFPJ-OAQYLSRUSA-N 438.594 2.300 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CCc1ccc(F)cc1)C1CC1 1301474672 FPSKXOKZUJINAP-UHFFFAOYSA-N 440.523 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1301593810 UUXQOBSIULVBEA-XJKSGUPXSA-N 437.393 2.436 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1301607950 VAKYGOLHWICKKD-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCC(=O)NC1CC1 1302283371 JAGCODIUHQIJKN-PXNSSMCTSA-N 430.553 2.191 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1304903024 DJDJKWFAMRWZBD-IVZQSRNASA-N 436.541 2.453 30 10 IEEE COC1(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCC1 1315263461 HVDHPMVWXOFTHL-UHFFFAOYSA-N 438.532 2.247 30 10 IEEE Cc1cc(C2(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)CCOCC2)on1 1350773682 GPNLTPRPSCXGSZ-LYBHJNIJSA-N 446.529 2.483 30 10 IEEE CN(C)C(=O)C1CCC(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 1354818083 NSICFWVNAXPOEZ-FCDQGJHFSA-N 434.562 2.333 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1358903943 OUTORHMWQUHMSG-INIZCTEOSA-N 442.951 2.332 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cccn(CC)c2=O)CC1 1359038813 LYBIJXZHDILCHO-UHFFFAOYSA-N 446.555 2.151 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359122189 CUONAOKQRJQKBM-AWEZNQCLSA-N 425.505 2.193 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359140994 SKZAGMQBIMKLEA-UHFFFAOYSA-N 426.846 2.191 30 10 IEEE C#CC[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccccc2F)C3)c1C 1450521281 BFKZDKAQVBAKAQ-HXUWFJFHSA-N 447.514 2.387 30 10 IEEE N#CCCN(C(=O)CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 1460707001 FBSCQLKUNMLKEU-UHFFFAOYSA-N 436.472 2.365 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1460874757 HAOXLNPGZBDZDZ-XXBNENTESA-N 428.533 2.405 30 10 IEEE C[C@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H](C)N1CC(F)(F)F 1478403424 KFQALWQWYFAZQI-BARDWOONSA-N 433.475 2.412 30 10 IEEE C[C@]1(Cc2ccc(I)cc2)CCCN1C(=O)NCC(=O)NCC#N 1478602954 RKBCQJDFLPAFRZ-QGZVFWFLSA-N 440.285 2.038 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1503378628 DSUNAGSHOWXNRF-WOJBJXKFSA-N 442.589 2.170 30 10 IEEE CN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1503429364 YAORKMPLUZULHE-BSBNDGSWSA-N 428.537 2.467 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccc(C)s1 1507538997 ZCOYIJYPXTWEJR-OAHLLOKOSA-N 444.586 2.070 30 10 IEEE C#CCSCCn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1507758349 MPVGSJGISWGNHR-DAYGRLMNSA-N 448.511 2.453 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@]1(C)CN(C)C1=O 1507998433 PVQJIWKIOMWFLB-QHCPKHFHSA-N 433.516 2.415 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1508003798 DSCJLDIOGVQVLM-UGKGYDQZSA-N 446.573 2.178 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCCCC1 1510192201 PFXHAABHQYZPAA-DNVCBOLYSA-N 442.561 2.070 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(I)cn3)C2=O)cc1 1515375641 SGWBDLDRANQEAF-INIZCTEOSA-N 446.248 2.483 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(=O)N(C)C)CCCC1 1517575523 AOMGMKKBJZVGII-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCC[C@H]2CCCCO2)cc1 1521094427 DLZWLAZULHUPQQ-LJQANCHMSA-N 429.546 2.401 30 10 IEEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2=O)c1 1534878659 ZVUGWWMGSHLPHJ-OAQYLSRUSA-N 431.496 2.421 30 10 IEEE C=CCC1(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCC1 1538444086 DPVHWVXGFVVNLN-UHFFFAOYSA-N 435.590 2.400 30 10 IEEE C=CCCCN(CC)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1539022527 HKGYVMSTKNGWCS-UHFFFAOYSA-N 448.589 2.342 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1539216509 TVLSWQSFHPCUNS-MRXNPFEDSA-N 445.495 2.421 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539407577 HPEPSVQFJMUAGK-IBGZPJMESA-N 430.512 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOc2ccc(OC)cc2)CC1 1539466808 HWAPQNWFZXNFID-UHFFFAOYSA-N 425.533 2.455 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539504782 AEYYNQGURDEXOQ-WBVHZDCISA-N 427.530 2.255 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCS(=O)(=O)CC1 1539758697 LEJHYBMGWPJBHT-UHFFFAOYSA-N 434.562 2.247 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1540054712 UVRWIWQCWMGLOZ-UHFFFAOYSA-N 442.488 2.108 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1540853673 ISTWXHURYMERQC-HNNXBMFYSA-N 429.546 2.100 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1541195758 BTHACSDPTPSCEC-QGZVFWFLSA-N 437.548 2.213 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1541907884 GKRIJMYCCNJVRV-NWDGAFQWSA-N 445.471 2.089 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1541976330 LAVQPJMQHRZWQF-XXHMAFKTSA-N 444.923 2.279 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)c1 1543910909 IKLVAWWKGRUXQJ-UHFFFAOYSA-N 436.493 2.041 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 1544486787 MAEWYOQPTYXNNL-QZEKMECESA-N 439.468 2.274 30 10 IEEE O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1544775757 FXCGLMPESCTPEC-TWGQIWQCSA-N 439.487 2.385 30 10 IEEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1547149840 FAVOAFIAFAGZSE-IBGZPJMESA-N 446.577 2.104 30 10 IEEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1555824335 CFOSJJVGXSWWSB-UHFFFAOYSA-N 448.618 2.430 30 10 IEEE Cc1ccc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1S(=O)(=O)NCC#N 1557093439 LTBNVHUFEXDNCY-RDJZCZTQSA-N 435.546 2.379 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1S(=O)(=O)NCC#N 1557467365 WRXXRYXXTNHADR-UHFFFAOYSA-N 440.456 2.339 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1558602560 VCQWGCONWLUTTC-KRWDZBQOSA-N 444.351 2.138 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1564914479 DJSDXIVZQOSEIA-FUHWJXTLSA-N 449.481 2.468 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1568894499 LINFTRCTSHSALI-DYESRHJHSA-N 430.476 2.020 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1587579799 JXLXYYGXGFHXTK-GXZWQRSESA-N 448.614 2.139 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCOC2)C1 1587782724 AEEPSXNOGGJGPT-OAQYLSRUSA-N 429.546 2.069 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1587878729 FUCBLHICZSIHGE-UHFFFAOYSA-N 426.565 2.043 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1588161966 DJHXTLLOQQHKDT-INIZCTEOSA-N 432.933 2.018 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1 1588975129 DRTCRDSVYKGRJR-UHFFFAOYSA-N 427.578 2.212 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1595094740 XYUBRTGKLCJHSW-IBGZPJMESA-N 444.499 2.326 30 10 IEEE C=CCn1c(N2CCN(Cc3ccccc3OC)CC2)nnc1[C@@]1(OCC)CCOC1 1595452849 DTEAUWJSIFYKDX-HSZRJFAPSA-N 427.549 2.447 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOCC)CC1 1595522572 FZPQBHXVYSWXAP-UHFFFAOYSA-N 432.956 2.059 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCCS2(=O)=O)c1 1596611134 HGYTTYFQLTYXQC-AXNLMSORSA-N 441.575 2.185 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc(C4CC4)s3)CC2)cc1 1597531544 CEEMKGVAUOIXEJ-UHFFFAOYSA-N 431.543 2.004 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1Cc1ccc(C#N)o1 1613533435 JBTNEUMMHXTNDH-MRXNPFEDSA-N 441.536 2.014 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1614343460 QHRJQGUXAGGOKD-HMFYCAOWSA-N 441.488 2.394 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(C(N)=O)CCCC1 1620097919 MLZIVUWBGTUGFC-ROUUACIJSA-N 430.553 2.178 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C1 1624819025 DZHATHZMFOZZFR-WCQYABFASA-N 427.427 2.266 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C)c1cc[nH]n1 1625666596 GHWAUZLVLHIZOV-ROUUACIJSA-N 428.489 2.194 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1625694174 KLNORUPVOBKYOM-UHFFFAOYSA-N 444.580 2.446 30 10 IEEE CC(C)(O)CN1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1627476862 NEJKIAGVASCIRZ-HXUWFJFHSA-N 442.560 2.308 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(N4CCOC4=O)CC3)C2)C1 1630334992 BEWYOJCBLYUODM-JXORXQGFSA-N 432.521 2.216 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 1631546806 KDTQEICLMSDMSN-WBVHZDCISA-N 435.546 2.116 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1 1634464458 CBWVSIJCJUVKII-GAJHUEQPSA-N 447.507 2.109 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)c1 1635879022 FYJAWAVUXUYRHB-QGZVFWFLSA-N 437.562 2.411 30 10 IEEE C=CCNc1ncc(C(=O)N2CCC(n3nncc3I)CC2)s1 1641462692 DKJBNFFRMHHZSY-UHFFFAOYSA-N 444.302 2.414 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CCCO1 1649557221 AVWICICYKNUVIH-IAGOWNOFSA-N 443.552 2.245 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)n(Cc2ccco2)c1C 1659741112 HSKXYWGDCBZAAG-MSOLQXFVSA-N 430.530 2.208 30 10 IEEE COC(=O)C[C@@H](CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C1CC1 1682728536 ZFRBYVRPCKZAAI-KRWDZBQOSA-N 438.532 2.456 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 1686549198 ZDQRPQGQRANMBA-WOJBJXKFSA-N 426.561 2.030 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1689849940 UQYLWHWXWQIZBI-ZFWWWQNUSA-N 434.342 2.127 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCCCO1 1689951471 YYYIGJPVPUJQKO-SFHVURJKSA-N 431.562 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1CCO[C@H](C)C1 1690092652 PWPXTFAUGFLCAA-MSOLQXFVSA-N 426.521 2.217 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690183207 PQXMFGLVBYMKLZ-LJQANCHMSA-N 443.621 2.199 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1690201230 BEFDMZXRVHPCES-VGOFRKELSA-N 443.573 2.370 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690311478 LQCQHTCRZLAKRU-QFIPXVFZSA-N 446.640 2.370 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690497365 OEEMEAFNJNVIJM-HSZRJFAPSA-N 443.523 2.344 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1690526748 DBQBRQGKWDUEMM-LJQANCHMSA-N 433.578 2.093 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1690609062 BAZUNRMKVFCRCP-LJQANCHMSA-N 445.589 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C1 1690686102 JEVXHGIWDJURCC-QGZVFWFLSA-N 433.578 2.335 30 10 IEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 1694484658 CCGNJORJFYPNMG-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1695045045 FZYFMALYXGFELZ-JTSKRJEESA-N 427.505 2.279 30 10 IEEE CCOC1CC(O)(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@H](C)CC#N)C1 1696197204 IELPJSROMBYBIB-RMQYNXQMSA-N 427.505 2.385 30 10 IEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)(C)C 1697152683 HBPKUZLHZNKNFX-WOJBJXKFSA-N 440.548 2.219 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1Cl 1698172639 XIVCAWHOPVXYPY-HZPDHXFCSA-N 435.912 2.463 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1705479019 IHBJKTUQHLBVQE-FDDCHVKYSA-N 425.533 2.127 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705499107 LLCHHSPXNJQYES-IEBWSBKVSA-N 428.606 2.331 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705661184 USENAJZDAASYNR-SFHVURJKSA-N 436.578 2.388 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)C(C)(C)C1 1705895413 GOFXQWFJNTUSLR-AWEZNQCLSA-N 437.342 2.199 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](OCC=C)C1 1705900825 QXCHBTSYNKFLLM-HXUWFJFHSA-N 433.516 2.214 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1706074757 DDCKDLSSYYQEJK-MOPGFXCFSA-N 436.626 2.432 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1706074895 GOPCSOKUQRWLJH-AYBZRNKSSA-N 448.568 2.218 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1708342272 CUULDNFDOIYBOW-QMHKHESXSA-N 440.548 2.085 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](F)COC)c2ccccc2c1=O 1710301725 MKTVXMLEOCFAKJ-HUUCEWRRSA-N 427.484 2.398 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1711300121 AVNMWHPQOGMLEH-YOEHRIQHSA-N 430.603 2.484 30 10 IEEE COC1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1712038505 FRPAUYCPZFGKCA-UEWYOLLUSA-N 433.553 2.253 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722371063 GRJXCOGFTCACDN-OFNKIYASSA-N 442.585 2.259 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC[C@H]1CCCO1 1722384508 RIFLIINOAGHQLG-DENIHFKCSA-N 436.512 2.449 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722385796 OYTAZSXYFYPUAI-SLFFLAALSA-N 439.560 2.328 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CSC)c1 1722390832 VEJNRFFYIWLYOL-KRWDZBQOSA-N 445.614 2.263 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccn(C)n2)CC1 1722443115 NLRCIMWJRRDXJO-UHFFFAOYSA-N 431.544 2.255 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722459287 HHAJCRKFVHSIHQ-DLBZAZTESA-N 440.635 2.331 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1722573053 MZCHLJBMQSTTIR-UHFFFAOYSA-N 443.573 2.390 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1722625117 NZACBNHGKOKTDK-GOSISDBHSA-N 435.532 2.390 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722628534 XYDREFADFKLCKZ-INIZCTEOSA-N 447.565 2.081 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(CC)C2)C1 1722709612 UHTPNKQLZVGNCJ-ZWKOTPCHSA-N 425.537 2.049 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1723885365 FXJJROGSHGVHIM-LBPRGKRZSA-N 434.909 2.376 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1Cc1cn(C2COC2)nn1 1727410310 LYCRFZIXQPWDPR-INIZCTEOSA-N 436.520 2.369 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCSC1 1729369974 UVQUARTZZNWTKT-DYESRHJHSA-N 429.546 2.476 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c(-c3cnccn3)nnc2N(CCC#N)CC2CC2)cc1 1730991308 DQEXFYZZIOKIQU-UHFFFAOYSA-N 437.529 2.317 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740532253 ZBVBNTWMJMUGFK-KRWDZBQOSA-N 432.532 2.218 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCOCC(F)F)c1 1740563753 XGKMODDXWZOLAT-UHFFFAOYSA-N 441.442 2.073 30 10 IEEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCOC1 1740643689 QQLVHAOGIJRIBT-HSZRJFAPSA-N 442.947 2.476 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1740645117 HGADXOQBZNPPSP-SFHVURJKSA-N 431.537 2.086 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnc(C)s1 1740681485 NJLQUODKQGBLJT-UHFFFAOYSA-N 428.518 2.257 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCC[C@H]2C)CC1 1740700146 HGXJLFAXRASFBR-WZONZLPQSA-N 427.524 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(CC)C(C)C)CC1 1740705801 MFGGJIPKCJOJGN-HXUWFJFHSA-N 430.597 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccsc2)CC1 1740709843 MIVDSZZNEBFHAZ-XMSQKQJNSA-N 443.573 2.065 30 10 IEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740823232 ASOYYFPBMAMUPD-DLBZAZTESA-N 447.502 2.422 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2OCC[C@H]2C)C1 1740983547 KPYYHVHJWMXEDZ-IXDOHACOSA-N 431.562 2.476 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCn2ccnc21 1747997643 RDMHHNSZOUNQTF-GOSISDBHSA-N 439.545 2.072 30 10 IEEE C#CCN(c1nnc(C)n1CCCc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1748805375 QPIGRJMWSLKCAD-IBGZPJMESA-N 446.573 2.253 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CSCCS1 1748830958 BMRPADUQVJHLPW-KRWDZBQOSA-N 446.623 2.270 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nc2c(s1)CCCC2 1748960952 SEHGKNVRUQRSAA-KRWDZBQOSA-N 442.589 2.283 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749456887 MULREQWBFOSNMI-HXUWFJFHSA-N 449.559 2.410 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749721130 AULOAVOFUOAVQZ-UHFFFAOYSA-N 449.577 2.175 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749760116 CDLXLAFUKJMXCF-INIZCTEOSA-N 436.582 2.035 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750068900 GRJUJHNKOTYOLU-HZPDHXFCSA-N 441.561 2.304 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1750456320 BCVJXLKCXFYLSR-LJQANCHMSA-N 448.531 2.221 30 10 IEEE CC(C)OCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1751047120 HDJXNODESBCTGF-IBGZPJMESA-N 425.537 2.190 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1751094260 GUZFBMNBYPSZPV-HZPDHXFCSA-N 443.556 2.308 30 10 IEEE Cc1ccc(C(=O)NCCn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1F 1751441174 BHGWEABDTNFKLP-UHFFFAOYSA-N 448.506 2.057 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CS(C)(=O)=O)CC1 1760111306 ZCYASTORAJCXAB-KRWDZBQOSA-N 438.557 2.414 30 10 IEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760139730 MXMPICJCZTUTBV-IBGZPJMESA-N 430.574 2.499 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760155580 BVFLFGBQFWDFQE-IBGZPJMESA-N 440.548 2.407 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1760171661 GMDAHJREEYNEBQ-KRWDZBQOSA-N 427.553 2.438 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CCOC)CC1 1760404689 GNAUNYDEVSHUCZ-NRFANRHFSA-N 433.578 2.460 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1760406067 QOOCPUVBDUJZIM-VQTJNVASSA-N 430.597 2.475 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760433218 CDGGURUEEVMASQ-QGZVFWFLSA-N 426.521 2.485 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760524019 NEFCSUPKCZWQIY-UHFFFAOYSA-N 427.553 2.165 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1760568128 ZHYOBLHOLZKYRI-UHFFFAOYSA-N 439.589 2.494 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1766813675 ALHWNZVNUHPULX-SFHVURJKSA-N 429.546 2.399 30 10 IEEE COCCCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1769746840 PWIPYBSGWIZOMH-QFIPXVFZSA-N 444.511 2.322 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCCCCO)CCO2)c1 1771531802 DBINCHLPEMWTSP-FQEVSTJZSA-N 438.532 2.126 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCCN(c3nccc(C(F)(F)F)n3)CC1)OCO2 1852441409 YYXPGSDWBSGWCA-UHFFFAOYSA-N 433.390 2.377 30 10 IEEE CC(=O)CCCN1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1856830015 QUUMSQMRBYAQOP-SFHVURJKSA-N 430.936 2.134 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)CSc3ccc(F)cc3)C2=O)C1 1857108201 MKIZWTWCQCVNEZ-SFHVURJKSA-N 426.473 2.075 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2OC)cc1 1859011093 ORFTXUIZCVECJA-UHFFFAOYSA-N 448.497 2.034 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1862677438 BRMQPVPQQLRFSI-GOSISDBHSA-N 426.400 2.238 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)ccc1O 1862754037 BTWIBZVCMNTNEP-GOSISDBHSA-N 428.397 2.270 30 10 IEEE CC(C)[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782477 JDFVIOWEPJPILU-UYAOXDASSA-N 432.590 2.149 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1 1869041206 DCZWIZUFJKLPBJ-CJNGLKHVSA-N 447.337 2.190 30 10 IEEE C#CCOc1cn(CCCCN2CCCC2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870563876 RRQGTIPSFLDNLE-UHFFFAOYSA-N 444.576 2.010 30 10 IEEE C=CCOc1cn(CCCCCO)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1870812285 AZKXULMWQTUIBX-UHFFFAOYSA-N 425.485 2.414 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602181 FGVJRAUIQLAZPC-UHFFFAOYSA-N 437.592 2.388 30 10 IEEE Cc1nc([C@H](C#N)C(=O)CN2CCN(c3ccccc3F)CC2)sc1C(=O)N(C)C 1872797165 BBUJHZWIASSMAQ-OAHLLOKOSA-N 429.521 2.291 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)(CO1)C2 1964763775 MQZZPPYLANMUNC-HLJPNSHOSA-N 440.544 2.297 30 10 IEEE CC(C)(C)OC(=O)N(CCNS(=O)(=O)N1CCC[C@H](C#N)C1)OCc1ccccc1 1982313324 GMOVFFNBVRRPFE-GOSISDBHSA-N 438.550 2.425 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065463378 JCHZIEVOMQSLAA-QGZVFWFLSA-N 434.342 2.142 30 10 IEEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2195275453 XDVDQFVRHQMDFQ-BMQTXXJKSA-N 439.530 2.277 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NCCNC(=O)OCc3ccccc3)c(O)c2)OC1(C)C 2243440172 XTEVTRRPIYLGCC-UHFFFAOYSA-N 440.305 2.348 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)C1 2255154954 AHVZHANYQBTLLP-RTUSWVIPSA-N 443.466 2.351 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255541734 HFPWKJTYFRATTM-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632271 KYZZLWBBXUDVFJ-NRFANRHFSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255656418 ZZGMSGQCPGZJFB-QKDCVEJESA-N 432.326 2.422 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255863310 VZJMSQIQMDWKIK-KBMXLJTQSA-N 431.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2255872063 RIQFLDRWEKWXSS-AOMKIAJQSA-N 434.342 2.154 30 10 IEEE CCCN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267012592 WULUMJMKLRWWLW-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126591 BRIDQBBMUKTLJQ-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267128260 PHZRAZJBFPYPFT-GJZGRUSLSA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267139975 MYFQYDQQXYYZJK-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267140261 PFWUYGXKKXHDKD-GASCZTMLSA-N 446.357 2.038 30 10 IEEE CCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178891 INRVNEHJZFFZPF-SHTZXODSSA-N 448.373 2.235 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267183646 HJBAAJMXGZIZLT-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H]2C[C@@H]21 2267494394 DVCUJIUBDXPIIH-CVEARBPZSA-N 447.316 2.354 30 10 IEEE Cn1cc(C(=O)N2CCCN(Cc3ccccc3)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267517258 PPWXYRVIIVGYEI-UHFFFAOYSA-N 438.381 2.458 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1c(OC)cccc1B1OC(C)(C)C(C)(C)O1 2267522934 YHQHLGAXQHUWED-UHFFFAOYSA-N 438.333 2.383 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2267525882 KHNNMSBIVDCPHC-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267527039 AOVBNAMGIKGZKC-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267555191 KUKWUSSOKVQSQI-JMSVASOKSA-N 444.259 2.496 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267597984 YGOPZKRDMKAFPM-KYJSFNMBSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872578 JRBNSSVCPXJIHJ-GJZGRUSLSA-N 446.357 2.199 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876496 NDXCXGTUDVDYRL-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268613663 XLIZGTRRZPVGQK-UHFFFAOYSA-N 447.276 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268709671 LROBORDFFHSBPX-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278733034 PLXFWYUSWPHZIW-GOSISDBHSA-N 442.331 2.452 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2296221433 IPFRHUJZKFJBBU-KURKYZTESA-N 439.350 2.385 30 10 IEEE C#C[C@H](C)N1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 2315337860 ZQWLXULFAGHJJI-ICSRJNTNSA-N 443.544 2.179 30 10 IEEE COc1cc([N+](=O)[O-])cc(C=Nn2c(S)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 2322123067 OWCUHJWLSVJHHN-NSHDSACASA-N 434.478 2.186 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(N(C)C)cc2)CC1=O 2329045349 OBJORTRFFFCTCP-QGZVFWFLSA-N 430.578 2.425 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334261815 HPTAUVWMXZUHEL-UGQVUOCMSA-N 446.357 2.131 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1C 2337190509 OPWZBDWJTARYQF-CYBMUJFWSA-N 448.373 2.013 30 10 IEEE O=C(C1=CCS(=O)(=O)CC1)[C@H](O)c1ccc(Cl)cc1I 2375322223 GNHLBTNHEPJLDB-CYBMUJFWSA-N 426.659 2.292 30 10 IEEE C=CCn1c(SCC(=O)OCC)nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c1=O 9474202 PKWNVAABZVSTFI-OAHLLOKOSA-N 431.514 2.147 30 10 IEEE COc1ccc(NC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)c(OC)c1 20618087 AFGJIWNPBVDDEM-WMZOPIPTSA-N 447.538 2.446 30 10 IEEE C[C@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 26601348 PVWMKGBVJMRUFU-LBPRGKRZSA-N 436.493 2.468 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3OC)n2)s1 59310595 OJRVXNZRZKBRGY-QGMBQPNBSA-N 448.534 2.413 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cn1 59831853 XXXMWVVPSQPSBN-AWQFTUOYSA-N 442.505 2.381 30 10 IEEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 427701007 GPSMGTYNNRQHBT-QFIPXVFZSA-N 435.871 2.743 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC1 429004846 FOKZMVIWDSYDSH-OAQYLSRUSA-N 436.585 2.402 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)cc2)nc1 434008169 KXAMDLVHVSFXLA-GOSISDBHSA-N 426.498 2.386 30 10 IEEE CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccnc1 435411167 KRMLXWUUSKCNMM-FQEVSTJZSA-N 441.557 2.409 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2cccc(OCCN3CCOCC3)c2)cn1 462085286 SLDYZGJWHRRVJZ-UHFFFAOYSA-N 447.499 2.172 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 462569923 IAEMGYJXIUABEK-MRXNPFEDSA-N 445.463 2.369 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC1 467478881 WZIXIIBEPNYXMO-UHFFFAOYSA-N 447.451 2.419 30 10 IEEE CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 481336360 BRAXBWBUMBSCPG-HKUYNNGSSA-N 434.562 2.168 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 486192173 QWPHCWQBGNLBMD-UHFFFAOYSA-N 426.424 2.339 30 10 IEEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 508794669 LQBHXMUQENSDRT-SFHVURJKSA-N 444.555 2.242 30 10 IEEE N#CCCN(CCN1CCOCC1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 533446947 QKVLHNDBEMATQL-UHFFFAOYSA-N 444.517 2.205 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2C[C@@H]2CCCO2)c1 549870321 BAQVUWNOUWQOAS-FQEVSTJZSA-N 443.511 2.353 30 10 IEEE CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2 551677609 XUHJCIMVJNGMCV-NRFANRHFSA-N 435.546 2.083 30 10 IEEE COc1ccc(-n2cc(CNS(=O)(=O)c3cccc(Br)c3C#N)nn2)cc1 553424805 UNUKRCBECOWKOW-UHFFFAOYSA-N 448.302 2.389 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 558983008 LYDIQVAYUVDLJS-IRXDYDNUSA-N 430.578 2.003 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCN(CCOC)C(=O)C1 562023382 YKMFDURHJYCLEV-FPOVZHCZSA-N 425.533 2.394 30 10 IEEE COc1cc(CNC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1C#N 569980313 MWWUCOIRUQWNJM-UHFFFAOYSA-N 428.514 2.173 30 10 IEEE COc1ccc(S(=O)(=O)NC2CC2)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 603973661 GNVPINDEGNFXDW-UHFFFAOYSA-N 441.918 2.462 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 611931710 MSMIQRIQYNXBLT-HOTGVXAUSA-N 430.530 2.329 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 611931712 MSMIQRIQYNXBLT-JKSUJKDBSA-N 430.530 2.329 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)O 708103002 JAVJGURIKDLYDZ-LLVKDONJSA-N 427.114 2.273 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN(c3cccnn3)CC2)cc1OC 725737851 QXEKMCIOBDILSZ-UHFFFAOYSA-N 427.505 2.363 30 10 IEEE C#CCN(C(=O)c1ccc(I)cc1Cl)[C@H]1CCS(=O)(=O)C1 729333074 KHKOLEBNSLOTAD-NSHDSACASA-N 437.686 2.207 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CCN1C1CC1 732664208 LWWKYFGBHUURDK-KRWDZBQOSA-N 428.489 2.439 30 10 IEEE CN(C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1)c1ccccc1 732706786 PHLZJNMTROTFMI-QFIPXVFZSA-N 445.523 2.029 30 10 IEEE CN(CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCN(c2ccccc2F)C1=O 732800116 XWCDAMVLPDVMSO-XXBNENTESA-N 435.459 2.159 30 10 IEEE COC(=O)CCN(Cc1ccccc1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742580297 KVQYKIXKGZTSCV-INIZCTEOSA-N 443.525 2.096 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@]2(C)CCCO2)C1=O 756072829 XDCOIORKRQHWLN-LAUBAEHRSA-N 436.553 2.394 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H]1CCO[C@H]1C(=O)O 757479334 KQYHPOLFVXFWTK-QMHKHESXSA-N 448.475 2.134 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N 763276337 HKWDUVJEQDTCRD-OAHLLOKOSA-N 428.496 2.445 30 10 IEEE C=CCOCCNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 780030003 SKPNQFANKMJNEC-KRWDZBQOSA-N 430.530 2.041 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)c2ccncc2OC)C1=O 783507551 ILJQLBDYTFDHJJ-SJKOYZFVSA-N 441.513 2.018 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)OCC(=O)NC2(C#N)CCC2)[C@H]2CCCO[C@H]2C1(C)C 784244041 KYDNBMMUVWFWRR-PGKMIFDNSA-N 435.521 2.191 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)n1 789066864 TXCRQZVSHNZRRR-IBGZPJMESA-N 429.908 2.133 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1C[C@H]1CCCO1 812251178 MPASASHAJGKVDW-PKOBYXMFSA-N 443.573 2.367 30 10 IEEE Cc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1S(=O)(=O)NCC#N 856559797 JFPKMYLAHQVKOU-QGZVFWFLSA-N 443.529 2.353 30 10 IEEE COc1cc(OC)c(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(OC)c1 918231024 SFOMFOOVMWLCMG-UHFFFAOYSA-N 441.488 2.481 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1 1084028591 VYLISGBLUQTSJU-UHFFFAOYSA-N 449.443 2.161 30 10 IEEE CCOc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cnn(CCOC)c2)n1 1084261885 MQROOXWAJSTYPW-UHFFFAOYSA-N 444.521 2.223 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCc1cccc(Cl)c1 1084434757 DOMNLKCMJSDVOH-UHFFFAOYSA-N 431.909 2.205 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1138042237 CDXPMLXQUIZNOT-UHFFFAOYSA-N 426.542 2.438 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H](N(C)C)C12CCC2 1149196553 TXIJMNPLOBKLDP-UHOSZYNNSA-N 432.590 2.129 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N(C)[C@H]1CCC[C@@H]1C#N 1151299194 BIGDFJDBURQZBI-UZLBHIALSA-N 429.546 2.220 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)c2ccccc2Br)CC1 1171178857 HJRRTGGUIHNCFD-RTBURBONSA-N 437.382 2.107 30 10 IEEE C[S@@](=N)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 1175955248 JGNZZNIHLLSDPR-HKBQPEDESA-N 440.573 2.375 30 10 IEEE N#CCOc1ccc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 1214342529 DXYUEUXSEWHRQA-LJQANCHMSA-N 444.513 2.368 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 1254598891 JWEQQVNAFAIWDK-CVEARBPZSA-N 428.938 2.214 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2csc(I)n2)c1 1264688064 VTHGNQNDXNNNMQ-UHFFFAOYSA-N 425.251 2.440 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1286273857 KPUILKXSKSPQJC-OAHLLOKOSA-N 427.509 2.298 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286287463 OARQWFLCGIAUIP-IBGZPJMESA-N 430.560 2.383 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCC(C)CC1 1286434249 VLYGWEKWUVIVKY-UHFFFAOYSA-N 438.601 2.464 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1286441920 GWJSRFWSEDISAL-UHFFFAOYSA-N 428.562 2.224 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCCN2CCCC2)CC1 1286494646 VUNZDSIVQXQOIM-OAQYLSRUSA-N 442.608 2.014 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCN1CCCS1(=O)=O 1286745882 KESIPXRRJCAVLZ-LJQANCHMSA-N 431.562 2.010 30 10 IEEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286761272 ZRGGNTSMNLQUCW-QFIPXVFZSA-N 446.573 2.202 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2)CC1 1286790377 QQTBEAHYQYEKPU-UHFFFAOYSA-N 437.573 2.263 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@](C)=O)CCC2)C1 1286814223 NPSODESJMPEIMT-MXVOIOKFSA-N 438.594 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CC)C1 1286824196 WWIBWVDCZCBFPI-QGZVFWFLSA-N 438.525 2.212 30 10 IEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 1287156471 OFMQCGKDSURBEM-COPCDDAFSA-N 438.576 2.381 30 10 IEEE C[C@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C(=O)OC(C)(C)C)CC3=O)c(C#N)cc2C1 1289758101 USXOPGSRUNCIBN-LSDHHAIUSA-N 441.532 2.484 30 10 IEEE CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cn1 1295409366 DCPNADMBKBPQCL-OAQYLSRUSA-N 428.516 2.148 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1296390452 AFFINKZNZSAJKC-MGPUTAFESA-N 430.488 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC1CC1 1300521116 SQXKNCWRXMYBEV-UHFFFAOYSA-N 444.308 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1300570005 WJHCFGHUAATSGX-RBBKRZOGSA-N 442.527 2.365 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1300692714 LZKYOJDJUAGOPA-HSZRJFAPSA-N 435.601 2.009 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCC(=O)NCCC)CC1 1300693074 RHVSZTNQEKBGBL-UHFFFAOYSA-N 431.544 2.165 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301231229 FDLFSZMCJHCVPL-CABCVRRESA-N 430.534 2.171 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccs2)C1 1301557969 RZIPHGPEJNOJLN-SJORKVTESA-N 431.562 2.445 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301615700 TZJFAMGTOIEVJE-SFHVURJKSA-N 427.578 2.223 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1303877206 OBBMTALRPRNABX-UHFFFAOYSA-N 431.452 2.240 30 10 IEEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1304194230 UDPXYJRZBVOPLP-HXUWFJFHSA-N 425.397 2.266 30 10 IEEE C[C@@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 1304555276 CGTWFYCAOXNSHS-OAQYLSRUSA-N 443.345 2.310 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 1309035935 VRGXBDQJJLRKEV-UHFFFAOYSA-N 427.570 2.428 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2OC(C)C)CCOC1 1314138802 FBBOOAZNZANAOB-AUSIDOKSSA-N 441.532 2.494 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1314157753 FEWQUKOUHANGLC-LAUBAEHRSA-N 447.536 2.378 30 10 IEEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1315973330 FMJHLIICMMIJQW-NFBKMPQASA-N 440.548 2.115 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)C[C@@H]1O 1316480638 RHTKVIZYRYSTFK-APWZRJJASA-N 431.562 2.239 30 10 IEEE Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c2ncccc12 1354749386 LQXSHEWDNRURQZ-HKOYGPOVSA-N 426.502 2.191 30 10 IEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1358923758 ZXELXHZYXLDKFI-UHFFFAOYSA-N 449.577 2.137 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1358949626 IZWCVSVEBMPBHV-WFXMLNOXSA-N 425.533 2.359 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358957960 DRGQITSSMNPYSK-GOSISDBHSA-N 432.546 2.005 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(F)CCC2)CC1 1359032047 ZCEYIMVEQLUHQB-UHFFFAOYSA-N 445.564 2.386 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(C)COCCO2)CCOC1 1360340783 FNWPQXYVWMGCJW-BHDDXSALSA-N 433.553 2.254 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)cc2[N+](=O)[O-])CC1 1435380966 RLXPSFAZJAMMPP-UHFFFAOYSA-N 439.476 2.339 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2Br)cc1 1451417320 WJNPIJCGVAUWOV-QGZVFWFLSA-N 439.331 2.377 30 10 IEEE COC[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCOCC1 1460408230 IDZOGGAQHKJHLN-WIYYLYMNSA-N 444.576 2.387 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NCc1ccc(Br)cc1N1CCOCC1 1461742545 DXPXERXJOCKRET-UHFFFAOYSA-N 447.337 2.329 30 10 IEEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1462749324 GWGGEUIVQQOIGE-IBGZPJMESA-N 429.498 2.053 30 10 IEEE Cc1c(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)sc2ccc(C#N)cc12 1463328741 AFVSARGFTIXNBB-UKRRQHHQSA-N 427.573 2.078 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(C#N)c(F)c2)c1 1463880121 DVPLLVRCVAATKA-UHFFFAOYSA-N 425.507 2.206 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 1466679834 IEBFQNDCICZHDP-HKUYNNGSSA-N 447.557 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCN(C(=O)C4CC4)CC3)C2)C1 1466921006 CWSXWBJRQJRSSQ-FRIYVGAWSA-N 430.549 2.244 30 10 IEEE C#CC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 1468557660 IGDMIAMNYFKVQZ-OAHLLOKOSA-N 431.470 2.126 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1492907756 FQZWLUSPIVOICH-QZTJIDSGSA-N 438.580 2.068 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1492949084 PZPVTSMYIJCVNQ-VQTJNVASSA-N 446.502 2.392 30 10 IEEE C[C@H]1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 1493302847 BNXJRVSLNCPKMM-WFNPHZEWSA-N 438.598 2.222 30 10 IEEE CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1499600883 IJLBICNIXWOQPB-JLUOLNIDSA-N 428.537 2.325 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1503641755 UBKJHMSLNLFBIP-KRWDZBQOSA-N 444.561 2.409 30 10 IEEE COC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)OC 1504579100 AJBHPOATYYPGCO-MSOLQXFVSA-N 445.520 2.131 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)(F)F)cc1 1505319588 BHBSUCPIRNZVFA-MRXNPFEDSA-N 436.394 2.384 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507572775 XDQAKUWCICPSCG-OAHLLOKOSA-N 435.454 2.412 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507622341 HRQKIEUSBQCWJN-ZIAGYGMSSA-N 438.504 2.194 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1507634651 OOEMDEBVFOVEQH-HXUWFJFHSA-N 430.574 2.298 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccc(C)cc1 1507701762 AOTOIAJHNLMAJT-IBGZPJMESA-N 425.533 2.376 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1507751051 CQSQQFJGDQITJS-LJQANCHMSA-N 447.565 2.047 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1508010574 ADBLPYMJSJDOQA-MRXNPFEDSA-N 449.602 2.089 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@H]1C 1509214881 DCBNNWBCJUXLAR-MOPGFXCFSA-N 437.596 2.338 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1514015580 AJWBEUKOJGPJDP-YLIUKNOZSA-N 435.532 2.415 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)c1 1518373468 FWJHJWSYYWODRM-GOSISDBHSA-N 427.486 2.090 30 10 IEEE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccc(C#N)nc2)c(O)nc1=O 1521635728 NGSVXOYSEFSXHZ-UHFFFAOYSA-N 432.484 2.374 30 10 IEEE CN1CC(=O)Nc2cc(C(=O)Oc3ccc(C#N)cc3I)cnc21 1524634127 GNJANIYJFMNOFC-UHFFFAOYSA-N 434.193 2.165 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1529107494 QJGICWAIXPKIFB-IBGZPJMESA-N 444.532 2.362 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@H]32)ccc1F 1531640188 HCOIXZGCZRGRSI-XYJFISCASA-N 438.521 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1539333395 CIVURORVUCIWJK-XUZZJYLKSA-N 436.560 2.331 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)N(C)C)CC1 1539435774 ADPUDCFBLMLMCE-LJQANCHMSA-N 440.592 2.446 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(CC)C(C)C)CC1 1539462513 WPEILNUMSLWAKG-UHFFFAOYSA-N 428.556 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)CC)CC1 1539488696 NOXYLCCDUHHRJH-DEOSSOPVSA-N 439.560 2.292 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)[C@H](C)C1 1539525112 SURRMSFCOLSSDT-MRXNPFEDSA-N 434.635 2.157 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539525672 AFMZCJPQGJWLFH-QGZVFWFLSA-N 434.587 2.155 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CC(C)C 1540870291 JLOWXFFFVVPTMI-UHFFFAOYSA-N 426.569 2.237 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1547080431 LSDVURIGYVMGME-UYAOXDASSA-N 438.532 2.260 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CCOC)CCCC2)CCOC1 1547918447 FKSLINLNOIYTPO-PGRDOPGGSA-N 433.553 2.256 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)N(CC(F)(F)F)[C@H](C)C2)ccc1F 1558696617 NRQOJMXBZJJSKI-BETUJISGSA-N 437.459 2.387 30 10 IEEE CC(C)N1CCC(NC(=O)Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)CC1 1559442338 BUIXBMXZOKCQDT-UHFFFAOYSA-N 447.583 2.267 30 10 IEEE C=CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1559541693 CVESZKAAFFXYDS-UHFFFAOYSA-N 431.602 2.296 30 10 IEEE CN1C(=O)CO[C@H](C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H]1c1cccnc1 1585120064 VCDANILFEGIEGZ-PKTZIBPZSA-N 447.495 2.202 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 1587496013 BQOLYAASWNGOIS-DCLXLUIPSA-N 440.544 2.421 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588045782 QLBAXIJPWDSMOS-HZPDHXFCSA-N 442.570 2.227 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1588139853 RZXPXHYGTPFXEZ-LJQANCHMSA-N 435.553 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CC[C@H](O)C1 1588214269 OJNLWMNIPGZLDM-QFIPXVFZSA-N 428.540 2.351 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1588267015 ZTXOEDOQHCJURJ-IEBWSBKVSA-N 436.626 2.145 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCC2)CC1 1588864259 BBCAQAVOUHDGIM-UHFFFAOYSA-N 434.544 2.301 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1593741163 JTXIVUWOZHFJPH-ZWKOTPCHSA-N 441.532 2.488 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)C1 1595729718 OCZMZZZARQKCBR-LPHOPBHVSA-N 427.505 2.050 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@H]1C 1595766033 KOWZSBDMQGSYEK-CQSZACIVSA-N 442.488 2.372 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1597052961 BQNCDXMWKBCBQQ-WBVHZDCISA-N 428.485 2.440 30 10 IEEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1597180510 BPVTXACTICZFNQ-UDJKBAMHSA-N 436.520 2.134 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCO[C@H](C)C1 1616922549 DIMDSZJNZKVKDI-MSOLQXFVSA-N 425.537 2.223 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1C[C@H](C)O[C@@H](C)C1 1620019363 MVUKCDNWICVBAW-LXGFNABISA-N 446.596 2.382 30 10 IEEE CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1620162844 HTORXDGWTORWKR-FQEVSTJZSA-N 441.557 2.382 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1OC 1623535421 GXYDRUHSHORXIW-CLFYSBASSA-N 430.501 2.191 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NCCC(=O)NCCC(=O)OC 1625542577 NJFSQNLVSMVZTO-UHFFFAOYSA-N 428.283 2.205 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3C(=O)NCC(F)F)CC2=O)cc1Cl 1627777823 CRBVJGRYIAFRCQ-CJNGLKHVSA-N 438.862 2.327 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3cc(=O)n4ccccc4n3)C2)C1 1631867584 KQFWZTNFPQFHEB-PMFMOCITSA-N 437.500 2.098 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(I)cc2O)n1 1634601597 QBFBVOBUGLDYRN-UHFFFAOYSA-N 439.253 2.115 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1 1635028250 XGGUNUVNKWPARW-PZJWPPBQSA-N 446.475 2.464 30 10 IEEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1639900815 OEXMJUNQKKTRFK-WGDIFIGCSA-N 435.347 2.412 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3ccc(C#N)cn3)nn2)CC1 1642038296 TWBOXKOWAUWHDD-KRWDZBQOSA-N 425.493 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(Cc4cncc(C#N)c4)CC[C@@H]32)CC1 1646178342 NOVIUOZKKBVFHJ-PMACEKPBSA-N 440.548 2.321 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(-n3ncc(C#N)c3N)cc1)CCS2 1646598627 BVECNKUSQLCMBT-PKAMJGAUSA-N 425.514 2.273 30 10 IEEE CN(CCc1nc2ccccc2[nH]1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1651095514 MQEFMBBATGRQKZ-UHFFFAOYSA-N 425.514 2.083 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1651505997 KXQSOJMVCYPGBF-QYZOEREBSA-N 449.592 2.458 30 10 IEEE CCOC(=O)c1nnn(C2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)c1C(F)F 1654471880 FKLRAACBGOSMJA-CYBMUJFWSA-N 426.468 2.037 30 10 IEEE Cc1nc(CC2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)no1 1654859433 BLPNULXSGNXDTK-NRFANRHFSA-N 440.523 2.181 30 10 IEEE Cn1ccnc1[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1 1663811604 FURZLWPWVOWNRT-SWLSCSKDSA-N 425.308 2.253 30 10 IEEE COC(=O)[C@@H](C)N(CC(F)F)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1666094025 DQUQZPKQWFAERS-SSDOTTSWSA-N 429.214 2.277 30 10 IEEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1670709741 LGQIRVWTCUFTOS-GFCCVEGCSA-N 430.313 2.246 30 10 IEEE C#C[C@@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 1682344922 OSAVHZRLVNUVFF-GOSISDBHSA-N 434.449 2.028 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2CCCO[C@@H](C)C2)c1 1689871855 HHWURASAKWWBMK-IBGZPJMESA-N 438.576 2.398 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N[C@@H](C)CC 1690004726 DDLPVZXDXWXTEW-AWEZNQCLSA-N 431.338 2.413 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690129092 PHXJSKBEYZZMAW-FQEVSTJZSA-N 438.551 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690143765 AVPANSBGCKQLAZ-IBGZPJMESA-N 442.608 2.012 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(CC)CCS(C)(=O)=O 1690230521 HHHYADIGHJVYGY-UHFFFAOYSA-N 448.412 2.413 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 1690235880 FTWLXSCDMUQEQA-UYAOXDASSA-N 446.596 2.236 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Cn2cccn2)CC1 1690674262 UXDPHAHOKPKLEW-UHFFFAOYSA-N 440.577 2.049 30 10 IEEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1693249986 RDOSAJIOTLCBTG-PKOBYXMFSA-N 446.502 2.338 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H](OC)C(F)(F)F 1694740740 ZYFILUZVCPZEHX-HIFRSBDPSA-N 438.458 2.185 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1696454267 AYJIVKKVJYXCPP-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1697167246 AOVJVFRXMBPMSG-DNVCBOLYSA-N 426.521 2.378 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1697167247 AOVJVFRXMBPMSG-HNAYVOBHSA-N 426.521 2.378 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705544339 MRCIWKHGFQPVOK-UZUQRXQVSA-N 442.516 2.378 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)C1CC1 1705628488 IKARLVKNABFCOE-LEWJYISDSA-N 442.585 2.460 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(=O)OC)C1 1705656363 ZUYADLMPRAPKKX-LBPRGKRZSA-N 438.351 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCn2cccn2)nnc1[C@@]1(OCC)CCOC1 1705708636 FJOMQJFTWLODTK-CNNODRBYSA-N 430.553 2.244 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1705905100 JSAATRPZTGUQDI-HXUWFJFHSA-N 445.571 2.277 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705906907 SKOCMBLTZDACQZ-IAGOWNOFSA-N 429.521 2.172 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705950005 PEFAYYWJLMVCKH-UHOSZYNNSA-N 448.593 2.233 30 10 IEEE Cc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1707557957 AWNQEJAWSXRKAE-QGZVFWFLSA-N 446.577 2.406 30 10 IEEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1708266957 QJACUPSTDFIGFX-DSGGYQJVSA-N 449.540 2.285 30 10 IEEE CC[S@](=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1710909790 TUFPVYMNSNKDFC-HKBQPEDESA-N 435.557 2.307 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1722316115 BKJWHYCBTKVIPW-IBGZPJMESA-N 427.574 2.440 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722369402 YVWXWPCZVCDKLE-IBGZPJMESA-N 428.558 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCO[C@H]1C 1722378354 ARVBXYUXQIJZSS-SCLBCKFNSA-N 435.347 2.382 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1722428840 BWRCSEWXEUGAFQ-FPOVZHCZSA-N 444.624 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1722434984 CNKVLXMBCPEHMN-UHFFFAOYSA-N 443.555 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(N(C)C)CCCC2)CC1 1722445922 FOCLRZWMHRCUNA-UHFFFAOYSA-N 435.576 2.180 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722526574 YOXWJTBQVITHKS-BRWVUGGUSA-N 430.553 2.246 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722648692 VQWXSZWSDGFQFE-IBGZPJMESA-N 438.532 2.189 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@H]1C 1722659180 QIPXEXGEGFTBPJ-AOMKIAJQSA-N 431.512 2.288 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1722680558 QBXBAHKUPBDUPX-MAEOIBBWSA-N 445.568 2.469 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](SC)C(C)(C)C)C1 1722709896 BDYVIHUZWSVRQA-XHSDSOJGSA-N 445.655 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722726829 IPHQPAOFQBLMNO-UHFFFAOYSA-N 448.593 2.155 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1COCCO1 1722953821 WEYIBNWTEHAGOS-IBGZPJMESA-N 439.564 2.265 30 10 IEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)c1ccco1 1723961347 FFAQRUPYVSKMGD-HSZRJFAPSA-N 434.500 2.409 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1724017940 NTNJMEMDEYWJQG-JTSKRJEESA-N 426.496 2.256 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1730403064 FNOVCKBZIIYWRJ-PMACEKPBSA-N 438.532 2.074 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740618507 IRCCGYZHNIAGRF-OFNKIYASSA-N 442.585 2.295 30 10 IEEE C#CCN(c1nnc(COCC)n1CCC1Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1740627977 MCMWQLSAPYGANK-OAQYLSRUSA-N 442.585 2.246 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCN(C)C1 1740644148 VFIHONGHUCFXLF-RUZDIDTESA-N 435.572 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)NC 1740650852 PSFCVIVFPOXEHD-UHFFFAOYSA-N 444.333 2.315 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740699122 UYXDNRFHLNHGMT-XMMPIXPASA-N 448.615 2.467 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1740702187 XCDJSTOENBLTTO-UHFFFAOYSA-N 439.523 2.420 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)C2CC2)CC1 1740704190 LPPHAQZEVBPEHS-XMMPIXPASA-N 437.544 2.081 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)C(=O)C1 1740711637 PZIFORJMVCDMQE-UHFFFAOYSA-N 439.541 2.353 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1740862151 LLBRVZPJFDNMEH-KDURUIRLSA-N 438.532 2.398 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc2n1CCCCC2 1740904141 ZGKCSWPYGNDLNB-UHFFFAOYSA-N 440.577 2.452 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1740957384 LYARGEKHBPGNOD-SFHVURJKSA-N 447.543 2.298 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1740983135 BTFNEORGCJFGFF-NHCUHLMSSA-N 441.580 2.180 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1741019250 YBFVANMAEHXSPE-QGZVFWFLSA-N 432.475 2.403 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1NC(=O)CC1(C)C 1741684858 CXOYHQGXBVQAEB-QYZOEREBSA-N 449.559 2.075 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1741802424 IGNLQVDHGJZMQX-HKUYNNGSSA-N 440.548 2.426 30 10 IEEE CCN(CC)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1746128182 GRSIHWMPOIZZIW-QURGRASLSA-N 441.580 2.068 30 10 IEEE CCS(=O)(=O)NCCn1c(N2CCC(C#N)CC2)nnc1C1(c2ccccc2)CCC1 1747448835 NFAQHXZQJBEOCJ-UHFFFAOYSA-N 442.589 2.427 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1748710307 LZHQSGWCUTUXGS-UHFFFAOYSA-N 442.545 2.268 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1748752661 ZRYLBIBVJOHUBC-ZWKOTPCHSA-N 445.564 2.448 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1748809611 ONDFBDRFYXFVLV-QWNKOJSDSA-N 442.541 2.309 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1748819123 LBJZRHJKDASYRH-MRXNPFEDSA-N 446.479 2.415 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2)C1 1749020476 UPCZOCJOWHJNPR-SFHVURJKSA-N 439.589 2.356 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749109071 BOBNULOHYHPCMF-GOSISDBHSA-N 436.358 2.011 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749219888 VYLGXDVGGYIADD-HNNXBMFYSA-N 436.534 2.136 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749455379 UAEISYIZODWUMH-WIYYLYMNSA-N 426.565 2.398 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1749494370 QQDSKNGMUVDGJN-LJQANCHMSA-N 449.577 2.011 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749709166 OAENYBALYNSGCS-ZWKOTPCHSA-N 438.594 2.311 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCn1cc(CO)nn1 1760106633 FPRIVPZCKYHORS-CQSZACIVSA-N 444.337 2.340 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1760111216 KXYBICYQQSTSAJ-INIZCTEOSA-N 435.532 2.001 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(OC)c1 1760202061 RHFMAZYUEPVRCR-UHFFFAOYSA-N 433.468 2.144 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1760207405 HTRBBXUEIMANOS-BSRJHKFKSA-N 437.569 2.284 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCc2ccccc2C1 1760247864 SLMLVVDEQUCYSL-LJQANCHMSA-N 431.544 2.268 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOC2CCCC2)CC1 1760257067 NUCQWEGFKUVKPE-QHCPKHFHSA-N 431.581 2.035 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760359273 DMSSOGVMKZUSBD-FQEVSTJZSA-N 429.569 2.085 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CCOC)CC1 1760404691 GNAUNYDEVSHUCZ-OAQYLSRUSA-N 433.578 2.460 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)OC(C)(C)C1 1760519995 XBELBVDZOBDPOT-OAHLLOKOSA-N 427.505 2.022 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCO1 1761304062 LRPKOFHERKHYSK-SFTDATJTSA-N 441.532 2.252 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@@H]1C 1761880822 KCGNARGMQBMIJR-OALUTQOASA-N 438.580 2.106 30 10 IEEE CCN(CC)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1765015714 GGIBEMAMCKQQFD-MRXNPFEDSA-N 436.520 2.055 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCC[C@@H]1CO 1768700070 LUVUGSGHCMYCAK-JOCHJYFZSA-N 448.575 2.424 30 10 IEEE N#CC1CCN(C2CCN(C(=O)c3cc(N4C(=O)c5ccccc5C4=O)n[nH]3)CC2)CC1 1851096961 MAWRSVYLYMIPEB-UHFFFAOYSA-N 432.484 2.050 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851146915 XJSCCHQMYOBCND-IBGZPJMESA-N 443.548 2.408 30 10 IEEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)COc2ccccc2C#N)CC1 1852768158 QFJKVGLHVYFNSS-NRFANRHFSA-N 448.523 2.285 30 10 IEEE COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 1853079408 PPBWXADKALPSON-IBGZPJMESA-N 430.530 2.396 30 10 IEEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1853747471 VTPQRJHBOXBJDM-HXUWFJFHSA-N 431.558 2.302 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)c2ccccc2N(C(=O)CC#N)C1=O 1854150916 NFWCKQADBKAHDP-CQSZACIVSA-N 425.466 2.240 30 10 IEEE CCOc1ccccc1CCC(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855728236 XNRXDHKGIHOXKN-UHFFFAOYSA-N 427.482 2.251 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 1861302876 FLJCBKVVDMKUSS-JOCHJYFZSA-N 449.482 2.385 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@@H]2CO)=C(N)Oc2c1c(C)nn2CC 1865223891 HQFZSJMJUDQKGT-UZLBHIALSA-N 438.528 2.454 30 10 IEEE CCOC(=O)CCN(C)C(=O)[C@@H](CC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868794377 BTJIFEKGZNEODW-QZTJIDSGSA-N 448.589 2.331 30 10 IEEE COc1cccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 1870095150 ASYMMFTWSHZAGT-UHFFFAOYSA-N 429.458 2.025 30 10 IEEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870149291 IWLKNLZOZNRBIB-QGZVFWFLSA-N 429.484 2.192 30 10 IEEE Cc1c(C(=O)Nc2c(C#N)nnn2-c2ccc3c[nH]nc3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870155767 DKTGEPJUFWFFIX-UHFFFAOYSA-N 433.344 2.392 30 10 IEEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(O)CC2)cc1=O 1870387708 PSDNKEXAPDIIRQ-JOCHJYFZSA-N 427.545 2.378 30 10 IEEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(O)CC2)cc1=O 1870387709 PSDNKEXAPDIIRQ-QFIPXVFZSA-N 427.545 2.378 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CCC)CCC)cn1CCOCCO 1870463102 AZDOVDOXVGCIJU-UHFFFAOYSA-N 449.592 2.059 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN1CCN(C)CC1 1870647131 RYCBPKPCOPOERT-UHFFFAOYSA-N 438.528 2.002 30 10 IEEE CC(=O)NCc1nnc(SCCO)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874435965 GKUGHUBHPBGXAC-YDZHTSKRSA-N 425.514 2.460 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOCC1 1963651336 ITAOUUXXPVXQTK-LJQANCHMSA-N 428.533 2.297 30 10 IEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(C#N)cc1 2054366617 CKPMCJRALVAPMQ-UHFFFAOYSA-N 448.520 2.471 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)CC(O)C1 2068907018 FNOJYKNMURTBCE-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2124521389 GGNRUUUOCHNKJN-GDBMZVCRSA-N 449.361 2.466 30 10 IEEE N#C[C@H]1CCCN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2174784156 KVXRBSDPTBYLTP-UAFMIMERSA-N 432.546 2.246 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2224072088 GLGOXPNEPVFNFJ-RDJZCZTQSA-N 433.358 2.144 30 10 IEEE CC1(C)OB(c2ccc(NC3(C(N)=O)CCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2232307059 QCNZGJCXFDADTO-UHFFFAOYSA-N 436.365 2.313 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C)B1OC(C)(C)C(C)(C)O1 2243435859 YHAJSMKVENNQAX-HUUCEWRRSA-N 430.376 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2255523582 IGBNWLTVAIFCPK-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255808759 OBKRDWYPMRPCBR-YOEHRIQHSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2255861446 CEFSNMIHVGXBTL-HZPDHXFCSA-N 431.342 2.157 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C1 2266992005 NTYBCHNTYYTHFR-BXUZGUMPSA-N 444.259 2.416 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2267180365 CWXYXNZXZYDLBI-UYAOXDASSA-N 436.365 2.066 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268607830 QSDQSZDDSAHINX-GOSISDBHSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268781990 GNDCZQDNMIWNSR-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2282183702 JNYSISAPZLTSQZ-VQTJNVASSA-N 448.376 2.370 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322304599 VMAPFLJFYWASNN-AWEZNQCLSA-N 437.321 2.250 30 10 IEEE Cc1nc(NC(=O)[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2334390268 SDHWXGRPIXSYET-BMFZPTHFSA-N 444.341 2.278 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC[C@H]1C2 2343641662 CEZZETBEJGKDER-RCDICMHDSA-N 444.341 2.048 30 10 IEEE C[C@@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)Nc1sccc1C(N)=O 96915648 APKNJPUMAGYLGC-NAXAJZLFSA-N 447.435 2.074 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 427984172 OEZKPPLLEQBEGA-MBSDFSHPSA-N 440.569 2.396 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460943450 LMCMTMQMTDUTSH-CTNGQTDRSA-N 436.560 2.273 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cn1 461749604 VHIUEMZZRHXNHF-ROUUACIJSA-N 436.472 2.059 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1 462576532 GGESEHRWCVCYBL-UHFFFAOYSA-N 446.504 2.065 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 475806965 KYWBJBZHFSSJGT-UHFFFAOYSA-N 439.495 2.307 30 10 IEEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)c2)cc1 476807003 PYWPEMIKTHIADJ-NRFANRHFSA-N 448.479 2.185 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C2CC2)c1=O 478857586 TVZFHIMUNZYNCX-UHFFFAOYSA-N 443.569 2.025 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CCC 491601225 JSZNTNOEOOZOBT-UHFFFAOYSA-N 426.567 2.267 30 10 IEEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 508794668 LQBHXMUQENSDRT-GOSISDBHSA-N 444.555 2.242 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 508890046 VKIWUCYLRDPJHB-UHFFFAOYSA-N 439.501 2.382 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccccc3-n3cccn3)C2=O)cc1 510072146 OQXLKGGRZJVQFY-LJQANCHMSA-N 428.452 2.265 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1C[C@H]1CCCO1 514644716 AOCPCHFFGSLLIF-LJQANCHMSA-N 437.565 2.017 30 10 IEEE COc1cc2c(cc1OC)CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC2 518173599 ISMCOWROKALRFU-UHFFFAOYSA-N 443.525 2.055 30 10 IEEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C1 521297779 XXNVRVJPNPMKDA-NVXWUHKLSA-N 438.981 2.213 30 10 IEEE COc1ccc(Cn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)o3)c2=O)cc1 524749174 BXPOZRUUUSEVFJ-UHFFFAOYSA-N 445.500 2.304 30 10 IEEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 574309657 GXXZXBZMLIVDOY-QFIPXVFZSA-N 434.477 2.347 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(C#N)c1 584860033 ZUBCUKCTSIEFIY-UHFFFAOYSA-N 428.514 2.145 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)c1 586080537 XCEFUPMVLJIHNC-KRWDZBQOSA-N 429.498 2.159 30 10 IEEE N#CCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 603650816 DBMOITUBCPGEPE-UHFFFAOYSA-N 429.458 2.199 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cn2)C[C@@H](C)O1 608983820 KQFCGCAFDZHWIN-HDICACEKSA-N 449.559 2.430 30 10 IEEE N#Cc1ccc(CNC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(F)c1 609240029 KUQDFVKWOZJYHM-IBGZPJMESA-N 440.475 2.371 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCN2CCCS2(=O)=O)cc1C 610622996 OQSZKBSODNRWCB-UHFFFAOYSA-N 429.546 2.188 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCN(c4ccccc4)CC3)cc2C1=O 642237419 GIPBQMVNEWWRHA-UHFFFAOYSA-N 432.524 2.411 30 10 IEEE Cn1cc(/C=C/C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O 727750728 HIZCGXMZESSCBF-BGVYSJOJSA-N 430.464 2.057 30 10 IEEE C#CCN(C(=O)c1cc(Br)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 729331871 RCFVTNXBMQEVDZ-ZDUSSCGKSA-N 430.320 2.119 30 10 IEEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1 730719167 AUMUQJMTERHPOZ-GOSISDBHSA-N 429.546 2.437 30 10 IEEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1 730719169 AUMUQJMTERHPOZ-SFHVURJKSA-N 429.546 2.437 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1COc2c1ccc(Cl)c2Cl 742757305 YSYLUVWJEJQYIL-LBPRGKRZSA-N 426.281 2.282 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)n(C2CCCCC2)c1C 745049919 OVTLMCDWHPKWCM-UHFFFAOYSA-N 443.504 2.294 30 10 IEEE N#CC1CCC(COC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 755966641 SBKJQIDHXCIHBS-UHFFFAOYSA-N 447.557 2.173 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](O)C(=O)O 757279928 XZXZTYSDGKATFO-NHCUHLMSSA-N 438.480 2.422 30 10 IEEE C#CCNC(=O)[C@@H](C)OC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 780119989 YBSOCYWOYHBBMU-MYWXAZLQSA-N 429.469 2.330 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cc1 780993909 AKEYBRWWSPVJBP-FQEVSTJZSA-N 431.489 2.090 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)n1 788368946 CIXZVOAENYISQI-IBGZPJMESA-N 435.937 2.104 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)n1 788571420 YITBPFASKBIOEL-HDICACEKSA-N 426.521 2.205 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)n1 788605484 LAIZAGDTPVCXPK-UHFFFAOYSA-N 447.561 2.274 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)n1 788820871 MICORMRQDLNAFF-KRWDZBQOSA-N 426.542 2.266 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1 789246864 YIGPHZWEBWUIQT-IEBWSBKVSA-N 433.553 2.320 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1C#N 793522068 ZRJDJBHXAUTHMW-AWEZNQCLSA-N 435.484 2.344 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccn(C)c2)c1=O 794585705 VHRJUDHPAYTGKY-GOSISDBHSA-N 433.533 2.045 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)=NO1 798852273 XDTJNSNJQGDDRH-HKUYNNGSSA-N 445.495 2.204 30 10 IEEE C=CCNC(=O)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 800427587 DMKJTZKXCKVWDB-KRWDZBQOSA-N 432.521 2.301 30 10 IEEE C#CCN(C)c1nnc(CN2CCN(Cc3ccccc3Cl)CC2)n1C[C@H]1CCCO1 802684511 AEBZJKSVNNQJNQ-HXUWFJFHSA-N 442.995 2.498 30 10 IEEE Cc1nnc(SCC(=O)NS(=O)(=O)Cc2ccccc2C#N)n1Cc1ccccc1 916179206 RBQOWOUFWQOBPO-UHFFFAOYSA-N 441.538 2.245 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084345268 BPNZHUKCUHNRDT-UHFFFAOYSA-N 425.474 2.077 30 10 IEEE N#CC1(CNC(=O)c2ccc(I)cc2-n2cnnn2)CCCCC1 1131330575 NYPBUMOEXWMIKB-UHFFFAOYSA-N 436.257 2.471 30 10 IEEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1136616862 ITDASHNDVZNXGC-RHSMWYFYSA-N 438.550 2.359 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1142422848 OQMZOQZQFWRFEU-WLRLJWMZSA-N 443.569 2.162 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](CS(C)(=O)=O)C3)C2)C1 1159909045 ONESAZFDXMNNGM-DILDSAGESA-N 439.578 2.056 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)CC1 1194177152 UKOQSPFVIQCTDV-IBGZPJMESA-N 433.597 2.154 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)c1 1218593112 ZQTPEDQWONBRSO-UHFFFAOYSA-N 441.509 2.381 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799412 PWKFCFYENCHNGK-UHFFFAOYSA-N 447.557 2.295 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1Cc1ccon1 1253087261 VTQWZFIEKZFSIT-UHFFFAOYSA-N 431.517 2.307 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)CC2)c1C#N 1254432863 JYGXMFZUTDJSFT-JCNLHEQBSA-N 445.570 2.160 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCN(C(C)=O)CC1 1286275943 PXNVQYNDGSARTR-FQEVSTJZSA-N 434.588 2.370 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCOCC1 1286463398 NOXZCHABVXUQLP-UHFFFAOYSA-N 449.914 2.073 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(C)=O)CC1 1286537420 BQPZZLOWFNSCCD-MRXNPFEDSA-N 426.359 2.433 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccnn1C)C1CC1 1286546415 JAHPXAUFPXMAKL-VQIMIIECSA-N 427.553 2.300 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286613064 PFVBAAXPTPXHIU-HSZRJFAPSA-N 438.532 2.284 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1286723014 XXDLLRRCFBRLIS-UHFFFAOYSA-N 435.532 2.073 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C2CC2)cs1 1286773192 JOZQPHSWGYVZTD-HNNXBMFYSA-N 437.591 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1286785490 MBEQEPOEYOANDS-UHFFFAOYSA-N 447.543 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2F)CC1 1286818089 TZQVVWSDJQQIHE-MRXNPFEDSA-N 436.557 2.253 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(C(N)=O)nc2)cs1 1290405487 RYANRSQJYIHYJR-UHFFFAOYSA-N 436.545 2.306 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(C)CN(C)C1=O 1296864812 ZXIJGSYBRUFUAC-KSFYIVLOSA-N 426.521 2.330 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCSC2)C1=O 1298878962 QQVZDYGFXGHOHH-KKSFZXQISA-N 426.546 2.149 30 10 IEEE CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)CC(=O)O[C@@H]1CCOC1 1300012617 ADKYUUOTQNPXQT-QKNQBKEWSA-N 441.528 2.412 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)c1 1300155198 HYMVLAWITQKGRH-UHFFFAOYSA-N 431.496 2.004 30 10 IEEE COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC[C@@H]2C)cc1 1300260431 GEPQSIJUJZXVNA-ROUUACIJSA-N 428.537 2.325 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1300458423 PGAOSNWVDORGEV-JKSBSHDWSA-N 433.553 2.002 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCc2sccc2C1 1300553253 AIMZDAIRUQBQCS-FPOVZHCZSA-N 439.585 2.195 30 10 IEEE C=C(Cl)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301060972 OHMVRFRQWOANRD-OKILXGFUSA-N 445.973 2.036 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)CC1 1301219729 QDCXIGNROWSJLJ-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1301258130 LYRQMAMDGGSOJF-IBGZPJMESA-N 449.577 2.280 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCN(C(C)=O)CC1 1301305042 OHOKSRIHRFCXIK-UHFFFAOYSA-N 426.565 2.260 30 10 IEEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1303111416 GXHDZTNJBRDHNG-HNNXBMFYSA-N 447.351 2.132 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCCO4)n3CC(F)(F)F)CC2)c1C#N 1304730330 CPSDMGOFDGKOOW-OAHLLOKOSA-N 438.458 2.322 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 1307942421 MDYZSCGNUQRGIQ-RTBURBONSA-N 433.597 2.200 30 10 IEEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1309664946 UWLRJOCYNHDNCC-UHFFFAOYSA-N 444.395 2.487 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1313585519 AXLWKDXWJYPJBX-INIZCTEOSA-N 439.488 2.112 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315811326 FXKWTESRQSLNPQ-RDJZCZTQSA-N 444.511 2.123 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1nnc(C)s1 1316285900 VSYHQNFSIYPAFG-URLQWDBASA-N 435.529 2.237 30 10 IEEE C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316364423 AIEDOPXTAPXBHT-SZUZZLPFSA-N 429.546 2.175 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCN1CCOC[C@H]1C 1358899087 HAGDFLXHXKHILT-RTBURBONSA-N 427.549 2.434 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1358930347 SZFQCADVGNURKT-INIZCTEOSA-N 449.527 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCCCO)CC1 1359046304 MJXVENPOVQESJM-UHFFFAOYSA-N 448.571 2.479 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1359056615 IHKIQPCEJWYJLD-HZPDHXFCSA-N 428.649 2.124 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1359132962 IPPDPTMKOWHSRY-MSOLQXFVSA-N 426.583 2.026 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)CC1 1359165657 TYLPQDDMWSJURG-QZTJIDSGSA-N 449.552 2.158 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1359235638 HLXPIUFDMINIOB-UHFFFAOYSA-N 425.493 2.186 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1359326631 GKVSDFWQQRQDFP-UHFFFAOYSA-N 438.985 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1359331406 XSXHEMZIMXBNDU-INIZCTEOSA-N 429.546 2.500 30 10 IEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359345221 YACAOADVLCNEIY-UHFFFAOYSA-N 443.602 2.436 30 10 IEEE Cn1cc(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 1435359010 GYKNQTATDYWOFR-UHFFFAOYSA-N 441.435 2.350 30 10 IEEE C=CC1(CC(=O)NC[C@H](CO)Cc2ccc(OC)c(O)c2)CN(C(=O)OC(C)(C)C)C1 1445683278 FGYTXAPMCLZWMN-QGZVFWFLSA-N 434.533 2.481 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)CCc3ccccc3)n[nH]2)c1C 1448372259 IFNPGOLRAZULKF-UHFFFAOYSA-N 441.557 2.463 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1460822146 ZSYHOTWEJMIKCE-LJQANCHMSA-N 440.521 2.311 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2([C@H](C)NC(=O)OC(C)(C)C)CCOCC2)n1 1467717996 WMHTUEXPEDQJTB-SFHVURJKSA-N 448.564 2.201 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)cc1 1469835876 RZIONLXSXGHBAQ-QGZVFWFLSA-N 437.880 2.229 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1C[C@@H](C(=O)OC)[C@@H]2C[C@H]12 1472007752 OUOOJGUSAGLFFR-COMQUAJESA-N 437.290 2.412 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2(OCCO)CCC(C(F)F)CC2)c1 1472156580 HAFFROPSRMXIQV-UHFFFAOYSA-N 448.463 2.056 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)s1 1498551765 FIRRLZDVLXVTQV-ZDUSSCGKSA-N 445.574 2.407 30 10 IEEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)CCC1 1502410406 HEJFTJRTFVVZNN-ROUUACIJSA-N 430.553 2.048 30 10 IEEE COC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1)OC 1504586916 ATAKEEJRXOUWMK-KRWDZBQOSA-N 443.552 2.202 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)C[C@H](C)O1 1504711673 GHEZOCCMMDQKOE-GUYCJALGSA-N 425.518 2.265 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCC(F)F)c1 1505122528 UHLWZRPLKMBJFG-GOSISDBHSA-N 443.451 2.072 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCOCC(F)F)cc1 1505317861 XDXISURALAXWJM-SFHVURJKSA-N 432.475 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(N(C)C)CCOCC1 1507527781 RIBRWFHQTDDKPU-KRWDZBQOSA-N 425.533 2.285 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1cccc(C(F)(F)F)n1 1507541334 JDAWRUJTCLJUFN-AWEZNQCLSA-N 436.438 2.351 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCN1CC 1507713336 GKPKTCHJFYRODU-OAQYLSRUSA-N 435.576 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1507723678 QKVWGEPSXXQCFK-BXKMTCNYSA-N 449.559 2.146 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1507774324 BDNBKJJBXCCSMD-OAHLLOKOSA-N 425.375 2.390 30 10 IEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1508046954 JSMATLZDTJHWOH-UHFFFAOYSA-N 434.338 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508075055 VNBVXHSABXHZMY-DOTOQJQBSA-N 425.489 2.234 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1508096593 HROSWHGRIMEADW-GOSISDBHSA-N 441.532 2.054 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1508137122 KEWVELZBXSMWAK-SFHVURJKSA-N 441.561 2.058 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508156479 ZENFTBVWGKXQOD-QAPCUYQASA-N 440.573 2.318 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC(=O)N(C)C)CCOC1 1509792806 DZPMBBRODWJEIH-QHCPKHFHSA-N 440.548 2.305 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCOCC2)c1 1509949630 BBBWGSRJZKYACM-SFHVURJKSA-N 432.532 2.354 30 10 IEEE CCn1cc(CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1515771043 BDNKIQKGBUITRG-VXPUYCOJSA-N 440.552 2.246 30 10 IEEE CCN1C(=O)C[C@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)[C@@H]1c1cccc(C)c1 1516423448 GYQWDQIARIGYDM-UGKGYDQZSA-N 434.544 2.167 30 10 IEEE CN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1517310929 FMULLYLUSYCVBX-HNNXBMFYSA-N 439.398 2.076 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1=CCCOC1 1517366026 MNIBHDONTPJGEL-OAHLLOKOSA-N 433.310 2.122 30 10 IEEE COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1518129412 DUQZUJJPUKODSL-HTXNQAPBSA-N 444.442 2.326 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1518531763 FEOWEEBAHQXUDW-SFTDATJTSA-N 444.536 2.499 30 10 IEEE COCCCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519026687 QTJJLFCKWNVXIZ-UHFFFAOYSA-N 435.536 2.007 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCO1 1519150086 CYYAGUHXXVLDJY-PMACEKPBSA-N 438.532 2.323 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCCCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1519301755 BMSRGLHFIDTREC-JLUOLNIDSA-N 446.552 2.299 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](F)(C#N)C1 1519529119 FMUHFYXVPVHIBK-HXUWFJFHSA-N 447.492 2.194 30 10 IEEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1532863557 ORVMLRKWACLKCH-UHFFFAOYSA-N 425.507 2.013 30 10 IEEE COCCN(CC(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1)C(=O)OC(C)(C)C 1536335732 LSJOKQCXQMVDSJ-HNNXBMFYSA-N 437.493 2.277 30 10 IEEE C#C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1537528021 LCKYSDDQEIYXTH-ROUUACIJSA-N 431.558 2.084 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(OCC(N)=O)CC1 1539116504 OQWIDYVLBQEIQR-UHFFFAOYSA-N 434.500 2.484 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCCC1 1539401281 ZDMPOIDUVPNULH-UHFFFAOYSA-N 436.354 2.437 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)COCC)CC1 1539481576 MMIKTDHMKJYCQY-IBGZPJMESA-N 431.581 2.201 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539524891 PPOKITQUZWBICY-SFHVURJKSA-N 444.649 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1nncn1C 1539617572 XILLCXMPGPWINP-MANSERQUSA-N 445.568 2.453 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1539918161 KBZJUPBEBREUFV-LJQANCHMSA-N 430.597 2.380 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1541044351 VDEOXIBZFQZNDY-OAQYLSRUSA-N 438.532 2.117 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC(O)CC1 1541118704 GFEVAVMHVLBTMF-KRWDZBQOSA-N 430.528 2.439 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCc3nn[nH]c32)c1 1544608414 PMQPCUUOSPDCAK-YKTMHCBJSA-N 430.534 2.456 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1546832269 AOWOUQWSAXRFOC-OYHNWAKOSA-N 444.536 2.088 30 10 IEEE CCn1cccc(Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)c1=O 1547626724 ADRXGMTVMVLVIY-UHFFFAOYSA-N 446.559 2.399 30 10 IEEE CCOCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1548271388 CLBINMYRWHYZQB-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE COc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1OC(F)F 1554936322 LCGXUZDCDTUUJA-CQSZACIVSA-N 443.414 2.122 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCC(O)CC2)CCO1 1555993063 HKBBQTDJFZIECW-QGZVFWFLSA-N 448.930 2.313 30 10 IEEE CN1C[C@@]2(C)CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@]2(C)C1 1557741144 VPJKAPWPMVPYHI-SZPZYZBQSA-N 432.590 2.086 30 10 IEEE N#Cc1csc(CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)n1 1564728962 MQFLJLPHAQBONC-UHFFFAOYSA-N 434.330 2.099 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1568077121 RVDOWXQRSIZEOR-UHFFFAOYSA-N 444.532 2.391 30 10 IEEE CC(C)(C)OC(=O)c1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1584150250 IHNQBOYESSIZTM-UHFFFAOYSA-N 444.513 2.494 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588040521 NZMBPBCTLOCMDM-GOSISDBHSA-N 446.573 2.396 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1589069025 HPIRPAVNIKQWKB-OALUTQOASA-N 446.598 2.125 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1589162611 DSWZQVFUWLVQNW-IMRHEYAYSA-N 429.565 2.226 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CC1 1594498828 XWCUJODBIUVQCM-KRWDZBQOSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1594733102 NBQSKNSRUHDVME-JKSUJKDBSA-N 439.582 2.250 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](COC)C1 1595577303 OOJAFBUPFDTZKC-LJQANCHMSA-N 438.532 2.284 30 10 IEEE Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCS(=O)(=O)N1CCSCC1 1612546398 BKWJJHACRULHMX-UHFFFAOYSA-N 446.602 2.006 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)C2=O)cc1 1618732949 YUFCMPQRRDQFRS-GOSISDBHSA-N 438.434 2.472 30 10 IEEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1619474539 HKKUFJDCFUNGAT-UHFFFAOYSA-N 431.500 2.374 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OCC 1622506742 YEJHHQRZYKNXFE-ZDUSSCGKSA-N 434.308 2.495 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1 1623460107 CPPPHYKITKPOGU-UHFFFAOYSA-N 445.472 2.218 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1626829925 HIZNVHQPFTVLNF-PKOBYXMFSA-N 444.381 2.298 30 10 IEEE CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1627323516 GBNBRYCIGSYVBP-UHFFFAOYSA-N 437.562 2.110 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1628662026 HHSNLSQRBMNXGV-KRWDZBQOSA-N 430.367 2.097 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 1631330605 HAAYICDHVYIKKH-HNNXBMFYSA-N 438.962 2.289 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1631782139 ULMHELWEQJJWCC-UHFFFAOYSA-N 443.301 2.427 30 10 IEEE C#CC[C@H](COC)NC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1637389728 LDXREVBFQAAHPE-RLLQIKCJSA-N 434.581 2.282 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1SCC#N 1638905020 YIJCESZVWLGOQD-UHFFFAOYSA-N 434.499 2.261 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1[C@H]1CCC(=O)N1 1647994577 ORKKQXIRJROGIZ-QGZVFWFLSA-N 426.498 2.095 30 10 IEEE C=CCCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1652014478 ZAMXJKGAHAZOIF-HNNXBMFYSA-N 447.351 2.084 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@@H](c2cc(Br)ccc2OC)C1=O 1656312363 FLSFSQDHQXWJQR-BZNIZROVSA-N 437.294 2.059 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C)(N3CCOCC3)CC2)cc1 1673392092 DOPHVPKXPQUKIE-UHFFFAOYSA-N 436.578 2.212 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NC1CCN(c3ccccc3C#N)CC1)CCO2 1684480044 FNLZCSCWQIGAHL-ZUZNIGHFSA-N 426.517 2.327 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCN(C(=O)NCC#CCO)CC2)C1 1684877581 RHUVSGIJBPMCHZ-UHFFFAOYSA-N 429.517 2.356 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689980106 LTENFNQNEWGWKJ-BZUAXINKSA-N 428.649 2.267 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1689982455 NOKCHEWRVSLXFB-KRWDZBQOSA-N 433.484 2.489 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)CCC)CC1 1690674365 YHMAFVBCECRSGO-UHFFFAOYSA-N 430.578 2.118 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690722342 GKIUJWBMWDXUTO-KRWDZBQOSA-N 429.550 2.220 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)CCCN2C 1692520810 DCOFZSNDWRTVGD-JOCHJYFZSA-N 425.512 2.289 30 10 IEEE CCCNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1695431362 PCSCEBMOPHEJTN-UHFFFAOYSA-N 438.580 2.376 30 10 IEEE CN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1696744864 HJVNGIYWALHXMW-SFHVURJKSA-N 429.546 2.400 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(COC)CCOCC1 1705490861 SFCQRRVRUJVNJA-MRXNPFEDSA-N 436.516 2.495 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705530400 WXXBWAJDGGWQOS-UHFFFAOYSA-N 432.532 2.133 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705536737 VPTZRMWKMNAKCT-GOSISDBHSA-N 448.618 2.052 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1nc(C)no1 1705626827 KGRCGFKCHOAAQS-UHFFFAOYSA-N 448.487 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705644553 UTKOUPPOIUMUPK-UHFFFAOYSA-N 436.560 2.165 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1705699952 NKPTXUPVJIYWMK-AOIWGVFYSA-N 438.594 2.167 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN(C)c1ccccc1 1705747133 GJKJYEUCCLIWNF-OAHLLOKOSA-N 426.974 2.213 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1705789701 UGCKFKXEUANHDI-UHFFFAOYSA-N 440.573 2.363 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1705819763 TYXUKTNWMSALSH-QZTJIDSGSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705825467 UMKYBBZWPJLJPI-SJORKVTESA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705825876 GKXAQPSDQUACDR-UHFFFAOYSA-N 444.536 2.013 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706328801 JUCLDSJYISJNRU-WFJJUKAGSA-N 428.537 2.181 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1C 1710204739 FYJUOIXQRGYAFU-PMACEKPBSA-N 437.592 2.458 30 10 IEEE COc1cccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1711935295 HKTJEXFUEBERQE-AOMKIAJQSA-N 442.495 2.432 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1712008343 DQEMECJDYHKVFW-XZOQPEGZSA-N 440.548 2.062 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC[C@H]1C 1712090617 YFLWYPKBWJEYMN-YLJYHZDGSA-N 440.548 2.458 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1 1712102785 GBRCDNSIYQVXJS-GOSISDBHSA-N 426.546 2.007 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1712459289 IQEWGVYUPWPHTM-UHFFFAOYSA-N 430.472 2.396 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cnnn2)C1 1712875602 PYKVPHFRIWIPKN-GOSISDBHSA-N 433.398 2.065 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1712886966 NVXUJOQCMRZNSY-UHFFFAOYSA-N 443.939 2.372 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722315312 KYEKMFIIDJSARX-IRXDYDNUSA-N 427.578 2.372 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1722347254 GQDMWTLLNUSUQX-GOSISDBHSA-N 436.516 2.432 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722370537 CGDFZFIAPFCOKJ-RTWAWAEBSA-N 440.569 2.035 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC(=O)NC1CC1 1722379443 QBKLNMMTUUXDRI-UHFFFAOYSA-N 427.512 2.262 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1722436522 IJWHKDONUKFHOY-WOJBJXKFSA-N 446.596 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)c1nccs1 1722697038 HFQSHXXJEFXLDN-ZDUSSCGKSA-N 443.533 2.004 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCn2nc(C)nc2C1 1722742730 FEZMVTKHKLXZCJ-UHFFFAOYSA-N 444.590 2.109 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC[C@@H]1C 1730390171 ONRJYWFVYJYPSN-MGPUTAFESA-N 431.500 2.220 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740566084 NQUPAHUJQUMMSR-HNNXBMFYSA-N 446.353 2.395 30 10 IEEE C#CCCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740580031 QVUCEIHYDGELIC-UHFFFAOYSA-N 449.552 2.268 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740601272 YTFJOKQLHVRNSR-QGZVFWFLSA-N 446.861 2.454 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740616352 ZJDUOAYASMMVPX-SFHVURJKSA-N 447.605 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCSC1 1740644328 BMDUKBSPHXJKKR-HSZRJFAPSA-N 437.569 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cccc(Cl)c1 1740659263 XBKPMMUFUUGNLM-QHCPKHFHSA-N 439.947 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCC2)CC1 1740706961 JWSSOBMZAXYIPF-UHFFFAOYSA-N 449.603 2.106 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C2CC2)CC1 1740709183 BXRXKOJZSPFFPQ-CALCHBBNSA-N 442.564 2.350 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1740875174 UJVSBCQCIBSODC-INIZCTEOSA-N 435.532 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H]1CSC 1740955459 VDLYPUNVIKRADN-MRXNPFEDSA-N 429.546 2.350 30 10 IEEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)cnn1CC(C)C 1742072997 IHDGCSRLEPZYBI-LJQANCHMSA-N 432.532 2.338 30 10 IEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1746896436 BICOVGSBPBPGHV-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1747538625 XUYWXBAGCLZQGA-QHCPKHFHSA-N 438.532 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1748834693 TTZSWYYLCGNMTF-MRXNPFEDSA-N 449.939 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CC)CC1 1749000880 CIVHIZXXCSNSFZ-UHFFFAOYSA-N 437.548 2.327 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749031686 GEUOITHTXCFNIA-LJQANCHMSA-N 425.562 2.444 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1749084169 FLZLFPGZLIPTNM-KSFYIVLOSA-N 427.505 2.146 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749134031 TUSIDXWJRHVSMN-DYESRHJHSA-N 425.533 2.490 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1749401707 CPPGKASFEHRFNW-LMDPOFIKSA-N 437.610 2.420 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1749461658 FLTYZKYUTHNAFT-UHFFFAOYSA-N 435.488 2.073 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749663943 BXLQLDPJMGAWJE-UHFFFAOYSA-N 440.523 2.368 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(OC)c(O)c1 1749676684 ZJLLVDFIJDQGRI-UHFFFAOYSA-N 442.545 2.287 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1749718689 HHFJDGSOKYSTEE-RCCFBDPRSA-N 441.523 2.267 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCOCCS(C)(=O)=O 1750062070 COZOFESYURBERX-HNNXBMFYSA-N 431.518 2.348 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1750295058 WCWIGRKIMGLZHX-UDJKBAMHSA-N 441.561 2.142 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1cccc2[nH]ccc12 1751193588 CDIIIJPWRALCQF-CABCVRRESA-N 429.550 2.351 30 10 IEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1751962866 CCJZSAOSMRFOFJ-HNNXBMFYSA-N 435.488 2.049 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CCCO1 1752396797 AWMDVPURSACIKB-MSOLQXFVSA-N 439.564 2.018 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccs1 1760102609 NFXHWRKDVLUCHU-AWEZNQCLSA-N 430.559 2.158 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760138514 ZPOVSUMJOXVHHO-SFHVURJKSA-N 425.537 2.019 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760152743 XMDOSKHYLLJHIW-UHFFFAOYSA-N 447.543 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1760318310 FMDIKFVBGSAFPU-UXHICEINSA-N 435.532 2.259 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(COC)CC1 1760354272 URZBRQSNELJCBJ-UHFFFAOYSA-N 436.520 2.296 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760356518 POKPMBCWRBCTTK-OAQYLSRUSA-N 449.559 2.016 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760371534 CQUJTOHSFZHPEZ-UHFFFAOYSA-N 433.988 2.417 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1760490643 DVJYFDDCIMGCSD-UHFFFAOYSA-N 445.325 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)N2CCCC2)C1 1760533017 ABPAQTYSCZTGJU-UXHICEINSA-N 430.597 2.416 30 10 IEEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1760534167 ZXOHLCULUUMINE-IBGZPJMESA-N 427.549 2.431 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2nccn2C1 1760698923 SNEYZDVFLQABBG-CVEARBPZSA-N 438.561 2.325 30 10 IEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](OCCOC)C2)no1 1762749892 WPOFYRUJRVHAGO-SFHVURJKSA-N 437.504 2.247 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1768426834 HQWIFXLXLCMGKL-PMACEKPBSA-N 438.532 2.193 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769129017 UEOHRLIDVWJOJO-VQTJNVASSA-N 439.564 2.121 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1770103812 BEOGAPDLSWNROK-DENIHFKCSA-N 443.573 2.317 30 10 IEEE COCc1c(C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)nnn1-c1ccc(F)c(C)c1 1851386184 ZIGZEWAXBJVFPB-MRXNPFEDSA-N 438.419 2.105 30 10 IEEE COc1cccc(C#N)c1OCC(=O)NCCCN1CCN(c2ccccc2F)CC1 1851876337 CXMRIGMVAOKZFJ-UHFFFAOYSA-N 426.492 2.413 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1855266374 VXNXGSTXHMMGBB-AWEZNQCLSA-N 439.921 2.038 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988628585 YVMQXFPGZFSALZ-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE C=C(Br)CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)C1CCOCC1 2013665511 VEZKTNOBAYCOLZ-UHFFFAOYSA-N 427.361 2.231 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2015910538 JNJXPZAQYGXXNI-MRXNPFEDSA-N 439.553 2.171 30 10 IEEE CC[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2085392794 CHVYYSSYXVFGFX-ZSEKCTLFSA-N 432.330 2.408 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124533006 MZGFAFGXKIHOPC-SFHVURJKSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2232306882 OZUJVTONDABJTH-UHFFFAOYSA-N 447.341 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2243675888 BSQLEXQEMVFSFS-UHFFFAOYSA-N 427.307 2.340 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247776643 BOSHWXJYNHOSKE-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE CCc1nc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247908488 VHFIBWUAIXIBFL-RYUDHWBXSA-N 437.371 2.400 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247922389 HEHIDYDSKDJIIH-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248569869 AFIOVQISPRSRJJ-FQEVSTJZSA-N 425.310 2.208 30 10 IEEE CCN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2255649830 XLFDAHPXDVVGKO-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2255669345 NATDUUPEKBWLTN-MRXNPFEDSA-N 433.358 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255700160 YQFGLVHUMYWSCB-IAGOWNOFSA-N 432.326 2.008 30 10 IEEE Cn1ncc(C(=O)NC2CC(COCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255824890 QCFLKWCOXWYIPT-UHFFFAOYSA-N 425.338 2.445 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255827180 VWPYLYMPXFKIPO-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC1(C)OB(c2ccccc2S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2255933042 JTWXBRJWNIUQCK-UHFFFAOYSA-N 444.362 2.052 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256028507 SMEQZVTXLMWYNP-HOCLYGCPSA-N 433.358 2.032 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2256926320 AFWLSOCZVVIQCR-KDOFPFPSSA-N 429.278 2.367 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267002638 CQSMRWODHDNPMD-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267153243 WJFPNBOGSCUBCS-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(Cc2ccccc2)CCC1 2267186037 DMNCIQCMIGQHER-UHFFFAOYSA-N 438.381 2.458 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267187966 GEVHKAFHEYNJET-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267487345 OXZMEIAEVBQTPS-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)n1 2267502463 ODWKLNZXKGHTNY-UHFFFAOYSA-N 449.332 2.378 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872523 JNNFFOHTMMUIQC-LSDHHAIUSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268789847 PGVQVDXZWDGNJZ-GOSISDBHSA-N 446.353 2.151 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)co2)OC1(C)C 2269045190 IGCMNRJEUHFRMS-QHCPKHFHSA-N 440.305 2.038 30 10 IEEE Cc1cc(CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273862143 OPLPTMRTLTVXCY-KRWDZBQOSA-N 448.369 2.044 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2282110476 ORJNUBJGARXNDR-QFIPXVFZSA-N 449.404 2.498 30 10 IEEE C[C@@H]1CC[C@H](C2OCCO2)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861566 PMTSMWTWMNEKGR-ZIAGYGMSSA-N 443.396 2.209 30 10 IEEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)CC(C)(C)C)NC(=O)OCc1ccccc1 2286038730 KHJCGCVXTHUPAZ-QGZVFWFLSA-N 439.534 2.046 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2312640494 MZTGMRQMPHGPNC-HYVNUMGLSA-N 432.326 2.394 30 10 IEEE Cc1c(C=C2SC(=S)N(CC(C)C)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 2314435774 LXPKGSPNTHYVCU-UHFFFAOYSA-N 432.571 2.259 30 10 IEEE COc1[nH]c(=N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317504259 XDXJBMDSUCVFSI-AWEZNQCLSA-N 433.358 2.479 30 10 IEEE COc1nc(O[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317545091 NHHPDDNNLPBOPJ-GJZGRUSLSA-N 436.314 2.060 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263246 VDHIBZVARQAXKP-FMKPAKJESA-N 446.357 2.227 30 10 IEEE Cn1nnnc1SCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1 12233561 YLEBXRJLVAUTRK-UHFFFAOYSA-N 429.509 2.318 30 10 IEEE N#Cc1ccccc1OCC(=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 13705966 WSQBLTMHJPXGDK-UHFFFAOYSA-N 432.415 2.376 30 10 IEEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)c1 102707250 KNMSHEPRTPTVOO-AGGMBTAESA-N 437.496 2.234 30 10 IEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3oc(C)c(C(=O)OC)c3C#N)CC2=O)cc1 170521529 RHMPTVHZRFPUFV-CQSZACIVSA-N 439.424 2.415 30 10 IEEE CN1CCC[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(C(F)(F)F)cc1 410129941 KPEXGOOFPHYTSZ-BPQIPLTHSA-N 446.495 2.147 30 10 IEEE CCOC(=O)c1csc(C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 429589232 IRCXCWDFKVPPDM-IBGZPJMESA-N 447.605 2.192 30 10 IEEE N#CCC1(CNC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CC1 431047848 IBZIPGFIDBFVMH-UHFFFAOYSA-N 427.530 2.335 30 10 IEEE CC(C)(C)[C@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 464171420 VETWXDABTDGNLB-KRWDZBQOSA-N 444.351 2.247 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 466100960 GXRNHVKBCXDIGF-UHFFFAOYSA-N 429.458 2.074 30 10 IEEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 486838578 HBKFARLABIBVEX-SFHVURJKSA-N 437.521 2.206 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)C2=O)cc1 489276210 HILAWBCTKBTOLU-PBHICJAKSA-N 431.418 2.322 30 10 IEEE COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1cc(C#N)c(SC)nc1O 507945418 QYEJIFQSVKBOAS-UHFFFAOYSA-N 431.470 2.213 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 513784012 JECQBVSGVHZWOL-UHFFFAOYSA-N 449.479 2.391 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc3nnc(CC)s3)cc2C1=O 515318953 OBJVVJFXLOFYPG-VXGBXAGGSA-N 441.513 2.276 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CC1 522317231 DNUUFDTYVBDBBJ-UHFFFAOYSA-N 442.560 2.247 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCOCC 533202164 PGGVOCRQMVGWLV-UHFFFAOYSA-N 445.610 2.111 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 538746225 GMXKVSQOXDYLIN-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN(S(=O)(=O)CC)CC1 549327749 QAYWIMFHUDVNKM-UHFFFAOYSA-N 444.605 2.279 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 549680768 IRJMHXZMFPIKHO-GOSISDBHSA-N 449.621 2.422 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC)CC1 555063344 VEBWHUHHTMUEOP-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)CC1 568906805 ANAFNHAXOLUVAL-UHFFFAOYSA-N 426.786 2.138 30 10 IEEE COc1cc(-n2nnnc2C)ccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2 586270821 CTJZSGHORUYKRX-UHFFFAOYSA-N 438.469 2.197 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 593986229 DQXPVVSAMGLLBZ-HNNXBMFYSA-N 430.476 2.239 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C)c1=O 603800096 TUKHWWFBTOTOIE-UHFFFAOYSA-N 433.533 2.244 30 10 IEEE COc1ccc(Cl)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608896489 QJMLZANIYWNZRZ-UHFFFAOYSA-N 448.932 2.165 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 609694326 KOWZPDWQENNTCA-NFBKMPQASA-N 433.512 2.266 30 10 IEEE Cn1ccnc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c1=O 610415791 NRHCKVYTRLKVMU-UHFFFAOYSA-N 431.456 2.193 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1-c1cc(I)ccc1Br 705617152 MEOZYGIHURICKE-UHFFFAOYSA-N 432.015 2.485 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732702044 XPFCMYMCKIXTHQ-VQIMIIECSA-N 433.578 2.160 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)c1ccc(C#N)cc1 740212944 VVYRZISMEZPFMY-QPPBQGQZSA-N 447.447 2.315 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 752292723 PZZGVBZBLXBGFA-INIZCTEOSA-N 427.526 2.119 30 10 IEEE C=CC[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 756677261 ZLRMEKOSRGXKLD-MSOLQXFVSA-N 444.557 2.166 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](COC)C(=O)O 757268400 VKBNUUQZDZLPOQ-LEWJYISDSA-N 436.464 2.133 30 10 IEEE C#CCOc1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1 784617999 UJIXFDREAPTMQA-LJQANCHMSA-N 442.493 2.229 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1C#N 785585048 SRKIFXINAZDFNN-IBGZPJMESA-N 437.887 2.476 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)Cc1cccc(OCC#N)c1)c1ccc(S(C)(=O)=O)cc1 797583092 PQUFHJZUMYYYEN-QFIPXVFZSA-N 444.509 2.130 30 10 IEEE N#Cc1ccc(NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1 799508799 JBCNKKCPPZBBPV-UHFFFAOYSA-N 429.449 2.216 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 804972679 JOJIMHFQQWUOFN-UHFFFAOYSA-N 435.458 2.056 30 10 IEEE C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccc(F)cc1 812749016 ZNUZAIJUGSDBKR-HXUWFJFHSA-N 445.516 2.077 30 10 IEEE Cc1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC[C@@H]2CCCO2)cc1 1115979679 WXHAMLIHBRJHMH-SFHVURJKSA-O 448.590 2.446 30 10 IEEE CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1125851491 DVCVNRPAOPYQGO-RHSMWYFYSA-N 434.949 2.238 30 10 IEEE CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1143720656 WQSMYHRWNJNPBZ-FQEVSTJZSA-N 426.542 2.136 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(-c2cccc(Br)c2)no1 1144429037 KOJARHVUYNCADO-VLGSPTGOSA-N 431.246 2.360 30 10 IEEE Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)no1 1178460643 OHZACECNFPLNBE-GOEBONIOSA-N 428.518 2.413 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1208271542 IYACMOYEZVRWNA-UHFFFAOYSA-N 445.566 2.372 30 10 IEEE COC(=O)C1CC2(C1)CN(C(=O)NCc1ccc(C#N)cn1)C[C@H]2C(=O)OC(C)(C)C 1229559671 CEDIRXGSOWXEMU-YSJWXEPDSA-N 428.489 2.006 30 10 IEEE C#CCOc1ccc(CNC(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1251291276 KRDCIXYDERVFEF-UHFFFAOYSA-N 430.549 2.393 30 10 IEEE C[C@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)COc2ccccc2O1 1280434716 DYKORQTVDJCBAH-SBUREZEXSA-N 434.452 2.110 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCC1 1286277368 YFSLPYGTDRRPHO-MRXNPFEDSA-N 429.594 2.100 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286386154 VQPLCGCUHMBCQU-MSOLQXFVSA-N 430.578 2.316 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1cnc2ccccc21 1286421860 HBEOHOCPLRNLPP-DEOSSOPVSA-N 432.528 2.443 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1286469613 KKTHNBHZQSSORV-SFHVURJKSA-N 443.552 2.402 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(O)cc2)CC1 1286494666 VWFQAJMYDCNKRS-OAQYLSRUSA-N 437.544 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1286522452 KRGWQPWLTREMKE-IIDMSEBBSA-N 426.633 2.021 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC(C)C)C1 1286808967 FPCGOLGUNKLPTA-XLIONFOSSA-N 441.532 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC[C@H]1C 1286817331 LYXOMIVZWBFSEU-CVEARBPZSA-N 438.525 2.383 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1288974417 DYTARZSWLHENIC-YWZLYKJASA-N 444.517 2.418 30 10 IEEE Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c(O[C@@H]2CCOC2)c1 1289676202 BFLKGDMLAODYJU-QRQLOZEOSA-N 438.532 2.492 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCc4ncc(Br)n4C3)CC2=O)cc1 1289710682 APPGCMCSDFBHNU-KGLIPLIRSA-N 428.290 2.001 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC(C)(C)O1 1291217468 BYCSYDMCTSDPSE-INIZCTEOSA-N 438.532 2.103 30 10 IEEE C=CC[C@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1297176212 QGHLGZDGPYZTGH-OAHLLOKOSA-N 432.952 2.093 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300295450 IASVAFXFEOFYMK-YQVWRLOYSA-N 428.562 2.002 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1300302690 CKYBMRDBYLBPLM-INIZCTEOSA-N 434.500 2.122 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2C[C@H](F)C2)c1 1300333154 XNYIXMFFTKGQFO-LNLFQRSKSA-N 438.507 2.424 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CCC(OC)CC2)CC1 1300685227 JOTFSUXDPMZKBO-SLXFGWRHSA-N 445.608 2.281 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@](C)(O)c2ccco2)CC1 1300729156 OURVVFGAOYUEAL-XMMPIXPASA-N 439.560 2.477 30 10 IEEE COc1cc(Br)ccc1[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1300793465 LIGXLFCGBXKFJR-OAHLLOKOSA-N 447.289 2.345 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1300801070 HECNJIKDLTVRKK-LAUBAEHRSA-N 431.491 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1300805427 CMYWEOLWSUPULW-WIYYLYMNSA-N 430.578 2.158 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300809192 VBUNUTOGRJUEDT-NHCUHLMSSA-N 448.976 2.064 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC(N2CCNC2=O)CC1 1300852880 FEIBOJRGPWQLPT-UHFFFAOYSA-N 446.353 2.167 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1301069360 CUMHAVGZJUMPHC-QFIPXVFZSA-N 426.521 2.017 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301496567 CXYURELWIDMHFU-OAHLLOKOSA-N 437.470 2.024 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301498443 OEVBRWQAIVNKAF-LJQANCHMSA-N 427.553 2.243 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301507343 ZUWLAMUISXBQNW-QUCCMNQESA-N 425.533 2.185 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCCN(C(C)=O)CC2)cc1 1301517937 DFYLELIPKBCGCF-UHFFFAOYSA-N 433.516 2.407 30 10 IEEE COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1301848861 TVYWAIGNOSFFKT-RTBURBONSA-N 439.564 2.436 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1302031560 XCPJTOGZBPFJCW-QVKFZJNVSA-N 440.483 2.277 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1303000742 JILBMLUNOFZJQB-IRXDYDNUSA-N 442.486 2.175 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOCC(F)F)CCO1 1303010529 XFKHYLCDJFSKHC-MRXNPFEDSA-N 425.411 2.397 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1305795268 VCDKTGIKFCMYSS-HNNXBMFYSA-N 449.550 2.387 30 10 IEEE CCOCCOc1cc(C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1314504501 YOWHAQPOURBQRW-PMACEKPBSA-N 441.532 2.283 30 10 IEEE COCCn1cc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1316110722 IEYRYXNEYTWUOQ-SFHVURJKSA-N 427.896 2.218 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)C[C@H]1OC 1316333448 CALUMCKWTBJHCM-PLWAMTLXSA-N 441.532 2.394 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)c1 1355123627 MKMYGRXQHRNGHU-NRFANRHFSA-N 437.496 2.396 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1358941711 VCLFZEFQKWSFKV-QGZVFWFLSA-N 436.516 2.432 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358964776 HGQQHYKKDONXGE-HNNXBMFYSA-N 442.463 2.067 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@]1(C)CN(C2CC2)C1=O 1358998125 RAOQZJHISZRLFH-DEOSSOPVSA-N 435.503 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCO[C@@H]1C 1359019885 KWMLIHWPHVIYKY-QVKFZJNVSA-N 436.459 2.172 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCn1cc([C@H]2CCOC2)cn1 1359022704 KFOOKWSNDDFAES-IBGZPJMESA-N 435.532 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cn3ccc(C)cc3n2)CC1 1359045585 MQODXJMSPRRXGG-UHFFFAOYSA-N 433.560 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nc(C(F)(F)F)cs2)CC1 1359045928 YIAFXQRINBMLRA-UHFFFAOYSA-N 426.468 2.330 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@@H]2C)CC1 1359047115 RLUZNLFGVBBBEX-FXAWDEMLSA-N 432.528 2.351 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359056812 MBIPRCAGDICZFM-OALUTQOASA-N 441.605 2.434 30 10 IEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCCO)CC1 1359178341 PDBZNRGWCYBHKO-UHFFFAOYSA-N 441.580 2.254 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359188108 GFSFMAWNPUALAC-ZACQAIPSSA-N 426.583 2.023 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359288252 PDZCTPHWJXQQAL-UHFFFAOYSA-N 432.528 2.350 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359297374 OKCIVEWETXESIV-FQEVSTJZSA-N 433.560 2.297 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359300808 KMFQNIIPMINBNJ-UHFFFAOYSA-N 438.576 2.440 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H]3[C@@H](C2)C3(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305341 AOMSUEBEQNMBFI-YYIAUSFCSA-N 444.580 2.443 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1359378114 BDHBEUWNOLRJRI-UHFFFAOYSA-N 436.516 2.134 30 10 IEEE Cn1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(I)n1 1437241486 GJWDRKRSXNJEBX-UHFFFAOYSA-N 449.296 2.291 30 10 IEEE CC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1OCC(=O)NC 1441756604 WYSJTQWOGIEHJJ-SFHVURJKSA-N 447.488 2.129 30 10 IEEE Cn1nc(I)cc1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1461652568 QQPQIDKEPFWYKB-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)C1 1463827184 ASTJJUJLVGCNES-DBWCEAHUSA-N 445.520 2.059 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)cc1 1464274365 VEEVCHIOTBSVSN-SKDAWRFRSA-N 444.488 2.388 30 10 IEEE CN1CCC[C@](O)(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 1464340154 JURMGSCMELRPJC-VWXXCCROSA-N 436.578 2.065 30 10 IEEE C#CCN(C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1464383276 OUQNGJJQXOVJTN-QGZVFWFLSA-N 436.530 2.086 30 10 IEEE C#CCN(C(=O)CCCn1c(O)nnc1O)[C@H]1CCOc2ccc(Br)cc21 1465179894 PZABOGSPANKEGG-AWEZNQCLSA-N 435.278 2.218 30 10 IEEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1465278535 OEUHRZXFXNERPO-UHFFFAOYSA-N 443.613 2.134 30 10 IEEE C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NCC3(C#N)CCOCC3)cc2)C1=O 1470144205 LUMOBRMCYRVJHO-NRFANRHFSA-N 425.489 2.031 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503255736 BYMHVRPPALIXOB-LJQANCHMSA-N 440.529 2.157 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCOCC1 1503476104 FLJDURBRJXUERL-FQEVSTJZSA-N 438.532 2.323 30 10 IEEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)c(OC)n1 1504260118 BBCDCPOGIPSXML-AWEZNQCLSA-N 436.476 2.124 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)o1 1505317201 OYVYEDSMSMLBRE-ZDUSSCGKSA-N 445.405 2.358 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cccs1 1507524120 SMUHHRYGHMPYDZ-VFNWGFHPSA-N 434.529 2.348 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1507622379 IGCPYCCZNWXNRQ-SFHVURJKSA-N 440.573 2.207 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1507631404 PBEWWEPTRLXPBO-HNNXBMFYSA-N 434.949 2.493 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCc2ccccc2C1 1507653204 PEAAOLRLIZMHRM-NRFANRHFSA-N 430.556 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NCC)c1 1507677122 UKCMQBYGRRUOFC-VXKWHMMOSA-N 449.555 2.263 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CCc3nccn3C2)n1 1507715782 CWILUAGSJKAUHV-IBGZPJMESA-N 436.564 2.343 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2occc2C)n1 1507717843 ZVVWYSHMEFXXPU-UHFFFAOYSA-N 434.504 2.111 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2noc(CC)n2)CC1 1507732010 AORXFFOPCYNSRA-YLJYHZDGSA-N 441.580 2.140 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1507763553 CYNBVIBTERHMAG-HRAATJIYSA-N 449.552 2.489 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(N(C)C(C)=O)CC1 1507808298 UQOSMKHQSOKICK-DSKINZAPSA-N 449.596 2.430 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1508013549 PAGWNOBNHUIAKS-ROKPMTFOSA-N 442.608 2.340 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC([C@H]2CCCO2)CC1 1508138266 ZIXUCMXEUHDRRI-LJQANCHMSA-N 431.562 2.336 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@@H]32)ccc1F 1531640185 HCOIXZGCZRGRSI-BQFCYCMXSA-N 438.521 2.484 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(F)(F)F)c1 1539046336 REVQHKIPMXMLSV-UHFFFAOYSA-N 434.422 2.019 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N2CCOCC2)CCSC1 1539154091 GRHJUXNEXGLGTF-OAQYLSRUSA-N 442.545 2.131 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539375690 FPFFDFFBRBHDNW-LJQANCHMSA-N 431.544 2.392 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1539382731 PJLBMWMNHTVSTG-UHFFFAOYSA-N 440.592 2.351 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1539882816 YNTWVSSPACNXBE-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1540121808 WZFVEQUMPMFYOA-OALUTQOASA-N 446.573 2.418 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540870923 ZZJOUIIEXSTQQM-IBGZPJMESA-N 444.580 2.193 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540880573 KNWGVDGQYIPVOB-YLJYHZDGSA-N 425.533 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(OC)cc2)C1 1540890634 HMDROPNDNFYCCJ-MOPGFXCFSA-N 427.505 2.098 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1540893755 JROXDHHMALDBCP-SJORKVTESA-N 430.578 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(Nc2cccnn2)CC1 1540902237 DRLWCFOXCKZAJI-UHFFFAOYSA-N 445.593 2.407 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1540916897 JHMWRRXKYNJPJU-INIZCTEOSA-N 426.608 2.106 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1541168585 CJNBVRYTADBESN-GOSISDBHSA-N 447.561 2.025 30 10 IEEE C[C@H](CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)c1nccs1 1541831588 UTOKYQQRHGFHSF-KGLIPLIRSA-N 446.558 2.390 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1547772429 GYPTYMNJQIALBO-QHCPKHFHSA-N 449.515 2.169 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C)cc(OC)c1 1555753260 MADBBXSHUZCFTM-IHPCNDPISA-N 427.505 2.096 30 10 IEEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457908 SXDIEEIZIWOICF-GOSISDBHSA-N 434.525 2.184 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)cc1 1556844460 XEHXWGMQMGXAKW-MRXNPFEDSA-N 437.562 2.411 30 10 IEEE CC[C@H](C#N)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1557661266 OWEFRRLUHLRHCO-RLLQIKCJSA-N 440.500 2.369 30 10 IEEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1558605895 FKIAFNABDZHJLF-SFHVURJKSA-N 447.513 2.311 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)COCC3CC3)nnc12 1559010398 WDJYRHGUJXLLQU-CQSZACIVSA-N 427.530 2.254 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(Br)cc2C)CC1 1563044621 POUXTZRZGPWXJD-UHFFFAOYSA-N 449.758 2.028 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CCC)C(=O)C1 1587755377 ZWPOSHPEKSMWRX-UHFFFAOYSA-N 426.521 2.258 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1587783784 XSDUKWDRXDLRCA-INIZCTEOSA-N 426.487 2.277 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588040522 NZMBPBCTLOCMDM-SFHVURJKSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(C)C 1588228864 MUHAXSAFSYVSMI-HXUWFJFHSA-N 440.569 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1588930294 RZAWOPRRYNIJEZ-GOSISDBHSA-N 443.592 2.376 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCCS(C)(=O)=O 1589559153 NQPLZSPZMVMIRO-ICSRJNTNSA-N 433.578 2.116 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1594819440 CPFIHVWRSNKZSS-TZIWHRDSSA-N 446.640 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC)[C@H](C)C1 1595536452 AIQZJHLTMMPTQH-QGZVFWFLSA-N 435.532 2.433 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)CC1 1595550885 JEXCJRCCNVDYAE-QGZVFWFLSA-N 448.568 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CC1COC(C)(C)OC1 1595789195 OXUJHDBCEYUMCQ-UHFFFAOYSA-N 449.577 2.085 30 10 IEEE CC(=O)NCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1596695800 HBODPDBLOFOLMI-WMLDXEAASA-N 428.562 2.386 30 10 IEEE CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1598227862 OBIJGVSGBULUCM-HSZRJFAPSA-N 433.516 2.206 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCOCCS(C)(=O)=O 1612290669 ZLSWDZQYFZOCOW-UHFFFAOYSA-N 445.589 2.369 30 10 IEEE CCCN(CC)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1614716062 BDWXCTNRTMODCX-INIZCTEOSA-N 436.520 2.055 30 10 IEEE CC(C)(Oc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617487617 PFPYJVAYXVWGGO-SJCJKPOMSA-N 427.320 2.003 30 10 IEEE Cn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCCO)c2ccccc2c1=O 1618488571 OJLHUPPERNREPC-QHCPKHFHSA-N 435.532 2.485 30 10 IEEE COCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1619793149 FITWMWBQIQWIIK-FHWLQOOXSA-N 433.553 2.328 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1620351230 YJGIBIMDJRVBQO-WBVHZDCISA-N 430.459 2.333 30 10 IEEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(NS(=O)(=O)C(F)(F)F)c1 1633151507 YNZJXXUTIIBBND-MRVPVSSYSA-N 430.273 2.236 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)CCOC1 1633317549 ULKBNOJGELKAIX-RUZDIDTESA-N 449.507 2.227 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](CC(F)(F)F)O1 1633624858 WMYCGWRRGHODNL-WQVCFCJDSA-N 438.406 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(C#N)cc4F)C3)[C@@H]2C1 1636432362 JIVLQIHMDPVSFM-OLMNPRSZSA-N 444.463 2.352 30 10 IEEE CC#CC[C@H](CO)NC(=O)Cc1cc(Br)cc(I)c1 1639840822 UATGSFMFBARLSX-CYBMUJFWSA-N 436.087 2.487 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1Cc2ccccc2CO1 1641309391 XCDILPYFFMKTLY-ICSRJNTNSA-N 441.553 2.398 30 10 IEEE C#C[C@H](NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)c1ccc(Br)cc1 1641517847 PJHFTPWSQIFPTB-KSSFIOAISA-N 429.318 2.448 30 10 IEEE C=CC[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1654348732 UMHDXHCIYAJNHY-HNNXBMFYSA-N 427.954 2.197 30 10 IEEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc21 1654834560 CVOGDCOBOYWQLJ-UHFFFAOYSA-N 446.511 2.269 30 10 IEEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSc2cccc(Cl)c2C#N)cc1 1656411307 VOQOEYKPGDORIT-UHFFFAOYSA-N 437.930 2.445 30 10 IEEE C=CCc1cc(CNS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)cc(OC)c1OC 1661109635 ZMRROOYNHHTOBA-UHFFFAOYSA-N 439.555 2.455 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)CC1 1679051790 QFBIXWNELMTCAK-IBGZPJMESA-N 432.546 2.233 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1685423231 IAIQSGNUZPYKQE-IEBWSBKVSA-N 447.511 2.163 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3ccc(COc4ccc(F)cc4)cc3)C[C@H]1CS(=O)(=O)C2 1686890013 TYKAGRJTMVDKAO-AVRDEDQJSA-N 443.500 2.484 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1689912878 CKFTYSYDTKOUAU-ZOBUZTSGSA-N 437.591 2.330 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690154514 QCIUPPXDJACMGX-MRXNPFEDSA-N 429.546 2.059 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690175583 ZXFCWTLRWYDJKO-ZWKOTPCHSA-N 427.578 2.044 30 10 IEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1690231550 GNBLZBXBQSHQHT-UHFFFAOYSA-N 448.365 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690666601 AIKXMSJJBIBSBZ-CALCHBBNSA-N 446.983 2.446 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccs2)C1 1692845159 CGMGFLIUCOVDHQ-OAQYLSRUSA-N 441.561 2.022 30 10 IEEE CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CCN1CCOC 1694967614 RHKSEXXRVZIULH-LJQANCHMSA-N 435.532 2.324 30 10 IEEE CCOCc1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(=O)c1cccc(O)c1 1696280368 RPJYVUUXYOIVOU-UHFFFAOYSA-N 426.521 2.470 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705536837 XUAMCJWMAOATFY-UHFFFAOYSA-N 432.532 2.193 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCc1n[nH]c(C)n1 1705548070 XYRPRRMUGCFGDB-UHFFFAOYSA-N 430.310 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCOCC1 1705594252 WOXYBQUYVBNVSX-HXUWFJFHSA-N 449.555 2.148 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)N(C)C)CC1 1705643792 STKKFRDVMJNXHH-GOSISDBHSA-N 428.606 2.284 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705804605 HGONWJZAHPWMBL-UHFFFAOYSA-N 449.563 2.471 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705832171 PHJWIBBHQQXEEN-JOCHJYFZSA-N 429.496 2.305 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)C1 1711445882 HLZIZGXAQWJIBX-VQTJNVASSA-N 439.516 2.402 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1712453157 CYIWVUOOKIKPES-XMSQKQJNSA-N 428.537 2.378 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCNC(=O)c1ccc(C)cc1 1712620971 AALQDUQWSPTLCY-IHPCNDPISA-N 440.548 2.479 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1722332654 NQUYYRUHAARJEG-ICSRJNTNSA-N 428.558 2.480 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1722340567 ZGEPBBRDEBYXBO-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOC1=O 1722351402 ILZYWQRFLVGVJQ-UHFFFAOYSA-N 446.552 2.304 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722352384 PYORFEXXWNBIKV-YDZRNGNQSA-N 445.564 2.266 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722366089 PDQJFZCZBQSLNE-MSOLQXFVSA-N 434.537 2.060 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cn2cccn2)cc1 1722372908 CIBZULBCWZQYGS-VWLOTQADSA-N 444.539 2.296 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722403228 NMPJFZFPPLWTMD-NRFANRHFSA-N 436.560 2.047 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)CC1 1722442684 YSBMMZZORYHQOK-UHFFFAOYSA-N 433.541 2.297 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722499188 GBURCSFUOLDFBX-QGZVFWFLSA-N 441.584 2.319 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1722598869 QFZCPQBPYDXNGX-UHFFFAOYSA-N 430.597 2.419 30 10 IEEE C=CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1722646214 KJGUTFXMAZNOBX-UHFFFAOYSA-N 437.591 2.380 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722709691 WDWBZSQQOGRHQL-AZUAARDMSA-N 446.596 2.236 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)C1 1722717939 FLDZZJISPKRDRL-UYAOXDASSA-N 441.532 2.002 30 10 IEEE CCC(CC)[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)OC 1727154232 GZDXOWDRVRARCB-ZWKOTPCHSA-N 441.536 2.495 30 10 IEEE Cn1cc(Nc2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1729580601 ZPWYHCRUGVPPBB-VXPUYCOJSA-N 436.451 2.012 30 10 IEEE COc1ccccc1Cc1nnc(N(C)CC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1730283045 FNXHAXKHDMEJFA-QURGRASLSA-N 438.532 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1740551421 UMCOKNBAXAPZIN-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)[C@H](C)C1 1740575557 SSNHPBWXMWWHLP-HXUWFJFHSA-N 435.576 2.477 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1740626705 CCQZIWNMXOOVPI-YESZJQIVSA-N 438.619 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1C 1740650467 BKQRYLWSMWGXFY-AZUAARDMSA-N 430.516 2.056 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCCC(C)(C)C2)CC1 1740704907 VYYLUYAUDVTIAB-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1740715405 YMOFLHILFNEJBB-IEBWSBKVSA-N 442.589 2.074 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1740751041 XGMXRXQNUUQTFD-RBUKOAKNSA-N 446.596 2.140 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1740800753 ICEKZJOMPQSDNH-UHFFFAOYSA-N 437.976 2.333 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740817409 DMOUQEKOKJJXHW-ULQDDVLXSA-N 425.961 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1740979389 DPKVZPXPYULGAS-WOJBJXKFSA-N 446.573 2.156 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(F)(F)Br 1744688734 CHCVBWWNUJUULU-UHFFFAOYSA-N 443.300 2.068 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)cc(OC)c1OC 1748515123 RAJATDXQGGBIDD-FPTDNZKUSA-N 442.520 2.045 30 10 IEEE C#CCCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1748731249 YEVVWUWYOBMJAL-HSZRJFAPSA-N 436.516 2.269 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1748750469 HRCMBQUOSZGLHK-MSOLQXFVSA-N 444.580 2.473 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2CC(OCC)C2)CC1 1748978840 QKAMIHHMPWZNLX-SLXFGWRHSA-N 445.608 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C)n2)CC1 1749016622 HWBNGWRTVVIWJG-UHFFFAOYSA-N 443.555 2.176 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749027653 QVOCBQXRVIHSNN-HXUWFJFHSA-N 427.574 2.215 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1749120149 AZGXWSYQQZLRLC-POAQFYNOSA-N 445.568 2.370 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1749231341 MPWLHSYOUULRHZ-GOSISDBHSA-N 439.568 2.222 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)CC1 1749330606 ITAUYJGASFCWAC-QHCPKHFHSA-N 433.597 2.443 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)c1ccccc1 1749650062 IGUIANYSTKVXSF-KRWDZBQOSA-N 433.516 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1749735234 QEUZYRJOLRWPIG-UHFFFAOYSA-N 448.980 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CC(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)C1 1750488688 FVZYTCRNGFCGEY-UHFFFAOYSA-N 443.552 2.007 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCOC[C@H]3C)CC2)c1C#N 1751827291 HMNFHWNSJZPMCV-AEFFLSMTSA-N 440.596 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1760268401 JGHFHRGYZPXIES-HDICACEKSA-N 442.608 2.009 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1760499793 KAKFTZDISZQAQN-IBGZPJMESA-N 449.515 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760518196 LUWFAKHMSPBMRT-CJNGLKHVSA-N 446.914 2.002 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(C)(=O)=O)C1 1760550222 VAIUWVVURPYOAH-LJQANCHMSA-N 434.562 2.300 30 10 IEEE CCc1cnc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1762687149 KQSVGUIAJMEWBS-IIBYNOLFSA-N 446.577 2.309 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCOC(C)(C)C 1763043277 BNYJVLUEZXOGRQ-SJLPKXTDSA-N 440.552 2.321 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1763762733 FLDYDZJDDAXUFT-MZNJEOGPSA-N 449.559 2.086 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1765473542 YNWAWKGCFCWSKN-MZNJEOGPSA-N 449.559 2.228 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1767012830 GDYKPPAEAKPYHM-LJQANCHMSA-N 440.548 2.363 30 10 IEEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CC1CC1 1767787947 JZXPIHRSXPTUMG-UHFFFAOYSA-N 434.342 2.312 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1769273927 YGBFLMZPHUWSLW-IRXDYDNUSA-N 427.440 2.071 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1770910993 ABNJRFBULBZPMC-SFHVURJKSA-N 436.520 2.261 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1771297334 BGXNAZFXLYKXOD-QTDGGUCWSA-N 446.596 2.100 30 10 IEEE C=CCN(C(=O)c1cn([C@@H]2CCCN(C(=O)C(F)(F)F)C2)nn1)c1ccc(C#N)cn1 1849736713 UTSLFSSAJKMWIC-CQSZACIVSA-N 433.394 2.103 30 10 IEEE CCc1ccc(-n2nnc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)c2COC)cc1 1851402993 IALNWZKNYFWKSR-GOSISDBHSA-N 434.456 2.220 30 10 IEEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)nc1 1851600693 LGSMBXMLKIWLDG-UHFFFAOYSA-N 435.875 2.222 30 10 IEEE C[C@H](OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1851793781 WJKBHSWZHAWDMV-MAUKXSAKSA-N 446.504 2.421 30 10 IEEE N#Cc1ccc(NC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)c(Br)n1 1852770641 PCCCZVMXSGJJPV-OAHLLOKOSA-N 431.294 2.332 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)C(C)(C)C2=O)cc1C#N 1854775851 YLDADYIWZICSBB-UHFFFAOYSA-N 429.473 2.458 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccccc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855733831 BOFXXEGJKYYXLF-CQSZACIVSA-N 431.901 2.202 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858337700 PSQVYVZCPKYNGP-QGZVFWFLSA-N 449.554 2.087 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc1 1862606879 BSLNCHVLFIIRQC-RNODOKPDSA-N 425.437 2.426 30 10 IEEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863315252 FWAOCCCTTUHTQG-UHFFFAOYSA-N 438.434 2.361 30 10 IEEE CCN1CCN(C(=O)[C@@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868784468 XLDIQGGATTVAIP-CTNGQTDRSA-N 445.633 2.330 30 10 IEEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870151129 MZAOPCGUILJRLV-MRXNPFEDSA-N 444.451 2.446 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCOCC)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871686341 FZQWLHIDMLQFHL-UHFFFAOYSA-N 428.537 2.493 30 10 IEEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561653 UANYFYJYDKZZRE-UHFFFAOYSA-N 444.539 2.484 30 10 IEEE COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccc(C#N)c3)C2=O)cc1OC 1873866351 CZJBFWQRRAFVAW-SFHVURJKSA-N 436.468 2.457 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccnc1 1874273860 HUWPOGUQLXDMIH-SOAGAIGUSA-N 443.577 2.288 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(n3ccnn3)CC2)[C@H]1c1ccc(C#N)cc1 1892110876 FCYFHCMDBZSUDV-RTWAWAEBSA-N 438.557 2.407 30 10 IEEE C=CCC1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1897672490 OFRWYPAQKCCHES-CABCVRRESA-N 425.526 2.039 30 10 IEEE Cc1ccc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 1963040860 IVLVPDJRMYBNOY-LSDHHAIUSA-N 438.255 2.282 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCCO1 1969642183 MBVKUAJQCRFLJQ-AABGKKOBSA-N 428.533 2.295 30 10 IEEE C=C(Br)CS(=O)(=O)NCCC1(OC)CN(C(=O)OCc2ccccc2)C1 1982305052 UTSNSFJQACHIHV-UHFFFAOYSA-N 447.351 2.242 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)C1 2020886491 LQGFJJPMHPVJQG-CVEARBPZSA-N 439.553 2.334 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068510497 JKBPUZQEMBHVQX-YWVIFJGQSA-N 439.372 2.107 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2068910759 FPAWXXZJGHICGS-HNNXBMFYSA-N 438.330 2.233 30 10 IEEE Cc1nn(-c2ncc(Br)cc2C(N)=NO)c(C)c1I 2093909923 SGDMXCFCJADEAP-UHFFFAOYSA-N 436.051 2.346 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)NCCCOCc3ccccc3)c2)OC1(C)C 2247882914 WUSYXYRUIFYTDF-UHFFFAOYSA-N 432.351 2.266 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2255864702 YUXOHGJUJFASBI-KBUPBQIOSA-N 438.330 2.438 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267272398 YWNONAVULBMQGT-JKSUJKDBSA-N 449.332 2.458 30 10 IEEE CCc1nn(C)c(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508233 BJGDKSACFXMLJT-AWEZNQCLSA-N 448.373 2.021 30 10 IEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267583946 YVGLGONZUODSGT-DEOSSOPVSA-N 439.365 2.023 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC[C@]34CC[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2282018410 WUCFUEZNNPERQX-CLOONOSVSA-N 448.376 2.418 30 10 IEEE CCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 2296193915 HAIACQYTCMMVPD-UHFFFAOYSA-N 432.571 2.496 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccco3)CC2=O)cc1 2325882625 REZJDQPAUNEHGM-AWEZNQCLSA-N 427.486 2.367 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2329035007 VHPQZXBEKPBHHO-CQSZACIVSA-N 446.489 2.058 30 10 IEEE C=CCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 2912044 AULWWXMLVRDRET-UHFFFAOYSA-N 431.514 2.248 30 10 IEEE COc1cc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2O)cc(OC)c1OC 38622086 LMQGSDOJRUHTDR-UHFFFAOYSA-N 435.436 2.434 30 10 IEEE COCCc1nc(-c2ccc3c(c2)N(CC(=O)N(C)CCC#N)C(=O)[C@H](C)O3)cs1 40609449 AQIJQLSGPRNJHP-AWEZNQCLSA-N 428.514 2.485 30 10 IEEE Cc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59887544 QIRIDWUAZMBWEW-KEBDBYFISA-N 428.522 2.096 30 10 IEEE COc1ccc(Cc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)nc2O)cc1OC 253532076 ZSZQEBFFMBNYID-UHFFFAOYSA-N 426.389 2.245 30 10 IEEE CN(C)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254750593 DLSFOPHBFKHDCH-MOPGFXCFSA-N 445.566 2.433 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(CCO)[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 428533765 DUONVESJPFPDLI-HNNXBMFYSA-N 435.981 2.402 30 10 IEEE N#Cc1c(F)ccc(C=c2sc(=CC(=O)C3CC3)n(Cc3ncccn3)c2=O)c1Cl 432247055 QIDUQCDHKVOXQX-UHFFFAOYSA-N 440.887 2.001 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 460768536 HMLWMKXOINXWPW-IBGZPJMESA-N 431.562 2.380 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(F)cccc2CC)c1=O 478760553 PZRCZCIIAYPKCD-UHFFFAOYSA-N 445.560 2.066 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2=O)cc1 487414339 PZPUSMNXOCFZOV-MOPGFXCFSA-N 428.558 2.403 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(C#N)c(Br)c1 488005920 KGBDZYDUPCLVEQ-TUVASFSCSA-N 436.262 2.278 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NCCOc3ccc(C#N)cc3)CC2)cc1 493602579 OOGLWNZWDMKOAV-UHFFFAOYSA-N 442.541 2.338 30 10 IEEE Cn1c(CCC(=O)N[C@H](C#N)C2CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 505938228 LIQIOFFQPUWOGK-GOSISDBHSA-N 429.546 2.099 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCC(C)(C#N)CC1 507837713 MHUWTCUMXIKFEU-IBGZPJMESA-N 435.546 2.303 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 508793469 HYAZLKUINLYTFB-INIZCTEOSA-N 427.534 2.250 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cc1F 532755847 XNOMUSGGJGNHGR-MRXNPFEDSA-N 426.513 2.266 30 10 IEEE CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586858934 MRLFSRLZNFBFBC-FCHUYYIVSA-N 443.567 2.109 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(F)cc1 590973456 SWUPGGMERZMQRJ-UHFFFAOYSA-N 443.450 2.346 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)cc1C#N 609202685 RGVDYTAJYJSYEF-UHFFFAOYSA-N 425.558 2.271 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)cc3F)c2)C[C@@H](C)O1 609229885 CRMJGKSVQZBWFK-GASCZTMLSA-N 431.489 2.425 30 10 IEEE C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669806966 GQOHUJRCYTUKTE-KNQAVFIVSA-N 438.576 2.340 30 10 IEEE C=CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669814309 BQAYKMNEHSJZEB-LAUBAEHRSA-N 426.540 2.183 30 10 IEEE C#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 729332128 UDJAYHFXCWDHDY-AWEZNQCLSA-N 425.919 2.131 30 10 IEEE CN(C)Cc1cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 734445791 OJMUXTILZALNTL-UHFFFAOYSA-N 432.521 2.022 30 10 IEEE CN1C(=O)C[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)[C@H]1c1cccc(Cl)c1 734703471 AWBZTSGOXGDQNF-PKOBYXMFSA-N 431.901 2.377 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccc(C(=O)NO)cc2)cc1 746268887 QDXAOBGZLZDGST-IBGZPJMESA-N 433.530 2.123 30 10 IEEE CC(=O)N1CCN(C(=O)[C@H](C)ON=C(N)c2ccc(COc3ccccc3F)cc2)CC1 749791924 LYLUEPORMYCGCO-INIZCTEOSA-N 442.491 2.121 30 10 IEEE C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cncc3ccccc23)c1=O 758051699 XDDBGSFISHXTDA-UHFFFAOYSA-N 436.496 2.233 30 10 IEEE CC1CCC(N2C[C@H](C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)CC1 787059787 HHPZBTAUIYFMSX-JWBIFMHMSA-N 426.473 2.347 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCSC2)C1=O 790283914 WRJUZSLMENVIND-CRAIPNDOSA-N 445.614 2.311 30 10 IEEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801290987 MEMZMCFAVWBPEU-NRFANRHFSA-N 438.507 2.265 30 10 IEEE CC(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802672014 ZNKGEUGSNHNEBB-KRWDZBQOSA-N 442.593 2.071 30 10 IEEE COC(=O)CCCONC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 808821161 XBCUNKCUUNFUHU-XLNRJJMWSA-N 440.522 2.286 30 10 IEEE CCNC(=O)COc1ccc(C=NNC(=S)NCc2ccc(OC)cc2)cc1OC 916283239 RDTXPQRQFNHEAN-UHFFFAOYSA-N 430.530 2.217 30 10 IEEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1129224627 HUXQCBCTRINJJS-UHFFFAOYSA-N 440.521 2.156 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 1160053129 YWSHEQWWKUIGDF-IBGZPJMESA-N 441.532 2.018 30 10 IEEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1166591293 HPAFKTAVFYNUNQ-UONOGXRCSA-N 428.411 2.271 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)C2)nc1 1228011787 VQZUZSMDZJHDOF-KRWDZBQOSA-N 432.484 2.225 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286344631 IALIKHWSWBAEJE-LJQANCHMSA-N 441.532 2.107 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286392840 HOEXBBHBVRMTAM-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1COCCO1 1286419379 VDQBUMWCPDROGA-NRFANRHFSA-N 435.528 2.416 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC(F)F 1286420814 LGTFDSLSJYYQMU-UHFFFAOYSA-N 436.484 2.093 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN2CCOC[C@@H]2C)CC1 1286472130 FEGRMOQLSYTITF-JTHBVZDNSA-N 436.604 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2cc(Cl)cn2)CC1 1286474419 JDRMOAPEJMOLGO-UHFFFAOYSA-N 425.924 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286562290 JVRCSSNQBKHQGL-ISHFTEKXSA-N 433.597 2.442 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286593600 NFWZUTNMOLKZTM-HOTGVXAUSA-N 428.541 2.195 30 10 IEEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286702904 TZDYGNLSCOSTMQ-SFHVURJKSA-N 426.496 2.447 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCS[C@H](C)C1 1286822006 FZMMAFOMOVCGAG-QGZVFWFLSA-N 436.603 2.442 30 10 IEEE CC(C)COCCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287841902 NDRUUGNHBGVWSH-UHFFFAOYSA-N 434.504 2.333 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(OCC(N)=O)c2)cs1 1290382047 QHSUYKOUNYGQHK-CQSZACIVSA-N 439.545 2.285 30 10 IEEE C[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CN(C)C(=O)OC(C)(C)C 1293609227 JYOITMYZPBXURY-CYBMUJFWSA-N 427.498 2.356 30 10 IEEE CCN(CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F 1295865570 DBGPYEAFSZOVSH-SFHVURJKSA-N 445.465 2.117 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1300324175 AUSABZSJHUDCND-VQIMIIECSA-N 432.546 2.291 30 10 IEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300366924 SCALTZBSOLCQTC-FQEVSTJZSA-N 434.544 2.454 30 10 IEEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300398823 AUSAVZCAWBXBAR-KRWDZBQOSA-N 426.908 2.485 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300403466 MBGMLFAIXQMJRS-QGZVFWFLSA-N 447.543 2.100 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1OCC(F)F 1300430992 CACUAAVLBHBNDE-OAQYLSRUSA-N 435.475 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCCC2)c1 1300506229 PXYOQWFTBYQEAN-UHFFFAOYSA-N 432.528 2.352 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](OC)C(C)C 1300512979 PDUXWVRJIMUOQR-GOSISDBHSA-N 442.589 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1CC 1300664945 WCUCLUIRILNCTG-QGZVFWFLSA-N 435.532 2.164 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCO[C@H](C)C2)n1 1300681637 WEZWSCVXDUBYOV-HSALFYBXSA-N 442.564 2.080 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[C@](C)(O)c2ccccc2)CC1 1300703085 ABAKIMPYKIUCBF-VWLOTQADSA-N 430.556 2.317 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Cl)CC1 1300710484 CUOYDKGAZAIYBI-UHFFFAOYSA-N 442.951 2.084 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1300742493 KMSXOOIHOLQVKW-HZPDHXFCSA-N 431.587 2.441 30 10 IEEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)CC1 1300839035 CAQGXWIPZXUYHK-UHFFFAOYSA-N 442.321 2.366 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301485493 WHJKBYROJKZWJB-MRXNPFEDSA-N 443.529 2.007 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1302168192 APGKUOKFEURRHK-LJQANCHMSA-N 437.504 2.383 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1302982879 RSSFICMCINDBKN-LEWJYISDSA-N 425.533 2.346 30 10 IEEE C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1303732529 JUKJLEGEQGNIEO-QGZVFWFLSA-N 436.589 2.474 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C1OCCO1 1316101531 LZWSZPVLEQUELX-GOSISDBHSA-N 427.505 2.242 30 10 IEEE Cc1cc(=O)c(-c2noc(CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)c2n1CCC2 1324070369 SPWHGIOHDOWVAX-INIZCTEOSA-N 444.451 2.082 30 10 IEEE Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1349461372 BULBCEHIYDPONL-SNVBAGLBSA-N 425.415 2.236 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCSC2)c1 1358901657 RVRBFDQYRSMHJQ-JOCHJYFZSA-N 436.541 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1358976659 MLFDOXZVYTXGRK-IQGLISFBSA-N 444.539 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCOCC1 1358980776 JMUVNWPNBQBXPR-UHFFFAOYSA-N 440.551 2.217 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1359000098 LMKMUBQXTIVLRR-CQSZACIVSA-N 425.942 2.080 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1359010660 VVRVVZVKFPSXGY-RXVVDRJESA-N 425.533 2.218 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359037100 VRRVXYLRSUAOJI-DEOSSOPVSA-N 434.544 2.137 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359056814 MBIPRCAGDICZFM-RTBURBONSA-N 441.605 2.434 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1359281598 FEVQEWKVKKKLJI-IBGZPJMESA-N 425.533 2.145 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1359299595 IZQVGRJWFNKBMI-UYAOXDASSA-N 425.533 2.361 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1359374540 GUNCMRPBQGFLQX-UHFFFAOYSA-N 447.547 2.270 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1Cc1ccccc1 1436730024 ZWEMXSFPOIAVQL-XMSQKQJNSA-N 445.523 2.496 30 10 IEEE N#C[C@@]12CN(C(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1439609491 BKWUZHPAMTUTDP-GTNSWQLSSA-N 442.394 2.041 30 10 IEEE O=C1C=COC2(CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)C1 1439726793 LEPUKGJGCYXXHL-UHFFFAOYSA-N 432.542 2.268 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)s1 1445603531 ZJZLVDXSQCIZGV-GOSISDBHSA-N 436.555 2.364 30 10 IEEE C#CCN(C(=O)c1ccc(N2CCOCC2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455811856 BCJUGVMWDWADTE-UHFFFAOYSA-N 428.533 2.393 30 10 IEEE Cc1cc(O)nc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n1 1460796196 VZUNAOKFBPBWMB-UHFFFAOYSA-N 426.546 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CCOC2(CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C1 1464669445 AQOZQOIFXOYIOT-UHFFFAOYSA-N 427.548 2.410 30 10 IEEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1465073969 DTGOPSDZGWFYCG-PXNSSMCTSA-N 436.516 2.438 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 1469872939 XVGOWGBOQCFQMW-FQEVSTJZSA-N 433.505 2.290 30 10 IEEE C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1469979326 NJOQOZHQYMOHBG-BZSNNMDCSA-N 425.426 2.286 30 10 IEEE C#CCN1CCC(NC(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)CC1 1471938637 UHYCTKFQFWSLKW-OAHLLOKOSA-N 448.361 2.131 30 10 IEEE COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@](C#N)(c4ccccn4)C3)CC2)cc1 1473703773 YYQYCOSIJHFSBB-RDGATRHJSA-N 435.572 2.130 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)OC 1497386058 SQMRBOMTLUTHHA-NJAFHUGGSA-N 427.461 2.268 30 10 IEEE CCC1(CC)CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1497690195 ZBKDFRBFVQUSFG-ZZEZOPTASA-N 438.536 2.222 30 10 IEEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)cs1 1498418144 MUNVVOSJYQIRCO-CYBMUJFWSA-N 437.595 2.086 30 10 IEEE Cn1cnnc1Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1503672018 DZPQDKRXTAEBEN-UHFFFAOYSA-N 433.564 2.336 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1 1503785445 BTCNZNDPYYHOSL-UHFFFAOYSA-N 432.532 2.260 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1504409635 DUNVECZQEGHOBB-ICSRJNTNSA-N 441.532 2.049 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1504997460 DMMQGFHGKPXQLR-WMLDXEAASA-N 437.447 2.381 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1507569050 BZMNZDZQCJVZAR-UHFFFAOYSA-N 432.594 2.347 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)CCCN2C)[C@@H]1CCS(=O)(=O)C1 1507622170 GSHZSOCIWMRIES-HXUWFJFHSA-N 441.601 2.459 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507629846 XBAJTWVEXJPVAB-AEFFLSMTSA-N 433.578 2.204 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634184 WZMPOLDQBZFOGA-RTWAWAEBSA-N 442.585 2.432 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2cncn2)CC1 1507732424 HAMVWYAJBWNQAT-UHFFFAOYSA-N 442.980 2.271 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](OCCOC)C1 1507804664 LSCIQMRMQVEYJO-SJBKTWHCSA-N 427.549 2.487 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cnccn2)nnc1[C@]1(OCC)CCOC1 1507812740 YWMZOVGUNWTMTB-JLMWRMLUSA-N 428.537 2.338 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1508006559 HWADEQFHJDGABC-NVXWUHKLSA-N 449.602 2.308 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccco2)C1 1508073529 OADCYIRCLWZBTJ-GOSISDBHSA-N 438.444 2.326 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508075057 VNBVXHSABXHZMY-NVXWUHKLSA-N 425.489 2.234 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1508079103 OBVDXWWPSVEWSE-IYBDPMFKSA-N 429.521 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C)s1 1508131102 YMESLJKELRYOQH-UHFFFAOYSA-N 437.591 2.121 30 10 IEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508165796 YJKJSKFSLIOIND-UHFFFAOYSA-N 441.648 2.321 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCCOC1 1515186885 NVBRQUGSBSMMIZ-IXDOHACOSA-N 425.526 2.438 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1517694253 ZNDQEFUDHHTXCW-INIZCTEOSA-N 445.911 2.201 30 10 IEEE CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1529574395 SYFFSEYVWYSUQI-FDDCHVKYSA-N 440.500 2.344 30 10 IEEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 1534823070 AJMOIKGZNLSLCN-UHFFFAOYSA-N 431.539 2.231 30 10 IEEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CCOCC1 1537957483 JYVYRLJJVWMMDG-UHFFFAOYSA-N 434.558 2.175 30 10 IEEE Cn1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(-c2ccc(C#N)cc2)n1 1538243343 XLVSFGAVVJDHOZ-XMMPIXPASA-N 442.479 2.042 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC(N)=O)CC1 1539052801 SYKFEPNSXRXKQP-UHFFFAOYSA-N 426.477 2.128 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1noc(CC)n1 1539422502 DVGMUNMKTUNVCQ-VQIMIIECSA-N 430.553 2.471 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COc2ccccc2)C1 1539512660 FVUGQXBHVRGHQW-FQEVSTJZSA-N 438.557 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539636857 MFFOGTIWPLAEQE-SBHAEUEKSA-N 445.589 2.259 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540035705 HFVPNOGNKCYARY-OAQYLSRUSA-N 443.596 2.211 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccco2)C1 1540901653 LJUUKKVKDZYZHT-IBGZPJMESA-N 443.529 2.420 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1541115549 BDMWKNSCSMHUMS-WMZOPIPTSA-N 431.562 2.414 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1556160008 MYMKDFHJZVTHDE-INIZCTEOSA-N 431.424 2.278 30 10 IEEE Cn1cc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(-c2ccc(C#N)cc2)n1 1556163254 VTKMKQPXEBDESP-UHFFFAOYSA-N 437.456 2.325 30 10 IEEE Cc1c(I)cc(Br)cc1C(=O)N[C@H]1CCN(O)C1=O 1556750887 YZGXONJHWQJTIQ-JTQLQIEISA-N 439.047 2.082 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1564722420 UQDZXYVJWHVUIG-CQSZACIVSA-N 428.352 2.233 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1587750127 RUYMNOBGBXALNE-OAQYLSRUSA-N 431.544 2.425 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1587766567 XAMYJHUUUYLFBS-MOPGFXCFSA-N 439.564 2.373 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588034770 LSIRPEAFWALJFU-QFBILLFUSA-N 446.573 2.109 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1588060037 YEPBIIDQDUTPQZ-DWLFOUALSA-N 434.606 2.309 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1=CCCOC1 1588698063 YDLNPKWFNNRIHZ-KDURUIRLSA-N 445.564 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C(CC)CC)N(C)C)CC1 1588930047 MDCURWNBSYBPPX-NHCUHLMSSA-N 444.624 2.114 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1589110385 UFVVDUDASHSXRV-IBGZPJMESA-N 438.557 2.200 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)CCCNC(=O)C1CCC1 1589404835 MGOFOCMMTLGLOC-OAHLLOKOSA-N 426.359 2.433 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595496728 FNJLMZJUDSBCQR-KRWDZBQOSA-N 437.504 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CC(N)=O)C1 1595506753 LQPPHSISPGUTPH-AWEZNQCLSA-N 446.939 2.001 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)C1 1595673882 KXLIEPYMEHLCHL-RKXCMPKHSA-N 446.577 2.254 30 10 IEEE COc1ccc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CCO2)cc1 1595818353 RLJIWMNYGQHPSV-FQEVSTJZSA-N 429.498 2.101 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1596788939 DSUINNZBMDTAEA-IAGOWNOFSA-N 444.511 2.402 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)c1 1597365223 UIHYIXQZXRAAIJ-UHFFFAOYSA-N 432.586 2.448 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)NCC1CC1 1602821557 CQXFDVNMBGAFEY-UHFFFAOYSA-N 425.512 2.265 30 10 IEEE C[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612767574 VUCRGUNDOQQVEV-BFQBXFRASA-N 435.532 2.417 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCOC1 1617779608 BPCDQUWHUUJWRS-ZQHDKMAOSA-N 429.546 2.255 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1618038178 UWVFGSHUISOZCJ-UHFFFAOYSA-N 438.504 2.190 30 10 IEEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCCC1 1620423677 QUUQJRGTVUYCOP-UHFFFAOYSA-N 433.574 2.201 30 10 IEEE N#CCc1ccc(OC[C@H](O)CN2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1 1620465293 QDFIIFMVIHXXQL-GOSISDBHSA-N 439.466 2.469 30 10 IEEE C#CC[C@@H]1CCN(S(=O)(=O)c2cc(C)c(I)c(C(=O)OC)c2)C1 1622561710 JUZUNEXDLNZQOI-GFCCVEGCSA-N 447.294 2.420 30 10 IEEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1628895312 SGJNSOYXOSOTLC-HUYLIWGRSA-N 426.492 2.098 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1F 1631042329 FSPHZVKPRCSBLY-LXZKKBNFSA-N 439.509 2.028 30 10 IEEE C#C[C@H](NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CCOCC1 1632226477 LLTCSAQUVBACBF-SFHVURJKSA-N 439.603 2.193 30 10 IEEE COc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1S(=O)(=O)N1CCCC1 1634255541 VFZDMUGNMHMQDV-UHFFFAOYSA-N 440.525 2.288 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 1636468940 FOPXFRIDCFLABG-ZDUSSCGKSA-N 434.290 2.107 30 10 IEEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1636660861 USRHDEWLTOUSCG-UHFFFAOYSA-N 442.940 2.257 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 1640376085 KRGIDNHHWONOCM-ZACQAIPSSA-N 431.599 2.460 30 10 IEEE N#Cc1cn(C2CN(C(=O)CSCc3ccc(Cl)cc3Cl)C2)c(=O)nc1O 1640636382 DMBVLKUPLLFYNB-UHFFFAOYSA-N 425.297 2.444 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1640916869 XGXLDJKQUFAVAK-FCHUYYIVSA-N 441.553 2.292 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1644462942 UORGABURFMMNSX-BBRMVZONSA-N 425.323 2.360 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1650972014 FKYAUUCWKJFKKR-LBPRGKRZSA-N 437.345 2.071 30 10 IEEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)c2)no1 1651134619 JAIWSEDAGBZNRM-IBGZPJMESA-N 440.481 2.461 30 10 IEEE CN(CCOCCN(C)C(=O)OC(C)(C)C)CCS(=O)(=O)c1ccc(C#N)cc1 1654272762 KBIJKXZGMGYNLT-UHFFFAOYSA-N 425.551 2.147 30 10 IEEE CN(CCS(=O)(=O)c1ccc(C#N)cc1)C1(CNC(=O)OC(C)(C)C)CCOCC1 1654925661 DPHGFLWOZTXGEP-UHFFFAOYSA-N 437.562 2.338 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)nn1 1656352957 MZLLYAZZRZKJKX-HXUWFJFHSA-N 447.561 2.465 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 1665337237 KMFGTOARWZYYPV-SFHVURJKSA-N 435.546 2.420 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1672712346 PGPVISNIZGYGMU-CYBMUJFWSA-N 433.324 2.291 30 10 IEEE Cn1cc(C(=O)NCC2CCN(C(=O)Nc3ccc(Br)c(C#N)n3)CC2)cn1 1673540537 BXQPIRJNSCAPBO-UHFFFAOYSA-N 446.309 2.123 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccccc1 1675617590 LJDILGFZTOPWMW-LJQANCHMSA-N 442.541 2.270 30 10 IEEE COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NCC#CCO)cc1F 1684766485 UYYKTVILNBVCPL-WMZOPIPTSA-N 435.496 2.222 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1)c1ccc(Cl)cc1F 1686922859 ROCNYCISSCGNCL-MRXNPFEDSA-N 429.887 2.330 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H](C)N1CCOCC1 1689864437 AFGRNGNHGKKTMO-OALUTQOASA-N 427.549 2.434 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1689901675 OFJAGKBUYHWJJA-YADHBBJMSA-N 439.608 2.490 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1689944475 RPMLZOKFVLLUIN-MRXNPFEDSA-N 439.520 2.394 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689996266 GEUPNRYRZHTZDR-FFZOFVMBSA-N 444.605 2.203 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1689999851 JUOUNDPVZHJNOZ-QAPCUYQASA-N 449.964 2.002 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 1690125253 DJMKHNRJJVYZOV-HNNXBMFYSA-N 437.441 2.327 30 10 IEEE C#CCSCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690186449 QJANPPDZBPSHSF-QFIPXVFZSA-N 449.621 2.038 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1690578011 PUZUQYOOBZRVST-QGZVFWFLSA-N 431.562 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1CCOC1 1690723138 JFJWOFOAIOFGSZ-KRWDZBQOSA-N 443.529 2.426 30 10 IEEE CC(C)CSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1692462900 UTYFAPCURBUJDC-UHFFFAOYSA-N 428.562 2.396 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)C1 1697045207 LHIITFUEKXOEDK-GOSISDBHSA-N 445.545 2.031 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1697962418 QWLYBQAKNIQHTI-MBSDFSHPSA-N 438.532 2.070 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)OC 1698058237 CUKQLGICYGBIFT-ZDUSSCGKSA-N 425.331 2.447 30 10 IEEE COCCOCCn1c(-c2cnccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1698223121 AAKCWONIRPUFNX-UHFFFAOYSA-N 449.515 2.318 30 10 IEEE CS[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1698348416 DUMFTFQYRZOPLV-WMLDXEAASA-N 430.582 2.121 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccccc1 1705498954 HTTOPZPPVLTDAK-INIZCTEOSA-N 429.571 2.367 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705536149 JGICDFJUIIVLNW-UHFFFAOYSA-N 426.525 2.303 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566379 NGKBZBVZBUNUOI-MOPGFXCFSA-N 432.521 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1n[nH]c(C)n1 1705591977 NHAKNXSSTBSFBN-UHFFFAOYSA-N 425.500 2.467 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2nccs2)CC1 1705635166 SHQNQZXCJTVCFU-XMSQKQJNSA-N 444.605 2.334 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)[C@H](C)CCC)CC1 1705641073 PEFZSJWMRHQBHO-OAQYLSRUSA-N 436.604 2.485 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705739853 UAMYTROLKGHLRO-IBGZPJMESA-N 442.568 2.043 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705751159 BSUSCMSUOOAAJN-HNNXBMFYSA-N 427.958 2.066 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(N(C)C)CCSC1 1706302058 KRFMHDNFDRRVJV-NRFANRHFSA-N 427.578 2.374 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CCC(C)(C)O 1706996749 AYEAXOKHVDUJQY-CQSZACIVSA-N 433.582 2.304 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1708129501 CQOGHLPVTMHTJO-SSMANRBRSA-N 435.532 2.273 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCn2cc([C@H]3CCOC3)cn2)CCOC1 1710416899 NUNMZVMMFZEQTO-NPPFBWRTSA-N 443.552 2.069 30 10 IEEE CN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1711046594 VITXYESBIVVCTG-OAHLLOKOSA-N 445.476 2.132 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722317722 ILLUXWPLDBAUAW-SBUREZEXSA-N 442.564 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722395689 AIYVWRRIEDSLNB-IRLDBZIGSA-N 447.539 2.411 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1722426028 VSJNTHDVLXQNDN-GCJKJVERSA-N 437.544 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722499037 GWEQXOKWKQNIFB-UGKGYDQZSA-N 437.548 2.389 30 10 IEEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1722597322 RWKWJEZOVVVORZ-IBGZPJMESA-N 433.578 2.256 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722643085 YGBORXDFDHWTKH-UHFFFAOYSA-N 440.953 2.072 30 10 IEEE C=CCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690237 CAUDLEMOCAIRSP-BHYGNILZSA-N 445.568 2.275 30 10 IEEE Cc1nc(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CC[C@@](F)(C#N)C3)cc2)n[nH]1 1725201458 JPWMDLQPAPWQKV-OAQYLSRUSA-N 437.483 2.000 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)cc1OC 1730071682 BNXPURYWJOVXJX-QFIPXVFZSA-N 442.495 2.450 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC[C@H]1C 1730408420 VBBZODWNBIKTNE-APWZRJJASA-N 426.521 2.115 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740622509 YZYUWNAPDBOPKB-IPMKNSEASA-N 445.589 2.116 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1740623093 NZPVUDVRUBLIKZ-INIZCTEOSA-N 448.618 2.284 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1740628093 NFZPXPYHERKNFX-DOTOQJQBSA-N 447.561 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740636885 HHBLKYIDYUZBRK-MJGOQNOKSA-N 435.532 2.453 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCCOC)cc2)CC1 1740693751 LHUJXRVMEAHGLJ-UHFFFAOYSA-N 432.528 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCn2ccnc2C)CC1 1740708312 LFIRWCTWWGTRHF-UHFFFAOYSA-N 437.573 2.101 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740716112 MHAIQQJFDMPLGY-IBGZPJMESA-N 444.649 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1 1740726772 NPKGGIUJXMGEBM-JOCHJYFZSA-N 438.557 2.317 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCC1=O 1740735851 HJDFYYKOHJCCDA-GREBRCKQSA-N 429.565 2.397 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1740932581 RJUUHTOPHNIORB-MRXNPFEDSA-N 442.545 2.114 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnccn1 1740954227 GPCJRLZFXCLNQI-UHFFFAOYSA-N 448.350 2.498 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCc3ccccn3)CC2)c1C#N 1742668530 ARKMLQPPPGSOTE-UHFFFAOYSA-N 433.564 2.454 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748747976 QGBBIZSKQCEZSZ-IEBWSBKVSA-N 435.484 2.374 30 10 IEEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1748752043 QYNMLEGBCYOHCS-UHFFFAOYSA-N 442.608 2.220 30 10 IEEE C#CCN(c1nnc(C)n1CC(C)(C)N[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805164 PDHWYUNRXWRITC-PXNSSMCTSA-N 429.590 2.343 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCCC1 1748836275 SLJITCDKYVQPJQ-JOCHJYFZSA-N 443.559 2.114 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC(C)(C)C1 1748848543 IVUCHIPZALVAND-UHFFFAOYSA-N 427.499 2.331 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCC(=O)NCc1ccccc1 1748897246 YTXMDSCQBYJJRX-UHFFFAOYSA-N 426.524 2.433 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCS(=O)(=O)C1 1748953948 YARYZCJVHXGYLG-INIZCTEOSA-N 428.514 2.212 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748962142 ASPXQFSWHLNIDW-VQTJNVASSA-N 449.621 2.226 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(C)CN(C)C1=O 1748968645 HUAGPWBJCREYAC-QFIPXVFZSA-N 427.574 2.443 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1749488686 LNUQWRABYHDFKX-IBGZPJMESA-N 438.580 2.333 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCOC1 1749531885 NHLMNDBOVUMPJM-DEOSSOPVSA-N 430.512 2.480 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1750485038 HWLXMRYAQPVFLX-IAGOWNOFSA-N 438.488 2.236 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1752320661 BGRGEGQMGQIXNO-WFASDCNBSA-N 443.451 2.017 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)SC 1760247502 DDAJBPLWXAPKQW-UHFFFAOYSA-N 440.573 2.420 30 10 IEEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1760471490 XAUVJXAFOZEEJP-GHTZIAJQSA-N 438.594 2.441 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1760495217 HYXTZJYOZYBZMF-KRWDZBQOSA-N 435.594 2.007 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760867547 YIUPEIGGBIMIHT-XMSQKQJNSA-N 426.521 2.462 30 10 IEEE CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1761260267 RTQVZZLFIDXADR-VQTJNVASSA-N 449.559 2.085 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCNC(=O)c1cc[nH]n1 1764864274 NTJYRHNBJJNBHK-LJQANCHMSA-N 432.532 2.324 30 10 IEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)NC)CC1 1772554846 YHDDUKHURSEVGV-UHFFFAOYSA-N 445.593 2.085 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1772564346 ITSBWDGJQPQAMV-OAHLLOKOSA-N 439.582 2.202 30 10 IEEE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)ON1C(=O)c2ccccc2C1=O 1772789686 WVLWLEPBGBYBEJ-UHFFFAOYSA-N 443.264 2.416 30 10 IEEE Cc1c(C(=O)N2CCN(CCC#N)CC2)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 1848510604 LAGCDCJEZYINJQ-UHFFFAOYSA-N 432.488 2.175 30 10 IEEE C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)n1nc(-c2ccc(F)cc2)ccc1=O 1848858114 IOOWWWTXYOPOCM-MRXNPFEDSA-N 432.459 2.226 30 10 IEEE Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1C 1853952687 FZDHFGADOVGRLN-UHFFFAOYSA-N 425.510 2.167 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(CCC(F)(F)F)CC3)CC2=O)CC1=O 1855589657 BLCYIKZQZXCPNL-SJORKVTESA-N 429.483 2.451 30 10 IEEE C[C@H]1C(=O)N(C(=O)C2CCC(F)(F)CC2)CCN1S(=O)(=O)c1ccccc1C#N 1855735162 GKYKSOOPSPIQFA-ZDUSSCGKSA-N 425.457 2.132 30 10 IEEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN([C@@H](C)CCC#N)[C@@H](C)C2=O)cc1 1856281508 BFAHHPPDUAYSAI-IRXDYDNUSA-N 435.546 2.001 30 10 IEEE N#Cc1cc(C(=O)N2C[C@H](CN3CC[C@@H](Oc4cnccc4Cl)C3)CC2=O)ccn1 1856307894 ZNVFBRUQGYUMRE-WMLDXEAASA-N 425.876 2.144 30 10 IEEE COc1cc(C(=O)N2CCC(=NCC(=O)O)CC2)c(Br)c(OC)c1OC 1857846771 YUOQCAIPHYUKRL-UHFFFAOYSA-N 429.267 2.237 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1859472109 YOTOACNXVREQCH-UHFFFAOYSA-N 432.498 2.290 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 1862573946 KMYDZHBPTZXZNJ-HXUWFJFHSA-N 441.436 2.046 30 10 IEEE Cc1nc(SCc2cc(=O)c(OCC(=O)NC(C)C)cn2CCO)c(C#N)c(C)c1C 1870285705 JFGOWIQUKJDABV-UHFFFAOYSA-N 444.557 2.228 30 10 IEEE C=CCn1nc(C(=O)N2CCC[C@@H](C(=O)OCC)C2)c(I)c1C 1871335925 FZELZHFPMUTVCL-GFCCVEGCSA-N 431.274 2.397 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2010226014 WELUUEPTVRIWNI-IXDOHACOSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060622026 UTBGSMODGXJIOG-NNXHMXCWSA-N 436.358 2.467 30 10 IEEE C=CC1(NS(=O)(=O)c2cc(N)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2075319588 WOVAKARWRCTWSO-UHFFFAOYSA-N 432.340 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(Br)cc1C#N 2141248436 QBGPFOQCXRFOTL-ZDUSSCGKSA-N 425.283 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141665874 QVMOVYJRTUGZGC-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE C=CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(Br)c1=O 2172905574 UXXFRBGIWIKRGF-GXTWGEPZSA-N 443.342 2.222 30 10 IEEE Cn1nc(CN=C2NC[C@]3(CCCO3)CS2)c(I)c1Cl 2194012955 YUVOYRIPWLLBOX-GFCCVEGCSA-N 426.711 2.420 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216449004 HYVLHIJFJONINR-WCJKSRRJSA-N 439.553 2.027 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224126781 BJEUDGLWMVKBAT-IAGOWNOFSA-N 433.358 2.309 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2227033647 NEYRPOLPOQIKBD-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2237387375 VJYAEORTUPXJGH-GJZGRUSLSA-N 439.306 2.478 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243422387 CXJIQILMEJJHJC-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2COCCN2Cc2ccccc2)C1 2247563632 BSMFXOKDEQCUQJ-WLBKGHODSA-N 427.545 2.310 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255647686 CFLPFGSWSBUDOH-NEPJUHHUSA-N 430.232 2.108 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(=O)OC)Cc2ccccc2)n1 2255659223 PAPXGYOSOBHSCQ-UHFFFAOYSA-N 427.310 2.018 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267089239 BMUSUKRPSYTPAZ-AWEZNQCLSA-N 448.373 2.332 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267127500 JKQDAUCBLBUMNB-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267144179 SJLNBBUNHHBTNE-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE Cn1cc(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267504594 VBIRLXSOVVIAJN-OAHLLOKOSA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)NCC[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267544835 ZRFASMJFELYLFX-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548739 UNFXKLQQXVRRRD-OAHLLOKOSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267590578 QQGSTDZVDRTFTR-ROUUACIJSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C1(O)CCC1 2268705900 HNPOLLZBDUQDAK-INIZCTEOSA-N 447.341 2.128 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCOC1 2268716865 HQCDQYQDECBOLT-WMLDXEAASA-N 447.341 2.249 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2268793964 OYDRWOJGSIUZEI-GOSISDBHSA-N 448.369 2.220 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)N[C@H](CO)C(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2O 2297639230 DZPROHKVTKFBQP-GRZAQXMDSA-N 448.560 2.244 30 10 IEEE Cn1cc(C=C2Oc3cc(OCC(=O)NCCCNC=O)ccc3C2=O)c2ccccc21 2329777415 XJZIDPHOWISWPZ-UHFFFAOYSA-N 433.464 2.426 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2337195458 YREIPIUUQJTZQA-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCCN1C(=O)OC(C)(C)C 2337204368 KKTPJDZDBVHKMX-CABCVRRESA-N 448.373 2.237 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)c(OC)c1 20807061 KOIBMXSXHDTDMC-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE COC[C@H](C)N/C(=N/N)Nc1ccc(Br)c(I)c1 302483066 ZSFAMZZBWXHLKF-ZETCQYMHSA-N 427.084 2.320 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 409725381 HDSZKTBRBMZXBN-ZBFHGGJFSA-N 443.529 2.402 30 10 IEEE Cc1c(F)cccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 434546063 DVXRLPLUMMNYRJ-UHFFFAOYSA-N 430.505 2.341 30 10 IEEE CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccnc(CN2CCN(C(C)=O)CC2)c1 440719531 QFAPDQQBLMIIBR-SFHVURJKSA-N 435.528 2.438 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCCN4CCN(C)CC4)cc3)cc2C1=O 464561193 OUIACXZUTZXHIE-UHFFFAOYSA-N 448.523 2.347 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)ccc21 470530432 HZTFBVBSKTZJIN-LJQANCHMSA-N 439.516 2.171 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccncc4)cc3)C2)nc1 490049398 VWIFSEFUMLJQTC-LJQANCHMSA-N 449.492 2.443 30 10 IEEE CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 506783631 YCPYAPJSDJQDKJ-VFNWGFHPSA-N 435.525 2.073 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508800408 FRNSLENLVXNPAX-QHCPKHFHSA-N 436.516 2.152 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)CC2)cc1 525578903 NWJARFKIJQONSL-PKOBYXMFSA-N 431.464 2.473 30 10 IEEE COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)CCCC#N 536087208 AASYTSQNGGWJAL-CQSZACIVSA-N 428.308 2.238 30 10 IEEE COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c1=O)OCO2 546073807 WSHFFIPLZSHREA-UHFFFAOYSA-N 440.521 2.175 30 10 IEEE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 556968442 BVSNKEPTYMHKPZ-UHFFFAOYSA-N 430.505 2.208 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1 557897537 VQYMGJGYFUPYFL-NRFANRHFSA-N 448.011 2.324 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 573523372 FRLLGXJMSWNTAQ-UHFFFAOYSA-N 441.553 2.077 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCN(C)[C@H]3c3ccc(Cl)cc3)CC2)o1 582329953 SSSMWPVUCADKHN-NQIIRXRSSA-N 442.951 2.192 30 10 IEEE CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H](c1ccc(C)cc1)n1cncn1 586859999 OOUFVSAIKIOCBQ-SFTDATJTSA-N 434.475 2.398 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 588152376 QOEHYTVWMBZQMD-CRAIPNDOSA-N 438.549 2.142 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 609189182 YGVSZOXYUUOWRJ-MAUKXSAKSA-N 431.489 2.434 30 10 IEEE COc1cc(F)ccc1N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 734475087 IYYWDSONIPDHOO-UHFFFAOYSA-N 437.475 2.250 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CCCC2)C1=O 735225886 OHKSOOKUDXPQEG-GOSISDBHSA-N 432.546 2.357 30 10 IEEE CCOc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(CC)c3)c2=O)c1 743731384 QMBOSFZWWQZSEA-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 744780632 JPGAXSFUCGWJMA-HZPDHXFCSA-N 426.560 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@@H](C#N)C1 749520965 KZGFCRWUOQDROM-ROUUACIJSA-N 428.489 2.389 30 10 IEEE COc1ccc(-n2cc(CN3CC(=O)C(=C4N(C)c5ccccc5N4C)C3=N)nn2)cc1 755033925 LWNXACZDMSAIHW-UHFFFAOYSA-N 429.484 2.436 30 10 IEEE C[C@H](CC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1)/N=C1/NS(=O)(=O)c2ccccc21 755634831 UNZIAIHCOTXMOT-KGLIPLIRSA-N 448.495 2.177 30 10 IEEE CC(Cn1cc(Br)ccc1=O)=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 761804293 PXCXSUWFSRBMDY-UHFFFAOYSA-N 443.279 2.015 30 10 IEEE CC(C)(C)OC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1 764976764 JPQLFLSDOOQAAD-SFHVURJKSA-N 437.521 2.071 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)CNC(=O)c2cccnc2)n(-c2cccc(F)c2)c1C 767610130 IXSWJDLEGCNRKK-UHFFFAOYSA-N 449.442 2.412 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)c1OC 780023247 JOLLXDNKEJYHKE-FDDCHVKYSA-N 439.468 2.470 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1C#N 805275563 FDCPUFSARKBZQS-INIZCTEOSA-N 444.438 2.180 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1 806750114 IENCKQKBRKQGTJ-KLAILNCOSA-N 430.505 2.446 30 10 IEEE C#C[C@@H](NC(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1)[C@@H]1CCCO1 812902983 NQUOCHKPOOWHED-TUNPWDSISA-N 434.581 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 813650060 YJEJFHCRNPMYBV-ZSVKVYQISA-N 432.521 2.153 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 824549355 BVFJMIFOFUUJIB-BQIYRTECSA-N 435.546 2.136 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 915098904 GFXAEQHREKBCAG-GOSISDBHSA-N 445.545 2.290 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1137551306 DUMJFAPGTSHOND-SIKLNZKXSA-N 441.425 2.392 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)s1 1141361806 AQHHOPFXPVLHME-IAGOWNOFSA-N 431.583 2.350 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)C2)nc1 1141571134 YEEUKFDZLHFZCL-HNNXBMFYSA-N 440.257 2.469 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(I)nn2C)C1 1143720152 NZCQUAXUNAPWDA-CQSZACIVSA-N 435.269 2.247 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1144280860 HXXHXSAQGLJDEQ-UHFFFAOYSA-N 442.523 2.335 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]2C1 1159291243 LWBQSZUNQOBVSF-GUDVDZBRSA-N 446.617 2.474 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc(Br)c1 1161179950 ADUQSHDEPZPSTM-ZDUSSCGKSA-N 436.331 2.346 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccccc2)[C@H](CO)C2CCC2)cc1 1163144964 HSLFFAKBNISWSY-OAQYLSRUSA-N 427.526 2.026 30 10 IEEE CC(C)(CO)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1 1163443517 ZCPVGXNBVRQJRA-ICSRJNTNSA-N 435.484 2.034 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1166675391 VKZZAKKBGMNGND-TWMRLEJJSA-N 444.491 2.416 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1cc[nH]n1 1168195636 PCXCPKFPNOWFPE-JOCHJYFZSA-N 444.488 2.067 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)CCc3ccccc32)cc1 1214686678 DWTSLKVVBSRMSS-JOCHJYFZSA-N 429.542 2.491 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1286397053 RIGUBKKHSGXVAU-CVEARBPZSA-N 430.521 2.267 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1286535850 TWNMEDKXBMDOAD-KBPBESRZSA-N 445.325 2.443 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286536483 MFNBBYFSNGNNFA-IBGZPJMESA-N 435.370 2.493 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286603226 PFGCZWCYIVGCGA-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286611070 DSQZRRWXNMNRGR-LJQANCHMSA-N 434.585 2.349 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286611656 MSCKMKNZDDJGJL-GOSISDBHSA-N 430.553 2.295 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286703331 JTBCDIORTYWDBI-UHFFFAOYSA-N 436.560 2.390 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1noc(CC)n1 1286742588 QRLRKYSIZNOVDI-SFHVURJKSA-N 446.515 2.482 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(CCO)Cc1ccc(Br)s1 1286785825 JUVPPMXOMWMQAY-UHFFFAOYSA-N 440.367 2.281 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1300336338 DCESWLRNJBQFQA-LJQANCHMSA-N 426.565 2.060 30 10 IEEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN(CC)S(C)(=O)=O 1300430797 AKPBZXCVJOCAKI-UHFFFAOYSA-N 429.590 2.489 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCCC1 1300456317 YXXRBMHEENCQGD-SFHVURJKSA-N 433.560 2.383 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300496043 NFHQHBLFCNGSTF-DLBZAZTESA-N 438.619 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1300564086 SOFHYHFLCUFEDW-NRFANRHFSA-N 429.572 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)OC(C)(C)C 1300596930 ZXDROBXUDMUEQM-OALUTQOASA-N 445.564 2.380 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC(C)C)cc2)CC1 1300681498 RNCLYLJUXXUQGP-UHFFFAOYSA-N 438.576 2.255 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC=C)CC1 1300699997 KHSTYNSBNXGTNK-HXUWFJFHSA-N 425.558 2.465 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@H]2C1 1300974860 OASVUCNZWSCRIL-HNNXBMFYSA-N 449.353 2.439 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301186494 ANMRWSYGKPUMHN-IAGOWNOFSA-N 428.541 2.060 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNS(C)(=O)=O 1301960956 VBCVEYWLYBPJFU-LBPRGKRZSA-N 428.921 2.273 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1302989108 HAHYJQXDTSTSME-CVEARBPZSA-N 443.458 2.286 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C1 1303949086 ADFPEKHUDUMFTC-LAUBAEHRSA-N 426.546 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC2(CCNC(=O)O2)C1 1304241060 NKPGAUJNPUWHBL-QGZVFWFLSA-N 426.473 2.103 30 10 IEEE C#CCN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)CC1 1308073871 NLFLUQLEZALIFW-UHFFFAOYSA-N 448.995 2.444 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)CC1 1313954007 MKKKXAXLOFQPNT-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE COc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1315565389 BYTGOQWYBJBPFV-UHQTYDMFSA-N 440.479 2.274 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2Cc3ccccc3OC2=O)cc1 1354817050 HVQAELXVNSOTDK-NMWGTECJSA-N 442.497 2.453 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1358904171 XQJCHKPAGDKMBP-JOCHJYFZSA-N 442.951 2.367 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1358926228 HWTHWIUWHMUOIF-QFIPXVFZSA-N 446.555 2.315 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCO[C@@H]1C 1358972691 OZORJGYREJANOR-FOIQADDNSA-N 429.318 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCn2cc(C)nc21 1358982134 LOFDNWADYBVGKH-SFHVURJKSA-N 447.568 2.425 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1359008817 ATMXLJMAAHGSGQ-DLBZAZTESA-N 432.546 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)C1CC1 1359019273 PDOZCBOCEVZVDV-UHFFFAOYSA-N 446.349 2.320 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1359052057 SSYNGHYLQUYOBC-UHFFFAOYSA-N 433.965 2.436 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1359097023 KFFXQICJEHLWPV-NRSPTQNISA-N 443.596 2.207 30 10 IEEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359136162 BEHRYFRMBKIZRW-SFHVURJKSA-N 449.939 2.054 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1359292298 MMTAJINHBJSFQL-UHFFFAOYSA-N 428.512 2.195 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(C)cccc2C1 1359306495 IHLNRJRSLUEUQF-RXVVDRJESA-N 425.533 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1359335310 HRVCHPOFPDMPSP-LAUBAEHRSA-N 440.610 2.403 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359344892 MBGPHFGEQRNDFQ-UHFFFAOYSA-N 443.602 2.209 30 10 IEEE COc1cc(N2C[C@@H](C(=O)N(C)c3snc(C)c3C#N)CC2=O)cc(OC)c1OC 1436642639 FKRSSRHLHSVYCF-LBPRGKRZSA-N 430.486 2.365 30 10 IEEE CC(C)(CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@]1(O)CCOC1 1452143623 AJKMUESDQACZAN-QFIPXVFZSA-N 428.489 2.316 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)s1 1465224079 JTEFKLPAZMPDEC-AWEZNQCLSA-N 445.607 2.374 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1 1465785320 NDFJFHRHBCVGOF-CQSZACIVSA-N 449.479 2.316 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]c(C)c1I 1469551777 UUWGJMHSKGUQDT-UHFFFAOYSA-N 425.230 2.483 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccccc3)C1)C2 1472224558 FUYVHOMPLDHHOS-AWEZNQCLSA-N 430.555 2.188 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1478416806 AXKAISJVGHEWOR-MRXNPFEDSA-N 425.411 2.040 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1503942391 DPZSDMAWQFMJGL-MRXNPFEDSA-N 438.532 2.259 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507632736 AHGZYWFTVHYUSK-QGZVFWFLSA-N 435.619 2.365 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 1507718484 DRNBWILRAWQWEY-FDDCHVKYSA-N 443.523 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCCC2)CC1 1507735420 VYLJNDBWAJFION-UHFFFAOYSA-N 437.544 2.225 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(N)=O)C1 1507787442 DQAYGLICQRTHAE-AWEZNQCLSA-N 444.337 2.127 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507838510 SIAPWWFNAMKMTE-SFHVURJKSA-N 442.520 2.206 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2COCCO2)C1 1508114274 CPHYOAJSSIPGFT-MSOLQXFVSA-N 430.505 2.159 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](CCOC)C1 1508135669 KWFPCIFAKKTFKU-MRXNPFEDSA-N 448.545 2.137 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1)N1CCOCC1 1510074870 BQNVIBQAUHPZAA-GHTZIAJQSA-N 440.548 2.065 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1518509435 HQHCOUPPBFRTPI-QGZVFWFLSA-N 445.545 2.040 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)C[C@@H](C)O1 1518912405 ASOPYCDZJWFSCR-DYESRHJHSA-N 435.532 2.423 30 10 IEEE COCCOCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1519401514 WRGLQKFXKGAGTF-UHFFFAOYSA-N 437.504 2.387 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOc4c3ccc(F)c4F)C2=O)cc1 1529218115 JCFBQACBQLROOJ-HNNXBMFYSA-N 426.379 2.467 30 10 IEEE C=C[C@H](COC)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1529849660 KARWBDDEURQFOT-USXIJHARSA-N 430.364 2.360 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1534035488 POIZXTSAUDARSM-WKILWMFISA-N 437.518 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)noc1C 1539246481 RMGKSXUEYSYZGL-UHFFFAOYSA-N 437.525 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(C)(C)O 1539299033 DHLLPCQEYFJNMO-UHFFFAOYSA-N 442.589 2.171 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1539428926 YCJALMNCBOPIBK-HXUWFJFHSA-N 440.592 2.306 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1539656142 UKTAURVIRDLVRG-IIBYNOLFSA-N 434.562 2.291 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccnc2C)CC1 1540865570 LBMLNSZLSIZBHA-UHFFFAOYSA-N 446.559 2.235 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540918207 MKYYAHLWYPIZBD-NRFANRHFSA-N 441.649 2.399 30 10 IEEE CC(C)Cc1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541446844 XCUPRLDXIUNSBG-LURZSEBBSA-N 442.564 2.398 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1542828263 KQJGRIRYTXJULY-FPOVZHCZSA-N 433.430 2.408 30 10 IEEE Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCN(C(=O)CC#N)CC1 1545534624 NPKNGOLMEOKQJI-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CCO1 1546099262 AKHUQHJPVOCOML-NLSFWIRASA-N 441.532 2.274 30 10 IEEE CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552400877 AFZFVDIKTDUNDZ-MOPGFXCFSA-N 430.578 2.159 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1554321285 BWOZPGJPJBODEV-WOJBJXKFSA-N 427.505 2.149 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@@H]1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1558856511 COALJBONPNUFRD-ISLCYMGKSA-N 446.548 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21 1560197569 SWHSSUWYZVCOPN-SJORKVTESA-N 425.938 2.430 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(CC(=O)NCCOC)c1 1566159023 QAIYKCCPHNGZEG-UHFFFAOYSA-N 426.395 2.482 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)CC1 1568995381 QQAMTYSKORDARO-QGZVFWFLSA-N 429.473 2.364 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NCc2ccc(OCC#N)cc2)nn1 1584654781 OTXYMOSMHVGKKM-UHFFFAOYSA-N 428.493 2.415 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1588041161 VNMLRVMDNNCVEU-SFHVURJKSA-N 425.514 2.111 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588041268 WACIBBOEAILRAO-SIKLNZKXSA-N 439.541 2.013 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1588211392 ZORRYPLVCPYNDG-UHFFFAOYSA-N 438.495 2.441 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1snnc1C 1588646253 IIBDIAHZBQYUQP-KRWDZBQOSA-N 426.502 2.085 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOC2CCCCCC2)CC1 1588732994 JLNMLPDRKYHKBQ-UHFFFAOYSA-N 428.581 2.009 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1589215887 HFVXJGLFAPGNMA-CWFSZBLJSA-N 434.587 2.142 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)COC1 1595239439 KFCQAYJXGPBMDN-LJQANCHMSA-N 430.574 2.452 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1595501430 TVJNAULVRWWXFM-QGZVFWFLSA-N 426.912 2.334 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1596695508 DAMGUXFVULFETR-UHFFFAOYSA-N 432.532 2.460 30 10 IEEE CC(C)(CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1597787224 DHGHAGQRKYMWLC-IBGZPJMESA-N 448.637 2.432 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H](C)CC#N 1610313022 GKZCZJXRASITQA-KRWDZBQOSA-N 443.577 2.347 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CC(C)(C)CO3)nnc12 1611640883 WSOAONXTSAMINV-CQSZACIVSA-N 427.530 2.254 30 10 IEEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1NC(=O)c1ccccc1F 1617486198 ASJJFJOLZSWJEY-AOMKIAJQSA-N 441.484 2.397 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1619914703 UUGXBIKDIBKTEG-NFBKMPQASA-N 441.532 2.254 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnc(-n4cccn4)c3)CC2)cc1 1623435098 BTSCQZFEDPUCHX-UHFFFAOYSA-N 436.497 2.178 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1625437209 KGPXXUCFFVOSTD-UHFFFAOYSA-N 439.520 2.315 30 10 IEEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1625826037 HUWOAHGPGJDCKC-UHFFFAOYSA-N 434.345 2.393 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)CC1 1628942898 HYUKRFKIXCCBOV-SFHVURJKSA-N 441.488 2.015 30 10 IEEE C=CCn1c(SCC(=O)N2CC(S(C)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1629952979 WGHLSQNUYSAPCA-UHFFFAOYSA-N 426.951 2.132 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1632232486 IAUCHYDASIKUCV-UHFFFAOYSA-N 437.424 2.015 30 10 IEEE CC(C)(c1nnc(C(=O)N[C@H](C#N)c2cccc(Br)c2)o1)S(C)(=O)=O 1636402661 WRDBFCYPCCDRNM-LLVKDONJSA-N 427.280 2.106 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 1636915517 GNHBATPJKVUKEZ-HXUWFJFHSA-N 428.510 2.086 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1639494295 ZUCUJDRSHKGMIS-MRXNPFEDSA-N 431.260 2.306 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 1643855237 QSEPBKUSLHZWSD-UHFFFAOYSA-N 433.461 2.464 30 10 IEEE C#CCC1(NC(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CCOCC1 1645734527 DKJJFPZIQOPIBH-UHFFFAOYSA-N 428.533 2.441 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)CCCS(=O)(=O)C(F)(F)F 1663294790 RDRTWWOVTBFSDA-UHFFFAOYSA-N 431.502 2.497 30 10 IEEE C#CC[C@H](NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1)C(=O)OC 1663796970 QSTWUXPLXFYJHQ-FDFHNCONSA-N 444.528 2.278 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1667300531 REGDNCZJNXXCOL-UHFFFAOYSA-N 448.589 2.479 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3CC3CCOCC3)C2=O)cc1 1681515146 GHWFTNSWXPZOLE-RTWAWAEBSA-N 426.517 2.281 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1689982456 NOKCHEWRVSLXFB-QGZVFWFLSA-N 433.484 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689983849 HZTUEGAIPVVYOC-SJORKVTESA-N 440.928 2.210 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689986077 IDMCZFRASOPUJP-CQSZACIVSA-N 427.452 2.309 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCO2)n1 1690109168 JAMBYDXBAGONJY-PMACEKPBSA-N 428.537 2.181 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690287583 IUDLQFOSFHNGRC-SFTDATJTSA-N 432.613 2.327 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC(C)(C)C)CC1 1690677938 FNJXUTIIWULERB-LPHOPBHVSA-N 435.569 2.088 30 10 IEEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)s1 1693446461 IDYJKTPAYJPOFV-CYBMUJFWSA-N 445.574 2.089 30 10 IEEE CCOCc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)cc1 1696235900 UBUNELUKMXPTNH-ACRUOGEOSA-N 441.532 2.316 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)COC)CC1 1705531430 JPEGVPXHJOUZME-UHFFFAOYSA-N 434.500 2.309 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1705558026 HYHMKDAOBHGKBJ-INIZCTEOSA-N 432.525 2.262 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1705560367 GEZIYYVDBYCSHR-KRWDZBQOSA-N 432.546 2.005 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1705586071 TZAPTGZYEDAJKY-UHFFFAOYSA-N 440.569 2.372 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1705640946 KZBFBALQJASCQX-UHFFFAOYSA-N 436.589 2.216 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1705675055 VWSVZYNDWBLNAN-NFBKMPQASA-N 441.601 2.282 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705733691 WUJXOSILFSQCAQ-UHFFFAOYSA-N 448.593 2.183 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705836770 FPCBHDOBSGAACT-UTKZUKDTSA-N 432.546 2.309 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1705884760 XOVPDSXELBNHAH-GOSISDBHSA-N 448.589 2.095 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705908301 MXLTXNCERQDKNY-WMZOPIPTSA-N 429.496 2.304 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(CCC)C2)C1 1705913890 ANZXNZOLWBLDAZ-OALUTQOASA-N 439.564 2.439 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1sccc1Br 1706625013 CILAPYDTEQHKHA-LLVKDONJSA-N 439.339 2.017 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1707504377 CPPXIJGYHLJLMC-JOCHJYFZSA-N 440.454 2.494 30 10 IEEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C[C@H](C)O1 1708241705 BMFXXWNHVOSGSM-OALUTQOASA-N 443.596 2.143 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1 1710839280 KXZLVJUEUKVWRS-UHFFFAOYSA-N 438.561 2.184 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCOCC 1722290964 HLVFMQXAXHJJSF-HKUYNNGSSA-N 425.533 2.459 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C1CC1 1722295941 ZAGLEHKSUYCOIX-HOTGVXAUSA-N 429.594 2.179 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC1CC1 1722379987 TXNJPVWVWRLEDV-UHFFFAOYSA-N 432.347 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1ccc(OC)cc1 1722382204 GCBAGXHJZQXBFT-QUCCMNQESA-N 440.569 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1722447540 JEFRFVRDNSYIME-WDSOQIARSA-N 426.565 2.021 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722534449 PLGVDBSPKIRUOV-ROUUACIJSA-N 430.578 2.474 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722559912 LWIZUOPVGAFGHE-RDJZCZTQSA-N 438.623 2.409 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2)CC1 1722581527 IUDAWJDMJJOWII-XMSQKQJNSA-N 430.574 2.490 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1723631158 UATVQIPIZLFZQI-QUCCMNQESA-N 432.532 2.337 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(C(N)=O)c2)CCOC1 1723665369 UVZOGCNBCGDTIV-KSFYIVLOSA-N 426.521 2.204 30 10 IEEE Cc1cccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1724241702 DUPGLLJPPNXTQI-WWMYMODYSA-N 447.536 2.398 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C)C(F)(F)F 1729851505 AIGLSJFGHBMHLU-CZUORRHYSA-N 436.438 2.451 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(C(N)=O)c1 1730835875 AEMPVRKETGEKDG-MRXNPFEDSA-N 426.521 2.279 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2snnc2C)c1 1740564291 IHNDBKHLXHMNFF-INIZCTEOSA-N 437.529 2.046 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cc(CO)nn1 1740602529 OKKXFNJIOJOPNF-UHFFFAOYSA-N 448.300 2.090 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCN1C1CC1 1740632929 YEBXTCGAOXFWNE-ZJSXRUAMSA-N 425.577 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1N1CCOCC1 1740651304 AIWQEDQREOVTJM-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1740656311 NSRWPGUWXNTQPX-IBGZPJMESA-N 426.542 2.087 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1740671759 NZHRNUHZLNHVAN-MGPUTAFESA-N 434.587 2.189 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ncnn1C(C)(C)C 1740681204 YURRCWXVRYMUPL-UHFFFAOYSA-N 438.492 2.334 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CC1(OCCOC)CCOCC1 1740732772 PNOVUSYAXFMULQ-HSZRJFAPSA-N 439.560 2.468 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccnn2)CC1 1740746765 PTWVCIIUNLQLDQ-UHFFFAOYSA-N 441.337 2.289 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1740991342 UNZCBRBSBXLKKB-MOPGFXCFSA-N 443.573 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 1740992821 UKPMQGCSNPBODS-UHFFFAOYSA-N 426.583 2.199 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCn3ccnc3C2)CCOC1 1741127316 ZMORKCOPHJOEQB-JBYIUTFZSA-N 427.553 2.374 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)C1 1741990613 GPUVFACXGLDVNP-HSZRJFAPSA-N 430.516 2.416 30 10 IEEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1747581389 HEWRRZJCMYNTDD-PXNSSMCTSA-N 434.610 2.185 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1748740566 QMYWGPSADVYUPW-SJORKVTESA-N 425.489 2.310 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1748803585 XWULLEIDSHCFFX-HOTGVXAUSA-N 430.553 2.334 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1748818046 UXBCIPKUCKCHEH-MSOLQXFVSA-N 440.635 2.188 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748821924 WMIHLAYVBDAFJZ-FQEVSTJZSA-N 427.574 2.275 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1748830435 WDMFBKGLDHCAMZ-DEOSSOPVSA-N 445.527 2.145 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748931445 ZBPPESDVTKOHCT-UHFFFAOYSA-N 438.557 2.022 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCOC[C@H]2CCCO2)CC1 1748979679 IWYDFLQVZCEYGG-JOCHJYFZSA-N 439.560 2.295 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749367410 USCUGBMTRGHGIB-IAGOWNOFSA-N 425.599 2.292 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749607278 XYEYPYNEQDEGSA-CVDCTZTESA-N 435.532 2.332 30 10 IEEE C=CCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749643534 UIKIJUJKWQVQHY-FPCVCCKLSA-N 441.598 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](COC)C1 1749656040 YPISEVOBNPBCBG-INIZCTEOSA-N 428.493 2.408 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccccc1CC 1749668910 ASJOIQSLXPFRLE-GOSISDBHSA-N 440.548 2.112 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNC(C)=O)C1 1749707330 VHUPGZXBOMHTPZ-OAQYLSRUSA-N 435.532 2.438 30 10 IEEE CC(C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1750657400 ZOUGTVVXNLUTNU-AQTLKONXSA-N 432.435 2.448 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1760096217 HQBLVGJDUXZBMN-WMLDXEAASA-N 442.951 2.234 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760114625 PZZRHSQPSMNQIC-KGLIPLIRSA-N 430.509 2.377 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCS(=O)(=O)CC=C)c1 1760127373 XNKLOURSMPRWOT-UHFFFAOYSA-N 443.573 2.233 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1760188117 HXANJAPQQPWUKH-WBVHZDCISA-N 432.521 2.389 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OC)nc2)CC1 1760261362 PXPSBPAANFSQIL-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1760267236 WQFBXUAHLWGYMI-UHFFFAOYSA-N 432.528 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](F)COC)CC1 1760267680 WIJQNILNGXKVEI-FQEVSTJZSA-N 427.524 2.458 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760307369 QCYSASJISWHBMP-DYVFJYSZSA-N 426.315 2.112 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)CC1 1760532631 AMCLSMQHPVTPSC-UHFFFAOYSA-N 439.541 2.496 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3sccc3C2)C1 1760535446 REZCQRYQTFZXND-SFHVURJKSA-N 444.605 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760547777 RGXIKENFVXHSLF-QGZVFWFLSA-N 435.594 2.131 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760945000 IKJBTRFBAWTKCA-QQMHEVNUSA-N 436.520 2.134 30 10 IEEE CC(C)Cc1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761013290 URDXZMOTHHBTCQ-ZREAOVPFSA-N 442.564 2.256 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1763580406 BYOUAKCNASVKOI-GOSISDBHSA-N 426.521 2.212 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1763773682 PNEGBDIGMITSSY-MHECFPHRSA-N 435.576 2.464 30 10 IEEE CCCN1CCC(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)CC1 1764429764 SEFLTWMOUJQCDT-FGZHOGPDSA-N 434.560 2.494 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1769044841 NSZKSXARCPARJZ-INIZCTEOSA-N 429.525 2.317 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccccc2)CCO1 1770747140 MPNXLDUXRBNXAN-SFHVURJKSA-N 433.472 2.123 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COC(C)(C)[C@@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772793358 NEDMOLUODOGJFD-XMHCIUCPSA-N 430.457 2.403 30 10 IEEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccc(C#N)cc2)CC1 1850986179 VNIVTAKEMCOJCF-QFIPXVFZSA-N 432.524 2.449 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1851521911 JZONDLCSUYLAKI-QGZVFWFLSA-N 427.461 2.327 30 10 IEEE Cc1c(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cncc1-n1cccc1 1851842744 AAGZXPALZGNYAC-UHFFFAOYSA-N 426.484 2.323 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cccc(OC(F)(F)F)c2)C1=O 1854176389 WUIGRZOGQZXPQW-HOTGVXAUSA-N 425.407 2.045 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@H](N3CC[C@H](Oc4cnccc4Cl)C3)C2=O)ccn1 1854336506 NSHLCEBZGVIAAZ-WMZOPIPTSA-N 425.876 2.286 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@H]2C)cc1Cl 1854702858 MFEFKXAQWAJQIW-CYBMUJFWSA-N 447.900 2.282 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572799 MYPCXJUKKWVEEK-HXPMCKFVSA-N 441.436 2.361 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(OC)c(O)c(OC)c1 1862599788 GSXBAHZUSIHEFG-GOSISDBHSA-N 429.425 2.340 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC 1870112067 OAMJPOORNUQROC-UHFFFAOYSA-N 433.384 2.247 30 10 IEEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCC(N(C)C)CC1 1870492201 LMOWUQGIVZRFCM-UHFFFAOYSA-N 430.593 2.388 30 10 IEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871260757 YPGMGJDOTDYSSR-UHFFFAOYSA-N 435.908 2.186 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc(OC)c1O 1874501031 MMFJXTIKYVWKFJ-UFWORHAWSA-N 434.503 2.208 30 10 IEEE C=C[C@H](O)C[S@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883403027 RACMYMDFKMIGRS-BHMYWUJVSA-N 429.494 2.274 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2011735815 VMNOWLZAOBETKT-YPENRWOSSA-N 441.525 2.330 30 10 IEEE C=CCC1(NC(=O)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2020789415 HXSIQLDDHXNYOU-QFIPXVFZSA-N 439.553 2.430 30 10 IEEE C#CCN(CC(=O)NC1(CC(=O)O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2059568669 QBSMNEQHUWDPRY-UHFFFAOYSA-N 443.544 2.482 30 10 IEEE C=CC1(NS(=O)(=O)c2ccc(Br)c(N)c2)CN(C(=O)OC(C)(C)C)C1 2075319556 VUGCCGNMKBBYBV-UHFFFAOYSA-N 432.340 2.485 30 10 IEEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NCc2occc2B2OC(C)(C)C(C)(C)O2)o1 2083271567 KLOJIZDVKGCGRY-UHFFFAOYSA-N 434.302 2.063 30 10 IEEE CC1(C)OB(c2ccoc2CNC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2101329476 RUDIASZRYFUNLN-UHFFFAOYSA-N 439.365 2.189 30 10 IEEE C=CCN(Cc1ccccc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2241757264 NVIKKUPFOZZRLV-IBGZPJMESA-N 432.498 2.384 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387197 PKKJJXZOQXWFJO-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405586 VHWWCSFWJHQISC-LBPRGKRZSA-N 441.359 2.047 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2255617097 UAIAISDUUHYMSJ-OCJVHDGVSA-N 438.330 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C2)C1 2255640464 TUCYEXNAVWLWAZ-UHFFFAOYSA-N 449.382 2.381 30 10 IEEE CC[C@@H](CN(CC)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255665351 FFQVNFMPAIXNNH-AWEZNQCLSA-N 436.362 2.474 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 2255671818 XDRWXDWDGPPNIM-UHFFFAOYSA-N 433.358 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(F)(F)F 2255860434 CMAMXTRJPIUHTB-ZDUSSCGKSA-N 447.263 2.499 30 10 IEEE C[C@@H](C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2256673962 WZWGBDSRDATEGV-WMLDXEAASA-N 435.374 2.420 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)co2)OC1(C)C 2256922973 GJDHDXPQJMFRJQ-QGZVFWFLSA-N 429.278 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CC1 2260819859 BVUZEBPTAYMTQK-DHZHZOJOSA-N 438.330 2.392 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267010911 XMMYQLJBBCQRKS-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267515264 LXFIPNPUFQSMPA-KNCOVGOOSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267564789 VSYYSJBSNJYBSS-CVEARBPZSA-N 449.357 2.116 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267818390 FCDKAZAQHSQAGB-RTBURBONSA-N 447.385 2.496 30 10 IEEE CN1CCN(C(=O)c2cc([C@@H]3CN(c4ccnc(C#N)c4)CCO3)nc3ccccc23)CC1 2296584761 PDLQHWPHEFMVQS-DEOSSOPVSA-N 442.523 2.467 30 10 IEEE C#C[C@@H](C)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 2300087409 JANAIHSFTUECIL-HXUWFJFHSA-N 428.577 2.179 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1O 2329012435 XKTSSNIEOZXWFK-INIZCTEOSA-N 444.561 2.209 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1C 2337190602 PRJFKUJBEBNFBO-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2352406173 QRMDIRMCNUMWSA-OAHLLOKOSA-N 446.357 2.294 30 10 IEEE Cc1ccc(CNC(=O)Cc2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 9860505 JDOGCIILKKZCCF-MOPGFXCFSA-N 429.567 2.343 30 10 IEEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n[nH]2)cn1 59310898 VJHVGWYLGDBDIA-KPSZGOFPSA-N 427.519 2.137 30 10 IEEE CCc1nnc(CN2CCN(C(=O)CSc3n[nH]c(N/N=C(\C)CC(C)C)n3)CC2)o1 59892326 JZUBSHIOMXVXOP-KGENOOAVSA-N 449.585 2.021 30 10 IEEE CCn1cc(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)c(=O)c2ccc(C)nc21 96351131 GIFNODBDNCUFQZ-UHFFFAOYSA-N 429.480 2.036 30 10 IEEE C[C@H](C(=O)N(C)CCC#N)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 96966371 DZCKTZFNBDDTMW-OAHLLOKOSA-N 425.455 2.022 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2sccc2C)[C@@H](C#N)C(=O)N3)CC1 101442563 VLZHNXGRACATEU-KGLIPLIRSA-N 441.513 2.143 30 10 IEEE C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2[C@@H](O)Oc4cc(OC)c(OC)cc4[C@@]2(O)C3=O)O1 229764612 XIEXZMWPZITEKI-RNAPXVLBSA-N 426.421 2.126 30 10 IEEE biogenic NC(CCCCn1cnc(I)c1I)=NO 308819121 XFRLVDQINGVTQH-UHFFFAOYSA-N 434.019 2.009 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](COC)c2ccc(F)cc2)cc1 436458713 ZOSXIQUTKNOKPJ-LJQANCHMSA-N 449.504 2.075 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473429632 CSIYZUWEWVONJN-MRXNPFEDSA-N 438.509 2.167 30 10 IEEE Cc1nc(CC2CC2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 475483476 CSVQTVPQESUXPL-UHFFFAOYSA-N 430.555 2.422 30 10 IEEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)cc2)c1 476791504 IPMMHZFGYBTFHP-OAQYLSRUSA-N 448.479 2.185 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 481491128 LBIDSEXDRWERCF-UHFFFAOYSA-N 438.488 2.028 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3nnc(CCc4ccccc4)o3)C2=O)cc1 503126760 PRIHHPZJQASTTH-FQEVSTJZSA-N 444.495 2.327 30 10 IEEE COc1cc(F)c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC 504182367 AYJWBFJQCBITTB-UHFFFAOYSA-N 448.476 2.253 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 510444994 PSTSJIJBTVJIEX-AWEZNQCLSA-N 447.479 2.072 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 514753039 BVTMHXBHTKCXFL-HTAPYJJXSA-N 448.589 2.224 30 10 IEEE CS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 522866416 CHCLSPRBUIQLPK-UHFFFAOYSA-N 426.542 2.130 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)Cc3cccc(C#N)c3)cc2)CC1 530913637 RDNJHPGEZZVJPT-UHFFFAOYSA-N 434.540 2.003 30 10 IEEE CN(Cc1noc(CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1)C(=O)c1ccccc1 544977025 HWLPEGMJGOINJV-SFHVURJKSA-N 444.451 2.271 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)cc1F 553464137 BXFSZGGYKRYFLD-UHFFFAOYSA-N 435.524 2.433 30 10 IEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 553552228 YBAPXIXLNRSRJV-ZIAGYGMSSA-N 431.901 2.409 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 555259635 FJAZNDTUOPVLPK-NRFANRHFSA-N 443.548 2.152 30 10 IEEE COc1cc(CNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ccc1C#N 569664970 XSMCNKRQEVFPOO-UHFFFAOYSA-N 446.504 2.358 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccccc3I)CC2)n1 583114908 DFZSGSWEYJSLBU-UHFFFAOYSA-N 447.280 2.319 30 10 IEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 583825638 XJZRAUWZWCJMPQ-UHFFFAOYSA-N 449.540 2.299 30 10 IEEE COc1ncccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 726105954 FZZAVFKXAGLLLL-UEAMBXKFSA-N 439.541 2.197 30 10 IEEE C#CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 729332157 URZVJWVNSGIOBW-GFCCVEGCSA-N 436.433 2.355 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C 733198380 WYBBJYFMIYMRQF-RHSMWYFYSA-N 437.587 2.418 30 10 IEEE Cc1ncc(C=NNc2ccc(S(N)(=O)=O)cn2)n1-c1ccc(Br)cc1 734978908 XQRJOZRGGMNBQW-UHFFFAOYSA-N 435.307 2.432 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@@H]2CCOC2)C1 752848070 HHFJMCQNGIYVRE-LAUBAEHRSA-N 428.468 2.183 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)C1 757580577 VBDBDUGARANBPY-GVDBMIGSSA-N 430.530 2.077 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cn2)CC1 761660117 ZDCSIYPXZKEHJN-QFIPXVFZSA-N 434.544 2.378 30 10 IEEE COc1ccc(Cn2nc(C)c(C=NNC(=S)NCCCN3CCOCC3)c2C)cc1 767368772 ZQBLSEXMBRNDCF-UHFFFAOYSA-N 444.605 2.077 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 772728464 GZQFOUVHXBQWIW-KYAFNBKBSA-N 434.500 2.185 30 10 IEEE COC[C@@H](CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C)OC 781101737 CPHDNJNDJKETKR-NVXWUHKLSA-N 443.529 2.407 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)NCc3cccc(C#N)c3)c2C1 782418101 NPJBUZZRJINHCK-UHFFFAOYSA-N 439.472 2.048 30 10 IEEE COC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2cc(-n3ccnc3)cs2)NC(=S)N1 783939479 LWBDWKICUZBIKY-OAHLLOKOSA-N 425.495 2.158 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)n1 788810936 LADRHHBLEFTYGI-QGZVFWFLSA-N 440.491 2.384 30 10 IEEE N#Cc1ccc(COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1F 791344078 AFHNXERVHZLVSQ-MRXNPFEDSA-N 444.440 2.378 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 796250666 IIAJLNUCXWKMNO-UHFFFAOYSA-N 432.528 2.386 30 10 IEEE COc1ccccc1-n1cc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cn1 797082153 XTDQHBWJHAELSC-UHFFFAOYSA-N 440.456 2.428 30 10 IEEE COc1ccc(Cl)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807939189 LPFOOGDLUHIIMK-MRXNPFEDSA-N 448.936 2.278 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812269839 VHXIUUSPBHBSTE-QZTJIDSGSA-N 432.521 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2C[C@H]2CCCCO2)CC1 812443586 VKNZTIGKZPDTLB-IRLDBZIGSA-N 449.555 2.489 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 916178973 ZUDFLCVLNMUTIL-UHFFFAOYSA-N 447.463 2.335 30 10 IEEE N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 920108876 BVGNNRIMPVXGRL-YVEFUNNKSA-N 441.390 2.436 30 10 IEEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1nc2ccccc2s1 1084251827 SVJBFFXXUNXHAL-UHFFFAOYSA-N 425.503 2.173 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N[C@H](C#N)c2cccc(OC)c2OC)cs1)C(N)=O 1127853263 FVNPTHYRDGCFOY-HIFRSBDPSA-N 434.543 2.440 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(Cl)c(C#N)c2)C1 1133631463 WXQKKQAZGBFMQH-OAHLLOKOSA-N 441.937 2.366 30 10 IEEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1137537001 FCECAUKHBKUYBT-LSDHHAIUSA-N 434.566 2.032 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2cc(C)cc(C)c2)s1 1138681424 QOIGGFNYWTWNLR-LJQANCHMSA-N 436.555 2.402 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2CCC(S(C)(=O)=O)CC2)n1 1143258918 BNPQRNMZYWMGNE-UHFFFAOYSA-N 441.604 2.342 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)s1 1145006355 YFCKMMGIJAFTPD-KGLIPLIRSA-N 428.576 2.382 30 10 IEEE C#CCN1CCC(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 1155872820 FIJIKWDCSVZMAB-UHFFFAOYSA-N 447.582 2.166 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)c1 1162310665 AGQKGWDQFFDCEQ-QGZVFWFLSA-N 441.550 2.362 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1170891929 MEYIKJZTEQRYCX-KRWDZBQOSA-N 438.488 2.456 30 10 IEEE COC(=O)[C@@H](CC1OCCO1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1175169798 PDBQHBZMUFIGDT-MRXNPFEDSA-N 435.908 2.239 30 10 IEEE C#CCC1(O)CCN(C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1175854133 NQNOXDHLIHZWNJ-UHFFFAOYSA-N 444.578 2.486 30 10 IEEE COCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(=O)OC(C)(C)C 1190923440 DOBRXFYSYKQZNV-UHFFFAOYSA-N 428.451 2.463 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1196072717 ADLWTBOBPJLLHI-CKEIUWERSA-N 447.479 2.238 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)C1=O 1270492996 CQFIMWBPWVWQLQ-OALUTQOASA-N 431.533 2.376 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286495478 XAQSDRYSYSNQCZ-KRWDZBQOSA-N 441.557 2.157 30 10 IEEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCNC(=O)CC1 1286500617 ZRTXHKQXTNHKBQ-UHFFFAOYSA-N 443.573 2.435 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286507640 CJUBTVGVJHFUCY-GOSISDBHSA-N 427.574 2.323 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286681588 YOWUWGGTNUBMER-CQSZACIVSA-N 430.475 2.277 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286740061 CFPVTKYMQDYAPY-SFHVURJKSA-N 433.578 2.323 30 10 IEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286771041 UDBSGFWTRUGQQI-KRWDZBQOSA-N 444.511 2.317 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286782547 YGRRAVZJJLYJCJ-JKSUJKDBSA-N 427.509 2.074 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1286788193 RTEBEVNHZXMDIQ-OERWEXPNSA-N 445.589 2.409 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1288521341 ZPDMSTVMLXGEDJ-ROUUACIJSA-N 425.537 2.190 30 10 IEEE COc1ccccc1CN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1292770872 VBJWFRYBZPUECK-UHFFFAOYSA-N 431.489 2.090 30 10 IEEE N#CCC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1 1294721273 GKWKZHRMJQTANY-DTQAZKPQSA-N 446.529 2.001 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1295083382 FKQBSTVQXFRGNK-SFHVURJKSA-N 426.521 2.068 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCCCO 1298862312 QEWDYOSBOHEXDO-UHFFFAOYSA-N 434.548 2.430 30 10 IEEE CC(C)(CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1(O)CCOCC1 1299607932 JUABFJSSNKXZER-UHFFFAOYSA-N 436.350 2.441 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)C1 1300020395 GZVBTZDIEONXKM-VQTJNVASSA-N 440.544 2.176 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1300373901 CWPNSJXRUGIPTM-QFIPXVFZSA-N 438.532 2.366 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300413672 ZZZVHDNSJBVVNU-FQEVSTJZSA-N 425.508 2.249 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1CC 1300558752 BDWJJUKUJOANHV-DEOSSOPVSA-N 438.576 2.300 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(F)cc1 1300671046 APIJHRGAPFOISF-FUHWJXTLSA-N 434.537 2.209 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300883929 GCRJQGXJOKAACB-PZJWPPBQSA-N 430.597 2.127 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(CCN(C)C)CC2)CC1 1301097107 OVFRXMNXRGGWNP-VXKWHMMOSA-N 446.640 2.432 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1301391397 UGCDCAGGDSEWTB-KRWDZBQOSA-N 428.537 2.215 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)C1 1301538710 KGKTYEVKQXCDEW-OLZOCXBDSA-N 439.504 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301586597 OCKFZOIKPGYNNF-FGTMMUONSA-N 436.603 2.392 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1303395075 IYCUZUMEAHHZMB-LDLYASANSA-N 432.542 2.326 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1303935703 XNNQRCUDCRKIJU-BFUOFWGJSA-N 448.453 2.411 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1309712737 HRDCAGHEFFMIMK-UHFFFAOYSA-N 429.336 2.019 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)C1 1311835639 UWMIXDBNVHYRIK-LJQANCHMSA-N 426.542 2.384 30 10 IEEE N#Cc1cn(CC(=O)NCc2cnn(-c3ccccc3)c2)c2ccc([N+](=O)[O-])cc2c1=O 1322452556 MOBQVAQHPFZWGR-UHFFFAOYSA-N 428.408 2.283 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)nc2ccccc12 1359018033 AQSJRTAGTZFOBA-UHFFFAOYSA-N 448.527 2.205 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)n1 1359028087 GVHKVRKIPFJSTL-REWPJTCUSA-N 442.564 2.051 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1359160880 HZBPWXIHRCXGBL-QHCPKHFHSA-N 443.548 2.194 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1359208923 XAQATZATMGCPBI-OAHLLOKOSA-N 439.611 2.028 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1359232451 VGUZLKUXRNXMTL-QHCPKHFHSA-N 427.549 2.437 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1359271400 TVLNASOJMAPNLF-OALUTQOASA-N 440.548 2.383 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCOCC1 1359277878 YRTMPSKKLSKFSY-LJQANCHMSA-N 442.564 2.168 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)C[C@H]1CCCO1 1359291159 GZZTWDBLSQRWLI-LJQANCHMSA-N 440.548 2.455 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)C1 1359322054 PBAZKEOFDQTBBU-PMACEKPBSA-N 446.573 2.156 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cnnn2)C1 1359326027 RINAXGXZESKJAC-RCCFBDPRSA-N 430.557 2.055 30 10 IEEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCNS(C)(=O)=O)c2ccccc2n1 1361044809 FRYWTJSBUZBELQ-OAHLLOKOSA-N 427.534 2.089 30 10 IEEE C=CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1OC 1455641468 RGZHXAZWYACJRL-NRFANRHFSA-N 437.540 2.375 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](CO)c2ccc(F)cc2F)CC1 1460499928 DPXIYCHEFQFLSX-SFTDATJTSA-N 432.446 2.136 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cn1 1471225862 CZCJHEAOJHDVIZ-UHFFFAOYSA-N 440.479 2.474 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1492727789 HYNHHVYXHNWSFW-JOCHJYFZSA-N 428.585 2.124 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1496156194 WYHUKCVQIHTSAW-SFHVURJKSA-N 446.563 2.059 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCS1 1499680321 DKKPPJWIJHJNOA-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1503949089 DSOSVZQMIQHEKQ-YTQUADARSA-N 431.562 2.176 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)CC1 1504530207 GXZVPMWLZDUFRD-UHFFFAOYSA-N 438.532 2.071 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1504662301 SGHXNCBSEDGPBZ-UHFFFAOYSA-N 438.488 2.120 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507589515 LSHNPCIGGPJELZ-LJQANCHMSA-N 440.573 2.334 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507634459 KMMPQNIJLOHKMK-IBGZPJMESA-N 434.606 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCN(CC)CC1 1507671911 SGGMFUGAZLSFLX-QFIPXVFZSA-N 433.604 2.000 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1507678564 KBEMYHCBWAVYRA-JOCHJYFZSA-N 433.553 2.257 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1([S@@](C)=O)CC1 1507709119 ROKBJBGALUODIH-SSEXGKCCSA-N 425.558 2.434 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507751130 KCEDIBIHQFZBQQ-GCJKJVERSA-N 441.557 2.119 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507828752 GHKCMAJMOLABKR-RBUKOAKNSA-N 438.580 2.128 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 1508093719 VPRAMCKBLPNGNT-CVDCTZTESA-N 441.532 2.488 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCN(CC)CC2)C1 1508112697 QYIBNAUYSNLKBT-HXUWFJFHSA-N 425.581 2.149 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCC(=O)NC1CC1 1509713061 XLONMGCZWDPRDR-QUCCMNQESA-N 449.559 2.219 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514611804 VJPVQLJGEQEERZ-NRTINQSCSA-N 443.596 2.270 30 10 IEEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCS(C)(=O)=O 1516555766 MGGUYVKRSGNTOQ-LJQANCHMSA-N 431.562 2.190 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccsc1 1516978524 ARPJRFHOTJLEPB-IEBWSBKVSA-N 435.557 2.493 30 10 IEEE COc1ccc(CCc2nnc(N3C[C@H](OC)[C@H](OC)C3)n2Cc2ccc(C#N)o2)cc1 1518214394 RUEOWAJHVYNQSO-OYRHEFFESA-N 437.500 2.435 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 1519324291 GJZFFUNZHQZMNR-JUXOCIIHSA-N 429.521 2.029 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(C#N)c(F)c3)cc2[N+](=O)[O-])CC1 1536228233 MCZFEYDTHCPVBF-UHFFFAOYSA-N 425.420 2.204 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1539247237 WNVACBUEWNVMCI-UHFFFAOYSA-N 437.507 2.169 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccc(F)cc2)CC1 1539428606 UOAFVHOEORSSCL-UHFFFAOYSA-N 438.551 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539434857 VXBLYRDWEZEKFY-UYAOXDASSA-N 439.560 2.269 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1539668478 AANUFJOPSVOICF-GOSISDBHSA-N 437.541 2.201 30 10 IEEE CCO[C@@H]1COCC[C@@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540832516 PQQLKEOZVUOSCN-FOIQADDNSA-N 429.496 2.346 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540863758 DRWRFTGFFRYBCY-LEWJYISDSA-N 449.559 2.434 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1543381939 RUJBHBFWCGIXIF-LJQANCHMSA-N 438.933 2.203 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1544259706 JGYHWWLWOGZNNS-SFHVURJKSA-N 444.488 2.186 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1552733733 HBBFOLNMSIEJAA-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C[C@@H]1C 1554558586 KMQYWNRWHUJGLE-INIZCTEOSA-N 439.520 2.008 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)COCCO1 1555100028 LPULGQPBKKMTCB-JOCHJYFZSA-N 427.505 2.411 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1555892117 HNNUEYRIGLJZED-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)c2ncccc2C1 1558062694 OCNOQZUYZSXTFX-GOSISDBHSA-N 441.557 2.013 30 10 IEEE C#C[C@H](NC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1564604009 WPNKXLIYSLVOKD-JSXRDJHFSA-N 446.592 2.425 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3ccc(SC)c(C#N)c3)C2)cc1 1564719643 LJXPTQHFJHDIOW-UHFFFAOYSA-N 446.554 2.161 30 10 IEEE CCc1c(C(=O)N2CCN(C(=O)CC#N)CC2)cnn1-c1ccc(Br)cc1 1566318096 SMBRCSKVFAEHQF-UHFFFAOYSA-N 430.306 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1587554914 AGWXMBRRWJCIOI-IRXDYDNUSA-N 444.967 2.040 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1587557190 AQLAUCOKDNZCRK-OXJNMPFZSA-N 427.567 2.391 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)CC 1587603899 PSUMIKPKMXNVKP-CYBMUJFWSA-N 440.367 2.105 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC=C)c1 1587692936 MSISTTRUBGACMZ-SFHVURJKSA-N 441.557 2.203 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588049291 DTJCTLUCAIRWLA-QZTJIDSGSA-N 439.541 2.367 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(SC)CCOCC1 1588089435 LOYCHIIAFRJYJQ-QFIPXVFZSA-N 432.590 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(S(C)(=O)=O)CCC1 1588167044 VLPXUTZFRDNLQO-UHFFFAOYSA-N 430.505 2.036 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C1CCCC1 1588200517 SRQLWBQYTRLFCA-UHFFFAOYSA-N 443.559 2.258 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=C)Br)CC1 1588848722 MOQZQWNEGAOQST-UHFFFAOYSA-N 440.349 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1589506230 TXBGGKGHNZGTBW-KPFFTGBYSA-N 433.520 2.498 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1589568270 IPGNQVSTNUSWJF-RZUBCFFCSA-N 433.597 2.344 30 10 IEEE C=CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594775666 VYDIKHYHASOXQE-NHCUHLMSSA-N 438.594 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1595507191 ZCERXZNVUYBJAX-MRXNPFEDSA-N 435.536 2.095 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1595831052 JPJUJDNOKDRSJX-WIYYLYMNSA-N 440.610 2.403 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1596530331 ACMAVIBZKVISNQ-XMSQKQJNSA-N 440.573 2.037 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@@H]1NC(=O)NC1=O 1596788974 DVOBKJOGDQGDOR-AEFFLSMTSA-N 435.532 2.332 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCn1c(S)nnc1-c1ccc(OC)cc1 1611573539 LODOGYQBJHRWRN-UHFFFAOYSA-N 430.530 2.436 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1612990582 DVHFQTQXEZFHEI-MSOLQXFVSA-N 428.512 2.314 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)CC2=O)cc1 1617003324 FVQJTZODAHHYMG-QGZVFWFLSA-N 438.509 2.132 30 10 IEEE COCCN1C[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)CC#N)CC1=O 1619930753 DCRGIIZAYFOYNG-PNYFIKQUSA-N 446.596 2.430 30 10 IEEE COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NCC(=O)NCc1cccc(C#N)c1 1620557657 QZCYXCZBTBQGBD-SFHVURJKSA-N 435.402 2.447 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)c1ccccc1 1622280689 PQMNURKAILDFEB-CQSZACIVSA-N 430.454 2.312 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OCC 1622449968 GDSGTQNJRRPXTQ-IAGOWNOFSA-N 428.938 2.285 30 10 IEEE C=CCC[C@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1624303740 LXYMONJMRIURKZ-WNNBVUDTSA-N 430.567 2.149 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)c1cc(I)ccc1-n1cnnn1 1628999399 ZHVXIVKTNOQQDM-UHFFFAOYSA-N 439.333 2.268 30 10 IEEE Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1630544034 ONUANSPWBOXUJN-RYRKJORJSA-N 433.530 2.475 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H]1CCC[C@H]1C#N 1635419688 VYVRLDPHOBIYCO-WMZOPIPTSA-N 433.530 2.009 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1635421720 WJTRSALJLUXERV-QGZVFWFLSA-N 439.520 2.428 30 10 IEEE C[C@H](CC(=O)N1CCC(=O)C[C@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1637599352 IOCKMNRLRFPFRE-BEFAXECRSA-N 425.510 2.437 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)C2=O)cc1 1639973614 GQAALNJNYBBYFO-NQIIRXRSSA-N 434.471 2.358 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 1640916203 MWZRMAFKDTXDLV-HOTGVXAUSA-N 428.470 2.325 30 10 IEEE N#Cc1cccc(OCc2cccc(C(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)c2)c1 1641530666 DQFPGQOLYHJRPZ-UHFFFAOYSA-N 430.468 2.305 30 10 IEEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1)C(=O)OC 1642411752 WVJPWYWXLJFYDI-LJQANCHMSA-N 430.482 2.181 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)s1 1642717944 QAYXRUPCCGIZME-SFHVURJKSA-N 433.599 2.454 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)s1 1644987588 ANDQTGCXILRSHU-INIZCTEOSA-N 449.554 2.239 30 10 IEEE COC(=O)CCN1CCC[C@@H](Sc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)C1=O 1656079226 GVUJBNGFEJYSQM-MRXNPFEDSA-N 442.497 2.376 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OCC 1662024335 SGNSSMGJHAAISU-CQSZACIVSA-N 448.335 2.341 30 10 IEEE C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1681725282 YLJIPLZWRKMISP-IPMKNSEASA-N 447.580 2.221 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)cc1 1682358426 QVVWRAIOCHRFBW-UHFFFAOYSA-N 435.933 2.438 30 10 IEEE CN(C)CC#CCNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 1685831737 BGCYCVGSYIIOPE-INIZCTEOSA-N 425.314 2.430 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1689916435 JYOZSOUIRSPPPN-UHFFFAOYSA-N 427.505 2.053 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689980157 MWHVIAIGSILVDJ-JPYJTQIMSA-N 442.585 2.036 30 10 IEEE C=C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1690379451 QWRDEBRWQULLCD-UHFFFAOYSA-N 428.562 2.446 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1690442586 WNEAIFMTZCCWFK-JENIJYKNSA-N 433.578 2.473 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1690581578 USENTYJHTPZECK-VAMGGRTRSA-N 430.597 2.148 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690676812 FFVKZNQHCVUSRH-HSZRJFAPSA-N 443.523 2.323 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1690709406 GTIGVMWWGFGJKJ-IRXDYDNUSA-N 429.487 2.275 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccc(OC)nc1OC 1694743894 BIPZGTGPUVAGKF-UHFFFAOYSA-N 447.543 2.495 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC(=O)NCC(F)F)c1 1705503873 HLCRPGXKYRPIEC-AWEZNQCLSA-N 432.475 2.229 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCc2cnn(C)n2)c1 1705505332 MJGLPIKIQVGUGI-UHFFFAOYSA-N 443.515 2.091 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCn1cncn1 1705623834 GCQOBZZXYCOSCO-UHFFFAOYSA-N 448.300 2.224 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1705635863 OFNSPPYIEGTGFC-UHFFFAOYSA-N 440.592 2.491 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705688962 BCDWWXZRPFCNMZ-UONOGXRCSA-N 442.383 2.430 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1705932375 CZOZVCVDCFSGTA-QGZVFWFLSA-N 427.534 2.016 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC)CC1 1705941582 OHGQLTYDDKVVDF-UHFFFAOYSA-N 430.534 2.054 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1706060740 BZWGLRXPCPZSKU-SFTDATJTSA-N 438.532 2.148 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1706069710 GJRCZPVUWCIPKZ-KGLIPLIRSA-N 440.957 2.217 30 10 IEEE CCOc1ccc2c(c1)CN(c1nnc(CC)n1CCN/C(O)=C1\N=CC=CC1=O)CC2 1710548011 ZVTBVHQJAOLXOY-QURGRASLSA-N 436.516 2.328 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCCC2)CC1 1722429364 KPSJMNRNUYTVHU-QFIPXVFZSA-N 449.603 2.009 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722626630 FQAINRYSJVAMRU-IBGZPJMESA-N 444.580 2.051 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1722693699 XUKMIRNRRNBVFK-QAPCUYQASA-N 431.562 2.276 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722701236 KFYJMDYYGXDGFX-OAHLLOKOSA-N 428.503 2.386 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1728707558 PMFAEPSUSZQWKM-RCCFBDPRSA-N 434.541 2.062 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](F)COC 1740561267 ZRKQFWGUHOHYEH-WOJBJXKFSA-N 428.556 2.085 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCn2cc([C@H]3CCOC3)cn2)c1 1740564146 CBGCRMAMZZNALM-IBGZPJMESA-N 447.543 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2csc(COC)n2)CC1 1740706489 UXBYLJNJQFHHFC-UHFFFAOYSA-N 428.562 2.163 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC#C)CC#C 1740715982 IUHSNTOPYXLFGM-UHFFFAOYSA-N 430.537 2.114 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)cc2)CC1 1740818749 SSHGCDKFKZYQNL-OAHLLOKOSA-N 432.550 2.051 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1740900477 YMGZLQAAXUPQMQ-UHFFFAOYSA-N 438.580 2.333 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1740926851 LWILUIAFPCQVHP-PMACEKPBSA-N 430.597 2.149 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCSC2(CCOCC2)C1 1740986935 LFSSZFCTOWNAJZ-INIZCTEOSA-N 428.624 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCOC1 1740988581 JNFXKSGFFAZIPU-OAHLLOKOSA-N 440.953 2.433 30 10 IEEE CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1741696452 HACOAHAPLRQURC-UHFFFAOYSA-N 435.532 2.106 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1743383204 KDISFGXDHBMMEO-QMHKHESXSA-N 441.532 2.192 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1748731597 HLULSHWIJFXGDK-JOCHJYFZSA-N 440.935 2.134 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1748820420 BHGSWPOZZRONEB-NRFANRHFSA-N 442.585 2.442 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C 1748844580 VVDKIQKLSPXYPC-RTBURBONSA-N 428.581 2.416 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1749210288 GKBWFHCDQFDFFD-FQEVSTJZSA-N 438.532 2.459 30 10 IEEE COC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1749332032 DPBFMIVSJHHPIY-IBGZPJMESA-N 435.532 2.143 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749420475 GRGKIEGETMCSPW-QGZVFWFLSA-N 436.520 2.452 30 10 IEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749442121 NFTHJYFOLRAVEE-SFHVURJKSA-N 438.532 2.316 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(=O)NCC2CC2)cc1 1750382080 AZCFTILLUTVVBM-MRXNPFEDSA-N 434.422 2.110 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750793938 OMGKYZOTRIZZIZ-ZWKOTPCHSA-N 438.598 2.177 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1760118129 YOKIZUPJRZRUAI-HKUYNNGSSA-N 442.589 2.072 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760129551 RBQRPRDKJDFYDD-LJQANCHMSA-N 435.532 2.165 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1760173012 GSAZHQVAPOPYDG-QGZVFWFLSA-N 440.617 2.365 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1Cc1cccnc1N1CCOCC1 1760204679 YUHBFQYMXUXUTH-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760276472 FWQKERSSEFOLQG-QGZVFWFLSA-N 449.602 2.217 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760357111 DYKJATFYOYDZTB-UXHICEINSA-N 430.553 2.093 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NCCC)C1 1760541834 ANFKVZPUZUTCJX-PXNSSMCTSA-N 441.532 2.488 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1764648504 KLIFSTXAYNVITJ-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1765452942 FXZVTHBLVBTURL-PMACEKPBSA-N 442.589 2.314 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCSC)CC1 1765633802 OHAZWOUKVKODOW-UHFFFAOYSA-N 441.605 2.218 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OC)C1 1767607175 FRSHZRZTZAXACR-HSZRJFAPSA-N 431.500 2.231 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CCC(C#N)CC1 1768291512 QKESZYSXIAROQP-UHFFFAOYSA-N 446.577 2.235 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC=C(Br)C1 1770335431 DJDISDZBPLAORF-UHFFFAOYSA-N 436.335 2.350 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1770339514 IUUWKIIWJVWKQM-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCOC(F)F)CC2)c1 1770740805 NWEIQHNXFOBDLD-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1770933934 TXZLDGJZDDDDMS-QHCPKHFHSA-N 441.532 2.397 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(C)CCCS1 1771219934 SWTLCLXBNDLSSU-HGHGUNKESA-N 434.610 2.464 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1848723999 MQFDTVHOKBRNTC-JOCHJYFZSA-N 438.553 2.369 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)c1 1849844309 UVKJPTMFEHSAOG-FQEVSTJZSA-N 442.516 2.199 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCN(c3ccc(F)cc3)CC2)OCS(=O)(=O)O)cc1 1851495385 GDDJLSRCOWBTCU-NRFANRHFSA-N 449.504 2.129 30 10 IEEE O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851512145 VDPVEHAKJWNKQT-AWEZNQCLSA-N 443.447 2.399 30 10 IEEE N#Cc1ncc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(-c4ccccn4)n3)CC2)cn1 1851804649 JIVLAUWNGNUZIA-UHFFFAOYSA-N 440.389 2.181 30 10 IEEE COc1ccc(CCN(C(=O)[C@H]2CN3CCN2CC3)c2snc(Cl)c2C#N)cc1 1852496535 BMQPWNNZTLKDST-QGZVFWFLSA-N 431.949 2.252 30 10 IEEE C=CCN(CCCS(=O)(=O)NC(=S)c1ccc(Cl)cc1)[C@H]1CCN(C)C1=O 1854772760 WYYREONWAYMJDF-INIZCTEOSA-N 429.995 2.044 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC(N(C)C)CC3)ncnc2n1CCOC 1873560088 MSDNVAFPQFJJTN-UHFFFAOYSA-N 426.565 2.422 30 10 IEEE C=CCNC(=O)c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc2n1CC 1873569500 TTXXNJHFUUMJID-UHFFFAOYSA-N 448.527 2.418 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2O)cc1 1874219794 FCMFNCLUUDNGBO-YDZHTSKRSA-N 441.513 2.464 30 10 IEEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1891999740 CKEWXRPXCSLIFW-UHFFFAOYSA-N 431.474 2.160 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1896047757 ZCUJYLSGLGHXOO-BZUAXINKSA-N 427.542 2.332 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(I)cn1 1985058324 BAIFPMVQHKGQGM-JTQLQIEISA-N 430.246 2.326 30 10 IEEE C=CCN(CC(=O)NCCn1cc(I)cn1)C(=O)OC(C)(C)C 1985084205 HUXNEHMBAHGNHS-UHFFFAOYSA-N 434.278 2.027 30 10 IEEE O=C(COC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1)Nc1ccc2c(c1)OCO2 2040424934 LEVRGISUQIJTOX-UHFFFAOYSA-N 428.363 2.254 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060633827 RVMNASSUUCIYAK-CQSZACIVSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2063353174 KRUABJPPUQHBEC-RBUKOAKNSA-N 432.370 2.446 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2237387374 VJYAEORTUPXJGH-CABCVRRESA-N 439.306 2.478 30 10 IEEE C=C(CS(=O)(=O)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2247961292 CXYWJUCRSOQVQC-UHFFFAOYSA-N 442.387 2.303 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627739 XXXRODYCLMIOFD-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2255627969 AXFASTKZOIBRHN-CYBMUJFWSA-N 434.346 2.227 30 10 IEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOCCNC(=O)OC(C)(C)C 2255815325 MDLVYWADWKLTRZ-UHFFFAOYSA-N 437.346 2.383 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256618748 SEBMWNLMHZOVGU-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)[nH][nH]1 2256622369 GOVKVZVFAUPQSW-UHFFFAOYSA-N 429.286 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256638878 KJYOSBDWGQEXBK-KSFYIVLOSA-N 436.358 2.442 30 10 IEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267002863 GWOWGDNQPLMQRL-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1ncc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267011071 YJGHXKRDDJPXBI-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267091220 HNPKUUQFYMXROL-CABCVRRESA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccn(Cc2ccccc2)n1 2267176220 XEUZTDWQFKKYCP-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267287919 YSAWTBCCRZTIAW-INIZCTEOSA-N 449.357 2.070 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2267492930 WRHNPPMDDMFZBA-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]1CO2 2267494994 IVHMORDQVRLDLH-NYHFZMIOSA-N 448.325 2.087 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267579605 VPCXUEUSSCJASJ-UHFFFAOYSA-N 446.353 2.134 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267609703 UUUPOCLQLQLFRD-RDJZCZTQSA-N 443.353 2.462 30 10 IEEE Cc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2268634585 YTYMPYXKNOYPIY-INIZCTEOSA-N 447.341 2.001 30 10 IEEE C[C@H](NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268702402 VBWDVQVWJFFJSJ-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2299776264 MSZZOYHEYCSXDJ-UHFFFAOYSA-N 438.355 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)CCN(Cc2ccccc2)C1 2312529650 USPMHSMGCAEPKL-WDJPJFJCSA-N 440.544 2.297 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)n1C 2315590281 YFUMDTKYASBXOX-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343638593 FYRARPGEVXGGJZ-IRXDYDNUSA-N 449.332 2.410 30 10 IEEE COc1cc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1O 3526943 MFKCLGWGBREZIT-LZYBPNLTSA-N 430.236 2.384 30 10 IEEE CCCCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 33812692 PDTAHTJPBNLHIF-SFQUDFHCSA-N 445.614 2.411 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@@H]1c1ccco1 72461182 KGAMUZOPYJPTOE-GUYCJALGSA-N 433.424 2.360 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440388729 WCOXHMCSETXROU-SFHVURJKSA-N 449.463 2.079 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 460382572 AQEYWTLIPYUGKV-PMACEKPBSA-N 445.589 2.399 30 10 IEEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 475751786 AMQONQNELZUGJX-ACJLOTCBSA-N 439.299 2.290 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)C2=O)cc1 479051600 ALFLLOCHHGZFNF-RTWAWAEBSA-N 449.486 2.293 30 10 IEEE N#CCCn1cc(C(=O)NCCCCN2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 498430236 NAOISZPKWCKEFP-UHFFFAOYSA-N 426.477 2.214 30 10 IEEE Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCN(C(=O)CC#N)CC1 503627860 KPKCGHYXBZSKTI-UHFFFAOYSA-N 430.306 2.450 30 10 IEEE CS(=O)(=O)Nc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1F 504678747 WFIBSNXUFLTLEI-QGZVFWFLSA-N 448.501 2.223 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Nc2cccnn2)CC1 508799885 CGKTVXWSCDNBCF-UHFFFAOYSA-N 439.545 2.406 30 10 IEEE O=C(c1ccsc1)N1CCN(CC#CCN2CCN(C(=O)c3ccsc3)CC2)CC1 515814718 QXMYQIIRPMHEIF-UHFFFAOYSA-N 442.610 2.029 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC[C@@H](NC(=O)c3cccc(C#N)c3)C2)CC1 585988341 XKCUHKHYOYHQQR-LJQANCHMSA-N 441.532 2.425 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 601121095 IJWFFVLBIQSSMW-KRWDZBQOSA-N 434.562 2.359 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)cc3F)c2)C[C@H](C)O1 609229886 CRMJGKSVQZBWFK-GJZGRUSLSA-N 431.489 2.425 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)c1 609743540 BRGDMSNBDBGBKX-HXUWFJFHSA-N 441.509 2.028 30 10 IEEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC(c3nnc4ccccn34)CC2)C1=O 726585484 XVYYJRDOKLHPOS-UHFFFAOYSA-N 429.484 2.202 30 10 IEEE CN(CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(c2ccccc2F)C1=O 732801897 KPTGWKRGRZZCFL-FQEVSTJZSA-N 435.459 2.156 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 734278190 PTBGPGOSXATTNO-NRFANRHFSA-N 441.576 2.453 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1 735867571 BXTGVJPFVWTUIM-UHFFFAOYSA-N 430.896 2.374 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 749161720 GFBWVXJBTAGYPQ-ZROIWOOFSA-N 441.509 2.091 30 10 IEEE Cc1ccn2c(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)nnc2c1 755778188 XKZMEKQXSKCIPK-UHFFFAOYSA-N 426.502 2.275 30 10 IEEE Cc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 759226983 MMIUDOZDPMGXTD-INIZCTEOSA-N 430.327 2.186 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@@H]3CCCO3)c2=O)c1 763436972 WVNDAPSUZUUGKD-SFHVURJKSA-N 425.554 2.080 30 10 IEEE N#Cc1cccc(CN(CC(=O)O)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 776710490 SWXWTQJHPDEXNO-UHFFFAOYSA-N 441.387 2.335 30 10 IEEE CC(=O)Nc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)cc1 789969599 WJPALRUPDCYUIU-QGZVFWFLSA-N 425.518 2.265 30 10 IEEE CCN(CC)[C@H](C)CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cccc(NC(C)=O)c1 794440778 JZRJOBZRSSPURU-RDTXWAMCSA-N 433.578 2.443 30 10 IEEE C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 795966366 ABPBFTVMSSHSSE-OAHLLOKOSA-N 442.497 2.312 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802568173 QCSKCBRQAIRXJH-SFHVURJKSA-N 426.546 2.101 30 10 IEEE COC(=O)[C@@]12CCOC[C@@H]1CN(c1nnc(-c3cccc(C#N)c3)n1C[C@@H]1CCCO1)C2 802689786 QZRXZBYJUAZPMR-SFYKDHMMSA-N 437.500 2.012 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cnn(C)c1 803108913 JOQIYDXGMIRZDR-KRWDZBQOSA-N 436.476 2.419 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 805231811 WWPCEQNCIFEOLE-GFCCVEGCSA-N 430.848 2.167 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCc2cccnc2C#N)cc1 813165197 XSTBIULLTNQMEI-HXUWFJFHSA-N 427.482 2.442 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 919098696 PVFXVBZNVYFQFB-OAHLLOKOSA-N 437.422 2.495 30 10 IEEE N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)ncc2c1COCC2 1129874026 MRSDPKQKKPULGM-GFCCVEGCSA-N 425.376 2.065 30 10 IEEE COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1154935792 PNNZPUPLBCWCHE-UHFFFAOYSA-N 430.354 2.004 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCCc3ccccc3S(C)(=O)=O)ccc2c1=O 1177353998 HXKPAZRONPQTGF-UHFFFAOYSA-N 443.550 2.247 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1178718290 NRHJYSPJUOAJEO-OAQYLSRUSA-N 430.574 2.334 30 10 IEEE CC(C)C[C@@H]1CN(C)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1178757055 KBRBJZIRVGWOLP-GOSISDBHSA-N 434.606 2.474 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)C2)ccc1Br 1187163389 APOMWDPTFSWOON-UHFFFAOYSA-N 436.213 2.136 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286354298 KWAQSFKCXCAWMH-UHFFFAOYSA-N 432.576 2.350 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1286382366 IYNYYIVMHWOPCS-GOSISDBHSA-N 441.469 2.121 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286394216 NXKKSRDTTULEON-QUCCMNQESA-N 446.548 2.181 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286394315 OJBUQPXUJHYVSQ-CQSZACIVSA-N 436.525 2.468 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn(C2COC2)nn1 1286440956 NVDQVAJBEVKXLQ-UHFFFAOYSA-N 427.896 2.278 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](COCCOC)C1)c1ccccc1 1286617188 JZWQMSQCQYIRQR-AZUAARDMSA-N 425.533 2.432 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286618695 FVKOVYCRDFLLKB-UHFFFAOYSA-N 433.944 2.289 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)CC)CC1 1286646664 ULVYKXPKQIZQPT-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286701836 ALNMDVIABNPBRS-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NCC)CC1 1286708567 QQXRDKPNVNAWOC-UHFFFAOYSA-N 443.508 2.298 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1286749242 NXZZMYYYJNAGEG-LJQANCHMSA-N 444.605 2.200 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@](C)(CC)C1 1286791971 IWPSJTNJQKUFHT-JOCHJYFZSA-N 429.521 2.173 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1286970949 YOBNZDFODDUAJH-RDJZCZTQSA-N 431.562 2.052 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)cc1 1289878249 FEZOHIDYFRDQPZ-KRWDZBQOSA-N 442.545 2.450 30 10 IEEE Cn1nc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1NC(=O)OC(C)(C)C 1292725389 WLYYPVWGMWGPBO-UHFFFAOYSA-N 425.493 2.433 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1298535565 GYHUSUIIQHFMGY-IBGZPJMESA-N 431.500 2.364 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300380630 DFNUYYBGDSBVHS-SJORKVTESA-N 443.891 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300487389 ITCVAJRPFAIZNO-GOSISDBHSA-N 439.516 2.349 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300492927 PRENMOKBVFSLEE-RBUKOAKNSA-N 443.573 2.234 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)CC1 1300703247 CPCFOQLCECWNSS-UHFFFAOYSA-N 448.596 2.424 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnn(CC)c2)CC1 1300707432 YPIDCHSNWOVJJV-UHFFFAOYSA-N 433.560 2.092 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2sccc2C)CC1 1300726820 RJQCTQPQMLMTGW-SFHVURJKSA-N 427.574 2.360 30 10 IEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1300756500 OYLDXFUBSCMXMY-INIZCTEOSA-N 437.573 2.491 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1300760729 GIOUKEOPDZEBAI-QGZVFWFLSA-N 447.634 2.415 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nncn1CC 1301420671 HYKRNSZYFYXBGL-UHFFFAOYSA-N 425.493 2.015 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301491051 CNTCYACFJRBTFC-MRXNPFEDSA-N 428.512 2.080 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)C1 1301555250 AEBPILLJCZBLSI-HOTGVXAUSA-N 437.591 2.051 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1302123589 KBHRIGOGGOOQDQ-OAQYLSRUSA-N 444.511 2.303 30 10 IEEE CS[C@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302676441 CYHMGSFBBZNBIA-JXPGLKHUSA-N 446.577 2.378 30 10 IEEE C#CCN(C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656560 YVQTVEMWEUHGRP-OALUTQOASA-N 445.560 2.413 30 10 IEEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1307909281 PFYMAAZMARSLRW-VBKZILBWSA-N 439.468 2.124 30 10 IEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1316360333 UDPIZPVKKNSQCL-UHFFFAOYSA-N 440.451 2.065 30 10 IEEE CC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ccccc1 1357483803 JTAUNTXFMDASOY-BSYVCWPDSA-N 428.514 2.491 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1358933014 FKPILCICFXGDDH-IBGZPJMESA-N 427.471 2.344 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358954177 XVIIPMPACMFRLB-LJQANCHMSA-N 442.539 2.008 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1csc(CC)n1 1359018058 BOEBHUOAQRKKBU-UHFFFAOYSA-N 425.518 2.079 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1359052786 QAZLEPOEOBNWFZ-SFHVURJKSA-N 443.573 2.434 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1359061632 HQTPXDJBDPXNPW-UHFFFAOYSA-N 445.545 2.121 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@H]1C 1359077497 DEEVGZZGTMEKBJ-QJPTWQEYSA-N 438.417 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1359106363 BKESDYWBASOFBY-UHFFFAOYSA-N 427.553 2.099 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1359115962 SSTPWURTLVDWHM-GOSISDBHSA-N 426.569 2.205 30 10 IEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1359151653 YGJFQILGHDURRL-ZIAGYGMSSA-N 442.948 2.039 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359186467 HFGFRNUDNFEANN-UHFFFAOYSA-N 442.612 2.271 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359224574 WKOPDKAIEDDNIE-PXNSSMCTSA-N 438.536 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1359329977 BJAABDQFBGUXLJ-UHFFFAOYSA-N 441.513 2.306 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@](C)(O)c2ccco2)CCOC1 1360338654 HZIRWWPMWVBJAU-PCCBWWKXSA-N 433.484 2.261 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cnn(C)c2)C2(CCOCC2)C1 1449897858 SZRSIHMOPMUKIL-RBUKOAKNSA-N 430.549 2.449 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCN(c2cnccc2C#N)CC1 1450466761 DMEMHVYSSOXDIQ-IBGZPJMESA-N 436.516 2.133 30 10 IEEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 1451219717 HOSHEDJXHDHBSL-UHFFFAOYSA-N 442.541 2.138 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cnc(O)c4ccccc34)C2=O)cc1 1455910651 ZOASEBANLRJOTM-LJQANCHMSA-N 429.436 2.333 30 10 IEEE COc1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc(Cl)c1OCC(N)=O 1456065456 RIIYAVZVVOCJCP-HNNXBMFYSA-N 443.891 2.196 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C/c2cncc(C(=O)NC)c2)n1 1464711877 LAGDHEAXLLNLNL-SNAWJCMRSA-N 441.542 2.207 30 10 IEEE COc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCCC1 1469872129 MCKFJXXJPZGFES-IBGZPJMESA-N 443.525 2.157 30 10 IEEE O=C(NCCS(=O)(=O)C1CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470519679 QBNMAOFDAIYYAF-DTORHVGOSA-N 444.344 2.376 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 1471451219 PZFQUQNRSSVYJH-UHFFFAOYSA-N 442.585 2.443 30 10 IEEE CCc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1C[C@H](F)COC 1499153180 LTBJVZPAQCZWLY-AWEZNQCLSA-N 429.456 2.271 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCO[C@@H]2CCOC2)c1 1505318519 XWJWMEGWKVUJCL-LJQANCHMSA-N 446.502 2.399 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1507539062 QSLWTYWFAQANHM-AEFFLSMTSA-N 438.557 2.087 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@]1(OCC)CCOC1 1507576817 ZWDZSJJQQABMSM-AVRDEDQJSA-N 433.553 2.449 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507593586 CRULSMWTFVWHAM-OAQYLSRUSA-N 426.546 2.158 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507625802 LFBLFFNFRYFVKG-GOSISDBHSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 1507636790 DLKZGBXEQLGJPD-KRWDZBQOSA-N 428.514 2.236 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)N1CCOCC1 1507661281 QVOATVATEYGQSC-UHFFFAOYSA-N 442.523 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN1c2ccccc2C[C@@H]1C 1507673552 VVYBCRXYEVGTSB-FQEVSTJZSA-N 430.556 2.315 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507981184 XAEBDULRLKZAOQ-RTBURBONSA-N 430.578 2.090 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1507987314 XSXXCYTXWAODCR-HNNXBMFYSA-N 427.571 2.407 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1508017697 UVRUDRAAXRCWDM-SFHVURJKSA-N 429.546 2.054 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCC(C)C)C1 1508094709 ZPFIMUYQZBNRBE-FXAWDEMLSA-N 441.532 2.344 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1508095831 WJWFZIRNMNFKTK-UHFFFAOYSA-N 428.581 2.198 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1508700540 RFXCFWADRBYMQV-ILHIWHGASA-N 437.516 2.423 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCOC[C@H]1OC 1513371655 FUCRVJANJNZCAL-AQOAWAETSA-N 432.569 2.378 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)C1 1517513091 HKCFVEVRPKODKP-SFHVURJKSA-N 426.521 2.116 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 1519190686 IHXWMFQIVMJIHN-MCFFVMPBSA-N 426.521 2.175 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1519380348 FXAIVPQDBOZKTB-XXBNENTESA-N 441.532 2.112 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1521115263 MURMJTGPZRGAPW-GOSISDBHSA-N 433.553 2.446 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCNC(=O)CCCc1ccccc1 1529597318 ATQSDTOXZPNSMO-UHFFFAOYSA-N 432.528 2.406 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1531717186 ATICZJIYIUEKTM-UHFFFAOYSA-N 430.505 2.346 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1534664303 IGEGJAUGJQOEMB-MRXNPFEDSA-N 446.504 2.490 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OCC 1535345258 UDLFQBXNOUQVEN-VFNWGFHPSA-N 433.892 2.176 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539202718 KLLANDLSDXHRER-AEFFLSMTSA-N 446.573 2.484 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1539264142 WPITZHOHJMVCST-JOCHJYFZSA-N 433.556 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1539306909 MKEWGXUBUFHXBA-PMERELPUSA-N 426.542 2.336 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539514405 YZEDWHKNHWGXRJ-INIZCTEOSA-N 431.566 2.148 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1539677474 DNXYGEPSXSTSSP-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539722220 CNSRKDKTYADPIL-QFIPXVFZSA-N 427.553 2.320 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1540907854 KTNPBEIGEQZURY-UHFFFAOYSA-N 432.594 2.025 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccc(Cl)s1 1541104575 AJZKYEVVLCDOLG-RYUDHWBXSA-N 430.987 2.442 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541115590 BPGLISBZXDKDHO-RDGPPVDQSA-N 444.559 2.114 30 10 IEEE CN(C)CCn1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)n1 1544608174 NPSFAWUAVOFGDN-GFMRDNFCSA-N 446.577 2.290 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1548045800 FUQBSOFYYVCCHL-BSBNDGSWSA-N 440.504 2.378 30 10 IEEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1554690218 KGGNGLRGIHSFHD-MGPUTAFESA-N 433.534 2.089 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)N(C)C1CCCCC1 1555727591 IKNWYAIDLJLUHH-UWVAXJGDSA-N 432.569 2.389 30 10 IEEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC[C@H]2CCOC2)CCO1 1555995369 PBZSMKJRYLDUDS-RTWAWAEBSA-N 425.533 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](Nc4ncccn4)C3)C2)C1 1557184724 LGWHFMQKRPIMDF-IZCOPSDLSA-N 426.521 2.276 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCO[C@H](CC(N)=O)C2)c1 1557816500 JDBVIIMFPAHWTJ-QGZVFWFLSA-N 438.509 2.005 30 10 IEEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1559948882 HAPRANNGWALWAS-TVFCKZIOSA-N 441.576 2.330 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(I)s2)c1 1561147776 CVQLWMJPLMMDER-UHFFFAOYSA-N 446.291 2.251 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(I)c1 1561725300 SOWXRWCGVMUXFM-UHFFFAOYSA-N 435.283 2.257 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1564531740 XLEPFDJJOAZGDE-ZJIFWQFVSA-N 449.552 2.252 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(O)(c2scnc2Br)CC1)C1CCOCC1 1565105449 IDLBMPZJGGBHEO-CYBMUJFWSA-N 428.352 2.327 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)n[nH]2)c1C 1566304082 ROMNMMWMFPPREF-UHFFFAOYSA-N 434.500 2.380 30 10 IEEE C#CCN(CC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F)C(=O)OC(C)(C)C 1570489245 FVMNBVAFMZQMTH-OAHLLOKOSA-N 439.434 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OCC)c(OC)c1 1587662566 OZGQMKVVCCLFPT-MRXNPFEDSA-N 441.532 2.323 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588075093 XODROZUJDAGMDR-BZUAXINKSA-N 435.575 2.017 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1588180436 FUVLUXYSFQKGRR-QGZVFWFLSA-N 449.490 2.231 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)Nc2ccccc2)CC1 1588857032 HPQHZYUBCQLLBI-UHFFFAOYSA-N 449.584 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C)CCOCC2)CC1 1588924161 VRNFBTYQNUAJHN-UHFFFAOYSA-N 436.560 2.431 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)=O)CC1 1589069127 IUWJZWQKKHQRQC-HXUWFJFHSA-N 441.557 2.262 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1595570082 WUBZKHGJCLIDLZ-CQSZACIVSA-N 444.486 2.105 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1597740281 VLEDRRXSEVNVDT-IPMKNSEASA-N 444.580 2.232 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1611527483 HVCBZFYROTWHAS-MSOLQXFVSA-N 430.505 2.100 30 10 IEEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCOC1(C)C 1613021175 GPTFEUAMWBJBGB-OAHLLOKOSA-N 429.546 2.398 30 10 IEEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1619390809 HYUCGHJYUHVWNR-JTSKRJEESA-N 428.512 2.364 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@@H](C)O1 1619753874 GFGIXWHRKNCPQL-APWZRJJASA-N 429.521 2.130 30 10 IEEE C#CC[C@H]1CCN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 1622810169 ARTPBMQWZPXNCY-FQEVSTJZSA-N 432.528 2.245 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C/CN2CCOCC2)c1 1625037188 VCRGVAGDQXOHDX-SESZCEBQSA-N 434.562 2.107 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(C#N)s2)cc1 1626826985 TYLPGSJHQWVBJQ-KXBFYZLASA-N 433.555 2.183 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN1C(=O)c2ccccc2C1=O 1628085845 DRKRNUHRSRPODX-GOSISDBHSA-N 427.501 2.486 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)cc1 1637131436 SXZDCNBOFUKJJA-LJQANCHMSA-N 426.498 2.312 30 10 IEEE N#Cc1cncc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 1638830686 LLNQNSCYGLUSHG-UHFFFAOYSA-N 436.896 2.463 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CC3(CCOCC3)CO2)C1 1643804686 XLEDMHQJEMXFIQ-QGZVFWFLSA-N 434.334 2.459 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]32)c1 1648465543 LRBPQAFOYVPKCE-BHIYHBOVSA-N 445.338 2.429 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1648779042 FDFYCHARLSGGOQ-JBVUFVISSA-N 449.935 2.091 30 10 IEEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H](C)C[C@H]1C 1648936581 GWMRRRWQRWPGTH-PASDCYSWSA-N 435.546 2.235 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)C[C@@H](C)O1 1649557014 DUSBIVKDYGGTDK-KURKYZTESA-N 439.564 2.016 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)c(Br)cn3)CC2)cc1 1650317810 WCDWPXWZCVBJLV-UHFFFAOYSA-N 449.330 2.429 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCN(c3ccccc3Cl)CC2)c1 1651002647 CJSLWQGKBXKMPF-UHFFFAOYSA-N 432.933 2.229 30 10 IEEE N#Cc1cn(CC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c2ccc([N+](=O)[O-])cc2c1=O 1652647161 VUURDPONGGMAKZ-UHFFFAOYSA-N 436.346 2.151 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC([C@H]3COC(=O)N3)CC2)n(Cc2ccco2)c1C 1655761661 XBKMIUNJUJWMCM-LJQANCHMSA-N 425.489 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3C(=O)N[C@](C)(c4ccc(C#N)cc4)C3=O)O2)C1 1655973545 OMFHPXOAOMLGRQ-VGOFRKELSA-N 440.500 2.494 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1665727819 IZLHMEQFSKDZLR-XMMPIXPASA-N 448.408 2.180 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)CC1 1667364153 VGRJAGGOOAGCFX-UHFFFAOYSA-N 443.529 2.108 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)n1 1673594057 VBESCZDJCWFBNC-OAHLLOKOSA-N 432.452 2.276 30 10 IEEE N#Cc1c(CCCNC(=O)NC[C@@H]2CCC3(CCOCC3)O2)nn(-c2ccccc2)c1N 1684445032 PKCDESZGTPPQRL-SFHVURJKSA-N 438.532 2.286 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1c1ccccc1 1686341209 FGZFTTDBEXUVOS-VSKRKVRLSA-N 446.507 2.257 30 10 IEEE CCON(C)C(=O)CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1686961636 PLFZIGODHBFIJZ-YUMQZZPRSA-N 427.292 2.209 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689991828 DCEVTVFLSBZHNI-OFNKIYASSA-N 442.585 2.373 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689994114 RGLZQIQAIJKBHS-ICSRJNTNSA-N 435.638 2.368 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689994190 STETZKQILCBYGI-LJQANCHMSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)cc1OC 1690015697 VILRACDTMNSGSZ-UHFFFAOYSA-N 433.468 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCN(CC)CC1 1690040854 QVMXRBMPEKRHRZ-HXUWFJFHSA-N 448.571 2.163 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690098637 PNUHGVJKFNFMBM-KDURUIRLSA-N 426.565 2.314 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690119576 KNTQOFUHBFSIDJ-UHFFFAOYSA-N 427.574 2.058 30 10 IEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1690183899 AMXUFVCYLUEUSV-GOSISDBHSA-N 447.992 2.398 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCOC 1690243024 GKECAAYNOUKTCU-AEFFLSMTSA-N 448.593 2.302 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1690254436 AOVQKCRQWRXPHI-LJQANCHMSA-N 440.596 2.354 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1)c1ccccc1 1690324259 MNVFTOTXYHYQLY-FQEVSTJZSA-N 443.573 2.481 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 1690512361 VNOMETNQBXRHIJ-UHFFFAOYSA-N 426.565 2.044 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690675779 FARHTDSBBCVQLT-SJORKVTESA-N 429.496 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC)c2)C1 1690699537 GJIOJBAIKAIPTB-UYAOXDASSA-N 446.573 2.409 30 10 IEEE CC(C)CSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1692454356 NWSUHNYLWAVSPN-OAHLLOKOSA-N 428.628 2.408 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1692852858 LKHSSEXLGFVGBT-LAUBAEHRSA-N 446.506 2.221 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H](C)O1 1693829570 AYTFAOKOWBAPEZ-GBESFXJTSA-N 440.548 2.063 30 10 IEEE COc1cccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1697544928 YLULSLLAMGGFLL-DLBZAZTESA-N 447.561 2.254 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@@H](C)C1 1698060273 ASVMJJYHJCQAEU-MSOLQXFVSA-N 431.585 2.106 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OC)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705561061 NCAKYNUNNDMWSS-OAHLLOKOSA-N 442.463 2.289 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705684947 IAWKJIRGJFZPJB-DYVFJYSZSA-N 437.386 2.053 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705701092 CGFZSQGZVXCMIZ-UWVAXJGDSA-N 433.578 2.114 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705822529 IEFMUWCIXJWEOJ-CVEARBPZSA-N 428.562 2.198 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(C)=O)CC1 1705880278 AJCCBVPDCKQHQD-FQEVSTJZSA-N 440.548 2.316 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705914174 IFLKTUVUSJNYIZ-QFIPXVFZSA-N 427.505 2.459 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1706530835 WHUHRNVPAFJJRB-IBGZPJMESA-N 446.577 2.007 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1706825367 FUHCNJVKHZHEOE-NVXWUHKLSA-N 427.509 2.230 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1708169571 XRWBJAJYLQXWII-LLVKDONJSA-N 444.293 2.216 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1708759341 FKQBPRJETQVIPI-OYHNWAKOSA-N 442.520 2.094 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC)cc1 1710537342 CHBUJZNPXARKTP-QVKFZJNVSA-N 430.484 2.395 30 10 IEEE CS[C@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712779537 TZUTXWUAKABGIV-PBHICJAKSA-N 435.575 2.415 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722277844 NWPJFSQVGZZTLW-ZWKOTPCHSA-N 447.543 2.288 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1722282494 PYPMQIRYDQDTSA-BTYIYWSLSA-N 448.614 2.283 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1722317071 QDEPYIIJQARXMU-YRPNKDGESA-N 449.621 2.429 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722455392 MRGOQYSWMDZCCJ-UHFFFAOYSA-N 432.557 2.243 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)CC1 1729219085 IDZFUCZHLONTAZ-UHFFFAOYSA-N 446.577 2.294 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2)c1 1730994059 ALGPOHMSIPNFJO-IAGOWNOFSA-N 447.586 2.363 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740624876 KZEAJAVDUKBJTM-PMPSAXMXSA-N 434.512 2.430 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625128 OEUJMLVMQSNZEB-GOSISDBHSA-N 433.603 2.451 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1740638705 LTJVQRFLDDDDAG-YADHBBJMSA-N 430.556 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)c2ccccc2)CC1 1740704112 HWFSSLCHKLWHKS-NRFANRHFSA-N 447.543 2.032 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740790585 UDPWCMMJERUVQC-QZTJIDSGSA-N 441.532 2.270 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740808805 YABJGELYOOHBSD-OXQOHEQNSA-N 445.999 2.415 30 10 IEEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740886725 QNDHYZSLAIYOOG-UHFFFAOYSA-N 425.533 2.491 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 1740977775 YDOUHHFOXWQWBG-QGZVFWFLSA-N 431.541 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740992449 QLIXAIVLGFMBNC-CVEARBPZSA-N 430.521 2.254 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)c1ccc(F)cc1 1747552594 DRGFYKFVBYOEGQ-RTBURBONSA-N 425.512 2.411 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1748106493 OPAXNPMUXJVYEC-SJLPKXTDSA-N 432.532 2.094 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748868937 NSZMJQCMOVOJGB-WZONZLPQSA-N 445.564 2.306 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCCCO)CC1 1748979719 JTTONJSXABRPAP-SFHVURJKSA-N 443.617 2.286 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1749292574 SMNHPIZJMVIRID-QHCPKHFHSA-N 425.533 2.495 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1)C1CC1 1749506413 MLINPFIVMGIKSV-UHFFFAOYSA-N 438.532 2.108 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(F)c(F)c1 1749730778 QHGOTQMTAARQLS-UHFFFAOYSA-N 434.472 2.251 30 10 IEEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCCCCO)CC1 1750379905 XWWGERJRVDOXOZ-QGZVFWFLSA-N 428.512 2.282 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1750948286 HIHLXSOOHHCHKR-IIBYNOLFSA-N 449.481 2.439 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760133130 WDRIXQLBEACGDN-UHFFFAOYSA-N 433.472 2.313 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1 1760173378 SNSRKCNSVNAVTF-KRWDZBQOSA-N 441.532 2.299 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760245721 CJVOLIQSKXNHON-RTBURBONSA-N 426.565 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCC(C)C)CC1 1760266386 XGFKWOVILUDLPJ-QHCPKHFHSA-N 431.581 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)COC)CC1 1760270665 VHGOAWFQQWXANI-SFHVURJKSA-N 439.560 2.126 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760272702 SJKVDQBGDJCNKF-INIZCTEOSA-N 429.594 2.290 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc3cccnc23)CC1 1760273416 SRXLARZGLVBWAR-UHFFFAOYSA-N 432.528 2.377 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnccn1 1760449172 CMDNIJKLFOESPG-UHFFFAOYSA-N 446.515 2.211 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl)C1CC1 1760476843 IJBSVLQDDKTRFA-CQSZACIVSA-N 437.953 2.462 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760521444 SMMOKAQEZIZIEK-OAHLLOKOSA-N 431.562 2.449 30 10 IEEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760564470 ADJGYXHRDXBGRO-QGZVFWFLSA-N 425.624 2.469 30 10 IEEE CC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1760679135 CYRQBSVGWROPMV-UHFFFAOYSA-N 435.488 2.040 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1766185537 VNCQMRNSRHOQEP-HXUWFJFHSA-N 437.548 2.086 30 10 IEEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cs1 1767996169 BDCRRBISSKTJHW-AWEZNQCLSA-N 437.529 2.355 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1769841684 GZKRGDMWKVMISI-QHCPKHFHSA-N 433.516 2.338 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1770160653 YEFPGIXATDBUCA-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1771276737 KKLDOXKWXLCQBG-AZUAARDMSA-N 440.548 2.065 30 10 IEEE N#Cc1cccnc1OCC1CCN(CC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 1848920187 AKUJYKQXJJJKBN-UHFFFAOYSA-N 432.480 2.299 30 10 IEEE COC[C@H]1CCCN1C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1851983980 CWIMSHYECUVXRH-CTNGQTDRSA-N 427.526 2.085 30 10 IEEE Cc1cccc(N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2nccc(N(C)C)c2C#N)c1 1853241937 WDCQKGAYHVJAOF-IBGZPJMESA-N 427.530 2.416 30 10 IEEE C=CCN1CC[C@@H](N2CCN(C(=O)C[C@@H](OC)c3nc4ccccc4s3)C(=O)C2)C1 1853741105 HUDKMOISMRZCRZ-SJLPKXTDSA-N 428.558 2.305 30 10 IEEE COc1ccc(Cl)c2sc(N3CCN([C@H]4CCN(C(=O)CC#N)C4=O)CC3)nc12 1854565095 VJELMUIZHQITAT-ZDUSSCGKSA-N 433.921 2.121 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(C)n(C)n1 1857011768 NVBUILFJVJCIKW-MRXNPFEDSA-N 428.514 2.187 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)c(OC)c2)cc1 1859010263 RSMRTNPLROOXNO-UHFFFAOYSA-N 448.497 2.277 30 10 IEEE C=CCNC(=O)[C@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1861510854 RVYFMBXAAHNTON-FQEVSTJZSA-N 435.480 2.302 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1 1862629823 FRUQTYTXXMGWGU-BBATYDOGSA-N 426.381 2.283 30 10 IEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2Cl)C1=O 1863777348 BUVNIELKFSWFGE-UHFFFAOYSA-N 431.901 2.043 30 10 IEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1 1870158116 MTUIWWTWFBSDIW-UHFFFAOYSA-N 430.424 2.496 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCCn1ccnc1 1870578089 DMNIQDJNLXMBPE-UHFFFAOYSA-N 441.561 2.152 30 10 IEEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870692985 YSXBHYXNMRKCTR-UHFFFAOYSA-N 441.528 2.307 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712824 WGCZYLJDHQCTFA-UHFFFAOYSA-N 439.564 2.162 30 10 IEEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccccc2Br)C1=O 1873073360 UDWSZVNYEKYFGA-UHFFFAOYSA-N 434.334 2.027 30 10 IEEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873596030 CXYDXDSLWRNYDL-UHFFFAOYSA-N 428.581 2.430 30 10 IEEE C=CCn1c(C(=O)Nc2cc(OC)cc(OC)c2)cc2c(NCCNC(C)=O)ncnc21 1873634326 WHFQGCZWIJVXOA-UHFFFAOYSA-N 438.488 2.435 30 10 IEEE CN(c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 1879108515 DAEMUMFEGIMYMD-LBEPJEHYSA-N 446.353 2.367 30 10 IEEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1902431761 RCTQCAZORBJVHY-OALUTQOASA-N 436.574 2.265 30 10 IEEE C#CCC[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 2009949985 SRSIDCWOKAOPBO-MBSDFSHPSA-N 429.517 2.139 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2010029968 WFYQQXAKOGBKML-MBSDFSHPSA-N 429.517 2.139 30 10 IEEE Cc1cnc(N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224123262 FMLMVOKGJYFKHM-INIZCTEOSA-N 433.358 2.419 30 10 IEEE C=C(CS(=O)(=O)NC[C@H](CCOC)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247906539 ZVZWVFIGEFGIQJ-HNNXBMFYSA-N 448.391 2.023 30 10 IEEE Cn1nc(C(=O)N(CCCO)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247912032 AJZVJEXXAGTNTH-UHFFFAOYSA-N 433.745 2.398 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255700069 XFTBQCYPGPOEQT-WMLDXEAASA-N 431.342 2.366 30 10 IEEE Cc1ccnc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828197 CGNVXFKJIBBSRZ-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255871673 NKQPPRTYLKJOOB-IAGOWNOFSA-N 432.326 2.008 30 10 IEEE CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256625819 BZCJIYUONAHZAU-SJORKVTESA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267099340 JVORNQMMDNHOQI-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)n1 2267180905 KUCCVFITYMASFS-QFIPXVFZSA-N 448.373 2.143 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2267526693 WIHZYIIUQNMASM-MOPGFXCFSA-N 436.365 2.127 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529529 MONVEVWUBGMVLN-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267595684 GIKPTGJXFGKNTQ-UHFFFAOYSA-N 433.321 2.293 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267596104 LORFPESLFAJDQT-GJZGRUSLSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268632483 KXYIHXDOKJYHTK-HNNXBMFYSA-N 446.353 2.151 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268639114 MPUNQVJXYLLXCB-GOSISDBHSA-N 448.369 2.484 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)nc2)OC1(C)C 2269057902 OHLWRTXRJSISFV-SFHVURJKSA-N 440.305 2.171 30 10 IEEE C#C[C@H](C)N1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2315338017 BRXYGBCCMRKWGJ-CPJSRVTESA-N 440.588 2.322 30 10 IEEE COc1cc(C=NN=c2ccc3nnc(C)n3[nH]2)ccc1OCC(=O)Nc1ccccc1 2328809215 GZQDKXYTVBORIA-UHFFFAOYSA-N 431.456 2.327 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2337199761 YXTSCHCYOALKJE-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203546 ZBXDCWBQKCYOCU-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)c1 20527266 PCUAOQCEKJQXKN-KEBDBYFISA-N 442.461 2.086 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCCc1ccc(Cl)cc1 20914756 PWOSYECBPBYQAU-FOKLQQMPSA-N 445.936 2.248 30 10 IEEE N/C(CC1(Cn2cnc(I)c2I)CC1)=N\O 304267548 CSRUGBQNOHMKFU-UHFFFAOYSA-N 446.030 2.009 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCn3c(nnc3-c3cccnc3)C2)ccc1C(F)(F)F 410419484 GVUZIWSDESFNCR-UHFFFAOYSA-N 434.403 2.435 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 431241603 DSEPGHJCKNDIPR-IVZQSRNASA-N 444.509 2.324 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCCN3CCC4(CCCCC4)CC3)CC2)c1C#N 441013621 HZVDJBGHVHEPJU-UHFFFAOYSA-N 427.597 2.478 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC2CCC(C#N)CC2)CC1 441146215 JGWGGFDJIPAGMI-UHFFFAOYSA-N 447.557 2.320 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccccc3Cn3ccnc3)C2=O)cc1 443036540 FHUNJYWOJPPSFB-HXUWFJFHSA-N 435.509 2.277 30 10 IEEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 468992079 PESJFTAVZLQNFW-HNNXBMFYSA-N 437.466 2.212 30 10 IEEE N#Cc1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cn1 481602987 XBNUWEONCYPQHX-MRXNPFEDSA-N 449.330 2.299 30 10 IEEE Cc1ccccc1-n1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 481964660 PPFMNFYOSYTFIK-UHFFFAOYSA-N 435.509 2.199 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)NC(C)(C)CC 506912729 WIAOXNWCTZLVEJ-INIZCTEOSA-N 434.518 2.055 30 10 IEEE C=CCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508492395 JIZHDTFWKJONRA-OAHLLOKOSA-N 434.522 2.397 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512110519 SRICAASNDDMRIE-LBPRGKRZSA-N 431.424 2.328 30 10 IEEE C[C@@H](Oc1cccc(CO)c1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 513967191 GACMUWDFANGRRI-OAHLLOKOSA-N 437.475 2.474 30 10 IEEE C=CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 537303518 PMSKQXXPIPHNMQ-CYBMUJFWSA-N 442.526 2.457 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1[N+](=O)[O-] 538144921 OETJEAGBRHAKNS-HNNXBMFYSA-N 443.485 2.244 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542942383 SNIGTQVPNQYHLG-UHFFFAOYSA-N 441.490 2.294 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(CO)CC4(CCC4)C3)CC2)cc1 568471672 VLSOJVNWWBNRAU-UHFFFAOYSA-N 431.558 2.018 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)sc2c1CCC2 586347121 JRYPKSBTSRNGQT-LJAQVGFWSA-N 431.495 2.163 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 588156296 UGLOYVPNSBDJRM-UHFFFAOYSA-N 443.528 2.179 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)nc1 608968008 LKHATRRPMUDPDA-QGZVFWFLSA-N 425.439 2.370 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2n[nH]c3ccc(I)cc23)CC1 610291858 RBKQJJUEGWBSAU-HNNXBMFYSA-N 437.285 2.473 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613785059 UFNJJEFVQQLQOH-GOSISDBHSA-N 438.553 2.398 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)c1F 669650691 NBJCKRKNLORNJY-OAHLLOKOSA-N 444.528 2.355 30 10 IEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ncc(Br)cc1C(N)=NO 711770801 GXFBKNYATCNGNU-IBGZPJMESA-N 434.338 2.012 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)cc1Cl 729672499 QQXXYQREMODAOE-UHFFFAOYSA-N 433.880 2.235 30 10 IEEE CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OC(F)(F)O2 730139125 PTOIVFPQNKTGGE-OAHLLOKOSA-N 442.488 2.418 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 731918736 UTPDCQILIIZGMU-CYBMUJFWSA-N 428.470 2.196 30 10 IEEE CCN1CCN(c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2)CC1 754378772 HYZWRQBRIAMREQ-FQEVSTJZSA-N 427.549 2.414 30 10 IEEE Cc1c(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)cnn1C 758060342 YMXKUFJPQMFXJT-SFHVURJKSA-N 446.552 2.067 30 10 IEEE COc1ccc(CNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N 760826875 YIOPDGKSPKMWAQ-KRWDZBQOSA-N 430.505 2.089 30 10 IEEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 760963397 RGWSNOVJOOVSCY-MRXNPFEDSA-N 449.573 2.476 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1C 766419066 LMNKRZIFFGRZJN-LJQANCHMSA-N 440.573 2.293 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(-c3ccccc3C#N)c2=O)cn1 767883451 IIJVKPJYDVUVSR-UHFFFAOYSA-N 443.532 2.157 30 10 IEEE C#CCN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 772149556 PWBDEQSDTKYBTE-INIZCTEOSA-N 426.332 2.451 30 10 IEEE C#CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 780905560 SZYZWPIVWOJLHZ-IRLDBZIGSA-N 427.522 2.338 30 10 IEEE C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 781395482 YAMYOXDVYGVLOY-GJZGRUSLSA-N 441.509 2.046 30 10 IEEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(CCSC)c1=O 781661607 RPTHZPAPIHQJMK-UHFFFAOYSA-N 436.356 2.071 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)n(C)n1 790001712 QBIMSHIFRHIMEP-SFHVURJKSA-N 446.552 2.067 30 10 IEEE CN(C)C(=O)[C@@H]1CC[C@@H](Cn2c(-c3cnn(C)n3)csc2=Nc2ccccc2C#N)O1 803180369 HJZDMGMGDIAJDJ-KXBFYZLASA-N 437.529 2.085 30 10 IEEE C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 913029741 QXGIKTSOZWEQQN-HNNXBMFYSA-N 446.960 2.284 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1nc(C(=O)OCC)cs1 920243370 PXCPUJWIADJBGN-NRFANRHFSA-N 442.497 2.306 30 10 IEEE N#Cc1cn(CCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c(=O)nc1O 1136575654 FBIPHWFMYCSIFG-UHFFFAOYSA-N 429.864 2.129 30 10 IEEE CCCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)nnn1-c1ccc(C(C)(C)C)cc1 1148392711 FYRYWLOERGPLEA-UHFFFAOYSA-N 449.515 2.081 30 10 IEEE Cc1ccc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cc1S(=O)(=O)NCC#N 1161640578 IFHCQJUSFPOBPC-QFIPXVFZSA-N 439.493 2.047 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 1171799357 NVFZGUSMEBGUOA-SFHVURJKSA-N 440.462 2.444 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] 1178708233 DNUUNJBQMNKVTM-GOSISDBHSA-N 426.477 2.451 30 10 IEEE CCOC(=O)[C@@]1(F)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1CC 1197671600 KOFWMYKTBQDFDM-XGHQBKJUSA-N 436.553 2.070 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286389793 QYRIRFMDWQNQCN-MAUKXSAKSA-N 432.521 2.389 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC(O)CC1 1286469585 JWXFZQQCOUFVIP-NHCUHLMSSA-N 447.624 2.130 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(O)c1 1286495731 DAFDLRKOVFMBIY-LSDHHAIUSA-N 437.591 2.158 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286628692 FFCOWPNDTZKUEJ-KGLIPLIRSA-N 426.930 2.008 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286786303 BCZOWSOTCYSUCF-UHFFFAOYSA-N 436.520 2.200 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(N)=O)CC2)cc1 1286796266 KERJRTUCDAUPCR-LJQANCHMSA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1286799654 YISSMDCBJBCCGZ-XMSQKQJNSA-N 431.512 2.244 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(COC)CC1 1286816051 HSWZCHRTQUMIAX-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1288519972 QVDOGBUNLRYICQ-AWEZNQCLSA-N 427.509 2.051 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1288529946 BZZFMWUKPUYIKV-QGPMSJSTSA-N 425.537 2.477 30 10 IEEE C[C@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)[C@@H]1C 1291334294 WNKRYUPNSOHQCY-GPMSIDNRSA-N 429.546 2.474 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1296619500 CIENUSCPDMVVAG-DHIUTWEWSA-N 444.580 2.463 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)CC1 1296946432 FVIYUTQDAICUNI-UHFFFAOYSA-N 433.434 2.134 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCC 1300578738 OCFKHOCLZGXUQV-DEOSSOPVSA-N 435.576 2.466 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCc2nnc(C)s2)CC1 1300703265 DSFKCTQAVJHCKA-UHFFFAOYSA-N 437.573 2.035 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300991011 ZKLCOHOWVFZCLT-LJQANCHMSA-N 427.553 2.108 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)C 1301424706 NWCNLYQKUBIHOH-OTWHNJEPSA-N 440.610 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCS(=O)(=O)CC2)C1 1301555648 XUGFEFHLTMOZDM-SFHVURJKSA-N 431.562 2.255 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](COCC)C1 1301577361 IMVQWCOIBQADLZ-INIZCTEOSA-N 448.545 2.137 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(F)(F)C1 1301592934 GUTGAVXIQNDFTR-UHFFFAOYSA-N 430.452 2.442 30 10 IEEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N(CCC#N)CCC(C)C)CC1 1301774098 AHYUYNQUIUUGPQ-HXUWFJFHSA-N 431.585 2.060 30 10 IEEE C[S@@](=O)C1(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1302508051 GHWVNJSCGBJJBI-WWOZWPLTSA-N 427.574 2.483 30 10 IEEE C=CCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H](Cc1ccccc1)C(=O)OCC 1307685150 SIDOZHXSTKVFDZ-OAQYLSRUSA-N 430.545 2.451 30 10 IEEE COc1ccccc1Cc1nnc(N2CC=CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1315622325 MUKMTNNFWMVMKA-QURGRASLSA-N 434.500 2.170 30 10 IEEE CN1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1c1ccc(F)cc1 1319486043 QDINQEAIJLZGJP-UXHICEINSA-N 430.505 2.193 30 10 IEEE C=CCO[C@H]1CCN(C(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1342193862 BXEYTWYLFFLVBI-AWEZNQCLSA-N 445.994 2.335 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 1351735200 GXXFUDFVEUGSOD-UHFFFAOYSA-N 427.852 2.393 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccsc1Br 1358981690 UDRUPUBFJZWTNG-UHFFFAOYSA-N 432.347 2.346 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358990228 GOUMPAYPFCQKAW-KRWDZBQOSA-N 445.976 2.343 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1359131588 YTGUKMCMPTZVPQ-CALCHBBNSA-N 438.532 2.398 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1359292766 XBRHNJBUYWAYIB-UHFFFAOYSA-N 426.550 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(F)cc(F)c1 1359333352 VFOXHLJWHHIAFY-OAHLLOKOSA-N 426.489 2.297 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)[C@@H]1CCCc2ccccc21 1439621784 DUZOOWRCQDYNQP-LJQANCHMSA-N 428.510 2.454 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1441014762 JNZKXPVMRLUCJL-ZDUSSCGKSA-N 438.502 2.360 30 10 IEEE O=C(CCS(=O)(=O)c1cccc(Br)c1)NCc1ccc(C(=O)NO)cc1 1467528215 QLRJRQJDMRPEOL-UHFFFAOYSA-N 441.303 2.048 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)s1 1467721922 YCQFZONWVOTTTL-UHFFFAOYSA-N 447.538 2.437 30 10 IEEE C=CCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(=O)OCC 1468126632 WZPLTSLLECKYNT-INIZCTEOSA-N 428.576 2.479 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)cc21 1472162223 FIKCLXVXADDRBK-GOSISDBHSA-N 431.452 2.091 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1472203175 ZBYJBIGEXOKSDJ-CVEARBPZSA-N 439.921 2.070 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCCC2)C[C@H]1O 1503880849 IXUQEKNWARPKSH-RTBURBONSA-N 439.516 2.136 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C1OCCO1 1507512328 GMDPZNPMICLFGN-INIZCTEOSA-N 432.484 2.477 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCC(F)(F)F 1507653913 WSBUZCCCCUGQBT-MRXNPFEDSA-N 431.418 2.291 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN(C)CC(F)(F)F)CC1 1507725149 PTKHQCKGMBFVJJ-UHFFFAOYSA-N 436.482 2.203 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1507727829 LZXUBRCWCIODFP-WIYYLYMNSA-N 428.606 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[S@](=O)C(C)(C)C)CC1 1507735120 KWQBZRXMPLJXNU-HKBQPEDESA-N 441.601 2.458 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCCCO1 1507749211 QFZGMWUPFBMVGW-IBGZPJMESA-N 438.561 2.293 30 10 IEEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1507887936 BBAXKLZEEFLEGO-UHFFFAOYSA-N 438.557 2.310 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNS(C)(=O)=O)CC1 1507894983 SBCUMZRKVYSPAG-UHFFFAOYSA-N 446.577 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1508076493 FUIKUNGQZMLWCG-UHFFFAOYSA-N 430.516 2.232 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)C)CC1 1508135875 ODLIDEJFAVCYTK-UHFFFAOYSA-N 442.589 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C)[C@H](OC)C1 1508143042 CRIWSCAIIIDSJW-VQIMIIECSA-N 436.553 2.470 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC[C@](C)(O)c3ccccc3)CC2)c1C#N 1511660870 AKGYAYYMOIRVCW-QHCPKHFHSA-N 434.548 2.125 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)C1)S(C)(=O)=O 1515705818 DGVOSZLXDKUEFG-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1519038512 VYNUEEAILALSHD-QFIPXVFZSA-N 440.504 2.186 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1521128466 CYMMVDRLIDXLOU-HNNXBMFYSA-N 445.405 2.453 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2cc(=O)n(C)cc2Br)cc(OC)c1OC 1521186484 YYQXIBZSMBHBGD-ZDUSSCGKSA-N 436.262 2.168 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C1CCN(c3oc(C)nc3C#N)CC1)CCS2 1539152673 QEVAFJVDGOQJAZ-TZQQIIETSA-N 432.546 2.405 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539224459 HITKYLZDYFLXGU-YTQUADARSA-N 448.614 2.230 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2)CC1 1539431392 URXOFMJJCDQACN-GBXCKJPGSA-N 439.560 2.153 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(NC(C)=O)cc2)CC1 1539453117 CQBDVHUHYCYITO-UHFFFAOYSA-N 443.555 2.220 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539454659 XBNPDUICLCDYAJ-QFIPXVFZSA-N 428.625 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CC1 1539474521 SAEOLPSMTLOQSE-UHFFFAOYSA-N 431.525 2.287 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1540826323 XALIZWPQJNGQKM-OAQYLSRUSA-N 426.900 2.356 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCOCC2)C1 1540886495 DUUYTLHZUJVSOG-SFHVURJKSA-N 444.532 2.285 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccco2)C1 1540895818 ACHHFAKUHVCNFS-SXKCCIOGSA-N 432.521 2.284 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1540913153 JLCDIYFUMYCRML-UHFFFAOYSA-N 446.577 2.230 30 10 IEEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1541087314 HXAPCOGSKNJJLI-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1541488399 OMPXUVOYNAUVFB-YGCDDZCOSA-N 436.520 2.134 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)n1 1543692325 NZFKRENESCVSIE-OAHLLOKOSA-N 440.978 2.433 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC2(C1)OCCO2 1555559158 ORJANCZTYCUPTD-LJQANCHMSA-N 426.521 2.174 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1556132269 HPSIIRCZQUCQEQ-JONQDZQNSA-N 440.516 2.457 30 10 IEEE C#C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1557240735 UQDMZKQBNFMVHP-QGZVFWFLSA-N 432.542 2.120 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1557978293 SJGJCYOJBNPDLE-UHFFFAOYSA-N 441.507 2.237 30 10 IEEE Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1558465107 WZIJYCQIKOSRFD-WKRCLWGVSA-N 432.463 2.489 30 10 IEEE C#CCn1cc(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)cn1 1568548853 OZKKDBIYSYBWLF-NRFANRHFSA-N 427.461 2.481 30 10 IEEE C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1583966797 ULBRHDPNCMZSMP-FXAWDEMLSA-N 432.565 2.312 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)C2=O)cc1 1584786908 DVBSDNBNDBPNQL-MRXNPFEDSA-N 447.417 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCN(C(C)=O)CC1 1587593400 KDUIMCKDSMRHJN-HNNXBMFYSA-N 432.931 2.360 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588041567 XWYGFVZJBAHKKQ-ZWKOTPCHSA-N 432.546 2.432 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588050904 XNOUJWGGEGBFIB-GFCCVEGCSA-N 433.481 2.153 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4csnn4)cc3)CC2)cc1 1588157670 FLWXHWBVQSKAPT-UHFFFAOYSA-N 439.522 2.223 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1589006124 BZJFQCZBPMSBQB-UHFFFAOYSA-N 429.571 2.197 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1589109712 JBQVKAHSKBNCPR-QFIPXVFZSA-N 443.548 2.004 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1589110440 VRBNWBKEPNOZHP-UHFFFAOYSA-N 441.557 2.175 30 10 IEEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1593806683 CZVSRWFULDTBNU-OAHLLOKOSA-N 434.006 2.421 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCOC)CC1 1594083550 RPLRQDGXBXCTJC-UHFFFAOYSA-N 438.532 2.494 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1594566169 APXHZVSQIUNIFI-NVXWUHKLSA-N 435.598 2.492 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594812749 JNODRNQDBBMPEG-LJQANCHMSA-N 446.596 2.491 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595516842 KMXJTLFDOJLNSH-LPHOPBHVSA-N 444.967 2.058 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1595544637 KWSUBWKPCUSTGQ-PKOBYXMFSA-N 446.596 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2c(F)cc(F)cc2C1 1595788730 IBXKHUYGQVGHIX-UHFFFAOYSA-N 446.483 2.177 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1596821401 COLBQLBELSTSBJ-PMPSAXMXSA-N 430.475 2.379 30 10 IEEE Cc1ccc(S(=O)(=O)NCCn2c(N3CC[C@](F)(C#N)C3)nnc2C(C)(C)C)s1 1612156281 CTBBAMXIQZXGPU-SFHVURJKSA-N 440.570 2.366 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1613594281 FRHKQQRAAQBARM-ZHALLVOQSA-N 431.585 2.046 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)Cc1ccccc1 1614028514 GMWVFFJMMBRTQG-LJQANCHMSA-N 445.575 2.349 30 10 IEEE CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1616385307 CHRCZFTWQIDNRU-VFNWGFHPSA-N 428.468 2.127 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@@H]2C)cc1OC 1619210744 HWZFSXUZXAMUFN-CGTJXYLNSA-N 427.505 2.364 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1619615144 XJBGQZYUMZZENE-CTNGQTDRSA-N 442.539 2.350 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)nc(CO)n3C)c1 1625970156 SGQSSWVYIHZNPV-CLCOLTQESA-N 441.513 2.131 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1OC 1628691682 FUWVMOZVGXPRTA-RDJZCZTQSA-N 426.535 2.307 30 10 IEEE Cc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n(Cc2ccccn2)n1 1629281146 AGYFRLVSIQMTHU-UHFFFAOYSA-N 438.513 2.092 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)NC)ccc2Br)cc1 1636915292 BLECSIGBYTWFTR-UHFFFAOYSA-N 437.315 2.299 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNc2ccc(C#N)cn2)CC2(CCOCC2)C1 1637802092 FNYFCVOUKQQRTR-KRWDZBQOSA-N 429.521 2.288 30 10 IEEE CCOC(=O)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cnn(CCC#N)c1C 1637959690 ANLIBFLWWNJURU-QGZVFWFLSA-N 433.509 2.024 30 10 IEEE N#Cc1csc(CNC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)n1 1638703031 GRGSSFQDJBXYPJ-UHFFFAOYSA-N 434.319 2.331 30 10 IEEE COC(=O)c1cnc([C@H]2CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)s1 1641321385 XUAHASILDOTYIV-INIZCTEOSA-N 447.538 2.122 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN([S@@](C)(=N)=O)CC1 1644938157 UVJYUVPXWLVZNY-FZEVHQGJSA-N 447.561 2.128 30 10 IEEE C#CCOCCN(C)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1648264727 RKXHFNOBFTYEIC-JOCHJYFZSA-N 426.538 2.219 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C)CCC2)c1 1649670995 SMNHHHMRJGYMLV-QGZVFWFLSA-N 444.561 2.114 30 10 IEEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cc1 1651547126 QURCDTVDUKLAMJ-UHFFFAOYSA-N 447.492 2.015 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1=O 1671220320 QFXLMBNNQYTLGO-CYBMUJFWSA-N 444.229 2.450 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1681194165 PIALRTPFJROQGY-SJORKVTESA-N 442.438 2.194 30 10 IEEE COc1cc([C@@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OCCC(C)C 1682270128 FVRWSEKSBJWPFC-OAHLLOKOSA-N 443.504 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1689825633 ABJYTXOLRKLABP-UONOGXRCSA-N 441.504 2.304 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1689925895 DAPZIAFSPONELS-KRWDZBQOSA-N 447.543 2.051 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689982304 KNFNEHSSIVOKBZ-UYAOXDASSA-N 442.541 2.273 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1689987824 CSAQDGDJXNDRNO-QGZVFWFLSA-N 441.557 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccsc1 1690034446 IGLFRBQHKBDDKA-YADHBBJMSA-N 428.558 2.362 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@](C)=O)CC1 1690034482 JIKUEBVKTGCPNE-MHZLTWQESA-N 448.390 2.420 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1690132673 WCBMIHSXCNPQGB-UHFFFAOYSA-N 444.543 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@@H]2CCOC2)CC1 1690140335 VGBIGGGXURDCHS-GOSISDBHSA-N 437.544 2.346 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690155554 LJIFXEDFRQESSK-KRWDZBQOSA-N 436.545 2.367 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C[C@@H]1CC 1690670998 NDCHFYHQPHZWPH-MJGOQNOKSA-N 438.580 2.379 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1690672897 HBPXWWKNVOPMJM-QUCCMNQESA-N 425.533 2.328 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690816413 HOPGTSKNWVAYGG-NRFANRHFSA-N 449.559 2.134 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1691008063 DOEONYYGNWHLHF-OAHLLOKOSA-N 431.504 2.099 30 10 IEEE C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1)N(C)C 1692728927 RTCRMDCUBNXGJR-WMZOPIPTSA-N 447.584 2.277 30 10 IEEE Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c(=O)n1C 1693084979 IDGUKLBRRUKGIU-UHFFFAOYSA-N 432.532 2.050 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1698214203 FEFUQPJLCSPGRO-GOSISDBHSA-N 440.548 2.317 30 10 IEEE COCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698225991 HIPLKNRRRFLNOD-FQEVSTJZSA-N 444.967 2.362 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOC(F)(F)F)CCO1 1698494388 VPYKKWWAKZHDPM-CJNGLKHVSA-N 439.394 2.446 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705538477 PWTVUAXFXVUMHO-IBGZPJMESA-N 445.589 2.345 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705569837 KKYJEYJFHDIPTK-ICSRJNTNSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1705580299 HCCTXKRAGPSFHK-UHFFFAOYSA-N 437.463 2.261 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC(=O)N(C)Cc1ccccc1 1705599623 RPPUSPRFMYGIEN-UHFFFAOYSA-N 426.524 2.385 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2SCCc3ccccc32)CC1 1705632018 FPPDVKASPLNJLI-HXUWFJFHSA-N 438.601 2.202 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)F)c2)CC1 1705642398 SHKVIUVCWPHPPS-UHFFFAOYSA-N 428.487 2.142 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC 1705700521 UTOAWUSFBXICIH-OXJNMPFZSA-N 438.532 2.256 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](CC)C1 1705700775 YIRNSRUAWWQNAS-OWSLCNJRSA-N 440.635 2.493 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@](=O)CC)CC1 1705767683 DXODELJBTWPYFY-SSEXGKCCSA-N 429.594 2.377 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2CCCC[C@H]2C1 1705932351 CDXGBOARPYPRAS-IBGZPJMESA-N 445.589 2.229 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705943075 NFQVWVZFZKKYSJ-NRFANRHFSA-N 441.561 2.074 30 10 IEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CC1 1705970102 BGLVLEIDJXHWEL-KRWDZBQOSA-N 438.532 2.212 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1710782589 FSXZJSATMMXKSK-SFHVURJKSA-N 436.520 2.251 30 10 IEEE CSCCCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1712818719 SOEDNHKFCGAVJG-ZZEZOPTASA-N 441.561 2.364 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccco1)N(C)C 1722372800 AVRXDLBFYXECRS-AUSIDOKSSA-N 425.533 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)C2CCCCC2)CC1 1722450269 BNGBNCHTGWAUSF-HSZRJFAPSA-N 431.581 2.112 30 10 IEEE C=C(C)COCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1722536454 OFHOTONKPAKCQM-GOSISDBHSA-N 448.486 2.417 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(C)(=O)=O 1722654461 NXLIEZJJDNKRQJ-GOSISDBHSA-N 434.562 2.418 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1722660505 XDLLWAJVQFSWEM-KRWDZBQOSA-N 449.552 2.038 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC(C)(C)C1 1722693252 IBIQREGKMJQSAJ-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722724315 SZFDVVGUQAHDPY-PKOBYXMFSA-N 445.589 2.088 30 10 IEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1723083664 YWSVPSXSTLSLER-IRXDYDNUSA-N 426.521 2.284 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)N(C)c1ccccc1 1723854295 FBBINBIZVOUBOA-VGOFRKELSA-N 425.512 2.367 30 10 IEEE C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F 1723904491 ZPQNQTNNGCXGFU-CYBMUJFWSA-N 434.426 2.264 30 10 IEEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)cnn1C 1724112675 KSGKMAIVGDNXQE-UHFFFAOYSA-N 444.499 2.405 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)C1 1729764361 BGZVXVQPAREWEY-LJQANCHMSA-N 436.516 2.219 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730478941 DXOGFQPUAVUGAP-SFHVURJKSA-N 433.447 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc2c(c1)C(=O)NCC2 1740683580 AWKSVNLOKNTVCL-UHFFFAOYSA-N 430.512 2.069 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1740691954 DYTLBFNPBLSBJB-DEOSSOPVSA-N 439.560 2.269 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CC2)CC1 1740749903 HDBBWOFSIWANIY-IRXDYDNUSA-N 440.386 2.443 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740887925 GOTDDOSUQHCVEQ-WMZOPIPTSA-N 429.496 2.304 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1740973956 HWEXNOQRCPNPPU-GBESFXJTSA-N 444.532 2.284 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(C)c2)C1 1740979877 GOADATOVEFOCNE-UXHICEINSA-N 425.533 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C1 1740979945 DOZNKOCJGAGZPV-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1741128664 AGPVQBHAPPLRQC-CRAIPNDOSA-N 444.609 2.174 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1741247260 FDFISEODCRQQNT-IPMKNSEASA-N 446.596 2.036 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1748282073 AHPMJTYCHWUQLD-SFHVURJKSA-N 436.564 2.010 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1748747409 HLPGREPUHHROGA-AWEZNQCLSA-N 438.454 2.492 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCS1(=O)=O 1748777701 WXQTYAGMLZDULR-UHFFFAOYSA-N 428.345 2.357 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1748847524 UUJDSEPTQBLRMN-NRFANRHFSA-N 440.569 2.250 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)Oc1ccccc1F 1748847867 XZEZNDHGLKCFFD-MSOLQXFVSA-N 444.532 2.250 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nncn2C)CC1 1748982705 ATZAWZQJIRFKHM-UHFFFAOYSA-N 431.331 2.184 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc3O2)CC1 1749329161 HMLNTMUABRKQKN-NVXWUHKLSA-N 447.561 2.131 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1749458340 ZTHIMMNUNYKLPK-AWEZNQCLSA-N 434.484 2.472 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1749594613 ODGBZUBGTZYFTD-GOSISDBHSA-N 429.546 2.280 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749672038 OCUNXOJCHVMQFW-IBGZPJMESA-N 433.560 2.282 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(N(C)C(C)=O)CC1 1749676814 FMBGNGANBUDLLD-UHFFFAOYSA-N 449.559 2.030 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)C2CCCCC2)C1 1749706917 RTBQXDRUVXGPLD-SFHVURJKSA-N 425.537 2.308 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749733795 CMTNIVLVOOTNSI-UWJYYQICSA-N 440.610 2.242 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1Cc1ccc(C#N)o1 1749919126 BOZHVVWMSYGOSL-ZLPCBKJTSA-N 444.536 2.399 30 10 IEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1750204651 GCBYXDJWYQBHMO-IBGZPJMESA-N 429.546 2.114 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCCCO)C1 1750380226 MNEFAOXLEQOZTI-FQEVSTJZSA-N 433.509 2.274 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1750578811 DHKZWSHYWHHESM-WIYYLYMNSA-N 431.562 2.237 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)c2occc2C)n1 1751623122 FDJPAAWJZGGHKO-KRWDZBQOSA-N 435.488 2.099 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1N(C)C 1760112942 NYQCMZZJFKOIHS-SFHVURJKSA-N 445.575 2.419 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760126705 GWHIDFVBYYCADB-SLHNCBLASA-N 433.597 2.348 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760146056 AKVVVYUCNAJEQV-CQSZACIVSA-N 440.367 2.083 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760193004 QVFIMYFRYIZPRZ-GOSISDBHSA-N 442.564 2.232 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760296045 YEZOZKBLRMQJIR-YZZKKUAISA-N 425.508 2.257 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(N)=O)c1 1760297536 YKJIGNJWVUQPKJ-XMMPIXPASA-N 447.543 2.044 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760518077 IDPHQDSDOAVEMJ-FQEVSTJZSA-N 448.886 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760557848 XOVFLCKWIXRQBW-QGZVFWFLSA-N 435.594 2.018 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1760582676 NZPAMXNBBWEVTB-ICSRJNTNSA-N 449.559 2.036 30 10 IEEE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1760621449 HFNHGFWHBVUGCO-RTBURBONSA-N 426.521 2.378 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1760743127 JXBMIOFROROEGS-VGVBMJIYSA-N 428.537 2.323 30 10 IEEE CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1760880883 KWNBHGMWGHPYSR-IXDOHACOSA-N 434.541 2.408 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)N1CCCCC1 1764908891 AWUVDSMRVWFBPG-UHFFFAOYSA-N 439.612 2.345 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(Cl)c(OC)c2)CCOC1 1765924647 WZAYIQSZBAPZSF-IERDGZPVSA-N 447.923 2.369 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1768076772 CJJAMKIQEMWGCU-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2occc2C)CC1 1769149925 BLBROJDFIBHFOF-UHFFFAOYSA-N 434.500 2.498 30 10 IEEE CNC(=O)c1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)c1 1769178826 BKIKREWYUIPXCX-HSZRJFAPSA-N 437.548 2.149 30 10 IEEE CN1CCC(N(C)C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851177002 FHZDUSNRQPIMNG-QFIPXVFZSA-N 440.569 2.000 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c(C#N)cnn1-c1ccc(C)cc1 1851189095 VIKKSFIGWVCBKN-UHFFFAOYSA-N 433.472 2.078 30 10 IEEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)O[C@H]2COCC2(F)F)cc1 1851621211 XGIHXVLPIIWTTK-MSOLQXFVSA-N 436.436 2.025 30 10 IEEE O=C(c1cccc(CN2CCOCC2)c1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851929614 DGXBWHWGHAIVCB-UHFFFAOYSA-N 433.452 2.393 30 10 IEEE CCS(=O)(=O)C1CN(C(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)C1 1852195820 BAGHCTSIDCPAIE-OAQYLSRUSA-N 437.521 2.291 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2=O)CC1 1853735405 SCCRLRVXHMDAMN-LPHOPBHVSA-N 428.920 2.446 30 10 IEEE Cc1cscc1C(=O)N1CC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853743417 MUHLCAKRBCQPMJ-IBGZPJMESA-N 428.558 2.272 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H](F)CC2CC3(CCC3)C2)C(=O)C12CCCC2 1854418829 LRHROXWHDXSQBP-INIZCTEOSA-N 425.526 2.132 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 1870149299 JAXSITXOMSMXLW-KRWDZBQOSA-N 430.468 2.443 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1O 1874278486 SZZXHOBSZFGCPC-MNUWJXFPSA-N 431.518 2.245 30 10 IEEE COc1cc([N+](=O)[O-])cc(/C=N/n2c(S)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 1874566236 OWCUHJWLSVJHHN-YTTILGKYSA-N 434.478 2.186 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060623819 QZEYFIUBVPDPBF-UKRRQHHQSA-N 432.330 2.408 30 10 IEEE C[C@H](C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1)N1CC(NC(=O)OC(C)(C)C)C1 2068024080 ICISDFATNXMPIO-OAHLLOKOSA-N 435.374 2.374 30 10 IEEE C=C[C@@]1(COc2ncc(I)cc2Br)COCCN1 2079136653 YFNBZWAIGBHUTO-LBPRGKRZSA-N 425.064 2.372 30 10 IEEE C=CCn1ncc(N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106030680 OVUGPCYSEBHTAG-LBPRGKRZSA-N 429.315 2.240 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539195 RUDSMJFJIKDSAA-UHFFFAOYSA-N 447.385 2.059 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243435699 VOUCHQYHQIXHPR-CABCVRRESA-N 430.376 2.397 30 10 IEEE CN(CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)Cc1ccccc1 2247880942 NZYLGCZNXNTGPD-UHFFFAOYSA-N 430.379 2.396 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629946 CSQIGYJQYNEAMW-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE Cn1ncc(C(=O)N2[C@H]3CC[C@@H](C3)N2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829559 RBMINCUBOSSJJG-KBPBESRZSA-N 432.330 2.248 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1COc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021106 HFCFREKJSRLQIT-KSSFIOAISA-N 434.342 2.487 30 10 IEEE C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256623631 GFWBZYOZYIIPKR-YOEHRIQHSA-N 434.342 2.049 30 10 IEEE C[C@@H](C#N)N1CCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2256777041 ZYHZPHZONCAIEN-IBGZPJMESA-N 442.560 2.497 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2259933862 PIQAWIBTRKVWNW-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267180607 GQDIOPKQQVUVFE-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2267185127 ZQQIOJJPUDPTCD-SHTZXODSSA-N 448.373 2.285 30 10 IEEE CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185753 ZYWHQSOARMMBRS-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267266554 DQNACPNZNFBWQD-IAGOWNOFSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@H]21 2267483271 PZKWYWVBAGPKHK-HZPDHXFCSA-N 448.325 2.039 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)n1 2267503732 IJUVVGXWPJCBLJ-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267525020 YOHWDUNTNPZYAY-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2267562677 FWGMLAJEIDWVMN-ZWKOTPCHSA-N 447.385 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267579924 ABJZALZVBRUNOB-INIZCTEOSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2331228989 JCCFICGMJSROIM-BPUTZDHNSA-N 444.341 2.360 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337193152 BWSTVJOHVTZFKJ-CABCVRRESA-N 448.373 2.095 30 10 IEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2365212102 QJTKCYQWKIPQEQ-KNKQGSTJSA-N 436.574 2.217 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(C/C(O)=N/S(=O)(=O)c3ccc(C)cc3)C2=O)cc1C 96545783 WJIDIDQTGGDKSM-NRFANRHFSA-N 445.497 2.424 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)cc1 96567129 DNACFMRZSFVUPT-XMMPIXPASA-N 437.496 2.473 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 444725394 GRGDXIJZYILQSY-HQRMLTQVSA-N 442.457 2.170 30 10 IEEE Cn1cc([C@@H](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C(F)(F)F)cn1 447374641 QHSACKAKOODTEP-WMLDXEAASA-N 426.468 2.084 30 10 IEEE CCOC(=O)CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 447857916 GKUYJDLVSRWYRI-UHFFFAOYSA-N 447.557 2.341 30 10 IEEE COc1cc(CNC(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1C#N 464703508 ZLFAQYAXGYVACI-FGTMMUONSA-N 429.542 2.480 30 10 IEEE CCCOc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 480307643 DNPPBCRCQHCKSS-OAHLLOKOSA-N 431.514 2.339 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(CCO)[C@@H]2CCO[C@@H]2C)cc1 483298897 WRKFMFOMJGMLIW-DYESRHJHSA-N 426.517 2.385 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)c1 487179632 IZWAKFCMLFPVLI-VXKWHMMOSA-N 434.496 2.451 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2ccccc2C#N)CC1 505709983 ZRZBXWFGRFINHR-UHFFFAOYSA-N 428.496 2.293 30 10 IEEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Oc1ccccc1 506142942 JIUHJJHGUYAMGF-QGZVFWFLSA-N 428.514 2.042 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC=C)CC1 508812166 VOGWHAGGFBYGMC-QGZVFWFLSA-N 428.512 2.167 30 10 IEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2ncccc2C#N)CC1 508914428 TYIICQXJVWNNHZ-UHFFFAOYSA-N 439.483 2.373 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 512421000 PAYKNUNLDLOPQA-HSZRJFAPSA-N 438.597 2.224 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCCO2)c1=O 530317859 ZVROABYKOGOOFD-GOSISDBHSA-N 440.569 2.129 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3cnn(-c4cnc5ccccc5n4)c3)CC2)n1 546222704 IUXODYMWYRRAQR-UHFFFAOYSA-N 425.456 2.436 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 549691304 BSJYHSQIDVFFCY-SIKLNZKXSA-N 436.520 2.271 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 562265510 BKDJOZACTXAMBP-JOCHJYFZSA-N 438.488 2.064 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1cccc(F)c1)N1C(=O)c2ccccc2C1=O 585830892 IUIKWRRXYZQMEE-OJVITFDXSA-N 449.482 2.187 30 10 IEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cccc(C)n3)N2N1 588226736 WCFCCFALMMDKBP-QGZVFWFLSA-N 442.342 2.215 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@@H]1CCOC1 676727291 SPIJIHKEJUDWIS-LBPRGKRZSA-N 448.466 2.236 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OC 730086766 QZNXJAJRDCZUOB-UXHICEINSA-N 433.549 2.282 30 10 IEEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730140963 INYWLKWNGQVESI-INIZCTEOSA-N 426.970 2.376 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1)c1ccc(C#N)cc1 740250711 PYHBADBJRFCTHO-IFXJQAMLSA-N 431.466 2.434 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 748410779 QKMGYBSLFWSCMD-OALUTQOASA-N 434.514 2.091 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 748483575 XDHXNBVJUVSLRW-UHFFFAOYSA-N 448.522 2.428 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 749119956 ARRGLUJQVITUEA-SCTDSRPQSA-N 433.574 2.415 30 10 IEEE COc1ccccc1CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 760366731 BJVHWJVQDZSOMO-UHFFFAOYSA-N 436.511 2.032 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2csc(Cl)n2)CC1 781217006 AFHXPHOQBUIZNG-UHFFFAOYSA-N 447.860 2.422 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@@H]2CCOC2)C1=O)NC1CC1 784127075 UIARLVXOHDQYDF-ACJLOTCBSA-N 431.514 2.442 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](O)c2ccc(C#N)cc2)C1=O 789887805 DYDCHSQWIHSVFW-PCCBWWKXSA-N 449.507 2.392 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NCc3cnn(-c4ccccc4)c3)CC2)o1 796281456 XKIOERMXGKEMGS-UHFFFAOYSA-N 448.483 2.116 30 10 IEEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 798364069 IKLSUCAQQKNUSO-LPHOPBHVSA-N 444.557 2.073 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 810738656 ZAJNNZOLBRUJIO-IPKRGXIZSA-N 448.519 2.044 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 813813979 DLXPTNVJJHUVMJ-RDJZCZTQSA-N 432.500 2.132 30 10 IEEE CSc1cccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c1 916775142 IKGLTEPOJDGVAM-MRXNPFEDSA-N 429.523 2.279 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 924942492 WMTRMKOUBMYHBO-PSCUFVCCSA-N 446.548 2.446 30 10 IEEE Cn1cc(C=NNc2nc(SCC(=O)Nc3cccc(Br)c3)n[nH]2)cn1 1084333058 UGMQBQAQVYLSTH-UHFFFAOYSA-N 435.311 2.478 30 10 IEEE C[C@]1(C#N)CN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CCO1 1134270170 BFXIXYOVQACXIN-INIZCTEOSA-N 439.291 2.434 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)c1 1137524819 UKDQHXYDENRGFH-UHFFFAOYSA-N 442.371 2.383 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@@H](C#N)C1 1143955008 AXHIJHBDZDGZAN-VVBPWWLESA-N 435.480 2.025 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1157495382 AKTWPONZFWGRHC-IRXDYDNUSA-N 431.599 2.366 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)c1 1170446575 ISSDRIOIGMXTNZ-MRXNPFEDSA-N 435.908 2.399 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C2 1179869687 HSUXCDJKOWYXIL-UHFFFAOYSA-N 444.460 2.084 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccn(CCN3CCNC3=O)n2)cc1 1199059648 WYEXTKLOJKSMJN-UHFFFAOYSA-N 437.504 2.367 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1286288513 HJDKGFZZHJKJEA-ZWKOTPCHSA-N 448.575 2.078 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397661 UAFHEEVSPDVOER-RCCFBDPRSA-N 444.557 2.463 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286474227 AREGMPPCTVHMOZ-AZUAARDMSA-N 429.952 2.405 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286476597 ZYCOVZLIGKXOCN-UHFFFAOYSA-N 449.559 2.439 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N3CCOCC3)CC2)CC1 1286652263 CVGRTNLQKBAPHQ-UHFFFAOYSA-N 430.597 2.464 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286712395 XXPZQWFCNHYJBS-IRXDYDNUSA-N 432.525 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286783585 VXKSWWYOJNSZQT-SFHVURJKSA-N 442.951 2.492 30 10 IEEE CC(C)(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1287042457 OHBIKPJKFMYMFI-UHFFFAOYSA-N 434.552 2.204 30 10 IEEE CC1=C(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)[C@H](C)n2nnnc2N1C 1297321687 HECQLQSVMPMEOP-WMLDXEAASA-N 426.912 2.020 30 10 IEEE CN(Cc1ccoc1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298420804 YEOWRCFWEWBUBL-KDDVOAFDSA-N 426.477 2.276 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1299183940 AEAVAEGVPCPEKX-CVDCTZTESA-N 438.532 2.117 30 10 IEEE CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1300020204 DTVZADLCQQMFSS-FQEVSTJZSA-N 426.542 2.136 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(COC)CCC1 1300441326 KUDJUNZHBCZRPT-UHFFFAOYSA-N 445.589 2.472 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(OC)c(OC)c1OC 1300471477 CZQQHTWAMPMFCL-UHFFFAOYSA-N 438.532 2.478 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300488234 CAZVHQHASLXLEN-RBUKOAKNSA-N 428.558 2.387 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1300489345 MKTVIFFOSTVHDH-MRXNPFEDSA-N 442.570 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300548446 JDSYBWBOCCIMCN-OYRHEFFESA-N 446.555 2.301 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C(C)C 1300578249 ACVPCNIYIZZMGA-FQEVSTJZSA-N 432.528 2.326 30 10 IEEE COc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(C#N)o1 1300632076 BROMIUTUJCPIFQ-OAHLLOKOSA-N 436.472 2.046 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC(=O)N2CCCCC2)CC1 1300718961 IYHVZDUXDOMKSI-UHFFFAOYSA-N 448.571 2.314 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1301272144 CDHNWYRELYVKBS-FZKQIMNGSA-N 425.580 2.060 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCOCC2)C1 1301544294 WFCOKOLAYKJYMY-WIYYLYMNSA-N 427.549 2.456 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1301609992 QXVHIFQRTQXSGX-QGZVFWFLSA-N 445.568 2.399 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)C1 1301686449 HHLQGZNITPLBSD-DOTOQJQBSA-N 443.577 2.124 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1301973426 FYKBYFFMGKRGKJ-QGZVFWFLSA-N 435.507 2.358 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1303047376 STGFQFAWRNFJNO-LLVKDONJSA-N 428.860 2.471 30 10 IEEE CCOC(=O)Cc1cccc(N(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 1305292920 SGMYCMAJQWBKAY-UHFFFAOYSA-N 429.498 2.179 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(c3ncnn3C)CC2)n(C2CCCC2)c1C 1308049604 AUXUUCWBZIOBCD-UHFFFAOYSA-N 425.537 2.142 30 10 IEEE CCc1ccc([C@@H](NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2cccs2)cc1 1308127441 AALYBPBOFOFLEU-VLCRHTCISA-N 443.594 2.386 30 10 IEEE C#C[C@H](NC(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccc(Br)cc1 1310355547 MSVAEPGACGPKTC-SFHVURJKSA-N 432.322 2.474 30 10 IEEE C#CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1313002503 OSNQREFKZMYJIO-LJAQVGFWSA-N 439.500 2.342 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)C1 1314976513 HEBVOQOYSNMFKI-QFIPXVFZSA-N 426.521 2.116 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)CC1=O 1316114996 HESGVCDZUZZSCT-IBGZPJMESA-N 437.548 2.274 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1316531268 RAGQLQPCXQBYQQ-OFNKIYASSA-N 437.523 2.496 30 10 IEEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)C1 1337649550 KGUSAAVDFOFOSB-AWEZNQCLSA-N 429.336 2.324 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)cc1 1351102794 KOHWHUNFRGKLNL-UHFFFAOYSA-N 428.493 2.361 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc2c1OCCCO2)[C@@H]1CCS(=O)(=O)C1 1358955382 KWKCDVDAXBIGLC-GOSISDBHSA-N 444.557 2.238 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1c(Cl)cccc1OC(F)F 1438534878 DYJBBNHCNRLBHK-UHFFFAOYSA-N 429.832 2.296 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 1441769911 ZFSIFTIUDTVTSQ-BWKNWUBXSA-N 449.507 2.227 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)n[nH]2)c1C 1443518448 PMKWLIWSFUETQV-UHFFFAOYSA-N 443.529 2.288 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1csc(I)n1 1457619998 PQKZGBOLTXGADK-UHFFFAOYSA-N 445.242 2.287 30 10 IEEE COc1cc(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc(OC)c1O 1458001720 GXUUAFWLOXFJNG-UHFFFAOYSA-N 428.441 2.246 30 10 IEEE C#C[C@](C)(CC)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1463739188 ZSKUMYPJWZFKHL-OAHLLOKOSA-N 435.283 2.466 30 10 IEEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CC[C@@](O)(CC#N)C2)c1 1469405629 MSLPDSUZVKTULL-NRFANRHFSA-N 430.482 2.344 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1472191770 LOJTUOXQLHBFDU-XXHMAFKTSA-N 433.530 2.283 30 10 IEEE C#Cc1cccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 1473151663 QNHVTCBUJCMLEZ-UHFFFAOYSA-N 437.565 2.126 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1475135791 IFEVYYIRQGRDHQ-KRWDZBQOSA-N 431.518 2.089 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1507695121 VLUNRGSCKVDAME-UHFFFAOYSA-N 436.560 2.390 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CN(C)C1=O 1507702620 VSWONNZLGHBIIJ-WZONZLPQSA-N 425.508 2.429 30 10 IEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507824567 DEYXELNFPXKUSI-UHFFFAOYSA-N 439.520 2.381 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1507915090 STFFNZRRQMIZEG-ROUUACIJSA-N 427.553 2.242 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1508017049 HRSIQRVOQWEMDN-LEWJYISDSA-N 436.560 2.023 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2(C(N)=O)CCOCC2)C1 1508130844 XEYJIVFTABOUDZ-FQEVSTJZSA-N 439.560 2.241 30 10 IEEE CC(C)CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1509298948 RGPMQQKZKZIFJU-XUTLUUPISA-N 438.536 2.220 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1513558805 AZFFJYJQWOKNNJ-FBBFKJPPSA-N 435.532 2.417 30 10 IEEE CCn1cnnc1Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1515799576 VUWMSRALKZDUIH-HRCADAONSA-N 443.556 2.447 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1COCCO1 1516589357 HRJSBGRHMPZXKF-QGZVFWFLSA-N 446.939 2.082 30 10 IEEE Cn1cnnc1[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCO 1517404867 PCRVKJFAPLQRDA-IBGZPJMESA-N 436.520 2.361 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCOC2)cc(OC)c1OC 1517973833 JQYTZWBLMVNXLL-NVXWUHKLSA-N 443.504 2.126 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1519024523 NWVYYKMWAYXLBD-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE COC(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1OC 1527455463 XBTZJDOLDLIQMC-KRWDZBQOSA-N 436.424 2.197 30 10 IEEE CCOC(=O)c1ccc(I)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 1532448161 DRNSDFPQFOYFPM-SECBINFHSA-N 439.213 2.131 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1 1534232359 SVPYARQLDBIOGF-SFHVURJKSA-N 429.498 2.049 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ncc(C(=O)OC)s2)ccc1F 1536891635 VDQMLVOYTDIKII-SNVBAGLBSA-N 427.479 2.024 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCS(=O)(=O)C1 1539279210 YGSWRWPTPXOPBA-IBGZPJMESA-N 440.569 2.317 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)c2ccccn2)CC1 1539477745 XLMCHHHISWYLIQ-UHFFFAOYSA-N 446.559 2.017 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539705103 OYKMNFHISCEPQL-QHAWAJNXSA-N 444.624 2.375 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539759356 RQNKFAWORHECSL-HSZRJFAPSA-N 441.532 2.317 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CC1 1539887322 BOTQNWFSGGSGAK-GOSISDBHSA-N 429.546 2.106 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1540072310 KNAXOSLXCDNLCY-RTBURBONSA-N 448.593 2.068 30 10 IEEE CN(C)[C@@H]1CC[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@H]2C1 1540160123 GCNQKLXELPJHFQ-PWRODBHTSA-N 444.601 2.148 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)C1 1541993806 DMJJZWKRKMRYLE-DEOSSOPVSA-N 449.559 2.357 30 10 IEEE COc1cc(NS(C)(=O)=O)c(C2=C(O)CC(C)(C)CC2=O)cc1NS(C)(=O)=O 1542993209 VGCSFOKMBPJBPU-UHFFFAOYSA-N 432.520 2.096 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554235336 MHMLDICYXOFPMZ-KHOFPDMRSA-N 442.564 2.400 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1555795578 QUWLFSLLRMYXPS-IBGZPJMESA-N 440.529 2.180 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)cc1 1561144467 YEDCJYJLKXHODA-UHFFFAOYSA-N 432.567 2.316 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@H]2C)CC1 1568995639 XVKXOFQXOZJEJJ-ZIAGYGMSSA-N 429.473 2.217 30 10 IEEE CNC(=O)N(C)c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1583569969 QHKGDYLJGQJICM-GOSISDBHSA-N 434.456 2.178 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1583700252 KIMKWCULZOVMNB-GOSISDBHSA-N 435.567 2.422 30 10 IEEE CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1584925134 YSSNQRKLRRPJCN-UHFFFAOYSA-N 431.489 2.487 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CC(C)(C)C#N)c1 1585869274 DBPZURPETXGFFC-UHFFFAOYSA-N 435.594 2.347 30 10 IEEE CN1CCn2ncc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c2S1(=O)=O 1586560051 CYTMPDZTQCEZDQ-UHFFFAOYSA-N 427.511 2.047 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OCC)c1 1588228121 BEWNVNMSDNFOGN-HXUWFJFHSA-N 440.569 2.285 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1N1CCOCC1 1588262189 DPSHJVUEXBETGE-UHFFFAOYSA-N 445.527 2.270 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)[C@H](C)CC 1588309884 HCZQEHRDVNBASN-IIBYNOLFSA-N 432.594 2.495 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1593740939 HFGZJZVEMQKXJT-KRWDZBQOSA-N 446.502 2.427 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)c1 1596870643 KUTZXKUGDJPOID-LJQANCHMSA-N 427.501 2.139 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CCC1 1611846858 BJKYISCNGQFZLE-CQSZACIVSA-N 431.566 2.058 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](CC)N1CCCC1 1616824440 JNVBMAGCCBQHHD-GOSISDBHSA-N 425.537 2.224 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2(C)C)CCO1 1618689419 KJWDJKAXKPLFES-MSOLQXFVSA-N 440.573 2.300 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1618788284 IKSRJMNXWPEUNP-UHFFFAOYSA-N 434.422 2.301 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1619537835 PMSGJHHTBBKZSS-OALUTQOASA-N 425.537 2.046 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCCOC4)C3)n2CC(=O)NCC(F)F)c1 1620349014 LAERDEAWHMLQBB-OAQYLSRUSA-N 430.459 2.205 30 10 IEEE C#CCNC(=O)Cc1cc(I)cc(I)c1 1623979457 YLGJKVZTNKQFPK-UHFFFAOYSA-N 425.007 2.188 30 10 IEEE CC(C)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H](C)C1=O 1625721463 SATZLWYZLLBYRR-OQXXTQHASA-N 432.565 2.489 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC3CCC(C#N)CC3)CS(=O)(=O)[C@H]2C1 1626056406 BJBZOHOFGZNPGF-YOHUBWIESA-N 439.578 2.103 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)CC2)cc1 1629485201 JSAFPCIXLREOCI-PMACEKPBSA-N 440.481 2.103 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c[nH]nc3Br)CC2)cc1 1631176988 DXARWADRMBNYRM-UHFFFAOYSA-N 438.307 2.083 30 10 IEEE Cn1cc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(O)nc1=O 1632742744 BAGDIQLYHXTNRJ-UHFFFAOYSA-N 449.492 2.018 30 10 IEEE CC(C)N1CCC(O)(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1636160095 NMRXERDKYKSKLY-UHFFFAOYSA-N 435.366 2.108 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)C(=O)OC 1638826965 PCCKVLZGNVWUCS-GOSISDBHSA-N 430.482 2.099 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1643499403 ROIXLQFMFXTXCP-QFIPXVFZSA-N 440.525 2.037 30 10 IEEE COCc1nnc2n1CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C2 1643718209 CABQXIADTBQHHI-UHFFFAOYSA-N 437.479 2.297 30 10 IEEE COC(=O)c1sc2c(c1Br)CN(CC(=O)N(CCC#N)CCC#N)C2 1647888884 NVGRFOIAHHQMKR-UHFFFAOYSA-N 425.308 2.269 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@](C)(CC(=O)OC)c3cccnc3)ccc2c1=O 1649156769 QXEMGIBXWIMLMA-QFIPXVFZSA-N 438.509 2.475 30 10 IEEE C#CCC1(O)CCN(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)CC1 1650951800 RTGZMHIRNUUGQF-UHFFFAOYSA-N 437.525 2.450 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C(=O)OCC 1665221468 GVRULKHBNATHKU-OAHLLOKOSA-N 432.564 2.160 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1667520623 GDLDVKQNQFZKLZ-OAQYLSRUSA-N 432.528 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1689847343 XRSVFKUCBVWKAM-TZIWHRDSSA-N 431.544 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccc(F)cc1 1690033035 OSKZGWCSAOKGMI-SJORKVTESA-N 431.537 2.294 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1690086834 ABIIKUHHTFYLMU-CALCHBBNSA-N 432.569 2.423 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)O 1690106523 ZCKTZILMPZLJSG-UHFFFAOYSA-N 437.338 2.477 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCOC1 1690169969 VDKPTJJHCINRMQ-INIZCTEOSA-N 448.618 2.077 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)CC1 1690424674 WQIYPSWIZMJXAV-UHFFFAOYSA-N 426.550 2.092 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690663633 CFCHNALWSBDRJU-QVKFZJNVSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690668745 HTPTUJLRZYNQNU-UHFFFAOYSA-N 441.536 2.008 30 10 IEEE CC1(C)CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1692867502 GOOVYRXXRJPGAH-MSUUIHNZSA-N 430.553 2.496 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1694030856 QLDDIUQFWCQFFG-FETPVOERSA-N 429.569 2.237 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1694547013 ARVRHCKHUSJBTK-OAQYLSRUSA-N 446.577 2.099 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(C)CN(C)C1=O 1698058167 BJYPMZWHOXGPPK-HSZRJFAPSA-N 448.531 2.180 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1)C1CC1 1698305659 FTBYRFSIUROXKX-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1705537117 VHNQDHGCWSLZIR-XMMPIXPASA-N 435.551 2.498 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705570300 OFGQEHTZKJCJIL-LJQANCHMSA-N 444.605 2.036 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCCNS(C)(=O)=O 1705620091 LEZHBGXFLGIIFX-LJQANCHMSA-N 449.552 2.238 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)SC 1705624139 RHFDMGZDONOSBD-UHFFFAOYSA-N 426.550 2.148 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705660657 BLCXQJUAYLUQLP-CTNGQTDRSA-N 446.665 2.222 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1 1705693491 HFWHDCWPLNLBSW-PKOBYXMFSA-N 436.520 2.277 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705735227 LZKMOZIEPLUAGU-UXHICEINSA-N 425.533 2.270 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705748114 CKXRKRWPUWMBPF-AWEZNQCLSA-N 426.926 2.338 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1705843547 IDWOBCRULXXIFZ-MRXNPFEDSA-N 430.509 2.176 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1705890698 CQTNFEATLPUCHS-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(S(C)(=O)=O)CC1 1705896787 XZSWHGBRNXLZRE-UHFFFAOYSA-N 443.529 2.007 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[S@@](=O)C(C)(C)C)C1 1705916163 IOTUIEYRFUQBOS-XHEIURJNSA-N 440.610 2.259 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCOC2)C1 1705929453 QYTBCIPCTNBPGF-IRXDYDNUSA-N 431.562 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@](C)(C#N)C1 1705937118 JGSXIANMKZVVCU-LJQANCHMSA-N 434.591 2.365 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1706702035 JBYLITYPCZGVCH-FQEVSTJZSA-N 440.548 2.065 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCN(C(C)C)CC1 1722344609 ZMWUBEFBCNNYSK-UHFFFAOYSA-N 435.370 2.340 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722358796 LMJBSFXGHSBEOC-QGZVFWFLSA-N 432.546 2.094 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722359209 JOTPNVWINKQRSR-NJAFHUGGSA-N 444.557 2.245 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722367498 NMEZTDUKMAXUNF-OALUTQOASA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(Cc2ccc(F)cc2)CC1 1722373059 IEXCVOKYFPKKOK-QGZVFWFLSA-N 443.548 2.123 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722455032 ITNNZVVNXIYATG-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1722493586 IXQZPDOVIQNNQP-GJZGRUSLSA-N 445.486 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1C(C)(C)C 1722502204 RSEDMAYJRYKUSZ-BBWFWOEESA-N 425.599 2.075 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722608621 IQBAXWKXVYYKNO-APWZRJJASA-N 444.561 2.304 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1722659368 UNKIAXRJSOZLOQ-PMACEKPBSA-N 446.573 2.178 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 1722713607 IFQXZXFITTVSLG-BRWVUGGUSA-N 448.568 2.314 30 10 IEEE CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1722879501 HXSLAYAOOJYUQI-MRXNPFEDSA-N 426.521 2.380 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1723419284 RLLLICXNJMUJKX-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE COCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1730631654 BMPYCBONXVUGAO-NHCUHLMSSA-N 446.577 2.187 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740566682 JDOLSNYDTZFXOG-LJQANCHMSA-N 437.548 2.030 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)C(C)(C)C 1740664374 NSCXIUCSVZCJEI-MUUNZHRXSA-N 436.603 2.355 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN1CCSCC1 1740675632 FWDMFACDJHGQEP-UHFFFAOYSA-N 444.580 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCCC2)CC1 1740704000 IEDNQRAGIJEKCG-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1740759661 KDJSOZSDZWDVIM-WIYYLYMNSA-N 448.589 2.340 30 10 IEEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1740876308 GUYPYFVKVRANGV-UHFFFAOYSA-N 425.505 2.195 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccco2)C1 1740963027 XFQMWLSTECVZDK-QGZVFWFLSA-N 428.518 2.107 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1741005835 STLIBWMSUBOOQI-QGZVFWFLSA-N 432.594 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CC2)C1 1741213298 AMNUIHFVIFQGRB-FOIQADDNSA-N 434.516 2.359 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1741793022 SFWGTGJPTXEPEH-IELSJNNDSA-N 426.477 2.446 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)N(C)C 1741839695 IBVGTUWMJAHRMO-IBGZPJMESA-N 447.591 2.213 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ncn(-c3ccccc3)n2)CCOC1 1746645843 AJTNMIABDGKSAP-HTAPYJJXSA-N 436.520 2.298 30 10 IEEE CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1747907177 YATLZGBYDYYSOH-MRXNPFEDSA-N 437.529 2.143 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ncn(C)n1 1748949796 BXBKETIAYJQPHS-HNNXBMFYSA-N 425.562 2.394 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)c2)CC1 1748990873 NGKMRCKGWAKUIX-KRWDZBQOSA-N 432.450 2.052 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749232464 LRNFRUMQSNDPHH-SFHVURJKSA-N 428.512 2.157 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749266016 BPIOOSJCIGQBOO-MRXNPFEDSA-N 428.924 2.005 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1749299329 PIEHHKHTKCVZET-MRXNPFEDSA-N 425.459 2.098 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1)C1CC1 1749519048 DUVRZSGHYKYICK-LJQANCHMSA-N 431.562 2.123 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749629917 DOFHEMNJECIRAG-UHFFFAOYSA-N 444.530 2.468 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1749739791 JRQFNHBPFZJNAU-UTKZUKDTSA-N 440.610 2.403 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1750070213 RDEOXZWQCSUDGA-OAHLLOKOSA-N 449.515 2.352 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@@H]2CO)CCO1 1750387152 RRJXUQHAKOYJDD-QZTJIDSGSA-N 428.512 2.050 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCSC)CC1 1760255013 AKSFJPIQPBFYNF-UHFFFAOYSA-N 447.630 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)(F)F)CC1 1760269184 BBQQGIYEBLCTOE-INIZCTEOSA-N 443.470 2.064 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760282687 MPJHXKAYQITDIK-UHFFFAOYSA-N 440.621 2.473 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1760288678 IGACXQDDTBNMEK-XGHQBKJUSA-N 431.562 2.348 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760351093 BZHCWRXUPRIWIF-HTAPYJJXSA-N 435.569 2.173 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCCC2)C1 1760533359 DYWHNYSSQNTDLL-IBGZPJMESA-N 444.580 2.088 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccoc1 1761236246 AZAMLJILFKAMTI-UHFFFAOYSA-N 433.516 2.251 30 10 IEEE Cc1ccccc1[C@H]1C[C@H](n2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1762144151 ALVLDPGZQCEXJA-XSLAGTTESA-N 444.561 2.044 30 10 IEEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1763005488 BXIRFFOFKBEFAF-UHFFFAOYSA-N 446.577 2.293 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCOC(C)(C)C 1763043276 BNYJVLUEZXOGRQ-FUHWJXTLSA-N 440.552 2.321 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1767540347 CNKKFVHVMARPEZ-UHFFFAOYSA-N 440.548 2.424 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)C1 1767710088 CTITWAHDFUVOTD-IBGZPJMESA-N 446.577 2.151 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1769476084 YAWMKKKSASXOMH-OAQYLSRUSA-N 441.532 2.397 30 10 IEEE COC[C@H](C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1770753532 RUTLMLCQPDPODY-NCOADZHNSA-N 434.541 2.060 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCCC2)nnc1N1CCC(CCCO)CC1 1770833586 WHEIGZBLDCSKHU-XDOYNYLZSA-N 442.564 2.451 30 10 IEEE C[S@@](=O)C1(Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CCC1 1771371859 HTAIIXOBAWJJKB-WJOKGBTCSA-N 441.605 2.470 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1c1nn[nH]c1C(=O)ON1C(=O)c2ccccc2C1=O 1772788772 GLYGQQXCLQBMGZ-CYBMUJFWSA-N 427.417 2.245 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1772887388 MDIGOCZYFQCYOC-IBGZPJMESA-N 446.577 2.007 30 10 IEEE CN1CCN(C(=O)c2ccccc2C(=O)Nc2ccc(C#N)nc2Br)CC1 1851116548 XMCNOWQEUBARHM-UHFFFAOYSA-N 428.290 2.356 30 10 IEEE Cc1ccc(-n2c(C)nn([C@@H](C)C(=O)N3CCN(c4ccc(C#N)cc4)CC3)c2=O)cc1 1851996748 IQEDYTMSTJRDBE-SFHVURJKSA-N 430.512 2.432 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1nc(-c2ccccc2)ncc1OC 1852182078 ROPJOBVEASSRQP-KRWDZBQOSA-N 430.530 2.343 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1Cl 1852450687 HYEGXBRRUCCTRT-HOCLYGCPSA-N 442.859 2.332 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1Cc1nnc2n1CCC2 1855751326 MOCXUHCPOKNGKQ-UHFFFAOYSA-N 426.908 2.207 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1(C)C 1856053851 CLKHCPUYYVVOJE-KRWDZBQOSA-N 437.537 2.004 30 10 IEEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4)n3)C(=O)C2)C1 1856831464 AJXRWTYDUILKBI-LJQANCHMSA-N 427.936 2.461 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)F)cc1 1858995574 GTEYUVWWDWISSC-UHFFFAOYSA-N 440.403 2.290 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cc(OC)c(OC)cc1OC 1864869749 STODROMIALBRJN-SFHVURJKSA-N 428.489 2.234 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868782336 HJWBMDGUYAVUSM-CTNGQTDRSA-N 446.617 2.396 30 10 IEEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(NC(C)=O)cc1 1872597300 OKOOIVWRTQDINF-NRFANRHFSA-N 440.525 2.318 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1897268191 OYRLQQQUAFUGLX-HUUCEWRRSA-N 425.526 2.086 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1987824989 HYJHZMPTZKXPLM-HNNXBMFYSA-N 427.542 2.192 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2010150208 IAKUHSYEGKVGFT-QAETUUGQSA-N 439.553 2.074 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060634880 FHLIGCXLHSZEAG-NCOADZHNSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060636246 VVDAFJBEABADDC-UGUYLWEFSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2247777562 OQIRRJGDZDTFRI-UHFFFAOYSA-N 435.355 2.135 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248432897 BXPMNNDWOMHIRA-ZDUSSCGKSA-N 438.359 2.278 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255535548 XBQXNSYABZYCFE-ZSOGYDGISA-N 449.382 2.285 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626476 GOTYUMHRENGMPP-KBPBESRZSA-N 434.346 2.132 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255634434 QWQVHYNXDAERGM-VIKVFOODSA-N 449.382 2.380 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255806843 KYZKHEKZRQZHFT-UHFFFAOYSA-N 449.382 2.381 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@](C)(NC(=O)OC(C)(C)C)C1 2255874828 YPWGBSPTRMRFPL-QFIPXVFZSA-N 433.358 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2256614548 OGWZKSHSCASDEL-ZDUSSCGKSA-N 442.268 2.088 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2267003646 RQIACPBBKHSWPD-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2267092210 MPNLBUZIMUHRCP-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267135285 ASGUMSYWOYTUPM-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267148101 WJFPNBOGSCUBCS-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267161984 JPWZGYJPVBOLKZ-LJQANCHMSA-N 436.365 2.418 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267163836 ZPALVNYZIUMMQG-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 2337303703 KOIAJTZMXWWVKZ-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE COc1[nH]c(=N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2339786368 KLAQZEDZXPNUDB-ZMSDIMECSA-N 445.369 2.479 30 10 IEEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 71530721 BKOCNOBGLKJLNX-ZDUSSCGKSA-N 427.504 2.020 30 10 IEEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccc3c(c2)OCCO3)C(=O)C(=O)N1CCN(C)C 103108845 IPKUMHKOJARVEQ-SADKCHQCSA-N 438.480 2.450 30 10 IEEE C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431216421 CGPFAXGDTWTPOU-CQSZACIVSA-N 445.610 2.109 30 10 IEEE C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1cnn(-c2ncccc2C#N)c1 461286576 YCKABQCWKGNHMB-QHCPKHFHSA-N 441.451 2.076 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1C 466104718 QPXMUOZXDOVHSM-UHFFFAOYSA-N 442.541 2.270 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)n1 471004456 HPCJLENIVLAPSW-UHFFFAOYSA-N 430.486 2.276 30 10 IEEE CS(=O)(=O)NCC1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 482256367 IGJNCFVAGMDMGD-UHFFFAOYSA-N 447.561 2.063 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c(OC)c1OC 488938222 KMHWWJINMQXJKB-UHFFFAOYSA-N 449.504 2.230 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 508825761 LJYXQYFIJALMRD-IEBWSBKVSA-N 431.562 2.099 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 508940329 CPRGLIKAPCPWBZ-LJQANCHMSA-N 446.490 2.197 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(S(=O)(=O)CC)CC1 509010034 GTNZYHLDWLAZIY-OALUTQOASA-N 431.562 2.181 30 10 IEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544639238 BHSNDMUXKYDHQD-UHFFFAOYSA-N 446.488 2.454 30 10 IEEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCCOc1ccc(C#N)cc1 551477873 UCOKUMLTDCOLQW-DEOSSOPVSA-N 432.480 2.442 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 555290329 ALFARLUDNIQIBK-OAHLLOKOSA-N 437.508 2.076 30 10 IEEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(c2nccn(C)c2=O)CC1 558997107 GWTBBZMKNODDNP-UHFFFAOYSA-N 442.527 2.490 30 10 IEEE Cc1nc(=NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n(-c2ccc(C#N)cc2)[nH]1 610233273 XLRXIAMPSYRLCM-LJQANCHMSA-N 446.486 2.428 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)c1F 619696450 LKUGURDTKIMODA-UHFFFAOYSA-N 432.542 2.293 30 10 IEEE C#CCN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)[C@@H]1CCS(=O)(=O)C1 729330403 CNSUNZNKYFEWPM-QWFCFKBJSA-N 446.569 2.117 30 10 IEEE Cc1nccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)n1 730143090 SZZUZKGFLSBTQW-LJQANCHMSA-N 440.573 2.293 30 10 IEEE CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 732410131 XVCULHOGYNFZEI-BQYQJAHWSA-N 445.397 2.184 30 10 IEEE Cc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 734291496 RUNISADTFHGLKE-UHFFFAOYSA-N 427.511 2.353 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1C(=O)c1ccccc1 741340545 FXBYGORZGUIZRT-ZNTNEXAZSA-N 447.447 2.316 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCN1C1CC1 741565196 SEAJHTCUMCVAFZ-IEBWSBKVSA-N 427.574 2.137 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(OC)ccc1Cl 743730591 ASPALYRAWWYKGV-UHFFFAOYSA-N 443.912 2.183 30 10 IEEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(C#N)cc2C)CC1 748394580 DHVVJQHBTPSHDI-UHFFFAOYSA-N 448.523 2.369 30 10 IEEE CC(C)(C)OC(=O)NCCCOC1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 749102496 QHBJOCPQGUNKGO-UHFFFAOYSA-N 438.550 2.106 30 10 IEEE CO[C@H](C)c1noc(CN2CCCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)n1 749980581 VLXZWGUQQAVTSU-MRXNPFEDSA-N 436.520 2.381 30 10 IEEE C#CC[C@H](NC(=O)[C@@H](COC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757323839 FSDQHZDNWNFNEO-LEWJYISDSA-N 436.464 2.133 30 10 IEEE Cc1c(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)cnn1C 758069398 OXUOVJYUCJQUOA-SFHVURJKSA-N 446.552 2.067 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 772329428 JRNSFICBVZVATH-UHFFFAOYSA-N 447.491 2.089 30 10 IEEE C#CCN(C(=O)NC[C@@H](C)Oc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 774235852 MQMUEXBNBVCGGG-KGLIPLIRSA-N 429.336 2.048 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 777757314 XIYVHNVBUNZPOX-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 779953664 JBZFUPTZBUJHMU-BNCSFYMNSA-N 439.493 2.218 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 780977994 BTCZMOGYLUTUEK-SFHVURJKSA-N 427.523 2.323 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1[C@@H]1CCOc2ccccc21 782762314 GMXHOMUMNVALAY-LJQANCHMSA-N 446.438 2.458 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H](C)c2ccncc2OC)C1=O 783508353 QDWNCPKNQZXBTD-FDBMASJISA-N 427.530 2.225 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CCC2=O)cc1C 788114333 OHFIFEUUMTZSFP-IBGZPJMESA-N 434.544 2.309 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 790567179 RPUUURJDWFTIGD-MBSDFSHPSA-N 434.581 2.273 30 10 IEEE CN=c1scc(-c2ccc(S(C)(=O)=O)nc2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 794845534 AWLNIBIPUWAGJL-UHFFFAOYSA-N 447.498 2.345 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCF)C1=O 797803324 RDHHAZDPFDQTDZ-AWEZNQCLSA-N 432.468 2.257 30 10 IEEE O=C(COC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53)NCC#Cc1cccc(C(F)(F)F)c1 800254669 ZMTMWQNLEVNUIY-HUEGOHFSSA-N 429.394 2.043 30 10 IEEE CCN(CCC#N)S(=O)(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813744705 AGSDBQBXJSXIJG-WOJBJXKFSA-N 434.562 2.494 30 10 IEEE N#CC1(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 815414339 ACJKRDYOCOJBMT-UHFFFAOYSA-N 432.502 2.113 30 10 IEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(c3ccccc3C#N)CC2)C1 816483761 DEMCDVKFCSQCRU-IBGZPJMESA-N 441.576 2.444 30 10 IEEE Cc1ccc(N2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 918368696 FWIPZWNLNATGSU-UHFFFAOYSA-N 426.542 2.163 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)c1 918567546 BVJSJIXMWABLQG-HXUWFJFHSA-N 443.525 2.403 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccc(OC)cc3)nn2)cc1 1125155739 NPWRLDUFNVTUJW-UHFFFAOYSA-N 427.486 2.335 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCOC1 1126549428 HLORZVACUQHVII-JOCHJYFZSA-N 440.504 2.458 30 10 IEEE COC(=O)CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCCCC1 1130728557 FHXUPCTVWFNXHQ-SFHVURJKSA-N 426.473 2.098 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)c(C#N)c2)o1 1132547537 GRJIUKPNINRRJG-HNNXBMFYSA-N 447.469 2.128 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1138108335 MDAUTSRBYCEWMH-OAGGEKHMSA-N 440.541 2.180 30 10 IEEE N#Cc1cn(CC(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)c(=O)nc1O 1149578813 LSTTWSIHVUBFCM-UHFFFAOYSA-N 449.652 2.265 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1ccc(F)cc1 1158269514 RYIZEGRINFVDOX-GOSISDBHSA-N 431.489 2.245 30 10 IEEE CCOC(Cn1ncc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1N)OCC 1164155043 KBSFLOORGJAWCI-UHFFFAOYSA-N 440.548 2.130 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(c4nnc(N)o4)CC3)C2)C1 1164439318 BJOBLBCKUHPKMF-FAGJFJLWSA-N 430.509 2.145 30 10 IEEE CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(Br)c(C#N)c1 1209012160 FYUYOBXCBVTNFR-MRXNPFEDSA-N 443.411 2.357 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1213222839 JCJCLMHSXRTGGE-ROUUACIJSA-N 442.603 2.014 30 10 IEEE CC(C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1Br 1224470189 MIRVOWUZMJAWRM-UGSOOPFHSA-N 440.363 2.306 30 10 IEEE Cn1ccc(N2CCC[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)n1 1265473344 OXGBDUURVYNYNQ-CVEARBPZSA-N 432.525 2.009 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC1 1286272753 CQTWHZSFLHFYRJ-CQSZACIVSA-N 433.354 2.358 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1286392118 HVZXXJQKJYFMSG-IKGGRYGDSA-N 442.532 2.234 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1286395653 SKJJXWLNHGRPJT-SJORKVTESA-N 447.561 2.054 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286672041 FQWDBQJBZHIEGU-ZWKOTPCHSA-N 437.610 2.087 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1286780627 XXBZZCZEGTWPMX-UHFFFAOYSA-N 448.527 2.493 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1286791910 HBTBRVSUWIZTJV-INIZCTEOSA-N 432.956 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1286819137 BHYIRCDBXPGRGJ-DLBZAZTESA-N 447.561 2.327 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1286918750 BSEPMHRRVNUDRW-UHFFFAOYSA-N 449.559 2.096 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1289103135 XWAZFHSNYBCNLJ-UHFFFAOYSA-N 427.526 2.330 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N(C)C)cc1C 1289771970 CICIFTPGFSSXHO-KRWDZBQOSA-N 434.566 2.104 30 10 IEEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1293177899 OVRBIYVOUIOEQH-MVMOUZJFSA-N 431.500 2.110 30 10 IEEE CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1297991438 QARDFGAVEVIAKG-CTNGQTDRSA-N 429.528 2.486 30 10 IEEE C#CCN1CCC(C(=O)N2CCc3nc[nH]c3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 1300176955 CQUZZEDMPZYKKZ-UHFFFAOYSA-N 441.576 2.366 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc2c(c1)OCO2 1300473418 WETKHAGCVNUOTA-UHFFFAOYSA-N 439.497 2.147 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1300511776 LFSAMIJJEBGNAP-MSOLQXFVSA-N 444.532 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC)[C@@H](C)CC)CC1 1300719826 RMYKDFAZZOXTDC-PXNSSMCTSA-N 426.565 2.311 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2csc(C)n2)CC1 1300726916 UDKGLUUYNUKIMG-GOSISDBHSA-N 442.589 2.146 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1300848168 BJZKRNBYXJQGPV-MRXNPFEDSA-N 442.402 2.485 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300982978 UPRQUQRRVPGJNJ-KRWDZBQOSA-N 449.577 2.017 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1301349931 PZLCZODXALHTBD-UHFFFAOYSA-N 428.512 2.324 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1301452576 TZDWEBUJMBXBDA-KRWDZBQOSA-N 430.940 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301491357 HMOWRFBSDAKDOU-IAGOWNOFSA-N 428.924 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301491987 UFKQOZXYMADCBD-AWEZNQCLSA-N 440.445 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(OC)c2)CC1 1301497133 PGFOHRAMTQFQLO-UHFFFAOYSA-N 447.543 2.286 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1301514505 JYRWNBBEZYVHFZ-CVEARBPZSA-N 431.562 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301586742 IPMGVFQYLAWLSE-OALUTQOASA-N 448.564 2.472 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)C1 1302434617 LCVZIQYCQLTCHW-IBGZPJMESA-N 431.562 2.383 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccn2)nnc1N1CCC(F)(F)CC1 1303095402 DIAWEFNJNGYNFW-VHEBQXMUSA-N 443.458 2.026 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)c1 1303420868 IBCABLHGLSEXGN-QGZVFWFLSA-N 443.525 2.000 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1303778184 VBFSPMGVRLHKED-HOCLYGCPSA-N 433.509 2.378 30 10 IEEE CN(C)CCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1314671139 PYNNKWADKDVTKZ-JOCHJYFZSA-N 438.511 2.151 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCCO)C1 1316528545 XOFSVIVWNYKALX-HXUWFJFHSA-N 449.556 2.233 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CCO1 1316540339 JPCQNLLGJOVVBY-QZTJIDSGSA-N 433.896 2.045 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)O)cc1Br 1332213057 FRGLOUSRPZXJTE-MRXNPFEDSA-N 437.271 2.227 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1358898543 VYCONZNTQJHBMU-WOJBJXKFSA-N 440.592 2.350 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1358949690 KJFQFXSSXOGZCG-INIZCTEOSA-N 449.943 2.206 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358960369 CUCHSLGMSYHYSK-SYYJFZTOSA-N 443.573 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCC2)c1 1358992428 LGTUOCSXFUOSGI-HXUWFJFHSA-N 432.528 2.457 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1359007394 IDFUZZOYBSYFSC-UHFFFAOYSA-N 430.509 2.332 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1359010778 ZAOPOWPOIUTHDJ-ZWKOTPCHSA-N 445.564 2.305 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1359030362 UTPGITGLALDNHF-NHCUHLMSSA-N 446.640 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCn2ccnc2C)CC1 1359032832 FGKMIBHOBANRDV-UHFFFAOYSA-N 449.559 2.313 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359055424 DGUSVKLRGLLBIC-UHFFFAOYSA-N 427.578 2.427 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359099244 LKVNQAIGZVKOOD-MKXGPGLRSA-N 438.594 2.167 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1359215779 JGMDMQVLIDWNRA-INIZCTEOSA-N 436.607 2.320 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1)C1CC1 1359251601 PVAUFSNJYMHFOF-GOSISDBHSA-N 443.573 2.133 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1359336577 VDHNWPBTPSPEBQ-UHFFFAOYSA-N 443.577 2.292 30 10 IEEE C=CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359346256 GOYUDEMHWGVYQH-FTRWYGJKSA-N 438.550 2.352 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc3c(c2)OCCCO3)s1 1455882480 ZLDMDXTWNYLKJZ-UHFFFAOYSA-N 436.555 2.275 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(c2cnnc(O)c2Cl)C1 1456990720 HIPBCAIBWVDAOU-CYBMUJFWSA-N 436.697 2.407 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2ccccc2OCc2ccc(F)cc2F)CC1 1462533961 MBUCUTMGJRJQTJ-UHFFFAOYSA-N 435.496 2.129 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3ccoc3C)nn2CCO)c1 1464785391 QPQKFUZDOPCGQH-UHFFFAOYSA-N 427.482 2.493 30 10 IEEE CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1465065267 JGLMIWQJZGHQHM-HKUYNNGSSA-N 426.517 2.377 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1471225761 CAOSMJFHFQIMAX-SFHVURJKSA-N 433.528 2.191 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nnc(C)s1 1503248156 GFKKMXVQPCVHIV-UHFFFAOYSA-N 445.574 2.090 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)CCO1 1505322082 IEUSKEXHYHPLRC-OAHLLOKOSA-N 445.325 2.441 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)CC1 1505324685 OJPRHJFBNDHBQE-UHFFFAOYSA-N 441.927 2.298 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1507578411 XVLAXLFHVWLEOJ-SFHVURJKSA-N 438.557 2.489 30 10 IEEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507586025 SUQABUYMSOHPRH-UHFFFAOYSA-N 429.528 2.487 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1507681186 ULJUZYYZFPGFFV-UHFFFAOYSA-N 437.504 2.016 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507702309 IRZCACNYJYGECG-ROUUACIJSA-N 431.560 2.008 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)c2ccccc2)CC1 1507737814 GBFGEQMYRVQZSR-GHTZIAJQSA-N 448.571 2.389 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507748176 NLUJJHVLCPQVOZ-NVXWUHKLSA-N 430.530 2.280 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(COC)CC1 1508070789 CVVVOFQTODBSDQ-UHFFFAOYSA-N 440.548 2.312 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1508086988 ADYXMHLQLPBXMX-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1508094014 LWWHHEBLNKIJOF-LJQANCHMSA-N 443.548 2.419 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1508145251 LCRIBQVUUVTYKO-UHFFFAOYSA-N 446.577 2.232 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1511543238 ITOQIRKFOWDQHR-HVCBDAARSA-N 427.534 2.149 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CC1 1512365440 HPCUYSIKQFPJPC-QMHKHESXSA-N 438.580 2.404 30 10 IEEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(C#N)C2)no1 1513743387 VBUYHKGYSASUDA-XERREHJYSA-N 429.525 2.320 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1516063858 PJCVRUZGDRJPFM-HZPDHXFCSA-N 446.508 2.230 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1516381925 JDEPXYPTZVLQAG-MYLWSRITSA-N 442.564 2.397 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1519331501 VXWKYUDGVPQOBR-VNTMZGSJSA-N 448.612 2.487 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1519382543 LSGUJMXKGOGBNW-TZIWHRDSSA-N 441.532 2.112 30 10 IEEE CS(=O)(=O)C1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1537779275 PSKHNNPQDKZISB-GULBITTBSA-N 437.949 2.284 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2Cc2nnc3n2CCC3)c1 1539038872 VRLOYPSABYUYAL-INIZCTEOSA-N 432.532 2.434 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC(=O)N(C)C)c1 1539043934 XBOSVDKLTQTPGD-IBGZPJMESA-N 438.532 2.054 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCC1 1539295514 BVKYDHFQEQHOEY-IBGZPJMESA-N 439.585 2.473 30 10 IEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)CC1 1539889996 GJPDJVYXMLXNES-QGZVFWFLSA-N 448.568 2.125 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1540005321 KHESKIZHCMCRLV-PMACEKPBSA-N 430.597 2.271 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1541095795 KRFIYUFXNYLNOJ-TZIWHRDSSA-N 438.532 2.260 30 10 IEEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCSCCCO)CCO2 1545150641 FBJHEKIZVRMXFY-HTAPYJJXSA-N 443.573 2.317 30 10 IEEE CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)cn1 1547618669 TVLWZGKDELSQHV-UXHICEINSA-N 432.532 2.425 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nnc(C)s2)CCO1 1555390437 XDZFBGNPJOVLLM-GOSISDBHSA-N 439.545 2.461 30 10 IEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)C1CCOCC1 1557577191 FKTZUKLOQRLLPH-FQEVSTJZSA-N 432.567 2.427 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC)C[C@H]3CC)nnc12 1558981604 ISERPZKNEJWXQG-MRXNPFEDSA-N 440.573 2.265 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC12CN(C(=O)OC(C)(C)C)C2 1564630182 ZSCVLVYQPSKVDH-JCYILVPMSA-N 434.537 2.368 30 10 IEEE Cc1nsc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1C#N 1583527228 WIOKUHSMWZAZHT-CYBMUJFWSA-N 449.514 2.295 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 1587862400 WHXGDCRDCNKWFL-LJQANCHMSA-N 431.562 2.051 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCCCC2)nc1 1588074727 QGHGTYCRFUQHOL-UHFFFAOYSA-N 433.560 2.313 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN(C)Cc1ccccc1 1588129170 YMWRJGVQTUCBIF-UHFFFAOYSA-N 430.512 2.211 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H](O)C1 1588280169 HMOPEDBIWQVUBT-PKOBYXMFSA-N 445.589 2.206 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593858681 KDNSECXNZWAJJM-UHFFFAOYSA-N 430.896 2.227 30 10 IEEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCCS(C)(=O)=O)CC1 1594083438 NINNUYSRPSTFAP-UHFFFAOYSA-N 435.550 2.377 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)CC1 1594760172 FKRYTKSRYHXZCO-UHFFFAOYSA-N 440.577 2.296 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1596806343 GCINSIKBAIVQEG-INIZCTEOSA-N 441.561 2.178 30 10 IEEE N#Cc1cnc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c2sccc12 1611803201 VPPGNLLRBVYSOA-UHFFFAOYSA-N 428.543 2.127 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1614301137 CCRFQNXDJCMEFW-HXUWFJFHSA-N 447.547 2.384 30 10 IEEE CCN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1615240026 SZXDDCVNRYDPHG-BSBNDGSWSA-N 428.537 2.467 30 10 IEEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1619470573 DZYAKELZSZYLHC-QGZVFWFLSA-N 431.500 2.360 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1620086371 KZDFFAUSGPZDGO-HBMCJLEFSA-N 441.532 2.316 30 10 IEEE Cn1nccc1[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1628138507 YFNCBTPJSATTKX-REOHEROTSA-N 429.521 2.107 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)Nc2nc3ccc(I)cc3[nH]2)cc1 1630206988 NYFMVMNUDQAWRS-UHFFFAOYSA-N 445.220 2.408 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)s1 1630318511 IPIDPVWWIZRXPC-CQSZACIVSA-N 433.555 2.401 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)c1 1630546557 KNQYZJYNCBULOY-HXUWFJFHSA-N 441.528 2.481 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1632560331 PWRSQIJARCZCBZ-MRXNPFEDSA-N 435.525 2.478 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1641564499 UGZNAEMERWZFBY-HNNXBMFYSA-N 430.505 2.467 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)cc2)cc1 1643590458 XUARJIKVHOVFDE-OAQYLSRUSA-N 438.553 2.135 30 10 IEEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CCCCC1 1644640561 LHLJINWLTQTNJR-UHFFFAOYSA-N 445.585 2.038 30 10 IEEE CC#CC[C@H](CO)NC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1674081685 CQTDOWNNHOPQIT-HXUWFJFHSA-N 425.508 2.121 30 10 IEEE C#CC[C@@H](COC)NC(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 1679162799 YTSLHPPGYSYEDY-SFHVURJKSA-N 431.514 2.334 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1684561612 PCZLDBUGLSZSRG-INIZCTEOSA-N 426.452 2.047 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@H]2CC[C@H](CO)O2)c1 1689868908 UZAZNFKIXOWJMV-FFZOFVMBSA-N 425.533 2.388 30 10 IEEE C#CCCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689905803 BCSBDSDCKRYTEP-BJKOFHAPSA-N 445.608 2.423 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(CC)ns2)CC1 1689943153 MQXVQWZTFCRHRE-WMZOPIPTSA-N 445.593 2.156 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C 1690043545 FANKMTYMIVOZGQ-XMMPIXPASA-N 432.528 2.062 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1C 1690096712 YZMDWZLWIQBHMM-PKOBYXMFSA-N 446.573 2.107 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690563529 VIUWWEVADAUBAA-NRFANRHFSA-N 427.530 2.015 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)C1 1690696393 BDPVESHIIKXRJT-INIZCTEOSA-N 444.561 2.147 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC(F)(F)CO2)C1 1690714957 ZIGRBSMWMQZATE-HZMVEIRTSA-N 428.480 2.208 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691206547 JXCOZJDPNZDHLA-UHFFFAOYSA-N 434.504 2.113 30 10 IEEE C[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1693637426 BNUHIIYJBXUYBQ-SJLPKXTDSA-N 446.577 2.150 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@]2(CCCOC2)O1 1693782931 GHSZLFIVIWVWLQ-HXOBKFHXSA-N 438.532 2.069 30 10 IEEE CCSc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1696534498 HYEWOIVMFWTFIC-SJORKVTESA-N 447.586 2.069 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1)C(F)(F)F 1697134682 VLDCYFYNKZZMPP-JKSUJKDBSA-N 436.438 2.486 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1705561531 URKBZMPTUBRTJE-LJQANCHMSA-N 430.574 2.397 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1705570893 SNLPAMOESLIXBA-LJQANCHMSA-N 448.564 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705580657 NTDXXOBYDHMTJD-NRFANRHFSA-N 440.555 2.019 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705655449 DCVAQPWQNVNBAT-KRWDZBQOSA-N 447.630 2.344 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705670723 HBXZWLGPRQGBAW-YADHBBJMSA-N 428.558 2.049 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1705897293 JUPSPNGNNHMQKE-CVEARBPZSA-N 442.568 2.237 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705942687 AKIVVMCEVNGDBG-LJQANCHMSA-N 442.593 2.317 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705945098 CAHPEFASAJBPDB-KRWDZBQOSA-N 443.639 2.347 30 10 IEEE Cc1nc(Cc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1707744321 RXDRKELDMITQDX-GFCCVEGCSA-N 434.547 2.016 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1710512357 OECYPGQHFHFCHY-HNNXBMFYSA-N 436.472 2.177 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1710873058 FLDJMGUDRLHAIR-ZDUSSCGKSA-N 444.344 2.415 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1711267203 HTKXBNRHZKYHIL-OAHLLOKOSA-N 447.421 2.397 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1711417717 BVDSLYXPERMBNL-KBPBESRZSA-N 436.607 2.419 30 10 IEEE COCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1712394445 GKEYSDWRSIEQSE-QGZVFWFLSA-N 434.541 2.363 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(SC)CCOCC1 1712530063 GJOUDSNXVBMDSU-CRAIPNDOSA-N 427.546 2.356 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1712707710 CIRVWGZZLZGBES-UHFFFAOYSA-N 432.550 2.042 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCc2ccco2)C1 1712875463 CWSYBXXNXSGRQD-NRFANRHFSA-N 426.427 2.359 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCCCC2)CCO1 1712884111 GSWGFXYQIDKOIJ-IBGZPJMESA-N 426.496 2.139 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722313234 RPJBYTCRQDNJIX-IBGZPJMESA-N 425.581 2.124 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722321304 CHJHUWMFLBQMRZ-LJQANCHMSA-N 427.553 2.020 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1722325666 MXVYCDPMKXHFLS-UHFFFAOYSA-N 425.489 2.455 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722362838 OZGCFRGTFMBVMH-RYQLBKOJSA-N 444.557 2.245 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1722404436 BNNFTCQWTIMQOM-HSZRJFAPSA-N 425.533 2.188 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722621688 BWVTXEXOIXAGEI-ZDUSSCGKSA-N 437.342 2.295 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1CC(=O)N1CCOCC1 1722653626 BFMOQPHLJXDIJH-UHFFFAOYSA-N 425.533 2.291 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1722672885 BOBBCXYZQDGDMH-WOJBJXKFSA-N 430.574 2.452 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722694092 LARRNPHFSFLHLS-UHFFFAOYSA-N 448.527 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](C)C1 1722727607 JZCGLRFEWVAEEF-FCEWJHQRSA-N 448.545 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722730581 WRBAOFIQSFADQF-UHFFFAOYSA-N 445.589 2.167 30 10 IEEE CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)O1 1727312602 LXIXGMXKGVJROU-XXBNENTESA-N 438.532 2.403 30 10 IEEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729246434 RVZYVSUPURWMTN-RFUPEKLASA-N 443.573 2.390 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740653315 IRSVHXWTAVUPRD-UHFFFAOYSA-N 430.556 2.357 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC2CCN(CC)CC2)CC1 1740704145 LJEBEPINBIJJAK-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(OC)CCCC2)CC1 1740706893 HMFLPDVABQLOKS-UHFFFAOYSA-N 436.560 2.189 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1740758799 BZFGUAWPGADMSL-LPHOPBHVSA-N 445.593 2.076 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1740823789 OEYDIOWDRCREQA-MRXNPFEDSA-N 427.505 2.460 30 10 IEEE C=CC[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)c1ccccc1 1740856929 YTHFQIJTHPJXBZ-OALUTQOASA-N 436.560 2.083 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)F)CC1 1740954156 DBUPDLMPITYHCX-UHFFFAOYSA-N 430.459 2.381 30 10 IEEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1742062374 QTRIUAPPLYHSSO-UHFFFAOYSA-N 445.574 2.157 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1744034770 XWUHQKYQKFLYRL-QHCPKHFHSA-N 437.548 2.183 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1744073541 NWLLGRVQWKPNJV-HTXNQAPBSA-N 443.552 2.102 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1sc(C)nc1C 1744688810 FEQVWCXEQVMJLB-UHFFFAOYSA-N 439.593 2.397 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1746460160 HTDZFBFPHAHUIZ-CTNGQTDRSA-N 437.592 2.256 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCc2ccccc2F)cn1 1748013555 NQVVXFHNQZWMJK-KRWDZBQOSA-N 427.509 2.480 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(COC)CCOCC1 1748915135 UPNMWYDOBGXQQD-UHFFFAOYSA-N 446.573 2.251 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC=CO1 1748950459 KRMXUALOZZBDRY-SFHVURJKSA-N 430.530 2.127 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748956125 JZGXDKMRYWCIQK-IBGZPJMESA-N 447.543 2.095 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1748979676 IWRRTLCIYAVYGA-JTSKRJEESA-N 426.521 2.406 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCOC[C@@H]2CCCO2)CC1 1748979680 IWYDFLQVZCEYGG-QFIPXVFZSA-N 439.560 2.295 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(CC)c2)CC1 1748994612 LAOILJILQGMUPV-UHFFFAOYSA-N 433.560 2.494 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1749010059 HEVUBBRVEWQKEV-UHFFFAOYSA-N 444.495 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OC)c(OCC)c2)CC1 1749014734 MUBMTBXMRAFJBO-UHFFFAOYSA-N 425.533 2.262 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749137283 XJTLWFORLNHNKM-ONTIZHBOSA-N 431.581 2.333 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1749159447 VCUPJIQTAVJYCG-CADBVGFASA-N 437.610 2.450 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749420474 GRGKIEGETMCSPW-KRWDZBQOSA-N 436.520 2.452 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749430597 RBNQZJNCGTVKHV-IRXDYDNUSA-N 448.568 2.220 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749450940 YFWFCKSIRURBFZ-UHFFFAOYSA-N 431.541 2.259 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1749500788 FYXXNQVTWLCHMN-CVDCTZTESA-N 441.532 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](OCC(C)C)C1 1749731516 GEISWPNLCLDFCA-ROUUACIJSA-N 426.583 2.372 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1749990566 RNQKBZUWOSICJU-GOSISDBHSA-N 440.548 2.115 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1CCCCO1 1750027338 JZVUUNWPTVIQDS-MISYRCLQSA-N 432.569 2.138 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(F)(F)F)CCOC1 1751024672 OVTMMGLGQGVXEC-MAUKXSAKSA-N 428.459 2.058 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1751093315 NTNKEWKCNFZRMQ-ZDUSSCGKSA-N 431.497 2.269 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760181713 ALRZDPUVLILJCA-LJQANCHMSA-N 447.605 2.324 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(CC)c1 1760196601 VGMJJMUSNRLUKA-UHFFFAOYSA-N 426.322 2.384 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(C)C 1760249398 KRQNWUXNNQZZIL-IBGZPJMESA-N 446.573 2.102 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760441894 YEYNKWLPXFHNKQ-LJQANCHMSA-N 430.578 2.234 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1760524739 HPUYGJNEYLVQDH-UHFFFAOYSA-N 431.610 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760551393 DHZGBCHSVOYBGV-UXHICEINSA-N 441.557 2.280 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1763088771 YHRLDYGDKKUZKJ-MEKIYTOJSA-N 438.576 2.381 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCc1n[nH]c(C)n1 1764909945 HISUNZPTHVLICO-UHFFFAOYSA-N 425.928 2.361 30 10 IEEE CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CC#N 1766680065 HMOIVHBLWWMGIV-MRXNPFEDSA-N 432.550 2.320 30 10 IEEE CN(C)C(=O)C1(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1766845466 AIGHGFKWPPUKIZ-JOCHJYFZSA-N 425.512 2.354 30 10 IEEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1)CC(F)(F)F 1768917178 BGZLPHOYVVLGFV-MRXNPFEDSA-N 435.454 2.231 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1769123091 XCALAOXDPOAPFN-SJLPKXTDSA-N 438.532 2.178 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1770457208 XAQCKGGMZATCTL-YIYXVTKBSA-N 436.516 2.393 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772791790 YYCGOKRHYLYLIU-INIZCTEOSA-N 441.465 2.038 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCN3C(=O)c4ccccc4C3=O)n[nH]2)c1C 1850289475 OTFOJMUYUOBNER-UHFFFAOYSA-N 432.484 2.492 30 10 IEEE O=C([C@H]1CCC(=O)N1Cc1ccccc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851212883 ANJMRBMQEXBSOI-CQSZACIVSA-N 431.436 2.438 30 10 IEEE C=C[C@@H](CC(=O)OC(C)(C)C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1852001398 IMLPYWWETICBAD-INIZCTEOSA-N 425.503 2.151 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)Cc1ccc2c(c1)OCCO2 1852755677 ZSZJCYVGOQMJSE-UHFFFAOYSA-N 448.932 2.347 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)n1 1853231303 OBYGETDSFVSPEM-UHFFFAOYSA-N 446.433 2.412 30 10 IEEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)c4cccs4)C3=O)CC2)CC1 1854340379 UWDJAOUUNXDKIF-SFHVURJKSA-N 428.558 2.353 30 10 IEEE CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1855394207 LBOBYHOIHGDMJE-FUHWJXTLSA-N 429.542 2.237 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CCC[C@@H]3Cn3ccnn3)CC2=O)c1 1856678532 WUWRISDKWUHQNH-DLBZAZTESA-N 426.908 2.151 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cc(F)cc(Cl)c3)C2)CC1 1857066224 IVEZXBFLMZXBHH-AWEZNQCLSA-N 427.885 2.033 30 10 IEEE C[C@H]1CC(=O)N(C(=O)COc2ccc(F)cc2)c2ccccc2N1S(=O)(=O)CC#N 1857462608 LILJCUZASMSVRM-AWEZNQCLSA-N 431.445 2.216 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862694375 ICBSGUBJTPEUCJ-LJQANCHMSA-N 439.424 2.318 30 10 IEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1870098012 JBXKJSCRWXJHKI-UHFFFAOYSA-N 441.429 2.115 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)ccc21 1891818150 QHNSVHFJYUFYIC-UHFFFAOYSA-N 426.498 2.094 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1963875222 CGEJWQCSJLCXON-HUUCEWRRSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)(CO1)C2 1964763776 MQZZPPYLANMUNC-NNAHLOSHSA-N 440.544 2.297 30 10 IEEE C=CCN(CCC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1984872137 RCFKIHXIXKQLNI-AWEZNQCLSA-N 429.514 2.284 30 10 IEEE C=CCC1(NC(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993253675 KYOAESVMPOOQNI-CQSZACIVSA-N 427.542 2.332 30 10 IEEE N#C[C@](N)(CC1CC1)Cn1cnc(I)c1I 1995445521 DDCTZXDSCPTAAK-SNVBAGLBSA-N 442.042 2.113 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2052718559 YFPZUTMCKSSOOK-WBVHZDCISA-N 436.358 2.286 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060637216 INZFBCWGZVFRCA-TWMKSMIVSA-N 437.390 2.382 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ccc(Br)cc1C#N 2118201734 UBKKKSCPIYNVPW-SFHVURJKSA-N 426.311 2.413 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CCC 2124502086 UYQFMWCVNUTYJL-LBPRGKRZSA-N 428.331 2.374 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]12 2124521369 FZZXHDYYRIOUBM-FXUDXRNXSA-N 444.341 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)CCC#N)CC1 2211432605 CRTKEHWDYRUYMJ-UHFFFAOYSA-N 446.570 2.020 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@](O)([C@H](N)C#Cc2ccccc2Br)C1 2227477399 QLNBHMWPOKRGGB-VQIMIIECSA-N 425.323 2.126 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@H]2C1 2255380004 SZBCXKRVAOFGBK-OAGGEKHMSA-N 431.342 2.427 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2255633416 APTCZVPUPOOIIC-STQMWFEESA-N 449.382 2.428 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255649592 VBDCEOYXDGGIPC-CQSZACIVSA-N 436.362 2.047 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)O2)C1 2258957107 KLAMTLHDBORKJZ-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2267157611 ZCUVLJDZXRUHDW-AWEZNQCLSA-N 448.325 2.275 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2267233629 JQJZLVVVJOINKC-HOTGVXAUSA-N 445.369 2.402 30 10 IEEE CCn1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267492891 DXBVNRIPWQKZTL-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267548140 DRFOYLYDCBYRDK-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272636478 LSCQJYRXIAGPPB-CMJOXMDJSA-N 443.353 2.368 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c(OC)c1 2296622714 GBANWBKIGUJLBC-FQEVSTJZSA-N 425.485 2.472 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2303309636 WICIPAVHIPGNLJ-FRYIKTPZSA-N 428.533 2.294 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)OCC=Cc3ccccc3)n[nH]2)cn1 2314007123 VUUVARQLLDNIDX-UHFFFAOYSA-N 441.517 2.442 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2c(F)cccc2Cl)CC1=O 2329016164 AFUBPOPROAILEH-NSHDSACASA-N 438.916 2.255 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccnc1 2330792478 NIKBRDKOBVXSPA-HNNXBMFYSA-N 437.529 2.161 30 10 IEEE CCOc1cc(C=Nn2c(CCOC)nnc2SCC(=O)N(CC)CC)ccc1O 2331237795 FRPCOSZAEQLCIF-UHFFFAOYSA-N 435.550 2.414 30 10 IEEE CS(=O)(=O)C1(C#C[C@H](NN)c2cc(Br)c(Br)s2)CC1 2342087798 OFYYGJSKNPSBNL-QMMMGPOBSA-N 428.171 2.358 30 10 IEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343639804 YFBGTEJNVQEGNA-CVEARBPZSA-N 449.332 2.410 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCO2 10358849 BJWLZFIYYOKWBJ-OAHLLOKOSA-N 442.497 2.064 30 10 IEEE COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)coc2c1 15616664 HCDPWSMIHLUKFU-UHFFFAOYSA-N 439.493 2.389 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)cc1C 29822591 PSGNHXUPGMDYAH-SFHVURJKSA-N 427.526 2.476 30 10 IEEE CCCOc1c(OC)cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC 169907657 FJPSIDRBGKKFQS-RGVLZGJSSA-N 435.458 2.240 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 461295436 RDFOOXKFPSCUHI-UHFFFAOYSA-N 435.468 2.225 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 462086420 XFYBRKWBYVTYNO-CTNGQTDRSA-N 431.500 2.143 30 10 IEEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 471009755 DUMYPSNBTVAMLL-SWLSCSKDSA-N 431.846 2.299 30 10 IEEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)Cc1ccc(C#N)cc1F 478129187 BIEIXBRHWDMJFZ-AWEZNQCLSA-N 444.488 2.223 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)n1 484453479 OJRCIYAOIKEKCK-KRWDZBQOSA-N 449.442 2.128 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508707712 WZFULBJQUNPCTB-QGZVFWFLSA-N 427.530 2.286 30 10 IEEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 508867851 RVPMZSKAJVRDCE-UHFFFAOYSA-N 425.924 2.409 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H]1c1cccnc1 510382768 AHHAFIGJWGAOKE-UZLBHIALSA-N 446.467 2.069 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 549291182 VIXQMRBESMYQNC-QFIPXVFZSA-N 440.592 2.196 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCO2)CC1 549650760 KNGORNPHOBCLIX-SFHVURJKSA-N 442.539 2.078 30 10 IEEE C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 556243958 SEBYMXURDLFAQO-RDTXWAMCSA-N 429.318 2.262 30 10 IEEE Cc1nc(C(=O)NC[C@@](C)(NC(=O)c2ccc(C#N)c(C)n2)C(F)(F)F)ccc1C#N 556478886 QNAXUWNYMSDTJI-LJQANCHMSA-N 430.390 2.318 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 564228647 UCMCKTNMRXCJIJ-NRFANRHFSA-N 446.511 2.208 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)Nc2cccc([N+](=O)[O-])c2)sc2c1CCC2 586292066 IQYDDXQGJZAXGT-LJAQVGFWSA-N 432.483 2.343 30 10 IEEE CCc1ccc(CN2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)s1 609995200 MDKWDLDKLYOFGX-UHFFFAOYSA-N 431.583 2.441 30 10 IEEE CC[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1OCC(=O)NC 612840331 COPZXDILSGMQCM-LJQANCHMSA-N 436.516 2.061 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ccc(OCC(=O)NC4CC4)cc3)cc2C1=O 615023698 GMBRJJIKTRSYOE-UHFFFAOYSA-N 447.491 2.099 30 10 IEEE C=CCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(F)(F)Oc1ccccc1 669810650 PJFUQTXBYBCNHK-HNNXBMFYSA-N 432.431 2.065 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@H]1CCOC1 683734475 FIYXDEFKVCWBTL-QGZVFWFLSA-N 445.544 2.367 30 10 IEEE C#CCOc1ccc(Br)cc1CNC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 715501110 ZEOLMKNNNRBWAD-UHFFFAOYSA-N 438.322 2.026 30 10 IEEE COc1ccc(CNC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1C#N 746771120 AFOHWGHRENWIAZ-UHFFFAOYSA-N 438.484 2.252 30 10 IEEE C=CCCC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 761346356 DKBOSLSEXNCHAQ-UHFFFAOYSA-N 446.319 2.162 30 10 IEEE Cc1cc(N2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)ccc1Br 765915941 PFBVIQHIPDUORD-FUHWJXTLSA-N 446.349 2.245 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(-c3ccc(F)cc3)c2=O)cn1 772274092 AVQNHDVZQGFGFC-UHFFFAOYSA-N 448.454 2.297 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)n1 788693897 HWULERZNGJZAHC-UHFFFAOYSA-N 442.900 2.105 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc(N)c3c(C)c(C)sc3n2)c1 792629457 OVHGFEXGYCOBAB-UHFFFAOYSA-N 430.511 2.159 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(Cl)ccc1OC 792768736 KCLUKJNTYBVOBO-QGZVFWFLSA-N 436.965 2.371 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793467979 HSATWAFAPHCUDI-UHFFFAOYSA-N 446.532 2.268 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](CN2CCOCC2)C1 800778619 LVABSXHWJANKEK-HXUWFJFHSA-N 440.548 2.049 30 10 IEEE COCC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 810166651 MCSFBRSHYJOWPK-QIDKZVQTSA-N 440.566 2.453 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCSc3ccccc32)c1 857835965 CDEOAFJKGFUYFV-OAHLLOKOSA-N 444.534 2.282 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 916179023 DWJMWZHBJGUJMZ-UHFFFAOYSA-N 429.542 2.227 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n2)s1 1084057783 WAHXMDMXMIEKJE-UHFFFAOYSA-N 433.479 2.304 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3ccc(F)cc3)n2N)cn1 1084525082 JFGALEIIHQGJQS-UHFFFAOYSA-N 431.501 2.475 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2CC=C)C1 1116935452 BPVDZGXEKZMXEL-GOSISDBHSA-N 431.562 2.375 30 10 IEEE CSc1nn(-c2ccccc2)c(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)c1C#N 1124472590 RJFKTPVMAZUWRV-UHFFFAOYSA-N 442.545 2.214 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1CN1CCN(CC)CC1)C(=O)OC(C)(C)C 1136214126 OVMRZLGALWUMDJ-UHFFFAOYSA-N 428.577 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 1138075239 IEKPTVMDNLGAFP-HSZRJFAPSA-N 440.500 2.135 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 1264809672 PXRNZIVRGPRVIT-UHFFFAOYSA-N 445.519 2.428 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286393691 RMWSCOJTUSHUAM-YZGWKJHDSA-N 434.606 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1(N(C)C)CCOCC1 1286412237 DYTFRNULBWAEMR-UHFFFAOYSA-N 435.572 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2F)CC1 1286488277 MFHBBDYLIBMVFZ-KRWDZBQOSA-N 443.523 2.155 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](OCCOC)C1 1286561212 ALNRMJMPZYJRKN-SJBKTWHCSA-N 427.549 2.487 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286712128 ZFTOTZOAYJPTRK-OAHLLOKOSA-N 427.475 2.344 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccoc3C)CC2)nnc1C(C)(C)C 1286792934 MGCGSMZLEQEZKH-UHFFFAOYSA-N 428.537 2.178 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(SC)c2)C1 1286812299 NIXJKOBLIUTOAS-QGZVFWFLSA-N 428.562 2.347 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](OCCN3CCCC3)C2)C1 1294721605 XOWGMHNRWLYDLH-LJQANCHMSA-N 447.377 2.470 30 10 IEEE CCS(=O)(=O)Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1299437999 MPEJLMKLKITRIT-UHFFFAOYSA-N 449.554 2.079 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCCO2)c1 1300334840 VXAPQYQSSIAIMU-OAQYLSRUSA-N 430.512 2.499 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(NC(C)=O)nc1 1300522555 IFSSLXOIWXIJET-UHFFFAOYSA-N 428.452 2.148 30 10 IEEE COC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1)OC 1301013959 YDCUSSCWMFCHAR-UONOGXRCSA-N 436.310 2.098 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301251776 IANPFKQHVATHAB-JKSUJKDBSA-N 432.550 2.165 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1301253082 VOZQMGNSLDCUAW-UHFFFAOYSA-N 449.552 2.398 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 1301969419 WUQZDFCMIZMORX-BBWFWOEESA-N 434.541 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1302220489 DDMPZXCTBIAMEO-QZTJIDSGSA-N 444.536 2.078 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccncc3)n2CCCCCO)CC1 1303000730 RIIXSLDHRUQINF-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCN2CCCCCC2=O)CCO1 1303003000 APFBWTBJKRKAHU-SFHVURJKSA-N 428.562 2.452 30 10 IEEE COC(=O)[C@@H](Cc1cncs1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1303321660 OONRWMFUXCXSBA-OAHLLOKOSA-N 449.330 2.114 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1303627646 MPORNSBMSKGDDP-LLVKDONJSA-N 425.371 2.270 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1307959019 JTGAZWORHZCNAB-JKSUJKDBSA-N 449.518 2.066 30 10 IEEE C=CCN1CCC(NS(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CC1 1309160173 NHMYMUNXVTYYSF-UHFFFAOYSA-N 433.496 2.226 30 10 IEEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1342213627 WIJBZIHFLUEFFP-RDJZCZTQSA-N 443.363 2.406 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1358924991 PMSAWDLYVTVBOW-IBGZPJMESA-N 440.573 2.338 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358934279 VSSHAQPAEKCITG-IBGZPJMESA-N 436.516 2.052 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1359007782 VWLUPBXJZLAFMW-FQEVSTJZSA-N 449.559 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCn2nc(C)cc2C)CC1 1359043152 IZOMNCZIONDLDI-UHFFFAOYSA-N 448.575 2.153 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359060381 UCONZSRJNZWUIV-JOCHJYFZSA-N 425.558 2.125 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1359131590 YTGUKMCMPTZVPQ-IRXDYDNUSA-N 438.532 2.398 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359189326 HGVGSNUWCFFBKZ-XWTMOSNGSA-N 437.610 2.448 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1359208058 DZJUGDZKQUXVIH-LNLFQRSKSA-N 436.626 2.308 30 10 IEEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1359267991 ZGHFJOQSXLYTGL-GHTZIAJQSA-N 438.594 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359329640 PRIQKDOPVKRUEJ-GCJKJVERSA-N 446.573 2.320 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOc1ccccc1 1360693680 JVJFSJAQACXXNV-UTKZUKDTSA-N 446.577 2.487 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1360788164 MNHLLJAWQSQIGP-WIYYLYMNSA-N 444.561 2.238 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H](O)C1CCOCC1 1445711313 RHWBIBSQPVCNRR-UXHICEINSA-N 429.517 2.296 30 10 IEEE N#Cc1sccc1C(=O)NC[C@H](O)COc1ccc(I)cc1 1445803474 QLEBIVHFSZOHHV-NSHDSACASA-N 428.251 2.394 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1452490243 RSLBBDJYRKVQAQ-VQTJNVASSA-N 429.565 2.440 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 1462720849 KDGGWDZBGNDBON-SFHVURJKSA-N 447.557 2.396 30 10 IEEE COC(=O)C(C)(C)c1csc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1466639738 GHHILZBZOVZIHK-NWDGAFQWSA-N 437.522 2.474 30 10 IEEE C#CC[C@H](COC)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1470741460 ZBXMRXDVCHMGAY-IXDOHACOSA-N 428.558 2.490 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)C2)nc1 1471983388 BWBFUHSHOXMLIJ-SFHVURJKSA-N 430.468 2.441 30 10 IEEE CCOC(=O)[C@@](C)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(C)C 1472004793 RPWXPSRVKNGADF-FDDCHVKYSA-N 442.516 2.495 30 10 IEEE CNCCCc1n[nH]c(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1C#N 1472482228 HTHYGFKUWJSXBH-UHFFFAOYSA-N 442.479 2.482 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1F 1475214587 CAFDRRQNASHYTR-UHFFFAOYSA-N 447.488 2.476 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c(OC)c1OC 1504241256 GQDZELKLLFJKSG-HOCLYGCPSA-N 442.520 2.236 30 10 IEEE COCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1504829165 FNRQHCFVXLSYAP-MRXNPFEDSA-N 436.310 2.385 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1507514671 DDXWUTNVPHUHDZ-ROUUACIJSA-N 442.539 2.179 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCN(CC)CC1 1507522872 YHJNRFHIGBOQJY-MSOLQXFVSA-N 425.537 2.337 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN(C)[C@H](C)CC)c1 1507549297 FXSURIIZIFLJBX-GOSISDBHSA-N 448.575 2.465 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1507631832 UGYMIGMFRRBYEU-QGZVFWFLSA-N 447.561 2.134 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)COC 1507665667 RIRNFGONYSNNNZ-UHFFFAOYSA-N 442.589 2.374 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1507740506 AQZAJWAKTFDDFJ-GDLZYMKVSA-N 433.603 2.157 30 10 IEEE C#CCSCCn1c(N2CCN(CC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507758019 GKIFIPCHHWABRW-JOCHJYFZSA-N 435.638 2.463 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507781662 FSMITRLEVFLXFS-MRXNPFEDSA-N 447.337 2.170 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1507982525 NBFSLWLMYRZOJQ-MOPGFXCFSA-N 427.553 2.126 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C 1515813278 HDVBWZPGYUOUGO-SJORKVTESA-N 444.543 2.278 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC(F)(F)CO1 1516601475 HJEBEJYYUIPQPV-IBGZPJMESA-N 446.502 2.433 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1([S@](C)=O)CC1 1516617990 GUFUCMOXTAQVIT-PBYQXAPXSA-N 429.546 2.175 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1516678905 HTMVGOWFPYPKLI-BSBNDGSWSA-N 439.520 2.053 30 10 IEEE CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1529574420 SYFFSEYVWYSUQI-MBSDFSHPSA-N 440.500 2.344 30 10 IEEE O=C(CCOCC(F)(F)C(F)(F)F)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1532756239 VEMRRRPJNGMOLL-VHSXEESVSA-N 426.304 2.460 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1535780899 KPKPSUKLWUDEPG-UHFFFAOYSA-N 447.538 2.024 30 10 IEEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2 1538259130 QSFCWFCCZHTRGX-UHFFFAOYSA-N 448.570 2.455 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1539011945 ILRLDLPUSFOUIP-IAGOWNOFSA-N 432.569 2.375 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540013311 NMNUZFYQDGZQNS-LJQANCHMSA-N 449.625 2.214 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccccc2)CC1 1540870446 NNMCDKRIAFWBPD-NRFANRHFSA-N 438.576 2.187 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](COC)OC)C1 1540883786 FFAGSCSAGIRSJN-CABCVRRESA-N 440.342 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540902117 AYBRENFHABRBRM-GOSISDBHSA-N 435.594 2.128 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1540909880 RDWWQMLBLBUWIW-LSDHHAIUSA-N 433.669 2.385 30 10 IEEE CC[C@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1545648083 CPZHFOLZTCZQFI-LZICOFPGSA-N 426.525 2.077 30 10 IEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)OC 1555248967 JPAPQLCWBZBMFI-PMACEKPBSA-N 440.548 2.219 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1583078607 VTDVYLZHPVIQLU-UHFFFAOYSA-N 445.451 2.059 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 1584523716 LSMVVCFMTBIERF-NRFANRHFSA-N 442.313 2.087 30 10 IEEE C=CCOCCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1586439102 JFKAFNOUFUFADJ-OAQYLSRUSA-N 428.526 2.043 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1587497054 XILHYLXEOHJNLR-SFHLNBCPSA-N 433.430 2.206 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1587632959 QGWNDJNYSMKWKU-HKUYNNGSSA-N 425.533 2.145 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588051016 ZKBGMJYRPXUOAS-PMACEKPBSA-N 445.589 2.418 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1588083645 HVKAWBDKBWPMQC-CQSZACIVSA-N 439.463 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCNC(=O)c1cccc(O)c1 1588210815 OEUSRZFIUOFZQE-UHFFFAOYSA-N 430.512 2.272 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CC=C)CC1 1588779802 DISCCTLZMDTOKC-UHFFFAOYSA-N 431.548 2.278 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)CC1 1588871657 LTPXNVQTYGVDRF-UHFFFAOYSA-N 444.967 2.180 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC(F)(F)CO2)CC1 1588872113 XAMBKVUEIPFYFQ-QGZVFWFLSA-N 447.486 2.045 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1594720075 AUZJHSGBVHGAEN-HXUWFJFHSA-N 436.560 2.395 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1595234379 RBGOBBPSBHXMCF-IXDOHACOSA-N 430.553 2.363 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C(=O)OC)s4)CC3)cc2C1=O 1596484013 FSHYZDQUWDREPG-UHFFFAOYSA-N 439.493 2.279 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1598234879 ASORGSRJSLYAQM-JPYJTQIMSA-N 440.548 2.228 30 10 IEEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CCC(=O)N2CCOCC2)cs1 1612397509 LULYTQXZMIQYCV-UHFFFAOYSA-N 443.577 2.013 30 10 IEEE Cc1nc(CN2CCCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CC2)no1 1612424930 BEPOAMHVGCJWHO-QGZVFWFLSA-N 449.563 2.171 30 10 IEEE C[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612766165 AUGBHRROAMJWAM-NFFVOIMASA-N 435.532 2.417 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(NC(C)=O)cc1 1614028181 UJPPVOZZYVHIHK-UHFFFAOYSA-N 430.516 2.440 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)C1 1620053992 AAAAVKVFYRCIFD-LJQANCHMSA-N 438.488 2.241 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1620204635 ZICKTPBXCJLJII-KKSFZXQISA-N 429.546 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 1626672209 NNSDLKKAZFIEMG-FQEVSTJZSA-N 438.528 2.473 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)c1ccc(C(=O)NC(C)(C)C)cc1 1626675396 HSMLFBHQMRWPOI-OAHLLOKOSA-N 442.541 2.416 30 10 IEEE C=CCC[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OCC 1627751779 HMWCJWCHUNRNTP-CYBMUJFWSA-N 425.279 2.189 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1627905636 LEGWTRFLURDILX-HZPDHXFCSA-N 429.945 2.262 30 10 IEEE CN(C)CC#CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1635386651 QKDRNSWEWPDVDO-UHFFFAOYSA-N 433.961 2.212 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1635599517 SQUVLADZWQBLPO-OAQYLSRUSA-N 426.900 2.356 30 10 IEEE CN(c1cccc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1)S(C)(=O)=O 1638946203 ZGNUHYOKVQFEKG-FQEVSTJZSA-N 428.514 2.237 30 10 IEEE COC(=O)[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1639001467 CCXMHRDDSKMJOK-SFHVURJKSA-N 449.573 2.381 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 1640916204 MWZRMAFKDTXDLV-HZPDHXFCSA-N 428.470 2.325 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)CC2)cc1OC 1642537249 SKFQEKSQVBGTMA-SJLPKXTDSA-N 435.546 2.255 30 10 IEEE COc1cnc(C(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc1O 1652476200 AJBFUGDQDSQMAX-ABTIHDLSSA-N 445.520 2.329 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2ccc(CCC#N)cc2)CC1 1653930411 XYTVFFNNZTUKNH-UHFFFAOYSA-N 426.542 2.290 30 10 IEEE C[C@@](CO)(Cc1ccccc1F)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1654936139 QUNVAURASSHTHD-UPVQGACJSA-N 442.510 2.257 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1656973620 IJOAZMNAPTXWOK-MRXNPFEDSA-N 433.571 2.050 30 10 IEEE C#CCCCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1678975466 HINHBLUVMGHPMS-OAHLLOKOSA-N 425.270 2.277 30 10 IEEE CCC(CC)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(OC)c(OC)c1 1679860827 QGTIMSLXNSKZIE-JTSKRJEESA-N 449.573 2.341 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC(=O)N2CCCCc3ccccc32)C1 1679945018 RYRVTOQNIYDXOB-ZWKOTPCHSA-N 441.532 2.414 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC4(CCC4)S(=O)(=O)CC3)CC2)nc1 1680367072 CVGGYFNWMOKLCW-UHFFFAOYSA-N 432.546 2.396 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1681434474 OLVBBAZRJVTNGH-IRXDYDNUSA-N 444.488 2.136 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 1686548774 MWDFHGYWDKHVLN-UHFFFAOYSA-N 427.526 2.056 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3Cl)CC1)C2 1687386195 BIMSITSRZWHNIN-GOSISDBHSA-N 444.944 2.395 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1689947950 OZQOUYBFLBPYND-CHJDUVSTSA-N 430.574 2.315 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C 1690107921 IDRDMDNPDILBTB-KURKYZTESA-N 434.585 2.085 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCCN2CC)CC1 1690142540 PWSVEODLIKRHEI-NRFANRHFSA-N 435.576 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@H]2CC)CC1 1690150793 VOCMIIDXOVJZDG-UYAOXDASSA-N 440.592 2.193 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1690204974 XJMMRIMZXNNKLY-DENIHFKCSA-N 428.558 2.367 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690225958 RPMUJPGLXCPSFY-YOEHRIQHSA-N 433.354 2.406 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1690265766 USDDEEHUVPVODC-APWZRJJASA-N 427.640 2.020 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690481494 HBMSFSPRNVAVGC-HZPDHXFCSA-N 427.505 2.266 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(NC(C)=O)cc2)C1 1690685237 YTKOKCOEUBCXEI-HXUWFJFHSA-N 440.548 2.399 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@@H]1CCOC1 1691865414 DEVRFRIPXWSWLF-LJQANCHMSA-N 425.537 2.190 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1705492372 PRCFUHKSZGKNSF-BZSNNMDCSA-N 433.553 2.266 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)cc1 1705598112 BIASJTJIHCLSSK-FQEVSTJZSA-N 440.569 2.479 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCN2CCC)CC1 1705643475 HMBYCGRWGUIQQM-BDTNDASRSA-N 444.624 2.022 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705660101 MTTQIVVVMHXZGN-NQIIRXRSSA-N 444.649 2.291 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705692613 OEIGOXZQYADWDE-CJNGLKHVSA-N 431.356 2.053 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 1705705166 DRVOVOFPAGMOQC-SIKLNZKXSA-N 430.597 2.160 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705732700 AAJABORLKTZMSV-HSZRJFAPSA-N 441.532 2.414 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705834738 QQRMWZNWDQOJHV-HZPDHXFCSA-N 437.541 2.461 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@H](C)C1 1705846508 JDKYEXWRJQDXAR-QGZVFWFLSA-N 432.594 2.393 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCCCC2)C1 1705916700 MTFZLPLFPVGHHJ-CVDCTZTESA-N 447.580 2.114 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncccc2N(C)C)C1 1705929358 PDCBRYAPJMQIPV-LJQANCHMSA-N 436.564 2.430 30 10 IEEE CC(C)(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1706095419 HDJYPTLQGJOLKL-VGOFRKELSA-N 442.495 2.395 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1706768694 DVCZBKSYMGKBSH-PZPWOCDFSA-N 449.531 2.174 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNC(=O)OC(C)(C)C 1707909653 BPWLBRPOMRRLLE-UHFFFAOYSA-N 429.500 2.449 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1710824971 DIYGVSYNYVQJNN-JOCHJYFZSA-N 437.592 2.458 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCCCC2)c1 1722308986 ILDVVULQXDYFLW-HXUWFJFHSA-N 436.560 2.324 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCC=CO2)c1 1722309116 JFHFIYNAVPKUPW-LJQANCHMSA-N 429.484 2.484 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722316230 DUTYMYNOQVMACI-RTBURBONSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CCc2ccccc2)C1 1722370144 HPYHZMDQMXMZCB-QHCPKHFHSA-N 444.583 2.152 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1nccnc1C 1722375062 JHTMJGTWWATYRI-UHFFFAOYSA-N 446.511 2.385 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCOC[C@@H]2CCCO2)CC1 1722444217 HQCJIBCENJAHME-IBGZPJMESA-N 431.581 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2c(CC)nn(C)c2CC)CC1 1722445143 SHECKQKHSUCJPH-UHFFFAOYSA-N 425.581 2.274 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1722603630 KJJMAYKOCNLGKG-JKSUJKDBSA-N 447.552 2.449 30 10 IEEE C=CCCCCn1c(COCC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1722611199 TZVKCQPUWHYACV-UHFFFAOYSA-N 425.541 2.174 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1722703864 JXMGHJWERKYQCQ-YCRPNKLZSA-N 447.515 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)CC(C)(C)C1 1722727144 IWPDPAMKLHRVDY-OAHLLOKOSA-N 449.577 2.479 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)c1nccs1 1723821734 DOOCCWTZQLOEEA-AWEZNQCLSA-N 428.543 2.312 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1725794974 HXLWBTQICGBYMK-UHFFFAOYSA-N 442.474 2.185 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1730483319 DXYCWOGNEZLGKP-IRXDYDNUSA-N 427.440 2.071 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1730925004 RVPXJGABQSZDNL-SFHVURJKSA-N 441.532 2.254 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1740595883 LTSXKDNFATZJFM-UHFFFAOYSA-N 426.521 2.131 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCc1ccco1 1740663109 YWYNNYGEISOCJB-UHFFFAOYSA-N 431.294 2.405 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOCC)CC1 1740759310 ILDVYYBOSDYZLC-NFBKMPQASA-N 440.592 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cccs1 1740953546 JITDOHNGKNOSED-UHFFFAOYSA-N 445.570 2.349 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740962540 HAJTVCFKGIGIOQ-HXUWFJFHSA-N 441.580 2.032 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)N(C)C)C1 1740978150 OZKDWKUODFUJTL-HNNXBMFYSA-N 439.969 2.271 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740981623 WNYAYSCXWBDCBC-UFVMTTLYSA-N 426.521 2.243 30 10 IEEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCS1 1741404889 KCHWUTWRHMCITP-PBHICJAKSA-N 435.575 2.271 30 10 IEEE CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1747410941 GXPRBWYLFGHHPA-ZWKOTPCHSA-N 447.561 2.198 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1747512528 YVOTZOGLHZBZGT-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE COc1cccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1748965103 HLZZPWRKLRNXFK-FUHIMQAGSA-N 427.505 2.377 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)CC1 1748999125 JJYNSJKISPVSQG-JOCHJYFZSA-N 447.967 2.053 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OCC)CCCC2)CC1 1749001258 OFDNJVQDNIXQJV-PMACEKPBSA-N 431.581 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@H](C)C2)CC1 1749020081 KOVJDYHMXYRBDY-YHELAOLJSA-N 443.592 2.404 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749037043 AMUMGCHXKHINJR-LSDHHAIUSA-N 445.511 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1749131674 UHWHFZAGJGSVGO-LMMKCTJWSA-N 431.562 2.193 30 10 IEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1749215944 HBFXHPSFFJIQQL-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1N1CCOCC1 1749664389 MDWDUAYJRVZBGV-UHFFFAOYSA-N 447.543 2.115 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)[C@@H](C)C1 1749852921 WWDQPBQNTZTMGO-LAUBAEHRSA-N 438.532 2.069 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1750060103 WIGMJAUQXDTCDU-CQSZACIVSA-N 441.927 2.049 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760181136 QBKAXWJIKWVRBK-HSALFYBXSA-N 448.564 2.431 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760192453 JCDCIIGGDSXPGV-GOSISDBHSA-N 444.557 2.293 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cccc1OC(F)F 1760248995 SXFYTQMLZCAXSL-HNNXBMFYSA-N 437.422 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760315693 HZANDIBBROEJPG-ICUGJSFKSA-N 425.599 2.352 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760525218 XXVFASVUBDDHTL-DNVCBOLYSA-N 431.487 2.455 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760534138 ZBLQFOMOPBONDG-IEBWSBKVSA-N 425.533 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCSC1 1760556581 ISNLZACFAILESP-QGZVFWFLSA-N 446.602 2.059 30 10 IEEE CC(C)NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1761272486 ZWHJXOOVPUXZFY-UXHICEINSA-N 438.532 2.146 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 1761903825 HGGAWVJLYHQZQM-AZUAARDMSA-N 438.580 2.330 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H](C)O1 1765307477 HZIPZZBIFDKLEK-UVELEOGVSA-N 441.532 2.272 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)c1=O 1766960714 HYXQINDLJXHLRP-UHFFFAOYSA-N 447.543 2.398 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cc(C)cc(C)c1 1770221338 YRNBTJBELXXABG-JBACZVJFSA-N 441.532 2.427 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC[C@H]1C 1770631318 KDZZOWYQNAEDDX-CZUORRHYSA-N 436.438 2.356 30 10 IEEE COc1ccc(S(=O)(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cn2)cc1 1772791150 MIIIMIQYCVUPNW-UHFFFAOYSA-N 438.417 2.291 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851146916 XJSCCHQMYOBCND-LJQANCHMSA-N 443.548 2.408 30 10 IEEE Cc1ccc(F)c(N2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)c1 1851205194 ZVROQDQLNHPFGT-LLVKDONJSA-N 435.399 2.358 30 10 IEEE COc1cc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nc2c(OC)cccc12 1852210271 NCJAJQVSUYQLLT-UHFFFAOYSA-N 447.495 2.498 30 10 IEEE COCCN1C[C@H](C(=O)Nc2ncc(C#N)c(-c3ccc(Br)cc3)n2)CC1=O 1852427459 KFOFMBIMNBWKOP-CYBMUJFWSA-N 444.289 2.211 30 10 IEEE Cc1cc(C)c2c(=NC(=O)CN3CCC(COc4cccc(C#N)n4)CC3)[nH]n(C)c2n1 1853102096 YBSOLJUVKUUSHL-UHFFFAOYSA-N 433.516 2.003 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2Cl)C(=O)C1 1853947442 PMEHRDKSWWUTGM-UHFFFAOYSA-N 449.891 2.343 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2c(F)cccc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644550 JOAAZUUIMQRIPV-ZDUSSCGKSA-N 449.891 2.341 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)c3cccc(Cl)n3)C2=O)C1 1854880955 LWDNXAPOAPDCEM-KRWDZBQOSA-N 425.876 2.286 30 10 IEEE CC(C)N([C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 1856418813 KJCKSLNHPZQRMD-QAPCUYQASA-N 437.949 2.045 30 10 IEEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2CCc3ccccc3O2)c2ccccc21 1856912541 ABMULCZMVBCOPR-LJQANCHMSA-N 425.466 2.003 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 1862606090 JYHGEXBYGLWTDN-FQEVSTJZSA-N 440.427 2.311 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccccc2F)CC1 1866866380 GRTXSNFSJLMSTH-MSOLQXFVSA-N 430.505 2.280 30 10 IEEE CCOC(=O)CN(C)C(=O)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C 1868782287 GJVFPYIQUZCQAB-PXNSSMCTSA-N 448.589 2.187 30 10 IEEE CCCCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN(C)C 1870350072 OPIRCQHZVFHUAD-UHFFFAOYSA-N 426.561 2.455 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 1872898076 MILDAOAJAQEBLS-OAHLLOKOSA-N 434.334 2.343 30 10 IEEE CCc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874273326 FGODISIGLAWCOB-BRUSPLQXSA-N 428.562 2.415 30 10 IEEE CCOc1c(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cccc1OC 1874342020 XZPQCKUCMNRUDU-BFTVFPACSA-N 447.561 2.376 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cc(C)ccc2O)o1 1874433472 MLRRSDJNMSAAPN-LSFURLLWSA-N 443.485 2.482 30 10 IEEE C=C[C@@H](O)C[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883403029 RACMYMDFKMIGRS-GMZJOTBISA-N 429.494 2.274 30 10 IEEE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)n1 1890307596 VAQBPHALRJSSRX-UHFFFAOYSA-N 432.528 2.139 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(COc2ncccc2C#N)CC1 1891198210 JLLLXVMADVMVGG-GOSISDBHSA-N 439.541 2.427 30 10 IEEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1892079171 GKEBDSYAJGRFLL-HNNXBMFYSA-N 432.458 2.350 30 10 IEEE Cc1nc(I)c(I)n1C[C@H](C#N)NC(C)C 1936400644 YJVHUQYYMSUYKC-QMMMGPOBSA-N 444.058 2.291 30 10 IEEE N#Cc1ccc(Cn2cnc(I)c2I)cn1 1976724493 BAUZTUCSOFJJPX-UHFFFAOYSA-N 435.994 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622022 UTBGSMODGXJIOG-BQJWPVKWSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(N)c2)[C@H](C#N)C1 2106651496 OZZCAHMTBLKYGZ-LLVKDONJSA-N 445.339 2.165 30 10 IEEE CC1(C)OB(c2cccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2134992593 OXRWECWWQWLIQO-VWLOTQADSA-N 436.361 2.353 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)S(C)(=O)=O 2172778277 NLFOQGOYJXCNLY-NEPJUHHUSA-N 447.204 2.401 30 10 IEEE C[C@H](COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)N1CCOCC1 2186850906 UOWDNKKOXUTCOV-CYBMUJFWSA-N 427.148 2.243 30 10 IEEE N#C[C@H](c1cccs1)N1CCN([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)CC1 2195975586 HJSQYRZKNMSMLP-HSALFYBXSA-N 426.542 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224135368 CDGBNJAQHPPWLR-UHFFFAOYSA-N 433.358 2.412 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC1 2248435175 BMFSXRQJBJTRFN-UHFFFAOYSA-N 438.359 2.035 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H](F)C1 2255708855 OKGXPPVDXDRPOI-CABCVRRESA-N 437.321 2.391 30 10 IEEE Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995450 AVAMAMIUFHIVEW-HKUYNNGSSA-N 438.381 2.421 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127327 IHJOYXURNBBNFS-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139608 IVLMXZVEQMDIOW-CQSZACIVSA-N 446.357 2.228 30 10 IEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142196 QUSURQVHRJEWMI-MRXNPFEDSA-N 448.373 2.426 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267197150 JHUWOEXCXPHORA-HZPDHXFCSA-N 446.357 2.036 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267260676 PHWSXUWUDZRYJE-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2267270118 JLNYGLMSNRYWIU-MAUKXSAKSA-N 443.353 2.462 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517010 MIZRZDDVFKWTIR-GOEBONIOSA-N 448.373 2.426 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268633978 VKMDIYQDRIRDKE-KDOFPFPSSA-N 446.353 2.102 30 10 IEEE C[C@@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268716562 FKHDRAMKGJPBRU-WBVHZDCISA-N 448.369 2.296 30 10 IEEE N#Cc1cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1Cl 2270514210 NOMLVYHGSUGSMB-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)c1 2296615720 JVJIUFKPEUHREJ-HXUWFJFHSA-N 440.500 2.094 30 10 IEEE CCn1c(N2CCCC2)c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461256 IUEKVCQUBAHQKM-UHFFFAOYSA-N 446.554 2.324 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317253854 NPBOZOZZUWHUJO-GFCCVEGCSA-N 438.305 2.474 30 10 IEEE COc1cc(C=Nn2cnnc2SCC(=O)NCc2ccccc2)cc(OC)c1O 2321332437 IMFNICJPXDFMOH-UHFFFAOYSA-N 427.486 2.292 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322299397 NMDHWRMASROZHF-VXGBXAGGSA-N 431.239 2.413 30 10 IEEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NN=c1ccc(-n2nc(C)cc2C)n[nH]1 2328794688 PMQXXLDQPWXNQM-UHFFFAOYSA-N 449.471 2.432 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]12 2331228921 FZZXHDYYRIOUBM-QKPAOTATSA-N 444.341 2.264 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2334261339 NLIOOPQCAQVJRA-IMJJTQAJSA-N 446.357 2.227 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)c1 20293059 VTNWXBQJZTVABD-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccccc3)n2)cc1 20831796 XSHZMXPOIMEQGH-UDWIEESQSA-N 445.530 2.019 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3cccc(Cl)c3)n[nH]2)cn1 59886829 RVEMAHXRMXYHIT-ZVBGSRNCSA-N 448.940 2.156 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 65930784 ZLPFXFCYLHDDSJ-UHFFFAOYSA-N 425.533 2.045 30 10 IEEE CC(C)c1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4nccnc4C#N)C3)C2=O)cc1 219963895 RHMDSFIIRAWYGS-IBGZPJMESA-N 434.500 2.394 30 10 IEEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(S(N)(=O)=O)cc1 254483540 LGYLWMTVHRSFIN-KRWDZBQOSA-N 444.538 2.480 30 10 IEEE C[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)sc2C1 435101732 QPYHRKQWBOSRBY-SUMWQHHRSA-N 437.525 2.390 30 10 IEEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460791691 GRRPQAXYEVOVST-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCN(Cc3nc(C)no3)CC2)nnc1-c1ccco1 481285250 KRMMSMUSSQJSFJ-UHFFFAOYSA-N 443.533 2.242 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@@H](COc4ccccc4)C3)C2=O)cc1 481536393 SSVFWACIXKUDGE-RTWAWAEBSA-N 448.479 2.070 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C(=O)c2cnn(-c3ccccc3)c2)cc1 504919725 QKJSNWYLOSLCEK-LJQANCHMSA-N 431.477 2.467 30 10 IEEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 507397145 AFKDOQXKWLGAIO-UHFFFAOYSA-N 441.513 2.015 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 530317811 WXSRYVJUJMYSTA-UHFFFAOYSA-N 445.610 2.262 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)CC1 540464005 NQUZUWOSJBBWEP-FQEVSTJZSA-N 443.617 2.181 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1[N+](=O)[O-] 546169593 CAYHIGZDRLXRHT-FQEVSTJZSA-N 448.483 2.123 30 10 IEEE Cc1nccc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCOC3)CC2)n1 549633408 LCUSRADHPLALCI-LJQANCHMSA-N 430.516 2.278 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC(=O)Nc3nnc(CC(C)C)s3)CC2)o1 555529251 HSKOEVPUABANRG-UHFFFAOYSA-N 445.549 2.218 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)C)CC1 559079729 LMRBUAOIAMJLJA-UHFFFAOYSA-N 442.564 2.043 30 10 IEEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 561304565 KCBZHMIXZZLFNF-HUUCEWRRSA-N 448.951 2.391 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(F)c3)CC2)CC1 610090667 CZVTWISPMKJFIE-UHFFFAOYSA-N 442.516 2.445 30 10 IEEE COc1nc(N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)ncc1Br 610573808 QQMZYMVPZQKHGN-UHFFFAOYSA-N 449.284 2.290 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)cc2C1=O 642554280 PGTCFYLFTYLQFZ-HZPDHXFCSA-N 434.496 2.407 30 10 IEEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669815716 ZWHRKPYOAMGFMM-UHFFFAOYSA-N 444.483 2.078 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)cc1 733075783 XRGIFTGRXLLMFM-PGRDOPGGSA-N 432.590 2.421 30 10 IEEE C#CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 742213729 NFLYQZLDNJUVSZ-SFHVURJKSA-N 434.537 2.247 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 747206307 HEOVTTYLBHSNGE-AEFFLSMTSA-N 444.532 2.205 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 748063801 BEFRRPPRLVVAQO-UHFFFAOYSA-N 434.464 2.030 30 10 IEEE C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 751731398 PHDSIPOLMFHRCW-OAHLLOKOSA-N 444.513 2.255 30 10 IEEE Cn1nc(O)c2c(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc(C3CC3)nc21 756881901 FCNYTHBXRWSFOD-SWLSCSKDSA-N 426.477 2.040 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757321899 MIMHKJKAMXLTDK-QVKFZJNVSA-N 449.463 2.119 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccnn2)C1=O 766420484 RLPBQZVYOUMVBM-SFHVURJKSA-N 444.536 2.205 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 766973889 AOXDTUYVOFHECF-KRWDZBQOSA-N 441.509 2.432 30 10 IEEE O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768049000 KLKRIUAXHDLIRB-LURJTMIESA-N 439.259 2.152 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](OC)C[C@H]3CC(=O)OCC)ccc2c1=O 775975743 QYGQJINVAMRQAU-GJZGRUSLSA-N 431.514 2.054 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CC[C@@]3(CNC(=O)C3)C2)c1=S 788384342 XLCIEGXUYJVQOJ-LAUBAEHRSA-N 427.530 2.282 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnc(OCC3CC3)cn2)c1 790275176 VQYISGNDUVFFOU-MOHJPFBDSA-N 429.502 2.331 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1)C(C)C 790737076 XYOZSZUSBNVUKZ-HOTGVXAUSA-N 426.608 2.419 30 10 IEEE COc1ccc(CC(=O)OCc2ccc(C#N)c(F)c2)cc1S(=O)(=O)N1CCOCC1 791239663 VLSFVGFIGAIMSR-UHFFFAOYSA-N 448.472 2.013 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CSC2(C)C)C1=O 802721311 SFGFDMQKEIIPJB-DLBZAZTESA-N 445.614 2.452 30 10 IEEE CCOC(=O)c1c(NC(=O)COC(=O)c2cscc2C#N)sc(C(=O)NC)c1C 814615618 YOAJMBMSLSBNKI-UHFFFAOYSA-N 435.483 2.322 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc2ccccc2C#N)c(=O)n(-c2ccccc2)n1C 916961405 QCZSPUHOLKXHDM-QFBILLFUSA-N 443.463 2.471 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 918547320 OCXFQFLCZWLMHK-VGLIXDPASA-N 436.534 2.306 30 10 IEEE C[C@@H](NC(=O)CSc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)n1N)c1ccccc1 1084266739 OQZRJDOLXBMNJV-CYBMUJFWSA-N 440.489 2.316 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCc4ncc(Br)n4C3)CC2)o1 1134860441 CKTRFOJBGDCLPE-ZDUSSCGKSA-N 433.310 2.161 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3OCc4ccccc43)CC2)cc1 1134974851 ISPRNFUTRITBOW-NRFANRHFSA-N 425.510 2.347 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC)c2nnc3n2CCCCC3)s1 1136527455 XSSIEYAKCYFESV-HNNXBMFYSA-N 437.591 2.340 30 10 IEEE COCCCN(C)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1137090295 AKYANUIDRLHXRP-HXUWFJFHSA-N 430.549 2.477 30 10 IEEE C#CCN(CC(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)OC)C(=O)OC(C)(C)C 1142335990 QJVQHFJWTNDWQI-SFHVURJKSA-N 432.517 2.404 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)[nH]n1 1143492379 SIRQVZOBTLDCHL-QURGRASLSA-N 431.456 2.177 30 10 IEEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1144807680 IBBXNLAGYWIBCM-MRXNPFEDSA-N 433.578 2.460 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cccc(CC#N)c3)CS(=O)(=O)[C@@H]2C1 1158295966 XQSKQMBPSDQHCF-KBAYOESNSA-N 433.530 2.361 30 10 IEEE C#Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1167325566 QRQOJDRHMAYOMZ-UHFFFAOYSA-N 426.517 2.098 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2ccc(C(N)=O)cc2)c1 1264634444 MMRXHNCNWRJYPT-LYBHJNIJSA-N 428.514 2.170 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1286323036 FWDCGCHSFVTIJD-UHFFFAOYSA-N 447.561 2.213 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1C1OCCO1 1286378621 WBOZQCMHTWJKDT-UHFFFAOYSA-N 437.525 2.433 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1Cc1cccc(Br)n1 1286399461 HLVXIAHPEPSYNU-HNNXBMFYSA-N 432.322 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN(CC)CCC(F)(F)F 1286415111 JWKMEESFIQOONF-UHFFFAOYSA-N 438.498 2.251 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1286430920 LEVSLTAXOUWLBH-QZTJIDSGSA-N 444.532 2.250 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1286531055 GZWYJXLOHMJEAD-ZDUSSCGKSA-N 440.346 2.298 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286789490 HDVCZYVOWUSDGY-OAHLLOKOSA-N 442.549 2.011 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(N)=O)c2)C1 1286812413 OVRCWOCKAZJSHV-NRFANRHFSA-N 432.528 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1286818712 MXTPJDJIYPJBAB-KRWDZBQOSA-N 443.577 2.002 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286834456 HPMJKTKWXFUNJI-KRWDZBQOSA-N 438.623 2.072 30 10 IEEE C=CCSCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1286837509 YIVLHTXZIRIGFU-WFXMLNOXSA-N 438.594 2.234 30 10 IEEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1286965863 YSPFAXGVCJNSID-JOCHJYFZSA-N 434.504 2.250 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1288526620 WYYBGMNBJMQLRV-MAUKXSAKSA-N 429.546 2.040 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1291828469 OZMJEXRUOBISMJ-SJLPKXTDSA-N 426.521 2.259 30 10 IEEE C=CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C(=O)OCC 1296236943 RYDQOCLYGGEVQO-INIZCTEOSA-N 436.486 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1300304971 REDISOWNJKKIAU-INIZCTEOSA-N 435.532 2.048 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(CC)C2)c1 1300333938 GPBZDAWGVYPNAV-PMACEKPBSA-N 436.560 2.180 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300352098 FVPKILFWVFPHGQ-IBGZPJMESA-N 445.571 2.409 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)nn1C 1300635248 HXTUGKSGXZRCBD-UHFFFAOYSA-N 446.603 2.193 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(C)COCCO1 1300653041 HSJIEWXQZCYCAZ-HTAPYJJXSA-N 432.496 2.449 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)CCC)CC1 1300681931 DZSAXFYKFCVHIL-XMMPIXPASA-N 438.576 2.454 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1300683587 QVSOZKWSASUFQD-LJQANCHMSA-N 438.576 2.062 30 10 IEEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301433590 VXDKTDRGWVTTFM-SFHVURJKSA-N 449.577 2.007 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301508334 IIOZWGRZVFRRHM-NVXWUHKLSA-N 432.569 2.272 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1301517613 BMJBXVUWQXKTBN-HXUWFJFHSA-N 437.500 2.411 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC(F)(F)CO2)C1 1301543884 QIXGYFXCBFPXNB-MDZRGWNJSA-N 428.480 2.136 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1303011163 DRVJDLDVEPMYOA-IBGZPJMESA-N 438.532 2.438 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1304273839 QINPOLIJAFMCCF-MSOLQXFVSA-N 438.532 2.296 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)NCC(C)(C)CC#N)CC3)cccc2c1 1312839759 CASCHLUQLIIHJD-UHFFFAOYSA-N 429.546 2.499 30 10 IEEE COC(=O)N1CCC(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1315115689 KPTMSDPHPDVTNI-JTSKRJEESA-N 448.568 2.393 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1316189169 NEDOTBXZOPQLCC-QTEQDKRBSA-N 448.612 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1353157593 KKMHKPPQFAFYNF-AEFFLSMTSA-N 443.548 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1358890151 LSOBNNKBIQALQY-KGLIPLIRSA-N 431.543 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1C(C)(C)C 1358896560 HJQCOQDEYJIUJL-AWEZNQCLSA-N 426.550 2.122 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1358903989 QEUDAPIBSJPUGE-UHFFFAOYSA-N 440.548 2.392 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1358948748 KMMZMCBJRPSPBH-OAHLLOKOSA-N 442.463 2.239 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1358973747 DSLMTVYQVOUWDT-PMACEKPBSA-N 443.559 2.114 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O 1359051457 XJGOGAFVWPVYAX-UHFFFAOYSA-N 433.559 2.043 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359098410 AQMGHFOIEAPNKB-WQJYWUQFSA-N 444.624 2.201 30 10 IEEE C#CCN(C(=O)c1ccc2[nH]cc(I)c2c1)[C@H]1CCS(=O)(=O)C1 1442020490 WYCWNWHNHGWQCR-LBPRGKRZSA-N 442.278 2.035 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NOc3cccc(C#N)c3)CC2)cc1 1454682991 IPBGNBAWSJWYCF-UHFFFAOYSA-N 429.498 2.468 30 10 IEEE CN(Cc1nnc2n1CCNC2=O)C(=O)c1ccccc1SCc1ccc(C#N)cc1 1455754900 GRNAUIJWIAZTRV-UHFFFAOYSA-N 432.509 2.458 30 10 IEEE Cn1cc(-c2cccc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c2)nn1 1461719207 QNYHZELXFMNSQN-SFHVURJKSA-N 429.440 2.197 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2C1=O 1462257854 UGLOBGXZKIQVCQ-AWEZNQCLSA-N 426.494 2.406 30 10 IEEE CC(C)(C)OC(=O)NCCC[C@H](NC(=O)NCCn1cnc(C#N)n1)c1ccccc1 1470101967 FZFUTXKJDPLNPB-KRWDZBQOSA-N 427.509 2.495 30 10 IEEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 1473540260 YUCRYUBVCNLDMT-INIZCTEOSA-N 439.965 2.177 30 10 IEEE CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1478668942 ABFLIPMNWNFJNE-ICSRJNTNSA-N 434.562 2.025 30 10 IEEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1499508000 HAQDQJFDNZYPJM-QGZVFWFLSA-N 446.577 2.294 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C 1503701629 CYUJUCJEYUNJDI-HNNXBMFYSA-N 428.562 2.443 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(F)(F)F 1503956246 QWGPMBXMAPPVFE-HNAYVOBHSA-N 436.438 2.486 30 10 IEEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505261064 KDYSTHLOYVYOJL-QGZVFWFLSA-N 443.552 2.320 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1507630448 YXWHLNMPUPQBAK-KRWDZBQOSA-N 427.555 2.271 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1507647117 ASPVJURHMQTOTN-UHFFFAOYSA-N 427.512 2.001 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507690212 PDWCUNVZKZVSTO-FHWLQOOXSA-N 429.544 2.325 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)cc1)N(C)C 1507702188 GVFFODJFSDQSEN-OAQYLSRUSA-N 438.576 2.211 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCCCCC3)nc2)CC1 1507731953 GIAKATKWLLOLIE-UHFFFAOYSA-N 437.592 2.394 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507750836 GAKWIKXZWMFCKG-IKGGRYGDSA-N 440.635 2.186 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507800563 OBMRSUCNUFSBPY-LNLFQRSKSA-N 446.577 2.120 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1 1507838917 KWKXZDIYMLVLRO-SFHVURJKSA-N 437.342 2.330 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@H]1CCOC1 1509000942 PDTGJIJLSHFDSG-HXUWFJFHSA-N 439.564 2.438 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1509720575 AHZVYNHGVBIPHL-FQEVSTJZSA-N 446.515 2.099 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1 1517123487 CVEMILOFXSUMIT-ROUUACIJSA-N 431.587 2.441 30 10 IEEE COCCN(C)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1519122009 HGOUIRHDCHDKLV-QFIPXVFZSA-N 434.585 2.027 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 1525698499 GFVWSRQTQWLVRE-UHFFFAOYSA-N 447.557 2.010 30 10 IEEE Cc1ccc(C(=O)N(C)CCc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1532602592 MGLQJCLENMMXQZ-UHFFFAOYSA-N 427.526 2.202 30 10 IEEE COc1ccc([C@@H]2COCCN2C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1536076114 GUKCUFDXGAWYMC-SFTDATJTSA-N 448.479 2.372 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)CC)c1 1539043736 UJRHJUDTCURFQP-IBGZPJMESA-N 438.532 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCN(C)CCOC 1539246497 MDWVFCCOMOHWJR-UHFFFAOYSA-N 436.379 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCSC1 1539315352 JOGYYNNEPBSJBE-KRWDZBQOSA-N 432.553 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCNC(=O)c1ccc(C)cc1 1539328338 QCIAHFCGBYRBHH-UHFFFAOYSA-N 426.524 2.465 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539453775 QTDNAECPLJLBMI-OAQYLSRUSA-N 438.551 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CC)CCCC2)CC1 1539476864 GKDJBWCLOCTRRO-SFHVURJKSA-N 426.565 2.165 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCNS(C)(=O)=O 1539568854 BYDZLGFWIVZXES-HXUWFJFHSA-N 433.603 2.420 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NC1CCCCC1 1539569835 KDLZBILQSKZNSU-KPDCDPCYSA-N 429.565 2.443 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539615792 MBNFUSPGPIEFDT-SJLPKXTDSA-N 425.599 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCOCC1 1539645607 RKECNJWIRPCVDQ-VQIMIIECSA-N 431.562 2.478 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC)c2)CC1 1539828121 FRJQSDWEMFXHEH-HNNXBMFYSA-N 435.550 2.110 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1539882210 HKZIKVZFZPFFSU-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1)C1CC1 1540109498 QVQGHZMVDRINOS-FQEVSTJZSA-N 443.573 2.479 30 10 IEEE Cc1nnc(N2CC[C@H](C)N(Cc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543213789 GRWAIFIBJMRQBI-KYAFNBKBSA-N 449.559 2.214 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1545929174 RZNURSCGXKFCGW-IBGZPJMESA-N 440.548 2.201 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1547192888 FGRLIZFWWPMMRZ-RBUKOAKNSA-N 434.610 2.185 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1547703181 ABMNAMDCHDLQMM-KKSFZXQISA-N 446.600 2.102 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccccc2C)CCOC1 1547919072 JDJMGABJHYCBSW-XXBNENTESA-N 441.532 2.437 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nccnc1C 1548307653 CSXIUXRIPQHRHR-UHFFFAOYSA-N 439.545 2.029 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1552607941 UATUIWQCNXUCQI-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1 1554550172 ALQGESVXPFQXNL-CQSZACIVSA-N 443.508 2.223 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1554607338 GHFXEUBPQJYMSE-LPHOPBHVSA-N 447.561 2.167 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C[C@H](C)O1 1555403734 AVSKEJQODNJAGH-YJBOKZPZSA-N 440.529 2.474 30 10 IEEE CN(CCCC(=O)NCc1cc(F)c(C#N)c(F)c1)C1=NS(=O)(=O)c2ccccc21 1556318085 YWBGWQXQIKTKLM-UHFFFAOYSA-N 432.452 2.314 30 10 IEEE C=CC1(CC(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1556541341 TVJNFCFUQOANRZ-HOTGVXAUSA-N 429.583 2.024 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(CC#N)cc4)C3)[C@@H]2C1 1558067105 ZUMZSHTXYOEMJG-OTWHNJEPSA-N 440.500 2.407 30 10 IEEE C#CCOc1cccc(Cl)c1CN[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1561038840 YYLMMPOPPRJQMK-RDYUPDBUSA-N 425.934 2.341 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)NCC3(C#N)CCOCC3)C2)cc1 1565465787 FWSPKLTVACWWFE-GOSISDBHSA-N 434.562 2.015 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1569460991 IBRCIGUQMRCCEH-HXUWFJFHSA-N 428.330 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1587640207 QCLCMDUANBRTHQ-HRCADAONSA-N 425.505 2.029 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588016935 YKTYQLGWMXCHPI-LJQANCHMSA-N 425.533 2.038 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](OC)[C@H](OC)C1 1589109611 HHBZBZKDVLAZTB-BGYRXZFFSA-N 425.558 2.498 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1595500818 GDGJBTSZMWPJCD-KGLIPLIRSA-N 439.969 2.159 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CCO[C@](C)(C#N)C3)c2)c1 1598178810 QTISDFYBTYLQLU-JOCHJYFZSA-N 425.441 2.416 30 10 IEEE CCNC(=O)c1cccc(Cn2c(CC)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1615934528 LZDNUFPDHGGVKB-UHFFFAOYSA-N 444.543 2.232 30 10 IEEE COCCCN(C[C@H](O)c1cccc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1616232238 WWZAEMRQWMXQQK-FQEVSTJZSA-N 449.511 2.028 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)s1 1617405310 WCMPJAMCCKDURS-HZPDHXFCSA-N 432.571 2.335 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1619873092 FVBDBVMQTVSRSV-INIZCTEOSA-N 436.919 2.435 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@@H]1CCC[C@H]1C#N 1620488370 XCQALZLYDWCYLB-RBBKRZOGSA-N 444.601 2.022 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 1626317379 ITUHSCKWFKJBJE-OAHLLOKOSA-N 448.451 2.298 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccs1 1636730932 QZULUUFZEZMNCH-LBPRGKRZSA-N 437.971 2.179 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1638655620 SXPFDUZBKTZRDZ-FQEVSTJZSA-N 434.581 2.284 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)cc1S(=O)(=O)NCC#N 1641523731 YCUYUWUVQZIKLY-UHFFFAOYSA-N 435.509 2.287 30 10 IEEE COC(=O)CN(Cc1cccc(Br)c1)C[C@H](O)CC1(C#N)CCOCC1 1642961118 SDGRBCYPYQOGDY-QGZVFWFLSA-N 425.323 2.495 30 10 IEEE COC(=O)[C@@H]1CN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1654909606 QAERVAFKRXJBRK-ZWKOTPCHSA-N 443.500 2.114 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)C1 1670187158 HQPHVCXWJSASJA-SFHVURJKSA-N 447.557 2.043 30 10 IEEE C=CCOCCCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1682774471 HDEOEFDNWYRAFR-INIZCTEOSA-N 425.526 2.211 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1689876875 LFBCQNWDQBIASZ-SXLOBPIMSA-N 440.573 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1689998612 QVCDPCIQAXRVDF-QGZVFWFLSA-N 430.553 2.135 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1690077756 WCRVWNXYLTVNLY-GOSISDBHSA-N 443.573 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1Cc1ccc(-n2cncn2)nc1 1690105106 SZIRSNMQAXVHEK-UHFFFAOYSA-N 442.527 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)c2cccs2)CC1 1690144138 NANGIZVKAQCTNJ-UHFFFAOYSA-N 440.573 2.003 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1690190555 YPBAFKOATDQLBS-XBHMSOGKSA-N 434.566 2.289 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1690246753 WUWUQDLSDUIQTK-OEMYIYORSA-N 433.578 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1690255528 RZZIRPVAEBPZJC-DLBZAZTESA-N 425.599 2.029 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690471040 SEYZCBDQEHJRNH-IBGZPJMESA-N 439.564 2.440 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690651235 CSYCSNKZJQQZPT-QGZVFWFLSA-N 430.528 2.219 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cccn3)cc2)C1 1690684453 GDSPEWNIGKIGDV-FQEVSTJZSA-N 435.532 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccccc1C 1690723223 LJIPCVOTDKIQGQ-AEFFLSMTSA-N 431.562 2.336 30 10 IEEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1697733454 FKCNHLAVAMFKAX-LPHOPBHVSA-N 426.521 2.148 30 10 IEEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1697952974 AABHCFLUZNTZLK-CQSZACIVSA-N 436.438 2.358 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@H](C)C1 1698060695 IOXONSGIBHBSMQ-CVEARBPZSA-N 430.509 2.187 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1705571160 WJUJBZQMXRCASZ-IBGZPJMESA-N 440.525 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1oc(CC)nc1C 1705581166 YIAFJIHRXUIXTI-UHFFFAOYSA-N 441.495 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCCC2)CC1 1705645980 MAWVZYGKIKYQOJ-UHFFFAOYSA-N 448.571 2.265 30 10 IEEE C=CC1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 1705780916 KUVHVXPGQUKXCW-UHFFFAOYSA-N 427.640 2.357 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccc(F)cc1 1705901417 LBCOWUOCXUPINX-UHFFFAOYSA-N 440.479 2.474 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C 1705904335 MMLVBWWPTWNZEJ-MRXNPFEDSA-N 448.568 2.268 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1706611086 DPGGLVOODXHZKK-NRFANRHFSA-N 427.484 2.324 30 10 IEEE CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708848694 UFXFLDPGFJPPPD-JRWGXLCNSA-N 435.532 2.417 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1710862208 GZUHUFVMGMFADA-OAHLLOKOSA-N 428.518 2.036 30 10 IEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1711217384 AGIDOAXWVAQWOO-UHFFFAOYSA-N 431.504 2.038 30 10 IEEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1712357633 CARZMGPEVLUOHC-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1722281252 ICDBRLRHFHDRRK-RDJZCZTQSA-N 432.546 2.388 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722311235 UGIWCGNSGLSIAU-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722609290 UZZDWLILVMAIFP-YWZLYKJASA-N 437.541 2.092 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C)C1 1722689677 WFPQESFAADNPDY-OAHLLOKOSA-N 445.593 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@@H]1C 1722693375 LNBHZXOHJQYTDH-NSHDSACASA-N 425.356 2.280 30 10 IEEE CC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1727834261 ZMMSDPJADMOUPV-SGRLSNSRSA-N 428.537 2.152 30 10 IEEE CCN(CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1728511208 AIJAMZCGBMXNJH-INIZCTEOSA-N 425.537 2.047 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740531462 LXXMGJBJAREHOL-CTNGQTDRSA-N 438.576 2.165 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740619916 AVHJTOXRWDRQIK-MRXNPFEDSA-N 444.586 2.162 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)nn(C)c1C 1740676401 BOCHSGTUAMFYKQ-HXUWFJFHSA-N 435.507 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CCCO1 1740685057 IPNLNKYDILXLOI-HSZRJFAPSA-N 439.564 2.107 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2ccc(F)cn2)n1 1740688901 LDPATPXCVDHOMO-HXUWFJFHSA-N 439.495 2.195 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740709908 ODFNOKRJZWOWEA-SFHVURJKSA-N 429.594 2.438 30 10 IEEE C=CC[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)c1ccccc1 1740856931 YTHFQIJTHPJXBZ-RTBURBONSA-N 436.560 2.083 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740863603 BKNXSLMQSYOXEY-RBUKOAKNSA-N 430.597 2.318 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740865901 UAKGYJXDIQOCLO-UHFFFAOYSA-N 431.585 2.387 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740880971 SHTDKGWKIPUWSW-MRXNPFEDSA-N 444.502 2.180 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CN(C)C1=O 1740914514 GHLFGLCIYVAMPD-QHCPKHFHSA-N 430.516 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2)C1 1740992425 PTIDTRMWTSNZBB-PMACEKPBSA-N 446.573 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2cc(OC)c(C)cc2C1 1740993447 AYRKGAMFWZCRFO-UHFFFAOYSA-N 434.562 2.295 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1741136861 VRHOEBFBQLSRLT-WCXIOVBPSA-N 434.541 2.060 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1741247512 LDTMKXKORMFUKO-KLHDSHLOSA-N 425.480 2.350 30 10 IEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1743878644 DHWNAFFQLOQNEM-VQIMIIECSA-N 446.515 2.040 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1744335904 HCOYNBWCSMAMIN-WIYYLYMNSA-N 446.552 2.373 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748658362 QPPIAJBTSOZSQG-RXVVDRJESA-N 433.560 2.217 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1748745139 LSHHHGFNWMLQQR-UHFFFAOYSA-N 430.516 2.421 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764047 GSWUPDZLEUVLHA-RDPSFJRHSA-N 443.592 2.475 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1748809609 ONDFBDRFYXFVLV-DUMMIQTOSA-N 442.541 2.309 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@](=O)CC)CC1 1749334753 MHDGSXVBDVSKDM-SSEXGKCCSA-N 426.550 2.092 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749676232 JIKZPFLLWFHAGW-UHFFFAOYSA-N 448.575 2.296 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CCCC1 1749828578 CPCLFGOMYOEUAK-UHFFFAOYSA-N 446.577 2.372 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCn1ccnn1 1750124415 QHBCSJCCYMBLBL-PMACEKPBSA-N 436.520 2.192 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN(C)C(C)C 1760097389 DRWKGBNQRMQFQN-ROUUACIJSA-N 446.621 2.235 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)[C@H](C)CC 1760110719 RRZAPXGLRNCXSN-VWKPWSFCSA-N 432.594 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1760118157 ZEDDVTKNNPJTTM-DLBZAZTESA-N 445.564 2.426 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1760144244 JADZRACCDGJICA-HNNXBMFYSA-N 430.940 2.093 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1760183892 DLMIKFZAOJAFGV-FGSXEWAUSA-N 443.573 2.315 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1760185224 SOBBGVHIFDMOKL-INIZCTEOSA-N 444.948 2.191 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NC2CCCCC2)CC1 1760256331 NOWMYWPZHKNZOR-UHFFFAOYSA-N 441.967 2.198 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cc(COC(C)(C)C)on2)CC1 1760258360 UHUYPZYRPFMDPB-UHFFFAOYSA-N 437.548 2.390 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSCCCO)CC1 1760263264 UQAOHFLZIIORSK-UHFFFAOYSA-N 438.601 2.221 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760364924 GWOSXIRKGKTZON-QZTJIDSGSA-N 438.020 2.164 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1760685119 MASMCXYAPQGOIX-UHFFFAOYSA-N 439.564 2.175 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1760866203 HTJUPYSJNMURPX-WIYYLYMNSA-N 431.562 2.095 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOCC1CCOCC1 1761212260 KDBWIUVBRROBHM-UHFFFAOYSA-N 432.569 2.380 30 10 IEEE CC1(C)SCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1761566962 IDKCAEZZZIODNG-HUUCEWRRSA-N 427.534 2.186 30 10 IEEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 1761787914 FBGRMFGXYWQUBL-UHFFFAOYSA-N 433.564 2.469 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1cnn(C)n1 1763755280 KSEUZHZIMWJJTN-KRWDZBQOSA-N 434.552 2.146 30 10 IEEE CCCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1764221554 OQXAAUKQYWVYBE-LJQANCHMSA-N 425.537 2.192 30 10 IEEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H](C)C#N)CC1 1765570106 RXECBLYOBMKBFM-KRWDZBQOSA-N 430.626 2.257 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1769475584 LDMKFTBTJCEDIM-PGRDOPGGSA-N 427.505 2.007 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1770504698 DZRUPKOMZVCIHX-JTSKRJEESA-N 444.511 2.028 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1[C@@H]1C[C@H]1CF 1771214434 SHOSTFNSCYWLIB-BPQIPLTHSA-N 429.500 2.126 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1csc(C)n1 1771219738 RIQPVWPLYLPDAU-KXBFYZLASA-N 445.593 2.186 30 10 IEEE C#CCCN1CCN(C(=O)c2sccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 1848495520 ORLKDIKAQWYNAC-UHFFFAOYSA-N 433.555 2.339 30 10 IEEE CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC12CN(S(=O)(=O)c1ccccc1C#N)C2 1848662755 JJERZAVIQXKNOJ-FQEVSTJZSA-N 439.537 2.244 30 10 IEEE CN(C)c1ccnc(N(C(=O)CCCN2CCS(=O)(=O)CC2)c2ccccc2)c1C#N 1852337687 HSKKTPVHCCRVLI-UHFFFAOYSA-N 441.557 2.195 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2=O)cc1C#N 1853828972 RMIQHBWZXQUVLH-UHFFFAOYSA-N 431.901 2.335 30 10 IEEE C=C1CCCN([C@H]2CCCN(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)C2=O)CC1 1855163909 WQTBYMRAPKQKFA-ROUUACIJSA-N 430.574 2.457 30 10 IEEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1856252684 QIBSEQTVAODKBO-GOSISDBHSA-N 431.558 2.134 30 10 IEEE C[C@@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1856408531 RXYCVGDQBVBQJF-HNNXBMFYSA-N 425.938 2.257 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 1861497976 FCNSWRNHHIIOGR-NRFANRHFSA-N 437.540 2.449 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)COc1ccccc1OCC 1861632870 OGELSUQIXOTWHW-FQEVSTJZSA-N 440.496 2.419 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)cc2)cc1OC 1862571624 LIVPDDVNARPOKQ-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCCO2 1862630868 CUOOMZVLEWLWCV-FKIZINRSSA-N 439.420 2.146 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862683914 WGZAVUARPNRHFN-GOSISDBHSA-N 443.387 2.154 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862691382 LNMIOBIOHPMFOQ-IBGZPJMESA-N 438.436 2.108 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862707405 VITIUTCVIDJKGA-YJYMSZOUSA-N 425.437 2.441 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1864330530 UOLOQUCOKIUMAS-KRWDZBQOSA-N 442.516 2.488 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)CC2)CC1=O 1872917431 BCXBIKUFXBCNRR-LPHOPBHVSA-N 443.544 2.154 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccn1C 1874274711 OMLRYQFYBHURIK-AQXNZCSYSA-N 445.593 2.232 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 1890848257 QYDYTQZSEWOIPR-LJQANCHMSA-N 447.601 2.235 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)n[nH]2)c1C 1891543670 FJKULWAHPKTPHJ-UHFFFAOYSA-N 440.548 2.177 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2124535248 WAZQOKZGQBUZNU-YMAMQOFZSA-N 447.345 2.138 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2241480106 IGEYPKXABJSXLW-UHFFFAOYSA-N 431.323 2.099 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247832859 WTVXJJNYDKQKSI-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2247840545 OWYGWWWIMYYOCP-UHFFFAOYSA-N 437.371 2.347 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 2255152304 ZZUIZLOPCZIYME-UHFFFAOYSA-N 440.588 2.227 30 10 IEEE C[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255656480 AZLNMTBXNPOAHO-RHSMWYFYSA-N 431.342 2.366 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267095874 GRQSITOSQYWAFX-ZBFHGGJFSA-N 448.373 2.474 30 10 IEEE Cc1cc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267107638 BDBYYEUWDIZTJS-QGZVFWFLSA-N 448.369 2.218 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267137229 PJFWPLZUSYTLOT-ZBFHGGJFSA-N 448.373 2.426 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)OC1(C)C 2267145050 DBXKLYZEZYBGAU-FHWLQOOXSA-N 436.365 2.492 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267197405 YFORCNKGUIEQEC-UKRRQHHQSA-N 448.373 2.378 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2267219174 BTWVDINSPFXIDU-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(OC)ccc1B1OC(C)(C)C(C)(C)O1 2267503839 KCJUNEOQRLFEIT-UHFFFAOYSA-N 438.333 2.383 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267511031 VXMUTJYXXCSRNG-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1cc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267522287 WCRLHCSDPWKVCQ-STQMWFEESA-N 444.259 2.416 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882323 QXYLRDZDUISQFQ-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE C[C@@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)CC1(C)OCCO1 2282338377 QWDMPGUHQDIJJD-OAHLLOKOSA-N 425.356 2.053 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322257288 SOGHHFXGVCKNPA-BBRMVZONSA-N 438.305 2.438 30 10 IEEE COc1cc(C=CC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc(OC)c1OC 2325559126 RXZISFVXQCZMLX-UHFFFAOYSA-N 426.425 2.289 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1cc(Br)c(C#N)cc1F 2333602086 ATYSFRDLDLGBQG-KFWWJZLASA-N 430.274 2.213 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345735883 LOBJZSALXKNLSE-LJQANCHMSA-N 440.372 2.170 30 10 IEEE C=CCN(CC(=O)OCC)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364205936 ORWQABPONIWUNN-UHFFFAOYSA-N 436.530 2.224 30 10 IEEE CC(C)(C#C[C@]1(OCCC(=O)O)CCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2365242639 BYATYAMAAHWPPG-NRFANRHFSA-N 437.514 2.086 30 10 IEEE CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)[C@H](/N=C/N3CCCCCC3)[C@@H]2SC1(C)C 11616335 NPGNOVNWUSPMDP-YUAJRPMDSA-N 439.578 2.412 30 10 IEEE C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445394 UZGFWZFTJVBSHK-SFHVURJKSA-N 430.574 2.260 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 24242493 VAUPEYJPVICUHZ-GJZGRUSLSA-N 427.376 2.479 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425800 JSPOAXXZCGKGBV-HXUWFJFHSA-N 439.468 2.155 30 10 IEEE COc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2Cc2ccccc2)cc1OC 254668772 GZMDBMPRLAODRV-UHFFFAOYSA-N 434.456 2.347 30 10 IEEE Cc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(O)nc(=O)n3C)cc1 263628470 IZBRHESSCUCOFQ-QGZVFWFLSA-N 448.483 2.030 30 10 IEEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC1 442724858 SRBMOWMPPLMKTP-UHFFFAOYSA-N 444.479 2.450 30 10 IEEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 446111625 AWOCXJAMYGDVNG-SFHVURJKSA-N 435.480 2.009 30 10 IEEE CCCn1c(=O)nc(O)c2c(C(=O)NCCOc3ccc(C#N)cc3)cc(C3CC3)nc21 460278140 AUABKPGIDUUQHK-UHFFFAOYSA-N 433.468 2.465 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)nc1 474329210 MKVPVIRZGPKPFF-UHFFFAOYSA-N 432.549 2.186 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)n1 477636058 PRZIJYJKVGESMX-UHFFFAOYSA-N 448.548 2.029 30 10 IEEE COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC(F)F 480780632 OQTJCRIHKPCRBK-LBPRGKRZSA-N 439.440 2.151 30 10 IEEE CCNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 482678260 WJQNEGMNUCEJFJ-UHFFFAOYSA-N 426.542 2.273 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 502166353 ADZMZKCNZFVXFB-HKUYNNGSSA-N 434.562 2.340 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)ccc1C#N 581045400 URCLDOCKXGJWLE-UHFFFAOYSA-N 427.549 2.089 30 10 IEEE COc1ccccc1[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 588640478 ZWYJQJVLPLLSKJ-INIZCTEOSA-N 428.514 2.344 30 10 IEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C 603800005 OAHWTECTPHAALR-UHFFFAOYSA-N 447.560 2.172 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)CC(=O)N2C)cc1 609701680 RMZRDKYDJSMUSI-WIYYLYMNSA-N 449.511 2.300 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(C)ccc1F 727418531 RZVDBACFQXOYAK-UHFFFAOYSA-N 425.485 2.359 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 731888367 GVPVBLCWVKPJEM-VZCXRCSSSA-N 434.431 2.058 30 10 IEEE CCN(CC)CCOc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 732674307 MCJWCZHYTRTKRO-HXUWFJFHSA-N 429.565 2.298 30 10 IEEE CCCn1c(COC(=O)c2ccc(C#N)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 734599180 GUNLYZRQQPZDLP-UHFFFAOYSA-N 427.486 2.320 30 10 IEEE COc1ccc(CNCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1C#N 746734622 XBCZUDXXKVYICF-UHFFFAOYSA-N 425.485 2.103 30 10 IEEE N#CCc1ccc(NC(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 750427149 WNMPPEFLLQCDNQ-UHFFFAOYSA-N 441.245 2.286 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(CC)cc2)C1 760304739 LLHMVYLGVZFRJW-DLBZAZTESA-N 431.562 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 777192966 BNPYFSBOKOFCKK-UHFFFAOYSA-N 426.477 2.494 30 10 IEEE C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2O)CC1 780178623 ZOLKLEQLDCGEPM-MWTRTKDXSA-N 445.516 2.234 30 10 IEEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 790702153 QMPQOJQZILJOJF-PKOBYXMFSA-N 425.558 2.360 30 10 IEEE C#CCN1CCN(C(=O)c2cc(Br)cc(I)c2)CC1 796428164 HRNIUWNVDGNILX-UHFFFAOYSA-N 433.087 2.445 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC1(CC#N)CC1 797426375 SXMISUDOHBYGKJ-GOSISDBHSA-N 443.573 2.388 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@](C)(CO)c2cccc(O)c2)c1 808820157 VVKIIYAAJAEDOX-GHIWRQRASA-N 446.529 2.234 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)cc1Br 809124827 QOFMRJQJKDTXDB-UHFFFAOYSA-N 441.225 2.327 30 10 IEEE CC(C)CN(C(=O)CON=Cc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 823434876 NXFRLSUSQGEWDY-MRXNPFEDSA-N 431.352 2.471 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)c1 1125256237 FNCCKCMPTQUYJS-QHCPKHFHSA-N 429.517 2.386 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cnccc3C(F)(F)F)C2=O)cc1 1131485083 SXXCLQGQZPRYAY-MRXNPFEDSA-N 431.374 2.493 30 10 IEEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 1134490469 ODDGSSWMJOVIEU-VWKPWSFCSA-N 435.546 2.116 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1134995976 LASYUIWZOUKPDV-SCLBCKFNSA-N 445.463 2.176 30 10 IEEE C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1136689235 AVEVSROWFNUPEC-DYESRHJHSA-N 441.576 2.145 30 10 IEEE CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1140858017 BNISFTYLTNNZLA-WBVHZDCISA-N 435.546 2.134 30 10 IEEE C=C[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1148559722 XDNKKEVGWSMVIG-YPBQGGFRSA-N 436.508 2.424 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1224760974 BQKOKNAHWBFJBQ-UHFFFAOYSA-N 444.395 2.314 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]([C@H]3CCCO3)C3(CO)CCC3)C2=O)cc1 1234022966 CRADNVMKXXXHHK-XUVXKRRUSA-N 426.517 2.063 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCN1CCOCC1 1286337197 BLXFBFRJCMFZGV-UHFFFAOYSA-N 435.370 2.228 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1286388453 PHBWYJWCGRBBPW-MAUKXSAKSA-N 429.571 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@H](C)C1 1286402470 XURNQIGGFNBVGD-MSOLQXFVSA-N 426.542 2.237 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1286546881 BDGINYLQAUWCJU-QUCCMNQESA-N 441.580 2.482 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286589005 QFFJNWHJSUHRRG-UHFFFAOYSA-N 426.521 2.104 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC2)C1 1286811158 AIHVGROOFGTJAV-KRWDZBQOSA-N 430.578 2.147 30 10 IEEE CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1287105312 XAOWAZAEWIHZNY-UHFFFAOYSA-N 449.559 2.346 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CS(=O)(=O)c4ccccc43)C2)C1 1295338116 HNLOGEZBNWRJGL-QYSXUHOCSA-N 445.541 2.418 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)(C)C 1299714204 BRQWZYKNLJEQHP-OTWHNJEPSA-N 427.505 2.351 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1300311329 SBEQKONJBFEOAF-ICSRJNTNSA-N 445.589 2.092 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300489051 ZQFWWRCTVOKEMU-HXUWFJFHSA-N 439.516 2.349 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1300495939 LGFNEVSYKFORMQ-KRWDZBQOSA-N 446.621 2.010 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1 1300672397 ZYWUZWCGHCEEQX-INIZCTEOSA-N 436.603 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](F)COC)CC1 1300726443 LDBAYDBLVRXPID-LJQANCHMSA-N 447.942 2.473 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1301220292 TYKKXQZRBIMMEI-AWEZNQCLSA-N 444.517 2.270 30 10 IEEE COCCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1301539485 IOWWULIPUUHLTJ-LJQANCHMSA-N 425.537 2.192 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2)CC1 1301589429 RRQRHQHTFQAXDM-IBGZPJMESA-N 445.589 2.100 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCOCCCO)n1 1304476189 DNXZRPOVMCPXEJ-UHFFFAOYSA-N 447.543 2.246 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1306714502 LJYTVNVKULOIKM-UHFFFAOYSA-N 437.504 2.049 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)cc1 1309510060 UPFKPIUVMNBDSH-UHFFFAOYSA-N 436.555 2.474 30 10 IEEE CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CCC1 1313980044 BBTPVHNXTXRHNM-SFHVURJKSA-N 435.532 2.044 30 10 IEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1314818156 GGZVPDHJPYFTTK-NRFANRHFSA-N 441.532 2.397 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1324631516 JDAYKQFODSSWRK-QMMMGPOBSA-N 427.891 2.413 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2NC1=O 1338477535 PXCXBLURBQFSIR-BBRMVZONSA-N 433.420 2.057 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358933601 YYPKQJPATDHPPX-UHFFFAOYSA-N 445.589 2.003 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(C(F)(F)F)c1 1358970477 PGONPGQYZNQTCY-HXUWFJFHSA-N 433.434 2.465 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1Cc2ccccc2O1 1359019023 IPCUANDYTMRVEW-CVDCTZTESA-N 426.517 2.020 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1359064374 RFMXQKGLCZPLEL-GSHUGGBRSA-N 443.573 2.447 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC[S@](=O)CC 1359255314 UQPXTOORKFDINL-WJOKGBTCSA-N 440.573 2.347 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1359281389 XWSMZIGEDREDQB-UHFFFAOYSA-N 449.490 2.413 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1c(C)nn(C)c1C 1359294009 HVUPPPUVOYYCDQ-UHFFFAOYSA-N 438.492 2.142 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1359477178 SOQHRLTUBNZPID-DZGCQCFKSA-N 447.337 2.494 30 10 IEEE CC(C)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1360190935 HZRKFEZOKHYHJQ-APFMSCDFSA-N 449.515 2.024 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2ncccc2c1 1360671016 BASWQPSSMDFOKH-OAHLLOKOSA-N 439.545 2.225 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(Cl)cc(Br)c32)C1=O 1436635117 LVGZADHECPRMNS-UHFFFAOYSA-N 440.681 2.359 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)c1 1441630707 MBLKKZQZGTVCTA-HRNVMRTQSA-N 444.488 2.388 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)C(=O)OC(C)(C)C 1442363930 XXQBKPURWZHBTR-UHFFFAOYSA-N 433.936 2.424 30 10 IEEE Cn1cc([C@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2(C)C)cn1 1450239968 TVZWEBAMYJWXJS-RTBURBONSA-N 434.500 2.149 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)n1 1459758155 MBXPKHPUDHGPFL-MRXNPFEDSA-N 439.541 2.462 30 10 IEEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1463090290 LZRVIVYAKMHHHB-NRFANRHFSA-N 429.498 2.275 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC(O)C1 1466017961 KJPBHOKFSGRSKS-UHFFFAOYSA-N 444.532 2.124 30 10 IEEE COC(=O)C(C)(C)c1csc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1466639739 GHHILZBZOVZIHK-RYUDHWBXSA-N 437.522 2.474 30 10 IEEE COc1nsc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Br 1467706431 HBVNQSHJVWXJQA-GFCCVEGCSA-N 435.303 2.317 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 1469772239 XRNJXJMQQCQZOI-FQEVSTJZSA-N 433.917 2.000 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 1470253057 FWVKITBXLZKVCO-UHFFFAOYSA-N 428.533 2.145 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1 1471335713 GTVBCZDJEFCAHG-LJQANCHMSA-N 447.605 2.047 30 10 IEEE C[C@@]1(C#N)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CCO1 1472145278 CTDGRSMUBUPYTM-OAQYLSRUSA-N 443.481 2.013 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)[C@H](C#N)C1 1478403071 HTHQAZXIPYKSCE-HUUCEWRRSA-N 430.534 2.210 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)CCOCC1 1504011854 KSPQUJFHJPONBY-INIZCTEOSA-N 425.480 2.353 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1505131807 RKKOAXDEPOKPBA-NQIIRXRSSA-N 447.536 2.207 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507577559 SKFHSZXDBDUPGS-HIFRSBDPSA-N 431.338 2.412 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1coc(-c2ccc(C)cc2)n1 1507656959 LZOLFNOEXAQNBN-UHFFFAOYSA-N 428.496 2.485 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1507765314 MFVJDVJMIMSWKQ-LJQANCHMSA-N 438.454 2.492 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnccn1 1507806780 JJWCQFPKSJCALG-ZULIPRJHSA-N 428.537 2.410 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507848082 MTXZIKCIMKAHOE-HSZRJFAPSA-N 441.532 2.175 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(N)=O)CC1 1508104811 OMYWGDDQHMQGMK-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1508136482 SQYDOTUYNHQXCS-IBGZPJMESA-N 445.589 2.431 30 10 IEEE Cc1cccc(OCc2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1511196698 DMSIWASBYSWXTI-QURGRASLSA-N 434.500 2.458 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1513168727 CHESXPVDJMYJSY-INIZCTEOSA-N 439.564 2.472 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1519374610 IQTQZNYKGCBLBC-QGZVFWFLSA-N 428.518 2.389 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)c2ccccc2O1 1525003697 AFUJELMBVBFLDX-QGZVFWFLSA-N 430.258 2.240 30 10 IEEE CNC(=O)Oc1cccc(OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1528069649 HHIURWFNMLJUFJ-UHFFFAOYSA-N 443.481 2.283 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3(c4cccc(C#N)c4)CCOCC3)C2=O)cc1 1533082692 GDRJMBGDRRUJOE-DEOSSOPVSA-N 446.507 2.456 30 10 IEEE COc1cc(N2C[C@H](C(=O)N(C)[C@H](C#N)C3(SC)CC3)CC2=O)cc(OC)c1OC 1536467445 OOLQHYCWYFJIRG-CXAGYDPISA-N 433.530 2.311 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1538965482 PCRXRBKCGQUCPT-QGZVFWFLSA-N 443.573 2.430 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1539126585 YSWLIYMSBGDOGE-OKZBNKHCSA-N 431.537 2.368 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539215328 ACUXFFDOLCGSBB-PKOBYXMFSA-N 436.541 2.166 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539218754 CLSMOLMOLKMKOF-OALUTQOASA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539257256 QECYBWPMLBCXLT-HKUYNNGSSA-N 437.548 2.397 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1539383843 MFIQKARDEYUBRW-BBWFWOEESA-N 444.580 2.423 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1539499074 COVCXJHPBATKKX-UHFFFAOYSA-N 435.557 2.177 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539513417 ONLFXPHXCLYZRM-KRWDZBQOSA-N 429.594 2.178 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1539526323 MTQMWWHLJPGOCZ-UHFFFAOYSA-N 434.529 2.015 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC(O)CC2)CC1 1539874050 AKHVLTKQRMGYOD-QHCPKHFHSA-N 433.597 2.179 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539971778 SEXPKCSLAAAYEX-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1540170956 UBCRCNOGABXAAZ-JPYJTQIMSA-N 439.564 2.170 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1543570402 KRKBJFPLKOCCJI-SSMANRBRSA-N 435.532 2.273 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CCN1CCOC 1546725648 DEYZQQMJRUJBKN-HXUWFJFHSA-N 449.563 2.023 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1547236656 FALCSGIRPVMORB-UHFFFAOYSA-N 448.531 2.356 30 10 IEEE COCCCn1c(Cc2ccsc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555498595 LVIZWSIWIBSIPW-UHFFFAOYSA-N 440.577 2.207 30 10 IEEE CCC(O)(CC)C(C)(C)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1560088474 JQMKTSHHPREZFG-UHFFFAOYSA-N 429.521 2.374 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)C(C)C 1564871847 MARYLXKBWDXSSO-GFCCVEGCSA-N 434.381 2.184 30 10 IEEE C=CCn1cc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)nn1 1570505804 UPCHAAZLPAMCOG-IBGZPJMESA-N 428.537 2.106 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1587568147 NQGKYXJGALEGHD-WMZHIEFXSA-N 431.581 2.033 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1587598627 CZYUSWDRBNNUAG-HOTGVXAUSA-N 432.546 2.245 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CCN(C)C2=O)CC1 1587701534 FNCAEVULHODVLJ-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1588210979 RIXQQYRIWBPYQI-UHFFFAOYSA-N 433.537 2.396 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1588276489 NNXVZTZEGXITQF-OAHLLOKOSA-N 435.370 2.226 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CC1 1588765507 IOJPQEWFASOXCT-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCC(C)CC2)CC1 1588923872 OQYGVFOONTWAPN-UHFFFAOYSA-N 449.603 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)C2CC2)CC1 1588947000 JSEWQWGKKCHNLN-XMMPIXPASA-N 439.535 2.135 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1589530532 WJIZSGPOINKBQI-XLIONFOSSA-N 427.553 2.109 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1nncn1C 1593776741 PZCKKDUXPRSREP-KSZLIROESA-N 431.541 2.065 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1595460985 KHQMBESDHFWIOR-BRWVUGGUSA-N 425.599 2.148 30 10 IEEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1613013679 AYDIPVRIAQRPCF-RDJZCZTQSA-N 446.602 2.040 30 10 IEEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCC(F)F)CCO2 1613032775 UYWTXNWUBRMDJT-BTYIYWSLSA-N 433.459 2.483 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2ccccc2F)CCOC1 1616260123 AVUWOJKDSWTIJT-AVRDEDQJSA-N 429.496 2.431 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cc(C)cc(C)c2)CCOC1 1616261619 HWQFKANCYVDDBM-NZQKXSOJSA-N 441.532 2.355 30 10 IEEE CCOCc1nnc(N(C)Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1616689337 HOIJRRZBAMNMHJ-VXPUYCOJSA-N 428.468 2.117 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC1(N(C)C)CCOCC1 1617868609 FOTSFVXEMGTYSV-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1618172933 GWUSLBQCGYVEGP-ZFMNYDKASA-N 436.574 2.031 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)c3ccc(C#N)nc3)c2)nn1 1623553170 YYDRYKNBRQKQPW-UHFFFAOYSA-N 433.472 2.489 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c(F)c1 1626467672 ZTEJGHHWXITSKC-UHFFFAOYSA-N 426.408 2.076 30 10 IEEE COC[C@](C)(C#N)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1631167762 YOKRZAXWTXXBFE-IBGZPJMESA-N 442.467 2.446 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1632829906 DTEQZJVEONQLCB-AEFFLSMTSA-N 425.432 2.079 30 10 IEEE C=C(C)[C@@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)OCC 1632913000 WOEBYGFAISJPPD-MLHJIOFPSA-N 437.537 2.399 30 10 IEEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)CCC1 1635087221 BVJJOWSNBYLXHR-UHFFFAOYSA-N 428.352 2.281 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)nn1 1636330554 HVIJHCHQYPIVCU-KRWDZBQOSA-N 434.541 2.070 30 10 IEEE COc1cc(CCCNC(=O)N2CCN(c3cnccc3C#N)CC2)cc(OC)c1O 1637318674 HHEBMVUPKBZKRE-UHFFFAOYSA-N 425.489 2.140 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCc3nc[nH]c3C23CCOCC3)CC1 1640033951 JKMQSBXVMXQQRB-UHFFFAOYSA-N 428.533 2.451 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 1640849538 IWIWANZQELIUEB-GJZGRUSLSA-N 447.582 2.237 30 10 IEEE CC1(C)CCC[C@@](CO)(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1641655893 YOYFRQHBLPGSDY-JOCHJYFZSA-N 433.574 2.406 30 10 IEEE C#CCOc1cccc(NC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1649401247 LESVCUQQZHAAQF-UHFFFAOYSA-N 432.458 2.049 30 10 IEEE COCCOCCN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 1654083567 BJKUDJDSNGHFIL-UHFFFAOYSA-N 431.581 2.311 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC#C[C@H]3CCCCO3)nnc12 1654854772 HJVMJIMUKPAXDA-MRXNPFEDSA-N 437.525 2.011 30 10 IEEE C=CCCOCCNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1680979132 OHZTZUBZPFZSKQ-OAHLLOKOSA-N 438.491 2.362 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)nn1 1683482841 DJWAOJBNFBGDFS-HNNXBMFYSA-N 428.459 2.187 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)NCc2ccc(C#N)cn2)cc1Br 1686681054 FQRKSGXDKMALLL-OAHLLOKOSA-N 433.306 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1689844414 AZOWZOAOZCJIBO-INIZCTEOSA-N 425.514 2.281 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1689875489 UFKRFJMSNMPPKX-CYBMUJFWSA-N 449.499 2.040 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689881119 GTZFFRUOSFLZPT-MRXNPFEDSA-N 436.969 2.315 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689979410 AIGGJEJSSCABRZ-GOSISDBHSA-N 440.573 2.468 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(=O)N(C)Cc1ccccc1 1690102836 VZVRKFCPYLEWLG-FQEVSTJZSA-N 425.533 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CC)C2)CC1 1690140311 UGWUKHJAOYMHKH-SFHVURJKSA-N 438.551 2.392 30 10 IEEE C=CCCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1690493870 VOAPURHFPRLNIW-UHFFFAOYSA-N 430.597 2.482 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](SC)C1 1690724157 JCVLTCDFKWIOED-SJORKVTESA-N 428.624 2.495 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)C(F)(F)F 1697131009 BFBCGFZMKLQBLT-HNNXBMFYSA-N 427.452 2.353 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705536538 RDEUARBOYUFFMP-IRXDYDNUSA-N 428.562 2.188 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705561959 XGZMKGBIJJHIPH-XMSQKQJNSA-N 430.574 2.110 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1705618456 IESXVNIPIJWHBT-HYFFOGBASA-N 433.553 2.314 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1705716082 YWMAJSPXXWSZJE-UHFFFAOYSA-N 431.447 2.378 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705737483 SHEFBJLHIYLSSJ-MRXNPFEDSA-N 431.497 2.321 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2oncc2C1 1705898440 LYIIPHZRPJKOLX-UHFFFAOYSA-N 428.880 2.460 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccn(Cc3ccccc3)n2)C1 1705914330 LQTAAUIUZIHUSH-OAQYLSRUSA-N 449.559 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCOC[C@H]1C 1705937584 YGNDKZATIIMGIL-MRXNPFEDSA-N 429.546 2.176 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCC[C@@H](C)C2)cs1 1707761185 JJYKVCBPJJLXQJ-JTDSTZFVSA-N 429.594 2.483 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C(C)C)cc(OC)c1OC 1711653572 FJYOWOCAHUQWAA-QGZVFWFLSA-N 444.536 2.040 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1712565045 AQYPIVNMFYGKRE-HOCLYGCPSA-N 437.447 2.088 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1722276026 GWJZRDAKFDUFAQ-STQMWFEESA-N 434.547 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1722279088 AEBFSXUQKGMRCR-CMJOXMDJSA-N 446.515 2.496 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@@H]1OC 1722285467 WDQRLKBEQIYGQJ-WDYCEAGBSA-N 445.951 2.371 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722359453 MSGTWVAQMBFWRZ-GOSISDBHSA-N 426.498 2.222 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722364811 JIZHGCDTHBQFTC-NSHGMRRFSA-N 427.574 2.327 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722371283 IODKDCDBWLMMKQ-FHWLQOOXSA-N 428.558 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)nc1 1722396659 CJKNPFZVTJDXQQ-FQEVSTJZSA-N 431.544 2.126 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CC1 1722425128 NRLJZWALZFDEHU-UHFFFAOYSA-N 448.618 2.220 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC2(OC)CCC2)CC1 1722447489 IQQQNQYBUIKUFY-IBGZPJMESA-N 429.565 2.097 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722462278 LPQLKAHKBPAASY-SFHVURJKSA-N 441.557 2.079 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(N2CCCNC2=O)CC1 1722531303 KUPYQYMZAYVKCK-UHFFFAOYSA-N 427.553 2.260 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1722553951 BKMSBAUPJLOPGY-AWEZNQCLSA-N 432.999 2.035 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722700181 ZDYXBMJWRHCTRJ-LJQANCHMSA-N 442.539 2.195 30 10 IEEE CC(C)(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1722908463 SQLGGYJPZXNFEH-ISLYRVAYSA-N 429.569 2.023 30 10 IEEE CC(C)(C)NC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1722971478 HXSWSIMKJCFXRG-UHFFFAOYSA-N 436.564 2.444 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)o1 1724341162 UEWXKJLIOAUNEZ-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)c(=O)n1C 1724356333 OJWFOIJCUAMMKE-UHFFFAOYSA-N 447.543 2.223 30 10 IEEE Cc1cc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)n(C)n1 1725837720 FMZLBGMBWKUHOT-QGZVFWFLSA-N 434.552 2.281 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1 1731017551 XCKMAHHCSBVBFN-UHFFFAOYSA-N 441.561 2.496 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1740621811 PIQWWDUZTAAOML-SFHVURJKSA-N 439.516 2.463 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740628634 ZFCOBBPWMBFVTQ-VQTJNVASSA-N 449.621 2.022 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740795171 OZNUEJISCBCGOX-DLBZAZTESA-N 432.525 2.459 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1740891251 WLFADYOQXOUGKZ-HNNXBMFYSA-N 434.566 2.275 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 1740963763 WKTYBWZNZNYHQW-OAQYLSRUSA-N 449.559 2.410 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1741134477 BMJUPAIHYKPUNY-SFHVURJKSA-N 435.532 2.126 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1748745676 PCACUAOKUWVSQD-UHFFFAOYSA-N 434.548 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCCC1 1748896771 JYUJESCBWAPVSC-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCN(C)CCCOC)CC1 1748985015 ZCYQOCALAKDXDM-UHFFFAOYSA-N 447.587 2.217 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCNS(=O)(=O)c1ccc(C)s1 1749079976 DMUKDFDHRLKHBC-LJQANCHMSA-N 437.591 2.155 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749456925 NIMDXEDJBINMPM-KRWDZBQOSA-N 426.583 2.168 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749607277 XYEYPYNEQDEGSA-AUSIDOKSSA-N 435.532 2.332 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCCCC1 1749666241 JXMZFKNSOHAYDB-UHFFFAOYSA-N 435.532 2.263 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)cc1 1749686531 BYKIHUDKFQYWOO-JBACZVJFSA-N 439.516 2.344 30 10 IEEE COCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749713413 XRIFWKKXQWNFCL-OAHLLOKOSA-N 434.342 2.249 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1749739916 NHHIETHGWQBNRQ-FXAWDEMLSA-N 426.583 2.298 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCCCN2CCC[C@H]2CO)c1 1750381261 NFTMETYINASEIC-QFIPXVFZSA-N 438.576 2.262 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751084084 GGMFZSYMJVTCPJ-GAVQXBFOSA-N 440.504 2.489 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCc1ccco1 1760101532 RMFAPAZHFGESLT-ZDUSSCGKSA-N 445.321 2.413 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC(C)(C)O)c1 1760128698 PUFPVHGKZXZNED-GOSISDBHSA-N 425.533 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@H]1C 1760217368 ZMKXRVQLKQEKCX-YADARESESA-N 430.512 2.134 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1760219081 UKMJLPFVASHRNG-DHIUTWEWSA-N 433.556 2.318 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)CC1 1760389675 QRZQHXCXMXWDNT-IRXDYDNUSA-N 441.623 2.053 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760524950 OTQVFNYDRVNBGD-SIXWZSSISA-N 431.487 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1760555118 XITJFHGOYZNQEO-SFHVURJKSA-N 436.553 2.470 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1761544487 FISJDTKONWJANA-NRFANRHFSA-N 446.552 2.174 30 10 IEEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1762375396 HLYBLURFLIMAEN-UHFFFAOYSA-N 433.516 2.279 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1768749662 YCJHWQOFEHPPRL-UHFFFAOYSA-N 428.447 2.387 30 10 IEEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOCC(F)F)CCN2C1=O 1769054984 RCFGTAXWDUYXRB-QGZVFWFLSA-N 445.474 2.045 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1770165528 HQHFWQYENXJOAY-CTNGQTDRSA-N 441.532 2.397 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)N(C)Cc1ccccc1 1770173628 RDASIZPPWBOASP-CUWPLCDZSA-N 440.548 2.399 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CCO1 1770941106 SWAQILJVGPKYET-RTWAWAEBSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCc1nc(C)no1 1771298537 PEXPCPXSHUSDOA-DJPFJPOOSA-N 429.525 2.456 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1772566792 VKHIUJXATOBTOJ-INIZCTEOSA-N 429.525 2.322 30 10 IEEE CCCN(CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1772874109 GLNNWHBYDCZIAM-UHFFFAOYSA-N 448.579 2.004 30 10 IEEE C=CCN(C(=O)c1cnn(-c2cc(-c3nc(CC)no3)ccn2)c1C)[C@H]1CCN(C)C1=O 1850380547 WLYXQASIEJQVAE-KRWDZBQOSA-N 435.488 2.047 30 10 IEEE C=CCC[C@H](C)C(=O)O[C@H]1CON(C(=O)CN2CCN(c3cccc(Cl)n3)CC2)C1 1851401578 WKUXEWJRCFAGEK-DLBZAZTESA-N 436.940 2.145 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1)CCC2 1851672589 QYCUKVYGWAIJJQ-SFHVURJKSA-N 431.493 2.216 30 10 IEEE Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1c(-c3ccc(F)cc3)cnc3c(C#N)cnn13)CC2 1853219804 GXNUWWBFYFSSHS-CQSZACIVSA-N 443.442 2.244 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)OC1=O 1856212742 GFXXCDOCHMPZSX-MRXNPFEDSA-N 425.894 2.143 30 10 IEEE Cc1ccc(C(=O)N2C[C@H](CN(C(C)C)[C@H]3CCS(=O)(=O)C3)CCC2=O)cc1C#N 1856664307 LJIRKEAYXHTSTB-PXNSSMCTSA-N 431.558 2.143 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCNC=O)ccc1O 1862420635 PDWOGQXSLMGLDY-LJQANCHMSA-N 446.406 2.393 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c(=O)cc1CN1CC(O)C1 1870699752 WTKYAIGZHIVZQQ-UHFFFAOYSA-N 437.418 2.247 30 10 IEEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/n1c(S)nnc(C(C)(C)C)c1=O 1873495665 YCPDWSPMBJHTHG-ZVBGSRNCSA-N 445.501 2.392 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(O)cc1 1874434060 LCUGGGJYIARWFV-SSDVNMTOSA-N 430.534 2.043 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1912687088 HQGSRJOEKINOFX-UHFFFAOYSA-N 442.144 2.283 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@](C)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1982282283 WQUGXNWYRFPWKK-KPWVOAKYSA-N 431.374 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2067382277 BXVIBHRAZXARJD-OALUTQOASA-N 432.370 2.446 30 10 IEEE C#CCNC(=O)CCNC(=O)c1cc(Cl)cc(Cl)c1I 2188597905 HETBSFZDEWGSFM-UHFFFAOYSA-N 425.053 2.467 30 10 IEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224128915 ZWJZTFKBYHJMQK-HZPDHXFCSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2253627479 BCMDRRLZXXASRB-FIDHJVLJSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255367172 BDBZOSYSJJCJFK-JOCHJYFZSA-N 433.358 2.237 30 10 IEEE Cc1c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255633843 IOFYCDKNJTXVHY-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255703523 UAUYUEFOSGKEMT-NEPJUHHUSA-N 430.232 2.250 30 10 IEEE CN(CCCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2255842373 QLCCYPUAAQNXQT-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE CC(C)(C)OC(=O)NCCOCCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256621185 RINCHZICRKFWMX-UHFFFAOYSA-N 435.330 2.251 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2256678902 RWAWFSYCCZWVFN-BBWFWOEESA-N 434.342 2.407 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267093065 ZTXBKHHEEYLQTO-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)n1 2267097125 MXEQPKWLKVEIKJ-KBPBESRZSA-N 448.329 2.305 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1 2267153524 CFLUUQJWYAKXNY-GASCZTMLSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC2)C1 2267196868 UHQJKEDBFNLGKM-CQSZACIVSA-N 446.357 2.228 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548215 QJTBHOOBTJJYTF-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE CC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(NC(=O)OC(C)(C)C)C1 2267549845 QNGFKVHNSWWYEY-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267589051 UXBDHLONABOBAE-QZTJIDSGSA-N 443.353 2.224 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2267597419 VAYGOMKGIDMHDQ-LESCRADOSA-N 443.353 2.366 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268669126 LEFRHXAKDBYOGU-KRWDZBQOSA-N 446.353 2.415 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268714584 BDHAJVHLRRUGMR-NVXWUHKLSA-N 448.369 2.296 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2282512460 ILQSYSOWCPINQH-VXKWHMMOSA-N 449.360 2.106 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccncc2)C1=C(O)c1ccc(F)cc1 2296139169 XYFCFBXEBIKJIW-FQEVSTJZSA-N 425.460 2.365 30 10 IEEE COC[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C=CCN1C(=O)OC(C)(C)C 2314775249 IVLQFQJCRNXEOB-GBXCKJPGSA-N 440.544 2.415 30 10 IEEE Cc1nc(C(=O)N[C@@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2320450577 YNRUZTKWGZRILN-KRWDZBQOSA-N 446.378 2.448 30 10 IEEE CCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)cc1OC 2330772691 BBGUKOLEARSHIM-UHFFFAOYSA-N 449.533 2.249 30 10 IEEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2365210365 YOLHJOMGYLXGTA-DXIQSLLYSA-N 436.574 2.001 30 10 IEEE COCCCn1c(=C(C#N)C#N)s/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1=O 2646908 ZYGKGESOZPFPPU-ODLFYWEKSA-N 436.449 2.141 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCOCC3)cc2C1=O 15996421 ZRZMURBTUBZADR-QFIPXVFZSA-N 449.507 2.281 30 10 IEEE C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)OC)=C(N)Nc1ccc(Br)cc12 20569000 YZJORLFFPIAWKH-IBGZPJMESA-N 449.257 2.016 30 10 IEEE CC(=O)N1C2=C(C(=O)c3ccccc32)[C@H](c2ccc(F)cc2)c2c1n(C)c(=O)n(C)c2=O 33679132 VVDRELSBSXLGDF-KRWDZBQOSA-N 431.423 2.329 30 10 IEEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 111047880 CPEABDVHDRWBFD-LJQANCHMSA-N 439.537 2.308 30 10 IEEE COCCn1c(=NC(=O)c2cccc(F)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 252667414 DBOJUNKJJQDEPM-UHFFFAOYSA-N 431.427 2.356 30 10 IEEE C[C@@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)n1cnc(C#N)n1 409777905 SCSNULPUTPBZOL-BUXKBTBVSA-N 445.451 2.298 30 10 IEEE CC[C@H]1NC(=O)N(c2cccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2)C1=O 436492582 NAGZZDMCASSIJD-GOSISDBHSA-N 433.472 2.142 30 10 IEEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCCOc2ccc(C#N)cc2)cn1 438308635 YEUWJDKZSVHLOG-UHFFFAOYSA-N 425.470 2.348 30 10 IEEE Cc1ccc(C(=O)NCCN2CCc3c(Cl)cccc3C2)cc1S(=O)(=O)NCC#N 443555318 BUTTYDTZODQRCC-UHFFFAOYSA-N 446.960 2.238 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 446629801 BSUAIPXJPGHHLT-UHFFFAOYSA-N 427.549 2.397 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 482221529 FERHQTYTKHINSV-SJLPKXTDSA-N 442.541 2.019 30 10 IEEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H](COC)Cc1ccccc1 482507083 IALMXZDGRQLVSQ-YLJYHZDGSA-N 429.542 2.331 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3c3ncccn3)C2=O)cc1 490279749 QYGLEEGOKAZYDL-KJJMTIBFSA-N 444.539 2.403 30 10 IEEE Cc1nn(-c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)c(C)c1Br 503643087 MNYZHZQGDANSOW-UHFFFAOYSA-N 430.306 2.450 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cn2)CC1 512643956 YWJWCVRPZULCPP-HSZRJFAPSA-N 447.587 2.143 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccccc1 526035910 TXVCDTRFOMXQAO-FQEVSTJZSA-N 430.529 2.457 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCN(c2cnccn2)CC1 554931330 WJSXHFZTZISNRL-UHFFFAOYSA-N 438.561 2.351 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 563773535 DPRGBULSMOIKHT-OAQYLSRUSA-N 445.479 2.310 30 10 IEEE N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1F 563844163 ZVRLDRCGZHICJQ-UHFFFAOYSA-N 433.421 2.144 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585765132 JQBPZPREJGDOSE-UHFFFAOYSA-N 443.891 2.051 30 10 IEEE C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 603745717 CICPTNGDLJXADP-INIZCTEOSA-N 427.530 2.189 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 610847651 CCUBMVXUIHDBNZ-UHFFFAOYSA-N 446.504 2.312 30 10 IEEE CCc1c(C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)nnn1Cc1ccc(F)cc1 619219661 GHVGBPLLCSYVIZ-UHFFFAOYSA-N 430.447 2.463 30 10 IEEE CCCCCC(=O)NC1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726588030 BIYPEQAHHSYTOH-UHFFFAOYSA-N 425.533 2.441 30 10 IEEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730716914 BRMKXWGGYFKAGF-IUODEOHRSA-N 444.492 2.101 30 10 IEEE Cc1nccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCO3)n1 735223478 BNQGKPOJCMLQKS-SFHVURJKSA-N 439.497 2.314 30 10 IEEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1NC(=O)OC(C)(C)C 737200225 ZXVAAARVJZEMTP-MRXNPFEDSA-N 443.504 2.179 30 10 IEEE CN1C[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CCC1=O 738903227 LQKZGCGIIWKOLE-CYMZXICGSA-N 435.550 2.022 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 741729960 INVHVIDVUGUIII-UHFFFAOYSA-N 434.493 2.217 30 10 IEEE C=CCC(CC=C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 759006215 DAQGMCSGLGAYBV-SFQUDFHCSA-N 432.542 2.443 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnc(Cl)c(Br)c2C)CC1 760049195 HWRHXNHJVQUQER-UHFFFAOYSA-N 430.734 2.258 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 763595932 RHPGTGGKUWLOSM-FUHWJXTLSA-N 428.537 2.430 30 10 IEEE C=C(C)Cn1c(SCC(=O)OCC(=O)N2CCOC[C@H]2C2CC2)nnc1-c1ccco1 766121606 OWBQEIUOUHIWRH-INIZCTEOSA-N 446.529 2.387 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 766383196 QYBIDLMZGXCYSR-FMQUCBEESA-N 447.333 2.010 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc([C@@H]4CCCOC4)c3)CC2)o1 767009804 XICPWSNCTAEHKJ-LJQANCHMSA-N 438.484 2.254 30 10 IEEE C#CCOc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771271129 YWAAWKWZIGUWMU-DEOSSOPVSA-N 435.480 2.099 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3ccc(C#N)c(Cl)c3)c2=O)c(C)n1 781662466 RXNIWCRFYDKXMU-UHFFFAOYSA-N 447.907 2.471 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC[C@@H](OC)C(F)(F)F)cn1 786686873 CKYDSRSLWDWPLR-UONOGXRCSA-N 447.483 2.471 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)n1 789131987 HCXGZSRBTBPKIP-UHFFFAOYSA-N 443.573 2.174 30 10 IEEE Cc1cc(C)c(N2CC[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)c(C)c1 789323015 HMVRSFZPCICUMU-HXUWFJFHSA-N 439.537 2.320 30 10 IEEE C=CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 790285020 MLJFSRAXQONYGB-SFHVURJKSA-N 432.546 2.381 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1Cn1c(=O)oc2cccc(Br)c21 794634139 YYVVBDWGWFWJQW-LBPRGKRZSA-N 429.278 2.187 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 796915727 HAOIENRBFCBYHI-PKOBYXMFSA-N 432.521 2.438 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)n1 806742647 RMAPXQMSCCRTDC-UHFFFAOYSA-N 433.459 2.312 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 809926708 PZGTYLYYIMKENN-WMZOPIPTSA-N 443.552 2.500 30 10 IEEE C#CCN(c1nnc(CCC2CCCCC2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812382459 IISXHRONHAHWEA-UXHICEINSA-N 434.606 2.454 30 10 IEEE CCCn1c(=O)n(CCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc21 916178922 UZFFOFLTMWXSPG-UHFFFAOYSA-N 426.498 2.121 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(F)c3F)c2=O)c1 1116409696 AZHCNCBTZKTMFO-UHFFFAOYSA-N 425.460 2.388 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OC(=O)CN1CCC[C@@H](C(=O)OC)C1=O 1124209269 ORLJAHDAHOROCN-GFCCVEGCSA-N 439.262 2.036 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnc3n2CCOC3)c1 1125245130 LLMDEEILOZLBJT-PTGBLXJZSA-N 431.518 2.259 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1Cc1ccccc1 1129829345 WPLXJHDDMFLSAP-GOSISDBHSA-N 426.542 2.225 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(-c2ccccc2)c1C(F)F 1130305015 XPAWHQCVMAABKA-UHFFFAOYSA-N 431.424 2.487 30 10 IEEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 1130952069 CIAQXMFUNSFVGK-HNNXBMFYSA-N 438.513 2.191 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)C1=O 1133693829 QXRQUGONGOWYPS-FQEVSTJZSA-N 448.317 2.350 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](C(F)(F)F)CC2)CC1 1175875442 XCANWFRFKYKBSV-MSOLQXFVSA-N 428.430 2.188 30 10 IEEE N#Cc1ccsc1NC(=O)CN1CCC(n2nncc2I)CC1 1196125582 RUWOIUFVJDQVDZ-UHFFFAOYSA-N 442.286 2.091 30 10 IEEE N#Cc1csc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)n1 1255898886 XTWLUDHEMAWKJY-INIZCTEOSA-N 431.543 2.081 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCS2)c1 1286309635 NYGKFAUUSHNSIO-QZTJIDSGSA-N 438.557 2.181 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCCC1 1286358699 ODLMJPROLOUBJC-UHFFFAOYSA-N 430.622 2.335 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1286390481 AJBBJCMCEBXICX-OALUTQOASA-N 438.594 2.209 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1286395995 UWAHSGJTOZXXEJ-NQIIRXRSSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCC(=O)Nc1cccc(Cl)c1C 1286397909 DOIPCWNGHUAROQ-UHFFFAOYSA-N 440.935 2.480 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C#N)o1 1286462792 WETRNMIETGEIEH-UHFFFAOYSA-N 429.440 2.193 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1286480586 NSKIWGGAYARKEY-WOJBJXKFSA-N 426.565 2.213 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1286495470 WVTMHQFUGOHIOG-NLWGTHIKSA-N 429.565 2.301 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](COCCOC)C1 1286560643 HIRZKXAYVLXOOY-GGPKGHCWSA-N 428.537 2.206 30 10 IEEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286613022 NKOJKNYZSWJTAU-KRWDZBQOSA-N 446.939 2.317 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286704848 HMSGRGQVKNDSKC-CEWLAPEOSA-N 430.597 2.475 30 10 IEEE C=CCN(c1nnc(COc2ccccc2F)n1CCN1CCN(C(C)=O)CC1)C1CC1 1286740101 XCHFNPLNFKDZGX-UHFFFAOYSA-N 442.539 2.315 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCNC3=O)cc2)cc1 1287894750 XOEZGQRRKBWRNY-UHFFFAOYSA-N 440.525 2.219 30 10 IEEE COC(=O)C[C@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1293933191 PSQVDUGBRBSZQU-AQZMIJIOSA-N 437.562 2.280 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1295608152 LVSRZIPOVPZDAX-GQIGUUNPSA-N 430.567 2.089 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1297769278 VWDFMHCXLSIMTL-HKUYNNGSSA-N 444.561 2.047 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(Br)cc(I)c1)C(=O)OC 1299179434 YRSCECNQRKFTBP-LLVKDONJSA-N 436.043 2.348 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1noc(C2CC2)n1 1299310878 GBHAFHXEIKRSNF-OAHLLOKOSA-N 431.518 2.059 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1Cc1nnc2n1CCC2 1300513025 PWUYMVKYOKXXKS-UHFFFAOYSA-N 436.317 2.366 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1300635542 QEDRAUIWJKDRCY-FQEVSTJZSA-N 437.544 2.384 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](OC)C(C)C)CC1 1300689017 OXPMUBOUQPMYLG-NRFANRHFSA-N 427.549 2.389 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](CC)C1 1300848477 GFASLYFBDYSZSG-BFHYXJOUSA-N 433.372 2.093 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCCO1 1301479274 YDBVBGCUQIFBQR-LJQANCHMSA-N 440.548 2.455 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCO[C@H](C)C1 1305754574 FXIDHKIMQTYTOK-VGOFRKELSA-N 449.575 2.139 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1)OC 1305845341 CCLLRGCMZIKFLW-SFHVURJKSA-N 426.521 2.116 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)c1 1307328002 VVRJOGVBRLNDGZ-UHFFFAOYSA-N 441.491 2.131 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 1312934334 MNTGXTMPBUWKEB-KRWDZBQOSA-N 446.460 2.124 30 10 IEEE Cn1nccc1[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1314933024 UORMBADTFBEWIJ-FQEVSTJZSA-N 435.532 2.333 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1315531513 HOKGDPGXZZLALD-HTAPYJJXSA-N 444.511 2.028 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)Br)C1 1316526425 JYTOIQQKAKNCBW-CQSZACIVSA-N 444.215 2.355 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCCN2CCOCC2)CCO1 1316539035 MTMKEKBUUROKJE-KRWDZBQOSA-N 430.940 2.440 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1349209297 WVOHNACEXSPOSF-LBPRGKRZSA-N 433.262 2.411 30 10 IEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1358963525 JQBNKIUVVAKFDM-VQIMIIECSA-N 430.530 2.217 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2Br)CC1 1359035990 KAABZDCCXVFVIT-QGZVFWFLSA-N 430.350 2.348 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1359064715 YTUITPMVGZYTCO-BBTUJRGHSA-N 436.626 2.002 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](CC(N)=O)C1 1359077881 NLRZZLJWEMTELF-UONOGXRCSA-N 430.347 2.003 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCOC)CC1 1359098029 WTWPFFBWWFWCTO-FXAWDEMLSA-N 430.553 2.292 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359122506 YCOFVHJVWSVDJJ-HNNXBMFYSA-N 439.532 2.489 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359208976 YEMFWVLMLYTTLG-MJGOQNOKSA-N 433.578 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@@H]1C 1359293434 PTALOEFSBCOXHQ-LBPRGKRZSA-N 439.383 2.290 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1359336355 MWLCSBOFGCCYNH-UHFFFAOYSA-N 446.621 2.415 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)ccc1F 1454259343 ISZXKTKJQDCOEM-SFHVURJKSA-N 435.496 2.086 30 10 IEEE C#CCN(CC(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)OC(C)(C)C 1455764714 KBHMCTFASYRPST-CYBMUJFWSA-N 429.443 2.232 30 10 IEEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1456224796 VUQUTMVNSPPEDW-FCQWJQKHSA-N 447.557 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)C2)C(=O)C1 1467267998 YHFICSAEOIPGNT-DWKCODDLSA-N 430.549 2.387 30 10 IEEE O=C(NCCS(=O)(=O)C1CC1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470519681 QBNMAOFDAIYYAF-RKDXNWHRSA-N 444.344 2.376 30 10 IEEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(Cl)n1 1471203233 JGZKLWZDGNLAPU-UHFFFAOYSA-N 433.921 2.131 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)N3CCC[C@H](O)C3)CC2=O)cc1 1471761003 AYGKCHLIARNGIP-HKUYNNGSSA-N 432.480 2.147 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)c(OC)c1 1471984048 NXTGHAFXJAONQQ-MSOLQXFVSA-N 449.511 2.426 30 10 IEEE C#CCOc1ccc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)cc1 1472567261 WBXWDQDSRQNDAX-UHFFFAOYSA-N 449.511 2.285 30 10 IEEE COc1cc(Br)ccc1[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478447097 CNPMFAYDTUZLTD-PEBVRCNWSA-N 442.335 2.098 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1501566912 UWCLZDXUMFKVJF-ATZDWAIDSA-N 429.546 2.255 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C#N)o1 1502208604 XXGQELNAVTYLMX-UHFFFAOYSA-N 429.502 2.338 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)CCC1 1502397339 AGAHPXIQPPTHPF-IBGZPJMESA-N 449.559 2.086 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C[C@H](C)O1 1504720405 FXHNCFLEVDSZOJ-JXFKEZNVSA-N 433.516 2.398 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)NC1CC1 1507514145 PKJKQPBJKUWOQU-OAHLLOKOSA-N 442.951 2.378 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1CCN(C(=O)OC)CC1 1507619377 JWZOAQXZCXJRTA-UHFFFAOYSA-N 427.505 2.414 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1507650728 RPWCNTDHGGLYNO-IRLDBZIGSA-N 447.539 2.411 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1507654453 GPMNBMHEVIANHX-UHFFFAOYSA-N 427.892 2.426 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCn1cc(Br)cn1 1507709481 XAILHXNCNGFMIN-UHFFFAOYSA-N 430.310 2.085 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cn(CCCC)nc2C)CC1 1507732941 ZCCQZMFTMOVLIF-FQEVSTJZSA-N 425.581 2.281 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2C)CC1 1507885268 WBUOFDZNUWKQDB-FQEVSTJZSA-N 445.589 2.319 30 10 IEEE C=CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1507997300 UFRBVZGUEUXSST-UHFFFAOYSA-N 438.557 2.375 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1508094671 ZGNJHBLOLHVTSW-UHFFFAOYSA-N 442.539 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)C1 1508109840 VLDRXVJHKXFILJ-RTBURBONSA-N 430.597 2.416 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1508162491 ORPLKVXXLCZBTM-KRWDZBQOSA-N 427.534 2.452 30 10 IEEE COc1ccc(Br)c(C(=O)NCCCNC(=O)Cc2ccc(C#N)nc2)c1 1521863336 BRMYTJCYERBJOG-UHFFFAOYSA-N 431.290 2.203 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)C3(C#N)CCSCC3)CC2)c(OC)c1OC 1532053556 VMJOHDAMLRAPBR-UHFFFAOYSA-N 433.530 2.034 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1539011958 DDDSWBGMRKKFLW-HIFRSBDPSA-N 437.363 2.449 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(C)S(=O)(=O)CC 1539171215 ITBOANZUXSCSCH-UHFFFAOYSA-N 442.545 2.341 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539223061 ZBQNZZHUIVODHZ-PMACEKPBSA-N 449.621 2.022 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1539371568 WGLGIIGTUOAVBR-VQIMIIECSA-N 430.530 2.217 30 10 IEEE C=C(C)Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733715 MIWDIFZXNMOBBH-HRCADAONSA-N 441.598 2.494 30 10 IEEE C=CCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540021905 WHJTYWLLDWKNHT-KNQAVFIVSA-N 430.553 2.387 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540054876 XCRWQUKCZRZYPI-AWEZNQCLSA-N 441.504 2.450 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1)C1CC1 1540094799 KBEBCIAAZNDWSC-MRXNPFEDSA-N 441.561 2.277 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCSC(C)(C)C1 1540871631 PWXMNWDKARQBLJ-QGZVFWFLSA-N 429.546 2.425 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)C1 1540891223 RBIPRWGIOLXBEK-SQNIBIBYSA-N 430.578 2.375 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1540894974 IHDCYEGPALWNSX-NOXFTYBFSA-N 428.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)C(C)C 1540897370 HRENKIUYCLKUCD-UHFFFAOYSA-N 435.550 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)CCOC 1540900423 VFPXIAKMASPPMJ-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)Cc1ccc(O)cc1 1542948765 FFSCTXUYCZGXAM-GOSISDBHSA-N 444.509 2.231 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1542995738 FAMQTRXWTCVHJL-UHFFFAOYSA-N 433.564 2.469 30 10 IEEE COCc1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1544246131 VCBHCORHDAAPER-CQSZACIVSA-N 425.876 2.086 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1546394306 BCOYOXXPKLGVKS-UHFFFAOYSA-N 438.511 2.277 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1547259100 AXTVHODNMHDTFN-INIZCTEOSA-N 426.521 2.259 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1554460821 AZWFAKIDYOITSZ-UHFFFAOYSA-N 426.912 2.329 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1555049498 LQBZTTGRXAGEAT-OAQYLSRUSA-N 447.561 2.145 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1555995794 DUNWUGVFOJYCMM-QGZVFWFLSA-N 426.496 2.481 30 10 IEEE C#CCN(C(=O)CN1C(=O)c2ccc(C)cc2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1558370615 PTWMRSAUIVUDKE-UHFFFAOYSA-N 439.512 2.452 30 10 IEEE CC1(c2nnc(-c3cccc(F)c3)o2)CN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1560016544 IODZDWWIUNGKCX-UHFFFAOYSA-N 427.461 2.190 30 10 IEEE COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCC(=O)NCc1ccc(C#N)cc1 1560121894 LWNFATXNMXFXGG-GOSISDBHSA-N 435.402 2.447 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccc(F)cc2Br)n1 1561531416 HIDNQLJHKRDDFA-UHFFFAOYSA-N 444.326 2.396 30 10 IEEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1586573418 QBMOSIVNWXRRSD-RBUKOAKNSA-N 444.580 2.295 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1587567475 GJQMWFLBPYPYIO-QMHKHESXSA-N 444.532 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1587668109 SRLFPQVPHJGJPB-RTWAWAEBSA-N 449.603 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1587677675 KKUDQBXBWMKMJV-PONJGIIJSA-N 430.553 2.286 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1588029020 CBNWVECCXIALPR-ZBFHGGJFSA-N 437.591 2.240 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588030092 PINDKTAJAFBHSK-SFHVURJKSA-N 432.594 2.188 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588064238 DOGAIALEVHGVIW-NZSAHSFTSA-N 428.558 2.160 30 10 IEEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1)C1CC1 1595058949 XXMOQMLEGCOKBU-UHFFFAOYSA-N 444.530 2.466 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1 1595075263 BVEFABZDKCZSBP-UHFFFAOYSA-N 448.527 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595760940 VFIYNMQSILGJFZ-UHFFFAOYSA-N 449.552 2.104 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)(C)CC2)nnc1[C@@]1(OCC)CCOC1 1595830818 HUIAXGARYGLAAF-HXUWFJFHSA-N 426.583 2.157 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1596823491 UUFOXERANNWNBB-FUHWJXTLSA-N 428.512 2.402 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CCO2)c1 1598448557 JNXUPXLIMIKOMM-SJLPKXTDSA-N 431.539 2.059 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1611778901 SURVJRIJPBEETC-YVHKJVDXSA-N 426.521 2.411 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 1612144293 DCFUTXPKNQKXRN-GOSISDBHSA-N 447.561 2.108 30 10 IEEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cn1 1615010117 CNDJQIYLJNWSJQ-UHFFFAOYSA-N 431.500 2.327 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1619909626 FBVDQYXMPQRIQG-BCDXTJNWSA-N 441.536 2.495 30 10 IEEE O=C(CN1CCC(O)(CN2CCCCC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1620661778 MUNYLZOMSNWISS-UHFFFAOYSA-N 437.506 2.486 30 10 IEEE COc1ccc(C2(CNC(=O)CCn3cc(C#N)c(O)nc3=O)CCCCC2)cc1OC 1628078043 GCEOSSAVBYWUED-UHFFFAOYSA-N 440.500 2.246 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 1634714006 OENFMULZJDWWFE-OLZOCXBDSA-N 429.443 2.326 30 10 IEEE C#CCC1(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)CCOCC1 1635115339 CGLDYVQGFARFPO-UHFFFAOYSA-N 436.249 2.435 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)=NO1 1638911461 TUTHIRHUMHMVPY-CVEARBPZSA-N 428.493 2.026 30 10 IEEE COC1(OC)CCOC[C@@H]1NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1640954593 SDMMMWWLBVEVPH-RBUKOAKNSA-N 445.516 2.287 30 10 IEEE C=CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(=O)OCC 1641631348 KSTPGOVFMXNUDP-KRWDZBQOSA-N 428.533 2.407 30 10 IEEE CN(CCN1CC2(CCOCC2)C1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1650619437 ULDGSTYNGRPDQU-UHFFFAOYSA-N 447.377 2.328 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cccc(CN3CCCCC3)c2)c1=O 1652137012 UNZDZPMLXHNPIK-UHFFFAOYSA-N 438.528 2.258 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnnn2-c2cccc(NC(C)=O)c2)c1 1652594832 GWBCNEFGWNEAHC-UHFFFAOYSA-N 435.469 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1689827215 BISTXFFYYLKDIP-UONOGXRCSA-N 425.942 2.079 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cnn(C)c1 1689924623 NNUZCGGMKXFLQK-UHFFFAOYSA-N 426.550 2.022 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689987742 BOONHWJGRGEHOI-QGZVFWFLSA-N 431.537 2.036 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCc2ccccc21 1690003703 VDCOTAJWLXLGOQ-CPJSRVTESA-N 433.556 2.454 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1690085910 JZHQYCAGAYZGRE-UHFFFAOYSA-N 432.546 2.293 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690237811 AWVVDEQITQMYER-REWPJTCUSA-N 439.560 2.468 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690313135 LYJPHNGASMEKQS-UHFFFAOYSA-N 427.615 2.320 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccco2)C1 1690685223 YNAZPAHBQMZAQR-OPAMFIHVSA-N 438.488 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCc2oncc2C1 1690720273 DKOOAQUTVPTJND-UHFFFAOYSA-N 429.502 2.105 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCCO[C@@H](C)C1 1690726565 DQDFZBIEGZXHHQ-SFHVURJKSA-N 443.573 2.497 30 10 IEEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1692797313 FBTQXVQPZYSSIY-RDJZCZTQSA-N 430.459 2.489 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705498624 YSVXVXPWPXDXMM-QGZVFWFLSA-N 438.557 2.020 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705522345 BQDPAYDBIONBDN-UHFFFAOYSA-N 426.565 2.299 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705531396 IGCSOJKIJZWJGG-HUUCEWRRSA-N 442.545 2.265 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1705531760 VMFFHFBUEXSLFX-UHFFFAOYSA-N 440.529 2.021 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCCC)CC1 1705641253 XYWUIGSUIADFQT-UHFFFAOYSA-N 431.544 2.251 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1705900237 VMTZSFVXAXGULZ-UHFFFAOYSA-N 438.488 2.436 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2cccc(F)c2)C1 1705908666 GPKCWBXITQTWDC-WFXMLNOXSA-N 443.523 2.437 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)nn(C)c2C)C1 1705917895 YZUVNRSVBHNFLM-WMZHIEFXSA-N 444.580 2.499 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC[C@@H]2C)C1 1705919110 XMRDCXFWWMRLGE-OALUTQOASA-N 427.549 2.456 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)C1 1705924682 FMFYMRSJSVVUQE-RTBURBONSA-N 438.594 2.168 30 10 IEEE C[C@]12COC(=O)N1CCN(c1nnc(COc3ccc(C#N)cc3)n1CC(F)(F)F)C2 1706965770 LCBOHIKTLOVFRJ-SFHVURJKSA-N 436.394 2.322 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1712090974 DLBCQFJHYFDCOV-HHXXYDBFSA-N 447.561 2.138 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722286804 KIYFTLUWDRXZQQ-OAHLLOKOSA-N 432.546 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCCO 1722292296 IOYMRHKYQCOTTD-QGZVFWFLSA-N 438.532 2.093 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN2CCOC[C@H]2C)c1 1722306991 IEYFFUBOGOIIBA-GOSISDBHSA-N 436.560 2.008 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCc1cnccn1 1722333264 JAPUZOMAXZGAHV-UHFFFAOYSA-N 431.548 2.334 30 10 IEEE C#CCCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722338794 MSAPDXJDDVWERE-HSZRJFAPSA-N 431.581 2.473 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN(C)CCOC 1722347534 JXBONMFEUJOENK-UHFFFAOYSA-N 436.354 2.364 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722367494 NMEZTDUKMAXUNF-MOPGFXCFSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CC(C)C)N(C)C 1722375913 USRPBJPEOWVRTI-FQEVSTJZSA-N 441.601 2.398 30 10 IEEE C=CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722611211 UEWIVGYOESIKNC-PXNSSMCTSA-N 426.583 2.298 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1722632042 FRDKMXZRHLKOCX-UHFFFAOYSA-N 427.530 2.026 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(Cl)ccn2)nnc1[C@@]1(OC(C)C)CCOC1 1722704328 QZGIPIXSMAJDEO-OAQYLSRUSA-N 448.955 2.306 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2CCCO2)CC1 1722725266 HRGZUQLNRPTDHJ-IBGZPJMESA-N 433.578 2.280 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCC1 1722865286 GNCDABNGBBGFBG-CQSZACIVSA-N 431.518 2.237 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1722867752 HVBQOLTXZDMZGX-WMZOPIPTSA-N 426.521 2.294 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726604789 QMEHKBXHDDEMSI-JPWUFHEYSA-N 427.896 2.366 30 10 IEEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729246436 RVZYVSUPURWMTN-SQDCYFTFSA-N 443.573 2.390 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1730608050 CGZQDKFNIIFGQZ-KRWDZBQOSA-N 427.436 2.361 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC(C)CC1 1730956659 RRANNEBMBMDFMU-HBMCJLEFSA-N 446.596 2.243 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2CCCO)C1 1731179458 CFHMXMJGCZFWTC-OXQOHEQNSA-N 433.919 2.282 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1740542480 WFEWWJMSWAZPKO-RBUKOAKNSA-N 433.564 2.499 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740580400 XCKSGTAQAUCFCV-IBGZPJMESA-N 425.533 2.190 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCSC1 1740644329 BMDUKBSPHXJKKR-QHCPKHFHSA-N 437.569 2.478 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C(=O)NCC)CC1 1740700409 RSWBMQXWZDGWDW-RTBURBONSA-N 444.624 2.114 30 10 IEEE C#CCSCCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723733 TUZAJGCWRVOVRE-JOCHJYFZSA-N 443.573 2.348 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCn1cc([C@H]2CCOC2)cn1 1740725911 RCWOZZPFEUCNIM-SFYKDHMMSA-N 442.564 2.395 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc(C)no2)CC1 1740736290 HQXHOQPVCNNIIK-UHFFFAOYSA-N 438.330 2.400 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@@H]1C 1740762254 SDHQFDHONWLEBI-AVEIZBFRSA-N 440.635 2.492 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740796648 FITQJEGFHLVYRZ-QFIPXVFZSA-N 429.496 2.305 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOCc2ccccc2)CCOC1 1741731076 FYKJFBJNKJOIOB-OFNKIYASSA-N 441.532 2.264 30 10 IEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1743882960 OZIDCVYTQMMLHR-NSISKUIASA-N 438.532 2.435 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1745883173 AFBQJVDKTXKBLT-IBGZPJMESA-N 432.532 2.413 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 1746435358 RIBVLDWMNXCWAZ-DENIHFKCSA-N 437.592 2.458 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1746523794 AWEJXQZFLAPDRA-UHFFFAOYSA-N 438.580 2.256 30 10 IEEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748783220 IKIIABUFCIPBTI-SOLBZPMBSA-N 426.521 2.367 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748816130 XKJGRFDLKJQDGV-LJQANCHMSA-N 428.558 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccnc1OC 1748841992 CRNKCWHFSPBCJL-UHFFFAOYSA-N 425.452 2.119 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nnc2n1CCC2 1748956510 FORREEFJEYOMTE-UHFFFAOYSA-N 441.923 2.279 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCCCOC)c2)CC1 1748990042 UHGZDMJQYZTKTK-NRFANRHFSA-N 439.560 2.001 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(Cl)nc2)CC1 1749017085 VKUFORYQMIKVHY-UHFFFAOYSA-N 449.946 2.326 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749218607 QDYQVSVABHAWGA-IBGZPJMESA-N 429.521 2.267 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749285826 YXSSVCIBAZWYFI-ULQDDVLXSA-N 425.961 2.448 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749378367 XNIDBYGANKLRTQ-BHIYHBOVSA-N 428.512 2.386 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CCN1CCCS1(=O)=O 1749587545 ZBQNBCIFYDUVNZ-UHFFFAOYSA-N 430.534 2.137 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1749670765 VMLIONZOZQQPHS-HXUWFJFHSA-N 440.548 2.157 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC[C@H]2COCCO2)c1 1760125132 FTJXLHUZJIXUCG-NRFANRHFSA-N 446.511 2.202 30 10 IEEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760134250 GMAQVPCQQFCCJL-UHFFFAOYSA-N 434.544 2.020 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760142551 GKHNCNGSESPQPF-NFBKMPQASA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760180532 GYRDGEYMKRDYBH-RBUKOAKNSA-N 430.574 2.218 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(OC)OC)c2)CC1 1760263870 SAXDQJVBUPAYNL-HXUWFJFHSA-N 425.533 2.225 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCSC2)CC1 1760264244 GMZVLBNEBIYJAF-SFHVURJKSA-N 427.574 2.374 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](OC)C1 1760279934 BOJVFOLJXXETNB-GOSISDBHSA-N 427.578 2.044 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1 1760303403 MOMSWMKMYZNNIQ-CYBMUJFWSA-N 435.282 2.464 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 1760520603 TVEGELSALVVWNF-UHFFFAOYSA-N 439.438 2.150 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760525855 USVIGSATNOBYHD-IERDGZPVSA-N 431.562 2.007 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760526090 DEOCRMXCQMPNBT-UHFFFAOYSA-N 438.532 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1760775249 PTXNBURRSXBBKQ-IERDGZPVSA-N 434.516 2.481 30 10 IEEE CCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)cs1 1762786525 FRVCWWXEEIEOEK-UHFFFAOYSA-N 436.545 2.345 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCO1 1765306697 DCNYQPLMUGNIRR-GOSISDBHSA-N 426.521 2.259 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1766666845 BMXPXDALWUXMDG-NRFANRHFSA-N 443.529 2.188 30 10 IEEE CN(CCC(F)(F)F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1768832220 CNNNPRCCRNFSDC-ZPTIMJQQSA-N 428.415 2.045 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1ncc(C)s1 1769836551 ACLHDHBLKCALCR-HNNXBMFYSA-N 431.566 2.449 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C1 1770727537 GUCNDJJEWKSAQR-KSSFIOAISA-N 437.401 2.328 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1770980278 YJNUOAUSYYQBMJ-QHCPKHFHSA-N 434.500 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(C(=O)ON2C(=O)c3ccccc3C2=O)nn1 1772788344 ZXHYUVNDDPCUKW-ZDUSSCGKSA-N 441.444 2.046 30 10 IEEE COc1ccccc1-c1cc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)n[nH]1 1851259595 KNPDYUNCVRWEKO-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE COc1ccc(-n2cc(CN3CCN(C(=O)c4nc(C)cc(C)c4C#N)CC3)nn2)cc1F 1851646550 FFZWKNKZTYZOFS-UHFFFAOYSA-N 449.490 2.257 30 10 IEEE C=CCN(C(=O)c1csc(N2CCN(c3ccccc3)CC2)n1)[C@@H]1CCN(C)C1=O 1852271217 UWWQOOJMSONOCX-LJQANCHMSA-N 425.558 2.329 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCC[C@@H]3C(=O)N3CCc4ccccc4C3)cnc2c1C#N 1852661433 LMRGDFSQXPVOAZ-OAQYLSRUSA-N 428.496 2.407 30 10 IEEE C#CCOc1ccccc1C(=O)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 1852665414 NCHTVXWRAPGDGF-UHFFFAOYSA-N 430.508 2.434 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C)[C@H](C)C2=O)cc1C#N 1854142394 UIMWKOUSDGUMSA-OAHLLOKOSA-N 429.473 2.376 30 10 IEEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1=O 1857485924 TWXDTRDJGZSCDY-MSOLQXFVSA-N 439.965 2.129 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1-n1cc(/C=N\NC(N)=S)c(-c2ccc3c(c2)CC(=O)N3C)n1 1857807812 AVGOTVCEVHFXQM-RMORIDSASA-N 449.496 2.442 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858318559 MTWSNIZRRNKOJC-SFHVURJKSA-N 433.555 2.225 30 10 IEEE Cc1c(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)cccc1[N+](=O)[O-] 1860887843 GJQPAXVAOCVWJR-UHFFFAOYSA-N 447.411 2.489 30 10 IEEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)CCc1ccc(OC)c(OC)c1 1861081431 BYFUDIDYXSAZSR-SFHVURJKSA-N 435.565 2.473 30 10 IEEE C#CCOc1cn(CCCN(C)C)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870561721 ADJDISAWWKUUDQ-UHFFFAOYSA-N 426.536 2.273 30 10 IEEE C=CCn1c(C(=O)NCc2ccccn2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873594844 DHGRRSDLVUGGDD-UHFFFAOYSA-N 434.500 2.286 30 10 IEEE Cc1cc(C#N)c(-n2cnc(I)c2I)nn1 1981051293 DFBMFGBLLRXEPS-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 1991983417 HRTYJAYYGJXCIY-CQSZACIVSA-N 425.526 2.086 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(N)c1 2162916162 PZMILLVVWBNWCB-GOSISDBHSA-N 428.514 2.468 30 10 IEEE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCN 2186639201 YKLZTSDEAIKJPQ-OAHLLOKOSA-N 445.566 2.115 30 10 IEEE CC1(C)OB(c2scnc2C(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2241475683 CJXFMMFGIXPGLB-UHFFFAOYSA-N 431.323 2.099 30 10 IEEE CN(OCC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243675641 ZAPUNOSLVNDHTP-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)C1 2247536777 YDXDZIFPYHTTNZ-QWHDWNGZSA-N 431.455 2.351 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904510 OUDORZGPSCODDR-BZUAXINKSA-N 442.387 2.491 30 10 IEEE COC(=O)[C@@H](CCNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 2247912871 MUIDEYWIRULLIH-CYBMUJFWSA-N 426.319 2.185 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2248482143 TTWONAGHMAQFTC-NWDGAFQWSA-N 438.252 2.107 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255377732 QUYMEGVOFQANEJ-OKDNKWQNSA-N 431.342 2.473 30 10 IEEE CCn1cc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652851 AEBOTTRHFTYPIL-ZHACJKMWSA-N 434.346 2.013 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255880685 JPKRRAFFEBFZBY-GJZGRUSLSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(N)=O)C1 2266709285 SOUGVBBBALBUEH-JOCHJYFZSA-N 447.341 2.015 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267140950 GUAIKPDVCNWNIP-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267272245 YFECZOXOEDVQPZ-HOTGVXAUSA-N 449.332 2.458 30 10 IEEE COCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2267273569 OPGMXXOVHUPZOM-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267516071 XYJCBFVBHFFWNN-SFHVURJKSA-N 438.381 2.313 30 10 IEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267520092 KHFYUWZQBREDIN-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE Cn1nc(C(=O)N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267547629 MTBHCSXIRNQTTH-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)o2)OC1(C)C 2267556631 GHTAJHCEACKPFY-XQQFMLRXSA-N 442.243 2.250 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873748 RPDHHRHQGHTTRP-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268643049 JABFULQCAUMQQW-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE C[C@@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268721965 SNDHOSKNMJNNJT-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H](c2cccnc2)C1=C(O)c1ccc(Cl)cc1 2296549787 ZJQUMZQFHQLJBN-NVXWUHKLSA-N 432.885 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300337010 ALQFWCWURSYQRG-UHFFFAOYSA-N 439.343 2.067 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2319943810 KCKFAPHULOVJRS-QAETUUGQSA-N 435.374 2.279 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2326103117 JYWZLJIQBNLYDR-CMCWBKRRSA-N 440.544 2.407 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339467590 FZHICHVRSYGDKH-UHFFFAOYSA-N 443.353 2.499 30 10 IEEE C[C@@]1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1CC2=NO 2381957144 LJSJLUZTNPIHOJ-LRAJWGHMSA-N 433.530 2.391 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 14896579 AFZPXDAXKZUVGZ-UHFFFAOYSA-N 437.493 2.462 30 10 IEEE C=CCOC(=O)c1sc2nc(CN(CC(C)C)C[C@H](O)COCC)[nH]c(=O)c2c1C 36206768 OXURHUPSALOWBI-HNNXBMFYSA-N 437.562 2.491 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1OC 59015388 WVTLNQKXICKWDO-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(F)c1 102757780 ZETOWEXRFHRACD-GOBJLOIFSA-N 442.491 2.310 30 10 IEEE Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cccc1S(N)(=O)=O 470843882 HXSLOCWIWDWGNF-UHFFFAOYSA-N 426.498 2.478 30 10 IEEE COc1ccc(C(=O)NCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 473584080 WVNQNVNSIIVZQH-HXUWFJFHSA-N 426.904 2.487 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 477634885 BQRGAHVUXHVYQF-AWEZNQCLSA-N 429.502 2.029 30 10 IEEE CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 480137687 VYLLZEIZRCLYII-UHFFFAOYSA-N 444.543 2.420 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1OC 502698300 JGHYDFZYBCXVHT-HSZRJFAPSA-N 445.516 2.250 30 10 IEEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 506915829 WWEUGAOVFAIEOP-MSOLQXFVSA-N 448.520 2.214 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)s1 520897007 JZOOAWRFUCDBFD-UHFFFAOYSA-N 439.537 2.444 30 10 IEEE COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 546208784 DFRCVDTZKOSBFQ-NRFANRHFSA-N 435.528 2.456 30 10 IEEE Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(Br)c3C#N)C2)n(C)n1 561544991 GSHSTSZLOVESOH-ZDUSSCGKSA-N 438.351 2.310 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(C)c3)c2=O)n1 572546438 FQKXVYCFGFXQEM-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 586044666 SETWPUINRRGTOO-HXUWFJFHSA-N 425.510 2.137 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609211998 ANMNTSOXEPRMSG-OAQYLSRUSA-N 427.549 2.054 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 673738426 DFMUNNMDHPYSSR-LJQANCHMSA-N 425.533 2.110 30 10 IEEE Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143115 QZRZXQYMKAOYOJ-SFHVURJKSA-N 429.546 2.491 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)CCN1C1CC1 732705742 GBDILHKXZZYJDH-QFIPXVFZSA-N 429.524 2.387 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCNC(N)=O)c1 736107709 HSEGCSGCKYVKLQ-UHFFFAOYSA-N 436.921 2.119 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 744389509 HUNQTIDIBLJUMK-UHFFFAOYSA-N 440.504 2.119 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1coc(S(=O)(=O)N(C)C)c1 756290556 AHAQATOYJPRNJH-AWEZNQCLSA-N 449.485 2.031 30 10 IEEE C=CC[C@@H](NC(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757468918 JQPNKSQQWCRXOH-YCRPNKLZSA-N 438.480 2.422 30 10 IEEE CO[C@]1(C(=O)O)CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757472582 XVCMZVCZZIYPGN-RUZDIDTESA-N 448.475 2.231 30 10 IEEE COc1cc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc(OC)c1OC 759873181 RPFLFPKITVRGDZ-UHFFFAOYSA-N 445.541 2.180 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cnc1Cl 760377183 GVBLHVRFTFALGK-OAHLLOKOSA-N 431.945 2.174 30 10 IEEE COc1ccc(N2CCN(CCNC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)CC2)cc1 761672085 GCLDNKNJUBAWAD-XMMPIXPASA-N 449.555 2.472 30 10 IEEE C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1CCCn1ccnn1)c1cccs1 784126062 NJUYTZJLLIRQET-NGVZPXPBSA-N 432.575 2.460 30 10 IEEE N#Cc1ccc(C(=O)NS(=O)(=O)c2cc(I)ccc2Cl)cn1 789523211 SPMBTLCPXZSKPK-UHFFFAOYSA-N 447.641 2.330 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(N2CCCCC2)C1 794202985 LQFPUTCSKVPLKL-FAFZWHIHSA-N 432.590 2.417 30 10 IEEE N#C[C@H]1CN(C(=O)NCCOc2ccc(I)cc2)CCN1C1CC1 801061020 CXVPYIARQWVVQF-HNNXBMFYSA-N 440.285 2.052 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)CC2)c1 803922592 RWGPDVMDGQLDHR-IBGZPJMESA-N 448.516 2.230 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1ccccc1 805272421 NDTCBKPMHYVSEX-PKOBYXMFSA-N 429.542 2.004 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2CCOC3(C2)CN(C(=O)OC(C)(C)C)C3)c(OC)c1 814665607 ZWLSHIISPOHTMV-LJQANCHMSA-N 448.560 2.485 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)ccc3OC)n[nH]2)cn1 1084281784 DYKOVIZKCDKKQF-UHFFFAOYSA-N 442.505 2.381 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1127912999 MISVRICMWWAALC-IERDGZPVSA-N 426.477 2.492 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)c1 1137322140 SERYTYRKNDNIJJ-SFHVURJKSA-N 432.448 2.297 30 10 IEEE C=CCN(C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)[C@@H]1CCS(=O)(=O)C1 1142059551 ROKPNRBKTLHGQM-MRXNPFEDSA-N 448.545 2.174 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)n1 1143259533 MIODAQZUVMSSHE-UOJUARBOSA-N 439.588 2.094 30 10 IEEE Cn1c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc(=O)n1-c1ccccc1 1156208207 CXBWPSRNCSBIQP-INIZCTEOSA-N 449.898 2.370 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)s1 1157532469 VCNFREIVKUMXPW-GOSISDBHSA-N 431.539 2.227 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCO[C@H]3C=C)nnc12 1161486866 NBBOTBOZIOKAIN-YOEHRIQHSA-N 425.514 2.030 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1S(=O)(=O)NCC#N 1163701617 PDFLHRNEGVCOFC-UHFFFAOYSA-N 428.514 2.435 30 10 IEEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1194088822 WOUDMKHVYJHIDK-SECBINFHSA-N 426.716 2.495 30 10 IEEE COc1ccc([C@@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)cc1F 1196614658 PIFAGAAPDMGLIL-QGZVFWFLSA-N 427.480 2.141 30 10 IEEE COc1ccc(NC(C)=O)cc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1212343565 FXRYHZGJKFOWNC-UHFFFAOYSA-N 442.541 2.468 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)C2 1213579429 BDPQQISOOWGSPB-MRXNPFEDSA-N 436.534 2.038 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CCN1Cc1ccccc1 1265116195 VHTWZHDVIDLQKF-FQEVSTJZSA-N 431.456 2.085 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286397465 ZOLLKFNRFLGMHY-FHWLQOOXSA-N 436.578 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(C(N)=O)nc1 1286432321 FOLOPLGWPKMZIT-UHFFFAOYSA-N 437.507 2.286 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)CCC)CC1 1286475019 VCSMOGHHCVCZDY-HSZRJFAPSA-N 427.549 2.269 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286504632 UGDQBBFFFKTCAT-IBGZPJMESA-N 439.589 2.289 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1286758362 LISUDTPCNSMOCD-IBGZPJMESA-N 443.573 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286814685 DSIIXIGONPIFKO-APWZRJJASA-N 429.546 2.421 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1286963323 OYJGDUXWOFLHKD-KSSFIOAISA-N 432.488 2.077 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2c(I)n[nH]c2C)c1OC 1293084061 MCQGFINMCCOIGB-JTQLQIEISA-N 426.214 2.335 30 10 IEEE CCCN1CCC(N(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1294675470 ZYXMZBJVOUYZER-FMQUCBEESA-N 443.596 2.413 30 10 IEEE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H]1CCCN(O)C1=O 1298543388 QMPNXABABQPUEQ-IXJPEXDMSA-N 425.557 2.226 30 10 IEEE CN(CCC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1298646252 GJXFBCVUIJIHKH-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 1298773570 ITHHMWOULWDCTC-ROUUACIJSA-N 444.532 2.118 30 10 IEEE CC(C)(C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(C#N)cc1 1299740570 BZQLZQITPPUOPM-UHFFFAOYSA-N 425.554 2.383 30 10 IEEE CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)CC(=O)O[C@H]1CCOC1 1300012618 ADKYUUOTQNPXQT-ZJOUEHCJSA-N 441.528 2.412 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C(C)C)N1CCOCC1 1300289282 HOZHHSPNUMMLDH-MJGOQNOKSA-N 425.533 2.489 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300384783 VJGZMBDNVUSYNA-GPMSIDNRSA-N 449.552 2.407 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC(C)CC1 1300459354 BUXPOZGHSAWXKS-UHFFFAOYSA-N 429.594 2.040 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCn2ccnc2C1 1300512578 YCYKYDGLGAKJFI-GOSISDBHSA-N 430.512 2.494 30 10 IEEE COC(OC)C(=O)N1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 1300599956 COBMEBXZEKZHRW-UHFFFAOYSA-N 427.432 2.393 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2csc(C)c2)CC1 1300684917 CMTTYXMGIVUKNF-JOCHJYFZSA-N 429.590 2.492 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301258714 YUCXRJLWBVCQCS-IBGZPJMESA-N 432.613 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1301578553 DIRUXZVDSPWDKH-ZWKOTPCHSA-N 446.577 2.120 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1301609991 QXVHIFQRTQXSGX-KRWDZBQOSA-N 445.568 2.399 30 10 IEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1301621403 XSDAZJUTHPDVSV-KRWDZBQOSA-N 433.553 2.436 30 10 IEEE CCC(O)(CC)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1305856365 BTYYEBNOJHHWFP-BBWFWOEESA-N 448.568 2.329 30 10 IEEE CCC1(CC)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1305895472 SIPJWHSLLJFVOJ-RJCBAWPRSA-N 428.537 2.325 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2c3cc(F)ccc3OC[C@H]2CCO)CC1 1307892323 HVXVPLYTZXUFRS-IEBWSBKVSA-N 444.532 2.246 30 10 IEEE COC(=O)c1cccc(CN2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)c1C#N 1308107404 PCISBUARNUFLJL-SFHVURJKSA-N 443.500 2.187 30 10 IEEE N#Cc1csc(CNC(=O)N[C@@H](CO)c2ccccc2I)n1 1313350490 IUSRKRNXKZYQFK-LBPRGKRZSA-N 428.255 2.152 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(Cl)c1 1316208306 CCRILOGEWJIYBN-GOEBONIOSA-N 435.912 2.441 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358924310 SBAWUIKXEVYAOF-KRWDZBQOSA-N 426.908 2.485 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@H]1CCS(=O)(=O)C1 1358956441 FZTAEPQDZJDAKM-CMKODMSKSA-N 447.630 2.358 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1358963249 FDFXCTXCPKYMRR-HXUWFJFHSA-N 447.649 2.368 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359034811 DDWCGUMMNDUAEF-NRFANRHFSA-N 444.624 2.164 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C 1359066364 YLWPUPZRUFQPLR-JOCHJYFZSA-N 443.573 2.113 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccco2)C1 1359333780 JODYXCIRIHLQHQ-KRWDZBQOSA-N 427.530 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1359335311 HRVCHPOFPDMPSP-UTKZUKDTSA-N 440.610 2.403 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(C)(=O)=O 1359591713 FYNJOXOHRLQRNY-CLCXKQKWSA-N 427.546 2.073 30 10 IEEE C=CCC1(C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)CCOCC1 1435396932 QGBIASVWHDOAAD-UHFFFAOYSA-N 432.517 2.370 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1)c1cc[nH]n1 1449985513 SUKXCEOFSWSNEL-NSHDSACASA-N 432.868 2.443 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 1452517017 VDKRNELTFFONPC-GFCCVEGCSA-N 437.424 2.205 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)c1cccc(Br)c1 1452935505 HZDLQHJZLDTYOC-UHFFFAOYSA-N 430.320 2.026 30 10 IEEE C[C@H](CN(C)C)[C@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1454133901 XMMKLFNLWFALDM-LSTHTHJFSA-N 425.533 2.342 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccc(OC)c3)CC2)c1 1454402682 PRXQDFHRUMFNMR-UHFFFAOYSA-N 426.538 2.450 30 10 IEEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n[nH]1 1460952678 CURCBFMYCCCJLU-QUCCMNQESA-N 447.543 2.452 30 10 IEEE CC1(C)C[C@H](N(Cc2ccccc2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CO1 1461538500 ACUFYIZIEHAFGU-KRWDZBQOSA-N 427.526 2.321 30 10 IEEE COC(=O)[C@@H](CC(C)(C)C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1469381448 DCBUWKILMNLFOW-MRXNPFEDSA-N 437.562 2.380 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)on1 1470501333 TWIYHBXCMKUWON-UHFFFAOYSA-N 440.481 2.472 30 10 IEEE C#C[C@H](NC(=O)N[C@H](CO)c1ccccc1I)C1CCOCC1 1470864977 LWAOCZSMVXDEJZ-JKSUJKDBSA-N 428.270 2.052 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C(F)(F)F 1471161872 OROHVIMKCINTOD-GJZGRUSLSA-N 433.452 2.460 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 1478685438 FHYDYVPHUPMOTG-UHFFFAOYSA-N 437.496 2.383 30 10 IEEE CNC(=O)[C@@H](CNC(=O)NCC1(C#N)CCOCC1)Cc1ccc(C(F)(F)F)cc1 1478917385 WHVHVKQTBBPNSJ-OAHLLOKOSA-N 426.439 2.230 30 10 IEEE COCc1n[nH]c(CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1478931106 DYEXXRHHLVTRCH-KNVOCYPGSA-N 437.291 2.264 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](F)COC)C2)CC1 1502334611 LRQIUDMVDDTEKK-RTWAWAEBSA-N 441.555 2.017 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1504437239 AZTSIJYCROBHOV-GOTSBHOMSA-N 438.532 2.474 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1507539051 QRXDNRPMULLUAR-JSGCOSHPSA-N 426.464 2.298 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCn1cncn1 1507544185 SQFIZHHNQFCROB-CQSZACIVSA-N 430.310 2.369 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1507548648 VQTRCKJJUHNNKC-SOAMZJECSA-N 431.581 2.150 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507640638 UUMMEDXBCITNIH-SFTDATJTSA-N 442.585 2.115 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCN2CCCC2)cc1 1507652159 DSZIRYYZHKKPAZ-QFIPXVFZSA-N 433.556 2.378 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCOCC1 1507681090 RGTSTEILTAAQJR-UHFFFAOYSA-N 431.562 2.082 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(F)cn1 1507712108 CLCDCACCSYEKGW-UHFFFAOYSA-N 433.447 2.262 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507748229 JDNGFKHMMFYCNJ-LJQANCHMSA-N 428.606 2.429 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507768109 LNYSOBFONGSVBY-PRHHBONVSA-N 428.581 2.109 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508079039 MPYHRBNHIRLZMZ-INIZCTEOSA-N 449.515 2.072 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1515902952 SHNIBXDCKKCBSD-VIZSFHNOSA-N 447.628 2.158 30 10 IEEE Cc1nc(SCC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c(C#N)c(C)c1C 1534677894 KBYIOVQPBUJKTO-IBGZPJMESA-N 425.558 2.383 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539216886 YBWCUMUERWUOIN-DLBZAZTESA-N 441.557 2.336 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539237507 FTUZCSCXSNHBJZ-CPJSRVTESA-N 447.539 2.056 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)N2CCCC2)CC1 1539460054 UDKYFLRLSWASPH-JOCHJYFZSA-N 438.624 2.015 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCOCC1 1539645605 RKECNJWIRPCVDQ-LPHOPBHVSA-N 431.562 2.478 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1539967868 VOVJJSPXWOUKEK-HNNXBMFYSA-N 433.525 2.203 30 10 IEEE CC[C@@](O)(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1540647741 HVCDGFFFLLVEAL-JOCHJYFZSA-N 427.526 2.079 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1540889576 PJPODQAXPRFLAC-INIZCTEOSA-N 444.536 2.348 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1540929156 BOJJQBXWAJXLEW-ROUUACIJSA-N 436.574 2.474 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCS1(=O)=O 1541106896 CGZDMYXGVBSTOC-RHSMWYFYSA-N 432.506 2.416 30 10 IEEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)nn1 1543112463 JEUNPVVYLGQFRR-ZDUSSCGKSA-N 432.362 2.235 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(C#N)C1 1552871034 KHKLMCVKZVBFIK-QFIPXVFZSA-N 426.521 2.382 30 10 IEEE COCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1555416833 ALZQKYSVQJQPDQ-QHCPKHFHSA-N 449.515 2.221 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 1556121965 ZIXCQSLHGVZVKW-SFHVURJKSA-N 435.546 2.149 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 1564957942 LMEVPWDTGMALQY-VYDXJSESSA-N 427.339 2.499 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cncc4nc(C(F)(F)F)[nH]c34)C2=O)cc1 1568505174 OOFGWCQDTDERRS-AWEZNQCLSA-N 428.374 2.379 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccn3ncc(C(=O)OCC)c3c2)ccc1F 1585260242 ZCTICSBAXRCCBC-UHFFFAOYSA-N 446.460 2.367 30 10 IEEE CC(C)CNC1(CO)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585874602 BXIMFKHVDLBTDL-KRWDZBQOSA-N 432.952 2.164 30 10 IEEE CCN1C[C@H](CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)Oc2ccccc21 1587535571 QKEHTIDVKIRXHK-HNNXBMFYSA-N 431.489 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC=C 1587555939 KYZSXOUQFGAFSW-QGZVFWFLSA-N 429.546 2.206 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCCN2CCCO)c1 1587684224 UETLURWZPMMSJI-OAQYLSRUSA-N 438.576 2.305 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1587898181 JHZKHXXOSQKRQN-BZSNNMDCSA-N 444.536 2.500 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCS1(=O)=O 1588660198 SIBLNOXFBBDQDL-IBGZPJMESA-N 434.537 2.061 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(NC(C)=O)cc2)CC1 1588800603 KZFJNDAZZJITQL-UHFFFAOYSA-N 429.528 2.296 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1589047822 KHQBEOFWFIOPNX-QGZVFWFLSA-N 428.562 2.123 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1589110054 OXMVYZHKRTWHDR-SFHVURJKSA-N 445.593 2.221 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1589528217 DLCCSRZPMNUJCG-PZJWPPBQSA-N 430.597 2.175 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1594625983 JXYFDHMKRIAPMU-IRXDYDNUSA-N 439.582 2.251 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(C)OC[C@@H]1C 1595507068 VQRJIJQGWUBIAZ-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595595812 ZQUOPNZDKXBNFK-LJQANCHMSA-N 427.496 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1595788711 HQZJJSGANBPBML-OALUTQOASA-N 443.573 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC=C(Br)C1 1595798045 LWQSPTHCXLEYNR-CQSZACIVSA-N 445.383 2.262 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1597813215 RHOPZNRUMFCPQQ-QGZVFWFLSA-N 432.571 2.094 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CCO[C@@](C)(C#N)C3)c2)c1 1598178811 QTISDFYBTYLQLU-QFIPXVFZSA-N 425.441 2.416 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)cc1 1608220090 WINNGLNKHHGYCF-UHFFFAOYSA-N 449.573 2.460 30 10 IEEE CCN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1615240030 SZXDDCVNRYDPHG-YGCDDZCOSA-N 428.537 2.467 30 10 IEEE CCS(=O)(=O)c1cnc(O)c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 1621068117 WVDFEWJOJJDKRD-CQSZACIVSA-N 429.376 2.474 30 10 IEEE C=CCC[C@@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1624303737 LXYMONJMRIURKZ-HOLBHBGLSA-N 430.567 2.149 30 10 IEEE COc1ccc(C(=O)NCCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cc1 1625063795 WJFDLBZEMSUAHU-UHFFFAOYSA-N 438.333 2.463 30 10 IEEE N#CCc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 1627487437 LDTGXQNEYCUFNC-UHFFFAOYSA-N 427.404 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC1CCS(=O)(=O)CC1 1630087131 XSQHRMYJSWUJLE-SFHVURJKSA-N 433.530 2.086 30 10 IEEE CC1(C)[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H]1N1CCOCC1 1639629814 CPCSDXZMYGDLBD-RBUKOAKNSA-N 447.377 2.372 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1c[nH]nc1Br 1640100403 QZDMZWXISCIMSG-UHFFFAOYSA-N 440.323 2.410 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 1641376455 YBESGOQWSOYJFI-WOJBJXKFSA-N 431.558 2.137 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(c4ccc(C#N)cn4)CC3)C2=O)cc1 1646082504 RWSGXHPYZZXNSK-OAQYLSRUSA-N 442.479 2.436 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H]3CCCOC3)nnc12 1648935971 MLBVQSSDRIIZLX-OAHLLOKOSA-N 427.530 2.255 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 1651550400 FGXOBLLHAVFFKE-SWLSCSKDSA-N 433.452 2.122 30 10 IEEE C=CCCC[C@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1652017024 JFMPAVFGWLBMER-WNNBVUDTSA-N 430.567 2.149 30 10 IEEE C[C@]12CCN(CC(=O)N(CCC#N)CCC#N)C[C@H]1C2(Br)Br 1659400821 HSROZBYIEFNCHW-OCCSQVGLSA-N 432.160 2.470 30 10 IEEE CCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCN(CC(F)(F)F)C1 1659612257 MPKQXTIYKRXKGS-DLBZAZTESA-N 443.539 2.415 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1674887177 CHBHIQQVKLVPGD-OAHLLOKOSA-N 448.372 2.438 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1679245315 ZMPRHHOYWNTGQA-OAQYLSRUSA-N 428.510 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682021118 AFNOBSNZJDIYMW-WZONZLPQSA-N 441.532 2.358 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)O2)C1 1687097526 IUXGGMKWAUHCBL-RBUKOAKNSA-N 426.517 2.493 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1689935962 ZADZTVGWMHAGFD-HXUWFJFHSA-N 446.559 2.399 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689982243 JYZKKWXLEFYONU-CRAIPNDOSA-N 435.981 2.175 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1690003220 HNLVVYYJCFSKKN-LGVFNWMJSA-N 427.593 2.371 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1690021119 IQZLNBRZUGLCDD-VWLOTQADSA-N 449.624 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)CC1CC1 1690021377 SODRMTNLTLENMK-UHFFFAOYSA-N 432.496 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(COC)CCC2)CC1 1690145950 BPEVTUFPJRPELY-LJQANCHMSA-N 429.565 2.302 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690502801 HBPLGKLNVLBDCQ-GOSISDBHSA-N 441.532 2.366 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1690526683 BUHADQZEQMVIOB-JKSUJKDBSA-N 441.598 2.352 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OC)c2)C1 1690684317 CWEOYHSIZCOSOG-QGZVFWFLSA-N 429.521 2.263 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1691005681 DKQVMWMIXBCRSD-HOTGVXAUSA-N 436.557 2.343 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1705603262 PYTSCIXSJIJJNT-HKUYNNGSSA-N 445.951 2.373 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCn2cc(C)cn2)CC1 1705642068 FQVGBFKLXOZWHD-UHFFFAOYSA-N 433.560 2.434 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)cc2OC)CC1 1705644110 YLZOLWXRSOTGMH-UNMCSNQZSA-N 439.560 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705649462 YPFJALVBCFOFQA-GAJHUEQPSA-N 426.565 2.047 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705661430 BGAIUQURLCXIQJ-MRXNPFEDSA-N 431.587 2.172 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)CC1 1705769475 TYLPQDDMWSJURG-ZWKOTPCHSA-N 449.552 2.158 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705814157 FDQAWXYCJITWTN-UHFFFAOYSA-N 441.536 2.466 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1705843723 MHFOSPUTGLNHIL-IBGZPJMESA-N 426.546 2.096 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705906939 UHFATRUKQXKVFV-RBUKOAKNSA-N 426.565 2.387 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nnn(C)n2)C1 1705920280 UTVPCQQPZFUEAQ-OAHLLOKOSA-N 445.325 2.061 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1705920714 CZIMXLATXBOHRU-LPHOPBHVSA-N 432.546 2.170 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCCO1 1706073838 RGKVPYVGPPDPEY-JKSUJKDBSA-N 430.509 2.187 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1708254491 HOLXSPGVFYWCBE-JFIYKMOQSA-N 426.521 2.101 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@](C)(O)CC)c1 1722307638 RVGIQROTOSRONN-DEOSSOPVSA-N 432.528 2.481 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCn2ccnn2)c1 1722310547 WSILHTWMEYGZJC-HXUWFJFHSA-N 448.531 2.258 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1722357984 UXNFFYIDWSHROQ-SFHVURJKSA-N 440.548 2.475 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365478 DTRCWKFXFDDRIM-FQEVSTJZSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCC1 1722394204 PKOJUMLCXYVYQG-UHFFFAOYSA-N 444.539 2.443 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1722499256 HJQRUGVMGPGHPV-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1722523075 YSYGBIDKAMUTSU-INIZCTEOSA-N 426.525 2.075 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722551908 HBGGRTLVTVRERB-OXJNMPFZSA-N 443.983 2.005 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722701546 UEGTUKWPLPFDQA-SFHVURJKSA-N 430.597 2.003 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1722719783 ZTYKNEJXPCEYQM-IRXDYDNUSA-N 426.583 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)C[C@@H](C)C1 1722725199 LRAODWBUCYXQRL-HZPDHXFCSA-N 432.550 2.009 30 10 IEEE CC1(C)CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1724027229 CLSXPIYKZLIZLA-MXLIYFDZSA-N 428.537 2.325 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCOC[C@H]2C)cs1 1725355189 YZDYLOQTAGTCLM-IIBYNOLFSA-N 429.594 2.485 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1726536754 AEGUZGLECNHTNQ-OPAMFIHVSA-N 443.573 2.381 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)Oc2ccccc2C)CCOC1 1728815751 FLGASQGWIADAKE-SELNLUPBSA-N 441.532 2.435 30 10 IEEE CCOCc1nnc(N(C)[C@@H]2CCc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1728975030 NKCPMTVXRBJLIU-UGNPLGLKSA-N 436.516 2.465 30 10 IEEE CN(CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1729517947 DXECHSUPYYIGAG-LJQANCHMSA-N 446.515 2.181 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1729930135 YEEFRHITVVUSIP-PKTZIBPZSA-N 438.532 2.212 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1730982242 YBPRBPNTQJIYDS-OALUTQOASA-N 446.502 2.398 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)N(C)C)c1 1740564322 JMZHUGQXAWYVFQ-GOSISDBHSA-N 431.544 2.270 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(F)(F)F)CC1 1740598503 RZGXGUCNSCVFBQ-IRXDYDNUSA-N 429.487 2.490 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN(C)CCCOC)CC1 1740692948 RRXINOZUAAJDMH-UHFFFAOYSA-N 430.984 2.322 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1740727469 MULHUUISJPQQFV-XMMPIXPASA-N 446.511 2.497 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccnc(C)n2)CC1 1740768745 XJDFBRBJZOSTSH-NQIIRXRSSA-N 427.553 2.221 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740786705 MILZBBMPEXXLJH-LJQANCHMSA-N 444.584 2.134 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740792873 MLHSISDMUGKWKQ-ULQDDVLXSA-N 448.568 2.171 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)C(C)(C)C)CC1 1740829761 JDYYWQFFLHIXFM-IRXDYDNUSA-N 426.583 2.372 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740863520 AGAKORDILSJBQH-HKUYNNGSSA-N 448.593 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740957666 WWRISBMRSYYVLF-UHFFFAOYSA-N 439.564 2.241 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740985093 BFXLVNMBZJWHKM-CVEARBPZSA-N 427.571 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740986764 GSQLHKNLNUYHFC-KRWDZBQOSA-N 441.598 2.307 30 10 IEEE CC(C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1741372735 QIGOFODZCKXUND-UHFFFAOYSA-N 447.543 2.353 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)s1 1742212922 DMQXXAWOBSPDOL-CYBMUJFWSA-N 434.547 2.408 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1743248094 KXUVOHMZLXFIHF-AOMYARPXSA-N 442.907 2.350 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1746420660 NWMJELVNMAPWNP-QGZVFWFLSA-N 443.552 2.247 30 10 IEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1748330720 VSBOJZGKQYIVAL-UHFFFAOYSA-N 437.500 2.465 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1748757841 MJKYWWOIFISGOB-OALUTQOASA-N 428.581 2.335 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1748803872 APBKCVSLFQLHDX-FQEVSTJZSA-N 442.585 2.411 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1748818375 ZFYXKRACXLNULF-IRXDYDNUSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ncccc1Cl 1748825540 YWOMKNCGKNERHM-UHFFFAOYSA-N 435.875 2.126 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1748983168 KSQYINCZJIFODT-UHFFFAOYSA-N 432.528 2.400 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N(C)C 1749113227 BUSWNSXAQGXVHH-FQEVSTJZSA-N 432.525 2.499 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1749303774 OWRLKWMTMKKQBY-KRWDZBQOSA-N 432.546 2.421 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC1CC1 1749544190 CIIZXRTWKHHYCK-UHFFFAOYSA-N 428.562 2.294 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)C1 1749710391 WSCLCINUHHWHLQ-WCIQWLHISA-N 430.597 2.379 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1 1751097129 DXUOWNQSMDVCJA-HXUWFJFHSA-N 447.591 2.163 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1751587927 GADHGZMNWOHLHM-RTBURBONSA-N 442.589 2.328 30 10 IEEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760134812 ZJQJBAKWDGYWHP-UHFFFAOYSA-N 448.571 2.328 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C(N)=O)CCCC1 1760198438 BXUKNGIWPHLXOZ-UHFFFAOYSA-N 435.528 2.471 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2nccs2)CC1 1760255831 ATTFPSUJKXPKRP-QFIPXVFZSA-N 444.605 2.163 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1760325899 SQZDZBBVXBBBRC-ZVDOUQERSA-N 441.580 2.083 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760355498 MMPIWIYARLEUBD-LJQANCHMSA-N 425.541 2.321 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760440721 OYWRYNHZXCYAPS-GJZGRUSLSA-N 435.516 2.219 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760515234 STNOMGVCBVOOFG-GJZGRUSLSA-N 431.459 2.083 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NC(C)C)C1 1760534692 DUGZBKSITOETJH-LJQANCHMSA-N 440.548 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](COC)C1 1760556664 LQINNAWEUMZDAX-QGZVFWFLSA-N 436.553 2.472 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1761451374 SXRDGPYMOLCCCY-FUHWJXTLSA-N 447.561 2.025 30 10 IEEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1762171570 QMKYDNGQZOAQIE-LJQANCHMSA-N 426.546 2.397 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1768114733 XWGHMOPRORCVFP-VQTJNVASSA-N 439.564 2.436 30 10 IEEE CN(C)c1cccnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1768499080 NGZJHFZNRTUNLL-HNNXBMFYSA-N 439.470 2.385 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC12CCC(CC1)C2 1768942848 GWHTZMUCNJJHMJ-UHFFFAOYSA-N 428.562 2.382 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCOCC(F)F)CC2)nc1 1770738908 SBLLJJKGKAIYHU-QGZVFWFLSA-N 447.490 2.047 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(O)CCOCC2)CCO1 1770746260 BSMHPKSHICQAHL-KRWDZBQOSA-N 449.458 2.207 30 10 IEEE CCOCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1772886442 FCQBIKWNWKTZOZ-LSDHQDQOSA-N 449.515 2.426 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(N4CCC(C#N)CC4)CC3)ccc21 1849035450 LHYVBKOJKMFXGP-UHFFFAOYSA-N 430.574 2.374 30 10 IEEE CN1CCN(CCNC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CC1 1852153069 NXKCZDIGMMNWQL-HSZRJFAPSA-N 431.540 2.009 30 10 IEEE CC(C)N1CCCC[C@@H]1C(=O)N1C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c2ccccc21 1857141984 IUWVAHTZHWVJMW-QFBILLFUSA-N 432.546 2.119 30 10 IEEE C=CCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863604830 QBLUNWOSALHZBW-UHFFFAOYSA-N 425.510 2.007 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC)c(CN(C)C)cc2=O)nc1C 1870323395 OYTUAMOUYSRZRW-UHFFFAOYSA-N 434.518 2.055 30 10 IEEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(CC)CC2)cc1=O 1870561171 BVDYMWAWUGBJLA-QHCPKHFHSA-N 438.572 2.006 30 10 IEEE COc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)c1OC 1874354224 YKKHDKKUMDVHKY-FOKLQQMPSA-N 441.513 2.472 30 10 IEEE CN1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1C#N 1914876563 JDXXLYZNHGEIAQ-JTQLQIEISA-N 434.075 2.333 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@H]2OCC[C@@H]21 2060721719 TZGAMLSSUONISK-IVAOSVALSA-N 440.544 2.390 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124540634 KAAKIMPCQSRECF-JYJNAYRXSA-N 446.357 2.396 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)C1 2255187483 VHRLNTCICRZTBG-XXZGNSDVSA-N 439.556 2.405 30 10 IEEE CC1(CCNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)OCCO1 2255744569 LFRRNVZCNKSFGN-UHFFFAOYSA-N 437.776 2.132 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2255821538 DFSCROKLVURZGW-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255833401 CFTLNBXMZYCTFP-NRFANRHFSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255862338 RETABBBFQGYVLI-FPTDNZKUSA-N 431.342 2.301 30 10 IEEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255880001 YIHUVAHDRQVFSP-HNNXBMFYSA-N 434.346 2.055 30 10 IEEE CCc1nn(C)c(C(=O)N(CC(=O)O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2256935241 JNWCYXOHVAGVRO-UHFFFAOYSA-N 427.310 2.009 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2259927537 YYERERFEJAQVIX-FPTDNZKUSA-N 431.342 2.301 30 10 IEEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267006743 QEFFOOBDSUKGAU-SFHVURJKSA-N 438.381 2.456 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267089768 HZYFMPOTJMUFDN-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCOCC2)n1 2267114219 FQBTVUKJQCYNMD-UHFFFAOYSA-N 440.353 2.183 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)n1 2267118048 WQEMHSXFGFPQKC-KRWDZBQOSA-N 440.353 2.324 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2267189012 UNUSSCNIUYFPTE-GJZGRUSLSA-N 448.373 2.141 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267281818 XXCXMMMOQZVXFS-CQSZACIVSA-N 446.357 2.103 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479231 JDZQFMRIBDKTRD-LSDHHAIUSA-N 449.332 2.458 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@H](C1)CN2C(=O)OC(C)(C)C 2267577565 RTGCDMAOOMXWAT-WBVHZDCISA-N 445.369 2.406 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2267595122 VLCJJCGCVSKTQI-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267814251 AGORTEUDKQCLFX-UHFFFAOYSA-N 438.333 2.422 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268632234 HVMVCWWWXKWRTN-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCOC1 2268708643 DJOOPYNZYBFHHI-WMLDXEAASA-N 447.341 2.249 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2269056982 FHQZITRMEUAZMD-SFHVURJKSA-N 442.321 2.114 30 10 IEEE Cc1ccc(C(=O)O)cc1N=C1NC(=O)C(=C2C(=O)N(CC(=O)O)c3ccccc32)S1 2314557507 KOBPOHYEBQNURY-UHFFFAOYSA-N 437.433 2.386 30 10 IEEE COCCn1cc(C#CC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318054041 VMMFKCLELQWRNR-OAQYLSRUSA-N 440.544 2.475 30 10 IEEE Cn1nc(I)cc1[C@H](O)[C@@H](N)C#Cc1ccc(Br)cc1 2360934408 QYQARQQKNPGOTN-SMDDNHRTSA-N 446.086 2.200 30 10 IEEE CC(C)(C#C[C@@]1(OCCC(=O)O)CC[C@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2365248148 KFSHTUBZBAIPBI-UTKZUKDTSA-N 437.514 2.132 30 10 IEEE CS(=O)(=O)C1(C#C[C@H](N)[C@H](O)c2cc(Br)c(Br)s2)CC1 2367819278 SCNMDCQQWCUKHN-WPRPVWTQSA-N 443.182 2.214 30 10 IEEE CC1(C)OB(c2ccc(CN3C(=O)CCCS3(=O)=O)cc2Br)OC1(C)C 2377269709 BYCWDGBNSIJTCB-UHFFFAOYSA-N 444.156 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2cc(Br)cc(C#N)c2)C1 2379812957 DUVCKYYLAVRGHI-MRXNPFEDSA-N 435.322 2.492 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)c([N+](=O)[O-])c1 12819294 MLABVKAMCWIASM-UHFFFAOYSA-N 444.517 2.219 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3OC)n2N)c(C)c1 21319771 JLSXPAGBTAAOGA-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1 102744818 VYVSYGUCFFQLNG-HQMFNGAOSA-N 444.557 2.242 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@](C)(O)Cc3ccc(OC)c(OC)c3)cc2C1=O 461242603 OLMUTPWRBRUAOZ-XMMPIXPASA-N 438.480 2.209 30 10 IEEE CC(C)OCCCNC(=O)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462093485 NOSXGGASDOIIBN-UHFFFAOYSA-N 439.520 2.314 30 10 IEEE Cn1cc(N2CCC[C@H](NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)C2)cn1 466034907 FVGQWPQSJQGHMB-FQEVSTJZSA-N 435.532 2.321 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)ccc1Cl 481973743 MXQJFQWEVPXFEY-UHFFFAOYSA-N 427.891 2.258 30 10 IEEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508496035 XRMYSBFXSKMYTB-UHFFFAOYSA-N 446.508 2.219 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 508958567 BARLUJFHNRLMSR-JOCHJYFZSA-N 443.555 2.377 30 10 IEEE CN1C(=O)C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 514753538 HAFWGJHKGKHRSS-APWZRJJASA-N 436.896 2.081 30 10 IEEE Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 516986300 KHXLGNIGTAKYJK-UHFFFAOYSA-N 440.511 2.442 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 522541589 OJPGGGHQJBDXHN-DOTOQJQBSA-N 426.538 2.216 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 523305625 NURYZUJETFTBES-UHFFFAOYSA-N 442.924 2.393 30 10 IEEE C[C@H](C#N)CN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CC1 533139093 KVADSBSIKLNXRP-QGZVFWFLSA-N 430.574 2.374 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2)CC1 549275894 LZHZRVYTLCOXTI-UHFFFAOYSA-N 438.557 2.351 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3CC3CCC3)CC2)cc1 567155681 VWFANZDKANJXGA-HXUWFJFHSA-N 431.558 2.377 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)c(F)c1 729884961 SEXBXOHBROWGGY-UHFFFAOYSA-N 434.221 2.486 30 10 IEEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 742144126 VXXJDGCUWMJXOJ-UHFFFAOYSA-N 437.443 2.304 30 10 IEEE Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1C 742249931 CKVAEFJEZVFOKE-BSBNDGSWSA-N 428.514 2.060 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)s1 752194219 MEFQXVZOAYCNFG-UHFFFAOYSA-N 438.578 2.254 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(CC)c2)C1 760305001 PCSAZBXMNWDXEX-DLBZAZTESA-N 431.562 2.120 30 10 IEEE CCS(=O)(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 762635612 JWGORJLBAGUSKU-GOSISDBHSA-N 444.509 2.179 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)c1 768758799 UVKLUTZMPBMSJE-DLEIPIOBSA-N 442.488 2.132 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772280267 YCYQSKNHXDAXQQ-UHFFFAOYSA-N 430.464 2.269 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCc1cnccn1 774575255 GUHCQKUFCJYCND-IBGZPJMESA-N 440.573 2.027 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 778292372 DIJXPLRQHVCACO-HXUWFJFHSA-N 425.510 2.363 30 10 IEEE Cn1ncc(Br)c1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 782302793 JABGDUXRIQSJCA-VOTSOKGWSA-N 440.319 2.100 30 10 IEEE COc1cc(C(=O)CCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc(OC)c1OC 783336627 PIPXTYWHDPUNRS-UHFFFAOYSA-N 446.481 2.193 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(CC#N)CC2)c1 797426850 PGBKURVUVQZTLB-IBGZPJMESA-N 437.569 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](c2cccnc2)C1 810077725 OPHYQSUHDCGOGW-SFHVURJKSA-N 429.502 2.331 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(F)ccc2OC)c1=O 812278355 IZBRSYNVULSGQZ-UHFFFAOYSA-N 448.475 2.085 30 10 IEEE COC(=O)c1ccc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 912630309 AFBXRYWXIKPEJH-SFHVURJKSA-N 443.525 2.243 30 10 IEEE CCCN1CCN(c2ccccc2C=NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 915936282 UGOWCQGRFPEMQA-UHFFFAOYSA-N 446.533 2.220 30 10 IEEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1Cl 916937177 FDNFMEXQWSWRHT-CURUXHCOSA-N 446.891 2.497 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCCCc2nc(-c3ccncc3)no2)cc1 919318804 QKSRWIOCOYOBFD-UHFFFAOYSA-N 426.454 2.094 30 10 IEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3cccc(OC)c3)n[nH]2)cn1 1084032959 WFXXRZLBNXBXEW-UHFFFAOYSA-N 444.521 2.223 30 10 IEEE CC(=NNc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N)c1ccccc1O 1084522452 PEGRRDCFURZPOH-UHFFFAOYSA-N 425.518 2.251 30 10 IEEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1ccccn1 1084639979 FFXMKCNFYAEXOI-UHFFFAOYSA-N 434.485 2.423 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1124738335 FUYBFBNUAWYLAG-VPFXQZGESA-N 444.513 2.496 30 10 IEEE CNC(=O)c1ccc(CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C2CC2)cc1 1142887005 QPTXPKMVAWQKOW-UHFFFAOYSA-N 429.473 2.287 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 1146222299 YITXGHZIPSXWQK-RDPSFJRHSA-N 432.480 2.049 30 10 IEEE N#Cc1cn(CCC(=O)N[C@H]2CSCc3ccc(Br)cc32)c(=O)nc1O 1165639816 YHQICFQHRHPPGI-AWEZNQCLSA-N 435.303 2.077 30 10 IEEE COc1cc2c(cc1OC)C(C)(C)N(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2 1175783214 OEBHIVVAKJPVCL-HXUWFJFHSA-N 428.577 2.489 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)CCOCC1 1195015385 RQJATBVDBPTIPS-UHFFFAOYSA-N 430.320 2.477 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC3CCN(c4ccccc4C#N)CC3)C2=O)cc1 1248374612 DAIMPMZFAYKVOI-QFIPXVFZSA-N 442.523 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCNC(C)=O)c1 1286309290 JKLSDFWSAPCUIP-UHFFFAOYSA-N 434.500 2.429 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](COC)C1 1286340037 SSLQDRDDEOVYDZ-QGZVFWFLSA-N 431.562 2.082 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286394016 SXXYBSDOSRGQIX-OALUTQOASA-N 447.630 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccn(CC)c1=O 1286430872 KDIDTQISKVUERJ-JOCHJYFZSA-N 443.507 2.483 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286592648 OOFOFFRIDBRHIZ-JYJNAYRXSA-N 449.508 2.277 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 1286615607 RDBGDHOGMYICEV-FPOVZHCZSA-N 438.576 2.287 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCN(CC)CC1 1286722616 NKGGFCUYQCZUEN-UHFFFAOYSA-N 429.569 2.046 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 1286782951 IPTWTZQSKPLAIG-AWEZNQCLSA-N 449.342 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C(C)C 1286814586 CVGLCSMZGOMMFJ-UHFFFAOYSA-N 440.591 2.184 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1293849208 ABIFGYQNLBWEFR-MWTRTKDXSA-N 437.548 2.071 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)CC2)c(Cl)c1 1297133687 MRLHYKXBLSJMCU-UHFFFAOYSA-N 429.285 2.068 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(Br)cnc3[nH]2)cc1 1298351706 FNRPMCGGQZLQOZ-UHFFFAOYSA-N 436.291 2.437 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1 1298665828 FDKFUOCKZPNLMA-LJQANCHMSA-N 436.493 2.065 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1 1299280696 GMQVTLUCQMRBGJ-JOCHJYFZSA-N 426.494 2.401 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1300273330 QFQPNNAFKFWRGY-UONOGXRCSA-N 431.518 2.149 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1300305122 XBNJIBHVLOYRSB-JOZVDFOLSA-N 431.581 2.248 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCn1cc(CO)nn1 1300441259 INBCCJYBERNYIH-HNNXBMFYSA-N 425.562 2.375 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCCN1CCN(c2ccncc2)CC1 1300570120 HHUDXTZYRKTURZ-UHFFFAOYSA-N 442.571 2.343 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301136709 APFAZHZBAHROOB-QGZVFWFLSA-N 431.585 2.355 30 10 IEEE C[C@@H](C(=O)N1CCC(c2ccc(C#N)cn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1301181752 LZRLNXGVDXOWIT-INIZCTEOSA-N 441.532 2.127 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301188144 GMAYKVMODVURFZ-MJGOQNOKSA-N 432.594 2.339 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC(C)(C)OC(C)(C)C1 1301588829 KGEUFMKGIAHLQW-MRXNPFEDSA-N 426.583 2.167 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCS(C)(=O)=O 1301959986 MIBLKIXEQZKYQI-HNNXBMFYSA-N 433.534 2.485 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCS1 1303978079 HDPLZGIOGTXVDQ-SFHVURJKSA-N 429.546 2.476 30 10 IEEE Cc1cccc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1304444382 HXFFKODMQWPDIH-OXJNMPFZSA-N 434.541 2.190 30 10 IEEE CCc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1306183222 QVWUKCCIDSBGTG-UHFFFAOYSA-N 440.529 2.254 30 10 IEEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1307909283 PFYMAAZMARSLRW-XOBRGWDASA-N 439.468 2.124 30 10 IEEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1310566448 YCFLKSAKLVKJBU-UHFFFAOYSA-N 426.517 2.220 30 10 IEEE C#C[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(Br)cc1 1311888706 PYMJIKJVKCEOQK-INIZCTEOSA-N 428.352 2.142 30 10 IEEE Cn1cc(CNC(=O)NCc2ccc(CN3CCNC3=O)cc2)c(-c2ccc(C#N)cc2)n1 1312480488 KLBQEDQYLGZCMC-UHFFFAOYSA-N 443.511 2.483 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)C1 1312901395 GDBGXXMPKYNWST-NILFDRSVSA-N 438.269 2.166 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1314938360 BTDLKCRMWWETPV-OAHLLOKOSA-N 436.438 2.356 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)OC)cc(OC)c1OC 1315304939 FZCTXDNKXNGGKY-OAHLLOKOSA-N 431.493 2.125 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1315693216 BIRQZMWVVWGGOF-RTBURBONSA-N 429.546 2.399 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)nc2)CCO1 1316538719 AJSGRTMNLHQUQL-AWEZNQCLSA-N 443.920 2.095 30 10 IEEE CC(C)Cn1cc([C@@H]2N(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC23CCOCC3)cn1 1327090085 OPQIXSPFIRLENY-AGGMBTAESA-N 441.532 2.136 30 10 IEEE CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)ccn1 1328524340 LBXXSMWLAFHJOZ-AUSIDOKSSA-N 447.539 2.438 30 10 IEEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1358945572 LRFIMKVRHBXMLY-LSDHQDQOSA-N 429.484 2.033 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358962231 MLYWVIDNPBRUDK-RTBURBONSA-N 444.605 2.006 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1358966098 HVVBRQRNWDOZTI-FQEVSTJZSA-N 428.558 2.052 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CN2CCOCC2)c1 1358978446 MYHNOCMONYSXAH-HSZRJFAPSA-N 433.556 2.125 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359024512 ORDNOFGRNHDRAD-FQEVSTJZSA-N 435.532 2.114 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1359037028 RUZDRAPHYKHSLO-FQEVSTJZSA-N 435.601 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(SC)CC2)CC1 1359040427 URNPQRRHPNYPMB-UHFFFAOYSA-N 446.621 2.058 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359059510 PNNBCPANVPTLPK-QGZVFWFLSA-N 438.557 2.272 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCOCC1 1359127348 OGSDDBGFUMMOEM-UHFFFAOYSA-N 448.593 2.366 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359190802 CZQLCNSMMFRXRK-UHFFFAOYSA-N 443.596 2.341 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359208974 YEMFWVLMLYTTLG-HKUYNNGSSA-N 433.578 2.302 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@](C)(O)c2ccccc2)C1 1359324373 JSEOGMYKJXJMCY-YKSBVNFPSA-N 439.560 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCO)CC1 1359329226 CEAYUTZNTVWALH-UHFFFAOYSA-N 443.573 2.406 30 10 IEEE CNC(=O)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1ccc(OC)c(F)c1 1437087130 UYQLAPLVGPYWLG-ZDUSSCGKSA-N 438.381 2.454 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)s1 1445567406 ADLMTAHZVNAIHZ-QGZVFWFLSA-N 448.566 2.255 30 10 IEEE CCn1c(SCC(=O)N2CCN(C(=O)CC#N)CC2)nnc1-c1ccc(Cl)cc1 1445685071 GHRCJQPXGLWKMH-UHFFFAOYSA-N 432.937 2.295 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 1465089203 XAALYAQVXSODQS-QAPCUYQASA-N 449.504 2.449 30 10 IEEE C[C@@H](CC(=O)NCc1nc(-c2ccccn2)cs1)/N=C1/NS(=O)(=O)c2ccccc21 1469538702 SVOUFDLYJOGJBM-ZDUSSCGKSA-N 441.538 2.339 30 10 IEEE C=CCN1CCC(NC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC1 1477805528 OYRYWRJPSCPEKD-UHFFFAOYSA-N 435.366 2.453 30 10 IEEE CC1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 1494075334 YQUJGHZZXSFHIM-LJQANCHMSA-N 425.493 2.314 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1)S(C)(=O)=O 1502180195 GAOZRVHESRRELI-MRXNPFEDSA-N 448.618 2.430 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC(F)F)c1 1504124013 FTORBAJKCQWQSG-OAQYLSRUSA-N 448.474 2.474 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)c(OC)c1 1504888480 SDZGBKFGOHDBML-MRXNPFEDSA-N 432.912 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1C 1507527995 KOIVQJBHVLYJTH-IKGGRYGDSA-N 430.578 2.369 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507554121 LKZHAMZCTOQECG-SFHVURJKSA-N 437.548 2.422 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1507630548 BSYDHKITFBCSJK-GOSISDBHSA-N 443.573 2.092 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cccc(CN2CCOCC2)c1 1507645649 AMRJUGNIHSAKKH-UHFFFAOYSA-N 428.540 2.237 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCOCC2CCOCC2)CC1 1507723448 IZSMGCADADOAEV-UHFFFAOYSA-N 438.576 2.237 30 10 IEEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)N(C)C)CC1 1507908967 MHMKTPVFZALVCP-UHFFFAOYSA-N 433.578 2.459 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1509947962 XFTDDNSOXOZHPD-INIZCTEOSA-N 442.545 2.293 30 10 IEEE CCN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1515427629 QBBDVLCUBGEYPI-BSBNDGSWSA-N 428.537 2.467 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1515793882 BHZXMLAWIMABQN-UHFFFAOYSA-N 449.563 2.309 30 10 IEEE CCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1516744027 IWBOPWXUCVANQE-FOIQADDNSA-N 438.504 2.065 30 10 IEEE CO[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1517855610 UHIGVNZGXKEPFJ-MOPGFXCFSA-N 429.594 2.481 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1(C)C 1518639417 XHTGBZLCAFOFTC-IBGZPJMESA-N 426.521 2.116 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCOCC(F)F)c1 1521083733 ZGZBZSVCBQMRLX-AEFFLSMTSA-N 444.486 2.451 30 10 IEEE Cc1c(C(=O)Nc2ccc(C#N)cc2I)nnn1-c1ccn(C)n1 1538010204 XZGXRLPYGQDUNV-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1N(C)CCCC1(C)C 1539401053 QZDMHSAGLBAWCV-CVDCTZTESA-N 433.597 2.137 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539518167 WHQOHIBZSHXYJB-LEWJYISDSA-N 446.665 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1539569667 HFJNASXTTWRSIA-JBYIUTFZSA-N 449.621 2.224 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NCC)CC1 1539954669 CYOBDULMDRBBHP-UHFFFAOYSA-N 440.548 2.288 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1540036707 SGXLGOHNEQXEBB-SFHVURJKSA-N 446.573 2.344 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@H]1C 1540126879 MAPQDIWVPIAJBT-MBSDFSHPSA-N 425.533 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C 1540908187 CPWZKXSBEAEJFK-QGZVFWFLSA-N 447.609 2.072 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1541129582 FUTWZYVRMHOHCC-CABCVRRESA-N 428.518 2.035 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CCO1 1541168502 BAJZOVIPHIBNRY-LJQANCHMSA-N 436.520 2.272 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1541637128 BOUJDUJWMRABEV-UHFFFAOYSA-N 439.564 2.035 30 10 IEEE Cc1ccc(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1542400712 DVGFQNWDLLTXKA-HSZRJFAPSA-N 440.548 2.114 30 10 IEEE Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543348593 OJPKZRDLRCXMOD-NQKFGRBQSA-N 442.907 2.344 30 10 IEEE C#CCN1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 1544079453 RKGFWKXMDDYTFK-UHFFFAOYSA-N 427.364 2.171 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC1=O 1547698204 XGDIWABTWWLGCK-UHFFFAOYSA-N 448.474 2.417 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1554356085 ZQCSVBNHNPXHLP-PMACEKPBSA-N 432.887 2.431 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1554607364 GRQOQHLEUIUKGT-WMZOPIPTSA-N 438.532 2.259 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1555559368 SXZCWINAYYPDOK-NFBKMPQASA-N 440.548 2.359 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)CCC(F)(F)CC1 1557622970 CAJKPSPMQWPRTO-UHFFFAOYSA-N 443.516 2.342 30 10 IEEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)C1 1558317026 NMNMYEJFECZOLY-UHFFFAOYSA-N 431.352 2.146 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)c1 1566215339 IMAZCAHSCHCEOU-HXUWFJFHSA-N 442.928 2.467 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2)cc1 1583811330 CJSZPJLCFUFCOO-UNMCSNQZSA-N 441.553 2.459 30 10 IEEE C#CCN(c1nnc(C)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1588034604 JALBKWGXEKFBON-CYBMUJFWSA-N 429.365 2.086 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588672197 BTDMMWULIYMMCN-KNQAVFIVSA-N 445.589 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1589142990 UONXSJBUTDWGSP-OAQYLSRUSA-N 438.923 2.030 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@@H]1OC 1595115161 FNPROMLUKLIFSL-AABGKKOBSA-N 425.533 2.473 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC)CC1 1595648478 CTTMQWXBKLGHRU-UHFFFAOYSA-N 435.532 2.254 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](Cn4ccnn4)C3)C2)C1 1596982432 JZYOGFCLTQHXPF-KAIODVNGSA-N 428.537 2.304 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)OCC)c2ccncc2)ccc1F 1597714263 GLKTVAQEUAERTJ-KRWDZBQOSA-N 435.477 2.109 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1611319954 QQFBVDXWIXXNCS-CAOSSQGBSA-N 431.541 2.066 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[Si](C)(C)c1ccccc1 1611339764 WHYUIQUKUAUXGQ-LJQANCHMSA-N 443.645 2.411 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CC2)cc1 1618180399 HDGKZRKGDLCXJR-QHCPKHFHSA-N 448.523 2.240 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1619616522 XMHOWPPRPUUFMN-SFHVURJKSA-N 426.496 2.392 30 10 IEEE C[C@@H](NC(=O)[C@@H](C)N1CCC(c2ccc(C#N)cn2)CC1)c1ccc(S(N)(=O)=O)cc1 1620449821 BHLLYCANNAUBBS-HZPDHXFCSA-N 441.557 2.046 30 10 IEEE C#CCN(CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C 1623324598 BSIMZJQZTGRXIN-UHFFFAOYSA-N 439.534 2.144 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C1 1624819023 DZHATHZMFOZZFR-AAEUAGOBSA-N 427.427 2.266 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc(OC)c(OC)cc3[nH]2)s1 1627648431 JGDCXWSBYRXFPI-UHFFFAOYSA-N 436.515 2.287 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1627827334 DBRQWMIFMAEKRO-SANMLTNESA-N 441.347 2.166 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)CC2)c1C#N 1628903415 GLWHXQNAIYUJFW-UAGQMJEPSA-N 431.562 2.475 30 10 IEEE C[C@H](CC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1632093328 QOHVMWDCXNBFDT-LLVKDONJSA-N 433.427 2.397 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1 1633771551 ODRPNNKTXOFASK-SJLPKXTDSA-N 430.505 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1639033752 NGZBKNNADGSLMZ-OEAGWNGGSA-N 432.521 2.295 30 10 IEEE CCn1c(O)nnc1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1639059311 BSKMNZIBJFGPSR-OAHLLOKOSA-N 442.907 2.288 30 10 IEEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1639082030 ZDZVCUGEDRRDTF-KBXCAEBGSA-N 442.495 2.429 30 10 IEEE C[C@H]1CCCC[C@]12CC(=O)NN2C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641404619 MHECMFPGZGUOPU-AOMKIAJQSA-N 444.557 2.171 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NOc2cccc(C#N)c2)cc1 1643518154 VTZYKJGEIIKVPQ-HXUWFJFHSA-N 427.482 2.414 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc2n(n1)CCCC2 1644047681 SVVDCUMILDSZQO-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE N#Cc1cncc(CNC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)c1 1645029728 DUVXJOVMHFGIQF-UHFFFAOYSA-N 446.324 2.289 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)c1 1653175927 SAYBQVKBTWBFFQ-SFHVURJKSA-N 427.501 2.091 30 10 IEEE C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 1681362505 BTOZQANHRDZKSA-LIRRHRJNSA-N 441.511 2.329 30 10 IEEE C#CCN1CCC(NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 1683803854 JTSJJVMOBOBUBV-LJQANCHMSA-N 434.581 2.189 30 10 IEEE C#CCN(C(=O)N[C@H](C)c1ccc(OC)cc1Br)[C@H]1CCS(=O)(=O)C1 1685873239 BKBSZICPPAWYKT-OLZOCXBDSA-N 429.336 2.351 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 1686057064 HCEDJWCJTWQFQB-UHFFFAOYSA-N 428.470 2.202 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689988948 ZGTUCELGYHIYHP-JKSUJKDBSA-N 445.520 2.038 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690070919 KGXJNEMKFORCJM-LJQANCHMSA-N 447.543 2.085 30 10 IEEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCN(C)C1 1690611756 YMLYXQBPAVCYNR-HSZRJFAPSA-N 425.577 2.454 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCOCC1 1692162678 JIFCBLMCMFLVAN-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)C[C@H]1N1CCOCC1 1694931559 FUSLFDRXDZXJGW-CZTZKLFOSA-N 437.592 2.314 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705531044 WPAFNEAVLPQCNY-SFHVURJKSA-N 447.547 2.027 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1705565837 WXNPYAIITQOPFS-KRWDZBQOSA-N 431.587 2.253 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[S@](=O)C(C)(C)C)CC1 1705647691 IEOWZUQEUIHNAD-OKXSDPAFSA-N 449.621 2.033 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1705665557 XTDQFPKBUGHCJU-IEBWSBKVSA-N 449.621 2.034 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)C1 1705709387 OKOPNXVYEDYQPF-IERDGZPVSA-N 443.573 2.496 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1706152264 AWDLBVFWWPOFTB-NRFANRHFSA-N 428.468 2.421 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1706745311 YPPHZCVQODMLQH-GPMSIDNRSA-N 446.577 2.359 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)c2ccccc2)CCO1 1712884902 VMCHYRMOBFZBQF-QGZVFWFLSA-N 443.554 2.133 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1722290780 BEQRKHBJERZMSO-MRXNPFEDSA-N 435.532 2.049 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCSC1 1722353760 ZNZTWXZCBJQFNZ-OAQYLSRUSA-N 435.594 2.330 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCc2ccc(OC)c(OC)c2)CC1 1722446754 AKGOOCRNAOVEDU-UHFFFAOYSA-N 439.560 2.456 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC(=O)NC(C)(C)C 1722689695 XDVVXTJNDXFYDU-GOSISDBHSA-N 426.565 2.473 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CCO1 1722843113 NOVQDFHHLDTYAA-HXUWFJFHSA-N 436.541 2.462 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1(C)C 1723018200 UOMZQPWTTLJTOK-WCXIOVBPSA-N 430.553 2.188 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](OC)C1 1740717857 BOJVFOLJXXETNB-SFHVURJKSA-N 427.578 2.044 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740864187 HJDKNYKABOSXFB-HSZRJFAPSA-N 437.548 2.435 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740877681 IMVPQIQYVNQQED-FQEVSTJZSA-N 437.592 2.363 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)[C@H](C)C1 1741055708 PMFOPHBEVKGPHU-UTKZUKDTSA-N 436.516 2.131 30 10 IEEE CCCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1745543253 WWQUQZGOOTZBEJ-UHFFFAOYSA-N 439.564 2.431 30 10 IEEE CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1746229309 KONPHVYJONAVEU-ZDUSSCGKSA-N 434.547 2.489 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CCCO 1748657422 AXRLPINTGVMVOC-MJGOQNOKSA-N 425.533 2.021 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC[C@H](CO)O2)c1 1748691750 LXTCQCZYWSNDFE-VQTJNVASSA-N 449.511 2.443 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1748731788 LZILYKYLGYMQOV-KRWDZBQOSA-N 442.951 2.367 30 10 IEEE C#CCCCn1c(N2CCN(S(=O)(=O)N(CCC)CCC)CC2)nnc1C(C)(C)C 1748764340 LVBQRPXVUCCDAJ-UHFFFAOYSA-N 438.642 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCOCC2)cc1 1748956145 KRFGFFSIYHJWAS-UHFFFAOYSA-N 434.544 2.255 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@H]1CCOC1 1749051349 FRCSBQCHTMKOEE-WZONZLPQSA-N 438.532 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749126503 CWALENQFZGZWEL-HKUYNNGSSA-N 437.610 2.387 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749426477 CQZVKPZBCGHYKX-MSOLQXFVSA-N 437.610 2.135 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1749683138 KGQXXEUYDOYXEM-NHCUHLMSSA-N 438.576 2.390 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1749731515 GEISWPNLCLDFCA-QZTJIDSGSA-N 426.583 2.372 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@](C)(O)c1ccco1 1750646972 BKCVFWMSMOOFQD-KSFYIVLOSA-N 436.520 2.279 30 10 IEEE CC1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1751295146 HBPBMORNTDJKRZ-HTXNQAPBSA-N 439.545 2.198 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1760192971 QALPUTGZCBUJQV-DLBZAZTESA-N 449.602 2.072 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1760242643 KIPFLAICAOBVIH-SJORKVTESA-N 425.533 2.435 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OCC)c2)CC1 1760264004 YIYPPSCBUFYNED-HXUWFJFHSA-N 425.533 2.340 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCOC)CC1 1760300059 RAZIGFIVSDFUPF-UHFFFAOYSA-N 442.358 2.055 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1760356270 JRKKPXDWNOQONO-DLBZAZTESA-N 427.505 2.098 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnc(C)s1 1760503631 LYHIARSDCDDLRI-UHFFFAOYSA-N 438.517 2.441 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1765472591 QJDDAPITWDLTFB-DBVUQKKJSA-N 449.559 2.084 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)C1 1766157616 DVYJRKGQNSONCS-JQXUCKDRSA-N 441.532 2.272 30 10 IEEE CCN1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1767117378 GJYBFABKLLLKTR-GLEDVZQVSA-N 449.559 2.310 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1768076773 CJJAMKIQEMWGCU-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1768749942 DQNMDMMNVUNQLR-UHFFFAOYSA-N 426.496 2.283 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C2CCCC2)CC1 1769345162 CXVXRSYLUJBZBM-UHFFFAOYSA-N 436.564 2.153 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCSCCCO)c1 1771530224 FCILEDVRPSEVBW-RBUKOAKNSA-N 440.573 2.180 30 10 IEEE CN(CC(=O)N(C)C1CN(c2nccnc2C#N)C1)c1nc2c(Cl)cccc2s1 1849268880 IUJMOVAKMJZYPZ-UHFFFAOYSA-N 427.921 2.395 30 10 IEEE N#CCOc1ccccc1C(=O)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 1850854893 LCMPRGWRVBQKGE-UHFFFAOYSA-N 431.496 2.325 30 10 IEEE Cc1cc(C)n(C[C@H](C)C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1851497915 UHHXURDSQCESBQ-JTSKRJEESA-N 426.517 2.331 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)NCc3ccc(C#N)cc3)CC2=O)CC1 1851834878 YPPAOLZFBWQLQC-GOSISDBHSA-N 426.517 2.422 30 10 IEEE N#Cc1ccccc1OC[C@H](CS(=O)(=O)c1ccccc1)OCC(=O)N1CCCC1 1852125744 OJCBJROZZNFFHE-LJQANCHMSA-N 428.510 2.419 30 10 IEEE COc1cccc(C#N)c1OCC(=O)Nc1nc2ccccc2n1CCN1CCOCC1 1852967971 YZOZYWXKVPQAEY-UHFFFAOYSA-N 435.484 2.266 30 10 IEEE Cc1ccc(N2CCC(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2)nn1 1853089257 PWDVZLLZBJHHFI-UHFFFAOYSA-N 433.456 2.262 30 10 IEEE C[C@@H]1C(=O)N(C(=O)COc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855718310 QQZZMDNSYVKHDB-CQSZACIVSA-N 447.900 2.039 30 10 IEEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1856963137 ONIDQEZMOFFOPH-IBGZPJMESA-N 431.558 2.241 30 10 IEEE C[C@@]12CCC(=O)N1CCN2C[C@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1857445514 OMBXBMUWHALSBM-ZHRRBRCNSA-N 428.920 2.439 30 10 IEEE C[C@H]1CC(=O)N(C(=O)COCc2ccccc2)c2ccccc2N1S(=O)(=O)CC#N 1857473461 VWHIOLAUZYXFIZ-INIZCTEOSA-N 427.482 2.215 30 10 IEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(C#N)cc2c1 1857959611 JBFLYAZQQUJVMK-UHFFFAOYSA-N 427.486 2.231 30 10 IEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N=c2nc[nH][nH]2)sc2c1CCCC2 1858838497 OYMGYUSHTPTLTG-UHFFFAOYSA-N 438.473 2.095 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1C(=O)O 1862628811 HHMBOFWOMGGNIU-LJQANCHMSA-N 438.436 2.253 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)c1 1862740665 GHMHORGWZJZPBC-LJQANCHMSA-N 439.424 2.318 30 10 IEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 1874277011 HWWSYZAOENWIMC-OOXYOOLHSA-N 447.561 2.463 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1890180462 MKKJYUINJRWGII-SFHVURJKSA-N 438.557 2.237 30 10 IEEE Cc1noc(CCCNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)n1 1892092871 PMBLJBZIMHRVJY-VQTJNVASSA-N 427.530 2.392 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(I)cn1 1985073929 ZSRCZZGFZOOPPK-JTQLQIEISA-N 430.246 2.326 30 10 IEEE CCCCCCCCN1C(=O)C(=C(C)NCCCN2CCN(C)CC2)C(=O)NC1=S 2040488761 ZBLDRXJSADRBRK-UHFFFAOYSA-N 437.654 2.091 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060790328 OIDLTGZQGGJFEH-WOZUAGRISA-N 440.544 2.105 30 10 IEEE C[C@@H]1CN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2124521046 BHJODDPTVBCFPZ-CQSZACIVSA-N 447.345 2.249 30 10 IEEE CC1(C)OB(c2cnc(N3CCC[C@H]3CS(C)(=O)=O)c(Br)c2)OC1(C)C 2172786168 YKLYAZDIJOEHNV-ZDUSSCGKSA-N 445.188 2.157 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12)B1OC(C)(C)C(C)(C)O1 2247962922 RUTDGLCFKNTSHQ-BZUAXINKSA-N 442.387 2.491 30 10 IEEE CC1(C)OB(c2cscc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255540091 IPJJGMUNSNHOAZ-QHCPKHFHSA-N 442.390 2.414 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2255609470 HJVXVAPGZVNZOE-NHAGDIPZSA-N 449.382 2.346 30 10 IEEE Cc1cnc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255659705 WBNWEMPVDVQTCD-ZBFHGGJFSA-N 431.342 2.332 30 10 IEEE Cc1cccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2255676085 LGIZAANCAUAQBE-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2255695419 DTANZTJACYMSPO-AWEZNQCLSA-N 433.314 2.052 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 2255818949 SRTVJHVNXDBBAQ-IBGZPJMESA-N 425.338 2.133 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2255868067 JWCWZTZSXZGDOY-UYSNPLJNSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256624998 QHWMNDXBEPKKMY-WBVHZDCISA-N 435.374 2.422 30 10 IEEE C=CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)C(=O)OC(C)(C)C 2256641937 QMYIPLYQWMBUBJ-UHFFFAOYSA-N 432.330 2.446 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2267142434 UFSHYRIYXPZTIL-RRFJBIMHSA-N 446.357 2.084 30 10 IEEE C[C@H]1C[C@@H](N(C)C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1Cc1ccccc1 2267188121 HXSOKMDCEQBEDO-PKOBYXMFSA-N 438.381 2.454 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263539 HJDZABOQEIJABP-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501930 FWNDIEKCURSFNA-UHFFFAOYSA-N 448.373 2.048 30 10 IEEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267526995 AFDCIDKQUJCFKI-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267608530 GMNTYTJQDNBSSA-GOEBONIOSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267879754 LBWWKDVTEOWFSY-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268632434 KGMHRJBGULRXCT-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)o2)OC1(C)C 2269022917 SLENBHDWAYOGAK-UHFFFAOYSA-N 441.289 2.322 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2269900333 KMVOCDNLEIVFMN-MRXNPFEDSA-N 448.369 2.334 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCCC23OCCO3)OC1(C)C 2282504360 NRAJOELFQZTNPV-HNNXBMFYSA-N 443.396 2.152 30 10 IEEE Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)NCCC#CBr 2287027265 TWMIKJBHEUBYHT-UHFFFAOYSA-N 425.098 2.480 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2296221431 IPFRHUJZKFJBBU-FGTMMUONSA-N 439.350 2.385 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c(C)c1 2296463637 ZLUHDEVGSPPFHS-HSZRJFAPSA-N 442.537 2.157 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 2297747800 STDJNMNWJFHIQK-HXUWFJFHSA-N 442.468 2.051 30 10 IEEE Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(B2OC(C)(C)C(C)(C)O2)c1 2320561403 MLPXAEXWDJBFSB-RTBURBONSA-N 432.370 2.364 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337200406 HOFCBJNFWWNGPC-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)n1C 2337327344 FHQCDDRXLXYMNU-SHTZXODSSA-N 448.373 2.061 30 10 IEEE COC[C@@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@@H]2CC[C@H](O)[C@]2(C)C[C@@H]1OC(C)=O 31417741 XLJORQYAOTYVQS-BTSYOIBQSA-N 430.453 2.328 30 10 IEEE N#Cc1ccc(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)cc1 35425790 DEPATIDGSFGRID-UHFFFAOYSA-N 445.508 2.108 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3cccnc3)n2)cc(OC)c1 59310369 KJFANUTZMNWXOK-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)/C1=C(/O)c1ccc(Cl)cc1 102715093 FTLAPWGSXZKGEK-LAFOYAEKSA-N 427.888 2.489 30 10 IEEE COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1-n1nnnc1C1CC1 441117278 APPNQODVHYDXFV-UHFFFAOYSA-N 445.487 2.169 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1CCC 443555697 XMDHVVRLMRQXEG-UHFFFAOYSA-N 448.523 2.326 30 10 IEEE C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCN(c2ccccc2)CC1 462087175 BKXIVIQUZQJOKN-SFHVURJKSA-N 430.516 2.471 30 10 IEEE Cc1nc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 473437036 WXYLWFKOQHEREC-UHFFFAOYSA-N 446.393 2.268 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccccc1C 477634650 NRTWDIQBDLORMH-UHFFFAOYSA-N 437.546 2.083 30 10 IEEE CCC1(CC)CN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CCS1(=O)=O 481071168 HYPDUODSTGXVME-CQSZACIVSA-N 427.548 2.193 30 10 IEEE Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1ccc(C#N)c(F)c1 506910011 GMVSDRIOINLEIF-UHFFFAOYSA-N 441.488 2.397 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508489265 MTIYYFKNIIAFOZ-UHFFFAOYSA-N 448.531 2.458 30 10 IEEE COc1cc(Br)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 544836597 AADNSEMHUBPRPP-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 557193571 DVPZJWYJIXHYAA-UHFFFAOYSA-N 430.526 2.071 30 10 IEEE C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1(S(C)(=O)=O)CC1 562116524 WPJUYTPHYBMKFJ-LLVKDONJSA-N 437.572 2.789 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CCC(=O)N(C)C)CC1 566022469 JGWXYTJCEMKFHT-UHFFFAOYSA-N 426.565 2.054 30 10 IEEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 609744115 HTVBSCXKFBKVKU-GOSISDBHSA-N 428.514 2.487 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Cl)ccc1I 731862226 ARKXURSNPAHUQL-FYWRMAATSA-N 445.644 2.201 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CCN1C1CC1 732706068 DHBNZXNHKXDSIJ-HXUWFJFHSA-N 435.553 2.448 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2F)CC1 756891515 NJADMWLLTKSCOW-MJGOQNOKSA-N 445.539 2.456 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)ccc1F 771299820 QDUGUOVMWIJEFX-OAHLLOKOSA-N 428.551 2.465 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 771588525 DJJKEZUPQFAIJG-MBSDFSHPSA-N 426.517 2.070 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCCN(C)c2ccccc2)N(CC[C@@H]2CCOC2)C1=O 784123025 ANMJHCMEZIZODB-STDREXKUSA-N 432.590 2.376 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)n1 788814336 NOQRFWBULADBHG-SFHVURJKSA-N 436.578 2.234 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1 790105916 HRKZWOKZAYXJNE-AEFFLSMTSA-N 434.537 2.252 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 793195306 JONRUTBNRPSJLS-OAHLLOKOSA-N 432.329 2.116 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccs2)CCN1C1CC1 802701024 CPRHYQWKYUTKSB-MRXNPFEDSA-N 434.529 2.212 30 10 IEEE N#Cc1ccc(CNC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)nc1 810692923 SLHQCARULKBCQV-VXAPCQRLSA-N 438.487 2.049 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c1 1084085557 KEEFDGMGZJDHHH-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](O)COc3cccc(F)c3)C2)C1 1150090712 SLZGZPIIFYOUOL-UDCJOXCSSA-N 447.507 2.468 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(C#N)cn1CC 1206508304 DHOXASZUXWWWNY-HUUCEWRRSA-N 449.508 2.312 30 10 IEEE CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 1211110914 HNEWPLPROMMFJC-XOKHGSTOSA-N 428.352 2.193 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCCN(c3ccccc3C#N)CC1)CCO2 1248651741 SFBRXWXOQAGUES-FVRICEFQSA-N 426.517 2.281 30 10 IEEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1251337691 KPGDORMQBSLKTC-OALUTQOASA-N 431.496 2.492 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(C)CC1 1286400750 FXHXOXSYQLQRMS-UHFFFAOYSA-N 425.558 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)C(C)(C)C 1286416750 RARMCGQGNQRILN-UHFFFAOYSA-N 432.521 2.282 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1286444539 ZZOHTZQURIDLIQ-QGZVFWFLSA-N 433.516 2.312 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1286451226 VRVPZOULKAHMBX-FQEVSTJZSA-N 448.365 2.146 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(N)=O)CC1 1286500097 RHSUGYWJZFXDLS-UHFFFAOYSA-N 429.546 2.030 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1286521960 FTFZQTRXKSCSRF-HRAATJIYSA-N 432.521 2.390 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286623880 YMKDDBSTZCZKFM-KRWDZBQOSA-N 446.895 2.433 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286713975 KFLKFTOGEZAWQN-UWJYYQICSA-N 434.562 2.207 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CC1 1286767662 CYDWVGKJGZTLSX-UHFFFAOYSA-N 438.532 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCO[C@@H](C)C2)C1 1286807264 ADFNRSUAFKYPHI-RBUKOAKNSA-N 427.553 2.017 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOC1CCCC1 1288842270 YAHINVQOVYDIKU-OXQOHEQNSA-N 438.598 2.368 30 10 IEEE CO[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1299571677 QLTKAGDHHHAXGZ-HNNXBMFYSA-N 438.561 2.262 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300368640 ZWJZZTJDHGOTHC-HXUWFJFHSA-N 442.589 2.072 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1ncn(C)n1 1300656187 AUYCBCNCMSNZLZ-UHFFFAOYSA-N 436.339 2.032 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 1300665644 MNTHLZIOWQCXQI-HXUWFJFHSA-N 446.573 2.252 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1300706220 JFFPFADVKIZTRT-SJORKVTESA-N 438.498 2.449 30 10 IEEE COC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1)OC 1301013957 YDCUSSCWMFCHAR-KGLIPLIRSA-N 436.310 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(C)C 1301587416 ZKVPRTWRCWGEKS-UHFFFAOYSA-N 430.534 2.287 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1302175221 UNSSVPWPAZMYQY-HXUWFJFHSA-N 442.589 2.107 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)c1 1306887886 KNZBMVYEDWTKTJ-YTQUADARSA-N 446.326 2.054 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COc2ccccc2C#N)CC1 1307412750 GWVGEIAJZMGNTO-UNMCSNQZSA-N 443.931 2.483 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 1308111821 YFVKHHBXVWUJON-UHFFFAOYSA-N 441.528 2.292 30 10 IEEE C#CCOc1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1310304161 XMFVLIKDXJAXRB-MRXNPFEDSA-N 428.489 2.040 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1312837579 FAAUZZLBNVXBHQ-SFHVURJKSA-N 442.545 2.038 30 10 IEEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1314337990 CGRQMUKSVLCDHI-KRWDZBQOSA-N 426.512 2.301 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1F 1315507368 RUUKHHKMIVZVSQ-VGOFRKELSA-N 445.495 2.243 30 10 IEEE COCCN(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1316067486 DMQYYQPIHNDUMO-QFBILLFUSA-N 448.955 2.378 30 10 IEEE CC(C)c1nnc2n1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)[C@@H]2C 1352119625 DFFNJUWARFVDEF-PBHICJAKSA-N 435.488 2.082 30 10 IEEE C=CCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 1355966275 XNVGGEHOKYVEKL-UHFFFAOYSA-N 429.542 2.369 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)SC)c1 1358900231 FZINYYAEKLIVSH-INIZCTEOSA-N 440.573 2.322 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1358910934 FUKVXVJIZSHBQX-ZVDOUQERSA-N 442.608 2.358 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1358912629 VEIRKQQOFSDLSC-LJQANCHMSA-N 437.548 2.144 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1358915565 IAJGUZQINVEETL-UHFFFAOYSA-N 449.563 2.068 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358937679 DWOBRJAHSLKZKJ-QGZVFWFLSA-N 429.484 2.048 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358941306 FDCMRUQPBAYTGW-UHFFFAOYSA-N 442.476 2.216 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)(C)C)cs1 1358978843 WGQHFIYDPGMJDF-OAHLLOKOSA-N 431.587 2.055 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(COC)CCOCC2)CC1 1359033741 OFNKARMQPOCVRI-UHFFFAOYSA-N 427.524 2.283 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359096894 IJHZESLXSOFSPJ-GGPKGHCWSA-N 441.580 2.353 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1359106111 XSTOFJTUTLATCN-VGOFRKELSA-N 441.532 2.125 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1359232450 VGUZLKUXRNXMTL-HSZRJFAPSA-N 427.549 2.437 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1Cl 1440042314 CFJPPTMIWQOXEW-UHFFFAOYSA-N 437.909 2.267 30 10 IEEE Cn1nc(-c2ccncc2)cc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1441134463 GYZFSAXGWNBPTB-UHFFFAOYSA-N 426.484 2.484 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)c1 1463169169 DDGFGTPJQCEVBZ-IBGZPJMESA-N 427.526 2.186 30 10 IEEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 1464425130 CAGVOQCIVPOZOC-HAQNSBGRSA-N 426.336 2.110 30 10 IEEE C#CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]1CCOc2ccc(Br)cc21 1465179538 GPXFXLAVEUOFDV-IUODEOHRSA-N 429.336 2.062 30 10 IEEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1CCOc2ccc(Br)cc21 1465179540 GPXFXLAVEUOFDV-WFASDCNBSA-N 429.336 2.062 30 10 IEEE Cn1cc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(-c2ccc(C#N)cc2)n1 1469755885 FRYCXADWKZSHAB-UHFFFAOYSA-N 446.471 2.294 30 10 IEEE CC(C)(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 1470059874 KXTZXNBWHACBNT-UHFFFAOYSA-N 443.525 2.439 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 1470544314 HSCXQCHDHZBFAS-IKGGRYGDSA-N 443.552 2.262 30 10 IEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1474960548 CIHKWYOOVHXDSY-HXUWFJFHSA-N 443.525 2.018 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C 1502251263 IECQQSRXYSTECI-DLBZAZTESA-N 442.589 2.313 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1504957394 BECZXIUYSXGKPU-WMZOPIPTSA-N 439.582 2.099 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1507611272 NXYLDOIHQQXPEO-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN(CC)C2CC2)CC1 1507722740 GWNIIDOWYKIBMD-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1 1507743793 JTMMKFKTHCUQGA-SFHVURJKSA-N 431.537 2.500 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1507803835 JBLUWAZNWXSGEA-UWJYYQICSA-N 445.589 2.259 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1507955006 UFMNZZOBOGUODK-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCOCC2(CCC2)C1 1508086205 MLQVCCLQIXZIMF-UHFFFAOYSA-N 431.487 2.456 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1508092388 BJWCCSZKJUCTFQ-NRFANRHFSA-N 431.512 2.206 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1508093886 XQJWNCWXMSMBLK-UHFFFAOYSA-N 426.546 2.363 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508115079 HNCYKYFQRLEXBS-ROUUACIJSA-N 429.521 2.123 30 10 IEEE CC(=O)N1CCC(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1508207507 NPVSHALUMHKCFA-JTSKRJEESA-N 432.569 2.173 30 10 IEEE CCCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1514479371 COXUXQWMSZZDFZ-FQEVSTJZSA-N 437.552 2.222 30 10 IEEE C#CC[C@]1(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CCCN1C(=O)OC(C)(C)C 1519915696 HHQZAVNJXWYXLY-IFXJQAMLSA-N 431.455 2.449 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 1535546185 RAARZNAFKCHOPP-UHFFFAOYSA-N 440.548 2.073 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 1539288266 BPQYLHDUEKNFHI-UHFFFAOYSA-N 434.887 2.126 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](OC)c1ccc(Cl)cc1 1539413766 NXHNLBQLXFFIBC-QZTJIDSGSA-N 431.924 2.356 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1539643437 WBOQZMVEKLCRTN-HTAPYJJXSA-N 441.532 2.173 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)CC 1540056779 UNRZRNOJLRGELW-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1540170562 OYEVDERSWXEMBM-FQEVSTJZSA-N 445.589 2.455 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1540177930 WAFLEBYJBMABTP-IAGOWNOFSA-N 425.599 2.267 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)n[nH]2)c1C 1540538281 FLDBQEKGPUOASD-UHFFFAOYSA-N 442.545 2.256 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1540874402 FTTJKYLICZSVHL-OXJNMPFZSA-N 436.516 2.035 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1542028182 SOGNTGUGSNCKTR-JOCHJYFZSA-N 437.479 2.427 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1557299486 PQLCHEUMUXPIFI-XMMPIXPASA-N 442.560 2.401 30 10 IEEE C#Cc1cncc(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)c1 1557680295 HWEHQIYIIXBAEH-UHFFFAOYSA-N 428.533 2.431 30 10 IEEE COC(=O)[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1558546984 XLHWFRWJNOWMEA-QZEKMECESA-N 425.485 2.440 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1)C(=O)OC 1561512399 XHSKZIAAVGDBQY-CQSZACIVSA-N 427.500 2.101 30 10 IEEE C[C@H](CC(=O)N1CCC(F)(c2ccccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1568767656 AZJIPAWHXDDPJG-OAHLLOKOSA-N 430.505 2.386 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(COCCOC)cc1 1587550897 VKKUKHCKIMEOJM-SFHVURJKSA-N 425.533 2.183 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1587673460 OIUMMPYPAQLRIQ-IAGOWNOFSA-N 445.951 2.463 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1587739744 ZIPLQPPAWXAUIH-UHFFFAOYSA-N 428.500 2.207 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1588040432 MWZJNISSAMUJHB-GOSISDBHSA-N 432.546 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N(C)C)CCOCC1 1588078101 AZVYJVFLUOHHNB-UHFFFAOYSA-N 448.571 2.331 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1588258800 IYOBSNRSBBTMNJ-UHFFFAOYSA-N 447.442 2.352 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(C(C)=O)C1 1588620269 QZDAEXDYOFFDNC-IBGZPJMESA-N 425.533 2.298 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1593873484 YFWDVHGMBSTODK-GASCZTMLSA-N 436.944 2.304 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1594226515 NCSAHDDCLLDWMI-UHFFFAOYSA-N 426.613 2.355 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1594813053 NIZJHKNVMDMSIP-UWJYYQICSA-N 440.610 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C)C1 1595822652 IMQYGHIOIBNPBO-GOSISDBHSA-N 434.562 2.300 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1596171836 GBBWXVMDYIFPKZ-UHFFFAOYSA-N 426.431 2.125 30 10 IEEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1597180511 BPVTXACTICZFNQ-ZJYNUGOYSA-N 436.520 2.134 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(CC#N)n3)CC2)c1 1598032947 ZGSPXCFTZUJJGW-UHFFFAOYSA-N 426.498 2.390 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)c1Br 1615729622 MUVBCETXFLAXGR-UHFFFAOYSA-N 427.302 2.378 30 10 IEEE C=CCOc1ccc(CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C(C)(C)C)cc1 1616221437 LSLDBUPAJKVMRB-UHFFFAOYSA-N 437.606 2.392 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn3c(n2)COCC3)CC1 1616674953 GKDALXCXNDEMAM-QGZVFWFLSA-N 430.306 2.198 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1618126209 HWMOPBGBJVRVPN-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1620838299 MAWYJSJRTXXOLF-AWEZNQCLSA-N 428.482 2.104 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1 1623781036 WKZRBOCZVTXELY-INIZCTEOSA-N 441.278 2.349 30 10 IEEE CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1627160605 OYXGZXOENWWYPZ-BBRMVZONSA-N 428.352 2.087 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1627303841 VBFSFJNSUNUGOY-HUUCEWRRSA-N 427.933 2.434 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(Br)cc1I)C(=O)OC 1629617314 MBOXJOHJPLPLHE-LLVKDONJSA-N 436.043 2.348 30 10 IEEE CCS(=O)(=O)C1(CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1630075580 BXWSKYAQIXDOLY-SFHVURJKSA-N 447.557 2.476 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)cc1 1636903546 NANKLQJZJCAVIB-VGOFRKELSA-N 447.557 2.118 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1 1637777245 LJVIFIRXJXWOBT-OAQYLSRUSA-N 448.491 2.462 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 1640914532 WDDICNFQLBUHQV-LYLBAIIYSA-N 441.509 2.024 30 10 IEEE Cc1ncc(Br)c(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1 1641513370 BBMBRSVTZZZKNY-UHFFFAOYSA-N 441.083 2.344 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)C1 1643888239 JGQLPYOPDONWGG-ZRBLBEILSA-N 448.523 2.367 30 10 IEEE CS(=O)(=O)c1ccc([C@H]2CN([C@H]3CCN(c4sccc4C#N)C3=O)CCO2)cc1 1643948083 FWOJKLKMWJWPMY-ZWKOTPCHSA-N 431.539 2.202 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC(Nc3ccccc3C#N)CC2)CCC1 1644004231 KSHXGVXAXNJYEB-HXUWFJFHSA-N 434.606 2.436 30 10 IEEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1644084002 PQJVZNYUBLNUNB-BEVDRBHNSA-N 426.561 2.367 30 10 IEEE CC1(C)CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)[C@@H]1C#N 1645513883 DLLHDHWKXAQOAZ-ABPVARSCSA-N 427.530 2.248 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OCC 1664947258 KVVRTENYJOGZEP-LBPRGKRZSA-N 430.331 2.096 30 10 IEEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC1CCN(c2ccccc2C#N)CC1 1669374100 AGFMLXAYDHUPRC-FQEVSTJZSA-N 447.587 2.432 30 10 IEEE C#C[C@H](NC(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccc(Br)cc1 1674025478 GCMVLKFSMNQXMK-SFHVURJKSA-N 434.334 2.404 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 1681951305 LABYAYRJFVCHIR-PKOBYXMFSA-N 438.981 2.161 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 1681996183 SNDYAPJNOXBRJV-UHFFFAOYSA-N 442.497 2.101 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690100121 XYQUVHUGVSCGCS-QHCPKHFHSA-N 446.555 2.041 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1690133524 KLKTUMISADGJHF-CYFREDJKSA-N 439.560 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(C)C)CC1 1690144139 NBNUQJYNVUUIFX-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N(C)C2CC2)CC1 1690144353 WCURZBYBMLIMGL-GOSISDBHSA-N 435.576 2.097 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690331140 RCLYCIWXIUJSQO-MRXNPFEDSA-N 426.949 2.092 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1690565966 YZNSQUIFSOPAIC-GOSISDBHSA-N 443.573 2.389 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C[C@@H]1CCOC1)C1CC1 1690672599 XIQYJIVZMSVACG-HNNXBMFYSA-N 431.487 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccs2)CC1 1690720886 SZDALTYCGMTOIW-UHFFFAOYSA-N 444.586 2.329 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1690916133 SMRIFECCHWSEFL-OAHLLOKOSA-N 425.518 2.252 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCOC)C2)CC1 1695889075 SKDUOJRAGJIYHQ-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1705483186 PDMJDRRUSASZLI-CQSZACIVSA-N 444.337 2.340 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1705501301 HRENWINGRSDFKC-AWEZNQCLSA-N 427.896 2.180 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C(N)=O)CCOCC1 1705545015 LXACZLRZJUDJCC-OAHLLOKOSA-N 427.574 2.483 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2)C1 1705652557 DRQPFTDFKNQRIS-IBGZPJMESA-N 425.558 2.458 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1705662883 ORTBAHSWSZDDHU-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1705699944 NJYCQSSWLCYWSN-BQFCYCMXSA-N 435.550 2.094 30 10 IEEE C=C(C)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728535 NSFLEGIRFXACIU-QHCPKHFHSA-N 443.596 2.341 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705899138 JBXPSSUPCDGQTB-UHFFFAOYSA-N 443.573 2.185 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705906940 UHFATRUKQXKVFV-RTBURBONSA-N 426.565 2.387 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CCC2)C1 1705929395 PTBZJMUPRAYYBH-VPTFNQTCSA-N 432.594 2.222 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1nccnc1C 1710166096 CJLCSUIGXURSHH-UHFFFAOYSA-N 439.545 2.029 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc(OC)c(OC)c1 1722356241 DMYMSFONYJWBJP-UHFFFAOYSA-N 425.533 2.465 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1722368773 SQLUMLYAPSAKDN-ZWKOTPCHSA-N 449.602 2.154 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC1(CS(C)(=O)=O)CC1 1722386884 OLUAYBLLHLRMRA-UHFFFAOYSA-N 426.542 2.063 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC(=O)N(C)C)CC1 1722442588 VRHBXYDAIXZMII-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722462530 VKCOIGRMJWORFL-OAQYLSRUSA-N 431.512 2.230 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722498533 BEPZVTQHTZSYJO-ZKXLYKBJSA-N 426.583 2.369 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1722597020 PWGPRXGGLPFQMQ-VAMGGRTRSA-N 441.557 2.269 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1722629409 QIZLOQKYYFIUKD-HSZRJFAPSA-N 443.523 2.230 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(N)=O)CC1 1722689967 CCUXOGZPYSGMEY-KRWDZBQOSA-N 440.548 2.039 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722728207 SAQLNHRIUYXOPU-AWEZNQCLSA-N 432.472 2.058 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1724253100 ZFQQUHDWDYHNLK-DYESRHJHSA-N 430.459 2.449 30 10 IEEE CN(CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 1729533948 AAHOIJYGLZVXJR-UHFFFAOYSA-N 448.497 2.318 30 10 IEEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1731181197 HBIUVMJAMRZSDQ-GOSISDBHSA-N 443.573 2.383 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740568869 SXWYONOOWVYEEO-UHFFFAOYSA-N 428.500 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2cn3ccccc3n2)CC1 1740702057 HQNBIICHDQAAGZ-UHFFFAOYSA-N 433.560 2.432 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740721130 XVOURRDFOFFAJM-AWEZNQCLSA-N 434.591 2.277 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1740851227 RFKLVVCXWIYQEP-QGZVFWFLSA-N 437.610 2.264 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740995376 JNNSPTIYGUJOAC-OAHLLOKOSA-N 449.581 2.420 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1741801320 AVLZFSZXDNCKJW-GOSISDBHSA-N 432.532 2.282 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H](C(F)(F)F)O1 1743246600 ZTPINFMXNLCMER-RRQGHBQHSA-N 437.422 2.388 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCN(C(=O)OC)CC2)CCOC1 1746646233 DGQRUVFJSHFZHJ-HRAATJIYSA-N 434.541 2.147 30 10 IEEE CCOCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1747313822 AGNCELKOHWEVCV-FQEVSTJZSA-N 449.556 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748839632 ZVESXGDVOIUEEN-IBGZPJMESA-N 427.512 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(CCOC)CC2)CC1 1749010673 UXEAPBTZZJYKMJ-IBGZPJMESA-N 429.565 2.302 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749210715 NKEDUYRUKCCNRG-CTNGQTDRSA-N 432.613 2.373 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOCC2(CC2)C1 1749652456 OLVIGRHTKDSJPF-INIZCTEOSA-N 429.496 2.476 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](COCc2ccccc2)C1 1749663421 DPQPPTMWARFLDS-IBGZPJMESA-N 435.532 2.024 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749691134 ZFBHUCKUZANTPB-KRWDZBQOSA-N 433.516 2.405 30 10 IEEE C[C@H]1CN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1752402951 HJZOUOHSGUDVKQ-HKUYNNGSSA-N 430.578 2.160 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(F)F)c1 1760128538 LDAXBTMPRSPQIM-INIZCTEOSA-N 430.459 2.331 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760129607 SRCCTGJQNHLYGL-INIZCTEOSA-N 429.525 2.304 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(N2CCOCC2)nc1 1760180077 WLLWDQQUVMMJSR-UHFFFAOYSA-N 448.527 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)s1 1760209292 AIRMOYBZWKTCGY-ZDUSSCGKSA-N 425.967 2.114 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CCC1 1760220064 VYGKFJXPMJPOJW-IBGZPJMESA-N 447.605 2.044 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(O)c1 1760237571 NKNPFBLHTNLKNI-UHFFFAOYSA-N 425.514 2.492 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760279305 YRAFMUFNUUSDPO-UHFFFAOYSA-N 441.605 2.274 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760432188 GRGUNYSWMDOHHM-HUUCEWRRSA-N 440.595 2.197 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1760437609 IYECQEQDSNKXQZ-MRXNPFEDSA-N 435.532 2.308 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1)C1CC1 1760470681 ZPHHJGBFCLEVGZ-MRXNPFEDSA-N 441.561 2.277 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNC(C)=O)CC1 1760517218 GRIGDEKIACMSNJ-UHFFFAOYSA-N 436.516 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)OC(C)(C)C1 1760519994 XBELBVDZOBDPOT-HNNXBMFYSA-N 427.505 2.022 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2OC)C1 1760541959 IVIHYNUBHGHDDK-RBUKOAKNSA-N 441.532 2.270 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1760569653 VWSLMWAJAUXBOJ-UHFFFAOYSA-N 434.610 2.014 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760695158 BMMSSKCDJSAVFV-WGLILOHCSA-N 437.479 2.130 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1765281076 CPFGUGZLWUKNTF-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCO[C@H]1C(C)C 1766395815 CFKMXMCCZKBAAL-KNQAVFIVSA-N 439.564 2.469 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768633800 IRPJJPLTLGPJMD-QGZVFWFLSA-N 436.497 2.201 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1769695595 MTWBEUPJNMTHOC-JKSUJKDBSA-N 441.479 2.079 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1769719213 XZBGGJLOSHVVRZ-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE C=CCN(C(=O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1)[C@@H]1CCN(C)C1=O 1850564236 PUWLSGROWHZQOH-MSOLQXFVSA-N 441.450 2.204 30 10 IEEE COCc1c(C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)nnn1-c1cc(C)ccc1F 1851411175 CVWWOCGBBODQRK-HNNXBMFYSA-N 438.419 2.105 30 10 IEEE CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)cn4)CC3)nn2)cc1 1851600328 FSGLOIVQEQTVHB-UHFFFAOYSA-N 429.484 2.131 30 10 IEEE Cc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c1 1854637591 VHTGSXKAAMUQER-KRWDZBQOSA-N 425.510 2.248 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 1862747893 WPPQNBFVNQUCSM-SFHVURJKSA-N 427.388 2.448 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCn1cc(Br)nn1 1878211204 LJVSSSOJGOPXCB-LBPRGKRZSA-N 429.319 2.134 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889621372 XVJZLAPUDGAOCG-UHFFFAOYSA-N 433.618 2.231 30 10 IEEE COc1ccccc1CC(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890173957 PHLKLMDLIZCFOW-UHFFFAOYSA-N 427.589 2.275 30 10 IEEE NC(=NO)c1cc(Br)cnc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2153992969 HTCWPSXCNRWBNU-SJORKVTESA-N 432.322 2.028 30 10 IEEE N#C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2174789263 ONSYXYZLYMJHDE-RTBURBONSA-N 432.546 2.248 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](CS)C(=O)O 2229115551 GTPGCIMOUQRFQP-STQMWFEESA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)(C1)C2 2254729814 MWTFDRDYTYKCHG-VLYRJDHGSA-N 434.342 2.363 30 10 IEEE Cc1c(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534614 JTXWTNFWJSOARY-KGLIPLIRSA-N 436.362 2.059 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627973 AZVYBGOKFIWERR-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255633038 VQNARZTXUWAHQM-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255665245 CXTCBFMMDVRTQQ-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2255820759 AXMJGISRUVCGRR-HZPDHXFCSA-N 431.342 2.475 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829368 NZOASIFIJUKWFO-CABCVRRESA-N 431.342 2.332 30 10 IEEE Cc1c(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255831738 AKYVDSUMIZAMDP-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2266992180 PWBLBBREENFLSF-OSYLJGHBSA-N 443.353 2.224 30 10 IEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267006742 QEFFOOBDSUKGAU-GOSISDBHSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267139011 ABZMBCFEEZJKKE-ZFWWWQNUSA-N 448.373 2.378 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)[nH]n2)OC1(C)C 2267146865 NEDDFOGOKLRHGD-MOPGFXCFSA-N 436.365 2.303 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267152752 ORDNCGNOWCPDCN-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2267170765 ZZRCUVBAYRNASI-PXNSSMCTSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]12CCN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267191353 BJWYDFYXMSVOPN-QFIPXVFZSA-N 444.341 2.001 30 10 IEEE CO[C@](C)(CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)COCc1ccccc1 2267197819 OWQYLHGGEHLZEF-HSZRJFAPSA-N 443.353 2.071 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267267429 XEFRRZCPQCAXJI-GJZGRUSLSA-N 446.357 2.199 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267281817 XXCXMMMOQZVXFS-AWEZNQCLSA-N 446.357 2.103 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267488227 SLMJQAOOIWKWMT-HUUCEWRRSA-N 448.373 2.235 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2267498275 TVSITJDXQASDKA-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2267517547 VELMERZSGVIYBI-CQSZACIVSA-N 448.373 2.187 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267600127 AZOQTISIBGWZCD-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE Cc1cccc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267601434 VPNZJQAHEFHYKW-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267609162 MFGZSUCUMZSCQA-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](N)C#Cc1ccccc1Br 2313857212 VQZPLVOZLKVPHU-CABCVRRESA-N 431.352 2.066 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(OC)cc2)o1 2330752375 BUDNEEFSMKFYIF-UHFFFAOYSA-N 443.485 2.477 30 10 IEEE C=CC[C@@]1(CN)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364201829 LOEKVHITDFPOCB-QFIPXVFZSA-N 433.574 2.400 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N[C@H](C)c3ccccc3)n[nH]2)cn1 59886889 PRBGISJIUVPLFR-DGURAOSJSA-N 428.522 2.063 30 10 IEEE CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1 118917063 JLZAERUVCODZQO-NFYPLLOASA-N 446.540 2.469 30 10 IEEE biogenic CC(=O)O[C@@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118938670 FPVRUILUEYSIMD-WJXMRLDKSA-N 434.504 2.467 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)cn1CCOC 434214644 FPGQTVGAHFHWPD-BLLLJJGKSA-N 446.426 2.350 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 438266695 CNYSGYNRRCTSTC-SFHVURJKSA-N 440.569 2.256 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438595810 JREGYBVZNKSEOR-OOHWJJMZSA-N 446.504 2.266 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)C2)cc1 442251775 NWHODYBIRNWGAR-UHFFFAOYSA-N 428.452 2.449 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1 446191465 INCLIFKAIACVON-UHFFFAOYSA-N 434.500 2.393 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460376360 SVJWWXVTYGLBAX-PGRDOPGGSA-N 430.574 2.287 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 460792625 JOOKBPHMIRRBML-IBGZPJMESA-N 429.496 2.434 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1 462400328 FXXXOFXRZOOFKP-UHFFFAOYSA-N 427.404 2.208 30 10 IEEE CS(=O)(=O)N1CCc2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)ccc21 479220746 RYGUXVRRCDKZDM-UHFFFAOYSA-N 438.553 2.297 30 10 IEEE Cc1nc(-c2c[nH]c(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2)cs1 494551934 AQQKNVZPCYBEOP-UHFFFAOYSA-N 441.538 2.465 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506171517 FVDFLIVVNHLLKT-QHCPKHFHSA-N 428.533 2.233 30 10 IEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508930385 DUMXYRJSPMXZQA-UHFFFAOYSA-N 425.533 2.259 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCC1 531145275 DFXKAZIWDHYDLR-OAQYLSRUSA-N 448.571 2.316 30 10 IEEE CC(C)(C)[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1O 541617069 JVOVEKACLMNELM-FUHWJXTLSA-N 441.532 2.184 30 10 IEEE CC#CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOCC)C(=O)O 541931411 WYHUAFWAOSTFHQ-ZDUSSCGKSA-N 434.308 2.009 30 10 IEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 546875238 WNTPCVNNCKKLJZ-HNNXBMFYSA-N 439.903 2.317 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)ccc1F 557155434 NRCBKHFYAYCHJY-UHFFFAOYSA-N 439.556 2.496 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 575909691 PHKYLZUEIJVSKE-SFHVURJKSA-N 435.525 2.129 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(CN4CCOCC4)cn3)CC2)c(Cl)c1 577447430 QLYSTQNHBYLXKM-UHFFFAOYSA-N 425.920 2.401 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl 604036596 BSBYPQBHUWOISK-UHFFFAOYSA-N 439.946 2.475 30 10 IEEE N#Cc1ccc(CNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(F)c1 619032874 HWDSDRTVTLCEFK-IBGZPJMESA-N 442.466 2.353 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670216500 LCQLETUVWORFMK-KNQAVFIVSA-N 437.592 2.219 30 10 IEEE C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730305203 WZPNELMPPXOPLS-CZUORRHYSA-N 438.933 2.080 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732650480 SRYVOQNTRHISDZ-OAHLLOKOSA-N 433.306 2.297 30 10 IEEE Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 732696911 SARRJDDHFDAMBH-LJQANCHMSA-N 431.562 2.374 30 10 IEEE CNC(=O)c1cccc(COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 733813107 DJLROUAHPYEWKY-SFHVURJKSA-N 443.525 2.243 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 737199505 VJAMTJUHMJKRKZ-OAHLLOKOSA-N 431.468 2.310 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(N3CCCC3=O)ccc2F)c1 741549040 RIMOMZWLZUCXKO-UHFFFAOYSA-N 449.482 2.439 30 10 IEEE COc1ccc(COC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 746953537 KAVWDPLAFCYTLQ-UHFFFAOYSA-N 446.481 2.140 30 10 IEEE COc1ccc([C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)NC(C)=O)cc1 754380762 WKHSIGFFFBUWEQ-PKOBYXMFSA-N 430.505 2.234 30 10 IEEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 756911865 YJCKAZVANIPUCR-UHFFFAOYSA-N 439.965 2.177 30 10 IEEE C#CC[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccccc1 757257900 FQNCKYGNVBJLQS-TZIWHRDSSA-N 440.521 2.459 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 763623627 UCJXJVCLQYGNQH-JOCHJYFZSA-N 447.557 2.214 30 10 IEEE Cc1ccc(N2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 764956487 RPZYSAOGSOWZPV-GOSISDBHSA-N 426.542 2.272 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767871637 GCZFWDZIRUNBOY-ZDUSSCGKSA-N 443.575 2.301 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(C(C)(C)C)s3)c2=O)c1 769877299 JFEPOLDHEYJJAS-UHFFFAOYSA-N 447.585 2.488 30 10 IEEE C#CCN(C(=O)N[C@H](C)c1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 774154623 IXWBBTWMSJIMKM-TZMCWYRMSA-N 429.336 2.351 30 10 IEEE COC(=O)C1=C(C(=O)C2CC2)[C@@H](c2c(Br)cnn2C)NC(=O)N1CC1CC1 783939008 NYNQYMWEJAJTGR-ZDUSSCGKSA-N 437.294 2.065 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(c3nccc(OC)n3)CC2)CCCN1C(=O)OC(C)(C)C 790472304 NRUOMMSQSLFMDK-JOCHJYFZSA-N 431.537 2.480 30 10 IEEE C=CC[C@@]1(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CCCN1C(=O)OC(C)(C)C 790876423 YNXLHIUHJFOYHN-SBUREZEXSA-N 445.564 2.373 30 10 IEEE CCCCCCCS(=O)(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 799796862 WQGSJMGGWLIILD-IBGZPJMESA-N 439.626 2.142 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 800631249 KSPXFJQIYNLZFM-SFHVURJKSA-N 430.549 2.411 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)ccc2c1=O 802243103 YEQCRBYJPQHSJU-CRAIPNDOSA-N 429.542 2.169 30 10 IEEE COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802463470 WKOXNTLIJFJFAY-UHFFFAOYSA-N 434.460 2.093 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 805125802 KDJGOCDYPSPEGI-XEZPLFJOSA-N 447.479 2.069 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2cnn(C)n2)cc1 807934125 HDYZNYQTXJEZRP-CQSZACIVSA-N 440.451 2.324 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(F)CCC2)cn1 807937549 GNNGXRSFGXGPRQ-MRXNPFEDSA-N 438.573 2.185 30 10 IEEE C#C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812753124 YXNGMQRCTHFDFT-OAQYLSRUSA-N 430.501 2.270 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 813471386 JLCQVUZESLRKOA-CABCVRRESA-N 426.489 2.163 30 10 IEEE C[C@@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 915405033 LOXBFMSTVBZRFW-CQSZACIVSA-N 438.415 2.120 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(F)ccc3F)n[nH]2)cn1 1084210084 ILXLLPJFNJLWGL-UHFFFAOYSA-N 436.448 2.103 30 10 IEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CCOCC1 1131469805 ZIPVMLXJSHOABC-QFIPXVFZSA-N 430.570 2.121 30 10 IEEE CCN1C(=O)C[C@H](C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)[C@H]1c1cccnc1 1131605477 BHRGILNCYBHFCY-OXJNMPFZSA-N 437.525 2.468 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3OCc4ccccc43)CC2)cc1 1134974852 ISPRNFUTRITBOW-OAQYLSRUSA-N 425.510 2.347 30 10 IEEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1137335812 FUNDSNBZVMWBKK-OALUTQOASA-N 449.596 2.119 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@@H](c2ccccc2)C1 1142264651 VTRGTDSCBULFJR-VQTJNVASSA-N 440.569 2.457 30 10 IEEE C=CCN1CCC(NC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1144417909 MMLIFJOQFZJUFL-UHFFFAOYSA-N 430.574 2.181 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 1146845643 IJIKIBNOHQTZPU-CRAIPNDOSA-N 435.509 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1 1149872177 RSHLFZJCHNPGGK-UHFFFAOYSA-N 441.528 2.327 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C 1150140079 GFZMPYVBOZDUAI-SPEDKVCISA-N 440.569 2.252 30 10 IEEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1151411665 GSPKNTQBFDDGRP-PMACEKPBSA-N 434.418 2.097 30 10 IEEE COc1cc(C#N)ccc1C(=O)N1CCC[C@@H](n2nncc2I)C1 1153149907 UPRCFOBZNLSRIX-GFCCVEGCSA-N 437.241 2.240 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccn(Cc3ccccc3)n2)s1 1157347620 VOHQEJLRABSKOY-UHFFFAOYSA-N 430.555 2.316 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(CCOCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1164160746 PMARHIHRMXRTNH-QFIPXVFZSA-N 425.570 2.139 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c(=O)nc1O 1168394134 UATUNAPTCFYLOI-UHFFFAOYSA-N 448.458 2.213 30 10 IEEE C#CCN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)CC(=O)OC(C)(C)C 1195882672 BOCZKMSWXIXSCZ-UHFFFAOYSA-N 431.558 2.091 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)nc1 1198230162 PBHSKVCQNQIFGQ-SFHVURJKSA-N 432.933 2.275 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)n1 1203097023 FEOJVOCAMWZRHA-UHFFFAOYSA-N 426.477 2.067 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 1208900609 GOJALZOVLFZNRS-JTQLQIEISA-N 426.258 2.483 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 1228177663 IAOFNIBQXPVGRJ-LJQANCHMSA-N 428.512 2.209 30 10 IEEE C#CCC1(NC(=O)NC[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)CCOCC1 1252627134 RLGQPGVARYLRMF-MRXNPFEDSA-N 425.451 2.482 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2cnn(C)c2C)c1 1286312643 XLULXKCOFDBBRR-HXUWFJFHSA-N 433.516 2.276 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1286346664 BLLLGGLFCZXRNN-RTWAWAEBSA-N 436.560 2.282 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1286390982 FWJFRQQLBWWRJQ-OAHLLOKOSA-N 443.545 2.306 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)COCCO1 1286457483 PXTAVNFLWMLTSH-VGOFRKELSA-N 432.496 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CC1 1286460657 OSXMYINYVUYLQR-UHFFFAOYSA-N 434.587 2.330 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCN2CCOC[C@@H]2C)CC1 1286472128 FEGRMOQLSYTITF-GMAHTHKFSA-N 436.604 2.296 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286549729 BHFVSSCWYDKPHP-OXQOHEQNSA-N 426.521 2.109 30 10 IEEE CC(C)CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1287851942 JQIJDDOQGKJCQN-QAPCUYQASA-N 429.587 2.401 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1288525882 RDDNYWRMTWXZRY-NVXWUHKLSA-N 444.540 2.107 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1300423358 MYYPPHZQUMWZAE-UHFFFAOYSA-N 433.516 2.396 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOc1ccc(C)cc1 1300537864 KQUBHQSVDZNVIW-FQEVSTJZSA-N 440.569 2.421 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1300579475 RZXNIWJHEBNSGU-YTTGMZPUSA-N 448.552 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 1300876624 USVDGRMBPLFYAV-FZKCQIBNSA-N 447.552 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1300880788 KUVXWYQDMOKCJI-QRFRQXIXSA-N 427.553 2.155 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300888383 JJCQGXWUYFDHIF-HQRMLTQVSA-N 433.578 2.114 30 10 IEEE C=C(C)COCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1301001930 PZRXEXOXYPINJT-DNVFCKCGSA-N 447.580 2.159 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301188143 GMAYKVMODVURFZ-IEBWSBKVSA-N 432.594 2.339 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnnn1C 1301356623 CHBQUNUBNZKOAK-HXUWFJFHSA-N 429.550 2.361 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1301426112 NGAKXQLSRCVJES-INIZCTEOSA-N 436.557 2.125 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)C1 1301686450 HHLQGZNITPLBSD-NVXWUHKLSA-N 443.577 2.124 30 10 IEEE CC(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1303078420 CAZDEKUDYATPOT-LJQANCHMSA-N 446.577 2.165 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1303426825 BZOMQOFFENCNIX-UHFFFAOYSA-N 425.537 2.082 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(=O)NC[C@H]3c3ccccc3)C2)C1 1303952629 IPMVKQXRHPLHCL-PYQXHLOTSA-N 438.528 2.473 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1316102717 ZPUXZRBFBFCOJW-XQBPLPMBSA-N 433.553 2.267 30 10 IEEE Cc1cc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)ncc1C#N 1349601695 YRSQUWWAJDTYKT-UHFFFAOYSA-N 434.887 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)ccc1OC(F)F 1358981809 YKEZQIPKMBJYKT-UHFFFAOYSA-N 443.454 2.132 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)C1CCCCC1 1359023526 NADICKYORQJGII-QHCPKHFHSA-N 443.548 2.423 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)C(F)(F)F)CC1 1359031228 UVTPNFCFUUZGCD-IBGZPJMESA-N 429.487 2.274 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)nc2)CC1 1359039266 BIELFXBYTXVJRZ-TZIWHRDSSA-N 438.576 2.404 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359051419 VYTLDHIELMGUFL-ZWKOTPCHSA-N 440.529 2.467 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(NC(C)=O)CC1 1359060738 GNEOKKCWFIQVGJ-UHFFFAOYSA-N 443.573 2.337 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1359071257 JVZKMUYHRVCRSV-HXUWFJFHSA-N 435.981 2.406 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(C)CN(C)C1=O 1359255341 VCJBBNCHMWJORH-WZONZLPQSA-N 425.533 2.462 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359300122 UNMKRNQEZPGOQP-KRWDZBQOSA-N 441.532 2.309 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1359321322 DYORYJLBXOEVKQ-CMKODMSKSA-N 443.523 2.047 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCSC(CC)(CC)C1 1359330986 JKGARHIZOFJEKY-UHFFFAOYSA-N 438.623 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359332773 GXCAZAFOUDZHPH-OXQOHEQNSA-N 426.583 2.024 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1359351297 FQJVKQPXJAURQO-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)NCc2ccccc2)C1 1441292890 QZEDVSHGMDKJGG-UHFFFAOYSA-N 427.302 2.190 30 10 IEEE CCOC(=O)c1ccc(N2CC(NC(=O)CCCOc3ccc(C#N)cc3OC)C2)nc1 1447604243 LEERJVLBRICKGV-UHFFFAOYSA-N 438.484 2.303 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1450974597 RLAAZCMIHQPXHM-CABCVRRESA-N 428.555 2.209 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C 1451185026 UVYXQQKWHZBHAZ-AWEZNQCLSA-N 426.311 2.359 30 10 IEEE C=CCOc1cccnc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1461312249 UVBSMYHOHLNMSL-UHFFFAOYSA-N 431.514 2.482 30 10 IEEE N#Cc1ccc(NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)nc1 1463970236 KQRQPNNPCVQMTG-SXGWCWSVSA-N 425.445 2.357 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1464930526 NHRFQXDVOXTHKN-MJGOQNOKSA-N 449.596 2.165 30 10 IEEE C#CCN(C(=O)Nc1ncc(C(=O)OCC)n1C)C1CCN(C(=O)OC(C)(C)C)CC1 1466467638 HJDFZJWBXZOPDN-UHFFFAOYSA-N 433.509 2.463 30 10 IEEE C[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(C(=O)c2ccccc2)c1 1472370942 MJSARUHZYDDQRK-OAHLLOKOSA-N 428.448 2.239 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](F)COC)C2)CC1 1502334610 LRQIUDMVDDTEKK-NHCUHLMSSA-N 441.555 2.017 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1503357201 RQESJXURIZKQMM-PGRDOPGGSA-N 426.496 2.364 30 10 IEEE COC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503911288 DPVCWOQKFWSGGV-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE COC1(C(F)(F)Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1504012222 URSGEIGPDRZZGC-QAPCUYQASA-N 443.470 2.445 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)CCN1C1CC1 1505321745 DVJXKLDPEHMJHV-QGZVFWFLSA-N 430.503 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1-n1cccn1 1507541672 HWDVYNJCBQCMGQ-MRXNPFEDSA-N 446.540 2.357 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1507623484 SXJOCIWMUPLPHR-IBGZPJMESA-N 432.594 2.382 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1507631442 PQLKDFAHSOAOQP-GOSISDBHSA-N 431.562 2.092 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC(C)C 1507699104 BPPBSKODEDLBEA-UHFFFAOYSA-N 449.490 2.229 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(N(C)C)nc1 1507709738 YNXWARGVYJUJFW-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCCC2)CC1 1507731994 HIMBWBLNOWFFKJ-FQEVSTJZSA-N 440.567 2.483 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1507732052 RVXLGNCLKDZDAS-OAQYLSRUSA-N 436.560 2.128 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCn2cc(Cl)cn2)CC1 1507734925 DCMPMAAWAYHKNG-UHFFFAOYSA-N 437.935 2.461 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507749918 BNRBTKYLSLOUOQ-UHFFFAOYSA-N 435.557 2.007 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)(F)C1 1507775686 UEDHYIOZAJKRBR-JTQLQIEISA-N 442.330 2.278 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1508010221 NSVGXAQFSMMGDN-SFHVURJKSA-N 431.924 2.455 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC=C(C)CC1 1508072816 KRBMOYPDOJWZAC-UHFFFAOYSA-N 443.577 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1508136406 FYTFVOISXQAZTD-VQIMIIECSA-N 434.562 2.416 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1508757266 AQJMYHGBZJXSSS-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1509953898 MDXRRQNTPYLDGJ-HOTGVXAUSA-N 436.557 2.486 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1516004946 BYKMUKBRPBDSMX-SBUREZEXSA-N 437.548 2.219 30 10 IEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nn1 1526049668 BPUCYPKOBMANQR-UHFFFAOYSA-N 431.562 2.106 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1539202703 KJQYQJVBJXIYIG-DLBZAZTESA-N 444.557 2.042 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OC)C1 1540861993 NWYAGKOKFYKCQB-SFHVURJKSA-N 426.521 2.065 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)(F)F)C1 1540894345 VRYRWOQAMQWAJP-OAHLLOKOSA-N 441.429 2.468 30 10 IEEE C#CCN(C(=O)Cc1c(C)nc(O)nc1O)[C@H]1CCOc2ccc(Br)cc21 1543685696 MESPZZSXEWSHOA-HNNXBMFYSA-N 432.274 2.487 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCCOC)CCOC1 1547921619 NYEZNXSREGVKHM-OFNKIYASSA-N 441.532 2.416 30 10 IEEE CO[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1554648188 HQLKAXURGFKIAX-HTAPYJJXSA-N 439.495 2.305 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1557746675 GOUQCPUWUGEFSX-IYARVYRRSA-N 435.546 2.425 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1 1557915993 KAXBBASGQRNCFQ-JOCHJYFZSA-N 440.525 2.037 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(N2CCOCC2)c(Br)cn1 1570363033 NIWVYGJMTMWSEY-UHFFFAOYSA-N 430.258 2.400 30 10 IEEE Cc1c(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc(Br)c1C#N 1585591446 VTXLCFFTCWBGGW-FITDYDNJSA-N 432.274 2.119 30 10 IEEE N#CCN1CCN(C(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)CC1 1586493686 BXGDDUXHNGEENP-LBPRGKRZSA-N 425.274 2.371 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588030501 WOBNQCWQBGVGNH-OXQOHEQNSA-N 436.603 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N2CCOCC2)CCSC1 1588112904 CNAONNBWHLBKPC-XMMPIXPASA-N 446.580 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1c(OC)cc(OC)cc1OC 1588214015 FMUZBMUSSYQNGF-UHFFFAOYSA-N 448.527 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OC 1588233716 PHASEFPBPLRTNJ-GOSISDBHSA-N 445.564 2.474 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1589047702 GDXVFBOAEGEGNI-NRFANRHFSA-N 425.562 2.136 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1589097548 SJXQDBWKNHVMPH-UHFFFAOYSA-N 444.649 2.122 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1589514990 KMFWGJSQLFYXFF-PKOBYXMFSA-N 431.562 2.335 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1594692724 DOUOZWHWIUNBPO-NRFANRHFSA-N 431.562 2.277 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1 1594784284 VXGRKOBITMTSSU-UHFFFAOYSA-N 430.528 2.475 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)nn(-c2ccc(F)cc2)c1N 1595533014 HGHJDUKMMQFINY-SCTDSRPQSA-N 438.507 2.209 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1595602277 ITTDBEPBBDJSDS-VGSWGCGISA-N 435.569 2.016 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOCC2)CCOC1 1610432716 VJVHTHAPFMXEJB-HSZRJFAPSA-N 446.596 2.171 30 10 IEEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c([N+](=O)[O-])c1 1612171558 ZIWXTYMJIUZWRA-UHFFFAOYSA-N 425.829 2.165 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1613431256 FALXHUXLPPWERO-RSPOEFSDSA-N 449.559 2.278 30 10 IEEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CC#N)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614466871 YTBSWTZLBNCNMW-UBIZLHLJSA-N 442.556 2.294 30 10 IEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1)S(C)(=O)=O 1617786704 AXCMSBYKERJZKI-FUHWJXTLSA-N 432.525 2.207 30 10 IEEE C[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)c2ccc(Br)cc2C1=O 1617948201 ZLALWBGPSQWAFZ-GFCCVEGCSA-N 447.285 2.298 30 10 IEEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 1622584206 CLSQCNWYIAEDLM-UHFFFAOYSA-N 431.514 2.434 30 10 IEEE C#Cc1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1 1624424066 OPCMQWXHBYMOHX-IBGZPJMESA-N 432.929 2.171 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ncccn3)C3CC3)CC2)cc1 1626485612 DBFWVTPPCZJIHO-LJQANCHMSA-N 425.514 2.016 30 10 IEEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)COc1ccc(C#N)cc1OC 1637096223 DVEGUGDPFIQSBB-QGZVFWFLSA-N 433.505 2.430 30 10 IEEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1638266804 SNWSKFOTAYBXBU-CVEARBPZSA-N 449.573 2.332 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C)[C@@](C)(CO)C2)cc1[N+](=O)[O-] 1640825593 ZNADMQRBTLGEBI-LHSJRXKWSA-N 427.461 2.471 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(C#N)CCOCC1 1647904896 YPETVPJKFUBKGR-LJQANCHMSA-N 430.549 2.448 30 10 IEEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1648850566 VZBNCHLDILCSNN-FQEVSTJZSA-N 442.493 2.210 30 10 IEEE COc1ccc(NC(=O)Cn2c(C#N)nc(C)c2C)cc1S(=O)(=O)N1CCCCC1 1656767666 ZBFRRPSVRONJKU-UHFFFAOYSA-N 431.518 2.194 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccnn2C2CN(C(=O)OC(C)(C)C)C2)c1 1674954179 FNEQDBYGKRURGE-UHFFFAOYSA-N 438.488 2.416 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)CCO2)cc1 1681695638 AZVMWDGPTWWQKM-JOCHJYFZSA-N 434.496 2.314 30 10 IEEE C[C@H]1CN([C@H](C)CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)O1 1683629396 DUJBOOAZUIRBFB-ZACQAIPSSA-N 442.520 2.136 30 10 IEEE C#CCN(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1683776903 XQEQFBWBODEZHR-XMSQKQJNSA-N 434.558 2.118 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1689907975 RSTMLKHMSLNZSP-UHFFFAOYSA-N 434.544 2.280 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1689908012 SXGYUSZWWHEOQQ-TZIWHRDSSA-N 444.624 2.210 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1689930077 KHZRXQCJFUMHJK-LPHOPBHVSA-N 429.546 2.106 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnn(C)c2)CC1 1690113365 HSTPSXADKDNVGJ-UHFFFAOYSA-N 440.349 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(CC)cc2)CC1 1690144396 XPQBJQOTQUEGSG-NRFANRHFSA-N 448.571 2.000 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1690190412 UBGFSUXCUSGQFD-BBTUJRGHSA-N 436.626 2.145 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690481493 HBMSFSPRNVAVGC-HOTGVXAUSA-N 427.505 2.266 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1690511298 WPXJLQXCWOPRBA-UHFFFAOYSA-N 449.559 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690724558 RPTKIDWCXHOYSQ-MSOLQXFVSA-N 438.594 2.252 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CC=CCO1 1692537837 DCSCLFJPNJMLBZ-WOJBJXKFSA-N 436.516 2.211 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1692579435 AYQWZMAAFVLPFA-DENIHFKCSA-N 433.553 2.254 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1694211376 COAMFSDOSBLEKX-FXAWDEMLSA-N 449.559 2.323 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1695694668 DUECRNOOMUOSFF-JOCHJYFZSA-N 448.575 2.424 30 10 IEEE CCSCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696557666 IKUPYQVXMVBTGV-UHFFFAOYSA-N 429.550 2.094 30 10 IEEE CO[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1697151306 ASIWNIGNTZPBDZ-SJLPKXTDSA-N 447.561 2.138 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1705476937 HDUTUVDFHRUSMS-HZPDHXFCSA-N 443.573 2.385 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1705569496 DFQMUJZGKYSROM-GCJKJVERSA-N 448.589 2.221 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1705608668 ZTHOZMRKIBRRHK-HSZRJFAPSA-N 427.549 2.267 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705752047 GRPDKOHRSKBXNJ-UHFFFAOYSA-N 427.896 2.099 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705829516 UBNCHJHDZVBIHN-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1705844301 ZNCGSTRRIBJRFP-HOTGVXAUSA-N 448.568 2.123 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1COc2ccccc21 1706878789 GXZXFEUPHRNDIX-CKJXQJPGSA-N 444.561 2.195 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCS1 1708234716 SNCJNXVWQDRFNA-QFBILLFUSA-N 429.546 2.476 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCN1c1cnn(C)c1 1708704115 AITDUSJGBHVBOY-SJLPKXTDSA-N 441.584 2.195 30 10 IEEE COCCOCCCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712613498 QYQMFCVBIJSOIM-LJQANCHMSA-N 442.520 2.108 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722338940 NQSMBRDUTQBBPR-UHFFFAOYSA-N 431.544 2.008 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722362598 NTOWHRAGKLWOHI-WBVHZDCISA-N 449.964 2.047 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCN2CC)CC1 1722442514 YMKSJCVBXDPPNK-FQEVSTJZSA-N 438.576 2.105 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1722531668 WJGPGOMONYCDAZ-GOSISDBHSA-N 449.577 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722726378 DFJHZZJMLXBAAM-OAQYLSRUSA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccoc1C 1722728233 SSVJWIZFXGBWSA-UHFFFAOYSA-N 447.517 2.144 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722852147 ZMMFPFJGUDXYIU-LJQANCHMSA-N 432.532 2.145 30 10 IEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CCOC1 1729954441 QDFLAIBWJDGXOT-DENIHFKCSA-N 427.505 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1740545473 QPKKIJQJCOEQMK-MRXNPFEDSA-N 428.562 2.223 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1740556797 GELAQECQKPVVOE-MOPGFXCFSA-N 436.560 2.394 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740571167 XJIHUTZSEDSCNW-INIZCTEOSA-N 425.489 2.407 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740592573 ZPCYAGJRJVGVCB-VJANTYMQSA-N 435.594 2.039 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740595155 NSHFIUGHVDGVFV-UHFFFAOYSA-N 429.532 2.146 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1740608279 NKNVGQHVJCVCDL-HTAPYJJXSA-N 433.553 2.268 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1740893019 UTACDXYMYXUDSV-JOCHJYFZSA-N 426.521 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C(N)=O)c2)C1 1740981635 PTSJUQNLQYZSDB-OAQYLSRUSA-N 432.528 2.387 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](OC)C1 1740988323 ANGAOLQHOPGREC-KRWDZBQOSA-N 427.530 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@]2(CC=CCC2)C1 1740993566 AFRRCOIEOZQDEO-JOCHJYFZSA-N 447.605 2.328 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740994090 MKYIHWHCFFRVTH-GHTZIAJQSA-N 440.610 2.402 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1748670817 CIXANUZXPFPAIR-UONOGXRCSA-N 425.605 2.277 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2ccccc2)nc1 1748772342 MXTUZWHZGFRDRC-INIZCTEOSA-N 440.529 2.193 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[S@@](=O)CC 1748907244 QMLASBZXEGMTSE-MRRBFIHVSA-N 447.605 2.280 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCN(CC)C(=O)OC(C)(C)C 1748958709 GRKSQTYFYWHHHP-UHFFFAOYSA-N 429.525 2.078 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC)c2)CC1 1748993689 IKPNKUWAWKCWAZ-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(COC)c2)CC1 1749009690 VTIIJYWISAKJKG-UHFFFAOYSA-N 432.528 2.434 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1749235512 RXOMOJFIIHHBCJ-QHCPKHFHSA-N 428.533 2.488 30 10 IEEE COC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1749340977 VKLHIPXSLNYZLY-VQTJNVASSA-N 440.548 2.032 30 10 IEEE C=CCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749440280 WKHAXKIBAVZOMP-NFBKMPQASA-N 433.597 2.443 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1749487467 DZJHPKABMHJLQV-HXUWFJFHSA-N 445.589 2.038 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1749683987 MRKSWZMSEADYTN-WIYYLYMNSA-N 449.511 2.313 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)[C@@H](C)CC)C1 1749713597 VHTLKHOQIQEBHQ-BSDSXHPESA-N 426.583 2.023 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1749980888 YYXSHOXJBKSVMH-QUCCMNQESA-N 449.559 2.084 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@]3(CCSC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750442098 QAQVPIJZHWMMHW-IIUXCQHESA-N 430.578 2.435 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1751261405 OQOCPHKDAAAPRY-WQANXHIZSA-N 447.923 2.340 30 10 IEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 1760274779 SZJDZSPFHVHFRP-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760275660 DIAGVDOOBWVBBF-HXUWFJFHSA-N 436.585 2.342 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760281441 MYORLJIIIQHPHH-PMACEKPBSA-N 444.605 2.257 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OC)n2)CC1 1760445175 BTAFIMTULGUAGE-HKUYNNGSSA-N 443.552 2.094 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760519304 ZFNVQIRYWQURAU-UHFFFAOYSA-N 449.559 2.202 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CCN2CCOCC2)cc1 1760529487 HZZYZDSLUOIBMG-UHFFFAOYSA-N 437.548 2.060 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760555470 GJRFCIJWLODETA-UHFFFAOYSA-N 439.582 2.204 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1761361211 DCMWQBYLXYFPSK-INIZCTEOSA-N 433.520 2.263 30 10 IEEE CCOCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1766202284 IDENPVKTPNNCNY-HNNXBMFYSA-N 432.550 2.061 30 10 IEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1767644659 DUNIDSBYSODVTP-UHFFFAOYSA-N 431.500 2.360 30 10 IEEE COc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)OC)CC2)n1 1768254444 GTSYGXVOGDWXQW-QGZVFWFLSA-N 448.531 2.285 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC[C@@H]1C 1770659120 UBGSCGHLHMVFLZ-DKZVUGQWSA-N 443.573 2.458 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1ccnc1C 1771111231 CSRQPYNEHHJTOP-UHFFFAOYSA-N 447.503 2.166 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(SC)CC1 1771194717 MDDGVXWVKPJCJJ-AWEZNQCLSA-N 444.561 2.433 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(SC)CC1 1771194718 MDDGVXWVKPJCJJ-CQSZACIVSA-N 444.561 2.433 30 10 IEEE CCOc1ccc(CN2C[C@@H](C(=O)NCC3(C#N)CCOCC3)CC2=O)cc1OCC 1849953740 NUZFFIRQACKQOP-SFHVURJKSA-N 429.517 2.269 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N[C@H]2CCN(c3nccn4c(C)nnc34)C2)n1 1852830751 VLVVNKYCVLDQQD-LBPRGKRZSA-N 430.394 2.035 30 10 IEEE C=CCOC(=O)[C@@H](CC(=O)N[C@H]1CCN(c2nccn3c(C)nnc23)C1)c1ccccc1 1853220534 NVNIQIFPOODPHG-OALUTQOASA-N 434.500 2.031 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C(=O)C12CCCC2 1854404916 UKSSSHLTQUSFFM-UHFFFAOYSA-N 430.313 2.444 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)C1 1854881046 ACEQGEDRSSIMQO-UKRRQHHQSA-N 428.386 2.214 30 10 IEEE CN(CC(=O)O)C(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 1858817860 GKDUTRPUGWTGRQ-UHFFFAOYSA-N 443.485 2.459 30 10 IEEE NS(=O)(=O)c1ccc(N[C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)cc1 1860592231 VJSLQOXGMVNULT-NRFANRHFSA-N 445.541 2.021 30 10 IEEE C=CCNC(=O)[C@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861774868 OFNDUKLCZAVNFQ-KRWDZBQOSA-N 427.954 2.325 30 10 IEEE Cc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)N(C)C 1866649261 VNDSBNOKBBECNQ-UHFFFAOYSA-N 428.514 2.264 30 10 IEEE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](CO)C(=O)Nc1cccc(C#N)c1 1867217149 HHDDSODRRQULLL-HXUWFJFHSA-N 430.464 2.055 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869933712 MWYVZGQGSMGRCX-RBUKOAKNSA-N 444.557 2.019 30 10 IEEE COc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1cc(OC)c(OC)c(OC)c1 1870155709 ANAKINVFRSCOSZ-UHFFFAOYSA-N 439.428 2.191 30 10 IEEE C=CCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870684272 TXIYTYZXJPDYFK-UHFFFAOYSA-N 426.473 2.219 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871723506 CCZWVKZRTBRQKI-UHFFFAOYSA-N 428.537 2.424 30 10 IEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 1874341024 ZPHBUUCSEMYRSX-FPQGOQEYSA-N 433.534 2.073 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(OC)c(C)c3)CC2)CC1 1890173686 FHHVQMGNHVCVEA-UHFFFAOYSA-N 427.589 2.195 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cs1 1891212854 MRTALAUBUMCGGC-AWEZNQCLSA-N 428.514 2.241 30 10 IEEE CC(C)(C#CC(=O)O)NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2023917904 SLKGLPAZDOJDLT-HSZRJFAPSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)NC1C[C@@H]2C(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2124542360 DAAAMWHWWAKFFH-PYBGIAKNSA-N 444.341 2.264 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)C1 2249044236 OBIWHQUSQNAWOL-KKWNJKKUSA-N 439.553 2.027 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254636751 ZFGPLRXIJRXCKK-KRWDZBQOSA-N 433.358 2.311 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254802860 YLGZWHXAVDXUSM-VXGBXAGGSA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255343375 WBIUSUMFGYWFRI-UHFFFAOYSA-N 434.298 2.270 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2255710290 IQXHBJIORIOOQM-YOEHRIQHSA-N 431.342 2.395 30 10 IEEE CC[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255817979 DNWIVKQIFGXPRL-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829370 NZOASIFIJUKWFO-HUUCEWRRSA-N 431.342 2.332 30 10 IEEE C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256624956 QGOGSDNRMYRUTD-YOEHRIQHSA-N 434.342 2.049 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267136329 JEZUWDBKCVPRJR-AWEZNQCLSA-N 446.357 2.038 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267137692 OQYZGSCAKIRGQW-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)OC1(C)C 2267139335 FFFPWBBWZCJQTC-OALUTQOASA-N 436.365 2.303 30 10 IEEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267194280 OKFNCSFEDKPKGO-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CC2 2267524686 UAKWXYCHXOOQAF-CQSZACIVSA-N 446.357 2.228 30 10 IEEE CC(C)[C@@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267871292 NQWLFQPOSQRSTE-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873052 NEEXQWVAPVTDLB-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268721601 NNHZOFVGSRHJAQ-INIZCTEOSA-N 447.341 2.083 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2271470272 DNZNBRQUCAMORU-UZUQRXQVSA-N 448.369 2.401 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(O)[C@H](N)C#Cc1cccc(Br)c1 2278735976 VMFUYMQERNHTBY-GPMSIDNRSA-N 425.323 2.173 30 10 IEEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306395 MPUUNXZBUMDVAP-UXMMLNGASA-N 441.833 2.136 30 10 IEEE C=CCC1(C(=O)N=c2ncnc3[nH][nH]c(Br)c2-3)CN(C(=O)OC(C)(C)C)C1 2295080222 GOWLJPPCVKCRQD-UHFFFAOYSA-N 437.298 2.241 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2300340058 NGYRNHNBWRXAKD-CHWSQXEVSA-N 435.355 2.037 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2327902016 VLQGABFROHNJBS-OAHLLOKOSA-N 431.518 2.057 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccnc1 2328988577 GBJDGTKGBCNKCD-KRWDZBQOSA-N 443.577 2.240 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ccc(C#N)c(Br)c1F 2333603024 UQGNEFBXSUNHOQ-JMSVASOKSA-N 430.274 2.213 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2337197010 RHELMHXMIOVFNI-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccs3)n2N)c1 21317755 MGRMUEZLWVPPIX-DJKKODMXSA-N 430.519 2.189 30 10 IEEE C=CCn1c(CN(C[C@H]2CCCO2)C(=O)COC)cnc1S(=O)(=O)Cc1ccccc1 36031284 QMVJYYBCPLONGZ-HXUWFJFHSA-N 447.557 2.197 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 62888417 DZLUHWGFKDKESE-UHFFFAOYSA-N 445.497 2.444 30 10 IEEE COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254300720 KUGUJRMVDRFOKL-YJBOKZPZSA-N 440.587 2.389 30 10 IEEE COc1ccc(N=C2S[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CC(=O)N2C)cc1 254842270 AGVWTPKCAOPWPH-GOSISDBHSA-N 439.541 2.390 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)C1=O 437054858 ZKYVWZOXQGEUGK-UHFFFAOYSA-N 441.434 2.212 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)cc1C#N 444337056 AVKCCKVLPMGIRF-UHFFFAOYSA-N 425.514 2.297 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)c2ccccc2Br)CC1 448465945 KNTFWMOJLIQFTB-UHFFFAOYSA-N 437.382 2.356 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C#N)cc3)n(C)c2)C1 460279952 ZZYZKUVQJONVPY-INIZCTEOSA-N 430.530 2.126 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(I)ccc2C)CC1 481969576 NUMIUJZFGDWXPI-UHFFFAOYSA-N 442.301 2.051 30 10 IEEE COC(=O)c1sc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c(C(=O)OC)c1C 506930747 LXYPXVBXAZJDEF-UHFFFAOYSA-N 443.485 2.251 30 10 IEEE C=CCc1cc(CNC(=O)N2CCOC[C@H]2c2noc(COC)n2)cc(OC)c1OC 508545918 HAZNKKOBORHXFH-INIZCTEOSA-N 432.477 2.245 30 10 IEEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](C)Cc1ccc(OC)cc1 533282550 BPFHNBHVRZMZPP-KRWDZBQOSA-N 425.533 2.465 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCCN2CCC(C(N)=O)CC2)n1 542030127 MDXBUVHFJOYIGA-UHFFFAOYSA-N 443.939 2.496 30 10 IEEE N#Cc1c(Cl)cccc1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 542102571 IMIPOQLXMFPEHE-UONOGXRCSA-N 428.963 2.498 30 10 IEEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1ccc(S(N)(=O)=O)cc1 548952345 JSGBEWQHKRQFLC-UHFFFAOYSA-N 430.873 2.121 30 10 IEEE C[C@H]1CC(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)O1 549288770 TZCOMHJGTACJGP-IRXDYDNUSA-N 434.562 2.168 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2)CC1 549508337 LBJREFMPNGIMFJ-UHFFFAOYSA-N 436.585 2.403 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 555271521 DIGYQYZCIHAOOG-VQIMIIECSA-N 435.488 2.360 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@]2(CCOC2)C1 559011406 XJDKFBFCQWEESW-QHCPKHFHSA-N 436.516 2.247 30 10 IEEE C[C@@H](C(=O)Nc1ncc(Br)cc1I)n1cnc(C#N)n1 562017292 ADFGJOIQPPVYQH-LURJTMIESA-N 447.034 2.112 30 10 IEEE CC(C)c1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)s1 586297489 BIHMDFCVIADOBK-MUUNZHRXSA-N 437.572 2.409 30 10 IEEE CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)Nc1ccc(NC(C)=O)cc1 611088834 CGBKNQMQDJOAKM-UHFFFAOYSA-N 428.514 2.251 30 10 IEEE Cc1cccc(NC(=O)[C@@H]2CCCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)n1 725766639 FGEXXMYWKGFDJL-KOSHJBKYSA-N 446.511 2.337 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCN1C1CC1 732706177 HUFLRLQIHJVLJN-INIZCTEOSA-N 433.965 2.030 30 10 IEEE COc1c(F)cc(CC(=O)OCc2cc(Cl)ccc2OCC#N)cc1S(N)(=O)=O 735344005 LQCMXLVBVHEUPD-UHFFFAOYSA-N 442.852 2.323 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1)c1ccc(C#N)cc1 740250713 PYHBADBJRFCTHO-KUHUBIRLSA-N 431.466 2.434 30 10 IEEE CC(=O)Nc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(F)cc1F 742589913 MYSZBIRYFVFSFS-SNVBAGLBSA-N 436.440 2.379 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(N(C)C)c2)cc1 755086632 MLWCPCQLTNSSDE-XUTLUUPISA-N 436.559 2.366 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757426478 GIQFTNNGDUKGSW-FGZHOGPDSA-N 449.507 2.048 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 758634763 HXFCMZMLEAMJOB-UXHICEINSA-N 446.596 2.339 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F 761105899 OXVTUZRZIWGRQY-HXUWFJFHSA-N 438.419 2.258 30 10 IEEE Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2=O)c(C)c1 788941627 GRTNRSBMCGINRC-RBUKOAKNSA-N 447.543 2.299 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cnn(-c3ccccc3)c2)n1 789968398 PDOTZVTVCVGTJM-SFHVURJKSA-N 434.529 2.493 30 10 IEEE C#CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 795468634 ILKZBWYTVCPDCA-WHBLYCTDSA-N 438.590 2.355 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(Cc3ccc(C#N)cc3)CC2)CC1 795853741 BMTNKASDFGHZMS-UHFFFAOYSA-N 441.576 2.145 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 806747935 HZKPAQROCVRXGY-AWEZNQCLSA-N 442.447 2.327 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 812179428 NWEKPWHDJHTPMQ-SJLPKXTDSA-N 448.568 2.220 30 10 IEEE N#Cc1cscc1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 814611834 CXPLBVDDQIHFBA-UHFFFAOYSA-N 447.538 2.268 30 10 IEEE N#Cc1c(F)cc(CNC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)cc1F 816505215 PZWNYWNGHQQNRT-UHFFFAOYSA-N 428.439 2.407 30 10 IEEE C#CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1nccs1 1126733184 ZZRKXGUNYJXXTF-UHFFFAOYSA-N 428.333 2.193 30 10 IEEE CC(C)(CC#N)CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1129581343 GAONABARZKIYMX-OAQYLSRUSA-N 425.526 2.390 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1132668256 IYBUUYORXLGCHM-CQSZACIVSA-N 441.271 2.114 30 10 IEEE C=C(C)C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OCC 1132934247 CBDKGJAXSBDDAX-CYBMUJFWSA-N 425.279 2.189 30 10 IEEE CN(CCN(C)C(=O)[C@H](C#N)CCc1ccccc1)CCN1C(=O)c2ccccc2C1=O 1160334372 PIKSDANJGXBCFD-FQEVSTJZSA-N 432.524 2.445 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](N3CCC(S(=O)(=O)N4CCCCC4)CC3)C2=O)cc1 1176411632 LGRUINZYZSRZPJ-OAQYLSRUSA-N 430.574 2.334 30 10 IEEE COc1ccc(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1176963490 IDXCTWPMSBXLSO-KRWDZBQOSA-N 445.541 2.213 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1179605605 VLASGIIDYARRLM-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 1186788622 RRXBCQWUWXPZDH-UHFFFAOYSA-N 442.537 2.329 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1 1264687722 GYWKNKTZQWXFLM-YADHBBJMSA-N 449.507 2.491 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CCC[C@H]2C)c1 1286309516 LOVIKSYUEDOKJQ-GOSISDBHSA-N 444.543 2.276 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286388270 MSXJOKYQWAPNBS-PKOBYXMFSA-N 445.589 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H](O)C1 1286434371 YFXLGELSGQRBRY-MSOLQXFVSA-N 425.558 2.284 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C2CC2)cs1 1286461878 ZCIITTBYBGOCJY-UHFFFAOYSA-N 437.529 2.394 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1286494871 QAOXLXUNILKYFW-MRXNPFEDSA-N 447.634 2.122 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286505274 ZJQOOAFMGDPKGJ-ICSRJNTNSA-N 426.590 2.254 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286508469 RZJMOQZDJPNWQK-KRWDZBQOSA-N 432.619 2.305 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286565094 OQEABASCAFRUAD-NFBKMPQASA-N 444.624 2.202 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CN(C)C)C1 1286798580 LNIYAMWPJPUEPS-QGZVFWFLSA-N 427.553 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1286820911 VKWHGRGHENITFC-UHFFFAOYSA-N 439.626 2.162 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@](F)(C#N)C1 1286824453 YNJJKLSYEZRCNT-FQEVSTJZSA-N 433.509 2.208 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286833078 USLRLPLSCJDCCF-APWZRJJASA-N 426.608 2.454 30 10 IEEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 1291107291 HUYYLQKCBVDLCB-JPAWQOSXSA-N 448.637 2.431 30 10 IEEE CCc1nnc(N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1292999383 OOGXPMKYXVYZJT-MIKFWEOKSA-N 439.347 2.387 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1300481947 CLJJSEKEDDVAKP-SFHVURJKSA-N 431.562 2.260 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCOc2ncccc2F)CC1 1300705883 DMBBOGHTKHVWJY-UHFFFAOYSA-N 434.519 2.432 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1301294499 RAPZWQXCLHMDAI-INIZCTEOSA-N 431.545 2.092 30 10 IEEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1301452149 JKKWBYSMDFKQMY-CTNGQTDRSA-N 427.549 2.268 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301651795 GEWNVYYSRYTTMQ-IBGZPJMESA-N 426.521 2.070 30 10 IEEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCO[C@@](C)(C#N)C2)C[C@@H](C)O1 1304193849 YPWVBUGZVQYGTJ-MCFFVMPBSA-N 441.557 2.477 30 10 IEEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n1 1304771096 GYYBLUYJQPKSPD-HSZRJFAPSA-N 432.532 2.422 30 10 IEEE CN1CCN(c2ccc(CNC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cn2)CC1 1311514802 HJVLFKCYIBZVTI-UHFFFAOYSA-N 447.587 2.169 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC(F)(F)C1 1314387942 CTVFOHFFTQCOFD-MRXNPFEDSA-N 448.522 2.490 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1314963912 KCORWSOFIMPIRL-OAHLLOKOSA-N 438.488 2.197 30 10 IEEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1316040233 HPFLJGYSZPSXQP-GOSISDBHSA-N 429.546 2.257 30 10 IEEE COCCOCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1316259374 RLOGTTRXBLFEIA-QGZVFWFLSA-N 442.568 2.005 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C 1316494065 LBFLHICCYYJKIC-HUUCEWRRSA-N 431.541 2.272 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)F)C2)o1 1316531939 VORIUUQOHPDGPY-OLZOCXBDSA-N 425.461 2.175 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)ccc1F 1341111346 JXOWQLMWBQYYRR-OAHLLOKOSA-N 444.528 2.355 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358879089 KMIPJGVGWFMAJJ-ZHRRBRCNSA-N 430.574 2.250 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1358934393 ZVVXYHRWBVDGAU-DENIHFKCSA-N 434.544 2.299 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1Cc1ccccc1 1358992837 YCAZHCPIFJDJTE-VXKWHMMOSA-N 430.556 2.357 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359158040 CKFHMZXZSRSGQD-IRXDYDNUSA-N 438.960 2.092 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359240445 ONNFKIZLJMRDMI-SFHVURJKSA-N 441.561 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1359294835 GQPITYLRLKRBBK-FQEVSTJZSA-N 449.559 2.252 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@H]32)cc1 1359306962 WLWLJDZXNVGETN-KVSKMBFKSA-N 431.562 2.490 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1360173345 VNSRNLGPLHJJTK-IBGZPJMESA-N 438.532 2.468 30 10 IEEE C[C@H](Sc1nc(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cs1)C(N)=O 1435857187 HFOQANRQHRKXSA-JTQLQIEISA-N 430.490 2.487 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1449336340 NQAMXYHLYHAHHJ-STQMWFEESA-N 445.504 2.175 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(Br)c1 1450321006 BFGWZKPSIBLSGT-OAHLLOKOSA-N 429.336 2.254 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2[nH]cnc2Br)CC1 1463627784 BFUMUPWYZOJNAG-CYBMUJFWSA-N 444.742 2.397 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)s1 1464160483 AOJJZIFXOUXCKQ-UHFFFAOYSA-N 447.538 2.437 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1464702918 RIUFHMAANOTQHL-AOMKIAJQSA-N 432.496 2.106 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCCN(c2ccccc2)C1=O 1465080364 XAOHYRLLQZIARM-LJQANCHMSA-N 429.473 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nn2)CC1 1471132011 HSDRMHNSJJNZLP-ROUUACIJSA-N 443.552 2.053 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1504658520 AJJBVHKKBQWKFX-GOSISDBHSA-N 449.515 2.304 30 10 IEEE COCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504754820 HTWNVYFTUJBKAW-QFIPXVFZSA-N 426.521 2.258 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC#N)CC1 1505129172 BHCNPIRUZBQSRR-UHFFFAOYSA-N 445.545 2.281 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507623656 VFMNNZUSVXZXPR-QAPCUYQASA-N 447.536 2.196 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1507629577 URLCTYNPMKQFCX-IBGZPJMESA-N 435.509 2.393 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507633740 GQKPRAGWMVWTAD-SXLOBPIMSA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccc(F)cc2)CCOCC1 1507653103 NCYLLLDJHGEUJV-FQEVSTJZSA-N 435.503 2.190 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507678381 GRAXYZKKZKXIER-QFIPXVFZSA-N 426.521 2.180 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C(C)C)N1CCOCC1 1507704841 LHUZEWOKVRPZCU-IBGZPJMESA-N 446.983 2.436 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)[C@H](C)CC 1507712914 SSGWHUNQRHLEEO-WAIKUNEKSA-N 438.532 2.477 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1507924964 WIBAMSGFHJOVPM-QHAWAJNXSA-N 439.560 2.483 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507966417 RFLQMXWSWSOOGG-IBGZPJMESA-N 440.548 2.280 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1507982829 WOMMFBMYCDNPFE-CQSZACIVSA-N 431.484 2.490 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccccn2)CC1 1508088505 YLPDLCUFMXPKJU-UHFFFAOYSA-N 435.507 2.032 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1508105684 PHGWDRBPVQGGFE-UHFFFAOYSA-N 436.516 2.357 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1508140925 REGSGBUXMJFHBE-UHFFFAOYSA-N 439.488 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCCCCC1 1508148975 ZSFLFXPKXWBRIO-ROUUACIJSA-N 426.583 2.373 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C#N)o1 1509960022 GLYZACWMNAKCSF-HNNXBMFYSA-N 430.472 2.344 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1513414021 XHQZYOSEQUBESK-INIZCTEOSA-N 429.525 2.259 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(COC)cc1 1513923148 GEOLODXOJCLGKJ-KRWDZBQOSA-N 432.532 2.412 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1518750752 RRQIOAOYVXAGKX-IRXDYDNUSA-N 427.440 2.071 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1519276133 MQQRBXGRYPOZGA-MRXNPFEDSA-N 444.536 2.256 30 10 IEEE C#CC[C@]1(C(=O)Nc2ncn(CC(=O)OC(C)(C)C)n2)CCCN1C(=O)OC(C)(C)C 1530357484 VTSLDZTXBCEZEB-OAQYLSRUSA-N 433.509 2.351 30 10 IEEE CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1534628503 BAIQTGVWCXKYIQ-MRXNPFEDSA-N 446.504 2.442 30 10 IEEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1539385551 HZKYWXRMVIXSBG-QAPCUYQASA-N 426.425 2.297 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1540071604 GPLHMJOQAYJAQO-LSDHHAIUSA-N 433.525 2.059 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1cc[nH]n1 1540356002 ZQCSZLXFPALVFX-KRWDZBQOSA-N 447.561 2.344 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(OC)cc2)C1 1540890635 HMDROPNDNFYCCJ-OALUTQOASA-N 427.505 2.098 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(C(C)(C)O)c1 1543318276 VAWFOPATFCMMKW-MRXNPFEDSA-N 432.532 2.239 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1548329748 ADRNBEMICGMYHU-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCOCC1 1555056070 OEDXWJKXAAVWTF-GOSISDBHSA-N 427.505 2.268 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(Cc1ccccc1)[C@H](CO)C1CCC1 1557182738 RTCFFQGADMJYCJ-HTAPYJJXSA-N 441.553 2.415 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 1558101932 APEMXMLQSJIXRV-UHFFFAOYSA-N 434.558 2.250 30 10 IEEE C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1c1cnccn1 1558853588 DBKSTQOTPHSFJB-CQSZACIVSA-N 441.333 2.284 30 10 IEEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(=O)n1C1CC1 1559452797 AHBWPDFEDNJVFL-UHFFFAOYSA-N 439.472 2.350 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1)C(C)C 1562064871 ZKPIFPLQZJVSPK-IBGZPJMESA-N 449.621 2.248 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1565331392 GBFRUYMZHGNRIE-NRFANRHFSA-N 440.569 2.442 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 1583219224 QCSKVCXXRMZENC-KHPPLWFESA-N 427.526 2.309 30 10 IEEE COc1ccc(Br)c(C(=O)NCCCNC(=O)CC2(C#N)CCOCC2)c1 1584889717 VRMDMQHDCFWETI-UHFFFAOYSA-N 438.322 2.404 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1cccc(F)c1 1585228373 KQXZIOKVNVDTBN-CQSZACIVSA-N 436.436 2.024 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1 1586476627 IBXYIVZLFSJYMC-XMSQKQJNSA-N 425.554 2.239 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1587568148 NQGKYXJGALEGHD-XXBNENTESA-N 431.581 2.033 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1587847881 WCIURCFCHGSWBD-UHFFFAOYSA-N 448.506 2.048 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)C1CCCCC1 1588089377 KDSQEVZESCGZPI-XMMPIXPASA-N 441.576 2.183 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C2CC2)ccc1F 1588180361 CVYNAGOMGGYSPT-INIZCTEOSA-N 443.548 2.416 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cccnc2OC)CC1 1588763088 RHZUGLCSKPBHJD-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1594013036 BEGQSOMNFMSXBI-MGPUTAFESA-N 437.566 2.162 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1594533701 FKWRUAUXNYUSKM-BWPNAZKDSA-N 447.605 2.455 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnccn2)CC1 1594824346 HERITYKLBZJKRV-UHFFFAOYSA-N 440.577 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1595722979 PMJHYGUQGUVNTM-RTBURBONSA-N 433.553 2.432 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c1 1595904316 RFUASELYMYGAHE-UHFFFAOYSA-N 439.497 2.229 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1596270634 SPMJZIRUHWVPKO-UHFFFAOYSA-N 425.482 2.252 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1596812940 CHDHHDWHLPBGCP-OAHLLOKOSA-N 437.504 2.121 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)F)C1 1611244176 GXDGEZVDGJDHHZ-AAEUAGOBSA-N 429.445 2.172 30 10 IEEE CCOCc1nnc(N2CCC[C@@H]2c2ccco2)n1CCN/C(O)=C1\N=CC=CC1=O 1616869806 JLJDDWXWBBUIJD-FZFLATATSA-N 426.477 2.276 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C[C@@H](C)O1 1619737806 UCUZFPPPYIXJAO-QMMLZNLJSA-N 441.532 2.252 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1cc[nH]n1 1625666595 GHWAUZLVLHIZOV-QZTJIDSGSA-N 428.489 2.194 30 10 IEEE C=CCn1cc2ccc(NC(=O)NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2n1 1627664491 QZBZNCGWPZHANZ-UHFFFAOYSA-N 442.520 2.423 30 10 IEEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1627747096 PMRRVWIPMGZIFC-XLIONFOSSA-N 432.586 2.389 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)s1 1628159245 VPJLWKPQRITAPQ-AWEZNQCLSA-N 443.591 2.271 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 1632048594 RRHVLDKCMQLSLY-CQSZACIVSA-N 443.227 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccccc1-n1ncc(C#N)c1N 1635047145 BGHHCFDFZMJFRT-HNNXBMFYSA-N 426.477 2.291 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1637505770 INLWEWDBLWLLQB-QBNCKDSPSA-N 434.537 2.446 30 10 IEEE C/C=C\C[C@H](NC(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1638284268 GWYDHUTZNPGLIP-YZNPXCOXSA-N 435.546 2.298 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)CC1 1638958451 DXFXGVMEHHPGJB-UHFFFAOYSA-N 439.541 2.494 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCCCn3cnc4c(N)ncnc43)CC2)c1 1640509252 NDAWIVSDTZHMMJ-UHFFFAOYSA-N 432.532 2.231 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1646214305 JEJFPNYMPGDXDG-DNVCBOLYSA-N 435.546 2.101 30 10 IEEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@](C#N)(c2ccccn2)C1 1647980830 MPERSOFKJYPIFG-HFZDXXHNSA-N 447.583 2.476 30 10 IEEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(Br)cc2n1 1648028929 RVLDXCYUHURVHE-UHFFFAOYSA-N 440.257 2.137 30 10 IEEE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648939881 CUVZJPPERWKYQX-UHFFFAOYSA-N 441.854 2.297 30 10 IEEE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649036016 UFZJCDDQIMVTSX-NRFANRHFSA-N 435.480 2.427 30 10 IEEE C#CC[C@@]1(C(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)CCCN1C(=O)OC(C)(C)C 1653672491 WEYJXSOSBSVFRN-QHCPKHFHSA-N 448.560 2.476 30 10 IEEE C=CCC[C@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1655358695 LTUJBYNLKSGXGE-INIZCTEOSA-N 433.571 2.050 30 10 IEEE COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1660342547 HXYYUIFYKZGFKN-MSOLQXFVSA-N 443.500 2.114 30 10 IEEE O=C(NCc1nc2ncccn2n1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1683255033 WWPLCKKJZMWPKW-YUMQZZPRSA-N 444.286 2.437 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)CC1 1690384507 UKLPIRFBBABPHN-IYBDPMFKSA-N 428.541 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690668042 QNTKZXBDJZIOCL-AWEZNQCLSA-N 426.443 2.134 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1690677873 CVGWFVXUISVKCZ-GOSISDBHSA-N 426.521 2.069 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCOC2)cc1 1690680607 WPQZVBFBWCJZPZ-OALUTQOASA-N 446.573 2.266 30 10 IEEE CN(C)CCOc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)c1 1696616926 FBTHRORNRBHUGQ-JOCHJYFZSA-N 438.511 2.109 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCn2ccnc21 1696902074 BBPOTQQUMWKIGO-LPHOPBHVSA-N 432.532 2.409 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705598843 RMMXPGWJHXEYQG-RTWAWAEBSA-N 437.544 2.220 30 10 IEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCn1cccn1 1705659276 QFOIWYYKMGKZSG-UHFFFAOYSA-N 434.529 2.293 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705681771 DKVBVZFPYYNAHD-OAHLLOKOSA-N 425.375 2.018 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705753796 JMGKHZLVPTUASJ-GVDBMIGSSA-N 425.961 2.292 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)CC1 1705768937 DPKWEXCNKYTHOK-IBGZPJMESA-N 449.552 2.149 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705894071 LQTMSVBZZHPNGF-GJZGRUSLSA-N 425.555 2.159 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)CC1 1705904881 BCFNLEQRKOLFFR-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(Cc1ccnn1C)C1CC1 1705934446 NAEYERUZTVFJNB-UHFFFAOYSA-N 441.561 2.152 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1C1CCC1 1705939089 RRYDATCLMPXXRM-OTWHNJEPSA-N 438.594 2.372 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705942732 BRQOJFDWZWQVLW-UHFFFAOYSA-N 427.534 2.153 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCCn2cc(CO)nn2)cc1 1712879588 GHYWSKQCNWIKNF-UHFFFAOYSA-N 428.447 2.226 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1722279104 AEBFSXUQKGMRCR-IQMFZBJNSA-N 446.515 2.496 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCn1ccnc1C 1722349930 GNVMNJNEYOYTBM-UHFFFAOYSA-N 430.516 2.247 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)N(C)CC)CC1 1722431866 SZNXDPXBEOZRLR-QGZVFWFLSA-N 444.967 2.305 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCC(F)F)CC1 1722432488 ADGCOMYLYIMQHU-UHFFFAOYSA-N 441.486 2.372 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1CCOCC1 1722464879 VBJOVUOYQSJFJD-RTBURBONSA-N 435.638 2.332 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722477152 CXGKVSFISCEPLI-AWEZNQCLSA-N 434.404 2.418 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1722517858 OKRKNRIHZPMUQQ-SFHVURJKSA-N 441.561 2.212 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722542897 AOZJODYKSCEESN-UHFFFAOYSA-N 427.940 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722695363 AMYYOOJPPFQRHF-UHFFFAOYSA-N 449.559 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)C(=O)C1 1722724194 PTAAWVXFRDSJKQ-UHFFFAOYSA-N 449.964 2.010 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCCCCC2)nnc1[C@@]1(OCC)CCOC1 1722731260 ILCACRMBHHPJBV-HXUWFJFHSA-N 426.583 2.302 30 10 IEEE COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cc1 1730144867 VQSZLYAFSBOTSY-INIZCTEOSA-N 441.513 2.338 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCOCC1 1740541663 DOOHRFBGKIAHLU-MRXNPFEDSA-N 438.561 2.291 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1740545082 NQLWTKAUSHIFRM-WMZOPIPTSA-N 425.562 2.272 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740578699 DOBLHACYVDJYRW-KRWDZBQOSA-N 430.553 2.421 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1740615377 CLGQXAKNXFODQX-SFHVURJKSA-N 435.594 2.180 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1740619449 OTEBMMNHZVXGPR-IBGZPJMESA-N 441.582 2.363 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCc2ccccc21 1740629788 ZWTCBBCKEFCOKY-UHFFFAOYSA-N 439.523 2.451 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740651322 APAAGBBZIWPTQN-UHFFFAOYSA-N 448.552 2.102 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740744456 UDTFRDDGYOYMGN-PMPSAXMXSA-N 427.343 2.465 30 10 IEEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740861491 OSBUBABLYZTPRV-FQEVSTJZSA-N 435.532 2.438 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1csc(CC)n1 1740963123 ACZHMGYUYUZQIW-UHFFFAOYSA-N 428.566 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)CC1 1740988781 PDJVJZCJWVHVNI-UHFFFAOYSA-N 440.573 2.092 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(N(C)C)nc2)CCOC1 1741723309 KJFFRDUOPNCZPS-VXKWHMMOSA-N 443.527 2.270 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2c2cnn(C)c2)n1 1742680021 ZWBVPVRAUQABBI-VQIMIIECSA-N 436.568 2.138 30 10 IEEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1743345933 IJELLTWJEBETCR-WMLDXEAASA-N 447.465 2.168 30 10 IEEE CCN(CC)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1746128181 GRSIHWMPOIZZIW-DQRAZIAOSA-N 441.580 2.068 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748844108 OPFSXCVSYTYEIX-RBUKOAKNSA-N 434.548 2.093 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)CCCO2 1748951403 USGSNVPRQYTWTO-DEOSSOPVSA-N 440.544 2.390 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1748994013 UFTLTJSSZLQUIN-JOCHJYFZSA-N 441.668 2.040 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749434094 HRDTXUOHCXGGIN-SFHVURJKSA-N 444.605 2.394 30 10 IEEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)ccc1Br 1749681864 JZWMTDKGDUNJST-UHFFFAOYSA-N 446.309 2.496 30 10 IEEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749699181 IEHGFHOLMDXKKM-KNQAVFIVSA-N 437.592 2.458 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]2CCC[C@H]21 1749741065 ODPRPJSOVSLLHD-OKYOBFRVSA-N 438.594 2.372 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760129433 MWDCLIAFOPFFEZ-UHFFFAOYSA-N 430.553 2.375 30 10 IEEE C#CCCCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760142553 GKHNCNGSESPQPF-OFNKIYASSA-N 431.581 2.475 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1760145372 NSSICNCALNXVMI-YJBOKZPZSA-N 435.525 2.019 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760151084 XFPPOBNIAZZSQV-FQEVSTJZSA-N 445.571 2.363 30 10 IEEE C#CCN(c1nnc(C)n1CC(C)(C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760181666 ZMFXYSIMLQPCGM-GOSISDBHSA-N 446.573 2.208 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1760182120 GRIBWAYOLYXOOD-IBGZPJMESA-N 430.574 2.397 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760306544 IKIHCGHCPDAKMA-OIISXLGYSA-N 440.386 2.238 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760440463 KLJZQQUZBPBKFI-ZDUSSCGKSA-N 444.483 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1760521425 SGTAHFFIHQTPOZ-IRXDYDNUSA-N 449.559 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CC)C1 1760553890 KZFUTJHGRIKAOU-OAHLLOKOSA-N 435.550 2.233 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccn1 1760556447 DRNYIKMLAYVWCA-UHFFFAOYSA-N 432.575 2.266 30 10 IEEE C[C@@H](CN1CCCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1761433189 DWDCSPJBMNOKJA-ICSRJNTNSA-N 448.637 2.432 30 10 IEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1768012368 BGYJGHZZURYSHE-KNQAVFIVSA-N 437.592 2.456 30 10 IEEE CO[C@]1(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1768239828 OBYJCHXGBDYDIS-BHIFYINESA-N 433.553 2.254 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)F 1768660079 PPMXPPXJIUJGHQ-INIZCTEOSA-N 439.488 2.318 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1769141199 HELQBRLDENWYRL-AUUYWEPGSA-N 436.472 2.122 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)CC#N)c1 1769362805 GLVSYUWMLDWNQN-CRAIPNDOSA-N 432.550 2.214 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)C[C@@H](C)O1 1770960093 DGHNTEKSHMBEFC-VQIMIIECSA-N 429.521 2.394 30 10 IEEE N#CCOc1ccccc1C(=O)N1C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc21 1849948819 ISKPXJWNFKMFJE-QGZVFWFLSA-N 425.466 2.319 30 10 IEEE COc1ccc(-n2nnc(C(=O)NCCN3CCC(C#N)CC3)c2-c2cccnc2)cc1 1850670927 DWVULJOLZGDTFQ-UHFFFAOYSA-N 431.500 2.303 30 10 IEEE CS(=O)(=O)c1ccc(-c2cn3cc(C(=O)N4CCN(CCC#N)CC4)ccc3n2)cc1 1853356624 LBBWMYJAVYBOFM-UHFFFAOYSA-N 437.525 2.076 30 10 IEEE COc1cccc2c1C[C@@H](C(=O)O[C@@H]1CON(S(=O)(=O)c3ccc(C#N)cc3)C1)CC2 1853621485 QBHNTJMVQZLDHJ-ROUUACIJSA-N 442.493 2.220 30 10 IEEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)c4ncc(Cl)cn4)C3=O)CC2)cc1 1855456978 DJQGUJSPMWHVDE-SFHVURJKSA-N 425.876 2.286 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cc(F)cc(F)c1 1856267537 WOHUSDZXPXEGML-CYBMUJFWSA-N 433.436 2.039 30 10 IEEE Cc1ccc(C(=O)N2C[C@@H](CN(C(C)C)[C@@H]3CCS(=O)(=O)C3)CCC2=O)cc1C#N 1856664311 LJIRKEAYXHTSTB-YLJYHZDGSA-N 431.558 2.143 30 10 IEEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1OC 1862631304 AOCGHKXZVMNRFC-FQEVSTJZSA-N 441.436 2.393 30 10 IEEE Cc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] 1870156321 HGQDGYHCGMAAEZ-UHFFFAOYSA-N 446.471 2.360 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 1993665788 LTMAGHVXUFTOJS-HNNXBMFYSA-N 427.542 2.192 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2015901590 RTLQLWDWXYXBJS-QVKFZJNVSA-N 440.541 2.062 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2131473546 WWABPAIOYGSPRN-UHFFFAOYSA-N 446.353 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCC#CCCO 2229107119 GDHJUDBLLAMHTN-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2235727769 ZEGVPCXTSXRZDQ-YLJYHZDGSA-N 439.350 2.387 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247777858 SOTLIKTYYBDBOH-WDEREUQCSA-N 430.257 2.035 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(Cc3ccccc3)C3CNC3)cc2)OC1(C)C 2247881185 TWEXWAJLJNJVTE-UHFFFAOYSA-N 428.363 2.149 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2255696905 AUMGGNBRAFLNKI-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825682 DEKALBKJRGTNMA-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830482 HCJOBQJMULRSEO-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE COC(=O)[C@@H](CC(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256595613 NXEFQBVMVOIUSL-HUUCEWRRSA-N 438.330 2.279 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2256626712 NGEFCKJERJRWRB-GJZGRUSLSA-N 429.326 2.432 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)COC1 2256675916 KGNJVSWRTAHGLR-UHFFFAOYSA-N 436.289 2.357 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267110215 ARVYKLSPMGFWGA-HOTGVXAUSA-N 446.353 2.086 30 10 IEEE Cn1cc(C(=O)NCCCC2(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267125896 IWUREKFCQZPFGQ-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2267138018 RSTCJGAZWOVGNA-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267153079 VKXMKMAKPVGZBL-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CCn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2267185449 VJMWUOBDIZMXII-UHFFFAOYSA-N 448.373 2.379 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2CCC2)C1 2267517276 PZMXGNOGESZCGX-UHFFFAOYSA-N 446.357 2.323 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267540477 XIXJBLXOBFSGHV-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268640647 JABFULQCAUMQQW-MAUKXSAKSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268785859 LUAGLANPJOYAPI-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2312974136 DNVMUDCDBAVSFQ-HEHGZKQESA-N 449.382 2.314 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 2315389254 ZMANYSJXFXWDAM-IAGOWNOFSA-N 433.358 2.471 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2317606108 RPAPJNAUEATEBR-QGZVFWFLSA-N 434.342 2.255 30 10 IEEE Cn1cccc1C=Nn1c(SCCCO)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 2325923107 ZMBLLBNWLTYLLR-GOSISDBHSA-N 438.557 2.489 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccn1C 2330793257 WPUSMZBOEKUERO-HNNXBMFYSA-N 439.545 2.104 30 10 IEEE COc1cc(Br)cc(C=Nn2c(SCC(N)=O)nnc2C(C)C)c1O 2331690101 KNLSZRJMTREBDL-UHFFFAOYSA-N 428.312 2.338 30 10 IEEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1nc(Br)nn1CCOC 2382083628 HZCRKCXVUIIWLR-DLBZAZTESA-N 439.354 2.472 30 10 IEEE Cc1ccc(-n2c(=O)/c(=C\c3c(F)cccc3Cl)s/c2=C(/C#N)C(N)=O)c(C)c1 12566817 ODUIAXWYJLPOAQ-WASNKAGDSA-N 427.888 2.297 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 18422299 ZDKLBQGNRRSUFO-NBGIEHNGSA-N 447.491 2.492 30 10 IEEE Cc1ccc(N/N=C2/C(=O)C(S(=O)(=O)O)=Cc3cc(S(=O)(=O)O)ccc32)c(C)c1 33838208 SOAAGHDAWFEEPP-LVZFUZTISA-N 436.467 2.178 30 10 IEEE Cc1ccccc1-c1noc(=O)n1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 444410911 KMQHDSMVJYBMJG-FQEVSTJZSA-N 435.459 2.360 30 10 IEEE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 461329140 FNARBYWGMMDUOG-IEBWSBKVSA-N 426.542 2.352 30 10 IEEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 462092324 LXFANKXGUOJUAV-SFHVURJKSA-N 430.516 2.471 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 488224242 VEFHJQGBJDJANM-GOSISDBHSA-N 449.529 2.444 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3CC2)c1 501672999 HOTCMNBSIAGYJF-UHFFFAOYSA-N 430.526 2.409 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(F)cccc1Cl 508885115 MLCIPZPRVUNDBH-INIZCTEOSA-N 443.932 2.226 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2ncccc2C#N)CC1 514748796 DPCGWQOMMFNBJQ-UHFFFAOYSA-N 435.532 2.041 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 536220661 MBBTZDBFEAIHMX-UHFFFAOYSA-N 445.497 2.081 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@]2(CCOC2)C1 549271938 WLDWCEYNQFFWEP-NRFANRHFSA-N 446.577 2.118 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1ccccc1 549646444 OFYAEVALWPGSDB-IEBWSBKVSA-N 433.578 2.427 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 554502319 VCQPTVMXKCSZKS-UHFFFAOYSA-N 437.565 2.057 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=C)C)CC1 558964578 PVJRGTKZSUWKPM-UHFFFAOYSA-N 446.559 2.131 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CC1 567325144 XYHABJBKMFGGGA-UHFFFAOYSA-N 446.555 2.409 30 10 IEEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(F)cc2)c1=O 603788575 KVJPRXCGRQNYEG-UHFFFAOYSA-N 433.508 2.472 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c(F)c1 609944221 KOECGXYFXVPKCW-GOSISDBHSA-N 439.447 2.253 30 10 IEEE CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 732494735 LALDGXHIJMYHNW-RBBKRZOGSA-N 444.491 2.372 30 10 IEEE O=C(O)C#CCNC(=O)[C@@H]1OCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 757473500 FPBJKYAUCIUYQF-WAIKUNEKSA-N 448.475 2.134 30 10 IEEE CC(=O)N[C@H](CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1F 760401752 ZUWGMYGABDWNKI-QGZVFWFLSA-N 427.473 2.452 30 10 IEEE C#CCN(C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 765017116 YTIAGGFCFHLWPP-SJLPKXTDSA-N 426.579 2.309 30 10 IEEE CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 771214919 FEOQVMASWUMTNS-OAHLLOKOSA-N 435.322 2.374 30 10 IEEE CC(C)(O)CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N 774283519 HUHNHWMAQKNIMV-MRXNPFEDSA-N 438.513 2.470 30 10 IEEE C[C@H](CC(=O)OCc1ncc(Br)s1)/N=C1/NS(=O)(=O)c2ccccc21 785036953 WOYNFQQFKXVDMI-SECBINFHSA-N 444.332 2.466 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2c2ncnc3sc(C)cc23)n1 790106079 PPGQRWPCIPPDCV-LJQANCHMSA-N 438.557 2.473 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)[C@@H]3Cc4ccccc43)CC2)cc1 795371618 PGNMAXULDVCWNG-OAQYLSRUSA-N 438.505 2.411 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)Nc3ccc(CC#N)cc3)CC(=O)N2C(C)(C)C)cn1 796421671 VBIORTUOQAHBAR-GHTZIAJQSA-N 437.500 2.356 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2CCC(C#N)CC2)C1=O 799461183 CTYCXGKOANUZBE-MQBCKMQZSA-N 427.530 2.183 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2)CCN1C1CC1 802323888 PDYVPKYGGGXKTJ-HXUWFJFHSA-N 442.527 2.345 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 804455458 VTSPKLHFBYZKRQ-KNQAVFIVSA-N 430.508 2.287 30 10 IEEE COc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)ccc1C#N 810083002 VIPGHYPZQVRNAJ-UHFFFAOYSA-N 434.417 2.339 30 10 IEEE C=C(Br)CNC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 810223591 NMJUMWDUTQKKLT-NVTXSZTESA-N 441.325 2.491 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 812182184 DMIPOVROJYYUTE-FUHWJXTLSA-N 426.521 2.371 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856532318 BRVPDEIEXBPUDM-JKSUJKDBSA-N 438.431 2.116 30 10 IEEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3ccc(F)cc3)n2N)cc1 1084119817 SWCBJKVWXNGBQG-UHFFFAOYSA-N 443.508 2.384 30 10 IEEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)n[nH]1 1084427164 SWRPIOPFTDKZRK-UHFFFAOYSA-N 447.613 2.119 30 10 IEEE C=CCN(C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 1125884139 OWTDBSAIDLLITB-RBBKRZOGSA-N 438.549 2.455 30 10 IEEE CN1CCCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 1136303954 NDWXJKZQQXJSMI-BUIMCUSZSA-N 434.562 2.477 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 1153262985 UYCNLNGIIQWVHO-UHFFFAOYSA-N 431.341 2.425 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)C1 1154958372 DVMGDPCWJAWTEF-ROUUACIJSA-N 430.553 2.068 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(NC(=O)C(F)(F)F)nc3)cc2C1=O 1161211671 VOSRBRYMHGFAOA-UHFFFAOYSA-N 432.358 2.294 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OCCN(C)C)cc1 1286270711 MYAWQBNFUOQDCJ-IBGZPJMESA-N 438.576 2.155 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1286306571 WKDYGVCTWZMJNV-RTBURBONSA-N 428.556 2.480 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1286376000 BZHLRGXBXVSBAJ-SFTDATJTSA-N 441.601 2.395 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1286395828 SNKDAGONAMFNNU-IAGOWNOFSA-N 426.608 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCn2ccnc21 1286416430 RWQAFJNCPGPTHN-QGZVFWFLSA-N 433.541 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1286426092 JHXJKFUOIHDFEG-UHFFFAOYSA-N 443.511 2.103 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1286466999 PIQXPDZCDKZJPB-FQEVSTJZSA-N 427.524 2.353 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286711921 RCNQVIUKMLLMBI-UHFFFAOYSA-N 441.580 2.280 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286721849 JRWNVZHRYWZILU-RYQLBKOJSA-N 443.552 2.325 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C)[C@@H]1C 1286782842 AXJLTYNKIIRYQF-GJZGRUSLSA-N 429.546 2.349 30 10 IEEE CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1287103799 WJBUQACEGKJGMQ-UHFFFAOYSA-N 449.559 2.346 30 10 IEEE CC1(C)C[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1289005710 HQYCSFLHOJHQKE-GOSISDBHSA-N 428.562 2.335 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)c1 1294447791 OKYJVSJXHBCFEN-JOCHJYFZSA-N 438.549 2.447 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)C1=O 1297061579 JMWVYVCFFPJVLZ-YDZRNGNQSA-N 435.565 2.426 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C[C@@H](CC#N)c1ccccc1 1299862884 AFBKEHLSORWANJ-QGZVFWFLSA-N 430.486 2.419 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1300482826 HZTCCHYFMXHWLC-HNNXBMFYSA-N 431.543 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1300527760 KOTJVLQZOQBJOH-UHFFFAOYSA-N 440.511 2.275 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1300570532 QXUAMKDJZIVRAE-UHFFFAOYSA-N 434.588 2.443 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1300618823 MQTGVDVUMIEONF-UHFFFAOYSA-N 447.543 2.051 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1300671945 RQYLVNLUORARIV-KRWDZBQOSA-N 429.487 2.142 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)SC)CC1 1300726579 OBYNBPDFSDRPOH-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300743680 XORWPIMKWHSCIJ-SFHVURJKSA-N 429.590 2.477 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OCC)CC1 1301483934 YJYXMTJSXDLWQQ-UHFFFAOYSA-N 432.912 2.179 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)C1 1301554353 FIGFHIJFOICIIB-RBUKOAKNSA-N 425.533 2.286 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C[C@H]1C 1301889829 DOUYZOLDSVLEEP-LJQANCHMSA-N 434.548 2.260 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1302409296 NFKSFCMZFNITMA-DVECYGJZSA-N 449.559 2.036 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 1307908199 ITRHETWYCUFGPB-UHFFFAOYSA-N 429.561 2.006 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc([C@H](C)CC)cc3)CC2)C1 1313281994 KBNFUOKTXCUCCF-CTNGQTDRSA-N 446.617 2.314 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1314548680 NLRZGGGWCHEFHE-QZTJIDSGSA-N 428.562 2.238 30 10 IEEE CNC(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1315048171 QSYKKHUCZDOLFM-LJQANCHMSA-N 430.516 2.202 30 10 IEEE Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cccc1N1C(=O)N[C@H](C)C1=O 1324208157 LBWAGXMTSWQLDY-ZBFHGGJFSA-N 431.452 2.303 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC1CC1 1358876713 PDOWJXIUNYYUGL-LBPRGKRZSA-N 440.367 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C)C(C)(C)C1 1358881586 JEYDVVWEQDDLPI-GOSISDBHSA-N 440.592 2.446 30 10 IEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1358905553 DFHFJHLIPXNINL-KRWDZBQOSA-N 441.561 2.079 30 10 IEEE C#CCCCn1c(N2CCC(Nc3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1358935785 SRRWXDRLMVWHOI-JOCHJYFZSA-N 425.537 2.215 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC=CCO1 1359015495 VVQOMMJGPFBDJT-APWZRJJASA-N 447.536 2.012 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc(C(C)C)cs2)CC1 1359030541 YCCITZACNTYICG-QGZVFWFLSA-N 432.594 2.386 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1359057972 OMFUVVZZNJOADX-PXNSSMCTSA-N 441.557 2.262 30 10 IEEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCS(=O)(=O)C1 1359115664 IQIWINLCNORBPS-JOCHJYFZSA-N 443.573 2.233 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1359298354 WVNFPLDWUUYKEE-UHFFFAOYSA-N 438.507 2.289 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359303166 GIZYWMKOQVSPSP-AWEZNQCLSA-N 442.511 2.305 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2C)C1 1359313398 LKHQHAFGJDKGHZ-HKUYNNGSSA-N 433.578 2.221 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1359337350 PMPZXZGEDYFVDK-AWEZNQCLSA-N 437.591 2.076 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359340795 AAEHGYNRENFIOG-KRWDZBQOSA-N 426.550 2.065 30 10 IEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 1360726346 BLRNRXAPWOPHHP-QFIPXVFZSA-N 436.541 2.488 30 10 IEEE O=C(CCN1CCOCC1)Nc1cc(NC(=O)c2cccc(C#CCO)c2)ccc1F 1441433371 KOMGCIIDYSZNRP-UHFFFAOYSA-N 425.460 2.083 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(CC(=O)N(CC)CC)CC3)n[nH]2)c1C 1449147967 CHEPLDLDOGMNFU-UHFFFAOYSA-N 441.580 2.139 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(c3ccsc3C#N)CC2)cc1F 1453387742 FJAFMDXSRDHEFC-UHFFFAOYSA-N 435.502 2.084 30 10 IEEE C[C@H](CN(C)C)[C@@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1454133895 XMMKLFNLWFALDM-AHRSYUTCSA-N 425.533 2.342 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1463736193 UNABBRDKACOSBG-GJJHYRHESA-N 442.603 2.365 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 1465089204 XAALYAQVXSODQS-YJBOKZPZSA-N 449.504 2.449 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3cc(S(C)(=O)=O)ccc3F)ccc2c1=O 1467447969 FSCWPBKIIMGTGL-UHFFFAOYSA-N 447.513 2.344 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1469727826 CDHNOPZOSYCKAP-QXSJWSMHSA-N 437.541 2.300 30 10 IEEE N#Cc1ccc2c(c1)N(CC(=O)NCCN1C(=O)S/C(=C/c3cccnc3)C1=O)CC2 1473350191 YHGZUACDPJHTBV-YBFXNURJSA-N 433.493 2.168 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1478734356 BJGRMQQYDVRRMG-UXHICEINSA-N 436.597 2.435 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C1)C2 1479157552 DDMDULFOWKIMCK-LZLYRXPVSA-N 427.448 2.177 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1501756621 VPGWQVTUAPRZOY-OAQYLSRUSA-N 445.499 2.096 30 10 IEEE CN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1503423362 LFTUOCWMQOPKRE-ZDUSSCGKSA-N 447.467 2.283 30 10 IEEE Cn1ncc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)n1 1503691216 FWDUDTKABAFJJO-LJQANCHMSA-N 425.428 2.057 30 10 IEEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCCC1 1504044436 FXAXDIGGDJJUJD-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1507678453 HYNQBZNMLPCJHS-OFNKIYASSA-N 433.597 2.279 30 10 IEEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507927592 ZEKGLVOJZDMFQT-UHFFFAOYSA-N 449.563 2.199 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1508012661 HTNPKGNJGSRYDA-UXHICEINSA-N 446.596 2.369 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(C)=O)CC1 1508103500 GSVJQZOSJXDLOZ-LJQANCHMSA-N 425.533 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1508133923 OZUZWLNURCMQTJ-JOCHJYFZSA-N 441.557 2.424 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1508348071 MMZCAIAZGKFRQF-OAQYLSRUSA-N 433.560 2.431 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCN(C(C)C)CC2)cs1 1511528421 FOEUATKQQIQTNP-HXUWFJFHSA-N 447.584 2.311 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1514263309 GUZOCSIKJNBNGM-GHTZIAJQSA-N 431.562 2.239 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1 1515759799 SLOZWRJDXZVHMT-UHFFFAOYSA-N 431.493 2.392 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)C1 1517662672 PNVYLIZOWFYDQP-WOJBJXKFSA-N 439.516 2.402 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCO[C@H]1C 1519149579 AOKDEXNMCLYJSB-XTQVGHSUSA-N 441.532 2.194 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1519290149 BYQJSHSJZUFPDT-RXVVDRJESA-N 434.585 2.243 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCOC(F)(F)F)c1 1521083132 SJGCCAQPWBSGTJ-KRWDZBQOSA-N 436.438 2.264 30 10 IEEE COc1cc(C#N)ccc1NC(=O)c1ccc(I)cc1-n1cnnn1 1528167629 IQKMOTGEBZWHJA-UHFFFAOYSA-N 446.208 2.399 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 1532528739 FXNICQNBUJJKPL-UHFFFAOYSA-N 443.197 2.118 30 10 IEEE C[C@@H](Sc1nc(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cs1)C(N)=O 1532791822 UOLZTDZAGSPBIM-GFCCVEGCSA-N 426.527 2.407 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cnnn1C 1539028956 FESOLSBFNHPPCM-CYBMUJFWSA-N 430.310 2.254 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(N(C)C)CCC2)c1 1539042018 BMISTFGQVIHLIY-IBGZPJMESA-N 436.560 2.323 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539324094 PMYLRSBKYOJZFM-WOJBJXKFSA-N 448.575 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@@H](C)C1 1540900202 NWKXLOMJMFBXIA-AWEZNQCLSA-N 436.559 2.216 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1540907939 NDCYPIRQDSDDCT-OAHLLOKOSA-N 439.549 2.315 30 10 IEEE Cc1nc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)sc1C 1542049737 WBTOADOTDIKTTJ-UWJYYQICSA-N 446.577 2.364 30 10 IEEE CC(C)Oc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1C#N 1545908224 BHLVWCLKLYNPRJ-GOSISDBHSA-N 426.448 2.026 30 10 IEEE CSC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1565347101 HFJSZWBFCKDZOS-UHFFFAOYSA-N 436.603 2.496 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2nc(CN3CCCCC3)no2)cc1 1568975628 DDXWOWLMBGSBSI-UHFFFAOYSA-N 431.518 2.063 30 10 IEEE CON(C)C(=O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1569608845 LJWWCROTGATJMP-UHFFFAOYSA-N 435.322 2.015 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CCC2)cc1 1570690200 OTROUELWVXIJBB-QFIPXVFZSA-N 426.538 2.402 30 10 IEEE C#C[C@H](NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)c1ccc(Br)cc1 1583566518 WKQDLVXDNUEKGC-KRWDZBQOSA-N 440.297 2.436 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1587861639 OYPRHTJJASVVOL-NHCUHLMSSA-N 442.585 2.432 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588044666 AKEUTGXFUPQOCD-IBGZPJMESA-N 443.573 2.316 30 10 IEEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)C1 1588165992 CXCNNAAIQTZKBP-LBPRGKRZSA-N 446.310 2.027 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCNC(=O)c1cccs1 1589150820 LVMYROVAWOZHGN-HRAATJIYSA-N 431.562 2.486 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1594454172 CPXYIRPEOHPZJI-INIZCTEOSA-N 425.599 2.498 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(C)c2)CC1 1594824610 MWZLHCJLZNYCON-UHFFFAOYSA-N 427.553 2.111 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595570004 UHYQZVXUIIXQSA-YADARESESA-N 439.560 2.140 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1595723606 YRHOGADRFJEEMT-MOPGFXCFSA-N 426.521 2.355 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2CC)C1 1595743464 BCAIROXEYCOOGL-KRWDZBQOSA-N 441.580 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C)C1 1595822655 IMQYGHIOIBNPBO-SFHVURJKSA-N 434.562 2.300 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1596814097 SCLNAGMGVBJUMG-OAHLLOKOSA-N 427.509 2.004 30 10 IEEE CC(C)OCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1611095346 GCZJICZSDUEVNU-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1611303680 RIEUHXBGBWAEMT-HNNXBMFYSA-N 429.550 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN3CCN(c4ccc(C#N)cn4)CC3)C2)C1 1615233581 KDNRGLTVJYWXNB-WMZHIEFXSA-N 427.549 2.491 30 10 IEEE CCn1cccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1615732422 NVIWDRHGZYSKTI-JTSKRJEESA-N 428.537 2.144 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccon2)CC1 1615837757 HPIRKLZSGHVFOV-GOSISDBHSA-N 434.548 2.467 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(OC)C1 1617370456 WIBUQAFQTYHLGH-NRFANRHFSA-N 446.577 2.151 30 10 IEEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)C[C@H]21 1620115565 NEUXLPQVVJWLCC-GVDBMIGSSA-N 448.449 2.214 30 10 IEEE CCOc1ccc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)nn1 1620444060 SPLVJWFDRJVFGU-UHFFFAOYSA-N 447.461 2.184 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Cc3ccccc3)C2)CC1 1620658927 BWSQVEMVHBDJSQ-YFNKSVMNSA-N 436.531 2.070 30 10 IEEE N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2I)nc2n1CCOC2 1627628144 MZURIMXUPSVEQJ-UHFFFAOYSA-N 439.169 2.050 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1627790232 LXAZUJKXCFVIFI-MSOLQXFVSA-N 437.456 2.401 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3(C#N)CCCC3)c2)CC1 1628342745 YRIRXCTUCXCIHK-UHFFFAOYSA-N 438.981 2.480 30 10 IEEE CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCCOC1 1633781851 DXJZQXKKVKXFIW-MJGOQNOKSA-N 431.338 2.382 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)[C@H](C#N)C1 1638203221 KSSXFPPOSAMBSP-RHSMWYFYSA-N 427.505 2.322 30 10 IEEE C[C@H]1COCCN1C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1641758661 SFWBLCOCVVICCC-HNNXBMFYSA-N 447.377 2.469 30 10 IEEE Cc1ccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1642913734 VTKFPWICENBUPV-UHFFFAOYSA-N 427.398 2.146 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cccc(C(=O)C(F)(F)F)c2)c1=O 1644133890 QTMZAGNRCSIJOL-UHFFFAOYSA-N 437.374 2.017 30 10 IEEE CCOC(=O)c1nnn(C2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1C(F)F 1647985392 AVUYSXJQRHEYTQ-XCLFUZPHSA-N 440.495 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3nnc(S)n3C3CC3)C2)C1 1650799340 APIHKEKABVSKAB-GJGORFQUSA-N 446.577 2.347 30 10 IEEE CC(C)N1CCC(NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1654990189 AMRJPNFFVLJJPM-UHFFFAOYSA-N 435.576 2.059 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3cccc(C#N)c3)C(F)(F)F)CC2)o1 1655409926 ROJSPSDTHLTTNS-GOSISDBHSA-N 432.406 2.268 30 10 IEEE COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCC3(C#N)CCC3)cc2)C1 1665430719 AYDUYIZCVBACNO-HNNXBMFYSA-N 434.518 2.076 30 10 IEEE CC(=O)NCCc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)s1 1670758823 BRFYYMRUKZVDKM-UHFFFAOYSA-N 432.571 2.246 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 1678035314 ITNVAERFAWGVCW-KRWDZBQOSA-N 446.495 2.197 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](O)c3cc(F)c(F)c(F)c3)C2=O)cc1 1682226620 NJPMDXHCAZUPSJ-QZTJIDSGSA-N 432.402 2.109 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C2)nc1 1686257477 QUCVOOHMYIPSSD-PMACEKPBSA-N 448.527 2.219 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C(C)(C)C1 1687728326 SDAQMEKADUJJGR-GOSISDBHSA-N 428.537 2.430 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC(C)CC1 1690039473 HHPSOSMRYWRDBH-UHFFFAOYSA-N 443.559 2.116 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690124702 RKEJKGKWZIGOQZ-LJQANCHMSA-N 440.567 2.105 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690144324 URFIRVSATDIJFX-UHFFFAOYSA-N 444.580 2.378 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 1690661008 SLRSFPNFPKPUKL-QZTJIDSGSA-N 440.548 2.039 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)S1 1693830013 CISJWICDCCPPEP-BFYDXBDKSA-N 426.546 2.338 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@](C)(O)c2ccc(F)cc2)CCOC1 1696053156 GMOBPMDBAYCFEL-YPAWHYETSA-N 447.486 2.419 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)C1 1696949100 VEQLKCCJMXOLGK-KRWDZBQOSA-N 434.500 2.375 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)CC1 1698489850 AKDUHIVCTAUODL-HNNXBMFYSA-N 449.437 2.354 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc32)CC1 1705762914 LGGMSVBWKVFLOV-ROUUACIJSA-N 444.605 2.496 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1707807544 DKEOAPRNRNTQPR-JOCHJYFZSA-N 428.585 2.223 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2Cc2ccc(C#N)o2)cc1 1708916300 QRMYBKPYHOHPOS-UHFFFAOYSA-N 434.500 2.315 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 1722368240 PXKVVRSBXJPERG-HNNXBMFYSA-N 433.603 2.045 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371156 HGNBFZWSHDKJPZ-SFTDATJTSA-N 447.649 2.368 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccco2)CC1 1722433988 HSMLDVPYLGBBFL-NRFANRHFSA-N 426.908 2.249 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722518843 QCGMKGUYFNSORH-CQSZACIVSA-N 434.342 2.178 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@H]1C 1722621687 BWVTXEXOIXAGEI-CYBMUJFWSA-N 437.342 2.295 30 10 IEEE C=CCN(c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1722651842 ZRRLWVNFVKHQII-HNNXBMFYSA-N 437.591 2.285 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCC(=O)NC1CC1 1726402507 FRFYWGSQMKFECR-UHFFFAOYSA-N 427.940 2.497 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@H]1CCOC1 1740551773 LVZRIWRNOPYTFE-ICSRJNTNSA-N 439.564 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccn(-c2ccc(F)cc2)n1 1740629722 XMDYJXCNTMJSPG-UHFFFAOYSA-N 433.491 2.057 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740775311 VCZCHHGERVFPEG-UHFFFAOYSA-N 436.553 2.350 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740959871 GILSMYSLCJSMBG-KRWDZBQOSA-N 426.569 2.064 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1741134453 BARGYVLBOQXILC-ZDUSSCGKSA-N 445.325 2.392 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS2)C[C@H]1O 1748334154 XSYOMYBCWXWZOV-FGTMMUONSA-N 427.530 2.073 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN(C)CCCOC 1748647485 NXAXAVNVNLPRKP-OAHLLOKOSA-N 437.386 2.472 30 10 IEEE COc1ccc(CCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)cc1 1748723235 INZKFFFWDZUFJH-INIZCTEOSA-N 434.500 2.252 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748812399 VCBDPYNQFWXJKA-QGZVFWFLSA-N 442.570 2.088 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748819763 TVFNWFVZMYZNBJ-LJQANCHMSA-N 428.558 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CC=CCC1 1748948554 RCBWASAIPFSXHN-UHFFFAOYSA-N 436.560 2.495 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1748957001 REXKXISFXYLYFL-LJQANCHMSA-N 425.533 2.298 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1 1749040280 SINCNQYTSSMWFY-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749087344 SOLBJYAQTOSYDI-HOCLYGCPSA-N 444.374 2.215 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CC2)CC1 1749210710 NDYKDKOJXIRPLB-UHFFFAOYSA-N 425.537 2.050 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1)c1ccccc1 1749242371 HFEGFJHEEPTCAO-HNNXBMFYSA-N 428.518 2.152 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749280287 GGMFQHKWWXMLLT-QGZVFWFLSA-N 444.923 2.391 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749416223 WSSONNANZWVOAX-INIZCTEOSA-N 445.593 2.180 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1749425134 WKQDBAIHFMOEJC-QHCPKHFHSA-N 435.532 2.121 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749425211 YRHXLFLDOSMSHG-NQIIRXRSSA-N 438.580 2.080 30 10 IEEE C=CCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749439658 FZGVEYRLAKWMJZ-OFNKIYASSA-N 433.597 2.443 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749760962 SMVRYGHGGYLKDG-HXUWFJFHSA-N 445.637 2.217 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)c(OC)c1 1749821534 CFLVESBXAAVXLE-UHFFFAOYSA-N 426.521 2.246 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1COc2ccccc2O1 1749832588 NPHPPEJYJPSPMG-LJQANCHMSA-N 434.500 2.470 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)c(F)c2)n1 1751853197 BKKCNAGCTLTREB-SFHVURJKSA-N 438.511 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1760219336 BIQLREYUJQHQSY-RTBURBONSA-N 438.553 2.209 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1760232704 CGMNCSMQDRIZTA-AWEZNQCLSA-N 446.964 2.228 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760285760 QECMVZMDSGYXPY-MRXNPFEDSA-N 431.493 2.003 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760505333 RMUXJVJOVFORSS-SFHVURJKSA-N 436.553 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nccs2)C1 1760551605 LTQPGFUHKQLESB-INIZCTEOSA-N 449.558 2.482 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760728058 GCLLYJKUBSUASI-FTRWYGJKSA-N 438.573 2.222 30 10 IEEE CC(C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760945002 IKJBTRFBAWTKCA-YGCDDZCOSA-N 436.520 2.134 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)O1 1764327484 ONTYOMKMLRCKOU-WMZHIEFXSA-N 438.532 2.355 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1767435273 OWZAMJWUIGIQFG-OAQYLSRUSA-N 440.548 2.066 30 10 IEEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2CCCn2cnnn2)cc1 1768575600 GFCXGQRYDBIOFD-UHFFFAOYSA-N 435.536 2.279 30 10 IEEE COCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771047344 FEBWZRLTVOKQOP-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)C[C@@H]1O 1771487861 GXGCLWSXTXJJDG-QIJUGHKUSA-N 438.576 2.261 30 10 IEEE C#CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1851097245 BVHOITVJZHAMMS-OAHLLOKOSA-N 429.995 2.112 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1852112638 MADYLKYNHJGYDR-REWPJTCUSA-N 449.507 2.234 30 10 IEEE N#Cc1ccccc1OCC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 1852189955 DZOLWEQISRCYDF-UHFFFAOYSA-N 429.274 2.079 30 10 IEEE COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)Cc3cc4c(cc3C#N)OCO4)ccc21 1852382536 PMYPEHIEUVRHNV-UHFFFAOYSA-N 435.436 2.265 30 10 IEEE Cc1ccc(-n2c(C)nn([C@H](C)C(=O)N3CCC(N4CCC(C#N)CC4)CC3)c2=O)cc1 1852799302 CELQNHAPFULSAF-GOSISDBHSA-N 436.560 2.438 30 10 IEEE COc1cccc(-c2n[nH]cc2C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1 1852890876 AJBGDGRNVAODEV-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1=O 1853926713 GCKRKLOKWPKFQJ-UHFFFAOYSA-N 433.873 2.405 30 10 IEEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)C3CCCCC3)C3(CCCC3)C2=O)ccn1 1856773068 RCBJSRJUUBZVRF-UHFFFAOYSA-N 430.530 2.213 30 10 IEEE N#Cc1ccnc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4CCCS4)C3)CC2)c1 1856954148 LOMXQOURZBMLMV-MOPGFXCFSA-N 428.558 2.315 30 10 IEEE C[C@H]1CC(=O)N(C(=O)[C@H]2COc3ccccc32)c2ccccc2N1S(=O)(=O)CC#N 1857461148 MKCWZPCWNYGQPF-HOCLYGCPSA-N 425.466 2.174 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 1858641372 ZUBBSSFOXRZQKP-UHFFFAOYSA-N 437.905 2.209 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 1862735379 JJFVCWRWSRQDFY-SFHVURJKSA-N 427.388 2.448 30 10 IEEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CSc2nnnn2C)cc1=O 1870245082 XFRZSHOBWDSXID-UHFFFAOYSA-N 429.502 2.317 30 10 IEEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN(CCO)CCO)cc1=O 1870387245 VVBWDBWVOLSMFW-QHCPKHFHSA-N 441.572 2.037 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CCC)CCC)cc1=O 1870560460 XRHYRRDTUMIMFH-UHFFFAOYSA-N 431.558 2.178 30 10 IEEE CN(C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 1879106171 DAEMUMFEGIMYMD-UHFFFAOYSA-N 446.353 2.367 30 10 IEEE Cn1nnc(Br)c1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1964805348 BZHVPWNHIWSWNW-NSHDSACASA-N 429.319 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2010123315 AWTZLKMDIMPDTP-OAGGEKHMSA-N 440.541 2.060 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2010126184 XONYADGWACKJJQ-QVKFZJNVSA-N 440.541 2.062 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)ccc1F 2174785732 BYEJAHKDPSMUCB-OALUTQOASA-N 433.461 2.060 30 10 IEEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418980 OWQIVUXPXZXWBS-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2244995334 LXYUYDDRJFPVNX-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2247819940 LBOZXBIXSBOBET-HZPDHXFCSA-N 425.379 2.384 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2247832459 POMNNKUSZNPVDJ-LBPRGKRZSA-N 439.343 2.113 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247859492 MXISCBDGNVLKIB-KBPBESRZSA-N 438.355 2.069 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404844 NJRGKAKHNGGDIV-GFCCVEGCSA-N 440.375 2.233 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2COC[C@@H]21 2255362665 HRPOZFHLLHCNDZ-CVEARBPZSA-N 431.342 2.205 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626400 GBFUTEXEUGYLNU-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255827161 VTWNKYSXHZXVCN-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256614529 ODSIXQPRUWLNSS-KRWDZBQOSA-N 434.342 2.427 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256615602 VONPGUXBASBLEJ-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267145708 IMMTZMGBZWFRJQ-JOCHJYFZSA-N 448.373 2.476 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C 2267266159 NHRRKZOYHDVNLJ-LESCRADOSA-N 445.369 2.310 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267883775 ITAZEZVFAVSDER-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268668858 APEYQHYDRBDQAO-GOSISDBHSA-N 446.353 2.415 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](O)[C@@H](N)C#Cc1cccc(Br)c1 2278726794 BXUFBMNREKLIIA-BBWFWOEESA-N 425.323 2.125 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(O)[C@@H](N)C#Cc1ccc(Br)cc1 2278790988 PVPGNPFZRRWROS-FRQCXROJSA-N 425.323 2.173 30 10 IEEE CCn1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039133 QNUIQRIQBYLALH-LJQANCHMSA-N 449.364 2.052 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2306220971 BOUDDGDNYUNQLN-YCRPNKLZSA-N 443.541 2.184 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2315683418 HRCRZADYHFNMNI-STQMWFEESA-N 449.382 2.428 30 10 IEEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=Nn1c(S)nnc(C(C)(C)C)c1=O 2321660871 ONEHTQKWONSWMG-UHFFFAOYSA-N 445.501 2.392 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1 20805914 PIZHVJNDZXGXBS-SSDVNMTOSA-N 439.501 2.264 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)c2C)nn1 23571673 GAVNXIURZPKSMH-HNNXBMFYSA-N 426.477 2.257 30 10 IEEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 59309908 HKIQSGKQZUNRMY-QGMBQPNBSA-N 429.466 2.240 30 10 IEEE CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cc([N+](=O)[O-])ccc2F)[C@H](C#N)C(=O)N3)CC1 72445446 FPIVTMJDDARDBJ-DZGCQCFKSA-N 426.408 2.277 30 10 IEEE CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 410119017 CDLODZRYKSXTKL-INIZCTEOSA-N 430.496 2.368 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCC3CCC(C#N)CC3)CC2)cc1 441000288 DMIYZJRUJQNMEI-UHFFFAOYSA-N 434.562 2.431 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)NCc4ccc(OC)cc4)no3)cc2C1=O 445414115 VZMJITOXFGKIFN-UHFFFAOYSA-N 432.436 2.386 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)c1n[nH]c2ccc(I)cc12 463658202 PAGZNYIPYHLDBV-UHFFFAOYSA-N 425.274 2.475 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC(=O)N2C(C)(C)C)cn1 484048480 GOCQLOKYLJJNTP-PKOBYXMFSA-N 432.488 2.199 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@H](COc4ccccc4)C3)C2=O)cc1 487175208 RUJYVYCHPRHTLT-VXKWHMMOSA-N 434.496 2.149 30 10 IEEE Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488948743 URHYLAAMAUMTII-UHFFFAOYSA-N 430.505 2.259 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1Cl 505003656 WOEDQWJBQMMYQT-UHFFFAOYSA-N 440.953 2.461 30 10 IEEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(c2ccccc2)C1=O 505522463 USUZGFLQFLMOBT-UXHICEINSA-N 445.479 2.027 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)CC2)n1 545478812 CEXAPZPUUWMUMO-OAQYLSRUSA-N 432.528 2.019 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 549255839 DWUVDSLNQHOUFP-NRFANRHFSA-N 441.561 2.331 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 555247266 AQXDGWQXXIWLRI-HKUYNNGSSA-N 449.552 2.320 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(C)c1 558963169 OECIGTRFAKEJCI-LJQANCHMSA-N 449.577 2.011 30 10 IEEE N#Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1Cl 732669418 WATNCOPBWTUNGC-UHFFFAOYSA-N 445.872 2.052 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2N)cc1 750415458 IOLKTMJSKYEOFU-UHFFFAOYSA-N 445.497 2.175 30 10 IEEE Cc1noc(C)c1CCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 753666805 QPNUVPUEHOHEBA-GOSISDBHSA-N 432.546 2.494 30 10 IEEE N#Cc1c(N2CCN(Cc3ccc(Br)cc3)CC2)cccc1S(N)(=O)=O 755025866 GQWPJSVZXHYOCA-UHFFFAOYSA-N 435.347 2.290 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 764038299 SACJQBXQVISDMM-HNNXBMFYSA-N 432.502 2.194 30 10 IEEE CCCN(C(=O)c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 771217080 RBYWCXVNCNAQCZ-SFHVURJKSA-N 425.533 2.084 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 777757325 XIYVHNVBUNZPOX-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 780978492 QVKYJLMDPJWRBN-IBGZPJMESA-N 425.551 2.295 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1cc(Br)ncc1N 782359285 LDNONUSNDQWKOA-UHFFFAOYSA-N 441.245 2.279 30 10 IEEE N#CC1(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 786734406 KLZNHGVBIWVKMI-UHFFFAOYSA-N 442.335 2.036 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)ccc2F)n1 788693950 JGOMTKALQKGBEX-UHFFFAOYSA-N 430.299 2.255 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCn2c(S)nnc2-c2ccc(C)cc2)n1 790108103 UBHFMDDAUBBOEM-UHFFFAOYSA-N 438.557 2.437 30 10 IEEE Cc1nsc(N2CCN(C(=O)/C=C/c3cc4cnn(C(C)C)c4[nH]c3=O)CC2)c1C#N 793446073 YQJDEWFEKZEYFA-SNAWJCMRSA-N 437.529 2.304 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2nccnc2C)CC1 800775781 SKWOQIJKUROAMC-UHFFFAOYSA-N 448.531 2.316 30 10 IEEE CCOc1cccnc1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809124044 RIKNQIWNPMWXQS-UHFFFAOYSA-N 428.239 2.372 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812309764 DQYULEJHFWOWIL-ZWKOTPCHSA-N 440.525 2.497 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 916777582 LTXMSVPKBQNLLK-FQEVSTJZSA-N 425.510 2.365 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4nnc5n4CCC5)CC3)ccc2c1=O 918123178 QFZODQSPWAUNTD-UHFFFAOYSA-N 436.541 2.429 30 10 IEEE COc1ccc(Br)cc1C=NNc1nc(SCCN2CCOCC2)n[nH]1 1084038361 YZVQMZWPCLFDIA-UHFFFAOYSA-N 441.355 2.446 30 10 IEEE Cc1ccccc1NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1N 1084040835 SBAMHHIVEFXDSN-UHFFFAOYSA-N 442.461 2.091 30 10 IEEE CCc1nnc(CN(C(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)C(C)C)o1 1084058558 NCTGXHMMJNRQTR-UHFFFAOYSA-N 444.521 2.431 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2)n1N 1084119058 GMHIAYMSSGTKTD-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1138981012 SLARKLKZJGPKLS-MRXNPFEDSA-N 440.363 2.183 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC)c1 1141542732 WTKCCLPLCOPUKK-KRWDZBQOSA-N 425.551 2.461 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1159749701 CBTWAAQXTJJKAZ-IRXDYDNUSA-N 435.546 2.088 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1165490127 UKMGPGBAGMIHSW-PZJWPPBQSA-N 427.526 2.151 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)NCc1c(Br)cncc1Br 1190510171 GTDJMVIQEARJPN-QMMMGPOBSA-N 426.134 2.175 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN(c3ccc(C#N)cc3F)CC2)CC1 1190743673 PYQMDMRQQMVMSZ-FVRICEFQSA-N 433.524 2.055 30 10 IEEE C#C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C1CCOCC1 1192799570 ZOKYTRCNJUDYTF-CMJOXMDJSA-N 435.365 2.169 30 10 IEEE CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c1C#N 1264259138 FNQGPSZHWCDGFX-AEFFLSMTSA-N 427.530 2.284 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)N(C)C)CCCC1 1286304122 URCBIPMYVGUARF-MRXNPFEDSA-N 442.589 2.376 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1286367061 IIRFSJKXLGEQBY-UHFFFAOYSA-N 434.500 2.353 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286409087 OLHSPRGQAUMXDP-LJQANCHMSA-N 430.487 2.205 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)CC 1286420579 RMIKKMKUSLHRKQ-KRWDZBQOSA-N 432.521 2.455 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCO[C@@H]1C 1286457447 PGMGLBQUOFDEES-JKSBSHDWSA-N 432.496 2.183 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2COCCO2)CC1 1286472189 RCEQYNRXWXSKSW-SFTDATJTSA-N 439.560 2.206 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(OC)CCOC2)CC1 1286473685 QQXLJJSQMZIGOK-QFIPXVFZSA-N 447.486 2.107 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1286484767 OGAPHLMLWOFHIU-UHFFFAOYSA-N 434.544 2.301 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1286762089 ADPIGBXEEHCGMA-CVDCTZTESA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@@]1(OCC)CCOC1 1286792609 CZQIBJMENPPBIW-GOSISDBHSA-N 430.336 2.132 30 10 IEEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC(O)CC2)c1 1290062645 CKIOEVHBNUCSQK-QHCPKHFHSA-N 442.539 2.454 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291806401 UNJLSPZBUHZNIW-AWEZNQCLSA-N 434.504 2.113 30 10 IEEE C[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CN(C)C(=O)OC(C)(C)C 1293609228 JYOITMYZPBXURY-ZDUSSCGKSA-N 427.498 2.356 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc([S@](C)=O)cc2)s1 1294127381 NEVOLEVYDRLSGU-SANMLTNESA-N 426.585 2.151 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1300267554 HERGWUSFOWIOCF-FQEVSTJZSA-N 442.608 2.255 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1300419421 LHBCIXNHSQXDDZ-RBUKOAKNSA-N 428.581 2.335 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300483364 KXZPVQFCLSOBLW-QGZVFWFLSA-N 432.546 2.168 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCOCC1 1300654489 YKUSAARNQIUKGP-QGZVFWFLSA-N 432.496 2.185 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301054578 SGUHZLATAPROKP-HXUWFJFHSA-N 446.490 2.395 30 10 IEEE C=CCCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1301234229 GGZWXWCWUJMKLV-MZKRTTBSSA-N 433.597 2.443 30 10 IEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1301302599 FWPMQCZADFKBFL-SFHVURJKSA-N 431.610 2.199 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COCCO1 1301348941 DASUNFKVRHXFNI-SFHVURJKSA-N 429.496 2.261 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 1301481459 MCDIBOYGQZVIRQ-KRWDZBQOSA-N 442.539 2.391 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C)o1 1301510140 UGUAZSPQIOTILU-UHFFFAOYSA-N 428.518 2.110 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301586898 PLODMXNZPIZWKB-RLAPIPATSA-N 444.601 2.261 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCO[C@@H]1C 1301773634 GHONFBPHXZDFLM-UZUQRXQVSA-N 436.516 2.338 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1302978932 MAASXPLBKXCKPU-OPAMFIHVSA-N 437.454 2.265 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(-c2ccc(F)cc2)c1C 1307994536 PRHWWHZSZVKTTL-ZRZAMGCNSA-N 437.475 2.028 30 10 IEEE CN(C)S(=O)(=O)N[C@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)C1CCCC1 1312944722 WAFFQYGFSQLEHP-LJQANCHMSA-N 435.594 2.133 30 10 IEEE CN(c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1314699372 WJPRQDNQCNJJKV-FMQUCBEESA-N 426.452 2.121 30 10 IEEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(C#N)c(OC)c2)c1 1330055837 SHDCPLRCHDXNIG-UHFFFAOYSA-N 438.303 2.167 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCCN(C)C)c1 1358869968 BQPSUNDPCUGCKU-GOSISDBHSA-N 447.543 2.372 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1359009228 KVTUIJQYXOHATB-DLBZAZTESA-N 430.553 2.131 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OCC(F)F)CC1 1359034732 BJAHMTDHAOYGRS-SFHVURJKSA-N 446.502 2.362 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCC[C@H]2C)CC1 1359046487 TWZZOVLTVIGAIX-GOSISDBHSA-N 440.617 2.381 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359296893 YAWKVFYKYOLICG-ZWKOTPCHSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1359302445 HQMCIAAHZWVLOH-AWEZNQCLSA-N 434.476 2.456 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1360474872 XHRBUCQNVNCEJX-JLTOFOAXSA-N 431.566 2.181 30 10 IEEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n[nH]1 1460952606 BJZMRONISDAPBX-QAPCUYQASA-N 437.504 2.045 30 10 IEEE CN1CCC[C@](O)(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 1464340152 JURMGSCMELRPJC-HFBCPUAESA-N 436.578 2.065 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1464925077 LVMFTRTVUBYVNL-DXQAYGFFSA-N 432.521 2.056 30 10 IEEE C#CCN(C(=O)CCCn1c(O)nnc1O)[C@@H]1CCOc2ccc(Br)cc21 1465179895 PZABOGSPANKEGG-CQSZACIVSA-N 435.278 2.218 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCCN1CCOCC1 1503476048 CWJQORPNEATNOM-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE CSCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1505260997 ICVVRYJWBHZXES-HXUWFJFHSA-N 427.509 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1507513509 AEXFVMFRXSUEPN-YESZJQIVSA-N 431.562 2.303 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1cc(C)oc1C 1507618362 MEBYWZKIXKMNOZ-OAQYLSRUSA-N 427.530 2.457 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507623486 SXJOCIWMUPLPHR-LJQANCHMSA-N 432.594 2.382 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1507677226 WGVYIURIRPUYMS-HXUWFJFHSA-N 440.569 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1507739010 KOPWGKRMUSVAFH-PWHSHALESA-N 429.565 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN(C)C(C)C)CC1 1507742526 KYKCDDWKCNNJTL-UHFFFAOYSA-N 436.604 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1507773659 VABUNBRBZQSTDD-WIYYLYMNSA-N 449.621 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1508078259 XNUBTXTWFACUFW-INIZCTEOSA-N 444.536 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C=C)CC1 1508140016 KLYNMXSEEXSFIE-UHFFFAOYSA-N 433.534 2.009 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1508163421 WFDHHCMYGAMRAU-GOSISDBHSA-N 430.553 2.483 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1508433847 QHBSDLWVULMFBC-ZJPYXAASSA-N 448.568 2.450 30 10 IEEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508702496 SYPMCHVEMPLPSQ-AUMHUTNHSA-N 444.561 2.212 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCCOC1 1515186888 NVBRQUGSBSMMIZ-YESZJQIVSA-N 425.526 2.438 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCOC)ncn1 1517612620 ASOIABTURRTPIJ-LJQANCHMSA-N 447.547 2.400 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCOCC1 1538972697 JSGCBPMAQWPUJJ-AWEZNQCLSA-N 436.354 2.436 30 10 IEEE Cc1cc(CN2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)no1 1538999263 GAFDMYBDTMCKHO-UHFFFAOYSA-N 444.333 2.398 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1539133287 XWSDAWOREMRPLW-IBGZPJMESA-N 434.544 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(N2CCCCC2)c1 1539317846 KCIOGZNGUJZTQL-HXUWFJFHSA-N 431.544 2.126 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2CCOC[C@@H]2C1 1539527136 VDDQBXZJWQGPQU-FQEVSTJZSA-N 441.601 2.307 30 10 IEEE C#CCSCCn1c(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539530180 CLBGYJNSXBKQAF-JZJXAQOMSA-N 434.606 2.404 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539801438 AMOFQFLHVUJDOE-OALUTQOASA-N 444.967 2.273 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1539885197 YJRKRZCYQLXRBV-LJQANCHMSA-N 443.573 2.225 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC)C1 1540905192 RFPGLZYEUDDACL-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1540905576 SZNMRLJXLDKKFK-JKSUJKDBSA-N 441.598 2.181 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](OC)C2)CC1 1547728263 LEDBTTPMPVSWSV-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE COc1cccc(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(N)=O)C2)c1 1548367511 HBPLBBMHQJJGIG-IBGZPJMESA-N 446.429 2.331 30 10 IEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1555125055 DDHYXAGOEFPAFD-HXUWFJFHSA-N 431.500 2.374 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cc(=O)n3ccccc3n2)C1 1557324518 CTBWXWKFPZJQPH-UHFFFAOYSA-N 438.285 2.081 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C(F)(F)c3ccccc3C#N)C2)nn1 1558102308 FEMFSDOISICUNA-UHFFFAOYSA-N 432.431 2.350 30 10 IEEE CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558805077 DJNRRCBDEJWITR-CYBMUJFWSA-N 431.290 2.235 30 10 IEEE CC(C)(C)N1C[C@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 1565103901 PESQUJKFIGRWPE-INIZCTEOSA-N 437.548 2.205 30 10 IEEE CN1C[C@H](C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1565662855 ZKNRIGPHYXLGNH-LJQANCHMSA-N 442.516 2.006 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1566336443 XVPSKRUMIFMGDS-OAHLLOKOSA-N 433.258 2.148 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)C(=O)OC 1568154794 RSKCSJAZHRPUTL-DLBZAZTESA-N 425.323 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@]2(CCOC2)O1 1587667548 KCRQKECAFSABSW-GCKMJXCFSA-N 429.546 2.066 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1587817835 IOGFGQPPJILZJU-SFHVURJKSA-N 433.310 2.480 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1587898463 PDROLTBPXOHGFW-OAQYLSRUSA-N 437.544 2.443 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1588162119 JTNCRBBAXZZGDU-LJQANCHMSA-N 426.542 2.063 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(N3CCSCC3)CCCC2)CC1 1588947931 ZDDICMLSBUHFTC-UHFFFAOYSA-N 444.649 2.168 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1589577536 CDZNYYZDGFYHJZ-GBPOLFSSSA-N 447.580 2.015 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCCOC1 1595506860 OKYGIKMALSHHBF-MRXNPFEDSA-N 429.521 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC(C)(C)C1 1595837978 HNXZEFNLROUZCQ-IRXDYDNUSA-N 426.583 2.229 30 10 IEEE N#Cc1cc(NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)ccc1N1CCC(O)CC1 1595912875 AINCAPBULSQFRJ-SFHVURJKSA-N 441.509 2.083 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OCC 1596595843 MCRMXFRGGVROKH-WBVHZDCISA-N 425.551 2.073 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1596821395 COLBQLBELSTSBJ-OAGGEKHMSA-N 430.475 2.379 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1597338298 VHNZUIQIONCKPT-HOTGVXAUSA-N 444.502 2.249 30 10 IEEE C[C@@H](CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)NS(=O)(=O)c1cccnc1Cl 1598184691 BLYRIUZGFJONDF-YOEHRIQHSA-N 448.932 2.264 30 10 IEEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)CCC1 1611038893 AFDVMIHRHOTIRG-UHFFFAOYSA-N 446.310 2.217 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1611757002 CIWHTGVZEROWAX-IFXJQAMLSA-N 429.435 2.076 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H]([C@@H]2CCCO2)C1 1617306208 LJSYMKMFLVNANG-DGQTTZFYSA-N 429.492 2.483 30 10 IEEE COCC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1619767288 BTGVBUVFUCVPCS-FPDPHYFHSA-N 433.484 2.073 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1619769330 XSCGGPXWIRRNCR-SCLBCKFNSA-N 439.358 2.429 30 10 IEEE COCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1619816198 SJTVLORFTYADNT-INIZCTEOSA-N 431.493 2.126 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1619833095 IKMMCPOLGULIPQ-UHFFFAOYSA-N 436.516 2.257 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CCC(=O)OC(C)(C)C)CC3)CC2)o1 1620315735 YCIFZHYXBXIPQK-UHFFFAOYSA-N 445.564 2.337 30 10 IEEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1627573417 UFHWKJBAIBHWNN-MAUKXSAKSA-N 427.509 2.204 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCO1 1630762897 GITNNKJTGCVIIZ-OAHLLOKOSA-N 425.279 2.269 30 10 IEEE C=C(Cl)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(=O)OCC 1632067435 RQQXFVAJVAESJG-AWEZNQCLSA-N 434.967 2.266 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)CC1 1632960153 BIJIFTWVTVMYLE-UHFFFAOYSA-N 443.594 2.474 30 10 IEEE COC(=O)[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1635518831 JPCLKPWSXABAJR-CRAIPNDOSA-N 449.573 2.380 30 10 IEEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OC 1638400941 CHZVYLUPXAZVGZ-AWEZNQCLSA-N 447.351 2.327 30 10 IEEE CNC(=O)COc1cccc(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1 1640234249 FWHXNRXSALRNBC-UHFFFAOYSA-N 438.333 2.349 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1642528289 UYUOXEULJGJLJR-INIZCTEOSA-N 442.541 2.337 30 10 IEEE C#CC[C@@]1(C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)CCCN1C(=O)OC(C)(C)C 1643809803 SIQJWPIMMWGSDI-GOTSBHOMSA-N 427.501 2.126 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C[C@H](O)CC3(C#N)CCOCC3)C2)cc1 1644925130 LGAOTWJUZFVASJ-VQTJNVASSA-N 435.590 2.057 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)cc1 1645684639 RGKPVVCCHZPKDN-ZWKOTPCHSA-N 435.546 2.116 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCn3c(Cc4ccccc4Cl)nnc3C2)nc1 1654822979 HGRYQCIZYPMVJD-UHFFFAOYSA-N 442.932 2.078 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)nn1 1673802645 IROSZQSCJCUMPC-RTBURBONSA-N 448.568 2.458 30 10 IEEE C=CCOc1ccccc1CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1679222809 IELZWAUKYYJTNL-UHFFFAOYSA-N 437.493 2.258 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CCOCC1 1682887400 KNGIMAJQSHCAHY-GOSISDBHSA-N 434.334 2.345 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 1683503811 BUJKADPCZWMUJJ-IBGZPJMESA-N 425.533 2.209 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCS2 1685660022 CMUVHDCKELAVEE-BATSVXPKSA-N 429.546 2.002 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1689851009 KLPTYEUPJCIZNZ-OKZBNKHCSA-N 446.573 2.362 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1689920975 PPXSOQGBEPLWQH-UHFFFAOYSA-N 448.527 2.422 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689979475 CAUPKTKEHWBVKX-SFHVURJKSA-N 435.638 2.324 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C(=O)N(C)C)c1 1690031770 WZZUEFLXIAZCJI-UHFFFAOYSA-N 448.571 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nnc2n1CCC2 1690039900 WGEWCAJWGKCTGZ-UHFFFAOYSA-N 445.527 2.401 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)[C@H](C)CC 1690043924 SQMVMCWNZAUEMW-LJQANCHMSA-N 445.571 2.385 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1690202849 HMLMKFWVQVECTB-OAQYLSRUSA-N 440.529 2.021 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690411782 UTBIXICCQDNANK-XLIONFOSSA-N 439.651 2.020 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1690449512 JEDDXNMURIJBOO-QFBILLFUSA-N 428.624 2.231 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CO)c1 1690619804 DPYRZCRNPYQRFA-UHFFFAOYSA-N 425.489 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690663630 CEIDOPXVDIGBJS-QFIPXVFZSA-N 425.464 2.386 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@]1(OCC)CCOC1 1690676694 ATRLVOONSGPNRC-QFIPXVFZSA-N 445.951 2.449 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOCC2(C)C)C1 1690709136 CKBAKGCLWWXEEK-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690723940 DWFFJGGITSGSBS-IRXDYDNUSA-N 426.583 2.167 30 10 IEEE CC(C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1691371336 VDEBLAXMVZVTGP-UHFFFAOYSA-N 447.543 2.264 30 10 IEEE CCN(CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1695750695 XNKBXAKFQZHYEA-INIZCTEOSA-N 448.369 2.259 30 10 IEEE CCO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1696003847 GKLZNTVKFHUFIS-OALUTQOASA-N 430.553 2.115 30 10 IEEE Cn1ncc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)n1 1696884831 HACMECIYHQKCGF-UHFFFAOYSA-N 431.504 2.230 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1698492246 DEWDJNUNSFRKQP-MRXNPFEDSA-N 429.406 2.455 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1705506288 VENLNMCWAZXYLD-GXYOHSSGSA-N 435.594 2.375 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705660039 LPYXAPBVTHSDDS-MOPGFXCFSA-N 433.622 2.228 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OCc2ccccc2F)CC1 1705902836 KMHLKHMKQGATCB-SFHVURJKSA-N 443.523 2.409 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1705905367 SPOXDOPIBCEDTB-JOCHJYFZSA-N 445.571 2.277 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1705913606 SQQNMKLDNHIICP-ZIFCJYIRSA-N 446.573 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1705930234 JEIYGFKCAZOHJS-OAHLLOKOSA-N 438.554 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705932167 NTHYZQKZQURYTH-HIFRSBDPSA-N 445.467 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1705933240 YUEAUAGMNUKKKG-ROUUACIJSA-N 434.562 2.094 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1706074700 CMQXSYJFOQZGCU-OPYAIIAOSA-N 434.610 2.323 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1706076330 AYCOFIMVQKVIOS-MRXNPFEDSA-N 430.940 2.367 30 10 IEEE C[C@@](O)(CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1706897572 BHIFVLNFHSSQAQ-FGZHOGPDSA-N 426.496 2.254 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@H](C)O1 1712283882 HWECAKQOYQIFQV-LPHOPBHVSA-N 431.562 2.172 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCCC2)c1 1722305803 UXKYLFNKSDTGOU-UHFFFAOYSA-N 431.544 2.436 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1722366582 IVYVWHTUBFORCF-ZWKOTPCHSA-N 440.635 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCC[C@@H](C)C2)CC1 1722445839 YMKHZQGLIBCBAE-LJQANCHMSA-N 435.576 2.038 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1722505013 QOUCUJNADXRTRN-DXIQSLLYSA-N 441.580 2.213 30 10 IEEE C=CCCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1722609880 HTWUCMNJZDTGFA-SFTDATJTSA-N 438.594 2.302 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCSC1 1722678032 JDZHZGJAMYKJFO-INIZCTEOSA-N 426.550 2.313 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722695514 GFCJTQYFPLYHGZ-HXOBKFHXSA-N 425.533 2.194 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OC)C1 1722695769 PJLUCWSDCOXRSL-CYBMUJFWSA-N 438.301 2.374 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CC)C1 1722709524 RSMFEVWFYFWUSL-ZWKOTPCHSA-N 425.537 2.191 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccccc2)C1 1722719405 TZXVIQUCROVKNO-AQNXPRMDSA-N 446.573 2.349 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1722739854 XVPLDUHOKNBBDV-KRWDZBQOSA-N 441.623 2.077 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1727126672 GTFTVLKXJIMGCW-RXVVDRJESA-N 430.578 2.499 30 10 IEEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)Cc1ccccc1 1729533757 FYFZUIQUFHSCMI-FQEVSTJZSA-N 442.589 2.052 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(C)C)CC1 1729733410 FPOVYKHQVIQAQL-UHFFFAOYSA-N 441.536 2.005 30 10 IEEE CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1729824728 BKHZXOMIFSFEEV-KRWDZBQOSA-N 425.537 2.040 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1)OC 1730462793 FMINNQNAXPUNAI-GOSISDBHSA-N 447.561 2.140 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1730762816 MUTJVAFNHZSLJH-RTBURBONSA-N 438.532 2.202 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCCC2)CC1 1731011705 UYCMOIDFOISOQA-UHFFFAOYSA-N 426.546 2.399 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1740553377 RNJBFFYLSIEVRW-WMZOPIPTSA-N 443.573 2.403 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccccc1Cl 1740641863 OGTRYGDIAFOEBE-QFIPXVFZSA-N 425.920 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1740654369 IRQOGLBAEGRNCY-SFHVURJKSA-N 428.533 2.296 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCn1ccnc1C 1740680567 HARLICCDPQRJFO-UHFFFAOYSA-N 432.326 2.327 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740811281 PSHFSVLWOXXFQP-INIZCTEOSA-N 433.944 2.440 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1740890867 KTFUXGNIBAPYPF-JKSUJKDBSA-N 438.623 2.409 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCO[C@H]1C 1740915234 YXZXYBHZXFHWIF-GAJHUEQPSA-N 431.500 2.339 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl 1740940352 BXAOHMSSDRVFDY-UTKZUKDTSA-N 433.940 2.429 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1N1CCOCC1 1740941233 FRBWKZFQBUTHET-FQEVSTJZSA-N 427.549 2.306 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1740966886 REIVJCIGACUGGA-FQEVSTJZSA-N 425.533 2.500 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1741005411 IQKQZVXCCWADAS-KRWDZBQOSA-N 429.546 2.460 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncnn1C(C)(C)C 1741477276 YJNMOORRFUGECZ-UHFFFAOYSA-N 448.579 2.465 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1747538624 XUYWXBAGCLZQGA-HSZRJFAPSA-N 438.532 2.214 30 10 IEEE Cn1ccc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)n1 1748024970 OWBGSBIUGBHRIH-CQSZACIVSA-N 428.294 2.218 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(OC)cc1OC 1748825124 QGSJPDWIVDAMBZ-UHFFFAOYSA-N 444.495 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCc2ccccc21 1748874663 BMNYRPINIFBYEN-RUZDIDTESA-N 440.507 2.222 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1748958639 DFXWZVXLIKKNHU-UHFFFAOYSA-N 429.484 2.055 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](CC)C1 1749652700 RDUWDPOTSONXMH-MRXNPFEDSA-N 445.593 2.085 30 10 IEEE COCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1749730282 XPKFCRSHSWLKPS-UHFFFAOYSA-N 437.548 2.025 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@H](C)OC)n1 1760209217 ZSWSQCGFHQOORT-INIZCTEOSA-N 426.546 2.189 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2Cc2cc(C)nn2C)n1 1760252276 MATIQBDXSQMRHC-UHFFFAOYSA-N 448.531 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](C)N(C)C)CC1 1760268131 CVOBAKQATCXCLB-QGZVFWFLSA-N 433.560 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(N)=O)C1 1760324333 JTDIRUOGWOTNKS-WWMYMODYSA-N 441.532 2.159 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760528999 SWEVDLZEDHHGNE-SOAMZJECSA-N 430.597 2.172 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760530185 LIGANIZCQQCYOJ-JZXOWHBKSA-N 439.507 2.176 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)C1 1760543596 UOAACSITRCQEHB-IAGOWNOFSA-N 427.505 2.076 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1760565980 IUHHTAHIJYDMIG-HOTGVXAUSA-N 426.608 2.105 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1763512040 CYVPRFDWWDDAAI-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE CCC(CC)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)N(C)C 1764062883 XLFDEMSVDYIPSY-SJLPKXTDSA-N 443.552 2.101 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)C1CCCCC1 1764909342 JUNMANABWMXZIE-UHFFFAOYSA-N 439.612 2.345 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1765591491 XOYHUUSAJJPVMI-IBGZPJMESA-N 440.548 2.221 30 10 IEEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1766315809 DAXLCPBDKUNZHE-LJQANCHMSA-N 446.577 2.151 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1769876612 BIIZKURHOMKEED-GJZGRUSLSA-N 431.928 2.084 30 10 IEEE Cc1nn(CC(=O)N2CCCC[C@H]2[C@H](C#N)c2ccccc2)c(C)c1S(=O)(=O)N(C)C 1848499324 YVZKUTKWYPPMRY-UXHICEINSA-N 443.573 2.439 30 10 IEEE CN1C(=O)C[C@H](C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)[C@@H]1c1cccs1 1850411600 NKYVPSUQXZRAJZ-FXAWDEMLSA-N 428.558 2.268 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)n1 1853385869 YYGVQCUNDCAQEF-UHFFFAOYSA-N 438.289 2.463 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4sccc4F)C(=O)C3)C2)c(F)c1 1854354299 IRESNDLXYIEKLY-MRXNPFEDSA-N 430.480 2.457 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1C 1855629763 NPNZJXXCEIYBBQ-QGZVFWFLSA-N 433.530 2.083 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CSCc2ccccc2)C1)[C@H]1CCN(C)C1=O 1857056404 MTCZSTMXAMYLOQ-UXHICEINSA-N 429.586 2.404 30 10 IEEE CCn1cccc(C(=O)Nc2ccc(C(=O)NCC(=O)Nc3ccccc3C#N)cc2)c1=O 1860915580 HWFDYYQSGABTRT-UHFFFAOYSA-N 443.463 2.361 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc[nH]2)cc1OC 1874200201 PPKVBQZJIXRZHL-FSJBWODESA-N 428.518 2.258 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2(OCCO)CCCC2)[C@@H]1c1ccc(C#N)cc1 1889484820 QEEWAABZWPKIDF-LEWJYISDSA-N 445.585 2.390 30 10 IEEE Cc1nc(I)c(I)n1-c1cnc(C#N)cn1 1936388608 OBPZEODYKSOOLZ-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1988055351 NIQWZWZUEFHPSN-MJBXVCDLSA-N 427.498 2.035 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1 2010231741 PVSGKSLSGRSSKX-YKSBVNFPSA-N 429.561 2.436 30 10 IEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060824457 XGIGQHLXPZIADC-QHAWAJNXSA-N 442.560 2.495 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1 2174560396 SXCBDSSLVBMRAN-GIVPXCGWSA-N 425.510 2.331 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2216866759 DZOSSQIPTQIPRH-JJTUDDRGSA-N 439.553 2.046 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@@](O)(CNC(=O)OC(C)(C)C)COC 2227476462 YCFLHIUFDXHGIX-QFBILLFUSA-N 427.339 2.291 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254751167 JHQZXZUTWLQPLE-GJZGRUSLSA-N 437.321 2.106 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1C 2255630115 FZUJYRCNDFVZSL-UHFFFAOYSA-N 446.300 2.415 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)n1 2255636298 RXEUPGLMSNOVGK-KRWDZBQOSA-N 426.370 2.453 30 10 IEEE C[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255699328 XAADAXMJFKTXDV-GOEBONIOSA-N 431.342 2.366 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC=CCN1C(=O)OC(C)(C)C 2255831211 RQQVRASTZTUHAG-UHFFFAOYSA-N 432.330 2.366 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2255852585 GIOMDMKOJHCCFV-BWNADHONSA-N 438.330 2.184 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256021175 RUMVFGKWWOTERL-HNNXBMFYSA-N 433.358 2.298 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2258957091 KGWOWVKVKHOZET-ZACQAIPSSA-N 434.342 2.009 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2260111890 IYNOEHMGXMQCCU-STQMWFEESA-N 446.300 2.202 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267091168 PNOOVFQMBWYEAC-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE Cc1cc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2267120737 OKVBPADKEJQKBG-DGCLKSJQSA-N 444.259 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140342 BOWNMCMMNYMIMK-UNEWFSDZSA-N 446.357 2.227 30 10 IEEE Cn1ncc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267192531 SAKAUEWBRYAEKU-GDBMZVCRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267263503 GXCQRPBLOVRMHG-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267266048 NACPJMZVXWUXII-HLLBOEOZSA-N 443.353 2.366 30 10 IEEE CCn1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267492599 UQVLBMROPYHZFV-LSDHHAIUSA-N 448.373 2.378 30 10 IEEE Cn1cc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2267505976 QGUPTCWQTFPTKK-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4C[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2267551224 JUQJEGJCSOFZNJ-ICSRJNTNSA-N 434.349 2.122 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268698619 CHGMROSQHDFHND-INIZCTEOSA-N 448.373 2.164 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272636494 LUNXVMARJLZSGU-WNSKOXEYSA-N 445.369 2.311 30 10 IEEE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2278701059 RZLOLVMFIQONEC-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE CN(CCN1CCC(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2339562281 IIOKQHBDDXRFGR-UHFFFAOYSA-N 449.401 2.316 30 10 IEEE COc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc(I)c1O 9028302 OCICAXZUBLGCBB-LMLWXCFOSA-N 438.221 2.146 30 10 IEEE CCc1c(C)sc(NC(=O)C[C@H]2S/C(=N\c3ncccn3)NC2=O)c1C(=O)OC 72435096 VNVJXLYZWCTEGD-LLVKDONJSA-N 433.515 2.443 30 10 IEEE C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H]5O)[C@]3(C2)[C@@H]1OC(C)=O 95919103 GLBRPJYMFLHADY-BYPWJSGUSA-N 434.529 2.338 30 10 IEEE biogenic,in-vitro COc1c(F)cc(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1S(N)(=O)=O 436360044 FOOHFNKVGDEFCT-WMZOPIPTSA-N 431.489 2.323 30 10 IEEE C[C@@](C#N)(NC(=O)CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)C1CC1 470000790 SUMDWVRTMFTJAY-FQEVSTJZSA-N 439.343 2.325 30 10 IEEE CCOC(=O)c1ccsc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 472901763 UYEZDYMVFXOVGL-UHFFFAOYSA-N 448.526 2.335 30 10 IEEE Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(=O)CC#N)CC3)c2)c1 503631024 XCUOSWZMWJCXJF-UHFFFAOYSA-N 440.525 2.302 30 10 IEEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 508880016 JNBGKIBRXMTYPJ-OAQYLSRUSA-N 438.576 2.090 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 508893861 INYNXUJAQFNODF-UHFFFAOYSA-N 442.951 2.245 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508999515 HAUOIVHNJRKEFH-SFHVURJKSA-N 435.532 2.483 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccncc2)c1=O 514329486 IIKDMSYEUOOIFF-UHFFFAOYSA-N 430.533 2.164 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C[C@@H](C)C#N)C3CC3)CC2)o1 532820030 UIUYPWXGFHZAPS-AWEZNQCLSA-N 437.518 2.008 30 10 IEEE COc1ccc(COn2nnc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc32)cc1C#N 535359087 FIKGLXQCHLBTPN-HNNXBMFYSA-N 441.513 2.361 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN([C@H](CC)CO)CC1 536224508 FBRLOJJHRHDBMC-OAHLLOKOSA-N 440.338 2.013 30 10 IEEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549256987 SCHWNXXNVTYMIQ-UHFFFAOYSA-N 438.576 2.064 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncnc3ccsc23)CC1 549692722 HWGGBUOTYOCVFQ-INIZCTEOSA-N 427.534 2.273 30 10 IEEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 561304568 KCBZHMIXZZLFNF-LSDHHAIUSA-N 448.951 2.391 30 10 IEEE Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 609494229 XCCZQWPJTWWOPG-KRWDZBQOSA-N 435.484 2.299 30 10 IEEE C#CCN(C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729333939 CXOIRJKVADHJRI-FQEVSTJZSA-N 445.562 2.231 30 10 IEEE N#C[C@H]1CN(C(=O)NCCc2ccc(I)s2)CCN1C1CC1 732674847 MYTNNAFYKLGEME-LBPRGKRZSA-N 430.315 2.277 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cccc(COC2CCOCC2)c1 766981245 VXVDZBOTZFQLME-UHFFFAOYSA-N 430.482 2.381 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2ccc(OC)cc2)CC1)c1cc[nH]n1 772153486 FLWMQKSJESZTQW-UHFFFAOYSA-N 428.489 2.183 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790233768 ARAPUZKRRSSAAR-DEOSSOPVSA-N 448.608 2.489 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)CCCN1C(=O)OC(C)(C)C 790258997 CXDFVNLARCVYSV-WZONZLPQSA-N 436.597 2.391 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1)C(C)C 790737075 XYOZSZUSBNVUKZ-CVEARBPZSA-N 426.608 2.419 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790870022 SWQIPEXAHVZZBX-GXFFZTMASA-N 449.476 2.330 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1nc(-c2cccc(Br)c2)no1 791167255 HOHOGSJXTDOSNX-VLGSPTGOSA-N 446.261 2.032 30 10 IEEE COC(=O)[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 800883386 YBIXZDXAHKVZGZ-KRWDZBQOSA-N 425.869 2.133 30 10 IEEE C#CCN(C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 801516784 DMHKJXBSLQTRBZ-YOEHRIQHSA-N 427.364 2.489 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803544757 DVAKOAZLMGIZMA-ZCXUNETKSA-N 449.261 2.159 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(Br)ccc1O 804733511 RAAQRALGFQEAMF-NSHDSACASA-N 438.303 2.010 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2-n2ccnc2)cc1 916416068 IONCPBJUAVRLLA-UHFFFAOYSA-N 426.502 2.396 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)cc(OC)c1 1084387336 JSPBVERSHLZSKX-UHFFFAOYSA-N 444.473 2.410 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H]1CCOC[C@H]1OC 1133127213 MFMDRBOJLITOSA-GDBMZVCRSA-N 427.295 2.361 30 10 IEEE COc1nsc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 1153866680 QSDKUFJBFYXJPA-DTWKUNHWSA-N 431.312 2.403 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(C(=O)OC)ccc(OC)c3C2)c1 1153986931 VFPLWPTYWGGLKS-UHFFFAOYSA-N 444.509 2.145 30 10 IEEE O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)N[C@@H]1CCN(O)C1=O 1159325078 QMVNKUDAYOTHKU-CYBMUJFWSA-N 433.877 2.379 30 10 IEEE C#CCN1CCC(NC(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)CC1 1254798882 BNTADXGSSUWWEM-UHFFFAOYSA-N 433.578 2.333 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(c4ccsc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 1279054554 YHLAUJRYUFQLOT-OXJNMPFZSA-N 440.573 2.390 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1CCN(c2ccncc2)CC1 1286462654 QCGVQUGKKIHFJP-UHFFFAOYSA-N 432.532 2.133 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286471254 IEPDDDIAHDHSID-GOSISDBHSA-N 429.590 2.140 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC2(C)C)CC1 1286473297 KDULYCDQLKFHBZ-GOSISDBHSA-N 427.574 2.150 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1286476979 MDXCAPHOMWSGLL-SFHVURJKSA-N 439.564 2.256 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286548625 UCYLJRWPXMYKPV-QRVBRYPASA-N 439.626 2.491 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1286562765 SDWJMVISNIXLFN-YJBOKZPZSA-N 437.541 2.051 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1286718014 UEPKMWZMFZAAEI-BMRADRMJSA-N 446.309 2.184 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286787243 DDKPRFAZFVSMSU-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286827656 WBHQQHBOVSQGMM-GOSISDBHSA-N 446.602 2.254 30 10 IEEE CC(C)NC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1288235824 ULNGOEIIGMZIGQ-UHFFFAOYSA-N 435.488 2.038 30 10 IEEE Cc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1289761650 AJCIXDSJNHDAON-LLGFUMIMSA-N 447.536 2.398 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1291834934 BYNAIOYOOTVIPB-MRXNPFEDSA-N 425.537 2.095 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1cccc(F)c1 1298025076 ASGNZTIFMXQVJT-MISYRCLQSA-N 428.512 2.343 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCOCCS(C)(=O)=O 1298327091 KCCRPJQKWMYJKI-IBGZPJMESA-N 447.561 2.089 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1299198562 CVLULSULVXEWJO-QGZVFWFLSA-N 448.474 2.115 30 10 IEEE COc1ccc(C(=O)Nc2n[nH]cc2C#N)cc1S(=O)(=O)N(C)Cc1ccccc1 1299770150 FIIKEGKGQBTEHR-UHFFFAOYSA-N 425.470 2.363 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1300324706 KPQZBGMTIGEZBN-ZDUSSCGKSA-N 425.411 2.002 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1300441769 YXVBYHCLTQZLRA-UHFFFAOYSA-N 440.367 2.105 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1300505674 FGZHMCQOVJDGFB-OAQYLSRUSA-N 447.539 2.111 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOC1 1300643868 VLCFTNBEKGOXJS-SJLPKXTDSA-N 449.552 2.094 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC(=C)Br)n1 1300681385 NNUSLCKTYYXELM-INIZCTEOSA-N 449.353 2.173 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1300924384 APCNLBOVOZIEFK-JOCHJYFZSA-N 448.589 2.426 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301251953 KBNGSTZXKXZDHH-IBGZPJMESA-N 432.569 2.450 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 1301559186 RDFGLXAZMHIZQZ-INIZCTEOSA-N 429.230 2.219 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1301859247 AMLKEAFPNUCPTC-DVECYGJZSA-N 447.543 2.442 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNS(C)(=O)=O 1301960955 VBCVEYWLYBPJFU-GFCCVEGCSA-N 428.921 2.273 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1301981870 NKAYNPJYNCVWLD-DOTOQJQBSA-N 432.550 2.024 30 10 IEEE CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1302377994 VUKZZXYQIKRATF-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE CC1(C)SCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1303981502 KEBURYIOZBHDTM-IYOUNJFTSA-N 427.571 2.154 30 10 IEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)OC 1305819222 SJOQPIGXTXOZPL-GHTZIAJQSA-N 429.546 2.257 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)C1 1311835637 UWMIXDBNVHYRIK-IBGZPJMESA-N 426.542 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 1312830148 QFFZJRUCHHGHJV-MOPGFXCFSA-N 430.505 2.277 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 1313403307 WQNPRLQILHCYIT-UHFFFAOYSA-N 442.541 2.391 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1314938359 BTDLKCRMWWETPV-HNNXBMFYSA-N 436.438 2.356 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 1318042666 FKTJIDYWUSKFPG-MRVPVSSYSA-N 439.540 2.310 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCOC2)C1 1340088382 IHWUBZDHJZXQRV-IAGOWNOFSA-N 446.577 2.056 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(COC)CCOCC1 1358877537 GNDRHNHEWPQYNB-QGZVFWFLSA-N 446.573 2.250 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(=O)(=O)CC 1358882072 SKUKTKJVAMFIEK-INIZCTEOSA-N 426.546 2.281 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1358961689 DBJKCKOCWLTLJP-SFHVURJKSA-N 444.557 2.238 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358964873 IXDZXYKNGRAOGL-IEBWSBKVSA-N 449.646 2.287 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)CC1 1359129408 ARZBWDRRJBHHEF-UHFFFAOYSA-N 443.548 2.077 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1)c1ccccc1 1359138984 IWYZDKXRUVVYIX-IBGZPJMESA-N 429.546 2.091 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1359298426 ZAYHJTAHRTYUKV-UHFFFAOYSA-N 426.484 2.203 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359305021 QTXHGNJRGVVREW-LJQANCHMSA-N 449.559 2.449 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(Br)ccc(Cl)c3[nH]2)CC1 1449065451 YMAZPYFKNBMBJS-UHFFFAOYSA-N 437.725 2.091 30 10 IEEE C=CC(C)(C)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1460036338 JYKDXFBUOZRSOO-UHFFFAOYSA-N 436.315 2.484 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](CO)c1ccccc1I 1460911970 DZFGDSRVQYSKLK-YLQAJVPDSA-N 429.302 2.357 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1467599891 TUYJDHXUFULJNL-MRXNPFEDSA-N 440.363 2.183 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CSc4ccccc43)CC2)cc1 1470280872 AZVJXMDLHXQQRN-KRWDZBQOSA-N 442.566 2.464 30 10 IEEE N#Cc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1472641892 CBPSKIPMABAQLT-UHFFFAOYSA-N 437.319 2.349 30 10 IEEE COC(=O)CNC(=O)CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1476792218 GLOYLIHZUQTIAA-UHFFFAOYSA-N 433.280 2.387 30 10 IEEE CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1503836526 OPBYNIDUFIQICH-UXHICEINSA-N 442.589 2.304 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)C[C@H]1c1ccccc1 1505326734 QHDBBZINVNITGW-OAGGEKHMSA-N 439.463 2.486 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1507572286 FNKAJUURBVDKHW-UHFFFAOYSA-N 435.532 2.320 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634188 WZMPOLDQBZFOGA-SFTDATJTSA-N 442.585 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCC1 1507638311 YNUPWWXFRVJXPH-UHFFFAOYSA-N 425.920 2.239 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1507677647 FEOULGSKKFTVCH-HXUWFJFHSA-N 433.965 2.189 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccs2)CC1 1507754201 UZSKRFXUDVPXCM-UHFFFAOYSA-N 444.630 2.151 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1508090960 KQQOPNZZHIVGOQ-QUCCMNQESA-N 443.523 2.409 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(C)(=O)=O)C1 1510283171 BNKPXKQWDDQXLM-OAQYLSRUSA-N 439.545 2.173 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C[C@H](C)O1 1512502055 XTUSEZSZHREJBL-IRXDYDNUSA-N 438.532 2.401 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC1([S@](C)=O)CCC1 1517106910 BCMXYIQHMHZZDG-HKBQPEDESA-N 440.573 2.210 30 10 IEEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1520464625 HGSJAPIEQWHWQN-UHFFFAOYSA-N 441.605 2.170 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1521069566 OJEIWLZXFPBGPT-DYESRHJHSA-N 428.468 2.097 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1525734228 BSSDOGFJFPLCBF-HOCLYGCPSA-N 448.449 2.020 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)CCOc3ccc(S(C)(=O)=O)cc3)c2C#N)C1 1529937680 BKQYCVNFEHHKEQ-UHFFFAOYSA-N 447.538 2.335 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OCC 1531936274 CDQMLIUWXJMSCZ-WMLDXEAASA-N 434.876 2.266 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)c1cccc(O)c1 1539026276 SWIYDCGCXMPBCW-QGZVFWFLSA-N 435.532 2.123 30 10 IEEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539109174 JVSDRJRZHIZLCE-UHFFFAOYSA-N 438.557 2.425 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NCC)c1 1539194266 VTOLQRTWNKTIME-UHFFFAOYSA-N 436.541 2.137 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539224429 GWTJHYCGKFXGQV-QUCCMNQESA-N 447.649 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1539266105 MDQVIMQZCQZIBY-GUDVDZBRSA-N 432.590 2.094 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1N(C)CCCC1(C)C 1539401054 QZDMHSAGLBAWCV-WMZHIEFXSA-N 433.597 2.137 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1Cc1ccc(N2CCOCC2)nc1 1539405507 BLPCBZRHUFVEIA-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)NC(=O)OC(C)(C)C 1539409397 ZWZIQXORRLBNRO-UHFFFAOYSA-N 429.525 2.124 30 10 IEEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539982668 POPJPQUREBHVCO-MSOLQXFVSA-N 425.599 2.389 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCN(C)C1 1540133383 HZWBPRGOZKDTMF-XMMPIXPASA-N 435.576 2.399 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)C1 1540891978 CNAHSACQSWNEEB-BBWFWOEESA-N 426.608 2.247 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)C1 1540894342 VRBNSSQSSDKRTH-NRFANRHFSA-N 432.528 2.387 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1541261998 MJIAADTUVNILOU-IBGZPJMESA-N 449.559 2.036 30 10 IEEE CC(C)N(C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1541608129 LIZAOIAMRDAFMU-UHFFFAOYSA-N 445.575 2.197 30 10 IEEE CN(CCC1CCOCC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1554270329 UNQDYRVXBHTVOV-VZCXRCSSSA-N 439.520 2.053 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1557770694 RPZBSUCOURPYCP-SFHVURJKSA-N 440.357 2.250 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CCCCC#N)c1 1585869898 NCSUGJSCPCZOAE-UHFFFAOYSA-N 435.594 2.491 30 10 IEEE C#CC[C@]1(C(=O)NCCC(=O)NCCCc2c[nH]nc2C)CCCN1C(=O)OC(C)(C)C 1586072903 NGJFVZDPNQWNEG-HSZRJFAPSA-N 445.564 2.066 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1588732600 DGLFCBIMNANNBV-UHFFFAOYSA-N 442.514 2.429 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1589088607 BIGQKTXPZIZFDV-MRXNPFEDSA-N 439.632 2.014 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595544574 KLCUZNYVZPPWLN-UHFFFAOYSA-N 435.594 2.176 30 10 IEEE CS(=O)(=O)C1CCC(CNC(=O)COc2cccc(Br)c2C#N)CC1 1597913946 AYAIOFCHBXJLFA-UHFFFAOYSA-N 429.336 2.419 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1608308698 XBYAHVQNXCLJQH-GCJKJVERSA-N 430.553 2.275 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1614355200 DFCXKMXZYJVCNT-HNNXBMFYSA-N 437.548 2.318 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1615316611 HQFASWXMQALHGH-UXHICEINSA-N 449.559 2.180 30 10 IEEE CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617171554 LBIQORRIKSPYGR-HNNXBMFYSA-N 434.342 2.249 30 10 IEEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1=O 1618456150 LDZQQVNDYSVXGA-KXBFYZLASA-N 434.422 2.063 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)C1 1618656173 RBJRFBYXNMMBDJ-SFHVURJKSA-N 426.521 2.118 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 1625223006 AXUBLSLGWJRKOA-HXUWFJFHSA-N 443.544 2.309 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)cc1 1626004413 PHRJKRUMEICBPA-USMQXWLVSA-N 434.562 2.475 30 10 IEEE CNS(=O)(=O)N1CCC(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)CC1 1627117168 CSMHADHTWOJEAA-ZDUSSCGKSA-N 432.468 2.122 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 1628703039 UGNIBDXVOQCJRT-OAHLLOKOSA-N 438.431 2.384 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N[C@H](CC)CO)cc1 1630268770 HOZIMZQPDVLGOA-IEBWSBKVSA-N 431.533 2.361 30 10 IEEE CCOC(=O)[C@@]1(COC)CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1634780035 GAILEVYSGJMFMC-QHCPKHFHSA-N 436.549 2.455 30 10 IEEE C=CCC[C@@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1)C(=O)OCC 1636817045 VKJXWCULOCMONW-LJQANCHMSA-N 436.574 2.384 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@H]2CCC3(CCOCC3)CO2)s1 1637938792 GQONTVGYVHIDSE-MRXNPFEDSA-N 442.603 2.237 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N(CC(F)F)C[C@H](C)O)cc1[N+](=O)[O-] 1640789581 QLXHDNLTYMEQJY-LBPRGKRZSA-N 437.403 2.469 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CC1 1644428803 KWEYJPYCPCZEOQ-UHFFFAOYSA-N 444.578 2.486 30 10 IEEE COCCN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 1646032705 WAEPCFVWWFYHRQ-UHFFFAOYSA-N 442.969 2.315 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)C2)c(=O)nc1O 1648790802 VOWQMGOYAQADEU-UHFFFAOYSA-N 443.179 2.299 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1649035695 IXIHNHSIMMMQMZ-IUODEOHRSA-N 436.452 2.386 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)C2)c(F)c1 1651223416 DCMQUUJUKFLBLU-INIZCTEOSA-N 436.443 2.428 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)nn1 1656351906 ATMHEHJANDRHDL-UHFFFAOYSA-N 447.286 2.021 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)CC1 1660598780 QMBLJAORQIDGDW-OAQYLSRUSA-N 432.609 2.121 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 1665968604 DLBKNVCAUMEXSY-WOJBJXKFSA-N 448.589 2.258 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)cc21 1673307240 MWSGQQXFHIZQPU-UHFFFAOYSA-N 433.516 2.478 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CC1 1681861849 YHMSKOKNYJHSEK-JOCHJYFZSA-N 438.553 2.136 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 1683711427 JHIKYXAJWOZWMN-ATZDWAIDSA-N 432.542 2.389 30 10 IEEE C=CCNC(=O)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1683917767 FSVMSZWEUNXWLF-OALUTQOASA-N 446.548 2.390 30 10 IEEE C#CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1685764254 PBHVLJXVFONICY-IEBWSBKVSA-N 426.517 2.270 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CCc4ncc(Br)n4C3)C2)nc1 1685777593 FBGUGIKRYJUORX-KBPBESRZSA-N 431.294 2.090 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCc3c(nnn3-c3ccccc3)C2)C1 1686055015 GDAGEOBCKUUXBF-WBVHZDCISA-N 437.504 2.094 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)c1 1689828784 ROHDDTGUAJBVGA-MOPGFXCFSA-N 427.549 2.345 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1cccs1 1689959616 HFYOPPNTXSBAOP-FQEVSTJZSA-N 444.586 2.277 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOC1CCCCCC1 1690033344 VQXSTLFPPMLQNZ-SFHVURJKSA-N 435.594 2.091 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@H]1COCCO1 1690101217 SIJWMWLIXHBSED-IBGZPJMESA-N 437.500 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCc2nccnc2C)CC1 1690140317 UOUOWCXJWQOYIC-UHFFFAOYSA-N 447.518 2.391 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1690205054 ZFTKVQZBYWRJKQ-XUZZJYLKSA-N 428.625 2.438 30 10 IEEE C=CCN(c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690548871 RCUYTLOWCRRKAK-JOCHJYFZSA-N 430.574 2.158 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1690567610 IZZATFCGDKCMJY-HSZRJFAPSA-N 425.533 2.399 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1694146732 DLTKYINUSMESIP-QFBILLFUSA-N 446.577 2.180 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2CCN(C(C)=O)CC2)CCOC1 1696046092 GBAHKUXDFTWQOH-QHCPKHFHSA-N 444.580 2.319 30 10 IEEE COCCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C#N)o1 1697984760 FESSTMQTYVIMBT-UHFFFAOYSA-N 436.520 2.438 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1698129586 NHAIZBSAIWZDIB-FGSXEWAUSA-N 433.553 2.470 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N(C)C)CCSC1 1705482162 TZIGAEDTKUTANJ-KKSFZXQISA-N 447.630 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1705492220 NKNJIXMSBIXGQH-AUSJPIAWSA-N 434.587 2.188 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1705568013 FOMAEUKPQIWXEF-FQEVSTJZSA-N 442.585 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705578916 MCVRBIKHMPXIDG-JOCHJYFZSA-N 426.524 2.028 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)c2ccco2)CC1 1705641461 GZOYAHGNDQRTOJ-VWLOTQADSA-N 449.555 2.328 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1705740751 WDKBFVXOEZLWTQ-UHFFFAOYSA-N 445.520 2.347 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705906494 HIUMGJPTYVAFAB-BGYRXZFFSA-N 441.532 2.153 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccn2C(F)F)C1 1705914044 FIFTYWFLJYYKPL-AWEZNQCLSA-N 444.446 2.347 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOCC1(C)C 1706405229 FVIXEBQRXNUXSL-UHFFFAOYSA-N 439.564 2.122 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)N1CCOCC1 1712524444 CKEDXODGLHQRPT-SFHVURJKSA-N 434.585 2.243 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2ccncc2)c1 1722310659 YKJKNUGSYHRKKI-UHFFFAOYSA-N 440.511 2.373 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1722336890 RKIUELWHSGLIHE-KRWDZBQOSA-N 447.543 2.145 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccco1 1722342836 ZNRFDCOBCVMDDW-OAQYLSRUSA-N 427.892 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCCN(CC)S(C)(=O)=O 1722394259 SUQCBLPVUWVVHH-UHFFFAOYSA-N 431.537 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)C(C)(C)C 1722420921 MVKQGHWWQHQTAV-UHFFFAOYSA-N 449.533 2.153 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722619776 CXPWVQIXGMHJAY-SFHVURJKSA-N 427.553 2.354 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOCC1(C)C 1722632018 DUFUPGXXTQWKEF-UHFFFAOYSA-N 433.578 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)C1 1722713673 ITSOAGRYSSEOLF-JKSUJKDBSA-N 432.912 2.138 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C#N 1722723863 HFPDGEYIUOFKFQ-GFCCVEGCSA-N 441.355 2.232 30 10 IEEE CC(=O)NCCCn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722859288 ULFBPNZTNZLOOW-BHYGNILZSA-N 433.557 2.171 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1723770625 BPVDDFMHLDMAAH-JLTOFOAXSA-N 431.566 2.138 30 10 IEEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1)C(F)(F)F 1723902341 CMPDLBIRBIEWES-AWEZNQCLSA-N 445.453 2.066 30 10 IEEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N 1729736384 BGVLXFXNNMFXKZ-ZIAGYGMSSA-N 440.957 2.217 30 10 IEEE CS[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1731048152 YYBFNBFMJLUMRP-OAHLLOKOSA-N 438.561 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1740548218 GPABHTJGSBBELB-ZWKOTPCHSA-N 432.569 2.140 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1=CCCOC1 1740560751 PANDHXAZKUVXNQ-OAQYLSRUSA-N 434.588 2.447 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740720378 WOMBGLHBYYHWHR-UHFFFAOYSA-N 445.633 2.452 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(CC(C)C)CCO1 1740736481 RXLRMTDPRJVYTE-SEDAZVQISA-N 445.608 2.351 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1740876545 UFZMTOQNMWRZIQ-QZTJIDSGSA-N 437.610 2.279 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740879083 GDKWWVBTCWFVAW-KRWDZBQOSA-N 441.561 2.338 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)C1 1740953915 VSHKRUBDNLFFIX-GFCCVEGCSA-N 439.383 2.290 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(c3nnc4n3CCCC4)CC2)nnc1C(C)(C)C 1740965075 LGSKHNNMPRYOAB-UHFFFAOYSA-N 426.569 2.190 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)[C@H]1C 1740988822 QIAHYCGVNPSTTK-MRXNPFEDSA-N 429.546 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)ccc(F)c2C1 1740990061 HMSIFQNITBTKSG-UHFFFAOYSA-N 448.499 2.120 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1741088094 BLZIVVOKIVFMRF-UHFFFAOYSA-N 448.474 2.115 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)CN1CCCCC1 1744688890 HALHIVLYAWUQLR-GOSISDBHSA-N 439.612 2.203 30 10 IEEE CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1747410938 GXPRBWYLFGHHPA-MSOLQXFVSA-N 447.561 2.198 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)CC(F)(F)F 1747948924 IABOWEJSNRESAO-IAGOWNOFSA-N 447.465 2.026 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@]2(CCOC2)C1 1748735067 NMXUDNHAZNXALT-LJQANCHMSA-N 434.338 2.455 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748761271 SHDPDLDSUMMRNZ-OAQYLSRUSA-N 425.533 2.229 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1748817018 CHVURHAXMHABPE-IRXDYDNUSA-N 434.587 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CCCO1 1748858062 LHHQMSOWVXBZTH-JPYJTQIMSA-N 443.548 2.228 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCCO)c(OC)c1 1748890670 SRYSIAOZTYHFNV-FQEVSTJZSA-N 438.528 2.063 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)nc1 1748964619 KUJIGDKMHGEORL-UHFFFAOYSA-N 426.565 2.233 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C)C1=O 1749583039 UOTDHIGBWQQEQK-XMMPIXPASA-N 436.560 2.228 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1749690513 SSPAVTPBDPUHLJ-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1750995348 KLOPANZEVVWTSA-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H](C(F)(F)F)O1 1752311513 CHGNLAOHADCZAA-CJNGLKHVSA-N 436.438 2.451 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C)C(C)(C)C1 1760165875 JAGUGCSKIJOEQS-UHFFFAOYSA-N 448.413 2.142 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760275896 MNUJGQQYMNIHRA-GOSISDBHSA-N 439.541 2.399 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1760282492 FXHMUJOOISSDRS-SJORKVTESA-N 429.594 2.347 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)CC1 1760325053 NVSJKKMJYSOOQM-AVRDEDQJSA-N 425.533 2.185 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](COC)C1)c1ccccc1 1760362099 ASMLUWATRBAZHR-MSOLQXFVSA-N 433.578 2.465 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760449606 OOUGCSFXYBEPAT-PMACEKPBSA-N 436.516 2.271 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1761554686 WYRKHVHNMXRERG-GFCCVEGCSA-N 432.422 2.276 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@@H]1N1CCOCC1 1763082602 PZHCRVCSBMSQOX-LPHOPBHVSA-N 446.502 2.255 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1766497117 BSGICZOXNYLMCW-WMZHIEFXSA-N 441.532 2.397 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1767183734 DGWRWKILFUWMDO-UHFFFAOYSA-N 449.393 2.032 30 10 IEEE CN(Cc1ccoc1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768717996 QHYWTRQZVUTCGM-QZQOTICOSA-N 433.472 2.020 30 10 IEEE C[S@@](=O)Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1 1770365456 CRFWNUDORWHBIH-WJOKGBTCSA-N 440.573 2.067 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)C[C@@H](C)O1 1770960090 DGHNTEKSHMBEFC-APWZRJJASA-N 429.521 2.394 30 10 IEEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1771040112 PRGXTTSZBFEHOO-UHFFFAOYSA-N 440.548 2.425 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1771177084 XAPLXJPGRUEZLZ-MEFWESNSSA-N 446.552 2.153 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC1CCCCC1 1771189826 YIDUTLULSPHXCQ-KKSFZXQISA-N 436.532 2.283 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1772887296 LLLHYAYEMQJDDM-SFHVURJKSA-N 446.577 2.007 30 10 IEEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@H]1CSC(C)(C)C(=O)N1 1849847904 QWCKZEAANJUEJN-RBUKOAKNSA-N 448.585 2.048 30 10 IEEE N#Cc1ccc(CC(=O)Nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1 1851188623 MYZDYBJPGUUWEC-UHFFFAOYSA-N 426.480 2.492 30 10 IEEE CN1C(=O)CC[C@@H]1CO[C@@H](COc1ccccc1C#N)CS(=O)(=O)c1ccccc1 1851326557 LGPQIBDJHMGVDF-MOPGFXCFSA-N 428.510 2.417 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)nc1C 1851715356 OGJXDMTYOHLVAT-LJQANCHMSA-N 444.488 2.420 30 10 IEEE COc1cn(-c2ccccc2)nc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852788584 LEDUDBCDHWMOMT-UHFFFAOYSA-N 432.484 2.127 30 10 IEEE N#CC1CCN([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2=O)CC1 1853789452 HYOBSQBXGYNCDC-APWZRJJASA-N 428.920 2.446 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CCn2ccnc2)CC1 1855613839 XDILRAFSTMZOAF-UHFFFAOYSA-N 428.514 2.120 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4nccc(Cl)c4F)C(=O)C3)C2)s1 1856326063 BHXFZLZKVOSBFR-CYBMUJFWSA-N 447.923 2.366 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(SC)cc2)C1)[C@@H]1CCN(C)C1=O 1857240344 NEZJPWQGNZEPGZ-AZUAARDMSA-N 429.586 2.435 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862745525 KUSUIVUSQHZRTM-QGZVFWFLSA-N 443.368 2.169 30 10 IEEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nccn1C 1870233225 ZHZKAUKALQPWJY-UHFFFAOYSA-N 437.525 2.461 30 10 IEEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(CCO)Cc1ccccc1 1870516153 BLLYBBNEUUAQCT-UHFFFAOYSA-N 427.545 2.324 30 10 IEEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N(CC)CCO)n1 1871703804 HHBIEVYKNFLCHZ-UHFFFAOYSA-N 440.289 2.058 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711230 FOVJMXJOWZMBGJ-UHFFFAOYSA-N 445.527 2.155 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccnc1 1874431748 WFQUSYUWTDFHCC-AUEPDCJTSA-N 427.465 2.061 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874505914 FGAJPUZGZSFOFS-FSJBWODESA-N 439.497 2.413 30 10 IEEE O=C(NCC#CCN1CCOCC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 1889434298 WDZCNYPENKIDCV-UHFFFAOYSA-N 433.556 2.001 30 10 IEEE O=C(Cc1cc(Br)cc(Br)c1)NCC#CCN1CCOCC1 1889894838 HOPRTGHUTUUCEN-UHFFFAOYSA-N 430.140 2.206 30 10 IEEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)NCC#CCN1CCc2ccccc2C1 1890428129 QUVZMKIGXNFENI-UHFFFAOYSA-N 428.492 2.033 30 10 IEEE C=CCN(CC(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985006591 FVWFTPWSVORCSO-XHSDSOJGSA-N 427.542 2.190 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C 2124451621 MNJHFNOQCYMAGI-ZDUSSCGKSA-N 426.315 2.321 30 10 IEEE COCCN(CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2128720519 MIAPDHFKYIUBPK-UHFFFAOYSA-N 448.369 2.486 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224077952 BOCQAYFRSXKOCY-XOYOTBSWSA-N 431.342 2.473 30 10 IEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2243435708 VRBVQKVCWXNFMO-CABCVRRESA-N 428.360 2.197 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2247918145 JLRLYHWOTZVMQG-UHFFFAOYSA-N 439.343 2.031 30 10 IEEE C=C(Br)CS(=O)(=O)NCCO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2251556763 XMOWZLDTAXWHLW-CYBMUJFWSA-N 427.361 2.231 30 10 IEEE Cn1nc(C(=O)NCC2CN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255649751 WBOPYNPSCJZUNK-UHFFFAOYSA-N 444.772 2.235 30 10 IEEE COC(=O)[C@H](CC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2256599434 DLEHAMAVAMAWEU-HNNXBMFYSA-N 438.330 2.233 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267093799 YCUFXVLKCJNZFO-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267265186 BMNYUEDQRQDKEQ-ROUUACIJSA-N 446.353 2.350 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267515443 OOLUINGJJFUXMA-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCCO1 2268716818 PWKWYHJLJOLFGT-YOEHRIQHSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)C(=O)O 2317251753 NBLYMOKKBNMTNY-INIZCTEOSA-N 432.282 2.214 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)[nH]1 2337025773 MGUVCCXXGDZEND-KRWDZBQOSA-N 447.385 2.407 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)c1 20424308 QDPYAKSOVRHVLD-KEBDBYFISA-N 441.521 2.372 30 10 IEEE N#Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1 20832535 IVJAJNAHFPGUOL-AWQFTUOYSA-N 438.429 2.467 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)NCC#CCOc3cccc(NC(C)=O)c3)CC2=O)cc1 90732099 WIYGQTVGOONYQE-SFHVURJKSA-N 435.480 2.205 30 10 IEEE COc1cc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCO)cc(Br)c1O 102692099 ONTJHRYHQTWMMD-DSDLTIFZSA-N 438.230 2.170 30 10 IEEE C[C@H](C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)n1cnc(C#N)n1 409769612 UTBRKYZOLQSCIP-YJYMSZOUSA-N 427.461 2.159 30 10 IEEE CN1CC[C@]2(CCN(CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)C2)C1 429031602 VJBYHAHJWGUSNL-KOSHJBKYSA-N 425.577 2.384 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460555046 DLSAYWOWKKBOTA-UHFFFAOYSA-N 433.578 2.241 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1OC(F)(F)F 479917948 ZRSQDYVYSIZMFT-LBPRGKRZSA-N 427.404 2.440 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 480099141 MDEWPSYAEPWHMU-GOSISDBHSA-N 430.512 2.184 30 10 IEEE CN([C@@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)Cc1ccc(C#N)cc1F 480704981 FHMUAGSOPAZZBD-MRXNPFEDSA-N 440.294 2.448 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 482433086 FEHSBBNYRPRLMS-SIFCLUCFSA-N 431.489 2.353 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(N3CCCCC3)CCN(C)CC2)cc1 483481949 ZAKMXIKYNZEEHD-SFHVURJKSA-N 447.605 2.444 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](CO)Cc3ccc(F)c(F)c3)C2=O)cc1 488268327 XVCKESSYIDQROO-NQIIRXRSSA-N 442.466 2.088 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C1 505017988 DEDDAOHNCMVUOK-CALCHBBNSA-N 446.573 2.444 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2ccc(F)cn2)CC1 508466246 UFKCBZLDLVMLCX-UHFFFAOYSA-N 446.490 2.239 30 10 IEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508488231 IWQUUEUJAGAIKB-UHFFFAOYSA-N 435.532 2.383 30 10 IEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(c2cc(OC)ncn2)CC1 508868396 UWQMWKDWMBRXLF-UHFFFAOYSA-N 437.504 2.177 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](O)(C(F)(F)F)C1 508919035 OTMPMMFCPLYYLE-KRWDZBQOSA-N 430.452 2.428 30 10 IEEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)c1OC 548841595 UUMFYGVHIYQNJM-UHFFFAOYSA-N 445.497 2.131 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(Cc4nccn4C(F)F)CC3)C2)c(F)c1 553237573 CJRITMWFBFZFMZ-INIZCTEOSA-N 432.450 2.460 30 10 IEEE CC(C)(C)OC(=O)c1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cn1 554969187 GHTDPPBRKNDRLK-KRWDZBQOSA-N 439.497 2.457 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)C)CC1 557008136 CZMKSFLHHKYTJP-UHFFFAOYSA-N 435.576 2.430 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)cc2)c1N 557659971 KCCGEGKLFDUKNL-UHFFFAOYSA-N 437.891 2.342 30 10 IEEE CC(C)n1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 559124924 XGQOREDVENCUDV-DLBZAZTESA-N 449.515 2.144 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 574978868 KOTCMWQZZTZFJS-CQSZACIVSA-N 431.491 2.380 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 584505690 WGQVNQJBWSGCHU-UHFFFAOYSA-N 441.923 2.071 30 10 IEEE COc1cc(-c2cc(C(=O)N3CC(Oc4cc(C#N)ccn4)C3)n[nH]2)cc(OC)c1OC 585249661 VLDRFVXRFAOJSF-UHFFFAOYSA-N 435.440 2.273 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 585470424 LXFVQXCGHPDEBG-UHFFFAOYSA-N 426.546 2.240 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(-c4ncon4)cc3)CC2)cc1 608893678 ZDPBACBTUGGKRE-UHFFFAOYSA-N 438.469 2.147 30 10 IEEE COc1cc(F)ccc1N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 734476659 WFLRCZLPHNRWIK-UHFFFAOYSA-N 437.475 2.250 30 10 IEEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)s1 736586662 HBMRCJSCBYLSDO-AWEZNQCLSA-N 431.583 2.280 30 10 IEEE Cn1cc(C(N)=O)cc1C(=O)OCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 756693116 TXEPVOSCSXICSF-UHFFFAOYSA-N 445.479 2.461 30 10 IEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)c1C 765146607 VSVMYEQGBLYNNY-UHFFFAOYSA-N 436.537 2.257 30 10 IEEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765545341 VNXJYCBNDSPALS-GOSISDBHSA-N 446.552 2.067 30 10 IEEE COC(=O)CCCC[C@@H](C)C(C)=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 767781865 LYMVAUCLINIMDC-MRXNPFEDSA-N 439.582 2.175 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 776871320 GITSCZOFMWAYLC-UHFFFAOYSA-N 432.496 2.372 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)c1 784123666 FPNYVIJBWJWFFA-AZUAARDMSA-N 442.585 2.094 30 10 IEEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(-c3ccsc3)c2=O)cn1 793470078 VPSZBLNGWJGFMY-UHFFFAOYSA-N 443.513 2.453 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccs1 802701813 OMTWSKQBFHBJQV-QGZVFWFLSA-N 427.578 2.483 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(C)COC)c1 813564505 DCGIYQXLQFSJGB-LJQANCHMSA-N 444.601 2.340 30 10 IEEE COC1(CC(C)=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCC1 814687700 ROYWFWHNYDTOSS-UHFFFAOYSA-N 426.495 2.363 30 10 IEEE C#CC[C@]1(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)CCCN1C(=O)OC(C)(C)C 816747360 JVFIMFFDYFXERH-WVMBUTMQSA-N 444.528 2.388 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 917768560 QMUHCTUUGLZGGS-LJQANCHMSA-N 448.548 2.003 30 10 IEEE O=C([C@@H]1CCN(CC(F)(F)F)C1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1131212570 RMJINPGEUNCBFH-UTLUCORTSA-N 443.310 2.471 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)n[nH]2)c1C 1136316052 QCRTVWSDYWMQMG-INIZCTEOSA-N 434.566 2.010 30 10 IEEE C#CCCN1CCC(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1136962333 IJSAZRAOKZQSOK-UHFFFAOYSA-N 445.361 2.124 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 1136998322 KFDCSIYBQOFYDI-UONOGXRCSA-N 425.917 2.068 30 10 IEEE C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1141468897 CIDIEBLRIIWRRJ-HNNXBMFYSA-N 432.933 2.227 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCO[C@H](c4nccn4C)C3)ccc2c1=O 1142057627 CTDBUBASFGDZEY-PBHICJAKSA-N 425.514 2.255 30 10 IEEE COc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)on2)cc1 1146697605 TWUUEHOGNVHLLY-UHFFFAOYSA-N 440.481 2.472 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1 1152372434 YWKHXWOSWHEAIB-RBUKOAKNSA-N 447.557 2.212 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C 1162510745 OGVFKYZXBBVUMD-VKJFTORMSA-N 435.546 2.194 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSC[C@@H]2CC2(Cl)Cl)CC1 1188650364 NWLJWJNZEZCAEG-AWEZNQCLSA-N 448.397 2.318 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H](OCC=C)C3)c([N+](=O)[O-])c2)C1 1254646584 ZLHRDRYPRNUNRG-QZTJIDSGSA-N 429.473 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286291106 BNTFOBJLMUQKBO-MANSERQUSA-N 435.594 2.182 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286317496 GNSNCKVMFDRUBQ-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286394295 NTGRGPBPPIBSCC-UXHICEINSA-N 433.622 2.264 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(Sc2ccccc2)CC1 1286398044 RYOASNBUSIPGOU-KRWDZBQOSA-N 443.598 2.286 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)CC1 1286605282 UQLHSSBWADDOLG-UHFFFAOYSA-N 428.356 2.197 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1286764259 KFJJZGWEEFLWPM-AVRDEDQJSA-N 444.605 2.495 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(F)cc2C1 1286781154 PCNFVLOXBKWBEI-UHFFFAOYSA-N 428.512 2.201 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1286788289 UDPBLMWNHYUCAG-LJQANCHMSA-N 446.502 2.427 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1287911548 IRJJUZKWFUKRFZ-QFIPXVFZSA-N 442.589 2.172 30 10 IEEE CCCN(C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)c1snc(C)c1C#N 1289083575 DZJQMKMGDJCNOB-UHFFFAOYSA-N 434.543 2.242 30 10 IEEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CC1 1293712547 HJPZVYFYXIHKJN-UHFFFAOYSA-N 431.602 2.378 30 10 IEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)COC)CC1 1296381316 AODKYHIWVYIPJP-KRWDZBQOSA-N 442.520 2.290 30 10 IEEE CCOCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297486086 BRVHCPHOXIUVNA-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CCOCC1 1300459916 KLMXQLYJFFRNRA-UHFFFAOYSA-N 448.618 2.220 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1nc(C)no1 1300471417 BFFIJZHLVZWGKK-UHFFFAOYSA-N 448.575 2.036 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300495967 LYDGNSBGIKTDJR-AZUAARDMSA-N 444.557 2.203 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(OC)CCOC1 1300642484 PNASXNJWPQWFBR-JOCHJYFZSA-N 429.496 2.001 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 1300731784 VATAYIWPUGECSZ-HXUWFJFHSA-N 441.507 2.141 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1301151972 SZHJRSIWQNHFBI-GOSISDBHSA-N 449.577 2.378 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1301222608 AUGIHXOODFQOIL-HXUWFJFHSA-N 440.548 2.015 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1301222926 JMOZMOSYOKSSLP-IAGOWNOFSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301231967 SKJQWZRBXQWDHE-UHFFFAOYSA-N 431.500 2.351 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1301497032 LQLVBQKMWXILOE-UHFFFAOYSA-N 446.437 2.186 30 10 IEEE C=CCC1(O)CN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)C1 1303534631 KTRZNHMAXUQNGE-HZPDHXFCSA-N 428.558 2.485 30 10 IEEE COc1cc(C#N)ccc1CN1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1307944517 FWJGRKOSXDNXTI-UHFFFAOYSA-N 443.548 2.357 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1csnc1C(=O)OC 1309403003 OFPSNPSAGYHNPB-HNNXBMFYSA-N 438.527 2.281 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1313557586 HNZOPMRTHOAUQK-MRXNPFEDSA-N 426.521 2.211 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCC2)CC1 1313990630 JIQKQAIMVPQPEA-IBGZPJMESA-N 433.560 2.431 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1316527667 NOVBNCSKXYLXKH-JXXFODFXSA-N 442.486 2.318 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1358938218 UCXUMPDJBWPAQC-INIZCTEOSA-N 431.562 2.088 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1358956682 JKDXFSUGKRSROE-AEFFLSMTSA-N 431.562 2.260 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1 1359067421 MQSXPOWKSFPMNX-JOCHJYFZSA-N 426.517 2.496 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359080862 GUDMRNWWSADZEO-INIZCTEOSA-N 433.354 2.407 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359148061 CDTJPMKHJISJJK-UHFFFAOYSA-N 444.971 2.059 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(C)(C)C)nc1 1359281231 STBDOCFHVTUIPS-KRWDZBQOSA-N 428.537 2.489 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C(C)(C)C)s2)C1 1359310791 GVLJWVVADQNEQR-HNNXBMFYSA-N 445.593 2.493 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1360482337 AQDOTAXGNXHMSR-OAGGEKHMSA-N 429.529 2.079 30 10 IEEE Cn1c(=O)c2ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cc2n(C)c1=O 1439513759 ZWCNMHIJAPEGFC-INIZCTEOSA-N 443.504 2.153 30 10 IEEE CN1CC[C@@](Cc2ccccc2)(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1447623821 BPTSTHVEMHMFPF-PXDATVDWSA-N 430.508 2.261 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O 1459245245 VQWDLAJBZWKHSA-UHFFFAOYSA-N 438.381 2.031 30 10 IEEE C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1459548456 UONKETRBQQTZQO-YOEHRIQHSA-N 426.298 2.410 30 10 IEEE C#CCNC(=O)CN1CCN(Cc2cccc(OCC(F)(F)F)c2Br)CC1 1460156279 CCJMLAVMULNVQN-UHFFFAOYSA-N 448.283 2.257 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 1465367837 NHVZWNPCYSKHEN-GINDCMNVSA-N 445.589 2.499 30 10 IEEE C=C(C)[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccc(F)c(F)c1 1469853762 MWWOHMYYSYZHAR-KRWDZBQOSA-N 425.461 2.021 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)C2)nc1 1471983410 CEUMTVSWSCZWKT-AZUAARDMSA-N 439.541 2.209 30 10 IEEE CSc1ncc(I)c(N(C)CCCc2[nH]nc(N)c2C#N)n1 1472645463 YWZWTSOFAJQYNA-UHFFFAOYSA-N 429.291 2.049 30 10 IEEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C)CC1 1477461981 XHJCGVKDYKZQAA-UHFFFAOYSA-N 432.590 2.100 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493244662 LXECQHFEEKDZMX-JOFJOYRISA-N 428.537 2.181 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1504821879 GXSMDOZZOFEKNV-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2nsnc2c1 1504965964 QHXWUFKFSPHEOH-ORAYPTAESA-N 431.497 2.497 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)C1 1505314690 IRLATVHPPLSXHU-YVEFUNNKSA-N 425.390 2.275 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1507522152 BCTCGYBTSDBLLV-UZUQRXQVSA-N 427.549 2.265 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507607899 CQHBQBJVYBHHHX-CYBMUJFWSA-N 425.917 2.089 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1507622208 GXIYHDSMUJCGHC-KRWDZBQOSA-N 449.577 2.380 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCOCC3)CCCCC2)CC1 1507716229 OQXSENNUAMWJDP-UHFFFAOYSA-N 428.625 2.366 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)nc2)n1 1507717824 ZJYCRBIBYQMDOL-NRFANRHFSA-N 449.559 2.407 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNC(=O)C2CCC2)CC1 1507718572 QIFQIQDGNMSZPM-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1507852543 BCVCWLFFUBHNMH-KBPBESRZSA-N 425.942 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](OC)C1 1508144208 RSRRJBFZBOSHJZ-LJQANCHMSA-N 434.562 2.382 30 10 IEEE CO[C@@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1517804163 VQZJRMAXNPVYFE-CVEARBPZSA-N 449.437 2.213 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1531937213 VFAPYIVYONUUSB-ZDUSSCGKSA-N 443.681 2.236 30 10 IEEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2=O)c1 1534878656 ZVUGWWMGSHLPHJ-NRFANRHFSA-N 431.496 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 1535830672 MJVWGUYFQAWWKA-MRXNPFEDSA-N 431.493 2.080 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539140521 OVQHFYJSEVZQSD-HSZRJFAPSA-N 444.580 2.072 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc2c[nH]nc2c1)[C@H]1CCS(=O)(=O)C1 1539202380 HOLZQZAPVDMANJ-SFHVURJKSA-N 426.546 2.147 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539212121 RZTYCAFWOBERCO-MRXNPFEDSA-N 432.546 2.005 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539223212 ZLSBRBJULJQDLR-QGZVFWFLSA-N 431.562 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1539370429 CCGCARRCCHCRAP-HZPDHXFCSA-N 425.505 2.031 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1539427349 BRZMCBIGFVWCKF-AUSIDOKSSA-N 430.597 2.299 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)O)CC1 1539429785 CWJASELIFZKYKG-SFHVURJKSA-N 427.549 2.343 30 10 IEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCc1cnccn1 1539511120 QRMNVHVCSUGEHT-UHFFFAOYSA-N 446.540 2.429 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1539513416 JHLUUOBNFPBUQI-SFHVURJKSA-N 427.578 2.017 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@H]2C1 1539778769 HGUCFPNNGLHWNO-CQSZACIVSA-N 441.761 2.319 30 10 IEEE CCc1ccc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1540108224 OOMJCTOLDSGIJS-UHFFFAOYSA-N 443.500 2.284 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1540885165 CRKAVPUYHSUVTH-XAEMIUIASA-N 444.532 2.284 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540913839 VBTBJAZWAIKZOW-LSDHHAIUSA-N 435.550 2.165 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1CCOCCS(C)(=O)=O 1541800755 GTWLPCUACSSVIT-AWEZNQCLSA-N 425.942 2.398 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOc1ccccc1 1541921964 ZVSCRRGLRLXKJB-MRXNPFEDSA-N 432.550 2.097 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c(Br)nc2n1CCOC2 1543119487 YQNNIXUIOOIOOZ-UHFFFAOYSA-N 432.322 2.251 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)c1 1543727847 JJLNZQQZLNWQSS-UHFFFAOYSA-N 438.505 2.290 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1547486714 ZZHIZFZZJDBVPC-XGIGFIBQSA-N 441.580 2.240 30 10 IEEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555466621 OLHLSUWUWSEHFR-HXUWFJFHSA-N 438.532 2.390 30 10 IEEE COCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1555526801 FXUCKANFKNZYJZ-UHFFFAOYSA-N 427.528 2.071 30 10 IEEE CCOC(=O)C1=C(CN(CCOC)Cc2ccc(C#N)cc2)NC(=O)N[C@H]1c1ccco1 1559522402 HBOVLPUHKLAAHX-NRFANRHFSA-N 438.484 2.471 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)CC1 1559980862 XIWCWVFPJOCREG-HXUWFJFHSA-N 433.597 2.153 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC 1562081184 MROVCRLODYWBBB-QGZVFWFLSA-N 436.578 2.213 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1564772236 WZHFYHNVBLOAQO-KGLIPLIRSA-N 434.345 2.353 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1587809085 YXEJHPQSWFYLPG-JXFKEZNVSA-N 429.496 2.312 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1587975208 RWIHZKKJVOYVBM-SFHVURJKSA-N 433.560 2.382 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCC(C)CC2)CC1 1588733414 RTSBCZMLPJGRQK-FQEVSTJZSA-N 443.640 2.072 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)c2ccccc2)CC1 1588768814 LHZUVQDEDJKBRM-UHFFFAOYSA-N 439.541 2.076 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(F)(F)F)cc2)CC1 1588864544 FSDOHFBJBBZXPV-UHFFFAOYSA-N 446.477 2.223 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCCCC2)CC1 1588871671 MHPZYWPTSKMYMH-UHFFFAOYSA-N 439.560 2.316 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1589663149 JASBWJDOFGRRCB-INIZCTEOSA-N 441.598 2.450 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1594839804 UOFDORXKUIHWPG-IRXDYDNUSA-N 427.553 2.435 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1595467116 QGTZZWQJMQNJSM-HSZRJFAPSA-N 438.532 2.066 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCOC1 1595516817 JVAUURVLFVTMSH-AWEZNQCLSA-N 434.338 2.483 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595905016 AKBJGGTWUBJAPU-FAJBIJEISA-N 435.594 2.169 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CC3)n[nH]2)c1 1596618854 GRLRMZQDKPLGPH-BWAHOGKJSA-N 430.534 2.456 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1597052953 BQNCDXMWKBCBQQ-DOTOQJQBSA-N 428.485 2.440 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1610894616 LCYAJNLRVMDHRY-JOCHJYFZSA-N 428.537 2.362 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1611798429 SUGHWURRKFJTKJ-SFHVURJKSA-N 438.532 2.259 30 10 IEEE CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1613087540 SPAIUUALCXQCFI-IWQHBPENSA-N 443.573 2.085 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)c1OC 1616488619 RAGGALPUOIBZIR-SNVBAGLBSA-N 429.907 2.369 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1618460613 VJMGSRFKVJHKRX-PKOBYXMFSA-N 429.517 2.089 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)s1 1618657011 AVCCTZGMZYVPRG-KRWDZBQOSA-N 448.488 2.321 30 10 IEEE COCCO[C@]12CCC[C@@]1(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CCO2 1618702112 ZNJXVVOUICVPSP-NHCUHLMSSA-N 436.530 2.196 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1620001930 LQJSHTLYXJTMPM-IIBYNOLFSA-N 430.509 2.042 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1623983301 BFTLDLNSTUWDMP-AWEZNQCLSA-N 442.944 2.393 30 10 IEEE Cc1cccc(CS(=O)(=O)CCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1624812834 AGAYVRDKAPQFFQ-MSOLQXFVSA-N 435.546 2.175 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(Br)CC1 1625937505 HMIZDXTWPLKFGU-UHFFFAOYSA-N 428.352 2.329 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)c1 1627157037 KVBITGQJCGKEPB-QFIPXVFZSA-N 444.528 2.426 30 10 IEEE Cc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)sc(=O)n2C 1629005077 CYUDMXHQBRGUMP-UHFFFAOYSA-N 430.511 2.353 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(CNC(=O)OC(C)(C)C)COC3)n[nH]2)c1C 1629935498 HYBOSTNSBIGBEA-UHFFFAOYSA-N 430.509 2.100 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 1632328358 CFGMUOBRJURYFJ-UHFFFAOYSA-N 435.459 2.111 30 10 IEEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCCc1ccc(C#N)cc1)N2C(=O)OC(C)(C)C 1632775598 PPYUXOJKVYBIDX-CADBVGFASA-N 427.501 2.404 30 10 IEEE N#Cc1cn(CCNC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c(=O)nc1O 1633549882 CPKHKIQTLOIHDH-SFTDATJTSA-N 430.464 2.319 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1635904860 ZKUJDVUUQUMPRO-OAHLLOKOSA-N 435.974 2.095 30 10 IEEE Cn1nccc1C1(O)CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1636531447 YNGIQFZXICAOKW-UHFFFAOYSA-N 447.520 2.366 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)C1 1644149531 HOSICRDKVADJRH-AZUAARDMSA-N 447.377 2.251 30 10 IEEE Cn1c(NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(C#N)c(=O)n(C)c1=O 1652128695 LNZMTFRXHKPJMB-AWEZNQCLSA-N 425.489 2.297 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1653846591 HRIUFLYILSDFQW-UHFFFAOYSA-N 441.553 2.402 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)nn1 1656352956 MZLLYAZZRZKJKX-FQEVSTJZSA-N 447.561 2.465 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)c1 1661414211 OTELOCGOPHOMFO-RTWAWAEBSA-N 445.493 2.443 30 10 IEEE CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1cc(Br)ccc1C#N 1662547199 AXAMAERADMEYHN-UHFFFAOYSA-N 426.336 2.342 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 1669191213 ZJAOODADFLQTER-QHCPKHFHSA-N 437.565 2.165 30 10 IEEE CC(C)(C)c1cc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)n(-c2ccc(F)cc2)n1 1673212605 CUOBRNYUSDUPAR-UHFFFAOYSA-N 439.451 2.265 30 10 IEEE C=CCn1cc2ccc(NC(=O)N(C)CCOc3ccc(S(N)(=O)=O)cc3)cc2n1 1674576891 QEYLNPBLTJABRJ-UHFFFAOYSA-N 429.502 2.412 30 10 IEEE C=CCN(C(=O)Nc1ccc(C#N)cc1I)[C@@H]1CCS(=O)(=O)C1 1674846310 XUZPEBULAUJDJV-GFCCVEGCSA-N 445.282 2.370 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 1684365751 GRBFCUXJDQKKGK-UHFFFAOYSA-N 448.527 2.274 30 10 IEEE N#C[C@@]12CN(C(=O)NCc3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1684374214 SCHXYSGFCSGLGT-UGKGYDQZSA-N 425.510 2.345 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689923106 LDKMUDNEEDQRSJ-KNQAVFIVSA-N 437.592 2.076 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)C(C)(C)C 1689949121 QRHRSDVBAKGXMX-UHFFFAOYSA-N 442.383 2.329 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC=C 1690064036 XYHBQGKSPUBEDB-UHFFFAOYSA-N 432.322 2.478 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(F)(F)F)C1 1690170256 CVDRBDDICUBTGM-AWEZNQCLSA-N 443.451 2.140 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690511100 POFRVEBXFDHYFQ-KRWDZBQOSA-N 446.577 2.336 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1693300143 VKCASYOZMRFLCM-UHFFFAOYSA-N 434.504 2.059 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1705567274 VGXGFMYNTRVTKB-CQSZACIVSA-N 429.384 2.402 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2nccs2)CC1 1705643134 SXHGLYMEMRFJGI-UHFFFAOYSA-N 438.557 2.320 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705664236 KYBBMSDAXXEZOQ-LJQANCHMSA-N 443.621 2.247 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1705838018 YEWSPMDKDUGJRU-UHFFFAOYSA-N 446.396 2.427 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1705876334 VGRVSIMEWDYYRS-INIZCTEOSA-N 427.546 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1705932352 CDXGBOARPYPRAS-LJQANCHMSA-N 445.589 2.229 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1705946953 VQLCQYADTVEJRM-SJORKVTESA-N 443.639 2.157 30 10 IEEE CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706414788 BRQAWANXWXGFNH-QZQOTICOSA-N 442.564 2.400 30 10 IEEE CC(C)OCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706708036 HNCKKZAKLZDFCU-SFHVURJKSA-N 447.547 2.066 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CCOC1 1710427428 BUYYJGAHEHJQLJ-HSZRJFAPSA-N 440.548 2.210 30 10 IEEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1711898325 LUUNPUWYQSUVMR-AYAKEVCGSA-N 435.488 2.218 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC[C@@H]1C 1712090613 YFLWYPKBWJEYMN-FXAWDEMLSA-N 440.548 2.458 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O 1712453897 COEJTGNFCKBGBG-LJQANCHMSA-N 449.552 2.342 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1712579164 WWQPKUIPPKSHAN-WOJBJXKFSA-N 441.532 2.283 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2CCOCCCO)cc1 1712880241 BXPQWJNMDAFLLW-CTNGQTDRSA-N 441.532 2.133 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1722295283 SHGQHTBRCSUBMQ-DLBZAZTESA-N 428.541 2.142 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1722361066 CWGYICPBUMFZJQ-SFHVURJKSA-N 436.516 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1722427205 LCAKVTHGCJITGZ-FYYLOGMGSA-N 426.565 2.431 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2scnc2C)CC1 1722447849 NUACRTFCQLBWFS-GOSISDBHSA-N 442.589 2.493 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1C(C)(C)C 1722502208 RSEDMAYJRYKUSZ-ULQDDVLXSA-N 425.599 2.075 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722626632 FQAINRYSJVAMRU-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722693959 GQOLLGNOPSTTOJ-UHFFFAOYSA-N 434.500 2.310 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722694025 IZIKDRZBEITOLD-CYBMUJFWSA-N 426.443 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1722695680 LZXKTSFYDRXRAM-UHFFFAOYSA-N 444.845 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1722730551 WBJISOLTEJTMSK-UHFFFAOYSA-N 447.609 2.120 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722740266 MTZUJJSEEORAME-MRXNPFEDSA-N 436.582 2.063 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 1723769478 LIHOUEALLFCMRL-CYBMUJFWSA-N 432.330 2.466 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1724011165 WZGOWZVXLMTNOH-KRWDZBQOSA-N 448.618 2.342 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1(C)C 1728927338 IRFMTSXRYUOEOX-FHLIZLRMSA-N 447.561 2.333 30 10 IEEE CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1CC 1729170011 CEAJFONABVZSDT-ROUUACIJSA-N 428.537 2.232 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)CCNS(C)(=O)=O 1740588187 LAPVWGCNJDWEAL-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740595096 LVLJFWGVBGCLLU-NRFANRHFSA-N 436.564 2.272 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1740618466 IEPNKJRWWSCIMV-FRQCXROJSA-N 448.520 2.120 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC(F)(F)F 1740659736 RNYMMVPDTHPWSO-NVXWUHKLSA-N 439.482 2.338 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@H]1C 1740659812 UQPHVHBFRCVGGC-NJDAHSKKSA-N 427.593 2.380 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1740663638 OCXWWZZYEFTLAI-XMMPIXPASA-N 439.560 2.275 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1740671745 NQFOKBJVEYNGDP-PMACEKPBSA-N 429.590 2.251 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1CCO[C@H](C)C1 1740684259 LVPLJRLLYYIOAQ-IAGOWNOFSA-N 429.521 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccncc2)CC1 1740707067 NKJPVIDZUHWDNG-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740809355 GAPQJDZPSMRUIL-MRXNPFEDSA-N 431.928 2.093 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)C1 1740979320 CXCPJNHNPNVUPB-CHPDAQJUSA-N 438.594 2.167 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1741003451 VEHJBUPIGIPJLS-RBUKOAKNSA-N 432.594 2.420 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1742905984 FMTCBSJIXBTNBL-ZDUSSCGKSA-N 426.431 2.124 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1748697090 CQUCRYVTUMECIJ-GOSISDBHSA-N 435.532 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(OC)nc1 1748831332 LDLXZXDCDAVBGC-UHFFFAOYSA-N 447.495 2.496 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC(F)F 1748841936 BXMNUKVFKDJOHG-UHFFFAOYSA-N 440.454 2.377 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC(C)(C)C1 1748859617 XFIIGKDFBBUYLZ-WOJBJXKFSA-N 427.593 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCC1 1748881115 CEUIRFAUIGIBFT-UHFFFAOYSA-N 439.585 2.296 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C(F)(F)F)CC1 1748971187 GNYHFTXGNPAZIV-UHFFFAOYSA-N 434.466 2.239 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2cccc(C)c2)CC1 1748979050 UFRVUFLFBHTSBZ-DEOSSOPVSA-N 439.560 2.073 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749754634 PQTCFHMADHFETM-KRWDZBQOSA-N 445.593 2.075 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCOC1 1760106104 YBHOBXGKDGFQJN-ORAYPTAESA-N 435.322 2.326 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)OCC)CC1 1760261369 KQXLBWQXHGROLR-FQEVSTJZSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C)c2)CC1 1760273103 IFNVGQZITOTDNM-OAQYLSRUSA-N 437.544 2.483 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@@]1(OC(C)C)CCOC1 1760327833 MOTYCKRXDOYAFK-QPXQOZNCSA-N 449.596 2.118 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCN(C(C)=O)CC1 1760457260 LGZUYBJAEXJPMH-UHFFFAOYSA-N 434.491 2.333 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760527589 BMMNNTDSLWCCLW-PMACEKPBSA-N 441.532 2.316 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1760546560 QRAZZHRSMLGNBD-IRLDBZIGSA-N 439.608 2.071 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1760560140 YVXHLOWYKYYZET-MRXNPFEDSA-N 444.609 2.257 30 10 IEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1765464072 NREJRZWBFZGFJZ-HSZRJFAPSA-N 438.532 2.091 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)C1=O 1769053919 HSFUGVYMCFRZPR-DHIUTWEWSA-N 433.516 2.337 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1769124485 DWQQEMUPCXDRNG-RTBURBONSA-N 440.548 2.219 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)SC 1770044872 SYNDNSIGNUWQAX-SJORKVTESA-N 445.593 2.347 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1771238650 LCBGQTQCEWWWQI-LAUBAEHRSA-N 430.484 2.430 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(S(C)(=O)=O)cc1 1771278389 BICDOQHZROJWKO-AYBZRNKSSA-N 447.561 2.192 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCN(C)C1=O 1848750632 NRNSHHSJEOROGO-KGLIPLIRSA-N 445.994 2.190 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOCC(=O)c3ccc(C#N)cc3)CC2)cc1 1851361593 TULYOSYBVOGRIQ-UHFFFAOYSA-N 427.526 2.073 30 10 IEEE Cc1cc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)ccc1F 1852908381 VYTMQDJOPJWTEZ-UHFFFAOYSA-N 449.490 2.269 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)C(=O)C12CCCC2 1854429803 YZSNLYYSPXOSHP-UHFFFAOYSA-N 425.510 2.219 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cn(C)nc1C 1856996376 YFUIIEFVCYVOLV-INIZCTEOSA-N 428.514 2.187 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(CCC)nn2C 1864320233 NMMDTTMIVSIXPI-SFHVURJKSA-N 426.517 2.395 30 10 IEEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870349241 GBWDABZNFWMBHP-SFHVURJKSA-N 439.512 2.019 30 10 IEEE O=C(NCC#CCN1CCCCCC1)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889031338 XVMXELBCCTZHAR-FGZHOGPDSA-N 426.586 2.225 30 10 IEEE C=CCN(CCC(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1987542825 OLTLNXJLNINWRC-CVEARBPZSA-N 427.542 2.286 30 10 IEEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060634266 XMAKAFVMPPDSQF-HNNXBMFYSA-N 434.342 2.489 30 10 IEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255369150 VMGJTCGAGJSHFL-HOTGVXAUSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255699769 RZRAMGQLCNBFDW-OYHNWAKOSA-N 429.326 2.120 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255701459 RLIGNJFYLLMSET-SCAQPMJSSA-N 431.342 2.251 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917435 VNFDLBUSPHGUNT-WMLDXEAASA-N 429.278 2.367 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 2267131257 ZAIYEMUIAAYWEZ-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267263928 LKWVFNGNGTVTNX-HOTGVXAUSA-N 443.353 2.318 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@]34CC[C@@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2267520157 LLLOHRYSUDNTBB-KOSHJBKYSA-N 436.365 2.351 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2267548580 HAOBHICRKJSONN-GJZGRUSLSA-N 446.357 2.197 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCC3(CC2)OCCO3)OC1(C)C 2282866677 NHZQZQXUWNVHSQ-AWEZNQCLSA-N 443.396 2.401 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2306363887 IJMBWGAZKCQRMO-FHJLPGHOSA-N 428.533 2.407 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2319266152 JEXBDAAJWUUBSR-HNNXBMFYSA-N 427.310 2.143 30 10 IEEE CCOc1cc(C=Nn2c(C)nnc2SCCO)ccc1OCC(=O)N(CC)CC 2321198876 JLLUTGMEKIUZTL-UHFFFAOYSA-N 435.550 2.199 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(O)cc1O 2329282782 RWOIJHALQWCYNQ-UHFFFAOYSA-N 428.470 2.436 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345713880 OXNWOEYOVJMENV-DLBZAZTESA-N 449.332 2.344 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)c1 28998260 YEJKBNIQQGKLSO-SFHVURJKSA-N 427.526 2.476 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 29008671 GXJIWJONUUFRGL-CQSZACIVSA-N 435.452 2.137 30 10 IEEE COC(=O)C[C@H]1C[C@@H](COc2ccc(-c3ccc(/C(N)=N\C(=O)OC)cc3)cc2)NC1=O 147458472 PGCFXITVMNNKON-MSOLQXFVSA-N 439.468 2.272 30 10 IEEE C=CCN1C(=O)C(=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c2ccccc21 254644394 JGIKIMREPVGMJT-UHFFFAOYSA-N 446.488 2.286 30 10 IEEE O=C1COc2ccc(S(=O)(=O)N3CCN(CC#Cc4ccc(Cl)cc4)CC3)cc2N1 427018363 YETBSHDYUUZHKT-UHFFFAOYSA-N 445.928 2.029 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 433552385 CSKVQOYTYUSQAI-PGRDOPGGSA-N 447.491 2.485 30 10 IEEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCOC[C@H](C)C1 460562058 AWSKGKNARASIQR-HXUWFJFHSA-N 438.576 2.285 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 460934054 YVSRQFXIAYMELR-PKOBYXMFSA-N 444.605 2.444 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 461295933 RSQIQXKOLZTHHC-UHFFFAOYSA-N 436.497 2.178 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ncccc2C(=O)N2CCCCC2)CC1 462919243 JKEXBUWEPLBFDK-UHFFFAOYSA-N 439.541 2.090 30 10 IEEE N#CC1(NC(=O)c2nc3ncc(Br)cn3n2)CCN(Cc2ccccc2)CC1 479313301 UOWIMFGFAHSIPN-UHFFFAOYSA-N 440.305 2.175 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N2CCC(C)(C#N)CC2)c(=O)n(-c2ccccc2)n1C 507827399 GHXASJBWEGIXSV-UHFFFAOYSA-N 441.557 2.308 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)c2)CC1 515932681 RQIALLQDAGFPJA-UHFFFAOYSA-N 432.933 2.329 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 519193616 NJLFRJQVQYVPTH-SFHVURJKSA-N 432.480 2.397 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553236741 AKTKJPMWKZOZNV-MRXNPFEDSA-N 428.489 2.021 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 568449410 DEUHQMJNHPFKQX-QAPCUYQASA-N 435.550 2.003 30 10 IEEE N#Cc1ccc(C(=O)NCC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 608891233 MUDVPBWEASXVTR-UHFFFAOYSA-N 439.273 2.152 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 725726664 UAXMBZVUSLCONF-WEVVVXLNSA-N 428.489 2.431 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@@H]1CCCO1 726178803 BAFDOUYLHJYEKT-HNNXBMFYSA-N 431.583 2.362 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)OCc2cc(Cl)ccc2OCC#N)c1=O 735339872 QOBNAMZUWOPAOE-UHFFFAOYSA-N 427.844 2.482 30 10 IEEE CC(C)(C)OC(=O)CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 741955105 QQLTYVSXBFCGLQ-UHFFFAOYSA-N 429.498 2.100 30 10 IEEE C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746102539 AZFUUSFWVYVKCS-WGLILOHCSA-N 439.541 2.418 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 747243444 SNTJJGCSYRWCAH-WTKPLQERSA-N 442.497 2.121 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC34CCN(C)CC4)nnc12 747977975 AILQSXIGFWAGET-UHFFFAOYSA-N 438.557 2.019 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cc(Br)cn2)nn1 750421237 JFSOMDZPUKQWLY-GTNSWQLSSA-N 435.282 2.025 30 10 IEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 758640433 VKMHKBOEVMZSHN-QGZVFWFLSA-N 447.582 2.338 30 10 IEEE C#CCN(C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCS(=O)(=O)C1 774195261 GLYORGHMNMBCNJ-INIZCTEOSA-N 440.447 2.223 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cc1 777899605 UCNSXDMVUHXQPO-QHCPKHFHSA-N 425.554 2.383 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 788815619 RHTKMHYPKHKHIP-MRXNPFEDSA-N 444.919 2.206 30 10 IEEE CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 794115953 HBNWFONYLKMLPL-UHFFFAOYSA-N 429.502 2.297 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cnn(C)n2)C1=O 807928193 IKPPFMNXAYYLFB-ZDUSSCGKSA-N 426.424 2.102 30 10 IEEE CC(C)(C)C(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 814488662 RTHHHMYCLVPESF-UHFFFAOYSA-N 435.546 2.007 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccccc1 1084379277 MIMRAYSMYFADRJ-UHFFFAOYSA-N 426.462 2.467 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccc3OC)CC2)s1 1136596906 AAGPAODZBPTTRB-UHFFFAOYSA-N 449.598 2.108 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1nn(C)cc1I 1228261221 FIDVISDCQFSSSB-UHFFFAOYSA-N 444.273 2.398 30 10 IEEE Cn1nccc1[C@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCO1 1251142811 BXECLJAMUCYTCY-HRAATJIYSA-N 448.531 2.212 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)COC1 1286424109 YUIAHWYRDLWXAN-UHFFFAOYSA-N 440.573 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CCC1(O)CCOCC1 1286432231 BQLYVVYBZSMUPM-UHFFFAOYSA-N 436.556 2.466 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1286491224 JGBBTBGMUDMPSY-FQEVSTJZSA-N 426.540 2.248 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286512264 UHIJYUPWUSQDCT-DLBZAZTESA-N 445.614 2.499 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1286712483 ZYHKHMFNPACICL-QGZVFWFLSA-N 434.537 2.475 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(C)cn1 1286742600 QUTWNRHIVMPABU-HXUWFJFHSA-N 430.516 2.499 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286792039 KVFLOKIEYBTGNW-UXHICEINSA-N 438.576 2.449 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nnn(C)n2)C1 1286800339 JTEJKYLBGICCKS-ROUUACIJSA-N 438.536 2.388 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 1293033403 XWHDLBGVRORRJR-VLGSPTGOSA-N 435.362 2.232 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1295650856 BGGCDWZCWKDQAG-UHFFFAOYSA-N 434.504 2.419 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)CCO1 1299133024 CPDNBRNCZBMTQA-QGZVFWFLSA-N 426.546 2.054 30 10 IEEE COc1ccc(COCCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1300232572 ZGAASAYXWHDGFD-IBGZPJMESA-N 435.488 2.079 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300314265 CXBXMZCAHSTGBY-AEFFLSMTSA-N 436.482 2.375 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1300340333 XKJZKCNMJQRUDO-IPMKNSEASA-N 437.610 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300725865 LAOMGDSAUBXRHZ-NHCUHLMSSA-N 444.624 2.114 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300754103 IFAGFGXNGSBBEV-KRWDZBQOSA-N 440.573 2.360 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300843186 DARIXJKGZJRFAW-PBHICJAKSA-N 445.383 2.443 30 10 IEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCOCC1 1300843539 CQUHYHOJZFNEPG-UHFFFAOYSA-N 445.321 2.327 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1300989510 CLJBNZADGFNBKV-XLIONFOSSA-N 441.532 2.475 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2C2OCCO2)CC1 1301065169 APAMUWHTAWSURU-MRXNPFEDSA-N 447.561 2.138 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C)C1CC1 1301323799 VYWYNZIROOSOKP-UHFFFAOYSA-N 435.532 2.262 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1301999266 DXEHKFMSSYDHFH-UYAOXDASSA-N 434.585 2.099 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1302322504 SRPDMXDVORGGLI-YFWNDERMSA-N 440.573 2.079 30 10 IEEE CC(C)[C@H]1CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1302746758 VTAXANSLNMXPDI-UGNPLGLKSA-N 435.532 2.415 30 10 IEEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC2(C)C)CC1 1303319778 USWNMULPVCRYHQ-IBGZPJMESA-N 449.559 2.036 30 10 IEEE CC/C=C\Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1306482270 UWFDFVJBSMMSOB-ORUDLHBZSA-N 440.573 2.345 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 1309087702 LAFASCKJZNTYQC-KRWDZBQOSA-N 446.554 2.093 30 10 IEEE Cn1cc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)cn1 1314897923 BCVDICGZMQJWAC-LJQANCHMSA-N 439.545 2.326 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nnc2n1CCCCC2 1316173127 WULPCXRZBLZDMQ-QGZVFWFLSA-N 442.568 2.498 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCn2cc(CO)nn2)c1 1316529881 RFRKIVMVUCNFHB-KRWDZBQOSA-N 442.474 2.472 30 10 IEEE CC(C)c1nnc2n1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)[C@@H]2C 1352119632 DFFNJUWARFVDEF-RHSMWYFYSA-N 435.488 2.082 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358955213 HHWWPEHIZFNBCU-ZCNNSNEGSA-N 435.638 2.396 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1358965481 WDLFOYPVLDVAJC-SFHVURJKSA-N 433.603 2.032 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCOC1CCOCC1 1358980860 MWGWHMQXLBNHDD-UHFFFAOYSA-N 432.528 2.175 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(C)c1 1358999463 RVAOSGLVNBNQJM-VXKWHMMOSA-N 449.555 2.203 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1359035756 DATQXVDVOQVHGK-KRWDZBQOSA-N 435.450 2.484 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359332771 GXCAZAFOUDZHPH-JXFKEZNVSA-N 426.583 2.024 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1359440833 NINXYWCRIWLDSN-UHFFFAOYSA-N 432.475 2.451 30 10 IEEE CC(C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359603881 HDLVWZPEAZBSEQ-MRXNPFEDSA-N 428.512 2.280 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCCOC1 1438117025 ZXDJFVFDKGORFW-IERDGZPVSA-N 425.526 2.440 30 10 IEEE N#CCCN(Cc1cccnc1)C(=O)Cn1nc(Br)c(Br)n1 1442355609 VBZXEAHPEPSVHB-UHFFFAOYSA-N 428.088 2.141 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CC1 1445692356 QZBWJXJTLKHGNM-UHFFFAOYSA-N 442.317 2.322 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1COC 1457039173 FUMXOPVGULRYOH-IRXDYDNUSA-N 439.553 2.387 30 10 IEEE C[C@@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(C)(=O)=O)cc1 1458004553 VVVUIKKISATOFR-CQSZACIVSA-N 430.482 2.098 30 10 IEEE C#CC[C@@H]1CCN(CC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)C1 1460755812 DKCYFQFFGWDELV-GOSISDBHSA-N 437.544 2.210 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nnc(-c3ccccc3)o2)s1 1465998111 PCYYKVYKUPEBKX-UHFFFAOYSA-N 432.527 2.164 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)CC2)c1C#N 1466921595 KVDXIZPKNPKXFO-KRWDZBQOSA-N 430.553 2.142 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1)[C@H]1CCCO1 1469867848 LUGLFMSAZOXTMP-IMFGXOCKSA-N 433.936 2.450 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1501416412 KUPQRNWPZNHCKG-VQTJNVASSA-N 449.559 2.038 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c1 1504124815 LBZLXDYPHPSVPO-AWEZNQCLSA-N 436.472 2.177 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCOCC(F)F)cc1 1505317204 PEHAOHJTHHNEMI-WBVHZDCISA-N 430.459 2.061 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NC)c1 1507541135 FWYAWEARRNYQDW-OAHLLOKOSA-N 436.541 2.135 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507594980 LDSAPRKEPGOZKC-UHFFFAOYSA-N 445.589 2.439 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1507609619 BZFHSOPKOAMWIM-GOSISDBHSA-N 435.532 2.434 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1507634650 OOEMDEBVFOVEQH-FQEVSTJZSA-N 430.574 2.298 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(F)(F)F)cc1 1507657107 NSFKBENJXBUAOR-UHFFFAOYSA-N 445.445 2.463 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507799794 KWVSQZHPPSUOJY-TYPHKJRUSA-N 426.565 2.478 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507806423 AHGGOENUPUTBGZ-JBPLPALLSA-N 433.597 2.343 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507916169 LIWDINRRYKGGBA-QGZVFWFLSA-N 445.568 2.236 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1 1508040300 VXXKWLPHCNGIAK-MRXNPFEDSA-N 440.516 2.340 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1518941239 IUOTUECLBYVEJQ-IERDGZPVSA-N 448.483 2.482 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1539226278 WTKWDBHICWPQDV-SFHVURJKSA-N 427.574 2.230 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1539446656 HWLPZWABOHHUPT-CQSZACIVSA-N 440.495 2.255 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1539460156 YJZRYASWUZPKLE-UHFFFAOYSA-N 435.576 2.072 30 10 IEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NC)CC1 1539801781 IFSLLVOSZCSHDF-UHFFFAOYSA-N 444.971 2.167 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1540048369 UTXOWTUUZTYBKI-JKSUJKDBSA-N 436.557 2.176 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCN(C)C1 1540179911 DBILNMYGFHAYSZ-URXFXBBRSA-N 425.577 2.474 30 10 IEEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1540861403 PJRXCIIYKRAVFO-DEOSSOPVSA-N 439.560 2.316 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540865128 WNPVDHSLKJJMSQ-IBGZPJMESA-N 444.967 2.202 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540900686 DNMBPWMIZDCWNO-GOSISDBHSA-N 427.534 2.016 30 10 IEEE Cc1c(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@H](C)C#N)cnn1C 1542110242 FBQNJDLHPSVBAA-MRXNPFEDSA-N 434.552 2.138 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)c1ccc(F)c(S(=O)(=O)N3CCOCC3)c1)C2 1543572872 KILDDUPYYHDFDZ-UHFFFAOYSA-N 443.500 2.111 30 10 IEEE Cc1cnc2c(cnn2CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 1543681144 XMQKQXBZXNERGM-UHFFFAOYSA-N 432.463 2.267 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@@](C)(C#N)C1 1558602223 JINWHNKJHOBWLN-LREARKGRSA-N 449.507 2.416 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1563992797 LSBMVDMJKDUSPX-HNNXBMFYSA-N 446.470 2.194 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)C(=O)OC 1568154358 HEXWDDBBTSUYDW-GCJKJVERSA-N 434.492 2.471 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(Br)CC3)CC2)cc1 1570116300 VBZIYGKIWNELST-UHFFFAOYSA-N 426.336 2.003 30 10 IEEE CCOP(=O)(CN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)OCC 1570727039 HQHOMTQOKVGDER-MRXNPFEDSA-N 436.405 2.445 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)C1=O 1584302332 YOGBNQIEXZAUNW-MRXNPFEDSA-N 448.317 2.350 30 10 IEEE C#CCOc1ccc(C(=O)N2CCC(n3nncc3I)CC2)cc1 1584600581 OEOPYFDZQLBXHO-UHFFFAOYSA-N 436.253 2.372 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)n2)c1 1586513513 ZXNXDWOABVGAMW-RDTXWAMCSA-N 438.431 2.326 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1587561787 IOSVSMDGPRCBED-GJZGRUSLSA-N 425.468 2.226 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CCC)[C@H]1CCS(=O)(=O)C1 1588073924 GBJRFMFNKCHCJJ-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1 1588083364 FZGMWHIYZYIAPO-RBUKOAKNSA-N 425.508 2.351 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC)CC1 1588898799 CHKYFPUGLRNTBB-UHFFFAOYSA-N 449.353 2.038 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1589296375 RGGDWXLGKRCEIS-SOUVJXGZSA-N 433.347 2.151 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](N2CCCC2=O)C1 1589305478 RLDYEIFVJRTCBN-CABCVRRESA-N 442.358 2.112 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595577081 INIFRDGBLGMRLF-SFHVURJKSA-N 435.532 2.195 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)C(C)C)C1 1595698999 AFCAPWBQKDOKCE-KRWDZBQOSA-N 427.505 2.227 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(F)c2)C1 1595743446 APHDLGANCDGDRP-IBGZPJMESA-N 429.496 2.400 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595744604 NSQZTIWIFLJBBU-QUCCMNQESA-N 446.573 2.382 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1596721969 FKGWBIYMAMWFQQ-RTWAWAEBSA-N 438.532 2.495 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1617203762 JFHSERSRSKPCMZ-GOSISDBHSA-N 442.520 2.480 30 10 IEEE CN(C)C(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1617606847 BEJMQEOEIQIZQA-KRWDZBQOSA-N 439.264 2.377 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCOC(C)(C)C)C1=O 1618462358 KUTDKKIHVHHFTE-HSZRJFAPSA-N 440.548 2.458 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1619615107 WQZLJKGXZSGTIL-LJQANCHMSA-N 428.512 2.496 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nccn1C(F)F 1620100077 YECRYVYJUWFOPH-XAYKYTGQSA-N 425.415 2.084 30 10 IEEE C#CCOc1ccccc1NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1623835412 QUPHQDKRLTXIMD-HNNXBMFYSA-N 428.489 2.040 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 1625951490 DHHRXJKYCGEUDC-NRFANRHFSA-N 444.576 2.240 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 1626669573 VSPHRLCUNCXGJG-IBGZPJMESA-N 449.573 2.216 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1636913782 HXZFMXFVQAAOPO-RBUKOAKNSA-N 443.500 2.183 30 10 IEEE COc1cccc([C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2nccn2C)c1 1641561108 ZQPVXUBTSLLMMG-LJQANCHMSA-N 442.472 2.384 30 10 IEEE C[C@H]1Oc2ccccc2N(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1=O 1641855693 SLRBCTMSOSHAIG-OAHLLOKOSA-N 437.452 2.095 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)[C@H]1CCCc2ccccc21 1647738143 ZHTRFTJFDNDNQS-QFIPXVFZSA-N 426.538 2.452 30 10 IEEE CC(C)c1ncc(OCc2ccccc2)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 1648029104 XTBVNPHJKZQECJ-UHFFFAOYSA-N 446.467 2.010 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)Cc2cc3c(cc2Br)OCO3)n1 1663144571 LADRFBZIZURCTH-UHFFFAOYSA-N 440.319 2.359 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)CC1 1665158517 CFGKDARXAKQAHC-UHFFFAOYSA-N 447.307 2.213 30 10 IEEE C#C[C@@H](CCC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1674030615 HZHLCVRGEAYYII-GJZGRUSLSA-N 425.270 2.276 30 10 IEEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)O2)[C@@H]1C 1681515114 FRQKPGUAODTLID-NUKHCAJLSA-N 426.517 2.325 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)[C@H]1CCS(=O)(=O)C1 1683711530 JHIKYXAJWOZWMN-ZYSHUDEJSA-N 432.542 2.389 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1685583725 UZONUXMHMDATHS-INIZCTEOSA-N 426.452 2.047 30 10 IEEE COc1ccc(C[C@H](CO)CNC(=O)NCc2ccc(C#N)cn2)cc1Br 1686681053 FQRKSGXDKMALLL-HNNXBMFYSA-N 433.306 2.375 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)C1 1687592988 FQHKZWUIOYVYDQ-MAUKXSAKSA-N 426.330 2.136 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccco1 1689846246 HZIBURDLQRXFQO-VFNWGFHPSA-N 442.545 2.197 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1689946400 QPAKXENXJQFETB-SFHVURJKSA-N 445.589 2.015 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1689961223 PGIHGWYUJLREAN-UHFFFAOYSA-N 433.560 2.476 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](OC)C(F)(F)F 1689964505 PUJBJEXKEBWRCE-MRXNPFEDSA-N 437.470 2.489 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689979598 DNUUWNBORARWFR-MOPGFXCFSA-N 435.638 2.324 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689991851 DKHGVIZLNIBNAH-SFTDATJTSA-N 444.601 2.475 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(C)=O)CC1 1690188387 IMLUQDUUBBWJNY-HSZRJFAPSA-N 428.581 2.447 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1690206104 HQJZJFKWNSRMEI-TXTKFYIRSA-N 442.585 2.430 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1690254490 BTJDKWJBOQJRBZ-OAQYLSRUSA-N 436.626 2.027 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1 1690671104 OZRSOHTWRBRFBA-UXHICEINSA-N 425.533 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690696742 ICLKXLZAIRCIIC-UXHICEINSA-N 430.597 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1690720620 NUCUEIULNRYLCS-OAHLLOKOSA-N 436.509 2.074 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690723941 DWFFJGGITSGSBS-SJORKVTESA-N 426.583 2.167 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1691555071 CTZZHNUGXUOWGM-HSZRJFAPSA-N 432.532 2.340 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1696096982 CEVOQRCXMXZNRC-CVEARBPZSA-N 434.566 2.240 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696718713 DHPXGFOQEDASAJ-DXQAYGFFSA-N 428.518 2.006 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCCCN2CCCCC2)C1 1698486866 ULKOICSBYSTFRX-JOCHJYFZSA-N 431.560 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1705492223 NKNJIXMSBIXGQH-MDOVXXIYSA-N 434.587 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705493739 NGJBLSAAEFCEJI-TXTZMMAHSA-N 442.564 2.190 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1705495351 OPBUGYDGDFDEAB-GJYPPUQNSA-N 449.552 2.012 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705522818 NFUSJEBEPUNTIE-UHFFFAOYSA-N 436.560 2.491 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(N2CCCC2)CCOCC1 1705599633 SDYZBJKQAMJSRO-UHFFFAOYSA-N 432.572 2.372 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCC1(O)CCOCC1 1705619655 YFONEAOCAGSLTO-UHFFFAOYSA-N 443.523 2.127 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705662698 HOYUMRYODUJLDA-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C#CCSCCn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705664907 FIRRTEBGROWENK-OAQYLSRUSA-N 436.578 2.075 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705737651 WYLDLKBFIVWJFA-IRXDYDNUSA-N 432.525 2.459 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1705834619 OVGKSZRXYMNXGH-GFCCVEGCSA-N 431.921 2.382 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705906218 XCTHERIFJDRKGZ-JOCHJYFZSA-N 441.532 2.470 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705909415 WWPQRRWGCTVNSR-SCTDSRPQSA-N 435.569 2.088 30 10 IEEE CC(C)CSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1706539236 IROSWAYMXVPJBO-YJBOKZPZSA-N 428.628 2.408 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1706553268 AVGSPGSOXZPCCF-LJQANCHMSA-N 430.578 2.170 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1707803022 FBEIYMGKIISJFT-NHCUHLMSSA-N 431.516 2.159 30 10 IEEE CC/C=C\Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C#N)C1 1709381731 FETXNZRSALECNE-YIEVGGLXSA-N 429.550 2.242 30 10 IEEE CCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1710575004 DSEXUZVPYRHYLL-GOSISDBHSA-N 444.561 2.152 30 10 IEEE CCOCc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1Cc1ccc(C#N)o1 1710755448 WMXUVPQJUOZCCS-UHFFFAOYSA-N 433.534 2.265 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCCOC1 1712442954 OHIXJKONULJLRT-FQEVSTJZSA-N 436.516 2.101 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(OC)c1 1712560763 AIDNCLLLZKPYNQ-YLJYHZDGSA-N 440.548 2.236 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722312993 MNMZUHGGIJKABW-UHFFFAOYSA-N 448.531 2.201 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1C 1722354277 CJQXTRBQLMJZRU-SQNIBIBYSA-N 433.553 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CSCCS1 1722426047 WBXHPPFHQJJAFJ-GOSISDBHSA-N 442.614 2.451 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1722443234 FFWYEBMDLFYOAN-UHFFFAOYSA-N 446.555 2.478 30 10 IEEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722537406 AGCBDHJPOFAEOX-NFBKMPQASA-N 444.580 2.088 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722628755 ZSIFNDKAANXXNB-HXUWFJFHSA-N 430.597 2.271 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(Br)s1 1722685134 RKKDFNNYHJNZKM-LBPRGKRZSA-N 426.340 2.238 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(F)c2)C1 1722708654 AUVXHPRAPCSODR-QGZVFWFLSA-N 429.496 2.491 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1722968748 GXNDBNARFKAVSZ-JOCHJYFZSA-N 442.495 2.463 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)CC#N)ncn1 1729736474 OSPKYULQJKNVRR-BRWVUGGUSA-N 425.541 2.369 30 10 IEEE COCCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730706323 HDHCJFKBCBWVPE-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2ccccc21 1740645821 LXFHCUBWBFOGMP-PKOBYXMFSA-N 425.558 2.081 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C)N(CC)CC)CC1 1740696472 VFZOVKBBBAUJIB-SIKLNZKXSA-N 438.576 2.276 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740861348 JVWMVLVBCYYSSS-KRWDZBQOSA-N 430.520 2.468 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)OC 1743539508 ABLPHBGFACRJGT-VQIMIIECSA-N 447.561 2.025 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1746646044 CBCGNYAXSWNZTM-JTSKRJEESA-N 432.569 2.317 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1747275558 HZTKYQOTADFXAC-SLNYWTKHSA-N 436.516 2.334 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)C(F)(F)F 1748400965 HEXCZDIDBCQGQT-KRWDZBQOSA-N 436.438 2.453 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1748664243 FGYDZBJVHTYABA-PGRDOPGGSA-N 426.590 2.314 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1748730026 CCYVAEWKHQEHRY-AZUAARDMSA-N 430.597 2.157 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OCCC)nc1 1748784129 CBLVNQLXHCEOAU-UHFFFAOYSA-N 443.511 2.494 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748817245 HLYKUDZTFDUEQB-LJQANCHMSA-N 428.558 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1748825462 ZLCCMRGTPHVOCH-NRFANRHFSA-N 445.445 2.037 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1748971660 YKSHQDKKIIKBJF-OALUTQOASA-N 430.597 2.157 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749447365 DCDRPDDRWXKLRV-UHFFFAOYSA-N 436.516 2.203 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCCO)C1 1749704958 DALVIMWZWAVAQZ-QGZVFWFLSA-N 438.532 2.136 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749749074 GLCYXZJEQPWYKG-IBGZPJMESA-N 431.562 2.214 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1760108401 XRAGLODMUOUHAU-MRXNPFEDSA-N 427.530 2.012 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC[S@@](=O)CC)c1 1760125826 MLFCETSWYZZJRE-HKBQPEDESA-N 436.541 2.165 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760132629 LMTIYZPYIGLCST-QZTJIDSGSA-N 444.513 2.266 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1760234105 TYJOELIVUXHITP-IAGOWNOFSA-N 432.546 2.116 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC 1760280521 GFNOMMKWDBTDAI-SFHVURJKSA-N 448.614 2.234 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1760316110 MJQRJXFORJOKBM-SQNIBIBYSA-N 425.599 2.245 30 10 IEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1760448486 DYXNPKOWEUSUBF-UHFFFAOYSA-N 428.537 2.398 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760451181 BIGPKXAPSCIEFV-PMACEKPBSA-N 432.613 2.060 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760522083 LRDTVOYTIXKODL-ROUUACIJSA-N 441.507 2.323 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)COC)C1 1760544694 FLNSNQVFYFSWLG-SJORKVTESA-N 448.593 2.302 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760804589 HJODHPVMJAOOCQ-JPZYQRIQSA-N 440.573 2.223 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)CN2CCOCC2)CCOC1 1761437653 PHMBWEUFJMQPMW-KNKQGSTJSA-N 434.585 2.025 30 10 IEEE Cc1ccc(OCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1761844642 KZAKNRFCBQWDRQ-LJQANCHMSA-N 447.499 2.432 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1764678771 JGULVLOARKAOJV-HXUWFJFHSA-N 444.540 2.429 30 10 IEEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1764971047 DAOVKYLLSDUSHD-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(F)cc2C)CCOC1 1767481432 CEBRTCKRUAJOSV-UGKGYDQZSA-N 429.496 2.349 30 10 IEEE Cn1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=C(C(C)(C)C)CC2)n1 1767534630 SJJZYERVEQEIQD-UHFFFAOYSA-N 433.520 2.483 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCOC1 1768659567 FIFLHIASALNPFW-PMACEKPBSA-N 438.532 2.180 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1768986431 AAIAYJAFYAOCOF-UHFFFAOYSA-N 430.534 2.163 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1770017262 NRRJHVRVKSOLQS-APWZRJJASA-N 439.582 2.099 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1770932876 BYASNRBMHHAKGT-UHFFFAOYSA-N 438.532 2.118 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@@H]1OC 1771110069 KTTYXJYSDGFZGH-IRXDYDNUSA-N 434.928 2.411 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1771470667 OHOFDAMRRUHZNH-QGZVFWFLSA-N 441.561 2.086 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 1848666388 ACKMYQJMYOMPLV-GOSISDBHSA-N 426.492 2.179 30 10 IEEE Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N4CCCc5nc(C#N)ccc54)ncn3n2)c1 1852705531 FQIRZRPDPZZDPY-UHFFFAOYSA-N 439.479 2.421 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2CCCO2)c2ccccc21 1854251396 PSGVNHDLUGTDNB-SFHVURJKSA-N 425.466 2.196 30 10 IEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1 1858661100 AZBUJMGQRWSEKM-UHFFFAOYSA-N 428.514 2.013 30 10 IEEE CCCCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cccn(CCC)c1=O 1861284711 PZSPVRZBVSHDJN-LJQANCHMSA-N 434.581 2.489 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862573874 CFAIBMJNEGULHF-FKIZINRSSA-N 443.452 2.377 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 1862574540 LTWIGYQOYCGILJ-GOSISDBHSA-N 428.397 2.183 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(OC)c1 1862630201 OQZFVXAUSWWGSZ-LJQANCHMSA-N 427.409 2.354 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862693226 ZVIILPOGRVYGBC-FQEVSTJZSA-N 425.437 2.427 30 10 IEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870109171 LPMMVHZYQIBJSI-SFHVURJKSA-N 430.468 2.194 30 10 IEEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN(CCO)CCO 1870452222 FVNMJHQZFPKDBC-UHFFFAOYSA-N 440.581 2.327 30 10 IEEE COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3C#N)C2=O)cc1OC 1873869054 CKZSTIBZVRSSLW-SFHVURJKSA-N 436.468 2.457 30 10 IEEE C=CCn1c(NN=CC(Br)=Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 2040496415 PTXBFMRCYXDVBY-UHFFFAOYSA-N 443.305 2.453 30 10 IEEE Cn1cc(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c(=NC(=O)OC(C)(C)C)[nH]1 2060633758 RDXDSVCSANUWCD-NHAGDIPZSA-N 432.330 2.353 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CC(O)C1 2067743645 SFPGEODTMICZDD-ABNIXYTCSA-N 436.358 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]2C[C@H]21 2124541387 SBBBRXGVRJXTGF-DZKLMBRESA-N 444.341 2.408 30 10 IEEE C=CCn1ncc(NC2(COC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2134107312 NUBPNKOFPDBAKW-UHFFFAOYSA-N 429.315 2.240 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2224094339 RMRHXCDRPBQZIY-OIISXLGYSA-N 431.342 2.109 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243389303 IEPMGJRIGNAXPX-RYUDHWBXSA-N 425.360 2.474 30 10 IEEE CC(C)CN(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248434172 UZZSGYXQYBTBBZ-UHFFFAOYSA-N 440.375 2.091 30 10 IEEE CN1CCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C[C@@H]1C#N 2248510938 SLNQZGMDQLIKNJ-IBGZPJMESA-N 428.533 2.106 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)s2)OC1(C)C 2249484470 OVDDUDSSLWHTLW-UHFFFAOYSA-N 432.273 2.330 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)N3C[C@@H]4[C@H](C3)[C@@H]4B3OC(C)(C)C(C)(C)O3)(C1)C2 2254729813 MWTFDRDYTYKCHG-SFBPSWSYSA-N 434.342 2.363 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630728 OEMBXJUFAHAHNV-LSDHHAIUSA-N 434.346 2.275 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638553 KZUYTSXTPGCMNV-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825768 FNHMUOAAUPNJLW-CQSZACIVSA-N 434.346 2.180 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C 2255830988 OIIRJEPCGBHNCS-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(C)(C)CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2255858949 VIHNGQMUSNQBJT-UHFFFAOYSA-N 435.374 2.069 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255862865 JWCWZTZSXZGDOY-JYJNAYRXSA-N 436.358 2.442 30 10 IEEE Cn1ncc(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267015281 LVACZRYPNCKEDF-IBGZPJMESA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267090134 JYESMCZHZNCPKY-CQSZACIVSA-N 446.357 2.228 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCNC(=O)OC(C)(C)C)C1 2267126081 JORSZTOYLDFJHW-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 2267128943 VPPAXNOVRJIOAH-HNNXBMFYSA-N 448.373 2.332 30 10 IEEE Cn1ncc(C(=O)NCCCC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267507772 UJJZOOCDWYGFMB-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337193134 BPYJKAATBJPKIC-GOSISDBHSA-N 438.381 2.456 30 10 IEEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3c[nH]c4ccccc34)n2N)n1 20527862 QMBACPDCHKJEJC-IFRROFPPSA-N 427.519 2.415 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)NCc1ccco1 32724875 VIXVDZFDTGFLEC-UHFFFAOYSA-N 436.262 2.124 30 10 IEEE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 33474057 GFDLYEJASHXZHV-WJDWOHSUSA-N 430.555 2.272 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Br 432995601 CUGKBQYXKPBNIJ-CQSZACIVSA-N 426.336 2.344 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 441240505 XKNWHYZKFYDZLC-JYBIWHBTSA-N 447.919 2.320 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)n2)cc1 441242106 ZUIJDJBKOWFSIF-HXUWFJFHSA-N 432.459 3.029 30 10 IEEE CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)C1 443330987 NTAKDFQCIWNBHV-WIXQSORDSA-N 439.560 2.237 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 460962692 LQRISCUYHJSNBL-UHFFFAOYSA-N 426.565 2.367 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 478752037 CDRDQMWDLKIUKL-CQSZACIVSA-N 449.463 2.002 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1C 478752961 INHPCECQBPZHJI-UHFFFAOYSA-N 435.553 2.014 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 480753680 WXABEGRGQJQVQC-UHFFFAOYSA-N 449.554 2.041 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCCC[C@H]1CC(N)=O)CCCC2 494813652 XVCCAKJLSYJMST-DLBZAZTESA-N 427.549 2.086 30 10 IEEE CC1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 509402958 AXNOFBRBNCLCRO-MRXNPFEDSA-N 425.938 2.025 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCCN(c4ccccc4)C3=O)C2=O)cc1 510129594 BCSPZISLVGXTCR-PMACEKPBSA-N 445.479 2.075 30 10 IEEE CCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2CC)c1=O 512737340 ACSRHMVWZXMINR-UHFFFAOYSA-N 436.537 2.321 30 10 IEEE N#Cc1ccc(N2C(=O)C(Sc3ccccc3)=C(N3CCN(CCO)CC3)C2=O)cc1 526680235 IQPRYCDVFSQNFC-UHFFFAOYSA-N 434.521 2.045 30 10 IEEE Cc1cnc(CCN(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 535868924 FJBUGMMACFGUOD-UHFFFAOYSA-N 440.529 2.394 30 10 IEEE CC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1CC(F)F 537288080 GYFCEWAPTWRWQO-VQTJNVASSA-N 437.510 2.196 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(-c4ccccc4)c3N)CC2)cc1 540154393 YRRPCSVKQAWBFU-UHFFFAOYSA-N 447.520 2.349 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)CC2)n1 546218237 KHKXGMUHDYUIMJ-UHFFFAOYSA-N 432.484 2.346 30 10 IEEE COC(=O)c1cc(NC(=O)N(CCC#N)CCN2CCOCC2)ccc1Br 548082169 ZJULMVXHUAAYHH-UHFFFAOYSA-N 439.310 2.315 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1C 549214430 UCVFRZBFWPYRID-LJQANCHMSA-N 449.577 2.011 30 10 IEEE N#CCCn1cc(CN[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(-c2ccncc2)n1 576142260 HBXKNNONXAEHMC-FQEVSTJZSA-N 436.541 2.412 30 10 IEEE C#CCN1CCC(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1 726169198 LXVNRKMEAGIIGB-UHFFFAOYSA-N 427.549 2.422 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2cnn(C)c2)c1=O 728897636 FPMHVWGYGSNIQO-UHFFFAOYSA-N 446.454 2.458 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)N1c2ccccc2CC[C@@H]1C 729905228 BKOJIMMXBZLXDY-ZDUSSCGKSA-N 428.514 2.411 30 10 IEEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(F)(F)F)c1 730142484 ROGAILLFTHJZQD-OAHLLOKOSA-N 426.464 2.338 30 10 IEEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(Cl)c(F)c1 755059034 JPXUNXIUSSOXNK-QITAFNTKSA-N 435.887 2.050 30 10 IEEE COc1cc(OC)c(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(OC)c1 758382381 JCMYDOWXXZAUPY-CZUORRHYSA-N 434.493 2.271 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 764051778 HESIWKVSZIBHLK-HKUYNNGSSA-N 449.529 2.443 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2-c2cccs2)c1=O 769640103 UTURDEYJXDHPGT-UHFFFAOYSA-N 436.562 2.430 30 10 IEEE C#CCN(C(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 774167321 SHXRPGXSHWFNBB-JQVVWYNYSA-N 431.602 2.496 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1=O 778112770 DRLMUYRWMYPWMN-DEOSSOPVSA-N 445.523 2.128 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 781663960 NZKJVQKQSDHLFF-UHFFFAOYSA-N 434.473 2.483 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)n1 790106248 ZOKABILPTPWVGL-TZIWHRDSSA-N 428.920 2.364 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 792746282 LJOLRWWPRPGCMR-YJBOKZPZSA-N 434.537 2.246 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2cnc(OCC3CC3)cn2)c1 793173619 MDMBEZUGFXBYCL-UHFFFAOYSA-N 437.275 2.018 30 10 IEEE C[C@H](C(=O)OCCCOc1cccc(I)c1)n1cnc(C#N)n1 798742831 VEBYHTDCJYKUGN-LLVKDONJSA-N 426.214 2.328 30 10 IEEE CN(CCCn1c(-c2cnccn2)csc1=Nc1ccccc1C#N)S(C)(=O)=O 803181140 CJPVURXRWHAOEZ-UHFFFAOYSA-N 428.543 2.392 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 806383240 GVRMTABKMMFPHM-RTBURBONSA-N 444.532 2.242 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(CC(=O)N2CCCC2)no1 809462477 XFVMCFSTLWTSEX-HNNXBMFYSA-N 431.518 2.205 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2snnc2C)cc1 813563702 ZMUFOPISQYPCGA-INIZCTEOSA-N 446.602 2.355 30 10 IEEE N#Cc1ccc(OCC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1Br 856615488 PPWPNGDHTRLIMX-JKSUJKDBSA-N 443.301 2.077 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCN(C(=O)C3CC3)CC2)C1=O 914548436 HYODYKOHRMSCDJ-KRWDZBQOSA-N 432.521 2.294 30 10 IEEE CN(C)c1nc(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cs1 1143348077 HDGLRXAPGXKNLL-UHFFFAOYSA-N 449.602 2.167 30 10 IEEE C[C@H](NC(=O)CCC(=O)NCc1ccnc(C#N)c1)C(=O)c1ccc(Br)cc1 1156655293 CJLASMRQLNQIHE-ZDUSSCGKSA-N 443.301 2.500 30 10 IEEE C=CCC1(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CCCCC1 1157375359 NIGJIMBXLYGQIF-LJQANCHMSA-N 427.593 2.476 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(F)c1 1164539485 OODGMXHEQFOAFW-FMQUCBEESA-N 446.479 2.383 30 10 IEEE C[C@@H](CC(=O)N1CCC(Nc2ccccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1178094120 BQUWSGLSMRZLCS-HNNXBMFYSA-N 427.530 2.002 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)c1 1180135596 SXMZQRQOBCGGLE-NGEICVOHSA-N 438.571 2.098 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 1211784381 HCIGMDGZOCDNSA-IAGOWNOFSA-N 425.482 2.064 30 10 IEEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1251286069 QTIZDCGXNZXGKU-HXUWFJFHSA-N 428.514 2.092 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286319861 XAXBCCOXSVDKLZ-UGKGYDQZSA-N 435.576 2.132 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1286375981 BRDCEXPAQRYSFM-CYBMUJFWSA-N 428.436 2.038 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CCC1 1286427549 BLIBRUVOQNIESG-UHFFFAOYSA-N 428.533 2.438 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCCN(C)C)c2)CC1 1286476234 RUMZTZPNXUMAPA-UHFFFAOYSA-N 445.571 2.084 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C/C=C/c2ccccc2)CC1 1286493383 GTEISLXTGXEAMT-UXBLZVDNSA-N 446.555 2.080 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1286711654 ODGFIKOFFMVPSU-APWZRJJASA-N 427.505 2.050 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1)C1CC1 1286739074 OBRJYOQPQABIHY-IYBDPMFKSA-N 428.541 2.495 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1286768005 NFZYOOPZXXKDGV-SFHVURJKSA-N 433.516 2.427 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1286790558 GDDAXDWHSYXZEE-UHFFFAOYSA-N 429.521 2.208 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1300287071 SUYPRNAQHGBPNW-YJYMSZOUSA-N 436.329 2.371 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300487008 DEYXYJPAWSEICS-HNNXBMFYSA-N 439.472 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1300527106 BMHCXIXNJPABPL-GOSISDBHSA-N 443.555 2.230 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CC(C)C)c1C 1300528570 ZTGXTLYWIZYDDQ-UHFFFAOYSA-N 433.516 2.288 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCSC2)CC1 1300725063 FPRDZZCNZJFNNV-IEBWSBKVSA-N 431.606 2.281 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1300876437 STJLQJZCNPPXGL-RTBURBONSA-N 446.596 2.092 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1300900978 VGXOCXXVSBFZLR-FOIQADDNSA-N 439.557 2.338 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300952286 PXOIWJAWYCIBSL-OPAMFIHVSA-N 446.552 2.022 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300956802 GNUOKQSGHPVKKH-UHFFFAOYSA-N 431.610 2.200 30 10 IEEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1301009780 CVCYSBOFKKPHQN-FQEVSTJZSA-N 440.573 2.476 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301055390 ZPLVBDJVGLWYDN-RBUKOAKNSA-N 425.468 2.113 30 10 IEEE C=CCC(C)(C)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1301158597 JXKPLCDAXOFCFT-UZLBHIALSA-N 426.583 2.156 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1301290141 YOMLWOZNLXWQEH-HSZRJFAPSA-N 438.532 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1301497409 VUJQMXCEWGGNRC-INIZCTEOSA-N 448.531 2.106 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCc2cnccn2)cc1 1301519411 SYQRMMXUTPMENC-HXUWFJFHSA-N 433.516 2.311 30 10 IEEE C=CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1301621062 PSULAWOGKURZGX-WWMYMODYSA-N 435.594 2.097 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CCO1 1303003034 BFGNSAIDKOXGBR-QGZVFWFLSA-N 430.896 2.093 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 1309141077 DFKGKLVDECZPTB-UHFFFAOYSA-N 436.419 2.359 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@H](c3cccc(OC(F)(F)F)c3)C3CC3)C2)c(=O)nc1O 1312674134 CEWAZHSXODGFNB-INIZCTEOSA-N 449.389 2.437 30 10 IEEE CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)cn1 1313845986 DXPWEYHVVVFDKC-SFHVURJKSA-N 433.582 2.211 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1315566354 HDUKTIYNCPXPAL-UEXGIBASSA-N 440.548 2.182 30 10 IEEE COCCn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1316112608 PULRKQFBDGOUQK-OFNKIYASSA-N 441.532 2.415 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCO[C@H]2CCOC2)c1 1316528501 FBWKZPJUTHIVIG-QUCCMNQESA-N 438.532 2.104 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)c([N+](=O)[O-])c1 1353983958 SBLGPUUEOZQFLY-HXUWFJFHSA-N 432.502 2.121 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1354355843 AXJHHZBNTFBKEU-SFHVURJKSA-N 446.598 2.050 30 10 IEEE COc1cccc(C(=O)NCCNC(=O)COc2ccc(C#N)c(Br)c2)c1 1357195702 HDBAOLZZJJIHJL-UHFFFAOYSA-N 432.274 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1358881038 YCLJRAIFQUZDCJ-KRWDZBQOSA-N 447.547 2.027 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1358908145 NESYDDAAGKHRBX-KRWDZBQOSA-N 438.532 2.322 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCCN(CC)S(C)(=O)=O 1358974457 FMWKELBUSRZAKI-UHFFFAOYSA-N 433.965 2.343 30 10 IEEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCCN1CCN(c2ccncc2)CC1 1359006435 UQNPLYJPFNRCBR-UHFFFAOYSA-N 432.576 2.350 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1359007395 IDGIEDNPTXJTAO-UHFFFAOYSA-N 430.516 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1359070725 SWGYEFPFODSTPQ-NNMXDRDESA-N 433.622 2.437 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1359083041 AMOZUGRUJSAHKN-HZPDHXFCSA-N 428.375 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](COC)C1 1359089692 MSFVDLWSBQRSNI-UHOSZYNNSA-N 435.569 2.029 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1359107793 VJYATVMPSHOFCE-YLAKUSLOSA-N 425.599 2.232 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nc(C)ns2)CC1 1359125423 CIHOSFXYXWNKJT-IRXDYDNUSA-N 433.582 2.455 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359294336 QTHZWYCYWCZHFX-KRWDZBQOSA-N 430.940 2.396 30 10 IEEE Cc1cc([C@@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1361003436 USHIDYPKRCWHEJ-UWJYYQICSA-N 442.545 2.480 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 1460027040 GFJYSYDESMYAMO-HRAATJIYSA-N 427.526 2.388 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)s1 1464707393 ZNXPGSDTEBFIIO-UHFFFAOYSA-N 448.545 2.114 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC[C@H](C4CC4)N3C(=O)OC(C)(C)C)CC2)c1C#N 1466920963 BRWCQGSSBYXJIQ-RTBURBONSA-N 442.564 2.427 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCC3(OCCO)CCC(C(F)F)CC3)CC2=O)cc1 1472156862 PDNVJIWHTSDUIU-PSCUFVCCSA-N 435.471 2.230 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1504646714 BSNNTIIXCSYGNT-UHFFFAOYSA-N 436.560 2.446 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1507511652 CMKGEDQKUBVRLQ-MRXNPFEDSA-N 449.490 2.261 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)CC1 1507580698 JZGLCPIOSRVDMT-UHFFFAOYSA-N 432.322 2.456 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507631395 DERGWAXFTFWGSX-UXHICEINSA-N 428.558 2.019 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC=CO1 1507654092 VNQQASBMEYOPQM-RTBURBONSA-N 441.532 2.352 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507747079 AMKVNPAEGLMDPP-OAHLLOKOSA-N 446.964 2.187 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1507830820 CNPBILCEGLGNRW-UHFFFAOYSA-N 425.505 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1508077653 PJYMMBCBQRGYLK-KRWDZBQOSA-N 428.537 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C2CC2)C1 1508118562 SHCBEKMTXOHRBJ-AVRDEDQJSA-N 446.573 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C#N)C1 1508134726 HIBSDMOUHIIHNB-RTBURBONSA-N 429.546 2.150 30 10 IEEE C=CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1508162586 PCOXFNHKLMVEPB-OALUTQOASA-N 434.654 2.386 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1509950467 DFHUPCJHLDTIJK-APWZRJJASA-N 435.532 2.138 30 10 IEEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1513257376 FZGXCNBXUHSXDB-HXUWFJFHSA-N 440.548 2.363 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)CC1 1516756846 IYGFBQUJUJXZBP-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCO[C@H](c4ccncc4)C3)C2=O)cc1 1525988311 WJHDDSNJDGTOFI-RLLQIKCJSA-N 433.468 2.195 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CCCO 1538965820 QEUHCXMQADHXPZ-FPOVZHCZSA-N 438.576 2.452 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1539037554 GPQMHADXBUUFBZ-MKXGPGLRSA-N 446.596 2.227 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1539053561 VEDKWAYKRMTKTB-IEBWSBKVSA-N 431.562 2.270 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2ccnn2)CC1 1539086020 WXBWWPLBCITRJC-PMACEKPBSA-N 427.553 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCCO)c(OC)c1 1539317667 FKRLATHAFCRAJK-NRFANRHFSA-N 438.528 2.411 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1539392622 SDOVPYWEFQCVLE-VGOFRKELSA-N 446.548 2.120 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCC(=O)N1CCCCC1 1539407590 IAGDPEBDFSVPMR-UHFFFAOYSA-N 425.533 2.442 30 10 IEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)s2)CC1 1539553341 KBBLAYZLRHUEBV-UHFFFAOYSA-N 435.531 2.019 30 10 IEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539974944 XLYQWHCDBDCQJX-UHFFFAOYSA-N 437.552 2.083 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCN(C)C1 1540133034 DGZZTUIMELVYHP-HFMPRLQTSA-N 441.576 2.261 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(C)(=O)=O 1541106711 AWUZIJSMVNJQHA-UONOGXRCSA-N 436.607 2.276 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1545713232 OLDQAPVXTZVXPR-GOSISDBHSA-N 447.543 2.495 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 1545773876 WZBQQVIGSRFDHG-KRWDZBQOSA-N 443.500 2.086 30 10 IEEE CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1547094796 IGQITJOMFSUNCP-MRCUWXFGSA-N 435.488 2.101 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1552729293 JFDSBFQGBWHSMG-UHFFFAOYSA-N 444.421 2.140 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1554593575 DDEAHQCWTCLHDQ-IERDGZPVSA-N 446.577 2.360 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1555990886 ISMRKPOOTZFLHO-LJQANCHMSA-N 427.530 2.462 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC=C(c3cn(C(C)C)nn3)CC2)cc1 1556754247 MQSQLSUIRFEMEW-UHFFFAOYSA-N 427.530 2.090 30 10 IEEE C=CCN(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1556761010 JWYICYUIWWHJHW-LJQANCHMSA-N 433.574 2.445 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C2 1570758506 TYEOEMRZUAPHEY-UHFFFAOYSA-N 431.539 2.169 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@]2(C)COCCO2)c1 1587689103 BFLBSNPXUWPGOP-HSZRJFAPSA-N 434.500 2.135 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588049577 IPAYQWRRLJSMEF-SFHVURJKSA-N 444.557 2.260 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](OC)C(F)(F)F 1588088884 BJRVNKUFOYEMRX-QFBILLFUSA-N 428.455 2.359 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2oc(CCC)nc2C)CC1 1588929793 GWHZWILGPMQNFE-SFHVURJKSA-N 440.548 2.045 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1589192341 PRTFWUOESXLFPK-JOCHJYFZSA-N 436.541 2.289 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1589615654 SJTGHNOBTDUYQN-SFHVURJKSA-N 435.536 2.238 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1593763367 IFLZWLQQNXPOQH-NRFANRHFSA-N 439.560 2.441 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1593884155 CZRYPXGDHGDBKC-IMJJTQAJSA-N 431.990 2.378 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1594553331 YUDFTIQCIQQZHV-AQNXPRMDSA-N 425.533 2.441 30 10 IEEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1594760756 OXTKKQPIFUHZQV-UHFFFAOYSA-N 426.565 2.342 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1594855314 ANJLHAYZEJUXNR-FXAWDEMLSA-N 446.621 2.347 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 1595721807 GRVOORXRBQMMFO-OALUTQOASA-N 446.573 2.213 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN(C3CCOCC3)C2)c1 1596612103 TULVZMDENVMUPF-DARPEHSRSA-N 448.589 2.329 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1596781782 DYTYLPYVJWBKET-KRWDZBQOSA-N 437.548 2.054 30 10 IEEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1607497304 DZXWWKZGGXELKC-UHFFFAOYSA-N 429.436 2.464 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1613002448 RICSDTHFULIBGO-NXHAUGRDSA-N 442.907 2.350 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OCc4nn[nH]n4)cc3)CC2=O)cc1Cl 1629336387 CVLZNRZZHKCNKX-CYBMUJFWSA-N 437.847 2.295 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c1 1629596199 ZWCYXLNMSKFELG-UHFFFAOYSA-N 427.526 2.027 30 10 IEEE CNC(=O)CN1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1634647835 PLUSLMALXFJVOS-UHFFFAOYSA-N 429.336 2.480 30 10 IEEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1636660999 WJXSUXZKECBREQ-UHFFFAOYSA-N 438.855 2.014 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC3CN(c4ccc(C(F)(F)F)cc4)C3)CC2)c1C#N 1638555283 JRIGJYPLOFORFH-UHFFFAOYSA-N 447.465 2.339 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)[C@@H]1CCCc2ccccc21 1645390028 OHEHLSGIQOBRCF-VGOFRKELSA-N 426.538 2.499 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)cc1 1646043715 ANEPZAAIPQZPFQ-UHFFFAOYSA-N 437.481 2.009 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)OC)cc1 1647973358 PWCMMYBPXAJLGS-NRFANRHFSA-N 448.928 2.156 30 10 IEEE CN(Cc1cnn(C)c1)C(=O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655767380 NIPCGYRDOKVWTJ-QWRGUYRKSA-N 434.331 2.481 30 10 IEEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1660031326 IHHDNHNGGPYQQQ-HXUWFJFHSA-N 432.567 2.286 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OCC 1665797114 NGUGSSVUQYPRCQ-CYBMUJFWSA-N 429.438 2.156 30 10 IEEE CS(=O)(=O)c1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F 1677627051 IBGWBFJUIWNCLL-QGZVFWFLSA-N 430.461 2.023 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)N(C)CC(C)(C)C#N)c1 1682189244 QDMGYIQIVJMHDW-UHFFFAOYSA-N 431.356 2.227 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)C1CCOCC1 1683593715 GYPSBACFLBHVKY-WMZOPIPTSA-N 425.451 2.338 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1689924822 VBLQZNJNTYAAJC-KRWDZBQOSA-N 437.552 2.482 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1689947637 JTPKHHTUPKWAFZ-APFMSCDFSA-N 438.463 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@H](C)C1 1690006036 HQCYJOUNIMCAEO-IBGZPJMESA-N 439.585 2.153 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)c1nccs1 1690008258 BVLLFSBXCGWACV-INIZCTEOSA-N 429.513 2.254 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1690122652 XZIMSALNNIYJKU-APWZRJJASA-N 442.951 2.105 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](COC)C1 1690159744 LDMAIPXOEZROIN-IBGZPJMESA-N 432.546 2.180 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690170218 BWORCSYKBOLSAF-UHFFFAOYSA-N 433.603 2.418 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)COC)CC1 1690176995 GFAHLRBWVDZCKF-UHFFFAOYSA-N 445.564 2.106 30 10 IEEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690342123 ARKYRGOKTLEHDK-QGZVFWFLSA-N 444.001 2.319 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690451683 NAKBFVCRXWPZIB-MRXNPFEDSA-N 432.550 2.295 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690742742 ZTPUSDQOZQZMRV-LAUBAEHRSA-N 431.537 2.385 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)c1ccccc1 1698253577 AEMWZPKLSAXYEU-MMKMLUHNSA-N 440.548 2.256 30 10 IEEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)CC1 1698489864 BCMREBSQBDYYOW-UHFFFAOYSA-N 429.912 2.016 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1705517549 XWHHMTQRSHUTNV-KRWDZBQOSA-N 438.619 2.086 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1705635128 RUVJIWPRIIVZBK-HXUWFJFHSA-N 441.601 2.152 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCC(=O)N(CC)CC)CC1 1705637440 XLLXHFZSPRMDDI-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705723056 XHCXLUKZVVQYBC-INIZCTEOSA-N 442.520 2.103 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705779874 AIECQVOZHHCQCZ-FUHWJXTLSA-N 438.642 2.411 30 10 IEEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705799637 CDJAIIHGRJDSLD-UHFFFAOYSA-N 445.568 2.073 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908883 XLDXFEGMNJNPBY-MWDXBVQZSA-N 430.553 2.340 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705913433 OBOOUBQVRWFDOE-UHFFFAOYSA-N 433.578 2.314 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705946024 XJECUIBSTVBLNX-DLBZAZTESA-N 443.639 2.205 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1706169850 CJJBQHSUQSFIFB-QGZVFWFLSA-N 427.509 2.374 30 10 IEEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1707845387 RCCMGPDMSGYLOA-KXBFYZLASA-N 449.606 2.103 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnn(C)n1 1711086266 HKVFNXHGPFHCAN-IEBWSBKVSA-N 435.536 2.277 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722301455 BOBBXARZOQZRCJ-MOPGFXCFSA-N 445.589 2.213 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1722429227 IUXGTMBZBMADBN-LJQANCHMSA-N 438.576 2.374 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC)cc2)CC1 1722446514 YWKAMAFTEAOQPG-UHFFFAOYSA-N 447.543 2.091 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2OCCC2(C)C)CC1 1722448799 IMDNHAIKTXYZCH-HXUWFJFHSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1 1722454298 BLBFZPVXEQFUBV-UHFFFAOYSA-N 430.622 2.445 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722621145 VZTLLKAHBLJENM-UHFFFAOYSA-N 446.577 2.033 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1722690319 HQQDBQKNSZJRFH-KRWDZBQOSA-N 449.490 2.361 30 10 IEEE CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1723249440 HCMIBMNTASLAHD-PGRDOPGGSA-N 438.532 2.116 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2Cl)CC1 1740692404 KCEFVKDDQYDKHK-QFIPXVFZSA-N 429.952 2.387 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(O)(CCC)CCC 1740726245 ZTQVIAVKKMJPSO-QFBILLFUSA-N 425.599 2.212 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740744771 XWYBPONOUFFWET-IRXDYDNUSA-N 440.386 2.239 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCC1 1740940814 TZGCHULQKCJLAX-UHFFFAOYSA-N 438.532 2.136 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1741003079 OONLWPTXIMMHNP-SFHVURJKSA-N 443.573 2.369 30 10 IEEE CCNC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1746530378 ZXQADZFEPMKOKN-UHFFFAOYSA-N 449.515 2.242 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1748104552 JRRBAFWJXPBCBC-WMZOPIPTSA-N 432.532 2.094 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1CCCO[C@H](C)C1 1748848660 MTTGLPKBTKGHCP-OAQYLSRUSA-N 435.572 2.451 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CCCO1 1748949746 ASBOIURUCCBBRR-NRFANRHFSA-N 432.546 2.004 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(-n2ccnc2C)nc1 1748956085 ICCYNOMUQPGALE-UHFFFAOYSA-N 430.516 2.307 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1749247476 PMUWEJTUMLXXME-ZCNNSNEGSA-N 446.573 2.339 30 10 IEEE C=CCCOCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749458144 ZBKFDCIXNGQRCI-RXVVDRJESA-N 430.597 2.127 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1749465347 RMRZPGBVCKZPHC-GFCCVEGCSA-N 437.957 2.099 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749663444 FNSXDLYTSZBKAO-UHFFFAOYSA-N 441.486 2.191 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1750116096 AEANGULADQPZAH-GOSISDBHSA-N 435.532 2.172 30 10 IEEE CC(C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1750657403 ZOUGTVVXNLUTNU-XEVXXXDWSA-N 432.435 2.448 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccc(N(C)C)cc1 1751930041 DMXJNLADEJMUNG-KRWDZBQOSA-N 431.548 2.272 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCN1CCCS1(=O)=O 1760125941 WJVGMKFWQXHOEH-INIZCTEOSA-N 449.602 2.072 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1760149676 BXBSIFPYHDRZGM-UHFFFAOYSA-N 434.500 2.032 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760158637 OZICXVFHYYXNCF-IBGZPJMESA-N 432.546 2.293 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCn1ccnc1C 1760170530 GTGRVOUYSOIZTQ-UHFFFAOYSA-N 440.577 2.293 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1760175680 OZRKKEPZBREYDS-QGZVFWFLSA-N 446.548 2.137 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 1760186853 RESFNGVDBCWVMF-RYRKJORJSA-N 428.558 2.400 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760372516 MIAZPRPEAIZUTL-UHFFFAOYSA-N 427.856 2.117 30 10 IEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760432730 SFCYWRKMJAWQSI-MRXNPFEDSA-N 442.520 2.151 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760448986 WWIPCGFIIAGHBP-UHFFFAOYSA-N 440.548 2.008 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1760460859 FGVKUYATGMKFLB-OAQYLSRUSA-N 426.546 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(c2nc(C)no2)CC1 1760520278 ITJOORTXDURSTK-UHFFFAOYSA-N 437.504 2.331 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC(=O)N(C)C 1761035760 CDBQPQJAVSJUSE-UHFFFAOYSA-N 427.528 2.292 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1761358698 CNADNWFAKXNSJM-WBVHZDCISA-N 445.545 2.422 30 10 IEEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)NC(C)C 1762581968 JHOBNMCZEUVHTG-HXUWFJFHSA-N 430.578 2.245 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCCO1 1764994196 SKHMVJNRSAWSLH-PMACEKPBSA-N 438.532 2.117 30 10 IEEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(C)(F)F)c2ccccc2c1=O 1765583794 CYJKYHDTJCHLJV-CQSZACIVSA-N 443.458 2.449 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1767420720 HGDXOTQMCJXQFL-JLMWRMLUSA-N 443.573 2.239 30 10 IEEE O=C([C@@H](F)CC(F)(F)F)N1CCN(c2nccc(-c3noc(C(F)(F)F)n3)n2)CC1 1851798468 XLSVZANYXWMOTO-QMMMGPOBSA-N 442.295 2.485 30 10 IEEE N#Cc1ccc(NC(=O)C[C@@H]2CSc3nccc(=O)n32)c(I)c1 1852043352 RJNAIWRPUGQUFC-SNVBAGLBSA-N 438.250 2.395 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1852359866 DORLFUAXCZPMGM-UHFFFAOYSA-N 434.566 2.086 30 10 IEEE Cc1ccc2c(c1)N(C(=O)c1cccc(C#N)c1F)N=C(C(=O)N1CCCC1)S2(=O)=O 1853090280 SCENIASIEICLQS-UHFFFAOYSA-N 440.456 2.376 30 10 IEEE COc1cccc2c1C[C@@H](C(=O)O[C@H]1CON(S(=O)(=O)c3ccccc3C#N)C1)CC2 1853683344 VPYRSQJPTGNNRF-FUHWJXTLSA-N 442.493 2.220 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)c3cncc(Cl)c3)C2=O)C1 1854914065 YUZGUWOUIFJESW-GOSISDBHSA-N 425.876 2.286 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004807 MDOALYOTUMODSM-ZGKFYVQTSA-N 427.530 2.468 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874279617 DJDLMQZGKGJHOY-XLTHYULKSA-N 432.506 2.267 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)CC1 1890297312 YOZOBALOCNMROI-UHFFFAOYSA-N 437.540 2.055 30 10 IEEE N#CC1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1890330877 YKWYFAMEHWVVTL-HNNXBMFYSA-N 445.010 2.296 30 10 IEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 1890389204 PBHYPVWVJLXERR-CQSZACIVSA-N 425.514 2.371 30 10 IEEE CC1(C)OB([C@@H]2CCCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1933578799 UDAGYMMYYNWGMW-OAHLLOKOSA-N 448.350 2.171 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 1985009452 QCPGRHZYFSSUIA-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 1992856835 YFDPKWMRKATIJN-OAGGEKHMSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)O 2010520535 ZQDIYMNVWLMHPL-JPYJTQIMSA-N 430.549 2.277 30 10 IEEE C[C@H](C#N)N1CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2010542206 CFYJVVKJZOWTMI-QUCCMNQESA-N 429.565 2.068 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)CC2(C#N)CC2)C1 2025249005 ULBXFXPUYCLBQV-IBGZPJMESA-N 448.589 2.331 30 10 IEEE CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633567 PAEOZUUHWYQPLE-KRWDZBQOSA-N 434.342 2.224 30 10 IEEE COCC1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2060638429 WURQHDZYNRVRJX-MUJYYYPQSA-N 436.358 2.421 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060639234 FTQYECZOBAYHCD-MRXNPFEDSA-N 436.314 2.396 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677597 HSYAQASODRBJDK-YOEHRIQHSA-N 447.341 2.344 30 10 IEEE CC1(C)OB(c2cnc(NC(=O)CCCNC(=O)OCc3ccccc3)nc2)OC1(C)C 2211307474 UONNFZUKUFYQEK-UHFFFAOYSA-N 440.309 2.421 30 10 IEEE C#CCN(CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O)C(=O)OC(C)(C)C 2237389460 OXXNDIVQCLURFA-HNNXBMFYSA-N 439.306 2.431 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2247832887 XBVCEBLBFHSPFJ-MPBGBICISA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247840699 RBJDICBBHPCVJY-UHFFFAOYSA-N 447.313 2.332 30 10 IEEE CCN(C[C@H](C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248406389 XQRKAIFFKZXSJA-LBPRGKRZSA-N 440.375 2.091 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]2C1 2255855651 RBUKQFCXQHBLMK-IMJJTQAJSA-N 431.342 2.299 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267096953 MGBHJPOJWFFPJD-RCDICMHDSA-N 446.357 2.086 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)OC1(C)C 2267145671 IABJSGUJFHPTJS-NVXWUHKLSA-N 446.307 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267175600 OCFUSYBOACZXBR-FZNQNYSPSA-N 446.357 2.199 30 10 IEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267518449 BTCTVYXFCUADLT-CQSZACIVSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2267518982 FBHOSLWTUANJGK-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267550821 FDRHSZDRTDDLSC-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267802001 MQWQQAQRWFNAQR-ZDUSSCGKSA-N 448.325 2.136 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268632233 HVMVCWWWXKWRTN-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268641043 LEAGBZOOAWULAV-QGZVFWFLSA-N 448.369 2.268 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268717789 ZBKLILGDYAWICM-GJZGRUSLSA-N 447.341 2.392 30 10 IEEE Cn1ncc([C@@H](C#Cc2ccc(Br)cc2)NN)c1I 2278786109 LIRKDJMYZLHKJS-GFCCVEGCSA-N 431.075 2.343 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 2282835735 ATXYQVIDBIWZRJ-CQSZACIVSA-N 443.396 2.129 30 10 IEEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)s1 2297056957 BSPXXXKSHPIBSD-GOSISDBHSA-N 442.541 2.299 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCCCC(=O)O)C(=O)[C@@]12C 2297591153 NDECAKZQMZKBRI-QHCPKHFHSA-N 443.452 2.413 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300341014 FTOZYXPTFYUBIA-STQMWFEESA-N 435.355 2.276 30 10 IEEE CC1(C)OB(c2cc(Cl)cnc2N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2301372738 HFYMCCRKGHJEAN-UHFFFAOYSA-N 429.757 2.375 30 10 IEEE Cc1ccsc1/C=c1\s/c(=C(/C#N)C(=O)NC2CC2)n(-c2ccccc2F)c1=O 3295507 UUTWRKRGDHSJQW-INIRNMSMSA-N 425.510 2.190 30 10 IEEE C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cccc(OC)c21 254698611 QBSVBPWAWMMYAT-UHFFFAOYSA-N 429.523 2.336 30 10 IEEE CC(=NOCC(=O)OCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc2c(c1)OCO2 254858596 RSHMZWMONPWUSH-UHFFFAOYSA-N 441.440 2.040 30 10 IEEE O=C(O)[C@@H](CCS)NS(=O)(=O)c1ccc(Br)cc1Br 306023734 ZWCKFCLPYIMORF-MRVPVSSYSA-N 433.143 2.263 30 10 IEEE C#CCn1ncc(NCC[C@H]2CN(Cc3ccccc3)CCO2)c(Br)c1=O 312321332 BWOIIZHIZQCGEG-KRWDZBQOSA-N 431.334 2.342 30 10 IEEE CC(C)(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409514732 RIPJZUZZQJXBEX-JCGIZDLHSA-N 444.960 2.452 30 10 IEEE COC(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 464729763 AIVOXFVXBGUQRH-DLBZAZTESA-N 428.533 2.241 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465480979 BSZRWVXYSCSFKY-AVRDEDQJSA-N 446.555 2.385 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 480499896 JOWKKSVTTLFVJM-KUHUBIRLSA-N 433.917 2.479 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@H]1CCCO1 480929386 GXOREYMPUVNMSO-ZIAGYGMSSA-N 432.567 2.277 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 487037632 GIRREPUBNPKCAP-OTQYULQBSA-N 434.581 2.039 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(OCC(=O)NC4CC4)c3)cc2C1=O 500282737 QOXWUYLKCCPEOW-UHFFFAOYSA-N 449.463 2.387 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)CCC)C1 508511668 WCMWESMEMXOXLR-INIZCTEOSA-N 445.593 2.309 30 10 IEEE C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 508829364 UGBWKBLGPIEQPC-UHFFFAOYSA-N 434.491 2.239 30 10 IEEE Cc1nn(-c2ccccc2)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 523287017 COSLRGGZDRODPB-UHFFFAOYSA-N 435.509 2.199 30 10 IEEE CCNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(C#N)c1)CC2 525019930 HIRGSUYPAJDYRZ-UHFFFAOYSA-N 425.919 2.261 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@H](c3cccc(O)c3)C2)CC1 538353270 HESCWQYRZCESIX-PMACEKPBSA-N 426.542 2.236 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)cc1 540018126 STNPERVHDZTSMS-HXUWFJFHSA-N 443.569 2.114 30 10 IEEE CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544831680 IPRGNISBURFAFE-UHFFFAOYSA-N 442.541 2.255 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 555291088 QIGOLGHGIACCCH-LJQANCHMSA-N 449.577 2.141 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1nnnn1C 558998891 DXAVZIQDRWWJTP-UHFFFAOYSA-N 433.314 2.452 30 10 IEEE C[C@H](c1ccccc1Cl)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 570763009 ZJVNFJAEIDVJSB-MRXNPFEDSA-N 446.960 2.395 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCN(CCOc3ccc(Cl)cc3)CC2)nc1 572640735 UGBMLIZEJICYHZ-UHFFFAOYSA-N 434.949 2.077 30 10 IEEE Cc1cc(NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1Br 741339667 HXRIAKINMPEMAC-ZCXUNETKSA-N 436.262 2.156 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CCN(c2ncc(C(=O)OCC)s2)CC1 743614985 XKCCHHMEKNQWOK-UHFFFAOYSA-N 428.514 2.364 30 10 IEEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C#N 746767842 CIFBGTRBKWXOKH-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC2(CO)Cc3ccccc3C2)c1 751541792 ADKZEUOWGPJVGH-QQTULTPQSA-N 442.541 2.151 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 757871336 JTXHQMLVHQMJFR-QGZVFWFLSA-N 426.558 2.495 30 10 IEEE CON(C)S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1Cl 763714490 XCNMQUTWLCVKRT-UHFFFAOYSA-N 446.876 2.227 30 10 IEEE COc1cccc([C@H](CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)N2CCCC2)c1 775077258 CXGQPVPBTIHQJW-NRFANRHFSA-N 436.512 2.145 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)cc1 775511418 APRAQPZMWQHUOG-HOTGVXAUSA-N 438.550 2.482 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCc3c(Cl)cccc3C2)c1 785609209 AFAQDBRMUJSDTD-UHFFFAOYSA-N 431.945 2.040 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)=NO1 798988029 OQFBAOBRAWZQRN-OFLPRAFFSA-N 443.504 2.429 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C 800013039 POOCZOUHNWLROG-MRXNPFEDSA-N 425.555 2.135 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@H]2CCCO2)C1 802689165 KXZDVKKKLWPYFI-UTKZUKDTSA-N 428.468 2.325 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cc(C#N)ccn2)C1 807168321 GWYDJAUKCMGAHO-IEBWSBKVSA-N 441.532 2.321 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 824549354 BVFJMIFOFUUJIB-BATSVXPKSA-N 435.546 2.136 30 10 IEEE C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 913005107 QYSMEQOBSWXDHT-UHFFFAOYSA-N 429.336 2.284 30 10 IEEE C[C@@H]1CCC[C@@H](CNC(=O)C2CC3(C2)C[C@H](NC(=O)C#CC2CC2)CCS3(=O)=O)C1 952876177 DUVBHHDVMMIWEQ-JGCBYIBOSA-N 434.602 2.185 30 10 IEEE CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@@H]1NC(C)=O 1083524774 GQESMUJMZIWSMJ-NDYOWHOSSA-N 431.570 2.174 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)c(OC)c1 1084352939 BEIOTARZQNHRCH-UHFFFAOYSA-N 444.521 2.349 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 1136582928 AOOZAOGWSOPOGE-UHFFFAOYSA-N 437.504 2.167 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3csc(CC)n3)CC2)c1 1142201448 DAWDHFKBFZSLMS-UHFFFAOYSA-N 431.583 2.461 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1142886161 FYBPNLTVKHRJRG-KRWDZBQOSA-N 426.510 2.116 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C(C)C 1211223143 RCUPLBKNHKCFJU-QFIPXVFZSA-N 446.617 2.471 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(I)nn1C 1267699840 CRYOLSPHOVNOJG-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286342489 RESVEDBWJVQYTL-GOSISDBHSA-N 447.609 2.032 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286379975 AKNLCESWDDHJPU-RTBURBONSA-N 427.549 2.434 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286391964 GCKUDLDHBVJMKO-SFTDATJTSA-N 449.665 2.471 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)cc1F 1286462528 LEPCSJYMGBIOQI-UHFFFAOYSA-N 441.463 2.288 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)CN1CCOCC1 1286514711 NFEJPIYXFARZFA-WZONZLPQSA-N 430.597 2.157 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1286668854 VGSULTHCKXJVPU-KRWDZBQOSA-N 435.536 2.225 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286706766 UCCAPFQPGJJMHE-QGZVFWFLSA-N 436.520 2.246 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1286725743 YWPISIQXDCADCX-SFHVURJKSA-N 445.593 2.042 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1286970857 YEJIISKUPQQFSE-CVEARBPZSA-N 435.525 2.384 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1288517202 AOBHKNWNYMKUKM-BRWVUGGUSA-N 443.577 2.103 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@H](C)O1 1291278771 BOARASHRDFHWBY-IRXDYDNUSA-N 426.521 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@]2(C#N)CCCOC2)C1 1295136652 NGHSQHYQSWHNPD-IXFSTUDKSA-N 448.564 2.061 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 1295351770 FDCBFCNFUAHALD-AWEZNQCLSA-N 429.322 2.287 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)C2)CC1 1296179350 FLUZJVCUBCSCTD-JOCHJYFZSA-N 437.592 2.196 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1300300376 YYPGPCDFHVNSSK-OAHLLOKOSA-N 445.531 2.363 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300417195 PMEPONGPKKPRLZ-GOSISDBHSA-N 427.516 2.054 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300487258 ILEWFQVDWIRNSU-NLWGTHIKSA-N 443.573 2.172 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300495027 BTIMAMDPAQZVCC-CABCVRRESA-N 434.484 2.489 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CSCCS2)CC1 1300688100 ANSJXXLSAIHKBR-SFHVURJKSA-N 444.586 2.457 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOCC(F)F)CC1 1300723259 QSGZYGGZZUOVLH-KRWDZBQOSA-N 439.507 2.157 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ncccc2F)CC1 1300732397 MYIYCWBXLJCJLG-UHFFFAOYSA-N 446.552 2.365 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1300868498 FBQQUTNXEULILZ-HFSMHLIXSA-N 441.532 2.395 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1301189209 STZCSRKFPJDONY-GOSISDBHSA-N 430.578 2.258 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C(=O)NC 1301220597 DKTBSSFLJKEFTO-KRWDZBQOSA-N 426.569 2.237 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1301502556 KMWIHKZTPZZUDT-DEOSSOPVSA-N 438.576 2.014 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ncn(C)n2)C1 1301545944 ODCWBRGADQKUKG-QGZVFWFLSA-N 439.520 2.311 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCn2c(S)nc3ccccc3c2=O)CC1 1302585127 DURTWCAKEXGJLU-UHFFFAOYSA-N 437.500 2.435 30 10 IEEE C=CCc1cc(CNC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc(OC)c1OC 1311752043 ZJIDDJYESKQRNH-VQTJNVASSA-N 438.528 2.492 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 1313923955 BKQHHELACOIQBP-FPOVZHCZSA-N 437.592 2.315 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(CC)CC 1358885713 PGONQJIGQORGAD-IAGOWNOFSA-N 431.610 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(N2CCOCC2)CC1 1358899609 QOPKVKQPYIURPF-SFHVURJKSA-N 425.533 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)CN1CCN(CC)CC1 1358992954 AZLNEBUOSGCHJF-FCHUYYIVSA-N 426.609 2.256 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359033231 UOYCXQZUUXARIQ-SFTDATJTSA-N 447.587 2.071 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC(C)C)CC1 1359100310 ZTTSXHVAPLXMPV-HBMCJLEFSA-N 433.597 2.310 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359125920 YPMOFNWXNHEQQL-GVDBMIGSSA-N 425.599 2.243 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359192794 OOAZGSZJKPGBEY-KSZLIROESA-N 432.569 2.160 30 10 IEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359214711 KNFPQKHSGBBXPQ-KRWDZBQOSA-N 431.541 2.338 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359303314 JTKNVFRBAIXRJE-WOJBJXKFSA-N 425.533 2.350 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1359342594 AUZACONVQCLBAB-MRXNPFEDSA-N 438.623 2.086 30 10 IEEE O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1460875109 KJUYDMKVWZNCHP-LPEHRKFASA-N 438.275 2.255 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 1464601916 BLIXOMJGIAEAQG-UHFFFAOYSA-N 434.949 2.080 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC1 1470480849 CNLFIDBIXXSMBK-UHFFFAOYSA-N 425.514 2.472 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)cc1OC 1502816609 PPRHLVTXNWZEBC-IBGZPJMESA-N 438.532 2.343 30 10 IEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)CN(C)C2=O)cc(OC)c1OC 1504066454 NMTYKRZTSQWSPC-FPTDNZKUSA-N 442.520 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1507549436 ZSTFLOJXEIVKMG-BHYGNILZSA-N 430.553 2.033 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCC(=O)NC2CC2)c1 1507549541 GZYSIKZMOCUQOS-UHFFFAOYSA-N 445.527 2.388 30 10 IEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1507625979 MDVXPNJMKQUJIM-NQIIRXRSSA-N 438.594 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1507662655 MNQRZYXWMAKIJY-OAQYLSRUSA-N 442.361 2.237 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1507763626 FBAKHXUWOIOHOR-FOIQADDNSA-N 435.525 2.099 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1507806874 OREGXOROAVWTGC-IEBWSBKVSA-N 430.578 2.373 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](COC)C1 1507843041 QYFOLCRRNFCDNT-QGZVFWFLSA-N 448.593 2.304 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1508017696 UVRUDRAAXRCWDM-GOSISDBHSA-N 429.546 2.054 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1508142995 VUOOYVABLWYFMV-OAQYLSRUSA-N 434.537 2.383 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CC(F)(F)F 1508421193 UGBTWGPGLPHSEY-CYBMUJFWSA-N 441.458 2.486 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)cs1 1511533362 ZGFQGOXMXYQBPY-LJQANCHMSA-N 429.481 2.099 30 10 IEEE CCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1516744038 IWBOPWXUCVANQE-YWZLYKJASA-N 438.504 2.065 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1518745502 GBHAWBPGRCGAPL-LPHOPBHVSA-N 428.512 2.494 30 10 IEEE COCCN(C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1519108695 HTHSBLWUTSSFLY-OAQYLSRUSA-N 430.484 2.084 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1527787522 LRFDQUXQHNSPEQ-LJQANCHMSA-N 434.558 2.032 30 10 IEEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1533859590 XDPZBZPRRMXPDY-UHFFFAOYSA-N 430.929 2.378 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)C(C)(C)C 1539168369 UWKNBGWHZPWDAY-UHFFFAOYSA-N 426.546 2.414 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539215324 ACUXFFDOLCGSBB-HKUYNNGSSA-N 436.541 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1CCN(c2ccncc2)CC1 1539311988 GILIHSQTEXBEGO-UHFFFAOYSA-N 428.544 2.453 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1540160791 BDCHKEJVIFZOCL-IEBWSBKVSA-N 445.593 2.061 30 10 IEEE Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc(C)c1C#N 1540419957 APBZZQCNBALCAE-UHFFFAOYSA-N 440.525 2.313 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1541221601 NIIDIJNCOKFFPQ-HUUCEWRRSA-N 428.493 2.398 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1542123849 UYKZHQBZWSNUTD-SJORKVTESA-N 444.598 2.284 30 10 IEEE Cc1ccccc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1542763295 VFBBQGBJPIBLPR-OAHLLOKOSA-N 428.518 2.346 30 10 IEEE CNC(=O)c1cccc(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c1 1544329555 SOEWBHVLRFVGAG-SZTYLXMGSA-N 440.544 2.492 30 10 IEEE C[C@H]1CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)C[C@@H](C)O1 1545091239 CIVJGNOUBOUJFR-OKZBNKHCSA-N 440.552 2.163 30 10 IEEE CCS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548379874 KJYRCTVGOHLJMU-INIZCTEOSA-N 444.479 2.073 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1554517447 MYIIDBKCDUNWBG-VQTJNVASSA-N 439.516 2.402 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1555421681 YCSJZGGMZIXLBS-QNLWVQNGSA-N 425.533 2.201 30 10 IEEE CSCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555935682 XRFSPMIKRCWRGS-DLBZAZTESA-N 442.593 2.302 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1556411985 LLEDFNFEUKOZBR-OIISXLGYSA-N 430.364 2.096 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 1557172447 LTVUAABWJLIQHF-IAFNSTAXSA-N 427.379 2.041 30 10 IEEE COC(=O)c1ccc(OC)cc1S(=O)(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1561414803 GPWBDBNRTWBOHI-UHFFFAOYSA-N 426.454 2.222 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1568177783 DJIKQZQNUCYXIT-UHFFFAOYSA-N 433.306 2.483 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC(=O)N(CCC(F)(F)F)C3)ccc2c1=O 1569215443 LEHPLYZXTSFMKZ-UHFFFAOYSA-N 426.420 2.066 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(cccc3C(=O)OC)C2)ccc1F 1570085173 XOJCPYBWCNAPKM-UHFFFAOYSA-N 432.473 2.275 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1588120905 UMKKDCLKBDUFIE-HXUWFJFHSA-N 443.555 2.020 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1588613390 ZBQDEEPYPYCBFO-LJQANCHMSA-N 434.544 2.300 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCn1cc(Br)cn1 1588620005 LBBPBKZXVAJHQR-UHFFFAOYSA-N 432.326 2.029 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1589126263 YOFKQVUIDBNPFF-PGRDOPGGSA-N 444.605 2.099 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)=O)C1 1594943633 VDTZQLCHSMBIEC-KRWDZBQOSA-N 445.593 2.119 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1595705727 DCDJTHBECHNQCE-ICSRJNTNSA-N 425.533 2.221 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1595850474 NWYMFHGUJRMJPQ-UHFFFAOYSA-N 426.546 2.207 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1595854849 PAMCDHHEYWTASV-LJQANCHMSA-N 425.497 2.282 30 10 IEEE CC(C)(C)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597168805 MWDLMJMBSUGWRP-NRTINQSCSA-N 442.564 2.355 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1597325150 DLGHNSRIWRZAKE-NHCUHLMSSA-N 443.640 2.280 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1613437029 KXWICBORKISESQ-APWZRJJASA-N 441.605 2.412 30 10 IEEE CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1616390684 BHRMUSDZGAKXSO-LJQANCHMSA-N 434.500 2.448 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1617149582 GPBUATZNYFLQKI-GOSISDBHSA-N 426.521 2.116 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3nnc4n3CCCC4)C2)C1 1623753262 KYCWIRYRDZSFLV-BXFSZVDSSA-N 428.537 2.060 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 1625078159 QVVDRXUFCGGXKY-FZKQIMNGSA-N 446.326 2.478 30 10 IEEE C#CCC[C@H](O)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1626046976 UPQLISFXPNJPTP-DGGJZMOXSA-N 436.508 2.165 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCOC3(CCSCC3)C2)s1 1632114333 UWCNQWWNZQCKNI-CQSZACIVSA-N 430.617 2.316 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)CC1 1636480870 YNGOWKIJNQPULJ-UHFFFAOYSA-N 437.993 2.445 30 10 IEEE C=CC[C@H](C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1)c1ccccc1 1641937140 YSVNANMMVQBZSS-QFIPXVFZSA-N 427.570 2.469 30 10 IEEE Cc1ccccc1NC(=O)Cc1nc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1644636854 PASWQNMVJIWVPJ-YWZLYKJASA-N 430.555 2.003 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)s1 1648470027 DSUGQJMLOWEYHP-HNNXBMFYSA-N 432.571 2.161 30 10 IEEE CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1 1648885078 TZCIIEMJBQBZRH-UHFFFAOYSA-N 430.555 2.433 30 10 IEEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)c2)no1 1651134620 JAIWSEDAGBZNRM-LJQANCHMSA-N 440.481 2.461 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cnc(Cl)c(Br)c2)c1 1653698281 VXVZZKWMUIXDDF-UHFFFAOYSA-N 428.695 2.396 30 10 IEEE C#C[C@H]1COCCN1C(=O)NCc1cc(Cl)c(I)cc1OC 1680609477 ZOJDOSRMEHNYRQ-NSHDSACASA-N 434.661 2.497 30 10 IEEE C#CCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689941609 RRPFQRBEBOLTNB-REWPJTCUSA-N 442.564 2.142 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689991798 CNWYKCBLCSZFGN-FQEVSTJZSA-N 439.541 2.149 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690160017 UHDXNVVOIQEYGW-PKOBYXMFSA-N 425.558 2.377 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690430158 DXDULPHNSHRXQC-IRXDYDNUSA-N 449.563 2.208 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690750060 YOTKTKSCCKDAHG-SFHVURJKSA-N 444.609 2.370 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)C1 1690903983 CMCOZDUFBKVAOQ-XXBNENTESA-N 434.500 2.422 30 10 IEEE CC(C)N(CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1692483744 OTUXAUPZWKMZKH-UHFFFAOYSA-N 449.563 2.332 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@@H](C)O1 1693829571 AYTFAOKOWBAPEZ-GUDVDZBRSA-N 440.548 2.063 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1698010495 WQRCSFLWRXLCSM-LJQANCHMSA-N 442.520 2.012 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)cc1C 1698169811 IZKIPRKGNDLKCS-PXNSSMCTSA-N 428.537 2.154 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCSC2)c1 1705504760 CUDPEQRUTUOLSV-WMZOPIPTSA-N 438.557 2.039 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@]2(OC)CCOC2)c1 1705506846 KDABISSDQFLSJL-HSZRJFAPSA-N 425.533 2.338 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705513121 AVMMFWZPNYALIZ-UHFFFAOYSA-N 448.575 2.467 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1705561320 PAZHEZRBJJAUFQ-QFBILLFUSA-N 435.981 2.170 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705565024 RLOFOKACKMWUBD-LNLFQRSKSA-N 443.573 2.170 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1OC 1705593948 ZDBIXWIBOIIPBU-SIKLNZKXSA-N 438.528 2.477 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1705629436 IMVWOIFVLRLYAS-IBGZPJMESA-N 430.574 2.088 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2(O)CCC2)CC1 1705636569 PFXMLNPJDOBLMX-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1705701073 CBJWPNVNDWKDBW-SXGZJXTBSA-N 431.487 2.440 30 10 IEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705726605 VFQZKGIVFCWKSB-UHFFFAOYSA-N 443.577 2.001 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1705737953 GJLFMOWHWIROOE-GOSISDBHSA-N 427.549 2.332 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cscn1 1705895780 RWHLLLVMCJVJAC-UHFFFAOYSA-N 436.339 2.431 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C1 1705927367 XMMGGADRXKXFGY-NRFANRHFSA-N 442.560 2.395 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705930698 UAHXRIYAOVEKAX-LSDHHAIUSA-N 437.532 2.465 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705935581 WANPJCAFGZXKQE-QGZVFWFLSA-N 439.626 2.209 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1c(F)cc(F)c(F)c1F 1706850915 XBEZBHGKUMIXOF-NXEZZACHSA-N 448.446 2.231 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)CC2)C1 1709763170 BIECFQVBHNCPMI-LJQANCHMSA-N 437.548 2.437 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722329410 AGWXPMDMVRHCCC-CQSZACIVSA-N 429.322 2.335 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1722361350 MHRMVBLPVXOPDH-KRWDZBQOSA-N 445.495 2.237 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722362594 NTOWHRAGKLWOHI-NVXWUHKLSA-N 449.964 2.047 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN(C)C(=O)OC(C)(C)C 1722401158 NRYWCNWZOWKXDA-UHFFFAOYSA-N 439.564 2.470 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 1722431851 SUPQSCZUIDXVJY-VGOFRKELSA-N 445.564 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1722492291 DZWHZOGQUBSIKZ-YRNRMSPPSA-N 441.532 2.255 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722632827 JPJCRTLETDHQQA-CYBMUJFWSA-N 437.342 2.153 30 10 IEEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1728130223 XTWDFJPANRZXRP-IBGZPJMESA-N 434.610 2.042 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1730481459 PRILTAUSJDPDIM-GHMZBOCLSA-N 430.303 2.482 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC=CO1 1730759625 DGUYHLNDPQAGGB-SFHVURJKSA-N 445.545 2.408 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740583757 YOMOJOCDFKTDSF-INIZCTEOSA-N 429.322 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C(C)C)C(C)C)CC1 1740704393 NMNCYNLEFNUAJS-UHFFFAOYSA-N 439.608 2.368 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1740730717 GXIQPAKDOVUQSZ-YHYVQYDKSA-N 446.573 2.290 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1740743764 DLVVUJHGZCTMRP-CQSZACIVSA-N 439.358 2.075 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740875506 DYPCDRLSSNHVJJ-RBUKOAKNSA-N 430.597 2.318 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCN(C)C1 1740917292 NJYWDHQMISANLY-DEOSSOPVSA-N 447.543 2.185 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCC1 1747978188 RDJHWRYYNASUBT-GOSISDBHSA-N 444.561 2.070 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748818669 DDIADIBDHHHDET-QFIPXVFZSA-N 449.580 2.442 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1748971659 YKSHQDKKIIKBJF-MOPGFXCFSA-N 430.597 2.157 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(CC)(CC)C1 1749023453 SDZLLYDWLHWRMY-OAHLLOKOSA-N 445.680 2.367 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1749154423 SKMUVKXXXISOOI-UHFFFAOYSA-N 426.477 2.318 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749240013 SCJRQDGKAPTINV-MOPGFXCFSA-N 439.472 2.436 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc3O2)CC1 1749329163 HMLNTMUABRKQKN-WBVHZDCISA-N 447.561 2.131 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749596074 QMFMFUXROGUDSK-QGZVFWFLSA-N 440.470 2.242 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749664776 ZFEHMTPUJIAMBM-UHFFFAOYSA-N 445.527 2.041 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749738162 HQYFHLKPHRPCTN-QZTJIDSGSA-N 434.562 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](CC)C1 1749739342 AQSYZVGWJBLWEG-MRXNPFEDSA-N 438.525 2.212 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)[C@@H](C)C1 1749849816 QKXGVIPIRUWKQS-KBXCAEBGSA-N 430.459 2.298 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1750080808 BCPDDHGDTZIRJC-TZIWHRDSSA-N 441.532 2.112 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1750523824 DFQBZQSQUWPZOO-YEELPYMVSA-N 437.610 2.473 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2cncn2)nc1 1750792702 FUZWJRQTZWWXEY-GOSISDBHSA-N 448.535 2.019 30 10 IEEE CC(C)N(CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(C)C 1751207266 AUGBLOSNCZAOSL-KRWDZBQOSA-N 439.630 2.137 30 10 IEEE C[C@@H]1SCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1752464617 PQIMSWDRCLUCCA-MIKJEETESA-N 446.577 2.029 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1760109695 CLYOVQLNFLFCAB-CRAIPNDOSA-N 429.594 2.036 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1760252696 IRZJZFGCCZMEEJ-KRWDZBQOSA-N 433.553 2.473 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1760287129 HKVLYUIKVIVNHM-HSZRJFAPSA-N 426.565 2.299 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC1(O)CCOCC1 1760298084 VFNDHWOVYKJRMP-JOCHJYFZSA-N 426.517 2.399 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1760450532 MUJOSRGGTAOYMB-OALUTQOASA-N 438.594 2.168 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1760477531 CLUBAKMWAOXXKJ-XXBNENTESA-N 441.532 2.236 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1760529573 BFUMORVQFLJUJW-QZTJIDSGSA-N 433.459 2.288 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760534012 YQOIHKROXNVLFD-QRQLOZEOSA-N 441.532 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760549547 GTBUEEQNWHEHKH-MOPGFXCFSA-N 437.610 2.216 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1760806261 QGZMLUGACHCOSE-WJOKGBTCSA-N 440.573 2.175 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCO[C@H]1CCOC1 1764911571 DIRGGWYXXLBPTD-SFHVURJKSA-N 428.512 2.373 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCOC1 1767445964 BQAATOFQEJIBBF-UKRRQHHQSA-N 435.326 2.201 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H](C)O1 1769488467 FDKDSEACQXELJD-VQIMIIECSA-N 438.532 2.103 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1770138553 QNLXDYIMUBJOCJ-RBUKOAKNSA-N 441.488 2.374 30 10 IEEE CS(=O)(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1771366768 ARUBSGVUVJJVRH-UHFFFAOYSA-N 436.969 2.202 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1849201760 PLFHCABFRGIIAG-NRFANRHFSA-N 442.516 2.199 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(CC(=O)c3ccc(C#N)cc3)CC2)cc1F 1850490048 CTYJQSZFASVTCE-UHFFFAOYSA-N 434.475 2.287 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)nc1C 1851715296 NDAFKVSAXDCDCF-SFHVURJKSA-N 444.488 2.420 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)cnn3CC(F)(F)F)CC2=O)c(OC)c1 1852249943 RYRZCFOMKGPEAV-LLVKDONJSA-N 437.378 2.326 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(Br)cc1C#N 1852901688 VGEKIEUEMSWIDC-UHFFFAOYSA-N 432.278 2.346 30 10 IEEE COC(=O)CN1CCC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852987559 REGNILYSZAIOCB-HNNXBMFYSA-N 435.406 2.130 30 10 IEEE N#Cc1cccc(C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1F 1853184030 DDCGDCLGTXCHLR-UHFFFAOYSA-N 426.429 2.067 30 10 IEEE C=CCN1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C(=O)C12CCCC2 1856281148 CZOHTTIPNUDNDC-UHFFFAOYSA-N 434.558 2.419 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C(=O)C2)s1 1857508043 LCYXWPWRVXMQHH-AWEZNQCLSA-N 442.928 2.497 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 1858319074 UHJFPLRDVUUFIB-IBGZPJMESA-N 445.566 2.179 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862181371 MYJBIJKAWJZJTP-QUCCMNQESA-N 441.528 2.312 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862601873 OZCMMHKISQZYEX-BUXKBTBVSA-N 443.452 2.377 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695526 GONHNMZCIUQXRR-BUXKBTBVSA-N 443.452 2.377 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc2c(c1)OCCO2 1864448058 UUVRGSXNOJTBNW-CYBMUJFWSA-N 436.390 2.207 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccccc1 1866204110 KCYDVVXFXUYDHH-HNAYVOBHSA-N 433.443 2.312 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(O)c1 1874338860 ZWFHMMZRYBSOKS-IMQYADFFSA-N 444.561 2.209 30 10 IEEE C=CCOc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)N(CC)CC 1874431162 LTFJUYYZOCVGLA-YDZHTSKRSA-N 444.561 2.322 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874505347 HYWBJOBVKDLYOO-FSJBWODESA-N 439.497 2.413 30 10 IEEE C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889424875 GOHFYAJMNYFDCW-LJQANCHMSA-N 433.980 2.366 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4ccccc43)CC2)CC1 1889525493 ZEPPHFWXJAGIRH-UHFFFAOYSA-N 437.588 2.073 30 10 IEEE C#C[C@@H]1CC12CCN(C(=O)C1CN(c3nc4ccc(S(C)(=O)=O)cc4s3)C1)CC2 1891000720 ZDELFZVZRROELK-OAHLLOKOSA-N 429.567 2.398 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2023957360 FWPGONSVOSHLEF-MRXNPFEDSA-N 439.553 2.029 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060625628 MPZIWBVRPLATER-WBMJQRKESA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060636915 DNGJRKRSIYVTBV-SJORKVTESA-N 432.326 2.295 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2118170396 MJDXTQNDBKNWDW-OAHLLOKOSA-N 428.392 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141666799 BCCOFBKPWPXUKP-JKSUJKDBSA-N 447.341 2.392 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387155 OJLUYOCTICRSRJ-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247778251 ZEPNSTUBWCGXHE-CQSZACIVSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247825589 GUDMNCRVTITDBB-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247834054 QCEGUMDHYGLSGX-OPAMFIHVSA-N 425.363 2.447 30 10 IEEE Cc1c(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255531023 AHNMADHYEXHALX-ZDUSSCGKSA-N 436.362 2.061 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255630262 HZADCVTXZYCXGX-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633343 ZLJASTMPBMJTLK-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255636118 PVWFNKWNDSBHCB-STQMWFEESA-N 449.382 2.380 30 10 IEEE C[C@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2255818472 LNVRIHOGGPMRCO-WCQYABFASA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]2C1 2255863157 LOUSKEJBDPXWBW-GASCZTMLSA-N 431.342 2.253 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255884508 ZBXQIHJBGHIKRC-IAGOWNOFSA-N 432.326 2.008 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2256635877 LCBDVUUXTAZXBJ-UHFFFAOYSA-N 432.330 2.465 30 10 IEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258955739 SWURHOCQBMFFOC-IAGOWNOFSA-N 436.358 2.400 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2267240234 CWFNWOBCWGQPPU-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267592834 PCTDQAOLUKDLAP-ROUUACIJSA-N 446.353 2.316 30 10 IEEE COc1ccccc1[C@H]1C(=C(O)c2ccc([N+](=O)[O-])cc2)C(=O)C(=O)N1CCOCCO 2296946597 YOAIVUNEENTDDU-IBGZPJMESA-N 442.424 2.034 30 10 IEEE COc1nc(N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501140 CSDWWMJTSKHYLX-ZIAGYGMSSA-N 431.342 2.349 30 10 IEEE COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@]24C[C@H](O)C(=O)O4)[C@H]13 2333242414 TVCONGKEWSYBKD-KBVOTDOVSA-N 430.497 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339442125 BWSKKHBWCXBJDF-ROUUACIJSA-N 443.353 2.322 30 10 IEEE COc1ccc([C@@H]2c3c(nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1 72444808 HWGAJXJRRDRQLP-FAELENHSSA-N 437.500 2.493 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)CC1 446944785 AKTMLJBPXRHLRZ-UHFFFAOYSA-N 428.455 2.066 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCSC[C@H]1CCO)CCCC2 470213514 ITDOORLWQSLDCM-SJORKVTESA-N 432.590 2.156 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 478752365 DUYYJITZMZYVRW-GOSISDBHSA-N 438.549 2.220 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478755641 OANDEAMTFYTCSQ-KRWDZBQOSA-N 442.585 2.375 30 10 IEEE CC(=O)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F 486951331 ZOUFYSAWYYKQRQ-UHFFFAOYSA-N 430.461 2.438 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3=O)C2=O)cc1 487499138 LKHNADBTEHOCQB-LEWJYISDSA-N 431.496 2.154 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 499486696 CNIPLHZZPSLIFP-HNNXBMFYSA-N 442.882 2.383 30 10 IEEE CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503626657 JUSZLKDBBMXTJU-UHFFFAOYSA-N 440.525 2.100 30 10 IEEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 530376119 NKRSVIQMSNZJBN-UHFFFAOYSA-N 445.453 2.485 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1 533689300 FNHJJBWRFPEEIY-UHFFFAOYSA-N 439.487 2.266 30 10 IEEE C[C@H](C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1)n1cnc(C#N)n1 547385058 AVHGEBUQLPFYRY-GOSISDBHSA-N 430.516 2.109 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)C1=O 561534776 WJJDJLOVCGAEIB-FUHWJXTLSA-N 445.497 2.113 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2cscc2C#N)c1 576298589 CAYQIKUHAXVCDB-UHFFFAOYSA-N 428.333 2.399 30 10 IEEE CN1C(=O)COc2ccc(NC(=O)N3CCC[C@@H](NC(=O)c4cccc(C#N)c4)C3)cc21 585904078 MCFVZNJKRHXXBR-GOSISDBHSA-N 433.468 2.340 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 601121096 IJWFFVLBIQSSMW-QGZVFWFLSA-N 434.562 2.359 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 610810781 IJQWPWCHEBDJDM-RTBURBONSA-N 440.569 2.348 30 10 IEEE Cn1cc(C#N)c(NC(=O)N[C@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)n1 616096397 VVQAWPZKGSWGJS-DLBZAZTESA-N 438.488 2.097 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 670204484 WMSAKPMMJGFHCM-LJQANCHMSA-N 444.605 2.325 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 726178741 ARHZRGINKHJENZ-UHFFFAOYSA-N 433.537 2.185 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 728093539 ISTGCPMBZUPFLJ-AWEZNQCLSA-N 447.451 2.296 30 10 IEEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCN1C1CC1 732649544 KHWVPCPHBBQONH-WBVHZDCISA-N 432.471 2.339 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCc2cccc(C(=O)NC)c2)C1=O 740615864 AEEHQIKWNOYCRT-LJQANCHMSA-N 449.536 2.228 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3ccccc3OC)CC2)c1 747428890 SOWFQYFYZYJCJI-UHFFFAOYSA-N 427.526 2.006 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CCCC1 756912226 MFSZHIAROLAWGK-ROUUACIJSA-N 433.574 2.301 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(Br)cc2-n2cncn2)cc1 759171317 BAYAEJOJIXYXHT-UHFFFAOYSA-N 446.286 2.161 30 10 IEEE N#Cc1cc(COC(=O)/C=C(\Br)C(=O)OCc2ccnc(C#N)c2)ccn1 764580180 YEPVFTXPBCWAGN-APSNUPSMSA-N 427.214 2.285 30 10 IEEE Cc1cc(Br)cc2c1CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 775429789 LMCZCMUINIGWBJ-ISLYRVAYSA-N 433.306 2.352 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CCCN1C(=O)OC(C)(C)C 790690572 QJXWTBBVTGHNFU-YADHBBJMSA-N 434.537 2.169 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccc(C#N)c(Cl)c1 801142255 HAZXVTTUOLYRBE-HNNXBMFYSA-N 429.926 2.156 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802568172 QCSKCBRQAIRXJH-GOSISDBHSA-N 426.546 2.101 30 10 IEEE C=CCC1(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 810982587 UAAWCMPYEJABMN-UHFFFAOYSA-N 446.978 2.295 30 10 IEEE N#Cc1ncccc1COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 813168199 CSWNERRYCWCNGX-IPKRGXIZSA-N 439.471 2.476 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccccc3OC)n2N)c1 1084582793 PTBGKUJNPZBFKE-UHFFFAOYSA-N 427.490 2.186 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OC(=O)CN1CCC[C@H](C(=O)OC)C1=O 1124209270 ORLJAHDAHOROCN-LBPRGKRZSA-N 439.262 2.036 30 10 IEEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1128902111 JJZRDLSLMHGKIL-SQNIBIBYSA-N 426.473 2.001 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)n[nH]2)c1C 1136147780 RKJMDSXYPDGAEL-UHFFFAOYSA-N 442.545 2.093 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1 1136835666 BQZXPWGPPXOXEL-UHFFFAOYSA-N 428.485 2.107 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)CNc2ccc(C#N)cn2)CC1 1141271803 IEJLQODHFCXKRD-MRXNPFEDSA-N 441.557 2.110 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1141986513 IAYQPOYQXVDSEB-UHFFFAOYSA-N 448.277 2.261 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)cc1 1143043581 JSZBFKPLKMVCGV-UHFFFAOYSA-N 438.546 2.019 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)c1 1151966505 LGBXBSVGQKWLPB-UHFFFAOYSA-N 434.558 2.020 30 10 IEEE N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1F 1191346778 DYMWMBXRLIUQRA-UHFFFAOYSA-N 437.518 2.350 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1248375559 MNOHXIWDNCYIBM-YADHBBJMSA-N 429.480 2.314 30 10 IEEE CCn1c(NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)nc2cc(C#N)ccc21 1267000601 SWDWPSMFRQCBKQ-OAHLLOKOSA-N 425.489 2.447 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2OC)C1 1286340941 AMSMVTASWHCBBQ-IRXDYDNUSA-N 431.562 2.304 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCCn1cc(Br)cn1 1286359275 YKNGLWLBQJBQDA-UHFFFAOYSA-N 434.342 2.023 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCSC1 1286422003 IETGFZINTQLKAV-IBGZPJMESA-N 448.390 2.377 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286425576 PDHVVZUDZMGOIV-LJQANCHMSA-N 446.477 2.456 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Cl)cn1 1286446097 DKXRGNXVEQKVIQ-UHFFFAOYSA-N 439.955 2.462 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccncc2Cl)CC1 1286473622 VFJMHGUUBFVLRW-JOCHJYFZSA-N 444.967 2.171 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286504905 SKJINSOSAVYODK-JKSUJKDBSA-N 448.593 2.041 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1286521695 BUKXSYWEPJWTOJ-SIKLNZKXSA-N 428.558 2.389 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286561205 LZUWCTCKZCNNGH-ICSRJNTNSA-N 439.564 2.411 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286784535 KSDAVDWGCDHVLO-MRXNPFEDSA-N 428.512 2.272 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1286788298 UIUVIHOSRKFJFB-MJGOQNOKSA-N 438.580 2.379 30 10 IEEE Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)c1 1290047717 SPMBNVGVGJHPQC-MRXNPFEDSA-N 441.513 2.302 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNC(=O)C(C)C)n1 1290633665 RENVOOBNIOTHKU-QFIPXVFZSA-N 426.569 2.432 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1291629643 QOFOPZDWFPBUOD-SFHVURJKSA-N 439.564 2.439 30 10 IEEE CCn1c(S)nnc1[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1293164696 KNVBEFYUPWZCBV-LBPRGKRZSA-N 437.522 2.043 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1300402604 AUSNENSKXMVFKD-QGZVFWFLSA-N 430.553 2.478 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301059272 VJDXTWBNZSPFSX-XHSDSOJGSA-N 432.974 2.158 30 10 IEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1301302597 FWPMQCZADFKBFL-GOSISDBHSA-N 431.610 2.199 30 10 IEEE COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1301399772 PQRSGRSFSBDHET-ACJLOTCBSA-N 428.518 2.387 30 10 IEEE C[C@@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1303880029 DICHDDBRYLOCFQ-WOJBJXKFSA-N 441.492 2.337 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(-n3cncn3)c2)CCOC1 1314073144 BMKSSVSFQGUFBQ-VGSWGCGISA-N 436.520 2.298 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1314490031 HHAAULIJZOUTAK-UHFFFAOYSA-N 433.516 2.487 30 10 IEEE CN(C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1 1314671836 MPGZOIPHNIRBJE-UHFFFAOYSA-N 436.564 2.225 30 10 IEEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1357947099 GOVOYSZXTRABBH-UHFFFAOYSA-N 425.919 2.428 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1358941710 VCLFZEFQKWSFKV-KRWDZBQOSA-N 436.516 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1358984341 QUFFJDKUXMSWQF-KRWDZBQOSA-N 435.528 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358991436 AVGRKDOBZKCNJS-LJQANCHMSA-N 425.496 2.251 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1359000859 GJFOTLHVSSCQBD-QFIPXVFZSA-N 446.573 2.230 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359099243 LKVNQAIGZVKOOD-HCXYKTFWSA-N 438.594 2.167 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359122507 YCOFVHJVWSVDJJ-OAHLLOKOSA-N 439.532 2.489 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCCC2=O)C1 1359319187 URPMHKZNAQCOID-SFHVURJKSA-N 425.537 2.309 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359334938 VGTSXRNXNQJQPV-UHFFFAOYSA-N 432.594 2.253 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1360478602 MALIDDISLILQKJ-CYBMUJFWSA-N 428.447 2.039 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)s1 1452180216 UBMBPHAHHPJJJJ-MJGOQNOKSA-N 433.599 2.217 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CS(=O)(=O)c1cccc(Br)c1 1452946764 HMDPAWDFPHSBTI-QGZVFWFLSA-N 437.315 2.286 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)C1 1455706324 RQHSRCRZESWYLH-LJQANCHMSA-N 443.594 2.323 30 10 IEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OCC 1462504401 ZHOXKPCADHRHGO-LJQANCHMSA-N 438.546 2.110 30 10 IEEE N#C[C@]12CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@H]1CS(=O)(=O)C2 1463165537 WTCLKIXUNDZIFR-APPDUMDISA-N 425.297 2.189 30 10 IEEE CCCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCS(=O)(=O)C1 1463967353 IRSIGMPHPGNURN-INIZCTEOSA-N 440.363 2.183 30 10 IEEE C#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 1468297523 UFPYOPCYZIKJSE-HXUWFJFHSA-N 427.526 2.125 30 10 IEEE CCOC(=O)C1=C(CN2CCN(c3ccsc3C#N)CC2)NC(=O)N[C@@H]1c1ccco1 1473640010 FOUVOAIANOCFPJ-LJQANCHMSA-N 441.513 2.206 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2Sc2ccccc2)CC1 1477833615 APKAOGJBCWDRFR-UHFFFAOYSA-N 444.582 2.133 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1496372629 CVGRHHPTYOXCET-DENIHFKCSA-N 443.573 2.110 30 10 IEEE CN(Cc1ccoc1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503507150 YDMZENVQXWJFBW-MRCUWXFGSA-N 433.472 2.020 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncnn1C(C)(C)C 1504409900 HJYCJOLHILJPHW-KRWDZBQOSA-N 436.520 2.001 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1507564798 WYAHQCNRMLVQFR-LJQANCHMSA-N 433.622 2.438 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507622083 FPHRXHKDTDKDLV-SCTDSRPQSA-N 449.621 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(C)C1CC1 1507662684 MTWZIDVUYVMGJN-GOSISDBHSA-N 439.585 2.294 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507750181 LFIGYGBHGYDLJU-UHFFFAOYSA-N 429.550 2.159 30 10 IEEE C=C(C)Cn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1[C@]1(OCC)CCOC1 1507835109 LHCHBDRQZQJHDW-FQEVSTJZSA-N 431.497 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCOC1 1508135348 LNGKBLRQOLHYCJ-OAHLLOKOSA-N 442.488 2.372 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1508146950 FHDPLNZTUJKAAP-RTBURBONSA-N 432.546 2.308 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCC1 1518517386 CDRBJOPAUHDDMQ-QGZVFWFLSA-N 426.521 2.079 30 10 IEEE COCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1519398430 FHNUQKMVPQISTL-UHFFFAOYSA-N 430.509 2.189 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)C1 1519508531 IAXKLDHFAMGSKH-IBGZPJMESA-N 429.546 2.257 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1530219935 HLLIPERTVNRBKZ-LJQANCHMSA-N 443.548 2.411 30 10 IEEE C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)nc1 1531788332 ZZUNVLJRNPJVEU-ZFWWWQNUSA-N 425.407 2.056 30 10 IEEE CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CC#N)CCC(=O)OC)c1 1532448323 HBRXTOSEBPHJKQ-UHFFFAOYSA-N 429.498 2.431 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCOC[C@@H]1OC 1534049522 CCGWHMKEXURLIA-CJNGLKHVSA-N 427.295 2.266 30 10 IEEE CC(=O)NCC(=O)N1CCc2cc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)ccc21 1534974307 ZDPLWPJIJKXBBS-UHFFFAOYSA-N 446.507 2.019 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539119879 OFUOTHGKUNYDAE-SFHVURJKSA-N 425.537 2.101 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(C)C 1539266903 VFOYLQITDPZUJV-IBGZPJMESA-N 426.542 2.089 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccccc2)CC1 1539340228 JDOVDYOFTUOLJV-UHFFFAOYSA-N 437.592 2.088 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCOC[C@@H]2C)n1 1539424136 LXTUUFMGLPDAOQ-FPOVZHCZSA-N 449.559 2.495 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1539743801 RYOPIXWRKWNLBD-UHFFFAOYSA-N 426.565 2.104 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc(F)c(F)c2)CC1 1539828632 MWWDTVXVUPPYKG-AWEZNQCLSA-N 441.504 2.402 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1539916599 LOSQENMEPOBFNV-IRXDYDNUSA-N 433.582 2.216 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540004675 DNYCYEUMBCMLMR-IERDGZPVSA-N 434.537 2.383 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1540875845 ZPXQGIBDHLGXHP-KRWDZBQOSA-N 437.903 2.487 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC[C@@H]2C)CCOC1 1541733607 SNVMNPCEWLMJBZ-SXWKCWPCSA-N 446.596 2.312 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C(C)(C)S(=O)(=O)C2CC2)n1 1546216558 XOURQAGDXUKTCL-UHFFFAOYSA-N 427.577 2.094 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1548258023 ZQVXZLVIEHEWPW-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE Cn1ccn2c(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)nnc2c1=O 1565268399 MVXORZMOBJZVPM-UHFFFAOYSA-N 445.458 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1cc(O)nc(S)n1 1583372608 GVTXBGWBXGBZEM-QGZVFWFLSA-N 441.513 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1587581130 WKGUEJZDDLEFBB-HNNXBMFYSA-N 447.561 2.331 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 1587904597 KZVMTMHOPHPZTK-UHFFFAOYSA-N 444.967 2.042 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1588045002 FFCTZJFYLCBDLJ-SFHVURJKSA-N 443.573 2.174 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588049647 KGGBJNXOVZDSBP-HXUWFJFHSA-N 433.622 2.438 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1589068471 CAJFQJXYZPWHKF-BRWVUGGUSA-N 435.594 2.498 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1593764039 VJRDJYLFACDHAA-CTNGQTDRSA-N 439.560 2.455 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1594009213 IOYCVBNUSKVPJK-NRFANRHFSA-N 438.576 2.474 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](O)c2cc(OC)ccc2OC)cc1 1595032399 VREAVNOIOSFCNB-VLIAUNLRSA-N 434.514 2.020 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C=C)CC1 1595497236 UUKYRDFIINNHSN-UHFFFAOYSA-N 429.546 2.053 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1611613057 LCGZNSCJLQYCRD-STZQEDGTSA-N 434.560 2.493 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1611790547 GUPXIDBEUCDPCX-IEBWSBKVSA-N 438.532 2.246 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1619622634 QPLKFZZYGBMNJH-RTBURBONSA-N 428.512 2.355 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCCO3)n1CCOCC(F)F)C2 1620349462 MKFAAQKDBXKJRZ-MRXNPFEDSA-N 434.447 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1620474237 FASREJUTFDKPFZ-FQEVSTJZSA-N 447.580 2.380 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)C(=O)/C=C/c3ccc(F)cc3)C2=O)c(OC)c1 1623605754 GOQHFKQNXUSNSJ-CEQQRPIWSA-N 426.444 2.343 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 1628399327 RJIAGEWJZCIOSA-QGZVFWFLSA-N 435.864 2.312 30 10 IEEE C#CCCN1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1631720222 SLSOYFUBPUKUNO-SFHVURJKSA-N 430.553 2.021 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1632373727 QGVJXSVDELJBCK-LJQANCHMSA-N 433.574 2.114 30 10 IEEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OCC 1635699230 ROOBRISDRHTHOH-KRWDZBQOSA-N 426.510 2.241 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C1CC1)[C@H](CO)C1CC1 1637229585 GQNJZPBRJRUSCY-WSTZPKSXSA-N 433.574 2.197 30 10 IEEE CS(=O)(=O)c1ccc([C@@H]2CN([C@H]3CCN(c4sccc4C#N)C3=O)CCO2)cc1 1643948082 FWOJKLKMWJWPMY-ROUUACIJSA-N 431.539 2.202 30 10 IEEE C[C@@H]1NC(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)=NN(c2ccccc2)C1=O 1651184581 GPNDRKJPMUVBSP-HNNXBMFYSA-N 426.326 2.410 30 10 IEEE N#Cc1csc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)n1 1652904090 PLSQDOSEFKOEDO-ZDUSSCGKSA-N 440.934 2.055 30 10 IEEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1654002398 WCALZVNLBMBNFG-UHFFFAOYSA-N 425.554 2.018 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)CCN1Cc1ccccc1 1661509536 QNKXLDFACOVZPT-CQSZACIVSA-N 441.376 2.445 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccs2)ccc1Br 1661899596 HYVNHKDDCPZOQB-CQSZACIVSA-N 426.317 2.244 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1674887538 HZUCUWNKNSTNJN-CQSZACIVSA-N 448.372 2.438 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccc(Br)cc1 1686919991 QKGJWQWVCHQEJL-SFHVURJKSA-N 435.366 2.319 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689989316 DBUJVSFSBWOECE-RTBURBONSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1690026703 ITEUNDVBAIDQLK-GOSISDBHSA-N 427.936 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2-n2ccnc2)CC1 1690152545 OXSYTSZQRHFLQY-UHFFFAOYSA-N 447.543 2.014 30 10 IEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1690228741 DVCFHSJRBVIDAI-BBRMVZONSA-N 448.321 2.414 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1690421055 WNIOUYUDMAYREJ-MRXNPFEDSA-N 425.599 2.498 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690480428 INTRLVDYHGDJAV-UHFFFAOYSA-N 440.596 2.216 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1690510913 JISINZRHQFQKFK-HXUWFJFHSA-N 427.549 2.279 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1690513843 LGKNKZDQKHBWLZ-QFIPXVFZSA-N 442.951 2.495 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1690578131 RBAXBZMNTNSACT-WMZOPIPTSA-N 430.578 2.204 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC(C)C)C1 1690709818 LHOVOAFADWBDTO-LJQANCHMSA-N 437.548 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](SC)C1 1690724155 JCVLTCDFKWIOED-IAGOWNOFSA-N 428.624 2.495 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1694325368 CRDIGVCUHFSALR-JOCHJYFZSA-N 447.559 2.430 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccc2F)n1C[C@H]1NC(=O)CC1(C)C 1698062734 GTZSDYBZQZJONV-GOSISDBHSA-N 428.512 2.289 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705522652 KIRLGMPVWCWEQY-OALUTQOASA-N 446.596 2.436 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1705524781 SCCAMEJSIREQPX-VGOFRKELSA-N 443.573 2.328 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705566892 RJEFMVPIVKNGPD-GOSISDBHSA-N 439.541 2.151 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1705630942 LYZYDHFUASTXNT-ROUUACIJSA-N 434.585 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(N(C)C)CCOCC2)CC1 1705637369 UKGVLLGHBUOSSO-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)CCCS2)CC1 1705647256 BJKQWZGVTAOHEN-XMSQKQJNSA-N 431.606 2.424 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705664082 JUGVMIJLDFVKRB-SFHVURJKSA-N 441.557 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(C)=O)CC1 1705695075 VENGNXBJRLFKFS-XLIONFOSSA-N 446.596 2.283 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1705717656 OXRZOOZCYKOGAP-KRWDZBQOSA-N 439.582 2.061 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705761876 DHKGCNNHTLXMQW-BZSNNMDCSA-N 436.944 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705903868 XHXPHFLTMQVZKZ-INIZCTEOSA-N 426.521 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](COCC)C1 1705936511 SATZYJGJWGSCII-QZTJIDSGSA-N 426.583 2.373 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC(C)(C)O1 1708233769 AYJYMDNSKWBCEB-INIZCTEOSA-N 426.521 2.211 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC)OC 1709520598 FEDVDZVLRPVTFX-OALUTQOASA-N 426.521 2.259 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1722297155 XXVATTLHNNHTPQ-HOIFWPIMSA-N 435.569 2.451 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722363631 ASVSTQLZLRPVIL-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3ccc(F)cc23)CC1 1722429450 MHZZFENLYYXTGV-UHFFFAOYSA-N 437.523 2.035 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1722437506 UMPCGKNZAMXVOB-WZONZLPQSA-N 443.979 2.488 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722454431 CGSNIRQUPVLCSI-UHFFFAOYSA-N 429.571 2.197 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722460823 ZMOJJSWZYCGOFH-SFHVURJKSA-N 430.578 2.157 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558793 YXMIHPYUPGGWJD-MAUKXSAKSA-N 432.974 2.085 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(F)(F)CO1 1722863105 OKQVEAOXDKSXBJ-HIFRSBDPSA-N 439.488 2.369 30 10 IEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1723652100 GKQMWDBAUILADJ-UHFFFAOYSA-N 433.516 2.105 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1724236013 SEXJXDXYMSLGGK-LAUBAEHRSA-N 446.552 2.045 30 10 IEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1726732425 DYWDJNUXMHDQFX-LVCYWYKZSA-N 435.532 2.045 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729915070 KUCRUVBBCQQMRW-GNDBUYPCSA-N 440.504 2.378 30 10 IEEE CS(=O)(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1731005293 OUDXXQIEFXKZBU-AQNXPRMDSA-N 443.573 2.350 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccco2)C1 1731179714 FYSJADYZYOEBEM-IBGZPJMESA-N 429.843 2.458 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1731188250 CQLYMWVTPWEJSF-NWDGAFQWSA-N 428.440 2.424 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740586120 PDLLCYSMHZPMBQ-UGKGYDQZSA-N 435.576 2.132 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1740602672 YRLSRGVKMTWALW-UHFFFAOYSA-N 432.322 2.026 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1740618915 DDDCLXPKTCKKSE-KRWDZBQOSA-N 430.530 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2cccs2)CC1 1740705114 AYASTRUVCYGHSS-JOCHJYFZSA-N 429.590 2.412 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1740765586 ALEWYJVSYRQSDX-TZIWHRDSSA-N 444.624 2.301 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1740801508 BEOIHUQKQLYEQR-HNNXBMFYSA-N 426.949 2.139 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C[C@@H]1CCCO1 1740960767 ZYCUUJUPHOOUDK-QFBILLFUSA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC2(CCOCC2)C1 1740964148 JFZFZNOEMRFSHO-UHFFFAOYSA-N 425.533 2.475 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1741802253 HJNQSTLQSJFEKB-JSGCOSHPSA-N 435.330 2.017 30 10 IEEE CNC(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1748273532 HRVIPINUPVKTMT-QGZVFWFLSA-N 445.568 2.269 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1748746086 ZYVFVLHNBMFPNG-KRWDZBQOSA-N 426.521 2.483 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1748751807 MLHFRJKMNNDZBF-GOSISDBHSA-N 443.552 2.333 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749131811 WAFWOBIFKBGCRQ-LNLFQRSKSA-N 438.594 2.167 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1749677298 VFOPECVHKRAMOH-ZWKOTPCHSA-N 444.580 2.272 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1750052102 CZZVQZDJDPUCLT-HXUWFJFHSA-N 441.532 2.276 30 10 IEEE Cc1cc(C)cc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1751405117 BVJVYXJZINFBRO-IRXDYDNUSA-N 434.566 2.180 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCS1 1752318224 GNBRENMSMFRXJA-INIZCTEOSA-N 426.546 2.007 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC=CCO1 1760100669 CXFVMRPRFKOTSJ-NVXWUHKLSA-N 428.562 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1760120289 KIHIOENWNHEKJM-GOSISDBHSA-N 449.559 2.113 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCS(C)(=O)=O)C1CC1 1760155317 VLLFBFWFMKHVII-IBGZPJMESA-N 430.530 2.217 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760156136 WIGYMNUWUDITAW-IBGZPJMESA-N 440.548 2.407 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760187777 GKYRZUJJUKMADU-QGZVFWFLSA-N 443.504 2.118 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H](C)CN1CCN(CC)CC1 1760199622 BWHLYTXWCHYFMQ-OAQYLSRUSA-N 434.588 2.300 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760262317 LPMLMWLBEMWAOY-NTKDMRAZSA-N 425.577 2.430 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1760295078 MYTPYRMXNDJCRB-HRAATJIYSA-N 432.521 2.368 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760450966 WOEFJOMXBRWCDP-PGRDOPGGSA-N 430.553 2.250 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1760848910 RVFVKPASQXZYJH-KRWDZBQOSA-N 432.475 2.449 30 10 IEEE CC(C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1760892444 XKOSISUMAHULJQ-CZIZESTLSA-N 444.536 2.050 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1761360190 HRTPOFHSRSGQNF-ZFWWWQNUSA-N 449.357 2.407 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)C1 1761547814 DLJWNPGADGPOKZ-VXKWHMMOSA-N 436.541 2.488 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H](C)O1 1763089150 GPAVWOODLKIDIN-HZPDHXFCSA-N 429.546 2.255 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCOC)CC1 1767099510 BJHOYVJUMFAPRS-IBGZPJMESA-N 425.581 2.315 30 10 IEEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cn1 1767471289 BXIXJCPTLBFATN-IBGZPJMESA-N 439.545 2.002 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1767943384 CXJXXIAWVXZFDZ-SFHVURJKSA-N 437.548 2.437 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1769745874 HZCWBWYWOKZMLP-UHFFFAOYSA-N 436.520 2.349 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1769996011 VAMRDYDHWJROFF-HRAATJIYSA-N 440.483 2.073 30 10 IEEE COCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771048574 ODNBNINCNUUJCZ-SFHVURJKSA-N 426.521 2.175 30 10 IEEE Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)c1 1850853237 QCOVCQGTDPHCKC-UHFFFAOYSA-N 426.542 2.145 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(CCC#N)CC2)c2ccccc2)cc1 1852649894 QGHDRPKCBPERLF-NRFANRHFSA-N 426.542 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CCOC(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1853235072 FQRQUQZVVFCQAD-UHFFFAOYSA-N 431.489 2.315 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3Oc4ccccc4C3=O)sc2c1 1866223819 JYJLVEJZAZMOKJ-KRWDZBQOSA-N 429.479 2.343 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1 1868739984 YDYMLFKRDWVYLV-AWEZNQCLSA-N 428.938 2.218 30 10 IEEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(C#N)nnn2-c2ccc3[nH]ncc3c2)cc1[N+](=O)[O-] 1870158748 MRLQWQMZZUWJGG-UHFFFAOYSA-N 433.344 2.392 30 10 IEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(CC)CC2)cc1=O 1870561170 BVDYMWAWUGBJLA-HSZRJFAPSA-N 438.572 2.006 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706717 BFWHUDVMGCRHEL-INIZCTEOSA-N 441.492 2.145 30 10 IEEE CCOc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 1873528917 KGHGISDDNLOWJT-PCQWDSEFSA-N 440.909 2.110 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3)n2N)nc1C 1874543514 GLFVJDNNDFJGQX-UHFFFAOYSA-N 430.515 2.497 30 10 IEEE COc1cc(/C=N/n2c(S)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc([N+](=O)[O-])c1O 1874565940 CWONPYCHYWQXMY-NPLBWUPPSA-N 434.478 2.186 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)CC1 1889328461 CYMQYCBMGUOJFY-UHFFFAOYSA-N 437.535 2.008 30 10 IEEE CN(c1ncc(Br)cn1)[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 1890825363 KWFIQBNMCVAFJP-HNNXBMFYSA-N 436.335 2.400 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c1 1891622517 ZSCBVRWNOHZBBW-UHFFFAOYSA-N 442.458 2.243 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CCS)C(=O)O)CCN(Cc2ccccc2)C1 1984835833 NAJKUFCXTCEKQQ-IIBYNOLFSA-N 437.562 2.045 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2011680354 JDTMDIVSRPUFJX-CVEARBPZSA-N 439.553 2.334 30 10 IEEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2[C@@H]2COC(C)(C)O2)cc1 2033814116 LJKLYLHSOLIBMV-ZFWWWQNUSA-N 431.470 2.499 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073754331 MBABFUGXFWMHMY-JLQALSLYSA-N 436.358 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124534407 HVSPTBGJDVSSKR-PMPSAXMXSA-N 444.341 2.217 30 10 IEEE N#CC1(CS(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)CCCCC1 2174779811 NHBTUWHTDRDPIZ-IBGZPJMESA-N 435.546 2.417 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224100314 PATVRVMODGTXEB-INIZCTEOSA-N 432.374 2.344 30 10 IEEE CON(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2248416648 WXGPCVGDEPGIHE-UHFFFAOYSA-N 425.266 2.257 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 2248484013 SLSDOFIJHOMYMG-GOSISDBHSA-N 430.501 2.423 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2250815174 BZKUOZDUJKDWSW-CYBMUJFWSA-N 449.495 2.189 30 10 IEEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874457 VJOPULLYCGZFFS-ZBFHGGJFSA-N 433.358 2.452 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255879543 QRMQVXBWDCWPGZ-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267127881 VARGNTLSMCOUBT-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267139553 IBFJNKBWJZBHNR-HIFRSBDPSA-N 448.373 2.378 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(Cc2ccccc2)C1 2267161936 JAWNKZLGSMZPNH-IEBWSBKVSA-N 436.365 2.416 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167210 CMMPEOUEXDOYFB-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(Cc2ccccc2)C1 2267184716 OGGZWTBVKRWMNX-IBGZPJMESA-N 438.381 2.456 30 10 IEEE Cn1cc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267185866 BGYUKRUSWTTXSU-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267271343 RHEGGSQDGSIFGO-SFHVURJKSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267483497 TXNRCNQAUSVIIM-DMZKTXOQSA-N 447.316 2.259 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2267567019 HJJGWAWNLILENK-ROUUACIJSA-N 447.385 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CC2 2267882941 YQJMPPZKKPKXLI-CQSZACIVSA-N 444.341 2.048 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268653890 SMOAADWMDBAEIU-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@H](N)C#Cc2cccc(Br)c2)C1 2278791137 WYXQVVVWBRWCQR-CVEARBPZSA-N 443.363 2.162 30 10 IEEE CCOC(=O)C1=C(C)NC(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)C1=O 2294034679 UWZUDVHDMVROKW-UHFFFAOYSA-N 437.452 2.193 30 10 IEEE COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2339739346 QZSSWFJPFRRBTE-UHFFFAOYSA-N 448.325 2.227 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccc(N)cc1 59879562 XAJKPSGBKUWPPS-SSDVNMTOSA-N 429.510 2.138 30 10 IEEE C=CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)Cc1cccc([N+](=O)[O-])c1 63381212 SQYKDMXMRKUHNU-SFHVURJKSA-N 447.517 2.086 30 10 IEEE N#CC1(NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@H](c2ccc(F)cc2)C(F)(F)F)CC1 142004150 NOTSCKFHTQJLMM-JKSUJKDBSA-N 447.454 2.384 30 10 IEEE N/C(CCCNC(=O)c1cc(I)ccc1Br)=N/O 236321509 QDNDIPUUSOXWCQ-UHFFFAOYSA-N 426.052 2.310 30 10 IEEE C#CCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 250643339 IJFSJCBCRLVRQD-DOTOQJQBSA-N 431.539 2.141 30 10 IEEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccc(Cl)cc3Cl)[nH]2)CC1 253566379 IVQIKYGMLGZTRX-DJKKODMXSA-N 428.349 2.424 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 301286930 LZMPECKALHUXAD-UHFFFAOYSA-N 425.436 2.207 30 10 IEEE N#CCN1CCC[C@H](CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 436970601 GFIRCYPGUAUPIG-CQSZACIVSA-N 434.543 2.220 30 10 IEEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 438751676 IYHOAFRFPLAIKM-QZTJIDSGSA-N 430.530 2.075 30 10 IEEE N#Cc1ccc(OCCNC(=O)CN2C(=O)COc3cc(Br)ccc32)cc1 460272465 AEJZOJPROCAUSZ-UHFFFAOYSA-N 430.258 2.241 30 10 IEEE C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)NC(=O)NCC(F)(F)F 468755768 ADOCLVSJJIISPH-GFCCVEGCSA-N 425.411 2.458 30 10 IEEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 473322914 FALCHVDNQOKBMN-LJQANCHMSA-N 449.511 2.190 30 10 IEEE COCCN(CC(=O)N(CC(C)C)CC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 475763356 XPVQODQPYSMAAU-UHFFFAOYSA-N 435.468 2.242 30 10 IEEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 504869647 NVCNGAPOBKPULW-AEFFLSMTSA-N 447.561 2.109 30 10 IEEE CN(C)CCn1ncc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1-c1ccccc1 504924152 NQAHEALERITADZ-UHFFFAOYSA-N 429.528 2.341 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C 508560485 BDRPJCZTHAWFSR-UHFFFAOYSA-N 427.310 2.176 30 10 IEEE C[C@H](C#N)CN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 533137849 GCZPSUCITZYNQC-BRWVUGGUSA-N 434.562 2.047 30 10 IEEE N#CC1(c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 538547785 CJXFWRRPGSBAJX-UHFFFAOYSA-N 425.510 2.193 30 10 IEEE COc1cnc2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549212341 INESVJULCNMLAN-UHFFFAOYSA-N 436.493 2.262 30 10 IEEE C#CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152268 FQFQKJRHAXXKJQ-UHFFFAOYSA-N 442.493 2.375 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC1 604470873 DPPWFTWCLLRLHT-WERVVEIQSA-N 445.564 2.260 30 10 IEEE CCOC(=O)CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617056918 IVDQRJYJFQKMNB-FQEVSTJZSA-N 426.517 2.424 30 10 IEEE CN(CC#N)C(=O)c1cc(I)cc(I)c1O 706355950 YBVBTXNHGMELEO-UHFFFAOYSA-N 441.994 2.197 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)Nc3ccccc3)sc(=Cc3ccoc3)c2=O)cn1 727418251 XJAFPBLQFCNQRT-UHFFFAOYSA-N 444.472 2.037 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2CCCC2)cn1 730144030 GYTAFRQJPDSDAY-GOSISDBHSA-N 434.610 2.483 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CCN1Cc1ccccc1 733946751 NNWFZHWLVKAUCX-OAHLLOKOSA-N 438.431 2.225 30 10 IEEE Cc1ccc2c(c1)C(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)CCCO2 734750831 GDUPLZXZEJJBRC-UHFFFAOYSA-N 429.546 2.315 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1cccc(C)c1 735069047 LCFUJUCONQNWOJ-UHFFFAOYSA-N 449.580 2.233 30 10 IEEE CCN(CC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)C(=O)OC(C)(C)C 746331598 HLIPPULWYNVCGT-FMQUCBEESA-N 434.537 2.399 30 10 IEEE CCN1CCN(c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2)CC1 754378854 HYZWRQBRIAMREQ-HXUWFJFHSA-N 427.549 2.414 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C)c(C)c2)C1 760296936 SFOMDXVZTCNXQK-IAGOWNOFSA-N 431.562 2.175 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2cc(C(=O)O)ccc2Br)cc1 761308400 SKIDTQLIGCBPBJ-UHFFFAOYSA-N 425.260 2.376 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2Cc2ccccc2)cc1 764981585 QRDHQRQFAGACBK-UHFFFAOYSA-N 440.528 2.386 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c(C)c1 774258211 ACNPKRPWEXUUTJ-SFHVURJKSA-N 434.606 2.464 30 10 IEEE Cn1nnc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)n1 782982360 UOLVTFPWALONPZ-KRWDZBQOSA-N 446.496 2.242 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCCN(C)c2ccccc2)N(CC[C@H]2CCOC2)C1=O 784123023 ANMJHCMEZIZODB-OTEBAESWSA-N 432.590 2.376 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CC[C@H](OC)C(F)(F)F)C1=O 786688136 NWZUIUAZLWCVHM-RYUDHWBXSA-N 434.440 2.125 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)=NO1 788636134 ADYVXCDUHXYGJG-CQSZACIVSA-N 431.468 2.016 30 10 IEEE CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1C 788708116 RIHDPSPOBFZMJX-HXUWFJFHSA-N 439.582 2.223 30 10 IEEE COc1nc(Br)ccc1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 789380945 HDBZIFHYDCZPME-LLVKDONJSA-N 432.282 2.257 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 790764606 ABABBAQCCWHEEB-DVECYGJZSA-N 448.608 2.487 30 10 IEEE C[C@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)n1cnc(C#N)n1 798354598 YEMLRGPIMREKEL-CYBMUJFWSA-N 429.433 2.281 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CCN(C2CC2)CC1 800781898 CYQYJKYAHZDOAL-UHFFFAOYSA-N 444.605 2.446 30 10 IEEE CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1 807937365 BHXFVSXJROWPGB-SFHVURJKSA-N 442.545 2.403 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CCc2cccnc2OC)C1=O 809941709 HFXHJPWXEAENLJ-KRWDZBQOSA-N 428.514 2.409 30 10 IEEE C#C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 812353165 HTGSYIKMMLDYIO-IBGZPJMESA-N 433.917 2.410 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812914605 ROABTGVINAVIJB-SFHVURJKSA-N 447.488 2.351 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CC1 1128333391 PMFPREYBRJLYDU-FQEVSTJZSA-N 443.544 2.119 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3CO[C@@H](CCC(=O)OC(C)(C)C)C3)CC2)c1C#N 1129372489 JXSZTPQWIYQMKQ-CVEARBPZSA-N 434.562 2.499 30 10 IEEE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)NCCOC(F)(F)C(F)(F)F 1133349788 YFDXIBVATDRNFU-UHFFFAOYSA-N 433.236 2.321 30 10 IEEE C=CCn1c(SCC(=O)NCC(=O)NOC)nnc1-c1ccc(Cl)cc1Cl 1134635067 PYRGNFCMAIJSAR-UHFFFAOYSA-N 430.317 2.324 30 10 IEEE C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1138078721 IMNRQOZYUCZCMO-UHFFFAOYSA-N 427.242 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCC(=O)N=c1cc[nH]cc1 1143615176 KNYKNYFTGVEGPZ-OAQYLSRUSA-N 449.511 2.354 30 10 IEEE CN1CCN(c2ccnc(NC(=O)COc3cccc(Br)c3C#N)c2)CC1 1151288893 CMFXDENSKBHMGG-UHFFFAOYSA-N 430.306 2.485 30 10 IEEE C=C[C@@](C)(O)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1157735643 IWEMHNXJAVHPRK-OAQYLSRUSA-N 427.542 2.240 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](CO)CN2CCCC2)c1 1160327971 DWJHYWBDKDQJTP-LJQANCHMSA-N 438.553 2.476 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(F)c1 1164539486 OODGMXHEQFOAFW-VXPUYCOJSA-N 446.479 2.383 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1182453869 IERHRDFAIQKVCZ-OAHLLOKOSA-N 443.533 2.193 30 10 IEEE N#Cc1cn(CCNC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(=O)nc1O 1220682707 BPOCECXTMQZPSH-IBGZPJMESA-N 442.479 2.433 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1286298764 OWGGKRWQJSOFOD-LWYYNNOASA-N 435.638 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC1 1286421542 PUYHTTKTSPWQOL-UHFFFAOYSA-N 434.500 2.181 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOCC1(C)C 1286431318 VQTQVGMXQCOGEK-UHFFFAOYSA-N 445.571 2.090 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCCC2)CC1 1286485269 HKJGTDVGBZFOCX-NHCUHLMSSA-N 428.625 2.438 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1286566134 MDFZBJBJPZRPNE-NRJQMVOHSA-N 438.532 2.410 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1286726937 KWLZPNATCWEHQA-HNNXBMFYSA-N 427.571 2.107 30 10 IEEE CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1287159531 CFEVLWNUZKLOOK-RTBURBONSA-N 430.578 2.016 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCNS(C)(=O)=O 1288507887 PPYNYUUYWLJXNM-KRWDZBQOSA-N 430.578 2.426 30 10 IEEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1291012956 HBQGULWYYUTEQO-OALUTQOASA-N 435.576 2.463 30 10 IEEE Cc1c(S(N)(=O)=O)sc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1Cl 1292404861 GMSOFFSHXGPRHC-UHFFFAOYSA-N 440.978 2.433 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C 1297652482 ATRVOFNBKYSGCF-OAHLLOKOSA-N 441.561 2.166 30 10 IEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 1298037524 IEUVYTOTRFROJC-FOIQADDNSA-N 431.541 2.207 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc1OC 1299023912 AKQGIKYXZIGDBI-GPXGYGPYSA-N 448.541 2.243 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cc1 1299280697 GMQVTLUCQMRBGJ-QFIPXVFZSA-N 426.494 2.401 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300367463 DCWOKIWKVRKYER-KRWDZBQOSA-N 438.561 2.266 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300409317 HJYQVGQSRKEEPJ-LJQANCHMSA-N 443.573 2.015 30 10 IEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1nnc2n1CCCCC2 1300545635 UMHNGYRPJCUBTA-UHFFFAOYSA-N 429.528 2.339 30 10 IEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CSC1 1300608259 XGBIHQQABNODSY-ZIAGYGMSSA-N 442.990 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@H](CO)O1 1300656739 AUZKCZOQICTCGD-ZWKOTPCHSA-N 449.349 2.334 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1sccc1Br 1300663634 GGXFLLJCCYTUEJ-ZDUSSCGKSA-N 438.351 2.188 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC[S@@](=O)C(C)(C)C 1300673471 LOHIAIIWAAGWCN-WJOKGBTCSA-N 442.589 2.150 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300754104 IFAGFGXNGSBBEV-QGZVFWFLSA-N 440.573 2.360 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](CC)C1 1300830036 CHXGTEDLHZUKBI-VXGBXAGGSA-N 438.417 2.129 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301207424 WDDFCYLCFLKKBJ-IBGZPJMESA-N 440.573 2.491 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301490975 JSHOFOCCNJCVSD-UHFFFAOYSA-N 439.907 2.371 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1301973197 CCSFFMXMIZYBKP-AWEZNQCLSA-N 426.912 2.271 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCOCC1 1301975034 SHKAQDNKSGIKHM-LJQANCHMSA-N 436.564 2.225 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1312354504 ZDZHQILBTYAKGJ-UHFFFAOYSA-N 433.221 2.406 30 10 IEEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)SC)CCOC1 1314124224 UTAYBMIZNKCPLT-SPLOXXLWSA-N 444.561 2.217 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC=CCO1 1314226820 WWVCLPQPMRHDCZ-QZTJIDSGSA-N 425.489 2.330 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cc(C)nn1C 1314388731 CGNYGBGLBRYRNK-UHFFFAOYSA-N 438.511 2.242 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCNc2ccccn2)c1 1316530798 YGGSBBAXGWUHSW-LJQANCHMSA-N 430.516 2.416 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1320075489 AMXKCZXWPUVQTJ-CQSZACIVSA-N 442.497 2.486 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cc(C)c(C#N)cn4)CC3)cccc2c1 1353393117 RJQDHUJFZRQOAH-UHFFFAOYSA-N 435.509 2.265 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358910213 HUFIQKOIZYYNGD-OAQYLSRUSA-N 435.576 2.195 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1358953672 FIGFPVWJASGXFW-HNNXBMFYSA-N 432.937 2.281 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1358976517 HILKGSKTQKSVBO-UHFFFAOYSA-N 440.511 2.091 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCCCN1CCOCC1 1358981442 KHIZYRNIODVJKV-UHFFFAOYSA-N 430.556 2.466 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)nc2)CC1 1359032195 GGYKGMKYTRZMIO-UHFFFAOYSA-N 436.951 2.258 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359104612 DHXYZQFNBGPAJP-QNLWLWTNSA-N 447.580 2.002 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359150977 JXPPIJCEQLHDGT-HOTGVXAUSA-N 428.928 2.301 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)OC)c1 1359278456 VJSAGGGFAZDSTG-UHFFFAOYSA-N 442.520 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1359295679 KMJMLLFHHFHIAZ-QGZVFWFLSA-N 433.520 2.016 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359305307 ZSKOAJJHFJZNEI-IBGZPJMESA-N 449.559 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)C1 1359313198 IHRGXJSPGUSRMI-FCGDIQPGSA-N 433.553 2.392 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCC[C@H]1CO 1359702846 KBJUAQPQWAHREF-IBGZPJMESA-N 439.564 2.173 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1360287220 FSPJXIKDUZUMDI-UHFFFAOYSA-N 444.561 2.003 30 10 IEEE C#CCOc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1443946578 RINLBFATHSXHHP-ATZDWAIDSA-N 448.541 2.307 30 10 IEEE N#Cc1cc(NC(=O)C2(CC(=O)N3CCOCC3)CCCC2)ccc1N1CCC(O)CC1 1446023484 MGYLSQDEBQUVJJ-UHFFFAOYSA-N 440.544 2.267 30 10 IEEE CCOC(=O)Cn1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1452590944 NFBFDAIERPOJEP-FAGJFJLWSA-N 431.493 2.172 30 10 IEEE C#C[C@H](CO)NC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1467285387 ZTELWCWUORWFJZ-CQSZACIVSA-N 432.274 2.243 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1470234968 NKNYBLZSRNNHAO-INIZCTEOSA-N 431.489 2.230 30 10 IEEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1 1473620377 HHLWFDWBEWEXBB-NTKDMRAZSA-N 436.556 2.061 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1494878620 HBUFQPPOKHCFIP-RVHYNSKXSA-N 439.499 2.160 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1502118892 FBHZYVFFCBIGIX-XOMICKMZSA-N 440.504 2.378 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCSC 1503102103 BURFAMREPVQNAI-UHFFFAOYSA-N 432.598 2.198 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H]1CC 1503219287 AFHONONQIOYLFW-NRFANRHFSA-N 449.563 2.046 30 10 IEEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)CC1 1503399524 SQHCJJGXSPYGMC-JOCHJYFZSA-N 437.592 2.315 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1507721472 PGDGZQFKWIHBOR-UHFFFAOYSA-N 434.548 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@H](C)C1 1507799786 KWVSQZHPPSUOJY-GIVPXCGWSA-N 426.565 2.478 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1507804521 KFUIJSDDZREFII-KFWWJZLASA-N 433.525 2.105 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836627 TTZFNSNLVIEAJU-BBWFWOEESA-N 430.553 2.436 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCOC1 1507844929 SQIZNKLTKZGIMI-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1 1507847377 KUHGKHMJVMLQHC-UHFFFAOYSA-N 445.593 2.166 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1507876449 HCOUSRUKVYXUJQ-SFHVURJKSA-N 439.564 2.241 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1Cc1nnn(C)n1 1507995759 CQMUHZWVGQZKIG-UHFFFAOYSA-N 431.504 2.037 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1508082866 XODPEJYVSJJNSW-UHFFFAOYSA-N 446.555 2.464 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508084284 LHTXPRCHCZOYHH-GXTWGEPZSA-N 429.468 2.389 30 10 IEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508150616 NXUVRUIHSVQWLQ-INIZCTEOSA-N 444.561 2.095 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1508434814 UOKHZVKBZCYKQZ-FSNCLGKMSA-N 448.568 2.450 30 10 IEEE C[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1510342905 AFDWTSJFTFMMOP-UWJYYQICSA-N 444.923 2.159 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1 1522420020 BUHDENDQMXKOMM-UHFFFAOYSA-N 427.486 2.288 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3cc(C#N)c(F)cc3C)CC2)c1 1534083149 QKJWFWBFXRVSRK-UHFFFAOYSA-N 430.505 2.405 30 10 IEEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1536663120 HVLCJYBAVSQJDJ-UYAOXDASSA-N 442.541 2.451 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CCCO 1538965817 QEUHCXMQADHXPZ-CTNGQTDRSA-N 438.576 2.452 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](F)C2)c1 1539042571 INNGYLSSRJQODH-AOIWGVFYSA-N 438.507 2.424 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1539045309 SGSLNWSORWJZPB-NRFANRHFSA-N 436.560 2.472 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539216675 VLKMIDCBXKLKNE-UGKGYDQZSA-N 428.558 2.080 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN(C)C(=O)OC(C)(C)C 1539284108 HXIIUQRPLDMBAN-OALUTQOASA-N 445.564 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cn(C2COC2)nn1 1539333539 FXJOWNUZIMYGMC-UHFFFAOYSA-N 445.527 2.148 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1539407477 DLVBPKFURKHFMB-UHFFFAOYSA-N 439.541 2.019 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1539518308 XMHMXVCJMAHDKI-QFBILLFUSA-N 441.557 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539613137 VWEUMZCTOMCCHK-KFWWJZLASA-N 431.459 2.165 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC(C)(C)C1 1539742352 BRUBOMJJLZRWGK-UHFFFAOYSA-N 448.593 2.446 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1540127916 YCEQOMANQXTBQS-JOCHJYFZSA-N 439.541 2.082 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540866700 XCVZQIAYPSEGOK-AEFFLSMTSA-N 443.548 2.250 30 10 IEEE CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)c1cccnc1 1541905880 ASUJVLCWZAPLJO-XYJFISCASA-N 433.582 2.461 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)CC2)nc1 1542785729 MIDBSIHVLOFTRJ-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1543570404 KRKBJFPLKOCCJI-SYDAPRMOSA-N 435.532 2.273 30 10 IEEE CCc1nnc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)s1 1546403405 BUTIYMGQFZDQOR-ZDUSSCGKSA-N 429.481 2.187 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1552870500 GTSGKEMEOJPFKS-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1555328373 NLPVNLSVWKRVFN-KRWDZBQOSA-N 436.472 2.389 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1555943420 MJSWWQXZPPBCLJ-ZTQAJYAQSA-N 433.509 2.216 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 1557184500 NTVJQHJQJJWVPY-RLFYNMQTSA-N 435.546 2.051 30 10 IEEE C#C[C@H](NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)c1ccc(Br)cc1 1561601326 KVUYWGJFTWLROW-ZBFHGGJFSA-N 429.336 2.233 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 1562000038 OGEDCLGBRLQUOR-OAQYLSRUSA-N 430.574 2.250 30 10 IEEE COCCOc1ccc(-n2nc(C)c(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)n2)cc1 1583197343 BEJCGRJZRGQBIQ-UHFFFAOYSA-N 432.440 2.072 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 1585925738 ZEEHLCXGIUKJTH-IBGZPJMESA-N 429.517 2.249 30 10 IEEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587818029 ODOIXTFKMXGIEX-UHFFFAOYSA-N 442.951 2.185 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(COC)cc2)CC1 1588914083 VYWXDMFSZIKXPE-UHFFFAOYSA-N 432.528 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1589208296 ZDHQMQYVGOGPQU-DENIHFKCSA-N 432.565 2.376 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1593914115 BILJURLWBXAOKJ-UHFFFAOYSA-N 429.912 2.333 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1594784352 XTCSYLRCACUKCF-GOSISDBHSA-N 430.557 2.059 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1595522592 GKBQKHQJCIXWJL-UHFFFAOYSA-N 434.500 2.222 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1595640381 VZQCQVUZNVZUMX-HXUWFJFHSA-N 449.559 2.455 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1596830941 GPCDCCYKVRPBNH-KGLIPLIRSA-N 439.488 2.133 30 10 IEEE C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCc1ccccc1 1611366838 IDODWKJQYAKPAC-BEFAXECRSA-N 434.452 2.011 30 10 IEEE C[C@H]1CCCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1612808262 DTNOAPKDKUJWPA-FXAWDEMLSA-N 428.512 2.457 30 10 IEEE CCc1nnc(N2CCC[C@@H]2c2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1614013924 LXNULCAXNVHBBW-RAJOGRCSSA-N 427.534 2.473 30 10 IEEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619799603 NCXUGQKAWBLMFN-XOMICKMZSA-N 440.504 2.236 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1620019165 KTJOVROMPDGEKD-AZUAARDMSA-N 445.612 2.053 30 10 IEEE CSC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620181680 YBHNURPCQKICRC-UHFFFAOYSA-N 441.561 2.191 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1620463797 UXLZXBLQCPAGJY-XXBNENTESA-N 429.517 2.113 30 10 IEEE C#CCC1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 1620531475 HJOXJLVLFVYTPR-UHFFFAOYSA-N 441.553 2.300 30 10 IEEE O=C(N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)[C@@]1(F)CCS(=O)(=O)C1 1627107949 HZVQUPIVZNEUBY-BKPPORCPSA-N 433.292 2.143 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc(Br)cn3ncnc23)CCN1Cc1ccccc1 1627792802 YCRPBGFCPAEMSL-MRXNPFEDSA-N 425.290 2.342 30 10 IEEE N#Cc1ccccc1COc1cccc(C(=O)NCCS(=O)(=O)C2CCOCC2)c1 1627963516 AFAKJTBRTJIIMC-UHFFFAOYSA-N 428.510 2.461 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1ccc(CC#N)cc1 1628708414 LMTARNLYYCGOLY-CGTJXYLNSA-N 433.530 2.361 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 1629478270 FEKWDYBVSZJHGY-MRXNPFEDSA-N 439.553 2.483 30 10 IEEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1F 1629556627 AUNBUPFDDMYOSI-CYBMUJFWSA-N 449.460 2.129 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CCOCC2)c1 1629646722 HMVPOTNGUGYYSK-BJLQDIEVSA-N 428.558 2.406 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1629816568 DJWPALJRRCZTEL-UHFFFAOYSA-N 444.538 2.345 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1631654334 VWTPYRRTRDFTDR-UHFFFAOYSA-N 434.587 2.001 30 10 IEEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1633170895 CCIYRGSPHMVULL-UHFFFAOYSA-N 431.489 2.383 30 10 IEEE C=CC1(CC(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1636013100 YLDYIPFFRDORGG-JOCHJYFZSA-N 439.553 2.288 30 10 IEEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCc4c(sc(N)c4C#N)C3)cc12 1636719700 NDNOLJLDEQKKIP-SNVBAGLBSA-N 428.543 2.162 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)s1 1639371932 RHJMDWVLQPEYBA-KRWDZBQOSA-N 439.603 2.052 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C#Cc1ccc(C(F)(F)F)cc1 1642533295 ZITLAZYGSSANQG-UHFFFAOYSA-N 444.406 2.381 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC1(C#N)CCCC1 1644335449 QWSBFISPPPHOGS-LJQANCHMSA-N 435.546 2.351 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1644785422 LSYFDQKEFLNERB-VQTJNVASSA-N 435.952 2.243 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3c3nccc(C(F)(F)F)n3)CC2)o1 1654153252 YPASGJHYRQRFHF-HNNXBMFYSA-N 449.437 2.149 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)n(C2CCCCC2)c1C 1655409737 MYXFMFWNSONWEM-TZIWHRDSSA-N 427.549 2.400 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)C1=O 1665389033 OWVHISBMQHRZNT-DOTOQJQBSA-N 444.536 2.452 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)OCC 1669266125 ALGPPAGZXRZCRO-CYBMUJFWSA-N 434.308 2.412 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1)c1ccc(F)cc1 1669525382 DUKSEYMEXMPFMH-KRWDZBQOSA-N 435.477 2.255 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(n3cnc(C(=O)OCC)c3N)CC2)cc1 1672952805 ZJESLEPIMAQVGO-UHFFFAOYSA-N 425.489 2.201 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cc(C(=O)OC)c(C)n2C)cc1 1673398774 RDOFYZFUBLBBIT-UHFFFAOYSA-N 434.518 2.248 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1689862825 HEHNDOANAWXKFA-QFBILLFUSA-N 427.530 2.154 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc([C@@H]2CCOC2)cn1 1689955653 ORTQQSHPRCUVLE-QGZVFWFLSA-N 436.516 2.432 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1690203068 PEVMSGQUSUHEGT-JOCHJYFZSA-N 442.470 2.466 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1C 1690250844 MDOHYDPGYHQNDP-UWJYYQICSA-N 427.553 2.060 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1690572263 XRUMCOICYMUUFK-SFHVURJKSA-N 449.552 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690662038 PCOQAYYIEJKISQ-QGZVFWFLSA-N 444.967 2.059 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1694341159 BBRHPOGHHXWIGE-ZHRRBRCNSA-N 429.569 2.241 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C[C@@H]1C 1697076779 LYYOUXAYTZTDRI-ZDUSSCGKSA-N 438.517 2.302 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCCC1 1705552574 ZWLPVXZSDOQTAG-QGZVFWFLSA-N 433.553 2.351 30 10 IEEE C#CCN(c1nnc(COCC)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705571968 MQJCQHRYXMHYEM-LJQANCHMSA-N 446.573 2.137 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C(C)C)N1CCOCC1 1705578550 XCPSYFHVDADKMQ-HXUWFJFHSA-N 435.528 2.103 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705635557 BVEOEMSPSKDMDT-FQEVSTJZSA-N 441.601 2.088 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1705666453 GFWOFHQIUFHHKC-HSZRJFAPSA-N 448.531 2.270 30 10 IEEE C=C(C)Cn1c(N(C)C2CCN(CCn3cccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1705729548 FDAKWOYIEXACRE-HSZRJFAPSA-N 443.596 2.304 30 10 IEEE C=CCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705893445 IJABLDFXIPWSLX-JOCHJYFZSA-N 430.553 2.432 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)C[C@H](C)C1 1705934512 OJFYGUGGPJHCGF-GJZGRUSLSA-N 435.550 2.089 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1706482577 UMICLCDZQDDDKY-UHFFFAOYSA-N 431.562 2.360 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1708628038 BIOJZIVRWWHWFM-YLJYHZDGSA-N 440.548 2.105 30 10 IEEE CO[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1712051278 GJWRISXBLFZXFQ-QGZVFWFLSA-N 441.513 2.477 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nnn(C)n1 1722372613 AUROSNXPSRWDCU-INIZCTEOSA-N 438.923 2.333 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H]1C(=C)C 1722380578 QMNBCNYZXFHEIL-GCJKJVERSA-N 442.523 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722392176 ANDQNIZMXRYJKL-NRFANRHFSA-N 433.556 2.465 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1[C@]1(OCC)CCOC1 1722463537 FTTVXXITBWTIIO-GCJKJVERSA-N 443.573 2.349 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722507339 HZXBFZNWFQTINM-ONTIZHBOSA-N 444.624 2.201 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722605957 ZGHNEWBZHUOXCA-UHFFFAOYSA-N 446.559 2.441 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)OC 1722654442 NILKSHPWZLVHQC-WMZOPIPTSA-N 434.562 2.416 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1Cc2cccc(Br)c2C1 1722699594 WOFXEKMSHAHXGV-CQSZACIVSA-N 432.322 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCOCC1 1722727318 KHHSEKYAWYVKOG-UHFFFAOYSA-N 429.546 2.264 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC[C@H]1C 1730405272 KHECJWMRQGAEBJ-APWZRJJASA-N 426.521 2.068 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1740626861 NSJBYNFDKGLHIT-HXUWFJFHSA-N 429.590 2.440 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1740628401 XJGRIVMRUSFDRO-HXUWFJFHSA-N 430.574 2.298 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)(F)F 1740676753 LLRKPFCWBHUGAE-UHFFFAOYSA-N 447.396 2.193 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](CC)OC)CC1 1740703695 BIFLFOCBXIYUIK-SFHVURJKSA-N 425.533 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccsc2)CC1 1740709841 MIVDSZZNEBFHAZ-GCJKJVERSA-N 443.573 2.065 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1740734612 KMTMTDBCFHXSLC-XMMPIXPASA-N 441.495 2.263 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740874411 SSKKFRPOCRDMJR-CVEARBPZSA-N 428.541 2.024 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740889357 MSABBLLGKCIRBL-MSOLQXFVSA-N 425.599 2.389 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1740891221 VTDLUHXOINVKTC-MRXNPFEDSA-N 432.956 2.204 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCc2cccs2)CC1 1740957824 BIBRTWQJHSARGC-LJQANCHMSA-N 444.605 2.248 30 10 IEEE CCC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1745279710 ZIXJEPOOSSYLNY-GOSISDBHSA-N 433.520 2.143 30 10 IEEE CCCCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1745489111 AOFJXORKPJLDDK-GBESFXJTSA-N 436.626 2.431 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1746687155 WAPKMXVEOQLQJU-LPHOPBHVSA-N 425.480 2.484 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747784634 OGOOHPOHELXIFQ-OSCRUYLVSA-N 442.545 2.396 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN(C)CCCOC 1748647484 NXAXAVNVNLPRKP-HNNXBMFYSA-N 437.386 2.472 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1748760961 JSESXGSGJYVCKH-UHFFFAOYSA-N 445.589 2.305 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1748818883 HKZFYZQXRDQFFK-NQIIRXRSSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)C 1748844578 VVDKIQKLSPXYPC-OALUTQOASA-N 428.581 2.416 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1748902902 MSNNSNZYAXTSES-HXUWFJFHSA-N 430.512 2.106 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CCCO1 1748949747 ASBOIURUCCBBRR-OAQYLSRUSA-N 432.546 2.004 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1749039833 CMTOKGNEJFMBGS-UHFFFAOYSA-N 429.546 2.132 30 10 IEEE C#CCSCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749049102 XKKVSHHIUGGSQH-QFIPXVFZSA-N 449.621 2.132 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)NC)c1 1749499427 HKZQZOAIXPQSHK-UHFFFAOYSA-N 438.557 2.494 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2)C1CC1 1749508123 JOURKLOQNMBEQU-HNNXBMFYSA-N 447.561 2.253 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc(C)cn2)C1 1749697603 LLKTYKLCKZSXQB-SIKLNZKXSA-N 430.553 2.305 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(F)c(Cl)c2)CCO1 1750387896 DOELVRSDTDEMNV-HNNXBMFYSA-N 448.886 2.001 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1750901343 CSMUEXWXZCQMDG-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1751092912 GACWCSBYEXOJCQ-GDBMZVCRSA-N 425.459 2.285 30 10 IEEE Cc1ncsc1CN(C)c1nnc(CC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1751358441 QXRVUIUEJKNGQV-HNENSFHCSA-N 429.550 2.404 30 10 IEEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1751672531 FQQJTKRVFYKYKX-KRWDZBQOSA-N 429.546 2.340 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNS(C)(=O)=O 1760163676 ZFUWMLDPSALZOM-HNNXBMFYSA-N 439.969 2.307 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760183957 FNMNJHVNOGDNGU-DLBZAZTESA-N 447.630 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1c(C)cccc1C 1760193791 QSKBXGQVWQXIGI-UHFFFAOYSA-N 441.495 2.254 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCOC[C@H]1OC 1760214658 XCGDZNVHZBREDX-XMSQKQJNSA-N 438.528 2.477 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1760232472 GRLRGUAFPLXSOC-CYBMUJFWSA-N 433.415 2.067 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760285548 JNAUSZKHNOZAGC-SFHVURJKSA-N 425.558 2.343 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(CCOCC)CC1 1760309809 ISYCNVWNKOJIGF-UHFFFAOYSA-N 435.370 2.331 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC)CC1 1760323189 BGSQEGVNVVMJKE-PZJWPPBQSA-N 441.580 2.083 30 10 IEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760350962 XTWZSORUKDIDIZ-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760354618 IDLODFMOLAPKTH-KRWDZBQOSA-N 438.536 2.264 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760376926 JHUYUAQHHYYVLP-QGZVFWFLSA-N 439.969 2.046 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1760431531 TUYCZROVCOHWGC-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760432729 SFCYWRKMJAWQSI-INIZCTEOSA-N 442.520 2.151 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760474831 JCYFABLNANRUNR-UHFFFAOYSA-N 434.537 2.103 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760502786 LUMCHFRXZRVETJ-PKOBYXMFSA-N 448.593 2.116 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnccn1 1760515369 MQTXTXYRBZDBKN-UHFFFAOYSA-N 442.321 2.436 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 1763112171 DCTDYYPVRCTLPI-INIZCTEOSA-N 449.538 2.471 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1763201118 GVGDRGKMXJXYNM-IAGOWNOFSA-N 428.587 2.380 30 10 IEEE CCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1768146455 UBEFECGYJNCDMF-QGZVFWFLSA-N 448.531 2.367 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1768516962 AKXDMWMPDZICCY-UHFFFAOYSA-N 433.516 2.058 30 10 IEEE COC[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769214868 YNVWOWFGQDHBRG-PKOBYXMFSA-N 425.537 2.048 30 10 IEEE COC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCCCC1 1769783841 DRLRZKHRBFOEEG-GCJKJVERSA-N 433.553 2.397 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOC[C@@H]1C 1771110364 OXQVYCGSJSAJSP-INIZCTEOSA-N 433.944 2.081 30 10 IEEE C#CCCN1CCN(C(=O)c2sccc2N(C)S(=O)(=O)c2ccc(F)cc2)CC1 1848495935 JTOGYNOKLBPRAB-UHFFFAOYSA-N 435.546 2.493 30 10 IEEE C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)C1=O 1852040789 CJLRRRQWLDBWSS-NSHDSACASA-N 433.408 2.061 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCC(CN3C(=O)c4ccccc4C3=O)CC1)OCO2 1852391049 HDIDKWPIWFSRID-UHFFFAOYSA-N 431.448 2.364 30 10 IEEE Cc1nc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nn1-c1cccc(C(F)(F)F)c1 1852873340 XTESNQOOSVBYGS-UHFFFAOYSA-N 442.405 2.219 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)OC1=O 1855063237 WDFJJRNXURHCNT-MRXNPFEDSA-N 425.894 2.143 30 10 IEEE CCOC(F)(F)[C@H](C(C)C)N(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856796443 KGICGDATEVOFRM-SFHVURJKSA-N 443.472 2.290 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@@H]1CCN(C)C1=O 1857225466 FIKGCQDNLSHILD-QFBILLFUSA-N 428.920 2.113 30 10 IEEE C=CCNC(=O)[C@@H](CCSC)NC(=O)Cc1cc(Cl)ccc1S(=O)(=O)CC 1861005899 SRAAJTNTHAWDMS-OAHLLOKOSA-N 432.995 2.216 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F 1862606384 PZTBCRLJELIFKN-FQEVSTJZSA-N 440.427 2.311 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1C(=O)O 1862738728 IFDGXIVDAWKDIK-GTNSWQLSSA-N 426.381 2.252 30 10 IEEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1866340255 MXXOOGKORRKTEO-NSHDSACASA-N 427.258 2.322 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(NS(C)(=O)=O)cc2)n(C(C)(C)C)[nH]1 1870000218 HMFIDJPMXSIAPN-UHFFFAOYSA-N 432.550 2.257 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871621460 LAEZDDCGHFIDCL-UHFFFAOYSA-N 426.525 2.082 30 10 IEEE CCOC(=O)Cc1nnc(S)n(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O 1873495454 SQMZOLBJOPMDED-VXLYETTFSA-N 429.414 2.083 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661455 SIFOCSCYQYOOPI-UHFFFAOYSA-N 449.559 2.050 30 10 IEEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1892316301 LXGXMJIDTRKXRO-UHFFFAOYSA-N 433.443 2.214 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C=O)O1 2049382615 RMBAHNFRPVNIHT-JPEKYMHRSA-N 432.488 2.481 30 10 IEEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661577 XLRLXOJWBUMUCM-XJKSGUPXSA-N 435.330 2.248 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124537572 ZSIAPACTLINWTD-PEBXRYMYSA-N 444.341 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](O)C1 2254790857 DIIGQHXGISEUNX-HUUCEWRRSA-N 437.321 2.302 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC[C@@H]1CO 2254792465 KDNURSURAZIRSW-WBVHZDCISA-N 433.358 2.093 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CO1 2255527507 MTCPRYZAQFHLDP-CQSZACIVSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255666773 YTTXMAPBJRRWQG-UONOGXRCSA-N 434.346 2.132 30 10 IEEE C[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCN1C(=O)OC(C)(C)C 2255696948 BFMJEBSHSBPYPB-GOEBONIOSA-N 433.358 2.452 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255810744 MWRXNOBBKSWEJX-CMPLNLGQSA-N 447.288 2.114 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256622208 DQQKTCANILEFIF-PBHICJAKSA-N 434.342 2.049 30 10 IEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258958992 KSZGDKBFTRSTTR-DLBZAZTESA-N 436.358 2.400 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267012795 AEFVDIDICXLEDM-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CC2 2267099061 GXJONBAPWAGPRF-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)OC1(C)C 2267099760 NLSPKZCVEVRCFE-OALUTQOASA-N 436.365 2.303 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267137081 KHTSMPUGMDZHMW-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 2267157855 CDBIXPRRHFCYQU-IBGZPJMESA-N 438.381 2.374 30 10 IEEE Cn1cc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188419 LVQPQBFKBZVVEO-HUUCEWRRSA-N 448.373 2.141 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CCOC[C@@H]3OCc3ccccc3)nc2)OC1(C)C 2267222067 VYDZXHLUWRPQAW-CTNGQTDRSA-N 438.333 2.485 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267270117 JLNYGLMSNRYWIU-CRAIPNDOSA-N 443.353 2.462 30 10 IEEE CC[C@@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN(C(=O)OC(C)(C)C)C1 2267496814 DZBBQYWBHLQNMR-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267521216 QGZZZHGNRIXYOE-LJQANCHMSA-N 438.381 2.374 30 10 IEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267523559 DGIGUEZHWNEEFL-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE C[C@H]1[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2267549683 OLYDLCRMOVUAPH-GOEBONIOSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267595713 JNKMIWWIECPDMQ-HSZRJFAPSA-N 446.353 2.088 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268670014 RNQCRAFAWUPVID-QGZVFWFLSA-N 446.353 2.415 30 10 IEEE Cn1cc([C@H](O)C(=O)C#Cc2cccc(Br)c2)c(I)n1 2296248722 AQOKBLNBLHIIDL-ZDUSSCGKSA-N 445.054 2.441 30 10 IEEE COc1cc(C=Nn2c(C)nnc2SCC(N)=O)ccc1OC(=O)c1ccccc1 2321124272 WNHQAQGYSVKHIR-UHFFFAOYSA-N 425.470 2.274 30 10 IEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccn1 2329056515 VZZHBFXGNRQZQJ-OAHLLOKOSA-N 430.534 2.325 30 10 IEEE CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(C)=O)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1 13827597 NFSCEXJSMYPVGG-BACQOSNCSA-N 432.513 2.101 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(N(C)C)cc2)n1N 20527590 PBJFFRHBNRAGKM-WSDLNYQXSA-N 440.533 2.243 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1nn(C)c(=O)c2ccccc12 21569298 BAGVOFNXTGZFMX-HNNXBMFYSA-N 434.452 2.434 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc(OC)c1 59015869 QFPNNQUTASJVAS-SSDVNMTOSA-N 427.490 2.071 30 10 IEEE C=CCc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OCC)c1O 59186160 HJTPJHFNLCJABH-ATVHPVEESA-N 432.498 2.415 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc1 59884630 JEGNTCLDEHWSQG-KEBDBYFISA-N 442.461 2.086 30 10 IEEE CCN(CC)c1ccc(N2C(=NC(=O)COC)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 254572422 FJYIXYFSMHGQTP-IRXDYDNUSA-N 425.576 2.089 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)C2=O)cc1 430317147 CIZHNPLRJJVJEV-LJQANCHMSA-N 433.516 2.186 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(S(C)(=O)=O)cc1 431251886 WLWNHRCDGMVLLS-HXUWFJFHSA-N 436.436 2.448 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](C)c2nnc3n2CCCCC3)c(C#N)cn1CCOC 481473504 NWUOXNWYGFYXFV-CQSZACIVSA-N 443.508 2.383 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 504022338 OVIWNALHDYGYEN-GOSISDBHSA-N 437.496 2.185 30 10 IEEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(c2ccccc2)C1=O 505522465 USUZGFLQFLMOBT-WOJBJXKFSA-N 445.479 2.027 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 505752131 CDUULKMDXQXCSA-FQEVSTJZSA-N 437.518 2.377 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1C 510108640 FNVYEJJCROPACJ-OAQYLSRUSA-N 440.569 2.161 30 10 IEEE N#Cc1ccc(CN2CCN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)cc1 532916124 YSDDYGCMGFWHTJ-UHFFFAOYSA-N 445.567 2.097 30 10 IEEE CCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549068245 RFEAQXJEHFUEQM-UHFFFAOYSA-N 437.529 2.051 30 10 IEEE Cc1ccc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc1S(=O)(=O)NCC#N 552624580 OHZCXUJXKXXVLU-UHFFFAOYSA-N 448.495 2.428 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)CC1 555383572 KAYGOYTYFQGEAC-SFHVURJKSA-N 449.559 2.030 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3ccc4ccccc4n3)CC2)c(F)c1 557240905 YYTLDVKXZPDINH-UHFFFAOYSA-N 431.471 2.253 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 580954832 CVFMRIZZJJKOFO-UHFFFAOYSA-N 432.477 2.098 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1-c1ccccc1C#N 609450374 HTROWGCZQFBMPX-UHFFFAOYSA-N 444.491 2.023 30 10 IEEE CC(C)Cn1ccnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 610200002 ACNQXZLPAWCZPD-UHFFFAOYSA-N 429.546 2.128 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 610343398 FOXCSYGVLRWFBD-LSDHHAIUSA-N 430.530 2.495 30 10 IEEE COc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncc1B1OC(C)(C)C(C)(C)O1 725400806 XVIQADRKAXSQGF-UHFFFAOYSA-N 434.346 2.278 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C2CCN(C(=O)C(C)C)CC2)c1 726405286 MUSIYEGMURQNEC-IBGZPJMESA-N 440.569 2.383 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cn(-c2ccccc2)nn1 726810123 GCIKQQAPASUYTE-XMMPIXPASA-N 443.463 2.476 30 10 IEEE COc1ccc(CNC(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1C#N 746704593 DPNQUSIRXSDGDO-UHFFFAOYSA-N 426.473 2.042 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 749789229 UNPSLQCFTTZTKL-MSOLQXFVSA-N 436.553 2.250 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CCO2)c1 766628813 VFJFFYDZYXXVTP-BEFAXECRSA-N 443.525 2.112 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCCCS(=O)(=O)c3ccccc3OC)cc2C1=O 766667781 OTKBTMQRWDJOAY-UHFFFAOYSA-N 443.477 2.498 30 10 IEEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774291558 JDQQSADBEHHGDO-QGZVFWFLSA-N 438.569 2.295 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)OCC)c2ccc(F)c(F)c2)cc1 780502548 WYSHEBPDVWDXFJ-SFHVURJKSA-N 437.420 2.338 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 780978493 QVKYJLMDPJWRBN-LJQANCHMSA-N 425.551 2.295 30 10 IEEE Cc1cc(S(N)(=O)=O)cc(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)c1C 781394594 MMUKRQMQBCMIPY-UHFFFAOYSA-N 427.482 2.036 30 10 IEEE COc1ccc2c(c1)C=C(S(=O)(=O)Nc1c(C#N)c(CCCNC(C)=O)nn1C)CC2 783601947 ZLHTTXHZPFEBKY-UHFFFAOYSA-N 443.529 2.098 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)C1 786558954 FFDJVFFGEKGKBI-MRXNPFEDSA-N 437.443 2.316 30 10 IEEE COC[C@]1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 796213069 UZQMDQFRUZULLD-LJQANCHMSA-N 427.498 2.392 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CCS(=O)(=O)C1 800735225 QKJMZYBFWDWDEJ-SWLSCSKDSA-N 427.320 2.105 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC=C(c2ccnn2C)CC1 804200194 ZQWNZVYCQYSRTG-GOSISDBHSA-N 441.557 2.189 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1Cl 807941578 PKBONNRJOOKNLE-INIZCTEOSA-N 448.936 2.278 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 808790455 ZTMWWAGLGOICNZ-BPUTZDHNSA-N 425.489 2.499 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 812250215 DUYDITLJNAKUEF-IBGZPJMESA-N 449.552 2.046 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[C@H]1c1cccnc1 819636858 KEJQXHHHUATHAM-YTQUADARSA-N 426.542 2.455 30 10 IEEE CN1CC[C@H](C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 849583058 QZVPFPZRWSGGDP-RBUKOAKNSA-N 426.952 2.329 30 10 IEEE C#CCN(CC(=O)N1CC[C@@H](Oc2ccnc(CN(C)CC)c2)C1)C(=O)OC(C)(C)C 856624101 SUWMMBPGNMUGAD-HXUWFJFHSA-N 430.549 2.383 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(C2CCN(C(=O)C(C)C)CC2)C1=O 914549762 IGNNBINXZCMLSZ-GOSISDBHSA-N 446.573 2.410 30 10 IEEE C=CCn1cc2ccc(NC(=O)Cn3cc(S(=O)(=O)N(CC)CC)ccc3=O)cc2n1 1134290942 CTEJDJBIYFPROB-UHFFFAOYSA-N 443.529 2.053 30 10 IEEE CN(CC#N)C(=O)c1cc(I)cc(I)c1 1142762856 WGNLVAOCAMMGSC-UHFFFAOYSA-N 425.995 2.491 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1143719755 FSMOQIVILRLYEL-OAQYLSRUSA-N 448.523 2.383 30 10 IEEE C=CCn1c(SCC(=O)N2CC[C@@](O)(C(=O)OC)C2)nnc1-c1ccc(Cl)cc1 1153269685 MBELGJZSFKESKG-IBGZPJMESA-N 436.921 2.013 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(CN4CCOCC4)cn3)ccc2c1=O 1161114793 ZOYMXJGBPKAXRJ-UHFFFAOYSA-N 437.525 2.351 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3nccc(Br)c3C2)cc1 1161499621 VCNKWYRJQOJYGG-UHFFFAOYSA-N 434.315 2.215 30 10 IEEE Cc1ccc(C(=O)NCCc2cccc3c2OC(F)(F)O3)cc1S(=O)(=O)NCC#N 1167257321 XYIQJMXMMATECZ-UHFFFAOYSA-N 437.424 2.091 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 1210355328 RPWRFMUVXARCLP-UHFFFAOYSA-N 444.469 2.123 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OC)oc1C 1213711578 JBSBEVDBIYHQSK-UHFFFAOYSA-N 440.518 2.398 30 10 IEEE C#CC[C@H](CCOC)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1219437227 JLGXYHFDIVHBDQ-OAHLLOKOSA-N 437.338 2.277 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(CC)c1 1286396745 HMBZVKNIJXSHKR-UHFFFAOYSA-N 435.919 2.199 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398596 LOARBRIPVBLPCK-QZTJIDSGSA-N 436.578 2.106 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1286561966 DFDPRHDHTIVSPD-FPOVZHCZSA-N 439.564 2.097 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 1286708991 VRCNPDDXOLSSFK-UHFFFAOYSA-N 442.488 2.374 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC=CCC1 1286717326 UJLCULUIFGIEIQ-UHFFFAOYSA-N 429.594 2.431 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286789560 HULQRVRJVHNSGD-VQTJNVASSA-N 439.560 2.237 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(N)=O)CC2)cc1 1286796264 KERJRTUCDAUPCR-IBGZPJMESA-N 425.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1286823139 KRNNRBBPUVNDEV-IBGZPJMESA-N 437.472 2.039 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1 1286949802 PONMSBXSXRNAPU-UHFFFAOYSA-N 444.561 2.005 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1286967722 FWNABSKDNZWZAX-MJGOQNOKSA-N 431.562 2.383 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1287284401 XCORNOVZIWNFGR-VGVBMJIYSA-N 441.561 2.377 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccnc3[nH]c(O)nc23)CC1 1293136211 DJKINLKTSSVNOT-OAHLLOKOSA-N 441.289 2.449 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1297994485 CEABZQRLFNIUJK-IBGZPJMESA-N 440.569 2.473 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1298284076 YVIQHWIVNDBSJD-INIZCTEOSA-N 436.438 2.359 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)CCOCc1ccc(C#N)cc1 1298755907 ICKMBACPDZFJPM-FQEVSTJZSA-N 446.548 2.199 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300484939 VBCUDCQWKSAUTL-SQNIBIBYSA-N 432.546 2.024 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)ccc1OC 1300506092 MFWGWKATWGJVJB-UHFFFAOYSA-N 430.468 2.064 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)N1CCc2ccccc2C1 1300532089 MPUCWBIUUWDIER-FGZHOGPDSA-N 430.556 2.139 30 10 IEEE COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300605743 NELCIMNQJIIZHI-UHFFFAOYSA-N 447.499 2.008 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(CC)C1 1300658099 WWNAWWQPFZVMGE-HNNXBMFYSA-N 435.370 2.464 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1300766557 GAUSUCONGDDLJV-IBGZPJMESA-N 426.590 2.373 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1300829917 CAWMGWFHMFCTEW-JTQLQIEISA-N 428.303 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301577720 SSUQMTVVMSOFDQ-QGZVFWFLSA-N 444.561 2.250 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301588092 VFDPEMIRTAVNGR-OAHLLOKOSA-N 437.532 2.150 30 10 IEEE N#Cc1cncc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1 1303863470 CDQBVUKDQTWXOM-UHFFFAOYSA-N 435.303 2.086 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1305664786 FPOCNEHFRZEBPU-YLJYHZDGSA-N 434.541 2.201 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCc3ccc(C#N)s3)CC2)cc1 1312891056 RBYFQJTUPHYMKZ-UHFFFAOYSA-N 434.543 2.235 30 10 IEEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N)OC 1315795347 JWQBXVSVDUFHCK-TZMCWYRMSA-N 425.331 2.446 30 10 IEEE C#CC[C@@]1(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 1352664210 FYSCISJYEFMNOL-QHCPKHFHSA-N 442.516 2.023 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1358886532 GGILZYZNQQZAPS-HNNXBMFYSA-N 426.521 2.255 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358932038 WMDISFJJZHNFRG-LJQANCHMSA-N 432.532 2.075 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1359009142 JCYWFLDMFGVEGR-MJGOQNOKSA-N 433.553 2.082 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC(C)C 1359017256 YRZXFBXWEFDTFM-GOSISDBHSA-N 434.537 2.384 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1Cc2ccccc2O1 1359019025 IPCUANDYTMRVEW-XXBNENTESA-N 426.517 2.020 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCCO1 1359293080 GEBPSIYOUSNQEU-CQSZACIVSA-N 437.342 2.343 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(c2cnn(C)c2)CC1 1359303746 ZLRZKJUWFUXRDY-UHFFFAOYSA-N 433.560 2.483 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1359337159 KWZPWILCJBMZBI-WBVHZDCISA-N 443.639 2.203 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccccc1 1452199639 FOKXBZVGVYELBN-VQTJNVASSA-N 428.510 2.207 30 10 IEEE C#CCN(C(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1)C1CCN(C)CC1 1456170505 UHFLILAEJCHKLD-UHFFFAOYSA-N 436.537 2.496 30 10 IEEE N#Cc1cc(C(=O)NCCNC(=O)c2ccc(Br)cn2)cnc1C(F)(F)F 1461525587 UFTIXQJQLIXWGP-UHFFFAOYSA-N 442.195 2.289 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1463596975 FQOHRJBVZTZPQC-UHFFFAOYSA-N 442.497 2.159 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nn1 1470584113 JTNYIHXBEIZYFZ-LJQANCHMSA-N 448.568 2.412 30 10 IEEE N#Cc1c(N2CCC(n3nncc3I)CC2)ccc([N+](=O)[O-])c1N 1472832538 XSWCGSSJBIMWNF-UHFFFAOYSA-N 439.217 2.086 30 10 IEEE CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1473904960 BFIYFZSOUMCALU-UXHICEINSA-N 435.613 2.400 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1475368741 HSTUGDPWIVNHKX-INIZCTEOSA-N 427.498 2.310 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)C1CCOCC1 1475515712 XNEIJAVILUSLQJ-MRXNPFEDSA-N 432.336 2.181 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1494589425 DFRHNAFBEWWJFF-DLBZAZTESA-N 426.521 2.175 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1496841339 WAFIDSDUYABTBV-BTYIYWSLSA-N 428.516 2.098 30 10 IEEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1501889303 FVEVWNSBMTWRRP-UHFFFAOYSA-N 434.552 2.204 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1507522149 BCTCGYBTSDBLLV-HXOBKFHXSA-N 427.549 2.265 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1507523248 KDZLCQYAWMTQBY-HNNXBMFYSA-N 437.504 2.021 30 10 IEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1507565508 CGMDIVFWXKBLGK-UHFFFAOYSA-N 429.590 2.453 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1507597068 SVGHFCDPSONWEZ-RBUKOAKNSA-N 435.594 2.374 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1507651668 AUANRUVUIBGFOI-OALUTQOASA-N 441.532 2.004 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCSC1 1507710437 GLEWUNOMPBOFFE-SFHVURJKSA-N 441.605 2.291 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(F)cc2)CC1 1507733403 XPCAGAMTCYARGM-FPOVZHCZSA-N 427.524 2.139 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507799101 VGDBQDNZACHIBY-JTHBVZDNSA-N 444.624 2.338 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507838006 YXBBPGOKBDSSEP-QGZVFWFLSA-N 427.553 2.205 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOC2=O)CC1 1507887714 FRDQVOJFESUGJK-UHFFFAOYSA-N 430.534 2.268 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508103581 HFFMPICPUDKQMT-QZTJIDSGSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508140760 QNFNSMLQMJHMRB-MRXNPFEDSA-N 439.582 2.202 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511105659 CMWQDQQGRGLWJM-LSDHQDQOSA-N 446.515 2.305 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1514611805 VJPVQLJGEQEERZ-SKQREZPOSA-N 443.596 2.270 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc4ncc(Br)cn4n3)C2=O)cc1 1515391377 GUYILCWVFKGNJS-HNNXBMFYSA-N 439.273 2.289 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2OC)cc1 1525526743 JEJJUNVLIFKZGY-CQSZACIVSA-N 425.441 2.127 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1526515682 OJOPNHOGXSKIOC-MSOLQXFVSA-N 437.518 2.154 30 10 IEEE CC1(C(=O)NCCCCn2cc(C(N)=O)nn2)CCN(c2ccc(Cl)cc2C#N)CC1 1528304963 OOMMECKICSEJAN-UHFFFAOYSA-N 443.939 2.105 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)CCCC2)cc1 1538187675 XOFHYRQPNLQBMX-FQEVSTJZSA-N 431.558 2.023 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)C2=O)cc1 1538383031 AYFRCENPMKXOES-UGKGYDQZSA-N 448.498 2.400 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCS(=O)(=O)CC)c1 1539037314 DRNNHNSRJXUYFZ-INIZCTEOSA-N 431.562 2.283 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1539085607 NVNPSVDTACLEKK-KRWDZBQOSA-N 427.578 2.267 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539202742 KSDIKZVYIHPGFF-ZIFCJYIRSA-N 449.621 2.259 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216309 QCNVJUGHNIYESW-ROUUACIJSA-N 433.603 2.147 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1539221451 OMIUYUINMXKEJU-IRXDYDNUSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(COC)CCC1 1539245683 JQWKQTNXBOEYEP-UHFFFAOYSA-N 426.542 2.238 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1539427951 KIMACEDJWVHECD-IBGZPJMESA-N 442.539 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCCC2)CC1 1539434643 RISNWYHBXRYIIN-UHFFFAOYSA-N 447.381 2.106 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1539491018 KGQFVMBVSOLSSL-QGZVFWFLSA-N 440.573 2.181 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C)C1 1539642001 HKTKNNZXVUOJMK-FCEWJHQRSA-N 431.562 2.476 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1545062421 HIZQBBPVPNFUSY-GOSISDBHSA-N 448.541 2.079 30 10 IEEE CCc1nnc(N2CCC[C@H]2c2ccc(COC)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1546510914 PMLSGDLGCSFBKZ-JHBCHSCWSA-N 440.504 2.448 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1 1554433981 YWWJRXGUNUPTGC-UHFFFAOYSA-N 425.880 2.469 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]2C[C@H]21 1556132960 YMFCVAKRXHWNAH-PHPOFCCKSA-N 434.537 2.411 30 10 IEEE CC[C@@H](C#N)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1557661267 OWEFRRLUHLRHCO-SXLOBPIMSA-N 440.500 2.369 30 10 IEEE CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)NCCn2cnc(C#N)n2)CCC1 1564724283 UETVIBDOQKICNA-MRXNPFEDSA-N 431.541 2.409 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCO[C@H](c2ncon2)C1 1567518287 CECHYSYPBLSFPF-ROUUACIJSA-N 439.472 2.376 30 10 IEEE CCN1CCN(CCCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585121754 FLXVRYWXSBSMGG-SFHVURJKSA-N 431.968 2.098 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(CC)C1 1587663287 WHRFZSYBAFGUTM-PKTZIBPZSA-N 449.647 2.443 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1587718557 IIKMPYCKEFXHOJ-KRWDZBQOSA-N 443.573 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1588158428 BARMTPYTNHCVIF-HSZRJFAPSA-N 444.583 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCn1cnnn1 1588166707 NTTCWHZISIMORD-UHFFFAOYSA-N 445.314 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCc2ccccc21 1588186395 XMDBWCTZFOCYEN-RPBOFIJWSA-N 434.540 2.227 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCn2cccn2)CC1 1588779717 AFWLBYSMBDGFNR-UHFFFAOYSA-N 435.532 2.004 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1593865254 DMPFYTMBNFVSNL-UHFFFAOYSA-N 433.004 2.426 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1603038887 KIESFPBJTQGEAX-GTJPDFRWSA-N 429.546 2.223 30 10 IEEE CC(C)[C@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1611133417 ANZPKTMJJSPMFP-SFTDATJTSA-N 434.496 2.433 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)n1 1611441063 DNDSZMIZXVXJOG-UHFFFAOYSA-N 434.362 2.323 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@H]1C 1613530423 DAQRBTGAFIOQFE-QMHKHESXSA-N 440.548 2.244 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1614224120 HCEXLRCVNYWZEM-WXVFVKJXSA-N 436.516 2.395 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1ccco1 1620002087 NUQBHGMBTSJGLY-KKSFZXQISA-N 430.509 2.155 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC(=O)NC1CCCCC1 1620094884 ITPPGCDPKLJTII-PXNSSMCTSA-N 430.553 2.191 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC([C@@H](F)C(N)=O)CC2)n(Cc2ccccc2)c1C 1620501945 RLESMCGDTNXAQP-OAQYLSRUSA-N 425.508 2.499 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1629733570 SNQLYSHDISSOPT-QRVBRYPASA-N 447.557 2.187 30 10 IEEE CC1(C)OB(C2CCN(C(=O)c3nc(S(C)(=O)=O)n4ccccc34)CC2)OC1(C)C 1633529767 YXMXTZJSPKDZJJ-UHFFFAOYSA-N 433.339 2.436 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1 1634464459 CBWVSIJCJUVKII-HXOBKFHXSA-N 447.507 2.109 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 1635243165 MWLPULQHECABTM-RRMRZKMGSA-N 447.484 2.406 30 10 IEEE C#CCCOc1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1638909175 ARKHYPRPOXOCTI-UHFFFAOYSA-N 431.470 2.047 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)c1 1641769971 MIBRQHFPZBQTNO-IBGZPJMESA-N 448.523 2.236 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 1641828194 KNXNWXMNZMHKEY-DNVCBOLYSA-N 435.509 2.214 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC2(C)C)cc1 1643904245 XBDWICCOTCLZBY-UHFFFAOYSA-N 449.573 2.460 30 10 IEEE CCc1cc(C(=O)OC)ccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1645793741 DTSRRAKKISSBED-ZDUSSCGKSA-N 429.498 2.491 30 10 IEEE CN(C)CC#CCNC(=O)Cc1ccc(I)c(Br)c1 1648651859 NTLCDIURPYAFPK-UHFFFAOYSA-N 435.103 2.277 30 10 IEEE Cc1cc(NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c(C#N)cc1N(C)C 1662434356 BKTJEHAKGPQSPK-UHFFFAOYSA-N 435.532 2.188 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1668729179 TZEOVAJWJARFSP-MOPGFXCFSA-N 431.533 2.402 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 1672952815 ZZEAABCQWVOJIT-UHFFFAOYSA-N 427.526 2.305 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)NCC#C[C@H]3CCCCO3)c3nccn32)C1 1676428410 CMPMVZKUWVWZEN-SJORKVTESA-N 429.521 2.146 30 10 IEEE C#CCN(C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1676685047 QEIUYOFMOCYNNZ-HOCLYGCPSA-N 426.922 2.410 30 10 IEEE COCC(=O)N1CCCc2ccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc21 1681016992 FQHDMNOMKREILH-UHFFFAOYSA-N 434.500 2.233 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)F 1689846414 JKYZCUIUBFTFDR-CYBMUJFWSA-N 426.493 2.325 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)c(C)s1 1689951317 STJLOVYEOPRBQM-UHFFFAOYSA-N 444.586 2.386 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689994189 STETZKQILCBYGI-IBGZPJMESA-N 433.622 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](F)COC 1690056145 HGXNGYQMWBEBJT-KURKYZTESA-N 433.528 2.496 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N(C)C1CC1 1690098642 PORUJCGZCDHEJO-QGZVFWFLSA-N 425.533 2.285 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)C2CCCCC2)CC1 1690110348 IJMPSLUGWFQKAM-DEOSSOPVSA-N 444.624 2.283 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 1690133526 KLKTUMISADGJHF-NTKDMRAZSA-N 439.560 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690239486 XIISRCSYWFTFRR-OFNKIYASSA-N 444.624 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690715959 YSFKEGMWMKFQCE-HLIPFELVSA-N 426.583 2.167 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690970932 LEBCGCMBUWGNKD-QGZVFWFLSA-N 445.930 2.440 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccoc1 1694351576 JSIPWMQTDRSATF-UHFFFAOYSA-N 448.531 2.431 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1697197588 GLLRYNGUBYBISG-HSZRJFAPSA-N 431.500 2.364 30 10 IEEE COCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1698223170 ALSPODVYAOYUFI-UHFFFAOYSA-N 433.516 2.201 30 10 IEEE CS(=O)(=O)NCC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1698316506 PGCPHHKAMZYFRM-UHFFFAOYSA-N 432.550 2.214 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705516073 TWBXNFDBFUZSEC-KRWDZBQOSA-N 440.573 2.365 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705556665 KZTWNWWYAVWFGB-LJQANCHMSA-N 446.559 2.470 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705567224 UVVICYYHAGWXDM-UXHICEINSA-N 428.558 2.156 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nnc2n1CCC2 1705631022 OLPPKWDXZRTNPT-UHFFFAOYSA-N 435.532 2.146 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CN2CCOCC2)CC1 1705745158 BEBXICXAAZJCMU-QGZVFWFLSA-N 427.977 2.303 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705934084 ATGBFMQMQIGBQE-MOPGFXCFSA-N 431.562 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC2(CCCC2)C1 1705937231 NEVOOWCHBBWUAL-UHFFFAOYSA-N 431.562 2.014 30 10 IEEE CN1C[C@@](C)(Cn2c(N3CCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1=O 1711271219 DEWKFPSUBZSZDN-DEOSSOPVSA-N 435.576 2.248 30 10 IEEE COc1ccccc1CN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1711989819 FYTCJFNIBNVCHD-LSDHQDQOSA-N 447.499 2.445 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNc1ccccn1 1712013040 SNNSZZLQIPIVDN-SFHVURJKSA-N 449.515 2.492 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1712509494 XNDPLPFCEGITMK-HOTGVXAUSA-N 426.521 2.075 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1722293131 KUSQIHBXZDWFIP-AZYRPFHASA-N 440.573 2.462 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1722306045 OGIMIEDYTNEKMX-DBHNTLKXSA-N 433.553 2.312 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1722417013 XYEQWULWMACWHJ-UHFFFAOYSA-N 439.545 2.250 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2ccc(O)cc2)n1 1722429541 NBEVTSBYYBXQBM-OAQYLSRUSA-N 436.516 2.366 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2c(C)noc2C)CC1 1722442624 WTNAQGHIVMHTTI-UHFFFAOYSA-N 436.516 2.274 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCC[C@H](C)C2)CC1 1722446028 KEHPTLHAAFCPMP-IBGZPJMESA-N 435.576 2.038 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1ccn(C)n1 1722654813 WAZJYLRDJWPFSO-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1n[nH]c(C)n1 1722669536 VTZIDMXPDBHOEH-UHFFFAOYSA-N 441.565 2.086 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1722697433 JSLBBEIMXDOTOD-UHFFFAOYSA-N 449.559 2.092 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OCc2ccccc2)CC1 1722699740 XTEDGDGPHCCWDN-IBGZPJMESA-N 425.533 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2sccc2C1 1722729099 FIUKIJOHOUUQGC-UHFFFAOYSA-N 429.571 2.489 30 10 IEEE COCCOCCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1730922347 FQDPZVMZLBYJDJ-UHFFFAOYSA-N 433.516 2.201 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1730995880 SWHWNXAGYWFHQL-LJQANCHMSA-N 431.562 2.383 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)c(F)c1 1740535490 RIMRCWHHPIYXNB-QZTJIDSGSA-N 445.539 2.484 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OCC(F)(F)F)c1 1740599268 WIBYFPIVQFRWKH-UHFFFAOYSA-N 445.405 2.379 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC(C)C)N(C)C 1740638868 PNQPAUSQGJEEMF-IBGZPJMESA-N 445.571 2.241 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn2ccsc2n1 1740642584 YCRZXWWAWLKFKS-UHFFFAOYSA-N 435.538 2.100 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 1740711298 KKEUQXDMGSLXBR-QGZVFWFLSA-N 434.587 2.330 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740890068 SCIRMWSOXDGGPG-INIZCTEOSA-N 437.479 2.031 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1740953447 GOWJKASNRXABDH-GJZGRUSLSA-N 429.521 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(Cl)=C(Cl)C1 1740959160 MBJBDIRLPGBTDP-UHFFFAOYSA-N 439.303 2.207 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1C(C)C 1740959276 PXNIDKWNMRTJLD-KRWDZBQOSA-N 445.593 2.165 30 10 IEEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742812103 JWPVMHYQELBQDU-UTTYWZDOSA-N 445.527 2.444 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1745779681 UXRNYRBEFKOHNF-IBGZPJMESA-N 432.532 2.460 30 10 IEEE COC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1748359063 DRLPHYJGBZUVJK-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCNC(C)=O 1748831793 YCLRFPHLQXBNPU-UHFFFAOYSA-N 444.333 2.315 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1748925449 IAIQZVCRRQACDD-QGZVFWFLSA-N 428.541 2.144 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1749026083 CRTQLHMGNLNDHS-MRXNPFEDSA-N 430.530 2.328 30 10 IEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749174570 VLKPCWXUGARPST-MRXNPFEDSA-N 432.525 2.273 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nccs2)C1 1749713228 QJZNCWWQRZAJIE-ARFHVFGLSA-N 437.591 2.222 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(Cl)nc1 1750028827 QKFUUMZHUAEFDR-YJBOKZPZSA-N 445.955 2.275 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1760224514 NCVIMNRFDNEERL-UHFFFAOYSA-N 430.553 2.323 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)C 1760240210 KGKNOMFDZDNCBA-HSZRJFAPSA-N 443.523 2.186 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCCN2CCC)CC1 1760272071 XIZSZZOOSZTUTP-OAQYLSRUSA-N 426.609 2.461 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760364905 GGIJETBNPPLKKG-FQEVSTJZSA-N 435.960 2.435 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccn(C)n1 1760467754 UBISAOQTKGQRFZ-UHFFFAOYSA-N 434.592 2.241 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1764191674 KHSCHBFNFRLXDQ-OALUTQOASA-N 442.520 2.094 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)c1 1769187538 RUOIARCRJHSHQA-PMACEKPBSA-N 438.532 2.150 30 10 IEEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1770314718 SCHSTSZWCWIICP-AYAKEVCGSA-N 435.488 2.076 30 10 IEEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1770419182 YXICSRZDARMGDT-CQSZACIVSA-N 439.545 2.089 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1770683077 UKIKKLYFASUMGI-IJYGLTAASA-N 430.553 2.397 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)CCO1 1770746974 DMMMWESJWVEPON-QGZVFWFLSA-N 429.431 2.141 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1770919736 CNUOITLWTNLVGW-GOSISDBHSA-N 429.546 2.114 30 10 IEEE COCCN(C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1771078687 NNFFCTCZBBJAPM-AWEZNQCLSA-N 438.374 2.220 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)C(=O)C2 1851190486 SJBDKGGXKQPYJM-FQEVSTJZSA-N 429.542 2.043 30 10 IEEE C=CCN1CC[C@@H](N2CCN(C(=O)C[C@H](OC)c3nc4ccccc4s3)C(=O)C2)C1 1853741101 HUDKMOISMRZCRZ-AEFFLSMTSA-N 428.558 2.305 30 10 IEEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C(=O)[C@@H]1C 1854295787 MITXLNBQAPBBJC-ZDUSSCGKSA-N 445.994 2.048 30 10 IEEE COc1ccc2c(c1)CC[C@@H](C(=O)O[C@@H]1CON(S(=O)(=O)c3ccccc3C#N)C1)C2 1855409245 XBWUPGFZJLJLPD-XLIONFOSSA-N 442.493 2.220 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)C2=O)CC1 1857084050 ZKYLIBAJDIUNHW-GOSISDBHSA-N 427.867 2.309 30 10 IEEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCCN(C4CCSCC4)CC3)CC2=O)cc1 1857267775 JPJPYDCVRLOTMP-IBGZPJMESA-N 426.586 2.450 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862705820 HROULDGKBRNLBQ-GOSISDBHSA-N 428.397 2.270 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 1870156884 GWNPGXZRLJQUBH-UHFFFAOYSA-N 438.356 2.045 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC(C)C)cn1CCCn1ccnc1 1870513444 PFGXWWPVUXNCEY-UHFFFAOYSA-N 427.549 2.213 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870757920 HBYOQWPWHJBWLS-UHFFFAOYSA-N 439.512 2.391 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)CC2)CC1=O 1872917432 BCXBIKUFXBCNRR-QFBILLFUSA-N 443.544 2.154 30 10 IEEE C=CCn1c(C(=O)NCCc2ccc(C)cc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873593529 DCRIFWWKPVRPBP-UHFFFAOYSA-N 448.571 2.013 30 10 IEEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2C2CC2)cc(Br)c1O 1874518791 JOEMESZXNJSWIY-FBCYGCLPSA-N 440.323 2.482 30 10 IEEE CC#CCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390332 CWFIZAZSNKIXGC-FQEVSTJZSA-N 427.478 2.416 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCCCCC3)OCC(=O)N2C(C)C)cc1 1890051091 TYYZLXIJVNDWCK-BJKOFHAPSA-N 441.572 2.368 30 10 IEEE C=C(I)CN1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2021157185 ILJKGXUHPNXUDI-AWEZNQCLSA-N 449.333 2.479 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2060642574 YZNAAOULCHVBJP-KSWRQPAISA-N 436.358 2.467 30 10 IEEE C#CCCN1CC[C@H](NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2083723878 SFQCBQWCVOWVIU-OFVILXPXSA-N 440.588 2.370 30 10 IEEE CC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2085392791 CHVYYSSYXVFGFX-ASSNKEHSSA-N 432.330 2.408 30 10 IEEE C#CCn1ncc(NC2CC(F)(CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2106109291 JGUBVVGOYZIXNC-UHFFFAOYSA-N 429.290 2.446 30 10 IEEE COC[C@H](C)N=C(NN)Nc1ccc(Br)cc1I 2223669322 IMLGONYWFQEZCQ-ZETCQYMHSA-N 427.084 2.320 30 10 IEEE Cc1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224102590 OZUHZBYCDTUBCY-DLBZAZTESA-N 433.358 2.471 30 10 IEEE C#CCn1ncc(N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2226275035 YEHZPHYSSITMLC-RYUDHWBXSA-N 429.290 2.398 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2232318987 RFMGAROXIPGYHZ-JZXOWHBKSA-N 445.369 2.045 30 10 IEEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)N(C)C(=O)OC(C)(C)C 2243387234 QALLJOMIVUVMQS-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247780054 DTKBAVQZNUSEQO-IMRBUKKESA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247834392 VCAHZWUTSMWCDK-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC1(C)OB(c2sccc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247834763 ASTMZUVULGSHDW-KRWDZBQOSA-N 432.273 2.330 30 10 IEEE CC(C)(C)OC(=O)NOCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247840992 SMGYUXLPIZIPOI-UHFFFAOYSA-N 441.721 2.220 30 10 IEEE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405556 UYTNKVGGGLPHJV-RYUDHWBXSA-N 440.375 2.137 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255670291 WVDUDMINEIDDFH-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255832459 MMMMIDWPYHZKKP-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2255864703 YUXOHGJUJFASBI-LXTVHRRPSA-N 438.330 2.438 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256018117 XCLNQHJTZMRDOQ-JKSUJKDBSA-N 432.326 2.477 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256676790 QRQNNRUCYLFSJP-HNNXBMFYSA-N 438.305 2.339 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267012206 QOAVVYLRWBVBNQ-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267161792 HBFPVSHLDVMFDM-UHFFFAOYSA-N 441.337 2.081 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2267493300 HXCJIVUOPSXEKQ-CQSZACIVSA-N 448.373 2.237 30 10 IEEE Cc1c(C(=O)NCc2ccn(Cc3ccccc3)n2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525560 GGRUDGIFEBUJOP-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267586929 QQATZRMRQICRAT-GXTWGEPZSA-N 441.259 2.052 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268656554 YHKGXZOUPHCWBF-KSSFIOAISA-N 446.353 2.102 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2282518389 XGRMLVWIKFGRCN-UXHICEINSA-N 448.376 2.370 30 10 IEEE C#CCCN(CC(=O)O)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2299785760 YOEQNYOIDGDSBH-QHCPKHFHSA-N 429.517 2.092 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@H](Cn2ccnc2[N+](=O)[O-])O[C@@H]2CCCCO2)cc1 35827277 ADKHTOXGXAAZSE-DOTOQJQBSA-N 425.463 2.417 30 10 IEEE CCOc1ccc(C(=O)NC(=S)N2CCN(CCC#N)CC2)cc1Br 100435722 IXPDWKWZJWUBKX-UHFFFAOYSA-N 425.352 2.394 30 10 IEEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)C(=O)O 159583160 LCBUSHXFRMGPPI-SNVBAGLBSA-N 425.098 2.275 30 10 IEEE C[C@@H](C1CC1)n1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 429625682 KQXKLZIMKWBIGR-HNNXBMFYSA-N 428.518 2.264 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCCN(CCOC)C(=O)C1 460552549 OUDGTWXOWVWTGK-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 477251677 CYAONMDOJIBPDX-AOMKIAJQSA-N 425.510 2.273 30 10 IEEE Cc1nc(SCC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c(C#N)c(C)c1C 477874050 GEXVKGNJZGWMCM-UHFFFAOYSA-N 429.590 2.031 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2)c1 481809897 OQCOPPQDHOEMRW-SFHVURJKSA-N 436.516 2.081 30 10 IEEE CCc1ccc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)s1 482101977 RNRIIKPYULXNTD-MRXNPFEDSA-N 446.598 2.193 30 10 IEEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 508816301 HTNQKGFTCPODAZ-QGZVFWFLSA-N 430.553 2.004 30 10 IEEE CCCCNS(=O)(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 514823427 GBRDMYJWHDNGQY-UHFFFAOYSA-N 442.545 2.386 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H](C)c4cccc(F)c4)CC3)CC2)o1 537680570 JLVMPKWUKXVWIS-QGZVFWFLSA-N 440.523 2.021 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccccc2)c1=O 538669675 LAZZLCPGUHEJRD-UHFFFAOYSA-N 433.508 2.187 30 10 IEEE CC(C)[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1nnc2ccccn12 542544722 MCOSPHFQMVYYME-UTKZUKDTSA-N 437.573 2.487 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)cc1 545193892 UCYRLTIJBGNPHL-AWEZNQCLSA-N 430.530 2.032 30 10 IEEE N#Cc1c(CCCNS(=O)(=O)CC2(C#N)CCCC2)nn(-c2ccc(F)cc2)c1N 546799472 SJFQHJGDFAFMKM-UHFFFAOYSA-N 430.509 2.401 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2cc(OC)ncn2)CC1 581135105 JXILWTIFMCGGHT-UHFFFAOYSA-N 449.515 2.418 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)OC2CCC(NC(=O)Cc3ccncc3)CC2)cc1 586510174 PFBBTFNQEIZPKH-UHFFFAOYSA-N 431.514 2.415 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(F)cc1 603786367 LELWJHLBIGLCLJ-UHFFFAOYSA-N 443.450 2.344 30 10 IEEE C=CCCCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 605644657 XDOZSQOGZCDAGX-UHFFFAOYSA-N 435.590 2.341 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 609113300 CHJBFMODTLRMJR-INIZCTEOSA-N 426.904 2.444 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 609428645 BTVKLWKRYAOISM-LJQANCHMSA-N 432.524 2.449 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 610169169 FCEIKBXDUHXTRA-SJORKVTESA-N 431.464 2.473 30 10 IEEE C[C@H]1[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC(=O)N1Cc1ccccc1 619602182 FTZZPILBZDKBCB-LPHOPBHVSA-N 448.527 2.445 30 10 IEEE N#Cc1ccc(CN2C(=O)CN(CN3CCC(C(=O)NCc4ccccc4)CC3)C2=O)cc1 726585050 JTSWWCPPFOFNJZ-UHFFFAOYSA-N 445.523 2.308 30 10 IEEE C=CCn1c(C2CC2)nn(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1=S 727825706 VYVBOBWHUNBXPD-UHFFFAOYSA-N 448.618 2.165 30 10 IEEE C#CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CCS(=O)(=O)C1 735463197 FHVHJXCZVIOXAF-AWEZNQCLSA-N 440.294 2.036 30 10 IEEE COC(=O)[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 740176540 RRYFADCFCYCIMC-HXUWFJFHSA-N 442.493 2.416 30 10 IEEE Cc1sc2ncn(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(=O)c2c1C 754388482 ZKMXYFUDMPLZSV-OAHLLOKOSA-N 445.545 2.436 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(-c3ccc(F)cc3)c2=O)cn1 767882680 UMVIWMQWLLFMDF-UHFFFAOYSA-N 436.512 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc21 777141432 JYUCKJWDVBCIPY-CZIZESTLSA-N 426.473 2.240 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(OCC)c1 792746879 NYDDFOMMFAXIPO-MJGOQNOKSA-N 430.574 2.497 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCSC2)c1 794451551 YXGHGWMIDLXQCO-MSOLQXFVSA-N 430.599 2.173 30 10 IEEE C#C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 794896791 SVNGKCIDLGTHNO-SFHVURJKSA-N 432.473 2.146 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 800778618 LVABSXHWJANKEK-FQEVSTJZSA-N 440.548 2.049 30 10 IEEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(N2CCCCC2=O)cc1 812038082 GKCKEQBYNYHOLK-IWKHNONTSA-N 425.489 2.090 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 914679105 XEKJINLIALHFDH-APWZRJJASA-N 448.541 2.217 30 10 IEEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NCC2CCC2)[n+]2cccc(O)c2)C=C1 1115984973 GHNKGYXGYDBSGG-UHFFFAOYSA-O 434.563 2.464 30 10 IEEE CN1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1128369389 JHEXKGDIYABHRC-CYBMUJFWSA-N 442.394 2.473 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)OC)c1 1144341225 LTVJZBCCOISYBC-GOSISDBHSA-N 431.485 2.384 30 10 IEEE CN1CCN(c2ccc(Br)cc2NC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1=O 1147040128 SYTBWGWZQCWSNJ-IBGZPJMESA-N 443.301 2.271 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1147337802 VQKRZTXQGCKGEZ-GOSISDBHSA-N 429.521 2.021 30 10 IEEE N#Cc1ccc(NCC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)nc1 1147991111 WSDZLYRMYOSRBO-IAGOWNOFSA-N 431.418 2.428 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1157506084 BPOIHFLGHLFPTL-INIZCTEOSA-N 445.568 2.229 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1 1169549739 DRIHMMRGDVNMBY-UHFFFAOYSA-N 429.542 2.118 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)CC1 1171491481 UWIPQSHNZMDSQZ-QRFRQXIXSA-N 442.457 2.170 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)Cc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 1171791759 OIOGKNBIDOMKNI-UHFFFAOYSA-N 434.562 2.370 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1248484949 LSUFBPBSYDAIQC-HTAPYJJXSA-N 445.520 2.142 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC1 1251837738 KJOSYMKZEUZGQJ-RBUKOAKNSA-N 436.478 2.188 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1286297180 AROVSELODXJLTI-BZSNNMDCSA-N 431.562 2.068 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286341087 BGEUQHIENFOFPF-JKSUJKDBSA-N 436.607 2.451 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286386761 HCVBKYIILPOYRH-HXUWFJFHSA-N 429.590 2.304 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286394646 PESGTGKXGDHQKR-TZIWHRDSSA-N 442.585 2.231 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1286397271 YQBYRKBROFXPCD-ROUUACIJSA-N 438.594 2.209 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286504550 NPDLMMMMMONJNJ-ZWKOTPCHSA-N 429.521 2.313 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1286517029 BURRQKGRTILKSU-FGZHOGPDSA-N 444.557 2.146 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1286618229 XNLUILDGAJKIHT-RTWAWAEBSA-N 425.533 2.227 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286634656 ZHMSVLGCBSSOBY-QGZVFWFLSA-N 432.912 2.424 30 10 IEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1)C1CC1 1286736512 GATLYBXHSCAEIA-OAHLLOKOSA-N 443.556 2.119 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286787293 QVWXWHLYTQZWEM-AWEZNQCLSA-N 447.952 2.274 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286792025 KKCHKLPQDIWQRI-XUVXKRRUSA-N 425.533 2.186 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C 1286792791 HYFAILQULHDHKH-UHFFFAOYSA-N 442.539 2.369 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nnc(C)s2)C1 1286814490 SVCIQUSAEJYGPS-JZXOWHBKSA-N 434.566 2.186 30 10 IEEE CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1286944438 CJMPZIDOIPQELS-KBXCAEBGSA-N 432.912 2.326 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1292019700 DVJTZARZDNAZGF-OYHNWAKOSA-N 442.520 2.094 30 10 IEEE CN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298356625 BGCRHEWCDOWMGH-BSBNDGSWSA-N 440.479 2.084 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CCCCC1 1300329755 SBQPYGLUIKPQJW-HKBOAZHASA-N 445.608 2.495 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(F)c2)CC1 1300556627 KIQQAYAQSDVBKU-QGZVFWFLSA-N 443.548 2.222 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300626791 WTYHZFMAWVUARJ-FQEVSTJZSA-N 425.533 2.495 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1300755629 ZEJLMTSHXMGLBZ-UHFFFAOYSA-N 438.483 2.434 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1OC 1301379593 PBGIPBSNCASQDN-QUCCMNQESA-N 436.520 2.151 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C)(COC)CC1 1301499294 BDHWVGGOZLKNJC-IBGZPJMESA-N 441.532 2.346 30 10 IEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC)CC1 1301531279 IALWJVKQHVZKMD-UHFFFAOYSA-N 447.543 2.338 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)C1 1301555252 AEBPILLJCZBLSI-JKSUJKDBSA-N 437.591 2.051 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 1301555716 DBBMNJRWHYCHDT-RTBURBONSA-N 446.573 2.327 30 10 IEEE CC(C)(C)OC(=O)c1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1301727753 YPFJGMMOJNBGAA-UHFFFAOYSA-N 429.498 2.108 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1NC(=O)CO2 1302904810 SFCOSTQQIQQYKY-UHFFFAOYSA-N 442.497 2.255 30 10 IEEE Cc1nnsc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1304098050 DUXUAFLMIZNULT-SJORKVTESA-N 436.545 2.368 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1)C(=O)OC 1306834346 DNVTULNQOVHGGV-OAQYLSRUSA-N 435.480 2.496 30 10 IEEE CCNC(=O)C1(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1313979392 DHGFTPJXHWRYCC-JTSKRJEESA-N 432.569 2.363 30 10 IEEE COc1ccc(OC)c(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)c1 1315516545 DODDHIOIYLXVIO-CRAIPNDOSA-N 426.521 2.475 30 10 IEEE C=CCN(C(=O)c1cnc2scc(-c3ccccc3)n2c1=O)[C@@H]1CCS(=O)(=O)C1 1318161707 TVAVICBFMODGJJ-OAHLLOKOSA-N 429.523 2.238 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1358918965 NBVZXEMEXOWYOJ-IAGOWNOFSA-N 430.553 2.277 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1358945951 BHNNOTCIUQBYRD-GOSISDBHSA-N 433.560 2.476 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358970512 QDJYRWOYSMRZBF-WZONZLPQSA-N 445.564 2.305 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)N(CC)CC)CC1 1359037832 YTTCAZRCGVNEIZ-HXUWFJFHSA-N 434.592 2.002 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1359255972 PZLLIIYBHUYDMZ-FZEVHQGJSA-N 438.557 2.205 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(F)(F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359306123 WYNXKGGWSRSGCY-OKILXGFUSA-N 440.495 2.196 30 10 IEEE Cn1cnn(-c2ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cc2)c1=O 1435693654 FQELQBCJOYUGIQ-QGZVFWFLSA-N 428.493 2.487 30 10 IEEE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)c(OC)c1 1438186587 RYIZKZZZYDTPBJ-GOSISDBHSA-N 434.496 2.277 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)c1 1443623144 YHZDYCLBMSNCNT-LJQANCHMSA-N 426.542 2.235 30 10 IEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c1 1457937350 WYLORGARHCVIMT-UHFFFAOYSA-N 426.310 2.205 30 10 IEEE C#C[C@](C)(CC)NCC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1460131009 LRIBLSPSNFERQS-MKRMIXIUSA-N 445.541 2.248 30 10 IEEE C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1460291680 YVXOXJZRLVKJHP-OALUTQOASA-N 433.574 2.078 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(-c2cccc(F)c2)c1C 1460603377 CAJGJROJFPKBPG-ZRZAMGCNSA-N 437.475 2.028 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 1474682030 RZJIULNWZYOTLM-QHCPKHFHSA-N 432.634 2.010 30 10 IEEE C=CCc1cc(CNC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc(OC)c1OC 1477657664 LEKBFVUYLSHSDF-UHFFFAOYSA-N 437.493 2.218 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCC(=O)N(C)C)n1 1492755747 IDJWCDRAZZJCLU-RTWAWAEBSA-N 446.559 2.362 30 10 IEEE CN(C)C(=O)Cn1c(CCCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503375173 LLCHEFKEEQTVLK-UHFFFAOYSA-N 445.527 2.077 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)C1 1503724822 GHPVZRFUXCUVHA-QHCPKHFHSA-N 431.500 2.231 30 10 IEEE CO[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503942512 CPYSEFNPTIHUNN-GOSISDBHSA-N 448.575 2.338 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1504174600 AKEDECRSEYOEBG-QFIPXVFZSA-N 436.472 2.177 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507607902 CQHBQBJVYBHHHX-ZDUSSCGKSA-N 425.917 2.089 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(CC)C(C)C)CC1 1507722847 LLBYUMFUVJKWPM-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 1507805675 NFKDCGTURUFLTL-LNLFQRSKSA-N 426.521 2.379 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1507938156 ZJAGYXYXWDXMEJ-WMZOPIPTSA-N 426.583 2.372 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1507975062 KKGPFHBVMJHPTJ-XUTLUUPISA-N 438.488 2.111 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1508014931 YIYGTSDLVJWKDG-HXUWFJFHSA-N 444.605 2.274 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1508159053 QCYRVICWDVUBQX-UHFFFAOYSA-N 438.575 2.116 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1508797314 RFNWARZOWAEWKG-IBGZPJMESA-N 447.547 2.449 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CCOC1 1516141462 HFXOHBUKPSNXTF-HSZRJFAPSA-N 440.548 2.210 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1516793427 GRENQPBKSVCSCD-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1517625929 IEUVNEJHVRHSEG-OAHLLOKOSA-N 442.467 2.145 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1519426371 YVYOMKDQKGFTIU-XWSJACJDSA-N 433.553 2.184 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2Cc2cccc(Br)n2)C1 1521062873 KQYLHPGWPYVNJQ-QGZVFWFLSA-N 429.257 2.383 30 10 IEEE COc1cc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)ccn1 1527273467 CTQVWAWWWBJKMR-NKFKGCMQSA-N 432.502 2.058 30 10 IEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCc3c(C#N)cccc32)cc1 1529231616 HCVZLJWCHZLKPM-UHFFFAOYSA-N 443.525 2.045 30 10 IEEE CSC[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1531717643 FIJVMQOQUROCKD-VAMGGRTRSA-N 440.569 2.114 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539147220 DFXBGZIGBJYLAE-RBUKOAKNSA-N 445.589 2.386 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1539203947 WLFLGHSXNMSQNW-GOSISDBHSA-N 440.573 2.387 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1539212297 UDWWMOQKUJSHNX-QGZVFWFLSA-N 431.562 2.030 30 10 IEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1539231362 RPJIPNJDDCZITA-UXLLHSPISA-N 449.577 2.010 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(=O)N(C)C)CC1 1539430026 FVEPGGNKIORPQO-UHFFFAOYSA-N 449.584 2.220 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCCN2C2CC2)CC1 1539482187 JPIQCHUYJDSDKL-NRFANRHFSA-N 426.609 2.459 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1539499723 OKMDXWRINWQPAL-IYBDPMFKSA-N 434.587 2.329 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1539512728 GYHYTAKLRHIJJZ-LJQANCHMSA-N 426.590 2.255 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(CCOC)c2)CC1 1539832734 XUPRZUKUCKSKOJ-QFIPXVFZSA-N 430.553 2.366 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCC(C)C)CC1 1539873893 GJJSORGIOMHMJE-JXFKEZNVSA-N 427.615 2.478 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1540196210 UGMSWTWOWZJTAV-UHFFFAOYSA-N 444.536 2.273 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1COCCO1 1541183898 WUKLMOQZSCVEOC-LJQANCHMSA-N 439.564 2.265 30 10 IEEE CC(C)[C@@H]1CCc2c(sc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2C#N)C1 1544589869 MIXGFCWFSIFHGJ-GFCCVEGCSA-N 433.559 2.464 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1546857687 VSFKIBVFEPQZRV-MZNJEOGPSA-N 449.559 2.228 30 10 IEEE COCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1555444577 ZWBQIBJGLGIDJI-AVRDEDQJSA-N 433.553 2.254 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C2CCN(C(=O)OCC)CC2)s1 1567909687 ILAFBDUAWUTARJ-AWEZNQCLSA-N 443.591 2.128 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)c1 1570659707 XKAKXQNWRUVZAS-UHFFFAOYSA-N 435.542 2.352 30 10 IEEE C#CC[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1585881559 CEOGIONPXQFWSF-KRWDZBQOSA-N 432.542 2.136 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C1CC1)N(C)C 1587662985 SITJXLOTDGRDLU-URXFXBBRSA-N 449.647 2.441 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588065330 WWNGPPIPMFVGRM-SXLOBPIMSA-N 434.606 2.453 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1593827014 VFXRKFQHQWRGJY-UKRRQHHQSA-N 447.923 2.438 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCOC1 1593833903 FRQKOIZODHDBIS-HNNXBMFYSA-N 439.969 2.421 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594545012 PQLUDVYSQKNPTK-NHCUHLMSSA-N 439.560 2.437 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCCC2)CC1 1595562372 WRJAUPIAMPEDBH-UHFFFAOYSA-N 429.594 2.001 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCS[C@H](C(C)C)C1 1595811867 FAOWMSNMOFBQRL-SFHVURJKSA-N 435.619 2.443 30 10 IEEE Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1CC(F)(F)F 1598069948 OVTHMGLDBMXGOU-CQSZACIVSA-N 434.378 2.469 30 10 IEEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1608103406 DMTPOTKELQUXFL-UHFFFAOYSA-N 431.352 2.248 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C)c(N3CCNC3=O)c2)s1 1617983082 VFFVUIYTDOAKFP-UHFFFAOYSA-N 434.543 2.232 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1618575231 AQAZVAIATIGISC-XMMPIXPASA-N 449.559 2.182 30 10 IEEE CSC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1620181381 QTQUKUWSVMGUDE-UHFFFAOYSA-N 442.593 2.151 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 1627769677 UGCXIXTVLWDUHE-UHFFFAOYSA-N 444.488 2.077 30 10 IEEE C#CC1(NC(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CCCC1 1630970367 OFROWCFWJHNIRI-UHFFFAOYSA-N 426.561 2.017 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1 1633958816 SHUXBGWOYWXQAH-PGRDOPGGSA-N 447.557 2.260 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1 1635033741 BAKCMQUTUNHLIZ-HNNXBMFYSA-N 441.937 2.252 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 1635089333 YNMCSZFYAOWSJA-GFCCVEGCSA-N 433.914 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1642543035 JINUAOOPMYSMGH-JOCHJYFZSA-N 430.480 2.157 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CCC1 1645282647 IHYMQPNVSIPCRQ-UHFFFAOYSA-N 434.562 2.424 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)c1 1652505408 VRJANAKQIWSULY-QGZVFWFLSA-N 426.416 2.080 30 10 IEEE C#CCN(C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1676466611 QKJZLFQMVKNZDV-OAQYLSRUSA-N 449.640 2.303 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1689827812 JDOVWVOMBNAJKJ-ROUUACIJSA-N 441.532 2.134 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@@H](C)O)cc1 1689959975 UBLKAJCEGTXYPO-MRXNPFEDSA-N 438.557 2.409 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689992358 JYTZOZULXZJYBZ-IBGZPJMESA-N 432.594 2.089 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC(C)CC1 1690025320 LZEANXBXSCMEBT-UHFFFAOYSA-N 438.601 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2csc(C)n2)CC1 1690148385 FPKKNPVHIXRNMA-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690351013 FLNDTAVJUBZPSJ-IBGZPJMESA-N 444.967 2.009 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690480338 FRVUDNXKWJHVFQ-SJORKVTESA-N 448.593 2.445 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1690517759 NRRQFEDDZDIJCY-UHFFFAOYSA-N 430.310 2.211 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1690700255 PPAFVCVBBVDYJA-XRXFAXGQSA-N 433.597 2.453 30 10 IEEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1693663631 IEDHOQRFRJXICG-VQIMIIECSA-N 428.562 2.477 30 10 IEEE COCCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697967762 NVPBBWHPLCWAGI-LJQANCHMSA-N 425.537 2.192 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(C2CC2)C1 1705481137 AKPCQZRIZLHNFH-DLBZAZTESA-N 427.574 2.291 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705566224 MIHCQFYSFMOGKR-OAHLLOKOSA-N 439.463 2.244 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)noc1C 1705606865 IWGXWDRZDBOXLL-UHFFFAOYSA-N 442.545 2.308 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705647182 AHDNCEKZJXCJHY-WCAVRKLYSA-N 431.581 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCOC)CC1 1705650004 KVZJTQWMOMLJDM-UHFFFAOYSA-N 427.524 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CN(C)C(C)C)CC1 1705932052 JEBQZVCYJRGMPE-UHFFFAOYSA-N 448.637 2.441 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)c1=O 1710189963 DWDFGWVNYVGJCD-IBGZPJMESA-N 432.484 2.046 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1711166283 WKCTZMIZGRORCA-IBGZPJMESA-N 427.505 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1722293656 DNLKEKFGMFNLJG-YJBOKZPZSA-N 430.530 2.216 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 1722333760 ZCMZCPWNCNOVKG-CQSZACIVSA-N 427.368 2.473 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1722411749 ONFJNXOYEIPZGZ-YZZKKUAISA-N 447.580 2.392 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cccnc2OCCOC)CC1 1722439516 FJZWCOXVDWMTLM-UHFFFAOYSA-N 438.576 2.235 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C2CCCC2)CC1 1722452741 KILOWDFUIVAADX-UHFFFAOYSA-N 430.622 2.335 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722472181 GCCNFUNTZXWCEV-AUSIDOKSSA-N 441.601 2.451 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C)C1 1722707213 JHQHLQBUZSTOSD-WMZOPIPTSA-N 432.546 2.018 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1740625099 NUYJABVXDYBQHF-QGZVFWFLSA-N 427.530 2.150 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740625685 SECYJXHLIFUTMU-IEBWSBKVSA-N 432.615 2.442 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740626152 JWFHMNXKKSADQC-QGZVFWFLSA-N 433.578 2.341 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1conc1COC 1740637144 ROCHUBZLOIVWSP-UHFFFAOYSA-N 427.468 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1740645511 OFMWULXBAZPJAA-IPMKNSEASA-N 432.590 2.094 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740675628 FTCLNPGJILRHFO-SFHVURJKSA-N 433.553 2.462 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1740734770 NQAXCSNRWKDHNV-OAQYLSRUSA-N 447.536 2.024 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1740800736 HWCAIJVKPIAUOH-CYBMUJFWSA-N 437.331 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCc2ccccc2)CC1 1740957537 RIGNDYAXWIFLEU-UHFFFAOYSA-N 431.544 2.007 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)C1 1740980876 RUQWFSZETWVVCF-CABCVRRESA-N 434.447 2.055 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCOCCS(C)(=O)=O 1741127930 LKEVBKSXLJCMFR-CYBMUJFWSA-N 443.932 2.395 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CCN1CC(F)(F)F 1743253595 BXTDIUFMCBQMKB-CQSZACIVSA-N 445.453 2.066 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC(C)(C)C 1744090962 KUBJGRNACDYZHG-SFHVURJKSA-N 431.585 2.188 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C)cs2)c1 1748693104 XZVQSWOKJVUJHL-QGZVFWFLSA-N 449.540 2.099 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CC 1748843045 YTNFGLJVTIBDBT-IBGZPJMESA-N 443.555 2.232 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)COC 1748892504 PPNAJODXJSIUME-OALUTQOASA-N 445.564 2.332 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCSCC2)cc1 1748907386 SZNFUDWAHXERSE-UHFFFAOYSA-N 426.590 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCCC2)CC1 1749008807 GIMITKNITPPILF-UHFFFAOYSA-N 435.576 2.182 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCc1cnccn1 1749141376 BGPJAMWWQHVDAS-MMKMLUHNSA-N 442.564 2.452 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1749210806 OVFKRVHNPSVJSK-WJOKGBTCSA-N 445.589 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 1749727054 MENQUTGJCOVBHQ-UHFFFAOYSA-N 447.605 2.475 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)C[C@@H]1O 1750338499 CPDGBGKIEPNHHE-APWZRJJASA-N 431.562 2.051 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1751089244 DHRUNSXZKLGOQM-AWEZNQCLSA-N 449.357 2.302 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1752271753 MDILEYAMYOJFIU-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccco1)N1CCCCC1 1760192585 KKGUAXTXCZUARQ-HXUWFJFHSA-N 434.544 2.407 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1760256924 LVYWBYYUWNTZBC-LGVFNWMJSA-N 443.592 2.055 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760277213 DFMIIIUCLJZUME-FUHWJXTLSA-N 444.513 2.443 30 10 IEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1760358921 BWPSEOOOBPUSHC-UHFFFAOYSA-N 437.548 2.404 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760399076 XYJXRRVHVPDPRQ-JOCHJYFZSA-N 430.574 2.460 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1 1760491166 VTZOORGWJZLJGY-UHFFFAOYSA-N 449.353 2.083 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760519992 XADKSOCPHFXPGO-RBUKOAKNSA-N 441.532 2.412 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NCC)c2)C1 1760544459 ALGIYZZKRAUDKI-FQEVSTJZSA-N 435.532 2.258 30 10 IEEE C=CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568685 PLIUVPUFXVOTDD-DYESRHJHSA-N 435.594 2.049 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1760874760 PAGSWQIXFOHVNW-DHIUTWEWSA-N 441.532 2.131 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)c1ccccc1 1764187194 GEJCYTNCXYRFIG-XLIONFOSSA-N 439.564 2.450 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1CCCCO1 1769843734 VKNDBUBMXGRFPR-MRXNPFEDSA-N 430.509 2.331 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1769846796 HKBJOYMGDBNYFP-GOSISDBHSA-N 445.593 2.259 30 10 IEEE COc1ccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)cc1 1770295014 XBVDHDOTDHXWSB-UHFFFAOYSA-N 438.488 2.453 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CCCn2cnnn2)cc1 1771534587 HJKDXUVZDHGYGG-INIZCTEOSA-N 443.462 2.287 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)c3cc(-c4ccc5c(c4)OCO5)[nH]n3)CC2)nc1 1852011962 YARAVVUFVWWXNL-UHFFFAOYSA-N 446.467 2.051 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1cc(OC)c(O)c(OC)c1 1864956715 FZRKMWFUCFXHIV-MRXNPFEDSA-N 428.489 2.092 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)c2ccccc2)cn1CCO 1870413392 XFZYETKHNVXRFA-IBGZPJMESA-N 425.529 2.271 30 10 IEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870535000 BFCHLPWWBXLJTF-WOJBJXKFSA-N 432.609 2.349 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2(OCCO)CCCC2)[C@@H]1c1ccc(C#N)cc1 1889484823 QEEWAABZWPKIDF-SFTDATJTSA-N 445.585 2.390 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1C#N 1891060774 PSFXGTWWBYZAHX-UHFFFAOYSA-N 442.458 2.492 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060727747 HSNJOCNRUSXPJW-PWRODBHTSA-N 442.560 2.495 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247833843 MMYSHYUGMWXKQX-BETUJISGSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255697943 FCNCCAUMUZKKJR-JLCFBVMHSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255699968 VSNZVGANWQKSTI-UHFFFAOYSA-N 431.342 2.414 30 10 IEEE Cc1nc(NC(=O)[C@@H](F)CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256640700 QMJLOVSVSLKUTJ-AWEZNQCLSA-N 438.309 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2266061722 JJBZYPOJGOOACE-HZPDHXFCSA-N 447.341 2.328 30 10 IEEE Cc1c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997176 KXDVAPYFPSVFJT-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267096952 MGBHJPOJWFFPJD-PEBXRYMYSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267147964 YFWODICGODVQFZ-GASCZTMLSA-N 446.357 2.323 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267178792 HFTHONNFDVWQAB-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 2267196900 URXVJFNBVSWYJA-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CCn1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267484649 BMTNVDBIRSQCPP-LSDHHAIUSA-N 448.373 2.330 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2267498228 SMPLYAIQUYTIGL-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267501618 AHTUKIZGZIRGBS-CABCVRRESA-N 448.373 2.285 30 10 IEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCC1 2267878860 CGROJHQPXYHQIP-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)C2)C1 2268987688 MPTYUWAYNKLCHE-UHFFFAOYSA-N 447.385 2.328 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2278709998 ONSSAIFZIULTTB-GOSISDBHSA-N 448.369 2.450 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(OC(F)F)C3)cc2Cl)OC1(C)C 2282830013 NXTIYPLBDRTMJT-UHFFFAOYSA-N 429.703 2.313 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@@H](N)C#Cc1cccc(Br)c1 2313858213 DWDIXLGHBLQVKJ-LSDHHAIUSA-N 431.352 2.066 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccccn2)cc1 2326251936 HDCYMXQMLFIGOK-UHFFFAOYSA-N 426.502 2.153 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2N=Cc2cccnc2)cc1 2330736033 BGWWBCVNFYDDMD-UHFFFAOYSA-N 437.529 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263285 XWOYQEBYUQGQTB-DARAHFNDSA-N 446.357 2.131 30 10 IEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)c1 59884682 FDVPXYMOKUFWGP-KEBDBYFISA-N 427.446 2.330 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)cc1 410241600 MJIDFYWFFNBBQW-UHFFFAOYSA-N 438.509 2.334 30 10 IEEE CCOC(=O)[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 461191663 HVHRQOXUHWFRSR-VQTJNVASSA-N 448.479 2.226 30 10 IEEE CCN1CC[C@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)C1 471231406 HHCGDRCALSWZPF-MJGOQNOKSA-N 440.548 2.117 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CN2CCCCCC2)C1 481437840 WEIHCZSGFCAESV-ICSRJNTNSA-N 432.590 2.340 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 482221528 FERHQTYTKHINSV-FUHWJXTLSA-N 442.541 2.019 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489136484 QQUWSQRWAUIHDB-LJQANCHMSA-N 448.932 2.136 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C)cc(I)c2)CC1 490541135 HTAXOOGEPVPMDP-UHFFFAOYSA-N 442.301 2.051 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508509802 PCQWPKBOANLVAC-QFBILLFUSA-N 435.488 2.360 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 508881317 PJXCDKMOBGIVOS-MRXNPFEDSA-N 435.532 2.263 30 10 IEEE COc1ccc(CCn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccn3)c2=O)cc1 523306605 XSFVEDJKLADUTA-UHFFFAOYSA-N 445.544 2.428 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccccc1 530653372 KQXRLCAMSZDHAT-UHFFFAOYSA-N 448.573 2.167 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 539588113 XXEGZEROBJZGGD-LJQANCHMSA-N 438.494 2.116 30 10 IEEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCS1(=O)=O 546608861 UWKQJNPUFPPYCW-INIZCTEOSA-N 426.542 2.285 30 10 IEEE CC(=O)NCCN(Cc1ccc(Br)s1)S(=O)(=O)CC1(C#N)CCC1 567521764 SLANSTGRXJHOHR-UHFFFAOYSA-N 434.381 2.472 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)OC2CCC(NC(=O)Cc3ccncc3)CC2)c1 586510238 QBSJVYDVKMIZNU-UHFFFAOYSA-N 434.514 2.474 30 10 IEEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc2)CC1 609254588 YMKWLMCRSQRVDN-UHFFFAOYSA-N 438.507 2.229 30 10 IEEE Cn1cc(C#N)c(NC(=O)N[C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)n1 616096399 VVQAWPZKGSWGJS-IAGOWNOFSA-N 438.488 2.097 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCO1 619853447 WQWMIAHCIIRFCR-QRWLVFNGSA-N 447.540 2.168 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccc(F)c(CN(C)C)c2)cn1 734296999 XHTZJLDKOQGDHF-SFHVURJKSA-N 446.552 2.372 30 10 IEEE C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(=O)O 757301108 RYXCWVLTHPTAFS-NHCUHLMSSA-N 438.480 2.422 30 10 IEEE CNC(=O)c1cccc(OCC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 758830338 AGHUPJUAMPUIPT-HNNXBMFYSA-N 427.432 2.443 30 10 IEEE CC(C)CN(CC(F)(F)F)C(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1 762771254 ZNTCHAGSBMKEOK-UHFFFAOYSA-N 430.471 2.332 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 765282664 WZCZHNHUBDYDHW-HZPDHXFCSA-N 440.525 2.229 30 10 IEEE COC(=O)Nc1ccc(C(=O)NCC#CCNC(=O)c2ccc(NC(=O)OC)cc2)cc1 773781006 BQKVQIZSLBBTAR-UHFFFAOYSA-N 438.440 2.206 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2CCCN(CC#N)C2)[C@@H]2CCCO[C@H]2C1(C)C 783900539 SQMJOXFWUKEKRO-JFNLIGNMSA-N 434.581 2.437 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)CCCC1 786295328 AAJIWMFQRROHKQ-UHFFFAOYSA-N 437.500 2.328 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)sc2C)n1 788694379 OWQWIYLULUBRDM-UHFFFAOYSA-N 432.365 2.486 30 10 IEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC)[C@H]1CCS(=O)(=O)C1 812044789 NXVBLQXKCSXMHP-IRXDYDNUSA-N 432.546 2.463 30 10 IEEE COc1ccncc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 814211905 UYTRKLOKUAHSKA-IBGZPJMESA-N 441.557 2.290 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cn3c(Br)cnc3s2)cc1 815895584 YPPMOABLIXLJQQ-UHFFFAOYSA-N 425.289 2.290 30 10 IEEE Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)nn1C 919590934 VZTNYPPDMLZCJR-OAHLLOKOSA-N 425.489 2.255 30 10 IEEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)o1 1084456301 MPPBHGSHDDOIJL-UHFFFAOYSA-N 445.465 2.074 30 10 IEEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n2)o1 1084615376 ARBXCLYDZFYYDP-UHFFFAOYSA-N 445.465 2.074 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2nnc(C(F)F)o2)cc1 1125136399 FYJYHAXJAZSXMU-YDZHTSKRSA-N 427.433 2.391 30 10 IEEE CCOC[C@@H](C(=O)OC)N(C)C(=O)COc1c(Br)cc(C#N)cc1OCC 1127191663 AGTIEICRFSAFCC-AWEZNQCLSA-N 443.294 2.135 30 10 IEEE Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C2CCOCC2)n1 1127266694 FPRIRMBJNHFXIX-SFHVURJKSA-N 436.472 2.258 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3nn4c(c3Br)CCC4)C2=O)cc1 1128016715 SEARXCHSTYGMDU-CQSZACIVSA-N 428.290 2.389 30 10 IEEE Cc1cccc2c1C[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N2C(=O)OC(C)(C)C 1136672333 KDDAXJDKGRGQMI-UFVMTTLYSA-N 440.500 2.304 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 1143293539 IHNZSIQDUOKESC-HZPDHXFCSA-N 430.977 2.081 30 10 IEEE C=CC[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OCC 1154004120 HFARLFMSAQSQTA-IFMALSPDSA-N 449.507 2.124 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)C1 1154959645 VHCMUVNWMCYRKW-HOJAQTOUSA-N 447.601 2.380 30 10 IEEE C=CCN(C)CCN(CC)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1156672464 PIHNOGMYNFLXEL-UHFFFAOYSA-N 435.366 2.486 30 10 IEEE N#Cc1ncc(N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)nc1C#N 1186526315 DBOLZQIHVJTXRE-XMMPIXPASA-N 437.507 2.400 30 10 IEEE C#C[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1)C1CCOCC1 1231331227 ICTIMNQFCUWPCY-IAGOWNOFSA-N 425.407 2.196 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ncc(Br)s2)C1 1233852522 LHJGNCJECVEQQL-UWVGGRQHSA-N 430.328 2.464 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1275083640 HYHSAGYSDNGZNT-UHFFFAOYSA-N 438.431 2.242 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC(F)F 1286279953 YRIDVWHYYIKYDF-ZIAGYGMSSA-N 441.504 2.190 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1 1286306567 WKDYGVCTWZMJNV-OALUTQOASA-N 428.556 2.480 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286319288 YZMNUQDFTFAEPF-UYAOXDASSA-N 445.589 2.140 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1 1286341019 AXBMHPDPYPOWCG-MRXNPFEDSA-N 440.573 2.388 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1286360687 VTANTGQISADQMT-DEOSSOPVSA-N 437.544 2.306 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1286376594 MCLRTXNLDSDHFX-YJBOKZPZSA-N 435.981 2.206 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1286426212 NZMBJVCUAPOPPJ-RBUKOAKNSA-N 444.539 2.206 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1286449899 AGVYDENVZXVGFS-ICSRJNTNSA-N 444.605 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCCn2ccnc2C)CC1 1286490642 ZQZGMGQPSKVIHH-UHFFFAOYSA-N 446.559 2.291 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C)[C@@H]1C 1286782844 AXJLTYNKIIRYQF-LSDHHAIUSA-N 429.546 2.349 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)CCC)CC1 1286788870 JBBCQYSCSNYJLA-UHFFFAOYSA-N 442.539 2.195 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1286798341 GYDJSNMGGMBHRC-UHFFFAOYSA-N 436.516 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1286814980 JJUXLKCPPXWFFM-UHFFFAOYSA-N 440.573 2.092 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C)c2ccccc2C1 1286818704 MXFXQNYUCNAONQ-UHFFFAOYSA-N 426.546 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1CSC 1286823389 MSOCTAZBRIIRAV-QGZVFWFLSA-N 438.623 2.072 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(-n2cncn2)c1 1288097801 GYVNYMJICBUVNL-UHFFFAOYSA-N 433.520 2.175 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CCO1 1288351953 BTXDFFBBQHBLMC-KKIUXKEOSA-N 443.573 2.358 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C 1300310650 YHKARAZMBZXCDP-MRXNPFEDSA-N 432.569 2.329 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1300488782 WIHKUIDKEIHQCK-KRWDZBQOSA-N 433.603 2.356 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1Cc1cccnc1N1CCOCC1 1300545584 SKOUVARPLPUISF-UHFFFAOYSA-N 440.551 2.416 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(OCC(F)(F)F)nc1 1300664441 PHCIOZMNYHRWLW-UHFFFAOYSA-N 447.421 2.206 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1300690548 DEEWJAXSVJGZCG-SSEXGKCCSA-N 429.590 2.256 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCN(C)CC2)CC1 1301085900 QOIZZCBKNHLIQX-KRWDZBQOSA-N 439.651 2.164 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301249373 SJTIMANHEWHIKJ-FQEVSTJZSA-N 440.548 2.069 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC)C1 1301278973 SZVIBCNEELIEOB-KRWDZBQOSA-N 432.594 2.159 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1301502557 KMWIHKZTPZZUDT-XMMPIXPASA-N 438.576 2.014 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCC2)C1 1301534894 FPCSZQDDTPEWHQ-QGZVFWFLSA-N 426.521 2.402 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1303497331 RJIAYQHSAISVJP-YADHBBJMSA-N 448.543 2.163 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N(C)C 1303887189 GKUQCILCQOHJRX-HUUCEWRRSA-N 438.529 2.187 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1306741015 BBEUJNFSCAQHLC-UHFFFAOYSA-N 437.548 2.086 30 10 IEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1313895384 HRGHVVBUCCRXGC-WOJBJXKFSA-N 442.589 2.314 30 10 IEEE Cc1cc(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)nn1-c1cccc(C#N)c1 1323597024 VFHZLVPGKRSGEY-QHCPKHFHSA-N 428.452 2.037 30 10 IEEE C=CC[C@H](NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12)C(=O)OCC 1324193331 RLMOLNNSULOBJE-VSEBHHSRSA-N 448.519 2.090 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1F 1341111318 JXOWQLMWBQYYRR-HNNXBMFYSA-N 444.528 2.355 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1358902767 YUUBHVNPCIEZHH-KRWDZBQOSA-N 441.557 2.037 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1358916503 NJZHPMCUQJTQRH-VGOFRKELSA-N 443.573 2.457 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358928341 AELOGKJGRHXFTN-HKUYNNGSSA-N 425.537 2.331 30 10 IEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1358953601 BTQNIOLLECCBIB-INIZCTEOSA-N 434.587 2.473 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1358959209 DTVRMBFPMCSBMQ-UXHICEINSA-N 441.601 2.365 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1358964636 CQSFBAFVYDWCGC-AIADIJKESA-N 428.558 2.470 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1358967135 DYDFPZXOSWGPKH-GOSISDBHSA-N 444.488 2.264 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1358983364 FKRQMUMYVUGOLN-SFHVURJKSA-N 442.564 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1Cc1ccccc1 1358992838 YCAZHCPIFJDJTE-YADHBBJMSA-N 430.556 2.357 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)CC1 1359179345 SJDSQDKPKHMPTK-INIZCTEOSA-N 449.543 2.467 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359202413 RYFCZAALNCODPF-ROUUACIJSA-N 429.569 2.168 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C(C)C)C1 1359314765 HOLZUUTWHBKVMF-LJQANCHMSA-N 447.605 2.470 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCOCC2)C1 1359325614 JEWGKCGSQKDAFS-RBUKOAKNSA-N 445.539 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1359336254 JPSRAMDQQXTPHF-GOSISDBHSA-N 448.545 2.486 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359811045 BUIPRLKSVOSFCQ-XGHQBKJUSA-N 432.523 2.265 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1360471576 KDODFNAPPBSGGZ-KGLIPLIRSA-N 437.957 2.013 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1360475482 AZSSOTNHNLTVNI-JKSUJKDBSA-N 434.541 2.204 30 10 IEEE CCc1ccc([C@H](C#N)NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1 1436556281 MYOGCVUQDXDKAG-SFHVURJKSA-N 434.539 2.062 30 10 IEEE C[C@]1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)C[C@H](O)CN1C(=O)OCc1ccccc1 1456514626 TXGYFIAAUJVBJH-SIKLNZKXSA-N 428.485 2.013 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1462376133 HDMMPFWJWHMGBH-AWEZNQCLSA-N 446.392 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)cc3F)C2)C(=O)C1 1467266536 DMLYGOIPPIHBCM-INIZCTEOSA-N 430.480 2.381 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2COC(=O)N(C)CC)s1 1467825960 PVIXDVDDNXLECF-HNNXBMFYSA-N 443.591 2.224 30 10 IEEE CC(C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1(CO)CC=CC1 1469590396 SKJIMHTYEWGPSF-OAQYLSRUSA-N 445.585 2.428 30 10 IEEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1469871919 IJMSZOYTFHMRGS-RTWAWAEBSA-N 425.485 2.382 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C)c1ccc(Br)cc1 1470663086 KNGLVQLLKRIEOL-CJNGLKHVSA-N 428.352 2.189 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1471536373 UQICEKANIONQPR-FQEVSTJZSA-N 445.541 2.180 30 10 IEEE C#C[C@H]1CCCCN1CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1473868892 YQMYWZDWWNOCDA-IBGZPJMESA-N 437.544 2.056 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)cc1 1476057532 BEOMGXKUTBOHAG-UHFFFAOYSA-N 436.512 2.417 30 10 IEEE CCCCCN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)Cc1ccccc1 1478928724 JAIJLPYPMMEVBB-UNMCSNQZSA-N 432.590 2.259 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1492901361 IFRSKZQNAWOFCD-ROUUACIJSA-N 441.555 2.423 30 10 IEEE CC/C=C/Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1499793422 LJQBIGDSPSGTEP-ZZXKWVIFSA-N 443.515 2.485 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1500720232 DXFVTQAEVVIYPZ-SLNYWTKHSA-N 441.580 2.240 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1507632267 KIAKEOAJZWXFLO-IAGOWNOFSA-N 449.602 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cccn1 1507666427 CBVYKXCIXDDXHG-UHFFFAOYSA-N 426.484 2.344 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1507812710 YQUYIOPUCSWKNJ-LZJOCLMNSA-N 441.532 2.159 30 10 IEEE CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1514403972 MZESOXYAIXEPMA-QGZVFWFLSA-N 432.550 2.114 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCCOC1 1515186881 NVBRQUGSBSMMIZ-GVDBMIGSSA-N 425.526 2.438 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)C1 1521062614 GCDAHTUXJHURLA-AVRDEDQJSA-N 444.486 2.460 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(F)F)CCO1 1521122070 SGKNXGGRWUZHOI-LLVKDONJSA-N 431.241 2.394 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)n1 1538916774 MEKNMOCAAWNWGC-MOPGFXCFSA-N 447.333 2.427 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1539093792 FGXVBLPODKCORN-AOIWGVFYSA-N 431.562 2.268 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1539115627 FOANLKCEKKVYJN-UHFFFAOYSA-N 444.587 2.403 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ncccc2F)CC1 1539132854 RRPDIRVFUYDUSZ-UHFFFAOYSA-N 426.496 2.396 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539211886 PXIKWUYSLLXSAL-FQEVSTJZSA-N 429.590 2.302 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539226209 VECNIPSZBBKJGP-INIZCTEOSA-N 441.538 2.070 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 1539617284 VILGANDDOXOFDW-BMFAXAFESA-N 449.577 2.456 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539961498 XFRKUCJGPBQFSN-UHFFFAOYSA-N 435.598 2.285 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)COC1 1540140475 WOCLJMGISGYIEA-AWEZNQCLSA-N 425.580 2.179 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 1540870880 YZTWFMOSZBREMI-ROUUACIJSA-N 438.580 2.237 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N(C)C 1541798976 VPTDBZKLJGJGPJ-QGZVFWFLSA-N 430.578 2.378 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1541802995 BFGWKTRUSRPKSU-AEFFLSMTSA-N 426.521 2.436 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)c1 1542686198 JBWYJDLLMMYVHQ-RTWAWAEBSA-N 441.532 2.480 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1544756400 VCGBYRJZHYVMBR-QFBILLFUSA-N 446.502 2.398 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)c2cncc(C)c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367919 WQJZOBPIWNHTLM-GOSISDBHSA-N 431.418 2.358 30 10 IEEE N#CC1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555992364 OUVJAIATPLIVTR-GHVJWSGMSA-N 445.527 2.330 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1587561365 DGFCNOQAORVNBY-JKSUJKDBSA-N 443.577 2.095 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1588872176 YDBDPSZCXZJLBK-SFHVURJKSA-N 434.585 2.073 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1589109733 JDBAEDKVSUZQGE-RTBURBONSA-N 431.606 2.410 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NCCC)C1 1594004057 RYKGIURDGJMXMY-ULQDDVLXSA-N 425.961 2.497 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1594720781 XAFSZXAOEINOAZ-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1594824604 MRRKLKFLTPSCFZ-GOSISDBHSA-N 446.596 2.124 30 10 IEEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cncn2)nc1 1595229701 WDJSUXLYNFBKLM-UHFFFAOYSA-N 430.520 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1595760595 QQFMIHPYDCJLNH-UHFFFAOYSA-N 447.609 2.242 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1596822054 HEIHVFVZVNBPPY-VQIMIIECSA-N 431.562 2.361 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1611308674 RUPJNHBDLHVDLC-QAPCUYQASA-N 445.545 2.012 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(C)CC2)CC1=O 1619951459 FEWCCANQKPMQPX-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]2C[C@H]21 1620638316 ACOACIAJYSJQJH-RCCFBDPRSA-N 445.589 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](OCCN4CCCC4)C3)C2)C1 1622395622 FOWIHSSZFWOVGA-ZUKXXSLGSA-N 446.592 2.487 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)CC2)cc1 1625120978 AHSRXFJOEWSMGV-FGZHOGPDSA-N 439.537 2.211 30 10 IEEE C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1631874092 NHEAUIAODMDACW-NEPJUHHUSA-N 433.324 2.142 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC 1636710063 MTKHVJGLVJJNMU-RHSMWYFYSA-N 427.339 2.196 30 10 IEEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)O2)CO1 1638514449 VRLAZVRPCJPWNH-JTUHZDRVSA-N 438.532 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2c[nH]c3cccc(C#N)c23)C1 1644408572 FWPLPIXUJYLNSS-HNNXBMFYSA-N 446.529 2.194 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1644638468 RWWXDGXBIIOFPX-NHCUHLMSSA-N 428.577 2.226 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C1CSC1 1645212638 VHISKKJYWLOERF-UHFFFAOYSA-N 432.523 2.392 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3cc(Br)ccc3C2)c1 1646572288 XVOAKHCMOPZHBW-UHFFFAOYSA-N 449.326 2.395 30 10 IEEE C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCN(c2ccsc2C#N)CC1 1647745365 BEINEYJOLFKSDM-IAGOWNOFSA-N 426.542 2.429 30 10 IEEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1653545177 XGIPUUHQYCKWBK-FOYATCPTSA-N 436.599 2.387 30 10 IEEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1667879670 IHKSBQPLQYBDLK-MRXNPFEDSA-N 438.550 2.325 30 10 IEEE C#CCN(C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)[C@@H]1CCCc2ccccc21 1669122425 LPQMJUAGQKBUAQ-TZIWHRDSSA-N 433.574 2.197 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1673607071 HZIXMKHSJGPIEB-MRXNPFEDSA-N 439.468 2.180 30 10 IEEE C=CCC1(O)CCN(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 1676416313 SQOMXEYKUZEBHF-UHFFFAOYSA-N 446.552 2.469 30 10 IEEE C=CCCOCCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1681189779 NQUSQWAVJQLLJL-MRXNPFEDSA-N 425.526 2.211 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1682157411 ZAZCWZKUXZTZGK-HZMVEIRTSA-N 433.471 2.225 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CCc2cnccn2)CC1)c1ccc(Br)cc1 1682356611 JXUVTTGJGHFEKZ-IBGZPJMESA-N 428.334 2.483 30 10 IEEE N#C[C@]12CN(C(=O)NCC(F)(F)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1684057324 CUFOBMVRDQJTJK-SWLSCSKDSA-N 448.289 2.121 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1684360232 DBJGDUIXJZBVFH-DHIUTWEWSA-N 447.587 2.355 30 10 IEEE C#CCN(C(=O)NCCN1C[C@@H]2CCCCN2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1687146688 XBJJLWBYPAJFEL-IBGZPJMESA-N 447.580 2.321 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689994352 WPOVQBKPZFEDKB-QGZVFWFLSA-N 447.611 2.370 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1690012147 RWXNPEJTJJRCPC-QHCPKHFHSA-N 443.555 2.133 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1690236565 OLYVKMGXPHNQTN-MJGOQNOKSA-N 429.569 2.384 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1690512501 ZHYXEJJNCNLNLW-UHFFFAOYSA-N 426.565 2.296 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1690673231 RMKYOUDBLKVKHY-QGZVFWFLSA-N 442.520 2.345 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1690732068 VCDFVHIYWCHUOG-PXNSSMCTSA-N 426.583 2.157 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C)C1 1690740286 PJWQRKKHTAGVNU-HNNXBMFYSA-N 436.607 2.383 30 10 IEEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1694107883 GCTJCVFNRHIQAM-GOSISDBHSA-N 434.552 2.457 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1697151304 ASIWNIGNTZPBDZ-AEFFLSMTSA-N 447.561 2.138 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1697151307 ASIWNIGNTZPBDZ-WMZOPIPTSA-N 447.561 2.138 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1(C)C 1697694995 MVPLZQWMNZHYAW-RBUKOAKNSA-N 427.505 2.005 30 10 IEEE COCc1nocc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1697836701 KEMPULFNNXLUME-IBGZPJMESA-N 438.488 2.385 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1697926819 TXCIFZCMKOEXRO-VAWZGJIGSA-N 425.533 2.323 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCSCCCO)c1 1698484040 DMQNNDPWEQDKNJ-QGZVFWFLSA-N 428.562 2.024 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)nc1OC 1705497869 JHRPRXBYDYSFOZ-MRXNPFEDSA-N 431.500 2.435 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1705530004 MPHGMLLOPXXDCU-IBGZPJMESA-N 436.516 2.478 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C(C)C)N1CCOCC1 1705548561 LQPJOKKWXHKWOP-IBGZPJMESA-N 425.533 2.143 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1705629138 YEGMHSIUDAYBLL-DLBZAZTESA-N 426.517 2.248 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2OC)CC1 1705658243 JQUFKVVWXIINOJ-UHFFFAOYSA-N 435.557 2.437 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@H]1C 1705687393 CUTJQGPZXSWETD-JHJVBQTASA-N 435.413 2.419 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1705702152 KUKSKNJNNUZTIS-FXAWDEMLSA-N 434.537 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nccnc2C)CC1 1705708766 GXUWXGBBCNCAPH-QUCCMNQESA-N 427.553 2.221 30 10 IEEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N2CCOCC2)CC1 1705784081 GPNRBJPPWYXGGM-UHFFFAOYSA-N 425.533 2.161 30 10 IEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705820567 RDULAPLPPQXVGH-UHFFFAOYSA-N 438.532 2.364 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCO[C@@H](C)C1 1705895227 YMRQOGMIMOOEEP-KRWDZBQOSA-N 426.521 2.065 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cscn1 1705904248 JWWGSYCMYVGBJB-QGZVFWFLSA-N 426.502 2.186 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCSC1 1705937326 QJALPCDRBXIBJV-OAHLLOKOSA-N 427.621 2.176 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706421671 XQEAKQBBXGNFTI-GHVJWSGMSA-N 449.559 2.330 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@H](C(F)(F)F)O1 1708234380 MJSCQKYSJWDKLL-CZUORRHYSA-N 437.422 2.410 30 10 IEEE CC[C@@H](Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1)OC 1708773277 HBXRKBRALHNHIJ-MGPUTAFESA-N 449.556 2.414 30 10 IEEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1710817823 VZXWCYRBKRHGTH-LJQANCHMSA-N 446.577 2.104 30 10 IEEE COC[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712131427 BLWYAZJHCIXKGB-HNNXBMFYSA-N 438.536 2.369 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1722306123 OGIMIEDYTNEKMX-FSNCLGKMSA-N 433.553 2.312 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1C(F)(F)F 1722346452 XVZNUTBKQBNFAS-NSHDSACASA-N 433.431 2.164 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722357992 BVKKDEGFBSFGPH-OALUTQOASA-N 435.638 2.467 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC#C)CC#CC 1722457741 MLCGHYCOZXHIQE-UHFFFAOYSA-N 440.598 2.068 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1722468532 NBXNAQDDVBDYHW-PKTZIBPZSA-N 431.581 2.033 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1)C1CC1 1722643849 CZZISOZAYOPSTD-UHFFFAOYSA-N 448.531 2.455 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)CC1)C(C)C 1722664520 BOTNZQHIWFAFDA-VQTJNVASSA-N 430.597 2.197 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722701228 JWIJTYPUJQWMFV-UHFFFAOYSA-N 443.596 2.039 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(C)ccc21 1722725466 OZQRNLBLCIKTRB-UHFFFAOYSA-N 429.546 2.118 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740594216 FLIZTNJRWAMSJN-UHFFFAOYSA-N 427.578 2.214 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740621370 WGISJKRUCHQQKK-AWEZNQCLSA-N 440.928 2.135 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1740661019 MYHJXABVVNLUND-UHFFFAOYSA-N 433.520 2.052 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC[C@@H](F)C2)n1 1740688379 FPLZFPBITMSXFA-GUDVDZBRSA-N 430.528 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1740691645 LDMSHWIWSXGWHA-LJQANCHMSA-N 447.992 2.321 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2CCCO2)CC1 1740992013 KZEPJKDFUZYRDV-RBUKOAKNSA-N 438.594 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCOC2)C1 1740992642 KIUDMPWNLVCEFX-QFIPXVFZSA-N 446.573 2.095 30 10 IEEE CC(C)=CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1741267119 CNYHWNISVQRJQJ-UHFFFAOYSA-N 444.561 2.167 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1741713806 MMLCDPCTPIMDJT-WMZHIEFXSA-N 447.628 2.083 30 10 IEEE CC[C@@H](C)c1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743797417 FGDDTDCAUANDBZ-IGGDJGDASA-N 428.537 2.467 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1sccc1C 1747186757 CAQZXXAFXSMOAN-UHFFFAOYSA-N 440.577 2.473 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1748670815 CIXANUZXPFPAIR-KBPBESRZSA-N 425.605 2.277 30 10 IEEE C#CCCCCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1748700099 XCIJHFSROHRQGC-UHFFFAOYSA-N 438.580 2.158 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1748760707 CWISIVGZQMUDGM-LJQANCHMSA-N 431.562 2.097 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)c1ccccc1 1748794146 WGAGFZJQOYGZLX-UHFFFAOYSA-N 434.525 2.060 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748808895 IKUGJZNWEPHTGG-PMACEKPBSA-N 441.601 2.365 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1748819669 RFXVKHFIXKCAEY-SFHVURJKSA-N 441.582 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccco1)N(C)C 1748917343 VQQKVFVUGYIEKY-IBGZPJMESA-N 431.504 2.276 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1749143852 NDCIAPGDFMFIBB-IERDGZPVSA-N 433.578 2.125 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1749311633 VASSQYZBBRNROE-UHFFFAOYSA-N 437.541 2.480 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)OC 1749327047 HLHMJXKRILNDGC-MONBJTKQSA-N 441.532 2.252 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1749572933 HQNWPIANZPGLQW-HKBQPEDESA-N 438.557 2.282 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Br)cc1 1749650290 QSUCCIFYEIFNSG-UHFFFAOYSA-N 449.353 2.117 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1750379828 XNUBQVZSUWKKSQ-UTKZUKDTSA-N 449.481 2.062 30 10 IEEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)n1 1751860662 HRIRCYFKRCAUGJ-FQEVSTJZSA-N 435.532 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)nn1C 1760101089 IUFCODBAGNUZOR-HNNXBMFYSA-N 440.577 2.095 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760154488 VFVWBXMQMUUTMI-UHFFFAOYSA-N 429.590 2.356 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ncccn2)CC1 1760158195 GBTJLAZEKTYGLD-UHFFFAOYSA-N 433.516 2.396 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760188941 RNXRRDUVRTYFPA-ICSRJNTNSA-N 446.548 2.181 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760249877 BILSMAYZQXAQBH-BGYRXZFFSA-N 440.592 2.238 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1760260353 PNGSIWOIFGHMFS-AZUAARDMSA-N 425.581 2.275 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)OC)CC1 1760263901 UDTBVJWRJCLWJO-MSOLQXFVSA-N 432.569 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1760270300 OFPBWPMTODRMTA-LJQANCHMSA-N 444.530 2.387 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760287074 FLXDLJCULZPQBP-OAHLLOKOSA-N 447.590 2.203 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760296016 XSTYOCLUOFWXMZ-FRQCXROJSA-N 427.471 2.037 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1760335014 QSMFDCYULUKZKX-SFHVURJKSA-N 426.521 2.157 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N2CCOCC2)CC1 1760384330 SUTQPEAJEKOACZ-UHFFFAOYSA-N 435.326 2.051 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760428567 YVYGUSVVCRYCGP-AWEZNQCLSA-N 436.500 2.430 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1)C1CC1 1760474003 KQQDMPXGVGIJFQ-VFNWGFHPSA-N 434.537 2.382 30 10 IEEE CC(=O)N1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1760588863 XFOYUTMZKCZQQK-QGZVFWFLSA-N 444.486 2.134 30 10 IEEE CCCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765899316 DXAOWIQJHAZDIB-UHFFFAOYSA-N 433.520 2.145 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1766715859 XAAOGLQAZHKXHH-VQIMIIECSA-N 446.577 2.007 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCCS(=O)(=O)C1 1767087717 FYZDWPBYUJDVCD-GOSISDBHSA-N 437.529 2.068 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1767767804 BPLYNUBAEWGYNS-CVDCTZTESA-N 438.532 2.117 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1768802572 PYQVHWHXZRMMOP-CTNGQTDRSA-N 441.532 2.397 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1769959572 HZBKDJYPWCYRQN-MRXNPFEDSA-N 436.520 2.096 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCCS(C)(=O)=O 1770443972 FYSHIXAMRGRCAQ-UHFFFAOYSA-N 431.562 2.442 30 10 IEEE COCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1771234200 KOZCPUHLRYOWHE-OAQYLSRUSA-N 425.468 2.194 30 10 IEEE Cn1cc(N2C[C@H](C(=O)OC[C@@H](C#N)Cc3ccc(Br)cc3)CC2=O)cn1 1848485259 OJJPQZBZNSKJSV-HUUCEWRRSA-N 431.290 2.461 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)CC1 1850662441 IJHZONIRGDLCEL-GOSISDBHSA-N 426.492 2.179 30 10 IEEE NC(=NOCCC(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccc(F)cc1 1853415967 UHBXSGJYDXSPBL-UHFFFAOYSA-N 440.401 2.010 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(Cl)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636608 XGINAICAPRZTAY-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(C)CC(=O)OCC 1868782368 HWFSSUQOLVIXSF-ROUUACIJSA-N 448.589 2.331 30 10 IEEE COCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc2c(c1)OCCO2 1874474277 VVTKJQWBGCJETO-SRZZPIQSSA-N 434.518 2.412 30 10 IEEE Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889421820 WDCKGVLSKYTDPK-QFIPXVFZSA-N 427.589 2.329 30 10 IEEE COc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1OC 1890261991 WWHWEHYZHNTSEO-UHFFFAOYSA-N 443.588 2.354 30 10 IEEE CC(=O)Nc1ccc(Br)c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)c1 1890500147 WFJUZZVKHLHRPI-UHFFFAOYSA-N 429.278 2.030 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)nc12 1891916529 HHDUKXGIMUJFCN-AWEZNQCLSA-N 438.513 2.473 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)O 1914795533 VPNWZCFTCOOIPS-COPCDDAFSA-N 436.512 2.464 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1984912510 GJSKYWHKYXPTFK-PMPSAXMXSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2010402042 LLVFGYWBICBSIL-JXQTWKCFSA-N 428.310 2.047 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132676003 MAHQRSLKECRVMN-UHFFFAOYSA-N 447.345 2.244 30 10 IEEE Cc1cc(C#CCO)ccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2145939529 QVHZWZHOUZKGFB-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE C=CCn1ncc(N[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2190268225 FPSKMEFBHPZXRE-GOSISDBHSA-N 443.342 2.366 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)C1 2247543800 CUGHSYAZDCWZRC-KKWNJKKUSA-N 439.553 2.027 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1 2247817998 SJTFGKDCRXMHEJ-UHFFFAOYSA-N 437.371 2.442 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247840214 JGMHWQFIKDPIRH-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247908356 SHSSKFBWZUOPBT-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247951270 HKGOJSHEAHOBRU-UHFFFAOYSA-N 431.367 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2249054367 IMXAOHRCIMOUPK-PMACEKPBSA-N 428.533 2.249 30 10 IEEE CO[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1NC(=O)OC(C)(C)C 2254798748 CYAFBZOBKHPIPA-LSDHHAIUSA-N 437.321 2.248 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CO 2255378812 DQNBFDIXBNIHJN-JKSUJKDBSA-N 433.358 2.093 30 10 IEEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255597471 QKFNCXDRFKHVCD-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255639317 FAXSGQXNVGTNMF-LLVKDONJSA-N 447.288 2.116 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C 2255831672 ZLYVCTDNWAVXFF-CQSZACIVSA-N 436.362 2.187 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266999172 WJWXIQBAUOZDNC-LSDHHAIUSA-N 449.332 2.458 30 10 IEEE CC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1Cc1ccccc1 2267130909 UUKJYDWBFUFAGE-IBGZPJMESA-N 438.381 2.456 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267146027 KHQHHZDHLDOFHV-GOEBONIOSA-N 448.373 2.426 30 10 IEEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267179648 SSSGGCDQMMMWHP-GJZGRUSLSA-N 448.373 2.330 30 10 IEEE Cn1cc(C(=O)NCC[C@]2(C)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267521781 UTBJUJFONOBVEK-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC[C@]1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267601609 YJXBOVXPVGGICM-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267877378 UUWJUKLXUJTKGG-UHFFFAOYSA-N 444.341 2.001 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268639264 MYZAKFPFKVSUBP-KBXCAEBGSA-N 446.353 2.102 30 10 IEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3cccc(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1 2296586553 HITKLSXATNTMCT-HXUWFJFHSA-N 438.480 2.465 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H](CCO)COCc3ccccc3)ns2)OC1(C)C 2303598760 IKKGOLOLMTYXIG-INIZCTEOSA-N 432.351 2.140 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)C#Cc1ccc(Br)cc1 2313880736 FVCVBPNZTVJYOW-AWEZNQCLSA-N 430.320 2.308 30 10 IEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccn1C 2329056648 VWLWCAUNFXAORD-HNNXBMFYSA-N 432.550 2.268 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1nc(Br)nn1CCOC 2353674669 GRDBBSRCOFEINN-STQMWFEESA-N 430.347 2.254 30 10 IEEE Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1 12470241 HZGNJFVUZQYUIV-LWONHAKGSA-N 425.535 2.047 30 10 IEEE Cc1cc(F)ccc1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445981051 OBEDDOBFFWYCMS-UHFFFAOYSA-N 430.505 2.264 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)CC2)n1 467057676 JHKVUAYUROAUTI-MRXNPFEDSA-N 446.504 2.019 30 10 IEEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@]1(C#N)CCOC1 471926476 DKAQNASVWJRSRN-MRXNPFEDSA-N 433.324 2.168 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2nc(C3CCCC3)no2)CC1 474367613 FPSZIEIAZKJTJD-UHFFFAOYSA-N 443.529 2.065 30 10 IEEE Cc1nnc(-c2ccccc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 479832236 SYFJSMKNLBXERW-UHFFFAOYSA-N 437.481 2.063 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2cccc(OCCN(C)C3CCOCC3)c2)cc1C#N 489253668 OARPQIUWBSLGML-UHFFFAOYSA-N 444.557 2.230 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N1CCC(C)(C#N)CC1 503798477 YERRTIUIKXIBNJ-UHFFFAOYSA-N 425.576 2.484 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2)cc1 512409630 DDDVKMWOSXDFMM-JOCHJYFZSA-N 447.539 2.065 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)CC2)cc1 525578900 NWJARFKIJQONSL-HKUYNNGSSA-N 431.464 2.473 30 10 IEEE COc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)no2)cc1 532665735 JVBAGXVZRWILGG-UHFFFAOYSA-N 439.497 2.123 30 10 IEEE C[C@]1(C2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)NC(=O)NC1=O 541107617 ZTIQVILBGPJDIO-HXUWFJFHSA-N 441.879 2.239 30 10 IEEE N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)CC2)n1 546204084 JHMJXLSWHUJKAN-QGZVFWFLSA-N 429.402 2.426 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 555256253 HCHKEWUNGAMKBD-KRWDZBQOSA-N 444.483 2.318 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=C)C)CC1 555273190 SQHUVHBHRBRWMZ-UHFFFAOYSA-N 433.560 2.281 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 581972097 WAOXWRJBZSXZHI-GUYCJALGSA-N 441.504 2.273 30 10 IEEE N#C[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 619753571 FVNKWOWXDHTLAX-SFHVURJKSA-N 446.916 2.242 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccco2)c1=O 654865331 UEZABXOPXICSTP-UHFFFAOYSA-N 438.505 2.324 30 10 IEEE COC(=O)CN(Cc1ccc(F)c(F)c1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 731024745 HNFVSFVNVRNAKV-UHFFFAOYSA-N 442.422 2.233 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CCN1C1CC1 734694310 URWKDXVGYHFKIP-QJWGWKRISA-N 436.537 2.132 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](C)C(C)C)cn1 739401859 MJQVNJSHVDTRTB-WBVHZDCISA-N 435.594 2.382 30 10 IEEE COc1ccc(CNC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)cc1C#N 746886270 JIPILBBPHNPCGT-UHFFFAOYSA-N 436.497 2.356 30 10 IEEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)s1 752194215 MDAOMAJJGHFFQT-UHFFFAOYSA-N 436.562 2.008 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 757711847 URRKVBPIDNKRQG-QGZVFWFLSA-N 428.555 2.486 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2Cl)C1 760303109 ZBZMISYVOSJBEF-DOMZBBRYSA-N 437.953 2.211 30 10 IEEE Cc1csc([C@@](O)(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C(F)(F)F)n1 761037105 NHSNVKLXYDMWSB-KRWDZBQOSA-N 425.436 2.207 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cccnn2)C1=O 766418937 IELIZHDOTFPUNP-QGZVFWFLSA-N 446.964 2.330 30 10 IEEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772899766 XSLDGYHVPOMLAG-UHFFFAOYSA-N 432.615 2.250 30 10 IEEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)[C@H]1CCS(=O)(=O)C1 774177438 INSYOTOTLZWFPZ-FQEVSTJZSA-N 443.500 2.410 30 10 IEEE CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 774766542 SPZMSZPODBXELV-AWEZNQCLSA-N 441.351 2.077 30 10 IEEE CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784971427 CEIAZBAMKHUAPD-IHIJCHFRSA-N 432.546 2.253 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)n1 789066865 TXCRQZVSHNZRRR-LJQANCHMSA-N 429.908 2.133 30 10 IEEE COc1ccc(Cn2c(=C(C#N)C#N)sc(=Cc3ccnn3-c3ccccc3)c2=O)cc1 790357006 UHLRVMNCVBMXQT-UHFFFAOYSA-N 439.500 2.179 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CC(N3CCCCC3)C2)C1=O 794451571 ZIWNYXVIUPWXKJ-RJYAGPCLSA-N 444.557 2.500 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 796915724 HAOIENRBFCBYHI-HKUYNNGSSA-N 432.521 2.438 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC 802430146 KQHLMXLZHBEWCI-SFHVURJKSA-N 426.521 2.079 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F)c1ccc(Cl)cc1 810469745 FMPXECNIVKJOIC-INIZCTEOSA-N 437.880 2.159 30 10 IEEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2ccc(OCc3ccccc3C#N)cc2)nn1 811181141 VIKYVFHIWFPXEL-NHCUHLMSSA-N 448.435 2.312 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)c3cscc3C#N)CC2)cc1 814614632 AJRQPQVJPQWRRU-HNNXBMFYSA-N 447.538 2.007 30 10 IEEE CCN(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)C2)ccn1 856543548 VPNFWBCFELJNSW-LJQANCHMSA-N 430.530 2.256 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 1083994800 DPPPVCRNXAUIIT-SFHVURJKSA-N 437.529 2.429 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCC1 1137755814 AOTVPCVWQWZDNI-UHFFFAOYSA-N 425.482 2.300 30 10 IEEE C#CC[C@@H](NC(=O)[C@H](CCC)NC(=O)NCc1ccc(Br)cc1)C(=O)OC 1141995052 GYRKJJSCBSLSPL-JKSUJKDBSA-N 438.322 2.098 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 1144267610 GELIXJDYTRODIH-INIZCTEOSA-N 431.961 2.414 30 10 IEEE CN(c1ccccc1)[C@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1149120695 XPXSCLRQSHFKBT-SFHVURJKSA-N 426.542 2.243 30 10 IEEE COC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCSCC1 1155100681 QBTHYSKSEBXEBG-RDYUPDBUSA-N 437.562 2.328 30 10 IEEE O=C(Nc1ccccc1C(=O)NCC#CCO)c1ccccc1I 1155732867 FNKHAZLGUMAVEH-UHFFFAOYSA-N 434.233 2.269 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1159759212 JCADAKYKSQEWRU-ROUUACIJSA-N 432.542 2.421 30 10 IEEE N#Cc1ccc2c(c1)CCN2C(=O)CNC(=O)c1ccccc1I 1161511565 GVQQBCZEGXDYOQ-UHFFFAOYSA-N 431.233 2.482 30 10 IEEE C=CCC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1178198824 SBSARUXHWRFKQZ-INIZCTEOSA-N 430.567 2.155 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(OCC(N)=O)c(OC)c1)c1ccc(Br)cc1 1222616393 ARZVSICFVOEHBQ-MRXNPFEDSA-N 446.301 2.496 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1286381537 NBYBOKLKEQCIAC-IBGZPJMESA-N 441.557 2.184 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(C)(C)C)cs1 1286408835 FQXDAWDNDKMCOX-INIZCTEOSA-N 445.614 2.250 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286484344 MIUGXQSOQWWUSY-WOJBJXKFSA-N 439.560 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1286488101 SYLCRPZIKQXITM-OAQYLSRUSA-N 430.512 2.475 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1286700755 QLFAYPZMKMNWBC-DLBZAZTESA-N 443.639 2.299 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286788836 HOLVTKDZGBRAOL-LJQANCHMSA-N 436.491 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286816057 HVEJASLYDRWDAQ-GDBMZVCRSA-N 439.969 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2ccc(O)cc2C1 1286818444 IOLACFHHHYSNHS-UHFFFAOYSA-N 427.530 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC1 1287052625 BMKGVIKYRBTOSR-MSOLQXFVSA-N 445.568 2.175 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1287423001 DEYQDJRNRPIMKY-CHWSQXEVSA-N 449.392 2.208 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nccn2C(F)F)CCOC1 1288304914 IQKOGHJSBZVGRP-RBUKOAKNSA-N 439.442 2.401 30 10 IEEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1(C)C 1296930716 GUCXYCXDIIOARL-ROUUACIJSA-N 446.577 2.006 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)OC)cc1OC 1299023915 AKQGIKYXZIGDBI-PRLJZHDASA-N 448.541 2.243 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(OC)c(OC)c1 1300544897 HONOWHJEAKWOBS-UHFFFAOYSA-N 432.528 2.472 30 10 IEEE C=C(Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301010025 GYXAKXVVXFZLMZ-QHCPKHFHSA-N 425.533 2.345 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCN(C)CC2)CC1 1301085901 QOIZZCBKNHLIQX-QGZVFWFLSA-N 439.651 2.164 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1301217934 IICNSGXONVAEOH-UHFFFAOYSA-N 435.532 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301492174 ZMPYJMGKAWNHOE-UHFFFAOYSA-N 437.573 2.334 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1CC[C@H](C(F)F)N1CCOCC1 1301968654 OEOIIQOHNHGURT-ZACQAIPSSA-N 426.512 2.472 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CCCOC(F)F)cc1 1302988851 BKRKRZBEKLEMNV-KRWDZBQOSA-N 445.474 2.486 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1304083270 HJLSFZXOOYHVTL-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE CCc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1305919146 UUMCSHCDZFAGLV-BKBKCADHSA-N 436.516 2.259 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCNC(=O)C(C)C 1306194581 WEVHNPOUNRCDMA-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE CN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1314642051 BDARFRYAVWDUQC-UHFFFAOYSA-N 440.552 2.019 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C1CC1 1358949742 LOVKQLLNIAPYNN-SJLPKXTDSA-N 432.569 2.139 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359174714 MVWRYMPVZOZBCP-GHTZIAJQSA-N 438.594 2.156 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1359230692 BUHWHJLPHZHPJC-NSHDSACASA-N 433.456 2.299 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1437057612 FDYJVDZODLSATE-QGZVFWFLSA-N 434.558 2.366 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)s1 1451375760 XNTIPNIDPCMAII-NRFANRHFSA-N 446.550 2.391 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(COCCO)cc1 1451931469 ZJQSZTIEWSIABX-LJQANCHMSA-N 445.541 2.432 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1460238152 GSJZNRPIOCQHNX-UXHICEINSA-N 447.580 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1467707522 PIIQVMZJHXMDDP-UAKAABGRSA-N 438.528 2.469 30 10 IEEE N#Cc1ccc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1Br 1472739803 LTWVEOWMQILQQO-ZDUSSCGKSA-N 432.315 2.091 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OC 1475688464 KZGZYTUKTWTYRX-GFCCVEGCSA-N 434.308 2.412 30 10 IEEE Cc1nc(Cc2nnc(N(C)CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1492667432 FQPSLOOMJRKWFP-HNENSFHCSA-N 427.534 2.006 30 10 IEEE COC[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504572440 HMMXHTJJKXBRNG-ZIFCJYIRSA-N 440.552 2.179 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2(=O)=O)CCO1 1505321992 GQSJKGAGCJXVEH-LSDHHAIUSA-N 435.937 2.295 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1507620797 VQFFYOAXHLLXNL-KRWDZBQOSA-N 425.430 2.341 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)(C)C 1507680755 MNAYQPWIUHOUEL-UHFFFAOYSA-N 431.562 2.113 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc2c1OCCCO2 1507711083 NKSPDXPPBUPHKM-IBGZPJMESA-N 426.517 2.468 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507752971 HCDUVHKHGBEIOW-MOPGFXCFSA-N 432.638 2.024 30 10 IEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507838004 YXBBPGOKBDSSEP-KRWDZBQOSA-N 427.553 2.205 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1507915440 VGUAXVVOOZQWDF-HOTGVXAUSA-N 435.598 2.218 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccoc2CC(C)(C)C1 1508071310 IGFLIOMTFMNMTB-UHFFFAOYSA-N 449.515 2.410 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1Cc2ccccc2O[C@@H](C)C1 1508072653 HLCVAMAVAIUPLM-DLBZAZTESA-N 429.521 2.092 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 1508104725 NIWADMZTIWFLFL-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508837445 BBIWPQCUJMBUGE-WIYYLYMNSA-N 431.562 2.237 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@@H]1C 1509214883 DCBNNWBCJUXLAR-OALUTQOASA-N 437.596 2.338 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1509822874 ISIBTARPKFPFNZ-JTHBVZDNSA-N 447.580 2.380 30 10 IEEE Cc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1511023557 VREYLEYHUDYDQF-LAUBAEHRSA-N 447.536 2.400 30 10 IEEE CCOCCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1516734510 PZMVLZPTOCIYII-QGZVFWFLSA-N 448.531 2.367 30 10 IEEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1516931744 TUUDUZGEQGWVOV-UHFFFAOYSA-N 441.605 2.170 30 10 IEEE CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1518575481 GCZPYXOFTJTLEI-MJGOQNOKSA-N 429.546 2.113 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1519425132 PETVVXMCBWPFED-UFYCRDLUSA-N 444.580 2.391 30 10 IEEE C#CC[C@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)C1 1533635966 YRRAWIJABZZNPS-KRWDZBQOSA-N 430.574 2.408 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)n(C)c1 1538555943 MLQIFTLKKKONNM-FQEVSTJZSA-N 430.530 2.141 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539211292 GWZQMKYIGSMFGB-HNNXBMFYSA-N 431.543 2.286 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1539213011 ZOWOXGQRVSMOBA-SFHVURJKSA-N 447.580 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N1CCOCC1 1539312421 PSKGNRDFJAXYON-HXUWFJFHSA-N 449.584 2.277 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1539327620 BYEIJQDLOCKQDM-KRWDZBQOSA-N 446.523 2.435 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCCCS(C)(=O)=O)CC1 1539440999 HLRZAPUDSSJMMD-UHFFFAOYSA-N 433.553 2.054 30 10 IEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539505827 DYFKMAVSSHQMKG-QGZVFWFLSA-N 441.582 2.483 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCC2)C1 1539751427 NBHXLDJJEGJKNC-GOSISDBHSA-N 438.594 2.312 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1539855881 LFTXGOPAGSYAFK-UHFFFAOYSA-N 427.530 2.462 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539985002 CNMFZDFECLUTCX-WMZOPIPTSA-N 429.546 2.030 30 10 IEEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540077812 SDDKPCOXBDKXOJ-CQSZACIVSA-N 425.505 2.051 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@](C)(CC)C1 1540871570 OOKZCEFZOXEAMS-AVRDEDQJSA-N 427.505 2.098 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1554128178 VYUFHWFQLMTAMC-UHFFFAOYSA-N 437.548 2.213 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554235339 MHMLDICYXOFPMZ-ZREAOVPFSA-N 442.564 2.400 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)n[nH]2)c1C 1556764313 HMSDWOSNZYUQPB-UHFFFAOYSA-N 433.516 2.260 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COC[C@@H]2O)c1 1557856331 DOGTZTQQSBVABU-MOPGFXCFSA-N 436.917 2.211 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)OCC 1557935384 YVXHUTZTBHXGFE-INIZCTEOSA-N 430.954 2.389 30 10 IEEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1558421917 NJINHBLEWYBRTD-SFHVURJKSA-N 437.518 2.068 30 10 IEEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1559947565 WMXXWJTVWBTYLJ-LJQANCHMSA-N 425.554 2.018 30 10 IEEE N#Cc1cc(S(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)ccc1Br 1561265355 ABWSMPACNWKFBO-HNNXBMFYSA-N 428.352 2.242 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1561806101 GLTQOZZUWXWGPP-UHFFFAOYSA-N 441.387 2.265 30 10 IEEE COc1cc(CNC(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)ccc1C#N 1564714329 RZLGFTYHDNARHS-UHFFFAOYSA-N 429.521 2.013 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cnc4ccccc4c3)CC2)cc1 1565318522 YBDBUXKGVCJJBX-UHFFFAOYSA-N 449.536 2.365 30 10 IEEE Cc1c(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc(Br)c1C#N 1584360427 IGRZTPPJHBUWOD-JHNDHUHGSA-N 432.274 2.120 30 10 IEEE CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ncc(I)cn1 1585265385 BZEHPNZJPKMVLF-HNNXBMFYSA-N 430.246 2.306 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1586879678 HKJLFBJXMWXAMA-AWEZNQCLSA-N 436.228 2.079 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@H]1C(=C)C 1587969914 KJDDWWDKQUTUEK-AEFFLSMTSA-N 428.562 2.289 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1593757575 IUFRPHDVBIRJAT-XMMPIXPASA-N 439.560 2.381 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1593770321 YUFSGQSKONVCOC-SFHVURJKSA-N 444.511 2.145 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1)c1ccccc1 1593788839 DHOSOEJJUJZCJY-LJQANCHMSA-N 443.573 2.346 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 1593800739 VSNATVDVSXSEGB-CUWPLCDZSA-N 425.533 2.382 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1593908542 MADBVRGIVYYLSH-UHFFFAOYSA-N 429.834 2.389 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1594798007 LRPCBSNUSWRBFA-LPHOPBHVSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595543945 CEUVPWWLGWUJFP-IAGOWNOFSA-N 448.568 2.315 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC=C)CC=C 1595551424 QMZINDHIVWIBAW-QGZVFWFLSA-N 446.552 2.067 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C(=O)NC)C1 1595648285 ATSXPYIMKCNLLI-FQEVSTJZSA-N 437.500 2.411 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 1595790489 MUQFOVFNVFRHBS-FQEVSTJZSA-N 429.517 2.383 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595866496 MXDPUABGUIAMMB-CYBMUJFWSA-N 443.499 2.103 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1596821386 COLBQLBELSTSBJ-BZUAXINKSA-N 430.475 2.379 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1597687600 QGDVAQCKRLEUGC-GOSISDBHSA-N 438.532 2.355 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1598128986 DOYWXNMZQFRQSA-UHFFFAOYSA-N 446.559 2.254 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(Br)c(C#N)n1)C2=O 1610905439 BTOXTBAGNHKPBG-GHMZBOCLSA-N 434.294 2.401 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3cccc(C(N)=O)c3)C2)C1 1611011209 HUEHAHHEVORMRU-OTQYULQBSA-N 426.517 2.231 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 1611130317 AHWJXBUXWSRSPM-AWEZNQCLSA-N 435.949 2.368 30 10 IEEE N#Cc1cc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)ncc1Br 1612167651 KNRABFJSZCXFPA-UHFFFAOYSA-N 425.294 2.014 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2nnc(C)s2)CCOC1 1616201285 BOCFTSHYQNDTNF-HXUWFJFHSA-N 431.566 2.463 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1617203129 APHBWBZHSLRRDB-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE CCOc1ccc(-c2nc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)cc1 1618171686 HWWZYMMWJNBDQB-MGPUTAFESA-N 431.539 2.148 30 10 IEEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1619675934 FYRRZIMLFLFTIQ-OAQYLSRUSA-N 436.476 2.238 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c(C#N)cn1CC 1625717729 APQONVPBPHMJBP-MRXNPFEDSA-N 430.509 2.358 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1625997184 SDJKMBYAFSQNOH-QHCPKHFHSA-N 430.549 2.210 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)cc1 1629408473 WZTKQUBNPDYJNH-HXUWFJFHSA-N 442.928 2.467 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1)[C@H]1CCCO1 1634470292 QJBXZDARZITGKX-UWHLTILDSA-N 446.592 2.425 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1636004355 XBRGHDVPONRJNO-UHFFFAOYSA-N 433.468 2.035 30 10 IEEE O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)N[C@@H]1CCN(O)C1=O 1636352084 CLVYDAHGCWAVRF-MRXNPFEDSA-N 445.451 2.411 30 10 IEEE CC(C)(C)n1ncc(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1I 1641320595 CILYTOACXGOWNN-LBPRGKRZSA-N 429.306 2.208 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccc2NC1=O 1652916249 IZJYCQJJNJKAFK-VGSWGCGISA-N 428.489 2.219 30 10 IEEE CSc1ncc(I)c(N2CCN(c3ccc(C#N)cn3)CC2)n1 1655016594 WCUAWMLCZXYECF-UHFFFAOYSA-N 438.298 2.396 30 10 IEEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(C#N)cc2)CC1 1659828332 BXSPPWFLIHIAAY-MRXNPFEDSA-N 435.484 2.188 30 10 IEEE C=C1CCC(CNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1671401437 VIJQDHROGLXLIL-UHFFFAOYSA-N 428.576 2.041 30 10 IEEE C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1680730541 IFAPSDQEOVHKJC-BNLOLNQZSA-N 444.326 2.099 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C(C)C 1689831891 SXWBGQWMWFDPJK-QVKFZJNVSA-N 432.594 2.412 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCn1nc(C)cc1C 1690025024 ARFQMZIZILVIFB-UHFFFAOYSA-N 435.557 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@H]1CCCC[C@@H]1C 1690047430 QTCXEJGFGKNXRD-ZCNNSNEGSA-N 432.590 2.238 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@H](OC)C(F)(F)F 1690101322 WWGLMNVTRHZQFR-HNNXBMFYSA-N 443.426 2.059 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](C)N(C)C)CC1 1690150751 TVQJBEHOEPQSBU-SFHVURJKSA-N 447.587 2.266 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690228498 YKLPYDUZSQSQPE-KGLIPLIRSA-N 433.372 2.094 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](N2CCCC2=O)C1 1690238195 GKSCKJZBJDKCIN-JTJHWIPRSA-N 447.580 2.184 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CC1 1690411419 LXHMGIKGINBPNG-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@H](C)C1 1690677539 ZMOKRDSGLUHFAU-CALCHBBNSA-N 429.521 2.172 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1691011294 VRHOEBFBQLSRLT-NCOADZHNSA-N 434.541 2.060 30 10 IEEE C[C@H]1CCCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)C1 1693681017 IPTJYRFXZKZBGV-AVRDEDQJSA-N 431.560 2.468 30 10 IEEE CCN1CCN(CCCn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1695898932 GVNKMISHMPNMEI-UHFFFAOYSA-N 445.575 2.271 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1697048977 QIVNTUHCVXKDRX-FQEVSTJZSA-N 439.516 2.402 30 10 IEEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCN/C(O)=C1/N=CC=CC1=O 1697547474 SHIFEDVUUMQWFE-AYAKEVCGSA-N 435.488 2.076 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705535065 ZPOIZQWOGIARJU-LPHOPBHVSA-N 430.530 2.217 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705571019 UOCBZBXTMAHJQL-IBGZPJMESA-N 430.574 2.469 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCC2)c1 1705596759 MXVIXCATNVJNQI-NRFANRHFSA-N 444.539 2.479 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cnnn1 1705609796 QXCXZBNMBNPWKS-UHFFFAOYSA-N 445.325 2.253 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC(=O)NCc1ccco1 1705619876 DVBVIFOLASZFEK-SFHVURJKSA-N 437.475 2.470 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705660364 TYSSHBBMQHPHGN-IBGZPJMESA-N 437.573 2.479 30 10 IEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705721550 IKLPBABEICUSRB-IAGOWNOFSA-N 439.557 2.308 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1705819536 OAOLQBFTYRWTGM-IBGZPJMESA-N 449.552 2.279 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705830976 ZJQTVCFURQWPDM-WOJBJXKFSA-N 433.597 2.454 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(OC)CCOC1 1705846537 JZOCWWAINNHPRW-DEOSSOPVSA-N 440.592 2.071 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1705873275 CJFADQVIXCDFOK-UHFFFAOYSA-N 435.532 2.332 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)C1 1705925762 TZHKDVZJYMIZRU-RHSMWYFYSA-N 438.500 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2ccc(O)cc2C1 1705937252 NXZNPMOTJDLTLJ-UHFFFAOYSA-N 439.541 2.133 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCn2ccnc2C1 1706076784 CBGACPNCQOBJJX-JKSUJKDBSA-N 438.561 2.325 30 10 IEEE CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1708877356 AFIOQKDBLYFFRN-UYAOXDASSA-N 446.596 2.385 30 10 IEEE CCN(CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1710141073 BANXOGWTORJSKN-OAQYLSRUSA-N 445.593 2.450 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1722360999 DGPJGMUGYNICNN-GOSISDBHSA-N 447.580 2.443 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1722403062 LCHZOYHEVHGDPB-UHFFFAOYSA-N 441.499 2.322 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722483725 DINKTCJHQMHEES-CVEARBPZSA-N 427.306 2.440 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1722499585 CSZWWMYNOBSWTK-ZDUSSCGKSA-N 441.627 2.488 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722598351 FDFLGKXONHPLNZ-UHFFFAOYSA-N 440.548 2.441 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOCC2(CCC2)C1 1722701169 IKBAWWFLSKIHHO-UHFFFAOYSA-N 439.560 2.381 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722701373 OEYUQDLJLGGAHY-SFTDATJTSA-N 439.560 2.140 30 10 IEEE CCOCc1nnc(N(C)[C@@H]2CCc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1728975029 NKCPMTVXRBJLIU-KHOFPDMRSA-N 436.516 2.465 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(S(C)(=O)=O)CCC2)c1 1740562394 JSPMMOHPIQNWJV-UHFFFAOYSA-N 441.557 2.179 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1 1740629246 HALMVLGUNGRCDQ-HSZRJFAPSA-N 432.459 2.045 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1740657737 WZYRWUYVAKBKKY-OFNKIYASSA-N 449.555 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740708627 WSNABJAFHWSCAU-DEOSSOPVSA-N 439.560 2.314 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(C)O)c2)CC1 1740818334 HJRZDLWVVWOUGI-MRXNPFEDSA-N 433.578 2.320 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740964341 NVEJVBBCFWHPDO-SOLBZPMBSA-N 429.496 2.160 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1747813194 USCXOHOJEJTUDQ-HXUWFJFHSA-N 433.459 2.362 30 10 IEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1747966506 ILSCVCYEHPKXQI-SFHVURJKSA-N 443.458 2.486 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748802061 KOUJWRHMJVRTMN-VQTJNVASSA-N 447.580 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)O)CC1 1749003474 KWESNORTTLJBJR-UHFFFAOYSA-N 447.543 2.072 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749241431 NIQCJEAYDRVSCH-HBFSDRIKSA-N 430.553 2.322 30 10 IEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1749380823 AMTBCUVVOMUHOB-HXUWFJFHSA-N 447.543 2.390 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1750076496 OFEZNKIOIYLXNG-ZWWNWMABSA-N 448.568 2.343 30 10 IEEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCCN1CCC[C@H]1CO 1751923634 QWHBMPZAPRNPNH-QFIPXVFZSA-N 437.592 2.412 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760189011 FKXYHMXARORPHV-HXUWFJFHSA-N 425.558 2.391 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1760205387 AFHNCBSOJPUOHB-FGZHOGPDSA-N 432.572 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2ccnc2C)nc1 1760217007 LLMBLSBXDOOVNX-UHFFFAOYSA-N 425.500 2.079 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1COc2ccccc21 1760244043 KMYXQWMOURBLAL-JPYJTQIMSA-N 426.517 2.192 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1760252859 XHHAOXHCLUDPAV-QFIPXVFZSA-N 449.603 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(N)=O)c2)CC1 1760271717 IOKQZLZLDBZYIV-UHFFFAOYSA-N 448.571 2.124 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)CC1 1760389673 QRZQHXCXMXWDNT-DLBZAZTESA-N 441.623 2.053 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1760441163 ZIFSKVMMLYUNJD-HNNXBMFYSA-N 435.516 2.221 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1760528842 ONKPJDGFYVEJBY-UHFFFAOYSA-N 435.576 2.462 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1762061632 IXRIJEDOWSVDBL-KRWDZBQOSA-N 441.580 2.416 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1766441471 FEUULTFLPATHBN-FQEVSTJZSA-N 436.541 2.468 30 10 IEEE CCN(c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1766500432 FFGPVJOGSUUMPG-VHEBQXMUSA-N 427.534 2.149 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769129018 UEOHRLIDVWJOJO-WOJBJXKFSA-N 439.564 2.121 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C3CCC2(C)CC3)n1CCN/C(O)=C1\N=CC=CC1=O 1769966280 MAQSXAPZKRLASY-LCMYGSOUSA-N 444.536 2.050 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1770288350 GSVWCDKAAAPQNQ-FQEVSTJZSA-N 438.532 2.356 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCc4oncc4C3)n2CCSCCCO)cc1 1771534837 QIXMREVEDYDQRM-UHFFFAOYSA-N 440.529 2.395 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3[nH]nc(C#N)c3C2)cc1 1849598174 HFICICZQNLNMRK-UHFFFAOYSA-N 435.509 2.301 30 10 IEEE Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851903403 ZAITXUKHSUXMIO-UHFFFAOYSA-N 447.539 2.251 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1cc(F)ccc1F 1854620952 QMPFBDITYNCABD-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854646184 VXNVBNMRFGCGJX-OAHLLOKOSA-N 427.482 2.019 30 10 IEEE N#CCC(=O)N1C[C@@H](CN2CCN(c3nc4c(F)cc(F)cc4s3)CC2)CCC1=O 1855910913 QIDURYFLPOUWHK-CYBMUJFWSA-N 433.484 2.375 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccc(Cl)cc2)C1)[C@@H]1CCN(C)C1=O 1857045342 KSHFXBFHAHBYCC-VQIMIIECSA-N 433.936 2.203 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1cccc(O)c1 1862591410 YLKSSFXKHVTBRG-NRFANRHFSA-N 438.480 2.398 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)c1ccccc1 1869035837 HNAIVELYJKPUED-HXUWFJFHSA-N 427.526 2.314 30 10 IEEE CCCc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870146533 WDDJZDPKNHMXQE-UHFFFAOYSA-N 444.451 2.335 30 10 IEEE N#Cc1nnn(-c2ccccc2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155496 PVNADDHUOMOQKC-UHFFFAOYSA-N 445.395 2.062 30 10 IEEE C#CCOc1cn(CCOCCO)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870300563 KUJLPRFEKGIJDS-UHFFFAOYSA-N 427.526 2.221 30 10 IEEE CCCCCCCOc1cn(CCCCCO)c(CN2CCN(CCO)CC2)cc1=O 1870411823 OAWLORQGOHPZRD-UHFFFAOYSA-N 437.625 2.470 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1Cc1ccc(O)cc1 1870478659 ONGSPLWRFKHNNC-UHFFFAOYSA-N 442.512 2.345 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN(CCO)Cc1ccccc1 1870499230 HBDBRRULDDXIDW-UHFFFAOYSA-N 448.523 2.441 30 10 IEEE COc1cc(/C=N/N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccc(C)cc1C 1873470294 DWQZZPNFJGAFBX-BYWZACNXSA-N 445.541 2.440 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562025 JWKRVXUUDYMRDD-IRXDYDNUSA-N 426.565 2.397 30 10 IEEE C=CCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1873786404 OKPJPJXAOGNOHG-UHFFFAOYSA-N 430.526 2.472 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)c([N+](=O)[O-])c1 1892035279 UCMWLXCALSTFMP-UHFFFAOYSA-N 445.501 2.407 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(n3cncn3)CC2)[C@H]1c1ccc(C#N)cc1 1892111639 XTSJQCSBVBPTMA-NHCUHLMSSA-N 438.557 2.407 30 10 IEEE COc1c(I)ncnc1N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2008261812 ZXVQFDUUGVERIG-AWEZNQCLSA-N 435.269 2.304 30 10 IEEE N#Cc1cncc(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c1 2174789145 MXWVQLVVOJEGCG-LJQANCHMSA-N 426.498 2.423 30 10 IEEE CC1(C)OB(c2cnc(OC3CC(CS(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2207472401 WTHRRFLKGVRQFC-UHFFFAOYSA-N 446.172 2.345 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2235733213 ZTKFGFRMQKMHEU-SQNIBIBYSA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248446068 VLBKSAGLUBDWDL-KBPBESRZSA-N 437.371 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)CO[C@H]2C1 2255380006 SZBCXKRVAOFGBK-XHSDSOJGSA-N 431.342 2.427 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829760 UWNWYXAOJODOHO-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C 2255837816 VZHWYZJPGOVQHG-CQSZACIVSA-N 436.362 2.235 30 10 IEEE CN(C)C[C@H](COc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2256021820 BLZBCMIFLXYDNO-OAHLLOKOSA-N 435.374 2.402 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256028508 SMEQZVTXLMWYNP-ZBFHGGJFSA-N 433.358 2.032 30 10 IEEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256058972 FJUISGZUMSDWBK-UHFFFAOYSA-N 434.346 2.199 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1CNC(=O)OC(C)(C)C 2267142314 SABYHJOFQBMTNQ-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE Cc1nn(C)c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267191105 XSRFCYHLLTWHQY-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267279336 HDRNUHACRFKNHI-INIZCTEOSA-N 449.357 2.022 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267522566 XUIJPKXPKCJVOV-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)(C2)C1 2267529923 ROBJGQQUYGFQBJ-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269049343 FZJSRTFWGULAPL-QHCPKHFHSA-N 440.305 2.038 30 10 IEEE Cc1c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 2314457376 GWRHBXWVAJAZSN-UHFFFAOYSA-N 446.554 2.232 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCCN1C(=O)OC(C)(C)C 2337194273 KKTPJDZDBVHKMX-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N[C@H](CCO)COCc3ccccc3)c(F)c2)OC1(C)C 2343515735 MMYAUTNFIPNGCB-GOSISDBHSA-N 444.312 2.218 30 10 IEEE C[C@H](Sc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)C(=O)NC1CC1 59815986 ZFINCLXXYVPYKB-TXQWPAICSA-N 425.312 2.478 30 10 IEEE COc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc2c1OCCO2 109940578 UDLHGOKOWFQBGM-MRXNPFEDSA-N 425.466 2.492 30 10 IEEE N#Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2C(=O)O)cn1 318271551 GPKAWANGZYNMFU-UHFFFAOYSA-N 429.195 2.057 30 10 IEEE COC(=O)c1cc(C(C)(C)NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 460662608 OMVAOUGZZYAAGT-OAHLLOKOSA-N 425.445 2.063 30 10 IEEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1c(C)nn(C)c1C 466252709 CXVCXQDVKUIQIN-LJQANCHMSA-N 444.561 2.076 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(c2nc3ccccc3s2)C1 482809382 MZLBVMQADCBFAP-CYBMUJFWSA-N 426.523 2.461 30 10 IEEE N#Cc1ccc(OC2CCN(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 507784034 HPYOFGYYELDPLN-HXUWFJFHSA-N 445.585 2.360 30 10 IEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508477056 ITUCLFGSJBWNEC-JOCHJYFZSA-N 435.576 2.234 30 10 IEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508510965 SNWIXAOAYHVZJE-IBGZPJMESA-N 447.543 2.392 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508800144 DRHPUOSXSOBIJW-QGZVFWFLSA-N 441.532 2.224 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)C2=O)cc1 510129597 BCSPZISLVGXTCR-WOJBJXKFSA-N 445.479 2.075 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccc(S(C)(=O)=O)cc1 511463528 NYZLZKHBPNVYNC-QFIPXVFZSA-N 443.525 2.236 30 10 IEEE COc1cccc([C@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518027366 FJBWODUKAYWPBG-WOJBJXKFSA-N 425.510 2.203 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccccc3)c2=O)nc1 530315651 HPJATLHHSIPKBL-IBGZPJMESA-N 445.544 2.160 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCCO1 534602793 RDWIEGSSARFKRI-SFHVURJKSA-N 426.513 2.490 30 10 IEEE Cn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542218874 OKKMKWGUCZUBPE-UHFFFAOYSA-N 436.493 2.219 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=C)C)CC1 559010409 BPAROFDDYMFPLA-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)c(O)cc21 569279400 ZXMVBYRLCWLPLW-UHFFFAOYSA-N 437.275 2.018 30 10 IEEE COc1ccc([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1F 571943558 ABKDWCCRPIBBJS-AWEZNQCLSA-N 428.439 2.371 30 10 IEEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 572018102 AAIUZNPODSRQKS-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE N#Cc1nccnc1OC1CCC(NC(=O)CN2CCN(c3ccc(F)cc3)C2=O)CC1 585355823 QGUOWEVPUAULJY-UHFFFAOYSA-N 438.463 2.236 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccccc3F)cc21 586311880 BEQAGNGTVAWGBH-SSEXGKCCSA-N 430.457 2.307 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(C[C@@H]2CCCO2)C1=O 730140975 YIKQHUMSDWQFQH-WMLDXEAASA-N 440.516 2.143 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCOC(C)(C)C)c1 730143761 DTCBADWGKXAIBJ-IBGZPJMESA-N 444.601 2.482 30 10 IEEE COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732664635 MJTFOVOGTVWCNK-SFHVURJKSA-N 440.525 2.308 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]1C(=O)OC(C)C 736274130 QLLGSSBXPVPDFJ-SJORKVTESA-N 435.546 2.082 30 10 IEEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 743738405 HAFXHEDZXNRZPB-GOSISDBHSA-N 445.545 2.273 30 10 IEEE C[C@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC1(C#N)CCCCC1 752608002 CIVZJVDKZCWQPY-CVEARBPZSA-N 435.546 2.315 30 10 IEEE O=C(O)C#CCNC(=O)[C@H]1CO[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757488387 DXUHBQWDWZCCEV-IAGOWNOFSA-N 448.475 2.134 30 10 IEEE C=CCn1c(-c2ccccc2OC)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 760413389 FNHZHUNWKSKQRM-UHFFFAOYSA-N 444.605 2.329 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768051858 SGOPZDULNOBTQZ-HNNXBMFYSA-N 426.342 2.043 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](OC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 786472666 JQVFXLYVFMSDCZ-XIRDDKMYSA-N 442.472 2.362 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 788581530 WWSUAOOTYAKJTR-PESPDQJRSA-N 447.561 2.024 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(F)cc1Br 795567939 GFGBPLBAHNOMRM-OAHLLOKOSA-N 435.271 2.068 30 10 IEEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1=S 795653817 GWUSUYVQIIVEAE-QGZVFWFLSA-N 436.607 2.365 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H]1c1cncn1C 796087764 JODDAMYWIJDUJC-CASVQKDBSA-N 431.537 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C[C@@H]21 804158934 CAYWQMXKRVKFDU-ZIFCJYIRSA-N 444.507 2.465 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1CC(F)F 804724879 SBAYLRFWEVMXPC-AWEZNQCLSA-N 429.489 2.168 30 10 IEEE NS(=O)(=O)c1cc(C=NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)ccc1F 807972654 SVDBNKUJHNLTIN-UHFFFAOYSA-N 440.382 2.212 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 812270122 WUQZDFCMIZMORX-IXDOHACOSA-N 434.541 2.361 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3cc4c(cc3O)n(C)c(=O)n4C)ccc2c1=O 812385296 UZEBRYWNRJPTAP-UHFFFAOYSA-N 437.481 2.020 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc2ccccc2C#N)c(=O)n(-c2ccccc2)n1C 916961403 QCZSPUHOLKXHDM-LPHOPBHVSA-N 443.463 2.471 30 10 IEEE C[C@H](NC(=O)CSc1nnc(NN=Cc2cccc([N+](=O)[O-])c2)n1N)c1ccccc1 1083894756 BRKHKHQVENYDBW-ZDUSSCGKSA-N 440.489 2.316 30 10 IEEE Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1124651832 VCKJTEKWMXFTAH-UHFFFAOYSA-N 435.238 2.349 30 10 IEEE Cn1ncc(Br)c1CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1125704923 AYWWPZNASBBTBS-UHFFFAOYSA-N 430.306 2.474 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@@H]1NC(=O)C(F)(F)F 1135089277 PRVLJFXAOFDPLD-CJNGLKHVSA-N 445.463 2.293 30 10 IEEE C/C(=C\C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)CN1CCOCC1 1136331914 PUFKDBFDIUIWMI-KVTFATAVSA-N 448.589 2.497 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c1 1142310595 BBPCKDFKFFWCJI-UHFFFAOYSA-N 447.463 2.250 30 10 IEEE CCOC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccccc1 1142423759 FEUZWKBLWWMSQD-MRXNPFEDSA-N 432.473 2.275 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](N(C)C)C12CCC2 1149196545 TXIJMNPLOBKLDP-QXAKKESOSA-N 432.590 2.129 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1167322261 XFSYHIFJGQTXQK-FQEVSTJZSA-N 442.434 2.360 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCCNC(=O)OC(C)(C)C 1170436095 ADMXXKTYVRRZAE-MRXNPFEDSA-N 427.542 2.341 30 10 IEEE N#Cc1ccc(C2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)nc1 1196418818 GYRLZBUTFSAFSN-UHFFFAOYSA-N 437.519 2.425 30 10 IEEE CC(C)OCCOC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1248376202 TWBKVBRFNJPSFU-NRFANRHFSA-N 428.533 2.275 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1264018482 DHXFGGSBZBBBFC-XLIONFOSSA-N 437.562 2.305 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCCC2)c1 1286376168 GUVRRFKBWVOTHU-GOSISDBHSA-N 443.573 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(OCC)CCCC1 1286462224 HOEYYQAQXVVWKI-UHFFFAOYSA-N 429.521 2.441 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286499406 RBBLNJYQQSWMLE-GHTZIAJQSA-N 436.585 2.340 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286508623 JQTOUEBNBLBAGA-KRWDZBQOSA-N 432.619 2.236 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1286511367 JUVCKPSYADCRGI-GOSISDBHSA-N 438.557 2.187 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1286801905 KARKEVQZVRBRAL-FQEVSTJZSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1C 1286819649 QXKVYMMWEPSGQW-AWEZNQCLSA-N 428.518 2.183 30 10 IEEE CC(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286956514 OAFXMURICUGKBN-UHFFFAOYSA-N 436.564 2.130 30 10 IEEE CC(C)Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287384839 IOTGCLRDLSUTFH-VHEBQXMUSA-N 430.553 2.397 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293272363 LUINSMKYZQRQMK-FKIWZOAZSA-N 428.537 2.323 30 10 IEEE C=CC[C@]1(C(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)CCCN1C(=O)OC(C)(C)C 1295119964 VRZNBCJHCJXJQU-LAUBAEHRSA-N 437.541 2.022 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1 1298755503 PWKOAGWRVSNTRH-UHFFFAOYSA-N 440.504 2.230 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300319767 DWCHUDXLJWMSMJ-RBUKOAKNSA-N 445.589 2.213 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC(F)(F)CNC(=O)OC(C)(C)C 1300428973 WALJITBVQDBVNG-UHFFFAOYSA-N 442.511 2.426 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 1300876622 USVDGRMBPLFYAV-FPCVCCKLSA-N 447.552 2.351 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C(C)(C)C)C(C)C 1301372267 WAOSOQIOMFKXKE-MOPGFXCFSA-N 432.613 2.225 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1301527576 YVDSNPDPIGGBMJ-AZUAARDMSA-N 446.573 2.409 30 10 IEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1303309984 BXHGVEUEABKRTH-NRFANRHFSA-N 440.548 2.065 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)C1 1303559297 YMKRXUYKNCRQFR-MRXNPFEDSA-N 425.514 2.485 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1 1310131950 WTCQBUJIOFNLPO-YWZLYKJASA-N 436.534 2.236 30 10 IEEE COc1ccc([C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)cc1 1312624321 CAFYTNURSSAHGW-FCHUYYIVSA-N 434.496 2.451 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1314510969 CQHSTPROSQIILF-UHFFFAOYSA-N 440.529 2.180 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)CCO1 1315932787 DXWQVPIUKKWZMA-FQEVSTJZSA-N 441.532 2.112 30 10 IEEE COCCCN(C)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316030009 GWYGVHZNXDZVOZ-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@H]1C 1316101913 QHVGNJSLQGBDSO-HZPDHXFCSA-N 430.509 2.045 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358931718 KPSTWDQFDAZORB-IBGZPJMESA-N 445.564 2.426 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1358962236 MNTYTEAGCSASID-IRXDYDNUSA-N 449.602 2.268 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1359009143 JCYWFLDMFGVEGR-PKOBYXMFSA-N 433.553 2.082 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(F)(F)CO2)CC1 1359033017 MFUBGXWIYJZXMH-QGZVFWFLSA-N 447.486 2.142 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359095634 QBPFBNBRWQNJOL-UXHICEINSA-N 445.589 2.398 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)OC)C1 1359106500 GGJIEJDXGLEVAR-WPVAHCMFSA-N 448.564 2.373 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)C1(OC)CCOCC1 1359238495 MOUZRVXMDIUQJQ-UHFFFAOYSA-N 439.463 2.459 30 10 IEEE C=CCn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1359290373 YKRZOHPOURTOEH-HRAATJIYSA-N 449.577 2.350 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC)C1 1359309942 HYDYZERJUKVTLZ-OALUTQOASA-N 425.533 2.358 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C 1360655811 KYFUTTCIQLXKCT-YJBOKZPZSA-N 446.577 2.211 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)cc1 1454456099 VXGJDYRUTRCQBG-UHFFFAOYSA-N 447.944 2.176 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C(C)(C)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 1458865065 OWBJFFLYEMSBBG-OAQYLSRUSA-N 448.571 2.218 30 10 IEEE Cc1ccc(-n2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C(F)(F)F)cc1 1462988328 KKIVCBCCYAIMEM-UGSOOPFHSA-N 438.431 2.210 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1467571599 HUDWLSPRJXNVSQ-XPTSAGLGSA-N 437.743 2.461 30 10 IEEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1469871918 IJMSZOYTFHMRGS-NHCUHLMSSA-N 425.485 2.382 30 10 IEEE C#CC1CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)CC1 1475918329 XFTLNGFRTHQUCA-UHFFFAOYSA-N 448.589 2.431 30 10 IEEE C#C[C@H](CO)NC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1476079843 QTSLNFIVFMERKI-SJLPKXTDSA-N 431.489 2.359 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)OC 1500141878 FRBDAVQEGRTDBE-XXBNENTESA-N 438.532 2.403 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1503731562 DJINTPVLTMBJFU-CVDCTZTESA-N 436.516 2.384 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1504425463 BMFLUTWYHVCVQK-BBWFWOEESA-N 447.561 2.395 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)OC)C1 1507568900 ATDPHGHXFGEPIW-INIZCTEOSA-N 429.546 2.463 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507585871 PQVSWXVIKYCTBJ-LJQANCHMSA-N 438.576 2.404 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507629210 RMZSIYFNODPNIO-DLBZAZTESA-N 449.964 2.045 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1507799783 SJIIKLPNNQRVPT-NNIGNNQHSA-N 438.594 2.165 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1507919729 HVHBYOOLEIOWNM-VGOFRKELSA-N 432.569 2.089 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1507945621 JBUWJDTTXUFJRU-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2)C1 1508109764 NRZVHXSDNGHCSY-WMLDXEAASA-N 439.969 2.371 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1508141273 MAYLEUCEOGIFAQ-IXDOHACOSA-N 428.624 2.493 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508821138 GOZZGAADQUELIQ-FQEVSTJZSA-N 433.516 2.495 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(=O)NC 1513423885 USGIHLCANZMVOK-MJGOQNOKSA-N 437.548 2.076 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1513520215 DSUXPMWLSNIVDF-MOPGFXCFSA-N 438.532 2.230 30 10 IEEE COc1ccc([C@@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1533189007 WNUROYLWPLIIBT-FQEVSTJZSA-N 429.498 2.101 30 10 IEEE COC(=O)c1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 1538789241 DBZVTZGOOJNBOO-UHFFFAOYSA-N 442.497 2.088 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1539171174 HRXNSUOKYTTZDE-UHFFFAOYSA-N 447.543 2.051 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1539196183 FGRPYGYGYRGEJN-INIZCTEOSA-N 437.566 2.020 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1539216147 NQVZHGCWTPKLCN-QGZVFWFLSA-N 431.587 2.194 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1539230604 IUGHANXOOSBNLY-OTIVFRFGSA-N 444.557 2.459 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(F)ccc12 1539265316 FJZJOVCJKKBJCZ-QGZVFWFLSA-N 439.516 2.116 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539926968 YRHMBHFSCQQYRL-GOSISDBHSA-N 449.625 2.260 30 10 IEEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539982674 POPJPQUREBHVCO-ZWKOTPCHSA-N 425.599 2.389 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1540005625 MPVHFJZESRSGNX-SJORKVTESA-N 425.599 2.450 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1540154243 SPHQIFZPMLXSTB-UHFFFAOYSA-N 443.371 2.106 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540855452 UYJSIASSVSDVDY-HNNXBMFYSA-N 445.321 2.366 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540903093 YGWAFAFNSQLZNV-UHFFFAOYSA-N 449.621 2.375 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1540908148 QGSHHNLIPSUTOR-IIBYNOLFSA-N 444.561 2.229 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCOCC1 1540913195 KBGZOQAEZMYMST-UHFFFAOYSA-N 426.546 2.338 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1541280544 HJEQXSMOBRIFPD-DEOSSOPVSA-N 449.559 2.036 30 10 IEEE Cc1nnc(N(C)C2CCN(Cc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543133952 FKTXKYVJABKWEJ-FCQUAONHSA-N 449.559 2.214 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CC3)n[nH]2)cc1 1544855261 OVLAFLYSWVNBCE-BWAHOGKJSA-N 430.534 2.456 30 10 IEEE CCc1nc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 1546376282 QOLLLQFRLJLHKS-LAUBAEHRSA-N 446.577 2.309 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1547700384 HYISDRVZNBEKDF-JPYJTQIMSA-N 436.539 2.285 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC1 1554283252 GKXJSBKLSYLIBS-UHFFFAOYSA-N 430.578 2.174 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1555268595 AJLSGYPXKMZMPP-OXJNMPFZSA-N 425.472 2.035 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC(C)(C)C1 1555628447 HOTHUIPNWPTVSS-GOSISDBHSA-N 434.585 2.243 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1555845268 HGTXYLTXTNVNAA-WMLDXEAASA-N 435.575 2.104 30 10 IEEE C=CC1(CC(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1556541342 TVJNFCFUQOANRZ-HZPDHXFCSA-N 429.583 2.024 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)s1 1558627176 QNWPHFKIDAQOLS-UHFFFAOYSA-N 449.554 2.065 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)n(C2CCCC2)c1C 1560007371 BMQIKQYLAJHFOW-UHFFFAOYSA-N 433.578 2.140 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)C1 1562405132 MYVIJXQWJFNQDP-OAQYLSRUSA-N 440.544 2.321 30 10 IEEE Cc1cc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)ncc1C#N 1566338404 MKFVIJYZWPJLIM-CQSZACIVSA-N 437.237 2.036 30 10 IEEE Cc1ccc(C(=O)N(C)Cc2ccccc2S(N)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1569590105 NOVFNGDSUDIXMW-UHFFFAOYSA-N 444.362 2.214 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588064821 PTIKFWPZGYDRHG-AABGKKOBSA-N 434.606 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCOC[C@H]1C 1588109587 JGFSSMGHKSVYOZ-QGZVFWFLSA-N 427.936 2.401 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1CCN(C(=O)OC)CC1 1588149459 SXCXKIRUOOUNHC-UHFFFAOYSA-N 435.528 2.429 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1588400064 VAZYBIFJXVCDGZ-RTBURBONSA-N 446.596 2.388 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1589088803 JEDFPRJZQMMEOV-UHFFFAOYSA-N 437.573 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589544490 HYBDJWVACIWBDV-AEFFLSMTSA-N 444.580 2.369 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1594697780 GZKNPPJSSSOKGD-INIZCTEOSA-N 437.508 2.164 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CN(C)C)c2)C1 1595745665 VOJKACZVUIFNPH-NRFANRHFSA-N 438.576 2.292 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1595844572 DNJRFZGTSKOQDR-PBHICJAKSA-N 431.653 2.141 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1618905620 UZZOXSIGVGLQHF-SFHVURJKSA-N 440.504 2.044 30 10 IEEE COCCN(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1619873119 GNCXGMRRBCRCSX-HXUWFJFHSA-N 431.472 2.264 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)cc(Br)c2)nn1 1622265077 BFTGHSSEVUHAJL-UHFFFAOYSA-N 436.129 2.468 30 10 IEEE N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(I)c1 1626254326 JYHLQOBYVLCHKE-TXEJJXNPSA-N 435.221 2.053 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CC4(C#N)CC4)CC[C@H]32)CC1 1626479030 LDYCKMPFWDIIRH-DLBZAZTESA-N 431.537 2.074 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1CC1 1629022658 XEIYAYDKQMIXPH-XAHBDIOTSA-N 439.578 2.197 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1629839660 SNGVUTXPZAJEJQ-UHFFFAOYSA-N 430.530 2.077 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOc1ccc(Cl)c(F)c1 1635631300 JGQKLRJOYNTDOT-GFCCVEGCSA-N 425.869 2.213 30 10 IEEE Cc1cc(O)nc(N2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)n1 1644535513 BQGKVBPNROLJHE-UHFFFAOYSA-N 449.515 2.183 30 10 IEEE N#CCCn1ncc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)c1-c1ccccc1 1644932039 PPDSVEIJFHLYIS-UHFFFAOYSA-N 446.389 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN([S@@](C)(=N)=O)CC1 1644938159 UVJYUVPXWLVZNY-WTPASJBYSA-N 447.561 2.128 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1647780172 DQFAGDWNBZAVQJ-VXKWHMMOSA-N 435.547 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3nnc(S)n3C3CC3)C2)C1 1650799341 APIHKEKABVSKAB-YZGUTLMUSA-N 446.577 2.347 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 1654001760 KVWWUXAVZHCCEW-RTBURBONSA-N 442.482 2.291 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCc3ccccc3C)c2)CC1 1667014394 PHBCKYVEMAFGBH-UHFFFAOYSA-N 442.541 2.191 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OCC)cc3)CC2)cc1 1667893035 ZTEQMAQXTGXZEI-UHFFFAOYSA-N 427.526 2.012 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1668998102 JJWQABHDKMCPLL-GOSISDBHSA-N 449.573 2.302 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCn4cnc(C(F)(F)F)c4C3)C2=O)cc1 1672354062 XFXOLWFOJPKTDO-OAHLLOKOSA-N 432.406 2.100 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 1681165504 FMRCYFMTSFXCBI-CYBMUJFWSA-N 430.452 2.119 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1689851656 UDMGDDYMRKXELF-FUHWJXTLSA-N 444.580 2.377 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1689851662 UDNHXXQRVIYMAA-WMZOPIPTSA-N 431.562 2.260 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1689929698 CCXJYYWKUXMFJC-FPOVZHCZSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689992413 KRZKUTQTDKPJNE-QUCCMNQESA-N 446.548 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690008080 UOXDSLOQUJEYQQ-QGZVFWFLSA-N 425.920 2.166 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@@H]1COCCO1 1690101218 SIJWMWLIXHBSED-LJQANCHMSA-N 437.500 2.492 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690178470 ABSFNGVLUANAER-NRFANRHFSA-N 440.617 2.179 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690228639 BSBSPGQRIBHMIO-MJBXVCDLSA-N 426.315 2.015 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(C)=O 1690264953 HJCGLQACFWNRNT-UHFFFAOYSA-N 426.569 2.381 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCCCO1 1690672366 PWOCSVRCYWPVDU-QFBILLFUSA-N 427.505 2.098 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)C1 1690700018 MPHOTVIXXWYZLT-MOPGFXCFSA-N 446.573 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1690717440 GIFGGWNIXLUYTC-OAQYLSRUSA-N 427.530 2.034 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)C)C1 1690717920 VITNFDMVBLYNCQ-GOSISDBHSA-N 449.533 2.315 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN(C)c1ccccc1 1692782199 FBAVIGOTZQONTQ-QGZVFWFLSA-N 445.593 2.155 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)C1 1692853519 ODZRJNALUYJIRQ-FQEVSTJZSA-N 427.463 2.354 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CC[C@@H]2COCCO2)n1 1693410613 MRTVRJPTHGWUAK-OAQYLSRUSA-N 435.532 2.453 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1693888544 OGPFQWJUERCJRI-LJQANCHMSA-N 442.589 2.427 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1COCCO1 1697613685 HOCOSFMTCRACBR-HTAPYJJXSA-N 427.505 2.411 30 10 IEEE N#CC1CCN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1698489935 DJEIUUAPSZCYEW-GOSISDBHSA-N 431.491 2.436 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CC1 1698490671 YQCVKTQGWGTLPO-CYBMUJFWSA-N 437.513 2.216 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCCC1 1705546512 KOCILPLPPHWXLJ-QGZVFWFLSA-N 443.621 2.348 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCC[C@@H]1NC(=O)NC1=O 1705591408 PLTITTMEUJVTOD-KRWDZBQOSA-N 430.468 2.142 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCN(C(C)C)CC1 1705623832 GAXHJFVOGJOITA-UHFFFAOYSA-N 446.983 2.315 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@@H]1C 1705687394 CUTJQGPZXSWETD-RWMBFGLXSA-N 435.413 2.419 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1706066709 NQSAHBOJZGGODT-WBVHZDCISA-N 433.557 2.472 30 10 IEEE CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1708778990 PZIOWVREPFJGQC-MJGOQNOKSA-N 425.493 2.456 30 10 IEEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1F 1708788111 FADFXIJEKUSTOH-SJORKVTESA-N 425.468 2.404 30 10 IEEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1709284058 HCLSEHMQOPWXKR-QGZVFWFLSA-N 432.550 2.047 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)C1CC1 1710568360 BGNXNEGMLJYMGX-MJGOQNOKSA-N 440.548 2.467 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1712685817 UALWDFSYVUMBSA-KRWDZBQOSA-N 438.916 2.403 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(=O)NCc2ccco2)c1 1722307463 OKHOKEIBSGZIJQ-UHFFFAOYSA-N 448.527 2.442 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1)c1ccccc1 1722539406 PLJPZEJFMFBDBU-KRWDZBQOSA-N 431.562 2.385 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSCCCO)CC1 1722562932 RAKRDYBBBPPUCR-UHFFFAOYSA-N 426.550 2.193 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1722601604 YGZXYTMWVLTWIE-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722740857 UFEFRGWTRZCSIU-QGZVFWFLSA-N 443.639 2.205 30 10 IEEE Cc1nc(C[C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)C2)no1 1725431480 AXPXJTHTLHZTRC-GOSISDBHSA-N 448.531 2.446 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726907061 DJDLVNKJFYRZJF-OOADYSHXSA-N 442.564 2.449 30 10 IEEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740579706 VJOALHJKLXIWCR-YZUZCNPQSA-N 445.608 2.279 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1COC(C)(C)OC1 1740583897 CITIYQJEKMEOSZ-UHFFFAOYSA-N 436.520 2.170 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740621671 YMYZHQFLLNZMSB-AZUAARDMSA-N 429.590 2.302 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1740660832 FODMNKBFHRCVKQ-OKZBNKHCSA-N 444.580 2.379 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740678863 UROVTSPAVXJFRU-INIZCTEOSA-N 431.503 2.315 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccccc2F)n1 1740689459 WZPZHONLNXQDHF-LJQANCHMSA-N 438.507 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=C)Cl)CC1 1740706875 GNRBMFOWCNFUFA-UHFFFAOYSA-N 437.935 2.235 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1740730593 CSABYHQJFPHIOK-PGRDOPGGSA-N 444.605 2.382 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740782087 BOFZWDGSTNWCNY-KRWDZBQOSA-N 440.552 2.305 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OC)C1 1740884705 JZDISKRZAROCBT-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740955906 IHKDZPRLGHMQMP-QGZVFWFLSA-N 426.521 2.271 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1740995193 CZCRQHIKMJBOSL-GOSISDBHSA-N 448.637 2.422 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1741009489 CFUYNZMSKMSMOA-OAQYLSRUSA-N 438.532 2.069 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741609816 JZIJRGQXGGQZMD-INIZCTEOSA-N 425.537 2.047 30 10 IEEE C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1)N(C)C 1741843789 BPVZCVDWXWXRNZ-MRXNPFEDSA-N 434.548 2.272 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1747675655 QHHIBGQXAWABMI-LJQANCHMSA-N 438.532 2.425 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)C)c1 1748694558 JEWPCLYOVAEXRA-GOSISDBHSA-N 431.544 2.270 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1748752423 WTUMBWNMRPIPTE-LPHOPBHVSA-N 432.546 2.463 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1748816970 BPUBLOIIBPRREO-GFCCVEGCSA-N 447.508 2.185 30 10 IEEE C#CCN(c1nnc(CC)n1CCCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748817132 FUTUVMJLUQEHQJ-GOSISDBHSA-N 434.537 2.466 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CN(CC(C)C)CCO1 1748836227 RYXIMHYBFXHWJA-IBGZPJMESA-N 426.952 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1748888572 YCPLCENUQJNTFG-QZTJIDSGSA-N 442.564 2.195 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccccc2)CC1 1749001462 SAFBPBCHAGAQHL-FKBYEOEOSA-N 439.560 2.145 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCOC(C)C)CC1 1749011153 WJWJJLSGUDJAMI-UHFFFAOYSA-N 425.533 2.345 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C 1749043608 JPVZIFFPTTZWRC-UHFFFAOYSA-N 426.594 2.493 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1749068277 GOODXDLBKWDDGU-IIBYNOLFSA-N 431.537 2.104 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749625860 AFJWEEXTIAMLSO-UHFFFAOYSA-N 440.426 2.087 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 1749707875 GYYOPZQQETXHFD-AQNXPRMDSA-N 442.539 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@](C)(CC)C1 1749724807 NFPORLFFFCDAGI-FQEVSTJZSA-N 449.533 2.459 30 10 IEEE COCCOC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1750081176 RUXHLSGWZRDNND-JXFKEZNVSA-N 445.520 2.147 30 10 IEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1750874254 BLKKLWGJWHQKCM-UHFFFAOYSA-N 436.520 2.275 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1751157287 DKNOWGNKKGCIGA-APWZRJJASA-N 425.493 2.314 30 10 IEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1760139221 VLEDJTXCPCASFD-IAGOWNOFSA-N 448.568 2.090 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccco1 1760175795 RQEUSYPGQKDNFO-AOMKIAJQSA-N 445.520 2.157 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)OC 1760319773 ULQCZTXVWJHOOR-AEFFLSMTSA-N 435.550 2.174 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCNC(=O)C(C)C 1760325741 SFCOHRGVHWHFHX-TZIWHRDSSA-N 443.596 2.329 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1760334393 JVDFMJJHRGXHAA-OXJNMPFZSA-N 442.520 2.353 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)OC)C1 1760452577 NWCAIVDRRILMJV-SFHVURJKSA-N 438.532 2.499 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1760495738 VXDGLIVAVNVYCV-LJQANCHMSA-N 435.488 2.122 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1 1760524707 GSPQKCJSTOTVEN-UHFFFAOYSA-N 425.924 2.293 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1760533856 NPBTZRRDMORZIG-WMZHIEFXSA-N 443.523 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2ccc(Cl)nc2C1 1760552444 NVMNMQBIBZWJEO-UHFFFAOYSA-N 432.937 2.485 30 10 IEEE CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1760873931 IATAGLLJYLTWFY-HXUWFJFHSA-N 443.596 2.001 30 10 IEEE Cc1ccccc1CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1762124323 SXPNGIOSBWIEHN-XDOYNYLZSA-N 446.515 2.150 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1767317168 PULVWFAMUAXZCN-UHFFFAOYSA-N 439.608 2.442 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1767958792 BQRANYNCKQXXCX-OALUTQOASA-N 427.505 2.068 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1768659618 GTALYJJIHPAVPU-QGZVFWFLSA-N 439.520 2.262 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)o1 1770739808 AQUCWUSDCCVFHH-GFCCVEGCSA-N 443.451 2.472 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772790607 RCALJWHVHPRSIU-UHFFFAOYSA-N 430.482 2.404 30 10 IEEE C=CCN1C[C@H](C(=O)N(CCN2CCOCC2)c2nc3c(C)cccc3s2)CC1=O 1848973066 VCFCMFHCECULTP-QGZVFWFLSA-N 428.558 2.304 30 10 IEEE Cc1ccccc1-n1nncc1CN1CCN(CCNC(=O)Nc2ccc(C#N)cc2)CC1 1851122432 KZZKLFAKEOCCFB-UHFFFAOYSA-N 444.543 2.387 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1851939304 OIDNAGIXKOLBGC-LLVKDONJSA-N 435.362 2.080 30 10 IEEE CCc1c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc(C)cc1 1852900712 SKYYNBHBLSRUPG-UHFFFAOYSA-N 445.527 2.384 30 10 IEEE CC1(C)C(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)s1 1853689934 UFBMLJKZCAKWSN-OAHLLOKOSA-N 428.558 2.360 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 1862629877 HDLQMHQBGAAYSW-SFHVURJKSA-N 426.381 2.284 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862678258 OXFUGFCRUGWGRK-IBGZPJMESA-N 428.416 2.254 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862745633 NRYDDSKOMUMIKO-XIKOKIGWSA-N 440.408 2.341 30 10 IEEE C=CCNC1=C(c2cc(C)ccc2C)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863739031 UCDUEVYXJOHNNP-UHFFFAOYSA-N 439.537 2.049 30 10 IEEE C=CCN(CC=C)C(=O)CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 1868618536 GUZLLWAYFCJGKZ-UHFFFAOYSA-N 425.938 2.200 30 10 IEEE CCCCCCCOc1cn(CCNC(C)=O)c(CN2CCC(C(N)=O)CC2)cc1=O 1870414622 SUWOLGGJICXXSV-UHFFFAOYSA-N 434.581 2.031 30 10 IEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729448 ZXHQUNSJRIZMAL-UHFFFAOYSA-N 439.527 2.327 30 10 IEEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873593275 LQRLVEWZHPJJBI-MRXNPFEDSA-N 438.507 2.194 30 10 IEEE CCc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874273327 FGODISIGLAWCOB-IMQYADFFSA-N 428.562 2.415 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1O 1874278487 SZZXHOBSZFGCPC-YVJZOELXSA-N 431.518 2.245 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1nc(Cl)ccc1C#N 1877758977 GJKJEKBJXJKGTE-GOSISDBHSA-N 436.852 2.373 30 10 IEEE C#C[C@@H](C)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883387528 VACYDAQYBJXTEJ-VLIAUNLRSA-N 427.478 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 1902432146 TXKUMCZISGMEHL-OALUTQOASA-N 437.558 2.428 30 10 IEEE Cc1cnc(C#N)nc1-n1cnc(I)c1I 1940058311 ZMBIJAMWMPTJAN-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE C[C@@H](C#N)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1962360574 VGXYMTBVYXUMBQ-AWEZNQCLSA-N 432.543 2.181 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 1993278175 PQNBNRSRGLVSED-JKSUJKDBSA-N 427.542 2.192 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2009793132 GMRIYZPFZNDCNS-OALUTQOASA-N 430.501 2.264 30 10 IEEE CC(C)(C)OC(=O)NCCCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243388713 CUYPLFKDXACYST-UHFFFAOYSA-N 425.360 2.477 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243435425 QBVGVDJATJNBNB-HUUCEWRRSA-N 430.376 2.254 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)s1 2247812301 OVTHBCMXFVPMPD-UHFFFAOYSA-N 432.273 2.106 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2247819939 LBOZXBIXSBOBET-HOTGVXAUSA-N 425.379 2.384 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2248400966 DDUVZQAUQXBYGA-HNNXBMFYSA-N 426.319 2.248 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404846 NJRGKAKHNGGDIV-LBPRGKRZSA-N 440.375 2.233 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)C1 2255154953 AHVZHANYQBTLLP-FWDORBRWSA-N 443.466 2.351 30 10 IEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255369155 VMGJTCGAGJSHFL-HZPDHXFCSA-N 433.358 2.499 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255647110 TZDUEEIXBCHHGM-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@H]1NC(=O)OC(C)(C)C 2267142091 PIHVCVWLFJEPQZ-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC4(C3)OCCO4)s2)OC1(C)C 2267368758 NPMNJCLDMGVCHX-ZDUSSCGKSA-N 429.369 2.011 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267493013 XPCUHDSLSFUCFG-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267522565 WUOMQXDSGQEGHB-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267527038 AOVBNAMGIKGZKC-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267550946 GIWABDDVXMYANB-XMMPIXPASA-N 440.349 2.336 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)c2)OC1(C)C 2269063778 NONKVWOMANUZSJ-UHFFFAOYSA-N 440.305 2.058 30 10 IEEE Cc1cc(CNC(=O)COCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273770188 SKEQTEAITUKELD-UHFFFAOYSA-N 448.369 2.452 30 10 IEEE C=CC[C@]1(CO)CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2287698294 DRRNPAMPOGABOX-JOCHJYFZSA-N 434.558 2.432 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322257289 SOGHHFXGVCKNPA-CJNGLKHVSA-N 438.305 2.438 30 10 IEEE COCCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)c1ccccc1 20569126 GEZGDLDZWZUYSZ-DEOSSOPVSA-N 434.448 2.424 30 10 IEEE C[C@@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)NC(=O)NC1CCCCC1 96482119 SIHKKEGGBDZRRY-KIWPFMIBSA-N 447.454 2.434 30 10 IEEE C#CCn1/c(=N\C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCCO3 101133969 XLPWEYMNQMDJMH-QURGRASLSA-N 442.518 2.150 30 10 IEEE C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 438391920 YWFININIGXWJPT-UHFFFAOYSA-N 430.529 2.105 30 10 IEEE C=CCN(CC(F)(F)F)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 471458515 ISTHXIRZQHSOTB-UHFFFAOYSA-N 435.468 2.024 30 10 IEEE COc1cccc2c1nc(NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)n2C 472095212 OUDYWACHUICDDN-OAHLLOKOSA-N 432.440 2.297 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C(C)(C)C#N)cc4)CC3)C2=O)n(C)n1 476665849 TUWQRNRMXQBTMR-OAQYLSRUSA-N 448.571 2.483 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 488256792 AWYXPGDXMSBJGR-MOPGFXCFSA-N 426.517 2.422 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)c(OC)c1 490399108 SMCONNRVPWSGCR-UHFFFAOYSA-N 431.514 2.485 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 509031546 SHUJWFZHTZTQHF-CVDCTZTESA-N 437.521 2.132 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cc(Br)c(OC(F)F)c(OC)c2)CC1 512828755 QRSPGALFVNMLQD-UHFFFAOYSA-N 448.308 2.479 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)CCN1C(=O)COc2cc(Br)ccc21 520550870 PXBDUGCGRXVPQZ-UHFFFAOYSA-N 437.338 2.259 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(N3CCc4cc(F)ccc43)CC2)CC1 558729203 GZMGKKSLMIPEMO-QHCPKHFHSA-N 427.568 2.345 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(F)cc1C#N 561761366 YPMGOKPNWXDKAN-UHFFFAOYSA-N 446.504 2.284 30 10 IEEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1 585827465 APNPSVMNDDYDSM-ZIBAAHCBSA-N 435.524 2.334 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OCc2ccccc2)nc1C 586300943 CSKLYBPPCQAAIX-LJAQVGFWSA-N 436.511 2.225 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 609550756 VNYQQKJQVOWJTP-UHFFFAOYSA-N 434.544 2.460 30 10 IEEE CC(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 619848889 OMETWAVSYHDMGT-KRWDZBQOSA-N 427.509 2.086 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H]1CCOc2ccccc21 742144366 HQKNZVPNUDMXEN-LJQANCHMSA-N 449.532 2.150 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 742177079 WADBGAUMVKEYOO-UHFFFAOYSA-N 440.447 2.426 30 10 IEEE COc1cc([C@H](C#N)NC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)cc(OC)c1OC 750575496 UXBPWYCFKMGJJP-JEZWAEDTSA-N 445.497 2.478 30 10 IEEE COc1c(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cnc2c1cnn2C 752371068 IKRJWCRAGNKODR-UHFFFAOYSA-N 446.385 2.320 30 10 IEEE C=C[C@H](CC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 759017136 YATINDGRAFNDBG-CYBMUJFWSA-N 429.322 2.387 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 784805027 XOVIHPFOFRWCGB-SFHVURJKSA-N 427.407 2.179 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)c(F)c3)c2C)nn1 786566451 ZQYCHJADISPPMJ-AWEZNQCLSA-N 440.410 2.287 30 10 IEEE Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 789495182 JQRAEOWRTVAJFU-AWEZNQCLSA-N 448.405 2.201 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccnc2F)cn1 794448672 GETJLEMIVCQBQF-OAHLLOKOSA-N 429.477 2.425 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 797812599 MMKYPOMDKAOARB-UKPHBRMFSA-N 428.514 2.358 30 10 IEEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 798364845 OTEYTBLYCPWRCI-IEBWSBKVSA-N 448.564 2.492 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802581420 OPAAWJRAZIVWBC-HXUWFJFHSA-N 433.564 2.205 30 10 IEEE CC(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802675084 ZVKRYNHVPMQFLA-KRWDZBQOSA-N 432.532 2.025 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)c1 803923195 UYZIVLMLBYQXLI-UHFFFAOYSA-N 431.370 2.305 30 10 IEEE C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Br)cc1F 806780427 ABAXXUJFYHOXRN-JRELAMLQSA-N 425.258 2.475 30 10 IEEE C#C[C@H](N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1)C(C)(C)C 807935187 CGDSBDKZBWZUAA-SAOIJKDLSA-N 443.617 2.040 30 10 IEEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccc1C#N 810866487 IRYOMJMWVKFALG-UHFFFAOYSA-N 449.916 2.171 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)nc1 878390827 AQFUMBLQUHOGLY-QGZVFWFLSA-N 438.484 2.419 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 1136148069 FZPRLQQAPOFAKP-UHFFFAOYSA-N 426.494 2.208 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 1141400764 SVILYVAHKIDVHM-AWEZNQCLSA-N 431.942 2.328 30 10 IEEE C=CC[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OCC 1154004123 HFARLFMSAQSQTA-UNMCSNQZSA-N 449.507 2.124 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1154408562 UGBVWEUYPMTWIZ-QVKFZJNVSA-N 426.517 2.264 30 10 IEEE O=C1NCCN(C(=O)C#Cc2ccccc2)[C@H]1c1ccc(I)cc1 1158010350 VFCXMUOGMMCYNR-SFHVURJKSA-N 430.245 2.342 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C(=O)OC)c2ccc(OC)c(Cl)c2)c1 1194204059 LYLKBQSTYAAMNY-LJQANCHMSA-N 429.860 2.482 30 10 IEEE N#C[C@]12CN(CC(=O)Nc3cccc(CSc4ccccn4)c3)C[C@H]1CS(=O)(=O)C2 1198337624 UZQUCPQWGDMVQP-LAUBAEHRSA-N 442.566 2.183 30 10 IEEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1248540784 XHSLQTNYOACBKK-UHFFFAOYSA-N 435.546 2.220 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2=O)cc1Cl 1264478349 WSEMMZITBHHVAW-HNNXBMFYSA-N 437.887 2.139 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(Br)n(C)n2)cc1 1264645128 LIBJQTRFKMBNIN-HKWRFOASSA-N 440.323 2.248 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1286357052 DPRNBXYILRVXNY-OAQYLSRUSA-N 436.560 2.156 30 10 IEEE C#CCCCn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1286360338 SNGZZMXIMRDTCJ-HSZRJFAPSA-N 431.581 2.427 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN(C(C)=O)C1 1286409456 MBNYKYQLUXPYIU-SIKLNZKXSA-N 433.512 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1286415438 NLPCFZOTGCLZJB-UHFFFAOYSA-N 447.543 2.119 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nc(C)cs2)CC1 1286484259 KNQKXRCJSVWQOB-UHFFFAOYSA-N 438.557 2.434 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286506479 VNOAEAAXEZEDFN-UHFFFAOYSA-N 433.603 2.026 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1)c1ccccc1 1286615609 RDBGDHOGMYICEV-TZIWHRDSSA-N 438.576 2.287 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1286787089 NWQLHULEEZCQSZ-SFHVURJKSA-N 439.907 2.269 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CC)C1 1286807912 HIIJZNRXUZEULF-IIBYNOLFSA-N 448.593 2.181 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)C1=O 1288990103 KYXBVIKIZQIVJD-UHFFFAOYSA-N 427.438 2.117 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1293713342 UKWYTUDMNYDPKL-UHFFFAOYSA-N 443.481 2.144 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3c(Br)nc4n3CCCC4)C2=O)cc1 1297334020 HROFGRFOUBQROF-HNNXBMFYSA-N 442.317 2.384 30 10 IEEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1299929379 ONZSDOUBHBQDEP-OAQYLSRUSA-N 438.532 2.268 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1300706215 JFFPFADVKIZTRT-DLBZAZTESA-N 438.498 2.449 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1301130422 ZUZWHBSJKXWPOL-IBGZPJMESA-N 432.594 2.367 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1301257510 AJRWKHLKUCJXSV-QZTJIDSGSA-N 426.583 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1cnccn1 1301491254 GRHDRXBUAKUEJX-UHFFFAOYSA-N 442.321 2.436 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)OC(C)(C)C1 1301586824 OQHPEIFHKHBLNJ-AWEZNQCLSA-N 439.607 2.238 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccn2)CC1 1301617829 JJPGYWPZBIUENE-UHFFFAOYSA-N 427.578 2.041 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2COCCO2)C1 1302287935 ISACMISODPIZBV-KSZLIROESA-N 446.552 2.204 30 10 IEEE CC(=O)N1C[C@H]2CN(C(=O)[C@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C[C@H]2C1 1303071863 VOTJSNFALQGWPR-SVFBPWRDSA-N 438.528 2.329 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC[C@@H]1OC 1305466867 MNUUIUPTGFEREV-KHYOSLBOSA-N 426.521 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4ccc([N+](=O)[O-])cc4C#N)C3)[C@@H]2C1 1307194721 RYLYPPQVVFSNJY-JQHSSLGASA-N 443.460 2.485 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 1313096856 GGHSQXXINHFNRV-QGZVFWFLSA-N 442.520 2.467 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1358889366 AUYQARQSNZDPHL-ULQDDVLXSA-N 432.546 2.114 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCC1 1358897004 QUGMVPQMICOSQI-INIZCTEOSA-N 428.562 2.130 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1358912320 OOJMZPPXNJKNFN-IBGZPJMESA-N 449.621 2.116 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1358943514 KSUXVOPCFBIVKH-UHFFFAOYSA-N 441.532 2.092 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1359033889 VAKYBKOQFDSEDI-UHFFFAOYSA-N 441.580 2.296 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1359064515 UUCHRQSFDYSINA-VWKPWSFCSA-N 449.552 2.487 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359070057 DNFUICVBOFUGQA-JXALWOEJSA-N 442.608 2.107 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359083042 AMOZUGRUJSAHKN-JKSUJKDBSA-N 428.375 2.238 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1359261840 XPCJMLVTNCJKSX-UZUQRXQVSA-N 443.523 2.272 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1359323365 MWHLKLFJLBBINX-UNMCSNQZSA-N 439.608 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359326702 IEQUURITHWLFEL-YJBOKZPZSA-N 435.598 2.442 30 10 IEEE Cc1cccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1361061124 DWECFBCUSRCDBC-ZBKJMMEJSA-N 436.516 2.253 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1361288776 SSTLZRUGPJVQLW-OAQYLSRUSA-N 426.477 2.412 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)c1 1451644710 UEJNNUWHGJEGFR-UHFFFAOYSA-N 428.510 2.420 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@H]2Cc2ccccc2)s1 1452848407 VDKAVKITEBLCTB-GOSISDBHSA-N 433.599 2.140 30 10 IEEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1454866564 GZMJOHZYPGSQER-NZSAHSFTSA-N 443.500 2.087 30 10 IEEE COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)c(OC)c2)CC12CN(C(=O)OC(C)(C)C)C2 1456292047 MYQRJHOLXODQKV-MRXNPFEDSA-N 429.473 2.049 30 10 IEEE CN(CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)S(=O)(=O)c1cccs1 1458120295 AYXDXOZVMISQBD-CQSZACIVSA-N 444.579 2.072 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(CN4CCOCC4)CC3)C2)C1 1464227107 WHORPVZNUZHAQA-ITGJCUMNSA-N 446.592 2.344 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C2\SCC(=O)N2C)c1 1464287548 BMUPLKHDLDGIOE-DIZYCBPQSA-N 436.559 2.265 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C(C)(C)C 1473808655 IJTISRUMOXAMQP-UHFFFAOYSA-N 429.945 2.046 30 10 IEEE C=CCCSCCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1478936406 XWJFPWYDYJUALL-INIZCTEOSA-N 428.599 2.358 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1500569400 RKQVTRIPGFTIJI-IRXDYDNUSA-N 426.521 2.428 30 10 IEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CCOC 1507568937 UWPCABFKWCXYLY-LJQANCHMSA-N 445.564 2.476 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1507588377 LFJOPGUVEZZIED-UGKGYDQZSA-N 447.605 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507669895 UZCSJKLSLRDWFH-WOJBJXKFSA-N 445.633 2.154 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507780406 BKFGNUVEAQUYMC-IBGZPJMESA-N 427.306 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1508078842 KFAHCSPWHPBVEB-UHFFFAOYSA-N 430.516 2.236 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1516774905 DWFNTCNJBABLIB-INIZCTEOSA-N 430.578 2.170 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1CC(F)(F)C1 1517352118 DAPGUDLGKQQYFD-UHFFFAOYSA-N 439.488 2.255 30 10 IEEE COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC4(CC3)CC(=O)C=CO4)n2)cc1 1538887345 MIIFNUAAFCKLGD-UHFFFAOYSA-N 426.473 2.079 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1cccs1 1539172203 VKMSKIISSPZPNZ-QFIPXVFZSA-N 434.525 2.231 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNC(=O)c1cc[nH]n1 1539195416 YMEOSEISPKFRIT-UHFFFAOYSA-N 435.532 2.377 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1539219406 CGFDHGSVYHJDDG-BZSNNMDCSA-N 438.619 2.290 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539231612 WEVYMSMTQZURLR-HLAWJBBLSA-N 442.585 2.115 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1539296307 OHMLNNOGYJBOOK-JPYJTQIMSA-N 425.508 2.087 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2c[nH]c3ccccc23)CC1 1539428465 RSUJRJWKRYFIIN-UHFFFAOYSA-N 433.560 2.286 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccccc2)CC1 1539491080 LYWYHPDIDONTFG-UHFFFAOYSA-N 440.617 2.495 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1539491704 SKLHZSDFEWEVHU-INIZCTEOSA-N 439.593 2.161 30 10 IEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1539793460 FKEWSGVTZGMPSR-ZDUSSCGKSA-N 429.912 2.128 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C)c2)CC1 1539847402 FANIRKOVDQVAKR-IBGZPJMESA-N 431.562 2.124 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540034022 TWSMYPUSJQDFCJ-SFHVURJKSA-N 448.568 2.127 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(Br)ccc2C1 1540871882 WIPAYBMRUSKPNZ-INIZCTEOSA-N 446.349 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1540888741 XMKKLNRTOBFMIA-OAHLLOKOSA-N 425.468 2.019 30 10 IEEE Cc1cccc(CCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1542646915 FRUCCHDMODUWAK-OFNKIYASSA-N 440.548 2.384 30 10 IEEE Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)n[nH]1 1542942457 CDBKUKCCHZPRQX-UHFFFAOYSA-N 434.552 2.129 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@]2(CCOC2)O1 1555557643 YDZMHAPPNPCGLX-XMSQKQJNSA-N 426.521 2.353 30 10 IEEE CC1(C)CCc2c(sc(NC(=O)N3CC(O)(CC#N)C3)c2C(=O)N2CCOCC2)C1 1562475076 ASVCXYSHAUPUQP-UHFFFAOYSA-N 432.546 2.228 30 10 IEEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nnn1Cc1ccccc1F 1568134055 IDBCHVNPQIQHAS-UHFFFAOYSA-N 431.424 2.463 30 10 IEEE N#Cc1ccc(OC(=O)Cn2nnnc2-c2ccsc2)c(I)c1 1586273902 CLDRROVCIMCUPV-UHFFFAOYSA-N 437.222 2.483 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@@](C)=O)cc1 1588128096 CGVRIQPPRXPUDW-JGCGQSQUSA-N 449.536 2.005 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1 1589171729 QHGICZMRDNFDCH-JOCHJYFZSA-N 427.574 2.437 30 10 IEEE C=CCCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1594774617 LTAPEHRKMRALNC-YLJYHZDGSA-N 426.583 2.300 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1595854848 PAMCDHHEYWTASV-IBGZPJMESA-N 425.497 2.282 30 10 IEEE CC(C)NC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1610090889 AYEIKHWDHSDYOK-SFHVURJKSA-N 438.532 2.226 30 10 IEEE Cc1ccc(N(C)c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1612093999 MGYZEANRCUGEQQ-VZCXRCSSSA-N 449.515 2.117 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1=O 1615833713 IBZTWZRPWMIDBY-YLJYHZDGSA-N 438.532 2.212 30 10 IEEE CCN1CCN(CCCCn2c(C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1615886501 ZOCQUXMIMBJILB-UHFFFAOYSA-N 436.608 2.203 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1620604895 VCTQTPAZJSCXTG-ZDUSSCGKSA-N 425.482 2.204 30 10 IEEE C#CCN(C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)C1CCN(C)CC1 1626637658 QBNNWUWIVJDCGE-UHFFFAOYSA-N 444.580 2.328 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(Sc4ccccc4Cl)nn3)C[C@H]1CS(=O)(=O)C2 1627136254 DFQLOKZJLTWKQB-KPZWWZAWSA-N 434.930 2.292 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 1633958818 SHUXBGWOYWXQAH-XMSQKQJNSA-N 447.557 2.260 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCc2nc(N)ncc2C1 1638904057 WMYPPKOGFUYGPW-LJQANCHMSA-N 434.500 2.350 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)s1 1639371933 RHJMDWVLQPEYBA-QGZVFWFLSA-N 439.603 2.052 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)OCC)s1 1641318524 YDJWAPSOOKQHIW-JRSKDTKFSA-N 426.560 2.088 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(c3nc(C)cc(O)n3)CC2)CCCN1C(=O)OC(C)(C)C 1645591276 GJZVJQGUYJXOPR-QFIPXVFZSA-N 431.537 2.485 30 10 IEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 1653440042 BOVGXOUUPSCWFQ-LJQANCHMSA-N 434.562 2.066 30 10 IEEE N#CCN1CCC[C@@H](CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 1654363326 SJZGBLLZMDOOCY-HNNXBMFYSA-N 442.379 2.355 30 10 IEEE CN(CCc1cccc(C#N)c1)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 1655381541 REWNCVMHPYUCLY-UHFFFAOYSA-N 439.541 2.142 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCn4cnc(C(F)(F)F)c4C3)C2=O)cc1 1672354061 XFXOLWFOJPKTDO-HNNXBMFYSA-N 432.406 2.100 30 10 IEEE CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1674676505 QYRBIIMMAHQNFG-YXJHDRRASA-N 440.363 2.350 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 1675125474 FDKDAWOLXRHTET-HNNXBMFYSA-N 438.406 2.299 30 10 IEEE N#CCc1ccc(CNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 1680853051 GNQJSJJDOQJJJB-OAQYLSRUSA-N 438.503 2.409 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(CO)(c3ccccc3)CC2)C1 1681226276 DPSNEHDOKUYTPQ-PKOBYXMFSA-N 428.533 2.481 30 10 IEEE C=CC[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 1684649228 QRQVMHSWTNHNJK-SFHVURJKSA-N 433.490 2.227 30 10 IEEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)O1 1686181695 SSNJKPKIRXJXIF-IMPXWGQXSA-N 444.532 2.248 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1689893175 WDVOKDYODAYXTA-CVDCTZTESA-N 442.585 2.390 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC[C@@H]1COCCO1 1689973490 DYTRTMMHSUEKJE-QGZVFWFLSA-N 435.322 2.495 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(O)c1 1690013698 ZAOQFKWKPUKATN-UHFFFAOYSA-N 434.525 2.065 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1690107986 KOGLDVGHBBSTHG-FQEVSTJZSA-N 436.965 2.461 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1690155532 KQLXCKNUUKUJLL-STQMWFEESA-N 439.529 2.033 30 10 IEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1)c1ccccc1 1690324260 MNVFTOTXYHYQLY-HXUWFJFHSA-N 443.573 2.481 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCOCC1 1690666264 YBCKSNCUIIDIRS-UHFFFAOYSA-N 438.301 2.376 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)F)C1 1690696488 CSWKRXDMDMDQFR-ZDUSSCGKSA-N 425.436 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1690714534 OBCMWJBTRDBJCF-PKOBYXMFSA-N 445.589 2.400 30 10 IEEE Cc1ncc(CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1693375788 VJBVGYQOEOJENI-ZPHPHTNESA-N 427.534 2.473 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1695495909 ANLJVPWAAWDMMX-GAJHUEQPSA-N 438.532 2.069 30 10 IEEE CN(Cc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1696705301 ALENPSHMOAYVMW-VGVBMJIYSA-N 426.477 2.276 30 10 IEEE COC1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1697641449 KPMHKJPQFULDBM-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCOC[C@@H]2CCOC2)cc1 1698489390 UENORKQHYNJKDT-IBGZPJMESA-N 427.505 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1CC 1705482458 ZWPXEOCRCVGPPH-PKOBYXMFSA-N 444.605 2.138 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705564285 BNXIGGCDEYOPMB-RTBURBONSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1nnc2n1CCCCC2 1705587381 SHHDGVCEYSAUAC-UHFFFAOYSA-N 433.491 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)NC)c1 1705603379 OBGOUQYEROSHSN-VXKWHMMOSA-N 449.555 2.067 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1705614866 YEKRDMSNHJYZOT-GOSISDBHSA-N 443.552 2.251 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705673265 VBXAUEUZASAJBY-DCLXLUIPSA-N 442.608 2.455 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1705913092 DHQMELASTQENRJ-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705932454 DRUQINMWKUYYHI-IAGOWNOFSA-N 433.553 2.358 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2cccn2)c1 1706069523 DZTFFHLSSAGLJS-GOSISDBHSA-N 432.532 2.403 30 10 IEEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1709095590 CSCDIDFWPSQWNQ-KRWDZBQOSA-N 429.546 2.195 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1712510956 USTCOFQOMZHHGQ-IERDGZPVSA-N 431.562 2.378 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1722308163 GZFDKDLUFSIAFS-HNNXBMFYSA-N 433.534 2.057 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1722366277 HEQSKZVVYCNRMB-AEFFLSMTSA-N 449.964 2.243 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1 1722375324 MNHHVUGMYIPEMA-UHFFFAOYSA-N 439.585 2.297 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722385127 ALLUFUWWZUJQPT-SFTDATJTSA-N 443.617 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC(C)(C)C 1722399774 SOAKPIBVEBEZCT-UHFFFAOYSA-N 431.544 2.284 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722407088 YLSRHCUSMQBIDZ-GOSISDBHSA-N 447.543 2.290 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1722412109 VMPKNFSCRXRWPD-FQEVSTJZSA-N 429.590 2.140 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2ccnn2)CC1 1722461854 IEJDNMZARLLWAW-UHFFFAOYSA-N 439.593 2.014 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722464277 ZXSYTIGZCDBASH-LAUBAEHRSA-N 436.578 2.075 30 10 IEEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722556550 CDMQUIQVNIUFDW-UHFFFAOYSA-N 439.969 2.386 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OC)C1 1722710526 KJMIWMNVGHOXBB-GCJKJVERSA-N 429.521 2.163 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2ccc(F)cc2C1 1722727693 PYZAAURWDULHOS-KRWDZBQOSA-N 434.537 2.475 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)C[C@H](C)O1 1727793984 OCCUQAGBAGDYRV-QFBILLFUSA-N 446.577 2.150 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCSCC2)cc1OC 1730072042 DHVPQMPKEQEIGR-OAQYLSRUSA-N 446.552 2.453 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nnc2n1CCCCC2 1730854782 WTNIFUGBYHJQLA-JTSKRJEESA-N 442.568 2.498 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740623918 AACDPQCLMUFDQR-YSIASYRMSA-N 427.574 2.327 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625111 DAAMHAXCISJVFI-VQTJNVASSA-N 435.638 2.224 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740625209 OWVZOTZLCQHHQH-FQEVSTJZSA-N 444.601 2.241 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2[C@@H]2C[C@H]2CF)CC1 1740701982 UCGGIFPTLBZRTP-ZWKOTPCHSA-N 441.507 2.459 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740714628 FIYWBNSPWQWZBG-UHFFFAOYSA-N 446.536 2.439 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1740727752 YBEUVBSAGLJSHD-QGZVFWFLSA-N 440.367 2.083 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCOCC2)CC1 1740834731 AULGDOSDSXWFCT-UHFFFAOYSA-N 446.573 2.293 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740863521 AGAKORDILSJBQH-IEBWSBKVSA-N 448.593 2.331 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCC2CC2)C1 1740993220 ZSSVFUZBMGFBHH-OALUTQOASA-N 438.594 2.168 30 10 IEEE C[C@@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccsc1 1741952506 BYFAUQNITNRJSO-OXQOHEQNSA-N 449.602 2.279 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748804766 KUCAFSAVMXYODY-KURKYZTESA-N 433.578 2.314 30 10 IEEE COc1ccc(COCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 1748838574 UJTCFRPCHLXUOA-AEFFLSMTSA-N 447.561 2.144 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCCC1 1748917158 OMHWHYFZHXGRRP-UHFFFAOYSA-N 447.547 2.173 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1749072112 GAWRSORHXZJMLY-YVHXKWHWSA-N 436.541 2.449 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(CCO)Cc1ccccc1 1749115199 NFZUWMRWOXKCLI-UXHICEINSA-N 427.549 2.396 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1749482899 QLGOSFZIUUFSQB-LJAQVGFWSA-N 438.623 2.408 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)C1 1749697600 LKXXBWCMBGPROV-REWPJTCUSA-N 428.533 2.252 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)C1 1749716934 FBSVAKCXMHKISE-SFHVURJKSA-N 429.496 2.378 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C(=O)NC 1749750257 ZXESBNHPZMQFOJ-OAHLLOKOSA-N 431.562 2.454 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1749959679 RGLFKWIRNLRSIX-GOSISDBHSA-N 430.459 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1760247580 HEXLQNHIMQSNEQ-GOSISDBHSA-N 443.552 2.164 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)CC1 1760264372 KOSNMDUBLGMGKN-UHFFFAOYSA-N 447.587 2.360 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760441447 IOSCQKCQAAFBPR-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1760524552 ATMUMBMJPYLOTI-UHFFFAOYSA-N 430.940 2.149 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760524783 JGNRXCBZKVLLNI-HZPDHXFCSA-N 432.519 2.368 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC)[C@@H](C)C1 1760556984 WEZZNUGERKPGJL-IBGZPJMESA-N 431.606 2.309 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1765439718 HQCAMQPYCPRHBJ-HSZRJFAPSA-N 432.532 2.484 30 10 IEEE CCN(CCC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766862493 JMFBHDRBWIWADO-UFVMTTLYSA-N 428.537 2.325 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1766885291 DQGARNRHCMXYLX-OAQYLSRUSA-N 435.467 2.319 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)OCCO2 1771112039 DVAATOOPGAAKRS-GOSISDBHSA-N 427.505 2.358 30 10 IEEE COc1cc2c(cc1OC)[C@@H](NC(=O)COc1c(OC)cc(C#N)cc1OC)CC2=O 1851888255 YNUQXFOKECEHEO-HNNXBMFYSA-N 426.425 2.415 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CCCC[C@@H](N(C)CCC#N)C3=O)nc12 1856388506 DJCRWOMPWUKAGI-OAHLLOKOSA-N 429.546 2.494 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(Cl)ccc2OC)C1)[C@@H]1CCN(C)C1=O 1857056174 KUUUJYWVBGILLM-MAUKXSAKSA-N 433.936 2.446 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)cc2)cc1OC 1862571036 GKJKBGKRTQSMIX-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 1862757703 MIRPOCOXBKPPKZ-KRWDZBQOSA-N 426.381 2.254 30 10 IEEE CCN(CC)CCCNC(=O)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933342 DJDDFFGWJOXJGV-HXUWFJFHSA-N 428.558 2.315 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4nc[nH]c4c3)CC2=O)cc1 1870159155 ICAJMGPAQMDGLS-CYBMUJFWSA-N 442.439 2.015 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@]12CC[C@@](NC(=O)OC(C)(C)C)(CO1)C2 2006238593 KQYNJWAGWBMQFX-GJZGRUSLSA-N 425.345 2.031 30 10 IEEE CC(C)(C#CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)NC(=O)OC(C)(C)C 2023917773 NONSLGKCAIYPJL-HZPDHXFCSA-N 439.553 2.027 30 10 IEEE C=CCn1ncc(NCCN2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1=O 2162346899 PRIONJRKKPYBQA-UHFFFAOYSA-N 442.358 2.156 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)(C1)C2 2254729816 MWTFDRDYTYKCHG-YTAUUTSLSA-N 434.342 2.363 30 10 IEEE CC1(C)OB(c2cccc(NCCn3cc(I)cn3)n2)OC1(C)C 2255382630 MRELSHKOMFMRIH-UHFFFAOYSA-N 440.094 2.294 30 10 IEEE CC[C@H](CN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255693906 KDYTWUQDPMTCFD-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255827563 YZCHPFODYHFCHF-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256620865 NWLWDGAXICLWTI-QLPKVWCKSA-N 429.326 2.432 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2267120232 HFPUJWSLEPARNQ-GOEBONIOSA-N 448.373 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267140803 SMDPMAYJMGAFER-FICVDOATSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164053 MOBCFNADFKPZKE-INIZCTEOSA-N 446.357 2.295 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267178730 GPMMKDZOVIUSHN-GOEBONIOSA-N 448.373 2.095 30 10 IEEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267265623 IIOJYKVOPABSDC-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2267498485 UYHOPAGNKHHCLV-HUUCEWRRSA-N 448.373 2.141 30 10 IEEE Cn1cc(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504783 XLVJEOZDDKPBRS-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267513289 VDHIBZVARQAXKP-YCPHGPKFSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521941 UXJSYYMOONYWCK-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267547102 GGGOPAJFRWPUFZ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2269768313 HCEXEHIADLWMTM-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE Cc1ccc(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278703311 DLBVXNANOLKHJT-GOSISDBHSA-N 448.369 2.186 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2337197001 RDONOAPDMLPUBO-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE O=C(Cc1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)NCCc1ccccc1 9860467 CRHIZOMSEPBTPR-RTBURBONSA-N 429.567 2.078 30 10 IEEE COCCn1c(=O)/c(=C\c2ccc(OC(F)F)cc2)s/c1=C(\C#N)C(=O)C(C)(C)C 33794849 SCVIDBXASKWPRI-JPKKTZJGSA-N 436.480 2.276 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1-c1ccccc1 107787368 WARQUBIFVWCWLP-UHFFFAOYSA-N 435.509 2.199 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 195728008 LCEHGHUKBSGOBQ-UHFFFAOYSA-N 434.452 2.181 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)c1 462077309 ZFVLZKFSCFXDKI-LJQANCHMSA-N 447.455 2.083 30 10 IEEE CC(C)O[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 463804639 BJKDJHPBNHQFPR-OALUTQOASA-N 434.562 2.166 30 10 IEEE COc1cc(Br)ccc1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472044833 OVAPGEQAFLDIDR-UHFFFAOYSA-N 447.337 2.403 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(CCO)[C@H]2CCO[C@@H]2C)cc1 483298899 WRKFMFOMJGMLIW-UTKZUKDTSA-N 426.517 2.385 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@@H](C(=O)C3CC3)C1)CCCC2 514220906 CWUMMVPRRBBDTM-LAUBAEHRSA-N 440.544 2.036 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 516794039 PTCICCPSGMMRDU-GOSISDBHSA-N 440.887 2.148 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccccc3OC)sc(=Cc3ccco3)c2=O)cn1 522381751 CGUWVZOOOXWVEB-UHFFFAOYSA-N 446.488 2.103 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CC1 525373027 OHLZVIICXJRWMD-UHFFFAOYSA-N 447.539 2.341 30 10 IEEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 561304559 KCBZHMIXZZLFNF-CABCVRRESA-N 448.951 2.391 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)OC(=O)c3ccc(-n4nnnc4C)cc3)cc21 586271108 IENXFFVUJHLSTK-CQSZACIVSA-N 447.451 2.310 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(C#N)c(Cl)c2)c1=O 588157271 YLZUJYYLOBBXLZ-UHFFFAOYSA-N 449.923 2.030 30 10 IEEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1C 590915154 MQFOLBIPOADERU-IBGZPJMESA-N 439.581 2.042 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 603799632 TXWQYDMXTFWKOW-IBGZPJMESA-N 449.507 2.370 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(Sc3ccc(OC)cc3)ns2)CC1 685553907 UUEDKBDJOFWILO-UHFFFAOYSA-N 448.574 2.150 30 10 IEEE COC(=O)[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 739995605 RGPGPJRSVYDJAL-NRFANRHFSA-N 427.526 2.463 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(c3cccc(C)c3C)CC2)c1 742102357 HDFORWZKFMHIOZ-UHFFFAOYSA-N 426.538 2.339 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)N(C)C(C)(C)C#N 756749945 MVRFIPADDBMGNI-GFCCVEGCSA-N 445.335 2.163 30 10 IEEE COC(=O)c1ccc(NN=C(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1 756902518 PIMIBXKDNWSZSE-UHFFFAOYSA-N 447.513 2.339 30 10 IEEE COC[C@@](C)(NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470625 KKFAGZDQNFVYEC-XMMPIXPASA-N 436.464 2.134 30 10 IEEE O=C(Cn1cc(Br)cn1)OCCC#Cc1ccc(CN2CCOCC2)cc1 770857872 DPVKUGTZRCNCNX-UHFFFAOYSA-N 432.318 2.463 30 10 IEEE Cc1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OCCO)c1 773745409 BTDUCVYEPNYGIO-IBGZPJMESA-N 445.541 2.458 30 10 IEEE N#CCCCS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 779257192 RQMDJYIONZCPAD-XWIAVFTESA-N 439.484 2.488 30 10 IEEE Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)c(=O)n1C 782977751 BWQRBPCUVNYABO-IBGZPJMESA-N 449.536 2.366 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@H]2CC[C@@H](C(=O)OCC)C2)c1 797818571 NRIVSEBZVBPNSW-NJAFHUGGSA-N 427.526 2.467 30 10 IEEE CC(C)Cc1ncnc(NCCN/C(O)=C2\N=CC=CC2=O)c1I 804446759 CAQMZJYDHKWSKS-JQIJEIRASA-N 441.273 2.218 30 10 IEEE C#CCN1CCC[C@@H]1COC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 810573335 PYLNTUKWFCDOBI-MRVLITPVSA-N 444.531 2.107 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCc1c[nH]c2cccc(Br)c12 812037973 CMLFUYNCYDIBOZ-ZCXUNETKSA-N 446.305 2.299 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC2(CC1)OCCO2 812181553 OQCVOBQNJSESPW-UHFFFAOYSA-N 432.550 2.158 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)ccc1F 820511322 ZHLUZUOWNUTOJP-UHFFFAOYSA-N 435.525 2.030 30 10 IEEE N#CCCN(C(=O)CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)c1cccc(Cl)c1 856537626 VKAUWLYXXUAETG-VQTJNVASSA-N 425.920 2.437 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 1131760225 NFVLBKCPUCSWAI-UHFFFAOYSA-N 428.392 2.149 30 10 IEEE Cc1cccc2c1C[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N2C(=O)OC(C)(C)C 1136672331 KDDAXJDKGRGQMI-JLUOLNIDSA-N 440.500 2.304 30 10 IEEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1137749636 LSGYDGFLVLJGRF-CQSZACIVSA-N 438.502 2.105 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 1140993119 DOCBIGMKRYSDIQ-SSEXGKCCSA-N 436.530 2.029 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)c1=O 1150300865 URDYRPJKLHQFDY-UHFFFAOYSA-N 433.468 2.382 30 10 IEEE CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1165321993 YNZRZVBXRQLRLG-XMMPIXPASA-N 431.448 2.152 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)cc1 1207945555 CKBBTMKLJOTZNA-UHFFFAOYSA-N 427.592 2.386 30 10 IEEE CS(=O)(=O)CC1CCC(NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1211962828 HBBAVKWWTGUENU-UHFFFAOYSA-N 435.365 2.202 30 10 IEEE CC#CC[C@@H](CO)NC(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1222481876 OHNKAJWBCMCKKJ-GHTZIAJQSA-N 430.526 2.262 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1231405715 YGKATXDYCSEUPE-OAQYLSRUSA-N 426.542 2.301 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]([C@H]3CCCO3)C3(CO)CCC3)C2=O)cc1 1234022967 CRADNVMKXXXHHK-ZCNNSNEGSA-N 426.517 2.063 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc(OC)c1OC 1267477812 AEMOXWPKKTVJGH-QGZVFWFLSA-N 447.513 2.266 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286337245 YJJLTYZSZPFFQJ-NRFANRHFSA-N 425.533 2.310 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1286346834 CUCPKAWJKZUNNN-UHFFFAOYSA-N 426.546 2.410 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1286388109 YFRXHAVUIFVYHB-OAHLLOKOSA-N 442.545 2.234 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286389273 HBJPJNQFAARCEW-LJQANCHMSA-N 446.621 2.409 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286389420 JVPBUIWINOESAA-PMACEKPBSA-N 428.558 2.040 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286398560 LBELYXSCFOGHGI-WOJBJXKFSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cnn(C)c1 1286432285 DJUOOJNLEPEEEE-OAQYLSRUSA-N 445.575 2.005 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)COCC2 1286470431 WAHDLECUZWDORW-UNMCSNQZSA-N 440.544 2.209 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1286570324 UZXBLCBPZJOPRK-PXNSSMCTSA-N 426.583 2.300 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286604330 ILFRVXZCQXCWDB-BBRMVZONSA-N 449.353 2.343 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1286607227 MORRCBALMULQSC-UHFFFAOYSA-N 433.520 2.488 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286711895 QQJKSRMGIQAMOX-RBSFLKMASA-N 436.500 2.408 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)(C)O 1286742652 RRJURNUBVDBLQM-IBGZPJMESA-N 443.573 2.405 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1COCCO1 1286762687 JRAKVZUKADHTOS-FQEVSTJZSA-N 425.533 2.051 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1 1286773793 SEGVDBXNKACFIQ-GOEBONIOSA-N 439.607 2.388 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1289343041 JVIBRRQHCUFHBA-ICSRJNTNSA-N 427.505 2.008 30 10 IEEE Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1290721695 YQZUMDVUVHRURS-UXHICEINSA-N 428.562 2.299 30 10 IEEE COc1cc(Br)c(Cl)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1293032475 MGWHPNAMUFSJMK-PEZBUJJGSA-N 428.670 2.367 30 10 IEEE CCOCc1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297135781 JYMXSFYLGHCYOJ-ZBBYCGENSA-N 428.537 2.358 30 10 IEEE CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)C1=O 1297356259 UNIJGEHELBMKHQ-KRWDZBQOSA-N 444.444 2.210 30 10 IEEE CSc1nc(O)cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1299998162 AGXQCHIVWWTXLO-UHFFFAOYSA-N 434.319 2.291 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1300309357 GRJCEOCNWZWNNW-ZWKOTPCHSA-N 434.585 2.385 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1300356740 FGKSUYUPXRXXAD-GOSISDBHSA-N 430.553 2.337 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2=CCCCC2)CC1 1300710522 DSGHIYGFDCICPA-UHFFFAOYSA-N 438.576 2.370 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(N(C)C)c2)CC1 1300719943 WVIRPCWWMDFIGW-UHFFFAOYSA-N 445.571 2.364 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1300732294 AIQSWGLGNXBBQT-DLBZAZTESA-N 426.546 2.440 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300890953 WPAHBWLMGITXJV-DYXWJJEUSA-N 445.589 2.259 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300944104 FGJWGBNBPYVZSL-UHFFFAOYSA-N 439.545 2.131 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1301593808 UUXQOBSIULVBEA-CJNGLKHVSA-N 437.393 2.436 30 10 IEEE C=CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1301621059 PSULAWOGKURZGX-CBGDNZLLSA-N 435.594 2.097 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1305412936 RIEVRAZLCNFPNS-XGHQBKJUSA-N 439.564 2.293 30 10 IEEE C=CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1312018803 DYODIOKKHOPMBH-AEFFLSMTSA-N 429.521 2.218 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312469894 RVMNQCBHZKINIY-KLHDSHLOSA-N 437.541 2.348 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1314740802 BHXXFTFMKRODOH-MRXNPFEDSA-N 436.438 2.359 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1315645838 DWVNHKSRZFSLMR-MRXNPFEDSA-N 447.561 2.429 30 10 IEEE C=CCO[C@@H]1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 1320308253 OPJBOLJIUZUZPS-HUUCEWRRSA-N 426.254 2.200 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)C1 1323728182 GMRDJZPMAKDZQA-GOSISDBHSA-N 425.526 2.355 30 10 IEEE C[C@@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1348685330 JFUHVYJGEBUVIR-KRWDZBQOSA-N 433.578 2.101 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1358879931 ATOFEDWEWLMWAT-MRXNPFEDSA-N 444.967 2.229 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(O)CCOC2)c1 1358902558 RQCUZWNPPIJXPB-HSZRJFAPSA-N 425.533 2.074 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1358947569 FKYKDVSDCNUDMU-VGOFRKELSA-N 435.569 2.250 30 10 IEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1358963524 JQBNKIUVVAKFDM-QFBILLFUSA-N 430.530 2.217 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(S(C)(=O)=O)CC1 1358970252 JKJKEGVWNQIISN-MRXNPFEDSA-N 430.505 2.207 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359168844 LBYJKSNZIVPXEL-UHFFFAOYSA-N 429.496 2.435 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1359262732 CGKPGNBLTUUSCK-HNNXBMFYSA-N 435.575 2.061 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1359323674 URWNZDCDTTXZGN-VXKWHMMOSA-N 440.592 2.402 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCN(C)C2)C1 1359323953 AEGVQUXFDCXWNR-NZQKXSOJSA-N 427.549 2.013 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1360474881 XHRBUCQNVNCEJX-XOBRGWDASA-N 431.566 2.181 30 10 IEEE C=CCn1cc(C(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)nn1 1449154713 RVFHHIKNZVKNSH-HSZRJFAPSA-N 444.539 2.280 30 10 IEEE COC(=O)[C@]1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC[C@H](C)CC1 1460383748 AIGCCISYLZAEHX-HCLVMJGWSA-N 430.524 2.246 30 10 IEEE C=CC[S@](=O)(=NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1463272868 UXDWQTZIMBILGZ-MUUNZHRXSA-N 437.499 2.455 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 1470615289 NANSUIDDOIXVPD-UHFFFAOYSA-N 433.443 2.462 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)s1 1471759357 ZAGCHDGIARRQRU-AAEUAGOBSA-N 426.482 2.371 30 10 IEEE CCOC(=O)[C@](C)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(C)C 1472004794 RPWXPSRVKNGADF-JPYJTQIMSA-N 442.516 2.495 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1Br 1475351093 CBIJDAHKPYUVOP-JKSUJKDBSA-N 429.336 2.309 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(C#N)o1 1504437083 ANKKMNSOZHMFMV-OAHLLOKOSA-N 436.472 2.046 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1505324759 FZFKWGCETJMSNG-CVEARBPZSA-N 425.443 2.398 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCOCC1 1507528345 TVZNMDFHQJPRLJ-HNNXBMFYSA-N 446.349 2.414 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC(C)C 1507544464 WMGRGATUBFHJTE-GOSISDBHSA-N 433.578 2.260 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1507581139 MOMJEVPTORHNSO-UHFFFAOYSA-N 435.507 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1507647381 ZYEKWKOHNHEPBF-UHFFFAOYSA-N 440.555 2.020 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1507750504 XFSUSTDBBUWUTA-DOTOQJQBSA-N 443.577 2.451 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1507752299 XXRLWAHOLMDMPB-HXUWFJFHSA-N 439.585 2.419 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507962254 OVXKXDCLZVXZEX-WIYYLYMNSA-N 430.597 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508137246 LTCOWMNHCROVPS-OCCSQVGLSA-N 433.456 2.030 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCO[C@H]2CCOC2)CCOC1 1509806170 TXIWAONSIQRKBX-SIKLNZKXSA-N 433.553 2.254 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C[C@@H](C)O1 1512502053 XTUSEZSZHREJBL-IAGOWNOFSA-N 438.532 2.401 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C3(C(=O)OC(C)(C)C)CCSCC3)CC2)c1C#N 1516425800 QNOBSMJNHALODH-UHFFFAOYSA-N 433.578 2.104 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1517626079 IXSPVJREQLAWJR-UHFFFAOYSA-N 445.936 2.051 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1517762057 ASGCUOSGFGVPCW-INIZCTEOSA-N 448.487 2.481 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1520539705 TVVJQOFXOVHRAS-KRWDZBQOSA-N 448.618 2.335 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CC[C@H]2COCCO2)cc1 1521090046 OMNKZURRJXFNBK-SFHVURJKSA-N 432.475 2.009 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3c(F)ccc(S(=O)(=O)CC4CC4)c3F)CC2)nc1 1527961370 CYQPDBNKIZIAKY-UHFFFAOYSA-N 446.479 2.378 30 10 IEEE CCN1C(=O)C[C@H](C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)[C@H]1c1cccnc1 1536335798 MNBFNZKFIZJQFL-CSODHUTKSA-N 438.484 2.398 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1539225885 RXCFXGCJUUPIDJ-AOIWGVFYSA-N 431.537 2.029 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cn2ccccc2n1 1539238285 VBPDVNYHZYVJLS-DEOSSOPVSA-N 432.528 2.282 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccco1)N(C)C 1539299570 KSYJDQBKKNMYQH-AUSIDOKSSA-N 425.533 2.289 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1539306355 HAEFRVHQVUMAKY-UHFFFAOYSA-N 431.500 2.011 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC1(C)C 1539409277 VFEXRARIDGCARD-INIZCTEOSA-N 430.578 2.370 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539441400 NTYAOPPYBIQVHA-LAUBAEHRSA-N 425.533 2.490 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539615740 LCHOXIZPMOUMQV-PZJWPPBQSA-N 432.613 2.373 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)CC1 1539890560 PUTWXMMWNPTXQZ-GOSISDBHSA-N 430.578 2.092 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(O)(c2ccccc2)CC1 1540869625 SBZCKNIWJXGHRH-UHFFFAOYSA-N 432.528 2.439 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 1540891895 BBVSSXRBBWXBTD-OLZOCXBDSA-N 440.513 2.215 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(C)cccc2C1 1540901862 RQTIIXJJGSOPLI-UHFFFAOYSA-N 426.546 2.151 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1541112289 GOEMHGSGKCERNB-NJAFHUGGSA-N 428.512 2.251 30 10 IEEE Cc1ccccc1Cc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1542747497 NLHOIICGNOKBIA-LJQANCHMSA-N 425.514 2.314 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CCC(N3CCOCC3)CC2)c1 1543096848 OBQWDIZXQLPPGI-FLFQWRMESA-N 448.589 2.329 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1545113809 FAXZQJLTGURVPS-INIZCTEOSA-N 429.546 2.399 30 10 IEEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1547496316 XBFVUFDACMEFFU-NQIIRXRSSA-N 426.565 2.382 30 10 IEEE C#CCN(Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)[C@@H]1CCS(=O)(=O)C1 1560681026 CHZOUUWKPVORJO-ZWKOTPCHSA-N 436.574 2.460 30 10 IEEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1570410335 YCJRDDTWZZACNS-GFCCVEGCSA-N 441.904 2.493 30 10 IEEE CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1584032461 HNMUHKSXKMRVSN-MRXNPFEDSA-N 426.558 2.305 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1587639711 MSLQWVSEOYZRLI-ILXRZTDVSA-N 433.603 2.268 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064658 MNBXGFKHRXVUDJ-TZIWHRDSSA-N 447.649 2.369 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCCC1 1588170362 FBPQNCMPSMEESP-HDICACEKSA-N 427.549 2.427 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=C)Br 1588580935 AAQBNYKYMVMXLM-GOSISDBHSA-N 427.343 2.313 30 10 IEEE Cc1c(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 1588787423 PHGJIZYVURFROA-JTQLQIEISA-N 430.280 2.465 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1589059963 LONSLDVQHNSMQY-SFTDATJTSA-N 446.665 2.491 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1593729238 IYWVDUPOSFRIBY-QGZVFWFLSA-N 433.520 2.243 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1593884239 GISRHGRHUZFICF-HNNXBMFYSA-N 442.010 2.316 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1595545623 ZSTUMOZBBIHNCK-DLBZAZTESA-N 445.593 2.162 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)cc2)C1 1595721322 DLUIQXXNNWPMEI-QUCCMNQESA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1595777126 IYJOOTZVRWXNMS-UHFFFAOYSA-N 445.589 2.159 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1595805501 PUCAOLJDANONJB-UHFFFAOYSA-N 437.532 2.152 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)cc1 1598372903 JIDSBAJHFBLKMQ-CQSZACIVSA-N 435.527 2.024 30 10 IEEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1 1606992554 LJZMECIJVUYFGX-VQTJNVASSA-N 438.507 2.398 30 10 IEEE CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1607814438 USXRBSNKMZLLLO-INIZCTEOSA-N 443.573 2.473 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCOC(C)(C)C)CC2)c1C#N 1612472555 YADUKFZVBPDOJV-GOSISDBHSA-N 442.568 2.185 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1614348839 CPCCBBVTAYLWCA-VDGAXYAQSA-N 449.559 2.084 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)Cc1csc(CN2C(=O)c3ccccc3C2=O)n1 1616943662 XZZMQPFNSSTEKH-UHFFFAOYSA-N 435.513 2.181 30 10 IEEE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618131275 JKOIPIBXJICTAL-RKDXNWHRSA-N 449.254 2.386 30 10 IEEE N#Cc1ccc(C2(NCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCOCC2)cc1 1620490639 GMYFCWSQVZFVIZ-UHFFFAOYSA-N 436.468 2.273 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1622507598 JZCLHJPALBZGOZ-UHFFFAOYSA-N 449.598 2.224 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1 1622886582 LEVUUDKTOONNMM-KRWDZBQOSA-N 444.557 2.362 30 10 IEEE COc1ccc(N2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1630718532 ZWMNTPPITBDDFN-UHFFFAOYSA-N 431.489 2.484 30 10 IEEE CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1631704390 FUUQMEYTCSBYKQ-KRWDZBQOSA-N 444.598 2.140 30 10 IEEE CC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCc1cccs1 1634918207 BROIECDCDFUHOO-RBUKOAKNSA-N 439.541 2.115 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C(=O)OC 1635630079 FYLIMHKDKCEREV-GOSISDBHSA-N 448.497 2.439 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cn(C(C)(C)C)c(=O)nc3O)n[nH]2)c1C 1637731213 SHDVPBXEPGTZLD-UHFFFAOYSA-N 425.493 2.023 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCC3(C#N)CCCC3)CC2=O)cc1 1639709795 SDYYKIRBSSSINU-KRWDZBQOSA-N 446.573 2.270 30 10 IEEE Cc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1NC(=O)OC(C)(C)C 1640637224 WCXYBAUJCVDHLV-UHFFFAOYSA-N 425.445 2.173 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1)c1cc[nH]n1 1644131996 QHSOPVQZXFGPAT-LLVKDONJSA-N 428.367 2.470 30 10 IEEE C[C@]1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1(Br)Br 1644912223 UNHUAPWCVHZGNV-CQSZACIVSA-N 428.128 2.498 30 10 IEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1649600952 FDORYGKEEBVHMG-NJNPRVFISA-N 429.496 2.401 30 10 IEEE C[C@@](CO)(Cc1ccccc1F)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1656292872 GEFNAISAKFJARA-UGKGYDQZSA-N 430.549 2.179 30 10 IEEE C#Cc1ccc(CNC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1666464048 DQHGIEKTWAATJY-UHFFFAOYSA-N 443.525 2.409 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689990293 NLHIYQPRFMFGMV-LJQANCHMSA-N 449.621 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C#N)o1 1690042817 DILHVSGJGREVPF-UHFFFAOYSA-N 447.524 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@@H]1C 1690047429 QTCXEJGFGKNXRD-XUVXKRRUSA-N 432.590 2.238 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1690115065 QEBGODSXEPBNCG-HKUYNNGSSA-N 445.564 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)CN2CCCC2)CC1 1690146146 GYVZNLQWSLSKAU-PZJWPPBQSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(CO)c2)CC1 1690146592 RJPUUDHFVOOERO-NRFANRHFSA-N 437.544 2.026 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690178792 GQJGBUUUIRDAIA-GOSISDBHSA-N 426.590 2.323 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C1 1690236181 JKCGVLQTHAAAHC-MNEFBYGVSA-N 431.562 2.390 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690358904 NVRBASFBVJAJQY-VCBZYWHSSA-N 425.917 2.006 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@](C)=O)CC2)CC1 1690367221 GPMVHPMCPDUSIM-NDEPHWFRSA-N 434.587 2.416 30 10 IEEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690510948 KHSASJPEZSBRQA-LJQANCHMSA-N 440.548 2.280 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690673877 HZWKLMURDIUXTC-IBGZPJMESA-N 431.581 2.335 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](C)N2CCOCC2)CCOC1 1692584255 UXIYHVWOSOKZHB-AUSIDOKSSA-N 446.596 2.169 30 10 IEEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCOC1(C)C 1693871644 AGAPJICRLVOTPX-AWEZNQCLSA-N 448.474 2.114 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C 1695874452 BACCHLUGIDVKLI-WOJBJXKFSA-N 437.592 2.315 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC(=O)NC2CCCCC2)cc1 1698487181 COGLIZFWTUIIPF-LJQANCHMSA-N 449.559 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1705480790 WEXXGDATSXUXOP-IBGZPJMESA-N 445.571 2.424 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705539809 CVMYOQVPOAMBBQ-IHPCNDPISA-N 428.537 2.210 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCn1cncn1 1705609614 KMQHYUNWBUZCNL-UHFFFAOYSA-N 430.310 2.467 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CC2(CCOCC2)C1 1705630537 WOWYRACLIGXMMG-UHFFFAOYSA-N 426.565 2.433 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1705633783 YMZJDFBKLXTBMU-WOJBJXKFSA-N 437.592 2.215 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCN2CCOC2=O)CC1 1705641768 SRSBLZJBXKBZMQ-UHFFFAOYSA-N 436.560 2.051 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)NC 1705670809 KCFXJQSKMJJQBL-GOSISDBHSA-N 425.917 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1705677699 YIIOIWFWMJBCMB-HRAATJIYSA-N 429.546 2.067 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705729488 ZPAUXCYWRDWGLW-INIZCTEOSA-N 444.502 2.180 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1706079768 RFMNKKGVFIEMPI-WAIKUNEKSA-N 433.516 2.336 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1706693357 DSZKHUXBGQQBRL-HXUWFJFHSA-N 441.532 2.274 30 10 IEEE Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1707936979 IFQUEFJXMUFFMR-QGZVFWFLSA-N 426.502 2.093 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1708337053 GKMBSPMIDRONBZ-GCKMJXCFSA-N 448.593 2.193 30 10 IEEE CC/C=C/Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709402715 LNHNFIXZTOLIAL-IDOMTICXSA-N 425.562 2.412 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)c1 1711698686 LPIJKGUEEIZFPX-RTWAWAEBSA-N 431.468 2.210 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1712524615 GKKKRBJVRXNLMU-IRXDYDNUSA-N 439.582 2.099 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](Oc4ccccn4)C3)n2CCOCCCO)c1 1712878036 CCZRSPRKMOHAPP-FQEVSTJZSA-N 434.500 2.268 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2F)nnc1N1CCSCC1 1712913214 XTHAOZCDOPTHKF-HTXNQAPBSA-N 428.493 2.164 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722275245 CLZQPAYGTMPVQN-XWTMOSNGSA-N 438.642 2.103 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722363212 ZHMWBASQCCXZQH-GOSISDBHSA-N 427.555 2.271 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCOC1=O 1722386917 AZOZJQBQMDXYCE-UHFFFAOYSA-N 448.527 2.452 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722387657 OUQWSORNWXGGAE-SFHVURJKSA-N 444.580 2.382 30 10 IEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722485106 WRXDLQPUKZPRCT-QGZVFWFLSA-N 438.351 2.264 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1722715453 NSJIZSAZOCTUJZ-QUCCMNQESA-N 441.557 2.423 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1722868549 LEBMGTOFJNPSEO-QWRGUYRKSA-N 445.442 2.381 30 10 IEEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1729857120 KIDRCILVUREANX-QGZVFWFLSA-N 441.536 2.012 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729915072 KUCRUVBBCQQMRW-YKNSSVCLSA-N 440.504 2.378 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)c(F)c1 1740535492 RIMRCWHHPIYXNB-ZWKOTPCHSA-N 445.539 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(F)(F)F)nc1 1740556715 FSQCEIJWLPNEEC-AWEZNQCLSA-N 436.438 2.243 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1740609055 HDSQRZWUEKKOJV-NSHDSACASA-N 429.365 2.122 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740622144 VOLXKWJTIIXJJH-QGZVFWFLSA-N 427.505 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCOC(C)(C)C1 1740643107 GHVKFYWUSJOSDI-UHFFFAOYSA-N 435.572 2.256 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2nccs2)n1 1740688867 KTQRKLZBGMDKJO-QGZVFWFLSA-N 441.561 2.160 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cn2)CC1 1740692350 JBMSYLVICVOHLL-UHFFFAOYSA-N 444.312 2.373 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1740710917 DQBAHLSUSDNYQB-INIZCTEOSA-N 446.602 2.158 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740790589 UDPWCMMJERUVQC-ZWKOTPCHSA-N 441.532 2.270 30 10 IEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1740884856 OUGDKZZQFQVRNL-UHFFFAOYSA-N 429.546 2.264 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1)C1CC1 1740910744 RRXAQRHZAALXRD-KRWDZBQOSA-N 437.591 2.070 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COc2ccccc2O1 1741123506 DTDKBGYZGXFPSN-HZPDHXFCSA-N 433.472 2.361 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1741151673 URKOSKZOUGVCLP-HXUWFJFHSA-N 429.456 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCc1cnc2c(Cl)cnn2c1 1748641012 CJYNEHZXJPLHIX-CABCVRRESA-N 431.928 2.399 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1748697081 CIVMWDQKOUAVDV-SBUREZEXSA-N 442.564 2.421 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1748819905 UJNRREUEXMYUJQ-QGZVFWFLSA-N 436.603 2.230 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCCOC2)C1 1749019954 GVVZGMNWIXEEAL-OAQYLSRUSA-N 426.546 2.299 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749047991 GARIEZSCPLOCCX-NRFANRHFSA-N 429.521 2.222 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749378370 XNIDBYGANKLRTQ-UHOSZYNNSA-N 428.512 2.386 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749386495 HPGZFCJNCJOEFY-KRWDZBQOSA-N 437.552 2.149 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1751587970 HGAISIIWRVOQLS-HRAATJIYSA-N 426.546 2.086 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760191334 FRPKYZYXWQEENI-HOJAQTOUSA-N 434.606 2.310 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)Nc1c(C)cccc1C 1760196854 SSHANRDDPAOWRJ-XMMPIXPASA-N 435.528 2.259 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)CC1 1760396972 MBVXQFIXXKWMKT-INIZCTEOSA-N 443.577 2.181 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1760445669 RPPDLVODNWSHKF-SJORKVTESA-N 449.577 2.269 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1)C1CC1 1760472565 AQMBOEBAWHTCPH-HNNXBMFYSA-N 425.480 2.215 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC(C)(OC)C1 1760557521 OBQKKVNGJCQMRG-UHFFFAOYSA-N 429.546 2.107 30 10 IEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1760710051 DRJKFIXSMODHPC-HNNXBMFYSA-N 434.504 2.379 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC2(C)C)C1 1765671819 GUWGUPNPTNXWPV-ROUUACIJSA-N 428.562 2.381 30 10 IEEE CCN(CC)CCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766683873 HEOLPTJQKXVFRX-SFHVURJKSA-N 437.596 2.339 30 10 IEEE CCN(CCC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766862491 JMFBHDRBWIWADO-JLUOLNIDSA-N 428.537 2.325 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)c1ccccc1 1767862502 ACZKCWQOFXHLFA-QHCPKHFHSA-N 434.500 2.257 30 10 IEEE CN(Cc1ccoc1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768717995 QHYWTRQZVUTCGM-MRCUWXFGSA-N 433.472 2.020 30 10 IEEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1769886364 WYJPJPIMSFJPFG-VQTJNVASSA-N 438.532 2.133 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1770137830 HMYCZHYXIGKUCC-GOSISDBHSA-N 439.520 2.142 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCSC(F)(F)F 1771219450 MMASUYSIPRUIGT-HIFRSBDPSA-N 448.515 2.432 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2c(F)c(F)nc(F)c2F)cc1 1852406008 FZALANWLEABBFJ-AWEZNQCLSA-N 439.365 2.446 30 10 IEEE N#Cc1ccc(OC[C@H](CS(=O)(=O)c2ccccc2)OCCN2CCCC2=O)cc1 1852834745 OQCHILJOBIFOFN-HXUWFJFHSA-N 428.510 2.419 30 10 IEEE Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)cn4)CC3)nn2)c1 1852972776 SSLCSEXUJBWVHR-UHFFFAOYSA-N 429.484 2.185 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccc3c(c2)OCO3)c1COC)C1CC[N+](C)(CC)CC1 1853434314 UHQURJOPTIROFJ-UHFFFAOYSA-N 442.540 2.400 30 10 IEEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)CCCS(=O)(=O)c3ccccc3)C2)CC1 1856147791 VMDKPYBXMJWXFW-LJQANCHMSA-N 431.558 2.241 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CC3CCC(F)(F)CC3)C(=O)O2)CC1 1856671786 KPVAAYLVWMBHMF-HNNXBMFYSA-N 433.477 2.115 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1C(=O)O 1862607956 BSXBZVDMUACHSX-IBGZPJMESA-N 439.420 2.381 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OC)cn1CCO 1870747025 UWAIKVGXRVQFAH-UHFFFAOYSA-N 427.501 2.041 30 10 IEEE C=CCN=c1nc(N2C[C@H](C)O[C@H](C)C2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597405 YMPHBCMAPGXCQU-IYBDPMFKSA-N 428.537 2.468 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874470976 QWHJSGZSDDXAHV-VXLYETTFSA-N 447.502 2.445 30 10 IEEE C#CCC[C@H](CNC(=O)OC(C)(C)C)Oc1ncnc(I)c1N 1986513350 NQBIWQOGOUDMSE-SNVBAGLBSA-N 432.262 2.349 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2124524797 WODMZKOLGSVIKT-UHFFFAOYSA-N 445.369 2.447 30 10 IEEE N#CC1(CS(=O)(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CCOCC1 2174783803 GVBBHNVSUXKPGK-IBGZPJMESA-N 435.546 2.275 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212225398 FHGATFHGUPFILJ-VFCRVFHLSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2243418602 HKBYXHBJBSEEOO-UHFFFAOYSA-N 425.722 2.289 30 10 IEEE Cc1nc(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247907877 JTXNNHLSIKGGFM-ZDUSSCGKSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]12 2247917520 FRPDLQCSHLZMTP-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2255632492 NNVHNRYARNWKFU-OAHLLOKOSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255700223 ZRDHBQOVYPJRDV-VNQPRFMTSA-N 429.326 2.118 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255709506 XCDLPWZKUAXNFZ-NWDGAFQWSA-N 430.232 2.250 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 2255868621 QQCSFWPCOGVBRP-MRXNPFEDSA-N 433.358 2.357 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267135802 GONTYWTVMVGPOL-CABCVRRESA-N 448.373 2.426 30 10 IEEE Cn1cc(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267178139 XWACFESUDJQIQK-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2267182015 AKGYPHVNGDBKHW-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC[C@@]1(NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267510930 UEQDBYMPICDRCK-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267525808 JOPBORMCLVUDTR-RCDICMHDSA-N 446.357 2.086 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267538675 WHIYDFGSLHUTNC-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267550820 FDRHSZDRTDDLSC-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)nc2)OC1(C)C 2267586985 RJKKSBMSCXXHDA-FQEVSTJZSA-N 437.349 2.012 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2282119895 YJTNHZKLDUIKGY-OAQYLSRUSA-N 449.404 2.498 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NCc3csc(O)n3)cc2Cl)OC1(C)C 2282839744 INYGHGZORHNQFC-UHFFFAOYSA-N 436.773 2.341 30 10 IEEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)c1 2296091195 BXLMHOFNMMDNHX-HXUWFJFHSA-N 426.469 2.432 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2329034781 AEEYXSVMMUXCPI-CQSZACIVSA-N 446.489 2.058 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263247 VDHIBZVARQAXKP-LZWOXQAQSA-N 446.357 2.227 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)n1C 2337190799 RVIZPKDJDZJNDH-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2366837168 POMIYLBZQABUFF-DOMZBBRYSA-N 439.306 2.478 30 10 IEEE N#CC1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 441682998 BTDHGCJVBYWYPY-UHFFFAOYSA-N 435.546 2.353 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 460548518 HKRJVSVKWQBPRK-QHCPKHFHSA-N 438.532 2.290 30 10 IEEE COc1cc(C)ccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466554404 VCFJIKXEBLLFKX-UHFFFAOYSA-N 428.514 2.091 30 10 IEEE Cc1ccc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)cc1S(=O)(=O)NCC#N 473163489 IXJWYOZHMPVBNQ-AWEZNQCLSA-N 446.495 2.190 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CC3)c2=O)n1 476993764 INCQGUHAMNEANV-UHFFFAOYSA-N 447.516 2.433 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCCNC(=O)c2ccc(Br)cc2)c(F)c1 481066917 AZOLPMFQYPAASQ-UHFFFAOYSA-N 440.294 2.309 30 10 IEEE COc1ccc(-n2cc(CNC(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)nn2)cc1 483490938 RLUVMOTXDKHWAI-AWEZNQCLSA-N 440.485 2.283 30 10 IEEE COc1cc(OC)c(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 487062274 SAXUIJKOBMQTNZ-LJQANCHMSA-N 438.484 2.184 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC(Oc3cnccn3)CC2)c(C#N)cn1CCOC 488769591 SNZRLMJUQNYXNJ-UHFFFAOYSA-N 442.476 2.048 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 504548661 XUUSZAOHZBGTNF-UHFFFAOYSA-N 441.538 2.086 30 10 IEEE N#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)C1CC1 505939750 YEXWABMOBXVGCC-INIZCTEOSA-N 431.436 2.404 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 508121077 RDXAJVJXNOZYLW-OAQYLSRUSA-N 448.523 2.245 30 10 IEEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2F)s1 510703850 SNGUFSJTWDSEGL-MNOVXSKESA-N 425.511 2.194 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2ccccc2)c1=O 523744397 HMMUSRNXMJKZOO-XLIONFOSSA-N 439.581 2.144 30 10 IEEE Cc1cc(C)nc(SC2=C(N3CCN(C)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)n1 526700775 JBVCNGQPLJSSAV-UHFFFAOYSA-N 434.525 2.090 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 549691305 BSJYHSQIDVFFCY-UGKGYDQZSA-N 436.520 2.271 30 10 IEEE CC(C)C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)NCCN(C)C 556950958 ASIMDNLFOPXWLL-FQEVSTJZSA-N 431.556 2.122 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 568920380 DOQKBHPLBPBRKI-HNNXBMFYSA-N 425.580 2.284 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)ccc1C#N 573651849 MTNAIHCYGBHUMN-PXNSSMCTSA-N 427.549 2.089 30 10 IEEE COc1cc(CNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)ccc1C#N 579540087 AOTQZXURLWNNRJ-OAQYLSRUSA-N 435.528 2.264 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 588132113 DSSWMIOMRSMKTF-KNURTDHJSA-N 435.343 2.108 30 10 IEEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)c1 604002216 ZCYQOHFNFHUGGF-UHFFFAOYSA-N 442.544 2.415 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1Cc1ccccc1 609739358 XYYIZESVKOITEY-UHFFFAOYSA-N 433.508 2.211 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2ccc(C#N)cc2F)C1=O 729818470 UUFHOYRLLTYSDW-MRXNPFEDSA-N 427.461 2.369 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccccn1 730138061 ITSKVJMKMKTQPS-IBGZPJMESA-N 441.557 2.290 30 10 IEEE N#C[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(F)cc1 733620667 BLJMXHQBAKSAHG-SFHVURJKSA-N 426.473 2.368 30 10 IEEE Cc1c(Br)cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1[N+](=O)[O-] 743345286 UKOWHHYVEDCFBP-LBPRGKRZSA-N 429.296 2.027 30 10 IEEE C[C@H](C#N)CN(C)C(=O)C[C@@]1(C(=O)N(C)C[C@@H](C)C#N)CCN(C(=O)OC(C)(C)C)C1 746155234 GJKRYTPZPLTRHN-JLHGSKIFSA-N 433.553 2.240 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(F)cc2F)c1=O 758066237 GYQFIJVKWDRBLW-UHFFFAOYSA-N 436.439 2.216 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 761711274 HGRIKORIARTOPJ-JOCHJYFZSA-N 440.883 2.479 30 10 IEEE C[C@H](/N=C1\S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1)c1cccs1 765547196 JWQFACMCALEACJ-ZBJWALSZSA-N 448.618 2.111 30 10 IEEE Cc1ccc(-c2nnc(COC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)o2)cc1 767628114 PQYFXEQOHPVSMJ-CQSZACIVSA-N 426.454 2.327 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 778056617 NYXXNQATXOZXJU-YJBOKZPZSA-N 435.546 2.235 30 10 IEEE CCOC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2c(F)cc(C#N)cc2F)NC(=S)N1 783811346 VBHAWGWRVCNXGZ-INIZCTEOSA-N 428.420 2.450 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2cccc(OCc3ccccn3)c2)cc1C#N 787176730 NOKBXCABQQNJER-UHFFFAOYSA-N 430.464 2.473 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(NC(C)=O)nc2)C1=O 788409483 COSJONQAYCTXMV-KRWDZBQOSA-N 436.497 2.179 30 10 IEEE CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 796470723 VPFPMBNKSJPACT-AABGKKOBSA-N 428.533 2.247 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812393574 PKYZGCBDKJJXQQ-SJORKVTESA-N 439.541 2.090 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cnn(-c2ccccn2)c1N 815308579 CGNZEHMLYFYMAH-HNNXBMFYSA-N 434.456 2.350 30 10 IEEE C#CCNS(=O)(=O)c1cccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)c1 856567911 SWRLFCBRFMPDFJ-KRWDZBQOSA-N 428.514 2.154 30 10 IEEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775566 WAQAAKXWEUQAQO-IBGZPJMESA-N 445.566 2.364 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCOc2ccc(Br)cc21 1124650538 LSBPZVISPINKLG-GFCCVEGCSA-N 432.278 2.385 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 1130625993 GUUHTKSQRRZTRJ-HNNXBMFYSA-N 426.560 2.013 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)ccc1F 1135137246 LMSBSOIZPJNFPU-UHFFFAOYSA-N 431.445 2.196 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1 1140954562 NTHQPOWZHGUZSR-INIZCTEOSA-N 427.473 2.140 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O 1152128266 FRTFMJCWEHLOQD-UHFFFAOYSA-N 435.436 2.026 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)CCc1c(C)nc3c(C#N)cnn3c1C)C2 1157672423 QPJIODXVMDCJOI-UHFFFAOYSA-N 433.468 2.358 30 10 IEEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1179650566 GQNWOOUTZZNDHP-MXTNKPTQSA-N 439.578 2.056 30 10 IEEE C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCN(C(=O)CC#N)CC1 1194456559 GIPGOISLBBITER-OAHLLOKOSA-N 425.514 2.385 30 10 IEEE CCOC(=O)C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1207456630 IDNLGFCKZDLXFK-LSDHHAIUSA-N 426.395 2.237 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1213384756 CUDOFJLSLSCPDS-SFHVURJKSA-N 444.575 2.037 30 10 IEEE N#Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)nc1Cl 1272463460 RRNHDXOTWAXVOU-OCCSQVGLSA-N 430.814 2.295 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1286273293 DHTHFAOVEYGNFK-XMSQKQJNSA-N 446.573 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1286277560 ZWJJKKKIJBORFZ-KOSHJBKYSA-N 439.560 2.379 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1286358801 PIOQCNDVTQRNMM-QGZVFWFLSA-N 425.533 2.480 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC)C1 1286556091 NIRHADUZXYKJQN-XCJLJZCSSA-N 430.597 2.379 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1286618964 KMMHUGYNQWSQBE-UHFFFAOYSA-N 449.906 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286816991 JVPCGYHJGGMULO-HNNXBMFYSA-N 427.571 2.106 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)s1 1294127379 NEVOLEVYDRLSGU-AREMUKBSSA-N 426.585 2.151 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1294879838 FOFREQCQPGKTIG-HXUWFJFHSA-N 449.559 2.086 30 10 IEEE COc1cc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)ccc1C 1299867113 IEQWPXYLJZBGLY-JOCHJYFZSA-N 426.496 2.402 30 10 IEEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc(OC)c1OC 1299883011 FZRSQCDTNKLGME-INIZCTEOSA-N 440.504 2.043 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1300310683 YTJFHGUQJBEKKR-ULQDDVLXSA-N 432.546 2.114 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](c1cccs1)N1CCOCC1 1300428956 VKSJVVRDNCGLTM-GOSISDBHSA-N 444.605 2.401 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300489385 NDLHJYKYVGBGEQ-QAPCUYQASA-N 435.981 2.175 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(C)ccc2OC(F)F)CC1 1300681438 PKRHWCFFMYLMNW-UHFFFAOYSA-N 446.502 2.130 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1300980511 JOROAUICDOXAGN-KRWDZBQOSA-N 427.505 2.229 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1301298083 YHTDUHZDYQOINP-HRAATJIYSA-N 437.541 2.014 30 10 IEEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301416431 GRLXUEFRIWACHE-QZTJIDSGSA-N 439.626 2.419 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301482788 ZVTLEZYNXAJTME-PZJWPPBQSA-N 438.576 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 1301568724 JKDRHGUYEUNNGN-OALUTQOASA-N 445.589 2.123 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1301920789 PMFSWHYYXIGCNY-SFHVURJKSA-N 437.529 2.377 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCOCC1 1301975032 SHKAQDNKSGIKHM-IBGZPJMESA-N 436.564 2.225 30 10 IEEE C[S@@](=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCC1 1302510051 AZZBPQMPILXRNE-XCGPWYQPSA-N 435.594 2.227 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1303641301 AOVPGTOXQJIYDH-INIZCTEOSA-N 433.472 2.377 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)CC2)s1 1306054352 HMCBMLYXAYSYGL-UHFFFAOYSA-N 438.561 2.047 30 10 IEEE COC(=O)CCN1CC[C@H](N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1308123554 AWDNIZSOICOXKK-GUBZILKMSA-N 438.315 2.253 30 10 IEEE COc1ccc(CN2CC[C@@H]2CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1312468782 HEOPMBGBQIJTMP-QWFCFKBJSA-N 443.548 2.328 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](SC)C(C)(C)C 1316101268 GDPKFBLPSCZRLR-CVEARBPZSA-N 443.639 2.324 30 10 IEEE COCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1316264085 OVCGBCFQYDEOBM-MAUKXSAKSA-N 435.912 2.463 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1358873519 KJQBRPZHTGABAO-WAIKUNEKSA-N 444.532 2.462 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358960719 KIQCGNURTRJWFK-OALUTQOASA-N 444.605 2.020 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1359029633 CPFFPOIMCALYQR-GOSISDBHSA-N 448.493 2.254 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)NC)CC1 1359030916 KKBOTTAAWATHEI-UHFFFAOYSA-N 445.571 2.244 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359054501 XQSKWQFSWLLSNG-OAHLLOKOSA-N 444.586 2.484 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1359136995 AYMVNSHPQKAMDP-DLBZAZTESA-N 433.578 2.388 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@@]1(OC(C)C)CCOC1 1359137230 JMRSRGDQMHOINL-PGRDOPGGSA-N 445.568 2.381 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 1441914683 MBPMBTMDXLOJTD-UHFFFAOYSA-N 429.498 2.345 30 10 IEEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1466590024 GFGYZRMIILYTSQ-FQEVSTJZSA-N 444.513 2.221 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)CC1 1467991862 NRZVDEWAOUFGLP-AWEZNQCLSA-N 431.493 2.162 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](CN3CCOCC3)C2)cc1C 1470687639 YKRMBECULKCXNO-OAQYLSRUSA-N 437.544 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)CCC[C@@H]12 1471750820 DMQIZBKHZDRBJB-QTQXBYQESA-N 432.521 2.199 30 10 IEEE CCN1CCN(c2ccc(Cn3c([C@H]4CCOC4)nnc3N(C)[C@@H](C)CC#N)cn2)CC1 1502316880 UBAASKSVZXJUGX-ICSRJNTNSA-N 438.580 2.106 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1CCOCC1 1503107704 ABOVEKNSQHMHMC-KRWDZBQOSA-N 440.552 2.008 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N2CCCCC2)CC1 1507725306 SLPSVYKGVNKOMN-UHFFFAOYSA-N 436.560 2.112 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507747760 LDJYLGVGXDRSAL-QAPCUYQASA-N 441.557 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCc1noc(CC)n1 1507770498 UOTMCOSYNJBKMN-OAQYLSRUSA-N 439.545 2.450 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1507978769 RYQDEOBKRTVDKT-QGZVFWFLSA-N 437.548 2.018 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508090869 KIYIDZXXJDYUKV-UHFFFAOYSA-N 434.482 2.191 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC[C@@H]1C 1509682516 FELMJKGESHRXLO-PKOBYXMFSA-N 436.564 2.446 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc2cc(Cl)ccc2s1 1509691663 BIUAPOHZKJWCPN-ZDUSSCGKSA-N 445.936 2.456 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1510295306 LOOKMDPPZZSMSW-KRWDZBQOSA-N 448.506 2.348 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCO1 1514179607 HEFBXMUBAALYTG-GCJKJVERSA-N 427.505 2.149 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCN(C)C(C)(C)C1 1518454404 DGYRYWKTIVAIBI-IBGZPJMESA-N 439.608 2.499 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1518682499 FZCQUQJTGUEWEH-IBGZPJMESA-N 439.564 2.438 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)CC2CC2)C1 1521055251 CDFJORIDUJBDDU-IBGZPJMESA-N 448.480 2.120 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1538547151 BPRFLFGXAOMAQJ-WOJBJXKFSA-N 428.533 2.132 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1540558209 DEAIXAVVRCHCLR-UHFFFAOYSA-N 441.329 2.395 30 10 IEEE C[C@@H](Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C)N(C)C1CC1 1544581854 AIZOTUFLPSAWHR-DLBZAZTESA-N 437.596 2.435 30 10 IEEE Cn1ccnc1C(=O)N1C[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@]2(CO)C1 1548366395 LXZAYKPLSAGBDH-QRWLVFNGSA-N 433.434 2.272 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1CCC2(C1)OCCO2 1555559157 ORJANCZTYCUPTD-IBGZPJMESA-N 426.521 2.174 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1555946241 XLZPRCXMHUVOQZ-VQQBODKTSA-N 445.886 2.314 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(Br)n2)CCO1 1555994208 GHLRTNAKBYPZJK-INIZCTEOSA-N 440.305 2.198 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1558465738 NWHIPCHKWXYXCH-VGOFRKELSA-N 429.521 2.118 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1568894501 LINFTRCTSHSALI-UTKZUKDTSA-N 430.476 2.020 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(O)CC(OCC)C2)c1 1587696805 AZJBYKJACBWJAV-UHFFFAOYSA-N 437.544 2.217 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2C)CCOCC1 1587988640 AIFMUTCKTZZWFM-LJQANCHMSA-N 442.585 2.306 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1588050161 PFRXTLDNUUZUTO-SFHVURJKSA-N 439.541 2.347 30 10 IEEE CS(=O)(=O)CC1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1588213001 BUOWXSNJYJSXTR-UHFFFAOYSA-N 426.560 2.097 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)Oc2ccccc2)CC1 1588733025 KGNJCAQLSHLLPM-LJQANCHMSA-N 438.576 2.419 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2c[nH]nc2C)CC1 1588769393 SBQLMHGCYZAFEK-UHFFFAOYSA-N 434.504 2.273 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 1588892065 WLDNSGGFNIMNFR-YXYSEUPNSA-N 443.592 2.404 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1589514983 KMFWGJSQLFYXFF-HKUYNNGSSA-N 431.562 2.335 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1594813054 NJRHSRIPPADEDF-MSOLQXFVSA-N 426.583 2.168 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)NCC)CC2)cc1 1595639552 BQOPAEFOXKBKTP-UHFFFAOYSA-N 428.537 2.279 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)C1 1595673804 JQVWQQHQGDGFPM-PBHICJAKSA-N 439.969 2.371 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595759898 HIAQQZHLQNCMDN-YWZLYKJASA-N 439.582 2.106 30 10 IEEE Cn1nc(I)cc1C(=O)NC1CCN(c2ccccc2C#N)CC1 1596109498 FCJVAZCCTZHPMR-UHFFFAOYSA-N 435.269 2.295 30 10 IEEE Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 1597271760 KDXAHFKMOJDXBK-UHFFFAOYSA-N 442.497 2.492 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)C1 1611774933 ONGWEYHYBMNKLY-GOSISDBHSA-N 444.293 2.250 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1615316536 FIDPSCZYCWEQKI-XMMPIXPASA-N 449.559 2.324 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(OC)c(O)c1 1616824447 JPHZHEMIIJLAFV-UHFFFAOYSA-N 436.472 2.112 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1617868701 HAHWGAHWRGJVKI-ZQHDKMAOSA-N 426.546 2.038 30 10 IEEE CO[C@]1(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCOC1 1619062899 MYRLYBLFDVNFMK-FSTVOOFJSA-N 448.568 2.450 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1619615750 JOFYQMXJBUXPSL-FQEVSTJZSA-N 446.490 2.395 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1622325112 KQAFGIMDGDERKA-UHFFFAOYSA-N 448.545 2.057 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1ccc(F)c(C#N)c1 1627830532 SNFPFHQFIRNFLK-YSVLISHTSA-N 437.493 2.306 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)cc1 1627848871 TZPZDYLXFURLAA-UHFFFAOYSA-N 435.509 2.488 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(SCC#N)c1 1630184360 FSGBOMBZDHPNEI-UHFFFAOYSA-N 434.499 2.261 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC1 1630465858 KEHSVTJBKUBKCK-UHFFFAOYSA-N 447.388 2.066 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 1634109281 YSGAQHHRRUBQDO-IPMKNSEASA-N 425.489 2.400 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1635692897 PJDYEZJNQQIGQM-UWJYYQICSA-N 440.481 2.217 30 10 IEEE C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1636185577 LXTLJMAVADLKBG-MRXNPFEDSA-N 429.521 2.382 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1640916871 XGXLDJKQUFAVAK-VXKWHMMOSA-N 441.553 2.292 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)ccc1F 1641226849 KQCDMCYKTRYLMA-ZDUSSCGKSA-N 429.514 2.275 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCc4ccc(O)cc43)CC2)cc1 1641725422 DPTPBSKIALQRBQ-OAQYLSRUSA-N 425.510 2.468 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(F)F)CC1 1642445433 IEYSWTYWSDRBGA-GJZGRUSLSA-N 429.489 2.022 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)cc1 1645669801 VNHVXKPQABUBMC-FQEVSTJZSA-N 448.566 2.153 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2snc(OC)c2Br)c1 1646103191 MPIYQBWDFBZEQN-UHFFFAOYSA-N 446.348 2.309 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)N(CCO)C[C@H]2C)n(Cc2ccc(F)cc2)c1C 1646271349 DZIMHIXNBOLZJC-DLBZAZTESA-N 441.551 2.489 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)c1 1648465550 LRBPQAFOYVPKCE-QXAKKESOSA-N 445.338 2.429 30 10 IEEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]2CCCN(CC#N)C2)c1 1648595716 XLGXHJOUFLWCGN-AZUAARDMSA-N 430.549 2.483 30 10 IEEE CC1(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)CCN(c2ccc(Cl)cc2C#N)CC1 1648709374 PTCIYSLEMGEMHT-QUCCMNQESA-N 428.920 2.424 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1649669332 BYPKZJOGKJKZBS-RLBWVDARSA-N 440.479 2.226 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1650972165 LIBFYVXZNCVSRT-RDJZCZTQSA-N 432.380 2.486 30 10 IEEE COc1ccc(OC)c([C@H](C)NC(=O)Cn2cc(C#N)c(I)n2)c1 1656671983 FYWKVGVJWXVKBQ-JTQLQIEISA-N 440.241 2.254 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cccc(OC(F)(F)F)c2)c1=O 1656779328 VXUKCYGGAJTUHO-UHFFFAOYSA-N 425.363 2.170 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1666515126 UPOFNZXJVJIKTN-SFHVURJKSA-N 429.498 2.212 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1672712273 NOEMKAVCBARCAC-SJCJKPOMSA-N 440.319 2.416 30 10 IEEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)cc1 1675405753 DZLHBFYKZRIPRQ-UHFFFAOYSA-N 441.509 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1681080605 BEIDMHGGRGFNPF-ZWKOTPCHSA-N 445.520 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CC(=O)N(CCOC)C1 1689861418 VDLVJMKFCYJIFR-RBUKOAKNSA-N 434.544 2.234 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1689888783 QOXVQCCFPWQMIN-GOSISDBHSA-N 443.552 2.175 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1689938820 XLZHTCDVFJMJQL-SFHVURJKSA-N 426.496 2.450 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689987667 AHBUHTYHBUNCHY-MOPGFXCFSA-N 432.521 2.309 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689992083 GXDDNGIRLKDMJA-NVXWUHKLSA-N 436.578 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC(C)C)nc2)CC1 1690152422 KLQJJMGAHHGGBT-UHFFFAOYSA-N 440.548 2.011 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690672280 NQQDHAVMZUUNKW-UHFFFAOYSA-N 430.597 2.398 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)c1 1692973377 BFSONECVPMBZJV-UHFFFAOYSA-N 448.531 2.367 30 10 IEEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1694488177 AUINGNQCBJSAMA-FUHWJXTLSA-N 430.578 2.385 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1698494563 WVXXBVHCGNHOLP-ROUUACIJSA-N 432.475 2.030 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OC)c(OC)c1 1705475725 OEOPFURSUACNCU-OAHLLOKOSA-N 427.505 2.046 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705538760 ZMUGJVDGFHJIBI-UHFFFAOYSA-N 435.507 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2([S@@](C)=O)CC2)CC1 1705645826 GHGRMJXMEGNRGT-WJOKGBTCSA-N 439.585 2.130 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705704718 YQJGAVPCHJZUHJ-AZUAARDMSA-N 435.532 2.395 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705732967 LAZVTVYTLWQPGM-IBGZPJMESA-N 438.576 2.327 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705831367 ORLAAUAFDWOXFU-QZTJIDSGSA-N 430.578 2.474 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1705890700 CQTNFEATLPUCHS-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC=C)C1 1705920693 CMYSTVLMFGBWLP-IBGZPJMESA-N 427.530 2.199 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705930233 JEIYGFKCAZOHJS-HNNXBMFYSA-N 438.554 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705936690 WOQUQHXEUATDFF-IRXDYDNUSA-N 426.583 2.024 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1706079765 RFMNKKGVFIEMPI-HJPURHCSSA-N 433.516 2.336 30 10 IEEE Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)s1 1707777294 OQDORBXYWGAYBO-ZDUSSCGKSA-N 432.531 2.095 30 10 IEEE CC[C@@H](Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1)OC 1708773279 HBXRKBRALHNHIJ-YWZLYKJASA-N 449.556 2.414 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1 1710874324 CFVDIXAVWRWKFI-UHFFFAOYSA-N 431.518 2.239 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCSC2)cc(OC)c1OC 1711653599 FYAODZHFPZYSQP-ZBFHGGJFSA-N 445.545 2.453 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1712593060 JDPSLKUZNFBQNB-OAQYLSRUSA-N 448.527 2.114 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1722290494 MADQMPRTFIIIPT-KRWDZBQOSA-N 428.968 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1722392814 UFGJTTIREPFGRP-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)Nc2ccccc2)CC1 1722439277 WCXRDTDSZMEKIZ-UHFFFAOYSA-N 429.528 2.048 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCCC(C)C)CC1 1722439926 UYFCVWKRZNVFGV-UHFFFAOYSA-N 435.576 2.335 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCOC1 1722534522 OJFNQGJPAMATFI-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1722534940 SUYRYTZIMQJMPG-UHFFFAOYSA-N 425.537 2.309 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC[C@@H]2C)CC1 1722579345 OCURRQDNVAMLJE-KRWDZBQOSA-N 444.605 2.393 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1723226580 MJUAMZDUQBYSRM-SFHVURJKSA-N 446.577 2.150 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1=O 1723454667 DHFFITXKGQCIRT-NRFANRHFSA-N 435.576 2.462 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1728556810 YJSVCLIYYUPSKF-QBOXDYFISA-N 441.580 2.381 30 10 IEEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccsc2)C1 1729597823 HLJROKJAINULAR-QFIPXVFZSA-N 438.557 2.493 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740580558 BMMMWQYFEPSBBO-QFIPXVFZSA-N 442.951 2.237 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1740671736 NMMGPUKZYHETNW-IEBWSBKVSA-N 427.574 2.091 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740718078 HMPIYYMZJXUDJI-SFHVURJKSA-N 430.578 2.075 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 1740885071 WAGLZRQZCFMRPH-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740951175 RVNKWBIDRTXGEI-HNNXBMFYSA-N 445.593 2.121 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(=O)NC(C)C 1740952401 CVTDYLSEPROBEH-UHFFFAOYSA-N 435.532 2.065 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1747548279 HWGIVKQTJZUBJE-BTYIYWSLSA-N 438.467 2.263 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748818096 VOSRBEHCUQYWHR-PMACEKPBSA-N 435.638 2.368 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC(F)(F)C2(OC)CCOCC2)CC1 1748972152 CLNUNHGRNUBUHP-QGZVFWFLSA-N 425.524 2.378 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CC)CCOCC2)CC1 1748977893 LODMNRYFIXBFMI-XMMPIXPASA-N 445.608 2.281 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCn2ccnc2C)CC1 1749015557 GXPVPCDSTPPANP-UHFFFAOYSA-N 445.571 2.234 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749272339 QYXSHTOOGDQLEU-AEFFLSMTSA-N 432.956 2.384 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749402152 KPFJXMINBSQZDP-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1749488079 IKYWYSMYJBENKQ-HUUCEWRRSA-N 431.628 2.011 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749664527 QRAPQFURIMFDDW-BBRMVZONSA-N 439.438 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](OC)C(C)(C)C1 1749729104 BCLMTEQNOXYHBT-SFHVURJKSA-N 434.562 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCSC(CC)(CC)C1 1749734144 FJCNQRCSYSWYEI-MRXNPFEDSA-N 428.624 2.495 30 10 IEEE CC(C)OCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1751041287 UCIKUCHLBUDFME-LPHOPBHVSA-N 426.587 2.224 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1751055972 CYUBFZIKUNJOJH-UHFFFAOYSA-N 447.561 2.167 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1N(C)C 1760112941 NYQCMZZJFKOIHS-GOSISDBHSA-N 445.575 2.419 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCS(C)(=O)=O)c1 1760128441 HZWZQDQZKMWDIU-UHFFFAOYSA-N 429.546 2.037 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1760184717 YRHTXELRLXODMG-BHYGNILZSA-N 433.465 2.011 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760190532 RRARJKVSLOCELB-LJQANCHMSA-N 446.548 2.466 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760200240 ZDPJVAGNTXDZDC-JOCHJYFZSA-N 432.572 2.269 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1)N1CCCC1 1760206753 KWPHTASKGZUDIU-QFIPXVFZSA-N 430.556 2.310 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760245665 AQSFLXLBWYVYME-QFIPXVFZSA-N 446.555 2.041 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760291321 KIBGEVLWORFBIY-OPAMFIHVSA-N 442.951 2.481 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1760525342 BVMKWQLUPBRZBU-UHFFFAOYSA-N 448.527 2.146 30 10 IEEE CCc1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)s1 1764585007 BZNKZZLSVOCBQD-HNNXBMFYSA-N 434.591 2.377 30 10 IEEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1767982786 CJQHFOCBSRQXNR-IBGZPJMESA-N 438.532 2.275 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1769601006 VAJMABABUXBKJQ-BBRMVZONSA-N 449.441 2.484 30 10 IEEE COCCOCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1770142511 AUNVVTRKEXNJKR-UHFFFAOYSA-N 447.561 2.142 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C[C@@H]1O 1770625943 CLVXDIVPSSULTC-UTKZUKDTSA-N 435.532 2.302 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1C(=O)CN(C)C(=O)[C@H]1c1ccccc1Cl 1851341826 VDLIAXKKADKSKG-LJQANCHMSA-N 427.844 2.168 30 10 IEEE N#CCCN(CCC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1851472334 FEWPGDLPMUZSAH-INIZCTEOSA-N 439.335 2.258 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(Cl)ccc2OC)C1)[C@@H]1CCN(C)C1=O 1857056173 KUUUJYWVBGILLM-CRAIPNDOSA-N 433.936 2.446 30 10 IEEE N#Cc1c(NC(=O)COc2cn(C[C@H]3CCCO3)c(C(=O)O)cc2=O)sc2c1CCC2 1857893233 LIPWQHGBYZTQJF-GFCCVEGCSA-N 443.481 2.165 30 10 IEEE N#Cc1cccc(NC(=O)c2ccnc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2)c1 1860508586 WKZSFIFZVPMOQT-UHFFFAOYSA-N 425.404 2.440 30 10 IEEE COCc1nnc(SCCCO)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874503063 OONKBXCCGCSQEM-CAOOACKPSA-N 431.312 2.258 30 10 IEEE CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(COc4nccnc4C#N)CC1)(C3)C2 1891777470 LDXSAHXDEUPIGQ-LHHMWQFHSA-N 437.544 2.441 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1993686971 QNGNRZXHOBHTDX-BZUAXINKSA-N 427.542 2.190 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1993687722 ZCUJYLSGLGHXOO-OAGGEKHMSA-N 427.542 2.332 30 10 IEEE COc1cc2c(cc1OC)C(=N[C@H]1CNC[C@H]1C(C)(C)O)N/C(=C1\C=C(F)C=CC1=O)N2 2059586448 IXTQNANZDPZION-ARWOBHBRSA-N 442.491 2.028 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060620685 DLUGORKJWIVQKD-YHUYYLMFSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)=C[C@H]1O 2067765133 UUVDNUKPJHCLHD-KLHDSHLOSA-N 434.342 2.121 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124524767 WGPUVSCFOXTWNA-INIZCTEOSA-N 448.325 2.381 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247777993 VQCBZOSIGQCYKB-ZDUSSCGKSA-N 440.371 2.005 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247833923 NSYXXQPLYVBAPS-UHFFFAOYSA-N 437.371 2.381 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248405301 SOADDEZBCVMOGE-HNNXBMFYSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255537902 COWQXAPDWANKFZ-FPTDNZKUSA-N 429.326 2.120 30 10 IEEE Cc1c(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834937 ROFJCKDFYMOZPQ-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)n1 2267097127 MXEQPKWLKVEIKJ-UONOGXRCSA-N 448.329 2.305 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267127140 PKKCLVDDLMQGOK-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267136795 MNYBKVPTHMLGSO-CYBMUJFWSA-N 448.373 2.013 30 10 IEEE C[C@@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267187019 RTPBAEALWCOLNY-IEBWSBKVSA-N 438.381 2.454 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267273796 RGJLVHGPMCYXDZ-PKOBYXMFSA-N 436.365 2.274 30 10 IEEE Cn1ncc(C(=O)NCC[C@]2(C)CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267486684 NAGCXQBHLOUTRY-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267502119 JCTCORGBIKQIMR-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267502514 OWRXMTWZFQRQAT-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)n1 2267506401 XKRNTFBSJDNXHB-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315601757 IKVMOJDWYFOLPQ-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203187 UKLSCSJKZOUYLC-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@](NCCC#CBr)(C(=O)O)CO2 2349190868 HYGFLNYGAJTSRG-GOSISDBHSA-N 431.327 2.335 30 10 IEEE C[C@@H]1C[C@H]2[C@@H]3CC(F)(F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 4212688 QVTPFMPYKMLGGK-QPZANWORSA-N 428.447 2.141 30 10 IEEE CN(CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C(=O)c1ccccc1 31118323 OAXNXBCWIWZEFU-UHFFFAOYSA-N 434.475 2.286 30 10 IEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1 38884442 WFVCVHGVNRMOIT-UHFFFAOYSA-N 444.444 2.348 30 10 IEEE COc1cc(-c2c(C#N)c(SCC(N)=O)nc3c2CN(C)CC3)cc(OC)c1OC 40569824 VBYRTBOLBQJIOV-UHFFFAOYSA-N 428.514 2.211 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(F)c(F)c3)n[nH]2)cn1 59886866 YRIXCRDOFQFEOJ-IFRROFPPSA-N 436.448 2.103 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] 61599694 OZPAYXFIJAVNCT-UHFFFAOYSA-N 448.430 2.403 30 10 IEEE C=CCN(CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)Cc1cccc([N+](=O)[O-])c1 63297620 KUVAQPDHYZHRBJ-UHFFFAOYSA-N 432.502 2.486 30 10 IEEE O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 263631837 YZWCKPQXDRTWHX-QAPCUYQASA-N 430.507 2.259 30 10 IEEE CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)n1 427260450 MXWLIWQJULDXKC-CYBMUJFWSA-N 439.925 2.199 30 10 IEEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 430887587 FLPNSXKZWDFJMK-TVLQYADYSA-N 426.517 2.422 30 10 IEEE C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncc(Br)cn1 431914897 WOIILWPHSPTVGU-MLGOLLRUSA-N 443.305 2.272 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CCN1Cc1ccccc1 479064150 GQVVGIIAGHVORW-FGZHOGPDSA-N 435.503 2.346 30 10 IEEE CCOC(=O)CCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 482093688 HNSYTRGRWQRWAA-OAHLLOKOSA-N 429.498 2.359 30 10 IEEE CC(=O)Nc1ccc(OC[C@H](O)CN(C(C)C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489421371 FWGLYPCPWQTBKL-LJQANCHMSA-N 446.529 2.059 30 10 IEEE C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1 504554553 KRDVAXPVSCVBMY-QRWLVFNGSA-N 443.467 2.221 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 508889194 RCIGUCRBZOHPHG-SFHVURJKSA-N 431.924 2.097 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2nccc(OC)n2)CC1 508929358 ADKPGGQCYJJELB-UHFFFAOYSA-N 435.488 2.028 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(F)cc3)c2=O)CC1 522109875 DGXYATYEXWMPIZ-UHFFFAOYSA-N 425.529 2.188 30 10 IEEE N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 524624652 DGMBMMJIAJAYJF-MISYRCLQSA-N 447.557 2.417 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CC(S(=O)(=O)N4CCc5ccccc54)C3)CC2)c1 552143692 DIOXYDMNFMOSOE-UHFFFAOYSA-N 425.485 2.332 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1Cl 557849480 OSQQCIJMEMGVPY-LSDHHAIUSA-N 431.901 2.409 30 10 IEEE CN(C)C(=O)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 583824895 QMJONWZAONFLNH-UHFFFAOYSA-N 443.555 2.465 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccc(F)cc3)cc21 586311891 BJUNXFVYIYNOEV-PMERELPUSA-N 430.457 2.307 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(F)c1 586860257 YFFBXXNMWROJQA-UHFFFAOYSA-N 440.450 2.008 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2C[C@H]2CCCO2)cc1 619853169 KJRHNAVEXPVSKB-HKBOAZHASA-N 439.516 2.292 30 10 IEEE C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669806967 GQOHUJRCYTUKTE-SIKLNZKXSA-N 438.576 2.340 30 10 IEEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)s1 727814157 MTLZNEHPRJZMOA-UHFFFAOYSA-N 436.562 2.185 30 10 IEEE C#CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@H]1CCS(=O)(=O)C1 729331801 HFPSNJYBHMYALU-INIZCTEOSA-N 444.513 2.397 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 730563659 NALAKZPDPVOJFD-UHFFFAOYSA-N 435.546 2.331 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 734293781 MVCCYFIPSNHPEP-UHFFFAOYSA-N 438.914 2.332 30 10 IEEE COC(=O)[C@H](NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(C#N)cc1 739989492 JPKRYKUHOBNYBF-TZIWHRDSSA-N 443.525 2.019 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1ccc(Br)c(F)c1 748873201 XBOCBDSCFMZZCZ-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 749530663 PMJWSBWFTXHPAX-UHFFFAOYSA-N 441.491 2.281 30 10 IEEE CC(=O)Nc1ccc(O)c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 755166809 BOEDBPTUEZKVGT-FCDQGJHFSA-N 430.486 2.416 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cc2C1=O 761378993 UUWHMTIRCBPDAU-KDOFPFPSSA-N 443.500 2.223 30 10 IEEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)F)cc1 762493822 GKZFTWVKCVNABD-INIZCTEOSA-N 438.500 2.311 30 10 IEEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc(-n2cnnn2)cc1 765234288 UDXAMOSJASVTMZ-UHFFFAOYSA-N 436.247 2.073 30 10 IEEE C[C@H](/N=C1/S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1)c1cccs1 766425366 ZXENOKLTZNAWTD-MZZJXHJWSA-N 446.602 2.167 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1-c1ccccc1 772902662 VQLPFKUNPBIHJN-UHFFFAOYSA-N 438.512 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 782477054 FTJWLKKHASOQFE-IBGZPJMESA-N 428.533 2.249 30 10 IEEE C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H](O)c1ccc2c(c1)OCO2 787738200 SQAGXRTZQZRBLE-XOBRGWDASA-N 430.482 2.345 30 10 IEEE Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2=O)c(C)c1 788949625 HYNVZMXLELVCNP-INIZCTEOSA-N 428.470 2.476 30 10 IEEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)c1 796741165 BMXQVYOPKXNJSQ-FXAWDEMLSA-N 440.456 2.466 30 10 IEEE CN=c1scc(-c2cnn(C)n2)n1N=Cc1cc(OC)c(OCC(F)F)c(OC)c1 807916474 WNUMQHXOBLWBMR-UHFFFAOYSA-N 438.460 2.419 30 10 IEEE CCN1C(=O)C(=NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)c2ccccc21 807949119 DEIVWUUWRFBZLI-UHFFFAOYSA-N 435.303 2.286 30 10 IEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C)[C@H]1CCS(=O)(=O)C1 809821492 UJUGLQLPVXTBJT-LBPRGKRZSA-N 427.299 2.010 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)n1 856714183 WWCXRCILIUXALJ-ZHRRBRCNSA-N 427.480 2.065 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 1124620086 MYQMKFKIFGYDES-MRXNPFEDSA-N 436.559 2.490 30 10 IEEE COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1C 1127752915 BOCNYVVDHJTXOG-OAHLLOKOSA-N 445.472 2.455 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)NCCNc3ncccc3C#N)cc21 1136423918 BVFMVXFGJYMTHI-OAHLLOKOSA-N 425.493 2.351 30 10 IEEE CCOC(=O)C1=CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1166706634 ZUFURYVRUBSFKQ-INIZCTEOSA-N 433.530 2.054 30 10 IEEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)c1ccc(F)cc1 1190595633 RDWQUFCCEPPGQO-PCCBWWKXSA-N 446.500 2.455 30 10 IEEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CCO2)cc1 1192941040 DQMAFUAQDMCQIB-QGZVFWFLSA-N 440.930 2.377 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1)c1ccc(Br)cc1 1220108707 CDFPKWDSKJQTKI-MRXNPFEDSA-N 441.285 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCCc1ccccc1 1286273386 DTZIUJKIMMSOGB-NTKDMRAZSA-N 439.560 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)oc2ccccc12 1286421415 YAKUSXHDXQIPPJ-INIZCTEOSA-N 439.541 2.454 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286508470 RZJMOQZDJPNWQK-QGZVFWFLSA-N 432.619 2.305 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286607975 WSOOPODPGAWQSK-IBGZPJMESA-N 441.580 2.459 30 10 IEEE C=CCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1286704930 KBQAZLGQMBYLKH-FGZHOGPDSA-N 430.553 2.382 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1286742477 ZUUNJLVWQIPHDW-UHFFFAOYSA-N 445.527 2.249 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286788885 JNQVBCVKSHZCBA-GLDPYIMESA-N 439.560 2.252 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1286789439 SIASIGZZMOSOBF-LJQANCHMSA-N 426.540 2.375 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1287255599 HHYFPIBGWSURNT-LJQANCHMSA-N 428.562 2.335 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1ccc(C#N)o1 1288825899 NMOMYBZZDACYGN-SNVBAGLBSA-N 445.332 2.301 30 10 IEEE O=C(CN1CCCCS1(=O)=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1289424222 GYQJNZZWCPTOJD-IUCAKERBSA-N 444.344 2.041 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1 1289917245 KGFBWUDBERMOFX-UGKGYDQZSA-N 441.509 2.291 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H](O)CN1CCCCC1 1299614578 GPOGXUGPYXELFI-FPOVZHCZSA-N 442.560 2.356 30 10 IEEE C=CC[C@]1(C(=O)N2CC(N(CCOC)CCOC)C2)CCCN1C(=O)OC(C)(C)C 1300199269 NZDPTKWZFJHSGV-JOCHJYFZSA-N 425.570 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1300307394 FTPOGFRODPGBEF-WMZOPIPTSA-N 446.573 2.288 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300344890 KZWBKAUTWVNCAS-LJQANCHMSA-N 431.562 2.275 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1300408836 CTBOKNXRXHEXNJ-QGZVFWFLSA-N 437.591 2.031 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1300432556 XJSQEMBPAOORBS-XMMPIXPASA-N 439.560 2.193 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1 1300570050 XDGOQYNUXNHZFD-UHFFFAOYSA-N 443.559 2.260 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccco1 1300658417 DQJOEQQUTQKUAR-AOMKIAJQSA-N 439.472 2.095 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(OC)OC)c2)CC1 1300695454 BMTJRIGOQMOVLK-UHFFFAOYSA-N 432.528 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[C@H](O)C2)CC1 1300723454 UFUXIDHDLMZVKQ-ICSRJNTNSA-N 436.560 2.165 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301061334 SLLRWGKISOYQDG-DBVUQKKJSA-N 426.945 2.455 30 10 IEEE COCC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCC1 1301115930 CQDALEYJMGENEV-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1301151724 PVPDJPLGGYDBFK-MRXNPFEDSA-N 431.562 2.446 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301483702 UWEBGLUVVHUJJP-IBGZPJMESA-N 434.500 2.309 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](COc2ccccc2)C1 1301507216 ZHPOTZIEGBYKFS-IBGZPJMESA-N 432.528 2.471 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@@H](C)C2)C1 1301543626 NQEJPZWIOBZUAT-VIZSFHNOSA-N 433.597 2.443 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1301972047 USAQZAQSXWURNI-FQEVSTJZSA-N 427.526 2.330 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](O)Cc3cccc(Cl)c3)C2=O)cc1 1303285855 GGRWRDRUAKMRFY-MOPGFXCFSA-N 440.887 2.136 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1)C1CCOCC1 1309701901 MVSWVUSIKNCUFU-KRWDZBQOSA-N 429.498 2.049 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCOC2)C1 1340092163 ZEEZIPJVDHPZPK-UYAOXDASSA-N 439.564 2.270 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2Cc3ccccc3OC2=O)cc1 1354817049 HVQAELXVNSOTDK-FCDQGJHFSA-N 442.497 2.453 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCCN1CCCO[C@H](C)C1 1358954115 VHMZVTDNWJHXSV-LJQANCHMSA-N 427.549 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1358992165 CBUWOOISLVOPMG-ZWKOTPCHSA-N 442.564 2.241 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC(C)C)N(C)C)CC1 1359037506 LYOVAWCFUVRJEG-FQEVSTJZSA-N 429.638 2.365 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1 1359090054 UDEULATZDOHHEO-WOJBJXKFSA-N 430.597 2.273 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359292113 IKTYNEACEJWKCQ-TXPKVOOTSA-N 447.511 2.100 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1359311339 YBDNAPKEQKJRQR-ZVDOUQERSA-N 439.516 2.344 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1359318664 JMVCEZSYVULUBP-LEWJYISDSA-N 426.565 2.478 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCOCC1 1359470122 RCTPQUJOIBRYDI-GOSISDBHSA-N 440.548 2.425 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359812579 OLQXVBJUQPKWKB-KHOFPDMRSA-N 441.580 2.068 30 10 IEEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 1437973303 VJASWYUPNRORSE-FQEVSTJZSA-N 425.510 2.386 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1452941022 FQKBIOAEYWAMQA-RBUKOAKNSA-N 429.517 2.466 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(OCC(F)(F)F)nn1 1453166204 NKLCUECZFFHACN-UHFFFAOYSA-N 433.394 2.198 30 10 IEEE COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1471533582 AUMGOAWPOUPFOI-INIZCTEOSA-N 433.480 2.257 30 10 IEEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 1473869317 AZSSBUMZFZSONZ-GOSISDBHSA-N 437.562 2.290 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 1502354481 JJDUKQZQGUJORF-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1503552266 XCTKHZXILITRSO-SESVDKBCSA-N 441.532 2.131 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2nsnc2c1 1504965960 QHXWUFKFSPHEOH-BFUOFWGJSA-N 431.497 2.497 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1505316165 VXKYEXOHRQGPSE-IFXJQAMLSA-N 449.849 2.168 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1507539064 QSLWTYWFAQANHM-SJLPKXTDSA-N 438.557 2.087 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cnc2c(Cl)cnn2c1 1507546781 IEWSAXYRNBYTBZ-ZVZYQTTQSA-N 443.939 2.399 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1507622430 JCYXKXZIJVOQQO-GOSISDBHSA-N 445.589 2.434 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)cc1 1507712469 ZMWCXKZFZNQTAP-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CC)CCS(C)(=O)=O 1507802467 ATBJRCYVOBPIQY-QUCCMNQESA-N 433.578 2.116 30 10 IEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507968120 QEDSPEIUJAPJGW-SFHVURJKSA-N 430.553 2.295 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1508095259 USWAITAIOJIXID-GOSISDBHSA-N 442.539 2.363 30 10 IEEE COCCOC1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCOCC1 1521884342 LIPFDIBKGNFOAE-UHFFFAOYSA-N 427.295 2.028 30 10 IEEE Cn1nnc(Br)c1COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1526903042 DXUPKHSGLXVGAT-SNVBAGLBSA-N 438.669 2.199 30 10 IEEE Cc1cc(NC(=O)Cc2ccc(Br)cc2C#N)n([C@@H]2CCS(=O)(=O)C2)n1 1531800393 YVLLRTNPJQOWSR-OAHLLOKOSA-N 437.319 2.367 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1539120394 UORKEYJJXQYMNO-FQEVSTJZSA-N 436.560 2.346 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCCC2=O)cc1 1539201091 VVDJCVUWGJHHID-UNMCSNQZSA-N 437.544 2.242 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(OC)CCOC1 1539291167 NHJAWJXKTDWMCE-DEOSSOPVSA-N 435.528 2.416 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCC(C)C)CC1 1539873896 GJJSORGIOMHMJE-UZLBHIALSA-N 427.615 2.478 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 1540407181 JNJYGRPLQLXWDK-UHFFFAOYSA-N 435.303 2.043 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1540859728 CRHIPMOVSGJFBX-HNNXBMFYSA-N 443.939 2.490 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1540890946 MZEIYBMWFPFRNY-MOPGFXCFSA-N 446.573 2.210 30 10 IEEE CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1541016185 XNVNXEDEUBJPMV-HXUWFJFHSA-N 440.508 2.478 30 10 IEEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1544944257 YANAJIVNNUMQEL-AMGRQBIBSA-N 430.553 2.397 30 10 IEEE CCSCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1552618596 MEFWEWQUSRCKOP-UHFFFAOYSA-N 437.577 2.415 30 10 IEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1555521491 YRYKNHAIVBHMOW-NRFANRHFSA-N 449.563 2.218 30 10 IEEE COCCn1c(COc2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555567190 KOBMPHTXTBAVOR-UHFFFAOYSA-N 436.472 2.047 30 10 IEEE Cc1ccc(C(=O)N2CCC(c3nc(C4CCC4)no3)CC2)cc1S(=O)(=O)NCC#N 1557972580 ZZJAREDOUNGVBN-UHFFFAOYSA-N 443.529 2.467 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 1564940014 IAPGEYMPIQGMGE-SJORKVTESA-N 445.568 2.125 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)c1 1565246827 JWSYDEMXFZLCHY-GCJKJVERSA-N 434.496 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CCCN(C(N)=O)C1 1570021751 XYDITWSYQPYDJH-QFBILLFUSA-N 441.532 2.299 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1585100711 HYMDQKVLGJETLV-AEFFLSMTSA-N 432.569 2.434 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3COCCN3C(=O)OC(C)(C)C)n[nH]2)c1C 1586966971 FSNHRGHGRNAZNB-INIZCTEOSA-N 444.536 2.442 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1 1587403192 GIVULULDBGQHCG-ZBEGNZNMSA-N 427.404 2.459 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1587631743 FQGZICLDXWXWHQ-FYYLOGMGSA-N 436.604 2.448 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cnn(CC)c2)c1 1587692682 IFQWSQBNPWPAMY-LJQANCHMSA-N 433.516 2.103 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nnnn1CC1CC1 1588109679 LZJJSXQWAIADRN-UHFFFAOYSA-N 436.907 2.125 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC[C@@H](F)C1 1588124752 PYTHYZRTYULNAJ-DLBZAZTESA-N 428.537 2.449 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCCO 1588384894 CZFSOSGTHMWXJY-UHFFFAOYSA-N 435.569 2.251 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)NC(C)C)CC1 1588800597 KXTUDWLBLYPIQM-UHFFFAOYSA-N 433.560 2.107 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1589484620 UOJAPDPFUGWPJU-QPXQOZNCSA-N 447.580 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCOC 1589504717 JBUIATIDLPJTMS-QUCCMNQESA-N 438.536 2.375 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1593757926 QXIUHAZHUKEVJT-SFHVURJKSA-N 437.548 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1595530039 QODRMUGTZUHHOZ-KRWDZBQOSA-N 449.559 2.471 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1595530046 QPGCYAUYEHOFSG-HXUWFJFHSA-N 433.516 2.178 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1596984059 BBFUASFDZGJFQI-ROUUACIJSA-N 430.553 2.201 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1607718248 KGGKNWZHAZXNNS-UHFFFAOYSA-N 449.573 2.317 30 10 IEEE CN(C)c1nc(N)nc(COc2cccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)c2)n1 1611321928 SUHGXSXTKZSOKC-DHZHZOJOSA-N 436.447 2.459 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(c3ncc(C#N)cc3Br)C2)nn1 1612807510 UWEJJDBHSQVMTL-UHFFFAOYSA-N 434.298 2.393 30 10 IEEE COC1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1619481191 SXMZNHGUDORNDT-UHFFFAOYSA-N 429.546 2.257 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1619860535 OCAVWRLIFAJBDO-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1619914705 UUGXBIKDIBKTEG-OFNKIYASSA-N 441.532 2.254 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cccc(C)c1 1619980473 KBOZPGNRIPOFIU-SFHVURJKSA-N 440.548 2.481 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCC(=O)NCc2ccccc2)CCO1 1620355644 LWLWOBJOEOCASI-IBGZPJMESA-N 436.541 2.366 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)c(C#N)cn1CCOC 1623540380 BIEPOAZJCHVHKZ-YJBOKZPZSA-N 428.489 2.296 30 10 IEEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OCC 1624303697 LKRGEVKGCNCRFG-SFHVURJKSA-N 444.500 2.380 30 10 IEEE Cn1cc(C(=O)NCc2cc(F)c(C#N)c(F)c2)c(CN2C(=O)c3ccccc3C2=O)n1 1639271588 RFCONMWLNKIOFD-UHFFFAOYSA-N 435.390 2.296 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)c1 1641342085 OTHABUQNRVZIGF-UHFFFAOYSA-N 428.514 2.001 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N(CCS(=O)(=O)c1ccc(C#N)cn1)C2 1644244014 YVBUQWDGPCOXJK-KBAYOESNSA-N 434.562 2.352 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2cccc(C(F)(F)F)c2)c1=O 1656778680 JSRLANRBDGREIH-UHFFFAOYSA-N 437.374 2.125 30 10 IEEE COC[C@]1(C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 1659652810 XZHKOZWAQCHRMJ-SBUREZEXSA-N 430.549 2.093 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)c1ccc(Br)cc1 1663553135 FYEHEKXJLOURBA-MRXNPFEDSA-N 443.344 2.010 30 10 IEEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2ccsc2C#N)CC1 1681968644 BZMPOJPMMBOHES-INIZCTEOSA-N 447.586 2.208 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[C@@H]3Cc3ccccc3)CC2)cc1 1685764701 VMTUYTPBOCUFPL-SFTDATJTSA-N 438.553 2.453 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1686634258 OQSKQHOIORRLRZ-HXUWFJFHSA-N 436.597 2.389 30 10 IEEE CC(C)O[C@]1(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCOC1 1687682693 VWJJQJQCDXXCKW-QFIPXVFZSA-N 444.511 2.281 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1689830963 DXNRNGSRWWIVLD-ZFGGDYGUSA-N 446.640 2.050 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1689867814 YETONDLABMYHHU-CVEARBPZSA-N 439.582 2.243 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689979811 HVBOXQYJBIEHQS-QZTJIDSGSA-N 440.573 2.468 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1CCCO 1690089458 BGGGLJKBBIWNRH-OAQYLSRUSA-N 449.534 2.361 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)N(C)C)C1 1690696899 KSUWHFXKXGNZQC-FQEVSTJZSA-N 435.532 2.390 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1690745074 XJWQFTHKRXJDFK-QGZVFWFLSA-N 428.624 2.088 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCOCCS(C)(=O)=O 1690999433 IKRQPJUMHIUBHU-CQSZACIVSA-N 425.942 2.256 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1695067942 AGJQZKWBQHSCMD-WIYYLYMNSA-N 431.562 2.381 30 10 IEEE CCOCc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)cc1 1696235911 UBUNELUKMXPTNH-HBMCJLEFSA-N 441.532 2.316 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1)C(F)(F)F 1697134681 VLDCYFYNKZZMPP-HOTGVXAUSA-N 436.438 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)CCC)cc1 1705477956 URPOFJFLFKIRHM-HOTGVXAUSA-N 446.577 2.133 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1705552348 XZVGBCMKSZDTMB-GOSISDBHSA-N 441.557 2.037 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1705602554 ZLTPFNHHXSOXOI-SFHVURJKSA-N 442.564 2.338 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705630102 GXJJDFIHWVIUFE-BGYRXZFFSA-N 444.624 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OC)c(Br)c2)CC1 1705645386 SCCIGJWIDBOVIB-UHFFFAOYSA-N 446.349 2.372 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O 1705677067 ACWMMSCNLLHQTM-JOCHJYFZSA-N 443.573 2.193 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705709755 SBOJUCBGODKIBU-IPJJNNNSSA-N 433.597 2.485 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1705737136 KQBZHIPHYYVYQB-APWZRJJASA-N 427.505 2.085 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705903541 XRZYDKYHFMWOEV-AOMKIAJQSA-N 430.553 2.341 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1706072240 ARDDAAGJCGTITF-HNNXBMFYSA-N 430.534 2.083 30 10 IEEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1706650076 YNTRPXQXNSXMHS-HXUWFJFHSA-N 437.548 2.243 30 10 IEEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1707639188 ATULKEJIKXOCBJ-MRXNPFEDSA-N 448.618 2.228 30 10 IEEE CCCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1709673479 SKISSZIYEIZVRZ-SFHVURJKSA-N 446.939 2.407 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS1 1712536938 IOKVLTIQGMWWKJ-YOEHRIQHSA-N 444.561 2.433 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722434390 PBBBXXDSVKICHO-KRWDZBQOSA-N 447.992 2.179 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2csc(COC)n2)CC1 1722439117 PGZZHBYWHKUEEK-UHFFFAOYSA-N 440.548 2.414 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(OC)CCCCC2)CC1 1722447685 LYFKCKGFSRUTPO-FQEVSTJZSA-N 443.592 2.487 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722591448 IQCNNVDZACVWOD-UHFFFAOYSA-N 434.548 2.453 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722628250 UZESIKYDKPAKBG-SJORKVTESA-N 445.593 2.162 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1722728570 RRVPXFBNHMGTKB-NRFANRHFSA-N 436.553 2.314 30 10 IEEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1727333340 HSCDUMSTPLYMPC-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)C1 1729777125 AZZDINRKSQWKAY-INIZCTEOSA-N 438.513 2.427 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2)c1 1730994061 ALGPOHMSIPNFJO-IRXDYDNUSA-N 447.586 2.363 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740582577 OZPIDCVNLXOCQO-SFHVURJKSA-N 442.541 2.002 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740592777 HVQZBVXJFAZEND-UHFFFAOYSA-N 445.589 2.199 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740620466 WRNIMAXPHQAQPM-GHTZIAJQSA-N 448.976 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1740631454 SMADPOZMJCPMLH-QGZVFWFLSA-N 438.557 2.108 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1)N1CCOCC1 1740682860 LQNZDIPURNSBHK-QHCPKHFHSA-N 448.571 2.443 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1740716746 YHQPXXZDYIAXRY-WOJBJXKFSA-N 438.601 2.306 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1740722806 FNARSYWGSDUCFK-JOCHJYFZSA-N 430.553 2.275 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740747038 WJTJJZRZYGBBAL-UHFFFAOYSA-N 447.362 2.495 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740852077 IFMFXPZDFHCCTI-XXBNENTESA-N 449.596 2.262 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1740932341 LXXINUYDZIPIOP-KRWDZBQOSA-N 437.591 2.208 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740950872 LACRBYLHYXMMPA-HKUYNNGSSA-N 443.552 2.012 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1740976585 LELSODLXNAWXGA-QZTJIDSGSA-N 431.562 2.255 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CCCC2)C1 1740977806 YSAYROYKWLCPSL-KRWDZBQOSA-N 433.578 2.422 30 10 IEEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1741005702 OPDDSOZGKAPCCK-GOSISDBHSA-N 431.562 2.036 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cc(C)oc1C 1744096260 BWFNWKZGFFIHOE-VGSWGCGISA-N 444.536 2.043 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSCc2ccccc2F)cn1 1748013556 NQVVXFHNQZWMJK-QGZVFWFLSA-N 427.509 2.480 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1nnc(C)s1 1748104600 AJBFEWAMZZTEJH-CQSZACIVSA-N 438.561 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748643556 WXGYDIHFACDMSX-VAWZGJIGSA-N 433.597 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748679311 AZKMVWZUYFRBDH-RBBKRZOGSA-N 436.604 2.464 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1748726164 BXSCZBUEWZZKFC-UHFFFAOYSA-N 449.552 2.318 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1748809123 QIEJOKNZGOKFHZ-AWEZNQCLSA-N 428.461 2.103 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748818311 YVSLIZQXECLONU-GJZGRUSLSA-N 434.484 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2F)C1 1748888362 UPKFEXXQGYVFCI-AZUAARDMSA-N 434.519 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1cnn(-c2ccccc2)c1 1748900231 AGILODIIMPVCRZ-UHFFFAOYSA-N 441.539 2.292 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748956126 JZGXDKMRYWCIQK-LJQANCHMSA-N 447.543 2.095 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1749024455 QXIBWZAPQVHZAP-JOCHJYFZSA-N 444.557 2.324 30 10 IEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749232598 QGFFCGJHZHKNAL-LJQANCHMSA-N 445.589 2.351 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749634774 KGZAFJYMDNXFPA-OXJNMPFZSA-N 443.621 2.199 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1760098172 PMCUIPXMCFEIBH-JKSUJKDBSA-N 433.578 2.333 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCN(C(C)=O)CC1 1760166582 JQLSIQMVFNSRKK-UHFFFAOYSA-N 435.359 2.485 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760168096 NWOKSFVNXQXLQJ-OALUTQOASA-N 437.523 2.369 30 10 IEEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760173948 FWNDZLGRYJGFSM-HSZRJFAPSA-N 430.556 2.338 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NC1CCCCC1 1760205501 CIKHRKDELYSEQR-NRFANRHFSA-N 433.512 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1 1760223728 JXXDMZOSAZFHMP-UHFFFAOYSA-N 434.569 2.240 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C2CC2)N(C)C)CC1 1760264524 RGUSEWMFMZDDRD-HXUWFJFHSA-N 426.540 2.092 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1760283912 CNQGCSOSXBSERL-LJQANCHMSA-N 427.574 2.349 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760345314 STIINUWMJGPCNM-SJORKVTESA-N 427.484 2.345 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1760360998 DCTCKEAZQXPLSX-SFHVURJKSA-N 441.532 2.269 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)CC1 1760397610 YKTFCYGHTOCKSL-CQSZACIVSA-N 433.534 2.068 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760429752 OFGQFGMMBBFOGX-NRFANRHFSA-N 428.562 2.342 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@H]1C 1760478228 ABKUZFOKPZCJCO-SBUREZEXSA-N 438.532 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(O)cc2)CC1 1760549066 VQNNGQXLLRPLIV-KRWDZBQOSA-N 433.578 2.425 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760559716 SAPJCWNFTMRIFN-GOSISDBHSA-N 446.625 2.460 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760566909 JHBCTUQFQSTFCQ-UHFFFAOYSA-N 439.582 2.009 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760567420 ZWJILPOKVZNTDN-QGZVFWFLSA-N 436.603 2.420 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1763081560 IDCCSVNLRKRFCE-RLBWVDARSA-N 449.540 2.285 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1769876614 BIIZKURHOMKEED-LSDHHAIUSA-N 431.928 2.084 30 10 IEEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)CC1 1849729605 YQYQKBRUYHRISM-QFIPXVFZSA-N 444.601 2.456 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CC[C@H](N(C)Cc4cnn(CC(C)C)c4)C3)cnc2c1C#N 1851755499 WPLUYZBZGMPKFK-IBGZPJMESA-N 434.548 2.417 30 10 IEEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H](C(C)C)N2CCS(=O)(=O)CC2)c1C 1851858765 MAKSANMDEQLNOC-LJQANCHMSA-N 429.546 2.054 30 10 IEEE N#Cc1cnn(-c2cccc(Cl)n2)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1852069220 RLXIVIQHSKDQGX-HZPDHXFCSA-N 440.891 2.172 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3C2)C(=O)C12CCCCC2 1854401112 LCFDUMOPSKNHDS-IBGZPJMESA-N 429.542 2.019 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CSCc2ccccc2)C1)[C@H]1CCN(C)C1=O 1857056403 MTCZSTMXAMYLOQ-PMACEKPBSA-N 429.586 2.404 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C(=O)O 1862415243 SGLMGWTZMUHGQK-SFHVURJKSA-N 444.390 2.377 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(C)c1 1862604582 FLPUBFOQINCBCP-NRFANRHFSA-N 436.464 2.481 30 10 IEEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866025397 YFIVZHROUCTDLF-UHFFFAOYSA-N 434.343 2.026 30 10 IEEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870141765 JMPIGXPFZLXKLM-UHFFFAOYSA-N 440.341 2.392 30 10 IEEE Cc1c(C(=O)Nc2c(C#N)nnn2-c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870156077 UQCMMIJAQONDGL-UHFFFAOYSA-N 433.344 2.392 30 10 IEEE N#Cc1ccc(COc2cn(CCc3cnc[nH]3)c(CN3CCC(CO)CC3)cc2=O)cc1 1870349660 XNVGNRXVTNLOBC-UHFFFAOYSA-N 447.539 2.469 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C[C@@H]2COCC[C@@H]21 1886248092 CAMVXOATADJTEN-CPUCHLNUSA-N 430.457 2.403 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)CCN1Cc1ccccc1 1914763471 KSIZKRPTHAOSRO-ZLNRFVROSA-N 432.524 2.341 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(CCN=C2CN(C(=O)OC(C)(C)C)CCN2)CC1 1980208797 XVRXYLGPVATMKY-UHFFFAOYSA-N 425.574 2.168 30 10 IEEE C=CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)C(=O)OC(C)(C)C 1985007932 SASDRXFTKAUUDZ-HOTGVXAUSA-N 427.542 2.144 30 10 IEEE C=CCN(CCC(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985017310 KZCSZGBHEPGHMT-HZPDHXFCSA-N 427.542 2.286 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(I)cn1 1985068308 ZSRCZZGFZOOPPK-SNVBAGLBSA-N 430.246 2.326 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987518841 LRDZEJNZWWWVGH-ARFHVFGLSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060624244 WLCQHPCCUVPYIP-RJFIQZMRSA-N 436.358 2.299 30 10 IEEE CN(CC1COCCOC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2188042273 YVEDWEJKHANGFY-UHFFFAOYSA-N 427.148 2.243 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2247835714 PGVPMHXIAIOXSR-QWHCGFSZSA-N 435.355 2.276 30 10 IEEE C=C(CS(=O)(=O)N[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247901360 JLPCJEHNUHTGHD-QRWLVFNGSA-N 442.387 2.493 30 10 IEEE Cc1nc(=NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c(C#N)c[nH]1 2250349046 HHGLZPGCTYSJIM-UHFFFAOYSA-N 432.525 2.347 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825499 AJZFKXJWDOXUMZ-CYBMUJFWSA-N 434.346 2.036 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255831797 BPEAEMCFYBNDTD-UONOGXRCSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255953051 CFWBTPCHTFIIEO-GASCZTMLSA-N 432.326 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CCNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256035678 PEATZEKILVHIHI-UHFFFAOYSA-N 433.358 2.352 30 10 IEEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256624322 VIGITOLRXHQNSL-OAHLLOKOSA-N 435.330 2.249 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999480 YCZHOSRGBFIORP-LJQANCHMSA-N 439.365 2.441 30 10 IEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007451 ZCKTUVUWIMRZDV-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267093553 VSJXDQPYHQVQAY-UKRRQHHQSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267093554 VSJXDQPYHQVQAY-ZFWWWQNUSA-N 448.373 2.378 30 10 IEEE Cn1nc(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267120808 PFHREIORFXLIMB-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267135492 DDZWAWYPGHHMHS-SHTZXODSSA-N 448.373 2.061 30 10 IEEE Cc1ccnc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267155855 ZRVMMKGEKJKMBV-GJZGRUSLSA-N 443.353 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2267167351 FGLMALVZUDQJTR-OAHLLOKOSA-N 446.357 2.294 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267495238 YXQCPDAOKRXIET-PKOBYXMFSA-N 438.381 2.217 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2267502891 VBDBFHGNBSLWLR-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1 2267529165 XQRGMYBVMUAIMB-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267536228 BBTAHFZTCAEYSW-HZPDHXFCSA-N 448.373 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2267595888 YEXULROLZLTCFK-ROUUACIJSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872521 JNNFFOHTMMUIQC-HUUCEWRRSA-N 446.357 2.342 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268633979 VKMDIYQDRIRDKE-KSSFIOAISA-N 446.353 2.102 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2269707465 NRQNTKPCUPBYJZ-SFHVURJKSA-N 440.305 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)=C[C@@H]1O 2310624658 UUVDNUKPJHCLHD-JONQDZQNSA-N 434.342 2.121 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1O 2329012436 XKTSSNIEOZXWFK-MRXNPFEDSA-N 444.561 2.209 30 10 IEEE CCOc1c(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cccc1OC 2329056277 XZPQCKUCMNRUDU-MRXNPFEDSA-N 447.561 2.376 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2337298672 JLCKTPVZVOQRJW-KGLIPLIRSA-N 448.373 2.141 30 10 IEEE N#Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 12031948 WRVQRSVBLZXTAI-CQSZACIVSA-N 438.914 2.425 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1C 103109008 XIBWHNFFLBYBGX-KCGBVJQISA-N 431.514 2.463 30 10 IEEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccccc1OC 248253180 QVHQHDWBABSIHJ-PDFGSZSQSA-N 432.476 2.030 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc21 427342154 LQGMZNDTLMERTF-UHFFFAOYSA-N 445.479 2.250 30 10 IEEE Cc1noc(CN2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2)n1 500243923 DTCYXXDCIHKNGN-UHFFFAOYSA-N 433.516 2.414 30 10 IEEE CCOC(=O)c1cnn(C2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 510604415 YHNRBKHFZWPTCS-UHFFFAOYSA-N 430.530 2.351 30 10 IEEE C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513784791 ZFIAULJFSQOHCC-FQEVSTJZSA-N 449.435 2.401 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 520239456 GUQOGGXLSFHGBR-MRXNPFEDSA-N 445.589 2.078 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1Cc1ccon1 532449174 LPQSNFOCVZKQGW-UHFFFAOYSA-N 442.500 2.367 30 10 IEEE CC(C)C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 537453555 BIYADNLCJCDVGU-MOPGFXCFSA-N 434.562 2.168 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(I)c(O)c2)CC1 545491249 FIBLHNOJPFHPCM-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 549290240 KVLDJEOFKGRLIV-HXUWFJFHSA-N 425.533 2.475 30 10 IEEE COCCOc1ccccc1N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 549796777 IPNYGTGKUPZKND-UHFFFAOYSA-N 429.542 2.179 30 10 IEEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 553644463 IGPRKBMHLQQJFX-IBGZPJMESA-N 443.953 2.305 30 10 IEEE CCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cc(OC)cc(C)n2)c1=O 558039826 ISXPIDNEFBFENK-UHFFFAOYSA-N 434.521 2.174 30 10 IEEE N#Cc1cccc(C(=O)c2ccc3c(c2)C(=O)N(CCCC(=O)NC2CCNCC2)C3=O)c1 585831099 OQKNWMUNYZTSFD-UHFFFAOYSA-N 444.491 2.034 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 586863475 NZIPFCFQCYEIEY-UHFFFAOYSA-N 426.404 2.292 30 10 IEEE CCCn1cc(C=Nn2c(-c3ccc(O)c(C(N)=O)c3)csc2=N[C@H](C)COC)cn1 734976944 WBPLUBZEVHEAQY-CQSZACIVSA-N 442.545 2.445 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)cn1 735068392 IKDSCOBCTYQPFJ-UHFFFAOYSA-N 447.564 2.026 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]2CCCO2)c1=O 743728032 FSWZZAHBCWOVLW-AWEZNQCLSA-N 431.583 2.362 30 10 IEEE COc1ccc(COC(=O)[C@H](CO)NC(=O)c2cccc(Br)c2)cc1C#N 747037438 JYCXBZNOLXFWHI-INIZCTEOSA-N 433.258 2.163 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 750961728 LTKSYNXSQNNTNS-AVRWGWEMSA-N 445.523 2.231 30 10 IEEE C#CCCN1CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 755282545 PPTUGQVWNOOKQD-OAHLLOKOSA-N 427.364 2.026 30 10 IEEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766418125 YEKXYRDTTPEHHH-IBGZPJMESA-N 440.573 2.239 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1Br 767951930 DPRHKOCRGZAGKG-HNNXBMFYSA-N 430.327 2.186 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 772451565 MNZCDXKYWHWECZ-INIZCTEOSA-N 442.356 2.413 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccccc1)[C@@H]1CCOC1 772871983 KLJNKRYRNOPAHQ-DYESRHJHSA-N 427.526 2.399 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 777756061 VGESSLBMZIJEJB-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CCN1Cc1ccccc1 779938148 CXMDNQVKOYSPBN-RCZVLFRGSA-N 448.523 2.308 30 10 IEEE C=CCOCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 780045956 GPSYZIVQEDTRKF-ZWKOTPCHSA-N 438.569 2.126 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(N)cccc1I 780278690 UOPAWXTYANPMOQ-QLJPJBMISA-N 429.258 2.473 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)OC)c(Br)cc1C)[C@H]1CCS(=O)(=O)C1 806741310 ZFTUZHWVTDBQLA-LBPRGKRZSA-N 443.319 2.198 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(OC)c(OC)c1C 807915647 FUMZWMZZZUURME-ZDUSSCGKSA-N 430.534 2.489 30 10 IEEE C=CCNS(=O)(=O)c1ccc(Cc2nc(CCNC(=O)OC(C)(C)C)no2)s1 904767205 REZLQSVGDUUGME-UHFFFAOYSA-N 428.536 2.253 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1occc1CS(=O)(=O)c1ccccc1 916775076 JWBHANUQDOADNU-UHFFFAOYSA-N 444.490 2.385 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)s3)CC2)cc1OC 1130051424 MDPPAPDVRBXUDJ-UHFFFAOYSA-N 449.554 2.354 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1132315280 GVXAJOXAIISFMC-QFIPXVFZSA-N 438.553 2.369 30 10 IEEE CCN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 1136395287 GRHXBSDWCPQNEN-CYBMUJFWSA-N 448.932 2.199 30 10 IEEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1141459145 UTGGTUZHIRSYGJ-OALUTQOASA-N 449.596 2.119 30 10 IEEE CN(CCCC(=O)N1CC(Nc2cccc(C#N)c2)C1)C1=NS(=O)(=O)c2ccccc21 1149468620 BEORYQACCLPROJ-UHFFFAOYSA-N 437.525 2.042 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3C[C@@H](N4CCOCC4)C3(C)C)C2)C1 1164314469 SYRAOTFIBVGXFG-FOOPNOAWSA-N 446.592 2.389 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)nc1 1171545339 RNJDMADWAODFOY-GOSISDBHSA-N 444.532 2.285 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](CC(F)(F)F)C2)CC1 1174770818 HYBQZTHGPUYZAQ-ROUUACIJSA-N 428.430 2.188 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1194899413 RMTOTSYTOGRBDR-RADWXHQJSA-N 447.584 2.383 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)CC1 1206329739 SXJKRIKMSSFNSI-UHFFFAOYSA-N 426.286 2.417 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286335959 GDJTZTRPSGHWAV-KRWDZBQOSA-N 430.553 2.307 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286351968 WEFXZVFZDCFDRD-NRFANRHFSA-N 438.551 2.164 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1286391808 GLSGPICLVFLORC-IBGZPJMESA-N 442.589 2.072 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1286394451 ORGATOVDPGAXTO-FXAWDEMLSA-N 430.574 2.205 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C)n(C)c1=O 1286467092 QOCPYIJRSKEQFL-UHFFFAOYSA-N 441.482 2.289 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(-n3ccnc3C)nc2)n1 1286468959 BIPBRJSQCTZPMQ-UHFFFAOYSA-N 445.531 2.007 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1286481538 FBXYDMBMZHBAJM-OAQYLSRUSA-N 435.601 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286489203 JPTWXELEKHNJRB-SFHVURJKSA-N 429.471 2.335 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286547129 NHEPTDZDFSOUBR-KSZLIROESA-N 425.599 2.148 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286607814 VMYZCVGROFWHBD-UHFFFAOYSA-N 440.577 2.415 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286670843 LNMKVMFPRHKORJ-IBGZPJMESA-N 432.613 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](N4CCOCC4)CC3)C2)C1 1297753398 LXVBFRLWJSZVMK-PGPPMQCXSA-N 446.592 2.487 30 10 IEEE COc1cc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)ccc1OCCO 1299889112 LOIZWLFWVRQKJI-LJQANCHMSA-N 427.505 2.298 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(C)cn1 1300317734 UGDQBHKDZZMIOY-QFIPXVFZSA-N 446.603 2.306 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300497766 DEXOFSHWKZFZRW-ICSRJNTNSA-N 448.564 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC(C)C)nc2)CC1 1300729022 LNUXGSGLBHRCRM-UHFFFAOYSA-N 436.560 2.427 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1300856402 DBMMSNXSCOTHDZ-UHFFFAOYSA-N 425.375 2.230 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1300948081 BXMSPOLFKCEJPG-QGZVFWFLSA-N 426.521 2.103 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1300992102 UEJMCKJJLSTOHJ-QGZVFWFLSA-N 438.532 2.257 30 10 IEEE C=CCCCCn1c(COCC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1301198333 HGJQVBRVDTXPMH-QGZVFWFLSA-N 425.541 2.324 30 10 IEEE COCC1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301304250 MCWZOHJMCRLBJO-XUTLUUPISA-N 440.504 2.236 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1301379300 FVVJTKMGZFDSLY-HKBQPEDESA-N 438.561 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1301500946 RQCWDQHPRFFAPK-QZTJIDSGSA-N 441.532 2.443 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1301527578 YVDSNPDPIGGBMJ-ICSRJNTNSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301576505 WETNINIGQALSMH-PMACEKPBSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC[C@H]1C 1301576569 DWKSSFKZFJCLGP-CQSZACIVSA-N 440.953 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1301585911 HCIILJJDYFTSOA-UHFFFAOYSA-N 432.546 2.239 30 10 IEEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1307046489 ZORHXEXWYHQECE-HXUWFJFHSA-N 448.637 2.432 30 10 IEEE CN(CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1314850646 LNAGCLULXLQKRV-IRXDYDNUSA-N 434.541 2.158 30 10 IEEE CCOC(=O)c1c(NC(=O)Cc2ccccc2S(=O)(=O)CC)c(C#N)cn1CCOC 1350397362 APVRWYSOYNCRRE-UHFFFAOYSA-N 447.513 2.158 30 10 IEEE CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1356550842 JTZITAAYNJWDQA-MRXNPFEDSA-N 442.541 2.337 30 10 IEEE Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1358084783 OOLTZQRNAGKGOR-OQKWZONESA-N 448.505 2.331 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CCOC)CC1 1358877063 WHDBWNJGFCQUSO-QGZVFWFLSA-N 445.589 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ncccc1N(C)C 1359021339 LHFUIWPOJZBBBM-UHFFFAOYSA-N 434.500 2.269 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCO2 1359023334 HLLMDTTVCSMIRV-KRWDZBQOSA-N 439.516 2.022 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359058558 HYRFMZOIFWAJAO-UHFFFAOYSA-N 442.564 2.368 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1359106265 ZMZICRVLKXMUDR-GREBRCKQSA-N 449.596 2.261 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1359262368 QYYKCELKPBBOSA-CQSZACIVSA-N 425.580 2.057 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CC(C)C)C1 1359303886 DKTHYHQFPKIXEZ-INIZCTEOSA-N 430.578 2.444 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1440682242 HWYLHVMJXFBTGK-SELNLUPBSA-N 446.523 2.295 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c1 1441043156 BXWSWAUNOBDXMM-UHFFFAOYSA-N 447.463 2.250 30 10 IEEE O=C1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc2N1 1452405108 VRJUXCIGJKGSLZ-UHFFFAOYSA-N 440.525 2.266 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 1452991145 MABAWMKVVMBZPT-HNAYVOBHSA-N 429.498 2.198 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cccc(C(=O)OCC)c3[nH]2)c1 1456989829 HTMBFAPJIJXXSP-UHFFFAOYSA-N 428.470 2.456 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 1459840574 MIBCQQXQLYLQNV-GOSISDBHSA-N 443.301 2.237 30 10 IEEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466047749 NTMQFBCAJTWPJB-FNKIUMDLSA-N 449.548 2.342 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)ccc1F 1469898075 LEKLYEMEZIHUAC-UHFFFAOYSA-N 446.548 2.327 30 10 IEEE COc1cc(OC)cc([C@H](O)CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1475004805 ASSSNNYZCBTDTE-QGZVFWFLSA-N 441.303 2.350 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)nnn2C 1475195617 NYMWICPXEQVXJT-FQEVSTJZSA-N 428.514 2.319 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccc(Br)cc1 1478895518 CXHDAOPGDBVUNC-CJNGLKHVSA-N 428.352 2.094 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1501190559 GKHABBLCMPUDOL-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1503785467 CTONPFFSEIEVAA-IBGZPJMESA-N 449.559 2.084 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507593526 REHOTSJOCZOYDI-UHFFFAOYSA-N 436.541 2.418 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)CC1 1507716925 WKJJHJOYHJYHAN-UHFFFAOYSA-N 447.518 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507733858 MYNPSSNOKRIOMF-UHFFFAOYSA-N 444.624 2.257 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC)C1)c1ccccc1 1507853144 ANHPALZUSVGAEV-LJQANCHMSA-N 434.500 2.490 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507855520 WTWCXGSNGWOKMC-AEFFLSMTSA-N 439.004 2.496 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1507982297 LZNBOZIONHKTBL-CQSZACIVSA-N 442.488 2.461 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1508023980 GBUGXTBALXJRFN-XUVXKRRUSA-N 425.533 2.004 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508086012 WQZMZMUBCJSIQT-CQSZACIVSA-N 442.511 2.305 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCOCC1 1508134849 WQSSYGHWSRIUCX-UHFFFAOYSA-N 441.351 2.145 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1508147989 OVYYDZHWWAKCSY-HRAATJIYSA-N 444.561 2.229 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513087139 BSACZIWFUQUOOE-KYHLANTJSA-N 428.537 2.037 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1519506340 GTMALWVXSPIWMG-YLJYHZDGSA-N 433.509 2.413 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)CC2=O)cc1 1522867725 GHIHCOMLSFKMMR-MRXNPFEDSA-N 443.467 2.397 30 10 IEEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccccc1 1526565214 KBQHAIJZHAVFHR-DLBZAZTESA-N 430.482 2.100 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)cc1 1530262625 FSWXWKIJCCBVKR-RTWAWAEBSA-N 430.574 2.092 30 10 IEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OCC 1533747257 XEQCQFUGKBQUQL-SFHVURJKSA-N 444.500 2.380 30 10 IEEE C=CCN(C(=O)c1cc(Br)nc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1537473926 ISNNOTWFUAXQNE-SNVBAGLBSA-N 438.141 2.422 30 10 IEEE C#CCN(c1nnc(C)n1Cc1coc(-c2ccc(C)cc2)n1)[C@H]1CCS(=O)(=O)C1 1539204675 BIXIMZNDCONHSP-IBGZPJMESA-N 425.514 2.225 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCCn1cc(CO)nn1 1539389762 CFCCESUOKSCVQD-UHFFFAOYSA-N 448.506 2.237 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1539538811 NRIPXQQMYQRUQP-IUODEOHRSA-N 439.529 2.176 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539621590 RQMGEGMXDPUDPG-AVRDEDQJSA-N 442.539 2.468 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539640527 IONMUARLIUFWQQ-RXVVDRJESA-N 440.548 2.153 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1539759096 PQAXQBPHSUGALO-UHFFFAOYSA-N 429.496 2.400 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N(CCO)CCOCC(F)(F)F 1540858499 ZIOPIHBDDCYTSI-MRXNPFEDSA-N 428.411 2.354 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1540901121 SZMYMUYDDULXBX-UHFFFAOYSA-N 442.501 2.345 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540912704 BABPEWKPPUPEAF-UHFFFAOYSA-N 449.540 2.387 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1554704910 KQSWAGIRJDGCRK-LJQANCHMSA-N 427.505 2.149 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)C(=O)OC 1556971240 SYBDOVZXNSSDRJ-OAHLLOKOSA-N 425.441 2.108 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1560056654 QOAZQUBBGBYJRF-XMMPIXPASA-N 437.519 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cc(OC)c(OCC)c(OC)c1 1588120984 VNQHZFNSIWLLCP-UHFFFAOYSA-N 434.500 2.216 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCOC2)n1 1588724054 TUUZMICQJZPDHQ-FPOVZHCZSA-N 442.564 2.429 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 1588750779 FORDVLANTYTYKM-XLIONFOSSA-N 445.951 2.242 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1588976381 WGCFRQFFOFQLHR-MRXNPFEDSA-N 427.640 2.408 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C 1589581218 QMJDXEHBDPEBMA-APWZRJJASA-N 427.553 2.144 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1595421513 LZWSVBGOFXZJJN-UHFFFAOYSA-N 426.506 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1595490324 PTYTZENYFUWXNC-MRXNPFEDSA-N 443.895 2.170 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1595723140 RXLQSUTYBVAAPD-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C#CCN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1596147361 RFKKPWCCXROWPJ-QGZVFWFLSA-N 443.548 2.024 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2=O)cc1 1596684440 MPHYULIJCXDFPU-KRWDZBQOSA-N 440.450 2.342 30 10 IEEE N#CCCN(C(=O)CCC(=O)N[C@@H]1CCN(c2cnnc(O)c2Cl)C1)c1ccccc1 1606641005 IAVPAYHYBZNQSR-OAHLLOKOSA-N 442.907 2.258 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1613030676 GPZPLISVUQMIBJ-AAGDERGWSA-N 429.496 2.453 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1613594279 FRHKQQRAAQBARM-JENIJYKNSA-N 431.585 2.046 30 10 IEEE C[S@@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1620180182 QWVHATXIBHOOGS-WJOKGBTCSA-N 441.605 2.371 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCSCC(F)(F)F)CCN1C1CC1 1620356338 WYWVUVQQUHOODZ-ZFWWWQNUSA-N 430.500 2.254 30 10 IEEE COc1ccc(F)cc1CN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1623328335 QLIVSUGDKOINDB-UHFFFAOYSA-N 449.479 2.229 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(OCC)c(Br)c1)c1cc[nH]n1 1625712067 IXSJCWPGMWINTG-UHFFFAOYSA-N 439.266 2.493 30 10 IEEE C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1C(=O)OC(C)(C)C 1626995482 PQAQNNVPRBBAFY-CRAIPNDOSA-N 435.546 2.461 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1F 1631042330 FSPHZVKPRCSBLY-YSVLISHTSA-N 439.509 2.028 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697059 GEQYPBOAUQXPEY-CECAUBDESA-N 445.541 2.265 30 10 IEEE COCCn1nc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1=O 1636464133 UEYMTUOPYMLJIH-IUCAKERBSA-N 449.298 2.133 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 1636468938 FOPXFRIDCFLABG-CYBMUJFWSA-N 434.290 2.107 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1636699453 MHPWLHDBDKNHAO-IIAWOOMASA-N 430.954 2.195 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)s1 1643667648 CWNGVQHORUSPEG-HXUWFJFHSA-N 443.554 2.047 30 10 IEEE COc1ncc(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)cc1C#N 1645094750 ATDDRXKOOSKHQU-UHFFFAOYSA-N 445.682 2.277 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)CC1 1645781410 JIMWDFZBQSWISB-UHFFFAOYSA-N 437.496 2.489 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c1 1656732846 SRLJGIKITNUWHK-GOSISDBHSA-N 429.498 2.248 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(CC)c3)nc2)CC1 1667984228 NFDDXLKPHVJXDV-UHFFFAOYSA-N 443.529 2.053 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)[C@@H]1CCOc2ccc(Br)cc21 1675094187 KSPMEBAWBYYGPF-DAXOMENPSA-N 441.347 2.493 30 10 IEEE COC(=O)CC(C)(C)CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1676096403 HMXFHYUJKDKTDJ-UHFFFAOYSA-N 430.484 2.286 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](NC(=O)c4ccccc4)C3)C2=O)cc1 1680779454 XXCYKGRIDYYYDH-FGZHOGPDSA-N 445.523 2.263 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1683308711 ACSGKXIEXBURQU-LPHOPBHVSA-N 443.935 2.309 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc([N+](=O)[O-])cc1 1684040114 XGQNFAFTMCMNSN-OAHLLOKOSA-N 443.485 2.244 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)C1 1685267394 XOBIKDQDTWJTPR-ZWKOTPCHSA-N 428.499 2.307 30 10 IEEE C#CCN(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 1686899781 QIORGQONUHODIL-LTIDMASMSA-N 426.579 2.211 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1687235703 NKTLPRKWQNSJJC-UHFFFAOYSA-N 433.578 2.077 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1689925769 AEROGQNJXYRNJF-UHFFFAOYSA-N 435.532 2.051 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689980690 WFLUUYUATYRBPY-QRWLVFNGSA-N 436.603 2.172 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690273051 BKLNUDRSYBIUJN-NRFANRHFSA-N 428.924 2.297 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCc2ccccc21 1690609594 UOQMDJDWAWLUPT-XMMPIXPASA-N 448.527 2.398 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690646525 URKNYVYTQDDERW-IBGZPJMESA-N 430.578 2.281 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1690667924 MSBMWZKNDUUSNI-UHFFFAOYSA-N 447.543 2.371 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@@]1(OC(C)C)CCOC1 1690677488 YACXLGKDUMIENN-HSZRJFAPSA-N 438.532 2.129 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(C)(=O)=O)C1 1690687654 GMZJIWKATMNMGS-LJQANCHMSA-N 445.589 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1690717800 RCGAZWZQSAYDPN-CQSZACIVSA-N 439.969 2.018 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)OC)C1 1690750031 YAFUWRMNGCLIBX-AWEZNQCLSA-N 435.575 2.188 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(C(N)=O)c1 1692210164 DJBDHJLNTGTKBD-UHFFFAOYSA-N 444.543 2.217 30 10 IEEE Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1693042683 OHSFTTCABFGJIB-STGLLQLASA-N 428.518 2.315 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1695499014 GWLBMRDOQZUHPV-HXOBKFHXSA-N 438.532 2.069 30 10 IEEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1696580553 CLNIXTDHRKCNBW-NRFANRHFSA-N 427.509 2.004 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CCO1 1697911681 LMACALQRIBIKLH-QZTJIDSGSA-N 449.458 2.005 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1698494087 FVEDRVREGWWHFY-LJQANCHMSA-N 444.561 2.150 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OC)c(OC)c1 1705475724 OEOPFURSUACNCU-HNNXBMFYSA-N 427.505 2.046 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1705564932 FTUMBGZNRRVLSX-UFYCRDLUSA-N 449.621 2.021 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1705568933 AWQWPXCXYYNCNZ-JOCHJYFZSA-N 449.580 2.328 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1Cc1cccc(N2CCOCC2)n1 1705624656 KAVUUKQDOKAEEF-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cccc(OC)c2)CC1 1705652831 OZEYMSVLBAOAFA-UHFFFAOYSA-N 425.533 2.032 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1705770946 AGPYPQFTUOBLAJ-MRXNPFEDSA-N 426.487 2.441 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@](=O)CC)C1 1705920821 FUJWFPZSXLFLPB-BJLXPSRBSA-N 432.546 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC2)CC1 1705935280 MCWDQXYHZOEKKQ-UHFFFAOYSA-N 447.580 2.283 30 10 IEEE C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)c1nccs1 1706771142 DHWFBYAYSOSIKT-AWEZNQCLSA-N 445.574 2.062 30 10 IEEE CC1(C)CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1706943948 DWONRBPIERYSSE-AUSIDOKSSA-N 436.516 2.399 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCCO[C@H]1CCOC1 1711086570 OUVUAOSJUIIRHK-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1722368744 SNVHOEHKTUONKP-IBGZPJMESA-N 445.589 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722387416 VIVJLVCMQYIRLG-FXAWDEMLSA-N 425.558 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1c(CC)nn(C)c1OC 1722423414 BTOFXJAMJKJKKQ-UHFFFAOYSA-N 433.516 2.256 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCN2CCc3sccc3C2)n1 1722427824 OPRYXUJWPRFGES-UHFFFAOYSA-N 439.589 2.189 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1722428842 BWRCSEWXEUGAFQ-TZIWHRDSSA-N 444.624 2.403 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCCn2cc(Br)cn2)CC1 1722439473 DBPLNMJYKAWBHE-UHFFFAOYSA-N 446.397 2.425 30 10 IEEE C=C(C)COCCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722536609 PTKVFSZXNHXUSO-PGRDOPGGSA-N 430.553 2.250 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CN(C)C)c2)CC1 1722559630 CTEUXMMSBAXNRR-QGZVFWFLSA-N 432.594 2.155 30 10 IEEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(=O)(=O)CC)CC1 1722562446 YYKCHVCTOPPOJA-UHFFFAOYSA-N 433.534 2.160 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCOC1 1722663433 XAWPAQJYSVBDRJ-DJPFJPOOSA-N 434.562 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1722696845 FRRBKQCEJSSVLZ-KBPBESRZSA-N 439.545 2.226 30 10 IEEE C=CCSCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1722738847 ANUUXYGUPNRZCW-UWJYYQICSA-N 435.594 2.051 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1723770383 AKMTWJYQNFMHQN-CYBMUJFWSA-N 431.447 2.212 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1727390854 CGNCZHJJNOBVLP-UMIVRTMYSA-N 436.516 2.259 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730481676 RDZHBXKPRQJQCQ-QAPCUYQASA-N 429.456 2.014 30 10 IEEE COCCCN(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1730689863 PKCQMYHIFVNFRU-FQEVSTJZSA-N 431.472 2.264 30 10 IEEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1731037137 FLTHSFMVSOFMCQ-HNNXBMFYSA-N 436.545 2.155 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1740573313 AZJOTTWTQQMIEW-QUCCMNQESA-N 449.621 2.416 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCN(C(C)C)CC1 1740605236 PRWTYBJFTSNQBN-UHFFFAOYSA-N 427.549 2.267 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740621681 YUHHAHRZBXVRCX-IKGGRYGDSA-N 444.557 2.245 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740715821 OSJLKXYQTJVUEG-JOCHJYFZSA-N 435.557 2.199 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC(=O)N1 1740922922 XDTCNXPFALWXQK-IIBYNOLFSA-N 431.562 2.463 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1740935871 ZEBKUFFGTAWUFK-TZIWHRDSSA-N 438.576 2.185 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1 1740941312 HTOFLAILMCLERK-CQSZACIVSA-N 426.443 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC(C)(C)OC(C)(C)C1 1740993330 XWTKWZYOYCWHRX-UHFFFAOYSA-N 433.578 2.259 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1c(F)cc(F)c(F)c1F 1741658138 PCSQXAGRSJZKTH-SFHVURJKSA-N 428.365 2.463 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1741754935 LQZHKAKZCVBZSD-OFNKIYASSA-N 441.532 2.252 30 10 IEEE Cc1nc(CCn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1742607581 VRUUQCOGAHEGLB-NHCUHLMSSA-N 428.541 2.118 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccc(C)cc2)CCOC1 1746733057 DUSIZOOXMLMDJQ-REWPJTCUSA-N 441.532 2.437 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(C)C1CCCC1 1747185957 BWVLTKYKOVEPIQ-UHFFFAOYSA-N 438.580 2.282 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748719085 SIHGRHNAEKOIDK-IBGZPJMESA-N 441.543 2.444 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1748747029 BFEYXNGXWNANLD-INIZCTEOSA-N 426.521 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)C(C)C 1748886650 KHHVKZKYABPZRI-UHFFFAOYSA-N 445.571 2.385 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCCO)c(OC)c1 1748890671 SRYSIAOZTYHFNV-HXUWFJFHSA-N 438.528 2.063 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748897163 VTZAEPINSYIBTO-NRFANRHFSA-N 444.514 2.210 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC)nc2OC)c1 1748932954 DGFQIDVWJDFPJE-SFHVURJKSA-N 436.472 2.143 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCSC2)CC1 1748983623 WDMMNQCSSKOITM-NRFANRHFSA-N 447.992 2.230 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1748999809 GPCUBODMEIEFGE-IBGZPJMESA-N 446.596 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749664608 UDOCSPYCHKFZQA-QZTJIDSGSA-N 431.924 2.285 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C2CCOCC2)C1 1749676297 LJOGWTHBNIRLAK-HXUWFJFHSA-N 439.560 2.433 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1751278355 UTAXJZMVDMXPSY-CJNGLKHVSA-N 435.472 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760111936 XFEWQJPAIQBIPC-HOTGVXAUSA-N 426.546 2.166 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760183569 RNDTVIGWUCDHSS-LJQANCHMSA-N 449.621 2.404 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1CCS(=O)(=O)CC1 1760250525 KDXUZRWZTTXPKR-UHFFFAOYSA-N 430.574 2.088 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)CCc1ccccc1 1760333232 BXTPEAWAQZVJGD-ONTIZHBOSA-N 439.560 2.252 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1760412243 ITKIPWXMPRZZNT-QGZVFWFLSA-N 440.610 2.414 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1760480694 CFGVNRUHRBFRFT-GHTZIAJQSA-N 448.614 2.241 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(F)cn1 1760503577 CAEOWLYTUOGXQC-UHFFFAOYSA-N 435.467 2.142 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760524784 JGNRXCBZKVLLNI-JKSUJKDBSA-N 432.519 2.368 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(C(N)=O)c1 1760930077 DULXRHDKLZZIJH-UHFFFAOYSA-N 430.516 2.142 30 10 IEEE Cc1cnn(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1762187933 HKSDUUCRLDUURR-IBGZPJMESA-N 434.504 2.081 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1762915112 HRUSCUJNKUIVJT-YLJYHZDGSA-N 442.589 2.172 30 10 IEEE CCN(CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C1CC1 1765254754 CEZPKVJJYBPOTJ-GOSISDBHSA-N 437.596 2.338 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1766157382 DCMNWZYLZZOKMX-NFOQDIRWSA-N 440.479 2.101 30 10 IEEE CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1768075098 XNTDEPZKOBZXRM-VQTJNVASSA-N 438.532 2.495 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1769841081 GHNJXZZXOXZFTH-UHFFFAOYSA-N 442.911 2.176 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)F 1771195216 PIYZETUJEXDMEM-NSHDSACASA-N 426.399 2.099 30 10 IEEE CC[N+]1(C)CCC(N(CCS(=O)(=O)N2CCCCC2)C(=O)c2ccc(C#N)cc2)CC1 1853579826 QSZBNJJAPBWXNA-UHFFFAOYSA-N 447.625 2.445 30 10 IEEE Cc1c(Cl)cncc1C(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854353440 ZXQLMFUQBRVPTB-GOSISDBHSA-N 425.876 2.205 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)CC2CCC(F)(F)CC2)C(=O)C12CCCCC2 1854418854 MGUFDYFHMZLZFZ-UHFFFAOYSA-N 431.505 2.429 30 10 IEEE C=C1CCCN([C@@H]2CCCN(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2=O)CC1 1855163908 WQTBYMRAPKQKFA-QZTJIDSGSA-N 430.574 2.457 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862609531 PAMGUPJFSNBKTP-HXPMCKFVSA-N 440.408 2.325 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862642433 DYETYUNLTOLKNR-QGZVFWFLSA-N 432.360 2.019 30 10 IEEE N#CCc1[nH][nH]c(=NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1C#N 1865996026 JSSOHFNCZVXMLP-HXUWFJFHSA-N 428.452 2.246 30 10 IEEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870144246 UOTRDMXBQHWMBS-UHFFFAOYSA-N 440.423 2.030 30 10 IEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488182 PIPDZQPFSRDVKE-UHFFFAOYSA-N 431.928 2.297 30 10 IEEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCC(C)CC3)ncnc21 1873594359 SDTSRIAIUGNIHQ-UHFFFAOYSA-N 426.565 2.306 30 10 IEEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873594570 XDEBBGWFLPJGCK-UHFFFAOYSA-N 445.527 2.312 30 10 IEEE CCCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874336845 DXJQAOVDMWLDHU-BRUSPLQXSA-N 444.561 2.251 30 10 IEEE Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCC#CCN3CCCC3)cc2)c1 1890442514 FZXBSPMCRGIQHF-UHFFFAOYSA-N 425.554 2.303 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2ccc(C#N)s2)cc1 1891779089 HAIMCJQEGOLDOX-LJQANCHMSA-N 446.554 2.438 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(n3nccn3)CC2)[C@H]1c1ccc(C#N)cc1 1892111027 IEMYASNKLXPXLH-RTWAWAEBSA-N 438.557 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060641744 MNKFIHNMUQMYJS-NQNKBUKLSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)ccc2Br)[C@@H](C#N)C1 2106650874 HWHFXPUNVITZPX-LBPRGKRZSA-N 445.339 2.165 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224077951 BOCQAYFRSXKOCY-RANZSIQMSA-N 431.342 2.473 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224077961 BQSMBOYDYQVDQJ-QFIPXVFZSA-N 433.358 2.237 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406445 YMCCAAHSYMJRJK-GFCCVEGCSA-N 440.375 2.139 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCOC1 2250667739 AEZSFAFDFZAFEI-VQTJNVASSA-N 428.533 2.249 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629945 CSQIGYJQYNEAMW-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255636065 PCXXNJLKDLYCSG-VNHYZAJKSA-N 449.382 2.428 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCN(C)Cc2ccccc2)n1 2255833379 BXNIDMVZJNTQKS-UHFFFAOYSA-N 426.370 2.454 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(C)nn(C)c2Br)C1 2266524526 SVUWZOVAKWBWCX-UHFFFAOYSA-N 425.327 2.414 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267129276 ZFTMJBZBHVUOBP-INIZCTEOSA-N 448.373 2.235 30 10 IEEE Cc1c(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267195696 ANJBHKVDSKXWIZ-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE Cc1nn(C)c(C(=O)NCc2ccn(Cc3ccccc3)n2)c1B1OC(C)(C)C(C)(C)O1 2267521366 PMNIARVAZCIEPV-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267595831 KHJFIGLDNPDGOK-CQSZACIVSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268650119 HHPCLWNQELWWSY-INIZCTEOSA-N 447.341 2.345 30 10 IEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2ncc(Cl)s2)OC1(C)C 2282502869 QTUFZLWLJPDCAF-UHFFFAOYSA-N 435.789 2.172 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282676898 QLHMQPRMCIQWRX-NHCUHLMSSA-N 449.360 2.106 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](O)C#CC2(S(C)(=O)=O)CC2)C1 2302955012 JXTRQSIDXVANGH-IBGZPJMESA-N 449.569 2.382 30 10 IEEE C=C(CS(=O)(=O)Nc1n[nH]cc1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2307252978 XZNVJOGWKPHOSX-UHFFFAOYSA-N 442.347 2.364 30 10 IEEE CC1(C)OB(c2cc(N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)ncc2F)OC1(C)C 2322311907 ZMWMBBYVJIMRCF-RYUDHWBXSA-N 429.223 2.262 30 10 IEEE CCOc1cc(C=NN=c2nnc(-c3ccc(OC)cc3)c(O)[nH]2)cc([N+](=O)[O-])c1O 2323289091 RDZGZPRPDVASCQ-UHFFFAOYSA-N 426.389 2.133 30 10 IEEE Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c(O)c1 2328554021 VNYARHAMOHOMQE-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cn(C)c2ccccc12 2330717956 PSLZBCFZZGOPNC-UHFFFAOYSA-N 441.561 2.249 30 10 IEEE COC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330972171 OQIVCDPBHJMKHA-CYBMUJFWSA-N 436.490 2.303 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)[nH]1 2337024159 LSFVDLOFOFPKMG-GOSISDBHSA-N 446.401 2.074 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2337191026 UPXJEFRQYQTLDS-GASCZTMLSA-N 448.373 2.061 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CCC1 2337210233 YQJXLDADUSBCBV-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE NN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1cc(Br)ccc1I 2341629063 NQJQFPBHUFPTLM-SGESHTKJSA-N 433.087 2.454 30 10 IEEE N#Cc1ccc(NC(=O)c2cc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc2Cl)cc1 12031959 UCRRCCZWSVEMHS-OAHLLOKOSA-N 438.914 2.425 30 10 IEEE C=CCS(=O)(=O)[C@H](C)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 71542096 PEYALQMZEYWFLI-DNVCBOLYSA-N 439.530 2.446 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@@H]2c2ccccc2F)cc1 102701565 RKSGQGZYWUZBMR-SADKCHQCSA-N 439.487 2.161 30 10 IEEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1O 169906087 NSCRLVUIIDEAAE-VCHYOVAHSA-N 425.419 2.029 30 10 IEEE COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc3c(c2)OCO3)cc1 254740967 PXFVBHGQEHITAO-MAUKXSAKSA-N 446.506 2.339 30 10 IEEE C[C@](N)(C#N)CCCn1cnc(I)c1I 308797363 IHMATBPMIJYYFO-SECBINFHSA-N 430.031 2.113 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 410322794 DLVBHHXSCPEQIO-LJQANCHMSA-N 426.542 2.412 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)n1 433881843 WSHLIGXGXPEXMI-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(CCOC)C(=O)C1 460375611 LZPBYRPLVXOECO-UHFFFAOYSA-N 427.549 2.333 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 460799561 ONMKGUPZTUCSOD-MRXNPFEDSA-N 435.532 2.308 30 10 IEEE C=C(C)Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 460800178 BPHBPHHOCYWNGP-UHFFFAOYSA-N 430.578 2.356 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2COCCO2)n1C[C@H]1CCCCO1 461871508 PPQXIZSNRCWDNW-NHCUHLMSSA-N 441.532 2.460 30 10 IEEE CCCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 480304297 HXKMRLSOWRJUHG-HNNXBMFYSA-N 431.514 2.339 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 483499382 AMWLTFGVTCSTOJ-UNMCSNQZSA-N 443.931 2.483 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CCN(C)CC1 488495533 QTDLMHMEVLULGA-XMSQKQJNSA-N 432.524 2.448 30 10 IEEE CC(C)(C)c1noc(OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 501922776 ZOSIWGUFOMBJOZ-UHFFFAOYSA-N 426.433 2.214 30 10 IEEE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503610745 NEYIYUDLUUPYQS-ROUUACIJSA-N 426.517 2.053 30 10 IEEE CCn1c(CN2CCC(C)(C#N)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 506056036 JLXJVUJBYQWAJC-UHFFFAOYSA-N 431.562 2.203 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508738894 HNCZLUMYFMWBPR-IBGZPJMESA-N 425.533 2.427 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 508802951 ULSYMCCVHVJPAJ-UHFFFAOYSA-N 444.425 2.496 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCCc2cccs2)CC1 508827279 QQGAXUNJRLTWNF-GOSISDBHSA-N 431.562 2.189 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508894128 JZLMGQGRVOQAMJ-AWEZNQCLSA-N 442.911 2.325 30 10 IEEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 511401426 ZUBLMPOLTJDHEJ-UHFFFAOYSA-N 438.502 2.333 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1c(C)cccc1C 516373569 XSCXJNMHAVMHGG-UHFFFAOYSA-N 447.560 2.390 30 10 IEEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](C)Cc1ccc(OC)cc1 533282551 BPFHNBHVRZMZPP-QGZVFWFLSA-N 425.533 2.465 30 10 IEEE Cc1noc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCCO3)CC2)n1 549650727 OAECBXQCPMPFKH-HXUWFJFHSA-N 448.531 2.400 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@@H]2CC2CCC2)CC1 550503554 QKTUGUXPVACWMQ-SFHVURJKSA-N 439.516 2.346 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](c2ccnc(N)n2)C1 563288686 AKCIEAPYLUZXSR-KRWDZBQOSA-N 425.537 2.203 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 578340518 MHLBAKYJHFHTQE-IBGZPJMESA-N 434.496 2.463 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N[C@H](C)c2ccccc2)nc1C 586300769 AGMCYYSVJPUMDZ-OSXTUODASA-N 449.554 2.359 30 10 IEEE CCc1ccccc1-n1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2)c1=O 590992595 CDXAEQGVVHIGLE-QGZVFWFLSA-N 447.560 2.116 30 10 IEEE CCn1nc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c(=O)c2ccccc21 609814733 FRHPZPJTVPJSKC-SFHVURJKSA-N 433.493 2.442 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 610343396 FOXCSYGVLRWFBD-GJZGRUSLSA-N 430.530 2.495 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(Cc2cccc(OC)n2)C1=O 726396841 VCZSHBUXLQUEFS-KRWDZBQOSA-N 444.513 2.375 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 730312091 OCYYDXVNECEVTC-KRWDZBQOSA-N 430.486 2.021 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 746640073 JPSSYCUVGKTWDR-SFHVURJKSA-N 440.569 2.238 30 10 IEEE COc1ccc(CNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cc1C#N 746729105 RVQPZAYULGQALN-UHFFFAOYSA-N 427.549 2.091 30 10 IEEE C=CCn1c(CCN2CCCCC2)nn(CN(C)CC(C)(C)S(C)(=O)=O)c1=S 763320348 VHHNADXRFKBAFW-UHFFFAOYSA-N 429.656 2.341 30 10 IEEE COCCOc1c(Cl)cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 774243071 QWKYAEFKRRHNAQ-CQSZACIVSA-N 441.315 2.156 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCC(C)(C)O)C1=O 774287918 XUTLFQWTAMUVME-INIZCTEOSA-N 442.532 2.125 30 10 IEEE CCOc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCC1 780854354 HHPQLKPMTGRCJC-HXUWFJFHSA-N 429.498 2.414 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)cc1 783210201 HAJOTQFYVJPVGE-CVEARBPZSA-N 440.493 2.102 30 10 IEEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Br)cc1 784124731 BASWHQREROUKEQ-HNNXBMFYSA-N 437.363 2.082 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)s1 787012245 BZAKHUMDFLENLB-UHFFFAOYSA-N 433.511 2.055 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 787057406 WUHJZJUXCDKVBF-UYAOXDASSA-N 434.452 2.277 30 10 IEEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 798361465 DTCOJVBPJQVHQY-PKOBYXMFSA-N 430.574 2.352 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2cnn(C)n2)c1 807928508 GJJAMINWFYXDSI-CQSZACIVSA-N 440.451 2.324 30 10 IEEE C[C@H](O)[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)OCc1ccccc1 817229674 OEAKTKRSIRPYIR-KLHJMIIUSA-N 425.460 2.133 30 10 IEEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775120 IBOCZRQZUBVASE-IBGZPJMESA-N 445.566 2.364 30 10 IEEE N#CCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 918866549 BKCJOWXFFHQSKZ-UHFFFAOYSA-N 448.479 2.117 30 10 IEEE CCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cn1 1084346838 DUORIIIJMXDFSK-UHFFFAOYSA-N 430.494 2.215 30 10 IEEE C#CCn1nc(Br)c2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21 1088671017 AEWNQNMLGSNYKN-UHFFFAOYSA-N 427.180 2.300 30 10 IEEE N#C[C@@]12CN(C(=O)CCCOc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1134052333 AEDXUXOSGXCRAU-GUYCJALGSA-N 427.320 2.005 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)s1 1136803122 SHTWWTUCSVBLTF-UHFFFAOYSA-N 447.538 2.355 30 10 IEEE CCOC(=O)CC(C)(C)CC(=O)C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1140198541 HVGSULCXUIAPCN-KHPPLWFESA-N 444.528 2.408 30 10 IEEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1143652510 MNIUKDQOPRGRHQ-JCGIZDLHSA-N 449.573 2.345 30 10 IEEE COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 1152343293 VOGVLYXWPGOEOX-UHFFFAOYSA-N 445.497 2.425 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)o1 1156247741 QMUWMYKEANFRPF-OAHLLOKOSA-N 431.518 2.340 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nc3ccc(Br)cn3c2F)n1 1156617866 FLCVNEZMORELJQ-UHFFFAOYSA-N 434.269 2.354 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 1157326962 LGQQKBXAXCCMRZ-HOCLYGCPSA-N 426.945 2.193 30 10 IEEE Cc1cc(C(=O)NCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] 1164155979 YSSAJYKLQIFHEE-UHFFFAOYSA-N 435.484 2.286 30 10 IEEE C[C@@]1(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@]1(F)Cl 1230577093 KORCVMWJPGXJTI-QZTJIDSGSA-N 428.917 2.279 30 10 IEEE COc1cc(CNC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)ccc1C#N 1248505759 RUCBNBGBQDSFRP-ZDLGFXPLSA-N 437.481 2.498 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)c1 1251874153 LLRRTJGCSWCIBU-UHFFFAOYSA-N 430.306 2.261 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCC3CCN(C4CCOCC4)CC3)CC2)c1C#N 1252900473 JWGFGJRCQJLCAK-UHFFFAOYSA-N 432.594 2.046 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1)C1CCOCC1 1253347324 CMQFWRZWIYXZSC-QGZVFWFLSA-N 443.573 2.269 30 10 IEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 1286340362 ZZLUOJLGLUKIEW-UHFFFAOYSA-N 429.365 2.417 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286362864 GSZXMIQVKUXNOG-HSZRJFAPSA-N 443.523 2.024 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1286369345 MWNMCEDEWLYVAI-GOSISDBHSA-N 433.560 2.476 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386557 CRBGFTAWNKKCJK-SFHVURJKSA-N 445.589 2.117 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1286388425 OVHMRIKLJKKVCQ-RTRPANQVSA-N 428.514 2.267 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286391262 DGRMAEKOMQGPGU-ZWKOTPCHSA-N 448.976 2.305 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286505907 NJNWZOHNVLGFHZ-HXUWFJFHSA-N 436.585 2.420 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286606326 MMHLNPGBDGTING-HNAYVOBHSA-N 445.486 2.352 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286782544 YGRRAVZJJLYJCJ-CVEARBPZSA-N 427.509 2.074 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286792598 CQCSOKCJOCKCLH-HKUYNNGSSA-N 429.496 2.446 30 10 IEEE C=CCSCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286836629 PLCIBMWDKJFIQW-DENIHFKCSA-N 446.621 2.414 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1286971596 KCTKDDLEKAKDHZ-YGRDSASPSA-N 448.568 2.185 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1290472474 CLLRYPBCDQQGAM-HXUWFJFHSA-N 441.329 2.234 30 10 IEEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCOC1(C)C 1291315760 FJFUZFWUCMZYLK-ZDUSSCGKSA-N 436.438 2.499 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1291540402 QPNFIGCCQVJJGU-JKSUJKDBSA-N 432.550 2.309 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCSCCCO 1291600902 WWIIIQLJHBJDFM-INIZCTEOSA-N 446.625 2.147 30 10 IEEE CN(C)c1cccnc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1298066411 HQPQKYKVTUQNJW-SQGPQFPESA-N 439.564 2.435 30 10 IEEE CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1298364184 UVDMVAPSVIHPGO-LSDHQDQOSA-N 447.499 2.152 30 10 IEEE CN(Cc1ccccn1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298372636 DVJGBLBIQYZDAB-IDYLYPCZSA-N 437.504 2.078 30 10 IEEE CN(Cc1ccoc1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298420803 YEOWRCFWEWBUBL-DMEQXSTQSA-N 426.477 2.276 30 10 IEEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300340411 ZGDXISINZGTKCE-RTBURBONSA-N 437.610 2.226 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)cc1OCCOC 1300455025 FBNKZFJNXQHZSY-UHFFFAOYSA-N 437.500 2.457 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NCC=C)CC1 1300690399 KOWLRPRIUUNSAF-UHFFFAOYSA-N 433.343 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1300718538 RUFPNQQTDPVZEH-SIKLNZKXSA-N 446.555 2.334 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1300772489 LFKANXDTITXUHK-SIKLNZKXSA-N 427.505 2.149 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1300823415 GWKGVYGOOOJCAT-QWRGUYRKSA-N 440.264 2.481 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301033428 ILFDGZNUZJVUNI-FOIQADDNSA-N 443.983 2.390 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301259754 NQTMVMOBJCYWJI-FXAWDEMLSA-N 446.621 2.383 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1301295209 VZADVXXYJNVJHS-HOTGVXAUSA-N 441.598 2.305 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@@H](C)O1 1301370896 BLUAYEWIFGRRTN-APWZRJJASA-N 431.562 2.172 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1 1301500824 PTLQZICLJBUPJI-HNNXBMFYSA-N 446.349 2.409 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2F)C1 1301537432 AMQXHILZAHQGHK-WBVHZDCISA-N 437.541 2.051 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCN1CCSCC1 1302284914 SSXYHRBKIVVYAZ-OALUTQOASA-N 434.610 2.181 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NC2CCCCC2)CCO1 1303001863 MDJAHWBCRQDGKU-GOSISDBHSA-N 439.476 2.031 30 10 IEEE C#CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656022 OZRPFEVHVQDYIZ-HDICACEKSA-N 431.533 2.023 30 10 IEEE N#CCC1(CS(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1309231866 BPZNHHHUVBXIPQ-UHFFFAOYSA-N 431.605 2.078 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1ccc(C)cc1 1316269894 OXIMFMULAHDZFP-IHPCNDPISA-N 440.548 2.336 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1COc2ccccc2O1 1316269897 PDLOLDJNKDGSNM-BOSXTWCSSA-N 427.505 2.438 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1316537029 XYLIOQPFRVFJHA-INIZCTEOSA-N 434.953 2.407 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCCC1 1358952614 RMESXBQGBFWQIQ-UHFFFAOYSA-N 430.622 2.222 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358959492 JWKSJBKAHYNZOS-DLBZAZTESA-N 449.964 2.189 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358964886 JMDQNMDXVKLUEP-MJGOQNOKSA-N 446.548 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)N(C)Cc1ccccc1 1358968770 YGECBWLZAMVALP-OAQYLSRUSA-N 432.572 2.498 30 10 IEEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)C1 1359050299 MRJKBIHGRWWHNJ-UHFFFAOYSA-N 438.326 2.149 30 10 IEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1359082350 GFRULRCAHRLXFK-OAHLLOKOSA-N 447.337 2.134 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359218815 WCPZIHQOOZGFPF-UHFFFAOYSA-N 429.550 2.121 30 10 IEEE CC(C)(C)[S@](=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1359588876 AMROSXGQBZGJEY-YJZNIBPQSA-N 445.545 2.067 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](O)c2cc(OC)ccc2OC)c1 1455527705 HNKWXWNYEWHTSN-XOBRGWDASA-N 434.514 2.020 30 10 IEEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 1462102154 BGXSUQNMOAEODG-UNMCSNQZSA-N 434.544 2.329 30 10 IEEE CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)cc2I)C1 1462860888 FKGFXHOCQXDCKQ-LBPRGKRZSA-N 447.298 2.163 30 10 IEEE COC(=O)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)Oc1ccccc1 1464389781 DYJZFUMJYXBVDP-MRXNPFEDSA-N 439.287 2.220 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1469970360 ZXBDLSHATGPAJX-KRWDZBQOSA-N 426.494 2.028 30 10 IEEE COc1ccc(CN2CC[C@@H]2CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470033268 PMDSNYFSQDLQEN-GGAORHGYSA-N 447.539 2.241 30 10 IEEE CC1(C)Oc2ccsc2[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1O 1478567005 CYSPCRHEONITPI-SUMDDJOVSA-N 440.525 2.293 30 10 IEEE CCCCOCCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1500606462 XUDHSPBAGJKOGB-UHFFFAOYSA-N 434.504 2.477 30 10 IEEE CCOC1CC(O)(Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](F)(C#N)C2)C1 1502963373 FDAOSGNSBMEFLQ-PDRFFQIWSA-N 429.496 2.249 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCCC1(C)C 1503069873 SWPOVRFNVNKTGV-JOCHJYFZSA-N 426.521 2.291 30 10 IEEE CN(C)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)cn1 1503391468 BKYCOHAPLVXQPQ-SFHVURJKSA-N 444.543 2.418 30 10 IEEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504022899 QCLBJGZTMLDIIH-GKEISQTQSA-N 444.536 2.051 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)(F)F)CCN1C1CC1 1505322256 KWFJKQNBVNKWJV-ZBFHGGJFSA-N 428.459 2.275 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N1CCOCC1 1507520953 IOHYQYRXTYYCGO-JKSUJKDBSA-N 427.574 2.448 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507592495 AQNRDCXWTQDSCX-QGZVFWFLSA-N 430.553 2.307 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnn(C)c2C)CC1 1507720812 JDHNRUAIDGCOCP-UHFFFAOYSA-N 439.951 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cc(F)ccc2OC)CC1 1507740442 UAFDJFYEOBLEFW-UHFFFAOYSA-N 425.508 2.392 30 10 IEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 1507850739 ADWOYUWPTQHQQF-FUHIMQAGSA-N 445.589 2.417 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507962739 WVJFXSSYSWGTHQ-DLBZAZTESA-N 448.568 2.315 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](CC)OC)C1 1508118234 RBHKMPMBGNUWSC-IRXDYDNUSA-N 438.532 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H]1c1nncn1C 1508143894 PMOLDTQNLCCHRB-QGZVFWFLSA-N 433.582 2.082 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCOC[C@H]3C)CC2)c1C#N 1511661200 CSEUMCVCYOEJLD-IEBWSBKVSA-N 440.596 2.389 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@]3(C)CCCO3)CC2)c1C#N 1511661773 FLSRDQCITKARPW-QFIPXVFZSA-N 426.569 2.286 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCS1 1512495859 CAWMVJCBQPNRLZ-MRXNPFEDSA-N 429.546 2.212 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(I)nn1C 1515569838 KKMNESAKLCBMHY-UHFFFAOYSA-N 437.285 2.100 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCOC1 1517104931 BMOYREPRGVQLQL-RTBURBONSA-N 429.546 2.115 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1517435319 NMITVRVGYOIHDX-UHFFFAOYSA-N 444.543 2.311 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(OC)nc1OC 1519405363 QKDKDAPRJKXXBO-HFTRVMKXSA-N 430.509 2.201 30 10 IEEE COCCOC(=O)c1c(NC(=O)c2cc(C#N)cc(N(C)C)c2)sc(C(N)=O)c1C 1531839008 GCCGQJWIOMAJOO-UHFFFAOYSA-N 430.486 2.149 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCCCN(Cc2ccccc2)C1 1534922273 VBRVNGVJEGLGAI-LJQANCHMSA-N 440.569 2.286 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1539003475 DHDWWPBZNHFXMZ-BBWFWOEESA-N 430.553 2.334 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1539013293 INJQPJVMYHKJNW-FXAWDEMLSA-N 429.590 2.138 30 10 IEEE CCO[C@]12CCC[C@@]1(NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCO2 1539100219 JWSJZKJNXXHAKG-YADHBBJMSA-N 447.557 2.151 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539211865 PRXWYGHUKLFYKC-OAHLLOKOSA-N 445.545 2.410 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539271698 HQZLPHQTGRVBGY-FQEVSTJZSA-N 441.539 2.005 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1539343512 LHBCNHYQQHSCPM-CQSZACIVSA-N 425.942 2.080 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCN3C3CCCCC3)CC2)cc1 1539368353 UASBQGSTZIJSGZ-OAQYLSRUSA-N 444.601 2.482 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCSCCCO)CC1 1539444248 LJPIMCVMHCRXCS-UHFFFAOYSA-N 438.601 2.308 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCC[C@H]2C)CC1 1539461364 DXWGSKZEJKULDF-LJQANCHMSA-N 426.540 2.236 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC1 1539462815 ZXFXKAAAMQOZQA-SSEXGKCCSA-N 447.992 2.177 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540865835 UDCGUEUHPFIZFL-OAHLLOKOSA-N 447.465 2.192 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccccc2)C1 1540897703 PURMTJHCGFMTKM-SFHVURJKSA-N 431.562 2.011 30 10 IEEE CC(C)COCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541587099 BZMJYMKOAQGNML-FQEVSTJZSA-N 439.564 2.438 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCN(C)C)CCOC1 1541723811 INLYKXUXCZNDIS-QFIPXVFZSA-N 434.585 2.027 30 10 IEEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)cc1 1542509112 HSXOOMDTISNOAJ-UHFFFAOYSA-N 434.591 2.168 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545576596 ASJORPWFWVLLBI-ZELHOUEFSA-N 442.442 2.086 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)c1 1547762274 WKBVQVXRYYCJMJ-AOMKIAJQSA-N 444.511 2.242 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCSCCCO)CCN1C1CC1 1555994074 FGOUHQCVLJWAJD-FQEVSTJZSA-N 444.580 2.300 30 10 IEEE N#Cc1cc(F)c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1Br 1559071918 HNMLSOICAUFHGJ-UHFFFAOYSA-N 437.313 2.400 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 1559982377 NUCWNIJEHFUJQV-INIZCTEOSA-N 437.443 2.442 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 1583821321 YYXAVTWAWNNCRL-UHFFFAOYSA-N 433.549 2.317 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(Br)ccc(C)c3[nH]2)CC1 1585004761 YHEHOLQKPJJBQJ-UHFFFAOYSA-N 431.334 2.136 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1587702195 PSZYZAIQUWHRDS-UHFFFAOYSA-N 430.582 2.096 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588046041 WBWPCJYDXUMPRV-JKSUJKDBSA-N 434.949 2.262 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1588053079 ATQZCRKCKMNOOA-GOSISDBHSA-N 444.557 2.238 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccccn1 1588140415 WZKKNJWUXVLTBE-UHFFFAOYSA-N 426.528 2.163 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1588228300 DFSPIUYWXFXTOR-BJKOFHAPSA-N 447.583 2.250 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1593818417 SCOVJQVWDYMVMT-ZWKOTPCHSA-N 427.977 2.303 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1595501429 TVJNAULVRWWXFM-KRWDZBQOSA-N 426.912 2.334 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1595517020 MTWJCGIOHIGXSS-UHFFFAOYSA-N 448.575 2.045 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1595562010 KYDFNQBOOGSXPR-UHFFFAOYSA-N 441.561 2.482 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595570001 UHYQZVXUIIXQSA-CYFREDJKSA-N 439.560 2.140 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1614224119 HCEXLRCVNYWZEM-SLNYWTKHSA-N 436.516 2.395 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1615906052 YFKGOAQNKJLNRQ-SJORKVTESA-N 438.488 2.093 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1618859874 HTKCXOYNZIJTMF-SFHVURJKSA-N 427.505 2.281 30 10 IEEE C#CCn1cc(CNC(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)cn1 1626740792 XPVDKTKOSLHGDC-AWEZNQCLSA-N 449.462 2.157 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)C1(CO)CCCCC1)c1cc[nH]n1 1627682906 HIPSQSJZADTWML-OAQYLSRUSA-N 442.516 2.494 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 1629601395 SVFKEODCXYSQPI-LLVKDONJSA-N 443.323 2.053 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(NS(C)(=O)=O)cc2)CC1 1630163593 BMYXRAPWHIRYLI-UHFFFAOYSA-N 435.546 2.325 30 10 IEEE COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1632874064 BPBDNJWMPKUUBU-BMRADRMJSA-N 445.369 2.231 30 10 IEEE CN(CCN1CCOC(C)(C)C1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1634516740 UZFRVXMNHYUXOA-UHFFFAOYSA-N 435.366 2.326 30 10 IEEE C=CCCC[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OC 1634883852 CMPVLGHVKCWMAE-CYBMUJFWSA-N 425.279 2.189 30 10 IEEE C=CCOC[C@@H](NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)C(=O)OC 1635159238 VYTKDTZSCFFOBO-OAHLLOKOSA-N 426.395 2.128 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)c1 1635879021 FYJAWAVUXUYRHB-KRWDZBQOSA-N 437.562 2.411 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636141296 AUQNAICFTFHRHH-JPYJTQIMSA-N 444.532 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4ncc(C#N)cc4F)CC[C@H]32)CC1 1640028889 DPWXWQHLNLUABX-QZTJIDSGSA-N 444.511 2.464 30 10 IEEE N#C[C@]12CN(C(=O)c3cc4c(Br)c(F)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1648155360 DMMOHCSMNUHFKU-XXFAHNHDSA-N 426.267 2.080 30 10 IEEE CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1cc(Br)ccc1C#N)CC2 1654268339 COTGRQQXTOPRNX-JKSUJKDBSA-N 429.336 2.261 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN([S@@](C)(=N)=O)CC2)n(-c2ccc(F)cc2)c1C 1655525345 XNWVETMQLBACOS-SSEXGKCCSA-N 432.525 2.253 30 10 IEEE C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1655599217 MXNCZHRKPPYQOR-YSIASYRMSA-N 445.608 2.485 30 10 IEEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s1 1655746897 GJOWQHCTSWSRBO-AWEZNQCLSA-N 441.600 2.483 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1csnc1-c1ccccc1 1662840948 FBWUDHGQAWJSSU-AWEZNQCLSA-N 426.527 2.371 30 10 IEEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NCC#CCN(C)C)C1=O 1672542198 IVWVKSRQKOGNGZ-QGZVFWFLSA-N 435.366 2.426 30 10 IEEE C#C[C@@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1673018583 PFCNORKVQROWFK-NRFANRHFSA-N 436.578 2.477 30 10 IEEE C#CCN(C(=O)NCCc1cc(Cl)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 1675557093 AYFJGDADBWYPBA-HNNXBMFYSA-N 433.755 2.477 30 10 IEEE N#Cc1ccc(CCNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 1683981174 FANUQERCALARRC-UHFFFAOYSA-N 431.540 2.407 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1689830460 ADCUZIBAEKEEAE-DZKJRFDESA-N 430.574 2.315 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1690099827 MVXBZYBLLOPZQX-MRXNPFEDSA-N 429.525 2.124 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1690252799 IZFKKBYYSTYXFR-FTRWYGJKSA-N 429.496 2.289 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1690663242 QOOLQKJLMCFKQI-HZPDHXFCSA-N 431.562 2.133 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690720365 GUHDESJUIPRMQY-PGRDOPGGSA-N 446.573 2.239 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690742050 FJLIQILJSYWVNA-CVEARBPZSA-N 431.566 2.299 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)Nc2ccc(F)cc2)n1 1693425398 AVUIZHYQHYKPAI-NRFANRHFSA-N 440.458 2.360 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1698170871 NNJNOJOECNERLS-FQELHTAISA-N 449.939 2.292 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705523538 ZOYOIGVUBJLAAC-OAQYLSRUSA-N 442.608 2.458 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@@H](C)C1 1705534394 HHXYWMJEGGWJME-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1705595342 OREQGRJLJNCBQT-UHFFFAOYSA-N 439.523 2.369 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCC(C)C)CC1 1705635072 QDTKMQJKFFMOHF-ZEQRLZLVSA-N 447.624 2.261 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705665960 JKEWLLUYLYMODN-MJGOQNOKSA-N 425.558 2.247 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705673836 OHYCQOWRWCWAGE-HRAATJIYSA-N 431.537 2.358 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1705848622 YOBAAYCRYGSTKC-OKZBNKHCSA-N 434.585 2.392 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705890185 BUXYDWBOHDIWHD-OAHLLOKOSA-N 441.598 2.448 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705897425 MERQHKIGBQCKMP-JCGIZDLHSA-N 449.939 2.224 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1705911180 AORYXGWHCLCJOW-LJQANCHMSA-N 427.549 2.431 30 10 IEEE Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)s1 1707709578 APAFRCMXPFIOSE-DZGCQCFKSA-N 438.517 2.223 30 10 IEEE CCOCc1nnc(N(C)Cc2ccc(F)c(F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1710645560 ARVYMYQLRYOGGI-FMQUCBEESA-N 446.458 2.256 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCN2C 1712565775 HJPOJSWBPRGQRF-FXAWDEMLSA-N 440.548 2.162 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2ccco2)C1 1712875234 AQDHMHANZFQGCU-OAQYLSRUSA-N 426.427 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCCC2)CC1 1722443526 UZZQPVRBFKIAGE-UHFFFAOYSA-N 442.951 2.264 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722455750 PONGDSCVFGZYLQ-ZWKOTPCHSA-N 442.589 2.074 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](COC(C)C)C1 1722462585 OLKBLMPXGDASHP-IBGZPJMESA-N 432.594 2.136 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1722471029 ZPFLHDZUGOJHQU-UZUQRXQVSA-N 435.507 2.154 30 10 IEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722605938 YJBVUVCRDPOBRO-SFHVURJKSA-N 428.562 2.496 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1722625190 POEIKJCAGSMEPD-GOSISDBHSA-N 435.532 2.425 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722627540 XNDZXWUVCDHLMA-UHFFFAOYSA-N 425.537 2.271 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722632702 CXUZSNYLNHTQCR-VGSWGCGISA-N 442.568 2.053 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C)CC1 1722693160 FOUIGKWNPXLDCT-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](OC)C1 1722724113 NWBVSAHPDZQNEC-QAPCUYQASA-N 438.525 2.383 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1[C@@H]1C[C@H]1CF 1723613029 VBBDDMLBAGWWLG-MAUKXSAKSA-N 429.475 2.284 30 10 IEEE CCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1727909357 DRNVYPSXUYBXIP-FGZHOGPDSA-N 442.543 2.445 30 10 IEEE CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729218059 DVDITJWFEHQORB-IBGZPJMESA-N 446.577 2.180 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1740671246 BSQXQMSYDJYTEM-QGZVFWFLSA-N 428.558 2.380 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1740721537 LXOFNVOANFLUIZ-JOCHJYFZSA-N 439.541 2.091 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740744698 FMBVBMMQJUCHPO-HNNXBMFYSA-N 426.359 2.385 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740884293 WFTRTNQMYVAMHS-GOSISDBHSA-N 426.521 2.102 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCc1n[nH]c(C)n1 1740917474 TWBJMOGFBAHDRV-UHFFFAOYSA-N 445.531 2.134 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C(C)C 1740937253 CWDDDYJLJVSAEU-LAUBAEHRSA-N 436.578 2.415 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(OC)CCOC2)c1 1748692503 YDDUADLPGQURNP-XMMPIXPASA-N 448.527 2.145 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2nc(C)ns2)CC1 1748760255 XOORDINGYIATMW-UHFFFAOYSA-N 439.593 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCCC1 1748836276 SLJITCDKYVQPJQ-QFIPXVFZSA-N 443.559 2.114 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](c1ccco1)N(C)C 1748852748 LSKDQJFHSKGHOO-FQEVSTJZSA-N 427.512 2.485 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1748855621 FEOABALSGYEXBS-IBGZPJMESA-N 439.564 2.468 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccco1)N(C)C 1748917344 VQQKVFVUGYIEKY-LJQANCHMSA-N 431.504 2.276 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[S@@](=O)CC)CC1 1748987569 XYWAARMFZSYUAT-HKBQPEDESA-N 438.557 2.124 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(C)=O 1749051351 FUKVJXCDRQKPBN-JOCHJYFZSA-N 442.951 2.380 30 10 IEEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1749110092 GGPSFIMHCOZBOK-UHFFFAOYSA-N 426.702 2.355 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749752222 LTCBSQDYOQDOGA-GOSISDBHSA-N 426.550 2.449 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1750008149 NMOSIZGOEDWUCJ-VQIMIIECSA-N 429.521 2.007 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCCc2ccccc2)C1 1750378983 AAEJHRZKSSPTLE-XMSQKQJNSA-N 426.496 2.321 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1751094149 FGCIHTNIDCQWMJ-OAGGEKHMSA-N 431.541 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)[C@@H](C)CC 1760102105 FEOZKOXNUFEWEY-ZWKOTPCHSA-N 446.621 2.384 30 10 IEEE C#CCCCn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1760159747 ONTXZJQRZNJVHS-GCJKJVERSA-N 428.537 2.494 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1760188387 KKXCKLWTRAXUOU-LSDHHAIUSA-N 430.559 2.160 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1CCCO 1760241781 JOHIKDDXRGNWTQ-IFMALSPDSA-N 441.551 2.408 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(Cl)nc1 1760245558 HXIBILWOPJNNSN-UHFFFAOYSA-N 449.906 2.104 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(F)cccc2SC)CC1 1760258519 YXRLNSDAAAKQJB-UHFFFAOYSA-N 425.537 2.343 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(CC)CC)N(C)C 1760289246 NHKCNXDSVPTTPX-YRISNDGFSA-N 438.642 2.247 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)C1CCC1 1760299131 IJCSISGPBHMHCT-SFYKDHMMSA-N 429.565 2.301 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760345312 STIINUWMJGPCNM-IAGOWNOFSA-N 427.484 2.345 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760372429 JHOZXMXJPJEDAH-MRXNPFEDSA-N 446.987 2.000 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760410985 YHCYCVMIJWDUSV-JOCHJYFZSA-N 438.536 2.152 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(OC)CCOC1 1760505523 WMSOZPFHLPMPHB-KNQAVFIVSA-N 430.505 2.235 30 10 IEEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1760775248 PTXNBURRSXBBKQ-HRAATJIYSA-N 434.516 2.481 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCSC1(C)C 1761477376 CTKQGDXUXDGNBT-DZGCQCFKSA-N 426.612 2.160 30 10 IEEE CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cccc(C#N)c2)CCC1 1765606320 FXNSUSMAXRLOHX-UHFFFAOYSA-N 437.548 2.231 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1767627419 VULJVBNTMAVIFQ-VXKWHMMOSA-N 442.495 2.176 30 10 IEEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1767830819 ZKLIUXKDUQFQOU-UHFFFAOYSA-N 443.552 2.199 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCc1cnn(C)n1 1767964355 AZARQPJVRNAFJT-HXUWFJFHSA-N 436.520 2.025 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1771177085 XAPLXJPGRUEZLZ-ZNUSLJCYSA-N 446.552 2.153 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1772889316 YAKOWMPTUHVXAF-VGUOSERISA-N 441.532 2.394 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1772891792 RKWWWCXEDFCJOB-AHRHJZQMSA-N 435.463 2.137 30 10 IEEE CCn1ncc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1C(F)(F)F 1851115203 IHDZYHXCGWUEBX-UHFFFAOYSA-N 432.410 2.064 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852179221 DBXHPVMLQWIWTD-IBGZPJMESA-N 443.548 2.408 30 10 IEEE Cc1ccc(-n2c(C)nn([C@@H](C)C(=O)N3CCN(c4ccccc4C#N)CC3)c2=O)cc1 1852397177 MDQUYEDOJOJQBB-SFHVURJKSA-N 430.512 2.432 30 10 IEEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855019698 VEJSYXWPKCGCFA-GDBMZVCRSA-N 439.343 2.419 30 10 IEEE C[C@@H]1CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCS1(=O)=O 1855852564 GUVRYJFDGFATTO-RDTXWAMCSA-N 437.949 2.046 30 10 IEEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856091929 GFUAQGGIRYUELV-LLVKDONJSA-N 448.328 2.063 30 10 IEEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)N=c2[nH]nc([C@H]3CCCO3)s2)CC1 1860629182 WKJMEIUBXFPWKK-RBUKOAKNSA-N 444.557 2.499 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 1860723176 IITAAMVQJIMEFN-FNORWQNLSA-N 427.409 2.498 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)CC)C2=O 1861534646 GWTCXAFWMYGWRI-VFNWGFHPSA-N 449.507 2.430 30 10 IEEE CCCCN(CCO)C(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869929233 CPHCOXWBUJJDQA-IBGZPJMESA-N 447.532 2.097 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN1CCC(O)CC1 1870424130 BFXBEOFHXVKOGV-UHFFFAOYSA-N 441.528 2.326 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889403949 MDIMHZDNCQYNRK-JKSUJKDBSA-N 425.514 2.350 30 10 IEEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)nn1-c1ccccc1 1889499466 WGDDCFOMWOCVBW-UHFFFAOYSA-N 435.572 2.053 30 10 IEEE Cc1c(Br)cc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c(=O)n1C 1890201394 XFFORKNIJZVALB-UHFFFAOYSA-N 431.290 2.407 30 10 IEEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCC(Oc4ncccc4C#N)CC3)cn2)cc1 1891460971 AJDLIJROTSOXTC-UHFFFAOYSA-N 445.479 2.256 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634791 DNGJRKRSIYVTBV-IRXDYDNUSA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)CC1 2068913164 WCJJVORZGDTMMM-UHFFFAOYSA-N 435.374 2.329 30 10 IEEE CN(C[C@@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2224092778 JJCCDEJMJOETKQ-MRXNPFEDSA-N 433.358 2.453 30 10 IEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224129471 GQVMDGCDIRLBTQ-CJNGLKHVSA-N 436.314 2.214 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2247832149 KMSJFZYMZVCTFN-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255710288 IQXHBJIORIOOQM-RHSMWYFYSA-N 431.342 2.395 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255866753 UVTBVOUUDVJOJI-UHFFFAOYSA-N 434.346 2.057 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256926659 BWGWKDOCCZVKBW-CJNGLKHVSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2258956223 CUXVPISIDQKXHM-IRXDYDNUSA-N 436.358 2.305 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167211 CMMPEOUEXDOYFB-GOEBONIOSA-N 446.357 2.294 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267171975 RCKMSAPOHLRJME-AWEZNQCLSA-N 448.373 2.187 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267224027 NHKRUNMOMUMLLI-QWHCGFSZSA-N 441.259 2.052 30 10 IEEE Cc1c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493620 KXDVAPYFPSVFJT-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE Cc1c(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267511069 WPTDEEQMHIQONM-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2267513223 UONYQJQACBNWPC-BYNSBNAKSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CC(CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267522819 YURMHCBVYBAPEV-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267550844 FIPIXSDASPCKLL-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268636472 DFQOGZJVVGMBFJ-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1c(Br)cccc1C#N 2269728224 TXQQVECIZZQZKI-SFHVURJKSA-N 426.311 2.413 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2271437368 YZBBMDSLPCEOIC-HNNXBMFYSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278783141 FALYGXCIAYUJBO-GOSISDBHSA-N 442.331 2.452 30 10 IEEE Cn1c(Br)nnc1CCNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284352186 USIOSZJVPPHETC-UHFFFAOYSA-N 426.099 2.066 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335412838 INGJXRINVDARAF-CVEARBPZSA-N 445.379 2.327 30 10 IEEE CS(=O)(=O)C1(C#C[C@H](NN)c2scc(Br)c2Br)CC1 2342090097 LICGAICFEMSXEP-QMMMGPOBSA-N 428.171 2.358 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C(=O)OC)ccc3C)cc2C1=O 9701709 SLUNSJQULGHJCX-UHFFFAOYSA-N 436.420 2.359 30 10 IEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)NCc2ccccc2)c1=O 21655684 DFNLUXTVJLJBLL-UHFFFAOYSA-N 439.541 2.112 30 10 IEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cn1 59830064 YDSBPKPXSDTHPN-ZVBGSRNCSA-N 425.522 2.168 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1 105265679 CIQWOYCSXAAUHA-UHFFFAOYSA-N 429.952 2.262 30 10 IEEE CN1CCN(c2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc2[N+](=O)[O-])CC1 170498114 CWCYUPMDFRPQMS-UHFFFAOYSA-N 432.444 2.051 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc3c(c2)OCCO3)C1 203598381 FJCKXHGWSDDRAR-SCGCMHLBSA-N 435.484 2.247 30 10 IEEE CC(C)(C)NC(=O)CCN(N=Cc1ccccc1O)C1=NS(=O)(=O)c2ccccc21 254751158 ZAOGMDQYCJFTLM-UHFFFAOYSA-N 428.514 2.482 30 10 IEEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCN1CCO 427406214 HKHHNVLFSODCDI-OAHLLOKOSA-N 442.903 2.467 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)C2=O)cc1 437852853 RKDPKMCVNRJUAQ-QHAWAJNXSA-N 437.544 2.140 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 443467351 RABHBABIDINXMK-CQSZACIVSA-N 426.336 2.344 30 10 IEEE COc1cc(N2C[C@H](C(=O)NCCOc3ccc(C#N)cc3)CC2=O)cc(OC)c1OC 460275555 GYZKMJPEZVROPS-MRXNPFEDSA-N 439.468 2.132 30 10 IEEE CCCn1c(COc2cccnc2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 477063882 UAYRWJYNSOFKJZ-UHFFFAOYSA-N 441.513 2.313 30 10 IEEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 480319080 MBMBMGZTILHEMZ-OAHLLOKOSA-N 436.925 2.333 30 10 IEEE N#CC1(NC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)CCN(Cc2ccccc2)CC1 482710450 PXWLWUDLKCDZLE-UHFFFAOYSA-N 426.480 2.464 30 10 IEEE N#Cc1cccnc1N1CCN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CC1 506918684 TWLRCVJZZNIJGK-UHFFFAOYSA-N 437.504 2.196 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508828158 UKIMHANDBKPJMQ-CYBMUJFWSA-N 430.875 2.456 30 10 IEEE C[C@](CO)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Br)cc1 511285267 AIPWPQGKVJKYQY-MRXNPFEDSA-N 440.275 2.415 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(F)c(F)c3)c2=O)cn1 523580149 SPEZRKCDGUFOTK-UHFFFAOYSA-N 440.475 2.266 30 10 IEEE COCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)c1ccc(C#N)cc1 525598989 RTZHBPJBMHTYRK-GOSISDBHSA-N 446.529 2.243 30 10 IEEE COCCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)c1ccc(C#N)cc1 525598990 RTZHBPJBMHTYRK-SFHVURJKSA-N 446.529 2.243 30 10 IEEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccon2)c1=O 531684193 UWCGTPIJTNVTGZ-UHFFFAOYSA-N 435.505 2.217 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2cc(C)ccc2F)c1=O 533120336 GARDTACGPHKIJE-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE COc1ccc(C(=O)NCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1OC 541155101 GKKQMHIWELQZNN-UHFFFAOYSA-N 436.512 2.108 30 10 IEEE Cc1noc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCCO3)CC2)n1 549650726 OAECBXQCPMPFKH-FQEVSTJZSA-N 448.531 2.400 30 10 IEEE C=CCc1ccc(OCC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(OC)c1 554099005 MRHXKGMFAONIGE-SFHVURJKSA-N 430.526 2.382 30 10 IEEE COc1cc(CNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1C#N 570255073 XARMMKJKVBAOSY-UHFFFAOYSA-N 442.541 2.360 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1-c1ccc(F)cc1 582760325 FISFEEQSZSKWGI-UHFFFAOYSA-N 449.507 2.076 30 10 IEEE CCCCS(=O)(=O)OC1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 586508197 JWLLGOGEUKOGFU-UHFFFAOYSA-N 446.591 2.124 30 10 IEEE COc1cccc(OC)c1OC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586859246 XLPHYHMXAXXVNY-UHFFFAOYSA-N 441.459 2.401 30 10 IEEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 728028281 CLNPBAZJFFCLNO-JXMROGBWSA-N 430.464 2.495 30 10 IEEE COC[C@@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 730138998 PCSPVEXEFBORJL-KSSFIOAISA-N 438.569 2.416 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1F 732013106 PDCHFOZRWIEVGX-AWEZNQCLSA-N 427.498 2.029 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1nnc(SCc2ccccc2)s1 732413837 CCXAOJAENAEHQZ-CCEZHUSRSA-N 430.515 2.478 30 10 IEEE C[C@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)N(C)CC(=O)NC1CC1 734585014 MODBYXCLKARZJR-INIZCTEOSA-N 435.480 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CCc2nc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)sc2C1 735842544 BBLYVHXIXIQOQJ-MSUUIHNZSA-N 447.517 2.291 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 741635899 XFASXBSTFJTEPR-OAHLLOKOSA-N 435.477 2.482 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2cccc(OC)n2)C1=O 748035372 FLLQGXJORFVOBK-KRWDZBQOSA-N 441.513 2.316 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC(=O)c2cccc(C#N)c2)cc1 748234741 BSRROEYQHPWXAY-UHFFFAOYSA-N 430.482 2.394 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 750267482 WSNYSBBGGNCYOR-GSXJYVHKSA-N 432.546 2.087 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)c3cc(-c4ccco4)nc4c(C(N)=O)ncn34)CCO2)c1 762300533 SOCIXTFRJHUAFX-LJQANCHMSA-N 442.435 2.174 30 10 IEEE C[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763379068 ABNSHACIXGYXIH-WZHXCRBMSA-N 434.537 2.302 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 763466966 ROEUCJCFQLRRAY-IBGZPJMESA-N 427.482 2.305 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)OC)cc1 766160401 LAJYQSXUYBZVFP-LJQANCHMSA-N 428.510 2.268 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 780632395 ZBKNABMFCVCFFD-IBGZPJMESA-N 429.498 2.169 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 789959848 LEILNORRNHGVLL-GOSISDBHSA-N 429.521 2.118 30 10 IEEE Cc1ccc(CN(CCO)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)o1 797616897 ZVKBWCHJBAOKEM-QOCHGBHMSA-N 434.518 2.427 30 10 IEEE COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)c2C)cc1 798744141 PZYBZMHEXUHAHV-HNNXBMFYSA-N 435.440 2.331 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c1 801114519 SPPOOSJVPJWMAT-UHFFFAOYSA-N 441.528 2.405 30 10 IEEE CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 804651130 IEFZHNDJGXRNLT-QBEKEKFNSA-N 432.521 2.153 30 10 IEEE COC1(CC(C)=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCC1 814696323 DATRXRBZXNENDA-UHFFFAOYSA-N 426.495 2.363 30 10 IEEE Cc1nccnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 814707864 YQPLGNOJPQMPOC-LJQANCHMSA-N 434.525 2.500 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3cnn(C)c3)C3(CO)CCC3)ccc2c1=O 816687428 YZBBZLPYPFBROA-GOSISDBHSA-N 439.541 2.238 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CSc3ccc4c(c3)CCC4)CC2)o1 914684002 RUUREPBHTIZGDH-UHFFFAOYSA-N 440.525 2.328 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 916774894 GONPKWGVQLQWKA-UHFFFAOYSA-N 449.444 2.207 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cn1 1084610914 DLRRQSVHPHEKIQ-UHFFFAOYSA-N 435.464 2.224 30 10 IEEE CCCN(C)C(=O)[C@H]1CSCN1C(=O)COc1cccc(Br)c1C#N 1125917171 CFDIHTHUEZZYIP-CQSZACIVSA-N 426.336 2.469 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1132643340 KCLMHUVLEZXSAH-NRFANRHFSA-N 434.521 2.114 30 10 IEEE C#CCN(CC#CC)C(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1137013117 QZLKMNDZFUUGGH-UHFFFAOYSA-N 428.488 2.467 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)cc1 1138042355 GMEMBPPQHNMVCA-UHFFFAOYSA-N 434.468 2.370 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 1139133570 ZOYPDTXOVRSPHA-MRXNPFEDSA-N 447.377 2.328 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@@H]1CCCO1 1157552611 MARKNYHQNPIORZ-ROUUACIJSA-N 449.573 2.082 30 10 IEEE C#Cc1cccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)c1 1161804216 SGSUADFVQYDQOS-HXUWFJFHSA-N 428.510 2.014 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1164154951 GMUIEJFWUAEBAM-UHFFFAOYSA-N 436.537 2.126 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)n(-c2cccc(F)c2)c1C 1171954571 KYAWAYADENBQIN-CQSZACIVSA-N 447.536 2.009 30 10 IEEE C#CCn1cc(CNS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 1192327824 NWJOCLQTZBNTJI-FQEVSTJZSA-N 430.530 2.127 30 10 IEEE C#CCC1(NC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CCOCC1 1227394550 OFFQCMDYMABJEX-UHFFFAOYSA-N 429.517 2.180 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2)c1 1227921678 FZFVWLZWNWTFDU-LJQANCHMSA-N 439.482 2.085 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ncc(Br)s3)C2=O)cc1 1248375123 IRROTANVSCTQNC-ZDUSSCGKSA-N 434.319 2.378 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCSC2)c1 1286309305 JPJLJPPWSPDJEC-KRWDZBQOSA-N 435.557 2.488 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Cl)cn1 1286423810 WQNYDCUVHLTPGQ-OAQYLSRUSA-N 430.940 2.332 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(=O)OC)CC1 1286447148 LVPYMZDDNSTLBX-UHFFFAOYSA-N 435.532 2.455 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286631925 BAMQFNUOMHHSEI-UHFFFAOYSA-N 428.928 2.420 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286785377 DQBSNJMWXLHGFN-KRWDZBQOSA-N 430.578 2.029 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nncn2C)C1 1286813574 XQHQWZJHASENDM-KRWDZBQOSA-N 429.912 2.469 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCOC1 1288287013 USKAQAQTVDKBGX-NFBKMPQASA-N 441.532 2.242 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)NC3(C(=O)N4CCOCC4)CCCCC3)C2)c(F)c1 1289747281 BUECDIYQIRDTKZ-SFHVURJKSA-N 428.508 2.202 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1296286530 XRNBQQHLAIFTFO-XPTLAUCJSA-N 449.555 2.116 30 10 IEEE C=CCN(C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)[C@H](Cc1ccccc1)C(=O)OCC 1296420710 NFGFQKCUOGTWKA-HXUWFJFHSA-N 449.511 2.375 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCC(C)(C)C1 1297188771 OJPQZPIAYRLIRZ-UHFFFAOYSA-N 439.564 2.472 30 10 IEEE COc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1300151476 CTOBRUQAROXYBE-FQEVSTJZSA-N 434.500 2.253 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCOCC1 1300267761 JWAMLRYFWPJVTB-QZTJIDSGSA-N 442.589 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)Cc1ccccc1 1300330262 WQMJTCMMTTXCNY-CUWPLCDZSA-N 425.533 2.119 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300488095 OOQGUFXUHMPJPY-OALUTQOASA-N 444.605 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300655405 WNKHFQBYPRCQAL-UTKZUKDTSA-N 431.924 2.418 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 1300725743 JHEGDOHJTZXHIM-MSOLQXFVSA-N 431.606 2.280 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)N1CCOCC1 1300889947 DNTUKUIYTAWIKF-GHTZIAJQSA-N 445.589 2.207 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1301297124 MCQPGXXGKCXJGE-RBUKOAKNSA-N 449.577 2.011 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1301528875 GCFGXFXOVXRKKI-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cnc2ccccc21 1302095882 FTRVSTPMEOSYKD-ZWKOTPCHSA-N 439.520 2.171 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)no1 1304224771 CHTBDZUPMGFLFZ-KRWDZBQOSA-N 435.488 2.165 30 10 IEEE COc1cc(C(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)ccc1OC(F)F 1304491528 RGQCSUSBUGAPJO-UHFFFAOYSA-N 436.440 2.127 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1314542259 RUSRQSKHDLENRR-IAGOWNOFSA-N 446.577 2.102 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1C[C@@H]1C 1316205124 BRLIRGNVSVTDGT-SCTDSRPQSA-N 425.537 2.251 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)N(C)C 1316213610 QYQRDWSYOSOXFP-DBXWQHBBSA-N 442.564 2.402 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C1CC1)N(C)C 1358874890 GBPZKHQDQCACDG-CRAIPNDOSA-N 443.621 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1358891156 ZTQPELHJTJFRPK-OKZBNKHCSA-N 433.578 2.314 30 10 IEEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1358927017 KBVNBCPYDJJGBA-UHFFFAOYSA-N 426.546 2.312 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358962701 VBILFQGAYUBZSX-KKSFZXQISA-N 448.976 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1358995067 DELDTABSIJTIEC-LJQANCHMSA-N 428.533 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCC)CCC2)CC1 1359045132 XYGXEFTXLRJANM-GOSISDBHSA-N 426.565 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCCSC)CC1 1359046059 CFPKSDKAVIPIRR-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C(C)C)C(C)C)CC1 1359047666 OPDANVHNFGLLLV-HXUWFJFHSA-N 430.597 2.214 30 10 IEEE C#CCSCCn1c(N2CCN(c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1359062004 SSEMQKBOBNURDB-QFIPXVFZSA-N 442.589 2.018 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359070056 DNFUICVBOFUGQA-DCLXLUIPSA-N 442.608 2.107 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359310551 ZDJRYIORQKRVSP-OALUTQOASA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(C)nn(C)c2C)C1 1359326896 MIRRDVULCWWFJQ-NSHGMRRFSA-N 430.553 2.182 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)CC1 1359328031 RAXLCBVIWYUWRP-HXUWFJFHSA-N 445.589 2.089 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1359332875 JDGIFFLTPRJILI-UHFFFAOYSA-N 447.605 2.464 30 10 IEEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1360562439 BCGDFEHJLNCGKB-KNQAVFIVSA-N 437.592 2.316 30 10 IEEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1462989414 OZNODQDOGNCTIN-LIRRHRJNSA-N 436.896 2.043 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)cc(OC)c1OC 1464575748 ZUIUWPMRRGYVEH-MJBXVCDLSA-N 432.395 2.377 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1=O 1471647521 DFYYCBSLRRNYAQ-UHFFFAOYSA-N 441.337 2.268 30 10 IEEE COC[C@@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C#N)CC1 1504594911 MIQPVFMOTIXJFE-INIZCTEOSA-N 449.556 2.271 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C)cs1 1504883833 FFWHTCREPNFTRM-UHFFFAOYSA-N 426.506 2.105 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1504997938 GTZNNKOGUUYPNA-QRVBRYPASA-N 434.585 2.241 30 10 IEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507568394 WGTZWNJJWVDOQA-IBGZPJMESA-N 429.590 2.451 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CCOCC2)CC1 1507570614 ROQIVCFKLIQVLL-UHFFFAOYSA-N 439.608 2.492 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507571735 LIXVYJUJQDOXAR-UFYCRDLUSA-N 431.581 2.499 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507710172 KXVLTDGGWLFGCK-GOSISDBHSA-N 443.552 2.370 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2c(C)noc2C)CC1 1507715432 AXPQBZYSDRYIEP-MRXNPFEDSA-N 448.531 2.089 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1507752979 HCDUVHKHGBEIOW-RTBURBONSA-N 432.638 2.024 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1507762248 RJCLTCVCNSVNOF-HXUWFJFHSA-N 428.924 2.268 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507843738 SLECADHAYCTVMR-AWEZNQCLSA-N 429.443 2.170 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507845021 VMVZINCUUJXENP-CVEARBPZSA-N 445.486 2.270 30 10 IEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507866982 DTZWXRPWZGQLMT-MRXNPFEDSA-N 434.953 2.283 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508162294 MWMIUMUTSLIODX-ICSRJNTNSA-N 428.606 2.340 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)C(C)(C)C 1517861067 BDPSQGPARKJPSE-SFHVURJKSA-N 449.577 2.271 30 10 IEEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1518977581 BSMAZOPFIIRYLO-TXTKFYIRSA-N 441.532 2.367 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1521083152 SVHPDBBUYYCUMZ-BBWFWOEESA-N 437.422 2.124 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1528714277 IUAGFAMYJDIFFE-AWEZNQCLSA-N 430.306 2.196 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC(O)CC1 1538992885 AHBRNPVOSNAJSU-QGZVFWFLSA-N 425.533 2.021 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1539045116 PZNMOYOCCDMGMO-UHFFFAOYSA-N 442.951 2.367 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CO)CC1 1539095657 IUURJHNSROIGQI-UHFFFAOYSA-N 430.578 2.169 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539133461 IDMIUALODFFTGY-SFHVURJKSA-N 448.531 2.111 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539230205 DBELUNYJHYKYJY-MOPGFXCFSA-N 446.573 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)SC 1539408983 KPJDJUHLMGCCJV-OAHLLOKOSA-N 426.546 2.030 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539786406 OWSVZIFKQNZFTA-UHFFFAOYSA-N 449.342 2.278 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1540863225 RLLPLKDMBSATME-LSDHHAIUSA-N 446.939 2.075 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCOc2ccc(C(N)=O)cc2)n1 1542721784 YHWRYLSHRDPTJW-UHFFFAOYSA-N 444.542 2.307 30 10 IEEE N#CCCN(C(=O)CSc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 1542848680 FOHPSIIPXQPKIH-UHFFFAOYSA-N 433.511 2.144 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1555328300 KDUUROVATWPJKI-UHFFFAOYSA-N 436.472 2.389 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1555524339 DKNOLRRENYTOIN-FQEVSTJZSA-N 448.575 2.197 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cn2)CCO1 1555993808 CAYGMENZJCONBZ-QGZVFWFLSA-N 425.880 2.120 30 10 IEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1NC(=O)OC(C)(C)C 1556131940 AOYPWFIDQFQWEZ-JSGCOSHPSA-N 434.497 2.256 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 1557226821 QUAODDMUVYFNLA-SFHVURJKSA-N 441.557 2.495 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1566543575 GFQRYUHKCIFJHC-LSDHHAIUSA-N 449.943 2.197 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1569207497 IOPLJRXWTUNSPN-RTWAWAEBSA-N 443.525 2.197 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1583612016 LZPMWJAKYRYESJ-CYBMUJFWSA-N 429.336 2.000 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cc(C)on2)c1 1587690050 YBFFDBPPUDDLBZ-UHFFFAOYSA-N 430.472 2.080 30 10 IEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C)C(=O)C1 1587817909 KPBNATYLSRDGQO-UHFFFAOYSA-N 432.322 2.408 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1587823813 ZVCNEEQIGXONAK-UHFFFAOYSA-N 448.487 2.392 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)nc2)CC1 1588751188 JGZZCEIQGYPYPJ-JOCHJYFZSA-N 444.967 2.171 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccc(F)c2)CC1 1588865381 WHDRTUZYMKOQIV-UHFFFAOYSA-N 438.551 2.273 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1593660952 WUPUXXQTNDGXHK-UHFFFAOYSA-N 440.523 2.468 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595543944 CEUVPWWLGWUJFP-DLBZAZTESA-N 448.568 2.315 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CCCO)CC1 1595550975 KIXDPCBJSWJESK-FQEVSTJZSA-N 441.532 2.082 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3nnc4n3CC[C@H](C(F)(F)F)C4)cc2C1=O 1595995320 FXFVJGBCPAWHKB-LBPRGKRZSA-N 433.390 2.115 30 10 IEEE COc1cc(C#N)ccc1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1598111609 MOJSANWBNVXBSX-INIZCTEOSA-N 430.505 2.060 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1COCCO1 1603668787 GGBRZBMUYRLUHS-KRWDZBQOSA-N 428.512 2.229 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2cnnn2C)CCOC1 1610348440 MYABMRDMAXPZSW-QFIPXVFZSA-N 436.520 2.004 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC(F)F)CC(=O)N1C 1612977508 DZORGWIBYLRLMI-HNNXBMFYSA-N 448.474 2.067 30 10 IEEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1615438232 FAYIPJRTEFVHQH-IBGZPJMESA-N 430.578 2.172 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1615742653 QPUFKEIFXDESPF-UHFFFAOYSA-N 436.520 2.108 30 10 IEEE C=CCN(C(=O)CS[C@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1616306077 UDYOAQGKNNYVER-ROUUACIJSA-N 425.572 2.096 30 10 IEEE C=CC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1618573364 MYQYYFDYAWBWSD-ZWKOTPCHSA-N 433.574 2.495 30 10 IEEE C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 1620311022 XDHSIHZMRYZGPI-NVXWUHKLSA-N 440.552 2.363 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1622819443 FCQAVWYWOCFYRP-GOSISDBHSA-N 446.573 2.327 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 1625395326 AICUTFHIGWYCEB-UHFFFAOYSA-N 443.544 2.175 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1626112551 YVYNHKRZNCLMSN-SJLPKXTDSA-N 437.562 2.166 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)C#Cc3cccs3)CC2)cc1OC 1629147287 RUNXTAHMBZZCOA-UHFFFAOYSA-N 448.566 2.334 30 10 IEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](CC#N)C2)c1 1629175199 OVTLXTLUTIFGIG-ZDUSSCGKSA-N 444.351 2.140 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)s1 1629584030 LIDQXAPGZLYKMM-UHFFFAOYSA-N 434.499 2.057 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 1634432843 BLNDHKGFZVHXDH-QAQDUYKDSA-N 435.546 2.164 30 10 IEEE O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N[C@@H]1CCCN(O)C1=O 1637668025 TXNBXPRTBONALW-OAHLLOKOSA-N 427.486 2.175 30 10 IEEE Cn1ccnc1[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(C)(C)CO 1640112464 CFOLUHUOUWBPTK-GBXAEXGJSA-N 445.564 2.383 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1640491567 NZGDYKOWSSLNHY-IAGOWNOFSA-N 434.541 2.375 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCCN(CCCO)C1 1640965897 ZQZUVSMSWGSRCK-FPOVZHCZSA-N 442.560 2.356 30 10 IEEE N#Cc1ccc(NCC(=O)N2CCC(n3nncc3I)CC2)cc1 1641463153 RZBPGOXRHYBDMH-UHFFFAOYSA-N 436.257 2.030 30 10 IEEE C[C@@H](CC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1643014605 DESLLQBSJYEVGQ-PMPSAXMXSA-N 449.573 2.330 30 10 IEEE C#CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1643015746 OJECCAZDEFOBLV-IBGZPJMESA-N 441.553 2.170 30 10 IEEE CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)CCCC(=O)Nc1ccccc1C#N 1648244519 KMZNTZIBDWCEOL-KRWDZBQOSA-N 432.521 2.353 30 10 IEEE COc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)NCc1ccccn1 1648969063 VCGCMVOBFCSVRA-AEFFLSMTSA-N 428.514 2.333 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)N(CCO)C[C@@H]2C)n(-c2ccc(F)cc2)c1C 1653938464 OZGLAXXJTRPVGE-CVEARBPZSA-N 427.524 2.430 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1656404602 GLDKXJYDDXROGC-RTBURBONSA-N 438.546 2.462 30 10 IEEE CC#CCN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1657708133 OECCOBWVIVLFLJ-UHFFFAOYSA-N 449.621 2.346 30 10 IEEE COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1670996071 HPKUMBQQWOVHDW-UHFFFAOYSA-N 435.452 2.442 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)c1 1684354705 XHDHRQOJSNIPCP-HSZRJFAPSA-N 435.528 2.407 30 10 IEEE CCC1(N2CCOCC2)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1686056562 ZPXFUORQIJSATD-QZTJIDSGSA-N 435.569 2.032 30 10 IEEE C#C[C@H](NC(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccc(Br)cc1 1686784514 OVECWMDSRWGVER-IBGZPJMESA-N 449.393 2.219 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(CC)nn(C)c2CC)CC1 1690122661 YEWCRPCFQLJESY-UHFFFAOYSA-N 432.576 2.310 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCSC2)CC1 1690137845 KJPPCRONURZYGZ-QZTJIDSGSA-N 449.621 2.111 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1690228619 BCCRWKGHEGESHW-AWEZNQCLSA-N 428.356 2.219 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690234359 BRIBGYNLVIMXKM-JKSUJKDBSA-N 426.359 2.197 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1690240587 HWKRSTKZNUXCGF-WBVHZDCISA-N 437.953 2.210 30 10 IEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690284513 FPYKHKDTQIBQDT-UHFFFAOYSA-N 430.509 2.497 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690411193 HKSVHVJKGBXOLQ-SFHVURJKSA-N 431.562 2.075 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1690481473 GRDHDYKFJDLYBF-UHFFFAOYSA-N 436.520 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1690668569 AKDZEEZEQFPGPQ-UHFFFAOYSA-N 449.515 2.094 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)C1 1690684488 GROATPRZJPROOC-CABCVRRESA-N 434.447 2.131 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690719043 GFEUYKCBCIULPJ-QZTJIDSGSA-N 447.605 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690723085 HDLPLTKDSBONQB-SFHVURJKSA-N 447.609 2.271 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1693976830 WPAHKCYPNNMXAG-LIRRHRJNSA-N 436.520 2.275 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694089812 GUEHPHHIGDYSCR-UGJKGHESSA-N 441.580 2.383 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1696058729 AFZQQFGMYJUDSO-IRLDBZIGSA-N 430.553 2.106 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)OC 1697758099 VTKMPWRKKDUXEK-PMACEKPBSA-N 440.548 2.219 30 10 IEEE COCc1nc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cs1 1697833459 GALQSVGSJRJKIX-HNNXBMFYSA-N 444.492 2.376 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(N2CCCC2)CCOCC1 1698228444 WJFKOIUQJIZXPY-AABGKKOBSA-N 446.596 2.385 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1ccco1 1698248403 WAJAXEAFGXJATR-SGXKBVARSA-N 442.520 2.155 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCO)C1 1698483405 BKAUBIXQXXHPQX-OAQYLSRUSA-N 428.516 2.057 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCc2ccco2)CCO1 1698494792 ZJJHUPOOVFIPGQ-OAHLLOKOSA-N 426.864 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C1CC1 1705481512 IALPZZMZNUBTMB-DNVCBOLYSA-N 431.562 2.078 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705538669 WREPKLSBEAXDCK-KRWDZBQOSA-N 442.589 2.426 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC(C)CC1 1705576032 DLEVZRNYKOPLAM-UHFFFAOYSA-N 439.585 2.153 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705648562 UNBROLGWKLGODX-IBGZPJMESA-N 440.592 2.160 30 10 IEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1705683401 HACMVAFUGLINPG-GOSISDBHSA-N 434.294 2.284 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC(C)C)CC1 1705700528 UZFKNAGCTVFTDN-CTNGQTDRSA-N 441.580 2.263 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705726733 CAUNOAFDVFOVFP-KRWDZBQOSA-N 436.607 2.214 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705761927 GFVSZXODUAZEFZ-UHFFFAOYSA-N 431.562 2.219 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705831940 IIHOEJJGYMGGEW-SFHVURJKSA-N 427.505 2.399 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1705884075 FMKWGWCLDRCWIE-RBUKOAKNSA-N 429.569 2.213 30 10 IEEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705893399 HGHKPFYOWPBGBK-AVRDEDQJSA-N 432.569 2.087 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705902719 MDSSBMYCOPKDDQ-QVKFZJNVSA-N 431.924 2.285 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)C1 1705924680 FMFYMRSJSVVUQE-OALUTQOASA-N 438.594 2.168 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705944269 ZXGOELNIWDVTJB-KRWDZBQOSA-N 441.561 2.040 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1706076552 FTNYBZGMWLWMHU-GCJKJVERSA-N 441.605 2.068 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1711165940 HRFOJVPOMFHJBV-HSZRJFAPSA-N 441.532 2.458 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CC2)c1 1722308726 FBOXJZCBISPGOP-KRWDZBQOSA-N 438.557 2.181 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722457421 DMEZAISUZVYZAF-KRWDZBQOSA-N 443.621 2.424 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1722463215 YTLQUCRXCDMNJM-UHFFFAOYSA-N 442.511 2.400 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1722675406 MEWFPPSFDQZPEN-XMMPIXPASA-N 439.560 2.441 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722741805 XMHPTLHPLJCKFY-QFIPXVFZSA-N 428.606 2.484 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723000636 RMUMKAISZQSPHR-SFHVURJKSA-N 429.569 2.322 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)CC#N)ncn1 1729736475 OSPKYULQJKNVRR-GVDBMIGSSA-N 425.541 2.369 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@H]1CCOC1 1740538492 HJADRKSDZYMHIJ-QZTJIDSGSA-N 446.573 2.250 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1740614690 ANTOJIXUTARPNA-QRVBRYPASA-N 446.596 2.087 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1740629013 YRVUAEIDUIATTM-FUHWJXTLSA-N 436.484 2.083 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)NC(C)C)CC1 1740691408 BXLBDXFCXKDPJM-UHFFFAOYSA-N 444.967 2.277 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740865333 LZPBOLFATDCQLN-MRXNPFEDSA-N 443.577 2.182 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740968479 BRRGJTFUFHPTOH-FQEVSTJZSA-N 425.533 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740995056 YMXPLPWYOSAWMS-RCCFBDPRSA-N 435.594 2.016 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC(C)C)CCO1 1741103346 BPLKLIZSMVHDJP-NRFANRHFSA-N 440.548 2.363 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1741134048 WTLCQOQATGCWPQ-DNVCBOLYSA-N 436.472 2.296 30 10 IEEE CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1744137413 HSOOFLUPOFJFPX-SFHVURJKSA-N 449.563 2.314 30 10 IEEE COc1ccc(F)cc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748846379 LPYIFVKWAWYCBQ-XMSQKQJNSA-N 445.495 2.243 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1749082611 CNZNXBYUADONAE-UHFFFAOYSA-N 448.369 2.349 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749083881 LSLUCDKDEAVPMO-BXUZGUMPSA-N 439.358 2.467 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749209492 ZSXKILWSYKVBQJ-SZMVWBNQSA-N 431.541 2.153 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(F)(F)F 1750021488 BPBYNIMTVHMGPD-CQSZACIVSA-N 439.442 2.158 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1750388204 LWPWRSKKQLJPNZ-OAHLLOKOSA-N 444.421 2.044 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1750389117 WLDIZMWJOHZHMC-OAHLLOKOSA-N 444.421 2.044 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760121847 YIEWHGLYUNPKLF-IAGOWNOFSA-N 432.569 2.361 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1N1CCOCC1 1760164986 GHXNUKFDOIEDPV-DEOSSOPVSA-N 439.560 2.273 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCOCC1 1760241248 UMTDFMVFJTYRKG-UHFFFAOYSA-N 436.491 2.301 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1760478793 RNJNAWRGKGJETA-PKOBYXMFSA-N 447.605 2.332 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760521388 RDLFULNGVGQZCS-FAFZWHIHSA-N 444.580 2.096 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760565458 XQFKAQYSRACMKI-ZDUSSCGKSA-N 431.484 2.496 30 10 IEEE CCc1nnc(N(C)[C@@H](C)Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1764697296 GUIOPVLZTWKOGA-XGNMISCSSA-N 438.532 2.443 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1768637554 GPAQCAQJLDMKQJ-FQEVSTJZSA-N 442.589 2.174 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)F 1768660080 PPMXPPXJIUJGHQ-MRXNPFEDSA-N 439.488 2.318 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1(C)C 1769113496 LMUKQHHYPRAWOD-AVRDEDQJSA-N 443.573 2.458 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncnn1C(C)(C)C 1772564033 KKBPTLYZMMZOIE-UHFFFAOYSA-N 436.568 2.469 30 10 IEEE COCc1c(C(=O)N2CCc3[nH]nc(C#N)c3C2)nnn1-c1ccc(C(F)(F)F)cc1 1850418636 BALNVRZPEALJBL-UHFFFAOYSA-N 431.378 2.226 30 10 IEEE Cc1ccc(C)c(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1 1851195809 DPYZBJJXDAKBAX-INIZCTEOSA-N 439.541 2.484 30 10 IEEE O=C(NCC#CCN1CCCCCC1)c1cccc(S(=O)(=O)N2CCSCC2)c1 1851664391 YTCNBKAMIVLPCX-UHFFFAOYSA-N 435.615 2.033 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1ccc(F)cc1 1852513519 KPGRDELGMYTLTM-HNNXBMFYSA-N 444.536 2.044 30 10 IEEE COCCN(C(=O)CCON=C(N)c1ccc(Br)cc1)C1CCN(C)CC1 1853445094 RFQUKZWUACPDPA-UHFFFAOYSA-N 441.370 2.045 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(F)c(Cl)c3)C(=O)C2)cc1 1854038265 QPTOJLMQELEOFJ-UHFFFAOYSA-N 449.891 2.343 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cc(F)cc(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854654558 BEWVLGLLGIDSNM-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)cc1S(=O)(=O)N(C)C 1858374840 QBJSIDBAWIHDJS-GOSISDBHSA-N 440.525 2.218 30 10 IEEE Cc1c(C(=O)Nc2c(C#N)nnn2Cc2ccc(C#N)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870110859 LRJLCNKQUIKYLL-UHFFFAOYSA-N 432.356 2.447 30 10 IEEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870350035 NCQMACZHBQGOCO-QZTJIDSGSA-N 438.528 2.044 30 10 IEEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870776555 SUMMMVOSFSZANX-UHFFFAOYSA-N 441.572 2.301 30 10 IEEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870908523 DNUFYWDPWDSIDE-UHFFFAOYSA-N 439.468 2.203 30 10 IEEE C=C[C@@]1(CO)COCCN1C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2022249652 IKYOLJGALOPBNO-AUSIDOKSSA-N 434.533 2.263 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060620682 DLUGORKJWIVQKD-NRKLIOEPSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060640593 WRMRGTRGJPWRLL-SIRPWMCASA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)[C@@H]1CCOC1 2060642571 YZNAAOULCHVBJP-ANQUJSFKSA-N 436.358 2.467 30 10 IEEE C=CCn1ncc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Br)c1=O 2106090387 DXWITJTYTRHPFO-GFCCVEGCSA-N 429.315 2.240 30 10 IEEE COc1nc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)ncc1B1OC(C)(C)C(C)(C)O1 2116149360 CCPSFZYYXCHPGO-OALUTQOASA-N 436.365 2.495 30 10 IEEE C=C(C)CN(CC)C(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195285362 GKFBDHUUKQBAHF-JJCDCTGGSA-N 438.546 2.318 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C)c1I 2242911853 XYXHSIVQXGSUAJ-JTQLQIEISA-N 432.262 2.270 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243419326 WOIVWDJJMKZTQA-RYUDHWBXSA-N 425.360 2.474 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244609457 ODUCGNBXWOQZBW-HNNXBMFYSA-N 427.542 2.286 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248395486 MDIORMVTRQDCTG-HNNXBMFYSA-N 440.371 2.203 30 10 IEEE C#CC1CC(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)(C(=O)O)C1 2255150500 IJWGKHFUPDNSRK-OVOLAFONSA-N 441.528 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255604385 LLARDSAFHMCGOW-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2255852192 AMHCNELWIQCPGP-HZPDHXFCSA-N 442.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2255872064 RIQFLDRWEKWXSS-KSFYIVLOSA-N 434.342 2.154 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[nH][nH]1 2256615406 ULAQCCKHSLQGQM-UHFFFAOYSA-N 429.286 2.125 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957089 KGWOWVKVKHOZET-IKGGRYGDSA-N 434.342 2.009 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267168465 RNGCWRNDPBMSKL-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267192533 SAKAUEWBRYAEKU-HOCLYGCPSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510646 OLXNVJIWDMCZJY-SFHVURJKSA-N 438.381 2.456 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529272 KKNRMUDXEYMNTM-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267586744 OAUGMJWJBNPMAN-JSGCOSHPSA-N 441.259 2.052 30 10 IEEE CC(C)C[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267881509 HWLBRCCVLIKDSR-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268631898 DOURVAIIXPQLDR-WMLDXEAASA-N 447.341 2.249 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2268717135 JDJACACTMZNJEY-KRWDZBQOSA-N 448.369 2.077 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]3(F)CCOC3)cc2Cl)OC1(C)C 2282827644 BJUDPWLIFGXTBH-OAHLLOKOSA-N 425.740 2.108 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@](C)(C(=O)O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2306545367 CWVQQWFKMHAPFH-XXBNENTESA-N 428.533 2.407 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCCN=c2cc(B3OC(C)(C)C(C)(C)O3)cc[nH]2)C1 2315479615 BLPJJVFAGLFVHX-UHFFFAOYSA-N 433.358 2.241 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334265649 YAPAUIQHCUGQMJ-ZCCHDVMBSA-N 448.325 2.133 30 10 IEEE NN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(I)c(Br)c1 2342527521 CIYNAGLEXBMWMR-FBKDDSFISA-N 433.087 2.454 30 10 IEEE CCCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 33812584 AQKMPBBWGSRLET-LFIBNONCSA-N 431.587 2.021 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C)c1=O 477339182 OFKAKJVIYILLFW-UHFFFAOYSA-N 433.508 2.437 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC1 504819875 RLFBXYSHTKHWOZ-UHFFFAOYSA-N 425.455 2.016 30 10 IEEE CC1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 507840960 MQICPIOQJNBMHT-UHFFFAOYSA-N 433.530 2.011 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 508465491 QICHPAQWWOKPNV-KRWDZBQOSA-N 447.543 2.217 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508496339 DDRMWRJNUHOKRL-AWEZNQCLSA-N 449.353 2.297 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)c1 524749290 MRXBMQFWOLXSCH-UHFFFAOYSA-N 447.560 2.132 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCCO2)c1=O 536085934 WMUXDWDUYMBUSA-GOSISDBHSA-N 438.549 2.360 30 10 IEEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(-c2ccccc2)n1 536800986 MPWNILORRRPLAK-UHFFFAOYSA-N 435.509 2.105 30 10 IEEE COc1cccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cc(OC)cc(C)n3)c2=O)c1 538497217 IXEIKSYHUVMQJR-UHFFFAOYSA-N 449.532 2.348 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1 544139051 YARYIBIGKSWKCS-LJQANCHMSA-N 426.498 2.084 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2nccn2-c2ccccc2)CC1 558769042 YFYBQKVAGXHBCU-UHFFFAOYSA-N 436.497 2.282 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccc(I)cc3)CC2)n1 570209000 GMKZKRFQNFDKBL-UHFFFAOYSA-N 447.280 2.319 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@@H](C)C(=O)OCCC(C)C)nc1C 586304550 PPKWZYYPBRCHQA-CFJPQMKISA-N 430.548 2.459 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 610099245 NESNWZJERUCJIJ-UHFFFAOYSA-N 442.545 2.384 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c(OC)c1 611182702 MNSXXUNVWHVCFV-UHFFFAOYSA-N 441.506 2.336 30 10 IEEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670234586 NRWWKLCNPGTHDG-RXVVDRJESA-N 425.581 2.239 30 10 IEEE Cc1occc1C(=O)NC1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 727437081 MJPVBFXCNQPVKA-GOSISDBHSA-N 433.468 2.308 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](n2ccnc2)C1 728540458 AXRRDOGTQLEONR-KRWDZBQOSA-N 429.546 2.346 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c(C)c1 730143779 VHTSBDOEGHZGFP-IEBWSBKVSA-N 432.590 2.482 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cc(OCC)ccc3OCC)c2=O)cn1 735069150 QMVFJKPEGYWVEM-UHFFFAOYSA-N 449.536 2.330 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 740235531 HQJOXHWKFMCSEJ-BHIFYINESA-N 448.475 2.080 30 10 IEEE C#CCN(CC#C)C(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 752151735 AERANOBCLNKGEF-UHFFFAOYSA-N 431.539 2.188 30 10 IEEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 754041755 AGZIEFQDZFQODA-PEZBUJJGSA-N 440.481 2.403 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)nn2-c2ccc(C)cc2)CC1 755082467 JPORXESCKLKYOR-UHFFFAOYSA-N 446.349 2.003 30 10 IEEE C#CCN(C(=O)c1cc(Br)nn1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 755308769 PGGVPOKVWWNFNK-OAHLLOKOSA-N 436.331 2.206 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)CC1 761924996 OXBPFIPAAWWNBT-UHFFFAOYSA-N 435.528 2.133 30 10 IEEE C#CCN(C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774188025 RJEJMEFQUYXVEO-RTWAWAEBSA-N 445.585 2.003 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(-c3cccc(Cl)c3)n2)c1 776860229 FKTVIPUCUWQAPY-UHFFFAOYSA-N 449.898 2.408 30 10 IEEE COc1ccc(Cn2cc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)cn2)cc1OC 778647082 XTXGLHQMJUZVHK-UHFFFAOYSA-N 440.481 2.247 30 10 IEEE Cc1nc([C@@H]2CCCCCN2C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 779701921 WZDZYYBONHNETO-CJNGLKHVSA-N 431.518 2.339 30 10 IEEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1OC 781933877 PQWACKURJAIALB-QEXXDVAHSA-N 429.473 2.264 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)n1 788813061 IMZGYALDZVGSTK-UHFFFAOYSA-N 432.406 2.405 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)n1 788919056 YLCRJUSULYBGHG-QGZVFWFLSA-N 425.489 2.392 30 10 IEEE CCn1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)cn1 795173066 NDIGFTVQNZUCMC-IBGZPJMESA-N 442.589 2.411 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ccccc1OCC#N)c1ccc(S(C)(=O)=O)cc1 797583197 QUDGOULBWAJHFR-NRFANRHFSA-N 430.482 2.201 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)ccc1F 798786973 ITNCDDSKPJQUFV-HNAYVOBHSA-N 445.516 2.209 30 10 IEEE CCCCCCCS(=O)(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 799796863 WQGSJMGGWLIILD-LJQANCHMSA-N 439.626 2.142 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 809357923 NNLHHAOKIJUHJP-UHFFFAOYSA-N 439.493 2.154 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 809921930 QIYNAAOKABYLLN-BZSNNMDCSA-N 432.569 2.445 30 10 IEEE COC[C@@]1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN(C(=O)OC(C)(C)C)C1 813168783 AJKGHKUEJXKYPD-OAQYLSRUSA-N 426.477 2.351 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2)[C@@H]1n1cccn1 814703259 JMGNVLNMOYARPP-ZMMAXQRCSA-N 427.530 2.369 30 10 IEEE C=CCc1cccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)c1O 1084057818 JDJXMINBLYNVAD-UHFFFAOYSA-N 430.519 2.059 30 10 IEEE COc1cccc(NC(=O)CCSc2nnc(NN=Cc3cccc(O)c3)n2N)c1 1084415949 HZNJYSBPZJLGAU-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1 1129282784 WJTSAEGGSFXHFW-INIZCTEOSA-N 432.523 2.065 30 10 IEEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1153874725 LDWLEHZZXUIVIF-CYBMUJFWSA-N 434.543 2.113 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 1168554721 HFJRTVMDYZKNQQ-MSOLQXFVSA-N 425.489 2.174 30 10 IEEE C#CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)CC(=O)OC(C)(C)C 1171791291 GCXVIIFPPOIHCO-ROUUACIJSA-N 447.551 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 1255060014 BOCCTALLZQXTKQ-HSZRJFAPSA-N 443.548 2.416 30 10 IEEE C#CC1(O)CN(C(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)C1 1256172708 SFHXGXZSBZWPLX-GAJHUEQPSA-N 427.501 2.279 30 10 IEEE CCc1noc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)n1 1264723892 ALYDMKTXSWKRFB-MOHJPFBDSA-N 449.533 2.380 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286315769 ZMBJKRKSIUGMHW-ROUUACIJSA-N 433.582 2.038 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286342408 CAXUSEJXJPCPLV-HNNXBMFYSA-N 436.969 2.173 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286390008 VCILZHKUXVEHEZ-IBGZPJMESA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](OC)C(F)(F)F 1286414905 DUNXVEGFKSSEEJ-OAHLLOKOSA-N 439.463 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(SC)CCN(C)CC1 1286419134 NTDSVYJLAUORAG-UHFFFAOYSA-N 444.649 2.487 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cccn(CC)c1=O 1286430873 KDIDTQISKVUERJ-QFIPXVFZSA-N 443.507 2.483 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1286442753 LKUZZQCLACJWNM-KRWDZBQOSA-N 436.516 2.111 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1286467205 NRXPJULUMORVHI-QFIPXVFZSA-N 435.638 2.161 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCC1 1286467880 VWNIPOXQPOODEA-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1286566861 JVPYUOHRLSDBEO-JOCHJYFZSA-N 446.983 2.331 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1286601307 UHHHBJJNBMEJOM-KGLIPLIRSA-N 439.504 2.260 30 10 IEEE C=CCCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1286691257 DAQXXHATXLNLSA-XXBNENTESA-N 447.580 2.114 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1c(F)cccc1F)C1CC1 1286778400 CSCJCPPXXOXNEA-UHFFFAOYSA-N 444.486 2.264 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286781495 RUQVMQVSCQKVAA-IBGZPJMESA-N 431.629 2.089 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(C)C)C1 1286791456 ZVDPDUXVCGMLQC-INIZCTEOSA-N 430.578 2.444 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@](C)=O)CCC2)C1 1286814222 NPSODESJMPEIMT-KWBVWKIGSA-N 438.594 2.085 30 10 IEEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1287125749 HZKCPBLVKOUROM-QFIPXVFZSA-N 438.536 2.218 30 10 IEEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1)c1ccccc1 1290923150 IQCIKDLAGFMHJY-SFHVURJKSA-N 446.525 2.486 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1291217824 IWXTWUVKCARAQB-HWGJHUBPSA-N 431.500 2.435 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1299404917 ZEUFNNMQWSDCAR-INIZCTEOSA-N 432.440 2.241 30 10 IEEE C=CCn1c(SCC(=O)N2CC(N3CC[C@@H](O)C3)C2)nnc1-c1ccc(Cl)cc1 1300302313 YEEJBGRXXPJEIJ-QGZVFWFLSA-N 433.965 2.154 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1300309815 IXIYNVVZLUREAM-FUHWJXTLSA-N 443.552 2.135 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1300501735 NERSSWQNVNLASF-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)N[C@H](C)CC)CC1 1300703707 QEDCQBPTWHVQHE-LJQANCHMSA-N 447.587 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)CC)CC1 1300725623 BLLOADPSSGPHRG-HSZRJFAPSA-N 427.524 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CCOC)CCCC2)CC1 1300726503 OWOTVVQHWGSJPR-HXUWFJFHSA-N 443.592 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 1300731783 VATAYIWPUGECSZ-FQEVSTJZSA-N 441.507 2.141 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301029646 SXZDHZQBVWFZOV-KRWDZBQOSA-N 439.907 2.336 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNC(C)=O)C1 1301555843 DMXBSIYNOZLYGK-YLJYHZDGSA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(F)c2[C@H]1C 1301567078 FLUDBOTZXNDBMJ-OAHLLOKOSA-N 449.552 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301593783 UKOYYQQUGBAQTJ-GOSISDBHSA-N 438.525 2.132 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)F)CC1 1302999621 BPZRBNSQVJNAQF-INIZCTEOSA-N 445.474 2.057 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1303674314 LSHAFDBNUSPNLJ-GVDBMIGSSA-N 434.541 2.361 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]cc(I)c1=O 1303711577 NGKYTBSYACOAHM-LLVKDONJSA-N 445.257 2.225 30 10 IEEE CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1305842664 QBKNPRDWNIHMSZ-FQEVSTJZSA-N 432.532 2.282 30 10 IEEE CS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1316363227 PPWTVBHETUUOBB-GOSISDBHSA-N 428.562 2.035 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1358926683 XUPFKGHKWBZGJH-UHFFFAOYSA-N 440.573 2.368 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1358941681 SWNAOGNOYXKPQN-NRFANRHFSA-N 427.549 2.389 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359123313 YJHIVVRVRXBMDN-JOCHJYFZSA-N 439.608 2.071 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359128215 NAAQFWQTVIDJBQ-OAQYLSRUSA-N 442.476 2.477 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1359168330 POPKCEXYMZUVLP-UHFFFAOYSA-N 449.559 2.049 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O)C1CC1 1359245818 FUIYMUCTWMGXJO-QFIPXVFZSA-N 442.951 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(C)c2)CC1 1359336364 NHMODTSKOMPQBC-HXUWFJFHSA-N 445.589 2.365 30 10 IEEE N#C[C@]12CN(C(=O)COc3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1439796615 NKDQDJQMBRFINT-PGRDOPGGSA-N 426.494 2.041 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1446434876 BNCCFTWFKWJMOR-WFAYISMSSA-N 446.592 2.483 30 10 IEEE C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1447787272 VNKFQLCYHVGNGT-WIDBLJPWSA-N 442.564 2.308 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[S@](=O)C(C)(C)CC1 1449601855 GNLNVQXQALZMFW-OLRZCDJHSA-N 439.603 2.044 30 10 IEEE CC1(C)OB(C2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)OC1(C)C 1455329995 ZNFCFFGVCOWLQJ-GOSISDBHSA-N 444.316 2.331 30 10 IEEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2cc(Br)ccc2n1 1457200521 WCHIPMZZZAXYSL-UHFFFAOYSA-N 440.257 2.137 30 10 IEEE CNC(=O)[C@@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)Cc1ccc(OC)c(F)c1 1470081782 DZOMJWWRFDASJQ-QGZVFWFLSA-N 428.464 2.119 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)S(C)(=O)=O 1502180170 FGSRYECOTOHLOF-QAPCUYQASA-N 434.541 2.283 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)CC(F)(F)F 1503608124 SFMCNVMDZUEAEE-HXUWFJFHSA-N 447.465 2.027 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1507539065 QSLWTYWFAQANHM-WMZOPIPTSA-N 438.557 2.087 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507559203 MPQNJNBCJFCRKR-NRFANRHFSA-N 439.608 2.308 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1507635654 YJCOZEYLKYBCJW-LJQANCHMSA-N 443.573 2.254 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507718091 AZIIMEDEUXTHHS-ZFGGDYGUSA-N 446.640 2.268 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCn2ccnc2C)CC1 1507731758 CHCXTWWMTGIPPE-UHFFFAOYSA-N 449.559 2.216 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2cccs2)N2CCCC2)CC1 1507731913 DWZYFZYYBGMIIF-IBGZPJMESA-N 428.606 2.468 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCn2nc(C)nc2C1 1507847264 DUJHONUZZKEBIL-UHFFFAOYSA-N 439.520 2.379 30 10 IEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1507869780 XRPIQOQLAJYRFW-CABCVRRESA-N 438.916 2.068 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1507880395 IFCFCMUWXGKRRI-IRXDYDNUSA-N 433.582 2.127 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1508146829 CCSXXKPHPZRLLF-GOSISDBHSA-N 446.621 2.176 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CCO1 1512495897 COHZXZAYKKUKEI-SFHVURJKSA-N 438.532 2.356 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1516063854 PJCVRUZGDRJPFM-HOTGVXAUSA-N 446.508 2.230 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc(N(C)C)ncc1Br 1520903231 JOCCHSCVOXJLIU-UHFFFAOYSA-N 431.338 2.381 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3nnc([C@@H]4CCCO4)s3)C2=O)cc1 1532708442 NNOQDZUZOMQCAM-KGLIPLIRSA-N 426.458 2.105 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc3ccc(Br)cc3c2)C1=O 1533820525 TUJMXQVWASDXND-UHFFFAOYSA-N 430.258 2.195 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCN(CCC)C1 1539190886 VUCDKEXSNSXQJZ-HSZRJFAPSA-N 449.647 2.444 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539358730 NIDMJVIZJFKAEY-PKOBYXMFSA-N 428.562 2.004 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(OC)CCOC1 1539403222 ORMSIJMQEZUACT-NRFANRHFSA-N 434.924 2.499 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1539612611 OIEPSPLHPLNIPL-AQNXPRMDSA-N 447.580 2.126 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1539729307 ORZPDUPOSUYJEE-UHFFFAOYSA-N 441.532 2.366 30 10 IEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539742530 FDXHKGJNOOYIKS-OXQOHEQNSA-N 439.516 2.379 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1540866687 WURIWXBDBIYCSP-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1540900335 SBXCNCOLLDBXHD-KRWDZBQOSA-N 433.578 2.085 30 10 IEEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1541256265 RVLYYUDMRXSXKZ-SFHVURJKSA-N 436.582 2.097 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1)C(=O)OC(C)(C)C 1544499023 FNLWEVFVVSAUKR-UHFFFAOYSA-N 429.517 2.158 30 10 IEEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)ccc1Cl 1554755918 TWXXAIDCCRAUSF-OLZOCXBDSA-N 440.957 2.337 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@]1(N(C)C)CCSC1 1555736726 ABRAKDSANZZWEY-BBTUJRGHSA-N 434.610 2.179 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C(=O)OCC 1558130742 AAEXPNHOKAOEAD-MRXNPFEDSA-N 428.489 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN(C)CC(F)(F)F 1587668114 STFQXJQYSNCNEK-ZDUSSCGKSA-N 428.484 2.222 30 10 IEEE N#Cc1cnc(C(=O)N2CCC[C@@H](n3nncc3I)C2)c(Cl)c1 1588405147 XNZLVAJEHWXJEG-SNVBAGLBSA-N 442.648 2.280 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(O)CCOC)CC1 1588750263 CCLUUIDPSJLEGZ-MBSDFSHPSA-N 445.539 2.100 30 10 IEEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)C1CCN(C(=O)c2ccc(F)cc2F)CC1 1588774730 DSUYJVWVHNWCLU-ZDUSSCGKSA-N 430.320 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1588954377 GQRUKXXICGFDJT-RUZDIDTESA-N 435.572 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)N(C)C 1589197737 IRZNEPXZXDFNIS-HSZRJFAPSA-N 433.516 2.454 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589515656 QRWMCWDJLDQUSF-AOIWGVFYSA-N 448.593 2.020 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1595303621 WHRGGGRMQLVBMX-OAHLLOKOSA-N 438.525 2.015 30 10 IEEE CCOC(=O)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)COc1cccc(C#N)c1 1595582149 BRNGPOLHZFJIKM-GOSISDBHSA-N 431.489 2.242 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1595614371 SPGCMPKJNBAHCU-ICSRJNTNSA-N 425.533 2.500 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)n[nH]2)c1C 1596093410 OBZGOEWIGVRPFY-AWEZNQCLSA-N 431.504 2.089 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1596831090 HWEYFXCWZCURPW-QGZVFWFLSA-N 438.557 2.453 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(SC)c(C#N)c2)C1=O 1597764174 MSORKNAQRRCTJT-JOCHJYFZSA-N 438.509 2.372 30 10 IEEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1612442763 MRSZHCJPPGOVOS-NQIIRXRSSA-N 445.593 2.296 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1614218965 TXGDVDUCTQWKGU-JTDSAVPOSA-N 440.504 2.377 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1616565386 OAXWENPVHZKKNI-KRWDZBQOSA-N 442.470 2.062 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1619854164 IARIPLCNKFULGL-SAHWJRBASA-N 434.581 2.084 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1620053943 ZDIDNYCMNKNZND-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H](C)CS(C)(=O)=O 1629136096 ZDFVZOAASVDZEJ-GFCCVEGCSA-N 428.352 2.039 30 10 IEEE N#Cc1cccnc1NCCNC(=O)c1cc(F)cc(I)c1N 1631239163 KTVHSMMWJXFURV-UHFFFAOYSA-N 425.205 2.121 30 10 IEEE N#Cc1ccc(Br)c(Cn2cc(I)c(O)nc2=O)c1 1641132575 XTQRBQDMAXLHKB-UHFFFAOYSA-N 432.015 2.236 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)c1 1641714002 MGEIGRFWDQDBOQ-IBGZPJMESA-N 429.542 2.164 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ncnc(O)c34)CC2)cc1 1645095004 IFPUHBCVIKOKSD-UHFFFAOYSA-N 437.481 2.246 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)c1 1655716458 ZVSXNEWOBSUXPU-KRWDZBQOSA-N 441.550 2.362 30 10 IEEE C#Cc1ccc(S(=O)(=O)N(C[C@@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)cc1 1660451180 DAPKNZBWDFGOSA-HXUWFJFHSA-N 430.526 2.465 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)cc1 1666059455 ULGCPNCEMNDOTQ-OJCRERRGSA-N 433.526 2.200 30 10 IEEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1675700488 ABQAFEAFJKQPHW-CQSZACIVSA-N 433.559 2.121 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1occc1C 1689826712 SXIRCUBEFXGCSV-MRXNPFEDSA-N 435.488 2.105 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1689992327 JJZIBCIPNTXFBT-OALUTQOASA-N 434.537 2.060 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1690026704 ITEUNDVBAIDQLK-SFHVURJKSA-N 427.936 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1690117333 DLIGGQIATJWBGO-IBGZPJMESA-N 438.576 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCC2(F)F)CC1 1690142732 SNLCOHFRFVESEI-GOSISDBHSA-N 445.518 2.470 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCNC(=O)C1CCC1 1690244109 TVGPKKNAHRGWEO-UYAOXDASSA-N 441.580 2.402 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1690667803 IOQVJNAQBIACRP-ZWKOTPCHSA-N 441.580 2.107 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1697167245 AOVJVFRXMBPMSG-BEFAXECRSA-N 426.521 2.378 30 10 IEEE COC(OC)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)c1 1697188489 HNBJIPHRIZCAPH-NRFANRHFSA-N 425.468 2.460 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(C(F)(F)F)c1 1698060538 BXGVHJYIMJDOHG-CQSZACIVSA-N 437.426 2.058 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCC2)nnc1N(CCO)Cc1ccccc1 1698520185 DPDLFNVFVDFUQE-XDOYNYLZSA-N 436.516 2.071 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H](COC)OC)c1 1705506039 YFXSMJPKRWMUHF-IBGZPJMESA-N 434.500 2.058 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1705565701 JHPOLNVHSDXEKX-QZTJIDSGSA-N 431.562 2.090 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2CCOC2)CC1 1705636556 OSAKQMYONNBRAI-SFHVURJKSA-N 425.533 2.144 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nccn2C(F)F)CC1 1705640933 KOVAOPMTMGJDIQ-UHFFFAOYSA-N 432.504 2.029 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](C)C2)CC1 1705644306 LTCXLFRKEPDJPN-ZWKOTPCHSA-N 449.559 2.327 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705738286 RNHOZKGXRJJNAS-UGKGYDQZSA-N 444.624 2.202 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1706745930 LCUJMJKAQQFGIK-ZBFHGGJFSA-N 440.474 2.070 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1Cc1ccc(C#N)o1 1706882683 VRMOBMDSYMBOCW-CJNGLKHVSA-N 430.490 2.336 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1708333436 XLFSEXHMGUNWNV-AOMKIAJQSA-N 442.520 2.167 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC(=O)N(C)C 1708531220 ADGLQBJFCOSAID-DLBZAZTESA-N 439.568 2.037 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1Cc1ccc(C#N)o1 1708756334 AGSLECTZBOCGCF-KRWDZBQOSA-N 425.537 2.384 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1 1709136867 ALBNTGZZWQPPRI-HTAPYJJXSA-N 426.569 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1722281250 ICDBRLRHFHDRRK-DOTOQJQBSA-N 432.546 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722370161 HYMKAWHJTLKDIX-SFHVURJKSA-N 442.564 2.136 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1722379208 XPOYDPACFMXWEX-NRFANRHFSA-N 429.572 2.163 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1SC 1722389170 DTQOFSDPRDICHG-QGZVFWFLSA-N 445.614 2.430 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCOC1 1722390042 AFRKMKCTCZOGMA-DVECYGJZSA-N 438.528 2.431 30 10 IEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722629504 KVRWVXNYCCYVKJ-UHFFFAOYSA-N 438.507 2.257 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CC)C2)C1 1722709609 UHTPNKQLZVGNCJ-MSOLQXFVSA-N 425.537 2.049 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2OC)C1 1722709754 XLOPMZAHNDLXBW-SFHVURJKSA-N 429.496 2.491 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1729202183 GLWWGKQEOQXCEJ-OAHLLOKOSA-N 443.451 2.019 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)CC1 1730419359 OVMWPFJGRWPZGP-UHFFFAOYSA-N 436.541 2.416 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1730839944 IHPNBBKJKHMCTL-QEEYODRMSA-N 440.520 2.357 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1740534191 XPWGESHRKGKGGE-HUUCEWRRSA-N 428.518 2.050 30 10 IEEE C#CCN(c1nnc(C)n1CC1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1740616454 BKNCKUWMEKVRON-JOCHJYFZSA-N 441.601 2.125 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1740628470 YCXYEUXTOAAIOD-OALUTQOASA-N 449.621 2.021 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C 1740685376 FGKUKVJGDXEKNY-HXUWFJFHSA-N 427.549 2.464 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)C[C@H]1C 1740710975 HCJDWTXIXLHEJB-MRXNPFEDSA-N 435.557 2.369 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1740731063 OCZRYGCBTNKEEQ-VGOFRKELSA-N 444.557 2.238 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOCC)CC1 1740759311 ILDVYYBOSDYZLC-NZQKXSOJSA-N 440.592 2.404 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1740763195 ZHEPILZSZZSLIJ-ZOBUZTSGSA-N 437.591 2.254 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740792894 BTMMSMUHLMYFKI-QHCPKHFHSA-N 426.565 2.158 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](C)C1 1740884908 QINOAGYKEODYRW-IAGOWNOFSA-N 448.593 2.445 30 10 IEEE C=CCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949744 QRGYFWKGARSNHK-IXDOHACOSA-N 430.553 2.436 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)N(C)C)C1 1740978151 OZKDWKUODFUJTL-OAHLLOKOSA-N 439.969 2.271 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1741006921 SCWZAWTYYZTSTB-LJQANCHMSA-N 442.589 2.474 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1741269581 GIUHQPXTKBGGDY-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1 1743093959 CVXTVJBXOFWAMV-MSOLQXFVSA-N 444.605 2.418 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCS(C)(=O)=O)CC1 1749303632 MGYKNOUHPSRLSP-IBGZPJMESA-N 448.545 2.008 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1749368509 KYDBNJKXPDSPIO-JKSUJKDBSA-N 443.639 2.155 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(N)=O)nc1 1749536261 FZYIOLOJLKMATH-UHFFFAOYSA-N 433.516 2.151 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC)Cc1ccc(F)cc1F 1749666257 KIMVIBGFPJJNMZ-QGZVFWFLSA-N 432.475 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC2(CCC2)C[C@H]1CC 1749721689 QVQDPBFGEADLDK-QGZVFWFLSA-N 435.594 2.274 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cnn(C)c1 1749725186 SFZJFDPHFQGLHV-UHFFFAOYSA-N 428.562 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1749741249 VFVTWOFYJFVYDK-KZNAEPCWSA-N 440.610 2.270 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1750340882 POUMACNZSGXXOL-ATZDWAIDSA-N 429.546 2.113 30 10 IEEE Cc1noc([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C2)n1 1751967255 QXQOBKDWCVWPJC-IBGZPJMESA-N 437.504 2.291 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760182964 LBVZTCWJJUWNQE-UXHICEINSA-N 441.557 2.259 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760188829 MYFDOLGGZDALFR-RTBURBONSA-N 444.605 2.164 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H](C)N2CCCCC2)CC1 1760265082 NIQSARWXWCODBA-FSSWDIPSSA-N 444.624 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)N2CCCCC2)CC1 1760270181 TXUZBOKAHXIMEE-UHFFFAOYSA-N 440.592 2.304 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)CC1 1760567742 LWQIIERRKGBYAE-UHFFFAOYSA-N 425.562 2.104 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCCO)C1 1760793422 BDZXCCIHKPRMAS-KSZLIROESA-N 448.568 2.330 30 10 IEEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1767562673 PFCFXLNHVZYGGJ-LJQANCHMSA-N 437.548 2.100 30 10 IEEE CN1CC[C@@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C)(C#N)CC2)C1 1769064054 USHYUYPIJLDOEQ-QFIPXVFZSA-N 430.503 2.344 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCOC(F)F)cc1 1770739126 XVUFZAXZQXGWKA-NRFANRHFSA-N 446.458 2.217 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1770803257 RNUWIQLEMOAXAF-MSOLQXFVSA-N 440.483 2.146 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)ON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C 1772788783 GQFQDQUYPVOAGY-AWEZNQCLSA-N 434.445 2.366 30 10 IEEE Cc1ccc(Cn2c(=O)c(C(=N)NOCc3ccccc3C#N)c3n(c2=O)CCC3)cc1 1848484754 GMVMZJSTHCVHOV-UHFFFAOYSA-N 429.480 2.231 30 10 IEEE CN1C(=O)CSc2ccc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc21 1851763864 MSLJSCWKMQHYLC-UHFFFAOYSA-N 437.525 2.001 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)COc4ncccn4)cc3)CC2)cc1 1851809947 ABDWYXSBGGDRQY-UHFFFAOYSA-N 442.479 2.328 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3)CO2)nc1 1852450301 KLUTXGINUDYSHX-WMZOPIPTSA-N 426.860 2.319 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@@]12CCCC[C@@H]1CN(Cc1ccccc1)C2 1853193317 VTHYJCPTPQBKBZ-DVECYGJZSA-N 436.512 2.365 30 10 IEEE N#Cc1ncc(C(=O)N(CCCN2CCCC2=O)Cc2c[nH]nc2-c2ccccc2)cn1 1853538791 OBERHFSVDYLTHC-UHFFFAOYSA-N 429.484 2.393 30 10 IEEE Cc1ncc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)c(C)c1C 1855975255 CJAJFPNXBBVMDV-UHFFFAOYSA-N 426.498 2.271 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857326993 NEKURJAYWJASQJ-LJQANCHMSA-N 435.521 2.133 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)/C=C/c2cccc(OC)c2OC)cc(C(=O)OC)c1 1860727714 BWXAUGKCXCMLMA-CMDGGOBGSA-N 427.409 2.498 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCCCO)=C(N)Oc2c1c(C)nn2C 1864317334 XKBLQWSYAGTWNQ-IBGZPJMESA-N 426.517 2.267 30 10 IEEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)CNC(=O)c1ccc(Cl)cc1 1870105363 ONOBCOKCOIBSCB-UHFFFAOYSA-N 439.819 2.128 30 10 IEEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN(CCO)CCCC)cc1=O 1870561582 TVCPANSJBPCCGF-QHCPKHFHSA-N 441.572 2.463 30 10 IEEE C=CCn1c(C(=O)NCCCOC(C)C)cc2c(N(CCOC)CCOC)ncnc21 1873593305 NCVYWXRDNOKYEE-UHFFFAOYSA-N 433.553 2.261 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccccn1 1874435899 CRUYQYOFIVTPDZ-ZWGXDWAISA-N 437.529 2.161 30 10 IEEE CCOc1cc(/C=N/n2c(COC)nnc2SCCO)cc(Br)c1O 1874505600 PHXPFPMKCKKJHX-CAOOACKPSA-N 431.312 2.258 30 10 IEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCCOCC)ncnc21 1875228386 MUANNHIWTTUFRK-UHFFFAOYSA-N 429.521 2.435 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCCC5)C2)c1 1889487356 BPUGWKUXFMRQJF-CVEARBPZSA-N 437.525 2.106 30 10 IEEE C[C@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)n1nc(-c2ccc(F)cc2)ccc1=O 1891434921 SOSCQGIJWDCZLL-CRAIPNDOSA-N 448.458 2.342 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)C#CC1(S(C)(=O)=O)CC1)Cc1ccccc1 1902437226 IRIZXOLZPPPZDG-UHFFFAOYSA-N 434.558 2.163 30 10 IEEE C=CC1(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)O)CN(C(=O)OC(C)(C)C)C1 1993306334 LOBCBXOMZVJZAX-HXUWFJFHSA-N 427.542 2.332 30 10 IEEE C=CCN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)C(=O)OC(C)(C)C 2010019896 ZQVPFDLLBBKUCN-OAHLLOKOSA-N 441.525 2.332 30 10 IEEE C=C(Br)CS(=O)(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 2010580545 NSUVHHZFFWEOHY-CHWSQXEVSA-N 427.361 2.229 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@H]4COCC[C@H]43)c(Br)c2)OC1(C)C 2172780740 UWTJSLTVYLMYMH-CABCVRRESA-N 425.132 2.137 30 10 IEEE N#Cc1cc(Br)cnc1N1CCO[C@]2(CCCN(C(=O)C(F)(F)F)C2)C1 2174807695 FNWDOVQIVRTGKI-OAHLLOKOSA-N 433.228 2.476 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243685362 SHNFMMXGMDVULF-UHFFFAOYSA-N 425.360 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248416608 WGJHZNIPUJZOPT-CQSZACIVSA-N 435.355 2.234 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254801028 PZOVWKARKAVZDT-UHFFFAOYSA-N 437.321 2.350 30 10 IEEE CC(C)(C)OC(=O)NC1(CCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255627524 UMOQBUZZXBEBRI-UHFFFAOYSA-N 434.346 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255629119 REYZEUXGPRDAEG-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)n1 2255666393 SUQRLJCGLGWNKY-CQSZACIVSA-N 436.362 2.187 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255699467 XKDDUVALGHARNJ-PEBXRYMYSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2256629311 SGELAYTXBOXYJD-UHFFFAOYSA-N 431.342 2.133 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CC(Oc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)C1 2265852856 FIVABPZERPMQIY-KRWDZBQOSA-N 445.369 2.453 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267128426 QPZDPYQXULQKJE-FQEVSTJZSA-N 438.381 2.360 30 10 IEEE CCc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2267143807 NBSCOLIGSKIVKJ-UHFFFAOYSA-N 438.381 2.240 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267186024 DLONQCOFQVLBMR-CABCVRRESA-N 448.373 2.474 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H](C)CN1Cc1ccccc1 2267487212 BTLBZKCXTAKZNH-ROUUACIJSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267522517 WPKFAYSNJSLSBU-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)n1 2267527137 CBYNIYILEJGNLD-INIZCTEOSA-N 448.373 2.235 30 10 IEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267608529 GMNTYTJQDNBSSA-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1O)C2 2267680208 RXLQDYICZUJVRF-QKFKETGDSA-N 444.337 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879583 JADRQAUIVTXJFI-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268641824 PLWPOMJRCWDSCB-UHFFFAOYSA-N 446.353 2.104 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCOC1 2268717332 KLKSVUBJDDUPCS-WMLDXEAASA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@@](C)(O)[C@H](N)C#Cc1cccc(Br)c1 2278732499 JOLPQLGPQBCILJ-VQIMIIECSA-N 427.339 2.420 30 10 IEEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C)c(C#N)c1)NC(=O)OCc1ccccc1 2286030056 VVLAWTBUKGZZDN-GOSISDBHSA-N 431.470 2.076 30 10 IEEE C=CC[C@]1(CN)CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2287697509 NCLAURJICPPGPA-JOCHJYFZSA-N 433.574 2.398 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 2296627142 CECOLDDMQOYYJH-HXUWFJFHSA-N 442.516 2.417 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2298215499 DZOSSQIPTQIPRH-BQJWPVKWSA-N 439.553 2.046 30 10 IEEE COc1[nH]c(=NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339787715 DSFRLEKVJAQJNC-IQMFZBJNSA-N 445.369 2.480 30 10 IEEE C[C@H](C#CC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O)NC(=O)OC(C)(C)C 2366865650 MGWIKXLEAYFOFG-DOMZBBRYSA-N 439.306 2.478 30 10 IEEE C[C@@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)CCS1(=O)=O 2377421165 ABFMDUBEGCWNDA-CYBMUJFWSA-N 444.200 2.367 30 10 IEEE COc1ccc(C(=O)Oc2cccc(/C=N\N=C3/NC(=O)[C@H](CC(=O)O)S3)c2)cc1 33432198 HUXHLSUTNDIVAF-SJJOQSKNSA-N 427.438 2.311 30 10 IEEE C=CCNC(=O)N1CCN([C@H](C(=O)NCCc2ccccc2OC)C2CCCC2)CC1 36310658 DKWMLPWOMZUCJS-QFIPXVFZSA-N 428.577 2.426 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)/C1=C(/O)c1ccc(Cl)cc1 102483064 BPHSBXKFVTWSRF-HQMFNGAOSA-N 427.888 2.489 30 10 IEEE Cc1ccc(NC(=O)COc2ccc(CCNC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)cc1 409509062 VETPOJQQGIZALC-QGZVFWFLSA-N 432.484 2.396 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1=O 410098444 JCMYVDUUJYWRIG-CJNGLKHVSA-N 443.363 2.104 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(OCC)c1 440373216 FNKNXECSVPYPEO-UHFFFAOYSA-N 431.517 2.103 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC1 443319444 KKGDLRSSFGTGLW-RJYAGPCLSA-N 427.505 2.372 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 480114484 NRPBNWWPSCRASK-PXAZEXFGSA-N 447.314 2.369 30 10 IEEE CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503114133 YOWSPZGURHAJQY-NRFANRHFSA-N 439.560 2.482 30 10 IEEE CNC(=O)c1cccc(CCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 503417020 SRVAZTQMQPABRY-UHFFFAOYSA-N 430.512 2.367 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](O)(C(F)(F)F)C1 508466784 WBKZQWGNZHEFTI-KRWDZBQOSA-N 444.483 2.236 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(Br)c3)n2CC=C)CC1 508920419 UROOGSYQOBHABO-UHFFFAOYSA-N 445.365 2.318 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 513654494 LNUFBVROKORAIV-UHFFFAOYSA-N 442.497 2.286 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)CC1 524496492 QROIMRXYKKADSH-NHCUHLMSSA-N 441.620 2.294 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 530893646 KRVQVDKMIGYKMD-AWEZNQCLSA-N 427.551 2.140 30 10 IEEE Cc1cccn2c(=O)c(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cnc12 539110335 HNGHCLDXZIBWTM-UHFFFAOYSA-N 430.424 2.085 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCO2)CC1 549477162 TZQAEMXLYZBZQM-NRFANRHFSA-N 438.576 2.111 30 10 IEEE Cc1nccc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCOC3)CC2)n1 549633407 LCUSRADHPLALCI-IBGZPJMESA-N 430.516 2.278 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 581972095 WAOXWRJBZSXZHI-CXAGYDPISA-N 441.504 2.273 30 10 IEEE COC(=O)c1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 586287790 PXQXMEYCSYKLEN-SSEXGKCCSA-N 445.522 2.221 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CN3CCN(c4ccccc4)CC3)cc2C1=O 607511245 FPQPTEQEXIQHSP-GOSISDBHSA-N 432.524 2.409 30 10 IEEE N#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(F)c1 609231003 GWAWDBNOXDTLNW-UHFFFAOYSA-N 447.488 2.234 30 10 IEEE CN1CCN(C(=O)c2cc(Br)ccc2I)[C@@H](C#N)C1 690108378 NNZAVDPPFBJGFO-JTQLQIEISA-N 434.075 2.333 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)c(NC3CC3)n2)CC1 725424937 GRQMCDZPJYGJPV-UHFFFAOYSA-N 445.373 2.407 30 10 IEEE C#CCN(C(=O)c1ccc(I)cc1Cl)[C@@H]1CCS(=O)(=O)C1 729333073 KHKOLEBNSLOTAD-LLVKDONJSA-N 437.686 2.207 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CCCC2)C1=O 735225888 OHKSOOKUDXPQEG-SFHVURJKSA-N 432.546 2.357 30 10 IEEE Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 756779922 LMTGHTNAQVPZQX-CTNGQTDRSA-N 432.528 2.255 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C)c(F)c2)C1 760305588 TYTNGXXAOKQLON-HOCLYGCPSA-N 435.525 2.006 30 10 IEEE O=C(O)c1ccc(NN=C2C(=O)N(Cc3ncon3)c3ccc(Br)cc32)nc1 763370580 RPEAQTASCFRJML-UHFFFAOYSA-N 443.217 2.288 30 10 IEEE N#C[C@H](C(=O)CCC(=O)N1CCOc2ccccc21)C(=O)NCc1ccc(F)c(F)c1 786573126 ZNSZJTSOGFNOTL-OAHLLOKOSA-N 427.407 2.496 30 10 IEEE COc1ccc(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)cc1C#N 798442909 WOWIYEUSKNPHBD-UHFFFAOYSA-N 436.921 2.388 30 10 IEEE C[C@@H]1[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC(=O)N1Cc1ccccc1 798455050 AYRIQBINTVZKPW-NXWXRZEISA-N 441.532 2.234 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(C)(C)S(C)(=O)=O 802569659 XYNWNKAAQSOWRK-UHFFFAOYSA-N 440.591 2.184 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807937258 ZCUUJJWISAWSES-AVGNSLFASA-N 435.460 2.307 30 10 IEEE C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(N2CCCNC2=O)cc1 812942698 VLBGSUXMAIXDGU-KRWDZBQOSA-N 433.516 2.466 30 10 IEEE C[C@@H](CC(=O)NCCc1cccc(C(F)(F)F)n1)/N=C1/NS(=O)(=O)c2ccccc21 814419422 ADIGBKHEWOJLNL-LBPRGKRZSA-N 440.447 2.276 30 10 IEEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)NCc1ccc(F)cc1 1084093622 IXVXDSSTOFUJFN-UHFFFAOYSA-N 449.899 2.345 30 10 IEEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1c(F)cccc1F 1084430733 PZGWLTWFMODXCS-UHFFFAOYSA-N 448.415 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 1126293838 JFQKIMHXZPHHPM-WBVHZDCISA-N 428.489 2.417 30 10 IEEE CC(=O)NC1CCC(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 1136200119 QPTBXHMSZPDMNO-UHFFFAOYSA-N 426.496 2.209 30 10 IEEE CC1(C)Cc2c(Br)cccc2[C@@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1141481914 GUSBNAMXPGGYCS-INIZCTEOSA-N 431.290 2.413 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1141970444 MQGKMFQPWCDYIB-CRAIPNDOSA-N 437.562 2.421 30 10 IEEE CCOC(=O)CON=C(C(=O)Oc1cc(Br)ccc1OC)c1cc[nH]n1 1148782297 WHELUJKUDOXZHG-UHFFFAOYSA-N 426.223 2.070 30 10 IEEE N#Cc1ccc(Cc2cnc(NC(=O)CNc3ccc(S(N)(=O)=O)cc3F)s2)cc1 1160487804 HKKPMXPDBYIUHF-UHFFFAOYSA-N 445.501 2.443 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1230385201 YJHZFEBITGIWGX-UHFFFAOYSA-N 432.468 2.251 30 10 IEEE COC[C@H](NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[C@H]1CCCOC1 1255499146 RNTPGBYTIMNXCF-UWJYYQICSA-N 440.548 2.308 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286387847 JBZYFZIURGZFSS-QGZVFWFLSA-N 443.529 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccn1C(F)F 1286424976 SQRURVKTFXIODN-UHFFFAOYSA-N 448.441 2.024 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCNC(=O)C(C)C)CC1 1286474010 ZQSPEUJDBTYFON-UHFFFAOYSA-N 445.571 2.329 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccco2)C1 1286496737 VDTUOEAHKYTKMO-KRWDZBQOSA-N 438.513 2.463 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1286618231 XNLUILDGAJKIHT-SFTDATJTSA-N 425.533 2.227 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)C1 1286799932 CGYJVVATRBHLSP-UDTLNKQYSA-N 433.597 2.453 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286834657 JVVHRLCCJJNFHF-MSOLQXFVSA-N 429.594 2.306 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC[C@H]3CC[C@H](C(F)(F)F)O3)C2=O)cc1 1288684679 QUYRDCJQTJKJMO-BZUAXINKSA-N 438.406 2.379 30 10 IEEE Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289202082 WNLXUOPNYLVQHV-DJJJIMSYSA-N 435.502 2.180 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H](C(F)(F)F)O1 1291217578 DVVXVFHQRKAIPE-DYVFJYSZSA-N 448.449 2.499 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1293859704 KTHZQXBAUYANML-JKSUJKDBSA-N 446.502 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC(O)(CC#N)C1)Cc1cc(F)c(F)cc1F 1296601828 WKOHCCJZEJEVFW-CYBMUJFWSA-N 427.423 2.417 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1298087939 PUCXUXLFXXLTTG-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C(C)C)N1CCOCC1 1300289280 HOZHHSPNUMMLDH-HKUYNNGSSA-N 425.533 2.489 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCCC2)cc1 1300458709 LCJQUTMGQQNKTA-OAQYLSRUSA-N 441.601 2.284 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1300488518 SALCSEYPDXYGCX-INIZCTEOSA-N 446.598 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1c(CC)nn(C)c1OC 1300516026 HRKWCCVCOGSQDJ-UHFFFAOYSA-N 433.472 2.279 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCSC 1300539014 WONSCZSGHYFXJS-KRWDZBQOSA-N 433.578 2.412 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCSC2)CC1 1300725065 FPRDZZCNZJFNNV-PKOBYXMFSA-N 431.606 2.281 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)CC1 1300769184 BBHYQGUKTFJMRD-UHFFFAOYSA-N 429.546 2.420 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1 1301043306 IPELQPKURZRSPR-INIZCTEOSA-N 435.525 2.463 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1301475781 YFNLISVDURAMCQ-INIZCTEOSA-N 445.593 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@H](C)C1 1301587402 ZFPQTONTGVYSJA-HUUCEWRRSA-N 435.550 2.089 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1302267006 WSERKNYGOKCQOC-UHFFFAOYSA-N 439.520 2.058 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCOC2)CC1 1303940518 ANYDWDHJEWIZJH-GOSISDBHSA-N 430.553 2.087 30 10 IEEE Cc1cc(CN(CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc(S(N)(=O)=O)c1C 1307895293 SBKMOXWQWKGULG-UHFFFAOYSA-N 447.582 2.261 30 10 IEEE C#C[C@@H](NC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(Br)cc1 1312127273 GQFBYUJSCNPNPJ-CVEARBPZSA-N 430.306 2.270 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@@H]1C 1313941372 BWXPSBWNSIXSPD-GHTZIAJQSA-N 440.548 2.065 30 10 IEEE CN(c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1314699373 WJPRQDNQCNJJKV-VXPUYCOJSA-N 426.452 2.121 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1316335106 AUZIROUPXLSNRA-UTKZUKDTSA-N 447.536 2.260 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ncc(Br)cn2)cc1 1354361079 ZDPQDCYBXKEFAR-KGENOOAVSA-N 438.307 2.304 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)c1OC 1358417312 RBNARJIKOLKJOT-RTBURBONSA-N 439.468 2.422 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCCC1 1358872293 SBLDLCDTHKNVMC-IAGOWNOFSA-N 425.599 2.333 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1358946796 JEOOKMLVQDACMC-IBGZPJMESA-N 435.532 2.020 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nncn2C)C1 1359314142 WUIIIUDKRBDXFX-AWEZNQCLSA-N 447.341 2.004 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(-n2cccn2)cc1 1359476932 NYAVCHCGRRKMGM-GOSISDBHSA-N 432.532 2.425 30 10 IEEE CON(C)S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1Cl 1452948358 SGHRANJKRFMGAT-QGZVFWFLSA-N 437.905 2.199 30 10 IEEE CCC1(N2CCCC2)CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1454564522 PQKQSIPZEDNRGW-QGZVFWFLSA-N 432.590 2.371 30 10 IEEE C#CCN(C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1456088048 SSTALZRZRKUFJI-OAQYLSRUSA-N 438.549 2.321 30 10 IEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1461541201 FYYIQGBIIIOWSP-HNNXBMFYSA-N 433.555 2.387 30 10 IEEE COc1ccc(OC)c([C@H](O)CNS(=O)(=O)c2cc(Br)ccc2C#N)c1 1463158504 FIIWQFYFSSDNEO-OAHLLOKOSA-N 441.303 2.350 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)c1 1465442998 BXVRVESMUKBGFI-UHFFFAOYSA-N 428.401 2.494 30 10 IEEE CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)N(C)C)cc1 1470032236 GJCDUJZBPDYKEC-DHIUTWEWSA-N 448.571 2.327 30 10 IEEE N#CCCN(C(=O)CCC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1 1471272240 UPQHVPCBPSQJMN-UHFFFAOYSA-N 447.495 2.082 30 10 IEEE C#CCN(Cc1nnc2c(=O)n(C)ccn12)[C@@H]1CCOc2ccc(Br)cc21 1473168801 RQZUDNHROKPJGC-OAHLLOKOSA-N 428.290 2.150 30 10 IEEE CCc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498995050 WHOJSBMRVBISMN-ZREAOVPFSA-N 436.516 2.162 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCn2ccnc2C)CCOC1 1502682105 UQHCFBUXMKQUSU-LEWJYISDSA-N 431.516 2.358 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCCN1CCCO 1503132098 RTYUSLXRDMSGAQ-VSKRKVRLSA-N 438.576 2.405 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1503551816 GHJXVRAXTJYTMQ-ZWKOTPCHSA-N 429.546 2.114 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507577585 RJOFPZKRCRJIFW-UHFFFAOYSA-N 446.533 2.032 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507632432 LBGBAXNAIRNHHK-VQTJNVASSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(C)(C)C)nc1 1507672591 CZZUNMQYSGBRFI-UHFFFAOYSA-N 434.544 2.484 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncccc2N(C)C)CC1 1507724144 IFOPZJJIDCWFHF-UHFFFAOYSA-N 433.535 2.273 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 1507796612 PWFHQRIMMNPZBK-HRAATJIYSA-N 441.532 2.270 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)nc32)CC1 1507880391 IFCFCMUWXGKRRI-DLBZAZTESA-N 433.582 2.127 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1508094961 KBOKGENVJZELTM-JOCHJYFZSA-N 429.952 2.370 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCO[C@@H]2C)C1 1508114494 DIPMVWXHFNSFHS-JTUHZDRVSA-N 444.532 2.284 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1513645361 SYEBNYFLWHAPJM-QFHABUONSA-N 449.490 2.476 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1517519306 TYBGMRLAPBIBEO-KRWDZBQOSA-N 430.459 2.203 30 10 IEEE C=CCCC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 1533727815 PFMCXYSXCASWLB-GOSISDBHSA-N 445.541 2.352 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1539045392 UDNOQTPIWQCATO-UHFFFAOYSA-N 448.575 2.190 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1539104324 IFSGPBXMLIXNHE-LJQANCHMSA-N 447.547 2.219 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1539153639 HEENNVASOKCFKV-QFIPXVFZSA-N 446.573 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN(C)C(C)C 1539233042 YZUBFXNOERYTJC-UHFFFAOYSA-N 426.952 2.275 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCC(F)(F)F 1539273537 WOERRAWPHBRDSG-UHFFFAOYSA-N 445.445 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1cccs1 1539300628 WFYQJNWQNPZGSL-FGZHOGPDSA-N 428.558 2.362 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC(=O)N2)CC1 1539431364 UFIXNYZOLVLCEG-SJLPKXTDSA-N 442.951 2.105 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(C)C)C1 1539505364 WEGGVDHIJQMSBD-IBGZPJMESA-N 438.561 2.148 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539599718 CLFLWIFZNPXZGD-ZDUSSCGKSA-N 428.356 2.042 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539985663 MUHJWXGSMGQJGC-UHFFFAOYSA-N 439.476 2.340 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540866547 RFDGMESYBNTANY-YCRPNKLZSA-N 446.939 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@](C)(OC)C1 1540904733 PTKWYIPZWIFYEQ-QFIPXVFZSA-N 448.589 2.484 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@H]1C 1540919397 PLMHSOCTICPIKY-MRXNPFEDSA-N 425.562 2.103 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1541030609 DQECWOBMESMPIK-WMZHIEFXSA-N 434.500 2.422 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1)c1cc[nH]n1 1546281106 RNSBBSCKFAVAGI-HNNXBMFYSA-N 447.923 2.298 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1conc1COC 1546528781 BOZOWBTWTPYCCR-UHFFFAOYSA-N 425.468 2.361 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2nnc(C)s2)CCOC1 1547894017 PFEIRMGCUATXGB-MOPGFXCFSA-N 435.529 2.165 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCC(=O)N1CCOCC1 1554162559 CCKSMYLULKQBRD-UHFFFAOYSA-N 431.500 2.097 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCC2)CCO1 1555992056 FNSQPCHGCBXKIT-ZDUSSCGKSA-N 436.285 2.490 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H](C)c3nccs3)CC2)s1 1556117900 JQOSMANEBVSSND-CQSZACIVSA-N 440.616 2.117 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)C(=O)OC 1556376039 ZWJJOIQDVYPXBK-ZDUSSCGKSA-N 428.308 2.229 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1557298933 FIQNWKAFYWHKBI-OAHLLOKOSA-N 432.571 2.067 30 10 IEEE N#CC1(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CCCCC1 1557526803 LITKHLKJABWHEC-UHFFFAOYSA-N 425.576 2.345 30 10 IEEE Cc1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1N1CCOCC1=O 1558626869 GWEUHTSMKFHXBZ-UHFFFAOYSA-N 431.445 2.047 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](O)COc3ccccc3)C2)C1 1566332919 SUVNIMQGQZUMLR-VQFNIZELSA-N 429.517 2.329 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1584858274 HWSPFPGUOTVRIX-UHFFFAOYSA-N 435.527 2.257 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1587674035 USQXHQKBGWHVPA-KRWDZBQOSA-N 444.499 2.348 30 10 IEEE C#CCN(c1nnc(COCC)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588074482 NKUJKZCTYBDAGS-KRWDZBQOSA-N 438.500 2.233 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589404482 JRNMDEYLXZFCIL-RHSMWYFYSA-N 445.383 2.096 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1594497579 JKEKKWVUFWDHMB-GOSISDBHSA-N 439.564 2.205 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1598205476 ZKMBZCOOWPUZPF-YADHBBJMSA-N 443.573 2.239 30 10 IEEE COC(=O)CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCCO1 1615540032 OWKQUBQVRHPXJK-GOSISDBHSA-N 426.435 2.217 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(F)F)CCN2C1=O 1615677399 VFOVWVNTKRNTQJ-INIZCTEOSA-N 443.458 2.335 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC2CCCCC2)CCOC1 1616205198 GFUOEKDUQSSRCF-FGZHOGPDSA-N 448.543 2.211 30 10 IEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)c(OC)n1 1619290284 HURHFHKODRYHEX-UHFFFAOYSA-N 436.472 2.026 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1624692587 QAQFUDWJYYGMHT-KRWDZBQOSA-N 447.536 2.391 30 10 IEEE C/C(=C/C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)CN1CCOCC1 1628597817 YBPRXGWUFPLATQ-NMIWIPSGSA-N 447.377 2.436 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)c(C#N)c(C)c3)CC2)c1 1628755430 UYCIVCLNYBRAKV-UHFFFAOYSA-N 443.525 2.339 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C(C)(C)C)CC2(C)C)s1 1632707126 VMVJUBYXEHVTTR-UHFFFAOYSA-N 441.619 2.250 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)CC1 1636475762 WKEMOFZGABMTFE-DLBZAZTESA-N 446.598 2.182 30 10 IEEE COc1nc(N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)ncc1Br 1636897454 DJYXZQXQIYASKE-UHFFFAOYSA-N 445.321 2.194 30 10 IEEE CCCCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1643806908 HCCBIOJCOAXUCU-UHFFFAOYSA-N 436.553 2.188 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN([S@](C)(=N)=O)CC1 1644938156 UVJYUVPXWLVZNY-DRKIFQHWSA-N 447.561 2.128 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](CC#N)C(F)(F)F 1645927032 RJAYCVKNHXXWAJ-DGCLKSJQSA-N 427.445 2.186 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)CC1 1646157108 CFRBNZDGKZOXAB-UHFFFAOYSA-N 434.901 2.447 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccccc3NC(=O)OCc3ccccc3)C2)c(=O)nc1O 1648790827 WESCXKORGBUISF-UHFFFAOYSA-N 445.435 2.266 30 10 IEEE C#CCOCCN(C)C(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1649063877 XGCMZNBFDMIIDK-UHFFFAOYSA-N 444.963 2.148 30 10 IEEE C#CCOCCSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1 1651699678 KEHQVECJNFPPPM-UHFFFAOYSA-N 431.583 2.330 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 1680685831 OFAHVYLOEBETKL-OXQOHEQNSA-N 429.583 2.314 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)nn1 1683483080 MNOZRABVSFPDTG-QGZVFWFLSA-N 436.520 2.411 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)c1C#N 1684615781 DHCFHPBQTOLBRF-NQIIRXRSSA-N 435.576 2.200 30 10 IEEE C#CCN(C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C1CCN(C)CC1 1686390610 RPPIHFVDRMYCAS-UHFFFAOYSA-N 431.480 2.348 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1689964817 YQFWEAZXHKLKAM-JTSKRJEESA-N 433.553 2.268 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689988979 ZTHRBMBVUWDDTG-CRAIPNDOSA-N 432.521 2.389 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(C)cn1 1690061421 XQUAZJSDKACZMF-UHFFFAOYSA-N 440.577 2.211 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(Br)cs2)CC1 1690124669 QVKPGIJPLCMNFU-AWEZNQCLSA-N 436.379 2.410 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690169672 KHWCUEYKWOVRHE-HNNXBMFYSA-N 429.571 2.416 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2F)C1 1690171274 YUDTXSWXLYVHOD-MSOLQXFVSA-N 429.521 2.313 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690292740 OLGGETXDXCIDJL-UHFFFAOYSA-N 425.537 2.097 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690301817 YWJGVEKLTKRORT-QFBILLFUSA-N 447.511 2.101 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690342131 BAVITNSSZKHJKC-GOSISDBHSA-N 425.924 2.176 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCN(C)C2)CC1 1690406712 PQNLFTLEYXEDMS-HSZRJFAPSA-N 427.549 2.431 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)c(OC)c2)C1 1690700270 PWOUXGHHAYLJIE-RBUKOAKNSA-N 446.573 2.327 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)s1 1693442893 PTBWUFRKQYTQAK-UHFFFAOYSA-N 436.545 2.311 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCSC)C1 1695949781 YRKVSPCDHOBOHO-GOSISDBHSA-N 448.618 2.478 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN(C)C(=O)OC(C)(C)C)CCOC1 1696023449 GMNJPIPYHKRHRP-KKSFZXQISA-N 436.557 2.393 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1696785238 GANMPRDKQOYNMI-IBGZPJMESA-N 430.516 2.200 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C[C@H]1OC 1698289347 GKSZQXNPRSFPAE-JQVVWYNYSA-N 442.589 2.104 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1705476936 HDUTUVDFHRUSMS-HOTGVXAUSA-N 443.573 2.385 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705483122 NXIXWLRYPPEHHI-WIYYLYMNSA-N 433.560 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1705699114 CNPMWRVZMVINCY-MANSERQUSA-N 438.594 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1705702154 KUKSKNJNNUZTIS-XLIONFOSSA-N 434.537 2.224 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1705735883 XUYHWZCLMXELME-WMZOPIPTSA-N 449.577 2.220 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705737523 TZZODCBKNXYMCV-LAUBAEHRSA-N 441.532 2.440 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1705819833 VLRMRJNMTHEGPX-LJQANCHMSA-N 444.561 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705937241 NNSPIHZRUFMLHF-UHFFFAOYSA-N 449.621 2.060 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705945831 SRQSXVOYVUHNBZ-ZIAGYGMSSA-N 433.500 2.206 30 10 IEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)cc1 1706100139 GHFLGCNKULWKEY-PMACEKPBSA-N 441.532 2.299 30 10 IEEE CC[C@@]1(C)CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1708856527 TTZSERXVVMUIKP-SJDLZYGOSA-N 436.516 2.477 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1712885436 KUHPWIKRDYSKOC-LJQANCHMSA-N 438.532 2.215 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722333165 HRZSLLBHSBIZDG-KRWDZBQOSA-N 425.493 2.215 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccc(C)c1 1722353953 GBBBWIIUSJALRO-UHFFFAOYSA-N 427.512 2.324 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722360953 XFKAMUAAZTUOSX-IBGZPJMESA-N 445.589 2.349 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722361713 OLECNGFVPWOQPT-MJGOQNOKSA-N 433.578 2.351 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1722365781 FJQOXWJGYSVWHY-QGZVFWFLSA-N 433.603 2.434 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1722367639 NGRHWKBEINXWRJ-JKSUJKDBSA-N 426.633 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)no1 1722394333 SETKRRWNQUALRF-UHFFFAOYSA-N 441.495 2.483 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1722426491 CKCKLBOIAVMIIO-ZIFCJYIRSA-N 431.581 2.197 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1722731821 DEVMQXYECHEAQH-UHFFFAOYSA-N 437.520 2.232 30 10 IEEE CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1723320972 YIVBDOMRLVLMFR-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1729565555 VXOMFWHECBDCDA-KRWDZBQOSA-N 444.561 2.409 30 10 IEEE COC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1729810475 UZVDWUMXFOUNKN-SFHVURJKSA-N 425.537 2.190 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CCCCCCO)cc1 1731184673 RHCRMJZZWIFZRF-OAQYLSRUSA-N 435.532 2.471 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1740628526 YNJMKUBUDGOSFE-MSOLQXFVSA-N 438.594 2.004 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC(=O)N1 1740631399 TWUYCONOODROLO-CQSZACIVSA-N 430.281 2.198 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC[C@]2(CCOC2)O1 1740636261 WYCUOOQKBPCCPA-NTKDMRAZSA-N 436.512 2.373 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOCC)CC1 1740759313 ILDVYYBOSDYZLC-REWPJTCUSA-N 440.592 2.404 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccs2)CC1 1740818618 PHMKLZXESWXKAF-KBXCAEBGSA-N 425.580 2.014 30 10 IEEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740870956 ZGXFADHASNLSHG-KRWDZBQOSA-N 436.520 2.452 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1740969380 YCTIUKKDDMHDNU-SJORKVTESA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(CC)[C@H](C)C1 1740993809 CPDUFQXJEWIYMS-LJQANCHMSA-N 431.606 2.195 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1741004112 PDHUQKCLLDEZQO-KRWDZBQOSA-N 439.589 2.398 30 10 IEEE Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1742882017 CEHPJMCVXDWSOR-UHFFFAOYSA-N 440.529 2.483 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1747603845 VKXSUZCGOJOZTD-HXUWFJFHSA-N 446.602 2.042 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC[S@](=O)CC)c1 1748692591 JENXGPJHRINQJZ-QPHCHLROSA-N 443.573 2.345 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C(N)=O)c1 1748774135 UGJUPZIBKNASPQ-UHFFFAOYSA-N 427.306 2.447 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748818456 BRRRLGPXSLDKHE-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCS2)CC1 1748978837 QADNPZNTEVUSKB-UGKGYDQZSA-N 433.622 2.360 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1748990204 VRVRZJXKNSJOGY-TZIWHRDSSA-N 441.601 2.048 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1749040514 ZGDYULCQLPUNPF-UHFFFAOYSA-N 439.589 2.014 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749668579 AJFZWKVGFDHTIE-MRXNPFEDSA-N 446.502 2.079 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749730924 VXDCMOUXGZFRKV-QGZVFWFLSA-N 436.582 2.063 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1749734771 MOBYZOMLFBDYKB-KRWDZBQOSA-N 426.489 2.297 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCSC[C@H]1C 1749737178 YUEFUAKOPBGKTR-CYBMUJFWSA-N 427.621 2.176 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1749756006 QAINCFLEBMOCCI-OAHLLOKOSA-N 425.580 2.341 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)C1 1750377877 BHWXARYFORXLSS-JXFKEZNVSA-N 439.557 2.362 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCOCC1 1750417107 AKZITAVTQWTREW-ZZEZOPTASA-N 442.907 2.352 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)n1 1751834293 CAZIBRKAKZNYBQ-MBSDFSHPSA-N 435.532 2.188 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760129722 WTRUDGQZZSPSRC-SFHVURJKSA-N 425.537 2.468 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1760235552 QECQSCOTQOLHJY-RXVVDRJESA-N 425.533 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@](C)(O)CC)CC1 1760271871 PQCNMVOGTCMCCP-VWLOTQADSA-N 448.571 2.477 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760273131 JJLBBJHRFPTQPI-KRWDZBQOSA-N 446.621 2.012 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1760283911 CNQGCSOSXBSERL-IBGZPJMESA-N 427.574 2.349 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760357407 JBZHJXUMGOZRGN-UHFFFAOYSA-N 427.615 2.225 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[S@](=O)C(C)(C)C 1760503394 HUUPZQJQIWRYFC-PMERELPUSA-N 437.566 2.192 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1766959337 JJGLIUQVBBRHPR-ROUUACIJSA-N 429.546 2.255 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1768280702 FXNAANSCCDXMJV-INIZCTEOSA-N 446.577 2.150 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1768438413 WYNLSCRARHRAQF-IBGZPJMESA-N 433.520 2.118 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1770525576 XPUUTYYNFYUWKH-SFHVURJKSA-N 449.602 2.210 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1770756520 IAZHDQCHXBPMLY-KURKYZTESA-N 444.486 2.297 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770797006 UDWWHVQCEKJINW-LEWJYISDSA-N 442.539 2.350 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)OCCO2 1771112040 DVAATOOPGAAKRS-SFHVURJKSA-N 427.505 2.358 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c(CC3CC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1771342914 FQKIEQGUKNGYRM-FQEVSTJZSA-N 433.509 2.155 30 10 IEEE COCc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc(F)c(C)c1 1850574856 LNNXAFZFYYELNF-UHFFFAOYSA-N 435.463 2.090 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Cl 1852300429 RGCLOIBHFSEZJS-HNNXBMFYSA-N 430.983 2.362 30 10 IEEE C[C@@H]1C[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)N(C(=O)OC(C)(C)C)C1 1852534958 KRSYPHJNEDTYLK-IEBWSBKVSA-N 443.548 2.264 30 10 IEEE C=CCN(CC=C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1855265387 AJERSEQTMRTKRI-FQEVSTJZSA-N 431.558 2.276 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)c3cnn4c3OCCC4)C(=O)C23CCCC3)s1 1855630087 QGITYOVUFSQYJT-UHFFFAOYSA-N 425.514 2.396 30 10 IEEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccccc1)N1CCCC1 1869931891 LDFLZVVSFWWBHS-VQTJNVASSA-N 440.569 2.457 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1985010190 ZBRROQDIZYGVLT-PMPSAXMXSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1cccc(Br)c1C#N 2118202207 XIKCDZQBPBHLOH-GOSISDBHSA-N 426.311 2.413 30 10 IEEE COCC(COC)CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2199383216 JQLICDWXUGWXPH-UHFFFAOYSA-N 429.164 2.489 30 10 IEEE CC(C)(C)OC(=O)NCCCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243667391 HCOHIXOJQFWVIX-UHFFFAOYSA-N 425.360 2.363 30 10 IEEE Cn1ncc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2255542235 ORAIYGCALTZYOU-LJQANCHMSA-N 425.338 2.133 30 10 IEEE Cc1cnc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255604232 CXWIIHJDCCFSOY-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CC[C@@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2255609357 GFUGIHRWQQCRMV-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632668 PQSHEPDOKQOSIA-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255636873 AQCJJXORUHNSDM-YEJXKQKISA-N 449.382 2.429 30 10 IEEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255827143 VOOGPULLSOZPFJ-CQSZACIVSA-N 434.346 2.180 30 10 IEEE Cc1sc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2255842481 SDAGYMIEXUZXAC-NWDGAFQWSA-N 444.284 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255861539 NQJIHVXBOPVGFI-OIISXLGYSA-N 431.342 2.442 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cn1 2256669242 MQDQHDVYRKGSMU-UHFFFAOYSA-N 447.326 2.254 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2256678461 NRZLQEMYZXLNBD-YWVIFJGQSA-N 449.382 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256928901 XEHWJDTVWZDAOR-XJKSGUPXSA-N 438.305 2.438 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@H]1NC(=O)OC(C)(C)C 2267482335 BRUWUHONXGOGDY-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267482714 HVNMBVOANFVHSG-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1cnc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267578141 UZVBKKOOEJJRNA-SCAQPMJSSA-N 443.353 2.284 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876816 PRXXYTRLQYSEQB-GJZGRUSLSA-N 446.357 2.199 30 10 IEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267880272 RQQYSCPLTVICFY-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268633139 ATGNAKKCCOUHNW-WMLDXEAASA-N 447.341 2.344 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)nc(O)c2[C@H]1C=Cc1ccccc1 2293273378 AQWSVHHQRRDSFH-DLBZAZTESA-N 433.468 2.414 30 10 IEEE COc1ccccc1[C@H]1C(=C(O)c2ccncc2)C(=O)C(=O)N1CCCN1CCOCC1 2296139138 VEYXOCNRPUAVSS-NRFANRHFSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2298375889 JQOPSKKLSGMXMX-RWMBFGLXSA-N 435.355 2.180 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2300333864 LCVYLYOFSPURKH-OPAMFIHVSA-N 425.363 2.447 30 10 IEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327888738 HWWSYZAOENWIMC-HNNXBMFYSA-N 447.561 2.463 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335394622 DLEOEWGBENSXRO-HOTGVXAUSA-N 445.379 2.327 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345734994 HBIVYQGQMWBGDI-AWEZNQCLSA-N 449.332 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2ccc(Br)cc2C#N)C1 2379815022 DBMFABHXKGHZQS-INIZCTEOSA-N 435.322 2.492 30 10 IEEE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)Nc3nnc(C)s3)n2)cc1OC 20832255 KSKANTBTNOCPJP-REZTVBANSA-N 434.507 2.159 30 10 IEEE O=C(CCSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1)Nc1ccccn1 21075583 JKDCVEUTWRFATK-VXLYETTFSA-N 428.434 2.380 30 10 IEEE CS(=O)(=O)Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 109934520 ROLZVIASAPZFCX-SFHVURJKSA-N 429.523 2.257 30 10 IEEE COc1ccccc1N1C(=NC(=O)c2ccc3c(c2)OCO3)S[C@H]2CS(=O)(=O)C[C@H]21 254532188 VKCVQDZGGGLNHL-KDOFPFPSSA-N 446.506 2.339 30 10 IEEE N#Cc1ccc([C@@H](C(N)=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 261411335 CZSCGZFIEVHAEJ-FQEVSTJZSA-N 445.445 2.360 30 10 IEEE COc1cccc(N2CC[C@H](C/N=C3/NC[C@@H]4CN(C(=O)OC(C)(C)C)CCN34)C2)c1 304998723 GPEUJJJSJNZSBH-IEBWSBKVSA-N 429.565 2.402 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(C2CCC2)c1=O 430988986 QULVGLUWRYTUAM-UHFFFAOYSA-N 434.521 2.246 30 10 IEEE CN(C)CCn1ncc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1-c1ccccc1 431628662 SAZNXDVIIJRROK-UHFFFAOYSA-N 429.528 2.341 30 10 IEEE N#Cc1cnc2c(Br)cccc2c1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 440669364 FHFUHZNREMCQEK-AWEZNQCLSA-N 435.347 2.178 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 466107172 LSTBZTKUXLHNTP-QFIPXVFZSA-N 433.512 2.070 30 10 IEEE C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1 487099045 TYIWKEYRHLZZPQ-IERDGZPVSA-N 429.484 2.300 30 10 IEEE C[C@@H]1C(=O)Nc2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)ccc2N1C 495109931 HSUFUOOUWRDTIV-YJYMSZOUSA-N 435.509 2.489 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 495774487 KHDFJEXSHGHTQE-IBGZPJMESA-N 426.517 2.297 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 507710152 VPVVMBYZFTZZRC-PGPPMQCXSA-N 431.625 2.371 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](O)(C(F)(F)F)C1 508919036 OTMPMMFCPLYYLE-QGZVFWFLSA-N 430.452 2.428 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 510133296 JULQENLTANBZBG-MSOLQXFVSA-N 425.489 2.098 30 10 IEEE CC(C)CN(C(=O)CN1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 517133509 JIKIGUALVWECLD-IBGZPJMESA-N 433.574 2.073 30 10 IEEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 517483593 YMHHTJBWWRTLPA-AWEZNQCLSA-N 441.509 2.070 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1 523652660 AYWMASCQLHHWIL-UHFFFAOYSA-N 430.485 2.500 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 524227155 CTILQXZBJKQLPB-UHFFFAOYSA-N 445.463 2.437 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)s1 532165161 RMPSYQSNWHNOCF-UHFFFAOYSA-N 443.594 2.119 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCS(=O)(=O)NCC2CCC2)n1 542025211 AOVDUKPRLDCYKK-UHFFFAOYSA-N 436.925 2.238 30 10 IEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 549639324 IEEUGTXXZJZUII-IBGZPJMESA-N 429.569 2.491 30 10 IEEE Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 553386722 AFSBHGXSSKXXCW-UHFFFAOYSA-N 446.536 2.350 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)CC1 558019072 ICRZRDDSHQOFFK-UHFFFAOYSA-N 442.516 2.304 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2C[C@@H]2CCCCO2)cc1 559172366 DGDCJCOMUQJAKX-FQEVSTJZSA-N 435.532 2.380 30 10 IEEE Cc1cnn(-c2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2F)c1 570373097 UUHFMLORBCOVCJ-UHFFFAOYSA-N 426.477 2.097 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(F)c1 609253710 IRIKOUAJKJQPPJ-UHFFFAOYSA-N 434.468 2.443 30 10 IEEE COC(=O)C(C)(C)[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 611406172 VGIQZTKEGZUGLH-FQEVSTJZSA-N 439.516 2.033 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@](O)(CN(C)C)C1 618923852 LLUSPQYNTFONLO-IBGZPJMESA-N 440.338 2.013 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)c(Cl)c1 727416696 YBYOHDFXNKEUDB-UHFFFAOYSA-N 429.860 2.066 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665006 SLDNSPYLGYZPFH-RBBKRZOGSA-N 440.569 2.341 30 10 IEEE CCc1nc(COc2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2)no1 734704731 YTVDJGDRCGRWAZ-UHFFFAOYSA-N 426.454 2.342 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 735339762 JKHJQJODQQBUIW-UHFFFAOYSA-N 439.855 2.357 30 10 IEEE CC(=O)N1CCN(C(=O)CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 740049274 CNXAKDJLCITZBO-UHFFFAOYSA-N 439.541 2.167 30 10 IEEE COc1ccc(CNC(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1C#N 746773576 XESVXXYPTCMGBH-OAHLLOKOSA-N 428.493 2.075 30 10 IEEE Cc1csc([C@@](O)(CC(=O)N2CCN(c3ncccc3C#N)CC2)C(F)(F)F)n1 746822780 IDCFLVUWKSNLNX-KRWDZBQOSA-N 425.436 2.207 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NC1CCN(c2ccccc2C#N)CC1 749533916 RLMPLFUROAWTHR-UHFFFAOYSA-N 432.528 2.468 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cn(-c3ccccc3)nn2)C1=O 756076912 CCYPWIIFVPGOIQ-IBGZPJMESA-N 445.508 2.407 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)O[C@@H](C)C(=O)N(C)CCC#N 756744035 AMXOKDLZSUISHX-OLZOCXBDSA-N 445.335 2.163 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(F)cc(F)c2)c1=O 758060756 MITFBKJMCLOKCG-UHFFFAOYSA-N 436.439 2.216 30 10 IEEE COc1ccc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)cc1C(N)=O 765232237 BTGVGZXSVLGEEU-UHFFFAOYSA-N 441.259 2.205 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2nc3c(cc2C#N)CCCC3)C1=O 776349217 AYZWENGHNOYLBG-QHCPKHFHSA-N 433.468 2.246 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 779612274 BFXRAPIBSHLODR-ZDKIGPTLSA-N 425.510 2.444 30 10 IEEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1COc2ccccc2O1 780174957 FRAZVGRMNZDYAB-SMASLZHESA-N 432.473 2.136 30 10 IEEE Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)OCCn1ncc(C#N)c1N 780356770 ZCXOMLIRDJPUFB-UHFFFAOYSA-N 433.394 2.339 30 10 IEEE N#Cc1ccc(COC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 791243570 TUBGJHARQMPOSO-UHFFFAOYSA-N 434.445 2.270 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 802601046 YXFDJANNMJRJJH-QFIPXVFZSA-N 427.505 2.276 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802722674 WYHPLVDONTZMBA-UHFFFAOYSA-N 438.516 2.432 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 809917178 GWAHVMJAVXLZIL-ZWKOTPCHSA-N 448.568 2.077 30 10 IEEE C#CCN(c1nnc(C23CC4CC(CC(C4)C2)C3)n1CCOC)[C@H]1CCS(=O)(=O)C1 812150746 YHRCPUCWFOJELT-ONUXSRJRSA-N 432.590 2.019 30 10 IEEE COc1cc(C=NOCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F 849981323 YOZBQEJNYCAYID-OAHLLOKOSA-N 448.488 2.319 30 10 IEEE Cc1cc(-c2nnc(COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)o2)c(C)o1 916420521 NNMCXRLJEMVMPN-UHFFFAOYSA-N 430.442 2.118 30 10 IEEE N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 920108795 BVGNNRIMPVXGRL-PXAZEXFGSA-N 441.390 2.436 30 10 IEEE COc1cccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)c1O 1084033372 MRHSHUVCXQUPDI-UHFFFAOYSA-N 442.457 2.424 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2)C1 1136755843 JOQYUEFVUMZSMD-VQFNIZELSA-N 430.549 2.387 30 10 IEEE C#C[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)c1ccc(Br)cc1 1141460732 FLKBVOSNNPFCRV-OAHLLOKOSA-N 440.294 2.138 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)c1 1142724743 FXXHYJOQTSBQPE-KRWDZBQOSA-N 449.326 2.203 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)c1 1155551780 OEXYWOPAFDRDLT-HXUWFJFHSA-N 439.468 2.456 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 1163652398 QUKUFNCQYWZMIW-KRWDZBQOSA-N 439.497 2.395 30 10 IEEE CC(C)OC(=O)c1cccc(-c2nnn(CC#CCN3C(=O)c4ccccc4C3=O)n2)c1 1165346064 OXVHVHMUHOCULQ-UHFFFAOYSA-N 429.436 2.205 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc(OC)c(OC)c1 1167122111 ZWNLGEFRBQMAMF-OAHLLOKOSA-N 432.502 2.335 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCN(c3ncc(Br)c(OC)n3)CC2)cc1 1167571978 FRCBQAYORKYCSG-UHFFFAOYSA-N 444.333 2.380 30 10 IEEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1198420907 BPCKFFQBLNZSGA-JXFKEZNVSA-N 449.393 2.225 30 10 IEEE Cn1cc(CNC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 1226081787 DVNCTMJQFVSTKK-XMMPIXPASA-N 428.496 2.297 30 10 IEEE O=C(NC[C@H]1CCCS1(=O)=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1228370986 RJEHATUDXSKCDS-HLTSFMKQSA-N 444.344 2.376 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)n1 1271204164 DVYNOKAAZMWHEU-UHFFFAOYSA-N 437.500 2.223 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(OCCOC)CCOCC1 1286289349 LTZKIXIQBIBPBP-KRWDZBQOSA-N 442.516 2.344 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1286293872 TXWPWOCETOLXLS-ROUUACIJSA-N 447.580 2.392 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1286348870 ARNHAYRGHAHJBG-PXNSSMCTSA-N 443.573 2.148 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCCC)CC1 1286349820 PHIOMQBTJIKJED-LJQANCHMSA-N 449.621 2.116 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286392442 HAQGKLVBDLUYEO-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1286393350 DOLYNAREJUURQR-ZBFHGGJFSA-N 437.591 2.010 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1286427883 OJAXODVCCCVRJW-MSOLQXFVSA-N 449.527 2.034 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)COc2ccccc2OC)CC1 1286476665 CUHJIZATYOEDLX-IBGZPJMESA-N 447.543 2.214 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286536504 PQXQIIDFFOGSLD-RVKKMQEKSA-N 445.358 2.295 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286562070 QCTWAXLQLCZZHL-HOJAQTOUSA-N 441.580 2.401 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286631950 BNKWLHFDWIEJOB-UHFFFAOYSA-N 437.935 2.442 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1286689250 ZKDMBVISGYRSAD-KRWDZBQOSA-N 426.583 2.372 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOC[C@H](C2CCC2)C1 1286818657 LWYNFABYZSLIGV-GOSISDBHSA-N 431.562 2.194 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1287090069 WCTLFEKOTFYNDS-MTQWCTHYSA-N 447.580 2.369 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1294896937 BZGCSTFAGIWWPL-UXHICEINSA-N 438.532 2.495 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1295991590 KCKXRFOXJWWIDT-VDIKGSQVSA-N 449.559 2.390 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCCC3)CCOCC2)CCOC1 1296525793 FIIYEUPTOPQZBL-XXBNENTESA-N 446.596 2.171 30 10 IEEE CN(CC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1298491704 XWBIQTWSQWTUAZ-CZIZESTLSA-N 437.460 2.226 30 10 IEEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCNC(C)=O)cc(OC)c1OC 1299845765 BDPILEIBUTYTDU-UHFFFAOYSA-N 442.520 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300292586 KGAZMIBRWBOULY-LJQANCHMSA-N 429.528 2.147 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300358572 YUVAXHBLQLWSQJ-UGKGYDQZSA-N 437.592 2.456 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300487470 JVRCJGIXQXIKID-MSOLQXFVSA-N 447.580 2.441 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1Cc1ccccc1 1300505482 BFYTXLBZZPIPKX-JOCHJYFZSA-N 430.556 2.252 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)F 1300648171 ABYXCOZGDNLVIL-UHFFFAOYSA-N 442.445 2.424 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1300779640 CGGUAPKBGBRJKD-HTAPYJJXSA-N 444.605 2.303 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1300806028 OUCSCJUHSJELQF-FDDCHVKYSA-N 442.585 2.448 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccs2)CC1 1300973346 YPUGVOAAGROHNG-UHFFFAOYSA-N 430.578 2.495 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1301817295 KZYUMDHFPMMMTK-UHFFFAOYSA-N 439.472 2.328 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2=CCCOC2)c1 1302427529 LRUQDMMPTKMNOG-UHFFFAOYSA-N 427.530 2.435 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1304907149 OWMAQCFWWXYYLP-BMGDILEWSA-N 426.521 2.377 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CCC2(C)C)CC1 1308014306 MKNDVUDFRVNVOP-LJQANCHMSA-N 435.613 2.400 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1315869412 ITKVTLNACDIALC-NRFANRHFSA-N 439.516 2.317 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1358872739 YJDGJEUXBVKKJP-OLZOCXBDSA-N 429.468 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1358990060 ZOQKHKYAPDTKGQ-QFIPXVFZSA-N 426.542 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1359044333 CJYBUHIKQNVPHU-HXUWFJFHSA-N 442.608 2.012 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359147450 GYTLSCJWGXDSJY-UHFFFAOYSA-N 429.956 2.227 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CC1 1359179162 NPDPEODLHAHPLU-INIZCTEOSA-N 435.525 2.196 30 10 IEEE CO[C@@]1(CO)CCCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1453044711 QHSADCTVDCEUJO-CVDCTZTESA-N 429.517 2.392 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 1471832396 DEVGDAPZLRSXAB-CYBMUJFWSA-N 430.357 2.262 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)s1 1492765424 GPBSSDYTRLAWHW-AWEZNQCLSA-N 436.545 2.276 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC2(C1)OCCO2 1496790922 SBKXMRLGSOQJQQ-KRWDZBQOSA-N 430.553 2.480 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCO1 1504735158 KSOWGXXKKWXZPH-ICSRJNTNSA-N 427.505 2.007 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1504974059 LUQPIYXOCMKQSI-AUSIDOKSSA-N 447.628 2.158 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1507629123 ZSFOEECJUZKWQF-VQTJNVASSA-N 430.574 2.483 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507630426 YQSUOBZELRSESQ-AZUAARDMSA-N 428.558 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN2CCCCC2)CC1 1507740856 ZZDXVCUAQXGCAX-UHFFFAOYSA-N 426.609 2.463 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1507848023 TWRYHZFGCBSBQY-UHFFFAOYSA-N 446.596 2.076 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1508006558 HWADEQFHJDGABC-DOTOQJQBSA-N 449.602 2.308 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1Cc2ccccc2O[C@@H](C)C1 1508072657 HLCVAMAVAIUPLM-IRXDYDNUSA-N 429.521 2.092 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1508080628 QDILADXOLHZMLV-UHFFFAOYSA-N 436.476 2.058 30 10 IEEE CC(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508829560 WHECBMDHGQYMQE-UHFFFAOYSA-N 437.548 2.318 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCCNS(C)(=O)=O)C1 1510293081 QMBAWIXGSJNEMS-OAQYLSRUSA-N 430.578 2.133 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCCCCO)CC2)c1C#N 1511662590 KITBPJJIRAPLSY-UHFFFAOYSA-N 428.585 2.270 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1514173893 QYYAVMGNLMMZGG-SJTPKYKMSA-N 446.577 2.030 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1521155003 NPLRYRQAHGRXIO-KRWDZBQOSA-N 425.468 2.202 30 10 IEEE Cc1cc(NC(=O)Cc2ccc(Br)cc2C#N)n([C@H]2CCS(=O)(=O)C2)n1 1531800391 YVLLRTNPJQOWSR-HNNXBMFYSA-N 437.319 2.367 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCn1cc(Br)ccc1=O 1534381611 BJNNWTBIZYTSMK-CQSZACIVSA-N 441.326 2.314 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 1534448561 YHKPNNZMNXZIRV-SFHVURJKSA-N 427.461 2.188 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2I)co1 1535357333 LJQNRRSIFLSXHY-UHFFFAOYSA-N 445.238 2.258 30 10 IEEE C[C@@]1(C#N)CN(C(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCO1 1536619802 STMUOYGPPGKKSK-GOSISDBHSA-N 425.938 2.462 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C2CC2)N(C)C)c1 1539043391 PVYMPYVXNAIFHT-PZJWPPBQSA-N 436.560 2.178 30 10 IEEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1539124798 HWLZKHLPULMGDK-UHFFFAOYSA-N 439.626 2.157 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539220674 UUNMVGIUZYVGFV-DENIHFKCSA-N 448.564 2.042 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1539649886 FIVFEQXJRRJAGW-HNNXBMFYSA-N 435.550 2.110 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1539666914 BXVMCQYVUJOJRN-MRXNPFEDSA-N 445.572 2.367 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540019461 AREXZFJPQAJGEP-IBGZPJMESA-N 449.353 2.487 30 10 IEEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1540021785 YTVLXCYMUKVTLG-INIZCTEOSA-N 438.525 2.385 30 10 IEEE C[C@H](OCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1541987807 GEZWNONIDZSACK-AZUAARDMSA-N 438.532 2.297 30 10 IEEE Cc1ncoc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369667 ZXWJKKHSUXHCQY-QGZVFWFLSA-N 447.417 2.483 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1554371939 CFTVZYWZYSVYHR-JOCHJYFZSA-N 436.495 2.345 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CF 1555546385 UQCIHQYROINNTH-CEXWTWQISA-N 447.536 2.235 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cccs2)cc1 1555989225 CUQOCYPAYREGCZ-QGZVFWFLSA-N 433.497 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)C1 1568062604 MOJXSDPLMRHLGR-JOCHJYFZSA-N 444.536 2.055 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182532 NDGRAMPHJOIQJR-APWZRJJASA-N 449.573 2.277 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCOCC34CCCC4)CC2)cc1 1586528494 VNGFWJZJBQXDRD-FQEVSTJZSA-N 431.558 2.424 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588040412 MPUHFHXQHJWGOC-SFTDATJTSA-N 440.569 2.479 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)CC1 1594122681 UUDIBSNGADPKRC-UHFFFAOYSA-N 434.342 2.216 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1594732547 GCCUWJCUFXVWBI-INIZCTEOSA-N 439.582 2.121 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1594856542 GVBLMXOPVQNZHG-PBHICJAKSA-N 441.001 2.467 30 10 IEEE COC(=O)C(C)(C)CN(CC(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1596454946 XLUVTRCCBQGPCM-SFHVURJKSA-N 442.516 2.447 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1596530329 ACMAVIBZKVISNQ-GCJKJVERSA-N 440.573 2.037 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1598205471 ZKMBZCOOWPUZPF-FGZHOGPDSA-N 443.573 2.239 30 10 IEEE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)NCC#C[C@@H]1CCCCO1 1606801050 CDSFQMIFEXSYIY-GBXCKJPGSA-N 445.519 2.189 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCOC[C@H]2CCCO2)n1 1612490016 UNWBNEBLTNEEQS-HXUWFJFHSA-N 427.553 2.465 30 10 IEEE CCNC(=O)c1ccc(Cn2c(CC)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1615929909 BQKBBPMLPXJYKU-UHFFFAOYSA-N 444.543 2.232 30 10 IEEE N#C[C@]12CN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)C[C@H]1CS(=O)(=O)C2 1616329504 TXYJTXHWWNKSLO-IFXJQAMLSA-N 435.958 2.327 30 10 IEEE CN(Cc1ccsc1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1617998088 AGKFMVKACDGMED-MRCUWXFGSA-N 449.540 2.488 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cccnc2N2CCOCC2)CC1 1624116080 MGABSSVEABCJIK-UHFFFAOYSA-N 428.533 2.185 30 10 IEEE COc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(Cl)cc1C(N)=O 1627333574 SZKWOZFSVNSGCJ-UHFFFAOYSA-N 425.825 2.136 30 10 IEEE C[C@H](C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)N(C)CC(F)(F)F 1627570063 RRXGFDKLWXVBAS-HLTSFMKQSA-N 431.299 2.469 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@H](n3nncc3I)C2)ccc1F 1633071841 CZQPZJTXCRKPEU-LBPRGKRZSA-N 425.205 2.371 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)s1 1634403979 QJQUTNGQXNGUDD-DIFFPNOSSA-N 428.967 2.333 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1635186733 DRBWOULVZSFUHH-MRXNPFEDSA-N 435.521 2.144 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1ccccc1C(F)(F)F 1635672077 CABKEOKYMHTQBV-SJKOYZFVSA-N 441.431 2.094 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1C 1641450078 RMUQFSAYNAJQGP-QGZVFWFLSA-N 429.546 2.187 30 10 IEEE Cc1cc([C@@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c(O)cc1Cl 1642091237 ZKVVDTFLCITUPC-CYBMUJFWSA-N 433.917 2.409 30 10 IEEE N#Cc1cnc(NC[C@H](O)COc2ccc(I)cc2)c([N+](=O)[O-])c1 1642218270 NFGYVNJJKFQDCR-LBPRGKRZSA-N 440.197 2.318 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OCC)[C@H](O)c1cccnc1 1642606273 FXZURYQZPDXMFQ-ARFHVFGLSA-N 441.912 2.199 30 10 IEEE C#CCOCCC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1646283294 PMYLMMCRVNMIHX-SFHVURJKSA-N 445.564 2.213 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)nc1 1652328181 BHSFZEIASUDCJH-LJQANCHMSA-N 439.541 2.454 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)CCO2)cc1 1652919759 PNRHXCXSRBQKIT-FQEVSTJZSA-N 431.489 2.356 30 10 IEEE C#C[C@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)c1ccc(Br)cc1 1664132749 AFKIWXCUCGBTTM-KRWDZBQOSA-N 439.379 2.477 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)cc1Br 1666604433 RPENWJFWMBZUFD-ZDUSSCGKSA-N 426.329 2.093 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](c3ccncc3)C3(CO)CCC3)C2=O)cc1 1672353974 URWOYZPKLOIWIN-NHCUHLMSSA-N 433.512 2.257 30 10 IEEE C#C[C@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1673018585 PFCNORKVQROWFK-OAQYLSRUSA-N 436.578 2.477 30 10 IEEE C#CCOc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 1678336936 NVNSKCGRKQHZFZ-UHFFFAOYSA-N 440.931 2.500 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)nc1 1685331551 YXRHNXFWYWTQFF-OAQYLSRUSA-N 448.527 2.018 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1689944474 RPMLZOKFVLLUIN-INIZCTEOSA-N 439.520 2.394 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CCCO1 1690047726 XNXKFMBCEQQOMM-XMMPIXPASA-N 433.560 2.484 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NCC 1690103441 CQPMFKKWSXGKCA-LJQANCHMSA-N 441.532 2.039 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2csc(C)n2)CC1 1690113285 FMUOBLFZUUKBIE-JOCHJYFZSA-N 444.605 2.082 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(OCCOC)CC1 1690244369 WVUTWGVJWDKKOO-YLJYHZDGSA-N 428.537 2.348 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690253393 PYJARDGHNONMEA-ONTIZHBOSA-N 432.613 2.012 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690399038 MDGYLQAKMRDYSJ-NRFANRHFSA-N 438.594 2.157 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690655279 NDNWCAPCIHFGJU-RTBURBONSA-N 431.581 2.458 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1690665509 GMKAEHZLWBAZFD-KRWDZBQOSA-N 435.536 2.095 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1690667605 ADUJFVWOVZDTPA-UHFFFAOYSA-N 449.559 2.044 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)CC1COC(C)(C)OC1 1690676198 SEUPLAXAJPIMLF-UHFFFAOYSA-N 443.548 2.303 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2snnc2C)C1 1690687567 DTPAVHRIFRJGEU-OXQOHEQNSA-N 434.566 2.308 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN(C)CC(F)(F)F)C1 1690696360 ASZQUCSKACVTDK-OAHLLOKOSA-N 425.459 2.401 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS1 1694791045 FIZHAPZEGYZQFP-QZTJIDSGSA-N 426.546 2.339 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1695048776 SXINTCDHKIUUEG-GOTSBHOMSA-N 441.532 2.276 30 10 IEEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)n1 1696866046 CIGLOPPQCXCHOF-UHFFFAOYSA-N 443.533 2.419 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)C1 1698298582 QNDDOKLDCBPCOM-HNNXBMFYSA-N 443.451 2.367 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCOCc2ccccc2)CCO1 1698490963 MTJAXUIJNNJHKL-FQEVSTJZSA-N 438.532 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1705495811 VVZKUZSDIYSXFD-LQWHRVPQSA-N 425.533 2.217 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1705503179 QMQHECGZTWMBBJ-CQSZACIVSA-N 442.570 2.219 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1705524397 LCKFEJPDEDLABM-JLAWEPINSA-N 436.626 2.002 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705565870 JSAQFJGFWFPBPW-OALUTQOASA-N 445.589 2.458 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705670722 HBXZWLGPRQGBAW-FGZHOGPDSA-N 428.558 2.049 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1705691390 FIBUZPUNXLDFNV-OAHLLOKOSA-N 436.358 2.140 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1 1705693488 HFWHDCWPLNLBSW-HKUYNNGSSA-N 436.520 2.277 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1705714386 OYGKHCGNFHFYOZ-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1705719780 KVKIULHAYDTQIG-UHFFFAOYSA-N 434.504 2.342 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1705856995 MZULOFOVEAXWHW-HXOBKFHXSA-N 438.532 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)C1CC1 1705900888 SLURQBDPRLRZCY-UHFFFAOYSA-N 435.532 2.356 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1705907170 CMNYJTDCLQEJAJ-KRWDZBQOSA-N 427.549 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CCOCC2)C1 1705920229 SZAGQAUKFWJIMB-FXAWDEMLSA-N 442.520 2.355 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1706069711 GJRCZPVUWCIPKZ-UONOGXRCSA-N 440.957 2.217 30 10 IEEE CCCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1709871990 HFCXJZAMFZNAKU-LJQANCHMSA-N 436.520 2.101 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1711165831 CYCSNZUKQKXXRC-HSZRJFAPSA-N 441.532 2.458 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1711432167 TUBHJHSELCIMDI-SFHVURJKSA-N 429.546 2.322 30 10 IEEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1711859226 YRPRKKGSVNAOBZ-JOCHJYFZSA-N 442.495 2.181 30 10 IEEE COCCOc1ccccc1Cn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712580114 KWMGFGUIGOHPIT-UHFFFAOYSA-N 433.516 2.253 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccccn1)C1CC1 1712698317 HSNCJYLAENWCRK-UHFFFAOYSA-N 436.541 2.468 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCC=CO2)c1 1722309115 JFHFIYNAVPKUPW-IBGZPJMESA-N 429.484 2.484 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(Br)n1 1722373487 IVUVWVFWNBISOW-FQEVSTJZSA-N 444.333 2.209 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1-n1cccn1 1722390087 AVFJMUFJWKVNKN-DEOSSOPVSA-N 445.527 2.022 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(CC(F)(F)F)C1 1722417852 WEOHRQXCKRGGAE-ULQDDVLXSA-N 429.487 2.346 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1722518555 VIEMOPLUGAUEAA-UHFFFAOYSA-N 432.491 2.083 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@@H]1OC 1722676966 PWVABLJWOVYAEG-WDSOQIARSA-N 429.521 2.109 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1727390853 CGNCZHJJNOBVLP-JDAKFOBDSA-N 436.516 2.259 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccnc2-n2cccn2)CCOC1 1728752493 BNYZFNMLZFPQAW-VGOFRKELSA-N 436.520 2.298 30 10 IEEE CN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1729503632 HWCQIIHFNQXQAF-UHFFFAOYSA-N 444.586 2.449 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1731114504 MYIUFOGPYWHKOH-IBGZPJMESA-N 428.562 2.301 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740588182 KVJNGXIWKZRZFE-SFHVURJKSA-N 431.544 2.019 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC 1740640707 UOOQOFDFIYGTOK-LJQANCHMSA-N 426.542 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1-c1ccccc1 1740660945 JZXIDLVAAPEVMG-UGKGYDQZSA-N 445.527 2.094 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCn2cncn2)CC1 1740690724 LZLJRRDRUDLMBB-FQEVSTJZSA-N 434.548 2.082 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCN(C(C)C)CC2)CC1 1740694065 XKCMLMSHGJYEPJ-UHFFFAOYSA-N 440.567 2.075 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740808806 YABJGELYOOHBSD-UZLBHIALSA-N 445.999 2.415 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740826918 CCOPXIBJQZYCAB-UHFFFAOYSA-N 438.557 2.377 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1740965013 KUHCPTVYIDHIDW-QHCPKHFHSA-N 425.533 2.184 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@](O)(c3cccc(F)c3)C2)nnc1C(C)(C)C 1740994724 VNCGKTOMXPBCLQ-OAQYLSRUSA-N 436.553 2.413 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CCc2ccccc2)C1 1748732241 WTKRGRMQFBRKFG-UYAOXDASSA-N 445.589 2.140 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1748815343 PFZDXBQGXNUSJU-IBGZPJMESA-N 443.573 2.092 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cccc2SC)CC1 1748994370 FCFYIACTYQCSRS-UHFFFAOYSA-N 442.564 2.065 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(N)=O)CC1 1749219666 OJHSPQIPBGUFHI-UHFFFAOYSA-N 441.532 2.401 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749450553 LKJWBGYSEBFDBE-ICSRJNTNSA-N 440.548 2.326 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCC(=O)N1 1750473567 LLCFEEITMZINBQ-QGZVFWFLSA-N 439.539 2.483 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1750561902 BUUBKGDNJACRAK-HNNXBMFYSA-N 436.520 2.495 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1750883564 UCMGLNWOPAGBHH-UHFFFAOYSA-N 431.548 2.274 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1751095290 CBZZQLNSOMJHBI-NVXWUHKLSA-N 444.540 2.107 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760165074 IMWKBMXHDBCXIM-PWHSHALESA-N 433.597 2.276 30 10 IEEE C#CCN(c1nnc(CC)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760186741 QPHKLLQQLYNYHO-AQNXPRMDSA-N 435.638 2.225 30 10 IEEE C#CCN(c1nnc(CC)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1760188039 ZJJYODMBPWZWHE-HXUWFJFHSA-N 435.638 2.225 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2snnc2C)CC1 1760260650 APPLWXIWQRTSMU-UHFFFAOYSA-N 437.573 2.437 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1760263364 YMGZRJFKDLFXSI-NBGIEHNGSA-N 437.588 2.378 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(=O)NC 1760317650 INPAPXVMVPJQLW-LPHOPBHVSA-N 428.493 2.407 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCSCC2)CCOC1 1761284092 UATCQUIVCFZSJA-QFIPXVFZSA-N 448.637 2.498 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1761285826 OSLKSSAIEJRTDD-WWPVKYPJSA-N 446.596 2.169 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1 1768939316 BTIZQICRWSIETM-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1769372554 ZQZDDQVRXZBQLA-QHCPKHFHSA-N 439.516 2.317 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1769419132 FFFHUTXGULVHPA-UHFFFAOYSA-N 436.516 2.265 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1772659864 JFHHMMAPYHRDRH-QGZVFWFLSA-N 449.964 2.010 30 10 IEEE N#Cc1cccnc1N1CCN(CCNC(=O)[C@@H]2Cc3c(ccc4ccccc34)O2)CC1 1851345816 PTIGZVMEJHHOLV-QHCPKHFHSA-N 427.508 2.348 30 10 IEEE COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)cc1 1851470944 YFTUJRXONVBMRO-UHFFFAOYSA-N 442.493 2.303 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)NCCCn2ncccc2=O)N2Cc3ccccc3C2=O)cc1 1851874872 BZFMOAAPMQLZAZ-JOCHJYFZSA-N 441.491 2.409 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)nc1C 1852843131 RRKVHGBGUNXVLC-UHFFFAOYSA-N 447.495 2.045 30 10 IEEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)[C@H]1C 1854790620 YSFMPKYTYBTCGQ-GOSISDBHSA-N 433.574 2.356 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)c1 1862626831 GOHCHGRHMULGFX-HXUWFJFHSA-N 438.436 2.138 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(CCC)nn2C 1864320439 RZWOLZJGCBECGA-KDOFPFPSSA-N 426.517 2.129 30 10 IEEE CCCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868795307 JZQKRLHWSGBTLI-RTBURBONSA-N 447.605 2.034 30 10 IEEE Cc1ccc(O[C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1C 1889421468 JIGQLQPBTGMNFO-JOCHJYFZSA-N 427.589 2.329 30 10 IEEE O=C(COc1c(F)c(F)c(F)c(F)c1F)NCCn1nc(C(F)(F)F)ccc1=O 1890596416 ZQHSAXGDGQEOCT-UHFFFAOYSA-N 431.239 2.153 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 1891200552 XDYTYSGLTMGMHV-UHFFFAOYSA-N 434.924 2.120 30 10 IEEE CC(C)(C)NC(=O)N[C@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)C(C)(C)C 1891382799 JWCWNCILWCNVIG-QGZVFWFLSA-N 430.553 2.478 30 10 IEEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891415270 AFGZEPAOUKBCKN-UHFFFAOYSA-N 445.479 2.439 30 10 IEEE C=C(Br)CS(=O)(=O)NC12CC(CNC(=O)OC(C)(C)C)(C1)O[C@H]2C 2006228349 ODQLCEXGVBKEDB-QGLTVNCISA-N 425.345 2.029 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010525232 GMYULBYSVCMNAQ-VAMGGRTRSA-N 428.533 2.153 30 10 IEEE CN(C(=O)C1(NC(=O)OC(C)(C)C)COC1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060637210 IKRBVRDSFBXVDG-UHFFFAOYSA-N 432.326 2.242 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C[C@H](O)C1 2073756845 MEUWWAGJAPPATQ-YKTUVVHCSA-N 436.358 2.489 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)C1 2243172339 HKCZPGOXAIRDGR-UHFFFAOYSA-N 427.542 2.336 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255627190 PGAVLQWNBRAMEO-INIZCTEOSA-N 427.354 2.441 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 2255816991 OAJMJVMAUIRIJH-UHFFFAOYSA-N 431.342 2.382 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255835308 UUSXJXXIJQPEDQ-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2259346671 XHPVKRCGERYHMX-GOEBONIOSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CC2)C1 2266051920 NXDKMUHVZZKWSD-UHFFFAOYSA-N 444.385 2.122 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509974 DNBDRTFNTBNXAE-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267513282 MSZIRCOVQDZXQV-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE C=CCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267550301 XRRTWSIFCGPBPI-UHFFFAOYSA-N 444.341 2.071 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@H]21 2267832493 HHVKLPYTTHMQRC-RTBURBONSA-N 445.369 2.393 30 10 IEEE C[C@@H]1COC[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N1C(=O)OC(C)(C)C 2268646923 LREKSUKDORTTBT-GDBMZVCRSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCOC1 2268715985 BSONODWSLXDJAY-QFIPXVFZSA-N 447.341 2.393 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304805070 NTMIYHBTLNXXJU-ZDUSSCGKSA-N 426.294 2.438 30 10 IEEE CCCn1c(N2CCOCC2)c(C=C2SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 2314463272 ZZUXKYJMTIWECF-UHFFFAOYSA-N 432.571 2.496 30 10 IEEE CN(C)c1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1 2328471381 AJJJHIZHHHYODO-UHFFFAOYSA-N 439.501 2.303 30 10 IEEE CC1(C)CC(=O)C/C(=N/NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 9540661 OHEBXUKAILOYAC-QNGOZBTKSA-N 438.575 2.129 30 10 IEEE COc1c(F)cc(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1S(N)(=O)=O 477296148 KNHRFULSJUKBMM-UHFFFAOYSA-N 444.406 2.211 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1 479833089 WRWAPIMOFCMYJK-UHFFFAOYSA-N 439.537 2.349 30 10 IEEE CN1CCC(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)(N2CCCCC2)CC1 489373190 RIQMMEFRLAQRRB-FQEVSTJZSA-N 426.565 2.066 30 10 IEEE C=CCOc1ccccc1C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506860308 SZCYUYNSCZREPR-HXUWFJFHSA-N 437.544 2.247 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N(CC)CC)CC1 508467338 YAAFMRCFHMUCIL-UHFFFAOYSA-N 435.536 2.192 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 508486242 BIPAHAGHESIBGD-XLIONFOSSA-N 445.589 2.082 30 10 IEEE C=CCn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 508882087 USKFVVRUXYGPIR-DEOSSOPVSA-N 447.543 2.358 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1-c1ccccc1C 514654570 CEQRJCUINCRWMI-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)c1 522288937 CUYRQAFRZDGSEF-UHFFFAOYSA-N 430.530 2.007 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2ccnc(N(C)C)n2)CC1 532733903 MEMRUAIIRYWNOS-QGZVFWFLSA-N 425.512 2.139 30 10 IEEE N#Cc1c(Cl)cccc1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 542102574 IMIPOQLXMFPEHE-ZIAGYGMSSA-N 428.963 2.498 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)[C@H]1c1ccc(Cl)cc1 581702397 GRFSIOYXIUHEBO-GHTZIAJQSA-N 438.919 2.410 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 581972098 WAOXWRJBZSXZHI-SUMWQHHRSA-N 441.504 2.273 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 614999899 RPVVOWABHBRROW-KRWDZBQOSA-N 446.529 2.247 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 615012882 SKEZQRDQGTXOHI-AWEZNQCLSA-N 441.509 2.210 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1C 730710955 VULCYKIXLVWBRA-SFHVURJKSA-N 429.546 2.491 30 10 IEEE C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 734601224 PNSSYODHJDCWFN-OAHLLOKOSA-N 442.497 2.312 30 10 IEEE CN1C(=O)N(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C(=O)C12CCCCC2 743732968 YZPUUDPWUCQEEM-UHFFFAOYSA-N 439.516 2.055 30 10 IEEE COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C#N 747447048 SKTPFWVQLDVXLP-UHFFFAOYSA-N 443.403 2.060 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)N2CCN(c3nccc(OC)n3)CC2)cc1C#N 752309297 YSNCAACMHIECDL-UHFFFAOYSA-N 425.449 2.279 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)ccc2c1=O 753154585 PWGIWDKENGALHR-QGZVFWFLSA-N 435.509 2.192 30 10 IEEE C[C@]1(C(=O)NCC#CC(=O)O)COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757470110 AOWDMSAMASMCJQ-OFVILXPXSA-N 448.475 2.134 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC[C@@H]2COc3ccccc3O2)cn1 764877930 HQEWDGVYRICKJW-CRAIPNDOSA-N 443.529 2.201 30 10 IEEE C[C@H](CC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 772869565 DKAZPZVXAKTKEZ-QLVMHMETSA-N 427.526 2.398 30 10 IEEE COc1cc2c(cc1F)CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 777010958 FMPNOTFKUCJQHP-CYBMUJFWSA-N 431.489 2.236 30 10 IEEE COc1cc2c(cc1F)CC[C@@H]2NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 801182272 JTOKBAKCLCJFKC-PXAZEXFGSA-N 431.489 2.455 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 801798726 IUAWZFMYJIOUFN-UHFFFAOYSA-N 431.440 2.376 30 10 IEEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Br)cc1F 806780425 ABAXXUJFYHOXRN-GLTXTHCDSA-N 425.258 2.475 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)c1 918959984 GAINJZLLFIVTPI-UHFFFAOYSA-N 447.488 2.454 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1cccnc1 1084621798 AJNHKMMKBUPKIG-UHFFFAOYSA-N 443.405 2.193 30 10 IEEE CS(=O)(=O)NCCc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)s1 1132134514 OMXVWOHSBQFHHG-UHFFFAOYSA-N 433.555 2.147 30 10 IEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1134283711 VIGZECCHILKXKE-HXUWFJFHSA-N 436.512 2.075 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1135995037 VCWRHAGZURBXCY-IBGZPJMESA-N 443.548 2.356 30 10 IEEE N#Cc1cn(CC(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)c(=O)nc1O 1137693856 AIIDTABCJRTOBS-UHFFFAOYSA-N 434.843 2.129 30 10 IEEE N#Cc1cccc(ONC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 1151426441 YURGUJXNOUNQRS-UHFFFAOYSA-N 431.378 2.341 30 10 IEEE C#CCN(C(=O)Cn1c(=O)n(C)c2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1155359511 SNFJMPCGQBFZSJ-UHFFFAOYSA-N 426.517 2.201 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)OC 1155778894 BPZPQPOOWUTEPT-GOEBONIOSA-N 440.443 2.001 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2ncccn2)CC1 1156101629 FILWPGNXCHLDAC-GOSISDBHSA-N 441.557 2.336 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccnc3Cl)ns2)c1 1161533574 NJQGIODHMUCDEE-UHFFFAOYSA-N 433.902 2.417 30 10 IEEE C#CCOc1ccc(C(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)cc1 1165415539 WVEXFVPIGIALAA-GOSISDBHSA-N 426.513 2.493 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)CC1 1194177157 UKOQSPFVIQCTDV-LJQANCHMSA-N 433.597 2.154 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccc(F)c(F)c2)c2nccn2C)n1 1251505702 RPVHIOZPHXDKTC-HXUWFJFHSA-N 442.470 2.476 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1286359412 VJYSAVKTUSVLQJ-UHFFFAOYSA-N 430.394 2.046 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1286564158 MFRLYDKELZNOJA-XLIONFOSSA-N 430.578 2.284 30 10 IEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1286606715 YVSJVKNPQHPESG-HDICACEKSA-N 440.504 2.037 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1286727060 LQKVYUWUCLQJCR-QGZVFWFLSA-N 426.546 2.251 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286774896 OQIWFCWVGSMUKO-QGZVFWFLSA-N 445.568 2.135 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC#Cc2ccccc2)cc1 1290475993 RSXZOTKYHILCAY-IRLDBZIGSA-N 426.538 2.102 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1291806062 YWNLOAKLNAPQOR-WBAXXEDZSA-N 438.488 2.236 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1293031189 YYHJWETVDXHVHX-MOPGFXCFSA-N 435.532 2.159 30 10 IEEE CC(C)(C)n1nnc(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 1293136205 DIOLPWIRNFWWIM-INIZCTEOSA-N 446.353 2.142 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1299240463 AXOBYXWIYYJNII-GOSISDBHSA-N 437.548 2.084 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300302985 GVWDZBCJMBNJSJ-LTIDMASMSA-N 430.553 2.333 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300489782 SBPWZMYRMCNOAK-GOSISDBHSA-N 444.557 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCOCC1 1300512101 GQPLBZVBEMMOBX-UHFFFAOYSA-N 446.349 2.051 30 10 IEEE N#CCCn1cc(C(=O)N2CCC(N3CCOC3=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1301381775 GWLAKBCWTAMAFR-UHFFFAOYSA-N 438.444 2.429 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1302111211 IESHPADBQNRTCS-MRXNPFEDSA-N 432.475 2.449 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1303939275 BYMCCHAPMFNMPR-NQIIRXRSSA-N 428.562 2.219 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1304319537 DKJGCOGFONWAQZ-NVXWUHKLSA-N 437.562 2.384 30 10 IEEE C=CCN([C@H](C)COC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1309674198 COEPELXTTRMTEZ-LLVKDONJSA-N 426.354 2.064 30 10 IEEE C#C[C@@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1310075515 PAZIUDVBVBCMSJ-NRFANRHFSA-N 436.578 2.477 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(O)CCOCC1 1316273307 AHVRUCYDOMNMML-PMACEKPBSA-N 441.532 2.052 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCO[C@H]2CCOC2)c1 1316528497 FBWKZPJUTHIVIG-ICSRJNTNSA-N 438.532 2.104 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1358946305 PYFCEGUUWQCGEB-FUHWJXTLSA-N 430.578 2.369 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCCN1CCCO[C@@H](C)C1 1358954114 VHMZVTDNWJHXSV-IBGZPJMESA-N 427.549 2.436 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358963622 LEMUTOBNFQBUFG-CEXWTWQISA-N 435.638 2.224 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358968634 TUJFEBLXROCLJX-LJQANCHMSA-N 446.555 2.322 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1OC 1358999431 QXAVVQQQVYQMPO-UHFFFAOYSA-N 427.505 2.048 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(C)CN(C)C1=O 1359018931 GUEBSYAKJRUMRG-OPAMFIHVSA-N 429.496 2.122 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2CC(F)(F)C2)CC1 1359046006 AHPXFKLCGLYEGQ-UHFFFAOYSA-N 428.487 2.275 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1359216733 CJLJOZYRCBRGAG-IAGOWNOFSA-N 448.568 2.220 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2ccc(C)o2)nnc1[C@@]1(OCC)CCOC1 1359305892 PZSKDJLGEGTWGK-HTAPYJJXSA-N 429.521 2.475 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCSC(C)C 1360214745 BILXBQQOMBHADH-UHFFFAOYSA-N 429.550 2.093 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2cn(C)nc2I)c1OC 1435824429 GQSJTLXRTRYMHB-NSHDSACASA-N 426.214 2.037 30 10 IEEE C[C@H](C#N)CN(C)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1442032055 JVBKBHXCNYJWCF-GFCCVEGCSA-N 441.326 2.367 30 10 IEEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1449232148 WEYFLBZMMWOVBG-IAGOWNOFSA-N 433.553 2.135 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1461100507 RDVHVHSHNRKUPW-OAHLLOKOSA-N 435.299 2.214 30 10 IEEE N#CC[C@]1(O)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1469404728 HLQUJAXATIILMI-KSSFIOAISA-N 425.272 2.075 30 10 IEEE CC[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1471958281 LYFUDZCNIUOQIM-NVXWUHKLSA-N 428.489 2.247 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)cn1 1478506885 GCHHSXVIPGBMKT-NRFANRHFSA-N 432.528 2.019 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1502981587 AYGKXQHVQNUCMO-FQEVSTJZSA-N 438.532 2.260 30 10 IEEE CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1503580974 DSYZOMMRZFDBRI-GOSISDBHSA-N 440.529 2.280 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1505073735 OKOUOYHGKDGRFW-CNNODRBYSA-N 446.596 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1507511641 CMKGEDQKUBVRLQ-INIZCTEOSA-N 449.490 2.261 30 10 IEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507578579 ZOGVYLLRDISZSR-UHFFFAOYSA-N 437.504 2.317 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507640636 UUMMEDXBCITNIH-NHCUHLMSSA-N 442.585 2.115 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OC 1507654073 VJYRWIFCWNJLIL-QGZVFWFLSA-N 431.537 2.084 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SCC)C1 1507746209 MWHGXWSNDAYBKS-JKSUJKDBSA-N 445.680 2.367 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 1507747768 LDLJHPCFSMZAIL-QGZVFWFLSA-N 441.557 2.393 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1507924159 JJRGHMJELUAHIZ-AABGKKOBSA-N 425.533 2.093 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507936537 GCINWKDHJPPDTK-UHFFFAOYSA-N 438.536 2.229 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1noc2c1CCCC2 1508036309 MDVJPDQZWPEPAX-UHFFFAOYSA-N 437.504 2.479 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1508093580 CNXXXTARSSIPIU-CYFREDJKSA-N 439.560 2.140 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(F)(F)F)C1 1508116441 RTEFTBZGXZBUSM-QWHCGFSZSA-N 425.477 2.012 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1508143345 XYCXVBLEUVTTGK-UHFFFAOYSA-N 437.610 2.422 30 10 IEEE Cc1nnsc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCC(C)C 1510506370 BRZOZDPMFUZGIY-OAHLLOKOSA-N 437.595 2.155 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H]1c1nccn1C 1531075578 MWZFSKBEKDLEMG-VXKWHMMOSA-N 429.480 2.142 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1539238309 VLARZDFDIXAZOP-OYDLWJJNSA-N 442.560 2.120 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539526461 KJKRVGBUVOXMNO-FUHWJXTLSA-N 443.548 2.420 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1539539585 VXMVLBMRXWFIAU-FOIQADDNSA-N 448.618 2.436 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(C)=O)C1 1539612614 OKRQMSQMVXJKTG-JYJNAYRXSA-N 442.358 2.016 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C)CC1 1539615982 MWTOVNBHAMYTIS-MLHJIOFPSA-N 425.599 2.496 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1539888188 NAHIPIZTZVEHIC-GOSISDBHSA-N 431.562 2.163 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(CC)s2)C1 1540883014 RZUCNXWERJVVBA-HUUCEWRRSA-N 439.607 2.342 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1541567698 HHMVMOCMBGVEHQ-HXUWFJFHSA-N 443.596 2.001 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1541710346 KDTOIQWEPBIEFJ-ROUUACIJSA-N 428.562 2.379 30 10 IEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCc1ccc(OCC#N)cc1 1546322527 GPMDBXZPPDXXMS-LJQANCHMSA-N 432.521 2.261 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C 1547709844 AQIDYMUZUHCPIT-HKUYNNGSSA-N 442.589 2.172 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1587562387 ONLQDPNRDKYDPF-SOUVJXGZSA-N 439.969 2.467 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)C)C1 1587970327 TXAQWZWEJFHHSN-GOSISDBHSA-N 443.621 2.428 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](OC)C2CC2)CC1 1588762025 DSIRYYOXLFFGOT-QGZVFWFLSA-N 433.354 2.216 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)CC1 1593718301 SMCXOSUIIGETFW-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1593740715 DCRFARLTDPWSRY-HOTGVXAUSA-N 432.550 2.165 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1593757574 IUFRPHDVBIRJAT-DEOSSOPVSA-N 439.560 2.381 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594727530 REROQXMOUBOXDC-SFHVURJKSA-N 445.593 2.042 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1595550927 JPXFTKCXPSUTAT-UHFFFAOYSA-N 429.540 2.492 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 1597247231 ZYYXWZBMLNGJGQ-HNNXBMFYSA-N 432.926 2.427 30 10 IEEE C[C@@H]1CCCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)C1 1612803655 LVDOPZPWBVHPCB-GUDVDZBRSA-N 436.626 2.431 30 10 IEEE CCCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1614591350 CYVUPKAPOHCEOG-XUTLUUPISA-N 440.504 2.335 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1614978269 FZSIFZFAJJNWFY-UHFFFAOYSA-N 444.543 2.367 30 10 IEEE N#Cc1cn(CC(=O)NCCCCSc2ccccc2Br)c(=O)nc1O 1618047041 IWAZCGJNJULNAX-UHFFFAOYSA-N 437.319 2.272 30 10 IEEE COCCCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1619859611 JPTJORVHLFLEJE-FQEVSTJZSA-N 438.532 2.433 30 10 IEEE COc1ccc(C(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)c2ccccc12 1622396152 UKQWKSXSZIRYAJ-UHFFFAOYSA-N 448.523 2.285 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc21 1623730609 TVGYIJBYCHRRFY-UHFFFAOYSA-N 436.491 2.277 30 10 IEEE CON(C)C(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1624988949 RAZZZMSZIFHDEG-JQHMZKTJSA-N 434.537 2.032 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)N(C)C)ccc2OC)s1 1625227007 OLRKMTOESMEBPU-UHFFFAOYSA-N 437.543 2.104 30 10 IEEE C=C[C@H](C(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1627214339 FOFZWVPGGTWHLO-QFIPXVFZSA-N 427.570 2.387 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1629000571 FYLKLJDPNXJTIW-UHFFFAOYSA-N 439.306 2.008 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 1630039133 NLFIQXYIKBVIOR-UHFFFAOYSA-N 428.510 2.121 30 10 IEEE CC(C)(C)NC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1634407248 DORQELGUXROTLP-HNNXBMFYSA-N 431.924 2.217 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c1 1638455071 RVAYTCFRSZMJFZ-UHFFFAOYSA-N 436.436 2.479 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC(=O)c3cc(F)cc(F)c3)C2=O)cc1 1639226130 PCYDWHOYCUGIAC-QGZVFWFLSA-N 426.379 2.041 30 10 IEEE Cc1nn(CCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(C)c1[N+](=O)[O-] 1639989222 DBUCUWNYCINCKN-UHFFFAOYSA-N 448.487 2.409 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1 1640341673 FLKRMLAINTVALG-QFIPXVFZSA-N 447.557 2.214 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H](CCCC#N)c3ccccc3)c(CCO)c2=O)n1 1641517221 DLZZISQGWNPLMC-LJQANCHMSA-N 434.500 2.272 30 10 IEEE Cc1csc([C@@H](C#N)C(=O)CN2C(=O)c3cccc(Br)c3S2(=O)=O)n1 1656933888 NKOCGRRTLQMTLQ-JTQLQIEISA-N 440.300 2.235 30 10 IEEE Cc1nn(C)c(N2CCN(C[C@@H]3C[C@@]4(CCN(C(=O)OC(C)(C)C)C4)CO3)CC2)c1C#N 1658292389 MKSFXZXUQPKBSY-FDDCHVKYSA-N 444.580 2.138 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(N2CCOCC2)cc1 1659568216 ZNSVXSMZLNQOIE-OAQYLSRUSA-N 439.585 2.430 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)cc1 1659989121 XVDKXCPESHSIFF-UHFFFAOYSA-N 447.601 2.224 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC2(CCOCC2)C1 1687576817 RFBCBEXQGMBNPZ-HKUYNNGSSA-N 447.580 2.174 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCC1 1687591167 RAZVHHJRHBZSAU-UHFFFAOYSA-N 447.605 2.421 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1689862823 HEHNDOANAWXKFA-APWZRJJASA-N 427.530 2.154 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1689892195 AGOGTZMCJFRURL-SFHVURJKSA-N 442.589 2.007 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CCOC)C(=O)C1 1689916710 SNJFWUOGZBKANQ-UHFFFAOYSA-N 433.459 2.255 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689986342 NPKAOZLUTQSHFR-IBGZPJMESA-N 428.558 2.307 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988854 XLHGRNCKGDSIPK-PXNSSMCTSA-N 427.574 2.307 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCOC)CC1 1690237327 XRUYFGLJHXVQRM-MJGOQNOKSA-N 435.569 2.029 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CCC)C1 1690665443 DKGHODLDSUNOGH-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1C(C)(C)C 1690731412 KBJKMBFCDKNSCG-UHFFFAOYSA-N 441.598 2.234 30 10 IEEE CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccnc1 1691579185 AUOGALFBEYBZHW-RBUKOAKNSA-N 446.515 2.489 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1CCCO 1692661773 NHPKNLSKFQXAKJ-QFBILLFUSA-N 427.509 2.438 30 10 IEEE Cc1nnc(CCn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)s1 1693446214 GLRLLVUHMIGSDV-UHFFFAOYSA-N 437.577 2.473 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1695046156 CDWVYXBSNVNEFQ-VGOFRKELSA-N 429.569 2.197 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)C[C@H]1OC 1698291425 ATMOJMUHKQKARP-OYRHEFFESA-N 434.500 2.331 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1698484652 ULXNEFNXSKINNE-OXQOHEQNSA-N 435.454 2.138 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CC2(CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 1705561640 VJPZYPWWCVKRQA-GOSISDBHSA-N 434.606 2.409 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1705570025 JSZNDJSKAGNIQI-OALUTQOASA-N 448.564 2.450 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1 1705598418 JIQCCFMWEBIAGA-LJQANCHMSA-N 426.542 2.031 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC=CO1 1705626898 MYJICTXBFCUMPR-KRWDZBQOSA-N 444.561 2.017 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCn2ccnc2C)CC1 1705637002 GAMVWRJXRRHAIY-UHFFFAOYSA-N 449.559 2.313 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1705704846 ZVAPHBHXNIRTNE-APWZRJJASA-N 434.562 2.416 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1705717657 OXRZOOZCYKOGAP-QGZVFWFLSA-N 439.582 2.061 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1705750111 RWKUIVUKVDTJRA-OAHLLOKOSA-N 425.942 2.173 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705821513 ZOIVLZIOLFEWNF-MRXNPFEDSA-N 441.565 2.132 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705905532 YMCRQWFWFVYJSI-UHFFFAOYSA-N 437.592 2.267 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCCCC2)C1 1705916221 ZWHVWFIYKMOUJU-VQTJNVASSA-N 430.597 2.417 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712263830 GSVIDERHONVIBT-APFMSCDFSA-N 440.479 2.083 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1722494421 MHQKCRJSEBXPQZ-GUYCJALGSA-N 449.353 2.343 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[S@@](=O)CC 1722656841 KCUODFBJTCHOCM-JJCDCTGGSA-N 426.546 2.062 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H]1CCO[C@H](C)C1 1727602313 ARNZVEVPDWQVEB-SJLPKXTDSA-N 426.569 2.286 30 10 IEEE CCN(CC)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1728381479 HGHDUVNANUOLJD-MOPGFXCFSA-N 425.537 2.190 30 10 IEEE CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N)C1CC1 1728501704 GRPXDRIKRFAARU-INIZCTEOSA-N 430.578 2.429 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC)c(O)c1 1730945375 DWHUCLGJEJBYOI-UQASEVPWSA-N 431.468 2.207 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1731090709 DCEFZDLMNQOBIA-IBGZPJMESA-N 440.573 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1cc(CO)nn1 1740535052 NBIHXTFYSUOVDA-HZPDHXFCSA-N 427.484 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1740536269 CDAZOKWALVXEOB-SJORKVTESA-N 443.548 2.150 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Cl)cn1 1740546364 HJJNZKHBHUCMJW-CQSZACIVSA-N 446.968 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740644938 ZPWGSHVBUPZWCV-HXUWFJFHSA-N 444.539 2.030 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(OC)C1CC1 1740683777 FIYOKASJWKTXOQ-QHCPKHFHSA-N 436.516 2.495 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)C(=O)NC 1740757358 VIBJUQWJDZQNIH-KNBMTAEXSA-N 441.532 2.473 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1740890998 OFNWFANROLKNAV-LBPRGKRZSA-N 433.456 2.457 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1740970129 FHOSBNDWDNYBNM-KRWDZBQOSA-N 433.578 2.313 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)C1 1740994062 IHQIHMFLOMZVRE-OAHLLOKOSA-N 437.591 2.107 30 10 IEEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1741114780 BBOVUUVOHIWOKG-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1741803125 NSUHRPNGPIHNEO-CRAIPNDOSA-N 429.546 2.292 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1743395157 MLHRFXXKUUAUGG-BAEHRGANSA-N 427.534 2.130 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc(C#N)o1 1743736556 HQQADPXOSLFLTR-QGZVFWFLSA-N 427.553 2.295 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1743903177 LQXFFMKEQCLGOH-NDXORKPFSA-N 436.532 2.065 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748643555 WXGYDIHFACDMSX-MXBUBSDBSA-N 433.597 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1748665793 UWYMSROXCQBMQO-MRXNPFEDSA-N 435.532 2.001 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1748716246 WLLNOBDCCYNJSK-HXUWFJFHSA-N 430.597 2.314 30 10 IEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1748727936 ZXICXLXJCJAYMS-UHFFFAOYSA-N 429.496 2.095 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1748756729 TWAUQWDWIJTVAP-UHFFFAOYSA-N 436.545 2.384 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1748801845 HVSHNYVMBLFQDT-QGZVFWFLSA-N 444.557 2.022 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2=CCCOC2)CC1 1748971230 IQUUBSKXBGHFMT-UHFFFAOYSA-N 434.544 2.249 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749356418 PKDRQRVPDYKGDM-SFHVURJKSA-N 428.512 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(CC)C1 1749725457 VEPVAWMLPVRJBD-NRFANRHFSA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)C 1749725723 XHUBAZMBPMDRFY-UHFFFAOYSA-N 439.969 2.160 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C1CC1 1749732340 WAOJAENIRFVHEE-GOSISDBHSA-N 447.536 2.138 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2ccc(OCC)cc2C1 1749735493 UYSQNPWVFJGRLC-SFHVURJKSA-N 446.573 2.344 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1750052981 KQPUBNDKYLVFCS-IBGZPJMESA-N 439.520 2.285 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1750451345 GGUAFOLHMDVXLP-OALUTQOASA-N 438.532 2.470 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750862638 YMZLTIAZKLDPCE-UAFUQJIBSA-N 428.537 2.008 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1751092706 ADJSCVAYWQBUGY-IBGZPJMESA-N 448.579 2.024 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1751851691 YROOGRRFTQRTHQ-MRCUWXFGSA-N 438.536 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCCOC 1760115076 YMPDERDLDWDVBC-PKOBYXMFSA-N 425.533 2.459 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1760154960 MOUDFRGPBFNIQN-RTWAWAEBSA-N 441.601 2.304 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760155828 KZXJGARWEIBTJE-UHFFFAOYSA-N 429.528 2.103 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1760171314 ADACIGAXXJSPMN-BEIWTESXSA-N 435.594 2.373 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1760201790 JMIVVTLFFVHGBP-SFHVURJKSA-N 433.512 2.051 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760216796 BLEIUBNGFNVZNY-UHFFFAOYSA-N 436.541 2.035 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 1760243128 VNLSLUQMZBOECY-SFHVURJKSA-N 431.924 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1760268722 WGYSPOWLLWHAIQ-QGZVFWFLSA-N 432.528 2.341 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nccs2)C1 1760287471 SYVHVSDFZCFKHY-BBWFWOEESA-N 449.602 2.403 30 10 IEEE C=C(Cl)Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1760386683 GKBBCOGYEGKRHG-HXUWFJFHSA-N 425.961 2.424 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1760504044 UKGYQVWRPAXYAP-HXUWFJFHSA-N 439.564 2.180 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2COCCO2)C1 1760536589 CPHYOAJSSIPGFT-QZTJIDSGSA-N 430.505 2.159 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1763580408 BYOUAKCNASVKOI-SFHVURJKSA-N 426.521 2.212 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1767423330 CEJUPLAPVYYIDV-QFIPXVFZSA-N 442.495 2.448 30 10 IEEE CN(C)CCOCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1768518047 GNVDGXFXQYBITH-OAHLLOKOSA-N 449.353 2.015 30 10 IEEE CSc1cccc(F)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1771425851 GZEFZGHTPONPET-OLZOCXBDSA-N 440.570 2.393 30 10 IEEE N#CC1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1771535659 UYIKDWYJTUQABE-IBGZPJMESA-N 445.518 2.360 30 10 IEEE CCc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1851585488 JANYRNXJZIQKLH-NRFANRHFSA-N 447.539 2.234 30 10 IEEE C=CCN1CC[C@@H](N2CCN(C(=O)CSCc3nc4ccccc4s3)C(=O)C2)C1 1853742195 VBWAVDRLHVEEGM-MRXNPFEDSA-N 430.599 2.461 30 10 IEEE Cc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855739286 RVGMMXUDJHSCIT-QGZVFWFLSA-N 425.510 2.248 30 10 IEEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN([C@@H](C)CCC#N)[C@H](C)C2=O)cc1 1856281506 BFAHHPPDUAYSAI-DLBZAZTESA-N 435.546 2.001 30 10 IEEE N#Cc1cccc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4CCCS4)C3)CC2)n1 1857116565 JXADQDKBIIBVRK-IEBWSBKVSA-N 428.558 2.315 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1 1858066967 WXKLMIVIBSSWOO-FQEVSTJZSA-N 427.507 2.447 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(=O)O)cc1 1862629187 PYMHOEXSVJAARZ-LJQANCHMSA-N 438.436 2.253 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759329 OPYYLPMMNAFSCN-KRWDZBQOSA-N 443.368 2.433 30 10 IEEE COc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C#N)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867794148 GUJVXTPQHLZTAU-XJKSGUPXSA-N 426.429 2.420 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868796598 WFXCYUHLNOCUJS-NEWSRXKRSA-N 432.590 2.150 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1OCC 1870151164 NWYYGPFEQOKPLH-AWEZNQCLSA-N 426.477 2.132 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562023 JWKRVXUUDYMRDD-CALCHBBNSA-N 426.565 2.397 30 10 IEEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873672673 PDAKPRUWTOYAEE-UHFFFAOYSA-N 449.471 2.480 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-n4cccc4)ccn3)CC2)CC1 1890123449 UVZRLAFGVQTNKJ-UHFFFAOYSA-N 435.572 2.134 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)ccc21 1891827800 GOBJRXRKKNELPW-UHFFFAOYSA-N 440.525 2.484 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1909079213 OYNDVAANCCWGNC-QLFBSQMISA-N 441.525 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)c2cc(Br)cnc2C#N)CC1 2174716062 PMINXYUSPRWMLX-UHFFFAOYSA-N 438.326 2.407 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2216856227 DZOSSQIPTQIPRH-ALYAQQCSSA-N 439.553 2.046 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1cc(Br)c(C#N)cc1F 2225624413 ATYSFRDLDLGBQG-SOUVJXGZSA-N 430.274 2.213 30 10 IEEE CN(CCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243422709 KNNFAGJYBICSSD-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247833542 HZXILEWSDJCJTC-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608997 DDIYJIRURQHBNV-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627744 XZJMRQHPWAUIRE-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255649684 LJEYFXRXAJYHOF-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2256040327 VSENCQJPQOJZTM-MSOLQXFVSA-N 433.358 2.350 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 2267181659 VMKLMHFAOMNIPC-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267226682 VTOGGBNGGCGTEJ-ROUUACIJSA-N 434.349 2.026 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2267245604 BKAZYAOZZHPTTK-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267272834 DPAKQOGJWVCTTD-WFASDCNBSA-N 441.259 2.052 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267525016 YKQVHJBCROVURJ-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267549919 RSUXVWQKCXUIET-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267844406 KZBGGNXTERJACX-JOCHJYFZSA-N 447.341 2.126 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873747 RPDHHRHQGHTTRP-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)NC)CC1 2297650413 MMTLMUOQLYQRMQ-IAGOWNOFSA-N 437.466 2.427 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2326103120 JYWZLJIQBNLYDR-VKDGWMQASA-N 440.544 2.407 30 10 IEEE Cc1cc(CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649585 JUNVCGQBWYDSAV-QGZVFWFLSA-N 448.369 2.044 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1CC2=NO 2381951780 LIJULQCZONNJGJ-VCBZYWHSSA-N 433.530 2.391 30 10 IEEE C=CCN1C(=O)[C@]2(C(C(=O)OCC)=C1CC(=O)OCC)c1ccccc1-c1oc(N)nc12 20167510 RTBJXHJLBRUSTG-QHCPKHFHSA-N 437.452 2.322 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)c2C)nn1 23571675 GAVNXIURZPKSMH-OAHLLOKOSA-N 426.477 2.257 30 10 IEEE C[C@@H]1CCc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 28961612 UPFKYAUCBFAZQJ-GOSISDBHSA-N 438.553 2.232 30 10 IEEE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N\N=C3/NC(=O)[C@@H](CC(=O)O)S3)cc2)cc1 33430607 LGDWOCJCCPBIOK-IWEBCOIVSA-N 447.494 2.159 30 10 IEEE C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35991780 BGYRZLAQHZFFPE-OAQYLSRUSA-N 444.507 2.059 30 10 IEEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1coc3ccccc3c1=O)CC2 72157091 WKTFJWWPEYGTFY-GOSISDBHSA-N 426.469 2.267 30 10 IEEE COc1cccc2c1CCN(C(=O)C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)CC2 427631678 RVVGMRJHRKYYCN-UHFFFAOYSA-N 449.898 2.972 30 10 IEEE CCOC(=O)c1ccn(-c2ccccc2NC(=O)N(CCC#N)CCN2CCOCC2)n1 428902931 UDBKGUJMIFTVIJ-UHFFFAOYSA-N 440.504 2.129 30 10 IEEE Cc1csc(Cn2c(=CC(=O)C3CC3)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)n1 447414789 UDEFOCBOVMIEKM-UHFFFAOYSA-N 443.500 2.461 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](NC(=O)NCc1ccc(F)cc1)C(C)C 461735290 HAATUTQCBABCTG-HXUWFJFHSA-N 449.490 3.049 30 10 IEEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)ccn1 474221358 YIUKXBMNXQTWNJ-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(S(C)(=O)=O)cc1 487053547 BALWIRDCGCOPTQ-YWZLYKJASA-N 440.525 2.123 30 10 IEEE C=CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 489019510 RDMWSQRJSLGKCM-UHFFFAOYSA-N 426.482 2.308 30 10 IEEE N#C[C@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(Br)cc1 499407524 LSNPERSWOHHBKK-INIZCTEOSA-N 427.258 2.496 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 504468348 FBIARVQMPGVUJJ-UHFFFAOYSA-N 437.468 2.117 30 10 IEEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 508800254 FBSWYMOVHKNQQQ-UHFFFAOYSA-N 442.520 2.395 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 520461635 OBLABSLBYKMLDE-PBHICJAKSA-N 435.550 2.433 30 10 IEEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 555285733 MUYXXSMTHSJQTQ-GOSISDBHSA-N 449.577 2.362 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 558315361 DUZBYVXPVVUGOR-LJQANCHMSA-N 434.562 2.389 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCCNC(=O)c2ccccc2)cc1Br 558345410 VWVBWZDYVMLBSO-UHFFFAOYSA-N 426.267 2.168 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 559003358 BWEJRGWADDFIQI-UHFFFAOYSA-N 434.522 2.338 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1Cl 573906604 GVVGFOAPJTTXEY-JTQLQIEISA-N 428.757 2.466 30 10 IEEE Cc1nc(=NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n(-c2ccc(C#N)cc2)[nH]1 610233272 XLRXIAMPSYRLCM-IBGZPJMESA-N 446.486 2.428 30 10 IEEE COC(=O)c1nn(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C)c1Br 733993731 BRNVRCVWNAFYSB-INIZCTEOSA-N 432.322 2.408 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)cc1F 765547712 NKPWIDPULQVWEO-KRWDZBQOSA-N 431.493 2.368 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCCNc1ncccc1C#N 767322944 QUOGCNZKEVKIST-UHFFFAOYSA-N 437.319 2.270 30 10 IEEE CC#CCCCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 768114728 ILXQUISWEQXKCD-UHFFFAOYSA-N 438.521 2.176 30 10 IEEE COc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2)c(NS(=O)(=O)C(F)F)c1 769634915 XLPKKVIBKWNLKB-UHFFFAOYSA-N 431.442 2.010 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3cc(Br)cnc23)[C@@H](C#N)C1 769957887 PJHWNDMRIFUWGG-LBPRGKRZSA-N 435.282 2.077 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 788695077 CKDLNAXXIQESOR-UHFFFAOYSA-N 426.420 2.244 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3cccc4ncccc34)c2C)n1 788815606 QZFWLCJGDLNYCI-UHFFFAOYSA-N 429.484 2.242 30 10 IEEE C#CCn1ccc(CN(CCOC)Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)n1 789322781 BTEZENARADWZPY-UHFFFAOYSA-N 428.493 2.408 30 10 IEEE C=CC[C@]1(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 790104855 WWVWRNIZQOSWEM-OAQYLSRUSA-N 437.562 2.339 30 10 IEEE C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 791205975 YSKWXYHLTIBMPU-ZDUSSCGKSA-N 429.336 2.002 30 10 IEEE CCn1c(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)nc2cc(Br)ccc21 791957785 ISXGZICMWFMYBG-VHEBQXMUSA-N 446.305 2.351 30 10 IEEE C#CCN(c1nnc(CC23CC4CC(CC(C4)C2)C3)n1CCOC)[C@H]1CCS(=O)(=O)C1 812121104 PIQLFSPGKCTJBG-QSVDNLTKSA-N 446.617 2.310 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1CC(F)(F)F 813095558 WNIFORBCFOVRIR-NSHDSACASA-N 429.342 2.409 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 916775545 WDJBTDKTVCPMDK-UHFFFAOYSA-N 449.444 2.207 30 10 IEEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cc(Cl)cc(Cl)c3O)n2)CC1 1083985385 MBDUXKZEPVELHD-UHFFFAOYSA-N 444.348 2.129 30 10 IEEE CCCC(C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)n[nH]1 1084118300 BYPMULSPZKYPAS-UHFFFAOYSA-N 449.585 2.336 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)N[C@H](C)c3ccccc3)n[nH]2)cn1 1084424434 PRBGISJIUVPLFR-CQSZACIVSA-N 428.522 2.063 30 10 IEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c1C 1084555760 WKIRHJZBDFZWAP-UHFFFAOYSA-N 443.512 2.307 30 10 IEEE N#Cc1cc(F)c(OC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c(Br)c1 1131598343 XAICLSCNHSPLKQ-HNNXBMFYSA-N 431.221 2.485 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCc4c(CC(N)=O)cccc4C3)CC2=O)cc1Cl 1132346969 VGZHMOPMRSGJHI-QGZVFWFLSA-N 436.899 2.177 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 1143720421 SJICCGTYNQPLTH-AWEZNQCLSA-N 436.896 2.349 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 1152967854 SGBKOTNKYJXYFM-UHFFFAOYSA-N 429.542 2.470 30 10 IEEE C=CCn1c(SCC(=O)N2CC[C@](O)(C(=O)OC)C2)nnc1-c1ccc(Cl)cc1 1153269686 MBELGJZSFKESKG-LJQANCHMSA-N 436.921 2.013 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCCC3(O)CCN(Cc4ccccc4)CC3)CC2)nc1 1254723148 GHZKLEBUXJWRHN-UHFFFAOYSA-N 448.571 2.202 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCC1 1286286547 ZBIKYKBPCVHFJP-QGZVFWFLSA-N 429.594 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286300281 QQFFXVQQPJJNAQ-CVDCTZTESA-N 430.556 2.337 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccco1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286384253 GZUUREFDUJUHSB-RBUKOAKNSA-N 431.562 2.033 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1286387006 MDTUHVUCMJRHCS-DLBZAZTESA-N 431.587 2.253 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCOc3ccccc32)CC1 1286470452 ZBEHGUQBADUDDI-IBGZPJMESA-N 436.560 2.128 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286545829 CAHGAWYORAVHCH-ZWOKBUDYSA-N 427.553 2.360 30 10 IEEE C=C(Br)Cn1c(N2CCN(c3cncc4ncnn34)CC2)nnc1C(C)(C)C 1286546788 AKIOLELMNLLHTK-UHFFFAOYSA-N 446.357 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286549686 YMHQGVDGRHVNGX-HKUYNNGSSA-N 439.564 2.203 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1286581786 NKOMOSPKLIRJAL-AWEZNQCLSA-N 439.504 2.356 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286699858 HZWPZPVFJKSAOK-MRXNPFEDSA-N 447.536 2.139 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1286727493 RKGLEMMKTKORFC-PKOBYXMFSA-N 433.578 2.345 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1286755699 AOPZJEAVPQSRBC-UHFFFAOYSA-N 435.532 2.285 30 10 IEEE CC(C)CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1287851939 JQIJDDOQGKJCQN-MAUKXSAKSA-N 429.587 2.401 30 10 IEEE C[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1291246731 SXVZUKYMOPNOAL-ZJYNUGOYSA-N 428.537 2.466 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)c1cc[nH]n1 1292425921 PZIGBGKCVYYQPZ-QGZVFWFLSA-N 432.452 2.040 30 10 IEEE C[C@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)n1cc(Br)cn1 1296166157 GAMYOHBNAFFIMM-BZPMIXESSA-N 426.315 2.472 30 10 IEEE CO[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOC1 1299810024 JUEWQGAOUHJEFR-JOCHJYFZSA-N 426.521 2.207 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H](C#N)CCc1ccccc1 1299863415 JFXBDOKBZIQYDE-QGZVFWFLSA-N 430.486 2.104 30 10 IEEE CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)CC(=O)O[C@@H]1CCOC1 1300012616 ADKYUUOTQNPXQT-IRFCIJBXSA-N 441.528 2.412 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1ncc(Cl)cc1Cl 1300532557 XPMHYZWFHLIDCP-HNNXBMFYSA-N 432.315 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCC1(O)CCOCC1 1300595895 SPSRZKGVQYESSD-UHFFFAOYSA-N 438.528 2.260 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)s1 1300655463 YRNNTSOFXLVACB-UHFFFAOYSA-N 434.529 2.425 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(OC)CCCC2)CC1 1300707775 JHMDHDSFCANXSH-UHFFFAOYSA-N 434.544 2.443 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 1300740885 GRDASVVBYONPJD-LBPRGKRZSA-N 437.367 2.104 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300877659 XMJQGLKDDPBGMX-KVSKMBFKSA-N 449.577 2.298 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300890955 WPAHBWLMGITXJV-SBHAEUEKSA-N 445.589 2.259 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301084598 WLSLECNWVRWMHJ-GSEOLPGOSA-N 429.496 2.432 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301207427 WDDFCYLCFLKKBJ-LJQANCHMSA-N 440.573 2.491 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301259758 NQTMVMOBJCYWJI-XLIONFOSSA-N 446.621 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1301484344 FSAXGPXDEUAGGC-CVEARBPZSA-N 431.562 2.133 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1301506997 SSGSYERBDKSIQO-UHFFFAOYSA-N 448.527 2.146 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCO[C@H]1C 1301773633 GHONFBPHXZDFLM-SBUREZEXSA-N 436.516 2.338 30 10 IEEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccccc1 1309619749 ZPZFKSQHFZMODU-LEWJYISDSA-N 428.510 2.318 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)cc1 1310196843 WICHZKVOXLGBQE-KRWDZBQOSA-N 434.562 2.294 30 10 IEEE COCCN(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1316067484 DMQYYQPIHNDUMO-APWZRJJASA-N 448.955 2.378 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc4c(c3)CCC4)c2=O)cn1 1318789584 FOPOKOBUQCSVML-UHFFFAOYSA-N 444.560 2.476 30 10 IEEE Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1355061661 RJSKWPPFQAZCGB-XLNRJJMWSA-N 448.505 2.331 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1358931413 ZTOUIBQNQMTLKP-HXUWFJFHSA-N 438.507 2.188 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1359013726 JTWBNXJFZQKRSJ-KRWDZBQOSA-N 432.546 2.150 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)C(=O)NCC 1359015377 RJSZNJWPVCZFFW-UHFFFAOYSA-N 442.539 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCC)CC1 1359043125 HYLBAFVOSNQWIL-DEOSSOPVSA-N 434.544 2.334 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359203790 VZGIVLVSCHUKJE-QZTJIDSGSA-N 438.594 2.311 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1359226464 GGZHBBQOZGKYKG-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)N(C)C)C1 1359319983 JXQNVCQSZNWAFB-UYAOXDASSA-N 440.596 2.184 30 10 IEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1359488693 JBBILNXNBMDTID-RTBURBONSA-N 449.559 2.226 30 10 IEEE Cc1cc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)c1 1361010596 CBVZPMHCJYPGSC-OXJNMPFZSA-N 434.541 2.304 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1ccc(Br)cc1)c1cc[nH]n1 1441503638 YVUKBMODUDRJGV-LBPRGKRZSA-N 437.294 2.203 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(Br)c(C)ccc3[nH]2)CC1 1443361530 XDUPDFNQIQHQEE-UHFFFAOYSA-N 431.334 2.136 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)cc1 1461431452 KMGUYBRMLBXRPS-INIZCTEOSA-N 433.452 2.498 30 10 IEEE C#CCOc1cccc(Cl)c1CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1462116457 KRLCCCKOSVJYRD-UHFFFAOYSA-N 439.887 2.303 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1 1465236996 HREUFGSCABVQGE-ZHACJKMWSA-N 440.521 2.122 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1466666439 DAPGTGFGHMDOEP-CVEARBPZSA-N 435.525 2.478 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1496374974 JHSSOKLGYFAVRX-LJQANCHMSA-N 430.578 2.499 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(F)(F)F 1503954241 IHEMOJOCZNTDRF-XJKSGUPXSA-N 436.438 2.451 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1507563575 HKZSHUDZXCVZJS-RBUKOAKNSA-N 435.594 2.207 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507607373 SRPYXIGTEWDHKG-UHFFFAOYSA-N 440.555 2.471 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507630083 ZJQWYLFLEBPUNY-SZMVWBNQSA-N 432.546 2.146 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507714047 HICBMYQZYQGIRM-OAQYLSRUSA-N 443.523 2.240 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1507753639 NDOCBORTZRIPKQ-FQEVSTJZSA-N 438.601 2.134 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1507800472 VRBVUVWITHAHMQ-QRVBRYPASA-N 433.553 2.432 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1507809038 SEHYSNAVSAIULK-FOIQADDNSA-N 431.924 2.428 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836552 PBERBAVGAXKFKX-XHSDSOJGSA-N 432.525 2.266 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1508005543 YABBOBPDDXCCEM-LJQANCHMSA-N 425.533 2.353 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)CC1 1508085471 URPILMFNLUDZLD-UHFFFAOYSA-N 435.507 2.032 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(COc2ccccc2)CC1 1508093866 WPRGUSHRKDYMCW-IBGZPJMESA-N 425.533 2.380 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1508342226 OMGFLGDEDDIRIL-UHFFFAOYSA-N 448.474 2.463 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCC3CCOCC3)CC2)c1C#N 1511663450 GQDNUMRMRLXKNO-UHFFFAOYSA-N 426.569 2.458 30 10 IEEE CCn1cnnc1Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1515799518 VDOQCNSNDSRKGU-SFTDATJTSA-N 428.541 2.108 30 10 IEEE COc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1518304869 BNAAWQRCEFXXOD-CZUORRHYSA-N 435.431 2.169 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C 1520732947 UUHSKVHJVNCCOE-LRAJWGHMSA-N 431.541 2.272 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 1526039499 XKEAYBFYDAOVKB-ROUUACIJSA-N 442.537 2.427 30 10 IEEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1531533536 DBCJPTAYGUPJHU-UHFFFAOYSA-N 431.378 2.125 30 10 IEEE COc1ccc([C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccco2)cc1 1536403588 HWTAODJAFBGECI-FQEVSTJZSA-N 425.466 2.233 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1537528022 LCKYSDDQEIYXTH-ZWKOTPCHSA-N 431.558 2.084 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)c1ccc(Cl)cc1 1539413768 NXHNLBQLXFFIBC-ROUUACIJSA-N 431.924 2.356 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1539434323 HXULQWWVMFCKLW-QRWLVFNGSA-N 447.381 2.342 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1540872569 SYRCXELOGCVQBN-AUUYWEPGSA-N 431.487 2.453 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540913836 VBTBJAZWAIKZOW-CABCVRRESA-N 435.550 2.165 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(N4CCCC4=O)CC3)C2)C1 1543164636 DCNBWPKGYWWPKC-WCCYLALTSA-N 430.549 2.387 30 10 IEEE CN(C)C(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(F)c1 1543324904 VMJCOESHBCJNIG-GOSISDBHSA-N 437.431 2.243 30 10 IEEE CCn1cccc(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)c1=O 1547625097 CTKIZKMQBBEMJX-HNNXBMFYSA-N 444.499 2.420 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1554296861 DTRKYVQTCMPAKU-LJQANCHMSA-N 439.545 2.117 30 10 IEEE CNC(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1554484771 CYGKHQKZVIHAQS-HZPDHXFCSA-N 433.557 2.125 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1555626938 VEWXJGLJVVQNLP-ICSRJNTNSA-N 434.585 2.099 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C1 1555710263 KFOTWTPSGIKBNA-IBGZPJMESA-N 435.532 2.396 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(-c2nc[nH]n2)cc1 1555727240 DLXIKIJUUQSXDB-MNEFBYGVSA-N 436.520 2.431 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)ccc21 1556219719 LRFAYNJIFQONQN-HUUCEWRRSA-N 443.447 2.431 30 10 IEEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1556401373 HEUSPZZXFXOFJL-UHFFFAOYSA-N 434.905 2.068 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OC 1558384052 SXEXMSNPADIKRJ-NVXWUHKLSA-N 425.551 2.073 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1561745047 HCUIRGMGDCASRM-QFBILLFUSA-N 428.576 2.121 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccccc3OCCOc3ccccc3)C[C@H]1CS(=O)(=O)C2 1585132688 SLSJLZWFIWDWSW-JTSKRJEESA-N 426.494 2.155 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCS(=O)(=O)C[C@@H]3c3ccccc3)CC2)o1 1585362814 WINGDOFSBHHMGM-HXUWFJFHSA-N 442.541 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1587568241 OXIZLJMVFGGBQU-HXOBKFHXSA-N 435.532 2.326 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1587974984 INHBYCQCJBXIOQ-QGZVFWFLSA-N 449.559 2.439 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1588002956 JRFXVVVJMBEFNF-UHFFFAOYSA-N 429.571 2.296 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1588228102 ATDDDPBXFYBPNY-NHCUHLMSSA-N 445.633 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)c1occc1C 1588251473 PNQDYDAAVTXUFR-UHFFFAOYSA-N 447.543 2.324 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCN2CC)CC1 1588857288 LSMGFSZASVLZSR-HXUWFJFHSA-N 427.622 2.263 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1593788601 AXQGRMJKSYVTAM-LJQANCHMSA-N 425.533 2.356 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1594963388 SEVQFJIHDWFEFG-ROUUACIJSA-N 445.589 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccccc1F 1595788609 DLILUSJMTDOYLK-RHSMWYFYSA-N 435.525 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1595831147 MCKQTMKWXNGSDI-LJQANCHMSA-N 448.593 2.331 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCCS2(=O)=O)c1 1596611136 HGYTTYFQLTYXQC-QMWCZEAPSA-N 441.575 2.185 30 10 IEEE CCOc1ccc(C#N)cc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1597432597 NRFZHIVDECDTHK-OAHLLOKOSA-N 437.518 2.320 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)c1 1612247673 AYQDTURIBNJPFJ-PBYQXAPXSA-N 431.562 2.442 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1615574873 ALSMUECNFUDZDD-LJQANCHMSA-N 436.520 2.403 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)N(C)[C@H]1C 1616142957 RUVOUOGARYZJOK-IHMCWECMSA-N 432.951 2.385 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c1 1617570017 CHTNMDBKHGUOCC-WZONZLPQSA-N 435.532 2.109 30 10 IEEE C[C@]1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1618436591 FRLYBVMXAFNAOD-OAQYLSRUSA-N 433.530 2.011 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1620353642 PVHSNLZOICKLSA-VXPUYCOJSA-N 437.529 2.197 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1626359190 BTJXQHOGSATQCQ-CVEARBPZSA-N 431.436 2.393 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1)C(C)C 1627131758 ZEBQDHISFMZSQM-GOSISDBHSA-N 442.622 2.338 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 1627454906 NDFAFBTZHXKFEZ-KRWDZBQOSA-N 438.347 2.250 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 1628132379 DIIRJGKPUBDRJF-JKSUJKDBSA-N 441.937 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)cn3ncnc23)[C@H](C#N)C1 1635213491 DQBFVAMLXPGPQX-GFCCVEGCSA-N 435.282 2.077 30 10 IEEE C#C[C@@H](CO)NC(=O)c1ccccc1NC(=O)c1ccccc1I 1636622985 NOFSOKDCNKYZCT-LBPRGKRZSA-N 434.233 2.267 30 10 IEEE CCOC(=O)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cnn(CCC#N)c1C 1637959689 ANLIBFLWWNJURU-KRWDZBQOSA-N 433.509 2.024 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2nc(-c3cccnc3Cl)ns2)c1 1641680670 TZRWZSVOFVIZED-UHFFFAOYSA-N 434.890 2.042 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)[C@H]2CCC[C@H]2C#N)c([N+](=O)[O-])c1 1643438226 LHENQDCCEOQVAS-HOCLYGCPSA-N 438.506 2.155 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 1656638531 YEDGXPDFRMKNCN-QZTJIDSGSA-N 442.459 2.415 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 1659644353 BIPVGDLWADCPLH-LBPRGKRZSA-N 431.404 2.152 30 10 IEEE N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)C1=O 1660647252 PMJLGRXGEDUWKI-HEHGZKQESA-N 433.477 2.167 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C1 1669578724 HVNHYLBYTQPVLG-SFHVURJKSA-N 434.562 2.068 30 10 IEEE CC(C)(CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1COCC12OCCO2 1670577132 DBGMTSOUCCGFKJ-ACBHZAAOSA-N 444.532 2.358 30 10 IEEE C=CCC1(O)CCN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CC1 1671206558 DFOCFEVXLCNSGR-UHFFFAOYSA-N 439.553 2.482 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1680777784 REYYLFPOVQGFHJ-RYRKJORJSA-N 441.347 2.159 30 10 IEEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1684990444 BAHVPQJCKWTEJA-UHFFFAOYSA-N 437.562 2.466 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1690096444 SZAFIRXXJGWOFJ-OAQYLSRUSA-N 444.543 2.305 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1690130677 LQXIXRKKTDRCCF-SFHVURJKSA-N 428.606 2.238 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cc1 1697407102 BWKFZSPQLPPAEZ-IBGZPJMESA-N 440.548 2.105 30 10 IEEE C[S@](=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCC1 1698321301 FCJCWNYJZKXLDT-KJEZJMDVSA-N 435.500 2.177 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705507665 BSYCBDLJWBFBJO-QHCPKHFHSA-N 448.531 2.214 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705567223 UVVICYYHAGWXDM-PMACEKPBSA-N 428.558 2.156 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705615545 YCOWQRLQZWOPBX-UHFFFAOYSA-N 426.521 2.017 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(-n3cncn3)c2)CC1 1705644683 ZCAODJKPJKSMRC-SFHVURJKSA-N 446.559 2.386 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705658547 SUVRHZJQYUJNAC-AWEZNQCLSA-N 427.500 2.118 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705809919 IBLLYZREKVBODT-UHFFFAOYSA-N 443.640 2.475 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1705832239 RARBNGGYVACFLC-UHFFFAOYSA-N 443.596 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705902721 MDSSBMYCOPKDDQ-VFNWGFHPSA-N 431.924 2.285 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1706079143 FODCXINGJVHBPA-INIZCTEOSA-N 442.545 2.292 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N1CCCCCC1 1709141930 KMOIZWVINHCQMZ-UHFFFAOYSA-N 436.564 2.226 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 1711415692 WEVOTVWODCIVJK-IYARVYRRSA-N 441.511 2.328 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CCO1 1712287196 DESVACGZEIJZGE-INIZCTEOSA-N 429.431 2.308 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1722290495 MADQMPRTFIIIPT-QGZVFWFLSA-N 428.968 2.144 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722334250 VHJLCWNIJVCYAU-UXHICEINSA-N 428.581 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1ccnc1 1722387929 RUBWITCWGKBGLS-UHFFFAOYSA-N 427.512 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C2CC2)N(C)C)CC1 1722449263 OUYRJMOWGVXICV-HXUWFJFHSA-N 440.617 2.236 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722455925 YAYLPMUPVXDUDQ-SJORKVTESA-N 441.557 2.044 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOCCOC)CC1 1722560647 ATRGGARTWAHJPT-UHFFFAOYSA-N 449.577 2.015 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCNS(C)(=O)=O)C1 1722713489 BZNZRBOCUUKIAM-OAHLLOKOSA-N 439.969 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCO[C@@H](C)C1 1722727514 JBDUNKLYMINJIP-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOc2ccc(F)cc2)CCOC1 1728816178 HOCRPPXWBGTOQV-SIKLNZKXSA-N 445.495 2.267 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730490430 MCVGCRLDXSZCRO-KRWDZBQOSA-N 438.463 2.473 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1730762813 MUTJVAFNHZSLJH-MOPGFXCFSA-N 438.532 2.202 30 10 IEEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1730880007 DBYDKGVDBVWCAD-RXVVDRJESA-N 433.553 2.124 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1740534608 INHASDZUJDOGNN-FDDCHVKYSA-N 435.532 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(OC)c1 1740559211 YVIXOLQDCKJVAL-QGZVFWFLSA-N 435.532 2.036 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@](C)(O)C(C)C)c1 1740563378 UGBGYZPTETWIMM-HSZRJFAPSA-N 433.516 2.198 30 10 IEEE C#CCCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740578676 LOROACLOKPEWEL-MSYCTHLASA-N 429.565 2.370 30 10 IEEE C#CCCCn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1740596412 DZHVZVGEKVXUIW-UGKGYDQZSA-N 427.553 2.393 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1nnc(C)s1 1740599212 UEIOSZCTIKWDIE-UHFFFAOYSA-N 429.937 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(O)cc2)CC1 1740705378 GOUTZZKPXPHUNL-FQEVSTJZSA-N 437.544 2.086 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(O)c2)CC1 1740833842 YIVAQRKGYRXPCQ-CQSZACIVSA-N 435.550 2.053 30 10 IEEE CC(C)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741605196 CMBBRRIVEZSPGX-LJQANCHMSA-N 425.537 2.395 30 10 IEEE CC(C)NC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741704401 RCEBUCLVOMHCAM-CALCHBBNSA-N 445.568 2.313 30 10 IEEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(Cl)cc1 1741831689 FAYDRZBRSPFDJV-MAUKXSAKSA-N 444.923 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1748665612 SPWKRFJTQJGPRE-RBUKOAKNSA-N 431.544 2.462 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CCOC)C1 1748735852 UJUUGYGEWBMFME-GOSISDBHSA-N 445.589 2.472 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804940 MPYQTWDHPVSTIP-PCCBWWKXSA-N 428.558 2.381 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748825206 WNUNLFZTSJSLIY-FGTMMUONSA-N 444.557 2.148 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)C(C)C 1748887059 RHXJWUXPCLDVAO-LJQANCHMSA-N 442.589 2.372 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CCCC1=O 1748970444 DFWRLHAWYZEMGP-OAQYLSRUSA-N 437.544 2.386 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749268853 IDFVLHYDNKTKCV-VKJFTORMSA-N 429.974 2.132 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(OC)c2)CC1 1749286104 FIFJMRCJZVWLNE-MRXNPFEDSA-N 449.577 2.305 30 10 IEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1749376696 BQRWKIHAAUFBFO-LJQANCHMSA-N 445.589 2.355 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1749748862 BOYHFZGSGDEJDB-OAHLLOKOSA-N 429.546 2.302 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC=CCO1 1749806068 GLVFPGBJLYRPHK-VQTJNVASSA-N 436.516 2.099 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F)S(C)(=O)=O 1750089955 NGQLGRQVHQFIRW-KGLIPLIRSA-N 441.504 2.356 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760185845 FLYYKGDEBIDYKX-QZTJIDSGSA-N 433.578 2.143 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1760190705 UNNWGPYCMVZEKJ-OALUTQOASA-N 445.614 2.176 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCc1cnccn1 1760312996 HNMGLQUGJRATHN-HOCLYGCPSA-N 437.342 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1760522953 IBLXYEXWKUSLGZ-KRWDZBQOSA-N 433.516 2.065 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC(F)F)c2)C1 1760534270 UPRIRROBXBHUGF-HNNXBMFYSA-N 436.463 2.242 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760549548 GTBUEEQNWHEHKH-RTBURBONSA-N 437.610 2.216 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760559899 VDYXYELTCVEWBS-XGHQBKJUSA-N 435.594 2.206 30 10 IEEE CC(C)(C)C(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1760714306 BBKHGMJJNQVIIV-KRWDZBQOSA-N 435.532 2.241 30 10 IEEE Cc1ccccc1-c1nnc(N(C)Cc2ccon2)n1CCN/C(O)=C1/N=CC=CC1=O 1762046551 GJOPDKFIYOBRDC-VZCXRCSSSA-N 433.472 2.404 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1763044330 OMEMYRUCPMHUNQ-CABCVRRESA-N 446.506 2.377 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1765397773 BTXDFEAPGAOCDD-UHFFFAOYSA-N 447.547 2.371 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1(F)CCC1 1767942742 LQLQKRCDDUJCPF-MRXNPFEDSA-N 428.516 2.474 30 10 IEEE CN(CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1768892349 IFNOVIDGTFPJIL-GOSISDBHSA-N 441.536 2.250 30 10 IEEE COCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1770153994 YERGDTWQVBGQPN-MOPGFXCFSA-N 429.521 2.427 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1770201903 GZMSWYCZZYJYGC-XQAUZQBESA-N 446.458 2.222 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1)OC 1770778640 AZJYIGLAEHJZJY-NDXORKPFSA-N 441.532 2.394 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccsc1)N(C)C 1771305316 ZDZOAVGDMUMUDR-KANFNMMFSA-N 446.577 2.095 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CCO1 1771536969 FUZFIZAFZVJWJW-ZFWWWQNUSA-N 438.385 2.164 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(C(=O)N3CCCC3)C2)[C@H]1c1ccc(C#N)cc1 1848980265 ONJWHXJLSUIHMW-RTWAWAEBSA-N 440.569 2.033 30 10 IEEE Cc1cccc(-n2ncc(C#N)c2NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)c1 1850337706 NJNHZRJETWBTGP-UHFFFAOYSA-N 429.436 2.492 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)c1C#N 1851837348 FWVCHGNETZQVAQ-SFHVURJKSA-N 431.500 2.060 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1 1852372668 DFWOJGMMAHOYTQ-HNNXBMFYSA-N 425.514 2.176 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)c1 1852446399 HHLBZSMZBYPKII-RTWAWAEBSA-N 438.528 2.012 30 10 IEEE Cc1cccc(OCC(=O)N2CCC[C@H](NC(=O)c3cnc4c(C#N)c(C)nn4c3C)C2)c1 1852662816 IYLRRIIODYAUCU-SFHVURJKSA-N 446.511 2.326 30 10 IEEE C[C@H]1CC(=NC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)NN1c1ccc(Cl)cn1 1852733771 JLORHZGEXQEQOI-YOEHRIQHSA-N 443.939 2.441 30 10 IEEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)ccn1 1853658110 YUQXSBSKOMDDJO-CQSZACIVSA-N 427.360 2.134 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cnc(C)cn2)CC1 1855572625 IGFBDZLHFVOCQK-UHFFFAOYSA-N 426.498 2.245 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cc(F)c(F)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855740031 MHIIDTSJCYJXIC-NSHDSACASA-N 437.399 2.037 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@H]2C)cc1 1856359899 BFSFAIHDMIAVLC-MRXNPFEDSA-N 425.510 2.491 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(C)nn1C 1857024292 RRHVIRYSXYEQLU-MRXNPFEDSA-N 428.514 2.187 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1OC 1858626783 BMYZTQRUMYZPCD-UHFFFAOYSA-N 430.486 2.114 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1 1858678294 MZYDQFODSWHLFE-UHFFFAOYSA-N 449.492 2.323 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862694465 KMMDBJHJOIKKOH-LJQANCHMSA-N 439.424 2.318 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870983047 KAFFZOSRLIUSKT-LJQANCHMSA-N 437.500 2.197 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874500899 GCDZHEFUAHKWOB-AWQFTUOYSA-N 430.446 2.216 30 10 IEEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCCCN3CCOCC3)ncnc21 1875230002 KLDXHCQFYMKCAR-QZTJIDSGSA-N 442.564 2.001 30 10 IEEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)c1 1892009260 PKCVROKOGQSYBG-UHFFFAOYSA-N 444.513 2.038 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2060639683 KRVLQIWFDFWJPF-QGZVFWFLSA-N 435.374 2.328 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2174787698 XATIMYIRFGFEGE-ROUUACIJSA-N 433.461 2.060 30 10 IEEE Cc1cnc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224139312 JYWUJTFHPOCMEZ-HZPDHXFCSA-N 433.358 2.154 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102870 PSVWTNQYSRURSQ-CVEARBPZSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NCc3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2255123459 RDWMAWMMEFBJBC-WCJKSRRJSA-N 434.342 2.493 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2255628186 DYIWVJYFUKNVLQ-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NCCC1CC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628255 FUJDQISHBOPRQD-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2255820754 AXMJGISRUVCGRR-CVEARBPZSA-N 431.342 2.475 30 10 IEEE COC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255823905 ZORHTNACUOQWNK-UHFFFAOYSA-N 447.728 2.188 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256615382 UFKLSXBEAIWNNT-CZUORRHYSA-N 433.314 2.002 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256676787 QQJYCRHUSPEUJZ-QGZVFWFLSA-N 435.374 2.279 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267095872 GRQSITOSQYWAFX-GOEBONIOSA-N 448.373 2.474 30 10 IEEE Cn1nc(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267126675 CVWLRPNEJOFITL-CABCVRRESA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267133566 DFLGAHNTSAZFEO-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE CN1CCC(N(Cc2ccccc2)C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1 2267180952 LGHVZUPAMCERFQ-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267263505 GXCQRPBLOVRMHG-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2267288081 ZWFLKOFQPGOXNG-RTWAWAEBSA-N 437.349 2.039 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267510694 PJVHDZBKWLRKMB-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2267513661 QAIOJDNRNDKKRT-MHECFPHRSA-N 436.365 2.032 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267519169 GLIIYJZTCVAFFS-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267803835 MQWQQAQRWFNAQR-CYBMUJFWSA-N 448.325 2.136 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2268631881 DLXIFHRAPIVLLM-INIZCTEOSA-N 447.341 2.001 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268640839 JVOQZPGNCJCOFI-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268640921 ZWBIFEMTKIMQOA-INIZCTEOSA-N 448.325 2.381 30 10 IEEE CC(=O)NCc1nnc(S)n1N=Cc1cc(Br)c(O)c(Br)c1 2321943103 YEKIHTRYZXVVFK-UHFFFAOYSA-N 449.128 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322311134 OVUXYYOXYKPFJM-HZPDHXFCSA-N 437.321 2.302 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367791632 YJYXZLYZTAMZMS-QKNQBKEWSA-N 434.558 2.101 30 10 IEEE CCC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 59890430 HHZYCJRMTOZRIC-RGVLZGJSSA-N 425.540 2.161 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCCCC3=O)cc2)cc1 96352655 VCWUGANRXLXOQH-UHFFFAOYSA-N 426.494 2.320 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCO2)cc1 460927608 JJMPFIPONTXHBQ-QZTJIDSGSA-N 446.577 2.325 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)[C@H](C)C1 461846570 BSKHKJUZCGERJE-DYESRHJHSA-N 438.532 2.355 30 10 IEEE COc1ccc(Br)cc1CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 471682511 JEPXCWDWUPIWFM-UHFFFAOYSA-N 432.322 2.263 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 480737580 PEFPLFYKBLGXPF-UHFFFAOYSA-N 439.534 2.251 30 10 IEEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 485578195 CMGSDFZJCHOQGR-CHWSQXEVSA-N 429.502 2.183 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)COc2cccc(I)c2)CC1 486353530 VCDCMRIESWGLRN-UHFFFAOYSA-N 448.264 2.285 30 10 IEEE CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccccc1OC 503628026 XAKGSEHBTSPRFK-WMZHIEFXSA-N 440.544 2.359 30 10 IEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508847783 WHTVKNLNLOOAFD-HXUWFJFHSA-N 439.560 2.333 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 523306209 VEWPCHZRUUPAOF-UHFFFAOYSA-N 446.475 2.013 30 10 IEEE CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1 524938107 NCFHGKIDZLQLFP-IEBWSBKVSA-N 443.573 2.476 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)CC2)o1 526982037 WWLVPMUNQYAOAZ-UHFFFAOYSA-N 443.454 2.334 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCCCC(F)(F)F)c1=O 530317954 UAXXKLPQAFGFNP-UHFFFAOYSA-N 438.475 2.248 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(-n2ccnn2)cc1 539493857 YVGGNFMTILQFPK-FDDCHVKYSA-N 447.518 2.466 30 10 IEEE COc1ccc(C(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1OC 543264732 FXRSTUXIZPTRNF-UHFFFAOYSA-N 438.484 2.291 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O 588934487 KSUILXRNCSYIDQ-HSZRJFAPSA-N 426.517 2.424 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CC1 608280978 SBHIFGJTOAXYIK-UHFFFAOYSA-N 440.573 2.158 30 10 IEEE CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609255417 AYGKHJRNZGOQLQ-UHFFFAOYSA-N 446.504 2.170 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1-c1ccccc1 611916248 XRQKIRXDCVJFFV-UHFFFAOYSA-N 440.528 2.476 30 10 IEEE C#CCN(C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)[C@H]1CCS(=O)(=O)C1 730214030 UOXFDNPLPOXTTK-NRFANRHFSA-N 427.570 2.438 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 744940211 BNFNDTGYYZAKGH-WNHJNPCNSA-N 427.501 2.403 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1C#N 747499260 YCXVSKLWGHUUMU-UHFFFAOYSA-N 434.427 2.171 30 10 IEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC1CCN(c2ccccc2C#N)CC1 750045443 JPPKIIAFYQFEMD-UHFFFAOYSA-N 449.555 2.260 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccccc1 754947067 QMJXXFUKKWYXDV-INIZCTEOSA-N 426.477 2.117 30 10 IEEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1 766416318 PFDSXTZMTYLKKL-LJQANCHMSA-N 440.573 2.239 30 10 IEEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 767682066 UJTOCJCIGINBNS-KRWDZBQOSA-N 434.558 2.154 30 10 IEEE CCS(=O)(=O)N1CCC[C@H](C(=O)Oc2c(Br)cc(C#N)cc2OC)C1 769716289 IMZUKBDLANAKTN-LBPRGKRZSA-N 431.308 2.296 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1)c1cc[nH]n1 770825522 XEHBETOLVXFDQU-OAHLLOKOSA-N 447.923 2.252 30 10 IEEE C=CCC[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 772781971 OIDPBCVJUUOWLX-INIZCTEOSA-N 426.510 2.337 30 10 IEEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O 774252795 WZGHPLFIMVBGBZ-QGZVFWFLSA-N 434.606 2.464 30 10 IEEE COc1cc(OC)cc(S(=O)(=O)NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c1 774403699 CNOCIMIODVJOHW-UHFFFAOYSA-N 426.454 2.188 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782417224 DVMFEDCMKYFPJV-LRTDBIEQSA-N 433.509 2.303 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)C2=O)cc1 784909247 SAZXCKKWWCPHFX-JOCHJYFZSA-N 433.424 2.371 30 10 IEEE CCc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)cc1 786687469 HIVUPLVECOAGPP-GOSISDBHSA-N 449.598 2.284 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 789035861 CMUYZMNKDABLLN-LJQANCHMSA-N 429.908 2.133 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C)cc(C)c2OC)c1 800835572 MCIJIDLFSRNJHP-UHFFFAOYSA-N 442.537 2.347 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)[C@H](C#N)C(=O)NCCc3ccc(OC)cc3)c2C)nn1 917034903 NGRSVXUHNUZCFI-SFHVURJKSA-N 448.483 2.059 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c1 1083942790 RKUVDJNDBOABCT-UHFFFAOYSA-N 431.453 2.022 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(F)c3C)n[nH]2)cn1 1084163583 LKKYMRCELUYPKC-UHFFFAOYSA-N 432.485 2.272 30 10 IEEE CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@H]1OCC#N 1084293204 DJVDRQLVXOHILZ-VXAMWORUSA-N 438.480 2.456 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1 1136334943 KMIKHGJJLMMWQB-GOSISDBHSA-N 444.532 2.304 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1Br 1137567909 RYUCGFIGKUFDLL-INIZCTEOSA-N 443.257 2.089 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1157760608 MZXWJCFZGHPXOQ-CVEARBPZSA-N 432.546 2.034 30 10 IEEE C=CCSc1ccccc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)CCO)ccc21 1166056076 DEOKBCTYUIQJQP-UHFFFAOYSA-N 448.522 2.277 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)C2)nc1 1178460925 VCADQSPKBQHJII-OAHLLOKOSA-N 449.483 2.003 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C)cc(C(N)=O)c1 1189221572 WPBPFXVUSUYDDK-FQEVSTJZSA-N 430.526 2.445 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(C#N)c1C 1256652080 AGPPSTHYAAPZCK-CQSZACIVSA-N 445.497 2.310 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnc(C)s1 1286280069 SRFKMEQLKJVCCL-AWEZNQCLSA-N 444.586 2.467 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC1(OCCOC)CCOCC1 1286372808 FLNWOSMAFCZMTC-UHFFFAOYSA-N 434.487 2.429 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286390468 BBMWBXHDFBZJGM-NZQKXSOJSA-N 444.601 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(=O)NC 1286421446 DSJVCLHFPVAPNN-UHFFFAOYSA-N 445.365 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccccc1 1286426447 VUZUWDMCHZDDNV-DEOSSOPVSA-N 431.496 2.376 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1286442639 HXSODKNWQRMGOM-UHFFFAOYSA-N 449.559 2.439 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 1286470265 WAXKAOOMZFDKGE-ZWKOTPCHSA-N 436.560 2.104 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286535729 FUIKVDWTQGCBIS-UHFFFAOYSA-N 434.342 2.036 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@@H]2C1)c1ccccc1 1286678467 XNCRGPCTBUJSKD-RTWAWAEBSA-N 438.576 2.297 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1286748734 ZTGRMRQRHAKHRA-GOSISDBHSA-N 426.496 2.087 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1286798408 KMTWRIWHDYETDD-WMZHIEFXSA-N 439.516 2.272 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1287787524 CPIDGDUCUYQYCS-NHCUHLMSSA-N 442.539 2.094 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1291388797 CUQVRUSPTHWRJG-HRAATJIYSA-N 433.578 2.485 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)N(CC)CC)CCCCC2)s1 1291971062 OCADBTFFKZKFAX-UHFFFAOYSA-N 441.619 2.442 30 10 IEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCO[C@H]1CCOC1 1297279792 WVLNACOJYJOFHP-FQEVSTJZSA-N 440.548 2.208 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300317208 MEXKNQSPRRGTGF-QUCCMNQESA-N 429.590 2.193 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1300403416 LCRFZPUZIQKTJJ-KRWDZBQOSA-N 447.543 2.316 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300989526 PFDPCRDSZXTTCC-FQEVSTJZSA-N 447.580 2.188 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)CC1 1301219549 MCTJRLHAPACITI-UHFFFAOYSA-N 442.537 2.429 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1301272145 CDHNWYRELYVKBS-SCLBCKFNSA-N 425.580 2.060 30 10 IEEE CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1303078419 CAZDEKUDYATPOT-IBGZPJMESA-N 446.577 2.165 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1303092861 UEFYNESSPMGOKE-UHFFFAOYSA-N 437.544 2.383 30 10 IEEE CC[C@@H]1CCCCN1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1306324048 OCGRPTIINHYUQX-ZRCGQRJVSA-N 446.596 2.312 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(CN4CCOCC4)cn3)CC2=O)cc1Cl 1306821882 DVVRULIQYITJOG-QGZVFWFLSA-N 439.903 2.430 30 10 IEEE N#Cc1nc(NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)ccc1Br 1311071870 DGNNFKLTDZCFCC-KRWDZBQOSA-N 443.305 2.092 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCOCC(F)F)c1 1316530011 SHXLAGKNLIFTPH-QGZVFWFLSA-N 430.459 2.300 30 10 IEEE CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)s1 1324304716 JAKGOTFFUKDHJH-CQSZACIVSA-N 443.594 2.398 30 10 IEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1358915947 VGTGICAANKVRNH-FQEVSTJZSA-N 436.560 2.431 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@@H]2CCOC2)cn1 1358997281 MFUUXDPUXUAIJZ-OAQYLSRUSA-N 446.559 2.003 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CSCCS1 1359019297 QADHVADUBOXURW-YLJYHZDGSA-N 440.635 2.253 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCc2cc(OC)ccc21 1359023648 QMXVHZUSTHEETF-WIYYLYMNSA-N 437.544 2.444 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1359070488 NSRZEDLLDCVEST-FOIQADDNSA-N 433.603 2.434 30 10 IEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359150675 DHYHZCABJZKYLQ-OAQYLSRUSA-N 444.971 2.167 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H]1C 1359263422 BCEOCBVWGRKCPP-PVAVHDDUSA-N 437.591 2.446 30 10 IEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCO)CCOCC(F)(F)F 1359286891 ZBCFCAWWNNQPPH-UHFFFAOYSA-N 438.410 2.158 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC2(CCCC2)C1 1359326852 LHYMNTUCPCBLCB-UHFFFAOYSA-N 435.594 2.276 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1359327227 WDVSGBOFJLYXAA-UHFFFAOYSA-N 433.578 2.338 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCS(=O)(=O)CC 1460912858 HSWGRENVUNHIEP-UHFFFAOYSA-N 433.324 2.039 30 10 IEEE CC(C)n1ncc2c(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc(-c3ccccc3)nc21 1470360091 BZXXAUNVHRZESW-UHFFFAOYSA-N 443.467 2.243 30 10 IEEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1472364542 WKEILEBCKKIFKX-JQCPSUHGSA-N 437.515 2.300 30 10 IEEE COc1cc(CNC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)cc(OC)c1OC 1473838964 OJMJUHXGDYUFJV-NRFANRHFSA-N 425.485 2.274 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)CCO2 1478418384 PHUHNANAEDJAGV-ZUZNIGHFSA-N 437.500 2.259 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(F)(F)F 1479165037 HDNUDGWQVLFAAI-OAHLLOKOSA-N 445.467 2.012 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1501194211 FITRMPFIKCGANI-QGZVFWFLSA-N 437.548 2.036 30 10 IEEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCn1cc(CO)nn1 1503037089 GWZLFGTZTTUFSK-UHFFFAOYSA-N 448.531 2.154 30 10 IEEE CCOCc1nnc(N2CCc3ccccc3[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1503073946 ZPQDDVJDKSAIQM-YIYXVTKBSA-N 436.516 2.465 30 10 IEEE COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)N(C)C)c1 1504323837 DTUALIOEPHKQEW-VQIMIIECSA-N 427.553 2.466 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCOC(F)(F)F)c1 1505313814 IBZUZCFVOCQCNH-LJQANCHMSA-N 434.422 2.460 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1507572713 VEFKVRSAFUBPDT-UHFFFAOYSA-N 431.500 2.335 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCc2ccccc2)CC1 1507574704 PCPLPFPRXJWJFU-GOSISDBHSA-N 445.589 2.487 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507590350 BFJVCJNTQVSCFM-QHCPKHFHSA-N 438.507 2.236 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)CN(C)C1=O 1507702618 VSWONNZLGHBIIJ-MBSDFSHPSA-N 425.508 2.429 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2ccnc2C)CC1 1507720286 JDUMLJYZFHLJCW-UHFFFAOYSA-N 434.504 2.204 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2=CCCOC2)CC1 1507741261 YHKCGWFABYNHKL-UHFFFAOYSA-N 449.555 2.212 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1507843858 WIBGMJSVVPZPHN-SFHVURJKSA-N 428.512 2.288 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507847345 GLWQMEKHAIUAEI-KRWDZBQOSA-N 438.525 2.212 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507912989 SKHYJEBCVBDEKJ-UHFFFAOYSA-N 441.580 2.059 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1508087116 BDKFVSBAAXWKEP-VQTJNVASSA-N 427.549 2.343 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)C1 1508124627 LYEMCVZPYHTZKV-HKUYNNGSSA-N 432.546 2.041 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)C(C)C)C1 1508127505 VKILCHZAOCBHPR-FXAWDEMLSA-N 441.532 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1508136403 FYTFVOISXQAZTD-APWZRJJASA-N 434.562 2.416 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)N(C)C 1508415123 BXQXPWJOSPALJU-GFCCVEGCSA-N 428.921 2.225 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1517551357 CLPYHZRREZZEPF-QFIPXVFZSA-N 440.573 2.037 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)N(C)C 1518003600 CJROUCNCNMCAQQ-ZDUSSCGKSA-N 440.957 2.094 30 10 IEEE CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1532323586 IBKHCBXTLZPVLW-OAHLLOKOSA-N 446.916 2.252 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)CC2)nc1 1534773152 BKZHIMLWWBKBHI-WOJBJXKFSA-N 437.475 2.351 30 10 IEEE C[C@@H](Sc1nc(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cs1)C(N)=O 1539069586 MRNWDFZIHXEHPM-XEBKBJJBSA-N 445.570 2.425 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539117853 WWJYOYSBDIVFNX-SFHVURJKSA-N 440.935 2.258 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539216973 YKTOYPFPAAYBMB-UYAOXDASSA-N 433.622 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539630160 ZBRXKVDUZTUATJ-LNLFQRSKSA-N 433.578 2.278 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1539644369 OJOWUENZMLUKMJ-AVRDEDQJSA-N 431.581 2.463 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539809997 GTQRFEIAHUKNEH-KRWDZBQOSA-N 431.972 2.053 30 10 IEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(N)=O)CC1 1539954973 LBICOYBURRWREK-UHFFFAOYSA-N 435.536 2.369 30 10 IEEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC12CCC2 1544331357 DEKJGLWZVBZVGM-INIZCTEOSA-N 428.562 2.382 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1556305964 KWCUOBWVCPVYLE-LJQANCHMSA-N 429.517 2.082 30 10 IEEE C#CCOc1ccc(CNC(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)cc1 1564798606 OAPJOCMARCQLPL-UHFFFAOYSA-N 441.488 2.218 30 10 IEEE CN(CC(=O)NCc1ccco1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1565599566 CNSHIHZNTNJMHH-BXFSZVDSSA-N 430.505 2.141 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1587569045 UZCYTVPLFRVTME-OSPHWJPCSA-N 437.544 2.111 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588059548 QEPRSYYUJUFKEQ-NRFANRHFSA-N 443.617 2.356 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1589151406 YRFVXUPBNDJROK-OXJNMPFZSA-N 435.594 2.087 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1594858345 YYNDJESHRMWXMP-UGSOOPFHSA-N 427.958 2.072 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 1595964848 ANSMDCCCGMGCAK-UHFFFAOYSA-N 440.521 2.137 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC)C(=O)OC(C)(C)C 1606590799 CBFOORSMISBYIU-QGZVFWFLSA-N 439.553 2.341 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)C1 1607592905 FYLNRCDATQGHQU-KNQAVFIVSA-N 427.528 2.063 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC2(CCOCC2)O1 1612977746 HOSZWPSBLSZCRS-KRWDZBQOSA-N 441.532 2.274 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccnc(OC(F)F)c1 1614027819 FUAZGOUQPLWLOK-UHFFFAOYSA-N 440.458 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1CCCOCC1 1616905928 AXCLJFZXOJPFTB-FQEVSTJZSA-N 428.533 2.231 30 10 IEEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(C(=O)CC#N)CC1 1622395873 LZDWTYBWQBBXCT-QGZVFWFLSA-N 446.507 2.498 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3nnc4n3CCCC4)C2)C1 1623753263 KYCWIRYRDZSFLV-JXORXQGFSA-N 428.537 2.060 30 10 IEEE CS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1627109458 YVKFUKULKGQSQJ-YIZRAAEISA-N 444.344 2.040 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1628663235 YHPCHCRIOSHNQR-JOCHJYFZSA-N 441.553 2.459 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1631745668 XGTWXIAOEMIJMZ-BFYDXBDKSA-N 428.537 2.325 30 10 IEEE CC(C)(C)S(=O)(=O)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1633710318 UHIKKEMCNIAKLQ-UHFFFAOYSA-N 428.352 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCn4c(nnc4C(F)F)C3)C2)C1 1634406871 SSSKVGDLDSEYQA-BTTAGBNVSA-N 436.463 2.345 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(Br)CC1 1637417421 VFGUVMWHHBCOGA-ZDUSSCGKSA-N 428.352 2.328 30 10 IEEE N#C[C@]12CN(C(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1648155990 UIJISXORODEIEK-IEIRFRATSA-N 440.521 2.086 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1 1649057534 UMGDPMNDPOSPAH-UGKGYDQZSA-N 426.494 2.011 30 10 IEEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 1666413646 UFJVKJCJUIXCAB-SFHVURJKSA-N 448.589 2.357 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)OCC 1670885974 IBXHVEMWXINARZ-ZDUSSCGKSA-N 442.843 2.331 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 1674304906 MAZKKARUWQUFKC-OAQYLSRUSA-N 428.577 2.352 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 1680685829 OFAHVYLOEBETKL-OXJNMPFZSA-N 429.583 2.314 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3c(F)cccc3F)CC1)C2 1687386240 CGHHXHDEYCPUED-KRWDZBQOSA-N 446.479 2.020 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](COC)C1 1689916439 KBUATFXORBEMAO-SFHVURJKSA-N 445.589 2.472 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1689926474 QCGNUIJJOXWJGX-QGZVFWFLSA-N 447.543 2.351 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689991050 VCICQUSZHZCTST-BZSNNMDCSA-N 438.594 2.208 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(CCOC)no1 1690244939 AYQYUNDVDWTVNL-ZWOKBUDYSA-N 446.552 2.362 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccn2)CC1 1690319594 RZTDWQRABOOZOP-UHFFFAOYSA-N 436.564 2.454 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 1690678064 JMAHAVKYOVAQOJ-SJORKVTESA-N 448.568 2.268 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)c1 1693030019 ANAFBOIUWJQWDW-UHFFFAOYSA-N 441.513 2.222 30 10 IEEE CCc1nnc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)s1 1694617384 CCMGERBDVUXJHE-SFHVURJKSA-N 446.537 2.174 30 10 IEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1695048774 SXINTCDHKIUUEG-DHIUTWEWSA-N 441.532 2.276 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1695411358 XUBVCOYXCBRWKP-HXUWFJFHSA-N 437.548 2.086 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1695495918 ANLJVPWAAWDMMX-SBUREZEXSA-N 438.532 2.069 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1696501204 ASUKJSCMOUOUPJ-GOSISDBHSA-N 440.529 2.343 30 10 IEEE CN(C)CCOc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)c1 1696616930 FBTHRORNRBHUGQ-QFIPXVFZSA-N 438.511 2.109 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1696995866 GEMZYJGORIPSPX-AVRDEDQJSA-N 440.548 2.362 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)N(C)C)c1 1705507353 YUWGNGKWFCUVGX-GOSISDBHSA-N 431.544 2.270 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705569016 CAUYCVYONKDTOM-LJQANCHMSA-N 447.630 2.041 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1705644943 HGQZJBDMYVRHSW-LJQANCHMSA-N 436.560 2.087 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1705736730 AZLXPXDXUKFNBJ-FQEVSTJZSA-N 430.574 2.378 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705757873 AWHWDKUPCFQJQJ-INIZCTEOSA-N 430.944 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCC2=O)CC1 1705899412 RMPBIMCCEOFPJO-UHFFFAOYSA-N 442.951 2.492 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705903638 ZEFNQDVKTZORMG-HZPDHXFCSA-N 430.578 2.487 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 1706325693 YXJCTGHMGKXUGZ-MOPGFXCFSA-N 443.573 2.085 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCCC2)CCOC1 1706678098 BSOUFVJXIRYIPF-NFBKMPQASA-N 446.596 2.312 30 10 IEEE Cc1csc(CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1707728111 FNLCFTJIFZOECT-ZJYNUGOYSA-N 442.545 2.315 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1710620594 BZOPGOZWKNRGFR-IBGZPJMESA-N 426.521 2.259 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1711019281 APWGOOGTBQAEBM-UHFFFAOYSA-N 434.591 2.040 30 10 IEEE CO[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1711546463 MYGPBMUSRZDUCT-GOEBONIOSA-N 437.342 2.446 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CCC1(O)CCC1 1712453948 DUWZVPOCMNUVLW-LJQANCHMSA-N 427.505 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C(C)C 1722276466 HJOUUJFUHVVOGW-HNNXBMFYSA-N 429.521 2.201 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1722359612 VADDEZMTHKQLSF-BPQIPLTHSA-N 435.594 2.184 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722363787 VMQWSTUTRQCQMQ-LJQANCHMSA-N 441.601 2.365 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722365882 OCPYUDCNRZTZAM-PXNSSMCTSA-N 430.574 2.087 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722686973 AYKMWRGQRMCDLP-QGZVFWFLSA-N 443.621 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1722716055 SGCGDQZVJWHTOH-DLBZAZTESA-N 432.546 2.170 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722719517 VKTXLYOKHRVEDT-DLBZAZTESA-N 442.507 2.394 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1728850086 WGBZNRBPVSZZOA-VFNWGFHPSA-N 428.468 2.073 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1729647391 DSVLPBRDRNLRHN-XXBNENTESA-N 436.516 2.036 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1(C(N)=O)CCOCC1 1729987933 GPNGUBFKSWCPCD-AWEZNQCLSA-N 446.939 2.485 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1730994202 HSUMMFRPBRGADS-OAQYLSRUSA-N 440.504 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1740540080 XJUNOSXKJRMOBM-MBSDFSHPSA-N 433.597 2.278 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COC(C)C)C1 1740595367 RNYMVFAREGRHDG-QGZVFWFLSA-N 431.562 2.313 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740596272 ZOHSEOJHGHEVID-UHFFFAOYSA-N 449.552 2.175 30 10 IEEE C#CCCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740596352 BVSTYIQPEZKSCS-QFIPXVFZSA-N 427.553 2.240 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccco1 1740667753 OZRDEKVSFWRWKG-NRFANRHFSA-N 442.545 2.198 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)noc1C 1740669319 VMYHFMSTHFUHBZ-UHFFFAOYSA-N 427.534 2.351 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCCC1 1740678850 UJYPURVHRRWPBM-UHFFFAOYSA-N 445.951 2.253 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1740695639 ZOAOZOLFRLBTPV-QFIPXVFZSA-N 437.935 2.051 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740720454 ZEDFPJPJUNGTIA-DLBZAZTESA-N 444.630 2.309 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740722730 IRFJEIBQGTWUFI-NQIIRXRSSA-N 445.593 2.118 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCN(C)CC2)C1 1740970187 GRTKZFJNAIBRNC-GOSISDBHSA-N 448.637 2.123 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1740979831 LPBOMXNIRZNXMQ-CVEARBPZSA-N 448.568 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)C1 1740985694 SZVCCHGQYHIVHV-DRSNIGMVSA-N 432.496 2.317 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1741806736 ABVXSRQOUGRNDK-AWEZNQCLSA-N 427.509 2.042 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)C1 1741987547 FQLNRENESKKXKU-QFIPXVFZSA-N 430.553 2.116 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1744698675 ZBRFSCCIXNIYNF-MRXNPFEDSA-N 440.552 2.347 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1747939776 KYTFGNHVKZRKDP-UHFFFAOYSA-N 449.487 2.328 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1748812089 POWWKEJIWUBNLU-SFHVURJKSA-N 431.562 2.030 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748814286 CRFCUGFUYHNUFJ-MRXNPFEDSA-N 447.527 2.057 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC 1749056716 QIRRWAJETQDTFV-OAQYLSRUSA-N 432.546 2.389 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749218838 ZJTPNVXPIDKGON-JOCHJYFZSA-N 442.520 2.254 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 1749354369 OOSUQJUSKLPNQM-QGZVFWFLSA-N 426.631 2.269 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1749398601 LSQKPICANZRXHI-MRXNPFEDSA-N 430.582 2.462 30 10 IEEE C=CCCCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749429118 GDHADKRTTHZMHP-UHFFFAOYSA-N 428.581 2.452 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749450253 AAJFXCQWFMFAKS-NHCUHLMSSA-N 432.613 2.327 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1749488397 JUVWCVKJQFIKEN-GOSISDBHSA-N 430.578 2.236 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1749575603 VBIRUHKRFXLPJF-FQEVSTJZSA-N 439.516 2.218 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Cl)=C(Cl)C1 1749731023 ZDVRKLXNIAAYGL-UHFFFAOYSA-N 431.349 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCCCC2)CC1 1749741333 YHQSZKLFHYWPOC-LJQANCHMSA-N 437.610 2.185 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1749978462 DREUWIYWZGMMJJ-AZUAARDMSA-N 449.559 2.084 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760115109 ZBHRSTAPMZMZMS-CVYDXHPNSA-N 430.553 2.361 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCc2nc(C)no2)c1 1760128908 WDWFPXBZELSFNC-SFHVURJKSA-N 449.515 2.162 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1760148673 IRHUROREVIODMH-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1760178738 YVYRFAKNKRUSFS-NRFANRHFSA-N 427.549 2.292 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1760245047 PCUVXWWTTCLBSB-DENIHFKCSA-N 441.488 2.277 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(F)cc2)CC1 1760251617 DKJHKUYEIZQRJA-UHFFFAOYSA-N 426.540 2.334 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccco2)CC1 1760254859 NHCTWBWJZVDEMV-UHFFFAOYSA-N 429.322 2.443 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1760259881 QZTFWPNBLXIMSZ-KRWDZBQOSA-N 431.487 2.285 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760348844 OCPYUJASPYQNPW-HKUYNNGSSA-N 443.552 2.012 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC)c1ccccc1 1760360532 FPGYAZIKUZTCDD-SFHVURJKSA-N 431.500 2.354 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1760412870 TWDALUOFVDPQFO-HNNXBMFYSA-N 425.599 2.133 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760417034 SSZPUJOFNRIQFY-ULQDDVLXSA-N 426.583 2.228 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1760874768 PAGSWQIXFOHVNW-XZOQPEGZSA-N 441.532 2.131 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)n1 1762415246 CXCAQCBWGYAFRB-OAQYLSRUSA-N 435.532 2.453 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1764543809 KLJMJMOEKKBZOB-IBGZPJMESA-N 433.520 2.166 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(C)cn1 1766089404 APQDZJFONSPSCZ-GOSISDBHSA-N 437.504 2.190 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1767223556 UGAYIQJNYMRUNZ-JVMRMLDLSA-N 430.553 2.398 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2OCC[C@H]2C)cc(OC)c1OC 1769827046 IFZGOCXXCWCYKF-SIXWZSSISA-N 443.504 2.125 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1769996014 VAMRDYDHWJROFF-KKSFZXQISA-N 440.483 2.073 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(CC(C)C)C1 1770051916 QFXSNDWUAJBCJZ-AABGKKOBSA-N 434.585 2.099 30 10 IEEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1770149623 YVXBBTFURXZREF-NHCUHLMSSA-N 441.532 2.285 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1770803322 SXBSVTFTNRCOKF-RADWXHQJSA-N 445.495 2.097 30 10 IEEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1771067019 DBXISCIJFUOBSW-UHFFFAOYSA-N 433.516 2.179 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccc(F)c(C#N)c1 1851280994 HYEHVMKXLKQOSF-UHFFFAOYSA-N 448.472 2.474 30 10 IEEE CS(=O)(=O)c1ccccc1OCC(=O)N1CCC(COc2cccc(C#N)n2)CC1 1852543183 IOGODFRTTBDMGY-UHFFFAOYSA-N 429.498 2.053 30 10 IEEE Cc1nn([C@H](C)C(=O)N2CCO[C@H](C#N)C2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 1852645798 BOTOFSIHPZYTCT-VGOFRKELSA-N 447.495 2.233 30 10 IEEE O=C(c1nnn2c1CO[C@H](c1ccccc1)C2)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852996652 PEAPUXCQLDHYEH-ZDUSSCGKSA-N 443.407 2.034 30 10 IEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)OCC(F)(F)F)cc2)c1 1858964321 BQLQWLBCFLGKGA-UHFFFAOYSA-N 441.387 2.465 30 10 IEEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862183006 ZUZYZXJYWSJQMQ-XDHUDOTRSA-N 441.528 2.312 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(OC)c2)cn1CCCO 1870653233 YPVIAXCOFPSPHQ-UHFFFAOYSA-N 441.528 2.431 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870729902 ONQPHJILXKJDSI-UHFFFAOYSA-N 438.528 2.024 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871693596 HDHFDTVMGOEMGX-UHFFFAOYSA-N 438.580 2.026 30 10 IEEE CC[C@@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900475614 WVJGHFDOMPNYEN-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2060636891 CZEXIRVQOVXBHT-HNNXBMFYSA-N 432.330 2.408 30 10 IEEE C#CCC[C@@H](NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O 2102887432 TXDRAKJIARQYFS-ZCFIWIBFSA-N 431.127 2.418 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229100537 BVLYPZOFPQYPOJ-HOTGVXAUSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2247832458 POMNNKUSZNPVDJ-GFCCVEGCSA-N 439.343 2.113 30 10 IEEE C[C@H](COCc1ccccc1)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247951328 IJDZTGQWSQAJTN-MRXNPFEDSA-N 432.351 2.264 30 10 IEEE C#CCN1CCN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2248461727 XLSFQHARBJFHKM-UHFFFAOYSA-N 427.545 2.218 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](O)C1 2254790868 DIIGQHXGISEUNX-LSDHHAIUSA-N 437.321 2.302 30 10 IEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255843883 NIULIQRIXMEGLQ-CHWSQXEVSA-N 449.382 2.380 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2255873314 JJPBOXZONBKVFR-JKSUJKDBSA-N 431.342 2.158 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256620850 NRZLQEMYZXLNBD-VIKVFOODSA-N 449.382 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267110114 ZGIXJTNGUOKNGX-HSZRJFAPSA-N 446.353 2.088 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267137324 PQOWLYFCOODQFK-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267137919 UOXUDOBSIBHAAI-VQIMIIECSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267143971 PYZNCDVXUPMHBK-AWEZNQCLSA-N 446.357 2.038 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2267145670 IABJSGUJFHPTJS-DOTOQJQBSA-N 446.307 2.204 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2267163505 HPDGBXWZOQUJAG-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267180597 GOUCUNDGXMRLRU-UHFFFAOYSA-N 443.353 2.025 30 10 IEEE Cn1cc(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267500012 CCTDBCKOMGIHQG-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)o1 2267592313 LYALAUXCWPQVTA-UHFFFAOYSA-N 445.285 2.041 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)OC1(C)C 2267871252 NFYPNFSEPYUPNZ-LJQANCHMSA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)nn1 2268640118 FMNDDSXZOBLJAH-MRXNPFEDSA-N 447.345 2.139 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2282146768 DMIMZMKPZKDCON-JOCHJYFZSA-N 449.404 2.498 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCOC[C@@H]3F)cc2Cl)OC1(C)C 2282833087 UXVPTDAHYBPKTE-WDEREUQCSA-N 425.740 2.106 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2312856450 QPSNSVDENYPBQV-JLJPHGGASA-N 431.342 2.062 30 10 IEEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 111047870 DRWBMFRPZNTNMU-IBGZPJMESA-N 442.516 2.166 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CO[C@H]3CCCc4ccccc43)CC2)cc1 430111557 SARNUQVTLCFZBZ-QFIPXVFZSA-N 439.537 2.485 30 10 IEEE C[S@@](=O)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1F 446190478 BYPDQRHAOAJQOD-RKIJNSLCSA-N 444.488 2.275 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@@]2(CCOC2)C1 470200657 NJDZXHQAGDXDKD-SFHVURJKSA-N 425.279 2.116 30 10 IEEE CN1C(=O)N(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C(=O)C12CCCCC2 479306768 CQXGCRILEMJKEQ-UHFFFAOYSA-N 437.544 2.258 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1 479604501 UYPIUVFEAVSQQC-LJQANCHMSA-N 446.573 2.456 30 10 IEEE CN1CCN(c2cc(C(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)ccn2)CC1 487674902 LMUUPYIJEXMBER-UHFFFAOYSA-N 441.539 2.216 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)C[C@@H](C)O1 488697381 PITRFIMFRRRSPU-HUUCEWRRSA-N 431.489 2.425 30 10 IEEE O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C(=O)N1CC[C@](O)(C(F)(F)F)C1 494405034 LPYJXXWZLZXTCV-CQSZACIVSA-N 434.264 2.354 30 10 IEEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1 504554554 KRDVAXPVSCVBMY-YWZLYKJASA-N 443.467 2.221 30 10 IEEE CSc1nc(O)c(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)cc1C#N 507802312 BMLHUIBRZSSTOU-CQSZACIVSA-N 447.314 2.457 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(F)c3F)c2=O)CC1 520754095 FZMAGXLPFPXWLJ-UHFFFAOYSA-N 443.519 2.327 30 10 IEEE Cn1nnnc1-c1cccc(S(=O)(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 542054119 KYGGNGOLIWDSSZ-UHFFFAOYSA-N 440.876 2.389 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Cc3ccccc3I)CC2)n1 544835050 UPHMZXFRPOCHKV-UHFFFAOYSA-N 432.265 2.449 30 10 IEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669803214 BAHSTJJCQVXPPT-INIZCTEOSA-N 440.504 2.011 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729672548 UCGTVKKQNLAZBO-UHFFFAOYSA-N 438.512 2.256 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCN1C1CC1 732705568 CGBGTLUMMIPLEO-INIZCTEOSA-N 433.965 2.030 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CCN1C1CC1 732706088 DTYCTLWOJWBHFA-HXUWFJFHSA-N 432.484 2.468 30 10 IEEE C=C(COC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1)C(=O)OCC 734027672 PBULKBORXMIVIX-HNNXBMFYSA-N 447.513 2.253 30 10 IEEE CN1C(=O)C[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)[C@@H]1c1cccc(Cl)c1 734703468 AWBZTSGOXGDQNF-HKUYNNGSSA-N 431.901 2.377 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCO2)C1=O 741449683 OZOKOOCFYASSGC-PKOBYXMFSA-N 443.573 2.127 30 10 IEEE CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 743917541 HQVQQWKZGAFMHB-ICFOKQHNSA-N 436.921 2.422 30 10 IEEE Cc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1NC(=O)CN1CCCCC1 746173487 GSBGBEYMNBUYRG-FCQUAONHSA-N 439.516 2.274 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 753062166 OVGXIIUYJJKEBH-FCPOPEKUSA-N 449.511 2.209 30 10 IEEE COc1ccc(S(=O)(=O)NCc2cccc(C#N)c2)c(NS(=O)(=O)C(F)F)c1 761516581 BAYRXGMYUATSOR-UHFFFAOYSA-N 431.442 2.010 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cnc1Cl 765145441 IRDWRDVTWRVSSS-UHFFFAOYSA-N 440.912 2.175 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)C[C@H]2CCCC[C@H]21 779256433 LIBWQQWBJJQRMS-NXHRZFHOSA-N 447.557 2.464 30 10 IEEE C#CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 780905561 SZYZWPIVWOJLHZ-RBBKRZOGSA-N 427.522 2.338 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)c1 782692328 DNGFINNXZUUKLE-HDICACEKSA-N 447.557 2.212 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1C#N 788535829 GOZORBRNPYOCGB-UHFFFAOYSA-N 442.523 2.346 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1 790105917 HRKZWOKZAYXJNE-FUHWJXTLSA-N 434.537 2.252 30 10 IEEE C=CC[C@]1(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790763148 GLGOZCBEPVTIEY-GQIGUUNPSA-N 429.583 2.166 30 10 IEEE CCn1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)cn1 795184970 ZKRUAHVJMMRTSG-INIZCTEOSA-N 434.591 2.164 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 796096211 AWTJQWFZLWVLLR-IBGZPJMESA-N 438.546 2.000 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)[C@H](c2cccnc2)C1 800167137 AWPRTBUCGNRNGA-KRWDZBQOSA-N 429.502 2.331 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 804190285 TWFYZHMWUIGMJV-OXJNMPFZSA-N 429.583 2.215 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@](C)(CO)c2ccc(O)cc2)c1 808819087 HLRWYVXBJGSRJH-GHIWRQRASA-N 446.529 2.234 30 10 IEEE COc1c(Br)ccc(F)c1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1128138114 DHWZFRSZVPZZPH-UHFFFAOYSA-N 436.285 2.473 30 10 IEEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 1134490467 ODDGSSWMJOVIEU-CKJXQJPGSA-N 435.546 2.116 30 10 IEEE C=CCC[C@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1140627282 RJYVXGYOTQPZNX-CTNGQTDRSA-N 432.517 2.385 30 10 IEEE N#Cc1ccc(F)c(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 1206054758 DDYQHZKPJYLHRD-INIZCTEOSA-N 425.468 2.114 30 10 IEEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 1226636784 LCDTWTKWTUSFNQ-CHWSQXEVSA-N 445.335 2.314 30 10 IEEE Cn1ncc(I)c1CN1CCN(c2ccc(C#N)cc2F)CC1 1234994322 OSIMBKKPVXZVPC-UHFFFAOYSA-N 425.249 2.358 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)NC1CC1 1286381379 MGYNBFUBIFQPJZ-WOVMCDHWSA-N 430.553 2.177 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286386653 FJOXIKOTTNTFKF-QGZVFWFLSA-N 443.504 2.096 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286390525 AODIBYVOIQNDDZ-IBGZPJMESA-N 430.578 2.158 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1286477215 SCHLVSWSOIPVKA-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(CC)(CC)OC)CC1 1286491140 GWFKCUXFMNDJBU-UHFFFAOYSA-N 438.576 2.435 30 10 IEEE C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286585175 WTIRQHNKGFJZRV-OAGGEKHMSA-N 439.582 2.104 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286671905 BIXFGKGDQOMFIH-IRXDYDNUSA-N 449.621 2.278 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOCC1(C)C 1291524664 QTAGIVFHBUIAKN-MRXNPFEDSA-N 439.564 2.437 30 10 IEEE C=CCOC[C@@H](NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1)C(=O)OC 1297030544 WGXDQHJRGZGQGX-LJQANCHMSA-N 432.517 2.169 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCc2n[nH]c(C)n2)c1 1300333308 ZBTGNKGIIMFJHU-UHFFFAOYSA-N 441.499 2.066 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1300368589 YKURUNUOXHOPPQ-HXUWFJFHSA-N 425.533 2.022 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300486999 CWHANHURPNJJPQ-QGZVFWFLSA-N 442.570 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cc(C(C)(C)C)no1 1300520405 JEVKLXTUKGISCJ-UHFFFAOYSA-N 441.499 2.327 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1scnc1C 1300648019 CYWDHOXBTCCXIT-UHFFFAOYSA-N 425.518 2.019 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(OC)CCOC2)CC1 1300707787 JPSRPNFORVSGIG-XMMPIXPASA-N 439.560 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nc(C)cs2)CC1 1300725485 AJYPPAMIVIDNMB-UHFFFAOYSA-N 435.557 2.043 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NCC)CC1 1300766164 VIXIOULWFPQNPQ-UHFFFAOYSA-N 448.543 2.365 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300843191 DDMZLIWUWZFAAO-UHFFFAOYSA-N 425.375 2.101 30 10 IEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1300843921 HXXYLYLCTLGGPW-ZDUSSCGKSA-N 445.321 2.326 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)OC 1301029274 DXGRVUJSCYDVNA-QFBILLFUSA-N 429.521 2.394 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1301351508 UXVLLLWINIBWKC-ZWKOTPCHSA-N 440.523 2.476 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1301479088 SJQVFKCNPGHVDH-UHFFFAOYSA-N 443.548 2.335 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301482742 ZIGKPZFLLUAQQH-HIAAXKJVSA-N 443.523 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1301490803 DVTRRNKMUCSFHJ-UHFFFAOYSA-N 443.552 2.459 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)C1 1301558222 UGAWRSLEEXEYAA-OWCLPIDISA-N 430.521 2.397 30 10 IEEE COCCN1C[C@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1301861974 BSWPLYZUXICZQF-AUSIDOKSSA-N 440.523 2.000 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1302947638 NPFKSUSFIKCSNQ-QGZVFWFLSA-N 431.491 2.494 30 10 IEEE Cn1cc([C@@H]2CCCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)nn1 1305206164 AKUKDLROLMKBEA-GKVAYGERSA-N 428.537 2.308 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1309325611 DUPOQJBYSPSFHB-SFHVURJKSA-N 440.521 2.491 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(C)CC1 1316202718 DAKFREMRICQNON-KRWDZBQOSA-N 442.568 2.042 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1C[C@@H]1C 1316205488 PRRJQPDCOQQUFS-SCTDSRPQSA-N 425.537 2.251 30 10 IEEE CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CCN(C)CC1 1316398897 HSAQMCGWTCWUFQ-INIZCTEOSA-N 442.593 2.349 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2cccc(C(F)(F)F)n2)cc1 1316529209 BTPUQHQKVAEBGF-UHFFFAOYSA-N 427.390 2.215 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)COCc2ccccc2)CC1 1359034169 GJEDGMSZVAZCPA-FQEVSTJZSA-N 433.560 2.287 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1359035036 JEIUXZLLWYMLEH-IBGZPJMESA-N 427.524 2.318 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1359039705 SDSPVKRJUPAWOB-UHFFFAOYSA-N 444.580 2.137 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(OC)C1 1359052968 WRLGPTOTZGXGQY-NRFANRHFSA-N 438.561 2.293 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1359207787 XNRJKUKKCVCXOM-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1359272385 QTYCLNFKJPMIJO-GOSISDBHSA-N 431.562 2.307 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359328430 DCYILKJWBFVINU-LJQANCHMSA-N 445.589 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359335340 IQPIRAHOGGJXPU-UWJYYQICSA-N 440.610 2.403 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1359649756 UOLRZIMREHLDNG-HSZRJFAPSA-N 432.532 2.340 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1360478049 FDECLHGEWRNCIU-YLJYHZDGSA-N 426.521 2.251 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1440422596 LRIOUPKXEFJVSQ-UHFFFAOYSA-N 429.322 2.135 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cnc(Br)s3)C2=O)cc1 1449404380 BSQWZJAKPWRZTF-ZDUSSCGKSA-N 448.302 2.299 30 10 IEEE CC1(C)OB(C2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)OC1(C)C 1455327529 ODIFOTGRLFYOPZ-OLZOCXBDSA-N 425.278 2.294 30 10 IEEE CSCC[C@H](NC(N)=O)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456597390 WJUQKQUBTQVZOR-PRJMDXOYSA-N 443.360 2.406 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 1463729929 OCVVYDGDDWBJSC-GUDVDZBRSA-N 432.546 2.275 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)cs1 1504652902 CVJQVPLFHCWZEV-CYBMUJFWSA-N 425.518 2.168 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1507538031 KESLLZQLIMQDML-SJORKVTESA-N 433.553 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(COC)CCOCC1 1507661420 VCPZOGONYRQESC-XMMPIXPASA-N 444.576 2.225 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1507687711 RSXGDPZBWLGKNP-UHFFFAOYSA-N 426.521 2.258 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1507700197 OJZCJTDENXTLTC-IBGZPJMESA-N 447.474 2.107 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCCC2)CC1 1507716272 PMYMEMXLMUWDIM-UHFFFAOYSA-N 437.548 2.030 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCC(F)F)CC1 1507729678 JVKNIXPTILCIOB-LJQANCHMSA-N 447.486 2.218 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1507852546 BCVCWLFFUBHNMH-ZIAGYGMSSA-N 425.942 2.428 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)C[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1508148514 IRHXPQPFVQOZAE-FUHIMQAGSA-N 426.583 2.013 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)CC2)c(F)c1 1521094229 CCLKCTXBIXRIER-UHFFFAOYSA-N 439.495 2.010 30 10 IEEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1524653314 RFKPDUKJLRYNED-UHFFFAOYSA-N 439.415 2.131 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](OC)[C@H]1CCOC1 1528300338 FZNDNDMLMULLLJ-XJKSGUPXSA-N 427.295 2.266 30 10 IEEE CN1Cc2ccccc2[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1532370561 VFTIVRJYFKPTOX-JOCHJYFZSA-N 438.553 2.262 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539076914 XRXZFKBUZHOWJT-KRWDZBQOSA-N 433.553 2.282 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539142817 VORYAIGQXCGJID-RCCFBDPRSA-N 437.610 2.128 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539221336 ZXANHEXXNRPWBD-LEWJYISDSA-N 443.617 2.406 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1539499129 FFKCDCSZRNPJLT-GOSISDBHSA-N 440.529 2.421 30 10 IEEE COc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1S(=O)(=O)N(C)C 1539535361 GNSVJXBJLLSIIE-UHFFFAOYSA-N 443.525 2.253 30 10 IEEE Cc1nsc(NC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)c1C#N 1539664713 ILIRJNQUOOKCTC-UHFFFAOYSA-N 428.536 2.076 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539924055 MFZUJMUVVKQPAL-SFHVURJKSA-N 432.594 2.384 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539926520 PFSZJMYWJSNJQA-INIZCTEOSA-N 429.525 2.272 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CCc2ccccc2)C1 1541112040 DPMPIRMRSWRBFM-HLAWJBBLSA-N 435.576 2.390 30 10 IEEE CC[C@]1(C)CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1546072442 FKWCWTYDGVXLAZ-FMZSFSCUSA-N 428.537 2.325 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1554320099 HFNRRHKXDMCWNT-FQEVSTJZSA-N 449.602 2.495 30 10 IEEE COc1ccc(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1554884768 GNYBOIDWDNCAGK-WMZOPIPTSA-N 449.515 2.360 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cn2ccccc2n1 1555637940 YUXNIWXTDQCQPD-IERDGZPVSA-N 427.484 2.334 30 10 IEEE C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1557243793 XZAIYYSNPDPOGJ-DBVUQKKJSA-N 430.549 2.459 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(Cc3cccc(Br)c3)C2)cc1 1557785614 KOCJBGAPPYOXMR-UHFFFAOYSA-N 448.342 2.300 30 10 IEEE COCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CCN(C)CC1 1560055785 NAVKDJZPWGEBFR-UHFFFAOYSA-N 425.495 2.463 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 1560140372 OJWJQRPQYCXQGI-AUSIDOKSSA-N 426.517 2.375 30 10 IEEE N#CC1(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)CCC1 1564947626 UOOOYAXFNIWVOB-AWEZNQCLSA-N 438.269 2.168 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)nn1 1564958297 MRNVKOYNJVDNGX-SFHVURJKSA-N 427.509 2.363 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)n1 1586564289 ASWAMRWZAZELJZ-UHFFFAOYSA-N 426.408 2.038 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3ccsc3C#N)CC2)cs1)C(N)=O 1587275843 YNDIMVPJRSSUON-CQSZACIVSA-N 435.600 2.324 30 10 IEEE C[C@@H]1CN(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)O1 1587799072 XCVHYMOLIAVMEN-HUUCEWRRSA-N 435.366 2.372 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1587834721 DRHVHJMKUHFZKH-HOTGVXAUSA-N 432.546 2.388 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(O)cc1 1587989268 IAWCYEWJYZNPET-SFHVURJKSA-N 427.505 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588210293 HNPIUOUZCOBKOS-IBGZPJMESA-N 443.559 2.247 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](OC)C2CC2)CC1 1588780699 VTFYQATULPTTHF-NRFANRHFSA-N 425.533 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1589208204 XLWQZGXZZYIBKV-JXALWOEJSA-N 442.608 2.358 30 10 IEEE C=CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1594775667 VYDIKHYHASOXQE-RTWAWAEBSA-N 438.594 2.300 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1595723187 SQNJBMAVVFIFFJ-BHIFYINESA-N 446.640 2.227 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(F)c2)C1 1595743447 APHDLGANCDGDRP-LJQANCHMSA-N 429.496 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CCOC2)C1 1595812668 YOMTXESSJFAKMN-NRFANRHFSA-N 434.537 2.226 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595850819 UOPQLEKUOLEHFX-MRXNPFEDSA-N 437.547 2.396 30 10 IEEE CC[C@H](C#N)N(CC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1611393559 FJMXOYWHIIURBA-LLVKDONJSA-N 449.314 2.306 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613248611 YQVVUULNHYKKPU-QQMHEVNUSA-N 429.569 2.285 30 10 IEEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1620283051 DYVKNPBHQFRGAQ-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1I 1623734223 LUXJXTQMWAKURX-UHFFFAOYSA-N 439.232 2.296 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)s1 1625747409 MCWFFTDEKAURTH-CYBMUJFWSA-N 437.543 2.367 30 10 IEEE CCCN(C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)c1snc(C)c1C#N 1626415505 GZZHPJOWRXRBKC-UHFFFAOYSA-N 425.518 2.457 30 10 IEEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)c1ccc(Cl)cc1F 1635191966 SNCIURMMDRQPIP-FSBGKCOPSA-N 430.910 2.059 30 10 IEEE N#Cc1cn(C2CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C2)c(=O)nc1O 1636967866 WORSBPSVQQSERH-UHFFFAOYSA-N 441.332 2.440 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC(C)(C)S(C)(=O)=O)C2)C1 1638185419 USCHRCJMMNCKIK-CHWWFWEZSA-N 427.567 2.103 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](CO)CC3CCOCC3)C2)C1 1639748202 ILKPEJJOSCCRDB-NUXKCHKQSA-N 435.565 2.315 30 10 IEEE CC(C)(C)OC(=O)N1Cc2sc(C(=O)N[C@@H]3CCN(O)C3=O)c(Br)c2C1 1641379130 OWJQBMIQYRYKHM-SECBINFHSA-N 446.323 2.481 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@H](CO)OC(C)(C)C1 1643159982 DVSXLXPZDUJAPE-IEBWSBKVSA-N 429.517 2.391 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1[C@H](O)c1ccccc1 1644025464 GVKCWVDQBCEGIE-ZLGUVYLKSA-N 427.526 2.340 30 10 IEEE CN(C)C(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1644666090 TWLIJAAGYJVODR-ZWKOTPCHSA-N 441.576 2.156 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)[C@@H]2CC2CCCCC2)CC1 1653926963 CYMLMRLKIIGIDC-VQTJNVASSA-N 443.617 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 1655557665 GNJFJMVMXRCCOH-SJORKVTESA-N 427.567 2.404 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)Cc2ncsc2Br)c1 1661491104 ZMCHZIWZEFXFQW-UHFFFAOYSA-N 428.333 2.287 30 10 IEEE C#CC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 1685568555 LGHZNIWFYCKDPA-UHFFFAOYSA-N 431.489 2.296 30 10 IEEE COc1ncc(Br)cc1CNC(=O)N1CCN(c2cnccc2C#N)CC1 1687082409 LHVAQPYXFXJUQT-UHFFFAOYSA-N 431.294 2.151 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)CC)c1 1689871831 GKXVLWZMJDOYFL-UHFFFAOYSA-N 445.589 2.358 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1689885408 HVIGCZJJSTWDCZ-GOSISDBHSA-N 443.552 2.212 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1689930254 NQSOKSRJHQQSPP-ICSRJNTNSA-N 439.564 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(CC)cc1)N(C)C 1690025261 KARYBHNLTMJLOP-JOCHJYFZSA-N 432.572 2.339 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CC)CCOCC2)CC1 1690131916 AFFBRIPKDSPRCO-UHFFFAOYSA-N 425.581 2.102 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnn(C)c2C)CC1 1690132683 WIOWZKGFVXZHJJ-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCn2nc(C)nc2C1 1690185259 VZAVGKVMNHVRRL-UHFFFAOYSA-N 439.545 2.152 30 10 IEEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690477778 HEFJNMRLYOICAE-SFHVURJKSA-N 431.504 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1690722204 AYOTXGBCGGDUSL-JOCHJYFZSA-N 441.557 2.280 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1691006583 OAJRUESVCRRGPM-CQSZACIVSA-N 426.912 2.329 30 10 IEEE CC(C)OCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1692609080 XYVVBPORQJBZKM-GOSISDBHSA-N 446.939 2.405 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1692661520 DYHZEOARHNVSGZ-FUHWJXTLSA-N 430.578 2.227 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705566381 NGKBZBVZBUNUOI-RBUKOAKNSA-N 432.521 2.334 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCC1CCN(CC(F)(F)F)CC1 1705571673 FJDBJKAHUVUELK-UHFFFAOYSA-N 438.498 2.154 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2-n2nc(C)cc2C)CC1 1705642887 KOLOZRYDWPORDC-UHFFFAOYSA-N 433.560 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2-n2cccn2)CC1 1705643821 BANCSGBRKAAHMA-UHFFFAOYSA-N 446.559 2.170 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1705669701 UAAZKJJKCJUXQZ-DHIUTWEWSA-N 445.564 2.401 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705748561 SJRYXTKXGRUTSH-QGZVFWFLSA-N 444.923 2.473 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1705778061 ZMGUEIGWDSHQHK-UHFFFAOYSA-N 426.546 2.255 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705931651 WPXWRIZECARLQI-ZWKOTPCHSA-N 442.589 2.336 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1706058840 NYKCHJXXKPTHEY-UHFFFAOYSA-N 432.532 2.460 30 10 IEEE CCO[C@@]1(c2nnc(N(CCO)Cc3ccccc3)n2Cc2ccc(C#N)o2)CCOC1 1710440785 RVMXPVXEMVELNJ-QHCPKHFHSA-N 437.500 2.442 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCn1nc(C)cc1C 1710731827 HOAWZCOIUPAJSF-UHFFFAOYSA-N 449.563 2.312 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCS(=O)(=O)C1 1711967389 GFYDANASRZKUSI-SJORKVTESA-N 431.562 2.298 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN(C)C(C)C 1722279616 HVFGIVKZXAHTBT-GOSISDBHSA-N 446.621 2.384 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1722341785 MJTJJMXEWWCAEB-PMACEKPBSA-N 435.532 2.009 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1722368776 VZNLWXCPERRGLZ-HXUWFJFHSA-N 430.574 2.298 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCC)nc1 1722371125 SSXYMQGEHBTNKB-UHFFFAOYSA-N 429.484 2.230 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722372155 QKIPKMXRDSBLAE-HXUWFJFHSA-N 442.585 2.417 30 10 IEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1722372495 XWODVGOLBVVMKK-SFHVURJKSA-N 441.557 2.013 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCC[C@H](O)C1 1722427458 VNRNLNBZXOXXJI-LQWHRVPQSA-N 426.517 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1722428199 XIZLQBANCJRILK-CVDCTZTESA-N 428.533 2.100 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1722537764 QKHDRFSIPRRQEO-SFHVURJKSA-N 446.573 2.344 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722617822 MUYTZXPXSOEOJJ-NJDAHSKKSA-N 444.624 2.375 30 10 IEEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1722622257 KLWOQJFKBHIBPF-IRXDYDNUSA-N 444.511 2.364 30 10 IEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722687762 GYENXOYLENNVRM-UHFFFAOYSA-N 440.548 2.234 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1729637091 FPLAJMREPGAENY-OXJNMPFZSA-N 430.459 2.203 30 10 IEEE COc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)cn1 1730167293 ZMEMVXBXQBEUMX-OAHLLOKOSA-N 426.427 2.328 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1740631970 NTOJKVXIUOQUOS-XMMPIXPASA-N 445.527 2.021 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1740659958 AVMJYDLNRIMYGB-WJOKGBTCSA-N 436.541 2.312 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCS(C)(=O)=O 1740678533 DYCHLEWBJRFPSQ-UHFFFAOYSA-N 427.505 2.087 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1740724926 DZDUAUZSMAGHAL-AGILITTLSA-N 445.608 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1740730791 IIFDQKZOYNPKDS-XMSQKQJNSA-N 441.557 2.179 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2)C1 1740961975 OFRCKDCFFHENQN-FQEVSTJZSA-N 438.576 2.244 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)C1 1740973259 TXHBQAXFQABDTJ-XMSQKQJNSA-N 429.521 2.163 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN2CCN(C)C(C)(C)C2)C1 1740976198 HFTLQOGJXQGAFC-FQEVSTJZSA-N 425.581 2.147 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1748549917 RMDYTHLNPWDFMO-LBPRGKRZSA-N 426.864 2.432 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1748713923 VSGVNXVWTCSPKM-UHFFFAOYSA-N 435.507 2.470 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C)C(C)(C)C1 1748765571 LRHOPJHLFWBMTQ-UHFFFAOYSA-N 437.592 2.243 30 10 IEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1749022154 GDECLELWPWKTHY-INIZCTEOSA-N 446.552 2.385 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@H]1C 1749219531 LFODZQJTRMLNRV-MRXNPFEDSA-N 426.550 2.455 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CCC2)CC1 1749312604 PFINWPZDIQRPOZ-UHFFFAOYSA-N 449.602 2.393 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 1749354368 OOSUQJUSKLPNQM-KRWDZBQOSA-N 426.631 2.269 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749671438 AOQCJQDLQVLFQR-RBUKOAKNSA-N 445.951 2.209 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1749911709 IQCVUJLANMHUGY-GPMSIDNRSA-N 442.520 2.010 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760190608 XVNPJVGEHDGJRQ-QRVBRYPASA-N 443.573 2.090 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccccc2F)CC1 1760262282 WNGAMCWQFYMONX-UHFFFAOYSA-N 426.540 2.191 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1760421451 PEOOECDIXKLBGQ-UHFFFAOYSA-N 425.493 2.361 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1761284494 RHRPWVRVSZOEKA-FCHUYYIVSA-N 448.543 2.163 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1764823010 CUBLIVSEILLSBT-CQSZACIVSA-N 443.451 2.304 30 10 IEEE CCCNC(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1766238227 LVDMDVNESMZRQF-QFIPXVFZSA-N 432.569 2.365 30 10 IEEE CN(C)C(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CCCC1 1766845767 DBJFAGVYZBHFQE-UHFFFAOYSA-N 441.580 2.179 30 10 IEEE CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1767050066 UQUMIWGVKFKLEL-UHFFFAOYSA-N 445.936 2.051 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1767185461 LMDXINUMQXRZFH-VLGSPTGOSA-N 431.447 2.281 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(C#N)C1 1768517712 CBWHWULGUULLAO-HSZRJFAPSA-N 440.548 2.425 30 10 IEEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCOCCS(C)(=O)=O)c1 1768794949 VGTMRJXNFRBVFX-UHFFFAOYSA-N 447.561 2.145 30 10 IEEE CO[C@H](Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1769670334 QPTRRQQBSPQCRI-HXUWFJFHSA-N 433.516 2.470 30 10 IEEE COC[C@@H](Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1770782913 QSIBHLSVIIVSOA-MWDXBVQZSA-N 436.557 2.306 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)c1 1849198865 BCMLDAGZNSYERX-OAQYLSRUSA-N 442.516 2.199 30 10 IEEE N#Cc1c(NC(=O)CN2CCN(c3cc(-n4cccc4)ncn3)CC2)sc2c1CCC2 1849694818 HDKORFCGRABCLK-UHFFFAOYSA-N 433.541 2.450 30 10 IEEE N#Cc1cc(Br)cnc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1851758370 KEGOZCWNEJODRF-LLVKDONJSA-N 429.230 2.436 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)c1C#N 1852018943 JCSJIFYURLTAFD-HNNXBMFYSA-N 437.353 2.187 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@H](CSc3cccc4cccnc34)OCC2=O)CC1=O 1854935027 LFNJKJLIFUHZTQ-IAGOWNOFSA-N 425.510 2.115 30 10 IEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc(OC)c(O)c(OC)c1 1865626686 XZYJZGKQPRVFKL-GOSISDBHSA-N 440.500 2.347 30 10 IEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1 1865722961 DVBTVOSNHSUSTF-QGZVFWFLSA-N 440.544 2.255 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866595732 YZYQJURQKHNDCU-IBGZPJMESA-N 436.493 2.252 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 1866736576 RUORYVRNBSFZSD-WOJBJXKFSA-N 435.480 2.329 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1 1874338219 SYWBLGMSEZQYEP-LKKXKRCMSA-N 431.518 2.158 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)=C[C@H]1O 2068906912 DGLMMGMZFBKTNR-DLBZAZTESA-N 434.342 2.361 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124541373 RXJALEIDGLQOCG-SFHVURJKSA-N 445.369 2.475 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cncc(C#N)c1 2195271223 FWKOCFGXIBHLTG-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE NC(=NO)c1cc(Br)cn(C[C@H]2CC2(Br)Br)c1=O 2217992905 SZVLJXMMAXJEQM-RXMQYKEDSA-N 443.921 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2224130829 NRTRBCOQXYMNAE-IAGOWNOFSA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)C1 2232319022 RQJPGUJDXIXSMA-QFIPXVFZSA-N 447.341 2.015 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247834347 UOQRYDSOURRBBU-MPBGBICISA-N 435.355 2.182 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247927214 FHNOMQUULDIQJE-WDEREUQCSA-N 430.257 2.035 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255860287 AJMMFZNKFUPLBD-IBGZPJMESA-N 426.244 2.269 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2264618929 SHCNUGXQVLMSPU-JKSUJKDBSA-N 447.341 2.080 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267096951 MGBHJPOJWFFPJD-JLCFBVMHSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267136330 JEZUWDBKCVPRJR-CQSZACIVSA-N 446.357 2.038 30 10 IEEE Cc1c(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267511067 WPTDEEQMHIQONM-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2267516746 IJGYWOWDHSUPIQ-APWZRJJASA-N 438.381 2.421 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267546804 BMSTUXDNPSFZDA-LSDHHAIUSA-N 446.357 2.246 30 10 IEEE C[C@H](O)CN(CCNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267579929 ACOYUMCKRCBFCO-INIZCTEOSA-N 448.369 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267584150 BSWVNDIUASARMA-UHFFFAOYSA-N 446.353 2.088 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267620959 PWGMCMVQCGWKLE-QZTJIDSGSA-N 446.353 2.398 30 10 IEEE Cc1cc(CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273862144 OPLPTMRTLTVXCY-QGZVFWFLSA-N 448.369 2.044 30 10 IEEE COc1cc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)ccc1OC(C)=O 2332190465 QBFWIZQYQSUETK-UHFFFAOYSA-N 447.407 2.453 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)n1C 2337329498 CUCLWHKEHUGQHH-HOYKHHGWSA-N 436.365 2.032 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 103117735 BQDMFRTUBXPGJS-HQMFNGAOSA-N 442.424 2.034 30 10 IEEE COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)[C@@H](C)n3cnc(C#N)n3)c2C)c1 409906309 OQBQIAKGYCMGKK-APWZRJJASA-N 435.488 2.122 30 10 IEEE CNC(=O)C[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1ccccc1 431097890 NWVSOOLKSWEPTC-OAQYLSRUSA-N 445.527 2.435 30 10 IEEE CSCC[C@@H](C(=O)NCCOc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 460272043 UGSWEQYMSKDORW-OTWHNJEPSA-N 429.542 2.350 30 10 IEEE COc1cc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)ncn1 461351709 JKGUVASBBOXESD-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)cc2Cl)cc1 476466295 BEHGCMFSGGHILP-AWEZNQCLSA-N 427.848 2.212 30 10 IEEE N#CC1(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CCN(Cc2ccccc2)CC1 479251867 VSPAGNJZHLCGIE-OAQYLSRUSA-N 430.508 2.180 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2)o1 489293628 YVFBBQSHDDFFRS-HXUWFJFHSA-N 445.479 2.328 30 10 IEEE COc1ccc([C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)N2CCOCC2)cc1 502551808 ACDMMWPUKLGUFM-WMZHIEFXSA-N 431.533 2.446 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1Cl 515737557 RHJJZFZDKGOKGM-UHFFFAOYSA-N 437.880 2.263 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2OCC2CC2)c1=O 516829031 COHZWQQHBJGJOL-UHFFFAOYSA-N 449.576 2.446 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)CC)cc1 521607064 OAFWHQNVVUFMQH-WMLDXEAASA-N 425.576 2.379 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 523255013 BGDRGRQXCCUZKS-KGLIPLIRSA-N 432.492 2.485 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(C(N)=O)cc2)c1=O 523256710 RHYFQIDTPYZHHC-UHFFFAOYSA-N 449.557 2.240 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccc3OC)c2=O)cn1 524235352 ZHJALOCEAOXIGH-UHFFFAOYSA-N 447.516 2.183 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1-c1ccc(F)cc1 541863720 DFTFOKPUDQMMLW-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)CC1 555271245 YYYZPWJXMVAVJH-UHFFFAOYSA-N 430.578 2.056 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C 579042632 QYRWTYIFYXMXKL-QRFRQXIXSA-N 430.516 2.437 30 10 IEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670211072 UWXCUCKUEIAPAL-PXNSSMCTSA-N 428.606 2.495 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3cccnc23)c1=O 725763472 MMYLAPCVDINZML-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE C#CCN(CCCOc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 731213655 LGHFSUSZVBIOQN-HNNXBMFYSA-N 433.311 2.182 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 747376607 ZOIGDNMBQIHXIV-FQMKLWGBSA-N 438.575 2.140 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCN1C1CC1 756697758 TVVJPZYUBJKJHP-MSOLQXFVSA-N 431.334 2.139 30 10 IEEE C[C@H](CC(=O)NCc1ncc(-c2ccccc2)cn1)/N=C1/NS(=O)(=O)c2ccccc21 763791534 UUZQVNXJRFZVHX-OAHLLOKOSA-N 435.509 2.277 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)ccc1F 766163761 WZFVEWPPIUXXAL-HNNXBMFYSA-N 426.510 2.484 30 10 IEEE C#CCN1CCN(C(=O)CN[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CC1 768740632 CQHYBHKSDOMVJS-NRFANRHFSA-N 433.478 2.460 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1C#N 774917016 IZNBKXVAFFCTNH-HXUWFJFHSA-N 436.512 2.145 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CCCC#N)C[C@@H]2CCCC[C@H]21 779255729 HMMYWIMWYBHIPK-JQHSSLGASA-N 433.530 2.218 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnc(C)s2)c1 779745379 MLJULXDWNGWYNU-MRXNPFEDSA-N 446.602 2.355 30 10 IEEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)CC2)cc1 781495257 GZYARXSNGFBNTA-UHFFFAOYSA-N 439.493 2.057 30 10 IEEE C#CCOCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 782981381 PNCKKTXZUXITMH-HNNXBMFYSA-N 438.431 2.208 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1 783211721 KXSDBPFIUNNKQB-JKSUJKDBSA-N 440.493 2.102 30 10 IEEE CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784973827 FHYURLDHEBZCFD-JJXNMMKVSA-N 432.546 2.253 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n1 789151628 WBTBGGHMRAIEDA-MRXNPFEDSA-N 447.898 2.272 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)CO)ccc1Cl 801973773 RUXFICFKGRAVAC-FQEVSTJZSA-N 438.933 2.194 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1)c1ccc(Cl)cc1 810469844 GNJNTUQUWLVTAD-GOSISDBHSA-N 433.917 2.458 30 10 IEEE C#CCN(c1nnc([C@H]2Cc3ccccc3O2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812202288 AMIVQFGRBQSLMR-AZUAARDMSA-N 444.557 2.008 30 10 IEEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812434658 WAZSPOXTHIYXAJ-ROUUACIJSA-N 432.546 2.351 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)cc1F 813679286 QEWPCVXUBNCWHH-CYBMUJFWSA-N 441.481 2.054 30 10 IEEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1)C1CC1 814703153 ITGPRWMZWIIVRK-MSOLQXFVSA-N 436.553 2.250 30 10 IEEE CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 853722769 OWAKKVIBBIGZMJ-KRWDZBQOSA-N 443.525 2.205 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H]2CCOC2)CCN1C1CC1 1119042996 YJVHEHBKOMEZEG-PGRDOPGGSA-N 444.543 2.344 30 10 IEEE C#CCN(C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C1CCN(C)CC1 1134042732 AQGNZJGKRIIIJM-GOSISDBHSA-N 430.553 2.020 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)cc1 1141017870 ZEXQKTZVBGZKQS-UHFFFAOYSA-N 429.429 2.125 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H](c2cncn2C)N(C)C)c1 1141878040 KSRGCDVAGMISOP-UNJZAIIMSA-N 446.577 2.255 30 10 IEEE N#CCN1CCN(C(=O)Cc2cc(Br)cc(I)c2)CC1 1147283420 JCAHPDYWXDIBGF-UHFFFAOYSA-N 448.102 2.264 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC[C@H]1c1ccc(Br)cc1)c1cc[nH]n1 1148554516 WNRQQGUEERYWEC-HNNXBMFYSA-N 435.278 2.430 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN(C)c1ccccn1 1153114044 OYMWVWZPEOVQRG-SFHVURJKSA-N 443.573 2.322 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCS[C@H](C(F)(F)F)C3)CC2)cc1 1177953259 IOSJFCNFLGJRLQ-INIZCTEOSA-N 447.504 2.465 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)c1ccccc1 1230489471 QNLKDXXEZQSGAM-SFHVURJKSA-N 442.497 2.204 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC(O)CC1 1286271994 XQWBYHBEXUDIBP-IBGZPJMESA-N 438.576 2.452 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1286314200 APSLBEVDTFFHPA-OAHLLOKOSA-N 447.337 2.490 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1286385901 QVNLRPYXWQLKIN-HOTGVXAUSA-N 435.525 2.031 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286608907 VIGXMVBBKGMZHF-RTBURBONSA-N 438.594 2.026 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)NC)CC1 1286612852 LKNALCTUCHCRSI-UHFFFAOYSA-N 442.564 2.474 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286702655 PTYVFHXNNJEEEO-SIKLNZKXSA-N 437.592 2.219 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCCCC1 1286782122 LAMPZPVAAXNSEV-UHFFFAOYSA-N 431.562 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286784278 ZXRQKEZQEYGWOR-WCQYABFASA-N 444.845 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)COCC)C1 1286810014 MVKPODLMMYVUKW-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C)C1 1286818666 ZBOFXDKPSAIKOK-HZPDHXFCSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2CCCO2)CC1 1286822377 JEZKRSUPNWWNIA-HXUWFJFHSA-N 445.589 2.260 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1 1294249106 CHOGQWDAHSWKTQ-HNNXBMFYSA-N 431.367 2.384 30 10 IEEE CCCN1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1294684884 XWAQCORBQLSZMU-INIZCTEOSA-N 446.577 2.004 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1297321163 DHBDJOQKYSAGGI-CQSZACIVSA-N 443.312 2.256 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1299456322 LLUYEPSOWQPMQV-UHFFFAOYSA-N 442.520 2.432 30 10 IEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300366925 SCALTZBSOLCQTC-HXUWFJFHSA-N 434.544 2.454 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300367550 FHVFGDXJQOPLDX-SFHVURJKSA-N 431.587 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1300570812 YSOKXFCPOVOUEQ-UHFFFAOYSA-N 427.512 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1300574792 KOQIOGMZYGAWFE-LJQANCHMSA-N 427.512 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@@H]1OC 1300578582 MUWOPCOFZKGPPO-NYVOZVTQSA-N 436.512 2.305 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CCCCC1 1300664280 PCWDOFVCLAALII-UHFFFAOYSA-N 440.592 2.405 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN1CC 1300664943 WCUCLUIRILNCTG-KRWDZBQOSA-N 435.532 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CC1 1300723609 XRUSSMSGEJOLJN-UHFFFAOYSA-N 429.484 2.127 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1300805475 DVDINIKMCJZJSF-DENIHFKCSA-N 428.558 2.367 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1300863193 KKCDTQYQKYQVPC-CQSZACIVSA-N 433.372 2.442 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301236817 KDZPNQRHCHHIBB-HSZRJFAPSA-N 443.523 2.344 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C)C1CC1 1301326538 BQWVQCJZIWEJRH-HXUWFJFHSA-N 445.589 2.431 30 10 IEEE COCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1302222995 FPRABZYCJDFQCK-OAQYLSRUSA-N 436.516 2.396 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CCO1 1306408871 FIGBCKYKRLPWOY-NRFANRHFSA-N 437.592 2.458 30 10 IEEE C#CCN(C(=O)NCc1cccc(OCC(N)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1312140595 AVJYIKXXWGNVKU-UHFFFAOYSA-N 444.532 2.095 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c1 1313985733 BIIFCKKWUMUPGI-WZONZLPQSA-N 435.532 2.157 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCCO2)C1 1321293750 WRKIDHOLQFSQOB-PMACEKPBSA-N 436.520 2.271 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358925214 XOMQQSZGLIXHIN-OAQYLSRUSA-N 436.560 2.110 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN(C(C)=O)C1 1359019750 FVVUGBGTXSSEMW-SFHVURJKSA-N 440.504 2.198 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1359062597 MWUAIVCZZHKOEY-JOCHJYFZSA-N 426.565 2.155 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOCC)CC1 1359100742 FYJHBNHGQYXTPV-GGAORHGYSA-N 440.592 2.404 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1OC)C1CC1 1359252926 LRUSPDGRYQQOJZ-RDJZCZTQSA-N 431.562 2.476 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(C)c2C)C1 1359323947 ABCBIGFBLHEJGZ-QGZVFWFLSA-N 441.561 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@]2(CC=CCC2)C1 1359326601 FCNHIPOQGSWEOU-OAQYLSRUSA-N 435.594 2.344 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 1435550060 ANTOXIASPXPVCC-YESZJQIVSA-N 428.537 2.469 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 1453838185 ABGOYSBASAKVER-UHFFFAOYSA-N 443.481 2.304 30 10 IEEE CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458002437 MPCCLCWBZIUBGF-QGZVFWFLSA-N 429.498 2.407 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@@H]2NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 1460449079 FQZUJMBBIGIKGD-SLFFLAALSA-N 426.590 2.191 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OCC 1464382117 LLIJPRLWIWNBEM-SFHVURJKSA-N 444.575 2.037 30 10 IEEE C=CCn1cc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)nn1 1469215403 ATNNEVMUSJKVDT-UHFFFAOYSA-N 427.486 2.204 30 10 IEEE Cc1cc(Br)c2[nH]nc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2c1 1470664733 CFXRWRKGQKTGAP-UHFFFAOYSA-N 448.302 2.423 30 10 IEEE C#CCN(Cc1nnc2c(=O)n(C)ccn12)[C@H]1CCOc2ccc(Br)cc21 1473168798 RQZUDNHROKPJGC-HNNXBMFYSA-N 428.290 2.150 30 10 IEEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccnn1C 1473581679 GKFADRRODBETKO-HXUWFJFHSA-N 438.463 2.281 30 10 IEEE C=CC[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)c1ccncc1 1474981910 ATRHCCKTNSPOIY-CYBMUJFWSA-N 438.307 2.491 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc2c1COC2=O 1475678421 MRNRIDGSHPNRDH-UHFFFAOYSA-N 434.514 2.380 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCc4nc(C(F)(F)F)n[nH]4)CC3)n[nH]2)cc1 1478496320 CJKFDVQOTRSXAN-UHFFFAOYSA-N 445.409 2.117 30 10 IEEE C[C@H]1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 1493302848 BNXJRVSLNCPKMM-YPLULLRNSA-N 438.598 2.222 30 10 IEEE CCN(C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1501494345 CUMZEANDRSUJLP-PXNSSMCTSA-N 444.605 2.419 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507590634 FOJFPBHIQFDYNO-ZWKOTPCHSA-N 444.580 2.473 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1507600456 GISXNXFGIVVBKB-GOSISDBHSA-N 444.605 2.242 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)(C)C 1507622926 OVSYUNDBXDHOIK-IYBDPMFKSA-N 432.569 2.423 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507629848 XBAJTWVEXJPVAB-SJLPKXTDSA-N 433.578 2.204 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507638977 UECCNBRMFSHURN-SLFFLAALSA-N 449.621 2.021 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)C1 1508128351 ZLLURRQRPXAADJ-ROUUACIJSA-N 440.504 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508136975 WPOUOXSYYDNTQR-GOSISDBHSA-N 443.573 2.055 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cccc(C)c2)CC1 1508149176 PFBNZFRYADVHEG-UHFFFAOYSA-N 433.578 2.050 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508580087 DXGFQMPQTSIGGU-WUKBZCGHSA-N 428.537 2.010 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1518647300 KCPGBCBOTBTMFM-KNKQGSTJSA-N 433.553 2.110 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CCO1 1518910812 ACXNJKRFOYQINM-HXUWFJFHSA-N 441.532 2.112 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1519185166 RKMMPJKUMQFZPL-VQTJNVASSA-N 428.558 2.449 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 1537430192 ASNFVSWTIGEWRA-YLJYHZDGSA-N 427.482 2.486 30 10 IEEE CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)c1ccc(C#N)nc1 1537999656 YFBGGLDXEWFKTQ-IBGZPJMESA-N 442.273 2.146 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(COC)CCOCC1 1539154504 IICKKMYUTODSPI-UHFFFAOYSA-N 444.532 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1539326677 XXQGMIBYXIAOOM-UHFFFAOYSA-N 427.574 2.220 30 10 IEEE C#CCSCCn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@@]1(OCC)CCOC1 1539530626 KLSYTQSLOGZGAX-LJQANCHMSA-N 438.985 2.320 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1539625111 ZCPWUKMNJNXDDM-FPOVZHCZSA-N 425.533 2.221 30 10 IEEE C=C(C)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539733977 XOQUSBISGHIEHY-JOCHJYFZSA-N 432.569 2.279 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539916884 PKNWVZGIOOSAMU-AEFFLSMTSA-N 448.593 2.094 30 10 IEEE CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 1539992647 HRMGPPIBGVEIMM-UHFFFAOYSA-N 427.534 2.071 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](COCC)C1 1540861875 JSBQDHPMWAQWIM-GOSISDBHSA-N 440.548 2.312 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1N1CCCC1 1540868359 BLUKJMUCXWPUAG-UHFFFAOYSA-N 432.532 2.274 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)C1 1540892001 CTWJQSHAFJFWOJ-LPHOPBHVSA-N 448.545 2.007 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC(C)(C)O1 1545059161 IOMWUVWOKOLXIU-WAIKUNEKSA-N 438.532 2.211 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCCN1CCC[C@H]1CO 1546530915 HECGYKRGYQURBF-NRFANRHFSA-N 437.592 2.276 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1555631338 DPSPBIFWBUHMEN-ZHRRBRCNSA-N 430.553 2.143 30 10 IEEE C=CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1556204804 CZYHJIGXQVWTBT-HXUWFJFHSA-N 430.526 2.066 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCC(CS(C)(=O)=O)CC2)cc1 1562197310 IJKNNYFVTUGBGC-UHFFFAOYSA-N 443.591 2.218 30 10 IEEE COc1cc(Cl)c(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585139130 RFOGKQXCKAMKGI-VFZGTOFNSA-N 433.711 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)NCC2(C#N)CCCCC2)(S(C)(=O)=O)CC1 1587538709 NXENEPRIOFORBD-UHFFFAOYSA-N 427.567 2.391 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587872455 JKHPYGHFRDBAJF-ZJSXRUAMSA-N 448.615 2.466 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@]1(C)OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1588058811 CWVAEJUZHINOEU-MGPUTAFESA-N 434.587 2.017 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCOC2)n1 1588724053 TUUZMICQJZPDHQ-CTNGQTDRSA-N 442.564 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C)c2)CC1 1588924275 YTTTYFQQKNOVQY-UHFFFAOYSA-N 431.544 2.196 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)CCc1ccccc1 1589394421 FLMXCGMQHWYYBO-INIZCTEOSA-N 434.338 2.179 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1594744306 NIQFTKFUBQNLSJ-UHFFFAOYSA-N 443.577 2.001 30 10 IEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1594797939 JQHUZMAAXMJUIF-FQEVSTJZSA-N 436.516 2.037 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC1CC1)C1CCCCC1 1595550662 GTOWYRUDXJECOZ-QGZVFWFLSA-N 435.594 2.032 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1596833001 ZPPNLPVIKQVRRZ-WMZOPIPTSA-N 433.507 2.216 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1611216247 SPEJZWWSNXARBY-UHFFFAOYSA-N 425.510 2.054 30 10 IEEE C[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)COCCO1 1611806869 LZHYXQASEHJLSG-NRFANRHFSA-N 444.561 2.205 30 10 IEEE Cc1c(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)c(O)n(C)c(=O)c1C#N 1614794559 NZDYKZBYJQGGAM-OVCLIPMQSA-N 425.491 2.355 30 10 IEEE CC(C)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1 1615326353 BQOVGLVAYAZIGY-UHFFFAOYSA-N 428.558 2.165 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCO[C@@H](C)C1 1616922552 DIMDSZJNZKVKDI-ZWKOTPCHSA-N 425.537 2.223 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](F)C2)CC1=O 1619938584 BEONRNXDLNCSTC-PKOBYXMFSA-N 426.496 2.250 30 10 IEEE Cn1ccc(-n2c(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)nc3ccccc32)n1 1623600255 MECKHDAFDAZURH-UHFFFAOYSA-N 449.496 2.203 30 10 IEEE C=CCC[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1624303947 OCVSRVPKILQONN-JKSUJKDBSA-N 435.525 2.478 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3COc4ccccc4[C@@H]3O)C2)C1 1628990305 LCCLKAGOINTRFU-ZIVNORJXSA-N 427.501 2.384 30 10 IEEE CCOc1ccc(Br)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1F 1632879958 BHOLBWNSWRUNRG-BMRADRMJSA-N 426.242 2.243 30 10 IEEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1634243788 NQPISVJSXAUDOJ-OAQYLSRUSA-N 443.525 2.261 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 1634780284 AJRYIXSFTUHQCW-UHFFFAOYSA-N 439.877 2.420 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccnc2Cl)ns1 1638841570 XOJAOYLXOASMCC-SNVBAGLBSA-N 448.917 2.431 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)s1 1640792344 LYARCBIJEWSLRZ-KBXCAEBGSA-N 432.011 2.181 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCC[C@@H](CC#N)C2)C1=O 1641296197 HRPISQITVXEGHS-DJJJIMSYSA-N 433.306 2.368 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc(I)c(Br)c1 1641521908 UZWDEYWMVNVKCJ-JTQLQIEISA-N 439.047 2.164 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc(Cc3cccc(Br)c3)n2)c1 1643801748 YAJKSQYXBNUYGT-UHFFFAOYSA-N 439.273 2.356 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)cc1 1645720731 CXASCSYFAXBAPB-OAQYLSRUSA-N 436.487 2.006 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1648004689 BIISZCJBECFOOK-GOSISDBHSA-N 445.541 2.148 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)C(=O)NCCO2)C1CCN(C(=O)OC(C)(C)C)CC1 1651973015 ANUQQHBZMCPSFB-UHFFFAOYSA-N 427.501 2.284 30 10 IEEE COC(=O)c1ccc(N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)c(C#N)n1 1655313609 GAHLHPMMYCRZHD-JOCHJYFZSA-N 433.512 2.053 30 10 IEEE N#Cc1cccc([C@H](O)CN2CCNC(=O)[C@H]2c2ccc(I)cc2)c1 1656363570 FHIBMOQRCQTDGM-QZTJIDSGSA-N 447.276 2.369 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1671788675 DNUVGDUMIOXOCU-INIZCTEOSA-N 433.486 2.010 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)[C@H]1CCCO1 1680314778 WZMBMIULFQNLNP-QILLFSRXSA-N 425.323 2.089 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2cc(C3CCN(C(=O)NCC#CCO)CC3)[nH]n2)CC1 1684876483 BSVIHVMKSSVJDV-UHFFFAOYSA-N 445.564 2.409 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 1686549196 ZDQRPQGQRANMBA-BGYRXZFFSA-N 426.561 2.030 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCc2ccccc2C1 1689998339 JSQKQCMETUIXHJ-UHFFFAOYSA-N 432.572 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1690021527 YWXLLYNPVLTWBL-UHFFFAOYSA-N 433.603 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccccc1F 1690032762 IREKZSFKZQBNMB-KRWDZBQOSA-N 431.537 2.123 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1690085808 GPGYPWUAYQWJPO-IBGZPJMESA-N 432.546 2.293 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NCC 1690103440 CQPMFKKWSXGKCA-IBGZPJMESA-N 441.532 2.039 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1690133483 IYHYJTAFRQZJAK-UHFFFAOYSA-N 434.585 2.217 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1690508792 PPKSFBVNVQBZJZ-LJQANCHMSA-N 445.589 2.229 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1690523710 LWPRBLNDKXRVKU-UHFFFAOYSA-N 433.582 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H]1CCOC1 1690720348 GMATVXDUJDENNZ-QGZVFWFLSA-N 427.530 2.319 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)C1 1690903981 CMCOZDUFBKVAOQ-CVDCTZTESA-N 434.500 2.422 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 1692847954 LHMRWBUCGBPQJT-HNNXBMFYSA-N 434.953 2.407 30 10 IEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)[C@@H]1C 1693882344 CVWDRDZQPMNTGE-CVEARBPZSA-N 449.602 2.494 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1697074476 ASACEGBMIDIXND-INIZCTEOSA-N 432.431 2.129 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)(C)C)CC1 1697707716 FJPWWQFSAXLQHF-IBGZPJMESA-N 440.548 2.173 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2)CC1 1705509245 CXEWGLYLTXSRET-IBGZPJMESA-N 444.605 2.409 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705545054 NPCWJXSWCMOUKE-PGRDOPGGSA-N 444.557 2.146 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1705560721 MVNJASJCLXAOPB-ZIAGYGMSSA-N 426.493 2.058 30 10 IEEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C 1705665464 UPUWJMHFZUWWIE-MRXNPFEDSA-N 447.565 2.430 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705693754 KDOQPHWYHMVAAF-TZIWHRDSSA-N 430.597 2.127 30 10 IEEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC)C1CC1 1705854892 QHEOFYIVAPIJGT-UHFFFAOYSA-N 445.593 2.042 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CCn1cccn1 1705899572 XYUKYVNBSCKSQC-UHFFFAOYSA-N 444.337 2.343 30 10 IEEE CCc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709029688 ZNUNTLAJUQYQQB-CWJYSFMFSA-N 449.559 2.472 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1711121199 SXXZNFAGDZZGFH-UHFFFAOYSA-N 427.896 2.277 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C(F)(F)F)cs1 1712565118 BQNMQBCAVJPTEM-NWDGAFQWSA-N 446.455 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1712648547 WNFJFHRXUMHVER-SZMVWBNQSA-N 449.458 2.381 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)CCN1C1CC1 1712886222 MJJNYTWLVCGYCY-QWHCGFSZSA-N 431.285 2.294 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1722275684 FKQNVALQPKWKHM-ZHRRBRCNSA-N 426.521 2.178 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNC(C)=O 1722295127 JBIKPGYCMSLYPO-MRXNPFEDSA-N 432.569 2.377 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1C 1722388938 BDYNNDWJUGWBBW-RTBURBONSA-N 443.573 2.127 30 10 IEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1722465003 VQPNSIWGUGJVHA-HOTGVXAUSA-N 448.593 2.028 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722545769 BGPFHXOBOCEZSP-LBPRGKRZSA-N 448.774 2.422 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722586598 KGRFYTUIBJHXFU-UHFFFAOYSA-N 438.580 2.082 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1722647084 AYQRQADQLXQINK-UHFFFAOYSA-N 448.575 2.111 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2ccnn2)CC1 1722693336 KNNWPKZDDUEBIU-UHFFFAOYSA-N 440.939 2.409 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(C)C)CC1 1722702470 KYUPPKUDHRKDQS-UYAOXDASSA-N 432.613 2.277 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC)C1 1722712721 YHICWGKUARNZRY-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC(C)(C)C)C1 1722724812 GPYTXZCVOKSJDP-SCTDSRPQSA-N 435.569 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1722737262 YMSGBSKOFNUSRT-GOSISDBHSA-N 439.626 2.289 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1724280221 JTOANUOPRYYTAH-LJQANCHMSA-N 440.548 2.365 30 10 IEEE Cc1cc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)n(C)n1 1725837717 FMZLBGMBWKUHOT-KRWDZBQOSA-N 434.552 2.281 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1c(C)coc1C 1729066265 YLEBTIQCXRZDOF-UHFFFAOYSA-N 438.536 2.313 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(O)cc1 1729066583 GROYKIKMMDBSRV-UHFFFAOYSA-N 433.516 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1740558204 DIFXAHHKKHQEFO-KRWDZBQOSA-N 433.603 2.372 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740591219 QUJJLGMGFYDEOU-GOSISDBHSA-N 425.537 2.019 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1740635775 ZNCORGKZJQTSPY-FQEVSTJZSA-N 435.528 2.340 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1740668948 GFSPJAVZHBAYHC-GOSISDBHSA-N 433.560 2.383 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740720457 ZEDFPJPJUNGTIA-SJORKVTESA-N 444.630 2.309 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740874415 SSKKFRPOCRDMJR-HZPDHXFCSA-N 428.541 2.024 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1(F)CCC1 1741674531 FWIMVTJIHKHFRO-UHFFFAOYSA-N 440.527 2.292 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1743196545 CVLHTTSLEAJQSV-QGZVFWFLSA-N 449.559 2.275 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1748685580 BEWPXVQVZMYGCH-OAHLLOKOSA-N 429.912 2.143 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817321 ISRWRYQTWFOSDR-ZNIXBBRXSA-N 426.542 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCCC1 1748847953 ZFDBYDJCRZTMBZ-UHFFFAOYSA-N 446.603 2.399 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCS(=O)(=O)C1 1748953949 YARYZCJVHXGYLG-MRXNPFEDSA-N 428.514 2.212 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2F)CC1 1748979111 WNEAUMRGJMMODO-QHCPKHFHSA-N 445.514 2.400 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1748987344 UQBFCLZCWWOMGC-FQEVSTJZSA-N 437.523 2.431 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749024313 MLJDXZQZAMBMQW-GHTZIAJQSA-N 441.601 2.477 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N(C)C)CC1 1749286380 JQSUNGXEIGJZGJ-HOTGVXAUSA-N 438.623 2.409 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749359281 YNDJLTLNLWFDRJ-UHFFFAOYSA-N 427.553 2.450 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749459920 VXDUIYOOBUOHJZ-IBGZPJMESA-N 427.553 2.340 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1749651365 UCZVBBIDCMTUQW-UHFFFAOYSA-N 431.562 2.146 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCC(OC)CC2)C1 1749711543 AOWBVXOJIYDCPE-ICSRJNTNSA-N 433.597 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](OC)C1 1749724018 GFQXWHCEGBDIFH-INIZCTEOSA-N 442.488 2.372 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)c1 1750075457 FLOFPVOAUFGCOC-GOSISDBHSA-N 448.579 2.414 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1750379229 CQWCIKGIGPBPFW-VFNWGFHPSA-N 425.443 2.198 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCCO)CC1 1750384664 IUSIFDRKYVWHRU-NRFANRHFSA-N 440.548 2.117 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1750389214 XIYPNHNQVQGTLK-OAHLLOKOSA-N 444.421 2.044 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760184771 LWTUTPHPULFDQE-QGZVFWFLSA-N 438.500 2.244 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1snnc1C 1760193524 HVWMDTFQTHRJKB-UHFFFAOYSA-N 439.932 2.143 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C 1760220224 XVWCKRAJCHGOLH-IBGZPJMESA-N 426.542 2.031 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1760331080 PBWOIKCQHNFXIY-UHFFFAOYSA-N 445.387 2.377 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760334068 PDBCACFCBAWHAV-IEBWSBKVSA-N 445.593 2.342 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1760347162 HJBDJHCNXNTGMM-UHFFFAOYSA-N 431.928 2.468 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760431222 IIXWQIUQXKQCLX-UHFFFAOYSA-N 429.525 2.078 30 10 IEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760443596 JRPJFCMYTZOOOI-QGZVFWFLSA-N 442.495 2.435 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1761358696 CNADNWFAKXNSJM-NVXWUHKLSA-N 445.545 2.422 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1764266875 CSWLGTJXFCCDPN-GOSISDBHSA-N 430.578 2.029 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1764568353 FMQBBNSQHOYZNH-HXOBKFHXSA-N 438.532 2.117 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C(C)C 1765231266 BOVYHAXZOKQVHQ-KRWDZBQOSA-N 432.594 2.416 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1765255744 KHPANERHYFMNIG-RJCBAWPRSA-N 439.545 2.198 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CC1 1767090444 AEJBTYQULKCNCE-UHFFFAOYSA-N 436.541 2.349 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1767866154 POTVLOJJMPXPNU-QZTJIDSGSA-N 436.516 2.121 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1769569252 YPOUUIQPCDRNBZ-KRWDZBQOSA-N 428.500 2.445 30 10 IEEE COCCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769664771 OUZPPMOVJGYMNG-KRWDZBQOSA-N 433.520 2.143 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1770103813 BEOGAPDLSWNROK-KNQAVFIVSA-N 443.573 2.317 30 10 IEEE C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1851043724 YKNZZMNMMXLFCY-GOSISDBHSA-N 443.491 2.026 30 10 IEEE C=CCC[C@@H](C)C(=O)O[C@H]1CON(C(=O)CN2CCN(c3cccc(Cl)n3)CC2)C1 1851401581 WKUXEWJRCFAGEK-IAGOWNOFSA-N 436.940 2.145 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H](N2CCS(=O)(=O)CC2)C(C)(C)C)c1C#N 1851772123 GAIXHOBIGXCUSK-IBGZPJMESA-N 443.573 2.195 30 10 IEEE N#Cc1cccc(NC(=O)CN2CCN(C(=O)c3cncc(Br)c3)CC2)c1 1852033344 VNCOEMSHRBTZGG-UHFFFAOYSA-N 428.290 2.112 30 10 IEEE CN(C)C(=O)CO[C@H](COc1ccc(C#N)cc1)CN1CCN(c2ccccc2F)CC1 1852614442 OCMZTZWQIZPYJU-NRFANRHFSA-N 440.519 2.372 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)[C@@H]1CCCN1c1ccccn1 1853111776 NTTIQQFLPCZJIY-INIZCTEOSA-N 446.964 2.397 30 10 IEEE COc1ccc(S(=O)(=O)C2CN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)C2)cc1 1853316217 HYAGCNAMAKBEJG-UHFFFAOYSA-N 430.873 2.166 30 10 IEEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C12CCCCC2 1853676287 HJYKFWGPDHQHCV-UHFFFAOYSA-N 437.606 2.140 30 10 IEEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3C)C2)CC1=O 1856098691 NVNAUJKQYLONAK-KRWDZBQOSA-N 439.965 2.048 30 10 IEEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)cc1 1857421290 LLCWLJKAMJXFOS-UHFFFAOYSA-N 425.510 2.000 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862739695 FCUZIMFOBRPSEQ-DIFFPNOSSA-N 427.369 2.462 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(C)nn2CCC 1864319592 YHHZIKHFALKWCZ-AUUYWEPGSA-N 426.517 2.358 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1O 1874338764 XKTSSNIEOZXWFK-IMQYADFFSA-N 444.561 2.209 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 1891246324 IXGJYLGRPZTOKM-UHFFFAOYSA-N 446.523 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](O)C#CC1(S(C)(=O)=O)CC1 1902431031 LMJLURXVYWVHLV-OALUTQOASA-N 437.558 2.428 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988628587 YVMQXFPGZFSALZ-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2010078352 VHQLIKOLRDWQFP-HSZRJFAPSA-N 430.501 2.377 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247833391 FSXQCZYYDMZMQW-STQMWFEESA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]2COC[C@@H]21 2255362666 HRPOZFHLLHCNDZ-HOTGVXAUSA-N 431.342 2.205 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2255620821 ZTKJEJVGBAPBHX-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)CC(C)(C)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255626633 IIKNIBLTTAIERX-UHFFFAOYSA-N 427.354 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255711899 GBPOWESFXCAMRR-FPTDNZKUSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256885787 DKVCLIHVCQLLPQ-BBRMVZONSA-N 438.305 2.438 30 10 IEEE Cc1c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999755 OSDPXEQZICYCOP-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)OC1(C)C 2267144659 AFVMKNILLJIIHK-DFQSSKMNSA-N 436.365 2.349 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 2267191197 ZAWOCBBTZJASJY-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CCn1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267491999 MGRXIDXMDPQEKK-LSDHHAIUSA-N 446.357 2.036 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(Cc2ccccc2)C1 2267504374 RDNFWTRKAYKGJG-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE Cn1nc(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267533623 VMGOOQRRTZXSBP-XMMPIXPASA-N 438.381 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267615019 WQDBTISBMZPIDG-HOTGVXAUSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCOC1 2268708641 DJOOPYNZYBFHHI-PBHICJAKSA-N 447.341 2.249 30 10 IEEE CCn1cc(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2271961885 SFVMFTARGCUJFZ-CABCVRRESA-N 448.373 2.235 30 10 IEEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 2296615701 FIRKZUAQQCXIJW-IBGZPJMESA-N 430.432 2.181 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2311104771 SXEANVZRWDSYOD-MFTMGBKMSA-N 436.358 2.203 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccnc1 2330733874 WFQUSYUWTDFHCC-UHFFFAOYSA-N 427.465 2.061 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1C 2337190510 OPWZBDWJTARYQF-ZDUSSCGKSA-N 448.373 2.013 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)nn1 2342478909 BFJRLLWUULNWAI-QVKFZJNVSA-N 449.361 2.466 30 10 IEEE CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925102 BMRLHRRQGHOKJR-INIZCTEOSA-N 440.525 2.094 30 10 IEEE C=CCOC(=O)C1=C(C)OC(=O)[C@@]12C(C(=O)OC)=C(N)Nc1ccc(Br)cc12 20569001 YZJORLFFPIAWKH-LJQANCHMSA-N 449.257 2.016 30 10 IEEE C=CCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33619170 RNAKHKDGHLTHOA-FOWTUZBSSA-N 441.582 2.142 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 108507502 WDZXNWNDGFWAIX-NRFANRHFSA-N 431.500 2.286 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)cc1 440992159 YJHSSSNIKPOXKU-UHFFFAOYSA-N 432.546 2.235 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1 460159427 BDXONBWVMCGFKX-QUCCMNQESA-N 449.536 2.346 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC(=O)N2C)cc1 461305201 XHSAQJJGSMMWNH-WIYYLYMNSA-N 430.468 2.614 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1 462108205 KPKIBEJKJOZWBI-CTNGQTDRSA-N 431.500 2.143 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C[C@@H](CC#N)c4ccccc4)CC3)C2=O)n(C)n1 476653372 DITBANXLSBMGJN-YADHBBJMSA-N 448.571 2.456 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 495774488 KHDFJEXSHGHTQE-LJQANCHMSA-N 426.517 2.297 30 10 IEEE Cc1sc2nc(CS[C@@H](C)C(=O)N3CCN(C(=O)CC#N)CC3)nc(O)c2c1C 503606634 AWEYEXJDQBLXSQ-ZDUSSCGKSA-N 433.559 2.220 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cc1 505249062 KITHRASIEAHLBW-UHFFFAOYSA-N 438.484 2.134 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)c1 515451537 IPSCCDDCIKYSRX-UHFFFAOYSA-N 445.544 2.388 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 522675582 DAWCXJCOXNOGBX-UHFFFAOYSA-N 443.550 2.443 30 10 IEEE Cc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 526883833 AAZXZIMRWFAORS-HYKORDCSSA-N 437.572 2.230 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 534447566 QGVJYQWQTWIGGF-UHFFFAOYSA-N 425.464 2.042 30 10 IEEE N#CC1(CS(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCCC1 544713338 JALILCBKEZTJKX-UHFFFAOYSA-N 445.632 2.469 30 10 IEEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1Cl 546914493 NPQRMTFEGZMYQQ-KRWDZBQOSA-N 425.876 2.069 30 10 IEEE COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 575845591 SUOXDSPMCYNYLK-MRXNPFEDSA-N 426.546 2.442 30 10 IEEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 586777416 OJEYQCXOHQBGQT-ZTFGCOKTSA-N 428.430 2.186 30 10 IEEE CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CN(Cc2ccccc2)CCO1 586860061 RGNHHCGCIWOTOM-FCHUYYIVSA-N 438.503 2.109 30 10 IEEE COc1ccc([C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1F 588647290 JFUUYOOAKPFOCZ-HNNXBMFYSA-N 446.504 2.483 30 10 IEEE Cn1cccc1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 619850461 RHIIYSYARPUKJZ-FQEVSTJZSA-N 445.527 2.297 30 10 IEEE COC(=O)CSCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 729818114 HELWOCUBCBCGFY-MRXNPFEDSA-N 446.554 2.065 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C[C@@]2(C)CCOC2)C1=O 733075756 WPOWSCNQJXBILA-LAUBAEHRSA-N 436.553 2.252 30 10 IEEE N#CCOc1ccc(Cl)cc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 738342554 FZMUKILATFDRME-UHFFFAOYSA-N 428.924 2.191 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 742295726 ONTJTSBINDKAAZ-FPOVZHCZSA-N 446.573 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@H](C#N)C1 749520964 KZGFCRWUOQDROM-QZTJIDSGSA-N 428.489 2.389 30 10 IEEE Cc1ncsc1-c1nc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 761173605 SEMHFFBIRFWKAV-JTQLQIEISA-N 447.498 2.062 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cncs3)c(=O)n2C[C@H]2CCCO2)cc1 764976508 GCJXZQGUJREHQB-MRXNPFEDSA-N 437.546 2.240 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1C 766419065 LMNKRZIFFGRZJN-IBGZPJMESA-N 440.573 2.293 30 10 IEEE CC(=NNC(=S)NC[C@@H]1CCCO1)c1cc2c(cc1Br)NC(=O)CO2 767366400 FUTZDPNXDGUTDQ-JTQLQIEISA-N 427.324 2.147 30 10 IEEE CCN(CC)CC#C[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCSCC1 770804373 OQRGNUSUGARTRH-HNNXBMFYSA-N 430.617 2.376 30 10 IEEE Cn1c([C@@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)nc2ccccc21 777284941 AGVJQUQOXKQQGR-YOEHRIQHSA-N 425.489 2.265 30 10 IEEE CCN1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1cc(F)c(F)c(F)c1 782847092 OSSQOMYDZYFIKY-QPUDZLQSSA-N 436.434 2.272 30 10 IEEE Cc1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 782850184 VLBIADCFSCKVDA-SFHVURJKSA-N 445.541 2.458 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)O[C@H]1CCN(c3sccc3C#N)C1=O)CC2 786799875 HSKAMRDDDAYUKQ-KRWDZBQOSA-N 441.509 2.344 30 10 IEEE COC(=O)c1sc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(C)c1Cl 788589251 SNLHECQTSDVCHL-UHFFFAOYSA-N 440.934 2.274 30 10 IEEE O=C(CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)OCC#Cc1ccccc1 791254161 WAHCCKMOZYATTE-UHFFFAOYSA-N 443.481 2.068 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 796410477 CXKQWYFASJIHFD-IIDMSEBBSA-N 443.529 2.293 30 10 IEEE CCCCn1nc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C)c2ccccc2c1=O 800733971 FUKYMDUNFXMXRL-KRWDZBQOSA-N 432.532 2.169 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804162270 GILSZXNNDULTLL-AWEZNQCLSA-N 432.496 2.465 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCc3ccc(S(=O)(=O)N4CCCC4)o3)cc2C1=O 915369412 FCWMVFCWGPRSES-UHFFFAOYSA-N 444.465 2.203 30 10 IEEE C[C@@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 915402942 HKJCJBJNVWFYIB-LLVKDONJSA-N 438.465 2.094 30 10 IEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)o1 1084216059 AQEQCTZUUUYVLW-UHFFFAOYSA-N 430.494 2.043 30 10 IEEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3c[nH]c4ccccc34)n2N)n1 1084551707 QMBACPDCHKJEJC-UHFFFAOYSA-N 427.519 2.415 30 10 IEEE CN(C)C(=O)COc1cccc(CNC(=O)COc2cccc(Br)c2C#N)c1 1125225581 BPNOIUFIHMGYRG-UHFFFAOYSA-N 446.301 2.483 30 10 IEEE COC(=O)c1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1129486003 FJLXWUGRCJZTSE-AWEZNQCLSA-N 445.472 2.352 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1157760614 MZXWJCFZGHPXOQ-HZPDHXFCSA-N 432.546 2.034 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1c2ccccc2C[C@@H]1C 1227630391 AXPFFSYHZFWSRD-FIKGOQFSSA-N 445.523 2.325 30 10 IEEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1228797159 YUDQQRBJTIUIHA-IBGZPJMESA-N 429.517 2.221 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)cc1 1251104464 MWIFVEIGQIOXBD-UHFFFAOYSA-N 433.512 2.233 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)CCCS2(=O)=O)c1 1264677083 RDAUAOXZSVRMSW-OXMAITBSSA-N 441.575 2.185 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1286348873 ARNHAYRGHAHJBG-XLIONFOSSA-N 443.573 2.148 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1286400391 FDUPALIONGKOST-XMMPIXPASA-N 445.527 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cccn(CC)c1=O 1286423247 HSGQHDVJYZFNPA-UHFFFAOYSA-N 429.480 2.367 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(O)CCSC2)CC1 1286472554 JLPKZPNIUYRXDP-NZQKXSOJSA-N 425.602 2.443 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286541077 GOJZCCRNSMNZHY-CFVMTHIKSA-N 445.383 2.093 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCC[C@H]2CO)CC1 1286639074 XADUGXUVGBOUJI-REWPJTCUSA-N 433.597 2.324 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C2CCCCC2)CC1 1286664096 TVZXLAXCSRVPMA-SFHVURJKSA-N 449.621 2.374 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1286746487 ZEGRPXDXGSUDLC-GOSISDBHSA-N 441.561 2.033 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 1290636959 DCIDIWWIJBGWCO-AWEZNQCLSA-N 425.507 2.312 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N(CCC#N)c1ccc(F)cc1 1292896616 BVNPJCSSZCOLME-INIZCTEOSA-N 427.498 2.400 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)CC1 1299121311 DTPXTZSODFGOEE-OAHLLOKOSA-N 428.562 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCS(=O)(=O)C1CC1 1299387041 UQZCTZIOJPLBDI-SFHVURJKSA-N 433.530 2.086 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 1299626704 GKEFQMRKPWDJKK-UHFFFAOYSA-N 425.489 2.236 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C)c(OC)c2)CC1 1300684010 VWOQHFUHGSALNG-IBGZPJMESA-N 427.549 2.123 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1300709987 NOYUWFMPVMMFDA-MBSDFSHPSA-N 427.524 2.303 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1301298168 ZPXVEJPZLBCQAE-GFCCVEGCSA-N 426.340 2.008 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1301360167 WEJRINYDTGCYRI-UHFFFAOYSA-N 445.574 2.025 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)cc1F 1301479388 YUIZUNYLLKBAFJ-UHFFFAOYSA-N 441.442 2.142 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301546683 BUNAXDOVCXODLY-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)[C@H]1C 1301576071 REVXWIKZKWSWJC-OAHLLOKOSA-N 449.533 2.458 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC2CCC2)CC1 1304696143 ICZOMZVDMIKCEJ-IBGZPJMESA-N 432.590 2.273 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 1313291552 MLTRHXWWAHTKGQ-ZCNNSNEGSA-N 434.581 2.188 30 10 IEEE CCN(CC)C(=O)CCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1313643543 RZGGPEJAZXDMHX-QGZVFWFLSA-N 431.566 2.011 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NCc1ccc(N2CCOCC2)nc1 1349579783 AYPKLDQCGVJJOK-UHFFFAOYSA-N 431.290 2.248 30 10 IEEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1354933727 XGVNJMSOVIHKLS-GFCCVEGCSA-N 438.855 2.230 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1358964678 DQJZQFPCWBKKTR-IBGZPJMESA-N 427.574 2.471 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358990454 OSMQJBSPYZEFEP-FQEVSTJZSA-N 441.539 2.471 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(S(C)(=O)=O)CCCC1 1359064300 PNPZDIOVVYFLDL-YLJYHZDGSA-N 438.594 2.352 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1359073146 DVTLKTFQIVCIMM-FDDCHVKYSA-N 436.516 2.146 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359177666 XBIYBMDMWMPMQF-UHFFFAOYSA-N 439.545 2.116 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1359202931 FHMACYXOOAXSQH-SFHVURJKSA-N 433.582 2.045 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359283049 KVZCXYCHBILCCF-UHFFFAOYSA-N 430.394 2.483 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCO2 1359465363 AIMJKBQWOBMUHJ-HNNXBMFYSA-N 433.472 2.341 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CCCCC#N)CC[C@@H]32)CC1 1451453639 VXFSPQWDOFLMTE-ROUUACIJSA-N 433.553 2.465 30 10 IEEE C#CCN(C(=O)c1cnc(CCOCCOC)[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1455811618 PISOLXPSUYNKLP-UHFFFAOYSA-N 434.537 2.090 30 10 IEEE COc1ccc(CN2CCN(C(=O)CN3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2)cc1 1460862166 UQGKHMLUTLEIPB-XMMPIXPASA-N 434.540 2.285 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1CSc2ccccc2O1 1469361647 QTXKHEJLASPAML-ZBFHGGJFSA-N 431.539 2.285 30 10 IEEE C=CC[C@]1(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CCCN1C(=O)OC(C)(C)C 1470224875 FFUYOZIVTRUASC-DHIUTWEWSA-N 437.581 2.064 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)[C@@H](C)O)c1 1470646189 XDWTUZJEMAGNTN-KUHUBIRLSA-N 438.933 2.193 30 10 IEEE COc1ccc(CNC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1C#N 1471193161 YIGLYZQNQUUFGL-ZDLGFXPLSA-N 437.481 2.498 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)c1 1474853568 CABPQYLJMCGVJB-UHFFFAOYSA-N 437.521 2.226 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)ccc2Oc2ccccc2)CC1 1476249922 IGMDFACAFXDFLJ-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1476412681 GELSPXKGGPKCNA-QWHCGFSZSA-N 446.451 2.295 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)c1 1503356647 DWGFKUWOANWNFG-UHFFFAOYSA-N 449.559 2.199 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)OC 1504579247 HSEOVAMHKIISOL-LJQANCHMSA-N 440.548 2.173 30 10 IEEE COCC1(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1504631653 HSVPNOIXNSSTKB-HNNXBMFYSA-N 430.509 2.187 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1505041767 YQIFWJMYYSMNSX-CVDCTZTESA-N 441.532 2.112 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1507739408 HHVSKHVZOUGMJS-LJQANCHMSA-N 426.609 2.317 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCC[C@H]1C 1509682515 FELMJKGESHRXLO-MJGOQNOKSA-N 436.564 2.446 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1512251529 IDRHVKSEFNIVHP-KRWDZBQOSA-N 442.589 2.314 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCc2cccc(C(N)=O)c2)CCOC1 1516160721 FXISPDZUIVYIJW-HSZRJFAPSA-N 438.532 2.012 30 10 IEEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)cs1 1518825796 BNEADXGVLVOZJV-AWEZNQCLSA-N 437.529 2.135 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCO[C@@H]1C 1519149571 AOKDEXNMCLYJSB-LLBVYWAGSA-N 441.532 2.194 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CCCOCC1 1521422457 ALDXSRUAWFPGPT-CZIZESTLSA-N 442.907 2.352 30 10 IEEE C=CCC1(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CCOCC1 1525262406 DEGKRAKCQKEMBF-UHFFFAOYSA-N 437.518 2.020 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)OC(C)(C)C 1539145726 QITBMXJSEWDMFM-UHFFFAOYSA-N 446.939 2.456 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(c2cccc(F)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1539230645 JPHOAITWLSVATL-LJQANCHMSA-N 446.548 2.312 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1539447102 NZZKZJWTSUAOQY-HXUWFJFHSA-N 439.560 2.383 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@](C)(C#N)C2CCCCC2)C1 1543863392 CRUQDSUSOHZTAT-OXJNMPFZSA-N 427.567 2.389 30 10 IEEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1555993809 FBBJHWOISDNXHF-IBGZPJMESA-N 428.562 2.219 30 10 IEEE CS(=O)(=O)c1cc(Br)cc(C(=O)NCc2ccc(C(=O)NO)cc2)c1F 1556381653 ASZQYKHJLJVSFJ-UHFFFAOYSA-N 445.266 2.041 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)Nc3n[nH]c(-c4cccc(C#N)c4)n3)CC(=O)N2C(C)(C)C)cn1 1559046752 RUDGZNAAAFNVFM-FUHWJXTLSA-N 432.488 2.404 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)C(C)C 1564871848 MARYLXKBWDXSSO-LBPRGKRZSA-N 434.381 2.184 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)NCC3(C#N)CCOCC3)C2)cc1 1565465788 FWSPKLTVACWWFE-SFHVURJKSA-N 434.562 2.015 30 10 IEEE CN=[S@](C)(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1569052626 AYHIWRSBQHWQIX-MUUNZHRXSA-N 434.543 2.231 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H](C#N)C2CCCC2)C1=O 1583395638 QKJBIMSZYGUQHA-HNAYVOBHSA-N 433.306 2.415 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1585476329 GLHAEVNRQKOKDT-UHFFFAOYSA-N 448.541 2.154 30 10 IEEE CN(c1cccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1)S(C)(=O)=O 1586137724 QRMNEHWEGNZDAT-KRWDZBQOSA-N 438.550 2.286 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1587620740 JEMFYIFSYRBXBE-KRWDZBQOSA-N 444.543 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1c1ccccc1 1588181038 NGSWULGHAVVACM-IHPCNDPISA-N 425.558 2.155 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1588205570 PDOSZPUFAYJSHD-MHECFPHRSA-N 438.528 2.355 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1588628149 DZQLFJILRYKZSY-MRXNPFEDSA-N 429.525 2.077 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(=O)N(C)C)c1 1588637487 GQZPTCGTABQILW-FQEVSTJZSA-N 425.533 2.356 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1589059961 LONSLDVQHNSMQY-NHCUHLMSSA-N 446.665 2.491 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOCC)CC1 1589516199 YALBQLBWXQIPNN-FPOVZHCZSA-N 426.565 2.480 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1589590419 WHZQQVPLTKLRLU-ZWKOTPCHSA-N 426.631 2.411 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nc(C)no2)CC1 1594783763 ICBNUJDVKZTRQL-UHFFFAOYSA-N 429.525 2.182 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@@H]1C 1595127281 LOPKJUCFSRBCMC-FXCLAUTBSA-N 429.496 2.101 30 10 IEEE N#Cc1c(CCCNC(=O)C[C@H](O)C(Cl)(Cl)Cl)nn(-c2ccccc2)c1N 1595349669 IIYPWWRIAFCSHK-AWEZNQCLSA-N 430.723 2.496 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(c2nc(C)no2)CC1 1595562270 SBJFLNNGHUQJDJ-UHFFFAOYSA-N 427.534 2.308 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 1595778026 USPZSROJRYRAOC-UHFFFAOYSA-N 449.552 2.038 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1595812670 YOMTXESSJFAKMN-OAQYLSRUSA-N 434.537 2.226 30 10 IEEE CCCn1c(CCC(=O)NCc2ccc(CC#N)cc2)nc2cc(S(N)(=O)=O)ccc21 1611476307 UZSQNFNUYLSTRI-UHFFFAOYSA-N 439.541 2.409 30 10 IEEE CCOc1ccc(-c2nnc(N(C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)cc1OC 1616335323 OILJDDRMCFARJD-VZCXRCSSSA-N 440.504 2.335 30 10 IEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C 1619881728 CKUITXRVQAGXOW-KRWDZBQOSA-N 430.578 2.249 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 1625077513 BCXUADACHJIFFQ-MRXNPFEDSA-N 425.279 2.357 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)C1=O 1626599212 ZXMHIQJXEZINSL-JQYPEGPJSA-N 425.507 2.399 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1)[C@@H]1CCCO1 1634470287 QJBXZDARZITGKX-BURNTYAHSA-N 446.592 2.425 30 10 IEEE N#Cc1ncn(CCNC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)n1 1635097832 QIDCBOARPMONOP-UHFFFAOYSA-N 425.674 2.170 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21)C(=O)OC 1635158471 BNUQIZXTYFHQGH-HXOBKFHXSA-N 448.516 2.222 30 10 IEEE COC[C@@]1(CO)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1640895783 BJGLBHDTKPERFG-CVDCTZTESA-N 429.517 2.250 30 10 IEEE Cc1ccc(NC(=O)[C@H](C)Sc2ccncc2C#N)cc1S(=O)(=O)N1CCOCC1 1641268954 KXXJBHPMODOYCN-HNNXBMFYSA-N 446.554 2.402 30 10 IEEE C=C(C)C[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OC 1642698248 NZVALANLVPHQDS-RBBKRZOGSA-N 449.507 2.124 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)c1ccc(F)cc1F 1644939789 MQGDCSQBSTYOHU-LLVKDONJSA-N 429.395 2.411 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[C@H](CC#N)C2)c([N+](=O)[O-])c1 1645301451 YDGOTHLEDXLSBJ-OAHLLOKOSA-N 438.506 2.156 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 1648462278 QQVGGAUHYAQXLN-HRAATJIYSA-N 433.461 2.406 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC#N)C(F)(F)F)nnc12 1649076339 VXCBWFCCJTYZKX-CYBMUJFWSA-N 436.419 2.283 30 10 IEEE Cn1ccnc1N1CCC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1661750633 DNPSSRAZMCELPT-UHFFFAOYSA-N 442.314 2.141 30 10 IEEE CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)S(=O)(=O)Cc1cc(C#N)ccc1F 1671520682 BXLUDHRBAABQDZ-ZDUSSCGKSA-N 431.415 2.375 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1672712347 PGPVISNIZGYGMU-ZDUSSCGKSA-N 433.324 2.291 30 10 IEEE COC(=O)c1nc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ccc1Cl 1682594390 ABCRDKREDQBWBG-QGZVFWFLSA-N 427.892 2.441 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1685561120 FGJJMYMHHOCVFK-CRAIPNDOSA-N 441.532 2.481 30 10 IEEE Cn1cc(CNC(=O)N2CCC([C@H](O)c3ccnn3C)CC2)c(-c2ccc(C#N)cc2)n1 1686078301 AAFBMHNXLZXLFT-QFIPXVFZSA-N 433.516 2.347 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1689875594 WSOJIDURHKZHTO-UHFFFAOYSA-N 447.499 2.284 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1689910919 UNUFBPRXOFPYRC-UHFFFAOYSA-N 445.531 2.072 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1689943872 FZJJFLSHXWNWLW-HNNXBMFYSA-N 427.509 2.298 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)cc2c1 1690033480 YNIVOMRJBQVFAE-KRWDZBQOSA-N 438.557 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690044934 CQHFUXIYGJFXOA-QFIPXVFZSA-N 449.555 2.498 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(CC)C2)CC1 1690150243 AFCCBPFLMJSCQJ-QFIPXVFZSA-N 448.615 2.371 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NC)CC1 1690481073 TXWNWKPIZJHSMV-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC2(CCCCC2)C1 1690726902 PXMMQPNLGIEFRB-UHFFFAOYSA-N 445.589 2.404 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1690734214 YTIZRWFHOVKGGY-UHFFFAOYSA-N 434.610 2.222 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS(=O)(=O)C1 1694081892 PZDUXQHXLWZRJI-LSDHHAIUSA-N 444.561 2.151 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695438300 HTSFDDGVAHRIRT-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE COc1ccccc1SCc1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1697624747 ZJUKLQQOPQJALF-AWEZNQCLSA-N 438.513 2.404 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(F)(F)F 1698165507 WMGXGVBYMJOCKC-CQSZACIVSA-N 439.442 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1705490315 HXEWSOKZWZGJSR-ZDUSSCGKSA-N 434.529 2.053 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Cl)cn1 1705492542 SCYGKFHHPKXLQV-INIZCTEOSA-N 439.955 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCCC(C)C)CC1 1705647252 BFKBFKNDBREJGJ-HXUWFJFHSA-N 431.581 2.201 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705652894 QYRQVZISVWTVSL-UHFFFAOYSA-N 431.484 2.131 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705734392 NQPZTWXHANZNFB-CTNGQTDRSA-N 428.581 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](COC)C1 1705899403 REDCKCUZXJVLRX-AWEZNQCLSA-N 434.338 2.483 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1705899645 AVIAOFXNSXRMAR-UHFFFAOYSA-N 439.470 2.247 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1710779947 DPXLZRBCFPEBGM-DVSFIDLUSA-N 430.553 2.256 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(C)(C)C)nc1 1712567147 SFWZZIKNNJORKA-AEFFLSMTSA-N 444.536 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccccc12 1722390874 VMGIZIOYCPASQF-KRWDZBQOSA-N 438.557 2.075 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722456209 UVIAWBIPQUBRQC-ROUUACIJSA-N 444.605 2.018 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722642986 BYBIUZPJGAZKTB-GOSISDBHSA-N 436.568 2.263 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1722657566 GFJHJRARDOAHTQ-OAHLLOKOSA-N 436.438 2.100 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723107931 RQAGTKUWTFJPKW-XXBNENTESA-N 439.564 2.172 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1723629011 DILCISBREOTFST-GAJHUEQPSA-N 438.532 2.116 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCCC1=O 1723768757 GNJAQUKEBRELNU-QGZVFWFLSA-N 438.536 2.456 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1728180353 FNTQWRXHTRTUJP-UHFFFAOYSA-N 432.532 2.341 30 10 IEEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1729592597 VLMKWWDEZNXVPB-HNNXBMFYSA-N 428.447 2.387 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1730568729 BBOKXORRIJHAEW-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)c2cc[nH]n2)C1 1731179913 HAKYYFFHRXZARK-IBGZPJMESA-N 428.859 2.194 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1740549117 KZFZSDWGMFAAJW-CVEARBPZSA-N 431.487 2.100 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740635572 LBVZSVBIZQGVOV-IBGZPJMESA-N 432.528 2.304 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CCCO 1741127511 CZEBDVSCBJVLSN-PKOBYXMFSA-N 440.548 2.159 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccoc2)C1 1741233633 YPWGALKZWZGCEK-IXDOHACOSA-N 428.493 2.419 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@@H](C)O1 1743320587 XICGWJIPNBVMBC-ZOCZFRKYSA-N 429.546 2.210 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1747424162 PQUNWMWSPZSTRQ-UHFFFAOYSA-N 434.566 2.240 30 10 IEEE CN(C)CCN1CCC(Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)CC1 1747592566 HQAGYLWJUQMEHN-UHFFFAOYSA-N 436.608 2.277 30 10 IEEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)ccc1OCCO 1748540633 BRYLELFCWSRRQS-IBGZPJMESA-N 441.532 2.340 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1748717788 IOCKHAROAYXBLE-PKOBYXMFSA-N 447.561 2.349 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 1748979941 TXVYROFIUBDXDL-PMERELPUSA-N 427.574 2.010 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1749053147 BPTUBEHTYWDPPA-ZXYWRSMDSA-N 436.607 2.449 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCCS(C)(=O)=O 1749170034 AWQMSAHWBUWZQJ-UHFFFAOYSA-N 439.969 2.309 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1749707436 DWLIPAROAVKSQH-PMACEKPBSA-N 425.533 2.361 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1749714787 MOOTZFDBXFOQAO-FGZHOGPDSA-N 440.592 2.402 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CC1 1750389419 YHMOCSVQTCTVCO-MRXNPFEDSA-N 434.953 2.407 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1(=O)=O 1750790862 HCSHIGIRFIHRLL-QGZVFWFLSA-N 438.598 2.150 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1750948285 HIHLXSOOHHCHKR-IERDGZPVSA-N 449.481 2.439 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1751019301 XXOUZYPIUAYDPG-NHCUHLMSSA-N 431.516 2.127 30 10 IEEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1751363351 BPXXCOKHYFNFEB-UHFFFAOYSA-N 443.558 2.038 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cc1 1751554692 ZIMGYHQJBVDFJE-INIZCTEOSA-N 441.513 2.302 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760188744 CSOQLSORCQTEKG-YLJYHZDGSA-N 434.587 2.126 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760282245 YDNHFVGFDOAVOY-LJQANCHMSA-N 437.573 2.132 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1761819775 FHXAJJZOEOFYHF-MSOLQXFVSA-N 446.577 2.043 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H]2C)CC1 1768173464 GVKAXPSTFJZQKC-HXUWFJFHSA-N 437.592 2.460 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1769084470 PZUOXNMQYFFFRY-QHJFFJIOSA-N 440.504 2.234 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ncn(-c2ccccc2)n1 1770177711 RPMASTRLZWCWAP-UWVAXJGDSA-N 436.520 2.227 30 10 IEEE COc1ccccc1O[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1770486884 BJJNNQVKAXVLHR-YCRPNKLZSA-N 430.484 2.334 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)Cc1cccs1 1772566379 KNAYOMDMCCMYFJ-KRWDZBQOSA-N 440.529 2.393 30 10 IEEE CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CN(c2nccnc2C#N)C1 1849802401 MNBDPLAXEJRYHY-UHFFFAOYSA-N 445.449 2.326 30 10 IEEE COCc1c(C(=O)N2CCC(N3CCC(C#N)CC3)CC2)nnn1-c1ccc(OC)cc1 1850717825 GUNMWORUVCWJHV-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 1852061941 CMVJDTWPDVIXSD-UHFFFAOYSA-N 433.464 2.480 30 10 IEEE CN1CC[C@@H](C(=O)O[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)C1 1852536955 WEFORUYPIGQTPU-RTBURBONSA-N 428.510 2.274 30 10 IEEE COC(=O)c1ccc(C(=O)NCCN2CCC(C#N)CC2)cc1I 1852934081 KVNYRYVLIBCQOW-UHFFFAOYSA-N 441.269 2.043 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCCC[C@H](N3CC(Cn4cncn4)C3)C2=O)c1 1855887588 CNECYUWCGIOPAC-IBGZPJMESA-N 426.908 2.151 30 10 IEEE Cc1cccc(CCCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856611343 COUHGAQTSZBAHX-IBGZPJMESA-N 433.530 2.231 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)COc3cn(CCCO)c(C(=O)O)cc3=O)c2C#N)C1 1857882747 JSXBXNNAEOGAMH-LBPRGKRZSA-N 445.497 2.004 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)C3CCC3)cn2)CC1 1858452352 BZLGLVWDXSZVLP-UHFFFAOYSA-N 425.514 2.203 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862592912 AEJMBLCYQOXLKV-GOSISDBHSA-N 425.397 2.015 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 1862749410 XQBOLAASOQFMFX-GOSISDBHSA-N 427.388 2.448 30 10 IEEE COC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(c3ccccc3OC)CC2)nc1C 1872797546 NTXPKTDGPRPXBP-OAHLLOKOSA-N 428.514 2.245 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(COc3ccccc3)nnc2SCC(N)=O)c1 1874383347 LZESDUWXNOSQBS-SSDVNMTOSA-N 427.486 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2059770353 UYEZYALFPFUOBH-MBSDFSHPSA-N 444.532 2.419 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2060641577 KXADGJVMPKKEBH-NNXHMXCWSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)Cn2cc(Br)cc(C#N)c2=O)C1 2096020389 FWLJMPOFVDKNFY-DOMZBBRYSA-N 426.311 2.490 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2cc(Br)c(C#N)cc2F)C1 2118208378 UUDOETQETZGBMX-UHFFFAOYSA-N 427.274 2.371 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390259 RMZOAKVFXUPZDI-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247772945 BYFPGAIMRGQAMK-CABCVRRESA-N 438.355 2.069 30 10 IEEE C[C@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC[C@@H]1NC(=O)C(F)(F)F 2254801205 IRJORMBXKYPKTI-AAEUAGOBSA-N 431.239 2.413 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256623379 DIQFEFGZALKSLA-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE Cc1ccc(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2256675407 QMXUHLCHTZFKKY-OAHLLOKOSA-N 434.342 2.366 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267129726 FQFCHFZPNWQXIW-GDBMZVCRSA-N 448.373 2.143 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267134817 VCHLYIIDGPCWMW-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267154180 VKXMKMAKPVGZBL-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2267487246 NXONYGTUGYUKBQ-LJQANCHMSA-N 437.349 2.012 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267503621 GOBZNIMXSBJZQH-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267537777 ROFDSFBEAMCPAW-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCC3(C2)OCCO3)OC1(C)C 2267723626 WUDHGOSAPVEEPN-ZDUSSCGKSA-N 429.369 2.011 30 10 IEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268638427 STTOSIIBTXANIK-IIDMSEBBSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3C[C@H]4C(B5OC(C)(C)C(C)(C)O5)[C@@H]4C3)C2)C1 2268990107 RMOZQMFFSOJKIW-IAGOWNOFSA-N 447.385 2.088 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1cnn(Cc2ccccc2)c1 2282588372 UGFDEEZDGSFIHY-UHFFFAOYSA-N 449.364 2.245 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2296226020 BEJMCFCBZBWKOU-FUHIMQAGSA-N 439.350 2.433 30 10 IEEE N#Cc1ccc(N2CC[C@@]3(CO)CN(C(=O)c4ncccn4)C[C@@H]3C2)cc1C(F)(F)F 2297649163 RHHPSYTVTOFEMS-YWZLYKJASA-N 431.418 2.328 30 10 IEEE CC(C)N(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2315601399 DFEDQZWWWBQAQK-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2340498497 YLGCZFOHETYTKB-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE CC(C)(C#C[C@H](NN)c1ccc(Cl)c(I)c1)S(C)(=O)=O 2365194892 WGVZYGFDOCWATH-LBPRGKRZSA-N 426.707 2.276 30 10 IEEE C=CCOC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)OCC=C)C(=O)C[C@]1(C)O 9288434 FYTVLKXIRDHQFJ-GJPOJAMWSA-N 432.469 2.202 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c(OC)c1 102755091 GBANWBKIGUJLBC-GOBJLOIFSA-N 425.485 2.472 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccncc1 170209972 DTPPPVHDKANTQI-OAQYLSRUSA-N 436.512 2.440 30 10 IEEE CC(C)C(=O)N1CCC(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 410286422 AYTTUUXNFGOTOP-UHFFFAOYSA-N 440.504 2.285 30 10 IEEE Cc1ncc(S(=O)(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1C#N 427099758 ICTQAPHQXDNPIY-HXUWFJFHSA-N 426.498 2.231 30 10 IEEE N#Cc1ccc(C2(C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2)cc1 435933487 DXKSVIFNIFNFNG-UHFFFAOYSA-N 439.537 2.068 30 10 IEEE COc1cc(OC)cc(OCCCNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 441306969 KOEOOFILDHCFHZ-UHFFFAOYSA-N 425.489 2.271 30 10 IEEE CCN1CC[C@@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)C1 471231405 HHCGDRCALSWZPF-IEBWSBKVSA-N 440.548 2.117 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H]1c1cncn1C 476047494 VDPUWFPQMYUGGC-PQNGQFLHSA-N 448.571 2.346 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 477976727 QDHFEJQJAOEPCQ-GQWLDOHISA-N 435.509 2.083 30 10 IEEE COc1ccccc1C[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481237692 YVLYWHPTAILYQW-VQIMIIECSA-N 427.526 2.467 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2c(-n3cccc3)sc3c2CCSC3)CC1 492398451 WZRAIJIIMUWGIZ-UHFFFAOYSA-N 430.599 2.388 30 10 IEEE COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1CO 536520066 LORHOCCMOIZRNP-UHFFFAOYSA-N 429.498 2.099 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 564380087 VSUBTCYGZCZTSI-OAHLLOKOSA-N 438.561 2.377 30 10 IEEE COc1cc(CNC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)ccc1C#N 572685562 AJKPGFLCFRMTSP-UHFFFAOYSA-N 443.891 2.360 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 582798150 FODGMAWVXCZCRO-LJQANCHMSA-N 445.589 2.355 30 10 IEEE CCN(CC)C(=O)[C@@H](C#N)C(c1cc(O)c(O)c([N+](=O)[O-])c1)[C@H](C#N)C(=O)N(CC)CC 616582949 WSDQAIKSDFQYIS-GJZGRUSLSA-N 445.476 2.106 30 10 IEEE in-vitro C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2C1=O 642065118 WUAIQWKDRPNVJD-UHFFFAOYSA-N 439.418 2.345 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 746614653 KEVRXHKUOJAOQK-AWEZNQCLSA-N 441.492 2.139 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)C1 760296833 QFMHYARBFBTBIK-WMLDXEAASA-N 447.536 2.230 30 10 IEEE C#CCN1CCC(C(=O)Nc2cc(I)cc(C(=O)OC)c2)CC1 760794351 JWDPAGYJMYXZFZ-UHFFFAOYSA-N 426.254 2.362 30 10 IEEE Cc1ccc(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N(C)C 781400621 QQFYGKHNZFBPGJ-UHFFFAOYSA-N 441.509 2.331 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@@H](OC)C(F)(F)F)C1=O 786688684 PYUSNBFQVQNCEX-ZIAGYGMSSA-N 447.435 2.450 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)c1C#N 793940574 VVWAXOBHJIERGD-RDJZCZTQSA-N 430.553 2.284 30 10 IEEE CCn1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2cccc(C)c2)cn1 795175729 YIKNGFVWSWODKW-IBGZPJMESA-N 442.589 2.411 30 10 IEEE C#CCN(c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CC=C)[C@H]1CCS(=O)(=O)C1 809908430 RIFSJDFLZUXSBJ-UFYCRDLUSA-N 426.542 2.336 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(OC)nc2OC)C1=O 809942215 QSYDHODMZRPCTD-MRXNPFEDSA-N 439.497 2.238 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 812195615 CYJWSNYDAZBNGC-YHUYYLMFSA-N 437.541 2.443 30 10 IEEE CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1C#N 1136316064 QINMKXUABNRMJS-MRXNPFEDSA-N 428.352 2.184 30 10 IEEE Cc1cccc2c1C[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N2C(=O)OC(C)(C)C 1136672332 KDDAXJDKGRGQMI-RWNPKEDZSA-N 440.500 2.304 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CC1 1140626441 GFOLAUMYZPMVLP-UHFFFAOYSA-N 432.436 2.010 30 10 IEEE Cc1ccc(C#N)cc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1150811549 YVJCQFGJUMPIFX-UHFFFAOYSA-N 433.253 2.224 30 10 IEEE CN(C)CCOc1ccc(CCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1153866280 MXOQGTDOVLNNGW-QUCCMNQESA-N 430.549 2.435 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cc2c(s1)CCCC2 1157768472 PXKUJYQQPCFWBV-CYBMUJFWSA-N 431.539 2.164 30 10 IEEE N#Cc1cccc(-c2nc(NC(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)n[nH]2)c1 1184482670 QSUQXTJMJNQQOU-UHFFFAOYSA-N 436.497 2.455 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)C1 1225936110 DBHBZRIPERBUOG-BLLLJJGKSA-N 445.451 2.367 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1264988468 NBYQXFOYURKADE-GOSISDBHSA-N 446.598 2.050 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1286397985 FPGMCVDKMJOXSS-SLFFLAALSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[S@@](=O)C(C)(C)C 1286426451 WAPXCBPEZDXDEE-SSEXGKCCSA-N 429.546 2.016 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1286441929 HEPHOAZGUVVFBJ-SFHVURJKSA-N 425.562 2.273 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286442711 KAONRHTYIYABME-UYAOXDASSA-N 442.589 2.312 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)CC1 1286470263 WAXKAOOMZFDKGE-QZTJIDSGSA-N 436.560 2.104 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286495952 JJZOCGQQTQAJJF-UHFFFAOYSA-N 428.562 2.310 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286505866 MKSMXUBPMAHXQV-UHFFFAOYSA-N 429.594 2.277 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286507365 YYNQTQKZTHSEPG-PKOBYXMFSA-N 430.578 2.333 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](COC)OC 1286516980 BCTRWNVSTMIQGW-LAUBAEHRSA-N 432.546 2.002 30 10 IEEE Cc1csc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1290334560 ZWUUHXLBUVPTJG-ZDUSSCGKSA-N 434.547 2.408 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1296619503 CIENUSCPDMVVAG-XZOQPEGZSA-N 444.580 2.463 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1297823370 MNEOSTKVXKSKJM-LHKPXFIQSA-N 443.573 2.095 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 1300410229 MFMMPOZQIPIDGB-QGZVFWFLSA-N 437.591 2.112 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C(C)C)N1CCOCC1 1300465446 NGSLALHLAXHREQ-RXVVDRJESA-N 425.533 2.217 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccccc2C)CC1 1300685923 VCIFYEHDTKEQRP-DEOSSOPVSA-N 439.560 2.073 30 10 IEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCS(=O)CC1 1300861327 GOKJPMHSCBQDMJ-UHFFFAOYSA-N 429.315 2.474 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301261109 BXTZEDUCQXMVCV-NHCUHLMSSA-N 432.613 2.327 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301489918 GTPMSWBUHYVWPT-JOCHJYFZSA-N 425.464 2.386 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)NC(C)C)C1 1301546665 UPCMAODJQNLLDO-GOSISDBHSA-N 433.578 2.363 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1302225560 UXOQMUBIFZXEDF-IXFSTUDKSA-N 441.532 2.252 30 10 IEEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1305310617 HIQVQLRATSNENW-QHCPKHFHSA-N 448.531 2.006 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)n(Cc2ccco2)c1C 1308140901 MWCCPGUSGPBRBW-NHCUHLMSSA-N 425.533 2.087 30 10 IEEE COC(=O)c1nc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1Cl 1312469426 LCWDARNPTUVDHA-FZMZJTMJSA-N 437.884 2.080 30 10 IEEE COc1ccc(CNC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1C#N 1313213764 RIFONQQVSGFGHS-CQSZACIVSA-N 430.262 2.087 30 10 IEEE CCOCc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1314320935 YVKKGBYMESBYLP-WXHUYXHNSA-N 428.537 2.356 30 10 IEEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c(OC)c1 1315463996 IBHDNQFUJUXATB-UHFFFAOYSA-N 438.532 2.400 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 1352234367 AQJQHQZYCGEJAM-UHFFFAOYSA-N 428.346 2.044 30 10 IEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1358954379 GFTZUIJNLIFMOH-UHFFFAOYSA-N 434.587 2.473 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1358988345 LVZPNXJUIAAMLM-QGZVFWFLSA-N 426.318 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(O)(CCC)CCC)CC1 1359044260 ARUHSPNSZLYVIV-HXUWFJFHSA-N 445.608 2.469 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1NC(=O)NC1=O 1359109032 NCKOCIHPXMNDHE-INIZCTEOSA-N 427.465 2.244 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1359215638 GMJMDGXWZHEUQC-FQEVSTJZSA-N 441.532 2.488 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1359226351 DFAYDJUPIFLIIX-LJQANCHMSA-N 443.523 2.476 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1359240806 XSFASHHAUMLLKD-INIZCTEOSA-N 441.598 2.450 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC)C1CC1 1359245769 DASQRYGNQMVGLL-UHFFFAOYSA-N 436.520 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1359335309 HRVCHPOFPDMPSP-DYESRHJHSA-N 440.610 2.403 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C#N)cc3F)CC2)cc1OC 1360872054 FYPBIMCPMMYWSE-UHFFFAOYSA-N 447.488 2.298 30 10 IEEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)cnn1C 1360976084 BTAODWYTJZXMLO-UHFFFAOYSA-N 431.504 2.189 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1 1441015548 YRDKAXCHEYQOIK-DOTOQJQBSA-N 445.463 2.281 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)s1 1443247563 SFHHXBOVCZUQJT-UHFFFAOYSA-N 447.538 2.473 30 10 IEEE CN1CC[C@](Cc2ccccc2)(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1447623816 BPTSTHVEMHMFPF-OFVILXPXSA-N 430.508 2.261 30 10 IEEE CC(C)NC1(CO)CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 1449953454 NBKBYHBRPMNVQB-UHFFFAOYSA-N 440.504 2.337 30 10 IEEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1460119683 CXMTXENFEVZFSM-VCBZYWHSSA-N 427.892 2.335 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 1464728277 FMZVBNQBFYITIH-UHFFFAOYSA-N 441.329 2.395 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(OC)c(S(C)(=O)=O)c2)C1=O 1467660968 GHZRCPXVSPXWII-HXUWFJFHSA-N 439.534 2.415 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC)ccc1Br 1468478496 MFAHIPMZPGZSED-OAHLLOKOSA-N 429.336 2.497 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1469674052 GSOIEQONGYFGRQ-OAQYLSRUSA-N 441.576 2.190 30 10 IEEE N#CC1(CNC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)CCOCC1 1471572954 RXXUVXHNWQRPAT-UHFFFAOYSA-N 435.322 2.123 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCO[C@](C)(C#N)C1 1472149489 RHJWWKJYKIKCHT-HTAPYJJXSA-N 431.489 2.154 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1478403072 HTHQAZXIPYKSCE-LSDHHAIUSA-N 430.534 2.210 30 10 IEEE C#C[C@@H](NC(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1)C1CCOCC1 1479007692 MOAGOVJPSLZYEX-UXHICEINSA-N 433.936 2.310 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(C#N)o1 1497062023 QTYGVBGZMRMRBF-UHFFFAOYSA-N 435.479 2.097 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507623040 OHGKYVAOLKGZIF-UXHICEINSA-N 435.638 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)nc2ccccc12 1507667947 USJGQYKUSWAJOH-HXUWFJFHSA-N 428.496 2.297 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCCC2=O)CC1 1507724307 MYDCXGVQBJNUEV-UHFFFAOYSA-N 438.551 2.166 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507747721 KFHAFBFUCDTMMH-MRXNPFEDSA-N 438.561 2.281 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507858613 GVFYKUMBWKNEIX-LJQANCHMSA-N 439.951 2.312 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1508020458 HUSSVAZOKHDLJG-UHFFFAOYSA-N 434.342 2.238 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508081747 OGKLUXVYBYAPHQ-QGZVFWFLSA-N 442.539 2.076 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)c1 1511218644 ONRNAFMLYKSNFV-IBGZPJMESA-N 447.561 2.109 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)c1ccsc1 1516540065 TVASWDURMOQXNY-OAQYLSRUSA-N 440.529 2.319 30 10 IEEE CN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1517131958 INCAGOGRSRQNOM-LSDHQDQOSA-N 431.500 2.446 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1520539199 KPOKGFDCTDSLEQ-UHFFFAOYSA-N 448.618 2.430 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCOC2)CC1 1521138075 XSIOKWRPHRKQTE-LJQANCHMSA-N 430.553 2.087 30 10 IEEE CS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1526011515 BBTIYAAXHKYDTC-HNNXBMFYSA-N 431.901 2.284 30 10 IEEE COc1cc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)ccn1 1527273468 CTQVWAWWWBJKMR-PTGBLXJZSA-N 432.502 2.058 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1Cc3cccc(C#N)c3C1)n2C 1530455965 QLZUCJMDXNIADZ-UHFFFAOYSA-N 437.525 2.170 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1 1534204371 FKHSVNBHYDEUNG-FQEVSTJZSA-N 428.514 2.090 30 10 IEEE COc1ncc(NC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)cc1C#N 1535491202 UCKGSGMFZUKYRZ-SECBINFHSA-N 429.230 2.348 30 10 IEEE CSc1ccc(CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1537964786 OWQVQRGCZHBUIL-CQSZACIVSA-N 432.546 2.364 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C#N)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 1538508831 KXRWMIRTNNZDKV-OAQYLSRUSA-N 430.482 2.179 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1 1538934193 VHQSQRGEFJHLGU-UHFFFAOYSA-N 430.433 2.271 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539221008 XUAIFKOZMLISIV-GOSISDBHSA-N 448.564 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539338386 ZSWQZSIFUQERRL-UHFFFAOYSA-N 435.572 2.283 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539454216 ZZVQSARANXNGQX-QHCPKHFHSA-N 442.608 2.201 30 10 IEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1539599525 GYJKBZAZUZUXPZ-UHFFFAOYSA-N 434.404 2.247 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 1539606324 CVQKVJKPKWNXNJ-UHFFFAOYSA-N 442.358 2.144 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540005323 KHESKIZHCMCRLV-UXHICEINSA-N 430.597 2.271 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NC(C)C)C1 1540893207 YPUGPCPMGFPPBL-VQIMIIECSA-N 427.505 2.097 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1540919997 KYYBBULRCXZZPO-NRFANRHFSA-N 435.594 2.094 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1541039255 BBRAYBDMFZGLLR-GOSISDBHSA-N 435.488 2.178 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C)S(C)(=O)=O 1541124802 WYZNHMCRRZVQJT-OAFZBRQQSA-N 431.562 2.500 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccsc2)CCOC1 1541732788 HKLJTSUPOAIZLB-IOMROCGXSA-N 447.561 2.017 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOc1ccccc1 1541926799 YIRUTSIXKVDBHV-KRWDZBQOSA-N 446.577 2.487 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C2/SCC(=O)N2C)cc1 1543335182 IKCLUXSTEKWWOW-VUSHSRTPSA-N 436.559 2.265 30 10 IEEE COc1cc([C@H](C#N)NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc(OC)c1OC 1544487229 UTCUIXPFEGTKOA-CABCVRRESA-N 446.481 2.018 30 10 IEEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1546337519 QYPDGIUYXHHBNP-RHSMWYFYSA-N 438.550 2.359 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)noc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367909 VQORBOHIGZFLNT-SFHVURJKSA-N 449.433 2.188 30 10 IEEE CN(C)c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1552835368 WMOJSUKYDJOXKH-INIZCTEOSA-N 439.470 2.385 30 10 IEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1554607362 GRQOQHLEUIUKGT-FUHWJXTLSA-N 438.532 2.259 30 10 IEEE COCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555472199 RKRMOOWPYUYOLW-IBGZPJMESA-N 442.568 2.187 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1C 1555555588 FCMHHUFRXAVAPY-CRAIPNDOSA-N 432.550 2.143 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCNC(=O)c2cc[nH]n2)cc1 1555988430 AVVJTRYHBNJDSX-UHFFFAOYSA-N 426.431 2.205 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCC2)CCO1 1555992085 GGRUHILXOGWEMF-HNNXBMFYSA-N 434.342 2.250 30 10 IEEE CN(C)C(=O)O[C@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1556708776 FONVTQWZKDSFMG-INIZCTEOSA-N 426.433 2.285 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 1557182751 RTCFFQGADMJYCJ-VGSWGCGISA-N 441.553 2.415 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 1583870203 CQLDNCDDYBKITL-NQIIRXRSSA-N 440.569 2.000 30 10 IEEE N#Cc1cc(C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cnc1C(F)(F)F 1587249822 UHXHYORKSQBMMG-IYBDPMFKSA-N 428.370 2.229 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1587567851 KYHHISDCXWUJBQ-SBUREZEXSA-N 426.517 2.482 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1587750126 RUYMNOBGBXALNE-NRFANRHFSA-N 431.544 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)[C@@H](C)CC 1588099478 OBTWHLULYZVSQY-FXAWDEMLSA-N 428.558 2.483 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC=C 1588445325 KPCCPOXSLYFJHC-UHFFFAOYSA-N 432.322 2.381 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1588458594 HPGMHMWKOCUUEL-HOIFWPIMSA-N 433.553 2.350 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2nc3cc(OC)ccc3n2C)n1 1588722864 HNVAAPHJUAAIPO-UHFFFAOYSA-N 448.531 2.013 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cn(CCCC)nc2C)CC1 1588848488 HSJIPQAARPGGQG-UHFFFAOYSA-N 432.576 2.372 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1594687264 KSQSCYAWRAEQQB-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595506636 HSHJUEDZPJWBOI-LHSJRXKWSA-N 449.914 2.424 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1595555871 JXEKDHFAYAKYBH-QGZVFWFLSA-N 444.511 2.025 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1C 1595799394 ZQSSAJXCEOCSQJ-KRWDZBQOSA-N 445.593 2.042 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCc3nc(C#N)cs3)c2c1 1611469895 MIJUXZNWBIITBQ-UHFFFAOYSA-N 445.526 2.229 30 10 IEEE CCc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3CCO[C@H](C#N)C3)c[nH]c12 1613805254 DMZOQOJCAZETHK-GOSISDBHSA-N 435.532 2.431 30 10 IEEE COC(=O)c1cc(Br)c(CN(CCC#N)CCN2CCOCC2)cc1OC 1615743753 GIDWIXYYICXKME-UHFFFAOYSA-N 440.338 2.292 30 10 IEEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CC1 1618029707 BXBNTNODWPXSEN-UHFFFAOYSA-N 443.594 2.276 30 10 IEEE C#CCN(CC#CC)C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1618792559 RPGAPCIAJZVJDE-QHCPKHFHSA-N 443.503 2.254 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1623659103 KOPBVTJGJDIMRW-CGTJXYLNSA-N 442.375 2.197 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)s1 1630375391 CWSDUWYFTUZOOI-CQSZACIVSA-N 434.461 2.022 30 10 IEEE C=CCCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1632307856 SUDPOQZCRFIBRV-OWCLPIDISA-N 432.608 2.082 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4nnc(N)o4)C3)C2)C1 1642473265 STAJBZQAFPHGJM-DNMKQRRRSA-N 430.509 2.145 30 10 IEEE C#CC[C@]1(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1644234233 MNNHHAVTHMFCRQ-JOCHJYFZSA-N 447.557 2.012 30 10 IEEE CN(C)C(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1644666089 TWLIJAAGYJVODR-ROUUACIJSA-N 441.576 2.156 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1645085759 VVNMQHQUULIMGW-FUHWJXTLSA-N 427.530 2.032 30 10 IEEE C#CCN(C(=O)c1coc(S(=O)(=O)N(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973668 SHUYMFDHOJTCMO-UHFFFAOYSA-N 439.534 2.005 30 10 IEEE C=CCCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1652014482 ZAMXJKGAHAZOIF-OAHLLOKOSA-N 447.351 2.084 30 10 IEEE CN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C[C@H](O)c1cccc(C#N)c1 1654149243 ZZBIFDMOJKPZGY-FQEVSTJZSA-N 435.463 2.154 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=O 1656137912 OWBZRPYGDLZRGC-UHFFFAOYSA-N 441.491 2.445 30 10 IEEE C#CCOc1ccccc1CNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1660268769 KRLJHFWJHYRYGP-UHFFFAOYSA-N 441.278 2.178 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1679562393 ZKLVYSWTLBACMT-IBGZPJMESA-N 431.562 2.060 30 10 IEEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1684684664 IDWLTRBPPOHZGK-FCHUYYIVSA-N 435.528 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(=O)(=O)CC 1690006152 JMKLGHOGTSJOOW-UHFFFAOYSA-N 445.614 2.288 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(C)(C)O)c2)CC1 1690112228 RSVNUXKULKKQGA-LJQANCHMSA-N 441.576 2.033 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC(C)C 1690559574 HEUAPMNWSBOSSX-IBGZPJMESA-N 435.532 2.208 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(F)F)C1 1690673871 HXACVAAUPATSGZ-HNNXBMFYSA-N 429.475 2.300 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690753005 XLSCCFDKTSWJFP-RYLXDESZSA-N 438.594 2.306 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)CCCO1 1693836718 WXWDAYXGCBVOCH-KRWDZBQOSA-N 431.562 2.460 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1OC 1696913135 CKJURJZOULLIOK-YVWKXTFCSA-N 440.548 2.362 30 10 IEEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCC1 1697801562 BYBPDQMSXIYJPN-INIZCTEOSA-N 446.577 2.213 30 10 IEEE COCCCn1c(Cc2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698002032 NJUCQXYAWCCGMJ-UHFFFAOYSA-N 434.500 2.449 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccccc1Cl 1705601130 YYVZDCUCXMCRGQ-QHCPKHFHSA-N 439.947 2.425 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1705626749 HXPBJXOXIIYRHW-AWEZNQCLSA-N 444.442 2.104 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCCn1cnnn1 1705860073 NIUGVLKVSPXXIZ-UHFFFAOYSA-N 426.488 2.481 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)C1 1705916665 QPTCYHKDQIFQAQ-ZBFHGGJFSA-N 425.580 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CCN(C)C)CC2)C1 1705924309 BWUAVOIAELZJRG-FCHUYYIVSA-N 446.640 2.227 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1705936851 ZKMAEEIBOKWVTP-ROUUACIJSA-N 434.566 2.196 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOc1ccc(OC)cc1 1709141690 BGMSTNOZGYQAPT-KRWDZBQOSA-N 448.531 2.305 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)C1CC1 1711563015 FVIVABQCHKGKLP-RTBURBONSA-N 429.546 2.113 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1711588552 GRQFHBABYNBQAE-RHSMWYFYSA-N 429.443 2.402 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1F 1711815309 HQPKLEWTCCZHSX-GOEBONIOSA-N 435.525 2.309 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722315269 KNIHTQTXEWBLSO-HZPDHXFCSA-N 427.509 2.117 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722335745 PEOKDEDSDGGLOJ-PMACEKPBSA-N 426.609 2.271 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1cccn1 1722353355 OEQRYFOXGHAMNO-UHFFFAOYSA-N 430.516 2.421 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722367537 MDTUFLINTZHODK-GOSISDBHSA-N 443.573 2.234 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722460600 YREQQQFXEBCZST-QRVBRYPASA-N 449.621 2.254 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722538605 ZEOKSIRAORHMQG-SFHVURJKSA-N 432.594 2.462 30 10 IEEE C=C(C)Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722553065 BIOPLOSXJCRTBZ-QHCPKHFHSA-N 437.548 2.488 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722698446 ZFSHMISFGKQPTN-UHFFFAOYSA-N 439.564 2.050 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722700148 XZYMYVCVMWCPER-KRWDZBQOSA-N 442.539 2.003 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1722865028 COWZVYSXVDXQPJ-SFHVURJKSA-N 448.575 2.279 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCC(=O)N1CCOCC1 1729396405 DQUVEEQLIDCLHH-UHFFFAOYSA-N 445.527 2.021 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C)CC1 1730871684 VTSBOIDVMYMDBD-SJORKVTESA-N 440.552 2.179 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1740671735 NMMGPUKZYHETNW-HKUYNNGSSA-N 427.574 2.091 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC2CCOCC2)CC1 1740768766 XMRURZQOMSHKQB-RBBKRZOGSA-N 433.597 2.344 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1741801321 AVLZFSZXDNCKJW-SFHVURJKSA-N 432.532 2.282 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1747731784 YYROXUKNCVAMLL-RBUKOAKNSA-N 429.546 2.115 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(C)CCCO2)c1 1748692282 FQDOLGIWZVXLMN-QHCPKHFHSA-N 433.516 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1748842612 OVZKLNZWXKBZJY-UHFFFAOYSA-N 440.511 2.104 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1SC 1748962726 PDQHHJLUGXADEN-SFHVURJKSA-N 448.614 2.345 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749204624 OOXFVINDLUNWIU-JOCHJYFZSA-N 442.495 2.387 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749425133 WKQDBAIHFMOEJC-HSZRJFAPSA-N 435.532 2.121 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC)CCOCC1 1749600413 XWZIOAJKYIVORL-KRWDZBQOSA-N 426.583 2.026 30 10 IEEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1750041006 ZHCWCAIBPZJFJN-MBSDFSHPSA-N 438.532 2.433 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1750060092 WIGMJAUQXDTCDU-AWEZNQCLSA-N 441.927 2.049 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1750390345 KJAPRBRLBJHHDM-BWVDKLOVSA-N 439.520 2.176 30 10 IEEE CC(C)OCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1751041288 UCIKUCHLBUDFME-QFBILLFUSA-N 426.587 2.224 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1760182637 HNGFOUWXIWVWSK-SFHVURJKSA-N 441.582 2.339 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760354278 UVYQQPZLEMBOIH-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1760445711 SSIVKDFRUBIEBL-UHFFFAOYSA-N 445.593 2.198 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760522310 QQYNJPWWXJUELV-MDZRGWNJSA-N 427.505 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)CC)C1 1760537032 LJSHRTCFVPYUPP-CQSZACIVSA-N 437.342 2.295 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760564499 AQPIJOLFLAKXMQ-SFHVURJKSA-N 446.621 2.377 30 10 IEEE Cc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)s1 1762252064 FHASJGGMSRARNQ-INIZCTEOSA-N 434.591 2.432 30 10 IEEE C[C@H]1CCCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 1762915727 KTMXBBHKVYYYQR-LPHOPBHVSA-N 425.493 2.314 30 10 IEEE CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cn1 1764614839 BBBJZVVZEDRQJI-OAQYLSRUSA-N 427.484 2.075 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2Cc2ccc(C#N)o2)CCOC1 1765832811 OMJVNRGOQSTQJS-HXUWFJFHSA-N 445.911 2.466 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1769586315 GNBVBTYMTOBOGV-YLJYHZDGSA-N 429.521 2.394 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(OC)nc1OC 1770177658 QLYRTNNISXWYMM-HFTRVMKXSA-N 430.509 2.058 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1771273493 SKBDODWSCNWAKX-UHFFFAOYSA-N 438.532 2.071 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](C2CCCCC2)N2Cc3ccccc3C2=O)NC1=O 1851144460 LARDJMZFJXYSTP-IBGZPJMESA-N 436.512 2.302 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3nccc(-c4noc(C(F)(F)F)n4)n3)CC2)cc1 1851317345 QZVHKDPIFCMQJI-UHFFFAOYSA-N 429.362 2.379 30 10 IEEE CN1O[C@H](CC(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)N(c2ccc(Cl)cc2)C1=O 1851569248 JFQZJWCOPZXDCD-SJLPKXTDSA-N 443.847 2.490 30 10 IEEE N#Cc1cc(Cl)c2nc(C(=O)NCCn3ncc4c(N5CCCCC5)ncnc43)cn2c1 1851915437 UXOFFTKYUBQODG-UHFFFAOYSA-N 449.906 2.419 30 10 IEEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)Nc3nccc(C#N)n3)c2C)C1 1852814174 IZVAPXMNCWNXJI-ZDUSSCGKSA-N 435.410 2.383 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 1862627238 KWNBBTCTCYKFNC-IBGZPJMESA-N 426.400 2.269 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862695799 ITWIDMFQTMLXRG-ORAYPTAESA-N 425.437 2.441 30 10 IEEE COc1ccc([C@H](C(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)C(C)C)cc1OC 1866992805 XEWBCVWHPHKJHS-GHTZIAJQSA-N 425.485 2.431 30 10 IEEE O=C(NCC#CCN1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1889710132 HCXPRVCRQIUGNK-UHFFFAOYSA-N 437.993 2.346 30 10 IEEE C#CC[C@@](C)(CO)CNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2025332598 YTKDZZVBFGTDPY-RPWUZVMVSA-N 429.561 2.294 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)CO1 2054340414 AGRYEZGXXGYZNT-CYBMUJFWSA-N 439.372 2.373 30 10 IEEE CC(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)=C1CN(C(=O)OC(C)(C)C)C1 2060635198 JKKUJWZWYFKGCH-UHFFFAOYSA-N 430.314 2.282 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)no1 2124537265 WWILGXBBSWDMRU-UHFFFAOYSA-N 445.285 2.041 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2243372175 MMDPKFFUTNINIK-UHFFFAOYSA-N 437.305 2.132 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255628637 KNNSBKKANOCKBV-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255633307 ZAHLUUUSXUAXKQ-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE Cc1nc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255645668 IUANKOIORSJGQK-CHWSQXEVSA-N 449.382 2.346 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827670 ZRXYIGQLCJEPCR-KBPBESRZSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256624959 ZITISQGQVPIOIP-AWEZNQCLSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258961139 OZHKJWJUXYQGSW-UHFFFAOYSA-N 432.330 2.232 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(N(C)C(=O)OC(C)(C)C)CC1 2267125982 XFEBSLGUSHUMAE-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE Cc1c(C(=O)NCc2cnn(Cc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267144260 UAMYPTHUXLFPBP-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 2267272964 GONYMEGOBAHUAC-SJORKVTESA-N 440.353 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H](O)C1 2267275954 VJTGUQWYVPAFDX-SFHVURJKSA-N 446.353 2.040 30 10 IEEE Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2267603634 GLGWYWJGFZJMNC-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267611955 DZRBLWITBRLGEU-DOTOQJQBSA-N 443.353 2.462 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCOC1 2268716115 MCEHSTSYEYYNQK-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2268722021 UDWXSDUEOBDPAJ-UHFFFAOYSA-N 447.345 2.244 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2269702396 GTLRLLDOBIYCKS-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(CO)C2)c1 2297649089 QEUBKHUSALYRNE-YWZLYKJASA-N 433.434 2.272 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2cccc(Br)c2C#N)C1 2379813630 MNSGFKIEEWAYDC-INIZCTEOSA-N 435.322 2.492 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1 20527377 DATLDVJLVQBAEA-AWQFTUOYSA-N 443.445 2.035 30 10 IEEE Cc1ccnc(NS(=O)(=O)c2ccc(N/C(O)=N/S(=O)(=O)c3ccccc3)cc2)n1 34826934 WBICNJRBCWYQGF-UHFFFAOYSA-N 447.498 2.301 30 10 IEEE CCOc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)C2=O)cc1 238815081 BGHLTAWJFMIUNO-HXUWFJFHSA-N 435.484 2.274 30 10 IEEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCCOc1ccc(C#N)cc1 438290144 MWCOTICTPNZYPB-UHFFFAOYSA-N 432.502 2.408 30 10 IEEE Cn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 446167053 FLPZAIHMWOPAKA-UHFFFAOYSA-N 436.493 2.219 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCOC)[C@H]1CCOC1 460768821 GKUUCWQELFYGRV-IBGZPJMESA-N 427.553 2.270 30 10 IEEE Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4cnc(C)c(C#N)c4)CC3)n2)cc1 489070635 IJAONNXSBWQIIN-UHFFFAOYSA-N 438.513 2.127 30 10 IEEE Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 507849961 DYQUYFDUGPUCDW-UHFFFAOYSA-N 447.524 2.346 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 508493163 KZAAQQHCDFOBDH-QGZVFWFLSA-N 435.536 2.238 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@H](C(=O)C2CC2)C1 513704251 GCTDHKNOCIXIAY-INIZCTEOSA-N 437.290 2.305 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@H](C(=O)C3CC3)C1)CCCC2 514220907 CWUMMVPRRBBDTM-UTKZUKDTSA-N 440.544 2.036 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)cc1C#N 522994584 AHHAWJQSYPTFFS-OAHLLOKOSA-N 440.525 2.441 30 10 IEEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544863662 TXHRJHIVFWUZFY-OAQYLSRUSA-N 438.507 2.265 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 555253908 VCJNCAFDQHQMMQ-IBGZPJMESA-N 445.951 2.487 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 561995869 CVZKTOIAJRDTAN-QGZVFWFLSA-N 425.938 2.195 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 588235327 BJQTVLWNLRXBKN-QGZVFWFLSA-N 444.517 2.138 30 10 IEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)C)C[C@@H]2C)CC1 619850335 FZUJOQAXAOJOHW-PGRDOPGGSA-N 435.576 2.462 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 726180232 YJIXNMITQHKOSP-QGZVFWFLSA-N 442.585 2.159 30 10 IEEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CCC2)c1 730463075 RSMXGBPSXMDTLY-GOSISDBHSA-N 434.562 2.256 30 10 IEEE COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)c1C 732650088 ZUGWMHUOHNKXBS-OAQYLSRUSA-N 435.528 2.407 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 734292294 JHHNTCYDNBBYPI-IBGZPJMESA-N 425.510 2.153 30 10 IEEE CCn1nc(C(=O)[C@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 735770061 PWOLUBZFEOKGIB-KRWDZBQOSA-N 448.479 2.115 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1Cl 743736126 NOISIMSQNPQBGA-QGZVFWFLSA-N 436.965 2.371 30 10 IEEE N#Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 746571133 YNRPEYVOGZBOEH-UHFFFAOYSA-N 426.372 2.325 30 10 IEEE CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](COC)Cc1ccccc1 746619401 RBSOEHKHIRCQQW-SFHVURJKSA-N 429.542 2.221 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)OC)cc1 749622624 NPVJAUSEDJSNCS-QGZVFWFLSA-N 428.510 2.050 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cc1 751621448 BGCRPSRXTQYWNF-RRGWEWPQSA-N 431.495 2.353 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1 752611460 UVDMDNDKLDLEFL-IFXJQAMLSA-N 430.482 2.370 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 757211368 SVRHMMLVHRWTBB-IAGOWNOFSA-N 443.552 2.358 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cc(-c2cnn(C)c2)no1 769069455 LBWLMRYCCHDERK-HSZRJFAPSA-N 447.451 2.283 30 10 IEEE C#CCN(C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 769533327 FPQXWGIVPHEMDN-IAGOWNOFSA-N 431.480 2.140 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1C#N 777849517 WEKOXPRDZKPDOB-XQNSMLJCSA-N 445.526 2.446 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)cc1 778679528 ANEZPHCZSURGTJ-UCFODXPJSA-N 446.492 2.469 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 780213937 JPQMVWHJTXFELS-SFHVURJKSA-N 449.294 2.185 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780983765 PTJBUPDAXYMVOB-UXHICEINSA-N 427.888 2.304 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1nnc(C2CCC2)n1C 783117456 MGGUMDRBCACHGN-QHCPKHFHSA-N 435.484 2.291 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)cc(OC)c2)n1 788693406 BFQFRORVINLBRR-UHFFFAOYSA-N 442.335 2.125 30 10 IEEE C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)n1cnc(C#N)n1 798971653 XPTSSVYBYVJGMX-PBHICJAKSA-N 427.509 2.159 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc1 801114299 NQDYOPZATBRHIV-UHFFFAOYSA-N 441.528 2.405 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1C[C@@H]1CCCS(=O)(=O)C1 807930449 SJNYWHDTQVHAOI-YJBOKZPZSA-N 449.598 2.420 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(F)cc1 812935241 AHANGDDZQNXUBF-UXHICEINSA-N 438.507 2.095 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 823913750 BVTLTUBJTYFSJI-OAHLLOKOSA-N 435.436 2.170 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCNC(=O)c2ccccc2)c1 916693620 OUOGKJJDRLOBGB-NCELDCMTSA-N 443.529 2.051 30 10 IEEE CC(=O)Nc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(F)cc1F 921168522 BMDUGPPRDQJTOU-UHFFFAOYSA-N 436.440 2.381 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1O 1083856677 HXPFKLUSHKKAOK-UHFFFAOYSA-N 431.453 2.022 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1128907184 IWXNULULZRPYBC-UPJWGTAASA-N 427.452 2.471 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2cccc(CC#N)n2)C1=O 1133015289 ZIAVWEXLYNKATR-IBGZPJMESA-N 442.273 2.316 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@@H]([C@H]2CCCO2)C1 1133978777 UAHKIQHTVGSAQX-NSISKUIASA-N 439.516 2.110 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)n1 1136554099 HEJOSFLZXPYNRA-HXUWFJFHSA-N 440.554 2.197 30 10 IEEE CC(C)(C)OC(=O)CCC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1146682346 XRQZTEVPLCVXNT-UHFFFAOYSA-N 435.546 2.086 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC2CCCCC2)C(=O)OC)s1 1154297590 OQMLVVBMJIJWSX-INIZCTEOSA-N 428.576 2.383 30 10 IEEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1 1176294646 RICBGAUHBFAJIW-UHFFFAOYSA-N 434.411 2.170 30 10 IEEE COCCN1C(=O)CCc2cc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 1216819326 DCFVUUGEWMRHAK-UHFFFAOYSA-N 434.500 2.233 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1225937233 IILCADZREZQFDL-BZSNNMDCSA-N 439.520 2.298 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)n1 1234394039 FDGBVLFQMDYCNP-OAHLLOKOSA-N 428.518 2.415 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)ccc1F 1277604741 YPIOMJXNJZAYNJ-ZWKOTPCHSA-N 446.500 2.319 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)N1CCOCC1 1286464302 ZXQHDRUIZMWQIO-LJQANCHMSA-N 434.544 2.300 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1286564598 GWWWHBNIPCBBBS-WIYYLYMNSA-N 441.557 2.279 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1286701028 UPRLSISEOGGMEI-MOPGFXCFSA-N 447.609 2.271 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286790923 LHUISNDBYOXYCT-YLQYIJTPSA-N 431.487 2.047 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1 1289917238 KGFBWUDBERMOFX-DENIHFKCSA-N 441.509 2.291 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1296390454 AFFINKZNZSAJKC-YWZLYKJASA-N 430.488 2.338 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H]1OC 1300285258 ZGWRVWJBJVCRFI-ILZDJORESA-N 445.589 2.468 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1300496045 NFHQHBLFCNGSTF-IRXDYDNUSA-N 438.619 2.085 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1300602184 AAHXZQBPIAWJDH-NZQKXSOJSA-N 433.597 2.135 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2(O)CCCC2)n1 1300680423 AYCQZOSJXFMOED-FQEVSTJZSA-N 442.564 2.308 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cn(CCCC)nc2C)CC1 1300706435 MAXKDSWDYQNGRR-UHFFFAOYSA-N 449.607 2.248 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2OCCC2(C)C)CC1 1300722383 JKUZWJROPUWYIR-MOPGFXCFSA-N 429.565 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC(=O)N[C@H](C)CC)CC1 1300729113 NFPAFRNKFOUIQZ-GOSISDBHSA-N 442.608 2.281 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1300767197 SMTHZBVKUXVRHY-OAHLLOKOSA-N 433.603 2.442 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1300868500 FBQQUTNXEULILZ-YFVAEKQCSA-N 441.532 2.395 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)=NO2)C1 1300987852 CFBMXFQIFRALIA-UHFFFAOYSA-N 440.500 2.446 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1300991867 WRZHRLIVMVQCBH-UWJYYQICSA-N 440.610 2.414 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC(C)(C)C 1301411582 ZRNOGFJLQHAEMZ-KRWDZBQOSA-N 428.537 2.362 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1301484347 FSAXGPXDEUAGGC-JKSUJKDBSA-N 431.562 2.133 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301569187 SALRJZOGJRVZEO-JKSUJKDBSA-N 441.598 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301569276 UTDMKMKPHPNTBB-MRXNPFEDSA-N 427.571 2.023 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(CO)(NCC4CC4)CC3)C2)C1 1306866289 BRNWFTJYPVAAEQ-FVRICEFQSA-N 446.592 2.126 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccsc1 1314389461 ZCQABTSLLNJRTO-UHFFFAOYSA-N 440.577 2.359 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1315817936 XRRQOAWWBJVBSL-CTNGQTDRSA-N 442.539 2.350 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 1318039972 GDMIXZWVFUQPNC-LASWEOPPSA-N 427.548 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1358884252 MJAPHRBGPYQEQS-KRWDZBQOSA-N 426.546 2.142 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1358920762 HJQWTAKMWHJNRO-ZWKOTPCHSA-N 427.553 2.337 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1358964745 GOAVNFCHHVHEBP-SFHVURJKSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCCC 1358968477 MZYPWGJAOVZCIC-UHFFFAOYSA-N 429.484 2.230 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(CC)CC 1358975831 GFSRXFJBZPJDNT-SFHVURJKSA-N 441.605 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCO[C@H]1C 1358998263 XOJORWXIDGCYBP-CYFREDJKSA-N 438.528 2.259 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1359133093 LLLFFCHJBGSINS-OAHLLOKOSA-N 425.580 2.174 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)COCCO2)CCOC1 1360340789 FNWPQXYVWMGCJW-YPAWHYETSA-N 433.553 2.254 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCn2ccnn2)CCOC1 1360341143 LEPNFNYUDXOKSS-SFTDATJTSA-N 428.541 2.131 30 10 IEEE C#Cc1ccccc1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1455103793 AYQQGUSXWVJPAN-AQNXPRMDSA-N 439.512 2.251 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@]1(O)CCc2ccccc21 1460281363 FUCPDZWNUOPCEA-ILBGXUMGSA-N 436.531 2.300 30 10 IEEE N#C[C@]12CN(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1460882177 MYZOCSPBOGGGQT-WMZHIEFXSA-N 439.537 2.464 30 10 IEEE C=CCN(Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1461944917 XTVNYWXXCHOLLE-IRXDYDNUSA-N 439.582 2.025 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(O)cnc4c(F)cccc34)CC2)cc1 1464033996 MCJGPXLNBRXTDV-UHFFFAOYSA-N 440.456 2.098 30 10 IEEE CN1CCn2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2S1(=O)=O 1464773888 KKQKXGGPMZTRFL-UHFFFAOYSA-N 437.481 2.220 30 10 IEEE C=CCn1cc(CNC(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)nn1 1478855850 ZLIJZYGEPJZSCP-UHFFFAOYSA-N 441.355 2.136 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cc2cnccc2o1 1479170895 VPUOIJHWXGNABR-OAHLLOKOSA-N 439.497 2.477 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCn1ccnc1C 1499164378 MEERRQZSZIWLFN-QGZVFWFLSA-N 434.552 2.203 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1502375816 OUBFNXVTFLEFKM-DLBZAZTESA-N 438.488 2.093 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1504888658 XRWYYDWZOLCIES-QGZVFWFLSA-N 448.568 2.284 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507638179 PCWFIAGESHCXQA-QGZVFWFLSA-N 436.965 2.337 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(CCOC)CCC2)CC1 1507737702 CCGYNIWZUNBPKM-HXUWFJFHSA-N 443.592 2.345 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1507832427 FYDJGQXNTFOUOQ-UHFFFAOYSA-N 445.571 2.278 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC)C1 1508087768 DUIAGZQALLRFLN-SFHVURJKSA-N 438.580 2.381 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1508141275 MAYLEUCEOGIFAQ-ZACQAIPSSA-N 428.624 2.493 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1508161461 MBOIBIGKRYMFCZ-IKGGRYGDSA-N 443.639 2.013 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1509945996 FHTPVZNEMDPUIX-SPLOXXLWSA-N 441.561 2.019 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1516952700 IRMWETPGEQYDGL-UHFFFAOYSA-N 444.543 2.407 30 10 IEEE COCCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C#N)o2)CC1 1519226734 ZNVNTSBGXCUTGO-UHFFFAOYSA-N 436.516 2.447 30 10 IEEE COc1ccc(C(=O)N2CCCc3c(C#N)cccc32)cc1S(=O)(=O)N1CCOCC1 1527653134 IFWJPRJBCAORQR-UHFFFAOYSA-N 441.509 2.181 30 10 IEEE COc1ccc([C@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1533189008 WNUROYLWPLIIBT-HXUWFJFHSA-N 429.498 2.101 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2=O)cc1Cl 1533681315 FAOOCOCFUZRCHV-SJORKVTESA-N 428.920 2.472 30 10 IEEE N#C[C@@]12CN(C(=O)CN(Cc3ccco3)c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1536179897 NQSIAJNADMIMDH-YWZLYKJASA-N 433.917 2.336 30 10 IEEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1538887106 JFWSUMIXDFPZBW-AWEZNQCLSA-N 444.962 2.419 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1539025177 FXLBIHYGXBXUJE-KRWDZBQOSA-N 435.507 2.426 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1539251440 GVJIEVYDGJUAOL-HXUWFJFHSA-N 443.498 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCN(C)CCOC 1539253195 ODGNVCDOMALPPJ-UHFFFAOYSA-N 430.350 2.359 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2nsnc2c1 1539273450 SFIOPPYVFURHJT-UHFFFAOYSA-N 447.549 2.395 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[C@@H]2CCOC2)CC1 1539461198 BELIDKLDQZNTGM-LJQANCHMSA-N 425.533 2.048 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1539539201 RVQGTIKNRQISST-FOIQADDNSA-N 435.525 2.099 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCS(C)(=O)=O 1539685973 AYPPHLNIVMBKCU-UHFFFAOYSA-N 430.372 2.493 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(F)(F)F)C1 1540876844 CWITZRMGYKKATI-DZKIICNBSA-N 431.459 2.083 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1541113209 RRMRZMGBINUDAJ-ZDUSSCGKSA-N 441.517 2.093 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1=CCCOC1 1542054766 SPPCTHCBMHIOTD-HNNXBMFYSA-N 443.577 2.489 30 10 IEEE C=CCC1(CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CCCC1 1544636586 OQHJMYXZEZANFE-UHFFFAOYSA-N 433.574 2.406 30 10 IEEE Cn1cc(C(=O)NCC2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)cn1 1544722726 UBIBJRGUIPCOFJ-UHFFFAOYSA-N 444.333 2.265 30 10 IEEE COc1ccc(COCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1554952409 BPENSUGYDRDXGN-QGZVFWFLSA-N 448.531 2.189 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1555633545 PLUXWNDLPQTUPW-DLBZAZTESA-N 439.520 2.318 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1555795579 QUWLFSLLRMYXPS-LJQANCHMSA-N 440.529 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](Nc4ncccn4)C3)C2)C1 1557184729 LGWHFMQKRPIMDF-QNOZYLDQSA-N 426.521 2.276 30 10 IEEE C#CCN(C(=O)c1cc(N2CCOCC2)ccn1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370013 FWTINKTUAQYCKI-UHFFFAOYSA-N 428.533 2.393 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1587621398 TVJGBPIWKGQDCM-MRXNPFEDSA-N 447.543 2.220 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1587667782 MKIBFRLMEJXQMZ-LINNUKDLSA-N 448.527 2.458 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)CC=C 1588118014 VXAOTXPCIUTIKK-UHFFFAOYSA-N 447.358 2.381 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN(C(C)=O)C1 1588167165 YVSGTWQXESTJOP-FQEVSTJZSA-N 435.528 2.197 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](NC(=O)CC)C1 1589303985 CAKOKOAEKDSYBF-CABCVRRESA-N 444.374 2.406 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1594456095 XUZVWQATDYLDML-ULQDDVLXSA-N 425.599 2.353 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595185309 WBORXCMFOLYLMY-KRWDZBQOSA-N 431.562 2.414 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2Cc3cccc(C#N)c3C2)o1 1611561770 BLOKTIMYUCWMJX-QGZVFWFLSA-N 443.481 2.023 30 10 IEEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c(CC2CC2)nnc1N1CCO[C@H](C#N)C1 1618488910 SMBJSCQKACVAKJ-LLVKDONJSA-N 429.834 2.413 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C[C@@H](C)O1 1620420277 YWNZYASUDNPZHG-VLIAUNLRSA-N 442.491 2.365 30 10 IEEE CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1628085256 DXEJUGUXFJGCJO-VXPUYCOJSA-N 444.488 2.445 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1631336379 VBTFNCBRSNIKLR-WMZHIEFXSA-N 428.533 2.357 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)s1 1631702135 UQLRQMHMPCBNHL-JKSUJKDBSA-N 441.619 2.298 30 10 IEEE C=CCn1c(SCC(=O)N[C@@H]2COC[C@@H]2O)nnc1-c1ccc(Cl)cc1Cl 1635130655 RSQGDDBYSJXDGR-KGLIPLIRSA-N 429.329 2.406 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(OC(F)F)cc1F 1635769892 STDVSLZAWHQEOY-NSHDSACASA-N 427.404 2.282 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1 1636157945 HBBAPKPCHHSFLI-UHFFFAOYSA-N 437.443 2.301 30 10 IEEE C#CCN(CC(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O)C(=O)OC(C)(C)C 1637167971 FSOXVXVTWHEKAQ-HNNXBMFYSA-N 436.306 2.151 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 1638075704 SVRIWPSRGOINAT-OAHLLOKOSA-N 432.318 2.039 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 1638380562 PDENLXZKEBUZJD-VQTJNVASSA-N 430.549 2.457 30 10 IEEE Cc1ccc(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(C#N)c1 1641378253 NGAYQQASGCAWAF-FQEVSTJZSA-N 437.521 2.470 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC1CCSCC1 1648441332 PPBDCGASBACBLC-QGZVFWFLSA-N 439.603 2.168 30 10 IEEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)cc1 1679256646 CHWHTZLQUIOIJQ-OAQYLSRUSA-N 441.557 2.471 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)n1 1687132429 TXTOBJTYOSZCLB-UHFFFAOYSA-N 431.537 2.074 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1689827214 BISTXFFYYLKDIP-KGLIPLIRSA-N 425.942 2.079 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1689873491 KXHAOPGKDLHECM-UHFFFAOYSA-N 441.580 2.046 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689983735 GIZFSDZDZBLNTP-GOSISDBHSA-N 439.541 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1689998850 YWFACVPXQWHKMV-UHFFFAOYSA-N 445.502 2.154 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1690027903 CSINYLBDQHBIDW-QZTJIDSGSA-N 432.590 2.237 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690469319 LPYWTBDVSUSVDX-BBTUJRGHSA-N 438.594 2.373 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1690484893 GQGXDQGPFMSOAD-SJORKVTESA-N 432.525 2.281 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)NC(C)(C)C)C1 1690688288 RXOVNSXWPHWIPR-VGSWGCGISA-N 435.569 2.016 30 10 IEEE Cc1ccccc1OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1693283153 PJCNKNWEWUKVGH-DYESRHJHSA-N 447.536 2.400 30 10 IEEE COCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1697999551 HASZUZUWTUAMSY-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1 1698310711 XTZRZLKJPIDTSR-QGZVFWFLSA-N 434.591 2.094 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCC(=O)N(C)C)c1 1705505753 SKFZJQHYBUMTSS-UHFFFAOYSA-N 433.516 2.198 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705517327 TUIQWODZHYFPIA-HZPDHXFCSA-N 447.527 2.057 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1705604086 FEJQFZRQJXTKTH-AWEZNQCLSA-N 425.942 2.080 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1705705084 CNHGTAUMWNYZEH-PZJWPPBQSA-N 430.574 2.279 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705727225 OMIZNARDUYLSCR-UHFFFAOYSA-N 435.513 2.381 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1705933886 UWTNDCHLRZYBSB-KRWDZBQOSA-N 445.589 2.155 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccn(Cc2ccccc2)n1 1706078870 YGBHDSNSCFRYEB-SFHVURJKSA-N 432.532 2.289 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1COc2ccccc21 1706878794 GXZXFEUPHRNDIX-MRUHUIDDSA-N 444.561 2.195 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1707542652 HVTBLTWRAKUQEW-JQVVWYNYSA-N 429.496 2.456 30 10 IEEE CCCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709607030 IMYPTNILIAYZAP-MRXNPFEDSA-N 425.537 2.049 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C1 1712595386 CDTGABLGMSOOOE-OAQYLSRUSA-N 448.527 2.114 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](OCCOC)C1 1722333192 HZJUGPLOLCTAET-HXUWFJFHSA-N 439.564 2.107 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1OCC[C@H]1C 1722419311 XDQAUKDMZFPNTC-VQIMIIECSA-N 445.951 2.373 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OC)cc2OC)CC1 1722436707 LCDNSVJLKXOFCI-FQEVSTJZSA-N 439.560 2.187 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1722445057 KFARJZWOSLWSLV-OAQYLSRUSA-N 449.603 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCCC[C@H]2CC)CC1 1722451155 YOWIUQMIAKAGFG-NHCUHLMSSA-N 442.608 2.360 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722538603 ZEOKSIRAORHMQG-GOSISDBHSA-N 432.594 2.462 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](OC)C1 1722626459 CJVBBHGHOQWTDO-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(C)C)CC1 1722702302 HKZGZSVKKZUCOF-UYAOXDASSA-N 432.613 2.419 30 10 IEEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1)N(C)C 1723818192 BOSDCGYXGBFLCX-INIZCTEOSA-N 430.578 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CC1 1724010346 IJXVWSRYTJQQFH-KKSFZXQISA-N 446.552 2.241 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)s1 1727487183 BMSZSQCJDKADOJ-OAQYLSRUSA-N 436.545 2.241 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1728522817 DZFCVIOATPARRO-IBGZPJMESA-N 445.545 2.292 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1730850599 IAPBYDVEYWZEIF-WOIUINJBSA-N 434.585 2.100 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1731095276 PTVQZPOZBOWIFY-UFOSLELVSA-N 427.534 2.131 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740595191 PBSVBWOXBJMVBY-INIZCTEOSA-N 440.573 2.178 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1740623106 OFPMTXSIPUDHDU-WMZOPIPTSA-N 444.557 2.258 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)CCOC)CC1 1740699253 ZLRBURZHDCJRSG-UHFFFAOYSA-N 444.605 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccccc2)CC1 1740706228 UPOOEUCSCUUHSU-HXUWFJFHSA-N 437.544 2.217 30 10 IEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740886793 SDLJQCFGAUVOEL-LJQANCHMSA-N 428.512 2.157 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1741113459 DGXZIXGYOVSALC-FQEVSTJZSA-N 437.548 2.084 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccsc1 1741952504 BYFAUQNITNRJSO-JXFKEZNVSA-N 449.602 2.279 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCn1ccnc1C 1746888567 ATYWBPYQFZEKBM-GOSISDBHSA-N 437.504 2.190 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748703602 ULKDTUSDSNGYNK-OAQYLSRUSA-N 441.532 2.107 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1748713787 FHSFOCLNYQOETB-FQEVSTJZSA-N 436.560 2.401 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1748844055 NGYSFZCZGOSOCP-QGZVFWFLSA-N 441.919 2.411 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749122420 VUEROHITPOFZID-AQNXPRMDSA-N 441.557 2.421 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749181379 CRNRVZDZSIDEOF-FQEVSTJZSA-N 429.912 2.384 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749231983 ALMHVVRTKMTNMO-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1749465034 LGOZWNYFRZBFCO-GJZGRUSLSA-N 445.549 2.364 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1749583038 UOTDHIGBWQQEQK-DEOSSOPVSA-N 436.560 2.228 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)C1 1749701578 WQSLBXAVECZRJT-KRWDZBQOSA-N 439.969 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1760117564 QIUSRCNGIUBKOB-WSTZPKSXSA-N 445.589 2.263 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1760155147 REXINULVAPTTLK-WOJBJXKFSA-N 430.574 2.462 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1OCC(F)(F)F 1760165131 KBDKXYRXFMVNFO-IBGZPJMESA-N 439.438 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(CC)(CC)OC)CC1 1760269358 GHHBMXCISZEFTL-IBGZPJMESA-N 431.581 2.343 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760282244 YDNHFVGFDOAVOY-IBGZPJMESA-N 437.573 2.132 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1760292986 MFBYBYKRSLYWDP-OAQYLSRUSA-N 431.562 2.274 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CC1 1760404117 SWNPIKJEIBVALZ-QGZVFWFLSA-N 444.561 2.295 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760449337 HNGMGGHAXHQWJG-HUUCEWRRSA-N 431.459 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1760548890 RQZIGXYWOQXFSH-UHFFFAOYSA-N 438.623 2.089 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760569407 NREUAZCWKRDFEU-SFHVURJKSA-N 438.557 2.459 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1761284497 RHRPWVRVSZOEKA-YADHBBJMSA-N 448.543 2.163 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(N(C)C)CCOCC2)CCOC1 1761287958 YUECZCBZPQUNOI-QHCPKHFHSA-N 446.596 2.169 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1768167476 QMLRJHUVTIHVEK-OAQYLSRUSA-N 446.577 2.151 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1769044564 HJAGWABUGYHSIZ-OAHLLOKOSA-N 429.525 2.316 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1769996679 ZLQRZRHONOAPKS-LPTQZCDUSA-N 435.475 2.491 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1CC1 1770044349 MDUYLMPYVJASBA-IRXDYDNUSA-N 440.552 2.179 30 10 IEEE C=CCN(C(=O)CCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(Cc2ccccc2)C1 1853566645 PUKPVBYXGCVGAH-QFIPXVFZSA-N 433.618 2.176 30 10 IEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)cc1 1854516419 MATNWIWRFQHNSG-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE Cc1ccc(Cl)c(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856597753 UDDJQKZXLPYBOK-MRXNPFEDSA-N 425.894 2.175 30 10 IEEE Cn1cc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c2ccccc21 1856830030 RAKVLINMKRNFJZ-QGZVFWFLSA-N 425.466 2.140 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(Cl)cc3F)C2)CC1 1857033830 GAPCGMPSJFQZSS-CYBMUJFWSA-N 427.885 2.033 30 10 IEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C(F)(F)F)cc2)c1 1858670563 YNMHNSPDUUSJJL-UHFFFAOYSA-N 426.376 2.247 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCCOC)cc21 1858807609 YHJNOFBUZKSJOE-UHFFFAOYSA-N 440.456 2.023 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 1862579239 MNYIIFKPSIXBIW-HXUWFJFHSA-N 443.452 2.292 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc1 1862626417 AXZCPAYAGJHWOR-HXUWFJFHSA-N 438.436 2.138 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@@H](CO)C2)=C(N)Oc2c1c(C)nn2C 1865227229 FIYSRHZNSUEKJD-UZLBHIALSA-N 438.528 2.219 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866577110 FGTNPGVRKBAUAJ-FXAWDEMLSA-N 443.500 2.188 30 10 IEEE Cc1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866869253 ZBOXEYYEMDXYJD-MOPGFXCFSA-N 426.542 2.449 30 10 IEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN(CC)CCc1ccncc1 1870476152 FBRFYERKTHNVEL-UHFFFAOYSA-N 429.517 2.062 30 10 IEEE C#CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CN(C)CCO)cc1=O 1870563459 BXBSFCNOSGEOHK-UHFFFAOYSA-N 428.529 2.325 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871537071 UYVZSLFGROSLEI-UHFFFAOYSA-N 425.537 2.120 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647932 QCZRNLXAVKXNQE-UHFFFAOYSA-N 443.983 2.425 30 10 IEEE O=c1c(Br)c(N/N=C/c2ccccc2Cl)cnn1[C@@H]1CCS(=O)(=O)C1 1873527122 MINQDLNOWXQPQN-MBCCIFHSSA-N 445.726 2.465 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCCO)n3/N=C/c3ccc[nH]3)CC2=O)cc1 1874198205 RZOYMNYECNGZHS-LJGKHRNASA-N 440.529 2.492 30 10 IEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3nc4nccnc4cc3Br)C2)c1 1889758794 PAPUFNOLJALHHO-LBPRGKRZSA-N 425.246 2.347 30 10 IEEE N#Cc1cncc(C2=CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)c1 1891274895 WNGBNINKZPBWEM-LJQANCHMSA-N 430.464 2.393 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C4CC4)[C@@H]3c3cccnc3)CC2)c1 1892118035 OKLIOXPJXDPMTC-DHIUTWEWSA-N 447.564 2.450 30 10 IEEE C#CCn1ncc(N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2105973693 BDZABZJDZIERQU-KRWDZBQOSA-N 429.290 2.400 30 10 IEEE N#Cc1ncc(Br)cc1-n1cnc2c(I)ncnc21 2121289763 NFEHAKKOJPUXDI-UHFFFAOYSA-N 427.003 2.449 30 10 IEEE CN(C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124536356 QSLNHZVYZRDORZ-ZWKOTPCHSA-N 446.353 2.319 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669145 AMGXEFJNSJFXPT-RHSMWYFYSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677232 DRFAZMZJXDLLBO-CVEARBPZSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224098744 ZAYOSEADNVTHNE-QFIPXVFZSA-N 433.358 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2247835603 NGHWFWNTUJMINK-UHFFFAOYSA-N 435.355 2.135 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCO)Cc3ccccc3)cc2F)OC1(C)C 2247876864 XJIVMJWTHVXUOM-UHFFFAOYSA-N 435.326 2.308 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247922673 LNLJENOXZQKWDQ-UHFFFAOYSA-N 439.343 2.067 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254803999 FHYZSRCXFDGEEB-LSDHHAIUSA-N 437.321 2.302 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]2C1 2255637491 HINKBIWERUAFTN-KBPBESRZSA-N 449.382 2.381 30 10 IEEE Cc1nc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255643833 CXJJEYRFBWQBEC-KRWDZBQOSA-N 447.288 2.034 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255659240 PHYIENRLMJLNOL-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256023527 RWECNGRAWMROCS-QWHCGFSZSA-N 427.276 2.461 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)o2)OC1(C)C 2256876201 QVVPXLIFUJKIML-MRXNPFEDSA-N 429.278 2.369 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(=O)O)Cc1ccccc1 2256916240 BKIJNCXGGBPWEM-UHFFFAOYSA-N 427.310 2.319 30 10 IEEE CC(C)(C)OC(=O)NCCCN1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2266762934 IHUQSUYCPBYYNM-UHFFFAOYSA-N 446.401 2.418 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267502200 KIMYYCWGAHGREU-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267521119 QKLUFVQBSSWNCZ-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2267595887 YEXULROLZLTCFK-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE COc1nc(N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503588 PMEYAZCNWAVGQV-JLCFBVMHSA-N 431.342 2.493 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2329175683 WDIAZDMTWCZRDX-UHFFFAOYSA-N 425.470 2.057 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2334263091 IUTFQBRQLMVUPV-IJEWVQPXSA-N 446.357 2.227 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337201954 BSVGPZFSHJSZLT-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CCN1C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2340493484 CEHLNKRJJWOTQI-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE COc1ccc(/C(C)=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 33554847 HIMPJOGZPHWQPH-ZHZULCJRSA-N 434.474 2.460 30 10 IEEE Oc1ccc2cc(Br)ccc2c1/C=N/NC(=S)NCCN1CCOCC1 169884301 QZQMSSRLNGVFOD-CIAFOILYSA-N 437.363 2.438 30 10 IEEE N=C(NN=Cc1ccccc1[N+](=O)[O-])S[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 252620387 MCZNFTBNWRVYPC-OAHLLOKOSA-N 441.425 2.217 30 10 IEEE N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1C(F)(F)F 432972284 QXLVUXNIVYNELY-UHFFFAOYSA-N 438.431 2.221 30 10 IEEE COc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N1CCOCC1 435826023 MTRUTAIIVCJRHY-UHFFFAOYSA-N 441.509 2.258 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1-c1ccc(F)cc1 471204073 ONMLKDHSKYEDCB-UHFFFAOYSA-N 425.485 2.223 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCn3c(nnc3-c3cccnc3)C2)c(C(F)(F)F)c1 481505393 DQMDSVGHSMCSQN-UHFFFAOYSA-N 434.403 2.435 30 10 IEEE CN(C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1)c1ccccc1 488120239 PUTNIKODTMENTD-FQEVSTJZSA-N 445.544 2.255 30 10 IEEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1cccc(OC)c1 488917923 MLODXUYSAWLTOX-AWEZNQCLSA-N 429.546 2.357 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 492335277 DTEXCIDNTSPNTJ-UHFFFAOYSA-N 439.413 2.090 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 508252298 AMADPRVWUIMIBN-YWZLYKJASA-N 426.904 2.350 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C[C@@H]3CCCO3)c3ccncc3)C2=O)cc1 511096362 REEQQSPQNZDXDM-VQTJNVASSA-N 433.468 2.370 30 10 IEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@@H](C)c1ccccc1 515662393 ADRXAQGSYUQIBZ-SFHVURJKSA-N 447.560 2.175 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1ccc(C)cc1C 516829247 FQMOOWOZZMRACK-UHFFFAOYSA-N 447.560 2.390 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 532922580 BNXRPKJANDWFMX-QFIPXVFZSA-N 440.931 2.360 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 533514356 MLTYBVGFHWNIHN-IBGZPJMESA-N 443.567 2.337 30 10 IEEE CN1C(=O)C[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 535120954 MFBLMGSSXNBXLF-PXNSSMCTSA-N 428.851 2.169 30 10 IEEE CN(C(=O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CCCCC1 542076114 ZJCYZEFLSZSZMT-UHFFFAOYSA-N 442.907 2.243 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 558454161 CZTTYPPMXGXJGO-SFHVURJKSA-N 443.939 2.175 30 10 IEEE CC(C)CCn1nccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 571857584 IWEXTQJHPWYVBE-UHFFFAOYSA-N 430.534 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 585958328 FTGJQMHKWXDENC-UHFFFAOYSA-N 441.532 2.425 30 10 IEEE C#CCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)[C@H]1CCS(=O)(=O)C1 729331945 IQDRJIIJGYJWHV-AWEZNQCLSA-N 428.539 2.268 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1Cl 730403710 CSDCYMSNIGFKOU-LLVKDONJSA-N 439.827 2.348 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)c3ccccc3)n(CCC)c2=O)cn1 735068445 BEVAJQIAVXFJCX-QGZVFWFLSA-N 449.580 2.307 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCO4)c2=O)cc1C 735295363 UPCPVGAHOHDHIU-UHFFFAOYSA-N 431.473 2.280 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 739437143 JBXIOFSKNAYFLN-UHFFFAOYSA-N 431.456 2.382 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCN2C(=O)Cc3ccccc32)C1=O 750908680 BHNUMWHAVBHAJD-LJQANCHMSA-N 447.520 2.215 30 10 IEEE O=C(NCC#CC(=O)N1C[C@H]2C(C(=O)O)[C@@H]2C1)OCC1c2ccccc2-c2ccccc21 757523373 RVTRWECWECQYGT-WOJBJXKFSA-N 430.460 2.318 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)c1ccc(C#N)cc1 768709103 WNSYTTVRVIKNBH-VGSWGCGISA-N 427.457 2.206 30 10 IEEE CCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649089 OLGLNHFQFAMHMR-UHFFFAOYSA-N 448.548 2.482 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2ccc3c(c2)OCCO3)n1 789969083 UDPMYFCOEHPJIV-OAHLLOKOSA-N 426.502 2.078 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2noc(-c3cccc(F)c3)n2)ccc1F 793857587 WSWXAEFQAUURNR-UHFFFAOYSA-N 434.424 2.409 30 10 IEEE COCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802501007 ASVJQLDXUYFMQI-UHFFFAOYSA-N 433.516 2.139 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)c2)s1 807245448 HLYRVRJUYZZKDU-HTAPYJJXSA-N 425.510 2.357 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](OC)C2CC2)c1 814708833 SXSPMZVTRPYOEV-VQTJNVASSA-N 442.585 2.092 30 10 IEEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1 1084477206 USOARIRBCOJZNL-UHFFFAOYSA-N 432.535 2.332 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)cc1 1084559958 LGEOIIDHWPBJOS-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccccc2)cc1 1116952882 ZZZBUJJPTXAECQ-UHFFFAOYSA-N 446.511 2.248 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1129973889 ASCAPGNVGBBXDP-BNDVLBTASA-N 449.429 2.499 30 10 IEEE CCN(CC)C(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1136830367 XYZQZCOVNPDPLI-OTQYULQBSA-N 447.580 2.379 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1152974884 WJQCKRRVPBVGQB-HXUWFJFHSA-N 431.945 2.084 30 10 IEEE C=CCCn1cc(C(=O)N2CCOc3c(Br)cc(C(=O)OC)cc3C2)nn1 1159850847 QKZQMLGVLRVNLH-UHFFFAOYSA-N 435.278 2.438 30 10 IEEE Cc1c(NC(=O)[C@H](C)SCC(=O)N(C2CC2)[C@@H](C)C#N)c(=O)n(-c2ccccc2)n1C 1165650184 GLZFAKJXUKTVAP-HOCLYGCPSA-N 441.557 2.448 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CC(F)(F)OC(F)(F)C1 1178276685 CCIIPRGHZVPVOG-UTINFBMNSA-N 432.292 2.016 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)nc1 1178461002 WMIHSUFRPSZDNG-RDPWEWGOSA-N 439.541 2.337 30 10 IEEE Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3C#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1191634368 FQWCRHNTNFRUTF-DOTOQJQBSA-N 449.508 2.112 30 10 IEEE C=CCN(C(=O)Nc1nc2c(s1)CCC[C@H]2C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1218790947 AATFUTMIEUESBU-CHWSQXEVSA-N 427.548 2.333 30 10 IEEE C=C(C)CN1CCC(NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1226799106 YRTMRGGGOCDSSB-UTKZUKDTSA-N 430.597 2.448 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC(=O)N3CCCCc4ccccc43)C2=O)cc1 1227631570 HIEWXBLLKIZGDS-OAQYLSRUSA-N 445.523 2.328 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nncn3CC2)cc1 1264723921 BHXMZPFIECNMNI-ZCMXAENPSA-N 444.561 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@H](C)CC 1286286423 XYTIMXIPEQRUHN-SJORKVTESA-N 431.610 2.426 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286449444 XWIUUUMDELEREC-IBGZPJMESA-N 428.606 2.333 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOCC2CC2)CC1 1286490885 VZVYFZTZOQLZMM-UHFFFAOYSA-N 436.560 2.431 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286545826 CAHGAWYORAVHCH-HLIPFELVSA-N 427.553 2.360 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1286608904 VIGXMVBBKGMZHF-OALUTQOASA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1286792157 OHFIBLIFGLVUCZ-QZTJIDSGSA-N 441.532 2.031 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOCC1 1286795659 LKAOQVBMPYBWEZ-UHFFFAOYSA-N 437.548 2.060 30 10 IEEE CC(C)C(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1287126249 MPAKMJDKTPPGBK-LPHOPBHVSA-N 444.511 2.448 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 1288149972 WVFOOPYQURDTIV-UHFFFAOYSA-N 429.274 2.369 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)CCO1 1293540236 CNOXDYRWGUSVMJ-LJQANCHMSA-N 446.577 2.104 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@]2(C#N)CCCOC2)C1 1295136653 NGHSQHYQSWHNPD-PMAPCBKXSA-N 448.564 2.061 30 10 IEEE CC(C)OCCS(=O)(=O)NCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1299753407 AGZDUPMJTOMDDX-CQSZACIVSA-N 435.468 2.290 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300498367 JNEMHOJHXSIXDL-QAPCUYQASA-N 436.578 2.386 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1300503509 DBEQILNHLGWFCY-TXPKVOOTSA-N 448.520 2.023 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCSC1 1300574835 MDWQBRHSDQNPBM-QGZVFWFLSA-N 442.614 2.454 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1Cl 1300671603 LSENKIMGWBOXEC-QGZVFWFLSA-N 436.965 2.162 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1300690547 DEEWJAXSVJGZCG-PMERELPUSA-N 429.590 2.256 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1301384305 TYUUMLPTQHMVBN-QGZVFWFLSA-N 436.516 2.176 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCSCC1 1301403286 XHWWJGYYARCWCG-UHFFFAOYSA-N 444.605 2.391 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)C2(C#N)CCOCC2)CC1)C(=O)OC(C)(C)C 1301495147 WHRSGAGACYRCBK-UHFFFAOYSA-N 436.553 2.061 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301577237 GIPYPEKMVKPZKA-GOSISDBHSA-N 445.589 2.239 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301620538 HCZPPESNUQUYIM-INIZCTEOSA-N 426.546 2.315 30 10 IEEE C=CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301621071 QCCSUOWDZRMQLZ-LEWJYISDSA-N 435.594 2.097 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1302013151 BKJQXCWITXYNAR-MOPGFXCFSA-N 449.559 2.226 30 10 IEEE CC(C)C(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1302432930 ANLAAHOUOGKZSR-DLBZAZTESA-N 444.511 2.448 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1302483889 HIFWUACDYDMIJV-QHCPKHFHSA-N 432.532 2.340 30 10 IEEE CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1314562416 SNPFQDZSQOVTHK-LAQJXLFFSA-N 440.573 2.026 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCCc1ccccn1 1314642509 OMDYXRBJKZVGAI-UHFFFAOYSA-N 433.516 2.281 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)C(C)C 1315229757 VVTPVGXAFIOALN-YSIASYRMSA-N 438.532 2.115 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1315739188 AWELORQHCMYKIS-HDMKZQKVSA-N 437.504 2.241 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@](C)(O)CCOC)c1 1358902461 OUSJARYRPBQWTE-HSZRJFAPSA-N 425.533 2.389 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1358938219 UCXUMPDJBWPAQC-MRXNPFEDSA-N 431.562 2.088 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358960180 YVMLNPPPPBGIDX-RTWAWAEBSA-N 441.601 2.446 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)COc1ccccc1OC 1358967938 VVNNUBVHFWYYKB-LJQANCHMSA-N 435.528 2.311 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CC1 1359032854 GBVXOXUWIPDBND-OAQYLSRUSA-N 434.544 2.015 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN(CC)C(C)C)CC1 1359039399 HAEDOJKGHQENKN-UHFFFAOYSA-N 428.556 2.482 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1359125605 LOUMEYAANUMIGD-UHFFFAOYSA-N 429.521 2.457 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359207662 RINHXKWEVBDRIL-UHFFFAOYSA-N 443.515 2.485 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cccs1 1359233821 RVZXOTMAODNWNP-UHFFFAOYSA-N 445.570 2.462 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOC[C@H]1C 1359331327 VRBQWVKPSPYNNU-MRXNPFEDSA-N 443.529 2.426 30 10 IEEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1360097825 DAKYVVDBTWGZJC-FQEVSTJZSA-N 436.564 2.103 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1360482157 ZPPHUSPOWUMZDY-AWEZNQCLSA-N 442.911 2.460 30 10 IEEE CCOC(Cn1ncc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1N)OCC 1440687003 SYQXWQKNPHKBHN-LJQANCHMSA-N 444.511 2.026 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCO[C@](C)(C#N)C1 1456469325 AJFYWVBTSJBYOM-PZJWPPBQSA-N 447.582 2.381 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H](N(C)C)C(F)(F)F 1471758594 ORMRISNRDGXAST-HOCLYGCPSA-N 448.511 2.283 30 10 IEEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1472148356 DCFUFEDDJFTFPN-FQEVSTJZSA-N 438.509 2.053 30 10 IEEE Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1B1OC(C)(C)C(C)(C)O1 1472159360 FLOFOKYYXQDJSE-HNNXBMFYSA-N 444.362 2.433 30 10 IEEE C=CCn1cc2ccc(NC(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)cc2n1 1477121507 RLFCYSSVNVKDTH-UHFFFAOYSA-N 440.529 2.224 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCCCO)C2CC2)CC1 1505119230 WHKCFXBCQRLRGO-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC)C1 1507557544 LVTFJIRHBYHRNI-GOSISDBHSA-N 432.546 2.004 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507593843 VKAUDDBCPJHGGM-QGZVFWFLSA-N 442.589 2.424 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccc(C)cc1 1507701764 AOTOIAJHNLMAJT-LJQANCHMSA-N 425.533 2.376 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCn2c(C)nc3ccccc32)n1 1507717247 SRLSZBKTBFMCLV-UHFFFAOYSA-N 432.532 2.428 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCCC=C)CC1 1507717463 DSFGTKKSCHOLCS-UHFFFAOYSA-N 447.381 2.394 30 10 IEEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507821458 CPTHONSLKLGYFK-JOCHJYFZSA-N 448.589 2.024 30 10 IEEE C=CCN(c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1507991065 XWSMFANMLOWEMW-UHFFFAOYSA-N 426.546 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@H](C)c1nccs1 1508142750 VAZRTEJGHLHJFI-LSDHHAIUSA-N 425.580 2.079 30 10 IEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1509091223 FBMITZCLWVWCPF-QRVBRYPASA-N 435.594 2.371 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1509787529 BHFHWWCJNZBTIS-ABSDTBQOSA-N 439.582 2.024 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1515299956 HIJMZZMKLTXGGD-SFHVURJKSA-N 438.532 2.180 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1519078899 ZCXWDCILCHVICU-LJQANCHMSA-N 438.532 2.356 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1521101734 HSAGRIPXPOZKBS-UGKGYDQZSA-N 440.479 2.366 30 10 IEEE C#CC[C@]1(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CCCN1C(=O)OC(C)(C)C 1537385299 VFVXBASBHQCJMN-OAQYLSRUSA-N 447.513 2.144 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1539111836 BEZNPOSCWMVOBM-UHFFFAOYSA-N 437.592 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCOC[C@@H]1OC 1539332553 VLCVJDVBAIGSJM-CTNGQTDRSA-N 432.528 2.031 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C1CC1 1539383838 MEHMPOSAFNGZEY-HSZRJFAPSA-N 425.508 2.454 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCCCC2)CC1 1539491024 KNSDDVADPUHYRS-UHFFFAOYSA-N 432.638 2.485 30 10 IEEE C=C(Br)Cn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@@]1(OC(C)C)CCOC1 1539608859 FTVSRXIEIGXUQC-SCLBCKFNSA-N 444.374 2.046 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1539948254 VQHXJUWFWRPXKI-VQTJNVASSA-N 430.597 2.417 30 10 IEEE C=CCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861322 LLZXMZKTTFZPBY-ZSDSOXJFSA-N 432.525 2.266 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1540864139 QHFZBGBUWKHJIK-FQEVSTJZSA-N 446.559 2.239 30 10 IEEE C[C@@H](CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)c1nccs1 1541831107 LYEZRQXEYYVCAS-HLAUDOPJSA-N 441.561 2.453 30 10 IEEE Cc1csc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)n1 1542845512 GQOWKVBXCFIINV-TZMCWYRMSA-N 437.595 2.197 30 10 IEEE CC(C)Oc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1C#N 1545908225 BHLVWCLKLYNPRJ-SFHVURJKSA-N 426.448 2.026 30 10 IEEE COCCOc1c(Cl)cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1Cl 1546181966 OWHDKTIITKBZDS-UHFFFAOYSA-N 427.244 2.181 30 10 IEEE CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1554483257 FWMCAMQEHNMTDY-UHFFFAOYSA-N 430.516 2.065 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)c1 1555011935 LPJKRMRODHGMKM-VQTJNVASSA-N 427.505 2.268 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1557386200 QOGLTBPHSNKBDK-PGRDOPGGSA-N 428.489 2.206 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCc3ccnc(C#N)c3)c2c1 1568543381 GZNRXKREYCLEJS-UHFFFAOYSA-N 439.497 2.168 30 10 IEEE C[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H](C)N1CCO 1569177758 OMSRSCLLKSUZEG-LLGFUMIMSA-N 442.560 2.306 30 10 IEEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)c(O)c1 1583958078 XNBUEHNXIYBIBJ-UKRRQHHQSA-N 441.406 2.257 30 10 IEEE COc1ccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c(N2CCN(C(C)=O)CC2)n1 1584018801 VZOOGOBLFNFIFV-UITAMQMPSA-N 426.448 2.119 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCN1CCOCC1)Cc1ccncc1 1585534645 NFBCNMLPDNSMPF-NRFANRHFSA-N 444.576 2.439 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CCCC1=O 1587904371 FPVSSFPGLFDSEG-UHFFFAOYSA-N 436.560 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C 1588229072 QMLSBSBMJCZKRQ-MAUKXSAKSA-N 429.546 2.052 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1588761751 APIFMNOLLIUXKZ-DYESRHJHSA-N 425.533 2.143 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCc3ccccc32)CC1 1588884432 AIJTYHBLSUQALP-VWLOTQADSA-N 435.572 2.375 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1588930122 NXSVENWTSWHGJF-RTWAWAEBSA-N 437.544 2.136 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1589059962 LONSLDVQHNSMQY-RTWAWAEBSA-N 446.665 2.491 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1594521440 NQUFDEFUVRSPCZ-IBGZPJMESA-N 430.597 2.161 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1594803107 NKRMKRCWTLDUNN-QGZVFWFLSA-N 426.525 2.422 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1)C1CC1 1595013541 DMOYOYBIFLAGIH-UHFFFAOYSA-N 429.546 2.121 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)C1 1595674821 UXPMVLXVCQLTAX-ZWKOTPCHSA-N 425.537 2.191 30 10 IEEE Cc1ccc(CSCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1612090850 DPOQMUFHYVDZOK-ZWKOTPCHSA-N 426.546 2.200 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1612919169 PPJLLIOMYBPVKH-QQMHEVNUSA-N 436.516 2.475 30 10 IEEE C[C@]1(C#N)CN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CCO1 1617894129 BKXZALQEYQTCQO-YJBOKZPZSA-N 443.363 2.184 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1619989963 LPPOBLMNOYDECJ-VGSWGCGISA-N 444.511 2.103 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(CN3CCCC3=O)n1CCCC(F)(F)F)C2 1620349320 KIBVMCSXYCLEFE-UHFFFAOYSA-N 449.437 2.278 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 1625223005 AXUBLSLGWJRKOA-FQEVSTJZSA-N 443.544 2.309 30 10 IEEE C#CCN1CCN(C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)CC1 1635017266 RXKLSXCNGRARCQ-SFHVURJKSA-N 429.517 2.147 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2cnccc2s1 1637897500 NRMGWIUAMGBZDI-CQSZACIVSA-N 443.554 2.461 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 1643372623 UOIRCVRIVWCRBK-UHFFFAOYSA-N 441.431 2.191 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)n(-c2ccc(F)cc2)c1C 1648123146 FRKNACRHBATEOY-FPOVZHCZSA-N 439.491 2.023 30 10 IEEE CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CC1=O 1651185242 PZJWYHLOUJNEEI-MJGOQNOKSA-N 433.402 2.404 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1OC 1651778335 KSZCAXOOWQQHKI-QRBZPYHOSA-N 445.541 2.395 30 10 IEEE CCOC(=O)c1c(NC(=O)N(CCN(C)C)C[C@H]2CCCN2CC)c(C#N)cn1CC 1672913202 BACZFTWMJAEYGA-GOSISDBHSA-N 432.569 2.436 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cnc(Br)cn2)cc1 1673394108 YTEOXCVIFDPVOO-UHFFFAOYSA-N 440.323 2.367 30 10 IEEE C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)C(C)C 1675584696 KIRHLDZADRJQNX-BZUAXINKSA-N 425.517 2.302 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(C(=O)CCc4ccccc4)C3)CC2)cn1 1679016111 ABRKNXCUDURQMQ-NRFANRHFSA-N 432.528 2.019 30 10 IEEE C#CCSCCNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1679475552 YSRCTICHYQDSSR-UHFFFAOYSA-N 444.561 2.458 30 10 IEEE CN1CCOC[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1684582379 QYSMTEMZFORJOO-LPEHRKFASA-N 425.320 2.129 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1689943709 AAGPBQMRHSAWGZ-FQEVSTJZSA-N 445.527 2.068 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(=O)(=O)CC 1689952494 HRGAYPPXFSYCBE-UHFFFAOYSA-N 440.367 2.025 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C(CC)CC)N1CCOCC1 1689972577 ULJHALVTBFDPIE-OAQYLSRUSA-N 427.597 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C(C)(C)C)cs1 1690092212 ACFLQTSJBJNQNY-UHFFFAOYSA-N 430.578 2.402 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1690257208 ANVGJDRBLXDMRK-FXAWDEMLSA-N 426.583 2.156 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCC1 1690622168 JQQNXGRXCNZIOC-UHFFFAOYSA-N 427.553 2.006 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cnn(C)c2)CC1 1690665564 ICYDLBBIQYAZQI-UHFFFAOYSA-N 440.939 2.413 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)F)CC2)cc1 1690680003 GIUOLIMLVMJQPU-GOSISDBHSA-N 446.502 2.229 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)on2)C1 1690689352 CCDCSNADNHULHH-GOSISDBHSA-N 443.529 2.475 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)C1 1690812172 HTLBVOFLIYEELG-NVXWUHKLSA-N 443.577 2.266 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1692171630 AWRWZFBICNIEPL-NRFANRHFSA-N 430.578 2.497 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1693976828 WPAHKCYPNNMXAG-IFXJQAMLSA-N 436.520 2.275 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696426550 XELXRZMAIZMOFQ-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE CN(C)[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1696604889 YYMXAPAUEVDQGH-FXAWDEMLSA-N 443.533 2.019 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@]2(C)CN(C)C2=O)c1 1705505495 OXLBVEUIGJDGCH-XMMPIXPASA-N 446.511 2.381 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705570317 OQBIVRKTPDLLPG-GOSISDBHSA-N 427.555 2.000 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCC1 1705605549 NRYJVHDMOTXTLT-UHFFFAOYSA-N 430.578 2.311 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@@H]2CCOC2)CC1 1705643136 SZPCNIDFOJEDOM-HXUWFJFHSA-N 439.560 2.438 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1705655011 ASCNWMBTEMPSPA-NRFANRHFSA-N 429.546 2.030 30 10 IEEE C=C(Cl)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760299 FYBJHOXXVCDLMM-APWZRJJASA-N 447.001 2.475 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705821199 ODXXZOVGSLMSNV-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705936999 FCVAQVLITFBOAA-YOEHRIQHSA-N 439.607 2.238 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1706152393 HBKXYLYWINKRDS-UHFFFAOYSA-N 427.509 2.051 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1708628037 BIOJZIVRWWHWFM-XLIONFOSSA-N 440.548 2.105 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)c1=O 1710190016 GNUHTQBSSOULER-XMMPIXPASA-N 445.527 2.009 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)c1cccs1 1710698437 XNSLWQOEMLAQSQ-NRFANRHFSA-N 440.529 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(CC)cc1)N(C)C 1722276355 ICRSVOZBEWBXRO-ABSDTBQOSA-N 446.621 2.212 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359208 JOTPNVWINKQRSR-BPQIPLTHSA-N 444.557 2.245 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC(F)F 1722390312 PYNOLKBIPCKDSL-OAHLLOKOSA-N 433.434 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCSC1 1722418867 GDPCAZDLTDGOAF-JOCHJYFZSA-N 443.573 2.101 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C)n2)CC1 1722447875 OSLMFTBLCGLMCE-OAQYLSRUSA-N 436.560 2.432 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722453476 ULPJFWQNQJDYAE-QFIPXVFZSA-N 449.621 2.337 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722465821 TULGFHVAZRIELH-GOSISDBHSA-N 427.574 2.494 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1722599772 IYTFUHQAQOBEEA-CQSZACIVSA-N 437.570 2.320 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CC1 1722782330 BOOMBWROJJNUOD-UHFFFAOYSA-N 438.532 2.071 30 10 IEEE C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)CC(=O)N1C 1726728875 GVTUZJVPYHPXSE-POZUXBRTSA-N 426.521 2.377 30 10 IEEE CCOCc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1728971825 KZUAJUXHFJQKQL-HBMCJLEFSA-N 441.532 2.316 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740585170 WJPFVRJBMYMFOI-UHFFFAOYSA-N 442.951 2.185 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740620251 COBKQIUCALYMGO-LJQANCHMSA-N 431.562 2.030 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCN1CCc2ccccc2C1 1740685950 BJSABQMRKRZZEU-UHFFFAOYSA-N 430.556 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2ccccc2)CC1 1740701012 QWAHFWBUKQGUGZ-UHFFFAOYSA-N 448.571 2.113 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CSC 1740760871 LFVXPBWKQTZNGT-TVFCKZIOSA-N 440.635 2.493 30 10 IEEE C=C(Cl)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740816527 HHWUAKRLSAYBQU-FQEVSTJZSA-N 438.960 2.067 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740882902 BVDNRLQVRPQKIW-FQEVSTJZSA-N 427.597 2.093 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](CC)C1 1740884974 SJDYHONSGJWZEC-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1740899069 FJWGLBJRZCHDOG-MRXNPFEDSA-N 449.543 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740988962 VJVMRCCOTCLLPT-APWZRJJASA-N 429.546 2.421 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(F)(F)F 1741676758 HZWFALNZDGXITJ-UHFFFAOYSA-N 434.360 2.001 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1746486261 BRWVMRHOHVCWEN-QGZVFWFLSA-N 435.532 2.241 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](CC(C)C)N(C)C 1747131626 YIZXJBDUBDIHNK-SFHVURJKSA-N 427.553 2.326 30 10 IEEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1748043676 BBQLBKRDWWKYTG-SFHVURJKSA-N 436.520 2.157 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCSC)CCO1 1748206287 DFTRWPHJEWVGNX-SFHVURJKSA-N 428.562 2.301 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1748698076 QCZZWKVONWJWJC-UHFFFAOYSA-N 431.500 2.464 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748844307 QZVYDOAQOHKIRN-CTNGQTDRSA-N 434.544 2.261 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749210717 NKEDUYRUKCCNRG-PZJWPPBQSA-N 432.613 2.373 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750855845 GJUFDSTYHRKJHA-RUNIHZNKSA-N 430.553 2.353 30 10 IEEE Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751887446 IPAPYSSYQVJZAC-FMQUCBEESA-N 437.460 2.190 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1760262837 DHVBLQKLNOAVMF-HXUWFJFHSA-N 436.604 2.310 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1760284263 IPAPTZLAFKCKAR-UHFFFAOYSA-N 425.558 2.077 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1760337796 VZKZRXJYPYOQPI-KRWDZBQOSA-N 449.577 2.304 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1760348834 NQAREIYLIDJABA-IBGZPJMESA-N 447.580 2.129 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1760449789 VBXOJHNRFDVAMT-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC[C@H]1COCCO1 1760482523 IQFHEWBZZZCLQA-FQEVSTJZSA-N 425.533 2.399 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1760524757 INSKNMXCSZXXSR-UHFFFAOYSA-N 428.537 2.241 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760525090 TUXJDVMRZXNMBX-HXUWFJFHSA-N 438.576 2.365 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1760633439 FDROVURMJNWXFD-UHFFFAOYSA-N 432.532 2.482 30 10 IEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1)CCC(F)(F)F 1765235052 DPIJXNHTEBLAMD-UHFFFAOYSA-N 449.481 2.369 30 10 IEEE COC(=O)[C@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@H](CC[C@@]24CCC(=O)O4)[C@H]13 1848435454 DDHQRXOAZNEFKY-XXVVNKKNSA-N 430.497 2.095 30 10 IEEE COc1ccc(C#CCN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 1848644148 RZRJCRNFVUZKIT-NRFANRHFSA-N 442.585 2.042 30 10 IEEE CS(=O)(=O)c1ccc(Cn2cnc3c(c2=O)CN(Cc2ccc(C#N)cc2)CC3)cc1 1851265169 UFRDMBZKRVOTLO-UHFFFAOYSA-N 434.521 2.125 30 10 IEEE C#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(OC)cc2)CC1 1851834477 MOWSBCGRZOXMTI-UHFFFAOYSA-N 433.555 2.339 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1cc2n(n1)CCC[C@@H]2N1CCOCC1 1852734890 YIINXDCPFBDJDN-PBHICJAKSA-N 443.939 2.298 30 10 IEEE COc1ccccc1S(=O)(=O)C[C@@H](COc1ccc(C#N)cc1)OC[C@H]1COCCO1 1853358952 LPRFQEPLIJNOHA-WOJBJXKFSA-N 447.509 2.220 30 10 IEEE C[C@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(=O)cc1C(=O)O 1857886949 LATCZODWHJSYSL-NEPJUHHUSA-N 445.497 2.003 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861505024 MGUQWGOFGVAKDB-FQEVSTJZSA-N 437.471 2.473 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1cc(OC)c(OC)c(OC)c1 1864328469 NVBRVVULRUSSTD-QGZVFWFLSA-N 428.489 2.234 30 10 IEEE N#CCc1[nH]nc(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c1C#N 1866022764 LKPZMNYGDXDSTD-UHFFFAOYSA-N 441.245 2.125 30 10 IEEE COc1ccc([C@@H](C(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)C(C)C)cc1OC 1866992026 SUMZQWOPEHTXLE-NQIIRXRSSA-N 425.485 2.431 30 10 IEEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868794731 FQUSXETZCFNTQJ-OALUTQOASA-N 431.606 2.084 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)c(C)c1 1870098763 VKXHYZXUTGREFJ-UHFFFAOYSA-N 429.458 2.274 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)cc1OCC 1870152312 LPDPMXXKXHPJIZ-UHFFFAOYSA-N 434.456 2.305 30 10 IEEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870413849 HLQFPACZYAHRFY-SFHVURJKSA-N 425.529 2.247 30 10 IEEE C=CCN([C@H](CCSC)C(=O)Nc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O 1872039251 XTIVXGYYKSXNSS-CQSZACIVSA-N 432.564 2.220 30 10 IEEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 1874417427 KXAZUEZWRYXVPP-SSDVNMTOSA-N 427.486 2.051 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)CC2)CC1 1890308822 VOOBAEKLIADXPU-OAQYLSRUSA-N 443.588 2.111 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC(COc2cccnc2C#N)C1 1891178752 JYPQYXKQBKCTSQ-OAHLLOKOSA-N 425.514 2.208 30 10 IEEE N#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1891846617 MKHXOIFZHFTYLW-MRXNPFEDSA-N 434.452 2.105 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCN=C2CN(C(=O)OC(C)(C)C)CCN2)CC1 1977546525 VYYGRDMHJPRDDM-UHFFFAOYSA-N 425.574 2.214 30 10 IEEE C#C[C@@]1(Oc2nc(C)nc(I)c2N)CCN(C(=O)OC(C)(C)C)C1 2012593329 VCNMZFLYJCRVHO-MRXNPFEDSA-N 444.273 2.363 30 10 IEEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661575 XLRLXOJWBUMUCM-CJNGLKHVSA-N 435.330 2.248 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2237387601 ZCGPJJHQYWXOTD-OXJNMPFZSA-N 437.334 2.482 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390503 WTOWQXNSFYYFSE-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247921165 KMSJFZYMZVCTFN-DABQJJPHSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2248420320 RSIIQSQFIIEERW-UHFFFAOYSA-N 437.371 2.466 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CO1 2255528553 CGEHYAHRIGIYRF-AWEZNQCLSA-N 436.289 2.406 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCCCOCCOCc3ccccc3)[nH]n2)OC1(C)C 2255633256 YERVCDCQLGCAGK-UHFFFAOYSA-N 429.326 2.062 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255641800 WPAUVJQODIGGQO-ZSOGYDGISA-N 449.382 2.285 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267168469 RNGCWRNDPBMSKL-ZBFHGGJFSA-N 446.357 2.151 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(Cc2ccccc2)C1 2267490762 SYZBXPSVLCDSCG-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267871768 DWEDIUFLTNCNJC-CABCVRRESA-N 446.357 2.151 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873444 YNPZIOAZUSEDFN-PKOBYXMFSA-N 436.365 2.274 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268654757 DFQOGZJVVGMBFJ-JKSUJKDBSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268699583 GYKFWWLHDBFMOR-GOSISDBHSA-N 446.353 2.104 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268711374 MPGQBDMBGYEPJH-GOSISDBHSA-N 446.353 2.104 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2268715059 FPBGQPFDWWOROB-QGZVFWFLSA-N 448.369 2.266 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC(F)(F)C3)cc2Cl)OC1(C)C 2282842597 AKAPQLHAXCRABL-UHFFFAOYSA-N 429.703 2.314 30 10 IEEE C=CC[C@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286030880 HDBKNVNSALILNY-PKOBYXMFSA-N 438.546 2.462 30 10 IEEE C#CCN(C1CCCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286044549 JXQGVJJFPLJAIW-LJQANCHMSA-N 436.530 2.052 30 10 IEEE Cc1nn(Cc2nn(C)cc2I)c(C)c1B1OC(C)(C)C(C)(C)O1 2319146575 ALIWSQIDXKQCOA-UHFFFAOYSA-N 442.110 2.186 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)C=Cc1cc(OC)ccc1OC 2326878850 YVDGAVSKAKETIL-UHFFFAOYSA-N 443.525 2.498 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345734998 HBIVYQGQMWBGDI-CQSZACIVSA-N 449.332 2.080 30 10 IEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCc2ccccc2)n1 14156642 VCQHCLMTTLBSNA-UHFFFAOYSA-N 441.605 2.248 30 10 IEEE C#CCOC[C@@H](O)CN(Cc1nc2sc(C(=O)OC(C)C)c(C)c2c(=O)[nH]1)C(C)C 36207418 YDJTVNYDLNCMCK-HNNXBMFYSA-N 435.546 2.079 30 10 IEEE COc1ccc(-c2nc(SC)nc(N[C@@H](CCC(=O)O)C(=O)O)c2C#N)cc1OC 62048745 USZZRTQYHONZOI-LBPRGKRZSA-N 432.458 2.484 30 10 IEEE N#CCC(=O)Nc1cccc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 219605111 WXGBFCPOUDEUTC-UHFFFAOYSA-N 435.396 2.462 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)OCC(=O)N[C@@H](C)c1ccccc1 242750919 DGTFEYJTUKHKQO-HNNXBMFYSA-N 432.498 2.405 30 10 IEEE CCOc1cc(C=NNc2nc3c(c(O)nc(=O)n3C)n2Cc2ccccc2)ccc1O 254741090 HGEHKYAFSSIXOX-UHFFFAOYSA-N 434.456 2.434 30 10 IEEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1 299853695 OMZOJSAQNPOYTG-SXLYXVMFSA-N 448.487 2.367 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1C#N 427784385 NXRJGPAIGSQKPH-UHFFFAOYSA-N 434.543 2.483 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)c1 439720831 NUDHKMXMIZVKLR-UHFFFAOYSA-N 445.479 2.111 30 10 IEEE CC(C)C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 461292842 JUWYZLVAYCFFAG-GBESFXJTSA-N 432.484 2.443 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481067382 BALMGTSLKBTMOT-KUHUBIRLSA-N 444.488 2.434 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 481205681 CIQPVMDDIIFSJV-HXUWFJFHSA-N 431.514 2.146 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H]1c1ccc(Cl)cc1 509138628 MBKSUMBAOLOKCR-QUCCMNQESA-N 438.919 2.410 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CC3)c2=O)cc1C 516829534 PCVXHVDZXRBLKR-UHFFFAOYSA-N 437.565 2.432 30 10 IEEE CNCCCc1[nH]nc(NC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1C#N 534791407 ZZJSFUWTFFVEDI-UHFFFAOYSA-N 437.548 2.336 30 10 IEEE Cc1noc(C)c1CO[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 546588762 HJZCCZBDVVNSNK-AZUAARDMSA-N 443.573 2.353 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 549914316 HHDNZZXHEAJQCD-CTNGQTDRSA-N 434.606 2.231 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C(=O)OC(C)C 561721973 GMWLSWAUSIOVGT-UHFFFAOYSA-N 428.514 2.338 30 10 IEEE C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 576023704 AESDJWSRWMLAHB-UHFFFAOYSA-N 427.526 2.058 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 586859764 IFPHNCZEFLWXBG-MRXNPFEDSA-N 445.292 2.471 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(CCOCc2ccccc2)CC1 611190308 WSDVEBOJVARSSD-QGZVFWFLSA-N 427.526 2.481 30 10 IEEE CCCc1c(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)cnn1-c1cccc(C#N)c1 615509197 BWHOAGBWJGLSGX-UHFFFAOYSA-N 434.504 2.032 30 10 IEEE COC(=O)C(C)(C)[C@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 615989435 USPROMMBLWIJIA-LJQANCHMSA-N 438.532 2.372 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 619833760 JYLZABDKFOEXEK-QGZVFWFLSA-N 447.561 2.161 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)o1 679755607 XQYLNORXRGHDRN-QGZVFWFLSA-N 442.537 2.091 30 10 IEEE C=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)F)cc1 730141335 JHPJOMXGILGZPX-OAHLLOKOSA-N 426.489 2.473 30 10 IEEE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)cc1 732663950 IMNYCIJIUQGKJR-IBGZPJMESA-N 440.525 2.308 30 10 IEEE N#C[C@@H](C(=O)CN1CCC(c2nnc3ccccn23)CC1)c1nc(O)c2ccccc2n1 732807080 IGRIIPQGOARDAA-KRWDZBQOSA-N 427.468 2.434 30 10 IEEE COc1ccc(CNC(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 747429823 ATFQLAMKKMABSQ-UHFFFAOYSA-N 431.537 2.261 30 10 IEEE CCc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[nH]c(C)c1C(N)=O 747806266 AEDBLFILGXOCQN-JLPGSUDCSA-N 431.518 2.050 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@]1(C#N)CCc2ccccc2C1 771588504 DJJKEZUPQFAIJG-FDDCHVKYSA-N 426.517 2.070 30 10 IEEE CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cc1 784128611 PUDBVCPPQFXMID-GOSISDBHSA-N 442.545 2.367 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)cc2F)n1 788693825 GBBFIALQOHUEOY-UHFFFAOYSA-N 430.299 2.255 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCOCC2)cc1 789969256 WTSYKFVJYQZTKE-UHFFFAOYSA-N 441.561 2.001 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccc(C)o1 794312562 LMOLRLILBWCCIN-GOSISDBHSA-N 433.530 2.206 30 10 IEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCN(CC(F)(F)F)C(=O)C2)c1=S 795731679 UJQGCXBCKORGKN-UHFFFAOYSA-N 446.543 2.292 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1 798111252 WMPJNTBHYDENLN-BDXSIMOUSA-N 433.553 2.226 30 10 IEEE Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2C#N)cn1 805051039 FXQVAWGOBHJCND-CJNGLKHVSA-N 439.335 2.331 30 10 IEEE C#C[C@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1)c1ccc(Cl)cc1 810473464 CIPCNTAWGSCFFA-KRWDZBQOSA-N 435.871 2.362 30 10 IEEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO1)[C@@H]1CCc2ccccc21 812272532 KLTFNWRBEPWWSY-ILZDJORESA-N 443.573 2.194 30 10 IEEE C[C@@H](NC(=S)NN=Cc1nccn1S(=O)(=O)N(C)C)c1ccc(Cl)cc1Cl 814830053 VJKQEZCSKAYHTB-SNVBAGLBSA-N 449.389 2.404 30 10 IEEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775568 WAQAAKXWEUQAQO-LJQANCHMSA-N 445.566 2.364 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 1127421195 PWQGLBKLVDWDGQ-MSOLQXFVSA-N 429.521 2.276 30 10 IEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1 1134490560 RAOOFSILBAJXRI-HXUWFJFHSA-N 445.453 2.426 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1)c1cc[nH]n1 1136222754 WRTQPCVAMNCIGM-QGZVFWFLSA-N 441.532 2.242 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)cc1 1151005402 UTZRVMTWQAVERD-UHFFFAOYSA-N 430.530 2.217 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(Nc4ccccn4)CC3)C2=O)cc1 1178094432 HUMIDRUSRYOJND-LJQANCHMSA-N 432.484 2.261 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)Cc3cccc(F)c3)CC2=O)cc1Cl 1264914185 BETOUNPMBQFLCD-MRXNPFEDSA-N 442.878 2.179 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1286299451 VXJBRHKPLLGJJQ-GHMZBOCLSA-N 430.427 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)c1occc1C 1286308290 HFVNHQRXQGNPBM-LNLFQRSKSA-N 429.521 2.182 30 10 IEEE C#CCN(c1nnc(CC)n1CC1(c2cccc(OC)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1286395050 QKYFUICEOIYQRZ-GOSISDBHSA-N 428.558 2.208 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCC(C)CC1 1286463951 OWVKBMSPVUYVCS-UHFFFAOYSA-N 425.533 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN(C)CC(F)(F)F)CC1 1286486524 NYWINUHCININGY-UHFFFAOYSA-N 442.530 2.426 30 10 IEEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1286620276 IDVXKYRODVAMTG-MRXNPFEDSA-N 446.987 2.497 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1286698150 NSGJHMORMVKPHU-INIZCTEOSA-N 425.541 2.473 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1286798406 KMTWRIWHDYETDD-CVDCTZTESA-N 439.516 2.272 30 10 IEEE CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1286969937 SNVVPEMRBSWSJX-RTBURBONSA-N 436.626 2.288 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1CC1 1288828002 CIEHSIWLQQRVOI-HNNXBMFYSA-N 444.561 2.218 30 10 IEEE C[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1291246729 SXVZUKYMOPNOAL-MEUCICPISA-N 428.537 2.466 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1293363745 XUDAKWPLEKMNGX-FQEVSTJZSA-N 448.608 2.086 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCCCCC1 1297274909 HOOYHAJADOZZQM-UHFFFAOYSA-N 438.580 2.284 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1300267062 CVBIZMQNDSKUME-SFHVURJKSA-N 445.527 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1300273328 QFQPNNAFKFWRGY-KBPBESRZSA-N 431.518 2.149 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300412498 BBGLDXFVVUVOPP-REWPJTCUSA-N 449.603 2.056 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc(COC(C)(C)C)on1 1300553394 GZMWGHIOXWDYBM-UHFFFAOYSA-N 426.521 2.231 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1300626858 XZBIMHITOOTINS-GOSISDBHSA-N 431.562 2.278 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nnc(CC)s2)CC1 1300703598 MBLUQPPHQNTQHZ-UHFFFAOYSA-N 437.573 2.095 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1300719021 LMYSUJGHRWPICC-KNQAVFIVSA-N 446.555 2.334 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCOC1 1300983670 MDZLXJXEQNMHQE-KRWDZBQOSA-N 448.593 2.304 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301434036 CHUJEMXRDMIAKZ-INIZCTEOSA-N 426.340 2.237 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1301463551 ZGAKQUFRQRLYRB-UHFFFAOYSA-N 438.557 2.102 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1301490901 HVCMTLIWDZXBQH-IBGZPJMESA-N 440.548 2.197 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1301490902 HVCMTLIWDZXBQH-LJQANCHMSA-N 440.548 2.197 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301507341 ZUWLAMUISXBQNW-AZUAARDMSA-N 425.533 2.185 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)OC)C1 1301544220 UNAPIWPEWNCEFN-WBVHZDCISA-N 448.593 2.363 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc(C3CC3)n2CC(=O)NCC(F)(F)F)CC1 1302999878 FULHSDSUYZOSTB-UHFFFAOYSA-N 433.438 2.032 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1 1305116013 AOYHGZDSWGYPPX-QGZVFWFLSA-N 431.500 2.033 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1csnc1C(=O)OC 1309403005 OFPSNPSAGYHNPB-OAHLLOKOSA-N 438.527 2.281 30 10 IEEE C=CCCC[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1312368744 GBCBFHQZQRLORQ-INIZCTEOSA-N 444.598 2.008 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 1312788705 LSQNBUFHSBXCMA-UHFFFAOYSA-N 448.633 2.200 30 10 IEEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)(C#N)CC1 1315819044 LNLCTSNPBYNTOM-HNNXBMFYSA-N 449.556 2.353 30 10 IEEE COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1316109427 DEQUDTBMVSELAU-PMACEKPBSA-N 443.573 2.157 30 10 IEEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1344643722 RILJQRVYZIKCIN-UHFFFAOYSA-N 430.578 2.275 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](OC)C1 1358922392 DASGYNPCVNGOMD-GOSISDBHSA-N 431.562 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358993690 UWKQUCAKDBIVNQ-QHCPKHFHSA-N 447.583 2.250 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CCCO 1359002508 BZJMKBVZVRYATG-MRXNPFEDSA-N 435.370 2.342 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC1(CN2CCOCC2)CCCCC1 1359006633 COVCOJMZIKKXOS-UHFFFAOYSA-N 425.581 2.421 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1359013716 JLHGTXGQQQYDPP-UHFFFAOYSA-N 433.578 2.163 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359034981 IFWPGJZXJDAXIQ-FGZHOGPDSA-N 428.625 2.295 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359205487 ZQYTUJBPIBZRMO-OAQYLSRUSA-N 437.592 2.363 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1359230388 QAOYPHQHIAWFCD-UHFFFAOYSA-N 440.529 2.141 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(C)o1 1359291666 ZRARLKOTIJLSAO-INIZCTEOSA-N 435.488 2.471 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359294903 IRDUOSPDPUIKDZ-MRXNPFEDSA-N 441.492 2.233 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(C)C)C1 1359321426 GFAUHBORIHDYEX-DLBZAZTESA-N 428.624 2.351 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1359334405 DOXHXNYEISUJQR-UHFFFAOYSA-N 443.617 2.462 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCCO[C@@H](C)C1 1359335233 FHKDYGKMRNTJPP-INIZCTEOSA-N 438.525 2.212 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1359588701 XHADUVQBMBPDDL-XHDOVSQSSA-N 432.506 2.129 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)n2)cc1 1361015757 NJWOCDQJFKYJFE-UHFFFAOYSA-N 436.375 2.139 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1440894482 WLNCYXJKJDCQTR-AWEZNQCLSA-N 437.990 2.391 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)c1 1452464147 VMWSXTQMIUZAOC-LEWJYISDSA-N 441.505 2.218 30 10 IEEE C#CCN(C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCN(C)CC1 1456169624 PLZXOLDLPGJBED-UHFFFAOYSA-N 445.507 2.320 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1467707521 PIIQVMZJHXMDDP-IPRDPGLQSA-N 438.528 2.469 30 10 IEEE C#CCN(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCCC1 1471318555 BOOCOYZQNQPLGI-SFHVURJKSA-N 441.594 2.388 30 10 IEEE N#Cc1cn(CCNC(=O)NCc2ccc(OCc3ccccc3F)cc2)c(=O)nc1O 1478383977 HKKAWNKKNZLFEM-UHFFFAOYSA-N 437.431 2.038 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCNC(=O)C(C)C)c1 1507550039 SRDQKKCHGYJYQK-UHFFFAOYSA-N 445.527 2.169 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1507627001 BWQDTENCUZUJTM-MRXNPFEDSA-N 442.570 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC=CO1 1507653864 WHSVRNDVVRMACH-GOSISDBHSA-N 428.496 2.440 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1507703997 LNSFAVRKQVISDT-KOSHJBKYSA-N 435.528 2.428 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1507836361 IQEZBXXFINBUBE-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507848028 UBWQCURQLUSKQP-FQEVSTJZSA-N 439.560 2.476 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507921862 YZVLSEQZWYXPRD-GOSISDBHSA-N 444.580 2.003 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1508072453 IEDQVYUVKPCWEN-LRDDRELGSA-N 449.353 2.342 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCOCC2(CC2)C1 1508093451 IGNRNTAPOIQRMF-UHFFFAOYSA-N 443.573 2.498 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccon1 1508104158 IRWCXMXOWXLHCE-KRWDZBQOSA-N 443.529 2.418 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(Cl)cn2)C1 1508112407 AGTCNFQQKBVJLR-FXAWDEMLSA-N 436.944 2.262 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCCC1 1508416248 FPWPHSLCXWCEAF-KRWDZBQOSA-N 434.552 2.391 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)C1 1510290141 SPNNWGPCJGBGAI-IBGZPJMESA-N 449.968 2.159 30 10 IEEE CN(C)[C@]1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCSC1 1516998193 HLTDLTCAQLEKDY-IDVKNYFZSA-N 448.637 2.363 30 10 IEEE CN(CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)OC(C)(C)C 1517321820 WRWKLJOQHNDCKR-ZWKOTPCHSA-N 445.568 2.173 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)C1 1517482394 FPGFHABIVZRUBY-QHCPKHFHSA-N 434.500 2.353 30 10 IEEE COCCOC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CCOCC1 1519345466 QGQMLLDOBJYVFT-IBGZPJMESA-N 433.553 2.124 30 10 IEEE COCCOc1ncccc1Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1C(C)(C)C 1519353831 GWTPQRSYXBJLFC-IBGZPJMESA-N 439.564 2.221 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1520265558 CHEWHDYRNYMYHE-HKUYNNGSSA-N 429.546 2.476 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCNC(=O)c2cccc(O)c2)C1 1521069482 MBMMQXBDQAVYLI-HSZRJFAPSA-N 449.490 2.232 30 10 IEEE C[C@@H](Sc1nc(CC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cs1)C(N)=O 1522168738 VZNYRJJPJVXRFA-GFCCVEGCSA-N 440.554 2.240 30 10 IEEE C=CCN(C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)[C@@H]1CCS(=O)(=O)C1 1537473756 GRUUNXFRXZIIFZ-XQBPLPMBSA-N 432.542 2.237 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1539284940 VIRLUCARWYNUCA-OALUTQOASA-N 443.548 2.228 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(CC)CCC)CC1 1539445863 JDIWIRMSMWWIBK-UHFFFAOYSA-N 448.575 2.081 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1539446517 FBYHOLLFKARKRA-NRFANRHFSA-N 436.560 2.025 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1539516980 GQZURBFSTCGMQK-AZUAARDMSA-N 428.558 2.433 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1539547128 RTJLPNAEUJNRJW-OAQYLSRUSA-N 426.546 2.137 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1539649973 HMFZBVOVXRQPHU-INIZCTEOSA-N 449.577 2.305 30 10 IEEE C=CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540021463 RIGUPLUKUGWXJG-QFIPXVFZSA-N 432.569 2.279 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1542354395 DIWFWBADNSIMLR-SFHVURJKSA-N 431.508 2.236 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@H](C(F)(F)F)O1 1544754063 BXZOTPQRLIOAIX-CXAGYDPISA-N 448.449 2.499 30 10 IEEE CCc1nnc(N(CC)Cc2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1546435263 QMNKOTFJSGZWJL-MRCUWXFGSA-N 438.488 2.122 30 10 IEEE CCCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C#N)C1 1547247799 ICDYVBYJFJHBDZ-VQIMIIECSA-N 442.520 2.072 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1555420689 FNNRTNDSEHPHQV-DEOSSOPVSA-N 447.543 2.326 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1555470194 LFEQSGRVBKVSRA-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C)cc(OC)c1 1555753261 MADBBXSHUZCFTM-SXLOBPIMSA-N 427.505 2.096 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1565156987 VXNKWYONUFZXAG-OAHLLOKOSA-N 447.479 2.150 30 10 IEEE N#C[C@@]1(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CCc2ccccc2C1 1567743718 KSIJKHZEONJAMA-JOCHJYFZSA-N 425.510 2.358 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1570148085 DNEAJROPFUGINN-IAGOWNOFSA-N 439.553 2.435 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 1583736454 UXGFQGFNVAYYEK-UHFFFAOYSA-N 426.317 2.429 30 10 IEEE CCOC(=O)Cn1cccc(NC(=O)COc2ccc(C#N)c(Br)c2)c1=O 1584041230 BKRMKSUSODNVPL-UHFFFAOYSA-N 434.246 2.063 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(C)(=O)=O 1587575152 QKYCFHFPWMSECD-MRXNPFEDSA-N 426.546 2.199 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCOC2CCOCC2)CC1 1588791240 PLGRYMQNYOOBRQ-UHFFFAOYSA-N 427.524 2.425 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1589053090 GSXYZHGBHTWSPQ-QGZVFWFLSA-N 425.562 2.055 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1589178448 XJVWFYGHMPWNJC-JOCHJYFZSA-N 441.967 2.150 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1589657943 OFRQZNPWHPZEBL-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)cc1 1596365418 IHBVZOGFUZLPBB-LJQANCHMSA-N 426.498 2.472 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1596830443 ANZKFPOBDWTKQM-PXNSSMCTSA-N 440.548 2.497 30 10 IEEE CC(C)C(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1598068201 CTDKLQRBXXSXPK-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE O=C(NCc1cccnc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc4ccccc34)S[C@H]12 1614388855 MVPYMTXFTKPAPB-ZQOQTTQJSA-N 448.548 2.354 30 10 IEEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1NC(=O)c1ccccc1F 1618171522 ASJJFJOLZSWJEY-KSFYIVLOSA-N 441.484 2.397 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1nc(C(=O)OCC)n[nH]1 1618277792 KHEZQBUANGNJDC-GJZGRUSLSA-N 435.525 2.492 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1COCCO1 1619900039 QDLCEBZCLRTGKL-SFTDATJTSA-N 441.532 2.112 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOCC1(C)C 1619988589 OKOWHHLIOPUIET-SFHVURJKSA-N 434.585 2.243 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1620071314 KREURMUAZJAPMW-PMACEKPBSA-N 438.532 2.117 30 10 IEEE C=CC[C@H]1CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1620649438 UGTYRIQMHCHCMP-KRWDZBQOSA-N 437.562 2.084 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F 1621679191 PLSUIMPGVMFVGF-NSHDSACASA-N 439.914 2.020 30 10 IEEE C#C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)c1ccccc1 1622280653 OGIZQKSGKPMWIE-ACRUOGEOSA-N 428.510 2.316 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CN2CCCC2=O)ccc1Br 1622448223 CGMGLDAWNHIQQV-CQSZACIVSA-N 426.336 2.486 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1625082690 QFDAVMCGLQRYGB-MRXNPFEDSA-N 449.916 2.201 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cc(Cl)ccc1OC(F)F)c1cc[nH]n1 1629910909 NVVJTPOTHUHSRO-UHFFFAOYSA-N 430.795 2.265 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)n[nH]2)c1C 1632501162 NRLUZPXPBJVUBI-YJBOKZPZSA-N 444.536 2.176 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CCCS2(=O)=O)CC1 1633103317 AMMBQERGUOCEQF-SJORKVTESA-N 440.363 2.125 30 10 IEEE COc1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc(Cl)c1OCC(N)=O 1639265368 MJKBCWZUWCQXDB-KRWDZBQOSA-N 442.903 2.435 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@@H]2O)c1 1642291655 XQDGHXDSKGJVKU-MOPGFXCFSA-N 436.917 2.211 30 10 IEEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)[C@@H]2C1 1652969779 UGIXLGWGCNJLGV-AWBCAMRRSA-N 432.318 2.461 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)CCOCC1 1657026301 FZUTZOYWCNWYIU-UHFFFAOYSA-N 434.283 2.226 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cn(C)nc1-c1ccc(C#N)cc1 1660010953 FQTYETRIUHMJEA-UHFFFAOYSA-N 443.504 2.256 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1OC 1668882075 HCDOWHQZLVBFSM-LAUBAEHRSA-N 435.546 2.486 30 10 IEEE C=CCN(C(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl)[C@H]1CCS(=O)(=O)C1 1674744414 HAWIRRMYPPZMGZ-LBPRGKRZSA-N 443.909 2.292 30 10 IEEE C#CCN1CCC(NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 1683803853 JTSJJVMOBOBUBV-IBGZPJMESA-N 434.581 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1689848461 VWRQXDVGFIDNLW-LHEBDHONSA-N 440.573 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1690047694 XBNNYJFJKNXUOD-LJQANCHMSA-N 449.536 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(C)COCCO1 1690101170 QXBXOOMWYRMJHO-HSZRJFAPSA-N 437.500 2.492 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCSCC2)CCCC1 1690104464 XKQFOEIPSMENLH-LJQANCHMSA-N 433.622 2.230 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NCc2ccccc2)CC1 1690131437 ZRHIJFVZHQOGLK-UHFFFAOYSA-N 448.596 2.392 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690178575 CKRCOEZBXKPNJC-GOSISDBHSA-N 428.562 2.345 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1C 1690265567 QDHPKNLPEPSKKG-KURKYZTESA-N 425.599 2.450 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690330182 CMHATIFRGGPMGP-INIZCTEOSA-N 431.928 2.348 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690663599 BEENSAPIHPTPHQ-OAHLLOKOSA-N 448.930 2.344 30 10 IEEE Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1693089185 OTZLYIAEQGJJTF-OAQYLSRUSA-N 437.435 2.351 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1694352291 VHUFEEHJTNUFHY-MOPGFXCFSA-N 443.596 2.188 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc(C(C)(C)C)s1 1705574943 SSBBCYMSVXQZSL-OAQYLSRUSA-N 428.562 2.200 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc(C)s1 1705575341 HOQPVXYNVNUXBS-UHFFFAOYSA-N 430.335 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1ccco1 1705578041 CVYAOZCSBGLAFG-UHFFFAOYSA-N 433.468 2.058 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1705612065 YAWXOFGCJFWSRX-UHFFFAOYSA-N 442.483 2.455 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(CS(C)(=O)=O)c1 1705627696 NOXUJVFQSHXVNF-HXUWFJFHSA-N 446.573 2.199 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1705700124 OYOYHVQOBPXMQI-BBWFWOEESA-N 429.487 2.448 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705729004 HSKCUZYOEZRIKW-GOSISDBHSA-N 443.552 2.257 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705934086 ATGBFMQMQIGBQE-RBUKOAKNSA-N 431.562 2.397 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1705939879 OYQWALQRZQWAOP-UHFFFAOYSA-N 443.577 2.149 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1706748408 VATXNYJVACKQLK-BBRMVZONSA-N 429.912 2.249 30 10 IEEE Cc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707907242 DAFFDQXCZNGFFR-DNTCVELPSA-N 441.561 2.058 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CCO1 1709326841 BHUZPBNPAFKZMB-INIZCTEOSA-N 441.513 2.477 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722325660 BQTANWCPCRAXHJ-MRXNPFEDSA-N 432.410 2.102 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1722333155 HOGOBFPHCAABPS-QGZVFWFLSA-N 432.569 2.378 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722361368 MLEFHMKSOUGLGL-LJQANCHMSA-N 431.562 2.030 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OCC)C1CCCC1 1722384916 ZONWAQRNAVILRO-WOJBJXKFSA-N 432.590 2.238 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@H]1C 1722418716 ZUCRWLZMTRMPNR-GOSISDBHSA-N 437.523 2.178 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(-n3cccn3)cc2)CC1 1722447448 LHHVBFMTZWFRQD-UHFFFAOYSA-N 431.544 2.235 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722455922 YAYLPMUPVXDUDQ-DLBZAZTESA-N 441.557 2.044 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)CCCS(C)(=O)=O 1722486942 HEOINDNHCXCJDR-UHFFFAOYSA-N 448.412 2.413 30 10 IEEE C=C(C)Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722525539 BZCVLZAIZWMPCD-HSZRJFAPSA-N 433.597 2.443 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CC1 1722568692 WIBUMZPAUTUEPT-UHFFFAOYSA-N 444.561 2.215 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC2CC2)CC1 1722701903 AHUDTGTZFLABCJ-UYAOXDASSA-N 430.597 2.031 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1722727404 OFUPABIKLSXRGR-GOSISDBHSA-N 426.583 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCSC[C@@H]1C 1722730267 MYRAJUNHEVEYLI-KRWDZBQOSA-N 436.603 2.442 30 10 IEEE CC(C)(C)NC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1722974848 KTHVMVZYMKCPLO-INIZCTEOSA-N 441.536 2.315 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)C1 1724001794 BNFHNVOXJRKIFU-YWZLYKJASA-N 429.912 2.487 30 10 IEEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1729501849 DZRJNJXFXOEXCG-UHFFFAOYSA-N 444.586 2.496 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC[C@@H]1C 1730405276 KHECJWMRQGAEBJ-QFBILLFUSA-N 426.521 2.068 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)cc1 1731184906 LAWHELXYBCQWAJ-QGZVFWFLSA-N 432.431 2.129 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740567086 NTMLEBWAEPXFAO-VQIMIIECSA-N 449.552 2.409 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740575619 PREWTLCUZBNEGK-MOPGFXCFSA-N 437.610 2.083 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1740607317 MBKGJUKGVKPEOX-UHFFFAOYSA-N 449.559 2.468 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCc1nccc(C(F)(F)F)n1 1740687187 UWHTZHLZEVSSIX-UHFFFAOYSA-N 445.449 2.401 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740889997 PXVFDQHDSLCTNG-ULQDDVLXSA-N 448.568 2.063 30 10 IEEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C)C1CC1 1740910149 KPLSOQVGNPBNCG-UHFFFAOYSA-N 438.580 2.475 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740995748 WLIDYMSLQVILIM-KRWDZBQOSA-N 435.594 2.208 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1741658183 QGJZJTWIZDFBHG-HXUWFJFHSA-N 437.520 2.163 30 10 IEEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)o1 1742194009 AJRKFPAOJLHZKN-VGSWGCGISA-N 443.527 2.231 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCCO[C@@H]2CCOC2)n1 1742699732 YUELSOGLJMDHJD-HXUWFJFHSA-N 427.553 2.465 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744717425 JKZPMNKAEVFGJX-HMDOMZECSA-N 440.479 2.084 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(C)c2)CC1 1746511927 YCWMMIOWEAUPBV-UHFFFAOYSA-N 449.584 2.493 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1748808188 AVRMOIWIPSBLAB-LJQANCHMSA-N 430.574 2.433 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1748816392 ZNPPAEKCQBOZSP-UZLBHIALSA-N 428.558 2.274 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1748820527 DFEPNTXLLQSYEG-LJQANCHMSA-N 435.638 2.225 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1749064666 FPGIQAMHCBRZKC-DRSNIGMVSA-N 430.553 2.382 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1751927856 CUVMLRUYTKQINA-UHFFFAOYSA-N 438.536 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccn1C(F)F 1760111398 ZSVYIOGGTNIVSG-ZDUSSCGKSA-N 448.503 2.336 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCCC[C@@H]2C)CC1 1760252962 ZHFGYOHNIBQCQP-FQEVSTJZSA-N 443.640 2.216 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1CCCO[C@H](C)C1 1760289678 QQQJMKGLPJZJRX-ZRCGQRJVSA-N 433.597 2.495 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1760348835 NQAREIYLIDJABA-LJQANCHMSA-N 447.580 2.129 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1760555111 XBTTYPAYSRFPNW-UHFFFAOYSA-N 440.573 2.498 30 10 IEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1760560316 SDTJQYNXBHEEIK-UHFFFAOYSA-N 439.383 2.292 30 10 IEEE C[C@H](N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F 1761453891 WIICWYPHYFKZAW-ZDUSSCGKSA-N 432.410 2.321 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1766848726 RZSWIMBDYROCPH-PWHSHALESA-N 443.596 2.202 30 10 IEEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)C(C)C 1766897729 AHDHCMXLQMYWDK-FQEVSTJZSA-N 444.605 2.419 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1770734977 ACQLHEQCROEUPF-RDJZCZTQSA-N 447.465 2.013 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCC2)c1 1771343758 KGTGLEDEPIVKPY-AEFFLSMTSA-N 427.530 2.434 30 10 IEEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1 1851145176 QXQKJYKGYBOZLU-MRXNPFEDSA-N 447.499 2.091 30 10 IEEE Cc1ccc([C@@H]2[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cc1 1851892198 KOYAMPPVHWOMEJ-JTHBVZDNSA-N 447.539 2.147 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1852481188 UTEWXXHFRMYWSS-INIZCTEOSA-N 433.424 2.102 30 10 IEEE N#Cc1ccccc1OC[C@H](CS(=O)(=O)c1ccccc1)OCCN1CCCC1=O 1852834696 MTFVJEPUGHIIEG-LJQANCHMSA-N 428.510 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)Nc2ccc(F)c(C#N)c2F)CC1 1852943867 IMCQLNYGTIHBJC-OLZOCXBDSA-N 434.443 2.490 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN([C@@H](C)CCC#N)C(C)(C)C2=O)cc1 1856769133 VYQZOCSHIQBPHB-INIZCTEOSA-N 435.546 2.001 30 10 IEEE C=CCNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1)c1ccccc1 1861609355 NKPKMHAXFXGEBY-DENIHFKCSA-N 449.507 2.376 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862444664 DESZUMSKFMVRRS-GOSISDBHSA-N 430.844 2.466 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862594227 QFMZRSJTFQXKGI-SFHVURJKSA-N 425.397 2.015 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 1870143092 WIHOVZJHIZCRCW-CYBMUJFWSA-N 430.424 2.079 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 1870149300 JAXSITXOMSMXLW-QGZVFWFLSA-N 430.468 2.443 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(N(C)C)c3)CC2=O)cc1 1870159133 HJYZVRXZHRRLDG-OAHLLOKOSA-N 445.483 2.205 30 10 IEEE CNC(=O)COc1cn(CCN(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870304168 DJRYCLOQYXMHCC-UHFFFAOYSA-N 443.573 2.019 30 10 IEEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870866620 RVBUGVUJNWWPLD-UHFFFAOYSA-N 449.529 2.014 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683741 WILITTBTGDVCAQ-UHFFFAOYSA-N 443.502 2.340 30 10 IEEE CCOc1cc(/C=N/n2cnnc2SCCCO)ccc1OCC(=O)N(CC)CC 1874539534 KDPKWIKFWMEHCC-LPYMAVHISA-N 435.550 2.281 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C4CC4)[C@@H]3c3cccnc3)CC2)cc1 1892118227 VHXCVQROHAHQGT-DHIUTWEWSA-N 447.564 2.450 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2009848533 CEWAYOMWZRPMHW-LHSJRXKWSA-N 441.525 2.426 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@]12CCCOC2 2054340178 YBPXIAJRRCTDKH-CZUORRHYSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC(O)C1 2067742719 KVOAWLVZFVPNNU-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2068906988 FFFUXBSSURJWDB-IXDOHACOSA-N 434.342 2.411 30 10 IEEE NCC#Cc1ccc(Cl)c(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2145991860 PGJVFJGUOMAFKN-UHFFFAOYSA-N 445.928 2.468 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778279 NLFOQGOYJXCNLY-RYUDHWBXSA-N 447.204 2.401 30 10 IEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2244004380 RRONXRKLUVOKFB-HNNXBMFYSA-N 427.542 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247918979 NTFQQCUTJQEFDB-MPBGBICISA-N 435.355 2.182 30 10 IEEE COC(=O)[C@H](CCNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2255607411 YZJKXPLVBPUAKK-KKUMJFAQSA-N 440.346 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2255634989 CUVAVQKXKLZZEP-ZSOGYDGISA-N 449.382 2.285 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255701978 ZISRPNWSIWNZCN-UHFFFAOYSA-N 431.342 2.320 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825683 DEKALBKJRGTNMA-ZFWWWQNUSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CC1 2256013601 HFKQXMSCTYNKDW-UHFFFAOYSA-N 432.326 2.384 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2258955868 AVHDXYNIWOCGGM-YESZJQIVSA-N 434.342 2.294 30 10 IEEE Cc1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267005179 KTDMIKBMNGLDFX-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CN(Cc5ccccc5)C[C@]4(C)C3)[nH]n2)OC1(C)C 2267135541 DNUVLYMJGAMFQI-HOYKHHGWSA-N 436.365 2.303 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267147950 YBJKBGTYDHZBKN-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2267168663 UBWODBKQHDJAIZ-HNNXBMFYSA-N 446.357 2.294 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267185330 UGYMAYPPCWWKPR-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267505884 OZLXEYPNXHRPET-MJGOQNOKSA-N 438.381 2.217 30 10 IEEE CCN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267523877 IBTOFVUJGFQTDM-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2267819093 NBYRHQHHCBRBTP-JOCHJYFZSA-N 448.325 2.411 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871682 CSGLOXAAHVMOLE-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268699309 FSZMNJFTCMJFQR-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268717200 JJXWGAJLMMLDAG-GJZGRUSLSA-N 447.341 2.249 30 10 IEEE COCCn1cc(C#C[C@@H](O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318096166 DWRKIFLVRHUULA-FCHUYYIVSA-N 442.560 2.267 30 10 IEEE COc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)c(OC)c1OC 9540308 MUZIRGJCQBJVGS-ODLFYWEKSA-N 433.489 2.260 30 10 IEEE Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 33390450 LXPKGSPNTHYVCU-SXGWCWSVSA-N 432.571 2.259 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 96582029 IUVCZUPDXNXANJ-QHCPKHFHSA-N 436.468 2.146 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)c1ccc2c(c1)OCO2 254410679 XMYMFOZSIAVORK-MAUKXSAKSA-N 430.507 2.326 30 10 IEEE C[C@H](C[C@](C)(N)C#N)n1cnc(I)c1I 379775095 ATUPNLOLWUJOBW-MUWHJKNJSA-N 430.031 2.284 30 10 IEEE C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 431247743 OMNGYLMAWUCNQR-INIZCTEOSA-N 435.575 2.142 30 10 IEEE C=CCn1c(Cc2noc(-c3cc(Cl)c(O)c(OC)c3)n2)nnc1N1CCOCC1 443211695 ZBRXSOPCEUQQBM-UHFFFAOYSA-N 432.868 2.309 30 10 IEEE Cc1cnc([C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C2CC2)s1 466118556 UKAUDHNJVJIOKO-GOSISDBHSA-N 445.570 2.490 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(C[C@H]3CCCO3)c2=O)n1 477444202 OSTJWRFTTDWMLU-DOTOQJQBSA-N 441.553 2.001 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c(F)c1 481066107 ZULPYJFWSNJWKP-UHFFFAOYSA-N 431.489 2.017 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508894129 JZLMGQGRVOQAMJ-CQSZACIVSA-N 442.911 2.325 30 10 IEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508960013 IDRCHQZHVNCKHC-KRWDZBQOSA-N 436.520 2.192 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513787819 FXXNGGHIOJNHCV-OAQYLSRUSA-N 427.482 2.116 30 10 IEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C 514648696 PIVAOSYWMRZUBD-UHFFFAOYSA-N 447.560 2.172 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(c2nn[nH]n2)CCCC1 522855545 HUCPMUWCSUACPS-UHFFFAOYSA-N 435.282 2.197 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@@H]1CCCO1 524577344 JEZZSDSPCSIOBX-IBGZPJMESA-N 439.581 2.125 30 10 IEEE N#Cc1cc(S(=O)(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1Cl 548473692 MSFTZACUROCGFH-IBGZPJMESA-N 447.900 2.027 30 10 IEEE C=CCOc1ccc(CNC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 554248452 XBBXORLUUJWYLG-UHFFFAOYSA-N 444.557 2.191 30 10 IEEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 558822872 QCKKHHCCFNNFLQ-AYHJJNSGSA-N 427.530 2.163 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 576865444 UBYBLEKIKMRPCP-AEFFLSMTSA-N 435.550 2.294 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccccc1C 603800015 OSJUBIOAWYOKIH-UHFFFAOYSA-N 437.471 2.291 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2C1=O 728087391 VBCDMXVHTCEGDK-GFCCVEGCSA-N 434.404 2.228 30 10 IEEE C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730305204 WZPNELMPPXOPLS-XJKSGUPXSA-N 438.933 2.080 30 10 IEEE CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)[C@@H]1CCN(c2ccccc2F)C1=O 732812350 AJVDUNAKZXWEDS-DNVCBOLYSA-N 433.443 2.388 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2cccc(OC)n2)C1=O 735225266 HXAZVWCCAWRMLC-INIZCTEOSA-N 428.470 2.087 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 737304966 DOTDSDVMJWIHPO-HNENSFHCSA-N 446.891 2.243 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 746311257 CMHUKXUZJCCRPN-JVMRMLDLSA-N 428.489 2.285 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 747435447 HMONHTTXSDYWMF-UHFFFAOYSA-N 429.565 2.337 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 756886768 PBGUFKZNWBWVEW-SZMVWBNQSA-N 428.489 2.293 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCO)C(=O)O 757335599 ZXCKLEPWXSTUKC-RTWAWAEBSA-N 438.480 2.422 30 10 IEEE C[C@H](NCc1ccc(C#N)cc1F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 765813331 PNKPJMMSDINIEL-ZDUSSCGKSA-N 425.507 2.274 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 772898420 LZFMXRAATVZQSQ-UHFFFAOYSA-N 432.549 2.239 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2COC3(CCCC3)O2)C1=O 773178002 PTXCGMFZXIMGBT-DOTOQJQBSA-N 428.514 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)O[C@H](C#N)Cc1ccc(F)cc1F 777357177 SFVPHTLQGJQPAA-RDJZCZTQSA-N 437.443 2.458 30 10 IEEE N#Cc1ccc(N2CC[C@@H](OC(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)C2=O)cc1 780255059 NXVSBMCXZWYWAZ-YKSBVNFPSA-N 449.463 2.292 30 10 IEEE COC(=O)CC1(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCCC1 791767019 DQOCLPLESKJMHR-HAVVHWLPSA-N 436.534 2.497 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)OCC)cc1 799033510 ACJMGSRAEIKZIY-LJQANCHMSA-N 448.928 2.156 30 10 IEEE CSC[C@@H](C)C(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 799627702 IEYCGFONPLEVDH-KDOFPFPSSA-N 446.529 2.158 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCO2)cc1OC 802689282 MUVZYIGBQUZIFU-RBUKOAKNSA-N 438.532 2.318 30 10 IEEE C#CC[C@]1(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CCCN1C(=O)OC(C)(C)C 809623828 AQRAFACVIAMFEI-UZUQRXQVSA-N 431.508 2.379 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809809599 SQHHGFBSMVUUIY-QGZVFWFLSA-N 432.546 2.296 30 10 IEEE CC(C)OCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916872341 BBFRESKLGFNYGH-UYAOXDASSA-N 431.508 2.247 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1135836731 UWVRWZLXIZNBTJ-HYBUGGRVSA-N 442.560 2.353 30 10 IEEE C#CCCN1CCN(C(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1136499081 KRAVITAQYHDHCE-HXUWFJFHSA-N 440.544 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1141570802 QGAUKNFHVDDWMU-HKUYNNGSSA-N 442.516 2.349 30 10 IEEE C[C@]1(c2ccc(NC(=O)COc3cccc(Br)c3C#N)cc2)NC(=O)NC1=O 1141628292 QUZGKTOIXYLUNP-LJQANCHMSA-N 443.257 2.393 30 10 IEEE CC(C)C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1142686712 HJGWTODQTAVRHI-DOTOQJQBSA-N 437.562 2.345 30 10 IEEE C=CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1158281404 TYRLZISRXUEYJU-WFASDCNBSA-N 436.452 2.386 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 1171792612 WEWQJTRHONOOST-OAQYLSRUSA-N 444.557 2.193 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1 1177754982 RARRBWDTLDDOCG-SFHVURJKSA-N 427.526 2.323 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1C#N 1186740356 XSYXBEZUUMUSIA-UHFFFAOYSA-N 440.279 2.039 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)CC1 1195043052 VONOOUXUIWXRMA-UHFFFAOYSA-N 428.352 2.092 30 10 IEEE C#C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(F)cc1 1211945892 HNAXOXQTJCKDBC-RTWAWAEBSA-N 446.500 2.457 30 10 IEEE Cn1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(-c2ccccn2)n1 1253022816 GKRDSMPYRJOHEJ-KRWDZBQOSA-N 429.440 2.197 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1254047748 HZUOCRBMKDGRFA-LJQANCHMSA-N 432.521 2.352 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)[C@H](C)CC 1286362948 LFXUTLGGBIMTNI-MRXNPFEDSA-N 431.610 2.346 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1286392359 LNLBCRROFDYOPX-SUOMESGTSA-N 438.557 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1CC1(O)CCOCC1 1286434028 CFLQDXWBHAGSEA-UHFFFAOYSA-N 438.528 2.260 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nnc2n1CCC2 1286457821 WQXZBXRSOOKSSP-INIZCTEOSA-N 439.495 2.229 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286460422 NDUWBMCNPNQPDQ-BGYRXZFFSA-N 436.560 2.402 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C/C=C/c2ccccc2)CC1 1286469891 NXYGDMUVZDVNBC-DHZHZOJOSA-N 427.512 2.394 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286601153 HRQQHNVAWMIHBQ-HOTGVXAUSA-N 445.486 2.473 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1286967632 FURSSSYKSIHYDD-DOTOQJQBSA-N 438.598 2.033 30 10 IEEE CC(C)NC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1288247500 AKDAPSJNDNDPPY-HSZRJFAPSA-N 440.548 2.351 30 10 IEEE Cc1ccc(N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1289713066 CUFGKHMUISOGTD-VZCXRCSSSA-N 430.472 2.338 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1298722339 JDLVHMCLVAJYRQ-UHFFFAOYSA-N 434.548 2.262 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1300358444 UURQMXPPNVHHGU-HXUWFJFHSA-N 429.525 2.484 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1300487133 GWMPALHBLPHHFZ-QGZVFWFLSA-N 427.555 2.385 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1300602293 OYSXXLVZXUTOIU-ZDUSSCGKSA-N 434.547 2.113 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N(C)C)CC1 1300683408 NRBPRSBAUFQCDA-QGZVFWFLSA-N 444.967 2.305 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2cn[nH]c2)CC1 1300690103 BGVAKPJCVCPDJB-UHFFFAOYSA-N 446.378 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](F)COC)CC1 1300726442 LDBAYDBLVRXPID-IBGZPJMESA-N 447.942 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1300727308 WETNCWDDYRVDKG-HNAYVOBHSA-N 440.548 2.156 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccco2)CC1 1300730541 AJFHFNQGNLHTFU-UHFFFAOYSA-N 449.511 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)C1 1300870043 PEOSGLMLVIDSOA-YJBOKZPZSA-N 433.459 2.464 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1300935232 OBTXMWFSXMQMMR-XUVXKRRUSA-N 445.589 2.490 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1301530248 QXQZFHYEZMSPOG-RTBURBONSA-N 432.546 2.366 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 1301554840 OGTFGPMOJZFIBD-AQNXPRMDSA-N 442.539 2.453 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(F)(F)Br)CCOC1 1314115359 ZAZWHZWJTNFWDS-ZIAGYGMSSA-N 438.248 2.360 30 10 IEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1358904172 XQJCHKPAGDKMBP-QFIPXVFZSA-N 442.951 2.367 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1358912628 VEIRKQQOFSDLSC-IBGZPJMESA-N 437.548 2.144 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1358999721 ATBLUXGFVVZMPK-MRXNPFEDSA-N 443.573 2.386 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(N(C)C)c2)CC1 1359028579 XDDUGQNBSHWFGN-UHFFFAOYSA-N 437.592 2.066 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC(C)(C)C)CC1 1359037437 JJYWATZLDGHTQB-UHFFFAOYSA-N 447.587 2.410 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cnn(CC(C)C)c2C)CC1 1359037760 WHHSRJDURQJSBI-UHFFFAOYSA-N 432.576 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1359074084 PZLXHPXFMJRKQB-OAQYLSRUSA-N 444.557 2.435 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1359083646 OFIOAJOFQRCYQT-OAHLLOKOSA-N 426.359 2.385 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H]1CC 1359091018 IMEODUMCSKMYRC-ILOCAZANSA-N 425.599 2.494 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(F)cc1)C1CC1 1359303246 ILLRDWHEGDGJMJ-UHFFFAOYSA-N 426.496 2.011 30 10 IEEE C#CCN(CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1)C(=O)OC(C)(C)C 1443162878 QFIDLOMDUORKDR-UHFFFAOYSA-N 439.310 2.111 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1454458614 YGDQQHHJBBJREC-UHFFFAOYSA-N 436.331 2.300 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1 1455116305 XNWBIVHLYVTFMI-FQEVSTJZSA-N 447.557 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1469741740 AMELLXRIYGUKHY-UHFFFAOYSA-N 436.534 2.280 30 10 IEEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1470463429 UIFBPAGIEZWONC-HXUWFJFHSA-N 430.530 2.120 30 10 IEEE N#C[C@]12CN(C(=O)NCc3ccc(COc4cccc(F)c4)cc3)C[C@H]1CS(=O)(=O)C2 1470625760 XPTJIGFULOEIGC-PGRDOPGGSA-N 443.500 2.484 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)C1 1471082525 JRYLGETZEIXEQR-YADARESESA-N 449.511 2.026 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1472142911 JKSQQKQJDHSBLO-UHFFFAOYSA-N 428.333 2.319 30 10 IEEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c([N+](=O)[O-])s1 1472652338 JPWWCHSZKZXRJU-UHFFFAOYSA-N 432.405 2.456 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N(C)C[C@H](O)c3cccc(C#N)c3)c(Cl)cc21 1475467639 QGHOJCSIHJSMTM-IBGZPJMESA-N 433.917 2.475 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@H]1C 1494672865 AIJNFUQSNWCNBI-GJZGRUSLSA-N 434.591 2.086 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1501799048 JMUNFNDNYODJJA-GOSISDBHSA-N 446.563 2.059 30 10 IEEE CN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503499493 MKWQWFOXTBJNJG-MEUCICPISA-N 442.545 2.396 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CCO1 1504723598 XWBJCFLZHDUVEA-CTNGQTDRSA-N 441.532 2.112 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1504886321 CLUFAVYEOIBEOP-IDVKNYFZSA-N 435.569 2.103 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nnc2n1CCCCC2 1504965988 QLGCBMXYBIBPFE-HRAATJIYSA-N 446.531 2.005 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1505314462 DPAYYFAMEDSKFA-VGOFRKELSA-N 444.486 2.112 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507694762 RKVHQIHQUXQIET-PMACEKPBSA-N 427.597 2.487 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2csc(COC)n2)CC1 1507718648 SWHNHIWICIYVHT-UHFFFAOYSA-N 438.557 2.360 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1507733041 NKSPFHBPYXWJAF-FGZHOGPDSA-N 438.576 2.196 30 10 IEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1507918510 HMZSVXJQUPSHEX-KRWDZBQOSA-N 444.605 2.393 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507921466 VPWFFPVNGVVFFT-RBUKOAKNSA-N 430.597 2.475 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1509943652 FEVWCRCUJDUFJN-GDBMZVCRSA-N 431.518 2.379 30 10 IEEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1515366137 AAXJIDRAQAIWQD-UHFFFAOYSA-N 433.516 2.465 30 10 IEEE COCCOc1ncccc1Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1C(C)(C)C 1519353835 GWTPQRSYXBJLFC-LJQANCHMSA-N 439.564 2.221 30 10 IEEE COCCOc1ncccc1Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1519357727 WHXHUKGRHICHRK-IBGZPJMESA-N 426.521 2.208 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1519382536 LSGUJMXKGOGBNW-FPOVZHCZSA-N 441.532 2.112 30 10 IEEE CCc1ccc([C@@H](C#N)N(C)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1 1534662019 CMZFKQDZUFAMNV-HXUWFJFHSA-N 444.557 2.164 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1537352502 FHECXFFCOYMFTM-QFIPXVFZSA-N 432.521 2.351 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539134199 RKQPVONDKNCETH-IBGZPJMESA-N 426.542 2.206 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1Cc1cccc(N2CCOCC2)n1 1539251603 KFVUFEYECJVNPS-UHFFFAOYSA-N 442.523 2.306 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1539333396 CIVURORVUCIWJK-ZJSXRUAMSA-N 436.560 2.331 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(C)cc2)CC1 1539428497 SDWOUIZLRTYJTJ-UHFFFAOYSA-N 429.528 2.232 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539603055 IRHAYBSEHLGYPC-ZDUSSCGKSA-N 439.339 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1539624313 SAYONUPIMBZFNO-IRLDBZIGSA-N 438.576 2.184 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1540021604 WLZUDMLUYDWNIL-GFCCVEGCSA-N 438.381 2.380 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540039640 DLJXZHHRCMVLEG-HUUCEWRRSA-N 431.459 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1540867443 WLKBAHYFEAPHEJ-UHFFFAOYSA-N 426.565 2.042 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)Cc1ccco1 1540869566 QDRXCYQDAUHOLS-LJQANCHMSA-N 434.500 2.331 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 1540909841 QMXPIXCUJAWCOR-HUUCEWRRSA-N 425.580 2.394 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)CCO1 1541073918 FPPLHMLLKHMXPF-IBGZPJMESA-N 428.562 2.300 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1541513664 AZCNQAPFNHRQOA-IBGZPJMESA-N 432.569 2.187 30 10 IEEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1546163135 GXZJKJADFXFBHL-MRXNPFEDSA-N 431.562 2.186 30 10 IEEE C=CC[C@@H](CO)CNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1546310349 FFYQKNGUWFTATD-QGZVFWFLSA-N 436.508 2.283 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1552919833 GEKNSPYBVBJCEY-RBUKOAKNSA-N 429.546 2.399 30 10 IEEE COCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555472185 RGRJQKCVXDPFJE-IEBWSBKVSA-N 440.552 2.323 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 1557267204 NVYIUKQHWGCABI-ROUUACIJSA-N 447.557 2.164 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)C1 1560140370 OIHNQJXOYXKYNG-OAQYLSRUSA-N 435.546 2.044 30 10 IEEE O=C(NC1CN(c2ccncn2)C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1565244392 GFWLELJYOAGMBW-UWVGGRQHSA-N 445.314 2.478 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1585738263 JQYDUVYXWHKPIW-IBGZPJMESA-N 444.532 2.362 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCCOC)C1 1587822702 ATWSSHDIMZIRPT-GOSISDBHSA-N 432.546 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(C(=O)N(C)C)CCCC1 1588245390 BTAKCPPAWUXLGA-UHFFFAOYSA-N 435.576 2.251 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1588279781 BIIRMDADTAEQSF-FQEVSTJZSA-N 448.365 2.242 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NC)c1 1588445867 TYHPOXREAQZWSH-UHFFFAOYSA-N 436.541 2.137 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCCO2)CC1 1588899524 RESJQDZFGIRMTO-NRFANRHFSA-N 437.544 2.489 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1589581985 XRNDWPQZRRBHIR-RTBURBONSA-N 446.596 2.131 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C(=O)NC 1594992144 BBOYLASZZOYFKI-UHFFFAOYSA-N 439.608 2.037 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(C)(C)C)CC1 1595811880 FKOZWISDFFBCDZ-UHFFFAOYSA-N 437.635 2.452 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@]3(CO)c3ccccc3)C2=O)cc1 1607673992 LNEIAPPBFWRPLR-GBXCKJPGSA-N 432.480 2.273 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1610269800 FZIVWIDCFDNBNA-HZPDHXFCSA-N 448.618 2.475 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1610312703 BNSDPBOGGKCXPA-OAQYLSRUSA-N 448.568 2.223 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CC(=O)N(C)C)n1 1612209350 DPZFFFLTPWKRKG-UHFFFAOYSA-N 448.506 2.074 30 10 IEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1616044427 FWCARJRDMGNHNS-INIZCTEOSA-N 446.577 2.102 30 10 IEEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1617098828 WPONZQSXJPWDDZ-OAQYLSRUSA-N 429.546 2.258 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)ccc1F 1618070510 OFDJCDYVQVGLBZ-UHFFFAOYSA-N 431.489 2.383 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)(C)C)C[C@H]1O 1618884633 IWMLQOLBLXEDIW-QRVBRYPASA-N 441.532 2.238 30 10 IEEE COCC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1619767291 BTGVBUVFUCVPCS-YWMUFLPLSA-N 433.484 2.073 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)n1 1619795397 ZSLBBICJBKSOHL-QGZVFWFLSA-N 437.504 2.452 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC(F)F)CCO1 1620354937 DUOHKUZBZCDYIN-MRXNPFEDSA-N 427.415 2.156 30 10 IEEE CNc1cc(I)ccc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1623197474 QDPSUHYHDHCJEJ-UHFFFAOYSA-N 438.273 2.215 30 10 IEEE CN(C)C(=O)OC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1625126859 BZPBUQHPYBPRLK-UHFFFAOYSA-N 435.322 2.446 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1631971740 NVMLCGUCLKHOSG-SJLPKXTDSA-N 441.594 2.387 30 10 IEEE N#Cc1cn(CCC(=O)NCCCCN2CCC(Cc3ccccc3)CC2)c(=O)nc1O 1632628378 PCYIJCPMMFYGNU-UHFFFAOYSA-N 437.544 2.062 30 10 IEEE C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1635277147 AURNMRPBBXQMTM-GBGMBEOMSA-N 446.592 2.485 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)cc1 1636909063 QLOQMFMNYLNMFU-UHFFFAOYSA-N 439.468 2.200 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CCN1C1CC1 1637952803 JSQIYOMYFXJTRW-DOTOQJQBSA-N 432.322 2.084 30 10 IEEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1639900811 OEXMJUNQKKTRFK-QLXKLKPCSA-N 435.347 2.412 30 10 IEEE COc1ccc([C@H](CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)NC(C)=O)cc1 1641855665 ROLLAFUXQLRYOL-FQEVSTJZSA-N 439.468 2.167 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)[C@@H]1CCCc2ccccc21 1647738142 ZHTRFTJFDNDNQS-JOCHJYFZSA-N 426.538 2.452 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)c1 1648465606 LRBPQAFOYVPKCE-YTQUADARSA-N 445.338 2.429 30 10 IEEE C#CCCN(CCOC)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1656152896 ZJEANTYOBGJJHU-UHFFFAOYSA-N 430.313 2.200 30 10 IEEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cnn(C)c1I 1663828303 IIKUUVFTNPXTTI-CYBMUJFWSA-N 431.299 2.490 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)C1CCOCC1 1664579749 GVPFGVNVMBILPX-MRXNPFEDSA-N 449.356 2.167 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)C1CCOCC1 1665797872 IPYDLYDTTGBYOX-SFHVURJKSA-N 435.546 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccnc(C#N)c3)C2)CC1 1673980335 GUXPZLSKOQIEOF-MRXNPFEDSA-N 442.520 2.276 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 1683129787 DYRWXGXTUIECAB-MAUKXSAKSA-N 427.501 2.439 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1689930174 LYJNHHRTCDPLNZ-SFTDATJTSA-N 441.601 2.304 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1689948233 TVIKZASJNCVYDD-DEOSSOPVSA-N 439.560 2.273 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1ccco1 1689948764 FPVBPIRFSUIEBP-OAQYLSRUSA-N 442.545 2.117 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1689979988 JZPOOSSIYDUICH-HOCLYGCPSA-N 437.591 2.070 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689980877 YVBHYSVGCFDIHZ-LJQANCHMSA-N 429.546 2.035 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690165980 PPINVLOIVYROTE-QGZVFWFLSA-N 441.557 2.345 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(Cn2ccnn2)CC1 1690226575 DMUAHIYIXXIAJX-UHFFFAOYSA-N 430.314 2.152 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690254270 ZCKFINWGWSTLFI-XJABCFGWSA-N 430.553 2.281 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1690506367 LVEVOAXGZFWWLO-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCC)C1 1690688382 UMOVQRUVRAKYLF-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1695471131 CCSKINFIOKYHRN-HOCLYGCPSA-N 428.562 2.386 30 10 IEEE CN(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696620168 FVLLPGSFNRNGSM-UHFFFAOYSA-N 440.596 2.038 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cc1 1697336890 RQRLULFGJOVYLP-OAHLLOKOSA-N 427.486 2.090 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1697922558 BVJOPWFZVTYOJJ-SBUREZEXSA-N 436.516 2.318 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705522322 AKYCAUAZZZPWSB-KRWDZBQOSA-N 442.568 2.219 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705526097 FADUPAGRSOMDLA-SFHVURJKSA-N 436.560 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1705547656 LPZTYBHTRWYRAQ-IBGZPJMESA-N 440.592 2.305 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CC(OCC)C1 1705618464 IICNZNNBUMSFMW-UHFFFAOYSA-N 443.523 2.125 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1Cc1cnn(CCOC)c1 1705624995 BYVGIWBZLBXDJM-UHFFFAOYSA-N 446.490 2.405 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1705675469 PVAFKKHBRJZNDP-OAQYLSRUSA-N 433.553 2.328 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(=O)OC)CC1 1705678645 KAJZBLYGXDIMOO-SFYKDHMMSA-N 445.564 2.473 30 10 IEEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705724979 CSCARBWSRKKNOD-SFHVURJKSA-N 431.562 2.177 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705789292 FZQVIUXPBAOJML-GOSISDBHSA-N 447.609 2.285 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908885 XLDXFEGMNJNPBY-NXOAAHMSSA-N 430.553 2.340 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)c2ccccc2)C1 1705925460 PPNAAPBURUPDID-UYAOXDASSA-N 445.589 2.098 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1705929284 NGRLYMVXEKGNOQ-NZQKXSOJSA-N 427.549 2.013 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccs2)CCO1 1706047344 ABUJZZVQTUIFSO-IBGZPJMESA-N 436.541 2.462 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1706750953 CHJHWEURQCRFQU-HOIFWPIMSA-N 447.584 2.155 30 10 IEEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707875211 QYNZPHZUNTXQSM-DQRAZIAOSA-N 429.484 2.278 30 10 IEEE CN(C)C(=O)CCCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710978050 BUQGGFPKEKBVKV-UHFFFAOYSA-N 425.537 2.270 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOCC1(C)C 1722285984 ARXPBGRCENSMSK-KRWDZBQOSA-N 425.533 2.285 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722322927 YNYYQWGNMWOPER-UHFFFAOYSA-N 437.504 2.162 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1722362875 WSRMOLRTBQNPRA-LJQANCHMSA-N 439.541 2.095 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722482021 DNSFRCYUQBDRAQ-KBPBESRZSA-N 435.388 2.340 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1722509129 NOKOXAMTWOYOCX-FHWLQOOXSA-N 438.594 2.024 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](F)COC)CC1 1722560930 HRQQAMQKVRKUKL-KRWDZBQOSA-N 437.541 2.336 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1722867761 HVRDFOMIQJJQJA-QFBILLFUSA-N 427.505 2.318 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(=O)NC1CC1 1722938776 SGDKLYFTGGVIPB-UHFFFAOYSA-N 437.548 2.460 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@]2(CCOC2)O1 1726665828 ACPAEESBQQBHLC-VGSWGCGISA-N 443.573 2.317 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727606092 FZJRTSFOLLFGLZ-FCQUAONHSA-N 449.559 2.310 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)OC 1727955074 AZGJSPGSMZJACO-QFBILLFUSA-N 426.521 2.211 30 10 IEEE CCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C#N)CC1 1729160588 BPBDWXKWZONYJK-UHFFFAOYSA-N 434.548 2.375 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCc2ccco2)c(OC)c1 1730049608 OPNAQKZPUNJSQB-HNNXBMFYSA-N 438.488 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)C(C)C)CC1 1740706823 FCFGEMZEFLUMQL-DEOSSOPVSA-N 441.551 2.381 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cc(C)nn2C)CC1 1740707328 YNPDHYRAPLDRBU-UHFFFAOYSA-N 445.571 2.233 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740954540 OGSDZPKLXKYDKB-LJQANCHMSA-N 436.560 2.356 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740959872 GILSMYSLCJSMBG-QGZVFWFLSA-N 426.569 2.064 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1740968117 BSURZHFGXJNXJL-LEWJYISDSA-N 441.532 2.084 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1741123518 FAQHXDDNLCNHRJ-HUUCEWRRSA-N 442.524 2.434 30 10 IEEE CCCO[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1745840028 MIBIRPSGCOCRNB-RWNPKEDZSA-N 428.537 2.467 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1746998634 WGVMPSIPZUNORA-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1747971697 OMBVHGNNMAYKCP-SFHVURJKSA-N 432.475 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N(C)C 1748648158 ZHWRFHWKXQYWJL-INIZCTEOSA-N 426.546 2.151 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1748819971 VWSHJVXLWSEPIN-SFHVURJKSA-N 448.564 2.450 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1748857514 BOYHERMBCCVYLP-LJQANCHMSA-N 442.541 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748880047 LDOPPTKWXLJZCH-IBGZPJMESA-N 446.477 2.456 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NCCC)CC1 1748977370 HJOQSMNKKFCROI-SFHVURJKSA-N 442.539 2.229 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(N)=O)c1 1749071655 MMBXHVHKCOXNGR-XMMPIXPASA-N 430.512 2.168 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1cnn(C)c1 1749225829 KILXXFDGCRWSNK-UHFFFAOYSA-N 427.509 2.359 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749232463 LRNFRUMQSNDPHH-GOSISDBHSA-N 428.512 2.157 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1749574076 YBJPRKCZXFEZRJ-UHFFFAOYSA-N 435.532 2.332 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](OC)C2)cc1 1749683013 GQKUMNRNGYVVTE-LPHOPBHVSA-N 449.577 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ncc(CC)s2)C1 1749718432 VLBGAQVJRKHGCW-MRXNPFEDSA-N 430.578 2.443 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1751092610 YDYVFBVSFQJTMK-HUUCEWRRSA-N 432.506 2.416 30 10 IEEE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1752263237 BAAPPQIJPMGYNR-WIYYLYMNSA-N 434.610 2.042 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CCO1 1752388042 MCGXSXVLFSALLJ-ICSRJNTNSA-N 441.532 2.397 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760115110 ZBHRSTAPMZMZMS-MUQADHOPSA-N 430.553 2.361 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1760118160 ZEDDVTKNNPJTTM-SJORKVTESA-N 445.564 2.426 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760138076 QUEKEHOOAZMVGN-RTBURBONSA-N 449.621 2.116 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760165076 IMWKBMXHDBCXIM-YDHSSHFGSA-N 433.597 2.276 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1-c1ccccc1 1760212625 YZOPFNCGQIDCKG-DEOSSOPVSA-N 445.527 2.022 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1760234104 TYJOELIVUXHITP-DLBZAZTESA-N 432.546 2.116 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1conc1COC 1760240295 MYFIAOHQMQNHBF-UHFFFAOYSA-N 440.479 2.378 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760321401 GFUWGOYFVINWNF-AUSIDOKSSA-N 444.624 2.393 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1760407835 QWFZWEFYSUIDOM-UHFFFAOYSA-N 442.568 2.144 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760411639 PFVIOXHWDYSMNK-CEXWTWQISA-N 430.597 2.379 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCOCC1 1760504103 KWYTUTBMAZOALZ-KRWDZBQOSA-N 429.521 2.033 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC)C1 1760536638 DIDBFNRZJQKOEP-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1760546939 ZMFCGPSJIWJAEO-FCHUYYIVSA-N 440.592 2.402 30 10 IEEE CC(C)NC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1761259762 BYFFZFWJQJNIKT-UHFFFAOYSA-N 434.504 2.249 30 10 IEEE CCN1CCN([C@H](C)Cn2c(C)nnc2N(CCOC)Cc2ccc(C#N)cc2)CC1 1767096594 BQFFNWVGWAUPSO-LJQANCHMSA-N 425.581 2.137 30 10 IEEE CN1C[C@@](C)(Cn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)C1=O 1767508383 OZQPBIOLEWSECM-QHCPKHFHSA-N 439.539 2.391 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CC=CCC2)cc1 1770740490 HJLUMQMQELTTFC-SFHVURJKSA-N 427.530 2.320 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccsc3)n2CCCn2cc(CO)nn2)CC1 1770755478 YRQBOTAWQDEDBZ-UHFFFAOYSA-N 426.550 2.235 30 10 IEEE N#Cc1ccc([C@H](CC(=O)OCCN2CCOCCC2=O)N2Cc3ccccc3C2=O)cc1 1851124730 UZHFVHBGUZARHJ-QFIPXVFZSA-N 447.491 2.438 30 10 IEEE C=CCN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C#N)cn1 1852863328 YWLXMGOHEKYGCD-KRWDZBQOSA-N 432.889 2.353 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CC2=O)cc1 1857218421 YXZGFHCOHDOQQF-SFHVURJKSA-N 431.558 2.483 30 10 IEEE N#Cc1ccc(NC(=O)CCc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2O)cc1 1859134580 NQODAUOBYAILLZ-UHFFFAOYSA-N 433.384 2.181 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861787037 AWXTXZCVCQTLBA-QGZVFWFLSA-N 428.401 2.160 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862565363 VUEDPNFESXZZGI-QFIPXVFZSA-N 448.523 2.366 30 10 IEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865623373 APWAFSXNCZPUTE-QGZVFWFLSA-N 439.472 2.492 30 10 IEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CCC(=O)c3cccs3)cc2C1=O 1870147524 UQPIWZKELCIUKY-UHFFFAOYSA-N 434.437 2.028 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622522 SGGOPDGUOVPLIJ-LJQANCHMSA-N 437.548 2.495 30 10 IEEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873217955 SMQOBVOGFKYEDM-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE CN(C)CC#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1890826017 MXZAYCSASRBWLW-UHFFFAOYSA-N 435.565 2.030 30 10 IEEE C[C@@H](c1cc(C#CCO)cs1)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186571642 WJYNOEJRKGKAGS-HNNXBMFYSA-N 446.550 2.101 30 10 IEEE C[C@@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243685262 QKVVNCPULXMJPO-LBPRGKRZSA-N 425.360 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2247907800 IXOYGPHZKUKGOT-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248397444 KZCYACKBSFCSHK-FQEVSTJZSA-N 437.371 2.458 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255652850 ADKGEUUYKWNNSS-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255819077 VKLVLCFMBUHZPE-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255826179 LZOSGUIWRWKCKZ-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255835915 ZLIZZMKKOXMKON-CQSZACIVSA-N 434.346 2.084 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256596968 BWQWHIKUELUNTQ-OAHLLOKOSA-N 449.382 2.365 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2256624028 UCJLXFGAQXZJCW-UHFFFAOYSA-N 426.322 2.403 30 10 IEEE Cc1nc(NC(=O)CCCONC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256638863 KBCWBIVRVUHHFQ-UHFFFAOYSA-N 436.318 2.259 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256883547 XXRRGFPZRYVHBS-YPMHNXCESA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139291 DOXGLNGAYMFUSJ-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267145091 DMPOETDVUXQVIQ-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267147201 SRHXSNUMDHJRJY-ILXRZTDVSA-N 446.357 2.084 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267147363 UIKVHRMMFNCBRT-CQSZACIVSA-N 448.373 2.109 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267505497 JMBGTLXRNSJKFH-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267505885 OZLXEYPNXHRPET-PKOBYXMFSA-N 438.381 2.217 30 10 IEEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267518102 CWMJZFWQXCAPHF-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267524549 RKCPWPOTOGALBJ-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267569687 ZFXRGDBYVPSCCG-MRXNPFEDSA-N 449.357 2.022 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@@H]12 2267844632 MDJKYZOWXXXWQQ-IPELMVKDSA-N 445.369 2.296 30 10 IEEE CC1(C)OB(c2ccc(CN(Cc3ccccc3)CC3(O)CNC3)c(F)c2)OC1(C)C 2320123066 ZEWAGQDSBWWCCT-UHFFFAOYSA-N 426.341 2.461 30 10 IEEE CC#CCN(C[C@@H](NC)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2353756580 JEEGXBRWGJDWFF-CYBMUJFWSA-N 430.347 2.208 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCCO4)cc2C1=O 9701434 ABNIGRTULPFDFL-UHFFFAOYSA-N 436.420 2.425 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)C2=O 10055673 BRHITFQNHRMUFC-UHFFFAOYSA-N 432.864 2.194 30 10 IEEE N#Cc1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 11242759 NMTVIZCTPJKZSB-UHFFFAOYSA-N 427.482 2.141 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)Nc2nnc(C)s2)n[nH]1)c1ccc2c(c1)OCO2 20834399 ONYQRNDRKZQDIL-UFWORHAWSA-N 432.491 2.260 30 10 IEEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)(C)C)CC1 36211654 XSJUSMJECBJHPL-OAQYLSRUSA-N 443.544 2.491 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@@H]1CN1CCOCC1 217097741 YYPXJIQXSJYVPK-HXUWFJFHSA-N 431.581 2.138 30 10 IEEE C=CCn1c(=C2SC(=S)N(C)C2=O)sc(=C2SC(C)=C(C)N2CC)c1=O 254871227 SVBXELVKEPIHII-UHFFFAOYSA-N 425.626 2.080 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)cc2)nc1 440892104 SZOVKMFMWSHFJZ-UHFFFAOYSA-N 426.498 2.432 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cc(OC)cc(C)n2)c1=O 446121143 IMLAQEJGZAWNAV-UHFFFAOYSA-N 435.480 2.333 30 10 IEEE Cc1c(C(=O)NCCOc2ccc(C#N)cc2)cc(Br)cc1S(N)(=O)=O 465446208 VKSREIYWGIRBQS-UHFFFAOYSA-N 438.303 2.085 30 10 IEEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1C 468363951 HROSRAFSWCHVEG-UHFFFAOYSA-N 443.529 2.111 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C(C)C)c1=O 478753189 CZJMWGVZJMBIGL-UHFFFAOYSA-N 435.553 2.013 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500969523 JAXOKIIZHOWPMC-UHFFFAOYSA-N 425.510 2.319 30 10 IEEE Cc1cc(C)nc(-n2nc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2C)n1 504157941 NKBWRZJLFNXQAD-LJQANCHMSA-N 429.484 2.385 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506171515 FVDFLIVVNHLLKT-HSZRJFAPSA-N 428.533 2.233 30 10 IEEE COc1cc(OC)c(OC)cc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506789766 WWTBDRGTFSPARF-UHFFFAOYSA-N 431.514 2.091 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2C)nn1 508107233 SRRRRUDBJCDWCE-LJQANCHMSA-N 445.483 2.167 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1 532194701 ZWDQWSWJFGFARR-UHFFFAOYSA-N 435.505 2.217 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C[C@@H]3CO)cc2C1=O 535631607 NUPBLGCDPOLISP-KNQAVFIVSA-N 433.508 2.081 30 10 IEEE C[C@H]1N(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC12CCOCC2 544464225 NFPKKYCMCRQYEO-QGZVFWFLSA-N 431.558 2.377 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 553277145 AZNMIHCXAZCQDQ-UYAOXDASSA-N 430.524 2.198 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 554912940 AKWKNHXONMIOKX-GOSISDBHSA-N 438.484 2.385 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2C[C@H]2CCCO2)cc1 559126213 YWCBLHSXRATXAN-HXUWFJFHSA-N 443.511 2.353 30 10 IEEE COCCO[C@H]1C(=O)N(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[C@H]1c1ccncc1 581812698 HMEXUBSAUDBRRT-FCHUYYIVSA-N 434.496 2.173 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 588156266 RMZAOONKXUXATC-UHFFFAOYSA-N 447.491 2.009 30 10 IEEE N#Cc1ccnc(N2CCN([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)c1 603953833 KWSNSKQZJLQIDM-QGZVFWFLSA-N 429.402 2.426 30 10 IEEE COc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)o2)c1=O 608474332 ZYSMBLKFBAMCHF-UHFFFAOYSA-N 431.473 2.245 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 608827502 GUFHPZKKBPSOHP-UHFFFAOYSA-N 448.935 2.453 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 610078459 MLXRDXIDNDHQRN-LJQANCHMSA-N 444.944 2.323 30 10 IEEE Cc1nc(=NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)n(-c2ccc(C#N)cc2)[nH]1 610233168 RFUZTTFAIBNARA-ZDUSSCGKSA-N 427.461 2.199 30 10 IEEE C[C@@H](OC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(=O)NC(=O)NCC(F)(F)F 729734107 BUKBHQSGILGMOU-SSDOTTSWSA-N 449.279 2.294 30 10 IEEE CO[C@H](C)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138117 JETPEPCKLMLZRX-DYVFJYSZSA-N 442.532 2.389 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(C3CC3)[C@H](C#N)C2)c1 732626511 DNLHVBLYKHZICZ-QGZVFWFLSA-N 435.619 2.395 30 10 IEEE Cn1cnnc1Sc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1Cl 733893648 GDOLFBPVAIAFED-MSUUIHNZSA-N 432.893 2.475 30 10 IEEE C#CCN(C(=O)[C@@H](CCOC)Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 741214115 VHOXIKRVYQHNAX-FUHWJXTLSA-N 442.375 2.293 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)c1 744628122 IXMYFZREJDUXSM-QUCCMNQESA-N 432.542 2.182 30 10 IEEE C[C@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)Nc1cccc(C#N)c1 744894123 DEJZEOYDOOFYAQ-JTQLQIEISA-N 427.360 2.431 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(I)c2)cc1C#N 747495069 NLRAWANCIVNKNL-UHFFFAOYSA-N 435.221 2.426 30 10 IEEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1F 752489325 LVDKIRMYGKKMFV-UHFFFAOYSA-N 445.428 2.252 30 10 IEEE COC(=O)c1cccc(COC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1C#N 756199909 BLDVZNFWEOTATN-CQSZACIVSA-N 430.482 2.442 30 10 IEEE CO[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757487747 WDMMYVMBDBMGKS-NRFANRHFSA-N 436.464 2.134 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763436610 IQNRQXNXRRETFE-UHFFFAOYSA-N 432.549 2.108 30 10 IEEE C#CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 782080945 IJYBWUSQQSFZOY-OAHLLOKOSA-N 443.447 2.182 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 782696173 NVCIRROYCDUFBL-HDICACEKSA-N 447.557 2.212 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)n1 788332608 SJBBQGIHLCYJCV-GOSISDBHSA-N 445.317 2.059 30 10 IEEE Cn1ncc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(CO)c2)n1 789402805 QXDVBFXMGZPTRO-UHFFFAOYSA-O 427.897 2.443 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCSC1 794441006 MUEZUGXMYASXDM-PBHICJAKSA-N 436.603 2.200 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)=NO1 798990669 LZCUJEXPRZANQS-GFCCVEGCSA-N 428.424 2.491 30 10 IEEE CCOCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802614383 ATISMOYBSZAOMT-GHTZIAJQSA-N 438.532 2.394 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCO1 802687274 PJMSONVTVSPQJW-OALUTQOASA-N 438.532 2.221 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cnn(C)n2)C1=O 807929392 VMKUGQPETPDSAS-ZDUSSCGKSA-N 427.317 2.390 30 10 IEEE C=CCN(C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 1125884135 OWTDBSAIDLLITB-IFMALSPDSA-N 438.549 2.455 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](OC(C)C)C3)nnc12 1161505721 NESUOJWIQZCKPM-OAHLLOKOSA-N 427.530 2.348 30 10 IEEE N#Cc1ccc(NC(=O)CCN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1194322879 FAAPXCPMTKVRDX-MJGOQNOKSA-N 438.450 2.435 30 10 IEEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C[C@@H]12 1196198775 RUZPOHKDADZLHN-ZCNNSNEGSA-N 448.589 2.164 30 10 IEEE C[C@]1(c2cccc(NC(=O)COc3cccc(Br)c3C#N)c2)NC(=O)NC1=O 1264676722 GOYXRZIUFZZRGO-LJQANCHMSA-N 443.257 2.393 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1286369326 LQBJMKKLKSRJNR-UHFFFAOYSA-N 430.516 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](F)COC 1286409736 SVONVOLCSULJLA-QGZVFWFLSA-N 436.491 2.122 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CN(C2CC2)C1=O 1286467225 RQYADYGAURYPSH-QHCPKHFHSA-N 443.498 2.244 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1286537573 GIZILCLRLGUHDL-HNNXBMFYSA-N 426.359 2.385 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1286599128 LJGPBNNRFNSITC-QHCPKHFHSA-N 425.533 2.469 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286618736 GMPDUAUFLPDZPW-ZBFHGGJFSA-N 449.342 2.329 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286670999 QOPIVQPOFSHSQJ-UHFFFAOYSA-N 440.596 2.025 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cncn2)C1 1286714161 MMBGVLFOFBIOAN-IBGZPJMESA-N 425.541 2.165 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286790354 MZKZRHYYNZUTCW-YADARESESA-N 439.560 2.140 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)nn1 1289349751 RBKPCIRNLMMQKQ-IBGZPJMESA-N 440.504 2.278 30 10 IEEE C[C@@H](CC#N)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1289807234 ACXDWALXSCQWLL-LBPRGKRZSA-N 428.898 2.409 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCC#Cc2ccccc2)cc1 1290475992 RSXZOTKYHILCAY-IFMALSPDSA-N 426.538 2.102 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1[C@@H](O)c1ccccn1 1297424610 BGSNNFXMXSQTSY-OAQYLSRUSA-N 436.493 2.231 30 10 IEEE COC[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 1298057904 HNYXMYNUXOBSOL-HNNXBMFYSA-N 435.933 2.315 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1298559396 FIKJOEVEVFOFQY-LJQANCHMSA-N 441.532 2.133 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1300422681 WCIQVCQINGQRRW-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1300457438 DDKNSYYMGFQCIG-VVESCEMWSA-N 447.580 2.392 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300487384 IRPOQPBUYQGTHF-ZBFHGGJFSA-N 444.586 2.469 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCNC(C)=O 1300511419 IXNQIZCVPDTPRU-UHFFFAOYSA-N 432.297 2.446 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1nnc2n1CCCCC2 1300673462 LCIPHZSTOVVOCR-UHFFFAOYSA-N 425.562 2.383 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1300700464 QIPQOESXHAYRTL-OALUTQOASA-N 428.606 2.292 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1300718705 VABJFAGHZGOBIL-XMMPIXPASA-N 434.544 2.190 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC1 1300719760 PBXKTBWJZOUWNL-DEOSSOPVSA-N 436.560 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC)[C@@H](C)CC)CC1 1300719825 RMYKDFAZZOXTDC-FXAWDEMLSA-N 426.565 2.311 30 10 IEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300996985 LOYOMVDMGAGXMR-UHFFFAOYSA-N 444.561 2.044 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1301298084 YHTDUHZDYQOINP-IERDGZPVSA-N 437.541 2.014 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301491657 MVRRDZRKMNQSHN-QFIPXVFZSA-N 429.496 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC(F)(F)CO2)C1 1301543883 QIXGYFXCBFPXNB-JTDSTZFVSA-N 428.480 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](OC)C1 1301568801 KGRWVMICRHXCTC-JKSUJKDBSA-N 438.525 2.383 30 10 IEEE COC(=O)C1CC2(C1)CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]2C(=O)OC(C)(C)C 1308064950 KNAJZQIKYKFPII-IHVLLBHBSA-N 435.565 2.272 30 10 IEEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3c(C)cc(C#N)cc3C)cc2)CC1 1309401093 NRTYPBVFALTKBN-UHFFFAOYSA-N 440.569 2.463 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)cc2c1OCC2 1309654775 OXPKILYBGWMITA-UHFFFAOYSA-N 430.320 2.350 30 10 IEEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C(F)(F)F 1315174333 SKUWOWMELAEMDJ-HNNXBMFYSA-N 443.451 2.019 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1COCCO1 1316100878 CABWMDGDEKZVSY-GOSISDBHSA-N 438.488 2.382 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CC1 1316145389 VBIFPGJOVJMVFU-UHFFFAOYSA-N 434.500 2.437 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCSCCCO)cc1 1316534062 NFIGTQCCWDQZOJ-HXUWFJFHSA-N 430.509 2.286 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 1337965818 BRFMHORJSMGATC-UHFFFAOYSA-N 441.918 2.461 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1358962600 SMXQXEOVZPSMNE-KRWDZBQOSA-N 433.603 2.417 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358974361 AVMUMJABNPQBGQ-LEWJYISDSA-N 437.569 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ncn(C)n1 1358989874 SHKXGJUCAWOFJQ-UHFFFAOYSA-N 433.516 2.382 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CCN1CCOC(C)(C)C1 1359013894 PFPMQBMHVXPGGC-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CSCCS1 1359019296 QADHVADUBOXURW-XLIONFOSSA-N 440.635 2.253 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCN(C)C1 1359020677 MGCDAAGWUUUSSJ-DEOSSOPVSA-N 425.577 2.395 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1359055408 CXIDKZMSHWRYQH-MSOLQXFVSA-N 447.511 2.452 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2F)CC1 1359173779 OARSYAAJXFAMHP-AWEZNQCLSA-N 437.541 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc2c(c1)OCO2 1359330572 WTUTXINRXXCCJZ-UHFFFAOYSA-N 429.502 2.239 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1359335172 CKUNYOVRMDXTIL-INIZCTEOSA-N 447.586 2.271 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1359476530 GPCFSDJSQVBBTB-CYBMUJFWSA-N 432.326 2.202 30 10 IEEE N#Cc1n[nH]cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1438020620 DWCZSRXVPZDPPL-UHFFFAOYSA-N 427.408 2.340 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)c1 1446951232 AVQDUDBSZGRKDC-SFHVURJKSA-N 447.532 2.378 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2[N+](=O)[O-])C1 1462990675 SZDOCQBURLTSRO-KJOVKWNASA-N 446.529 2.087 30 10 IEEE Cn1ccnc1[C@@H](O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1466252653 SEGLRFQHWIJWBI-FQEVSTJZSA-N 430.549 2.343 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 1467585566 NRFMRTDJJPKBOA-FQEVSTJZSA-N 431.533 2.055 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cnc(Br)cn3)CC2=O)cc1Cl 1467986993 OWYFXKUDQDGRPH-LLVKDONJSA-N 434.681 2.433 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 1469107732 NVFVPZJQZKHTGO-IEBWSBKVSA-N 447.557 2.476 30 10 IEEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cc2n(n1)CCCC2 1469622825 OKRBUTZPYIDKSV-INIZCTEOSA-N 441.557 2.369 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1472441333 AEKVPAHRYPQPSU-QGZVFWFLSA-N 447.557 2.118 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CCCCOc2cccc(C(F)(F)F)c2)c1=O 1472955135 UZEPNHQOCVSLNM-UHFFFAOYSA-N 425.407 2.422 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1499987803 BVALHPVLASHVKT-HUUCEWRRSA-N 429.525 2.297 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1500001265 NBVAEHQQWPJFJF-NEWSRXKRSA-N 432.569 2.294 30 10 IEEE CCN(CC)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501965291 UPIFPUOPCOZRBI-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)CCOC1 1502679826 GEENMNNYJWRJHD-YUXAGFNASA-N 434.560 2.493 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1 1503449529 UIWVJNFINJWMRZ-LJQANCHMSA-N 428.537 2.437 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCCC1 1503624948 IYZWNDKQHGOBQN-UHFFFAOYSA-N 444.561 2.215 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1507631399 DERGWAXFTFWGSX-WOJBJXKFSA-N 428.558 2.019 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1507669894 UZCSJKLSLRDWFH-VQTJNVASSA-N 445.633 2.154 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1507784211 HJJUXAAZVQVERG-XJKSGUPXSA-N 433.372 2.094 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507880533 JRGZZPMYLICEFC-INIZCTEOSA-N 433.578 2.320 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1508013936 SZVNURMMUVAHGW-UHFFFAOYSA-N 449.563 2.210 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1508110134 YIMVVIOPLQOUGN-IBGZPJMESA-N 449.559 2.420 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1(=O)=O 1508415619 DNXBOCYSMNECOO-ZBFHGGJFSA-N 431.518 2.237 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCC1 1508421904 DODADNZUMXJYSH-MRXNPFEDSA-N 441.561 2.080 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1508700088 QBSIGAIDLZOWOM-PMERELPUSA-N 432.550 2.293 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)C(C)(C)C 1517861066 BDPSQGPARKJPSE-GOSISDBHSA-N 449.577 2.271 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)n2)cc1 1518329462 DIPBJILYTJDGLW-NRFANRHFSA-N 440.483 2.069 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 1535830665 MJVWGUYFQAWWKA-INIZCTEOSA-N 431.493 2.080 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1539039106 YWNVMGVNDHJTKD-ZACQAIPSSA-N 432.569 2.375 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CCC)OC)c1 1539043347 OZZAWFQZLDIDTE-RTBURBONSA-N 438.532 2.101 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1539094753 UYWJGCHJXRRFOT-HOTGVXAUSA-N 449.581 2.192 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1N1CCOCC1 1539154749 NBAQXNDAKLVNCQ-UHFFFAOYSA-N 433.472 2.203 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1539219193 GZWCHPFPHUIPTO-MRXNPFEDSA-N 438.985 2.044 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCC=C 1539241978 LIAHERWPTVKTDX-UHFFFAOYSA-N 430.281 2.222 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2cc(C)nc21 1539395220 AIDOMTXATQXWLE-GOSISDBHSA-N 448.531 2.094 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CC1 1539462274 RIMLDAKNESQTSI-UHFFFAOYSA-N 447.587 2.216 30 10 IEEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@@H]12 1539464371 CQEDZIFMIWXDCQ-HBMCJLEFSA-N 426.494 2.429 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539674649 ZWGHGRPEHQRGDK-INIZCTEOSA-N 438.623 2.318 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539743865 USBWLKQRJRWNIS-FQEVSTJZSA-N 425.581 2.149 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539783013 KYZNTTJSWWKRPK-OAHLLOKOSA-N 445.867 2.079 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1540857399 UMVPNQLELAQGHK-MRXNPFEDSA-N 429.594 2.491 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540872229 HMANGPYCWLJWSY-KRWDZBQOSA-N 442.539 2.003 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1ccco1 1541800732 GFMKACWSJMZKKF-OAHLLOKOSA-N 436.472 2.478 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccsc2)cs1 1542925626 BRDNRZANXLAWRL-APWZRJJASA-N 430.559 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)NCC3CCN(CC#N)CC3)CCC2)C1 1543478250 GFGVCEVIOSHNAH-HSZRJFAPSA-N 434.581 2.270 30 10 IEEE CN(C)S(=O)(=O)c1ccc(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1544240611 PSZNMQOTYJRXHW-UHFFFAOYSA-N 427.526 2.173 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1545120980 GDYRXFOLPHOXDF-OAHLLOKOSA-N 438.454 2.448 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](O)Cc2cccc(OC)c2)n1 1546212922 CFXLJGLXCKPSBV-OAHLLOKOSA-N 431.543 2.351 30 10 IEEE CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547150655 PZWIIJAKMDBUGZ-UHFFFAOYSA-N 438.513 2.294 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)C1 1554531826 QRDMKNYQHCIGMP-UYAOXDASSA-N 439.516 2.259 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)OCC)C2)ccc1F 1557459450 NXZUEKIHPRSCBI-FQEVSTJZSA-N 442.484 2.188 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)ccc1F 1557917156 NYQJPMSAJNHVTN-OAQYLSRUSA-N 428.489 2.383 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)NC)cc3)n[nH]2)c1C 1565574249 BPLJOHVYZHHLPY-CYBMUJFWSA-N 442.545 2.475 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 1566318183 VILZWUDVELVTCR-UHFFFAOYSA-N 445.273 2.492 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OCC(N)=O)CC1 1587817768 GPBFTGQWIOIFQV-UHFFFAOYSA-N 433.516 2.219 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CC1 1588790779 BSOOEKVRARXPSL-JOCHJYFZSA-N 434.544 2.158 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)CCC(C)C)CC1 1588930399 VEHLSNNCFYAMLJ-YKSBVNFPSA-N 445.608 2.325 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1589069027 HPIRPAVNIKQWKB-RTBURBONSA-N 446.598 2.125 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@H](C)C1 1595297835 YTHKIYGTGDZHNX-KRWDZBQOSA-N 430.553 2.377 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1595720744 BESKGNJNODOOCQ-QUCCMNQESA-N 441.532 2.089 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1 1609942902 HJWHIGUFMAUIJJ-UHFFFAOYSA-N 426.912 2.328 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1610269801 FZIVWIDCFDNBNA-JKSUJKDBSA-N 448.618 2.475 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1618319068 YZXFZLVKNJHWCL-KRWDZBQOSA-N 439.520 2.056 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)ccc1F 1618424416 KWJXVKHGFGJPOY-FQEVSTJZSA-N 441.525 2.419 30 10 IEEE C=CC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1618573363 MYQYYFDYAWBWSD-ROUUACIJSA-N 433.574 2.495 30 10 IEEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1618807644 NEZUJUBNDJAUKL-UHFFFAOYSA-N 435.590 2.256 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1)OC 1619607172 KENDAEXDGLAGJS-MOPGFXCFSA-N 429.521 2.251 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CCN1C1CC1 1620355602 WQQXRAHHGNOIJX-QGZVFWFLSA-N 448.930 2.313 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccncc2)nnc1N1CCC(F)(F)CC1 1620385149 NVOYHRNPDIRUEH-VHEBQXMUSA-N 443.458 2.026 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1623929765 IKGKYSHKADEAII-UHFFFAOYSA-N 434.436 2.048 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)cc1 1626004411 PHRJKRUMEICBPA-JKRPTORDSA-N 434.562 2.475 30 10 IEEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C1CCN(C)CC1 1626637276 HQVRAYBFIJJKLK-RUZDIDTESA-N 432.524 2.163 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)CC1 1630809600 VNYHLKKSPQNZAH-OAQYLSRUSA-N 432.590 2.493 30 10 IEEE C#CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 1634070885 GHCWTZNDOQYUTA-GOSISDBHSA-N 433.350 2.260 30 10 IEEE Cn1cc([C@@H](NC(=O)COc2cccc(Br)c2C#N)C2(CO)CCC2)cn1 1637383451 YNXYHXXEVWRGCZ-GOSISDBHSA-N 433.306 2.453 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 1641828195 KNXNWXMNZMHKEY-HNAYVOBHSA-N 435.509 2.214 30 10 IEEE C#CCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1644788602 ZJQJHCUHTOIBPK-UHFFFAOYSA-N 446.548 2.102 30 10 IEEE N#Cc1ccsc1NC(=O)CN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1645634849 CATITYUZNFSLFH-HIFRSBDPSA-N 430.452 2.106 30 10 IEEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CC1 1652173169 NCWQNLLPFHDAFH-UHFFFAOYSA-N 443.594 2.323 30 10 IEEE CC(C)(C)c1cc2n(n1)CCN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2 1654984552 IPJBPGBSIADJQI-GOSISDBHSA-N 426.590 2.467 30 10 IEEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc21 1661262176 FRFVBRDBCLRPCL-INIZCTEOSA-N 439.541 2.324 30 10 IEEE C#C[C@@H](CCC)NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1674030617 HZHLCVRGEAYYII-LSDHHAIUSA-N 425.270 2.276 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCCc2ccc(I)cc2)CC1 1674731076 VIVVIISIEQLIMS-UHFFFAOYSA-N 441.269 2.322 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1689939739 BGCJTNONDWNPMS-VQTJNVASSA-N 430.597 2.045 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(SC)CCN(C)CC1 1690003331 KQYXJECDDYLFNF-QHCPKHFHSA-N 445.633 2.219 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1690018141 VJVCJAZNPUHAKG-PKTZIBPZSA-N 433.556 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC[S@](=O)C(C)(C)C 1690054454 XZMNPYQJKGHTCU-PMERELPUSA-N 445.614 2.280 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(-n2ccnc2C)nc1 1690105185 WJOLXODSBIXIIO-UHFFFAOYSA-N 442.527 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690247064 ZJGTZJAWVXPORG-MJGOQNOKSA-N 437.610 2.435 30 10 IEEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1690497614 VJIVGQBUCVZWAQ-UHFFFAOYSA-N 425.541 2.067 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1692348628 BNQUVBHINAERRA-GOSISDBHSA-N 430.578 2.465 30 10 IEEE Cc1nc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cs1 1693370061 JZJBLWPQYBJELA-PXNSSMCTSA-N 432.550 2.055 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)OC 1693958123 IDTQQWGLNRYNTM-XERREHJYSA-N 439.499 2.424 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1696732104 GCKXKYSVZVNSBK-UHFFFAOYSA-N 438.488 2.285 30 10 IEEE CO[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697119841 LUVBRCSSQAGWHG-HZPDHXFCSA-N 438.561 2.342 30 10 IEEE COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1OC(F)F 1697448185 YPAVYKKEBPRTMZ-HNNXBMFYSA-N 445.430 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1705495353 OPBUGYDGDFDEAB-TXPKVOOTSA-N 449.552 2.012 30 10 IEEE C#CCCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705522036 SSRJGWZAWBUQPT-OFNKIYASSA-N 426.565 2.299 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705526597 IHUUKYBPYZHTJN-HSZRJFAPSA-N 431.500 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1nnc2n1CCC2 1705586904 AKPZDVYTGODBQU-UHFFFAOYSA-N 433.541 2.238 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705896344 JQTJINTYUGUQLH-XJKSGUPXSA-N 434.422 2.275 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCCCC2)C1 1705916217 ZWHVWFIYKMOUJU-PMACEKPBSA-N 430.597 2.417 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccsc1Br 1722419214 SRBLLGWDXLVFGY-UHFFFAOYSA-N 440.367 2.375 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722528494 HMJFZDJIHXMCRE-LJQANCHMSA-N 449.353 2.487 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722648158 QIZREKLVZRMXOG-IBGZPJMESA-N 438.576 2.292 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1722693436 NUOOUNVODOOKNW-UHFFFAOYSA-N 430.940 2.348 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)C1 1722722245 MQLCVEDRZUPYOL-OPAMFIHVSA-N 429.496 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722730232 MDIOPJCGLOERGQ-GOSISDBHSA-N 449.621 2.107 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCOCC(F)F)cn1 1729573822 YGRCBUQAQPEWPZ-SFHVURJKSA-N 443.458 2.410 30 10 IEEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(CC#N)CC2)C1 1731010307 JYHDSJDMVIXXKS-SFHVURJKSA-N 448.618 2.342 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCSC2)C1 1731179476 CHOHVHQNPYRYJP-HZPDHXFCSA-N 441.330 2.346 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1740571913 WCKPYINWSNILLJ-MRXNPFEDSA-N 433.516 2.489 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1740603952 LGVMCHLPLPZAED-MRXNPFEDSA-N 432.546 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C#N)o1 1740637627 HBFPYPVSMINNGA-UHFFFAOYSA-N 426.484 2.038 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 1740763839 QNMBTXKGRQIEPW-WIYYLYMNSA-N 430.597 2.302 30 10 IEEE C=C(C)Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1740785818 DQFIVSBYAGRNMY-NRFANRHFSA-N 438.594 2.444 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1 1740790418 RWGALEOSKZQAJK-UHFFFAOYSA-N 429.477 2.155 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740890930 MIBSQTRUZMOIHF-ULQDDVLXSA-N 426.631 2.267 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740943819 MOBLWTWAJCXJEY-MRXNPFEDSA-N 446.458 2.499 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1740958246 MCNJMWVJLRQNHH-UHFFFAOYSA-N 428.512 2.322 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1740964425 OVGIXABCBVYJAC-UHFFFAOYSA-N 439.520 2.014 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1741088836 QTHNGYVVZZGOLJ-IBGZPJMESA-N 438.532 2.260 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1741698872 KCSVXMMOJUJGCM-LJQANCHMSA-N 437.548 2.082 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1741984199 HZNFBDMWLAKCRT-QFIPXVFZSA-N 429.488 2.100 30 10 IEEE CCN(CC)CCOCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1746176894 QIVLURBYGABGLM-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1746464728 OHNBCIYDPFGQMC-OFNKIYASSA-N 429.613 2.330 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCN1CCCS1(=O)=O 1747730203 FDGHTPIKRRGXKW-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)F 1748891022 YCVMRLWVQXKETD-UHFFFAOYSA-N 443.502 2.197 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1748925327 HGHNKMJIKMARMZ-GOSISDBHSA-N 433.553 2.268 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCSC2)CC1 1748999526 ZMZPWRRTMRGTHA-HSZRJFAPSA-N 441.601 2.097 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)CCN1CCOC(C)(C)C1 1749040139 OHJPFXRBGNVIEB-UHFFFAOYSA-N 428.606 2.177 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749358724 PNTAWZVTYPCUQG-GOSISDBHSA-N 440.596 2.374 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1749575604 VBIRUHKRFXLPJF-HXUWFJFHSA-N 439.516 2.218 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1749640198 DOUSNYIXMVGQAW-UHFFFAOYSA-N 440.548 2.320 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)OC2CCCC2)CC1 1749883700 CGYNNPZFEINGHW-UHFFFAOYSA-N 437.548 2.291 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750068899 GRJUJHNKOTYOLU-HOTGVXAUSA-N 441.561 2.304 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1750523952 GBSJUQZBUMMMGZ-QWFCFKBJSA-N 444.580 2.328 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1751278358 UTAXJZMVDMXPSY-XJKSGUPXSA-N 435.472 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H]1OC 1760214965 JXWXPCZMNSKNIZ-PZJWPPBQSA-N 430.516 2.199 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cc(Cl)cn1 1760246455 YNHYTAAGRSIFGA-UHFFFAOYSA-N 442.907 2.352 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccnc(OC(F)F)c2)CC1 1760258175 QMSDQSMRZQAUIW-UHFFFAOYSA-N 427.459 2.084 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(CC)CC)N(C)C 1760289245 NHKCNXDSVPTTPX-PLMTUMEDSA-N 438.642 2.247 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760355507 MVTLQSHIOAAJIH-HNNXBMFYSA-N 427.475 2.344 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1760490150 QTQSDZXBQSEECE-HMFYCAOWSA-N 429.544 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CCC)C1 1760553130 LZFJKRSJPGORMU-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760561355 XWXIDXKKUUYHDS-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(C#N)o1 1761871929 AUMHIICDQSJYLD-HNNXBMFYSA-N 434.504 2.125 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCCO 1762070098 WNNGSFCALXPOBF-UHFFFAOYSA-N 447.543 2.246 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1768637332 DCYZMLMCSYFVEN-HXUWFJFHSA-N 436.541 2.326 30 10 IEEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1770573596 XJKLOFOIJBAKJT-QVUWHDNHSA-N 438.598 2.224 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCOCC(F)F)CC2)nc1 1770738907 SBLLJJKGKAIYHU-KRWDZBQOSA-N 447.490 2.047 30 10 IEEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)CC1 1770740453 HDQQYVUFQZIFGF-UHFFFAOYSA-N 430.314 2.457 30 10 IEEE CCOc1ccccc1-n1nnc(C(=O)N2CCN(CCC#N)CC2)c1-c1ccncc1 1848531713 CLBZQWWUOVVWHU-UHFFFAOYSA-N 431.500 2.399 30 10 IEEE C=CCN(C(=O)c1cnn(-c2ccc(-c3nc(C4CC4)no3)cn2)c1C)[C@@H]1CCN(C)C1=O 1850971839 HUGMYGKVSJYCMF-GOSISDBHSA-N 447.499 2.362 30 10 IEEE COc1ccc(-c2cc(CNC(=O)CN3CCN(c4ncccc4C#N)CC3)on2)cc1 1852614682 XSSGHWCWWRAUHH-UHFFFAOYSA-N 432.484 2.055 30 10 IEEE COc1cccc2c1OC[C@@H](C(=O)N1CCN(Cc3ccc(C#N)s3)[C@@H](C)C1=O)C2 1857506143 LQJXNBMSFGESLZ-HOCLYGCPSA-N 425.510 2.439 30 10 IEEE CN(C(=O)CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1C#N 1858018613 FBTDFWYWYLGRCS-UHFFFAOYSA-N 426.498 2.016 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(CCN1CCOCC1)CC2 1858033630 GBJJOZZRYHTNST-UHFFFAOYSA-N 426.542 2.049 30 10 IEEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)cc(OC)c1OC 1860724956 WSWITCKHPBVODL-GQCTYLIASA-N 427.457 2.165 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCNC=O)cc1O 1862420200 FJDYBLDHVOTCSN-IBGZPJMESA-N 446.406 2.393 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1)c1cccc(O)c1 1862590798 QDKSARUZZKDBHS-FQEVSTJZSA-N 426.444 2.442 30 10 IEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2cccc(F)c2)CC1 1866868526 UVQGYJLIJGRMDR-ROUUACIJSA-N 430.505 2.280 30 10 IEEE O=C([C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N(CCO)Cc1ccccc1 1869929830 OABGCRCYIBZPSO-JOCHJYFZSA-N 449.532 2.488 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCCN1CCCC1=O 1870477356 GOXULGPHYVOFEU-UHFFFAOYSA-N 445.560 2.365 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873644714 FRVLPQFYNORFHG-UHFFFAOYSA-N 444.499 2.414 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873672136 CKVQVIMSXBACCC-UHFFFAOYSA-N 444.499 2.448 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874474389 ARPINFUPSMISOF-YDZHTSKRSA-N 441.513 2.169 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccc(OC)n4)CC3)n[nH]2)c1C 1889822751 CVFAXWXSCRFXFM-UHFFFAOYSA-N 436.520 2.227 30 10 IEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 1890389202 PBHYPVWVJLXERR-AWEZNQCLSA-N 425.514 2.371 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1985008223 GCERVPDFEYBPNH-OAGGEKHMSA-N 427.542 2.190 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2009979708 MXPPFWUGRUTKEZ-FDDCHVKYSA-N 429.517 2.139 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2010034422 WFYQQXAKOGBKML-MBSDFSHPSA-N 429.517 2.139 30 10 IEEE CC(C)(C#CC(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023918071 PDLYVVKZJCCSEM-XHSDSOJGSA-N 439.553 2.074 30 10 IEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#N)c(F)c1 2164487804 QETWUFJZAZYNBD-FQEVSTJZSA-N 433.436 2.141 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2174785961 DWUOFTBSABVFLO-INIZCTEOSA-N 433.461 2.013 30 10 IEEE CN1C[C@H](C(=O)Nc2cc(Br)ccc2C#N)N(C(=O)OC(C)(C)C)CC1=O 2181149098 ZVGACVUHSUEENW-CQSZACIVSA-N 437.294 2.337 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224103834 XURPRECJGGLFDG-DOTOQJQBSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2224120755 MZTGMRQMPHGPNC-PVAVHDDUSA-N 432.326 2.394 30 10 IEEE Cc1cnc(O[C@@H]2CN(C)C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224123885 JYJYSEHDDMEYEV-IAGOWNOFSA-N 433.358 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247835040 FMVVAGLHVJYWJY-UHFFFAOYSA-N 441.334 2.131 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255603442 DQNWKNDSTHOTIX-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2255632015 HHQWZGBJMRIZSR-ZDUSSCGKSA-N 434.346 2.227 30 10 IEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC(=O)NCc1ccccc1 2255823965 YZDIJVWQDNDUJX-UHFFFAOYSA-N 425.338 2.414 30 10 IEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255827564 YZCHPFODYHFCHF-CQSZACIVSA-N 436.362 2.378 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130923 UWZAAGJCMINASF-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267140758 FJFKGFQEURBGNA-HUUCEWRRSA-N 448.373 2.332 30 10 IEEE Cc1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267219154 BQMSYILFWCDTEJ-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2267523487 CFLUUQJWYAKXNY-SHTZXODSSA-N 448.373 2.061 30 10 IEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267549908 RKYFQNOLNTTYCT-INIZCTEOSA-N 446.357 2.247 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267873064 NJOVYDDKLQRPAN-CABCVRRESA-N 446.357 2.294 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267873375 OYKZBTHUSMNGJH-OALUTQOASA-N 434.349 2.122 30 10 IEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268644699 MXMVTEFTBPAEMA-MPGHIAIKSA-N 448.369 2.437 30 10 IEEE CC1(C)OB(c2occc2C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269050886 VSLGZYBDQDSHMZ-QHCPKHFHSA-N 440.305 2.038 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCOC1 2272569530 QEAWGMWDLOGTGZ-OAHLLOKOSA-N 447.341 2.345 30 10 IEEE O=C(O)c1cc(Br)cc(S(=O)(=O)NCCC#CBr)c1F 2287027299 UFEGWMHMJTVJHB-UHFFFAOYSA-N 429.061 2.311 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 2296938362 BQDMFRTUBXPGJS-LJQANCHMSA-N 442.424 2.034 30 10 IEEE COC(=O)c1ccccc1N=C1NC(=O)C(=C2C(=O)N(CC(=O)O)c3ccccc32)S1 2314557432 FVNKNPWBAXZPFI-UHFFFAOYSA-N 437.433 2.166 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315612507 ZJJBDZJHQPOMAG-SFHVURJKSA-N 427.354 2.379 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c(O)c2)CC1=O 2327895166 SSAQFLXXBPQKLN-CQSZACIVSA-N 433.534 2.160 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2327904367 FKOBXDUYXCUCKT-AWEZNQCLSA-N 432.506 2.267 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccc(O)c1 2330778123 FNQBCCUJHFDJGX-UHFFFAOYSA-N 449.496 2.443 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2352398645 VVGDCIIZSVIRBC-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3cccnc3)c(OCC)c2)CC1 106271867 NKPJDHMSWGWIGL-UHFFFAOYSA-N 438.528 2.119 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCCC(=O)N(C)C)[nH]1 253561140 BTCFOARNCPRVCQ-FYJGNVAPSA-N 441.565 2.381 30 10 IEEE CC(=O)N[C@@H](CS)C(=O)Nc1ccc(I)cc1Br 305936469 DCZFJDDTUDOCLW-JTQLQIEISA-N 443.104 2.427 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2CCC(F)(F)CC2)CC1 410084637 GCVPTOQIBXHVIK-UHFFFAOYSA-N 426.489 2.400 30 10 IEEE CCOC(=O)[C@](C)(NCCC(=O)Nc1sccc1C#N)c1ccc(S(C)(=O)=O)cc1 430278171 PDIVQZZIMKRCSY-HXUWFJFHSA-N 449.554 2.420 30 10 IEEE CCc1nc(C2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)n[nH]1 484725585 HDJTYHNSAGPFJO-HXUWFJFHSA-N 439.539 2.095 30 10 IEEE CNC(=O)CCOC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 494928130 CRWJHVOAYIRVDX-UHFFFAOYSA-N 441.532 2.174 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c(OC)c1 497602501 GUROUCQUWYKRQB-MAUKXSAKSA-N 432.542 2.262 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N(CC(=O)N3CCCC3)C[C@@H]3CCCO3)C2)c(F)c1 502550295 AVJFNAAUDLEDSV-OALUTQOASA-N 428.508 2.154 30 10 IEEE N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)C1CC1 505976630 MYBKKTAVOKUPHW-JOCHJYFZSA-N 438.553 2.225 30 10 IEEE COc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518027364 FJBWODUKAYWPBG-UXHICEINSA-N 425.510 2.203 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)cc2C1=O 525468241 PSOUGFFLSALJRA-VGSWGCGISA-N 433.508 2.488 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1 536489154 QTSCOHJUTDUHSA-QGZVFWFLSA-N 439.331 2.377 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 558957540 GFIBXXCKOFIINQ-NRFANRHFSA-N 432.528 2.019 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 564474990 ZDLYOJVUVQHRCD-OAHLLOKOSA-N 434.522 2.195 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C 578177336 MRYMROUNWJMVLU-VQIMIIECSA-N 427.505 2.054 30 10 IEEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)NCCc1cccc(Cl)c1 585673762 RJGBWPZKFIHYRD-OLQQUCHKSA-N 426.860 2.072 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)OC)c1 609266013 AAYNZCOAAOKWDR-KRWDZBQOSA-N 434.489 2.052 30 10 IEEE COC(=O)CCCOc1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 609635076 QREOKYBGSNKIMA-UHFFFAOYSA-N 437.500 2.317 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)nc3cc(Br)ccc23)CC1 614545017 HJRPCRGUTWKTOQ-UHFFFAOYSA-N 431.334 2.366 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc3c2OCO3)c1=O 614892752 UBROPCGNFSNHLH-UHFFFAOYSA-N 446.484 2.219 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccncc2)c1=O 654871635 UGOGVPXBVPOWGR-UHFFFAOYSA-N 449.532 2.126 30 10 IEEE CS(=O)(=O)c1ccc(F)c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 731578399 HTBLGHMYVLFTIY-KRWDZBQOSA-N 433.486 2.255 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CCC)c2=O)cn1 735069020 KOALTTCTSMVLEJ-UHFFFAOYSA-N 436.537 2.321 30 10 IEEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 767682067 UJTOCJCIGINBNS-QGZVFWFLSA-N 434.558 2.154 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)c(C)o1 767956797 YGFPNOVOGXERTH-UHFFFAOYSA-N 437.496 2.373 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768527463 JQCNPJIOSNFJKP-UHFFFAOYSA-N 425.558 2.350 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCN1C1CC1 777945702 PTUPAWGVQQTNQJ-WMLDXEAASA-N 425.938 2.116 30 10 IEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)c1 782692427 KNFPVAXMXZZKIC-UHFFFAOYSA-N 447.426 2.034 30 10 IEEE COC(=O)N1CCN(c2ccncc2NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 791107569 CRPPENKXQGRPHR-UHFFFAOYSA-N 435.893 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 794028267 GJMCWQNUEXEMHF-QBEKEKFNSA-N 446.548 2.399 30 10 IEEE C[C@H](CC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 794216723 QBWYWFFTHWDNQV-UIAACRFSSA-N 449.536 2.362 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCN(C4CC4)[C@H](C#N)C3)C2=O)cc1 794852743 KIANDSVGXHUEIZ-MOPGFXCFSA-N 439.516 2.338 30 10 IEEE Cn1cc(C#N)cc1C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 800914913 BIPPHGKFUSTKPC-HNNXBMFYSA-N 429.443 2.110 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCO2)cc1 802690375 ZYUDTKXPNGFTSW-NQIIRXRSSA-N 438.532 2.221 30 10 IEEE Cc1sc2ncn(N=Cc3ccc(S(N)(=O)=O)c(Br)c3)c(=O)c2c1C 807948224 BAVXAVYSDHQWGU-UHFFFAOYSA-N 441.332 2.367 30 10 IEEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C)[C@@H]1CCS(=O)(=O)C1 809840847 SSLORCMEEPCRAZ-CYBMUJFWSA-N 429.329 2.328 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812428853 BDKLBLYICMTMGP-AEFFLSMTSA-N 440.525 2.355 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)cc1 1084525817 OFABXXBXDOCQDX-UHFFFAOYSA-N 428.474 2.079 30 10 IEEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)NCc1ccccc1 1084549596 IAYDJQMHUVGHEG-UHFFFAOYSA-N 431.909 2.205 30 10 IEEE CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1149444737 SAZARLCFEWZTTD-MJGOQNOKSA-N 441.532 2.313 30 10 IEEE CCOCn1nc(C)c(C[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 1156591248 CCNHDHLEDQRWQJ-OPAMFIHVSA-N 437.544 2.462 30 10 IEEE CN(CCN(C)C(=O)[C@@H](C#N)CCc1ccccc1)CCN1C(=O)c2ccccc2C1=O 1160334373 PIKSDANJGXBCFD-HXUWFJFHSA-N 432.524 2.445 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C#N)C3)cc2)C1 1194629082 IFWJUFMHTBFFIY-ZACQAIPSSA-N 425.576 2.277 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCc2c(CC#N)cccc2C1 1196624038 XTLQPLLRIZBKCS-MRXNPFEDSA-N 426.542 2.388 30 10 IEEE Cn1cc(N2C[C@H](C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)CCC2=O)cn1 1271847409 HNTBXBZAVOGUII-MRXNPFEDSA-N 425.464 2.244 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1286334120 DJHATHOAOZHIMU-KNQAVFIVSA-N 428.537 2.045 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2nnc(C)s2)n1 1286468940 AHVWKYILUNBTDX-UHFFFAOYSA-N 428.566 2.267 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(OC)CCCC2)CC1 1286472825 LTAZGCDFWZKWTR-HSZRJFAPSA-N 431.581 2.033 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286484128 IQOFEJITGPLRPJ-GOSISDBHSA-N 434.585 2.119 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286509740 XGMHJIZXQMLTOU-UHFFFAOYSA-N 427.640 2.093 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286618733 GMPDUAUFLPDZPW-GOEBONIOSA-N 449.342 2.329 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1287216719 HRVVLRWPZUNDLB-ZHRRBRCNSA-N 428.512 2.279 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2([S@@](C)=O)CC2)CCOC1 1288313248 RTSQIVQDVHFTEA-BMLPGLOISA-N 435.594 2.360 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 1293239705 BXZBFUPVOIUINQ-ZDUSSCGKSA-N 445.239 2.036 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300348694 OZVTZOKBPUSNBI-LJQANCHMSA-N 447.547 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCC 1300561357 OLBKEVLOHGKWBL-QFIPXVFZSA-N 428.558 2.363 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)NC(C)(C)C)CC1 1300708595 VXPFUCKNAVSWBN-UHFFFAOYSA-N 438.576 2.226 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300767639 CKJBVFHLVHLWRE-QUCCMNQESA-N 439.585 2.228 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300879105 ABKMCMUHUGNNFC-YLJYHZDGSA-N 439.564 2.457 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301000814 YUUOWLAMHHHVDF-QGZVFWFLSA-N 429.496 2.400 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1301424626 NFCXGSLRPRSYAM-LJQANCHMSA-N 447.605 2.242 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1301986085 CPDTWAOBGVUZMH-GPMSIDNRSA-N 429.546 2.420 30 10 IEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC[C@](C#N)(c4ccccn4)C3)CC2)C1 1307987449 GEOAIKNXRSMCMU-CJFMBICVSA-N 437.588 2.436 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC=CCO1 1314226819 WWVCLPQPMRHDCZ-MSOLQXFVSA-N 425.489 2.330 30 10 IEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNC(=O)C(C)C)cn1 1315488239 HDQWXRVUPZRSEB-UHFFFAOYSA-N 433.516 2.477 30 10 IEEE COCCN(CCC#N)c1nnc(C2CCC2)n1C[C@]1(N2CCOCC2)CCSC1 1316100881 CAJVPKXZNCWROK-OAQYLSRUSA-N 434.610 2.120 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358960720 KIQCGNURTRJWFK-RBUKOAKNSA-N 444.605 2.020 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC(C)C)N(C)C)CC1 1359037507 LYOVAWCFUVRJEG-HXUWFJFHSA-N 429.638 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359330842 FDHLHPHURUMOCT-OAQYLSRUSA-N 445.520 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359332774 GXCAZAFOUDZHPH-UZLBHIALSA-N 426.583 2.024 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1359511396 QAKCCTXTKAYZQH-PADNRFCRSA-N 428.537 2.250 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1360017437 FRANXUWNCFZMFY-JOCHJYFZSA-N 426.590 2.463 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C#N)o1 1360210282 NTVPWIQHLRFEBY-AWEZNQCLSA-N 443.508 2.033 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C2=O 1452944321 ANQZKQSQVAZSOV-YLEKAMJDSA-N 426.517 2.187 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 1454924585 HTWXSBJRJQJCJH-UHFFFAOYSA-N 434.543 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1456342529 CYRMNAPKZUQTPR-AOMKIAJQSA-N 432.496 2.012 30 10 IEEE C#CCN1CCN(C(=O)CN2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)CC1 1460735909 ZQKIFBLGDAGOLF-LJQANCHMSA-N 426.561 2.282 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)c1ncc(I)cn1 1461295695 XTPDMPFHIQWWNN-UHFFFAOYSA-N 437.241 2.266 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)c(Br)c2)C1=O 1462339439 IUMJSQRUHQWXGR-UHFFFAOYSA-N 445.067 2.127 30 10 IEEE C#Cc1ccc(C(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1 1464369398 SDTMZSWIXZULKR-UHFFFAOYSA-N 432.480 2.244 30 10 IEEE C#CCN(C(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1466926279 ZCWCUHYMUZIGDN-HNNXBMFYSA-N 441.435 2.453 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C1 1469543117 ABSDQECGDNAJII-SFHVURJKSA-N 428.514 2.287 30 10 IEEE Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1471983568 DRAMKDHOGSSPKY-GOSISDBHSA-N 439.541 2.419 30 10 IEEE CN(OC1CCCC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503643917 NHDJKSQJSWMGKJ-MRCUWXFGSA-N 437.504 2.101 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)C1 1503677198 FQRPNRWGSYVZRF-AUUYWEPGSA-N 437.331 2.047 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1504888325 OCMHYDXBULEAIS-IAGOWNOFSA-N 444.502 2.423 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507555132 HPRGQHGYKRCSAO-MRXNPFEDSA-N 441.532 2.441 30 10 IEEE C#CCCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507599237 MFQRZKIERTXOOW-YESZJQIVSA-N 431.537 2.462 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1507606333 IRPSYQMIMYVUAZ-UHFFFAOYSA-N 445.570 2.372 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1507660308 QGNZWBDZKGYGPU-FDDCHVKYSA-N 425.508 2.087 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1507662822 OXFCEAKRGDQVOE-QGZVFWFLSA-N 441.513 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)nc2ccccc12 1507667946 USJGQYKUSWAJOH-FQEVSTJZSA-N 428.496 2.297 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCOc1ncccc1F 1507709631 WILOXAMEVSCVRB-UHFFFAOYSA-N 439.447 2.373 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(N(C)C)CCC2)CC1 1507732031 HLAFIULOQXSITE-UHFFFAOYSA-N 438.576 2.105 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2c(CC)noc2C)CC1 1507736802 SGZXKFFSOLLCJC-UHFFFAOYSA-N 433.516 2.213 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1507756876 ZUPCRJYHMDUBGQ-SFHVURJKSA-N 427.574 2.140 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507782333 AUKKPKPVMPBTBO-CQSZACIVSA-N 435.326 2.418 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1507918696 HSVFREKCSQUHTJ-CVEARBPZSA-N 425.599 2.261 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1507957139 LHUIGNCJWMSVOP-SFHVURJKSA-N 440.548 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508076227 YLAMRKZHQVYJKL-CJNGLKHVSA-N 434.338 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCOCC1 1508135292 HKQVGVKOQFZJAP-UHFFFAOYSA-N 441.351 2.145 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508167460 KJFMWEQLDTUUTQ-QGZVFWFLSA-N 434.610 2.013 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1509783247 TYSBDWNMCSVOFQ-MOPGFXCFSA-N 430.578 2.473 30 10 IEEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@H](C(F)(F)F)O1 1512498637 HJMBITYMEWRZNR-IUODEOHRSA-N 438.410 2.069 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1517105332 GADXAVMKYKXKFX-OALUTQOASA-N 429.546 2.115 30 10 IEEE COCCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1519039049 HIIZFJCNXVBDJN-BBWFWOEESA-N 434.541 2.204 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1F 1519164985 XALAOUQYFWKZQL-HNNXBMFYSA-N 436.438 2.256 30 10 IEEE CCN(C(=O)c1ccc(C#N)c(Cl)n1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 1519454445 ACPVMVZYEFWCNM-UHFFFAOYSA-N 426.908 2.332 30 10 IEEE CCOC(=O)c1c(NC(=O)c2coc3c2C(=O)NCC(C)(C)C3)c(C#N)cn1CCOC 1525335961 SRKXTOGDBLRSRA-UHFFFAOYSA-N 442.472 2.340 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)Cc2c(C)cc(C#N)cc2C)CC1 1526731408 WPUKYUFVNFLIEX-UHFFFAOYSA-N 428.533 2.351 30 10 IEEE COC(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1 1527273463 CLRJGJJHGRTKNH-FCDQGJHFSA-N 429.498 2.467 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)cc2C1=O 1537620368 BENZAIICKWFQBI-QZTJIDSGSA-N 425.485 2.311 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1539230141 KRAJPLGELSBAAE-IBGZPJMESA-N 444.605 2.347 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCOCC1 1539393013 ZCPFBFLOOKGYRS-LJQANCHMSA-N 428.508 2.493 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1539902255 CFJMAZKGONUNGO-QGZVFWFLSA-N 447.609 2.212 30 10 IEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1539939859 KZBHCSNUYVKSPD-RTWAWAEBSA-N 447.543 2.436 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1539983251 WPNGMZDWDRDMDI-ZBFHGGJFSA-N 437.570 2.005 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1540005324 KHESKIZHCMCRLV-VQTJNVASSA-N 430.597 2.271 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1 1540563577 JHLNACUBFHSILJ-UHFFFAOYSA-N 430.461 2.074 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(N)=O)C1 1540863324 UDSOZDKGBOLKBX-SBUREZEXSA-N 440.548 2.039 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNS(C)(=O)=O 1541106712 AWUZIJSMVNJQHA-ZIAGYGMSSA-N 436.607 2.276 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN1CCCS1(=O)=O 1541374660 UNLNAOURNGVMGE-MOPGFXCFSA-N 428.562 2.181 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1555191083 FAYCAKWKCIQQPS-WOJBJXKFSA-N 440.548 2.077 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 1556412202 RJNLUYGAQWRFRD-HNNXBMFYSA-N 439.455 2.482 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C3(C)OCCO3)c2)s1 1556825860 QIUQIVHXPKOKMZ-UHFFFAOYSA-N 436.555 2.291 30 10 IEEE Cc1ccc(C(=O)N2CCc3nc(C(C)(C)C)ncc3C2)cc1S(=O)(=O)NCC#N 1557620092 MAOIPNHNNFJORM-UHFFFAOYSA-N 427.530 2.083 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CC(OCC)C1 1587579499 HDIQQJKQBCVTTN-YWNJXLEPSA-N 444.532 2.359 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCOC[C@@H]2C)CC1 1588898921 HSQPBAMYQNLNGB-QFBILLFUSA-N 425.533 2.485 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1589009039 YQYPUSYROLYBRE-HNNXBMFYSA-N 428.518 2.312 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1snnc1C 1594992608 LYGFENQDYFGFQI-UHFFFAOYSA-N 438.605 2.473 30 10 IEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC)C1CC1 1595026798 SBLWKZOGJZEDJD-UHFFFAOYSA-N 445.593 2.180 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C)C1CC1 1595058658 SNESTPHCQIYRDZ-HXUWFJFHSA-N 445.589 2.317 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1595170758 JFXRIDHWBBSDMA-UHFFFAOYSA-N 438.532 2.184 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595399411 YHMFVVAQGPIZTL-INIZCTEOSA-N 439.582 2.202 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@](C)=O)CCC1 1603554020 MFFPMZQZBVUBIE-PMERELPUSA-N 428.562 2.313 30 10 IEEE COCCNc1nc(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 1611006690 ZOCGNAGQLAYYOR-UHFFFAOYSA-N 427.530 2.493 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)CC1 1615992321 RKSMRGIADJAAMU-UHFFFAOYSA-N 442.520 2.148 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCCCC2)CCOC1 1616264241 WLFLBPVQFKLJIX-DENIHFKCSA-N 433.553 2.398 30 10 IEEE CCOCc1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616835269 JJNVJNNIMMUTQR-VCASGEJDSA-N 428.537 2.358 30 10 IEEE NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1618132823 ZIFRKQOPDRMGBD-KATARQTJSA-N 438.315 2.429 30 10 IEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CC1 1618891314 HOQLIINZFCVHIZ-UHFFFAOYSA-N 440.504 2.044 30 10 IEEE CO[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 1619011039 MLGONJQHQMDXFL-XMTFNYHQSA-N 446.552 2.203 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCSC 1619995567 SGXXPZMPRKNXCE-CQSZACIVSA-N 432.550 2.290 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1620044441 ZTGKHEFNNNDQIW-LEWJYISDSA-N 441.532 2.254 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1620351228 YJGIBIMDJRVBQO-NVXWUHKLSA-N 430.459 2.333 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 1624680301 YMQOMKGIMDAYCR-UHFFFAOYSA-N 427.436 2.020 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1627392311 AGVAQTFUXUQCTB-IBDYFIJFSA-N 435.528 2.146 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 1628369668 KMUPAMLFNFMHGQ-CQSZACIVSA-N 440.485 2.093 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 1628838703 SNMYWNRDSRJDDS-OAQYLSRUSA-N 426.538 2.114 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1628895434 WFQVGOZCAFJPTQ-IBGZPJMESA-N 438.532 2.467 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)nnc1-c1ccco1 1631833001 RQWJIOIYXUMCRP-ZDUSSCGKSA-N 442.501 2.424 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1632793218 UCZGDGMPWFDILK-QGZVFWFLSA-N 442.988 2.179 30 10 IEEE C=CCCC[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1634885260 SVLOAZNQVIAJJO-HXUWFJFHSA-N 447.557 2.428 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 1635088396 CWCMHOYWJJQWKV-CQSZACIVSA-N 427.523 2.488 30 10 IEEE CC(C)c1cc([C@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n[nH]1 1637413017 DLKNEHKZZPLGSB-RDJZCZTQSA-N 429.546 2.478 30 10 IEEE O=C(N[C@H]1CCN(O)C1=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F 1637460359 UIIGCOLXVUFTFA-VIFPVBQESA-N 439.728 2.295 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1642947495 VCQVUQDZHDGPHT-UHFFFAOYSA-N 431.470 2.025 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)c1c(Cl)cc(C)cc1Br)C(=O)OC 1663038248 XBIREVHPYRUHLH-GFCCVEGCSA-N 426.716 2.433 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1689848005 MTANNWDNNOIIOC-CQSZACIVSA-N 442.545 2.265 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1689993396 CKVMGBPOOVUJOX-SFHVURJKSA-N 433.603 2.032 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(N(C)C)nc1 1690105063 RCHKSNSCOCNIFU-UHFFFAOYSA-N 444.543 2.112 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CC(OCC)C2)CC1 1690115682 PJEZUBDJOXVDQZ-UHFFFAOYSA-N 429.952 2.284 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690358759 KALSMNIPLRDPTK-OAQYLSRUSA-N 439.988 2.372 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCO3)CC1 1690364268 MQFDDTZAUSNHKR-MRXNPFEDSA-N 431.562 2.418 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccccc2)CC1 1690512438 XQOUTQVDAMWBCF-UHFFFAOYSA-N 425.581 2.251 30 10 IEEE CC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)cn1 1690874143 VXZXVQDHHHLYOQ-UHFFFAOYSA-N 445.531 2.396 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1694333923 HCBDBVQMUIWICO-HSZRJFAPSA-N 445.612 2.173 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)C1CCCCC1 1698253680 BQDOQCBATKZBFS-JLEJFLCFSA-N 433.553 2.062 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1698492966 MBCMNKINHHMUAQ-RTBURBONSA-N 447.923 2.435 30 10 IEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1705509887 LERRAQXOJVJLTR-HNNXBMFYSA-N 445.593 2.050 30 10 IEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1705516733 HYWVGPWHSXZYSW-QZTJIDSGSA-N 444.536 2.119 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705524906 UWOXETUIDUQKMU-MRXNPFEDSA-N 449.552 2.489 30 10 IEEE C#CCCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705539701 ZAIMWCHWWBQQMQ-IMSXRSKXSA-N 445.608 2.279 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC2)n1 1705631659 LTOUCGBTLUKMGF-ICSRJNTNSA-N 428.537 2.039 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CCOC)CC2)CC1 1705642425 TVEQRASXCZZUQJ-UHFFFAOYSA-N 434.544 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)CCCS2)CC1 1705647255 BJKQWZGVTAOHEN-PGRDOPGGSA-N 431.606 2.424 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705706502 VWYOCWUIYIYLLG-VWNVYAMZSA-N 430.597 2.301 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705763927 IOHUQUNYRMRQRQ-WIYYLYMNSA-N 438.594 2.300 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705789161 AFOULZVYTFKAKV-UHFFFAOYSA-N 433.582 2.198 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@H]1C 1705828211 GKHTYQUGFQWWRQ-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCS(=O)(=O)C1 1705859805 GJVGDEAZATZWMV-LJQANCHMSA-N 449.540 2.234 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1705899951 LPUZHXOSNRNRKD-IAGOWNOFSA-N 427.553 2.097 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1cc(F)cc(F)c1 1706864065 FBSOUFBQIACKAU-ZDUSSCGKSA-N 438.504 2.149 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1coc2ccccc12 1706870598 FPVVHPSWWZLYRO-BFUOFWGJSA-N 432.481 2.125 30 10 IEEE CCc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)o1 1708982090 CPXWXURAKKXBNP-FOIQADDNSA-N 432.550 2.217 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1710122953 IETDVYRIVBKIMY-KPDCDPCYSA-N 441.532 2.274 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2conc2COC)CCOC1 1710463425 FEHWYTPFFVTAGQ-RTWAWAEBSA-N 430.509 2.243 30 10 IEEE COCCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1712609879 PKHJEYKWNIXGKM-NRFANRHFSA-N 427.509 2.109 30 10 IEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCO[C@H]2CCOC2)CCO1 1712886622 YUORZYBNMIIKOS-SFTDATJTSA-N 425.533 2.378 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1722296556 RPSDLKZCOMZKTM-HKUYNNGSSA-N 446.573 2.020 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722321506 GUDDGXKEHJUUPN-UHFFFAOYSA-N 440.596 2.056 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722368303 PRCVTICZYRBGBM-QGZVFWFLSA-N 448.618 2.355 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCCCn1cc(Br)cn1 1722403313 OOFPZKCXLOZACO-UHFFFAOYSA-N 436.358 2.315 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1722405102 JFLHIPRRUBSEHO-UHFFFAOYSA-N 440.367 2.059 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C(C)(C)C 1722420720 KKUQHOZPQGKBHW-LJQANCHMSA-N 448.589 2.496 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)n1 1722428520 WZBZMOVSFUTZRO-NZQKXSOJSA-N 442.564 2.222 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnccc2OC)CC1 1722434473 SLPURJJAKUXJNR-UHFFFAOYSA-N 433.472 2.060 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1722466911 IEGATTNDZJLFCH-LAUBAEHRSA-N 436.626 2.002 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1722539051 FCTKZLWYPBTHQS-KRWDZBQOSA-N 431.500 2.306 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722694705 FJFJLGAEYKXTAE-NVXWUHKLSA-N 427.505 2.022 30 10 IEEE CCc1nc(Cn2c(CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 1727473265 AOCFVLXJRCIPEY-UHFFFAOYSA-N 425.566 2.148 30 10 IEEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729724543 SOADQMVUZGGTTH-UXHICEINSA-N 432.532 2.019 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O 1740541427 YZIHJZMPGQOKBZ-ZDUSSCGKSA-N 440.367 2.023 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740619453 IUZCOURETFZENN-QUCCMNQESA-N 427.574 2.056 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1740639297 ACVZGSCKEQGMEC-JENIJYKNSA-N 438.553 2.186 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740687061 QKGQLWFGKPDOTM-RDPSFJRHSA-N 440.544 2.302 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740720227 SPVLYCBRXOEQIO-FQEVSTJZSA-N 436.585 2.443 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740756664 QKILPLGIHXGGLG-AABGKKOBSA-N 445.589 2.444 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC(N)=O)c2)CC1 1740829392 AMYLWFUWFSGQPL-RXVVDRJESA-N 441.532 2.071 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1740890246 VUTGVHVRPAKFIR-CQSZACIVSA-N 425.580 2.105 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740964112 IHKMPHVNLKRICC-APWZRJJASA-N 429.496 2.304 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C)C(=O)C2)cc1 1740968055 ZIORNAAFUHARFL-UHFFFAOYSA-N 435.532 2.031 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1740994952 WXHHHPRBGHWTKV-GOSISDBHSA-N 433.582 2.045 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1741126358 REGHJIFWPQWZGL-ZIAGYGMSSA-N 447.540 2.347 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1741802407 IDLFGCSIYSLUPJ-MAUKXSAKSA-N 445.545 2.354 30 10 IEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1745360396 YWZJXYNFDFVJIB-QHAWAJNXSA-N 441.532 2.274 30 10 IEEE CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1745905734 AXXOIDYZKRKNMA-MOPGFXCFSA-N 428.562 2.477 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)C[C@@H]1C 1746446206 MQLIKBHJQKOEHY-IBGZPJMESA-N 425.581 2.315 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1746464732 OHNBCIYDPFGQMC-REWPJTCUSA-N 429.613 2.330 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1747355766 GINDRUYXUVKZDQ-UHFFFAOYSA-N 448.531 2.287 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1747410017 DTRNMINUUIMIFX-UHFFFAOYSA-N 447.492 2.380 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1747441065 BBZCZFNTCOORND-UHFFFAOYSA-N 434.591 2.088 30 10 IEEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cnn(C)c2)cc(OC)c1OC 1748516975 FTGPBZYWKVWFCJ-UHFFFAOYSA-N 437.504 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1748665610 SPWKRFJTQJGPRE-MOPGFXCFSA-N 431.544 2.462 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1748751824 MZVQGLNMUMNZAA-PMACEKPBSA-N 428.558 2.389 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1748814170 AFELNERCIINSMZ-QGZVFWFLSA-N 444.605 2.079 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1c(C)cccc1C 1748842792 VBDYRWBUQSXIHA-UHFFFAOYSA-N 444.495 2.334 30 10 IEEE COc1ccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1748850297 KGQNIQWZQGXDEB-HLIPFELVSA-N 427.505 2.377 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1748857513 BOYHERMBCCVYLP-IBGZPJMESA-N 442.541 2.077 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1748993830 NYQYXLKEBMSIGL-QHCPKHFHSA-N 435.620 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC[C@H](C)C2)CC1 1749004915 QATPHOZEPUJHBX-GBESFXJTSA-N 431.581 2.404 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1749080302 LADZTUGNFZIDNG-OIDISNMWSA-N 445.564 2.192 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 1749136853 SVHDNPTUZKBLBM-NQIIRXRSSA-N 446.573 2.382 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2C[C@H](F)C2)CC1 1749342984 UPHOLJCPVSMZJP-KZNAEPCWSA-N 441.573 2.152 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)CC1 1749343111 WYOUJUFJAJYDNZ-QGZVFWFLSA-N 447.561 2.043 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C[C@@H]21 1750176782 CUGBSGJEANQSGE-IXDOHACOSA-N 430.459 2.059 30 10 IEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCc1cnn(C)n1 1750919240 AVHJLNLEROZMEZ-UHFFFAOYSA-N 447.547 2.218 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H](C)C1 1760226305 BBFZSONEYCXIGA-QZTJIDSGSA-N 445.589 2.470 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1760295209 QCYDKWDMHMBVBH-DKZVUGQWSA-N 428.558 2.274 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1760333495 GHZQQTUTWYFRNO-GLJUWKHASA-N 433.944 2.234 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1760334395 JVDFMJJHRGXHAA-UZLBHIALSA-N 442.520 2.353 30 10 IEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@H]2C1 1760345802 UWAMJTVRZVNEDB-LJQANCHMSA-N 446.596 2.490 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760367025 BENHHXXDQMCPQW-GFCCVEGCSA-N 448.774 2.422 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760382292 NHUMTDLPOMJANR-MJGOQNOKSA-N 432.594 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(C)ccc1F 1760547135 DXYXSOHRCBITPE-UHFFFAOYSA-N 449.552 2.199 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1760660764 FUNSVQROKVENEX-IBGZPJMESA-N 449.515 2.426 30 10 IEEE CC(C)CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1761091627 QDKUQNUALKYQQG-HXUWFJFHSA-N 437.548 2.483 30 10 IEEE CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1764265666 GXCOABSMQKGJAT-HXUWFJFHSA-N 432.532 2.282 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1768637331 DCYZMLMCSYFVEN-FQEVSTJZSA-N 436.541 2.326 30 10 IEEE C[S@@](=O)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1771371821 GZXLETOXNSMHLT-PRAQEBQASA-N 425.493 2.104 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN2CCCO)C1 1771527701 CRGNCHGIZHBXBC-GHTZIAJQSA-N 443.483 2.142 30 10 IEEE CN(C)c1cc(N(C2CC2)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ncn1 1848961082 JWTPHHGGKWCNQI-UHFFFAOYSA-N 426.546 2.236 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)c1COC)[C@H]1CCN(C)C1=O 1850863274 RETPXHXKQKUUDG-HNNXBMFYSA-N 437.422 2.291 30 10 IEEE COc1ccccc1S(=O)(=O)C[C@@H](COc1ccc(C#N)cc1)OCC1OCCO1 1851324402 YUWKBXSLIFGASA-GOSISDBHSA-N 433.482 2.178 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)CN1S(=O)(=O)c1cccs1)[C@H]1CCc2ccccc21 1852878817 UIVJGGMFJJWQIG-RBUKOAKNSA-N 428.535 2.230 30 10 IEEE N#Cc1ccc(-c2ccccc2)nc1C(=O)N1CCCN(C2CCS(=O)(=O)CC2)CC1 1852985157 MXSIZIIJRXGTCI-UHFFFAOYSA-N 438.553 2.345 30 10 IEEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@@H](C)NCCn3ccc4ccn(C)c4c3=O)C2)CC1 1853445509 WVFGHWKTECMOAE-MJGOQNOKSA-N 432.590 2.079 30 10 IEEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855080758 HMIPEEYPNUTJKA-ZWKOTPCHSA-N 430.574 2.081 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC(Cn4nccn4)CC3)C2=O)c1 1855214896 VDGUJJKEQQINAJ-LJQANCHMSA-N 426.908 2.151 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1 1856223552 XBACEEGLLOOTBB-AWEZNQCLSA-N 431.901 2.415 30 10 IEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc(N3CCOCC3)nc2)n1 1858764826 UUYVWQNQTCONOJ-UHFFFAOYSA-N 439.472 2.013 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCO)cc1O 1862574725 NURLKJZAHJELOG-HXUWFJFHSA-N 443.452 2.379 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(=O)O)cc2)cc1F 1862640820 SBNPQCQYKWKWET-ADLMAVQZSA-N 429.400 2.492 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CC(=O)OCC)=C(N)Oc2c1c(C)nn2C 1865227481 KEBKUTVKCOTZJJ-LJQANCHMSA-N 440.500 2.009 30 10 IEEE CCCCCCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532826 AAPWITYSBSUOGR-UHFFFAOYSA-N 427.553 2.371 30 10 IEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)CC1 1872919281 XBZZRHGATXUVBO-HNNXBMFYSA-N 439.434 2.479 30 10 IEEE C=CCOc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874336707 CTSAVPMEXCQPNQ-BRUSPLQXSA-N 442.545 2.027 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874500993 KESUTCCIXHXHBM-AWQFTUOYSA-N 430.446 2.216 30 10 IEEE C#CCCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883386414 MDTBCEIHTZZEHC-FQEVSTJZSA-N 427.478 2.416 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)CC1 1890152408 IZWDMFSTWWRSNE-UHFFFAOYSA-N 428.621 2.397 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 1901465583 SIEJLMDRPCDNEB-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CC[C@H](C#N)S(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994713489 PIAOHHPYSDHAIM-RTBURBONSA-N 436.578 2.329 30 10 IEEE C#CCC[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 2009949986 SRSIDCWOKAOPBO-WZONZLPQSA-N 429.517 2.139 30 10 IEEE CC1(C)OB(C2=CCC[C@@H]2NS(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2020068675 UNGIUBNHVKRATD-IBGZPJMESA-N 434.367 2.442 30 10 IEEE C=CCC1(NC(=O)[C@@]2(CO)CCCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022798718 GIANRVFBIWNCPK-QFIPXVFZSA-N 439.553 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060624132 UZLUKKJUTRDDLF-HNNXBMFYSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060638152 STEMOJABSFJJLO-KGLIPLIRSA-N 436.293 2.062 30 10 IEEE C=CCn1ncc(NC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)c(Br)c1=O 2162335309 PJIGKIJBDFBHMA-CYBMUJFWSA-N 442.358 2.155 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247919130 PCBNCZBVTHAGEQ-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE C[C@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2248416834 ZKBSMYKISMUPDK-JSGCOSHPSA-N 437.371 2.456 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255611977 ZCJWSWRAIAUAEO-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630651 NCUYVDKYTJHQCM-UONOGXRCSA-N 434.346 2.132 30 10 IEEE C[C@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255653243 GINRVMOTGPYVDS-QGZVFWFLSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255701574 SYYMDUXBOLFGOW-CABCVRRESA-N 437.321 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2256674303 JRLGUQLUPMKAGV-QFIPXVFZSA-N 432.326 2.296 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256889914 CCCVMESMQSEFEC-UHFFFAOYSA-N 437.321 2.350 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256912589 VHHOZDVXLQKSDB-XJKSGUPXSA-N 446.334 2.231 30 10 IEEE C[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2267092256 MZEZCEWBKGXJEI-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267812512 BTISIMHVEPGFLW-CABCVRRESA-N 448.325 2.183 30 10 IEEE Cc1ccc(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2268644297 ONPWSUVTYBVSAC-UHFFFAOYSA-N 446.353 2.462 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268653083 KLAOHLKUKLSWQD-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE N#Cc1ccc(Cl)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270538166 WQXNGGSVPXBRPJ-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE CC(=O)c1ccc(NC(=O)CSc2n[nH]c(=NN=CC=Cc3ccccc3)n2N)cc1 2313701677 XCQSNIXPVIDYCB-UHFFFAOYSA-N 435.513 2.458 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2328574138 RTHBKWVIOXIKNE-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C2CCC2)cc(Br)c1O 2331507872 KBHWWIXVDLOVLD-UHFFFAOYSA-N 440.323 2.482 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 59893792 CDTJBGJSTXYYLV-NRFANRHFSA-N 447.539 2.310 30 10 IEEE COc1ccc(C)cc1/C=C\C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 96879065 UNEXZZKMZNMWLK-NTMALXAHSA-N 425.510 2.422 30 10 IEEE COc1ccc(/C(C)=N\Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 97991359 OALJWZQDMKWNSU-ZHZULCJRSA-N 434.474 2.460 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 238860577 KOMGKVXITGTYLO-KRWDZBQOSA-N 428.514 2.143 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CO[C@H]2CCCc3ccccc32)CC1 430087752 FKMAJKORNWNBNX-NRFANRHFSA-N 439.537 2.485 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]([C@@H]4CCOC4)C3)CC2)cc1 439277268 QJSDDWLAFGOFJL-VQTJNVASSA-N 431.558 2.234 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 460383338 HVVVNPSVHGCCKA-HNNXBMFYSA-N 445.593 2.180 30 10 IEEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)NCCOc1ccc(C#N)cc1 466098647 BMQSNIBOJRCYRI-UHFFFAOYSA-N 431.514 2.451 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2COc3ccc(Cl)cc32)CC1 474343202 UWQPSXYTSLTQJD-KRWDZBQOSA-N 446.916 2.361 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(S(C)(=O)=O)cc1 487053543 BALWIRDCGCOPTQ-MGPUTAFESA-N 440.525 2.123 30 10 IEEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1ccc(F)cc1 489184105 CBSAFUYLTDFSAO-TUNNFDKTSA-N 434.471 2.134 30 10 IEEE N#Cc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 504621346 OLJIMUMWNAAQAA-UHFFFAOYSA-N 434.861 2.267 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 508854793 DUWFSIICZFTNMU-OAHLLOKOSA-N 442.486 2.327 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508992688 AUURSYGGWVZYJF-UHFFFAOYSA-N 444.473 2.143 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)CC1 512227274 IXAMQTZNTSSXLT-UHFFFAOYSA-N 432.977 2.376 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)c1 514307466 VPTIFMJKXGATPU-UHFFFAOYSA-N 449.507 2.172 30 10 IEEE CN(C)C(=O)CCN1CCC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 520980457 FQOJWSKTRRZMAS-UHFFFAOYSA-N 427.549 2.054 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n(-c2ccccc2C)n1 534200532 XEBCAINAZZTKOC-UHFFFAOYSA-N 429.484 2.043 30 10 IEEE CN(C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1)S(C)(=O)=O 542025592 BAGWCJIIYVHMRB-UHFFFAOYSA-N 436.925 2.285 30 10 IEEE N#Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Cl 542706168 RLGJYGKPBLKONK-UHFFFAOYSA-N 425.919 2.224 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(F)cc1 561402777 UCCMMNGKKGLRGO-UHFFFAOYSA-N 439.487 2.452 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669816734 USNICZVQTMSIOF-OTWHNJEPSA-N 436.516 2.182 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(C[C@@H]2CCCO2)C1=O 730136745 AQIQEDXJTURDPO-PMACEKPBSA-N 444.601 2.354 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 735329380 KMLSTPXRDSTTLC-UHFFFAOYSA-N 429.772 2.490 30 10 IEEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 749890937 YKBDQBRAIWXNHX-LJQANCHMSA-N 437.525 2.096 30 10 IEEE C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 751731397 PHDSIPOLMFHRCW-HNNXBMFYSA-N 444.513 2.255 30 10 IEEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 752302569 MSORUTFHQHMXKJ-UHFFFAOYSA-N 431.558 2.155 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)ccc2OC(F)F)c1=O 756849265 OKGQXRBIDZMGHI-UHFFFAOYSA-N 448.491 2.338 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cc1 758224661 FOVIFMFZPLFKQP-KORCNWHFSA-N 435.550 2.055 30 10 IEEE C#CCn1ccc(CN(CCOC)Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)n1 788369956 OWOVCISNVJGZRW-UHFFFAOYSA-N 432.484 2.296 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2CCN(C(=O)OC)CC2)C1=O 795181276 AFEMETVOPDPGRE-QGZVFWFLSA-N 443.529 2.104 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)N(CC#N)c3ccccc3)CC(=O)N2C(C)(C)C)cn1 796422714 FIFJKAYRNIMSRL-WIYYLYMNSA-N 437.500 2.208 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCO2)cc1 802684179 NHUQGDFNOUCCBU-FPOVZHCZSA-N 433.516 2.084 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 803627540 PLALNPUTGRGQAO-MJGOQNOKSA-N 428.533 2.479 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)Oc1ccc(Br)cc1 803765876 NFQQOBSUBPLJGG-IAGOWNOFSA-N 433.258 2.091 30 10 IEEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO1)[C@H]1CCc2ccccc21 812272531 KLTFNWRBEPWWSY-HQRMLTQVSA-N 443.573 2.194 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 812754445 QVLSANAFCMDXQT-KRWDZBQOSA-N 448.476 2.323 30 10 IEEE CC(C)N1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](c2cnn(C)c2)C1 849481902 OMKXOVFLLNNVNX-DNQXCXABSA-N 434.588 2.450 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 916775194 JSXPAFQPLYVBOQ-UHFFFAOYSA-N 436.493 2.254 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 920468047 YFOIWOCJMXJHPL-MRXNPFEDSA-N 434.452 2.305 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2ccn(CC(F)(F)F)n2)c1 1125125683 LAWKVTCOFBZVJX-LFVJCYFKSA-N 443.451 2.439 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1135836732 UWVRWZLXIZNBTJ-RDPSFJRHSA-N 442.560 2.353 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)n1 1150300200 FPSFUXHQCYHWFE-UHFFFAOYSA-N 426.278 2.497 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1167290915 FVAHISUFKWNBIZ-QGZVFWFLSA-N 435.590 2.385 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](CC(F)(F)F)C2)CC1 1174770816 HYBQZTHGPUYZAQ-MSOLQXFVSA-N 428.430 2.188 30 10 IEEE N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1191155591 HQRSAFBWTWYQQW-FGZHOGPDSA-N 440.569 2.155 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1286312372 VCYQIJUZOHBBKI-UHFFFAOYSA-N 426.565 2.299 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286564712 HNQZLAISMJAIGR-ICSRJNTNSA-N 434.585 2.380 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286686439 GFCPOUMJDLFOLL-KGLIPLIRSA-N 428.459 2.090 30 10 IEEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCS(C)(=O)=O 1286716440 GDHSJYWSPJOXPN-UHFFFAOYSA-N 429.546 2.485 30 10 IEEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C#N)CO)c1 1297880350 LTJFOHGFDSKDSW-AWEZNQCLSA-N 449.916 2.344 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1 1299944332 ZISHSLXWKKGLAR-IBGZPJMESA-N 445.541 2.229 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300403594 NQAHRIDNECYCMN-MRXNPFEDSA-N 446.433 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N[C@@H](C)CC 1300569706 RDIAFLHNSCPLLZ-SFHVURJKSA-N 435.528 2.484 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)OC(C)(C)C1 1301500356 LPJBGSQDWVHIQL-MAUKXSAKSA-N 427.505 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1c(C)noc1C 1301587891 YSCGIAARBBPQPQ-UHFFFAOYSA-N 430.534 2.106 30 10 IEEE CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1302459019 HOUKCDAMRVBOCF-UHFFFAOYSA-N 446.515 2.206 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 1302619301 ZWJSUHKZHXFREA-FQEVSTJZSA-N 431.514 2.058 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cn1 1303901533 VPUYEJCUYMDHLF-QGZVFWFLSA-N 437.504 2.485 30 10 IEEE COc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)NC1CC1 1304193614 JMQKVRKFZYNQLX-FQEVSTJZSA-N 441.509 2.221 30 10 IEEE CCCOCc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1313531463 PXDQECONTTTYIW-HXUWFJFHSA-N 438.532 2.218 30 10 IEEE CCOC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCCC1 1314152178 QRPUMKBZKLMROF-PGRDOPGGSA-N 433.553 2.397 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(-c2ccccc2)no1 1316209861 MAGPFRSGIXBOQP-APWZRJJASA-N 438.488 2.434 30 10 IEEE Cc1nnnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1 1357542761 CQWGXOGBLQATEJ-FCDQGJHFSA-N 439.501 2.036 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358955860 VCHAGYDTEPNUMZ-HNNXBMFYSA-N 441.479 2.490 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCSCC(C)C)CC1 1359028710 BKQGCMLUFJZRAZ-UHFFFAOYSA-N 441.605 2.460 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359061473 CVBLVLULPPBULU-KRWDZBQOSA-N 443.573 2.289 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1359271832 FFPIKAXYUBQICN-OPYAIIAOSA-N 436.578 2.087 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(C(N)=O)c1 1359821101 BKOHXKCKCQJDLM-UHFFFAOYSA-N 445.527 2.353 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2 1445029571 NTTNZKBOINYLAX-MRXNPFEDSA-N 436.534 2.071 30 10 IEEE N#Cc1sccc1C(=O)NC[C@@H](O)COc1ccc(I)cc1 1445803446 QLEBIVHFSZOHHV-LLVKDONJSA-N 428.251 2.394 30 10 IEEE COc1cc(CNC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)ccc1C#N 1449086542 NEIYPAFSJNLJRJ-PREXVCJDSA-N 435.402 2.169 30 10 IEEE C#CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1460180245 MCGCPISDFLKZGO-UHFFFAOYSA-N 442.537 2.424 30 10 IEEE Cc1nn2c(c1Cl)N(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCC2 1462914433 SBPJJDLTDZGHIA-OAHLLOKOSA-N 426.864 2.359 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)C(=O)OC 1467514930 CCZOYSGWCZNADA-HLIPFELVSA-N 432.517 2.329 30 10 IEEE C=C(C)COCCNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1469330044 SSJMZLFNRPGMIX-OAHLLOKOSA-N 438.491 2.362 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(F)(F)F 1479165033 HDNUDGWQVLFAAI-HNNXBMFYSA-N 445.467 2.012 30 10 IEEE Cc1ccccc1-c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492567770 FRJWKVRQVGOTBG-XTQSDGFTSA-N 449.559 2.310 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1503829884 FYXNJOSHZUXWKK-UHFFFAOYSA-N 430.559 2.106 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC[C@@H]1C 1504500650 VKASJYVXMXHFEV-MGPUTAFESA-N 431.500 2.220 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504520904 FSDVFOVWGSLBDE-RTBURBONSA-N 425.537 2.046 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1)OC 1504580374 GTLDPEKZKOTRBY-HXUWFJFHSA-N 448.531 2.349 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)CCO1 1505322084 IEZMUJPMTMZONH-SFHVURJKSA-N 428.924 2.310 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507581290 PUIRTDZFPBZIRI-SFTDATJTSA-N 449.603 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCOC[C@H]2C)CC1 1507718395 PEFKCFGGPHNWHQ-GOSISDBHSA-N 428.968 2.074 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1507739867 VRDZBPYZKLXKEY-NRSPTQNISA-N 443.592 2.343 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1507762058 TZPLVWMDSNFWIC-ZTCOLXNVSA-N 445.608 2.423 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1507806878 OREGXOROAVWTGC-PKOBYXMFSA-N 430.578 2.373 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1507822640 YWVMFIPFUQHVGG-HNNXBMFYSA-N 437.591 2.107 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1508080241 MKZIHNBHINJMFK-JKSUJKDBSA-N 443.552 2.315 30 10 IEEE CC[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1513558802 AZFFJYJQWOKNNJ-BDIWWCJBSA-N 435.532 2.417 30 10 IEEE COCCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1519229861 YJANPQNINSMQFR-WOJBJXKFSA-N 442.564 2.478 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)F 1519433796 LWHUEXNDHICMAG-NHYWBVRUSA-N 438.410 2.099 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 1527273645 GDMKIZQIXOQKKV-MXXSPSOJSA-N 432.546 2.133 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)c2C#N)C1 1529939173 TUYSFXXUVUTORC-NRFANRHFSA-N 448.545 2.489 30 10 IEEE CC[C@H](C#N)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1530064564 JLXPWJHUIZWIJV-CYBMUJFWSA-N 428.898 2.409 30 10 IEEE COc1ccc(C(=O)Nc2c[nH]nc2C#N)cc1S(=O)(=O)N(C)Cc1ccccc1 1533691251 HJCXQVXPBVIABG-UHFFFAOYSA-N 425.470 2.363 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)c1 1534106641 XJFMFBLZTIAHPK-PESPDQJRSA-N 442.497 2.228 30 10 IEEE CCO[C@@H]1C[C@@](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)(C(=O)OC)C1(C)C 1538803464 RIPUPJSCKHHDBH-PDSXEYIOSA-N 425.526 2.437 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539220233 HQSPCOUCGYWKAW-MUGJNUQGSA-N 448.589 2.128 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539220797 LULDIWWKEWAGLR-IBGZPJMESA-N 428.558 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1539337978 PDPUAGBZHYMCGB-KDURUIRLSA-N 437.548 2.478 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CC1(C(N)=O)CCOCC1 1539392606 UAIRPLUXIZCLMI-UHFFFAOYSA-N 425.508 2.292 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2cn[nH]c2)CC1 1539462236 QGMWDFAQHDVLLF-UHFFFAOYSA-N 425.924 2.232 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2CO)CC1 1539512865 GLXZHUSZFWCJIZ-FQEVSTJZSA-N 439.585 2.472 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1539722368 FEJVFHCZQYDUDH-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN2CCCO)CC1 1539898793 YRWCMQAMFSISGE-NRFANRHFSA-N 427.597 2.389 30 10 IEEE CC(C)CN1CCO[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1540454676 YJLZGPNWCFXRQT-GOSISDBHSA-N 435.366 2.230 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@@H]1CCCOC1 1540865154 WXSKEXGDPRPBAN-INIZCTEOSA-N 429.521 2.127 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540868243 XQNKWZJKLYRSCY-UHFFFAOYSA-N 449.559 2.483 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1540920525 YFYFDDNZXDFFRP-INIZCTEOSA-N 431.562 2.452 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc2cccnc12 1541920992 IFBRFYKKOIYIMK-OAHLLOKOSA-N 439.545 2.225 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCOCC(F)F 1544577053 XWMAQMJGVOCCQH-OAHLLOKOSA-N 448.474 2.067 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@@H]1CCCO1 1546529171 MPFUFFQHTGKLDY-IBGZPJMESA-N 425.537 2.019 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@H]1C 1547638835 FWHMJCCFYYLBPJ-QZTJIDSGSA-N 433.564 2.497 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1547899538 CZNGIVXZLRMRBV-WWPVKYPJSA-N 444.580 2.319 30 10 IEEE CNC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1554416044 QTYMMIMNQBHMAQ-UHFFFAOYSA-N 431.500 2.344 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(N(C)C)CCSC1 1555736727 ABRAKDSANZZWEY-WFXMLNOXSA-N 434.610 2.179 30 10 IEEE C[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1C(=O)OC(C)(C)C 1557112974 RFLALIGWIQSIRZ-DNVCBOLYSA-N 449.573 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1557894601 CXGHNNMJHGGINR-OAHLLOKOSA-N 432.525 2.484 30 10 IEEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1OC 1558675559 HGXLQAITZYVTDK-JOCHJYFZSA-N 442.541 2.241 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 1561957291 XXHNNFYWDNLUNB-UHFFFAOYSA-N 425.620 2.171 30 10 IEEE CN1CCN(c2ncc(Br)cc2NC(=O)COc2ccc(C#N)cc2)CC1 1587473285 BARJNVXYDUXAOX-UHFFFAOYSA-N 430.306 2.485 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCc2ccn(C)n2)c1 1587689970 VMZNIJZQRVWYEN-UHFFFAOYSA-N 440.511 2.373 30 10 IEEE CC(C)N1CCN(CCCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 1596359232 SBAVCDPWCZZEND-DARPEHSRSA-N 449.621 2.244 30 10 IEEE C=CC1(CC(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CN(C(=O)OC(C)(C)C)C1 1597956720 DQDYQPATBPAHKV-HSZRJFAPSA-N 436.549 2.496 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)CCc1c(C)nc3c(C#N)cnn3c1C)C2 1606852464 LEVVSPYHWIIQTB-UHFFFAOYSA-N 433.468 2.358 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1611780025 FJCMWWFVFZEWLC-IIBYNOLFSA-N 430.459 2.353 30 10 IEEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1612441776 NGXXZMOJGWGOKC-KRWDZBQOSA-N 432.532 2.469 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCC(C)(F)F)CC2)c1C#N 1612470183 LPVXJLNPZVTKOX-MRXNPFEDSA-N 448.522 2.458 30 10 IEEE C=CCN(C(=O)CS[C@H]1CCS(=O)(=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1616306079 UDYOAQGKNNYVER-ZWKOTPCHSA-N 425.572 2.096 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)CC1 1618829981 NMYVUOAAIGITJB-UHFFFAOYSA-N 437.426 2.205 30 10 IEEE COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1619287922 DGMNTEOMMXOWMH-MRXNPFEDSA-N 426.502 2.120 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1619590301 SSFZPDYAAOLDOC-PKOBYXMFSA-N 436.520 2.444 30 10 IEEE COCCN(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1619873118 GNCXGMRRBCRCSX-FQEVSTJZSA-N 431.472 2.264 30 10 IEEE CCOC(=O)C1=C(CN2CCO[C@H](c3ccc(C#N)cc3)C2)NC(=O)N[C@H]1c1ccco1 1620623712 FJVCIPNHTSEUKF-FPOVZHCZSA-N 436.468 2.396 30 10 IEEE CS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1621674498 DXYXLARZPIKLDT-UHFFFAOYSA-N 443.344 2.344 30 10 IEEE C#Cc1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1 1624424067 OPCMQWXHBYMOHX-LJQANCHMSA-N 432.929 2.171 30 10 IEEE COc1cccc(/C=C(/C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)n2nnnc2C)c1 1626962194 AYFMRBGQLSIDFM-YRUATGHUSA-N 430.468 2.460 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)s1 1630325084 DXVBVXQHPKFLCP-CYBMUJFWSA-N 431.580 2.127 30 10 IEEE CNC(=O)NC[C@H]1CCCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1632169854 LCBOHWYPPNJNHA-MRXNPFEDSA-N 440.504 2.333 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccnc2cc(C)nn12 1633937559 HTIBZACHWZJQML-HNNXBMFYSA-N 426.502 2.274 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2c(F)cccc2F)CC1 1639910217 KJXVYCZQGFQABI-UHFFFAOYSA-N 448.495 2.132 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1640353942 UVCYCWIRLNSVND-INIZCTEOSA-N 445.969 2.419 30 10 IEEE COc1cccc([C@@]2(C)CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1640533919 QBGCJQFKHKUHBV-AOMKIAJQSA-N 427.526 2.424 30 10 IEEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1640555054 KBNNBKYWDMQJKZ-IBGZPJMESA-N 441.488 2.225 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1 1641605000 DWGUNMHMGHWDII-UHFFFAOYSA-N 438.553 2.280 30 10 IEEE C=C(C)C[C@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OCC 1651052179 ISPDJGJAHJGZCN-SFHVURJKSA-N 432.517 2.383 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3Cc3cc(F)ccc3F)CC2)o1 1659055466 OCPDXJVHFXHZRO-SFHVURJKSA-N 429.471 2.489 30 10 IEEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cnn(C)c1I 1661800768 DOZFWRSFEJENCZ-UHFFFAOYSA-N 431.299 2.444 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 1681951302 LABYAYRJFVCHIR-HKUYNNGSSA-N 438.981 2.161 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1689861291 SFYAIOZALGKCLP-QGZVFWFLSA-N 440.573 2.191 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H](C)N1CCOCC1 1689864436 AFGRNGNHGKKTMO-MOPGFXCFSA-N 427.549 2.434 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)[C@@H](C)CC 1690006640 VYLZBYYJQYXSPB-HTAPYJJXSA-N 428.558 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)CC1CC1 1690041825 KHXGPSLCQQBXPS-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=C)Cl 1690104297 RVZRVRFVJCAWKY-INIZCTEOSA-N 439.944 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2snnc2C)CC1 1690140033 JNCLIFTWPGLLNK-UHFFFAOYSA-N 439.520 2.258 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1C 1690174202 AHKQEKFUWOWPIZ-SFHVURJKSA-N 448.614 2.370 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOCC1 1690560671 YINIQEDRZQBIQR-OAQYLSRUSA-N 449.559 2.016 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C#N)CC2)n1CCCCCO 1692912817 BXHRFULAQJLBRC-UHFFFAOYSA-N 445.593 2.449 30 10 IEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2COC(C)(C)OC2)CCOC1 1697227857 HHFKAIFNIJRFSL-HSZRJFAPSA-N 441.532 2.458 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC[C@@H]1C 1697676735 LPWZMACNRCDGDA-BBRMVZONSA-N 436.438 2.356 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1697978151 HHGPVOZRUAPGNO-AZUAARDMSA-N 438.532 2.212 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705538662 WKOMNZIDWOJRCA-SJORKVTESA-N 429.546 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNc1ncc(Cl)cc1Cl 1705572306 XKDQSHAWEAPUTE-UHFFFAOYSA-N 446.342 2.401 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1705595834 ICWXBVDIDFTWSQ-YLJYHZDGSA-N 446.511 2.108 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2([S@](C)=O)CC2)CC1 1705642194 KEOZYTJGHJPANL-HKBQPEDESA-N 441.601 2.140 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705666571 BVKRYAMYJXPRGZ-QZTJIDSGSA-N 432.594 2.078 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCN(CC)CC2)C1 1705925835 UZRKWIPUOPHFMQ-RTWAWAEBSA-N 432.613 2.329 30 10 IEEE CC(C)C(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706232352 BBOQISJEXONNDG-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(N(C)C)CCOCC2)CCOC1 1706661305 VXYZLVBRYFFUGG-GCJKJVERSA-N 434.585 2.168 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCCN1CCOCC1 1709137054 HPXLNDFLSNESJU-UHFFFAOYSA-N 441.555 2.290 30 10 IEEE COC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711494934 CSURYZWRMPPENY-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1COc2ccccc2O1 1712459820 VGCVXMQQXTVXPW-LJQANCHMSA-N 434.500 2.470 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1712593059 JDPSLKUZNFBQNB-NRFANRHFSA-N 448.527 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1722293135 KUSQIHBXZDWFIP-MKTHODDLSA-N 440.573 2.462 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722366298 HTFMYGZZJNQVHA-ROUUACIJSA-N 449.646 2.468 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1722370220 MERKFLQELVLPDQ-IBGZPJMESA-N 446.573 2.277 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccco1 1722384793 UHHCYVRVFJEHHM-GOSISDBHSA-N 425.489 2.301 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCNC(=O)c1cc[nH]n1 1722418098 FCSNIOXBGDETNQ-UHFFFAOYSA-N 444.474 2.272 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccc(C)cc2)CC1 1722433203 PFWOLNYJQZAUJD-XMMPIXPASA-N 439.560 2.073 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1722455783 WSWRQYBHWSIRQL-INIZCTEOSA-N 438.561 2.291 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC)C1CC1 1722650526 CZZIHIRGMWGGRO-FQEVSTJZSA-N 445.589 2.377 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)ccc2OC)C1 1722709424 QEPCZYMTFQUZGY-LJQANCHMSA-N 441.532 2.361 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1723777961 CHGPGBUFDJYLRE-SUMDDJOVSA-N 448.568 2.361 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1726680501 QVISGFKDWNOAGB-MYDZZUQKSA-N 439.545 2.197 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCn1cncn1 1729565985 RXNAAGXXTDSFJC-UHFFFAOYSA-N 444.341 2.468 30 10 IEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)(C)C 1729875932 FSUUIQGETXCVSG-WOJBJXKFSA-N 440.548 2.219 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730494038 JEIISRJUIADORQ-VQTJNVASSA-N 428.512 2.308 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730494306 DJHYOCMHLFQLFN-WMZOPIPTSA-N 444.511 2.027 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccco1)N(C)C 1740542627 XXUZQYLVOQNGBT-APWZRJJASA-N 431.504 2.275 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740620003 SKAPRZRYPTUQAV-QGZVFWFLSA-N 433.578 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccs1 1740641527 BGRCHLSTZQDLLB-UHFFFAOYSA-N 443.536 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740652736 LEZZEYXRFCSSMO-UHFFFAOYSA-N 430.512 2.171 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCCC2)CC1 1740690428 UNRBANJWHYIRLZ-UHFFFAOYSA-N 436.560 2.208 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740848937 UWXYUQQPNUBRDO-QGZVFWFLSA-N 427.553 2.361 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1740851417 VUGMERGZBWTVTF-HZPDHXFCSA-N 443.639 2.155 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)on1 1740992785 ODWXFDSMNBBGEO-UHFFFAOYSA-N 436.563 2.167 30 10 IEEE CC1(C)CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1741998328 GFRSKTWKVWIRKQ-GCJKJVERSA-N 448.637 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(O)(CC)CC 1748649624 QWFRIHKJOJQKOH-INIZCTEOSA-N 433.578 2.204 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1748738459 DMPBWAARXZAQOB-UHFFFAOYSA-N 447.547 2.219 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN(CC)CC)cc1 1748824412 AJKTWFPHSWXGSE-UHFFFAOYSA-N 432.572 2.477 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1CCOCC1 1748834756 VTWLUPUYBDHCMP-UHFFFAOYSA-N 427.936 2.402 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](c1ccco1)N(C)C 1748852749 LSKDQJFHSKGHOO-HXUWFJFHSA-N 427.512 2.485 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1748908294 XMULIFUHQPNMEH-DEOSSOPVSA-N 437.544 2.112 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)c(OC)c2)CC1 1748992981 LYUAZRCOWJVDHS-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1749071289 BFXSBTHCPRHETI-HSZRJFAPSA-N 425.508 2.249 30 10 IEEE C=C(Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1749246048 FKXFADCMPUNOHI-UHFFFAOYSA-N 432.528 2.272 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1749600402 XRSXJNKNZGMHGI-FQEVSTJZSA-N 442.564 2.091 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1749676103 DUQUPEVACANNNK-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2CCCCCCO)c1 1750381999 NFJPRWUQULPLHR-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752657274 JTVQCNCRUCSRBC-OXSIFRCXSA-N 428.537 2.322 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N[C@@H](C)CC 1760160420 CZRFLYLYVVVLAF-HNNXBMFYSA-N 430.940 2.236 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1760192638 LFMMZBHSZHHVQD-UHFFFAOYSA-N 439.903 2.060 30 10 IEEE C#CCN(CC#C)c1nnc(C(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760193755 PNKJAVDHEVWCHF-CEXWTWQISA-N 427.549 2.499 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1760522421 STOXGDHIOKWQMV-KRWDZBQOSA-N 441.532 2.141 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCS1 1763177020 GNPRFLBOXQYHDR-VFNWGFHPSA-N 426.546 2.149 30 10 IEEE CCOC1CC(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2C(C)(C)C)(N2CCOCC2)C1 1766117059 CEEOVWIQVFIZLG-PDRFFQIWSA-N 434.560 2.287 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCN1CC 1766335747 KGHURFAJKDGHJQ-SFHVURJKSA-N 425.537 2.224 30 10 IEEE N#CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSCCCO)CC1 1770744182 HNZNNZPUNPCGIV-UHFFFAOYSA-N 439.545 2.449 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1771261552 IROIVGOUMOHFSH-DRKIFQHWSA-N 443.573 2.217 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 1850574453 DZMZOYVEGLJYJG-HNNXBMFYSA-N 427.867 2.447 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)N1C[C@@H](C#N)[C@@H](c2ccccc2Cl)C1 1851001306 KHHCUWUQAGXJNC-QAPCUYQASA-N 441.919 2.492 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1C#N 1851417459 YOKDJQIHJNHSGN-VQTJNVASSA-N 433.512 2.491 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853952670 FQJMHCCALSPONZ-CQSZACIVSA-N 447.900 2.039 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3C2)C(=O)C12CCCCC2 1854401114 LCFDUMOPSKNHDS-LJQANCHMSA-N 429.542 2.019 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccn(C)n1 1854527626 QPQCEYVCOGSBJK-MRXNPFEDSA-N 428.514 2.269 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)cc2)cc1F 1862639459 ZAEQSNXMLHKPIN-LJQANCHMSA-N 428.416 2.254 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(CC)nn2CC 1865225249 MVAOJFDIIOFPNK-SFHVURJKSA-N 426.517 2.176 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)cc1 1866113725 PEKQLBGXVJSXQO-UHFFFAOYSA-N 427.461 2.323 30 10 IEEE C/C(=C\C(=O)N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 1867073882 JQLXNXYLFVBJNR-RBFDBLARSA-N 440.525 2.355 30 10 IEEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(N3CCN(CC)CC3)ncnc21 1873561916 FUBGLYULOLMTPA-UHFFFAOYSA-N 448.571 2.394 30 10 IEEE CCCN1CCN(c2ccc(N3CCN(C(=O)Nc4cccc(C#N)c4)CC3)nn2)CC1 1890579506 NVWOLUIWEFUSJQ-UHFFFAOYSA-N 434.548 2.234 30 10 IEEE COCCN1CCN(C(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)CC1 1892228380 FDSGEEIZYVFXQZ-UHFFFAOYSA-N 429.546 2.282 30 10 IEEE C=CC1(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)C[C@H](O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1910006582 GKZNHPYXMDPLOH-FPTDNZKUSA-N 439.553 2.332 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)C1 1910281071 PKEAZXBAUWEVLN-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1984848957 HXQCBWPBIIKCEP-UONOGXRCSA-N 429.514 2.330 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2249490502 HHFSPCDHOIYSKM-UHFFFAOYSA-N 432.273 2.330 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2254627184 HNJNJWFHANCGLS-UHFFFAOYSA-N 434.390 2.274 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2255361954 CCRKMSGDDOSUID-UHFFFAOYSA-N 433.358 2.237 30 10 IEEE C[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)C(F)(F)F 2255539246 WVONJBDPMLVPNM-AAEUAGOBSA-N 430.232 2.108 30 10 IEEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)C[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2255630161 GOXURFISRVBQLH-INIZCTEOSA-N 427.354 2.305 30 10 IEEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255870983 PVNMVQNNYSWEHO-LJQANCHMSA-N 425.338 2.435 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255878497 ZOMIKJGNYUUWKA-ZBFHGGJFSA-N 431.342 2.414 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2266063441 YHNMKUCSJATISG-UHFFFAOYSA-N 447.341 2.392 30 10 IEEE Cn1nc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267130352 NJNGWFZBVAAGDP-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2267143842 NSCRLGMXNXCBHG-IIAWOOMASA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267169075 WCQZNWDEKMTKSU-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267188585 OGKVOZWOUXWKQW-ICSRJNTNSA-N 436.365 2.066 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267878866 CKYITVZYNMAACS-HNNXBMFYSA-N 446.357 2.105 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2268655846 QHOPJHTWLNUJKN-HOCLYGCPSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268721183 HVCBOHCUSVPSAO-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2312857198 YLDQLDSPXPJLNL-XYPHTWIQSA-N 431.342 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]1C2 2312860944 IECINVDJDMCCLB-UKPHBRMFSA-N 431.342 2.442 30 10 IEEE N#Cc1cc(Cc2ccc(NC(=O)C=CC(=O)O)c(C#N)c2)ccc1NC(=O)C=CC(=O)O 2313506065 RADVZTXUWRECKM-UHFFFAOYSA-N 444.403 2.179 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(N)=O 2317335603 IYUSTYGOGABXQT-HNNXBMFYSA-N 433.314 2.484 30 10 IEEE Cn1cccc1C=Nn1c(Cc2ccc(Br)cc2)nnc1SCC(N)=O 2325927117 ATVAWIZFVXNIAH-UHFFFAOYSA-N 433.335 2.430 30 10 IEEE COc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc1OC 2329825957 XKTUKXVUCXMZEC-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE C=CCOc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CCOC)cc1OC 32834860 PAQXISGQDAEUGT-UHFFFAOYSA-N 428.489 2.429 30 10 IEEE C#CCN1C(=O)[C@]2(N[C@H](CC(C)C)[C@@H]3C(=O)N(c4nccs4)C(=O)[C@H]32)c2ccccc21 59256582 ZXAFZSVPNLISFZ-CNWOVPGOSA-N 434.521 2.142 30 10 IEEE CCCC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)n[nH]1 59891303 PBNYRZOCNFYZTM-KGENOOAVSA-N 449.585 2.165 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(C)c2)[C@H](C#N)C(=O)N3)CC1 72444745 OTFDPGWMQZXFKY-DLBZAZTESA-N 435.484 2.082 30 10 IEEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1 103459532 QGZQLXNEZJMYDB-UFIXSJTLSA-N 432.527 2.314 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1F 447265980 JHXCFEWWUALCFW-MRXNPFEDSA-N 444.528 2.355 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccccc1C#N 479374494 DRJTUWXMBPCMBX-OAHLLOKOSA-N 444.516 2.293 30 10 IEEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482517567 ZQZWEPDNCPCVQX-ZTNFWEORSA-N 447.557 2.195 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507320550 AVJPJCPRPGJJEY-QHCPKHFHSA-N 444.532 2.040 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 508823110 BRGZMKAGMPXRMR-QGZVFWFLSA-N 435.887 2.307 30 10 IEEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)Cc1ccc(C#N)cc1F 511016681 VPBMREHBFAWPLZ-UHFFFAOYSA-N 445.925 2.057 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 520051434 VISBLLDHILWRQE-NRFANRHFSA-N 441.553 2.114 30 10 IEEE COC(=O)[C@H](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1ccc(OC)cc1OC 527007053 SHFRTDJEGJVOPL-LJQANCHMSA-N 442.472 2.119 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(F)cc3F)CC2)cc1 531129087 LTEVPAPXJBBEDS-UHFFFAOYSA-N 449.479 2.432 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OC)nc3)c2=O)o1 532108754 JLJTVHHFRNQENP-UHFFFAOYSA-N 435.505 2.330 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C[C@@H](C)C#N)C3CC3)CC2)cc1 533140650 MQAAPCMDTCIJDO-INIZCTEOSA-N 447.557 2.415 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 534916014 CQCGUHNUGBABAZ-CQSZACIVSA-N 449.479 2.325 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)n1 578257891 MVEAMADQFXSUOP-UHFFFAOYSA-N 426.839 2.974 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCc1ccc(C#N)cc1F 609229646 GRYRPZAIGFNQAW-FQEVSTJZSA-N 447.488 2.088 30 10 IEEE COc1ccc(-n2cc(CNC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)nn2)cc1 610665614 OKALNNQUZHNHGF-UHFFFAOYSA-N 432.488 2.011 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cccc(I)c2)CC1 619510025 CPXPOPNDUMVLEK-UHFFFAOYSA-N 447.280 2.319 30 10 IEEE C=CCOCCNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 682880669 GXHMLZASGSOQKM-HNNXBMFYSA-N 446.367 2.104 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C)nn1 730405881 MVRYKHQRZCZVCD-UHFFFAOYSA-N 446.876 2.013 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1 732649367 GYAWMULIJUDIGG-MBOZVWFJSA-N 430.574 2.166 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCN1C1CC1 732664938 RDPLXPSNOWDZSX-LJQANCHMSA-N 428.489 2.439 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CCN1C1CC1 732706901 RKWYXNRLMLREJK-DLBZAZTESA-N 432.908 2.035 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 733253778 PFLHRTNHJVQPQG-KRWDZBQOSA-N 432.299 2.355 30 10 IEEE CCOc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)cc1 734292764 VIVMXNFGUGCFDH-INIZCTEOSA-N 427.482 2.123 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 746201613 ADEKEZOQZNDLDM-HNENSFHCSA-N 449.305 2.119 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1nc(C(C)C)no1 747168587 PCCDITYANCWMGU-MRXNPFEDSA-N 447.561 2.395 30 10 IEEE COc1cccc(OCc2nnc(SCCS(=O)(=O)c3cccc(C#N)c3)n2N)c1 753968729 OZAUXDDFRBUQMS-UHFFFAOYSA-N 445.526 2.017 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(Br)c2)c1=O 758049499 GXJGIOGMUUCAJN-UHFFFAOYSA-N 445.313 2.317 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 769854152 KKUYCHBNLWTCHN-AWEZNQCLSA-N 441.481 2.054 30 10 IEEE CCOc1cccnc1C(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 770117326 UEEOMQUFSYUUOI-UHFFFAOYSA-N 436.424 2.017 30 10 IEEE CCn1c(=O)c(C(=O)CNc2ccccc2O[C@H](C)C#N)c(N)n(Cc2ccccc2)c1=O 779740028 DMELGBOYIHVIMG-MRXNPFEDSA-N 447.495 2.246 30 10 IEEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(-c4ccsc4)c3=O)n2)c1 790428585 WWNVDCDVOSKROP-UHFFFAOYSA-N 430.518 2.185 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ccc(F)cc2)C1 791164857 RLKNLLOYILKJGK-SFHVURJKSA-N 445.516 2.153 30 10 IEEE C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2c(F)cccc2CC)c1=O 794644216 CZGVXEGVVMCGKB-UHFFFAOYSA-N 431.492 2.386 30 10 IEEE CCCN(C(=O)[C@@H](C)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 803922885 WKHZTNGIKIYIBG-RDTXWAMCSA-N 436.505 2.086 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 804186823 PLLAPXIPMXYUBJ-UWJYYQICSA-N 443.610 2.462 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 807743574 ONJVFHKTUSBJIA-MJGOQNOKSA-N 428.533 2.479 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C1CCCC1 808536026 ASMOXIJNCLRQCH-UHFFFAOYSA-N 433.574 2.039 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H]2CCCCO2)CCN1C1CC1 1118981492 SMOZUVQDYXMJIO-MOPGFXCFSA-N 436.516 2.419 30 10 IEEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1125727917 SKZXRCQBPSMEPY-SFHVURJKSA-N 431.537 2.357 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 1126293830 JFQKIMHXZPHHPM-DOTOQJQBSA-N 428.489 2.417 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1135762157 BPBOLXVZGXATBG-WOJBJXKFSA-N 429.565 2.240 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1136365845 MFYSSTKPQRONLT-HJWRWDBZSA-N 438.509 2.143 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)cc1 1144699105 UQHDZUMZZQBQBY-UHFFFAOYSA-N 437.540 2.377 30 10 IEEE C=CCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 1153447587 GJQXIEGYUVOILW-UHFFFAOYSA-N 432.498 2.159 30 10 IEEE Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159490745 UOLOFBNCNWAQIN-UHFFFAOYSA-N 444.373 2.235 30 10 IEEE CCN1CCN(CC(C)(C)NS(=O)(=O)c2cccc(Br)c2C#N)CC1 1191455840 GIZAQJUDEPBMMT-UHFFFAOYSA-N 429.384 2.015 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)[C@H](C#N)C1 1225936346 DBXXFXALWMDFMC-KZNAEPCWSA-N 426.521 2.335 30 10 IEEE COC1([C@@H](C)NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCOCC1 1230218335 NCLRHALVXQLZBJ-OAHLLOKOSA-N 444.511 2.281 30 10 IEEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1251286068 QTIZDCGXNZXGKU-FQEVSTJZSA-N 428.514 2.092 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286345219 XTIDXYFBMHSHCW-SFHVURJKSA-N 436.560 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1286368139 WEZZIUVCOMKNFM-UHFFFAOYSA-N 448.527 2.312 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286717281 ZQNMMYNCHLYHIB-HXUWFJFHSA-N 441.532 2.390 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCN(C)C1 1286766536 SYKWUXOHNLZTTJ-NRFANRHFSA-N 435.956 2.313 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@]1(OCC)CCOC1 1286792610 CZQIBJMENPPBIW-SFHVURJKSA-N 430.336 2.132 30 10 IEEE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 1287454658 TXBACCBYFHNCIX-UHFFFAOYSA-N 434.905 2.224 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1C 1289830402 ZWYNTSILDCVYDS-OALUTQOASA-N 438.532 2.117 30 10 IEEE Cc1csc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1290334559 ZWUUHXLBUVPTJG-CYBMUJFWSA-N 434.547 2.408 30 10 IEEE C=CCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)C(=O)OCC 1296420539 KXCRRGYNRNUOEM-IBGZPJMESA-N 438.480 2.334 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1300380678 FOIGNWICUVVCNS-ICSRJNTNSA-N 444.605 2.012 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300390824 AFLVJBZGGHZTJG-IBGZPJMESA-N 438.576 2.404 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1300479389 NJRLDWNEWUQWNG-QGZVFWFLSA-N 446.573 2.268 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1csc(-c2ccco2)n1)[C@@H]1CCS(=O)(=O)C1 1300499467 SESAADLEDLJHEC-OAHLLOKOSA-N 431.543 2.232 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300499608 VNWXBDZTIRYJTF-ICSRJNTNSA-N 425.558 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1300553835 UWJWMUZLWWCMQK-GOSISDBHSA-N 442.564 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCO2 1300558734 ATEYWKCSUKPXLX-DEOSSOPVSA-N 436.512 2.213 30 10 IEEE COc1ccncc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1300694555 BVEOHSZNNRZKBC-FQEVSTJZSA-N 441.492 2.163 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)C2CC2)CC1 1300718295 JDUGUMPWAJEZPQ-QFIPXVFZSA-N 442.951 2.120 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)C1 1301555295 AWWQSBZWBILAQS-RDJZCZTQSA-N 438.500 2.288 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2CCCCCO)cc1 1302989854 VIURHJYKSVZTKH-UHFFFAOYSA-N 437.548 2.317 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1304346521 SJCTUIQRQCWCKZ-LZICOFPGSA-N 442.545 2.315 30 10 IEEE N#Cc1c(NC(=O)CN2C(=O)N3CCCC[C@H]3CS2(=O)=O)sc2c1CCCCC2 1307386825 SUTYENCWTVLTAR-ZDUSSCGKSA-N 436.559 2.447 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](CO)OC(C)(C)C2)cc1 1307856474 HZSHLZLXTNEYAF-IBGZPJMESA-N 426.517 2.385 30 10 IEEE C#CCN(Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)[C@H]1CCS(=O)(=O)C1 1308614195 OLTZWZRKVLXWEI-SFHVURJKSA-N 436.574 2.460 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1314080159 DKIZTTVYNMVUFJ-HXOBKFHXSA-N 440.548 2.276 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1314579378 OYALAAUDVYZRAK-PMERELPUSA-N 426.502 2.048 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1314938380 COBBDSKSJYVAMY-UHFFFAOYSA-N 444.543 2.311 30 10 IEEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1316474272 NLBMLTFMECJCKT-HNNXBMFYSA-N 434.591 2.040 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3C)n(C[C@@H]3CCCO3)c2=O)nc1 1319690769 NKDCDNYQGKEUPI-IBGZPJMESA-N 445.544 2.487 30 10 IEEE C#CCCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358935361 FWBNSWICQGOTCN-NRFANRHFSA-N 438.594 2.136 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1358950306 GDZLIXMZOGVACJ-OAQYLSRUSA-N 430.512 2.499 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1cnn(C)c1 1358951936 RIWYSIHHVCUHAH-UHFFFAOYSA-N 446.603 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)noc1C 1358991721 MKBXDPBEWXGKOP-UHFFFAOYSA-N 441.495 2.308 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359055250 XRSMYNTXGOZSDL-UHFFFAOYSA-N 439.589 2.330 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1359098953 HZLHEINSHURADA-QRVBRYPASA-N 432.569 2.005 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359131269 NUMZIULDRDMQCZ-UHFFFAOYSA-N 448.593 2.101 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359137575 TYGYRBBXVLCNKM-LJQANCHMSA-N 432.569 2.450 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359202411 RYFCZAALNCODPF-MSOLQXFVSA-N 429.569 2.168 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359309325 OVEWPNLGKBFBLV-IBGZPJMESA-N 431.562 2.204 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1359337158 KWZPWILCJBMZBI-RDJZCZTQSA-N 443.639 2.203 30 10 IEEE CCOC(Cn1ncc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1N)OCC 1440687001 SYQXWQKNPHKBHN-IBGZPJMESA-N 444.511 2.026 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 1464848881 SHWTZUWOYZMDFA-UHFFFAOYSA-N 426.904 2.425 30 10 IEEE C=CCNC(=O)CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1466425753 BKXMXAIKHKEPAJ-UHFFFAOYSA-N 444.576 2.354 30 10 IEEE C=C[C@@H](COC)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1467331139 BOVSLSXDMZOILU-ZDUSSCGKSA-N 444.326 2.066 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1472249153 BNNCCAHZJOFACV-YJBOKZPZSA-N 426.517 2.073 30 10 IEEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1503378626 DSUNAGSHOWXNRF-UXHICEINSA-N 442.589 2.170 30 10 IEEE CS[C@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1505206995 CIBLWLNNESJSED-CJNGLKHVSA-N 438.579 2.123 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2cccs2)CCO1 1505323331 FKZYOQWMVWQJDD-MRXNPFEDSA-N 440.504 2.228 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1nc2cc(OC)ccc2n1C 1507516992 OFNLEWXNSFYROZ-HOTGVXAUSA-N 426.521 2.404 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(C)c1C 1507699740 KFDCYXREBUBHJD-UHFFFAOYSA-N 435.507 2.383 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2(O)CCCC2)n1 1507716001 FPUBYLQIZVXSCL-UHFFFAOYSA-N 435.532 2.128 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1507733213 PYNZHVHYUBZGEJ-HXUWFJFHSA-N 437.548 2.027 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507817028 MHDBWFKHHUAXOC-MRXNPFEDSA-N 425.459 2.401 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507853448 GFWSOAYNYZCDGN-UHFFFAOYSA-N 441.879 2.233 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1507959115 HNGHMFPTXXFALY-HSZRJFAPSA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOC(C)(C)C1 1508081805 PJWIPGPDEDBCBQ-UHFFFAOYSA-N 446.983 2.448 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1508092651 DSEJJPDRRCMRTA-CQSZACIVSA-N 448.980 2.193 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1509941137 TYPRACOQJOUEDE-ZDUSSCGKSA-N 436.442 2.304 30 10 IEEE CCCCN(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1514447548 UFUYULICSSEJGV-UHFFFAOYSA-N 446.563 2.060 30 10 IEEE COCC1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CCOCC1 1518793159 ZZYUDKROQZUAJP-OAHLLOKOSA-N 430.509 2.045 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CCCn2cc(CO)nn2)C1 1521069128 DMOAYFAWDPKHDD-QFIPXVFZSA-N 438.511 2.069 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1536546320 DDWNYIYSFAPMHS-NTCAYCPXSA-N 442.559 2.134 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539216463 SGLUKRLNHVUVLZ-NVXWUHKLSA-N 448.618 2.140 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539220253 QWYGDRRPLHZEIU-VQTJNVASSA-N 435.638 2.368 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539223932 ACSYDQAILARHNT-IRFCIJBXSA-N 434.606 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OCC)c1 1539331052 HXCSXDPAOPNRMS-UHFFFAOYSA-N 435.528 2.319 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540161986 JNPWYEKHULEMCD-MRXNPFEDSA-N 445.545 2.134 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H](C)C2)C1 1540883282 XAIJPTHJNIVTRM-RBUKOAKNSA-N 439.564 2.439 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540886221 YHQBYVXVHPZAHF-PKOBYXMFSA-N 427.530 2.033 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1541605173 VQLYLVRAZOSDGJ-XMMPIXPASA-N 437.592 2.458 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541606274 JKBURXZEYMTGBS-HXUWFJFHSA-N 438.580 2.106 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1541804966 HEIQWKBBRUYHRG-CQSZACIVSA-N 430.463 2.060 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(CC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1542028207 UBGVMOCZAXPSRR-IBGZPJMESA-N 439.564 2.375 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1555519332 DCEVYMMKFDYGKR-OAQYLSRUSA-N 449.563 2.218 30 10 IEEE CS(=O)(=O)NCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(C#N)cc1 1555819388 OVTLKTJJKUAYND-UHFFFAOYSA-N 440.533 2.106 30 10 IEEE C=CC[C@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OCC 1556153702 GLZVQYZQILMEBG-INIZCTEOSA-N 431.493 2.034 30 10 IEEE C=CCOCCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1565082297 BOUTYDHFFDACNM-GOSISDBHSA-N 440.585 2.469 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(c2ccccc2C#N)CC1 1565166936 DHYZNSMOAVRJFQ-UHFFFAOYSA-N 431.496 2.465 30 10 IEEE COc1ccc(CCN(Cc2ccccc2)C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1584725089 ALIPSUBXYYGJSB-UHFFFAOYSA-N 432.480 2.491 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)C1 1587184876 CODQAIYTWUWWIW-JOCHJYFZSA-N 439.537 2.488 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCC1CCN(CC(F)(F)F)CC1 1588120067 DURPBZJTKDIRNV-UHFFFAOYSA-N 433.482 2.416 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1589068473 CAJFQJXYZPWHKF-GVDBMIGSSA-N 435.594 2.498 30 10 IEEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1593777654 AZCQQEKHMVDVTR-SFHVURJKSA-N 440.357 2.360 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595460923 IJNNUPCABDSUMV-RCCFBDPRSA-N 439.626 2.491 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1595544581 KPHGKWHBAYKUDH-ZWKOTPCHSA-N 446.596 2.201 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OC(F)F)c2)C1 1595745218 RKBOOZKARGDGCV-INIZCTEOSA-N 448.474 2.227 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1596787290 BHHIVAPACVSAQF-RLLQIKCJSA-N 447.377 2.467 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1596806042 CALFHFZXXRNWBN-WIYYLYMNSA-N 448.575 2.355 30 10 IEEE Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1596978283 LXPWKCUHFCOMFO-GOSISDBHSA-N 429.484 2.465 30 10 IEEE CCN(CC)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1615450307 MWVMPYFPNATQGM-UHFFFAOYSA-N 443.552 2.104 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)c(CCO)c2=O)n1 1616304721 WRNAQULGBFTJFG-LJQANCHMSA-N 448.527 2.399 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Oc3cc(C(N)=O)ccc3Br)CC2=O)cc1 1616484167 TVOHPNSKJRXJLO-CYBMUJFWSA-N 428.242 2.378 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1618008375 VBFHFHWFPZMQLR-AUSIDOKSSA-N 441.484 2.238 30 10 IEEE C[C@@H]1CCC[C@H](CCN(C)C)N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1618271607 QCSZMYGEPOUQEP-YVWKXTFCSA-N 425.533 2.485 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@H](C)CC2 1619912191 UZBJSEQSRFYEJG-GDBMZVCRSA-N 443.577 2.225 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](CN3CCN(c4ccc(C#N)nc4)CC3)C2)C1 1620559578 XDZQPGKSPPACBQ-REWPJTCUSA-N 427.549 2.491 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC[C@@H](N(C)C)C3)cn2)c1 1623383556 VIPODYTZTXKQJE-LJQANCHMSA-N 426.542 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)C1 1627632676 HJNOGVSRGOOUOT-IXVUQVCVSA-N 444.454 2.053 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C1CC1)[C@@H](CO)C1CC1 1637229584 GQNJZPBRJRUSCY-CMKODMSKSA-N 433.574 2.197 30 10 IEEE C=CCNC(=O)CNC(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1638879662 CMHDZTZIDGBJLC-HXOBKFHXSA-N 444.532 2.491 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)COC1 1640968720 GDOZDJXBJVXDJU-UHFFFAOYSA-N 437.537 2.047 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1643794271 ZMEGKQSYJJJBOE-ZDUSSCGKSA-N 435.916 2.057 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cc(C#N)c(F)cc2C)c1 1644880047 DSCVHCGQGOGJNC-UHFFFAOYSA-N 446.504 2.405 30 10 IEEE COC(=O)c1cnc(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)s1 1646007968 SZJRAKLNNPNLOA-UHFFFAOYSA-N 449.330 2.359 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CNS(=O)(=O)c1cccnc1C#N)C2 1663960449 FHOJMKQOPBAFGR-HNNXBMFYSA-N 436.534 2.038 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1 1665969023 IWMHAIPQCXBWKW-UHFFFAOYSA-N 441.575 2.068 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)cc1 1667322866 XIUYEXSECMTCQQ-LPHOPBHVSA-N 433.534 2.268 30 10 IEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1689933815 ACSBGUORMFVJDE-NRFANRHFSA-N 435.576 2.477 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cn(C2COC2)nn1 1689954204 PGELSJFQXUVIOQ-UHFFFAOYSA-N 446.284 2.127 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689988078 IRDGTOMCRMTNEM-SFHVURJKSA-N 432.521 2.368 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689996267 GEUPNRYRZHTZDR-LSTHTHJFSA-N 444.605 2.203 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689996701 MLROIXJKMJAFOP-PMACEKPBSA-N 442.589 2.123 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(F)ccc2OC)CC1 1690110288 FXQCYZLYIFBBCG-UHFFFAOYSA-N 442.539 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)CC1 1690236701 PWFZOVCWPBPVPX-AEFFLSMTSA-N 448.568 2.066 30 10 IEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690489893 HWAFAXWRTLPVQN-UHFFFAOYSA-N 433.578 2.338 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1690571645 FDVVAZXZQAYCMK-KRWDZBQOSA-N 444.536 2.294 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)cc1 1694517922 GEDKMXHQPZBJEI-VXKWHMMOSA-N 438.576 2.473 30 10 IEEE CC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CCN1CCOC 1694967612 RHKSEXXRVZIULH-IBGZPJMESA-N 435.532 2.324 30 10 IEEE CCCNC(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1695427742 FMZNNACNLYJRPR-OAQYLSRUSA-N 430.484 2.224 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1705495317 OFBXWUINOFPMRH-RCCFBDPRSA-N 433.553 2.471 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1CCC(OC)CC1 1705554551 YJJHNMDMBILJSA-UHFFFAOYSA-N 435.576 2.475 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705569562 HWDVJGQUEJVUBB-LJQANCHMSA-N 428.558 2.223 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1705590214 FMTHZYODCFOZFA-YKSBVNFPSA-N 436.560 2.241 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@H]1OC 1705603263 PYTSCIXSJIJJNT-IEBWSBKVSA-N 445.951 2.373 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705667711 QCFUSUCSUHAYIR-MHECFPHRSA-N 434.544 2.462 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(C)=O)nc2)CC1 1705761281 GYDMGEISXNODRO-UHFFFAOYSA-N 432.488 2.484 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1705794666 PXVMHMIOEUVKER-UHFFFAOYSA-N 428.581 2.452 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1705827443 FXVLTKRSFHFGMU-GOSISDBHSA-N 427.505 2.371 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1705867135 IFUWENBJSRTZBE-WTGUMLROSA-N 430.597 2.135 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1705929759 XBTHKOCUADKWHK-FDDCHVKYSA-N 443.548 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cn[nH]c2)C1 1706177330 ZYGFWKKMCGOJPX-VWKPWSFCSA-N 444.515 2.457 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCC(C)C)CCOC1 1710479586 IPIVXVAAQRYIQU-SIKLNZKXSA-N 448.637 2.496 30 10 IEEE COc1cccc(OCCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1711939634 NMFCJMHJBDRKSK-QFIPXVFZSA-N 442.495 2.320 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC(F)(F)F)nc2)CCO1 1712885884 BHXJMLSCJKUSCJ-HUUCEWRRSA-N 438.410 2.243 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722339071 QVYFLEZKUCZJOU-UHFFFAOYSA-N 427.553 2.276 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1722381343 ONRFSKCHZACVGC-VXKWHMMOSA-N 430.556 2.213 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@H](F)C2)CC1 1722453296 QWHCPBYUDIOASO-LEAZDLGRSA-N 447.555 2.106 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722509004 VNSRTEDYUXSEPR-IEBWSBKVSA-N 441.580 2.355 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1722509143 WNMIQVJHXXVFFJ-QUCCMNQESA-N 442.564 2.233 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1722584817 XYKPMGGDGRYOPF-KRWDZBQOSA-N 425.537 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722694026 IZIKDRZBEITOLD-ZDUSSCGKSA-N 426.443 2.222 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1722697802 PUAYUNQMDHORDL-OAQYLSRUSA-N 448.575 2.082 30 10 IEEE CC(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1723249441 HCMIBMNTASLAHD-XMSQKQJNSA-N 438.532 2.116 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1728328448 YBHWZVFYRPJASP-LZLYRXPVSA-N 433.509 2.273 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740578707 DUXSYQHLDVBJLP-UHFFFAOYSA-N 438.532 2.289 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1740621907 QCSCUVPCXSFYCL-INIZCTEOSA-N 444.948 2.007 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 1740763837 QNMBTXKGRQIEPW-NQIIRXRSSA-N 430.597 2.302 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740794318 WYCIQCHDXDUJBB-GOSISDBHSA-N 425.493 2.126 30 10 IEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)CC1 1740839537 KSHNXVXLFJRASZ-QGZVFWFLSA-N 448.568 2.077 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1740939457 BJWGEAUOAZMGHB-KRWDZBQOSA-N 442.486 2.186 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(C)C 1740958452 BATSOUOIKOBJNG-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1740959948 HSZRUZVRLWHECF-VAMGGRTRSA-N 430.597 2.175 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1740961299 SOQHHKNFXSTTGT-UHFFFAOYSA-N 426.565 2.252 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCOC 1740966318 XRBPHTAFSANQBX-INIZCTEOSA-N 436.557 2.125 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnccc2OC)C1 1740972587 KDDFEJGMOWKVNT-AVRDEDQJSA-N 429.521 2.163 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC)C1 1740982976 ZDJTXSBCHKWVAI-MSOLQXFVSA-N 432.546 2.018 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1741293245 CLXXNQMERJAURR-IBGZPJMESA-N 446.559 2.391 30 10 IEEE CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1746100227 WKLJUNFAXHXCSG-ZPHPHTNESA-N 425.449 2.226 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1748196378 IPMREJPOMUHQKV-QGZVFWFLSA-N 430.459 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1748898889 XIVMMOMMQJELMF-UHFFFAOYSA-N 439.585 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2csc(COC)n2)CC1 1749001245 NNIHZYLDQBWTDS-UHFFFAOYSA-N 430.578 2.193 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1749020117 MATMYIVMGVDRQZ-UHFFFAOYSA-N 449.584 2.079 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749083421 GXRMQMBMLBMUAZ-OAHLLOKOSA-N 439.402 2.445 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749181380 CRNRVZDZSIDEOF-HXUWFJFHSA-N 429.912 2.384 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749688959 ASFNOQCJJHFRDG-IBGZPJMESA-N 445.589 2.458 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749758387 QGDBWQHEKJZVEM-UHFFFAOYSA-N 446.596 2.137 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(F)(F)CO1 1749833008 ZGNCTBRDIZEMJP-OAHLLOKOSA-N 426.493 2.425 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1750076912 RREHCDQFWMBVHL-COPCDDAFSA-N 438.576 2.383 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1750378853 NWVDNNMNPMNEJE-LAUBAEHRSA-N 449.481 2.062 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760135377 TUINYVJDROCFOO-WMZHIEFXSA-N 449.603 2.441 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760190198 YSLRZFKLCWMZFT-QGZVFWFLSA-N 432.521 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1Cc1ccc(-n2cncn2)nc1 1760207512 MFJNFYGDGDPLDM-UHFFFAOYSA-N 438.495 2.262 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1760210628 RTNYFYUKEUVEOY-VGOFRKELSA-N 426.542 2.192 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1cccc(F)c1 1760248399 KMPLRDNDHNXUKJ-UHFFFAOYSA-N 441.463 2.310 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1760260356 PNGSIWOIFGHMFS-UYAOXDASSA-N 425.581 2.275 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncc(CC)s2)CC1 1760262897 GHFXPVYZLKPALI-UHFFFAOYSA-N 427.603 2.456 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760284941 VPFUPTCAYYYQRS-PKOBYXMFSA-N 427.549 2.431 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOCC)C1 1760313550 OISZLJVYOOJBEG-SLFFLAALSA-N 447.580 2.127 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C)n1CCS(=O)(=O)N1CCSCC1 1760485735 OOFGLKTUBZDIRV-UHFFFAOYSA-N 427.621 2.219 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760522630 XWAXOTXIPDKMKW-PMACEKPBSA-N 430.597 2.033 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OCCc2ccccc2)CC1 1760523332 UOSNEXQKASWNGQ-UHFFFAOYSA-N 447.543 2.265 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760677789 NBJSHYHRGVOYOK-HSZRJFAPSA-N 438.532 2.117 30 10 IEEE C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1762989801 SOYVJKUVOGQQMZ-ZNUSLJCYSA-N 428.537 2.181 30 10 IEEE CC[C@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1763373806 FHIIMQGCKDMXGS-XFQAVAEZSA-N 436.557 2.486 30 10 IEEE COc1ccc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1OC 1770071426 SIJXHXSLGNODGD-VZCXRCSSSA-N 438.488 2.089 30 10 IEEE C=CCC[C@H](C)C(=O)N1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1851927592 HAJIKGWFWZZDAH-INIZCTEOSA-N 429.542 2.182 30 10 IEEE Cc1c(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)nnn1-c1ccccc1 1852211740 LXHRPCIBSBWIRY-QFIPXVFZSA-N 447.495 2.384 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nc(C)c(CC=Cc4ccccc4)c(C)n3[nH]2)CC1=O 1852379498 ZFZKUMFHDDGIEJ-LJQANCHMSA-N 430.512 2.392 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)C[C@@H]2COc3ccccc3O2)cc1 1852771931 BRHNREGFVVLEBI-RTWAWAEBSA-N 438.480 2.411 30 10 IEEE Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1C 1854413911 JVNXRSABZJASKK-UHFFFAOYSA-N 431.558 2.463 30 10 IEEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cc1cccnc1Cl 1856891223 RUFFHJCBVUENLI-UHFFFAOYSA-N 446.916 2.318 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)[C@@H]2CCCO2)nc1C 1858727300 AXOPLXDEZSAHAX-AWEZNQCLSA-N 446.485 2.324 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 1862626165 WQAWGQWALRGOCO-LJQANCHMSA-N 426.400 2.269 30 10 IEEE Cc1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866869256 ZBOXEYYEMDXYJD-RTBURBONSA-N 426.542 2.449 30 10 IEEE N#Cc1c(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)sc2c1CCC2 1870104365 VELFIMHJWZOXKB-UHFFFAOYSA-N 449.471 2.236 30 10 IEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491639 JTBOMRQDXUVNPB-UHFFFAOYSA-N 437.939 2.135 30 10 IEEE C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2nc(O)oc2c1 1872597673 ZDZIHLHEYDDFJH-GOSISDBHSA-N 440.481 2.207 30 10 IEEE COc1ccc(N2CCN(CC(=O)[C@@H](C#N)c3nc(C)c(C(=O)N(C)C)s3)CC2)cc1 1872797783 VBANZJUZVOKERM-GOSISDBHSA-N 441.557 2.160 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1sccc1C 1874433049 ASTICHJSCWEULX-FBCYGCLPSA-N 435.560 2.354 30 10 IEEE N#CC1(c2ccc(C(=O)N3CCN(Cc4nnnn4-c4cccc(F)c4)CC3)cc2)CC1 1891361728 NXLKEQZOFOJGDG-UHFFFAOYSA-N 431.475 2.315 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895923 QKISRGLIYLPSRV-UHFFFAOYSA-N 427.257 2.479 30 10 IEEE C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2060726473 SXIZKGKMHJRUMK-FPOVZHCZSA-N 441.576 2.164 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060820343 FIILWHRNCLWLER-UXHICEINSA-N 438.532 2.082 30 10 IEEE COC[C@H](CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2085661732 SDYFGUJNGFGSAH-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1nc(O)nc(O)c1Br 2125880172 CYUIBWKMMQKFOQ-QMMMGPOBSA-N 430.259 2.176 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1CO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2218680390 ITKGYSRSBLSPPE-BBRMVZONSA-N 439.372 2.373 30 10 IEEE CC1(C)OB(c2ccc(N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)nc2)OC1(C)C 2224080357 OXGHALHWVPHNKI-QEJZJMRPSA-N 425.260 2.417 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247778039 WIPXCOBJWCFAFG-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247834999 DYHDIQZWQKLVTF-CYBMUJFWSA-N 437.371 2.475 30 10 IEEE C=C(CS(=O)(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247963402 WNIIXMXBFVQLJQ-UHFFFAOYSA-N 442.387 2.493 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C 2255838063 ZOIGNRGHESQCHO-CQSZACIVSA-N 436.362 2.187 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)ns2)OC1(C)C 2258235522 HBINTVLQOZQQGH-LLVKDONJSA-N 447.288 2.116 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267135803 GONTYWTVMVGPOL-GJZGRUSLSA-N 448.373 2.426 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267183643 HJBAAJMXGZIZLT-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2267187161 UDTVSFQMRBLCPY-CVEARBPZSA-N 448.325 2.039 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267491659 GWZRKETZLULEMH-CVEARBPZSA-N 448.373 2.237 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2267495256 ZFCGCAZLAYCXHF-GOEBONIOSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267531751 UXKWTELITKUVOI-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)o1 2267597230 UCSYNBMTZXQJRF-UHFFFAOYSA-N 445.285 2.041 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2267813754 VBNLLBCLYOTSAK-UHFFFAOYSA-N 448.325 2.088 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268640512 XJNWJHNXMSTJHF-RHSMWYFYSA-N 447.341 2.249 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271384333 DUDCUAGRPFQDTH-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278703312 DLBVXNANOLKHJT-SFHVURJKSA-N 448.369 2.186 30 10 IEEE C#CCN(C1CCCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286056922 JXQGVJJFPLJAIW-LJQANCHMSA-N 436.530 2.052 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(F)cc2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296930532 PTWBOWCHRFVEOJ-SFHVURJKSA-N 430.388 2.165 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2300305225 TUDFSFAQBFELMI-PIIMJCKOSA-N 425.363 2.303 30 10 IEEE CC#CCN(CC(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300539110 LOURCCLTPBYCIT-GVDBMIGSSA-N 439.553 2.027 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303167493 PQGXEPFZVKJACC-KGLIPLIRSA-N 426.319 2.138 30 10 IEEE COc1nc(N(C)C[C@@H](O)COCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2317502624 CXPLPWATNRVUJV-GOSISDBHSA-N 428.338 2.403 30 10 IEEE COc1nc(N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786563 NEZUAJFEGQMNBN-JSGCOSHPSA-N 443.275 2.283 30 10 IEEE CCCCCCCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC)cc1 100154171 GUZHYZYLNIRNNK-SFHVURJKSA-N 449.573 2.414 30 10 IEEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)c1 100488779 HADGZAKNKJHDMS-SADKCHQCSA-N 437.496 2.234 30 10 IEEE Cc1cc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1C(=O)N(C)C 446195602 DJSGRPXNIXKQIV-UHFFFAOYSA-N 449.511 2.408 30 10 IEEE CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(F)cccc2CC)c1=O 478747954 QHGKCKASPBHLBA-UHFFFAOYSA-N 445.585 2.100 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 479909735 DIBKRJDDOVOTEY-DENIHFKCSA-N 434.544 2.329 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1C#N 489120124 SOJMFPWNBKQIEK-UHFFFAOYSA-N 430.799 2.455 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2csc(CNC(=O)c3ccccc3)n2)cc1C#N 489515179 BGYFFSVSRKYKQS-UHFFFAOYSA-N 427.511 2.127 30 10 IEEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccn3)c2=O)c1 523255049 CVINXGQUWXDSGI-UHFFFAOYSA-N 447.516 2.183 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 544882656 UKDBEWUFPADFJY-YLEKAMJDSA-N 426.517 2.457 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CCC(=O)N2C)cc1 545463104 LHHABELULVEQRU-NZQKXSOJSA-N 433.512 2.220 30 10 IEEE N#CCCn1ncc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1-c1ccccc1 549522137 TYCXIVZPLQSANI-UHFFFAOYSA-N 427.530 2.104 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]2C(=O)Nc2nccs2)CC1 561228061 MWTZYWFECMMOLJ-HOTGVXAUSA-N 444.586 2.017 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3CCc3ccccc3)CC2)nc1 563228330 WVEHLXIBVCCBCP-NRFANRHFSA-N 445.527 2.202 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cc1 568284102 ROTAEZYWTYUFEW-HNNXBMFYSA-N 430.534 2.277 30 10 IEEE N#C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCN1C1CC1 732696925 SIJRAWHNKGPULO-GOSISDBHSA-N 444.561 2.141 30 10 IEEE CC(C)CN(C(=O)CON=Cc1c(Cl)nc2ccccn12)[C@H]1CCS(=O)(=O)C1 736610976 TYMWABMBAJNSQM-AWEZNQCLSA-N 426.926 2.010 30 10 IEEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C#N 746867410 HKZQPQAUIVAKFA-UHFFFAOYSA-N 449.916 2.171 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 749530476 NBTJYSXHPFCKMY-UHFFFAOYSA-N 430.505 2.151 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757898234 NNLVCKJNOIRLRQ-JCVNQNCUSA-N 435.502 2.006 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 758224792 XFQUBBLROGFUOR-PMACEKPBSA-N 448.608 2.134 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)ccc1Cl 760401115 RZQKSUGBEQZXLU-UHFFFAOYSA-N 447.966 2.124 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(OC)c(CO)c1 763033838 VZQSYYGSXXOUSJ-KRWDZBQOSA-N 431.514 2.424 30 10 IEEE C#CCN(C(=O)Cc1ccc(OCCOc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 765664247 CLOLAZVNILJGDA-HXUWFJFHSA-N 427.522 2.336 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 767954803 OVYFYLGDEZZQRO-UHFFFAOYSA-N 425.466 2.052 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769636506 AICSUCJTCXFBFM-UHFFFAOYSA-N 426.586 2.469 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)C1 774241551 WDBMFAHKRSLQER-UHFFFAOYSA-N 425.482 2.069 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2c[nH]cc2-c2cnn(C)c2)c1 778516211 RAJUFZBQWNMPEB-CLCOLTQESA-N 426.502 2.480 30 10 IEEE CS(=O)(=O)c1cccc([C@H](NCCN/C(O)=C2/N=CC=CC2=O)c2ccc(F)cc2)c1 779103144 FRAGYSILNCDXGB-VWKSNAFDSA-N 443.500 2.435 30 10 IEEE CCOC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2ccnn2-c2ccccc2)NC(=S)N1 790342557 PMXOBWXMLKNLGZ-SFHVURJKSA-N 433.493 2.486 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nc(Br)cs2)c1 792532185 OFRAHBDIIYZORA-UHFFFAOYSA-N 434.315 2.393 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(C)CC2)cn1 794448085 DSBWJWPVCDBHMT-INIZCTEOSA-N 433.578 2.280 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cncc3ccccc23)c1=O 794582077 XNPUSMGPKFRESA-QGZVFWFLSA-N 433.533 2.367 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC2(S(C)(=O)=O)CCCC2)C1=O 795179152 XHPDOKPCPGJCFY-OAHLLOKOSA-N 441.550 2.251 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(C)(C)C(F)(F)F)C1=O 800803059 MOJMQLIDZWPNPN-GFCCVEGCSA-N 430.452 2.442 30 10 IEEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C#N)c(Cl)c2)n1 807938145 VXGSUNPCPFQVSJ-INIZCTEOSA-N 443.920 2.141 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)c1 1084633976 HMGFWTUFVLUVGN-UHFFFAOYSA-N 427.490 2.191 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-n2ccccc2=O)cc1F 1147098434 WMIHWZMRQGUAEN-AWEZNQCLSA-N 440.456 2.154 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1152128872 PJVFUHPCCTXJJN-UHFFFAOYSA-N 440.456 2.342 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1192633960 BJKVIXIMKRZMDV-HZSPNIEDSA-N 442.504 2.490 30 10 IEEE C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCN(C(=O)CC#N)CC1 1194456558 GIPGOISLBBITER-HNNXBMFYSA-N 425.514 2.385 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(F)cn1 1286280380 YQSNNLNEESIYQE-OAHLLOKOSA-N 442.520 2.236 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1286291729 YCGORXVJJIRDHL-OAHLLOKOSA-N 434.500 2.214 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1286369346 MWNMCEDEWLYVAI-SFHVURJKSA-N 433.560 2.476 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1C(F)(F)F 1286407576 MYOKMJVAACRORW-KRWDZBQOSA-N 431.418 2.378 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)NC(=O)OC(C)(C)C 1286414761 AUJCVAKNLVUSHF-ROUUACIJSA-N 445.564 2.378 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1286437332 DUNGUINBKJUXAY-VFNWGFHPSA-N 448.614 2.141 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)c(OC)c2)CC1 1286469980 PVEQGKCOFBFSKF-UHFFFAOYSA-N 445.527 2.046 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286500343 RCMPQCMHEVFHPY-AWEZNQCLSA-N 449.378 2.213 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)COC)CC1 1286505965 OKHURXNEYGWUKH-UHFFFAOYSA-N 441.601 2.275 30 10 IEEE C=CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F)C1CC1 1286736544 DQTPSVVKUCBXRJ-UHFFFAOYSA-N 433.438 2.350 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286798262 FBLSCMLOORWCBS-PKOBYXMFSA-N 425.533 2.487 30 10 IEEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1287620829 DDVVPMKZZWGMGU-UHFFFAOYSA-N 448.531 2.362 30 10 IEEE C[C@@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1N1CCN(C)CC1 1295071617 GJRUUSXXUYHVOC-CTNGQTDRSA-N 432.609 2.121 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296129596 AUVWHXNOZZZZBB-XMSQKQJNSA-N 426.544 2.117 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1296872011 IRZBYSDLNIXSPC-JKSBSHDWSA-N 445.495 2.238 30 10 IEEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1298344865 YEUGVAFPTOEGOP-PGRDOPGGSA-N 426.496 2.273 30 10 IEEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1300137584 BUTIASWWWOVONM-QFIPXVFZSA-N 442.495 2.216 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488674 GBBITUMOHZAGOP-YZGWKJHDSA-N 428.558 2.244 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300490695 BRUAYWNZYDEKTQ-LJQANCHMSA-N 444.605 2.006 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1300498939 OGNJRNBPWOTHRV-GOSISDBHSA-N 436.578 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C 1300528389 VRWUHGNOHIENQS-DEOSSOPVSA-N 432.528 2.155 30 10 IEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1(O)CCN(C(C)C)CC1 1300545352 NXIRSACCUIJFMC-UHFFFAOYSA-N 435.572 2.208 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1300766265 YEMFTVAHJPMCMX-UHFFFAOYSA-N 447.992 2.359 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1300876260 RSGVTDPCMXQLMQ-XLIONFOSSA-N 446.596 2.283 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1300970666 ZVEANMMJWQRVHU-XXBNENTESA-N 446.596 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc2ccccc2[nH]1 1301579570 WGDIZECEBZEFJN-UHFFFAOYSA-N 439.545 2.397 30 10 IEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 1301663667 CKXZTXOUOXFZKE-UHFFFAOYSA-N 449.559 2.167 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CCOC)CC1=O 1301884433 BZJKIELKTYQJEI-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1304902452 BDTFHDSFZLOVSP-ZDUSSCGKSA-N 426.431 2.124 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1310371178 IAOCGAPCYALVEC-UHFFFAOYSA-N 434.493 2.085 30 10 IEEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1314670659 NAOGHCQXKLSAFH-QFIPXVFZSA-N 447.543 2.368 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)C[C@H]1OC 1316329739 FESLLABRBATUDB-NRSPTQNISA-N 441.532 2.110 30 10 IEEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1358909120 VBTPREXEBYVBPM-KRWDZBQOSA-N 446.349 2.462 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@](C)(O)CCOC 1358947438 BYLBNSJMUIVWQX-JOCHJYFZSA-N 435.569 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1358982722 IGTPXXMUCCUZTB-UHFFFAOYSA-N 439.825 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCC(=O)N1CCCCC1 1358983938 BKGCXIFDQMWQIM-UHFFFAOYSA-N 426.565 2.062 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCO[C@H](C)C1 1359026648 GLHRUDYLFXOTSW-SJORKVTESA-N 431.562 2.171 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1359031749 OCVICIGNZCEEIJ-UHFFFAOYSA-N 449.559 2.062 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1359045750 RRZWIZJBCYLDBH-XMMPIXPASA-N 441.551 2.489 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(C)(=O)=O 1359065390 PLPRYMNPZXFMBP-JOCHJYFZSA-N 438.557 2.343 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1359137072 DFWBCBJKPGUIAL-UHFFFAOYSA-N 437.548 2.079 30 10 IEEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359180670 NVBMKWDWHCDEIR-JOCHJYFZSA-N 430.574 2.015 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359213528 YGLVDFCGIYUISC-HNNXBMFYSA-N 429.550 2.490 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359216218 RMGCIHUACATEPA-HRAATJIYSA-N 434.537 2.383 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359222686 OYOPSQRROCRWPL-UONOGXRCSA-N 439.504 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359297531 TURSBTBQNRFAST-INIZCTEOSA-N 443.895 2.170 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1359299125 WABMMMMQPBWKMS-UHFFFAOYSA-N 441.532 2.089 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCSC(C)(C)C1 1359304684 GFHYVSLHRXAUQW-UHFFFAOYSA-N 431.562 2.500 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)C1 1359339724 PBJBTGCXLOMGSZ-UHFFFAOYSA-N 426.550 2.455 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359341882 JQRSTLNWCFABIZ-HUUCEWRRSA-N 447.565 2.233 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359342877 GRUGYNMZVVCRSG-IXDOHACOSA-N 427.640 2.018 30 10 IEEE C#CCN(C(=O)[C@]1(F)CCS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1435176723 XANFGLUJLKONNW-PBHICJAKSA-N 430.295 2.261 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C)C(=O)OC 1451176304 AZXFELJVNIQONM-HOCLYGCPSA-N 432.473 2.051 30 10 IEEE C#CC[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)OC 1451177354 DHYOWPHUFBXASM-SJORKVTESA-N 446.504 2.036 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1ccc(C#N)cc1Br 1460449960 JQKHROLYLUZWHT-IBGZPJMESA-N 440.338 2.409 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CC2=O)cc1Cl 1471525339 HVJQECFBIUVWOI-JOYOIKCWSA-N 425.741 2.239 30 10 IEEE C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@H]1CNC(=O)OC(C)(C)C 1472187703 LJAXMDAIAYPQRU-APWZRJJASA-N 449.573 2.482 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618691 DFERUUPWYQNKLJ-FVQHAEBGSA-N 429.473 2.003 30 10 IEEE C#CCN(C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)[C@H]1CCS(=O)(=O)C1 1477092534 OCRLQXZPYHZFTG-KRWDZBQOSA-N 427.482 2.232 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)C(C)C 1496933487 QRRSRMQAOMGNBC-JOCHJYFZSA-N 431.585 2.489 30 10 IEEE COc1ccc(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1504219985 FUPATIDSMDISRG-YLJYHZDGSA-N 438.532 2.130 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1504804730 UMZWWOLFIZRPEM-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1507538479 MQQABJMSLLMTBH-QXAKKESOSA-N 446.596 2.385 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCc2cccs2)CC1 1507593370 NQNMEEKMLHTSDJ-UHFFFAOYSA-N 426.590 2.240 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1507610034 DEUKBOWBFSMSJP-QGZVFWFLSA-N 432.569 2.377 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1507630693 FTSLEGJWAGGQJI-NSHGMRRFSA-N 445.589 2.351 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1507637630 LPSSZQOGRRRJLN-GUDVDZBRSA-N 446.573 2.465 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2nc(C)no2)CC1 1507727128 NULQTCAUAQRVAP-UHFFFAOYSA-N 435.532 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2CCN(C(C)=O)CC2)CC1 1507735342 SVUDUTCKZMSDDB-UHFFFAOYSA-N 448.571 2.169 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1507883842 ALVGABHAABPRSP-INIZCTEOSA-N 437.591 2.287 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1507935470 QEYPATKVMCLNCQ-YLJYHZDGSA-N 436.582 2.097 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCC(N)=O)CC1 1507942808 XGCFFXYDQYNLOQ-UHFFFAOYSA-N 427.505 2.153 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507971621 PAIIYFQOSASNQV-FQEVSTJZSA-N 426.565 2.420 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1508018047 ZZWBVWIFZYOSRZ-RTWAWAEBSA-N 436.560 2.309 30 10 IEEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cnn1CC(C)C 1510507042 FOAJUEBACMYNJG-SFHVURJKSA-N 445.593 2.129 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCOC1 1517042734 NWCSOHFXNJHPQC-RTBURBONSA-N 446.502 2.398 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1519078765 WCMXYHJEWWEWPK-FQEVSTJZSA-N 437.504 2.077 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 1529366180 FQZPQBGCLKCAMT-ZWKOTPCHSA-N 446.573 2.120 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1531945418 IZPJHVGWFNXTDM-KRWDZBQOSA-N 438.546 2.498 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCNS(C)(=O)=O 1538972434 ICLTYOJVGOBIDX-ZDUSSCGKSA-N 440.367 2.105 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccsc1 1538992786 YJZLNAAHOHVRSI-BTYIYWSLSA-N 434.529 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCOCC1 1538993146 FQKUEQZRYHVWCK-GOSISDBHSA-N 425.533 2.287 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2cccs2)CC1 1539084964 GJUDAULLKAJAIW-UHFFFAOYSA-N 426.590 2.354 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1539153602 GHBWPIHPAJERDC-QFIPXVFZSA-N 433.553 2.399 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1539219947 OQSGUWOBQMFFTE-KGYLXKDPSA-N 448.633 2.435 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539220973 MTDQDCRHSIBVDR-KURKYZTESA-N 438.619 2.432 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C)cc(C)c1 1539417209 ZBLXYLMDTCSPSD-FQEVSTJZSA-N 430.574 2.126 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539526655 OMRCFRIQAXINGH-QAPCUYQASA-N 445.520 2.297 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 1539548652 MOIHNNQKGYYFNH-IRLDBZIGSA-N 447.457 2.404 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)o1 1539574893 SZEQVLAFGWMEMA-LBPRGKRZSA-N 432.344 2.335 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 1539642333 QAHFHUVABAIPPY-HRAATJIYSA-N 429.496 2.304 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539820373 MWTRAULPQDZFRO-CDXJDZJCSA-N 439.988 2.228 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539823390 BMKLLJGAACWEGC-XHSDSOJGSA-N 427.933 2.470 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCCO)CC1 1539884273 HVKUFTXVJLDQAW-UHFFFAOYSA-N 448.593 2.040 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1540072308 KNAXOSLXCDNLCY-OALUTQOASA-N 448.593 2.068 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc4c(cc3C#N)C[C@@H](C)CC4)C2=O)cc1 1540206357 ZSSZQZSWYWRCFM-BSEYFRJRSA-N 447.495 2.492 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1540876509 UAIXXDCBMPWGRN-SFHVURJKSA-N 436.560 2.107 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnccc2OC)C1 1540882922 QOIMEECOTAFEAQ-KRWDZBQOSA-N 435.488 2.159 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCSCCCO 1544582427 MHYMSVFXZVNSTQ-INIZCTEOSA-N 442.593 2.038 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1554165079 HXVRHDFBUOSKED-ABDBUPHLSA-N 447.499 2.164 30 10 IEEE C[C@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 1558686394 QUWSSCXQQBMEIN-VQTJNVASSA-N 436.350 2.121 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 1584981539 PKXPWJKQGKBTLX-INIZCTEOSA-N 430.977 2.081 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1586184546 GPQOSSJRXSAIGY-QGZVFWFLSA-N 426.517 2.499 30 10 IEEE C=CCOCCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1586439100 JFKAFNOUFUFADJ-NRFANRHFSA-N 428.526 2.043 30 10 IEEE N#Cc1cccc(C2(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCOCC2)c1 1586553723 MJWYGYXEXFCKJP-UHFFFAOYSA-N 436.424 2.014 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)nn1 1587956313 NWELVTZJAABWDB-UHFFFAOYSA-N 439.520 2.027 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1588229639 ZYFQAHBPSPUJKI-ZEQRLZLVSA-N 447.583 2.250 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc(C)s1 1588281101 YGAYZXUFHGUHHJ-UHFFFAOYSA-N 430.559 2.211 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCN1CCC(O)CC1 1588550462 SDWXINOHZXXLOY-FQEVSTJZSA-N 441.551 2.408 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCOC(C)(C)C1 1588659244 GCTBTKTXZJWDOL-UHFFFAOYSA-N 429.540 2.205 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1588659644 MIJYQZYDRAIPRP-NRFANRHFSA-N 444.539 2.403 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCSC1 1588672733 GTHRYJSLCNBSKF-QFIPXVFZSA-N 425.558 2.304 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1588876693 FRLYCLOVEPUGIM-GOSISDBHSA-N 432.569 2.142 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1593826226 IYVYTBLZOUADQZ-NSHDSACASA-N 427.734 2.466 30 10 IEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1)c1ccccc1 1594534492 LJPJQLAPDGQHAP-WMZOPIPTSA-N 433.578 2.473 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1594760525 KOIBJUYCSMVMLL-OAHLLOKOSA-N 437.591 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595523111 PUIBQWUTIINBPD-OPAMFIHVSA-N 429.496 2.161 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)OC)c2)C1 1595665623 YJRRLBHLXNBUHN-SFHVURJKSA-N 442.520 2.424 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H]1CC 1595812548 XWISYSOMMUEEQX-GOSISDBHSA-N 428.562 2.496 30 10 IEEE C=CCSCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1595905048 BKTGGVHFPZPQTJ-IOMROCGXSA-N 438.594 2.234 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1598195100 GYVMHPVCSNOZAS-UXHICEINSA-N 435.525 2.198 30 10 IEEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1622295523 WFVUFKRQHWSETD-HNNXBMFYSA-N 433.350 2.018 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1 1623010507 BGQIBXQAWOPDGJ-QFBILLFUSA-N 431.470 2.293 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1623628778 GELVGMZLRATTJW-XVLXNVKGSA-N 436.597 2.436 30 10 IEEE C[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1625622272 FJTQSDSMTVWWRG-SPYBWZPUSA-N 447.557 2.427 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)n[nH]2)c1C 1626212085 IDXZNRZUVCRHBM-UHFFFAOYSA-N 430.553 2.422 30 10 IEEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2cccc(C#CCO)c2)CC1 1626695769 HFFBUWUGZLHYLT-UHFFFAOYSA-N 441.572 2.038 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O 1627960714 XMLVEUSJMFYTSO-RBUKOAKNSA-N 429.517 2.219 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)C1 1638397443 IEETZRWVOQVUNX-PBHICJAKSA-N 426.330 2.136 30 10 IEEE COc1ccc(-c2noc(Cn3cc(C#N)c(I)n3)n2)c(OC)c1 1641226360 YWYBCRJMTWSPBP-UHFFFAOYSA-N 437.197 2.475 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(COCCO)cc3)CC2)cc1 1643256724 WCCGGOTZISKSCH-UHFFFAOYSA-N 443.525 2.107 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 1644587465 MAUYIDPNCFUHOF-OALUTQOASA-N 427.505 2.392 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(Cl)cc1C 1653704202 XSFWEKYCXAVIDZ-NSHDSACASA-N 440.768 2.222 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)[C@@H](C(N)=O)c1cccc(Br)c1 1653945400 YHIFNKWNACBYLP-GOSISDBHSA-N 440.297 2.207 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N(C)CCN(C)c3ccc(S(N)(=O)=O)cc3)cc21 1675098321 GWMBCZKNVKOXSW-UHFFFAOYSA-N 442.545 2.470 30 10 IEEE C#CCN(C(=O)NC1CCN(c2cccnn2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1681361311 UEGWWFRCECOECO-UHFFFAOYSA-N 442.564 2.490 30 10 IEEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1689916640 QESRQTZXDSNMPT-UHFFFAOYSA-N 426.952 2.413 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnn(CC)c2)CC1 1690131933 AXFUJGHUXZMRNO-UHFFFAOYSA-N 433.560 2.494 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690308262 HRKPZNOQUUFASL-QFIPXVFZSA-N 425.537 2.362 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1)c1ccccc1 1690322449 FZHUWWGQDQMBNR-LEWJYISDSA-N 438.576 2.490 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)CC1 1690397063 UPHPECWXXUUYPR-ZDUSSCGKSA-N 447.590 2.344 30 10 IEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690469320 LPYWTBDVSUSVDX-WFXMLNOXSA-N 438.594 2.373 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1690676730 BPBKJNOFKJMPHC-QGZVFWFLSA-N 429.496 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1Cc2ccccc2[C@H]1C 1690729336 MEOVTUKTAPSINS-MRXNPFEDSA-N 429.546 2.083 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CC2)c1 1693036022 HRNLOUQHPLUMGS-BJLXPSRBSA-N 429.546 2.114 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1696496696 JCPBBGOBRIWEFO-INIZCTEOSA-N 443.577 2.362 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1696808572 SVTLUXVUVHSHKE-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE COc1ccc(CCc2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1697396508 JXKMKJBWYPMING-DQRAZIAOSA-N 436.516 2.197 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1698304122 JXVRSPKUQLPDLL-LJQANCHMSA-N 443.573 2.383 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1705504985 FVEZJQIWZCMVBS-WBVHZDCISA-N 430.553 2.334 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705520417 STRXSYMDSZCPER-NRFANRHFSA-N 425.581 2.102 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCNC(=O)OC(C)(C)C 1705550184 TWFHXEVJTDCOPY-UHFFFAOYSA-N 430.509 2.380 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1705565057 SAMNWRBVIBWYQT-JXFKEZNVSA-N 431.587 2.253 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567487 XAJHHAQVUNIFJG-LEWJYISDSA-N 442.585 2.432 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705570150 NHRXEXNDRYTMSB-LJQANCHMSA-N 434.512 2.378 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1705643130 SWXOCBCCBUKUNK-DVECYGJZSA-N 439.560 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)CCCS2)CC1 1705647254 BJKQWZGVTAOHEN-GCJKJVERSA-N 431.606 2.424 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705655012 ASCNWMBTEMPSPA-OAQYLSRUSA-N 429.546 2.030 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@]1(OC)CCOC1 1705868556 SEUVEPPKKLFQFA-NRFANRHFSA-N 431.562 2.460 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1705915012 RPXDMQLXIJXKHJ-HSALFYBXSA-N 430.597 2.416 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708603280 BTPVUSALWRNYIU-SFHVURJKSA-N 448.579 2.002 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1709657704 NCLHYZUBTHLSTB-UHFFFAOYSA-N 441.536 2.062 30 10 IEEE CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1709849268 BSYIHYQBUOEVIT-UHFFFAOYSA-N 447.543 2.092 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@H]1CCSC1 1711044666 GDGWVFRMKAALPK-AWEZNQCLSA-N 436.488 2.052 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C(C)(C)C 1711578858 DBPGQCBGQNEGDX-WMZOPIPTSA-N 426.521 2.101 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccncc1 1722376564 SSXHMDWZNVOOME-UHFFFAOYSA-N 447.568 2.257 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSc2ccccc21 1722382013 DAHDUWZQWPDBJE-IRXDYDNUSA-N 426.567 2.143 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@@H]1C 1722418717 ZUCRWLZMTRMPNR-SFHVURJKSA-N 437.523 2.178 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(C)(=O)=O)CC1 1722434280 ONWCGSQNDWUTKS-UHFFFAOYSA-N 447.630 2.075 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1722465416 LUZSBNGHZDOBFL-GOSISDBHSA-N 441.557 2.427 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722486675 AVABNXNIOCOZKM-HNNXBMFYSA-N 446.415 2.247 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722613551 INGRSBVMIIKQPU-RXVVDRJESA-N 425.581 2.239 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1722650934 AMBZTWZZBJCOOO-UHFFFAOYSA-N 430.553 2.422 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1722715451 NSJIZSAZOCTUJZ-ICSRJNTNSA-N 441.557 2.423 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1723771184 DSTDUYMMCFBISJ-QGZVFWFLSA-N 442.593 2.238 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1723790717 OXUAYBYGVYVFMY-VSZNYVQBSA-N 436.582 2.072 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccccc1OCCOC 1727569093 PLLBDJWKUBBOCK-UHFFFAOYSA-N 434.500 2.449 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccc(F)cc2)CCOC1 1728816177 HOCRPPXWBGTOQV-KNQAVFIVSA-N 445.495 2.267 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1729935817 HOQLGKSGPDHWQF-UHFFFAOYSA-N 426.521 2.116 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1740663484 KGOOUCAENABOEA-HSZRJFAPSA-N 425.533 2.120 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCSCC1 1740677593 XREHUZUKEPTIFZ-LJQANCHMSA-N 442.564 2.057 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1740681949 GRVLWRXQCFVMKY-QFIPXVFZSA-N 436.560 2.260 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740691784 DCHNKGIYQSZAAJ-UUOWRZLLSA-N 439.560 2.269 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1740774260 PFYSNCZKVUASFQ-LJQANCHMSA-N 445.589 2.289 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1740785836 FFEMXJCOMSAAJC-ROUUACIJSA-N 432.569 2.447 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740848296 HJRDVWYTYAGFOC-IRXDYDNUSA-N 425.599 2.245 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1740918905 RHLVWWYBWVJHPD-HXUWFJFHSA-N 432.528 2.477 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740962158 UWISEPRECVRDKD-INIZCTEOSA-N 438.454 2.114 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740962688 LNSROVFGYOEQIQ-OAQYLSRUSA-N 448.575 2.415 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1742249074 NZLPKMXGXKTKQO-HSZRJFAPSA-N 435.532 2.366 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)C1 1742935392 BDOPPRWZGIPZKA-SVMVAKDDSA-N 431.560 2.324 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1748846158 DRPCAKOMZADIGE-GOSISDBHSA-N 437.548 2.247 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1748978324 KDHUEJAWMROGSC-NVXWUHKLSA-N 447.381 2.342 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)NCC)c2)CC1 1748993554 BUYABWREMYSPKC-UHFFFAOYSA-N 448.596 2.484 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749587104 IEQONXQFHNUGEY-NRFANRHFSA-N 446.529 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749658804 PMZIRJDGFLUAPQ-GOSISDBHSA-N 438.536 2.274 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1749670606 UKKRMPLYEZALTB-HBUWYVDXSA-N 428.364 2.494 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749714212 AVYMOBJEXYAJRQ-PXNSSMCTSA-N 440.548 2.221 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1760098469 SRJXDEOMUOZKHH-BRWVUGGUSA-N 449.552 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1760115666 BIYJXNSCVQIFPK-CMKODMSKSA-N 429.590 2.159 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760168733 NOFINYPTSBOGNA-PMACEKPBSA-N 438.557 2.090 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191336 FRPKYZYXWQEENI-YSIASYRMSA-N 434.606 2.310 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COCc1ccccc1 1760205538 DGJSCAXNWOXVSS-TZIWHRDSSA-N 440.569 2.106 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1760387580 PXHYMAZUGWUMGU-CVEARBPZSA-N 442.486 2.039 30 10 IEEE CCc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)cc1 1762556992 MTOBUHDPUVUTLZ-UHFFFAOYSA-N 434.500 2.315 30 10 IEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1764541687 NZAXRSQBKDLCFJ-FCHUYYIVSA-N 426.496 2.340 30 10 IEEE CCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765449812 HNHMPRZJJAEOOJ-CVDCTZTESA-N 439.564 2.316 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCCCN1CCC[C@H]1CO 1767062478 UZLJIEKOKDCTGO-NRFANRHFSA-N 446.559 2.480 30 10 IEEE Cn1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)n1 1767480620 HAYZZSQKNIZLSV-QGZVFWFLSA-N 433.289 2.454 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCC(F)F 1767496290 OEMPPVVPFQQDPW-UHFFFAOYSA-N 442.474 2.159 30 10 IEEE CN(C)C(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1768423928 FMSZXRVOFJGAHO-KKSFZXQISA-N 427.553 2.008 30 10 IEEE CN(CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1768884251 XWVDWZAVUFXFKD-HXUWFJFHSA-N 437.548 2.046 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)COC)CC1 1769150378 FXODSGHULYZDNF-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C 1769302110 FGDAOWZDNRSQGL-UHFFFAOYSA-N 441.536 2.304 30 10 IEEE CSCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771487259 XEFHFBUNEVGKLL-NVXWUHKLSA-N 428.566 2.259 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1772564303 RTWACGAHNUZQBW-BDXSIMOUSA-N 433.553 2.429 30 10 IEEE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(N)=S)CCC3)cc1OC 1772750147 KMRCYZXBEGOMGB-UHFFFAOYSA-N 430.530 2.451 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)ON2C(=O)c3ccccc3C2=O)c1C 1772792245 IWZASUMSBMIXEO-UHFFFAOYSA-N 430.482 2.343 30 10 IEEE Cc1nn(C[C@H](C)C(=O)N=C2NS(=O)(=O)c3ccccc32)c(C)c1Br 1851091484 BYNLUTSTTRNWLF-VIFPVBQESA-N 425.308 2.164 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSc3nccc(=O)n3C2)c(I)c1 1851343722 DNKTWQZZZCJAHR-JTQLQIEISA-N 438.250 2.080 30 10 IEEE Cc1cc(F)ccc1NC(=O)CCC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851599902 YOVFSGUQISFMPG-UHFFFAOYSA-N 439.491 2.485 30 10 IEEE N#Cc1cnn(-c2cccc(Cl)n2)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1852069219 RLXIVIQHSKDQGX-HOTGVXAUSA-N 440.891 2.172 30 10 IEEE CN(C)C(=O)[C@H]1C[C@H](OC(=O)c2nc(C3CC3)ccc2C#N)CN1C(=O)OC(C)(C)C 1852340369 BDRXVPBJUJFYLF-DOTOQJQBSA-N 428.489 2.454 30 10 IEEE Cc1nc2ccccc2n1CCC(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1852460630 PUNCWUYVWLOYSC-UHFFFAOYSA-N 428.500 2.264 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)ccc21 1853186253 ZEHPCHQWQCDOHN-HNNXBMFYSA-N 435.546 2.234 30 10 IEEE COc1c(F)c(F)cc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1F 1854048150 HNPVFKFARXUGTK-LLVKDONJSA-N 442.371 2.146 30 10 IEEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2nc(-c3cccc(OCCC)c3)[nH]c2c1 1860954948 JZSDDSOVHQJWSJ-FQEVSTJZSA-N 449.511 2.295 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1861599898 NEZRSTVNRVKSOS-FSSWDIPSSA-N 443.588 2.474 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862609670 SAODUOCMSOHYHC-CWTRNNRKSA-N 440.408 2.325 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866595733 YZYQJURQKHNDCU-LJQANCHMSA-N 436.493 2.252 30 10 IEEE COc1ccc(OC)c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c1 1874435073 LOSGAIMFOQKYDU-LSFURLLWSA-N 449.533 2.105 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(O)C1 1879110224 WFSFEPJXJIYWAU-UHFFFAOYSA-N 446.353 2.020 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCCC5)CC2)cc1 1892116966 OKHQYTISBWZFCE-SFHVURJKSA-N 435.553 2.379 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1999430180 KNYKKBHXFPGIKR-RCCFBDPRSA-N 438.569 2.439 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060639088 DUFCKIFCQCJUGU-VVLHAWIVSA-N 435.374 2.088 30 10 IEEE CC[C@H](C#N)N1CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2060826079 PQLAIXFLGNHGPM-RTWAWAEBSA-N 443.592 2.458 30 10 IEEE COc1cc(NS(=O)(=O)N2CC(C#N)C2)c(Br)cc1Br 2164594017 CXACFSJRBHWGMO-UHFFFAOYSA-N 425.102 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2255703724 XBTISAJBRKAYCK-AWEZNQCLSA-N 431.298 2.164 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](O)C1 2256896395 PBSMOUMLISIPSV-HZPDHXFCSA-N 437.321 2.302 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267137916 UOXUDOBSIBHAAI-APWZRJJASA-N 438.381 2.421 30 10 IEEE CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267176837 GCGJRTQJMLHPAA-IBGZPJMESA-N 438.381 2.456 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267179139 LZSLXWKGMCCLEY-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267179761 UTVVGQDCCVRVOU-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2267182470 GYRKSFPHZSCDCZ-CABCVRRESA-N 448.373 2.143 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCC3CN(Cc4ccccc4)C3)c(O)cc2O)OC1(C)C 2267812990 JVTVOXJPWIQGDQ-UHFFFAOYSA-N 438.333 2.259 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)O1 2268636375 CGJXHMCZKRINES-GJZGRUSLSA-N 447.341 2.392 30 10 IEEE N#C[C@@H]1CN(C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)CCN1Cc1ccccc1 2268742942 QZIPNZJNFZZETR-JOCHJYFZSA-N 448.523 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@H](O)[C@H](N)C#Cc2cccc(Br)c2)C1 2278729362 CBUKRIDCYPLBDC-IXDOHACOSA-N 425.323 2.125 30 10 IEEE CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1F 2282835221 QTWVEDHNAPITJJ-WDEREUQCSA-N 425.740 2.058 30 10 IEEE Cc1cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc(C)c1C#N 2286030179 XSTBQDHZBMBXGO-GOSISDBHSA-N 431.470 2.296 30 10 IEEE CC#CCN(CC(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300541833 JTKIDSOPMMAGFA-QFIPXVFZSA-N 439.553 2.125 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2334264864 VGKVSYWZRUTQKV-KYJSFNMBSA-N 443.353 2.366 30 10 IEEE C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925067 SLCBFOBMCZLTOM-CQSZACIVSA-N 434.468 2.170 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 46841392 IPCRBMREADRJAZ-HZPDHXFCSA-N 447.543 2.475 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccccc1 102487721 KQHUKPXKCHZRFF-LCPUNJGISA-N 437.452 2.349 30 10 IEEE CCCCCCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 248243256 FUPPILVVFYZJQK-JHGBEIFQSA-N 449.552 2.297 30 10 IEEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2nc3ccccc3s2)C1=O 254398795 QIXAHCGRIZKPTF-UHFFFAOYSA-N 425.455 2.463 30 10 IEEE Cc1nsc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N 439289530 MHFBYVMEBCOERF-UHFFFAOYSA-N 448.526 2.134 30 10 IEEE Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n(C)n1 445247172 HWLHZQCQEJIHAH-QUCCMNQESA-N 435.532 2.064 30 10 IEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 464478068 UCCVDBCBHPVARW-HNNXBMFYSA-N 438.303 2.400 30 10 IEEE COCCN1CCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1=O 469696326 TUVJFUCPIUCFHO-UHFFFAOYSA-N 449.555 2.347 30 10 IEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 480113797 XJQWTMQTYVJYPL-UHFFFAOYSA-N 449.554 2.114 30 10 IEEE CCOC(=O)CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 484167647 BGHLOHMPMNUGIC-QGZVFWFLSA-N 428.489 2.344 30 10 IEEE N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 502326629 QMFRBFJVHWITMK-GOSISDBHSA-N 425.537 2.374 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCCCN2CCOCC2)CC1 518615127 ANHDOIPTWOJTJO-UHFFFAOYSA-N 427.505 2.251 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)OCCO2 522674066 ORQDQYNUDMWMTM-UHFFFAOYSA-N 434.473 2.135 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 523652446 XQQMMPPQIRSYAY-MRXNPFEDSA-N 430.476 2.239 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(Cc4ccc(OC)cc4)C3=O)cc2C1=O 523724275 VWSFCXMYGIVDNQ-FQEVSTJZSA-N 433.464 2.008 30 10 IEEE N#Cc1c(NC(=O)CCN2CCCN(S(=O)(=O)C3CC3)CC2)sc2c1CCCC2 549076719 MIFVEJBEJOWDPJ-UHFFFAOYSA-N 436.603 2.327 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 609168850 LBUFVFFGBXKMCC-QGZVFWFLSA-N 439.888 2.341 30 10 IEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)C)C[C@H]2C)CC1 619850334 FZUJOQAXAOJOHW-GCJKJVERSA-N 435.576 2.462 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@H]1CCOC1 676726429 CCYKNECOVCCLDH-QGZVFWFLSA-N 445.544 2.367 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3ccccc3C#N)c2=O)cn1 735068749 KIIQPZHRGPTVJX-UHFFFAOYSA-N 445.548 2.495 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(C#N)cc1 740199905 CJXWYSXFYCTCRS-IBGZPJMESA-N 428.466 2.342 30 10 IEEE C[C@@H]1CCN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccccc2S1 741340570 FKKXBINCAJDIFZ-JTKIUVGSSA-N 429.498 2.364 30 10 IEEE Cc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OCC1CCOCC1 741402460 CBTQKLOYNJZJCJ-MRCUWXFGSA-N 428.489 2.448 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 742502420 IIYTWGGYLUBKGP-UHFFFAOYSA-N 429.274 2.256 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 745397794 RJQGDOHRLOUCNS-QGZVFWFLSA-N 435.546 2.118 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCCc1nc(-c2cccs2)no1 749275168 VCMDFZXXNUXMIE-UHFFFAOYSA-N 432.483 2.124 30 10 IEEE C[C@H](C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 752615496 QBWRHLSSAMUKEB-GUYCJALGSA-N 447.538 2.322 30 10 IEEE Cc1sc2ncn(CCC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(=O)c2c1C 757595019 ODINEWCALCHXQH-HUUCEWRRSA-N 445.545 2.340 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C)c2)C1 760300145 BAOSUKIRESWTMP-MSOLQXFVSA-N 443.573 2.399 30 10 IEEE COC(=O)[C@H](OC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 767546249 ROCFASHEOLTECC-HSZRJFAPSA-N 435.480 2.445 30 10 IEEE N#C[C@@H]1CN(C(=O)CCOc2cccc(I)c2)CCN1C1CC1 783441524 QFJCLGDYOWRJLG-OAHLLOKOSA-N 425.270 2.259 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 787058168 IDHZCZCLJBUXQY-UKRRQHHQSA-N 442.378 2.251 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccnc(N3CCN(C)CC3)c2)C1=O 793988056 XCYUDALGVKXFAH-QFIPXVFZSA-N 430.553 2.149 30 10 IEEE CCOC(=O)c1cnn(C2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)c1C 804959825 IOIKVISGAORWBP-UHFFFAOYSA-N 425.493 2.094 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cnn(C)n2)cn1 807935686 HDPVJOPEELBDEG-KRWDZBQOSA-N 438.517 2.192 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC1 812416974 JLALMSAERQKFNX-ROUUACIJSA-N 446.552 2.363 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(F)cc3F)n[nH]2)cn1 1084334363 PKSWQTRTYVCFPL-UHFFFAOYSA-N 436.448 2.103 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n[nH]2)cn1 1084601948 IGLQSQSENNGLBX-UHFFFAOYSA-N 440.489 2.151 30 10 IEEE Cc1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1S(C)(=O)=O 1129896758 GAAWHOHFEIPHJY-QGZVFWFLSA-N 440.481 2.114 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)c1C 1134267710 DZKDJIKGWKXVML-QFIPXVFZSA-N 433.574 2.462 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)C(=O)OC(C)(C)C 1136720875 GCSZSDVMZHQVIV-AWEZNQCLSA-N 439.509 2.452 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(Br)cc(N)c3N)C2=O)cc1 1138181607 XLCRNMQLCFMWQM-MRXNPFEDSA-N 428.290 2.411 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)C1=O 1139676780 IOBUOJRRTIFAOU-GOSISDBHSA-N 444.941 2.454 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cc(N2CCOCC2)ccc1Br 1140711518 RCBYFHFPXVKPOP-VHEBQXMUSA-N 449.305 2.141 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)c1 1208442150 CNQFDFHTDKXJKB-UHFFFAOYSA-N 437.424 2.094 30 10 IEEE C#CCN(C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)C1CCN(C)CC1 1221515766 UGHFHMAFACPKDO-UHFFFAOYSA-N 446.617 2.188 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 1253866630 CHDVBJTWXJXDOM-VWLOTQADSA-N 433.556 2.463 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286388055 XFMDITMRKHMPJI-QGZVFWFLSA-N 427.555 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1286480927 RCCDZRJBRNVOMO-INIZCTEOSA-N 435.450 2.326 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286833798 OYNMAYMLHASOAZ-QGZVFWFLSA-N 428.562 2.011 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C#N)o2)CC1 1286864628 SNMXJGSOSBPRIH-UHFFFAOYSA-N 435.444 2.425 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)[C@H](C)C1 1286882587 HXRMWSBQEAKQGC-LJQANCHMSA-N 449.559 2.048 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298535467 FNPHADHCUXCJIB-BKBKCADHSA-N 436.516 2.477 30 10 IEEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)Cc1ccc(Br)cc1C#N 1299928514 DNXWXPAYJJRVAH-LJQANCHMSA-N 425.290 2.494 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2c(F)cccc2Cl)C1 1300337232 IBANJELSYMRHAF-OAHLLOKOSA-N 437.880 2.118 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC(F)F)c1 1300506541 UMEHDWUHAGQDDD-UHFFFAOYSA-N 431.443 2.147 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1cccc(C)c1 1300663764 IJXZRHLEWXDIKB-UHFFFAOYSA-N 437.500 2.479 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)CC1 1300709024 ZXPGNAIDMSOBSQ-UHFFFAOYSA-N 447.568 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCOC(C)C)CC1 1300716822 RTTOKCBNIOCILC-UHFFFAOYSA-N 425.533 2.345 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1300761694 DPWQYPMMMKMDPL-MRXNPFEDSA-N 447.634 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC1 1300789246 CPFDBAYEOMDTHE-VGOFRKELSA-N 443.573 2.224 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1301050793 DROREGUMNIOTLF-INIZCTEOSA-N 445.959 2.467 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301173194 CWRIPUWKIQQWDL-GOSISDBHSA-N 436.520 2.384 30 10 IEEE C=CCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301474321 ZFHXLHSNOPAWEU-JOCHJYFZSA-N 429.496 2.497 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(Cc3csc(CC)n3)CC2)nnc1C(C)(C)C 1301519233 NTHZXTRHAIHYEA-UHFFFAOYSA-N 431.610 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCOC2(CCC2)C1 1301586508 GZTDTUFVPFSFCT-UHFFFAOYSA-N 434.537 2.368 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1303329384 BRZVGOGMKOYTDZ-CVDCTZTESA-N 438.532 2.262 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CCC2)CCOC1 1303489136 HYTSHBCPOWAIQX-URAOTHONSA-N 435.594 2.360 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccccc3SCc3cscn3)C2)c(=O)nc1O 1305589596 JPHFPRBDEBFWSK-UHFFFAOYSA-N 425.495 2.266 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1306534676 GYBLEDGAPGFMTM-YADHBBJMSA-N 439.495 2.185 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(Br)cc1 1312127274 GQFBYUJSCNPNPJ-HOTGVXAUSA-N 430.306 2.270 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1315229614 UENCIVPUXGCBSV-AUSIDOKSSA-N 438.532 2.259 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC[C@@H]1C 1315719882 RNSYICRMQKZXPF-YJBOKZPZSA-N 429.546 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1358871135 AGMALHSRRFZUAD-HOTGVXAUSA-N 448.568 2.134 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F 1358992354 JKLDVOKQKMYBNE-INIZCTEOSA-N 446.433 2.077 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1C 1359024009 COIDPSRJCXCSJU-QGZVFWFLSA-N 442.541 2.369 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359062899 XPGNJRYFCSDKCK-HOJAQTOUSA-N 444.605 2.171 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1359095067 JQLJQFPXTCQTTC-UTKZUKDTSA-N 443.523 2.360 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1359114998 HMKSIMNUPSYYDM-QGZVFWFLSA-N 438.623 2.460 30 10 IEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1359247087 RWWUTMFLBHKMIW-OAQYLSRUSA-N 438.594 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1359294603 YORWUOXEPSYPQH-GOSISDBHSA-N 440.504 2.408 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359301728 JFTZKRWPEQUEJH-GOSISDBHSA-N 444.967 2.177 30 10 IEEE C=CC1(CC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1454012200 MOXKLYRKDAPISM-UHFFFAOYSA-N 446.523 2.386 30 10 IEEE C=CCCC[C@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OC 1455831789 FJWMEBCEHGYYBF-AWEZNQCLSA-N 444.269 2.035 30 10 IEEE COc1cc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)ccc1C#N 1478592868 MADYWJKPHPUETI-YOEHRIQHSA-N 431.436 2.218 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1479436668 CZSNXCIWZRCGKU-DOTOQJQBSA-N 443.552 2.214 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1494642446 GDLMRUBMXDKOKP-SGTLLEGYSA-N 435.326 2.316 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1507535571 ZJRIPLRXXSBVKL-MRXNPFEDSA-N 447.543 2.049 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1507541044 FJHOBXAQUXEJRA-IBGZPJMESA-N 425.533 2.181 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCC[C@H](O)C2)c1 1507552868 VCIOLIUHSFGVGX-ICSRJNTNSA-N 425.533 2.422 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507626547 ASNYWCCVXIEWDJ-TZIWHRDSSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1507635902 WDNCRSZKXLBIFQ-DLBZAZTESA-N 436.628 2.453 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1507636590 BBRKFHCVNUEPIQ-GOSISDBHSA-N 436.965 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1507646903 ZPRGRKCGPKPLSW-UHFFFAOYSA-N 433.537 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCNC(=O)OC(C)(C)C 1507655580 LLYSGAUSBYJISD-UHFFFAOYSA-N 439.516 2.463 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1507733209 PXRPIGCWCMHDDH-NRFANRHFSA-N 447.992 2.130 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099420 WVGKMVUHBKPYAM-SPYBWZPUSA-N 445.486 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1508135163 FCMLOMUHSZJPIV-NVXWUHKLSA-N 448.545 2.278 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1Cc1cccs1 1508140745 JSHBFFDKFDXBKW-RDJZCZTQSA-N 449.602 2.103 30 10 IEEE C#Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)c1 1529449592 YURAKOKOFNNEHD-UHFFFAOYSA-N 442.541 2.404 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc1ccccc1)C2 1530868478 RLMSKHVCMJKWBQ-HSZRJFAPSA-N 446.551 2.411 30 10 IEEE C=CCCn1cc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)nn1 1533624451 CGMGDZKBCFYPAA-UHFFFAOYSA-N 432.531 2.480 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(F)ccc12 1539265314 FJZJOVCJKKBJCZ-KRWDZBQOSA-N 439.516 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1539324398 UDOOKSKWOZXRAW-IBGZPJMESA-N 437.519 2.269 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCSCc2ccccc2F)CC1 1539427973 KYKHQZPPDSCXTR-UHFFFAOYSA-N 444.580 2.244 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1539443957 CGHJMUHORLQGDW-UHFFFAOYSA-N 441.580 2.296 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(F)(F)Br)CC1 1539453346 IERJYAGNLJABQL-UHFFFAOYSA-N 425.281 2.007 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1539751807 VADCFJSWALGCAE-YPAWHYETSA-N 446.640 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1540864877 NXTOZPNNLCREPH-OAHLLOKOSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C(=O)OC)C1 1540864976 QPXLXBXRGWGBEA-HUUCEWRRSA-N 443.573 2.433 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCS(=O)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1540878648 DBFHBRJKTITUGT-JOCHJYFZSA-N 446.573 2.112 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCCCC2)C1 1540895010 JMPDCTIKBWLDQG-IBGZPJMESA-N 430.597 2.446 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCO[C@H](C)C2)CCOC1 1541104678 ASHPNQMWFFRHPP-TXTKFYIRSA-N 448.612 2.415 30 10 IEEE CC(C)OCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1541749108 FHWKXTZWYIWUKO-SFHVURJKSA-N 447.561 2.283 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2nccn2C1 1541805977 BCDGAWYOZDJLHG-CVEARBPZSA-N 438.561 2.467 30 10 IEEE Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543200946 ZNFCHMDANOTSEZ-ZZEZOPTASA-N 440.529 2.274 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1548005823 UBJZTDNFSDZZMG-HOTGVXAUSA-N 449.458 2.409 30 10 IEEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552422388 KUJKQUDQCFNAMI-JGCGQSQUSA-N 447.524 2.120 30 10 IEEE CO[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C 1554644493 HTDCPDCOUWXGGB-LJQANCHMSA-N 447.547 2.389 30 10 IEEE C=CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1556204803 CZYHJIGXQVWTBT-FQEVSTJZSA-N 430.526 2.066 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)c2cccc(Br)c2)c1 1556318935 COFGVAGEJXXJTN-MRXNPFEDSA-N 441.278 2.349 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 1556453615 FKYNAXMYZZSZBC-BZUAXINKSA-N 449.882 2.272 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3O)CC1 1585533928 GDEZFHZKTRQQLV-OALUTQOASA-N 444.333 2.495 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc(Br)cn1 1587662727 QPWCLVHWKKQLAM-AWEZNQCLSA-N 431.342 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccncc2Cl)CC1 1588913280 GBEZXROQCAURKI-UHFFFAOYSA-N 435.919 2.403 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589515658 QRWMCWDJLDQUSF-LNLFQRSKSA-N 448.593 2.020 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)C(C)C 1595171854 ZXIZCNJUIQMBHN-XRXFAXGQSA-N 442.608 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595522708 IVIKNALGCKSDNP-UHFFFAOYSA-N 437.548 2.014 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C)(COC)CC1 1595555571 CSNRAHIEDBYQBX-UHFFFAOYSA-N 427.549 2.433 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1596322171 HPOGYFJBBMURAM-UHFFFAOYSA-N 442.541 2.459 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1596702585 DRJRSNMAEOVXID-UHFFFAOYSA-N 426.912 2.366 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1596822053 HEIHVFVZVNBPPY-QFBILLFUSA-N 431.562 2.361 30 10 IEEE O=C([C@H]1CCCN(C(=O)Cc2ccccc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648913 NSHYYQRPYDCYJV-IBGZPJMESA-N 449.507 2.372 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)c1 1612247704 BSSSNDFZTFDUDC-FQEVSTJZSA-N 433.516 2.404 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1614239865 NEZOBAJJUSARQS-NRASPWIFSA-N 446.577 2.378 30 10 IEEE C[C@H](C(=O)N(C)CCC#N)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@H]2[C@@H]1O 1616134278 LASZHOMWXMJRPL-SYPUJPNYSA-N 441.576 2.406 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCSC2)CCO1 1620354279 BAOLSOIHBDVKFX-BEFAXECRSA-N 437.472 2.143 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC[C@H](N(C)C)C3)cn2)c1 1623383555 VIPODYTZTXKQJE-IBGZPJMESA-N 426.542 2.271 30 10 IEEE CC(C)(C)OC(=O)N1CC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1627775596 APZOKACOKTUQJM-UHFFFAOYSA-N 435.322 2.492 30 10 IEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 1632565279 HBXYMTPQBVYEBJ-UHFFFAOYSA-N 425.470 2.011 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)CC1 1633103314 AMMBQERGUOCEQF-DLBZAZTESA-N 440.363 2.125 30 10 IEEE C=C(C)C[C@@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OCC 1636838282 TXFWPFXUKXQEAN-CQSZACIVSA-N 444.269 2.035 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3c[nH]cc(I)c3=O)cc2C1=O 1638467336 YWIIGWMGBRUASS-UHFFFAOYSA-N 449.204 2.014 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)OC(C)(C)C)CC2CC2)s1 1640823239 HUEGYXRDSDHALJ-UHFFFAOYSA-N 428.576 2.335 30 10 IEEE C=C1CN(C(=O)[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)CC)C1 1641274576 ZYNXRANTWWEVHR-SUMWQHHRSA-N 427.954 2.133 30 10 IEEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1644078723 UVEUOCCDJLAVAQ-KSSFIOAISA-N 437.880 2.422 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c1 1644493053 XICGHJLHAMDAQM-HSZRJFAPSA-N 442.516 2.028 30 10 IEEE Cc1c(C(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)cnn1CCC#N 1646578671 CCIQNXZRUCXNPH-INIZCTEOSA-N 425.493 2.123 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CN1CCN(C(=O)OCc3ccccc3)CC1)C2 1648293369 AFWIBLJNGNFVRD-UHFFFAOYSA-N 439.541 2.041 30 10 IEEE O[C@H](CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1(O)CCOCC1 1655766537 DKTQEURGJNTSCC-GARJFASQSA-N 427.332 2.382 30 10 IEEE Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1667138191 HSONNVNOIAZSHY-UHFFFAOYSA-N 435.488 2.434 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1OC 1668882076 HCDOWHQZLVBFSM-UTKZUKDTSA-N 435.546 2.486 30 10 IEEE C#C[C@@H](NC(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1)c1ccc(Br)cc1 1683507980 KWLNGXRWWYMEEL-HUUCEWRRSA-N 432.278 2.158 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[C@H]3Cc3ccccc3)CC2)cc1 1685764699 VMTUYTPBOCUFPL-NHCUHLMSSA-N 438.553 2.453 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1(N2CCOCC2)CCCCC1 1689827160 AUSWFIUKGCWLQP-UXHICEINSA-N 433.597 2.495 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1689838200 UZIWAPCXUWZFCG-WFASDCNBSA-N 445.321 2.154 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690308303 JKYMUOCORCOARC-OAHLLOKOSA-N 427.475 2.344 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690340497 UGNWITLYLYQJSC-MRXNPFEDSA-N 425.942 2.123 30 10 IEEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)N2CCOCC2)CC1 1690380959 XCKUJPVGCYSYJP-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C)C1CC1 1690537930 XTPSKPCDKUKFQB-SJORKVTESA-N 444.605 2.494 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690655358 QKBAKVPCIIGOLI-UNMCSNQZSA-N 439.560 2.388 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690667873 LCOQDSVHQGEARB-ROUUACIJSA-N 441.580 2.107 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690668128 UEBMXHGYZFUXKP-UHFFFAOYSA-N 433.560 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 1690705471 DCEDGLTZMNJDQN-LJQANCHMSA-N 445.589 2.403 30 10 IEEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690734217 YUCBPSYCEAJGQQ-CRAIPNDOSA-N 449.552 2.428 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1691010350 FWUZSBCRUAQLIC-GVDBMIGSSA-N 432.569 2.075 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2ccc(F)cc2F)CC1 1692542879 HYBXIZDGUDWMOU-OAHLLOKOSA-N 430.459 2.155 30 10 IEEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c(C)o1 1692958572 IFRHZGZBOZZYJO-OWDMVUQNSA-N 435.550 2.036 30 10 IEEE Cc1nnc(N2Cc3cccc(Br)c3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693482168 AITVJKGXVAZCJS-ZCXUNETKSA-N 443.305 2.396 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705564076 KUWBORCRTJPEAQ-MRXNPFEDSA-N 444.586 2.032 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705568815 VORKYIAKCSSKJX-KRWDZBQOSA-N 432.521 2.423 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705569827 KKMNZSBFHNXGAD-FQEVSTJZSA-N 439.516 2.078 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@@H]1OC 1705603264 PYTSCIXSJIJJNT-MJGOQNOKSA-N 445.951 2.373 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1705626415 VQUZKTCADOJEJL-FQEVSTJZSA-N 448.449 2.215 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC(=O)N(C)C)CC1 1705633771 YHXUIXYLWRFQDL-GOSISDBHSA-N 442.539 2.181 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2nc3cccc(Cl)c3n2C)CC1 1705642765 GUENUQFZIMQFSS-UHFFFAOYSA-N 427.940 2.158 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(N3CCSCC3)CCCCC2)CC1 1705645128 LNBFOSKUAZNKRJ-UHFFFAOYSA-N 444.649 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2c(F)cccc2F)CC1 1705647521 FZHQRQGRRCBDNK-QGZVFWFLSA-N 443.498 2.269 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCOC[C@H]1CCOC1 1705669441 MWLNPJQKIHBSKR-PTUXOGIPSA-N 432.565 2.366 30 10 IEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1705852226 XFISTWZFUFGDFT-JOCHJYFZSA-N 426.521 2.487 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705906219 XCTHERIFJDRKGZ-QFIPXVFZSA-N 441.532 2.470 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(c2cnn(C)c2)CC1 1705907439 MUZAPUAMFUCBQY-UHFFFAOYSA-N 449.559 2.319 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705940013 SLCOOCUKDXEEFY-CVEARBPZSA-N 441.561 2.092 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1706220074 OSUONLZARQXEGY-FQEVSTJZSA-N 449.559 2.084 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1706744484 MZTSSPSELCUUNF-VWKPWSFCSA-N 425.493 2.002 30 10 IEEE CCN(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N)C1CC1 1710153305 BPJTVJPKFBCLEV-MRXNPFEDSA-N 434.548 2.272 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)C[C@H]1OC 1712682017 SKUJIPYQWGAUDT-OYRHEFFESA-N 441.532 2.252 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1712884471 MQEPZHCOHIUTKQ-AWEZNQCLSA-N 430.394 2.120 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 1722333743 ZCMZCPWNCNOVKG-AWEZNQCLSA-N 427.368 2.473 30 10 IEEE C#CCN(c1nnc(COCC)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722371398 WASKISRHJIXEDO-XBMUEBEBSA-N 438.594 2.037 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722374594 YANLKMMWQMMBSY-JPYJTQIMSA-N 445.564 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1722443855 CJGCFYZNVAQYSM-RTWAWAEBSA-N 448.571 2.064 30 10 IEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722563991 FFCITEJCNOLGCG-RXVVDRJESA-N 438.594 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722752163 XDJSZDMXXAILAI-ZWKOTPCHSA-N 447.605 2.473 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1723769687 MZOQYTXNCCGATI-QAPCUYQASA-N 446.939 2.405 30 10 IEEE C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1723867382 SSNXDPYJJUBWNL-OXJNMPFZSA-N 427.528 2.417 30 10 IEEE CCc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cs1 1727474734 AKPBNNNJLZRMBG-AWEZNQCLSA-N 443.558 2.066 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc2c(c1)OCCO2 1730844666 SSVPXVHKYCOTRQ-KSFYIVLOSA-N 445.495 2.458 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740598157 GPWAICBTOHGRDQ-IKGGRYGDSA-N 429.487 2.488 30 10 IEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1740609245 HWANFJTVPRKYDA-VQTJNVASSA-N 443.573 2.040 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740616481 BPWZFNOTFKKTDM-WOJBJXKFSA-N 447.580 2.470 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740617262 OPSGOWXMRQLQNN-LEWJYISDSA-N 427.574 2.050 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1740663049 WUYCBGAUZQMOPT-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)C(C)(C)C 1740682574 AIWZNPOTZRDUAO-UHFFFAOYSA-N 434.562 2.253 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)C(C)(C)C)CC1 1740699470 IKNPSHPTYXBTOQ-UHFFFAOYSA-N 438.576 2.083 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(CC)s2)CC1 1740706061 QUFRAHKBVWJZPS-QGZVFWFLSA-N 427.574 2.420 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740720957 SCRNMUUCKZMJCI-DLBZAZTESA-N 430.603 2.248 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1740846741 KCAUIIKWPMTYKV-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740873708 FEWCXWIEENAIGO-SFHVURJKSA-N 425.493 2.430 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740939461 BJWGEAUOAZMGHB-QGZVFWFLSA-N 442.486 2.186 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1 1740962956 URYTWXRGZTZFFY-FQEVSTJZSA-N 439.560 2.455 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cc(C)cn2)C1 1740983645 MSRSZKHSWRILTR-QGZVFWFLSA-N 441.561 2.256 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCOCC2)C1 1740986193 XLHHFEXCJLSARD-HXUWFJFHSA-N 444.532 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1O 1740992259 CWMTWCQLPZUOMJ-UHFFFAOYSA-N 427.530 2.207 30 10 IEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1741283503 SBXBDSIMXAKDJQ-AZUAARDMSA-N 449.559 2.084 30 10 IEEE CC(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741690537 JXWYVJDZWHFUOK-SFHVURJKSA-N 427.578 2.022 30 10 IEEE CCc1nnc(N(C)Cc2ccc(Br)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1744544814 GGUOMPHUSRTNIS-MSUUIHNZSA-N 449.309 2.359 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)C[C@H]1C 1746446207 MQLIKBHJQKOEHY-LJQANCHMSA-N 425.581 2.315 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1748150935 WIGKVOGNXMULPI-FQEVSTJZSA-N 425.518 2.109 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1748737104 XGCLWXRTPXDUBL-INIZCTEOSA-N 435.525 2.052 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOCC1(C)C 1748840985 OMHZMOIZPIOROK-UHFFFAOYSA-N 443.555 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCOCC1 1748891374 UDDAZUSVHATKFY-UHFFFAOYSA-N 449.555 2.292 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1(O)CC(OCC)C1 1748943841 DTNFXZDKFSQHCO-UHFFFAOYSA-N 436.491 2.444 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749115693 UVMJFINSXDNYIK-FHWLQOOXSA-N 446.596 2.139 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749231497 SIXPIXFAVPFDFZ-UHFFFAOYSA-N 432.613 2.204 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749285786 XEEVIMMSPZIZMA-HOTGVXAUSA-N 440.976 2.385 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CO)CC1 1749454470 HOIUVFFAZJBOLU-UHFFFAOYSA-N 448.593 2.040 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC 1749750256 ZXESBNHPZMQFOJ-HNNXBMFYSA-N 431.562 2.454 30 10 IEEE COCCN1C[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@@H](C)C#N)CC1=O 1749865297 WAAGAYDLTILNNP-HOTGVXAUSA-N 446.502 2.238 30 10 IEEE CC(C)OCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1751047122 HDJXNODESBCTGF-LJQANCHMSA-N 425.537 2.190 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1760111467 NAPKAOURWGNWHQ-QAPCUYQASA-N 447.543 2.048 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1760233629 ZLTLWRWZPMRKKX-GOSISDBHSA-N 433.560 2.383 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)cccc1OC 1760243761 RUBRKMUJXJRRGJ-UHFFFAOYSA-N 431.924 2.310 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1760293359 SVJWGSAENMINRZ-JOCHJYFZSA-N 436.541 2.373 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1760354466 BNMFAQOGHMTVIP-UHFFFAOYSA-N 438.536 2.381 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1761542078 BNDSUQBQASUZGM-FQEVSTJZSA-N 432.525 2.250 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1762063035 BTVDSSUCWWDNAK-YRISNDGFSA-N 431.562 2.108 30 10 IEEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cn1 1772880000 LSZPMFOTHZTWFU-INIZCTEOSA-N 434.504 2.358 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(COc3ncccc3C#N)CC2)cc1 1849621196 SWHGCBMRSTZZOE-UHFFFAOYSA-N 428.514 2.135 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1ccccc1C(=O)N1CCN(C)CC1 1851632486 HJUWAZJRVDJDRK-OAHLLOKOSA-N 440.935 2.322 30 10 IEEE C[C@@H](OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1851793782 WJKBHSWZHAWDMV-QAPCUYQASA-N 446.504 2.421 30 10 IEEE CCCN(C(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852091782 OAMNSICVKYXQKC-INIZCTEOSA-N 432.546 2.412 30 10 IEEE Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1c(-c3ccccc3)cnc3c(C#N)cnn13)CC2 1852412050 RCSDALGRMQKHOZ-OAHLLOKOSA-N 425.452 2.105 30 10 IEEE Cn1ccsc1=NC(=O)[C@H]1C[C@@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1852773656 PYFNOSASUNTVIJ-RYUDHWBXSA-N 446.330 2.159 30 10 IEEE COc1ccc(NC(=O)[C@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 1853360295 DPHNVBHOUSYXQJ-DLBZAZTESA-N 428.489 2.221 30 10 IEEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2)CC1 1855906363 OFLMHTJUWSGDMZ-IRXDYDNUSA-N 428.920 2.304 30 10 IEEE N#CCCN1CCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)C(=O)C12CCCC2 1856631455 RZMDSTJHALYYSI-UHFFFAOYSA-N 431.558 2.279 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(C)nn1C 1857024291 RRHVIRYSXYEQLU-INIZCTEOSA-N 428.514 2.187 30 10 IEEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861175683 NLYQXXPHNUDZRG-NRFANRHFSA-N 442.604 2.249 30 10 IEEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1867428167 XYGAIAANOPIHPV-FOIQADDNSA-N 432.480 2.499 30 10 IEEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870809596 LDFMTGOUQGJXPX-UHFFFAOYSA-N 426.498 2.116 30 10 IEEE C=CCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCN(c3ccccn3)CC2)n1 1871627671 YJCQKIPJQBERAT-UHFFFAOYSA-N 428.504 2.233 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)cc1OC 1874238152 UEFCNPMAKCPQSU-SSDVNMTOSA-N 427.486 2.051 30 10 IEEE COc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)cc1OC 1874567930 YQZHCYGQIOLPGD-YBFXNURJSA-N 434.499 2.304 30 10 IEEE Cc1c(I)cc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCNCC1 1887521410 KRBWYQYMBGNOPO-UHFFFAOYSA-N 442.150 2.304 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)C3(c4ccccc4OC)CC3)CC2)CC1 1890199769 PYPLQPODOIAANG-UHFFFAOYSA-N 439.600 2.375 30 10 IEEE COCC1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CN(C(=O)OC(C)(C)C)C1 2060638428 WURQHDZYNRVRJX-HUUCEWRRSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2124540432 HIVBMZPXVKDWDK-RNJGOJFXSA-N 448.369 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOC1 2128729565 DYOFIIMEZPIQRZ-QHCPKHFHSA-N 446.353 2.286 30 10 IEEE CCOC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CN(C(=O)OC(C)(C)C)C1 2141667485 JOWBOSJZZBOEEW-UHFFFAOYSA-N 447.341 2.345 30 10 IEEE C=C[C@@]1(O)CCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 2195063135 GFXPGINMSPNXKE-GFCCVEGCSA-N 426.130 2.105 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]21 2247839952 FRPDLQCSHLZMTP-JYAVWHMHSA-N 435.355 2.037 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2255540738 RBKOLRYGDRYNPR-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE C=CCC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255629730 AEVCNGCOKZWOOX-UHFFFAOYSA-N 432.330 2.004 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255814825 DXXVGVSSVCYFCV-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)CN2CC(NC(=O)OC(C)(C)C)C2)C1 2256621186 RIPSCCFSVXLCGV-UHFFFAOYSA-N 435.374 2.376 30 10 IEEE C#CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2256635634 KTSXFYBRHGYRKM-UHFFFAOYSA-N 433.289 2.329 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256924921 PDCGXOASPXRUHV-HNNXBMFYSA-N 446.334 2.232 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929915 XLNBLEOHLNDELV-KRWDZBQOSA-N 444.362 2.362 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267011421 FKFANMXCAUMAGJ-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 2267185654 YIMKMPOVJJTSMA-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)OC1(C)C 2267193619 IHIBDRXQAVWWSL-KOSHJBKYSA-N 436.365 2.303 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267265364 FCZPRLATWFCBAK-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267274110 VTEQVTJLBHWPMW-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267280039 MXGZBIJWLDTTMN-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267523656 FTVAYXVREGSXTL-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 2296562411 OFPOLQKZYPIAOS-LJQANCHMSA-N 443.452 2.135 30 10 IEEE Cc1ccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 2296939449 BLZOSXNEUAYKAC-LJQANCHMSA-N 426.425 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2303308996 XSOUNJQNQLEPLM-AABGKKOBSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2315293795 DAVAFQIWCVKERU-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2318494866 VZJMSQIQMDWKIK-BPUTZDHNSA-N 431.342 2.442 30 10 IEEE CC(C)Oc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1Br 2323044411 IDAHGIFMXYMFHT-UHFFFAOYSA-N 429.384 2.367 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(N(C)C)cc1 2330785563 HRLVZLZZONELKQ-UHFFFAOYSA-N 432.550 2.154 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc2c(c1)OCCO2 2330938920 UXKOLFMQNVTQKL-MRXNPFEDSA-N 431.518 2.401 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337195314 XDYISKKUFAQART-IBGZPJMESA-N 438.381 2.313 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2337199537 WMRQWGJJJQUWEW-KDURUIRLSA-N 436.365 2.208 30 10 IEEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)c1O 20527544 YPPQCDWEZHAPQF-ZMOGYAJESA-N 437.529 2.281 30 10 IEEE CN(C)CCCN1C[C@@H](C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)CC1=O 170574432 LEUYNBPYRVWEHU-KRWDZBQOSA-N 431.500 2.031 30 10 IEEE CCN(CCC#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 409497682 CBHSHOYRTWAXHF-KRWDZBQOSA-N 430.534 2.322 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1S(=O)(=O)NCC#N 446606838 SZGMUFKBMDYTRZ-OAHLLOKOSA-N 434.468 2.084 30 10 IEEE N#Cc1ccc(C(=O)NCCCCN(CC(F)(F)F)C(=O)c2ccc(C#N)nc2)cn1 448543986 UXWHMWXWYBADBD-UHFFFAOYSA-N 430.390 2.435 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2nccn(C)c2=O)CC1 467165169 SVHSCDPLRFQODP-HNNXBMFYSA-N 440.573 2.132 30 10 IEEE CC(C)CN(C(=O)COc1ccc(Br)cc1C#N)[C@H]1CCS(=O)(=O)C1 468911618 IWLGZQDVERJFPW-HNNXBMFYSA-N 429.336 2.371 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(F)cc1 518068691 RWFCCRPGQLMRHU-UHFFFAOYSA-N 441.434 2.098 30 10 IEEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1-c1ccccc1C 521496881 HKNAEPOSICJLEP-UHFFFAOYSA-N 447.560 2.090 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 523180854 KKPBVIODNMGZQS-QGZVFWFLSA-N 441.509 2.115 30 10 IEEE COC(=O)COc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 523356923 MBJOYECEZRCNEY-SFHVURJKSA-N 425.466 2.264 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)CC2)cc1 525578902 NWJARFKIJQONSL-MJGOQNOKSA-N 431.464 2.473 30 10 IEEE Cc1cnn(Cc2cc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)no2)c1 535894764 JHLSQYIVBXCWFE-UHFFFAOYSA-N 433.428 2.310 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 568448972 KJMJOOOOHFHOPG-SFHVURJKSA-N 430.578 2.054 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc2cccnc12 572146467 VLHYYIZUAPICOW-AWEZNQCLSA-N 445.360 2.361 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(CCC)C(=O)C1 574606286 FONKNWGPPIQENZ-UHFFFAOYSA-N 445.593 2.181 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCCO1 588152309 NNXGIZISPRUSNM-GOEBONIOSA-N 444.528 2.355 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619742124 HTQJDTHFONFZIE-JXFKEZNVSA-N 439.520 2.028 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nn(CC)c(=O)cc2C1 669815607 PBEXWLDBYGQHQC-UHFFFAOYSA-N 430.310 2.361 30 10 IEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670221447 CYOXSXIXISIQRC-LJQANCHMSA-N 438.532 2.121 30 10 IEEE C=CCOCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 679495341 LNOJECHQWFIQRA-LBPRGKRZSA-N 437.381 2.230 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc3cnccc23)c1=O 684533724 CBPJXSFKRKTZOE-GOSISDBHSA-N 433.533 2.367 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)c1 730136954 BWGVARDMKYQWHX-FSPWUOQZSA-N 431.562 2.053 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccc(C)s2)cn1 730145297 YZLBIIUIHDAPDC-QGZVFWFLSA-N 448.618 2.473 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C[C@]2(C)CCOC2)C1=O 733075757 WPOWSCNQJXBILA-UTKZUKDTSA-N 436.553 2.252 30 10 IEEE C=C(COC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1)C(=O)OCC 734027673 PBULKBORXMIVIX-OAHLLOKOSA-N 447.513 2.253 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1 748534859 PIQYEZLAGLIMSZ-QGZVFWFLSA-N 446.529 2.034 30 10 IEEE C=C[C@@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757471226 PNPNHDJZUSXMQP-BTYIYWSLSA-N 438.480 2.422 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 771569104 ZRKHGKMSPSNBMW-AWEZNQCLSA-N 434.440 2.260 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C)c2=O)c1 772274233 CLUPEHKIMZZLRT-UHFFFAOYSA-N 446.370 2.080 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1 777203626 AMFMAPMEQVAAPT-HNNXBMFYSA-N 435.502 2.294 30 10 IEEE C#CC[C@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccccc1 780842413 CQIQWNWVQXMRFD-FCHUYYIVSA-N 448.571 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCO[C@@H]2C1(C)C 782395469 GNQAQBFEILYMKY-WPIVQRKMSA-N 449.548 2.437 30 10 IEEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782885495 ULBKEBFTLQKDSE-GXFFZTMASA-N 448.442 2.350 30 10 IEEE COC(=O)c1cccc(COC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)c1C#N 786293127 ISSTYVQHAQAKGE-UHFFFAOYSA-N 438.484 2.481 30 10 IEEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 790712191 DBRVFIHETGCONA-APWZRJJASA-N 444.557 2.217 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCSC2)C1=O 794440805 KVZPDEQRGUGMDB-SJLPKXTDSA-N 445.614 2.453 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H]2C[C@H]2C2CC2)C1=O 797426470 IWWXRXTUYBTJLL-FRQCXROJSA-N 444.557 2.213 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 798936644 JPNMIBSXFJFTJX-SFHVURJKSA-N 429.521 2.118 30 10 IEEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)n1 807931891 YEFRNQISUWFWTO-OAHLLOKOSA-N 436.900 2.408 30 10 IEEE CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811643357 CHZTZCDQCQMSGQ-UHFFFAOYSA-N 441.373 2.345 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(OCC#N)cc2)cc1 814381641 GADSSSDHVBAVNN-UHFFFAOYSA-N 437.543 2.002 30 10 IEEE C[C@H](CC(=O)NCCc1cccc(C(F)(F)F)n1)/N=C1/NS(=O)(=O)c2ccccc21 814419421 ADIGBKHEWOJLNL-GFCCVEGCSA-N 440.447 2.276 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 919319195 WKDUJEOIIYREGQ-UHFFFAOYSA-N 430.526 2.101 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)COc1ccc(C#N)c(Br)c1 1132353470 XQWPMYLWJYZPQB-LRDDRELGSA-N 425.279 2.174 30 10 IEEE N#C[C@@]12CN(C(=O)COc3ccc(OCc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1134052718 NKDQDJQMBRFINT-AVRDEDQJSA-N 426.494 2.041 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cc1 1154325253 PCBJUCSHMKFDGQ-HTAPYJJXSA-N 449.573 2.480 30 10 IEEE CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 1154408410 OHGIBDQTTJSGNR-GOSISDBHSA-N 426.517 2.483 30 10 IEEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCCc3c(C#N)cccc32)C1=O 1171746325 WDPWGNBBAWZDBS-DEOSSOPVSA-N 431.496 2.285 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2nc(O)n(C3CC3)c2c1 1175447772 XETKQKVTHZWCHY-LBPRGKRZSA-N 425.470 2.254 30 10 IEEE C[C@]1(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@]1(F)Cl 1230577094 KORCVMWJPGXJTI-ROUUACIJSA-N 428.917 2.279 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCNC(=O)OCc2ccccc2)CC1 1256465286 LRAMIZZSGZYTLP-UHFFFAOYSA-N 438.488 2.182 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCCn1cc(CO)nn1 1286424931 RABJEJWUMMVLJN-UHFFFAOYSA-N 440.511 2.130 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COC 1286457709 CUWVERMSLLHFEE-WMZOPIPTSA-N 434.537 2.242 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2OCC[C@H]2C)n1 1286470959 GXUZCCFQWLHQPM-HLAWJBBLSA-N 442.564 2.427 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1286476902 JCNJKXIYQYZKCJ-QFIPXVFZSA-N 435.551 2.481 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](F)COC)CC1 1286485406 KIJUYVYJEZATNU-KRWDZBQOSA-N 433.553 2.319 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCS2)CC1 1286487607 WVCQTAOCVBUNNH-GOSISDBHSA-N 446.621 2.058 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCC)CC1 1286509448 QRBYLLHYNKNOEF-QZTJIDSGSA-N 440.635 2.332 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC)[C@H](C)C1 1286548152 RPZHZEKUGUECRH-HBFSDRIKSA-N 439.564 2.437 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC[C@@H]1COCCO1 1286750342 YIHVLOXEAGQFDC-QGZVFWFLSA-N 431.562 2.460 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 1286795177 XDEQIFLYNUZHQG-VKJFTORMSA-N 437.541 2.296 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F 1288725105 IBIPHMDDNPXUBO-ZDUSSCGKSA-N 427.477 2.315 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1290201675 CIGXUCVGYZLCMJ-UHFFFAOYSA-N 436.493 2.267 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)Cc1ccc(OC)c(OC)c1 1298747911 VXQOPIJXQYTRRR-UZUQRXQVSA-N 434.533 2.420 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300361272 DBMLURCIRJLUQD-WOJBJXKFSA-N 430.597 2.012 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300504377 MTEIRAICTPHZJC-IBGZPJMESA-N 446.573 2.001 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1300601380 HGNSNCDAMAQXAV-QGZVFWFLSA-N 445.589 2.478 30 10 IEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300853826 WNMZYSGHILBQML-HNNXBMFYSA-N 440.367 2.180 30 10 IEEE C#C[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CCOCC1 1301132530 KJPBGCUBGSOAKB-VWNXMTODSA-N 445.519 2.045 30 10 IEEE CC(C)(C)c1ncc2c(n1)CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1301279880 XZSQIDQHYOEZJY-IBGZPJMESA-N 446.511 2.436 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2)C1CC1 1301314212 PPTJKLGCCOBISG-OAHLLOKOSA-N 431.562 2.416 30 10 IEEE C=CCSCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@@]1(OCC)CCOC1 1301621340 VWYDTUDSUJJMIP-OXJNMPFZSA-N 433.582 2.319 30 10 IEEE CC(C)Cc1nnc(N(C)CCc2nccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1302855074 RTHLFWCRUZOORH-HNENSFHCSA-N 429.550 2.138 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCCOC(F)(F)F)cc1 1302988925 DVJKFRYGHCIIKX-HNNXBMFYSA-N 436.394 2.384 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1304598515 XPXVQHKKRLXUCE-UHFFFAOYSA-N 429.484 2.427 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3sncc3Br)CC2)cc1 1307571215 CYSFTONMJMKBQC-UHFFFAOYSA-N 427.349 2.284 30 10 IEEE C#CCN(CC#CC)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1313088379 QYQBVTDXBPPWEH-UHFFFAOYSA-N 436.516 2.460 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358887652 AGOKLZVXDBPXDZ-IRXDYDNUSA-N 428.537 2.232 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358907421 ONMGVHIZBURKMX-UHFFFAOYSA-N 431.500 2.141 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)COC)CC1 1358908659 FTGSCJJXRHTXHK-UHFFFAOYSA-N 439.516 2.209 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1358937373 SONOTOXHYXJTJS-LPHOPBHVSA-N 443.508 2.362 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSc1ccccc1 1358984896 JVKQVWQRYJDMAL-QGZVFWFLSA-N 431.587 2.144 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359059785 ZZQIJCOMYALFEH-UHFFFAOYSA-N 441.605 2.260 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(F)cc2)CC1 1359302390 GBPAMBLIZYZQQP-UHFFFAOYSA-N 435.507 2.032 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359302875 WMVCKLAJMXKUIE-MRXNPFEDSA-N 425.562 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C)C1 1359334391 DFKQDDZBVBQSII-KRWDZBQOSA-N 429.546 2.107 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1359337156 KWZPWILCJBMZBI-DOTOQJQBSA-N 443.639 2.203 30 10 IEEE C=CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359346259 GOYUDEMHWGVYQH-YRNRMSPPSA-N 438.550 2.352 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1360482584 GZJHKDHFJCOMOZ-BRWVUGGUSA-N 432.569 2.217 30 10 IEEE N#C[C@]12CN(C(=O)COc3ccccc3OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1439799645 ZQFUVLSAPKEPNR-PGRDOPGGSA-N 426.494 2.041 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)n[nH]2)c1C 1445757812 USYLJNQOHVUOCJ-UHFFFAOYSA-N 425.514 2.336 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)CN1C(=O)c3cc(Cl)c(Cl)cc3C1=O)CC(=O)N2 1460698163 JAXFQNZKJVWGEH-UHFFFAOYSA-N 429.219 2.446 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1465545970 ZRRBCIJHQCWBKS-HNNXBMFYSA-N 428.482 2.104 30 10 IEEE C#C[C@@H]1COCCN1C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1468880647 CAGPVGDLPAZBTA-QUCCMNQESA-N 432.567 2.100 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1471567908 HFZQBKFDCBBTJP-INIZCTEOSA-N 442.988 2.355 30 10 IEEE CC[C@@]1(C(=O)OC(C)(C)C)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1473847400 GESYQPRZHYNHCI-HSZRJFAPSA-N 445.564 2.337 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](c2cccnc2)C(C)(C)CO)c(C#N)cn1CCOC 1476379092 ATLKOFMQVMLZIM-LJQANCHMSA-N 443.504 2.459 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)SC 1503102237 DOXWQSCTTKXNAZ-UHFFFAOYSA-N 432.598 2.196 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1503843892 DNCRSWRXQXUSFU-ZOKDDAQRSA-N 427.530 2.117 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1504787270 UJVQNWKSXOFTGM-XXBNENTESA-N 441.532 2.397 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1)C1CC1 1505133760 CDGFGHRFSKXJDX-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)(F)F)CCN1C1CC1 1505322253 KWFJKQNBVNKWJV-GDBMZVCRSA-N 428.459 2.275 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1CC 1507609976 CIISWHYUCIDAQE-UHFFFAOYSA-N 428.541 2.122 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1507796629 MYOGBVGCFOGYML-RBUKOAKNSA-N 427.530 2.033 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1508080238 MKZIHNBHINJMFK-HZPDHXFCSA-N 443.552 2.315 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2COCCO2)C1 1508117038 STTZTMWEPLAHDP-HUUCEWRRSA-N 438.326 2.232 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1508316871 CNPNLHGXIFLFIW-MSOLQXFVSA-N 430.459 2.346 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1509952038 HVDQSCDORQEKOT-MRXNPFEDSA-N 430.582 2.072 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1519380338 FXAIVPQDBOZKTB-AUSIDOKSSA-N 441.532 2.112 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1529449565 YCVPVEBKFDEUIV-QHCPKHFHSA-N 440.500 2.470 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCn1cc(Br)ccc1=O 1534381610 BJNNWTBIZYTSMK-AWEZNQCLSA-N 441.326 2.314 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)OCC 1535344815 IZHNSQYXOLVITB-GFCCVEGCSA-N 428.674 2.229 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 1537718083 XJKZNGOQZZCWHR-IOASZLSFSA-N 425.279 2.018 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCN(C)C 1539015672 VQOLKSMDIMTYOM-SFHVURJKSA-N 448.612 2.429 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN(C)C(C)C)c1 1539040117 MWLUUNVKDJCEJS-UHFFFAOYSA-N 432.532 2.132 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@@H](F)C2)c1 1539042577 INNGYLSSRJQODH-SCTDSRPQSA-N 438.507 2.424 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1539090200 ZIXJKXFDQBMMCV-UHFFFAOYSA-N 438.561 2.161 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H](O)C1 1539177997 DEBZNYBHPZLVHD-BZSNNMDCSA-N 433.553 2.207 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539230487 HXSDDFKBEUWBHO-HYVNUMGLSA-N 449.602 2.325 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539423332 XQTZVZJZCDSDCA-MBSDFSHPSA-N 444.507 2.420 30 10 IEEE CC(=O)N[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(Br)c1 1540604061 FXIISWPUSMKCNL-SFHVURJKSA-N 442.317 2.242 30 10 IEEE C=CCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861321 LLZXMZKTTFZPBY-LRAJWGHMSA-N 432.525 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC2(CCCC2)C1 1540905172 UISJLXVYDWPOQF-UHFFFAOYSA-N 431.562 2.014 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2snnc2C)c1 1542173333 GDSMXVDBTAHQDC-QGZVFWFLSA-N 425.518 2.411 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccc(OC)n2)CC1 1544772849 OKRUXQNQCJGLCO-AWEZNQCLSA-N 425.917 2.170 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1(C)C 1555184790 BMHNYFOJFQORIF-LJQANCHMSA-N 441.532 2.131 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1555279759 AARLRIBNTXBZHX-LJQANCHMSA-N 444.511 2.066 30 10 IEEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1555279973 XXBPAALQWXIEEZ-GOSISDBHSA-N 426.496 2.426 30 10 IEEE N#Cc1ccc(N2CC[C@H](N3CCC(C(=O)NCCCN4CCCCC4)CC3)C2=O)cc1 1559668255 UAGZVBSULALXHO-QHCPKHFHSA-N 437.588 2.368 30 10 IEEE C#Cc1ccc(CNC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1564788199 KIMXXMAUNGKQPI-SFHVURJKSA-N 427.501 2.219 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@]3(C4CCCC4)CCNC3=O)c(C#N)c2N)cc1 1566186721 OZUQJRJWLQFFIY-XMMPIXPASA-N 434.544 2.380 30 10 IEEE C#CCN(C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O)C1CC1 1569239333 RWEYUNQUYPAMSM-UHFFFAOYSA-N 438.322 2.373 30 10 IEEE CN(C)CCOc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1570228916 FZXAVZPXTQKHEP-UHFFFAOYSA-N 448.520 2.224 30 10 IEEE N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1584134414 DMVMPZNXLPOHDZ-UHFFFAOYSA-N 434.496 2.456 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@]2(C)CN(C)C[C@]2(C)C1 1586214990 SMVRSHIDSNIJNR-BULFRSBZSA-N 432.590 2.084 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588045803 QZTDFXBFPYNGDF-MRXNPFEDSA-N 432.521 2.016 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@@](=O)C(C)(C)C 1588140658 ZNFBZSIRXMVZAK-WWOZWPLTSA-N 426.542 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1588251869 YOOWADGDWPAIFX-FQEVSTJZSA-N 440.569 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCSC1 1588672732 GTHRYJSLCNBSKF-JOCHJYFZSA-N 425.558 2.304 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2nccs2)n1 1588722837 GUFNVMAHEKCELX-UHFFFAOYSA-N 434.529 2.328 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)cc2)CC1 1588800930 ROFBPFOMOGHHPQ-UHFFFAOYSA-N 432.576 2.328 30 10 IEEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1594573403 RWWOPYPCLCLMIN-HNNXBMFYSA-N 437.342 2.343 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1596889871 UZVWEQPPMIOJJS-UHFFFAOYSA-N 447.582 2.455 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCNC(=O)OC(C)(C)C 1612598400 JXECGDVOGQKUDA-UHFFFAOYSA-N 440.552 2.485 30 10 IEEE COc1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NC(=O)Nc2cccc(C#N)c2)cc1 1616127679 JNQTVVYWLLELKA-UAFMIMERSA-N 438.440 2.472 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619614657 NGDXBDDTRIADDH-QGZVFWFLSA-N 425.468 2.424 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1nc(C(F)(F)F)cs1 1619909658 FVSZWRKJUPTXEX-UHFFFAOYSA-N 445.471 2.306 30 10 IEEE C[C@H](O)[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)OCc1ccccc1 1628279807 MTTNOSAAQOQRQB-DJJJIMSYSA-N 431.286 2.472 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)c1 1633861501 DLDJBSSLEMCWHJ-HZPDHXFCSA-N 431.432 2.297 30 10 IEEE C=CCC[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1636469288 LBMBMZMOKOLXQF-HOCLYGCPSA-N 433.368 2.195 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2)C1 1636679803 SPYGADDJTRJEGX-AEDQCMNXSA-N 447.576 2.147 30 10 IEEE C#C[C@@H](NC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1637128459 PFBXJGVFKXNCGH-HXUWFJFHSA-N 436.597 2.437 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)cc1 1637337869 VQXOSUQEKNAOPQ-WOJBJXKFSA-N 428.510 2.180 30 10 IEEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1641564526 VIIZCFQFKQUWSF-FQEVSTJZSA-N 430.516 2.249 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1642483677 FYAMZHBEMWGXRS-GCJKJVERSA-N 425.554 2.357 30 10 IEEE CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1643264678 DZSOGUFEXAGEPM-LJQANCHMSA-N 440.569 2.238 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1643543315 NJCXILSVGUDZLE-OAHLLOKOSA-N 432.498 2.316 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 1643682727 YWZGCIVRLFRCLM-GOTSBHOMSA-N 425.554 2.307 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c1 1645434286 SKBHCFIUJPYUCG-SFHVURJKSA-N 447.557 2.260 30 10 IEEE C=CC[S@@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 1646624692 NRMRPTGBNRUHIE-NDEPHWFRSA-N 438.527 2.222 30 10 IEEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1648293703 QGNLFJSXUGWGTB-CJNGLKHVSA-N 447.605 2.312 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)nnc1-c1ccco1 1651430813 SKTBQHFEIJKDRK-HUUCEWRRSA-N 436.559 2.099 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1nnc2c(=O)[nH]ccn12 1654676341 GHPFFPGJXFOPRQ-GFCCVEGCSA-N 425.518 2.079 30 10 IEEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1660489565 NOIQJLOEQSAPFR-HXUWFJFHSA-N 433.574 2.153 30 10 IEEE C#C[C@H](NC(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1)C1CCOCC1 1682888503 SPHBQAWVCJTQIZ-INIZCTEOSA-N 428.489 2.313 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1689824504 QXNMPUSFYWDPQI-MGPUTAFESA-N 435.450 2.422 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1690034912 WKQSPGKUXWCPQP-QHCPKHFHSA-N 445.564 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCS(=O)(=O)C1 1690042808 DCIZIORAAMLSNE-IBGZPJMESA-N 448.552 2.028 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1690642241 DLTMGDDZGZQBIJ-HNNXBMFYSA-N 432.887 2.170 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1690669496 HEIXNESZYGBBCS-UHFFFAOYSA-N 444.967 2.312 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)C1 1690712050 MHIUYJSXNMASGZ-GHTZIAJQSA-N 445.539 2.498 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)c1 1692963869 DKIZHXBZTHNYON-SFHVURJKSA-N 446.577 2.248 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](OC)C(F)(F)F 1694789636 XBBRLUSGQHRSMH-CVEARBPZSA-N 436.438 2.499 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1698487658 VKQRQLNBYBPALK-QGZVFWFLSA-N 430.459 2.333 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705625135 XVMWNIXYYPBGLU-WOJBJXKFSA-N 436.560 2.402 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)cs1 1705651535 ARFNAXYWFAOCAB-CQSZACIVSA-N 427.621 2.261 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705665961 JKEWLLUYLYMODN-PKOBYXMFSA-N 425.558 2.247 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705739441 GRDNNWNKWUJLHG-HXUWFJFHSA-N 443.548 2.018 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705828262 HYFXVZOYVQCWBP-UHFFFAOYSA-N 429.569 2.355 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1705903451 WNFOZOKAJWJXRX-DFQSSKMNSA-N 425.533 2.441 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OC(C)C)CC1 1705905858 JKNZBSRFRNTXKR-UHFFFAOYSA-N 437.548 2.213 30 10 IEEE C=CCNC(=O)Cn1c(N2Cc3ccccc3O[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705908075 HDPYNNWPKZCBNW-SBUREZEXSA-N 441.532 2.020 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1705908773 HCMBNGYSKACJSB-CRAIPNDOSA-N 447.561 2.033 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1707803021 FBEIYMGKIISJFT-LEWJYISDSA-N 431.516 2.159 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1709459483 BSWIWTKSDXZNQY-LPHOPBHVSA-N 426.521 2.235 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)Oc2ccccc2F)CCOC1 1710482230 CBCUYLNKIOUZDN-HYFFOGBASA-N 445.495 2.266 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[C@]2(CCOC2)O1 1712622837 VLCXGTLRAXSORN-GOYZHWMFSA-N 433.553 2.469 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722362592 NTOWHRAGKLWOHI-DOTOQJQBSA-N 449.964 2.047 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C1OCCO1 1722402934 IDPABWIQWNTHEW-UHFFFAOYSA-N 432.484 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722472737 RZRHQGJHNNZHCU-PXDATVDWSA-N 449.603 2.199 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnn(C)c1 1722494870 SRFZTWUNRWNRGH-GJZGRUSLSA-N 425.331 2.281 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1722700294 DOMFPTUDWQLGKS-OAQYLSRUSA-N 432.528 2.014 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722701391 OMPBMYKMCCXRDS-LJQANCHMSA-N 449.559 2.319 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OCC)CCCC2)C1 1722717553 BWSDOLBDNLSCMJ-MSOLQXFVSA-N 438.594 2.311 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1723780229 PXEGOGYJWQFQTJ-OTBWCIGPSA-N 438.598 2.347 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1726403262 FPAHALCMLZQKOE-MRXNPFEDSA-N 440.552 2.435 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)CC)cc1 1728875218 DMNIWZMELQYSAW-APWZRJJASA-N 442.520 2.024 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)OC1CCCC1 1729209496 SGLMHDOWAJSGLK-UHFFFAOYSA-N 433.534 2.474 30 10 IEEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 1729819877 GQFMGOVNILUFCS-PKTZIBPZSA-N 438.532 2.246 30 10 IEEE COCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cs1 1730533180 BSWBFBUCYGANCB-IBGZPJMESA-N 442.480 2.019 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)C1 1731182726 UWXBFESQJXLCJY-OAHLLOKOSA-N 431.781 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)C 1740537963 AWUZSRKVRVNSEC-VQIMIIECSA-N 433.578 2.324 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCCC1=O 1740608588 HMTXPLGAAWIUJK-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(CC)CC)cc2)CC1 1740699190 XJECUGPZEKDZKS-UHFFFAOYSA-N 449.603 2.050 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1 1740711859 WBFKRRWYDSAIMS-KRWDZBQOSA-N 437.367 2.104 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740720320 UVQLIGTUURMSFB-UHFFFAOYSA-N 439.651 2.285 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CC)C(=O)C1 1740752639 YSTVODMSDPMQSY-YLJYHZDGSA-N 446.596 2.236 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1740954722 FHFOKYSTAMRYSM-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@@H](F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965739 SANGAIGLPOJVIL-WCVJEAGWSA-N 436.532 2.145 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1741802252 HJNQSTLQSJFEKB-GXTWGEPZSA-N 435.330 2.017 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1742658303 DLHLCPYLKSGLQK-INIZCTEOSA-N 425.468 2.124 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1744804270 JDCNLQOHFWGNMQ-VQIMIIECSA-N 446.577 2.293 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)c1ccc(F)cc1 1747552593 DRGFYKFVBYOEGQ-RBUKOAKNSA-N 425.512 2.411 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1747873427 FHRJJZKXZBUWDU-UHFFFAOYSA-N 438.532 2.178 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748808081 HROGPXZROHTAJM-AEFFLSMTSA-N 446.598 2.334 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1748819973 VWSSSRIGABPVIK-OAHLLOKOSA-N 425.967 2.013 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749135539 FUGDXHCFIDCRQD-WWNBULGVSA-N 445.589 2.458 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)CC1 1749652787 SLSUIOCOAXMGKS-UHFFFAOYSA-N 444.948 2.442 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1 1749689751 JUCQKAGKSKURIQ-GOSISDBHSA-N 427.505 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749731779 KFVBNRJXHWWCCM-UHFFFAOYSA-N 449.621 2.422 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1751089403 HAMXBXMIBXKAFJ-MRXNPFEDSA-N 448.535 2.224 30 10 IEEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1751363562 FGLYLPFCLLAHAW-KBPBESRZSA-N 445.574 2.283 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1760181446 VSIONNPYLKUGQE-FCHUYYIVSA-N 441.601 2.050 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@]2(C)CCCO2)n1 1760252864 SITPBFWALGTDRF-QHCPKHFHSA-N 435.532 2.392 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2([S@@](C)=O)CCC2)CC1 1760263140 PGBVADIEXOYABI-SSEXGKCCSA-N 425.602 2.120 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(C)cc1 1760281532 NZKQCKIVIRNDOC-SFHVURJKSA-N 448.614 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](C)C1 1760315696 HZANDIBBROEJPG-TXTZMMAHSA-N 425.599 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1760323876 GJHNJKPSFPKWKL-KKVAFCGZSA-N 430.578 2.282 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1760324571 LBRCIWUXRAZEBR-GHTZIAJQSA-N 446.573 2.382 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1760552808 BCYHYEQGHXAFOK-FQEVSTJZSA-N 440.573 2.092 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OCC)C1 1765671548 BZKYVUSLGOIGHX-SFHVURJKSA-N 446.577 2.150 30 10 IEEE CN(c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1766994594 QTCBWNJUNPFJSQ-QGZVFWFLSA-N 425.514 2.200 30 10 IEEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C1CCCCC1 1767360462 BONASWGWGHXSRD-SFHVURJKSA-N 434.610 2.185 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1cccc2c1OCCCO2 1769843264 DJIBZLRSZROGPT-UHFFFAOYSA-N 437.504 2.255 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1770918599 DUSJKNLGRAVJFG-HXUWFJFHSA-N 437.592 2.315 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)C1 1771263270 PUSIJKDMNATKQL-IBGZPJMESA-N 435.532 2.396 30 10 IEEE Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC5(C#N)CC5)CC4)c3CO2)cc1 1849946364 PXGDHUBKRBZNAZ-FQEVSTJZSA-N 448.527 2.130 30 10 IEEE CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)C1=O 1851241090 MELZSHCESVITRK-DOTOQJQBSA-N 442.859 2.474 30 10 IEEE Cn1nc(-c2ccccc2F)cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852436754 PXFONHLBPRHCDS-UHFFFAOYSA-N 434.475 2.472 30 10 IEEE NC(=NOCCc1nc(CN2CCSCC2)no1)c1ccc(Br)cc1 1853434535 UJWXUAHKRJRLGJ-UHFFFAOYSA-N 426.340 2.261 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1854543420 DKPASTNMEFBEDP-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE COc1cccc2sc(N3CCN([C@H]4CCCCN(C(=O)CC#N)C4=O)CC3)nc12 1855722880 GELYWWYIDYKTDJ-HNNXBMFYSA-N 427.530 2.248 30 10 IEEE Cc1cccc(OCC(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)c1 1855960000 RCXRPTQKNKVHJS-UHFFFAOYSA-N 427.482 2.024 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862740137 PAJUQXHLACVDBQ-DIFFPNOSSA-N 427.369 2.462 30 10 IEEE Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1866867704 QUCCYLASQJTJGM-MOPGFXCFSA-N 426.542 2.449 30 10 IEEE O=C(NCc1ccncc1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933372 FCOWZPCXRMCHNI-LJQANCHMSA-N 438.484 2.187 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)cc2OC)cc1 1870098691 RCOJZFZVWOMBMS-UHFFFAOYSA-N 429.458 2.356 30 10 IEEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(CC)CC2)cc1=O 1870559488 CYXXLJAEVLYTEJ-UHFFFAOYSA-N 439.556 2.258 30 10 IEEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873593587 QYJVJFJAZCYUGN-UHFFFAOYSA-N 436.560 2.298 30 10 IEEE CCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1874273468 GCXFGLOCJTYVPU-QCXKMSLLSA-N 444.561 2.251 30 10 IEEE Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1 1891350371 FFTIYRTYKLIGBZ-UHFFFAOYSA-N 427.512 2.484 30 10 IEEE C=CC1(NC(=O)[C@@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1897694862 JAXHZGZJKKTYMH-GJZGRUSLSA-N 425.526 2.039 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 1984912508 GJSKYWHKYXPTFK-JYJNAYRXSA-N 427.542 2.332 30 10 IEEE CC(C)(C#CC(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023912847 OENDYIBGMUMCAR-QFIPXVFZSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634789 DNGJRKRSIYVTBV-DLBZAZTESA-N 432.326 2.295 30 10 IEEE COC(=O)[C@]1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2232315168 CFTRIRYQJMKDJU-QFIPXVFZSA-N 448.325 2.312 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243417326 NKFNVNAALUOMIW-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C[C@@H](NC(=O)CCONC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248401428 ISYMZDFZGZXOJL-GFCCVEGCSA-N 441.359 2.466 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCN1C(=O)OC(C)(C)C 2255632523 NYHGCLMAVISDKY-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255652602 XAMVOXFBIGIMLY-UHFFFAOYSA-N 439.293 2.096 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255830579 ICUOECHFZAIMDY-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@H]2C1 2255850966 ZFTHWGFWFOAMIJ-QDMKHBRRSA-N 432.326 2.422 30 10 IEEE CC1(C)OB(c2ccc(CS(=O)(=O)N(CC(=O)O)Cc3ccccc3)cc2)OC1(C)C 2256903781 GYKACVRALLOIMJ-UHFFFAOYSA-N 445.346 2.402 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267133640 FAIMDVTWVQWPRI-GJZGRUSLSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267197678 NGDBVUCGKCOHOE-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267503761 IVYSNIJIOUORKS-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267529767 POUXADXNZUCMIE-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(OC)C1CN(C(=O)OC(C)(C)C)C1 2267601024 OXMSRDHYQYDKIY-UHFFFAOYSA-N 449.357 2.430 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268792917 WIAINKIJKJMCDU-GOSISDBHSA-N 446.353 2.104 30 10 IEEE CCCn1c(N2CCCC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461606 LXWMHIRJKLIZKP-UHFFFAOYSA-N 446.554 2.324 30 10 IEEE CCc1nnc(SCC(=O)OC)n1N=Cc1cc(Br)c(O)c(OC)c1 2321014844 WBUWIDQRTQVRJX-UHFFFAOYSA-N 429.296 2.465 30 10 IEEE COc1cccc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 2329045295 ZPXASDSMANEHME-OAHLLOKOSA-N 433.534 2.073 30 10 IEEE COc1nc(N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787182 WWENPVASGJHKAC-GXTWGEPZSA-N 443.275 2.283 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649893 PBCCPQLYPGYPEM-MAUKXSAKSA-N 448.369 2.185 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc1 20805918 RPBFHRRNYLFPSO-SSDVNMTOSA-N 439.501 2.264 30 10 IEEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc1 59816364 ZPMKRLQPAVQBRR-AWQFTUOYSA-N 441.521 2.290 30 10 IEEE NC(=O)c1ccccc1OCC#CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 90744020 YXKRENMZNAJVOR-UHFFFAOYSA-N 426.416 2.306 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 102542814 BMZAYSUMBLYOAK-AGGMBTAESA-N 437.496 2.234 30 10 IEEE CC(C)N(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208087620 KHPRIRDPMPRHHQ-CQSZACIVSA-N 434.346 2.430 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2nnnn2-c2ccccc2)CC1 444405516 RGAWXBGHRKNZIN-LJQANCHMSA-N 437.504 2.303 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462092554 JYDYKYSKGPNIGB-UHFFFAOYSA-N 444.499 2.129 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@](C)(O)Cn3ccccc3=O)c2)c1 468258323 BGAJMNIXJLPHMY-RUZDIDTESA-N 430.460 2.424 30 10 IEEE CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478030226 XMGNGNODDVOVMB-RBUKOAKNSA-N 434.562 2.168 30 10 IEEE N#CC1(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCN(Cc2ccccc2)CC1 482608133 VNYBVMLEEGUCHQ-UHFFFAOYSA-N 444.532 2.169 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(Nc2cccc(C(=O)OC)c2)CC1 508467211 XLWZDXFNLDKSBY-IBGZPJMESA-N 427.505 2.420 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 508478931 VIYVUCOUOYWBHN-IBGZPJMESA-N 441.488 2.136 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1C[C@@H]2CC[C@H](C1)O2 508823847 GDBBMGPCICSLEU-HDICACEKSA-N 429.546 2.283 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(Cc3ccc(F)cc3Cl)CC2)CC1 512416428 TWWZZHIFXGJSNP-OAQYLSRUSA-N 435.975 2.289 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNCc3cnc4ccc(C#N)cn34)cc2)CC1 537297364 WRDJOJUWEVPTPB-UHFFFAOYSA-N 446.555 2.081 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCCC 544639872 PRJJZWZLGHFGMU-UHFFFAOYSA-N 442.541 2.346 30 10 IEEE COCc1nc([C@H]2COCCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)no1 544641219 SJSVGDOLWBQTQP-OAHLLOKOSA-N 427.396 2.018 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 549700396 XDRZRHSUGZMTOA-MRXNPFEDSA-N 439.520 2.219 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 562037014 ULEBWPXWNBCOIC-VQIMIIECSA-N 443.515 2.293 30 10 IEEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 569394663 IDQQKSOPPMGMHQ-UHFFFAOYSA-N 440.573 2.471 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 570892859 XSFGBVUYAIOKSO-SEJPIABJSA-N 438.553 2.148 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccc(F)cc1 603923452 GZSLLMYOSKMCEA-UHFFFAOYSA-N 447.413 2.306 30 10 IEEE C=CCCCN(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 605887702 ZNPWNMJCQCXGLI-UHFFFAOYSA-N 425.551 2.465 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 673738425 DFMUNNMDHPYSSR-IBGZPJMESA-N 425.533 2.110 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2nc3ccc(C)cc3[nH]2)cn1 744430916 ACEVAOGWIYHESE-MRXNPFEDSA-N 425.518 2.356 30 10 IEEE CN1CCN(S(=O)(=O)c2cccnc2NN=C(C[C@H]2CCOC2)c2ccccc2)CC1 753933152 UIEWPBWYMYWZQI-GOSISDBHSA-N 443.573 2.261 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757297626 LINDRTQCFKHUPM-QVKFZJNVSA-N 438.480 2.422 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 779612273 BFXRAPIBSHLODR-ZAGZISDZSA-N 425.510 2.444 30 10 IEEE CN(Cc1cnc(N(C)C)nc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 780507719 URLHXECXLUVSCH-MOHJPFBDSA-N 445.549 2.019 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cc1F 784126120 NYNINDPRMVCVRM-KRWDZBQOSA-N 446.508 2.116 30 10 IEEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN1C(=O)C(F)(F)F 788202938 KNMNNULNMRMHAL-LJQANCHMSA-N 438.446 2.357 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 791228381 BKTXZDDQRUNUTH-UHFFFAOYSA-N 447.557 2.214 30 10 IEEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2ncn(C)c2Cl)CCCN1C(=O)OC(C)(C)C 791789718 TVYYTAUGTZFLRP-KRWDZBQOSA-N 432.930 2.224 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)c1 804517936 LWHGSPDORCYNPQ-JOCHJYFZSA-N 426.538 2.492 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C 809922037 RHGNMXPFKMWNFK-QGZVFWFLSA-N 431.541 2.451 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2C)c1=O 838177637 YDQROSMMPKEFEV-UHFFFAOYSA-N 434.517 2.259 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)CC1 858029198 UBIWMIUIDHIPLU-FCHUYYIVSA-N 425.577 2.495 30 10 IEEE C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)N(C)CC(=O)NC1CC1 915511602 AYJBRIZHFQNMIX-INIZCTEOSA-N 435.480 2.420 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 1135983463 VLQUYDFUKPRPLY-IAGOWNOFSA-N 426.414 2.335 30 10 IEEE Cn1cc(I)c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)n1 1136612336 CAQDUNNEGYUQIH-UHFFFAOYSA-N 438.225 2.356 30 10 IEEE C#CCN(C(=O)c1cn(C[C@H](O)CC)nn1)[C@@H]1CCOc2ccc(Br)cc21 1146862139 MWTNNJSYDIPJEL-RHSMWYFYSA-N 433.306 2.411 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1149491181 DLXNQDYOKNSCFP-QZTJIDSGSA-N 440.569 2.109 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)[C@H]2CCC[C@H]2C#N)CC1 1151290381 OAWCVYNSRBLIHX-WMZOPIPTSA-N 433.530 2.025 30 10 IEEE C#Cc1cccc(CNC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 1161803444 JWNSDGKTFRDDGZ-UHFFFAOYSA-N 436.537 2.367 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1cccs1)C1(CO)CCC1 1163484393 CCKIPMVNDBXELS-RDTXWAMCSA-N 433.555 2.307 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](CCN2CCN(C(=O)CC#N)CC2)c2ccccc2)cc1 1170398958 GGHSARISBRSKTH-QFIPXVFZSA-N 440.569 2.463 30 10 IEEE COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1171804422 BGMZBPNMRJREDD-UHFFFAOYSA-N 444.495 2.496 30 10 IEEE N#Cc1cn(C2CN(C(=O)C3(c4cccc(Br)c4)CCCC3)C2)c(=O)nc1O 1180989847 MXRCFIJQUSLLCC-UHFFFAOYSA-N 443.301 2.478 30 10 IEEE N#Cc1cn(C2CN(C(=O)Cc3csc(-c4ccccc4Cl)n3)C2)c(=O)nc1O 1180990600 WYWZLYQHSBCXNL-UHFFFAOYSA-N 427.873 2.223 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1224762164 KWYFCDSCFWBFSZ-FQEVSTJZSA-N 427.526 2.284 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286387267 PKYDHZAFNDTSSD-YWZLYKJASA-N 436.965 2.386 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286423059 IJZATSJSNLSMTN-FQEVSTJZSA-N 436.560 2.252 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1286478897 DHHHWOQZBMFZPF-KRWDZBQOSA-N 445.951 2.256 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCO[C@@H](C)C1 1286506218 GQNZBFBMXHLPIQ-SFHVURJKSA-N 441.605 2.434 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286688464 XJFUXNQKGGQRSX-QAPCUYQASA-N 446.577 2.430 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1286722736 RLRQGGWVDLJIHQ-QGZVFWFLSA-N 438.532 2.257 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286775898 MRNNGZHAMRAHAS-UHFFFAOYSA-N 444.530 2.468 30 10 IEEE C=CCn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286778091 QZUVFTQDXIEZMW-HXUWFJFHSA-N 431.497 2.451 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1286787049 BHPKLQGETQVMQV-MOPGFXCFSA-N 443.573 2.132 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOCC1CCOCC1 1293097373 IRKAKGCMJAZVDQ-UHFFFAOYSA-N 439.564 2.267 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CCO1 1293559839 FYPSDHDOLYABKH-LJQANCHMSA-N 429.546 2.257 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1300578986 LJICDHRPCHMYEP-QGZVFWFLSA-N 439.903 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1300728865 HWMHHEHJDXNWQO-HXOBKFHXSA-N 441.601 2.447 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC2CC2)CC1 1300830008 CFIDBURDOYPPLK-HNNXBMFYSA-N 428.375 2.443 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1300984720 IAFKMELFJLJHDJ-IEBWSBKVSA-N 438.532 2.212 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC1CC1 1301496434 ALWFIOKWCQJRQQ-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1301497854 GAOOQCPSBLTBNB-UHFFFAOYSA-N 432.488 2.026 30 10 IEEE COCCN(C)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301740445 KULADCMRDYJLIY-FGZHOGPDSA-N 434.585 2.027 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1301808525 FFUHVTOIBBKIEZ-NRFANRHFSA-N 438.576 2.248 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 1302656042 AJCSRXGWHKNIIZ-UHFFFAOYSA-N 437.521 2.391 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 1337950882 DUJDZMBBLAVLTO-LLVKDONJSA-N 439.490 2.335 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)cc1 1355492876 KRCSRLVFYLZZJZ-UHFFFAOYSA-N 443.934 2.197 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1 1357398195 DIFRNQGDUPIALA-FGZHOGPDSA-N 449.507 2.173 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)nc1 1358418490 BEAFNONLLLUDOY-UHFFFAOYSA-N 426.274 2.315 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1358964788 HMVLLJSUNHDIRQ-IBGZPJMESA-N 427.574 2.493 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1359007431 JVFVFRIZQSXRQG-QFIPXVFZSA-N 426.590 2.316 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359173022 RKSABNYQHGEEIZ-UHFFFAOYSA-N 444.561 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)n2)C1 1359321344 FFYOIVFJJKIIRB-QUCCMNQESA-N 445.589 2.298 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(C)o1 1359331543 CAIVWSNGWXKJRC-CVEARBPZSA-N 433.534 2.073 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1360612944 CKUVMWDIECSYFB-DNVCBOLYSA-N 430.578 2.026 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1437441220 MKHVCLYWXAAXBE-MOPGFXCFSA-N 430.501 2.216 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(CCC#N)c2ccc(F)cc2)C1 1443374811 WVPBHBZXCWGBRU-KRWDZBQOSA-N 439.509 2.497 30 10 IEEE Cn1cc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)c(-c2ccc(C#N)cc2)n1 1447594234 IKMSDPOBKWKYGK-BBTUJRGHSA-N 438.557 2.301 30 10 IEEE C#CCN(CC(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1453812230 KPRYTRWVAYSDHW-ROUUACIJSA-N 438.908 2.292 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)c2cc(OC)c(OC)c(OC)c2)s1 1465132131 OFTYJIIQQHWWTP-UHFFFAOYSA-N 440.543 2.444 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(CO)c1 1469641512 TYENULFBYBOIJA-LLVKDONJSA-N 438.303 2.119 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCCCC)CC1 1470805341 PKVUKWKYJPUFSA-MRXNPFEDSA-N 430.977 2.083 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1 1475594763 HGJQFBHQYKUWAF-UHFFFAOYSA-N 425.489 2.453 30 10 IEEE O=C1C=COC2(CCN(C(=O)NCCC3(O)CCN(Cc4ccccc4)CC3)CC2)C1 1479187131 KLZKLRGTQMOIFK-UHFFFAOYSA-N 427.545 2.451 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](C)N(C)Cc3ccccc3)CC2)c1C#N 1492726908 AFYKUJIOZFCNDO-GOSISDBHSA-N 447.591 2.347 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1500987457 IMBILEWZBRKSRW-LJQANCHMSA-N 425.585 2.091 30 10 IEEE COc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)cc1 1504305069 GRNONMQWLZUFKF-OAHLLOKOSA-N 436.472 2.046 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1504804729 UMZWWOLFIZRPEM-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507592774 FNRXERMQDYBCPC-HXUWFJFHSA-N 425.581 2.243 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507635536 SURWMKDMUKMCQR-QZTJIDSGSA-N 448.614 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccccn1 1507710595 IIWPRLLNOAFWMG-UHFFFAOYSA-N 446.559 2.176 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1507731342 GILBAIOQSJAOIB-LJQANCHMSA-N 436.551 2.047 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1507982148 MQZIKWXQBWNYSS-CQSZACIVSA-N 428.518 2.183 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1507998599 QUZYVKPATDWLFP-FZEVHQGJSA-N 443.573 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(C)C)CC1 1508078339 XXBWTFBZZUPDQZ-UHFFFAOYSA-N 436.516 2.298 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2)C1 1508119040 ZHANKDKFYUNMOI-IEBWSBKVSA-N 433.578 2.221 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)n1 1510252391 AYGCBTMUWHLIDW-KXBFYZLASA-N 440.483 2.047 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2[C@@H]2C[C@H]2CF)c1 1517017201 BUEOAINPGLZJNY-ZSZQSSIHSA-N 436.488 2.168 30 10 IEEE COCCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1518942745 FGVRCZROMMDIJL-UHFFFAOYSA-N 447.547 2.391 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2=O)cc1Cl 1521127917 BLUSJTLKLXOMHW-IAGOWNOFSA-N 443.935 2.361 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)c1 1534106640 XJFMFBLZTIAHPK-JHGYQWQCSA-N 442.497 2.228 30 10 IEEE N#C[C@@]12CN(C(=O)[C@@H](c3c(F)cccc3Cl)N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1536179496 JSXWHAKXEGSTHI-QMIHWGKISA-N 439.940 2.403 30 10 IEEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)cc1 1537093489 QAVVBTUSWKKDJA-MRXNPFEDSA-N 431.233 2.476 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1539078708 FJFCGYDUQQHFSA-UHFFFAOYSA-N 448.571 2.475 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1539093795 FGXVBLPODKCORN-ZIFCJYIRSA-N 431.562 2.268 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1539350670 UNPGPRWSXVLVCA-GOSISDBHSA-N 443.573 2.067 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1cccs1 1539417167 YEULDVPJIVYIHW-DLBZAZTESA-N 436.603 2.207 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN(C(C)=O)C1 1539417285 BQSOADFMGSCKTH-FQEVSTJZSA-N 439.560 2.222 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1539429692 BNCOKXRACQICRC-SKPFHBQLSA-N 445.608 2.278 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1539454341 LVRQWPMTOXHGPL-UNMCSNQZSA-N 437.588 2.500 30 10 IEEE N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)nc2n1CCOC2 1539554298 WAXYJOQZEMHGDA-NSHDSACASA-N 430.262 2.039 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccc(F)cc1 1539563814 QGSLFEMXQCMXAY-DHIUTWEWSA-N 425.508 2.439 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539599716 CLFLWIFZNPXZGD-CYBMUJFWSA-N 428.356 2.042 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1539721886 INQKNNPMXJVGDL-QHCPKHFHSA-N 443.523 2.344 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 1540388116 FKVGMOGXMSNLDC-UHFFFAOYSA-N 426.538 2.320 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 1540472641 VIBCZXPMGGYOBC-GMAFFVFYSA-N 436.487 2.416 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1540868317 ACCWGZTZHNGGRV-KRWDZBQOSA-N 448.531 2.134 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(F)cccc1Cl 1540873733 IDMSXINOXCESBN-UHFFFAOYSA-N 434.903 2.132 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCS[C@H](C(C)C)C1 1540905478 WNTHMOYYSPWMEN-SFHVURJKSA-N 435.619 2.443 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1540907709 FUAJNPRYDWISHV-UHFFFAOYSA-N 433.557 2.196 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1541459293 MMBBUKNYSKDURO-HXUWFJFHSA-N 444.605 2.357 30 10 IEEE CN(C)CCn1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)n1 1544608175 NPSFAWUAVOFGDN-HIXSDJFHSA-N 446.577 2.290 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1545169511 TUGAMOQOAXDBET-LJQANCHMSA-N 442.589 2.427 30 10 IEEE COc1ccc(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)cc1 1548368092 SAHQAKRNYBSHBE-IBGZPJMESA-N 446.429 2.331 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCCCC1 1555664012 NYRBSAGIKBFWNY-UYAOXDASSA-N 446.596 2.264 30 10 IEEE C#C[C@H](CO)NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 1556794568 KLRASSBYNRPKIM-OAHLLOKOSA-N 446.916 2.354 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cs1)C(N)=O 1558465400 DZTUUWCASZJOGI-ZBFHGGJFSA-N 444.586 2.411 30 10 IEEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1560092660 ZHICHVFLDMKSSF-GOSISDBHSA-N 430.553 2.050 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCCc3c(C(F)(F)F)[nH]c4ccccc34)C2)c(=O)nc1O 1565198962 LJXWOSGABJXOIH-UHFFFAOYSA-N 446.389 2.130 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)CC1 1565590337 XTSZYCKYDUJECY-UHFFFAOYSA-N 429.524 2.231 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCC1 1587663233 VECAJOKLJIHBQF-SFHVURJKSA-N 430.622 2.220 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1587888805 NXQSVFGKXOSFBQ-UHFFFAOYSA-N 432.546 2.293 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588045570 MUGIWSDBQPMBMC-AVRDEDQJSA-N 447.605 2.098 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1588162735 ZKRJCXFFXWIZMV-UHFFFAOYSA-N 446.960 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1588251871 YOOWADGDWPAIFX-HXUWFJFHSA-N 440.569 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595517298 WGSCUTNOAQJTNU-OAHLLOKOSA-N 442.951 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)C[C@@H](C)C1 1595759118 DCSXGPMAAZSIAS-HZPDHXFCSA-N 425.599 2.280 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(CCOc3ccccc3Cl)C1)CC(=O)N2 1596428467 GVRPWQPJRUVFNF-HNNXBMFYSA-N 438.871 2.424 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1606957220 CMLNQSVRFFFYOR-GOSISDBHSA-N 445.593 2.388 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2CC(C)(C)N2CCOCC2)n1 1612485294 HDLTZIQSCGKYAR-UHFFFAOYSA-N 440.596 2.381 30 10 IEEE CCN(CC)C(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1617833645 BEMXTRCAHUJWNM-UHFFFAOYSA-N 448.365 2.363 30 10 IEEE N#CCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)CC1 1620358052 ZBAILQLXUAFYSV-UHFFFAOYSA-N 444.486 2.136 30 10 IEEE CCOC(=O)Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)[nH]c2ccccc12 1622979226 DHKXRKBUJLJKEM-HNNXBMFYSA-N 432.484 2.286 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](N4CCOCC4)CC3)CC2=O)cc1Cl 1623874582 BTFRQIUERPNNRV-ZWKOTPCHSA-N 430.936 2.278 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc3ncnc(O)c23)c1 1624893061 RWBQMIFWWMFIPI-ULJHMMPZSA-N 425.470 2.401 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2c[nH]nc2I)C1=O 1626598816 VQBLVXNRBSUKKB-HNNXBMFYSA-N 447.277 2.330 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1(C2(O)CN(C(=O)OC(C)(C)C)C2)CCC1 1628662705 QDHJDKFGBRQISF-GOSISDBHSA-N 429.517 2.202 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1641932707 CVVWVEBWPOAFLY-GCJKJVERSA-N 425.554 2.500 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)s1 1643432831 VEYHHRMTKLSBEJ-CQSZACIVSA-N 448.570 2.162 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CN(Cc4ccccc4)C3)C2)s1 1643529282 CECSESNJLNMEKV-UHFFFAOYSA-N 431.583 2.099 30 10 IEEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN1C1CCCC1 1651770395 SHKDWSFTVPYJAJ-SFHVURJKSA-N 444.601 2.434 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1654848803 CTCDSLDAYQFESB-MRXNPFEDSA-N 425.470 2.097 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)c1 1655306534 SFVXSNWZHYRKPA-UHFFFAOYSA-N 431.489 2.335 30 10 IEEE C#CCN(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)[C@@H]1CCCc2ccccc21 1669122424 LPQMJUAGQKBUAQ-PZJWPPBQSA-N 433.574 2.197 30 10 IEEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1676393216 QVEKYSWKRUADOQ-OAHLLOKOSA-N 427.530 2.398 30 10 IEEE C=CCn1cc(CNC(=O)N2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)nn1 1683483398 YKOBQWUNDNDQBX-UHFFFAOYSA-N 434.541 2.212 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCNC(=O)OCc2ccccc2)CC1 1685793556 AQHWWOUAPLFILY-UHFFFAOYSA-N 425.464 2.455 30 10 IEEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1690072498 KHVYGZTXVQHQGV-XDOYNYLZSA-N 429.484 2.412 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690236804 RGVQZUOXMLEDMW-RTBURBONSA-N 440.548 2.133 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C 1690255082 NWWTWBSGVANNAR-BBWFWOEESA-N 430.553 2.030 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690319729 WUTRXFDOWOEQNX-SFHVURJKSA-N 434.562 2.382 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1691006582 OAJRUESVCRRGPM-AWEZNQCLSA-N 426.912 2.329 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)COCCO1 1697611723 DVSVTAIIIFWNEM-NHCUHLMSSA-N 431.468 2.113 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CC 1705480975 ZTCYYJKOOLDKIS-AEFFLSMTSA-N 443.621 2.489 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCN(CC)CC1 1705544383 OHTZMWJDPOKENV-UHFFFAOYSA-N 448.413 2.143 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1705563835 GNNVOLDLGYZTMU-KRWDZBQOSA-N 432.521 2.304 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705664025 VHLFWFOWTQXQLU-AZUAARDMSA-N 439.585 2.153 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1705716912 YPLSUCCBHUNAKX-IBGZPJMESA-N 433.578 2.370 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705817802 STASPJFBNPGOCZ-QZTJIDSGSA-N 425.599 2.246 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1705840860 FLKMQIHCBZJFRM-MWTRTKDXSA-N 438.532 2.227 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1705841100 NTXXOMCSQCXNEE-QHCPKHFHSA-N 435.532 2.336 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1705905969 MWSLLJNQSZHNJL-OAQYLSRUSA-N 432.528 2.362 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705943076 NFQVWVZFZKKYSJ-OAQYLSRUSA-N 441.561 2.074 30 10 IEEE CCCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1709762551 MXLYWDCBHCOILW-UHFFFAOYSA-N 442.589 2.174 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1710835087 VSAVIBNOSVUCPI-HTAPYJJXSA-N 427.505 2.149 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1712526433 XEAIWMXNBZYFEY-OPAMFIHVSA-N 430.553 2.143 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)C1 1712710240 ZPTYXJXENJEMSW-KRWDZBQOSA-N 446.577 2.289 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)[C@@H](C)CCC 1722278481 DOCCQERIEVRYAD-IRXDYDNUSA-N 445.589 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(C)(=O)=O)cc1 1722298450 BVJZWKZGTAWUKQ-KRWDZBQOSA-N 440.573 2.244 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1722304021 UACNNLREEXCMCB-MRXNPFEDSA-N 432.546 2.148 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N[C@H](C)c1ccccc1 1722342535 QWIQSRQRXXLCPS-IAGOWNOFSA-N 432.594 2.087 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1722363539 AETIBORDKJDYRQ-RTBURBONSA-N 445.614 2.034 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)COC2 1722388247 XQDCAHCSOSDXRF-UHFFFAOYSA-N 426.480 2.467 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1722416746 RHLUVIPINGUPIT-UHFFFAOYSA-N 427.983 2.233 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722545873 PZFHVPXKXJXGJH-OAHLLOKOSA-N 440.913 2.124 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C(=O)NC 1722609785 FNNIOACTZSJIHR-HNNXBMFYSA-N 447.609 2.331 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)s1 1722728375 VCYVMPCZJHNTMO-CYBMUJFWSA-N 443.982 2.181 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1722852185 ZVBWBUKRUKYYFB-SFHVURJKSA-N 437.529 2.377 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1723018968 GOUQPUZNNHCECF-ZQHDKMAOSA-N 428.562 2.066 30 10 IEEE Cc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1724652916 RSFFCHDZBWOXAV-FBBFKJPPSA-N 449.490 2.146 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1726749028 CJLSMVVEAVOZME-GOSISDBHSA-N 440.548 2.065 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)c1 1730016244 HBJVVKNWNMZOEE-PMACEKPBSA-N 433.509 2.272 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740567080 NTMLEBWAEPXFAO-LPHOPBHVSA-N 449.552 2.409 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NCC 1740670701 UHXPJKPYZUIXBB-UHFFFAOYSA-N 438.580 2.074 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCCO1 1740677520 MHGONXHXUZXEGL-IIBYNOLFSA-N 449.552 2.236 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)CCCC)CC1 1740694516 LYNIZPVWHAVQCU-UHFFFAOYSA-N 448.575 2.081 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(C)C)nc2)CC1 1740698286 QLZVGNCDEVYZNY-UHFFFAOYSA-N 431.544 2.250 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1740698698 LDPDCEOBJMIEGV-DENIHFKCSA-N 438.624 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ncc(CC)s2)CC1 1740706786 CNKMWBKHFJULLP-UHFFFAOYSA-N 449.584 2.297 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740715757 FIXGNXFNOMIHQQ-KRWDZBQOSA-N 427.578 2.310 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740718190 JGUDYUWLYFLRLL-ZDUSSCGKSA-N 426.468 2.384 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1740738239 FEDOPXGANHKOKV-PEDHHIEDSA-N 430.372 2.032 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740755251 JHBDZVVVWHTYDF-OALUTQOASA-N 431.562 2.008 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](OCCOC)C1 1740954914 JDQHMRSCDYSJGV-SFHVURJKSA-N 436.516 2.037 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740965125 DGZIVQWNEWEODA-RTBURBONSA-N 427.505 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1740991437 WNXKZOQFORXRNB-OAHLLOKOSA-N 436.607 2.096 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCCCCO 1743230022 BBAAAWOSQMSGLZ-KRWDZBQOSA-N 426.569 2.406 30 10 IEEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1744132570 DKMBZZNTHSOJQT-QRWLVFNGSA-N 432.504 2.424 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1N(C)CCCC1(C)C 1747997032 FZQGMERLIBZEQV-IBGZPJMESA-N 444.605 2.418 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748706192 CLUNERANOPQFRU-LJQANCHMSA-N 441.532 2.107 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1748847527 UUJDSEPTQBLRMN-OAQYLSRUSA-N 440.569 2.250 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749026092 DEHKPRFREFFBBL-QGZVFWFLSA-N 434.587 2.334 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1749384816 IAPMTGSSDNJZPA-NHCUHLMSSA-N 439.560 2.437 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1749488398 JUVWCVKJQFIKEN-SFHVURJKSA-N 430.578 2.236 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1749493678 JCPWOAPJMJFLDX-SFHVURJKSA-N 435.550 2.084 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1749565227 IYJWUUUZLHJXTC-UHFFFAOYSA-N 425.489 2.134 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1751092609 YDYVFBVSFQJTMK-GJZGRUSLSA-N 432.506 2.416 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1752582230 CAXVKPSQBPDTBH-BEFAXECRSA-N 426.569 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1csc(COC)n1 1760216183 DFXWFAUMQPEKDI-UHFFFAOYSA-N 438.513 2.120 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1760294260 RZIMMGDGTBXESB-PGRDOPGGSA-N 441.557 2.085 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760296017 XSTYOCLUOFWXMZ-GPMSIDNRSA-N 427.471 2.037 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)[C@H](C)C1 1760325139 OIXCFVGNNCLQHE-LSWJPFSZSA-N 440.592 2.402 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1760521758 CICPCGQSXZXORH-UHFFFAOYSA-N 426.569 2.091 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@H](C)C1 1760558843 BYUIFOYLMYGPHD-XSLAGTTESA-N 426.583 2.085 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1761360002 CZMJMPUUIYZFQM-MRXNPFEDSA-N 449.515 2.403 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1762050659 HRJIUUAQTQPUCI-KPFFTGBYSA-N 438.532 2.401 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)N(C)C 1764069458 FFYLDXSZSAAGQW-YRPNKDGESA-N 434.585 2.097 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(OC)CCOC1 1766432530 GMVKSRDEZDJDEB-KNQAVFIVSA-N 427.505 2.070 30 10 IEEE CN(c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1767000465 YQJCMESCZFIYSD-CQSZACIVSA-N 445.476 2.132 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCCC2)CCO1 1767709185 YORNMGVIGDWIMD-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1769974101 SIYVGWDYXYANBM-FSBGXSNOSA-N 445.520 2.288 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(-c4ccccn4)n3CCOCCCO)CCO2)c1 1770735173 FFZGFHBQHVDOAP-OAQYLSRUSA-N 434.500 2.189 30 10 IEEE CS(=O)(=O)Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1771351674 BVBYKXSQASDVOO-OAQYLSRUSA-N 440.504 2.375 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCCO)CCO2)c1 1771531789 COIBBNYOTYUGRO-WOJBJXKFSA-N 438.532 2.231 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)(F)C(F)F)c1 1771532111 POYHBCHOXBDQIM-OAHLLOKOSA-N 438.385 2.463 30 10 IEEE CNC(=O)c1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)c1 1772888432 JYNPISBLRQMRPT-AWEZNQCLSA-N 435.488 2.152 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C(=O)N(C)C)CC2)[C@@H]1c1ccc(C#N)cc1 1848994213 FZZUEDUKISNDNN-SFTDATJTSA-N 442.585 2.279 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)c1 1849619245 VIXVIVXXBIQRLV-SFHVURJKSA-N 448.479 2.352 30 10 IEEE C=C[C@@H]1CCCCN1C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1850812195 ODYVRUWIIHLMBO-OAHLLOKOSA-N 437.456 2.359 30 10 IEEE Cn1ncc(C#N)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1851996249 WWCDAGPYURRUGV-AWEZNQCLSA-N 427.408 2.102 30 10 IEEE CN1CCN(CCO[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)CC1 1852230744 KFGPKWPXYZWRRL-JOCHJYFZSA-N 443.569 2.044 30 10 IEEE CN1CC[C@@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)C1 1852536192 AKALDGKAYAXPHB-UYAOXDASSA-N 428.510 2.274 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)c1 1853391356 WZRLWQPVXITQKF-FQEVSTJZSA-N 447.499 2.368 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)C(=O)C2)cc1 1854034654 DMWDFKRIPXUMPC-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CSCc2ccccc2)C1)[C@@H]1CCN(C)C1=O 1857056405 MTCZSTMXAMYLOQ-VQTJNVASSA-N 429.586 2.404 30 10 IEEE CC(C)N1CCCC[C@H]1C(=O)N1C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c2ccccc21 1857141982 IUWVAHTZHWVJMW-LPHOPBHVSA-N 432.546 2.119 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1862678349 MHAFIDAENHYSRU-SFHVURJKSA-N 426.400 2.238 30 10 IEEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 1870106770 FHEBUUCCVWUAAS-LBPRGKRZSA-N 434.843 2.475 30 10 IEEE N#Cc1nnn(-c2ccccc2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155677 ZJIPPBMXOKVUEB-UHFFFAOYSA-N 445.395 2.062 30 10 IEEE C=CCNC(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1Cc1ccco1 1873598076 PPHATVURDJMZRM-UHFFFAOYSA-N 444.499 2.105 30 10 IEEE C=CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cccn1C 1874226897 JGVDVQZZCRGCRS-WSDLNYQXSA-N 426.502 2.220 30 10 IEEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC(COc3cc(C#N)ccn3)CC1)CS2 1891143756 PMCYJEKCERLYGE-QGZVFWFLSA-N 425.514 2.173 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060633799 RPMRRLICBQAWTH-LVQVYYBASA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2060638611 ZCVHWLLJDXXVDZ-UHFFFAOYSA-N 446.300 2.345 30 10 IEEE CN(CCN(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2243386636 DXOGSYLTQQMFGP-UHFFFAOYSA-N 442.325 2.050 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435156 LRVHCSTTWHKATR-GASCZTMLSA-N 430.376 2.397 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773425 JRXXPNJAJODSBS-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247840399 MFYQOZBFEYDOJU-ZHRRBRCNSA-N 425.363 2.447 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247963281 WDCYRKIDWAHRIB-OWCLPIDISA-N 442.387 2.349 30 10 IEEE CC(C)(C)OC(=O)N(O)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248416084 LTUCDFPXLPGYGV-UHFFFAOYSA-N 425.266 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CO1 2255528556 CGEHYAHRIGIYRF-CQSZACIVSA-N 436.289 2.406 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255616510 OXLIEFPENZDXLJ-UONOGXRCSA-N 434.346 2.179 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633344 ZLJASTMPBMJTLK-CQSZACIVSA-N 434.346 2.180 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OC(C)(C)C)C1 2255637391 CLAQVKJKMKMDKS-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2255696392 SYEOGEYIQMKCLZ-UHFFFAOYSA-N 431.342 2.183 30 10 IEEE CCn1cc(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255818718 PFSSCQYGRYPGFY-UHFFFAOYSA-N 436.362 2.141 30 10 IEEE CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256625818 BZCJIYUONAHZAU-IRXDYDNUSA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]21 2267098532 AIMROFKGSIKNHD-GOEBONIOSA-N 446.357 2.180 30 10 IEEE Cn1cc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267126824 DPYWUAASMIDNPM-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267135049 XZHSMDZSSIYVBX-XLIONFOSSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267144336 VHADEZKMNAVRHA-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE Cc1nn(C)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267146087 KSIVLAMZMUSIGF-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CCC1(NC(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267153946 UGQAQNMTVXHTDR-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)c1cnn(Cc2ccccc2)c1 2267504840 YPJYYXAZUJXARS-INIZCTEOSA-N 435.337 2.455 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510230 HZWXDLAAKVJQKR-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE C[C@@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268725194 SNDHOSKNMJNNJT-QAPCUYQASA-N 448.369 2.439 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@](C)(COCCNC(=O)OC(C)(C)C)C(=O)O 2306355387 KHVPOUSCRQWMNE-OAQYLSRUSA-N 445.557 2.432 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)C#Cc1cccc(Br)c1 2313884485 IZABQIDFKDNXPL-AWEZNQCLSA-N 430.320 2.308 30 10 IEEE CC(C)(C)OC(=O)NOCCNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317252781 CCSODNZBZKNMET-UHFFFAOYSA-N 440.277 2.017 30 10 IEEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339578263 DVKZTSLOPJPQMQ-UHFFFAOYSA-N 449.357 2.386 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2ccccc2OC)n1N 21319544 MCHAMLZBVGMENF-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(C)cc2)[C@@H](C#N)C(=O)N3)CC1 72444752 WEWJEOQZYCJENC-IAGOWNOFSA-N 435.484 2.082 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)cc1O 170111976 LSCUTBHOFPOZNP-HXUWFJFHSA-N 440.452 2.269 30 10 IEEE C[C@H](C/C(N)=N/O)NC(=O)c1cc(Br)ccc1I 235415313 XDJAFJLRULAUQO-ZCFIWIBFSA-N 426.052 2.309 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSCC 460803957 OHTLBHRYTLDWNH-JKSUJKDBSA-N 431.628 2.155 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1-c1ccccc1C 477340423 TXHZBRWEECMMSZ-UHFFFAOYSA-N 433.508 2.460 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 487023960 FGIDQVJHNJRHDK-LSDHHAIUSA-N 446.573 2.169 30 10 IEEE CS(=O)(=O)CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 490098804 XXGVEPWNPVDTEQ-AWEZNQCLSA-N 435.365 2.299 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)cc(OC)c1OC 505501731 SNTBJLGTYTWSSQ-APWZRJJASA-N 426.473 2.243 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(Oc2ccc(C#N)cc2)CC1 507820013 YTLZJGHBMIERDG-OAHLLOKOSA-N 428.514 2.076 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 508479455 YMZPRKUOEFIMEC-UHFFFAOYSA-N 431.562 2.370 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)n(-c2ccccc2)c1C 511108173 PHPRTVFOTOXGLA-LJQANCHMSA-N 443.573 2.260 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OCCOC)c1=O 530960636 NFLYBOXSKJRZHY-UHFFFAOYSA-N 426.538 2.217 30 10 IEEE Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546903696 FMTPVTLADHTGSD-UHFFFAOYSA-N 449.540 2.058 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCO2)cc1 549896793 HEFBKRMJOSBNRR-MSOLQXFVSA-N 446.577 2.182 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 558315356 DUZBYVXPVVUGOR-IBGZPJMESA-N 434.562 2.389 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 570025097 BCHBRTAGYBVZSM-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(OC)ncn2)CC1 575809948 SWXUGLDNTKOCIB-UHFFFAOYSA-N 446.515 2.430 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Nc3ccc(OC)c(-n4cnnn4)c3)cc21 586321544 QSWRCFCIGOYKPF-CQSZACIVSA-N 434.456 2.266 30 10 IEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(C)c1 603786108 HGHOMUFUSVMMMP-UHFFFAOYSA-N 447.560 2.253 30 10 IEEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C2CCCCC2)n1 608846124 ADOJOAJWIHDZAW-UHFFFAOYSA-N 441.557 2.486 30 10 IEEE C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 731113348 RZJKIUCIQMSOBL-UHFFFAOYSA-N 444.469 2.145 30 10 IEEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731305828 GTVGCTRDHRFYCD-MRXNPFEDSA-N 430.461 2.238 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@H]3C)n(C3CC3)c2=O)cn1 735067961 BRCIFAHJBFFRFV-DNVCBOLYSA-N 439.585 2.049 30 10 IEEE COc1ccc(COC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1C#N 747038181 XJWFIVITIIPMQD-WUTDNEBXSA-N 433.464 2.413 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(=O)[nH]c21 754707986 ZELWIJJTVKTTEU-WHXUGTBJSA-N 444.495 2.108 30 10 IEEE N#Cc1cc(F)c(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(F)c1 756589988 NBMSOJFTZKQOPV-UHFFFAOYSA-N 427.407 2.414 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 758700974 CWMXIOKMKQLNGA-UVTIVQHFSA-N 427.288 2.243 30 10 IEEE CCc1ccc([C@@]2(CC)NC(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760553129 WEAWTCVEBMGOHU-XMMPIXPASA-N 432.528 2.452 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)n1 760913846 WLPFXWQNFLOJPO-UHFFFAOYSA-N 444.495 2.237 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)O[C@H]3CCN(c4sccc4C#N)C3=O)CC(=O)N2C)cc1 764551001 PBDYIVFLAZHGJC-ZIFCJYIRSA-N 439.493 2.496 30 10 IEEE C[C@H]1C(=NNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC(=O)N1C(=O)OC(C)(C)C 766432783 BHQNHYIGFNNUMC-LBPRGKRZSA-N 439.538 2.482 30 10 IEEE C#CCN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 772259090 YPGRKBQAURZPMJ-CYBMUJFWSA-N 426.416 2.438 30 10 IEEE C=CCN(C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 778554619 UNWMLQFWRBJCSG-HNNXBMFYSA-N 432.608 2.321 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)C1 784667529 PQSSODOTOMHIJM-RTBURBONSA-N 428.537 2.267 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)n1 790118122 PDFAEOUOALUFQD-UHFFFAOYSA-N 429.484 2.332 30 10 IEEE C[C@H](OC(=O)Cn1c(=O)nc(O)c2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 857842787 FBDJHNXEXHMDHN-NSHDSACASA-N 438.465 2.094 30 10 IEEE C=CCc1cc(C(=O)NS(=O)(=O)c2ccsc2C(=O)OC)cc(OC)c1OC 916777230 RNIMIESHLRGRSX-UHFFFAOYSA-N 425.484 2.399 30 10 IEEE N#Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F 1129735473 NYZVPQSIYVTTHJ-GOSISDBHSA-N 432.433 2.075 30 10 IEEE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CC#N)CCC(=O)OC)cc2)cc1 1152129218 YWBQCSZKUUBXGF-UHFFFAOYSA-N 445.497 2.415 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)c1 1155551779 OEXYWOPAFDRDLT-FQEVSTJZSA-N 439.468 2.456 30 10 IEEE N#CCCC[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 1229130756 DPCPSFRNCAYOQM-VQTJNVASSA-N 434.562 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1286274457 NYNYSLFBCLHQLN-IRXDYDNUSA-N 445.589 2.477 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286319334 XUUABWCVFRVOAL-UHFFFAOYSA-N 436.560 2.158 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1286383719 DRZZBGGOPSXDFD-YLJYHZDGSA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1cccnc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 1286396660 WVBZYBLAAFILAS-SFHVURJKSA-N 443.573 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C)c2)C1 1286799772 ACRVLTIICKIUCN-IEBWSBKVSA-N 433.578 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)(F)F)C1 1286804152 JKTYLIPGYSQZEY-AWEZNQCLSA-N 439.438 2.414 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1286806407 VDDFQJODZUJDPV-FCHUYYIVSA-N 436.560 2.445 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)OC)C1 1286809051 GFXDBVJQKSOXRH-HKUYNNGSSA-N 427.553 2.268 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCOC(F)F 1288176419 XDMCHBDWYRHLKV-KRWDZBQOSA-N 448.474 2.495 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)ncc1C#N 1290001393 XGEMMLKGYWYJOT-UHFFFAOYSA-N 449.330 2.171 30 10 IEEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1294658257 OKOMYIKVUWYJIU-DENIHFKCSA-N 448.637 2.432 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 1299973471 RNOACCIRXKDPDI-SFHVURJKSA-N 447.557 2.478 30 10 IEEE COc1ccc(COCCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1300232573 ZGAASAYXWHDGFD-LJQANCHMSA-N 435.488 2.079 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300352276 HXGLVVCNBDOCQK-LJQANCHMSA-N 431.500 2.093 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCc1cn[nH]c1 1300657719 QYQAFGNTWIGZDN-UHFFFAOYSA-N 432.326 2.098 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC[C@H]1OC 1300664925 VXYJBEMUXAGOCA-VQIMIIECSA-N 436.516 2.495 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1300790039 FLVFEADPVBSKRJ-FNVCAUGXSA-N 426.517 2.494 30 10 IEEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300829487 FBWKGZHAYFCPRI-CQSZACIVSA-N 440.729 2.458 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1300900254 OLHFKQOVOQKZPJ-HZPDHXFCSA-N 435.550 2.131 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2C2OCCO2)CC1 1301065168 APAMUWHTAWSURU-INIZCTEOSA-N 447.561 2.138 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1301589286 QAJQVJGSNBNAGP-ZACQAIPSSA-N 426.583 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1csc(CC)n1 1301589629 UZKJLJAGGTUUJE-CQSZACIVSA-N 425.580 2.038 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1301964492 AXANUOQPNWVMSZ-KRWDZBQOSA-N 442.593 2.096 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CC2)nnc1N1CC=C(C(F)(F)F)CC1 1303095852 JSJXBPBYENMEPC-ZCXUNETKSA-N 436.438 2.456 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1303502380 NBFDKNCPZCQLBO-XXBNENTESA-N 446.596 2.310 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(F)c2)CCOC1 1303505044 JGAOQCKIDQQRCO-KNQAVFIVSA-N 429.496 2.429 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@@H](O)C2)CCO1 1316535167 FCMQOFRJKQGCOV-BPLDGKMQSA-N 435.326 2.316 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CCS(C)(=O)=O 1358918697 DDKRDXPDTQUOPG-UHFFFAOYSA-N 431.562 2.432 30 10 IEEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN(C)S(=O)(=O)CC 1358939657 BDRYVCYPGBHFJG-UHFFFAOYSA-N 429.590 2.489 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1358961552 AXUFUPUETLSTQM-IBGZPJMESA-N 443.573 2.404 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1358979563 QLLSEVMNWGVRIA-FQEVSTJZSA-N 442.541 2.078 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCS(=O)(=O)CC1 1358983629 QDIWYLBQMSQTOQ-RTBURBONSA-N 432.590 2.094 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCN1CCN(C(C)=O)CC1 1359017231 XXSXIQTZWJMNEE-UHFFFAOYSA-N 438.551 2.489 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCSC1 1359017533 IMNKZXUGRLBADN-QFIPXVFZSA-N 443.548 2.047 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1359025518 RCALAFZRESIAKW-GOSISDBHSA-N 431.968 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC(F)(F)CO2)CC1 1359043799 JDXJJMFYZPTFFX-QGZVFWFLSA-N 444.486 2.039 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@H](OC)C(F)(F)F)CC1 1359045689 QGNLRGIBTJGYMS-INIZCTEOSA-N 429.487 2.410 30 10 IEEE C#CCN(C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1359871773 QFJRVDZMEZDBPH-QGZVFWFLSA-N 432.542 2.242 30 10 IEEE O=C(NCCS(=O)(=O)CC(F)(F)F)c1nnn(-c2ccccc2F)c1C(F)(F)F 1437457824 ZIIBLKCNDQDAKJ-UHFFFAOYSA-N 448.320 2.132 30 10 IEEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1438314415 ZLHXKFAMXDDSCI-SFHVURJKSA-N 442.493 2.347 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1447860400 DGUKHOHFYMLVDL-JKSUJKDBSA-N 425.526 2.045 30 10 IEEE C#CC[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)OC 1451177334 DHYOWPHUFBXASM-DLBZAZTESA-N 446.504 2.036 30 10 IEEE N#Cc1cnnc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)c1 1458048064 FXUJIGOMRAFUCH-UHFFFAOYSA-N 442.726 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)C1 1463827201 ASTJJUJLVGCNES-FAGJFJLWSA-N 445.520 2.059 30 10 IEEE N#Cc1c(CCCNC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)nn(-c2ccccc2)c1N 1472486080 APNJCNPQTDOQKN-FXAWDEMLSA-N 439.516 2.076 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1475629798 YIRDVRAFHKPKOX-MOPGFXCFSA-N 438.546 2.462 30 10 IEEE CCCN1CC[C@H](Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1500961976 SBXGCTJHNMXCOC-VLCRHTCISA-N 434.560 2.493 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1502238853 HIPLSOKVEATPFJ-HDICACEKSA-N 449.563 2.022 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1504173307 VCRKFXYJLMBCSE-LSDHQDQOSA-N 447.499 2.220 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(=O)(=O)CC 1507517686 RAHQCCCHKPGMDE-HUUCEWRRSA-N 439.969 2.469 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1507582202 DNAFIQKUKNMNFG-KRWDZBQOSA-N 431.500 2.378 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)COCCO1 1507619172 XBCSZUBZRUBEMM-LJQANCHMSA-N 435.322 2.495 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](c1c(F)cccc1F)N(C)C 1507709895 DLZQWVPJAQSCBB-LJQANCHMSA-N 441.486 2.402 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507713945 CPANCCWUFHBJNB-REWPJTCUSA-N 444.507 2.420 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1507762581 WBMTXXDPMRFVFA-HXUWFJFHSA-N 426.912 2.160 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cncn2)C1 1507848009 GDCOMFKYILHFPS-OTWHNJEPSA-N 431.541 2.028 30 10 IEEE CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1513284927 GXNVSLAFUAPXMH-OXQOHEQNSA-N 425.585 2.330 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1514495254 FUBVTOHKULPJRF-IBGZPJMESA-N 447.547 2.126 30 10 IEEE CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1517121238 DRTSRWGRTIVHGV-DRKIFQHWSA-N 438.513 2.116 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1518697535 PKCNSVDRVYSBMS-GOSISDBHSA-N 425.537 2.395 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2=O)cc1Cl 1521127919 BLUSJTLKLXOMHW-SJORKVTESA-N 443.935 2.361 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nccc(Br)c1Cl 1530561678 PHFKINYMPVVRBN-UHFFFAOYSA-N 429.683 2.175 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1Sc1ncccn1 1531187632 ATIAPGDUQCDOQT-UHFFFAOYSA-N 425.495 2.305 30 10 IEEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C[C@@H]12 1532990082 HHTBBSGRMZCTSO-HBMCJLEFSA-N 426.494 2.021 30 10 IEEE CC(C)(C)n1ncc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1I 1535122654 YZKSNRSQYNFQMV-LBPRGKRZSA-N 427.290 2.055 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCC1 1537662437 NJIWYWOLRYTPNQ-OAHLLOKOSA-N 444.598 2.330 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCCc3ccc(N4CCN(C)CC4)cc3)CC2)o1 1538158027 SDRBOFDCBWQEMX-UHFFFAOYSA-N 436.560 2.182 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)O1 1538455434 DJCAWSCAINIVNJ-WJFTUGDTSA-N 439.553 2.385 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1539072472 RSUMNYDSAFBZEH-KRWDZBQOSA-N 430.530 2.349 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H](C)C1 1539180102 WQZJFSDMWNXCIM-OALUTQOASA-N 446.596 2.388 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1539216494 SXLRYTZTPRJSPU-GOSISDBHSA-N 441.557 2.038 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1539611935 FJJAKCYJPBUGAQ-UFYCRDLUSA-N 430.597 2.462 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1539675472 RVSOLVGUMVRACT-QGZVFWFLSA-N 441.285 2.146 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)N(C)C)CC1 1539896061 GMTIBMSWIRYQOU-UHFFFAOYSA-N 449.577 2.160 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1540861904 KYSULWSMBDXXPP-MRXNPFEDSA-N 449.515 2.434 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C)CC1 1540908281 SMORRPOGGRIMDK-IRXDYDNUSA-N 426.583 2.229 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCCC[C@@H]1C)c1cc[nH]n1 1540991135 GFIHVEMVFJSLPX-KRWDZBQOSA-N 441.532 2.384 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541276790 MHERLACXVIQUQA-UHFFFAOYSA-N 447.547 2.029 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc2cccnc12 1541920991 IFBRFYKKOIYIMK-HNNXBMFYSA-N 439.545 2.225 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc3ccccc3n2CC)s1 1542843813 XNNOQPFIHWIWJN-UHFFFAOYSA-N 432.571 2.483 30 10 IEEE COC(=O)CCN(C[C@@H]1CCCO1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1543789678 QDTCEBBSISKUAO-VQFNIZELSA-N 449.548 2.344 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC(O)CC1 1545460453 AQTKTOOPBTYQHS-INIZCTEOSA-N 439.564 2.173 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1 1552886782 AUTKHVBYSBMOTQ-UHFFFAOYSA-N 427.534 2.058 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1nc2cc(OC)ccc2n1C 1555559140 OBXYZNOHCKYRIJ-LJQANCHMSA-N 439.520 2.440 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cc3sc(Br)cc3s2)CC1 1556504375 VPPKBLKXUHKTRX-UHFFFAOYSA-N 426.361 2.233 30 10 IEEE N#Cc1cnn(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)c1N 1557714242 DEKBNLUODZKHKU-UHFFFAOYSA-N 441.900 2.426 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 1559409104 BIZSLGDORLWKNK-UHFFFAOYSA-N 426.226 2.375 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1565063227 KGAANKLERCCJAH-LPHOPBHVSA-N 446.573 2.332 30 10 IEEE COC(=O)c1cccc2c1CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1570666960 RGLUGLXGJSZSGL-HXUWFJFHSA-N 446.463 2.135 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 1583811818 MZXMJZDIPLVVEO-HSALFYBXSA-N 427.501 2.032 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC(=O)NCCC)c1 1587689540 KIGWKAHYFJILDE-UHFFFAOYSA-N 433.516 2.246 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)N1CCOCC1 1587926936 MUBFNQLMNMSGQM-UHFFFAOYSA-N 443.548 2.151 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588039779 FFBUNFMKRUORFV-GOSISDBHSA-N 429.571 2.197 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(C)CCCO2)n1 1588723365 LVPWQPLCHJLRHL-KNQAVFIVSA-N 428.537 2.181 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1593752628 NWRVPVAPELWYOB-WOJBJXKFSA-N 432.613 2.060 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2C2CC2)CC1 1594193459 QQACXUZKKOUBPF-APWZRJJASA-N 436.626 2.308 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1595165284 DZZJOVZALWKTKM-OAQYLSRUSA-N 438.580 2.102 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1595475767 FNJQXQWNQVCVGZ-INIZCTEOSA-N 427.509 2.329 30 10 IEEE C[C@H](Sc1nc(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cs1)C(N)=O 1596671231 HFNFWFUGUWGOPT-ZDUSSCGKSA-N 430.555 2.345 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCOCCS(C)(=O)=O)C1 1611769214 MHBPOQHRBBOPFL-IBGZPJMESA-N 437.591 2.122 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1613594280 FRHKQQRAAQBARM-YQVWRLOYSA-N 431.585 2.046 30 10 IEEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1614504350 BTEPFLFRIYGLLM-GOSISDBHSA-N 439.564 2.128 30 10 IEEE CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1615219010 DAAVIOZRBZBPIX-INIZCTEOSA-N 441.513 2.480 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)NCc3ccc(C(=O)NO)cc3)CCC2)C1 1618007918 QBAVYPVOCUDDPG-HSZRJFAPSA-N 447.532 2.354 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2ccccc21 1619912624 HVVLQFSNGWPWHL-OALUTQOASA-N 443.573 2.277 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2 1624816180 DNPMMXPFJLHTLQ-XLIONFOSSA-N 427.501 2.382 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccc(C#N)cn3)C2)CC1 1626645479 FDJGQUREMGVARH-QGZVFWFLSA-N 442.520 2.276 30 10 IEEE C[C@@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)CCO1 1626948306 NGLIGHFDTAQWME-JOCHJYFZSA-N 446.573 2.216 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1628216898 BZISWSQKSKWALX-CQSZACIVSA-N 445.944 2.035 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)c1 1631210590 SPYYVDJRJXKBQF-HXUWFJFHSA-N 446.500 2.383 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)cc1 1632380879 RPLFXJXVKMBDBC-OAQYLSRUSA-N 443.569 2.090 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccsc3C#N)CC2)cc1C 1632830071 HGDHLHDJPPESIZ-UHFFFAOYSA-N 432.571 2.254 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1641970324 GZJDCCJSFHXQLK-UHFFFAOYSA-N 447.536 2.144 30 10 IEEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)N2 1645515038 XSFBIQFODZYTDM-RTWAWAEBSA-N 432.480 2.383 30 10 IEEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)CC1 1647117707 VXDLMTPJUKWSKI-QHCPKHFHSA-N 434.540 2.253 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC(F)F 1649539767 QTVNDLVRFYNLFK-CYBMUJFWSA-N 440.520 2.286 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)c1 1653361293 RWVPBOWFDFCNBO-UHFFFAOYSA-N 440.529 2.337 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1C)C(=O)OC 1663618543 XJAWQTPSOZTICG-LBPRGKRZSA-N 426.716 2.433 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C(=O)OC 1665501368 SUAGSZBNZPUDMV-ZDUSSCGKSA-N 436.324 2.260 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N(C)CCOCc1ccc(C#N)cc1 1676367607 MQCCYCNPVOOAMT-RTBURBONSA-N 432.521 2.351 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 1681597651 BBQRRXQBZGGVII-ZCNNSNEGSA-N 436.597 2.435 30 10 IEEE CN(c1cccc(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1)S(C)(=O)=O 1685701260 QIODZMLXKFQOSR-FQEVSTJZSA-N 428.514 2.237 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)C1CCOCC1 1687125936 CIADZEGCLDFNDT-MAUKXSAKSA-N 439.350 2.336 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2nnc(C)s2)c1 1689873447 JEGIZCGBNNUYPJ-QGZVFWFLSA-N 437.529 2.394 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689993247 ZCWNOVUYAWNDFC-LEWJYISDSA-N 441.601 2.304 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1690182821 HEONLKJCMKCERH-UHFFFAOYSA-N 439.541 2.485 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1690326030 PVWRUFUKCMNDBD-FQEVSTJZSA-N 438.532 2.295 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1690511797 ANUNAMJPFANOGY-XUVXKRRUSA-N 433.597 2.310 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1 1690622549 RUSPZFKJGSUTIF-WBTXTPOCSA-N 440.610 2.414 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1690669457 FWOAOTPUJBRDIZ-QGZVFWFLSA-N 437.504 2.107 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)c1=O 1695797280 GPGJNFZIPQPUJP-KRWDZBQOSA-N 434.500 2.184 30 10 IEEE CCOc1cc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1696105578 HGHPXNJMPNCOOO-LJQANCHMSA-N 434.500 2.448 30 10 IEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)(C)C 1697152680 HBPKUZLHZNKNFX-PMACEKPBSA-N 440.548 2.219 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1705524412 LMCJVEFWENQODR-WOSRLPQWSA-N 434.393 2.322 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1705611162 RWBHMAPBCFHSPR-JOCHJYFZSA-N 438.557 2.002 30 10 IEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705616920 JNLCYBHBKWBQJX-GOSISDBHSA-N 440.573 2.022 30 10 IEEE C#CCSCCn1c(N2CCC(c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1705665099 JTYQDGXZWFCPJB-NRFANRHFSA-N 446.577 2.372 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1705797273 STEWKBXBCFTVJZ-LWYYNNOASA-N 425.533 2.439 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705808223 DMJQCSZPDWGSSA-FQEVSTJZSA-N 430.597 2.305 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705828167 FJFAUCDUPXNGLW-LJQANCHMSA-N 425.541 2.321 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1705830090 IXRGCUFPFRJLHV-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C1CC1)N(C)C 1705836844 HXNGGKXZLVUGKS-IBGZPJMESA-N 432.594 2.158 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705943884 MSVDSMWDQNFIKV-KRWDZBQOSA-N 449.602 2.188 30 10 IEEE CCN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1710136631 BTRSLKZHWYBXBC-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1711126816 AKPQFILMQXIBOU-PMERELPUSA-N 426.502 2.264 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1712168458 DISZKDWOLVGXGH-OALUTQOASA-N 426.496 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1722282225 XZHNNGUAFUCWCU-XMSQKQJNSA-N 446.573 2.003 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722357233 VGFOHVZUJNSOCR-IAGOWNOFSA-N 444.605 2.227 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC(N)=O 1722542899 AQPKJABREXTNPW-GFCCVEGCSA-N 425.320 2.314 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)CCS(C)(=O)=O 1722707624 UYNAULWJKQCUDM-SFHVURJKSA-N 434.562 2.266 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1722722452 OIXXMGSWRNBMSU-LEWJYISDSA-N 439.516 2.316 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1723523082 ATGGQTCXEHJXOD-JOCHJYFZSA-N 434.552 2.391 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](c3ccsc3)N(C)C)CC2)c1C#N 1725861153 FITHIQIHWRAPMI-IBGZPJMESA-N 439.593 2.191 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1729715079 AVPBZLNALULVPI-CQSZACIVSA-N 435.454 2.026 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1730485211 AIONCQNRIUQKQX-LPHOPBHVSA-N 442.495 2.133 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(O)CCC[C@H]2C)c1 1740565438 VQJKFAOILSDKOM-HXOBKFHXSA-N 425.533 2.422 30 10 IEEE C=C(Cl)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740817377 ZDLDXRIQZMJLKA-FQEVSTJZSA-N 425.961 2.376 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740961330 UGFWSJZORCXXAE-HNNXBMFYSA-N 441.486 2.177 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740962951 UNMWEIDJDIKVSO-UHFFFAOYSA-N 444.609 2.054 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740995029 XYRQEQYRMRQHJZ-CTNGQTDRSA-N 443.617 2.337 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1741001617 ZBOWICHNGLYDBF-MRXNPFEDSA-N 439.545 2.228 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1741114398 VXRJLDYBNBFGAU-OAQYLSRUSA-N 449.559 2.086 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1748791607 XICYERWHDBEBPI-LBPRGKRZSA-N 443.392 2.316 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2)CC1 1748977960 GKKPSAMQGFTWGF-QFIPXVFZSA-N 429.952 2.387 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749253261 YQVVVXOHQZCCLI-OLZOCXBDSA-N 439.866 2.259 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1749681230 YVSABOURIMGBNK-LJQANCHMSA-N 441.463 2.469 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(S(C)(=O)=O)CC2)C1 1749714472 KKUPXHSTPUSZDW-GOSISDBHSA-N 446.573 2.236 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(Cl)c1 1750154583 QZBCYBVUNXMGOU-IPELMVKDSA-N 447.923 2.463 30 10 IEEE Cc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751663692 FCALZMZTWBGJQM-MAVZCGGBSA-N 436.516 2.394 30 10 IEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1760140894 CQGUDDNYRSPERK-QHCPKHFHSA-N 447.587 2.175 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCCN1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760184805 ZCDQNZCVOZNVPX-FQEVSTJZSA-N 441.601 2.481 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1760259877 QXMYTLFHHBNHFS-TZIWHRDSSA-N 427.524 2.454 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCC2)CC1 1760264264 HBGNUZJSQBJTCU-UHFFFAOYSA-N 426.540 2.237 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](CC(N)=O)C1 1760313944 RDGPLZKFLPDMFC-HLIPFELVSA-N 446.596 2.270 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(N)=O)CC1 1760353616 YSYAKORHDMLGPG-UHFFFAOYSA-N 429.521 2.257 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1760524000 MQZOZKGGHRECIS-WOJBJXKFSA-N 425.533 2.442 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1760853737 WPWMZYSREXGKRP-LJQANCHMSA-N 433.520 2.022 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1761362527 CVICSBWBHJZZOZ-WMLDXEAASA-N 427.534 2.038 30 10 IEEE CCC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1763889776 SDJBADALQNBYMP-ZIFCJYIRSA-N 440.552 2.321 30 10 IEEE CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766944466 GIUMHAXIZBIQGA-MOPGFXCFSA-N 428.562 2.181 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H](C)C#N 1768280994 LAYCVZKBSCRECF-MRXNPFEDSA-N 441.561 2.419 30 10 IEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)cn1 1768493411 FHIZEIIEIIMIHU-UHFFFAOYSA-N 444.543 2.418 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccoc1 1770043824 JETMEMDFBDYKCB-KRWDZBQOSA-N 437.504 2.237 30 10 IEEE COC[C@@H](F)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770792136 NLQFLFHFIMIDJI-RDJZCZTQSA-N 428.516 2.297 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCC(=O)N3CCN(C)CC3)ccc21 1850192953 FGEJJDSGKKAIQE-UHFFFAOYSA-N 428.533 2.117 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 1851337976 SPQJAGXJGZPNLG-UHFFFAOYSA-N 430.468 2.146 30 10 IEEE C=CCSc1ncccc1C(=O)N=c1nc(N2CCN(Cc3ccccc3)CC2)[nH][nH]1 1851822549 UEHOQDNKRQCYOK-UHFFFAOYSA-N 435.557 2.474 30 10 IEEE CCOc1nc2ccccc2nc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851938574 QVBBXQDPXNVNFB-UHFFFAOYSA-N 432.484 2.274 30 10 IEEE N#Cc1cc(I)c(NC(=O)C2CS(=O)C2)cc1C(F)(F)F 1852220801 QNNCYVXVBVLJMM-UHFFFAOYSA-N 428.173 2.499 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 1852368253 KUKBAGMSCASULB-VQTJNVASSA-N 435.484 2.132 30 10 IEEE CN(C)c1ccnc(N(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c2ccccc2)c1C#N 1852590885 DBGFKMACTIYTPH-MRXNPFEDSA-N 429.484 2.471 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1852878480 LPEVSGITBAIOKL-HNNXBMFYSA-N 443.504 2.002 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)N=c3ccc(N4CCOCC4)n[nH]3)cc2)c1C(F)(F)F 1853060719 JHBVYGPVKWHLJY-UHFFFAOYSA-N 443.389 2.064 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccnc(Cl)c4)C(=O)C3)C2)s1 1856380104 LODJZSNSGNRVAR-OAHLLOKOSA-N 429.933 2.227 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CC2(COC2)C1 1857003479 ZFWRVINYPZHIKM-KRWDZBQOSA-N 430.526 2.258 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1859011780 PPANJMFITKCGAA-UHFFFAOYSA-N 447.469 2.097 30 10 IEEE CCOC(=O)N1CCN([C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860617028 YIVRZSJGTWKCBM-NRFANRHFSA-N 431.533 2.036 30 10 IEEE CCCCCCCCn1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(O)cc1=O 1870115180 LLBJCGSIFCLIFU-UHFFFAOYSA-N 435.546 2.492 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCCN(C)C 1870501431 KJTOFTPHFCNETL-UHFFFAOYSA-N 439.560 2.387 30 10 IEEE C=CCN1C[C@@H](C(=O)N(CCCn2ccnc2)Cc2cccc(OC)c2OC)CC1=O 1872959311 JSQVXTAFSFQDQI-IBGZPJMESA-N 426.517 2.354 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1O 1874474933 ZVUZSZZULXYJQK-OEAKJJBVSA-N 425.514 2.463 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc(OC)ncn4)CC3)n[nH]2)c1C 1889822832 HQRCBMXUBAIKCO-UHFFFAOYSA-N 436.520 2.227 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC(C#N)CC2)cc1 1892337646 PKIOQRQGXDYQHK-GOSISDBHSA-N 434.518 2.170 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1912687232 JTMDAOYHFXAKTR-UHFFFAOYSA-N 442.144 2.283 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1984785259 XURWBXXJTKTGMS-ZIAGYGMSSA-N 429.514 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060624246 WLCQHPCCUVPYIP-TUBQSGQPSA-N 436.358 2.299 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634353 YPOPGECFZXYFQE-KRWDZBQOSA-N 434.342 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)[C@@H]21 2068906989 FFFUXBSSURJWDB-YESZJQIVSA-N 434.342 2.411 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC(CO)C1 2073620214 SXEANVZRWDSYOD-LRECYKSDSA-N 436.358 2.203 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1 2141668317 RNFMMCOJTSMPHU-ZBFHGGJFSA-N 447.341 2.344 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)C1 2255164874 QKKVAIBDEAUDBQ-OVOLAFONSA-N 441.528 2.139 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630516 LIQQNESOWJZSOV-CQSZACIVSA-N 434.346 2.228 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255698807 LJECOXAOHSKQNA-PBHICJAKSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255803296 MDOPHAOFKIHEQO-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE CC(C)N(CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2255816628 IRPCIHGMLDXTQD-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)n1 2255833079 WXXJVKZNBZDDBQ-ZHACJKMWSA-N 434.346 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2255852220 AVKPXWFQFSERJC-QFIPXVFZSA-N 434.342 2.250 30 10 IEEE CCN(CCCOCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255877381 XDSBTNOOYIGGOW-UHFFFAOYSA-N 428.342 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C[C@H]2C1 2265979744 HECSAUFVAXEGGH-ZWKOTPCHSA-N 445.369 2.453 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094756 APDGVRSGGMMAAK-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267130121 KHDDRDDNMJQKKI-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139451 GPXQRKUPIRUOSR-QFBILLFUSA-N 438.381 2.278 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267172055 SAKNMUWKZDLPIB-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE CC1(C)OB(c2csc(S(=O)(=O)NC3CCC4(CC3)OCCO4)c2)OC1(C)C 2267367597 VXVBYNSHKWAYJB-UHFFFAOYSA-N 429.369 2.011 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2267526565 URDRZAVHYLQKCF-JOCHJYFZSA-N 448.373 2.332 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2268644132 KUDSIJDCIAYYBW-SFHVURJKSA-N 448.369 2.220 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H](Oc3ccccc3)C[C@@H]2C(=O)N2CCCC2)cc1 2297645256 IZZNYGOXEBOMIS-TZIWHRDSSA-N 425.510 2.391 30 10 IEEE CC(=CC(=O)N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331915592 NBCHKBDJEIPKKS-INIZCTEOSA-N 440.525 2.355 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334263996 ZZGXXLXGMNDUKF-ZCCHDVMBSA-N 448.325 2.133 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2337323441 IDYXBSIIFNXWKG-LSDHHAIUSA-N 448.373 2.203 30 10 IEEE COc1ccc(/C=C\C(=O)N[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C(C)C)cc1 98008877 CIBCZTRDGKBJCF-IGGMBJJLSA-N 427.501 2.201 30 10 IEEE C=CCCN1C(=O)[C@@H]2[C@H](c3ccc(-c4ccccc4)cc3)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 248261206 WELUVDLQDCNRRN-UKDJSQQHSA-N 448.475 2.473 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@]3(O)CCN(Cc4ccccc4)C3)cc2C1=O 428974010 ZCYMMZHBCUSWFQ-RUZDIDTESA-N 433.508 2.178 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 437936330 VCPPQJXIAYEPFV-KDURUIRLSA-N 441.576 2.256 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cn1 461318863 TZCHGLDVMCHZJZ-INIZCTEOSA-N 442.526 2.382 30 10 IEEE CC(C)CO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 466713799 QYHYXIYUUSQXBZ-INIZCTEOSA-N 433.534 2.181 30 10 IEEE C[C@H](C(=O)OC(C)(C)C)c1noc(CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 482541410 FZRVDRHAVJSYTR-WFASDCNBSA-N 425.445 2.444 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 488851031 HPJLVXHGIRRDAV-UHFFFAOYSA-N 425.507 2.253 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(OC)c1 490756061 HAUUXSSRRBGVPF-UHFFFAOYSA-N 435.477 2.234 30 10 IEEE CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 511480410 FMBCMSXPOZEXLK-UHFFFAOYSA-N 425.470 2.481 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCCO3)CC2)c1 549854473 KXEQEINVPRYIGA-HXUWFJFHSA-N 430.516 2.036 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 578543669 FRSSRXGBKKGQCC-VBURHUQHSA-N 427.501 2.284 30 10 IEEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F 581850707 CNZQBBOAYRMPDF-UHFFFAOYSA-N 449.357 2.330 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609253934 QNBYZDQOMYUMNG-UHFFFAOYSA-N 437.541 2.034 30 10 IEEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 727548332 SKVGETOOMNNTRQ-HXUWFJFHSA-N 446.467 2.075 30 10 IEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC#Cc3ccccc3Cl)CC2)cn1C 747046482 OIUUOZGLXKCWAC-UHFFFAOYSA-N 435.933 2.378 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 750267484 WSNYSBBGGNCYOR-WELGNANKSA-N 432.546 2.087 30 10 IEEE Cn1cc(N2CCC[C@@H](ON=C(N)c3ccc(CNC(=O)OC(C)(C)C)cc3)C2=O)cn1 769841496 HBEZCEQWKKXJHY-GOSISDBHSA-N 442.520 2.277 30 10 IEEE C#CCN(C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 774044572 AOLILWOEPCMCLO-MRXNPFEDSA-N 427.482 2.232 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)CCN1C1CC1 789490419 CCICWHVJFJNYQF-MRXNPFEDSA-N 427.411 2.289 30 10 IEEE COCCOc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)cc1 789968090 OGXBPKBXCWDENE-GOSISDBHSA-N 442.545 2.332 30 10 IEEE N#CC1CCC(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 799386675 BZISODLDSSBMLR-UHFFFAOYSA-N 425.938 2.421 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 800781911 DDRGLHAHHYPYQY-IBGZPJMESA-N 426.521 2.195 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC=C(c2ccnn2C)CC1 804198881 UBPZCHTZAOMCOC-GOSISDBHSA-N 441.557 2.333 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)NCCN3CCc4ccccc43)C2)c(F)c1 805590560 WPRJQQHLIKTXSM-IBGZPJMESA-N 436.487 2.246 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2C[C@@H]2CCCCO2)CC1 812443587 VKNZTIGKZPDTLB-RBBKRZOGSA-N 449.555 2.489 30 10 IEEE COCc1cnc(C=NNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])s1 814683034 RISZNIUUJGRRNF-UHFFFAOYSA-N 425.492 2.428 30 10 IEEE C#CCN(CC(=O)N[C@H]1CCOc2ccccc21)CC(=O)N[C@@H]1CCOc2ccccc21 914867368 UTVSZYQEJAFMGC-OYRHEFFESA-N 433.508 2.202 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)nc1 1125381644 AEXLEPXFQLXEQZ-UHFFFAOYSA-N 426.274 2.315 30 10 IEEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1=O 1126112155 DRVBTXGOTQLYOW-IBGZPJMESA-N 436.512 2.040 30 10 IEEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 1133544340 WAPVSBPEULOEGI-UHFFFAOYSA-N 435.590 2.498 30 10 IEEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)Cc3cc(C#N)cs3)CC2)c1 1134467653 ATPVUNGDBNZFRK-UHFFFAOYSA-N 432.571 2.039 30 10 IEEE C=CC1(CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CN(C(=O)OC(C)(C)C)C1 1141487128 SKKCQJCPALDSEH-UHFFFAOYSA-N 428.489 2.490 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1141817352 QIJYVEVKRINYIM-UHFFFAOYSA-N 434.587 2.001 30 10 IEEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1171471039 UXJWKVJFUJHVPJ-CYBMUJFWSA-N 442.843 2.261 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 1171919702 GMEHDKQHCRVAHW-UHFFFAOYSA-N 437.424 2.294 30 10 IEEE C#CC[C@H](NCc1ccc(Br)cc1SCCS(C)(=O)=O)C(=O)OC 1182271130 FOWJCPDHBURPMF-AWEZNQCLSA-N 434.377 2.240 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1196072718 ADLWTBOBPJLLHI-JJRVBVJISA-N 447.479 2.238 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1(CC(=O)OCC)CC1 1213711697 LPMCCESAIXSCPX-UHFFFAOYSA-N 428.551 2.137 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)c1ccc(F)cc1 1230478583 KEQPLIMIGFPMMD-OAQYLSRUSA-N 426.467 2.396 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286315531 AKBKCNFXALNZIJ-HXUWFJFHSA-N 445.527 2.387 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1286348599 MHWXCMJKIKDSIN-UHFFFAOYSA-N 444.495 2.475 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1286387045 NCIRDEOQUBAVNA-XGHQBKJUSA-N 431.562 2.248 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 1286437901 NQTZBWLGUGZTCX-KRWDZBQOSA-N 438.557 2.267 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cccc3[nH]ccc23)CC1 1286471999 POHZJLFRJKDAKK-IBGZPJMESA-N 436.560 2.481 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2CCCO)CC1 1286476127 OVLFBQRCSOOOIN-LJQANCHMSA-N 442.995 2.201 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1286500405 XJAVPRLCRNNFNU-UHFFFAOYSA-N 436.585 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286559491 WZADCERRAGLGJR-PXNSSMCTSA-N 439.626 2.366 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1286573152 HRWHAGIFSZELCP-NRFANRHFSA-N 448.593 2.446 30 10 IEEE C=CCn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286777549 FQDWFGKLASTDQC-QFIPXVFZSA-N 427.553 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCCC1 1286814406 RQCIVXSRZADRPN-UHFFFAOYSA-N 432.550 2.297 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1286963322 OYJGDUXWOFLHKD-KDOFPFPSSA-N 432.488 2.077 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1286967628 FTLPZCNRLSVOCJ-ZFWWWQNUSA-N 439.488 2.426 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1287234555 GFTYLJOCJYDIHL-DENIHFKCSA-N 443.573 2.239 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1290624904 GQDBSXNUTIQYKR-LJQANCHMSA-N 445.593 2.095 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCN1CCC[C@H](C)C1 1290865193 MTIHFHCTUBESDU-OALUTQOASA-N 437.596 2.475 30 10 IEEE COC(=O)C[C@H](C)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1294502271 KKBYRCAWDMONKU-KRWDZBQOSA-N 430.354 2.004 30 10 IEEE C#CC[C@H](NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)C(=O)OC 1299177665 ACSCYPLAXIPHQQ-FQEVSTJZSA-N 428.510 2.262 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1 1300118902 KQCVBHHOTNRMHG-DENIHFKCSA-N 429.496 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1300320366 GDOJSUGPNJKEED-FOIQADDNSA-N 435.450 2.309 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 1300483938 NEYRMNXZPMRZOY-UZLBHIALSA-N 428.558 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(C(C)=O)CC1 1300572021 NFSMCRFITOKZMD-UHFFFAOYSA-N 433.512 2.395 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3c(C)cccc23)CC1 1300681582 UQNAQYMOQIMPLU-UHFFFAOYSA-N 433.560 2.204 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300974727 MMMQXQHANBUGTC-AEFFLSMTSA-N 442.476 2.381 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2C)CC1 1301124759 LFTKCGSSGJXXCQ-HXUWFJFHSA-N 445.589 2.370 30 10 IEEE C=CCn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474003 QJJYXIWZEWTFLE-KURKYZTESA-N 434.585 2.392 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(=C)CC1 1301586425 LSWLSMHWADATRV-UHFFFAOYSA-N 426.546 2.274 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1302171702 BLXFEVSOBRZFED-WJOKGBTCSA-N 443.573 2.360 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)Cc1ccc(F)cc1 1304855417 DFNPLFZECKSLEF-UHFFFAOYSA-N 434.523 2.451 30 10 IEEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1=O 1313920105 BKCOHDHQPBKTJP-IBGZPJMESA-N 438.532 2.214 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313953141 BMRXSPNLBYAVTJ-UGKGYDQZSA-N 433.576 2.032 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1314080163 DKIZTTVYNMVUFJ-SBUREZEXSA-N 440.548 2.276 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)c2ccccc2)C1 1316529659 BHTJLUNOPJHHSX-XLIONFOSSA-N 433.509 2.436 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1320192693 RRNUQIHQMACFHE-AUSIDOKSSA-N 433.508 2.303 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1358933478 VHUBTNRTVUDWDE-UHFFFAOYSA-N 440.573 2.146 30 10 IEEE C#CCCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936138 DVGZZFDLPWJFQX-REWPJTCUSA-N 431.581 2.033 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358961903 GWFXZGCAPVXNHO-IAGOWNOFSA-N 449.602 2.236 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1358964789 HMVLLJSUNHDIRQ-LJQANCHMSA-N 427.574 2.493 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966738 VUTYQOVMRFTBEN-RFWXGWTQSA-N 447.649 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cn2ccccc2n1 1358985727 GIIGPSKVCMYNSK-DEOSSOPVSA-N 432.528 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358991208 RGKFRFNUSDFOLM-HXUWFJFHSA-N 430.487 2.286 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccco1)N1CCCC1 1358997507 VQRMVECHNPDDDC-HXUWFJFHSA-N 434.544 2.294 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCC[C@@H]2C)CC1 1359039320 DMLDFGWVMPVCAN-IBGZPJMESA-N 426.540 2.236 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1359055544 HFINFXIXKWZZIU-HXUWFJFHSA-N 449.584 2.477 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1359224606 XDBZXJDPKJPZGA-QFIPXVFZSA-N 427.505 2.229 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1359291466 QSYPEBJAWRXNGM-TUFLPTIASA-N 432.613 2.183 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1359297324 MQDPXLHBXOBUDC-SFHVURJKSA-N 449.559 2.310 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1359318667 JMVCEZSYVULUBP-SFTDATJTSA-N 426.565 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCCCC2)nnc1[C@@]1(OC(C)C)CCOC1 1359335242 FUOFIRCVIXXQRP-HXUWFJFHSA-N 426.583 2.300 30 10 IEEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359344780 IJPIUUCYGQXOMO-UHFFFAOYSA-N 449.646 2.454 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359345462 GXEGIVFAMSGOQD-UONOGXRCSA-N 433.500 2.476 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 1435828071 YLRGAFAAFCBLFH-KRWDZBQOSA-N 435.500 2.261 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1n1cccn1 1436288416 IQGIIOHWUHTYPB-IPMKNSEASA-N 445.545 2.002 30 10 IEEE CO[C@@]1(CO)CCCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1453044725 QHSADCTVDCEUJO-XXBNENTESA-N 429.517 2.392 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OCC 1464256316 KZCLMONRQLNBHF-JTQLQIEISA-N 431.866 2.036 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N(C)CCCC)CC2)s1 1464315782 ZOTSWHAVIKHGDE-UHFFFAOYSA-N 441.619 2.252 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(F)cc(F)c(F)c2F)n1 1492754258 VGFLHMBFFCGWPM-CYBMUJFWSA-N 449.412 2.473 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1494105221 BGCGHRFRVPQGPA-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)OC 1495032398 DIOCOJFJPRBWDX-APWZRJJASA-N 426.521 2.116 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634179 WZMPOLDQBZFOGA-LEWJYISDSA-N 442.585 2.432 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(CC)s2)CC1 1507719271 MGUPYHQTJZWVIE-JOCHJYFZSA-N 429.590 2.358 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1507739861 VRDZBPYZKLXKEY-CEWLAPEOSA-N 443.592 2.343 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCNS(=O)(=O)CC 1507771260 XXPMSNHQZOKBIK-JOCHJYFZSA-N 429.590 2.385 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1507953209 FBYKBQLGKHMWQK-QFBILLFUSA-N 449.577 2.480 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1508072811 SFMBDJVCNBTKMQ-HNNXBMFYSA-N 449.490 2.490 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1508080829 DWNRHTJUWXKLGG-FQEVSTJZSA-N 434.500 2.229 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1508161915 ODHAPKBOLFHYJW-ZDUSSCGKSA-N 445.014 2.123 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(F)CCC2)CCO1 1508376318 NUDVPELFTLEDTR-LJQANCHMSA-N 426.496 2.440 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1516807696 GGOTVYXHAYCOOA-LJQANCHMSA-N 443.573 2.383 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)CC1=O 1519221703 BRFUIGGSTHJERU-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 1527263180 ZPYDXTLWTLFSRZ-QHCPKHFHSA-N 428.452 2.458 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539052781 SMIUHSYLKJUOBR-HKUYNNGSSA-N 446.573 2.392 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1539102571 XSPSZDJLMLAMQN-UHFFFAOYSA-N 443.573 2.067 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)c(OC)c1 1539237735 JREQQIFUEDIIEI-XMMPIXPASA-N 438.528 2.457 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539900886 WGXQTTIIMVKGMZ-HNNXBMFYSA-N 434.566 2.397 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NC)C1 1540894207 SIUFDCNIJYYXQS-SFHVURJKSA-N 437.548 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)C1 1541201887 OWWYBZQIWXHNCB-MSOLQXFVSA-N 448.568 2.284 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)C1 1541995563 QDFXGAXNKYKUGE-QHCPKHFHSA-N 430.516 2.416 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCOC[C@H]1CCOC1 1543309523 WBNPEURTRLZIGK-GOSISDBHSA-N 428.512 2.367 30 10 IEEE CCOCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1548239593 ZCTJMNOFZUBTIU-IBGZPJMESA-N 425.537 2.192 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1555631337 DPSPBIFWBUHMEN-OPAMFIHVSA-N 430.553 2.143 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCN2CCCO)C1 1555985790 ADXFYIYWMLTUDB-REWPJTCUSA-N 426.540 2.352 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](OC)C[C@]1(C)CO 1557919788 XUNYDDCYHYIWHH-SCLBCKFNSA-N 427.295 2.097 30 10 IEEE C#CCN(CC(=O)N1CC(=O)Nc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1560141256 NIGLLJFLPVTVMV-UHFFFAOYSA-N 426.517 2.306 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CO)Cc2ccccc2F)s1 1586292399 PVVQQGCHQDBXNY-LJQANCHMSA-N 426.535 2.004 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1587568145 NQGKYXJGALEGHD-AUSIDOKSSA-N 431.581 2.033 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 1587956502 RORJWYIMBHYADE-KRWDZBQOSA-N 439.497 2.481 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588054284 MYVIZGOMEORZGG-UYAOXDASSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([S@](C)=O)CCC1 1588093315 JLEGMEMBNHUBJR-SANMLTNESA-N 434.363 2.410 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1588386207 NWQALTMASXHHCJ-HXOBKFHXSA-N 447.580 2.392 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](F)COC)CC1 1588962024 ROOZYVSACXZHEA-LJQANCHMSA-N 443.523 2.116 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)CCCS(C)(=O)=O 1589427211 DKNCHNDQVFRSIE-UHFFFAOYSA-N 428.356 2.043 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)O 1595100146 NFFFLEFOGSKPTA-SFHVURJKSA-N 429.546 2.015 30 10 IEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1595906211 ZYIIMVFHEBIQDI-IXDOHACOSA-N 437.610 2.067 30 10 IEEE C=CCCC[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1596244109 LNQAILSPGJWTCH-CVEARBPZSA-N 435.525 2.478 30 10 IEEE CN1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 1609767993 LWJYTAHJDYEPQI-VXKWHMMOSA-N 438.553 2.084 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)s1 1613904064 GEULDGRIHZDBLE-UHFFFAOYSA-N 438.517 2.167 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 1616346071 FKZZIYIMVTYANC-JBCNATCCSA-N 430.464 2.026 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(C)COCCO1 1616960933 RUNYUCXMCHOLKN-KNQAVFIVSA-N 427.505 2.070 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1619392344 GCHWMVJRVSSYRB-QFIPXVFZSA-N 438.532 2.366 30 10 IEEE COc1ccc(NC(=O)CN2CCCc3c(C#N)cccc32)cc1S(=O)(=O)N(C)C 1619791493 AJYKEQLPZFVLON-UHFFFAOYSA-N 428.514 2.208 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)n1 1622097236 SGGMNOJGIWAKEV-UHFFFAOYSA-N 426.445 2.236 30 10 IEEE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)O1 1624379829 FBGMFOSUNRNVER-QFBILLFUSA-N 443.479 2.015 30 10 IEEE N#Cc1ccc([C@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)CCO2)cc1 1626962437 GTRLQHFOKMGEHY-QGZVFWFLSA-N 426.523 2.461 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c1 1628173726 VQUXGXVJMSKVTB-GOSISDBHSA-N 440.443 2.470 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3ccc4c(c3)N(C)C(=O)CO4)c(C#N)c2N)cc1 1629236123 JJKKVIBRKKZIGN-UHFFFAOYSA-N 444.495 2.352 30 10 IEEE Cc1ccc(C(=O)N(C)CCN(C)C2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1632734155 BIFCSEOARIYJKF-UHFFFAOYSA-N 429.414 2.392 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)C2=O)cc1 1635701957 YEKKSIAYKKBFFB-IBGZPJMESA-N 448.414 2.322 30 10 IEEE CC(=O)N[C@H](CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1c(F)cccc1F 1639049405 BKHACRJMIWCUSH-GOSISDBHSA-N 445.422 2.436 30 10 IEEE C=CC1(CC(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)CN(C(=O)OC(C)(C)C)C1 1640381985 CHCCUQSQFDBGIX-UHFFFAOYSA-N 425.507 2.052 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)s1 1642035197 GLDCBDJURIFPQZ-CYBMUJFWSA-N 431.580 2.127 30 10 IEEE O=C(NCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ncccc1O 1648125674 NGJUQFIZTQZLGU-HTQZYQBOSA-N 447.282 2.146 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 1649036120 YPPILBBWGBNQEI-JOCHJYFZSA-N 427.501 2.432 30 10 IEEE CN(C)[S@](C)(=O)=NC(=O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655766455 CYLHZBDYSVCJOQ-JDTVUNMCSA-N 431.349 2.190 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)C1 1666053251 JRXYOFTVTSHOKK-GFCCVEGCSA-N 431.743 2.126 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1678937518 LEAWVMAYLDXJSQ-MAUKXSAKSA-N 430.448 2.350 30 10 IEEE C#CCN(C(=O)NCc1nc(C(F)(F)F)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1680398363 ICVNCSVFGRQCQR-UHFFFAOYSA-N 430.431 2.368 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 1682348587 IFQCNUGLCKAELU-WMZOPIPTSA-N 430.480 2.019 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1684304673 QHVKHQVQQIIPDP-ZDUSSCGKSA-N 434.345 2.048 30 10 IEEE C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1 1685451731 UNNCUAOMMKICOD-RVSPLBMKSA-N 426.336 2.132 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1689937337 XAFIFSSDLRAZRD-UHFFFAOYSA-N 437.504 2.049 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690244210 UYOPZFZYTFJEKD-DYXWJJEUSA-N 441.580 2.263 30 10 IEEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690406651 NKSFSFDCLXVUHM-UHFFFAOYSA-N 446.573 2.296 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)CC1 1690411550 OOYUOPGNULOYOA-GOSISDBHSA-N 449.621 2.422 30 10 IEEE CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1692446260 CYSDHCJJKPWLFC-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE CCCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)o1 1695138247 BHHXXLNPNATLST-HNNXBMFYSA-N 449.581 2.316 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1696982440 PYKPYHRPMWIHRL-GOSISDBHSA-N 438.532 2.322 30 10 IEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(C)=O)C2)cn1 1697445339 BSYZLRCOEWYPKM-FQEVSTJZSA-N 431.500 2.374 30 10 IEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCOC2)CC1 1698488930 MVMNCBMZVNQGEN-GOSISDBHSA-N 439.520 2.109 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCOCC1 1705479838 MLDCJSYFLADOFE-MRXNPFEDSA-N 433.516 2.075 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(S(C)(=O)=O)cc1 1705553939 DTACPOGPSGYOID-UHFFFAOYSA-N 434.525 2.038 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566393 NMVCRWSGYUBNRH-UFYCRDLUSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1C 1705573671 LODLUHRFGMTNOZ-MRXNPFEDSA-N 425.514 2.064 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H]1C(C)C 1705580283 GPNPVKVIERBINB-GCJKJVERSA-N 444.539 2.326 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(NC(=O)OC)c1 1705588110 WFDGMGPIPPSYDB-ICSRJNTNSA-N 437.500 2.302 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ncccc1F 1705590074 AULOBVBBIZLOFB-JOCHJYFZSA-N 427.480 2.006 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCCC1 1705624817 QCMKZANLWLNENR-GOSISDBHSA-N 425.533 2.492 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCO[C@H]2CCOC2)CC1 1705642222 LJJKODPJVCTNPX-QFIPXVFZSA-N 439.560 2.116 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705662116 QOSCPUXRWUTMNX-MRXNPFEDSA-N 434.635 2.152 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705740342 INUVVXLNROIQOV-XUVXKRRUSA-N 449.596 2.131 30 10 IEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C(C)=O)CC2)CC1 1705771015 COAJVWPRCWBEFB-UHFFFAOYSA-N 438.576 2.220 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CC1 1705877987 GUUCXMLSTUMWRC-PMERELPUSA-N 431.562 2.253 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)N(C)C)cc1 1705883755 UMSJTBZXNJVIDK-UHFFFAOYSA-N 438.536 2.459 30 10 IEEE C=CCNC(=O)Cn1c(N2Cc3ccccc3O[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705908073 HDPYNNWPKZCBNW-GAJHUEQPSA-N 441.532 2.020 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705934477 NSALGYBPJUEFFO-UHFFFAOYSA-N 439.582 2.061 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705934511 OJFYGUGGPJHCGF-GASCZTMLSA-N 435.550 2.089 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 1708181539 SICPRMWGUNTBAB-JFIYKMOQSA-N 429.546 2.255 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CCO1 1712302813 AVAMFQJUFNRTKU-DSKINZAPSA-N 441.532 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1722296909 VVTNEXTULZWZLV-HNAYVOBHSA-N 430.530 2.073 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722370209 APJXAAKPZLSKBR-UXHICEINSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@H]1C 1722390680 VWFTTYXHBWDCBL-LJQANCHMSA-N 439.585 2.296 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCc2noc(CC)n2)CC1 1722444900 IAQGVMMCXKVKLU-UHFFFAOYSA-N 447.543 2.407 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722482053 DWHHSRXOYRQRSJ-HNNXBMFYSA-N 434.342 2.116 30 10 IEEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722567399 XCEXBEXXKHLHQT-QGZVFWFLSA-N 433.553 2.446 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1722719559 VXYUTCOKGMCKDG-KVJLEPHUSA-N 430.574 2.490 30 10 IEEE CN(CCCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1729518259 CLVFDHLDJRTGRD-MRXNPFEDSA-N 427.509 2.326 30 10 IEEE CS(=O)(=O)CCOCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1731007391 CAUNWIVBYVQXFG-UHFFFAOYSA-N 449.552 2.199 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1 1731011476 QCMFRCUKVDXUNI-UHFFFAOYSA-N 446.920 2.193 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCCCO)c1 1731182274 XHFJHEAVXGKYFT-FQEVSTJZSA-N 437.573 2.109 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1740556799 GELAQECQKPVVOE-RBUKOAKNSA-N 436.560 2.394 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1740587748 UWXULTNGHUFSAC-UHFFFAOYSA-N 447.543 2.488 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cccc(C)c12 1740640432 MZTBYXHJTGDGAR-LJQANCHMSA-N 435.553 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(C)=O)CC1 1740646682 IDVWDAHRFWAEEA-DEOSSOPVSA-N 441.576 2.040 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](SC)C(C)(C)C)CC1 1740690214 PQTHCZJLUHRJMO-KRWDZBQOSA-N 441.605 2.458 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740722729 IRFJEIBQGTWUFI-GHTZIAJQSA-N 445.593 2.118 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1740756027 DYFNSRXRYCZPLQ-UYAOXDASSA-N 441.580 2.263 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740955816 AHDXGFDFQWSRQL-MRXNPFEDSA-N 426.912 2.371 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2COCCO2)C1 1740978597 YWKUQOHMXWJKGJ-ZWKOTPCHSA-N 430.505 2.159 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1741001532 WXXZMIZFVYLORP-UHFFFAOYSA-N 446.577 2.372 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1741803128 NSUHRPNGPIHNEO-YJBOKZPZSA-N 429.546 2.292 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1747858073 BKACEZWYAHJLEL-HNNXBMFYSA-N 441.513 2.334 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748667079 MXSRRBJTXKZRIP-YESZJQIVSA-N 442.564 2.477 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1748765560 LOTKOYRPMVYGPH-HKUYNNGSSA-N 443.573 2.439 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS1 1748841116 UHCHCMOGFPESSY-INIZCTEOSA-N 428.587 2.207 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(=O)NCC)CCC1 1748891439 WCNFNSSBGOJUNS-UHFFFAOYSA-N 447.539 2.486 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1cccc(C)c1 1748962152 BCGICHFXLQYKQI-AZUAARDMSA-N 430.574 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ncnn2-c2ccccc2)CC1 1749001159 KIRBCYORURPTHQ-UHFFFAOYSA-N 446.559 2.170 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1749032893 TXXSZQRBMULHGW-INIZCTEOSA-N 438.557 2.266 30 10 IEEE C=CCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749439659 FZGVEYRLAKWMJZ-REWPJTCUSA-N 433.597 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749658641 SMNNJORVCWAAGU-UHFFFAOYSA-N 442.951 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1749666605 NQIXNAKEFFPJQW-UHFFFAOYSA-N 435.532 2.176 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1749667202 TZMXHUDACZESBA-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCN(CC)CC1 1760122118 XJZHLZQISGOMIS-UXHICEINSA-N 434.592 2.001 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760138410 XYBFWVKMIYEBLG-MSOLQXFVSA-N 427.553 2.414 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760138513 ZPOVSUMJOXVHHO-GOSISDBHSA-N 425.537 2.019 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1760258702 BFFZRXDDURZJOR-WZONZLPQSA-N 443.979 2.488 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)C1 1760535324 ORWWIGUWUCLFJD-NVXWUHKLSA-N 437.541 2.165 30 10 IEEE CC[C@@H](C)c1nnc(N(CC)Cc2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1763538382 XZDHZAQKUOGHNB-UDJKBAMHSA-N 426.525 2.078 30 10 IEEE CN(c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1766994593 QTCBWNJUNPFJSQ-KRWDZBQOSA-N 425.514 2.200 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccncc4)n3CCCCCCO)CC2)c1 1770740704 MGTASNLPQDBWKN-UHFFFAOYSA-N 446.559 2.410 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCN(CC(F)(F)F)C1 1771281579 MYWNTFDEHOIBRY-YVSFHVDLSA-N 444.502 2.482 30 10 IEEE Cn1nc(-c2ccc(F)cc2)cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852546601 WVDSCGHYYFTJLS-UHFFFAOYSA-N 434.475 2.472 30 10 IEEE Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2nccc(-c3ccccc3)c2C#N)CC1 1853083711 LREWFQUSLIXBSD-UHFFFAOYSA-N 435.509 2.432 30 10 IEEE Cc1ccc(S(=O)(=O)N=C(NOCCCN2CCOCC2)c2ccncc2)c(C)c1 1853582331 XESAKVZNOCXKMY-UHFFFAOYSA-N 432.546 2.077 30 10 IEEE C[C@@]12CCC(=O)N1CCN2C[C@@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1857445511 OMBXBMUWHALSBM-AOMKIAJQSA-N 428.920 2.439 30 10 IEEE CCCCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)CCC#N)CC2)cc1 1858636486 JTPNMKXGHGWAED-UHFFFAOYSA-N 434.606 2.488 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)NC)sc2c1 1866193087 OSGMPJVNZITVSS-ZIAGYGMSSA-N 436.559 2.252 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1868820478 RUCSIQVEQSVUOF-UYAOXDASSA-N 436.549 2.269 30 10 IEEE N#Cc1cccc(C(=O)Nc2nc(N3CCCCCC3)nn2[C@H]2CCS(=O)(=O)C2)c1 1869998194 NQVBDZSJFOWYOE-KRWDZBQOSA-N 428.518 2.142 30 10 IEEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2cc[nH]c2c1)N1C(=O)c2ccccc2C1=O 1870142756 KWQOGGYYIJJWPP-GFCCVEGCSA-N 425.408 2.243 30 10 IEEE C#CC1(Oc2ncnc(I)c2OC)CN(C(=O)OC(C)(C)C)C1 1986458055 AIACAGILMWZMIM-UHFFFAOYSA-N 431.230 2.091 30 10 IEEE C#CC[C@@H]1CN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CCO1 2019036696 CPGJGSVABVVBLN-MOPGFXCFSA-N 430.501 2.264 30 10 IEEE C#CCCN1CC[C@H](NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2083723880 SFQCBQWCVOWVIU-SQJMNOBHSA-N 440.588 2.370 30 10 IEEE CC1(C)OB(c2cncnc2N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)OC1(C)C 2116069115 MPBSUECPXBWPSS-NHCUHLMSSA-N 436.365 2.256 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3C[C@@H]4[C@H](C3)[C@@H]4B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2124521857 LTRXKVAXWIMWMD-PCCRXHMLSA-N 448.369 2.419 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccc(C#N)cn1 2195274947 KPBOJQMGYSHXCE-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)C#Cc2ccccc2Br)C1 2227491167 PCASCAYIVUYKLN-MRXNPFEDSA-N 442.331 2.404 30 10 IEEE CC(C)(C)OC(=O)NC/C=C/C(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2248487103 OEZAZZUCUMRNPK-CMDGGOBGSA-N 437.733 2.476 30 10 IEEE Cc1c(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255531022 AHNMADHYEXHALX-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255632737 QSXQJTABSVYHST-GJZGRUSLSA-N 434.346 2.227 30 10 IEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCONC(=O)OC(C)(C)C 2255815999 XKYJOIUHEXGZCW-UHFFFAOYSA-N 437.346 2.383 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C[C@@H](C)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256597197 DJSCYFMVMCWSGA-DOMZBBRYSA-N 432.330 2.421 30 10 IEEE CC(C)(C)OC(=O)Nc1cccnc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256620334 HFMIALJLHUWJPF-UHFFFAOYSA-N 447.326 2.254 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2256926943 CKKTWTRWCAVSFJ-SUMWQHHRSA-N 446.334 2.231 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267005671 IBTMBZWEKKFADK-HKUYNNGSSA-N 438.381 2.360 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129481 BMXFCRJKXKCFFG-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267138365 UPFXKOWZDUCOIN-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1)C(=O)OC(C)(C)C 2267184863 YCFUWVVZEIJHMD-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267192481 RLJLQJTUQOUTMB-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267280014 MLIUZLDHYZPHIV-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C2CN(C(=O)OC(C)(C)C)C2)CC1 2267599559 RHMPTIJRAPUXAH-UHFFFAOYSA-N 445.369 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268709882 MPGQBDMBGYEPJH-SFHVURJKSA-N 446.353 2.104 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2296228082 VTKIQICMVBFETH-FXAWDEMLSA-N 439.350 2.387 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2300333862 LCVYLYOFSPURKH-AOMKIAJQSA-N 425.363 2.447 30 10 IEEE COC(=O)c1ccc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)cc1 2329322523 BCEZXCABCIYMSE-UHFFFAOYSA-N 439.497 2.241 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCC1(NC(=O)OC(C)(C)C)CC1 2337197933 CZWHMXGNPKRDAJ-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1 90730810 NKTCXWTVMCYALM-UHFFFAOYSA-N 444.509 2.258 30 10 IEEE N#CCC(=O)NCc1ccccc1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 219699687 FSKZQHUXPYHIHW-UHFFFAOYSA-N 449.423 2.140 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2)n1 441801067 ZLWGXJKCRMZPIX-HXUWFJFHSA-N 444.499 2.128 30 10 IEEE CC[C@H]1CN(c2ccccc2)CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 461328253 VXJQGLLLCSPWTG-HKUYNNGSSA-N 426.542 2.352 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 463343941 FSESTOBNMSRLQE-SFHVURJKSA-N 433.580 2.483 30 10 IEEE CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(c2ccccc2)C1=O 488291238 WAIZLJQKHPBXFU-LEWJYISDSA-N 431.496 2.106 30 10 IEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 502983066 JUERDQLYCNLYTM-QHCPKHFHSA-N 444.532 2.283 30 10 IEEE CC(C)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn12 504907250 DVAGXPSMHULZOD-FXAWDEMLSA-N 445.483 2.319 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)OC(C)(C)C3)nnc12 520479264 IYDREOLFJFKNLY-AWEZNQCLSA-N 427.530 2.348 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 549274427 OSMXIUXBTAALHF-UHFFFAOYSA-N 441.536 2.420 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)Nc4ccc5c(c4)OCCO5)no3)cc2C1=O 553719813 VQGVQEMUIVAQAG-UHFFFAOYSA-N 446.419 2.471 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 567294670 ZCQUECKVNPUCMH-HNNXBMFYSA-N 440.483 2.104 30 10 IEEE CCOCCCNC(=O)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673330 AVKXTMOXSFIICS-IFXNMOKESA-N 436.468 2.178 30 10 IEEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C1 603955978 NHKKXAAEXTVNOD-IYBDPMFKSA-N 438.981 2.022 30 10 IEEE N#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(F)c1 609239032 ALZILSKSSWWNJQ-GOSISDBHSA-N 446.504 2.154 30 10 IEEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1F 728934987 NHGNSZODAAVKRP-UHFFFAOYSA-N 438.502 2.333 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2cccnc2)cn1 730144477 NBYUQOKDOKNPOJ-QAPCUYQASA-N 443.577 2.059 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 730776650 KPHXQRCLPZENKB-UHFFFAOYSA-N 442.483 2.184 30 10 IEEE Cc1cc(N2C[C@@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)ccc1Br 732650712 CKAZPKGVNVCZRP-YOEHRIQHSA-N 431.334 2.309 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 733676987 OLEFMRMYFHGOIH-UHFFFAOYSA-N 427.482 2.421 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 733894586 CYVHXQRXDCVQIR-APFMSCDFSA-N 439.447 2.498 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 743202621 MBXPIXVJFVDBCG-UHFFFAOYSA-N 446.504 2.100 30 10 IEEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C)c2=O)c[nH]1 753357768 IUAIIBNEKCSOGE-UHFFFAOYSA-N 435.505 2.050 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760400108 GHYUMCLBMSBHDY-AWEZNQCLSA-N 430.523 2.156 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cc1 768759449 YSPUHAVRAHMPQV-SZLGDNHQSA-N 442.488 2.132 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 771645614 ULNUDBOXYYTFAW-LJQANCHMSA-N 445.516 2.369 30 10 IEEE CC(C)(C)OC(=O)N1CCC(SCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)CC1 778377754 GPXSAOGMXNNXGB-FQEVSTJZSA-N 425.551 2.471 30 10 IEEE COCc1ccccc1S(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 779303767 YYORKHNMHYVGND-UHFFFAOYSA-N 429.498 2.365 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)[C@H](O)c3ccc(C#N)cc3)cn2)CC1 787337070 VCIHFSXYHGGKNE-GOSISDBHSA-N 438.488 2.077 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)n1 789223841 UXAJVPHHLDDMMR-UHFFFAOYSA-N 441.923 2.417 30 10 IEEE CCN(CCCn1c(-c2cnn(C)n2)csc1=Nc1ccccc1C#N)S(C)(=O)=O 803182498 YXGHAUHICQMLGX-UHFFFAOYSA-N 445.574 2.121 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 804459522 ONPLPQSSRICIBX-PMACEKPBSA-N 429.542 2.443 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)COc1ccc(F)cc1Br 916178473 YYAIUGKUNNKGEN-UHFFFAOYSA-N 427.251 2.485 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)s1 1083857866 MRZLJMRVHJZIQD-UHFFFAOYSA-N 433.479 2.304 30 10 IEEE C=CC[C@@]1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCCN1C(=O)OC(C)(C)C 1124724150 JMWGCWYWFOPQPJ-NRFANRHFSA-N 430.509 2.402 30 10 IEEE COC[C@@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCCN1C(=O)OC(C)(C)C 1125383888 XKSYKAOXQAGBDC-HSZRJFAPSA-N 443.548 2.408 30 10 IEEE C=CCN(CCc1ccccc1)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1125571896 RSPADPPFAOSPPM-UHFFFAOYSA-N 435.567 2.376 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)cn1 1140724050 RAUIGSMWPRNZTN-GOSISDBHSA-N 433.468 2.498 30 10 IEEE C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1146424283 KNLNMWXBOUELCK-BZSNNMDCSA-N 425.426 2.286 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1152128869 PJOAVDDHVRHHGI-UHFFFAOYSA-N 443.481 2.219 30 10 IEEE C[C@H](CC(=O)NC1CCC(C)(N2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1155677147 NFJRVWKKPZHYKH-CSZIGFGKSA-N 432.590 2.417 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)s1 1157532472 VCNFREIVKUMXPW-SFHVURJKSA-N 431.539 2.227 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccc(C#N)cc3F)CC1)CCO2 1248651643 PTOFNNVMBSYVPM-JQHMZKTJSA-N 430.480 2.030 30 10 IEEE C#CCC1(NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CCOCC1 1251158308 UNCPZVGZFJYVMM-KRWDZBQOSA-N 449.548 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1286299609 XHDCIOOXHAZVSX-BXTJHSDWSA-N 436.965 2.199 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1286386893 JALSUHCFKTZSQU-QGZVFWFLSA-N 442.932 2.064 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1Cc1cccc(Br)n1 1286399462 HLVXIAHPEPSYNU-OAHLLOKOSA-N 432.322 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1286428995 BTXBJPGJOVORGT-GOSISDBHSA-N 435.553 2.248 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccsc2)N(C)C)CC1 1286481533 FBXMQOKWCJIGFZ-OAQYLSRUSA-N 435.601 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1286494881 VABFEJIIEVAVGJ-AZUAARDMSA-N 436.560 2.045 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1286581646 MOUZHESYBRLESC-IBGZPJMESA-N 449.577 2.070 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(N)=O)CC1 1286604236 QFVLSECWRSCFSO-UHFFFAOYSA-N 427.505 2.358 30 10 IEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286650836 KUYGJRSRFRPZCZ-FKBYEOEOSA-N 446.640 2.432 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H]1CC 1286788297 UIUVIHOSRKFJFB-IEBWSBKVSA-N 438.580 2.379 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286789183 BYCGIDDGEMYFBO-UHFFFAOYSA-N 432.569 2.228 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1287989283 VHTGBWGCCSNLCE-UHFFFAOYSA-N 441.937 2.434 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@H](C)O1 1291278770 BOARASHRDFHWBY-IAGOWNOFSA-N 426.521 2.211 30 10 IEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1297015427 RMENHMLYNMETRO-KDURUIRLSA-N 427.505 2.353 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccccn1 1297715182 CUPQVXLAVXDISF-UHFFFAOYSA-N 440.529 2.195 30 10 IEEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CC(NC(=O)OC(C)(C)C)C1 1298060613 VPFHYHCSXKGBKQ-UHFFFAOYSA-N 436.534 2.006 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1299682458 CSUMMBDXTHUEDP-PMACEKPBSA-N 439.564 2.436 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1300336443 IVSAEJIOQXKKKC-UHFFFAOYSA-N 428.581 2.401 30 10 IEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1300633631 MQWBCVPLDOTWAR-GHVJWSGMSA-N 443.511 2.336 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1300700269 NQFNXJWFKBXAOY-FXAWDEMLSA-N 444.530 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1300723036 PBEPMDFEWNFXKG-UHFFFAOYSA-N 449.559 2.263 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNC(=O)C(C)C)C1 1301546801 UZJXKMHOLJGPOX-SFHVURJKSA-N 441.532 2.270 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1301560404 CHMMBVATOKYJSE-NRFANRHFSA-N 430.512 2.273 30 10 IEEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1302435426 VFTCQNCGROYUFT-UHFFFAOYSA-N 437.548 2.184 30 10 IEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC2=CCCCC2)C1 1302477717 FNZBNMJHQROULS-LJQANCHMSA-N 448.593 2.241 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1302979446 QIAWXFPXALNEIZ-CRAIPNDOSA-N 441.433 2.368 30 10 IEEE CSc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 1303626213 WFGPBEMCNOUPSH-PKOBYXMFSA-N 427.501 2.240 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1304559796 AXSKGGZTNUZQDU-TZIWHRDSSA-N 425.533 2.349 30 10 IEEE Cc1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1304805072 JFFNFVANRVKBMP-ZBBYCGENSA-N 442.545 2.360 30 10 IEEE CCCN(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1306778622 VVUXVLZCSLKHRD-VXPUYCOJSA-N 428.468 2.369 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCn3nc(C(F)(F)F)cc3C2)C1 1312469599 LYMJDHLLJAWCQT-AAEUAGOBSA-N 428.415 2.186 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCN(C(=O)OC)CC1 1316271920 IOJJBMGWNVRKMZ-SZMVWBNQSA-N 434.541 2.219 30 10 IEEE C=CCn1cc(C(=O)N[C@@H](C(=O)OCC)c2c(C)nn(-c3ccc(F)cc3)c2C)nn1 1352324373 ROMWFNREUNJZKP-LJQANCHMSA-N 426.452 2.440 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCCS1(=O)=O 1358873033 BVGARSNMZQRUTH-SFHVURJKSA-N 427.574 2.242 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ncccc1N(C)C 1358979634 SOFZWGRTKIBBLL-JOCHJYFZSA-N 428.496 2.373 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCc1cnc2c(Cl)cnn2c1 1358981157 YVAJAMLHQLDNLF-UHFFFAOYSA-N 430.903 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCC)CCC2)CC1 1359040042 GCNFEHGXKYCUFG-UHFFFAOYSA-N 428.581 2.353 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359228565 GYSLAJMZDYNLHU-WOJBJXKFSA-N 430.553 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(N)=O)cc2)C1 1359324069 CABLKNCKTSKYET-HXUWFJFHSA-N 435.532 2.068 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359340184 DXOGTRFHUFNDTB-KRWDZBQOSA-N 441.561 2.026 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1=O 1360017650 IBLCZEADILXUEP-UHFFFAOYSA-N 432.532 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCN1CCOCC1 1440524459 YRXNASQYWDYKAF-HXUWFJFHSA-N 428.533 2.231 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OCC)C2)s1 1448002349 DHOVZYUZEAFFHI-LSDHHAIUSA-N 443.591 2.128 30 10 IEEE C#CCN(CC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1453812215 KPRYTRWVAYSDHW-MSOLQXFVSA-N 438.908 2.292 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1464702925 RIUFHMAANOTQHL-OPAMFIHVSA-N 432.496 2.106 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 1467292818 KHUZJGSDIYMORF-ZRBLBEILSA-N 434.492 2.183 30 10 IEEE Cc1ccc(C(=O)N2CCC(Oc3ncccc3C)CC2)cc1S(=O)(=O)NCC#N 1467725331 PVLCUVDSXDEDRI-UHFFFAOYSA-N 428.514 2.184 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC1 1470699113 MZJUEUYWWZSHBN-DEOSSOPVSA-N 427.545 2.457 30 10 IEEE N#Cc1csc(CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)n1 1472146136 OXFCMKDZOVJVRZ-UHFFFAOYSA-N 436.234 2.391 30 10 IEEE C#C[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)C1CCOCC1 1479008958 YLNUCBJQYYPJSF-JOCHJYFZSA-N 427.545 2.300 30 10 IEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)n1 1492531571 FUNTXUKEQSBUNG-UHFFFAOYSA-N 445.527 2.377 30 10 IEEE C[C@H]1CCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1493843046 ABCGKVVGPQFVIF-PXNSSMCTSA-N 442.589 2.173 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507590631 FOJFPBHIQFDYNO-ROUUACIJSA-N 444.580 2.473 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633279 RRGDEONCVXCKMF-DFQSSKMNSA-N 428.558 2.212 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN(C)C(C)C)CC1 1507719860 BLXYXMAUCLKIDE-UHFFFAOYSA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)COCC)CC1 1507722963 PSRLZHMJWFOTNR-UHFFFAOYSA-N 425.533 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2[C@@H]2C[C@H]2CF)CC1 1507739371 ARHOKEQKNGJSJB-FXAWDEMLSA-N 441.507 2.362 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1507751850 SAWKYPFHHPBXJP-IBGZPJMESA-N 431.606 2.377 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1COCCO1 1507817306 PGZCRFPHGICDBO-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507840586 NBRVKYIJTAJCPI-SFHVURJKSA-N 433.578 2.303 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508132331 WZXFBDYUEFPWLK-ROUUACIJSA-N 439.626 2.082 30 10 IEEE CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514819112 QBBPBHNPHLPAKI-MSOLQXFVSA-N 445.568 2.173 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CCOCC(F)F)c1 1521083212 VJNKPTIYJTZHEW-UHFFFAOYSA-N 433.459 2.484 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)CC1 1521144240 WLBNMOYTCJRQSD-UHFFFAOYSA-N 443.939 2.372 30 10 IEEE COC(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1 1527273464 CLRJGJJHGRTKNH-NMWGTECJSA-N 429.498 2.467 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1531937212 VFAPYIVYONUUSB-CYBMUJFWSA-N 443.681 2.236 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1Br 1533664566 MLFUCYLJLYGIQA-KRWDZBQOSA-N 435.299 2.485 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CCOC[C@H]1OC 1534049525 CCGWHMKEXURLIA-XJKSGUPXSA-N 427.295 2.266 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1537470975 CQACKICFPMKSSM-HMQMGEFJSA-N 427.567 2.436 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1539312502 RIDLXMNDWSZFSE-UHFFFAOYSA-N 445.474 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC=CCO1 1539323944 MTUKCVNQKAGNNY-NRFANRHFSA-N 431.544 2.260 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1539445914 KJLJODXIDDMOJD-UHFFFAOYSA-N 443.555 2.202 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCOC)CC1 1539592313 BSKSLOLBOPHRNX-UHFFFAOYSA-N 425.331 2.219 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1540869907 AGWDBNYBQAGYMC-GOSISDBHSA-N 428.493 2.409 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 1541072798 OMYGKBOAGANRDS-KHPPLWFESA-N 442.537 2.212 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCSC2)CCOC1 1541728939 QNPOOVVEHGTPOS-QHAWAJNXSA-N 435.594 2.317 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCCCC2)CCOC1 1541733013 KGIHIFQZEJCBEK-XXBNENTESA-N 446.596 2.312 30 10 IEEE Cc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)c2ccccc2n1 1542183647 ADPHMVOHBYJDDT-GOSISDBHSA-N 435.532 2.109 30 10 IEEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1)OC 1555248831 FRVLKLOYOVOCNT-OAHLLOKOSA-N 437.342 2.447 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2csc(I)n2)[C@H](C#N)C1 1556132580 OVVBWFPSCNPRKD-RKDXNWHRSA-N 448.286 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](F)C1 1558867808 IWPRFOIUBYLQBE-IAGOWNOFSA-N 428.468 2.403 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1561828861 BTIOXCYIGXLRGO-IAGOWNOFSA-N 428.938 2.372 30 10 IEEE CN1CCC(N2CC[C@@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)CC1 1565684665 YZHDUAMWLSQEGP-GIIQAUJJSA-N 445.608 2.058 30 10 IEEE COC(=O)Cc1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]c2ccccc12 1568505031 LPNUGMISHNEXFJ-FQEVSTJZSA-N 430.464 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)c3cc4ccccc4n3CC#N)nn2)C1 1584047461 TVGMSCOHMPIIRC-UHFFFAOYSA-N 435.488 2.478 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1587812930 FBOKBCDKGMBPIB-QGZVFWFLSA-N 434.610 2.419 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587994822 SUVIUCNLIXDVRD-HXUWFJFHSA-N 444.530 2.159 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588065159 VMTNGBRDLVOESQ-SFHLNBCPSA-N 447.649 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1588214268 OJNLWMNIPGZLDM-JOCHJYFZSA-N 428.540 2.351 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(OC)CCC(C)CC2)CC1 1588864304 CCVWWXXHYOFGNB-UHFFFAOYSA-N 439.608 2.490 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2nnc(C)s2)CC1 1588871415 CLJVFWTYMVPOCU-UHFFFAOYSA-N 437.573 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCNC(=O)C2CCC2)CC1 1588891699 SCZSAYVFJAQCOU-KRWDZBQOSA-N 428.581 2.064 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)cc1 1595032398 VREAVNOIOSFCNB-VBKZILBWSA-N 434.514 2.020 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)C1 1595714126 KJFHIVVFYXISST-HZPDHXFCSA-N 448.474 2.098 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1ccc(F)cc1 1596814138 SOUCINXHVOWJDY-CYBMUJFWSA-N 439.451 2.379 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1611740668 KBBZZLHLIPMQNJ-QGTPRVQTSA-N 442.495 2.201 30 10 IEEE CCCNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1614959749 AFFGKCVEGDQEOQ-UHFFFAOYSA-N 446.559 2.398 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1615269704 IPTUWIBTGUMCRJ-QURGRASLSA-N 449.515 2.490 30 10 IEEE Cc1c(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cnn1CCC#N 1617726853 FVQMAEZZASTVOY-JQWIXIFHSA-N 425.333 2.319 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1619844770 CAUTXWTZTPVGIN-XLIONFOSSA-N 440.548 2.221 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCN(c3ccccc3C#N)CC2)C1 1627568733 KQGRETMXDCYOJG-YADARESESA-N 440.544 2.480 30 10 IEEE CCCCN(C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)[C@H]1CCc2ncsc2C1 1628462101 HLNGRUYUOMSLSZ-AWEZNQCLSA-N 433.534 2.336 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1629027543 AZQQGXFGUKGTAM-OAHLLOKOSA-N 433.509 2.002 30 10 IEEE C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1nnc(O)n1C 1631466305 DNLKITBCPZUKBJ-LRDDRELGSA-N 426.477 2.104 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(CC#N)CC1 1633568304 NQLUFQMCPFSJAL-NRFANRHFSA-N 443.592 2.363 30 10 IEEE CC(C)(C)OC(=O)N1CCOc2c(Br)cc(C(=O)N[C@H](C#N)CO)cc2C1 1635481046 MVQWTRKTHGDHTI-CYBMUJFWSA-N 440.294 2.193 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)CC2)c1 1636586046 GNNFVDMNLHAEDJ-QGZVFWFLSA-N 437.466 2.233 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCCCS(C)(=O)=O)C2)C1 1639051274 DCHAWMZSTAGZLH-LFDOHDQPSA-N 427.567 2.104 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3C[C@H](N(C)C)C3(C)C)nnc12 1641661354 UFVXMQRYUFSHPH-SJORKVTESA-N 440.573 2.167 30 10 IEEE C=C(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OC 1642698247 NZVALANLVPHQDS-IRLDBZIGSA-N 449.507 2.124 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1644583379 MZVOTKGUGKDBSV-NQIIRXRSSA-N 445.516 2.290 30 10 IEEE C#CCC1(NC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CCOCC1 1644927118 OXMIGKAFMQEORK-UHFFFAOYSA-N 429.542 2.103 30 10 IEEE C[C@]1([C@@H]2CCCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)COC(=O)N1 1652122213 PQACNRPZDWLTIP-FOIQADDNSA-N 447.333 2.494 30 10 IEEE C#CCC1(O)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CC1 1687576240 DKPDXMZBZADVMP-SFHVURJKSA-N 435.565 2.352 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2ccn(C)n2)c1 1689870656 VUVASCVMLFMJRP-UHFFFAOYSA-N 440.511 2.487 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1689984298 NBPFCCWELBNEAC-SFHVURJKSA-N 446.598 2.500 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNS(C)(=O)=O 1690007640 GXAPIQYQWXBIIR-UHFFFAOYSA-N 427.574 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C1CC1 1690035933 ORDVWMVWZBEDHG-UHFFFAOYSA-N 443.349 2.035 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(C)c1C 1690559233 BPBHMSQWQLNBMK-HXUWFJFHSA-N 430.516 2.384 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC(C)(C)[C@H]1C 1690665357 AOAAKYUVOJMHPP-OAHLLOKOSA-N 427.505 2.022 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1690671350 UKRHWXCMOVWDPZ-PZJWPPBQSA-N 438.576 2.185 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1690681641 WGHZRKUFUNJRTJ-HXUWFJFHSA-N 441.532 2.213 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nccnc2C)C1 1690688354 UCRKVZSTHNJGDB-XXBNENTESA-N 442.564 2.441 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1691003392 GRHKVZOHFQYYSL-WBVHZDCISA-N 446.506 2.472 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1691555072 CTZZHNUGXUOWGM-QHCPKHFHSA-N 432.532 2.340 30 10 IEEE Cc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)s1 1693334609 CNPRBRXTLYOYGW-HNAYVOBHSA-N 434.591 2.432 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1695495920 ANLJVPWAAWDMMX-UZUQRXQVSA-N 438.532 2.069 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697212483 HFCJDZMAFUKALI-RWZBUPDWSA-N 444.536 2.051 30 10 IEEE COCCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1698111502 FULBQLYGFDVHQQ-UHFFFAOYSA-N 440.479 2.278 30 10 IEEE C#CCCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705521911 PHGRUNGLCKRGSU-WIYYLYMNSA-N 438.594 2.136 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563751 DSNMUAGUHYFUIA-IBGZPJMESA-N 443.573 2.174 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705564122 LQYGRJFCTXZFTD-FQEVSTJZSA-N 443.573 2.174 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CC=CCC1 1705572856 QVTFDWJPNLDRJA-UHFFFAOYSA-N 436.947 2.196 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)[C@@H](C)CC 1705582261 XBXIKOFYNTWLGC-YADARESESA-N 435.576 2.322 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705661342 ZFEOHBKZICMJHC-OAQYLSRUSA-N 431.512 2.372 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705663256 BCJHALGNZKHPDR-IBGZPJMESA-N 448.614 2.062 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)C1 1705703644 VQMUHUSMVYYXKU-VFNWGFHPSA-N 431.487 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CC)C1 1705931733 YQVRQTWCKVOGPA-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1cccs1 1705938265 SRYBQUMXSDCGIJ-MRXNPFEDSA-N 449.602 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(=O)CCC)CC2)nnc1C(C)(C)C 1705938561 CHLLIPYLEMVYJW-UHFFFAOYSA-N 425.599 2.062 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1706169337 MOIYKGSVKYGEFI-HDICACEKSA-N 440.504 2.293 30 10 IEEE CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1709950801 UMEHLUPHUONGPK-OAHLLOKOSA-N 426.502 2.175 30 10 IEEE CCn1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CCC(C)C)c1=O 1710191527 COYSMUJGRLTSIR-SFHVURJKSA-N 425.537 2.225 30 10 IEEE CN(CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1)CC(F)(F)F 1711209448 PSMYZALPKUQERV-UHFFFAOYSA-N 446.437 2.302 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722336104 HAUARTIEEBNWJG-UHFFFAOYSA-N 440.567 2.412 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1conc1COC 1722427152 PXVXBTTVCPCONB-HXUWFJFHSA-N 439.472 2.059 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)c2ccccc2)CC1 1722436708 DFMNMYHMNRHBIG-FPOVZHCZSA-N 441.601 2.129 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[C@H]2OC)CC1 1722442103 SNWGWFGINFSLTE-WOJBJXKFSA-N 439.560 2.436 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1722456459 ZNWSDBGIYPBBMD-UHFFFAOYSA-N 440.602 2.447 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1722460512 XVBTYLBAOVOHRH-HOTGVXAUSA-N 428.649 2.269 30 10 IEEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1722540523 FWWRGTOVLRNKSG-UHFFFAOYSA-N 447.543 2.160 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722620781 UNECSPNQZAFYGE-LJQANCHMSA-N 446.563 2.483 30 10 IEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1722740389 SVRHDLIQVNAXID-GOSISDBHSA-N 433.553 2.436 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1724001762 AQLFTJWZJFSVCH-JOCHJYFZSA-N 429.488 2.100 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1724010765 MJDJOWIOKORFDN-JTSKRJEESA-N 439.495 2.126 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)c1 1724267105 GNJBRCNLARDHPE-GOSISDBHSA-N 446.577 2.248 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCCO1 1740540523 WEJJVOHIPVXMKC-IIBYNOLFSA-N 431.562 2.222 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCC(OC)CC1 1740563743 WHXOYIUGBQCCSA-BJLQDIEVSA-N 433.597 2.349 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1740618122 CMMDBJARPUKZBV-INIZCTEOSA-N 443.529 2.380 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740636424 ZEZZAQQACPUHNV-NZQKXSOJSA-N 430.516 2.341 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H](C)CN1CCN(CC)CC1 1740641397 JTGSCXTYAWUUFG-OAQYLSRUSA-N 436.579 2.354 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)C)CC1 1740789686 IFDIBTLYVKFPAA-UHFFFAOYSA-N 437.552 2.044 30 10 IEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1740823234 ASOYYFPBMAMUPD-IRXDYDNUSA-N 447.502 2.422 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740873179 JVKPRTCMMAEHSJ-SFHVURJKSA-N 440.596 2.214 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740881101 XFXOJJFUWRZXQC-CQSZACIVSA-N 440.426 2.286 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCc2n[nH]c(C)n2)C1 1740985856 UYTQDEJGJYFNGM-INIZCTEOSA-N 427.484 2.447 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1741127418 BILIPEPETXCYJG-AWEZNQCLSA-N 437.953 2.134 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)cs1 1742589214 BQIKMKMGFJAUDN-INIZCTEOSA-N 437.520 2.092 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1743898029 SHQASZXOUCLMKH-GJZGRUSLSA-N 432.475 2.181 30 10 IEEE CCOCc1nnc(N(C)Cc2cc(Cl)ccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747028006 KAJWNGPJODBGSS-VHEBQXMUSA-N 445.911 2.026 30 10 IEEE CO[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1748442172 HJNHJDQIGGPBRT-LJQANCHMSA-N 428.585 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1748641412 GQQBIIUOSQCKJW-HUUCEWRRSA-N 425.468 2.168 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CCCO 1748657421 AXRLPINTGVMVOC-IEBWSBKVSA-N 425.533 2.021 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1748816971 BPUBLOIIBPRREO-LBPRGKRZSA-N 447.508 2.185 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1748956813 KGRKAAWCFBNIDE-UHFFFAOYSA-N 439.541 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccccc2C)CC1 1749014021 BTWVFGHBMLKZQF-HXUWFJFHSA-N 437.544 2.135 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1749154359 QDOBMVOLQGFKCU-WAIKUNEKSA-N 438.532 2.134 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749232452 LIMLVGNBBSPJLQ-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1749547223 LNRPXNLJWMNYRD-HKUYNNGSSA-N 429.496 2.366 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNC(=O)C(C)C 1749659984 LIOVKBJMYNZNGM-UHFFFAOYSA-N 435.532 2.004 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ncn(C)n2)CC1 1760256910 LPGJQJMVGOTESQ-INIZCTEOSA-N 440.939 2.004 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@]1(OC(C)C)CCOC1 1760327832 MOTYCKRXDOYAFK-GBPOLFSSSA-N 449.596 2.118 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)CN2CCOCC2)CC1 1760391738 PFPMZSJOEWLCPR-SFHVURJKSA-N 444.605 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760556413 CQNJTDRJBVTIEE-OALUTQOASA-N 431.562 2.013 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1763038003 APBZCFFRWVHKGI-MRXNPFEDSA-N 426.521 2.211 30 10 IEEE COCCCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1769746250 CJLOZHYBPVGZPF-JOCHJYFZSA-N 448.527 2.456 30 10 IEEE CS(=O)(=O)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1771354111 GLWHMTDAQONMEB-HXUWFJFHSA-N 430.509 2.227 30 10 IEEE CSCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771469236 QJYVKUMQAYEPLV-LJQANCHMSA-N 428.610 2.460 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1772566884 DQVKAJZOYUWXLF-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=CCN(C(=O)c1cn(-c2cc(-c3nc(CCC)no3)ccn2)cn1)[C@H]1CCN(C)C1=O 1850409506 BMZXTCNFDZVEKS-KRWDZBQOSA-N 435.488 2.129 30 10 IEEE COCc1c(C(=O)N2CCC(N3CCC(C#N)CC3)CC2)nnn1-c1ccccc1F 1850718554 SRYSPYXIPLSHMV-UHFFFAOYSA-N 426.496 2.393 30 10 IEEE Cc1ccc(=O)n(CCNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)n1 1850804080 RGKFNVWCVBYYNA-UHFFFAOYSA-N 434.475 2.144 30 10 IEEE N#Cc1c(NC(=O)c2cc(Br)cnc2N2CCOCC2)nc2n1CCCC2 1851928580 HDQJVDATFOHJDT-UHFFFAOYSA-N 431.294 2.337 30 10 IEEE C=CCC1(S(=O)(=O)N(Cc2ccc(F)nc2)[C@@H]2CCCN(c3ncc[nH]c3=O)C2)CC1 1853515813 KOSFXVSDBGBVLC-QGZVFWFLSA-N 447.536 2.214 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccnn1C 1854569823 QHFAWERUENIJJX-INIZCTEOSA-N 428.514 2.269 30 10 IEEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1=O 1857485925 TWXDTRDJGZSCDY-QZTJIDSGSA-N 439.965 2.129 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862180663 SCAFPYNVXXYPHU-MJGOQNOKSA-N 441.528 2.312 30 10 IEEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccccc2F)C1=O 1863288544 UALBUWXUHJADJU-UHFFFAOYSA-N 443.456 2.029 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(C(C)=O)c2)cn1CCO 1870647898 RDFAIDFROAPKLP-UHFFFAOYSA-N 439.512 2.235 30 10 IEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873561662 UOXYQVMWGGIOHH-IAGOWNOFSA-N 441.532 2.210 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874280465 SSAQFLXXBPQKLN-VPNURPJOSA-N 433.534 2.160 30 10 IEEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2/N=C/c2cccn2C)cc1 1874431215 GTMDFISZNOXIFX-FSJBWODESA-N 439.545 2.428 30 10 IEEE CC(C)(C)Cc1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874439109 KFTAUTMOOCQSQM-AWQFTUOYSA-N 434.478 2.006 30 10 IEEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OCC(N)=O 1874639616 ICVKTELWHDEYKC-SOFGYWHQSA-N 431.441 2.490 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)n[nH]2)c1C 1891568105 IZGOCMDVGQGQIR-MRXNPFEDSA-N 446.577 2.153 30 10 IEEE C=CCN(CC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1988632353 QDCGIJYGZXETQD-UHFFFAOYSA-N 427.542 2.288 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060727748 HSNJOCNRUSXPJW-QHAWAJNXSA-N 442.560 2.495 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068910783 FWKDSFDYILGLHR-WBVHZDCISA-N 436.358 2.394 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cc1 2174786654 LVPNKCOLHIIKMK-VQTJNVASSA-N 429.498 2.062 30 10 IEEE Cc1cnc(NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224098676 YHGYSSKPMXBQQZ-JOCHJYFZSA-N 433.358 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CO 2224102751 PMDBCNHDWUUXAB-NVXWUHKLSA-N 433.358 2.093 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)COC1 2247774205 USHGHWFJNFWYOJ-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCCN(Cc2ccccc2)C1 2249684095 DDEFUXCVYOLCFW-YKSBVNFPSA-N 429.561 2.389 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256911480 BWGWKDOCCZVKBW-XJKSGUPXSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2266988265 MRISCACQZUIBPB-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267003311 NAHZZMHWWLCBKX-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)C2 2267090850 FYCIUGFTVLPGRG-KBPBESRZSA-N 447.345 2.127 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)n1 2267149969 RJEZEYIBCMHHBC-UHFFFAOYSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267508321 CTBRQRDZLKUVLX-UHFFFAOYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268648046 VHEWYEXWIMILQI-HZPDHXFCSA-N 447.341 2.080 30 10 IEEE C[C@H]1CC[C@@H](C2OCCO2)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282502337 JTCBJTJWYXUGQW-ZFWWWQNUSA-N 443.396 2.209 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1OC 2296943265 WEJCWXYUYOUUFG-SFHVURJKSA-N 433.482 2.196 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@](CNC(=O)OC(C)(C)C)(COCC)C(=O)O 2306352649 SFGHGAJVIKEAMS-NRFANRHFSA-N 445.557 2.432 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)n1 2315389740 GKDGGXBUKFBYER-KRWDZBQOSA-N 433.358 2.107 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccccc2O)cc1OC 2326737768 VXZJADFTSMCSLH-UHFFFAOYSA-N 427.486 2.051 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2327379312 BQLZVNZLWZMOFT-UHFFFAOYSA-N 432.286 2.001 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)cc1 2327880736 LPDKPISCRQQJRQ-AWEZNQCLSA-N 431.518 2.245 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(N(C)C)cc2)CC1=O 2329045348 OBJORTRFFFCTCP-KRWDZBQOSA-N 430.578 2.425 30 10 IEEE COc1cc(NC(=O)c2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc(OC)c1 9530008 BBSIOWPKQSSQSS-MSOLQXFVSA-N 447.538 2.446 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1OC 59015977 AJESTEJFWKNTQM-FSJBWODESA-N 441.517 2.114 30 10 IEEE CCOc1c(Br)cc(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1OC 103604765 WPMJTOORCCIACI-XAXWUXFESA-N 430.280 2.253 30 10 IEEE CCOC(=O)c1sc(NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C)nc1C 136730667 NZIRNWCWBUFCAM-UHFFFAOYSA-N 433.515 2.013 30 10 IEEE O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2)c1ccccc1 137149075 RXCMKUGVRHFVTE-DJCGZYENSA-N 430.507 2.326 30 10 IEEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc(Cl)c1OC 169907760 NWARQGQLEXFSKZ-DJKKODMXSA-N 425.850 2.494 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 430111556 SARNUQVTLCFZBZ-JOCHJYFZSA-N 439.537 2.485 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@@H]2CCCO2)cc1 462427403 LIRYXCVKNUNDNA-IBGZPJMESA-N 431.517 2.178 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccc(OC)n3)nnc12 498041079 GSLCGYDOYDAYTM-UHFFFAOYSA-N 436.497 2.042 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2ccc(I)cc2Cl)CC1 503892681 MQAZZXRWJHUUJW-UHFFFAOYSA-N 433.721 2.364 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 508462064 RYAQLCJMMVYRHB-UHFFFAOYSA-N 435.532 2.214 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 508812470 WMBXKHZNHXWBEZ-KRWDZBQOSA-N 431.562 2.276 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 520461638 OBLABSLBYKMLDE-YOEHRIQHSA-N 435.550 2.433 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@H]3CN(Cc4ccccc4)CCO3)cc2C1=O 525468240 PSOUGFFLSALJRA-VGOFRKELSA-N 433.508 2.488 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cnn4cc(Br)cnc34)CC2)c(F)c1 536686859 SJEOTPWJHACYIN-UHFFFAOYSA-N 429.253 2.465 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 543888519 QJRYLFDZICRJOV-UHFFFAOYSA-N 441.923 2.169 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H](Cc3cccnc3)NC(=O)c3ccccc3)CC2)n1 545491009 YBYDUXQMCYKCTK-JOCHJYFZSA-N 440.507 2.038 30 10 IEEE COC(=O)c1ccc([C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(F)(F)F)cc1 548175335 ZXLUBLKGRGUXBM-HNNXBMFYSA-N 438.410 2.528 30 10 IEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 549641582 SDRBNJGBIBZQMQ-UHFFFAOYSA-N 436.560 2.290 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cc(OC)ccc2OC)CC1 549643986 AXANAFHNHMWYIF-NRFANRHFSA-N 443.548 2.282 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 551782327 ICCBYLGZPUCUKO-UHFFFAOYSA-N 430.867 2.324 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN([C@H](C#N)c3ccccc3)CC1)CC2 552799956 JFUYUTHLKATTEH-JOCHJYFZSA-N 434.540 2.471 30 10 IEEE COc1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CC2)ncn1 577044307 LGPBJWQNDDWQCE-IBGZPJMESA-N 446.515 2.121 30 10 IEEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)ccc1C#N 578376752 SBXGTVFAQGGHEV-OAHLLOKOSA-N 430.530 2.256 30 10 IEEE COCC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 582869777 JLZBRXDNNAQMJL-JOCHJYFZSA-N 427.526 2.482 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 586859763 IFPHNCZEFLWXBG-INIZCTEOSA-N 445.292 2.471 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 588289746 PJNKAHMTPCKYIX-CQSZACIVSA-N 428.518 2.322 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCn2cnc3c(F)cc(Br)cc3c2=O)nc1 589059334 IZEAFZDUSRUAFS-UHFFFAOYSA-N 437.250 2.039 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609029544 JGYSNCNHDFCBSR-KXBFYZLASA-N 440.573 2.323 30 10 IEEE CCc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609903489 RBFCERPRDDOBJV-UHFFFAOYSA-N 426.542 2.379 30 10 IEEE N#Cc1ccc(OC2CCN([C@H]3CC(=O)N(Cc4ccc(C(=O)O)cc4)C3=O)CC2)cc1 610259395 WUVOVZAQNMCXEK-NRFANRHFSA-N 433.464 2.427 30 10 IEEE CCn1nc2c(cc1=O)CN(C(=O)C1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CC2 610636357 XGHBMWJDERKPGJ-UHFFFAOYSA-N 448.483 2.184 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 619817994 IGVGJWPKSXMCST-UHFFFAOYSA-N 429.528 2.075 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)cc1 728153552 FBLZYVNHWFIJKA-UHFFFAOYSA-N 432.465 2.184 30 10 IEEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730140205 DWIMGTDRQORAFS-HKUYNNGSSA-N 432.590 2.482 30 10 IEEE CCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cccc(O)c1Cl 735664055 FKJTXJYHFLBIFY-UHFFFAOYSA-O 428.943 2.337 30 10 IEEE COC(=O)C1=C(C(=O)c2ccncc2)[C@@H](c2cnc(-c3ccccn3)s2)NC(=S)N1 753385344 UCFXHFCTTUDCCC-OAHLLOKOSA-N 437.506 2.429 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 758149110 RXPOHRNNKDFULG-MOPGFXCFSA-N 436.597 2.297 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2CC)C1 760305892 WAXANMCKOZPUPI-NVXWUHKLSA-N 431.562 2.120 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1F 765676545 PIQSZYRDESNQEF-CZUORRHYSA-N 441.525 2.275 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(-c2nccn2C)[nH]n1 772479131 AYOOUYOBHMJAGI-CQSZACIVSA-N 441.517 2.046 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 784801924 FBAJELRCXRJLPB-SFHVURJKSA-N 427.407 2.179 30 10 IEEE C=CC[C@]1(C(=O)NS(=O)(=O)c2cn(CC)c(C)n2)CCCN1C(=O)OC(C)(C)C 791855553 NZJFWPVYMLYFPE-LJQANCHMSA-N 426.539 2.362 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 794608678 LQGFMUBOCFRUCB-UHFFFAOYSA-N 438.447 2.122 30 10 IEEE CN(C(=O)c1ccnc(C#N)c1)S(=O)(=O)c1ccc(I)cc1 796713306 MVLHSROZLMIZHZ-UHFFFAOYSA-N 427.223 2.019 30 10 IEEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 813560972 BBHIUDFTBCILHK-AAEUAGOBSA-N 430.452 2.130 30 10 IEEE Cc1c(Br)c2ccccc2n1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 813980202 VQNREAIEYABMAI-UHFFFAOYSA-N 433.287 2.484 30 10 IEEE COC(=O)c1ccccc1CC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 816842843 GEKQCTDVIGZVAD-QURGRASLSA-N 425.485 2.171 30 10 IEEE CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 916325570 UUUYWAQNXPWPRT-UHFFFAOYSA-N 434.371 2.227 30 10 IEEE C#C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Br)cc1 1129610104 FFMVJLUNIFNAKD-RDJZCZTQSA-N 426.270 2.380 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2)C1 1136755841 JOQYUEFVUMZSMD-QKBUSNMPSA-N 430.549 2.387 30 10 IEEE Cn1c(=O)c2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)sc2n(C)c1=O 1141447869 TXAGMRJVJFVRHW-LBPRGKRZSA-N 433.287 2.056 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)CC2)c1C#N 1141622703 WMOAPCPUIOWYKC-ZIAGYGMSSA-N 441.504 2.378 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1158576031 ZRGVSHSNOKXCTJ-MRXNPFEDSA-N 430.486 2.012 30 10 IEEE N#Cc1cncc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)c1 1178373149 DZZSHTANYBAIKP-UHFFFAOYSA-N 436.449 2.413 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181001740 WIRBTDXEGIIACX-SJORKVTESA-N 445.520 2.068 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)CO2)C1 1221992713 DGPJBPJFODOGCD-VWLOTQADSA-N 433.508 2.412 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncc(CC(=O)OCC)s2)ccc1F 1276216354 AHWFEAFAWYUVCJ-UHFFFAOYSA-N 427.479 2.104 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286394261 OIESDQKLYKHPEO-DEXQXJORSA-N 442.651 2.041 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1286436961 CJFWJSKRZCQVFS-QHCPKHFHSA-N 435.532 2.407 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccn(C)n2)CC1 1286472421 SPWZZWGQJRVAHM-SFHVURJKSA-N 437.523 2.289 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](COC)OC)CC1 1286473999 ZOABNVPULMLUAG-SFHVURJKSA-N 448.365 2.124 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCn2cccn2)CC1 1286475044 VIAHQPVBOCJMAJ-UHFFFAOYSA-N 449.559 2.394 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286505622 GZCQSAQBTGYAHN-FQEVSTJZSA-N 442.610 2.170 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286717469 YOAHXZZQEBSYAX-QFBILLFUSA-N 447.502 2.204 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286812257 MSBDFRKVNSCSJW-QUCCMNQESA-N 446.573 2.116 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCc2sccc2C1 1286818913 SNBFPWPHTXXYLE-UHFFFAOYSA-N 430.559 2.350 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286833468 DXAUARKTKDMPRK-FQEVSTJZSA-N 428.606 2.342 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCc2ccccc2)C1 1288981724 IFHGIMBDSMDOCO-XMMPIXPASA-N 449.559 2.237 30 10 IEEE CCN(CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1295869315 MQWLBOKMBZSQHC-LJQANCHMSA-N 425.537 2.395 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1F 1297712991 PWNIDWBJNMGMFO-MSOLQXFVSA-N 433.842 2.012 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCOCC1 1298802236 ZFSCWUGOBYQTQI-HNNXBMFYSA-N 435.326 2.201 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)C1 1300020394 GZVBTZDIEONXKM-UXHICEINSA-N 440.544 2.176 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300488264 CJPMYUSUWZQULG-UKRRQHHQSA-N 440.928 2.399 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1300765747 JUNILYXHIDLCQE-UHFFFAOYSA-N 436.578 2.388 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300997094 POOLYXKPRSPEPQ-FQEVSTJZSA-N 444.624 2.346 30 10 IEEE C=C(Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1301007085 BUVNLGHWWNFTTR-NRFANRHFSA-N 438.576 2.491 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 1301064354 UDLKMGDTADRDJL-UHFFFAOYSA-N 441.927 2.095 30 10 IEEE COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1301124803 HVOAJOLKANJCRT-INIZCTEOSA-N 427.509 2.107 30 10 IEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1301431510 HSNZRGFAHYTJSK-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301493456 ZIFKHKOKCYYHPV-GOSISDBHSA-N 447.543 2.100 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)CC1COC(C)(C)OC1 1301506344 JFMCJDOJLBRTNL-UHFFFAOYSA-N 443.548 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301585731 DMTABRGNPQTYGX-LJQANCHMSA-N 446.621 2.414 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1301609244 FRPKKZUBIIXAKI-RTBURBONSA-N 443.573 2.433 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301615542 OKXNBPWQRDTOEA-SJLPKXTDSA-N 434.537 2.287 30 10 IEEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1301925035 XNQCZQMAVMUPQA-UHFFFAOYSA-N 434.504 2.250 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1301951525 AOXMFKAUYRUKFW-INIZCTEOSA-N 442.487 2.150 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(N2CCSCC2)CCCC1 1301951630 CGXSGEDFNBRKDY-QGZVFWFLSA-N 433.626 2.374 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1302882599 KFECGBWPHGLVKG-FMCKIIILSA-N 440.479 2.224 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C(C)C)C(C)C)CCOC1 1303506674 PZAUKZLYKUIKRM-SIKLNZKXSA-N 434.585 2.166 30 10 IEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)OC 1305819239 SJOQPIGXTXOZPL-WIYYLYMNSA-N 429.546 2.257 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1314504765 JLRGLGFUTPWJTC-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)N(C)C 1314522001 BSYHYTNXICIETM-IBGZPJMESA-N 430.578 2.028 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@H]1C 1316101911 QHVGNJSLQGBDSO-CVEARBPZSA-N 430.509 2.045 30 10 IEEE COCCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1316228981 ZAXWJNWFGBWIEW-UHFFFAOYSA-N 426.521 2.230 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1316269157 ZISHJTRMZWOIFD-CTNGQTDRSA-N 441.532 2.397 30 10 IEEE CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1316380077 CORUZSPITVETEM-JLSDUUJJSA-N 426.546 2.430 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1323419674 WORTWAGOQZRTNZ-GOSISDBHSA-N 435.546 2.043 30 10 IEEE Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c2ncccc12 1354749391 LQXSHEWDNRURQZ-MOHJPFBDSA-N 426.502 2.191 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1358946495 XFDSHTDABYVROD-SFHVURJKSA-N 433.560 2.476 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358965098 NSEAEAMHXURWJP-IBGZPJMESA-N 448.564 2.450 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)OC(C)(C)C 1358997355 PDYPXRBOBXKHLC-UHFFFAOYSA-N 425.537 2.127 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1359009243 LFDVECOMERIEGB-MRXNPFEDSA-N 428.541 2.029 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCCOC)CC1 1359034032 ZSPLQPOMRULYQF-UHFFFAOYSA-N 432.528 2.169 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359135680 LJBYKQUAOBGYAW-HXUWFJFHSA-N 441.580 2.324 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359182577 LWFHWURQINDMME-GOSISDBHSA-N 427.553 2.428 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccc(C)s1 1359242583 LHCPTQMWKRSQLH-UHFFFAOYSA-N 432.575 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)OC 1359329366 HAWCDQDRGKHEDY-UHFFFAOYSA-N 433.303 2.445 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1359455372 NXTXVFPAPCEMPE-INIZCTEOSA-N 447.337 2.271 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc(N4C(=O)CCC4=O)c3)C2=O)cc1 1440108593 AXWCNEIWXFTGIM-SFHVURJKSA-N 445.435 2.055 30 10 IEEE C[C@@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1447653882 UBQFBHWIQZEAHC-DNVCBOLYSA-N 447.557 2.428 30 10 IEEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)/C=C/c1ccc(F)cc1 1447996271 OIINKNSVCIKTOO-RUDMXATFSA-N 432.473 2.290 30 10 IEEE C#CCn1cc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cn1 1448877953 YHXLJOUNLVJXKY-MRXNPFEDSA-N 434.283 2.345 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 1450716081 ZEYBOUGATJVLLG-INIZCTEOSA-N 448.911 2.358 30 10 IEEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(n4cc(C(N)=O)nn4)CC3)c2C#N)C1 1460440295 DMNYVJPWOMVUJX-CYBMUJFWSA-N 441.561 2.101 30 10 IEEE C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1460722748 KPBJYOGXHFSLPH-BOCKYXSRSA-N 431.533 2.398 30 10 IEEE COc1ccc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCCC1 1462354345 FBVSTNDARUCXJR-IBGZPJMESA-N 425.510 2.249 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 1464815764 SOFIDFJLIBUHKF-IBGZPJMESA-N 437.581 2.463 30 10 IEEE O=C(NCCS(=O)(=O)C1CC1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470519680 QBNMAOFDAIYYAF-IUCAKERBSA-N 444.344 2.376 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1470958233 AXNHSKDBECBGHT-CYBMUJFWSA-N 434.345 2.048 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCCCN(C)C3)nnc12 1472600933 GDDZLWLMADIWPY-INIZCTEOSA-N 440.573 2.170 30 10 IEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)C1 1475135795 IFTNDNNDRDURJC-UHFFFAOYSA-N 431.518 2.235 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 1478073213 MLBZSDFDMPCPNJ-UHFFFAOYSA-N 427.545 2.454 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1478284978 RVEDOJYCYFPPEE-UHFFFAOYSA-N 425.551 2.454 30 10 IEEE CN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503499494 MKWQWFOXTBJNJG-UDJKBAMHSA-N 442.545 2.396 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@H]1C(C)C 1504887144 RRLQZMBVKOHCRC-JXFKEZNVSA-N 444.536 2.433 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507586094 VLOBNIPESPSYEF-KRWDZBQOSA-N 431.562 2.133 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507622779 LSLZSHFWRTUZEF-WMZOPIPTSA-N 444.557 2.238 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CC)CC2)CC1 1507736075 KVPRJEGBZTZNLM-XMMPIXPASA-N 443.592 2.475 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507768455 QRDVHUWSPOWIQR-MBOZVWFJSA-N 441.498 2.427 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(C)=O)CC1 1507964930 IMGQWWLJEBWBFM-UHFFFAOYSA-N 437.548 2.214 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507966073 YAQBDTXKXBNCND-SFHVURJKSA-N 439.626 2.464 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C(C)C 1507978346 JVUFBZKDORWSQB-UHFFFAOYSA-N 433.582 2.023 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(OC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1508099064 UCAKOCYAQTXVRS-HSZRJFAPSA-N 447.580 2.160 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508103591 HFFMPICPUDKQMT-ZWKOTPCHSA-N 432.546 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCN(CC)CC2)C1 1508112695 QYIBNAUYSNLKBT-FQEVSTJZSA-N 425.581 2.149 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1508700971 CNOJYXVTVRWPIO-FCGDIQPGSA-N 433.553 2.121 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1510292199 ZLFXHSKKQRLLER-JPYJTQIMSA-N 438.532 2.215 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1516421900 XHBNDCCAKGFNMF-HXUWFJFHSA-N 426.521 2.260 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)OC 1519324308 XTCDDFYSJLQCOX-MSOLQXFVSA-N 428.537 2.235 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1525739015 KYGXOZXTRPIFPE-XKQJLSEDSA-N 443.363 2.310 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 1538480264 FQDMMJMYBWTCRH-DJJJIMSYSA-N 436.306 2.212 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1539093794 FGXVBLPODKCORN-LNLFQRSKSA-N 431.562 2.268 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539540780 UMBCOXYEURRNLG-HTAPYJJXSA-N 443.573 2.227 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1539577049 DSVNJBIEQRRQLL-UHFFFAOYSA-N 441.374 2.210 30 10 IEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1539600362 MUJHDZRMIYWIFK-UHFFFAOYSA-N 447.305 2.291 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539722135 LRWOPSCWAJGUDE-KRWDZBQOSA-N 436.520 2.246 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539779133 OGFMKSRXRYQTNK-OAHLLOKOSA-N 439.948 2.158 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCOCC1 1540590783 AJKQAYBMXBLXRZ-UHFFFAOYSA-N 430.505 2.211 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1540860522 VQPBVKHOZVEMCJ-UHFFFAOYSA-N 437.541 2.480 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1545709173 WZEDJUZDPXITKM-MRXNPFEDSA-N 427.553 2.125 30 10 IEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCC(C)(C)O)c1 1552880220 DYLUCIALZQUDIQ-UHFFFAOYSA-N 446.577 2.096 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC[C@@H]2CCCO2)c1 1555987683 PANOLFVNBHVBHO-PMACEKPBSA-N 438.532 2.104 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCn2cc(Cl)cn2)CCO1 1555994307 HFOWUCGMCRWJBU-QGZVFWFLSA-N 431.859 2.275 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1561828863 BTIOXCYIGXLRGO-SJORKVTESA-N 428.938 2.372 30 10 IEEE CC(C)(CC#N)CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1564902771 RNUUELFLRQPXOF-AWEZNQCLSA-N 440.285 2.414 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(c3cccc(F)c3F)CC2)cc1 1569268807 HRPPFJHKRHVWJL-UHFFFAOYSA-N 433.480 2.229 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1587615865 ZRZFBQAGSOTUHF-IAGOWNOFSA-N 440.573 2.319 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587883593 GEELOWKYEHNEHM-UHFFFAOYSA-N 437.953 2.006 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588029016 BYUZEUNTHOHGHQ-QGZVFWFLSA-N 432.546 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1588213903 AMHFEWRMKYQBGU-SFHVURJKSA-N 425.537 2.445 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC(N)=O)CC1 1588993807 NNIRINYQIMIDEZ-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE C#CCSCCn1c(N2CCN(CC(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589125422 KMIFMAUWOCEOIF-HXUWFJFHSA-N 443.564 2.072 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595529805 IINBWBFBNLOTPN-IBGZPJMESA-N 449.563 2.076 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCOCC2)C1 1595555475 AIFBWNQXEWTMLZ-UHFFFAOYSA-N 431.487 2.456 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595744603 NSQZTIWIFLJBBU-ICSRJNTNSA-N 446.573 2.382 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1NC(=O)CC1(C)C 1606951788 JZBFLKCTCHWEOK-QGZVFWFLSA-N 429.569 2.195 30 10 IEEE N#Cc1cccc2[nH]cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)c12 1610892304 ZALXSDQZQSRTEA-UHFFFAOYSA-N 426.454 2.018 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cn(C3COC3)nn2)c1 1611994185 WRKCIVTWXRPIPT-KRWDZBQOSA-N 436.520 2.423 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613113102 ALHPNHGHMHXNTR-LTMIRXACSA-N 439.564 2.172 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1614932250 MWORBAHIWNVYKM-XMMPIXPASA-N 449.559 2.038 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3nn(-c4cccc(Cl)c4)cc3O)CC2)c1C#N 1616430344 GVYKODNRLROSKF-UHFFFAOYSA-N 425.880 2.107 30 10 IEEE C#C[C@](C)(CC)NCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1618048179 JHGACMSRZRZFBB-HSZRJFAPSA-N 425.533 2.256 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)coc2C)CC1 1619548705 VLZFUWIYHLQFNT-UHFFFAOYSA-N 434.500 2.370 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1cccc(F)c1 1620110964 HBTLRYVGQQQXRX-FVCZOJIISA-N 445.495 2.337 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1620150645 FTPZYSGFKYCVSH-IBGZPJMESA-N 440.529 2.180 30 10 IEEE C#CCN(CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)C(=O)OC(C)(C)C 1624657592 NKZDPDXRMHBGPV-FQEVSTJZSA-N 431.533 2.055 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC(=O)Nc2cccnc2)C1 1627353039 FSSNVSJPADWFNA-UHFFFAOYSA-N 428.290 2.297 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCn3ncnc32)c1 1630497809 BWEHGOQFCPXWMY-KJCFGCQTSA-N 430.534 2.387 30 10 IEEE C=C[C@@](C)(O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCC 1631151915 HMARHRLWEUCVAW-HXUWFJFHSA-N 425.551 2.185 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)cc1 1633090739 PUJSSGHNMZHGLJ-CYBMUJFWSA-N 436.461 2.483 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1637668250 YRLSDZSOTOLNJV-SNVBAGLBSA-N 448.199 2.159 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1 1639050253 SSWNWYZSKLPRFL-GOSISDBHSA-N 435.480 2.248 30 10 IEEE CN(C)c1cc(F)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] 1639973439 AHSVTIVUXQQFLT-QGZVFWFLSA-N 425.420 2.202 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)Nc2ccccc2C1 1643721219 AOONNTSBPSFKFL-SFHVURJKSA-N 440.525 2.265 30 10 IEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)nn1-c1cccc(C#N)c1 1643926852 NZZXDSTWCXFNRR-MJGOQNOKSA-N 425.489 2.153 30 10 IEEE Cc1csc(C[C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1645625344 FJYUAOHZMNFWFY-WBVHZDCISA-N 432.571 2.471 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1648581171 DDOMSSIFJBZZSU-OTWHNJEPSA-N 447.557 2.377 30 10 IEEE N#Cc1cc(Br)cnc1N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1651497826 GQOMCHABVJFEPE-MRXNPFEDSA-N 444.337 2.423 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 1651801572 ARCZDBFOOHXHSA-SFHVURJKSA-N 442.497 2.223 30 10 IEEE COC(=O)[C@@H]1CN(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 1653917825 FKAQSAGDVXHLLF-GOSISDBHSA-N 429.565 2.457 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1664028679 LZJXBEUKSYYNEO-CABCVRRESA-N 437.345 2.472 30 10 IEEE C=CCONC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1681165284 BEZIPTMGDURIBK-MRXNPFEDSA-N 434.541 2.473 30 10 IEEE C#CC1CCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)CC1 1682379254 RBAPCJIEOQPZAY-UHFFFAOYSA-N 428.352 2.091 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1689878246 BQBZPFGAPDTNQE-KDURUIRLSA-N 428.489 2.336 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1OC)N1CCCC1 1689972609 VJOYTXKMHCGSJJ-FQEVSTJZSA-N 436.560 2.316 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690099664 GXYFIDFTRMYTOY-QHCPKHFHSA-N 446.555 2.327 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690360980 DLMQNZFEGAQCIB-MRXNPFEDSA-N 444.502 2.226 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1690528210 YCBWDEKLVOBRQR-WBVHZDCISA-N 439.607 2.174 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1690655251 MJIQBAYNRRGORZ-LPHOPBHVSA-N 428.493 2.423 30 10 IEEE Cc1nc(Cc2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CC(=O)N(C)C)cs1 1693360577 UNHGRUHMIDIARN-MJGOQNOKSA-N 435.557 2.466 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1694830171 FZKFITRKLALAOQ-YLIUKNOZSA-N 435.532 2.415 30 10 IEEE C#CCCCn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1705538965 FZZRRMUMFUHNEB-REWPJTCUSA-N 441.580 2.469 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705566502 NTLYJSBFCLVZHB-SIKLNZKXSA-N 446.548 2.219 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2F)CC1 1705635058 PUFBHRXHJASYNH-QHCPKHFHSA-N 445.514 2.400 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nncn2CC)CC1 1705636620 RFCNENCZGOBZQK-UHFFFAOYSA-N 428.903 2.153 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(C)=O)CC1 1705695074 VENGNXBJRLFKFS-PXNSSMCTSA-N 446.596 2.283 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705738285 RNHOZKGXRJJNAS-SIKLNZKXSA-N 444.624 2.202 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1705786766 XAMWEYIJLDFWQX-INIZCTEOSA-N 430.553 2.261 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1706748409 VATXNYJVACKQLK-CJNGLKHVSA-N 429.912 2.249 30 10 IEEE Cc1nc(Cc2nnc(N(C)CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1707744930 HYKZBXWZRHPZKI-VHEBQXMUSA-N 429.550 2.252 30 10 IEEE COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CC1 1712059274 BEZRKBDDOZCXFW-UHFFFAOYSA-N 431.585 2.046 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1712108670 CABIBRNGUCGBER-HXUWFJFHSA-N 436.516 2.241 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1 1712497310 LGERMRSJWGNFPG-WBVHZDCISA-N 426.521 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722274455 OETKLDFBTWLEMW-MRXNPFEDSA-N 430.553 2.372 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1722294662 RPKFTJNZWIIWMW-MSOLQXFVSA-N 433.560 2.382 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722330063 IROJRIIUFMRJPL-INIZCTEOSA-N 446.349 2.462 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](c1ccco1)N(C)C 1722350265 RTGSIHMRTQOXPR-GOSISDBHSA-N 431.500 2.157 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)c(OC)c1 1722395764 BISPYWQKHUXCJQ-HXUWFJFHSA-N 440.569 2.203 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722535303 FABPDTWJMGGGIQ-QHCPKHFHSA-N 425.533 2.209 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 1722655640 HTOUWPBLLSNVCO-UHFFFAOYSA-N 432.475 2.088 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1Cc1ncn(C)n1 1722656109 QGZUQEWFDNBMGC-UHFFFAOYSA-N 442.531 2.381 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc2c(c1)C(=O)NCC2 1722680570 QPRCQZAGBYFURZ-UHFFFAOYSA-N 432.528 2.237 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccccc2C1 1722725229 MKZMCICXKJFEAN-UHFFFAOYSA-N 445.589 2.360 30 10 IEEE Cc1coc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1725018300 ZKPBMSJVHRBWJQ-UHFFFAOYSA-N 440.529 2.157 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1726691167 DNNLIMVWIZMQMM-MQINBFPNSA-N 427.534 2.130 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC)CC1 1728242143 DFULXQUWTRRDRZ-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)SC)CCN2C1=O 1728528210 YZHFSCJMQQUOBH-YOEHRIQHSA-N 439.545 2.041 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N 1730884116 XHBCURWZRGDOQT-SFHVURJKSA-N 440.548 2.492 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1730934888 VFGAZDITGJPAEL-CNNODRBYSA-N 443.573 2.378 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[C@H]2COCCO2)CCO1 1731188026 BCQFSZIELJMTMJ-LSDHHAIUSA-N 448.321 2.242 30 10 IEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740581924 HJXHETRCKPFRBO-UHFFFAOYSA-N 425.493 2.112 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740619363 ICAVYAGXAXSGJA-IBGZPJMESA-N 441.557 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1740653016 WJEDXJGLRMEDQC-LJQANCHMSA-N 443.555 2.139 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740808902 BUMSTHBFAYOQOT-CYBMUJFWSA-N 436.900 2.473 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1740856736 WCDSSXJFARLAGT-RTBURBONSA-N 437.548 2.051 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1740917193 JNKMTWJMYWVQOW-QGZVFWFLSA-N 433.578 2.386 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@H](C)C1 1740953086 VGJNYVAFIPNPGP-IAGOWNOFSA-N 430.528 2.390 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccc(C)c2)C1 1740979879 GOADATOVEFOCNE-VQTJNVASSA-N 425.533 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1740994018 GWHDXJVGZJBRLD-UHFFFAOYSA-N 429.590 2.466 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1741754924 LQZHKAKZCVBZSD-NFBKMPQASA-N 441.532 2.252 30 10 IEEE COC1(C)CN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748483369 PYTNIYRNWXUDSE-ZPHPHTNESA-N 442.907 2.350 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1748811360 FIONWFDNRCBOPI-SFHVURJKSA-N 427.555 2.385 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1748924998 BFNAGBBGTHQBKN-LJQANCHMSA-N 448.612 2.430 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749126909 HTPZSJFDODFJJE-LPHOPBHVSA-N 448.593 2.115 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749367575 MVWUSAHETNNUEO-MSOLQXFVSA-N 446.502 2.494 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749765158 CGMHSEXGUTXSBA-SJLPKXTDSA-N 440.577 2.426 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(C(=O)Nc3ccccn3)n1CC(F)(F)F)C2 1750381984 MTTZZWHPIBJKAR-UHFFFAOYSA-N 444.377 2.023 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2COCCO2)CCO1 1750387647 XZKSCABDEWWTPT-DLBZAZTESA-N 448.321 2.242 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1750682890 JVBTYFKSKFNRTG-SKQREZPOSA-N 430.578 2.335 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(c2ccncc2)CC1 1750948072 DAZQTUYSPVQESA-QFIPXVFZSA-N 440.527 2.170 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1760242642 KIPFLAICAOBVIH-IRXDYDNUSA-N 425.533 2.435 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)C)C1 1760242874 QVAPIJVJBSZPEE-IBGZPJMESA-N 439.564 2.132 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1760318246 DXMZDUWIWQBBNY-WIYYLYMNSA-N 440.548 2.053 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1760360009 NSCSXULCTSOPIG-HSZRJFAPSA-N 443.523 2.230 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1760387897 ACIDHIUFCLLXIA-UHFFFAOYSA-N 426.546 2.450 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@@H](C)C1 1760458620 NKAWELNXWZOSJZ-SFHVURJKSA-N 437.552 2.044 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCSC1 1760556580 ISNLZACFAILESP-KRWDZBQOSA-N 446.602 2.059 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C#N)o1 1763196012 LVYFCLDTNBHSOO-IBGZPJMESA-N 447.499 2.375 30 10 IEEE C[C@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1763272837 BUAYAIUUMAXDLM-WAIKUNEKSA-N 442.539 2.453 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1768980405 DDPPAQHCINCXPQ-MKTHODDLSA-N 447.561 2.142 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1769418737 CKQCGQOQYFLZOO-UHFFFAOYSA-N 448.483 2.116 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1769979675 YNCOINOFKBXWHI-INIZCTEOSA-N 439.582 2.099 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCSCCCO)cc1 1770735700 NJMYTMARQSFOJW-OALUTQOASA-N 440.573 2.180 30 10 IEEE CC1=N[C@]2(C(=O)COC=O)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 1848437829 HROKUUDHNJTBDD-UZMCGFKISA-N 427.497 2.173 30 10 IEEE C=CCN1C[C@H](C(=O)N(CCN2CCOCC2)c2nc3ccc(OC)cc3s2)CC1=O 1848977497 RMJDTNKBQCOHKP-MRXNPFEDSA-N 444.557 2.005 30 10 IEEE Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCCCC#N)CC4)c3CO2)cc1 1849946701 ZQFQFJZQGCNWCT-FQEVSTJZSA-N 436.516 2.130 30 10 IEEE COC1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851386815 PQONXDSYGVSUSP-NRFANRHFSA-N 427.526 2.085 30 10 IEEE N#Cc1ccc(OCCO[C@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)cc1 1852369194 OQLUPSNYZATHPA-HXUWFJFHSA-N 428.510 2.419 30 10 IEEE COCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(C(C)C)cc1 1852498127 XPDJVLVZXBGXMR-UHFFFAOYSA-N 446.515 2.161 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854136381 XZFBPXNADNMOMA-AWEZNQCLSA-N 431.901 2.415 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1 1855911172 WYYYYCAJDSJVOP-KRWDZBQOSA-N 425.510 2.248 30 10 IEEE NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1O 1874263072 GLXXDLYHXPNLKF-ODCIPOBUSA-N 433.877 2.381 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN2CCC(C#N)CC2)cc1 1890546715 IKJLEUNLTZBVGW-OAQYLSRUSA-N 446.617 2.489 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2ccc(I)n[nH]2)C1 1991987370 IELBVZNXTXNNBB-UHFFFAOYSA-N 430.246 2.055 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010227360 NDJCHCBEROYRLE-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)C1 2014232852 QWTDISUOLIKPGB-JKSUJKDBSA-N 439.553 2.334 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124534664 JCRFAMJUNPOQFE-SFHVURJKSA-N 447.385 2.404 30 10 IEEE C#CCn1ncc(NCCO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2165423887 XJHCUIZPLGECNK-CYBMUJFWSA-N 441.326 2.077 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2237385619 JAVJGURIKDLYDZ-NSHDSACASA-N 427.114 2.273 30 10 IEEE CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243665040 PHEHOBQFHISEDR-ZDUSSCGKSA-N 425.360 2.362 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)cc2Cl)OC1(C)C 2255538450 KTVYJKBSQVFMOQ-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE CCC[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255646492 OTPVITWRYDPLSD-HNNXBMFYSA-N 434.346 2.199 30 10 IEEE C[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255699330 XAADAXMJFKTXDV-ZBFHGGJFSA-N 431.342 2.366 30 10 IEEE CCn1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255818420 KYJFISYREFFQNE-QGZVFWFLSA-N 426.370 2.453 30 10 IEEE C[C@@H](COCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2256634789 BCCZVGTUMGIRSD-AWEZNQCLSA-N 435.330 2.249 30 10 IEEE C[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@@H]1NC(=O)C(F)(F)F 2256889130 AKLFBJGDCCUBRS-FZMZJTMJSA-N 431.239 2.413 30 10 IEEE Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998849 JDHKFUWLBAZSLA-QFBILLFUSA-N 438.381 2.278 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H](C)CN1C(=O)OC(C)(C)C 2267137947 QWKPDNVRFHFOED-CABCVRRESA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267142682 XMGZLHZCIGBVQN-HNNXBMFYSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@]2(C)C1 2267144866 BUBIVKRAEPBHEJ-RCDICMHDSA-N 446.357 2.038 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267179911 WQYYPPLZGWJIFQ-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267181816 XTEJSLHUSHQEGW-GOSISDBHSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267213638 FIHNEXDSKNRAAU-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC1CN(C(=O)OC(C)(C)C)C1 2267540291 WOYFQRIDMNZVNO-UHFFFAOYSA-N 448.373 2.141 30 10 IEEE Cn1nc(C(=O)N2CCC[C@]2(C)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267547322 ISNTWQNCAIYQON-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2267592371 MBGIIJVGIBEVPJ-GOSISDBHSA-N 446.353 2.040 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267870693 HDYKDIBHFUXRJA-SFHVURJKSA-N 436.365 2.370 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2271959643 LCZFUGZHTDINIY-CABCVRRESA-N 448.373 2.061 30 10 IEEE N#Cc1ccc(N2CC[C@]3(CO)CN(C(=O)c4ncccn4)C[C@H]3C2)cc1C(F)(F)F 2297649161 RHHPSYTVTOFEMS-FOIQADDNSA-N 431.418 2.328 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)n1 2315390454 OQOLZYIBDUUQDT-OAHLLOKOSA-N 433.358 2.471 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2317164549 ARNOJYCKDGCEIC-KRWDZBQOSA-N 431.342 2.179 30 10 IEEE CN(C)C[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322261537 GRXZKUPSGDYUJJ-CQSZACIVSA-N 439.337 2.354 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306821 OVUXYYOXYKPFJM-HOTGVXAUSA-N 437.321 2.302 30 10 IEEE C[C@@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H]1NC(=O)C(F)(F)F 2322309946 YYXNUCFKJVUUGG-BXUZGUMPSA-N 431.239 2.413 30 10 IEEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)cc1 2330710783 DXURVCIBJNBFFJ-UHFFFAOYSA-N 432.550 2.156 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337199424 VIMGRXKZXWJQLY-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203548 ZBXDCWBQKCYOCU-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(Nc1ccc(Br)c(C#N)c1)C(=O)O 2348630442 QGNNHQPRWWVVEQ-GUYCJALGSA-N 426.267 2.480 30 10 IEEE C#CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCOCC1 36150990 RJNGKOHNQIMPDN-OAQYLSRUSA-N 443.544 2.027 30 10 IEEE CCCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39769662 ZZUXKYJMTIWECF-LFIBNONCSA-N 432.571 2.496 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccco1 72461179 KGAMUZOPYJPTOE-CXAGYDPISA-N 433.424 2.360 30 10 IEEE C=CCn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2cc(S(N)(=O)=O)ccc21 254821448 OHMZCYPPHCWELT-UHFFFAOYSA-N 431.495 2.049 30 10 IEEE C=CCn1c(=NC(=O)c2cc3ccccc3oc2=O)sc2cc(S(N)(=O)=O)ccc21 254867512 JKENLVVQCPXFRX-UHFFFAOYSA-N 441.490 2.384 30 10 IEEE N#C[C@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 303512165 CKXVAJJGJQYFKT-RBBKRZOGSA-N 438.553 2.076 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 472583227 SVEWUPXNAURRFE-UHFFFAOYSA-N 435.452 2.442 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 474527310 WLWQZCJYJQBZCS-NRFANRHFSA-N 427.936 2.454 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC/C=C\c2ccccc2)CC1 477491055 CSDQHXNLTMCPBK-TWGQIWQCSA-N 425.510 2.121 30 10 IEEE C=CCN(CCc1ccco1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 498126584 PHSVPRWPRBAUIT-UHFFFAOYSA-N 439.559 2.302 30 10 IEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508918767 OBJSWXZYJIWRPX-UHFFFAOYSA-N 426.565 2.260 30 10 IEEE Cc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 526883841 AAZXZIMRWFAORS-KTBRBRGUSA-N 437.572 2.230 30 10 IEEE CN(Cc1ccccc1Br)C(=O)CN1CCN(c2cccc(C#N)n2)CC1 544882017 PVQIJRLYQAIXIM-UHFFFAOYSA-N 428.334 2.496 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1 554436684 RINGSINMNBPARL-UHFFFAOYSA-N 434.562 2.294 30 10 IEEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2nc(C)no2)CC1 559046845 JRJBTDWWDWVDCC-UHFFFAOYSA-N 436.520 2.257 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 583780754 BJBARBUSXIHYQC-GOSISDBHSA-N 435.525 2.105 30 10 IEEE C[C@]1(c2cccc3ccccc23)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 588822947 GFLHDMXUBNBNCX-JOCHJYFZSA-N 434.477 2.347 30 10 IEEE NN/C(=N/C1CC1)Nc1cc(I)cc(I)c1 690319740 DZXXDTUWVXPHCD-UHFFFAOYSA-N 442.042 2.289 30 10 IEEE CCCCCC(=O)NC1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726587996 ASGSUEPVLIBDLB-UHFFFAOYSA-N 425.533 2.441 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 727825483 PCXRMMJEZDMBDU-UHFFFAOYSA-N 436.541 2.110 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)c1 733254766 TUPLGKREDXNLKT-QFIPXVFZSA-N 426.476 2.159 30 10 IEEE CCN(CC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)C(=O)OC(C)(C)C 746331599 HLIPPULWYNVCGT-VXPUYCOJSA-N 434.537 2.399 30 10 IEEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 758295625 QFVTUNYBBANSJH-HSZRJFAPSA-N 431.452 2.089 30 10 IEEE CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)[C@@H](C)C1 760756966 OVZQQPDCXQDCRV-AEKNLGIRSA-N 449.577 2.364 30 10 IEEE C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 761272558 LQFKKWXBONNMGI-UHFFFAOYSA-N 427.482 2.208 30 10 IEEE CC(C)c1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771550613 YVFIPMTTZQGFOS-QGZVFWFLSA-N 441.561 2.176 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)C1=O 771583787 WCEDWPXECQNOHV-WAIKUNEKSA-N 434.452 2.118 30 10 IEEE C#CCN(C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 774241433 MHBVAIKDJVYTHZ-HIFRSBDPSA-N 429.336 2.048 30 10 IEEE COc1cc2c(cc1F)CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 777504935 FENBLANCLDKXHF-UHFFFAOYSA-N 431.489 2.238 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)c1 777814089 RUTQQQYWJGCVCF-IBGZPJMESA-N 449.536 2.403 30 10 IEEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CC1 780205977 ORUNZKOHYBCREZ-UHFFFAOYSA-N 445.545 2.028 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)N(CC#N)c3ccccc3)CC(=O)N2C(C)(C)C)cn1 796422706 FIFJKAYRNIMSRL-GHTZIAJQSA-N 437.500 2.208 30 10 IEEE N#Cc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 799627656 GQRSJSPAXHRADH-BJMVGYQFSA-N 426.454 2.013 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 800772389 BPSMAFCYWYSZAJ-MOPGFXCFSA-N 427.505 2.275 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)cc(OC)c1 1083987917 YLODKJKMWROAOZ-UHFFFAOYSA-N 427.490 2.071 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 1116569627 RCMAQUXELFBTEX-IBGZPJMESA-N 431.533 2.355 30 10 IEEE CCOC(=O)c1c(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)c(C#N)cn1CCOC 1125002688 SRMOAHPJFYGAMX-QGZVFWFLSA-N 433.505 2.487 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1138741288 HUXMNSXNAZZRSO-CLTKARDFSA-N 428.844 2.295 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 1147331195 YBDLKUMLWSWAQL-MDASCCDHSA-N 443.500 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)C1 1176113247 IKHDYJUNKIWXHO-NRFANRHFSA-N 435.546 2.044 30 10 IEEE CCOC(=O)[C@H](NC(=O)COc1cccc(Br)c1C#N)[C@H]1CCCOC1 1268900551 CJHVFCRORLMOHT-YVEFUNNKSA-N 425.279 2.174 30 10 IEEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1269096748 ZUUOUYRRDSSHNG-SFHVURJKSA-N 447.495 2.496 30 10 IEEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286334197 SYZYICKOIQCWMG-QFIPXVFZSA-N 428.625 2.265 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286357089 YCHADUHGVGFWFZ-IERDGZPVSA-N 429.546 2.067 30 10 IEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCn2c(nc3c2CCCC3)C1 1286497467 TXVALXDUAUWXKO-QGZVFWFLSA-N 444.605 2.464 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)C)c2)CC1 1286646485 RRBBZYXDPZXYNK-FQEVSTJZSA-N 429.590 2.447 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2csc(C)n2)nnc1[C@@]1(OCC)CCOC1 1286793170 UQHKGJXGNDILOG-DYESRHJHSA-N 446.577 2.339 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cccs2)C1 1286811905 JSDQGIQHGAKRRP-IERDGZPVSA-N 431.562 2.151 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1288724665 CMFWWIZPLAXBDG-CYBMUJFWSA-N 449.487 2.326 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C(=O)OC)c3ccc(OC)c(O)c3)n[nH]2)c1C 1296652674 ZTHVVLIFZPQFDL-HXUWFJFHSA-N 439.472 2.434 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 1299714750 GRUDTZZJOJFXJL-YLJYHZDGSA-N 438.532 2.246 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1300484588 QPHQPOGKOIRRSV-AEFFLSMTSA-N 426.546 2.114 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300489983 WVIMUTHLKDPLKQ-ICSRJNTNSA-N 441.601 2.363 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCNc1ncc(Cl)cc1Cl 1300532561 XPMHYZWFHLIDCP-OAHLLOKOSA-N 432.315 2.116 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCCS(=O)(=O)c1ccccc1 1300635520 PMKAAKAXTUCWCB-UHFFFAOYSA-N 440.573 2.463 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1300805954 LXFDXOXMIZUCTE-KGVIQGDOSA-N 433.622 2.293 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCCS(C)(=O)=O 1300808113 RHGNVEFVEXZLQV-JOCHJYFZSA-N 430.574 2.499 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1300972291 JWZZPJKPTSQMFW-CABCVRRESA-N 431.459 2.263 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301040647 IBARSIBTIQRYOY-QZTJIDSGSA-N 436.988 2.058 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301124722 KNNGKNWNPUZKFC-UFVMTTLYSA-N 426.521 2.101 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301152376 YMTOJCMIRBHRGS-IRXDYDNUSA-N 430.553 2.151 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1301185797 KVIQMAAZABAAFG-UHFFFAOYSA-N 435.532 2.250 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1301248175 BNWXXVODFZFLFS-UHFFFAOYSA-N 439.545 2.352 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301261526 HGMJCORLHALWIY-GUDVDZBRSA-N 446.596 2.345 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1303935706 XNNQRCUDCRKIJU-DJJJIMSYSA-N 448.453 2.411 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCc2cccnc21 1316210174 OFCXBDPLFQGXNQ-BHIYHBOVSA-N 426.521 2.246 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCc2cccnc21 1316210220 OFCXBDPLFQGXNQ-NEWSRXKRSA-N 426.521 2.246 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1358957832 BCVPHTZYIFNTIK-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1359216295 TYISYPVCDTWUSD-MRXNPFEDSA-N 431.566 2.017 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359228562 GYSLAJMZDYNLHU-PMACEKPBSA-N 430.553 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359326808 KGJNQYXNTHSZOQ-INIZCTEOSA-N 441.598 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccs1 1359332138 QAUPPPVWXRTGIR-HUUCEWRRSA-N 435.575 2.233 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(c3ccc(C#N)cc3)CCOCC1)C2=O 1438363658 HOOMURZXGITRBQ-IRXDYDNUSA-N 438.528 2.427 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(OCC(F)(F)F)n2)s1 1448994040 RYKRESPUBDSNCC-UHFFFAOYSA-N 449.476 2.407 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1460323583 XOMDOXSNHCSEQP-AOMKIAJQSA-N 432.542 2.467 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1461988740 IWUPMASHZYAIHB-SFHVURJKSA-N 426.542 2.398 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cn1c(SC(F)F)nc2ccccc21 1471032502 GNYIYDWNJNSVEP-UHFFFAOYSA-N 433.444 2.421 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC1 1471973418 STBVZFHJBUCGNH-UHFFFAOYSA-N 443.573 2.436 30 10 IEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1475319710 ANIAUWZPCIAASO-GFCCVEGCSA-N 437.440 2.083 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)cc1 1476012375 FIYNJUHHAWLIRB-QFIPXVFZSA-N 433.505 2.193 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOC(C)(C)C)n1 1492753109 MMXPDSBBIYNJOD-IBGZPJMESA-N 426.569 2.131 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1507635222 UTADDUBFEFBEJW-MOPGFXCFSA-N 444.605 2.186 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC1(S(C)(=O)=O)CCC1 1507655243 CVUZVIZGRVDSKO-UHFFFAOYSA-N 440.569 2.460 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507811561 SBOJUCBGODKIBU-WOIUINJBSA-N 433.597 2.485 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CCC)C1 1508074319 RVNUJEVYDMLGQN-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(CC)C1 1508075856 ZXDISEZWILLZIB-OAQYLSRUSA-N 431.562 2.277 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)C1 1508127538 YFDLQVMJFWJCMJ-MAUKXSAKSA-N 433.459 2.368 30 10 IEEE CC(=O)Nc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1508278816 ALLJUFQYXNOUPI-OAQYLSRUSA-N 431.500 2.194 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1514184891 SHZOVCAMTUZXKO-KPFFTGBYSA-N 427.505 2.148 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1COCCO1 1519333421 DNTMNXCKUPVAOH-PBASOCQRSA-N 441.532 2.161 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC2(CC2)C1 1519529771 IKAFGJUSQDZWBB-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE C=C(Cl)C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C(=O)OCC 1535090450 DFOHGDKKOHWVAA-AWEZNQCLSA-N 442.697 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1539003148 MEGZHKCCFDZDNU-SJORKVTESA-N 438.532 2.355 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1539213133 WDVHTPXMFCPUEH-QGZVFWFLSA-N 434.587 2.334 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC=CO2)CC1 1539434360 JEGOLTSHNYFSCS-QGZVFWFLSA-N 445.365 2.494 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1540886220 YHQBYVXVHPZAHF-MJGOQNOKSA-N 427.530 2.033 30 10 IEEE CCOCc1nnc(N(C)[C@H](C)c2cccc(O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1548076399 QFPCMYQCRGHFFJ-WGLILOHCSA-N 440.504 2.244 30 10 IEEE CCOCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1548268429 OIOQIPZOVSRRJW-MRXNPFEDSA-N 436.495 2.497 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1554531372 DJVZYOLFEPCIAH-JOCHJYFZSA-N 425.489 2.012 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)CC2=O)cc1 1556063503 DGUQNZPRRIEPSV-AZUAARDMSA-N 446.507 2.394 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1556994449 CQAKBOIZHYWLMF-GOSISDBHSA-N 430.526 2.430 30 10 IEEE C#CCN(Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)[C@H]1CCS(=O)(=O)C1 1560681022 CHZOUUWKPVORJO-MSOLQXFVSA-N 436.574 2.460 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1564544205 CRLYIYBDASAKQD-KRWDZBQOSA-N 433.472 2.276 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1585593336 DCZXZZVQHNEVHU-UHFFFAOYSA-N 425.268 2.393 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1587783804 YJBCAQPUZIZLLM-SFHVURJKSA-N 442.589 2.426 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1587915088 CJGAHOQQWBMQBE-QHCPKHFHSA-N 431.581 2.033 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1588030543 WYYBMZMTABMCHN-FQEVSTJZSA-N 438.557 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1588929931 JDYHYZZMSGXCAU-PCCBWWKXSA-N 441.576 2.467 30 10 IEEE C=CCCCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1594775976 ZOAVGZRBXDPFCM-QGZVFWFLSA-N 425.599 2.173 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1594807706 XJFATMSONKEHAH-NRFANRHFSA-N 431.562 2.256 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1595501015 JINYUMNRLPNMNI-IBGZPJMESA-N 430.516 2.366 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCSC2(CCOCC2)C1 1595506726 KUQRWKUILROMKX-UHFFFAOYSA-N 443.573 2.358 30 10 IEEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1597799633 DTJITSLIUGIKSD-IBGZPJMESA-N 446.550 2.184 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1597950445 NMBDPAABXPSODP-OAHLLOKOSA-N 432.448 2.297 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1611766884 DDQZGCFQWPQWRM-QMTMVMCOSA-N 439.486 2.243 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCN1CC=CCC1 1612883045 HAJLLKHGQWJROE-GOSISDBHSA-N 435.580 2.214 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)CCO1 1613718121 GTNGXOMEWWVQSB-SIKLNZKXSA-N 429.521 2.395 30 10 IEEE C#Cc1cccc(N(C)C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1615691590 BGMRBJPAKIJVRP-QRQLOZEOSA-N 432.542 2.301 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCC(C#N)CC1 1617375622 DZKCXBPICOFKIP-UHFFFAOYSA-N 430.578 2.247 30 10 IEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1617608266 AHFHATBVTUENLS-UHFFFAOYSA-N 449.559 2.134 30 10 IEEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@](C#N)(c2ccccn2)C1 1620484431 XGVJMTGMDSVDQE-HJPURHCSSA-N 435.484 2.447 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 1623472040 ZRTXJARMSFJNRQ-JOCHJYFZSA-N 426.538 2.287 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)ccc1OC 1626631394 GBWADLSJOSQMPB-UHFFFAOYSA-N 425.413 2.022 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)s1 1628758586 GADWZSRGAXLKLK-XLIONFOSSA-N 438.546 2.082 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1640588917 QZLBPESJBDPJNO-JXORXQGFSA-N 430.505 2.079 30 10 IEEE C=C(C)[C@@H](CC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1)OCC 1642000317 GEXXICJZEAWPPH-GOSISDBHSA-N 428.576 2.365 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1nnc(O)n1C1CC1 1643999707 SIWPKINVKYSJQG-GOSISDBHSA-N 438.488 2.341 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CC1 1644285579 RMQWHQUUDUZIIO-CSKARUKUSA-N 433.530 2.179 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1 1645085056 JXTAGAUEYJEGAN-HXUWFJFHSA-N 449.536 2.488 30 10 IEEE NS(=O)(=O)CCCCCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645936696 FZCJDYNRXLKWJR-RKDXNWHRSA-N 446.360 2.465 30 10 IEEE CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1660335537 FRQYKAYTKPTBKM-WDEREUQCSA-N 439.328 2.094 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 1677317674 AALMRRWLVHUCJM-LJQANCHMSA-N 432.528 2.204 30 10 IEEE CCCN1C[C@H](CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1=O 1682136207 GPFBNWMYILKDCX-KRWDZBQOSA-N 437.548 2.125 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689979601 DNUUWNBORARWFR-RTBURBONSA-N 435.638 2.324 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689980689 WFLUUYUATYRBPY-MGPUTAFESA-N 436.603 2.172 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1689982601 QMXVMICXPXBITL-GOSISDBHSA-N 446.598 2.500 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCC)CC1 1690169692 LAZKAHUDWRJPAY-UHFFFAOYSA-N 429.594 2.178 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690230815 REXCHISYCPRVAC-NSHDSACASA-N 425.356 2.209 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690243134 HLQBYVRIRMAKTJ-QRVBRYPASA-N 431.562 2.335 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690430159 DXDULPHNSHRXQC-SJORKVTESA-N 449.563 2.208 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690483411 OSQZREJZXNWPKH-IBGZPJMESA-N 430.597 2.319 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1690560508 VPXLGFMXAGPPQA-IBGZPJMESA-N 444.561 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)NC(C)(C)C)C1 1690688285 RXOVNSXWPHWIPR-HTAPYJJXSA-N 435.569 2.016 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCC(C)(F)F)CC2)c1C#N 1693407007 PRTPFPITDJBOSY-MRXNPFEDSA-N 434.495 2.415 30 10 IEEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)s1 1693445247 JANBQBPIJLYKGA-HNNXBMFYSA-N 449.606 2.103 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1)C1CC1 1698306168 ZHDHLWHQRMVSKD-UHFFFAOYSA-N 440.573 2.092 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C 1705482110 STMHLJFPUQUWIY-MRXNPFEDSA-N 433.578 2.468 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705564293 ANNUTDIWGVHFLC-WMZOPIPTSA-N 444.557 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCC 1705596229 XOZDFHHHPCPUGU-DEOSSOPVSA-N 432.528 2.206 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)C1CC1 1705622660 OWFPHPAULQCFNQ-LJQANCHMSA-N 436.354 2.293 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CCOC)CCC2)CC1 1705634832 KCGPZJGXJNBFCV-DEOSSOPVSA-N 445.608 2.281 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1705651096 JHEJIZAVPNPZIY-AZUAARDMSA-N 436.491 2.225 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705735100 JHHULEFHTVWEPG-MJGOQNOKSA-N 445.568 2.339 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705799864 IFFCASJRKQNDKZ-GOSISDBHSA-N 431.585 2.355 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705810882 KLDRESFELJEYEY-GFCCVEGCSA-N 449.503 2.243 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705907068 YVOFVOYLUZFMFV-MAUKXSAKSA-N 449.939 2.053 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCS(=O)(=O)c2ccccc2)C1 1705925089 LCTLROGPFSDHHQ-MOPGFXCFSA-N 446.573 2.427 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C#N)o2)cc1C 1707522084 LENRZLUKZMQOEH-LJQANCHMSA-N 431.456 2.389 30 10 IEEE CCn1cccc(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)c1=O 1710194491 HHMCXQRPSAXWEX-UHFFFAOYSA-N 433.516 2.340 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C)[C@@H]1CCOC1 1711045723 KHGFJBQWFSYKOU-LJQANCHMSA-N 440.548 2.065 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1712453776 ZWXTVJWSURVTGH-PGRDOPGGSA-N 426.521 2.435 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C1 1712874814 CSMDXVRLFYUDMD-GOSISDBHSA-N 444.364 2.370 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722338663 KKYNKPGIBIDFTB-UHFFFAOYSA-N 431.544 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1722387390 VCBRFXJTNHNZEH-UHFFFAOYSA-N 444.520 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CCN1CCOC(C)(C)C1 1722401353 UTNWPGZURCBSKK-UHFFFAOYSA-N 435.572 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)C(C)C)CC1 1722442979 KYUNUXPSPOBARF-QFIPXVFZSA-N 444.967 2.366 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722503911 DUYKMXOPXACIHM-ZJOUEHCJSA-N 426.565 2.478 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1722603479 JRHVXPYVVOTOAD-ROUUACIJSA-N 425.599 2.450 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722647974 FIUGDKLHLUBLFP-INIZCTEOSA-N 431.562 2.390 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1722681590 NLBSMCJZLPKIOS-JFIYKMOQSA-N 426.583 2.023 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1722693012 BERFVMMOXHLRRR-IBGZPJMESA-N 446.983 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722695433 CKLDBOLKDYOQHM-DEOSSOPVSA-N 449.559 2.295 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(C)=O)cc2)C1 1722709029 ILMMPZURNFPYIQ-FQEVSTJZSA-N 438.532 2.302 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCCn1cnnn1 1722864239 ZZPGVZQDLWZRRY-ZDUSSCGKSA-N 430.314 2.380 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CCC(=O)N1 1723601889 QDVXXBPXMKUJAI-VQTJNVASSA-N 449.559 2.026 30 10 IEEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1728420274 XCPAFNHVGYUFLG-UHFFFAOYSA-N 449.563 2.095 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCO2)cc1OC 1728859946 WMJPFWIRHQIDSO-ROUUACIJSA-N 425.489 2.426 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCC(F)(F)F 1730957488 XIUUSLOSYNVAPM-IHRRRGAJSA-N 435.472 2.026 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1740531239 HUXRWTUSEOCMLB-XOBRGWDASA-N 433.965 2.187 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622096 UIMAAPVVWCWZAZ-LJQANCHMSA-N 444.605 2.086 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1740730718 GXIQPAKDOVUQSZ-ZPMCFJSWSA-N 446.573 2.290 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740761908 PUWPEFZZHUDDLI-AQNXPRMDSA-N 425.533 2.499 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1740774502 UDTBONZQPAIGTH-QHCPKHFHSA-N 438.580 2.333 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740793566 KTFWRITYBAPLGO-AEFFLSMTSA-N 430.578 2.189 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740793623 UXDWUABEVPPOKD-GJZGRUSLSA-N 431.459 2.370 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741115258 SPTLCKBKMNMZOM-UHFFFAOYSA-N 431.500 2.315 30 10 IEEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCS1 1741404892 KCHWUTWRHMCITP-YOEHRIQHSA-N 435.575 2.271 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 1741477816 GLKCRVOOKPJACJ-HZPDHXFCSA-N 446.506 2.278 30 10 IEEE CCCc1nc(C)c(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)o1 1745327694 IMOLMXMKHFSNSY-FCEWJHQRSA-N 430.509 2.028 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCO)[C@H]1CCCc2c1cnn2C 1747623691 MNZNRNVPFTUERD-FQEVSTJZSA-N 435.532 2.463 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1748750487 HYEGWMQHSYOYOM-HDICACEKSA-N 431.537 2.368 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1748760305 ZLFKOMOUIQFMKT-UHFFFAOYSA-N 447.543 2.221 30 10 IEEE C#CCCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748763885 CCPCWNFZEBJPFO-NQIIRXRSSA-N 438.594 2.136 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1748801660 DIWZIARJELPNNY-MSOLQXFVSA-N 430.578 2.111 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1ccccn1 1748960996 UGKDNOWXPGAKIM-UHFFFAOYSA-N 429.484 2.318 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@@H]2C)CC1 1749000388 UVEHAJIUBBOLRD-RBUKOAKNSA-N 427.524 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCOCc2ccc(OC)cc2)CC1 1749011070 ZXECZAYEMMUQDZ-UHFFFAOYSA-N 437.544 2.347 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749037784 ITQGRQDINLSQEJ-UWVAXJGDSA-N 444.557 2.397 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1749127652 NNTBVUMCYFAMMU-PKOBYXMFSA-N 425.537 2.091 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](COCCOC)C1 1749128355 UYGYOSPMMDPGAW-BJLQDIEVSA-N 430.553 2.149 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749189316 FVZLHEJMEKRHHA-TYPHKJRUSA-N 430.597 2.127 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OCCOC)CC1 1749257946 HUQQCOZBNFATIZ-UHFFFAOYSA-N 444.927 2.305 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1749703404 HWAHKJXZCXLSKP-MRXNPFEDSA-N 434.422 2.277 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1749932754 GPQXCBHOEWAXAG-HXUWFJFHSA-N 437.548 2.084 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CCC#N)CC1CC1 1750208144 IJVSBRDITSDJFM-GOSISDBHSA-N 448.618 2.484 30 10 IEEE CC(C)(O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1750530983 QACJSZHHGXIBGY-GOSISDBHSA-N 425.537 2.274 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1760170882 QLXHDWQAICQRNB-UHFFFAOYSA-N 430.516 2.111 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CC1 1760213053 NZWVOQGSPXCNON-UHFFFAOYSA-N 442.541 2.002 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CCOCC2)CC1 1760254600 CEBPEMBXGUCQDD-GOSISDBHSA-N 428.968 2.074 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)c2ccccc2)CC1 1760389843 VMXYCZXGGKJPRX-FQEVSTJZSA-N 443.573 2.481 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCS(C)(=O)=O 1760479918 DXQNMVLCBBDSNN-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760522307 QQYNJPWWXJUELV-BXWFABGCSA-N 427.505 2.097 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760534437 YLMIVXFTSDXZKK-MSOLQXFVSA-N 427.505 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(O)cc1 1760548921 SKSDGOCERMIQPU-SFHVURJKSA-N 447.561 2.064 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCC 1760554156 SYSJZOMOKGMQKA-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1768469645 OZEAPUUPABVKEK-QZTJIDSGSA-N 425.493 2.000 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1769443679 VWLIHTXGPHRPHF-NVXWUHKLSA-N 447.442 2.152 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1C[C@@H](C)O[C@H](C)C1 1770177037 DJKNXOYKVAZTQT-UEDWAMCQSA-N 434.585 2.097 30 10 IEEE COc1c(F)c(F)c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c(F)c1F 1852386572 KXRWVUAAPGQXIQ-UHFFFAOYSA-N 438.381 2.497 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nccc(C(=O)N3C[C@H](C#N)CC3=O)c2Cl)CC1 1853044446 IPTLDJBYCQACLW-ZDUSSCGKSA-N 433.896 2.304 30 10 IEEE N#Cc1ncc(C(=O)N(CCCN2CCCC2)Cc2cn(Cc3ccccc3)nn2)cn1 1853448801 FBJJNAMIVVCZIL-UHFFFAOYSA-N 430.516 2.116 30 10 IEEE C=CCN1CC[C@H](N2CCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)C(=O)C2)C1 1853729319 MKWDMFJTSDFEFH-KRWDZBQOSA-N 429.952 2.090 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccccc2)cc1 1859010760 UTXDEIKDOMYSBC-UHFFFAOYSA-N 442.493 2.057 30 10 IEEE C[C@@H](C(=O)O)N(CCC#N)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1866340253 MTNNPBTVPOQZBW-NSHDSACASA-N 436.262 2.041 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1866866242 GEUCMRZOMQJNAX-OALUTQOASA-N 437.525 2.012 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 1870149677 NGQQSVIJWCRJGY-MRXNPFEDSA-N 446.467 2.143 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN(CCOC)CCOC 1870757905 GMFMJGRYCZYBCX-UHFFFAOYSA-N 429.517 2.147 30 10 IEEE COC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874448920 OQIVCDPBHJMKHA-RNDVCUHJSA-N 436.490 2.303 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891198437 QSZJHXSLBWINSP-GOSISDBHSA-N 439.541 2.427 30 10 IEEE Cc1nc(NC(=O)C#C[C@@H](C)NC(=O)OC(C)(C)C)ncc1I 1902017648 UDBCCYLJSHRUDP-SECBINFHSA-N 430.246 2.245 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)NC1(CC(=O)O)CCN(Cc2ccccc2)CC1 2009893786 LSUGDFTXHDBOPA-UHFFFAOYSA-N 429.517 2.140 30 10 IEEE COC[C@@]1(C)COCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172784444 ONDVSZTZPOZJEO-SFHVURJKSA-N 427.148 2.385 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(O)[C@@H](N)C#Cc1ccccc1Br 2227479105 YAEWRPUPKWCNHC-FRQCXROJSA-N 425.323 2.173 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](O)C1 2254798788 DIIGQHXGISEUNX-GJZGRUSLSA-N 437.321 2.302 30 10 IEEE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2255632931 UIOFKMWQZKFGHV-SFHVURJKSA-N 427.354 2.441 30 10 IEEE C[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255846976 UKIJRHJHGYIIIN-AAEUAGOBSA-N 430.232 2.108 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255874129 JNLIEGOGBJXTPJ-JKSUJKDBSA-N 433.358 2.500 30 10 IEEE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255930975 DGKQDQOXXNZBGY-UHFFFAOYSA-N 445.394 2.133 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066329 AOQKXOQHCLMZHM-CQSZACIVSA-N 434.346 2.151 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256623377 DIQFEFGZALKSLA-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267009658 NPDSLKGSNSCTPR-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H](C)CN1C(=O)OC(C)(C)C 2267137949 QWKPDNVRFHFOED-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2267139038 AKEOINRYVHXODZ-ZIAGYGMSSA-N 448.373 2.330 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267178085 XJUSRVXSGQIQKT-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267180243 YVNNVIBKVTXDIP-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267266553 DQNACPNZNFBWQD-DLBZAZTESA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267269249 CTWULBRUCFCAAC-IAGOWNOFSA-N 449.332 2.458 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC[C@@]3(C)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267489590 WXMNFFBTYNJBMK-XMMPIXPASA-N 436.365 2.418 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C 2267524922 WZUDSRRUYFEACU-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1OC 2296769426 CPGGYKLXJDZCLC-SFHVURJKSA-N 428.397 2.026 30 10 IEEE CON(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2300342030 OQDAJHSNAIDHMQ-UHFFFAOYSA-N 439.343 2.065 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H]2CCOC2)n1C 2315600003 YDNJMYHYHWRACQ-SFHVURJKSA-N 425.338 2.459 30 10 IEEE COc1ccc(CCc2nnc(SCCO)n2N=Cc2ccc(O)cc2O)cc1OC 2326220813 TUACXKMKRZCNHL-UHFFFAOYSA-N 444.513 2.458 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cccn1C 2330740679 CTAWZOJXBMQUFP-UHFFFAOYSA-N 425.518 2.174 30 10 IEEE CN([C@@](C)(C#N)Cn1cc(Br)cn1)[C@](C)(CNC(=O)OC(C)(C)C)C(=O)O 2377552071 JMJVPGZYKJOXHV-DLBZAZTESA-N 444.330 2.228 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3c(F)cccc3F)n[nH]2)cn1 59886868 BGDPJTSGYCGUHQ-IFRROFPPSA-N 436.448 2.103 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccc(F)cc3F)o2)c1=O 101350965 OAZBUQZGHYRMRL-UHFFFAOYSA-N 449.439 2.014 30 10 IEEE C#CCN(CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)[C@H]1CCS(=O)(=O)C1 111047315 MAOFIFLBEUKARM-SFHVURJKSA-N 429.567 2.130 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 238959262 YHAPDCOGZOBBQR-LBPRGKRZSA-N 428.392 2.479 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)c1 443374568 QPYLFQIPJGBHQS-CQSZACIVSA-N 446.485 2.288 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C[C@]2(CCOC2)O1 485090837 IMXDJISEJNMJOD-QHCPKHFHSA-N 436.468 2.481 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 508937502 CSJHJQVUSDSNBV-HXUWFJFHSA-N 431.500 2.298 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCNC(=O)c2ccc(F)cc2)cc1 523354486 YVUQBGAUNFWOMM-SFHVURJKSA-N 426.473 2.357 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cn(-c2ccccc2)nn1 542617687 FUFVPLXMTODTOZ-FXAWDEMLSA-N 435.557 2.388 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](O)(C(F)(F)F)C1 555256254 HCHKEWUNGAMKBD-QGZVFWFLSA-N 444.483 2.318 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1ccc(F)cc1)C1CC1 582873108 MBKBCTSCWSHZOP-LJQANCHMSA-N 449.552 2.148 30 10 IEEE COc1cc(OC)cc(N2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c1 586860800 RDMKFCLGUMEPSW-UHFFFAOYSA-N 440.475 2.070 30 10 IEEE COc1cc(N[C@H]2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)cc(OC)c1 586863969 GSFQHQQEJOLAOO-KRWDZBQOSA-N 440.475 2.434 30 10 IEEE CN(CCN1CCCS1(=O)=O)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 587837885 UTMBVZGICQDEIO-UHFFFAOYSA-N 438.981 2.312 30 10 IEEE CN(C)CCOc1ccc(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 603808246 CATCAQTXKHAWDF-UHFFFAOYSA-N 438.532 2.396 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)CC1 605412369 UJTSLCUCGKWWEA-SFHVURJKSA-N 427.549 2.153 30 10 IEEE C=CCCCN(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 605677163 OYBSCNITFBZSDG-MRXNPFEDSA-N 445.379 2.407 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3sccc3C#N)CC2)cc1OC 609788880 LBUYEAJUKHJUEU-UHFFFAOYSA-N 435.527 2.220 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)CCN2CCCS2(=O)=O)n(-c2cccc(F)c2)c1C 610614848 HOTWMSIOOLSOPJ-UHFFFAOYSA-N 447.536 2.011 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 610808927 HAKYGMQIMSWSEC-CXAGYDPISA-N 429.502 2.239 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)c3ccccc3)sc(=Cc3ccoc3)c2=O)cn1 727418429 ZUYUDBKEEAKGNY-UHFFFAOYSA-N 429.457 2.282 30 10 IEEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732650079 ZOICJPRPPCRWCQ-SFHVURJKSA-N 444.491 2.304 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 749530217 MDSIQSWBNACXMD-GGAORHGYSA-N 448.523 2.415 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCN2C(=O)Cc3ccccc32)C1=O 750917810 XPLQZEXHZQUDHU-GOSISDBHSA-N 440.500 2.483 30 10 IEEE CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 754707588 VRAHNGIGRKIXMC-LJQANCHMSA-N 435.484 2.253 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2c(F)cccc2F)C1 755642505 YFQSDLOEPLPWQQ-CQSZACIVSA-N 448.495 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@H](C#N)C1 757897536 JDFWNDRUYMMXPR-GFCCVEGCSA-N 443.909 2.245 30 10 IEEE N#Cc1c2c(cn(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)c1=O)CCC2 766612667 PZTDOXRAQIIYDU-UHFFFAOYSA-N 426.904 2.043 30 10 IEEE N#Cc1ccc(NCCNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1 768696603 YBMRGKOULIDMED-UHFFFAOYSA-N 433.560 2.397 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)C1=O 771584396 ZZZNANKNBBNVSV-BXKMTCNYSA-N 448.479 2.427 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 780635385 CENBZGMMHSUFPJ-PDSXEYIOSA-N 425.526 2.389 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)n1 790117626 BIPCAPOFPPGWMJ-AYHJJNSGSA-N 428.533 2.327 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@](C)(O)Cn1ccccc1=O 790683302 CXKQHSCVDBIOEZ-YCRPNKLZSA-N 429.498 2.175 30 10 IEEE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(C#N)c(F)c1 791240220 XBACMKGHGWANNS-DIFFPNOSSA-N 426.853 2.122 30 10 IEEE Cn1c(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)nnc1-c1ccccc1 807963505 CZWBULWQYVADOU-UHFFFAOYSA-N 435.307 2.338 30 10 IEEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 814250729 YCFOFPOZELAFRN-UHFFFAOYSA-N 434.484 2.198 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 914680209 RUTBPQYMDSYDNG-OAHLLOKOSA-N 442.493 2.464 30 10 IEEE CCN1CCN(c2ccc(CN3CC(=O)C(=C4N(C)c5ccccc5N4C)C3=N)cn2)CC1 917140866 VAJQEYHEIFCJEF-UHFFFAOYSA-N 445.571 2.383 30 10 IEEE CC(C)(C)NC(=O)CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084064735 TURYCSNEKATDEK-UHFFFAOYSA-N 436.454 2.464 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2nn(C)cc2C#N)c1 1126631382 HSDFOTQFIDMMCP-UHFFFAOYSA-N 440.323 2.337 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1 1137377227 GGNOMNVFBBARTM-UHFFFAOYSA-N 432.542 2.283 30 10 IEEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1153874726 LDWLEHZZXUIVIF-ZDUSSCGKSA-N 434.543 2.113 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(CC(=O)NC2(C#N)CCC2)CC1 1197807878 AEUHBIGIDXLFCM-KDURUIRLSA-N 431.581 2.097 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)C1 1225939354 YXDXMNQHYDBSAP-ARFHVFGLSA-N 449.552 2.444 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(N3CCCNC3=O)cc2)C1 1233851377 GVSBQBYKFJXJAD-FUHWJXTLSA-N 442.520 2.165 30 10 IEEE C[C@@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)COc2ccccc2O1 1280434714 DYKORQTVDJCBAH-GAJHUEQPSA-N 434.452 2.110 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286322379 BRSSFQAOWHBKTR-RBUKOAKNSA-N 434.548 2.352 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1286393808 SEEXROINNRCFBA-YQVWRLOYSA-N 432.521 2.057 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1286440028 KUNXITLMJTVXIM-LNVKXUELSA-N 441.495 2.479 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1286454699 ZXGWHWHLTSYEFI-LJQANCHMSA-N 425.533 2.353 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1sc(C)nc1C 1286461926 ZRRYHKBLKWMIJR-UHFFFAOYSA-N 439.545 2.327 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286477346 XUWLVYGYOBNJFH-SFHVURJKSA-N 439.564 2.428 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1286528190 QYKSRRYRHODTSZ-OAQYLSRUSA-N 440.573 2.307 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286546968 LXVTUXPIDRUULP-STSQHVNTSA-N 447.580 2.172 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286557186 HMMRFXDGEUELAS-RXVVDRJESA-N 425.533 2.490 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNS(C)(=O)=O)CC1 1286640530 JZPWLRIHJONDFL-UHFFFAOYSA-N 425.942 2.313 30 10 IEEE C=CCCOCCn1c(COCC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286713712 DRIUCSGNPMQBGX-UHFFFAOYSA-N 426.583 2.345 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286769633 GBDFODGFCUUXCH-HSZRJFAPSA-N 443.548 2.458 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286789381 FVNRQVWBVUYMAS-UHFFFAOYSA-N 428.581 2.198 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)C1 1286806775 DVELZCKYAWHDOG-MRXNPFEDSA-N 441.429 2.468 30 10 IEEE CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)cc1 1286896351 LDMQNJVGRLDGGU-LJQANCHMSA-N 437.529 2.369 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)c1C 1289092384 GYHQXEYSXSZRBB-QFBILLFUSA-N 440.548 2.490 30 10 IEEE C=CCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)C(=O)OCC 1296420540 KXCRRGYNRNUOEM-LJQANCHMSA-N 438.480 2.334 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1300991865 WRZHRLIVMVQCBH-LAUBAEHRSA-N 440.610 2.414 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCN(C)CCOC)CC1 1301085430 JVXHSQBQUQFDFW-UHFFFAOYSA-N 440.596 2.187 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OCC)CCOC1 1301520162 UZTHFWRKWJGQKA-OAQYLSRUSA-N 435.475 2.147 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1303751188 HSKOOFMRAJFIRO-HRAATJIYSA-N 445.568 2.443 30 10 IEEE Cc1cccc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1304444384 HXFFKODMQWPDIH-UZLBHIALSA-N 434.541 2.190 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)cc1 1304565422 GVEXCELFISZJME-UHFFFAOYSA-N 440.481 2.483 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1304955816 ABHSBBQQNAXMQJ-UHFFFAOYSA-N 440.525 2.447 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cc1ccccc1 1307752887 LOTXMAAQXXIZGK-UHFFFAOYSA-N 445.972 2.308 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1314883978 HVZYZCACJICZQS-UHFFFAOYSA-N 431.500 2.222 30 10 IEEE CNC(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1315048168 QSYKKHUCZDOLFM-IBGZPJMESA-N 430.516 2.202 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1316387662 NKUDYYAETRKMCD-YCRPNKLZSA-N 426.546 2.197 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)F)C1 1316532799 WBUVWCAKDHXKRC-QGZVFWFLSA-N 428.440 2.341 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2CC)c1 1358902181 GWGRNSHQQOWLGG-OAQYLSRUSA-N 446.559 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358995745 DFHOIYLPYOUHHE-FQEVSTJZSA-N 444.514 2.210 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(F)c2)CC1 1359030678 BIQCKXVPRDYREG-QHCPKHFHSA-N 427.524 2.067 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccsc2)CC1 1359031513 FTSRPIMGQUHXMT-UHFFFAOYSA-N 441.582 2.214 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)COc2ccccc2OC)CC1 1359036115 NHJQIFOBDSRXFB-WOJBJXKFSA-N 439.560 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=C)Br)CC1 1359043128 HZVFLXOIFXDAMU-UHFFFAOYSA-N 431.338 2.158 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1359229859 XDIIAMUKQRTHGD-LJQANCHMSA-N 431.512 2.110 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)C1 1359315335 SHJMERSXVPLERR-SFHVURJKSA-N 429.477 2.176 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)CC[C@H]1C 1359326464 ATBHTOILIMPEEG-HZPDHXFCSA-N 425.599 2.422 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1359476531 GPCFSDJSQVBBTB-ZDUSSCGKSA-N 432.326 2.202 30 10 IEEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1360385309 BVCKPHAOFUBCLK-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1440682215 HWYLHVMJXFBTGK-DNVFCKCGSA-N 446.523 2.295 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2cccc3cccnc23)s1 1442868811 BFQVAKFYEOFQOJ-UHFFFAOYSA-N 444.538 2.058 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC(Nc4cccc(C#N)c4)C3)CCC2)C1 1454243380 FRNMZOHJVUIDKW-UHFFFAOYSA-N 426.517 2.333 30 10 IEEE C=CCCCN(CC)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1463240365 NVNGVVGJUBQDQE-UHFFFAOYSA-N 433.530 2.390 30 10 IEEE N#Cc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1Br 1463955600 HSNDKXHSNUADLD-UHFFFAOYSA-N 429.322 2.053 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)s1 1467604275 XQPFURFJZLOEFI-MRXNPFEDSA-N 447.582 2.266 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)CCS2(=O)=O 1469469757 BMTPITFLPXUVCA-IOBOIYPZSA-N 433.530 2.230 30 10 IEEE C#CCN(C(=O)Cc1cccc(OCC(=O)NC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882688 SEDJHKXUXVWYQB-UHFFFAOYSA-N 443.544 2.215 30 10 IEEE CC1(C#N)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)C1 1475917395 FTLWRCDFKHVIOA-UHFFFAOYSA-N 447.561 2.075 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)NC(C)C 1499046116 JFGDELDVQBOEJZ-FQEVSTJZSA-N 444.605 2.499 30 10 IEEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1500068024 DGIOKQCYSPPJNH-KRWDZBQOSA-N 446.577 2.389 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCS(C)(=O)=O)c1 1507551739 GWRYCCRLZHABOG-UHFFFAOYSA-N 443.573 2.112 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1507571981 TWGJCPDLQTUTDN-KSZLIROESA-N 430.509 2.075 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507596037 ZXHFBSLEXKPEFY-NRFANRHFSA-N 425.533 2.229 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(C)cc1 1507653108 LLVCZTJSJDIMJJ-RBUKOAKNSA-N 426.542 2.029 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1507682952 YQJAOFRTAWPXRN-UHFFFAOYSA-N 442.321 2.320 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1507820044 ADDXFWUSRVFYTP-INIZCTEOSA-N 432.550 2.122 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1508078408 AGJMHVNOIZMWCR-IAGOWNOFSA-N 442.564 2.183 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCCC2=O)cc1 1508420430 BAXWNVLZXBGXQB-QGZVFWFLSA-N 432.532 2.445 30 10 IEEE C=CCOc1ccc(CC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 1533830127 NRYPRCFNJGODLG-UHFFFAOYSA-N 436.468 2.313 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCOC[C@H]1OC 1534049523 CCGWHMKEXURLIA-CZUORRHYSA-N 427.295 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1539017369 ZZCVMPFXIHTZDB-JKSUJKDBSA-N 439.541 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCCC)CC1 1539475324 BTPTYJIOULUOEQ-UHFFFAOYSA-N 447.543 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCC)CC1 1539477438 MRJDPYNUWGYCFS-UHFFFAOYSA-N 447.543 2.091 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(CC)noc2C)CC1 1539481888 PLBSFODAXPJTPE-SFHVURJKSA-N 440.548 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1539489207 SBXPMNWKTWNSMJ-UHFFFAOYSA-N 446.433 2.257 30 10 IEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1539729719 KMXWOWLMXAAOMR-KRWDZBQOSA-N 439.568 2.388 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539924678 XBFMHXVWLBCNHA-SFHVURJKSA-N 437.548 2.339 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)COC1 1540140477 WOCLJMGISGYIEA-CQSZACIVSA-N 425.580 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 1540549911 BNSJLDATHQYMFP-CVDCTZTESA-N 428.533 2.157 30 10 IEEE Cc1ccccc1OCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1542784930 KFAZJFLPUCEZRS-XXBNENTESA-N 441.532 2.435 30 10 IEEE Cc1nnc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543364751 PHMQGEBWPHIUJS-AYSUFWJXSA-N 440.479 2.218 30 10 IEEE COc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1S(C)(=O)=O 1544925850 BKQBJELAYYTEIN-UHFFFAOYSA-N 429.498 2.485 30 10 IEEE C[C@@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1558715847 CFWFIPRKWKLMHE-LZWOXQAQSA-N 435.546 2.130 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2(CC1)C[C@H](O)CNC2=O 1560195867 MWOAAWBGNDSBOE-GJZGRUSLSA-N 430.574 2.179 30 10 IEEE C=CCC[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OCC 1569184507 PMDRGNVBHQCFQU-OAHLLOKOSA-N 432.336 2.378 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 1583099816 KZZBYMUIOPZCKQ-UHFFFAOYSA-N 441.553 2.479 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2ccco2)C2CCN(C)CC2)s1 1585123722 UGQLQKQVROZWER-UHFFFAOYSA-N 437.587 2.471 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@]3(c4ccccc4)CNC(=O)C3)c(C#N)c2N)cc1 1587342179 WLZWFZIPUWBCHY-VWLOTQADSA-N 442.523 2.141 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587823706 WICNGPRNPUFBQM-FQEVSTJZSA-N 445.571 2.363 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2c(F)cccc2F)CC1 1588750107 BRUDYIBLVMMXBP-QGZVFWFLSA-N 433.503 2.278 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1594732930 JOSYDPJBBPPRLW-CVEARBPZSA-N 436.557 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595530004 PGMPPXJJLTYYFT-HNNXBMFYSA-N 429.525 2.069 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1595545624 ZSTUMOZBBIHNCK-IAGOWNOFSA-N 445.593 2.162 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 1598382323 WHKLFRNXFKWZKU-OAHLLOKOSA-N 432.523 2.356 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1609766743 DYFBILMLQNNFHD-GOSISDBHSA-N 433.520 2.201 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(C)cc2)N(C)[C@@H]1C 1613902911 GVJJTLHLJYQCKY-JMJHOWBJSA-N 426.560 2.430 30 10 IEEE COc1ccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)c(OC)n1 1619291548 WYBRYAIZGSQEME-OPAMFIHVSA-N 444.536 2.375 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1619622633 QPLKFZZYGBMNJH-RBUKOAKNSA-N 428.512 2.355 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1620019172 KTJOVROMPDGEKD-UYAOXDASSA-N 445.612 2.053 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1 1623010506 BGQIBXQAWOPDGJ-LPHOPBHVSA-N 431.470 2.293 30 10 IEEE CC#CC[C@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1628508473 RRFVBNDMEQFHGC-QZTJIDSGSA-N 432.521 2.246 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)CC1 1629028073 PVNPMPQUAVVTEB-KBPBESRZSA-N 428.411 2.056 30 10 IEEE CCCOc1ccnc(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1632254132 ZLURQBBEPGFDIP-UHFFFAOYSA-N 431.500 2.418 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)C1 1634107910 HXRLRDNTLYTOAT-NRAANUMRSA-N 426.517 2.355 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H](CC#N)C(F)(F)F 1638790309 GCLHJMWMULESKK-HOTGVXAUSA-N 449.451 2.112 30 10 IEEE COC(=O)CCSCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639511230 JBMJLFXCUPTESP-UHFFFAOYSA-N 426.336 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C2CCC2)C1 1640035515 OPFFLPHNKWXBGA-UHFFFAOYSA-N 447.557 2.473 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 1640217916 ARTFATAURXSSOG-KRWDZBQOSA-N 428.470 2.221 30 10 IEEE Cc1onc(CC(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1641194396 DCQYQTDJEARYCT-CQSZACIVSA-N 430.530 2.143 30 10 IEEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccsc2C#N)CC1 1643810755 CETNYNRFVXOWKO-AWEZNQCLSA-N 441.513 2.250 30 10 IEEE Cc1[nH]nc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1I 1643921892 ADEQFRHLQMEUSP-UHFFFAOYSA-N 448.217 2.011 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCc2ccccc2Br)c1=O 1644137178 VQJOKWSOLMVESN-UHFFFAOYSA-N 434.290 2.229 30 10 IEEE COC(=O)[C@@]1(C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H]1C 1648010102 GAARXMQMEIUFNF-UAVUOLJFSA-N 442.560 2.487 30 10 IEEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1Br 1651364870 OJHVIPVIAGODGI-NSHDSACASA-N 437.319 2.150 30 10 IEEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H](S(=O)(=O)N(C)CCOC)C3)cc2n1 1673220659 NTNFKQVQWRHQQV-SFHVURJKSA-N 435.550 2.127 30 10 IEEE C=CCO[C@H]1CCN(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)C1 1675516400 PNBZHCXAUBZVOF-INIZCTEOSA-N 434.541 2.160 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)NCc1nc(C#N)cs1 1676392424 FVCFCQZYZMMURX-LLVKDONJSA-N 439.335 2.436 30 10 IEEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)O2)[C@H]1C 1681515112 FRQKPGUAODTLID-CNVCQNNASA-N 426.517 2.325 30 10 IEEE CC(C)O[C@@]1(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCOC1 1687682690 VWJJQJQCDXXCKW-JOCHJYFZSA-N 444.511 2.281 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1690054505 ZUHBAJLNHRFTLA-UHFFFAOYSA-N 430.512 2.237 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Br)cn1 1690087251 PPJCHVSEBVIJFE-HOCLYGCPSA-N 437.342 2.121 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1 1690092223 AMMWBAVTIXOXMI-OALUTQOASA-N 439.564 2.132 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690249286 WOFNRRYNDPUHOQ-SCTDSRPQSA-N 439.626 2.318 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN(C)CCC)C1 1690665729 NTGSRIJMHYDBFR-INIZCTEOSA-N 431.972 2.464 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690673683 ABUOVRYQEGLQQJ-GOSISDBHSA-N 437.548 2.091 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)C(C)(C)C)C1 1690709451 HODVAIACTDJGPO-SFHVURJKSA-N 433.578 2.259 30 10 IEEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1695368650 TYBKMGJVRFTXGN-HXUWFJFHSA-N 448.637 2.432 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1ccccc1 1705533258 WPDAQKYBOXPOSE-QUCCMNQESA-N 445.589 2.264 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCn1cc([C@H]2CCOC2)cn1 1705587346 QYESDJLSJLPJIO-IBGZPJMESA-N 448.502 2.470 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1705603085 MVZMTURYZNOPNP-UHFFFAOYSA-N 427.472 2.014 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nnc(C)s1 1705628776 OTHJBUMCCAFULJ-QGZVFWFLSA-N 426.502 2.085 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705693447 GRJAPFMMHCFRHQ-MHORFTMASA-N 442.568 2.305 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705890271 HJOGQJLYXKCVJU-FQEVSTJZSA-N 430.597 2.129 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1705900848 RRALNYXEFHYJOE-KRWDZBQOSA-N 435.532 2.437 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncccc2N(C)C)C1 1705929357 PDCBRYAPJMQIPV-IBGZPJMESA-N 436.564 2.430 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705947186 CVMGPDZSNLZXTH-HNNXBMFYSA-N 427.621 2.176 30 10 IEEE C=CCSCCn1c(N2CCN(c3ccc4nncn4n3)CC2)nnc1C(C)(C)C 1705950008 PFLILXHSQCOGSO-UHFFFAOYSA-N 427.582 2.259 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706529573 MAKCLQPDFKROIB-YGCDDZCOSA-N 439.520 2.051 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCSCCCO)CCN1C1CC1 1712882823 GZRAMRSEVVLUGQ-KRWDZBQOSA-N 447.996 2.286 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CCOC[C@@H]2OC)c1 1722307906 YQFGAVKFZWLBNK-CTNGQTDRSA-N 437.544 2.338 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722315309 KYEKMFIIDJSARX-DLBZAZTESA-N 427.578 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(-n2cncn2)c1 1722383904 YWJORIANAHSLEK-UHFFFAOYSA-N 428.525 2.336 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1722457901 RRYBHADLOVBCLJ-PBHICJAKSA-N 426.521 2.353 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 1722459200 FRTSPAQLYLFFSU-SFHVURJKSA-N 447.630 2.119 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722493382 JJKSDTIKJYSATL-FPOVZHCZSA-N 445.589 2.469 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1722537443 YHLQFTNTJVRDKF-UHFFFAOYSA-N 432.500 2.050 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722548902 VVRKLNKHJVKKPB-BEFAXECRSA-N 431.972 2.025 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1722637143 FMWHZVALZOUDTC-QMHKHESXSA-N 438.532 2.398 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1722706474 TWSTWIJYABAGTA-SFHVURJKSA-N 442.539 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1722731387 JNTQNFIWJYKLNE-IAGOWNOFSA-N 429.546 2.422 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1722737069 RYULIQFJFTZZPN-UHFFFAOYSA-N 434.532 2.410 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1722739026 RYQYWFXTDWQULE-KRWDZBQOSA-N 428.624 2.352 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1723016892 NPJQDWQECPUDPS-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1727103203 MZIROADGWXYNGD-AWEZNQCLSA-N 425.537 2.415 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1728450074 KDTYFXRABUSWOO-FMQUCBEESA-N 440.552 2.153 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1731185420 BNYPHWVUXRTRIZ-MRXNPFEDSA-N 439.486 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1740557433 NBNVWEVBXXRUFB-LBPRGKRZSA-N 446.360 2.171 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(F)c2)CC1 1740710282 VFSRYNIJGOGEKY-HXUWFJFHSA-N 425.508 2.477 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740746284 HQKOPEKQELZPJP-QGZVFWFLSA-N 444.337 2.274 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740792301 HDKMKPYBFRLNFQ-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1)c1ccccc1 1740797741 SRKFJFHZTUZZTH-XMMPIXPASA-N 438.576 2.431 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1740873320 PQSZWXRBUVRQFB-IBGZPJMESA-N 447.609 2.476 30 10 IEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOCC1 1740884599 GNZQERYZWPNJLL-UHFFFAOYSA-N 438.532 2.494 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1740932314 LMWUBRSMBXCMDR-MRXNPFEDSA-N 441.623 2.075 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1740941425 KITZTCKUSAYAIC-KRWDZBQOSA-N 433.578 2.192 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 1740977774 YDOUHHFOXWQWBG-KRWDZBQOSA-N 431.541 2.327 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1 1742298376 BYMDLEOOBYLKQB-LAUBAEHRSA-N 429.546 2.413 30 10 IEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)N1CCCC1 1744123641 BNRMDWSGKOLWFK-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1745013710 IUJSXJYOBYBURN-UFOSLELVSA-N 427.534 2.131 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748724187 NLTCZEYYOISGNF-UYAOXDASSA-N 426.517 2.329 30 10 IEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1748731303 ZZCODEFMXQAPJG-KRWDZBQOSA-N 430.553 2.432 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCCCC2)CC1 1748732243 WTLBSTMOGCASBG-SFHVURJKSA-N 436.626 2.004 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1748743972 RMKIDFOYGVHOSM-QHCPKHFHSA-N 436.516 2.182 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CC1 1748956553 GUAHMLUCKDYBHD-UHFFFAOYSA-N 435.322 2.327 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749049276 HPPWSKGAXKAIKY-GOSISDBHSA-N 444.561 2.191 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCNS(=O)(=O)CC)CC1 1749288393 VCUDVSWDCWSZEO-UHFFFAOYSA-N 449.577 2.448 30 10 IEEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1750387727 ZMCGBFMYAWZJHP-IRXDYDNUSA-N 442.486 2.318 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1751090309 ASDCOOIDKDCFFW-MRXNPFEDSA-N 439.545 2.377 30 10 IEEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1752429422 HYDBMVJOFULQOP-DSGGYQJVSA-N 449.540 2.285 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1760096994 YQXNTNATPPORKY-MRXNPFEDSA-N 427.472 2.012 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760185151 QODHTKXRBJFSPS-WMZOPIPTSA-N 445.564 2.194 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760190605 XVNPJVGEHDGJRQ-GUDVDZBRSA-N 443.573 2.090 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N2CCOCC2)CC1 1760208435 SNRXPQPBHGHJAL-WOJBJXKFSA-N 425.577 2.134 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1760232950 GPTJQDJBOCOOSV-RTWAWAEBSA-N 441.601 2.477 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1760237251 BPXLUERIJOTHAL-UHFFFAOYSA-N 444.561 2.208 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760279891 ARSPGOYGBGDZIP-OXJNMPFZSA-N 440.635 2.188 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1760373777 BSRLXKRFDVHHKH-QWHCGFSZSA-N 444.945 2.050 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1760495915 ZVIDGAZHAQRLAQ-SLQAJWMNSA-N 448.614 2.285 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1760524090 PCUSEDAZMPNIBH-QGZVFWFLSA-N 444.967 2.454 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1760526303 KNDPMSXPUQDPMW-HZPDHXFCSA-N 426.546 2.361 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCOCC1 1761036884 LKROJJMIVITSRK-UHFFFAOYSA-N 439.564 2.001 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCSC(F)(F)F)CCOC1 1761291107 HUSXVSUPHONSQW-CZUORRHYSA-N 435.472 2.300 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1762179192 SXQVKFFFQZCEBO-UHFFFAOYSA-N 427.530 2.462 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H](C(F)(F)F)O1 1763083678 ZTPINFMXNLCMER-XKQJLSEDSA-N 437.422 2.388 30 10 IEEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1766135092 MYTJAYFVZUSBMC-IBGZPJMESA-N 449.559 2.180 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1767599444 SKWQNDUCPAWZOK-CQSZACIVSA-N 426.452 2.327 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1768265107 AOBOUIQSENULTN-UHFFFAOYSA-N 446.577 2.178 30 10 IEEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1770138510 PEPAHZHSTPAAFS-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCCCN2CCC[C@@H]2CO)cc1 1771532579 GPMNRMSVIFBMAN-JOCHJYFZSA-N 438.576 2.262 30 10 IEEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1772515805 YVHJMESXBVLCCN-QFIPXVFZSA-N 447.587 2.449 30 10 IEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ncc(C#N)c4cccnc34)cc2)CC1 1850047451 PLKRNGFRYKZPGH-UHFFFAOYSA-N 428.452 2.058 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)cc1C 1851203124 DNQJYCPVUXPNNC-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)NCc3nc4ccccc4n3CCN3CCOCC3)cnc21 1852112374 HAQUPZYMSTWCIA-UHFFFAOYSA-N 443.511 2.057 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccccc2Cl)C1)[C@@H]1CCN(C)C1=O 1857096263 JPUHWLWSEBCOFO-SJLPKXTDSA-N 433.936 2.203 30 10 IEEE N#Cc1cccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)c1 1858411839 PTXNVOWDJWYCAL-KRWDZBQOSA-N 438.509 2.334 30 10 IEEE Cn1cccc(C(=O)N2CCN(c3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)CC2)c1=O 1860866424 ZVDALMAXBPIBCS-UHFFFAOYSA-N 441.491 2.472 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc3c(c2)OCCO3)cc1OC 1862573944 KMYDZHBPTZXZNJ-FQEVSTJZSA-N 441.436 2.046 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(OC)c(O)c1 1864188253 WLFHOGFRDQXUCD-LJQANCHMSA-N 433.468 2.287 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866026554 QFGDQASRLVVXDD-UHFFFAOYSA-N 448.370 2.241 30 10 IEEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870418841 CLOPNXKXUXEOAO-UHFFFAOYSA-N 434.533 2.485 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987532618 LRDZEJNZWWWVGH-BZUAXINKSA-N 427.542 2.332 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1 2010229572 PVSGKSLSGRSSKX-HYBUGGRVSA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCNCc2occc2B2OC(C)(C)C(C)(C)O2)CC1 2039818966 NJLQJNREIVXHPC-UHFFFAOYSA-N 435.374 2.221 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247836795 ILSUJQGREWDJPE-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)C2CCC2)n1 2247901710 OOUIHCLGJUSZMK-UHFFFAOYSA-N 431.367 2.463 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](CO)C1 2254803141 QXFSUFDCSJQYMO-RDJZCZTQSA-N 433.358 2.411 30 10 IEEE CC(C)[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255629229 SIKIWZZGGUBMDO-CQSZACIVSA-N 436.362 2.378 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255638300 MXFCHAUGDOJYJG-ZYHUDNBSSA-N 447.288 2.114 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255697123 DPPZDVOMBWUGSQ-UHFFFAOYSA-N 433.358 2.263 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826701 RGCDKPFLYCNKDZ-KGLIPLIRSA-N 434.346 2.132 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)ns2)OC1(C)C 2255833628 GKURKNXWCSCZRZ-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256617706 LLLKJMQDCOJWBB-YEJXKQKISA-N 449.382 2.316 30 10 IEEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256625149 RZPDFJWQGAGMOI-HNNXBMFYSA-N 434.342 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2256674582 ACEBYOJJCOYMDR-XLOAEROZSA-N 432.326 2.343 30 10 IEEE Cn1nc(C(=O)N[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267137012 JKPYMOVMPSNXNE-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267500965 QYJFRVIWFXPXLJ-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cc1cnc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2267582414 ZJZWMPDUYWRBLC-QLPKVWCKSA-N 443.353 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267615020 WQDBTISBMZPIDG-HZPDHXFCSA-N 446.357 2.342 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271384932 HDXVUQDRQNQYAH-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC#CBr 2271459986 GSWIBVVOYUGCBG-ZDUSSCGKSA-N 427.295 2.396 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C 2317604018 WJZJOCOQIDLRIZ-AWEZNQCLSA-N 438.330 2.157 30 10 IEEE Cc1ccccc1C=NNc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659618 BXJBZKUTJVNGQQ-ZDUSSCGKSA-N 425.308 2.120 30 10 IEEE O=C1C[C@@H](c2nnc(SCCO)n2N=Cc2ccccc2O)CN1Cc1ccccc1 2325924717 WBUNLAKRBUJYGA-GOSISDBHSA-N 437.525 2.466 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc(F)c2)cc1OC 2326737736 LMZVGWZGMFJPJA-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1OC(C)C 2330742661 PLAHZLIUKPEGTG-UHFFFAOYSA-N 432.550 2.202 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337200672 LICSAAWSFXXRGK-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE N/C(=N\OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 15572861 SOMMUKNTOJIECN-UHFFFAOYSA-N 436.921 2.400 30 10 IEEE CCN(CC/C(N)=N/O)S(=O)(=O)c1cc(Br)ccc1Br 42454007 LFMQLYAOOVYZBO-UHFFFAOYSA-N 429.134 2.359 30 10 IEEE COc1ccc(-c2nc(SC)nc(N[C@H](CCC(=O)O)C(=O)O)c2C#N)cc1OC 62048746 USZZRTQYHONZOI-GFCCVEGCSA-N 432.458 2.484 30 10 IEEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccc(Br)cc3)C2)c1=O 101764778 SCXTXKAHGRENQF-AWEZNQCLSA-N 447.289 2.278 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 103937008 IUHKYCIVZUGVIE-CCCHMHNHSA-N 432.502 2.441 30 10 IEEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(CCc5ccc(F)cc5)CC4=O)nc3c2)CC1 170178735 ACQQTRVECGWUKR-UHFFFAOYSA-N 434.519 2.209 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc2C1=O 170525911 TZRWIMBJWKEKFD-UHFFFAOYSA-N 430.424 2.024 30 10 IEEE CN(C)CCCN1C[C@H](C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)CC1=O 170574433 LEUYNBPYRVWEHU-QGZVFWFLSA-N 431.500 2.031 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2cccc(C)c2)C1 203567556 NPUHARXPMDMMBO-IXDOHACOSA-N 435.484 2.082 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 439754099 GTYZDZSGZXWQBO-QZTJIDSGSA-N 439.903 2.777 30 10 IEEE CC(C)C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 461292843 JUWYZLVAYCFFAG-GUDVDZBRSA-N 432.484 2.443 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccccc3C#N)c2=O)o1 478846985 YESTZZGVBMYZDK-QGZVFWFLSA-N 445.500 2.171 30 10 IEEE CC1(C#N)CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 506012442 KMTSZBFOOXCJEO-UHFFFAOYSA-N 430.574 2.376 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCCC(=O)NC)CC1 508492391 JINLDBLBWDCSKB-UHFFFAOYSA-N 437.342 2.343 30 10 IEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508886401 AHMAOFGIAHEJIR-UHFFFAOYSA-N 447.605 2.240 30 10 IEEE C=CCn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 508958759 BXQPMWYVERDCLH-INIZCTEOSA-N 435.532 2.308 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OCC)cc1 514406422 GLWBIKFUGNGENH-LJQANCHMSA-N 449.577 2.222 30 10 IEEE C[C@@H](C#N)CN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C1CC1 533595805 CEJBHDRHCIJNJE-KRWDZBQOSA-N 430.574 2.374 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccc(F)cc3)c2=O)c1 538496424 IIGRMFJRMUYCIK-UHFFFAOYSA-N 437.496 2.478 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC(=O)N1Cc1ccccc1 544612963 HARZMJSYEZBVON-WTNAPCKOSA-N 445.523 2.148 30 10 IEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2nccc(OC)n2)CC1 555238201 GWDKDFVQMQPXSX-LJQANCHMSA-N 449.515 2.492 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3C[C@@H]3CCCO3)CC2)c1C#N 555386957 SKJIPEWWXWYWIH-IBGZPJMESA-N 438.580 2.430 30 10 IEEE N#Cc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H]4CO)cc3)CC2)cc1 561084302 ODMQAHXVDIPLAN-IBGZPJMESA-N 425.510 2.374 30 10 IEEE COc1cccc(N2C[C@@H](C(=O)NC3CCC(Oc4nccnc4C#N)CC3)CC2=O)c1 585355895 RSGBEMKYAUXKNA-HJOIGYKYSA-N 435.484 2.216 30 10 IEEE CCCOCCOC(=O)C[S@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 586297923 AMCVLAVHOXALRK-DBDZUICISA-N 426.560 2.402 30 10 IEEE COc1ccc(-c2nnc(S(=O)(=O)Cc3ccnc(C#N)c3)n2C[C@@H]2CCCO2)cc1 586752031 ZCEYVOWFKGSJGS-IBGZPJMESA-N 439.497 2.373 30 10 IEEE C[C@H]1CN(Cc2csc(NC(=O)N3CCN(c4ncccc4C#N)CC3)n2)C[C@@H](C)O1 603649160 LUKZDMGYTWDMQR-IYBDPMFKSA-N 441.561 2.373 30 10 IEEE C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669814308 BQAYKMNEHSJZEB-DYESRHJHSA-N 426.540 2.183 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC(=O)N(CCC#N)CCC#N)CC1 727558159 YDXDXINSIMNJKM-UHFFFAOYSA-N 439.516 2.150 30 10 IEEE Cc1csc([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 727949405 RHFCFARBDQOLFF-GWKQSCENSA-N 449.558 2.080 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CCC2)c1 730461441 OTONZUKZZOMGPR-SFHVURJKSA-N 431.562 2.197 30 10 IEEE Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706729 MZMOLXNIYKKBJQ-FQEVSTJZSA-N 431.496 2.385 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)C2CCOCC2)n(Cc2ccccc2)c1C 735944306 GWLDCGUPRULDSO-OAQYLSRUSA-N 425.485 2.294 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 742501410 UBOWAAXGKWLEJM-RXVVDRJESA-N 444.576 2.335 30 10 IEEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 742662821 FZIQDRQGWQXEHC-DYTRJAOYSA-N 436.497 2.111 30 10 IEEE COC(=O)c1nn(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)c1Br 744137601 VKCKZHIYZIQJKH-UHFFFAOYSA-N 449.309 2.257 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 748881521 WAWWKALABKAQMO-HUUCEWRRSA-N 442.493 2.462 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCSC)c2=O)cn1 751833052 YVQIDAVJCNFQHQ-UHFFFAOYSA-N 432.615 2.388 30 10 IEEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 755202683 LTVPSCQIGWONGJ-QRQLOZEOSA-N 449.573 2.080 30 10 IEEE C#CC[C@H](NC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757463173 KXBKMDHBJSCPDP-FSSWDIPSSA-N 448.475 2.275 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)C[C@H]1CCCO1 760772597 IXLOZIIRHJLPRI-GOSISDBHSA-N 429.521 2.018 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 764739522 CQKPPSUOBUMADP-WMLDXEAASA-N 441.492 2.285 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCC2)CC1 771075131 YBCJMNYVKXQHEO-UHFFFAOYSA-N 432.546 2.090 30 10 IEEE CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 771214918 FEOQVMASWUMTNS-HNNXBMFYSA-N 435.322 2.374 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CCN1C1CC1 778611359 GVHHBWDUNUYHOZ-ROUUACIJSA-N 446.935 2.425 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccc(Br)cc2)sc(=Cc2ccn(C)c2)c1=O 788522285 GCEUPFCJUQSBKA-UHFFFAOYSA-N 442.338 2.417 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)n1 788813349 FAKJOQWEHQRLRO-HSZRJFAPSA-N 442.491 2.242 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(COC)(C(=O)OCC)CC3)ccc2c1=O 794333797 ABGVTBLSNDRJHZ-UHFFFAOYSA-N 445.541 2.303 30 10 IEEE C[C@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C(=O)NC1(C#N)CCCCC1 796410456 CTZFJQKFJQAINU-IEZWGBDMSA-N 443.548 2.383 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)OCC)c1 799034153 HLEYDZAHPWYGRA-IBGZPJMESA-N 448.928 2.156 30 10 IEEE CCOC(=O)N1CCC(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 802996270 JEMVQJIEEOVCMT-GOSISDBHSA-N 437.518 2.029 30 10 IEEE COCCOCc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1 808133355 OZAJRNUCFLFKLU-UHFFFAOYSA-N 435.480 2.228 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(F)c2)c1=O 838179898 HYLIKVMWNQSIDH-UHFFFAOYSA-N 438.480 2.090 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cn1 1084647557 YHYLAHPXRGPHAN-AWEZNQCLSA-N 427.538 2.185 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CCC3(CCOCC3)CO2)c1 1125418390 FCNLQKHGGQNGNO-QFIPXVFZSA-N 440.540 2.226 30 10 IEEE CN1C[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1129472410 MTUJNRGOFFFBJZ-AWEZNQCLSA-N 437.294 2.337 30 10 IEEE C#CCN(CC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1)C(=O)OC(C)(C)C 1137068994 QSMCQIJYBZNUIU-HNNXBMFYSA-N 431.489 2.177 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 1148787317 KGEBYKZTFCAJDU-SFHVURJKSA-N 445.516 2.169 30 10 IEEE C#CCN(CC(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1158583251 IWARGBQAXNMUHB-UHFFFAOYSA-N 433.509 2.484 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4cc(C#N)ccc4[N+](=O)[O-])C3)[C@@H]2C1 1163978898 FYTVYUSIMWNPDY-QGTPRVQTSA-N 443.460 2.485 30 10 IEEE COc1ccc(C[C@@](C)(CO)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1OC 1176596863 CEOFYRAKQXEKKT-DEOSSOPVSA-N 449.511 2.283 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1 1177754981 RARRBWDTLDDOCG-GOSISDBHSA-N 427.526 2.323 30 10 IEEE C#CCN(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1218042027 RLUMGFWQZXKMMD-INIZCTEOSA-N 439.965 2.467 30 10 IEEE C=CCC1(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCCC1 1248674443 DHWBOFDPCYTZKP-UHFFFAOYSA-N 426.505 2.283 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)c1 1251874100 KWINKVXHSIHSEH-HXUWFJFHSA-N 440.544 2.421 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286393760 RWHKTANBGBHHPW-VQTJNVASSA-N 430.574 2.115 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1ccnc1C 1286416183 WLGSAUYBKRNWPC-KDURUIRLSA-N 437.548 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(N(C)C)nc2)CC1 1286488996 ASODTMLRDVCAKS-UHFFFAOYSA-N 443.555 2.420 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1286762544 IUTZUWZFEUXDRC-IBGZPJMESA-N 442.564 2.063 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286834192 CKZLWAKCIXYHIP-LJQANCHMSA-N 442.593 2.161 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1288519783 PXMRUPQDPIZXGT-SJORKVTESA-N 443.552 2.165 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)n1 1290645563 BFWYXUZXKLQRPQ-YLJYHZDGSA-N 440.596 2.379 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1300267061 CVBIZMQNDSKUME-GOSISDBHSA-N 445.527 2.268 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300491454 HRAWQKZSWHRAHW-INIZCTEOSA-N 427.530 2.090 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300504913 VZRJNDALDCDFMM-HOTGVXAUSA-N 428.624 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)OC 1300559390 PJXQYUIZXILBSV-UHFFFAOYSA-N 442.589 2.435 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1300637857 LSUQOIHGQHCQSK-UHFFFAOYSA-N 427.530 2.156 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2nccc(C(F)(F)F)n2)CC1 1300695472 CBNHHZOOXYRRFL-UHFFFAOYSA-N 444.465 2.090 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)N(C)C)CC1 1300709830 IAEZNQRATFRKIY-UHFFFAOYSA-N 426.590 2.112 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300742246 BTYLLUOBIMQQBD-UHFFFAOYSA-N 437.591 2.073 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1300778130 NDVJUAZJICDDKN-YOEHRIQHSA-N 434.484 2.064 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)C[C@H](C)O1 1300984608 FYGFHVQPAIPJJO-UWVAXJGDSA-N 429.521 2.251 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301033591 HBCDKURCGSTHPV-UHFFFAOYSA-N 429.872 2.061 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1301609238 FRPKKZUBIIXAKI-OALUTQOASA-N 443.573 2.433 30 10 IEEE C#CC[C@@]1(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1302744112 AOQFKIYSPSVLMP-OALUTQOASA-N 431.455 2.449 30 10 IEEE O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC#C[C@H]1CCCCO1 1305003190 VMEHBJSVLNFQCU-MRXNPFEDSA-N 432.464 2.453 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCOC(C)(C)C 1305121297 HXSSCMKZRPDJFR-INIZCTEOSA-N 435.536 2.465 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2ccc(N3N=C(Cc4ccccc4)CC3=O)cc2)CC1 1306706950 URRSQKUJDVSKLX-UHFFFAOYSA-N 429.480 2.220 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1310862882 ZEWUVHNLMAQSBF-QGZVFWFLSA-N 445.335 2.435 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1313033113 BPDRXKSNDBJSKO-MOPGFXCFSA-N 444.532 2.402 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)CC#N)CC1 1313931318 XNAMDZCTBMVMPH-SJORKVTESA-N 430.626 2.398 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1315422814 DYLJZADJMHDKOU-SFTDATJTSA-N 440.548 2.039 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1358912175 KKIDJFRKWZITJF-OAHLLOKOSA-N 446.495 2.332 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1358964854 INTCUXHSBZULHE-KRWDZBQOSA-N 427.555 2.000 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359052921 VFIYSNVLFNPYJB-CYBMUJFWSA-N 427.983 2.229 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1 1359100145 XZBVZIJXWRQDTR-JYJNAYRXSA-N 430.521 2.397 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359227229 WVJFXSSYSWGTHQ-SJORKVTESA-N 448.568 2.315 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1359270876 DVHCODKLGCKLAD-ZDUSSCGKSA-N 436.442 2.329 30 10 IEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359287008 GFWUQQCFYNEYLR-IAGOWNOFSA-N 445.568 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC(F)(F)C1 1359335936 ZAHKDARVDBNSDM-UHFFFAOYSA-N 442.488 2.312 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1cn(C2COC2)nn1 1359930110 XFGDSWZPIHFHML-QGZVFWFLSA-N 428.541 2.149 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1360393690 VAIXVBAWAPQGBH-LJQANCHMSA-N 438.532 2.355 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1CC2(C1)OCCO2 1439145003 HXNHDXMINUGYDR-UHFFFAOYSA-N 425.279 2.368 30 10 IEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCc2c(sc(N)c2C#N)C1 1456738439 BKFGNLUDMLEVQL-QGZVFWFLSA-N 449.577 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1 1463890128 YAQHKUKGQPQPSS-UHFFFAOYSA-N 435.546 2.325 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)C1 1469430638 MICFNTNUUYSXSK-HNNXBMFYSA-N 425.277 2.309 30 10 IEEE CON=Cc1ccc(C(=O)N2CCC[C@@H](n3nncc3I)C2)cc1 1471494219 IVWSXWZBMLROOT-CQSZACIVSA-N 439.257 2.340 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@]2(C(=O)OC)CCC[C@@H]12 1471734540 VLLBJAVTPZRONY-CECAUBDESA-N 447.557 2.228 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1472149164 QWDIXPKRNARVOV-ICSRJNTNSA-N 444.532 2.124 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1502118887 FBHZYVFFCBIGIX-BSBNDGSWSA-N 440.504 2.378 30 10 IEEE COCC(=O)NC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1504541626 MGQUARIGTMEHEQ-UHFFFAOYSA-N 426.521 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507517930 RSKDYOYTWSLUNE-JKSUJKDBSA-N 429.496 2.297 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1507588071 FMLKGCCZRHTQHL-IBGZPJMESA-N 449.552 2.108 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507592492 AQNRDCXWTQDSCX-KRWDZBQOSA-N 430.553 2.307 30 10 IEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1507777764 AYOZNYPXNHFCSA-CYBMUJFWSA-N 440.367 2.360 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507897444 JEQCXOHBCPIDGO-RXVVDRJESA-N 438.594 2.300 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCN(C)C1 1507998841 GPVMAUUFPRZOHQ-DEOSSOPVSA-N 429.528 2.471 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1508003797 DSCJLDIOGVQVLM-SIKLNZKXSA-N 446.573 2.178 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1508137004 WPOUOXSYYDNTQR-SFHVURJKSA-N 443.573 2.055 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1508189423 VPDAUUUMXLVTHM-LJQANCHMSA-N 442.589 2.237 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508389819 OCPYYQKVCCJTER-HSZRJFAPSA-N 438.532 2.117 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)c2ccccc2)n1 1511663451 DRINECNXUVAVMA-KRWDZBQOSA-N 441.561 2.352 30 10 IEEE C=CCN(C(=O)c1cn(CC(=O)OC(C)(C)C)nn1)[C@@H](Cc1ccccc1)C(=O)OCC 1516157764 ZPIOTVXZEPWSLK-IBGZPJMESA-N 442.516 2.422 30 10 IEEE CS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1526011516 BBTIYAAXHKYDTC-OAHLLOKOSA-N 431.901 2.284 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1539109876 YAUPMHFOUSYFCB-UHFFFAOYSA-N 435.532 2.436 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539216001 MPFUAQSSQQNBHN-WMLDXEAASA-N 442.545 2.308 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1539260827 VKNAYXPXJMBJCZ-HKUYNNGSSA-N 435.528 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(N(C)C)CCC2)CC1 1539477812 ZMZSGEWIEOCGBN-UHFFFAOYSA-N 435.576 2.099 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539547125 RNJGCAVRYWZTFB-OXQOHEQNSA-N 448.980 2.410 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1539645349 MUUXRNMUNLAHAW-MHTWAQMVSA-N 447.580 2.042 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540004674 DNYCYEUMBCMLMR-HRAATJIYSA-N 434.537 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1540891527 VZUHZENJLUIQPC-PWRODBHTSA-N 433.597 2.310 30 10 IEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C 1541413444 ICSICWKSQULZDR-WOJBJXKFSA-N 444.605 2.416 30 10 IEEE COc1cc2nc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c(=O)n(C)c2cc1OC 1544587472 IIASJTQGFALNNT-UHFFFAOYSA-N 449.511 2.026 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCO[C@@H]2CCOC2)CCOC1 1547899808 DWTRDOVFOLUDQO-STZQEDGTSA-N 433.553 2.256 30 10 IEEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1554254299 YNFUUPOQXQGSJK-OAHLLOKOSA-N 438.504 2.190 30 10 IEEE COCCn1c(Cc2c(F)cccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555566088 POUMLOOQEJPWLA-UHFFFAOYSA-N 426.427 2.328 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2CCSCCCO)c1 1555987583 NWRNJIYUUKXBTM-IBGZPJMESA-N 438.561 2.365 30 10 IEEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OC 1558384036 SUIIDGZUPTVWQE-YWZLYKJASA-N 439.871 2.260 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C 1558643458 WQNAVWJIQAAMHA-PGRDOPGGSA-N 437.525 2.091 30 10 IEEE COC(=O)COc1c(C)cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1C 1559032909 NQOOSRBQNJXHDJ-UHFFFAOYSA-N 440.452 2.373 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)cc2C(C)C)CC1 1562573242 LNLPEEPFKGCPJM-UHFFFAOYSA-N 443.367 2.190 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 1583092425 LVOBONPJNKUYDT-GOSISDBHSA-N 435.546 2.250 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1cc(O)nc(S)n1 1583372607 GVTXBGWBXGBZEM-KRWDZBQOSA-N 441.513 2.493 30 10 IEEE CNC(=O)c1cncc(/C=C/C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1583848788 SOACICUBQBKCBG-QPJJXVBHSA-N 441.495 2.065 30 10 IEEE CN(C)S(=O)(=O)C[C@@H](OC(=O)c1cccc(C#N)c1Br)C(F)(F)F 1584115597 KPQOSKMKSAIXKP-SNVBAGLBSA-N 429.214 2.300 30 10 IEEE COc1ccc([S@](C)(=O)=NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1584722298 GIMODWZIXGRXMW-DRKIFQHWSA-N 440.481 2.455 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)cc1 1585064777 XBGVKOUMOOGELX-JOCHJYFZSA-N 425.510 2.033 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(N(C)S(C)(=O)=O)cc3)n[nH]2)c1C 1585232979 QZZREIVDXAHIJH-UHFFFAOYSA-N 442.545 2.402 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1585738264 JQYDUVYXWHKPIW-LJQANCHMSA-N 444.532 2.362 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588059893 XECRTGMIVLRGRQ-NJDAHSKKSA-N 449.665 2.471 30 10 IEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588068866 BAHMFHJCUZWUGC-IXDOHACOSA-N 432.521 2.279 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1593878307 HDOOENQRMMEQCW-QZTJIDSGSA-N 436.988 2.405 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1594483803 DHBKPBITOZJSIM-DEOSSOPVSA-N 449.559 2.496 30 10 IEEE C=CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1594773801 GWWBZNPEMBDQBP-FQEVSTJZSA-N 426.583 2.298 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1595544162 FSKKVRIOEVGHEP-LJQANCHMSA-N 446.502 2.427 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1595569655 MJBORPZCGDUORK-FPOVZHCZSA-N 449.559 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1595788713 HQZJJSGANBPBML-RTBURBONSA-N 443.573 2.480 30 10 IEEE Cc1ccc(C(=O)NCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)cc1 1611977781 FDVPHQYFKMXBHD-MRXNPFEDSA-N 449.515 2.483 30 10 IEEE Cc1nc(CN2CCCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CC2)no1 1612424929 BEPOAMHVGCJWHO-KRWDZBQOSA-N 449.563 2.171 30 10 IEEE CCN1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)CC1 1615888017 FVKNPGZYNOZIEY-UHFFFAOYSA-N 436.608 2.422 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1617184534 GITOWRGFLOHYOD-LJQANCHMSA-N 438.532 2.295 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)COCCO2)cc(OC)c1OC 1619071543 CZAONYXYTYBLFR-NYHFZMIOSA-N 445.520 2.372 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CC(F)(F)F)CC2)CCO1 1620356250 VDVLGBYLSFISCA-IAGOWNOFSA-N 442.486 2.175 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C1 1624819026 DZHATHZMFOZZFR-YPMHNXCESA-N 427.427 2.266 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1627790912 UKPJMGVTLDOSMG-LJQANCHMSA-N 426.542 2.468 30 10 IEEE N#C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 1629249251 PFHWLKDSVNTWMF-KRWDZBQOSA-N 433.461 2.036 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1630950795 MMLMMTLWPZKJNS-FUHWJXTLSA-N 449.523 2.162 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 1634714007 OENFMULZJDWWFE-QWHCGFSZSA-N 429.443 2.326 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)C1 1638203223 KSSXFPPOSAMBSP-YOEHRIQHSA-N 427.505 2.322 30 10 IEEE C#CCN(CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(=O)OC(C)(C)C 1638891133 QZRARCNZWIIWKE-GOSISDBHSA-N 435.471 2.442 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@@H](c2cc(Br)ccc2OC)C1=O 1656312365 FLSFSQDHQXWJQR-ZBEGNZNMSA-N 437.294 2.059 30 10 IEEE CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1671555783 GZHUIIYMQUCPSQ-INIZCTEOSA-N 427.530 2.078 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)CC1 1677879350 GNEZYJMHCUIUCT-SFHVURJKSA-N 442.541 2.335 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1681433080 BWXQPSGSNHBWQE-AEFFLSMTSA-N 442.495 2.288 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@]2(C)COCCO2)c1 1689870151 DADUUFUZYJHQKL-XMMPIXPASA-N 446.511 2.202 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C1CC1 1690060882 LNENJESQWIFQBU-OAQYLSRUSA-N 430.578 2.167 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nnc(CC)s1 1690098601 OLIUZBGVMXJYBV-UHFFFAOYSA-N 440.529 2.265 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690239487 XIISRCSYWFTFRR-REWPJTCUSA-N 444.624 2.481 30 10 IEEE C=C(Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C(C)(C)C)c1ccccc1 1690326154 UFLISTYISNRGEQ-UHFFFAOYSA-N 440.592 2.174 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1690678265 PXRMXDOWOGSPLA-QWFCFKBJSA-N 449.596 2.129 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C1CC1 1690723103 HVYKPEDPDVAHOX-INIZCTEOSA-N 435.575 2.061 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690745201 ZZXGTFUJWQLLSZ-GOSISDBHSA-N 442.589 2.449 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)(F)F 1691005765 DYKIPBDBIFDIQZ-NSHDSACASA-N 430.381 2.421 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1693783329 HEEZUEVFOHOMMB-OVDVQJHRSA-N 431.500 2.435 30 10 IEEE CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1694404127 MLYMUZBKAPADNF-SFHVURJKSA-N 436.520 2.100 30 10 IEEE COc1ccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1697462184 OPGGQLUUFJMBFT-SFTDATJTSA-N 430.484 2.213 30 10 IEEE COCCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697923076 KTEWEQCGBYKUCG-SXLOBPIMSA-N 446.596 2.241 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705517061 NUAFCRUWLDJTFV-LPHOPBHVSA-N 432.546 2.463 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1ccc(C)c(F)c1 1705540995 VWLHXHKXLJDWPR-UHFFFAOYSA-N 428.512 2.143 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705563646 BNTUAVYYRBFGOJ-ZWKOTPCHSA-N 444.557 2.007 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCOCC1 1705629800 VVGHWEZMEQMATQ-UHFFFAOYSA-N 447.530 2.344 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCCCC2)C1 1705651980 MPJWZHCZTGZARV-INIZCTEOSA-N 425.624 2.415 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705736288 PWIIYTCWNJZSNN-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705740780 WNUFVCKFTPSAEM-UGKGYDQZSA-N 445.568 2.344 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705829320 NLMSXYPJGIHIEL-HXUWFJFHSA-N 426.565 2.400 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC(N)=O)C1 1705943770 KFEGELNRQMHXHS-CQSZACIVSA-N 432.550 2.017 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1708244843 FGENZLBSLCACFR-QZTJIDSGSA-N 426.569 2.308 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2)CC1 1710298237 DHWDYQCHSHFVJP-UHFFFAOYSA-N 447.591 2.214 30 10 IEEE CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1710875316 AQHVXCTUAUWEMI-UHFFFAOYSA-N 448.980 2.442 30 10 IEEE CSCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1712812688 AEUYCAWLUQAWLD-GOSISDBHSA-N 442.593 2.324 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2 1722284172 KXUFVMLANNLLLB-GFCCVEGCSA-N 435.431 2.253 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1722309121 VTTPSQLQNXTDHC-CMKODMSKSA-N 448.637 2.145 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCOCC1 1722375293 ARNBBQOAUFDDHT-LJQANCHMSA-N 429.528 2.129 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1C 1722384367 VNPMBWZIKZJUKD-IBGZPJMESA-N 426.542 2.031 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCN1CCOCC1(C)C 1722427360 UGVPMPWUVCXRFQ-UHFFFAOYSA-N 425.577 2.374 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCOC(C)(C)C2)CC1 1722432844 GYDGBKBLWWUMLM-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCSCC(F)(F)F)CC1 1722453604 ZDICUEZRQAOEMJ-OAHLLOKOSA-N 445.511 2.391 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1722460043 BNRCANRHXKNICS-UHFFFAOYSA-N 431.512 2.325 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1722467619 UMDBULLREIRFOX-CKJXQJPGSA-N 449.552 2.487 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1722648159 QIZREKLVZRMXOG-LJQANCHMSA-N 438.576 2.292 30 10 IEEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C)C1CC1 1722648926 ZONHEUOFAKXSHN-UHFFFAOYSA-N 447.561 2.199 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1722719784 ZTYKNEJXPCEYQM-SJORKVTESA-N 426.583 2.167 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722729750 WJWMTDQLLFKBSH-IPMKNSEASA-N 448.564 2.328 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)OC(C)(C)C 1723599858 BVYNUBIPUSERRI-NRFANRHFSA-N 433.557 2.461 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3Cc3nccs3)CC2)c1C#N 1725860488 CFFKLCVFLPGTSX-UHFFFAOYSA-N 425.566 2.321 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)C[C@H](C)O1 1727793983 OCCUQAGBAGDYRV-LPHOPBHVSA-N 446.577 2.150 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1728297800 UJQJWENPHZDEMH-RBUKOAKNSA-N 427.530 2.175 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1 1730762110 AFQXHQVNTKHVLR-NSHDSACASA-N 443.455 2.119 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCCCCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1731180197 CBSYKASRFWBFSL-NRFANRHFSA-N 429.546 2.137 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cncn1 1740554000 VRMRTFHCZDXLQT-MRXNPFEDSA-N 428.541 2.142 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740570017 NIPGOPMOPGLCBQ-KRWDZBQOSA-N 431.562 2.227 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740586424 APHCKCNYMXDPKU-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)cc1 1740600006 HKZOEWOXDZYDCI-MRXNPFEDSA-N 431.562 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1740636422 ZEZZAQQACPUHNV-NFBKMPQASA-N 430.516 2.341 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H](C)CN1CCN(CC)CC1 1740641396 JTGSCXTYAWUUFG-NRFANRHFSA-N 436.579 2.354 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CSC 1740760867 LFVXPBWKQTZNGT-BDXSIMOUSA-N 440.635 2.493 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740793413 ILVIRUNXZJQWRG-FCHUYYIVSA-N 440.592 2.404 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1740876093 OBLSYODTKKREOL-GOSISDBHSA-N 437.541 2.353 30 10 IEEE Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1742840770 KCXTZZTUJLSVEU-ZDUSSCGKSA-N 446.415 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCc1cnc2c(Cl)cnn2c1 1748641014 CJYNEHZXJPLHIX-HUUCEWRRSA-N 431.928 2.399 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1748817030 CNTFCBMMSNPDAF-GOSISDBHSA-N 443.573 2.232 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCn1cc(Br)cn1 1748845795 AGAKPGVTMQSVDJ-MRXNPFEDSA-N 431.338 2.294 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1c(C)nc2ccccc21 1748959912 AAMCURJVBKCLEQ-IBGZPJMESA-N 435.532 2.064 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1748987642 ZMRYZSZDWOFGDO-UHFFFAOYSA-N 444.465 2.090 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1749066258 IZSHZQWKRNQLFQ-LAUBAEHRSA-N 437.610 2.285 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CCCO 1749072251 JUMUGRFEPBKYRR-DENIHFKCSA-N 428.606 2.473 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1749144027 RGYGDDATBGEBIX-KRWDZBQOSA-N 440.614 2.083 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 1749232160 FAQKVTWMFNDABA-UHFFFAOYSA-N 440.592 2.405 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749703119 CKNPHKXATCBRCX-KRWDZBQOSA-N 431.562 2.479 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCSCC1 1749738609 RUOJZJFVKKMWSO-UHFFFAOYSA-N 431.587 2.435 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1751090336 BCMYZGPZESWRGL-ZHALLVOQSA-N 443.577 2.283 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)C[C@H](C)O1 1752388320 OTDBWFZLYFQBEZ-IRXDYDNUSA-N 431.562 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NCC 1760113490 VQVQCOGZTLIHMZ-QGZVFWFLSA-N 438.580 2.072 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1760116083 FGYWNPQRJQWFLH-NNMXDRDESA-N 438.576 2.275 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCN(CC)CC1 1760122117 XJZHLZQISGOMIS-PMACEKPBSA-N 434.592 2.001 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760165077 IMWKBMXHDBCXIM-YYDVJCTNSA-N 433.597 2.276 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1N(C)CCCC1(C)C 1760170688 MNWYMGNULFROFP-LJQANCHMSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186538 ONFLBCARNHVKRY-LJQANCHMSA-N 434.537 2.060 30 10 IEEE C#CCN(c1nnc(CC)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1760188037 ZJJYODMBPWZWHE-FQEVSTJZSA-N 435.638 2.225 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1C[C@H](C)O[C@@H](C)C1 1760248870 RXTRGKABTGPJHT-HOTGVXAUSA-N 429.521 2.295 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1760262377 NKCNXAUKUAMADR-UHFFFAOYSA-N 429.572 2.442 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760321231 CZEQNZAMIORVQQ-BVSLBCMMSA-N 438.576 2.170 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760445930 ZZQAVINLFPPQQU-SFHVURJKSA-N 443.552 2.257 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1)C1CC1 1760476767 GCTJLPAVBFQQRU-FQEVSTJZSA-N 445.589 2.317 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1765377780 LYPCSSOFBPHVGT-CYFREDJKSA-N 449.559 2.180 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)CC1 1770042490 PONXZMBGUMLJBP-QGZVFWFLSA-N 425.537 2.395 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1770457209 XAQCKGGMZATCTL-YWBAYFEHSA-N 436.516 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1772660368 IGEZVBHWINOLGH-QFBILLFUSA-N 434.562 2.416 30 10 IEEE CN(C)C=NC(=S)N(C(=O)C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)cc1 1852091099 DGTPCXMNXKXCDU-UHFFFAOYSA-N 440.566 2.238 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)Nc3nc(N4CCN(c5ccccc5)CC4)n[nH]3)cnc21 1852337964 KILOZEPQMYKXBN-UHFFFAOYSA-N 427.472 2.142 30 10 IEEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)CC[C@H]1CCCO1 1853047692 VWFSOMYSAABEFM-LJQANCHMSA-N 431.500 2.444 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)c4cccs4)C3)CC2)CC1 1857123516 MJYYSEWIWQTMKG-QGZVFWFLSA-N 428.558 2.211 30 10 IEEE C=CCNC(=O)C(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1861511228 XHIOKJIMCMSRPW-UHFFFAOYSA-N 435.480 2.302 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1861599897 NEZRSTVNRVKSOS-FKBYEOEOSA-N 443.588 2.474 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cccc(O)c2)cc1F 1862638817 KUJPZVFPRMSSNN-LJQANCHMSA-N 428.416 2.254 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862740138 PAJUQXHLACVDBQ-GTNSWQLSSA-N 427.369 2.462 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(OC)c(OC)c1 1864779767 ZRYOZMVKNWRVQO-ZDUSSCGKSA-N 438.406 2.453 30 10 IEEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870144570 GOJZYGQLPKKOFF-UHFFFAOYSA-N 444.451 2.471 30 10 IEEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 1870447279 JBCLBSPKUNKJHZ-JXMROGBWSA-N 437.540 2.417 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCC)cn1CCN1CCOCC1 1870764716 VBMIZTRATBPMBZ-UHFFFAOYSA-N 447.576 2.077 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccccc1[N+](=O)[O-] 1874289613 NFDYAHMYBBYQRV-UFFVCSGVSA-N 442.457 2.234 30 10 IEEE CCOc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 1874339180 MGWKUGUOHMEDHO-UGVMZYNRSA-N 433.534 2.073 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)c(C)c1 1891782792 MYADOUPFOMLHBM-UHFFFAOYSA-N 429.502 2.095 30 10 IEEE COc1cccc2sc(N3CC(C(=O)N4CCN(c5ncccc5C#N)CC4)C3)nc12 1892205135 QESZAYLVLUAPPX-UHFFFAOYSA-N 434.525 2.357 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2033803247 MPDZQTFNGHLFJG-HKUYNNGSSA-N 432.370 2.303 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 2054340122 XLXBZHBRNDNCCC-CZUORRHYSA-N 439.372 2.373 30 10 IEEE C#CCN1CC[C@@H](NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2083716782 GOTRYZCLGWQGNC-OAQYLSRUSA-N 440.588 2.370 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)B1OC(C)(C)C(C)(C)O1 2243435326 PAOYKOHNUSUVKF-GJZGRUSLSA-N 430.376 2.491 30 10 IEEE C[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247835988 UOKUJSSUEBCUTR-GFCCVEGCSA-N 437.371 2.428 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247904236 NKMVMODWLOMNKB-QUWSVYMGSA-N 448.366 2.489 30 10 IEEE CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406024 UYTNKVGGGLPHJV-NEPJUHHUSA-N 440.375 2.137 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255633308 ZAHLUUUSXUAXKQ-UONOGXRCSA-N 434.346 2.084 30 10 IEEE Cc1cnc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255659704 WBNWEMPVDVQTCD-HOCLYGCPSA-N 431.342 2.332 30 10 IEEE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255739732 OUCWSMFJSRRXSN-MRXNPFEDSA-N 448.398 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255871147 RGWCNNNQCNJHAZ-MRXNPFEDSA-N 429.326 2.286 30 10 IEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258955738 SWURHOCQBMFFOC-DLBZAZTESA-N 436.358 2.400 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267014584 AUJGXZPXJHRPDT-LJQANCHMSA-N 438.381 2.360 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2267501231 UZDWCFXMHPOBOJ-ZWKOTPCHSA-N 438.381 2.454 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@@H]1NC(=O)OC(C)(C)C 2267547743 BALHZLYJVOXCHW-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCCO1 2268609213 YCGBWOJMQOTPDI-QFIPXVFZSA-N 447.341 2.393 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268645857 WCRWLSHJZMWRLD-GOSISDBHSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@H](O)[C@H](N)C#Cc2ccc(Br)cc2)C1 2278802879 YZCUDQAROYJBKA-IXDOHACOSA-N 425.323 2.125 30 10 IEEE CC#CCN(CC(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2300550507 OQODEKWOLZFBAH-UHFFFAOYSA-N 439.553 2.125 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)COCCN(C(=O)OC(C)(C)C)C1 2306353435 ZXXHVLIJOITVDX-NRFANRHFSA-N 443.541 2.138 30 10 IEEE COc1ccc(OC)c(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)c1 2329901738 LZESDUWXNOSQBS-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE CCSc1nnc(COC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331571060 GHGAMRNLWNORBE-UHFFFAOYSA-N 435.550 2.138 30 10 IEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccccc3F)n2N)cc(OC)c1 20528156 SIYGMNFZNMZFRD-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE COc1ccc(Cl)cc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23557860 SBECLSLGKZESBX-UHFFFAOYSA-N 433.917 2.296 30 10 IEEE Oc1ccc(Br)cc1/C=N/Nc1nc(SCCN2CCOCC2)n[nH]1 59815948 DMIACGJWXVOVDH-LICLKQGHSA-N 427.328 2.143 30 10 IEEE COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 170427738 VNIONWVCQSCUHU-GOSISDBHSA-N 430.482 2.468 30 10 IEEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)Nc1ccccn1 253571066 OLWMNJZTJMIYGN-QGMBQPNBSA-N 443.405 2.193 30 10 IEEE COc1ccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254412226 RFONJIXBOMSLBV-QZTJIDSGSA-N 432.523 2.376 30 10 IEEE CC(=O)Nc1ccc(OC[C@H](O)CN(C(C)C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 443311277 XGAIVHZDVLOAHQ-GOSISDBHSA-N 449.504 2.495 30 10 IEEE COCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)CC1=O 460751071 YRQVRNYTOIKXQE-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 460958865 LSFDACXVHCEMOL-MRXNPFEDSA-N 435.550 2.056 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461294222 MQSNQWQADJMCRV-HXUWFJFHSA-N 431.431 2.445 30 10 IEEE COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 465390132 SMSQPWRXAQTXHI-VQTJNVASSA-N 432.542 2.443 30 10 IEEE COc1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC(F)F 472112954 NVXJURXWXBEQPR-UHFFFAOYSA-N 434.447 2.242 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 482429769 APAREVARWXPBBS-QEEYODRMSA-N 431.489 2.353 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)c1 488124910 RIFVGPHDOBEDEJ-GOSISDBHSA-N 449.529 2.444 30 10 IEEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508490225 PZIHRBFXOAZNCD-UHFFFAOYSA-N 437.573 2.485 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 509189366 CRIDEMHTVISLGP-PWSUYJOCSA-N 425.864 2.401 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccc(F)cc1 514645334 JYMKGYDFQRSOOF-UHFFFAOYSA-N 439.899 2.473 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1cccc(C)c1C 518720421 OYLATWUVVXQVDN-UHFFFAOYSA-N 447.560 2.390 30 10 IEEE COc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1Cl 546914494 NPQRMTFEGZMYQQ-QGZVFWFLSA-N 425.876 2.069 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)nc1 555340922 BJZNHSFCSIBWFV-UHFFFAOYSA-N 426.501 2.346 30 10 IEEE COCC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 582869778 JLZBRXDNNAQMJL-QFIPXVFZSA-N 427.526 2.482 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@@H]3Cc3cccc(F)c3)CC2)nc1 587647190 GJYGLKQRLRUKKZ-OAQYLSRUSA-N 435.503 2.411 30 10 IEEE Cc1ccc(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)cc1S(=O)(=O)NCC#N 610304371 WZFBCYQPATWBGQ-IBGZPJMESA-N 437.525 2.244 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670216502 LCQLETUVWORFMK-UGKGYDQZSA-N 437.592 2.219 30 10 IEEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@H]1CCCO1)c1cccs1 730144382 KJHNCPHLUJCDHU-NHHCDBPFSA-N 438.619 2.356 30 10 IEEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 732109673 KKZGVQKSZGHZMT-GOSISDBHSA-N 448.589 2.145 30 10 IEEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1O 732649212 QWXOFSAIEPVSQE-GOSISDBHSA-N 444.491 2.309 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1 742484673 LQJKFPIKQFEERE-NRFANRHFSA-N 425.554 2.383 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)c2cccc(C#N)c2)c1 748236219 FQFHDFIBLZNXBM-UHFFFAOYSA-N 441.509 2.448 30 10 IEEE C#CCN(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 750992739 AGPVZWQRCBZHDI-MRXNPFEDSA-N 436.331 2.206 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 758036600 ZRIQBLOEGJVQSZ-MRXNPFEDSA-N 435.475 2.494 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCN(c2ccccc2)C1=O 758751107 IHAHCRRCHMIFDP-JQHSSLGASA-N 427.505 2.192 30 10 IEEE C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 767678708 AWSHJSCNDLKBDC-AWEZNQCLSA-N 444.937 2.445 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 778378334 ALYKMQPJGRAYTL-NSHDSACASA-N 429.376 2.167 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 779035816 IZOHKJVCLPYXGS-UHFFFAOYSA-N 436.582 2.387 30 10 IEEE CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n1 782700066 WEJGOCRRSMWRGI-UHFFFAOYSA-N 433.881 2.282 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C#N)cn2)C1=O 788835945 YMXOOORSCKTIPY-WOJBJXKFSA-N 449.511 2.436 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC1CCN(C(=O)OCc2ccccc2)CC1 798624299 BIFCCDQCFMHKNC-QURGRASLSA-N 441.484 2.495 30 10 IEEE COCC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 810166653 MCSFBRSHYJOWPK-VSGPLIKPSA-N 440.566 2.453 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2C1=O 919970775 CMIJCIABXXTPEY-UHFFFAOYSA-N 437.471 2.499 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 1141986561 JEQCQTNMORKZQH-QGZVFWFLSA-N 444.475 2.419 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)n1 1143259345 ISTDAMJLWSCMIC-UWVGGRQHSA-N 446.480 2.053 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCC[C@@H](C)O3)nnc12 1161657018 PKVSCIVSWHBTNE-CABCVRRESA-N 427.530 2.396 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C1 1165411446 AQTZYONCBLVHLO-KRWDZBQOSA-N 426.517 2.151 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)nc1 1178461001 WMIHSUFRPSZDNG-QKQONQEDSA-N 439.541 2.337 30 10 IEEE N#CCc1ccccc1S(=O)(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 1186105572 GVLHHUZBBCYMEW-FQEVSTJZSA-N 439.585 2.371 30 10 IEEE N#Cc1csc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)n1 1255898889 XTWLUDHEMAWKJY-MRXNPFEDSA-N 431.543 2.081 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1N1CCOCC1 1286303889 TVQGXMHDDQKTIV-IBGZPJMESA-N 433.560 2.483 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1286310730 GKYCDVRMDCKUNS-OALUTQOASA-N 438.576 2.396 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCO[C@H]1C 1286462936 BPSTWEZYQCDKJO-BTYIYWSLSA-N 434.924 2.233 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)Oc2ccccc2OC)CC1 1286491452 SDETWROWSRUQNH-KRWDZBQOSA-N 425.533 2.282 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1286763246 VQCQOBMNNBPVGG-IBGZPJMESA-N 442.564 2.063 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1O 1286790506 TUTLHDHLOHJLGE-UHFFFAOYSA-N 431.500 2.161 30 10 IEEE CC(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1287651293 BBJHWZNDSLWGRP-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1287911303 HRAWPZIVRNGYRS-UHFFFAOYSA-N 431.548 2.274 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N 1288704338 ABJQHYNLRMDZAZ-ZWKOTPCHSA-N 440.548 2.423 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cccs2)n1 1290627694 GWECTSRXELOTBX-HXUWFJFHSA-N 442.524 2.073 30 10 IEEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1297550440 MCLQKGSVJQMDGX-INIZCTEOSA-N 444.561 2.090 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1300338884 ITYQYTBKVOZMJH-GOSISDBHSA-N 436.626 2.147 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1300391446 NWZXUVAGTQOSHG-UHFFFAOYSA-N 439.516 2.195 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300422206 ZVPLJJXUEKLOKJ-INIZCTEOSA-N 437.470 2.058 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1300579733 YWXPQFGOABGRAX-WOJBJXKFSA-N 439.585 2.380 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC[C@@H]1OC 1300664916 VXYJBEMUXAGOCA-APWZRJJASA-N 436.516 2.495 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1300780434 PSYADJRHQWHCCE-VGOFRKELSA-N 445.589 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1300787255 KYCVEEFZNKHDKY-GGAORHGYSA-N 429.565 2.229 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1300989958 AKOLDZCXSLIQSH-VPTFNQTCSA-N 431.562 2.196 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1301109455 JGDHQMDIDBGOOQ-YKSBVNFPSA-N 446.640 2.359 30 10 IEEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O)C1CC1 1301323354 SQWXAMZGKVUHBQ-UHFFFAOYSA-N 428.518 2.183 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301489919 GTPMSWBUHYVWPT-QFIPXVFZSA-N 425.464 2.386 30 10 IEEE C=CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301621074 QCCSUOWDZRMQLZ-SFTDATJTSA-N 435.594 2.097 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1301997362 YSJYGJRTGXXWBB-DLBZAZTESA-N 445.520 2.289 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCCCCCC1 1303096363 RNTKXYTZFGMFNL-DPPKGPFUSA-N 428.537 2.469 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1305326584 GXRHBYLTSCWMSG-GWJPWWOOSA-N 439.564 2.172 30 10 IEEE CN(C)C(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1314641820 CKALCIBOOJVJCN-QGZVFWFLSA-N 445.568 2.221 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccn(C3CCOCC3)n2)cc1 1350774778 UQTIEMGEUYPMAZ-NMWGTECJSA-N 431.518 2.300 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2=O)cn1 1357755479 FNNISSPYCWXLIE-MRXNPFEDSA-N 434.418 2.069 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358961905 GWFXZGCAPVXNHO-SJORKVTESA-N 449.602 2.236 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1358989291 WSOZBCZYEQWIBM-ZNTNEXAZSA-N 442.523 2.497 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1359000097 LMKMUBQXTIVLRR-AWEZNQCLSA-N 425.942 2.080 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)NC 1359065394 PPQOXDJKDXRRDA-OAQYLSRUSA-N 427.574 2.289 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1359259896 LPFSIEVKMBDXGM-OAHLLOKOSA-N 447.540 2.002 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)ncc1C#N 1437476381 CRKWDZPTXPDTBW-UKRRQHHQSA-N 440.422 2.255 30 10 IEEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1461964135 JWOQTQCHOVUVCK-HNNXBMFYSA-N 449.916 2.394 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1466922355 ZITXTCHAKOVZLO-GOSISDBHSA-N 430.553 2.498 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C)C(=O)OC 1467516655 UWDMIGHVYCKYDP-RTBURBONSA-N 445.516 2.464 30 10 IEEE N#Cc1cccc([C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C(F)(F)F)c1 1471420269 CATXGZGMMNEDFI-SFHVURJKSA-N 439.415 2.287 30 10 IEEE COc1ccc([C@H]2CCCCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1473824183 BCGQNDPBPPCADH-DWLFOUALSA-N 431.558 2.009 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)C1 1475667529 MSDCCAJYEDPKCQ-LBPRGKRZSA-N 446.323 2.050 30 10 IEEE Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1492875796 JJAIZLZVGPIPNI-UHFFFAOYSA-N 426.502 2.001 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@](C)(O)c1ccsc1 1499163914 CGXLZMMPLLXQLI-VFNWGFHPSA-N 438.561 2.186 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)C[C@H]1O 1503880965 KDYICWLWTMKOBI-RTBURBONSA-N 437.525 2.481 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1507629120 ZSFOEECJUZKWQF-PMACEKPBSA-N 430.574 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1507676811 PXOKPENJDBQSOB-RUZDIDTESA-N 447.539 2.340 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCN(C)C1 1507702345 UJZMWNXKIXRKGX-NZQKXSOJSA-N 427.524 2.365 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1507750506 XFSUSTDBBUWUTA-RDJZCZTQSA-N 443.577 2.451 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1507863345 CXSOWIHXEHHKKD-QGZVFWFLSA-N 444.923 2.441 30 10 IEEE C=C(Cl)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507875160 OMHJVTPOTMGVSA-KFWWJZLASA-N 438.960 2.468 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1508086684 ODJWQTXUIRCSPR-UHFFFAOYSA-N 449.559 2.098 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cccs1 1508088520 SQCYFTFTCQONLD-UHFFFAOYSA-N 449.540 2.192 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)OC)C1 1508105190 MEAFSKSXUQPAGX-SFHVURJKSA-N 439.516 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC=C(C)C1 1508141372 VKXDZIUMHIDOSR-UHFFFAOYSA-N 440.529 2.351 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1508389769 MIDPEQBTCBZSHN-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)C1)S(C)(=O)=O 1517222209 GPCHYVAGGYXRLV-SFHVURJKSA-N 428.562 2.335 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1ccsc1 1517329809 XMTSUXWXXUBCFY-UHFFFAOYSA-N 430.559 2.106 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1517551356 CLPYHZRREZZEPF-JOCHJYFZSA-N 440.573 2.037 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@H](O)C2)cc1 1518207328 FLMOROCUMKQNLD-IRFCIJBXSA-N 425.533 2.352 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1CCOC1 1519161997 BTSURIGXSWDYOT-INIZCTEOSA-N 437.504 2.387 30 10 IEEE CO[C@@]1(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CCS(=O)(=O)C1 1538274101 KDHUIPLNEOWDCZ-OAQYLSRUSA-N 430.530 2.014 30 10 IEEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1539233271 FVCYANKXFKSFGM-OAQYLSRUSA-N 433.468 2.286 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539414109 SBHHFTHBGRDTIJ-KRWDZBQOSA-N 429.487 2.285 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCN(C)CC2)CC1 1539440968 GIHBYRRTXFKTHV-UHFFFAOYSA-N 449.628 2.399 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1539444423 NVDCQEXEMQDEFK-HSZRJFAPSA-N 447.587 2.350 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN(C)CC(F)(F)F)CC1 1539470105 YCKZBMLXQBMEGD-OAHLLOKOSA-N 428.503 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOC2CCCCCC2)CC1 1539480696 DIVYHKTUBALXJV-HXUWFJFHSA-N 443.592 2.487 30 10 IEEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC(C)C)CC1 1539839731 CZKOCFWASSLUDX-UHFFFAOYSA-N 433.534 2.158 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)cc1 1540647623 CQCYHYHVZWMUQL-UHFFFAOYSA-N 443.506 2.331 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1540898038 YKNJRVKSXXJHIZ-HNNXBMFYSA-N 438.554 2.087 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC=CCC1 1541108692 ZUBDFUCCVYKPMX-QGZVFWFLSA-N 428.562 2.206 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1541801058 NAGCBBFANXHXAO-SQNIBIBYSA-N 445.593 2.226 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1554246216 GDUUQVHSCVBNJB-UHFFFAOYSA-N 441.532 2.194 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1555637400 RKVCLDLZVGRSLN-IIBYNOLFSA-N 440.483 2.073 30 10 IEEE COC(=O)c1cc(Br)c2[nH]c(NC(=O)CNc3ccc(C#N)cn3)nc2c1 1558749182 FYBHZKPZAWOQBI-UHFFFAOYSA-N 429.234 2.429 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1 1570678216 VREMEGZGMDDIAT-HJNYFJLDSA-N 426.538 2.425 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1c(C)cc(Br)cc1C)c1cc[nH]n1 1583894434 ZYZKYJREQACVLH-UHFFFAOYSA-N 437.294 2.389 30 10 IEEE Cc1nc2ccccn2c1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1586074886 HWYXXSSKAWAOFA-UHFFFAOYSA-N 437.525 2.232 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1587702171 PHFTYDMMMQLRKQ-LJQANCHMSA-N 426.569 2.345 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588046099 XDAPNNZCKKDAMU-MRXNPFEDSA-N 442.570 2.056 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1588073999 GVPOMFDZVATPCV-QXDIGNSFSA-N 438.569 2.354 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588099555 QQMGKOUWMLOFTA-GOSISDBHSA-N 431.496 2.259 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(N(C)C)CCC2)CC1 1588763444 XSCKHKQLGPYCJT-UHFFFAOYSA-N 438.576 2.202 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1589059760 JODYKBJVLRZQEM-INIZCTEOSA-N 425.624 2.020 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1589068369 ASTUIPWFLSDMBM-QGZVFWFLSA-N 432.619 2.236 30 10 IEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1594807679 WLJJQPRMSBOUMX-UHFFFAOYSA-N 438.532 2.314 30 10 IEEE CC(C)(C)OC(=O)CCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1596736031 LTLKQVAFPLQIGQ-KRWDZBQOSA-N 428.489 2.391 30 10 IEEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1614577400 QZEWHJHUBHPDHN-UHFFFAOYSA-N 446.577 2.151 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1617090902 RYJSXKUHMHFNPD-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)N=[S@](C)(=O)N(C)C 1621740402 IYDAONCTHPHYAH-QFIPXVFZSA-N 428.349 2.395 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)n1 1626714073 QEGIFBIHJFVFEI-UHFFFAOYSA-N 441.536 2.342 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2N2CCCC2)cc1 1627261355 MVZXTFWRMOUHJZ-GOTSBHOMSA-N 437.565 2.480 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1628510722 KKKQRCTUUPXXFU-KRWDZBQOSA-N 431.470 2.208 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(F)cccc1NS(C)(=O)=O 1631004684 YAZRSIUSUYOXAY-MRXNPFEDSA-N 427.498 2.120 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2cccc(C(N)=O)c2)C1 1632040489 UAOGTNMREZKVAJ-UHFFFAOYSA-N 427.302 2.215 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](c2ccccc2)c2nn[nH]n2)C1 1634274921 HUTFJKYOUYFUIT-QGZVFWFLSA-N 438.289 2.176 30 10 IEEE Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1635415232 ADCAVONAXVBJOT-VQTJNVASSA-N 434.479 2.274 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCS(=O)(=O)[C@H](C)C1 1639207183 UJPZABPPHOXIPB-YPMHNXCESA-N 445.335 2.180 30 10 IEEE C#Cc1ccc(C(=O)N(CC)[C@@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1640600128 UGRAMIIGSBSHPH-KRWDZBQOSA-N 428.533 2.383 30 10 IEEE CN(CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)C[C@H](O)c1cccc(C#N)c1 1643726159 XOXHIVORXASNPM-DEOSSOPVSA-N 448.567 2.263 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1648586501 NGEPKPZPIXONGL-OAHLLOKOSA-N 436.438 2.048 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1652332164 QJLDDCKKZJFRQH-OAHLLOKOSA-N 431.493 2.107 30 10 IEEE Cc1c(Cl)cccc1N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1653468388 MUCFBXXEXZLVQI-UHFFFAOYSA-N 432.933 2.036 30 10 IEEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653759618 DTDOKCCGRTYVDT-UHFFFAOYSA-N 438.875 2.033 30 10 IEEE Cc1nc(CC2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)no1 1654859434 BLPNULXSGNXDTK-OAQYLSRUSA-N 440.523 2.181 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCN2CCOCC2)CC2CC2)cc1 1658320600 LAHRNGGJUVXWGJ-UHFFFAOYSA-N 436.578 2.069 30 10 IEEE COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1F 1661362069 HELRRCUOKHRXRK-MRXNPFEDSA-N 449.435 2.097 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)C(=O)OC 1663037412 GSKAWLMBWWQSIU-GFCCVEGCSA-N 426.716 2.266 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)OCC 1665221363 CWPLDIPQMDHYPF-GFCCVEGCSA-N 434.308 2.397 30 10 IEEE C#CC1(O)CCN(C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1669701228 LNEZYCMRUYIELT-FQEVSTJZSA-N 430.501 2.488 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1 1675264308 LPTJVKVITSSECZ-UHFFFAOYSA-N 436.491 2.254 30 10 IEEE C#CCOc1ccccc1CNC(=O)NCCNC(=O)c1ccc(Br)cn1 1678937709 RTESDUTVMPAGDS-UHFFFAOYSA-N 431.290 2.085 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](NC(=O)c4ccccc4)C3)C2=O)cc1 1680779455 XXCYKGRIDYYYDH-VXKWHMMOSA-N 445.523 2.263 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)O2)C1 1687097527 IUXGGMKWAUHCBL-RTBURBONSA-N 426.517 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCCC1=O 1689840190 UPNPSDREDRNQIP-SFHVURJKSA-N 447.547 2.171 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC(C)CC1 1689840377 YLKLSIMTPZAKNZ-MOPGFXCFSA-N 433.564 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)CCC)c1 1689868580 LDHIOJLMGTXUEY-QHCPKHFHSA-N 440.548 2.024 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1689964745 WHXGLTBYMMPYOG-KRWDZBQOSA-N 442.568 2.223 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1690050219 XHPCWIRUSVHJDL-UHFFFAOYSA-N 440.569 2.165 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccncc1Cl 1690097149 BNEAYYIUKKTKMS-UHFFFAOYSA-N 449.906 2.104 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690106175 MZUAEMOGFFFXBV-RXVVDRJESA-N 431.581 2.328 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CC1 1690411418 LXHMGIKGINBPNG-OALUTQOASA-N 438.594 2.026 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690489856 GSKGJCPSXIXLKI-UHFFFAOYSA-N 442.486 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690715320 IWSNPTPFEOIMTH-MSOLQXFVSA-N 447.609 2.288 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1692449557 KUNRVQWURVKDOM-DPPKGPFUSA-N 428.537 2.323 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1692852859 LKHSSEXLGFVGBT-UTKZUKDTSA-N 446.506 2.221 30 10 IEEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCCCS(C)(=O)=O 1693497457 MCQWKCLWZBNXHX-UHFFFAOYSA-N 430.578 2.390 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)OC 1694446345 FTVJDANQORMAGG-GOSISDBHSA-N 426.521 2.246 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697870261 ZSNOBLNRZNYPED-MBOBHEEDSA-N 436.516 2.253 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@@]2(O)CCOC2)c1 1698484999 RLANYJUIELBBQO-IBGZPJMESA-N 430.306 2.457 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1705503345 VAQWTIBJUBDFPI-YWZLYKJASA-N 448.365 2.144 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1noc(CC)n1 1705540733 LFVQHCNVZAWDRI-UHFFFAOYSA-N 427.896 2.119 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1705583343 WCFHCXXJUSILPM-REWPJTCUSA-N 449.555 2.100 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705610490 QHQHZMCQMHUZJW-RTBURBONSA-N 428.562 2.004 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)CC1 1705634224 NVOFDFHSUIHYBM-UHFFFAOYSA-N 440.305 2.304 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1705705082 CNHGTAUMWNYZEH-CTNGQTDRSA-N 430.574 2.279 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705902509 GGVDMQQKUPAVCL-SJLPKXTDSA-N 444.511 2.404 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1705988463 WCDUHKGHWIZMPR-NRFANRHFSA-N 438.532 2.071 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOCC1(C)C 1708719000 DKCCEDNKFGHJDC-UHFFFAOYSA-N 431.585 2.047 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1711165832 CYCSNZUKQKXXRC-QHCPKHFHSA-N 441.532 2.458 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCOCCCO)c1 1712878024 BVBKYINFZYUSBZ-UHFFFAOYSA-N 439.438 2.109 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C(C)C 1722276467 HJOUUJFUHVVOGW-OAHLLOKOSA-N 429.521 2.201 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCC(OC)CC1 1722346799 WYBJVWZOWXJHPI-UHFFFAOYSA-N 445.589 2.470 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722360859 KCKQLYFKGDRMHK-SFHVURJKSA-N 444.948 2.007 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722363662 BCFMNZVKYLSHKY-VQTJNVASSA-N 425.558 2.247 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2c(C)cccc12 1722382477 HPKGSTOFRWNWTH-LJQANCHMSA-N 435.553 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccccc12 1722390875 VMGIZIOYCPASQF-QGZVFWFLSA-N 438.557 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCS(=O)(=O)C1 1722392659 QFIWCHXATSFOQB-SFHVURJKSA-N 433.537 2.391 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1noc2c1CCCC2 1722419601 AXVPAWMWTWTTPG-QHCPKHFHSA-N 443.548 2.320 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(N(C)C)CCC2)CC1 1722448920 CYMRQQWXRPAGLQ-UHFFFAOYSA-N 426.609 2.461 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1722492444 SMBNBXBTSIELKA-GGPKGHCWSA-N 447.580 2.090 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2n[nH]c(C)n2)CC1 1722578974 FEMIOYOHQAOPDE-UHFFFAOYSA-N 426.550 2.341 30 10 IEEE C=CCSCCn1c(C(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1722732675 NKRRNSOCBBXKIA-MRXNPFEDSA-N 427.582 2.474 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C(C)C 1727658347 FDEQHYQFGKPAPO-RBUKOAKNSA-N 426.521 2.115 30 10 IEEE CCOCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729164283 WEXTWZGMHUKHTP-SFHVURJKSA-N 426.521 2.079 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1=O)[C@@H]1CCOC1 1729369788 OMCUCWAHUAQXGK-LJQANCHMSA-N 438.532 2.356 30 10 IEEE COCCCN(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1730689864 PKCQMYHIFVNFRU-HXUWFJFHSA-N 431.472 2.264 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C(C)C 1740537960 AWUZSRKVRVNSEC-APWZRJJASA-N 433.578 2.324 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCOC(C)(C)C1 1740560020 ZZSFXZPTGGKUNX-GOSISDBHSA-N 427.549 2.434 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2nnc3n2CCC3)c1 1740563365 WZUISJZGMAYRHR-UHFFFAOYSA-N 432.532 2.218 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc2c[nH]nc2c1 1740641075 CHTKVPCZCZQWKT-UHFFFAOYSA-N 443.536 2.461 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1740649300 QVZSEFDMEDXNOZ-INIZCTEOSA-N 449.964 2.084 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CCC)C1 1740714331 ZTMVJWBUSIIGTH-LJQANCHMSA-N 438.561 2.293 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCCC(=O)NC 1740762737 FYTSEROLNKYGNH-WIYYLYMNSA-N 429.569 2.083 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC 1740770395 QUQQRROFGVJUBW-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=C(Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1740798239 CUPMJPKUGZSUBR-UHFFFAOYSA-N 443.529 2.200 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(F)(F)F)CCO1 1748207685 KPALMMOSZVQWSZ-OAHLLOKOSA-N 436.438 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1748672674 WNYIQVCHORGZPM-MDOVXXIYSA-N 436.965 2.199 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1748732330 YMAFWQPSHDBRIJ-YJBOKZPZSA-N 435.525 2.019 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC(C)(C)C1 1748785105 YIDFZBPEVVYJJK-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1748817662 NTVGMSPLYBWSDK-ROUUACIJSA-N 448.976 2.419 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccnc1)C(C)C 1748846491 HKKWHPLKSJLSOW-VQTJNVASSA-N 425.558 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)CC=C 1748898887 XIAFNXNLDIDHRA-UHFFFAOYSA-N 435.553 2.414 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCC(=O)NC)CC1 1748983527 RXWWLVZWROXWTC-UHFFFAOYSA-N 448.527 2.008 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1748983543 SKPTWJMQIBKIKT-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1748990987 NQLDIBAKMPSBIU-AZUAARDMSA-N 428.606 2.292 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(OCC)CCCC2)CC1 1748994784 RAOMUEXKUPIYNX-UHFFFAOYSA-N 425.581 2.244 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749047032 MVJUHXGMZZGAEN-QFIPXVFZSA-N 425.558 2.391 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C 1749378161 VTLXOSQGMKOPFQ-GOSISDBHSA-N 427.484 2.392 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749668578 AJFZWKVGFDHTIE-INIZCTEOSA-N 446.502 2.079 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1Cc1ccc(C#N)o1 1749919124 BOZHVVWMSYGOSL-FAEJEUNOSA-N 444.536 2.399 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1750061730 SSEDAPYPPNPZPT-QHCPKHFHSA-N 441.532 2.254 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC2CCCC2)c1 1750381905 KBYXQZDZRKZXMG-UHFFFAOYSA-N 429.546 2.401 30 10 IEEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccncc3)n1CCCOC(F)F)C2 1750382755 XJRLDGPMFHOKJL-UHFFFAOYSA-N 441.442 2.428 30 10 IEEE C#CCN(c1nnc(C)n1CC(C)(C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760181667 ZMFXYSIMLQPCGM-SFHVURJKSA-N 446.573 2.208 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760186917 HASLLQSMZCVREP-DLBZAZTESA-N 448.614 2.471 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1760232951 GPTJQDJBOCOOSV-SFTDATJTSA-N 441.601 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)[C@@H](C)CCC)CC1 1760257662 DFFOSHDCNCSYOJ-IBGZPJMESA-N 438.576 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1760268402 JGHFHRGYZPXIES-QZTJIDSGSA-N 442.608 2.009 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 1760299721 FUTSGRBPINXMPH-UHFFFAOYSA-N 448.369 2.420 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1760337819 WKKDQSQAWMUSDZ-IBGZPJMESA-N 437.504 2.346 30 10 IEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1760383585 USZLKKOIIKYEDD-IBGZPJMESA-N 442.564 2.438 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1768114466 XWGHMOPRORCVFP-PMACEKPBSA-N 439.564 2.436 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1770882556 WYVPMSAAKUKZAW-GOSISDBHSA-N 446.577 2.009 30 10 IEEE O=C(C[C@H]1SC(=NN=Cc2cccc([N+](=O)[O-])c2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 1772727334 LLQAWIAPXJPDDY-OAHLLOKOSA-N 442.413 2.453 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)c1cn2cc(F)ccc2n1 1851723456 HLLLYSDCDYTNRF-UHFFFAOYSA-N 434.884 2.434 30 10 IEEE Cc1nc(C(=O)NCc2cncc(N3CCN(C)CC3)c2)c(C#N)c(C)c1Br 1851786281 PJTKDXZDZOJGMC-UHFFFAOYSA-N 443.349 2.409 30 10 IEEE N#Cc1cc(Cl)c2nc(C(=O)NCC(=O)N3CCN(c4ccccc4F)CC3)cn2c1 1852049518 LBWMXGZIENGTKA-UHFFFAOYSA-N 440.866 2.077 30 10 IEEE COc1ccc(-n2nc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)nc2C)cc1 1852746353 XVXXRCRZRREPGF-UHFFFAOYSA-N 445.423 2.459 30 10 IEEE CN(CC(=O)N1CCCCCC1)C(=O)CCON=C(N)c1ccc(Br)cc1 1853444138 HVBKUTZUEVVIBM-UHFFFAOYSA-N 439.354 2.337 30 10 IEEE CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)O2)CC1 1857457048 DHDIGNRUCFPGFL-QGZVFWFLSA-N 439.921 2.429 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc1O 1862738206 VZZYOGNUNIMDLW-GOSISDBHSA-N 428.397 2.270 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)ccc1O 1862745399 IEUFJJRLJIJLJO-SFHVURJKSA-N 428.397 2.270 30 10 IEEE C=CCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(OC)c(OC)c2)C1=O 1863163684 UFZCUYLBGLLIHA-UHFFFAOYSA-N 442.493 2.485 30 10 IEEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870560409 UYMKVFSMLBFBTL-UHFFFAOYSA-N 431.540 2.144 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN3CCCC3)SCC(=O)N2C(C)C)cc1 1889294361 ZJXONOJYTHCOCI-VXKWHMMOSA-N 429.586 2.304 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OCC 2006228042 KIMDLJXPCJITBQ-CHWSQXEVSA-N 427.361 2.229 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2010078353 VHQLIKOLRDWQFP-QHCPKHFHSA-N 430.501 2.377 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNc1cnn(CC(=O)OC)c(=O)c1Br 2196998806 FLBKMZGPKQPWKV-UHFFFAOYSA-N 445.314 2.062 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247825280 BAGPIYYMXCQLRZ-QWHCGFSZSA-N 437.371 2.475 30 10 IEEE C#CC1(N(C)C)CN(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1 2251735853 MCZDWWADNPGXME-UHFFFAOYSA-N 427.545 2.216 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626897 LRVAQHJQSHWEHH-ZIAGYGMSSA-N 434.346 2.275 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1 2255649160 QKKCHNBOETVZCR-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255832665 PLMVRONALIIPID-STQMWFEESA-N 449.382 2.346 30 10 IEEE COC[C@H](CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2256669551 RDOZCPFCBKNHET-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997384 UGMAHLRHDPJZLT-CABCVRRESA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267091153 PLLBODAFSOLFTE-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267177304 LWZKTIOWTNZZLW-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267185725 ZOOVAXCBISSRDC-GOSISDBHSA-N 438.381 2.456 30 10 IEEE Cc1cc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2267230912 VBASNNMPTPSTEK-UHFFFAOYSA-N 445.369 2.492 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267273423 MWTDUHVMQMDPTD-QWHCGFSZSA-N 441.259 2.052 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2267498301 UDVWWZJMNNEDRS-CQSZACIVSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879954 NJXZDBITCYDCCW-GJZGRUSLSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCO1 2268663577 MFZJRUMVNCESJM-QFIPXVFZSA-N 447.341 2.393 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2300342190 QUECWWRSPFRVMO-LBPRGKRZSA-N 439.343 2.113 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1C 2315590013 VCQNGAXIJCYYHS-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C 2337284118 XKPHHZVGKJTDGI-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)C#CC(=O)O)cc1Br 2366898412 WGEPZJYYHDNNGL-MRVPVSSYSA-N 425.098 2.275 30 10 IEEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc1 20292025 VJZLBHQRQNHYDZ-SSDVNMTOSA-N 440.489 2.063 30 10 IEEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)NCCc2ccc(Cl)cc2)n[nH]1 20424130 WFRXGUPKGFJVMQ-ZVBGSRNCSA-N 432.941 2.397 30 10 IEEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(C)cc3s2)n1 22629013 JDKGHHGLPBOVGA-UHFFFAOYSA-N 429.527 2.264 30 10 IEEE C=CC(C)(C)[C@@]12C=C(O)C(=O)N3/C(=C/c4cnc[nH]4)C(=O)N[C@@]31N(OC)c1ccccc12 100152643 JTJJJLSLKZFEPJ-NTFHPHABSA-N 433.468 2.350 30 10 IEEE in-vitro C=CCc1cc(CNC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc(OC)c1OC 440089466 ROWRIAHZIWQLBA-RNIPGJKVSA-N 446.500 2.067 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)NCCOc3ccc(C#N)cc3)CC2=O)cc1OC 460282524 RBLNYHKCAXRUFQ-IBGZPJMESA-N 437.496 2.162 30 10 IEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 460948496 WVJLROHCLKGWQY-FQEVSTJZSA-N 434.544 2.478 30 10 IEEE N#C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CCN1Cc1ccccc1 479064152 GQVVGIIAGHVORW-YADHBBJMSA-N 435.503 2.346 30 10 IEEE CS(=O)(=O)c1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 479317774 ZAOAYWVMDJUOIL-UHFFFAOYSA-N 442.497 2.286 30 10 IEEE N#Cc1ccc(OCCNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 485405998 IACGLQXYSXZIGW-MRXNPFEDSA-N 429.502 2.192 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCC#N)Cc2cccnc2)C1 499346038 WMIHMVDKZWWLOZ-GOSISDBHSA-N 431.518 2.030 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](O)(C(F)(F)F)C1 508840757 MSBFBHFWOYWKNU-LJQANCHMSA-N 434.422 2.272 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(Cc2nc(C)no2)CC1 508841413 QYKXGMMMEFZJJQ-UHFFFAOYSA-N 425.493 2.065 30 10 IEEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccccc2)c1=O 523734610 RRYUDULIGDTBKH-UHFFFAOYSA-N 435.524 2.433 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C[C@H]3CCCO3)c2=O)nc1 532394599 KPLBVJXNYXUWEF-QGZVFWFLSA-N 449.507 2.317 30 10 IEEE COC(=O)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c2ccccc21 535468236 IIIJGVAJBBMRPO-RBUKOAKNSA-N 446.463 2.457 30 10 IEEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1C 541124023 PLHWIBBYAOHAEB-UHFFFAOYSA-N 432.893 2.238 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)CC1 546221422 BBXQRXRYFOGEQT-UHFFFAOYSA-N 432.484 2.346 30 10 IEEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 549292419 QULOXVGVYNCGTC-FQEVSTJZSA-N 444.511 2.130 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCCN(c2cccnc2)C1=O 553514893 DLKYUTGNQHXAAP-HNNXBMFYSA-N 435.303 2.190 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc(Br)c1C 555139681 IJLYFYRJWBKPRO-MRXNPFEDSA-N 431.308 2.237 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)CC1 558130847 PNWPRIMJYWYLPG-CVEARBPZSA-N 442.486 2.394 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 560169568 DAMQFMPIBLAXDP-UHFFFAOYSA-N 427.383 2.460 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)s1 562307797 WCLAGXUGBZPRAN-AWEZNQCLSA-N 430.551 2.031 30 10 IEEE COCCCS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 564618496 YHJZKNHSIBWAJC-UHFFFAOYSA-N 443.529 2.118 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cn2)C[C@H](C)O1 608924953 DEACNUHPXSEMFL-HOTGVXAUSA-N 431.500 2.265 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(-n2cncn2)cc1 611433168 OEFQEVXUNPBWNG-WZONZLPQSA-N 447.518 2.466 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2cccc(Cl)c2)c1=O 671654070 ZYPUMOCKIIYPQF-UHFFFAOYSA-N 438.940 2.467 30 10 IEEE CCOc1ccccc1[C@@H](CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)NC(C)=O 728408437 DUHFYTKSQFTXPF-LJQANCHMSA-N 429.498 2.170 30 10 IEEE Cc1cc(I)ccc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732413053 GMMBSSCDNOAKFH-PFONDFGASA-N 440.241 2.248 30 10 IEEE N#C[C@@H]1CN(Cn2nc(N3CCCCC3)n(C[C@@H]3CCCO3)c2=S)CCN1C1CC1 732672118 DDZNSAONLIXXNP-MOPGFXCFSA-N 431.610 2.213 30 10 IEEE CC(C)[C@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 739402140 NFOICIKFSKRRCM-QAPCUYQASA-N 447.605 2.077 30 10 IEEE CCO[C@H](C)c1noc(CN2CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)n1 746771215 BNIQLJWLDVZSFL-OAHLLOKOSA-N 428.493 2.075 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2sccc2S(=O)(=O)NCc2ccco2)c1 751344588 GVRGYZQJMYLEGT-UHFFFAOYSA-N 443.506 2.169 30 10 IEEE N#Cc1ccsc1N1CC[C@@H](OC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1=O 751635188 LMNNDHYHAYCCOJ-JKSUJKDBSA-N 427.507 2.484 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC(=O)N2C)cc1 760400595 BHZLJVKHPBJNPD-HKUYNNGSSA-N 433.530 2.135 30 10 IEEE C#CCN(C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 763294478 PALXZKVFXPXJFS-BZSNNMDCSA-N 426.579 2.309 30 10 IEEE C[C@@H]1C(=NNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC(=O)N1C(=O)OC(C)(C)C 766432781 BHQNHYIGFNNUMC-GFCCVEGCSA-N 439.538 2.482 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCC(=O)N(C)C(C)(C)C#N 767830696 SZIMXLFBPCVFJK-UHFFFAOYSA-N 431.308 2.078 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)cc1 780922466 RKLJUBPMJLDSHA-WIYYLYMNSA-N 427.526 2.117 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1-c1ccsc1 790432812 HLJGHTBWKZSRFD-UHFFFAOYSA-N 444.541 2.314 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C#N 804089955 NXTBXJGFWZAUFJ-DLBZAZTESA-N 430.505 2.135 30 10 IEEE CC1(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CCN(C(=O)OC(C)(C)C)CC1 804160980 IDPJCPDBNDKJDK-UHFFFAOYSA-N 432.496 2.467 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812387625 POJXFIHIIDDQAD-BRWVUGGUSA-N 434.541 2.219 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2(COC)CCOCC2)C1=O 813563915 QISOAWLYAOJVSJ-KRWDZBQOSA-N 430.530 2.069 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn(C)c2)c1=O 838648652 MNUZGNVQXVBYCY-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE COC(=O)[C@@H](CC(F)(F)F)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1138083255 LXZMQQAAWINAOI-YMOZUKEZSA-N 433.427 2.383 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC(O)C1 1138409079 FRISOVNFIPPJOS-UHFFFAOYSA-N 444.532 2.425 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811048 CDKMHGCMFDASQC-MRXNPFEDSA-N 438.488 2.170 30 10 IEEE CN1CCC2(CC1)CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1151052900 WBYIPOMEBBHRGF-UHFFFAOYSA-N 444.601 2.293 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 1156264767 DFPTXYRUJLMFPF-INIZCTEOSA-N 427.509 2.104 30 10 IEEE COc1ccccc1-c1nnc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)s1 1158994252 GDYYBIQGYBGDPF-UHFFFAOYSA-N 443.510 2.281 30 10 IEEE COCCN(Cc1ccc(F)c(Cl)c1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1162044745 FTMFJTLBHUCZKA-UHFFFAOYSA-N 439.896 2.304 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)CCCCOc1cccc(C#N)c1 1167023765 FQNWQLWMEUCOKK-QHCPKHFHSA-N 447.532 2.222 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4sccc4C#N)C3)[C@@H]2C1 1175428660 RKMXGUJFMPZYKE-ZNMIVQPWSA-N 432.502 2.274 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CCOCC1 1195015399 RYRFZYNEJNKIEJ-UHFFFAOYSA-N 427.320 2.185 30 10 IEEE CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1231030023 BIOJIUGFUZANKV-AHRSYUTCSA-N 448.589 2.414 30 10 IEEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1252550068 PQRIZIXLFMMMQT-HNNXBMFYSA-N 427.523 2.006 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)SC)c1 1286310311 SNMDBGZWDLKSHT-QGZVFWFLSA-N 440.573 2.427 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286327605 JMNOMMCPQTZKLO-LJQANCHMSA-N 442.589 2.265 30 10 IEEE C#CCCCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286335337 POUHMZMLRSWUOC-WMZHIEFXSA-N 429.565 2.323 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1286491368 OTYJPRRPYVKLCG-IBGZPJMESA-N 426.565 2.482 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286538880 SUQCTIGNCHGLIB-DYVFJYSZSA-N 426.315 2.459 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1286635032 IDESJTJFMJPLDI-JXFKEZNVSA-N 425.961 2.424 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286689540 UBIDGRVBAFWHJK-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@H]1CC 1286705691 CPCXOXYSZGNVPZ-LJQANCHMSA-N 440.548 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286821352 IARNRLBOXUSVLB-YLJYHZDGSA-N 447.580 2.282 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1288517204 AOBHKNWNYMKUKM-IKGGRYGDSA-N 443.577 2.103 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nncn2-c2ccccc2)CCOC1 1296517446 GMIBIUNQXSATRB-HTAPYJJXSA-N 436.520 2.298 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(-c3nc[nH]n3)cc2)CCOC1 1296525183 ARFUHHREHVXWAA-ZHRRBRCNSA-N 436.520 2.359 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 1297246968 UFECMEBBBDBKCY-UHOSZYNNSA-N 433.574 2.438 30 10 IEEE CN1CCC2(CC1)CN(C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 1299839527 WLLCGMHDTIWGJR-UHFFFAOYSA-N 438.488 2.309 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1300441735 XWHQLDZMPWUBNI-ZJBJCVSYSA-N 428.558 2.359 30 10 IEEE C=CCC1(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCOCC1 1300472457 QUHUIRCFIWVKBT-UHFFFAOYSA-N 431.352 2.359 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 1300484589 QPHQPOGKOIRRSV-FUHWJXTLSA-N 426.546 2.114 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1300545679 UNRWXXOMEWMUGJ-SFTDATJTSA-N 437.592 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)c2ncc(C)s2)CC1 1300683753 SHPAPNURUYXTEY-WMZOPIPTSA-N 432.594 2.326 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(=O)(=O)CC)CC1 1301086620 YKFQTNYTTZWAOK-UHFFFAOYSA-N 445.593 2.043 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1301252441 NHULYOMTQANECV-UHFFFAOYSA-N 448.531 2.155 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)CC1)C(C)C 1301367524 PQIHSOVWSXQDBK-VQTJNVASSA-N 435.638 2.439 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(c2cccc(OC)c2)CC1 1301501465 XHXVDXRISWEYBY-LJQANCHMSA-N 425.533 2.477 30 10 IEEE C#CC[C@H](COC)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1301823338 WUZKUHWLJJCUQY-LLVKDONJSA-N 426.844 2.182 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1302090413 ZSRIFEGGBWMSDZ-QGZVFWFLSA-N 436.564 2.084 30 10 IEEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1302228725 XAKUGMWFPQEOSX-UHFFFAOYSA-N 435.532 2.130 30 10 IEEE C=CCC1(O)CN(C(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@H](C)C2)C1 1303534632 KTRZNHMAXUQNGE-IYBDPMFKSA-N 428.558 2.485 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1C 1303550413 OTRKKFQUXBQDKD-UHFFFAOYSA-N 436.560 2.317 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C1CC1 1303858617 DOTFWYZCMWVTDX-ZDUSSCGKSA-N 449.968 2.075 30 10 IEEE Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1304307975 NONPMCCODBULIV-DPHDRGAJSA-N 440.504 2.377 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1308111945 BXTUHZHFXPDTLM-HNNXBMFYSA-N 427.578 2.118 30 10 IEEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1316107627 YXZYIJCWNLBTSB-UHFFFAOYSA-N 435.488 2.158 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccnc(C(F)(F)F)c2)c1 1316530079 FTYFUEMOVAEGEE-UHFFFAOYSA-N 427.390 2.215 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3(n4cnnn4)CCOCC3)c2)c1 1357336661 QCMNHTDRJYFCNP-UHFFFAOYSA-N 431.452 2.004 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccccc1 1358880177 GLFYFJXBNSKPED-OAHLLOKOSA-N 444.948 2.430 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359123266 UTNUTLKKVUPJOM-QFIPXVFZSA-N 431.544 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCCO[C@H](C)C1 1359333240 ROWHVQFGRGUTSH-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C[C@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1447653888 UBQFBHWIQZEAHC-HNAYVOBHSA-N 447.557 2.428 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCO[C@@](C)(C#N)C1 1456469320 AJFYWVBTSJBYOM-CTNGQTDRSA-N 447.582 2.381 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(CF)CCOCC3)nnc12 1457816780 FRBWYJNDNKYJHL-UHFFFAOYSA-N 445.520 2.205 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CCN3CCCCC3)nnc12 1457875814 JFYHZZBLRYRCTM-UHFFFAOYSA-N 440.573 2.267 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1cc(C#N)ccc1Br 1460449946 JIRDXGJWJJBAOC-LJQANCHMSA-N 440.338 2.409 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)[C@@H]3CCC[C@H]3C#N)cc2)C[C@@H](C)O1 1460605049 GICUJRXVCUEXHN-PDOICOKGSA-N 434.562 2.047 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(OCCO)c(OC)c2)c1 1466035741 SSEZUUBXCNOWQW-MRXNPFEDSA-N 431.510 2.354 30 10 IEEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1469464297 TZLFYUKZBBBPNB-GOSISDBHSA-N 447.488 2.201 30 10 IEEE COCCOCC(=O)NC1CCC(C(=O)N2CCC(Nc3ccccc3C#N)CC2)CC1 1470615083 IARDJCPODHCABI-UHFFFAOYSA-N 442.560 2.299 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCC(F)F)CCO1 1505322399 NCRIZGFVMXFDRV-WMLDXEAASA-N 435.431 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1507515843 ITBBDKOBKIXXCC-JUVOFCAFSA-N 425.599 2.330 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCOCC1 1507522278 UUIILCDTBUZRPR-KRWDZBQOSA-N 445.589 2.470 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1507571410 ABUBEQXTRDDARF-UHFFFAOYSA-N 437.592 2.088 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1507571896 QDSSLWSBEISEMM-MRXNPFEDSA-N 427.509 2.012 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CC 1507605598 WJBZFBGGKCQTKO-QGZVFWFLSA-N 429.594 2.100 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1507631419 DMCWQTWPMZXNQI-ZWKOTPCHSA-N 434.587 2.451 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507766807 YORRTNFXKOHMGH-HYBUGGRVSA-N 437.592 2.218 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ncnn2C(C)(C)C)CCOC1 1508410584 FKLHXXGMFORUMT-KKSFZXQISA-N 430.557 2.309 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1508410701 FXLAWQRRQIPQEO-ZRCGQRJVSA-N 448.612 2.271 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509181233 AYWBEIRSAXSITB-PANRORFQSA-N 428.537 2.010 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC[C@H]1C 1509686327 WETHXOBJDUGAEI-IEBWSBKVSA-N 436.564 2.446 30 10 IEEE C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1510034796 QBGJLLHEHPJFTG-QRWLVFNGSA-N 429.456 2.016 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(O)CCCC1 1513014832 DBTAYZILXLUTFA-INIZCTEOSA-N 426.569 2.337 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513388456 JSSGEZBJXDHCMW-ZZEZOPTASA-N 443.552 2.103 30 10 IEEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1N1CCCC1 1514903222 XKPLQUBILURILL-SFHVURJKSA-N 432.484 2.421 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1519274679 DIAOYSVTKFLZDH-XIKOKIGWSA-N 425.415 2.220 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCCC[C@H]32)ccc1F 1531640187 HCOIXZGCZRGRSI-SOLBZPMBSA-N 438.521 2.484 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1539223937 ACSYDQAILARHNT-ZVDOUQERSA-N 434.606 2.309 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1539344214 XRMXGGASEDYQDL-ZDUSSCGKSA-N 425.942 2.058 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccnn1C)C1CC1 1539492081 ZFZQGXCNFSVCAY-UHFFFAOYSA-N 436.545 2.194 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539743163 XHVMVUAGDUQFCJ-UHFFFAOYSA-N 439.495 2.264 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1540867900 LKQNHKRLKSUGRX-IEBWSBKVSA-N 439.564 2.164 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1541279807 FSKWDIQZTJBELA-UHFFFAOYSA-N 434.548 2.391 30 10 IEEE CC[C@@H](Cn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1)NC(=O)OC(C)(C)C 1545954469 FHTNMWGOVIJMST-INIZCTEOSA-N 427.509 2.425 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCSCC1 1546527311 BFVIMNHDJZKNRT-UHFFFAOYSA-N 429.569 2.227 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1555049605 ODNDZCMHEUJTGA-HXUWFJFHSA-N 432.550 2.023 30 10 IEEE COCCCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555460259 JPVNHCGLLVZWKI-GOSISDBHSA-N 449.563 2.477 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(C)COC1 1555674576 UOUBNOMYTGORIQ-FXAWDEMLSA-N 441.532 2.488 30 10 IEEE C#CCOc1ccc(CNC(=O)Cn2nc(Br)c(Br)n2)cc1 1556660043 CZCHCLNEMPPMTR-UHFFFAOYSA-N 428.084 2.132 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCC[C@@H]3N3CCOCC3)ccc2c1=O 1558300383 UUYYEVUGFXUQSF-PXNSSMCTSA-N 442.585 2.492 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1561829027 HIOXFFXFLNXJDH-LJQANCHMSA-N 438.546 2.462 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1564448287 VPLINOPWUGMEBE-JCGVRSQUSA-N 443.356 2.152 30 10 IEEE CC(C)(CO)c1nc2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2[nH]1 1568507347 BJUJFTWSTORADJ-LJQANCHMSA-N 431.496 2.235 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1cnn(CCC#N)c1C)C2 1584352078 DGGKJIHWDGBCIF-ZMPRRUGASA-N 445.520 2.024 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1 1584681936 HGFNWOJYBNUAJH-GOSISDBHSA-N 428.562 2.270 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CC(OCC)C1 1587610117 WHIRFTCCRNCOPD-MVBMGLOESA-N 426.565 2.011 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587739715 ZAXACMPLENTDRE-IBGZPJMESA-N 436.516 2.230 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1588084372 QQVAHPHHTQZFEL-KRWDZBQOSA-N 438.557 2.075 30 10 IEEE Cc1ccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 1588126055 JOVJIROCOSEVHQ-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCOCC1 1588672067 AMMVDNVWVJPNNR-FQEVSTJZSA-N 436.560 2.088 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1593671775 QUFMQIZDSLOTET-MRXNPFEDSA-N 437.541 2.338 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1593752734 PSLAFBXONVTIKM-HSZRJFAPSA-N 425.533 2.187 30 10 IEEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 1594788495 NQXVJWRJHDIEJG-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1595569271 DBSQNXGGZBPSSY-LJQANCHMSA-N 434.548 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1595798927 VQBQFOMYMOPKPE-IBGZPJMESA-N 448.593 2.238 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C#N)C3CCCC3)CC2)cc1OC 1596433986 GSXXJJIKATWREP-GOSISDBHSA-N 435.546 2.303 30 10 IEEE N#Cc1cccc([C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(F)(F)F)c1 1597803429 HSFVBDAIMZTATK-INIZCTEOSA-N 432.314 2.482 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@@](C)=O)CCC1 1603554021 MFFPMZQZBVUBIE-SSEXGKCCSA-N 428.562 2.313 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1614226454 VAGPENDMLRIUOZ-APFMSCDFSA-N 440.479 2.226 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1618736492 QFZQNWCMKPAXIK-SFHVURJKSA-N 438.532 2.322 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1619913598 IFJLHQJLJADSHH-GOSISDBHSA-N 426.521 2.174 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)Cn3ncc4cc(C)cnc43)c(C#N)c2N)cc1 1621094221 TUSPKJBTZQINFS-UHFFFAOYSA-N 428.500 2.437 30 10 IEEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)[C@H]1c1cccnc1 1622843649 PBWXNSHNHJZAKI-NZQKXSOJSA-N 433.512 2.463 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1629309799 AITFJMAVCSTWRV-INIZCTEOSA-N 431.493 2.010 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(I)cc1F 1631463308 HGKLQHCNHZVEAL-UHFFFAOYSA-N 431.249 2.118 30 10 IEEE C=CCN(C(=O)c1ccc(S(C)(=O)=O)cc1N)[C@@H](Cc1ccccc1)C(=O)OCC 1632980826 CHGWAPBBIXKBBP-FQEVSTJZSA-N 430.526 2.475 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)C2)nc1 1635415453 HCCSQUGJZNDHMZ-LJQANCHMSA-N 439.541 2.358 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@](O)(C(F)F)C2)cc1[N+](=O)[O-] 1635929533 UHCBIERORVGEQX-IBGZPJMESA-N 435.387 2.223 30 10 IEEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1636546318 OKOPTSLXYHLOGT-SCLBCKFNSA-N 447.488 2.076 30 10 IEEE CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)CC2 1636585983 DZPDIOUOIRNXSE-YADHBBJMSA-N 426.561 2.484 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1637514231 QNHLQSRXTCIWJA-CVEARBPZSA-N 425.526 2.045 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(I)cn2)C1 1638203794 WQNZGWMGSLAIKW-MFKMUULPSA-N 442.257 2.175 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)[C@H]2C1 1638218112 OIUDSXKGXDNJTD-KBAYOESNSA-N 427.505 2.229 30 10 IEEE CN1CCN(S(=O)(=O)c2ccccc2CNc2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 1639460778 ZWWGTWCSNOTEPU-UHFFFAOYSA-N 433.465 2.154 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1S(=O)(=O)NCC#N 1642725637 NSOUCFBSPXPBLU-UHFFFAOYSA-N 434.468 2.038 30 10 IEEE C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)cc1OC 1643370554 ORHXRUWIWYDABI-UHFFFAOYSA-N 428.441 2.424 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 1643725507 CVNZSGKFHSXXCC-UHFFFAOYSA-N 441.359 2.314 30 10 IEEE C=CC[S@](=O)(=NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)c1ccccc1 1648461704 OYJRKTZQOGWOCJ-VGHVDPOBSA-N 436.555 2.262 30 10 IEEE COC(=O)[C@H]1CCc2sc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)nc2C1 1672971099 HYQXIIPSQYQIQP-KBPBESRZSA-N 427.486 2.373 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1689882506 CDQOSISWWZEYLU-NRFANRHFSA-N 432.528 2.448 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1689972161 HIBHNUVPEFSYKZ-KRWDZBQOSA-N 430.553 2.117 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1689984311 NHPLBVCGYDBJQW-IBGZPJMESA-N 445.589 2.348 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1690047679 WVYQFYYCHLVQJS-HSZRJFAPSA-N 433.556 2.125 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)OC(C)(C)C 1690098640 PNUVLXDCSGPXGL-UHFFFAOYSA-N 443.504 2.285 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1690594622 BOMGGGKBMSATCT-UHFFFAOYSA-N 439.564 2.172 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC=C(C)C1 1690659216 MRSMIFHVBCRJTC-UHFFFAOYSA-N 428.924 2.320 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](COC(C)C)C1 1690673417 VVPRGPHAMHKSHF-FQEVSTJZSA-N 427.549 2.110 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)N2CCOCC2)C1 1690693912 HZCRYKOCUGVXDB-FPOVZHCZSA-N 428.581 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1690717439 GIFGGWNIXLUYTC-NRFANRHFSA-N 427.530 2.034 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690723175 KGOBENIVFVSQFA-UHFFFAOYSA-N 437.610 2.231 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1690737835 YVWDYAUFYPUXTQ-UHFFFAOYSA-N 438.575 2.116 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)C1 1690809147 CQKNTWMXOMMHEQ-GDBMZVCRSA-N 427.509 2.003 30 10 IEEE COCCCn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1698003184 MQKXZCXIOXQIEV-INIZCTEOSA-N 438.561 2.344 30 10 IEEE COCCCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1698010414 XPMYHMHQKVSAEJ-GCJKJVERSA-N 442.495 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCCOC)c1 1705474575 CTWONSHGTMZWSB-GOSISDBHSA-N 425.533 2.436 30 10 IEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705563043 POFNFCHDIFOJSS-AEFFLSMTSA-N 439.541 2.155 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705566692 QHXYDWTUIDRANX-ZWKOTPCHSA-N 431.562 2.249 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 1705651905 KSYZNEMNYMLMAW-HNNXBMFYSA-N 433.965 2.453 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705807667 KQISOGRRAIXTCZ-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705900388 AXSQGUXEJQPVKM-QHCPKHFHSA-N 436.491 2.188 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nnc(C)s2)C1 1705916706 MWQNPGJFQOBBOR-JXFKEZNVSA-N 434.566 2.308 30 10 IEEE CC(C)(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1706146705 ADCKUILMQLGORH-KRWDZBQOSA-N 438.598 2.177 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1706641482 GRLWBCYTPDGDHN-UHFFFAOYSA-N 433.472 2.203 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1709373276 LLTLEIIWFWWUPP-QUCCMNQESA-N 427.505 2.149 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1712543057 KOUVDVUGXGGIKQ-GAJHUEQPSA-N 440.548 2.474 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ncccc1F 1722353369 VGSVXRKLJWQGNE-UHFFFAOYSA-N 436.495 2.135 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSc2ccccc21 1722382011 DAHDUWZQWPDBJE-IAGOWNOFSA-N 426.567 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1722384569 WQIYXLHTRIKEHI-UHFFFAOYSA-N 430.903 2.276 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(COC)CCOCC2)CC1 1722438954 IRQNDQLQKSAJFY-UHFFFAOYSA-N 437.588 2.376 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722464276 ZXSYTIGZCDBASH-DYESRHJHSA-N 436.578 2.075 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)CC1 1722578982 FLESYZTZIDVYBX-OAQYLSRUSA-N 431.562 2.478 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1cnn(C)c1 1722693269 ITRSTCKGMDEYBF-UHFFFAOYSA-N 447.341 2.098 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc3c2OCCCO3)C1 1722708629 AKMYHJCSGMLNCQ-GOSISDBHSA-N 441.532 2.407 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1722718525 SZFSRUGXJAAIHF-GOSISDBHSA-N 427.530 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1722729150 XDZNDFGWYPSAEV-UHFFFAOYSA-N 431.562 2.296 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cncn2)C1 1722744723 VYPURPVVELVBGJ-BZSNNMDCSA-N 433.582 2.354 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1724112552 KATYICQYIHCLFX-UHFFFAOYSA-N 443.529 2.416 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CC2)cc1C 1724437542 DVBAFYBPZLWIKC-JJCDCTGGSA-N 429.546 2.114 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1731185615 AMHZEIBSXFDFPR-IEBWSBKVSA-N 426.496 2.353 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740570057 AMSGZUNXMKCFLH-IBGZPJMESA-N 437.504 2.268 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740617263 OPSGOWXMRQLQNN-NHCUHLMSSA-N 427.574 2.050 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)C1CC1 1740633680 PVECKCNMRWBSEA-UHFFFAOYSA-N 432.347 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCSC1 1740639182 SODJNXBIQCYNEK-QGZVFWFLSA-N 432.553 2.408 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740687462 FSFZNPGTCKWUPU-PZJWPPBQSA-N 443.548 2.191 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1SC 1740963528 NTLFKCMOTHPNNN-UHFFFAOYSA-N 428.562 2.061 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)C1 1740980785 MTCVXQDSFZIAKN-MSOLQXFVSA-N 438.594 2.047 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1741227582 WBQFXBHPIPHNAG-OAQYLSRUSA-N 449.531 2.261 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1741803489 QIRGJCFPWFBHED-WBVHZDCISA-N 445.545 2.012 30 10 IEEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1743361892 DYUVQAJGKSYYOI-SFHVURJKSA-N 432.532 2.006 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1746985765 DRSJHWOGQWXNRQ-HXUWFJFHSA-N 436.520 2.416 30 10 IEEE CN(C)C(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCCC1 1747523236 AWENDWBZAGVJQE-KRWDZBQOSA-N 427.553 2.008 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747731459 UUHLJUDYXQJOJL-QGZVFWFLSA-N 436.497 2.201 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1747813193 USCXOHOJEJTUDQ-FQEVSTJZSA-N 433.459 2.362 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(O)(CC)CC 1748649625 QWFRIHKJOJQKOH-MRXNPFEDSA-N 433.578 2.204 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748686489 QBENIFVPRNYNKC-WMZOPIPTSA-N 427.530 2.011 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1748817843 RJNNUXOMTLTDEL-QGZVFWFLSA-N 431.562 2.088 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@H](C)CC 1748915570 YEUXXZOFHWRWPP-VGOFRKELSA-N 447.605 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCNC(=O)c1ccc(C)c(F)c1 1748956224 NMQNEXYJMAEQSO-UHFFFAOYSA-N 438.507 2.247 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cc2)CC1 1748995155 YQKCOQGZAIIJJU-UHFFFAOYSA-N 438.532 2.212 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C 1749141295 YKHRQSYFXFBGHS-WMZOPIPTSA-N 439.626 2.465 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1749230491 YHDBUZPQHJIJCN-NRFANRHFSA-N 433.597 2.313 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncnn1CC(F)F)c1ccccc1 1749244213 IASKJIXAGSJFQS-INIZCTEOSA-N 442.474 2.436 30 10 IEEE COC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1749344661 OHXFAORXSKIZKZ-HXUWFJFHSA-N 439.564 2.265 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749386917 OGWHOQCJWGFRPY-UHFFFAOYSA-N 439.568 2.013 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760182015 AMHDNXCDVYXNMV-SFHVURJKSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cccn(CC)c1=O 1760200425 IAEXNPOIGBLWJJ-UHFFFAOYSA-N 437.507 2.434 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCN(CC)C(=O)OC(C)(C)C 1760208653 HRJFEMRRDJBXNQ-UHFFFAOYSA-N 430.553 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCOCC)CC1 1760270865 CVNHLTSFOLTJMT-UHFFFAOYSA-N 425.533 2.168 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760284439 MLOQANVDCXSLRJ-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC(F)(F)F)C1 1760540041 ZZZRWQRNMSHUQM-INIZCTEOSA-N 439.438 2.414 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1=O 1761121981 ZBAXOQAGOCQRKU-UHFFFAOYSA-N 442.589 2.237 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC[C@H]1C 1766408167 VISLOWIYAIUJPA-IEBWSBKVSA-N 425.537 2.080 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1769508371 BJFGPHNZFVXEBI-MSOLQXFVSA-N 426.477 2.475 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1770803199 QFRZLTZOHXIAMD-IBGZPJMESA-N 428.512 2.245 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1771167781 DAHVOYCIJXFTGG-VGSWGCGISA-N 429.521 2.316 30 10 IEEE COCCOc1ncccc1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1771237074 CKROGHWCWNTVQQ-KRWDZBQOSA-N 438.463 2.281 30 10 IEEE CN1C(=O)CC[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)[C@@H]1c1ccccc1 1852268943 DUCCDGQEXMSAQK-GMAHTHKFSA-N 447.539 2.228 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 1853219161 QIBFTDFDBFEWJI-NRFANRHFSA-N 448.523 2.285 30 10 IEEE Cc1ccc(S(=O)(=O)NC(=NOCCCN2CCOCC2)c2ccccn2)c(C)c1 1853556674 CGQQRIJWVMTEDA-UHFFFAOYSA-N 432.546 2.077 30 10 IEEE CCOc1ccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1F 1854362953 UPSMTHBPHSFIJZ-INIZCTEOSA-N 434.445 2.186 30 10 IEEE CC(=O)N1CCCc2cc(S(=O)(=O)NCCC(=O)N(C)c3ccccc3C#N)ccc21 1858018962 SQJRZXWXLBGBSH-UHFFFAOYSA-N 440.525 2.189 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 1861301809 CAMIQIBJINXJPW-QFIPXVFZSA-N 449.482 2.385 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CCCC)cc1=O 1870559896 CBUQNEFZESQEGH-UHFFFAOYSA-N 431.558 2.178 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518161 SFWGCZRAEWALNP-UHFFFAOYSA-N 432.488 2.292 30 10 IEEE C=CCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 1872706870 SDRPOVLYEKGKOY-UHFFFAOYSA-N 434.474 2.120 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCCC3)SCC(=O)N2C(C)C)cc1 1889294356 ZJXONOJYTHCOCI-FCHUYYIVSA-N 429.586 2.304 30 10 IEEE Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC#CCN3CCOCC3)C2)nn1 1889350333 MZVDARMUQXFOFW-OAQYLSRUSA-N 433.556 2.120 30 10 IEEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889403943 MDIMHZDNCQYNRK-CVEARBPZSA-N 425.514 2.350 30 10 IEEE CCOc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OCC 1890308003 KVSDGCYEQDRIMA-UHFFFAOYSA-N 443.588 2.356 30 10 IEEE COCCn1c(C(=O)NCC#CCN(C(C)C)C(C)C)cc2c(=O)n3ccccc3nc21 1890486367 TXBJYBQMCQFPNV-UHFFFAOYSA-N 437.544 2.148 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 1897705944 OSGRHHBWZKPGAK-HOTGVXAUSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1999430178 KNYKKBHXFPGIKR-OKZBNKHCSA-N 438.569 2.439 30 10 IEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085658258 DLGOKJDYBXBGMS-UHFFFAOYSA-N 430.274 2.098 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ccc(C#N)c(Br)c1 2118200597 GYEVTMQUKVPFIO-SFHVURJKSA-N 426.311 2.413 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C1 2141665430 NBLQYPVFALXKMB-JKSUJKDBSA-N 447.341 2.344 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243417541 UJTYFYROFFUBNM-OAHLLOKOSA-N 430.376 2.445 30 10 IEEE C=C(CS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)B1OC(C)(C)C(C)(C)O1 2247963139 UIKYEINRFKSLRY-LJQANCHMSA-N 431.367 2.214 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248432896 BXPMNNDWOMHIRA-CYBMUJFWSA-N 438.359 2.278 30 10 IEEE COc1ccc(C(=O)NCCNOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2255599940 JFYIUCJZKFNXBF-UHFFFAOYSA-N 426.322 2.446 30 10 IEEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255651600 YBOACFSQMBDSGL-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](C)CO)c1B1OC(C)(C)C(C)(C)O1 2255822888 QIQJXFFTEKKITJ-INIZCTEOSA-N 427.354 2.305 30 10 IEEE CC[C@@H](CN(CC)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255833564 FIHBKJCRFJTRCO-AWEZNQCLSA-N 436.362 2.474 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255850537 WJVGIIWBGACVEB-UHFFFAOYSA-N 438.330 2.240 30 10 IEEE Cc1cc(NC(=O)CN(CCO)C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2256613979 KZDIVOLWSWDUPW-UHFFFAOYSA-N 434.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256677955 JEGJXSPSVSPWIL-OSRJUQGESA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C[C@H]2[C@@H]1CO 2266064774 DOEHMQWVHOPBEF-JQHSSLGASA-N 445.369 2.045 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267134494 QHAUMFXZLWDOGU-CQSZACIVSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267136203 IUTFQBRQLMVUPV-IIAWOOMASA-N 446.357 2.227 30 10 IEEE CC(C)[C@@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2267173396 KJJQSWLOGSNGQS-MRXNPFEDSA-N 448.373 2.445 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267178738 GQDIOPKQQVUVFE-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267514537 APUNHMMRFHYTIB-HZPDHXFCSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)OC1(C)C 2267518280 AVIAIHNAADZRRX-HOYKHHGWSA-N 436.365 2.303 30 10 IEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267524891 WRNPGDXGETXCLB-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE CC(C)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267528915 HLRMLTLDJUGMHL-UHFFFAOYSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267551306 KTRWGGSNLDYZGA-GDBMZVCRSA-N 446.357 2.199 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1 2267600125 AYXZMXCNYZSRKD-HSZRJFAPSA-N 448.369 2.300 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)C[C@@H]21 2267808357 XDGLWTHBOBDSCR-ALXJQNPVSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)O 2268630731 OFTJNKCIXGOCLD-QFIPXVFZSA-N 449.357 2.374 30 10 IEEE C[C@H](C#CC(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2302425082 CKKFWZKGZUKOHO-HZPDHXFCSA-N 439.553 2.170 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc[nH]2)cc1OC 2325888134 PPKVBQZJIXRZHL-UHFFFAOYSA-N 428.518 2.258 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccn1C 2330778268 OGVGRNPWPKHJTQ-UHFFFAOYSA-N 436.501 2.076 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(Nc1ccc(C#N)c(Br)c1)C(=O)O 2350877299 IFPZKDGAIYGZLI-CXAGYDPISA-N 426.267 2.480 30 10 IEEE C=CCN1C(=O)N[C@@H](c2cc(OC)cc(OC)c2)C2=C1CN(CCN(CC)CC)C2=O 4345035 PVNWCGVVVXVCIZ-NRFANRHFSA-N 428.533 2.394 30 10 IEEE Cc1ccc(C(=O)NCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1C 31566465 LXMHPOJPMNGRBP-UHFFFAOYSA-N 430.512 2.422 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 59412190 ZSFVBLNBQZJYFL-YLJYHZDGSA-N 437.496 2.316 30 10 IEEE Cc1cccn2c(=O)c3cc(C#N)/c(=N/C(=O)c4cccnc4)n(C[C@@H]4CCCO4)c3nc12 102749037 IEZPKQRQIUHFHV-TYPSIBJGSA-N 440.463 2.144 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCN(C)C)cc1O 170112029 ISXXAFIBTIQJCL-NRFANRHFSA-N 438.480 2.476 30 10 IEEE N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 247661033 SFHPODZBVHDSOP-UHFFFAOYSA-N 438.553 2.382 30 10 IEEE C=CCN(C(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 436911523 UQNYVHJGPMOZKN-BFYDXBDKSA-N 430.534 2.436 30 10 IEEE CCO[C@@H]1C[C@@](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)(C(=O)OC)C1(C)C 440850541 SYCQBWFYNLYTDB-DYESRHJHSA-N 436.530 2.241 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1 446606932 YNEZERGAFYKQGD-HNNXBMFYSA-N 434.468 2.165 30 10 IEEE CC(=O)N(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 467424579 UDCWBNBLANFILN-UHFFFAOYSA-N 441.513 2.079 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)CC2)cc1 481099258 CBCIBBRXJHYNAG-HXUWFJFHSA-N 433.468 2.384 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 485729733 BKHWLZOXZBHDTP-QTJFZDIUSA-N 448.495 2.065 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Oc2cnccn2)CC1 509001013 VJKBCXBMDUEULP-UHFFFAOYSA-N 425.518 2.293 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc3nnc(CC)s3)cc2C1=O 515318952 OBJVVJFXLOFYPG-RYUDHWBXSA-N 441.513 2.276 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 521045216 OVIVXSLUUUDQIN-UHFFFAOYSA-N 433.574 2.452 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 535865730 LJTPMMQRIVVBBH-UHFFFAOYSA-N 442.541 2.362 30 10 IEEE CC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1CC(F)F 537288081 GYFCEWAPTWRWQO-WOJBJXKFSA-N 437.510 2.196 30 10 IEEE Cc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 539097694 NZKXODGBMOQWBW-UHFFFAOYSA-N 439.475 2.409 30 10 IEEE CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543657626 KFJFZABIHJQPEJ-UHFFFAOYSA-N 434.477 2.288 30 10 IEEE COc1ccc([C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c2nccn2C)cc1 545513817 AGNJVFQYPZENEZ-NRFANRHFSA-N 431.500 2.317 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 557562093 CZLMLAOKDOYZMD-UHFFFAOYSA-N 430.921 2.094 30 10 IEEE Cc1ccc(N2CCN(CC(=O)NC3CCC(Oc4nccnc4C#N)CC3)C2=O)cc1 585355325 DDTGQQLHTXEXQM-UHFFFAOYSA-N 434.500 2.405 30 10 IEEE C=CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1cc(OC)ccc1OC 586138965 QIHXKTRFVLVUPP-UHFFFAOYSA-N 430.526 2.465 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604001339 LXUKXUADWZLQMU-UHFFFAOYSA-N 428.517 2.046 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 679533496 QMZQGOMHOOJYNA-HOTGVXAUSA-N 447.532 2.364 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(-c2ccccc2C#N)c1=O 679753471 RSIZBFSHXYDSGO-UHFFFAOYSA-N 443.532 2.249 30 10 IEEE C#CC[C@H](N)C(=O)Nc1cc(I)cc(I)c1 690323278 RNPHPKVSHNXKTL-JTQLQIEISA-N 440.022 2.185 30 10 IEEE C[C@H](C(=O)NC1CCCC1)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 728931034 KUWUCEVUZPIJFG-YLJYHZDGSA-N 446.555 2.289 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccc2)cn1 730144065 HKOMAZPRTSXGEF-SFHVURJKSA-N 441.557 2.290 30 10 IEEE N#C[C@@H]1CN(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CCN1C1CC1 732666389 RJIJORXKCWKXAO-RDGATRHJSA-N 429.524 2.306 30 10 IEEE CCOc1ccccc1C(=O)NCCCC(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734291655 YSAXRQFVZMPMGT-UHFFFAOYSA-N 429.498 2.281 30 10 IEEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)CCN/C(O)=C1\N=CC=CC1=O 741339329 DZUPVHDBRQKNDC-AFUCRDJGSA-N 435.864 2.444 30 10 IEEE N#C[C@H]1C(CN2CCCc3c2cccc3S(N)(=O)=O)=CC(=O)n2c1nc1ccccc12 754660640 QGDAJLXGOKRWDJ-INIZCTEOSA-N 433.493 2.324 30 10 IEEE O=C(O)C[C@H]1COCCN1C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757474247 IBEBTOJLCDPKSQ-KRWDZBQOSA-N 448.475 2.231 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2OC(F)F)c1=O 758050276 PREGNIPVJFOWTD-UHFFFAOYSA-N 444.459 2.025 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cn3c(n2)SCC3)C1=O 767045155 NIJAZINYNJKQCL-HNNXBMFYSA-N 433.534 2.438 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767880501 JOCUINPEUWBZFQ-UHFFFAOYSA-N 440.525 2.056 30 10 IEEE C#CCN(C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 774154604 IXWBBTWMSJIMKM-GXTWGEPZSA-N 429.336 2.351 30 10 IEEE COC(=O)CN1CCN(c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 779916599 VHOIZGJMINTWRU-HSZRJFAPSA-N 444.532 2.182 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1Br 788652434 JJSIIMRDARTWIG-XJKSGUPXSA-N 441.303 2.427 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N3CCC(OC)CC3)CCCC2)n1 788992878 DYQNQMMALFFOQW-UHFFFAOYSA-N 431.581 2.098 30 10 IEEE C[C@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)n1cnc(C#N)n1 798353869 PGDAAGSCUPMHFA-CYBMUJFWSA-N 429.433 2.281 30 10 IEEE CC1(C)SC[C@@H]1N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 802721161 QQMYCTJRIJFBIP-GJZGRUSLSA-N 432.571 2.280 30 10 IEEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 812102804 WZNMJFMKIYQISG-KKSFZXQISA-N 434.541 2.363 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)CCOc3ccccc3F)cc2C1=O 918812684 UWQVWBUZPXPUSP-UHFFFAOYSA-N 440.427 2.302 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084117781 VDLQMMJYUBEMKJ-UHFFFAOYSA-N 443.537 2.345 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c1O 1084167019 MCFWNTJCKZJQNR-CYBMUJFWSA-N 441.517 2.122 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H]1c1ccnn1C 1124505827 XDAMDNBKJLKUDF-PKTZIBPZSA-N 429.480 2.142 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 1130627248 SDTHYXWJGIWSIX-MRXNPFEDSA-N 440.587 2.261 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@H](C)Cc2ccc(C(F)(F)F)cc2)C1=O 1131481327 CLFCXMZBPHXGIW-CYBMUJFWSA-N 425.407 2.462 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 1139145597 KBOPBZXGGRQXLA-LIRRHRJNSA-N 448.361 2.441 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 1142404340 ATXGCCLBDPEGPM-LSDHHAIUSA-N 438.974 2.075 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(OC(F)F)c(Br)c1 1144429100 MAZAGDWJPAYXPI-SQFISAMPSA-N 430.205 2.307 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 1148435160 IQNHDXQMOQFBHE-SNPRPXQTSA-N 425.917 2.066 30 10 IEEE CC(C)n1cc(C2=CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)nn1 1159375031 VPECQNULEQVCQM-UHFFFAOYSA-N 442.545 2.371 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)nn1 1162480801 SQLJJXOBBLGYPH-UHFFFAOYSA-N 437.456 2.369 30 10 IEEE CCCCOc1cc(OCCC)ccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181000851 RCPSLCLVAACJCV-UHFFFAOYSA-N 426.473 2.485 30 10 IEEE CCCCN(O)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1184315266 WYMUEYSSRUTUPJ-UHFFFAOYSA-N 426.276 2.173 30 10 IEEE C#C[C@H](NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)[C@H]1CCCO1 1226724445 JCQGOGWIYAQXLO-TYCQWZJGSA-N 433.574 2.096 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1286325711 YYRXMZBGNPNOIS-SFHVURJKSA-N 441.605 2.374 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1286387007 MDTUHVUCMJRHCS-IAGOWNOFSA-N 431.587 2.253 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286394456 OOKOHEPSYJJNDZ-LJQANCHMSA-N 446.621 2.479 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1286410069 ROYGNWVAEPOFNU-FPOVZHCZSA-N 443.617 2.050 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(OC)nc1 1286461969 ARBXQYDIDJWXEI-UHFFFAOYSA-N 445.483 2.132 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCCS(C)(=O)=O 1286741053 BHVHHHNWYFSBSW-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286817943 QZGJJRRIEFOODH-UHFFFAOYSA-N 437.610 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)Cc1cnn(C)c1 1286821173 CNOKXZQDSSTUGG-UHFFFAOYSA-N 428.562 2.148 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC2CC2)C1 1288981506 CYPWVGCJRODJBH-OAQYLSRUSA-N 428.562 2.219 30 10 IEEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)n1 1290665487 CEBUCYOFMRJYRK-UHFFFAOYSA-N 432.532 2.422 30 10 IEEE CCc1nnc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1292812919 BNHSCBXERWCRSC-VCGVYRDQSA-N 449.559 2.078 30 10 IEEE CN(C)CCOc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1298084211 CCXFVFKDTJXZRJ-WMZHIEFXSA-N 442.539 2.407 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1300381438 RHOXSGROJKZDNO-KRWDZBQOSA-N 438.557 2.467 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCNC(=O)C1CCC1 1300438651 QOMVJBRGGBRJRH-UHFFFAOYSA-N 433.354 2.422 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO1 1300676410 PEYYMCGIYYZRCS-FGTMMUONSA-N 433.553 2.314 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300776433 JMZJGHQFKUGXGO-APWZRJJASA-N 443.548 2.325 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1300777612 ZHFJBKJIZGNAQS-INIZCTEOSA-N 431.537 2.454 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1301296358 GEQLIGGMRICGCS-QAPCUYQASA-N 437.541 2.176 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC)C1CC1 1301327345 QCTJTSYGJOQDMD-KRWDZBQOSA-N 448.568 2.220 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCSC(C)(C)C1 1301520469 XNMQJIROKNULNQ-UHFFFAOYSA-N 431.562 2.500 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1C(C)(C)C 1301970059 BRLFVUPUSNRSFK-AWEZNQCLSA-N 441.565 2.260 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1302968980 BSQLWMMUKDSGLJ-QFIPXVFZSA-N 438.576 2.462 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CC(F)(F)F 1305123490 XLSXDIVCCZTDGT-KGLIPLIRSA-N 436.442 2.111 30 10 IEEE CCc1cnc(CCn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)s1 1305989644 HJVXLCSYKSNKJM-HNNXBMFYSA-N 431.566 2.187 30 10 IEEE CCN(CC)C1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1313696640 VIUIZJWPPHHRGE-QURGRASLSA-N 443.596 2.314 30 10 IEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CCOCC1 1315851769 SPWNDIUXTWGIKV-IBGZPJMESA-N 441.532 2.397 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC(O)CC2)C1 1316532267 NNIAWKWCBMBBRQ-JOCHJYFZSA-N 448.493 2.436 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1348500371 DHNFABTYJUVLFM-UHFFFAOYSA-N 445.472 2.021 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCC(=O)N1CCOCC1 1358897934 JBHAHSZDKLVZDM-GOSISDBHSA-N 425.533 2.126 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1358911607 ZBUNFNMTSUVQRL-KRWDZBQOSA-N 427.578 2.433 30 10 IEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1358923259 HYARCEXODNWPJV-OAQYLSRUSA-N 440.592 2.491 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358962256 MZLNSFUOBRXIQC-CABCVRRESA-N 448.511 2.387 30 10 IEEE C#CCN(c1nnc(CC)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963208 DMCNJMNNYVCVCE-CTNGQTDRSA-N 443.617 2.378 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-c2nc[nH]n2)cc1 1358968234 CZXIPJGOLOQMKX-UHFFFAOYSA-N 430.516 2.103 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1Cc1ccccc1S(=O)(=O)N(C)C 1358973401 QMIYFHWDSLVCPP-UHFFFAOYSA-N 437.525 2.218 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCOCC1 1359050038 DSPHWIPXTJMDPW-UHFFFAOYSA-N 448.618 2.140 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359072295 XBNSJNLLROZMPW-SQJMNOBHSA-N 449.603 2.199 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359083191 DFMMDIPLHRBWNJ-KGLIPLIRSA-N 433.372 2.094 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359091118 JGAYXLBXPCQZQA-QSNWEANLSA-N 449.552 2.014 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1359476490 FXGSMJBLHSYRMN-HNNXBMFYSA-N 433.557 2.300 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)[C@H]1c1nccn1C 1435809788 PIWHQPJMJGZPEG-XIRDDKMYSA-N 436.299 2.396 30 10 IEEE CCOC(=O)Cc1csc(N(CCN(C)C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)n1 1438594711 LFYOIVXEQQCPMH-HNNXBMFYSA-N 430.530 2.482 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccccc1C(=O)NCCC(N)=O 1443091994 RCBHEUGDKJGSRI-UHFFFAOYSA-N 429.274 2.107 30 10 IEEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C(=O)OCC 1449695312 LYYUWSWTHGFIEF-SJORKVTESA-N 431.489 2.468 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCN(CC(=O)NC)CC1 1466816942 QOJIILNTFKGHOM-UHFFFAOYSA-N 425.327 2.346 30 10 IEEE C#CCCN(CCOC)C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1470462901 WPCSRWPAOBAHEZ-UHFFFAOYSA-N 426.844 2.135 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1473615300 ZMKPPLPIRGSQML-KUHUBIRLSA-N 426.439 2.331 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCCCc3ccccc32)c1 1475746339 NFKCEWWPIMSESO-UHFFFAOYSA-N 427.526 2.250 30 10 IEEE C#CC1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)CC1 1475918057 UQLUBSWTTMNJFL-UHFFFAOYSA-N 448.589 2.431 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nnc(C)s2)c1 1492547506 ALCKGZIJFDUEME-KRWDZBQOSA-N 425.518 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507517929 RSKDYOYTWSLUNE-HZPDHXFCSA-N 429.496 2.297 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507755803 ICFDALUZXMLGNL-OALUTQOASA-N 439.585 2.491 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1507795165 CZONBQAXVKLETO-KURKYZTESA-N 433.578 2.291 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507853566 GSPZGAQFJNFHNJ-AWEZNQCLSA-N 438.941 2.081 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1508410928 HCSYZINCNZXCBH-CQSZACIVSA-N 437.953 2.134 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1508415169 AMGGXZRXOJQHFD-HNNXBMFYSA-N 436.520 2.352 30 10 IEEE Cc1cccc(-c2nnc(N3CCS[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511144568 YSMUZULADUIZGL-UDJKBAMHSA-N 439.545 2.117 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1514254821 IDIFZPGHNUXQDS-UXHICEINSA-N 435.525 2.342 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC(F)(F)CO1 1519166322 GPQKXDYOIHFQOJ-OAHLLOKOSA-N 435.431 2.464 30 10 IEEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)Cc2ccc(C#N)nc2)CC1 1533776425 BCUOJSZCQPFOHT-INIZCTEOSA-N 426.542 2.241 30 10 IEEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1534144470 DFKZAEUVHGBRQQ-HNNXBMFYSA-N 432.464 2.261 30 10 IEEE C=CCn1cc2ccc(NC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)cc2n1 1538562465 KKLCPEBSUJDDDW-UHFFFAOYSA-N 442.277 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1539013020 HQUMJEPAFWRBHI-DOTOQJQBSA-N 432.546 2.094 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539215971 MGDCTEJEXKKXJE-HKUYNNGSSA-N 433.622 2.293 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccccc1F 1539361861 HLWMNPWCBBGIHH-UHFFFAOYSA-N 438.463 2.034 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1539461909 MNCONJKBHVZLOP-HKBQPEDESA-N 443.617 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2[C@@H]2C[C@H]2C(C)C)CC1 1539468994 LSAKDRORBTXFIP-YCRNBWNJSA-N 429.565 2.113 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539787090 HXNPHOAPHQCASY-MRXNPFEDSA-N 430.896 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccnn2C)CC1 1540902742 PDKDPOPAGIFEAO-LJQANCHMSA-N 448.593 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1540906796 BSURUBJZFOVWCJ-NRFANRHFSA-N 447.536 2.115 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCn2ccnc2C1 1541806120 FKKJSKXNUHWFSB-HOTGVXAUSA-N 438.561 2.467 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1541969667 WKBIZMZTNWHSPN-PWIZWCRZSA-N 445.495 2.482 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CCCCOc2cccc(C#N)c2)C1 1542639810 OCDUGVGHGZCIQU-LJQANCHMSA-N 429.517 2.367 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)Cc2c(C)cc(C#N)cc2C)ccc1OC 1543596026 SBISXEJVSSOELI-UHFFFAOYSA-N 431.514 2.290 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1543694463 FXJDINXQXGMRJE-UHFFFAOYSA-N 430.258 2.389 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1544487496 ZTEBIAWNIGCZPB-IVZQSRNASA-N 449.504 2.155 30 10 IEEE C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1544944263 YANAJIVNNUMQEL-IJYGLTAASA-N 430.553 2.397 30 10 IEEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1547077615 NMAFKFRTNPIQNJ-VQTJNVASSA-N 438.532 2.495 30 10 IEEE CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1547515031 ORTZLAASDGUADV-LQTLECTNSA-N 436.516 2.335 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccccc2C)CCOC1 1547919069 JDJMGABJHYCBSW-AUSIDOKSSA-N 441.532 2.437 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 1557615665 IGDZIPDPLSHXEQ-KRWDZBQOSA-N 427.309 2.368 30 10 IEEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)CC2)c1 1561180015 GHSPCEUROABRFD-UHFFFAOYSA-N 431.489 2.090 30 10 IEEE C#CC[C@H](NC(=O)c1nnn(Cc2cccc(Br)c2)c1CCC)C(=O)OC 1570221364 LPNWUMGBGGRXCP-HNNXBMFYSA-N 433.306 2.336 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588045901 SZVYDMSILQEHFE-IERDGZPVSA-N 448.976 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588049176 BGZOBJRTUTXTBD-RBUKOAKNSA-N 444.605 2.020 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1588266776 VOULDNYRFLIZCF-INIZCTEOSA-N 433.578 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CSCCS2)CC1 1588930465 WQJGZNYFBPBONV-ROUUACIJSA-N 449.646 2.334 30 10 IEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589367399 TTZLWKNPYKFQNG-INIZCTEOSA-N 426.340 2.197 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1593721779 DZRYKWBKIMBFNI-UHFFFAOYSA-N 426.565 2.184 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1594168929 RACZJPSDOQNRKQ-GOSISDBHSA-N 442.539 2.302 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1594830101 UASQVGVWXXXEDI-IEBWSBKVSA-N 438.536 2.099 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCCCO3)C1 1595665115 PITDUMSBWDJBLC-GOSISDBHSA-N 441.532 2.407 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)N2CCOCC2)CCOC1 1610337316 QXIVZVZSSIJIKZ-XMSQKQJNSA-N 434.585 2.168 30 10 IEEE Cc1nc(C)c(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1612381088 AVPRWEHAGNFGEQ-LAUBAEHRSA-N 446.577 2.364 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1615135277 NPVYPFQOCANNCY-YZGWKJHDSA-N 438.532 2.068 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)c1 1616998095 LSXMNLGCHVAYNX-MRXNPFEDSA-N 431.436 2.251 30 10 IEEE COCCN(C)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1619878925 BGQIGIJICPPTBX-UHFFFAOYSA-N 448.575 2.060 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1620067227 GLPWTDSJSFTGOL-QHCPKHFHSA-N 441.532 2.256 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1620296502 QIWOWQGLHVDXOV-QGZVFWFLSA-N 441.561 2.038 30 10 IEEE NC(=O)[C@@](O)(CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1620633717 YVMPQVYTEQRIOG-NTZNESFSSA-N 432.311 2.462 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)nn1 1622927376 NYPNYIJTJHXCNL-CLCOLTQESA-N 445.549 2.379 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1625622270 FJTQSDSMTVWWRG-CLCXKQKWSA-N 447.557 2.427 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(F)cc(N3CCOCC3)c2)s1 1626072722 NWUPFHHFZUDVKX-UHFFFAOYSA-N 439.534 2.369 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)C(=O)OC 1626188300 VHROESAPZCERQC-LJQANCHMSA-N 448.928 2.455 30 10 IEEE CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H](C)CS(C)(=O)=O 1629136097 ZDFVZOAASVDZEJ-LBPRGKRZSA-N 428.352 2.039 30 10 IEEE COC(=O)C[C@H](NC(=O)COc1ccc(C#N)cc1OC)c1ccc(OC)cc1OC 1630629852 GEXNEXOWGPZPJD-KRWDZBQOSA-N 428.441 2.383 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1 1631739399 IRACWJLJJLNXOX-UHFFFAOYSA-N 435.523 2.159 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 1632219509 XUYKYJVEXDSGFD-OAQYLSRUSA-N 427.526 2.124 30 10 IEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1 1632876486 KBVDBTITGCHPDM-GOSISDBHSA-N 439.415 2.459 30 10 IEEE CCO[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H]1Oc1ccccc1 1633620271 IPMLJRAQDKMWRS-ZCNNSNEGSA-N 432.473 2.478 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1635972056 ULYMJSZRELMTTR-YJBOKZPZSA-N 435.546 2.265 30 10 IEEE Cc1ccc(N(CCC(=O)N[C@@H]2CCCN(O)C2=O)S(=O)(=O)c2ccccc2)cc1 1636545875 AHKHLXCJFFCDCK-LJQANCHMSA-N 431.514 2.077 30 10 IEEE Cc1cc(N2C[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)ccc1F 1639054236 CGWGKBCLWTVDLW-HNNXBMFYSA-N 439.443 2.391 30 10 IEEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)nn1 1639557713 UZXXTDDPBQMVMH-UHFFFAOYSA-N 427.486 2.204 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1642103372 XHFWQZKMBCKFAC-DLBZAZTESA-N 427.309 2.123 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)C1 1645275016 YVYISKWKCPJBEV-SFHVURJKSA-N 431.583 2.097 30 10 IEEE COc1ccc(CN2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2=O)cc1 1658129490 FTICIUSGOMOHEM-UHFFFAOYSA-N 431.492 2.029 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccccc1 1675617588 LJDILGFZTOPWMW-IBGZPJMESA-N 442.541 2.270 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2)c1 1677685178 BYJFZQLIWCANQP-QHCPKHFHSA-N 425.577 2.465 30 10 IEEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C2 1682170326 LWHAIOMXZNRBJX-ACRUOGEOSA-N 427.549 2.498 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1686761979 FAFPTFINDNXISN-KRWDZBQOSA-N 448.511 2.334 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1689885676 QYQRZVFUVNZBMM-UHFFFAOYSA-N 433.476 2.168 30 10 IEEE C#CCN(c1nnc(C)n1CC(C)(C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1689980660 VWFOXDSMTYEMFE-NRFANRHFSA-N 441.601 2.050 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccoc1 1690025078 DDSBEVAQUSVSSO-UHFFFAOYSA-N 428.540 2.357 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)NC(C)(C)C)CC1 1690120234 MRSYTQFISRSYGO-UHFFFAOYSA-N 447.587 2.497 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCCCC2)CC1 1690142078 HQGHAHZFIVLABY-FQEVSTJZSA-N 449.603 2.428 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690316424 DJZLFGMBQDXUBB-UHFFFAOYSA-N 448.568 2.050 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690358758 KALSMNIPLRDPTK-NRFANRHFSA-N 439.988 2.372 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1691011567 ZVDUTTJZTVPYCO-CRAIPNDOSA-N 433.534 2.208 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H](C)O1 1693835575 TZZFGMIMLGMUON-MDZRGWNJSA-N 438.532 2.257 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1694212426 CAZBRBQFLTVGEG-JXFKEZNVSA-N 437.548 2.226 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1CN(C(=O)OC(C)(C)C)C1 1705611436 DAOQAUDIYNYLRK-UHFFFAOYSA-N 442.520 2.332 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(Cl)cc1 1705627726 OGRUXNMTZSCTFF-YJBOKZPZSA-N 431.924 2.436 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)CC1 1705780814 HGNYQQXBVLNSEN-FOIQADDNSA-N 425.599 2.232 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1705903052 PEUWBQKXCBMDHA-SJORKVTESA-N 445.568 2.291 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1Nc1ccn(C)n1 1705906765 OBPWEZJETCUNBX-UHFFFAOYSA-N 446.309 2.399 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(C(C)C)CC1 1705906977 WKTVALVCBCTIGN-UHFFFAOYSA-N 426.565 2.388 30 10 IEEE CC(C)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1/N=CC=CC1=O 1706278894 WSTICUBCGQQEPI-BSBNDGSWSA-N 438.536 2.175 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1711325935 WECVNSAEYYQMTM-QHCPKHFHSA-N 445.483 2.204 30 10 IEEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(F)(F)CO1 1712887162 WDUSGTBUASZZEY-HNNXBMFYSA-N 431.447 2.480 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1722315113 IWUFZIQUWDTSFF-HXUWFJFHSA-N 434.544 2.304 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722320306 VQOCIRPJKZAQIN-IBGZPJMESA-N 437.548 2.144 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(F)F 1722355588 ZAAXTJGEZMBKGD-AWEZNQCLSA-N 429.468 2.285 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722484706 WNUNGVGCMPMANU-AWEZNQCLSA-N 447.399 2.484 30 10 IEEE C=CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722611213 UEWIVGYOESIKNC-YLJYHZDGSA-N 426.583 2.298 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722612758 VJPRUGZASMMROD-UHFFFAOYSA-N 429.912 2.480 30 10 IEEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1722623268 ZWKWQZGHRVWNGQ-KRWDZBQOSA-N 425.541 2.147 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722623416 USNMGBWCZZPDFL-WMZHIEFXSA-N 447.580 2.113 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722669235 BRGBSOROMZLBAT-KRWDZBQOSA-N 431.562 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722696885 TYYIODADWGLWNT-CJNGLKHVSA-N 434.338 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722697737 OCRIITWIRZTZKI-LJQANCHMSA-N 440.454 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC([C@H]2CCCO2)CC1 1722725267 HRGZUQLNRPTDHJ-LJQANCHMSA-N 433.578 2.280 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1722869951 SBPNXGMPRALWHJ-IAGOWNOFSA-N 448.568 2.487 30 10 IEEE CC(C)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723524161 XYVQEYVVKKMGHW-INIZCTEOSA-N 425.537 2.047 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)(F)F 1729556221 AOAJNCKBVUWLGD-UHFFFAOYSA-N 431.440 2.224 30 10 IEEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1730668054 IFDNAKWZSRELTD-IBGZPJMESA-N 437.548 2.244 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1730763629 XPMKSNZVUGRPIE-FQEVSTJZSA-N 446.596 2.184 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1740532964 NKTGTYDOSWDJHJ-ULQDDVLXSA-N 448.568 2.012 30 10 IEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740616198 VTZVTUJWRGQEEB-QGZVFWFLSA-N 435.594 2.013 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740619888 MCJRCLXIULXUET-YCRNBWNJSA-N 442.585 2.431 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCN(C)C1 1740641925 PNKTUAQWFIDAJO-RUZDIDTESA-N 435.572 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCC(C)CC1 1740688351 PIFMGENMBWSZDS-NRFANRHFSA-N 427.597 2.346 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)c(OC)c2)CC1 1740695056 BVERFWXCBPCXLA-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740847423 ILYCPZMQSDRNHV-MOPGFXCFSA-N 429.613 2.048 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C)C1CC1 1740910234 LSHOHOKVXBHFRF-LJQANCHMSA-N 431.562 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740992452 QLIXAIVLGFMBNC-JKSUJKDBSA-N 430.521 2.254 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1CCOCC1 1740999023 WJOMBYDSICRMJU-UHFFFAOYSA-N 431.562 2.361 30 10 IEEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)CCOCC1 1744292531 AAJTUMGAOUTYPL-UHFFFAOYSA-N 437.548 2.485 30 10 IEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1746912868 AXYJEEPMNHEXNE-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC[S@@](=O)CC 1748940453 LVCUWQLHIPXTQC-PMERELPUSA-N 431.537 2.062 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2c(C)nn(C)c2C)CC1 1748999208 LYHAZVOGCIXUBL-UHFFFAOYSA-N 433.560 2.319 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCn2nc(C)nc2C1 1749037603 GKUZBTPDYFNGGT-UHFFFAOYSA-N 429.500 2.434 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749207125 COWQLSDMNFUGGA-XMMPIXPASA-N 439.560 2.398 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749240015 SCJRQDGKAPTINV-RBUKOAKNSA-N 439.472 2.436 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1749303775 OWRLKWMTMKKQBY-QGZVFWFLSA-N 432.546 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C 1749729217 DYQAOJKRYMWMAK-KRWDZBQOSA-N 445.524 2.155 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1750380958 DBRQMRWXLXNYNO-YLJYHZDGSA-N 428.493 2.226 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1750901287 AQAWIJLLDMFIMP-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1751474907 LUIXAXCQLBJHJL-BSBNDGSWSA-N 440.504 2.378 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1760116091 FJBJDOCLYYVXPS-RTBURBONSA-N 442.585 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1760117656 RVQPKCDXCFLLSM-FCEWJHQRSA-N 430.530 2.216 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760132630 LMTIYZPYIGLCST-ROUUACIJSA-N 444.513 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCN(C(C)C)CC1 1760199401 XXQNPVWYJAYWKB-UHFFFAOYSA-N 426.952 2.302 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ncnn2C(C)(C)C)CC1 1760262660 VHVVSFUHRTVYAB-UHFFFAOYSA-N 432.576 2.327 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CC(N)=O 1760272152 AHCCWWACRBQOND-MRXNPFEDSA-N 428.562 2.214 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1760288498 DRLGPOUBNRUFFZ-VBKZILBWSA-N 435.525 2.076 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1760289865 SPXOLQXJJVVHHG-XGHQBKJUSA-N 436.626 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760321218 CSOXFQWGQRFQBN-REWPJTCUSA-N 444.624 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1760321664 IUWDUTNHAFRLNC-NCOADZHNSA-N 426.608 2.103 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCNS(C)(=O)=O 1760479996 HHPUUJQOSNDKDJ-LJQANCHMSA-N 444.561 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1760519708 MRYWSOJYLLRTPL-KRWDZBQOSA-N 435.513 2.153 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@H]2CC)C1 1760549742 LQQFBWIALPHFER-UXHICEINSA-N 430.597 2.446 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1761619734 PHKUBKZZLLIWQJ-SFHVURJKSA-N 433.472 2.343 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1763096382 UXNMNCJYSIXJLO-SFHVURJKSA-N 425.512 2.093 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1766540943 SYPWFELOKCLJDT-ZWKOTPCHSA-N 427.461 2.269 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 1769846652 BJQDPPRCEJPOIV-JKSUJKDBSA-N 430.475 2.380 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1770932800 AGGCHMSXULJLSR-GCJKJVERSA-N 427.505 2.007 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)COC)CCO1 1770960174 FKINWZVUBAAAOF-IBGZPJMESA-N 429.521 2.253 30 10 IEEE COCCN(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1771082934 ICVLSYDJPHAZQZ-FQEVSTJZSA-N 426.521 2.109 30 10 IEEE COCCOCCCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771264979 AKTQRVPTVODMPB-LJQANCHMSA-N 442.520 2.108 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1 1772660296 VDGGWXRTRJBGBC-UHFFFAOYSA-N 429.546 2.280 30 10 IEEE CC[C@@H](C)[C@H](CC(=O)N1CCN(c2nccc(C#N)n2)CC1)N1Cc2ccccc2C1=O 1851176742 XORGSMVPUYEKAJ-UTKZUKDTSA-N 432.528 2.458 30 10 IEEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)cn1 1851952012 QOLOIBMQJWABJM-UHFFFAOYSA-N 435.875 2.222 30 10 IEEE CN1CC[C@@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccc(F)cc2)C1 1852536464 IXNHVRTZJOKVFI-YLJYHZDGSA-N 446.500 2.414 30 10 IEEE N#Cc1ccc([C@H](CC(=O)N[C@H]2CCc3nncn3C2)N2Cc3ccccc3C2=O)cc1 1852618777 ASRMDXZXXWWSMX-FPOVZHCZSA-N 426.480 2.368 30 10 IEEE Cc1ccc(-n2cc(C(=O)O[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)nn2)cc1 1852872974 KRZBIDJBUVYOHG-QFIPXVFZSA-N 447.495 2.384 30 10 IEEE COc1ccc(-n2cc(CN3CCN(C(=O)c4cccc(C#N)c4F)CC3)nn2)cc1F 1853184529 FJIZXNSEEMUCMI-UHFFFAOYSA-N 438.438 2.384 30 10 IEEE CO[C@H](CN1CCN(c2nccc(C#N)n2)CC1)c1ccccc1I 1853401868 KMDUGKWNFIEGGF-QGZVFWFLSA-N 449.296 2.463 30 10 IEEE Cn1nncc1CN(CCN1CCc2ccccc2C1)C(=O)c1ccccc1OCC#N 1853531153 OURRPYLNWURSNC-UHFFFAOYSA-N 430.512 2.418 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)C3)C2)cc1 1854214279 HBAXVWZHNVROCB-IRXDYDNUSA-N 426.414 2.094 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1 1856276153 JHGFOGUFNKXGAZ-HNNXBMFYSA-N 427.482 2.019 30 10 IEEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@@H]1C 1856826331 IBLANLUGOQFCDG-HNNXBMFYSA-N 427.482 2.019 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1OC 1862601872 OZCMMHKISQZYEX-BLVKFPJESA-N 443.452 2.377 30 10 IEEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OCC)cc2)C1=O 1863206071 IHKUQUIPEUSNAV-UHFFFAOYSA-N 427.482 2.111 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(CC)nn2C 1865226290 VSRYPACXZJXZOB-GOSISDBHSA-N 426.517 2.083 30 10 IEEE C#CCOc1cn(CCN(C)C)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870563768 OLJOEKVNWIGGJX-UHFFFAOYSA-N 428.964 2.398 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(F)cc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873594022 LFGJMIWGBCMHCD-UHFFFAOYSA-N 436.491 2.388 30 10 IEEE Cc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874361113 DIXBILWFWDHUBP-SSDVNMTOSA-N 440.485 2.445 30 10 IEEE C[C@H](C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1)N(c1ccccc1)S(C)(=O)=O 1892167395 QTCIHTCAWSKZBA-MJGOQNOKSA-N 442.541 2.425 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CO1 1908261941 BCQWGBLOBOEUAW-HOJAQTOUSA-N 428.533 2.247 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 2023130742 YYJPNEIKLPRRDW-NRFANRHFSA-N 439.553 2.478 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625459 KJKKTLDNGCWPCS-ZFWWWQNUSA-N 432.330 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2060636506 YQMBMWUDVBQWNL-HUUCEWRRSA-N 442.337 2.391 30 10 IEEE CC(C)(C)OC(=O)Nc1ncc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)o1 2060641135 DLYVXDVABFYMAP-UHFFFAOYSA-N 431.258 2.363 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124516444 RVDQEXNRZXVWKK-SFHVURJKSA-N 446.353 2.238 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccnc(C#N)c1 2195261581 YXUQEWSYJOCBDW-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2247845856 WPMRGZBTQLVHQO-ZIAGYGMSSA-N 435.355 2.276 30 10 IEEE CC1(C)OB(c2ccnc(NC[C@@H]3CNCCN3Cc3ccccc3)c2F)OC1(C)C 2254793136 OUCAOHHZGNNTJI-SFHVURJKSA-N 426.345 2.406 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)C1 2255157360 YPKZASNWZOJWPW-GBXAEXGJSA-N 449.548 2.140 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256677357 WMSKKIQVFKKEQQ-INIZCTEOSA-N 438.305 2.339 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2257587135 JIZUMOSGTJPLBF-CQSZACIVSA-N 439.337 2.232 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267140335 BMGGTWCHFUJXTG-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2267151084 GPXUEUXNHYMNKJ-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CCN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267174117 CHNHDINFWUDRBE-INIZCTEOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2267267484 KJHMOPGPCNMFRZ-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267271930 WCGFNOJCPHQUFS-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267274122 VVNMCIHIOINEEC-CABCVRRESA-N 446.357 2.246 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267283878 VHWGACAWEUYJAU-RHSMWYFYSA-N 449.357 2.068 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]21 2267518304 CXUHFOCTADJORZ-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE Cc1nn(C)c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267521110 QHZMJHCQKFIAMK-XMMPIXPASA-N 438.381 2.422 30 10 IEEE C[C@@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268639937 DMKITVUPWCRWDY-MRXNPFEDSA-N 448.369 2.392 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C)C[C@H](O)COCc1ccccc1 2269704604 JBSRVVGRKIZJIF-FQEVSTJZSA-N 440.349 2.339 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2282173746 LRIHUXRTXVQXPO-PMACEKPBSA-N 448.376 2.370 30 10 IEEE COc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Cl)c1O 2322614724 YQRBQUDPMDEYAF-JTQLQIEISA-N 447.300 2.070 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2334264686 FRALMRCMMIEVQZ-QILLFSRXSA-N 445.369 2.452 30 10 IEEE Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)n1N 20291960 KEHRDQOQQAABSW-KEBDBYFISA-N 426.462 2.385 30 10 IEEE COc1ccc(CN2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)c(OC)c1OC 29631715 BCPOIKPUWCEHKJ-FQEVSTJZSA-N 441.528 2.142 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCn3cc(C)cn3)nnc12 109856531 FPWWXQHWUPTSAL-UHFFFAOYSA-N 437.529 2.034 30 10 IEEE CC(=O)/N=C1\N(/C=C2\C(=O)Oc3ccccc3C2=O)C(=O)/C(=C\c2cccc(O)c2)N1C 261493148 NFKRDXYTQSFYTB-JLIVZIOVSA-N 431.404 2.095 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 460932360 NTAXFPCRLGJZLB-SJORKVTESA-N 443.639 2.299 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 508850926 XDCNTGMKKSCASY-UHFFFAOYSA-N 447.547 2.336 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 508937093 VQTFXLAOFFRNAR-CJNGLKHVSA-N 425.942 2.306 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2C)nn1 521847553 MDEXNRGPYOCOCK-UHFFFAOYSA-N 433.516 2.445 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)CC2)o1 526983689 SFRBHDZUEAKZER-HOTGVXAUSA-N 438.532 2.396 30 10 IEEE Cn1ccnc1CN1CCC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 531117141 KNBJVKXRDSMLGN-UHFFFAOYSA-N 449.515 2.101 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)NCc3cccc(OCC(F)(F)F)c3)CC2)n1 544882399 VFXPYEPZOSXLEY-UHFFFAOYSA-N 433.434 2.333 30 10 IEEE CN1CCN(c2ccnc(-c3noc(-c4ccc(-n5ncc(C#N)c5N)cc4)n3)c2)CC1 545095711 RRHPYSRKDXDDJF-UHFFFAOYSA-N 427.472 2.190 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)n1 553164557 VPLUDVWVKKIWHT-JLSDUUJJSA-N 426.908 2.393 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 578455627 RJNVBFHRJDBTCA-PMACEKPBSA-N 445.589 2.489 30 10 IEEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1 585827464 APNPSVMNDDYDSM-RIEPFFCSSA-N 435.524 2.334 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 605411365 IOTNEVCLQKDDRK-UHFFFAOYSA-N 427.549 2.010 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 685549755 NYKJQSFRBZMFPJ-HZPDHXFCSA-N 435.532 2.341 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1 730339329 HIYLJKBLPUZVBI-ZGOJQLDESA-N 435.546 2.463 30 10 IEEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1 730715024 ADPDKHYLOKQMAW-GOSISDBHSA-N 445.545 2.273 30 10 IEEE CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 731727894 FFITTYJUQFQBRH-UHFFFAOYSA-N 427.548 2.088 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732702037 XPFCMYMCKIXTHQ-LPHOPBHVSA-N 433.578 2.160 30 10 IEEE CN(CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@@H]1CCN(c2ccccc2F)C1=O 732797928 JQOYQAPFDWIYSL-HXUWFJFHSA-N 435.459 2.156 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)n(Cc2ccco2)c1C 740397927 KXGJXJCHJRSPKM-ALOPSCKCSA-N 439.468 2.341 30 10 IEEE CC[S@@](=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 741423334 DJUKKTXFBLDNMG-LXOAICFUSA-N 428.580 2.170 30 10 IEEE COc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C#N 747402292 ABPZDRVKOOVLHO-UHFFFAOYSA-N 441.919 2.368 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 753502658 KJNPWAHFKFXHBH-MLGOLLRUSA-N 444.315 2.310 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 769195819 CMDIDHACSOUKNY-LFVOPCPISA-N 440.500 2.164 30 10 IEEE Cc1cccc(N2CCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 780176902 QSUNGOWOUIMXDV-HSZRJFAPSA-N 429.517 2.449 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 780477373 VUKUOLBJUWCKBR-JOCHJYFZSA-N 438.569 2.259 30 10 IEEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 782814963 BBHIUDFTBCILHK-DGCLKSJQSA-N 430.452 2.130 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)n1 788330982 KCXLWMVQXXLJPS-GOSISDBHSA-N 434.418 2.316 30 10 IEEE CC(C)(C)OC(=O)CSCC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790865455 YFORUISBSWKFKD-UHFFFAOYSA-N 438.449 2.457 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](CC)O[C@]2(CCOC2)C1 794299547 MSCBNBXZJSRPRY-SGXKBVARSA-N 449.573 2.080 30 10 IEEE COCCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 802490144 YBJLPHBJIHRZRM-HXUWFJFHSA-N 431.500 2.194 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)cc1 804508536 WBJJOZCNQHHZLB-QFIPXVFZSA-N 426.538 2.492 30 10 IEEE NS(=O)(=O)c1ccc(C=NNC(=S)NCc2ccc(F)cc2)cc1Br 807960207 BQICJNDYDVWMAC-UHFFFAOYSA-N 445.339 2.234 30 10 IEEE CC(C)[C@@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)N1CCOCC1 925054955 RTBHJPKZXTUPKA-OAHLLOKOSA-N 447.435 2.196 30 10 IEEE CCOC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084028594 WFOWDJVXYFUBTP-UHFFFAOYSA-N 428.522 2.466 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCCN1C(=O)OC(C)(C)C 1130218766 IHQADROESXMENI-AOMKIAJQSA-N 448.541 2.131 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H]1CCOC[C@@H]1OC 1133127215 MFMDRBOJLITOSA-HOCLYGCPSA-N 427.295 2.361 30 10 IEEE C#CCOCCNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1137796188 YRTTYYFUKDJGLJ-FQEVSTJZSA-N 426.517 2.133 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1144923821 XCRUBHFXARWCLV-CLOONOSVSA-N 431.492 2.056 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)c1 1157071514 KMJYVJQHTNHHFD-ZIAGYGMSSA-N 448.570 2.291 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 1157326963 LGQQKBXAXCCMRZ-ZBFHGGJFSA-N 426.945 2.193 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1165728321 NCKAEMZCSAVFAV-KGLIPLIRSA-N 428.411 2.188 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4cccc(C#N)c4[N+](=O)[O-])C3)[C@@H]2C1 1187422312 GYALWWQFFJQWLP-UAGQMJEPSA-N 443.460 2.485 30 10 IEEE CN(CCOCCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(=O)OC(C)(C)C 1231233834 WKBCRQPMEWMYDD-UHFFFAOYSA-N 449.527 2.412 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1286278484 OCQGRHMOKIDQFL-JKSUJKDBSA-N 447.609 2.067 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(CC)CC)no1 1286408562 DBJQTISGLILYMF-QGZVFWFLSA-N 429.546 2.193 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1286436898 AIDPBGMYNSNXEX-NZQKXSOJSA-N 433.597 2.135 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN(CC)C(=O)OC(C)(C)C 1286459926 WXJALZMBCLCEOG-UHFFFAOYSA-N 431.541 2.022 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286464805 FFPZMAXDSFPHJP-VAMGGRTRSA-N 433.597 2.146 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2sccc2C)CC1 1286470094 SLSKHCKDJRMXHR-UHFFFAOYSA-N 435.557 2.293 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286481197 SSRCQQQCRCYRBK-GOSISDBHSA-N 432.569 2.142 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1286701072 VBTGMMHXBWAVID-KSFYIVLOSA-N 448.568 2.254 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@H](C)O1 1291279117 IRXHRSWGFGRBMZ-ROUUACIJSA-N 441.532 2.274 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccnc3[nH]nnc23)cc1 1291833064 VPHHYNAJYOISEH-LFVJCYFKSA-N 427.490 2.198 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccsc1 1298198147 FTBSWZGGTARMCQ-UHFFFAOYSA-N 436.541 2.416 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 1300408544 LEZNFMVQSNSAEG-KRWDZBQOSA-N 435.594 2.375 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(Oc2cccc(Cl)c2Cl)C1 1300418318 DFWMTIGTXQEIGR-UHFFFAOYSA-N 440.308 2.322 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1nc2cc(OC)ccc2n1C 1300545897 YPIFXOIFYAOSKL-UHFFFAOYSA-N 442.527 2.156 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1 1300579016 RCHCGEFREWWOQU-LJQANCHMSA-N 432.590 2.240 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1300805884 KGUYCEWLQKVJHV-DENIHFKCSA-N 433.622 2.294 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@H](C)C1 1300901029 VQLCHYKWBZNQLQ-KSZLIROESA-N 426.631 2.411 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)CCO1 1301404167 CWXCZBKXSJOAQM-IBGZPJMESA-N 438.488 2.234 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(F)c(F)c1F 1302100264 XSCJKYCSHWBUCU-ZFWWWQNUSA-N 439.438 2.391 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)cc1C#N 1302136262 CTFWTLPQGXQVNW-UHFFFAOYSA-N 433.253 2.224 30 10 IEEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1302474466 BFJMSFHMTCSDKO-RUCARUNLSA-N 446.552 2.427 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1 1306015646 WSWJDUZUBNUNDH-SJORKVTESA-N 441.525 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3cccc(C#N)c3F)CC2)CC1 1307946008 LNGFJSDAVHHNOF-UHFFFAOYSA-N 431.512 2.488 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@H](O)c4ccc(C#N)cc4)C3)[C@@H]2C1 1308028466 LWIFMLPUXLVALB-ZRNYENFQSA-N 442.516 2.106 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CCO2)cc1 1308114958 RWZVUAQXSCSEGR-RTWAWAEBSA-N 435.553 2.402 30 10 IEEE C=CCN1C(=O)N(Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C(=O)[C@@H]1Cc1ccccc1 1320761432 DVCHUMWANPEWAH-YADARESESA-N 432.480 2.303 30 10 IEEE Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cccc1N1C(=O)N[C@H](C)C1=O 1324208148 LBWAGXMTSWQLDY-GDBMZVCRSA-N 431.452 2.303 30 10 IEEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C1 1342228617 LYJRMSHUZJRJIO-KSZLIROESA-N 442.603 2.319 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CN3CCC[C@@H](C(=O)OC)C3=O)c2)c1 1354498908 IISCXKBOIKRZPP-OAQYLSRUSA-N 448.475 2.223 30 10 IEEE Cc1cnc2nc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4C)cc3)nn2c1 1355382158 HTROGPLDZYSSCQ-KOEQRZSOSA-N 441.517 2.278 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(N3CCOCC3)c(C)c2)c1 1355995371 DVSYSKKLWUMVQK-UHFFFAOYSA-N 447.535 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1358888012 GIXVJYIRXJUDGG-XLIONFOSSA-N 425.533 2.493 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)NCC)c2)CC1 1359034860 FDICRUQWFDSGPQ-NRFANRHFSA-N 436.560 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC)C(C)(C)C)CC1 1359043161 JINWGCCQLCNIKP-LJQANCHMSA-N 426.565 2.311 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCSCC)CC1 1359046138 GJYSOTOKTATLRY-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359057902 MESUBZFYPYGETL-IBGZPJMESA-N 446.665 2.366 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1359071729 AQKOSSWGRRZWSD-VGOFRKELSA-N 442.589 2.121 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)OC)C1 1359106497 GGJIEJDXGLEVAR-DEPCRRQNSA-N 448.564 2.373 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359132135 OJBAHLUFXZJUFX-SJORKVTESA-N 448.568 2.315 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2F)CC1 1359165829 YBFCEIFMTHRSJU-IBGZPJMESA-N 449.552 2.263 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1359298019 JYLSFHBYVXCFQY-QGZVFWFLSA-N 425.493 2.062 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@](C)(O)c2ccccc2)C1 1359324371 JSEOGMYKJXJMCY-HYBUGGRVSA-N 439.560 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1359330020 DABSRTBUYMWAMH-LJQANCHMSA-N 446.621 2.197 30 10 IEEE CC(C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1359981494 YHOYEVNIQPEMPW-QURGRASLSA-N 448.531 2.135 30 10 IEEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1360535555 FGZKMURLJVNBMZ-KKSFZXQISA-N 430.578 2.429 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1360819402 VCXFXAAKORULJY-SFHVURJKSA-N 429.546 2.113 30 10 IEEE C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1446509298 CGZRKGDEANRACR-HNNXBMFYSA-N 430.505 2.473 30 10 IEEE Cc1nc([C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2cnn(C)c2)no1 1450348264 GBSAZKWTTYTUFA-INIZCTEOSA-N 431.250 2.030 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC 1454717283 ZUUMSSMFWGATMQ-LBPRGKRZSA-N 443.736 2.462 30 10 IEEE C#CCN(C(=O)[C@H]1CCc2nnc(O)n2C1)[C@@H]1CCOc2ccc(Br)cc21 1465180051 VAIYPZUKZSLWCA-SWLSCSKDSA-N 431.290 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 1465424757 IMGIJYJEPCSQGS-RUZDIDTESA-N 441.572 2.390 30 10 IEEE O=C(Cc1cccc(F)c1)N1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1473218681 VQAUJGLBJWNUHP-UHFFFAOYSA-N 433.483 2.202 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 1473642930 KZLZLWQNYQWIOV-IBGZPJMESA-N 437.521 2.192 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCC2)cc1 1504312214 BMIREKSVDFIOBU-LJQANCHMSA-N 426.521 2.079 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1507620693 JFYNFGBZLXQCBN-UHFFFAOYSA-N 434.544 2.144 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1507628375 NYCNMQRXQKKNNS-KRWDZBQOSA-N 428.514 2.355 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507631574 FMZOXADJVKFODO-LEWJYISDSA-N 442.585 2.464 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1c(OC)cc(OC)cc1OC 1507646436 OYZGTHCZBUDWTG-UHFFFAOYSA-N 434.500 2.020 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCC(=O)N1CCOCC1 1507656433 WGILYISNNLWIMI-UHFFFAOYSA-N 437.569 2.201 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(F)(F)F 1507657754 ZWSAWTKEAPFIRO-UHFFFAOYSA-N 430.478 2.278 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1CCCO 1507664129 HGHLWDAJOUERSD-LJQANCHMSA-N 426.952 2.303 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1507687015 KFAXNISQYGCMPM-UHFFFAOYSA-N 434.500 2.124 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2CC)CC1 1507715619 FDXRWTRYBQSPNX-UHFFFAOYSA-N 429.528 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1507733888 CUJMMMKNYJMMGT-HXUWFJFHSA-N 445.571 2.124 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1507754177 MAGDIZWNVRMLEY-FQEVSTJZSA-N 438.601 2.226 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507757725 XOUAYAGOJZQRCW-WBVHZDCISA-N 445.520 2.297 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCOCC1 1507840290 LFKWVDRMBJHNBL-UHFFFAOYSA-N 438.536 2.376 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1507924963 WIBAMSGFHJOVPM-NJYVYQBISA-N 439.560 2.483 30 10 IEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507948181 OIVVKMVBTUZTGR-GIVPXCGWSA-N 430.597 2.475 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCOC2(CCCC2)C1 1508095693 RIMABGZPJVPSNJ-UHFFFAOYSA-N 425.533 2.351 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1NC(=O)CC1(C)C 1511885629 IVYNTYANNYKUMK-GOSISDBHSA-N 427.940 2.353 30 10 IEEE CCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1514243367 HRECLUVTYAYKNP-AVRDEDQJSA-N 426.521 2.427 30 10 IEEE N#Cc1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nc1Cl 1525420213 GCILLVUXXDVRJC-INIZCTEOSA-N 430.867 2.193 30 10 IEEE CC(C)N1CC[C@@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@H](c2cnn(C)c2)C1 1528123089 MXUFGKSGGAIJES-UXHICEINSA-N 432.532 2.384 30 10 IEEE Cc1nc(=NC(=O)c2ccc(I)cn2)n(-c2ccc(C#N)cc2)[nH]1 1532531716 HAWXEYCDBDBQHI-UHFFFAOYSA-N 430.209 2.121 30 10 IEEE Cc1c(C#N)cccc1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1532806149 DBJTUKIBVLMHAY-UHFFFAOYSA-N 441.532 2.297 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1536351816 FJXKHQQILYTEIP-HXUWFJFHSA-N 439.537 2.251 30 10 IEEE N#Cc1c(NC(=O)c2cc(F)c(F)cc2I)nc2n1CCOC2 1537679393 LUQWCTKYALXNNN-UHFFFAOYSA-N 430.152 2.420 30 10 IEEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCc2ccc(C#N)cc2)C1=O 1538896042 OHUFQNFCDAUAMQ-NRFANRHFSA-N 428.851 2.477 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCCN1CCC(O)CC1 1539032128 TUXIYONWSKVQKA-GOSISDBHSA-N 427.549 2.170 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)c1ccc(F)cc1 1539284582 RNVMXPVVACANQE-NYDSKATKSA-N 426.492 2.122 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1539305207 SYKDVDNPRXKIRG-FQEVSTJZSA-N 426.542 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 1540549913 BNSJLDATHQYMFP-XXBNENTESA-N 428.533 2.157 30 10 IEEE N#Cc1c(CCCNC(=O)c2cccc(C(=O)N3CCCC3)n2)nn(-c2ccccc2)c1N 1540797148 NIKLEKCPWYFUSD-UHFFFAOYSA-N 443.511 2.320 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1540871328 JESCQTFKEQEHTL-QGZVFWFLSA-N 434.585 2.472 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCOC)C1 1540892550 NLPPFJFCLAPSSG-LLBVYWAGSA-N 444.532 2.359 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1541744942 WNKMWQURIQXWBJ-LEWJYISDSA-N 441.532 2.252 30 10 IEEE COCCCNC(=O)C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1543892813 HGGVDMDKZGEEAK-UHFFFAOYSA-N 438.322 2.091 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)s1 1546261262 YKORVPBWMMSSQY-OAHLLOKOSA-N 441.619 2.154 30 10 IEEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1547077616 NMAFKFRTNPIQNJ-WOJBJXKFSA-N 438.532 2.495 30 10 IEEE CNC(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1554484772 CYGKHQKZVIHAQS-JKSUJKDBSA-N 433.557 2.125 30 10 IEEE COCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1555499612 XDZDAFJAECCTCR-QHCPKHFHSA-N 441.555 2.121 30 10 IEEE CS(=O)(=O)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1555809729 OUVUGIKRNHIEBP-UHFFFAOYSA-N 449.552 2.199 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@]2(CCSC2)C1 1557145870 NHWGETNOCOGMTL-JXFKEZNVSA-N 437.587 2.018 30 10 IEEE C[C@H](CC(=O)N[C@H](c1ccc(F)cc1)c1ncc[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1584693209 VIVKFGYNXPPYHX-BFUOFWGJSA-N 441.488 2.272 30 10 IEEE COc1ccc([S@](C)(=O)=NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1584722301 GIMODWZIXGRXMW-OKXSDPAFSA-N 440.481 2.455 30 10 IEEE CN(C)CCN1CCC(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1585149908 LDVVMIVTVFWOLK-ITGJCUMNSA-N 447.624 2.163 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCS(=O)(=O)CC=C)c1 1587692474 FMEOQUXIJPPVCI-UHFFFAOYSA-N 441.557 2.203 30 10 IEEE C[C@H]1CN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)O1 1587797688 BDUTVGQMHMKONV-IDLDRQNPSA-N 434.581 2.389 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588034661 JZPAOUPRYAFGEV-ICSRJNTNSA-N 444.557 2.150 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1588769041 NNCPRJPZYRQXDC-UHFFFAOYSA-N 445.571 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N(CC)CC)CC1 1588930282 RQBJCEIPRNDOLL-AZUAARDMSA-N 430.597 2.216 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1593689784 FCKFCLWEYXUDIO-ICSRJNTNSA-N 441.532 2.246 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1594693247 VAXZSROYVQTXPC-NRFANRHFSA-N 432.546 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1595789595 XGTOSQGHQQISPT-UHFFFAOYSA-N 445.589 2.087 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1596832531 WHSBDFCBJXKJMZ-DLBZAZTESA-N 448.568 2.487 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1597691058 IMUXFPOBAYSMMS-HKUYNNGSSA-N 435.565 2.027 30 10 IEEE CC(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1603145277 GOZTZMDXMCRRAP-BXWFABGCSA-N 444.561 2.059 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3[nH]c4ccc(Br)cc4c3Cl)C2)c(=O)nc1O 1607489668 RSCGAWYKCWXJPQ-UHFFFAOYSA-N 448.664 2.415 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCC(F)F 1613314817 MMQAPCKVRAXBAK-CQSZACIVSA-N 436.511 2.314 30 10 IEEE CCCCN(C)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1614504305 AELZNNXBNAJONM-GOSISDBHSA-N 437.596 2.339 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1615316535 FIDPSCZYCWEQKI-DEOSSOPVSA-N 449.559 2.324 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 1625788973 SEAWTYUXINNYFA-SJLPKXTDSA-N 437.504 2.312 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCc1ccc(OCC#N)cc1 1626725551 CLURBVVSYZECGP-VJUNAUMWSA-N 435.402 2.191 30 10 IEEE Cc1ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1630035710 HNFUGUFMIYZJIO-UHFFFAOYSA-N 438.550 2.126 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 1635455098 CUPJNWGPEHSPES-IFMALSPDSA-N 427.522 2.448 30 10 IEEE CCOC(=O)c1ccc(N2CC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2)nc1 1638386001 UVWJNVXBCQOSCB-QGZVFWFLSA-N 445.520 2.150 30 10 IEEE CN(C)C(=O)[C@@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1642635313 SJJPSMHNCGPVEO-IEBWSBKVSA-N 426.517 2.329 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 1643097496 YDURDQOGLMYQRZ-OAQYLSRUSA-N 432.609 2.121 30 10 IEEE C[C@H](CC(=O)NCc1ncc(Br)s1)/N=C1/NS(=O)(=O)c2ccccc21 1643248292 ILXASPCIBADBMK-SECBINFHSA-N 443.348 2.039 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2cccc3ccccc23)c1=O 1644133612 FIPFHKBBLNWMQV-UHFFFAOYSA-N 434.452 2.015 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 1650923729 OJWKHVZUYCJONY-UHFFFAOYSA-N 428.514 2.244 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1 1666222732 SKYYQRZOCJKNFM-HOJAQTOUSA-N 428.533 2.266 30 10 IEEE CN1CCN(c2cc(CNC(=O)Nc3ccc(Br)c(C#N)n3)ccn2)CC1 1672168696 FOBXHTNYOGBBNT-UHFFFAOYSA-N 430.310 2.184 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[C@H](Oc3ccc(C#N)cn3)C1)CCS2 1676613515 BSDACVMMFPUSIP-GWWPLSDWSA-N 430.530 2.333 30 10 IEEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2ccsc2C#N)CC1 1681968645 BZMPOJPMMBOHES-MRXNPFEDSA-N 447.586 2.208 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1689893552 ZXBCXWUEVUPUEN-RBUKOAKNSA-N 449.621 2.431 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1689979490 CHRSKXLVPDPIIQ-MSOLQXFVSA-N 444.605 2.285 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1689992574 MEPCXUZWAUCCPT-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Br)cc1 1690015554 QLFJZULPIUMDHR-KRWDZBQOSA-N 426.318 2.307 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1690124654 QCLOHDBNVINRMF-GOSISDBHSA-N 442.564 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc([C@H](C)O)cc2)CC1 1690142166 JJCHBQGYKUHQIY-SFHVURJKSA-N 446.555 2.351 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690279989 QSPAPNGXKAYMNY-UHFFFAOYSA-N 431.928 2.144 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1690346665 YXXKABHNLMWWNE-HOCLYGCPSA-N 441.941 2.298 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C2CCCCC2)CC1 1690374099 OQHVTKDTZSAZTD-QGZVFWFLSA-N 435.594 2.128 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCO)c(OC)c1 1690523577 GJBPIMFLPWUMRM-UHFFFAOYSA-N 441.488 2.056 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CC(C)(C)O1 1693834320 QGVAUBHYLJRUIS-GOSISDBHSA-N 442.564 2.311 30 10 IEEE CCOc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)n1 1696170525 BKRIIKRNUSVNGE-UHFFFAOYSA-N 448.531 2.103 30 10 IEEE COC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697094942 BHIUJWZZBGPHNO-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE COc1ccc(OCCCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1 1697491173 BDYOVMWLUNVYQY-OAQYLSRUSA-N 434.500 2.470 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOC(F)(F)F)CCO1 1698494391 VPYKKWWAKZHDPM-XJKSGUPXSA-N 439.394 2.446 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705579616 YQOOPDMPXZSHMP-LJQANCHMSA-N 447.461 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1cccs1 1705585283 PRNVQKJERODJTE-NRFANRHFSA-N 439.566 2.312 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OC)CC1 1705649027 HNVMWXILXSVIOO-UHFFFAOYSA-N 432.528 2.306 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705692744 RMURUFKQYNERJP-OLZOCXBDSA-N 425.287 2.308 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1705717521 MAEYQOBQTJMPPH-IAGOWNOFSA-N 432.546 2.423 30 10 IEEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705803378 OTSAHRRADSRBCJ-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)C 1705816564 KWXCSUHAHIDIMY-UHFFFAOYSA-N 433.582 2.165 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705861302 BAEULELUAFRPTJ-OALUTQOASA-N 438.532 2.353 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1705906148 UUQJGDJBOZFSBL-UHFFFAOYSA-N 433.472 2.037 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1722363405 SKMFFISEWCMOBP-KRWDZBQOSA-N 449.483 2.073 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(NC(C)=O)nc1 1722387090 FZLOZFJZFFGKKX-UHFFFAOYSA-N 435.532 2.061 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCOC 1722397165 ODFAEMNUOCXUMZ-LJQANCHMSA-N 445.564 2.476 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC(=O)N2)C1 1722716038 RWSHMSFRXMTURW-WBVHZDCISA-N 427.505 2.022 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2)c1 1730994063 ALGPOHMSIPNFJO-SJORKVTESA-N 447.586 2.363 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740720146 YJCFBPKNMJSBDJ-LJQANCHMSA-N 440.617 2.320 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740864499 LYJUEWYZUHJURO-HXUWFJFHSA-N 437.548 2.387 30 10 IEEE CC(C)(C)Cc1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741201564 YIYBWGRIZAMVHQ-VXPUYCOJSA-N 442.564 2.400 30 10 IEEE Cc1noc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CC2)n1 1742891912 DUIFSYZTQUUEMA-UHFFFAOYSA-N 434.504 2.417 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](OC)C2)CC1 1746433773 HQHBKGXYOWQDKB-KNQAVFIVSA-N 437.592 2.458 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1748710462 QMSGQCFIHANWRD-INIZCTEOSA-N 433.516 2.454 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1748991118 QSBJXFBYAVIXSM-LEWJYISDSA-N 428.625 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)CC=C)CC1 1749003827 XDZLQUUXACZBLA-XMMPIXPASA-N 443.592 2.498 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OC)C1 1749454080 ALFCBMQHOUIMTC-QGZVFWFLSA-N 448.593 2.446 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(C)ccc1F 1749650092 JEAIUGRSMNAOKD-UHFFFAOYSA-N 437.479 2.312 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1760101238 LDGLLSCFQWJERD-ZDUSSCGKSA-N 440.367 2.057 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1coc(-c2ccc(C)cc2)n1 1760163234 PPFLBHCKJSKKMD-INIZCTEOSA-N 442.545 2.164 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760182083 BNYHWEJMSFJZFJ-UYAOXDASSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1760189854 MJRUPQSANJSYFG-IBGZPJMESA-N 443.573 2.088 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760281880 RHMWQISCAQVWPT-QHAWAJNXSA-N 446.665 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1760295212 QCYDKWDMHMBVBH-ZWDAVXSWSA-N 428.558 2.274 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)NCCC)CC1 1760388568 RIHJKXFUVLWWJW-UHFFFAOYSA-N 435.532 2.358 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760529040 VDXQJLGXKHNRLS-QHCPKHFHSA-N 449.596 2.405 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(NC(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1760529142 XVGXRZDSXNHIMZ-UHFFFAOYSA-N 436.560 2.155 30 10 IEEE CCOCc1nnc(N2CC[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766297472 GGQVNXPJPMENHS-UGNPLGLKSA-N 436.516 2.335 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C#N)CC1 1766722472 ZWDSGBICMVXMAH-UHFFFAOYSA-N 446.577 2.235 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(F)(F)CO1 1767063901 OVRLZECZMRYUHD-QGZVFWFLSA-N 430.459 2.333 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770797008 UDWWHVQCEKJINW-RTWAWAEBSA-N 442.539 2.350 30 10 IEEE COCCn1cc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@H](C)C#N)cn1 1771124425 HMPHGLDBTBHGLX-QGZVFWFLSA-N 433.520 2.004 30 10 IEEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1771251647 UTUXUQXIXJZPHV-QHCPKHFHSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1771304835 LPKSINMPELJESQ-FYQPLNBISA-N 446.596 2.241 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1771342916 FSICQWVDTNSMSY-FQEVSTJZSA-N 426.477 2.234 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(Cc2ccc(C#N)cc2F)CC1 1848564343 XKWNEVIIKQZREC-LJQANCHMSA-N 431.537 2.193 30 10 IEEE Cn1nc(C(F)(F)F)cc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852514293 VPHRPACUVLPQQC-MRXNPFEDSA-N 438.406 2.247 30 10 IEEE N#Cc1cnc(NC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)c(Br)c1 1853024735 DBSNAHGOEVNQIJ-HNNXBMFYSA-N 431.294 2.332 30 10 IEEE N#CCC(=O)N(Cc1ccc(-n2ccnc2)cc1)Cc1nnc2ccc(N3CCCC3)nn12 1853421060 UKUREZHJQCLQLH-UHFFFAOYSA-N 441.499 2.353 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636159 CGEQWOKHKFUQOY-HNNXBMFYSA-N 429.473 2.078 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCc2ccc(F)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855738686 BCFBDNXDAFWAOV-HNNXBMFYSA-N 429.473 2.078 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nc1C 1859476395 IYFOPQWWGAJHSA-UHFFFAOYSA-N 444.425 2.327 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862676415 ILNJIKCSAMHFOS-SFHVURJKSA-N 427.388 2.448 30 10 IEEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863216663 XCKZBCVQEVFRPU-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1870149589 LOHFSAMOPNMXBJ-KRWDZBQOSA-N 429.484 2.192 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(=O)OC)o2)cn1CCNC(C)=O 1870559104 SYSNOKJOTOIZHO-UHFFFAOYSA-N 443.500 2.117 30 10 IEEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2C[C@H](C)O[C@H](C)C2)n1 1871657299 OXMXBEOYWORPOK-HDICACEKSA-N 438.580 2.000 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccncc1 1874432296 XRRVNAFLGOOARO-WYMPLXKRSA-N 437.529 2.485 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2010515461 JPSOOAUYHFCJLV-VQTJNVASSA-N 428.533 2.295 30 10 IEEE C#CCN(CCOC)S(=O)(=O)c1c(Br)cc(N)cc1Br 2152964298 DKABSWGMHYKXNX-UHFFFAOYSA-N 426.130 2.064 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2235733207 ZTKFGFRMQKMHEU-FGTMMUONSA-N 439.350 2.385 30 10 IEEE CCc1nc(C(=O)NOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247834031 PVYTYMHZCOFALH-UHFFFAOYSA-N 441.359 2.191 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247918981 NTFQQCUTJQEFDB-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]1(C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248413853 BCRAIEHUERYQIT-HXUWFJFHSA-N 437.371 2.458 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2249668462 LJYJBZQINBPEJR-KSFYIVLOSA-N 439.553 2.123 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254790068 HLFOGNKUIAAEGI-DOTOQJQBSA-N 433.358 2.411 30 10 IEEE COC[C@@]1(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OC(C)(C)C)C1 2255596734 YNMFGTOKIHCDSO-JOCHJYFZSA-N 436.358 2.401 30 10 IEEE CN(CCOCCNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255649458 JTMNGUPENPINNG-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255695676 IZJOWTORZBCCCJ-LSDHHAIUSA-N 431.342 2.271 30 10 IEEE CON(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255869422 BAYXUECIBWPOMF-UHFFFAOYSA-N 433.314 2.004 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 2266994865 ZXZUQQVIMSMOQF-CYBMUJFWSA-N 444.259 2.418 30 10 IEEE Cc1c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267004250 BYLDZMLUMOYYGS-QFBILLFUSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267093797 YCSKYSZNHWXKSB-PEBXRYMYSA-N 446.357 2.228 30 10 IEEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2267185955 CONAHVSHXLEKNU-IBGZPJMESA-N 438.381 2.456 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267495441 MBQYNMKQDQNCOP-LSDHHAIUSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267518100 CWMJZFWQXCAPHF-CABCVRRESA-N 448.373 2.332 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268607831 QSDQSZDDSAHINX-SFHVURJKSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268717033 ILWUKCJIGQDSFN-INIZCTEOSA-N 447.341 2.345 30 10 IEEE C#CCOc1ccc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC 2293091956 SQTYMEXLHWQARM-UHFFFAOYSA-N 425.466 2.161 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2301386993 FUIWHWBHPXLESB-HUUCEWRRSA-N 439.749 2.426 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccnc1 2330730042 BUYIWXASSRSIAD-UHFFFAOYSA-N 437.529 2.485 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2334264916 ZSICKZCGXMFYQO-IXDOHACOSA-N 445.369 2.452 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2337269554 ALKOBOCQQBUERO-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c(F)c1 20920614 INXFLCBVOMTRBV-QPSGOUHRSA-N 431.501 2.394 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)/N=C(\N)NCCc2c(C)[nH]c3ccc(F)cc23)c1 22625379 LJPGWBOVMYVTCH-UHFFFAOYSA-N 434.493 2.468 30 10 IEEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 33272777 WMXUZRMIYRGUIZ-UHFFFAOYSA-N 432.524 2.223 30 10 IEEE COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3C#N)C[C@H]12 35870360 CPMLUEKTCKHYHM-DENIHFKCSA-N 435.484 2.097 30 10 IEEE CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](C)Cc1ccc(OC)cc1 429904774 TZGPOYCQMYICNL-KRWDZBQOSA-N 446.511 2.625 30 10 IEEE CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446627338 FHGALHDXSIWGHI-JLAWEPINSA-N 449.577 2.147 30 10 IEEE COc1cc(CNC(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)ccc1C#N 462267440 HQGVNHLBIRNMKV-UHFFFAOYSA-N 438.484 2.252 30 10 IEEE N#CC1(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CCSCC1 464401786 FXMUSGMOWAIJIO-CYMYHSCOSA-N 447.560 2.371 30 10 IEEE COCCNc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 471111043 ZINWSQAVWWMREP-UHFFFAOYSA-N 443.934 2.474 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 500602924 BCGBKKPZTCGETD-RBUKOAKNSA-N 449.555 2.419 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cnn4cc(Br)cnc34)C2=O)cc1 505668889 LFVLBDOBUNVGAS-MRXNPFEDSA-N 439.273 2.289 30 10 IEEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508904037 RTOQVAHHRUQZFX-GOSISDBHSA-N 449.552 2.209 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(=O)N(C)C)CC1 508924138 XDMTXEIEBVZCDD-QGZVFWFLSA-N 430.528 2.344 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 512362867 NCAZHNORGMAJAN-OAQYLSRUSA-N 436.512 2.396 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 531711752 XCJDUAMXENRMNT-WBVHZDCISA-N 435.546 2.195 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCCN=c3cc[nH]cc3)c2)cc1 533815952 YGKMXKLSKLOONI-UHFFFAOYSA-N 429.480 2.315 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544878795 YEKODNJRHUABTE-UHFFFAOYSA-N 440.529 2.114 30 10 IEEE CCn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555081035 YPYHGBBIAPUJNO-UHFFFAOYSA-N 428.562 2.413 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](c4ccc(F)cc4)O[C@H](C)C3)CC2)o1 563489049 QCWDMENITNZNHV-FOIQADDNSA-N 427.480 2.104 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)ccc1C#N 573651851 MTNAIHCYGBHUMN-YLJYHZDGSA-N 427.549 2.089 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 610809823 PIVSSURQHABUAW-JXFKEZNVSA-N 437.525 2.059 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 611615476 DXMONVYXWOAFOO-UHFFFAOYSA-N 439.493 2.275 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSc1ccccc1 729669738 CMIMPYQTUZXHJQ-UHFFFAOYSA-N 429.530 2.376 30 10 IEEE N#Cc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(F)c1 729837006 VZLHMOZCNLKGIN-UHFFFAOYSA-N 437.880 2.302 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cc(Br)c3c(c2)OCCO3)cc1 749046615 HDURWIHALNZBQF-UHFFFAOYSA-N 437.271 2.352 30 10 IEEE Cn1nc(O)c2c(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc(C3CC3)nc21 756881893 FCNYTHBXRWSFOD-DOMZBBRYSA-N 426.477 2.040 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C(=O)Cc1ccccc1 762007154 GORPZKSOUPGUPH-LPHOPBHVSA-N 441.553 2.456 30 10 IEEE COC(=O)CCCC[C@H](C)C(C)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 767757024 YTYBTHDQULEJGO-INIZCTEOSA-N 439.582 2.175 30 10 IEEE CS(=O)(=O)N1C/C(=C/c2cccc3nccn23)C(=O)/C(=C/c2cccc3nccn23)C1 769611179 WRAQVVQFLZFQOO-RFTYBOQRSA-N 433.493 2.293 30 10 IEEE COc1ccc(CN[C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)cc1C#N 773074472 GDBLXSDMVLJFAI-CQSZACIVSA-N 437.543 2.143 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 784509747 DCEZKSVCFCVMHF-KURKYZTESA-N 425.514 2.299 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)n1 788957155 IDMLWURFATYZDH-IBGZPJMESA-N 425.533 2.209 30 10 IEEE Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc21 800591763 CRQGUKQKYZLPHG-QGZVFWFLSA-N 437.548 2.071 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 805783971 AVJGYYYQNHTDRP-HXUWFJFHSA-N 429.517 2.476 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2CC(F)F)cc1 806219118 DNIMBDYOBPCQIS-AEWZPABSSA-N 430.477 2.387 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 810268692 IKCQLZZQGPIOFL-UHFFFAOYSA-N 426.542 2.239 30 10 IEEE CC(C)CN(C(=O)COC(=O)CSCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 917262130 LHHYCQUNLGXNGQ-SFHVURJKSA-N 438.571 2.006 30 10 IEEE N#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(F)cc1 918556511 DHGUNBQLAUPZPG-AEFFLSMTSA-N 443.456 2.144 30 10 IEEE CC(C)[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCOCC1 1141263461 ULMGEMGUCKCFNA-IBGZPJMESA-N 435.366 2.230 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc([C@H]2CCCC(=O)N2)c1 1155619348 PRFZZCMYDAPDAQ-QGZVFWFLSA-N 426.498 2.095 30 10 IEEE CCN1C[C@H](CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1165356921 LIFRVTPJPHXBSE-OXJNMPFZSA-N 426.517 2.377 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 1189039335 AEVCYIPORRAFBH-CZUORRHYSA-N 438.506 2.211 30 10 IEEE C[C@]1(NC(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 1213478530 IAIYAQYKTDXGTE-ZDUSSCGKSA-N 429.342 2.409 30 10 IEEE C=CC[C@@H]1CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1226341121 NZJPYJOPNIGTFH-JOCHJYFZSA-N 428.577 2.380 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)ccc1OC 1265124812 AWHABCFUWWEAHE-WMZOPIPTSA-N 425.489 2.169 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)c2cnn(C(C)(C)C)c2I)C1=O 1270493010 CWURPMQSEVMOMM-GFCCVEGCSA-N 430.290 2.102 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286300283 QQFFXVQQPJJNAQ-XXBNENTESA-N 430.556 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCc2ccccc2C1 1286416850 YZFKHXUMJLACIM-UHFFFAOYSA-N 444.583 2.310 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC(F)F)CC1 1286477206 ROFLQFFECGCJAL-UHFFFAOYSA-N 427.459 2.084 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286674883 JODRHNPOSHMWEQ-GOSISDBHSA-N 427.553 2.314 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286700133 DNPBYKWEFCLYKQ-KRWDZBQOSA-N 440.552 2.101 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N1CCCCC1 1287218188 OSTMCBYCJZEPCL-UHFFFAOYSA-N 436.564 2.397 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1298916114 JOAQBCASNWXHLY-GOSISDBHSA-N 433.520 2.022 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccco1 1300284094 PJGOLHKHNGHWDR-VFNWGFHPSA-N 428.514 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC1(N2CCOCC2)CC1 1300590697 DJELIHOHDOBHOP-UHFFFAOYSA-N 433.556 2.493 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCCC2=O)c1 1300666283 VUYQNHVOTPSUTM-FQEVSTJZSA-N 437.544 2.433 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(C)(=O)=O 1300872609 BPDKZGPMQFPVDV-APWZRJJASA-N 448.545 2.136 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)C)nc2)C1 1301535094 HRVMIMOHPCAVPV-GOSISDBHSA-N 428.537 2.428 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1302452525 VHVGYXFDJFRYRU-LJQANCHMSA-N 446.559 2.484 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1302989109 HAHYJQXDTSTSME-HOTGVXAUSA-N 443.458 2.286 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1 1303782374 GRLGPKWIZCWMOM-INIZCTEOSA-N 443.529 2.282 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1313039465 CAKDAGKAYZDFBM-SFHVURJKSA-N 440.585 2.251 30 10 IEEE CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1313685218 BBLZLGDIWWJIAL-XUTLUUPISA-N 438.488 2.089 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)N2CCOCC2)cc1 1315449701 HUQJELGYHUPOPV-MBSDFSHPSA-N 442.539 2.235 30 10 IEEE COCCN1C[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1=O 1316121373 GHDRIEMXBUSBPQ-MSOLQXFVSA-N 449.559 2.441 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1316227859 FHKAIULJJRPJMU-SJLPKXTDSA-N 426.521 2.207 30 10 IEEE N#Cc1ccc(I)c(OS(=O)(=O)c2cccc(C(N)=O)c2)c1 1326981814 BLVXCPSYABOTDU-UHFFFAOYSA-N 428.207 2.029 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCNC(=O)[C@@H]3c3cccs3)CC2=O)cc1Cl 1354777336 COIFPMUMAORQQB-UGSOOPFHSA-N 428.901 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1358992247 GBDFDAAANUDSFW-UHFFFAOYSA-N 440.511 2.455 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(=O)NC)CC1 1359163713 PDKHVQMTPRGGAI-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359203992 ZXHLNWDZHOEBCI-QGZVFWFLSA-N 425.599 2.389 30 10 IEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1359225699 IIZOLGBBXAOZTK-HDICACEKSA-N 440.504 2.037 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCOCC2)c1 1359230475 UWCOJOSYWBAVPQ-UHFFFAOYSA-N 426.521 2.137 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C)C1 1359295435 AZLSGSIDROFROQ-GFCCVEGCSA-N 438.301 2.374 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359332336 VFYLJVKKGCXBDS-QGZVFWFLSA-N 437.610 2.230 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1 1441223783 LZZLADGLPLDSEH-GOSISDBHSA-N 444.532 2.214 30 10 IEEE CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1454865000 CTMLFHCSKAENMB-UHFFFAOYSA-N 430.505 2.346 30 10 IEEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1455093018 MOPVSDIPXVAOKL-SJCJKPOMSA-N 441.431 2.251 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2COc3cccc(Br)c3C2)c1 1455108584 KCDFPDHBIXWUAN-CQSZACIVSA-N 449.326 2.094 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cnn(CCC#N)c3C)C2)cc1 1464700984 KKPIZBOVLIODEN-SFHVURJKSA-N 429.546 2.244 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F)c1cc[nH]n1 1466444919 OSOZNUURKNLOJX-HNNXBMFYSA-N 426.395 2.373 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1468540911 MXWKMKLYQFWJKN-HYFFOGBASA-N 430.505 2.395 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c1 1469583361 VNQZNJFNQSVIRW-ZWKOTPCHSA-N 447.557 2.164 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1471306293 UVRWYYGXVLATML-UHFFFAOYSA-N 426.492 2.298 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3CC(=O)OC(C)(C)C)CC2)o1 1473610559 GZHMWGGGAWSKLZ-KRWDZBQOSA-N 431.537 2.090 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 1475946701 FQBIAAUYWFZGBZ-SFHVURJKSA-N 429.498 2.212 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(C(=O)NC)c2)CCOC1 1502618149 GIZFWZSXKZZSCQ-OPAMFIHVSA-N 426.521 2.076 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1504215692 HBTCXKAKLSVUND-AEFFLSMTSA-N 431.562 2.102 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncnn1C(C)(C)C 1504409901 HJYCJOLHILJPHW-QGZVFWFLSA-N 436.520 2.001 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1507561089 RKSGSKGIDMVWKY-KRWDZBQOSA-N 447.543 2.180 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1507635651 YJCOZEYLKYBCJW-IBGZPJMESA-N 443.573 2.254 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSc1ccccc1 1507710730 KDZOAUOTIWHBJQ-QGZVFWFLSA-N 434.587 2.059 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1507718603 FJTLWLHOCYFOCG-PCCBWWKXSA-N 433.597 2.209 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnccc2OC)CC1 1507724305 MWVFILURGUKODL-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507774373 CSIYTPMSTKDOLD-OAHLLOKOSA-N 447.337 2.475 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507957159 DEFCMNQUUPKSAZ-BBRMVZONSA-N 449.353 2.343 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCSC1 1508514138 CLGGRSCLKKJOGR-NRFANRHFSA-N 427.578 2.037 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1513999712 GEHVKEFIAHSTSR-VQIMIIECSA-N 446.577 2.245 30 10 IEEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1515366444 BUMJXVOMFKQWRZ-FQEVSTJZSA-N 439.564 2.128 30 10 IEEE O=C(C[C@@H]1CCS(=O)(=O)C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538726055 FVYCXGZWTHLEDS-CIUDSAMLSA-N 429.329 2.441 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1538975945 FUKAIYGHXWFHBF-VGOFRKELSA-N 446.573 2.034 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1cccc(C(N)=O)c1 1539402772 IUKMDFVSXAIGID-UHFFFAOYSA-N 438.919 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC1 1539477765 XZEXJJNJXZGTGC-DLBZAZTESA-N 448.518 2.021 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 1539629721 XWLPKKKTUWYNIN-MJGOQNOKSA-N 427.553 2.116 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540859323 UFGATLVLMDJECN-MRXNPFEDSA-N 426.550 2.217 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540876261 LRVWHWYMUJXTQV-ILZDJORESA-N 441.580 2.226 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCc2nccn2C1 1541805979 BCDGAWYOZDJLHG-HZPDHXFCSA-N 438.561 2.467 30 10 IEEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1543967935 FIPQMKPUAUPLFM-UHFFFAOYSA-N 446.529 2.347 30 10 IEEE CCCCOCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547070362 YSEGYOWZEXUIMN-UHFFFAOYSA-N 441.536 2.158 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1554704115 AHMOPTYWAOTPEP-UHFFFAOYSA-N 438.454 2.448 30 10 IEEE COCCCN(C)CCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555485750 UYUJALDTQUFIJZ-UHFFFAOYSA-N 439.564 2.439 30 10 IEEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CCO1 1555994004 DQIBUQYLPFNLMD-CVEARBPZSA-N 435.937 2.368 30 10 IEEE CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1557162973 DEACGFCXWJHTLB-UHFFFAOYSA-N 435.546 2.463 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C(F)(F)F)c1 1558062565 NFXPWCZXJKNQTB-LJQANCHMSA-N 446.433 2.197 30 10 IEEE C#CC1(NS(=O)(=O)c2ccc(I)c(C(=O)OC)c2)CCCC1 1561866661 QHIUTCVDXMAKJR-UHFFFAOYSA-N 433.267 2.302 30 10 IEEE COc1cc(C(=O)NCC#CCO)ccc1OCC(=O)Nc1ccc(Br)cc1 1568142226 POXKRZNFWPCFDU-UHFFFAOYSA-N 447.285 2.201 30 10 IEEE C=CCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc(OC)c1OC 1583704651 JDGPXNSIXBZNCZ-INIZCTEOSA-N 439.530 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1584012696 MPWJPBYMGJMYIQ-SBUREZEXSA-N 442.516 2.053 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3COCCN3C(=O)OC(C)(C)C)n[nH]2)c1C 1586966972 FSNHRGHGRNAZNB-MRXNPFEDSA-N 444.536 2.442 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1587631407 CMBOKGUHZMZMKJ-YTQUADARSA-N 447.580 2.390 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1593777094 WDODNDSVSRZOPU-RBUKOAKNSA-N 432.569 2.305 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)Nc2c(C)cccc2C)CC1 1594013294 FCHQRWKPTGXSER-QGZVFWFLSA-N 446.577 2.300 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1594569079 XXDWGKXIBAGCAJ-STQMWFEESA-N 425.477 2.012 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594819832 MWZQBEZTOCICPN-IBGZPJMESA-N 447.605 2.240 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1594858344 YYNDJESHRMWXMP-SCLBCKFNSA-N 427.958 2.072 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCS(=O)(=O)CC1 1594943021 JKJFOADBPVXIDF-UHFFFAOYSA-N 443.529 2.162 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc2ccccc2[nH]1 1595467784 ZTFNVEDIHICJDP-UHFFFAOYSA-N 444.499 2.345 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1595593520 FPKBQIJDSGZJTD-MOPGFXCFSA-N 429.496 2.446 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@H]1C[C@H]1C 1613585344 CACIOWKOMAUIKP-KDOFPFPSSA-N 439.568 2.018 30 10 IEEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCC1 1619791914 DWRFCVANTOZZLE-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1620077040 CLMHNBUFYDEMSE-FDDCHVKYSA-N 441.532 2.254 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1 1628777574 BZKZMJNQGURPAU-UHFFFAOYSA-N 430.468 2.309 30 10 IEEE C#CCN1CCCN(C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)CC1 1629536746 BBBRQBFZIYKFQJ-SFHVURJKSA-N 427.574 2.412 30 10 IEEE Cn1c(C(=O)NCCn2cnc(C#N)n2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 1634936106 XMGOLOVGVWWLKP-INIZCTEOSA-N 427.509 2.380 30 10 IEEE C[C@@H]1C[C@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCS1(=O)=O 1635743324 FPZVVASCQBZFHT-BJZITVGISA-N 447.557 2.474 30 10 IEEE C#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1635837683 YSELZFNKHAIBQZ-UHFFFAOYSA-N 428.510 2.204 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c1 1641580711 WFVKNUQHGPLFAU-UHFFFAOYSA-N 439.324 2.466 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(c3ccc(C#N)c(Br)c3F)CC2)cn1C 1642407547 OLNNBQSCQFAFBG-UHFFFAOYSA-N 442.314 2.013 30 10 IEEE C#CC[C@H](NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)C(=O)OC 1642410553 HOQMEPTZQSZTGE-FQEVSTJZSA-N 428.510 2.262 30 10 IEEE COC(=O)c1ccc(N2CCN(Cc3ccc(Br)cc3)C(=O)C2)c(C#N)n1 1643040419 SLVWPAPMEGCJDK-UHFFFAOYSA-N 429.274 2.351 30 10 IEEE C#CCN1CCN(C(=O)CN(C[C@@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)CC1 1643418114 GAWVNRHFWZNIHA-ATIYNZHBSA-N 449.595 2.439 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN([S@@](C)(=N)=O)CC2)n(Cc2ccc(F)cc2)c1C 1644417828 KXHZOFCTSCZZPS-WJOKGBTCSA-N 446.552 2.312 30 10 IEEE C#CCOCCN(C)C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1648263883 AAYJHMUFKCHBJB-UHFFFAOYSA-N 431.352 2.248 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@]3(CCc4cc(Cl)ccc43)C2=O)c1 1652741498 KYZBMJVGCLOYCF-QFIPXVFZSA-N 436.855 2.363 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)c1 1662018106 QXRFYBUDTMQCIN-UHFFFAOYSA-N 438.259 2.280 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)C1 1679944301 KOVZHRUVSHEYRL-DMEJVMROSA-N 436.534 2.379 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCS1(=O)=O 1690011948 KFFIUSGYOXWEDY-OAQYLSRUSA-N 448.552 2.171 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1690104847 KPCVXTYUYCRKFJ-NFBKMPQASA-N 425.533 2.078 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1690142552 QELSSFQCOJTTQU-OAQYLSRUSA-N 437.592 2.282 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(N)=O)CC1 1690503658 JWJUSMXUCGQCFD-UHFFFAOYSA-N 441.532 2.401 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1690742019 DKQKTLMXIYIDKP-UHFFFAOYSA-N 426.546 2.336 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1692665610 WHBQUBPXXUBBSZ-INIZCTEOSA-N 449.515 2.451 30 10 IEEE Cc1cccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)c1 1693169888 FHDCBRBDPHRENI-QHCPKHFHSA-N 433.491 2.444 30 10 IEEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1697401825 FGGXQAPMMLGPKD-LEWJYISDSA-N 425.533 2.352 30 10 IEEE COCCCN(C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1697989384 YDYFHBQJYCHZFF-LJQANCHMSA-N 435.532 2.190 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1COCCO1 1698049660 AHPQPSXZSCBOHK-WOJBJXKFSA-N 427.505 2.070 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705569243 FJDLEHABWCAWDC-APWZRJJASA-N 446.548 2.464 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705569929 LJVMJNOVMRIHPC-NHCUHLMSSA-N 444.601 2.361 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(OC)CCOC2)CC1 1705636650 SGSWOXZVOYWDKA-JOCHJYFZSA-N 445.951 2.168 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1 1705656362 ZUYADLMPRAPKKX-GFCCVEGCSA-N 438.351 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705933641 OADGDXHWMBWJTF-SFHVURJKSA-N 445.589 2.200 30 10 IEEE C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1708169572 XRWBJAJYLQXWII-NSHDSACASA-N 444.293 2.216 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CCOC)c1 1708664140 GSFVGSFBDAOFFP-SFTDATJTSA-N 435.532 2.440 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1712522321 STDDKUFBIYWIET-KRWDZBQOSA-N 440.548 2.492 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1722362448 UTFCUSMFGAKAHO-INIZCTEOSA-N 444.586 2.216 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1722615045 XYDRNNNPTWJFBM-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE C=CCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1722622163 GXKJAMDSKKVSNS-OFNKIYASSA-N 432.613 2.113 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1722671858 DLDXXDIDGMKBTH-HNNXBMFYSA-N 437.953 2.486 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCOCC1 1722674766 TZDCTAWWBZBCQE-LJQANCHMSA-N 429.521 2.207 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCSC[C@H]1C 1722730268 MYRAJUNHEVEYLI-QGZVFWFLSA-N 436.603 2.442 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1cc(Br)cn1 1726389833 TXJIKMKIAACUAW-UHFFFAOYSA-N 443.309 2.171 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1N(C)CCCC1(C)C 1727606999 HLNMTSZPFBWFIP-PKOBYXMFSA-N 437.596 2.338 30 10 IEEE CCOCc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1728971824 KZUAJUXHFJQKQL-ACRUOGEOSA-N 441.532 2.316 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)SC)C[C@H]1O 1729783075 QJIIKDRVRZGBRU-IAGOWNOFSA-N 429.546 2.319 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2COCCO2)c1 1740564815 YKJSWHLLZFPCOB-OAQYLSRUSA-N 437.544 2.482 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCOC[C@@H]1OC 1740636855 GIRBMJXPQXJWNV-KNQAVFIVSA-N 430.512 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740657212 WCDBMPJBZZLXBK-CTNGQTDRSA-N 437.519 2.466 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC(F)(F)C1(OC)CCOCC1 1740657573 ZTVWYOHOKDWXPK-GOSISDBHSA-N 436.503 2.466 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1(CN2CCOCC2)CCCCC1 1740688369 UUMDYVVYZBLNOO-OAQYLSRUSA-N 445.608 2.498 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2ccccn2)CC1 1740692319 IDDOIQIRQMWHSY-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](OC)C1 1740764460 XBVZKMXYHBTRMG-JTDSTZFVSA-N 431.562 2.476 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccnc(C)n2)CC1 1740768746 XJDFBRBJZOSTSH-RXVVDRJESA-N 427.553 2.221 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1740875298 ZMSSDUWWBJBNAZ-MRXNPFEDSA-N 435.532 2.121 30 10 IEEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740885802 OFOFCKGITUVZMS-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1741001152 LZLFDWBXDLIUCR-UHFFFAOYSA-N 434.566 2.276 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741983661 DBZPZXOJLOFUDO-UXHICEINSA-N 449.964 2.278 30 10 IEEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1746668176 AZYMDSUZMIMZEO-VQIMIIECSA-N 425.480 2.484 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1748712481 IUYLYQXQBRACBQ-LJQANCHMSA-N 435.532 2.219 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@H]1CC 1749133404 LLYBYIVJMKFGLD-WDYCEAGBSA-N 430.578 2.330 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749193985 VYJYHDZLWFQXKI-INIZCTEOSA-N 447.561 2.057 30 10 IEEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749443257 XLEPSZMOCYJDHY-UHFFFAOYSA-N 426.540 2.375 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1749573974 LMNAYYBVZGACJL-GOSISDBHSA-N 426.496 2.285 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)COCC2 1749589555 BLLFYPQRDRDZRT-UHFFFAOYSA-N 425.533 2.274 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1749734007 CRGWUEJOKAHMPK-UHFFFAOYSA-N 437.610 2.059 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1749756269 VVXFRZDPIJSGKQ-INIZCTEOSA-N 443.639 2.157 30 10 IEEE C=CCSCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1749764148 SWZUBOWFVHAINL-NRFANRHFSA-N 438.594 2.235 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1750561903 BUUBKGDNJACRAK-OAHLLOKOSA-N 436.520 2.495 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1760181712 ALRZDPUVLILJCA-IBGZPJMESA-N 447.605 2.324 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1760185184 RRMCEEDCQFSDJL-AWEZNQCLSA-N 442.463 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2csc(CC)n2)CC1 1760273462 VSNSVAHZNWWLQN-QGZVFWFLSA-N 428.562 2.163 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1760521424 SGTAHFFIHQTPOZ-IAGOWNOFSA-N 449.559 2.459 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)CCOC 1761880438 CSCMXNXNPUFFKQ-JTSKRJEESA-N 427.553 2.172 30 10 IEEE CC[C@H](C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)OC 1763436649 HBJBZLYLTJSLLD-ZMSDIMECSA-N 426.587 2.079 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCO[C@H]1C(C)C 1766395817 CFKMXMCCZKBAAL-UGKGYDQZSA-N 439.564 2.469 30 10 IEEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)F)CCN2C1=O 1767510084 NOTLRTVZYUOZNE-MRXNPFEDSA-N 431.447 2.002 30 10 IEEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1768519300 SOBHIFUCAIEHKS-QFIPXVFZSA-N 447.543 2.368 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CCCO1 1768997476 JSUOWXQPHDNLEU-RDTXWAMCSA-N 435.326 2.344 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)OC)cc1Br 1770086672 HOWZRPDAFOAWOB-GXTWGEPZSA-N 436.310 2.480 30 10 IEEE COCCN(C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1771078688 NNFFCTCZBBJAPM-CQSZACIVSA-N 438.374 2.220 30 10 IEEE Cc1cn2nc(C(=O)NCC#CCN3CCCCCC3)cc2c(N2CCSCC2)n1 1851087785 AGXARUVOXXMOLN-UHFFFAOYSA-N 426.590 2.200 30 10 IEEE Cc1cc(C)n2nc(C(=O)O[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)cc2n1 1852759452 DJOHZPSAYLKSRZ-FQEVSTJZSA-N 435.484 2.154 30 10 IEEE CN(C)C=NC(=S)N(C(=O)c1cc(N2CCN(C)CC2)ccn1)c1ccc(F)cc1 1852843631 IYJGGEGAYWUZBA-UHFFFAOYSA-N 428.537 2.494 30 10 IEEE Cc1nc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)nn1-c1ccccc1 1852958418 QRWBWFAEGLAIMB-JOCHJYFZSA-N 447.495 2.384 30 10 IEEE C=CCC[C@@H](C)C(=O)O[C@H]1CON(S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)CC3)C1 1855313294 IGNXOGDORVBZOF-DNVCBOLYSA-N 436.530 2.041 30 10 IEEE C=CCN1CCN(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)C(=O)C12CCCCC2 1856282606 SYJHVLOHUOXRFQ-KRWDZBQOSA-N 430.574 2.457 30 10 IEEE CCCOc1ccc(C(=O)N=c2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)[nH]2)cc1 1860838779 ZHLHXFLCWDNDSF-UHFFFAOYSA-N 446.467 2.483 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862563816 LSMUINHMXKDXRU-FQEVSTJZSA-N 439.468 2.088 30 10 IEEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1866337156 OLXVIQNJVPRVGH-CYBMUJFWSA-N 427.910 2.344 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782476 JDFVIOWEPJPILU-QUCCMNQESA-N 432.590 2.149 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccco1 1874274758 OWLVUMUPCCDKRR-DACUGSJHSA-N 432.550 2.486 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874280302 OYINPBKFDDQXKZ-FVUPAENESA-N 431.518 2.057 30 10 IEEE CCCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874337568 IQSDYPRILYOLOX-BRUSPLQXSA-N 444.561 2.251 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccc(O)c2)o1 1874433572 WWHLSUDUIDAFCO-ZVBGSRNCSA-N 429.458 2.174 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN2CCCC2)c1C 1890684017 IAXGXFVZFKRGSU-NRFANRHFSA-N 431.602 2.289 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987169007 LBWHQDTYJIBZBZ-LSDHHAIUSA-N 425.526 2.039 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)[C@@H](C#N)C1 2044268056 NJYGADPCFRLESE-FHWLQOOXSA-N 442.516 2.076 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1 2174558627 CAHVCQSMZLDLGL-HLAWJBBLSA-N 425.510 2.331 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2243172091 CPQYEJKSLDTZPI-INIZCTEOSA-N 427.542 2.029 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)ns2)OC1(C)C 2247918634 LXMHYUUXIFOJII-HZPDHXFCSA-N 425.363 2.303 30 10 IEEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401005 DRFDXIIKCWJILT-GFCCVEGCSA-N 441.359 2.311 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255626166 BTRMTGQQJZVLEY-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCC1 2255632725 QOKGPKGMLMTWMV-UHFFFAOYSA-N 434.346 2.182 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2255634828 CAVPMHIYJUOBKX-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2255813714 VTNMCUBVBRQQDP-PEBXRYMYSA-N 429.326 2.120 30 10 IEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255878317 WUNKENVQFLQTIV-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255884509 ZBXQIHJBGHIKRC-IRXDYDNUSA-N 432.326 2.008 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256638977 AWDLKDZAXYXIOK-KRWDZBQOSA-N 434.342 2.142 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2267091448 IVVXKFWOACUSTF-FPTDNZKUSA-N 448.373 2.332 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267188584 OGKVOZWOUXWKQW-AZUAARDMSA-N 436.365 2.066 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267266243 OACDVHHEAHQKCM-AEFFLSMTSA-N 446.353 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267614347 MKOKVXVHEZLXLH-QFIPXVFZSA-N 449.332 2.460 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870875 JDNVXEZZVXFVMB-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE C[C@H](NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268652361 GMBHPCWTLJHRBI-HDMKZQKVSA-N 448.369 2.437 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2268986809 XABBIELNNHPEEV-QGZVFWFLSA-N 440.305 2.171 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1 2296610018 IGWLEASAOQDZQB-GOSISDBHSA-N 430.530 2.232 30 10 IEEE COc1ccccc1[C@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)C(=O)C(=O)N1CCOCCO 2296928536 YPPGTQWTRICSDP-IBGZPJMESA-N 442.424 2.034 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CO[C@H]1C2 2312794677 NWWUCAYMGAUCFF-AZXNSQLWSA-N 440.544 2.295 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccccc2O)cc1 2326655866 XNDQELIUGWUXAS-UHFFFAOYSA-N 427.486 2.421 30 10 IEEE Cc1ccc(Cn2c(=O)c3c(nc(NN=Cc4ccc([N+](=O)[O-])cc4)n3C)n(C)c2=O)cc1 2328610346 LJVITIOGPCQDJH-UHFFFAOYSA-N 447.455 2.145 30 10 IEEE NN[C@H](C#CC1[C@H]2COC[C@H]12)c1cc(Br)ccc1I 2341629067 NQJQFPBHUFPTLM-YRGRVCCFSA-N 433.087 2.454 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(Br)cc2I)[C@H]2CCN1C2 2368599678 SSVWRRGOWGBELV-QWRGUYRKSA-N 446.086 2.476 30 10 IEEE CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(C)c2)c1C 28694432 BSZFGOSSUBLSDG-UHFFFAOYSA-O 443.593 2.291 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 57830797 SEXWVJQTTUFJNZ-UHFFFAOYSA-N 429.952 2.262 30 10 IEEE CN(CC(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)c1ccc(Br)s1 59368830 UBOZEWLEBBWWIQ-UHFFFAOYSA-N 448.346 2.198 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)NCc3ccc(F)cc3)n[nH]2)cn1 59887282 LDHPODXBSIFQBT-SSDVNMTOSA-N 446.512 2.031 30 10 IEEE C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)Cc1cccc([N+](=O)[O-])c1 63297777 XKKQVXDZNLOQDK-UHFFFAOYSA-N 432.502 2.472 30 10 IEEE Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(c1ccc(C#N)cn1)C2 69893981 FAZKZNHXJOZZFI-MRXNPFEDSA-N 443.511 2.266 30 10 IEEE COC[C@@H](C)N/C(=N/N)Nc1ccc(I)cc1Br 302458703 WRFUDKAKHWOBLY-SSDOTTSWSA-N 427.084 2.320 30 10 IEEE C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC2(CC#N)CC2)c1 430349036 CQQKFYIAXZPYDM-HNNXBMFYSA-N 429.496 2.387 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CN2CCOCC2)cc1Br 433871083 VGKXFCZSGUMPPJ-HNNXBMFYSA-N 428.352 2.196 30 10 IEEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)n[nH]1 440760543 MMBDOWBGMNTGKV-UHFFFAOYSA-N 445.483 2.060 30 10 IEEE Cc1cc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)ccc1C#N 443880416 OKEKQCFCPDORRD-UHFFFAOYSA-N 433.555 2.271 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N(CCCN2CCOCC2)Cc2ccncc2)cn1 462101444 XXYJIIRDDVHKDI-UHFFFAOYSA-N 446.515 2.290 30 10 IEEE CC1(C)CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 465061201 PBSRZSZWWVQUQK-UHFFFAOYSA-N 432.502 2.058 30 10 IEEE CC1(C)CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CCS1(=O)=O 465071527 NUJVNZWWZPOHEV-UHFFFAOYSA-N 431.474 2.021 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)nnc1-c1ccco1 478088496 QMMIMCULHRCYNK-YCRPNKLZSA-N 446.529 2.244 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480452484 HLKNNAZYLSFZSC-QGZVFWFLSA-N 441.557 2.006 30 10 IEEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481252225 GXDOKUIWLGUWCU-IAGOWNOFSA-N 443.525 2.063 30 10 IEEE N#CC1(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CCN(Cc2ccccc2)CC1 482695446 QPFPVSISBIQPAY-IRFCIJBXSA-N 441.601 2.387 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@H](COc3ccccc3)C2)CC1 484554383 FDMRKAFFFURJIF-SFTDATJTSA-N 440.569 2.237 30 10 IEEE N#CCOc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(Cc3cccnc3)C(=O)[C@H]42)cc1 504102507 QGIBDGKLFHSONI-IGKFWFGWSA-N 428.448 2.154 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)c1 513787684 CUZIPCVZFOTLGB-UHFFFAOYSA-N 437.477 2.417 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 523306444 MMPPFACHRHYAJG-UHFFFAOYSA-N 427.595 2.419 30 10 IEEE COc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1-n1nnnc1C1CC1 546223956 OOBNSTJPBZBUPL-UHFFFAOYSA-N 445.487 2.169 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 566825236 KXIBGENFAVBSRJ-NEWSRXKRSA-N 431.562 2.179 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#N)c(F)c1 703983948 JJSMXUQUCQPQCV-UHFFFAOYSA-N 429.473 2.439 30 10 IEEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730138766 MXGHOZQXVQISDC-IBGZPJMESA-N 432.590 2.211 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cocn2)C1=O 730720138 HCGGDGSSPAKTIQ-INIZCTEOSA-N 437.472 2.152 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@]2(C)CCOC2)C1=O 733075696 UVSDZVVMYFOLAV-UWJYYQICSA-N 436.553 2.252 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 742501408 UBOWAAXGKWLEJM-NQIIRXRSSA-N 444.576 2.335 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C#N 752381303 HIYRMIVVIFSDJZ-UHFFFAOYSA-N 435.484 2.410 30 10 IEEE Cc1noc(C2CCC(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 753308747 IQJUDEGORBIMTN-UHFFFAOYSA-N 431.518 2.039 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)c1ccccc1 755836193 NTSAJLHFIJPMGR-SFHVURJKSA-N 429.542 2.178 30 10 IEEE CN1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccccc1 759956773 OWDBAHPGNKRVCA-GHTZIAJQSA-N 426.542 2.067 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 767400176 TZGWZQAMDCBCED-MRXNPFEDSA-N 428.514 2.046 30 10 IEEE C#CCN(C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774188021 RJEJMEFQUYXVEO-NHCUHLMSSA-N 445.585 2.003 30 10 IEEE C[C@]1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCN1Cc1ccccc1 777899821 VIANZRLTQNCIMC-HSZRJFAPSA-N 440.569 2.286 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CCN1C1CC1 778611357 GVHHBWDUNUYHOZ-MSOLQXFVSA-N 446.935 2.425 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N=c2cc[nH]c(C)c2Br)ccc1F 782919268 UJXYJMNHKMIKEI-UHFFFAOYSA-N 428.283 2.430 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)n1 788695732 ZZAJABVZVIJTPX-UHFFFAOYSA-N 445.950 2.164 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)C(F)(F)F)cc1 789050378 UGVJTDGTJIHJSN-ZOKHCUHISA-N 436.456 2.324 30 10 IEEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC1CCN(c2ccccc2C#N)CC1 792199092 HMJLMWGYALLGEY-NRFANRHFSA-N 448.445 2.275 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(F)cc1 812875283 PRMYLUVEDRGRCR-PZJWPPBQSA-N 445.516 2.457 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)cc1F 813689087 AIBHTSIQYBKBIM-GOSISDBHSA-N 445.472 2.266 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916776323 ZKSRSIIINGEZSA-SFHVURJKSA-N 443.500 2.125 30 10 IEEE COc1ccc(-c2noc(CCC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)n2)cc1 916777668 OQTVZRSXNYCQKC-UHFFFAOYSA-N 426.454 2.196 30 10 IEEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704664 WQTNVKPDXINNCC-QGZVFWFLSA-N 439.472 2.404 30 10 IEEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(-c2ccccc2C#N)c1=O 917795628 RMVRFQDETISIPC-UHFFFAOYSA-N 445.548 2.239 30 10 IEEE COCCOc1cc2c(cc1C=NNc1ccc(S(=O)(=O)N3CCCC3)cn1)OCO2 920751400 XLRSRCBGGPXZRV-UHFFFAOYSA-N 448.501 2.066 30 10 IEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccco3)n2)s1 1084076082 QBSMKIXNSIAVDU-UHFFFAOYSA-N 440.536 2.165 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1134997949 ZSVBQQJYBCHTAM-SUMDDJOVSA-N 441.475 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136822098 RYZALQLBCUTPNZ-CYBMUJFWSA-N 425.482 2.252 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)Cc1cccc(OC(F)(F)F)c1)c1cc[nH]n1 1137446170 IXKLEXUQNGCJHQ-UHFFFAOYSA-N 428.367 2.251 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 1137593198 OFEYBZZRWQOFTG-HBMCJLEFSA-N 429.561 2.292 30 10 IEEE CC[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H](C)S1(=O)=O 1140280646 XAFYMACZHVWLRT-YFUGFCHXSA-N 439.578 2.197 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2nnc3n2CCCCC3)C1 1141336527 JDBWZNNRRCYVFY-UHFFFAOYSA-N 443.349 2.434 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)ccc1F 1143289097 CHMOSUCFUMURNC-HXUWFJFHSA-N 441.488 2.196 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CC1 1175854327 PXMKPKXCKXSGHI-UHFFFAOYSA-N 428.529 2.467 30 10 IEEE N#Cc1ccsc1N1CC[C@H](N2CCn3ncc(I)c3C2)C1=O 1176420975 AIZATQLMYWSIKR-LBPRGKRZSA-N 439.282 2.042 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(Cc3cccc(Br)c3)C2)c1 1184393569 MDCRSNFDLSOXLI-UHFFFAOYSA-N 448.342 2.300 30 10 IEEE N#C[C@]12CN(Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@H]1CS(=O)(=O)C2 1198337866 XMUGMIYGAFYQKY-KBXCAEBGSA-N 433.331 2.276 30 10 IEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C2 1216704770 FPRVHSGUHRNASJ-ZIAGYGMSSA-N 445.501 2.182 30 10 IEEE C=CCN(C(=O)[C@H](C)S(=O)(=O)C1CCOCC1)[C@@H](Cc1ccccc1)C(=O)OCC 1269213883 ADQUCXIBNZENKV-PXNSSMCTSA-N 437.558 2.158 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1286347207 IIMSAULCDPMZMF-NRFANRHFSA-N 431.544 2.227 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1286390668 DPEWGRJIRUIRAH-GOSISDBHSA-N 431.537 2.173 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cc[nH]n1 1286461809 YBFYDZMKADOTCS-LJQANCHMSA-N 437.479 2.062 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OC)CCCCC2)CC1 1286485201 FPGLRYPSSUEREW-PMACEKPBSA-N 431.581 2.107 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286606875 FFMHBMDRYKAQJS-GOSISDBHSA-N 427.553 2.014 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286786471 SYCVYWNAYOCUFW-UHFFFAOYSA-N 442.951 2.464 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1286803635 FITKETBJRPSKEV-SFTDATJTSA-N 441.624 2.339 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1288526186 SPCJFUFVCVGDFZ-QFBILLFUSA-N 435.507 2.486 30 10 IEEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1C 1289762488 PAYUYOGFLYBPFB-YYAJDYIMSA-N 435.546 2.317 30 10 IEEE C[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1291296407 LYOTUNPOGIEQGD-QFBILLFUSA-N 431.562 2.360 30 10 IEEE C#C[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1298586248 RQFBPROGECYCGO-ROUUACIJSA-N 430.526 2.006 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1300492563 NNGMGMODDHBIBT-IBGZPJMESA-N 442.589 2.072 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1300700272 NQFNXJWFKBXAOY-YLJYHZDGSA-N 444.530 2.118 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1300788203 UGHWHJVVUSYYEL-BHIFYINESA-N 433.622 2.360 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300889696 DFPGQAUJGJKZNN-NOXFTYBFSA-N 444.624 2.249 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccsc2)CC1 1300997325 UJWPPXLKVGRFQW-UHFFFAOYSA-N 444.605 2.377 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301652542 NBOMYENBNNPHSF-IBGZPJMESA-N 426.521 2.118 30 10 IEEE CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1301748903 DXQVNUBCAWJCJE-KRWDZBQOSA-N 434.500 2.470 30 10 IEEE C[C@@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1305237566 FAXLANGVWNNTQK-IWHJNQCMSA-N 444.586 2.399 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)c1 1315561298 VHSUZRMQXDWXPE-HXUWFJFHSA-N 432.550 2.023 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1315966768 HMXMNDRXIAAFTG-QHCPKHFHSA-N 435.532 2.259 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(C)(C)O)c1 1316098423 SISOHFKZWMRMIJ-UHFFFAOYSA-N 440.548 2.156 30 10 IEEE COCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1316264086 OVCGBCFQYDEOBM-QAPCUYQASA-N 435.912 2.463 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1CCN(C(=O)OC)CC1 1316271918 IOJJBMGWNVRKMZ-NJAFHUGGSA-N 434.541 2.219 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC(F)(F)F)CCN1C1CC1 1316540289 JDXIIFNLYGVMMB-KRWDZBQOSA-N 435.454 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358892901 JPZXADYNVCDKOJ-WIYYLYMNSA-N 440.567 2.409 30 10 IEEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1358909121 VBTPREXEBYVBPM-QGZVFWFLSA-N 446.349 2.462 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCCC1(C)C 1359019420 UZDPUAOCQHQSLD-GOTSBHOMSA-N 434.581 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(CCC)CC1 1359296633 PLGCKULMMDUDDY-UHFFFAOYSA-N 440.548 2.287 30 10 IEEE CC(C)Cc1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359812582 OLQXVBJUQPKWKB-ZREAOVPFSA-N 441.580 2.068 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435066372 SVXGJPUDPCFDAK-FXAWDEMLSA-N 438.915 2.380 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(SC)c(C#N)c3)C2=O)cc1 1439243810 DCIQBQSBIFZAAA-QFIPXVFZSA-N 438.509 2.372 30 10 IEEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1452694371 SOFWRJJTRXKORG-UHFFFAOYSA-N 446.555 2.464 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n(-c2cccc(F)c2)c1C 1460603373 CAJGJROJFPKBPG-GOTSBHOMSA-N 437.475 2.028 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CCN(CC(F)F)C3)c(C#N)c2N)cc1 1470560341 ZNZXLDMQDWZLPL-OAHLLOKOSA-N 431.491 2.206 30 10 IEEE COc1cnc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1O 1472259150 VUWBJWHGBROSLV-MRXNPFEDSA-N 430.486 2.246 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478902055 PJJULNIELYUHPX-NQIIRXRSSA-N 441.576 2.095 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1479278128 YNRJEFQVSQERAA-FGZHOGPDSA-N 447.539 2.243 30 10 IEEE CCN(C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1501494347 CUMZEANDRSUJLP-YLJYHZDGSA-N 444.605 2.419 30 10 IEEE CCO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1502611009 DOFUYXXIAGPLFW-DBXWQHBBSA-N 447.536 2.400 30 10 IEEE COC(OC)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1504010752 XZSSNXZCVAEVQR-IIBYNOLFSA-N 428.468 2.011 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 1507602982 RXSUKLZDZIICSL-KRWDZBQOSA-N 444.967 2.305 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634207 MGBZKNPTWBWTRQ-VQTJNVASSA-N 446.548 2.060 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635014 OZAPEJMVBGYPIP-APWZRJJASA-N 447.630 2.040 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(OC)C2CC2)CC1 1507732571 PTVLECCWWCSCBO-DEOSSOPVSA-N 439.560 2.436 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507750373 SEABYRJBUABMQT-QGZVFWFLSA-N 430.578 2.067 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1507859918 GWYDKVPYTURJJJ-GOSISDBHSA-N 446.983 2.361 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CN2CCOCC2)CC1 1507873511 LFFBWWTUVBEUNL-OALUTQOASA-N 439.988 2.303 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1507887750 GTEPVBCZQAEICG-UHFFFAOYSA-N 444.561 2.213 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1507933915 BSGZDQXQHPEMTQ-MRXNPFEDSA-N 440.595 2.060 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(C)CN(C)C1=O 1507998430 PVQJIWKIOMWFLB-HSZRJFAPSA-N 433.516 2.415 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC 1508040540 ZBNKHQGXUKZGSH-IAGOWNOFSA-N 439.557 2.260 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1508231728 IICLGZYSEJYZRS-HXUWFJFHSA-N 438.532 2.214 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1510584921 OFVJUYMARRKNBE-FGZHOGPDSA-N 426.496 2.394 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCOCC2)cs1 1511528672 GUXLMQXVEAYAAQ-FQEVSTJZSA-N 433.557 2.188 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC[C@@H]1C 1518635858 QFDANFKVTQGSPP-PYDOFHOQSA-N 441.532 2.130 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2=O)cc1Cl 1521127918 BLUSJTLKLXOMHW-IRXDYDNUSA-N 443.935 2.361 30 10 IEEE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1537678743 HGZOKUDIHRZVRS-UHFFFAOYSA-N 431.518 2.348 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)nn2)CC1 1538582931 KCEXCODLGKHZCD-UHFFFAOYSA-N 445.520 2.328 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1538977999 ZJXSNWVUCRCNJM-JPYJTQIMSA-N 431.581 2.425 30 10 IEEE C#CCCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539140778 QWCQCTOXLHWDAM-QPPBQGQZSA-N 445.608 2.281 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OCC)c(OC)c1 1539337316 GTZCUMIIPXXXFG-UHFFFAOYSA-N 441.532 2.438 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(C)[C@H](C)CC)CC1 1539434414 LISVZTOBEKYUFF-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C(C)C 1539552248 MCYWWHIHLJEVRF-JOCHJYFZSA-N 426.521 2.160 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1539751291 KEHPOVRKQORWLU-ZWKOTPCHSA-N 426.583 2.026 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1539786999 FGBYFNUQKHFPSY-UHFFFAOYSA-N 435.912 2.010 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1539985757 QAFXIZWHLSJWGL-IRXDYDNUSA-N 432.502 2.429 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1540047801 MLXVDPMIPPGPBV-ZDUSSCGKSA-N 447.483 2.500 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1)C1CC1 1540095282 YYDDSEGVFXBCDW-UHFFFAOYSA-N 438.576 2.452 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1540127873 XSCDPXSBWOPFMY-IBGZPJMESA-N 440.573 2.463 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1541105151 MPBOCANFORSSKN-UHFFFAOYSA-N 428.489 2.199 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541457054 PEWOCQZQXARIJO-HTXRYDERSA-N 428.537 2.008 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1 1545773877 WZBQQVIGSRFDHG-QGZVFWFLSA-N 443.500 2.086 30 10 IEEE C=CC[C@H](CO)CNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1546310348 FFYQKNGUWFTATD-KRWDZBQOSA-N 436.508 2.283 30 10 IEEE Cn1cncc1C(=O)N1C[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@]2(CO)C1 1548366345 UFHUDVICUJYCKZ-QRWLVFNGSA-N 433.434 2.272 30 10 IEEE CCOCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548380337 WYRXYQZUMSOVMI-QGZVFWFLSA-N 438.450 2.286 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1554980183 VLVALIVYVSAOPM-DLBZAZTESA-N 435.431 2.019 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)n(C)n1 1556415335 PTNQFXRPEKPUTN-IBGZPJMESA-N 429.565 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457830 QUCFQJLGMXBLNC-OALUTQOASA-N 439.516 2.363 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3Cc4ccc(C#N)cc4C3)CS(=O)(=O)[C@@H]2C1 1557206481 HWKAXCIQBQDWPO-GUDVDZBRSA-N 445.541 2.071 30 10 IEEE C=CC[C@H](CO)CNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1563053020 NWVQJEZQHINQPP-ZDUSSCGKSA-N 425.327 2.034 30 10 IEEE O=C(NCCOC(F)(F)C(F)(F)F)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1565298292 DWSHFUBVIUKOAU-WPRPVWTQSA-N 448.332 2.309 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)n1 1568521975 POCURLZPLHFFRI-UHFFFAOYSA-N 433.534 2.286 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1570148084 DNEAJROPFUGINN-DLBZAZTESA-N 439.553 2.435 30 10 IEEE C[C@H](CC(=O)Nc1cccc([C@H]2CCC(=O)N2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1570372772 VJHKCMLZLAAFGF-CXAGYDPISA-N 426.498 2.094 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1587316769 CQXFZKJVTVBCGG-SFTDATJTSA-N 441.576 2.210 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587865079 HZPHUWSQJGHQDL-INIZCTEOSA-N 435.981 2.406 30 10 IEEE CCN1CCN(c2cc(N(C)C(=O)c3cnn(CCC#N)c3C)cc([N+](=O)[O-])c2)CC1 1587903716 QYDNVMMADMLMCT-UHFFFAOYSA-N 425.493 2.432 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1587904874 QQGYBQBPGIPYSX-UHFFFAOYSA-N 437.548 2.030 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)OC 1588140401 WLWMNDLCEYYEAG-QZTJIDSGSA-N 431.537 2.084 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O 1588166396 FYMMHSCLORXPGN-QGZVFWFLSA-N 430.505 2.036 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSC(F)(F)F)CC1 1588864440 DIFCPIXPEHOMKJ-UHFFFAOYSA-N 427.500 2.148 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCNC(=O)C(C)C 1589558954 NDAIUJYRQSGBIP-TZIWHRDSSA-N 426.565 2.454 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOCC1)c1ccccc1 1593799962 HRGBTWUNNAPELR-VXKWHMMOSA-N 441.576 2.484 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595522637 HNXJURXAOAJEHH-INIZCTEOSA-N 428.512 2.127 30 10 IEEE Cn1ncc(I)c1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1596978981 UUQPYJPLLCSGJI-GFCCVEGCSA-N 436.257 2.008 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1610269798 FZIVWIDCFDNBNA-CVEARBPZSA-N 448.618 2.475 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(O)Cc1ccccc1Cl 1611648588 AVZKLRDZHIQXKV-UHFFFAOYSA-N 440.905 2.401 30 10 IEEE Cc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1612269940 OXDHRWRWYWMBCY-NRFANRHFSA-N 431.562 2.445 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1615918946 NXUXCGCBXCAEIS-UHFFFAOYSA-N 425.537 2.273 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC2(C)C)C[C@H]1O 1618888147 FEYHTAISALZQII-ZIFCJYIRSA-N 439.516 2.135 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Cl)n2CCCn2cc(CO)nn2)C1 1620346577 DEIFSCOVTLDDQW-LJQANCHMSA-N 430.875 2.215 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H]3CCCN3C[C@@H]2CO)n(-c2ccc(F)cc2)c1C 1620559778 BXHQCGATBNEMQB-VQTJNVASSA-N 425.508 2.184 30 10 IEEE O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)N[C@H]1CCN(O)C1=O 1624906656 PIIAPESHCHFAHW-INIZCTEOSA-N 432.274 2.350 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C(=O)OCC)CCc3ccccc32)s1 1628211890 JGIZRYRSNCBGII-OAQYLSRUSA-N 448.566 2.276 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nccn1C 1628352272 YTAWTEMWVIOGLH-JXFKEZNVSA-N 437.525 2.059 30 10 IEEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1628895314 SGJNSOYXOSOTLC-XFWGSAIBSA-N 426.492 2.098 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 1629305925 VTCGHOHIKUVLGD-UHFFFAOYSA-N 440.266 2.287 30 10 IEEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)C(=O)OC(C)(C)C 1629673522 FNTHUEUSIVSHSW-UHFFFAOYSA-N 439.534 2.144 30 10 IEEE N#Cc1cnn(C(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)c1N 1630732191 FKKLXUPZQZAGQM-UHFFFAOYSA-N 426.156 2.387 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)cc2)c1 1636756543 SVBYBIRHBZPCPN-NRFANRHFSA-N 438.553 2.135 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCc2nnnn2C)c1 1639116693 NZVXXBLZQKPEMP-UHFFFAOYSA-N 446.920 2.175 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1639422734 AUEPIBFBFUIFDX-HSZRJFAPSA-N 444.532 2.202 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1 1641405410 SXRKHIJCFNHAAZ-UHFFFAOYSA-N 435.546 2.280 30 10 IEEE COc1cc(C(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)ccc1OC(F)F 1641579994 FXWSSVGFGLCCNU-UHFFFAOYSA-N 430.411 2.221 30 10 IEEE C=CC[C@@H](C(=O)OC)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1645311417 AGAAQPRQIKAXBX-HNNXBMFYSA-N 434.352 2.422 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)cc1 1649427712 JXRPWUSJEGQVQF-HSZRJFAPSA-N 435.528 2.407 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)CCO2)cc1 1652919149 GFWDIGQDZCHINY-JRPXNJEYSA-N 426.494 2.427 30 10 IEEE C#CCN1CCC(NS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)CC1 1664311382 FLQHMDNSLWNZOQ-UHFFFAOYSA-N 440.363 2.100 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)C1 1665214337 BPGKGLBVHQVPBM-QGZVFWFLSA-N 436.578 2.335 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)C1 1670187150 HQPHVCXWJSASJA-GOSISDBHSA-N 447.557 2.043 30 10 IEEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1671583080 XQIKDMMSCVMXTG-SFTDATJTSA-N 439.560 2.338 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1689930147 LKAIPJPUNARFAG-QKNQBKEWSA-N 425.581 2.448 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1CC 1690000130 SDGLJRJNRPAISC-HXUWFJFHSA-N 438.963 2.419 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1cccn(CC)c1=O 1690026813 MGQNSZLQECDOGZ-UHFFFAOYSA-N 431.496 2.168 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCCn1cc(CO)nn1 1690214325 FSAGHMJLEAVXKP-JOCHJYFZSA-N 439.495 2.162 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1690244097 SWWWGMKCXTUBMT-NSHGMRRFSA-N 428.537 2.347 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCOCC1 1690607791 UBVGCKYQTJHMMW-UHFFFAOYSA-N 436.516 2.335 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C[C@H]1CCOC1)C1CC1 1690672600 XIQYJIVZMSVACG-OAHLLOKOSA-N 431.487 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1690724456 PNJMGMIETCOWIZ-ICSRJNTNSA-N 446.573 2.269 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690753003 XLSCCFDKTSWJFP-NTLWEQJWSA-N 438.594 2.306 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1692664566 XGTPHZNKKLBZDG-MRXNPFEDSA-N 427.509 2.249 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1694415630 BYWNITUPSPFYJK-UHFFFAOYSA-N 432.532 2.484 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1695805185 BYYQTSUVVLRAPK-CSIMIJJJSA-N 429.569 2.021 30 10 IEEE CCSCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696559136 UYCWGWXZRJYWQZ-UHFFFAOYSA-N 441.561 2.192 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC(=O)NCC(F)F)c1 1705503874 HLCRPGXKYRPIEC-CQSZACIVSA-N 432.475 2.229 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705564854 RBENQBNYEUHCDY-GOSISDBHSA-N 445.589 2.117 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1705574773 MZIIQJPBTJVHNF-HSZRJFAPSA-N 445.564 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccccc1Cl 1705587928 OROKFOUXHLRWOD-QFIPXVFZSA-N 427.936 2.440 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2=CCCOC2)n1 1705631991 ULGZJDQGXUVCTP-OAQYLSRUSA-N 440.548 2.349 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1705638561 OMNIXUXQNDSRER-UHFFFAOYSA-N 425.533 2.375 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705692614 OEIGOXZQYADWDE-CZUORRHYSA-N 431.356 2.053 30 10 IEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1705852227 XFISTWZFUFGDFT-QFIPXVFZSA-N 426.521 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1705898434 LQCPTHLFWVCMNN-UHFFFAOYSA-N 435.532 2.373 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCOC2(CCOCC2)C1 1705899246 MGAVNMNLOLRFDM-UHFFFAOYSA-N 431.924 2.287 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC2(CCOCC2)C1 1705907042 YIKIOQMFVWAEKB-UHFFFAOYSA-N 425.533 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cn[nH]c2)C1 1705919646 HVDWKWUIKOTKRT-SFHVURJKSA-N 442.545 2.096 30 10 IEEE CC1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1706947170 CISYYLFNXQVMNT-UHFFFAOYSA-N 429.546 2.135 30 10 IEEE C[C@@H]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1708012506 BSXACTAVKZEUBG-AEFFLSMTSA-N 428.562 2.335 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1709581575 PIJWUJKLNRGZBS-FQEVSTJZSA-N 426.521 2.260 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN(C)C(C)C 1710739858 FNUPBXUODZMQDI-UHFFFAOYSA-N 425.581 2.349 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)C1=O 1711272988 XIDIIWXAROFGBT-HSZRJFAPSA-N 433.516 2.337 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1722276673 JHTXMZPKRANSLN-VXGBXAGGSA-N 445.467 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C(C)=O)CC1 1722299874 URWQDCYNBSKMNX-HXUWFJFHSA-N 438.576 2.096 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1722354247 BISNJEIKVMGTNU-KRWDZBQOSA-N 442.520 2.108 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722354276 MTCFKFUQMNTZSV-KDURUIRLSA-N 435.576 2.474 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCNC(=O)c1cccs1 1722360928 ASXFENCPUHLWLC-UHFFFAOYSA-N 425.514 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1722402555 CRDAPECUZQGHQZ-TVJXPIDLSA-N 426.561 2.406 30 10 IEEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722537408 AGCBDHJPOFAEOX-NZQKXSOJSA-N 444.580 2.088 30 10 IEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nnn(C)n2)CC1 1722580954 QEVZYWBEAGIIRG-IYBDPMFKSA-N 443.556 2.023 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722623415 USNMGBWCZZPDFL-CVDCTZTESA-N 447.580 2.113 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1722659586 XQBBFDGXGNNSNZ-IBGZPJMESA-N 440.573 2.349 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1722678405 PVCMVYMTXOULAJ-GOSISDBHSA-N 443.548 2.076 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(C)(C)OC[C@@H]1C 1722694921 MFAWNPWHGIRAJP-HNNXBMFYSA-N 427.505 2.022 30 10 IEEE CC(C)Cc1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723279945 BGALOUPURZVOPF-JHBCHSCWSA-N 428.537 2.008 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1Cc1cccnc1N1CCOCC1 1723779082 GOMALOXQSUBCBF-SFHVURJKSA-N 432.532 2.282 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1728802147 GJFMGSNZSPRAGH-XZOQPEGZSA-N 438.532 2.207 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)NCc1ccco1 1729091691 HNFHFZOTROJMPJ-QUCCMNQESA-N 434.500 2.468 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1740629756 YONLYUHWUQGKAI-ROUUACIJSA-N 442.564 2.163 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CN(C)CC)c2)CC1 1740696196 OBVVVFPMARSRFK-HSZRJFAPSA-N 436.604 2.427 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(C)COCCO2)CC1 1740704207 LVZYKGJVFMDWJC-XMMPIXPASA-N 437.544 2.025 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(F)c2)CC1 1740706774 CDDIGLVBWWWKIY-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740709797 LRAQFUNRSIPFDF-LJQANCHMSA-N 430.622 2.193 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740721730 RQGJDPNLDROGIN-GOSISDBHSA-N 440.573 2.054 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740760597 QIYKBQMYOGSILR-UWJYYQICSA-N 427.553 2.045 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccsc2)CC1 1740833938 ZLYCDLFZFXTPHQ-AUUYWEPGSA-N 439.607 2.260 30 10 IEEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1741858333 COMZAWPNRFHSTM-HXUWFJFHSA-N 444.587 2.408 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCN2CCOC[C@H]2C)c1 1748692697 LOLNVPMZBOZANG-GOSISDBHSA-N 447.543 2.050 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748836232 RZOVREGGONBKDV-LJQANCHMSA-N 442.523 2.061 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1748906958 DQLSIXMDTNKYKK-QHCPKHFHSA-N 435.532 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C1CC1)N(C)C 1748949536 DASFYJHTOOTLAN-GOSISDBHSA-N 449.397 2.472 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1749129902 HZPAYMBCOUBVNQ-WKRCXCSHSA-N 438.594 2.167 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749204564 JZNZLYBWQMYMDY-OAQYLSRUSA-N 432.546 2.457 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1749551244 SYWNQHYNUMFXEF-KRWDZBQOSA-N 431.562 2.415 30 10 IEEE CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1749894343 BRZGALFUOQJSBL-UHFFFAOYSA-N 446.515 2.326 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760160132 ZNHDZYJGGVIKHI-OKZBNKHCSA-N 444.580 2.425 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190275 VDJLCDUYXDKVCI-XLIONFOSSA-N 438.557 2.109 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CCC)CC1 1760248181 CVBTUEQGDFMRMK-UHFFFAOYSA-N 442.564 2.214 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1760258181 QRVRMACLTCEYNL-QFIPXVFZSA-N 439.608 2.165 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCNC(=O)C(C)C)CC1 1760258758 RNTKQSSQZBHLBF-UHFFFAOYSA-N 445.571 2.411 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760280842 VKNSWRZECPQFCR-KRWDZBQOSA-N 433.603 2.418 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760334163 SULOHYBKIISXFT-IBGZPJMESA-N 426.569 2.080 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760351539 HBDVFZVRMVWCPU-SFHVURJKSA-N 426.521 2.102 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1760495218 HYXTZJYOZYBZMF-QGZVFWFLSA-N 435.594 2.007 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760525220 XXVFASVUBDDHTL-KXBFYZLASA-N 431.487 2.455 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1760566141 MKFCIFIHAQRJGY-AWEZNQCLSA-N 427.621 2.235 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(CC#N)CC2)n1CCn1cncn1 1768995754 MBRJTJGPQWBVQB-UHFFFAOYSA-N 444.341 2.468 30 10 IEEE COC1(C(F)(F)Cn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)CCOCC1 1769697765 JXGHDZURNGAEAN-UHFFFAOYSA-N 435.479 2.249 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C/C=C/c1ccccc1 1769845549 NRDJSQDYUCCCGZ-SQUITACLSA-N 429.546 2.260 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1770910992 ABNJRFBULBZPMC-GOSISDBHSA-N 436.520 2.261 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2CC2)c1 1771112578 SNUJBVPRUMFTDY-FQEVSTJZSA-N 443.573 2.472 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(C)=O)nc1 1771179556 WOCRZEUXUDLEPO-OAHLLOKOSA-N 427.509 2.144 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 1772792757 NGLXKONBTOOMFH-UHFFFAOYSA-N 426.406 2.126 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1772891793 RKWWWCXEDFCJOB-UHQTYDMFSA-N 435.463 2.137 30 10 IEEE N#C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C[C@@H]1c1ccccc1Cl 1848726203 AYAKSTMVXBOAGK-CJNGLKHVSA-N 429.885 2.250 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@@H]1CCN(C)C1=O 1848983943 ZBMXVDVIHGNONE-WOJBJXKFSA-N 447.601 2.319 30 10 IEEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)O[C@@H]2COCC2(F)F)cc1 1851621214 XGIHXVLPIIWTTK-ZWKOTPCHSA-N 436.436 2.025 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc(N3CCCC3)nc2)cc1 1851999621 LFKRMVAXIYIXFS-QFIPXVFZSA-N 436.512 2.490 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2c(F)c(F)nc(F)c2F)cc1 1852406009 FZALANWLEABBFJ-CQSZACIVSA-N 439.365 2.446 30 10 IEEE C=C[C@H]1CCCCN1[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1=O 1855405818 YYLBUWZZGBEVHW-FXAWDEMLSA-N 434.558 2.417 30 10 IEEE N#Cc1cccnc1OCC1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCS3)C2=O)CC1 1855594523 YQXRQMVLPPEVKI-RTBURBONSA-N 428.558 2.457 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(CCn3ccnn3)C3(CCCC3)C2=O)c1 1857503349 DFVVJKLTPYEBPB-UHFFFAOYSA-N 426.908 2.295 30 10 IEEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(CC)CC1 1868795895 NZMNLXKOUUQPGD-RTBURBONSA-N 431.606 2.084 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 1870149676 NGQQSVIJWCRJGY-INIZCTEOSA-N 446.467 2.143 30 10 IEEE N#Cc1nnn(-c2ccc(Br)cc2)c1NC(=O)CNC(=O)c1ccccc1 1870152489 VRJVETCBQRXZQU-UHFFFAOYSA-N 425.246 2.270 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCC)cn1CCCCN1CCCC1 1870533256 CQIIGKQPMBJCLP-UHFFFAOYSA-N 430.593 2.413 30 10 IEEE O=C1CCC(C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2Cc2ccco2)=NN1 1873766119 PFOPVCFNCJRGQK-UHFFFAOYSA-N 435.465 2.025 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C[C@H]2COCC[C@H]21 1886248093 CAMVXOATADJTEN-JKIFEVAISA-N 430.457 2.403 30 10 IEEE C[C@@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)n1nc(-c2ccccc2)ccc1=O 1891450217 YEXMVRPPZBHXHM-KRWDZBQOSA-N 444.495 2.451 30 10 IEEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)co2)no1 1891717239 FHPKRUVAOXAZGV-HNNXBMFYSA-N 436.428 2.421 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccc(C#N)s2)cc1 1891779088 HAIMCJQEGOLDOX-IBGZPJMESA-N 446.554 2.438 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)C#CC(C)(C)S(C)(=O)=O 1901304300 MWQVCPTYEYQWKA-GOSISDBHSA-N 436.574 2.407 30 10 IEEE CC[C@H](C#N)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 2060786147 QIGQAVKJVLPXKP-OAQYLSRUSA-N 443.592 2.460 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2080221987 UZVOVQRYEAQNDR-SFTDATJTSA-N 442.560 2.497 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)nn1 2132686408 JHURMLNMNJTYIL-INIZCTEOSA-N 447.345 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224103836 XURPRECJGGLFDG-NVXWUHKLSA-N 433.358 2.411 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2247904431 OGPFRPLYFPEQIV-STQMWFEESA-N 440.293 2.035 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247923278 VWQNGERCKRMMJM-MRXNPFEDSA-N 432.351 2.092 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)C1 2255200461 HXOBUAAVRUKYNY-ISISGCMPSA-N 441.572 2.436 30 10 IEEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255534859 MXGYECZPQJDWFP-LLVKDONJSA-N 447.288 2.116 30 10 IEEE Cn1nc(C(=O)NCCCCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255625930 YUQDNZRKCFCZHS-UHFFFAOYSA-N 436.362 2.144 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C(=O)OC(C)(C)C 2255628297 GIVJVWLZBWNGDK-KBPBESRZSA-N 434.346 2.179 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255633309 ZAHLUUUSXUAXKQ-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255647108 TZDUEEIXBCHHGM-MNOVXSKESA-N 447.288 2.114 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255647688 CFLPFGSWSBUDOH-RYUDHWBXSA-N 430.232 2.108 30 10 IEEE C[C@@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)N(C)Cc1ccccc1 2255820282 NUJZPSFHBKDCBN-KRWDZBQOSA-N 426.370 2.360 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256628309 GSNHFJDGBXHQPL-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256914156 VHHOZDVXLQKSDB-CJNGLKHVSA-N 446.334 2.231 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12 2267267869 ZSICKZCGXMFYQO-GVDBMIGSSA-N 445.369 2.452 30 10 IEEE CN(Cc1ccccc1)C1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1 2267497990 HIXQEHGTNYEXRE-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCCCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521969 SCVSNLWFSXVDJM-UHFFFAOYSA-N 446.357 2.325 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267549624 NYBFTGZFOCIVME-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@@H]1COC[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N1C(=O)OC(C)(C)C 2268645545 FUZIGTWRVCLFDA-CABCVRRESA-N 447.341 2.344 30 10 IEEE Cn1c(Br)nnc1CCNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280772158 TXQAJUSNIFYFRA-UHFFFAOYSA-N 426.099 2.066 30 10 IEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 2314457588 QOABORNKKYOARE-UHFFFAOYSA-N 446.554 2.088 30 10 IEEE COc1ccc2[nH]cc(C=Nn3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)c2c1 2321653515 JRYVGWUSLVNZCX-UHFFFAOYSA-N 440.529 2.470 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)cc1 2328371767 PKLHZRJCNWOREV-UHFFFAOYSA-N 443.485 2.040 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1 2329035104 SYWBLGMSEZQYEP-OAHLLOKOSA-N 431.518 2.158 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2334469361 NLJCPZNDRJPVLG-QILLFSRXSA-N 443.353 2.427 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2337201789 ZIVDFBYMQLVCIJ-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(N(C)C(=O)OC(C)(C)C)CC2)n1C 2337326778 XQTGKDIJWJVVHP-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)nn1 2342478908 BFJRLLWUULNWAI-BTYIYWSLSA-N 449.361 2.466 30 10 IEEE CCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 40376883 YRUYJOBRNGOCEI-SECBINFHSA-N 429.134 2.405 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C#N)c4ccc(OC)cc4)CC3)cc2C1=O 49580965 SMSCPSXBMUKFOU-JOCHJYFZSA-N 444.491 2.500 30 10 IEEE COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1csc(S(=O)(=O)/N=C\N(C)C)c1 106100769 BHMMFKNCYOAEFF-OCKHKDLRSA-N 439.515 2.279 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)nn(-c2ccccc2)c1N 106248870 HUHPHPVZVQDRPC-IBGZPJMESA-N 432.484 2.273 30 10 IEEE COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254300718 KUGUJRMVDRFOKL-MAUKXSAKSA-N 440.587 2.389 30 10 IEEE Cc1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1C(=O)N1CCOCC1 427787388 UPXLHKOJLCVORJ-UHFFFAOYSA-N 430.468 2.359 30 10 IEEE CN(C)S(=O)(=O)c1ccsc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438587578 BXOUCXUSPSYURS-UHFFFAOYSA-N 434.543 2.385 30 10 IEEE CCCc1c(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)cnn1-c1cccc(C#N)c1 439685484 ZJBYRSNZLJIJMK-UHFFFAOYSA-N 437.548 2.324 30 10 IEEE Cn1cc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2C[C@@H]2CCCO2)cn1 460905479 ZTOGUECRCDADCY-QFIPXVFZSA-N 446.559 2.442 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C#N)ccn3)CC2)cc1 477422490 KBSQPGIRHFKAFH-UHFFFAOYSA-N 442.497 2.169 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 482429772 APAREVARWXPBBS-SXGZJXTBSA-N 431.489 2.353 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cn2)C[C@@H](C)O1 487802496 PFXGJAYWCNOJKD-QKLQHJQFSA-N 436.516 2.325 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508734479 QYSOSCINYJQEHM-KRWDZBQOSA-N 426.477 2.115 30 10 IEEE Cc1[nH]nc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1C#N 508760979 FHLOSJOADMEARK-CQSZACIVSA-N 438.307 2.144 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCOc2ccc(F)cc2F)n1 512979259 BUSGEKXIZXEPFG-UHFFFAOYSA-N 429.358 2.295 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 522538514 JBIFKAGBMINOGX-CQSZACIVSA-N 442.537 2.218 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C[C@H]1CCCO1 532108740 FVOKOOYABRBLNK-LJQANCHMSA-N 448.548 2.003 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(CCO)Cc3cnn(Cc4ccccc4)c3)cc2C1=O 535279565 FPJNKDNGJYIPOC-UHFFFAOYSA-N 444.491 2.348 30 10 IEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 549670207 YEEBXIOASJPFQN-DEOSSOPVSA-N 447.543 2.358 30 10 IEEE CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)s1 569400817 ZGPLIRNPAFOORD-UHFFFAOYSA-N 429.502 2.232 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(C(=O)N4CCCC4)n3Cc3ccccc3)CC2)c1 575884445 DTNYPQRTWNODBI-UHFFFAOYSA-N 442.527 2.156 30 10 IEEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1 585827463 APNPSVMNDDYDSM-HMEQAMLRSA-N 435.524 2.334 30 10 IEEE COc1cc(OC)c(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 609394536 WAFSKRCBSOJGIQ-UHFFFAOYSA-N 425.489 2.053 30 10 IEEE N#Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](S(=O)(=O)Nc4ccccc4)C3)C2=O)cc1 611613350 QCDAJZKAORIMTM-WOJBJXKFSA-N 438.509 2.096 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc3c(c2)CCO3)c1=O 614946660 MOYZHRBHFVZFTI-UHFFFAOYSA-N 432.501 2.259 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)o1 679755606 XQYLNORXRGHDRN-KRWDZBQOSA-N 442.537 2.091 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)c3ccc(F)cc3)sc(=Cc3ccoc3)c2=O)cn1 727417611 NTXWKPUQVPRZDK-UHFFFAOYSA-N 447.447 2.421 30 10 IEEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@H]1CCCO1)c1cccs1 730144383 KJHNCPHLUJCDHU-QSJJIWQPSA-N 438.619 2.356 30 10 IEEE CCc1cnc(CCN2C(=O)[C@H](CC(=O)NC)S/C2=N/CCc2ccccn2)s1 742213693 MSSGAVMEXMSFLM-AEKNLGIRSA-N 431.587 2.322 30 10 IEEE CCc1cnc(CCN2C(=O)[C@@H](CC(=O)NC)S/C2=N/CCc2ccccn2)s1 742213695 MSSGAVMEXMSFLM-MLVIZHJXSA-N 431.587 2.322 30 10 IEEE COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)ccc1Br 742316696 NSANGESYGQVSNE-UHFFFAOYSA-N 439.287 2.465 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@H]2CCOC2)C1=O 751655452 XZPJDUWXGJSWLK-BBRMVZONSA-N 442.944 2.267 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 754438896 RDIUFWXUVQQGJG-JPYJTQIMSA-N 426.517 2.422 30 10 IEEE COC(=O)c1ccc(NN=C(C)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(OC)c1 756902064 CJPNACQZVMFYLY-UHFFFAOYSA-N 447.513 2.339 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)CC2 758503790 LJLMCPFVMUQDOD-GFCCVEGCSA-N 438.431 2.427 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)ccc1NC(=O)C1=S=CC=C1 759171676 NFZKPZRHBAWXFH-UHFFFAOYSA-N 425.491 2.202 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCOC1CN(C(=O)OC(C)(C)C)C1 763766143 DRZCFGJAFYHKDL-UHFFFAOYSA-N 426.477 2.412 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)[C@@H](O)c3ccc(C#N)cc3)cc2)C1 780895103 WKKMFNSOGKAUTG-KKSFZXQISA-N 427.526 2.329 30 10 IEEE Cc1nsc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N 798241018 PWUYXQIIMUNSQW-UHFFFAOYSA-N 426.907 2.250 30 10 IEEE COCCn1c(Cc2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802463866 CAQKTBMJFWQYCT-UHFFFAOYSA-N 434.548 2.064 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2CC(F)F)cc1 806219121 DNIMBDYOBPCQIS-PFKVCDDJSA-N 430.477 2.387 30 10 IEEE C#CCN(c1nnc(CCc2ccco2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 812356557 QCWJYZHQCQCDCT-INIZCTEOSA-N 430.555 2.393 30 10 IEEE Cc1nccnc1CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 814703391 CVWOYGTTYGJNEM-IBGZPJMESA-N 440.573 2.027 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cccs2)CC1 923144087 FXMIVJVOCWKJKE-XAUUPUKJSA-N 441.575 2.279 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)s1 1136772162 UMJMMXFFOPSVNU-UHFFFAOYSA-N 446.554 2.094 30 10 IEEE C=CCN(CCc1ccco1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1168578713 DWMHZYZQSTYKLW-GOSISDBHSA-N 447.557 2.358 30 10 IEEE C#CCCN(CCOC)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1196393445 MOVMJENSICQLRW-UHFFFAOYSA-N 432.874 2.374 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286291703 FIVYWUUXAFGMGE-FPOVZHCZSA-N 436.560 2.326 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286346662 BLLLGGLFCZXRNN-LEWJYISDSA-N 436.560 2.282 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)CCC 1286362712 HBJUTHPFPQJIMU-UHFFFAOYSA-N 431.610 2.348 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1286388423 OVHMRIKLJKKVCQ-KEGWNNHHSA-N 428.514 2.267 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)CC)CC1 1286478770 FZAPQMJBXLBLBU-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286484129 IQOFEJITGPLRPJ-SFHVURJKSA-N 434.585 2.119 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N(C)C2CC2)CC1 1286494467 PJURBJHKKIPMDL-QGZVFWFLSA-N 440.617 2.379 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nnn(C)n2)C1 1286800340 JTEJKYLBGICCKS-ZWKOTPCHSA-N 438.536 2.388 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1287136727 GUSAGXUKPFQKGJ-LJQANCHMSA-N 433.520 2.022 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(Br)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1289435640 CDEGQJSWCOJSJD-IINYFYTJSA-N 448.136 2.222 30 10 IEEE Cc1nc(CCn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)n[nH]1 1290462145 GYIZBLQUOOJDGC-UHFFFAOYSA-N 437.527 2.483 30 10 IEEE CC[C@H](C)c1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291499145 CPJAZYRMOVFZFG-XOMICKMZSA-N 430.553 2.307 30 10 IEEE CCc1nnc(N(C)[C@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1292812918 BNHSCBXERWCRSC-CWJYSFMFSA-N 449.559 2.078 30 10 IEEE Cn1cc(CNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 1296263867 FMOYKLYOHXSZBX-FDDCHVKYSA-N 439.516 2.335 30 10 IEEE CN(C)CCOCCn1c(C2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1298096286 MIWBUMFYWUBVPV-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1298096508 CCXAVFAGUSCWCS-GOSISDBHSA-N 440.529 2.295 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1300511778 LFSAMIJJEBGNAP-ROUUACIJSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCCN1CCC(O)CC1 1300548418 IQBXTASHKAWMQI-UHFFFAOYSA-N 435.572 2.394 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1(OCCOC)CCOCC1 1300574837 MGVIQYGKNRZVPT-UHFFFAOYSA-N 437.544 2.324 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)CCOC 1300642248 OQAHCMIZUQSCNW-HSZRJFAPSA-N 443.523 2.081 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1300760541 DIPFKLYNVBTRJH-IBGZPJMESA-N 446.621 2.266 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1C[C@H](c2ccccc2)CO1 1300901144 BZLQBMLCZSZRMU-ROUUACIJSA-N 427.526 2.194 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1OC 1301094002 KYBKVDMJNNHGBZ-FQEVSTJZSA-N 433.549 2.282 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)C[C@@H]1C 1301484751 MJDGQEXRSGTKHY-HNNXBMFYSA-N 442.589 2.245 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOCC(F)(F)C(F)F 1303359813 DWSDHZZTGMPFKR-UHFFFAOYSA-N 434.438 2.463 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)nc1 1303899705 QQXWXDJCQKUOQT-ZDUSSCGKSA-N 432.278 2.142 30 10 IEEE CCc1cnc(CCn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)s1 1305989655 HJVXLCSYKSNKJM-OAHLLOKOSA-N 431.566 2.187 30 10 IEEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1309194838 SGQWWVKHIKKBLU-UHFFFAOYSA-N 433.429 2.471 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC[C@@H]1C 1315732588 CQSHFVASBOMRJB-XKDCRVNJSA-N 438.532 2.068 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(S(N)(=O)=O)sc2C)c1 1320673295 MOHCJAZWGSYGFK-UHFFFAOYSA-N 435.527 2.424 30 10 IEEE COCCCN(C(=O)Cc1c(C)cc(C#N)cc1C)c1c(O)nc(=O)n(CC(C)C)c1N 1353674901 QEQBZYLCSOWIEV-UHFFFAOYSA-N 441.532 2.288 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CCC(S(C)(=O)=O)CC2)cc1 1357545322 ZASATSFZCSEHSF-UZYVYHOESA-N 441.575 2.041 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCCCO)c1 1358902068 DPOVISFGVNLWFT-LJQANCHMSA-N 425.533 2.391 30 10 IEEE C#CCCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358917707 YYVUPMFJJZNSIY-URXFXBBRSA-N 445.608 2.281 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1358925198 XCLJVFBQDGDXAH-HSZRJFAPSA-N 431.500 2.045 30 10 IEEE C#CCCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936135 DVGZZFDLPWJFQX-NFBKMPQASA-N 431.581 2.033 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccn(C)n1 1358984907 KHBGKSCVEAZDOI-UHFFFAOYSA-N 435.919 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCO[C@@H]1C 1358998265 XOJORWXIDGCYBP-NTKDMRAZSA-N 438.528 2.259 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1359022047 LALYISJBEQUMTE-UHFFFAOYSA-N 439.541 2.019 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1359026428 XOGGOJYCJVPJHW-SFHVURJKSA-N 436.482 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2CCCCC2)CC1 1359047333 BWXCMIUYGCXGSI-HXUWFJFHSA-N 442.608 2.360 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359096418 BJBABYNJONUVKR-FPOVZHCZSA-N 430.597 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@H]1C1CC1 1359107099 CLODWZHRAWFFFX-KNBMTAEXSA-N 425.599 2.496 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359143217 WRYSTFDQZGOHOU-MRXNPFEDSA-N 448.955 2.180 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCc1cnn(C)n1 1359256456 GCQXIXBGQKFJSJ-HXUWFJFHSA-N 445.531 2.055 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CC2)C1 1359292335 NENIHGIHIQWWSA-QGZVFWFLSA-N 442.951 2.400 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359304149 NYGHAYGVUREDHQ-YLJYHZDGSA-N 425.533 2.471 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Oc2ccccc2)C1 1359304486 ZCHXGMWNQCUFLF-NRFANRHFSA-N 449.559 2.490 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1359373220 UASVWRCBEVYLEQ-LQBOVUBWSA-N 432.569 2.173 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2S1(=O)=O 1439738562 ILZZXGCCULISJX-IBGZPJMESA-N 439.493 2.325 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1440682234 HWYLHVMJXFBTGK-MSYCTHLASA-N 446.523 2.295 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CCN3Cc3ccccc3)C2)s1 1452050223 HMYZYLHVORXYAM-UHFFFAOYSA-N 431.583 2.242 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1456872863 YCTJGOSFOMTGGS-XMSQKQJNSA-N 447.557 2.379 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1464841048 NQWIZUOWEMBROE-SOAGJPPSSA-N 448.608 2.132 30 10 IEEE COC(=O)C(C)(C)c1csc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1466639740 GHHILZBZOVZIHK-VXGBXAGGSA-N 437.522 2.474 30 10 IEEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1493050215 DXEMUGWPEHJCGO-UHFFFAOYSA-N 440.529 2.483 30 10 IEEE CCOc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1502880549 DCANSLHPJYGHQV-IERDGZPVSA-N 446.577 2.465 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1504997937 GTZNNKOGUUYPNA-OTWHNJEPSA-N 434.585 2.241 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)C)n1Cc1ccccc1CN1CCC(O)CC1 1507703001 PKKIZOWTPYLYMP-UHFFFAOYSA-N 425.577 2.493 30 10 IEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CC#C 1507750797 FKCCZUFGLZVJKO-GOSISDBHSA-N 443.573 2.026 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1507914625 NDRILYNJISPYLD-OXJNMPFZSA-N 425.599 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2)C1 1508119046 ZHANKDKFYUNMOI-PKOBYXMFSA-N 433.578 2.221 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1508421292 UMTBZKXCDZNPJC-KRWDZBQOSA-N 432.532 2.050 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2(C(N)=O)CCCC2)CCOC1 1509808303 YYSCUZLMXCFEDM-HSZRJFAPSA-N 444.580 2.494 30 10 IEEE Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1510872263 ACUAZTMISFBCAB-HXUWFJFHSA-N 427.871 2.491 30 10 IEEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1513520217 DSUXPMWLSNIVDF-OALUTQOASA-N 438.532 2.230 30 10 IEEE CCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514271183 RVVVQXNHEPIXJI-NQIIRXRSSA-N 429.594 2.362 30 10 IEEE CCOC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1516087117 HMXIBPJWTGIIKN-JOCHJYFZSA-N 439.495 2.449 30 10 IEEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1518861137 GXIZZHGLKSUWAN-GOSISDBHSA-N 431.500 2.222 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1occc1C 1519285879 SYLHFZRJCMEAEH-OAHLLOKOSA-N 438.488 2.487 30 10 IEEE CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1529772744 FJRWGNPRDJTLBA-OAHLLOKOSA-N 435.546 2.228 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1531977544 ABWOTRQWSCBTCE-UHFFFAOYSA-N 425.436 2.257 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1533371887 AUGJFSZBXOOZMX-UHFFFAOYSA-N 441.532 2.183 30 10 IEEE CC1(C)COc2cc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)ccc2NC1=O 1536335100 YENPJOOYOCHQJW-UHFFFAOYSA-N 442.497 2.488 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1536465940 BMDGEODEKRDRDR-MPGHIAIKSA-N 437.587 2.344 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1538538105 LWQWAMHBIADXTL-KRWDZBQOSA-N 444.351 2.234 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1539363548 RAPVMNPAWQTUTI-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C)nn2C)CC1 1539463270 XSSHNCJEWNAWBG-WOJBJXKFSA-N 425.581 2.042 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539984999 CNMFZDFECLUTCX-SJLPKXTDSA-N 429.546 2.030 30 10 IEEE C=CCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1540021789 YTVLXCYMUKVTLG-MRXNPFEDSA-N 438.525 2.385 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CNC(C)=O)CC1 1540867937 MVAUIEJOBXJPGP-UHFFFAOYSA-N 430.940 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1540868874 VAMVXDVKTXGCDY-ZDUSSCGKSA-N 427.459 2.383 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)CC1 1540880767 QCQNWWDFZIAPDE-UHFFFAOYSA-N 435.488 2.237 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c(c2)OCCO3)C1 1540882588 LBQLPEPEXVZAFN-GOSISDBHSA-N 441.532 2.212 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1541892631 CJNOHUZTOMQOHP-AWEZNQCLSA-N 431.493 2.390 30 10 IEEE Cc1c(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cnn1CCC#N 1543987779 HBIAIHFMPQDNAA-INIZCTEOSA-N 443.573 2.464 30 10 IEEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1544346075 CYCBUHTWVYUMMS-SFHVURJKSA-N 428.562 2.335 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1555454546 BHZBALKHIXMPQO-CTNGQTDRSA-N 441.532 2.397 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1555637464 RWEVHYNHYBMBBP-QJYZCUJWSA-N 449.552 2.371 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(NC(N)=O)cc1 1555726950 APEXREMQLXOEMF-ZVZYQTTQSA-N 427.509 2.137 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](CC#N)C3)CC2)cc1OC 1557461842 IASLMSWQXHBXSQ-MRXNPFEDSA-N 435.546 2.257 30 10 IEEE C#CC[C@@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1557769550 KAUXHPDWZGSPEY-KRWDZBQOSA-N 431.470 2.472 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)C1 1558329646 UENKIIFTFQQFIH-MRXNPFEDSA-N 443.525 2.029 30 10 IEEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)c1ccn(-c3cccc(C#N)c3)n1)C(=O)N2 1558570227 MYVZFUCWHHUNNC-LJQANCHMSA-N 429.436 2.214 30 10 IEEE N#Cc1cc(C(F)(F)F)cc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)n1 1559230633 ACDOUYGCGOKKQC-UHFFFAOYSA-N 425.436 2.129 30 10 IEEE C[C@]1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)CCO1 1560182825 QGWAUEAOKVRGCE-PDANQNNMSA-N 448.932 2.107 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)cc1 1562197820 VBQPSJKWLZKYGG-HXUWFJFHSA-N 425.551 2.182 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 1564819207 FHYOVCKLKAFNAA-QAPCUYQASA-N 430.480 2.366 30 10 IEEE C[C@H]1CN=C(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)S1 1565741436 DQIBFQDSLITRHR-IEEPAPPKSA-N 447.605 2.409 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccnc(Cl)c2I)CC1 1568994954 IDEDXHHBACMLSH-UHFFFAOYSA-N 433.633 2.259 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 1569413753 LZASWCTUDFMSQI-UHOSZYNNSA-N 433.574 2.438 30 10 IEEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CCOCC1 1584619414 AHIAKVNZHCRDRJ-UHFFFAOYSA-N 426.485 2.054 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2nncn2-c2ccccc2)CC1 1588891318 NPOVUPUSOPCIHJ-GOSISDBHSA-N 446.559 2.386 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595595045 QUCVXMJQLNHIGL-KRWDZBQOSA-N 443.523 2.430 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2(N3CCSCC3)CCCC2)c1 1595742316 RKUYFYYGFJHSPK-UHFFFAOYSA-N 425.551 2.214 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1595816903 HRYCAZTVWPOKJS-GDBMZVCRSA-N 443.363 2.004 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCS1(=O)=O 1596840054 AWFPKKJJNLNFPR-FUHWJXTLSA-N 441.561 2.080 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(F)c1F 1613594057 AYNSNIAIQJZILE-MRXNPFEDSA-N 432.475 2.446 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(OC)c1 1614028394 BZHDUUDPXGWCJB-QGZVFWFLSA-N 432.532 2.469 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC2CCCCC2)CCOC1 1616205204 GFUOEKDUQSSRCF-YADHBBJMSA-N 448.543 2.211 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1cccc(F)c1 1620110965 HBTLRYVGQQQXRX-GJJHYRHESA-N 445.495 2.337 30 10 IEEE CS[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1620194093 BWKWRWDSKUAZCH-HOTGVXAUSA-N 437.577 2.412 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccnc3[nH]nnc23)c1 1625035703 AYLBSAJKWJQAJC-LFVJCYFKSA-N 427.490 2.198 30 10 IEEE COCCCNC(=O)CN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1625786251 DKVTYTAQQVKOIC-FQEVSTJZSA-N 444.532 2.004 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1C 1626218519 JJEIBRUTJJNYBZ-HNNXBMFYSA-N 431.942 2.295 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 1626290547 DCVIUBYAUJSDOX-MRXNPFEDSA-N 448.566 2.225 30 10 IEEE Cc1nc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(=O)NCCO)n1C 1626908829 RSEADFOTGYPXTI-UHFFFAOYSA-N 433.468 2.154 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)c1ccc(Br)cc1 1628370465 SONSWXWAVOYDAK-CHWSQXEVSA-N 428.283 2.121 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1Cc1ccc(OC)cc1)c1cc[nH]n1 1628653881 WAUOFQYILBSLCQ-KRWDZBQOSA-N 428.489 2.326 30 10 IEEE C#CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)cc1 1629022462 NOMNGAFTEZYJEF-UHFFFAOYSA-N 434.539 2.405 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(I)cc1F 1630764848 SPWWTUARUADYRZ-UHFFFAOYSA-N 427.221 2.312 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(=O)OCC 1632067436 RQQXFVAJVAESJG-CQSZACIVSA-N 434.967 2.266 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](c2ncccn2)C1 1634981949 HABSCUUQLXPHJL-AEFFLSMTSA-N 441.557 2.480 30 10 IEEE CC(C)(C)OC(=O)C1(C)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1638824574 UDCATUXWMFNGST-UHFFFAOYSA-N 449.573 2.476 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 1643372243 CDMNGIOMBWXWRW-UHFFFAOYSA-N 429.567 2.204 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)C1 1643888193 IQSBVSCJIQAOPV-GOSISDBHSA-N 439.520 2.025 30 10 IEEE C=CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)nn1 1648156765 ABMFPYBSFSILFP-UHFFFAOYSA-N 436.513 2.309 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](CC)OC[C@H]3C)nnc12 1651132360 XOOPQJUOFHCJFZ-HUUCEWRRSA-N 427.530 2.348 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)C2)nc1 1652332334 UVAKTTAITZMSCW-HBMCJLEFSA-N 449.511 2.128 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@]2(CO)COCCN2C)cc1OCC 1658011192 SZPWGRRIHIIQFV-IBGZPJMESA-N 429.355 2.195 30 10 IEEE COC(=O)[C@H]1CC(F)(F)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1665050817 BWRHNQIVLPRWSV-SNVBAGLBSA-N 427.198 2.031 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2Oc2ccc(C)cc2)CC1 1668606641 XXUDZBMLJJGKRH-UHFFFAOYSA-N 442.541 2.082 30 10 IEEE C=CCONC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1681165283 BEZIPTMGDURIBK-INIZCTEOSA-N 434.541 2.473 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)s1 1682135771 CDBKNCBBFFUQRQ-UHFFFAOYSA-N 426.470 2.114 30 10 IEEE COC1([C@@H](C)NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCOCC1 1683267006 MUXROKPWQWTWNN-MRXNPFEDSA-N 426.521 2.142 30 10 IEEE C=CCN(CCOC)C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1687665866 UKCOHACQPPVNRX-INIZCTEOSA-N 425.526 2.163 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1689912829 BLLLKLYGYWHEQX-PKOBYXMFSA-N 431.562 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1690043259 VLEHNFBLSHBCGT-UHFFFAOYSA-N 435.553 2.477 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1690046712 FZAKLNZGIMEUQK-NRFANRHFSA-N 445.479 2.163 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnnn1C 1690108119 PVNHZXNQOWSRTC-UHFFFAOYSA-N 431.953 2.487 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(N(C)C)CCCCC2)CC1 1690112265 SWHOFQVTYGBWFB-FQEVSTJZSA-N 432.613 2.022 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCCOC)C1 1690175087 PTCXXUWZGVKCAB-FXAWDEMLSA-N 444.557 2.399 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1690175317 UQKBLMGSSVXULX-MAUKXSAKSA-N 428.514 2.156 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1690380376 MKVWTGFAPRMFJS-KDURUIRLSA-N 430.597 2.445 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2oncc2C1 1690662066 PUZNBQLXLZITFV-UHFFFAOYSA-N 430.415 2.399 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCCC2)CC1 1690675348 XXJPZBBQMDLJHQ-UHFFFAOYSA-N 438.576 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCSCC1 1690729362 NBJNFIJKXWEFHH-UHFFFAOYSA-N 438.575 2.020 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1694314161 DGHTZYIFWCZMRA-UHFFFAOYSA-N 449.559 2.450 30 10 IEEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)ccc1Cl 1697269500 NUNSXCFJWBRUIG-CHWSQXEVSA-N 440.957 2.194 30 10 IEEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCC1 1697801567 BYBPDQMSXIYJPN-MRXNPFEDSA-N 446.577 2.213 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1698284358 CNVPSSMLRFYOLZ-IBGZPJMESA-N 426.521 2.116 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1698489956 FFGPXRIZEFVIQX-LJQANCHMSA-N 440.523 2.410 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1705516418 AXHJVXHFEVKUCL-SFHVURJKSA-N 447.630 2.367 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705573800 OEXSSPSJYQIVRU-RBUKOAKNSA-N 445.564 2.474 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705639135 HBTTVUIIMIBGJI-NSXLHWASSA-N 439.560 2.343 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705654773 SSCSWEKNTRBZSR-WBVHZDCISA-N 442.501 2.154 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705658668 XDICVZDPCPPTLF-BGYRXZFFSA-N 438.557 2.347 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1705700874 ZQBCUSWFNGIACC-HCXYKTFWSA-N 438.594 2.167 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1705714516 UVOWMVKNNXEHNU-UHFFFAOYSA-N 447.609 2.413 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1705725847 VABIUVNNICZDQW-CQSZACIVSA-N 436.365 2.086 30 10 IEEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705816476 HUKCQJTZEMGOIY-UHFFFAOYSA-N 438.536 2.466 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H](C)C(=O)NC 1705896182 DQBBFZAYBCLNLQ-CABCVRRESA-N 444.605 2.252 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)C1 1705925099 LDPXBBIMYQWLGH-VQTJNVASSA-N 446.573 2.178 30 10 IEEE CC(C)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1\N=CC=CC1=O 1706278897 WSTICUBCGQQEPI-YGCDDZCOSA-N 438.536 2.175 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1706353037 GNJAQUJHUFMONF-HXUWFJFHSA-N 440.548 2.458 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3c(F)cc(F)c(F)c3F)CC2)c1C#N 1707807550 DPATWHFKSGSDNL-UHFFFAOYSA-N 448.428 2.431 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1708759342 FKQBPRJETQVIPI-QRQCRPRQSA-N 442.520 2.094 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1712457057 ZVHZUCKGICKIGS-LJQANCHMSA-N 441.532 2.459 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1712829201 GTJFZWSVLAJBDZ-QGZVFWFLSA-N 435.575 2.105 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[C@H](O)C2)c1 1722309124 JLRBNABLNMNHEO-RXVVDRJESA-N 447.543 2.286 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1722343977 LHBZBNCDKHQGKZ-HSZRJFAPSA-N 443.523 2.266 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1722361863 IMVYMAGKQFCCSH-UHFFFAOYSA-N 447.008 2.457 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@](C)(O)C2CC2)CC1 1722448910 CMQPQIYGCLVKOR-RUZDIDTESA-N 435.572 2.190 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722457405 CWMCNOJYSHKQSQ-UHFFFAOYSA-N 429.550 2.159 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722607912 NGSFESNYURNOPD-KRWDZBQOSA-N 448.568 2.210 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722622987 XDBVEFGZBISKTC-SBHAEUEKSA-N 432.613 2.373 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1722673315 OJKRATVZRXRHRR-IBGZPJMESA-N 433.578 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C)c2ccccc2C1 1722728098 NYYFEFFKCILOLK-LJQANCHMSA-N 445.589 2.229 30 10 IEEE CCNC(=O)C1(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1728657676 DRYLRCVCJDKVBH-VXKWHMMOSA-N 448.543 2.067 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1729715078 AVPBZLNALULVPI-AWEZNQCLSA-N 435.454 2.026 30 10 IEEE COc1cccc(OCCCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1730251616 KDTJJWZHSVTZSU-OAQYLSRUSA-N 434.500 2.470 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CCO1 1730607426 BHZBOAPONPFQRS-WOJBJXKFSA-N 441.532 2.395 30 10 IEEE N#Cc1cccc(-c2nnc(N(C[C@@H]3CCOC3)C3CC3)n2CC(=O)NCC(F)F)c1 1731180695 CHDZNFQTFYGPLI-HNNXBMFYSA-N 430.459 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)CCOC 1740652469 AIWLGPUIDQBVDW-DEOSSOPVSA-N 432.528 2.381 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2Cc2ccn(C)n2)n1 1740687450 FBFBNINMDRHOJL-UHFFFAOYSA-N 434.504 2.111 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740756667 QKILPLGIHXGGLG-ZCNNSNEGSA-N 445.589 2.444 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740845020 BOJKCAWVUITCRM-HSZRJFAPSA-N 449.563 2.486 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@H](C)O)cc2)C1 1740982477 UXRDYKBVIRNREK-PWIZWCRZSA-N 446.573 2.063 30 10 IEEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1741115194 QIQANPLJWZAIIN-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE CCSc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)ccn1 1747476182 FQDZSCCBSNOLBS-KRWDZBQOSA-N 446.602 2.475 30 10 IEEE C#CCCCn1c(N2CCN(CC(F)(F)C(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1748764368 MEZFXNFLHLETPW-LJQANCHMSA-N 447.477 2.366 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1748814169 AFELNERCIINSMZ-KRWDZBQOSA-N 444.605 2.079 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1748998802 AIUJJXSJFDABAZ-UHFFFAOYSA-N 427.512 2.236 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1749009430 ITERYBFWUMMBHO-HKBQPEDESA-N 439.585 2.048 30 10 IEEE C=CCCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1749407903 AKSDLMXEZWVRKL-SXWKCWPCSA-N 433.597 2.443 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1749561034 ZKEUAPOHEJJTDQ-MRXNPFEDSA-N 430.534 2.071 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749671916 NSZQMXQPJCMQHW-ZWKOTPCHSA-N 442.951 2.072 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749677216 RPHMWKLDKUHIIC-ICSRJNTNSA-N 425.533 2.207 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)C1 1750379016 AMQAZJICHDDBLU-LAUBAEHRSA-N 447.536 2.478 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2CCCCO2)CCOC1 1751026744 QMMNVHBPSDOOJM-NNMXDRDESA-N 433.553 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H](C)C1 1760101759 AQNNWAMRNAFPIE-RCCFBDPRSA-N 445.589 2.468 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760156946 YNWKQIOZZRIGLT-QFIPXVFZSA-N 434.588 2.220 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1760184727 YRJOMXRLVLXRKQ-AWEZNQCLSA-N 439.335 2.382 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760188742 CSOQLSORCQTEKG-XLIONFOSSA-N 434.587 2.126 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(O)(CC)CC)CC1 1760252961 ZGWWDRIJLDUDGZ-UHFFFAOYSA-N 438.576 2.454 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cc(OC)ccc2OC)CC1 1760260501 VCQFNEUVBANWQS-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760356828 XTQMQUCOEPITML-SJORKVTESA-N 448.568 2.173 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CCC1 1760514754 MPQUIJBGMUEZNW-UHFFFAOYSA-N 430.940 2.400 30 10 IEEE C=CCSCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760568490 KOPBAXNAKRQDSY-FQEVSTJZSA-N 439.582 2.126 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(F)(F)C2)CCOC1 1761291664 MUCLERNCTHVXMA-FRQCXROJSA-N 425.480 2.483 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1763450919 OCMCHOQKFQMVBM-YLJYHZDGSA-N 449.563 2.333 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCN(C)C2)cc1OC 1765967696 CATXFLYAKKGSIG-OPAMFIHVSA-N 428.537 2.015 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CCC1 1767191622 CJJCKUKOTFSNHL-IBGZPJMESA-N 449.559 2.086 30 10 IEEE CN1C[C@](C)(Cn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)C1=O 1767508382 OZQPBIOLEWSECM-HSZRJFAPSA-N 439.539 2.391 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1769084469 PZUOXNMQYFFFRY-KAVCPFMISA-N 440.504 2.234 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1770932802 AGGCHMSXULJLSR-XMSQKQJNSA-N 427.505 2.007 30 10 IEEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1771465796 SMZFQUBAZUTEJQ-UHFFFAOYSA-N 441.605 2.170 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCSCCCO)c1 1771530225 FCILEDVRPSEVBW-RTBURBONSA-N 440.573 2.180 30 10 IEEE CSCC[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1772790746 UGGLHFPGEBUWAF-DVOMOZLQSA-N 430.482 2.038 30 10 IEEE Cc1nn(C)c(Cl)c1C(=O)NCC(=O)OCC1CCN(c2ccc(C#N)cc2)CC1 1851108147 NEMZXLHIFSDMNL-UHFFFAOYSA-N 429.908 2.443 30 10 IEEE Cc1nn(C)c(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1C#N 1851309537 NWVRQRYXUWYHRQ-UHFFFAOYSA-N 425.493 2.305 30 10 IEEE COc1ccccc1-c1cc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)n[nH]1 1851791144 KMYJHUAKURBPRD-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE Cc1ccc(-n2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)nn2)cc1C 1852816418 ZVTCPRMRLXHMAR-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE Cc1nc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)nn1-c1ccccc1 1852958419 QRWBWFAEGLAIMB-QFIPXVFZSA-N 447.495 2.384 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(F)c1 1853236389 VIOVVTYSAWNPGZ-VXGBXAGGSA-N 439.900 2.127 30 10 IEEE CC(C)c1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856679238 BMBHWBVUDQIIQJ-LJQANCHMSA-N 433.530 2.265 30 10 IEEE NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2F)cc1 1860731557 VXCULCCDKOMWGY-KRXBUXKQSA-N 427.251 2.457 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862755626 FLQDICZCFRHPRF-XIKOKIGWSA-N 440.408 2.341 30 10 IEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1870962576 VOXHPRZQJRGVRC-UHFFFAOYSA-N 442.516 2.055 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc(C)c2)cc1=O 1871008170 KKNNGVCGJXTNGC-UHFFFAOYSA-N 437.521 2.477 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc[nH]1 1874432101 OLDXWJNQFJLJIM-AUEPDCJTSA-N 425.518 2.472 30 10 IEEE C[C@H](CN(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900441178 RPFQGSDZAYHIFG-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccnc1I 1985070204 ZWYYOXVSBXGMEU-SNVBAGLBSA-N 430.246 2.326 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634354 YPOPGECFZXYFQE-QGZVFWFLSA-N 434.342 2.142 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)ccc2Br)[C@H](C#N)C1 2106650873 HWHFXPUNVITZPX-GFCCVEGCSA-N 445.339 2.165 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2178284326 AMRBRDCSRHYVLH-UHFFFAOYSA-N 442.144 2.283 30 10 IEEE Cc1nc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247906721 PHWDBRWJAGTPHE-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255626916 LYFNTIUBUFGDRB-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255820872 WHTVIKDSAJJPBG-WFASDCNBSA-N 435.305 2.163 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255847635 ZDJFZPJBIBTVKA-GFCCVEGCSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255855652 RBUKQFCXQHBLMK-NUEKZKHPSA-N 431.342 2.299 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267127351 IQQHFGKWZWVBOQ-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CC[C@]1(NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267128404 QIBPMXLOXVINRW-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2267140340 BOWNMCMMNYMIMK-KMFMINBZSA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]1CC2 2267518211 AJAQZLMRNLFZSV-CWRNSKLLSA-N 446.357 2.369 30 10 IEEE CC[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267518677 GJIJENZHCCKPLB-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)O1 2268636377 CGJXHMCZKRINES-LSDHHAIUSA-N 447.341 2.392 30 10 IEEE C=C[C@H]1COCCN1S(=O)(=O)c1c(N)cc(Br)cc1Br 2285365372 QXQOBFREVOBHMC-VIFPVBQESA-N 426.130 2.369 30 10 IEEE COC(=O)c1ccc([C@H]2C(=C(O)c3cccc(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1 2296586552 HITKLSXATNTMCT-FQEVSTJZSA-N 438.480 2.465 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2318645065 LABLUFVAKJLWFU-CQSZACIVSA-N 442.268 2.088 30 10 IEEE C[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC[C@H]1NC(=O)C(F)(F)F 2322300286 RBJAITVUXJPGTR-BXUZGUMPSA-N 431.239 2.413 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc[nH]1 2330721907 QTGCEPNMKUZUBH-UHFFFAOYSA-N 425.518 2.472 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)c1 20293117 BPWQHLACWPCGNI-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE CCOc1ccc(/C=N/Nc2nc(SCC(=O)NCc3nnc(CC)o3)n[nH]2)cc1 59878991 KLFYTPYJNUMHJM-AWQFTUOYSA-N 430.494 2.003 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccccc3OC)n[nH]2)cn1 59887194 YZVGUTURCLPTQR-RGVLZGJSSA-N 444.521 2.223 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCCN(CC)CC)C2=O)cc1 96567165 VDEJCMIFFNNARO-HSZRJFAPSA-N 430.549 2.257 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1cccs1 102526270 IQNFDILSXQNFSS-LYHOESIGSA-N 443.481 2.410 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CC1 106009983 OUIHUWGEUFWBGI-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118939254 LAAFISZDLHQNFS-WMANOHRVSA-N 438.467 2.169 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 238874644 NSZNETKZFXHXML-SHTZXODSSA-N 431.474 2.195 30 10 IEEE O=S(=O)(c1cccc(-c2cs/c(=N\N=Cc3cccc(O)c3)[nH]2)c1)N1CCOCC1 254307375 AWRIRZBKZPIFNI-UHFFFAOYSA-N 444.538 2.405 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@H]1CCCO1 461369998 FEPKYIAXGFJQOY-VQIMIIECSA-N 440.565 2.353 30 10 IEEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1(C#N)CCN(Cc3ccccc3)CC1)C2=O 479290878 UFYINSHKKCIPIP-UUOWRZLLSA-N 437.544 2.162 30 10 IEEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 480319079 MBMBMGZTILHEMZ-HNNXBMFYSA-N 436.925 2.333 30 10 IEEE Cc1cccc(NC(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(C#N)s3)c2=O)c1 484429925 IUBZUTSIOKGOOZ-UHFFFAOYSA-N 449.557 2.379 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 508944562 FTQCDZPTTDOCOJ-KRWDZBQOSA-N 446.983 2.448 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCOC1 535163048 VQNXOJZTHVXYLM-CYBMUJFWSA-N 430.476 2.097 30 10 IEEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 539671426 GVLBFILNDNEWRQ-UHFFFAOYSA-N 428.514 2.460 30 10 IEEE CCC1(CC)CN(S(=O)(=O)c2cccc(Br)c2C#N)CCS1(=O)=O 553523786 MBOZQZXJBVWTNX-UHFFFAOYSA-N 435.365 2.299 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc(F)cc(Br)c2)cc1 565332364 GJWROSDKYGNCTP-UHFFFAOYSA-N 426.267 2.055 30 10 IEEE C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 589150987 WVFHVEZKFGKITC-UHFFFAOYSA-N 433.496 2.436 30 10 IEEE CCn1c(O)nnc1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 590175848 HFWMDEISTHWOMJ-UHFFFAOYSA-N 429.424 2.462 30 10 IEEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 611840986 XGEAMDYXVUINGS-ZUOKHONESA-N 441.879 2.239 30 10 IEEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@H]1CCCO1 730138149 BPEUXBQXULCHJQ-MSOLQXFVSA-N 432.590 2.482 30 10 IEEE Cc1ccc(C)c([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[C@H](C)CO2)c1 742000691 NWOKSKWNPNILEV-APWZRJJASA-N 427.526 2.331 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@H](C#N)C1 754388296 HDUMHLRXLQUPRM-CXAGYDPISA-N 434.443 2.289 30 10 IEEE C#CC[C@H](NC(=O)[C@H]1COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757442862 BDDZTDODVHWVCW-FDFHNCONSA-N 448.475 2.133 30 10 IEEE CN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@]1(C(=O)O)CCOC1 757474508 JINVYAHJFKTARQ-VWLOTQADSA-N 448.475 2.231 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 764443748 DOVSNSUKEUVYHI-AXPGXWKTSA-N 425.485 2.071 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 771291776 MFGBWJOEFBOZBL-KJCFGCQTSA-N 437.566 2.316 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772912162 VLOUYQHBTWQDGM-UHFFFAOYSA-N 430.533 2.355 30 10 IEEE Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)OCc1ccc(C2(C#N)CC2)cc1 777139651 IHRZYENCWAPNKE-UHFFFAOYSA-N 428.456 2.163 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 789253019 TWNAQXDBERXHPQ-ZWKOTPCHSA-N 433.553 2.462 30 10 IEEE N#Cc1ccc(COC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1F 791242615 WMUCBVQFNUQXKC-YJBOKZPZSA-N 438.864 2.218 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 796726756 FLWVFFXNKQBHAR-UHFFFAOYSA-N 426.473 2.432 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 809889921 PCAMFIGEUBCDDH-BBWFWOEESA-N 437.541 2.013 30 10 IEEE CC(=NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 814861693 RQKJBZMXFASLIE-UHFFFAOYSA-N 448.457 2.181 30 10 IEEE COCCOc1cc2c(cc1C=NN1C(=O)N[C@](C)(c3ccc(OC)cc3)C1=O)OCO2 920752112 WVPOPJPUCFYEFM-JOCHJYFZSA-N 441.440 2.250 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)ccc1F 1126970922 JFKORXQTOCEAJG-INIZCTEOSA-N 439.896 2.290 30 10 IEEE CCN(C)C(=O)[C@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1136563070 OWODSUXEWBARDM-KXSVDRQTSA-N 436.578 2.153 30 10 IEEE CC(C)(CCS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1148461859 MJEUCGMFAYYNQJ-UHFFFAOYSA-N 428.352 2.086 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 1162003437 SOLZHKUSESDOCO-DOTOQJQBSA-N 435.546 2.021 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1175853305 ACUZFIZHIUEVLR-UHFFFAOYSA-N 443.481 2.386 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1192948121 VPYNDTQCJPWRDG-UXHICEINSA-N 438.494 2.333 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCS2)c1 1286309636 NYGKFAUUSHNSIO-ROUUACIJSA-N 438.557 2.181 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1286348854 AOWUHCDAIFGCGF-LJQANCHMSA-N 449.552 2.190 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286387860 VKDXDLLHKSBUBC-MOPGFXCFSA-N 428.558 2.307 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286394302 NTGRGPBPPIBSCC-VQTJNVASSA-N 433.622 2.264 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCOCC1 1286402467 XUBIJBFLXCAZLF-UHFFFAOYSA-N 429.318 2.322 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)CC 1286517649 KBMXSHYZGNZLFR-PIIWDFAUSA-N 434.587 2.109 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1286727088 MDCSLEXCLPKIHN-INCQDFKNSA-N 439.582 2.120 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC)C1CC1 1286735277 UCNZRPNNEWRISX-UHFFFAOYSA-N 427.534 2.163 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C)C(=O)C1)C(C)C 1286752291 YISANTXYBIDNLT-WOJBJXKFSA-N 430.597 2.497 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286775902 NBHQQVZTCWYREF-UHFFFAOYSA-N 425.505 2.193 30 10 IEEE C=CCn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286777548 FQDWFGKLASTDQC-JOCHJYFZSA-N 427.553 2.356 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C(C)C 1286788244 SKRZBCJDNDTVSG-QGZVFWFLSA-N 449.552 2.037 30 10 IEEE CC(C)N(C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1287890538 ZWBZPYUDAXNTMS-IBGZPJMESA-N 425.537 2.299 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC2CC2)C1 1288981505 CYPWVGCJRODJBH-NRFANRHFSA-N 428.562 2.219 30 10 IEEE C#CCCCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1300425882 ZNBLBISNYVOPCV-JOCHJYFZSA-N 428.512 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C(C)C 1300559037 HUFNWTSEDWTRIU-UHFFFAOYSA-N 445.365 2.281 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1300699331 BLCUYTTTXHQHSL-INIZCTEOSA-N 434.466 2.389 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300991027 ZXCFNLCQNYQHBO-GOSISDBHSA-N 434.562 2.415 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1301198792 CPALCQCNZRLNSV-HXOBKFHXSA-N 439.516 2.052 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)C[C@H](C)O1 1301371904 CZVICLQEAPSBGD-YWZLYKJASA-N 435.532 2.456 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1301405640 UXTDMCWBCUAUJB-GOSISDBHSA-N 435.594 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1N1CCOCC1 1301491744 XJXISOROBSTQGL-UHFFFAOYSA-N 449.559 2.059 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1301499600 CQEMLJCWJMSZPP-APWZRJJASA-N 429.496 2.191 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301514158 FVYKAADZCXBBSP-DNVCBOLYSA-N 429.496 2.302 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)C[C@H]1OC 1302410661 RDJPGQJPLUGEBK-PCCBWWKXSA-N 441.532 2.252 30 10 IEEE C[C@]1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1303985565 XARQLPVWYNXUES-LPHOPBHVSA-N 448.321 2.242 30 10 IEEE C=CCOc1c(Br)cc(CNCc2nnc3c(=O)n(C)ccn23)cc1OC 1308505352 GPZWCQRLLWTXOS-UHFFFAOYSA-N 434.294 2.054 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(F)(F)Br)CCOC1 1314115357 ZAZWHZWJTNFWDS-KGLIPLIRSA-N 438.248 2.360 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1314805535 CMKAAWBHUYENES-GOSISDBHSA-N 431.500 2.222 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1315814033 FYXGKNDILIMXQH-IBGZPJMESA-N 426.496 2.250 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1([S@](C)=O)CCC1 1316289764 GVQNOFUFQHJZOK-GDWRZJEJSA-N 435.594 2.433 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@]2(O)CCOC2)cc1 1316529406 DMFYCINOMFOXNK-HXUWFJFHSA-N 449.433 2.316 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2sc(N(C)C)nc2Cl)c1 1355996269 JJDOQAWAHFRCFK-UHFFFAOYSA-N 432.933 2.349 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(C)=O)CC1 1358907810 BRVRMWDXBQDEBC-UHFFFAOYSA-N 447.547 2.077 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCOC 1358979817 YOQVJWACYKKGNV-GOSISDBHSA-N 431.537 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)c(OC)c1 1358985789 HKKLVLVMZCAPOA-XMMPIXPASA-N 438.528 2.459 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)cc1F 1359026749 JOYLNTBOOSQBTQ-UHFFFAOYSA-N 426.496 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1359040632 CCLDENTWZBIONV-UHFFFAOYSA-N 432.569 2.234 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359053912 DPNPOSIDNOTIND-ICSRJNTNSA-N 426.590 2.254 30 10 IEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359130982 DOTXMRDAJYHKKQ-SFHVURJKSA-N 438.532 2.360 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1359286844 WGBJGMKHQPRFFO-HNNXBMFYSA-N 429.912 2.319 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(COC)CC1 1359329029 WMBACXWZKUSWIW-UHFFFAOYSA-N 429.546 2.280 30 10 IEEE C#CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)C1CCN(C)CC1 1439604312 PGNJSSPKKPGTAS-UHFFFAOYSA-N 427.242 2.369 30 10 IEEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1448010643 VCONYTYSARDNLW-UHFFFAOYSA-N 432.477 2.168 30 10 IEEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 1455685257 JEETZAAPZRXMSZ-UHFFFAOYSA-N 432.464 2.256 30 10 IEEE N#Cc1ccc(CCNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 1468938073 HKXGTOYCIBTECI-UHFFFAOYSA-N 426.542 2.394 30 10 IEEE C=CCn1c(SCC(=O)NC2CCN(C)CC2)nnc1[C@@H]1COc2ccccc2O1 1472934158 AFCQGQMBGBVISR-SFHVURJKSA-N 429.546 2.279 30 10 IEEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1502237904 JYIFHGXCCSSDQZ-KRWDZBQOSA-N 448.304 2.148 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCC(F)(F)F 1503621609 HSVQSHDXHXNGLL-UHFFFAOYSA-N 430.456 2.145 30 10 IEEE COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1504619057 YUHNHCSCZSMAEG-UHFFFAOYSA-N 446.577 2.009 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507828748 GHKCMAJMOLABKR-MOPGFXCFSA-N 438.580 2.128 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1507856562 BXOISUSOSMUCQN-UHFFFAOYSA-N 442.749 2.260 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1508117502 RPILUPYQMKUGHL-OALUTQOASA-N 438.532 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508148926 LOHREPFJSRSQQS-FQEVSTJZSA-N 426.583 2.156 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508164111 YOXPOOYOHZNOBI-LJQANCHMSA-N 431.610 2.147 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cc(Cl)cn2)CCOC1 1509809588 WRSRDVCHAJZTEJ-OALUTQOASA-N 437.907 2.311 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1509937187 AAZHFLZWHGBZMG-IAGOWNOFSA-N 448.535 2.066 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)n[nH]1 1511559392 DYBUSTHFHCKTOL-QGZVFWFLSA-N 448.304 2.157 30 10 IEEE CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1514727788 ZXNBLQNDGMPXHH-JLUOLNIDSA-N 428.537 2.325 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1516879810 QOZJLUIGLHTRIE-SSEXGKCCSA-N 429.546 2.280 30 10 IEEE COCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519035258 GKHGNHIRHDWUIA-UHFFFAOYSA-N 436.520 2.101 30 10 IEEE CC(=O)N(C)c1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1533006599 KTSJHYUCIVJCMO-HXUWFJFHSA-N 433.468 2.062 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1539229991 JSKLGZPDPIPMAM-NLWGTHIKSA-N 446.548 2.229 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(-n2cccn2)cc1 1539238223 SWDQGMZRNQQFSP-VWLOTQADSA-N 444.539 2.431 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1539246691 PQROJVINGIFVKX-UHFFFAOYSA-N 437.507 2.169 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2Cc2c(CC)nn(C)c2OC)CC1 1539441538 SJNOJXZDZQCROU-UHFFFAOYSA-N 437.523 2.192 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Br)cs2)CC1 1539444210 JCJRJAHQZQQARD-UHFFFAOYSA-N 446.378 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1539475450 GNVAQLCHMCIOKH-FPOVZHCZSA-N 438.576 2.311 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(COC)CC1 1539504853 PTWWBIAEYIYPCV-UHFFFAOYSA-N 438.561 2.150 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1539670220 ZAUMVDGJNLCGDI-GBESFXJTSA-N 439.626 2.082 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1539742538 FOTBIXOZAOLWKF-SFHVURJKSA-N 430.553 2.293 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540028610 QKCWCOAYHPRVSF-MJGOQNOKSA-N 427.505 2.481 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncccc3NCC3CCC3)CC2)cc1 1540728515 KHWCOAKFPFUBDI-UHFFFAOYSA-N 439.541 2.312 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1540868765 QTYLLFNJYILIFF-UHFFFAOYSA-N 431.500 2.495 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540872230 HMANGPYCWLJWSY-QGZVFWFLSA-N 442.539 2.003 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1540902800 QMLPMQJZYNNXCW-SQNIBIBYSA-N 440.610 2.413 30 10 IEEE CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)cn1 1541016184 XNVNXEDEUBJPMV-FQEVSTJZSA-N 440.508 2.478 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1541997010 VHUOHKQACVVPHZ-FQEVSTJZSA-N 434.447 2.060 30 10 IEEE Cc1cccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)c1 1542518346 QLWNPJPVPUIUKV-LJQANCHMSA-N 436.541 2.398 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1B1OC(C)(C)C(C)(C)O1 1546271467 CXBSDFKIRFBXIL-UHFFFAOYSA-N 434.305 2.431 30 10 IEEE CCOc1cc(C)ccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1547937808 REJYXADORFGBMD-ZVDOUQERSA-N 441.532 2.486 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccco2)cc1 1555990604 FDLRGZXEHOWVSP-UHFFFAOYSA-N 445.483 2.492 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559993282 UHRDCSUNHBOEJU-TZIWHRDSSA-N 435.590 2.048 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOc1ncccc1F 1588113257 JAHGWLVECDSBLN-UHFFFAOYSA-N 433.443 2.402 30 10 IEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594626575 NAMWHFCTEKQOGP-RXVVDRJESA-N 441.532 2.488 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1595720745 BESKGNJNODOOCQ-UYAOXDASSA-N 441.532 2.089 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1595788757 IYLYPDWFTZTPHX-MRXNPFEDSA-N 437.610 2.135 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1596839986 ANJSJOUUXWISNP-MRXNPFEDSA-N 430.578 2.497 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOCC(F)F)CCOC1 1610449290 YHOPKHGTFSYULP-RTBURBONSA-N 431.459 2.432 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Br)c3ccccc3c2)C1=O 1611540003 ZLRFDWMPSXRGGQ-UHFFFAOYSA-N 430.258 2.195 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ncccc2Cl)cs1 1612412543 ROHYNDIYFMLIAB-OAHLLOKOSA-N 445.936 2.490 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1614095307 FRYXYFTYWCQLLP-ILYIUGIZSA-N 435.532 2.415 30 10 IEEE Cc1cc(C)c(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)c1Br 1616336446 NSWYHEVUPMRSBN-KBXCAEBGSA-N 425.348 2.314 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@]3(C#N)CCc4ccccc4C3)CC2)cc1 1616666391 WYHCQMDIUHKKNP-QJASNXPTSA-N 444.535 2.467 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCOCC1 1617868545 DWFSCVVXHWMICY-UHFFFAOYSA-N 434.548 2.297 30 10 IEEE C[C@@](CO)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cc(Cl)cc(Cl)c1 1624099281 FLUMUHPKFOYITM-SFHVURJKSA-N 442.324 2.056 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCOCC1 1624729661 YYWRJLJPGKENCF-QGZVFWFLSA-N 443.548 2.312 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2 1624816174 DNPMMXPFJLHTLQ-FXAWDEMLSA-N 427.501 2.382 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N(C)C[C@H](O)CN1CCOCC1 1625538759 KPUYCZDVXTXGGN-HNNXBMFYSA-N 428.327 2.171 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 1627997010 ARDUIFARTONJAV-HKUYNNGSSA-N 434.606 2.473 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1628385249 LJKMCPDGUOVMGQ-UHFFFAOYSA-N 449.360 2.356 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C2)C1 1633151725 ZARPHSGZHSMDSS-QNGPIJNLSA-N 441.397 2.448 30 10 IEEE C[C@]1(C(F)(F)F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1635999877 UNMIKJKHGGGMQO-GOSISDBHSA-N 445.463 2.139 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)cc2)c1 1636756544 SVBYBIRHBZPCPN-OAQYLSRUSA-N 438.553 2.135 30 10 IEEE C#CCOCCN(C)C(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1640917431 DYXAZQLWJDWVHN-FUHWJXTLSA-N 442.375 2.151 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](c3ncc(Br)cn3)C2)CC1 1660142463 QESHFZXLRWEBNU-WMZOPIPTSA-N 449.397 2.111 30 10 IEEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)nn1 1665126113 NYXKIXKLGMPPGX-UHFFFAOYSA-N 431.522 2.037 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1666222316 BJVDOTRVPAYIQE-HNNXBMFYSA-N 444.289 2.445 30 10 IEEE C#CCC1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCCCC1 1678737489 QNCOJIGRQMHFFI-LJQANCHMSA-N 426.565 2.307 30 10 IEEE C#CCN(C(=O)NCc1nc([C@H]2CCCO2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1682299787 TXLWITFIMAYIKI-MRXNPFEDSA-N 432.525 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1682987514 HYBHNCDQPPQSSY-LJQANCHMSA-N 443.548 2.416 30 10 IEEE C#CCN1CCC(NC(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1 1685509253 OLPNNUXGNKJTGG-UHFFFAOYSA-N 435.366 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC(C)CC1 1689840378 YLKLSIMTPZAKNZ-OALUTQOASA-N 433.564 2.499 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC2(C1)OCCO2 1690104961 OAMCEYRFXGZUMK-QGZVFWFLSA-N 431.562 2.263 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1Cc1cccs1 1690655117 HPEJTHGIQWNQLJ-INIZCTEOSA-N 428.562 2.089 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1690670954 MLVDWGVDDGXPDA-YJBOKZPZSA-N 431.924 2.316 30 10 IEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1690736166 UXYGLMJZJOBGNA-LBPRGKRZSA-N 439.383 2.277 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1691000127 XERXVJLVDJQWMW-YOEHRIQHSA-N 432.488 2.077 30 10 IEEE CC(C)=CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691396665 IZOFXQCFPDFGFN-UHFFFAOYSA-N 434.548 2.350 30 10 IEEE CC(C)OCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1692617942 ZIIDINUYMAALIL-NZQKXSOJSA-N 446.596 2.310 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(F)cc1 1698171691 ZONMOQZGDGJCJA-OXJNMPFZSA-N 428.512 2.366 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705497219 WHFCRYGYZAUTHN-WIYYLYMNSA-N 440.567 2.409 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1705530339 MRVRGLHRTBNJFI-UHFFFAOYSA-N 447.543 2.340 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1705562285 ZLVKCEMFQAWVBD-GOEBONIOSA-N 432.575 2.176 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705564788 QESXTUINYSOQLP-DRSNIGMVSA-N 446.548 2.262 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566394 NMVCRWSGYUBNRH-ZCNNSNEGSA-N 449.621 2.021 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705700094 OSOZCHBCAOAYHO-XWSJACJDSA-N 433.553 2.478 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705752716 DSJVJBYANFJWGM-UHFFFAOYSA-N 428.880 2.494 30 10 IEEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)CC1 1705827921 VOPRKOUYZSEJOV-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705939393 DGMSSKQQYKRYNW-SFHVURJKSA-N 449.621 2.455 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)F)CC1 1706002677 ICWJARMGNVVGJH-UHFFFAOYSA-N 431.491 2.072 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1706647912 CDRYPNJBAGQJMB-INIZCTEOSA-N 426.521 2.257 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1707754048 FJEYIDVUCSMZHR-JSDXIQQBSA-N 441.561 2.395 30 10 IEEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)c(OC)c1OC 1711832762 BSPCEQFYPNOTEK-HNNXBMFYSA-N 442.520 2.327 30 10 IEEE COc1ccc(Cl)cc1CN(C)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1711859699 OHOWFWSBAODVHS-HNENSFHCSA-N 430.896 2.411 30 10 IEEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1712619709 UCPFKYQYVVYARL-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722361459 NJHPIOITQGORHL-XBMUEBEBSA-N 443.573 2.172 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1722368769 SQLUMLYAPSAKDN-QZTJIDSGSA-N 449.602 2.154 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1722377351 XPYFFKZJGGGHSK-IBGZPJMESA-N 437.544 2.146 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1722676441 AJUDZURDNDIABA-LJQANCHMSA-N 436.516 2.113 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNS(C)(=O)=O)C1 1722715369 OXALSNDSARWRBR-KRWDZBQOSA-N 445.545 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722728908 CLKIKYIFECZLKK-FPOVZHCZSA-N 443.617 2.451 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC1CCC1 1722729522 NJNIUZCKCQAMIJ-UHFFFAOYSA-N 428.562 2.354 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1723879655 RJLQDICYLXNTAK-KKSFZXQISA-N 443.483 2.264 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1C 1724437858 HUKZJZZZRIZTSH-VQTJNVASSA-N 427.505 2.008 30 10 IEEE CO[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729834555 BSZBBBITHDRJKK-LBPRGKRZSA-N 425.518 2.204 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1730761661 CJQAWRLFYBWVNU-SFHVURJKSA-N 442.545 2.008 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOCC1 1740537404 UPLURPJHRCGRAN-OAHLLOKOSA-N 435.370 2.226 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1740769114 ZKRPWUJROOTDLE-IERDGZPVSA-N 429.496 2.304 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740786606 JGGKWGIEOSLCRL-UHFFFAOYSA-N 446.596 2.380 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2Cc3ccccc3O2)CC1 1740832712 GVFDTSCGJIXKOC-QAPCUYQASA-N 431.562 2.294 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(CC)S(C)(=O)=O 1740895145 BYOZFEUYJCNYLD-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1740938722 LDSJTIVFOPKBNJ-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC1(C)C 1741220000 YJFLGEYOUOUMFP-GVDBMIGSSA-N 446.552 2.361 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(C)c(OC)c1 1744096464 FPRHJSRBCZDWPX-LJQANCHMSA-N 440.548 2.485 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1746148205 CKKIWNYQJDJOBQ-RDPSFJRHSA-N 437.592 2.051 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1748077763 GOVSIMLBXLOYCD-GOSISDBHSA-N 449.559 2.084 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1748687997 WEHLAQIATFEJDU-ZDUSSCGKSA-N 427.983 2.231 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748811150 CHEMBWIVPWAWBI-UYAOXDASSA-N 447.605 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cnn(C)c1 1748828917 PYMLGVIFNZYATI-UHFFFAOYSA-N 426.322 2.475 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1748930977 GRMHITQQWFESIB-UHFFFAOYSA-N 440.573 2.334 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2nncn2C)CC1 1748985033 ZWYYXTTXNBOKJC-UHFFFAOYSA-N 448.575 2.302 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOC(C)C)CC1 1749005921 BAZSZUKHQFDRJM-UHFFFAOYSA-N 425.533 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1749009910 MUQXMFJGLQRAOT-UHFFFAOYSA-N 449.621 2.115 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749109508 OBMDJWSNHSWKIN-KBPBESRZSA-N 437.298 2.162 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCSC1 1749448909 FELFJGMQYCSMMR-GOSISDBHSA-N 426.550 2.455 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749650315 RTEPMMTXYLJUQH-HXUWFJFHSA-N 449.559 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS(=O)CC1 1749658165 HGXYMUJBNUETGD-CQSZACIVSA-N 433.603 2.002 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749724537 KYWGDOWDCCUXIB-FXAWDEMLSA-N 448.589 2.348 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1O 1750339383 MOFJUBSEUGXDFF-OLMNPRSZSA-N 433.459 2.360 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)CC1 1751279111 RKYJYPGZURXYBS-OAHLLOKOSA-N 431.541 2.274 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1760100409 VIBWGUNLSVDZBG-WAIKUNEKSA-N 438.532 2.332 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760133730 NSXHWHBXOAFWPX-IBGZPJMESA-N 441.532 2.107 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([S@@](C)=O)CC1 1760244475 WYDKJLQRRSYVRT-AREMUKBSSA-N 440.367 2.033 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1760411165 FLCPCCSEOHOGBH-MRXNPFEDSA-N 449.559 2.461 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](COC)C1 1760554865 PDWWXFMSGNXLKX-OAHLLOKOSA-N 440.516 2.221 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1761359971 CUIYSFVELHWTCM-QUCCMNQESA-N 432.532 2.374 30 10 IEEE C[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N(CCC#N)CC2CC2)COCCO1 1761577421 UAEXOQJDLIOPGX-NRFANRHFSA-N 444.561 2.205 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1765590093 GDVFILFYGITCCW-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1767012829 GDYKPPAEAKPYHM-IBGZPJMESA-N 440.548 2.363 30 10 IEEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1770504788 KSSAVMRNDSBHJU-SFHVURJKSA-N 448.618 2.478 30 10 IEEE COCC(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1770720443 FTJXQQGVYRZOAW-BBWFWOEESA-N 448.568 2.450 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1771304836 LPKSINMPELJESQ-HAGHYFMRSA-N 446.596 2.241 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCCC2)C1 1771353311 FSMXHUBDLFIVDT-UHFFFAOYSA-N 429.546 2.401 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772793472 ZLNMBRXCCGPICO-UHFFFAOYSA-N 430.482 2.407 30 10 IEEE Cn1ncc2c1CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772794343 IMXRAOWIAFMMEG-MRXNPFEDSA-N 426.429 2.009 30 10 IEEE C=CCN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2cccc(Cl)c2)CC1 1850854771 RMORROYAZWOKKA-KRWDZBQOSA-N 432.011 2.070 30 10 IEEE CC(=O)N1CCC(C(=O)Nc2nc3ncc(I)cc3cc2C#N)CC1 1851204618 VTFSQTFLFMSNQC-UHFFFAOYSA-N 449.252 2.303 30 10 IEEE CC(C)[C@@H](C(=O)N(c1ccc(C#N)cc1)c1nccc(Cl)n1)N1CCS(=O)(=O)CC1 1851534049 WLONFEZRAGCMPS-SFHVURJKSA-N 447.948 2.421 30 10 IEEE Cn1ccnc(N2CCC(N(Cc3c[nH]nc3-c3ccc(F)cc3)C(=O)CC#N)CC2)c1=O 1853489236 WMULWYXUODDCGF-UHFFFAOYSA-N 449.490 2.221 30 10 IEEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1855854017 PXEQFFCNLQLZRY-UYAOXDASSA-N 433.574 2.499 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)C1(C)C 1856122024 NXPIDJXYKXXMMS-IBGZPJMESA-N 433.574 2.174 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cc(F)ccc1F 1856223304 SGOQVAACKOYYGG-ZDUSSCGKSA-N 433.436 2.039 30 10 IEEE C[C@@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C(=O)C1(C)C 1856754618 GLGJGWTVFQUKHK-AWEZNQCLSA-N 425.938 2.255 30 10 IEEE COc1cccc(/C=C/C(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1OC 1860636025 IDEBKTLRPPNZGE-BQYQJAHWSA-N 438.480 2.359 30 10 IEEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2Cl)C1=O 1863778116 YWNKILHOOAYPEQ-UHFFFAOYSA-N 445.928 2.086 30 10 IEEE CCCCCCCCN=c1[nH]c(=N[C@H]2CC[C@H](O)CC2)[nH]c(=N[C@H]2CC[C@H](O)CC2)[nH]1 1871461807 DXMIWPIXRNZZTH-UBBSCCEASA-N 434.629 2.341 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccn1 1874432064 MSDWVGTZHGTBGC-WYMPLXKRSA-N 437.529 2.485 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(NCCCN3CCCC3=O)ncnc2n1CCOC 1875223028 WMVMPEIGOJVTLK-UHFFFAOYSA-N 440.548 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)[C@H]2CCO[C@@H]2C1(C)C 1886248634 JQEKPQACQGDXKT-DFFLPILJSA-N 430.457 2.449 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2c(Br)cnc3nccnc23)C1 1891473896 BDUYADQHZFFTPJ-NSHDSACASA-N 440.261 2.133 30 10 IEEE CC1([C@](N)(C#N)Cn2cnc(I)c2I)CC1 1990181109 JTODDGCLXOHRFK-JTQLQIEISA-N 442.042 2.113 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1 1993332666 FRUMRDCJZIJUER-HNNXBMFYSA-N 427.542 2.382 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2014246789 HPHSCLOXLOAETP-JYJNAYRXSA-N 440.541 2.060 30 10 IEEE C=CCN(CC(=C)Br)[C@@H](CN)c1nn(C)cc1I 2057520276 WSTOQNWKHOAGBY-NSHDSACASA-N 425.112 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060636307 WOBXUFIVVGSWAC-LISAXSMJSA-N 435.374 2.136 30 10 IEEE N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1 2174787546 VJIJIAHWFNICAY-MOPGFXCFSA-N 433.461 2.060 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)c(N)c1 2207137444 PZJZYSMOZXCEPV-BSLVTKGXSA-N 426.498 2.266 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2247833066 AGDXVVTUTIGLIC-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247862652 FEZFOAKYYQYXSN-KBPBESRZSA-N 438.355 2.069 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2255620874 FKSXECGDEQNFBR-QGZVFWFLSA-N 447.288 2.034 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255629070 QJDCHBUFCHVZDU-INIZCTEOSA-N 426.370 2.278 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256680557 YTCNUVUCVJRGJG-KRWDZBQOSA-N 433.358 2.379 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267131101 XAQYTESRUYYBHD-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2267154035 FQOPRHIYMVNVAJ-HUUCEWRRSA-N 448.373 2.093 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178465 CBJLTOWCCBIVRI-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267185848 BCQJEMOBRKOZTI-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267193772 KGMDIGIHGIRAAZ-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273792710 RGDGBXLEBFXHAV-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2302953015 VMEDGCVOYWWRDB-LJQANCHMSA-N 448.585 2.348 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317236152 NPBOZOZZUWHUJO-LBPRGKRZSA-N 438.305 2.474 30 10 IEEE CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1cccc(C#CC(C)(C)O)c1)CC2 14731198 UFJFCTAAVNQXDQ-UHFFFAOYSA-N 439.512 2.027 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 24242488 VAUPEYJPVICUHZ-CABCVRRESA-N 427.376 2.479 30 10 IEEE CC(C)c1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444354 MNYHRZGILNLOEN-MSOLQXFVSA-N 449.511 2.460 30 10 IEEE COc1ccc(N2C[C@H](C(=O)NCC#Cc3ccc(N4CCOC4=O)cc3)CC2=O)cc1 96349909 IDYXEDUVSCHGCT-GOSISDBHSA-N 433.464 2.173 30 10 IEEE CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)nc1 301104719 SMGYKFLQTSCDIO-UHFFFAOYSA-N 428.562 2.482 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccn(C3CCCC3)n2)cc1 432292233 SCBPFCACEUVPBQ-UHFFFAOYSA-N 445.545 2.060 30 10 IEEE CC1(c2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)no2)CCCC1 434847565 CSOZMLNANZCKMS-UHFFFAOYSA-N 425.464 2.804 30 10 IEEE COc1cnccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 438626746 SLHZZFSYKJSMQH-OAHLLOKOSA-N 428.514 2.240 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)cc1 439000957 LGGZVMZTWMQDGR-UHFFFAOYSA-N 429.498 2.395 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cn1 461306972 JLLWPNIIHWWZDQ-QGZVFWFLSA-N 430.424 2.111 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)CC1 467296761 JUKCIGLXHSVOIK-UHFFFAOYSA-N 442.541 2.069 30 10 IEEE CCC1(CC)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC[S@]1=O 469511602 DYNSHPLBFVWYDU-WENCNXQZSA-N 434.581 2.158 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)CC2)c1C#N 472116686 ZZHSLQQKURWJSC-NRFANRHFSA-N 435.576 2.487 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccc4ncccc4c3)n(C)c2=O)c1 478850226 DLYPOXRNXKWCKC-UHFFFAOYSA-N 442.500 2.093 30 10 IEEE COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1C1CC1 487173240 NRJPCXLPAJMDAN-HXUWFJFHSA-N 447.495 2.218 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC1 489247785 CTLTUPIZEBHAEJ-UHFFFAOYSA-N 430.936 2.386 30 10 IEEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489438875 OXPLUBRHWNNNGE-KRWDZBQOSA-N 442.541 2.125 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508810277 CDIKWGCCWMBYJC-MRXNPFEDSA-N 431.562 2.482 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 508849216 PTACMFGHJTUAEL-SSEXGKCCSA-N 426.550 2.234 30 10 IEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508954729 BLCKYGZFXHORJR-UHFFFAOYSA-N 437.504 2.274 30 10 IEEE CC(C)Cn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 516373888 UQLPXCCROJFSKD-UHFFFAOYSA-N 439.581 2.382 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 523338387 GNSQYEWLWNJAIB-MOPGFXCFSA-N 444.582 2.310 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)N2CCc3ccccc3C2)sc2c1CCC2 526889321 OKZCPMDUIAXIRO-LJAQVGFWSA-N 427.551 2.381 30 10 IEEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1Br 538746406 UXLYBNSDBAJSQY-UHFFFAOYSA-N 449.330 2.082 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(-n2ccnn2)cc1 539493863 YVGGNFMTILQFPK-WZONZLPQSA-N 447.518 2.466 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3COc4ccc(F)cc4C3)CC2)cc1 564540723 KEENFAIQBSLIDE-LJQANCHMSA-N 443.500 2.218 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCOC)Cc1ccnn1C 566387932 KMORWHUEFJAPNQ-UHFFFAOYSA-N 437.552 2.025 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C 578177334 MRYMROUNWJMVLU-LPHOPBHVSA-N 427.505 2.054 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(OCc3ccccc3)cc2)CC1 604177249 OZRMGDFOCZLJEY-UHFFFAOYSA-N 436.556 2.438 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)c1F 669650687 MMHJWPBBAJJORD-INIZCTEOSA-N 444.528 2.355 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c1 673765806 UCBMJKITKOXYNY-CQSZACIVSA-N 442.497 2.156 30 10 IEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2CN2CCOCC2)c1=S 743372127 BZXVWRLLSDFSST-HXUWFJFHSA-N 434.654 2.383 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2nc3ccc(C)cc3[nH]2)cn1 744430915 ACEVAOGWIYHESE-INIZCTEOSA-N 425.518 2.356 30 10 IEEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCN(c3ccccc3C#N)CC2)C1=O 747336143 AXNDYHHXVQKQLW-XMMPIXPASA-N 449.486 2.250 30 10 IEEE C#CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1C)[C@@H]1CCS(=O)(=O)C1 753227436 YBDLYIPLPNEQAP-GFCCVEGCSA-N 443.319 2.198 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCO)C(=O)O 757335598 ZXCKLEPWXSTUKC-NHCUHLMSSA-N 438.480 2.422 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)cn1 763712074 KRHUOLHOYXQZIS-QFIPXVFZSA-N 432.440 2.163 30 10 IEEE C#CCN(C(=O)NC1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCS(=O)(=O)C1 774195838 UAYQKMHZGXICCN-MRXNPFEDSA-N 432.571 2.097 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 787067827 ZEOSZHLCDVOPRA-CZUORRHYSA-N 442.378 2.251 30 10 IEEE COc1cc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1C#N 793266719 SZHRMAHKPUJDEM-SFHVURJKSA-N 440.525 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 793739065 ZKNWTEMGJLQGRJ-APWZRJJASA-N 441.532 2.321 30 10 IEEE CCn1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(C)cc2)cn1 795177438 KJSBWAFUHMJSNR-LJQANCHMSA-N 442.589 2.411 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 796915726 HAOIENRBFCBYHI-MJGOQNOKSA-N 432.521 2.438 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 802558762 YQLPWCNATGRXSH-GOSISDBHSA-N 447.561 2.294 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 805785618 IFYRVSZTFUMHMG-UXHICEINSA-N 431.492 2.328 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1 809886000 SFIZJXGFENXIND-SFHVURJKSA-N 432.569 2.447 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)OCc2cccnc2C#N)C1=O 813165316 ZVTZFSMBJSATDA-LJQANCHMSA-N 443.257 2.226 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 916179598 DPEBJBCNJWPQBO-ZHACJKMWSA-N 437.521 2.456 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 919077807 QKAWUGXAHFCYAQ-GOSISDBHSA-N 449.507 2.148 30 10 IEEE Cc1nc(=NC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)n(-c2ccc(C#N)cc2)[nH]1 1126496152 HXZJCZUEXGLBMU-UHFFFAOYSA-N 426.362 2.422 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 1130821101 JSLMTZIIOASHTQ-UHFFFAOYSA-N 439.489 2.481 30 10 IEEE N#Cc1c(CCCNC(=O)CCc2nnc(C(F)F)o2)nn(-c2ccc(F)cc2)c1N 1141569143 ANZFEVSAIPCJOJ-UHFFFAOYSA-N 433.394 2.467 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)c2cnn(C(C)(C)C)c2I)C1=O 1270493012 CWURPMQSEVMOMM-LBPRGKRZSA-N 430.290 2.102 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1286392364 LNLBCRROFDYOPX-WPGJWXSHSA-N 438.557 2.110 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286394595 PESGTGKXGDHQKR-CTNGQTDRSA-N 442.585 2.231 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(C)c1 1286455589 XEDITVDADUTVED-HSZRJFAPSA-N 438.507 2.491 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCO[C@@H]1C 1286457445 PGMGLBQUOFDEES-GSHUGGBRSA-N 432.496 2.183 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCN2CC)CC1 1286483794 ZBOIAIKKTKHLHT-JOCHJYFZSA-N 436.604 2.311 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCOC1 1286567849 WXEWYNYUTWQWJN-GJYPPUQNSA-N 431.562 2.476 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286788758 FIXSHTPARUMJMU-IBGZPJMESA-N 448.527 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(O)c2)C1 1286805899 VFOZFKOZIVNUDJ-WZONZLPQSA-N 444.532 2.474 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1286823935 RWUKEPNQUYUVDS-WBVHZDCISA-N 443.639 2.060 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1286889691 JFOJXWQAWDSLQE-QFIPXVFZSA-N 441.605 2.225 30 10 IEEE C#CCC1(NC(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CCOCC1 1288973304 FXORCYPPIQEYNL-UHFFFAOYSA-N 431.537 2.461 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1298999972 FUEXTBWMUXJTBW-QGZVFWFLSA-N 440.548 2.364 30 10 IEEE C[C@](CO)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccc(O)cc1 1299961984 SVLIYSQLGAGKAS-HXUWFJFHSA-N 430.302 2.486 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC(C)C 1300305237 SVBYVEHKCZVCMO-MRXNPFEDSA-N 442.545 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC2)CC1 1300689184 RSUHDAAQQZKRBK-INIZCTEOSA-N 430.350 2.499 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1300695721 HHFUCMHJGSXMIK-HXUWFJFHSA-N 434.548 2.166 30 10 IEEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1301397137 NVIPRDYYDZBYIV-MRXNPFEDSA-N 449.602 2.273 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301484309 DWZJGLJCSVIDDC-HNNXBMFYSA-N 447.465 2.192 30 10 IEEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1304194229 UDPXYJRZBVOPLP-FQEVSTJZSA-N 425.397 2.266 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c1 1306887884 KNZBMVYEDWTKTJ-NZSAHSFTSA-N 446.326 2.054 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)c1 1307856803 PGUIULJABJFCIR-QGZVFWFLSA-N 444.413 2.426 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1312354053 RBGSVOMVMHHDML-HXUWFJFHSA-N 429.583 2.410 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1313750355 GDQBXJJRAFNZIC-UHFFFAOYSA-N 430.520 2.338 30 10 IEEE CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1314208468 CHIGALPYZJCNON-OXJNMPFZSA-N 433.509 2.069 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316527317 KATHJBMZHNESBG-UITZCYDRSA-N 439.426 2.053 30 10 IEEE N#Cc1ccc(OCC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1Br 1353903008 AKTSKSXZQYAKDU-UHFFFAOYSA-N 437.315 2.431 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1358934596 GLSMBAWOXNDSJH-UHFFFAOYSA-N 426.496 2.404 30 10 IEEE C#CCN(c1nnc(CC)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358963193 DIFIPKVOZHHIIX-CQSZACIVSA-N 440.928 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359099583 QGISXBFEPJAETE-MJGOQNOKSA-N 439.626 2.320 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOCC)CC1 1359100743 FYJHBNHGQYXTPV-GMAHTHKFSA-N 440.592 2.404 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359104105 YBRCGWTUMNNROE-JPAWQOSXSA-N 432.565 2.352 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359210584 YYWDGCMUIVOPAG-UHFFFAOYSA-N 436.476 2.406 30 10 IEEE C=CCNC(=O)Cn1c(N2CCOC3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359305417 CGTSUDNEOYGGIV-HSZRJFAPSA-N 447.580 2.160 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359345908 UGCAHYVIFHIWPB-IBGZPJMESA-N 431.610 2.411 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccnc(OC2CCOCC2)c1 1359470850 GYAVNQJDOHBUDL-INIZCTEOSA-N 434.504 2.332 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2S1(=O)=O 1439738570 ILZZXGCCULISJX-LJQANCHMSA-N 439.493 2.325 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CSC[C@@H]3C(=O)N3CCSCC3)n[nH]2)c1C 1442475900 SOVHQIGLMBFVLH-QGZVFWFLSA-N 446.602 2.167 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N1CCN(C(=O)CC#N)CC1 1445691141 PVZWQGCSEXTFAN-GOSISDBHSA-N 440.500 2.453 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C2=O 1452944318 ANQZKQSQVAZSOV-TWWFPWMWSA-N 426.517 2.187 30 10 IEEE N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1F 1463740872 CMKHZTPQMDQLEL-UHFFFAOYSA-N 427.379 2.261 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc(-c4ccncc4)n[nH]3)C2)C1 1469079779 SMPJCGHSXMAPIO-BXFSZVDSSA-N 437.504 2.270 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)cc1 1470875820 OFRRYTBQKOUUHJ-UHFFFAOYSA-N 434.880 2.469 30 10 IEEE CCNC(=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCC1 1502402780 SDAWSSOVWCFHCD-OAHLLOKOSA-N 444.486 2.182 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H](OC)C(F)(F)F)CCOC1 1502682335 ZBBXYSBMQVAUFH-IAOVAPTHSA-N 435.422 2.340 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2COCCO2)C1 1505311640 CWTJQFSAKYOGNT-DYVFJYSZSA-N 439.289 2.283 30 10 IEEE C#CCCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507579904 KWNXOWXAQXLSMI-UHFFFAOYSA-N 448.571 2.299 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1C 1507605116 PJSUDWBSDNRRRZ-NVXWUHKLSA-N 430.578 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCCN(C)S(=O)(=O)CC 1507644105 DFNUXHSHJIWOFJ-UHFFFAOYSA-N 433.965 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC(=O)NCCc1ccccc1 1507670023 ALWPYGLTHKWTDD-UHFFFAOYSA-N 426.524 2.086 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](SC)C(C)(C)C)CC1 1507733504 AUVMIBJJTFAZGB-QGZVFWFLSA-N 448.637 2.160 30 10 IEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507830400 QRXZDUSFYGMMBG-UHFFFAOYSA-N 426.521 2.104 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc2n1CCC2 1508042228 YKTCXXPSLYSWHK-VQIMIIECSA-N 429.569 2.422 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508075059 VNBVXHSABXHZMY-RDJZCZTQSA-N 425.489 2.234 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1508097423 IHUVTBQPUNVZFM-JXFKEZNVSA-N 439.507 2.104 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508160525 VMEXLGPYVIDGMJ-IERDGZPVSA-N 448.593 2.253 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N(C)C 1508410858 GQEYWIYXBHHVFI-KRWDZBQOSA-N 430.578 2.235 30 10 IEEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1514199551 IXOTZWYTMOCOAT-VOFKWLDRSA-N 444.561 2.085 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)CC1 1515941061 XBXNZTISYQEBOJ-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)C1CC1 1517744813 GYAHXEGPHXKVGQ-QHCPKHFHSA-N 438.532 2.212 30 10 IEEE COCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1519034158 CVMNVBANQRJQJX-GOSISDBHSA-N 447.547 2.067 30 10 IEEE CNS(=O)(=O)c1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc1 1538438594 BLSTXPOXRRDQFW-FAGJFJLWSA-N 448.545 2.320 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2ccncc2)c1 1539037115 CBHDKTQBGSEMTE-UHFFFAOYSA-N 445.527 2.110 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnccn1 1539067310 CUHDHTDPTLMEEV-UHFFFAOYSA-N 428.500 2.422 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1539219975 GIBPDBACQLYZBD-IAGOWNOFSA-N 449.602 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(C2CC2)C1 1539300937 YPMXEJIVQASAPZ-YKSBVNFPSA-N 425.577 2.266 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1539363065 KNNCFKZLFSPBNE-UHFFFAOYSA-N 438.576 2.378 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540049010 FPFMKJLSYKHJNA-FDDCHVKYSA-N 442.564 2.221 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)c1 1540660795 ANBDKPZRGVPHJJ-UHFFFAOYSA-N 426.274 2.315 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1540869905 ACPLUNREIRHEEM-SFTDATJTSA-N 444.624 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540905420 WCUMNBKUQIMHIS-DLBZAZTESA-N 437.635 2.450 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H](C)S1 1545059390 JNQHKMPDWKGPQQ-BXWFABGCSA-N 429.546 2.474 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1546747521 MSLIDEAWKCEGHG-QKCRCVCASA-N 444.536 2.050 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOCC2(C)C)CCOC1 1547888115 FQBMNMMTDWXFPG-HSZRJFAPSA-N 446.596 2.171 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N(C)C)cc1OC 1547949449 GELHUERQTIOORE-OAQYLSRUSA-N 430.484 2.273 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1554320104 HFNRRHKXDMCWNT-HXUWFJFHSA-N 449.602 2.495 30 10 IEEE CCON(C)C(=O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1557353483 RYVDBXNRNUYEIT-UHFFFAOYSA-N 426.498 2.429 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)NCc1cccc(C#N)c1)C[C@H]2C(=O)OC(C)(C)C 1560134838 SIJQWJNQPLHFON-SZTYLXMGSA-N 441.528 2.017 30 10 IEEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](c1ccccc1)c1nc[nH]n1 1570180441 MOQVAXDFFBOIRA-UYAOXDASSA-N 443.467 2.129 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cc1 1584229746 LIKOJOQPOMYMLD-LAUBAEHRSA-N 447.495 2.167 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1587783267 NHSVDFUYZMOOAU-MRXNPFEDSA-N 428.562 2.130 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588041543 XRXFULLNRHNDOO-SFHVURJKSA-N 442.545 2.068 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(Cl)c(OC)c2)CC1 1588813095 VUXSLTFHCVONQJ-SFHVURJKSA-N 429.952 2.442 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCn2cc(C)cn2)CC1 1588857443 NIDIYVSYBGVBBT-UHFFFAOYSA-N 433.560 2.032 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1588898888 HAKQDSUWKKYFSG-LJQANCHMSA-N 432.528 2.209 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1589150734 JVLGSHNRCNHUIW-IIBYNOLFSA-N 449.552 2.441 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1589216103 JULKFZKKYFXWPT-MIZPHKNDSA-N 441.601 2.475 30 10 IEEE C=C1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)c2ccccc2)CC1 1594076897 CYWOABWYZAINIK-UHFFFAOYSA-N 426.546 2.419 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CC1 1594498829 XWCUJODBIUVQCM-QGZVFWFLSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595500740 DKZYOBMSFOFUDW-QFIPXVFZSA-N 425.464 2.386 30 10 IEEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1612445215 RJKHEPYHBKCBAJ-UHFFFAOYSA-N 441.561 2.283 30 10 IEEE COc1ccc(Br)cc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1619150563 AQXQJAVEJDFMMU-BBRMVZONSA-N 448.321 2.330 30 10 IEEE COC1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1619482324 BOLIXAWUXMFJSZ-OFLPRAFFSA-N 444.561 2.204 30 10 IEEE CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)CCN1C(=O)c2ccccc2C1=O 1625504870 GRNSCWOWMFZEFW-FCHUYYIVSA-N 430.508 2.348 30 10 IEEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H]1c1cnn(C)c1 1626697787 IKOUPJFZARSWTP-NJDAHSKKSA-N 431.452 2.213 30 10 IEEE C#CCN(C(=O)c1cn(C(F)(F)CO)nn1)[C@@H]1CCOc2ccc(Br)cc21 1628057462 GEFJWPADEJKTCZ-CQSZACIVSA-N 441.232 2.181 30 10 IEEE Cc1ccc(C(=O)N2CCC=C(c3cn(C(C)C)nn3)CC2)cc1S(=O)(=O)NCC#N 1628394864 APTLCBRZGYACJX-UHFFFAOYSA-N 442.545 2.289 30 10 IEEE CN1CCC(N2CC[C@@H](N(C)C(=O)COc3cccc(Br)c3C#N)C2)CC1 1628813681 GKCUPEABUWWFIN-MRXNPFEDSA-N 435.366 2.326 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1629733568 SNQLYSHDISSOPT-GUDVDZBRSA-N 447.557 2.187 30 10 IEEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 1635805519 HJSZBZZBJSLZHS-UHFFFAOYSA-N 442.415 2.192 30 10 IEEE N#Cc1ccc(CN2CCC(n3nncc3I)CC2)c([N+](=O)[O-])c1 1643829266 IPTQVCYLEMDVLZ-UHFFFAOYSA-N 438.229 2.500 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)CC1 1646157382 OXZXIIROMMGELO-KRWDZBQOSA-N 434.334 2.110 30 10 IEEE N#CC1(CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CCOCC1 1647903749 CJLDMBKDUSOKBI-UHFFFAOYSA-N 432.329 2.484 30 10 IEEE COC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(C)c1 1650762730 KESOLSXCJMTXER-SFHVURJKSA-N 443.525 2.234 30 10 IEEE CC(=O)NCc1ccc(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 1674316112 DGONXAPXDWTCBC-UHFFFAOYSA-N 448.483 2.474 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1689947370 FVFMJTQETQKTCM-JOCHJYFZSA-N 446.573 2.252 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCC[C@H]1CO 1690008743 NCDUSTKPQJNUIZ-IBGZPJMESA-N 426.952 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](OC)C2CC2)CC1 1690148498 JJVOBDWGNSFHCT-OAQYLSRUSA-N 439.535 2.399 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1690182507 AQGYUSPRBFABKH-HXUWFJFHSA-N 441.601 2.361 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1690195340 JIOCZGCYWJGQKG-DHIUTWEWSA-N 442.516 2.114 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1690265015 IPBXRNZLWZZASF-IBGZPJMESA-N 445.589 2.381 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690287582 IUDLQFOSFHNGRC-RTWAWAEBSA-N 432.613 2.327 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690419336 OFSDMGDEFFLBIC-MRXNPFEDSA-N 438.536 2.084 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1697775385 LELOTBXCDAVVTA-IBGZPJMESA-N 430.528 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705499109 LLCHHSPXNJQYES-PKOBYXMFSA-N 428.606 2.331 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1705612760 OPRCSFWJSUENMR-QGZVFWFLSA-N 426.546 2.080 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)cc2OC)CC1 1705640863 IRIBVHNJZRFYGL-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)N(C)C)CC1 1705643793 STKKFRDVMJNXHH-SFHVURJKSA-N 428.606 2.284 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2nnc(C)s2)CC1 1705650819 ZWCBJHIGPGIKCR-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705664018 VBELXKQRKKFAGH-SFHVURJKSA-N 444.649 2.166 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1705664481 QEXGXIYUVYQOCT-KNQAVFIVSA-N 444.605 2.280 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1705830269 LZXVEBDJIOIGBC-XLIONFOSSA-N 441.532 2.475 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1705841251 UDZKZDLUGCREPW-UHFFFAOYSA-N 435.532 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OCC)C1 1705900688 MCMWDQFVJQKBCJ-HXUWFJFHSA-N 435.532 2.438 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C(C)C)C1 1705905674 CSYYBKPCMOGLPZ-SFHVURJKSA-N 439.589 2.397 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705934151 CLAVILAIXWNHBK-UHFFFAOYSA-N 442.545 2.432 30 10 IEEE CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706414787 BRQAWANXWXGFNH-MRCUWXFGSA-N 442.564 2.400 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1708337052 GKMBSPMIDRONBZ-CKJXQJPGSA-N 448.593 2.193 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1712596722 VMVUGLNRZQIWRY-LJQANCHMSA-N 438.532 2.104 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2(C)COCCO2)c1 1722304595 AGQIWTVESXOKMC-XMMPIXPASA-N 446.511 2.202 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CC2)CC1 1722431560 QYIZNNQYQNDLEI-MYGHRHJXSA-N 445.564 2.224 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(OC)cc2)CC1 1722439239 UFOAUJMBPXANJU-UHFFFAOYSA-N 432.528 2.107 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722535327 FVFLAVKZRCHMFU-UHFFFAOYSA-N 443.552 2.243 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@](C)(O)c2ccccc2)C1 1722708863 FEWZDHLTGDNEEG-AUSIDOKSSA-N 427.549 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2ccc(O)cc2C1 1722729411 KAOUTQAORTVDDK-UHFFFAOYSA-N 439.541 2.133 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1723785901 KPWPMVKZNCNFJK-ICPLQIHGSA-N 438.532 2.245 30 10 IEEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1723867383 SSNXDPYJJUBWNL-OXQOHEQNSA-N 427.528 2.417 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](OC)C(C)(C)C 1729066439 DMGVKDIJERSEKA-SFHVURJKSA-N 427.553 2.469 30 10 IEEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729140234 YGFQPNVSKJCMQX-FQEVSTJZSA-N 438.532 2.277 30 10 IEEE CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729310604 YWUMPGOKENREER-IBGZPJMESA-N 436.541 2.468 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCSC1 1729369976 UVQUARTZZNWTKT-UTKZUKDTSA-N 429.546 2.476 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@H](F)C2)C[C@H]1O 1729783060 PXOXVRJEKHCQHM-WZGPROSRSA-N 427.480 2.315 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1730663440 FDCVXQJTJQXOOB-IBGZPJMESA-N 441.532 2.133 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1740558430 FFIYJYWOYIUXSR-KBPBESRZSA-N 440.495 2.189 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 1740583775 ZCBRLIDLVHDDCI-UHFFFAOYSA-N 440.367 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1740643202 CMZFTVHLIHVCLE-HXUWFJFHSA-N 447.518 2.472 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740760879 LIVCKGAEUURMLL-PZJWPPBQSA-N 430.597 2.173 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740790941 PHFCSCKKNQBXLE-GOSISDBHSA-N 445.531 2.310 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740804748 HGCPRMAJAWEPPM-UHFFFAOYSA-N 434.953 2.429 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1)N(C)C 1741862964 NDPCCDFBOMMBHT-PKOBYXMFSA-N 435.536 2.112 30 10 IEEE CC1(C)CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 1741998332 GFRSKTWKVWIRKQ-XMSQKQJNSA-N 448.637 2.432 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1748713652 CXAZSVOCFGSUOJ-WMZOPIPTSA-N 431.562 2.430 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748814242 BQMNWCGVLSYSIL-REWPJTCUSA-N 442.585 2.470 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(OC)c2OC)CC1 1749004490 KAGUMEMITCYZHA-UHFFFAOYSA-N 425.533 2.433 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1749031993 QNAMQNUGEJGXOF-UHFFFAOYSA-N 433.541 2.101 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1749033254 CEHJGSLDYRLCCC-DOTOQJQBSA-N 444.536 2.178 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1749706639 QPYJNFOOQAKKGD-GUDVDZBRSA-N 441.580 2.404 30 10 IEEE CC(=O)NCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1 1750028375 DPXITQWZHDCBPO-NRFANRHFSA-N 427.484 2.115 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1COc2ccccc21 1751209532 ABNXDOBOVJKBDP-DOTOQJQBSA-N 444.561 2.195 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2Cc2cn(C3COC3)nn2)c1 1760126594 CUDSPEGUEWZVHS-INIZCTEOSA-N 448.531 2.059 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760145262 LHGLJLGMDXAVFI-FXAWDEMLSA-N 441.532 2.181 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCS(=O)(=O)CC1 1760172953 DUXJNIUPURKIAQ-UHFFFAOYSA-N 448.614 2.285 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CC1(N2CCOCC2)CC(OCC)C1 1760199841 KVBMCYKMVYJTTO-UHFFFAOYSA-N 433.556 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760218727 LXHSPFGTRYXGRB-NRFANRHFSA-N 449.555 2.150 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1760235531 PPXYLNMXSWRANI-VGSWGCGISA-N 435.569 2.453 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1760249910 BTLOBLBCROQUMC-UHFFFAOYSA-N 435.569 2.246 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760260681 BRQOSGKAERFMSC-RDPSFJRHSA-N 425.577 2.452 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760284332 KIEAUGDPJKAMPV-QGZVFWFLSA-N 427.578 2.014 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F 1760515693 QVEUPWMTGALOEE-UHFFFAOYSA-N 435.248 2.347 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760525857 USVIGSATNOBYHD-KKSFZXQISA-N 431.562 2.007 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1760532567 YSJQTYDLPHLIPQ-QGZVFWFLSA-N 427.505 2.029 30 10 IEEE CC(C)OC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1761301738 DEFSYVFIEYWHDB-QZQOTICOSA-N 428.537 2.151 30 10 IEEE CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1762363747 KAOQNRAAAJGMDT-ZACQAIPSSA-N 434.541 2.204 30 10 IEEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N(C)C)cc(OC)c1OC 1768273107 GCFKYEKKBMNCAP-QFIPXVFZSA-N 442.520 2.189 30 10 IEEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1770599101 BCQOEXUDRWIGEK-NRFANRHFSA-N 437.592 2.458 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccccc2)CCO1 1770747136 MPNXLDUXRBNXAN-GOSISDBHSA-N 433.472 2.123 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2CCCO)C1 1771527704 CRGNCHGIZHBXBC-WIYYLYMNSA-N 443.483 2.142 30 10 IEEE C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)CC1=O 1848964674 ZTDMFYWIUPMKLA-QGZVFWFLSA-N 428.558 2.386 30 10 IEEE COc1ccccc1-c1ccc(N2CCC(C(=O)NCC#Cc3cnn(C)c3)CC2)nn1 1850055145 NMMHKEKCBQAOHF-UHFFFAOYSA-N 430.512 2.270 30 10 IEEE C=CCN1C[C@H](C(=O)OC[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1852586007 ZINZQWVUMDHQMC-JKSUJKDBSA-N 440.949 2.318 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1852590185 LSLCSANDPZJQOE-ZDUSSCGKSA-N 429.477 2.006 30 10 IEEE N#Cc1cnn2c(NC(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)c(-c3ccc(F)cc3)cnc12 1852622835 KWASLRYWZNTFBN-OAHLLOKOSA-N 448.458 2.373 30 10 IEEE Cc1noc(C)c1CN1CC[C@@H](N(Cc2cn(Cc3ccccc3)nn2)C(=O)CC#N)C1 1853418778 BPEZZCQMBNEAJJ-OAQYLSRUSA-N 433.516 2.448 30 10 IEEE Cc1noc(C)c1CN1CC[C@@H](N(Cc2ccc(F)nc2)C(=O)c2cnc(C#N)nc2)C1 1853601389 MZVOIFJAIOJQKD-GOSISDBHSA-N 435.463 2.404 30 10 IEEE COc1cccc2c1C[C@H](C(=O)O[C@H]1CON(S(=O)(=O)c3ccc(C#N)cc3)C1)CC2 1853621484 QBHNTJMVQZLDHJ-QZTJIDSGSA-N 442.493 2.220 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2C(=O)O)c1 1862701367 CJSXZAHHKUUGJK-LJQANCHMSA-N 438.436 2.108 30 10 IEEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1871004715 UDBLNFXKOQJHBB-UHFFFAOYSA-N 436.556 2.405 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871687579 BJZCANDEXYYLLM-UHFFFAOYSA-N 441.580 2.408 30 10 IEEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/n1c(S)nnc(C(C)(C)C)c1=O 1873498122 ONEHTQKWONSWMG-ZVBGSRNCSA-N 445.501 2.392 30 10 IEEE C=CC1(N[C@@]2(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1 1904401356 IZNXHFRPMLALNW-SZNDQCEHSA-N 425.526 2.462 30 10 IEEE C#CCC[C@H](CNC(=O)OC(C)(C)C)Oc1ncnc(O)c1I 1992438298 XPYWWSNAESDHGU-SNVBAGLBSA-N 433.246 2.472 30 10 IEEE CC(C)(C#CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)NC(=O)OC(C)(C)C 2023919446 WLNNFTWXFUYADR-HOTGVXAUSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(N)c(Br)c2)[C@H](C#N)C1 2106650562 DBENOMVGWFJJJX-LLVKDONJSA-N 445.339 2.165 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124520210 SEDKCHCVDZXTRV-AWEZNQCLSA-N 447.345 2.249 30 10 IEEE C#CCn1ncc(NCCO[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2165423889 XJHCUIZPLGECNK-ZDUSSCGKSA-N 441.326 2.077 30 10 IEEE CC(C)(C)OC(=O)NCCCN(C(=O)C(=O)NCC#N)c1cccc(Br)c1 2174820026 SKOOXGXAEYWSJV-UHFFFAOYSA-N 439.310 2.337 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2247822716 ILWUIDLNFFKPIX-UHFFFAOYSA-N 437.371 2.245 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H]2C[C@@H]21 2247831825 FHZGYKJWHREVIH-KBPBESRZSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247836182 XYDPBRKKOHGGIY-CQSZACIVSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247920906 GBGROTWMLOMNAU-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2ccnc(N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)c2)OC1(C)C 2254802290 MRCDVMZCZXYNBL-QEJZJMRPSA-N 425.260 2.417 30 10 IEEE CC(C)(C)OC(=O)NCCC1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631734 DERIMKDLTLILEN-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE C[C@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255655714 PZRQMEZFPNXLPL-WCQYABFASA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255697941 FCNCCAUMUZKKJR-FPTDNZKUSA-N 429.326 2.120 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N(OCc3ccccc3)C3CNC3)c(F)c2)OC1(C)C 2255818783 QDHZBGOLPLTQJQ-UHFFFAOYSA-N 427.285 2.066 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255833322 AYIUPKMJVKTENT-CQSZACIVSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256034231 HSTNLPJPPAEZNN-CVEARBPZSA-N 433.358 2.032 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCCN1C(=O)OC(C)(C)C 2267123519 UYNGWOXXCNBSMS-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129327 ZRMLBGZEGTZRGR-MJGOQNOKSA-N 438.381 2.217 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267144759 BLTQYXOLBNIBKP-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267166784 XGHOILFCUWMCJJ-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE COCC[C@H](CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267270627 MPACHFSNLOCZNJ-QGZVFWFLSA-N 449.357 2.040 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1Cc1ccccc1 2267501230 UZDWCFXMHPOBOJ-ROUUACIJSA-N 438.381 2.454 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1Cc1ccccc1 2267506130 SNIJFWGRXDJILX-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CC(=O)O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296185166 AFTCQWMDAGOMEO-GOSISDBHSA-N 426.381 2.500 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2300340845 VMSYUKXDTHKYII-KBPBESRZSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2305240669 JPXFIDSFAWZNRR-YYDVJCTNSA-N 428.533 2.454 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2334261816 HPTAUVWMXZUHEL-WMHQRMGPSA-N 446.357 2.131 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CC(NC(=O)OC(C)(C)C)C1 2337206738 RTEQFJWVAZKNAE-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE COc1[nH]c(=NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2339787653 DARNWBFBVKWNRS-HOTGVXAUSA-N 445.369 2.336 30 10 IEEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc(F)cc1F 20291983 GLDZOHLDZBYAMK-ODCIPOBUSA-N 448.415 2.355 30 10 IEEE Cc1c(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 33811882 GRAODYINFSGHHN-XNTDXEJSSA-N 446.554 2.232 30 10 IEEE COc1ccccc1[C@H]1/C(=C(/O)c2ccncc2)C(=O)C(=O)N1CCCN1CCOCC1 102543773 VEYXOCNRPUAVSS-AGGMBTAESA-N 437.496 2.234 30 10 IEEE CC(C)(C)NC(=O)CCN(N=Cc1cccc(O)c1O)C1=NS(=O)(=O)c2ccccc21 254746933 NRTBRHJSTFJEJC-UHFFFAOYSA-N 444.513 2.188 30 10 IEEE CC1(C)OB(c2cccc(Cn3cncc(I)c3=O)c2)OC1(C)C 310623538 IPVVWTZJVZELCI-UHFFFAOYSA-N 438.074 2.195 30 10 IEEE C[C@H](C(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1)n1cnc(C#N)n1 409463657 GBBSAIYYFPJWPK-GOSISDBHSA-N 444.495 2.274 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)CC2)n1 429044956 VJSKZOPMWAABOW-QFIPXVFZSA-N 434.544 2.076 30 10 IEEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)ccc21 438618253 HJCORWCGDDQORM-UHFFFAOYSA-N 433.468 2.096 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2)cc1 474490446 CJNCOGRHLATYQK-UHFFFAOYSA-N 432.546 2.068 30 10 IEEE CCOC1CC(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)(N2CCOCC2)C1 474749223 KWWUTWNEYGQQOH-UHFFFAOYSA-N 442.560 2.381 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C#N)CCOCC2)C1=O 475586831 MODMQECXCTWCJX-ROUUACIJSA-N 427.501 2.107 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 477794980 VJHUVMDLYFNPQB-LJQANCHMSA-N 429.517 2.356 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)c(F)c1 481034609 GOCJPLFLUBNFKR-UHFFFAOYSA-N 428.489 2.266 30 10 IEEE N#CC1(NC(=O)CCn2c(=O)nc(O)c3ccccc32)CCN(Cc2ccccc2)CC1 482579358 REKDJTLMWLBAII-UHFFFAOYSA-N 431.496 2.167 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(I)cc2)CC1 486062679 WDTJRSLWIARLHW-UHFFFAOYSA-N 432.265 2.449 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 487360186 FNSALPGPVZTVGB-JOCHJYFZSA-N 445.523 2.263 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C#N 489072362 KCPQEVIVWHTZPC-UHFFFAOYSA-N 428.558 2.311 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](c4ccc(F)c(C)c4)C3)CC2)o1 491208527 RIPNITBCRFLIQF-FQEVSTJZSA-N 427.480 2.024 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N[C@@](C)(C#N)C(C)C 495420866 LTKVMIJVUQQPPR-KZTDQWPFSA-N 446.640 2.270 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)cc(OC)c1OC 505501734 SNTBJLGTYTWSSQ-VQIMIIECSA-N 426.473 2.243 30 10 IEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 508739892 MTLPVUMDRHCXHT-MRXNPFEDSA-N 434.504 2.489 30 10 IEEE CN1C(=O)C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 514753541 HAFWGJHKGKHRSS-VQIMIIECSA-N 436.896 2.081 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 554094575 RJYZTHFLTZGWGC-SNVBAGLBSA-N 430.408 2.283 30 10 IEEE COc1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CC2)ncn1 555396521 VNHSGHKHQDHYMK-LJQANCHMSA-N 446.515 2.121 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCc2ccnc(OC(F)F)c2)n1 569512880 JMAIUTQMVXAKSG-UHFFFAOYSA-N 446.801 2.649 30 10 IEEE CC(=O)c1ccc(C#N)cc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 575366836 OSFNEXBLXAZPNR-UHFFFAOYSA-N 427.511 2.276 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1-c1ccccc1C#N 604000826 CXXKVLQSAJVQQI-UHFFFAOYSA-N 442.544 2.417 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4cccc(F)c4)CC3)C2=O)cc1 609604554 KTPRNTBOXSZYFD-HXUWFJFHSA-N 435.459 2.251 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(N3CCNC3=O)ccc2F)cc1 609990479 NAPSCXDTGYNNRJ-GOSISDBHSA-N 439.472 2.381 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1[N+](=O)[O-] 615889913 JMZVSQVKZIBQEF-ZDUSSCGKSA-N 435.387 2.223 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2C[C@H]2CCCO2)cc1 619853003 RKPYIBWFAQHHCP-HXUWFJFHSA-N 435.532 2.334 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCO1 619853445 WQWMIAHCIIRFCR-FOIQADDNSA-N 447.540 2.168 30 10 IEEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(F)cc1 728422254 GBRJDVNKEBMEGO-KRWDZBQOSA-N 439.472 2.404 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC 729669650 SIRDVLWMCJKJNH-HNNXBMFYSA-N 440.594 2.429 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccc2F)cn1 730143744 DKCKLWCXBBVFRN-SFHVURJKSA-N 446.552 2.242 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3OC)c2=O)cn1 735068886 HOPPUSMPJKZMNA-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)C2CCOCC2)n(-c2cccc(F)c2)c1C 740973278 RQXCNIQYVQIUOL-FQEVSTJZSA-N 429.448 2.374 30 10 IEEE C[C@H](NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc2c(c1)CCCC2 741339709 IDPSLAZFWIFNRE-QTUOYIBBSA-N 425.485 2.202 30 10 IEEE C[C@H](OC(=O)c1n[nH]c2ccc(I)cc12)C(=O)N(C)CCC#N 745475866 QNNIQVQWWLJLPN-VIFPVBQESA-N 426.214 2.085 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)CC2)c1C#N 763606696 OMDKPMFGOKBHRO-YJBOKZPZSA-N 445.568 2.077 30 10 IEEE CN(C)c1nccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 775659634 ZTXGEDRRRMTBJQ-KRWDZBQOSA-N 442.520 2.482 30 10 IEEE Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 779908918 AOEDAIKYCRTELC-GFCCVEGCSA-N 436.881 2.118 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)/C=C/c1cccc(Br)c1 780749946 IQXWQHWMBQKWBJ-RUDMXATFSA-N 438.307 2.293 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCC2(O)CCC2)C1=O 790001760 RQGJOWBNAXQTCP-KRWDZBQOSA-N 436.553 2.130 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2I)cc1 796728258 MRQSEMDCOTXINY-UHFFFAOYSA-N 440.262 2.352 30 10 IEEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1C#N 803219090 NLCVPCWHBLCRDR-KRWDZBQOSA-N 426.542 2.273 30 10 IEEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccc(F)cc2)n1 807932321 XHSDLIFMIYWENB-CYBMUJFWSA-N 444.414 2.155 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(F)cc1Cl 813746182 PDKDRNDCZQCOHJ-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE CC(C)(C)OC(=O)NC1(c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)CC1 904997880 OVWVLDWBMCJHRA-UHFFFAOYSA-N 447.517 2.255 30 10 IEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)c1 1084167109 ZJVLZVRYRVJPMY-UHFFFAOYSA-N 443.445 2.035 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1140964580 PLDRWFBYZRMBOL-RTWAWAEBSA-N 428.510 2.441 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1)C(=O)OC 1141994870 BRAWGHGVGKWKCP-SFHVURJKSA-N 444.509 2.353 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1[nH]cnc1CCN2C(=O)[C@H](O)c1ccc(C#N)cc1 1167473802 QCAITTWJQOIIBW-WZONZLPQSA-N 437.500 2.236 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 1177580114 WLSYWBBOFWZDMT-FPOVZHCZSA-N 433.574 2.385 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC2)CCN1C1CC1 1261880101 PSTXIVATUUAADZ-WMZOPIPTSA-N 426.496 2.209 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCCS2(=O)=O)c1 1264677082 RDAUAOXZSVRMSW-MXTRNAPSSA-N 441.575 2.185 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1286388454 PHBWYJWCGRBBPW-QAPCUYQASA-N 429.571 2.195 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286390590 BRSQDNXFGQFCNK-NRFANRHFSA-N 443.617 2.030 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C1CC1)N(C)C 1286431914 SQLKGQJCCQLQHL-QFIPXVFZSA-N 446.603 2.255 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1286454698 ZXGWHWHLTSYEFI-IBGZPJMESA-N 425.533 2.353 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286533581 YCKJTVHQEJOTEQ-HZPDHXFCSA-N 446.305 2.086 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286606775 AIRUSGCOQRZUGT-UHFFFAOYSA-N 429.569 2.460 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC(=O)N2CCOCC2)CC1 1286648689 GZTPWFYDPOSBDH-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1C(C)C 1286787732 IYCALGJJXOYMOO-IBGZPJMESA-N 438.580 2.379 30 10 IEEE Cc1ccc(-c2nn(C)cc2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1290636728 URIKOHFQONKBFS-UHFFFAOYSA-N 439.497 2.007 30 10 IEEE CCn1cnnc1Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1295969071 OHOCADHZGAXVSD-OAQYLSRUSA-N 428.541 2.108 30 10 IEEE N#Cc1cn(CCC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)c(=O)nc1O 1300131951 PJZMPDIJQLXHNI-UHFFFAOYSA-N 436.390 2.347 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1300432755 ZWZGLMFKIKKQKC-DEOSSOPVSA-N 445.608 2.423 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300495150 DOLQTRXVDDTPSC-LJQANCHMSA-N 435.638 2.368 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300506159 NRHKBIDKSNUJQB-WOJBJXKFSA-N 428.558 2.307 30 10 IEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1300635020 AFQSCLNIPORQQA-FCQUAONHSA-N 443.511 2.267 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300664388 ABNYMGKOSNRQKC-FDDCHVKYSA-N 426.517 2.378 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)OC 1301028936 CCVBUTXJWDGJOH-DYXWJJEUSA-N 441.532 2.253 30 10 IEEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301051115 IOAKLVLMUCODJJ-SJLPKXTDSA-N 429.908 2.394 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1301370503 FOEDHHQDTONUDB-HSALFYBXSA-N 430.597 2.495 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)ccc(F)c2C1 1301479396 YWYSQUWCYIYKHL-UHFFFAOYSA-N 446.502 2.340 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCOC[C@H](C2CCC2)C1 1301509808 NKIZLYBTYGJCNM-HXUWFJFHSA-N 439.560 2.455 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2cncn2)C1 1301547464 ZORNDIMBUOLVKR-KRWDZBQOSA-N 425.493 2.035 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1301611405 MAEDCGATEMGMRG-DLBZAZTESA-N 443.639 2.155 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301617389 DWTOVTXCLJXJCO-FXAWDEMLSA-N 432.638 2.139 30 10 IEEE C[C@](O)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1303889346 CTEXPOGARLRPIH-PMACEKPBSA-N 444.492 2.212 30 10 IEEE CCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC 1310523036 GHZKGIAUDXGKDN-MRXNPFEDSA-N 449.508 2.315 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1313963292 JMKOGUICRYSGSV-LJQANCHMSA-N 447.547 2.412 30 10 IEEE Cn1cc(Nc2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1314907185 MQBRFHOPPYRAEQ-VXPUYCOJSA-N 436.451 2.012 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC(F)(F)CO2)CCO1 1316538773 AOQQQTIZVMUBPK-OLZOCXBDSA-N 425.386 2.300 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(CN4CCN(C)CC4)c3)cc2C1=O 1318251189 VJWJCKQEYSGDOX-UHFFFAOYSA-N 432.524 2.146 30 10 IEEE CO[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccc(Br)s1 1349463359 JBJYDSCXWQTEQZ-GFCCVEGCSA-N 426.296 2.268 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C1CC1 1358983791 WSGKUZAIJWQGGW-XAEMIUIASA-N 427.549 2.283 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)F 1359016627 ICXZFEIHBOXDBO-INIZCTEOSA-N 435.450 2.332 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1359266535 DPCJWOYHTPNZPY-UHFFFAOYSA-N 426.912 2.217 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC=C(COC)CC1 1359296320 FJKLTLIWLGUDQC-UHFFFAOYSA-N 427.505 2.047 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)N2CCOCC2)C1 1359316161 JHFQEPNDFFDSJH-NQIIRXRSSA-N 427.549 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N2CCCCC2)CC1 1359330433 RKXDKVNJHPKCTM-UHFFFAOYSA-N 446.621 2.339 30 10 IEEE CC(C)CC[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1359898568 AQTXOMDTOVKRBA-AUSIDOKSSA-N 437.548 2.433 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)[C@H]3CCCC[C@@H]32)s1 1452965235 BKZYJFQDPDJBKY-IKGGRYGDSA-N 440.587 2.335 30 10 IEEE C=C(CCC(=O)OC)C(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1453516304 CFVZZODICWYJNG-KRWDZBQOSA-N 439.553 2.202 30 10 IEEE COc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1S(=O)(=O)NC(C)C 1454246922 OANUYDFZVBOUIU-UHFFFAOYSA-N 428.514 2.190 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)ccc1F 1454689387 AIIOZFZULTUHJI-UHFFFAOYSA-N 429.517 2.248 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 1463921691 AZYWGIUBGSCHJB-UHFFFAOYSA-N 429.926 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1464925082 LVMFTRTVUBYVNL-KIJUOZEOSA-N 432.521 2.056 30 10 IEEE C#CC[C@]1(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1467344825 QPRMUMBYZZMYCM-JXALWOEJSA-N 432.609 2.454 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](N3CCOCC3)C2)n(Cc2ccco2)c1C 1473489669 FHMJZLCHWIRMBU-IBGZPJMESA-N 425.533 2.353 30 10 IEEE CN(C)c1nc2c(s1)CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)CC2 1473764012 OAQJRGXADNUEBY-IBGZPJMESA-N 442.564 2.115 30 10 IEEE CN(OC1CCCC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503643918 NHDJKSQJSWMGKJ-QZQOTICOSA-N 437.504 2.101 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1504971139 BEXJZGVSQWWTRF-ZHRRBRCNSA-N 426.521 2.279 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1cccc(C(F)(F)F)n1 1507541336 JDAWRUJTCLJUFN-CQSZACIVSA-N 436.438 2.351 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507558079 VLHCUUDUSXWXFM-MOPGFXCFSA-N 447.609 2.347 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1507593842 VKAUDDBCPJHGGM-KRWDZBQOSA-N 442.589 2.424 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN(C)c2ccccc2)CC1 1507715605 FBQGFXATKHWPAC-UHFFFAOYSA-N 437.592 2.088 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C2CCCCC2)CC1 1507879027 CLMFHYPLXBHFOR-OXJNMPFZSA-N 425.599 2.376 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCS(=O)(=O)C1 1508027331 ZNALRONUQCZKSY-IBGZPJMESA-N 438.557 2.405 30 10 IEEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508392838 UTRWZXZWDZDOQV-OAQYLSRUSA-N 431.500 2.316 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCn1cncn1 1509663943 ZKYJCELCWDIYBM-FQEVSTJZSA-N 447.547 2.039 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC(C)(C)O1 1512418964 HICVWVIITNHLLU-ZDUSSCGKSA-N 436.438 2.499 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517223978 HBZVQCSGACGGCV-RWNPKEDZSA-N 428.537 2.467 30 10 IEEE C=CCn1cc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)nn1 1525093628 BAZASGULYRJWOH-UHFFFAOYSA-N 426.502 2.415 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1539084944 FSINFHUNVMIOTL-LJQANCHMSA-N 434.544 2.417 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cccnc2OC)CC1 1539461931 NBOMHTGRIYROMA-UHFFFAOYSA-N 436.491 2.203 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1539527018 YYHQFCNIOOQXNY-QGZVFWFLSA-N 425.514 2.094 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1539600254 POSZDFTZIBSWFP-PBHICJAKSA-N 445.383 2.096 30 10 IEEE C=CCCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1540020635 KXMCUYDNENPYME-JOCHJYFZSA-N 427.553 2.321 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1540047518 JLGFMAAAZQYFNQ-FZKQIMNGSA-N 427.958 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cc(C)on1 1540900306 QXKWBBKSSHAPFU-UHFFFAOYSA-N 445.501 2.207 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCN(c2ccncc2)CC1 1541111178 GRPKCSJNWCUZTJ-IBGZPJMESA-N 433.564 2.476 30 10 IEEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1541163624 REJDLKFOWDDQEL-SQNIBIBYSA-N 435.532 2.307 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1543860522 ONDZGZIDQGZGQE-RBZFPXEDSA-N 431.541 2.488 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)s1 1546400945 ABNZMWWILDPLEN-UHFFFAOYSA-N 436.545 2.371 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)cc1 1554967639 FNKBOOFLNVKMPJ-MAUKXSAKSA-N 426.521 2.376 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1555321922 ACVWHEZNCGABAD-QHCPKHFHSA-N 439.516 2.317 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)C1=O 1556383456 RFONRLPXHSTKML-GAJHUEQPSA-N 435.565 2.164 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](OC)C[C@@]1(C)CO 1557919786 XUNYDDCYHYIWHH-ACJLOTCBSA-N 427.295 2.097 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1569818525 RWJSOVIVCWASIL-MRXNPFEDSA-N 426.477 2.005 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCn2ccnc2C1 1587905088 UJDBMLJQPPPBHU-KRWDZBQOSA-N 437.935 2.390 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588030419 UUHRRVCKOPGUKG-MOPGFXCFSA-N 435.638 2.467 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCN1CCCO 1588094220 VDRBPNCFLUJFDR-NRFANRHFSA-N 443.555 2.255 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)COCCO1 1588574219 ANZUAOXIYJRKDC-HSZRJFAPSA-N 441.532 2.039 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCc1ccc2c(c1)OCCO2 1588660126 QPSNSYGMCZWOQL-UHFFFAOYSA-N 433.512 2.364 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1588975394 GOIFUBOEVQURLR-QGZVFWFLSA-N 443.573 2.449 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1589381443 CEWFLQHECRSFFF-CQSZACIVSA-N 434.342 2.385 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1589403357 AABWSHIYRYDJDV-IIDMSEBBSA-N 427.343 2.465 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C(N)=O)c1 1593873346 VSTSMFBMRLLSGE-UHFFFAOYSA-N 428.880 2.494 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1\N=CC=CC1=O 1594885378 FVEHYGSTJUAEJH-LSDHQDQOSA-N 444.499 2.484 30 10 IEEE C=CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1595065046 HOUZRXVOPRLMGG-UHFFFAOYSA-N 442.539 2.315 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1595302717 CYAHUYZEYWPKNS-OALUTQOASA-N 425.533 2.474 30 10 IEEE CC(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1607247805 FDJZSSHTBOVUJD-INIZCTEOSA-N 426.521 2.380 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1611308141 MBYKJGIKKNBMJR-PKOBYXMFSA-N 425.537 2.190 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1Cc1ccc(C#N)o1 1613320331 MKIIHHWMYZVYIN-HNNXBMFYSA-N 434.504 2.125 30 10 IEEE CCN1CCN([C@H](C)Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1615846346 XOJVYWRTMMTGHW-TXTKFYIRSA-N 447.628 2.083 30 10 IEEE CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1617602387 DBCGGTRUJJRLJL-NRFANRHFSA-N 445.527 2.192 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2ccccc21 1619912626 HVVLQFSNGWPWHL-RTBURBONSA-N 443.573 2.277 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)c1 1624184171 QPFKJQDHDNFTDN-UHFFFAOYSA-N 440.521 2.090 30 10 IEEE CC(C)(C)c1cc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)n(-c2ccc(C#N)cc2)n1 1624687313 BMTSXWRFEGGGCH-INIZCTEOSA-N 430.534 2.326 30 10 IEEE C=CCC[C@@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1627412843 UTHYHMBLQFXHHF-QWHCGFSZSA-N 429.468 2.455 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 1628278963 GXKWASKFTIEIGJ-UHFFFAOYSA-N 438.289 2.253 30 10 IEEE CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1630397144 DPCZISSRMXOYIB-IEBWSBKVSA-N 440.500 2.045 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1633175322 AGZLFMQMEIJVOK-NXHRZFHOSA-N 444.391 2.486 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)c1 1634972913 SIWTUHKJDIHUBW-AWEZNQCLSA-N 447.488 2.149 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)c1 1638167146 OZDBFNQGHFLALY-QGZVFWFLSA-N 447.879 2.309 30 10 IEEE COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1639813903 AZNCFDWHUJWRNB-INIZCTEOSA-N 444.557 2.107 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC(c3nc(N)n[nH]3)CC2)cc1OC 1641802752 ZKROVEJANMBPEO-UHFFFAOYSA-N 430.509 2.331 30 10 IEEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OC 1644819276 GAZKVVWGBLYPHQ-KRWDZBQOSA-N 426.510 2.241 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN(C(=O)CNc3ccc(C#N)cn3)CC2)CO1 1645864492 ZCQPGOMPGPHFBD-KRWDZBQOSA-N 429.521 2.288 30 10 IEEE NS(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)co1 1645936934 HTJBJBACYANHLI-BQBZGAKWSA-N 442.284 2.170 30 10 IEEE C[C@]1(C#N)CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1646252077 IWBDPBSMECLULM-HXUWFJFHSA-N 425.470 2.445 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)O1 1649588242 DIVGFLFLVAYNIV-RZQQEMMASA-N 438.598 2.366 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CON(C(=O)OC(C)(C)C)C3)ccc2c1=O 1651247685 NHGBGFCOEQZBGC-CYBMUJFWSA-N 432.502 2.152 30 10 IEEE C#CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1655587368 YWZOLSGBKOPZNN-NRFANRHFSA-N 445.608 2.013 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 1659746860 PJITYCVAGJCKEA-VQTJNVASSA-N 435.613 2.448 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689980107 LTENFNQNEWGWKJ-OAGGEKHMSA-N 428.649 2.267 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1690011246 HUBHHUQURAWYME-HSZRJFAPSA-N 440.551 2.418 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCCCO1 1690013324 KJVIJUSQLJVINT-GOSISDBHSA-N 440.573 2.270 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1690077918 ZNKFPAFPBPYUFX-ZWKOTPCHSA-N 433.578 2.316 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1690265739 UGPUYSFCPQAXJV-KRWDZBQOSA-N 443.639 2.301 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690394975 SWMRFCXEXPJSNU-MRXNPFEDSA-N 444.502 2.082 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690478474 YKUZOBPWQLGHFW-INIZCTEOSA-N 447.561 2.406 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1690528246 YMNUKCHMFPHGFU-PKOBYXMFSA-N 433.578 2.427 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)OCCO2 1690609101 DBTWRSBXDFNGPN-UHFFFAOYSA-N 441.532 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1690668116 STSGEXMPRNDDOS-UHFFFAOYSA-N 444.499 2.318 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1690687699 HRKNCBOSNLFKAT-GAJHUEQPSA-N 441.532 2.222 30 10 IEEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1693192507 AFFGKNJWLOWLDI-FQEVSTJZSA-N 431.566 2.106 30 10 IEEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1696873140 AAESQLXTACSYNB-GOSISDBHSA-N 447.547 2.125 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705516373 ZSJPKRFLSHKYQW-HSALFYBXSA-N 431.581 2.343 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705562886 LZGHOMLOFVGMPA-CQSZACIVSA-N 428.436 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](COC)OC 1705581535 DPIWOJVMFFGIKM-LJQANCHMSA-N 445.564 2.127 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCCS1(=O)=O 1705587431 UWQPHGBIWWCORK-HXUWFJFHSA-N 440.569 2.460 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705621648 JTUOLPFLRUIFTF-QYZOEREBSA-N 437.610 2.082 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCCCC1 1705630134 HTRMKEGDDPGGFU-UHFFFAOYSA-N 431.562 2.051 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705632217 JGAMZOAIKPZBJR-QUCCMNQESA-N 430.597 2.013 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](OC)C(C)C)CC1 1705634380 TWHIHLBCSHFMQO-KRWDZBQOSA-N 435.370 2.462 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(N(C)C)CCSC2)CC1 1705636338 GKCMWGGVYQCBCN-OAQYLSRUSA-N 446.024 2.186 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN(C)C(C)C)CC1 1705642999 PFEILXJEMXPJME-UHFFFAOYSA-N 428.556 2.482 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705693533 HSACKRONMQSLFA-BZSNNMDCSA-N 448.568 2.112 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705702292 GRFPSTJSQXNUNS-BJLQDIEVSA-N 439.564 2.459 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705737649 WYLDLKBFIVWJFA-DLBZAZTESA-N 432.525 2.459 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1705740520 NYEZLCYAFWSFJM-MRXNPFEDSA-N 431.468 2.230 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1705883704 RNYYGMMNCYRKJA-MRXNPFEDSA-N 440.504 2.038 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1706074898 GOPCSOKUQRWLJH-SZVBFZGTSA-N 448.568 2.218 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)c1nccs1 1712561046 GJYKGIMGIJDTSN-LZLYRXPVSA-N 445.593 2.439 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccnc(-n2cccn2)c1 1712625073 RQPYNLYFSOFTGO-QRFRQXIXSA-N 436.520 2.227 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C 1722355280 SGDPPSAHJUUKSS-PNLZDCPESA-N 433.553 2.207 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1722362504 BIYXCDHBHHDKGB-QRQLOZEOSA-N 428.558 2.422 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722362660 VQZMNTGULBBJPF-FQEVSTJZSA-N 437.569 2.461 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722366531 RKFGADFFIIOBDW-ZWKOTPCHSA-N 432.571 2.250 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)CC1 1722442101 SNWGWFGINFSLTE-VQTJNVASSA-N 439.560 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722446405 VIGIMLFZKYXZQK-IBGZPJMESA-N 426.590 2.486 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722488167 BSCBJXLRFORYTR-INIZCTEOSA-N 431.338 2.374 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1722543088 MDIONFGOTLWVMV-UAGQMJEPSA-N 434.953 2.384 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722563989 FFCITEJCNOLGCG-GHTZIAJQSA-N 438.594 2.442 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)CC1 1722580669 FMLHLSDXSGXDHX-RTBURBONSA-N 435.594 2.370 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1722603629 KJJMAYKOCNLGKG-HZPDHXFCSA-N 447.552 2.449 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CCN1CCN(C(C)=O)CC1 1722675563 OREAMGREGSDRSM-UHFFFAOYSA-N 449.559 2.332 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1730401256 GGPTWVXSWBKKLL-PZJWPPBQSA-N 433.516 2.337 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1731011571 GRQMMXBCBIOERP-MRXNPFEDSA-N 449.968 2.157 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCN2CCCO)CCO1 1731186621 FKAVYIUUDKMCGK-FGZHOGPDSA-N 438.576 2.029 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740623319 RFKUVPDYCGTDOA-RBUKOAKNSA-N 444.605 2.006 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740876506 IZGFCAGIRYBWOR-IBGZPJMESA-N 447.561 2.229 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CCC1 1740953266 ZUZQRAROPPYKOV-UHFFFAOYSA-N 445.593 2.085 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1740955279 OSQCVQQUJHNXSV-INIZCTEOSA-N 429.521 2.268 30 10 IEEE CC(C)(C)[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741178288 INNOWRDGDMYBQV-SKOAFDGASA-N 428.537 2.181 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1741803126 NSUHRPNGPIHNEO-MAUKXSAKSA-N 429.546 2.292 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1741806737 ABVXSRQOUGRNDK-CQSZACIVSA-N 427.509 2.042 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1744688837 FZKZFHYEZJEHPM-JXFKEZNVSA-N 428.512 2.229 30 10 IEEE CCCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1745601365 FTOWNDXPVTWQFI-QURGRASLSA-N 448.531 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(CC(C)C)C1 1748842640 QDOBGJZRZPFJLB-IBGZPJMESA-N 436.560 2.447 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)cc1 1748941032 VBYRSBCWNPRKAA-PMACEKPBSA-N 425.533 2.200 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1cc(C(F)(F)F)ccn1 1748958729 HSMAUJSTUGXBTI-UHFFFAOYSA-N 433.438 2.421 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1749120785 HLSUDTWKKYLXPQ-QUCCMNQESA-N 440.548 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749140854 UAWSRMRUAJZNNF-ZJOUEHCJSA-N 430.553 2.206 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749220868 ROWJSTBVQOIXKU-UHFFFAOYSA-N 440.592 2.493 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749425213 YRHXLFLDOSMSHG-WIYYLYMNSA-N 438.580 2.080 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749462403 VPSUPQLTTRKHEW-GOSISDBHSA-N 443.552 2.156 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1749489339 UPOMLXOTLGGIBP-INIZCTEOSA-N 444.536 2.370 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(C)C)C1 1749663855 SCVNPYPQJGIAPK-FQEVSTJZSA-N 435.532 2.294 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1750197986 ATAWBYMFOVCFAL-HXUWFJFHSA-N 430.509 2.474 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760095643 UTXPDCSZNLLSNL-CQSZACIVSA-N 440.495 2.132 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CC(=O)N(CCOC)C1 1760170678 MKJLDOIHKUJXNB-KRWDZBQOSA-N 434.500 2.164 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)[C@H](C)C1 1760325140 OIXCFVGNNCLQHE-NWSQWKLXSA-N 440.592 2.402 30 10 IEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760508023 BKAWSTKBAVNTIH-GHMZBOCLSA-N 427.324 2.315 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760522308 QQYNJPWWXJUELV-FCEWJHQRSA-N 427.505 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@@](=O)C(C)(C)C)C1 1760549421 DMCCXUNKMCTHFX-VPTFNQTCSA-N 434.610 2.468 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760560352 SONIUYXATXIMFZ-KXBFYZLASA-N 445.655 2.449 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1760698016 AVMCYHYWDUPLQM-XHSDSOJGSA-N 431.541 2.225 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1761554687 WYRKHVHNMXRERG-LBPRGKRZSA-N 432.422 2.276 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC(C)(C)O1 1763089081 FBERXEZUIHVNOJ-DOTOQJQBSA-N 429.546 2.255 30 10 IEEE CN(C)C(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1766863982 BILJQCPXGDVRGX-HXUWFJFHSA-N 437.548 2.196 30 10 IEEE Cn1cccc1-c1nnc(N(CCO)CCOCC(F)(F)F)n1Cc1ccc(C#N)o1 1769031989 LPCOEPJNJHYONY-UHFFFAOYSA-N 438.410 2.174 30 10 IEEE COCCOCCn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770159894 QIGKNUXKUPDWSO-UHFFFAOYSA-N 434.500 2.452 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1770664216 FCFJNCHAALIHKV-RIFZZMRRSA-N 427.505 2.364 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccccc2F)CCO1 1770751772 MXUGSFGJMPXWQR-INIZCTEOSA-N 440.504 2.228 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1771030584 WPILBZRKTHXBJV-UXHICEINSA-N 438.532 2.403 30 10 IEEE Cc1c(C(=O)N2CCN(CCC#N)CC2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 1848463723 BSTQOZMINHZYRS-UHFFFAOYSA-N 434.504 2.421 30 10 IEEE Cc1cc(C)n(C[C@@H](C)C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1851497917 UHHXURDSQCESBQ-VGSWGCGISA-N 426.517 2.331 30 10 IEEE CCS(=O)(=O)N1CCN(C(=O)C[C@H](c2ccc(C#N)cc2)n2c(C)ccc2C)CC1 1851803767 ZELSFGKDFVUZPI-OAQYLSRUSA-N 428.558 2.450 30 10 IEEE Cn1nncc1CN(Cc1nnc2n1CC[C@H](C(F)(F)F)C2)C(=O)c1ccc(C#N)cc1 1853417849 OUDOUFULIODCLZ-HNNXBMFYSA-N 444.421 2.246 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2cccc(Oc3ccc(F)cc3)c2)CCN1S(=O)(=O)CC#N 1854723684 ZBHOFSKFSJWXOM-AWEZNQCLSA-N 431.445 2.144 30 10 IEEE CN(CC(=O)N1CCN(CCC#N)CC1=O)c1nc2c(C(F)(F)F)cccc2s1 1856052727 HVTSXVPRYDDVNP-UHFFFAOYSA-N 425.436 2.336 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)C[C@H]3CCc4ccccc43)C(=O)O2)CC1 1856611133 AMVXXTCXUYUYAU-MJGOQNOKSA-N 431.514 2.019 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCSc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857282905 AZFJGQPDLZOTMB-QFBILLFUSA-N 433.549 2.402 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862630511 VSUUAYVVUMILKK-ZMZPIMSZSA-N 426.381 2.283 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1C(=O)O 1862757535 IPPADADKPIPXLQ-DIFFPNOSSA-N 426.381 2.252 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)OCO2 1870099188 SIBHZDCCMPCNBP-UHFFFAOYSA-N 433.833 2.330 30 10 IEEE COc1cc(-n2nnc(C#N)c2NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OC 1870154799 IVOZDHZDNQNDLM-UHFFFAOYSA-N 438.400 2.254 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)cc2O)CC1=O 1874279357 ADFATWGBXNFTPA-VPNURPJOSA-N 433.534 2.160 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1ccccc1[N+](=O)[O-] 1874313312 OHIAEHPDGZKXSP-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)cc1 1891973511 RXYDVAGGBLGCFE-UHFFFAOYSA-N 428.514 2.277 30 10 IEEE C[C@@H](C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1)N(c1ccccc1)S(C)(=O)=O 1892167393 QTCIHTCAWSKZBA-HKUYNNGSSA-N 442.541 2.425 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)C1 2020880274 CKNGQTITNFLCLW-HNNXBMFYSA-N 437.537 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2052712961 SYFWDMZQNPPCOM-MOPGFXCFSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2055636774 ZJNGIAPMVUUBGD-UHFFFAOYSA-N 436.358 2.288 30 10 IEEE C=C(C)Cn1nc(C)c(CCC(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1C 2068815376 GFFGJBQRHKQWOJ-RTWAWAEBSA-N 437.588 2.406 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cc1C#N 2174785287 XGLXAIPDTMUONM-INIZCTEOSA-N 442.419 2.397 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2221369877 CMDATXHCJIXRSR-OAQYLSRUSA-N 430.314 2.280 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2222525374 IPJRYXIKJJLFET-JOCHJYFZSA-N 436.358 2.430 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224103716 XJDRAWRPUSYFER-INIZCTEOSA-N 433.358 2.107 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2229101864 SDXLCXMRZORVOQ-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#CCCO 2229108146 SQFBQVVCZIRWTP-INIZCTEOSA-N 425.323 2.387 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247907867 JTOBAHPLAUVUJJ-AOMKIAJQSA-N 425.363 2.447 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627830 YZKWKTXWNBKQTI-UHFFFAOYSA-N 434.346 2.038 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631814 FEQCAYKZAGHGDW-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255698535 RBPDSDMAPBEZRJ-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2267008110 BTTUNWZPKRPKQZ-OAHLLOKOSA-N 448.325 2.275 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2267143142 DFKWYCKXWXVGSW-FPTDNZKUSA-N 448.373 2.332 30 10 IEEE Cc1c(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267195553 ADCOZKXDCHFTTF-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE CN(C[C@@H](O)CN(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267268867 ADKSRSJTFPLHGI-SFHVURJKSA-N 448.369 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2267272704 CBJRAXCHLHYZIB-YJBOKZPZSA-N 443.353 2.462 30 10 IEEE CCn1cc(C(=O)NCc2nccn2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267490152 NPSMVAJAFWKPFW-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504299 QOOZWGRBCMLMPP-CQSZACIVSA-N 448.373 2.237 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2267519675 IDVCMAYXZJRPQO-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE CC1(C)OB(c2cncc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2267595448 WDFFSYQZSXPBRV-OAQYLSRUSA-N 437.349 2.012 30 10 IEEE CC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC(NC(=O)OC(C)(C)C)C1 2267874183 XQGGBDJKWUSYMB-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)O1 2268638709 VFLMOVMKRCNLED-HZPDHXFCSA-N 447.341 2.392 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334263969 YCQLWBPAPHHJEQ-DJIMGWMZSA-N 443.353 2.427 30 10 IEEE C=C1COCCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 2379838843 OKKXIVOBSNEPOG-UHFFFAOYSA-N 426.130 2.371 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2C1=O 3567079 PHYPQJRGHWOFIJ-UHFFFAOYSA-N 427.344 2.311 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472620 DXCSRYDKPZSWPK-YJBOKZPZSA-N 429.436 2.377 30 10 IEEE C#CCN(CC(=O)Nc1scc(CC(C)C)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 111192402 GFUHSOBJDNVKGG-MRXNPFEDSA-N 440.587 2.184 30 10 IEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccncc2)cc1 170359109 LEUDYTVUFZMQHZ-QGZVFWFLSA-N 425.422 2.105 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)o1 427987911 CJZPUTNANKXGSF-UHFFFAOYSA-N 430.305 2.122 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCC(Oc3ncccc3C#N)CC1)C2=O 438616293 DNDXOKNUQLRDOR-UHFFFAOYSA-N 439.516 2.260 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCOC3)c2=O)cc1C 441935155 OVMCMOVPORLGCR-QGZVFWFLSA-N 440.565 2.300 30 10 IEEE CC1(C)CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@]2(CCOC2)O1 443326711 LMHXHEPIAMRCJM-SFHVURJKSA-N 427.379 2.192 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2COCCO2)n1C[C@@H]1CCCO1 461119812 AZLOMDWPHSNHSW-VQTJNVASSA-N 427.505 2.070 30 10 IEEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)c(C)c1 461747196 HIXKWFYULTUQOW-UHFFFAOYSA-N 438.513 2.371 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 467828963 RMKSNBXCGIRGQG-JXFKEZNVSA-N 427.526 2.070 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCCc3ccccc3Br)CC2)c1C#N 472092629 DHMGNZFWZFJTHI-UHFFFAOYSA-N 431.338 2.437 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)cc2)cc1 476796072 LBHSSBJVPUMXDN-NRFANRHFSA-N 448.479 2.185 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 479555615 JAAARNNHQLLVIJ-LBPRGKRZSA-N 447.314 2.398 30 10 IEEE CC(C)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn12 504907252 DVAGXPSMHULZOD-XLIONFOSSA-N 445.483 2.319 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)Nc1ccc(C(C)C)cc1 506907614 HOJCPPXZBINRIB-UHFFFAOYSA-N 426.502 2.457 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)CC1 508787812 ADUIWWXBGNYSJO-NRFANRHFSA-N 428.496 2.388 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 508885163 MYECAWJQTRUXFL-QGZVFWFLSA-N 441.561 2.109 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(F)cc1 514523165 TXTSUOQXVRIZBS-UHFFFAOYSA-N 425.460 2.206 30 10 IEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 515228097 DZOWMKZYFSNWCF-MRXNPFEDSA-N 431.470 2.029 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCO2)CC1 555459669 WAHSHIYWHFQOPI-OAQYLSRUSA-N 444.543 2.426 30 10 IEEE Cc1nc(-c2ccc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)cs1 560846451 KRLDCGRWEYTBNY-UHFFFAOYSA-N 446.536 2.350 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1Cc1ccccc1 562337665 VMGCIASSHIDLNW-UHFFFAOYSA-N 446.557 2.125 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 564228648 UCMCKTNMRXCJIJ-OAQYLSRUSA-N 446.511 2.208 30 10 IEEE C#CCn1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c2ccccc2c1=O 585170936 UIFOIQBNSQEIFQ-SFHVURJKSA-N 428.492 2.316 30 10 IEEE N#Cc1c(CCCNC(=O)CN2C(=O)Cc3ccccc32)nn(-c2ccc(F)cc2)c1N 590423813 ZKHNDGUDZOYHPY-UHFFFAOYSA-N 432.459 2.103 30 10 IEEE C#CCN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 731213431 BIXHVOKNXQYDTE-GOSISDBHSA-N 428.476 2.319 30 10 IEEE CCCn1cc(C=Nn2c(-c3ccc(O)c(C(N)=O)c3)csc2=N[C@@H](C)COC)cn1 734976943 WBPLUBZEVHEAQY-AWEZNQCLSA-N 442.545 2.445 30 10 IEEE C[C@@H](CC(=O)OCc1noc(Cc2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 745498308 VOXWYLPCQMPTNY-AWEZNQCLSA-N 440.481 2.221 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 753531065 DSDLUAKAOCJZTQ-IBGZPJMESA-N 438.355 2.355 30 10 IEEE C[C@H](CC(=O)NCCOCc1ccc(Cl)cc1)/N=C1/NS(=O)(=O)c2ccccc21 754104264 SRNMPKSTEGBWNY-CQSZACIVSA-N 435.933 2.490 30 10 IEEE CC1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)[C@@H]1C#N 769891522 DJXGCOKONVGTRO-RIMDVYMRSA-N 430.574 2.145 30 10 IEEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 787052883 OHFKXOWBSSHTRL-RXVVDRJESA-N 446.463 2.462 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)COC(=O)c1cc(C#N)ccn1 803846503 VXYLSMKYPWOAIX-UHFFFAOYSA-N 445.273 2.278 30 10 IEEE CCOC(=O)c1cnn(C2CCN(C(=O)NCCNc3ncccc3C#N)CC2)c1C 806534802 GXCFTXWCKJRAEZ-UHFFFAOYSA-N 425.493 2.094 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 812182485 LOXJBNGFOMMQOL-QGZVFWFLSA-N 426.521 2.338 30 10 IEEE C#CC[C@@]1(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)CCCN1C(=O)OC(C)(C)C 812382584 LBISDTXFHNJBCY-QFIPXVFZSA-N 428.489 2.314 30 10 IEEE C#C[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(F)cc1 812753502 LDELYPLGOWUUGI-IBGZPJMESA-N 425.485 2.477 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)N[C@@H](CCCC#N)c3ccccc3)cnc21 817320004 VPVBKFTXHBJXFB-AWEZNQCLSA-N 443.305 2.444 30 10 IEEE COc1cc(C=NOCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F 849981322 YOZBQEJNYCAYID-HNNXBMFYSA-N 448.488 2.319 30 10 IEEE N#Cc1ccccc1NC(=S)NCc1ccccc1CS(=O)(=O)N1CCOCC1 915998660 DLZJYPGQCURIBU-UHFFFAOYSA-N 430.555 2.207 30 10 IEEE C=CC[C@@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OCC 1138147630 QHNSDCNLFCFLCM-QGZVFWFLSA-N 432.521 2.376 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1139175470 GEFOWJGJPPSIAO-RTBURBONSA-N 443.500 2.253 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1=O 1139684066 MYBLBYINBZTLKS-QHCPKHFHSA-N 444.532 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 1147441938 TZDFIDMGNGUFSD-UHFFFAOYSA-N 435.546 2.325 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C#N)c(F)cc3C)CC2)cc1 1177036323 IYSUCBSCXCDLON-UHFFFAOYSA-N 430.505 2.259 30 10 IEEE CCN(CCC#N)C(=O)Cn1cnc2c(cnn2-c2cccc(Br)c2)c1=O 1189841940 AWCOYHYMPWIXRQ-UHFFFAOYSA-N 429.278 2.107 30 10 IEEE N#Cc1cccc(CN2CCC(NS(=O)(=O)C[C@@H]3COc4ccccc4O3)CC2)c1 1191951961 HJPDPPAALRLJBZ-FQEVSTJZSA-N 427.526 2.282 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1198555024 VXDMNAVABNOWBJ-CVDCTZTESA-N 433.597 2.154 30 10 IEEE C#CCCCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1286357409 JEQAFWYECBDVDT-CVDCTZTESA-N 439.564 2.239 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286385121 UHJFHJAYLLDUEJ-UYAOXDASSA-N 444.557 2.005 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1286394740 PFTUTTRBRWJFOF-KSZLIROESA-N 448.614 2.349 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NC1CCCCC1 1286402808 HZPXHKIZFUAUFJ-UHFFFAOYSA-N 435.528 2.484 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)s2)CC1 1286473413 SBQBJABXQVNXKZ-QFIPXVFZSA-N 429.590 2.492 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286752585 AERCZYQJZBWVRD-SFHVURJKSA-N 426.546 2.277 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1286762856 OBUIWUGFSGOFLA-KRWDZBQOSA-N 449.577 2.069 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H]1CC 1286788299 UIUVIHOSRKFJFB-PKOBYXMFSA-N 438.580 2.379 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cscc2C)C1 1286800095 FVOVORNBYIQPBN-GDBMZVCRSA-N 425.580 2.088 30 10 IEEE Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N1CCCC1 1291544522 FHYHRMIDMWEPSS-UHFFFAOYSA-N 426.498 2.020 30 10 IEEE COC(=O)C[C@@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1293933192 PSQVDUGBRBSZQU-FMPZLKCCSA-N 437.562 2.280 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1297468201 RMKSCHBOMAFXMJ-UHFFFAOYSA-N 436.520 2.466 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300409316 HJYQVGQSRKEEPJ-IBGZPJMESA-N 443.573 2.015 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1300488377 RHRGYYGVRFTXNJ-UGKGYDQZSA-N 445.589 2.154 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cccc(CS(C)(=O)=O)c1 1300586707 JGNKYWVHHIILTH-UHFFFAOYSA-N 447.564 2.320 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(F)c2F)CC1 1300685114 GMAIFUXOTULGBS-QHCPKHFHSA-N 445.514 2.206 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCCN(C)C)CC1 1300695749 IENQLNPOPHROPX-UHFFFAOYSA-N 447.587 2.028 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COC(C)C)C1 1300891665 MACZLFDJHDMYAW-KNKQGSTJSA-N 447.580 2.012 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCOCC2)C1 1301567324 VFDGUASMXAVIHP-NRFANRHFSA-N 439.560 2.094 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1304378575 DDWGBWSYEATCDF-NJNPRVFISA-N 442.495 2.129 30 10 IEEE C=CC1(CC(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)CN(C(=O)OC(C)(C)C)C1 1305221480 WHFLPKJTBPKXQD-DLBZAZTESA-N 431.537 2.284 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1CC[C@@](C)(C#N)C1 1307950365 VKSLEXQMPCQULI-NRFANRHFSA-N 434.562 2.434 30 10 IEEE Cc1cc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)n1-c1ccccc1 1313099705 GADWRHNZADLXQZ-UGKGYDQZSA-N 426.542 2.216 30 10 IEEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1313313727 KKZMMYKRLPDEIF-XGEHTFHBSA-N 444.344 2.232 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1358933636 ZRRWRSOXHXEXFZ-HXUWFJFHSA-N 433.564 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2conc2COC)CC1 1359044379 DOURGFOAXYEHQH-UHFFFAOYSA-N 426.521 2.084 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1359048611 WSNGUHMCNKCUMP-UHFFFAOYSA-N 449.540 2.027 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1359054088 JJSIELOZJLDUFI-MRXNPFEDSA-N 445.593 2.396 30 10 IEEE C=C(Br)Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359084902 VTSDWMMVBCCFCZ-HNNXBMFYSA-N 439.402 2.318 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNS(=O)(=O)CC)CC1 1359161800 REXQPNYWSPYPAU-UHFFFAOYSA-N 434.522 2.339 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)C1 1359311988 LXUTZVYWKQMSTA-KRWDZBQOSA-N 431.924 2.168 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC(C)CC2)C1 1359313172 HXAOUOOVYWCOJS-NFBKMPQASA-N 433.597 2.443 30 10 IEEE COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)COc1ccc(C#N)c(Br)c1 1436522570 BIQHTKAVNQGYSK-UHFFFAOYSA-N 444.241 2.471 30 10 IEEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(CC#N)CCC(=O)OC)c1 1438601195 JQTIIGQTUNPDLP-UHFFFAOYSA-N 446.481 2.382 30 10 IEEE C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@H]1CN(C)CCN1C 1444410086 LIJDAPVEAIEKSY-DQLDELGASA-N 441.576 2.143 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@@H]2NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 1460449086 FQZUJMBBIGIKGD-UFYCRDLUSA-N 426.590 2.191 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCC1 1462751141 VHFHNSHCJRTXNG-INIZCTEOSA-N 436.553 2.280 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2c(s1)COCC2 1472002035 MQWFMQWISCIEBC-HNNXBMFYSA-N 448.570 2.130 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C1)C2 1479157553 DDMDULFOWKIMCK-NUJGCVRESA-N 427.448 2.177 30 10 IEEE CCN(CC)C(=O)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1501739356 PZKQKKHHIAUYGZ-WOJBJXKFSA-N 438.532 2.389 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1503638731 BTCFPZKFMLOHSM-HXUWFJFHSA-N 441.532 2.276 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C 1503701630 CYUJUCJEYUNJDI-OAHLLOKOSA-N 428.562 2.443 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ncn(C)n1 1507522023 AIFQRFGLGHSDGQ-LBPRGKRZSA-N 430.310 2.351 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507626432 NXLYYWPYVPEOQL-UYAOXDASSA-N 442.585 2.410 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507630427 YQSUOBZELRSESQ-ICSRJNTNSA-N 428.558 2.305 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507965451 RYUKGAVQXJEVRW-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507965963 SULYNLBKQAWDPX-FQEVSTJZSA-N 444.580 2.370 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1507967896 OFDBATBQTXNVQB-NRFANRHFSA-N 433.597 2.313 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1507980053 GYSOREDQJCAQTO-INIZCTEOSA-N 436.557 2.123 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C(C)C 1508091031 LPGAPBBCKVYUFY-INIZCTEOSA-N 436.557 2.123 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C#N)CC2)n1Cc1nnn(C)n1 1510261361 DCLHILSGCJLUHX-CYBMUJFWSA-N 427.900 2.383 30 10 IEEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)C1(F)F 1520809431 DTOUHRKDIGMDJJ-JSVDUPIDSA-N 434.491 2.485 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)C(=O)OCC 1535345092 PISZNOTZKWVKHU-HNNXBMFYSA-N 432.901 2.414 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccnc1OCCOC 1539175133 SAKSMJBCBAVLKK-UHFFFAOYSA-N 445.483 2.132 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)C 1539325336 HJSOIJGGVMBHLX-IBGZPJMESA-N 445.564 2.474 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539436639 XYHZKXILJRTNNS-AZUAARDMSA-N 439.560 2.390 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1539722124 LBXIYJMFJMLQCH-HNNXBMFYSA-N 432.491 2.082 30 10 IEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 1540012259 HFFRVWJRWQUXII-UHFFFAOYSA-N 442.633 2.178 30 10 IEEE CC(C)c1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541347630 IYNUALWBCGKUBC-VZCXRCSSSA-N 428.537 2.323 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1542284430 JMLPETMDJLGPPQ-IEBWSBKVSA-N 438.532 2.117 30 10 IEEE N#C[C@@H](NC(=O)COc1nsnc1N1CCOCC1)c1cccc(C(F)(F)F)c1 1543007483 IFPKMOPBKVFIAJ-CYBMUJFWSA-N 427.408 2.153 30 10 IEEE COc1ccc(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1554884762 GNYBOIDWDNCAGK-AEFFLSMTSA-N 449.515 2.360 30 10 IEEE CC1(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CCN(c2ccc(Cl)cc2C#N)CC1 1558048536 HHFDSRKXNXSHNT-SFHVURJKSA-N 444.963 2.308 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1563414012 ACJPFKFOWLUDBG-LJQANCHMSA-N 425.558 2.352 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)ccc1OC 1568465586 YZGYZAGENAMLFX-UHFFFAOYSA-N 428.470 2.225 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)COc2ccc(S(N)(=O)=O)cc2)cc1 1583417981 BACWEWGFQGVYDQ-UHFFFAOYSA-N 429.498 2.166 30 10 IEEE CCc1ccc([C@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1584071179 GLRRQWIKCZCHMF-FQEVSTJZSA-N 443.573 2.415 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 1584728506 AWDTWPXFGNPHLG-LEWJYISDSA-N 428.577 2.398 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1587667547 KCRQKECAFSABSW-CKJXQJPGSA-N 429.546 2.066 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(CC)S(C)(=O)=O 1587975211 RYGFTQWKEHWGCH-UHFFFAOYSA-N 442.545 2.341 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1C 1588194559 XJAUWHFJGUHZIZ-QUCCMNQESA-N 440.569 2.484 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@@H]1C 1588276488 NNXVZTZEGXITQF-HNNXBMFYSA-N 435.370 2.226 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1593886032 PWEBLVRUYMZTRH-IFXJQAMLSA-N 440.928 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cl)=C(Cl)C1 1595755322 VYCNKROPGDGJDL-UHFFFAOYSA-N 448.376 2.014 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595838135 LTWWWOMWGFTFMN-UHFFFAOYSA-N 449.650 2.423 30 10 IEEE CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 1595920458 YRZRNIJFNXSKCW-UHFFFAOYSA-N 434.905 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1597039653 UNQAAYMQEMSJRX-QYZOEREBSA-N 435.565 2.286 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)[C@@H]3COCC34OCCO4)ccc2c1=O 1611434806 ZUHOXNKEGZNQAL-KRWDZBQOSA-N 445.541 2.017 30 10 IEEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1617697782 UHRFGZBISILTSH-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE CO[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1618962822 UDELTDAPUFGJMW-HYVNUMGLSA-N 442.486 2.316 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(OC)CCOC2)cc1 1619234107 HOZLVVBTRIDPSR-FGZHOGPDSA-N 429.496 2.319 30 10 IEEE COc1cccc(C(=O)NCCn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)CC#N)c1 1619330403 BKFQNYQMHZTTTH-KRWDZBQOSA-N 433.516 2.441 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCSC2)CCO1 1620354282 BAOLSOIHBDVKFX-KXBFYZLASA-N 437.472 2.143 30 10 IEEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)n1 1620624011 MKCTUFFMFIDVGF-HXUWFJFHSA-N 431.500 2.471 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](O)COc3ccc(F)cc3)C2)C1 1622497984 VSAOZQGRLZADRJ-FNKIUMDLSA-N 447.507 2.468 30 10 IEEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 1622759825 AMLUNSDABYTPFB-MOPGFXCFSA-N 433.379 2.476 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)C(=O)/C=C\c3ccc(F)cc3)C2=O)c(OC)c1 1623605753 GOQHFKQNXUSNSJ-AJWDXOCTSA-N 426.444 2.343 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 1624794017 USLMTOOUOUSWAA-UHFFFAOYSA-N 425.485 2.457 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1 1624977085 YQKSLYLVONOUEU-UHFFFAOYSA-N 428.436 2.407 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C\CN2CCOCC2)CC1 1627454927 NPPQJOCZONHAAF-AHUOSZMWSA-N 433.350 2.046 30 10 IEEE CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1628942351 WQNOZESLFXVSOO-UHFFFAOYSA-N 431.489 2.232 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1632484353 HTQUCYBALZILQG-SFHVURJKSA-N 435.546 2.321 30 10 IEEE Cn1cc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C2(CO)CCC2)cn1 1636261885 HPZPBTWVHUFLET-IBGZPJMESA-N 430.530 2.131 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)cc1 1636903547 NANKLQJZJCAVIB-VGSWGCGISA-N 447.557 2.118 30 10 IEEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O 1642239077 BFGQUNVEBXNPIA-LJQANCHMSA-N 426.517 2.151 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 1645274602 RPJCTYWAVIHGDF-QGZVFWFLSA-N 447.582 2.166 30 10 IEEE CCOC(=O)C1=C(CN2CCC[C@@](C#N)(c3ccccn3)C2)NC(=O)N[C@H]1c1ccco1 1655280760 NJFVIDUHLQIUFW-REWPJTCUSA-N 435.484 2.403 30 10 IEEE Cc1csc([C@H](C#N)C(=O)CN2C(=O)c3cccc(Br)c3S2(=O)=O)n1 1656933889 NKOCGRRTLQMTLQ-SNVBAGLBSA-N 440.300 2.235 30 10 IEEE Cc1cc2cc(S(=O)(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2[nH]c1=O 1662734223 ANRRWTPVOVVBAQ-HXUWFJFHSA-N 436.493 2.182 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1669282752 BYYGTUBIPDXLJR-HXUWFJFHSA-N 435.590 2.446 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1672803774 IITYWNBUFRLXBQ-MSOLQXFVSA-N 438.569 2.267 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1674054975 DDHJIVKHJPEDKW-GOSISDBHSA-N 428.455 2.104 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1681197277 DJMLUQXKGGDVCU-SJORKVTESA-N 437.338 2.058 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 1682100663 DOQQVBGZFQZQJH-IBGZPJMESA-N 443.529 2.257 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)NCC2CCN(C3CCOCC3)CC2)CC1 1683765809 NPYIDZJOODMWFH-UHFFFAOYSA-N 429.540 2.420 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1687572205 KVGIHHKMWZNLHK-IXDOHACOSA-N 427.567 2.303 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1689961439 XPKYBAIDJCJFIW-UHFFFAOYSA-N 430.516 2.225 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1conc1COC 1690072730 RJGIEEFAOHMECA-UHFFFAOYSA-N 447.499 2.317 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCC1 1690073655 BNPFGMKOFCSNRZ-UHFFFAOYSA-N 433.516 2.456 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1 1690085947 LBGBCRICQUOWPY-IBGZPJMESA-N 428.556 2.482 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccoc1 1690088772 WQDJEXTUKONJGU-OAHLLOKOSA-N 431.493 2.309 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690155531 KQLXCKNUUKUJLL-QWHCGFSZSA-N 439.529 2.033 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186454 QMUOKYLDVBFXOJ-AVRDEDQJSA-N 449.621 2.180 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1690253390 PWRLOHWYUOBSLZ-KSZLIROESA-N 444.580 2.323 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690451950 TZSWXBUZOQTPHE-OAQYLSRUSA-N 425.493 2.313 30 10 IEEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(C(N)=O)CCOCC1 1691896087 FQXAQVWBNNAFKK-LJQANCHMSA-N 438.532 2.133 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1)N1CCOCC1 1692694519 FIKBBBVHHPMNFE-SFHVURJKSA-N 432.532 2.006 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1693954723 BAIFBZKRYGWAIQ-DQLDELGASA-N 440.548 2.219 30 10 IEEE CCOCCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1696399793 XNZGNSKYFLDLLF-SFHVURJKSA-N 449.563 2.477 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 1698492083 ZKZOXGSEZDEZHP-INIZCTEOSA-N 434.953 2.407 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1Cc1ccc(C)n(C)c1=O 1705587151 JHDFCLMLUXKPQX-UHFFFAOYSA-N 445.523 2.384 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1705694545 BVVCNCNAWUSGLG-RTBURBONSA-N 429.546 2.279 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1705844128 WNFXAYHUQQWRLR-IERDGZPVSA-N 437.541 2.014 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C(C)(C)C1 1705907158 BVOSGJZMUDBPFP-HNNXBMFYSA-N 430.578 2.444 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)C1 1705924473 DCCGMBKJMBDXMT-GPMSIDNRSA-N 426.608 2.247 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705940015 SLCOOCUKDXEEFY-HZPDHXFCSA-N 441.561 2.092 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1706825366 FUHCNJVKHZHEOE-DOTOQJQBSA-N 427.509 2.230 30 10 IEEE CCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1709690374 PWIABHYEFJZVFG-BWVDKLOVSA-N 438.488 2.163 30 10 IEEE CN(C)C(=O)Cn1c(N(CCC#N)CC2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1710988518 AUDIDYADXXUIGP-CALCHBBNSA-N 445.568 2.267 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C 1711085449 HXTIREYJZYATFN-PMACEKPBSA-N 442.589 2.028 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1712562463 PYMJIZOVLZFFHE-CQSZACIVSA-N 442.442 2.199 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1712625640 ZKWAOZBGGQCNTJ-LXMAKODISA-N 446.552 2.011 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722322840 WGNUTRMWKUYKQS-MRXNPFEDSA-N 427.509 2.012 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccccc2)CC1 1722432129 TTZDRJKHNGXPJE-UHFFFAOYSA-N 445.527 2.150 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1722434989 CQBPDSLRCAQPPY-UHFFFAOYSA-N 439.564 2.352 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1722438355 WOAWRDMKPMFLGH-RTBURBONSA-N 446.596 2.183 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1722444707 MWBQVGYKGCSBLN-GOSISDBHSA-N 444.580 2.199 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2-c2cnn(C)c2)CC1 1722446767 AYFHTAXKNDZFIC-UHFFFAOYSA-N 431.544 2.255 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722464279 ZXSYTIGZCDBASH-UWJYYQICSA-N 436.578 2.075 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](OCCOC)C1 1722508709 KGWMGCBMGDETLC-UZKOGDIHSA-N 427.549 2.487 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722534806 WUROFHANBXEUNF-UHFFFAOYSA-N 441.580 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCSC1 1722731742 QMXWVRRGWHSCMW-KRWDZBQOSA-N 447.586 2.271 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2F)CC1 1722858102 MUPXNMFPXVAINN-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1727212847 COSJFUURZQLIKM-IGGDJGDASA-N 443.552 2.102 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1728408077 GACSCWHPMXGPMG-LJQANCHMSA-N 434.552 2.062 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1730481493 PZZXHLVVFZKLOE-SIKLNZKXSA-N 439.495 2.287 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc[nH]2)nnc1N1CC=C(C(F)(F)F)CC1 1731218695 LWTZTYQTCTVEHW-FBMGVBCBSA-N 447.421 2.498 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(S(C)(=O)=O)cc1 1740558380 SKAPWDOYEZOHFN-MRXNPFEDSA-N 426.546 2.049 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1740591347 OMFYCMAPRCBFEE-HXUWFJFHSA-N 442.585 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1CCN(C(C)=O)CC1 1740686432 IWHXORGZSBWAHE-UHFFFAOYSA-N 427.524 2.353 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1740696507 VZNOAXWCZORMCR-MOPGFXCFSA-N 425.533 2.013 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740884648 HYWQCWQGDUBNLP-UHFFFAOYSA-N 447.543 2.351 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1740902771 YRNZIOHKILOYII-UHFFFAOYSA-N 432.576 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cs2)CC1 1740958697 FYAZAHXQRUFYGR-UHFFFAOYSA-N 438.561 2.042 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2C#N)CC1 1740962580 HTHYIVVPYQLAEK-UHFFFAOYSA-N 447.568 2.431 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1740964937 XOVUCQKILOFOFW-LJQANCHMSA-N 426.565 2.218 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1742298469 DCPOPBUNWHLOBX-MRXNPFEDSA-N 447.586 2.185 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCS1 1744989665 ORGIVVHRDZEAGT-GOSISDBHSA-N 449.602 2.210 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1747324940 TXDZUCQCQWLZBL-IBGZPJMESA-N 438.532 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CS(C)(=O)=O)c1 1748684598 MQHYNNZALIDWFC-QGZVFWFLSA-N 440.573 2.191 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1748751245 UUWNRNIQNGPVAT-HXUWFJFHSA-N 430.597 2.314 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC(C)C)NC(=O)OCC 1748765567 LQKZDUSYBLMBRS-MRXNPFEDSA-N 427.509 2.156 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748812532 VSAKDWDRUAQIPH-GDBMZVCRSA-N 444.586 2.469 30 10 IEEE COc1ccc(COCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 1748838576 UJTCFRPCHLXUOA-SJLPKXTDSA-N 447.561 2.144 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccccc2C)CCOCC1 1748843381 CNOSUXLKVFNOOX-NRFANRHFSA-N 431.540 2.359 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1749053141 BPTUBEHTYWDPPA-FRIZHTMISA-N 436.607 2.449 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749409242 SEUTVJSMXPSMPG-UHFFFAOYSA-N 428.512 2.484 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC1 1749827674 HWUQFCTWRPUECT-UHFFFAOYSA-N 435.532 2.048 30 10 IEEE COCCOCc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)cc1 1750081207 SLSXDOXGWBNYHR-FQEVSTJZSA-N 436.516 2.224 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CCOCC1 1750759681 FKUFMCNQLIYDCN-HXUWFJFHSA-N 425.533 2.468 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(CC)CC)nc1 1760168308 WZVVEGPQMIGEEP-UHFFFAOYSA-N 442.531 2.280 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)CCC 1760175225 XFZNEIXUDQOHNB-SFHVURJKSA-N 434.585 2.388 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760186911 HAOZEXBIXBCXSL-UFYCRDLUSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nnn(C)n1 1760198098 XKFNVUXGZXYDSI-UHFFFAOYSA-N 445.712 2.006 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1760488968 LQZRQWSPLOLNSM-INIZCTEOSA-N 447.561 2.276 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1760505189 NQGFKKDCKIMBRZ-UTKZUKDTSA-N 440.610 2.150 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCOC2)C1 1760793580 HKNUNOZTWVCFRI-KSZLIROESA-N 444.536 2.124 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccn(Cc2ccccc2)n1 1761364654 RWBITAUREUEFSM-SFHVURJKSA-N 432.532 2.432 30 10 IEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CCCO1 1761569167 FMWXSSDZUZUZOX-OAQYLSRUSA-N 429.546 2.399 30 10 IEEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1763342350 BPNCWADOPFLHAZ-UHFFFAOYSA-N 446.577 2.247 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1765437020 DEUMIZVUVDZCRH-NFBKMPQASA-N 435.532 2.470 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1768139766 IVXOKSVVCAWZCV-QFIPXVFZSA-N 437.592 2.458 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1768802577 PYQVHWHXZRMMOP-PZJWPPBQSA-N 441.532 2.397 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)C[C@H](C)O1 1770960092 DGHNTEKSHMBEFC-QFBILLFUSA-N 429.521 2.394 30 10 IEEE COc1ccccc1-n1nnc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1C 1848962231 RIVBSHUHFXSNHR-UHFFFAOYSA-N 436.516 2.199 30 10 IEEE C=CCN(C(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1)[C@H]1CCN(C)C1=O 1849035716 UGAPASHIEBPPMY-QFIPXVFZSA-N 438.572 2.246 30 10 IEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N(CCC#N)Cc1cccnc1 1851512601 XFNXNRPVWMFQNP-IBGZPJMESA-N 429.546 2.130 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1851585489 JANYRNXJZIQKLH-OAQYLSRUSA-N 447.539 2.234 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)C[C@@]34CCOC4)cnc2c1C#N 1851780323 GBHMIHSEKRYZRV-XMMPIXPASA-N 430.512 2.335 30 10 IEEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C2)CC1 1855041890 PGBLIVHOZFZTPO-GOSISDBHSA-N 434.558 2.132 30 10 IEEE CC1(C)COCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cccc(C#N)c1 1856323210 LAAVSSXLODBNRQ-UHFFFAOYSA-N 425.466 2.045 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CC3CCC(F)(F)CC3)C(=O)O2)CC1 1856671787 KPVAAYLVWMBHMF-OAHLLOKOSA-N 433.477 2.115 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2)c1 1860665570 OIIXERQOPHNFJH-LJQANCHMSA-N 448.483 2.062 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866577111 FGTNPGVRKBAUAJ-PXNSSMCTSA-N 443.500 2.188 30 10 IEEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 1870144239 UJFULLVWTLDPOJ-UHFFFAOYSA-N 443.467 2.220 30 10 IEEE CCCCCCCCCCN1C[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC)CC1=O 1872981466 AWLDPMJVVFDPOM-MOPGFXCFSA-N 437.581 2.256 30 10 IEEE COc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)c1O 1874344619 WWPMCIQTASLLHX-WSDLNYQXSA-N 427.486 2.073 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc(O)c1 1874474599 KXIMFQSCKGAYHH-OEAKJJBVSA-N 425.514 2.463 30 10 IEEE COCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Br)cc(OC)c1O 1874501918 GXHRCASZNLVRGR-UBKPWBPPSA-N 445.295 2.049 30 10 IEEE COc1ccc(SCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890180149 XEBOVDQQARGQDY-UHFFFAOYSA-N 431.602 2.046 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)CC1 1890581721 SWASRCWRRWHXLY-UHFFFAOYSA-N 425.907 2.490 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 1993278173 PQNBNRSRGLVSED-CVEARBPZSA-N 427.542 2.192 30 10 IEEE CC[C@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243390336 SWYUSPIPKJPOPJ-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE Cc1nc(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243390543 XKYXULKECSOWLO-LLVKDONJSA-N 425.360 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255631893 GAJHUEKNVMYPFI-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE Cn1nc(C(=O)NC2CC(COCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255837667 SSASURBTZFAJLV-UHFFFAOYSA-N 425.338 2.445 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(F)(F)F 2255860433 CMAMXTRJPIUHTB-CYBMUJFWSA-N 447.263 2.499 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256626943 PSJMPFCHMBWGNX-CQSZACIVSA-N 435.330 2.249 30 10 IEEE Cc1nc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256675536 HLDWHTASGTXITR-OKILXGFUSA-N 432.330 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CC(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(=O)O)C1 2256889844 SHTLLVVEESFYBP-UHFFFAOYSA-N 437.277 2.006 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957999 SHWNBTJDIKHGCJ-SJORKVTESA-N 436.358 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094357 FNDYQKRTEJVXIL-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cn1nc(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267127063 GEBRUZZAHUAOML-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CCC2 2267144467 WYVZWYCUGBHIRW-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2267163851 ZUGQDOGZESBRPP-JOCHJYFZSA-N 446.357 2.199 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2267187682 BKLBCHZEOUDTNX-VQTJNVASSA-N 438.333 2.304 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267197151 JHUWOEXCXPHORA-JKSUJKDBSA-N 446.357 2.036 30 10 IEEE COC1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267272695 BYLMAWHHGVWMFB-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE COCC1(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267592333 CUBZTUUNXCRERZ-UHFFFAOYSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268690094 JSRIWCKTSCJNOV-CVEARBPZSA-N 447.341 2.249 30 10 IEEE Cn1cc(I)c([C@H](O)C(=O)C#Cc2ccc(Br)cc2)n1 2296268396 DFKMWSYPGXRCOU-CQSZACIVSA-N 445.054 2.441 30 10 IEEE COC[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C=CCN1C(=O)OC(C)(C)C 2314790560 DBWZVZUFLPRNDM-QFIPXVFZSA-N 434.342 2.320 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2315295648 OUFQUMWBOPYUIK-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE COc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)cc1OC 2329322846 WYSJMZHKCMEYHQ-UHFFFAOYSA-N 441.513 2.472 30 10 IEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337290280 SACJSRJIRFYIJB-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)n1C 2337327605 HMJBHFGAIRMDNV-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343635367 GFALMTRZMPSVEL-DLBZAZTESA-N 449.332 2.410 30 10 IEEE CC(C)(C#C[C@H](NN)c1ccc(I)c(Cl)c1)S(C)(=O)=O 2365195948 GZWBMABQFNQFFB-LBPRGKRZSA-N 426.707 2.276 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 10792544 OXRWHRBKTIAREU-UHFFFAOYSA-N 432.542 2.393 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2C1=O 14885978 KJHKDXZCVVTGJF-HXUWFJFHSA-N 431.448 2.464 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)NCC#CCOc3ccccc3C(N)=O)[nH]n2)c1 90743694 RWWIARGDXDQEJP-UHFFFAOYSA-N 434.452 2.005 30 10 IEEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 96351104 OOSIUCUPTPSRBV-KRWDZBQOSA-N 436.899 2.390 30 10 IEEE COc1cccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1OC 103228871 YLVGBXTXPQJODZ-HQMFNGAOSA-N 425.485 2.472 30 10 IEEE C[C@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)n1cnc(C#N)n1 409777906 SCSNULPUTPBZOL-CWTRNNRKSA-N 445.451 2.298 30 10 IEEE N#CCCn1ncc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1-c1ccccc1 430074437 HMEXKJOAXMTSCM-UHFFFAOYSA-N 427.530 2.150 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 439248798 QWKOKZGMJCYNLD-UHFFFAOYSA-N 425.451 2.354 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]([C@H]4CCOC4)C3)CC2)cc1 439277265 QJSDDWLAFGOFJL-PMACEKPBSA-N 431.558 2.234 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C 460941160 WGKFZULRDVNCNM-YLJYHZDGSA-N 441.532 2.444 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)C2=O)cc1 485984583 BHYRQOANNMRWFM-JXFKEZNVSA-N 438.434 2.107 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2)c1 508916410 ATXIPAKOLXMZTP-LJQANCHMSA-N 446.490 2.197 30 10 IEEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1C#N 567622165 SZGAOKRCFXPWHR-HZPDHXFCSA-N 443.525 2.295 30 10 IEEE COc1ccccc1CC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 576317508 HHIDYBQYKPEBKK-UHFFFAOYSA-N 427.526 2.326 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 679533497 QMZQGOMHOOJYNA-HZPDHXFCSA-N 447.532 2.364 30 10 IEEE CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730138474 MBNCRVSXSYAOMQ-SFHVURJKSA-N 433.578 2.445 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCN1C1CC1 732706906 RKWYXNRLMLREJK-IRXDYDNUSA-N 432.908 2.035 30 10 IEEE Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)cc1 737304724 AXOXVIAXDYKVOL-MRCUWXFGSA-N 434.452 2.368 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCOC[C@@H]2CCOC2)C1=O 740617034 RDAHEBHCYYRMEG-YJBOKZPZSA-N 430.530 2.069 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=C3CCC[C@H]3S(C)(=O)=O)nc2)C1 741455170 JKGDVQLVPXOUSB-JKIFEVAISA-N 428.580 2.113 30 10 IEEE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c1 746680866 SDMPYUKKJBQUQB-VURMDHGXSA-N 446.481 2.249 30 10 IEEE CCC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)C1 761852091 GMEBTTZLYCSJCO-AEFFLSMTSA-N 439.541 2.169 30 10 IEEE C#CCN(C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 774240584 LJFAORLQJKCZIO-FQEVSTJZSA-N 443.500 2.410 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCCc2c(C)nn(C)c2C)C1=O 774583090 QCFMRWABCBRTIP-IPQBESIJSA-N 442.589 2.043 30 10 IEEE Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NS(=O)(=O)CC(C)(C)C#N 780476860 VZLOELTYJCYQPJ-UHFFFAOYSA-N 443.451 2.441 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC[C@@H](OC)C(F)(F)F)C1=O 786690495 VIWPZBNFXSAMDT-IQVWLQHGSA-N 432.468 2.028 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 788694166 MAGJDYYWGORJJV-UHFFFAOYSA-N 426.882 2.224 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2nc(Cl)cs2)CC1 789222748 DVKIFVJZAGIIKP-UHFFFAOYSA-N 447.860 2.422 30 10 IEEE CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)c(S(N)(=O)=O)c1 797398243 PXXNBAINZVBLTF-UHFFFAOYSA-N 446.348 2.107 30 10 IEEE COc1cc(OC)cc(C2(F)CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1 802142744 DPEIHEHTHBWWEH-FMQUCBEESA-N 446.479 2.200 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 802504541 JHEQPCKXZACBJA-QFIPXVFZSA-N 427.505 2.149 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 858078994 WZPVCZQMPSTEGQ-BEFAXECRSA-N 440.525 2.177 30 10 IEEE Cc1cc(C)c(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c(C)c1 916777644 ODGJUNYINQIVRN-IBGZPJMESA-N 425.510 2.483 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)c1OC 1084307169 RADASBCLFVAFLY-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cn1 1084558743 UTTVGPAQXMMVKL-UHFFFAOYSA-N 425.522 2.168 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)COc2cccc(Br)c2C#N)n1 1128671656 DPJHXWIVTWUFBJ-UHFFFAOYSA-N 431.290 2.204 30 10 IEEE COC(=O)[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H]1CCC[C@H](OC)C1 1130630683 CNLDAPGHVOTEKB-RIFZZMRRSA-N 427.505 2.013 30 10 IEEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 1134490677 WKWHOOCODCMIID-LDBYXDLTSA-N 435.546 2.307 30 10 IEEE C#Cc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cc1 1141042929 JEESVTKMQCQYHN-QFIPXVFZSA-N 442.537 2.449 30 10 IEEE CN(CCN(C)C(=O)C(=O)/C=C/c1ccc(F)cc1)CCN1C(=O)c2ccccc2C1=O 1141657399 OLDGPSPDCGFCOD-FMIVXFBMSA-N 437.471 2.094 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Cc2ncon2)CC1 1156114888 WZTTVMHKGIQCPT-UHFFFAOYSA-N 445.545 2.150 30 10 IEEE O=C(NCCOCC(F)(F)C(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1156782513 KCAGATZIUYHTLE-UHFFFAOYSA-N 431.255 2.479 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1cc[nH]n1 1161086415 POVVPSPRCXNEQI-UHFFFAOYSA-N 439.394 2.210 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](NC4CCOCC4)C3)ccc2c1=O 1161769380 MBRROGJASFGVNR-KRWDZBQOSA-N 428.558 2.244 30 10 IEEE CN(CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)c1ccc(Cl)cc1 1178460810 SJMVXWWIMGFVKF-KRWDZBQOSA-N 447.948 2.330 30 10 IEEE COc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1S(=O)(=O)NC(C)(C)C 1179869851 RRKYFKXUORQLCB-UHFFFAOYSA-N 448.570 2.486 30 10 IEEE COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1O 1180059838 KFOOQTQPXQRSOY-CZUORRHYSA-N 441.875 2.432 30 10 IEEE C=CCn1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)nn1 1252077117 RNASADZWGVCUTB-ZIAGYGMSSA-N 432.447 2.451 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1286294071 BCONWXOYUWIFQN-XLIONFOSSA-N 425.533 2.359 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286386617 DVZQGRTZGBYPBQ-QZTJIDSGSA-N 445.564 2.053 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286386822 IBMHZJAWEZROPL-HKUYNNGSSA-N 444.605 2.020 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286410668 VMZXNYUJONLAAP-ZCNNSNEGSA-N 445.633 2.010 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)c(O)c1 1286411174 NXCLECXSGDLUJL-UHFFFAOYSA-N 426.480 2.352 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1286433726 ZNHBVYIIGTYQFN-UHFFFAOYSA-N 429.908 2.447 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2CC(C)(C)O)n1 1286471134 JDGIYKZXBDFAHA-UHFFFAOYSA-N 426.496 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1286494884 VABFEJIIEVAVGJ-QUCCMNQESA-N 436.560 2.045 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1286522559 LKYDVSIPCVQWFT-FXAWDEMLSA-N 435.594 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286817309 LTUQNQFCGJVVDW-MRXNPFEDSA-N 441.598 2.496 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1290175955 AVIRTCUXAXKECU-RTWAWAEBSA-N 425.533 2.492 30 10 IEEE C[C@@H](COCC(F)(F)F)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1292281559 MROHWOXLEQNFJU-ZDUSSCGKSA-N 435.468 2.369 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 1299136078 OSOOBVRKUIKEGP-SFHVURJKSA-N 437.562 2.296 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1300310060 KLAOUVCMLPYUID-GIMINZRKSA-N 433.553 2.205 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300357782 XLURJSKUWDRPEX-KRWDZBQOSA-N 426.521 2.114 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300361565 HMGYCXBSLHXRLJ-NRFANRHFSA-N 442.608 2.110 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300391991 XGKCXOSFTLEALP-NRFANRHFSA-N 436.560 2.110 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1300403400 KSDIWJUUOXWKGW-LJQANCHMSA-N 441.557 2.085 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300479974 WKZHCNJGLCITRW-CEXWTWQISA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300492035 LBACSKZGCAJFAV-WMHRWZGDSA-N 434.525 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(OC)cc1 1300532430 VKYUCXOYASNPSG-UHFFFAOYSA-N 433.468 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1CCOCC1 1300569458 LUINRDCAYJKMQB-UHFFFAOYSA-N 449.555 2.290 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)COC2 1300675673 FZKQCDXQHTVDRP-FPOVZHCZSA-N 426.517 2.167 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1300685081 FVVKEIMFETXZRQ-MZKRTTBSSA-N 433.597 2.135 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)coc2C)CC1 1300686301 ZXTYUFIDBRWHRX-QHCPKHFHSA-N 427.549 2.332 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCC[C@@H](C)C2)CC1 1300690845 KHEVMACHXNZBDE-GOSISDBHSA-N 427.984 2.481 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1 1300779133 OZICQKYOFASJEJ-XMMPIXPASA-N 443.511 2.259 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1300855071 CGMGGMYOJKIGPJ-RTBURBONSA-N 440.548 2.219 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(CO)CC1 1301531473 NECSBIWESPFKLC-UHFFFAOYSA-N 425.533 2.222 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)CCc3cccc(C#N)c3)CC2)cc1 1301975117 MKKLWGGFGQZMRQ-KHPPLWFESA-N 432.524 2.473 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CCCN2CCOCC2)cc1 1302993576 FAOAJIVEDYASHR-UHFFFAOYSA-N 432.475 2.296 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2ccc(Br)nc2O)c(=O)c1C#N 1306834621 XNJWPLFVNSUHHU-UHFFFAOYSA-N 442.067 2.346 30 10 IEEE CN(C)C(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1314641819 CKALCIBOOJVJCN-KRWDZBQOSA-N 445.568 2.221 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1358930331 STLVKPXVOILECA-MSOLQXFVSA-N 433.553 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1359026232 PBOLSHXLJHZGNA-GHTZIAJQSA-N 431.562 2.058 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC(=O)N(C)C)CC1 1359031098 PXJNTMUFAOCEEB-UHFFFAOYSA-N 446.502 2.170 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@@H]1C 1359064470 TWHFCZLHASIBRF-LXGFNABISA-N 437.610 2.476 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1359141349 DFIKVHFBGXIOAL-INIZCTEOSA-N 440.331 2.466 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N(C)C)CC1 1359173725 NAICZBTWRUFXIM-NVXWUHKLSA-N 436.582 2.187 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359298289 UJPUWJANSGCZAA-YLJYHZDGSA-N 435.532 2.437 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1359305188 VRYFZTYTIKNTSB-UHFFFAOYSA-N 448.955 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCc2ccccc21 1359335028 XXANSEGZTLUXNV-LJQANCHMSA-N 443.573 2.125 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)ccc1F 1437825115 MRJXJVZJFVFWLM-GOSISDBHSA-N 447.532 2.303 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1450329902 UQVHSSVJVUNGPL-HNNXBMFYSA-N 434.436 2.390 30 10 IEEE COC(=O)c1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccn1 1454216756 AUPJELOUZPTOBR-BXFSZVDSSA-N 428.489 2.271 30 10 IEEE C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)(c2ccccc2)CC1 1455477299 SOJKPTUYADWFPQ-UHFFFAOYSA-N 429.524 2.348 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cnn(C)c2I)C1 1469533224 AINGUDVHUIPPHG-CQSZACIVSA-N 435.269 2.247 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)cc1 1470879592 WKIOPYVLKSNXII-QFIPXVFZSA-N 438.553 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)CC1 1471142874 DCPWSTSPQVNIRT-RTWAWAEBSA-N 439.560 2.362 30 10 IEEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 1471938205 FUZDCCZZIBKKFR-UHFFFAOYSA-N 441.509 2.044 30 10 IEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)C2(NC(=O)OCc3ccccc3)CC2)C1=O 1472985007 VXBBLNGYBMRYPQ-HSZRJFAPSA-N 446.463 2.353 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccc(Br)cc1 1478895521 CXHDAOPGDBVUNC-CZUORRHYSA-N 428.352 2.094 30 10 IEEE CN(Cc1ccccc1S(N)(=O)=O)C(=O)NC1CCN(c2ccccc2C#N)CC1 1479070706 FKUVJSWZCSZQND-UHFFFAOYSA-N 427.530 2.016 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCN/C(O)=C1\N=CC=CC1=O 1492575767 YLONSOGICQHSLV-SIUCFOQUSA-N 433.516 2.442 30 10 IEEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1503591208 UUTMZISXJBIFBT-UHFFFAOYSA-N 443.515 2.440 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)o1 1505317196 OYVYEDSMSMLBRE-CYBMUJFWSA-N 445.405 2.358 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)CC1 1507593646 SEVVBYORIUMBDX-UHFFFAOYSA-N 440.495 2.367 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507628871 ISCTTYTZXPVDEB-IAGOWNOFSA-N 433.603 2.196 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507634816 PWKVKSJMWZXQTC-HNNXBMFYSA-N 442.463 2.414 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507692186 OXCHEFLNFVZXGL-UHFFFAOYSA-N 444.587 2.309 30 10 IEEE C#CCN(CC)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507698982 XCCBNSRQXBKMPJ-SQNIBIBYSA-N 433.553 2.299 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507724634 IUWZRMABRBCPAP-UHFFFAOYSA-N 434.548 2.054 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507768107 LNYSOBFONGSVBY-DWKCODDLSA-N 428.581 2.109 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)CC1 1507805477 JPHMZQCKNUFDLH-QUCCMNQESA-N 443.552 2.009 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCOCC1 1507971495 NAWUENIVVVQQEF-KRWDZBQOSA-N 446.983 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1508146949 FHDPLNZTUJKAAP-MOPGFXCFSA-N 432.546 2.308 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC(=O)N1 1509297570 LMMRSVQBMGIKGL-OAHLLOKOSA-N 427.509 2.051 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1510105014 DIJGMFGCMPTCMD-NVXWUHKLSA-N 448.930 2.435 30 10 IEEE CC1(C)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1510328840 NPGANLRKCGFMMJ-MRCUWXFGSA-N 435.532 2.417 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1516420664 SQFZRPVZJACROP-WMZHIEFXSA-N 438.532 2.212 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1518201709 AWWAVDOQYHTDJJ-FCHUYYIVSA-N 429.496 2.319 30 10 IEEE CNC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)Cc1ccc(F)cc1C 1526604475 FQRGYXYXCVJLQU-OALUTQOASA-N 436.487 2.080 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539117850 WWJYOYSBDIVFNX-GOSISDBHSA-N 440.935 2.258 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1539216146 NQVZHGCWTPKLCN-KRWDZBQOSA-N 431.587 2.194 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(F)F 1539246156 PIFKTNHFMKIWIQ-UHFFFAOYSA-N 435.500 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC[C@H](CO)O1 1539312528 SMXMNEQNHNQVRS-FCHUYYIVSA-N 430.512 2.134 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1539371565 WGLGIIGTUOAVBR-APWZRJJASA-N 430.530 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)c1ccco1 1539421751 XKODQJYUIIAQCS-QHCPKHFHSA-N 434.500 2.103 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2)CC1 1539475368 DAYSUEYVZNQFMR-VWLOTQADSA-N 444.539 2.214 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539617453 WMOVGVJVAVGXOL-ZCNNSNEGSA-N 446.596 2.347 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540875498 NVFRTTGIINUMMQ-OAHLLOKOSA-N 443.401 2.066 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1540916933 KDWJCQNXDPRWPI-MRXNPFEDSA-N 428.624 2.493 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540918140 KOZQCAUIEBTDFS-AZUAARDMSA-N 428.606 2.340 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1543449482 GTZBPTJURIBCCC-CVDCTZTESA-N 437.500 2.298 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCC(F)(F)C(F)F 1546529017 KZGSUODQFIZWMD-UHFFFAOYSA-N 441.433 2.351 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1546980189 OGHNVKOSWFRNIM-IEBWSBKVSA-N 427.505 2.279 30 10 IEEE CCCN1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1 1547177919 AYATXIKKCNTBJG-IERDGZPVSA-N 445.568 2.443 30 10 IEEE Cn1cccc1-c1nnc(N2CCSC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1554350395 LFHQKUXQTMQFRE-HTXNQAPBSA-N 441.561 2.142 30 10 IEEE COc1cc(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1557855944 BJYZBDFWPIOQRY-UHFFFAOYSA-N 430.530 2.048 30 10 IEEE N#C[C@H]1CN(C(=O)Cc2cc(Br)cc(I)c2)CCO1 1584956041 HICKBAJQDXWNIU-LBPRGKRZSA-N 435.059 2.347 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1587765557 HZGAJMOIPABKEM-SJLPKXTDSA-N 435.550 2.205 30 10 IEEE C#CCN(c1nnc(C)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1588034422 FTPMSZZQWHKXKV-GFCCVEGCSA-N 429.365 2.086 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1c1cnn(C)c1 1588166678 NBPIHZTWUUAXQL-LJQANCHMSA-N 447.518 2.472 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCSCC2)cc1 1588646025 FZIQLRGYGZHDLX-FQEVSTJZSA-N 441.601 2.470 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2=CCCOC2)n1 1588722580 DFXSZNCOQUODGA-UHFFFAOYSA-N 433.516 2.170 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1588800696 MVVANDAPRZPKSU-UHFFFAOYSA-N 445.449 2.381 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595476297 JQDIMGPAZBPYEQ-HLIPFELVSA-N 443.548 2.326 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1595639941 OWCZZWUXBUBQNM-UHFFFAOYSA-N 426.565 2.100 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCN(C(=O)COC)CC1 1595665034 NJQUNJSVYXOXJR-UHFFFAOYSA-N 425.533 2.139 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1596832999 ZPPNLPVIKQVRRZ-SJLPKXTDSA-N 433.507 2.216 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1596865510 AEQLUHBUTXPCRU-XFQAVAEZSA-N 433.578 2.482 30 10 IEEE CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1608078096 FVFQGTOEWYMVGZ-PMACEKPBSA-N 448.637 2.431 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1619912193 UZBJSEQSRFYEJG-HOCLYGCPSA-N 443.577 2.225 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCOCC2CCOCC2)CCO1 1620357253 UDXPBPNGLZZZCW-IBGZPJMESA-N 431.562 2.492 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1624270177 DBUGXWDGRMELMJ-IBGZPJMESA-N 425.554 2.454 30 10 IEEE CN(C)C(=O)COc1cccc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1629787197 GZGLLUODMVXXML-UHFFFAOYSA-N 439.491 2.196 30 10 IEEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1631522092 DBSJGUFEAGUGNJ-QGZVFWFLSA-N 449.433 2.357 30 10 IEEE C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1632364209 QKOLJCKCAAMYGF-LJQANCHMSA-N 436.390 2.343 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(Cl)cc1F 1636567603 VAWMMSFXJXKGFS-QGZVFWFLSA-N 427.871 2.362 30 10 IEEE Cc1cccc(COc2cccc(CC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)c1 1637512684 BHKUBAXYRRNTHB-UHFFFAOYSA-N 430.464 2.334 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)c1 1638167145 OZDBFNQGHFLALY-KRWDZBQOSA-N 447.879 2.309 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1638429480 RZRSUCHHLKEJEF-CYBMUJFWSA-N 449.252 2.120 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2CCS(=O)(=O)c2ccc(C#N)cn2)C1 1648111376 YMPXZZSYEVJXOI-ROUUACIJSA-N 434.562 2.448 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)COCCO1 1649540438 VYIFKFDEGPXRGY-NRFANRHFSA-N 448.593 2.446 30 10 IEEE O=C1C=COC2(CCN(C(=O)Cc3ccc(S(=O)(=O)CC(F)(F)F)cc3)CC2)C1 1652926419 YJYZIWHLWWTLTN-UHFFFAOYSA-N 431.432 2.429 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)nc2C1 1672971103 HYQXIIPSQYQIQP-KGLIPLIRSA-N 427.486 2.373 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCN1C(=O)OC(C)(C)C 1674525452 PKYUGIBVULIVCU-XYJFISCASA-N 443.552 2.356 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1689830958 DXNRNGSRWWIVLD-AWRGLXIESA-N 446.640 2.050 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1689850389 AVRHUUFLAOPYPM-NEPJUHHUSA-N 447.508 2.356 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1689907863 OEQSOTMYGYDHLL-UHFFFAOYSA-N 438.561 2.161 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1cccs1)N(C)C 1689953861 BYVANQXRIPZIOW-SFHVURJKSA-N 433.545 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1690035007 YXIHWCWTJXTWTN-UHFFFAOYSA-N 446.349 2.051 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(OC)CCOC1 1690035945 OUHVQUFNKJQMHK-IBGZPJMESA-N 432.322 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1690108032 MVULDEAJIVIMTQ-UHFFFAOYSA-N 431.953 2.487 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690169768 NUDGRZUJLAPFRZ-OAHLLOKOSA-N 426.550 2.214 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2cnn(C)c2)CC1 1690188690 NNLHVFXJQSVNPC-ICSRJNTNSA-N 444.605 2.486 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1690204409 JKYVXOYBLXUVSO-YZUZCNPQSA-N 428.625 2.438 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1CC 1690206265 LDGIYFOMOXDLTB-LMVRJCEZSA-N 449.621 2.429 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690234358 BRIBGYNLVIMXKM-HZPDHXFCSA-N 426.359 2.197 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690435623 BZPAWGXWOUQVGB-GOSISDBHSA-N 437.548 2.070 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1690593137 USVMLHAVYHNOBH-UHFFFAOYSA-N 435.532 2.143 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1690673045 MMDIYJPYABJXNB-UHFFFAOYSA-N 449.534 2.334 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(CC)nn(C)c2OC)C1 1690699674 HVMMVWDQYOADGJ-DLBZAZTESA-N 430.553 2.306 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCN(C)C2)C1 1690711805 IOLZGXMZEUOSOC-URXFXBBRSA-N 441.576 2.322 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)NCc1ccco1 1694734791 JSNTXYFQQLRYMY-UHFFFAOYSA-N 437.479 2.087 30 10 IEEE CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1695146809 PEIQZMULKXEEHB-DVSFIDLUSA-N 430.553 2.398 30 10 IEEE CN(Cc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1696705295 ALENPSHMOAYVMW-DMEQXSTQSA-N 426.477 2.276 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1697736482 GTWNXGXUWMESBX-MRXNPFEDSA-N 436.495 2.355 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCOCC1 1705479948 MSDQBSHGNAPIKT-HOTGVXAUSA-N 449.397 2.472 30 10 IEEE C#CCCCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705539554 VDSJSPVVQFTRTI-VQIMIIECSA-N 429.487 2.416 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Cl)c(OC)c2)CC1 1705632634 XAIINLRMGOBBSV-UHFFFAOYSA-N 444.967 2.076 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705725962 CCQSCCXKZQFXEX-AWEZNQCLSA-N 442.474 2.255 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705896819 ZBYAPWPRIOXYSK-HNAYVOBHSA-N 429.521 2.126 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(C#N)CC1 1705935618 XGXHJWMRAIAQIX-UHFFFAOYSA-N 429.546 2.218 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H]1CC 1705939166 SSADDABRTIOROM-OWSLCNJRSA-N 426.583 2.228 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(C)(=O)=O 1706069902 FHACUBSVLDFQOP-CQSZACIVSA-N 436.607 2.421 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn2ccccc12 1706639067 CSNNHLDYAVIEGE-UHFFFAOYSA-N 428.500 2.474 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1COCCO1 1708530974 NZSZPXMNXDHMPG-HKUYNNGSSA-N 425.537 2.190 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722301460 BOBBXARZOQZRCJ-OALUTQOASA-N 445.589 2.213 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722317255 ROTOMKPIFMYABE-OALUTQOASA-N 449.621 2.116 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1ccco1 1722343112 HHPHHNKYRJFGQY-UHFFFAOYSA-N 431.294 2.139 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCc2nccn2C1 1722376817 DJBMLOJEXMLEDT-SFHVURJKSA-N 430.512 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CC(OCC)C1 1722392909 WEBWXKIDBLJDCE-UHFFFAOYSA-N 438.528 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(N(C)C)CCOCC1 1722399988 XBWPLWLJLQMHGJ-UHFFFAOYSA-N 445.571 2.090 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722417851 WEOHRQXCKRGGAE-IKGGRYGDSA-N 429.487 2.346 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1722488276 FDHHYQIASYTNKU-UHFFFAOYSA-N 433.354 2.477 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722524314 BIZXNCSOUGUGEP-UHFFFAOYSA-N 432.519 2.370 30 10 IEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722687853 OULGVQOFZOOSFV-FQEVSTJZSA-N 438.532 2.427 30 10 IEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1722802912 BBNNJGABELIJGK-FQEVSTJZSA-N 447.499 2.296 30 10 IEEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)cn1 1730169294 DCGXZIHHISCZQY-FQEVSTJZSA-N 441.492 2.163 30 10 IEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCN2CCCO)CCO1 1731186623 FKAVYIUUDKMCGK-YADHBBJMSA-N 438.576 2.029 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1cc(CO)nn1 1740552381 XDPABDDJSVKDLE-MRXNPFEDSA-N 432.488 2.232 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCCC2)nc1 1740630696 DVWYTYQSLXZBEK-DEOSSOPVSA-N 434.544 2.047 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1740661604 GHLHLYJFLFYLOA-YJBOKZPZSA-N 433.603 2.378 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1740663640 ODPMXDSZFBXWBX-DEOSSOPVSA-N 439.560 2.334 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1740700674 ZBIYUBFZQNEWEW-UHFFFAOYSA-N 448.527 2.463 30 10 IEEE C=CCn1c(N(C)C2CCN(CCn3cccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740950189 UVRPUDVXQSJWJI-HSZRJFAPSA-N 443.596 2.302 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1746471221 BUXWKNMMFOJEOV-JOCHJYFZSA-N 439.495 2.278 30 10 IEEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1747461637 WRSUNDIGAQKMHW-HKBQPEDESA-N 440.529 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1C 1748846905 MDSNRCFENQYZJS-FPOVZHCZSA-N 433.560 2.198 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ncn(C)n1 1748949797 BXBKETIAYJQPHS-OAHLLOKOSA-N 425.562 2.394 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCCN2CCC)CC1 1749019483 VVCSEEYPDLKSJQ-HXUWFJFHSA-N 430.597 2.045 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749032833 RETIDSQJEBLOQM-NRFANRHFSA-N 426.521 2.282 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749222583 JZQCUUOABAQGMY-FQEVSTJZSA-N 440.548 2.069 30 10 IEEE C=C(C)COCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1749241117 FOPFSBPRJOWOJL-UKRRQHHQSA-N 442.492 2.293 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCO3)CC1 1749329411 LMUWLRBVHNJBCM-HNNXBMFYSA-N 447.561 2.110 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1749592140 DCIXYPOOMLOOFE-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1749772181 GLPINXTZHDEVEJ-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE COCCOCc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750080519 HPYDVRGIFCBESC-FQEVSTJZSA-N 434.500 2.280 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1752581099 BUNFOGPMMCBREK-IFXJQAMLSA-N 434.504 2.331 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCCC1 1760175713 PQMADJDNSSLSGR-GOSISDBHSA-N 430.530 2.217 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNc1nccc(C(F)(F)F)n1 1760177715 MQGZBERQXYJTNL-UHFFFAOYSA-N 433.442 2.130 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCn1ccnn1 1760233220 RNPBAKWUUUKQHA-UHFFFAOYSA-N 445.531 2.377 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccn(C)n1 1760238341 RLGTVNQVJFXKFS-UHFFFAOYSA-N 446.603 2.079 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@@H]2C)CC1 1760260833 FNAXGQIGMGNIKJ-ZWKOTPCHSA-N 426.590 2.461 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760335649 PFYADSLJXJUSJM-PXNSSMCTSA-N 441.580 2.401 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1760337441 QWGCIGBLEUTPSO-QGZVFWFLSA-N 437.610 2.422 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760521863 FXQROHWMJDMMBW-OAHLLOKOSA-N 448.593 2.014 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC2CCCC2)CC1 1760526677 RMVIDSWQOPSEGL-UHFFFAOYSA-N 441.580 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCCOCC1 1760553748 ZAZSYKRKAMXXSL-UHFFFAOYSA-N 427.530 2.321 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C1CC1 1760690497 DADGQDLCGJOBBH-JKSUJKDBSA-N 444.609 2.317 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)o1 1761760248 DCGVNUDEQMOVBA-WMZOPIPTSA-N 438.463 2.059 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1765473539 YNWAWKGCFCWSKN-BXKMTCNYSA-N 449.559 2.228 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1767260249 GGLSTZGOMJXCHL-UHFFFAOYSA-N 434.426 2.379 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1(F)CCC1 1767942741 LQLQKRCDDUJCPF-INIZCTEOSA-N 428.516 2.474 30 10 IEEE CO[C@]1(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1768239830 OBYJCHXGBDYDIS-FKBYEOEOSA-N 433.553 2.254 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1769659394 UJYWSQOQIHYICD-UHFFFAOYSA-N 448.531 2.369 30 10 IEEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@H]1CCN(C)C1=O 1848772121 SIZQHHQTILQRAX-NRFANRHFSA-N 439.537 2.297 30 10 IEEE Cc1nc(N2CCN(C(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)cc(C(F)(F)F)n1 1852855143 ORBACBZFAWFWFZ-UHFFFAOYSA-N 444.421 2.297 30 10 IEEE Cc1c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nnn1Cc1cccc(F)c1 1853062126 PRKYLOKNVNXPMS-UHFFFAOYSA-N 449.490 2.020 30 10 IEEE COc1ccc(CC(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)CC#N)c3ccccc32)cc1 1857463959 PWBIHJBDZWPHFX-HNNXBMFYSA-N 427.482 2.249 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1858374912 SBJIEDUKEVDNMF-GOSISDBHSA-N 440.525 2.218 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc1 1862631067 IFOPUZPNJCPKDZ-LJQANCHMSA-N 439.420 2.163 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccccn3)CC2=O)cc1 1874198347 XSBIMOBSEQKLJB-LUILSVGHSA-N 438.513 2.169 30 10 IEEE CCCNC(=O)CSc1nnc(C2CC2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874518907 QFZZBMUSDDDPET-UFFVCSGVSA-N 446.489 2.335 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c(F)c1 1891008035 JKAIFDFAMPCJBR-UHFFFAOYSA-N 442.458 2.243 30 10 IEEE C[C@@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)n1nc(-c2ccccc2)ccc1=O 1891416509 ZDCWJQLCKTWDMI-FUHWJXTLSA-N 430.468 2.203 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 1901324890 BPHPEZFFEZYCHV-RBUKOAKNSA-N 437.606 2.166 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)[C@@H](C#N)C1 2044268057 NJYGADPCFRLESE-GBESFXJTSA-N 442.516 2.076 30 10 IEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)COc1ccccc1C#N 2054366912 GKRKGTSCLSJYKC-UHFFFAOYSA-N 448.520 2.471 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751770 IGUXPLPJKWTYEM-HCROLABASA-N 436.358 2.442 30 10 IEEE C=C(Br)CN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2077072673 GQYXELKFUSSWJW-GFCCVEGCSA-N 439.372 2.166 30 10 IEEE CN([C@@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108361917 HUINHONAVZXECI-BBRMVZONSA-N 435.399 2.117 30 10 IEEE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCN)cs1 2177659138 ANNPGFPENOLEPM-OAHLLOKOSA-N 445.566 2.115 30 10 IEEE Cc1cnc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224124022 KHTXDRDZMZQLSJ-HOTGVXAUSA-N 433.358 2.154 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247923300 WFBVWHVKQIONLF-BETUJISGSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255807768 AOQFJNMHOSFUDU-MELADBBJSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831516 XDFCXJGPTAPTEM-CQSZACIVSA-N 434.346 2.228 30 10 IEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2255852586 GIOMDMKOJHCCFV-DZDAQESYSA-N 438.330 2.184 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870852 PIFAUHDOFJBTMY-GJZGRUSLSA-N 431.342 2.271 30 10 IEEE C#CCN(CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256598408 QBGVLRCSFTXTCC-UHFFFAOYSA-N 428.338 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256717960 MLCPMKHLYXFYEH-OPAMFIHVSA-N 434.342 2.154 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2259927539 YYERERFEJAQVIX-PEBXRYMYSA-N 431.342 2.301 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267128324 XHCDBSAPCJBLFH-GOSISDBHSA-N 438.381 2.456 30 10 IEEE CCn1cc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267492595 UQVLBMROPYHZFV-GJZGRUSLSA-N 448.373 2.378 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267519710 IHGIUSPNTDQHIC-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2267595674 GHJJXFGWGVIONJ-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE COC(=O)[C@@H](CC(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2268628755 MGSLGFHAPPEZPC-MRXNPFEDSA-N 448.325 2.381 30 10 IEEE CC1(C2CCN(S(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)CC2)OCCO1 2282493300 SJXFBKDYFVCBFC-UHFFFAOYSA-N 443.396 2.211 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc(F)c2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296943094 RHDCMFAMVLFTLG-SFHVURJKSA-N 430.388 2.165 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]1C2 2312860943 IECINVDJDMCCLB-FRFSOERESA-N 431.342 2.442 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)n1C 2337191027 UPXJEFRQYQTLDS-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337193155 BWSTVJOHVTZFKJ-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE COc1nc(N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787414 ZWACFMAYMSUWMG-OAHLLOKOSA-N 449.357 2.119 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N(CCC#N)CCC#N)CC3)CC2=O)cc1 21449578 RBEWARVHUCGJSY-HXUWFJFHSA-N 435.528 2.242 30 10 IEEE CCOCCCn1c(O)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(C)c(C#N)c1=O 38621168 WONXZOMPBZPRNA-UHFFFAOYSA-N 430.457 2.417 30 10 IEEE CNC(=O)[C@@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(F)c(F)c1 106056940 VMBCKKQKBSEWRV-IBGZPJMESA-N 426.427 2.032 30 10 IEEE C=C1[C@@]2(C)C[C@@H]3[C@](C)(O)C4=CC(=O)OC(C)(C)C4=CC[C@]3(C)[C@@]13C(=O)O[C@@H](C)[C@@]3(O)C2=O 257371040 IJLFVBWYDPGYDN-VWWXGZBOSA-N 442.508 2.164 30 10 IEEE biogenic COCCN(CCC#N)S(=O)(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 409491518 ABFACCKYMWJDNI-MRXNPFEDSA-N 441.554 2.167 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(Br)c2)cc1C#N 427787851 JWLGCDKFKFSFGB-UHFFFAOYSA-N 438.307 2.057 30 10 IEEE CNC(=O)COc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1OC 438609284 IBAIOFPVCNSFEB-UHFFFAOYSA-N 438.484 2.207 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCC1 461279667 WUFZVOSOMVIUNU-UHFFFAOYSA-N 432.488 2.171 30 10 IEEE N#Cc1c(CCCNC(=O)Cn2cc(-c3ccccc3)nn2)nn(-c2ccc(F)cc2)c1N 474165179 RYDYMUNUWLBIQS-UHFFFAOYSA-N 444.474 2.473 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 504451088 OUEYJTFPXGQLJK-IIBYNOLFSA-N 444.495 2.151 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3ccc(-n4cccn4)cc3)C2=O)cc1 504733794 MJNXXSPVPSDNMI-OAQYLSRUSA-N 442.479 2.308 30 10 IEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C)cc1C 514646425 CBWGGBIKKPHOPC-UHFFFAOYSA-N 447.560 2.172 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3nccs3)cc21 526846015 VNFKWKZEKFJACR-XETJZTBLSA-N 433.511 2.013 30 10 IEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C2CC2)C(=O)C1 574341703 HZBFLSFDRIGSMA-UHFFFAOYSA-N 449.603 2.030 30 10 IEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 577473117 GQQWGDDFECIFFU-AWEZNQCLSA-N 428.518 2.041 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(F)c1 584547500 CNPYRABWZOUEJL-SJORKVTESA-N 429.473 2.036 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccncc3)c2=O)cc1F 588157535 BYPURMBDMSWRBO-UHFFFAOYSA-N 435.480 2.314 30 10 IEEE C[C@H](O)Cn1c(N/N=C/c2ccc(OCc3ccccc3)cc2)nc2c1c(O)nc(=O)n2C 606631140 VLUWWUOOWMZDJR-ZWGXDWAISA-N 448.483 2.241 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1Cc1ccccc1 610954984 INUYBSYKZHOEHK-UHFFFAOYSA-N 441.512 2.486 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(Cl)cc1 727416500 SPLURNVRIRQEKO-UHFFFAOYSA-N 425.897 2.271 30 10 IEEE C#CCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 729330528 FNQITEDBKNPCNS-NUJGCVRESA-N 433.530 2.340 30 10 IEEE CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 730311284 NDYSPFFCOBTVLP-IBGZPJMESA-N 440.525 2.428 30 10 IEEE C=CCn1c(-c2ccncc2)nn(CN2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747831117 YTVYMUNAXCXAKN-MWDXBVQZSA-N 443.529 2.045 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCn2ccnn2)cc1 752530144 XMFPFYNTQWNEET-NKFKGCMQSA-N 433.538 2.083 30 10 IEEE COC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2cnc(-c3ccncc3)s2)NC(=S)N1 753384413 QEXCGNDSOROOKK-OAHLLOKOSA-N 437.506 2.429 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 763607981 VIQWEQJYUNDKGD-IKGGRYGDSA-N 443.552 2.214 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)OC)c(F)cc1Br)[C@H]1CCS(=O)(=O)C1 774045818 ZINYYHJDVKNRPB-JTQLQIEISA-N 447.282 2.029 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 781052954 JYCNLJJIGIQHIX-GOSISDBHSA-N 435.546 2.379 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 788067408 NYVSADZEJYOKRM-QGZVFWFLSA-N 435.527 2.280 30 10 IEEE COC(=O)[C@@]12CCOC[C@@H]1CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@@H]1CCCO1)C2 802685583 JNNHNMPTQBCAKE-SFYKDHMMSA-N 437.500 2.012 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(Cl)cc1 811962980 DOMFBABNNQCIQV-IBGZPJMESA-N 440.935 2.173 30 10 IEEE C#C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccc(F)cc1 812749015 ZNUZAIJUGSDBKR-FQEVSTJZSA-N 445.516 2.077 30 10 IEEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(N2CCCNC2=O)cc1 812942023 PKWWNMPHFXXFNC-KRWDZBQOSA-N 433.516 2.466 30 10 IEEE COC(=O)[C@@](C)(NS(=O)(=O)c1cnc(C)c(C#N)c1)c1cccc(Br)c1 813665046 FEZKFCKTUYTEDV-KRWDZBQOSA-N 438.303 2.391 30 10 IEEE O=C(NCC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1ccc(F)cc1 819287133 MKFSWUYTVFKTFQ-RYUDHWBXSA-N 443.319 2.156 30 10 IEEE COc1cc(NC(=O)CCSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc(OC)c1 1083871625 VSPAQKHLCPTDLV-UHFFFAOYSA-N 430.494 2.122 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1116553648 QHNRQYYLGOSVHM-DNVCBOLYSA-N 436.306 2.020 30 10 IEEE Cc1nn(C2CCOCC2)cc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1175748803 IUAHFMXMPPWFFU-SFHVURJKSA-N 436.472 2.258 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1175854221 OCDKHXMLVQXNDQ-FQEVSTJZSA-N 429.561 2.389 30 10 IEEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)c(C)c1C 1184796724 FAQVHFKJZWBROK-UHFFFAOYSA-N 441.619 2.415 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N(C)Cc1cc(C#N)cs1 1198195005 PDKXMKLGZYLUCZ-ZDUSSCGKSA-N 436.559 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1248552779 LIAFMGRDHFRFPG-GOSISDBHSA-N 443.552 2.361 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1286398243 HWMJJESUCZCCMO-JOCHJYFZSA-N 432.572 2.452 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1cn[nH]c1 1286418485 JTAKBQPHCRFDCY-UHFFFAOYSA-N 434.500 2.400 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1286450003 BKTRXZVDMZXKHQ-INIZCTEOSA-N 435.525 2.052 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286459398 ORGJGULCLHLWNB-OALUTQOASA-N 428.581 2.257 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCCOC)CC1 1286543305 IWIGGLSFJVSPCA-UHFFFAOYSA-N 426.359 2.118 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ncc(F)cn2)CC1 1286562624 AROBUOIKOOPBSM-VQIMIIECSA-N 431.516 2.052 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286593051 BBAUUJKTAXQJAB-KRWDZBQOSA-N 428.924 2.421 30 10 IEEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCN(CC)S(C)(=O)=O)CC1 1286662448 LJGPZPRIBZBISK-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286712076 SBAIRUPCSKGKHF-SJLPKXTDSA-N 448.593 2.020 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1294846717 HQTXKEBWKJEDLI-OAQYLSRUSA-N 428.468 2.075 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1297588721 XVMMYMMAUPFNNT-IBGZPJMESA-N 426.521 2.070 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1300472020 VPPDYGYLDCGDLQ-HSZRJFAPSA-N 447.587 2.214 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1cccc(C)c1 1300540941 HAAZKXBGRCOTNQ-UHFFFAOYSA-N 432.553 2.445 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(F)cc1 1300671047 APIJHRGAPFOISF-SJLPKXTDSA-N 434.537 2.209 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1300779276 UFPFSRZIPUFHPW-XMMPIXPASA-N 434.544 2.256 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300813829 RWSGCWBLBGSMOF-OPAMFIHVSA-N 430.553 2.306 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1300991898 XMQMRWAICJALLX-OAQYLSRUSA-N 443.548 2.152 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301260415 ZHNIFVQOILLBJR-MOPGFXCFSA-N 441.532 2.405 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)C[C@@H](C)O1 1301371903 CZVICLQEAPSBGD-QRWLVFNGSA-N 435.532 2.456 30 10 IEEE CC(C)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccc(Cl)cc1 1301460102 FZCANFFXMYQYHM-UXHICEINSA-N 435.933 2.364 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1301520882 RWPGYWLLSJHAKD-SJORKVTESA-N 448.568 2.125 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1301557224 NQFZBRVVYDSNAP-ICSRJNTNSA-N 443.523 2.061 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CCOC1 1301587077 QUEXIPAMUGQIER-GOSISDBHSA-N 429.546 2.107 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC(C)(C)C1 1302051484 GLWFVYMPPAHYCL-AVRDEDQJSA-N 434.585 2.243 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](O)Cc3cccc(Cl)c3)C2=O)cc1 1303285857 GGRWRDRUAKMRFY-RBUKOAKNSA-N 440.887 2.136 30 10 IEEE C[C@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1305237567 FAXLANGVWNNTQK-JGWKNBOWSA-N 444.586 2.399 30 10 IEEE Cn1nccc1CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F)C1CC1 1314931639 FNLBDOBZBYDVGZ-UHFFFAOYSA-N 440.458 2.101 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCCOCC(F)F)c1 1316532339 XCPXSIUELSUGNT-OAQYLSRUSA-N 433.459 2.484 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 1350951511 FSAQLYTVJBRKRT-UHFFFAOYSA-N 428.493 2.361 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1Br 1352232401 MTWNRFBZGQAABN-UHFFFAOYSA-N 434.315 2.467 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2Cl)CC1 1359038303 QWOKIPMKNKNWPL-UHFFFAOYSA-N 426.952 2.052 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1359127429 QBNIMELMQIYTKN-JKSUJKDBSA-N 431.628 2.059 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359287038 ILNSQYMCMJESSX-QGZVFWFLSA-N 430.553 2.390 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359306242 ZXXVUHCYEHQJPN-VXKWHMMOSA-N 435.569 2.016 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1360393826 ZURHZXWAWJGTMD-QGZVFWFLSA-N 426.521 2.211 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCS(=O)(=O)N=S(C)(C)=O)s1 1439345644 FPHJVCSFHPWSMP-UHFFFAOYSA-N 446.041 2.012 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)CC2)c1 1440874623 HLXSTXAMYHILOE-INIZCTEOSA-N 440.301 2.490 30 10 IEEE Cc1c(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cnn1CCC#N 1446749958 NBQBFTPSATUSBV-QFIPXVFZSA-N 434.544 2.054 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc(-c4ccccn4)n[nH]3)C2)C1 1449561682 CNHXXLGMBPLVNT-HEOKHYPTSA-N 437.504 2.270 30 10 IEEE CON(C)S(=O)(=O)c1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)ccc1Cl 1454246882 NAOXFMLIMYCWAH-UHFFFAOYSA-N 434.905 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ncc(C#N)cc3[N+](=O)[O-])C2)CC1 1458115622 CMRSWJOUKRGOQV-INIZCTEOSA-N 444.492 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2Cc2ccc(Br)cc2C#N)C1 1460724142 FSYCJZMBNAGTIT-UHFFFAOYSA-N 435.322 2.242 30 10 IEEE C#Cc1ccc(S(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc1 1463710669 MKKZFURWBRACQL-UHFFFAOYSA-N 439.581 2.318 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 1471084853 XXOLAHGXURXMTP-JOCHJYFZSA-N 433.424 2.341 30 10 IEEE CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2cccnc21 1471426761 OFRZJHTWMMCXIW-UHFFFAOYSA-N 441.557 2.159 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)CC1 1471593163 GYVDEXWBOXXNAY-OAHLLOKOSA-N 429.322 2.364 30 10 IEEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1472254867 ADWGXDNMQURLJZ-AZUAARDMSA-N 448.479 2.054 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C(F)(F)F)O1 1494252828 LRJCYJQFSGZBQJ-AUJRIZCKSA-N 448.449 2.451 30 10 IEEE CCN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1502178304 CKWPQKCGEMBZMR-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2noc(CC)n2)CCOC1 1502676227 GENHMLMISFFKPV-OAQYLSRUSA-N 429.525 2.248 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1507632400 ZZRPQZJZOVJAFF-SFHVURJKSA-N 436.541 2.027 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1C 1507673482 WAMMYWJWVSNPTB-QZTJIDSGSA-N 425.558 2.405 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1507717421 CDPZUZUTJYWDDX-QHCPKHFHSA-N 427.549 2.125 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1507726868 MFCQOJKGTDTXRK-JOCHJYFZSA-N 447.587 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1507803534 HRJBOHHGKZNEDK-FPOVZHCZSA-N 439.564 2.097 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCCOC 1507980808 FZRWDCXOKDTQLF-UHFFFAOYSA-N 426.477 2.097 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](COC)C1 1508078820 JSTGATDPWOKLEP-MRXNPFEDSA-N 427.505 2.229 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1508079499 XOQQIAULECEJOR-JOCHJYFZSA-N 442.495 2.487 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nnc1C(C)(C)C 1508097309 HNCSZYUACFWSDL-IYBDPMFKSA-N 432.569 2.181 30 10 IEEE CC(C)(C)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508486036 IAJVXPJUMPVUGC-AMGRQBIBSA-N 428.537 2.107 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C[C@H]1N1CCOCC1 1514140481 NLDWDURXAYTBQA-HLAWJBBLSA-N 442.539 2.348 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1521083153 SVHPDBBUYYCUMZ-GVDBMIGSSA-N 437.422 2.124 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)ccc1F 1521174614 NWPWKLIZVARBLN-CQSZACIVSA-N 428.486 2.259 30 10 IEEE C[C@H](Sc1nc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1)C(N)=O 1525475063 WSPARJKPXZJGLI-AWEZNQCLSA-N 431.587 2.114 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)CC2)c1C#N 1538698499 UGDDPCVTRJMLQY-UHFFFAOYSA-N 445.314 2.450 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@@H](F)C2)c1 1539042573 INNGYLSSRJQODH-LMMKCTJWSA-N 438.507 2.424 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1539370074 SRLZMDRTCYVDMO-GOSISDBHSA-N 443.573 2.404 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1539436647 XYHZKXILJRTNNS-UYAOXDASSA-N 439.560 2.390 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCCCCO)CC1 1539445773 FSHWUAJAJUJLSE-UHFFFAOYSA-N 433.560 2.439 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1539482216 RWFBOXMFKDVBJX-UHFFFAOYSA-N 449.559 2.303 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1539962380 OMJOOHOZXYCLGM-SFHVURJKSA-N 432.521 2.206 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1540151507 ITZACRMBPKGZNG-HSALFYBXSA-N 444.580 2.469 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)n(C)c1=O 1540853142 OBYYNESYRMRVPC-UHFFFAOYSA-N 428.562 2.328 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](Cc2ccccc2)C1 1540901598 JKRPUIJJUGSPPJ-LJQANCHMSA-N 438.557 2.405 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1541124806 WYZNHMCRRZVQJT-YKTARERQSA-N 431.562 2.500 30 10 IEEE C#CCOc1cccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)c1 1543416003 AZQFMUZTSCVFII-HXUWFJFHSA-N 444.509 2.367 30 10 IEEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)on1 1544607602 FZTGMRKKMORREZ-XLNRJJMWSA-N 434.474 2.307 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1555269686 LFPACPOVZWOKST-IAGOWNOFSA-N 433.484 2.454 30 10 IEEE C#C[C@@](C)(CC)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1556664507 QVBDTGTZRDPSSM-UGSOOPFHSA-N 443.363 2.438 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@]2(CCSC2)C1 1557145488 HWOJVGXNWDMITO-FQEVSTJZSA-N 437.587 2.020 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3Cc4ccc(C#N)cc4C3)CS(=O)(=O)[C@H]2C1 1557206510 HWKAXCIQBQDWPO-QRVBRYPASA-N 445.541 2.071 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)c1 1558899895 REKWTWWEMHJJSI-UHFFFAOYSA-N 443.525 2.339 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CO1 1565424521 FHFPCVAWGZBNFT-GOSISDBHSA-N 443.504 2.469 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 1565630079 RBOIPXYSRZYEHR-LVZFUZTISA-N 440.481 2.338 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1 1586986300 DOWICHXBNDAGQI-UHFFFAOYSA-N 425.470 2.009 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1S(C)(=O)=O 1587662504 NWYPTHIVSUWHSY-PKOBYXMFSA-N 440.573 2.163 30 10 IEEE C#CCOc1ccc(C(=O)N2CCC[C@H](n3nncc3I)C2)cc1 1588403478 DTSYBIHDFGARCC-AWEZNQCLSA-N 436.253 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1CCOCC1 1588612238 CDXYXLLKAICWHS-UHFFFAOYSA-N 427.549 2.151 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCOC2)CC1 1588790970 IXRNNXSLMOPVGU-GOSISDBHSA-N 425.533 2.144 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCOC)cc2)CC1 1588800711 NHGMOPZEEPVAAV-UHFFFAOYSA-N 432.528 2.169 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@@H]1C 1589185655 FTWHZSSLYHFFNN-ZGNKEGEESA-N 426.517 2.494 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1593775729 DFEVRPZTYVXXGR-XUVXKRRUSA-N 433.597 2.310 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1594824542 KQNNTJSWOXIORJ-QHCPKHFHSA-N 425.533 2.475 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCOC1 1595099416 ASPJVLZYIGFGAO-XMMPIXPASA-N 430.512 2.480 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595506696 JQARIEUFMZREOA-OAQYLSRUSA-N 446.939 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1595811864 DULXTDIDRQIUQC-QGZVFWFLSA-N 449.552 2.413 30 10 IEEE CN(CCCO)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1598134535 YJSZGJROWRKOJR-OTQYULQBSA-N 434.581 2.078 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOCC2)CCOC1 1610432722 VJVHTHAPFMXEJB-QHCPKHFHSA-N 446.596 2.171 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1=O 1614875085 GDDVNJOPXSUSKU-HNNXBMFYSA-N 437.399 2.083 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 1616450155 UBKOENGMIRCRHF-SELNLUPBSA-N 432.565 2.381 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCO[C@](C)(C#N)C2)ccc1Br 1617896241 XODRQBRELGLVNI-QGZVFWFLSA-N 444.351 2.281 30 10 IEEE CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1(C)C 1618488394 LKCRWKKFMNASCG-HXUWFJFHSA-N 429.613 2.328 30 10 IEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1620203959 NJVAVONHNWTZNP-WDYCEAGBSA-N 440.573 2.443 30 10 IEEE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1620480982 ZSXUPKOZBHKLFL-PMACEKPBSA-N 434.968 2.096 30 10 IEEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(c2ccc3nncn3n2)C1 1621006442 JBAUVEMYFRXRSG-MRXNPFEDSA-N 427.306 2.267 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc3c(c2)CC(=O)N3C)cc1 1622886689 PPKNHDLBEZTPNR-UHFFFAOYSA-N 428.514 2.334 30 10 IEEE C=CCOC[C@@H](NC(=O)c1cc(Br)cc(Br)c1N)C(=O)OC 1635158952 PEJRXGVSOSNSHC-LLVKDONJSA-N 436.100 2.268 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)s1 1636032898 UFRJMYOQCPCXBR-OAHLLOKOSA-N 443.591 2.271 30 10 IEEE CNCCCc1n[nH]c(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c1C#N 1638117264 PTCIWTZTJSYCSJ-UHFFFAOYSA-N 425.420 2.357 30 10 IEEE Cn1c(N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c(C#N)c(=O)n(C)c1=O 1640399955 IOTSCWCHDNFQLK-UHFFFAOYSA-N 447.923 2.140 30 10 IEEE N#Cc1ccc(N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(F)c1Br 1640497224 MULFNOVHUVZGKU-NOEPWBJOSA-N 430.299 2.083 30 10 IEEE COc1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cnc1OC 1641623502 MOOVMRWFUQPXQN-HNNXBMFYSA-N 432.502 2.191 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)CCOC1 1641763652 IONAADYLJJEULT-RUZDIDTESA-N 449.507 2.227 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c(F)c1 1647846883 HPRVOGHGJMIUSD-UHFFFAOYSA-N 435.503 2.393 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](CO)c3ccc(OC)cc3)ccc2c1=O 1651068947 BKFPVDITPBZNAV-MRXNPFEDSA-N 425.510 2.386 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@@H](O)CC2(C#N)CCC2)CC1 1652696828 LFEIOXCJQFVSSR-INIZCTEOSA-N 427.954 2.100 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1680304145 CWBQSHKCGRMFFT-UYSNPLJNSA-N 430.427 2.224 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689985954 FVUNDUFZOMRMRW-ROUUACIJSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1689994147 RZFRVOHYBHUCKC-IBGZPJMESA-N 427.574 2.327 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689998347 JWBBMFCVPLOGDR-DJIMGWMZSA-N 449.602 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CSCCS1 1690025544 VKUILGMGIMIQJM-HNNXBMFYSA-N 431.612 2.191 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC1 1690124665 QPPRNJFFKSUQHD-NRFANRHFSA-N 436.560 2.013 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1690928890 GIAFEIZHMFBQKW-UHFFFAOYSA-N 445.527 2.471 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCCCO 1692525865 YLZQUGQWWNIBOA-UHFFFAOYSA-N 440.548 2.498 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1693783327 HEEZUEVFOHOMMB-HWGJHUBPSA-N 431.500 2.435 30 10 IEEE CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1694830163 FZKFITRKLALAOQ-MYLKPUPKSA-N 435.532 2.415 30 10 IEEE CN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1696739226 VEVGGLPFSMZHFU-QZQOTICOSA-N 440.479 2.369 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1698318464 ZYEUWHKJGXSFOO-INIZCTEOSA-N 438.504 2.238 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(CN2CCOCC2)c1 1705582092 SWDVLBGZLDOAJD-HSZRJFAPSA-N 433.556 2.473 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1705585849 LXPVHJDZPARFFF-QHCPKHFHSA-N 446.555 2.158 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1705596556 HYOXWJZGRMACFI-HXUWFJFHSA-N 447.543 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705902191 ITUXGADGLVAMLS-QFIPXVFZSA-N 444.967 2.202 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)nn(C)c2C)C1 1705917896 YZUVNRSVBHNFLM-XXBNENTESA-N 444.580 2.499 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1Cl 1705928027 LJOJGWBQRAKAPM-UHFFFAOYSA-N 439.969 2.307 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C)C1 1705935468 SEIGMTOGGIKPPC-IAGOWNOFSA-N 434.562 2.092 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1706232193 WAHHOZCHFZBTOX-GOSISDBHSA-N 426.521 2.116 30 10 IEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1709423350 SYLDSNXRBZAIIB-DEOSSOPVSA-N 449.559 2.180 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1709992626 HLMWKHBIFNYKIE-QGZVFWFLSA-N 437.548 2.132 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS1 1711205914 NGRIJMMOXAWDRG-GOSISDBHSA-N 449.602 2.495 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1711804699 MTMWEXYWVKHHEW-ZWKOTPCHSA-N 433.459 2.225 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722371800 LQTFJQQCKXMGSF-ROUUACIJSA-N 448.614 2.278 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(OC)nc2)CC1 1722440144 DIJMZDNALWHPLU-UHFFFAOYSA-N 432.528 2.107 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nnc(C)s2)CC1 1722440563 AXNKZHORHKYTMA-UHFFFAOYSA-N 441.536 2.154 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)[C@H](C)CC)CC1 1722449202 OAWOYBFBPIPRPX-WIYYLYMNSA-N 438.576 2.291 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722526248 SXUDTXWWWTWZCU-UHFFFAOYSA-N 438.623 2.460 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1722609031 QETLXNKEKBSUEQ-VQIMIIECSA-N 449.577 2.441 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1722629890 PBQCQEBXINZWHU-FQEVSTJZSA-N 427.505 2.052 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722647975 FIUGDKLHLUBLFP-MRXNPFEDSA-N 431.562 2.390 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1722867739 HVBQOLTXZDMZGX-AEFFLSMTSA-N 426.521 2.294 30 10 IEEE C[C@@]1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1724042573 BMWLNAPGVQDPCO-VQIMIIECSA-N 448.321 2.242 30 10 IEEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)Oc1cccc(F)c1 1727258062 DSFFSXKWGYAJBC-MJGOQNOKSA-N 425.468 2.404 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2conc2COC)CCOC1 1728784985 VHGOYJUNRWSWEE-OAQYLSRUSA-N 430.509 2.243 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1740596516 ANDYTDAHFXKZOP-UHFFFAOYSA-N 428.562 2.454 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740626260 WDIWERCEBGQEEB-UGKGYDQZSA-N 434.606 2.189 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1740670144 IKNNNKMUGARRKF-UHFFFAOYSA-N 428.968 2.146 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1740695272 LHSSZCZYEURUOY-IBGZPJMESA-N 435.507 2.487 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740719402 LBFLJXFMYFSARD-LJQANCHMSA-N 440.548 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1740729497 GLZKBPHLIHQXDA-KSFYIVLOSA-N 430.553 2.478 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1740986407 ZXSUMHOUKQCSRE-XTQVGHSUSA-N 439.516 2.050 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1741984189 HZNFBDMWLAKCRT-JOCHJYFZSA-N 429.488 2.100 30 10 IEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(C)(=O)=O)c1 1742155774 GKRLRBRHOQIZAM-QGZVFWFLSA-N 447.561 2.062 30 10 IEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1746076521 SNFPNPIWLQEWFP-AZUAARDMSA-N 438.580 2.453 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnc2n1CCC2 1748776331 FJJNJFNSUHJGPS-UHFFFAOYSA-N 442.321 2.372 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748798656 MDTBGUZYJLEAMK-UHFFFAOYSA-N 429.532 2.455 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(C(F)(F)F)c1 1748825308 UISITFXBPVHJGV-UHFFFAOYSA-N 439.401 2.460 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cnc2ccccc21 1748947921 AERLAOGOLTXSAQ-UHFFFAOYSA-N 444.499 2.061 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2c(CC)nn(C)c2CC)CC1 1749001712 ZOALWAPNQGAXMF-UHFFFAOYSA-N 439.608 2.448 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@@]1(OCC)CCOC1 1749048647 SNDUVWSEYIRXHN-PGRDOPGGSA-N 444.605 2.414 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)(F)F)C1 1750377681 GREWECKUCGVRGR-MRXNPFEDSA-N 427.362 2.294 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1750390126 FTZYEVMMRRYDTF-HZPDHXFCSA-N 439.486 2.243 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)CC1 1751279110 RKYJYPGZURXYBS-HNNXBMFYSA-N 431.541 2.274 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1751474911 LUIXAXCQLBJHJL-YGCDDZCOSA-N 440.504 2.378 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1760098171 PMCUIPXMCFEIBH-HZPDHXFCSA-N 433.578 2.333 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(C)(C)CN1CCOCC1 1760157049 BXPLKRLWNLLAAN-UHFFFAOYSA-N 427.597 2.348 30 10 IEEE C#CCCCn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1760159749 ONTXZJQRZNJVHS-XMSQKQJNSA-N 428.537 2.494 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CC1 1760175530 LMTOOTXVRXDWJL-QGZVFWFLSA-N 433.553 2.473 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN(CC(C)C)C1 1760195402 BBEPLOPUHJVENU-XUZZJYLKSA-N 427.593 2.371 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2([S@@](C)=O)CCC2)CC1 1760258615 ZYOLYUMTHPUTAT-SSEXGKCCSA-N 427.574 2.010 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)CCC)CC1 1760264844 XXRXOMQOKWKWDI-HSZRJFAPSA-N 427.549 2.172 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760277555 OSVDTUXSGIMVSH-OAQYLSRUSA-N 427.530 2.003 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1760450138 FALARCHJOCBZIW-SJORKVTESA-N 428.624 2.351 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760532638 AQOSQWMCDCOVJM-KRWDZBQOSA-N 433.578 2.219 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1761356202 BMZPXPDXCZEJEH-QGZVFWFLSA-N 446.515 2.023 30 10 IEEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)CC#N)s1 1761858307 JUXCBZCCFXAPKI-DZGCQCFKSA-N 438.579 2.216 30 10 IEEE CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1763336230 MCMXOYUBNAIMCA-AWEZNQCLSA-N 444.561 2.151 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCCCCC1 1766336103 UFQQESJKIAVOIP-UHFFFAOYSA-N 426.521 2.435 30 10 IEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1766648334 KQGQEESWPBGLMV-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C#N 1766679010 ABMDNBBVJBMMFK-NSHDSACASA-N 429.344 2.066 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1769434177 BUBMNAIHKVUMAD-FDDCHVKYSA-N 438.532 2.070 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 1772790976 WOYQKFSZCHRSRT-CYBMUJFWSA-N 428.828 2.322 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(F)F 1772842529 KTHKQAKEPSUMCD-AWEZNQCLSA-N 445.474 2.460 30 10 IEEE C#CCN(C(=O)c1nc(S(C)(=O)=O)ncc1Br)[C@@H]1CCc2ccccc21 1851774985 GLIVMKCLLQOEEE-OAHLLOKOSA-N 434.315 2.406 30 10 IEEE N#CC1CCN(C2CCN(CC=CCN3C(=O)c4ccccc4S3(=O)=O)CC2)CC1 1852240326 DNBCREZCTGNVRG-UHFFFAOYSA-N 428.558 2.087 30 10 IEEE COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(CC#N)cn4)CC3)nn(C)c2=O)cc1 1852813297 ICXKYTNADZPZNX-UHFFFAOYSA-N 446.511 2.120 30 10 IEEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2CN(C(=O)CC#N)C(=O)O2)CC1 1856099383 VYOCFJFXLRYEFC-HNNXBMFYSA-N 425.894 2.310 30 10 IEEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)COc1ccccc1 1856892774 YHDSTTLVVSLXSX-UHFFFAOYSA-N 427.482 2.106 30 10 IEEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)[C@@H]2COc3ccccc32)C1=O 1857059663 ILIPVQWBCPHUSK-GOEBONIOSA-N 425.466 2.032 30 10 IEEE COc1ccc(-n2nc(C(=O)N=C3NN=C(c4ccccc4)CS3)c(O)cc2=O)cc1 1859646515 ZLPZVTIRTQSHNE-UHFFFAOYSA-N 435.465 2.184 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCO)ccc1O 1862578348 DTWDZVZNLMPIIS-FQEVSTJZSA-N 443.452 2.379 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862601875 OZCMMHKISQZYEX-HXPMCKFVSA-N 443.452 2.377 30 10 IEEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(CCN3CCOCC3)C2=O)c1 1863316380 RNIAUAZRELVROB-UHFFFAOYSA-N 438.434 2.361 30 10 IEEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870388382 UIDKBVCYQOSEBA-UHFFFAOYSA-N 441.528 2.198 30 10 IEEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCC(CO)CC3)ncnc21 1873593900 WLXNNVWOENJFOC-UHFFFAOYSA-N 428.581 2.288 30 10 IEEE CC#CC[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 2009944169 PJQSPVBNRVKWOA-WZONZLPQSA-N 429.517 2.139 30 10 IEEE C#CC1(Oc2ncnc(I)c2N)CCN(C(=O)OC(C)(C)C)CC1 2012594265 ZTCNOGYIKJPVDH-UHFFFAOYSA-N 444.273 2.445 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068913207 WNJPHNFNBVSXHL-NVXWUHKLSA-N 436.358 2.394 30 10 IEEE CN(C[C@@H]1COCCCO1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172776098 LIIDKTPEAYNIIN-CQSZACIVSA-N 427.148 2.385 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212235828 WCPXXHITHMZFIO-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247835910 SJMJLUXKQDAXLC-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)C1 2249044235 OBIWHQUSQNAWOL-HOKUHMFPSA-N 439.553 2.027 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255634287 OTUXSFXSBKKHOI-MNOVXSKESA-N 447.288 2.114 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CNC(=O)OC(C)(C)C 2255651341 IIWOUNXLJPEBKJ-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255671929 YNJVQQBBLPVOPB-ZIAGYGMSSA-N 434.346 2.131 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126541 MEPPJCHDTMMEON-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267138656 YVVKNPICXRESAL-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267144463 WXIDAVXZVWNNBP-OAHLLOKOSA-N 448.373 2.428 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 2267153751 ZQLRAAZMDWAPKD-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267183493 NQQAFLLFTCCHKC-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)n1 2267493696 MFEBBYDYAYIWAF-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267503967 LRMFHHBRAABRHQ-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267524189 MHROPSFKXPASPG-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268716948 WGKRTQSDZAJZJU-UHFFFAOYSA-N 443.313 2.381 30 10 IEEE COc1cc(C=NN2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C2=O)cc(OC)c1OC 2297639066 XBTXZQPQZJVJMF-LJQANCHMSA-N 448.479 2.323 30 10 IEEE Cc1ccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155773 PSJYDYLLCULFGL-YHYVQYDKSA-N 445.519 2.356 30 10 IEEE COc1cc(C=Nn2c(Cc3ccccc3F)nnc2SCC(N)=O)cc(OC)c1O 2329725963 MMNKTCDMABQIKL-UHFFFAOYSA-N 445.476 2.190 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335456630 BTDNUCSTRNEKEH-JKSUJKDBSA-N 445.379 2.327 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2337192217 JHNAULOJQQHCJV-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 27394009 VKNZALCGZJHFNO-INIZCTEOSA-N 446.529 2.247 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 103936586 RVZTVILDZMRJFH-MWZDLCQNSA-N 448.501 2.139 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 109897253 IBTDTJKAJSAMLL-GOSISDBHSA-N 448.545 2.261 30 10 IEEE CN[C@@](C)(C#N)CCCn1cnc(I)c1I 304459253 XVVAMWAXFFBBNY-SNVBAGLBSA-N 444.058 2.374 30 10 IEEE CC(C)(C)OC(=O)N(CCc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCNC1 382579486 BNWBBNREQJWIME-QGZVFWFLSA-N 432.374 2.307 30 10 IEEE COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)[C@@H](C)n3cnc(C#N)n3)c2C)c1 409906312 OQBQIAKGYCMGKK-VQIMIIECSA-N 435.488 2.122 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@@]3(O)CCN(Cc4ccccc4)C3)cc2C1=O 428974011 ZCYMMZHBCUSWFQ-VWLOTQADSA-N 433.508 2.178 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@@H]2CCCO2)c1=O 440379205 HIYYCWKEUVCWPV-KRWDZBQOSA-N 435.505 2.132 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3cccc(C)c3C#N)CC2)c(OC)c1OC 441623078 SQOMZEUAPCXEHU-UHFFFAOYSA-N 445.541 2.399 30 10 IEEE COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3c(-c4ccccc4C)noc3=O)CC2)cc1 444401809 CPLTXSOBFTZQCE-OAQYLSRUSA-N 447.495 2.229 30 10 IEEE C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 471009753 DUMYPSNBTVAMLL-DOMZBBRYSA-N 431.846 2.299 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)cc1 477975383 KYCMTMVHYXDZPN-LEWJYISDSA-N 435.509 2.350 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)cc1 480373594 XNRGOCRLAQHXMA-DLBZAZTESA-N 439.534 2.068 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(F)c1 481020741 IANFQXJDWWCFJW-IBGZPJMESA-N 431.489 2.226 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)cc1 485095706 VWOLKHFYZWTHRG-XMMPIXPASA-N 441.528 2.236 30 10 IEEE Cc1ncc(S(=O)(=O)N(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N 489608358 HRMSZGQIMPDVPL-OAHLLOKOSA-N 434.543 2.183 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1S(=O)(=O)NCC#N 497457316 BONOPAQFFKLRLE-UYAOXDASSA-N 448.495 2.250 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3sccc3OC)c2=O)cn1 531938688 TUUMWAYQZAIXIS-UHFFFAOYSA-N 440.550 2.058 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1C 532193786 YEPOFMCWODSBSR-UHFFFAOYSA-N 449.532 2.444 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCOCc3ccc(Cl)cc3)n2)cc1 533154257 XQAYZGDBNRQGKW-UHFFFAOYSA-N 438.875 2.123 30 10 IEEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCC1 545385377 UTZYFKPRPIPCQM-UHFFFAOYSA-N 437.996 2.122 30 10 IEEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 553733092 GGPCKQBHQRJZHA-IBGZPJMESA-N 436.560 2.334 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 558337077 HPMLEAPLZJJEOQ-LSDHHAIUSA-N 425.580 2.331 30 10 IEEE C=CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(OC)c(OC)c1 586171505 BDPHJOMRSULLDD-UHFFFAOYSA-N 430.526 2.465 30 10 IEEE CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609256693 CXHHOLOEFHZDMK-UHFFFAOYSA-N 426.448 2.199 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1C(F)(F)F 741340586 FNQUWBWSHUTVFO-YFUPBZDXSA-N 425.363 2.492 30 10 IEEE N#CCC1(COC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 744276763 LLBXUDTXMFHTCP-UHFFFAOYSA-N 429.292 2.039 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1C#N 747495489 ONFLKGNADCWNGM-UHFFFAOYSA-N 438.553 2.413 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C(N)=O)cn2C)n(-c2cccc(F)c2)c1C 756693988 WSFTZWVPIOJVFU-UHFFFAOYSA-N 437.431 2.338 30 10 IEEE COc1ccc(CN2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)c(OC)c1OC 761836700 QCSDPLNJDBGYAS-UHFFFAOYSA-N 438.480 2.137 30 10 IEEE NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCOCC2CCC2)cc1 764938616 GLAHASCAOCGLTO-GOSISDBHSA-N 444.557 2.202 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 766976362 FDRCDPWEINUENF-AWEZNQCLSA-N 445.522 2.147 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccs3)c2=O)cn1 772314830 PUQSOOSYTYAAEY-UHFFFAOYSA-N 436.562 2.383 30 10 IEEE CN1CCN(S(=O)(=O)c2cccnc2NN=C2CC(OCc3ccccc3)C2)CC1 782230610 GEPQHSGUUOBOHV-UHFFFAOYSA-N 429.546 2.165 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)n1 788366056 KWSYUANCPXOHNR-XMMPIXPASA-N 435.528 2.096 30 10 IEEE CN(CCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccnn1C)c1ccccc1 789989131 CKKIBBBGVXTBCC-UHFFFAOYSA-N 435.561 2.388 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)c1 790002865 KSQQGFKBSXBSCT-SFHVURJKSA-N 432.590 2.300 30 10 IEEE C=CC[C@]1(C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)CCCN1C(=O)OC(C)(C)C 791716843 OBEVWHBEAIGOGT-HTAPYJJXSA-N 437.537 2.003 30 10 IEEE N#CCC1(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 797564408 AHIKHOGYUYKPTP-UHFFFAOYSA-N 432.329 2.438 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H]2CCCO2)CCN1C1CC1 802681252 AQTHTQGACKZPCM-OPYAIIAOSA-N 436.516 2.146 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1ccc(C(=O)OC)cn1 803263867 KPSFEWASOJVDCV-HSZRJFAPSA-N 435.436 2.077 30 10 IEEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 807171322 QQJMIDUSSZSCPO-ROUUACIJSA-N 431.489 2.305 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H](C)CCCCC(=O)O 814745792 HINRFLGKBKXKGN-OAHLLOKOSA-N 425.555 2.087 30 10 IEEE CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 820179476 LKIXGHKZIVASBT-MRXNPFEDSA-N 441.868 2.024 30 10 IEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3nc(C)no3)C(=O)[C@]12C 1075950157 NRQSVNNCRWPPDT-YTIHOSAGSA-N 439.424 2.050 30 10 IEEE Cn1nc2c(c1C(=O)N1/C(=N/Cc3ccccc3)SCC1(C)C)CS(=O)(=O)CC2 1124062295 AKSYGQPKZNXMOE-VZCXRCSSSA-N 432.571 2.415 30 10 IEEE Cc1c(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cnn1CCC#N 1124605926 WXTXAFNKKMIVRV-UHFFFAOYSA-N 427.530 2.483 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2=O)cc1OC 1132852907 HDDJRYBLEMKHNG-NHCUHLMSSA-N 433.508 2.250 30 10 IEEE Cc1cc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c(C)n1-c1ccc(C#N)cc1 1138894019 VJBAHPICLFTZLG-UHFFFAOYSA-N 431.500 2.321 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3nnc4ccc(Cl)cn34)ccc2c1=O 1167484517 JHADGLGZVQJJCE-UHFFFAOYSA-N 426.889 2.497 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C[C@H](O)c1cccc(C#N)c1 1171841378 OCWYHVKZIZOCOK-ULQDDVLXSA-N 441.450 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 1211839684 GONZRLIXWAFNLM-ZDUSSCGKSA-N 431.461 2.141 30 10 IEEE CC(C)(CC#N)CNC(=O)NC[C@@H](O)COc1ccc(I)cc1 1251776826 KNDQYXFOVQKCEK-CYBMUJFWSA-N 431.274 2.270 30 10 IEEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)CC1 1264225731 FSOUZYXGYNVQQT-UHFFFAOYSA-N 432.546 2.330 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1286298831 PRCFUHKSZGKNSF-KZNAEPCWSA-N 433.553 2.266 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OCCOC)CC1 1286476091 NSYIZDIALPDWDW-UHFFFAOYSA-N 446.555 2.477 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1286570326 UZXBLCBPZJOPRK-YLJYHZDGSA-N 426.583 2.300 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](SCC)C2)nnc1[C@]1(OCC)CCOC1 1286793068 QIPLJZFXKBYLAS-UTKZUKDTSA-N 437.610 2.344 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)N(C)C 1288672922 GWNQSIXMLJLXSR-UYAOXDASSA-N 448.575 2.481 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1295174472 OWGGPTFPLKEOCA-VQIMIIECSA-N 429.546 2.257 30 10 IEEE CN(CC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1298491706 XWBIQTWSQWTUAZ-ZZEZOPTASA-N 437.460 2.226 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1299198561 CVLULSULVXEWJO-KRWDZBQOSA-N 448.474 2.115 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300498303 IVYBVFLCNWMKQZ-IRXDYDNUSA-N 434.537 2.464 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCO[C@@H]1CCOC1 1300577861 DFLLKSGXAMOAQL-KNQAVFIVSA-N 436.512 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCSC1 1300657261 JANXKRRFOUHIFD-MRXNPFEDSA-N 434.587 2.188 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1300692715 LZKYOJDJUAGOPA-QHCPKHFHSA-N 435.601 2.009 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)[C@H](C)CC)CC1 1300703620 MWARXJVTBUNFFC-DVECYGJZSA-N 435.576 2.069 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1300896382 DVCGBWFGDXZFPR-UGTOYMOASA-N 447.580 2.016 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300907103 CDRKDBZBRGSVHP-INIZCTEOSA-N 447.561 2.358 30 10 IEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C(C)C)N1CCOCC1 1301304780 INJQIDCIIZWIMH-KRWDZBQOSA-N 432.594 2.249 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2cscn2)CC1 1301508184 GEADSVYMOQZTLH-UHFFFAOYSA-N 443.602 2.011 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)O)C1 1301555434 BMWFDPPJAKEQAB-SFHVURJKSA-N 427.553 2.004 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301921234 SORURVWSZNGYIP-OAHLLOKOSA-N 449.481 2.416 30 10 IEEE C=CCCC[C@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OC 1303687272 YFPBYBUEBBOFAE-KRWDZBQOSA-N 445.520 2.424 30 10 IEEE C#CCN1CCN(C(=O)COc2c(Cl)cc(C(=O)OC)cc2Br)CC1 1307379790 XHZYTUBRKBLPOO-UHFFFAOYSA-N 429.698 2.045 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCC3(C#N)CCCC3)cc2)CC1 1311852893 YNWXPJOCXULMFJ-UHFFFAOYSA-N 441.576 2.155 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccc(Br)cc1 1312937144 NOXSMHBDIHPVJI-QGZVFWFLSA-N 442.317 2.149 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1314631128 BWUYWUGDYYXMQF-AWEZNQCLSA-N 447.337 2.305 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1358890170 MBIFMLHTLDJAKE-GHTZIAJQSA-N 438.576 2.275 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359104610 DHXYZQFNBGPAJP-FKKSXTGDSA-N 447.580 2.002 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359200934 WOACIQJFRBGXAU-UHFFFAOYSA-N 427.553 2.214 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCSC1 1359278153 KBFAZCYAXDXDGZ-NRFANRHFSA-N 431.562 2.097 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359293691 XHZHJOIQRPGUGE-MOPGFXCFSA-N 445.589 2.136 30 10 IEEE C=CCNC(=O)Cn1c(N2CCOC3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359305418 CGTSUDNEOYGGIV-QHCPKHFHSA-N 447.580 2.160 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1440422639 MVQRTNBFJOAZCL-HYBUGGRVSA-N 440.544 2.086 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(C(F)(F)F)c1 1449828412 ALPJNEGVOBGNML-UHFFFAOYSA-N 426.420 2.236 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 1453899329 XEKUHEHTDSNZKM-KRWDZBQOSA-N 427.309 2.368 30 10 IEEE N#Cc1c(F)cccc1C(=O)N1CCC[C@H](n2nncc2I)C1 1455178642 XEGZWFIJBNHICI-JTQLQIEISA-N 425.205 2.371 30 10 IEEE CC[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1471958283 LYFUDZCNIUOQIM-WBVHZDCISA-N 428.489 2.247 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1472149165 QWDIXPKRNARVOV-QUCCMNQESA-N 444.532 2.124 30 10 IEEE C#CCOCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1472438886 QRSVGDBHWCCXRO-UHFFFAOYSA-N 444.509 2.371 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1 1476042077 ZDBVZQVPRRVJJO-IBGZPJMESA-N 446.515 2.339 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCS1 1499680320 DKKPPJWIJHJNOA-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2CC2CCN(C(C)=O)CC2)CCOC1 1502659797 DPPSOTDNNFJKED-HSZRJFAPSA-N 444.580 2.319 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)cc1OC 1502816610 PPRHLVTXNWZEBC-LJQANCHMSA-N 438.532 2.343 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1505274050 GKVCJACGOHHWOK-ZFUGZCFHSA-N 428.443 2.405 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1507631829 UGYMIGMFRRBYEU-KRWDZBQOSA-N 447.561 2.134 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507633734 GQKPRAGWMVWTAD-DFQSSKMNSA-N 427.574 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N(C)C2CC2)CC1 1507740708 WXTFBKFUDZGCRO-GOSISDBHSA-N 426.609 2.459 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1507752283 VSJYDAOJXPYBBQ-LJQANCHMSA-N 426.590 2.316 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1507755585 BGUUFKDSVCXZHH-UHFFFAOYSA-N 445.564 2.211 30 10 IEEE C[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1510342897 AFDWTSJFTFMMOP-LAUBAEHRSA-N 444.923 2.159 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1510584920 OFVJUYMARRKNBE-FCHUYYIVSA-N 426.496 2.394 30 10 IEEE CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)OC 1513251244 GLKJTNYTHLULAK-HNNXBMFYSA-N 426.587 2.224 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC[C@H]1C 1518611907 NBWPUIACUJDPDQ-QAPCUYQASA-N 429.546 2.255 30 10 IEEE COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2ccc(F)cc2O1 1530413277 MFCMZBDIGBXZFO-LJQANCHMSA-N 446.456 2.484 30 10 IEEE COC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 1531656263 TWEOAPDFPMJUMB-VQTJNVASSA-N 436.468 2.276 30 10 IEEE COc1ccc(C(=O)Nc2ccc(CCC#N)cc2)cc1S(=O)(=O)N1CCOCC1 1535366269 WSKLIBUVZBQLAP-UHFFFAOYSA-N 429.498 2.425 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1537528703 FXMLGZDJQRUOGV-GOSISDBHSA-N 449.573 2.258 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)CCCN1C(=O)OC(C)(C)C 1537879563 CIQMTYHUDFHCFN-WTUDNYSQSA-N 434.533 2.396 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539065290 DOXPDOHSIZEMKD-LJQANCHMSA-N 438.507 2.134 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1cnc2c(Cl)cnn2c1 1539312417 PSAMSYQWZJKWOC-UHFFFAOYSA-N 433.907 2.080 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1539366540 YPPOLXJVNLQHOH-CEXWTWQISA-N 447.580 2.392 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1csc(C)n1 1539409060 MZIHOOPLWWHTPI-UHFFFAOYSA-N 428.518 2.099 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)Oc3c(C)nn(CCC#N)c3C)CC2=O)cc1OC 1539733318 UHUMNDRPLOGJBX-SFHVURJKSA-N 440.500 2.427 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNS(=O)(=O)CC)CC1 1539882783 XNICCADIYWHVLY-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1540170323 NALQLTHONAQUOE-UHFFFAOYSA-N 438.580 2.403 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)CC1COC(C)(C)OC1 1540864677 IDMUULKIQOVNQJ-UHFFFAOYSA-N 429.521 2.091 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](COCC)C1 1540867030 IHDDYDVYNJBOSW-MRXNPFEDSA-N 427.505 2.229 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1540885164 CRKAVPUYHSUVTH-UQNRQAKVSA-N 444.532 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cccs1 1540896013 DMBMHHFSLFPIEL-OAHLLOKOSA-N 437.591 2.374 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CCO1 1541074665 OKPWIGGAWCPIKJ-IBGZPJMESA-N 440.891 2.453 30 10 IEEE CC(C)COCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541587100 BZMJYMKOAQGNML-HXUWFJFHSA-N 439.564 2.438 30 10 IEEE CN1CCC(N2CC[C@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)CC1 1543234612 AXBYSHZVVGGNEC-SFHVURJKSA-N 446.393 2.042 30 10 IEEE Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1545988183 DRLGDMVGXWDRLY-OXJNMPFZSA-N 441.919 2.270 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccnc(SCC)c2)CCOC1 1547917562 AKGNMTDVIZDEKS-UWJYYQICSA-N 444.561 2.214 30 10 IEEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1555487505 DCSOZEAKNIFQKB-IPMKNSEASA-N 447.536 2.377 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1557998598 OJYLTJAFRNUWQQ-UHFFFAOYSA-N 436.468 2.094 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1 1558216472 KFNJPCPMOWKMPP-UHFFFAOYSA-N 433.917 2.330 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@@H]3CCCC3(F)F)CC2)cc1 1565266098 GLPPXFHCXAFRSO-INIZCTEOSA-N 426.489 2.400 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H]1C 1587990261 UTCIHWWCZAJJDJ-QZTJIDSGSA-N 432.569 2.140 30 10 IEEE COCCn1cc(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(O)nc1=O 1588238152 ZWVKZNMAQKWKRW-UHFFFAOYSA-N 434.452 2.498 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1588612271 CYTACPNXDDAWAR-HXUWFJFHSA-N 432.528 2.494 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCO2)n1 1588723047 JAMBYDXBAGONJY-WOJBJXKFSA-N 428.537 2.181 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(C)COCCO2)CC1 1588871511 GAWSAKTZCXKAQL-QFIPXVFZSA-N 445.951 2.071 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(CCC)C2)CC1 1588914062 UPTCGNLWVLMGTC-LJQANCHMSA-N 435.576 2.038 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)CC1 1594096309 ABNKAAZYGFBZCK-MRXNPFEDSA-N 441.623 2.053 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1594963904 ZJQUHDGLCVAQEI-INIZCTEOSA-N 441.504 2.025 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595506616 HGDAUUWNIAAKAV-GOEBONIOSA-N 449.939 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1595506754 LQPPHSISPGUTPH-CQSZACIVSA-N 446.939 2.001 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595664333 BNNBHIOMJVOMIQ-IEBWSBKVSA-N 432.546 2.366 30 10 IEEE Cc1cc(C)n(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)c(=O)n1 1596612088 SOWGQYXHKXBEHF-CLCOLTQESA-N 445.545 2.092 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@@H]1NC(=O)NC1=O 1596788978 DVOBKJOGDQGDOR-WMZOPIPTSA-N 435.532 2.332 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1598063622 WSEXIJAYULLGRX-FQEVSTJZSA-N 447.547 2.412 30 10 IEEE CCN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1615240028 SZXDDCVNRYDPHG-QQMHEVNUSA-N 428.537 2.467 30 10 IEEE COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1619287921 DGMNTEOMMXOWMH-INIZCTEOSA-N 426.502 2.120 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nccs2)CCO1 1620354339 CAANCXVKPBTRQE-GFCCVEGCSA-N 434.323 2.464 30 10 IEEE N#Cc1cccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1Br 1622505425 MOSRUWLNDFSYKF-CQSZACIVSA-N 444.285 2.375 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(OC(F)F)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1627137370 WWJRNDOBHFHUDV-ZUZCIYMTSA-N 435.246 2.061 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1630219871 DRKBBJFTLCNDHY-KRWDZBQOSA-N 429.583 2.309 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1630219872 DRKBBJFTLCNDHY-QGZVFWFLSA-N 429.583 2.309 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 1638090226 AUDBPZIHQGBJDO-INIZCTEOSA-N 427.509 2.231 30 10 IEEE N#Cc1ccc(CNC(=O)CNC(=O)c2ccccc2I)s1 1643089514 JZHGPJCSXXZYMV-UHFFFAOYSA-N 425.251 2.271 30 10 IEEE C#C[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C1CCOCC1 1645988363 ZSGIIJHEQPEZIU-QZTJIDSGSA-N 431.537 2.398 30 10 IEEE C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCN(c2ccsc2C#N)CC1 1647745366 BEINEYJOLFKSDM-IRXDYDNUSA-N 426.542 2.429 30 10 IEEE CS(=O)(=O)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C(F)(F)F 1647745398 CLKILLOMHSGAMS-TZMCWYRMSA-N 435.493 2.344 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)n(-c2ccc(F)cc2)c1C 1648123148 FRKNACRHBATEOY-TZIWHRDSSA-N 439.491 2.023 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc(Br)s1 1650751759 XDIKIFQVBUWKOL-UHFFFAOYSA-N 443.348 2.041 30 10 IEEE CCS(=O)(=O)N1CCc2cc(C(=O)Cn3c(C(F)(F)F)ccc(C#N)c3=O)ccc21 1652170665 HYXIDRFAGDBYEK-UHFFFAOYSA-N 439.415 2.334 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1656503393 YPIMDXSCHAYJDE-UHFFFAOYSA-N 428.489 2.124 30 10 IEEE C#CC1(O)CN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 1672001476 SBQDXCIFRYDHDJ-LEWJYISDSA-N 430.957 2.318 30 10 IEEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1675700487 ABQAFEAFJKQPHW-AWEZNQCLSA-N 433.559 2.121 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)c1 1682384459 FZSJLYHZPIDKHM-JOCHJYFZSA-N 438.553 2.492 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1683911889 KETBOYQVABRQCK-XMSQKQJNSA-N 432.521 2.259 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1689931522 ABKNWGXPRIAFIW-LJQANCHMSA-N 430.530 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1690026856 OEFDLDQVDCQRHU-UHFFFAOYSA-N 446.555 2.037 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)cc(OC)c2)CC1 1690132854 YSLCUKGZCNERSD-UHFFFAOYSA-N 433.560 2.260 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC 1690160079 WKHUCZVIXLFPKA-LBPRGKRZSA-N 439.383 2.220 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@@H](C)C1 1690246922 XTMJDZMXOVDIGP-AVEIZBFRSA-N 440.635 2.492 30 10 IEEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1690326267 XWEWSFJFIQXRAS-LJQANCHMSA-N 438.557 2.298 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)Nc2ccccc2)CC1 1690396871 OLZZXULJFLBYTP-MRXNPFEDSA-N 446.577 2.320 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1690527957 VFKGMBHPMSRUHT-BXWFABGCSA-N 449.552 2.491 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690676393 YQXPUELDQUMGHT-FXAWDEMLSA-N 425.533 2.471 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1691512818 RDZWCUHPTKIJGP-UHFFFAOYSA-N 432.532 2.491 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC[C@H]2CCOC2)CCO1 1698494459 VYETZKJDLAJZPM-MJGOQNOKSA-N 429.496 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1705477631 QPKOMTJGAZZBMZ-QWRGUYRKSA-N 435.497 2.475 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705567190 VPYLZIXGYZTDGR-MRXNPFEDSA-N 442.932 2.064 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C)COC1 1705580121 DIGJGDGWSRBRTC-UHFFFAOYSA-N 430.512 2.174 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOC2CCCC2)CC1 1705647552 IFIWXUWQRJNPRS-UHFFFAOYSA-N 437.548 2.050 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccn(CC)c1=O 1705678827 QNLNQRVWZQOVOC-SFYKDHMMSA-N 425.533 2.224 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)C1 1705707356 JQAPSDNANMEWGK-HNBVOPMISA-N 431.581 2.456 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1705715982 VULSZJXTYSISDI-SJLPKXTDSA-N 428.512 2.115 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1705740967 CDCQIVKGLFYHLE-LJQANCHMSA-N 443.573 2.241 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1705780586 SHOOXRONVFHNSR-UHFFFAOYSA-N 449.559 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCSC1 1705937325 QJALPCDRBXIBJV-HNNXBMFYSA-N 427.621 2.176 30 10 IEEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1708244842 FGENZLBSLCACFR-HDICACEKSA-N 426.569 2.308 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)[C@@H]1C 1708283311 FIEYWXWLAGLAPY-CVEARBPZSA-N 446.602 2.182 30 10 IEEE CCN(CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1710140853 NBZXOYLGFJOPPX-CQSZACIVSA-N 439.973 2.403 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)F 1711975061 FVNKOLCUHSULRN-UHFFFAOYSA-N 432.475 2.389 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2)CCO1 1712885985 FCKXSSOGEYOJLW-HUUCEWRRSA-N 432.575 2.284 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722362822 OXZAGRMSUWQLIP-QZTJIDSGSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722364257 YNGXPTXKTWJEOL-GCJKJVERSA-N 428.558 2.449 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1722366279 HEQSKZVVYCNRMB-SJLPKXTDSA-N 449.964 2.243 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1722373386 IHJOXNGAGPVMHT-QHCPKHFHSA-N 439.491 2.169 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](OC)C(C)(C)C 1722392398 FOSRQAJZPASPFR-FQEVSTJZSA-N 432.532 2.445 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1722469108 ULRGEYMITOGGBR-DHIUTWEWSA-N 431.581 2.033 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722535761 NBHSSHJOKKKECB-UHFFFAOYSA-N 425.599 2.122 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1722632124 ILBGQEFEPSIOHJ-KRWDZBQOSA-N 431.562 2.229 30 10 IEEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722647931 PALOSMYCPLGOCC-QGZVFWFLSA-N 428.562 2.185 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1722649631 ACSWLMIMZMEHBN-INIZCTEOSA-N 425.459 2.097 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1722678321 YBHZYBJVDIDRIQ-UHFFFAOYSA-N 426.565 2.056 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1722697131 WMKQRUGEQBLZSZ-UHFFFAOYSA-N 434.500 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCCCCC2)nnc1[C@]1(OCC)CCOC1 1722731259 ILCACRMBHHPJBV-FQEVSTJZSA-N 426.583 2.302 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1723854518 RVCRLMOWQKLYPN-GVDBMIGSSA-N 435.573 2.275 30 10 IEEE CCCNC(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1728166389 HUHZHKWMHSSTNL-UHFFFAOYSA-N 444.543 2.368 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2)CC1 1740692295 IFXAFULKLQBYLQ-QHCPKHFHSA-N 427.524 2.261 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1740699290 ANYPOJRCBGOVRL-XMMPIXPASA-N 435.528 2.421 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1740756184 OERXOWJMQCGKIF-XLIONFOSSA-N 429.521 2.123 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN2CCCO)CC1 1740842615 GFFLXDNMPHFKKO-HBMCJLEFSA-N 433.597 2.251 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740887920 GOTDDOSUQHCVEQ-AEFFLSMTSA-N 429.496 2.304 30 10 IEEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1740902756 YEDHDURABCLZON-QURGRASLSA-N 431.500 2.499 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)NC 1740920373 BPVLWWGJKFUMFV-SFHVURJKSA-N 437.541 2.401 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1740947723 BTERIAHMFKBNMF-NRFANRHFSA-N 434.544 2.012 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1741143121 QAWWSFWLAWKOJR-HOTGVXAUSA-N 429.546 2.421 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1741797454 VUIUZKNXNLYWNM-HZPDHXFCSA-N 425.493 2.207 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OC 1748665398 QFSLMDIVKIIIJN-OAHLLOKOSA-N 439.545 2.148 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1748811498 HZGSRDALOMOJCT-INIZCTEOSA-N 433.603 2.417 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)OC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 1748817617 NEBHYCSAAIMYFH-MRXNPFEDSA-N 430.530 2.023 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748819069 JWERYFUEPSIPIM-OAQYLSRUSA-N 435.553 2.247 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1748824955 UTVOZWHNVHGQAA-SJORKVTESA-N 436.603 2.382 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1748875170 LTOBTNNJYXKBGV-FHWLQOOXSA-N 445.564 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)N(C)C 1748949736 ALFONVFZZIPATA-QGZVFWFLSA-N 435.370 2.462 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749232553 OSSBGVVCZFCCBI-IBGZPJMESA-N 443.577 2.328 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749282323 XKCXJKBUSQXIMQ-WIYYLYMNSA-N 439.988 2.230 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)CC1 1749342988 URRIPUYRZZZKSB-INIZCTEOSA-N 449.602 2.074 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749368356 SBVIVRVJOUFZIU-ROUUACIJSA-N 429.500 2.097 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749683507 VXJVWLPSXOHLDR-IAGOWNOFSA-N 448.568 2.125 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(F)cc(F)c(F)c1F 1750005321 ATOIMPGOMFIZLN-VXGBXAGGSA-N 443.401 2.336 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@H](C(F)(F)F)O1 1752321346 NFSMZOQSCYZJQT-YOEHRIQHSA-N 439.438 2.372 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760162026 WCFBVJMXRDWCKS-PCCBWWKXSA-N 442.608 2.360 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)[C@H](C)CC 1760165379 QEOZBDMJLIVCKU-QVKFZJNVSA-N 432.594 2.413 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCC1 1760174354 FWEKXSSCPCJWIA-KRWDZBQOSA-N 432.569 2.140 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc(COC(C)(C)C)on1 1760247449 BJQSFPPYUSNGLV-UHFFFAOYSA-N 427.509 2.116 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CCC[C@H](O)C2)n1 1760252576 PVITZBZHWKRFRH-CTNGQTDRSA-N 449.559 2.374 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1760321663 IUWDUTNHAFRLNC-HZMVEIRTSA-N 426.608 2.103 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCCS(C)(=O)=O 1760324950 NEKNPWWWJAEABB-ICSRJNTNSA-N 433.578 2.116 30 10 IEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760346503 GHORHZANFSEOLN-LJQANCHMSA-N 444.486 2.490 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1760412871 TWDALUOFVDPQFO-OAHLLOKOSA-N 425.599 2.133 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760427780 IILCWMMFBZGZNF-RBUKOAKNSA-N 449.621 2.279 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760524310 UWKPVQRSFHNFDA-APWZRJJASA-N 447.486 2.330 30 10 IEEE C=CCSCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1760568798 SWKFAPSLTZTXSJ-IOMROCGXSA-N 438.594 2.234 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1767087670 DSRSOVVXSDLQSS-HSZRJFAPSA-N 447.499 2.239 30 10 IEEE COCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1769655586 NDXOXRJPBREBSH-HXUWFJFHSA-N 449.556 2.415 30 10 IEEE COCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770712566 UQMOBYVMMBBXAD-LJQANCHMSA-N 439.564 2.438 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1(C)C 1771112044 DVEBYFABUZIIEX-JKSUJKDBSA-N 441.623 2.078 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1771442369 MMOGYKGJAZSVST-UDJKBAMHSA-N 439.545 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC1(S(C)(=O)=O)CC1 1772516685 XJYMBPAJLDHEIW-UHFFFAOYSA-N 430.505 2.036 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc(C#N)nc4)CC3)CC2=O)cc1 1851832956 MZFOGOYZSTYFCZ-FQEVSTJZSA-N 445.523 2.488 30 10 IEEE C=CCN1C[C@@H](C(=O)OC[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1852586003 ZINZQWVUMDHQMC-HOTGVXAUSA-N 440.949 2.318 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cnn(-c3ccccn3)c2)cc1 1852958119 KJOGIRYEKIGVRF-NRFANRHFSA-N 433.468 2.076 30 10 IEEE Cn1ccnc(N2CCC[C@H](N(C(=O)CC#N)[C@H]3CCCN(Cc4ccccc4)C3)C2)c1=O 1853487948 NWNCVRWHGAYIPT-VXKWHMMOSA-N 448.571 2.156 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(C)sc2-n2cccc2)C1=O 1854242857 XLYASLXWPQHENF-ROUUACIJSA-N 426.542 2.307 30 10 IEEE COc1ccccc1CC(=O)N1C(=O)C[C@@H](C)N(S(=O)(=O)CC#N)c2ccccc21 1857463327 JUEPDNOSDOWTGD-OAHLLOKOSA-N 427.482 2.249 30 10 IEEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CCN1Cc1ccc(C#N)s1 1857510078 ZICGITSNKOZJCW-HZPDHXFCSA-N 428.558 2.360 30 10 IEEE C=CCNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 1858788005 YJXNRHFOMVVARQ-UHFFFAOYSA-N 429.502 2.446 30 10 IEEE CCCCCCCOc1cn(CCO)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870414644 UHCNPLTVXUULBN-UHFFFAOYSA-N 429.565 2.302 30 10 IEEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870772592 APAYCTVPCAIWRL-UHFFFAOYSA-N 425.529 2.465 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(OC)cc1 1870983401 TYFTUVLBMPAILP-HXUWFJFHSA-N 427.501 2.329 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc(F)c1 1874433741 VZBSLGRMSMQCLD-ODCIPOBUSA-N 433.494 2.123 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1cccc(OC)c1OC 1874469747 VKPMBRLJAKTBCL-FYJGNVAPSA-N 435.550 2.327 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 1890807996 MMBZDSAEKKHXKF-SFHVURJKSA-N 446.500 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891975417 CSVADGDIHITIAI-HIFRSBDPSA-N 437.447 2.363 30 10 IEEE C=CCN(CC(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985011424 NNCSIPDGEBXIAA-HZPDHXFCSA-N 427.542 2.144 30 10 IEEE Cn1c(C(=O)C=Cc2nc3c(c(O)nc(=O)n3C)n2C)nc2cc(C(F)(F)F)ccc21 2053606440 XSUJVEFQIBWWBI-UHFFFAOYSA-N 432.362 2.174 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751778 IGUXPLPJKWTYEM-YDGQEPMXSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)nn1 2132676088 KDGDKKAOIBWEBU-UHFFFAOYSA-N 447.345 2.207 30 10 IEEE CO[C@@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCN(C(=O)OC(C)(C)C)C1 2141668676 VOQHNQKFRSCUCQ-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE Cc1nc(C(=O)NCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243416479 GYKSMDJJSJJQKK-UHFFFAOYSA-N 425.360 2.395 30 10 IEEE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412145 GVEWXTJGKPJRKT-LBPRGKRZSA-N 440.375 2.137 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](COC)C[C@@H]1CNC(=O)OC(C)(C)C 2251327012 UAFBFCSXSOTUFF-CHWSQXEVSA-N 427.361 2.086 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255595692 JXXGWMDVVAOTMN-OKILXGFUSA-N 434.346 2.132 30 10 IEEE Cc1cnc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255613241 XUZWYKOIDFTXRG-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255651540 XYMYMLWERIRIJP-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2255695420 DTANZTJACYMSPO-CQSZACIVSA-N 433.314 2.052 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255698848 SIKASMWCPVXBPP-QGZVFWFLSA-N 431.342 2.462 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255811803 DANHKBVBURQNGV-DGCLKSJQSA-N 430.232 2.250 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255823685 XQGJIONEDMVCSM-CVEARBPZSA-N 432.326 2.390 30 10 IEEE Cc1cnc(C(=O)NCCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255861342 MTQBOQUXVIAFOQ-UHFFFAOYSA-N 435.330 2.265 30 10 IEEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255880202 AZVPXNPIBBTTIJ-ZDUSSCGKSA-N 434.346 2.197 30 10 IEEE COC(=O)[C@H](CC(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256595611 NXEFQBVMVOIUSL-CABCVRRESA-N 438.330 2.279 30 10 IEEE COCCN(CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2256612101 BTWIDTVULPFFNU-UHFFFAOYSA-N 435.330 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCOC1 2256618989 USUWEBZLWQQTAQ-OAQYLSRUSA-N 433.314 2.003 30 10 IEEE CN(C)C[C@@H](COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2256926388 BBCDPMJBEBVJRM-HNNXBMFYSA-N 439.337 2.354 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)OCC12CC2 2258959155 NDAFCJKWECGCIV-INIZCTEOSA-N 434.342 2.296 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177179 KJVXWQUNOFUXMA-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE C=CCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2267542040 LWMYHYNENQMRQM-UHFFFAOYSA-N 446.357 2.015 30 10 IEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267879319 GTUMZPHSTOIBHY-HNNXBMFYSA-N 446.357 2.151 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268608775 UYVPJZGHYFICHQ-GOSISDBHSA-N 448.369 2.484 30 10 IEEE Cc1nc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ncc1B1OC(C)(C)C(C)(C)O1 2268651797 YQXOGHLSSXDNHI-UHFFFAOYSA-N 447.345 2.169 30 10 IEEE Cc1c(Br)cc(S(=O)(=O)NCCC#CBr)cc1C(=O)O 2287029567 UJGQFVCTSCOXCY-UHFFFAOYSA-N 425.098 2.480 30 10 IEEE CC(C)(C)OC(=O)N1CC(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(=O)O)C1 2322302682 MCOPURIUAXNVLP-UHFFFAOYSA-N 437.277 2.006 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 2337195117 UPKQUDPNJVHCJU-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2337198743 NHAIGZGQGVNPPS-CABCVRRESA-N 448.373 2.237 30 10 IEEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2352395676 FCYODJKFJJKQLN-HNNXBMFYSA-N 448.373 2.237 30 10 IEEE COc1cc(/C=N/Nc2nnc(SCC(=O)c3ccccc3)n2N)cc(OC)c1OC 20827158 QNWCZBGNJCAMKT-SSDVNMTOSA-N 442.501 2.439 30 10 IEEE COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3C#N)C[C@H]12 35894749 JYTRELRCKFLHPT-NFBKMPQASA-N 449.511 2.487 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@H]1CCCO1 461369996 FEPKYIAXGFJQOY-QFBILLFUSA-N 440.565 2.353 30 10 IEEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](COC)Cc1ccccc1 482507078 IALMXZDGRQLVSQ-XLIONFOSSA-N 429.542 2.331 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)nnc12 488985129 QGSDTGAFDREJIJ-ZDUSSCGKSA-N 437.529 2.101 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)C2=O)cc1 489254848 NMYJKTCWFWOLJH-UXHICEINSA-N 436.537 2.071 30 10 IEEE N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCS(=O)(=O)c3ccccc3)n2)c1 501450224 GLCHOBYNXYUCIM-UHFFFAOYSA-N 440.506 2.210 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CSc2nnnn2-c2ccccc2)CC1 502898533 ICGDEHPQGSSFDE-INIZCTEOSA-N 425.543 2.225 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c(OC)c1 503021902 SHXLWBZBUKIWOD-QHCPKHFHSA-N 445.516 2.250 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 504897878 NCAANCRZNZADFL-INIZCTEOSA-N 426.904 2.444 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C)CC1 508170261 BKULPJOUMBYVNM-UHFFFAOYSA-N 426.565 2.331 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 508951872 OFWZUMWDKZXKGC-QFBILLFUSA-N 445.951 2.485 30 10 IEEE N#Cc1c(CCCNC(=O)c2cc(-n3ccnc3)ccn2)nn(-c2ccc(F)cc2)c1N 536653415 UTKCTDCHSDPIJR-UHFFFAOYSA-N 430.447 2.409 30 10 IEEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 550007464 QRRXDYPUVFTASS-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 557459922 QGERPAKFFVIFNC-MAUKXSAKSA-N 429.498 2.110 30 10 IEEE O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 578250043 NWJAIPGANPKAHX-DENIHFKCSA-N 433.508 2.104 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 583112042 JLKJBRRIOUDIOY-ZWKOTPCHSA-N 435.525 2.278 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 611360848 GSNNUPHZUGBQLX-QHCPKHFHSA-N 433.556 2.431 30 10 IEEE COc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC1CCCC1 732461139 AGEBSVXFINTLCE-QZQOTICOSA-N 428.489 2.342 30 10 IEEE C=CCOc1ccccc1CN(C(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCO2 734991833 GZEDDBZPCIXTAG-UHFFFAOYSA-N 449.463 2.225 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)c1ccc(C#N)cc1 740237280 TYROKHHCRKXROB-HSALFYBXSA-N 438.436 2.088 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 750173393 BSRJHVYKCDCVBP-KKXDTOCCSA-N 449.454 2.293 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753290701 DYUXTPMFBNVVFJ-OALUTQOASA-N 441.532 2.358 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(=O)[nH]c21 754381037 ZLLQUTQPSATFGL-LXXRFIIISA-N 440.504 2.290 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C[C@@]2(C)CCCO2)C1=O 756070446 PDQDVSUANFKKQZ-LAUBAEHRSA-N 436.553 2.394 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cc2)c1=O 758056442 XOOROXCQLCAIIR-UHFFFAOYSA-N 427.323 2.178 30 10 IEEE CN(C(=O)CSCC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C1CCCCC1 760401118 QXSSYCUOZBZDPE-UHFFFAOYSA-N 429.608 2.431 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2C1 769576800 HTWYKSQVZOLEAP-ZZEZOPTASA-N 426.473 2.194 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 781937430 RFXIEFSWJDKALV-FWSRSQSESA-N 438.406 2.315 30 10 IEEE C#CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 784129111 SPKSBXVIFLPNDR-INIZCTEOSA-N 427.461 2.226 30 10 IEEE COc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)ccc1F 786882995 YXVLFPNMOFTDGT-DYTRJAOYSA-N 441.506 2.448 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(N2CCOCC2)c(F)c1 787061050 ULLDQFMGUBQZIA-QGZVFWFLSA-N 426.404 2.209 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2ccc3cc(I)ccc3n2)CC1 795056731 JGHFQLPCNYYBPE-UHFFFAOYSA-N 447.276 2.441 30 10 IEEE Cc1nn(CCS(C)(=O)=O)c(C)c1COC(=O)c1c(C)oc(-n2cccc2)c1C#N 797856836 NPHYIMMLILYHKJ-UHFFFAOYSA-N 430.486 2.465 30 10 IEEE NS(=O)(=O)c1ccc(C=Nn2c(S)nnc2-c2ccco2)cc1Br 807952511 KATCINDWBIYZOB-UHFFFAOYSA-N 428.293 2.119 30 10 IEEE NS(=O)(=O)c1ccc(C=Nn2c(S)nnc2[C@@H]2CCCCO2)cc1Br 807974643 NVEHUKBJQRDZAD-NSHDSACASA-N 446.352 2.101 30 10 IEEE C#CCN(C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 812435956 BGGDFUOGSMWYIL-KZNAEPCWSA-N 441.594 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NS(=O)(=O)c3ccc(C#N)o3)CC2)CC1 812530363 KQQNDJLVPMTGIX-UHFFFAOYSA-N 438.550 2.293 30 10 IEEE CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)CSc3ccccc32)cc1 917018529 PKFWQCPZRMPBKI-INIZCTEOSA-N 436.493 2.175 30 10 IEEE C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccc(C#N)cc1 917094173 VYNKRTZITMOMSW-OXJNMPFZSA-N 443.525 2.465 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)c1ccc(I)cc1-n1cnnn1 1130108681 YAQKXUYGQRYVHV-UHFFFAOYSA-N 442.220 2.341 30 10 IEEE COC(=O)Cn1ccc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)n1 1143679359 MBXOCGKVXXPDBX-LJQANCHMSA-N 439.472 2.401 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](CCO)CC3)nnc12 1161477991 YVJAWNWECMBROB-INIZCTEOSA-N 441.557 2.333 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(N2CCCOCC2)CC1 1212107757 IDEFCIRBTVQGSA-UHFFFAOYSA-N 428.352 2.196 30 10 IEEE C=CCN(C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)[C@H](Cc1ccccc1)C(=O)OCC 1269213885 ADQUCXIBNZENKV-YLJYHZDGSA-N 437.558 2.158 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286356503 IZWZCYPWQPTUEY-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286358615 YMWAJKKLHLLBMJ-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cc(OC)ccc21 1286376981 QHWXQOFDIHFREC-QZTJIDSGSA-N 428.558 2.378 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCOCC1 1286399418 GPUIJJRCBYYHKI-LJQANCHMSA-N 438.528 2.431 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CC1 1286474746 KJNXXPQQNILISA-SFHVURJKSA-N 428.968 2.074 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286523609 ANLXPUWZPYJIKG-HTAPYJJXSA-N 445.564 2.282 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286633560 YCXGLDLIJOGKQN-SJLPKXTDSA-N 432.956 2.384 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286775357 FCJHIJINIZNBRI-WOJBJXKFSA-N 437.592 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1286820326 JLAMWGMPFPKCRG-PMACEKPBSA-N 430.574 2.452 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1288997938 VUIRIHYXEZQOJX-HZPDHXFCSA-N 448.449 2.499 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1291297334 XXLVSSDKEWBXEJ-IIAWOOMASA-N 449.353 2.447 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1295354939 JMJHLZBCWVCPDQ-UHFFFAOYSA-N 448.531 2.361 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccccc1OC 1297274905 HLFSEYDQAKPDOP-UHFFFAOYSA-N 433.516 2.465 30 10 IEEE COc1cc(CN(C)C)ccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1299105200 CYNVQIVYOVMCHP-UHFFFAOYSA-N 430.530 2.214 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2F)CC1 1300372766 VIGKMYKGTZPMLQ-UHFFFAOYSA-N 425.512 2.065 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@@H]1COCCO1 1300605188 YQUQVUVMFHOMAI-QGZVFWFLSA-N 430.505 2.236 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CO2)C1 1300656262 HSVISDMLRNLFGQ-HKUYNNGSSA-N 426.517 2.422 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NC(C)C)CC1 1300688167 BSHLXICMPZPCRD-QGZVFWFLSA-N 440.617 2.411 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(N(C)C)CCCCC2)CC1 1300732292 LTPVFLGHDBECQZ-HXUWFJFHSA-N 442.608 2.360 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300890956 WPAHBWLMGITXJV-ZJOUEHCJSA-N 445.589 2.259 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNC(C)=O)C1 1301534738 DTCPGDOHMAICNV-FQEVSTJZSA-N 440.548 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2ccc(Cl)nc2C1 1301593781 UKLYIAGSQNWEMW-UHFFFAOYSA-N 425.942 2.027 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1301651113 GVWTWTZRJFIKEZ-UYAOXDASSA-N 449.559 2.036 30 10 IEEE CC(C)c1nnc(N2CCN(c3cccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1302681988 DTQXUNIXKFEUTO-CZIZESTLSA-N 441.561 2.316 30 10 IEEE CC(C)Cc1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302982917 XOUFIQGOVIUWJW-VXPUYCOJSA-N 428.537 2.010 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)C2)nc1 1303900638 VITXLOVGFQSGHI-GOSISDBHSA-N 425.514 2.210 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@@H](C)c1ccc(Br)cc1)c1cc[nH]n1 1304193362 HHZQQZFHPKIOPF-GFCCVEGCSA-N 437.294 2.376 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H](C)S1 1305204530 APYGIUZWIIRREQ-HUUCEWRRSA-N 435.575 2.104 30 10 IEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1313666063 HHJCVQHQNQTNBR-IEBWSBKVSA-N 439.564 2.161 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCOC1 1314080333 CWWGNIHZPNHEMY-PKTZIBPZSA-N 441.532 2.244 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)ncn1 1315062493 NBSFADNGBKZGJM-FGTMMUONSA-N 439.568 2.411 30 10 IEEE COc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 1315518967 FNMXSIJESACHMX-ZACQAIPSSA-N 447.561 2.395 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1315964024 MRGGZQUUQYBYCB-QNLWVQNGSA-N 425.533 2.201 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H]2CCOC2)CCN1C1CC1 1335740058 MITRHSQNFSTCRX-HGHGUNKESA-N 436.516 2.004 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(C(=O)OC(C)(C)C)CCSCC1 1356278207 POKINJMGIYHCEV-HNNXBMFYSA-N 431.562 2.240 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1358906952 YOOGLUDTDOGNDG-OAHLLOKOSA-N 427.505 2.086 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1358917932 GKNATMSASAXVMR-REWPJTCUSA-N 431.581 2.035 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358920351 XQHGMKOZULTTCV-APWZRJJASA-N 449.552 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359041053 MGAMUBRTPPTYIL-HKUYNNGSSA-N 428.581 2.016 30 10 IEEE C=CCCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1359206708 NKAMCONNVUUFAI-FQEVSTJZSA-N 426.583 2.300 30 10 IEEE CC(C)NC(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1360272315 OOCOZUPJHGIVEB-QFIPXVFZSA-N 432.569 2.363 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cnn(C)c1I 1436412289 GZGIVAAUGOFBAO-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE CC[C@@H](Nc1cccnc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1441013579 TYQWXLUXCWWXIV-QGZVFWFLSA-N 447.948 2.330 30 10 IEEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C(=O)OC 1451183770 WISAQWFORHJEHV-HNNXBMFYSA-N 447.340 2.075 30 10 IEEE C#C[C@H]1CCCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1452477345 QJWHIHGEIARMFW-KRWDZBQOSA-N 426.542 2.028 30 10 IEEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1=O 1453768116 CRHFGWPUAZJSDI-HSZRJFAPSA-N 435.459 2.266 30 10 IEEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)C[C@@H]2COc3ccccc3O2)CC1 1463551507 GSDGCTVQOVAFIM-ABHNRTSZSA-N 429.498 2.403 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1464305312 VFFWWRJPBTZPDD-IYBDPMFKSA-N 442.628 2.093 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1 1464812838 SNYJBHXVPYXZIO-UHFFFAOYSA-N 428.495 2.286 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)n[nH]2)c1C 1466081888 GRQSBHBTOJQPIF-IIBYNOLFSA-N 425.581 2.174 30 10 IEEE C=CCn1cc(CNC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)nn1 1470584234 NBXKMNVMHFYIFC-GXTWGEPZSA-N 432.447 2.309 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)nc1 1471983897 KPNVAXLOVPDZCZ-WOJBJXKFSA-N 432.528 2.372 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)C3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)o1 1472398664 BTNQXEHMEITSGY-HOTGVXAUSA-N 429.521 2.395 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCc1nnc(C)s1 1499300771 UAZUQSNFKIZDSU-QGZVFWFLSA-N 436.545 2.324 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1503273718 KYZROLVWMMOISS-UHFFFAOYSA-N 445.574 2.239 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1504595568 DGSWXJOXUIODIW-GOSISDBHSA-N 426.496 2.250 30 10 IEEE COC[C@@H](F)Cn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504609814 SOKLIZGCJXVJAL-SFHVURJKSA-N 444.559 2.236 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1505081092 CCNXUIHIQIWUAL-QUZFRVLNSA-N 441.532 2.029 30 10 IEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1505123898 JJYORRAZZHEFBJ-SFHVURJKSA-N 426.502 2.257 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCOCC(F)F)c1 1505318705 PFOVWFUXSQNDFB-DLBZAZTESA-N 430.459 2.346 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N1CCOCC1 1507525033 XRFFRYSCNPWRBG-QGZVFWFLSA-N 441.532 2.058 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1507539865 CWOYYAAZZQKVAS-PXFSWQRTSA-N 443.511 2.335 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC(F)F 1507601011 MSLAMRSHHOBIHC-LLVKDONJSA-N 447.895 2.261 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1507651324 LZQSVDIODNSBIH-IBGZPJMESA-N 449.452 2.344 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1507732802 XTODTHUEISHFKI-OAQYLSRUSA-N 436.560 2.073 30 10 IEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC 1507781488 AHAUZAHDKPVRQY-UHFFFAOYSA-N 433.310 2.183 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@H]1CC 1507940009 VZIRSFUFERCDDU-MRXNPFEDSA-N 445.593 2.228 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507966241 NQLHBAQAMBDYAU-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1SC 1508071748 LVQLZOVLLLDSPP-UHFFFAOYSA-N 428.562 2.175 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(OC)c2)CC1 1508076984 JGFFHMXUTSUQSY-UHFFFAOYSA-N 436.516 2.484 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOC1CCCCCC1 1508410659 FXJRBCJBCHNQTR-CVEARBPZSA-N 426.587 2.224 30 10 IEEE CCN(CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N)C(=O)OC(C)(C)C 1515711701 ICVHFLPBSDTQDU-MRXNPFEDSA-N 433.557 2.367 30 10 IEEE C#CCCOc1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1537556182 CBLLBRMWGODYRC-FQEVSTJZSA-N 435.528 2.114 30 10 IEEE C#CCCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539140782 QWCQCTOXLHWDAM-ZJSXRUAMSA-N 445.608 2.281 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1539196188 FNUBHZRBABWALM-MRCUWXFGSA-N 436.541 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnc(C)s1 1539258186 SQVSROLCPGLFEV-UHFFFAOYSA-N 439.570 2.124 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1539304700 DYULGGJTWJRMDE-FQEVSTJZSA-N 429.318 2.322 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1539467532 UCSWHEAAYBWSJP-QHCPKHFHSA-N 427.549 2.485 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539526162 KUNIFGGAZIAXFK-GOSISDBHSA-N 434.587 2.155 30 10 IEEE C=C(Br)Cn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@]1(OC(C)C)CCOC1 1539608860 FTVSRXIEIGXUQC-UGSOOPFHSA-N 444.374 2.046 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1539926316 LXGIIEVIMXCJEP-UHFFFAOYSA-N 443.596 2.387 30 10 IEEE C=CC(=O)N1CCC(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)(c2ccccc2)CC1 1540000649 FPPMKSZJPJKAGK-UHFFFAOYSA-N 429.524 2.348 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540036657 QPOPBZHDBJREAY-VXKWHMMOSA-N 446.640 2.370 30 10 IEEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1540194213 YERMHWFMBTYPJV-UHFFFAOYSA-N 426.535 2.057 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(Cn2cccn2)CC1 1540872281 JBGDGITXZXVDEZ-UHFFFAOYSA-N 437.523 2.423 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C)cc2)CC1 1540872835 BTZBNPYXILERCK-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540913244 QJYHSBLZRQUCCG-GOSISDBHSA-N 448.618 2.264 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)N1CCOCC1 1541959781 FSAZFBOZIUJQTG-HOTGVXAUSA-N 430.484 2.154 30 10 IEEE CCc1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)s1 1546349160 AGKYGCPYZLHGIW-UHFFFAOYSA-N 430.559 2.365 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547409901 ZZDWVMZPULHPBT-UHFFFAOYSA-N 448.531 2.457 30 10 IEEE N#C[C@]1(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCc2ccccc2C1 1556243256 NGTAAUYLCIRLAI-IBGZPJMESA-N 448.342 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1557978832 ZIYCODMVEPNZTM-VGSWGCGISA-N 432.496 2.106 30 10 IEEE CNC(=O)N[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1560141673 BRBPGZYPFUZYQA-LJQANCHMSA-N 440.523 2.496 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@@H](CCC)C(=O)OCC 1561922037 AGUSIONTZDXYOW-KRWDZBQOSA-N 430.567 2.383 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)CCC1 1565167247 QPGHDLBCJPVBQH-UHFFFAOYSA-N 447.605 2.467 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1583229204 AVAZJDNHNNAUDZ-GOSISDBHSA-N 435.546 2.167 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3n[nH]cc3C(=O)OCC)C2)c1 1585983394 QMUYRQANVCADJL-INIZCTEOSA-N 429.498 2.013 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1587562143 LSWVDAQXMZDVGI-HUUCEWRRSA-N 439.969 2.421 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1587640208 QCLCMDUANBRTHQ-JYJNAYRXSA-N 425.505 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1588250809 IWYOKOOOOWUZAH-UHFFFAOYSA-N 445.527 2.090 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1589151019 PSTATFMWXHUSBF-IIBYNOLFSA-N 431.562 2.327 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1589151191 UDJVWPOSKAFWSQ-JKIFEVAISA-N 427.521 2.316 30 10 IEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1593629905 BUSNLDURHWBWBI-KRWDZBQOSA-N 445.568 2.183 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCCC)CC1 1594003548 DBXXXVKSVGMVIN-IRXDYDNUSA-N 425.961 2.497 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1595162129 WYFQLUWPNOYVGZ-IERDGZPVSA-N 431.562 2.195 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595555866 JVIMKYYKWUQYPW-NTKDMRAZSA-N 439.560 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCN(c3nccs3)CC2)nnc1C(C)(C)C 1595831444 QMTJIEMUANAAGU-UHFFFAOYSA-N 438.623 2.350 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1595895930 RMGVRVWULAZBMW-UHFFFAOYSA-N 435.623 2.405 30 10 IEEE CC(C)(C)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)on1 1597174624 DQMSAAKHVZQXJM-UHFFFAOYSA-N 449.515 2.389 30 10 IEEE Cn1nc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1OC(F)F 1611206051 MEKMIEWURYRDDA-SVRRBLITSA-N 438.275 2.236 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(SC)CCOCC1 1614023619 CSSTZZYAGODOBT-UHFFFAOYSA-N 427.578 2.346 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1616345885 CRABDRVZEDTWIS-ZBJSNUHESA-N 446.442 2.330 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H]([C@H]2CCCO2)C1 1617304793 ALBZKCAZGDVGEB-MISYRCLQSA-N 448.541 2.337 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)C1 1618634059 AINHZMPZLWKLCE-FZEVHQGJSA-N 442.589 2.326 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N(CC)CC)cc1 1623510143 XOZMFWXAGFLQQU-GOSISDBHSA-N 435.546 2.071 30 10 IEEE C=C(C)C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1625184309 ORHMNMYDVAPYHY-MRXNPFEDSA-N 425.503 2.026 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(Cn3cccn3)c2)s1 1625327942 KRHGZPXJZJMFNI-UHFFFAOYSA-N 430.555 2.316 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 1627937515 ADIVYECEIQEBIE-QHCPKHFHSA-N 447.532 2.186 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccc(OC)c1F 1629642581 IYPGKWJWAJUUSL-AWEZNQCLSA-N 434.493 2.143 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1cccc(Br)c1 1630699034 QMBHICJEPBFIEN-CQSZACIVSA-N 426.267 2.248 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 1634387484 YQXUMNJTTKJYFG-UHFFFAOYSA-N 427.501 2.040 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)c2cncc(Br)c2)c1 1635480946 AZHXERKSOGMDEB-UHFFFAOYSA-N 435.299 2.254 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 1637567464 KQYOGQUFHDEBGQ-GOSISDBHSA-N 429.521 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1640439441 KWSRZKYZPAXQMD-UHFFFAOYSA-N 434.562 2.420 30 10 IEEE C#CCOc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 1642702643 QPVQNMLQBHYXQA-UHFFFAOYSA-N 444.513 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNc2c(C#N)nnc3ccccc23)C1 1643164160 UYNIBBCAJHZFOO-AWEZNQCLSA-N 431.518 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCC[C@H](CC#N)C2)C1 1645301325 UMTJXYLGAUXQDM-ZHRRBRCNSA-N 437.537 2.486 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cn1ccnc1)c1ccccc1 1650958367 JUXXRZLMKXIJSO-LJQANCHMSA-N 437.525 2.260 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 1658961857 CCJIPTSJVPUFEF-GDLZYMKVSA-N 429.445 2.468 30 10 IEEE CCN(CC)C(=O)CN1CCC(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 1670065193 DGAYVOTXNJAXPF-UHFFFAOYSA-N 446.495 2.188 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1 1671750796 DHEHIYGRNCWIKG-UHFFFAOYSA-N 435.571 2.500 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)n1 1672786857 BCMHSFDRVKUDHY-AABGKKOBSA-N 428.537 2.068 30 10 IEEE Cc1ccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c(O[C@@H](C)CC(C)C)c1 1680338711 ACGFGUDHLLMSTR-INIZCTEOSA-N 427.505 2.442 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)nn1 1683483318 UTCDFWWPYAHHIP-HKUYNNGSSA-N 448.568 2.458 30 10 IEEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)O1 1686181694 SSNJKPKIRXJXIF-BFIYSBSQSA-N 444.532 2.248 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1689929931 HNBTVJZZDDVAMP-HNNXBMFYSA-N 436.969 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCSC2)CC1 1690137847 KJPPCRONURZYGZ-ZWKOTPCHSA-N 449.621 2.111 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690175423 XEMMIMLXIIYQMC-GOSISDBHSA-N 443.548 2.136 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690316182 ZLTNSAJXSJBNBV-OAQYLSRUSA-N 426.565 2.015 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690659453 TWFQAARRGYRTIF-INIZCTEOSA-N 425.512 2.431 30 10 IEEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1694904120 HUMPBSAZXFFZLN-KRWDZBQOSA-N 438.532 2.247 30 10 IEEE COCCCN(c1nnc(C(C)(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1697991134 ZUWXGZBQCAFHGA-OAHLLOKOSA-N 435.550 2.119 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC(C)(C)C1 1698136558 ONXNHEAUDBVLDS-GOSISDBHSA-N 434.585 2.243 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)COC)CC1 1705514381 UGTZOYBSZSYJCB-UHFFFAOYSA-N 447.543 2.229 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](C)C1 1705534397 HHXYWMJEGGWJME-WIYYLYMNSA-N 425.533 2.361 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(C)COCCO1 1705630395 RUYOHDABOJGZNW-QHCPKHFHSA-N 428.533 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(CC)c2)CC1 1705646207 AZIKVSRSWHWHMV-UHFFFAOYSA-N 447.543 2.184 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1705688148 NUAWVWANCCJGQO-HNNXBMFYSA-N 434.342 2.197 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H]1CC 1705939165 SSADDABRTIOROM-FJIDUMEYSA-N 426.583 2.228 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1706074758 DDCKDLSSYYQEJK-OALUTQOASA-N 436.626 2.432 30 10 IEEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1707795421 GEJJRXSWGVCWKZ-UHFFFAOYSA-N 443.515 2.440 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1711355438 BPZCQVDDCPVJJQ-GOSISDBHSA-N 438.532 2.118 30 10 IEEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(C#N)C1 1712171659 NMHNKGJYXMRPEF-FOIQADDNSA-N 449.556 2.353 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722305816 CYRBGWVHMGAVSQ-KDURUIRLSA-N 439.564 2.274 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722341641 LDRLULRYYAWIHT-INIZCTEOSA-N 441.536 2.498 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1722365999 GURDEIFWYXVEKV-MOPGFXCFSA-N 428.558 2.107 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CS(C)(=O)=O)CC1 1722409746 GLFVJYJQBKXYPU-UHFFFAOYSA-N 438.557 2.415 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1722451189 GODCEIOYAWTZOI-GFCCVEGCSA-N 439.529 2.033 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1722627712 MZFOONXUCNIHLZ-GOSISDBHSA-N 444.511 2.404 30 10 IEEE Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1724544963 LUFSEYSECDJTBO-UHFFFAOYSA-N 429.502 2.159 30 10 IEEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CC1 1729316169 DGYVWEJPLOTMIE-HXUWFJFHSA-N 442.589 2.170 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1729706464 BRGIHAUYNIVCMS-INIZCTEOSA-N 449.481 2.273 30 10 IEEE COc1ccccc1Cc1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(C#N)o1 1730297357 JOIQFSVISKWRDB-INIZCTEOSA-N 434.500 2.447 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1740592035 YQMRICGMQMJFQK-SJLPKXTDSA-N 431.562 2.430 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CC=CCC1 1740683867 QESAXQKYNOIMKZ-UHFFFAOYSA-N 431.544 2.479 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1Cc1ccc(C)n(C)c1=O 1740688572 RRRVVEIQFPDLGP-UHFFFAOYSA-N 439.491 2.138 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1740698989 RVYZXOTWRFATTE-NRFANRHFSA-N 438.624 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](CC)N2CCCC2)CC1 1740704901 VUZRZPNEDQQWGN-HXUWFJFHSA-N 437.592 2.124 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740720650 HMMYARAJHAEJRP-UHFFFAOYSA-N 436.541 2.186 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1740726072 XQQRZEVCIITCTO-ORAYPTAESA-N 434.591 2.263 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCOC1 1740787443 IDMDQMMTICSVFN-QGZVFWFLSA-N 448.593 2.364 30 10 IEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740852412 NBODXXBOMUDTEB-QGZVFWFLSA-N 425.599 2.421 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740961235 PVWHVMWWNSCWQJ-UHFFFAOYSA-N 441.536 2.404 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1740961349 UJEWCJOVEHANPH-UHFFFAOYSA-N 437.466 2.373 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCC(N)=O)c2)C1 1740976614 LUEPMCCMJIHSLJ-FQEVSTJZSA-N 434.500 2.034 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)[C@@H](C)C1 1740988514 HKMGKHQJSTUUIZ-HOTGVXAUSA-N 432.546 2.409 30 10 IEEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(C)=O)CC2)CC1 1741021511 IEIIROJMQJWRGH-UHFFFAOYSA-N 449.559 2.134 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741491505 CLHMKCOJMQOSIS-NMQZXRHPSA-N 428.537 2.181 30 10 IEEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1)C(F)(F)F 1741894429 CPEAHBISGURIHO-AWEZNQCLSA-N 445.453 2.066 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2ccccc2F)n1 1742678041 CUGGIDSETWKTIY-HNNXBMFYSA-N 438.511 2.305 30 10 IEEE CCn1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)c1=O 1746357245 IAYXNVVULAUMTG-UHFFFAOYSA-N 446.515 2.285 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1748551807 AENHEAZXMGGPOI-DOMZBBRYSA-N 445.911 2.191 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNS(=O)(=O)CC 1748639979 ORMIWWDVUFFEHH-FUHWJXTLSA-N 433.578 2.432 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccc1F 1748847490 UIHWZTTWNVOGOO-QGZVFWFLSA-N 428.533 2.370 30 10 IEEE COc1ccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1748850299 KGQNIQWZQGXDEB-UWVAXJGDSA-N 427.505 2.377 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1749144288 WMUJZBAFFMMEOI-KRWDZBQOSA-N 426.631 2.413 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SC)C1 1749213156 GFACSZWXPWHTCT-CVEARBPZSA-N 431.628 2.203 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749239466 KQFLUNNRVRMPBJ-QGZVFWFLSA-N 431.468 2.230 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1749634872 LQHQKXODUSDBGE-TZIWHRDSSA-N 437.592 2.267 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 1760144088 CKZMWMOUGUPYJB-UHFFFAOYSA-N 431.504 2.210 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)C2CC2)CC1 1760263672 KRMDXPMTWZIGFT-UHFFFAOYSA-N 438.601 2.160 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCNC(=O)C(C)C 1760325739 SFCOHRGVHWHFHX-PZJWPPBQSA-N 443.596 2.329 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760353503 UNIJLZYCBYATFC-HXUWFJFHSA-N 425.533 2.365 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)CC1 1760403952 MQHXOXFCRHBLLZ-UHFFFAOYSA-N 427.578 2.377 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1760441059 XLJGLHLHAVFBEY-MRXNPFEDSA-N 436.557 2.125 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccc(C)s3)CC2)nnc1C(C)(C)C 1760528420 BNELSBXUKIDRRW-UHFFFAOYSA-N 430.578 2.210 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)OC)C1 1760539668 SHOMMWWKWYGTRL-WMZOPIPTSA-N 449.577 2.012 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)C1 1760543450 PEFYBACJGYQKSQ-IEBWSBKVSA-N 432.546 2.018 30 10 IEEE CC(C)(C)[C@@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1760716707 VXKLYBLSZZPJII-YCRPNKLZSA-N 447.561 2.335 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1762611866 RXZLBDXNPSCRSX-OAHLLOKOSA-N 426.525 2.093 30 10 IEEE CCOC1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)OC)(N2CCOCC2)C1 1766123346 WNYTYIMHDQFYBE-UHFFFAOYSA-N 426.521 2.084 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1768980538 HPKRCRBXSIREKL-GJZGRUSLSA-N 435.431 2.019 30 10 IEEE COCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769180646 CSWSDPZYKYAPJH-MRXNPFEDSA-N 435.536 2.323 30 10 IEEE COC[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1769210816 DHUVOYOQCKXKJN-OAHLLOKOSA-N 431.566 2.261 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@@H]1NC(=O)CC1(C)C 1769843385 IRZOYKBPHAINQG-SFHVURJKSA-N 426.521 2.235 30 10 IEEE COCCOCCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770146497 FZZKROKCUXIKJR-UHFFFAOYSA-N 425.537 2.192 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1770160652 YEFPGIXATDBUCA-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE COC[C@H](Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1770782915 QSIBHLSVIIVSOA-NXOAAHMSSA-N 436.557 2.306 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1772566944 PEAKLWTXGUXSQL-LJQANCHMSA-N 425.533 2.310 30 10 IEEE CC(=O)N1CCN(CC(=O)Nc2c(C#N)c(-c3ccc(F)cc3)nn2C(C)(C)C)CC1 1851192304 QZGNLMDQFGHCQR-UHFFFAOYSA-N 426.496 2.418 30 10 IEEE N#Cc1ccccc1OCC(=O)OCC[C@@H](c1ccccc1F)N1CCS(=O)(=O)CC1 1851605957 RHLPMIDVUJQDFU-FQEVSTJZSA-N 446.500 2.481 30 10 IEEE Cc1nn([C@@H](C)C(=O)N2CCO[C@@H](C#N)C2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 1852645797 BOTOFSIHPZYTCT-JTSKRJEESA-N 447.495 2.233 30 10 IEEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)C(=O)C12CCCC2 1853683485 FVXMCXPPYREFRV-KRWDZBQOSA-N 430.574 2.457 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C(=O)C2)cc1 1854037017 HDNLHXPVJHRBRK-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)CCCS(=O)(=O)c3ccccc3)C2)CC1 1856147790 VMDKPYBXMJWXFW-IBGZPJMESA-N 431.558 2.241 30 10 IEEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)COc2ccc(F)cc2)C1=O 1857049134 HUXQSZMSANKKKV-CQSZACIVSA-N 431.445 2.074 30 10 IEEE COc1ccc(CC(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)cc1 1857084377 HRNAMSZJOJKKTG-HNNXBMFYSA-N 427.482 2.107 30 10 IEEE Cc1ccc(C(=O)N2CC[C@H](C(=O)Nc3ccc(C#N)cc3)C2)cc1S(=O)(=O)N(C)C 1858374841 QBJSIDBAWIHDJS-SFHVURJKSA-N 440.525 2.218 30 10 IEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)NCCC(=O)O)sc2c1CCC2 1858788700 LCYIQOVCCOFLSV-UHFFFAOYSA-N 429.458 2.117 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 1861302877 FLJCBKVVDMKUSS-QFIPXVFZSA-N 449.482 2.385 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)c1ccccc1 1861516665 MRKKPLHNYVIVDI-FQEVSTJZSA-N 435.480 2.092 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1862754778 RSSIMQUILACCLF-QGZVFWFLSA-N 427.369 2.464 30 10 IEEE C[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccccc1C#N 1866623448 UAOWFGHEMOWRFZ-HNNXBMFYSA-N 426.498 2.245 30 10 IEEE C#CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CN2CC(O)C2)cc1=O 1870563574 HEUWEEGVEDUNRO-UHFFFAOYSA-N 426.513 2.077 30 10 IEEE C=CCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N2CCN(C(C)=O)CC2)n1 1871567030 ISCPMIPZPVLJRM-UHFFFAOYSA-N 446.353 2.374 30 10 IEEE CCOC(=O)c1ccc(CN2CC(=O)C(c3nc(CC)c(C(=O)OC)s3)=C2N)cc1 1872725715 WGXBCROCJACHFY-UHFFFAOYSA-N 429.498 2.381 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1908260911 BBNMPOJHSUQXFR-HSALFYBXSA-N 428.533 2.153 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2006267534 SQQRMCXEUDNPEZ-LBPRGKRZSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2060621822 RWMHQHDGPGAKQT-UHFFFAOYSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2063391938 BHEJHKFSJRIJTA-JEZSTIGHSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2085301299 IBCCXQYXEPAWPA-LSDHHAIUSA-N 439.362 2.230 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2124516353 RHENYDDQVMAXGJ-RCDICMHDSA-N 444.341 2.361 30 10 IEEE CC(C)N(CCS(C)(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172776357 OKQFDWKOCLTDOV-UHFFFAOYSA-N 447.204 2.403 30 10 IEEE C#C[C@@]1(C)COCCN1C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2215641629 GIBQCAWVMLUURQ-MBSDFSHPSA-N 430.501 2.264 30 10 IEEE C[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243412330 KULCIEVNTHLMMH-LBPRGKRZSA-N 446.400 2.239 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CCOC[C@H]1OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247904263 NPLCLMDUOWJJPK-RBUKOAKNSA-N 437.367 2.468 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247922390 HEHIDYDSKDJIIH-CQSZACIVSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248394979 FLGFZQPMRYFEKN-UHFFFAOYSA-N 441.359 2.293 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(C)(C)CNC(=O)OC(C)(C)C 2255647733 CTLQKVLITNMQAO-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255827163 VTWNKYSXHZXVCN-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827914 OPVTZGLICPIUMU-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2256615589 VJCWUKWLEMBQBS-CYBMUJFWSA-N 442.268 2.088 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2256912976 BGKXGPLXWBGGSB-KDOFPFPSSA-N 428.294 2.102 30 10 IEEE CN(CC(C)(C)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2260456401 GSPZINIQWOWBQL-UHFFFAOYSA-N 436.362 2.426 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267184646 NVLVGLKREXTDDC-ZBFHGGJFSA-N 448.373 2.143 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267190997 WDEUZQRRTJCIHT-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267198234 VOLBKQOSNDSOEI-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267282384 BZAVSNRKXMWGLC-GOEBONIOSA-N 448.325 2.039 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267479837 QVOBYWBZMFYGAA-CYBMUJFWSA-N 441.259 2.054 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2268643476 KQCUKTHCXVXMLH-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cccc(Cl)c3Cl)s[nH]2)OC1(C)C 2284127947 BAFKDZJHNLPNPK-UHFFFAOYSA-N 436.151 2.367 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)n1C 2315522996 LIOHJHXOTSHLOE-UHFFFAOYSA-N 432.330 2.192 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2315643424 XZGBDMHMGTZGQZ-XMQYKBBCSA-N 449.382 2.285 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)CO2 2342987801 PCLDCIFAZPTQBJ-QZMQVMSPSA-N 448.369 2.447 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@H](O)[C@H](CNC(=O)OC(C)(C)C)OC 2352340337 YFKKQOVYHYFDKB-IXDOHACOSA-N 427.339 2.289 30 10 IEEE CCN(CC)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)c(O)c1 59039171 AMNFJZMIWTYLTP-QGMBQPNBSA-N 447.550 2.385 30 10 IEEE CCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)s1 59310926 YMPAESJSERWUHS-PJQLUOCWSA-N 438.568 2.069 30 10 IEEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 439913277 LUELISXJJHDHEQ-HXUWFJFHSA-N 434.500 2.225 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)COc2ccccc2Br)ccc1F 443506541 GHOJNYNTXUQXHQ-GFCCVEGCSA-N 429.267 2.178 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 461489999 YQQKIRJPUMIYCM-MRXNPFEDSA-N 425.580 2.123 30 10 IEEE CSc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2=O)cc1 465183605 JJIJAJOLYURYFT-HOTGVXAUSA-N 436.541 2.160 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 469097688 RCQORLLYCQGYGA-UHFFFAOYSA-N 431.493 2.405 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C 469363485 MNCJHSCCCZRSAU-KUHUBIRLSA-N 428.514 2.249 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccc(F)cc3)c2=O)nc1 478747270 NUOKXKOFHDSDBN-INIZCTEOSA-N 449.507 2.240 30 10 IEEE CC(C)CN(C(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)[C@@H]1CCS(=O)(=O)C1 502838753 GGUJPVVONSMBRV-MRXNPFEDSA-N 435.933 2.198 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C 514522664 LJJWNSUQERCLJS-UHFFFAOYSA-N 442.443 2.443 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 523257906 PHAGKIIVTOSNHO-RHSMWYFYSA-N 441.509 2.115 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)nn2)cc1 532037029 UEIRBGKCDYYQRU-OAQYLSRUSA-N 431.500 2.195 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 532592725 GOWWYJBPBBASBA-UHFFFAOYSA-N 433.917 2.296 30 10 IEEE Cc1noc(CN2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)n1 541097085 GZHVJPPUFRRQHO-UHFFFAOYSA-N 426.868 2.439 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C(C)C 570975448 MIMMGIQKALNUHB-SFHVURJKSA-N 437.541 2.351 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2ccnc(O)c2C1 583291242 FAVGXPISZOZCSM-UHFFFAOYSA-N 440.529 2.045 30 10 IEEE CCc1ccc([C@]2(CC)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 584864161 LXCIFLZGRMUHCB-NRFANRHFSA-N 426.498 2.147 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)OC(=O)c3ccc(-n4nnnc4C)cc3)cc21 586271107 IENXFFVUJHLSTK-AWEZNQCLSA-N 447.451 2.310 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603732720 RZVZHJBQTOJUGX-UHFFFAOYSA-N 426.542 2.254 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 605692248 GXDOZSMUPXSHBG-HQIBLOEZSA-N 434.916 2.471 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 609189181 YGVSZOXYUUOWRJ-CRAIPNDOSA-N 431.489 2.434 30 10 IEEE COCCCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 610221155 FLZSOGCJMMABNZ-UHFFFAOYSA-N 443.525 2.120 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)n(CC)c2C)c1=O 728557341 JVLKXSKLZIGHOC-UHFFFAOYSA-N 427.570 2.257 30 10 IEEE C#CCN(C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 729335297 LNOYMUXEIWZXBP-GFCCVEGCSA-N 441.340 2.399 30 10 IEEE C=CCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 747317574 KAALWMFTTYUJTM-UHFFFAOYSA-N 428.470 2.078 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 749790303 BIHUCPPRBKWGDJ-ZWKOTPCHSA-N 436.553 2.250 30 10 IEEE Cc1cccc(CN(Cc2cccc(C)n2)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 751794079 PRZULAPEZZLEQV-DQRAZIAOSA-N 434.500 2.332 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc1 761056234 LVLOEMIXBQEXPN-WOJBJXKFSA-N 431.945 2.427 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 774032538 MZUFVCJPWWWABX-HNNXBMFYSA-N 425.938 2.476 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 776136684 BQHRUJFCEBTEEM-FKEVTRRJSA-N 437.422 2.110 30 10 IEEE C[C@H](CN(Cc1ccccc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 776607073 IWHYDYFTFCOAAY-MRXNPFEDSA-N 443.525 2.255 30 10 IEEE N#CC1(c2ccc(C(=O)OCC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cc2)CC1 777175009 XGHDBABWEAFVHD-UHFFFAOYSA-N 447.491 2.187 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)CC2)cc1 781400069 CCPKWVGGTUVERM-UHFFFAOYSA-N 445.519 2.412 30 10 IEEE COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 786758732 OABSEQYXZMTGSQ-RRGFCBMYSA-N 437.294 2.344 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 789320685 AKCGOCXOQCRICZ-NRFANRHFSA-N 438.528 2.100 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 796490421 NGAKRXFNUGINPE-FPOVZHCZSA-N 441.576 2.337 30 10 IEEE Cc1ccc(CN(CCO)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)o1 797616641 WHCPFOBEVSXQPU-ZBJSNUHESA-N 434.518 2.427 30 10 IEEE Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 797724194 FJJBWICKYWCTKU-KDDVOAFDSA-N 428.489 2.203 30 10 IEEE CCCN(C(=O)[C@H](C)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 803922883 WKHZTNGIKIYIBG-KSSFIOAISA-N 436.505 2.086 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@@H]2C1 809886315 XHXCZLIXFLEWQZ-MSOLQXFVSA-N 432.569 2.447 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@@H]2CCCN2CC(F)(F)F)c1 813074849 NSPFDIQQUMRXBD-LBPRGKRZSA-N 440.241 2.152 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCC(c2ccccc2)=N1 914819429 QUHHSEACXFQVBB-UHFFFAOYSA-N 430.468 2.330 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)c(OC)c1 1084582687 GQLCVPASWHLGHV-UHFFFAOYSA-N 430.494 2.041 30 10 IEEE C#CCN(C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C1CCN(C)CC1 1134043173 GGOWGWCCABLKGX-UHFFFAOYSA-N 430.553 2.020 30 10 IEEE CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1141427652 ZREIRTTXMYEEBU-IBGZPJMESA-N 448.472 2.121 30 10 IEEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1146220772 KWKRWAKMKVPKLC-HKUYNNGSSA-N 430.530 2.043 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1S(=O)(=O)NCC#N 1161640577 IFHCQJUSFPOBPC-JOCHJYFZSA-N 439.493 2.047 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCC)[C@H](O)c1ccncc1 1169736421 RMQVGAJDDSYMSL-HRCADAONSA-N 441.912 2.199 30 10 IEEE Cn1c(=O)c2cc(C(=O)Oc3c(F)cc(C#N)cc3Br)sc2n(C)c1=O 1280410828 WKYXRDWGXGYHHR-UHFFFAOYSA-N 438.234 2.291 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2CCCC2)c1 1286310701 XZKHJUYCHHPNCF-UHFFFAOYSA-N 444.543 2.277 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286498405 HQMLLHDWJZTGBK-UHFFFAOYSA-N 437.591 2.121 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)NC(C)C 1286782593 ZHBUVZOFOINVTH-HNNXBMFYSA-N 444.605 2.394 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN2CCOCC2)C1 1286784856 WDLVIDPPTXUPGU-QGZVFWFLSA-N 444.967 2.059 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286793393 DGCKDJLQGCSKNU-GOSISDBHSA-N 426.521 2.183 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C1 1286923821 AKKBAKBHUNDLEO-QGZVFWFLSA-N 436.545 2.378 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1286967626 FTLPZCNRLSVOCJ-HIFRSBDPSA-N 439.488 2.426 30 10 IEEE CNS(=O)(=O)c1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1 1289997372 PUMASOHAIPTQOM-UHFFFAOYSA-N 449.330 2.304 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)CC2(NC(=O)OC(C)(C)C)COC2)cc(OC)c1OC 1292363004 ZEGXYWVXXHZVMR-CQSZACIVSA-N 435.477 2.077 30 10 IEEE CN(Cc1ccoc1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298420806 YEOWRCFWEWBUBL-VGVBMJIYSA-N 426.477 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1300308542 PSTBDMKLBDNPDX-DOTOQJQBSA-N 430.553 2.129 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1300510912 DFINKFYWLLAWRN-RUZDIDTESA-N 449.555 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1300544752 DQEGWULALZUKQB-UHFFFAOYSA-N 446.555 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1300570003 WJHCFGHUAATSGX-IFMALSPDSA-N 442.527 2.365 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1300706217 JFFPFADVKIZTRT-IAGOWNOFSA-N 438.498 2.449 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1301049050 RPMOBDKCFKYODV-IBGZPJMESA-N 436.495 2.226 30 10 IEEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C)C1CC1 1301323958 XYCFMLZDNVKUCJ-UHFFFAOYSA-N 440.529 2.350 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301499045 WJVMDGFYYBFFNT-SFHVURJKSA-N 426.569 2.363 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1301560416 CHMMBVATOKYJSE-OAQYLSRUSA-N 430.512 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCCO1 1301577842 OOMWKKGPXDDXJC-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301585728 DMTABRGNPQTYGX-IBGZPJMESA-N 446.621 2.414 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1301594490 DUGZRUGUZHEFAR-RDJZCZTQSA-N 443.639 2.060 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1302175220 UNSSVPWPAZMYQY-FQEVSTJZSA-N 442.589 2.107 30 10 IEEE O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252886 ROBVPIHYEASAKF-SZEHBUNVSA-N 446.298 2.392 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1311722218 OSGWXSDGDRPAMR-HDICACEKSA-N 443.544 2.423 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)NC(=O)NC1=O 1318490381 MXJHSPPMPVBHEL-DEOSSOPVSA-N 446.511 2.035 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccnc(NC(=O)C(C)C)c2)c1 1351599619 CXEXJKXWGGXDKP-UHFFFAOYSA-N 434.496 2.163 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCc2nccn2C1 1358971670 DWGJRPYXNGDBGV-SFHVURJKSA-N 430.512 2.494 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNC(C)=O)CC1 1359030457 WLKBPKHXMJMEKU-FQEVSTJZSA-N 438.576 2.316 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](CC)N2CCc3ccccc3C2)CC1 1359041248 QXTJVTGNDRLJBD-HSZRJFAPSA-N 434.588 2.389 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359097021 KFFXQICJEHLWPV-GIVPXCGWSA-N 443.596 2.207 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](COC)C1 1359130087 YAYSPNUZRCWIAV-SFHVURJKSA-N 438.536 2.376 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359216014 NNNCKHJIERKKKM-SFHVURJKSA-N 427.553 2.128 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359297375 OKCIVEWETXESIV-HXUWFJFHSA-N 433.560 2.297 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC(=O)N2)C1 1359314709 GRSQPGOOUQSJJA-HUUCEWRRSA-N 449.353 2.106 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cscn1 1359333650 FSRJVCKCQOEMIC-UHFFFAOYSA-N 438.604 2.328 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1360793302 CTEZSUNRKUNXLE-QFIPXVFZSA-N 435.463 2.132 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(C)(C)Cc3ccc(C#N)cc3)C2=O)cc1 1439498192 INBJLBZUGAKSIJ-DEOSSOPVSA-N 434.496 2.471 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccn(Cc4cccc(OC)n4)c3=O)cc2C1=O 1440142228 SHYVYQLIOKYHQC-UHFFFAOYSA-N 444.447 2.335 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CS(=O)(=O)c1cccc(Br)c1 1452946759 HMDPAWDFPHSBTI-KRWDZBQOSA-N 437.315 2.286 30 10 IEEE Cc1cc(C#N)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1460434911 HPOKFDQTYPZJEC-UHFFFAOYSA-N 442.497 2.072 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C2/SCC(=O)N2C)c1 1464287552 BMUPLKHDLDGIOE-VUSHSRTPSA-N 436.559 2.265 30 10 IEEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@](C)(C(F)F)O1 1470274884 IMXYBMWIQDGPAD-JLTOFOAXSA-N 441.500 2.230 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CC(N)=O)CCCCC1 1470476095 ZDHKHQGWLBUFBI-KRWDZBQOSA-N 448.589 2.082 30 10 IEEE CC(C)(C)[C@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1473828308 ZDTYWWHXSFVOMY-OXQOHEQNSA-N 441.576 2.203 30 10 IEEE CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1474801514 HPHYAWDTSOUBHJ-CQSZACIVSA-N 432.365 2.253 30 10 IEEE COC(=O)c1cc2ccccc2cc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 1474863778 HYDWMVUZXUXNJV-UHFFFAOYSA-N 436.493 2.404 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1504887939 XWBSUCFVVAOKNV-ZHALLVOQSA-N 446.596 2.478 30 10 IEEE COCCOCc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1505037029 ILULDBGORVLAKG-RTWAWAEBSA-N 441.532 2.460 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1505037720 HJCVQAUZTHALFR-LJQANCHMSA-N 435.532 2.396 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2C[C@H](F)C2)c1 1505122786 XTYZXBKOVLVLPY-DJIMGWMZSA-N 433.509 2.216 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCCCCC2)C1 1505317210 DJKYNOFTTDCVEX-JOCHJYFZSA-N 425.512 2.499 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1507543785 RJIHRHHJNRCVRK-GOSISDBHSA-N 425.533 2.214 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N(C)C1CC1 1507711567 XFCWSGBUZSRTHD-UWJYYQICSA-N 425.533 2.359 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507797557 DMYDEJTYMYTDAV-LMMKCTJWSA-N 431.562 2.253 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1507847624 OROKBBNTQJWVNA-INIZCTEOSA-N 444.502 2.066 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(F)cc1)C(C)C 1508071668 LBQDOCZWNHXSCJ-UHFFFAOYSA-N 428.512 2.370 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508161236 YRIBMRHNKNRTLP-OALUTQOASA-N 448.637 2.182 30 10 IEEE CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1516957210 AUBMQUNCHUIASG-UHFFFAOYSA-N 446.515 2.302 30 10 IEEE CNC(=O)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C#N)C1 1517583332 FTCOHLZYUHYYOS-MRXNPFEDSA-N 437.529 2.242 30 10 IEEE COCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519038435 UIWUXLWBENTTNV-UHFFFAOYSA-N 449.563 2.160 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1525354535 KLXIRHRRGUHGOY-UHFFFAOYSA-N 427.526 2.267 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)[C@H]1c1cccnc1 1529752945 FPQXZMIVWWUYHK-NXHRZFHOSA-N 429.274 2.123 30 10 IEEE C#CCC1(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCCCC1 1536230093 RWTPIZIHOOYLDO-UHFFFAOYSA-N 434.558 2.101 30 10 IEEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C1CCN(C)CC1 1538520553 ZQXJKNQSSAUNMN-UHFFFAOYSA-N 445.541 2.135 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1539149373 SLSVHGCWUPJNQX-GFCCVEGCSA-N 445.467 2.033 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(Cl)nc1 1539421685 VQACJRQYKCDGML-UHFFFAOYSA-N 444.948 2.452 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1539541862 NPUZYQJZZYIOHO-PKTZIBPZSA-N 429.565 2.371 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1539621456 ADZDISIFBVTMGT-UWJYYQICSA-N 443.523 2.360 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)N2CCOCC2)CC1 1539897046 ZNXCYLZFXPPDMO-UHFFFAOYSA-N 441.532 2.127 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(OC(F)F)c1 1540862354 ZWNBYCVVOAUFGF-UHFFFAOYSA-N 448.474 2.054 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1540873746 IMUZSEBFKFDEMQ-UHFFFAOYSA-N 437.548 2.323 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1541115664 CRDIZUIQARBEJN-KZNAEPCWSA-N 436.626 2.287 30 10 IEEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1543468718 KHQWUFHGCGFKRP-HNNXBMFYSA-N 448.463 2.140 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CC2)n1 1555118752 CUKXSGKJRSVTQI-UHFFFAOYSA-N 448.531 2.103 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1558457166 ZYXMMYDHXKSGKC-UHFFFAOYSA-N 443.525 2.151 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1559962533 REGLJDUUWRGDNZ-KRWDZBQOSA-N 435.368 2.174 30 10 IEEE COC(=O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)c(O)c1 1567782585 HVHJVTYVQUEJEX-HXUWFJFHSA-N 446.500 2.382 30 10 IEEE Cc1cc(C(=O)NCc2c(I)cnn2C)nn1-c1cccc(C#N)c1 1583134895 OORSXUWTLMNSJD-UHFFFAOYSA-N 446.252 2.321 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1587652108 VDEFZYYJXOZWPG-KRWDZBQOSA-N 428.500 2.359 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1587677676 KKUDQBXBWMKMJV-VVBPWWLESA-N 430.553 2.286 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1587803479 CIKYJDMWMMQMGV-IBGZPJMESA-N 435.532 2.117 30 10 IEEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1587867832 FSMFXXXAOHOMGV-KRWDZBQOSA-N 428.466 2.153 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588049390 GEDBLSNGPYDSSW-LJQANCHMSA-N 437.525 2.024 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC1CCS(=O)(=O)CC1 1588162196 MVTWPQCCEWPRKI-UHFFFAOYSA-N 426.542 2.063 30 10 IEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1588459162 NHRCZZHGHDCKDA-FSTVOOFJSA-N 433.553 2.048 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1588638731 WQQSXBYEXNILNM-QUCCMNQESA-N 427.553 2.008 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1589528218 DLCCSRZPMNUJCG-TZIWHRDSSA-N 430.597 2.175 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)c1ccccc1 1593782345 OANUXJMBAKAXCG-BLMTVLTRSA-N 445.589 2.199 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)c1 1607585766 PKCTZPAMZBWPIO-WAIKUNEKSA-N 440.521 2.294 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CCO1 1620356328 WXKUTWFUSDHDDH-OALUTQOASA-N 431.924 2.447 30 10 IEEE CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1625354304 YFYUGNHKMKXNHS-CEXWTWQISA-N 447.557 2.187 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(Oc2cccnc2)c(F)c1)c1cc[nH]n1 1626555574 OXQYDENYKKRXGQ-UHFFFAOYSA-N 441.419 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1626695079 OHWLVOIJMYBKKZ-FHWLQOOXSA-N 444.507 2.370 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](Cc2ccccc2)c2ccccc2)CC1 1632966184 KFTLXOWXUUBIPU-QFIPXVFZSA-N 425.554 2.015 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(I)cc1O 1636270284 CHBFBRPLHDIGTA-NSHDSACASA-N 449.252 2.009 30 10 IEEE C=CCCSCCNC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1636743343 DPNSITKNQWBNIQ-UHFFFAOYSA-N 437.562 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1637144421 HCBIEURHSZUXDM-QFIPXVFZSA-N 447.557 2.475 30 10 IEEE COc1ccccc1N1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1637353057 AFYQWGLEWSIJPC-UHFFFAOYSA-N 427.526 2.221 30 10 IEEE COc1cc(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc(OC)c1O 1650978346 APUSJWKRDRWVID-UHFFFAOYSA-N 436.262 2.135 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1651220582 CHGSDHPDNLMQFZ-INIZCTEOSA-N 429.473 2.148 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1 1668093634 GGWKMKATDSTYMJ-UHFFFAOYSA-N 433.512 2.474 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)cc1 1683739717 SELZPDBDZTUABG-UHFFFAOYSA-N 428.500 2.223 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)C1 1685050621 KPUSBWGYIXSQRC-OALUTQOASA-N 434.581 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCO[C@@H](C)C1 1690026501 BPQUCHWAJGTRTB-NRFANRHFSA-N 446.555 2.302 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC 1690048992 VNHLSXNYOWMZCO-ZWKOTPCHSA-N 431.537 2.084 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC(=O)NC 1690241393 RTAOQDLGNNNYGE-UZLBHIALSA-N 427.505 2.227 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1690251790 ZICQPCWNLXMRCQ-NQIIRXRSSA-N 443.596 2.472 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1690312749 BWFKRXODLWPWMQ-RBUKOAKNSA-N 438.594 2.168 30 10 IEEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690463148 WTDSLOXIOHRGMA-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1690469584 UQSICJMOVKSPAD-MRXNPFEDSA-N 430.557 2.211 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)nc1 1690622492 QMWOBPFSIWCZCK-LJQANCHMSA-N 439.564 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(F)c1 1690722643 QDWVIEDQQLNHDV-UHFFFAOYSA-N 448.524 2.064 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1691002021 UAPGODOSCWIPBF-ZJUUUORDSA-N 444.849 2.279 30 10 IEEE CC(C)c1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691835688 TXZODSZLEZEMDV-UFVMTTLYSA-N 428.537 2.323 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1692747009 ARSLQXWUGGBHOG-AWEZNQCLSA-N 447.492 2.378 30 10 IEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1695093843 ACJARDOLFPTNIR-LJQANCHMSA-N 446.577 2.104 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695388194 HKUDPUGOJUEOLV-IBGZPJMESA-N 439.612 2.345 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1697188094 WQNFSVCXFVRTAJ-RTBURBONSA-N 442.568 2.041 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)C1 1698298174 LMHQEARPOKHQHH-OAHLLOKOSA-N 432.893 2.130 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CC=CCC1 1698520565 MSTRVCCIOOEZJC-QZQOTICOSA-N 440.454 2.440 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705523753 XTUKXINOKRCJGL-GOSISDBHSA-N 435.532 2.081 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCn1cc(Br)cn1 1705584216 BIGDCQXJDAFPAT-UHFFFAOYSA-N 438.333 2.386 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1705585545 HERXICSAMXJZNF-QHCPKHFHSA-N 446.555 2.158 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705734475 QEYZKXKLAYSBNR-UHFFFAOYSA-N 448.593 2.209 30 10 IEEE C=CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1705858740 UUHCJHPKHYGBIG-UHFFFAOYSA-N 446.573 2.260 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705884432 OUIJEAGRZKISRN-IAGOWNOFSA-N 447.502 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)CC1 1705932945 PEXZBLUDFFXACP-UHFFFAOYSA-N 442.589 2.196 30 10 IEEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nnn(C)n2)cc1Br 1707358536 GDFSITRULUKWLY-KRWDZBQOSA-N 446.288 2.030 30 10 IEEE CCc1nnc(N(C)Cc2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1709034335 DJHDYJLINZGVTK-MRCUWXFGSA-N 440.504 2.021 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1709829163 HNLHYVRZHVOYND-UZUQRXQVSA-N 438.532 2.117 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCOC1 1710893712 QHEUBKSTEMAGSC-SFHVURJKSA-N 446.577 2.009 30 10 IEEE CN(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1711016874 VBZGQOQFLILTFY-CTNGQTDRSA-N 434.548 2.000 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)cn1 1711258733 DMCYELYXNOVGML-UHFFFAOYSA-N 436.520 2.317 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OC(F)F)c1 1722391207 JHGWDACJAISBQG-QFIPXVFZSA-N 445.470 2.438 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC[C@H]2C)CC1 1722579347 OCURRQDNVAMLJE-QGZVFWFLSA-N 444.605 2.393 30 10 IEEE C=CCCCCn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722601809 WKWYLBNIPGCQGN-IKGGRYGDSA-N 439.582 2.069 30 10 IEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1722627549 XUVNWBANVXDLLQ-UHFFFAOYSA-N 437.541 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1722698161 UYGLVYNSCAEJSO-UHFFFAOYSA-N 442.527 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(C(C)(C)C)CC1 1722726098 ZMEKSWBDQAJYKZ-UHFFFAOYSA-N 434.610 2.195 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723257886 XJHLXNOQIRJDAD-SFHVURJKSA-N 447.547 2.246 30 10 IEEE CCCCN(C)CC1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1728036423 QWGXEGAUEHWMKF-MRCUWXFGSA-N 429.569 2.061 30 10 IEEE CN(C)CCCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1729335275 JWWCIXZYTGPMRU-NRFANRHFSA-N 447.543 2.448 30 10 IEEE CS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1731018219 MRLAVDZFYCEQOJ-MOPGFXCFSA-N 428.562 2.228 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(O)CCC[C@H]2C)c1 1740565442 VQJKFAOILSDKOM-UZUQRXQVSA-N 425.533 2.422 30 10 IEEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740567581 MCVZMBZKTVHTOY-KRWDZBQOSA-N 446.349 2.462 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1740577908 SPUPOAJKRYKSRB-UHFFFAOYSA-N 425.533 2.264 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1740636427 ZEZZAQQACPUHNV-REWPJTCUSA-N 430.516 2.341 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1740645766 SGUQSHGUOXXICU-DHIUTWEWSA-N 433.556 2.207 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1740864533 NXNUULFDITZFLI-KURKYZTESA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1740964027 FMGDNAGUMAXHIR-UHFFFAOYSA-N 437.548 2.454 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](C)O)cc2)C1 1740983936 SUPVBDICABLMLE-XLIONFOSSA-N 425.533 2.283 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1740995194 CZCRQHIKMJBOSL-SFHVURJKSA-N 448.637 2.422 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1741797453 VUIUZKNXNLYWNM-HOTGVXAUSA-N 425.493 2.207 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1743400495 WNKRYUPNSOHQCY-FCEWJHQRSA-N 429.546 2.474 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)CC1CC1 1744688930 HYHXYGYRVQWFQZ-UHFFFAOYSA-N 446.552 2.003 30 10 IEEE CCOCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1747378742 XEIKIXUUIMZDRC-UHFFFAOYSA-N 437.592 2.419 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1748638891 YPZSKYLRDFAFMS-WOJBJXKFSA-N 437.592 2.085 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1748710573 UEDZUOMAKKCKJQ-QGZVFWFLSA-N 437.504 2.268 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C1CC1 1748751346 GINUJSHGSNGHQJ-GOSISDBHSA-N 449.602 2.255 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCCC1 1748784543 ORYFFJQJRWLKEL-LJQANCHMSA-N 443.621 2.428 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748812358 UBCMOWCBICOVBO-IBGZPJMESA-N 444.605 2.166 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748818645 CTVXBXHEAYUVSG-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(F)c1 1748841259 WEEWTGSZKLMBGE-UHFFFAOYSA-N 436.516 2.498 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)NCCC)CC1 1748999293 OKICJDKAWHANDD-UHFFFAOYSA-N 444.967 2.182 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749239921 PGUQXFWDXADLJO-GOSISDBHSA-N 427.505 2.399 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749420842 FUEUNESUVAEYHC-NRFANRHFSA-N 435.532 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](COC(C)C)C1 1749729404 IMAMEMIIOMEPLA-IBGZPJMESA-N 448.589 2.485 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C)C1 1749738046 CZFNCBCDHSOBTF-GOSISDBHSA-N 434.562 2.300 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCO[C@H]1C(C)C 1750153868 ALAJNXFXMKWYLC-KNJMJIDISA-N 433.553 2.182 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cc(C(C)(C)C)no1 1751224363 PCYRSPSSFQXYOH-VLIAUNLRSA-N 449.581 2.352 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)c1 1751406336 HGCBBRPCDIDESO-HXUWFJFHSA-N 438.532 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN(C)C)c1 1760208510 DYXQAWRUJJMCLM-UHFFFAOYSA-N 441.539 2.498 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760281443 MYORLJIIIQHPHH-UXHICEINSA-N 444.605 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)(F)C1 1760316693 VUSVCHRNDDIXGU-BMFZPTHFSA-N 447.552 2.351 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCNS(C)(=O)=O 1760486365 LUTSZBLFGTXJLJ-UHFFFAOYSA-N 432.575 2.452 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1760521421 SFKGZQVLPRCYLL-HNNXBMFYSA-N 436.438 2.187 30 10 IEEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1761014951 JDKREMQRRWIXRN-ZWOKBUDYSA-N 438.573 2.123 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1763927613 LLIDIXAOHHIHTB-UZUQRXQVSA-N 438.532 2.117 30 10 IEEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1769266665 WXLAVPPJEUULFM-OXQOHEQNSA-N 444.511 2.128 30 10 IEEE COC[C@H](F)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1769286077 WWGYYTOXPZHVKD-MRXNPFEDSA-N 426.452 2.498 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1C[C@]1(O)CCO[C@@H]1C 1769822354 CQIHKWRXYATZKC-UZUQRXQVSA-N 425.533 2.295 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCOCC2)C1 1770726381 FEYFOKNBINWPLS-LJQANCHMSA-N 430.440 2.227 30 10 IEEE CCCn1c(C(=O)N2CC(Oc3cccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1849798869 GOQDETXNSPIYSK-UHFFFAOYSA-N 428.452 2.229 30 10 IEEE C=CCN1C[C@@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccc(F)cc3)cnn2C)CC1=O 1852238080 XLDSWDVMEYHDQG-INIZCTEOSA-N 437.479 2.147 30 10 IEEE COCCN1CCN(Cc2ccc(C(=O)Nc3c4c(nn3CCC#N)CCC4)cc2)CC1 1853162576 CXHABZRSCURMRG-UHFFFAOYSA-N 436.560 2.302 30 10 IEEE CC(=O)N1CCC[C@@H]1CN1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1(C)C 1855997558 KFNBMCXAVQXVSU-QGZVFWFLSA-N 430.936 2.480 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862608786 WFQCWYODRPTMKK-BLVKFPJESA-N 439.420 2.115 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1864329022 JOSPOFWZGWVSTL-INIZCTEOSA-N 428.489 2.005 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4c[nH]nc4c3)cc2C1=O 1870143144 ZBLVCMVCJOZXPU-UHFFFAOYSA-N 440.423 2.272 30 10 IEEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873561214 UEJHQXCNCMGHGH-UHFFFAOYSA-N 443.548 2.195 30 10 IEEE Cc1nc(C2=C(N)N(c3ccc(CC(=O)OC(C)C)cc3)CC2=O)sc1C(=O)N(C)C 1873920421 NPDJKMOZUMPJRK-UHFFFAOYSA-N 442.541 2.364 30 10 IEEE COCCn1cc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)cn1 1889349930 FIQLLJOJRHFMLY-PMACEKPBSA-N 427.530 2.433 30 10 IEEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC(CN(C)c4ncccc4C#N)CC3)co2)no1 1891652793 CYWMBVDNIXCWCS-UHFFFAOYSA-N 449.471 2.479 30 10 IEEE O=C(N[C@@H](CC[S@@](=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1892259998 LVRMCUJHHZQIBR-BGOLNKOXSA-N 441.505 2.113 30 10 IEEE N#CC1(c2ccc(C(=O)NCc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)CC1 1892370159 NTVQCKKMIZNGIC-UHFFFAOYSA-N 425.510 2.193 30 10 IEEE C=CCC1(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2010226425 AIHCHHFLENDFAO-HZPDHXFCSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073752900 VICBXFXITWWYPJ-IVZQSRNASA-N 436.358 2.443 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128727487 FKBRETGIUSTLSC-ROUUACIJSA-N 446.353 2.284 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247923146 SWNVJUJWEUPMLJ-UHFFFAOYSA-N 440.371 2.318 30 10 IEEE C[C@H]1OC2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CC1(NC(=O)OC(C)(C)C)C2 2254795990 LBWVGESNEAKLPD-PKCFSEMTSA-N 440.544 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255368374 IQRUAHLVPBRPRE-HZPDHXFCSA-N 433.358 2.411 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255533798 YHBYVMZFUYFNFA-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE Cc1c(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534946 OFRQEOOHFQSSJV-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1NC(=O)OC(C)(C)C 2255631792 DTVQEJWRDJZRQB-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(C)C(=O)OC(C)(C)C 2255635467 HKILULUJOZBLEU-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255709505 XCDLPWZKUAXNFZ-NEPJUHHUSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256614731 PGVGERXTWHLTIJ-HOCLYGCPSA-N 433.314 2.002 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1 2267227923 WOIGCBIUHUHONP-ZWKOTPCHSA-N 446.353 2.316 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)C1 2267512467 NOBRTMUYBFQXDY-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1Cc1ccccc1 2267516939 LIBMSKRKQQAJLS-ROUUACIJSA-N 438.381 2.454 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2267518103 AANAFRNEOVOWEL-CABCVRRESA-N 448.373 2.474 30 10 IEEE Cn1cc(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267520360 KYTWFZZAYQYYPR-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267525015 YKQVHJBCROVURJ-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267542400 RASLMTCUSBJJSE-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE CC1(C)OB(c2cccc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2267591365 APVWLBLHSHYROD-QFIPXVFZSA-N 435.377 2.190 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303620460 AXCOCSJOGSBFBA-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2313210377 YAPTXPQHHVWGNF-ZMPRRUGASA-N 434.342 2.200 30 10 IEEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2319263006 BGFUDMNEPFYPEX-CYBMUJFWSA-N 447.728 2.488 30 10 IEEE Cc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2321193320 UKNOVKVNTRDECJ-UHFFFAOYSA-N 426.458 2.491 30 10 IEEE Cc1cc(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649139 CEDLOTLSHNRFQN-GOSISDBHSA-N 448.369 2.186 30 10 IEEE C=C(COCc1ccccc1)[C@@H](OCCN)c1nc(Br)nn1CCOC 2353742178 KMEPICZBDVSGDO-MRXNPFEDSA-N 425.327 2.476 30 10 IEEE C#CCOC[C@H](O)CN(Cc1nc2sc(C(=O)OC(C)C)c(C)c2c(=O)[nH]1)C(C)C 36207419 YDJTVNYDLNCMCK-OAHLLOKOSA-N 435.546 2.079 30 10 IEEE CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)c1ccc(C2=NOC(=O)C2)o1 102813941 NNMZZIPZHAKTQH-UHFFFAOYSA-N 431.334 2.096 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)[C@H]1CCCO1 254491811 ZQQMDVTXFHNMRT-BFHYXJOUSA-N 445.360 2.230 30 10 IEEE C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCN1CCO 427438046 BUWPPBONWAJQME-JXFKEZNVSA-N 440.931 2.459 30 10 IEEE CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CCN(c2cnccn2)CC1 434363378 QGQAFJHIAHHOLG-HXUWFJFHSA-N 433.516 2.154 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(F)cc1 474343666 DIFHPVKWFMOOMF-UHFFFAOYSA-N 436.512 2.161 30 10 IEEE COC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 475030722 JYQDZZWQABJUIB-UHFFFAOYSA-N 446.460 2.022 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 498873838 NUKXUFRJALCJTQ-UHFFFAOYSA-N 425.576 2.152 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 508479195 WXWUUGYULRTDHY-HKUYNNGSSA-N 433.578 2.454 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508843751 FFSZPBOJOSUXCF-UHFFFAOYSA-N 445.365 2.294 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 508914851 VDKXZWGRSUUVPL-MRXNPFEDSA-N 443.932 2.226 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cc2c(C)[nH]c3ccc(Br)cc23)CC1 512714800 YTGACHUEOSOOQS-UHFFFAOYSA-N 433.350 2.228 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1cccc(C)c1 516372334 HQNBTDBXGDBGFD-UHFFFAOYSA-N 433.533 2.082 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 520334303 AJRUBLRMWFGAKU-ZWKOTPCHSA-N 437.456 2.201 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](c3cccc(O)c3)C2)CC1 539453356 KPYROGQOQUVAPI-PKTZIBPZSA-N 438.503 2.314 30 10 IEEE CN1C(=O)NC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)CC2)C1=O 558928251 XEKALFPUJCCSNS-UHFFFAOYSA-N 441.495 2.386 30 10 IEEE CC(=O)Nc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 586342870 FYWOZFKSJIEMCS-SSEXGKCCSA-N 444.538 2.393 30 10 IEEE C#CCN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 731212790 FPVXGNRPEAJRQY-GGAORHGYSA-N 428.529 2.496 30 10 IEEE CN(C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)C1CCCCC1 732706001 KKYZUGWPIRGDFO-OAQYLSRUSA-N 437.544 2.229 30 10 IEEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755048629 OPNIZNUCTGBIJZ-UHFFFAOYSA-N 448.573 2.023 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757369061 DFOYYABASSEHRH-OAQYLSRUSA-N 438.480 2.375 30 10 IEEE CNC(=O)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)C(C)C 772423503 ZRZMXNJRDVQERW-KHCKMINHSA-N 437.566 2.172 30 10 IEEE Cc1cccn2c(=O)c(C(=O)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cnc12 773757085 MEDIWVBIQNNFFE-UHFFFAOYSA-N 436.371 2.012 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790870025 SWQIPEXAHVZZBX-MFKMUULPSA-N 449.476 2.330 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@](F)(C(=O)OC)C1 802605060 YRQLKROJLVGEFT-OAQYLSRUSA-N 431.468 2.372 30 10 IEEE COCC[C@@H](COC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 810168475 CYZYFVVDRMNQFL-BUVGWWEQSA-N 440.566 2.453 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)CC2)c1C#N 812271285 FZAMMGCXIINQCL-LBPRGKRZSA-N 433.456 2.427 30 10 IEEE COC(=O)c1ccc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 912630308 AFBXRYWXIKPEJH-GOSISDBHSA-N 443.525 2.243 30 10 IEEE CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916776093 SPLPLXIYGIZXQS-LJQANCHMSA-N 428.514 2.028 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnc(C)s2)c1=O 917762024 SHYGCDDPLBIOOV-UHFFFAOYSA-N 425.535 2.479 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)n3nc(C)cc3C)n[nH]2)c([N+](=O)[O-])cc1O 1084431991 BTXKFHQVXSPAIT-UHFFFAOYSA-N 446.449 2.119 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1 1084510799 XTSYYDKEESNGLR-UHFFFAOYSA-N 443.464 2.094 30 10 IEEE C[C@H](C#N)N(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)C1CC1 1130875473 QAISLYQKHQQANQ-SNVBAGLBSA-N 447.298 2.058 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)Nc1ccc(F)cc1 1137369963 QMSVPIZJQIJRLY-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@]1(N2CCOCC2)CCSC1 1142212101 CTSYATZIPIICAO-SFHVURJKSA-N 440.363 2.024 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(C#N)CCCCC1 1147670169 SXFSLUUBIJOLFD-SFHVURJKSA-N 435.546 2.306 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 1147775489 WWLOIPHVYYTVKB-AEFFLSMTSA-N 449.573 2.364 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C3)cc1 1180357731 ZZBASHSFOKUZLV-CGTJXYLNSA-N 447.557 2.116 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1286369286 KMSGTKKWOCLGIA-GOSISDBHSA-N 433.560 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1286414739 AQVMESIPTCGLOH-FQEVSTJZSA-N 431.496 2.345 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CC1 1286514484 HBOJNUSRWABLAL-JOCHJYFZSA-N 428.581 2.053 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1286521589 ARBZCNYPYBTETD-WOIUINJBSA-N 433.622 2.293 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286554459 HKWKHYSULHCYQK-SBHAEUEKSA-N 431.581 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](OCCOC)C1 1286561213 ALNRMJMPZYJRKN-URVUXULASA-N 427.549 2.487 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1286562762 SDWJMVISNIXLFN-CRAIPNDOSA-N 437.541 2.051 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286603046 KLTJNFZTQKIPIP-UHFFFAOYSA-N 442.564 2.184 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](COCCOC)C1)c1ccccc1 1286617190 JZWQMSQCQYIRQR-QUCCMNQESA-N 425.533 2.432 30 10 IEEE C=C(Cl)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286635108 JZXNYKLWXNTYLI-CRAIPNDOSA-N 432.974 2.085 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOC[C@H]2C)C1 1286808286 VGQXSCXETVJRDG-CTNGQTDRSA-N 441.576 2.380 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286824800 JNKGEFDPYDPHQR-UHFFFAOYSA-N 434.610 2.128 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1286833244 XSGKAZGWHXBPIU-IAGOWNOFSA-N 428.624 2.352 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(OCCN(C)C)c1 1293003563 CQLSBYJXLOXJBV-UHFFFAOYSA-N 447.543 2.364 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCOC1 1298187780 KREUIJLVVPXELW-UYAOXDASSA-N 427.505 2.149 30 10 IEEE CN(Cc1ccco1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298383714 NSNPFDLVJIGYOR-MRCUWXFGSA-N 433.472 2.020 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cc[nH]n1 1298784639 VXGXZFPLFWQFBW-IRLDBZIGSA-N 436.468 2.285 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1300323179 XLXZDLBTUGKAIR-INIZCTEOSA-N 430.553 2.258 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300357059 IAUIDQBZVAJZRT-UHFFFAOYSA-N 437.592 2.442 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 1300466097 UJSSVWKMHLYKNF-IBGZPJMESA-N 441.532 2.197 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1300481945 CLJJSEKEDDVAKP-GOSISDBHSA-N 431.562 2.260 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1300509536 OMRGEBPKOMBOCY-CQSZACIVSA-N 439.463 2.028 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)CCOC 1300642251 OQAHCMIZUQSCNW-QHCPKHFHSA-N 443.523 2.081 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2cnn(C)c2)CC1 1300692844 NQGHRSZLSHRBMN-UHFFFAOYSA-N 440.349 2.245 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1300778324 SHTJZOCGWJYKGC-WOJBJXKFSA-N 432.638 2.101 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301001954 QSEYVUQJDRBCJR-HXUWFJFHSA-N 441.532 2.390 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1301384350 UKZMTFGCOARWGW-UHFFFAOYSA-N 428.518 2.207 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1301509211 CHDUGTZAFXSCGB-VQTJNVASSA-N 441.580 2.085 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1303635706 CQACJWNDBMBDJA-QGZVFWFLSA-N 435.532 2.337 30 10 IEEE C=CCCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC 1303687770 RWBAPSYJWHXVJS-YJBOKZPZSA-N 426.510 2.241 30 10 IEEE O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252779 PPLXTARNZMVWQG-AKEJEFCPSA-N 434.287 2.217 30 10 IEEE Cc1nnc(N(C)Cc2ccc(Br)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1304793498 ZVQRPHJSAWEFPY-FOCLMDBBSA-N 435.282 2.105 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(C#N)o1 1305657901 KJKZOOQAJBVEMH-IBGZPJMESA-N 442.545 2.318 30 10 IEEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1307027633 FIDKPDCMDVHZDK-UHFFFAOYSA-N 426.521 2.118 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)C1 1309843850 MIMZZPBFQTUUMA-HNNXBMFYSA-N 443.363 2.310 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313952801 HJHHKPUZSVNPDA-AVRDEDQJSA-N 426.544 2.056 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)cc1 1315399263 PGRNWWIYVDMXHF-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1316213095 YRQLUHQBBFODBY-WFASDCNBSA-N 429.399 2.283 30 10 IEEE Cc1c(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cnn1CCC#N 1353853223 BSCNMRSMRPAFNE-UHFFFAOYSA-N 427.530 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ncnn1-c1ccccc1 1358997385 QJBZPLIPDHHFKL-UHFFFAOYSA-N 439.527 2.232 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1359002918 RSKYWPHJEITWBB-JXFKEZNVSA-N 444.532 2.482 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Sc1ccccc1 1359024494 OFTMQCTUJKKUFL-ROUUACIJSA-N 448.614 2.447 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CCn3ccnc3C2)n1 1359027312 DVFIQUBHCXKTIM-LJQANCHMSA-N 436.564 2.343 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1359059887 DOHHGITVAMAPFD-UHFFFAOYSA-N 443.573 2.327 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359136563 NGAFNGBKKMANEE-SFHVURJKSA-N 438.525 2.212 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1359224234 KVNZESZEFBJSKQ-UHFFFAOYSA-N 444.536 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2ccoc2CC(C)(C)C1 1359326757 IZGIGPVENJTZKR-UHFFFAOYSA-N 449.577 2.199 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1360312738 AUTSAQFCAGMFTM-APWZRJJASA-N 432.496 2.276 30 10 IEEE Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1nnn(C)n1 1361087177 APYHARZUEVEOQY-AWEZNQCLSA-N 443.943 2.419 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccnc3c2CC(=O)N3)c1 1441733716 GNHXJUMTVLBNBR-XIEYBQDHSA-N 441.513 2.422 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(F)(F)F)n1 1449856051 RVWSOZCIKFJFOT-UHFFFAOYSA-N 426.420 2.236 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C(=O)OC)(c3ccccc3)C2)s1 1450284736 TUHNQUJSRQWGPT-OAQYLSRUSA-N 448.566 2.098 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CC[C@](O)(CC#N)C1)C2 1452255029 XGJJWNQCEVWKGK-KSFYIVLOSA-N 431.489 2.247 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)OC)c2ccc(F)cc2)s1 1464433724 BBAMKBPDEXLWGK-INIZCTEOSA-N 440.518 2.315 30 10 IEEE C#C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCCO1 1467293758 OFBCRDVTFHRBLW-GBESFXJTSA-N 430.501 2.310 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCCOC(F)(F)F)CC2)c1C#N 1492727626 BEJPIGKMCQHPEU-UHFFFAOYSA-N 438.458 2.322 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1505075342 XWBSUXYQCSYLIJ-QCMGHPBJSA-N 430.553 2.047 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1507539239 STMUCLYKOVORSY-WSTZPKSXSA-N 445.589 2.181 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnc2n1CCC2 1507612211 VHYNVUOBVPMEMB-UHFFFAOYSA-N 442.321 2.372 30 10 IEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1507631303 NVZAAULJOBPPPJ-HNNXBMFYSA-N 447.561 2.069 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC1CC1 1507687956 VYSIMUWELXCVGU-UHFFFAOYSA-N 438.557 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(N)=O)cc2)CC1 1507733595 FIGVRPMAOFLATP-UHFFFAOYSA-N 437.548 2.080 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1507752282 VSJYDAOJXPYBBQ-IBGZPJMESA-N 426.590 2.316 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1507819253 WSTHLQMVGTYNAA-UHFFFAOYSA-N 436.607 2.121 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1507983781 RWOIZDJEIBWNTC-IBGZPJMESA-N 426.546 2.096 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H]1CCCCO1 1508072040 BADMLAGVPKPNSU-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H]1CCCCO1 1508073847 PKYJHCAJUGRPOV-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1508115325 IVLQCWPXVHLHSZ-GAJHUEQPSA-N 441.532 2.222 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2(C(N)=O)CCOCC2)C1 1508130846 XEYJIVFTABOUDZ-HXUWFJFHSA-N 439.560 2.241 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1508134320 RNKSQDKGORMYFH-UHFFFAOYSA-N 447.605 2.459 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1508700548 RFXCFWADRBYMQV-WYIRRWHOSA-N 437.516 2.423 30 10 IEEE Cc1cccc(C(=O)NCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)c1 1511060749 KZTOWRHCLSOJTF-MRXNPFEDSA-N 449.515 2.483 30 10 IEEE CCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1514243370 HRECLUVTYAYKNP-GCJKJVERSA-N 426.521 2.427 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CCC#N)CC2CC2)C1 1517416679 ZXBVVZLHMJZJTC-OAQYLSRUSA-N 425.493 2.050 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)c(OC)c1 1518165384 CUXLDBKLVXDBKB-CABCVRRESA-N 435.431 2.115 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1518941240 IUOTUECLBYVEJQ-IIBYNOLFSA-N 448.483 2.482 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1539101878 LKNKDNRKAWFXLS-VGOFRKELSA-N 444.557 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCC(OC)CC2)CC1 1539481389 MJDQCWBBKHLAON-CKHPTIKVSA-N 443.592 2.343 30 10 IEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540027525 ZRUVHXOVQRNANJ-UHFFFAOYSA-N 442.495 2.198 30 10 IEEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1541861124 IBKUFNMAXPQFDA-LJQANCHMSA-N 430.560 2.412 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1541993777 CUFJHAQAPVRQNN-GOSISDBHSA-N 444.561 2.150 30 10 IEEE COC(=O)[C@H](CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)Cc1ccncc1 1543022911 SJRMLJJZIDBBDJ-IBGZPJMESA-N 438.333 2.451 30 10 IEEE C[C@@]1(c2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2)NC(=O)NC1=O 1543865542 VOMVOQRGXCQECW-IBGZPJMESA-N 443.257 2.393 30 10 IEEE CCCN1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1547177213 KBJHRWQRHBPGNR-LJQANCHMSA-N 429.594 2.485 30 10 IEEE CN(CCCc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1554271687 SLPSERXNPRPFAY-UHFFFAOYSA-N 428.504 2.358 30 10 IEEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555725577 XBKOJWXGLYUHFD-JOCHJYFZSA-N 448.527 2.376 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)COc2cc(Br)ccc21 1557383817 FALHUXCRHYIFGF-QGZVFWFLSA-N 444.285 2.238 30 10 IEEE C=CCC1(O)CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 1560155807 VRCVMSDNTXHLKX-UHFFFAOYSA-N 447.601 2.153 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C3CCCC3)cc21 1563315933 UKRGVDPULQBUAS-GOSISDBHSA-N 434.566 2.299 30 10 IEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1587782784 CDZBSKMDGCLCLE-UHFFFAOYSA-N 447.543 2.290 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1587915296 INKAUWCRFPZSRI-HSZRJFAPSA-N 435.532 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588124338 JCGGZXPOIZQFKJ-FQEVSTJZSA-N 441.539 2.390 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)(F)F)ccc3N)CC2)cc1 1588158208 RJPKHMKZKGRNOT-UHFFFAOYSA-N 438.431 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN(C)C(=O)OC(C)(C)C 1588158507 FFDKNHPCMHJWFP-UHFFFAOYSA-N 439.564 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)nc(N2CCCC2)c1 1588171037 RVADSKFFRALAEO-UHFFFAOYSA-N 445.571 2.329 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1589652138 PLUMALOVYXMLLR-HSZRJFAPSA-N 438.532 2.229 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1595545625 ZSTUMOZBBIHNCK-IRXDYDNUSA-N 445.593 2.162 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1596978366 OEOMUUICOBWFKR-SFHVURJKSA-N 427.530 2.033 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCC(=O)NC(C)C)C[C@@H]1C)C2=O 1615243840 SBIPVEHPOCEBNW-MQJDWESPSA-N 436.892 2.278 30 10 IEEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2ccc(C#N)cc2I)C1 1616832990 CJSWUJFQXBTPCR-OAHLLOKOSA-N 435.225 2.337 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1 1618653550 FXNNOYQGFKXJNZ-OALUTQOASA-N 438.532 2.118 30 10 IEEE CC(=O)NCCc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1622426645 FCXQBUBNFJNZFJ-UHFFFAOYSA-N 426.542 2.184 30 10 IEEE COC(=O)C[C@](C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1632485743 PCBZIUIJUKWHAL-NRFANRHFSA-N 435.546 2.134 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1632944381 YMKVXZBLRSTDKG-HZPDHXFCSA-N 429.525 2.069 30 10 IEEE C=CCN(C(=O)c1ccc(S(C)(=O)=O)cc1N)[C@H](Cc1ccccc1)C(=O)OCC 1632980828 CHGWAPBBIXKBBP-HXUWFJFHSA-N 430.526 2.475 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCOC1 1634433007 JKIXRHGPNORWMF-AAIJEUTGSA-N 449.548 2.249 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 1638392418 BMQYBWUKADLHGA-QGZVFWFLSA-N 448.365 2.302 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 1640868095 LCUHBQAHMZHJCF-CEXWTWQISA-N 432.546 2.275 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)cc1 1646286256 CGFWBVPBNQFNAL-INIZCTEOSA-N 437.443 2.442 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1 1648260763 GOXKUGDEMMQJGT-SIKLNZKXSA-N 426.494 2.272 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)C[C@@H](C)O1 1649557029 DUSBIVKDYGGTDK-OKZBNKHCSA-N 439.564 2.016 30 10 IEEE CC(C)(C)Oc1ccc(NC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)cc1C#N 1661979683 HRPHZCVIEXVYOL-UHFFFAOYSA-N 428.536 2.011 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)NCCS(=O)(=O)N3CCSCC3)cc2)nc1 1667890867 FTWFLKLBUGTHFS-UHFFFAOYSA-N 447.542 2.246 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](CO)Cc2cccc(C)c2)c(C#N)cn1CCOC 1668605481 DKWDXXHVTXIUDC-GOSISDBHSA-N 428.489 2.216 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NC(C)C 1690008372 GHLMJPJTUSAJEE-UHFFFAOYSA-N 444.333 2.314 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1690266607 COAWNNDHGLBYTO-KRWDZBQOSA-N 446.556 2.166 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690299497 ULCHSKMCQRIDKB-SFHVURJKSA-N 446.596 2.238 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)OC(C)(C)C 1690523871 RHWHGHSLHXMVSX-UHFFFAOYSA-N 449.581 2.385 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1690526747 DBQBRQGKWDUEMM-IBGZPJMESA-N 433.578 2.093 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)C1 1690697554 XNQSAFOQGBVPCY-UONOGXRCSA-N 431.566 2.208 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)c1 1697522585 CJZNXVGZRQVLMQ-HXUWFJFHSA-N 438.532 2.475 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1697775391 DJCAONKFDWPHET-GOSISDBHSA-N 438.463 2.357 30 10 IEEE COCC1(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CCCC1 1697800706 JECMBNSMTYDDBE-LJQANCHMSA-N 427.553 2.465 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCCCO)CCO1 1698490589 DTDPRBJCVXZNTD-KRWDZBQOSA-N 431.562 2.403 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCc1ccc(OC)c(OC)c1 1705572008 OIATWRJAWMUYQZ-UHFFFAOYSA-N 435.528 2.237 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccsc1 1705574563 HDQJGIHCNVAITH-FCHUYYIVSA-N 428.558 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)NC(C)C)CC1 1705645742 CUBXNSCUCKDDMG-UHFFFAOYSA-N 436.560 2.134 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1705698352 SKDODKSOMOCQHE-HQRMLTQVSA-N 445.568 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)C1 1705707357 JQAPSDNANMEWGK-IZBJGVDFSA-N 431.581 2.456 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1705810717 FYOIPZRCQIELJH-UHFFFAOYSA-N 438.536 2.446 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705829180 JSZHCRIJZKOGPC-SFHVURJKSA-N 425.537 2.282 30 10 IEEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1711898327 LUUNPUWYQSUVMR-DSGGYQJVSA-N 435.488 2.218 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1Cc1ccc(C#N)o1 1712545870 DGPBTFVHYIMZHF-IRXDYDNUSA-N 444.536 2.256 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722274454 OETKLDFBTWLEMW-INIZCTEOSA-N 430.553 2.372 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(C)cc2C1 1722332682 NWDBHFWXGXVZDK-SFHVURJKSA-N 428.558 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1722445257 NMDDCANSHCPVAO-UHFFFAOYSA-N 432.528 2.088 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1722460658 JNRQFKDLKBZNOS-UHFFFAOYSA-N 434.569 2.200 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1722464218 YKBKLCOFJWYKJQ-UHFFFAOYSA-N 429.521 2.174 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722628906 CDTIAHWTUMWSLR-LJQANCHMSA-N 441.532 2.043 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722657404 AIVBRVOJPISPBU-KNQAVFIVSA-N 446.573 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722696221 FRTBOZLTISOYND-GOSISDBHSA-N 445.527 2.132 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2(C)C)C1 1722719512 VJMKLMQILSTJNN-YESZJQIVSA-N 440.635 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1722736597 CDVLYTDUQQJVQC-QGZVFWFLSA-N 434.518 2.096 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCSCCCO 1724671575 FCJSXSHXNGIVDG-NRFANRHFSA-N 440.617 2.470 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCCO1 1727652919 JKQYFMCSFSTIJB-WOJBJXKFSA-N 438.532 2.117 30 10 IEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1F 1730131782 GPKGBCAHIZEFCA-ZBFHGGJFSA-N 435.525 2.166 30 10 IEEE COc1cccc(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)[C@H](C)CC#N)CC2)c1 1730214437 FEXUJRMMEGLCDO-CVEARBPZSA-N 446.577 2.367 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccc(C#N)o1 1730955804 JBNQAROGXSKDDU-PXNSSMCTSA-N 428.537 2.293 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740565334 RVRSCIKSNSWGMB-UHFFFAOYSA-N 441.580 2.044 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740719357 CVWGXTWNTMFCLK-IBGZPJMESA-N 430.622 2.079 30 10 IEEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740841711 XOKHDGUATMHEBR-JOCHJYFZSA-N 446.573 2.118 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccccc2)C1 1740976769 NEDHBXSKQRNLOO-QGZVFWFLSA-N 442.545 2.033 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2cccc(N3CCOCC3)c2)C1 1740984486 CNFILCXWKHHDQT-NRFANRHFSA-N 427.549 2.481 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1741135757 BPGLWCHMDNIXJX-LUDNOHBGSA-N 445.568 2.123 30 10 IEEE Cc1nc(CCn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1742607580 VRUUQCOGAHEGLB-LEWJYISDSA-N 428.541 2.118 30 10 IEEE CCN(C)C(=O)Cn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745891115 MMLRXAYRNULPDL-UHFFFAOYSA-N 445.527 2.191 30 10 IEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)ccc1OC(C)C 1748520568 DUPFQBFCAMHKIR-NRFANRHFSA-N 440.483 2.475 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1748751617 ZQOSHOBVGWLMMZ-ROUUACIJSA-N 433.553 2.315 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN(CC)S(C)(=O)=O 1748773829 ICCRJFVWXIYHLN-UHFFFAOYSA-N 441.561 2.076 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748811502 IBYWPKLFEZITGL-KRWDZBQOSA-N 443.504 2.096 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749037039 AMUMGCHXKHINJR-GJZGRUSLSA-N 445.511 2.391 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749039259 RPABHYSLDNMMEF-SFHVURJKSA-N 432.594 2.224 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1749222947 ODANGIZUENNCPX-UHFFFAOYSA-N 440.577 2.415 30 10 IEEE COC[C@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC#N 1749350040 IOGZLQFGRBCRKY-DZGCQCFKSA-N 437.545 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2)C1 1749698280 SKVMIULDPUEFOX-MAUKXSAKSA-N 437.541 2.051 30 10 IEEE COCCN1C[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@H](C)C#N)CC1=O 1749865296 WAAGAYDLTILNNP-CVEARBPZSA-N 446.502 2.238 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1750075238 BXIHIVANUMCMFM-OAGGEKHMSA-N 430.475 2.031 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1750381805 GEKRQVHKOIHQHF-GOSISDBHSA-N 443.573 2.383 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC=CO1 1750967476 ANTOLJDKVOHSGD-NRFANRHFSA-N 449.559 2.303 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1752557874 NJDBAWVGGHEMLA-FPTDNZKUSA-N 434.504 2.067 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1760124480 SHZFEROAOQPHSY-CYBMUJFWSA-N 425.411 2.002 30 10 IEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CCN(CC)CC1 1760172842 ATXBHOLAOBVRHT-GOSISDBHSA-N 425.537 2.196 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760190399 QAARRXRTFNIFJQ-UYAOXDASSA-N 446.548 2.060 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1760490338 VAZVSKXBFMCJCB-PQNGQFLHSA-N 445.608 2.476 30 10 IEEE C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1C(=O)c2ccccc2S1(=O)=O 1849789224 BUFJIIQKKSITIM-HNNXBMFYSA-N 439.493 2.161 30 10 IEEE C=CCOC(=O)[C@H](CC(=O)N[C@H]1CCN(c2nccn3c(C)nnc23)C1)c1ccccc1 1853220535 NVNIQIFPOODPHG-RBUKOAKNSA-N 434.500 2.031 30 10 IEEE Cc1cccc(N2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)c1 1853284903 PETPNTZYNHBUQY-OAHLLOKOSA-N 425.514 2.176 30 10 IEEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCC(Sc4ccccc4)CC3)C2=O)CC1=O 1854206150 CFHPJHSPSVVRAA-XLIONFOSSA-N 427.570 2.405 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cccc(Oc3ccc(F)cc3)c2)CCN1S(=O)(=O)CC#N 1854723685 ZBHOFSKFSJWXOM-CQSZACIVSA-N 431.445 2.144 30 10 IEEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)c1c[nH]c2ccc(N3CCN(C)CC3)cc2c1=O 1866444559 CDTJODKDYYVOAL-INIZCTEOSA-N 430.512 2.170 30 10 IEEE C=CCOc1cn(CCCN(CC)CC)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870385726 KBXRUVRSXMVIRI-UHFFFAOYSA-N 440.592 2.257 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCCCCC2)cn1CCN(C)C 1870498287 HDIZNVQULKATGW-UHFFFAOYSA-N 430.593 2.365 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1889309828 GTCRQUCIUWJKRE-FGZHOGPDSA-N 426.586 2.413 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1890179809 HQKMRTHAWTYPNA-UHFFFAOYSA-N 428.533 2.165 30 10 IEEE C#CCC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O 2159141497 GFNFKGMPKURJCZ-JTQLQIEISA-N 425.098 2.357 30 10 IEEE C[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@@H](C)S1(=O)=O 2172779724 HGOJBLRBJRYFLT-VXGBXAGGSA-N 445.188 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)C2=CCS(=O)(=O)CC2)CCN(Cc2ccccc2)C1 2210138112 VEUAJYRUMUAGHZ-JOCHJYFZSA-N 434.558 2.470 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 2237388100 KJTXRHJAIPUXPA-LLVKDONJSA-N 427.114 2.273 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247839914 FBODMVGZHHUCCF-HXUWFJFHSA-N 440.371 2.053 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC[C@H]1CO 2254792462 KDNURSURAZIRSW-DOTOQJQBSA-N 433.358 2.093 30 10 IEEE COCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2255598775 REWWBBBLRXNNTH-QGZVFWFLSA-N 436.358 2.496 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCC[C@@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)O2)C1 2255602135 NTNIAYOFVHUQQZ-INIZCTEOSA-N 434.342 2.296 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626467 GLRXYCXRPSQOBK-ZIAGYGMSSA-N 434.346 2.132 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255634289 OTUXSFXSBKKHOI-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255810211 AMAOXPTUSNKSJP-ZSEKCTLFSA-N 449.382 2.429 30 10 IEEE CCC[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255825694 DHBBDEWLSYMUPT-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 2255833990 KDIACZRRMOOSKX-INIZCTEOSA-N 426.370 2.278 30 10 IEEE C[C@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2255844343 VIWAPBMYQXJIDN-CQSZACIVSA-N 434.346 2.151 30 10 IEEE Cc1cc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)oc1B1OC(C)(C)C(C)(C)O1 2256881851 BUIZAYYDMGKZDS-MRXNPFEDSA-N 429.278 2.287 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2267141047 VCLQDNPWWJBXIZ-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCCC23OCCO3)OC1(C)C 2267367828 ZITJNYTXAGRHJK-CQSZACIVSA-N 429.369 2.011 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267573815 NTQGWBBYOQWGKS-VWLOTQADSA-N 436.361 2.353 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267591340 AFSMFVDISSZNMX-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CC1 2267808021 SNQFYBIHDXVZPZ-UHFFFAOYSA-N 448.325 2.184 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2334261298 LXFIPNPUFQSMPA-FQLMCAECSA-N 446.357 2.131 30 10 IEEE Cn1nc(I)cc1[C@H](O)[C@H](N)C#Cc1ccccc1Br 2360932560 YTCIHZVUTAVUPO-BXUZGUMPSA-N 446.086 2.200 30 10 IEEE COc1ccc2nc(NC(=O)CSc3n[nH]c(N/N=C/c4cnn(C)c4)n3)sc2c1 20837566 JJWCAQOLTRKVQU-NGYBGAFCSA-N 443.518 2.333 30 10 IEEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)c1OC 58500920 NVSHFYVAPNBXDO-UHFFFAOYSA-N 449.916 2.376 30 10 IEEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)cc1OC 58994186 STSDOCZKVPDCSH-AWQFTUOYSA-N 444.473 2.410 30 10 IEEE C#CCNC(=O)CSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 144622285 WWHSYOBGAOWHPN-HXUWFJFHSA-N 438.505 2.461 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 441192576 WNFAAXTZGFSDIZ-MLZLACJZSA-N 441.528 2.364 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 441996007 AYKGEJDDHHIRDK-UHFFFAOYSA-N 430.350 2.326 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 468934057 IDFZOMRPILDRMF-QGZVFWFLSA-N 427.530 2.282 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cscc2C#N)CC1 479381538 BBTNZQSVGQITIC-UHFFFAOYSA-N 425.919 2.428 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)C2=O)cc1 485984592 BHYRQOANNMRWFM-OXJNMPFZSA-N 438.434 2.107 30 10 IEEE CC(=O)Nc1ccc(OC[C@@H](O)CN(C(C)C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489421370 FWGLYPCPWQTBKL-IBGZPJMESA-N 446.529 2.059 30 10 IEEE N#Cc1ccccc1COc1cccc(CN2CCN(CC(=O)N3CCOCC3)CC2)c1 506010455 RGRFCIFQBYSKBO-UHFFFAOYSA-N 434.540 2.114 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCC(C)(C#N)CC1 506290633 CBQCKAFOHIARHP-UHFFFAOYSA-N 436.534 2.264 30 10 IEEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 507746016 BYSCDBDLIWHDEC-PMACEKPBSA-N 425.577 2.387 30 10 IEEE C[C@H](Oc1cccc(CO)c1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 513967190 GACMUWDFANGRRI-HNNXBMFYSA-N 437.475 2.474 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 521568489 JTCQMCNEXPQPCH-OAQYLSRUSA-N 447.495 2.408 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N3CCC(C)CC3)cc21 526842621 UIVSHPWKQAZOQH-XHDOVSQSSA-N 432.542 2.176 30 10 IEEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545490757 SMLVWDAZZKXRJO-HXUWFJFHSA-N 438.507 2.409 30 10 IEEE Cc1ccc([C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)N2CCOCC2)cc1 545510758 RUODEJXINLEXJL-JOCHJYFZSA-N 434.544 2.167 30 10 IEEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 553979084 SBKNTVICLTWNNQ-INIZCTEOSA-N 438.525 2.064 30 10 IEEE CCOC(=O)C1CCN(S(=O)(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 571834082 DYGFFWJPAQQDET-UHFFFAOYSA-N 437.909 2.329 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 590914667 MPARVTSLPPXSNM-MRXNPFEDSA-N 443.594 2.021 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 609908735 ATYLJCAXEDOSOK-PGRDOPGGSA-N 445.523 2.496 30 10 IEEE CN1CCC(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)(N2CCCCC2)CC1 610401828 BTPKOIUPTWITCO-UHFFFAOYSA-N 439.608 2.172 30 10 IEEE CCN1CCN(C(=O)c2ccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1 612833931 QKCQNHKZHCFNKX-UHFFFAOYSA-N 447.543 2.085 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1 615171796 VGUHTXULYVSZCJ-UHFFFAOYSA-N 435.590 2.254 30 10 IEEE C=CCn1c(CCc2ccccc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 669815972 FSAVDDBIEBBLCJ-QHCPKHFHSA-N 438.620 2.481 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)c(Cl)c1 727416136 GTQARVOBEADXDL-UHFFFAOYSA-N 429.860 2.090 30 10 IEEE N#C[C@H]1CN(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)CCN1C1CC1 732700869 SRIMUIQIOKLNSF-QFIPXVFZSA-N 432.528 2.383 30 10 IEEE CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1 751688971 XQKLLJLZZWNYTD-HKUYNNGSSA-N 448.589 2.262 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCCOc2cccc(C#N)c2)[C@H](C)O)cc1C 763844005 WRBYJQWPWUIXII-UWJYYQICSA-N 446.525 2.215 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](OC1CCOCC1)c1ccccc1 766979702 INTRQVLCYLFKGZ-HXUWFJFHSA-N 430.482 2.309 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC2CCS(=O)(=O)CC2)C1=O 768422868 VEIRXDFWNGNPEF-MRXNPFEDSA-N 441.550 2.108 30 10 IEEE C=CCNc1ncc(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)s1 770117883 GDMFIJQKTSPLPR-UHFFFAOYSA-N 428.514 2.319 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 780203750 DKTXQSBCOWOYQF-QGZVFWFLSA-N 426.429 2.256 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1=O 782757598 GTDMRIZNUQXOGU-MORLXBONSA-N 447.495 2.227 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 789218023 BGJJMDMUUQBDHZ-SFHVURJKSA-N 433.553 2.464 30 10 IEEE C=CC[C@]1(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790763151 GLGOZCBEPVTIEY-TWOQFEAHSA-N 429.583 2.166 30 10 IEEE C=CC[C@@]1(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CCCN1C(=O)OC(C)(C)C 790876422 YNXLHIUHJFOYHN-HXOBKFHXSA-N 445.564 2.373 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)[C@@H]1c1cncn1C 796088826 ZVDYMLYYJFBGLX-ZRGWGRIASA-N 443.529 2.294 30 10 IEEE Cc1nn(-c2ccccn2)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CC2)c1=O 802722763 IAEZVPTXXOMMLT-UHFFFAOYSA-N 445.548 2.315 30 10 IEEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 803697908 WZWDGEYSJOCOBO-UHFFFAOYSA-N 430.526 2.314 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 812918327 QXSWTODGWCUJRM-IXSYQRGLSA-N 432.468 2.465 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 813730366 NZYDEHLVZGSQKV-OAHLLOKOSA-N 434.905 2.150 30 10 IEEE C#CCNS(=O)(=O)c1cccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)c1 856567912 SWRLFCBRFMPDFJ-QGZVFWFLSA-N 428.514 2.154 30 10 IEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)NC(C)C)n[nH]1 1084030105 NDZKNOHFYPWZQE-UHFFFAOYSA-N 441.565 2.428 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)cc1OC 1084308102 WVTLNQKXICKWDO-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE Cc1cccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)c1 1084618287 HUECZZVGLNFXCR-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1136298793 HEPUSTYTIJAADO-KMKOMSMNSA-N 427.451 2.402 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 1142785300 CMOJTCDKMMWOFA-VQIMIIECSA-N 433.917 2.103 30 10 IEEE CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)c3nc(O)c(C#N)cc3C)ccc21 1159038197 MHMBYTDRMDJCAA-UHFFFAOYSA-N 430.367 2.221 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(NCCN4CCOCC4)c(F)c3)C2)nc1 1160059214 IOZFYTPGAFXOGG-LJQANCHMSA-N 439.491 2.130 30 10 IEEE N#C[C@@]12CN(c3c([N+](=O)[O-])cnc4cc(Br)ccc34)C[C@H]1CS(=O)(=O)C2 1164206287 SXXMOUNVYPXVEC-QFYYESIMSA-N 437.275 2.280 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)c1cc(F)cc(F)c1 1176425922 NWQFBGVZZRUYSX-LLVKDONJSA-N 429.395 2.411 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)C2)nc1 1178460924 VCADQSPKBQHJII-HNNXBMFYSA-N 449.483 2.003 30 10 IEEE C=CCCn1cc(CN2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)nn1 1181496999 BMUOITQUPMLUFC-UHFFFAOYSA-N 426.546 2.299 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1218681035 GFECVVGMPYYMNK-KRWDZBQOSA-N 447.513 2.400 30 10 IEEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C1 1254566058 SPDZAEJVUSGVED-KRWDZBQOSA-N 428.576 2.135 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H](O)C1 1286397643 ONWJVJDWRCSZNN-ICSRJNTNSA-N 439.947 2.485 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)CC 1286417129 WYGMXCRLKVWYJY-UHFFFAOYSA-N 444.333 2.171 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(SC)CCN(C)CC1 1286423439 UTSATDYXYVSWHF-HSZRJFAPSA-N 445.633 2.221 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1286426035 HIXMSPGLTRYBPK-UTKZUKDTSA-N 445.445 2.142 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1286437012 DZAKSBNAJDYMEZ-HSZRJFAPSA-N 431.581 2.427 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCCC1 1286464265 YFWOLDAUBIVLCS-UHFFFAOYSA-N 425.533 2.288 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](COC)C1 1286543869 CDDFZEFNXVBWOX-CQSZACIVSA-N 428.356 2.394 30 10 IEEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286683770 ABONZGAZBNWYJC-UHFFFAOYSA-N 440.523 2.368 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286768291 XNGNYSSEJRZFSU-ROUUACIJSA-N 429.569 2.262 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1286773295 MVUBGVPTLGRTNG-ADKAHSJRSA-N 426.583 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286784980 ALVRPMRSNMXMJM-UHFFFAOYSA-N 448.527 2.265 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1288516674 CPILWIKXTGQJFA-KXBFYZLASA-N 434.548 2.271 30 10 IEEE Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1290721696 YQZUMDVUVHRURS-VQTJNVASSA-N 428.562 2.299 30 10 IEEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1290917368 BBAMDNQQUSKAIN-CQSZACIVSA-N 437.504 2.276 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H](C)O1 1291223868 NXEMGROPTOSLNX-GPMSIDNRSA-N 429.546 2.398 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@@]2(CCOC2)O1 1291278907 DVRNWCNNGCVNAI-UZUQRXQVSA-N 441.532 2.274 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 1293767762 ZJJFMPVBFLTORN-RTWAWAEBSA-N 429.561 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4nnc(O)o4)C3)C2)C1 1296864857 REBQRTAOXZMOCY-DNMKQRRRSA-N 431.493 2.268 30 10 IEEE CN(C)c1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1298052926 GBKJQCANMVYHFZ-LJQANCHMSA-N 442.589 2.229 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CSCCS2)CC1 1300688098 ANSJXXLSAIHKBR-GOSISDBHSA-N 444.586 2.457 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1300732301 AIQSWGLGNXBBQT-IRXDYDNUSA-N 426.546 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1300786564 GWJVCHHDYSNFEA-DNQXCXABSA-N 437.544 2.458 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1300823413 GWKGVYGOOOJCAT-GHMZBOCLSA-N 440.264 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300889184 PMAPKOIINHFLPS-VIZSFHNOSA-N 446.640 2.495 30 10 IEEE COCC1(C)CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301100230 YGWSICHSCHBNOS-FMQUCBEESA-N 428.537 2.010 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1301185758 JNBZHNQVEFMYDO-GOSISDBHSA-N 435.532 2.263 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301588160 XSDBWNDXFGDMLI-MRXNPFEDSA-N 441.598 2.277 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1301817947 SNZJISBDDOKGGJ-IBGZPJMESA-N 435.532 2.375 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cnc2ccccc21 1302095881 FTRVSTPMEOSYKD-ROUUACIJSA-N 439.520 2.171 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1302095902 FZJKDLCCSYSHKY-UXPWSPDFSA-N 446.527 2.173 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCC[C@@H]1C 1302953744 BIIFSCUIGPDMLR-BSRJHKFKSA-N 438.580 2.404 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nc(C(F)(F)F)cs1 1303366985 GCIPHUAMQZNWEM-OAHLLOKOSA-N 431.419 2.382 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)cc21 1304216402 JMEUTXQPNSXXFX-XLIONFOSSA-N 444.488 2.124 30 10 IEEE C=CCC1(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 1309493513 DCVCCAQPHMQNCJ-UHFFFAOYSA-N 428.576 2.122 30 10 IEEE CCCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1313456548 WCEQHCWOMDXOLV-VQTJNVASSA-N 438.532 2.089 30 10 IEEE CCOCc1nnc(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)n1Cc1ccc(C#N)o1 1314398850 OYKDNUPFYUDIPG-RTBURBONSA-N 441.580 2.322 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1314455523 MHBASCMSAOKCMI-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1315917993 NCXAQMXQEWCWBR-AZUAARDMSA-N 427.505 2.007 30 10 IEEE O=C(c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(F)(F)F)N1CCCC1 1316554095 AAMXGAGCRXDUAA-UHFFFAOYSA-N 446.371 2.099 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2sccc2C)CC1 1359044162 XOAVUXSMWXKZAR-UHFFFAOYSA-N 437.573 2.257 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359099915 UUSCFAKUMHEGJH-RLLQIKCJSA-N 444.580 2.224 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359124759 BZCBNXYWNZDNGZ-NZQKXSOJSA-N 432.613 2.111 30 10 IEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359150674 DHYHZCABJZKYLQ-NRFANRHFSA-N 444.971 2.167 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C)C1CC1 1359249464 BVFFVJFJVBFMMA-UHFFFAOYSA-N 435.532 2.215 30 10 IEEE CC(C)[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1359754203 AFDPUANFTXUYOQ-XKXPVHLMSA-N 442.564 2.398 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 1360327396 UKTYMWIOYQVVOT-OAHLLOKOSA-N 429.322 2.155 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)ccc1F 1449846636 WFHJWKUMAQQSBZ-CQSZACIVSA-N 425.526 2.044 30 10 IEEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OC 1455841277 SKIUMZOXYFQJQN-OAHLLOKOSA-N 443.953 2.150 30 10 IEEE Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456597610 WWCBGOYJFWKSAH-HTQZYQBOSA-N 435.271 2.368 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(Cl)ccc1Br 1462872163 JIIPEDSWLOSKHB-CYBMUJFWSA-N 440.768 2.055 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)s1 1468305304 GIDGZIMTWZGFGG-OLZOCXBDSA-N 431.580 2.173 30 10 IEEE COC(=O)[C@H](CC(C)(C)C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1469381445 DCBUWKILMNLFOW-INIZCTEOSA-N 437.562 2.380 30 10 IEEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)n2ncc(C#N)c2N)c1 1470612880 XUPQGKRXDCQJFF-LBPRGKRZSA-N 425.445 2.304 30 10 IEEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)C1 1472151693 YPLZUWLOYSXTRN-UHFFFAOYSA-N 433.511 2.422 30 10 IEEE CC#CC[C@H](CO)NC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1479292329 CLQJGXBUICJGBU-OAQYLSRUSA-N 444.576 2.313 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC(C)(C)C2)cs1 1492675209 PXULHGDOZDGDAY-FQEVSTJZSA-N 433.557 2.187 30 10 IEEE CCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498835174 OQCUQFYTNVJEQH-VAYKLRKYSA-N 436.516 2.333 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1c(C)noc1C 1504996385 WJPNQCNMOAPZDH-HKUYNNGSSA-N 443.552 2.026 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1507591625 MJOIHTJPMPNMSK-SJORKVTESA-N 440.552 2.032 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1507611273 NXYLDOIHQQXPEO-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1507633241 FBCIRNDMFGNKQZ-INIZCTEOSA-N 445.589 2.409 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](OC)[C@@H](C)CC 1507663949 DMLVXINDSIJACT-RXVVDRJESA-N 432.532 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ncnn1C(C)(C)C 1507671171 FEKVVQYLAINMDT-UHFFFAOYSA-N 441.543 2.374 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507808702 HMWSFJGMWWPDDU-IRLDBZIGSA-N 443.596 2.242 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1N1CCOCC1 1507970548 BHZIGWOINOOIBR-UHFFFAOYSA-N 433.516 2.433 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1507981027 IGZJCRCNXRCPIJ-LJQANCHMSA-N 433.578 2.093 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1NC(=O)CC1(C)C 1508038229 SAYHOJAMTSJEIM-KRWDZBQOSA-N 428.493 2.407 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C 1508079515 YCUYOOLYMMTPQR-UHFFFAOYSA-N 435.532 2.146 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1508079604 AEPAIZJLGOSYNT-QGZVFWFLSA-N 437.479 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(c2nccs2)CC1 1508144770 GPPNMQTYYPVPRI-UHFFFAOYSA-N 438.623 2.251 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)O1 1513544517 SYBZOYDEAMBWHM-HFJQGTKSSA-N 438.532 2.388 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1514138395 HMEHFODEROOGIP-SFHVURJKSA-N 429.546 2.257 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CCO1 1518938405 AFLUEODNZBKTPD-IBGZPJMESA-N 429.521 2.395 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 1535349621 IVIWRLKVZKIQFJ-SJCJKPOMSA-N 428.855 2.371 30 10 IEEE C=CCn1ncc2ccc(NC(=O)CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 1538658515 DKBLAIWXONFPBL-UHFFFAOYSA-N 429.458 2.390 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CS(C)(=O)=O)cc1 1539039207 ZSEOWIVINPQQDX-VDGAXYAQSA-N 446.573 2.053 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1539368713 BEMZORQBEFYXJS-SFTDATJTSA-N 441.601 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCOCC1 1539400604 IOPUVFSWYQLHAL-UHFFFAOYSA-N 435.528 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1539477149 IVCOUWAONPMQDO-OAHLLOKOSA-N 438.498 2.006 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCCOC1 1539526074 JCKOWLDFYMZQIF-MRXNPFEDSA-N 433.603 2.499 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1539562741 CIDWAJHNKQSFMF-JOCHJYFZSA-N 430.553 2.260 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1539599262 BXEYKLQYUDZACA-KGLIPLIRSA-N 433.372 2.094 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2c(C)nc3ccccc32)CC1 1539829042 SPMDFWQNVDOUGC-MRXNPFEDSA-N 443.577 2.403 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1540865714 PPBHNHPFCSHSGI-UHFFFAOYSA-N 432.488 2.194 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1540871269 HUWJRERRAAPXKQ-UHFFFAOYSA-N 430.513 2.115 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1540875788 XZSVTBVKOSBEDT-KRWDZBQOSA-N 427.505 2.230 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)(C)O)C1 1540889662 RCZONORNUYUBJD-INIZCTEOSA-N 448.593 2.181 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(C)ccc1F 1540897100 AGXPJHFTUIVRSB-UHFFFAOYSA-N 437.541 2.101 30 10 IEEE Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1542521618 IFYGCAHPBJHPBU-IAGOWNOFSA-N 444.561 2.174 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1545877663 IYEYTHPKBPOVCP-HSQYWUDLSA-N 448.543 2.367 30 10 IEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1547801466 FZYPSLSYBONGJQ-SJORKVTESA-N 433.557 2.413 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1554301235 WVRGVRXTLIPOFY-UHFFFAOYSA-N 435.532 2.324 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1570511616 BCYBMTPJCOLPIQ-QZTJIDSGSA-N 435.546 2.425 30 10 IEEE CC(C)Oc1cc(Br)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132828 VOUSFEAPTIQZOS-SJCJKPOMSA-N 427.320 2.247 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)nc1C 1585261514 NGLSCMSIFFELHC-DTWKUNHWSA-N 446.480 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)C2)C1 1586456269 MTAIZWPHHSKBGC-NURHGZAZSA-N 446.592 2.390 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1587568242 OXIZLJMVFGGBQU-SBUREZEXSA-N 435.532 2.326 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1587633403 UYNOGCXKVGIIET-JKSBSHDWSA-N 433.553 2.002 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC 1587856560 NGGRNTHZVGDHIN-KRWDZBQOSA-N 432.546 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1588073972 GNZINCXWQIZUGS-SFHVURJKSA-N 443.511 2.441 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCSCC)CC1 1588806145 HYGAAZYKIIPQSR-UHFFFAOYSA-N 437.573 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOCC(F)F)CC1 1588907707 DSYRCLRHFKNKAB-UHFFFAOYSA-N 447.486 2.201 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1589559781 UQACYCBHXHOQPZ-UWJYYQICSA-N 445.589 2.259 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccccc1 1589641593 MLMOHHNGVQGWDK-UHFFFAOYSA-N 427.534 2.116 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c[nH]nc3c2)CC1 1594013353 GDVOYVCLUADAMT-HNNXBMFYSA-N 429.550 2.164 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4C)CCO3)cc2C1=O 1595524653 LTMJAVOKWRAAHM-HXUWFJFHSA-N 433.508 2.408 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 1596875278 ZOFHCJBBQKUMAC-UHFFFAOYSA-N 445.273 2.212 30 10 IEEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1614276997 ODULBEVJDHDEGW-OAJJDEHYSA-N 431.504 2.315 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](CC)N1CCCC1 1616824443 JNVBMAGCCBQHHD-SFHVURJKSA-N 425.537 2.224 30 10 IEEE COCCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619811149 NACPRJXBYXIVGR-QGZVFWFLSA-N 435.536 2.467 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOCC1(C)C 1619988588 OKOWHHLIOPUIET-GOSISDBHSA-N 434.585 2.243 30 10 IEEE CN1CCN(C)CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 1620613448 GFGDVZNKHOKJND-UHFFFAOYSA-N 434.588 2.345 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C)c1cc[nH]n1 1628563360 JKRJPZTYFOUABE-AWEZNQCLSA-N 433.896 2.084 30 10 IEEE C[C@H](CC(=O)NC1(CC(=O)OC(C)(C)C)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1631973377 HJYMABWJKZAOKO-CQSZACIVSA-N 435.546 2.274 30 10 IEEE CC#CC[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1640795073 WKMHBYTVCRKHKG-UYAOXDASSA-N 434.583 2.130 30 10 IEEE CC[C@@](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)(C(=O)OC)c1ccccc1 1642548263 LWFNIUNIIFEVJQ-QFIPXVFZSA-N 443.525 2.048 30 10 IEEE CCOC(=O)c1nnn(C2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1C(F)F 1643355396 PRMKBJUAAHSUSY-QGZVFWFLSA-N 433.415 2.161 30 10 IEEE C=CCc1cc(CN[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc(OC)c1O 1658112177 OOJKDGHSHFRLJR-QGZVFWFLSA-N 431.533 2.439 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)c1 1660893591 ZHHRQWUNIFBDLD-MUUNZHRXSA-N 445.444 2.488 30 10 IEEE C=CCCn1cc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nn1 1663189052 JTJIHJFJBUJMQW-UHFFFAOYSA-N 446.577 2.087 30 10 IEEE C#Cc1cccc(CNC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)c1 1666460517 GFXOPKDWNRWPBK-UHFFFAOYSA-N 443.525 2.409 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)C1 1681434918 RTWHZGRVBLYVED-ULQDDVLXSA-N 426.521 2.335 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980054 KWPUZUCXRDQRQO-GOSISDBHSA-N 429.546 2.057 30 10 IEEE C#CCN(c1nnc(C)n1CC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1689980661 VWFOXDSMTYEMFE-OAQYLSRUSA-N 441.601 2.050 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1690022657 NRELICUDEUHEKI-UHFFFAOYSA-N 444.486 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1F 1690046775 GXCHMOKVKRWHNU-LJQANCHMSA-N 428.533 2.415 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCOCC1 1690088176 CUIJREZITHSMSA-MRXNPFEDSA-N 449.552 2.094 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1690523946 UMDGAHGQSURGKW-UHFFFAOYSA-N 449.559 2.463 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1690603621 GAIDIAYIWJYPPX-UHFFFAOYSA-N 444.601 2.405 30 10 IEEE C=CCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1690653074 AWHSILACOLJIQK-TXTKFYIRSA-N 432.613 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCOC2)C1 1690718791 AHZUBGAYPGXHMW-IBGZPJMESA-N 437.953 2.211 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1690742079 FVPUHZAHURENOI-CQSZACIVSA-N 439.545 2.180 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697777893 UQQVHXCCWNLSOW-FQEVSTJZSA-N 446.490 2.395 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1705540169 PFQZWBNBCNLTOY-NRFANRHFSA-N 436.560 2.429 30 10 IEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(=O)(=O)CC 1705610451 OSPKFWQMWPRGOH-UHFFFAOYSA-N 428.562 2.226 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705735581 BAVDUYSHQZSSIT-LJQANCHMSA-N 430.597 2.271 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1705737542 UIURGXBMVQLLKL-VQIMIIECSA-N 426.608 2.106 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705819710 SHMMEEMVYJZSIT-VQIMIIECSA-N 447.561 2.275 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSCC1 1705829204 KJOSSFJHFNECJH-UHFFFAOYSA-N 426.546 2.338 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](COC)C1 1705899237 MAROQQNFZACBNC-KRWDZBQOSA-N 441.532 2.271 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1705913095 DHQMELASTQENRJ-RTBURBONSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)C1 1705925866 VLEACXKKVIMFCJ-NLWGTHIKSA-N 446.573 2.429 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC[C@@H]2C)C1 1705928255 CFLUIUKBMZANRL-VQTJNVASSA-N 430.597 2.446 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1706553776 SBYSFNKYWDJVGP-QFIPXVFZSA-N 442.589 2.172 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1707333749 YCDLFXDOXUGWIX-FCHUYYIVSA-N 426.496 2.394 30 10 IEEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1707785738 PULONPQERQBFQF-IBGZPJMESA-N 445.593 2.296 30 10 IEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1722329966 NHWQUAXXTCDOPD-UHFFFAOYSA-N 447.543 2.087 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCN1CCOCC1 1722389335 HWKRDDHGOHCPJW-UHFFFAOYSA-N 436.516 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](COC)OC 1722402309 UHEKAVPQRJHUFC-CEXWTWQISA-N 445.564 2.173 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCSC1 1722420733 KVPHCFSTFQQOOR-JOCHJYFZSA-N 438.557 2.289 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722493604 JBZXLLPQGGKOGK-BGTYHANMSA-N 447.536 2.292 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1722627125 SGWZPAICBBBWAR-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1722698087 UIGMPSYKQKUVQS-UHFFFAOYSA-N 434.460 2.115 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOC[C@H]2C)cs1 1725355188 YZDYLOQTAGTCLM-IERDGZPVSA-N 429.594 2.485 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1728717904 ABFYJNKQKHMNLV-KRWDZBQOSA-N 435.488 2.492 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)CN2CCCC2)CCOC1 1728794092 FNKHRBROLAYVAF-VXKWHMMOSA-N 434.560 2.494 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1 1730762109 AFQXHQVNTKHVLR-LLVKDONJSA-N 443.455 2.119 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740576699 DHPCZHNTOHFUAI-UHFFFAOYSA-N 440.592 2.433 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1740701658 NXZGDUCWQTZANG-XMSQKQJNSA-N 446.555 2.455 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1740725113 MRLQKPWISDROTR-OPAMFIHVSA-N 438.557 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCSCCCO 1740728051 KKLAVDZGJCFQJS-OAQYLSRUSA-N 438.561 2.029 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740767068 MFLLCALJTDKZIL-KGYLXKDPSA-N 447.580 2.002 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1740772019 FZFFFXVVYZQYNI-SFHVURJKSA-N 431.562 2.225 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1740792053 DOPHFKYZDYJDKO-UHFFFAOYSA-N 447.967 2.410 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](COC)C1 1740987220 CKNJKZAEJOIIEC-KRWDZBQOSA-N 446.529 2.144 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](COC)C1 1740995369 JJYGWRXELNYVEB-KZNAEPCWSA-N 440.610 2.270 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1741137444 IPHDEOYZEGEJOU-ROUUACIJSA-N 442.589 2.336 30 10 IEEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1747765517 PUTYBEPVKKQEBN-UHFFFAOYSA-N 430.559 2.454 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC1 1748993490 ZNPIOBKHJVUEBF-GDLZYMKVSA-N 431.993 2.189 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1748993731 JRGRIXAWNCTATI-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1748993794 MCOQJOGYMOEZDS-HXUWFJFHSA-N 446.555 2.495 30 10 IEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749174568 VLKPCWXUGARPST-INIZCTEOSA-N 432.525 2.273 30 10 IEEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1S(C)(=O)=O 1749498884 MGMGMQOCIHOOEE-GOSISDBHSA-N 428.562 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1749721719 RZQSODVMPLGXHW-ROUUACIJSA-N 435.594 2.274 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1749777688 MMTYOFNQTBPNJN-QHCPKHFHSA-N 438.532 2.069 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC=CCO1 1749806069 GLVFPGBJLYRPHK-WOJBJXKFSA-N 436.516 2.099 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1751089245 DHRUNSXZKLGOQM-CQSZACIVSA-N 449.357 2.302 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760144262 JOAVBZUYPFMQEF-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760156943 YNANOVLEWAKBBV-UHFFFAOYSA-N 429.590 2.337 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1760167370 MMFWFRFOHGXMHX-UHFFFAOYSA-N 446.349 2.368 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760183628 CIKHURHZBJAQIG-HRAATJIYSA-N 434.537 2.118 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189055 NCLOSZJXDRRJJE-IBGZPJMESA-N 437.525 2.046 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H]1CSc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760192685 MAVQYDVEMIQFNK-IRXDYDNUSA-N 446.598 2.331 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760249860 BFELVZSVGPETGS-NZQKXSOJSA-N 428.508 2.432 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](OC)C2CC2)CC1 1760254733 IRORGQOEARWMSJ-OAQYLSRUSA-N 425.533 2.143 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCSC2)CC1 1760264243 GMZVLBNEBIYJAF-GOSISDBHSA-N 427.574 2.374 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1760270084 JEIOHVCXSSPQHK-GOSISDBHSA-N 438.551 2.472 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760323878 GJHNJKPSFPKWKL-UVFQYZLESA-N 430.578 2.282 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1760523802 IBNLBYHTSBAXBS-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N 1767843052 BROLWODGSYQMJD-CQSZACIVSA-N 436.607 2.421 30 10 IEEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1770170290 OUJDDYKHBNMKOZ-HXUWFJFHSA-N 444.511 2.130 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1771056253 PCJXRPRGTDVBSW-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@H]1C[C@H]1C 1771099878 CTIRVVKMQAWQOA-LZQZEXGQSA-N 429.546 2.286 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1851296072 ZHSPKMDCMGKKED-AWEZNQCLSA-N 445.398 2.248 30 10 IEEE N#CC1CCN(CCNC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)CC1 1852536196 ANFMEHNEDMQLPJ-UHFFFAOYSA-N 435.576 2.176 30 10 IEEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OC(F)F)cc3)C2)cc1 1854361726 KGBRMDHEZUZDLN-MRXNPFEDSA-N 438.408 2.250 30 10 IEEE N#CCCN1CC[C@@H](N2CCN(C(=O)COc3ccc(Cl)cc3Cl)C(=O)C2)C1 1855099032 XOUINYLIFGMRIZ-OAHLLOKOSA-N 425.316 2.031 30 10 IEEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855740112 OHPRNELWFHODHD-UONOGXRCSA-N 425.457 2.132 30 10 IEEE CCCOc1ccc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OCC 1860735533 XPYWPAAYGMOOPO-YRNVUSSQSA-N 446.525 2.420 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870142998 QQCSCEVCLOVIJO-CYBMUJFWSA-N 430.424 2.161 30 10 IEEE CN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2cccnc2)CC1 1870348664 HFTXUWXAFLMZAD-UHFFFAOYSA-N 429.524 2.490 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccn1 1874207489 NLVOZOHXLTWKMR-UFFVCSGVSA-N 431.319 2.486 30 10 IEEE COc1cc(/C=N/n2c(CCCOc3ccccc3)nnc2SCC(N)=O)ccc1O 1874317491 WMANRCQLCYDSQQ-YDZHTSKRSA-N 441.513 2.464 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2049163826 XSCRKCSYOCZGKX-MOPGFXCFSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CCC([C@H](O)Cn2cc(Br)cc(C#N)c2=O)CC1 2096030191 XVKLCGZBJVTZCU-OAHLLOKOSA-N 426.311 2.490 30 10 IEEE CN1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2224138307 ZDKDFQBPWUZXTO-INIZCTEOSA-N 432.374 2.026 30 10 IEEE CC=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404056 IFALWJSDBPMBSE-LBPRGKRZSA-N 438.359 2.057 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255654592 ZIHLBXHYOMYDJD-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255700810 IPVACTOTXLMRMH-ZBFHGGJFSA-N 431.342 2.395 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255871496 VSNZVGANWQKSTI-FZNQNYSPSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)CC1 2256628886 NXKRSYBKHXDXHW-UHFFFAOYSA-N 435.374 2.329 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]1C2 2267094576 HWYDXMPIQOWUCN-RRFJBIMHSA-N 446.357 2.227 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCN(Cc2ccccc2)C1 2267131256 ZAIYEMUIAAYWEZ-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267273735 QPJHAPFUOIHWHA-OALUTQOASA-N 434.349 2.122 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267515257 LWTGKFLHNQICRY-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267870837 IWGHLWQCQMYFEY-HKUYNNGSSA-N 436.365 2.416 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccn1C 2327827028 OMLRYQFYBHURIK-OAHLLOKOSA-N 445.593 2.232 30 10 IEEE COCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331305442 DIXAZCROZJVCGZ-UHFFFAOYSA-N 437.478 2.254 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=c1[nH][nH]cc1CNC(=O)OC(C)(C)C 2352397314 HGJIMOUZDFWRGX-UHFFFAOYSA-N 446.313 2.309 30 10 IEEE C[C@@H](CN(C)S(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 42459555 DWFXKVQRCIDDRW-ZETCQYMHSA-N 429.134 2.215 30 10 IEEE C=CCS(=O)(=O)[C@H](C)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 71542094 PEYALQMZEYWFLI-BEFAXECRSA-N 439.530 2.446 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 107787958 HSUKXSRETCIBKK-UHFFFAOYSA-N 429.952 2.131 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2csc(N3CCCC3=O)n2)cc1 109935154 XMPNHLSRHIKTQT-INIZCTEOSA-N 441.538 2.224 30 10 IEEE COC(=O)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(-c2ccccc2)cc1 409568803 ZESVBUCWRNQCNY-PMACEKPBSA-N 429.498 2.017 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1 410040919 KFFHUMLVGOOIMB-UHFFFAOYSA-N 447.944 2.279 30 10 IEEE COC[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)NC(=O)C1(c2ccc(C#N)cc2)CC1 438368384 SJZLXTNHXVCLIN-JOCHJYFZSA-N 442.519 2.441 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 462086423 XFYBRKWBYVTYNO-TZIWHRDSSA-N 431.500 2.143 30 10 IEEE COCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 483087136 SJKOTYIMMLRXLM-UHFFFAOYSA-N 427.505 2.281 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3cc(F)c(N4CCOCC4)cc3F)CC2)n1 494067173 VTAYQPOVWRPXIT-UHFFFAOYSA-N 428.443 2.422 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(Oc2cnccn2)CC1 508464063 KQGGEFXKPWQISV-UHFFFAOYSA-N 444.499 2.216 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](COc2ccccc2)C1 508494919 RWOQYRPHEKQGLP-NRFANRHFSA-N 444.499 2.391 30 10 IEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 508945069 ITVVUNGTAGXZFG-UHFFFAOYSA-N 437.552 2.149 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cnn(CC)c3)c2=O)c1 523865274 SXRINNIHPYYWJZ-UHFFFAOYSA-N 448.548 2.386 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C 531852251 VFBLFRYQWPWHPA-UHFFFAOYSA-N 442.500 2.027 30 10 IEEE C=CCn1c(SCC(=O)N2CCN3CCOC[C@@H]3C2)nnc1-c1ccc(Cl)cc1 541754860 CZDNYMZEJMGEBH-KRWDZBQOSA-N 433.965 2.420 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)n1 543034320 ITKFAFSKDMXGSN-KRWDZBQOSA-N 448.870 2.258 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 549825162 UAAFNNSRWZFUPQ-UHFFFAOYSA-N 432.492 2.487 30 10 IEEE N#Cc1ncn(CCNC(=O)N2CCC[C@@H]2c2ccc(I)cc2)n1 554296082 FYGSPXQIXCNSAK-CQSZACIVSA-N 436.257 2.301 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(C#N)c(OC)c3)C2=O)c(OC)c1 555159992 AMDHYDBXEMURSU-LJQANCHMSA-N 438.484 2.184 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 558020142 ANNSCYKBZNJPHQ-ZDUSSCGKSA-N 449.309 2.003 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 568698434 LHWKMQHGVMXPIX-PKOBYXMFSA-N 432.546 2.170 30 10 IEEE N#CCCCCS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 577311652 OALPJGMBBROSSX-UHFFFAOYSA-N 432.468 2.285 30 10 IEEE CC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 586860064 RGNHHCGCIWOTOM-YADHBBJMSA-N 438.503 2.109 30 10 IEEE COC(=O)C(C)(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 610825140 ZTRCCBNLEUHRIT-BEFAXECRSA-N 443.525 2.282 30 10 IEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)c1C 728557371 LKPCJYSQBNPGNM-UHFFFAOYSA-N 448.592 2.424 30 10 IEEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)(F)F)cc1 730139441 QBSOHTKGZMUWJW-HNNXBMFYSA-N 442.463 2.218 30 10 IEEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730142347 OHUFAHSCMSTJSQ-MRXNPFEDSA-N 426.970 2.376 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H](C)OC)c1 730144179 HUKHJOZZNJEZHU-LPHOPBHVSA-N 430.574 2.092 30 10 IEEE C#CCN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 731212793 FPVXGNRPEAJRQY-GMAHTHKFSA-N 428.529 2.496 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cc3c(nc2O)CCC3)C1=O 733077735 KCDYYHRZBSVAQT-GOSISDBHSA-N 435.509 2.415 30 10 IEEE O=C(NC[C@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1 733889818 BMHUQSXWGQFCRI-QBEKEKFNSA-N 425.489 2.106 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 734974715 UOJBUXWRUUAPAA-LJQANCHMSA-N 429.498 2.169 30 10 IEEE NS(=O)(=O)c1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)NC2=O)c1 743277687 SHUWVZDVVWKTSB-CQSZACIVSA-N 438.918 2.235 30 10 IEEE C[C@]1(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CCCN(C(=O)c2ccccc2)C1 744008029 ZJTBISIGWGEHRN-QFIPXVFZSA-N 425.510 2.447 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)ccc2c1=O 753154579 PWGIWDKENGALHR-KRWDZBQOSA-N 435.509 2.192 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)Cc2cccc(I)c2)cc1 761002484 FECNRKYICJTKBA-UHFFFAOYSA-N 440.262 2.352 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 774029222 MCBULOZBUXVNCS-OAHLLOKOSA-N 425.938 2.380 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 777293350 HFMRHXZIUWMMKO-OAQYLSRUSA-N 445.472 2.255 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(Cc4ccc(O[C@@H](C)C#N)cc4)CC3)C2=O)n(C)n1 780789936 NVGIPGRCCSHSPW-UGKGYDQZSA-N 436.560 2.333 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1 782580328 YHYGAUGQSXAZPO-HIXSDJFHSA-N 448.589 2.473 30 10 IEEE COC(=O)N1CCC[C@H]([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 788674151 CDTDWKYXXDQJFE-YPMHNXCESA-N 430.324 2.466 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)n1 790106171 UVVSPKOMSSLHQA-LJQANCHMSA-N 446.960 2.360 30 10 IEEE C=CC[C@@]1(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C 790650355 NWVSMBCIHMXFQH-QFIPXVFZSA-N 447.536 2.026 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2cccc(Br)c2)N(CCF)C1=O 797807833 NRGGNNUXNFSQJN-AWEZNQCLSA-N 445.358 2.418 30 10 IEEE COCCn1c(CN2CCN(Cc3ccc(Cl)cc3)CC2)nnc1N(C)C[C@H](C)C#N 802529436 DGFBUTKUUINGNH-GOSISDBHSA-N 445.999 2.492 30 10 IEEE Cc1cc(N2CC[C@H](OC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2=O)n(C)n1 803866251 WWGYEQDUYQJYGF-IBGZPJMESA-N 425.464 2.304 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 805782296 JHKBPWZTSQWKEQ-NRFANRHFSA-N 446.617 2.458 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 807923981 VSRNDQSEHFHHAV-NRFANRHFSA-N 434.496 2.109 30 10 IEEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccsc2)n1 807940648 XDRCSENMYHFTNQ-NSHDSACASA-N 432.453 2.077 30 10 IEEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CCOCc3ccc(C#N)cc3)C2=O)cc1 808465305 WPDLRNNKYKTKMD-XMMPIXPASA-N 434.496 2.309 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837286335 VUVNKBDUDMONTC-UHFFFAOYSA-N 439.500 2.062 30 10 IEEE CCc1ccccc1-n1cnnc1SCC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916178639 HNIWBWOWQZMWJM-UHFFFAOYSA-N 441.538 2.440 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)C2)cc1 916775458 ABFCRDZPIHSMFM-LJQANCHMSA-N 425.510 2.365 30 10 IEEE CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 916942842 OAIUEUBYZYEKND-SFHVURJKSA-N 432.436 2.000 30 10 IEEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 918960717 ANLLGGPTWPYKEV-QGZVFWFLSA-N 435.480 2.290 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1083866632 OJIWQVGUFLEKCA-UHFFFAOYSA-N 428.522 2.096 30 10 IEEE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 1125383012 PTKUHYFHGFIEKW-UHFFFAOYSA-N 431.456 2.377 30 10 IEEE COc1nn(C)cc1CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1158912978 LUHQSFHDCLOIAU-SFHVURJKSA-N 425.489 2.451 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1cccs1)C1(CO)CCC1 1163484391 CCKIPMVNDBXELS-KDOFPFPSSA-N 433.555 2.307 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]32)cc1 1170363761 AUGCPJVYTSQXGB-BHIYHBOVSA-N 445.338 2.429 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1190420215 HTPIVJIAUMTSRL-OLZOCXBDSA-N 436.347 2.055 30 10 IEEE CC(C)(CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1COCC12OCCO2 1203304018 FKLPKNBIODGVOJ-QGZVFWFLSA-N 429.452 2.420 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)[C@@H]1CCCO1 1226724590 LJKQLCZMSMGZJI-PMACEKPBSA-N 433.574 2.181 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N1CCOCC1 1286272408 BTFDHODSFMFUOQ-KRWDZBQOSA-N 433.516 2.042 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)C2CC2)c1 1286308570 BFPSIKGKQXPIBJ-KRWDZBQOSA-N 446.559 2.218 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1286336880 QAVSEAGWBCEUOR-UHFFFAOYSA-N 425.533 2.264 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1286394743 PFTUTTRBRWJFOF-KURKYZTESA-N 448.614 2.349 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)cc1OC 1286400541 HUFPJTOFCIYMTE-XMMPIXPASA-N 438.528 2.457 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1286468538 AHRBBYQNKOQSHY-FQEVSTJZSA-N 439.560 2.475 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)(C#N)CC1 1286501254 RAOWZZTXQVKWHT-UHFFFAOYSA-N 433.545 2.417 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286548919 UTRDTAJWALVMDX-OTWHNJEPSA-N 446.596 2.140 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286781608 VLWWBOVRQCIKNG-MRXNPFEDSA-N 428.512 2.082 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)C1 1288976292 WNMRBAZDOHQSSQ-VGOFRKELSA-N 439.520 2.251 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1291415720 OSGZTHTUTMDCAT-YLJYHZDGSA-N 447.547 2.389 30 10 IEEE C#CCCN1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1293932163 GRLMACJRSJSKHN-OAHLLOKOSA-N 429.995 2.159 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1295312661 GJHYLRWWUTXHNR-LJQANCHMSA-N 426.521 2.331 30 10 IEEE CN(C)c1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1298052922 GBKJQCANMVYHFZ-IBGZPJMESA-N 442.589 2.229 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1300404049 UWGGBSOSBFNJOD-IBGZPJMESA-N 426.565 2.308 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C)C(C)(C)C1 1300449509 SKLWBSORVBUBGJ-UHFFFAOYSA-N 426.565 2.058 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1300596772 WIBRLHDJSXMYNE-QGZVFWFLSA-N 432.569 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](Cc2ccccc2)OC)CC1 1300719519 DVZZHOJLPNEYDP-NRFANRHFSA-N 446.555 2.497 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)C1 1300898744 ZZCXXFUKKSSEPH-XMSQKQJNSA-N 425.533 2.425 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1300983685 MMVXMMLSQLOQTP-KRWDZBQOSA-N 426.525 2.422 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301251775 IANPFKQHVATHAB-HZPDHXFCSA-N 432.550 2.165 30 10 IEEE C=CCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301474322 ZFHXLHSNOPAWEU-QFIPXVFZSA-N 429.496 2.497 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1 1301500826 PTLQZICLJBUPJI-OAHLLOKOSA-N 446.349 2.409 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1301508772 UJZQOQDRKOIALK-UHFFFAOYSA-N 440.523 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301569558 ZDKDIFDFXAHDRC-DLBZAZTESA-N 425.599 2.133 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1303878796 STFVEHHLJYIBTM-UHIISALHSA-N 446.455 2.036 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCCCC1 1313027031 OERFJWCUCAPNDN-UHFFFAOYSA-N 426.489 2.455 30 10 IEEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1315668598 AIXWWNDMSPZTEJ-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)c1 1316530024 SODNUYSFSNMXBX-MRXNPFEDSA-N 446.433 2.443 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1=Cc2cc(Br)ccc2OC1 1351734803 CENRJXXWYILPEQ-UHFFFAOYSA-N 430.262 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2CCOCC2)CC1 1359043406 SSXOZMVXNRMMIQ-UHFFFAOYSA-N 437.544 2.346 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359085251 HKBIGTDNNYOWBD-FQEVSTJZSA-N 447.381 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@]1(OC(C)C)CCOC1 1359106266 ZMZICRVLKXMUDR-LEDOBFOHSA-N 449.596 2.261 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nncn2C)CC1 1359172598 ALTLBANWEDHXJM-UHFFFAOYSA-N 440.939 2.441 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)CC1 1359293820 AQUKFIQLKQTUCN-UHFFFAOYSA-N 444.967 2.202 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C1 1359311494 BTGKTDKBXZPATO-GOSISDBHSA-N 425.537 2.193 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)C1 1359321454 GKTHLASISOETGF-CVEARBPZSA-N 437.591 2.083 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCOC[C@@H]1C 1359329677 QNVQZRXJHALMKB-INIZCTEOSA-N 427.530 2.319 30 10 IEEE CC(=O)NCCCn1c(CCCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359461051 JZYQFNJOARIFEH-QFIPXVFZSA-N 435.576 2.156 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1cnn(Cc2ccccc2)c1Br 1442497194 MMGZUASIDASIGY-UHFFFAOYSA-N 446.349 2.382 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CCN2CCOCC2)c1 1443407417 KRPCPMQQXUFNCM-INIZCTEOSA-N 427.933 2.190 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1455096295 FJSAYKWJXIZMLL-UHFFFAOYSA-N 434.315 2.096 30 10 IEEE C[C@@H]1C[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1c1cnn(C)c1 1457094411 XMLHPCWNEFOMHW-OIISXLGYSA-N 432.525 2.007 30 10 IEEE CCO[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C 1460350058 BNMGYWMBSZODJE-IEBWSBKVSA-N 437.562 2.194 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)cc1 1464274360 VEEVCHIOTBSVSN-HRNVMRTQSA-N 444.488 2.388 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1B1OC(C)(C)C(C)(C)O1 1466101058 DKYCXXBUKNCSFZ-IBGZPJMESA-N 449.316 2.297 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)[C@H](C#N)C1 1466568397 BNNOBCFQCMLIOR-BXUZGUMPSA-N 426.470 2.110 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1494621782 IKGWWCGCFCAMOY-IERDGZPVSA-N 429.546 2.476 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1499697079 MRRHOZHIUVTUMY-IRXDYDNUSA-N 439.545 2.137 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1(C)C 1504519867 NPIWMEBMDCFZQN-LJQANCHMSA-N 438.532 2.116 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CC1 1505325737 WVRXQAYADAXPTM-AWEZNQCLSA-N 448.453 2.411 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507543968 XYOZMXQJWHVWFM-AWEZNQCLSA-N 440.495 2.018 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCCOC 1507649573 YRFJTBATBAMRFK-UHFFFAOYSA-N 426.480 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCC1 1507670829 VVMCTOJRCQFIFV-UHFFFAOYSA-N 428.533 2.438 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[S@](=O)C(C)(C)C)CC1 1507725437 WAZNYLUJPPZMEH-PMERELPUSA-N 429.590 2.256 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)C2CCCCC2)CC1 1507731200 CUDWOLVEMYXVOQ-FQEVSTJZSA-N 428.581 2.066 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507750372 SEABYRJBUABMQT-KRWDZBQOSA-N 430.578 2.067 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507849455 XCTFBXASYNYKFX-DENIHFKCSA-N 435.569 2.016 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507913211 PFDNITHAJWFGHU-LJQANCHMSA-N 438.580 2.080 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508130037 GFSADINPIMWSJU-MRXNPFEDSA-N 440.614 2.023 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1517411260 DERRJFYNGXBNEP-RBUKOAKNSA-N 448.369 2.232 30 10 IEEE CN(C)S(=O)(=O)C[C@H](OC(=O)Cn1nc(C(F)F)cc1C(F)F)C(F)(F)F 1534729268 HZRMASXGSOZLAC-QMMMGPOBSA-N 429.314 2.124 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCC(=O)N(C)C)c1 1539046270 PCTAIHSCLSXBMS-LJQANCHMSA-N 438.532 2.054 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539216672 VLKMIDCBXKLKNE-DENIHFKCSA-N 428.558 2.080 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ncccc1C 1539238062 PZYNZMAYISYCKB-UHFFFAOYSA-N 447.568 2.371 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539263181 AHRWOQGZRZXTAO-RTWAWAEBSA-N 437.544 2.220 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](OC)[C@H](C)CC)CC1 1539459271 BUBONNAEQXRBRL-QZTJIDSGSA-N 444.605 2.086 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539787681 RLNQPQPFONMGBD-UHFFFAOYSA-N 430.896 2.227 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(N)=O)CC1 1540028582 PZJGXYNEXYMOFT-UHFFFAOYSA-N 427.505 2.358 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1540036706 SGXLGOHNEQXEBB-GOSISDBHSA-N 446.573 2.344 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540880570 KNWGVDGQYIPVOB-FXAWDEMLSA-N 425.533 2.452 30 10 IEEE CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1545814705 FUVRKDXHXQPCFP-QHAWAJNXSA-N 446.596 2.385 30 10 IEEE COc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1554874846 PTDAPRHODBQVHT-AHRHJZQMSA-N 440.479 2.274 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1557243563 VCNBRPHBTYCRGB-KRWDZBQOSA-N 430.505 2.346 30 10 IEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)[C@H](C)COC 1557472461 WDNBQGRODZZLRW-MRXNPFEDSA-N 443.997 2.329 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccncc1Br 1558215332 STOFYHPQYKKFKO-VXGBXAGGSA-N 437.319 2.260 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]([C@H]3CCCO3)C3(CO)CCC3)ccc2c1=O 1570781863 AJJHIWNXOIYBIS-MSOLQXFVSA-N 429.542 2.311 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)c(O)c1 1583958077 XNBUEHNXIYBIBJ-HIFRSBDPSA-N 441.406 2.257 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 1585305225 QJBBPFFZRBHNBI-UHFFFAOYSA-N 428.510 2.405 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CC(F)(F)CO2)c1 1587697132 KHGKLFLAHLSIQU-QGZVFWFLSA-N 433.459 2.295 30 10 IEEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1587793077 GCJRPAQYTMIJPB-OYRHEFFESA-N 444.624 2.245 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)c1ccc(OC)cc1 1588138277 BNIHMGHNSDCVQE-QUCCMNQESA-N 440.569 2.455 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588154604 GDEKUAUWNVWXKK-IBGZPJMESA-N 435.528 2.487 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC[C@@H]2CCCCO2)CC1 1588877118 VXYYHGSONPVQOB-ACRUOGEOSA-N 431.581 2.107 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1595466672 LGOSGOJRICTPCW-LJQANCHMSA-N 438.532 2.166 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)CC=C)C1 1595699633 GDGYHUATNVDNJI-QGZVFWFLSA-N 446.529 2.056 30 10 IEEE C=CCN(C(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1597171036 SNZWVBWVOSQALL-LSDHHAIUSA-N 438.550 2.058 30 10 IEEE CC(C)NC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1610188361 PUARNZATSCMIOY-HNENSFHCSA-N 429.569 2.069 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(C)cc2)N(C)[C@@H]1C 1613902912 GVJJTLHLJYQCKY-MMHGPVSCSA-N 426.560 2.430 30 10 IEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)s1 1613903985 CVIXYILSXNAJNR-HNNXBMFYSA-N 436.545 2.371 30 10 IEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NC(=O)c5ccccc5)CO[C@@H]34)n2)c1 1616132847 NVEDZPPSPQIZLA-CBPXPLCBSA-N 427.464 2.392 30 10 IEEE N#Cc1cccc(CN2C[C@@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)c1 1616153542 OKYUWYVHPHRJSQ-HKUYNNGSSA-N 442.472 2.362 30 10 IEEE CSCC[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)c2ccccc2C1=O 1617948135 YWFNMQZLLBEVLM-SFHVURJKSA-N 428.510 2.269 30 10 IEEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1620077909 IQHDAYGALMFQIB-UHFFFAOYSA-N 438.488 2.177 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3cccc(OC)c3)CC2)ccc1F 1623676843 BDXUQDLHHSZDKA-UHFFFAOYSA-N 447.532 2.257 30 10 IEEE C#CCN(CC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C 1631180587 PEQCMSDVBUEKPV-UHFFFAOYSA-N 438.546 2.188 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1636553438 AXZUZNSCEJHFKE-UHFFFAOYSA-N 432.521 2.330 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCO[C@@H](CNC(=O)OC(C)(C)C)C3)cc2C1=O 1637501923 YDXOYPMSPKZLFH-INIZCTEOSA-N 443.500 2.224 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)C1 1638075690 STLPCPNSSLCECQ-GOSISDBHSA-N 437.496 2.489 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)c3ccccc3OCC#N)CC2)C1 1639931257 BVUPQKNNLJUUKE-INIZCTEOSA-N 427.501 2.384 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1640795066 WKMHBYTVCRKHKG-AZUAARDMSA-N 434.583 2.130 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C#C)c2ccc(Br)cc2)cc1 1641517311 GEJBNFWIDYHSHT-SFHVURJKSA-N 431.311 2.465 30 10 IEEE C=C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1642069628 ICVWZAYNRUIFSV-DGCLKSJQSA-N 427.375 2.057 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1643213891 BIPSHIMFLFBJFT-HOTGVXAUSA-N 427.542 2.456 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 1645159294 SFNFVSRVKPJFOH-NRFANRHFSA-N 432.528 2.033 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCN(c3ccncc3)CC2)CC1 1646433961 IFGULLSXWUSAKW-HSZRJFAPSA-N 436.535 2.142 30 10 IEEE Cc1ccc(-n2c(C)cc(C(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)c2C)cc1C 1653037048 LZZIPSYHLNXNBV-UHFFFAOYSA-N 434.496 2.090 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 1653782076 NJVRQQZWPBZKPY-PMAPCBKXSA-N 442.564 2.275 30 10 IEEE CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1660335523 FRQYKAYTKPTBKM-GHMZBOCLSA-N 439.328 2.094 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)cc1 1667322865 XIUYEXSECMTCQQ-APWZRJJASA-N 433.534 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CN(C)C 1690043806 OKBWCSFCCCPCLU-UHFFFAOYSA-N 445.571 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)Oc2ccccc2F)CC1 1690152561 PLEBHCZAGUKPCD-KRWDZBQOSA-N 443.523 2.387 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1690176933 DEFHHYLWOXQMIL-HNNXBMFYSA-N 433.528 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC 1690190564 ZAXGAMLAPRIIHO-JOCHJYFZSA-N 442.951 2.332 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1690257802 UYZUGEISSJVAKA-FQEVSTJZSA-N 426.583 2.298 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690437493 FSGZEGKASHJTBN-SFHVURJKSA-N 426.569 2.298 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCOC1 1690567395 BSNVLWQXWXFVSN-JTAQYXEDSA-N 428.533 2.346 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCCC(=O)NC 1690662123 RVUKWWGRDTZMMJ-UHFFFAOYSA-N 435.532 2.066 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1 1690683251 FXQTZOGVNCLXEV-KRWDZBQOSA-N 434.587 2.347 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691477214 KHQAHNZTYRIHAJ-NRFANRHFSA-N 446.559 2.156 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCCO1 1693782201 CMOROBMUEPOPBE-AEFFLSMTSA-N 429.546 2.257 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CC(C)(C)O1 1693834325 QGVAUBHYLJRUIS-SFHVURJKSA-N 442.564 2.311 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)C[C@H](C)C#N)CC1 1695866614 AAASRUUCKXAUIO-QZTJIDSGSA-N 439.564 2.296 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)cn1 1696863831 XISMHUDKGYZKNL-DENIHFKCSA-N 426.569 2.046 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(F)(F)F 1697132787 PZIIXCBRXFXIBW-BBRMVZONSA-N 436.438 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(-n2cccn2)cc1 1705571904 KQVJQOYDLLNBBZ-UHFFFAOYSA-N 427.512 2.015 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705673267 VBXAUEUZASAJBY-MZLICYQSSA-N 442.608 2.455 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CC2)C1 1705722777 ZEXSFUUYEZOYDJ-UHFFFAOYSA-N 431.562 2.388 30 10 IEEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1705728978 GOQAGCOBGLLXKN-GOSISDBHSA-N 440.614 2.195 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1705735881 XUYHWZCLMXELME-FUHWJXTLSA-N 449.577 2.220 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCOCC1)C(C)C 1705867586 QMFDBHADOJVUCH-FQEVSTJZSA-N 430.597 2.439 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1705876042 NMNIBUBZAHCWGZ-LJQANCHMSA-N 428.558 2.480 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1705895104 UFNZFRSQHXDHKG-WBVHZDCISA-N 428.924 2.152 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705942756 CIRHCCQYXYOSDN-SFHVURJKSA-N 444.609 2.180 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCOCC1 1706076746 HIJFYODLYRDREN-RTBURBONSA-N 436.564 2.081 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C2CC2)C1=O 1706462817 JXCIKNBTFDZVCB-QHCPKHFHSA-N 441.580 2.291 30 10 IEEE CC[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1708326909 HDXFIVHVONWUGA-VGSWGCGISA-N 448.568 2.487 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1708612251 CSLVQJSVQFYILD-AZUAARDMSA-N 438.580 2.453 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1711579092 GFIUTVHONFVITG-OAQYLSRUSA-N 440.548 2.458 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1Cl 1722383973 SAIABOCOHPAPLM-INIZCTEOSA-N 434.924 2.288 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1722436520 IJWHKDONUKFHOY-VQTJNVASSA-N 446.596 2.436 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccs2)CC1 1722461042 BGLFOMBCPPIQRC-UHFFFAOYSA-N 430.603 2.155 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1722466085 ZDWMOIWMPLLNRV-QGZVFWFLSA-N 427.574 2.453 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722608623 IQBAXWKXVYYKNO-QFBILLFUSA-N 444.561 2.304 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1722630079 UXNNPIMSFSLQAD-AWEZNQCLSA-N 445.383 2.262 30 10 IEEE C=CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1)C1CC1 1722651371 SQKIEHYIASUCPC-GOSISDBHSA-N 425.533 2.452 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](OC)C(C)C)C1 1722717361 JJGCRCFDQFMDAA-WOJBJXKFSA-N 438.536 2.373 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1723629703 APFWURORCRSOIV-QFIPXVFZSA-N 436.495 2.487 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)C1=O 1729593207 CYLOWXGWIGXKSL-WZONZLPQSA-N 438.532 2.070 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740565296 QTLBETBZMOACFA-UHFFFAOYSA-N 438.507 2.310 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740569985 MVBOPYHIYVBSQK-KRWDZBQOSA-N 449.519 2.001 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740572020 XVQZQTRRBSUVDC-KRWDZBQOSA-N 426.546 2.057 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740619365 ICAVYAGXAXSGJA-LJQANCHMSA-N 441.557 2.259 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccoc2)CC1 1740691918 CKJHLDGKFOSDRV-UHFFFAOYSA-N 429.322 2.443 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCOC[C@H]2CCOC2)CC1 1740693970 SRRSPCOQSKVRAV-LJQANCHMSA-N 427.524 2.283 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740716008 RSRWXHPBDBMUAK-SFHVURJKSA-N 439.593 2.170 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCCOCC)C1 1740756217 FWKVWXQLOPVNCJ-HBFSDRIKSA-N 428.537 2.348 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1740794694 GMVCHOLOBWHGPB-QGZVFWFLSA-N 433.582 2.251 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1740976692 YXGLQEDYGGUABU-IBGZPJMESA-N 435.532 2.442 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](C)N2CCOCC2)cs1 1742575924 WNLAZSUVGOGYKH-MRXNPFEDSA-N 429.594 2.485 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1745681284 FYGFOWAQJIYKDX-VQIMIIECSA-N 425.493 2.314 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1745779256 LMVDKSIITUNWDQ-UHFFFAOYSA-N 448.531 2.356 30 10 IEEE CCN(CC)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1746122703 CXRZBCGGNAEYTN-VZCXRCSSSA-N 429.569 2.239 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOC2CCCCCC2)CCOC1 1746732921 CKCZTBCEOKMSPU-DENIHFKCSA-N 433.553 2.398 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1747964541 FXDNBWOWTGHDEZ-IBGZPJMESA-N 439.545 2.117 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](OC(C)C)c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748804413 HIMBHVAZBNDKPL-GHTZIAJQSA-N 446.573 2.388 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748824564 QHRGNXGNIGLVDZ-IEBWSBKVSA-N 432.521 2.252 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CC=CCC1 1748922802 MOWKXESUADZLSH-UHFFFAOYSA-N 431.544 2.396 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749037908 ILVRHCNFPBWNEC-SFHVURJKSA-N 440.548 2.486 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749457336 JXLCPHNUZLBQLX-UNMCSNQZSA-N 446.640 2.448 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)(C)C)CC1 1749677934 PRSLHGBWKUHCDS-UHFFFAOYSA-N 429.569 2.226 30 10 IEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1749685230 BQOLQOMYTLKREL-UHFFFAOYSA-N 425.533 2.139 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NC(C)C)C1 1749703801 PBPFYAIQKJOEEF-KRWDZBQOSA-N 427.505 2.370 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1749756590 ZZMVZGDVBLOXMS-HXUWFJFHSA-N 445.589 2.478 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1COc2ccccc2O1 1749830540 MOXBLWHLAXCQDZ-ROUUACIJSA-N 427.505 2.379 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(F)c(F)c1F 1751202280 MEBWJTTWCZETCQ-NEPJUHHUSA-N 444.483 2.287 30 10 IEEE C[C@@H]1CCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1752194636 CBPQZYHLSRRYCI-FOIQADDNSA-N 431.541 2.196 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC[C@H](C(F)F)N1CCOCC1 1760215800 NSOZVKBHZZUKJV-GOSISDBHSA-N 430.503 2.103 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)CC1 1760278765 GRGUOMZYBBHJOI-UHFFFAOYSA-N 435.557 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1760326303 VRSNAFROHVFTNX-RXVVDRJESA-N 446.573 2.116 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NC(C)C)CC1 1760383077 GQRZGHAAVKPVFN-UHFFFAOYSA-N 445.593 2.228 30 10 IEEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1760475920 ZCPZIJNZJIPDKX-ICSRJNTNSA-N 432.613 2.183 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C(=O)NC)C1 1760546353 NHZMWQDDNLFHFV-GOSISDBHSA-N 427.549 2.431 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(CC)C2)C1 1760549738 LQFYCCSWYMIHKF-QZTJIDSGSA-N 444.605 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC=C(COC)CC1 1760552446 NVVPHCUBLBCBJB-UHFFFAOYSA-N 432.546 2.337 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1765281277 HVICITFXIXRRMC-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1766813674 ALHWNZVNUHPULX-GOSISDBHSA-N 429.546 2.399 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1 1767228325 AFRBVTICMIZOPI-UHFFFAOYSA-N 440.895 2.358 30 10 IEEE COCCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1771021004 VJEUZGZHCGJSQG-LJQANCHMSA-N 442.568 2.187 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(S(C)(=O)=O)cc1 1771278390 BICDOQHZROJWKO-IEZWGBDMSA-N 447.561 2.192 30 10 IEEE CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1772852143 BVRWCJXHFOSHAY-CQSZACIVSA-N 437.342 2.326 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1848991683 WXQRFWJIQZAHHW-GOSISDBHSA-N 448.479 2.352 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1snc(N2CCOCC2)c1C#N 1851431435 CLSYOIZZBZMIEV-ZDUSSCGKSA-N 429.477 2.006 30 10 IEEE COc1cccc(-c2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)n(C)n2)c1 1851921652 OZXBVWBSZNKFSU-UHFFFAOYSA-N 446.511 2.341 30 10 IEEE Cc1cn2c(=O)cc(CO[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc2s1 1852820717 IEPACEJOZHHSDF-FQEVSTJZSA-N 440.525 2.233 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)CN1S(=O)(=O)c1cccs1)[C@H]1CCc2ccccc21 1852878816 UIVJGGMFJJWQIG-OALUTQOASA-N 428.535 2.230 30 10 IEEE CS(=O)(=O)N(C1CC1)C1CCN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)CC1 1853274353 LSEUYJBTCQPGMQ-UHFFFAOYSA-N 430.574 2.190 30 10 IEEE Cc1ccc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)c1 1855809567 IKWOUPYFWNJWBF-KRWDZBQOSA-N 425.510 2.166 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)CCC#N)[C@@H](C)C2=O)cc1 1856292415 HRFXECPQNMNSBO-SJORKVTESA-N 434.562 2.082 30 10 IEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)/C=C/C(=O)O)sc2c1CCCC2 1858722710 QDOUKSLBXRRCGH-BQYQJAHWSA-N 426.454 2.490 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc1 1862606878 BSLNCHVLFIIRQC-RBZFPXEDSA-N 425.437 2.426 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc([N+](=O)[O-])cc1 1864984200 AVMONCWBVGDJFM-GOSISDBHSA-N 432.440 2.481 30 10 IEEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CSc1nnnn1C 1870175219 IBYMQGLOOHIFSR-UHFFFAOYSA-N 437.485 2.078 30 10 IEEE C=CCOc1cn(CCOCCO)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870387055 OGHPJGAHZFSUFL-UHFFFAOYSA-N 447.963 2.398 30 10 IEEE C=CCn1nc(C)c(I)c1C(=O)N1CCC(C(=O)OCC)CC1 1871336330 LEQBLBHVBOICNH-UHFFFAOYSA-N 431.274 2.397 30 10 IEEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619414 LWKNCKKAFHIMCZ-UHFFFAOYSA-N 426.525 2.058 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)CC1 1889383940 YOXUFSNPHBPLQO-DEOSSOPVSA-N 425.573 2.029 30 10 IEEE COc1ccc(CN2C(=O)CCC[C@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1892280488 UVACZYKOYQHLFI-NRFANRHFSA-N 433.512 2.192 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@]1(CCOC)CCN(C(=O)OC(C)(C)C)C1 2006231774 PMNMTIBBQGFHDM-OAHLLOKOSA-N 427.361 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2060639138 FFKPIYNUIZABIU-KGLIPLIRSA-N 432.330 2.264 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@]4(CN(Cc5ccccc5)CCO4)C3)nc2)OC1(C)C 2116072348 CACXVAOOHUUMCV-DEOSSOPVSA-N 436.365 2.257 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229108060 RPCHDWBDINUFRU-HOCLYGCPSA-N 425.323 2.385 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2237388766 ZCGPJJHQYWXOTD-OXJNMPFZSA-N 437.334 2.482 30 10 IEEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255627273 QIVXNWQKQHACDF-OAQYLSRUSA-N 434.346 2.132 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255654945 GDVJIIZMSWBPPO-NEPJUHHUSA-N 430.232 2.250 30 10 IEEE Cc1nc(NC(=O)C2(C)CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256620153 FRENYFDRBAXDSC-UHFFFAOYSA-N 432.330 2.280 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267146987 QYWOVDXNULWFEQ-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1NC(=O)OC(C)(C)C 2267267376 WAWFDPFPWCJTAK-ROUUACIJSA-N 446.353 2.350 30 10 IEEE Cc1ccnc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267512486 GSUWSBCMKYWMAG-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE Cn1cc(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267518236 APEIYDHKWNLLHN-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881955 MKZMRIJHSFXYQJ-CABCVRRESA-N 446.357 2.151 30 10 IEEE N#Cc1c(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)sc2c1CCC2 2286043301 DUSPQWIIXFURQE-OAHLLOKOSA-N 449.510 2.230 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298380233 FELIGLHSBZGXCN-JYJNAYRXSA-N 442.387 2.349 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(O)cc2O)CC1=O 2327895126 ADFATWGBXNFTPA-CQSZACIVSA-N 433.534 2.160 30 10 IEEE COC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cc(OC)c(OC)cc1OC 2331142706 ZBGGQTDNHICGQX-UHFFFAOYSA-N 434.396 2.470 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)n1C 2337186705 WGNSPAGJVNCCBV-UHFFFAOYSA-N 448.373 2.062 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337301819 PGTBQLICZDWZMW-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@](NCCC#CBr)(C(=O)O)C[C@@]12CCCOC2 2349198470 JBVZFMKKLUZGAK-QZTJIDSGSA-N 431.327 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](O)C#Cc2ccccc2Br)(S(C)(=O)=O)C1 2351739123 FCTCDQSKOVPVAP-OAHLLOKOSA-N 444.347 2.196 30 10 IEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N 21319677 GZZWULREMLCZRT-FSJBWODESA-N 425.518 2.163 30 10 IEEE C=CCn1c(C(=O)NCCNC(=O)c2cc(C)n(C)n2)cc2oc(Br)cc21 223720480 UYOGSKDLYPVNSV-UHFFFAOYSA-N 434.294 2.385 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 460389213 SIHPIDGNQWYQBD-UHFFFAOYSA-N 437.541 2.338 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 460768537 HMLWMKXOINXWPW-LJQANCHMSA-N 431.562 2.380 30 10 IEEE Cc1ccc(S(=O)(=O)NCCN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 462580811 YSUUKZZXXMLPOT-UHFFFAOYSA-N 427.935 2.119 30 10 IEEE CS(=O)(=O)c1cccc([C@H](NC(=O)N2CCO[C@@H](C#N)C2)c2cc(F)ccc2F)c1 466334182 YTMSKPRWWJJNQG-KXBFYZLASA-N 435.452 2.392 30 10 IEEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 478770790 UFFRSRIXVXDWES-KBPBESRZSA-N 431.308 2.052 30 10 IEEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 478770792 UFFRSRIXVXDWES-UONOGXRCSA-N 431.308 2.052 30 10 IEEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCCC1 481489119 DJGISWNSPYULHO-OAHLLOKOSA-N 426.336 2.336 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1F 488848259 AVUXKJZDMRMYEB-UHFFFAOYSA-N 431.445 2.465 30 10 IEEE CS(=O)(=O)CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N 490105309 QHDZMOOIHOYOKD-LBPRGKRZSA-N 435.365 2.299 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cccn2-c2cccc(I)c2)CC1 503641733 FLWWJAYFTYZSAO-UHFFFAOYSA-N 448.264 2.280 30 10 IEEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cc(F)cc(C#N)c1 505119566 JJCOLMHMOAHQBG-UHFFFAOYSA-N 440.500 2.380 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505192228 VJEBLRGSKFELAC-UHFFFAOYSA-N 432.546 2.260 30 10 IEEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 506021326 DJIWQQFWDOPURI-UHFFFAOYSA-N 444.601 2.024 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)(C#N)CC3)CC2)o1 507831352 VZESYIXZWIXIDW-UHFFFAOYSA-N 437.518 2.009 30 10 IEEE COC(=O)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c2ccccc21 535468235 IIIJGVAJBBMRPO-OALUTQOASA-N 446.463 2.457 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)n1 542052289 VHWMOYYXKIQAMC-UHFFFAOYSA-N 426.849 2.174 30 10 IEEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(c2cccc(C#N)n2)CC1 546917732 DCDRZTCTIBYNEV-UHFFFAOYSA-N 443.555 2.253 30 10 IEEE CS(=O)(=O)c1cc(-c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)ccn1 547092811 DIJFADQYUOWRHG-UHFFFAOYSA-N 425.470 2.415 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 583840808 PIPZPYKQELIOTR-WMLDXEAASA-N 435.525 2.060 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(F)cc1 603786772 MXPXDMUMOIDGEV-UHFFFAOYSA-N 425.460 2.205 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccoc3)c2=O)cc1 727416398 ODXMGDJDWIHVBA-UHFFFAOYSA-N 437.521 2.166 30 10 IEEE Cc1cc(N2C[C@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)ccc1Br 732650710 CKAZPKGVNVCZRP-RHSMWYFYSA-N 431.334 2.309 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CCN1C1CC1 732706417 JFXQVRXPRDJYAC-NRFANRHFSA-N 432.480 2.181 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 742194087 QKZLAXWGRPMGTB-VWLOTQADSA-N 443.507 2.037 30 10 IEEE COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1C#N 746858634 JUUMTAGEIUZNQT-LJQANCHMSA-N 427.526 2.425 30 10 IEEE COc1ccc(CNS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)cc1C#N 749944810 VGYGIRKZKYPKBB-UHFFFAOYSA-N 441.506 2.335 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1=O 751325303 INCHEPLEZADWRS-NRFANRHFSA-N 449.552 2.286 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H]1COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757266504 BZKQRKAJOZTUIH-FCHUYYIVSA-N 448.475 2.087 30 10 IEEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758058607 HRLFXEJSUBONRH-UHFFFAOYSA-N 429.885 2.223 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC(=O)N2C)cc1 760400596 BHZLJVKHPBJNPD-IEBWSBKVSA-N 433.530 2.135 30 10 IEEE N#CC1(c2ccc(C(=O)NS(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)cc2)CC1 777327677 XFTKWKPYSQAERB-UHFFFAOYSA-N 439.493 2.322 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780749762 RLQFLSBNADKFCH-CYBMUJFWSA-N 431.518 2.357 30 10 IEEE COc1ccc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)cc1C#N 790243585 ZGGRNORKQMROFY-UHFFFAOYSA-N 437.905 2.409 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCN1C1CC1 790897125 KTWMDTIRLKLVKN-HNNXBMFYSA-N 431.294 2.381 30 10 IEEE CCn1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2cccc(C)c2)cn1 795175731 YIKNGFVWSWODKW-LJQANCHMSA-N 442.589 2.411 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)n1cnc(C#N)n1 798360744 XYPCJZMCYNZLFH-QWHCGFSZSA-N 428.518 2.199 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)nc1C 800488961 WOKZOSVOPINVCX-PVPXNYROSA-N 425.539 2.450 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 801123148 WDRFJQWBQSWXOV-PKOBYXMFSA-N 444.532 2.057 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 809886586 JQWDQIMBPXRAIC-QGZVFWFLSA-N 448.568 2.221 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2cccnc2OC)cn1 809943430 FHFVLMBEQKHLST-QGZVFWFLSA-N 442.545 2.150 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(C)COC)c1 813564504 DCGIYQXLQFSJGB-IBGZPJMESA-N 444.601 2.340 30 10 IEEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c1=O)O[C@@H](C)C2 839203767 DXBXGEHFKWNNEA-ZDUSSCGKSA-N 433.464 2.397 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 858077331 BKBFUSMOJHIIOV-KXBFYZLASA-N 440.525 2.177 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)ccc1Br 1132853162 NKUNHQPYEKWESO-MRXNPFEDSA-N 448.342 2.468 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 1141516446 KUZGCCXPTVMDGD-INIZCTEOSA-N 437.537 2.141 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C 1153739705 GDDYZINQCBNLIQ-GDBMZVCRSA-N 428.493 2.250 30 10 IEEE CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CO1 1166617635 XZYRJKHARKLZFF-LJQANCHMSA-N 427.526 2.433 30 10 IEEE Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)c(C)c1 1175453057 HWTBVMLEEZYULH-UHFFFAOYSA-N 437.519 2.500 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN(c3ccc(F)cc3C#N)CC2)CC1 1197041234 KCDGLLPZPPDGAN-WEQDKIBNSA-N 433.524 2.055 30 10 IEEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1213519711 QECVOOXLCZVYEI-INIZCTEOSA-N 425.528 2.368 30 10 IEEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(C#N)c(Cl)n3)c2)CC1 1264943463 HIQGKOWZGQCYON-UHFFFAOYSA-N 433.921 2.185 30 10 IEEE C#CC[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1 1280467579 KYHCPUDDPHBHCI-QGZVFWFLSA-N 432.542 2.136 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286385683 YTAXQGRIVRFYHN-SFHVURJKSA-N 446.573 2.253 30 10 IEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1286397149 RPYCMCYUDJFCMB-IBGZPJMESA-N 446.573 2.137 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1nnc2n1CCCCC2 1286414953 CSPSYDSHEUNOAY-UHFFFAOYSA-N 433.491 2.435 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1Cc2ccccc2C1 1286420160 MYIXEGHGHFIYME-GOSISDBHSA-N 439.585 2.156 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2CC(F)(F)Br)n1 1286472369 XJQCHGATMXTPMI-UHFFFAOYSA-N 431.285 2.311 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC2CCN(CC)CC2)CC1 1286489888 HEBMXWXZNQIKBW-UHFFFAOYSA-N 437.592 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286559242 VQPLMSWSKCXUHF-APWZRJJASA-N 425.599 2.072 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1286638149 VMUFQGUVHAGINH-KSZLIROESA-N 425.599 2.496 30 10 IEEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F)C1CC1 1286737168 KFWJWEZVQOQNRY-UHFFFAOYSA-N 447.421 2.427 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC[C@H]1COCCO1 1286750341 YIHVLOXEAGQFDC-KRWDZBQOSA-N 431.562 2.460 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1286752353 WBCWMSDLXKSNDZ-QFIPXVFZSA-N 444.967 2.107 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286768290 XNGNYSSEJRZFSU-QZTJIDSGSA-N 429.569 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286784050 VHQHTRCGDIORCO-FOIQADDNSA-N 441.532 2.268 30 10 IEEE C=CC1(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CN(C(=O)OC(C)(C)C)C1 1292056950 GJEPYCLRKZWETE-NRFANRHFSA-N 425.595 2.124 30 10 IEEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCSCC1 1295439259 KYYBLZSYZXBAPL-UHFFFAOYSA-N 431.942 2.349 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OC)cc2OC)CCOC1 1296605337 HPSVKHSPGYJCGH-FCHUYYIVSA-N 445.495 2.438 30 10 IEEE CN(Cc1ccsc1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298430312 PZEVYZXBLFQLAW-QZQOTICOSA-N 449.540 2.488 30 10 IEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1299684634 GEHMGZVMCKVNQQ-RBUKOAKNSA-N 431.562 2.359 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 1300020397 HCEINZAFDLXXFY-GOSISDBHSA-N 430.505 2.299 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1300273738 RJMGWYWGBSZDEC-IAGOWNOFSA-N 428.562 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CS(C)(=O)=O)CC1 1300275856 AYYUCYJWUVAABV-LBPRGKRZSA-N 440.367 2.318 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccncc1Cl 1300528359 VENRHPLRYIDXHV-UHFFFAOYSA-N 443.898 2.362 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1NC(=O)CC1(C)C 1300547463 MSLKDOJQEIWUKG-FQEVSTJZSA-N 435.528 2.243 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)cc1 1300597283 BHZSXONRCHYSNA-UHFFFAOYSA-N 431.500 2.123 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1300805785 IGSPRCPPLRQQTD-CRAIPNDOSA-N 447.527 2.057 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301124719 KNNGKNWNPUZKFC-DPPKGPFUSA-N 426.521 2.101 30 10 IEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1301188800 NRYKPKPXTIWRTO-HXUWFJFHSA-N 441.532 2.442 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301258455 SSNLRUWKQSIAMR-QGZVFWFLSA-N 429.496 2.367 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC)[C@@H](C)C1 1301515187 QPBGOEIHLQTHBF-IBGZPJMESA-N 426.565 2.307 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)N(C)Cc1ccccc1 1303711495 FBJSKFXXZBHJAX-CDMIOBSGSA-N 425.512 2.192 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)cc1C 1304378325 BJWRSSDRPHYGRR-HXUWFJFHSA-N 448.524 2.024 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(=O)c1C#N 1306833316 BHJIRYUGRIUFDQ-LBPRGKRZSA-N 447.264 2.362 30 10 IEEE CN(C)c1n[nH]c(CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1313228961 IHVGFQFNAYMDLF-BQBZGAKWSA-N 436.307 2.183 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCCCC2=O)CCOC1 1314111079 GHGRXLHGKYZCAA-QHCPKHFHSA-N 444.580 2.463 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1315607885 DTHHZQRPMQOLLH-MSOLQXFVSA-N 427.505 2.126 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1315876931 ZXNSYXDSRIFEDS-UHFFFAOYSA-N 449.515 2.481 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H]3CCC[C@H](C1)C3O)CCCC2 1319416539 HQUZGOOIGPPTSM-XQQZOSOQSA-N 426.561 2.449 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(NC(=O)c4ccoc4C)CC3)CC2)o1 1340070074 RTZJHRUKZBVPOB-UHFFFAOYSA-N 425.489 2.394 30 10 IEEE CCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC1=O 1355382234 ICWRZYMRQZXBFP-CULCSUMMSA-N 434.562 2.477 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1358881575 IWAZDEQJGQQJHH-MRXNPFEDSA-N 426.546 2.279 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1358940241 SGHJVDVELSAYLW-GOSISDBHSA-N 437.342 2.049 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC(O)CC1 1359002568 DZBSHOLAZIQQBI-UHFFFAOYSA-N 435.370 2.342 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1359037521 MMXPAGWSGAVXDV-JOCHJYFZSA-N 428.625 2.003 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1359048071 DJDRDGWUJPIALV-UHFFFAOYSA-N 442.589 2.474 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359135987 VIQXPXCEGLLEMV-LJQANCHMSA-N 441.532 2.305 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359309913 HEZOVLYIXPNBDA-MRXNPFEDSA-N 444.561 2.161 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOCC(F)F 1359718148 UGECXFKMDULKFC-HNNXBMFYSA-N 434.495 2.450 30 10 IEEE C#CCN(C(=O)Cn1ccc(C(=O)OC)n1)[C@H]1CCOc2ccc(Br)cc21 1360310187 BSEUSLUWZWTTEN-INIZCTEOSA-N 432.274 2.418 30 10 IEEE C=CCN(C(=O)c1ccc(OC)c(-n2cnnn2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899214 DIYNDKHHKLQUJJ-FQEVSTJZSA-N 435.484 2.474 30 10 IEEE C=CCn1cc(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)nn1 1441912077 IRWHRYCGLVGCPP-UHFFFAOYSA-N 429.477 2.012 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C(=O)NCCOC)CC[C@H]3C)n[nH]2)c1C 1442313018 HXSLQTWILCAOPM-RHSMWYFYSA-N 428.537 2.079 30 10 IEEE C#Cc1cccc(N(C)C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c1 1443410628 PRAMEPORODRLJQ-UHFFFAOYSA-N 430.486 2.338 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)NC(=O)c1ccccc1OC 1452935496 HVCYMVGHWXLBOL-KRWDZBQOSA-N 434.558 2.350 30 10 IEEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1454916728 FENUTYNWUNHEIV-QFIPXVFZSA-N 430.512 2.265 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1I 1456055908 AUEMDHNEKOCIMV-LBPRGKRZSA-N 436.257 2.008 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1466947954 YXSQRDRNGOUOCC-INIZCTEOSA-N 437.541 2.110 30 10 IEEE COC1(OC)CCOC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1473762116 HTUVPXPMSADZNF-LJQANCHMSA-N 430.480 2.411 30 10 IEEE COc1cc(OC)cc([C@@H](O)CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1475004803 ASSSNNYZCBTDTE-KRWDZBQOSA-N 441.303 2.350 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1478348384 DZASGPWRDIRNLY-NRFANRHFSA-N 444.557 2.368 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)C2=O)cc1 1478420347 SUPUEMAGNZKNSY-VQTJNVASSA-N 435.459 2.297 30 10 IEEE NS(=O)(=O)c1cc(CNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1F 1479035504 QBEJNFZUHHBOQD-UHFFFAOYSA-N 437.337 2.499 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501989222 VYCXWOFNBLMYRS-UYAOXDASSA-N 438.580 2.453 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CC1 1503888334 ALPQTUGXWWILRO-JOCHJYFZSA-N 436.472 2.206 30 10 IEEE CO[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C1 1504489987 MIPAAWBIVCFMNH-OAHLLOKOSA-N 426.502 2.398 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1CCC(OC)CC1 1504995400 QPSKBDNOUPKCJM-KJJOEJEFSA-N 446.596 2.384 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507631044 BAZKLHZFYIGUJZ-IBGZPJMESA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507634461 KMMPQNIJLOHKMK-LJQANCHMSA-N 434.606 2.454 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCC[C@@H]2C)CC1 1507729187 FWMAIZJZCXDXJV-SFHVURJKSA-N 428.531 2.387 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507954143 KZLKSCBXTMJTMJ-KRWDZBQOSA-N 449.552 2.398 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1507967447 HIWBUZDBSYTVJT-ZDUSSCGKSA-N 429.493 2.469 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C)C1CC1 1507994959 BQIYWYUJWCYOFX-INIZCTEOSA-N 430.578 2.145 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCCC2)C1 1508132773 ZSOQIKSWVFFMJQ-INIZCTEOSA-N 431.562 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1508139382 FZWFRJJERAOGBB-SJORKVTESA-N 438.623 2.390 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(C)cc2)CC1 1508149764 WYZMYJXHDWCUCU-UHFFFAOYSA-N 433.578 2.050 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCCn2cnnn2)C1 1510290611 UNVYDUKELCAXST-FQEVSTJZSA-N 425.472 2.203 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)CC1 1510294829 VBVDQCSTJWNUCH-UHFFFAOYSA-N 444.486 2.136 30 10 IEEE Cc1cnn(C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CCO2)c1 1511414417 DHQJMSLPDMCTHW-OAQYLSRUSA-N 435.532 2.390 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1 1515770056 DBRRACRQJROQEE-UHFFFAOYSA-N 447.952 2.238 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1516704855 QQVABHFEWYORJN-KRWDZBQOSA-N 442.520 2.432 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1516734479 VKGIMPZXWSBHNO-YLJYHZDGSA-N 440.548 2.221 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517760439 DNWYACACWSGDLF-IRXDYDNUSA-N 443.515 2.228 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)c2snc(C)c2C#N)C1=O 1525007737 FBZWUZKFBINLQU-FQEVSTJZSA-N 427.486 2.070 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)cc2C1=O 1537620367 BENZAIICKWFQBI-NNZMDNLPSA-N 425.485 2.311 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(c2cc(C#N)cc(C)n2)C2CC2)cc1 1538639412 NXLGWYIKLISQPT-UHFFFAOYSA-N 441.513 2.036 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539078762 GRVKYQBQGUBFPB-IBGZPJMESA-N 432.594 2.347 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN2CCC)CC1 1539438024 LAENNFBJJZZKHJ-NRFANRHFSA-N 437.548 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cc(C)on2)CC1 1539481713 DPKSWOGQVINZNQ-UHFFFAOYSA-N 436.491 2.319 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1)c1ccccc1 1539767020 IADXEXUXIDQZTR-APWZRJJASA-N 431.562 2.171 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1cc[nH]n1 1540062093 FWBDOODUUJKTNC-UHFFFAOYSA-N 430.310 2.483 30 10 IEEE COc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1S(=O)(=O)N1CCCCC1 1540464999 ANWFKSZLNZFUSM-UHFFFAOYSA-N 428.510 2.466 30 10 IEEE CC(C)N(C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541607986 FYNCSDOYPNMSJG-UHFFFAOYSA-N 445.575 2.197 30 10 IEEE CC(C)OC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541740233 OSLKGFOSAMQEPK-HNENSFHCSA-N 430.553 2.496 30 10 IEEE CC(C)[C@H]1CCc2c(sc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2C#N)C1 1544589880 MIXGFCWFSIFHGJ-LBPRGKRZSA-N 433.559 2.464 30 10 IEEE CC[C@H](Cn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1)NC(=O)OC(C)(C)C 1545954470 FHTNMWGOVIJMST-MRXNPFEDSA-N 427.509 2.425 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1555559371 SXZCWINAYYPDOK-REWPJTCUSA-N 440.548 2.359 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1558256554 SSOVHLSHUJAFMJ-KSFYIVLOSA-N 439.553 2.435 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 1558759314 ZWKDYYRWPDKBJV-ADKRDUOOSA-N 428.599 2.106 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(C(COC)COC)CC2)CCCN1C(=O)OC(C)(C)C 1583793878 WZAOVQWDFYQCFU-JOCHJYFZSA-N 425.570 2.138 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1585232570 OZLZXFZZBZRXQM-FQEVSTJZSA-N 443.548 2.325 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2 1585298003 ZKYWBIFAMGTAMK-DYTRJAOYSA-N 442.859 2.363 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1587674036 USQXHQKBGWHVPA-QGZVFWFLSA-N 444.499 2.348 30 10 IEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1587864766 AEAFHNNTAIOXFL-OAQYLSRUSA-N 437.544 2.119 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC(F)F 1587945819 PWBBBACFKNZYMV-UHFFFAOYSA-N 430.228 2.297 30 10 IEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1589421181 FGOOVJCVKBGXQA-UHFFFAOYSA-N 429.315 2.151 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1589658366 ZNGFZFHFKQDTCX-PGRDOPGGSA-N 430.574 2.417 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595343180 FRVMKVNAYAXRGI-UHFFFAOYSA-N 440.367 2.412 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2ccccc2OC)CC1 1595476386 KSOULSRDYKOMCB-SFHVURJKSA-N 426.565 2.425 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1595523182 QYXSMHNZOJDEJG-QGZVFWFLSA-N 435.532 2.299 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)(C)C 1618978069 DGHUVHMODRIVBM-OALUTQOASA-N 437.548 2.434 30 10 IEEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1620246831 HZBXUCWZFWRBBR-GOSISDBHSA-N 449.602 2.495 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCOC2)CCO1 1620354737 KNWVSQXBTMBEIJ-DOTOQJQBSA-N 432.912 2.165 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c1 1626981166 IVWJPNOXXRDGDO-CALCHBBNSA-N 436.436 2.094 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)OCc2ccccc2Cl)s1 1628822594 GOOQJIKAAJDBPK-UHFFFAOYSA-N 442.946 2.268 30 10 IEEE C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)cn1 1632365616 XVBBTYIBYLFCRF-HUUCEWRRSA-N 425.407 2.056 30 10 IEEE C#CCN(CC(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1)C(=O)OC(C)(C)C 1635047760 KMJJGWHTVDVGTO-UHFFFAOYSA-N 425.526 2.047 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1635273704 FMGPXKQGPTZEKE-CVEARBPZSA-N 425.526 2.045 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC=C(c3cn(C(C)C)nn3)CC2)c1 1636376346 ZATGRHSFWYPXOZ-UHFFFAOYSA-N 427.530 2.090 30 10 IEEE C[C@@H](Oc1c(I)cc(Cl)c2cccnc12)C(=O)N[C@@H](C#N)CO 1636605584 XDZJIBGEQSACKA-BDAKNGLRSA-N 445.644 2.261 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(CN4CCNC4=O)CC3)C2)C1 1639633915 QHZDYLRHBFNSLC-FRIYVGAWSA-N 445.564 2.037 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1639751294 RJXGCNFBMZVQDJ-QGZVFWFLSA-N 439.493 2.402 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 1641027436 VSDMEUZDWPZIFV-KRWDZBQOSA-N 428.470 2.151 30 10 IEEE C#CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1643015747 OJECCAZDEFOBLV-LJQANCHMSA-N 441.553 2.170 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)c1 1653972601 MHBPMEGQEQCOSB-UHFFFAOYSA-N 439.581 2.208 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@@H]1SC 1682248485 MMWXFJOEVODYOX-QRVBRYPASA-N 428.562 2.467 30 10 IEEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc(-c2ccc(Cl)cc2)no1 1684354439 UFGNRXOUMYBUIB-YNKQFZHNSA-N 435.893 2.031 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1689826500 OYEOVGNCNJNYCH-OAHLLOKOSA-N 439.520 2.250 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1689852249 CPRSWHUVHUOZLI-OKZBNKHCSA-N 431.537 2.390 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1689884228 NODWLYWLBXDAMF-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCCC1 1690003075 CCLZAQNEPUBFJX-UHFFFAOYSA-N 443.349 2.165 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCOC1=O 1690039436 FPVFRXMRNRAELG-UHFFFAOYSA-N 437.500 2.268 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ncc(CC)s2)CC1 1690132537 SIBXPMDDXMWMMU-UHFFFAOYSA-N 438.605 2.157 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690167892 PGVPFRAOJUGIJO-SFHVURJKSA-N 426.590 2.393 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1690248162 LCLDVSHAQXLXDU-PZJWPPBQSA-N 447.605 2.144 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690249287 WOFNRRYNDPUHOQ-YQVWRLOYSA-N 439.626 2.318 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690341320 JYJUONUITYLDSI-CRAIPNDOSA-N 442.907 2.244 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC(C)C)CC1 1690367697 YHXWPTYANSCBCK-UHFFFAOYSA-N 431.562 2.420 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC)c2)C1 1690699535 GJIOJBAIKAIPTB-ICSRJNTNSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1690732042 UIMMCDUSWPCEKH-HXUWFJFHSA-N 426.583 2.157 30 10 IEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1692197064 QPGWFLZVYJPPMD-UHFFFAOYSA-N 448.579 2.137 30 10 IEEE CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCC1 1692869622 DNKUUNOZICZVAA-UHFFFAOYSA-N 428.562 2.479 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)coc2C)CC1 1695932697 VSZAYEUSGAGYEL-UHFFFAOYSA-N 447.543 2.333 30 10 IEEE COCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697996508 LWJWLBCWJGHHED-QGZVFWFLSA-N 426.521 2.175 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccncc3)n2CC(F)(F)F)CC1 1698488020 ATDGSPQXZQDUGI-UHFFFAOYSA-N 428.422 2.419 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1705613184 WZZDSJHFGBWKHT-ICSRJNTNSA-N 433.622 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705699761 LNUAGAZVSBOXDB-FPOVZHCZSA-N 430.597 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1705714440 QXQWHSSCSJHTEQ-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)cc2OC)CC1 1705762984 MTHIFXIPTXBMTA-INIZCTEOSA-N 449.577 2.305 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1705852137 LFDWNKQIBAYNEB-KRWDZBQOSA-N 439.486 2.487 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)CC1 1705910622 IAULOALAXHCHSJ-UHFFFAOYSA-N 440.548 2.136 30 10 IEEE Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 1707852134 MYCPQXMIVNDQFE-DYVFJYSZSA-N 425.518 2.144 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccnc1OCC 1710735781 VYKUBKVUVBYUQD-UHFFFAOYSA-N 448.531 2.250 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1710981202 HZENXJVMPSMPDB-UHFFFAOYSA-N 446.559 2.350 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1712168092 XNLHTTVVKCEKFW-WOJBJXKFSA-N 439.495 2.212 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1712452653 KXORMVZODNINQP-UHFFFAOYSA-N 442.911 2.176 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1CCOCC1 1722287805 SXIVQWGWPJYYNO-QGZVFWFLSA-N 425.533 2.285 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cnccn1 1722327541 MGOSUOODWZSSCJ-UHFFFAOYSA-N 438.561 2.386 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722330141 PXHKPMHPIOONIK-UHFFFAOYSA-N 431.562 2.133 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCSC1 1722425338 VMDPGBQCKJTXQS-QFIPXVFZSA-N 438.557 2.085 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1722432344 WBCLZZCYSRKDNL-HSZRJFAPSA-N 449.647 2.365 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](OC)C(C)(C)C)CC1 1722438725 ZUTOXVKQIJGFJR-IBGZPJMESA-N 449.559 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2cnn(CC)c2)CC1 1722444555 BDUPSYHWFOZTLJ-UHFFFAOYSA-N 435.507 2.315 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1722690902 MZAPCVDQCCIRHT-UHFFFAOYSA-N 426.565 2.343 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722737304 AIYSUMVNIQJWGT-CYBMUJFWSA-N 441.483 2.159 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N(C)C)CCOCC2)CCOC1 1722864541 TUQLVDNVGVWPIX-AVRDEDQJSA-N 434.585 2.025 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccon2)CC1 1728634500 AEHJYHZDMVTYHD-UHFFFAOYSA-N 434.548 2.469 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1729409768 UZJXOSGDLVPKNC-QFBILLFUSA-N 429.546 2.115 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1729777456 CUDVVIWAKUZAJC-GOSISDBHSA-N 440.548 2.316 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(SC)CCN(C)CC1 1730837796 AGRQOIKPFUQTHL-QFBILLFUSA-N 440.589 2.271 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1730923844 OXUXXGXCKVQDSG-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1740553025 QJEIKSXNPWCZNN-SJLPKXTDSA-N 440.573 2.387 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cc(C)no2)c1 1740563856 ZKBHGLAKLWUTGZ-UHFFFAOYSA-N 430.472 2.080 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740683945 SCCDJGGMMAAOBH-FQEVSTJZSA-N 438.532 2.334 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740757654 QOQSHZQYZJFGOD-NSHGMRRFSA-N 425.537 2.069 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740889033 UQVVITBXYZLQSW-GOSISDBHSA-N 429.496 2.400 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1740905921 ACDPTZAKXNGSMA-UHFFFAOYSA-N 444.561 2.438 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1740965441 PEQSFMUMSSUBDT-MBSDFSHPSA-N 443.523 2.365 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1742881118 DMYCMCJZCCFLEY-UHFFFAOYSA-N 437.504 2.448 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1744189205 DTPSWBVEDTVXGL-KRWDZBQOSA-N 449.563 2.211 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCC[C@H]1CC 1744696639 GOJCKFKSOJOCEH-RBUKOAKNSA-N 437.596 2.482 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H](C)O1 1745058552 SHZOVCAMTUZXKO-XKGZKEIXSA-N 427.505 2.148 30 10 IEEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1748727916 ZEJJVASURHXFHG-HXUWFJFHSA-N 430.597 2.141 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749104476 UQOWIMXCZZWUMC-KFWWJZLASA-N 445.383 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1749738880 ZYXSVTCFJYYGFZ-UHFFFAOYSA-N 440.573 2.030 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nccc(C(F)F)n2)CCO1 1750386536 MHRNHFLHOFRRHE-LBPRGKRZSA-N 432.822 2.498 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1C(F)(F)C12CCC2 1751206277 IFRSNWQVIAAITJ-DZGCQCFKSA-N 442.536 2.454 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1751690466 GNBKAZQFWRLZGA-YADHBBJMSA-N 438.576 2.143 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCS(=O)(=O)CC1 1760105204 MKWBKHIBLUYAHG-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1760118131 YOKIZUPJRZRUAI-MJGOQNOKSA-N 442.589 2.072 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760188852 DKYUZBGLVJXINW-AZUAARDMSA-N 425.558 2.247 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(SCC)c1 1760205517 CSCJVAMHPWFPQK-SFHVURJKSA-N 428.583 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCO[C@@H]1CCOC1 1760214691 YJMFZSHPLRAHQE-HXUWFJFHSA-N 436.512 2.375 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC[C@H](OC)C(F)(F)F)CC1 1760270580 ZHSJFJKGYGUUAT-INIZCTEOSA-N 427.471 2.479 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1760358311 QUWSSDBFJAZMSC-UHFFFAOYSA-N 437.548 2.404 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1760422188 JEKNFXDTXPZLLO-MRXNPFEDSA-N 443.639 2.347 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC(OCC)C1 1760465017 VDGAEBWJONPERP-UHFFFAOYSA-N 427.553 2.004 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCSC1 1760494215 JRDBQNQBIKIXJS-HXUWFJFHSA-N 448.618 2.285 30 10 IEEE COc1ccc(OC)c(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1768713342 FTTSFZSPCVKNEL-IBGZPJMESA-N 437.504 2.057 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C2COC2)nn1 1769862018 QTTIYQDZJIXLQC-ZDUSSCGKSA-N 442.911 2.414 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1770453095 FTDGWPUZDOSDSU-SFHVURJKSA-N 434.500 2.495 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccc2F)nnc1N1CCSCC1 1771564859 XFHYQZKXDHMPTF-VXPUYCOJSA-N 442.520 2.088 30 10 IEEE COc1ccc(C(=O)CCC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1F 1852635183 GCGYPELSOLETRU-UHFFFAOYSA-N 440.475 2.429 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)CC(=O)Nc3cccc(Cl)c3)CC2)nc1 1853139485 GPKLTHLZJYJBLL-UHFFFAOYSA-N 427.892 2.301 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855734735 WLFUHEUAEUQAMG-CQSZACIVSA-N 431.901 2.202 30 10 IEEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)COCc3nc4ccccc4s3)C(=O)C2)C1 1856857302 HVXIXUASHGZRQG-QGZVFWFLSA-N 428.558 2.134 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cc(C)ccc2C)cc1 1859010667 AUGACPOCTJWSEH-UHFFFAOYSA-N 444.509 2.089 30 10 IEEE N#Cc1c(NC(=O)CN2CCN(c3nc(O)c4c(n3)CCCC4)CC2)sc2c1CCC2 1859431142 OXSRIJJBDOPBQB-UHFFFAOYSA-N 438.557 2.244 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1cc(OC)c(OC)cc1OC 1864870125 HIDACUFIGQWXCU-SFHVURJKSA-N 442.516 2.395 30 10 IEEE CC[C@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868795543 LZXKFTFNCCPNSA-GCJKJVERSA-N 432.590 2.293 30 10 IEEE COC(=O)COc1cn(C[C@@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870265037 ICVWPOHBWAGYBJ-GFCCVEGCSA-N 431.514 2.265 30 10 IEEE Cc1nc([C@H](C#N)C(=O)CN2CCN(c3ccc(F)cc3)CC2)sc1C(=O)N(C)C 1872797496 LYNXRYVFSRLGLG-QGZVFWFLSA-N 429.521 2.291 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874340133 CIPWYALKNDDQQU-XYHOIZSOSA-N 431.518 2.057 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1890983884 DIKBZUSCICGDOG-AZUAARDMSA-N 437.993 2.439 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 1892023262 NRTCNNOLOMRHLT-LLVKDONJSA-N 441.282 2.482 30 10 IEEE C=CCN(CCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1896044682 YJAYDAYTKNMSAJ-HZPDHXFCSA-N 427.542 2.286 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 2010228312 BEGFCILWJQTGCZ-HXUWFJFHSA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060641573 KXADGJVMPKKEBH-ALYAQQCSSA-N 436.358 2.155 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)n1 2121897003 QJUVWJPGQQQSOO-LLVKDONJSA-N 434.165 2.430 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 2237388546 UOXJVFGGAPPKTK-LSDHHAIUSA-N 439.306 2.478 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247923277 VWQNGERCKRMMJM-INIZCTEOSA-N 432.351 2.092 30 10 IEEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247951524 JTQBFVCCJOSWDB-UHFFFAOYSA-N 431.367 2.486 30 10 IEEE C=C(CS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)B1OC(C)(C)C(C)(C)O1 2247963138 UIKYEINRFKSLRY-IBGZPJMESA-N 431.367 2.214 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCO1 2254796677 SMZHFOYOZSPHBK-AWEZNQCLSA-N 437.321 2.250 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(C)Cc1ccccc1 2255640614 LZXDKIJWAUQRIO-UHFFFAOYSA-N 426.370 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837858 WOTMQUAEBAYHRX-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256615449 UUPMMHJWZXIVRJ-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)OCC12CC2 2256669124 KYXDXMWSKVPUDZ-INIZCTEOSA-N 434.342 2.296 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267138938 ZASWZGHBYQXGOQ-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267215322 CKTWIYDFXDZHDS-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2267272882 FCODGYJJJUJYMB-JKSUJKDBSA-N 449.332 2.458 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267495237 YXQCPDAOKRXIET-MJGOQNOKSA-N 438.381 2.217 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267542505 SLHIOFBBEXHYCS-UHFFFAOYSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267594012 ZAYMZXXPWLMTLK-LSDHHAIUSA-N 446.357 2.342 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2271437370 YZBBMDSLPCEOIC-OAHLLOKOSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1nccc(B3OC(C)(C)C(C)(C)O3)c1F)CCO2 2272910424 XMPCVIWKCOTYKW-UHFFFAOYSA-N 449.332 2.346 30 10 IEEE CCOC[C@](O)(CNC(=O)OC(C)(C)C)[C@H](N)C#Cc1cccc(Br)c1 2278735215 MPMNKQOXIINBMU-VQIMIIECSA-N 427.339 2.420 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2326103121 JYWZLJIQBNLYDR-ZBNTXBBCSA-N 440.544 2.407 30 10 IEEE CC(C)(C#C[C@]1(OCC(=O)O)CCCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2365240273 CZXVXANQBPAZTH-OAQYLSRUSA-N 437.514 2.086 30 10 IEEE CC(C)[C@@H]1C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OCc1ccccc1 2370889516 VMTGJBKJFNRKPG-AVRDEDQJSA-N 435.542 2.180 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 63310122 FUZGILBBSBPTKT-UHFFFAOYSA-N 439.515 2.222 30 10 IEEE C[C@@H](/C(N)=N/O)N(C)C(=O)c1cc(I)ccc1Br 235476311 FFDCVNLXZXUXFH-LURJTMIESA-N 426.052 2.261 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 438131309 NUDJRFAMJXKOAB-UHFFFAOYSA-N 438.410 2.207 30 10 IEEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 438751680 IYHOAFRFPLAIKM-ROUUACIJSA-N 430.530 2.075 30 10 IEEE Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 440189336 GRFOYBAREIEGTI-SFHVURJKSA-N 437.891 2.823 30 10 IEEE Cc1oc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1S(=O)(=O)N1CCCC1 461296877 TVRQSKDODIWNGA-UHFFFAOYSA-N 426.458 2.077 30 10 IEEE CCOC(=O)c1cnc(N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)s1 464760390 GNHUSUDZHYDTOT-QGZVFWFLSA-N 425.514 2.119 30 10 IEEE COCC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(C)o1 488354121 ZMMMXLPBWKEMEH-SFHVURJKSA-N 446.529 2.253 30 10 IEEE C=CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1nc(C(=O)OCC)cs1 501940523 SHRXXHOKPHDPPG-UHFFFAOYSA-N 439.471 2.464 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 508115759 AAJHFBATGABUDJ-NRFANRHFSA-N 433.468 2.400 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C(=O)OC)cc1 513818912 MJGAZSHWKSESSF-UHFFFAOYSA-N 438.527 2.389 30 10 IEEE COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N(C[C@@H](C)C#N)C3CC3)cc2)C1 513897964 BSZFNHUNTZZQIE-HOTGVXAUSA-N 448.545 2.416 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)C)CC1 549670229 QCUBAVWNLWZEER-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)C(C)(C)C1 559006324 NQUKTEHZDBFVFH-UHFFFAOYSA-N 445.593 2.042 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 573607534 ROVLHMITPACQIW-LJQANCHMSA-N 428.968 2.451 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 586858290 GDEQCZCEBKMTBA-HKUYNNGSSA-N 444.582 2.416 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669814267 GSYKOVUIOWTHPO-HNNXBMFYSA-N 432.431 2.205 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 679755612 XUMGGHAZJYACKY-KRWDZBQOSA-N 426.513 2.490 30 10 IEEE COc1ncccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 726105953 FZZAVFKXAGLLLL-JJEKXKKKSA-N 439.541 2.197 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccc(C)cc2)cn1 730144670 PZHZHLOMZVPCDZ-LJQANCHMSA-N 442.589 2.411 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 732812636 CTIDYRQSMCYKFW-ZBFHGGJFSA-N 426.439 2.425 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1OC 751553849 QUIYSNBHIQVKOJ-UHFFFAOYSA-N 428.473 2.123 30 10 IEEE CC(=O)NCc1ccc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)s1 754785176 CICMLPHQGPSTML-UHFFFAOYSA-N 442.316 2.137 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccccc3NS(=O)(=O)C(F)(F)F)CC2)n1 761039016 VJKFQVLKDFTHSA-UHFFFAOYSA-N 439.419 2.177 30 10 IEEE C=CCn1c(COc2ccccc2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 765076320 ORKOCAJRKQYKMI-UHFFFAOYSA-N 444.605 2.232 30 10 IEEE COc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)c(NS(=O)(=O)C(F)F)c1 769619649 BRMVKLWMQJHRLY-UHFFFAOYSA-N 431.332 2.265 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 772728463 GZQFOUVHXBQWIW-KGNHYALCSA-N 434.500 2.185 30 10 IEEE CC1CCC(N2C[C@@H](C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)CC1 787059785 HHPZBTAUIYFMSX-DRWNQKMKSA-N 426.473 2.347 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cccc(-n3cccn3)c2)n1 789967201 JDGSEFMBEVLTCJ-SFHVURJKSA-N 434.529 2.493 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC 796096406 BUWLFJOKSCLHMB-KRWDZBQOSA-N 436.555 2.370 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800606684 CVEHTEYKIBUVRV-UHFFFAOYSA-N 441.553 2.295 30 10 IEEE CCCn1c(COC(=O)c2cc(C#N)ccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 803850367 IZGMJCLMGKCDME-UHFFFAOYSA-N 427.486 2.320 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2Br)cc1 811830494 REFQDBJFBCPXKL-UHFFFAOYSA-N 436.283 2.400 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C)cc3C)c2=O)cc2c1OCCO2 838945221 CJEMZBLRXFZNLB-UHFFFAOYSA-N 445.500 2.322 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 915005418 ALFRTGOYGUKNRE-BQIYRTECSA-N 435.546 2.170 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 917768559 QMUHCTUUGLZGGS-IBGZPJMESA-N 448.548 2.003 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc(OC)c(O)c3)n2N)cc1 1084363999 ZRSNNBMUYGHEFW-UHFFFAOYSA-N 428.474 2.136 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)OC)c(O)c1 1138222625 DWAGUDOTCBBGLY-INIZCTEOSA-N 445.497 2.415 30 10 IEEE C=C(CCC(=O)OC)C(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1154217316 RIMBGMXZWSQVNG-UHFFFAOYSA-N 427.295 2.203 30 10 IEEE N#CCOc1ccc(CN2CCN(c3ncc(I)cn3)CC2)cc1 1175148514 GGSQUOQUMAJZAY-UHFFFAOYSA-N 435.269 2.306 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@H]2CCCO2)c1 1178557352 MVBGFGWRIVOKDL-DFQSSKMNSA-N 433.526 2.056 30 10 IEEE COc1ccc(Br)cc1C[C@@H](CO)CNS(=O)(=O)CC(C)(C)CC#N 1211862459 DVNGABYVAVSURP-CYBMUJFWSA-N 433.368 2.468 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1224762505 LMNNKJMOEDZZIT-STQMWFEESA-N 443.488 2.074 30 10 IEEE C=CCOc1cccnc1C(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1C 1282565276 HCXCCDRFJGZMBB-WEDTZATHSA-N 425.529 2.284 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286472774 FJEKRBYZUGQYIF-QGZVFWFLSA-N 447.992 2.179 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(O)cc2)CC1 1286494662 VWFQAJMYDCNKRS-NRFANRHFSA-N 437.544 2.434 30 10 IEEE C=C(Cl)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286635109 JZXNYKLWXNTYLI-MAUKXSAKSA-N 432.974 2.085 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286689668 YKHZPQYQGVJISH-QHCPKHFHSA-N 437.548 2.435 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CCN1C1CC1 1287784705 SQKIRCHRITXYRX-OAHLLOKOSA-N 447.280 2.289 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1288724666 CMFWWIZPLAXBDG-ZDUSSCGKSA-N 449.487 2.326 30 10 IEEE C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2[N+](=O)[O-])C1 1289437847 SZDOCQBURLTSRO-BJMYLWLSSA-N 446.529 2.087 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)cc1 1289826989 CPRNYTIBOACNKB-OAQYLSRUSA-N 441.532 2.480 30 10 IEEE CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1293772533 CRQKTHIRQIIDSK-HNNXBMFYSA-N 446.916 2.252 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1299494384 AGGUECYJADAJQF-QGZVFWFLSA-N 426.521 2.246 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300497361 YKEDXXZJXJFNRH-AEFFLSMTSA-N 434.949 2.110 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1300629914 IUYDUQGIXAQCRS-OAQYLSRUSA-N 446.646 2.301 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1300666132 WPWOUZQRKRNVNN-UHFFFAOYSA-N 444.499 2.064 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1300761372 BVIFGXRYKGLFHM-NHCUHLMSSA-N 441.601 2.004 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1300766906 NTLUUGHZACHLQB-UHFFFAOYSA-N 439.589 2.014 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2C)CC1 1301124757 LFTKCGSSGJXXCQ-FQEVSTJZSA-N 445.589 2.370 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1301497770 CZSAWZJNCLADPZ-OAHLLOKOSA-N 443.939 2.361 30 10 IEEE C=CCSCCn1c(C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1301597600 UDSCYOUYQHIIGA-HXUWFJFHSA-N 426.590 2.433 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cccc(C)n1 1302312324 ZVHCXCBMHWLSFW-IHPCNDPISA-N 426.521 2.067 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1358885263 GHPSNRZJCQVKSO-MRXNPFEDSA-N 435.532 2.001 30 10 IEEE C#CCN(c1nnc(C)n1CCNc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 1358956806 KSNATBKZGWHOLV-AWEZNQCLSA-N 443.360 2.027 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCC1 1358988762 BPLMTHNEIZLRFH-UHFFFAOYSA-N 430.516 2.200 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1359008060 FPSRFCNYATZXGN-IKGGRYGDSA-N 430.553 2.334 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)CC 1359018087 CZOVQVFEEDEAMN-RXVVDRJESA-N 443.523 2.259 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359054473 WYJQAPFECSMNEK-NRFANRHFSA-N 426.521 2.282 30 10 IEEE CC(C)=CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359612195 IYACWSIIHGSHPY-SFHVURJKSA-N 449.563 2.134 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3ccccc3C#N)CC2)cs1)C(N)=O 1434979629 ZDUICIPEVIDBGE-KRWDZBQOSA-N 429.571 2.262 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(NC(=O)C(F)(F)F)nc3)cc2)c1N 1451069336 CFWYUVZEAKSFEY-UHFFFAOYSA-N 429.362 2.152 30 10 IEEE COc1ccccc1-c1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)on1 1454054778 JLWYRHIOFSVABW-UHFFFAOYSA-N 425.466 2.453 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 1455675995 PDRPHBVENQLHJH-PBHICJAKSA-N 429.546 2.228 30 10 IEEE O=C(CCc1ccccc1)N1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1459627360 OHKYEBOKCGXTDX-UHFFFAOYSA-N 429.520 2.453 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](CO)c2ccc(F)cc2F)CC1 1460499922 DPXIYCHEFQFLSX-RTWAWAEBSA-N 432.446 2.136 30 10 IEEE N#Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)ccc1Br 1461102641 BSJZINMFUNDVMD-LLVKDONJSA-N 443.257 2.479 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1462457292 HWOSYBCQXLLTLP-WIOPSUGQSA-N 428.492 2.271 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C2CC2)nn1C 1472040117 DIJIZVXJNALQBU-QGZVFWFLSA-N 429.546 2.211 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1501804560 HLRMUFVLGDEJMS-KRWDZBQOSA-N 439.612 2.201 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1507526206 LKCPMQBRTYFHIQ-RDJZCZTQSA-N 430.530 2.142 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1507573231 DCYFCRUOCWRETB-AUSIDOKSSA-N 429.565 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H](c1cccs1)N1CCOCC1 1507651105 BZDZNVWHRGSNNC-OAQYLSRUSA-N 446.580 2.472 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC[C@H](C(F)F)N1CCOCC1 1507666552 BPRNIJGBZNMSKI-MOPGFXCFSA-N 435.519 2.339 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCOCC1 1507709079 RAJSBPQHUUILSM-UHFFFAOYSA-N 446.555 2.307 30 10 IEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1507750135 JWDZRXRLWIMBOJ-UHFFFAOYSA-N 429.571 2.038 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507760311 XCJAFFZMQUSLAO-DNVFCKCGSA-N 428.581 2.006 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1507914624 NDRILYNJISPYLD-JXFKEZNVSA-N 425.599 2.498 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1508068222 VIRXAYWQWIEDCE-HNNXBMFYSA-N 427.571 2.407 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(COc2ccccc2)CC1 1508093869 WPRGUSHRKDYMCW-LJQANCHMSA-N 425.533 2.380 30 10 IEEE COC[C@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C#N 1518743448 CRAQYERWPKUELI-DZGCQCFKSA-N 437.545 2.127 30 10 IEEE O=C([C@@H]1CCN(CC(F)(F)F)C1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1530004370 RMJINPGEUNCBFH-BBBLOLIVSA-N 443.310 2.471 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1538982348 DYEHHWZDQWZKPO-GOSISDBHSA-N 440.592 2.446 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539002518 ULPOYKIVJFAIFQ-JXFKEZNVSA-N 431.500 2.359 30 10 IEEE C=C(Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539771202 VSTJJCIKZQPLMX-QFIPXVFZSA-N 446.573 2.267 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(OC)cc2)CC1 1539874790 PGQRLKWQTSXOIP-MRXNPFEDSA-N 449.577 2.378 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N3CCCCC3)CC2)s1 1540272797 KRBRSLJMTROJTQ-UHFFFAOYSA-N 439.603 2.006 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Cl 1540901854 RDTNFPLDGZRAFE-MRXNPFEDSA-N 437.953 2.120 30 10 IEEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1546702934 BOMOZYYNXCSZBJ-UHFFFAOYSA-N 446.577 2.247 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1548045804 FUQBSOFYYVCCHL-XOMICKMZSA-N 440.504 2.378 30 10 IEEE Cn1ccc(Nc2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1554344157 DZYCMZHMAFKCFK-MRCUWXFGSA-N 432.488 2.067 30 10 IEEE Cc1nn(C2CCOCC2)cc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1558091590 LKAYWXXTVJYKHZ-UHFFFAOYSA-N 431.518 2.000 30 10 IEEE O=C([C@@H]1CCc2nnc(O)n2C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633562 DDRRJIVZKRGCBV-CSMHCCOUSA-N 434.287 2.176 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1 1559012704 AWFUTISZOPANNE-MRXNPFEDSA-N 432.933 2.133 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566410392 YWRBXGADNUSMDN-QGZVFWFLSA-N 438.532 2.036 30 10 IEEE Cc1cc([C@@H](CC(=O)N[C@H]2CCCN(O)C2=O)NC(=O)OC(C)(C)C)cc(Cl)n1 1569675967 LTXQAZFRPGMRRJ-UONOGXRCSA-N 426.901 2.496 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1585100712 HYMDQKVLGJETLV-FUHWJXTLSA-N 432.569 2.434 30 10 IEEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1586573417 QBMOSIVNWXRRSD-OALUTQOASA-N 444.580 2.295 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1cccc(N2CCOCC2)n1 1588016797 WMBQVVCMWOCLFH-UHFFFAOYSA-N 448.527 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)[C@H](C)CC 1588099480 OBTWHLULYZVSQY-XLIONFOSSA-N 428.558 2.483 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1588283956 IRMZDZVGXRCAAS-UHFFFAOYSA-N 444.337 2.341 30 10 IEEE C#CCN1CCN(c2nnc(C3CC3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1588806588 WBBQYDKGSSTIAD-UHFFFAOYSA-N 425.533 2.179 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(NC(C)=O)c2)CC1 1588857764 SIQZHNCAGNIKGP-UHFFFAOYSA-N 449.584 2.396 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1589664243 WGCNVQGVNVEEQD-KRWDZBQOSA-N 426.583 2.168 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1593932956 SHFJYBHMWAPEMA-ZWOKBUDYSA-N 426.945 2.455 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1594733452 UDBAVTVNEACKEI-MRXNPFEDSA-N 439.582 2.204 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCOC2)C1 1595744137 KGNUCBSOPJPXSQ-REWPJTCUSA-N 428.533 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1595766792 XOENVSDUHZXVCS-OAHLLOKOSA-N 438.937 2.199 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1595790726 QFGKPSYVCSURRG-MRXNPFEDSA-N 442.497 2.223 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595871354 OTNFXXFVPCYOFN-FQEVSTJZSA-N 426.550 2.140 30 10 IEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCc3cc(C#N)ccc31)n2C 1597102432 BAECGZKRXSPIOX-UHFFFAOYSA-N 437.525 2.217 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCc2cnn(C)n2)CCOC1 1610465259 PBZQEEIAKUZHGV-FCHUYYIVSA-N 442.568 2.210 30 10 IEEE CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cc(C#N)sc3[N+](=O)[O-])cc2)CC1 1611983268 HPZXDQOLMWTTTG-UHFFFAOYSA-N 436.471 2.038 30 10 IEEE Cc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)o1 1612030356 AUOFQDNGZYIAFT-UHFFFAOYSA-N 444.517 2.125 30 10 IEEE C[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612768234 YAMQPHUMXNOQQC-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)CC(F)(F)F 1618227973 GWLGDPXPHGDOJP-CALCHBBNSA-N 436.438 2.262 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)s1 1618657012 AVCCTZGMZYVPRG-QGZVFWFLSA-N 448.488 2.321 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 1624894415 XQTOKQGVCYDRHB-HNNXBMFYSA-N 431.367 2.384 30 10 IEEE COc1ccc2nc([C@H](C)NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 1625749324 RKGSBZFHBCSKCD-OLZOCXBDSA-N 441.513 2.266 30 10 IEEE CON=Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 1634121503 MPMFKIIGBVUDCI-UHFFFAOYSA-N 449.555 2.363 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cs1)C(N)=O 1635421495 PSWZQYZLWXLNQW-TZMCWYRMSA-N 430.559 2.021 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 1638380557 PDENLXZKEBUZJD-PMACEKPBSA-N 430.549 2.457 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1 1642471492 VXVQHMMSXZCADV-OAQYLSRUSA-N 448.491 2.462 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 1648154376 YQNHZDIFRMOAIA-JONULYECSA-N 448.317 2.176 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@](N)(c2ccccc2OCC)C(F)(F)F)n1 1650986037 NSOFXBZGWHRIHI-FQEVSTJZSA-N 438.450 2.307 30 10 IEEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)nn1 1667679294 UYBHJEJYPFHDLH-LYBHJNIJSA-N 445.549 2.379 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC[C@@H](O)COCc2ccccc2)C1 1681433390 GSONRGZSRNSXSE-QRVBRYPASA-N 432.521 2.012 30 10 IEEE C#CCN(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1683776901 XQEQFBWBODEZHR-GCJKJVERSA-N 434.558 2.118 30 10 IEEE CSc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 1685180632 ONRPXCTVMAUJCI-UHFFFAOYSA-N 449.558 2.101 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1689847341 XRSVFKUCBVWKAM-FPOVZHCZSA-N 431.544 2.484 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984014 JPIZOMJGWYKAHN-QGZVFWFLSA-N 432.546 2.290 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689993482 FHKYADMTUVSGSB-MRXNPFEDSA-N 447.611 2.256 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCS(C)(=O)=O 1690010213 ZZKDRHPSVKZNTJ-UHFFFAOYSA-N 442.541 2.004 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1690125806 NPHBSCMWAXQJIC-UHFFFAOYSA-N 441.576 2.050 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)OC)CC1 1690152556 PHQXDKWFUPZGRP-SFHVURJKSA-N 439.560 2.420 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1690184713 NVHLILJPADGTGK-MRXNPFEDSA-N 430.530 2.231 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)CC1 1690250979 NTIRZQMLQBEHSX-RXVVDRJESA-N 446.621 2.383 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccco2)CC1 1690252777 ISQRDNQURTYBRD-XLIONFOSSA-N 429.521 2.351 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1690338549 AUDARYKDLIUPCU-CQSZACIVSA-N 440.729 2.411 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690510077 RYPNVELJDMVMJN-UHFFFAOYSA-N 437.541 2.083 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690644869 WPJWHJLNKQHQPC-OAQYLSRUSA-N 430.459 2.148 30 10 IEEE CCC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1695118544 HELIPDRJJCGAIB-PKOBYXMFSA-N 442.568 2.185 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nccs1 1696470570 HQEXAZCYSOFYHS-UHFFFAOYSA-N 430.559 2.387 30 10 IEEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCCC1 1696605212 HYNUSXAWHOMGEL-SFHVURJKSA-N 434.610 2.185 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1705516849 KAVHRKPZAFRVCM-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1Cc1ccccc1 1705652331 VWILUYJGBMIDDF-PKOBYXMFSA-N 447.630 2.466 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705658370 NKGTYVXSBSKENW-UHFFFAOYSA-N 439.589 2.330 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705660659 BLCXQJUAYLUQLP-PZJWPPBQSA-N 446.665 2.222 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705661668 HKPPQXZHNCLGPK-GOSISDBHSA-N 443.548 2.250 30 10 IEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)CC1 1705682511 BXWNGMKKSMURNJ-UHFFFAOYSA-N 439.335 2.194 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)C)CC1 1705693134 BYEXRPLSKAIYLD-UXHICEINSA-N 430.597 2.416 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1705737001 HWJMXXMAFQYYMI-QGZVFWFLSA-N 426.583 2.026 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705737850 CRICVQDDHORFCT-GOSISDBHSA-N 430.578 2.428 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1705843254 ATKFEVKUEXAFHV-PXNSSMCTSA-N 429.590 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705899549 WXLIPVIJQRFFBU-UHFFFAOYSA-N 442.527 2.143 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1705907033 YFNGGMSYALZULL-HXUWFJFHSA-N 438.576 2.451 30 10 IEEE CC(C)(C)C(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1706095418 HDJYPTLQGJOLKL-JTSKRJEESA-N 442.495 2.395 30 10 IEEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ncc(Cl)n2C)C1=O 1711270008 CLPHQJFVHBSQAF-OAQYLSRUSA-N 438.923 2.318 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1722493585 IXQZPDOVIQNNQP-CABCVRRESA-N 445.486 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722494025 LFSDPUMQKAUCQV-WOCWXWTJSA-N 430.505 2.188 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722603703 LTIKQVBPDVLZOV-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1nccn1C(F)F 1722679657 IFFACCHCRQDHGO-UHFFFAOYSA-N 435.435 2.285 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1722685567 GEMKNMQMMKMIHL-DLBZAZTESA-N 431.541 2.161 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CC1 1724010343 IJXVWSRYTJQQFH-IERDGZPVSA-N 446.552 2.241 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H](C)S1 1726666150 GRYHACGZJYRRJB-IYBDPMFKSA-N 449.602 2.208 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1727092292 GQTFZJZCFFNLQH-FFZOFVMBSA-N 449.559 2.179 30 10 IEEE COc1ccc(O[C@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1730182390 CDMVWAWJOQNERL-IAGOWNOFSA-N 448.531 2.439 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cscc2C(F)(F)F)CCO1 1731186591 QLVVMGPLOOYXNO-ZDUSSCGKSA-N 440.451 2.371 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1740614686 AMNJJLPJFJZHPM-VBURHUQHSA-N 442.564 2.129 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740616121 SUVYDGKPARWJER-MJGOQNOKSA-N 447.605 2.180 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740623045 NGZWWWPDYIOHMX-DYESRHJHSA-N 432.546 2.063 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740623335 RMBFXQVZUOGEEB-IRXDYDNUSA-N 431.587 2.171 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1cnn(CCOC)c1 1740723855 UYZRXEJJCYRKOG-JOCHJYFZSA-N 427.553 2.080 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1740764232 BWDCQQRFCSHBFI-QXCZDIPSSA-N 431.581 2.490 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740827661 FRIOVLPDNLCXPH-MRXNPFEDSA-N 428.562 2.341 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CC1 1740838412 OVOWVPMMTGZKMU-GOSISDBHSA-N 426.496 2.201 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1740889987 POHXEKGFYPJDKK-RCCFBDPRSA-N 432.569 2.003 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H]1C 1740893308 FLPVBTUSTKRACV-QGZVFWFLSA-N 432.594 2.302 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)NC(C)(C)C 1741371562 DSTTXZDDCBNZDC-INIZCTEOSA-N 439.568 2.083 30 10 IEEE CCN(CC)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1746120718 WAIOLFAQJUHSCX-FMQUCBEESA-N 428.468 2.369 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1748481183 GEUUPHWBMFYSFB-UGKGYDQZSA-N 427.505 2.149 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(=O)(=O)CC 1748709094 OIEOTTYFVURWKO-UHFFFAOYSA-N 432.546 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@H](CO)O1 1748831807 YQLMAMCTGGUGMS-JKSUJKDBSA-N 447.308 2.459 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NC)c1 1748931418 XSONWMWYFHLJKJ-UHFFFAOYSA-N 427.512 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2oc(CC)nc2C)CC1 1749010236 IWWSCORVJUBMTA-UHFFFAOYSA-N 433.516 2.213 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1749458150 ZHUWDTDGUJAROM-AEFFLSMTSA-N 444.511 2.404 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C[C@H]1CCOC1)C1CC1 1749652029 GKOIRYVGGQWILI-CYBMUJFWSA-N 449.353 2.343 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)cc(OC)c2)C1 1749693520 KGKWTNHNWDQQPI-SFHVURJKSA-N 429.496 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749729096 ATQNACGJQGPDIV-SFHVURJKSA-N 443.577 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1cnn(-c2ccccc2)c1 1749740949 LFTZFUQJDYGNAX-UHFFFAOYSA-N 438.517 2.209 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)C1 1750379085 BFYVPOYBNJAFKR-GOSISDBHSA-N 438.916 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)OC(C)(C)C 1760114087 FYQWHPOUVCJJPX-AWEZNQCLSA-N 430.509 2.379 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccc1 1760155375 WRCAFKVAEJHWLO-FQEVSTJZSA-N 445.589 2.093 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1760200991 FGOMLADFMGEEDW-NRFANRHFSA-N 430.512 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1760207406 HTRBBXUEIMANOS-IUKKYPGJSA-N 437.569 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC)OC 1760217260 VWYCXPOODYXQKE-KRWDZBQOSA-N 428.562 2.126 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccccc2)CC1 1760261300 KBDBAKZHOLOCRC-PZJWPPBQSA-N 441.601 2.129 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1760434003 XXPDMSAADABRKE-CADBVGFASA-N 436.626 2.165 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760531889 DBYALUOVMWLARJ-UHFFFAOYSA-N 432.532 2.440 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1760564717 FXHDEWNKBOJMEU-SFHVURJKSA-N 438.561 2.366 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760564818 IHHYQKAFHKIVEU-INIZCTEOSA-N 436.582 2.206 30 10 IEEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)CCCNC(=O)OC(C)(C)C 1760936144 OZDMULDXXQNHJO-GOSISDBHSA-N 449.600 2.367 30 10 IEEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1763186941 KFINMKUMOLUGOQ-JHBCHSCWSA-N 428.537 2.152 30 10 IEEE CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1764224328 UGIVBDDJMISNFP-RTBURBONSA-N 425.493 2.455 30 10 IEEE CCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1765713814 KDBFJQKEFGVNFF-VZCXRCSSSA-N 438.488 2.437 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2Cc2ccc(C#N)o2)CCOC1 1765832806 OMJVNRGOQSTQJS-FQEVSTJZSA-N 445.911 2.466 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)c1ccccc1 1766407659 MXZSKBHTBSBWNY-XMMPIXPASA-N 447.543 2.316 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CCCn1cnnn1 1768323001 ABRVRCJVCWOZAD-UHFFFAOYSA-N 427.900 2.424 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1OC 1770305005 YPBNEHLVNBXNAK-OKZBNKHCSA-N 449.458 2.003 30 10 IEEE COc1ccc(N(C(=O)[C@@H]2CCC(=O)N2c2ccccn2)C(=S)N=CN(C)C)cc1 1851214507 AKLGWCLBEFRUGA-KRWDZBQOSA-N 425.514 2.494 30 10 IEEE CN(C(=O)[C@H]1C[C@H]1C(=O)N1CCc2ccccc21)c1snc(N2CCOCC2)c1C#N 1851334248 HOKBBQMGFXPBNW-JKSUJKDBSA-N 437.525 2.040 30 10 IEEE COc1nc(=NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccn2)c(C#N)c(C)[nH]1 1851836040 JROCHAJJNJKAKI-PMACEKPBSA-N 428.496 2.337 30 10 IEEE C=CCN1C[C@H](C(=O)N(CCN(C)C)c2nc(-c3ccc(Cl)cc3)nnc2C)CC1=O 1853053184 JCBOVKFWJDXJDZ-QGZVFWFLSA-N 442.951 2.430 30 10 IEEE Cc1ccc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c1 1854656325 YIMOUXOHUVHPLG-QGZVFWFLSA-N 425.510 2.166 30 10 IEEE Cc1cc(C#N)nc(N2CCN(C(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)CC2)n1 1857968913 CHEWOZAASDFWEN-FQEVSTJZSA-N 446.511 2.016 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862444665 DESZUMSKFMVRRS-SFHVURJKSA-N 430.844 2.466 30 10 IEEE CCCCCCCCC(=O)Nc1nc(N2CCC(O)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870059733 DHOJDFHYQZFAFA-INIZCTEOSA-N 441.598 2.288 30 10 IEEE CCc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 1870151168 OAFVMNNGMIZOGU-INIZCTEOSA-N 444.451 2.391 30 10 IEEE CCOc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 1874279858 GXKFXGQKSSTTDW-HJGVYBFFSA-N 447.561 2.463 30 10 IEEE COc1ccc(OCc2nnc(SCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874294659 NOWZDMVMIDUJCN-RGVLZGJSSA-N 445.457 2.446 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C1 1891374401 KXACXAHISRMGNB-GJZGRUSLSA-N 429.864 2.248 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 1891397893 DKDKKZSNQVMYDZ-UHFFFAOYSA-N 433.468 2.042 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)C1 1991985273 FHLJAMMMCSTBHA-UHFFFAOYSA-N 425.526 2.134 30 10 IEEE CC[C@@H](C#N)S(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994713487 PIAOHHPYSDHAIM-OALUTQOASA-N 436.578 2.329 30 10 IEEE C=C1CC(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)(C(=O)O)C1 2020893909 QDITYTVQUIEFMS-INIZCTEOSA-N 432.473 2.303 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2052710992 GRGGXSVGRJFNKT-RDJZCZTQSA-N 436.358 2.286 30 10 IEEE CN1CCN(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2060790289 NSGKELFKYYCDMW-YKSBVNFPSA-N 442.560 2.497 30 10 IEEE C=CC1(NS(=O)(=O)c2c(N)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2075320181 RIGOJZPKYGBGIW-UHFFFAOYSA-N 432.340 2.485 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2124521392 GGNRUUUOCHNKJN-ZBFHGGJFSA-N 449.361 2.466 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124540672 KGSPKUYKTYLHMC-KLHDSHLOSA-N 444.341 2.264 30 10 IEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224127041 FKACCRLVHJZXDD-HIFRSBDPSA-N 436.314 2.214 30 10 IEEE CN1CC[C@](CNC(=O)OC(C)(C)C)(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224130343 LPKRIRKNXQCVRW-JOCHJYFZSA-N 433.358 2.359 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2nccnc2I)C1 2247543836 DDSABZOFRUBSHP-UHFFFAOYSA-N 442.257 2.326 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247928207 YOBVPVJQTUPZGG-OLZOCXBDSA-N 438.355 2.069 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255606680 UAIAISDUUHYMSJ-QTCYRWPVSA-N 438.330 2.439 30 10 IEEE CCC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255797858 MKQOMHHNFNVVCK-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255828538 UEABGOICIMMMRI-UHFFFAOYSA-N 434.346 2.275 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256010719 WMBZNNMIJPFPKU-UHFFFAOYSA-N 432.326 2.383 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267121529 YRWVDJCJDSVPQY-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1(CNC(=O)OC(C)(C)C)CCC1 2267191686 GNPHYNFDXSOARV-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](C)N1C(=O)OC(C)(C)C 2267502506 OTYQWQAJOSDPQQ-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267506136 SOEQZYMTZFLMPU-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267884779 SQFYLLRZTPHVIE-ZIAGYGMSSA-N 446.357 2.197 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@@H](O)C#Cc1ccc(Br)cc1 2278792864 FUEYGHDQDXWIEG-HOTGVXAUSA-N 446.363 2.490 30 10 IEEE C=CC(C)(C)[C@]12C=C(O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 2294829657 JTJJJLSLKZFEPJ-PKTZIBPZSA-N 433.468 2.350 30 10 IEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)S(=O)(=O)C1CC2(C1)OCCO2 2295335596 MFCPUWBKQFRJAR-ZDUSSCGKSA-N 443.396 2.275 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(Br)cc2)C1=C(O)c1ccco1 2296160205 HADNUOLGPNWLHZ-MRXNPFEDSA-N 436.258 2.473 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)n1 2315397621 DCXJORVFENAARZ-UHFFFAOYSA-N 433.358 2.107 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc(C)c1 2330748058 XSDNYPLINSIGDM-UHFFFAOYSA-N 426.502 2.106 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2366837173 POMIYLBZQABUFF-IUODEOHRSA-N 439.306 2.478 30 10 IEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2ccc(F)cc2)c1=O 21655853 XSTOJJWPZJZWEZ-UHFFFAOYSA-N 431.493 2.430 30 10 IEEE COc1cc(I)c(Cl)cc1C(=O)N[C@H](CCS)C(=O)O 382917786 VWXHUYUKLUZYIA-SECBINFHSA-N 429.663 2.456 30 10 IEEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C2CCC2)c1=O 430988307 KYIRGGIIHYGTJQ-UHFFFAOYSA-N 440.525 2.127 30 10 IEEE N#CCN1CCC[C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 436970600 GFIRCYPGUAUPIG-AWEZNQCLSA-N 434.543 2.220 30 10 IEEE C=CCc1ccc(OCC(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c(OC)c1 473714552 LYRVEJSCMCMLSW-PGRDOPGGSA-N 438.480 2.346 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCc2c(Cl)cccc2C1 474643614 HYXXVYCGMXXFDE-HNNXBMFYSA-N 446.960 2.053 30 10 IEEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 475751787 AMQONQNELZUGJX-FZKQIMNGSA-N 439.299 2.290 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]2CCCO2)c1=O 480928194 BSIPZVYLOPSICQ-CQSZACIVSA-N 432.567 2.277 30 10 IEEE COc1ccc(Cn2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)cn2)cc1OC 494924244 SKZAFGFFCWOXAH-UHFFFAOYSA-N 432.484 2.178 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 502653500 SGLFJKZTJUQDAO-HSZRJFAPSA-N 428.533 2.467 30 10 IEEE CN(C)CCOc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 505518718 AMAGIOJQIWJEEO-NRFANRHFSA-N 449.511 2.020 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCO2 522692675 SUGFKUFUBMCSRM-UHFFFAOYSA-N 430.485 2.500 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 524246463 RRHYAWFCYXMVSR-HXUWFJFHSA-N 438.528 2.211 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cccc(C(=O)N=c4cc[nH]cc4)c3)CC2)o1 526005524 FHYKITOYYDHJEK-UHFFFAOYSA-N 444.495 2.457 30 10 IEEE CCN(C1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1)S(C)(=O)=O 532714017 CPRZGJDBZUPCPN-QGZVFWFLSA-N 436.578 2.076 30 10 IEEE COc1ccc(C[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 536084623 DHGZSARLIUFESM-KRWDZBQOSA-N 427.526 2.279 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[C@](O)(C(F)(F)F)C1 549273312 XRKPFZKXKGQPOJ-QGZVFWFLSA-N 430.452 2.428 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 554912941 AKWKNHXONMIOKX-SFHVURJKSA-N 438.484 2.385 30 10 IEEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 559006037 CVNLSQIVTHCGQH-UHFFFAOYSA-N 427.459 2.495 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 580333942 ARVPXHBYZSMACM-UHFFFAOYSA-N 426.565 2.122 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)OC)C1 619831585 YRVLKORIAWPXFZ-OAHLLOKOSA-N 432.550 2.204 30 10 IEEE Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 619850996 LMGPZHNXLDGIGT-HXUWFJFHSA-N 430.516 2.421 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 670228010 KYFLYNZHQOGSOA-INIZCTEOSA-N 430.557 2.382 30 10 IEEE Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732155450 BJAHBMIWUYVWSU-VHEBQXMUSA-N 431.290 2.424 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 742278485 JUPJOPVMUWZUKP-AWEZNQCLSA-N 443.493 2.295 30 10 IEEE C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)C(=O)N(C)CC(=O)NC1CC1 744926308 VAWLOFWKKFLPPQ-AWEZNQCLSA-N 425.441 2.013 30 10 IEEE O=C(NCC#CC(=O)N1CCOC[C@@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757471201 OVTCBRLANUBXSA-KRWDZBQOSA-N 448.475 2.088 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757898233 NNLVCKJNOIRLRQ-BSDKJSHOSA-N 435.502 2.006 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2CC)C1 760305895 WAXANMCKOZPUPI-WBVHZDCISA-N 431.562 2.120 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)CC2)n1 760778584 UPVDCSIPCJABGL-UHFFFAOYSA-N 445.932 2.109 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(-c2cccc(C(F)(F)F)c2)n1 761959526 IBYGGWQUXVKXOP-KRWDZBQOSA-N 446.433 2.337 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)cc1F 784126258 QATDSXMHFCETCM-QGZVFWFLSA-N 435.525 2.137 30 10 IEEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)n1 788332104 QNAJVJKTAUYLBN-LJQANCHMSA-N 444.919 2.267 30 10 IEEE Cn1cc([C@H](O)C[C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 788657371 IHILSMCPWNZXKF-WMLDXEAASA-N 439.335 2.331 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793316512 BELKAHIKSDSYNM-UHFFFAOYSA-N 438.893 2.238 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)cc2Br)n1 795187867 HUAYCTNTNJZSED-UHFFFAOYSA-N 442.335 2.125 30 10 IEEE CN(C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C1(C#N)CCCCC1 796416716 MEKQFZDHAIWTNB-PXNSSMCTSA-N 443.548 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 797161677 IBLUIARAXMYPOX-MRXNPFEDSA-N 437.493 2.184 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 801473432 LCEADWDAAJGQJI-PKOBYXMFSA-N 439.516 2.421 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1 806750113 IENCKQKBRKQGTJ-GTPINHCMSA-N 430.505 2.446 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 809893910 WAHWMYLXEUXNEY-KRWDZBQOSA-N 448.568 2.125 30 10 IEEE Cc1cccc(N(CCC#N)C(=O)COC(=O)Cn2c(O)nc3ccccc3c2=O)c1C 919102624 XNGQZZKXJPZBIT-UHFFFAOYSA-N 434.452 2.209 30 10 IEEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)NC1CCCC1 1084041445 RHVOCEJTOZROMU-UHFFFAOYSA-N 425.518 2.448 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(I)ccc1F 1124651375 POKYNJOVALRYIW-UHFFFAOYSA-N 441.204 2.114 30 10 IEEE CN(C)C(=O)O[C@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1129202732 HNKQPMNBFJNFNA-HNNXBMFYSA-N 427.461 2.322 30 10 IEEE COc1ccc(NC(=O)c2[nH]c3ccccc3c2C#N)cc1S(=O)(=O)N1CCOCC1 1135752878 SHENVMAOJJYJPM-UHFFFAOYSA-N 440.481 2.321 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@]2(C3CCCC3)CCNC2=O)nn(-c2ccc(F)cc2)c1N 1136200103 QKGYRABDIKKLBH-QHCPKHFHSA-N 438.507 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCC[C@](C)(C#N)C2)C1 1137759792 KAWZMRKSVMYVQK-YADHBBJMSA-N 437.537 2.486 30 10 IEEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1142006913 LMVPSLBMMHPJLR-GFCCVEGCSA-N 425.836 2.134 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)c1 1144281312 MNINABPDRHOCJK-RZUBCFFCSA-N 441.601 2.365 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)cn2)cc1 1152385284 NDBIWUPZTZOSOO-UNMCSNQZSA-N 447.470 2.085 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 1196666322 DHCFRIDELPGIGT-QKNQBKEWSA-N 449.393 2.249 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1286299543 WTKBUIUXDSGJFV-PKOBYXMFSA-N 438.557 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1C 1286301436 DVSOVMBSMJZAHM-FQEVSTJZSA-N 446.603 2.191 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286335961 GDJTZTRPSGHWAV-QGZVFWFLSA-N 430.553 2.307 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286341085 BGEUQHIENFOFPF-HOTGVXAUSA-N 436.607 2.451 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286357102 YHCZPJWGWXOTKM-QGZVFWFLSA-N 430.553 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(OC)C1CC1 1286410323 ZPUQFAVYWFHUJD-JOCHJYFZSA-N 440.573 2.126 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCn2ccnc2C1 1286433837 MOIFHWBIYGYHQH-SFHVURJKSA-N 447.568 2.192 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@H]1CO 1286440276 SLKRCLNABUWAMT-IBGZPJMESA-N 425.533 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1286561788 OWMPJDGMFAMYGC-XLIONFOSSA-N 440.548 2.396 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1286780126 CEVGJUQFAJLZRW-UHFFFAOYSA-N 442.539 2.376 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC[C@H]1C 1286817337 LYXOMIVZWBFSEU-HZPDHXFCSA-N 438.525 2.383 30 10 IEEE CN(C)C(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297988469 BXTJUGPHXWZETF-UHFFFAOYSA-N 449.490 2.021 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC1CC1 1300299258 MVDCCHUWRDJOAU-QGZVFWFLSA-N 438.557 2.414 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1cc(C)oc1C 1300528537 YGGPBETZOWRQCQ-QHCPKHFHSA-N 435.484 2.196 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1300845344 WRIJTQXDENKNPD-OAHLLOKOSA-N 434.342 2.197 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300997646 XIMSFXQFKMQHHS-SFHVURJKSA-N 427.553 2.241 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)CC1)C(C)C 1301367525 PQIHSOVWSXQDBK-WOJBJXKFSA-N 435.638 2.439 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1301609236 FRPKKZUBIIXAKI-MOPGFXCFSA-N 443.573 2.433 30 10 IEEE CN(CC1CCOCC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314816886 JNZJXWJKOLMZHL-XUTLUUPISA-N 428.537 2.325 30 10 IEEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1316535030 BOVFPDJFWLEZAX-UHFFFAOYSA-N 435.463 2.278 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1320495873 CLWNSYWYFOKKNT-LJQANCHMSA-N 432.542 2.242 30 10 IEEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)co1 1348066703 OVVHPUIWEGRQFJ-UHFFFAOYSA-N 430.486 2.025 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1358876209 FAFHJKIDPDWEOS-VBKZILBWSA-N 448.365 2.241 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1358901018 YBBLEFZLMHHYDH-MKXGPGLRSA-N 446.596 2.227 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1358936153 FDDKFBDYUXVDNU-QFIPXVFZSA-N 433.553 2.401 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](CC)OC 1358987858 VJWWNPYPOPFMKS-IBGZPJMESA-N 443.573 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnc(C)s1 1358992587 QASUFPZTGWTEFW-UHFFFAOYSA-N 430.497 2.265 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1359108766 CJBUHVQQSVLKHJ-UHFFFAOYSA-N 449.533 2.195 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCC 1359112785 SCMIHHGXFCZMOS-UHFFFAOYSA-N 426.569 2.381 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1 1359226204 ZDOMPCACTIYCOF-UHFFFAOYSA-N 428.566 2.050 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1c(C)cccc1C 1359277947 BNWCQDLTOIYQFU-UHFFFAOYSA-N 440.548 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCOC(C)(C)C 1359298944 QABNUFUIJBKKME-UHFFFAOYSA-N 439.520 2.147 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1359465577 GKDXTUVQQJPZRH-BEIWTESXSA-N 428.562 2.037 30 10 IEEE C[C@H](Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C 1360587790 POXOTNQNVNLPKF-PTDBIEIZSA-N 435.548 2.441 30 10 IEEE CC(C)[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1437146044 HUCQITLTZDAZQE-ROUUACIJSA-N 442.516 2.493 30 10 IEEE C=CCNC(=O)CNC(=O)c1csc(I)c1Br 1446850844 ZGPCZHIFUWIEJJ-UHFFFAOYSA-N 429.077 2.147 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)Cn3cnc(C#N)n3)c3ccccc3O2)C1 1456875897 BPXPCNISXXDALU-ZHRRBRCNSA-N 438.488 2.169 30 10 IEEE C=CCn1cc(CNC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)nn1 1461058942 QGDUCTVVWAYCPN-UHFFFAOYSA-N 447.542 2.046 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CC1 1470365767 FMELMIARQBAYNE-UHFFFAOYSA-N 434.901 2.447 30 10 IEEE Cn1cc([C@@H]2C[C@H](NS(=O)(=O)c3cccc(Br)c3C#N)CCO2)cn1 1475446324 HYIHYBKEJXGVTN-DOMZBBRYSA-N 425.308 2.253 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1499942725 GGIWFUALQPQINY-NRFANRHFSA-N 431.562 2.381 30 10 IEEE CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1500316382 IRIMBLVFNYTUTN-UHFFFAOYSA-N 449.559 2.278 30 10 IEEE CCN(CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1501805930 HDDJVKXLVNJJRO-QZTJIDSGSA-N 428.537 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NC)c1 1507541132 FWYAWEARRNYQDW-HNNXBMFYSA-N 436.541 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1nc2cccc(Cl)c2n1C 1507543961 XSTFUIAYZBPPCC-CQSZACIVSA-N 425.924 2.447 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cnnn1 1507544355 VGCKKECSVNRLHE-CQSZACIVSA-N 445.325 2.154 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1507635904 WDNCRSZKXLBIFQ-IAGOWNOFSA-N 436.628 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H](C(F)F)N1CCOCC1 1507644502 JFWFKHUEDWUPPL-KRWDZBQOSA-N 448.905 2.422 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCS(C)(=O)=O 1507793069 BYOMKUTWNKSTJA-PKOBYXMFSA-N 434.562 2.416 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)C1 1510292696 PBVWCBHVQLZHQB-DENIHFKCSA-N 427.505 2.320 30 10 IEEE CCCNC(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1514996669 QEOXHEKZSWROFG-UHFFFAOYSA-N 444.543 2.368 30 10 IEEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1516663737 SUCLQPIDIAGQKU-LPHOPBHVSA-N 438.598 2.225 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 1525711536 LLEUSQSHBMTNAU-UHFFFAOYSA-N 443.257 2.390 30 10 IEEE C#CCCOc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1537556184 CBLLBRMWGODYRC-HXUWFJFHSA-N 435.528 2.114 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1539284970 WTPIDNCGBZUNRU-GUDVDZBRSA-N 432.590 2.237 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCc2nc(C)cs2)CC1 1539428673 VNEMICUCVJUYNS-UHFFFAOYSA-N 441.605 2.057 30 10 IEEE C=C(C)COCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539759975 PUZXQTMVXXWKNU-USTZCAOPSA-N 449.552 2.203 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOC(C)(C)C1 1539799567 QFOHIKQPJIREKC-UHFFFAOYSA-N 436.944 2.305 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H]1c1nncn1C 1540899920 FFGHMSQQBRFOPI-SFHVURJKSA-N 441.561 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccnn2C)CC1 1540902741 PDKDPOPAGIFEAO-IBGZPJMESA-N 448.593 2.238 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540914860 DJVZGIMFRQURCD-GOSISDBHSA-N 428.562 2.181 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCCC1 1541472403 HOTWSHPVTFCGKZ-IBGZPJMESA-N 437.596 2.339 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1 1541815124 CQYWAKLBSWNLDO-CQSZACIVSA-N 425.518 2.128 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1557484704 ZLXWJFYCVVYOCJ-UHFFFAOYSA-N 443.548 2.465 30 10 IEEE N#Cc1cnc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c(Br)c1 1559144108 YOVFZFKJALOTMW-CYBMUJFWSA-N 427.258 2.217 30 10 IEEE N#Cc1cccc([C@@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CCO2)c1 1564845702 AZYNQPFTCOAZGA-KRWDZBQOSA-N 431.290 2.266 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCO[C@@H](c2ncon2)C1 1567518286 CECHYSYPBLSFPF-QZTJIDSGSA-N 439.472 2.376 30 10 IEEE C#CCN(CC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC(C)(C)C 1583258603 IURJGBFIFUQOHZ-HDICACEKSA-N 443.544 2.423 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)[C@H]1c1nccn1C 1584070862 IWVIJTXYDLNDJR-JQFCIGGWSA-N 436.299 2.396 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C(F)(F)c3ncccc3Br)CC2)c1C#N 1585101449 XLDZHAVQCJAFDG-UHFFFAOYSA-N 439.264 2.198 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1587777342 BEMZTVZYNRLDCI-UHFFFAOYSA-N 427.578 2.431 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1588029030 CEEKMDJWLSORRP-PEXPKUBFSA-N 434.606 2.360 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(SC)cc1 1588140127 UEEZTTKJDHYAGC-SFHVURJKSA-N 428.583 2.218 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1588387166 RPXBMONJLUOOIZ-JKSUJKDBSA-N 444.557 2.020 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1594720468 MGZTYHULISPGNC-KRWDZBQOSA-N 435.532 2.263 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1594744548 UDUFBNUMCXXATI-SFHVURJKSA-N 432.594 2.338 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC(F)(F)CO1 1603673765 LHOPKOHURUKOSG-QGZVFWFLSA-N 431.491 2.494 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@](C)(O)c2ccccc2)n1 1612502422 HOAYTGYJHILXPD-REWPJTCUSA-N 435.532 2.166 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OCC 1624252250 UWJZIHOCLJJKSS-AWEZNQCLSA-N 428.894 2.044 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1 1626234708 FDBUSZSLJAPYAS-QGZVFWFLSA-N 441.557 2.281 30 10 IEEE COC(=O)C[C@@](C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1632485744 PCBZIUIJUKWHAL-OAQYLSRUSA-N 435.546 2.134 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1 1633958814 SHUXBGWOYWXQAH-AVRDEDQJSA-N 447.557 2.260 30 10 IEEE C#CCN1CCC(NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1638678668 PMMCEDHMFBDJRV-UHFFFAOYSA-N 427.364 2.217 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC#C[C@H]2CCCCO2)cc1Br 1647808073 PCOBGSNAUKAPLN-CQSZACIVSA-N 429.336 2.002 30 10 IEEE O=C(CCC(=O)N1CCc2sccc2C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649035686 IVJWPELUVBHLJF-UHFFFAOYSA-N 441.509 2.317 30 10 IEEE CC(=O)N1CCc2sc(S(=O)(=O)NC3CCN(c4ccccc4C#N)CC3)cc2C1 1656278001 IFYBTEDTTVVBCV-UHFFFAOYSA-N 444.582 2.472 30 10 IEEE C#CCN(C)CCCNC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1676138870 QLVFCUYPXQLZDS-UHFFFAOYSA-N 439.526 2.472 30 10 IEEE Cn1cc([C@@H]2CSCCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1682226061 BINGSSNVMWCRLY-PMACEKPBSA-N 438.557 2.282 30 10 IEEE C=CCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1682852180 FHZBZYIXVHIUFY-UHFFFAOYSA-N 429.564 2.153 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 1685217250 ITZNXIKHPQZVOJ-NRFANRHFSA-N 442.541 2.233 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c1C 1685441594 SIJYINUOMAFIRW-UHFFFAOYSA-N 447.586 2.465 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1689941910 XPGPAOZUNIMUCL-IRXDYDNUSA-N 430.553 2.465 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1689961063 JYDJKBDKVZYSDG-IAGOWNOFSA-N 435.532 2.163 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689996703 MLROIXJKMJAFOP-VQTJNVASSA-N 442.589 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCc2cc(OC)ccc2OC)CC1 1690138373 ZXENZDBLEUILMC-UHFFFAOYSA-N 425.533 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCC(OC)CC2)CC1 1690145980 CFLMVDFXBIZIRQ-CKHPTIKVSA-N 443.592 2.343 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694040375 DCCFSDUXMAAYEW-JLXAXMFCSA-N 438.536 2.045 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705556585 SUAKAFGBOFFQKJ-AWEZNQCLSA-N 440.495 2.223 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCN(C)C1 1705573598 KBJCUJDLSODWPE-HTAPYJJXSA-N 427.936 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1705599482 ZUTWUPIQLXQEIG-SFHVURJKSA-N 425.558 2.016 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@](C)(O)CCOC)CC1 1705635347 WLXVNSSBAMYRIW-ZJSXRUAMSA-N 425.577 2.363 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N(C)C 1705670321 PNGXGKDVINFJBB-HSZRJFAPSA-N 441.532 2.441 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)CC1 1705782361 VPTDXQBQVSQIIW-HNNXBMFYSA-N 433.525 2.059 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705818985 AMJUFBMWBQOIPT-MRXNPFEDSA-N 434.541 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705900078 PJVBBFZDPRMYNN-IBGZPJMESA-N 442.470 2.442 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@](=O)CC)C1 1705920822 FUJWFPZSXLFLPB-NOVUIFNWSA-N 432.546 2.266 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1706923675 KVILIOCWGKTZAJ-DZKIICNBSA-N 443.483 2.284 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1coc(-c2ccccc2)n1 1712565714 GOADGLMCMBMMIQ-LPHOPBHVSA-N 438.488 2.434 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1712577924 KSUAWSOOSGROJB-LJQANCHMSA-N 434.500 2.451 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)(F)F)C1 1712691840 FNZPDWVSLJWEOD-OAHLLOKOSA-N 443.451 2.367 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722361304 HAMXNXTVLDJUCH-LEWJYISDSA-N 441.601 2.446 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1722527481 KZAPODLKVSDXQL-UHFFFAOYSA-N 432.491 2.083 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N2CCOCC2)CC1 1722568103 APNVOLSGMHNKOR-QGZVFWFLSA-N 430.578 2.147 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722619307 YDLRESLVQBBOIX-UHFFFAOYSA-N 429.594 2.001 30 10 IEEE C=CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722623417 USNMGBWCZZPDFL-XXBNENTESA-N 447.580 2.113 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1722738622 MNSYIYBOTQPTTE-GVDBMIGSSA-N 426.608 2.105 30 10 IEEE CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1724069322 HBLBPSUNRVOALN-UHFFFAOYSA-N 426.546 2.399 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1730439867 YYPDQJRDYWPCGK-QHCPKHFHSA-N 438.532 2.260 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)C1 1731001113 UUBHZLZQSKUJKZ-LJQANCHMSA-N 436.497 2.343 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1740589239 SIPDAHSOKILYRF-UHFFFAOYSA-N 430.516 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1740751036 XGMXRXQNUUQTFD-MOPGFXCFSA-N 446.596 2.140 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740865545 WZGNFSZHZTYWRV-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1740900683 WIFMAYWQIIUHPH-ICSRJNTNSA-N 445.589 2.353 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1740957383 LYARGEKHBPGNOD-GOSISDBHSA-N 447.543 2.298 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CCO1 1741753361 CGTMHNNRRIGNIW-FQEVSTJZSA-N 440.548 2.315 30 10 IEEE CCCCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1745489113 AOFJXORKPJLDDK-IPMKNSEASA-N 436.626 2.431 30 10 IEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1746985199 ADEVBRHYPHMKOX-IBGZPJMESA-N 426.521 2.212 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(F)(F)F 1748404476 FHCLGGHMCROBSS-XJKSGUPXSA-N 436.438 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)N(C)C)c1 1748689922 KEABVPDAOMYPOG-YYWHXJBOSA-N 439.560 2.405 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1748811491 HVZYUGKTRKOMRZ-MRXNPFEDSA-N 442.570 2.088 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748814900 LDQWXTULLZWXAG-SFHVURJKSA-N 444.557 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1748836230 RZOVREGGONBKDV-IBGZPJMESA-N 442.523 2.061 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1749368090 ARMJECBVJQOPBR-QGZVFWFLSA-N 425.599 2.450 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1749429431 LYIRVKUZFBGGNV-AQNXPRMDSA-N 429.613 2.190 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1749731514 GEISWPNLCLDFCA-MSOLQXFVSA-N 426.583 2.372 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1750390346 KJAPRBRLBJHHDM-GRNWLOBZSA-N 439.520 2.176 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1760110171 AURBYFPZSRVXOV-HZPDHXFCSA-N 426.546 2.308 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1760188164 MWNSMYTVYCRCQE-GVDBMIGSSA-N 449.602 2.059 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCN1CCc2sccc2C1 1760250952 PFXDXNZZSPTNFA-UHFFFAOYSA-N 436.585 2.470 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760340753 MZINPPAQMYXCSD-MRXNPFEDSA-N 444.502 2.066 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1760355270 DIOFSHPRPYEDMH-UHFFFAOYSA-N 448.531 2.118 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1760368536 FSNNRUOHWPOZPU-UHFFFAOYSA-N 437.953 2.160 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1760555478 GNORBOZIRAXGQV-FUHWJXTLSA-N 432.546 2.170 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C[C@@H](C)C1 1760558841 BYUIFOYLMYGPHD-BDXSIMOUSA-N 426.583 2.085 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H](C)O1 1763577760 CVBXIDXQXXNEOE-GDBMZVCRSA-N 448.474 2.114 30 10 IEEE CCCN1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C#N)C1 1766114425 URSQTNWXYDRJII-OALUTQOASA-N 431.585 2.190 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1767033049 ODHAIOXEFKFRRJ-SFHVURJKSA-N 442.564 2.480 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CC)c2)CC1 1768174011 UUAAJWSPAQFNTA-UHFFFAOYSA-N 434.548 2.240 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1768449843 SZFYNRGUNKEQKW-APFMSCDFSA-N 435.488 2.076 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCOCC1 1768994850 HAVNDUVENAIVCK-UHFFFAOYSA-N 449.353 2.328 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1769551402 GWRBRJMIRLNKRQ-KNQAVFIVSA-N 436.520 2.037 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C1 1770726293 CUPGTVGYCNQSRQ-IBGZPJMESA-N 448.480 2.120 30 10 IEEE COc1cc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)ccc1-n1cnc(C)c1 1851607217 TVFSRRJYBKMFTB-UHFFFAOYSA-N 446.511 2.435 30 10 IEEE Cc1cccc(CN2C(=O)N[C@@]3(CCN(CCNC(=O)Nc4ccc(C#N)cc4)C3)C2=O)c1 1852258720 NPLXGMDUVLXALK-XMMPIXPASA-N 446.511 2.185 30 10 IEEE C=CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1855552802 KLSVSTYUVAUVBY-GOSISDBHSA-N 439.965 2.130 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862628937 KGVRMTQYEZXNAR-SFHVURJKSA-N 425.393 2.074 30 10 IEEE C=CCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(C[C@H]2COc3ccccc3O2)C1=O 1863525212 AFJMSIHGSUNLDH-INIZCTEOSA-N 436.464 2.399 30 10 IEEE CN1CCN(c2ccc3[nH]c(C(=O)Nc4ccc(C#N)cc4[N+](=O)[O-])cc(=O)c3c2)CC1 1866525569 NONDDRZMPRVERE-UHFFFAOYSA-N 432.440 2.312 30 10 IEEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870810696 OARGSJYBELPXJK-UHFFFAOYSA-N 426.498 2.116 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cnc3sc(C)nn3c2=O)c1 1889779195 YNBDJMUPIOFJCB-UHFFFAOYSA-N 425.514 2.118 30 10 IEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)C(C)C 1995365690 NQKUPZRTEMTRGU-JTQLQIEISA-N 444.058 2.278 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2010225455 ONWIKDXKTLCKKP-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060635123 IECNCIPJBRJRSK-KRWDZBQOSA-N 433.358 2.379 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2060773914 VITBSDVYQATMMB-QHAWAJNXSA-N 442.560 2.495 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2[C@@H]1CO 2232307288 RRPVNCSLHABIGV-JQHSSLGASA-N 445.369 2.045 30 10 IEEE CC[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243390345 SZAKDRYNCJSNIJ-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2243423150 SXLLPYRMXSIXJM-NWDGAFQWSA-N 425.360 2.474 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2247902022 RTFWWSSLERUHHN-UHFFFAOYSA-N 425.363 2.400 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2250301506 OTVCWOQFPKFWHD-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254790079 HLFOGNKUIAAEGI-WBVHZDCISA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H]1CCO 2254803145 QXINUUDXPXWHOC-KRWDZBQOSA-N 433.358 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2COC[C@H]21 2255362667 HRPOZFHLLHCNDZ-HZPDHXFCSA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255594673 DNNFLADBVMCNGD-CQSZACIVSA-N 434.346 2.227 30 10 IEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618706 JCGJDTAQQZIXFB-UHFFFAOYSA-N 436.362 2.476 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2255651166 HKWDGFFYWXUVSV-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE COc1ccc(C(=O)NOCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255806880 LNUUKXVOZKWHMV-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844426 WSQWYTAIDOBRMH-OAHLLOKOSA-N 434.346 2.055 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255882708 TYKDDQXNKOGANX-ZBFHGGJFSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CNc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2255995512 WGZNLNPRYBWCJB-AWEZNQCLSA-N 437.302 2.192 30 10 IEEE CC(C)(C)OC(=O)NOCC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2256624195 KZFHQBIFDCZEGG-UHFFFAOYSA-N 432.326 2.327 30 10 IEEE COCC[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2256721227 RBKCVCITYQSZJZ-QFIPXVFZSA-N 436.358 2.401 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2266747398 MMCZNHZKBZZKPH-UHFFFAOYSA-N 447.341 2.392 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267009196 KEZLHBWIBSEXQR-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2267168664 UBWODBKQHDJAIZ-OAHLLOKOSA-N 446.357 2.294 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267184471 MWMUMRZCTQYTHI-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CC1(C)OCCO1 2267366408 FYZDWJSDEHRVTC-ZDUSSCGKSA-N 431.385 2.115 30 10 IEEE Cn1ncc(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267509881 BXJHUMOACXQKQK-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)o2)OC1(C)C 2267555884 AIQZQKHEXRCTGB-UHFFFAOYSA-N 440.349 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)C2)C1 2268894122 PHAGQMOASHVEAY-UHFFFAOYSA-N 447.385 2.328 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)C1 2301495499 XRVSYVWOKGCFBL-AUSIDOKSSA-N 449.617 2.310 30 10 IEEE Cc1cc(CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652157 YWTMQUQPGJHKRC-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@@H]1CCCN(C(=N)N)C1 12503662 MRNGXYMKYHNMLV-GOTSBHOMSA-N 446.551 2.282 30 10 IEEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 27559305 PEPFXJAOJMECRI-UHFFFAOYSA-N 429.590 2.137 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCc2nnc(-c3ccccc3)o2)n[nH]1 59888438 LMMYDEWGLPTQAR-KEBDBYFISA-N 439.505 2.399 30 10 IEEE CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c(C)c1 238857669 KDAMEYRUBWIQJW-INIZCTEOSA-N 429.502 2.237 30 10 IEEE O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 254484753 ZLSCFQFTIAYTIY-RBUKOAKNSA-N 430.551 2.405 30 10 IEEE Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)s1 435228598 BDMQZNLNTNHINU-UHFFFAOYSA-N 433.964 2.147 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n(C)n1 445247170 HWLHZQCQEJIHAH-AZUAARDMSA-N 435.532 2.064 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)s1 477631384 FZDYEGKKDAOZOA-UHFFFAOYSA-N 437.546 2.059 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 478747784 PFZLOTLBJSCCMK-MRXNPFEDSA-N 425.510 2.062 30 10 IEEE COc1cc2c(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ncnc2cc1F 479823859 RWWAUMKYMWZPRY-UHFFFAOYSA-N 427.461 2.160 30 10 IEEE COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 488918380 UXCBDTUFJMXETC-MRXNPFEDSA-N 438.502 2.084 30 10 IEEE Cc1c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1CC(C)C 499999241 LEUGBDSBTBCMTN-UHFFFAOYSA-N 430.534 2.258 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 514685007 GCKKWMHHTBKJNF-SFHVURJKSA-N 435.480 2.009 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc2C1=O 534185438 OLSWCBPVZDVLEJ-DENIHFKCSA-N 433.508 2.081 30 10 IEEE Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 534356986 GOLMQXSGPFXHSA-UHFFFAOYSA-N 440.525 2.047 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 543712125 GVEDFXCDAYFIQI-XUVXKRRUSA-N 438.366 2.188 30 10 IEEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(C#N)n2)CC1 544881511 LSAVAGMOFIHEGU-GOSISDBHSA-N 434.544 2.123 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)CC2)n1 546217594 XDQMXHNQUUDLKV-UHFFFAOYSA-N 428.496 2.195 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2Cc2ccccc2)CCO1 558913460 LXNIFXQONYSXLQ-QGZVFWFLSA-N 437.529 2.015 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 579290817 NIDKBMGZRJBTAY-UHFFFAOYSA-N 440.456 2.479 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(c2nnc3n2CCC3)CC1 604125160 VPGYMPYBQJZPGO-UHFFFAOYSA-N 439.564 2.369 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc(Br)cn2)cc1 604547562 FZFXMOVEOUUKNM-OAHLLOKOSA-N 434.319 2.448 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCCN1CCN(c2ncccn2)CC1 609176066 AFVHTEMXSGCSKM-QFIPXVFZSA-N 436.560 2.470 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 679755566 VYXCQFHRAIOIGD-GOSISDBHSA-N 426.513 2.490 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727417451 FQDJJMJGRMKHFE-UHFFFAOYSA-N 435.505 2.099 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccc(C#N)cc2F)C1=O 729818159 IICYNZALMLPWLJ-QGZVFWFLSA-N 439.472 2.064 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2csc(N(C)C)n2)C1=O 747447597 BPNUUEAMMYGRDF-HNNXBMFYSA-N 428.543 2.349 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCCCC2=O)cc1 756925804 WVFYMRYFSVLTEY-QGZVFWFLSA-N 433.516 2.285 30 10 IEEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc(Cl)c(O)cc2Cl)CC1 758109325 HZGARXUMKCRSSI-UHFFFAOYSA-N 444.344 2.476 30 10 IEEE CCc1nn(C)c(OC)c1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 763451221 XBUDPAJBOCKMPB-INIZCTEOSA-N 433.509 2.398 30 10 IEEE CCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CN(C(=O)OC(C)(C)C)C1 775986700 MJHLXPYWWGQGFQ-SFHVURJKSA-N 447.605 2.398 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 777756055 VGESSLBMZIJEJB-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1F 778110527 MINDSJPPRJGOHH-UHFFFAOYSA-N 444.532 2.364 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)ncn1 790739200 NJVCTKCMFUCCGO-MRXNPFEDSA-N 432.575 2.046 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790864932 UBFCZARIQCYSBC-CYBMUJFWSA-N 434.440 2.260 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 795869458 UGCFISAPSNPCCG-UHFFFAOYSA-N 428.533 2.008 30 10 IEEE C[C@H](C(=O)O[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)n1cnc(C#N)n1 798743145 ZLNPLCWCIBCDRE-JLTOFOAXSA-N 433.424 2.040 30 10 IEEE CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1 807933028 PUFUTKUDBKUHBH-QGZVFWFLSA-N 428.518 2.014 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 808236468 FEGYOEDECDPWOV-JKXTWKSPSA-N 427.505 2.270 30 10 IEEE Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2=O)cc1 917016927 FZYMBTNCGJJYJH-YLJYHZDGSA-N 432.480 2.397 30 10 IEEE CCOC(=O)c1ccc(NN=C2C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cc1 1084537527 GUUFGTCYSZYVHN-UHFFFAOYSA-N 440.441 2.030 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C(F)(F)c2ncccc2Br)n1 1128571008 WZRWPHYYOHMVBG-UHFFFAOYSA-N 427.249 2.441 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1 1135814579 TZKTZXZPIFJTSG-UHFFFAOYSA-N 436.415 2.475 30 10 IEEE COCCN(C)CCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1141599511 OHSRETIRAZSONV-FQEVSTJZSA-N 430.549 2.477 30 10 IEEE Cc1nnc(S)n1CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1147361342 LROKAKXSLLUGLL-KRWDZBQOSA-N 442.545 2.398 30 10 IEEE N#Cc1c(F)cccc1C(=O)N1CCC(n2nncc2I)CC1 1147390483 NCSGVWADRPHICW-UHFFFAOYSA-N 425.205 2.371 30 10 IEEE CC(C)CNC1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1149173045 ZLEXSFCPGXCNBR-KPRXVCGWSA-N 448.608 2.372 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(=O)OCc1ccccc1 1153194600 JQHJTJOEHSLYCL-CVEARBPZSA-N 426.897 2.243 30 10 IEEE C#CCC1(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CCC1 1156395778 JLHAEOFERPAOHS-UHFFFAOYSA-N 429.336 2.050 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1164674038 UEMHPQBHWNFJAL-GOSISDBHSA-N 444.509 2.153 30 10 IEEE COc1cc(OC)c(CNC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)c(OC)c1 1196861278 NTLZRLMLZZCFLO-UHFFFAOYSA-N 439.512 2.496 30 10 IEEE CO[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 1233717420 CNOGLJPPCANJJP-FQEVSTJZSA-N 434.562 2.169 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1286348604 MJFHJEOJNJJSQM-HXUWFJFHSA-N 434.544 2.384 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286526323 QEQFRYFFANFZJI-VGOFRKELSA-N 445.564 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1286561422 FAHGGBHPEJFKSG-KURKYZTESA-N 439.626 2.322 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286708778 ZATARIKDOAGDHP-UHFFFAOYSA-N 437.566 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286784052 VHQHTRCGDIORCO-QRWLVFNGSA-N 441.532 2.268 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286792352 VKQZJHWSZMZOQI-MSOLQXFVSA-N 442.564 2.087 30 10 IEEE CC(C)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287206097 IKYYRIOFFTXSNR-BSBNDGSWSA-N 438.536 2.045 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1288704637 CVHLZPRUKOYXBT-IBGZPJMESA-N 434.548 2.118 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1291388798 CUQVRUSPTHWRJG-IERDGZPVSA-N 433.578 2.485 30 10 IEEE COc1cc([C@H](C#N)NC(=O)CC2(NC(=O)OC(C)(C)C)COC2)cc(OC)c1OC 1292363002 ZEGXYWVXXHZVMR-AWEZNQCLSA-N 435.477 2.077 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1295315475 WFVGJSQTYFVZQK-VQTJNVASSA-N 449.559 2.180 30 10 IEEE C#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1F 1297712993 PWNIDWBJNMGMFO-ROUUACIJSA-N 433.842 2.012 30 10 IEEE N#Cc1cn(CC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(=O)nc1O 1297779985 CCGGOVKRSAVMBH-KRWDZBQOSA-N 436.390 2.123 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCCCCS(C)(=O)=O 1298283254 ADYVNZUSDZFBER-UHFFFAOYSA-N 439.545 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H](O)C1 1300300405 ZFDNCIBBQSZDDQ-YESZJQIVSA-N 430.578 2.247 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1300482486 GFWHGNJRPFKNKE-QWNKOJSDSA-N 429.502 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C(CC)CC)N1CCOCC1 1300574539 CFHVVIVCIUDYGA-QFIPXVFZSA-N 437.592 2.279 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(SC)c1 1300648332 FVPJIPJLRVPYDK-UHFFFAOYSA-N 437.529 2.177 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1300898120 WHRMKNZYUKOWNL-TZIWHRDSSA-N 437.548 2.389 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1)OC 1301010987 LLGONBHHTXPTLY-LJQANCHMSA-N 429.521 2.313 30 10 IEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1301372082 IJVAWXYNMFNOCO-UHFFFAOYSA-N 445.593 2.250 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCCCC1 1302310727 CTDHMMFDTMPDHW-IHPCNDPISA-N 433.553 2.470 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)C[C@@H]1O 1302839610 RUTCUWANKRKNDO-QFUCXCTJSA-N 425.533 2.467 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(C(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1304005851 JTEBFXAVSDZKNS-SFHVURJKSA-N 425.537 2.300 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1 1313467870 CORYKWZFCWJPRH-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE CN(CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1)CC(F)(F)F 1314865335 NWPQQSWVSHWFKF-UHFFFAOYSA-N 448.497 2.318 30 10 IEEE CN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)cn2)CC1 1351894330 GXGVGNKNBYDSNP-MRXNPFEDSA-N 438.919 2.350 30 10 IEEE CCOC(=O)c1c(NC(=O)C2CN(C(=O)C3CCCCC3)C2)c(C#N)cn1CCOC 1353662835 AJVQBHIVQJZXAY-UHFFFAOYSA-N 430.505 2.160 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)n1 1359018538 SZMAJBUVTROZSX-UHFFFAOYSA-N 436.438 2.062 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@H]1CC 1359127714 YCWOMOAPIDDYAF-OAHLLOKOSA-N 437.342 2.343 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](Cc2ccccc2)OC)CC1 1359159423 VVOCMJQZXMDTID-PKOBYXMFSA-N 433.578 2.302 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359235877 QTBBYJIQUZEIHZ-VZCXRCSSSA-N 438.488 2.111 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1359254465 SGQWKDRNTSIVNQ-XMSQKQJNSA-N 443.573 2.298 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2ncccc2c1 1360671012 BASWQPSSMDFOKH-HNNXBMFYSA-N 439.545 2.225 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)[nH]2)c1 1445869106 ZUFYDAWESLEHIK-OAHLLOKOSA-N 441.538 2.166 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccc(Cl)c(F)c3)c3nn[nH]n3)CC2=O)cc1 1447439152 ASIPLGGMUPDIEG-ACJLOTCBSA-N 439.838 2.123 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)ccc1F 1454259342 ISZXKTKJQDCOEM-GOSISDBHSA-N 435.496 2.086 30 10 IEEE C=CC[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1460522120 MBXYBTHAKDARFS-OAHLLOKOSA-N 427.954 2.197 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 1469656397 ZUZZAABWUFTSCZ-UHFFFAOYSA-N 435.509 2.186 30 10 IEEE C=CCC1(O)CCN(C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1471936318 YFOWHKNGWKSLIF-UHFFFAOYSA-N 429.521 2.340 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 1475842521 TZBGSFKBKQUARO-GOSISDBHSA-N 431.562 2.157 30 10 IEEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CCO2)n1 1492759529 GOZHXCWRWPQVDQ-KNQAVFIVSA-N 448.575 2.486 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nnc2n1CCCCC2 1504965991 QLGCBMXYBIBPFE-IERDGZPVSA-N 446.531 2.005 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1507576287 LAVDDQUPLBIIAB-OAHLLOKOSA-N 427.505 2.051 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507635330 RZYKYYTVLAKABI-JLMWRMLUSA-N 436.622 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H](C(F)F)N1CCOCC1 1507644505 JFWFKHUEDWUPPL-QGZVFWFLSA-N 448.905 2.422 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507664445 RMKVJBHTGRUXSL-HXUWFJFHSA-N 439.585 2.252 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1507719732 ALQHIMQFCGLESA-GOSISDBHSA-N 429.590 2.140 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)c(OC)c2)CC1 1507725163 QDSMJPVBPUNKDC-UHFFFAOYSA-N 434.544 2.299 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1507727746 LZXUBRCWCIODFP-NQIIRXRSSA-N 428.606 2.450 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507746947 HBDSCKOIGQFEGN-UHFFFAOYSA-N 448.531 2.439 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccon1 1507748927 QZFNKYVRTYLDPL-UHFFFAOYSA-N 431.543 2.339 30 10 IEEE CCN1C(=O)C[C@@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)[C@@H]1c1cccc(C)c1 1516423443 GYQWDQIARIGYDM-KNQAVFIVSA-N 434.544 2.167 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1 1517072758 AFGOGEVDEYJLRD-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCS1(=O)=O 1517127267 DMRJSRXOGCQWNT-SFHVURJKSA-N 437.529 2.210 30 10 IEEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1517146436 HOVSJDINVOSWGP-KRWDZBQOSA-N 440.529 2.328 30 10 IEEE COCCN(CC(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1)C(=O)OC(C)(C)C 1536335737 LSJOKQCXQMVDSJ-OAHLLOKOSA-N 437.493 2.277 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1539013297 INJQPJVMYHKJNW-PXNSSMCTSA-N 429.590 2.138 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1539094379 OYCLHLIQJOUINI-YLJYHZDGSA-N 445.589 2.442 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1539196189 FNUBHZRBABWALM-QZQOTICOSA-N 436.541 2.475 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1539599404 FEKGEERQNNVOIL-ZDUSSCGKSA-N 435.388 2.340 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539976865 GJIVSTNWVHBWRP-QFIPXVFZSA-N 425.537 2.193 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1540878604 BWXZTHBBZIQREY-NRFANRHFSA-N 427.549 2.431 30 10 IEEE CC(=O)N1CCN(CCn2c(COc3ccc(C)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 1541006958 HLHCKJRJCREUKO-IBGZPJMESA-N 439.564 2.068 30 10 IEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC=C(C)C2)CC1 1541006971 HWXWTGWMGSECNG-UHFFFAOYSA-N 449.559 2.049 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@H]1CCOC1 1541472058 WMYSLNPWQMZUAY-FQEVSTJZSA-N 439.564 2.265 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)NCC)CC3)s1 1544389663 AWJNEISEIUHFSM-UHFFFAOYSA-N 448.570 2.486 30 10 IEEE COc1ccc(OCCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1554983085 SQXNUSDDNBRCMP-YLJYHZDGSA-N 427.505 2.379 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl 1557386827 LTUJNFRNERXJLY-UHFFFAOYSA-N 449.356 2.465 30 10 IEEE COc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1562832653 CCSBMRNIBHWKFZ-OAHLLOKOSA-N 431.474 2.019 30 10 IEEE CCOC(=O)c1cnn2ccc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc12 1563341174 GVAXMQLHIUISMC-XJKSGUPXSA-N 442.476 2.392 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1 1567721386 HNCOPGCNBIDKCF-NRFANRHFSA-N 438.505 2.479 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(C#N)CCC3)CC2)cc1 1570423910 GNRYZVXYBQFRMK-UHFFFAOYSA-N 433.530 2.074 30 10 IEEE C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1OC 1583799094 OIZMHMXAWPWXTC-UHFFFAOYSA-N 445.541 2.052 30 10 IEEE CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NCCC#C[Si](C)(C)C)cc1[N+](=O)[O-] 1584145726 SPZHLVOKYPEHOS-UHFFFAOYSA-N 440.598 2.081 30 10 IEEE COc1ccc(N2CC[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cc1 1584229740 LIKOJOQPOMYMLD-DYESRHJHSA-N 447.495 2.167 30 10 IEEE COC(=O)[C@@]1(OC)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1584937343 JHAQQTRBVBRFRS-WZONZLPQSA-N 443.500 2.183 30 10 IEEE CC(C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)C(F)(F)F 1587970537 WEPMLPREFINEAJ-INIZCTEOSA-N 435.468 2.104 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1588049578 IREFHQXHDPWDGG-IBGZPJMESA-N 428.562 2.196 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC1(O)CCOCC1 1588113954 WVCFXTKYAOKJGF-UHFFFAOYSA-N 438.528 2.357 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1588420956 WBTGFEFXFHDDNS-KRWDZBQOSA-N 438.548 2.449 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnnn1C 1588574354 FQPLAYUPPIXFHE-HNNXBMFYSA-N 429.912 2.334 30 10 IEEE C#CCC1(O)CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1588765098 FHJCVYGWDAKCPS-UHFFFAOYSA-N 432.464 2.141 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)NC2CCCCC2)CC1 1588947175 LZLYIZMMMNLTOV-UHFFFAOYSA-N 442.608 2.281 30 10 IEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)(=O)CC1 1593630549 JYDPNWBPOFLZDT-UHFFFAOYSA-N 439.582 2.204 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1596814432 WKDURWZABOJNJL-KGLIPLIRSA-N 443.458 2.212 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc4c(F)c(Br)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1597371350 CDAZQPWBBQMFIU-FVMDXXJSSA-N 426.267 2.080 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@H]1CCCOC1 1603346457 RNLACFVLNMTCIO-INIZCTEOSA-N 445.545 2.472 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCCN3CCCC3)CC2)c1C#N 1612469509 BCAXMOCYVTZSMN-UHFFFAOYSA-N 439.612 2.302 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612863876 XTXSJTGAXLRBGQ-IWKHNONTSA-N 440.479 2.369 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1616950032 HYDKTOUOCHAVBS-OAQYLSRUSA-N 440.548 2.066 30 10 IEEE C#CCN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)C(C)C 1620603317 BIAORDZPUHQJHR-WQRHYEAKSA-N 445.566 2.076 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)n[nH]2)c1C 1623321525 LQPKVLCDWZKKQY-LBPRGKRZSA-N 428.518 2.214 30 10 IEEE N#Cc1c(CCCNC(=O)Cc2ccc(-n3cnnc3)cc2)nn(-c2ccccc2)c1N 1625331337 AFPNTXXEQWRKAT-UHFFFAOYSA-N 426.484 2.198 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1627980187 ILARMVNHHZJILK-NTKDMRAZSA-N 440.544 2.480 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1629326027 GAHNSTRDKCFYJI-DLBZAZTESA-N 449.552 2.118 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3c(O)ncnc3c2)cc1 1630385835 FZXYIPJGBOKIGV-MOHJPFBDSA-N 425.470 2.401 30 10 IEEE Nc1c(I)cc(F)cc1C(=O)NCc1ccc(C(=O)NO)cc1 1634104786 LRCWYBDXUOCSKQ-UHFFFAOYSA-N 429.189 2.062 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1636005912 RKBXLLAXLPOHGE-HNNXBMFYSA-N 438.912 2.218 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)c1 1637178501 IUHLKZACGRFWGD-WOJBJXKFSA-N 428.510 2.221 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C1CCN(C(=O)OC(C)(C)C)CC1 1645458200 OFZIKLSIYKYQNP-IBGZPJMESA-N 429.521 2.083 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC[C@@H]3CCOC3)nnc12 1648783802 CNEQMRDEAHHSDY-OAHLLOKOSA-N 427.530 2.255 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 1654001757 KVWWUXAVZHCCEW-OALUTQOASA-N 442.482 2.291 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CCc2nc(O)c3ccccc3n2)c(=O)c1C#N 1654530587 APGIJYXTONXPDI-UHFFFAOYSA-N 442.273 2.451 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H]3CCCN3C[C@@H]2CO)n(Cc2ccc(F)cc2)c1C 1655522435 VFEYONONEQCQKC-LEWJYISDSA-N 439.535 2.243 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 1658961858 CCJIPTSJVPUFEF-LJAQVGFWSA-N 429.445 2.468 30 10 IEEE COC(=O)[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)Oc1ccccc1 1663929436 DFDJILAAQLIGIH-OAHLLOKOSA-N 439.287 2.220 30 10 IEEE CCOCCCNC(=O)C1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1684365773 HBWXEPUKAQGABM-UHFFFAOYSA-N 441.576 2.491 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1685125879 XQYXEWVCRFTHQB-UHFFFAOYSA-N 444.557 2.308 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Br)cc1 1686919248 BXWIAGDICSGHGG-GOSISDBHSA-N 433.350 2.073 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1689848648 YZHMZGBFWVRGCS-KRWDZBQOSA-N 449.559 2.295 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)nc2ccccc12 1689998656 SIRNXVGCBVTHNR-UHFFFAOYSA-N 428.496 2.192 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC(F)F 1690036840 DBCGSTNDMKBMIP-UHFFFAOYSA-N 436.484 2.441 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1690059818 YLWYCJIWNHVMHB-GOSISDBHSA-N 433.578 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1690152360 IRBGADHKOZPWGQ-CTNGQTDRSA-N 431.581 2.232 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690180295 BWIXHJDKTITGAQ-LJQANCHMSA-N 448.614 2.279 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1690313429 UDPUOIRPJYCLBV-XLIONFOSSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690668644 CVYXGDQAAPXBNI-UHFFFAOYSA-N 441.536 2.008 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1690678325 SGONZCFIUAHJKU-WOJBJXKFSA-N 425.533 2.475 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CCC3)C[C@H](C)C2)n1Cc1ccc(C#N)o1 1693753936 QOYGXVAICSDMCX-INIZCTEOSA-N 425.537 2.240 30 10 IEEE CCc1nnc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)s1 1694617383 CCMGERBDVUXJHE-GOSISDBHSA-N 446.537 2.174 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CC1 1695939036 DNVZSJPUZVYKGP-KRWDZBQOSA-N 425.562 2.421 30 10 IEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)nc2)CC1=O 1696882796 YRHVBCLIZJIRAJ-UHFFFAOYSA-N 437.891 2.104 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CC1 1697708161 VTUVUTIHPRBEER-UHFFFAOYSA-N 436.541 2.416 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)CC1 1698313279 GEWCFSDSAIGGFZ-IBGZPJMESA-N 442.545 2.027 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Br)cn2)C1 1698483479 DARINPIFFHHRNJ-DYVFJYSZSA-N 438.305 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C1CC1 1705479651 NMLOOQCJCMLMMO-HZPDHXFCSA-N 443.621 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1705491589 FMKSCYFUPUYHJP-YSIASYRMSA-N 429.590 2.249 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)nc1 1705596622 JOMVEMKJJCDFIM-NRFANRHFSA-N 434.544 2.263 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cscc2C)CC1 1705635045 PKJZAGVMFDIJJS-JOCHJYFZSA-N 429.590 2.492 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](C)C2)CC1 1705642160 IYNPZTGPMWQQKB-ZWKOTPCHSA-N 426.590 2.461 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1705656342 ZAODUIREGYNYIP-UHFFFAOYSA-N 443.573 2.387 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705657327 AQMQZJBRETXVBQ-LJQANCHMSA-N 441.601 2.479 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1705905521 YEVZHPCQOVPMOL-HNNXBMFYSA-N 445.392 2.217 30 10 IEEE C[C@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1706959148 PIOBYDMZBFZXHY-UZLBHIALSA-N 435.431 2.081 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1707347990 JLXVLHXVPYRRLS-XOMICKMZSA-N 440.504 2.236 30 10 IEEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCC1 1710785064 HJVOOUYNQANDNO-MRXNPFEDSA-N 438.598 2.225 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)c1 1712878518 GIYKXHWGRNOXGN-KRWDZBQOSA-N 433.497 2.037 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722301913 DOIKVHGPVXNJDE-DLBZAZTESA-N 432.546 2.148 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCNC(=O)c2cc[nH]n2)c1 1722305883 WBQQEOPJAOKREK-INIZCTEOSA-N 448.531 2.001 30 10 IEEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722320161 YUCLSWSMMFVDKG-SIKLNZKXSA-N 426.609 2.413 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](F)COC 1722381793 UCLLMXNXUGTZBO-QZTJIDSGSA-N 433.528 2.450 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@H]1C 1722428200 XIZLQBANCJRILK-WMZHIEFXSA-N 428.533 2.100 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722454072 IMGCUHQMUROOOH-QFIPXVFZSA-N 443.573 2.291 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(CC)s1 1722537652 QDJBJBDEZXLJRP-OAHLLOKOSA-N 439.607 2.428 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722542485 BQNKNIHEZCBWBI-RBUKOAKNSA-N 441.020 2.359 30 10 IEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1722609417 BJMHILSTSIJWPB-UHFFFAOYSA-N 443.371 2.084 30 10 IEEE C=CCN(C)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1722639905 VEMFWVYUCCQEKA-UHFFFAOYSA-N 426.565 2.156 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722700597 NGWKJPLGYBDFHY-MRXNPFEDSA-N 438.454 2.114 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1724236017 SEXJXDXYMSLGGK-UTKZUKDTSA-N 446.552 2.045 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCCOCC(F)F 1726641287 CNZIHSVDDAFMIL-HNNXBMFYSA-N 446.506 2.279 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1728574636 DRHMYQAJCFZFRX-IBGZPJMESA-N 442.589 2.314 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1728651520 MLEUZQDTMVOIMQ-UHFFFAOYSA-N 438.580 2.232 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](OC)C(C)(C)C 1729070840 PWWRAEXKTHVZJH-GOSISDBHSA-N 427.553 2.469 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740571317 PXHXCQNOOVZTBU-UHFFFAOYSA-N 437.470 2.377 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1740656283 JWAPBPHYPJXAEF-XMMPIXPASA-N 446.599 2.063 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1740774313 QJSDQCATQLOETG-IBGZPJMESA-N 449.577 2.070 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)OC)c2)CC1 1740818422 JRXBQWRKDJFAPP-OAHLLOKOSA-N 448.549 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)CC1 1740993151 UEGDZEARTBGZFX-UHFFFAOYSA-N 449.596 2.387 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1C 1742249364 BPHMOHAVHVTCDX-XMSQKQJNSA-N 442.495 2.395 30 10 IEEE CCc1nnc(N(C)Cc2ccc(Br)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1744544816 GGUOMPHUSRTNIS-WUKNDPDISA-N 449.309 2.359 30 10 IEEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1745704107 GPSNKLDTXCUKQM-UHFFFAOYSA-N 439.564 2.128 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1748817509 LOETVRRPCXKBHJ-MRXNPFEDSA-N 431.562 2.018 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)C1CCCCC1 1748906371 DIGOHWFNPPNHSE-UGKGYDQZSA-N 441.576 2.256 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749028857 HXRPBJOWQXEBQY-QUCCMNQESA-N 441.601 2.477 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749655975 WAEGSZOAADMAFA-SFHVURJKSA-N 440.504 2.287 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1749672533 XBFCJOYNEAFQNT-IAGOWNOFSA-N 432.569 2.272 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)C1 1750194787 MMOFHUHMRAFLBG-LJQANCHMSA-N 431.562 2.383 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)(F)F)C1 1750378351 HYCRJXQFMJOUAS-KRWDZBQOSA-N 428.365 2.128 30 10 IEEE CC(C)OCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1751055623 WTIHYYSDUHRAIB-IBGZPJMESA-N 425.537 2.190 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1OCC(F)F 1760177883 QKGGIJDCEVPAKX-UHFFFAOYSA-N 446.483 2.426 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCN1CCOCC1 1760178482 OZKCYHIOJMGRPG-UHFFFAOYSA-N 448.365 2.411 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760191422 HCQIEOYJJZVVPX-IBGZPJMESA-N 446.573 2.217 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1760260726 DDUBCDRPGMLIEO-WJOKGBTCSA-N 443.617 2.468 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1760287427 RSPMNVMQGVUZCS-GOSISDBHSA-N 429.521 2.488 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1760290075 VRNWOAPTQAKZPY-HTAPYJJXSA-N 433.553 2.473 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1760294767 GARXAERTGVHOOV-XMSQKQJNSA-N 443.573 2.404 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)N2CCOCC2)C1 1760536506 HXQXMDRSJPAZRT-SFTDATJTSA-N 439.560 2.460 30 10 IEEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1)C(F)(F)F 1761452970 GBQQVOVKJUHIHM-HNNXBMFYSA-N 445.453 2.181 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1764754742 FRVGYGMYAAGVFT-OXQOHEQNSA-N 442.589 2.313 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCCC1 1770832515 CSIVHJNIRPQMTE-VXPUYCOJSA-N 428.443 2.274 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cc(C)ccc1OC 1771304607 DQBCXACZGDNEOV-ZVDOUQERSA-N 441.532 2.291 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 1852819558 GCVKDOLGFYXVLV-NRFANRHFSA-N 430.574 2.302 30 10 IEEE N#CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1853335000 OAAUSKGECVBVFM-MRXNPFEDSA-N 432.468 2.038 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(=O)[C@H]3CCCO3)c3ccccc32)cc1 1854284145 VUHXEBTUJULGLQ-LJQANCHMSA-N 425.466 2.196 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccccc2Cl)C1 1858325557 KMYRLDSIJQZGPJ-INIZCTEOSA-N 439.946 2.094 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)c3ccc(Cl)cc3n2)CC1 1858572298 UKXIHRYOZFFWOF-UHFFFAOYSA-N 429.889 2.371 30 10 IEEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCO)cc1 1862608334 LSVJVYPNLBVPAA-IBGZPJMESA-N 439.420 2.117 30 10 IEEE C=CCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545847 QAGNCWCSOPWDFK-UHFFFAOYSA-N 433.464 2.487 30 10 IEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 1870107699 UUUDGKJSQTWEHH-UHFFFAOYSA-N 444.451 2.222 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)cc1 1874277170 LPDKPISCRQQJRQ-MNUWJXFPSA-N 431.518 2.245 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 1902434588 APIKMPZUDOTPEC-WDSOQIARSA-N 437.558 2.427 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060640590 WRMRGTRGJPWRLL-JKQORVJESA-N 436.358 2.467 30 10 IEEE CN(CC1(S(C)(=O)=O)CC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172782493 RZFYNSIKFUJWBT-UHFFFAOYSA-N 445.188 2.157 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2cc(C#N)ccc2Cl)s[nH]1 2187515095 CSUDRHJAUXDTLI-UHFFFAOYSA-N 429.911 2.311 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247919311 QFGRCCNISMVXQL-UHFFFAOYSA-N 440.371 2.318 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247919380 QOZMASWFGNKZPM-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626988 MNDDQBHUBNCPBL-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 2255640846 MHAKENHFSAXZDJ-KRWDZBQOSA-N 426.370 2.453 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255701534 SNTKYFNBDFKFCQ-KRWDZBQOSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255847871 SVAVKERIWBOVKZ-UHFFFAOYSA-N 432.286 2.001 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256922673 IHPQVDWTUWMQQH-HNNXBMFYSA-N 446.334 2.232 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCCC(=O)O)Cc2ccccc2)n1 2256923230 HDJRCCDXZQPBFE-UHFFFAOYSA-N 427.310 2.227 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2257486221 FUNXTROXBHOCHE-ZBFHGGJFSA-N 431.342 2.332 30 10 IEEE COc1ccc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267101937 MRHHEBOPBRELEK-AWEZNQCLSA-N 448.325 2.275 30 10 IEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1NC(=O)OC(C)(C)C 2267138411 VBXWBNRARVISRN-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267511459 CVFVGFIOJCQULZ-CQSZACIVSA-N 448.373 2.047 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267598852 GSWKROZLBYTOFH-USXIJHARSA-N 445.369 2.452 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NCC3CC4(C3)OCCO4)cc2Cl)OC1(C)C 2267702373 FTOVXYFKMNWLGN-UHFFFAOYSA-N 449.787 2.132 30 10 IEEE C[C@@H]1COC[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N1C(=O)OC(C)(C)C 2268646135 IDHRCJUOZZLPED-ZBFHGGJFSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268789848 PGVQVDXZWDGNJZ-SFHVURJKSA-N 446.353 2.151 30 10 IEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271396304 WDBHDRIDFRPYMG-GDBMZVCRSA-N 446.357 2.294 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1C[C@@H]2CC[C@H](C1)C2=NO 2285896439 NHGQRRGTIUDBAC-YIONKMFJSA-N 433.530 2.247 30 10 IEEE COC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(O)c(O)c1 2329282811 AZNOJODSIBGCTO-UHFFFAOYSA-N 428.470 2.436 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)[nH]1 2337027343 DJWZVSQBOVJRSL-JQHSSLGASA-N 447.385 2.187 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2342889304 QQFOQXIEOJFTHV-IRXDYDNUSA-N 447.385 2.362 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H]2COC[C@H]12 2345742208 XPBGJURKENRMLO-XYPHTWIQSA-N 449.332 2.248 30 10 IEEE CC(C)(C#CC1(OCC(=O)O)CCN(C(=O)OCc2ccccc2)CC1)S(C)(=O)=O 2365254604 PLJNMWDNUOSEFM-UHFFFAOYSA-N 437.514 2.086 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCCC3)cc2C1=O 24474275 ADVBUYCTOPQLAB-ZDUSSCGKSA-N 427.457 2.172 30 10 IEEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2c(Cl)ccc(Cl)c21 44359929 UJGIOBJSGNMITR-NWLJZCLZSA-N 432.354 2.494 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 96710858 PTSDFFSRNTTZNK-JTQLQIEISA-N 429.134 2.261 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c1C 103110299 YQOVAADMBMHUGR-QGBVPWCLSA-N 440.500 2.187 30 10 IEEE COc1ccc(/C=C2/Oc3cc(OCC(=O)N[C@H](C)CO)ccc3C2=O)c(OC)c1OC 208876434 KYFJTUQDUHYAFF-VDLQQMNMSA-N 443.452 2.204 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1 301322841 UVBLPQVAKVKTKX-UHFFFAOYSA-N 446.536 2.410 30 10 IEEE C[C@H](C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)n1cnc(C#N)n1 409453394 OCKLYCFAGXKEDB-LJQANCHMSA-N 429.528 2.349 30 10 IEEE N#CC1CCC(CNC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CC1 440977974 CMLAQTVSWPPTRM-QLOJAFMTSA-N 428.533 2.490 30 10 IEEE COC(=O)c1cc(C(C)(C)NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 460662607 OMVAOUGZZYAAGT-HNNXBMFYSA-N 425.445 2.063 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@H]1CCOc2ccccc21 461358737 ACHXYRFXHPZCRY-FQEVSTJZSA-N 443.528 2.087 30 10 IEEE N#Cc1cccc(COc2ccc(NC(=O)N3CC(n4cc(C(N)=O)nn4)C3)cc2F)c1 467376044 IATCHUGGKUXXNT-UHFFFAOYSA-N 435.419 2.056 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC(c3n[nH]c(CC)n3)CC2)c(C#N)cn1CCOC 484338800 FIBRADGMJZTHGS-UHFFFAOYSA-N 443.508 2.275 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 488017168 XFRLMKSERQTBIG-LJQANCHMSA-N 431.489 2.168 30 10 IEEE CC(C)(C)C[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 488413050 USYDLWQNYOQQPY-IBGZPJMESA-N 432.590 2.292 30 10 IEEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)N4CCCC4)n(C4CC4)c3=O)cc2s1 491592368 UUFBIWXNAORPBR-UHFFFAOYSA-N 436.562 2.288 30 10 IEEE C[C@H]1C(=O)Nc2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)ccc2N1C 495109929 HSUFUOOUWRDTIV-DJJJIMSYSA-N 435.509 2.489 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)CC2)o1 503143667 FNQBKIUDANPFBT-IBGZPJMESA-N 446.515 2.126 30 10 IEEE Cc1nc(C2(NCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CCCCCC2)no1 507669788 BTHCZQOOCCKSNR-UHFFFAOYSA-N 427.509 2.034 30 10 IEEE COCCn1c(N)c(N(Cc2ccccc2)Cc2ccc(OC)c(C#N)c2)c(O)nc1=O 532744757 AFQIWMYLSFBLGA-UHFFFAOYSA-N 435.484 2.265 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 533215837 VOYSUFFFXVCAPO-XMMPIXPASA-N 440.975 2.465 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 544835249 FQVRNGCNMYAIBJ-FQEVSTJZSA-N 433.512 2.305 30 10 IEEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546906045 YNPYHPZTMWPRLR-UHFFFAOYSA-N 441.557 2.134 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](CNC(=O)CC(F)(F)F)C3)cc2C1=O 552287899 UOQSULWFQNBNDT-ZDUSSCGKSA-N 437.418 2.389 30 10 IEEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCN(S(=O)(=O)C2CC2)CC1 558889279 RBFPRHAJFIIOIO-UHFFFAOYSA-N 429.464 2.266 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(CCc4ccco4)n3C[C@@H]3CCOC3)CC2)nc1 578528212 PGFCKHNNNMPWIJ-IBGZPJMESA-N 433.516 2.286 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccccc3C)cc21 586358223 PRKUOLYMEJKEBD-SSEXGKCCSA-N 426.494 2.477 30 10 IEEE COc1cc(C(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] 586393401 AKBLNCVDVCCWHA-UHFFFAOYSA-N 438.440 2.090 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(F)c1 586838598 MFMDTMMAPYZSGG-HXUWFJFHSA-N 444.894 2.157 30 10 IEEE N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 619668879 SHBGMBMDIKARSN-UHFFFAOYSA-N 428.848 2.268 30 10 IEEE NCC#Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1Cl 703979000 ISGVVJOJCCGNLW-UHFFFAOYSA-N 431.901 2.078 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729669867 CYXLEAULHJZEJR-UHFFFAOYSA-N 430.464 2.269 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)CCN1C1CC1 735194092 FTYGMKLLXLIXCV-GEFUHLBYSA-N 442.585 2.405 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 743674782 IUJQSGSKRINJDO-SFHVURJKSA-N 433.505 2.493 30 10 IEEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cn2)c1 749000973 CHSKBUVIIWADCI-UHFFFAOYSA-N 425.470 2.110 30 10 IEEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 750413249 CHJHXASNWSBITA-IBGZPJMESA-N 443.500 2.125 30 10 IEEE C=C(COC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OCC 751949844 GKGQSPBUENGSSC-UHFFFAOYSA-N 426.672 2.026 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCN(c2ccccc2F)C1=O 758778228 RPUPMMIDSAGMKH-LESCRADOSA-N 445.495 2.331 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)C1 760296827 QFMHYARBFBTBIK-PBHICJAKSA-N 447.536 2.230 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 767771401 FHUIZKVSSNHOGC-GOSISDBHSA-N 440.522 2.399 30 10 IEEE NC(=NOCC(=O)NCCc1cccc2cccnc12)c1ccc(CN2CCOCC2)cc1 768517267 LTSPSDKDEKQTNF-UHFFFAOYSA-N 447.539 2.063 30 10 IEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cncc4ccccc34)c2=O)c1 772908414 DODGLABLWUWHAR-UHFFFAOYSA-N 437.484 2.432 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)cc1 777295879 VOEZCSLEZYVFGJ-NRFANRHFSA-N 445.472 2.255 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1nc2ccc(Br)cc2[nH]1 780525503 BTXPTRXHYDLLCJ-UHFFFAOYSA-N 449.286 2.107 30 10 IEEE COC(=O)c1ccc(NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)cc1Cl 782239698 AVBMOJZDKWGPLP-UHFFFAOYSA-N 441.875 2.417 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cc1F 784126491 DBKPAKSCXBAOSX-QGZVFWFLSA-N 430.509 2.416 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)ccc1Cl 796151623 QFBWJNRVSWKHRM-LSDHHAIUSA-N 427.910 2.270 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796426228 WQFPRXLRUOXVGA-JQVVKUFUSA-N 431.537 2.094 30 10 IEEE Cc1c(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)sc2ccc(C#N)cc12 796623761 DUXBCFYWHSQWSY-UHFFFAOYSA-N 437.481 2.076 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H]2CCCO2)CCN1C1CC1 802679899 QVAAKAYSMZAJIA-RTBURBONSA-N 436.516 2.072 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 809910318 QJPXSXAWDYMBNZ-QGZVFWFLSA-N 448.568 2.254 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 809921937 QIYNAAOKABYLLN-SQNIBIBYSA-N 432.569 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1C#N)CCO2 814397741 MVWOMKQEBZDVBT-UHFFFAOYSA-N 427.910 2.222 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCc1ccccc1CN1CCOCC1 914594967 PEHWYVKHJQUGMH-SFHVURJKSA-N 437.496 2.017 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=S)Nc1ccccc1C#N 915997958 UFKIUKLVBAGECQ-UHFFFAOYSA-N 445.570 2.312 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 916921909 SJGDNWFWQJFDNI-ICSRJNTNSA-N 449.507 2.433 30 10 IEEE N#Cc1ccccc1/C=C\C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 916960258 GXSNIQLDAKGONY-YVMONPNESA-N 443.437 2.106 30 10 IEEE C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)N(C)CC(=O)NC1CC1 919514901 XQKGMYQKQPIANM-AWEZNQCLSA-N 425.441 2.013 30 10 IEEE Cc1nn(C)cc1C=NNc1nc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 1084008914 FCNZYELIYLRKJT-UHFFFAOYSA-N 429.466 2.322 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(c3ccccn3)=NO2)cc1 1125202094 CKDSWGZGHHNLDH-LTXLMFNASA-N 427.486 2.026 30 10 IEEE Cn1cc([C@@]2(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCCO2)cn1 1134792477 MEABOBIWKIVJCG-BTYIYWSLSA-N 427.892 2.120 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1135983643 YEQXMUMHVRXSOD-PWHSHALESA-N 428.533 2.156 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 1144763192 PARCYUAPFXXENX-FQEVSTJZSA-N 447.377 2.269 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCc3cncc(C#N)c3)ccc2Cl)C[C@@H](C)O1 1156107707 AZNHOPAIPANIRY-OKILXGFUSA-N 448.932 2.335 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)c1 1157071512 KMJYVJQHTNHHFD-KGLIPLIRSA-N 448.570 2.291 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCc4c(CC(N)=O)cccc4C3)ccc2c1=O 1171238096 ZODGYZTXDDEUGM-UHFFFAOYSA-N 434.521 2.098 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]2C[C@@H]21 1248376451 YOIUAAANBFADRJ-QYZOEREBSA-N 439.516 2.062 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1253779660 QWZKERADQIYBAJ-OAHLLOKOSA-N 443.573 2.141 30 10 IEEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286325654 XVKNAGHYORYELJ-UHFFFAOYSA-N 426.565 2.010 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1286325710 YYRXMZBGNPNOIS-GOSISDBHSA-N 441.605 2.374 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1SC 1286396124 CXCWEBMZHNRBPJ-MRXNPFEDSA-N 431.587 2.040 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCC(OC)CC1 1286451838 DAIHMGXAGVIZLV-ICSRJNTNSA-N 433.597 2.351 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2CCOCC2)n1 1286471363 LNZCITPGOUXXNS-UHFFFAOYSA-N 435.532 2.249 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(CC)C(C)C)CC1 1286485360 ZTSZMMNOYDUZFX-UHFFFAOYSA-N 435.576 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC=C(C)C)CC1 1286488924 YJFBNVCRDXOPEZ-HSZRJFAPSA-N 429.565 2.252 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)C1 1286561193 AIEXCFNEYZTXRN-AVRDEDQJSA-N 425.533 2.425 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1286725741 YWPISIQXDCADCX-GOSISDBHSA-N 445.593 2.042 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1286758354 LAYATFLMSYPNCX-INIZCTEOSA-N 437.591 2.208 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1286788098 PYICSCXHSNSNBW-YLJYHZDGSA-N 441.532 2.488 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1286824988 KUJZCQOJPQKGBH-ABSDTBQOSA-N 426.583 2.156 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)CCCCn3cnc4c(N)ncnc43)CC2)cc1 1290399977 GZPREBGDMLQXGU-UHFFFAOYSA-N 432.532 2.185 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c1 1293586254 GDHYUQBAQNWDHQ-AWEZNQCLSA-N 427.461 2.185 30 10 IEEE C[C@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1N1CCN(C)CC1 1295071619 GJRUUSXXUYHVOC-PZJWPPBQSA-N 432.609 2.121 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CS(=O)(=O)c4ccccc43)C2)C1 1295338111 HNLOGEZBNWRJGL-GDRCOGEISA-N 445.541 2.418 30 10 IEEE COC(=O)c1cc2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2s1 1298572429 DGVNEKZJRIGCCU-UHFFFAOYSA-N 429.479 2.477 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1299683120 DEJCTBHOAQWIKD-KDOFPFPSSA-N 426.521 2.378 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1300495944 LIWFHGNPVWUEJY-WOJBJXKFSA-N 442.585 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1300557709 VQESNULGNZWZNR-OAHLLOKOSA-N 449.964 2.062 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCC(F)F 1300618691 MMBAEAVLPMXKRY-UHFFFAOYSA-N 430.459 2.416 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1300684546 YPCCPTLSFDPFTG-HRAATJIYSA-N 445.545 2.113 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1301496519 BTKOJBKDNHHMLQ-LSDHHAIUSA-N 446.577 2.418 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301545882 MVVKRKVNNGDLAV-GOEBONIOSA-N 437.953 2.210 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1301557226 NQFZBRVVYDSNAP-QUCCMNQESA-N 443.523 2.061 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCc2cc(C(F)(F)F)ccn2)cc1 1302988938 DYTACTFAGPRAPZ-UHFFFAOYSA-N 441.417 2.409 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1303469731 JSXHTWIBFASXBQ-UHFFFAOYSA-N 434.541 2.329 30 10 IEEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)cs1 1306037890 OPPZUGZKPNUVGK-AWEZNQCLSA-N 434.591 2.377 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1314118578 DQKMXGQALJUXHD-PKTZIBPZSA-N 444.580 2.367 30 10 IEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C 1314874568 ZJNROSAVFXMFLA-UHFFFAOYSA-N 442.564 2.312 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1(C)C 1315732542 CAIKKZMNHLONSS-VQTJNVASSA-N 441.532 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1358871915 LXVXOBJOXXTUNR-HOTGVXAUSA-N 428.562 2.460 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCSC2)c1 1358901658 RVRBFDQYRSMHJQ-QFIPXVFZSA-N 436.541 2.197 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1358934079 OWONSJULTHXIQC-IBGZPJMESA-N 433.516 2.182 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1358949691 KJFQFXSSXOGZCG-MRXNPFEDSA-N 449.943 2.206 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCN(CC)CC1 1358951264 PIBVXKVXVADLBV-UHFFFAOYSA-N 434.592 2.004 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1358961115 RXOGJUQDUBJIBZ-XBMUEBEBSA-N 445.589 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(OC)nc1OC 1358974166 SYOZHILTXWBUKW-UHFFFAOYSA-N 447.495 2.496 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccsc1 1359023744 USCWXQPIEPLJSF-UHFFFAOYSA-N 434.525 2.388 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(C)nn(C)c1C 1359026455 YRFCJWWWLOQCMX-UHFFFAOYSA-N 432.532 2.001 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](COC)OC)C1 1359321200 BVRRVKZBHORQSH-FUHIMQAGSA-N 430.505 2.233 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1359465578 GKDXTUVQQJPZRH-DFYVNMARSA-N 428.562 2.037 30 10 IEEE C[C@@H]1c2c(sc(NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c2C#N)CC[C@H]1C 1436545309 CJJWBKAJTVERBB-MNOVXSKESA-N 425.514 2.447 30 10 IEEE CCCN(CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC(C)(C)C 1447045891 AJAOFCGMURTDPC-UHFFFAOYSA-N 438.550 2.255 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)s1 1451734973 AIGFAHFKNHBALX-INIZCTEOSA-N 439.946 2.123 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)s1 1452848408 VDKAVKITEBLCTB-SFHVURJKSA-N 433.599 2.140 30 10 IEEE COC(=O)c1ccc(F)c2c1CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 1453472003 NYTLJPBSZYBXPR-UHFFFAOYSA-N 445.472 2.003 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1F 1454683966 QKJDOABDCKWXDO-UHFFFAOYSA-N 444.484 2.496 30 10 IEEE N#CC1(NC(=O)CN2CCn3c(Cc4cccc(Br)c4)nnc3C2)CCC1 1460020484 ZTWFQXQBJBYQAP-UHFFFAOYSA-N 429.322 2.009 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1464841043 NQWIZUOWEMBROE-MHJFOBGBSA-N 448.608 2.132 30 10 IEEE C#CC1CCN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 1475908750 FOEDEXXLWYSNSM-UHFFFAOYSA-N 432.528 2.245 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)cn1C 1478718106 AEJCBTAAPPERCK-LJQANCHMSA-N 444.561 2.180 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505107993 JVLWAOXNZGDMAG-RJCBAWPRSA-N 442.907 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC=CO1 1507521661 PBTINOUBJJEPSZ-AEFFLSMTSA-N 429.546 2.346 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507536184 BQSWJOFWBVVEAE-SFHVURJKSA-N 432.528 2.237 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1507550018 DKHNVOWJJWQARC-PDOGEWKWSA-N 437.544 2.389 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1507569772 JOEOADVNNTVGKP-UHFFFAOYSA-N 431.544 2.402 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507574832 ABWURZHVLONGKA-HNNXBMFYSA-N 446.353 2.489 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1507631712 SCAXFTRTBRWHIX-KRWDZBQOSA-N 442.932 2.064 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1507713662 SCRFXRKHRMTULL-XXBNENTESA-N 428.533 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccsc2)CC1 1507735456 AHZWRAULZCGTKQ-JOCHJYFZSA-N 443.573 2.006 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507791799 SIEXPEYMILSBNK-QXSJWSMHSA-N 445.358 2.151 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1507835535 DQPBMWOURDZJGX-UHFFFAOYSA-N 440.548 2.103 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1507843628 PFQSNONAPFPBCP-UXHICEINSA-N 447.580 2.376 30 10 IEEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507916829 HALINWONDGQTCR-UHFFFAOYSA-N 430.597 2.396 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1507935468 QEYPATKVMCLNCQ-PXNSSMCTSA-N 436.582 2.097 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCSC1 1508514144 CLGGRSCLKKJOGR-OAQYLSRUSA-N 427.578 2.037 30 10 IEEE Cc1cccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1510623713 QQDUAGMJRKDSLN-OAHLLOKOSA-N 428.518 2.346 30 10 IEEE CCOCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1516698885 RVHJGFKXYSQSEI-HKUYNNGSSA-N 440.552 2.323 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1516952147 BFMCQCUBYNAEAA-IBGZPJMESA-N 432.532 2.413 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC[C@H](C(F)(F)F)O3)C2=O)cc1 1534326311 SMGHXZQLMIHUAF-BZUAXINKSA-N 438.406 2.379 30 10 IEEE Cc1nc(Cn2nnc(C(=O)Nc3ccc(C#N)cc3I)c2C)no1 1535357242 IDPJNOPDTDLLCQ-UHFFFAOYSA-N 449.212 2.055 30 10 IEEE C=C(C)C[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OCC 1536579349 XOAFUZZEKDIYCV-HNNXBMFYSA-N 432.336 2.378 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1C(C)C 1539245554 IAWUPFNWAYWLNN-VQTJNVASSA-N 425.558 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1N1CCOCC1 1539292088 ZWQOVBMOQWHWHP-UHFFFAOYSA-N 448.571 2.073 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(F)(F)c2ccccc2)CC1 1539429517 ABQXUFKXQGJBSA-QFIPXVFZSA-N 445.514 2.477 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCOCC2)CC1 1539830121 NTMQGCNQRUZFIF-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539918002 IWJBMHWFJZPDJE-SFHVURJKSA-N 434.548 2.425 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCO[C@@H](C)C2)CCOC1 1541104676 ASHPNQMWFFRHPP-QTEQDKRBSA-N 448.612 2.415 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCOC[C@@H]2C)CCOC1 1541727991 BUTSIGKNWWQAQH-WWPVKYPJSA-N 446.596 2.169 30 10 IEEE N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 1542889203 RLWYBDGGGQMMQL-LJQANCHMSA-N 433.917 2.480 30 10 IEEE Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)CCO2)o1 1543097420 AXPIBNVSXJRSAP-IBGZPJMESA-N 436.520 2.426 30 10 IEEE CC(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1544094392 SMXZTMSXMNILBJ-BRWVUGGUSA-N 427.567 2.055 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)C(C)C 1545461636 YQNDFGWLFHOISA-OAHLLOKOSA-N 425.537 2.489 30 10 IEEE CCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1548264660 YCGWKMUTNHUVHW-MRXNPFEDSA-N 448.369 2.259 30 10 IEEE COc1ccccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(N)=O 1548368152 YQVTWGYITVFMND-QGZVFWFLSA-N 432.402 2.402 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCC1 1554150939 BXIMRXOCMQWPRQ-UHFFFAOYSA-N 449.559 2.311 30 10 IEEE N#CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1555989593 BQLVYGYGAGCQIE-LJQANCHMSA-N 447.518 2.487 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](CC#N)C3)CC2)cc1OC 1557461841 IASLMSWQXHBXSQ-INIZCTEOSA-N 435.546 2.257 30 10 IEEE COc1ccc(NC(=O)CN(C)[C@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N1CCCCC1 1560060394 MADFXHQMXIZBHP-WMZOPIPTSA-N 434.562 2.432 30 10 IEEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)c2[nH]cnc2Br)CC1 1561488180 AKVNGKJHHLNHHD-UHFFFAOYSA-N 426.296 2.107 30 10 IEEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1561868165 LGYNKEQGIPONHX-LLVKDONJSA-N 425.334 2.066 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1585233756 YTVIQKXOFJKDFR-HNNXBMFYSA-N 428.514 2.035 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588045080 GRIGANMREMGUSA-SFHVURJKSA-N 427.505 2.098 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)[C@@H](C)CC 1588124136 CYLGOWZHWVPQNO-BXKMTCNYSA-N 432.528 2.062 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1=CCCOC1 1588228335 DJDVUQIXZGUCKS-UHFFFAOYSA-N 431.544 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1588228827 MNNSDLWACOQBMS-XUVXKRRUSA-N 432.590 2.094 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1589059988 MBGOXKHOSDDGRC-IBGZPJMESA-N 430.622 2.045 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1589208205 XLWQZGXZZYIBKV-MZLICYQSSA-N 442.608 2.358 30 10 IEEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1612441339 FDRAOOGJICCTHR-MRXNPFEDSA-N 448.597 2.004 30 10 IEEE CC[C@H](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613139863 QXXUXKVWHISNMD-QMTMVMCOSA-N 426.521 2.378 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1 1613787983 FBVOOSPLVDEMEU-KNQAVFIVSA-N 437.592 2.262 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1614983422 FHQRBGYAYUYRRS-SFHVURJKSA-N 438.532 2.228 30 10 IEEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1618579557 GETPALBOSAQMRA-FZYZMVIOSA-N 448.589 2.186 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)CC1 1623669081 JBTBZSMBNDGPQA-HNNXBMFYSA-N 440.301 2.490 30 10 IEEE C#CCOc1ccccc1NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1623835413 QUPHQDKRLTXIMD-OAHLLOKOSA-N 428.489 2.040 30 10 IEEE CCN1CCN(CC(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1626697795 FVEPKDIYLKSKCX-IQJRZOLZSA-N 447.624 2.306 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](C3CC3)C3(CO)CCOCC3)C2)C1 1631437109 SMKUWVARIIDULA-PYQXHLOTSA-N 447.576 2.457 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)C1 1633662442 MDSHXDKRXPEFCG-OKZBNKHCSA-N 427.505 2.018 30 10 IEEE COc1ncc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1C#N 1634293616 FWBIEOJCPKTHIS-UHFFFAOYSA-N 439.291 2.031 30 10 IEEE Cc1oc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1S(=O)(=O)N1CCCC1 1635415985 XCEQIIPMQXEVNR-QGZVFWFLSA-N 443.529 2.356 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1636699228 FXXMHUCDTTWRCO-HXUWFJFHSA-N 430.526 2.425 30 10 IEEE Cn1cccc1C(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1646282374 HYSTXLWSDXGMLE-UHFFFAOYSA-N 431.290 2.023 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](OC)[C@H](C)CC)nnc12 1648795860 MXXXRUCSFFYGQW-RHSMWYFYSA-N 429.546 2.500 30 10 IEEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C 1648936661 IJYYCJBAIBKTIF-UIVXKWKOSA-N 449.573 2.330 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N(O)Cc2ccccc2Cl)C1 1651226236 PYTXIXWWRVVVMT-AUUYWEPGSA-N 444.937 2.340 30 10 IEEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN(CC)[C@H](C)C#N)C2=O)cc1 1655165105 ROQPNQXTXNGQDU-PWDRBQJJSA-N 430.530 2.472 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCO[C@@H](c4cccc(C#N)c4)C3)OC2=O)C1 1658096748 QWNRLVDVOMYKQA-RBUKOAKNSA-N 427.501 2.484 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)OCC 1669266127 ALGPPAGZXRZCRO-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3ccccc3CN3CC[C@H](O)C3)C2)nc1 1671568518 ZDQQMCCUGHJQNT-VXKWHMMOSA-N 434.544 2.306 30 10 IEEE CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1674676502 QYRBIIMMAHQNFG-LESCRADOSA-N 440.363 2.350 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)NCC#C[C@@H]3CCCCO3)c3nccn32)C1 1676428409 CMPMVZKUWVWZEN-IRXDYDNUSA-N 429.521 2.146 30 10 IEEE C#C[C@@H]1COCCN1C(=O)NCc1cc(Cl)c(I)cc1OC 1680609476 ZOJDOSRMEHNYRQ-LLVKDONJSA-N 434.661 2.497 30 10 IEEE C#CC[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1686404420 JWRGAZQIVNKVQW-HNNXBMFYSA-N 442.379 2.481 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1689826708 SWZHISSYJBVBDL-VXGBXAGGSA-N 445.467 2.135 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1689888919 UQSQWBMCSLKOGW-WOJBJXKFSA-N 430.597 2.360 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1689912979 FGFOCBHTIGUHKS-IBGZPJMESA-N 444.605 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCn2c(C)nc3ccccc32)CC1 1690154753 YNINRGDUSYVBFC-UHFFFAOYSA-N 449.559 2.139 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1690167401 HVTYJCIGZYGLBS-UHFFFAOYSA-N 425.562 2.091 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cnccn1 1690236996 UOOJWIIRKGEMQB-YLJYHZDGSA-N 448.531 2.376 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690240355 FDYMRLGDMOLIKH-LMMKCTJWSA-N 449.577 2.346 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690331139 RCLYCIWXIUJSQO-INIZCTEOSA-N 426.949 2.092 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690495974 JCXMHOZUVHPPQJ-LQBOVUBWSA-N 430.553 2.454 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C[C@H]1CC 1690670997 NDCHFYHQPHZWPH-IEBWSBKVSA-N 438.580 2.379 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)CC1 1690682579 SMSLGXMVMBAKMW-UHFFFAOYSA-N 435.532 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OCC)C1 1690726461 AYZXZHQVVQJPOX-KRWDZBQOSA-N 439.607 2.240 30 10 IEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1695048778 SXINTCDHKIUUEG-PKTZIBPZSA-N 441.532 2.276 30 10 IEEE COCc1nocc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C#N)C1 1697836702 KEMPULFNNXLUME-LJQANCHMSA-N 438.488 2.385 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1698233317 XXPQGDAVKFCVPX-HBMCJLEFSA-N 441.532 2.316 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)C1 1698483694 IGNWYJMXQFXPFP-OXQOHEQNSA-N 433.509 2.091 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1705501147 WQIJBSIEPKBOQZ-DUPNKOKHSA-N 443.511 2.265 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705529333 FNKKROLBABKCOI-HXUWFJFHSA-N 437.592 2.220 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOCC1(C)C 1705559127 RURUVYAGBHSAGZ-HDICACEKSA-N 446.596 2.229 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1705569751 GSBVLQDAHKKYCA-IBGZPJMESA-N 439.541 2.149 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1705633320 OIAQGJJJENXFBI-RTBURBONSA-N 437.596 2.048 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCSC2)CC1 1705634475 XOIJFGQYVNYXMW-QGZVFWFLSA-N 427.574 2.471 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1705826296 AMDURNCZENINKI-OAHLLOKOSA-N 435.326 2.368 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705940274 ZTIQSYQDFCRYCQ-SJORKVTESA-N 444.561 2.229 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1710620595 BZOPGOZWKNRGFR-LJQANCHMSA-N 426.521 2.259 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711073917 MYQPRIQQGHRQIV-QURGRASLSA-N 431.500 2.265 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1711347757 GAYOLMMVUZTLBG-QGZVFWFLSA-N 449.490 2.274 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cnnn2)C1 1712874956 HASKKZIRENRPAP-QGZVFWFLSA-N 446.288 2.226 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1N(C)CCCC1(C)C 1722282115 LMNLCUGSUVZKHS-YLJYHZDGSA-N 433.564 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CCOC[C@H]2OC)c1 1722307913 YQFGAVKFZWLBNK-TZIWHRDSSA-N 437.544 2.338 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1722354248 BISNJEIKVMGTNU-QGZVFWFLSA-N 442.520 2.108 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722359885 QOLLFFSPHNDMAP-LJQANCHMSA-N 428.558 2.049 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccccc1F 1722401009 IDXFUYFGDUVIHE-UHFFFAOYSA-N 447.518 2.172 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCCCC[C@H]21 1722450903 DKGOSARIGVMETN-GVDBMIGSSA-N 425.624 2.414 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1722474929 QUDSEVJCZISQFV-BXTJHSDWSA-N 449.602 2.385 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCOC)C(=O)C1 1722614014 YJUFNIVLTVTOEZ-UHFFFAOYSA-N 435.532 2.392 30 10 IEEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1723304399 ILYOXRZDHLQKHM-FQEVSTJZSA-N 431.516 2.173 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1723768817 HEHYNDXJWKZYMO-CQSZACIVSA-N 443.939 2.126 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726907062 DJDLVNKJFYRZJF-SFEXGQDGSA-N 442.564 2.449 30 10 IEEE CCn1nc(-c2nnc(N(C)CCOC)n2Cc2ccc(C#N)o2)c2ccccc2c1=O 1728639646 NSFFHWOBYILDII-UHFFFAOYSA-N 433.472 2.270 30 10 IEEE COCCN1C[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@H](C)CC#N)CC1=O 1730778532 QGIZUHNSGADICU-CVEARBPZSA-N 446.502 2.380 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2)c1 1730994057 ALGPOHMSIPNFJO-DLBZAZTESA-N 447.586 2.363 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1731178564 ATAYALRLDFZUEU-FQEVSTJZSA-N 428.493 2.084 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1740548217 GPABHTJGSBBELB-ROUUACIJSA-N 432.569 2.140 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnnn1C 1740554443 ZOFOBWGRNDRVBP-HNNXBMFYSA-N 428.541 2.027 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1740590571 IDDSIOPULOPXLS-ROUUACIJSA-N 435.594 2.183 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccs1)N(C)C 1740644310 ATYGZXUOIUHNCQ-NSHGMRRFSA-N 427.574 2.439 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCN(CC)CC2)CC1 1740836364 OJONXXCEBFUCMB-DEOSSOPVSA-N 446.640 2.360 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740882903 BVDNRLQVRPQKIW-HXUWFJFHSA-N 427.597 2.093 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)CC1 1740884854 OQCUEWILQADZHL-UHFFFAOYSA-N 426.546 2.292 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(N)=O)c1 1740899586 NYSPQJRNXFAAJY-UHFFFAOYSA-N 446.559 2.416 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1740960439 RMNFGEGAKAYXJR-RTWAWAEBSA-N 439.560 2.312 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1740960876 DWWWEJDIGVYMPL-LJQANCHMSA-N 425.464 2.481 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCOC1 1741798687 DESDZFOWQSXQBB-HZPDHXFCSA-N 431.566 2.403 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H](C)O1 1745058551 SHZOVCAMTUZXKO-IMFGXOCKSA-N 427.505 2.148 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1748672718 XECLJLXQCMKVAL-WBVHZDCISA-N 430.509 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748809356 LLNWONXQBNNONV-RTBURBONSA-N 428.558 2.307 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1748819970 VWSHJVXLWSEPIN-GOSISDBHSA-N 448.564 2.450 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCSC1 1748940853 SCEODNNSPQGIOU-QFIPXVFZSA-N 443.548 2.161 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)CC1 1748993251 SFTYGOSFHKFPSZ-UHFFFAOYSA-N 440.979 2.323 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749032294 BMRZDAWUKBBCRU-KRWDZBQOSA-N 435.557 2.164 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O 1749161830 HMNLDGFOBTVCFM-UHFFFAOYSA-N 433.578 2.315 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749219844 UWRXYJHVCWWRCX-LPHOPBHVSA-N 441.532 2.270 30 10 IEEE C=CCC(C)(C)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749377428 VCLLCTILTAQEFS-IEGUWTFLSA-N 431.581 2.495 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1749461741 IPURTCMANJLSDD-HXUWFJFHSA-N 426.565 2.420 30 10 IEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749634666 FUKUEDNLIAWZML-CQSZACIVSA-N 433.438 2.207 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1750498785 DYYFVFSSDAIPGN-ZIAGYGMSSA-N 442.467 2.018 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCO2)C1 1750510461 RMTJDZOOPVHTKI-XWTMOSNGSA-N 444.536 2.123 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1751095676 ZBDPJYKXDZCHKT-IKGGRYGDSA-N 426.512 2.266 30 10 IEEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1751717724 YDYUXYZTEGQBKZ-XDOYNYLZSA-N 429.484 2.500 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760191291 FAOCFQSMHHKQPH-OALUTQOASA-N 434.606 2.453 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760191292 FAOCFQSMHHKQPH-RBUKOAKNSA-N 434.606 2.453 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1760227525 GVHCRPRHRPGMEG-HNNXBMFYSA-N 425.468 2.228 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCCC=C)CC1 1760251746 HGMQLXZNCSKEEB-UHFFFAOYSA-N 436.560 2.495 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1760400596 HOKCXBHCDANFIN-SFHVURJKSA-N 441.532 2.060 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC2CC2)CC1 1760526412 NIRQDQTYVXBORW-UHFFFAOYSA-N 438.576 2.308 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760527886 LLNZVFXAOQHCDH-KRWDZBQOSA-N 442.589 2.238 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CC)C1 1760562089 WWCQLCNERIKMLB-GOSISDBHSA-N 426.550 2.455 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1760866200 HTJUPYSJNMURPX-GHTZIAJQSA-N 431.562 2.095 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)C1 1761545836 JMRNYBPDEOBOON-IERDGZPVSA-N 444.561 2.205 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1768435984 LMFUVJMGTGMDMJ-IBGZPJMESA-N 433.520 2.118 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C(C)(C)C 1770204074 BSMHXLLCSSOKRA-HOIFWPIMSA-N 432.569 2.294 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCc2ccccc21 1771222518 JCDANZJFVDPETI-QWFCFKBJSA-N 440.548 2.182 30 10 IEEE CS(=O)(=O)N1CCC(C(=O)OC[C@H](C#N)Cc2ccc(Br)cc2)CC1 1851096164 RFRWQUVLVKQGKG-AWEZNQCLSA-N 429.336 2.346 30 10 IEEE C[C@@H](C(=O)c1cccs1)N1CCN(CCOC(=O)COc2ccccc2C#N)CC1 1851891114 CLZKMPNOULWJEQ-KRWDZBQOSA-N 427.526 2.431 30 10 IEEE N#Cc1ccc(NC(=O)C[C@H]2CSc3nccc(=O)n32)c(I)c1 1852043351 RJNAIWRPUGQUFC-JTQLQIEISA-N 438.250 2.395 30 10 IEEE Cn1ncc(C#N)c1NC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 1852882951 AVMFIHQWVRAVSO-UHFFFAOYSA-N 427.468 2.281 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](OC(=O)Cc2ccc(C#N)cc2)CO1 1854401986 WDRMKAJCZWCTQF-INIZCTEOSA-N 436.873 2.311 30 10 IEEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2)CC1 1855866835 GGJONFZJFMGKOF-DLBZAZTESA-N 428.920 2.304 30 10 IEEE CC(C)(C)C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1858453545 RUUPKSAUKBTJLI-UHFFFAOYSA-N 427.530 2.449 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)N3CCn4c(C#N)ccc4[C@@H]3C)CC2=O)cc1OC 1866320182 WYWJTIZPSGQYTJ-WMZOPIPTSA-N 436.512 2.371 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OCC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870005122 XWSCPJNJMHWXDX-KRWDZBQOSA-N 445.545 2.467 30 10 IEEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1870149113 GWMFXLVPCALVMW-INIZCTEOSA-N 426.440 2.002 30 10 IEEE CCNC(=O)COc1cn(C[C@@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870290149 QSJPUFMBLBXKLW-CYBMUJFWSA-N 444.557 2.228 30 10 IEEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2C[C@@H](C)O[C@H](C)C2)n1 1871657300 OXMXBEOYWORPOK-QZTJIDSGSA-N 438.580 2.000 30 10 IEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccncc1 1874341917 VZBWGYNGQFDQAP-RSFOSLOZSA-N 430.534 2.325 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)NCCOc3ccccc3)CC2)CC1 1890426592 FZBZCJBOPLECGS-UHFFFAOYSA-N 442.604 2.285 30 10 IEEE CN(c1ncc(Br)cn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 1890825426 OHVHJMMSTNYIFK-OAHLLOKOSA-N 436.335 2.400 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@H](COc3cc(C#N)ccn3)C1)CS2 1891162408 OIPISZMAKFPXTI-ZWKOTPCHSA-N 439.541 2.481 30 10 IEEE COCCN(CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(=O)OC(C)(C)C 2085656244 GMVAXMOOWLYWHL-UHFFFAOYSA-N 435.330 2.203 30 10 IEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH][nH]1 2128731637 WYYOIQCDUDJTOT-UHFFFAOYSA-N 442.325 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141666797 BCCOFBKPWPXUKP-HOTGVXAUSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141670297 MNKOMDRRDXVFRC-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C1 2223249611 YPQRWMBAENQWLC-HNNXBMFYSA-N 442.337 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224097466 MBWKLZXYWKSWQI-UHFFFAOYSA-N 431.342 2.207 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2224128526 VQYCRCKDOUJJCA-RDJZCZTQSA-N 433.358 2.411 30 10 IEEE C[C@H](CCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243389843 MMCILOOYBYGMBB-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243435424 QBVGVDJATJNBNB-CABCVRRESA-N 430.376 2.254 30 10 IEEE C=C(CS(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2243435796 XLCQGHYXHUOQNX-UHFFFAOYSA-N 430.376 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247836789 IJWHQTDTVXSIBQ-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420611 XPARDSBMZWQBLJ-JSGCOSHPSA-N 437.371 2.314 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255630884 QELOYOMZJIQUHR-OAQYLSRUSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255806621 IATXURMYCXEHOU-UHFFFAOYSA-N 438.330 2.240 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837141 KHEVOXXJLIQASG-UMVBOHGHSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256604072 AAYKJPIYFIUPKP-IRXDYDNUSA-N 436.358 2.394 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267542814 XOFWGILJSZIVDA-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548091 DJHXCKANIHIHDJ-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2269710854 GTLRLLDOBIYCKS-IQMFZBJNSA-N 443.353 2.428 30 10 IEEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)C3CC4(C3)OCCO4)c2)OC1(C)C 2277955792 MUIHHIUIKHMJCM-UHFFFAOYSA-N 429.731 2.286 30 10 IEEE C#CC1CC(NS(=O)(=O)c2cc(Br)sc2Br)(C(=O)O)C1 2281291908 NPKICLGLJIGBKX-UHFFFAOYSA-N 443.138 2.418 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](Oc3ccccc3)C[C@@H]2C(=O)N2CCCC2)cc1 2297645255 IZZNYGOXEBOMIS-PZJWPPBQSA-N 425.510 2.391 30 10 IEEE COC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2329207546 CRDKAHYLMLEUFO-UHFFFAOYSA-N 428.470 2.458 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccn1C 2330731982 WVKAQBPIQVDQCS-UHFFFAOYSA-N 429.481 2.005 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2337202482 JZYVRWNJOAKTLE-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2341888810 MSIBJPJEQGGWFY-HNNXBMFYSA-N 441.337 2.397 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)CC1 27559762 OFWUGUQCAQQPQN-HSZRJFAPSA-N 426.586 2.182 30 10 IEEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59887540 OJIWQVGUFLEKCA-KEBDBYFISA-N 428.522 2.096 30 10 IEEE C[C@H](C/C(N)=N/O)N(C)S(=O)(=O)c1cc(Br)ccc1Br 63091998 OCAWOTFHJSNYLZ-SSDOTTSWSA-N 429.134 2.357 30 10 IEEE COc1cc2c(c(OC)c1OC)C(=O)C(=O)N2CC(=O)Nc1sc2c(c1C#N)CCC2 96550362 QBWGPMATNAOSDJ-UHFFFAOYSA-N 441.465 2.302 30 10 IEEE CCOc1ccc([C@@H]2C3=C(NN/C3=C3/C=C(Cl)C(C)=CC3=O)C(=O)N2CCO)cc1 137003689 DICLWMSIWDVXPV-OHUBLEDJSA-N 427.888 2.229 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O 409618567 CBWLROINTYRVSZ-UHFFFAOYSA-N 432.885 2.326 30 10 IEEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc21 427320165 KBYUZMCKLNTWLP-UHFFFAOYSA-N 445.479 2.250 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3(CC#N)CC3)cc2)C1 429919914 FOHBQZGQYNGRGL-IYBDPMFKSA-N 425.576 2.325 30 10 IEEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 437544393 FVZSYFAXOOUTKA-INIZCTEOSA-N 444.532 2.400 30 10 IEEE CC(=O)N1CCN(C(=O)CCNc2c(C#N)cnc3c(Br)cccc23)CC1 440644503 BOHPWDNEIGKXIQ-UHFFFAOYSA-N 430.306 2.362 30 10 IEEE CCO[C@@H]1C[C@](NS(=O)(=O)c2cc(Br)cc(C#N)c2)(C(=O)OC)C1(C)C 444276315 HCDVSANNCPSLRZ-PBHICJAKSA-N 445.335 2.346 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447790742 YZFRKXSLKVDDPM-UHFFFAOYSA-N 438.578 2.187 30 10 IEEE COCCN1CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1=O 470627730 QZVUEMWPZGIRBN-UHFFFAOYSA-N 446.558 2.415 30 10 IEEE COc1ccc(OC)c(CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C2CC2)c1 480112704 KEUYMANUGCMBCV-OAHLLOKOSA-N 443.525 2.433 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCn3c(nnc3-c3cccnc3)C2)cc1C(F)(F)F 481498322 JYPJYIVBIKOQBF-UHFFFAOYSA-N 434.403 2.435 30 10 IEEE C=CCN(C(=O)N[C@H](c1ccc(C(=O)OC)cc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 482437112 OQZLWYGPAUCFOH-LSDHHAIUSA-N 434.436 2.461 30 10 IEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C#N)cc1 505332825 GZVTXOXFGWPWRF-HNNXBMFYSA-N 443.485 2.244 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCc3ccccc32)CC1 508466717 VSLKTFFKTLERJK-KRWDZBQOSA-N 444.605 2.353 30 10 IEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 508482274 XPBVKMZVECCIJX-QHCPKHFHSA-N 433.516 2.138 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 512397601 GOAZCYXYSCECNV-OAQYLSRUSA-N 447.539 2.460 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1-c1ccccc1C#N 521498292 ILEBMQNLRDGION-UHFFFAOYSA-N 440.528 2.193 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)s2)c1=O 521718161 IVHGLOGKXGJRHN-UHFFFAOYSA-N 432.567 2.279 30 10 IEEE N#Cc1cccc(N2C(=O)C(Sc3ccccc3)=C(N3CCN(CCO)CC3)C2=O)c1 526680893 REWQLXVEUDNYGG-UHFFFAOYSA-N 434.521 2.045 30 10 IEEE COc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1OCCO 540616976 SVQQCIPTFDDSLG-QGZVFWFLSA-N 427.482 2.092 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCn2nc3n(c2=O)CCCC3)n1 543889097 AQAALBQVUHDLCB-UHFFFAOYSA-N 440.895 2.304 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)c1cc(Br)cc2cccnc12)C(=O)OC 561552507 VDOUZWKIGXOSLQ-ZDUSSCGKSA-N 429.292 2.020 30 10 IEEE C=CCOc1ccccc1CNC(=O)N[C@@](C)(C(=O)O)c1ccc(S(C)(=O)=O)cc1 571503211 JLARXSOECYVGOC-OAQYLSRUSA-N 432.498 2.454 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H](c3ccncn3)C2)CC1 603902581 KYEWYGMCWREENA-KRWDZBQOSA-N 447.499 2.124 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)N[C@@H](C)c4cccc(C#N)c4)CC3)C2=O)n(C)n1 611562842 QMZJBOQCGRFKSB-RXVVDRJESA-N 449.559 2.184 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 619569758 IYJKBLMGDZYXQP-QGZVFWFLSA-N 440.301 2.170 30 10 IEEE NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cscn2)cc1 726402869 UIIFGTPXFQIBIQ-OAHLLOKOSA-N 429.527 2.042 30 10 IEEE Cc1cccc(NC(=O)[C@@H]2CCCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)n1 726586366 WPPRBACDUFWWKX-HXUWFJFHSA-N 446.511 2.334 30 10 IEEE COc1ccccc1-n1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669873 DFVSPOYWXQOAQA-UHFFFAOYSA-N 444.516 2.283 30 10 IEEE C#CCCNC(=O)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 733673081 OSUQKJKAKGRFJY-UHFFFAOYSA-N 428.286 2.457 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1cccc(C)c1C 735068889 HXLMJWNXLOKIFE-UHFFFAOYSA-N 449.580 2.152 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)ccc1F 740212533 PYRQKKCQQBDLGV-SFHVURJKSA-N 432.429 2.233 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 748067022 XNUQSIVJCCBBOO-UHFFFAOYSA-N 427.570 2.257 30 10 IEEE CN(C)C(=O)Sc1ccc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 752536471 LNHFOCYAUPFNGC-UHFFFAOYSA-N 433.511 2.354 30 10 IEEE CCOc1ccc(-c2nnc(SCCS(=O)(=O)c3cccc(C#N)c3)n2N)cc1 753968301 KPBOQOQLTILSNE-UHFFFAOYSA-N 429.527 2.495 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cncs2)c1=O 767880250 LLISYVABWGVQKH-UHFFFAOYSA-N 436.562 2.226 30 10 IEEE Cc1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)c(=O)[nH]c1C 770674577 HXLQRMHWKWBVPU-ULJHMMPZSA-N 431.518 2.232 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 772208237 OLYGVIUBFNGXTN-GOSISDBHSA-N 447.557 2.212 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1)c1cc[nH]n1 772539176 WWAIYEFJZVITIX-HNNXBMFYSA-N 432.481 2.344 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)CC1 772654209 ZTICIXLSXREYCQ-UHFFFAOYSA-N 448.445 2.073 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)[C@H]1CCCO1 773549086 PDZAYTUPENUSNH-FUHWJXTLSA-N 438.450 2.152 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@@H]1CCCO1 782587923 DWTOHUSJSBCWCO-AWEZNQCLSA-N 429.567 2.151 30 10 IEEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782884471 OTSJUFLZXXVOOI-ZDUSSCGKSA-N 448.442 2.350 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1)CC2 786808832 GJWYWKPTMCSBOM-INIZCTEOSA-N 429.498 2.247 30 10 IEEE C=CC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CCCN1C(=O)OC(C)(C)C 790671169 GLXLGDQAGYLLCP-ZHRRBRCNSA-N 431.537 2.378 30 10 IEEE CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 791051889 ZAHOXUNKBLDSFS-JRWGXLCNSA-N 425.485 2.070 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 794894529 YSMWLSMFEVUWSQ-WDSOQIARSA-N 436.892 2.094 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCC(C#N)(c3ccccn3)CC2)CC1 796059200 YPMGDBKCUQDNPP-UHFFFAOYSA-N 427.549 2.408 30 10 IEEE CC[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 797811818 PUGFNRFAMNKRLG-LZQZEXGQSA-N 445.589 2.443 30 10 IEEE C[C@H](C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1)n1cnc(C#N)n1 798825965 NNSIVCPKYCQYEB-CYBMUJFWSA-N 445.888 2.448 30 10 IEEE C[C@@H](C(=O)OCc1ccccc1[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 798857971 ZNXJZBJLXSHVIS-OYHNWAKOSA-N 441.488 2.283 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 800018255 CEFQOIMYVOWRGN-IBGZPJMESA-N 444.944 2.395 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(C)CCC#N 800164442 DSBBFKBZERGXKN-KRWDZBQOSA-N 438.550 2.379 30 10 IEEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccccc2F)n1 807928628 BTFBUTZZQPSIOM-CYBMUJFWSA-N 444.414 2.155 30 10 IEEE C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(N2CCCNC2=O)cc1 812942699 VLBGSUXMAIXDGU-QGZVFWFLSA-N 433.516 2.466 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccccc3OCC3CC3)nc2)CC1 920368397 OFJDIHLNYMPLFN-UHFFFAOYSA-N 429.546 2.253 30 10 IEEE COc1cccc([C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)OC)c1 1131332250 CTYFUGQVQVKUPQ-WOJBJXKFSA-N 436.468 2.276 30 10 IEEE C[C@@H](C#N)CNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1136816554 KJWXSSBMKBKYEE-NSHDSACASA-N 427.299 2.025 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)cc1OC 1142055927 NZXQBBRQHBBQMI-GOSISDBHSA-N 434.537 2.487 30 10 IEEE N#CC1(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CCSCC1 1144142616 JMXUGSDRDRHICU-UHFFFAOYSA-N 444.582 2.495 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CS(C)(=O)=O)C2)n(C2CCCCC2)c1C 1176599044 NQQYRKUDAMTRJR-GOSISDBHSA-N 436.578 2.166 30 10 IEEE C[C@@]1(NC(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 1213478529 IAIYAQYKTDXGTE-CYBMUJFWSA-N 429.342 2.409 30 10 IEEE N#Cc1ccc(OC(=O)CN2CCCC3(CC3)S2(=O)=O)c(I)c1 1270730080 AZJLSPJTFDCRLH-UHFFFAOYSA-N 446.266 2.026 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1286324897 TYWYWKCZPPJWHU-QHCPKHFHSA-N 433.516 2.360 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1286380666 CNHUCKCLWZRRAI-FQEVSTJZSA-N 446.536 2.195 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1286384216 QFYWWYCFEKGFIO-HKUYNNGSSA-N 441.582 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CC 1286421933 HJWNCUZODIMFQT-QFIPXVFZSA-N 442.589 2.171 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1286443656 KLJLGNFMLNECMH-LEWJYISDSA-N 436.560 2.071 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cc1 1286958896 CHYMKLBOVWVTDK-CVEARBPZSA-N 434.566 2.320 30 10 IEEE COc1ccc(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)cn1 1300201027 DXGMTEMALHSYHF-HNNXBMFYSA-N 444.499 2.240 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCCC2)cc1 1300458708 LCJQUTMGQQNKTA-NRFANRHFSA-N 441.601 2.284 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300501671 MXBSJELDULIIDR-SFHVURJKSA-N 445.564 2.111 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1300523289 ZYQAOUCJIFPNQO-UHFFFAOYSA-N 445.523 2.481 30 10 IEEE CN1C(=O)[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)Cc2ccccc21 1300636680 QRDXWVODWZYLJM-SNTJIJGESA-N 438.528 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(N(C)C)CCOCC2)CC1 1300685141 HUTFVBDXTYDSDM-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC2CCCCC2)CC1 1300697319 AAOVEODYBKIOPM-FQEVSTJZSA-N 428.581 2.114 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1300710245 YBXJEMHRYDKZAY-IBGZPJMESA-N 446.596 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(C)C(C)C)CC1 1300719405 ZHEVIJDZOTZIAH-UHFFFAOYSA-N 438.576 2.260 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1300780435 PUDRNLMLXHIPCJ-PGRDOPGGSA-N 443.935 2.269 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300972996 SGGZXLSRRYNAFX-SFHLNBCPSA-N 432.613 2.373 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1301166178 QRSZWQJSFYANEN-YADARESESA-N 436.560 2.462 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301505894 CCFHNYOWYFQPSF-UHFFFAOYSA-N 442.539 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1 1301587393 OFPFXQWWQCDBDF-UHFFFAOYSA-N 448.980 2.493 30 10 IEEE COCCn1cc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@H](C)CC#N)cn1 1301852670 CWHWCLHOWWVKDW-QGZVFWFLSA-N 433.520 2.146 30 10 IEEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1302805010 GDAIFHLGDUYDDX-OTWHNJEPSA-N 435.594 2.371 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@@H]2CCOC2)cc1 1302993226 AQMLUBGTVJZTTA-LJQANCHMSA-N 438.532 2.247 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)Br)CC(=O)N1C 1305149515 CZCWOODIGQCVRS-LLVKDONJSA-N 439.264 2.471 30 10 IEEE COCC[C@@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1315978843 FHSQJCXNNWMNQP-SIKLNZKXSA-N 425.533 2.264 30 10 IEEE COCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1316262140 GJKMAKQWIFMEAA-OAQYLSRUSA-N 425.468 2.236 30 10 IEEE C=CCO[C@@H]1CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1320039426 KMGZQOCTQYYXOP-LJQANCHMSA-N 433.574 2.027 30 10 IEEE C#CCCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358917709 YYVUPMFJJZNSIY-ZJSXRUAMSA-N 445.608 2.281 30 10 IEEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358946127 JSSDCRUQWMJQFV-OAQYLSRUSA-N 433.560 2.439 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc(F)c(F)c1 1358970263 KAMDJVNBHMZCSM-JOCHJYFZSA-N 430.455 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOC(F)(F)F)CC1 1359043208 LOWHJSMAIMFSDO-UHFFFAOYSA-N 438.454 2.176 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1359069480 MZGODSDALZUSDV-GBXCKJPGSA-N 436.560 2.210 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359183181 FFZLFCFJMPPTNV-OAHLLOKOSA-N 432.550 2.151 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359202996 GKPHSJKJQMKIBJ-TYPHKJRUSA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 1359302588 MGHKIUOHHYDRHQ-UHFFFAOYSA-N 425.581 2.124 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)cc(C)c2C1 1359304071 KNOPRLGDIOBQKD-UHFFFAOYSA-N 437.523 2.452 30 10 IEEE C=C(C)C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1438910434 YRAFOLZFWSCXDX-XHDPSFHLSA-N 437.290 2.448 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)n[nH]2)c1C 1441339642 RCAHIAVFNGBHIS-JOCHJYFZSA-N 433.472 2.383 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)Nc2ncccc2OCCCC#N)c1 1442964760 BELPBCUGVUSCIV-UHFFFAOYSA-N 436.515 2.433 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 1456854601 MHARXLIJRREPME-PMACEKPBSA-N 438.488 2.043 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ncc(C#N)cc3[N+](=O)[O-])C2)CC1 1458115741 CMRSWJOUKRGOQV-MRXNPFEDSA-N 444.492 2.157 30 10 IEEE C#CC[C@]1(C(=O)Nc2nc3nc(CCC)cc(=O)n3[nH]2)CCCN1C(=O)OC(C)(C)C 1461859352 RUZBTDSYDYRIJR-OAQYLSRUSA-N 428.493 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)NCCNc3ncccc3C#N)CCC2)C1 1464504446 FOOZKUQTVMBFNR-HSZRJFAPSA-N 443.548 2.414 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C\c2cncc(C(=O)NC)c2)n1 1464711875 LAGDHEAXLLNLNL-PLNGDYQASA-N 441.542 2.207 30 10 IEEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CC[C@](O)(CC#N)C2)c1 1469405632 MSLPDSUZVKTULL-OAQYLSRUSA-N 430.482 2.344 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2nccnc2C)CCOC1 1502687737 CGOJOBJGGZBENF-FCHUYYIVSA-N 425.537 2.401 30 10 IEEE CN1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1503678227 FOWPGRPWQHZVEH-XMMPIXPASA-N 437.592 2.132 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1507626478 AKOZCGULRIUTIY-SFHVURJKSA-N 445.589 2.117 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507630977 KLFANFRCPPIAIE-HKUYNNGSSA-N 443.573 2.090 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507638267 XKENZBYCQDUFIP-MRXNPFEDSA-N 430.553 2.183 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)SC 1507654315 YRUSWPVBZAEFRS-IRXDYDNUSA-N 433.578 2.411 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C(F)(F)F 1507654369 ZUHCBGJQAGXOPX-MRXNPFEDSA-N 436.459 2.320 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCNC(C)=O)CC1 1507718134 CCDAOTGOUUIGCH-UHFFFAOYSA-N 431.544 2.083 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1507803540 HRJBOHHGKZNEDK-TZIWHRDSSA-N 439.564 2.097 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1507843765 SZYYCTLXXQAPRL-HXUWFJFHSA-N 440.548 2.157 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1508079601 ADJSSCPLEXEUAI-IYBDPMFKSA-N 445.593 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508139517 BPSPQFKMMWTRBU-QGZVFWFLSA-N 438.594 2.311 30 10 IEEE CC1(C#N)CCN(c2nnc(CCc3ccccc3)n2CCCNS(C)(=O)=O)CC1 1510293680 JQXWQEKDMFKGQI-UHFFFAOYSA-N 430.578 2.133 30 10 IEEE Cc1cccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511144571 YSMUZULADUIZGL-ZJYNUGOYSA-N 439.545 2.117 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)c1nccs1 1515864422 IKJJXETURFHTCJ-UHFFFAOYSA-N 449.554 2.227 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1C 1515903751 FFKHVHYDPDWBPN-XLIONFOSSA-N 442.589 2.314 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](F)COC)c2ccccc2c1=O 1515949663 RWQWTTWBWXASIT-QKKBWIMNSA-N 443.458 2.101 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CCC1 1515975107 DKTSRGCRSCNHFW-UHFFFAOYSA-N 449.559 2.215 30 10 IEEE CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1517121261 DRTSRWGRTIVHGV-FZEVHQGJSA-N 438.513 2.116 30 10 IEEE CCn1c(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)nc2cc(C#N)ccc21 1521270331 KSBCBLGWYARGPQ-UHFFFAOYSA-N 446.529 2.403 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1533478021 BAIZLZYSSQUAKO-IYBDPMFKSA-N 442.965 2.250 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CCO[C@](C)(C#N)C3)c2C(F)F)C1 1536619270 NENONJKYDHCQGL-HXPMCKFVSA-N 440.451 2.152 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1539161512 GQJNAJQVEBVYIW-LJQANCHMSA-N 433.564 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C)C1 1539642004 HKTKNNZXVUOJMK-MDZRGWNJSA-N 431.562 2.476 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1539702030 XMDZPCPFBCVDQC-IBGZPJMESA-N 440.523 2.226 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1539898483 ULQDPAXTXUECBL-UHFFFAOYSA-N 448.531 2.305 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540902596 MULAIVSGPIWQHF-DLBZAZTESA-N 426.583 2.372 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2sccc2C1 1540907198 OCYMPXXDLOBGJY-UHFFFAOYSA-N 446.602 2.365 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1541269759 GFMKKLANEOBMNL-UHFFFAOYSA-N 447.547 2.240 30 10 IEEE CC(C)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541372373 WSAQNIHMJFRCKS-UFVMTTLYSA-N 428.537 2.181 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1541959783 FSAZFBOZIUJQTG-JKSUJKDBSA-N 430.484 2.154 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2snnc2C)c1 1542173332 GDSMXVDBTAHQDC-KRWDZBQOSA-N 425.518 2.411 30 10 IEEE CCCN1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547177212 KBJHRWQRHBPGNR-IBGZPJMESA-N 429.594 2.485 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1557715220 OLZWFWOLXYDFQY-UHFFFAOYSA-N 437.525 2.090 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCCN1CCCO 1569469881 GNNALTBVQAWPGJ-OAHLLOKOSA-N 440.338 2.061 30 10 IEEE Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc(S(C)(=O)=O)c1 1583145829 AGMUGMXSXNWAGW-SFHVURJKSA-N 440.481 2.114 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCn4nc(C(F)(F)F)cc4C3)C2=O)cc1 1585696799 NCOMNSVKXFGEMN-OAHLLOKOSA-N 446.389 2.021 30 10 IEEE C[C@H](CC(=O)N1CCC[C@](C#N)(c2ccccn2)C1)NS(=O)(=O)c1cccnc1Cl 1587187445 WDEFJUKXNNXKPR-FOIQADDNSA-N 447.948 2.271 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1587639720 MSLQWVSEOYZRLI-QLFBSQMISA-N 433.603 2.268 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCCC1 1587766452 VAAKONTUJMSZJH-LJQANCHMSA-N 437.610 2.431 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1588266145 MDUFIMQMLBKWDT-ZDUSSCGKSA-N 445.467 2.295 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)c1ccccc1 1588420539 FIACZFBNRQLQRQ-UHFFFAOYSA-N 448.552 2.450 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(=O)N1 1588574651 PAKIJYQHZVXQJD-RBUKOAKNSA-N 425.533 2.400 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1589059673 HOHAWHKFEJQBGT-XUVXKRRUSA-N 433.622 2.086 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1589530530 WJIZSGPOINKBQI-FXAWDEMLSA-N 427.553 2.109 30 10 IEEE C=C(Cl)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1593932349 HONLKWACHHWHNT-NRFANRHFSA-N 449.987 2.129 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594498866 YHGFDYXEHWMWOC-IAGOWNOFSA-N 442.568 2.306 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1595165254 DIAXGFFAEVANSF-ICSRJNTNSA-N 438.580 2.101 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1595302721 CYAHUYZEYWPKNS-RTBURBONSA-N 425.533 2.474 30 10 IEEE CC1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1611787299 SGXDAUMMKAOAGD-KRWDZBQOSA-N 428.562 2.477 30 10 IEEE N#Cc1cc(Br)cnc1N1CCN(Cc2nnnn2-c2ccccc2)CC1 1612168180 SMTQXFYXEMDEHZ-UHFFFAOYSA-N 425.294 2.014 30 10 IEEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1-c1ccc(C(F)(F)F)cc1 1616346312 HMMRMQZTBISGJP-HTXNQAPBSA-N 433.390 2.456 30 10 IEEE CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1616385309 CHRCZFTWQIDNRU-YCRPNKLZSA-N 428.468 2.127 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCSC1 1616957200 AGPQWFZLVJDYEI-GHTZIAJQSA-N 429.546 2.132 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC)C1 1618526285 FJPKTHAHLPMZQJ-GOSISDBHSA-N 426.521 2.116 30 10 IEEE Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nccn2C)cc1S(=O)(=O)NCC#N 1628352182 VCHCJXLSVBMNSD-IBGZPJMESA-N 437.525 2.244 30 10 IEEE N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(S(N)(=O)=O)CC2)cc1 1630720819 KXZYUGMYKYNOMJ-UHFFFAOYSA-N 430.555 2.248 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(CC)CC)CC1 1634980039 OYRKNRLJWGUJLO-QGZVFWFLSA-N 445.004 2.471 30 10 IEEE CC1=C(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)Cn2nnnc2N1C 1636463954 QYYHXNDOFJPWCA-RKDXNWHRSA-N 446.302 2.026 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)C2)cc1 1638959034 NVFBPDOAUPULMG-UHFFFAOYSA-N 426.498 2.435 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(C2CCC2)CC1 1640820858 BYCOHXZHUKNGGY-IBGZPJMESA-N 432.590 2.273 30 10 IEEE CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854267 CJPVURSOZASQRL-UBWHZCOUSA-N 431.514 2.148 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)CC1 1644285492 QODDKUGRVLRDAM-UHFFFAOYSA-N 442.541 2.223 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H](CC(F)(F)F)O1 1654304689 ZDWFARVHGUAHEQ-OWCLPIDISA-N 430.496 2.499 30 10 IEEE Cc1ccc(S(=O)(=O)c2ccc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)cc1 1660315443 SHPNVFMDCFGJAX-RXVVDRJESA-N 430.551 2.198 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 1662577697 YFIWAAAIMKSWSB-CHWSQXEVSA-N 441.278 2.440 30 10 IEEE C#CC[C@H](CCOC)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1668874851 ACVIZEOAJWTJRE-MRXNPFEDSA-N 432.525 2.084 30 10 IEEE C=CCn1cc(CNC(=O)N2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1673806495 KPUPWZVARMKHJV-MRXNPFEDSA-N 434.541 2.164 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 1677914221 LHQHMHTZCBDUIM-UHFFFAOYSA-N 436.530 2.448 30 10 IEEE C=CCNC(=O)CNC(=O)Nc1cccc(Br)c1I 1678774799 MXHJRKJXVMKDJR-UHFFFAOYSA-N 438.063 2.477 30 10 IEEE C=CC[C@@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 1684649227 QRQVMHSWTNHNJK-GOSISDBHSA-N 433.490 2.227 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCC)c(OC)c1 1689966089 KRNGRZJLXCMTMO-SFHVURJKSA-N 446.573 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1ccn(-c2ccc(F)cc2)n1 1690030147 PGHXXPASQWLKHW-UHFFFAOYSA-N 447.518 2.447 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1nnc(C)s1 1690104106 MTIMMMAMISMISB-SFHVURJKSA-N 440.529 2.279 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690159739 LBABZWQEDWVWLZ-HZPDHXFCSA-N 429.458 2.334 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1c(C)nn(C)c1C 1690170734 OYGYSTIPFVXAHQ-UHFFFAOYSA-N 441.561 2.359 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1690596879 COKFKPCPVAMRRP-KRWDZBQOSA-N 425.599 2.472 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1693109188 OPLDOXJMMWRSOZ-ZOCIIQOWSA-N 426.521 2.283 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1693391018 FQCNQVYHVVLXOV-VQTJNVASSA-N 435.532 2.343 30 10 IEEE CN(C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1696613775 BORYATWKASNELM-QFIPXVFZSA-N 425.512 2.066 30 10 IEEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)cc1OC(F)F 1697451558 ZJIJYPJJKFPVAV-TZMCWYRMSA-N 434.447 2.483 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705827321 ASFQBNWFAOIQGN-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705903622 YWRNLWBYNMVCAB-VQTJNVASSA-N 436.516 2.271 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCN(C)C1 1706068258 HFNVEFIZZXTXQD-LIRRHRJNSA-N 433.354 2.370 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1706074805 FHAFHFGNYDCBBB-DLBZAZTESA-N 447.561 2.250 30 10 IEEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1707690815 HXNDMWNSWASIGE-LSDHQDQOSA-N 429.484 2.500 30 10 IEEE CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708822219 NNEJKOAOZKRKGU-IBGZPJMESA-N 439.564 2.316 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1708824969 GFCINGGBCNSSEG-UHFFFAOYSA-N 438.532 2.091 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)cc1 1711798769 BNYUOICICFVPQF-SFTDATJTSA-N 431.537 2.382 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC(F)(F)F 1712453541 RGZVZVSLPKJGHV-UHFFFAOYSA-N 445.833 2.038 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)C1 1712875300 BPPMLTQXMXPWKQ-YCRPNKLZSA-N 430.459 2.183 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[C@H](O)C2)c1 1722309122 JLRBNABLNMNHEO-NQIIRXRSSA-N 447.543 2.286 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722322901 XNWOXJHDVRVKBO-SFHVURJKSA-N 437.548 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1722386638 FRNODGMDDSWJIX-HXUWFJFHSA-N 425.496 2.261 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C 1722397802 UUCPMYHUDVPXDU-SFTDATJTSA-N 445.633 2.154 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(-n2ccnc2C)nc1 1722424097 AVMRQNGQOFLQQL-UHFFFAOYSA-N 428.500 2.364 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722439907 UGYADJUBDVCEHW-FGZHOGPDSA-N 435.620 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCC)cc2)CC1 1722446419 VYIHYVJRXKAUCR-UHFFFAOYSA-N 445.527 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2c(CC)nn(C)c2CC)CC1 1722446984 FVAUBGYGTRYDTA-UHFFFAOYSA-N 439.608 2.349 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1722668753 ZHPWCIPEMBXGFM-NRFANRHFSA-N 432.546 2.333 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1722696808 BJIGDSVDEGXMGW-UHFFFAOYSA-N 426.477 2.369 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(CC(C)C)C2)C1 1722713877 JYJRYVBDQWJCFC-VAMGGRTRSA-N 430.597 2.379 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1723226648 NQMYMEIVKRPWHS-LJQANCHMSA-N 438.532 2.070 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1 1727477022 IWZVNGPAKUHGMP-BTYIYWSLSA-N 433.532 2.351 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1740769115 ZKRPWUJROOTDLE-IIBYNOLFSA-N 429.496 2.304 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1740863876 HSIHCSOLVHYQCB-IAGOWNOFSA-N 443.639 2.299 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnccc2OC)C1 1740972588 KDDFEJGMOWKVNT-GCJKJVERSA-N 429.521 2.163 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1741003678 AGAXTPOUJBVEPU-HNNXBMFYSA-N 427.621 2.176 30 10 IEEE COC1(C(F)(F)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1748460139 NXLGXAKLLOWJRK-MRXNPFEDSA-N 425.480 2.495 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cnnn1 1749471471 OIZKMNYRQJMZFF-UHFFFAOYSA-N 433.314 2.415 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1749650972 KWQPSXYSDCIXPY-SFHVURJKSA-N 447.499 2.275 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749698433 SKXGCDLKZAQJEN-SIKLNZKXSA-N 437.592 2.458 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)C1 1750380456 ROGZWUUGTOITIU-PGRDOPGGSA-N 426.496 2.321 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(F)c2)CCO1 1750387471 ZJBQXZLQYWODEU-GOSISDBHSA-N 435.463 2.426 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1750390127 FTZYEVMMRRYDTF-JKSUJKDBSA-N 439.486 2.243 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)N(C)C 1760249235 XPUMWUAPMOUUMO-RTBURBONSA-N 444.967 2.272 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1760250416 HWDQSEHADLMBHS-UHFFFAOYSA-N 446.490 2.118 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cccnc2OC)CC1 1760258510 NEGAMYGZQJYGSZ-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760269463 IXNMJBDYQMTFAO-MRXNPFEDSA-N 444.580 2.425 30 10 IEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 1760274301 MCWQKOKXKJVVPH-AWEZNQCLSA-N 434.363 2.386 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)CC1 1760389825 VDGWCGPFNRIEAU-OAHLLOKOSA-N 433.509 2.114 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1760457521 VWHGFPYAFPARCW-MRXNPFEDSA-N 431.537 2.314 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@H]1C 1760515215 ROWXPSFKQJVGIG-QGZVFWFLSA-N 440.548 2.453 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)COC)C1 1760544693 FLNSNQVFYFSWLG-IRXDYDNUSA-N 448.593 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C 1760557241 FKAWWWQAIKPAHK-MRXNPFEDSA-N 447.586 2.271 30 10 IEEE CC(=O)N1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1760588862 XFOYUTMZKCZQQK-KRWDZBQOSA-N 444.486 2.134 30 10 IEEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1760927457 WZKRDTIEIGMGGE-DEOSSOPVSA-N 435.576 2.464 30 10 IEEE CCCNC(=O)CCn1c(COCC)nnc1N1CCCN(c2ccccc2C#N)CC1 1766235527 BCXIKTGSMMULKR-UHFFFAOYSA-N 439.564 2.319 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1769912446 NEPBSENYFCDJQJ-JTSKRJEESA-N 442.495 2.319 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C1CCCCC1)N(C)C 1771222455 IIRUNYXDCWKNRW-RLLQIKCJSA-N 434.585 2.241 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCn2cnnn2)cc1 1771534588 HJKDXUVZDHGYGG-MRXNPFEDSA-N 443.462 2.287 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)c3cnn4ccc(C(F)(F)F)nc34)CC2)CC1 1849030138 OOBXLYOBNXSRRI-UHFFFAOYSA-N 434.422 2.362 30 10 IEEE C=CCOC(=O)[C@@H](CC(=O)NC1CCN(c2nccn3c(C)nnc23)CC1)c1ccccc1 1852649248 FSVNCZUFGYWREF-FQEVSTJZSA-N 448.527 2.421 30 10 IEEE C[C@@H]1CC(=NC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)NN1c1ccc(Cl)cn1 1852733768 JLORHZGEXQEQOI-PBHICJAKSA-N 443.939 2.441 30 10 IEEE Cc1c(CN(C(=O)c2cccc(C#N)c2)C2CCN(c3nccn(C)c3=O)CC2)cnn1C 1853472073 BVBPRKONBWYRPQ-UHFFFAOYSA-N 445.527 2.005 30 10 IEEE C[C@H](Cc1nc(-c2ccccc2)no1)N(C(=O)CC#N)[C@@H]1CCc2nn(C)c(=O)cc2C1 1853505891 NHDKEKNKJUQHAP-CRAIPNDOSA-N 432.484 2.061 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc3nc(C)sc3c2)C1=O 1853681361 AFQQSKZNQVITBU-ROUUACIJSA-N 426.542 2.455 30 10 IEEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)cc1 1853737276 KRGXDORWMQVNPW-HXUWFJFHSA-N 429.542 2.121 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](c4cccc(F)c4)C3)ccc21 1856869180 YLBQYKLANPZMHC-OAHLLOKOSA-N 427.457 2.333 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)N2CCCC2)cc1 1858675388 GLYMMPQUTYUSER-UHFFFAOYSA-N 427.486 2.374 30 10 IEEE CC(=O)n1ncc2c(C(=O)Nc3c(C#N)nnn3Cc3ccc([N+](=O)[O-])cc3)cccc21 1870111449 ODOYPQRPIZWQFQ-UHFFFAOYSA-N 430.384 2.368 30 10 IEEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870150964 KCOXKWCXBNLPGM-HNNXBMFYSA-N 430.424 2.137 30 10 IEEE N#Cc1ccc(COc2cn(CCCCN3CCCC3)c(CN3CC(O)C3)cc2=O)cc1 1870350292 YDCBDXHBJNPZHQ-UHFFFAOYSA-N 436.556 2.351 30 10 IEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1871009141 GIMLADWOSWKTAN-UHFFFAOYSA-N 442.453 2.076 30 10 IEEE N#Cc1cccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873317517 AKXDZLGDIRRFPR-UHFFFAOYSA-N 438.434 2.361 30 10 IEEE C=CCn1c(C(=O)NCC)cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21 1873594663 YXVYUFBZNARSHZ-UHFFFAOYSA-N 448.527 2.418 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)c1 1890058996 NHFHSNNYUSYZKA-LJQANCHMSA-N 427.545 2.059 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3Cl)CC2)CC1 1890188608 BVSCIXLYPGHTQV-UHFFFAOYSA-N 433.980 2.367 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cccn(Cc3ccccc3F)c2=O)C1 1891382559 SUDWMYCRESUMSN-KRWDZBQOSA-N 433.443 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(c2ncc(Br)cc2C#N)CC1 1965634663 GFSSBWPNCJNUJP-UHFFFAOYSA-N 438.326 2.279 30 10 IEEE C#CC[C@@H](COc1ncnc(I)c1OC)NC(=O)OC(C)(C)C 1986468781 JWNWHAAGODWANG-JTQLQIEISA-N 433.246 2.385 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1 2010148445 SJSLHVPVPWPFHN-GBXCKJPGSA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(NCc3occc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2039823310 AMAQNOOLECCHPR-UHFFFAOYSA-N 434.342 2.495 30 10 IEEE N#CC1CN(S(=O)(=O)Nc2ccc(I)cc2Br)C1 2046103265 DRGDDVSWFFNVNW-UHFFFAOYSA-N 442.076 2.166 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060633797 RPMRRLICBQAWTH-DMRKSPOLSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227462101 HIPXVWKANRBKGQ-SFHVURJKSA-N 442.331 2.452 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N[C@H](CS)C(=O)O 2229109206 GTPGCIMOUQRFQP-CHWSQXEVSA-N 447.351 2.384 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390181 QAAHLIRVGJQGQZ-GFCCVEGCSA-N 425.360 2.333 30 10 IEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243417674 QSFIPIDVKNIHJT-UHFFFAOYSA-N 427.332 2.019 30 10 IEEE C=CCC1(NC(=O)[C@@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2246477714 VLQAXTPYBOPPKD-HOTGVXAUSA-N 439.553 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247834939 DFRAGWAIAMKKAK-RYUDHWBXSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2250290596 UMDKNRGEDXZVJN-CHWSQXEVSA-N 437.371 2.475 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](C)CCO 2255636911 BCEZKDWCOLZORN-MRXNPFEDSA-N 427.354 2.441 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2255647613 AXJWEHYOHGTEPH-UHFFFAOYSA-N 431.342 2.428 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255656350 ZMSDDTFNYLGAPK-DGCLKSJQSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255707578 YBEDOFVJSYUHIX-UHFFFAOYSA-N 431.342 2.443 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2255970573 BIGXXXSEWWVMAZ-GFCCVEGCSA-N 436.314 2.040 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267093486 UYOBTGNAMCIFCR-CQSZACIVSA-N 446.357 2.371 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2267181655 VLFATDGLMQJRNH-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267268301 SKBLCGPQRFLQIU-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267480026 UBQVINZSDWRVRK-UHFFFAOYSA-N 449.357 2.042 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267502662 RBMGQWIKAZNMLY-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267599108 KEHYBTNWRVKRCK-ROUUACIJSA-N 446.353 2.004 30 10 IEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267873948 VAJWLTJFECGMRF-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2301743992 VKHIAMRYVIDXFC-CQSZACIVSA-N 425.310 2.472 30 10 IEEE COCCn1cc(C#C[C@H](N)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cn1 2302006838 AXORMSAHCOKGTB-LEWJYISDSA-N 428.533 2.318 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 2302955046 KCOCEQJVZZMWLD-CVDCTZTESA-N 447.601 2.064 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339302774 QQGPDUIIRVERQP-QFBILLFUSA-N 443.353 2.497 30 10 IEEE Cc1cc(CNC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2343587154 YUDWGNRRUCYROL-UHFFFAOYSA-N 446.353 2.458 30 10 IEEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1c(F)cccc1F 20291920 LZHIOIBUQJULOA-ODCIPOBUSA-N 448.415 2.355 30 10 IEEE COc1ccc([C@@H]2c3c(nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72444842 KRQGQAZYRXLZRJ-OSDKZWGASA-N 437.500 2.493 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)CC1 426220225 NTDZOVNKLIASCG-CDEBVDHCSA-N 434.540 2.451 30 10 IEEE COc1cc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC 445643971 YFFKZKLVJCDSMK-UHFFFAOYSA-N 429.498 2.031 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(F)c1 478158353 XJHKQFBTTBVGER-UHFFFAOYSA-N 430.505 2.220 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 485942891 SUQCEZJEPKKIFA-IEBWSBKVSA-N 437.334 2.480 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 504611662 HZJPHYKPMZUOBA-ZFWWWQNUSA-N 436.925 2.237 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 521107648 AWYKBNNWHDNACT-UHFFFAOYSA-N 445.497 2.444 30 10 IEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCN(c2ccccc2)C1=O 540467600 CPZNDMMYSJUULX-PKTZIBPZSA-N 449.530 2.272 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)n1 544878678 MCJOYTXKKJBOFM-HXUWFJFHSA-N 433.512 2.210 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 554157552 QGKIHUFVPXOXDZ-HXUWFJFHSA-N 442.541 2.138 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1-c1ccccc1C 555377026 GPXXROXYOMFKHR-UHFFFAOYSA-N 445.544 2.245 30 10 IEEE Cc1ncc(S(=O)(=O)N2[C@@H](C(=O)O)CS[C@H]2c2ccc(F)cc2F)cc1C#N 569418259 JSECSXSVAIQQBT-CVEARBPZSA-N 425.438 2.429 30 10 IEEE C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 583926245 FUHABXVGTISBFY-OAHLLOKOSA-N 442.342 2.446 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)OC(=O)c3ccc(-n4cnnn4)c(C)c3)cc21 586268851 MDTIEAVTYXDDIN-OAHLLOKOSA-N 447.451 2.310 30 10 IEEE Cc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC[C@H]2CCOC2)c1 586863963 GHGWZGCDQFCAKK-KRWDZBQOSA-N 425.460 2.354 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccccc1C#N 604001307 KQDWHKXJOLBYPJ-UHFFFAOYSA-N 448.935 2.452 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)c1 612193449 KENSYFOFRJFDAN-QGZVFWFLSA-N 426.538 2.216 30 10 IEEE C=CCOc1c(Br)cc(CN(C)CCN2CCCS2(=O)=O)cc1OC 678299079 ZKWSXIWHHJKXKF-UHFFFAOYSA-N 433.368 2.490 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 680517549 NGFFQPUXINFNDZ-UHFFFAOYSA-N 447.539 2.062 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1Cc1ccccc1 728557668 PIJPFUBHJWNBGB-UHFFFAOYSA-N 427.464 2.310 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732648556 VTONSGISOZZABQ-NRFANRHFSA-N 444.601 2.409 30 10 IEEE C#CCCNC(=O)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 733672816 BUCRRMJFOBSGNO-SFHVURJKSA-N 443.500 2.321 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1 741712819 XSOMILNWCAOTAC-PXNSSMCTSA-N 431.583 2.473 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744571404 LGXMQRHWSCUFSY-LBPRGKRZSA-N 430.417 2.158 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)CC1 747737221 ONSOPUKCLJWMLR-UHFFFAOYSA-N 447.461 2.433 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(OCCS(C)(=O)=O)c3)cc2C1=O 751146225 QKTBKPHIXAXHML-UHFFFAOYSA-N 428.466 2.144 30 10 IEEE C#CCN(C(=O)c1cc(Br)nn1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 755308767 PGGVPOKVWWNFNK-HNNXBMFYSA-N 436.331 2.206 30 10 IEEE Cc1ccnc(C2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 756253893 WJPFGMMWEIYZEY-HNNXBMFYSA-N 427.530 2.008 30 10 IEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCS(=O)(=O)C(C)(C)C2)c1=S 756886733 OXRWVUQRHYAGLA-UHFFFAOYSA-N 427.640 2.095 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(-c2csc(C)n2)cc1)c1cc[nH]n1 770819996 PMYVNPSXSHTSBB-UHFFFAOYSA-N 427.486 2.442 30 10 IEEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(C)cc(Br)c2)c1=O 772279111 PQTHOWHPFUMBQN-UHFFFAOYSA-N 449.370 2.355 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2c[nH]cc2-c2cnn(C)c2)c1 778516212 RAJUFZBQWNMPEB-LYBHJNIJSA-N 426.502 2.480 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)n1 788958656 ZWTBYTRNRKQTTD-UHFFFAOYSA-N 425.533 2.352 30 10 IEEE Cn1ncc(-c2csc(=NCC(F)(F)F)n2N=Cc2cc(Br)nn2C)n1 789992747 ZNSCFZYGJVCKPF-UHFFFAOYSA-N 449.260 2.186 30 10 IEEE C=CC[C@]1(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790772635 OSBODHTVTJVIHS-AUSIDOKSSA-N 437.581 2.282 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 792662052 QRNVLLNFSHETBK-WTKLMOFPSA-N 434.495 2.359 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 800772391 BPSMAFCYWYSZAJ-OALUTQOASA-N 427.505 2.275 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802603319 JXHAFSCQPIODJW-GAJHUEQPSA-N 442.516 2.458 30 10 IEEE C[C@H](NC(=O)CNC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(F)cc1 803922337 ITAOACXSNVJBET-AWEZNQCLSA-N 441.434 2.405 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@H]1CCCO1 812263587 ATEGJFFYBXFJEQ-LJQANCHMSA-N 443.573 2.368 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1-c1ccccc1C#N 917797442 FFGJKZGEJJVQBY-UHFFFAOYSA-N 433.836 2.359 30 10 IEEE Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1134701691 JIAPUILIISBFIH-GASCZTMLSA-N 446.529 2.431 30 10 IEEE C#CCN1CCC(C(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)CC1 1136954569 VGODYYLQMYYJPH-SFHVURJKSA-N 431.964 2.432 30 10 IEEE COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1141457151 OWVCOVCWEAYLPJ-OAQYLSRUSA-N 430.457 2.080 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3ccnc4ccccc34)CC2)cc1S(=O)(=O)NCC#N 1157612523 GUDPZCWFHRBKIK-UHFFFAOYSA-N 449.536 2.308 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NN2C(=O)C(=O)/C=C/c1ccc(F)cc1 1159963478 ONAKGSZJDXJHMM-RMKNXTFCSA-N 431.464 2.441 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1193812043 NVJFZEBYQQULMQ-OAHLLOKOSA-N 436.555 2.088 30 10 IEEE CN1CCCC[C@@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1=O 1196727887 NRUBKUWKRYPWSW-LAUBAEHRSA-N 441.576 2.299 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)C(=O)OC 1211664519 MKJDCXLYACAJPF-ZDUSSCGKSA-N 426.716 2.266 30 10 IEEE Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)ncc1C#N 1265876830 OESDGTXWWZEUDX-UHFFFAOYSA-N 442.317 2.421 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1286436166 BHFSAPYYROWNKH-UHFFFAOYSA-N 431.342 2.267 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2(O)CCCC2)n1 1286470852 DBMYPSPSRSJEMU-UHFFFAOYSA-N 435.532 2.128 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1286763248 VQCQOBMNNBPVGG-LJQANCHMSA-N 442.564 2.063 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCOC1 1286765245 DFFYFQYGIZGQDY-KRWDZBQOSA-N 434.562 2.414 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)cc1OC 1286786606 VHKMUFRYJRKCDU-SFHVURJKSA-N 429.521 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286817954 RDKJOCDZIXUOJI-INIZCTEOSA-N 447.609 2.126 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1287420646 UGSVBIQEFCWTDQ-CYBMUJFWSA-N 449.356 2.173 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1288524284 BDKYXGIRMPXVDS-LIRRHRJNSA-N 433.472 2.071 30 10 IEEE C#CCN(CC(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)C(=O)OC(C)(C)C 1294331562 CQQIZAJHKCOIKX-UHFFFAOYSA-N 442.560 2.202 30 10 IEEE CCCNC(=O)Cn1c(CC)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1294907173 GSTQGJUAOJGAOZ-UHFFFAOYSA-N 432.532 2.113 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300500728 CNPWRMOLNQCDCS-GHTZIAJQSA-N 448.614 2.372 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCO[C@H](C)C1 1300523267 ZKZJSNZHCZYUNY-HXUWFJFHSA-N 449.555 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNC(=O)C(C)C 1300569141 CVSCMTFSXLKOLK-UHFFFAOYSA-N 435.528 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOCC(F)F)CC1 1300727330 XDEGPRLYWJRUNA-UHFFFAOYSA-N 449.477 2.256 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C 1301368224 ZFFZLLMTXVERDG-SFTDATJTSA-N 430.597 2.113 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(C(C)(C)C)CC1 1301588452 ZPVZRUVGCYFZDP-UHFFFAOYSA-N 446.621 2.175 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1301845895 CBZIGTQBVMSFBQ-UHFFFAOYSA-N 438.532 2.139 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1301980341 AZUSATBBNDCWMM-ZACQAIPSSA-N 448.568 2.186 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1COCCO1 1302117097 DNTMNXCKUPVAOH-WLRLJWMZSA-N 441.532 2.161 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1302790035 WMGGHBMFKZSBRY-NZQKXSOJSA-N 441.532 2.395 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)CCCN2C 1303804936 WFVLZFGHIJCFIN-HZPDHXFCSA-N 445.593 2.057 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1313236236 KUMVQYXFPSRVLA-WGSAOQKQSA-N 447.580 2.178 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)C(C)(C)C 1316288238 WKWZEUHLLMPYDA-ROUUACIJSA-N 432.569 2.294 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C[C@H]1OC 1316332859 GVAIELSQCODJIV-SLFFLAALSA-N 425.489 2.271 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCCCO)C[C@H]1c1ccccc1 1316538999 UCIVKIFCRJYSLA-CEXWTWQISA-N 440.573 2.088 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358964102 UAVWAWQIKJBSCH-NRFANRHFSA-N 443.617 2.213 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1359022511 CKLAIXDXWAWTNS-LJQANCHMSA-N 447.543 2.356 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCOC[C@H]2CCCO2)CC1 1359036668 DTLNMENKHQLYET-OAQYLSRUSA-N 441.551 2.349 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1359057925 MOVNCQMEICRYTF-UHFFFAOYSA-N 427.574 2.300 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1359070950 YRIBMLFHCSXWTF-GHTZIAJQSA-N 433.578 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](COC)C1 1359089690 MSFVDLWSBQRSNI-NEWSRXKRSA-N 435.569 2.029 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2F)CC1 1359173780 OARSYAAJXFAMHP-CQSZACIVSA-N 437.541 2.487 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359188253 JXGHUNXARLOUCP-KRWDZBQOSA-N 449.621 2.278 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCN(C)C1 1359257004 WZPVSFRTQIPOFT-VWLOTQADSA-N 443.555 2.395 30 10 IEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1359378387 MWNLTWMYPNXZKX-UHFFFAOYSA-N 448.474 2.069 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)[C@H](C)C1 1359386917 RBNMKXWRFOUZNK-RDTXWAMCSA-N 430.459 2.298 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCn2cncn2)CCOC1 1360323473 DUTVBEXFYKLUNN-JOCHJYFZSA-N 436.520 2.118 30 10 IEEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)cn1 1360970983 TZZUIENSCUPRBV-UHFFFAOYSA-N 441.557 2.073 30 10 IEEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C1CCOCC1 1437881184 ZEHHIQYFXXGAJZ-GOSISDBHSA-N 432.498 2.124 30 10 IEEE COCCN(CC1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1438324344 JXGSZSWTUUGOOK-GOSISDBHSA-N 432.952 2.381 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3cccc(C(=O)OC)c3C2)s1 1452192569 QNLKXBUHKWYBQU-UHFFFAOYSA-N 434.539 2.126 30 10 IEEE C#CC1(F)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)C1 1455276522 RTXHAXPCMCOILG-LLVKDONJSA-N 435.340 2.238 30 10 IEEE C#CCN(Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)C1CCCCC1 1459394243 VFMKSLXRDBIYES-UHFFFAOYSA-N 431.514 2.255 30 10 IEEE COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1463486942 BCNSKEHRVNKBCF-AAEUAGOBSA-N 443.909 2.164 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1 1470982446 HIHNTUQUBXDFIR-UHFFFAOYSA-N 433.512 2.400 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CCNS(=O)(=O)c1ccc3c(c1)CCCC3)C2 1472224484 BVOLGUWGPGLVPV-UHFFFAOYSA-N 444.582 2.334 30 10 IEEE CN(C)CCOCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503402414 GKDVHSNUUDQILW-UHFFFAOYSA-N 441.555 2.146 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1503519600 TYXQDMLLNZBRKS-UHFFFAOYSA-N 439.430 2.270 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCn1c(O)nc2ccccc21 1505057249 PKNQZXWABPVUQU-BXWFABGCSA-N 439.520 2.496 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(CC)CC 1507528922 PGONQJIGQORGAD-IRXDYDNUSA-N 431.610 2.426 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1507544743 BMYIIHILQHOAMH-LBPRGKRZSA-N 446.360 2.171 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507625693 KVMAWBCPZCDUCI-FCHUYYIVSA-N 441.601 2.124 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507625804 LFBLFFNFRYFVKG-SFHVURJKSA-N 446.573 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 1507796615 PWFHQRIMMNPZBK-IERDGZPVSA-N 441.532 2.270 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1507999004 KKEIAOBJLVYKGH-UXHICEINSA-N 441.557 2.281 30 10 IEEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1508057963 QFIDRDMRSVOMNP-SFHVURJKSA-N 426.496 2.087 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1508078800 JGAONLMQEWSOKT-IBGZPJMESA-N 436.560 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(OC)CC1 1508078984 MARVUQXFQCTUDW-QFIPXVFZSA-N 427.505 2.371 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1508104141 IPNGVIYVZQDHAW-LAUBAEHRSA-N 445.520 2.235 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCOC2)C1 1508119399 ZOMKEWYUVGEOHP-FDDCHVKYSA-N 444.532 2.285 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508134976 BRLHQTQPMXWXFW-WOJBJXKFSA-N 441.557 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)cc1F 1508142156 QVWXGQPHVPINNJ-HNNXBMFYSA-N 426.489 2.297 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1508142330 SRGYVVHPQDYNIX-UHFFFAOYSA-N 449.621 2.375 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1 1509436626 SIZJWWGVQDRROQ-ZWKOTPCHSA-N 445.955 2.079 30 10 IEEE Cc1cccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1510623712 QQDUAGMJRKDSLN-HNNXBMFYSA-N 428.518 2.346 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 1515162160 KYOCFYXSOXNYCC-KRWDZBQOSA-N 428.533 2.370 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1516685548 LZQBCKGSGPMBHD-HSZRJFAPSA-N 438.532 2.262 30 10 IEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1)S(C)(=O)=O 1517072109 ZAZRMCYHIWVPHO-UHFFFAOYSA-N 440.529 2.318 30 10 IEEE CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1518575486 GCZPYXOFTJTLEI-PKOBYXMFSA-N 429.546 2.113 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1518832541 GPVFXCRJPZKVDC-GOSISDBHSA-N 449.515 2.352 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCOC2)CCO1 1521120960 DOVBZZYBPDQKMH-FUHWJXTLSA-N 444.923 2.017 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc4c3CCOC4)CC2)cc1 1533961411 YMCHDNYJWLWICL-UHFFFAOYSA-N 439.537 2.348 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1539015445 QFUSFGCEYOXEAM-WMZOPIPTSA-N 443.573 2.425 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539079615 XLMFHZCKWFFFEJ-UHFFFAOYSA-N 445.589 2.441 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1539224855 JCSNIHBSDAHFSW-KRWDZBQOSA-N 434.512 2.378 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539516715 AWCBMBJPSQXIMY-LAUBAEHRSA-N 430.578 2.024 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1539632728 TUDWJRORSJEZFX-VQHPVUNQSA-N 426.608 2.103 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539790265 FYVUKNXUNUCLRX-INIZCTEOSA-N 437.895 2.101 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCN1CCCS1(=O)=O 1540062513 QRJFVOKHAAYCRK-UHFFFAOYSA-N 440.367 2.365 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1)C1CC1 1540099070 QOOOYYDLKDRFDY-UHFFFAOYSA-N 427.534 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1540868342 AYWRPVXNBPNSMD-UHFFFAOYSA-N 435.532 2.304 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540880384 FJEWLUHXQZQAEH-VQTJNVASSA-N 441.532 2.084 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccccc2F)C1 1540893011 VFPSVZPBFNKREH-SJORKVTESA-N 429.496 2.132 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCCS(=O)(=O)c1ccccc1 1541801657 AITIDDJOLHTLFU-INIZCTEOSA-N 425.518 2.337 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCS(C)(=O)=O)C1 1541989148 HDVPFHLVNPCBKY-HXUWFJFHSA-N 431.518 2.239 30 10 IEEE Cc1csc([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)n1 1542845509 GQOWKVBXCFIINV-GXTWGEPZSA-N 437.595 2.197 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)c2ncccc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367840 QXUSSOJJBUOXLJ-KRWDZBQOSA-N 431.418 2.358 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCOCC(F)F)c1 1555988268 VQZUNFIVHFDCNH-IBGZPJMESA-N 446.502 2.399 30 10 IEEE N#C[C@H](CCc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1556080738 RNMNQUYIDAHHMN-KRWDZBQOSA-N 429.498 2.124 30 10 IEEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccccc1C#N 1559627643 FCHKNKMKBKATTG-QFIPXVFZSA-N 438.528 2.095 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cncc4nc(C(F)(F)F)[nH]c34)C2=O)cc1 1568505175 OOFGWCQDTDERRS-CQSZACIVSA-N 428.374 2.379 30 10 IEEE C#Cc1cccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)c1 1570327498 PTLQUJNEQCQBAG-LJQANCHMSA-N 432.929 2.171 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OCC 1587285224 BLOGYWAEUGITFW-KRWDZBQOSA-N 437.905 2.108 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1587638691 GXORDIHDUUPGDM-NVXWUHKLSA-N 429.525 2.010 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1nc(C2CC2)cs1)[C@H]1CCS(=O)(=O)C1 1588060106 ZOQJMNWIJMSJOI-INIZCTEOSA-N 433.603 2.486 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1588848914 QOTNKJMUTJPTCG-UHFFFAOYSA-N 436.539 2.158 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589544053 DYQXISSLOHTHIH-SIKLNZKXSA-N 446.640 2.495 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)C)nc2)CC1 1594013263 DMSAQCZBMBPLPY-INIZCTEOSA-N 434.566 2.275 30 10 IEEE C=CCCCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1594559358 JFLLTDJOTOGDCE-AWEZNQCLSA-N 439.504 2.356 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCN(C)C1 1595166782 XPSQVRKJPRGBSL-JOCHJYFZSA-N 441.605 2.460 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1595523179 QYXSMHNZOJDEJG-KRWDZBQOSA-N 435.532 2.299 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)cc1 1595614032 MGKGSALRNRTJKT-HXUWFJFHSA-N 425.533 2.454 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(=O)N(C)C)C1 1595729099 JCWVLCWMFMYFOR-FXAWDEMLSA-N 441.532 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1C 1595799396 ZQSSAJXCEOCSQJ-QGZVFWFLSA-N 445.593 2.042 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1597338302 VHNZUIQIONCKPT-JKSUJKDBSA-N 444.502 2.249 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1610027458 HJZVBLFWOUTRFX-GOSISDBHSA-N 432.532 2.144 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ncccc2F)CCOC1 1610449244 XJDRHAJKZHEDQR-SFTDATJTSA-N 448.474 2.374 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1611059988 OVBXUADLPUPISH-KRWDZBQOSA-N 426.521 2.211 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCSC1 1616957223 AGPQWFZLVJDYEI-RXVVDRJESA-N 429.546 2.132 30 10 IEEE CN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1618200566 GMWRKQCNXSNVGU-SFHVURJKSA-N 429.546 2.400 30 10 IEEE COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1623605793 BBEGXMDUSOJFHR-UHFFFAOYSA-N 446.334 2.203 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)CC1 1623968859 CLNHHGUZJLZHGG-KURKYZTESA-N 449.548 2.486 30 10 IEEE COc1cc2nc(C(=O)N(C)CCOCc3ccc(C#N)cc3)c(=O)n(C)c2cc1OC 1625510390 GRJXAPBEEXULOY-UHFFFAOYSA-N 436.468 2.111 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1625892513 FEKRRNBWIFMNII-ZDUSSCGKSA-N 433.933 2.120 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C#CC(C)(C)C)c1 1627759483 JSLZPMXHFLLOKR-UHFFFAOYSA-N 434.606 2.457 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 1631330512 DVYYXCNBUUEXBU-KRWDZBQOSA-N 428.470 2.221 30 10 IEEE C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)cn1 1632365615 XVBBTYIBYLFCRF-GJZGRUSLSA-N 425.407 2.056 30 10 IEEE COc1cccc2c1OCCC[C@H]2NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1633420560 SQBGFXNVPNVXFV-MRXNPFEDSA-N 429.498 2.154 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc2[nH]cc(I)c2c1)C(=O)OC 1634063387 JEKGURLSYQSWNU-CQSZACIVSA-N 428.226 2.247 30 10 IEEE Cc1ccc(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)cc1B1OC(C)(C)C(C)(C)O1 1636680037 WTBVEZKWVFYAFO-PSWAGMNNSA-N 429.366 2.281 30 10 IEEE Cn1nccc1[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1639618606 AWPWAOXQTSSEOF-PVEYFEBJSA-N 429.521 2.107 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 1639961824 IKAKSWNPMBSVAO-GOSISDBHSA-N 433.555 2.139 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)n1 1639992394 WQVMZLGYFIRMOH-JOCHJYFZSA-N 429.521 2.411 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F 1640081531 AGRDJQUMZZNKEL-WBMJQRKESA-N 433.452 2.231 30 10 IEEE CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854265 CJPVURSOZASQRL-OEXZBZRSSA-N 431.514 2.148 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CC3(CCOCC3)CO2)C1 1643804685 XLEDMHQJEMXFIQ-KRWDZBQOSA-N 434.334 2.459 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1643910905 QBYPUJVBBARJSP-AWEZNQCLSA-N 430.448 2.014 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1652675393 HWPJQCGFPXKIGM-SFHVURJKSA-N 427.501 2.359 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2c(cnn2-c2cccc(Br)c2)c1=O 1656767294 UNTIUMSOTKYUAD-IBGZPJMESA-N 443.305 2.399 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1663696755 CSMNCZCGRZGONU-UHFFFAOYSA-N 429.361 2.097 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 1665600286 TUNPDJQZVNHQDR-NVXWUHKLSA-N 437.562 2.384 30 10 IEEE Cc1ccc([C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)N2CCOCC2)o1 1666148530 GKLWVPGAYUUZGW-GOSISDBHSA-N 429.546 2.426 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)c3ccccc3CC#N)C2=O)c1 1667811473 FNLQWPCISUFGHO-LJQANCHMSA-N 429.498 2.196 30 10 IEEE C=C(C)CN1CCC(NC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 1668488068 CMSHICRGLSSMOC-UHFFFAOYSA-N 427.593 2.224 30 10 IEEE CC(=O)NCc1ccc(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 1682635583 HPOIAIIYQPEMMJ-UHFFFAOYSA-N 445.527 2.394 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1683060917 HEIDDZXYMWCNTL-JOCHJYFZSA-N 432.572 2.465 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O)c1ccc(Br)cc1 1686919676 KCFCGKYUDYTWMZ-YZVOILCLSA-N 433.306 2.286 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2occc2C)c1 1689873325 FCBZEIHRJZFZLH-UHFFFAOYSA-N 446.511 2.406 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1689964816 YQFWEAZXHKLKAM-HTAPYJJXSA-N 433.553 2.268 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1689997280 ZHPCKHMTJHCHCO-OAHLLOKOSA-N 437.591 2.070 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCCC 1690005106 RYSPBXVYQBIRFK-UHFFFAOYSA-N 432.297 2.446 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccc(C)c(F)c1 1690083019 XGTBGNCTONTHIM-UHFFFAOYSA-N 437.523 2.477 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCc2cccc(C(N)=O)c2)CC1 1690130306 DTLIFWASMFUHTL-UHFFFAOYSA-N 434.569 2.027 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1690673477 WOAMEABMCLHBDR-IBGZPJMESA-N 447.967 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(CC(F)(F)F)CC1 1690715065 BWGBNKCSQSNPRA-HNNXBMFYSA-N 437.532 2.467 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690733936 QVMNZLGINLXTOJ-KRWDZBQOSA-N 443.577 2.149 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)C1 1690903980 CMCOZDUFBKVAOQ-AUSIDOKSSA-N 434.500 2.422 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1695894418 BIWYHEMXUOSAIK-AUSIDOKSSA-N 439.612 2.082 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1696058728 AFZQQFGMYJUDSO-IFMALSPDSA-N 430.553 2.106 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C1 1697038983 CKOBYWZKKAVPHS-HXOBKFHXSA-N 439.516 2.279 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(C(F)(F)F)c1 1698171293 POYQQKGTVDNGFC-HIFRSBDPSA-N 440.426 2.193 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1coc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1705570206 LHLFSSASZYYDMA-SFHVURJKSA-N 425.514 2.171 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC=CO1 1705574386 CDOBFPOIWLMQHD-GOSISDBHSA-N 438.557 2.312 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705580339 IOBYTDHSADIIRL-QFIPXVFZSA-N 441.539 2.099 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1705584801 YAAKTOROFZOMCU-UHFFFAOYSA-N 426.480 2.342 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnccn2)CC1 1705660734 DXEZEIHJMXPILC-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)COC)CC1 1705700042 OBVTVDDOTNMFOQ-LMNJBCLMSA-N 447.580 2.232 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705821333 SCMFGADNLMXUML-MRXNPFEDSA-N 443.621 2.389 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1705894854 MYLHKUVZRBLREB-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)C1 1705916974 PIFBKOXMNONQQG-YWZLYKJASA-N 434.566 2.174 30 10 IEEE CC(C)=CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706207523 HLZKTQQEMXTSFS-QGZVFWFLSA-N 432.536 2.412 30 10 IEEE CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cc(CO)nn1 1706309778 FBHGBFYDLPFFJB-UHFFFAOYSA-N 449.563 2.164 30 10 IEEE CC(C)CCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1706477642 FALOKGOEZNUMKZ-APWZRJJASA-N 427.546 2.075 30 10 IEEE CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1708778988 PZIOWVREPFJGQC-HKUYNNGSSA-N 425.493 2.456 30 10 IEEE CCCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCN(C)C2)cc1OC 1709851812 CJSOZALAJMGURO-HXOBKFHXSA-N 442.564 2.405 30 10 IEEE CCOC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710386236 DNQOUVINVAXZPF-OAHLLOKOSA-N 444.536 2.352 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1711560903 CJKMYTFXYGJFBI-ICSRJNTNSA-N 437.548 2.098 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1711761029 FUJBNJJEWFQJNI-HXUWFJFHSA-N 432.550 2.023 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccccc2Cl)CC1 1722429817 SRWTVWMSTLUJLL-UHFFFAOYSA-N 442.951 2.002 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1722869953 SBPNXGMPRALWHJ-SJORKVTESA-N 448.568 2.487 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1723770631 BPVDDFMHLDMAAH-XOBRGWDASA-N 431.566 2.138 30 10 IEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1730733592 CPUBYABIGOLZST-KRWDZBQOSA-N 430.578 2.249 30 10 IEEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1730885593 BLXKUYYPBNEORP-QFIPXVFZSA-N 442.495 2.030 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1740532898 MPBSNYKZFNZDEM-STQMWFEESA-N 445.467 2.293 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740620751 RGFCOMZLROZQET-MJGOQNOKSA-N 444.557 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCc2ccccc2C1 1740653432 MLEBCWDOHZTLKN-QFIPXVFZSA-N 430.556 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1740657735 WZYRWUYVAKBKKY-NFBKMPQASA-N 449.555 2.222 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1740713435 LJRSDDUPVBAJEJ-OAHLLOKOSA-N 430.530 2.328 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740794319 WYCIQCHDXDUJBB-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740868773 SEYZCBDQEHJRNH-LJQANCHMSA-N 439.564 2.440 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1740900684 WIFMAYWQIIUHPH-QUCCMNQESA-N 445.589 2.353 30 10 IEEE CC[C@@H](C)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1/N=CC=CC1=O 1743578845 IDMJMHQDQRTRIZ-MEUCICPISA-N 446.552 2.153 30 10 IEEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1747581390 HEWRRZJCMYNTDD-XLIONFOSSA-N 434.610 2.185 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)NC)CC1 1748762402 MTBBMCDTGYURIH-UHFFFAOYSA-N 426.521 2.131 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCn2ccnc21 1748831571 PZDLRECAVFZYCB-LJQANCHMSA-N 448.552 2.196 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749456926 NIMDXEDJBINMPM-QGZVFWFLSA-N 426.583 2.168 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(CC(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1749682011 MWVNRVXCBAGRRL-UHFFFAOYSA-N 444.530 2.437 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(CCN(C)C)CC2)C1 1749719441 VLTHBFNJRXAYOK-LEWJYISDSA-N 432.613 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](OCC)C1 1749727643 ZJMZHPYAKBNTHT-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccccc2Br)CCO1 1750386020 FYFWHXKLTYEGJP-CQSZACIVSA-N 426.278 2.275 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1750388686 RGCBJTUAMZJJNB-KRWDZBQOSA-N 426.477 2.437 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)C1 1751281207 DNCUFNKQURSIDL-HSZRJFAPSA-N 438.532 2.104 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1760125500 ZROIQQHUKOSJLY-DLBZAZTESA-N 432.546 2.291 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760137430 JUWNISLWSLMYBP-MSOLQXFVSA-N 437.610 2.287 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1760187818 XVKOWSJPTMZVNV-GOSISDBHSA-N 443.573 2.232 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC(=O)N1 1760244296 PXNQVCJPPHFEGX-MRXNPFEDSA-N 432.322 2.072 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)c(F)c1 1760251375 YVOCLNVWFZFWDE-UHFFFAOYSA-N 439.539 2.479 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1760398348 VEJFZKSCDHBSFL-REWPJTCUSA-N 433.597 2.179 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)C1 1761545837 JMRNYBPDEOBOON-IIBYNOLFSA-N 444.561 2.205 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1763272833 BUAYAIUUMAXDLM-HJPURHCSSA-N 442.539 2.453 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1765106720 BMYUVLPYQLIYKR-SFHVURJKSA-N 434.548 2.297 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1770788710 OYMUSNLLOXXECN-FXAWDEMLSA-N 442.539 2.491 30 10 IEEE Cn1nc(C(F)(F)F)c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1Cl 1852128420 BZACKAKLJUZMDD-UHFFFAOYSA-N 442.829 2.338 30 10 IEEE Cc1cccc(N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2nccc(N(C)C)c2C#N)c1 1852248538 XARQVFXWAQOTBZ-UHFFFAOYSA-N 439.541 2.416 30 10 IEEE N#CCCN1CCN(C(=O)c2nc3ccc(I)cn3c2Cl)CC1 1853339150 ZYIFXXYTNLOEMU-UHFFFAOYSA-N 443.676 2.264 30 10 IEEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1 1860555578 LHOJYMHYZWIJBF-UHFFFAOYSA-N 425.404 2.440 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 1861301808 CAMIQIBJINXJPW-JOCHJYFZSA-N 449.482 2.385 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868743393 JKVMSJOCNJQHPZ-FQEVSTJZSA-N 449.573 2.294 30 10 IEEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN(CCO)Cc1ccccc1 1870524300 IJQSLCTURIFSKF-LJQANCHMSA-N 427.545 2.322 30 10 IEEE C=CCn1c(C(=O)NCc2ccncc2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873594524 VJHWVZQBWFBTEN-UHFFFAOYSA-N 434.500 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)[C@@H]2CCO[C@H]2C1(C)C 1886248636 JQEKPQACQGDXKT-HLFMIMNKSA-N 430.457 2.449 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC#CCN3CCCCCC3)C2)cc1 1890670454 WTIAGUFJRPMCJM-OAQYLSRUSA-N 431.602 2.391 30 10 IEEE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(C#N)c5)CC4)ncnc32)cc1 1891080967 QBNXTVVAAUGTMD-UHFFFAOYSA-N 440.467 2.053 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2N)CCN1Cc1ccccc1 1914862965 SJGWGIBWULISIA-MRXNPFEDSA-N 435.347 2.430 30 10 IEEE C=CCC1(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1991911260 MXCGTQPPOAMUGF-NRFANRHFSA-N 425.526 2.040 30 10 IEEE C=CCC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2011919997 LJKHMHPRLAUJFD-CVEARBPZSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)c2ncc(Br)cc2C#N)CC1 2174810563 NVAVWYRZJZCHAM-UHFFFAOYSA-N 438.326 2.407 30 10 IEEE CC[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402108 SDYIWKWRQWZRMH-LBPRGKRZSA-N 440.375 2.139 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630727 OEMBXJUFAHAHNV-HUUCEWRRSA-N 434.346 2.275 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)n1 2255635212 FQLYACZIGBXGNH-AWEZNQCLSA-N 436.362 2.093 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255697379 HDCMJXZQYVFGJQ-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2255697464 HYEIRXRBXSPWCR-INIZCTEOSA-N 433.358 2.454 30 10 IEEE CC1(C)OB(c2sccc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255797870 MPAYSXSVZOMERE-SFHVURJKSA-N 441.406 2.251 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1)C(=O)OC(C)(C)C 2255827111 VCTFSWGUMAQNHB-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C 2255830521 HMLYROTUEJZWGG-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C#CCNC(=O)OC(C)(C)C 2256623258 QDKMIYDZZZBAIZ-AWEZNQCLSA-N 449.382 2.490 30 10 IEEE CC(C)(C)OC(=O)NCC1(CO)CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2266752056 XCGDPIFFKHBYJF-UHFFFAOYSA-N 447.385 2.484 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130921 UWZAAGJCMINASF-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267136001 HSDRCPQVPZBDHY-UHFFFAOYSA-N 444.341 2.101 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267183850 QDCQGWPZIJVWBD-SFHVURJKSA-N 444.312 2.170 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2267513226 UONYQJQACBNWPC-ZQDZILKHSA-N 446.357 2.131 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267546802 BMSTUXDNPSFZDA-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268709023 IUMZFODUMKVGCB-QAPCUYQASA-N 448.369 2.439 30 10 IEEE C#CC1(N(C)C)CN(C(=O)c2ccc(Br)cc2I)C1 2274584164 XUOCCSPBEMIXFA-UHFFFAOYSA-N 433.087 2.443 30 10 IEEE NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1O 2327540875 GLXXDLYHXPNLKF-UHFFFAOYSA-N 433.877 2.381 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2336903354 PJDSSJUXEDDSQG-AWEZNQCLSA-N 448.373 2.445 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 24379687 QXZJIUGBDMWEKV-OAQYLSRUSA-N 444.532 2.212 30 10 IEEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)cc1 96573422 ZPPFEPDHPQTHNL-FDDCHVKYSA-N 429.517 2.172 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccc2F)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103117195 OIDRTGZOXLVDPE-VZCCSQPZSA-N 430.388 2.165 30 10 IEEE Cc1cc(C)nc(N/C(=N/CCc2cnc[nH]2)NC(=O)/C=C\c2ccc3c(c2)OCO3)n1 209856576 DQRRMFRNIPWDHA-XQRVVYSFSA-N 433.472 2.385 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 409491184 LNXLLTMMHRVBEO-AWEZNQCLSA-N 435.468 2.291 30 10 IEEE COc1ccc(-c2nc(CN3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)cs2)cc1 409580717 OFUQPVLQHSRPGL-HNNXBMFYSA-N 437.529 2.187 30 10 IEEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2cc(F)ccc21 431372844 YAGCDOZDXXWYCJ-UHFFFAOYSA-N 426.473 2.336 30 10 IEEE COc1cccc2c1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 431672765 IIMNKHMUIPPUAQ-IBGZPJMESA-N 425.510 2.130 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCn2nnnc2Cc2ccc(Br)cc2)c1 432744455 IYELCSBTDOHPET-UHFFFAOYSA-N 432.303 2.372 30 10 IEEE CCc1c(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 441530814 AOZWFYWCXDSDJD-UHFFFAOYSA-N 447.373 2.217 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C#N)cc3)c2)C[C@@H](C)O1 460269804 SYOWWHVNGZHRBR-IAGOWNOFSA-N 443.525 2.165 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@H](C)C1 461846572 BSKHKJUZCGERJE-UTKZUKDTSA-N 438.532 2.355 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn(C4CCCCC4)n3)CC2)cc1 470731267 DGDFDBHKUNIABG-UHFFFAOYSA-N 427.530 2.407 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCc2c(Cl)cccc2C1 474658556 NSIFPHOKUYXFBV-HNNXBMFYSA-N 446.960 2.053 30 10 IEEE CC(C)CCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 483759397 KNWNRYICOHZXIU-UHFFFAOYSA-N 430.534 2.339 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)C2=O)cc1 490234523 ANGOLCJNYGUNSL-VXKWHMMOSA-N 440.507 2.388 30 10 IEEE Cc1ccc2c(c1)C(=O)N(CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)C2=O 523358404 CJWRRBNVPCJLFU-SFHVURJKSA-N 434.477 2.003 30 10 IEEE Cc1cc(C)c2c(NC(=O)[C@H](C)n3cnc(C#N)n3)c(C(=O)N3CCOCC3)sc2n1 537307236 NRJXWDKGSHTWMN-ZDUSSCGKSA-N 439.501 2.048 30 10 IEEE C=CCOc1cccnc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncc(OC)cn2)cc1 540455003 YUQNNPIJDQIIFK-UHFFFAOYSA-N 441.469 2.498 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 540967036 JPWVJJJGFAHRBK-AEFFLSMTSA-N 429.912 2.063 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCOC2)cc1 550036003 HLCXQCCQAXYJAP-IBGZPJMESA-N 440.511 2.447 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C2CCCCC2)CC1)C(C)C 556206990 WEUPEOAKOAIXMA-NRFANRHFSA-N 432.609 2.052 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)CC2)c1C#N 556987345 XVZXYIHYNLUZRY-CTNGQTDRSA-N 434.544 2.091 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2c(Br)cncc2Br)CC1 570612152 OLEJXUWGDQUYCT-UHFFFAOYSA-N 432.160 2.026 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1-c1ccc(F)cc1 603826224 UOOFHKYGGXXZEI-UHFFFAOYSA-N 447.413 2.306 30 10 IEEE COc1ccc(Cn2nccc2NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC)c1 611130265 RGOLBXSEWSEACE-UHFFFAOYSA-N 437.431 2.214 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCCO2)c1=O 612193330 HMFMUFLMYVVOBU-INIZCTEOSA-N 426.538 2.216 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4cc(C#N)nc5ccccc45)CC3)C2=O)n(C)n1 613684129 BXIVHWDNVDRFNT-NRFANRHFSA-N 429.528 2.466 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC1 735866016 WUGWWHCXUVVIFO-UHFFFAOYSA-N 437.997 2.345 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCN(c3nccn3C)CC2)cc1OC 746223403 CVNOHLLCEVUKBL-UHFFFAOYSA-N 429.521 2.307 30 10 IEEE CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 749081919 FHLUHHHPMWWZCM-UGJGZBLJSA-N 439.560 2.365 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2sccc2S(=O)(=O)C(F)F)CCCCC1 760409768 SNRHXYVHORAETO-UHFFFAOYSA-N 426.488 2.278 30 10 IEEE C=C[C@@H](CC)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 776104395 OOWDKRGKAMBFFO-INIZCTEOSA-N 428.938 2.461 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780983767 PTJBUPDAXYMVOB-WOJBJXKFSA-N 427.888 2.304 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)CC1 782542070 QARFJJXSFCALMO-UHFFFAOYSA-N 439.419 2.177 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)nnn1C(C)C 797267401 PCDHPMYXTXQBSZ-UHFFFAOYSA-N 430.259 2.059 30 10 IEEE C[C@@H](CC(=O)NCCN1CC=C(C(C)(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 803122582 SZYMDAPRAZDTQH-INIZCTEOSA-N 432.590 2.298 30 10 IEEE CN(C)S(=O)(=O)c1ccc2nc(COC(=O)Cc3cccc(OCC#N)c3)[nH]c2c1 810572616 DCKLIUPCDAZHGU-UHFFFAOYSA-N 428.470 2.001 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 856677415 QNJNIPVLLULYQY-ZSEKCTLFSA-N 429.546 2.450 30 10 IEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 917925839 RGKZTVGKTQSHRL-HXUWFJFHSA-N 446.550 2.123 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCO[C@H]3CCCC[C@@H]3C)cc2C1=O 918812613 QPZNLEHOMDFICH-KXBFYZLASA-N 428.485 2.337 30 10 IEEE COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 920395012 JOVRQJDQPMYNDP-UHFFFAOYSA-N 440.565 2.463 30 10 IEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccncc3)n2)c1OC 1083965271 KTBFJPZZXKHQFS-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE N#Cc1cc(NC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)ccc1N1CCC(O)CC1 1137499035 PMLUQKQSHZCRDQ-CTNGQTDRSA-N 449.429 2.269 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)c2c(Cl)cccc2Cl)cc1 1143603815 FHDHYQZQDYFOIJ-UHFFFAOYSA-N 426.281 2.142 30 10 IEEE CCO[C@H](CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)CN(C)C 1154442544 LKUIRCGSZNPSRQ-QUCCMNQESA-N 430.549 2.475 30 10 IEEE CN1CCN(CCC(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1154541999 XMQCEWKQLAHWQR-IQJRZOLZSA-N 447.624 2.306 30 10 IEEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCN(c3ccc(C#N)cc3)CC2)CC1 1175443145 BSHAAXNAWPSQTO-UHFFFAOYSA-N 425.577 2.081 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC(=O)N3CCCCc4ccccc43)C2=O)cc1 1227631566 HIEWXBLLKIZGDS-NRFANRHFSA-N 445.523 2.328 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)C2 1235394588 NXMUQYRZTQYHEV-MRXNPFEDSA-N 436.896 2.096 30 10 IEEE CN1CCCC[C@@H](CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1251377863 WFACBYABCZKXHS-INIZCTEOSA-N 427.528 2.429 30 10 IEEE COc1ccc(NC(=O)c2cc(C)c(C#N)c(C)c2)cc1S(=O)(=O)N1CCOCC1 1264096469 SQKMEGWWSXGHCF-UHFFFAOYSA-N 429.498 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC(F)F 1286279951 YRIDVWHYYIKYDF-KGLIPLIRSA-N 441.504 2.190 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1286384221 QFYWWYCFEKGFIO-MJGOQNOKSA-N 441.582 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286412349 HXNUMICSIMCMIZ-UHFFFAOYSA-N 444.583 2.432 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCC(=O)NC 1286556723 FCORNIYBRHOXPP-GCJKJVERSA-N 427.549 2.431 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286611312 IPFQRHAZTPOLSG-UHFFFAOYSA-N 425.599 2.389 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286713200 VDRWVPXUNWRQDJ-UHFFFAOYSA-N 441.580 2.487 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286721850 JRWNVZHRYWZILU-SZMVWBNQSA-N 443.552 2.325 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1287423002 DEYQDJRNRPIMKY-OLZOCXBDSA-N 449.392 2.208 30 10 IEEE CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1C 1289762487 PAYUYOGFLYBPFB-YKTARERQSA-N 435.546 2.317 30 10 IEEE C[C@@H](Sc1nc(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cs1)C(N)=O 1292821942 BDTSXIGOAIJKJO-GFCCVEGCSA-N 432.527 2.370 30 10 IEEE CC/C=C/Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1293707421 RDXSULATRBDRTP-SGUAIBKKSA-N 432.525 2.281 30 10 IEEE C=CC1(CC(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1295695362 FUWAPCARDANJPB-UHFFFAOYSA-N 443.610 2.366 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 1296900524 KYHVBKYVJIVIPL-HNNXBMFYSA-N 430.461 2.159 30 10 IEEE CCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1297582600 PDLZSQBARJUOND-UHFFFAOYSA-N 438.561 2.264 30 10 IEEE CN(Cc1ccco1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298383720 NSNPFDLVJIGYOR-QZQOTICOSA-N 433.472 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCC1 1300564040 RMWYMTJQUVVASC-UHFFFAOYSA-N 439.585 2.297 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1300587337 SFOTVJRJCVKXQD-LJQANCHMSA-N 440.569 2.165 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCCC)CC1 1300709955 MNNWCFOFVQNPJJ-UHFFFAOYSA-N 426.590 2.160 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1(C)C 1300804203 OCRXGDPSYMTALP-AEFFLSMTSA-N 429.546 2.113 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1300889862 RSSRJRRVZLXGCX-VIZSFHNOSA-N 440.592 2.402 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301249374 SJTIMANHEWHIKJ-HXUWFJFHSA-N 440.548 2.069 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1)C1CC1 1301327731 VUIBTDUDZSOLIS-SFHVURJKSA-N 443.573 2.073 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1301514301 IWKSMTMXGDOTAL-QHCPKHFHSA-N 436.516 2.038 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1OCCC1(C)C 1301799548 GUYIQCHBEXJVFW-MRXNPFEDSA-N 427.509 2.107 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1302721778 HIURQXRIJWCXSY-ZJYNUGOYSA-N 441.561 2.444 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCSCCCO)c1 1302988213 XCXMOVLMTFSKMJ-SJORKVTESA-N 429.502 2.046 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1304359762 MQTJJACRDJTZLE-IKGGRYGDSA-N 445.582 2.203 30 10 IEEE C=CC[C@H](NC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21)C(=O)OCC 1324193326 RLMOLNNSULOBJE-KEDMDAKRSA-N 448.519 2.090 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)c1 1356232757 ASGBHWLRPBZILS-LJQANCHMSA-N 428.286 2.363 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 1358870268 JHAPGWGZPLRVCW-AWEZNQCLSA-N 438.454 2.453 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)N1CCN(CC)CC1 1358898540 VYCONZNTQJHBMU-PMACEKPBSA-N 440.592 2.350 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1358915469 DUOKHJKAXFIWII-OYRHEFFESA-N 427.597 2.489 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1358933980 LBSICAKOUZCOGA-UHFFFAOYSA-N 430.516 2.202 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358964425 YYXWPYZOTMCNQA-LJQANCHMSA-N 430.574 2.355 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(CC)C(=O)C1 1359091778 RTKDQMZKXYHATQ-GGPKGHCWSA-N 435.569 2.042 30 10 IEEE C=CCCOCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1359229800 VLZWGLWUSRIXCM-QAPCUYQASA-N 434.459 2.290 30 10 IEEE C=CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 1359251582 PEBPTMXQZGPWRC-MRXNPFEDSA-N 432.546 2.419 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 1359299451 FUZVSCHAZMJLDR-OAQYLSRUSA-N 438.576 2.105 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 1359320204 NKWFYCUCUVWFKK-VQTJNVASSA-N 432.613 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCCOCC1 1359334542 JKADTAUZCWEZOQ-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1360331357 UBVYVZCDBHSRIC-MBSDFSHPSA-N 444.580 2.363 30 10 IEEE CC(C)OCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1360379432 WTMVSGAUSNIPEG-UHFFFAOYSA-N 449.563 2.477 30 10 IEEE C[C@@]1(c2cccc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2)NC(=O)NC1=O 1452692651 LWERTSSBIMJBNU-DEOSSOPVSA-N 431.496 2.007 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 1458024463 HCQNLBITAJQMLK-HNNXBMFYSA-N 430.555 2.188 30 10 IEEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1464926671 QVGOJHHCASPUFY-UFVMTTLYSA-N 440.500 2.164 30 10 IEEE C#CC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CC1 1470365386 ACVXWMFEZXEKHO-UHFFFAOYSA-N 430.551 2.095 30 10 IEEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(CCC#N)CC1)C2 1471237001 BIEGQKUEIRHLIJ-GOSISDBHSA-N 444.532 2.428 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)s1 1492765556 KMECAPYRHSHXQV-QGZVFWFLSA-N 436.545 2.311 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1CCOCC1 1495530038 RKYFMQSXGBRDBK-INIZCTEOSA-N 439.564 2.437 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC1CC1 1503646839 UAPKRUVGOZDKFO-UHFFFAOYSA-N 446.353 2.312 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507630007 XZPJBPQUAYHZSB-SFHVURJKSA-N 425.514 2.111 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1507715837 IWVCAADZYJKXAT-LJQANCHMSA-N 444.967 2.213 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507745519 ZNWHOLRBROHQDY-DOMZBBRYSA-N 449.378 2.117 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507843343 LVKOPEYDIWSLJR-UHFFFAOYSA-N 425.599 2.389 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507849462 XCTFBXASYNYKFX-SIKLNZKXSA-N 435.569 2.016 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(CC(C)C)c2C)CC1 1507882092 REBCLIDQKKZLFW-MRXNPFEDSA-N 435.598 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1508148520 IRHXPQPFVQOZAE-MBOZVWFJSA-N 426.583 2.013 30 10 IEEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1509002391 NYEZOPXGFMOJFN-LJQANCHMSA-N 437.548 2.104 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)c1 1516763097 WGSHWFIHCULRFK-NRFANRHFSA-N 435.480 2.102 30 10 IEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1516988996 AKOJBNZUPCSXJV-XMSQKQJNSA-N 443.502 2.284 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1519296177 OIVMELRFLRNIEB-QTEQDKRBSA-N 448.612 2.489 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)cc1OC 1519450622 QWMLERDVMZTECA-WDYCEAGBSA-N 447.923 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCc2c(OCC(N)=O)cccc21 1522314614 IFXBSOGUDILHGZ-INIZCTEOSA-N 430.505 2.417 30 10 IEEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccc(C(F)(F)F)cc1 1537014745 MMLDCSJGZMQSKC-KBXCAEBGSA-N 438.431 2.210 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@H](C)CCC 1539003299 NOENQSUHCGDLRB-SJORKVTESA-N 449.559 2.202 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1539053560 VEDKWAYKRMTKTB-HKUYNNGSSA-N 431.562 2.270 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 1539269463 QUGMWLOZEACEMW-TZIWHRDSSA-N 431.558 2.280 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cnn(CCOC)c2)CC1 1539438052 LTSSZNAVBDRHEN-UHFFFAOYSA-N 433.560 2.154 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCC(=O)NC 1539517048 HJWGPXIQBHCLKD-GOSISDBHSA-N 429.546 2.119 30 10 IEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539717568 HMUCXDOGPOUMFF-OAQYLSRUSA-N 432.546 2.457 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1540142869 POFUKPGABSNRKL-QGZVFWFLSA-N 437.529 2.026 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540195816 IRHXFGQCXTVJFO-MRXNPFEDSA-N 428.459 2.175 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1540197954 ALIXJKHOWBOYNI-SFHVURJKSA-N 434.562 2.263 30 10 IEEE CC(C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541371493 ZZYRIYPWMIJZAS-QTIQAUKSSA-N 426.477 2.099 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(OC)CCOC1 1545544115 PXSZOBXBSDLCEQ-VGSWGCGISA-N 425.537 2.190 30 10 IEEE CCN(CCn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 1547578131 AUDKADYJJDQIIC-UHFFFAOYSA-N 440.552 2.437 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N(C)C)nc1 1555738777 VVAKRPBXJAZCJY-ICSRJNTNSA-N 425.537 2.251 30 10 IEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 1556655545 HBKRVPUUAIBVAN-LJAQVGFWSA-N 435.571 2.469 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(c4nc(C)cc(O)n4)CC3)n[nH]2)c1C 1558501953 XJPWFOIFLIDNBX-UHFFFAOYSA-N 436.520 2.279 30 10 IEEE C=CCC[C@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OCC 1569183610 AERIVFGCRKLUIF-AWEZNQCLSA-N 444.269 2.035 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 1570831550 PFMRYOWHSABKJH-KRWDZBQOSA-N 432.571 2.062 30 10 IEEE CSc1nc(O)c(C(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)cc1C#N 1587652596 CDIGRTFJQIRNGF-ZDUSSCGKSA-N 434.518 2.279 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1587813301 LODBPLDNBWNIFE-HNNXBMFYSA-N 446.353 2.016 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2C)CCOCC1 1587988639 AIFMUTCKTZZWFM-IBGZPJMESA-N 442.585 2.306 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1c(I)cnn1C 1588079960 DXHGESPUAQAEMF-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CC2)CC1 1588733757 ZPCNKYPEGSEPRB-UHFFFAOYSA-N 426.952 2.417 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1588930120 NXSVENWTSWHGJF-LEWJYISDSA-N 437.544 2.136 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(=O)NC 1594681196 ZGTFFZVAEVZSJQ-UHFFFAOYSA-N 433.582 2.085 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1610269799 FZIVWIDCFDNBNA-HOTGVXAUSA-N 448.618 2.475 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C2/C(=O)c3ccccc3C(O)=C2N2CCN(C)CC2)cc1 1615741020 ALCNBCPGLYHWEN-FCDQGJHFSA-N 425.510 2.495 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1)[C@H]1CCOC1 1617780473 OANXVPOXGWYHJQ-IBGZPJMESA-N 438.532 2.356 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)NCC#CCO)cc2)cc1C 1617902394 ZICUBLRRSDHTOY-SFHVURJKSA-N 430.526 2.008 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1 1618302396 HRVGSXOJZUXXQD-UHFFFAOYSA-N 446.559 2.482 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1618360236 BKMPEIFNXBZVAR-LJQANCHMSA-N 429.546 2.257 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1619912218 VRDKIXJILWEDJD-OAHLLOKOSA-N 430.513 2.015 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)C1 1620053255 IDUHQWQULXRTPQ-IBGZPJMESA-N 438.488 2.241 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(CC(C)C)C1 1620110745 AODQEAXEIWUYJH-TUFLPTIASA-N 446.596 2.099 30 10 IEEE COc1cc(CN2CCN(C(=O)C(OC)OC)CC2)ccc1OCc1cccc(C#N)c1 1620315306 IVIOAQZMGCABAF-UHFFFAOYSA-N 439.512 2.409 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)Nc1c(F)cc(I)cc1F 1625609404 HCSFPWXLQFDOLA-UHFFFAOYSA-N 430.214 2.292 30 10 IEEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC2CCN(CC#N)CC2)c1 1629081662 CLOLLPIPVHZLSX-FQEVSTJZSA-N 430.549 2.483 30 10 IEEE C[C@](CO)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1631187299 OSQXCTUNTNGIAA-JOCHJYFZSA-N 445.541 2.015 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1631627871 GMHQUZPKRWHCOT-UARSRXHTSA-N 449.470 2.171 30 10 IEEE C#CCOc1ccc(CNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1636916013 OZNBWULDCVRMIJ-LJQANCHMSA-N 429.517 2.221 30 10 IEEE Cc1ccc(C(=O)NCCOc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NCC#N 1641034800 UXEJZORZBQVZOM-UHFFFAOYSA-N 425.869 2.398 30 10 IEEE CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 1648320653 DMBCZTMSFIEPGF-HNNXBMFYSA-N 427.452 2.495 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1649537842 GHYGVUYCRFHWPG-FDDCHVKYSA-N 425.533 2.047 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1650972166 LIBFYVXZNCVSRT-WBVHZDCISA-N 432.380 2.486 30 10 IEEE CC1(C)C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1652997372 DFZHFEXWVFZHJJ-OAHLLOKOSA-N 440.363 2.229 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](CO)[C@@H]2CCCOC2)cc1 1654728771 CWUXMVUQDICPLO-DYESRHJHSA-N 426.517 2.290 30 10 IEEE C#CCCCCNC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1670480771 XQVWWLROJQUOCB-RBUKOAKNSA-N 447.580 2.367 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCCN(S(=O)(=O)c3ccc(F)cc3)CC1)C2 1687386876 VGUBCFPBCXFGHB-HXUWFJFHSA-N 442.516 2.271 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1687791331 SXYZCVZOHSKQJW-LJQANCHMSA-N 436.516 2.294 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1689863115 NARRYIFXRUVHRA-FQEVSTJZSA-N 438.576 2.096 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689996269 GEUPNRYRZHTZDR-VDGAXYAQSA-N 444.605 2.203 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2c(C)coc2C)n1 1690109427 QUIMHAXHYTWKIU-UHFFFAOYSA-N 448.531 2.419 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690313097 LBZSHXMJBNBJJW-UHFFFAOYSA-N 427.615 2.368 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690507841 YIZZKCJYHZRLKL-GOSISDBHSA-N 441.532 2.402 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)C(C)(C)C 1697190784 BYPOLBWNIAZMQF-IBGZPJMESA-N 440.548 2.492 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccc(C)cc1 1698135518 PLWYSIIWFJSGAL-VGSWGCGISA-N 444.511 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705493957 QZUBDNCZWANAOI-WMZOPIPTSA-N 431.562 2.276 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC(=O)NC1CCCCC1 1705625891 ARICSYAIYLWPRK-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705663584 MRXDXUPBOZFOBV-UHFFFAOYSA-N 439.585 2.249 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1 1705677877 GINXVJIZMGBJCA-MIZPHKNDSA-N 426.517 2.398 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705740519 NYEZLCYAFWSFJM-INIZCTEOSA-N 431.468 2.230 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(F)CCC2)CC1 1705782012 MJODBPGGVXLWLS-QGZVFWFLSA-N 441.573 2.296 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1705884335 LZWHXGHSOJDGGY-MRXNPFEDSA-N 438.525 2.015 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cn[nH]c2)C1 1705919645 HVDWKWUIKOTKRT-GOSISDBHSA-N 442.545 2.096 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1705929762 XBTHKOCUADKWHK-WZONZLPQSA-N 443.548 2.299 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OCC)C1 1705931562 TZQPXERAZINCBO-GOSISDBHSA-N 449.533 2.459 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2CCOC2)CC1 1705936098 JXAHTSWFRDMARV-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1709211230 KJNAIWQACDJUNM-YLIUKNOZSA-N 435.532 2.415 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1709938327 MVCFOOOIWZQEOS-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1711690720 APSWBSDMGCEDJQ-VZCXRCSSSA-N 438.488 2.087 30 10 IEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1722366108 POPGKFUSDBISMD-IBGZPJMESA-N 438.557 2.110 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1nncn1CC 1722424433 MWBYSVVYBYPQDB-UHFFFAOYSA-N 444.337 2.453 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1NC(=O)CC1(C)C 1722426912 HWYFYCHIJFXKTO-LJQANCHMSA-N 425.533 2.166 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F 1722447371 LMMNTSWYAKQMDL-AWEZNQCLSA-N 427.452 2.444 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558049 BTRHVLYXWFWADX-OXQOHEQNSA-N 438.960 2.112 30 10 IEEE C=CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722740063 OWEDGDFZKBKYIK-LEWJYISDSA-N 438.594 2.234 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccn2)CC1 1722743378 XVMNZLGSYXRVHN-UHFFFAOYSA-N 439.593 2.176 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1724058191 XPXGYQBURFCVIM-IIBYNOLFSA-N 430.484 2.336 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)Br 1729033857 OSJXYYUTGNYONY-UHFFFAOYSA-N 443.252 2.337 30 10 IEEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1729337919 GUMHXNHDMWAKJY-XMSQKQJNSA-N 428.512 2.213 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1729588625 ATMPMKOSFHDRGA-IRXDYDNUSA-N 441.536 2.412 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CCO1 1730585444 BCDUNVHUNKKJGN-FPOVZHCZSA-N 441.532 2.112 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc2c(c1)OCCO2 1730844668 SSVPXVHKYCOTRQ-OPAMFIHVSA-N 445.495 2.458 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1CCO[C@@H](C)C1 1730871208 UOLNFATVLSOLHE-YOUFYPILSA-N 446.596 2.384 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCSC2)C1 1731179475 CHOHVHQNPYRYJP-HOTGVXAUSA-N 441.330 2.346 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1=CCCOC1 1740678334 JVIIUHOAPHOUGZ-UHFFFAOYSA-N 443.935 2.294 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCCNC(C)=O 1740682031 ICZKACDGYPMAJR-UHFFFAOYSA-N 434.338 2.320 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](OCc2ccccc2)C1 1740962297 YPAIYHWQDNFJTA-NRFANRHFSA-N 432.528 2.362 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)[C@@H](C)C1 1741055707 PMFOPHBEVKGPHU-LAUBAEHRSA-N 436.516 2.131 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-c2ccsc2)nc1 1741679069 OINMXSNSOXGOMT-QGZVFWFLSA-N 437.529 2.317 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(CC(C)C)c2C)n1 1742712389 CXKSRUSQWKBCPE-HXUWFJFHSA-N 437.552 2.078 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCOC)c1 1748690435 RISKSJVMKSVIKV-UHFFFAOYSA-N 447.499 2.018 30 10 IEEE C#CCCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748731111 UPHBFBFZBSFJIM-QHCPKHFHSA-N 439.564 2.239 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1748979168 XEBRBCKBEJMTSY-LEWJYISDSA-N 434.588 2.490 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)no1 1749591830 ZTFLFXUAXBZPJW-INIZCTEOSA-N 431.518 2.353 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C1CC1 1749732341 WAOJAENIRFVHEE-SFHVURJKSA-N 447.536 2.138 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCc1ccco1 1750441394 CZBCAOVKRWXCNR-UHFFFAOYSA-N 435.488 2.020 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2COCCO2)CCOC1 1751010990 ZDSISIVMNQTWAF-NZQKXSOJSA-N 441.532 2.242 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCSCC(F)(F)F 1751930346 NBSVPKLNCCCSTJ-LBPRGKRZSA-N 426.472 2.259 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@H](CO)O1 1760178566 SBWCDANJGIFXEP-DLBZAZTESA-N 435.322 2.229 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760189565 PXTJGZAANMOIGO-ZWKOTPCHSA-N 431.562 2.028 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1)C1CC1 1760471300 RMSQMVMMSCKQFP-UHFFFAOYSA-N 432.330 2.278 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCOCC1 1760491540 KSJSTDGEPXVCQW-UHFFFAOYSA-N 436.520 2.031 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760492612 ZQBAXPHQPQDOKN-GOSISDBHSA-N 426.546 2.277 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760527015 LCHOTUDXBISMHO-IBGZPJMESA-N 449.559 2.102 30 10 IEEE Cc1coc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1762207432 ZWOPDZCRBANLIY-UHFFFAOYSA-N 428.518 2.060 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1763298063 YYCVOAIYQKNWEP-VQTJNVASSA-N 438.532 2.117 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1765591492 XOYHUUSAJJPVMI-LJQANCHMSA-N 440.548 2.221 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(C)(C)C2)CC1 1768463897 AYLWKANXMNKCGP-UHFFFAOYSA-N 435.576 2.463 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1770088546 MLDLXMGKYYYRFL-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC2(F)F)C1 1770726875 AXMNBPVTYNCSLF-JJRVBVJISA-N 431.484 2.448 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1772566801 WVABQHAOZAIZSJ-IBGZPJMESA-N 429.521 2.476 30 10 IEEE CCOc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(CCC#N)CC4)c3CO2)cc1Cl 1848518469 JNTVREKNAFYIFM-IBGZPJMESA-N 444.923 2.273 30 10 IEEE CC(C)CN1C(=O)COC[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 1848885244 XPNCIAJENXGBRK-QAPCUYQASA-N 430.574 2.252 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1850804613 NQOTYIDEGBPGMA-KRWDZBQOSA-N 431.480 2.189 30 10 IEEE Cc1c(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)nnn1Cc1cccc(F)c1 1850868988 NZUYPYMTRTUASC-UHFFFAOYSA-N 438.507 2.388 30 10 IEEE N#Cc1ccc(C(=O)Nc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]2)cc1F 1851639313 GBELEDZMHFHHFY-UHFFFAOYSA-N 449.446 2.119 30 10 IEEE N#CCCn1nc2c(c1NC(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)CCC2 1851788007 UTMDRCGSLCFTAQ-HXUWFJFHSA-N 447.605 2.293 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1852288713 MYRJHFATADJHRY-HXUWFJFHSA-N 442.516 2.199 30 10 IEEE Cc1[nH]nc2c1[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2C(=O)[C@@H]1CN2CCN1CC2 1852809604 XZVSSOUWZIXRMW-RXVVDRJESA-N 446.555 2.235 30 10 IEEE C[C@]12CCC(=O)N1CCCN2C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1855820090 UNIMHIBBUYVMTI-OPAMFIHVSA-N 428.920 2.439 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862596418 NGBOHDXNCDCQMU-FQEVSTJZSA-N 440.452 2.211 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(=O)O)cc1 1862629039 MKTDQOBCRSSSHH-BBATYDOGSA-N 425.393 2.073 30 10 IEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1870149312 JJPDLKSNSOCBJF-KRWDZBQOSA-N 443.467 2.085 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC 1870157143 OENZFUQUVRHOGB-UHFFFAOYSA-N 437.416 2.383 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(O)c1 1874338859 ZWFHMMZRYBSOKS-BRUSPLQXSA-N 444.561 2.209 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874447896 OIRFQWDOCQHTTH-VYXQJKENSA-N 434.478 2.244 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cccn(Cc3ccccn3)c2=O)CC1 1890394497 YUVYHTMJJWAOTC-UHFFFAOYSA-N 428.496 2.299 30 10 IEEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccc(C5(C#N)CC5)cc4)C3)n2)n1 1890725034 NKRWTDNEJICPTB-UHFFFAOYSA-N 428.496 2.373 30 10 IEEE CO[C@@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@H]1OC 2199571541 UKWDLGXDVAMNNB-HUUCEWRRSA-N 427.148 2.383 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229116427 NFUXAGISKFCRDQ-ZBFHGGJFSA-N 425.323 2.385 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2243435163 LTVXCOCWNIZLJK-DZGCQCFKSA-N 430.376 2.349 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C1 2247559372 VWAXBGQZUGZLAG-UHFFFAOYSA-N 431.455 2.210 30 10 IEEE Cc1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247834256 SQCFPDDRJGILMK-UHFFFAOYSA-N 432.273 2.106 30 10 IEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254744841 UQPOMOYIUHBLNA-CJNGLKHVSA-N 436.314 2.214 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255886545 KICGUZCLSGWEHU-INIZCTEOSA-N 431.342 2.462 30 10 IEEE Cc1nc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@H]2C)ncc1B1OC(C)(C)C(C)(C)O1 2256621397 UMHGIJBQUPOUHA-GTJPDFRWSA-N 432.330 2.326 30 10 IEEE Cc1c(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999219 LLALCITYMKEIIG-HUUCEWRRSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2267145129 BFAJKAZZCHUYOO-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267153078 VKXMKMAKPVGZBL-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)n1 2267179786 VBMROYOYGOTASF-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267264920 YATZCZGCPNBRDX-RYQLBKOJSA-N 443.353 2.366 30 10 IEEE Cn1cc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267529840 QNSDYRTWBAEZBU-UHFFFAOYSA-N 438.381 2.361 30 10 IEEE CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccc(Br)cc1 2278789290 GXTNFHXXAFSVHY-LPHOPBHVSA-N 427.339 2.420 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2298374015 SPYLQQPMDGAPIG-UBHSHLNASA-N 435.355 2.180 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300306498 XGMHJANSMYBHTF-BTTYYORXSA-N 435.355 2.037 30 10 IEEE CC1(C)OB(c2sncc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2300333863 LCVYLYOFSPURKH-KSFYIVLOSA-N 425.363 2.447 30 10 IEEE Cc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1C 2328785156 LGXATZCIGAIGPK-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE COC(=O)c1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc1 2329825887 DIPCVWLSSQKQMV-UHFFFAOYSA-N 427.461 2.254 30 10 IEEE COc1[nH]c(=NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339784950 KPGVPRAHRHERCK-YQQAZPJKSA-N 445.369 2.479 30 10 IEEE C[C@H](C#CC(=O)N[C@@H](Cc1ccccc1Br)C(=O)O)NC(=O)OC(C)(C)C 2366840830 BTEMBSGTPCXABA-DOMZBBRYSA-N 439.306 2.478 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2F)C1 111219080 QOKMPZLAIVHMJE-DYVFJYSZSA-N 438.456 2.351 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2N2CCCN(C(C)=O)CC2)C1=O 439393717 AXOQFXWHUCBVRZ-HXUWFJFHSA-N 431.512 2.135 30 10 IEEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Oc1ccc(F)cc1 466192834 FCRKVTDSOKHISC-INIZCTEOSA-N 446.504 2.181 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCCNS(=O)(=O)c3cccs3)CC2)cc1 474543906 WUDVCCGMGGLOEA-UHFFFAOYSA-N 434.543 2.151 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cc(F)ccc3F)CC2)cc1 475275710 NAIJORBWNUPYBT-UHFFFAOYSA-N 434.468 2.095 30 10 IEEE CCc1nc(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)n[nH]1 484712306 KGZUOAPRDHQZMC-KRWDZBQOSA-N 427.578 2.017 30 10 IEEE CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 500492878 AFAMDRNZVNJIRW-MRXNPFEDSA-N 430.496 2.368 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 508843287 BVYWQXDJRGLLLV-UHFFFAOYSA-N 426.565 2.367 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@@H]1CCCO1 514647775 CKWQIAZAIAXKDO-IBGZPJMESA-N 439.581 2.125 30 10 IEEE CNS(=O)(=O)c1cccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 526091679 XFZKQWWMTXTJSE-UHFFFAOYSA-N 429.502 2.373 30 10 IEEE Cc1ccc(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526685232 PFFWTRQPMVBFAY-UHFFFAOYSA-N 448.548 2.354 30 10 IEEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 539025229 LQPBPFDTEZRMAV-IBGZPJMESA-N 430.530 2.328 30 10 IEEE COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545463328 YXRADJPOLOGMRS-UHFFFAOYSA-N 449.540 2.292 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 557746681 MJNGECZMVXSDHX-FQEVSTJZSA-N 435.503 2.222 30 10 IEEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 558996931 YBERRFKFEORQNJ-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)Cc1ccco1 569173305 ODAZMTBNMBGOTO-GOSISDBHSA-N 447.517 2.190 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)N[C@H](C)c4cccc(C#N)c4)CC3)C2=O)n(C)n1 611562841 QMZJBOQCGRFKSB-NQIIRXRSSA-N 449.559 2.184 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 726538991 BTJUTXSOIGGVNZ-UHFFFAOYSA-N 426.473 2.124 30 10 IEEE Cc1noc(CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)n1 729562391 BXKGXEUFNHWGNR-ULJHMMPZSA-N 434.522 2.335 30 10 IEEE COC(=O)C1=C(C(C)=O)[C@H](c2cnn3ccccc23)NC(=O)N1CCCCCC(=O)O 731433921 LCLYZXQGUUYJJS-SFHVURJKSA-N 428.445 2.062 30 10 IEEE CS(=O)(=O)c1ccc(F)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 731578400 HTBLGHMYVLFTIY-QGZVFWFLSA-N 433.486 2.255 30 10 IEEE COc1ccc([C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N2CCCCC2)cc1 732438667 ANHCKOGKPSPTSQ-XQDODVJUSA-N 441.532 2.048 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cnn(CCC)c2)c1=O 735068895 IFWFCLYPEXNFOS-UHFFFAOYSA-N 434.521 2.097 30 10 IEEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccccc3OCC(F)(F)F)c2=O)CC1 742143909 NFXZUUKVTPCBEH-UHFFFAOYSA-N 448.470 2.144 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)c2)s1 742693810 GZCABMVNOYTJRU-DGQTTZFYSA-N 435.505 2.455 30 10 IEEE COc1ccc(CNC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 746743431 XMNWMYBBKYXIRH-UHFFFAOYSA-N 431.537 2.309 30 10 IEEE COc1ccc(CNC(=O)CSCC(=O)NCc2ccc(OC)c(C#N)c2)cc1C#N 747068283 FRZABRBZLLOLOH-UHFFFAOYSA-N 438.509 2.113 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC23CCC(CC2)C3)cn1 756872508 ZBKZVWUAKKHTLO-ASNBIDDJSA-N 446.621 2.483 30 10 IEEE C#CC[C@H](NC(=O)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC)C(=O)O 757360175 NAAOKQCJIWKBRY-SFTDATJTSA-N 436.464 2.133 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCO[C@H]1CCOC1 757373242 WQJXUZDIBVEAQN-HKUYNNGSSA-N 442.541 2.354 30 10 IEEE COc1ccc(C(=O)N2CCC(NC(=O)C#Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 761921082 LALRGEDMQSRLJC-UHFFFAOYSA-N 436.464 2.205 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 766981704 ZYIAKXQYZWRCAN-OAQYLSRUSA-N 427.482 2.067 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c23)CCN1C1CC1 773248720 FDFFRWZNOWXVER-AWEZNQCLSA-N 428.290 2.135 30 10 IEEE COCCCN=c1scc(-c2cnn(C)c2)n1N=Cc1c(Br)cnn1C 781912134 WSQIWZVNZWSOFR-UHFFFAOYSA-N 438.355 2.266 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(F)c1 790837140 ZRGFOOZNOUVPAL-KRWDZBQOSA-N 430.505 2.019 30 10 IEEE C=CC[C@]1(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 792539661 ULGKCPITNYFNPZ-HXUWFJFHSA-N 429.583 2.215 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NS(=O)(=O)c3cnn(CC4CC4)c3)CC2)c(F)c1 802790449 IAEDJUAIKLMZLF-UHFFFAOYSA-N 431.493 2.025 30 10 IEEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1ccc(OC)c(C#N)c1 806738081 ZBWYIKZGSPFWTM-UHFFFAOYSA-N 433.486 2.317 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 811042476 NDXFPSAJGDFPIA-CFVMTHIKSA-N 426.489 2.067 30 10 IEEE C=CCn1c(-c2cccs2)nn(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1=S 811791548 WFKJOADDGXKIAZ-UHFFFAOYSA-N 442.636 2.100 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3cc(C)ccc3C)c2=O)cc2c1OCCO2 839012737 XWCNXYAGCJILLM-UHFFFAOYSA-N 445.500 2.322 30 10 IEEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1 1084084725 MPWDKAJCZOMPAF-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)c3ccc(OC)c(OC)c3)n[nH]2)cn1 1084347851 WLNZUKSAYVBEIU-UHFFFAOYSA-N 445.505 2.086 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)N3CCC[C@H](C)C3)n[nH]2)c([N+](=O)[O-])cc1O 1084562663 GIIHYHCODBWGDS-NSHDSACASA-N 449.493 2.224 30 10 IEEE Cc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084610958 YMSFEEFPBHKFTG-UHFFFAOYSA-N 428.522 2.096 30 10 IEEE C=CCN(C(=O)c1cc(Br)cnc1Br)[C@H]1CCS(=O)(=O)C1 1125954336 UKAVOOIPAZBUNK-JTQLQIEISA-N 438.141 2.422 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)cc1 1136697066 FYHURHXPWICQOE-UHFFFAOYSA-N 435.524 2.285 30 10 IEEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 1136861859 OTJWZGXJJQXMCP-UHFFFAOYSA-N 425.554 2.255 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)C1 1154958373 DVMGDPCWJAWTEF-ZWKOTPCHSA-N 430.553 2.068 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@@]2(O)CCS(=O)(=O)C2)cc1OCC 1178730730 GWQBDSKEWIRYQH-KRWDZBQOSA-N 434.352 2.052 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1179605608 VLASGIIDYARRLM-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1197819186 XWBCIQMLSWINRI-AUSIDOKSSA-N 428.533 2.405 30 10 IEEE C#CCN(C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 1256316689 BYTWFKWAPCCNOO-MLNNCEHLSA-N 429.586 2.119 30 10 IEEE CCCCNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1264969299 WIAHCGOHOXTLBO-PBHICJAKSA-N 434.949 2.382 30 10 IEEE C#CC[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1 1280467578 KYHCPUDDPHBHCI-KRWDZBQOSA-N 432.542 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccc(OC)cc1 1286416099 VBQPLJZCRZRYGI-LJQANCHMSA-N 435.528 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCOCC1 1286430759 JEOHNQCFRGPCTM-QHCPKHFHSA-N 433.556 2.125 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1286622391 GMTVFJPORSDCDS-HNNXBMFYSA-N 438.937 2.491 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1286694802 YBPPADCAQSCOCD-UHFFFAOYSA-N 427.509 2.078 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccnc(C)n2)CC1 1286705111 QLDXBGFUPSZJRW-ICSRJNTNSA-N 427.553 2.393 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1286774808 JTHGRMQQRGGUKS-IEBWSBKVSA-N 432.546 2.170 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)COC)CC2)cc1 1286794342 DFVFDBFDQYEYLW-UHFFFAOYSA-N 436.516 2.181 30 10 IEEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1)C(F)(F)F 1288751034 HKMOIKZBLGRDJE-WMLDXEAASA-N 447.465 2.168 30 10 IEEE COCCOCCOc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1Br 1289464256 NCIXWPLGZVFWDC-LBPRGKRZSA-N 438.282 2.154 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 1290694022 AAETVBPAPOGYRQ-IBGZPJMESA-N 429.517 2.286 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1293214261 GSLYVNKLMOENNE-WBVHZDCISA-N 429.521 2.068 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300486784 BEIKXCIDTIZXDI-GOSISDBHSA-N 425.489 2.154 30 10 IEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300488422 DTYPEMUECBSYDW-WMZOPIPTSA-N 439.541 2.155 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300490123 ZXYMLXPDYLNTLS-OAQYLSRUSA-N 446.536 2.081 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1300897367 PZXGKNATJRYVQE-HBFSDRIKSA-N 444.624 2.346 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1300984722 IAFKMELFJLJHDJ-PKOBYXMFSA-N 438.532 2.212 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301152466 ZAFRLGPLGDCYSY-CBGDNZLLSA-N 438.594 2.167 30 10 IEEE Cc1ccccc1-n1nc(C)c2cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)sc21 1301212823 GQDUFEZBZJRKIT-UHFFFAOYSA-N 434.481 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1301593652 RWAAGYIXWMRXNH-IRXDYDNUSA-N 438.623 2.071 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1301612899 QYENNMUNHJXKFC-NVXWUHKLSA-N 438.575 2.270 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301618363 QBCBEWMGMAUGKM-FQEVSTJZSA-N 445.637 2.360 30 10 IEEE COCCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1302129598 DBCAJZVVTYXBNO-UXHICEINSA-N 427.505 2.322 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)CC1 1303011054 AZUFHDSHGRJEBQ-SFHVURJKSA-N 427.553 2.152 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1303627199 FZXKHGDZVNHVMZ-CQSZACIVSA-N 428.497 2.188 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1306499041 NOMASVUNNBNKBC-FQEVSTJZSA-N 437.548 2.228 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1306533413 GWGWKZXNVXVUFT-AOMKIAJQSA-N 435.536 2.201 30 10 IEEE COCCCCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316007956 RKAIXHBEQRPZJL-UHFFFAOYSA-N 449.563 2.397 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCOCC(F)(F)C(F)F)CC1 1359045093 WUQNVOVOKGVVCU-UHFFFAOYSA-N 445.461 2.428 30 10 IEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359342481 YUTFMBAMFGZAEM-UHFFFAOYSA-N 434.610 2.429 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(C#N)o1 1360653623 RDLSAKKXFGDVGE-GFCCVEGCSA-N 449.924 2.086 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1443932689 HZFMAWVUDPXYEH-KIWHVSKTSA-N 427.567 2.053 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC4(CCOCC4)CC[C@@H]3CO)CC2=O)cc1Cl 1456058353 MLCCMECLCMTMQR-FUHWJXTLSA-N 431.920 2.345 30 10 IEEE C#CC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)C1 1456807582 BHZVZDQWXHRTMG-UHFFFAOYSA-N 435.299 2.070 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(C#N)nc(C)c1C 1459196739 ORHXFZLNFXRZCN-UHFFFAOYSA-N 431.518 2.194 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3C[C@@H]4CCCC[C@H](C3)C4=O)CC2)cc1 1464042271 ZSTAVXSSSGGIDB-DFNIBXOVSA-N 429.542 2.177 30 10 IEEE Cc1cccc2nc(CCNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cn12 1469717261 QKJVMHCYQCVZJW-IBGZPJMESA-N 430.468 2.078 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCOCCN(C)C(=O)OC(C)(C)C 1473654668 NULCGYIEHJMFHR-UHFFFAOYSA-N 429.517 2.101 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507635131 SMUHCSQUOPUHFF-UXHICEINSA-N 430.574 2.491 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1507741048 JZPZNAGSHZGNGU-UHFFFAOYSA-N 441.557 2.288 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1507796623 MYOGBVGCFOGYML-MOPGFXCFSA-N 427.530 2.033 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)CC1 1507898013 VOIKRLYQSHEGNE-MRXNPFEDSA-N 445.589 2.412 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1507982652 PIPCGDGBKJFYOZ-AWEZNQCLSA-N 428.518 2.041 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCC(=O)NC 1508073061 LWGUGNZOUAXBLI-CQSZACIVSA-N 430.578 2.006 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)CC[C@@H]1C 1508131680 OWXVAQMGKXBETO-HOTGVXAUSA-N 432.550 2.151 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCCO 1510428243 NILUDTNHNQPSFK-HXUWFJFHSA-N 449.556 2.151 30 10 IEEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCCO1 1512515335 IDGRIIRAZAOHPO-AVRDEDQJSA-N 426.569 2.310 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CC3)nn2C)c1 1525955719 CTOQENDXWLUQTA-BWAHOGKJSA-N 444.561 2.467 30 10 IEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)C(C)(C)C 1532426968 CEQLXDDLZSMABL-UHFFFAOYSA-N 426.535 2.151 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)C)CC1 1539078922 IMCPMDGCCAEKOA-UHFFFAOYSA-N 442.589 2.378 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539210365 DHGLFQVONJEGBW-LJQANCHMSA-N 446.621 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N(C)C 1539301341 OSWOJPIPUPDYIC-QGZVFWFLSA-N 425.533 2.384 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1539344286 ZPXGKJWTJZLRGQ-AWEZNQCLSA-N 438.623 2.345 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1540049325 KYWOOJNVLKPDJA-NRFANRHFSA-N 434.562 2.145 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1540870201 HBAXGLBYUMHVSL-MSOLQXFVSA-N 444.605 2.419 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCOC2)C1 1540882734 NQFCMKIRAOUJLP-WMZHIEFXSA-N 441.532 2.080 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)C1 1540891221 RBIPRWGIOLXBEK-KURKYZTESA-N 430.578 2.375 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1542122542 ZXLKJAWJVHKHCE-UHFFFAOYSA-N 435.303 2.068 30 10 IEEE COCCC(=O)N1CCC(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1545688973 QUDBDBIBTQYVJP-UHFFFAOYSA-N 430.354 2.052 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1555685490 WDKWPXAXNXKNGI-NRFANRHFSA-N 448.527 2.375 30 10 IEEE C#C[C@@H](NC(=O)N(C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C)C1CCOCC1 1565106344 RQADIQBDZSESFD-RBBKRZOGSA-N 431.533 2.233 30 10 IEEE Cc1nc(SCC(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)c(C#N)c(C)c1C 1569043382 FDMVZYSCTYMGBB-KRWDZBQOSA-N 426.546 2.125 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCCN2C(=O)c3ccccc3C2=O)c1 1570561961 QWNHKJHTYNMXFZ-UHFFFAOYSA-N 438.505 2.242 30 10 IEEE C#C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(Br)cc1 1583565994 PHSKFMPECOUKGR-MRXNPFEDSA-N 442.225 2.444 30 10 IEEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1cncc(I)c1 1585827422 KIPBHNQXNDFWRE-UHFFFAOYSA-N 430.209 2.450 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)C(=O)NC)c1 1587689528 KARVLHBHVXHEOK-UHFFFAOYSA-N 433.516 2.102 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2([S@@](C)=O)CC2)c1 1587697007 HDJXQFAVRLBAQD-SSEXGKCCSA-N 425.558 2.198 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1587803790 NODMIEXDJJVHFE-CALCHBBNSA-N 430.553 2.133 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1588040781 QJVXUYJOJDLBNY-KRWDZBQOSA-N 449.964 2.213 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(OC)nc1OC 1588140601 ZCFKAHGUQBLCIL-HXUWFJFHSA-N 445.479 2.324 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC1CCCCCC1 1588233538 KXJVVNWABKYXLF-IBGZPJMESA-N 432.590 2.383 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)CC=C 1588482673 VUWDOELQHVWWPP-UHFFFAOYSA-N 440.504 2.115 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N(C)CC)CC1 1588899480 POYWUJWVNLKBLX-UHFFFAOYSA-N 442.951 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCN2CC)CC1 1588923597 GDKYPMOVPXBYQS-OAQYLSRUSA-N 449.603 2.489 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC[C@@H]1C 1595283179 NLQJCEOCLKEIQX-KRWDZBQOSA-N 429.521 2.033 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1595506618 HGDAUUWNIAAKAV-ZBFHGGJFSA-N 449.939 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1595523096 PMBDDAKFCOEDLF-LJQANCHMSA-N 433.560 2.297 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](Cc2ccccc2)C1 1595608614 VBPIIXKSMSYTLW-URVUXULASA-N 439.560 2.373 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)C1 1595707312 VMVCQOCMWDEXEC-PMACEKPBSA-N 425.581 2.147 30 10 IEEE O=C(CCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCOCC1 1598482915 HFXTZOVAYUYUDH-NXEZZACHSA-N 438.315 2.255 30 10 IEEE Cc1ccc(CSCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1612090848 DPOQMUFHYVDZOK-QZTJIDSGSA-N 426.546 2.200 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCC(=O)N2CCOCC2)cs1 1612402690 MDMSWLHNMIJHPV-UHFFFAOYSA-N 443.577 2.013 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)c1 1623386841 WFROZLJKGFLDRN-UHFFFAOYSA-N 431.602 2.114 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)ccc1F 1624836030 FNNBBXWPEJHIRD-UHFFFAOYSA-N 429.477 2.048 30 10 IEEE C#CCN(CC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)C(=O)OC(C)(C)C 1627756728 WOFDLOITAHVZNL-UHFFFAOYSA-N 443.544 2.215 30 10 IEEE C=CCOc1ccccc1CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1629260301 RHMKBDGNUTXBCR-QGZVFWFLSA-N 438.546 2.292 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2O)CC1 1632624643 VWPGIGWJXDTPKE-UHFFFAOYSA-N 426.904 2.005 30 10 IEEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1639822192 VUQUTMVNSPPEDW-ABXWHYIOSA-N 447.557 2.285 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 1640924416 LHVCDJAYEHOENP-UHFFFAOYSA-N 434.558 2.037 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1CC 1649544766 ZXCBUHDDKRXCNF-UHFFFAOYSA-N 433.520 2.254 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCOC1 1649672827 DRVIBWDNJLDRBE-RTBURBONSA-N 449.353 2.328 30 10 IEEE C=C[C@@H]1OCC[C@H]1NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1654476516 RTRJTIBGKFVFPO-AEFFLSMTSA-N 427.954 2.386 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 1662993496 DQDVIKYDPHFJMZ-UHFFFAOYSA-N 433.755 2.394 30 10 IEEE CC(C)C[C@H](NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)N1CCOCC1 1682244384 XDIFTWQIACWYLF-FQEVSTJZSA-N 438.532 2.031 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 1683762500 BLPUCOPKCFBLAD-WOJBJXKFSA-N 438.494 2.476 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)C1 1684083516 WBFSTTXAALYYHF-UXHICEINSA-N 427.549 2.483 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(c2ccccc2)CCN(C)CC1 1684761978 WREFUMIFZWABPJ-LJQANCHMSA-N 433.560 2.232 30 10 IEEE C#CCN(C(=O)NCc1nc(N(C)C)n[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1685041654 CWNGOTFCMHMKEG-CQSZACIVSA-N 433.310 2.302 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1689830695 BTVAZWGKTDMVFS-MBSDFSHPSA-N 435.532 2.406 30 10 IEEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1689948538 YUKBEDDECCFIKV-IBGZPJMESA-N 447.630 2.268 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CN(CC(C)C)CCO1 1689955552 MFZVBPLLXCPHMZ-IBGZPJMESA-N 427.549 2.389 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689989459 FUWRQUBVLLLORR-HPGBDJQBSA-N 440.635 2.110 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1689998555 PREPKMPXMTYQNM-BHIYHBOVSA-N 446.573 2.465 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCC1 1690060642 DHJFTOFRHUBRQX-UHFFFAOYSA-N 443.621 2.490 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690497260 LJFXIUWYGXADIZ-QZTJIDSGSA-N 426.521 2.381 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690683548 NOTSEJBILXNBEJ-UHFFFAOYSA-N 433.578 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](C)C1 1690723660 XVZHUPZXTFUQGX-HNNXBMFYSA-N 435.550 2.233 30 10 IEEE C[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)C1(F)F 1692799846 FMVRIIBPTCFHLH-FRRDWIJNSA-N 442.492 2.129 30 10 IEEE CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1695146812 PEIQZMULKXEEHB-ZBBYCGENSA-N 430.553 2.398 30 10 IEEE CCN(CCCn1c(C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)S(C)(=O)=O 1695739624 GGLWPBMGLGYFCC-UHFFFAOYSA-N 446.577 2.178 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C)(C#N)CC2)CC1 1695867055 BQVPDLUXJKZNFR-VQTJNVASSA-N 447.628 2.158 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1697063015 ZDZOMHGHBRRAKC-ROUUACIJSA-N 425.489 2.155 30 10 IEEE COC[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697857131 NNILQMUKNKGQAA-XOMICKMZSA-N 428.537 2.325 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1698170873 NNJNOJOECNERLS-YWMUFLPLSA-N 449.939 2.292 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1noc(CC)n1 1705491743 HPYPRVBJFBPSPE-MRXNPFEDSA-N 435.536 2.098 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705522435 FPRZNADZMWBRSG-KSEOMHKRSA-N 442.608 2.312 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705559331 YGZXHLGEZWRXAW-KRWDZBQOSA-N 435.594 2.013 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 1705559845 GKDRCXZDMZXGLW-IBGZPJMESA-N 442.585 2.380 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1705604547 OIVVWAGXXATLNE-ROUUACIJSA-N 438.532 2.483 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1 1705628695 MZUJIKZMMSCLMS-SFHVURJKSA-N 433.553 2.473 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705828876 AYTJBGOUOCGAAY-AWEZNQCLSA-N 443.533 2.169 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCNS(C)(=O)=O 1705857796 LMVBFYRANXBZHN-UHFFFAOYSA-N 440.529 2.460 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1705884076 FMKWGWCLDRCWIE-RTBURBONSA-N 429.569 2.213 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705891167 GJAYZCBVDKQLBY-HNNXBMFYSA-N 437.516 2.337 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCOC2)cc1 1705911911 TZBFUQJICFKGFO-ZWKOTPCHSA-N 432.546 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2)C1 1705922257 JIYGXMNGHPKTBZ-IRXDYDNUSA-N 427.505 2.076 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)cs1 1707761407 OVYOMXUBTNTTPD-RTBURBONSA-N 429.594 2.483 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](F)(C#N)C1 1711019783 HNLWZRSTAGPTHY-KRWDZBQOSA-N 444.895 2.071 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](OC)C(C)(C)C 1712648214 GCCNHUHALGPDDD-NBYUQASBSA-N 446.596 2.240 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cccs2)c1 1712878522 GIYKXHWGRNOXGN-QGZVFWFLSA-N 433.497 2.037 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC1(N2CCOCC2)CC1 1722385268 CEGXXQAVBFRVEC-UHFFFAOYSA-N 433.556 2.357 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722401555 CJINLCLSVJMCEM-NRFANRHFSA-N 435.528 2.443 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722456841 HHZPUKPODCAMOJ-UHFFFAOYSA-N 433.603 2.077 30 10 IEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1722464998 VQPNSIWGUGJVHA-CVEARBPZSA-N 448.593 2.028 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2cncn2)C1 1722491515 LSJFTKPEGILAMC-ZRNYENFQSA-N 445.568 2.416 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCOCC2)CC1 1722568102 APNVOLSGMHNKOR-KRWDZBQOSA-N 430.578 2.147 30 10 IEEE CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1723036931 DTQBXDRBJDMILZ-SFHVURJKSA-N 447.499 2.146 30 10 IEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)c1ccco1 1723961348 FFAQRUPYVSKMGD-QHCPKHFHSA-N 434.500 2.409 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1726749033 CJLSMVVEAVOZME-SFHVURJKSA-N 440.548 2.065 30 10 IEEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1728191194 OOQIMMFIZRGADX-UHFFFAOYSA-N 427.509 2.052 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1740618708 JZFPSIFQCAUDKT-LJQANCHMSA-N 428.558 2.171 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1740629053 ZJQZERWOSFZVGC-INIZCTEOSA-N 438.912 2.375 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(NC(C)=O)cc2)CC1 1740694125 ZETOFRXWVQGZOY-UHFFFAOYSA-N 429.528 2.296 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740769026 YVTVSMMNCJRPFY-CROMWVBPSA-N 448.564 2.299 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740834511 ZUOWJBCUVFVGTQ-UHFFFAOYSA-N 444.561 2.153 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1740876634 VUIIFGHLNPNGTE-SFHVURJKSA-N 437.541 2.353 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCOCC2)C1 1740982032 SDHIECQVWSHCPM-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741985471 YJADGSGTHAIHEW-ICXBWIRDSA-N 439.520 2.176 30 10 IEEE CCc1nc(CCn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)no1 1744473903 ANZRNFHQUZMFPJ-UHFFFAOYSA-N 435.536 2.357 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1747548280 HWGIVKQTJZUBJE-QVKFZJNVSA-N 438.467 2.263 30 10 IEEE COc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)NC(C)C)cc1 1748634534 OWXYLCNPHLZQMX-UHFFFAOYSA-N 447.499 2.013 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748802110 LDNPGFSNMVMOKY-RXVVDRJESA-N 434.537 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cccc(Cl)c1 1748852112 XBXLTQJNDSEBSB-QFIPXVFZSA-N 425.920 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1 1748860302 UUWKXSKBEJYYMQ-FQEVSTJZSA-N 438.551 2.095 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749345525 LFVIVFDZZJNXBW-QURGRASLSA-N 433.516 2.193 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1749613193 HVZQEPXPSYPWGX-QFIPXVFZSA-N 438.488 2.067 30 10 IEEE Cc1noc([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C2)n1 1751967256 QXQOBKDWCVWPJC-LJQANCHMSA-N 437.504 2.291 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1760175835 SPBYCYMICIQEGX-IBGZPJMESA-N 442.589 2.073 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760185799 DTVNFWKVYVIYQT-ICSRJNTNSA-N 446.548 2.061 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC[C@H]1CCCO1 1760198802 JIAHYRONOZMPIN-HXUWFJFHSA-N 436.512 2.375 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1760274491 KHQDRWGTKPHPJA-IEBWSBKVSA-N 445.564 2.444 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1760294283 SNJVJERGKKVFRI-YADARESESA-N 436.560 2.210 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)CC1 1760389824 VDGWCGPFNRIEAU-HNNXBMFYSA-N 433.509 2.114 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2)C1CC1 1760471034 KRZGXPPJTUWBOZ-OAHLLOKOSA-N 447.561 2.057 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760518369 SAXMFRGKFYABRP-SBUREZEXSA-N 441.532 2.030 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCOCC1 1760688126 BDHRLNCXKVEMSU-MRXNPFEDSA-N 448.531 2.213 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCCO1 1761360294 JSPRDYPKFSQWGE-HOTGVXAUSA-N 430.509 2.330 30 10 IEEE CN(C)CCOc1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768512556 JYVJQVGYYUAXSO-LEWJYISDSA-N 440.548 2.041 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCOC1 1768576394 HTVODIMBAXULLL-XMSQKQJNSA-N 442.589 2.391 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CC2)CC1 1769922700 IBNGENDQROMMSQ-UHFFFAOYSA-N 442.589 2.393 30 10 IEEE COc1ccc(-c2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1OC 1769978275 OURNHUYUVSREDE-XUTLUUPISA-N 438.488 2.087 30 10 IEEE COCCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771020406 HHBHTFHYQYXGOT-IEBWSBKVSA-N 440.552 2.323 30 10 IEEE COc1ccc(-c2ccc(=O)n(CCCC(=O)N3CC(Oc4cccnc4C#N)C3)n2)cc1 1848805303 QJVIDFHUSJTYNF-UHFFFAOYSA-N 445.479 2.256 30 10 IEEE C=CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)CC1 1850878309 DWFHMKCGPDOWOQ-FQEVSTJZSA-N 431.533 2.046 30 10 IEEE N#Cc1ccc(CC(=O)N2N=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 1851222155 FUMISDHDHLKWNK-UHFFFAOYSA-N 436.493 2.247 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](c2ccc3c(c2)OCO3)n2c(C)ccc2C)NC1=O 1851489875 IDPDWXRYFZPYJF-KRWDZBQOSA-N 436.468 2.134 30 10 IEEE Cc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H](N2CCS(=O)(=O)CC2)C(C)(C)C)cc1 1851771292 BWLJHNFKFDHVPR-GOSISDBHSA-N 429.546 2.136 30 10 IEEE CC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1 1852500078 GWMZUKMHORMPDF-ROUUACIJSA-N 440.500 2.415 30 10 IEEE Cc1ccccc1-n1nncc1CN1CCN(C(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1853333215 DZWSPEVSYLALPG-UHFFFAOYSA-N 444.495 2.063 30 10 IEEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)cc1 1856631025 DHGJLMZROYMJJD-UHFFFAOYSA-N 431.558 2.446 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1 1862609259 ILSHPYPIHIRHLO-HXPMCKFVSA-N 440.408 2.325 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc(OC)c(O)c(OC)c2)c1 1862708036 KWPGIRMQPQJGNT-CWTRNNRKSA-N 443.452 2.377 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cnc(SC)nc3O)sc2c1 1866083177 PKMIMWBUQYCJLG-UHFFFAOYSA-N 437.528 2.230 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(=O)OCC)cn1CCCN1CCCC1=O 1870448551 DWPQFDDVICTRCE-UHFFFAOYSA-N 445.560 2.367 30 10 IEEE CN(C)c1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874280166 LUCDNCUZGKYCSG-QLPFJNHISA-N 430.578 2.425 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1C#N 1891024016 OJNJJMOLJCWYSI-UHFFFAOYSA-N 438.495 2.412 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1 1891364623 AFCYLQKLWJUQLJ-ISKFKSNPSA-N 433.552 2.349 30 10 IEEE C#C[C@H]1CC12CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 1891755699 ANFQEMRHDQWEIG-RXVVDRJESA-N 443.569 2.450 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2060639682 KRVLQIWFDFWJPF-KRWDZBQOSA-N 435.374 2.328 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]2C[C@@H]21 2124541388 SBBBRXGVRJXTGF-LIEFOEBCSA-N 444.341 2.408 30 10 IEEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2SC)c(Br)c1=O 2140648321 FAYRHGHYAHATQF-STQMWFEESA-N 443.367 2.402 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C1 2141665429 NBLQYPVFALXKMB-HZPDHXFCSA-N 447.341 2.344 30 10 IEEE C=CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(Br)c1=O 2172905576 UXXFRBGIWIKRGF-OCCSQVGLSA-N 443.342 2.222 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2174786998 PIJGRPKBYFAMHH-HXUWFJFHSA-N 429.498 2.015 30 10 IEEE CC1(C)OB(c2cccc(-n3ccnc3CCN3C(=O)c4ccccc4C3=O)n2)OC1(C)C 2247669555 GNHTXBDNNGGXBC-UHFFFAOYSA-N 444.300 2.405 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247920834 DSSREAMLSWXSCA-UHFFFAOYSA-N 447.313 2.332 30 10 IEEE C=CCC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255618821 KDEUYXBZUMTRIA-UHFFFAOYSA-N 432.330 2.004 30 10 IEEE Cc1c(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255626890 LQNMEYGGSIONSW-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE Cc1c(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822865 QGBNDOBLZBOZMK-UHFFFAOYSA-N 432.330 2.192 30 10 IEEE CCc1nn(C)c(C(=O)N(CCCN)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255824859 PRTLZUBMZSYALF-UHFFFAOYSA-N 426.370 2.273 30 10 IEEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C(=O)OC(C)(C)C 2255826932 FLCFMGIUTIQKOD-KBPBESRZSA-N 434.346 2.179 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256015317 UWUZQNFVSALRMD-BBRMVZONSA-N 432.326 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256665479 MBFADVLFPXDFPN-WCXIOVBPSA-N 434.342 2.457 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258890138 BMIKDNNBWUHWGB-ZFWWWQNUSA-N 434.346 2.227 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2266992327 RTCUVIVSZJVYCF-LJQANCHMSA-N 439.365 2.091 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267139132 BPLWKWPSTWVZLT-FMKPAKJESA-N 446.357 2.084 30 10 IEEE CCn1cc(C(=O)N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267181312 QQWSXWRHANVOJW-GJZGRUSLSA-N 448.373 2.187 30 10 IEEE C[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]1CNC(=O)OC(C)(C)C 2267519633 JOISZCPSIMPIRK-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C 2267524920 WZUDSRRUYFEACU-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE Cn1nc(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)cc1B1OC(C)(C)C(C)(C)O1 2267539332 ZOQPCZAABPGOLX-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H](C)CN1Cc1ccccc1 2267540540 XVNWHDVMTGYOCG-ZWKOTPCHSA-N 438.381 2.454 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267599106 KEHYBTNWRVKRCK-MSOLQXFVSA-N 446.353 2.004 30 10 IEEE CC1(C)OB(c2cc(N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)ccc2[N+](=O)[O-])OC1(C)C 2267771128 BHICPWMUNYVDBP-QWHCGFSZSA-N 441.215 2.246 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881050 XBNVETFMXDNNQT-HUUCEWRRSA-N 446.357 2.009 30 10 IEEE CS[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282319645 XCGRSPCDVKJCLP-GHMZBOCLSA-N 439.817 2.109 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)n1C 2315627161 KEYMHKSWXPWRRA-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315643555 OAFNYONNHGEVLV-UMVBOHGHSA-N 449.382 2.428 30 10 IEEE CCCOc1c(Br)cc(C=Nn2cnnc2SCC(N)=O)cc1OC 2321266862 GQNUZDPLVOSPQY-UHFFFAOYSA-N 428.312 2.298 30 10 IEEE COCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(C(=O)OC)cc1 2331305402 YRYUTQOXYDEYPB-UHFFFAOYSA-N 434.518 2.427 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1C(=O)O 2331613016 HYWBJOBVKDLYOO-UHFFFAOYSA-N 439.497 2.413 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C 2337283936 VIAYIAOIFMPQPE-DZGCQCFKSA-N 448.373 2.013 30 10 IEEE CN(CCS(C)(=O)=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2349819209 AMGRPCFLXNIJDI-UHFFFAOYSA-N 432.189 2.225 30 10 IEEE NC(=NO)c1cccn(Cc2ccc(I)c(Br)c2)c1=O 2377434905 OQXFAQHOCOIJEB-UHFFFAOYSA-N 448.058 2.358 30 10 IEEE Cc1cc(C)nc(N/C(=N/C(=S)NC[C@@H]2CCCO2)NCc2ccc3c(c2)OCO3)n1 14157881 CBJWKGCKQXPXMJ-INIZCTEOSA-N 442.545 2.433 30 10 IEEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 16776176 VHSRZEIZZRZLKE-UHFFFAOYSA-N 444.469 2.012 30 10 IEEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 20807082 KPGFDOMOMSOVDE-SSDVNMTOSA-N 439.501 2.248 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 27903861 KYDMDFYQHFTPAO-LJQANCHMSA-N 438.572 2.115 30 10 IEEE C=C1[C@@]2(C)C[C@@H]3[C@](C)(O)C4=CC(=O)OC(C)(C)C4=CC[C@]3(C)[C@@]13C(=O)O[C@@H](C)[C@]3(O)C2=O 257371038 IJLFVBWYDPGYDN-RMDNDODUSA-N 442.508 2.164 30 10 IEEE biogenic COc1cc(I)c(Cl)cc1CNC(=O)[C@@H](C)n1cnc(C#N)n1 410011356 RZNSIBCCTRHGHL-MRVPVSSYSA-N 445.648 2.294 30 10 IEEE CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 432776393 NOZOQBHUCZHMMN-UHFFFAOYSA-N 430.305 2.030 30 10 IEEE N#CC1(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CCN(Cc2ccccc2)CC1 479251853 VSPAGNJZHLCGIE-NRFANRHFSA-N 430.508 2.180 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1OC(F)(F)F 479916353 XFZNXKZJAYDBCQ-LBPRGKRZSA-N 427.404 2.440 30 10 IEEE Cc1cc(NC(=O)CSCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)no1 502426457 UAEWJOIMHIPHCU-HNNXBMFYSA-N 445.526 2.067 30 10 IEEE Cn1nccc1CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(C#N)cc1 507420290 JHCDBYHCDLPBAU-UHFFFAOYSA-N 427.468 2.243 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 513668895 DXUIEKWQRJGYPT-KRWDZBQOSA-N 433.530 2.323 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 515074816 QZLGCNNAASXTLC-UHFFFAOYSA-N 426.565 2.076 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3cccc(C#N)c3)CC2)cc1OC 531385711 OARLHLBMDMOGNY-UHFFFAOYSA-N 443.525 2.087 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)CC2)n1 546875122 VEKCZCAFJJXZTA-LJQANCHMSA-N 435.503 2.222 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C#N)c(Cl)c4)CC3)C2=O)n(C)n1 547960389 XYYRRPGTGDWINO-LJQANCHMSA-N 440.935 2.207 30 10 IEEE CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 570846214 ROQLAXMCWJEWCT-QFIPXVFZSA-N 440.525 2.492 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 571450105 KXAPRUPEEAOJHK-UHFFFAOYSA-N 432.594 2.287 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 576851762 XYIABZIYWPUKBC-HNNXBMFYSA-N 448.570 2.097 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 611552345 WKHPYXHWOQPCPU-FQEVSTJZSA-N 448.495 2.189 30 10 IEEE CC(C)[C@H](NC(=O)CN1CCN(c2ncccc2C#N)CC1)c1ccc2c(c1)OCCO2 619510295 VXODWUZLIUDLIW-QHCPKHFHSA-N 435.528 2.360 30 10 IEEE O=c1c2[nH]c3ccc(Br)cc3c2ncn1N=Cc1ccc(S(=O)(=O)O)o1 725411538 LUNMBIYKAOJIGS-UHFFFAOYSA-N 437.231 2.362 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCOC 726575761 YWVSNLAEXBWESK-MRXNPFEDSA-N 440.565 2.463 30 10 IEEE CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 726987761 DLOJCHGMIKKADR-FQEVSTJZSA-N 431.452 2.493 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cocn2)C1=O 730720139 HCGGDGSSPAKTIQ-MRXNPFEDSA-N 437.472 2.152 30 10 IEEE COCCN(CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)C(=O)OC(C)(C)C 733932378 OZMIKBCALCWBHF-KRWDZBQOSA-N 448.545 2.282 30 10 IEEE C=C(COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OCC 734028665 LCLVIBRXZWENFQ-UHFFFAOYSA-N 427.383 2.022 30 10 IEEE C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC#Cc1ccccc1Cl 747022940 GHIBEPUXQOILJF-HNNXBMFYSA-N 448.928 2.304 30 10 IEEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)CSCc3ccc(C#N)cc3)cn2)c1 748976017 RYOGXQZKBJNWOQ-UHFFFAOYSA-N 427.511 2.186 30 10 IEEE CN(C(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1)C1(C#N)CCCCC1 750420959 GPDUHCMDTRKAFY-UHFFFAOYSA-N 447.293 2.266 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@H]1C(=O)O 757542700 LNOOFWZMBQXJNE-PMACEKPBSA-N 449.463 2.187 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)C1 758770844 MNSMIRZVYPFLOM-KSZLIROESA-N 427.505 2.018 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1C#N 761982978 MKIWZHZADCPJHA-UHFFFAOYSA-N 428.452 2.496 30 10 IEEE C#CCN(C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774196796 MKDMKSNFPZSDAR-IBGZPJMESA-N 449.573 2.086 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 779378499 UQQNHRBUNZOXRD-HIFRSBDPSA-N 430.357 2.404 30 10 IEEE CCN(Cc1cn(C)nn1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 781827543 VERFVWGHYGARTA-FCDQGJHFSA-N 447.565 2.462 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)n1 788949881 LUUYMYCVNAKUMT-UHFFFAOYSA-N 433.553 2.321 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2F)C[C@H](C)O1 789819823 NZGRSOWQKYKNPX-GJZGRUSLSA-N 442.466 2.383 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 794983388 QAZWPCKHHTXXIL-KNQAVFIVSA-N 435.528 2.187 30 10 IEEE COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)c2C)cc1 798744142 PZYBZMHEXUHAHV-OAHLLOKOSA-N 435.440 2.331 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 800772339 AGUHAFVPQNIFPV-LSDHHAIUSA-N 427.509 2.461 30 10 IEEE COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802462701 KVFZWWXJSDXARP-UHFFFAOYSA-N 447.543 2.312 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802581474 QSZSNOUWFLRAAL-GOSISDBHSA-N 444.543 2.428 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cc1 805016557 FULRBCMWRFJRLR-UHFFFAOYSA-N 434.417 2.209 30 10 IEEE C[C@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 806424590 PHHXLUIHEAGZRZ-HUBLWGQQSA-N 435.410 2.448 30 10 IEEE C#CCCS(=O)(=O)NC(=O)c1cc(Br)cc(I)c1 810780259 VVGILRFWMFLPLY-UHFFFAOYSA-N 442.072 2.137 30 10 IEEE COc1cc(CNC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1C#N 811938076 OZCRFNURBPHMHI-IBGZPJMESA-N 443.548 2.403 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCO3)n2Cc2ccccc2)c1 812046856 QVXQRZQANORHCA-NRFANRHFSA-N 431.496 2.471 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@@H]2CCCC[C@H]21 813980213 WGZZMWBQXHQLOT-UAGQMJEPSA-N 434.518 2.326 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 858070204 UKNZIESZSUATAY-QGZVFWFLSA-N 440.525 2.068 30 10 IEEE Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 916896393 GBBBXPYMKXZNFD-WMZOPIPTSA-N 444.513 2.348 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(CN3CCOCC3)o2)c1 1125126020 OCRQLUUCDXAXCB-ATJXCDBQSA-N 446.529 2.177 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCSC4(CC(C(=O)OC)C4)C3)cc2C1=O 1134846469 UEOXHLJTEABLOB-HVPFBLEYSA-N 428.510 2.416 30 10 IEEE C[C@@H](Sc1nc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cs1)C(N)=O 1137497345 GVVADRQGCDMOJO-GFCCVEGCSA-N 445.570 2.123 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C[C@@H](O)CC3(C#N)CCC3)C2)CC1 1190465945 PFYIJXQFDWFKGM-MOPGFXCFSA-N 434.581 2.223 30 10 IEEE CCOC(=O)[C@@]1(F)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1CC 1197671599 KOFWMYKTBQDFDM-CSODHUTKSA-N 436.553 2.070 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)CC1 1224096610 JYRXFNWCIMQZCV-JOCHJYFZSA-N 440.569 2.155 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1286388108 YFRXHAVUIFVYHB-HNNXBMFYSA-N 442.545 2.234 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OC)c1 1286408643 IORNDEVGKVZVJQ-UHFFFAOYSA-N 448.552 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)NC(C)C 1286424588 ZVLLCDFTABAJMF-UHFFFAOYSA-N 427.574 2.298 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1286458916 GMACSUNNEIKNSA-LJQANCHMSA-N 436.560 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCCC)CC1 1286488236 LQSDKDKEWRHLGL-UHFFFAOYSA-N 442.951 2.091 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCOC2)CC1 1286491347 NYHMKCAFOGRXCO-GOSISDBHSA-N 439.535 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nccn2C(F)F)CC1 1286494495 URNSBSAVPZAOLG-MRXNPFEDSA-N 447.490 2.125 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1 1286718513 MAPMSKHUYLCFJN-SJLPKXTDSA-N 433.578 2.369 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)OC)C1 1286809058 GFXDBVJQKSOXRH-MJGOQNOKSA-N 427.553 2.268 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1286822680 FWFYNQJHRGPQRA-CQSZACIVSA-N 431.628 2.201 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286825387 QLMXCLNOSFFRFP-RBUKOAKNSA-N 437.610 2.043 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1286964606 CNMRGDWTAAXOSQ-GOSISDBHSA-N 446.559 2.336 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)C1 1288976293 WNMRBAZDOHQSSQ-VGSWGCGISA-N 439.520 2.251 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291904029 VALROGLYKJUBKW-ZBKJMMEJSA-N 436.516 2.183 30 10 IEEE C#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1F 1297712992 PWNIDWBJNMGMFO-QZTJIDSGSA-N 433.842 2.012 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1300269970 ABBCMQMCMYPUTN-HZPDHXFCSA-N 446.577 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1300305328 UKZOYSUVDKOGKL-JXFKEZNVSA-N 433.560 2.473 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1300528372 VETFNBATZRXEAZ-UHFFFAOYSA-N 440.511 2.012 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1300700018 KQFDONGRMLXENF-OALUTQOASA-N 446.596 2.231 30 10 IEEE COc1ncccc1Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300710357 CDBXHAJPPRJKJB-UHFFFAOYSA-N 449.563 2.169 30 10 IEEE C#CCSCCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300778320 SEQPXZDJABFRSJ-XMSQKQJNSA-N 444.605 2.413 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1300983460 IUBWIRUVOZKZET-QGZVFWFLSA-N 431.541 2.375 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(=O)(=O)CC)CC1 1301087760 STMDSQWDAQDZTB-UHFFFAOYSA-N 425.505 2.243 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301174129 MWWVTKIPUYUNFB-INIZCTEOSA-N 432.550 2.295 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1301296351 GEQLIGGMRICGCS-CRAIPNDOSA-N 437.541 2.176 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1ccn(C)n1 1301335210 ZUAYCIVYKJTXDA-UHFFFAOYSA-N 435.532 2.497 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1301403597 MDVVFYDKLMWZMJ-IBGZPJMESA-N 431.562 2.146 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1301475046 KVMXRRPORXMCRG-KXBFYZLASA-N 447.486 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(N)=O)CC1 1301485558 YENQZWYOEVAFLZ-UHFFFAOYSA-N 442.589 2.279 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1301528484 CQYZVSSHYNQEHI-QGZVFWFLSA-N 433.578 2.486 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OC)c(F)c1 1302312309 ZOPMBAZFJBNLKH-QKLQHJQFSA-N 445.495 2.121 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2CC2CCS(=O)(=O)CC2)cc1 1302989985 UMOUJLFZWOTICV-UHFFFAOYSA-N 443.573 2.383 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ncnn2C(C)(C)C)CCOC1 1303478969 SCFOGOYTCZTLJX-KKSFZXQISA-N 430.557 2.452 30 10 IEEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1303556677 CERUPUCYEDVUTI-SFHVURJKSA-N 446.577 2.007 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3c(C(=O)OC)ccc(OC)c3C2)c1 1309819626 XATUGKVKIQLUCK-UHFFFAOYSA-N 444.509 2.145 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1310196348 NUZMYBMHGFJICV-UHFFFAOYSA-N 432.546 2.143 30 10 IEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1314022921 FTGMEGKVDWHQSY-UHFFFAOYSA-N 442.520 2.170 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2COc3ccccc3O2)CCOC1 1314079364 ACKCCOLVPHQMGX-GSHUGGBRSA-N 427.505 2.366 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1316337318 BLQKJSTVSWFORZ-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)N(C)CC 1359020794 QJQBMFWHBPLWJF-UHFFFAOYSA-N 440.367 2.333 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)Br 1359027171 YDJWOHURVAAVQF-UHFFFAOYSA-N 431.285 2.213 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359028275 MQJHTABBJLWCFE-HXUWFJFHSA-N 443.640 2.072 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359051566 BHJWHMWLNYANAL-GOSISDBHSA-N 433.965 2.306 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359096639 FECWLZPQBMMJEJ-HLIPFELVSA-N 425.537 2.211 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359306098 VUHYMPMQUKLCSM-FOIQADDNSA-N 427.496 2.102 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCS(=O)(=O)C[C@H]3c3ccccc3)CC2=O)cc1 1439693764 OBCFTHWYMDMESC-CTNGQTDRSA-N 437.521 2.300 30 10 IEEE CCn1c(S)nnc1C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1443537561 YXEJQQMGMYUDRC-UHFFFAOYSA-N 437.522 2.043 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 1460177544 AKCPGZGTBSCZKD-HDICACEKSA-N 442.537 2.427 30 10 IEEE CN1C(=O)[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)Cc2ccccc21 1470021688 ZUIMZICDFHQYLP-QGZVFWFLSA-N 439.313 2.461 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3occc3[C@@H]2C(=O)OCC)ccc1F 1470132375 MHXSGMVDHWZHCP-GOSISDBHSA-N 436.461 2.186 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)[C@]2(C#N)CCCOC2)CC1)C(=O)OC(C)(C)C 1470535808 VFZKAESROQDFHK-QFIPXVFZSA-N 436.553 2.061 30 10 IEEE C[C@]1([C@@H]2CCCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)COC(=O)N1 1470672739 WWCPEMMMLZAWBK-AUSIDOKSSA-N 425.533 2.443 30 10 IEEE COc1cc(CNC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)ccc1C#N 1478593219 QHOJYKPPCIXWEX-UTKZUKDTSA-N 438.532 2.488 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1503212993 CGJGXGWZMLXWPF-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCCC2=O)CCO1 1505322096 INYGHBUDOAHUFO-MRXNPFEDSA-N 444.486 2.278 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1507536407 BYMADKNWZUBIEQ-BBTUJRGHSA-N 441.601 2.085 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507638970 UECCNBRMFSHURN-HSALFYBXSA-N 449.621 2.021 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[C@H](O)C2)CC1 1507732980 WABKRVIGGOMACC-OALUTQOASA-N 427.524 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1507735437 WOSDPOPNVCYOIK-UHFFFAOYSA-N 442.470 2.064 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(F)(F)F)CC1 1507740818 ZLCIRANXHQPLTD-UHFFFAOYSA-N 445.449 2.045 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1507761764 QQDXKJAIQCAKLD-DHIUTWEWSA-N 429.565 2.181 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1507836084 WOVRDOFRMCCWMG-SFHVURJKSA-N 427.553 2.224 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507840845 UJVFIPDVELXDIG-PZJWPPBQSA-N 426.565 2.480 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1508008712 RGLDDDPXFFATGU-OAHLLOKOSA-N 447.590 2.104 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](CC)OC)C1 1508118232 RBHKMPMBGNUWSC-DLBZAZTESA-N 438.532 2.398 30 10 IEEE CC(C)(C)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508486050 IAJVXPJUMPVUGC-RAJOGRCSSA-N 428.537 2.107 30 10 IEEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1511380120 FUGNNBKPOWRHEO-UHFFFAOYSA-N 436.516 2.134 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1513216574 FJKVWFZMRPTOQI-RXVVDRJESA-N 449.552 2.323 30 10 IEEE CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)OC 1513250430 CRMDIWVLNNLDDU-QAPCUYQASA-N 426.587 2.224 30 10 IEEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1516663739 SUCLQPIDIAGQKU-QFBILLFUSA-N 438.598 2.225 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CCn1cc(Br)cn1 1519161737 AROBESLHQPMUBO-UHFFFAOYSA-N 445.325 2.366 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccnn1C 1521200486 PXMAJSWQPDOBQN-OLMNPRSZSA-N 436.299 2.396 30 10 IEEE N#Cc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 1529076375 QVMOMJRKRCLDMV-UHFFFAOYSA-N 425.919 2.224 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1531089994 QZIMXDAFZHHBCW-IBGZPJMESA-N 429.318 2.275 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539011282 DBJKIMIRBVVSMH-NVXWUHKLSA-N 435.981 2.262 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1539068602 YEKDUGQKFMFVQI-QGZVFWFLSA-N 435.536 2.367 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cccs1 1539172201 VKMSKIISSPZPNZ-JOCHJYFZSA-N 434.525 2.231 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1539220494 JXHIZRYKSSHRBH-OALUTQOASA-N 446.548 2.295 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2c(CC)nn(C)c2OC)CC1 1539454484 PVDILKOTJLTXJT-UHFFFAOYSA-N 439.589 2.038 30 10 IEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 1540877420 UOQNQKFRXZNETP-IBGZPJMESA-N 438.532 2.487 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)CCO1 1541074041 GTPIUZAUCDZDLW-SIKLNZKXSA-N 440.573 2.444 30 10 IEEE CC[S@@](=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1552443896 QEZRYZAZPPOFFJ-SSEXGKCCSA-N 429.594 2.229 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1552920091 GNLQJVWYOGXNJZ-LJQANCHMSA-N 429.546 2.257 30 10 IEEE COC(=O)N1CCC(Cn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1554550563 DRWPVWAVMQPVDC-LJQANCHMSA-N 440.504 2.161 30 10 IEEE C=CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)[C@H](Cc1ccccc1)C(=O)OCC 1556204946 IPPBEOMOJODOAR-QRQLOZEOSA-N 434.533 2.450 30 10 IEEE CC(C)S(=O)(=O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1556889303 GEMGFEDBJAJSSR-SFHVURJKSA-N 435.546 2.332 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCc3c(CC#N)cccc3C2)cc1 1557817118 PSLBEVGSXKJZAL-UHFFFAOYSA-N 425.510 2.209 30 10 IEEE CC1(C)OB(C2CCN(C(=O)[C@@](C)(O)CN3Cc4ccccc4C3=O)CC2)OC1(C)C 1558165904 WECSVNLEEPRHSI-QHCPKHFHSA-N 428.338 2.478 30 10 IEEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 1558799957 WFWWXMRZMUUIIV-CVDCTZTESA-N 434.540 2.217 30 10 IEEE CN(C)S(=O)(=O)CCS(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 1561267507 DVYRNUURBOVNNB-UHFFFAOYSA-N 441.962 2.439 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)c1 1562689779 CDHOOPFINAQWJI-UHFFFAOYSA-N 435.484 2.141 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCCS(C)(=O)=O 1587904342 DSKFHMQZEDXVCX-UHFFFAOYSA-N 431.562 2.432 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588034757 LKOHQPQIQKRJLK-QGZVFWFLSA-N 449.558 2.233 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCOCC1 1588083362 FZGMWHIYZYIAPO-MOPGFXCFSA-N 425.508 2.351 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCc1ccn(C)n1 1588472262 DGLOGHRKYPEOFN-UHFFFAOYSA-N 435.507 2.269 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCCC1 1588646233 IAODCVTYMRYVQB-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1 1595429842 JPSMKCOMCSLPDZ-LJQANCHMSA-N 428.533 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1595772796 HCPRUQMZBPCBEQ-GOSISDBHSA-N 432.546 2.108 30 10 IEEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CC#N)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614466870 YTBSWTZLBNCNMW-JVOMWSEZSA-N 442.556 2.294 30 10 IEEE COc1ccc(OCCCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1619325345 ZKVOBNHYSUJSKD-OAQYLSRUSA-N 434.500 2.470 30 10 IEEE C=CC1(CC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 1624811559 SIYRCRAWEBGUJM-HXUWFJFHSA-N 442.560 2.170 30 10 IEEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](N(C)c3cccc(C#N)c3)C1)C2=O 1627789800 CNBNKKXTWRDBBW-STWKMJTMSA-N 437.544 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 1628132376 DIIRJGKPUBDRJF-CVEARBPZSA-N 441.937 2.445 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)C1 1628306858 UMOUYWSZSSJYSN-DSESUSJESA-N 439.578 2.245 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(OC)c(OC)cc2OC)s1 1629890885 QYMPFRPUEIWZHL-UHFFFAOYSA-N 426.516 2.419 30 10 IEEE Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1630544035 ONUANSPWBOXUJN-SOLBZPMBSA-N 433.530 2.475 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1631850607 OFQIMZGLGIBAEB-LJQANCHMSA-N 447.624 2.199 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1633146701 RAAISFISRQCZBD-UHFFFAOYSA-N 432.477 2.080 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1634051451 QPLZJQAOIGAFKV-QGZVFWFLSA-N 436.940 2.470 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H](CO)CN1CCCCC1 1636340970 DBBAOGGSETVANY-PZJWPPBQSA-N 442.560 2.356 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1637885454 HUDFDHCBHHIBET-HXUWFJFHSA-N 427.549 2.220 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1639050512 VUXCKMCZXIBPMN-OAQYLSRUSA-N 435.452 2.240 30 10 IEEE Cc1ccc(NC(=O)CSc2ccncc2C#N)cc1S(=O)(=O)N1CCOCC1 1641268992 MSLLVXCGBDKPNH-UHFFFAOYSA-N 432.527 2.013 30 10 IEEE C#CCN(CC(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1643281980 QUURAROVFOKOTQ-UHFFFAOYSA-N 439.553 2.077 30 10 IEEE C#CC1(F)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1643705843 FGIYIJGPLZVDRY-CYBMUJFWSA-N 429.311 2.034 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1[C@@H](O)c1ccccc1 1644025462 GVKCWVDQBCEGIE-NDXORKPFSA-N 427.526 2.340 30 10 IEEE CCOC(=O)[C@](C)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CC(C)C 1646223361 LHWSKXKGPFSWNX-NRFANRHFSA-N 437.562 2.237 30 10 IEEE C=CCCC[C@@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1652017022 JFMPAVFGWLBMER-MHTXLSKPSA-N 430.567 2.149 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CO1 1653131940 GGCLAPQXLBVEBF-ZIAGYGMSSA-N 434.880 2.232 30 10 IEEE N#Cc1c(NC(=O)CCN2CCN(c3ccc(F)cc3C(N)=O)CC2)sc2c1CCC2 1654328027 PXWWONVULAOKLK-UHFFFAOYSA-N 441.532 2.497 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](OC)C[C@@]2(C)CO)cc1 1659750954 PULIWEIRCKJLDN-XXBNENTESA-N 426.517 2.385 30 10 IEEE CC(C)Cn1cnc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1664911601 DSPOESSKFFDAOG-UHFFFAOYSA-N 439.545 2.312 30 10 IEEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(c2ccsc2C#N)CC1 1679191460 GEWMYCJQOZYOGB-GOSISDBHSA-N 439.589 2.057 30 10 IEEE CS(=O)(=O)N1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 1683743833 DYMURLBBEYDCDQ-FQEVSTJZSA-N 430.505 2.443 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689980056 KXXYZHDXPBMANQ-LEWJYISDSA-N 429.590 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNC(=O)C1CCC1 1690040448 BEIIWCSXUJCPNJ-UHFFFAOYSA-N 433.512 2.443 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1)C1CC1 1690538906 ROLZAFZEQJHBPL-UHFFFAOYSA-N 449.353 2.473 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)C 1690560746 ZXURZHJDFGWIGL-IBGZPJMESA-N 435.532 2.066 30 10 IEEE CCOCc1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1696264865 KPZBOFXNQXPXSU-PAMSCFNVSA-N 428.537 2.500 30 10 IEEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC#N)CC1 1696619228 VUCXCDWZTYFMNP-UHFFFAOYSA-N 440.548 2.425 30 10 IEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2COC(C)(C)OC2)CCOC1 1697227858 HHFKAIFNIJRFSL-QHCPKHFHSA-N 441.532 2.458 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)C1 1698099449 OARIUKAHBVEVAR-HOTGVXAUSA-N 428.537 2.456 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C[C@H]1OC 1698292075 MPFHSNUKMWAZER-KDURUIRLSA-N 427.436 2.359 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)c1 1698485206 UTXIZSRCFQVQOV-QGZVFWFLSA-N 447.465 2.170 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOCCc2ccccc2)C1 1698486583 NFEZXRAKSKYYFM-QHCPKHFHSA-N 440.523 2.492 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1705492374 PRCFUHKSZGKNSF-KURKYZTESA-N 433.553 2.266 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CC)C1 1705526738 PDVHZTGZEDPEAM-GOSISDBHSA-N 431.562 2.224 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705538359 LKZKUXXTYMLPAP-UHFFFAOYSA-N 434.544 2.213 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)CCCO2)CC1 1705632050 GTLODTUZVHOBQQ-DEOSSOPVSA-N 436.560 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2conc2COC)CC1 1705650770 YCJCILGTSRINFT-UHFFFAOYSA-N 440.548 2.159 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705726642 XELJQGFGTNYYKE-KNQAVFIVSA-N 437.592 2.219 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCN(CC)CC1 1705839403 ZEJLTEBKXGJVPR-GOSISDBHSA-N 426.565 2.365 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1706094520 DDCOUGFFTCCQPJ-UHFFFAOYSA-N 441.536 2.298 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1709938735 UBEKWZJSXQYQIR-FQEVSTJZSA-N 440.573 2.092 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1722361441 NCTOZAKZGUORLS-JKSUJKDBSA-N 435.500 2.402 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1722435068 FPLABWZGLQTLKM-UHFFFAOYSA-N 427.553 2.332 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOC)CC1 1722435653 RJSQOIRDONWSPT-UHFFFAOYSA-N 446.555 2.477 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722530899 DCANHGQPTZIWMV-CTNGQTDRSA-N 426.565 2.480 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1722603515 KJJMAYKOCNLGKG-CVEARBPZSA-N 447.552 2.449 30 10 IEEE C=CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O)C1CC1 1722653786 LKPWAFIQGPNLKR-UHFFFAOYSA-N 431.562 2.356 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722688819 MGQHNYIALZMRJU-DEYYWGMASA-N 446.379 2.324 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722701390 OMPBMYKMCCXRDS-IBGZPJMESA-N 449.559 2.319 30 10 IEEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1722703681 ZRKJKGBESNFJIS-KRWDZBQOSA-N 446.983 2.448 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1723967858 BVBKYOHOEQGWNI-AVRDEDQJSA-N 443.573 2.218 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCC[C@H](C)C1 1729070547 QJGOYOOSUQTULX-IBGZPJMESA-N 438.580 2.140 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)cc1 1730096217 KSDVZEROJXYOAB-VQTJNVASSA-N 427.505 2.268 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620950 IKVGCVHSVFKULQ-GOSISDBHSA-N 447.580 2.441 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740624103 CLIOBUPNTLTKOA-PGRDOPGGSA-N 448.564 2.042 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOc2ncccc2Cl)CC1 1740702449 PIIXECHXQMKKLG-UHFFFAOYSA-N 430.940 2.495 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740816598 ITBZUJAWHQAMFN-NQIIRXRSSA-N 439.988 2.230 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852073 IFMFXPZDFHCCTI-AUSIDOKSSA-N 449.596 2.262 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccccc2)C1 1740976768 NEDHBXSKQRNLOO-KRWDZBQOSA-N 442.545 2.033 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1740990906 JJRZRKBMLJGNOS-GDBMZVCRSA-N 439.582 2.106 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OC)C1 1740995639 SIGPTWPRQNVILF-KZNAEPCWSA-N 440.610 2.413 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1741124924 HFZLBDRUUTWLFD-FUHWJXTLSA-N 444.561 2.136 30 10 IEEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(Cl)cc1 1741831688 FAYDRZBRSPFDJV-CRAIPNDOSA-N 444.923 2.364 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC(C)(C)C 1744090961 KUBJGRNACDYZHG-GOSISDBHSA-N 431.585 2.188 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1748801754 FWXVJSPNIRXLAD-LJQANCHMSA-N 446.573 2.368 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749022983 OQXAUGIAJMVUTM-IBGZPJMESA-N 426.590 2.117 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749032970 WJRDTRMFGNQFKE-UHFFFAOYSA-N 437.504 2.094 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC 1749056674 OYNKYAXCEXKRRZ-LJQANCHMSA-N 439.488 2.088 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1749187886 VJGPMQPTWJAYOT-UHFFFAOYSA-N 438.580 2.224 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1749670898 WMXPNUDXCSYKJO-AUSIDOKSSA-N 425.533 2.228 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749741110 PSIPLWIEFQSKQR-QGZVFWFLSA-N 444.609 2.231 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)N1CCSCC1 1760108187 ZJDUAHNFKHWMBH-KRWDZBQOSA-N 447.630 2.344 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760180442 FQOBTOKRQZOOGB-LEWJYISDSA-N 429.590 2.296 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccccc2F)C1 1760195038 VLORGZAHLFHSKM-BRWVUGGUSA-N 429.521 2.219 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(O)nc2ccccc21 1760224607 RDBGQZLCXZXMEZ-UHFFFAOYSA-N 430.472 2.140 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CCC(C)C)CC2)CC1 1760259344 KUIIZGWAGBSXQR-QFIPXVFZSA-N 428.625 2.295 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@](C)(O)C(C)C)CC1 1760264343 JIGXGMQUTMJBBH-XMMPIXPASA-N 441.576 2.418 30 10 IEEE C=C(C)COCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1760360473 CXQVTUPBYFQCLI-UHFFFAOYSA-N 445.549 2.265 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760376721 BFPQNEJPZHDXIE-UHFFFAOYSA-N 443.983 2.151 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCCS(C)(=O)=O 1760483425 OYPIBSBKPUOEHL-UHFFFAOYSA-N 432.525 2.445 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1760497780 RLCQSOMLQHULTO-HYFFOGBASA-N 433.553 2.379 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](C)C1 1760524255 TXQOUUHBOHSGQO-SFHVURJKSA-N 438.580 2.381 30 10 IEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncn(C)n2)cc1 1761087978 DGPNOQSFDBRGOC-IBGZPJMESA-N 436.520 2.276 30 10 IEEE CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1762155240 GSKYBGDFPKSCMN-QUCCMNQESA-N 445.612 2.247 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1765473576 UJHMBGUSVDDJBL-QGZVFWFLSA-N 449.559 2.180 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1766648501 YHSCKEFCXHGMCC-APWZRJJASA-N 429.546 2.421 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1767711888 XRRKZQSAHNGGFL-ZBKJMMEJSA-N 436.516 2.477 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1769097677 NNTWZMWSCDGCHW-SFHVURJKSA-N 433.520 2.022 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1769842343 RBABFNHOISWPGU-HSZRJFAPSA-N 433.516 2.194 30 10 IEEE N#Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2n1CCCC2 1850754080 XVXKCVYSAOJRJM-CQSZACIVSA-N 431.493 2.270 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851158879 JBTNFMBPULRVHD-GFCCVEGCSA-N 447.435 2.309 30 10 IEEE C[C@H]1CC(=NC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)NN1c1ccc(Cl)cn1 1852733770 JLORHZGEXQEQOI-WMLDXEAASA-N 443.939 2.441 30 10 IEEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)CC1 1853680452 HWNYHSFXZLVRGM-OAHLLOKOSA-N 439.484 2.297 30 10 IEEE CC(C)Oc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874336318 AXXWBTMJWKIOMH-VYPBGABDSA-N 444.561 2.249 30 10 IEEE CCN(CC)c1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890171286 OWSWOYICKQFBLP-UHFFFAOYSA-N 426.605 2.405 30 10 IEEE N#CC1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 1891257980 QQTFBRTUHMZLBU-UHFFFAOYSA-N 438.553 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124537573 ZSIAPACTLINWTD-RCDICMHDSA-N 444.341 2.361 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)nn1 2132686409 JHURMLNMNJTYIL-MRXNPFEDSA-N 447.345 2.171 30 10 IEEE C=C(C)CN(CC)C(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195285363 GKFBDHUUKQBAHF-VPTFNQTCSA-N 438.546 2.318 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2248403432 GHLBLVPGWJPWLA-HNNXBMFYSA-N 440.733 2.463 30 10 IEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403495 GZZBEARBEOBFCT-IBGZPJMESA-N 440.375 2.139 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)o2)OC1(C)C 2255659058 MVFBIRUEMYWTPW-GFCCVEGCSA-N 430.232 2.110 30 10 IEEE C[C@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)C(F)(F)F 2255818470 LNVRIHOGGPMRCO-AAEUAGOBSA-N 430.232 2.108 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2267146744 PEWSHBHVTBGGPO-OTWHNJEPSA-N 436.365 2.492 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267181584 UKVHHMKZVBNCIV-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1CCNC(=O)OC(C)(C)C 2267518700 GOGYHDJDKCXUBT-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267518737 DAALAYXLDQMEKV-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267547861 BRIXMTKWBGIURB-UHFFFAOYSA-N 448.373 2.399 30 10 IEEE CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)CC1 2267578390 IVVOHLZNRWGEJV-GOSISDBHSA-N 447.385 2.211 30 10 IEEE COc1[nH]c(=NCCCN(OC)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317502790 GBCJJJJXNKOSON-UHFFFAOYSA-N 437.346 2.412 30 10 IEEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1 2328471540 DZNRCFXNCUKSHQ-UHFFFAOYSA-N 426.458 2.251 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccco1 2328989195 VKTWDEILLMWGAB-HNNXBMFYSA-N 432.550 2.438 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2337175980 GKNMWGVFZNBAPK-UKRRQHHQSA-N 448.373 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(Nc1ccc(C#N)c(Br)c1)C(=O)O 2350877302 IFPZKDGAIYGZLI-SUMWQHHRSA-N 426.267 2.480 30 10 IEEE CC1(C)OB(c2cnc(OC[C@H]3C[C@@H](S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2380934795 MXJLVCAATWSFIW-BJHJDKERSA-N 446.172 2.345 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3ccccc3F)CC2)cc1 18661957 GNINHGCSCLEVCZ-UHFFFAOYSA-N 445.472 2.280 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)cc1OC 20528377 KDQUQNXRJBTLPJ-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE C#CCOC[C@H](O)CN(Cc1nc2sc(C(=O)OCC=C)c(C)c2c(=O)[nH]1)CC(C)C 36207341 BLPLSZWJELRWGM-MRXNPFEDSA-N 447.557 2.105 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3ccc(F)cc3)c2CCC)CC1 429608348 GLPIFWKLZWGUOS-UHFFFAOYSA-N 428.512 2.416 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)sc3ccc(Cl)cc23)CC1 441790695 UCRAUXLPYGSREK-UHFFFAOYSA-N 427.979 2.472 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@H](O)COc2ccccc2Br)ccc1F 443506542 GHOJNYNTXUQXHQ-LBPRGKRZSA-N 429.267 2.178 30 10 IEEE COc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCC1 460289046 NJWMEGCYUYFZHA-UHFFFAOYSA-N 429.498 2.160 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)CC(=O)Nc1cc(OC)cc(OC)c1 460790802 FPSAUMSZONXFMS-SFHVURJKSA-N 431.493 2.034 30 10 IEEE Cc1onc(CC(=O)N[C@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)c1C#N 476774653 GANXJCYWAGFZGP-FXAWDEMLSA-N 438.484 2.197 30 10 IEEE COc1cc2nc(CN3CCOCC3)n(Cc3ccc(C#N)c(F)c3)c(=O)c2cc1OC 478547200 GXVUCUAMKSDGSS-UHFFFAOYSA-N 438.459 2.305 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 480616830 VIOZFSYYWOHRFQ-IBGZPJMESA-N 432.933 2.271 30 10 IEEE N#Cc1ncn(CCNC(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)n1 491123912 PVMKAAFHCVTJNR-FXAWDEMLSA-N 436.447 2.039 30 10 IEEE N#Cc1ccc(OC2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 507861790 UFIBBJMMVQNDBG-UHFFFAOYSA-N 428.514 2.078 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508462164 SVPUWJOTVDYAFJ-MRXNPFEDSA-N 439.495 2.164 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 508913930 QSSWROMORHCHNL-LJQANCHMSA-N 431.562 2.181 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCO2)CC1 518571913 OXFPOQFOWRRNHV-IBGZPJMESA-N 444.967 2.202 30 10 IEEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 520899202 BKUNYUOPOYMDQX-QGZVFWFLSA-N 443.525 2.248 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 534105237 FKYNXJMFOTYWHL-ROUUACIJSA-N 440.500 2.486 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cscc3C#N)CC2)cc1OC 551258059 BBECHOALBPLKJN-UHFFFAOYSA-N 435.527 2.220 30 10 IEEE COc1cc(CNC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)ccc1C#N 568339744 FFJJBIMHYPDSME-GOSISDBHSA-N 446.504 2.358 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 573305868 RUDIZTKMYNSLRO-UHFFFAOYSA-N 446.532 2.162 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCCO3)CC2)n1 579688553 OGUIJLDEJPGSMA-HXUWFJFHSA-N 430.516 2.036 30 10 IEEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 589467615 AQILJVYUBGXDSO-UYAOXDASSA-N 432.933 2.052 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)OC)cc1 609266329 OFBUUOYRIWTZIR-KRWDZBQOSA-N 434.489 2.052 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1 609694497 HORAXPOXUQGVEP-SJORKVTESA-N 431.464 2.473 30 10 IEEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)CC1 614823349 XEBZZFVUASJRBJ-UHFFFAOYSA-N 431.540 2.439 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCc3cnn(-c4ccccc4)n3)C2=O)cc1 733829942 CCNPGSLHUIXEPN-IBGZPJMESA-N 430.424 2.087 30 10 IEEE CC[S@@](=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 741423335 DJUKKTXFBLDNMG-PCLGYLGWSA-N 428.580 2.170 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(c3nnc4ccccn34)CC2)C1 758750492 FXANFYBTZDCFLV-DLBZAZTESA-N 439.520 2.377 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@]3(F)CCN(C(=O)OCc4ccccc4)C3)CC2)n1 760778201 RBSZCHDHMQGKET-QHCPKHFHSA-N 437.475 2.353 30 10 IEEE C=CCn1c(-c2cccs2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 765051513 AWTKALIDZIWCOT-UHFFFAOYSA-N 429.575 2.202 30 10 IEEE C#CCN(C(=O)NCC1(c2cccc(Br)c2)CC1)[C@H]1CCS(=O)(=O)C1 774219791 OGINSZUTSNOYNU-INIZCTEOSA-N 425.348 2.313 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 780213935 JPQMVWHJTXFELS-GOSISDBHSA-N 449.294 2.185 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)n1 790104501 PAQLNUUGAIVOIF-XXBNENTESA-N 436.556 2.491 30 10 IEEE C#C[C@@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 794911180 VDJDYAFWEILCGU-QGZVFWFLSA-N 438.521 2.431 30 10 IEEE N#Cc1ncccc1COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 813168201 CSWNERRYCWCNGX-LFYCCGFASA-N 439.471 2.476 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 916778127 NBANNLDRGROVMC-UHFFFAOYSA-N 439.449 2.429 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 1146222298 YITXGHZIPSXWQK-HYBUGGRVSA-N 432.480 2.049 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccc(F)cc1)c1ncc[nH]1 1147519332 NBHMGOKWDPHSBL-LJQANCHMSA-N 441.488 2.273 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1148315463 ZKPFWSFBQVMMIQ-LJQANCHMSA-N 441.532 2.175 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(NCCN4CCOCC4)c(F)c3)C2)nc1 1160059209 IOZFYTPGAFXOGG-IBGZPJMESA-N 439.491 2.130 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@@H](CO)[C@@H](O)C2)nnc1-c1ccc(Cl)cc1Cl 1161334855 ALGNNTDQOQQNKQ-NHYWBVRUSA-N 443.356 2.342 30 10 IEEE CC(C)(CO)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cccnc1 1194674357 GCJOQGCWIKKBAA-GGAORHGYSA-N 439.535 2.279 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)Nc1cccc(C(=O)N3CCSCC3)c1)C2 1198414214 HOPJDSZGBPUXAM-UHFFFAOYSA-N 441.582 2.388 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](n2cncn2)C(F)(F)F)cc1 1214687552 SBWNVRCMXVVUIQ-CQSZACIVSA-N 432.428 2.010 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1286273286 DHTHFAOVEYGNFK-AVRDEDQJSA-N 446.573 2.251 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286328848 QVSAEBAESJMXCX-KRWDZBQOSA-N 428.562 2.189 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1286382676 BHRAJLFFTCAGJG-GQIGUUNPSA-N 436.603 2.388 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1286387014 MJPGDNLOIKDLHZ-HNNXBMFYSA-N 429.477 2.056 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 1286481242 UETZLTKKKDABQO-QGZVFWFLSA-N 435.450 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2F)CC1 1286488279 MFHBBDYLIBMVFZ-QGZVFWFLSA-N 443.523 2.155 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286559493 WZADCERRAGLGJR-YLJYHZDGSA-N 439.626 2.366 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1286653944 BKEJMXKSEOSVPY-QHCPKHFHSA-N 427.549 2.431 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1286712383 XQFQHOOKZFWMGI-QGZVFWFLSA-N 426.583 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1286778993 CLZGIRHEOVPJDH-SFHVURJKSA-N 433.285 2.452 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)=C(C)C1 1286786632 HZWHLECDKMDAGN-UHFFFAOYSA-N 443.577 2.087 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1286805863 XIZHQBHVNRNRPV-NHCUHLMSSA-N 426.565 2.478 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C2CCCCC2)C1 1286812199 KIMRRSJMNCMUDI-HXUWFJFHSA-N 430.597 2.446 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1286968518 SBVGFIBPJHBHAU-IRXDYDNUSA-N 436.557 2.345 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1288217743 RHXXLOKQUGCDIF-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)Sc1ccccc1 1288672688 AXFMNCSYYVAYNT-SJORKVTESA-N 426.546 2.310 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@](C)(C(N)=O)c3ccccc3)C2)C1 1294686186 HUSKJYTTYPJIEU-UHECCDDYSA-N 426.517 2.290 30 10 IEEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(=O)/C=C\c1ccc(F)cc1 1295187540 QULGXRQPCYHLRB-WCIBSUBMSA-N 425.460 2.342 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)C(=O)OC 1297029769 NHTOHHKGEGWNPQ-STQMWFEESA-N 439.559 2.496 30 10 IEEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1 1297868237 GMRJTPYAGDUTGP-GOSISDBHSA-N 428.514 2.447 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1298209461 RLTZRXRZKNREIK-PMERELPUSA-N 428.562 2.079 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCC(C)C)C[C@H]1O 1299413516 OVHLZLNXUPINQE-WOJBJXKFSA-N 441.532 2.240 30 10 IEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1300408882 OESPNPFTBFFTNK-QGZVFWFLSA-N 430.553 2.084 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnccn1 1300762434 PKUDCTRFMAEWOD-UHFFFAOYSA-N 449.588 2.245 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301033434 ILFDGZNUZJVUNI-YWZLYKJASA-N 443.983 2.390 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301188457 JVZQZMLGCDZTLJ-QGZVFWFLSA-N 437.610 2.278 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301585305 LNSZEIHHBJCWCP-IBGZPJMESA-N 427.530 2.206 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N(C)C 1301970139 DNLXMWIFPYMLRI-RTWAWAEBSA-N 438.624 2.189 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1306527320 AJQDXZPYCIYEHI-QHCPKHFHSA-N 440.548 2.099 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cccc2C1 1308129040 YCNYIVUHZRUVPW-PGRDOPGGSA-N 431.558 2.350 30 10 IEEE C=CCCC1(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)CCCC1 1313004488 SGOJQFFNXSSRKD-KDURUIRLSA-N 442.626 2.194 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1314933708 HMDATKLTQXFFQV-UHFFFAOYSA-N 449.559 2.084 30 10 IEEE CN1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1c1ccc(F)cc1 1319486045 QDINQEAIJLZGJP-WOJBJXKFSA-N 430.505 2.193 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(C)(=O)=O 1358877033 VWRZREUWCSBYKA-NSHDSACASA-N 429.315 2.349 30 10 IEEE C#CCCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358917401 PQLQXWVUOXLAMR-NRFANRHFSA-N 438.594 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN(C(C)=O)C1 1358989497 DZRZVFCZVBWWKC-IBGZPJMESA-N 433.512 2.395 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359011394 VUXCAHHCMQRRTE-NRFANRHFSA-N 440.567 2.410 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1359013001 HAUGTDAODRNIRD-LJQANCHMSA-N 445.589 2.357 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359224524 UUYHETHQFAEKGU-IBGZPJMESA-N 429.546 2.423 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359225837 MPFSVDHBNDWBQO-KRWDZBQOSA-N 431.541 2.375 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1359303466 PLBCBYPVWMKCRZ-UHFFFAOYSA-N 437.548 2.003 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN2CCCO)C1 1359318910 OTSUFRHYHJADLT-PMACEKPBSA-N 426.565 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C)o1 1359334999 WYMKBPWZWIVBDE-UHFFFAOYSA-N 432.550 2.278 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1cc[nH]n1 1441888453 YESQETJLTISTIQ-UHFFFAOYSA-N 441.488 2.139 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)CCCC(=O)Nc2ccccc2C#N)s1 1446524053 HIEMIRYBJYUKLT-UHFFFAOYSA-N 434.543 2.132 30 10 IEEE C=CCOC[C@H](NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)C(=O)OC 1448491864 CHCFWEJPNPVCSQ-INIZCTEOSA-N 437.493 2.263 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC=C(c2cnn(C)c2)C1 1453164208 QSLPXDSRAFQYAO-LJQANCHMSA-N 441.557 2.333 30 10 IEEE N#CCSCC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1453830240 OTKXKKFQTQMPSB-UHFFFAOYSA-N 428.518 2.194 30 10 IEEE COc1ccc(OC)c([C@@H](O)CNS(=O)(=O)c2cc(Br)ccc2C#N)c1 1463158502 FIIWQFYFSSDNEO-HNNXBMFYSA-N 441.303 2.350 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1 1465259606 ZGLZAVABADIJTN-SFHVURJKSA-N 428.514 2.202 30 10 IEEE C#C[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1)C1CCOCC1 1470312011 NJOWZXKJYRTICW-LVVKNKJBSA-N 436.599 2.243 30 10 IEEE N#Cc1cnn(-c2ccc(C(=O)Nc3ccccc3C(=O)N3CCC[C@@H](O)C3)cc2)c1N 1471760972 APVMVGSHLGIGAG-GOSISDBHSA-N 430.468 2.175 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1471933052 JGOORVJHACRFOI-DVECYGJZSA-N 448.479 2.358 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[C@@](C)(C#N)C1 1473662744 LXPLDBLMKJVXMM-NRFANRHFSA-N 433.578 2.101 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CC1 1477803504 UCSORTXLFLUYNW-DEOSSOPVSA-N 426.561 2.240 30 10 IEEE CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C[C@H]1C 1502265142 KNWOXVFIVBRJAM-WWNBULGVSA-N 428.537 2.434 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc([C@H]3CCCO3)n2CCOCCCO)CC1 1505319761 JVIFSKKQAJAQRD-OAQYLSRUSA-N 440.548 2.117 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507558092 VLHCUUDUSXWXFM-RBUKOAKNSA-N 447.609 2.347 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1507588339 JZBNEJUXBMVUMA-IBGZPJMESA-N 427.574 2.229 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1507688519 CARNPSXLHRCFSF-LLVKDONJSA-N 433.481 2.163 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507745524 ZNWHOLRBROHQDY-SWLSCSKDSA-N 449.378 2.117 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1507757654 WSSYIXPHIGOTON-UHFFFAOYSA-N 443.573 2.195 30 10 IEEE C=C(C)Cn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1507836395 JPZHBERTMSLIOH-QPPBQGQZSA-N 441.576 2.362 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(OC)CC1 1508078982 MARVUQXFQCTUDW-JOCHJYFZSA-N 427.505 2.371 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1509795392 ZJVAZVJJQHZFJV-SXWKCWPCSA-N 448.612 2.414 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CCO1 1514137067 DBJZYXFAWFBOHU-IBGZPJMESA-N 429.546 2.257 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC(=O)N2C)cc1 1531354687 NHLSQXHZHPEZGW-PZJWPPBQSA-N 430.468 2.365 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)ccc1OC 1532954759 PSJMRXHHJLRAEC-LJQANCHMSA-N 427.526 2.495 30 10 IEEE C=CCn1ncc2ccc(NC(=O)c3ccccc3S(=O)(=O)CCS(C)(=O)=O)cc21 1538955801 BIPNAHHSHQLKSC-UHFFFAOYSA-N 447.538 2.293 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539230010 JSYPWKKKODMZJA-NHCUHLMSSA-N 442.585 2.117 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1539554160 VNUZXKSVXNNVGA-UHFFFAOYSA-N 437.909 2.220 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1539915910 GKLAHDUBQDTKOF-AWEZNQCLSA-N 435.541 2.305 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1540868775 RBRYWDQIYZPMCD-MRXNPFEDSA-N 441.923 2.292 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC)c2)C1 1540881958 YAMMKJIIEBSELT-SFHVURJKSA-N 441.532 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1540897192 CSIYLLMNIGIIQW-UHFFFAOYSA-N 444.483 2.374 30 10 IEEE COC(=O)CCN(C[C@@H]1CCCO1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1543789670 QDTCEBBSISKUAO-QKBUSNMPSA-N 449.548 2.344 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1547771066 GDQQWAZIEOODKZ-UZUQRXQVSA-N 439.564 2.465 30 10 IEEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C 1547838541 DMNGXRAXDXBMNT-VQTJNVASSA-N 440.548 2.219 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1587702133 OLGSPYPPLPWSPM-INIZCTEOSA-N 425.493 2.006 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1587765964 NGPSRWAUIIZWSZ-DLBZAZTESA-N 432.550 2.059 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1587879597 XEORTSHCJRANIX-QGZVFWFLSA-N 427.578 2.154 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588073763 DHSSHOBMULHWGV-HOCLYGCPSA-N 437.591 2.010 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(Cl)cn1 1588128528 NLMCXXHUZDFIAI-UHFFFAOYSA-N 438.875 2.206 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1588620628 ZNVQNHRTBVTJMA-UHFFFAOYSA-N 438.576 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCC)CC2)CC1 1588877141 WVQRAYMPAPIWMI-UHFFFAOYSA-N 426.565 2.060 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589097007 JZLYOXRYKFMDRN-LJQANCHMSA-N 431.606 2.205 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1589528872 JBWAIDFEOGXAMY-LPHOPBHVSA-N 446.577 2.120 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1594839546 NJKYEFWMCKXPTD-OAHLLOKOSA-N 432.491 2.082 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1595085254 SNCPJRMQXUVMRU-IBGZPJMESA-N 449.559 2.395 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595905017 AKBJGGTWUBJAPU-ZMMAXQRCSA-N 435.594 2.169 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)cn1 1596333013 QMFQSRACIBQFDH-CYBMUJFWSA-N 436.476 2.003 30 10 IEEE Cc1cc(I)cc(C(=O)N(CCC#N)CCN2CCOCC2)c1 1598066107 UGVCISJALNMAQG-UHFFFAOYSA-N 427.286 2.288 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1612977304 CPZFJEBNKXRRLF-QGZVFWFLSA-N 433.516 2.463 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCSC2)CCO1 1620354280 BAOLSOIHBDVKFX-DNVCBOLYSA-N 437.472 2.143 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1OC 1631591346 DLDWNOSHNPAHLM-GVDBMIGSSA-N 438.550 2.036 30 10 IEEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 1636915516 GNHBATPJKVUKEZ-FQEVSTJZSA-N 428.510 2.086 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)C2)nc1 1637843008 FDNPLAVRVZSILM-ZHALLVOQSA-N 426.498 2.121 30 10 IEEE CCO[C@@H]1CN(C(=O)c2cc(C#N)c(SC)nc2O)C[C@H]1CNC(=O)OC(C)(C)C 1640812529 KEVQFBQHUPGUEA-UKRRQHHQSA-N 436.534 2.383 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C[C@H](O)c1cccc(C#N)c1 1645382729 GHWHZYCEYFSVRV-UXHICEINSA-N 430.549 2.477 30 10 IEEE C[C@@H](CC(=O)NCCc1ccc2c(c1)OCCCO2)/N=C1/NS(=O)(=O)c2ccccc21 1645637035 CSOLEOWISTYUIL-HNNXBMFYSA-N 443.525 2.024 30 10 IEEE N#Cc1cn(C2CN(c3c([N+](=O)[O-])cnc4cc(Br)ccc34)C2)c(=O)nc1O 1651249474 NIQMUWSTEZZKCN-UHFFFAOYSA-N 443.217 2.101 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1657537704 CDOCLRLWUQCQPO-UHFFFAOYSA-N 429.498 2.041 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C3)CC1 1659881387 NUZOAGAJGQOAJI-WOZUAGRISA-N 447.624 2.304 30 10 IEEE C#CCN(C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1)C1CSC1 1670280196 UGFVLLLDVNUAQJ-UHFFFAOYSA-N 432.550 2.116 30 10 IEEE C#CCOc1ccc(CNC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1672951787 IAGAFCNSWOBZBM-MRXNPFEDSA-N 429.274 2.219 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)cc1 1673643111 CONOWDBMKHYAMU-JOCHJYFZSA-N 432.521 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682021116 AFNOBSNZJDIYMW-JPYJTQIMSA-N 441.532 2.358 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689987908 FFAZSJVKWRJBOT-NHCUHLMSSA-N 441.601 2.394 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1csc(COC)n1 1690015558 QLYHSBZJDBBJGV-UHFFFAOYSA-N 445.508 2.318 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2oc(CC)nc2C)CC1 1690154407 NFERFOUOGRXJHK-QGZVFWFLSA-N 426.521 2.003 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1690156381 WSYMOPADDBXUIF-JKSUJKDBSA-N 449.602 2.042 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)CCC)C1 1690245556 JWPICXWJKOOYFE-BNDYYXHWSA-N 430.597 2.379 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690466970 HRHXRISTUDNMIB-LJQANCHMSA-N 427.553 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690663664 CVYJMMGMJRLTLV-INIZCTEOSA-N 428.518 2.492 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690742052 FJLIQILJSYWVNA-HZPDHXFCSA-N 431.566 2.299 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1690928849 DXZBOPUVHUGTEU-IIBYNOLFSA-N 438.532 2.259 30 10 IEEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1693293341 LSGVYPMJGNBIOF-GOSISDBHSA-N 426.546 2.255 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 1696495957 KTJBBNHZOSCYHO-UHFFFAOYSA-N 428.518 2.376 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1ccnn1 1696848327 XPINJQLLKQFMCV-KRWDZBQOSA-N 448.304 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1705477186 KELFZCPNVRMSCA-KGLIPLIRSA-N 425.942 2.079 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2CC2)c1 1705503704 BZEGTYYKEVPCHD-UHFFFAOYSA-N 429.484 2.392 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(NC(C)=O)cc1 1705587653 DIYDTJBQQNYCEE-UNMCSNQZSA-N 435.528 2.276 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC(F)(F)C1(OC)CCOCC1 1705595434 SRYCLLDEUAXVAO-UHFFFAOYSA-N 430.459 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCn1c(C)nc2ccccc21 1705600948 RGEHNIHZSMNTEZ-UHFFFAOYSA-N 429.528 2.222 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1([S@](C)=O)CC1 1705629975 BKMGKBVFUUWISS-PMERELPUSA-N 425.558 2.347 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2CC(C)(C)C2)n1 1705631425 DOWYZLQGQYSOCQ-IBGZPJMESA-N 439.564 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705899029 GFLKNGPQBVOQQP-INIZCTEOSA-N 425.924 2.077 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nnn(C)n2)C1 1705917007 PYNMHIRLOCRZCV-HNNXBMFYSA-N 445.325 2.061 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(=O)NC)C1 1705921143 MFWLBJOTFXGLCN-KRWDZBQOSA-N 441.532 2.270 30 10 IEEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)Cc1ccc(F)cc1 1711209907 DVIZIHQYWLGOIO-LJQANCHMSA-N 425.512 2.240 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1711350740 BKWPETJZLAYFDI-WJOKGBTCSA-N 440.573 2.080 30 10 IEEE COc1cccc(OCCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1711939454 HUFJZSVGHVXSJT-NRFANRHFSA-N 434.500 2.470 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722300385 OJEHMFDLZQKZSJ-SFHVURJKSA-N 432.528 2.237 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCCS(C)(=O)=O 1722329425 GCEZTTDRMSPYHE-UHFFFAOYSA-N 426.546 2.415 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1conc1COC 1722353511 PIEKXWSTDNDADV-UHFFFAOYSA-N 447.499 2.317 30 10 IEEE C#CCN(c1nnc(COCC)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722371395 WASKISRHJIXEDO-JLAWEPINSA-N 438.594 2.037 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1722371922 MYZWTTHTTLRJAV-SFTDATJTSA-N 442.585 2.115 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 1722442098 SNWGWFGINFSLTE-UXHICEINSA-N 439.560 2.436 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1722599108 TZFFZNNZGSNMAG-PXNSSMCTSA-N 426.583 2.168 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722623555 ITPLKDNIYABHCQ-GOSISDBHSA-N 441.532 2.366 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](OCc2ccccc2)C1 1722700282 DJCYFYOYWLULQS-NRFANRHFSA-N 432.528 2.362 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722701215 JLIIMEYNNAKINJ-QYWGDWMGSA-N 431.562 2.005 30 10 IEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722740357 OCWAAKZTSAJVEL-MRXNPFEDSA-N 430.582 2.387 30 10 IEEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1740578865 MSOKBJOLPTVOEO-OCCSQVGLSA-N 427.481 2.212 30 10 IEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1740594826 CGJALTWRTSUQLB-CQSZACIVSA-N 432.322 2.345 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740638449 JKAZSAUVFGSGMV-GOTSBHOMSA-N 433.556 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccnc(-n2cccn2)c1 1740641943 ICIPCQIRMDIOIM-UHFFFAOYSA-N 428.525 2.336 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1740691955 DYTLBFNPBLSBJB-XMMPIXPASA-N 439.560 2.269 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740752715 ZUCGNZFLEHLRBE-VXNCWWDNSA-N 426.521 2.114 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740771661 LTNKHFQETGWNRE-OALUTQOASA-N 441.559 2.427 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCCOC1 1740790631 UJHNTHVLUPKXLT-SFHVURJKSA-N 438.536 2.376 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740792300 HDKMKPYBFRLNFQ-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740884964 RXKUBUSMXMCJBN-KRWDZBQOSA-N 427.553 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740952900 QLCNFIXHRVGJEL-OALUTQOASA-N 445.589 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@]2(CCSC2)C1 1740990980 LHNYQMQQOZXKFG-LPHOPBHVSA-N 426.608 2.454 30 10 IEEE CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1745905738 AXXOIDYZKRKNMA-RBUKOAKNSA-N 428.562 2.477 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1748817963 UCZBMWNWEARIMZ-NHCUHLMSSA-N 442.585 2.214 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1748821280 OCSIKDZAXZQAPX-FQEVSTJZSA-N 440.569 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)CN1CCOCC1 1748852368 CKGFKRRLJVDJNR-HXUWFJFHSA-N 430.556 2.391 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1748984179 HQNFMWRPPHOMLO-MHECFPHRSA-N 439.560 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccccc2)CC1 1749009486 RJIOREONOJGMMD-GOSISDBHSA-N 445.527 2.168 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCc1cnccn1 1749141374 BGPJAMWWQHVDAS-JYRKZWEQSA-N 442.564 2.452 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1749459516 LSWVYJIDMYEMEU-QHCPKHFHSA-N 443.523 2.230 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1CSC 1749678130 WWIVFRGAIPZJOE-KRWDZBQOSA-N 426.546 2.363 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1750379230 CQWCIKGIGPBPFW-YCRPNKLZSA-N 425.443 2.198 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncnn2C(C)(C)C)CCOC1 1751019038 SEXKOXQLBNMDRD-RTWAWAEBSA-N 446.531 2.155 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCOC 1760095424 OIJWYDXONSVRQF-GOSISDBHSA-N 425.533 2.354 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@@H]1NC(=O)NC1=O 1760173410 UOKGBVJRGKJHCC-ZFWWWQNUSA-N 426.546 2.189 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1760191392 GQNMPFUUUQSQHU-FQEVSTJZSA-N 442.589 2.267 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1coc(-c2ccc(C)cc2)n1 1760248196 DEKNOLKOPWDWPV-LJQANCHMSA-N 434.500 2.327 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1760253567 GAHOWYWTRUQSJD-SFHVURJKSA-N 429.590 2.193 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)C1 1760274005 FIVWUSJTQQQBBC-SJLPKXTDSA-N 433.603 2.249 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1760331199 DZOOFMBYMBMJCC-UHFFFAOYSA-N 439.593 2.372 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CC1 1760402384 LHHXDHSFTCMGQB-KRWDZBQOSA-N 430.578 2.092 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1760422186 JEKNFXDTXPZLLO-INIZCTEOSA-N 443.639 2.347 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1760464599 LCTADVPCBUIWQB-OAHLLOKOSA-N 435.516 2.077 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C)C1 1760558104 GLZKUUWWMXMBON-KRWDZBQOSA-N 434.562 2.245 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCC(=O)N1CCOCC1 1760804888 BKAQOLQNVYASDU-UYAOXDASSA-N 444.580 2.186 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1762716851 UYBSNBXJXBYLGZ-CALCHBBNSA-N 431.562 2.360 30 10 IEEE CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1764224326 UGIVBDDJMISNFP-OALUTQOASA-N 425.493 2.455 30 10 IEEE CCc1nnc(N(C)[C@H](C)Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1764697297 GUIOPVLZTWKOGA-YIYXVTKBSA-N 438.532 2.443 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1765561595 BSVZLLOYSHRTMM-FQEVSTJZSA-N 429.613 2.330 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccc(C)n1 1766408442 BMZHSKURNWDOMT-SFHVURJKSA-N 447.547 2.138 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC[C@@H](F)C1 1767930727 FXLVFARSCMSQPQ-DLBZAZTESA-N 430.532 2.193 30 10 IEEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCC1 1768205350 GSEIDCIFSNYKIZ-KRWDZBQOSA-N 438.532 2.355 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)c1 1768386731 ZPZIXWLHJIKYED-UHFFFAOYSA-N 436.472 2.144 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCO[C@@H]1C 1769846959 NDDHSUSAZXOBFP-VFNWGFHPSA-N 435.475 2.053 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Br)n2)C1 1771530896 WQSGOCFSYRKOJL-GOSISDBHSA-N 448.300 2.048 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1772891659 GXJWOERVEALXAN-OXQOHEQNSA-N 438.532 2.246 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(C(=O)N3CCCC3)C2)[C@@H]1c1ccc(C#N)cc1 1848980266 ONJWHXJLSUIHMW-SFTDATJTSA-N 440.569 2.033 30 10 IEEE CN(C)C(=O)[C@@]1(F)CCN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)C1 1851095716 DVWUNHPBUUJWJB-HSZRJFAPSA-N 441.482 2.491 30 10 IEEE N#CCc1ccc(NC(=O)CN2CCN(Cc3nncn3-c3ccccc3F)CC2)cc1 1851273460 LAUYWJHIPHLXBO-UHFFFAOYSA-N 433.491 2.229 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C(=O)C2)s1 1853613776 ZKHWMNOAQFXQNF-CQSZACIVSA-N 442.928 2.497 30 10 IEEE COc1cccc2sc(N3CC(C(=O)N4CCC[C@H](N(C)CCC#N)C4=O)C3)nc12 1854305765 ISNGPCLPGJKGOQ-HNNXBMFYSA-N 427.530 2.104 30 10 IEEE Cn1cnnc1C1CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1854664445 BIXSMBZHPIJYHN-GOSISDBHSA-N 426.908 2.155 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C2(CCCC2)C1=O 1856261694 OPQNAGANCKGQES-UHFFFAOYSA-N 429.420 2.291 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H]3CCCc4ccccc43)C(=O)O2)CC1 1856722163 QJZRXODPKCEDJG-OALUTQOASA-N 431.514 2.019 30 10 IEEE C=CCn1cc(O[C@@H](C)C(=O)c2ccc3c(c2)N(CC)C(=O)CO3)c(=O)cc1C(=O)O 1857890309 QTLMFAJKDCRMRS-ZDUSSCGKSA-N 426.425 2.128 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@H]2CO)=C(N)Oc2c1c(CC)nn2C 1865224620 ICCSJCPOWHFLND-HNAYVOBHSA-N 438.528 2.225 30 10 IEEE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](CO)C(=O)Nc1ccc(C#N)cc1 1867217403 MFMXYQMKDYPECP-FQEVSTJZSA-N 430.464 2.055 30 10 IEEE CC(C)(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc(Br)cc2)CC1=O 1870148718 AQIORVCVJHADTE-NSHDSACASA-N 431.294 2.487 30 10 IEEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 1874279474 BZFYMHNYDICAOY-VPNURPJOSA-N 433.534 2.073 30 10 IEEE COc1cc(/C=N/n2c(Cc3cccs3)nnc2SCC(N)=O)cc(OC)c1O 1874412019 XFTKTYBJVZLMLB-AWQFTUOYSA-N 433.515 2.113 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)n2)cc1 1890010440 MNUPYSARHQJSJN-OXJNMPFZSA-N 445.479 2.426 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 1901474857 PGMOVRSVVQYRIZ-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE Cc1nc(I)c(I)n1-c1ccc(C#N)nn1 1936398072 VLRYRPCUAMRKNX-UHFFFAOYSA-N 436.982 2.052 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2060626392 WOMJLNZIPUPCPX-HNNXBMFYSA-N 438.330 2.233 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060768864 BXVIBHRAZXARJD-RBUKOAKNSA-N 432.370 2.446 30 10 IEEE C#CCN(C)C1CN(C(=O)c2ccc(Br)cc2I)C1 2142038421 XSESPAVTWSYPCP-UHFFFAOYSA-N 433.087 2.443 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224128441 UUVTWPATSVCAAA-UHFFFAOYSA-N 434.298 2.270 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247918980 NTFQQCUTJQEFDB-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)ns2)OC1(C)C 2255833629 GKURKNXWCSCZRZ-QGZVFWFLSA-N 443.378 2.073 30 10 IEEE Cn1ncc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)c1CNC(=O)OC(C)(C)C 2258972931 DBGOVYZRQBEJAD-UHFFFAOYSA-N 432.330 2.200 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267266146 BDBGPBGSESOQKF-LSDHHAIUSA-N 446.357 2.246 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267529449 LRFMZGPZOYOZIP-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE CCON(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267591381 ATPJVECGZWFVLO-UHFFFAOYSA-N 447.341 2.394 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1 2267597375 PSMJCRVZPOIQRV-UHFFFAOYSA-N 448.369 2.253 30 10 IEEE Cc1cccc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267600757 LXRMYLFNNXFEQY-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872518 JNNFFOHTMMUIQC-GJZGRUSLSA-N 446.357 2.342 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](COCc1ccccc1)CC(=O)O 2269056979 FHQZITRMEUAZMD-GOSISDBHSA-N 442.321 2.114 30 10 IEEE C[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2300340518 SNUXKAMVVTUOFO-GFCCVEGCSA-N 437.371 2.428 30 10 IEEE COCCn1cc(C#C[C@H](O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cn1 2302030818 AZVVZGHQCORPLQ-SFTDATJTSA-N 429.517 2.352 30 10 IEEE CCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2320988559 DVBNKBRIDICSMX-UHFFFAOYSA-N 430.446 2.338 30 10 IEEE CCOc1c(Br)cc(C=Nn2c(C)nnc2SCC(N)=O)cc1OC 2321125820 JRBRGIMGFPNRCX-UHFFFAOYSA-N 428.312 2.216 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(N(C)C)cc2)cc1 2328371770 QGEPJUSWVLEKOF-UHFFFAOYSA-N 440.529 2.391 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2334257852 QYKAZTMUJCSWPF-LESCRADOSA-N 443.353 2.366 30 10 IEEE Cn1cc(C#C[C@@H](NN)c2cc(I)ccc2Br)cn1 2340445619 LOROULDZMDXOSH-CYBMUJFWSA-N 431.075 2.343 30 10 IEEE Cc1nc([C@](C)(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C2CC2)no1 433300937 GDKHYMCMCJBGEJ-SIKLNZKXSA-N 426.496 2.141 30 10 IEEE COc1ccc(Br)cc1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465183812 AQMUPZJXJLSFSX-CYBMUJFWSA-N 430.306 2.399 30 10 IEEE CC(C)c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 469171353 SBAYNFFAHUQTFB-UHFFFAOYSA-N 433.555 2.377 30 10 IEEE CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccnc(C#N)c1 476311138 FXOYNOGZOWOOLD-UHFFFAOYSA-N 443.529 2.438 30 10 IEEE N#Cc1cc(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)ccc1F 488667698 FLSUBJZDBKMEBF-UHFFFAOYSA-N 442.451 2.387 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 497636423 GKBKTZGJQMPABB-UHFFFAOYSA-N 440.569 2.270 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccoc3)n2)CC1 523086543 HRRPWGWLRUPSIT-UHFFFAOYSA-N 442.522 2.350 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 523651637 ACDVVSCIIJLHRK-UHFFFAOYSA-N 428.897 2.350 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccccc3n2Cc2cccc(OC)c2)C1=O 524375169 ATQGMXXGENVFSX-UHFFFAOYSA-N 447.451 2.009 30 10 IEEE C=CCn1c(Cc2noc(-c3ccc4cc(OC)ccc4n3)n2)nnc1N1CCOCC1 546344871 KPOJCTNRSICFNS-UHFFFAOYSA-N 433.472 2.498 30 10 IEEE N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)ccc1OC(F)(F)F 549775497 DWCDYRHPQGKRHO-LRDDRELGSA-N 441.406 2.079 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 573240809 BEAAKKMBWWVDRH-UHFFFAOYSA-N 426.498 2.039 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCO)Cc1cccc(C#N)c1 586151055 QAFAZMYZVVCPGI-UHFFFAOYSA-N 443.525 2.267 30 10 IEEE Cc1cc(Br)cn2cc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)nc12 586865013 YLLYPODXBRBRLK-UHFFFAOYSA-N 444.264 2.349 30 10 IEEE Cc1csc(CCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 608916023 SARVKOYFLXABAS-UHFFFAOYSA-N 447.586 2.362 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CCC(=O)N2C)cc1 609658912 IJZHGNRQQDQOLU-IRLDBZIGSA-N 433.512 2.220 30 10 IEEE N#Cc1c(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)nc2n1CCS2 609814471 DEQBPLYWCKLPGO-UHFFFAOYSA-N 448.302 2.377 30 10 IEEE Cc1cc(=O)c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nn1-c1cccc(Cl)c1 744007300 FADDZQVIJNKEGA-UHFFFAOYSA-N 442.884 2.326 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 748064564 VBSWUDIVIISVMO-UHFFFAOYSA-N 432.549 2.430 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C(=O)O)CCOC1 757303405 CKLKXQBAVAIDQG-BWKNWUBXSA-N 448.475 2.277 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2OCC)c1=O 758083170 KAKHLAISIAMKGI-UHFFFAOYSA-N 444.512 2.336 30 10 IEEE C#CCN(C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 774191372 XZFDMWSHQQLMEF-NQIIRXRSSA-N 436.537 2.495 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)N2CCN(CCO)[C@H](C)C2)c(C(=O)OCC)c1C 779443174 GWVRSVXRGJGJJP-CYBMUJFWSA-N 439.534 2.106 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 780203745 DKTXQSBCOWOYQF-KRWDZBQOSA-N 426.429 2.256 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1nnn(C)n1 782816495 UVUQJVYURSJJLZ-SFHVURJKSA-N 449.540 2.357 30 10 IEEE C#CCSCCNC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 788797004 JEZOBCJVGOMYCS-QZTJIDSGSA-N 431.558 2.336 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1 799014979 NOMUBOMIDBOAHV-UHFFFAOYSA-N 447.944 2.018 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C2CCC(NS(=O)(=O)CCCCC#N)CC2)CC1 812531839 ZNMUBRAVFFVNNE-UHFFFAOYSA-N 428.599 2.464 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812924149 GPFBGJMVOHDHHQ-SFHVURJKSA-N 435.452 2.482 30 10 IEEE C[C@@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1sc2c(c1C#N)CCC2 857968155 FLHHWCSWUIRMKN-MRVPVSSYSA-N 425.513 2.001 30 10 IEEE C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1=S 874069331 VVUSGQVFTHZWRB-SFHVURJKSA-N 428.562 2.190 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 920245763 UBRIKVSZKHJLHI-DARPEHSRSA-N 438.509 2.453 30 10 IEEE COc1cc(NS(=O)(=O)c2ccc(N=Cc3ccc(O)c(O)c3)cc2)nc(OC)n1 1084024291 HSBLEVQYCOPOEM-UHFFFAOYSA-N 430.442 2.456 30 10 IEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)nn1 1129930260 FNMLIJLXGWAIRL-UHFFFAOYSA-N 431.562 2.305 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)CC2)c(F)c1 1133340951 WINIJXNRMOXSMA-UHFFFAOYSA-N 442.472 2.278 30 10 IEEE C#CCN(C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C1CCN(C)CC1 1134042733 AQGNZJGKRIIIJM-SFHVURJKSA-N 430.553 2.020 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1136185726 LSJJGOITJVYUSS-UHFFFAOYSA-N 429.498 2.047 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cccc(C#N)c2Br)C1 1136517039 QKEUIXUFZZDXMM-AWEZNQCLSA-N 436.306 2.194 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(I)cc2O)CC1 1141568678 JPPQQAICGVEXGN-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE Cc1nc(SCC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c(C#N)c(C)c1C 1148078037 ALPWEYYOLIFOOM-UHFFFAOYSA-N 436.584 2.264 30 10 IEEE Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1178460416 JACHTZWUZCRGSM-WOJBJXKFSA-N 434.479 2.274 30 10 IEEE C=CCc1cc(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc(OC)c1OC 1225351101 UEVULLPIGACDHA-QGZVFWFLSA-N 446.525 2.466 30 10 IEEE COc1cc(CNC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)ccc1C#N 1248505758 RUCBNBGBQDSFRP-VCHYOVAHSA-N 437.481 2.498 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)CC2)cs1 1251988263 HSOBWWROLKFSDB-GOSISDBHSA-N 445.570 2.417 30 10 IEEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1264769037 DJAPLBCZVWXNGX-UGKGYDQZSA-N 449.555 2.144 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC(F)F 1286279952 YRIDVWHYYIKYDF-UONOGXRCSA-N 441.504 2.190 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286389792 QYRIRFMDWQNQCN-CRAIPNDOSA-N 432.521 2.389 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286392694 MUKQMTSOHAZIIK-SFTDATJTSA-N 440.569 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(OC)C1CC1 1286410325 ZPUQFAVYWFHUJD-QFIPXVFZSA-N 440.573 2.126 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCC=C 1286410479 TZVJSUCJCCKUFI-IBGZPJMESA-N 443.548 2.252 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCCN(C)C)c1 1286438869 KBBSULNUYRZRDT-UHFFFAOYSA-N 431.544 2.130 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccsc1 1286461991 BUIKXRHPCNEGCR-UHFFFAOYSA-N 444.586 2.434 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC)C1 1286556089 NIRHADUZXYKJQN-JTJHWIPRSA-N 430.597 2.379 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCS(=O)(=O)CC 1286566659 SLTXLUZXQONNGE-UYAOXDASSA-N 433.578 2.116 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1286578007 DFCSIZYMCSRWKT-SFHVURJKSA-N 431.562 2.278 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1286594041 XWYAHVHLAYMLEO-SFTDATJTSA-N 441.576 2.310 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCCCC2)C1 1286789553 HUABVJSEMHKSAI-UHFFFAOYSA-N 430.578 2.476 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286792159 OHFIBLIFGLVUCZ-ZWKOTPCHSA-N 441.532 2.031 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC[C@H](SCC)C2)nnc1[C@]1(OCC)CCOC1 1286793069 QIPLJZFXKBYLAS-UWJYYQICSA-N 437.610 2.344 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1286913769 YPXUVBRWAYTCTK-HXUWFJFHSA-N 436.516 2.180 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)CC2)cc1 1287696672 BYTZTCXGCHBPPJ-UHFFFAOYSA-N 439.537 2.230 30 10 IEEE CCc1nnc(N(CC)C[C@@H](O)c2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1292873483 BWEZOKLTUYSNRU-LURZSEBBSA-N 438.532 2.235 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296123830 CNHLPQYKJHLZGS-FDDCHVKYSA-N 436.539 2.285 30 10 IEEE Cc1nccc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)n1 1296200855 WUEZYHZSLDYCRU-FRIYVGAWSA-N 440.548 2.221 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCO[C@@H](C)C1 1297274820 DSSGYJVUGNTEGW-HKUYNNGSSA-N 425.537 2.223 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1299187584 HQFNBQJRLUURCK-SFHVURJKSA-N 442.493 2.123 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1c[nH]nc1C 1300618888 OLLYXVUIKDDMQT-UHFFFAOYSA-N 440.577 2.362 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1300696222 VQEMWLKIISZRFO-XMMPIXPASA-N 434.519 2.451 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1300769364 FBCSOSXURUCTMY-UHFFFAOYSA-N 438.557 2.154 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCNC(=O)C(C)C 1301491991 UJDPTGTWLKBFAO-UHFFFAOYSA-N 435.532 2.004 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1301528589 CHORWHJQTQLVAL-UHFFFAOYSA-N 433.516 2.415 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1301555238 AEAUDXYWZBAWGQ-MSOLQXFVSA-N 432.546 2.015 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccco1)N1CCCC1 1301970557 GSPOBPRQEISHQI-MSOLQXFVSA-N 425.537 2.426 30 10 IEEE COC(=O)CCN1CC[C@H](N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1308123552 AWDNIZSOICOXKK-BBBLOLIVSA-N 438.315 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCOC2)C1 1340088380 IHWUBZDHJZXQRV-DLBZAZTESA-N 446.577 2.056 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC1CC1 1358876712 PDOWJXIUNYYUGL-GFCCVEGCSA-N 440.367 2.318 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=C(COC)CC1 1358922805 RONXGHTYXGOWQU-UHFFFAOYSA-N 443.573 2.392 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCN(C(C)C)CC1 1359011960 SHENDHXKGQTLSR-UHFFFAOYSA-N 435.576 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSCC(C)C)CC1 1359044148 XAHFRWUPOSLDTF-UHFFFAOYSA-N 429.594 2.034 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1359064354 QUTXSPIFJCSBNP-IIBYNOLFSA-N 431.562 2.132 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1359259895 LPFSIEVKMBDXGM-HNNXBMFYSA-N 447.540 2.002 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCOC[C@@H]1C 1359335164 CGAJSTRGOCNWPI-KRWDZBQOSA-N 434.562 2.245 30 10 IEEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1438344814 GZDSGLDWZGPIHV-UHFFFAOYSA-N 442.466 2.466 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)Nc3ccc(C(=O)N4CCOCC4)cn3)CC2)c(F)c1 1438733223 HSMIAMJYJFSXPZ-UHFFFAOYSA-N 437.475 2.420 30 10 IEEE C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2N1 1448842386 IZEXAOXKDNQVER-CSMYWGQOSA-N 428.443 2.296 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1=O 1459213438 XVCKVXYFSHGIML-JSGCOSHPSA-N 443.422 2.161 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(Br)cc3Br)C[C@H]1CS(=O)(=O)C2 1463164621 UOECDAXOKUOVLX-LKFCYVNXSA-N 448.136 2.222 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C(=O)OC[C@H]2C1 1465793422 RHVZFBUXNYTIQG-AEFFLSMTSA-N 426.473 2.056 30 10 IEEE COC(=O)c1sc2c(c1Br)CN(C(=O)CNC(=O)c1ccc(C#N)cc1)C2 1470537649 BFCZONDZPQQTBB-UHFFFAOYSA-N 448.298 2.441 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCN(CCC(=O)OC)C1=O 1472934190 AXPYPOQFFYOJAY-INIZCTEOSA-N 434.493 2.438 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCC(C)(C)C1 1499164033 GXVGGFLIFBTLDW-GOSISDBHSA-N 437.596 2.339 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1c(C)noc1C 1499328359 GELOXOWCELTNEX-HXUWFJFHSA-N 449.515 2.291 30 10 IEEE COC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1)OC 1504586919 ATAKEEJRXOUWMK-QGZVFWFLSA-N 443.552 2.202 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507581729 VWPWRIAIYVMBCV-KRWDZBQOSA-N 440.573 2.320 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507780410 BKFGNUVEAQUYMC-LJQANCHMSA-N 427.306 2.442 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1507790692 BSGZUDQFTKGNON-ZCNNSNEGSA-N 430.597 2.462 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507871930 BYODJVLUGIYTDI-UHFFFAOYSA-N 445.886 2.335 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1507958527 DZNBJENXPZYERW-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507959240 KKUPRUXKNCUPDM-HXUWFJFHSA-N 425.533 2.365 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1508010260 OXKVGOSDFCPLMC-UHFFFAOYSA-N 438.580 2.130 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCc2cccs2)CC1 1508079869 FWJDZWWKSHKJBN-UHFFFAOYSA-N 425.562 2.002 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1508089845 ZVOWTOLLERJRHS-UHFFFAOYSA-N 428.924 2.074 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(F)(F)F)C1 1508116427 RTEFTBZGXZBUSM-CHWSQXEVSA-N 425.477 2.012 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508390683 XERYNBJZPUBDGY-HXOBKFHXSA-N 438.532 2.117 30 10 IEEE Cc1noc([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C2)n1 1511951052 GGDHJDUJOMLBPB-IBGZPJMESA-N 437.504 2.291 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)CC2)C1 1514850898 FFKZWYLJNGREMA-OAQYLSRUSA-N 437.592 2.317 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC#N)CC1 1516847489 NZRJBBSYIUOIOP-UHFFFAOYSA-N 437.957 2.063 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC[C@H]2CCCO2)cc1 1521090162 RCDCXTCVYLAXEZ-VQTJNVASSA-N 438.532 2.104 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539071932 HHUCETKGBBHRAQ-WMZOPIPTSA-N 430.578 2.231 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCOCC1(C)C 1539272822 CNKCLHQXIVYMJV-UHFFFAOYSA-N 430.556 2.465 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCSC1 1539337661 PTLLLZOMAVPQDI-JOCHJYFZSA-N 426.542 2.197 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1539461359 DWOOYEXVBCUJMJ-LJQANCHMSA-N 432.519 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCNC(=O)C(C)C)CC1 1539474771 YBFQMKBDJMDUBI-UHFFFAOYSA-N 436.560 2.073 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539801925 LRXDIFGSGXUCPO-HZPDHXFCSA-N 433.944 2.322 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1540905426 WCUMNBKUQIMHIS-IAGOWNOFSA-N 437.635 2.450 30 10 IEEE CC(C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541371494 ZZYRIYPWMIJZAS-VGVBMJIYSA-N 426.477 2.099 30 10 IEEE Cc1cccc(CCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1542646913 FRUCCHDMODUWAK-NFBKMPQASA-N 440.548 2.384 30 10 IEEE CCCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C#N)C1 1547247798 ICDYVBYJFJHBDZ-QFBILLFUSA-N 442.520 2.072 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCSC1 1555100935 BDEXDYNOZNCKGX-WOJBJXKFSA-N 433.509 2.176 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)ccc1F 1556691459 LHYGCUAPUZTFPF-CQSZACIVSA-N 429.514 2.323 30 10 IEEE C[C@H](CC(=O)N(CC(=O)OC(C)(C)C)C1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1557292147 BHSSQUBBTLAEFU-CQSZACIVSA-N 435.546 2.227 30 10 IEEE CN(C)CC#CCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1557899134 FCLGNWGQVDVYAL-UHFFFAOYSA-N 425.496 2.231 30 10 IEEE CC1(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CCN(c2ccc(Cl)cc2C#N)CC1 1558048535 HHFDSRKXNXSHNT-GOSISDBHSA-N 444.963 2.308 30 10 IEEE COc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N1CCCCC1 1560060393 MADFXHQMXIZBHP-SJLPKXTDSA-N 434.562 2.432 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)c4ccccc4C3)CC2=O)cc1Cl 1567886430 FZXDLWUZHODVOQ-MRXNPFEDSA-N 443.912 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1584012692 MPWJPBYMGJMYIQ-GAJHUEQPSA-N 442.516 2.053 30 10 IEEE N#Cc1cn(CC(=O)Nc2csc(-c3ccc(Br)cc3)n2)c(=O)nc1O 1585815047 CECLYDXNUXFDEP-UHFFFAOYSA-N 432.259 2.345 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1csc(C(C)(C)C)n1 1588574328 DKOJVDCTZBOBGB-UHFFFAOYSA-N 432.594 2.499 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595570159 ZAWPHJNBCMVTDL-ICSRJNTNSA-N 438.576 2.047 30 10 IEEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1616176482 DNOJLSNGFMTJDP-QHCPKHFHSA-N 440.548 2.116 30 10 IEEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1617164956 LDDDENHZJMRXLW-UHFFFAOYSA-N 439.564 2.037 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)cc1B1OC(C)(C)C(C)(C)O1 1618569250 AWKPPIVLUHBBQR-UHFFFAOYSA-N 444.362 2.180 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1620044444 ZTGKHEFNNNDQIW-SFTDATJTSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(NC(C)=O)c1 1620100122 ZMXSGKCFVUMXRD-JLMWRMLUSA-N 442.495 2.451 30 10 IEEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1620165617 FMXOJROWEJOCDN-FQEVSTJZSA-N 441.557 2.382 30 10 IEEE N#CCC1CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1620357529 IOOUSQUWNFTMLQ-SFHVURJKSA-N 448.506 2.348 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1623821725 OINMHGRNFOOEFD-IBGZPJMESA-N 449.548 2.440 30 10 IEEE N#CCCN(Cc1ccccn1)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1627321068 AVAYGXFHBAHHGW-UHFFFAOYSA-N 427.511 2.249 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)c1 1629135290 IOSOGGQKKNHBDV-NRFANRHFSA-N 440.521 2.023 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)c1 1629288673 XGPSLMYOGMWDKZ-UHFFFAOYSA-N 435.918 2.361 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)CC2)nc1 1630896357 UCENYUNBWNCJQH-UHFFFAOYSA-N 439.273 2.138 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1633172331 OJFFVSZSOYSQNG-UHFFFAOYSA-N 431.489 2.431 30 10 IEEE COCc1ccc([C@@H]2COCCN2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)o1 1634109141 WSXOJTSQIDLNHI-PVAVHDDUSA-N 434.493 2.268 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 1639265598 TVGOONMLDLRHAK-IBGZPJMESA-N 431.496 2.361 30 10 IEEE C=CC1(CC(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)CN(C(=O)OC(C)(C)C)C1 1639899410 DOLFBFUNPXCSJW-BJLXPSRBSA-N 436.578 2.348 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC2CCC2)CC1 1640159578 FRAJLQBEKHIHGW-IBGZPJMESA-N 432.590 2.417 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CCN3CCOCC3)CC3CC3)C2)C1 1641198318 PTSVGHFSGBJVBE-VIHQBZHPSA-N 446.592 2.344 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)N3CC(Nc4cccc(C#N)c4)C3)CC2=O)cc1OC 1641580629 RIQAYXUYCRIMGG-LJQANCHMSA-N 448.523 2.289 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1641797239 TWUBBCYZXWZSMB-VNLRXTSXSA-N 431.374 2.359 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 1644248023 SWLYTAJYZLSUOM-AABGKKOBSA-N 429.565 2.005 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2nnc(-c3c(F)cccc3F)s2)cc1 1648569103 AFYOPSOCXAANBH-UHFFFAOYSA-N 435.437 2.272 30 10 IEEE N#Cc1cc(C(F)(F)F)cc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)n1 1651549399 DGMJSHAGFNSKHB-UHFFFAOYSA-N 425.455 2.027 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 1651606713 ZKKGMDMIWNEIDB-NOLJZWGESA-N 447.479 2.366 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1nnc2n1CCCCC2 1654069951 HUSJCBYNNXKJRS-SJORKVTESA-N 427.578 2.126 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)cc1 1662091010 SISDWIYMXJEQLT-RTWAWAEBSA-N 428.510 2.123 30 10 IEEE N#Cc1cc(NC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(F)cc1F 1672603270 AUQNPXCNGYVBSB-UHFFFAOYSA-N 430.440 2.256 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H](C)C1 1689847303 WUZSRBBPYOTZHF-ZWKOTPCHSA-N 443.621 2.428 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1689930476 SHQQANBXQYGIRQ-INIZCTEOSA-N 449.527 2.198 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1689992629 NJRSOMOKGAZGOU-QGZVFWFLSA-N 435.619 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OC1CCCC1 1690045987 UZPZXHNNOSYXBS-FQEVSTJZSA-N 432.528 2.457 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1690206340 OBWNLGJAJAJWGE-XMSQKQJNSA-N 449.621 2.429 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690350930 BFOKVAJKNXTRBI-INIZCTEOSA-N 426.974 2.296 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1690670952 MLVDWGVDDGXPDA-MAUKXSAKSA-N 431.924 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690722926 BAJMNLVKFWQAHO-QFBILLFUSA-N 431.562 2.253 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1691315860 WECQAHBHKTZVSB-KRWDZBQOSA-N 426.521 2.246 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC1(C(N)=O)CCCC1 1698241952 SCYGHRVLZSTLQP-IRXDYDNUSA-N 430.553 2.178 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705522579 JFNWJAOGIQGCFV-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705530435 XNARYRLOEOHVGG-GOSISDBHSA-N 443.573 2.371 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@@H]1CCOC1 1705584906 CKROOGJBWCJEKJ-HSZRJFAPSA-N 446.599 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[S@](=O)C(C)(C)C 1705590807 XBDCIFUKWKLOSM-CHJDUVSTSA-N 434.606 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CC 1705595686 BVVXDPQAIFGEEL-IBGZPJMESA-N 443.555 2.139 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1705602843 HFQISZZXADBJND-UHFFFAOYSA-N 427.472 2.014 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(SC)CCN(C)CC2)CC1 1705650071 KVACPIHERKUPDQ-UHFFFAOYSA-N 444.649 2.024 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)OC)CC1 1705653117 ZKFJLCXNACRYFZ-BHIYHBOVSA-N 431.581 2.197 30 10 IEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1705655308 AKGZMFYFNJARTP-UHFFFAOYSA-N 443.573 2.386 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1705743334 UPNMMXLHSWPVLC-NRFANRHFSA-N 438.576 2.096 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1705833697 QOWWGXHHZNUTHF-UHFFFAOYSA-N 444.845 2.162 30 10 IEEE CC(C)(C)OC(=O)NC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)COC1 1706162176 SYTZKWXXJLZPHX-QGZVFWFLSA-N 446.552 2.206 30 10 IEEE COCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1712393436 KWARVQYKVWSPHW-MRXNPFEDSA-N 437.504 2.001 30 10 IEEE CSC1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CCN(C)CC1 1712756130 WRROFMZKVWQVTO-HNNXBMFYSA-N 445.593 2.429 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722307275 SUZQKSLAQMABLN-MRXNPFEDSA-N 429.525 2.304 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722363786 CEUJFOSMVLTERR-UGKGYDQZSA-N 448.564 2.186 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1722370691 MKEWIPFXPFLKIK-FQEVSTJZSA-N 435.528 2.014 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cccs1 1722407167 FAQOTJCPAHMROF-OAQYLSRUSA-N 434.529 2.350 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722534487 PUZUGYARNGEMBX-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1722603458 JKRMIIGLMIEDSB-AWEZNQCLSA-N 439.504 2.356 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)C1 1722718800 NCWCKARIYICLMJ-QZTJIDSGSA-N 438.594 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCOC[C@H]1C 1722729926 BITGYCZOZXLLMB-QGZVFWFLSA-N 429.546 2.107 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722857066 GNIQHAKNSWWYQR-LJQANCHMSA-N 448.531 2.494 30 10 IEEE COCCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1730617859 BCMHBHANDZKBQT-UHFFFAOYSA-N 449.563 2.335 30 10 IEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCNS(C)(=O)=O 1740581952 HPOLPBZTBBQGSB-UHFFFAOYSA-N 446.396 2.168 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H]1OC 1740602496 NLFUMHOWFWDNGC-IEBWSBKVSA-N 431.562 2.080 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1740619998 BIUHHGOCGMATKG-SJORKVTESA-N 432.546 2.005 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740858926 BMQMFMCMEFBQOI-UHFFFAOYSA-N 425.581 2.384 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1745793811 GTYUGGQOWMKFRK-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)C)CC1 1747441294 DZFNQNPIXIPLOS-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 1748723829 AEJURCHHCAATSL-QGZVFWFLSA-N 428.562 2.178 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCn1cc(Br)cn1 1748785321 RZODTEALUZOPPK-UHFFFAOYSA-N 446.309 2.125 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749690584 UKPIMLLOIJNNAC-OALUTQOASA-N 446.573 2.409 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750680634 IOYOHDMOZQBGSF-SKQREZPOSA-N 430.553 2.254 30 10 IEEE C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1751140207 HQVYQEQSFIQOKP-QMHKHESXSA-N 434.548 2.272 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCC1 1760101413 PFXHMDPUTAHRIE-KRWDZBQOSA-N 443.621 2.490 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760161703 NXRCXZPHQWYMQE-WOJBJXKFSA-N 428.581 2.066 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1c[nH]c2cc(F)ccc12 1760242379 BGTCYNDPNAIXSE-UHFFFAOYSA-N 438.507 2.463 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C2CC2)CC1 1760254930 QEXNHTNVLKSYJP-GOSISDBHSA-N 447.381 2.226 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@](C)(O)CCOC)CC1 1760263435 AWFVQZGKFBIIDH-QHCPKHFHSA-N 443.617 2.422 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2c(C)noc2C)CC1 1760264408 MMCAQVKNJBXFOG-UHFFFAOYSA-N 445.527 2.332 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760275820 JSJZLVOCARHTSG-HXUWFJFHSA-N 442.501 2.251 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1760287599 YDVSKZLCZOTLIS-HSZRJFAPSA-N 440.523 2.286 30 10 IEEE C=C(Br)Cn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760308339 ATGYBESEYFYZOW-WMLDXEAASA-N 439.402 2.128 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)CCS(C)(=O)=O)cc1 1760530350 NZGUIPPNTSTKDQ-UHFFFAOYSA-N 427.530 2.434 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1760532139 LYJAITJAOXRGLX-GOSISDBHSA-N 441.532 2.419 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1760553572 VWHASHLEGMGTNQ-XUVXKRRUSA-N 441.557 2.136 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1761284495 RHRPWVRVSZOEKA-FGZHOGPDSA-N 448.543 2.163 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@@H]1C 1764122844 FSNHBDCIHCJSLK-KRWDZBQOSA-N 431.585 2.047 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N 1766717001 JQRUCZKIFLFKEB-OAHLLOKOSA-N 429.550 2.494 30 10 IEEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1770408271 ATNOUOOJYKANRD-HNNXBMFYSA-N 434.591 2.040 30 10 IEEE CO[C@@]1(C(F)(F)C(=O)ON2C(=O)c3ccccc3C2=O)CCN(C(=O)OC(C)(C)C)C1 1772794348 IPTWHVGJBHBNRI-IBGZPJMESA-N 440.399 2.402 30 10 IEEE N#Cc1cn(-c2ccccc2)nc1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3 1851988358 VUMKQWSUEYJEFG-UHFFFAOYSA-N 427.468 2.461 30 10 IEEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1 1852284112 OKNUGCFSUBLECQ-UHFFFAOYSA-N 437.953 2.373 30 10 IEEE C[C@@H]1CC(=NC(=O)[C@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)NN1c1ccc(Cl)cn1 1852613733 HCEISSJTNRVWCJ-SJKOYZFVSA-N 443.866 2.386 30 10 IEEE NC(=NOCCC(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1)c1ccc(F)cc1 1853408040 XVOWDOJXGZDJSV-SFHVURJKSA-N 437.475 2.426 30 10 IEEE C=CCN([C@H]1CCCN(C(=O)c2cc(-c3cccs3)on2)C1=O)[C@@H]1CCN(C)C1=O 1853829709 YMLAWYAQMPXLHP-JKSUJKDBSA-N 428.514 2.253 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CC(F)(F)F)C(=O)C12CCCC2 1856264658 BTWZODPUADKISK-UHFFFAOYSA-N 429.420 2.183 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)n1cccn1 1856993845 AJWRMMRTDYFNRA-DOTOQJQBSA-N 428.514 2.289 30 10 IEEE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)CC1=O 1857294336 QHTANYFGOABNBL-LPHOPBHVSA-N 428.920 2.364 30 10 IEEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1870107080 RCUJQDVQTPPCFZ-OAHLLOKOSA-N 428.452 2.438 30 10 IEEE N#Cc1ncccc1OC1CN(C(=O)C2CCN(C(=O)NCc3cccs3)CC2)C1 1891603707 LAKRJFGQHPLYGP-UHFFFAOYSA-N 425.514 2.226 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)CCN1Cc1ccccc1 1914763468 KSIZKRPTHAOSRO-DNVJHFABSA-N 432.524 2.341 30 10 IEEE CC(C)(C#CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)NC(=O)OC(C)(C)C 2023919445 WLNNFTWXFUYADR-CVEARBPZSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2061712458 XPWILVZKVLOVEU-OTVXOJSOSA-N 432.330 2.408 30 10 IEEE C=CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(Br)c1=O 2122555435 WSYXDNQCBABQAT-QWHCGFSZSA-N 429.315 2.238 30 10 IEEE C[C@H](CCS(C)(=O)=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172782938 YINJVOWIBCEAMG-GFCCVEGCSA-N 447.204 2.403 30 10 IEEE N#CC1(CS(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)CCCCC1 2174779812 NHBTUWHTDRDPIZ-LJQANCHMSA-N 435.546 2.417 30 10 IEEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2235731647 QWDFARPCGQDEEY-MBOZVWFJSA-N 439.350 2.433 30 10 IEEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247880923 NPDAAROYTBRZJS-UHFFFAOYSA-N 431.367 2.486 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247881319 WAPHKCASVXSJTM-UHFFFAOYSA-N 440.371 2.131 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2247962512 OJVYCXMZOWVTRV-HZPDHXFCSA-N 442.387 2.445 30 10 IEEE CC#CC[C@@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(=O)O 2248463283 OKXUGVHTEJXQFU-GOSISDBHSA-N 430.501 2.423 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255650871 RTZRAZCMNPAQPN-UHFFFAOYSA-N 435.305 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255809151 SVZBUKFLCFGKSX-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256895327 VNCJHLNATKQXNP-OAHLLOKOSA-N 437.321 2.250 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258953799 GGXKDBDYYDXATC-UHFFFAOYSA-N 432.330 2.200 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(N)=O)CC1 2266726101 MRNISZNBJQISJQ-UHFFFAOYSA-N 447.341 2.015 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2267232437 RFOOEKNMPUVZNA-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263537 HJDZABOQEIJABP-CABCVRRESA-N 446.357 2.151 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CCC1 2267492527 SZYURSLPWQTEID-UHFFFAOYSA-N 448.373 2.144 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267515181 KPBNMFNAPGMSNP-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CCn1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039132 QNUIQRIQBYLALH-IBGZPJMESA-N 449.364 2.052 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)c(OC)c1 2296610757 MSLOUULXIIYXAJ-HXUWFJFHSA-N 425.485 2.472 30 10 IEEE COc1ccc(Cc2nnc(S)n2N=Cc2ccccc2S(=O)(=O)O)cc1OC 2322193106 YQZHCYGQIOLPGD-UHFFFAOYSA-N 434.499 2.304 30 10 IEEE C=CCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)S/C1=N/c1nnc(C)s1 8766243 LPQPOHIPQHGXDO-UNGFROSVSA-N 441.494 2.438 30 10 IEEE C=C[C@@](C)(CO)N1CCO[C@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1 34691567 QDAZPQLCVQVLPE-QUCCMNQESA-N 430.467 2.432 30 10 IEEE C=C[C@](C)(CO)N1CCO[C@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1 34691568 QDAZPQLCVQVLPE-UYAOXDASSA-N 430.467 2.432 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2cccc(F)c2C)n[nH]1 59887756 ZNTBDWFDGLMHRY-ZVBGSRNCSA-N 446.512 2.235 30 10 IEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 102753020 SSHFZSQJHRTPIO-SADKCHQCSA-N 438.528 2.181 30 10 IEEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)c2ccccc2)cc1 254737690 WEASYKWSJCLVHD-QGZVFWFLSA-N 434.456 2.024 30 10 IEEE COCCCNC(=O)C1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 303012735 PBQSDZXCJGHFRC-UHFFFAOYSA-N 439.478 2.038 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 409580950 INPBXPLNBQOPIS-MRXNPFEDSA-N 437.497 2.162 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 409725380 HDSZKTBRBMZXBN-HOCLYGCPSA-N 443.529 2.402 30 10 IEEE COc1ccc([C@@H]2NC(=O)N([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)c(OC)c1 431631106 BFQBXMKZNISQIP-ICSRJNTNSA-N 434.452 2.364 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1Br 433348361 UWXUZKRWCJMTEH-UHFFFAOYSA-N 436.335 2.432 30 10 IEEE COc1c(F)cc(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1S(N)(=O)=O 436360040 FOOHFNKVGDEFCT-FUHWJXTLSA-N 431.489 2.323 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 460383340 HVVVNPSVHGCCKA-OAHLLOKOSA-N 445.593 2.180 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 464547642 KHFRCHZARMAORC-KYOSRNDESA-N 436.306 2.224 30 10 IEEE COc1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C#N 464703507 ZLFAQYAXGYVACI-BZSNNMDCSA-N 429.542 2.480 30 10 IEEE CN(CCCOc1cccc(S(C)(=O)=O)c1)S(=O)(=O)Cc1ccc(C#N)cc1F 481027230 QOTSIZOBWDWATN-UHFFFAOYSA-N 440.518 2.332 30 10 IEEE CC(C)(C)NS(=O)(=O)c1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F 481056350 JMIDHTDDKPNTOY-UHFFFAOYSA-N 439.534 2.394 30 10 IEEE Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc(S(N)(=O)=O)c1C 482720112 DUHINJYUHOLSBS-UHFFFAOYSA-N 426.542 2.239 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 485415529 ZZISXLZLDSDPIY-UHFFFAOYSA-N 437.500 2.030 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C 489181604 AXAKSHKYIDMRNO-UHFFFAOYSA-N 442.443 2.443 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(CCC#N)CCCN(C)C 503540074 JDPQJKGXMKDJHW-UHFFFAOYSA-N 430.368 2.469 30 10 IEEE COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)O 516234917 NGMOCKPSPMSXOE-OAHLLOKOSA-N 425.260 2.434 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 523338389 GNSQYEWLWNJAIB-RBUKOAKNSA-N 444.582 2.310 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 535438793 XVTCSZMHGPUJPQ-UHFFFAOYSA-N 430.530 2.371 30 10 IEEE CN(C)CCCNS(=O)(=O)c1cccc(-c2noc(Cc3cccc(C#N)c3)n2)c1 544297867 XWKJUKKGGGHGLC-UHFFFAOYSA-N 425.514 2.429 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)CO)c1 549091226 PFEIFLIOJBLWFB-HXUWFJFHSA-N 438.933 2.194 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@@H]3CS(N)(=O)=O)c2)c1 553367611 UVDKHXZAFSBLAV-HXUWFJFHSA-N 441.509 2.158 30 10 IEEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccc(C#N)c(OC)c2)cc1 573294045 JYURRWCZOIRRRN-UHFFFAOYSA-N 431.514 2.293 30 10 IEEE CCCCS(=O)(=O)OC1CCC(NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 586508388 VHIXNTBQOVRLOG-UHFFFAOYSA-N 436.530 2.247 30 10 IEEE N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 611360847 GSNNUPHZUGBQLX-HSZRJFAPSA-N 433.556 2.431 30 10 IEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 619833211 NAQSAOSJMJFPRF-PGRDOPGGSA-N 433.560 2.382 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCc3nn(CC)c(=O)cc3C2)nnc1-c1ccco1 675822056 RQRMJMVJXXONFM-UHFFFAOYSA-N 440.529 2.368 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1Cc1ccon1 683734681 MZKRPTXVVZISPY-UHFFFAOYSA-N 442.500 2.367 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3cnccc3c2)c1=O 683734766 ANTZWHGXUXPFRF-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cc1F 730139929 SQTNMUJCYGJLSP-FUHWJXTLSA-N 436.553 2.313 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCN1C1CC1 732664724 TZNVFUPEFKEICA-QGZVFWFLSA-N 430.555 2.039 30 10 IEEE CN(CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@H]1CCN(c2ccccc2F)C1=O 732797927 JQOYQAPFDWIYSL-FQEVSTJZSA-N 435.459 2.156 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(Cc3nccn3C)CC2)ccc1OC 733656918 QNINIYLMKJSZGR-GOSISDBHSA-N 426.521 2.137 30 10 IEEE CCCCCC(=O)NC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742600300 AHIPTRINZUVIBI-MRXNPFEDSA-N 448.589 2.191 30 10 IEEE CCc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[nH]c(C)c1C(N)=O 747808200 RUYHCXRDTFRFQO-JLPGSUDCSA-N 431.518 2.050 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1CC 772277727 QSGDWPODKYJFFO-UHFFFAOYSA-N 448.386 2.420 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)[C@H]1CCS(=O)(=O)C1 774037394 XLPXFGHRASOYSH-IBGZPJMESA-N 443.500 2.410 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1 777203629 AMFMAPMEQVAAPT-OAHLLOKOSA-N 435.502 2.294 30 10 IEEE CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 780850796 KNBWGDJGJWHGRT-KRWDZBQOSA-N 429.383 2.083 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cncs2)c1=O 794586088 YPLWNHVNZGOGDM-OAHLLOKOSA-N 437.546 2.163 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)cc1C#N 797536404 IISXWYGTXDHHCE-UHFFFAOYSA-N 442.903 2.307 30 10 IEEE C=CCN1CC[C@H](OC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1=O 798632883 DLJCHLPSNYOAKE-WFASDCNBSA-N 430.320 2.189 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 809886663 LTGJEXAQCSJAKD-IKGGRYGDSA-N 446.552 2.020 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1-c1ccc(F)cc1 812276295 ZYKZLOXZRPCTHR-UHFFFAOYSA-N 446.454 2.437 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@H](OCC)[C@@H]3n3cccn3)ccc2c1=O 819391427 JMSSGAVFQAUEMQ-FGTMMUONSA-N 425.514 2.216 30 10 IEEE C[C@H](Sc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)C(=O)NC1CC1 1083935523 ZFINCLXXYVPYKB-QMMMGPOBSA-N 425.312 2.478 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2ccsc2C#N)c1 1128713367 LKUAYMYYAOGRDL-UHFFFAOYSA-N 428.333 2.399 30 10 IEEE CN(C)S(=O)(=O)c1cccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1129211141 NBUWKDJQIKQBEQ-KRWDZBQOSA-N 438.550 2.140 30 10 IEEE C#C[C@@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)c1ccc(Br)cc1 1129730435 HTJOWGCXWGDSPS-CYBMUJFWSA-N 432.299 2.166 30 10 IEEE CC[C@H](C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1130359311 JTJVNFMSHJCHES-HNAYVOBHSA-N 435.546 2.053 30 10 IEEE C#CC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 1141592082 XNKFRHJIMQBQLF-OAHLLOKOSA-N 431.470 2.126 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCN(CC(F)(F)F)C1 1208900611 GOJALZOVLFZNRS-SNVBAGLBSA-N 426.258 2.483 30 10 IEEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1233603499 FLSCTVUGAVVOQY-UHFFFAOYSA-N 429.564 2.153 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 1235642254 ZIMKKUFDYWGMAQ-AWEZNQCLSA-N 445.467 2.012 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1 1264688147 YXJSBEWPJWCOLU-GOSISDBHSA-N 432.480 2.076 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC(=O)NCc1ccco1 1286427453 AELOEPWYNQFPSI-UHFFFAOYSA-N 431.496 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286439935 XVVLFBWEPQNXFP-JOCHJYFZSA-N 441.539 2.099 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCc1ccc(S(C)(=O)=O)cc1 1286458722 BXLRKXKBCFHRHG-UHFFFAOYSA-N 427.530 2.005 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCc2cccc(C(N)=O)c2)CC1 1286490919 WZQAQNRSGPQNBW-UHFFFAOYSA-N 448.571 2.243 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccs2)CC1 1286495480 XCFPAAISKZCJHD-UHFFFAOYSA-N 430.603 2.269 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286603227 PFGCZWCYIVGCGA-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCS(C)(=O)=O 1286783201 NQWQCCQDSDOPAE-UHFFFAOYSA-N 446.360 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)on1 1286814926 IDOBINHZJSIZDR-UHFFFAOYSA-N 426.502 2.350 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCNS(C)(=O)=O 1288507888 PPYNYUUYWLJXNM-QGZVFWFLSA-N 430.578 2.426 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1288935843 GJMSNLXFZJIWNA-UONOGXRCSA-N 440.957 2.359 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1291012955 HBQGULWYYUTEQO-KDURUIRLSA-N 435.576 2.463 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC[C@@H]1CC 1292132837 DBOKYRJNHDULGC-RBUKOAKNSA-N 431.585 2.190 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1294914834 WZTXAQQXQKWJKD-QUCCMNQESA-N 438.532 2.260 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2CC)c1 1300334209 IJLXKOHQGMYNAR-FPOVZHCZSA-N 436.560 2.323 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1300337308 YWOGFMHEOBEAKG-UHFFFAOYSA-N 427.528 2.471 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1300454917 BRZRBHRTDMCZCD-UHFFFAOYSA-N 449.559 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1300574791 KOQIOGMZYGAWFE-IBGZPJMESA-N 427.512 2.195 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCS1(=O)=O 1300655271 UUTNKAOQALXYTF-INIZCTEOSA-N 437.953 2.047 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCCCCC1 1300665160 XVBXRHRQOBLSTF-UHFFFAOYSA-N 429.521 2.177 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnc(C)s2)CC1 1300701168 IYLYBEXWTXBASQ-UHFFFAOYSA-N 427.965 2.486 30 10 IEEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301050028 IMIOOJQNIQHYJH-CRAIPNDOSA-N 429.908 2.463 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1301417065 NOINPKYXQKGRSB-UHFFFAOYSA-N 429.912 2.448 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1305204879 DCLXUBRPELLZST-DGGJZMOXSA-N 441.532 2.272 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1305630591 WXGLTRIXWSZQHW-JCGIZDLHSA-N 438.488 2.236 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 1306012695 ADAQRTATONPWEI-WQFQCULDSA-N 441.509 2.024 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)COC)C1 1314976579 IBUHSDOJFUHZAU-QHCPKHFHSA-N 440.548 2.364 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1(C)C 1315732543 CAIKKZMNHLONSS-WOJBJXKFSA-N 441.532 2.395 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)c1c(C)noc1C 1316297266 JBGZINKMDPKDCQ-TWILYEHCSA-N 430.509 2.139 30 10 IEEE N#Cc1ccc(OCC(=O)NCCNC(=O)Cc2cccc(F)c2)cc1Br 1357930644 NJEKYYWWASRXMY-UHFFFAOYSA-N 434.265 2.314 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1358929066 RMRLSSHIBBLAGE-LJQANCHMSA-N 439.564 2.491 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@@H]1C(C)C 1358946306 PYFCEGUUWQCGEB-SJLPKXTDSA-N 430.578 2.369 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCCC1 1359025491 QGNPJWCQOTYPQF-UHFFFAOYSA-N 448.564 2.451 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359031336 YMENHUUOSXNEJW-LJQANCHMSA-N 447.992 2.321 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC#C)CC1 1359050660 XVCJGPAGJFUOBF-UHFFFAOYSA-N 433.379 2.157 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359187271 HPDPSQOKGUPAHR-MOPGFXCFSA-N 430.597 2.380 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1359194673 ZORWLHHZIBYHGC-QXAKKESOSA-N 433.578 2.473 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1359196457 IGKNPNUJWVGFHB-UHFFFAOYSA-N 435.594 2.406 30 10 IEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359210556 XTCXTSMTCPXLES-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1359326197 VAHKKEPGLODWDS-LJQANCHMSA-N 434.504 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOC[C@@H]1C 1359331326 VRBQWVKPSPYNNU-INIZCTEOSA-N 443.529 2.426 30 10 IEEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1360535545 FGZKMURLJVNBMZ-HRAATJIYSA-N 430.578 2.429 30 10 IEEE CSc1nc(O)c(C(=O)N(C)c2ncc(I)cn2)cc1C#N 1437302704 RCXHZFNBAADHSC-UHFFFAOYSA-N 427.227 2.052 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1439496513 COMMEAMVIMNOPD-UHFFFAOYSA-N 445.516 2.469 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)c1OC 1440623512 JNACWXFNAYLNDM-DHZHZOJOSA-N 426.444 2.410 30 10 IEEE CC(C)CN1CCO[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1440674830 JVESAMCFAFYLRN-FSTYKVKCSA-N 434.581 2.246 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)COCc2ccnc(O)c2)CC1 1443660125 BNOCPXWFKTZDKS-GOSISDBHSA-N 445.317 2.475 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1447472138 GNYGFUNYOVCYNE-PBZHRCKQSA-N 447.413 2.133 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1452859871 LQWSIPLZYWXPCB-UXHICEINSA-N 438.528 2.440 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1455711028 YOQILYCKLSKQAW-HNNXBMFYSA-N 429.583 2.050 30 10 IEEE CC(=O)NCC(=O)N1CCc2cc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)ccc21 1461653224 SNOHLEIDQUNQHQ-UHFFFAOYSA-N 446.507 2.019 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1466691225 XVHWEOPLIPHHTA-SFHVURJKSA-N 435.546 2.149 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1467571595 HUDWLSPRJXNVSQ-LKFCYVNXSA-N 437.743 2.461 30 10 IEEE N#Cc1ccc(CC(=O)CSc2nnc(N3CCOCC3)n2CC(F)(F)F)cc1 1472983346 NUFUWXQQMDOLAN-UHFFFAOYSA-N 425.436 2.453 30 10 IEEE C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3c(CC#N)cccc3C2)C1=O 1473691537 WZLFYFKVQOHYTI-RUZDIDTESA-N 445.523 2.085 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1499697080 MRRHOZHIUVTUMY-SJORKVTESA-N 439.545 2.137 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccccn2)nnc1N1CCC(C#N)CC1 1503358009 CTJBVCNURQQGAM-FQEVSTJZSA-N 436.564 2.023 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)n1 1504774989 PSEQCDZUVQJHNI-GOSISDBHSA-N 435.488 2.370 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1504957393 BECZXIUYSXGKPU-SJLPKXTDSA-N 439.582 2.099 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1507581424 VLJHPEPCCRPIPO-WMLDXEAASA-N 446.437 2.490 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1507691742 MSLRINSKVPDSHO-ROUUACIJSA-N 431.537 2.391 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1507975061 KKGPFHBVMJHPTJ-VZCXRCSSSA-N 438.488 2.111 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)C1 1508119368 ZMLBMAYGGSJYPQ-RXVVDRJESA-N 427.549 2.456 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2cccs2)CCOC1 1509813511 CXTCXPLQRCPFGD-ORYQWCPZSA-N 447.561 2.017 30 10 IEEE CCOC1CC(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)(N2CCOCC2)C1 1516367183 HIEZBVJBUDVWCI-HJLOMXBNSA-N 446.596 2.180 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1517004836 AEFQOCYVSOQEJE-GOSISDBHSA-N 430.578 2.028 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCn1cnc(C#N)n1)c1cccc(Br)c1 1520765522 RCYPOFUJZMISIM-HNNXBMFYSA-N 449.309 2.294 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CC3)nn2C)c1 1525955724 CTOQENDXWLUQTA-XIEYBQDHSA-N 444.561 2.467 30 10 IEEE C#CCN1CCC(C(=O)N[C@@]2(C(=O)OC)CCc3cc(Br)ccc3C2)CC1 1533133194 CZOQJTIPQZDBEX-NRFANRHFSA-N 433.346 2.311 30 10 IEEE COC(=O)c1ncoc1CCC(=O)Oc1ccc(C#N)cc1I 1538615186 BEXWTWYCKXMQOQ-UHFFFAOYSA-N 426.166 2.476 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1539133891 KXTHGBQSQRDSGQ-PZJWPPBQSA-N 426.609 2.461 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539211222 JGULULLFRGGJLF-MOPGFXCFSA-N 445.589 2.260 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCSCC#C)CC1 1539476249 TUOQCATYEXRINM-UHFFFAOYSA-N 425.533 2.416 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539793293 BRWPPLZNKXXEAR-MRXNPFEDSA-N 431.972 2.438 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c[nH]nc3c2)CC1 1539874261 KZYGNJWIEYLRQU-HNNXBMFYSA-N 443.577 2.410 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1542180157 AYYRTTZWWIRMEK-QUCCMNQESA-N 442.560 2.311 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[C@H]2COCCO2)cc(OC)c1OC 1554733319 PZIODOXUOHXLOX-RDJZCZTQSA-N 445.520 2.372 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1570624463 YZABJHNCVNQDBJ-IBGZPJMESA-N 441.532 2.205 30 10 IEEE C#CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCCCC1 1585161941 XWKVQDQXEULPRN-KRWDZBQOSA-N 430.526 2.466 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1587567849 KYHHISDCXWUJBQ-GAJHUEQPSA-N 426.517 2.482 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c1 1587762753 JFOCTLPUKBLWMX-UHFFFAOYSA-N 427.482 2.208 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CSCCS1 1587970200 RNHPKCVZBULSOX-AWEZNQCLSA-N 436.632 2.156 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOC[C@H]2CCOC2)CC1 1588780851 XIAWKJQYRLCMEH-HXUWFJFHSA-N 439.560 2.152 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1589110207 QPPDADQHCMOUMT-IBGZPJMESA-N 441.605 2.422 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1593746755 MFLNXHFWMBOXGQ-QGZVFWFLSA-N 432.546 2.041 30 10 IEEE C=CCn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1595453268 QWAPJVSCHLMTBK-DEOSSOPVSA-N 440.592 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595500743 DMXVICRPBWVUFY-GAJHUEQPSA-N 425.533 2.194 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)C2)nc1 1595822264 XIGRTEARHJRZHC-HXUWFJFHSA-N 440.525 2.106 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)(C(F)(F)F)CC2)c1 1598352004 BRSPVGLOVDTIEH-UHFFFAOYSA-N 448.463 2.499 30 10 IEEE C#CCN(CC(=O)Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)C(=O)OC(C)(C)C 1598373868 BNGADGHSYXZAKT-KRWDZBQOSA-N 429.517 2.340 30 10 IEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nnc(C)s1 1616936701 HKXMXWYIUGKKKI-UHFFFAOYSA-N 438.561 2.217 30 10 IEEE C#CCOc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1 1617273618 ZAACEYPUSGMDBF-FQEVSTJZSA-N 444.509 2.367 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ncccc2Br)ccc1F 1617439964 VLZYCYYVDDQXPL-UHFFFAOYSA-N 428.283 2.378 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1617629693 WDYZZFSWOXDHEP-PKOBYXMFSA-N 439.520 2.043 30 10 IEEE COc1cccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1619333425 BPEYKVBHWNYNEO-TYPHKJRUSA-N 440.548 2.212 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619585734 NVESGFGEIMASIT-AFYVEPGGSA-N 443.573 2.206 30 10 IEEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1619675933 FYRRZIMLFLFTIQ-NRFANRHFSA-N 436.476 2.238 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OC)c(F)c1 1620024189 FFASGTHDCYKMDK-DOTOQJQBSA-N 433.484 2.121 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCOCCCO)CCO2)c1 1620350005 YTSZVPLXAZYKCD-RTWAWAEBSA-N 441.532 2.368 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1624981869 ASVDLXFGSMDTLJ-UHFFFAOYSA-N 442.541 2.348 30 10 IEEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1631627872 GMHQUZPKRWHCOT-YYHKSVKZSA-N 449.470 2.171 30 10 IEEE O=C(NCC1(C(=O)NCC#CCO)CCOCC1)OCC1c2ccccc2-c2ccccc21 1634027083 OIBHZEYSJDZJDV-UHFFFAOYSA-N 448.519 2.434 30 10 IEEE COc1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c(OC)n1 1638288306 FHQWIIJSPMIYKJ-UHFFFAOYSA-N 431.290 2.486 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)C1 1640308676 SGRPIADHXDFEFW-LJQANCHMSA-N 448.361 2.441 30 10 IEEE CC(C)CSc1ccc(S(=O)(=O)NCC(=O)N2CC[C@](C)(C#N)C2)cc1[N+](=O)[O-] 1642034451 APPXMYIYTKTRJS-GOSISDBHSA-N 440.547 2.383 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 1643889190 SHFFQWQVZKFNTG-GHTZIAJQSA-N 448.445 2.227 30 10 IEEE COC(=O)[C@@]1(C)C[C@H](OC)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1644113068 SMNXAOSYWIEGMO-HTAPYJJXSA-N 428.489 2.209 30 10 IEEE COC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCOCC1 1653612617 AYMRCZRTRRALMA-UHFFFAOYSA-N 428.464 2.355 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 1664413428 ACKFXTLXLUYBNW-UHFFFAOYSA-N 429.336 2.037 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)Br 1689839886 OFUPPIVLYWYGON-NSHDSACASA-N 437.252 2.366 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1689992449 KYJUXVYNIIUBCQ-LJQANCHMSA-N 427.574 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1690049925 MMMVXNOFOGMGLV-FQEVSTJZSA-N 440.569 2.308 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC(=O)N(C)Cc1ccccc1 1690050078 RHMXXXLVSCOOGT-UHFFFAOYSA-N 426.524 2.385 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N(C)C)CCCCC2)CC1 1690112266 SWHOFQVTYGBWFB-HXUWFJFHSA-N 432.613 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCCCC2)CC1 1690146575 RBJGWGABNILVPZ-NRFANRHFSA-N 442.608 2.362 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690675066 ORTNRZHQOSATBS-AZUAARDMSA-N 443.548 2.016 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2sccc2C)C1 1690685832 DXTKKKPOHARJAN-LSDHHAIUSA-N 425.580 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)(C)C)C1 1690687803 JKVOFYUAYLLEJA-FDDCHVKYSA-N 449.596 2.262 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)N2CCOCC2)C1 1690689850 MPPWEKXOIYVEQO-FQEVSTJZSA-N 425.533 2.148 30 10 IEEE CCN(CC)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cn1 1695623142 AGLHWBXMCWWUSM-HXUWFJFHSA-N 432.532 2.282 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1705516669 GYCOEKKJXMGHRU-LJQANCHMSA-N 433.622 2.438 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705529060 BZRQDXUPEVQMHG-IBGZPJMESA-N 447.547 2.075 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705535918 CPFFOETXSDIDCF-FQEVSTJZSA-N 449.603 2.247 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(N)=O)C1 1705701070 CBJWPNVNDWKDBW-AVYPCKFXSA-N 431.487 2.440 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705704240 ZRTHQVJYUUTPJD-SIKLNZKXSA-N 432.613 2.202 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1705883031 SIHWAIDTNZGLTD-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@H](C)C1 1705927748 FLDLJYKWUPMGNN-INIZCTEOSA-N 425.599 2.424 30 10 IEEE CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1706367452 HSTACEHOSFAJAV-CEWLAPEOSA-N 429.613 2.325 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1706923676 KVILIOCWGKTZAJ-FMKPAKJESA-N 443.483 2.284 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1706942308 OXJXGHAVXLYMNC-QGZVFWFLSA-N 426.546 2.197 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2cn(C3COC3)nn2)c1 1707146977 VQJUXMOUCDDMSV-QGZVFWFLSA-N 436.520 2.281 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1709850527 RTGFBDCIMBXMCB-APWZRJJASA-N 426.521 2.116 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)C1CC1 1710568359 BGNXNEGMLJYMGX-IEBWSBKVSA-N 440.548 2.467 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1712108665 CABIBRNGUCGBER-FQEVSTJZSA-N 436.516 2.241 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)OC 1712152506 DFSOQLRUBWCKEC-XLJIZYSNSA-N 441.532 2.251 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1722316116 BKJWHYCBTKVIPW-LJQANCHMSA-N 427.574 2.440 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1722364355 YZYMUDDGYKBFAC-SFHVURJKSA-N 442.541 2.309 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(C)C)cc1 1722384878 ZADHVPZNALUTGK-FQEVSTJZSA-N 440.569 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1ccnn1 1722393735 IHJKBLLQNYQTJI-UHFFFAOYSA-N 425.500 2.276 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)NC(C)(C)C 1722427475 VQPIESJDKBBQAD-IBGZPJMESA-N 441.532 2.181 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1722441098 PACCPWGMTKQPOM-SIKLNZKXSA-N 439.608 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC[C@H](F)C2)CC1 1722443812 BKAWBEPHLZWCNA-SCTDSRPQSA-N 435.544 2.106 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1722503599 BIHOHMCVZKMWGN-UHFFFAOYSA-N 445.387 2.330 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722532663 SIGMCGLMMKGSEV-UHFFFAOYSA-N 439.564 2.349 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722534681 VYVHJOFFMHCAKY-UHFFFAOYSA-N 437.548 2.475 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1722573260 RNISQANPDYUDND-FQEVSTJZSA-N 430.597 2.153 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1 1722699419 UQWWBBSZIZBTFD-HNNXBMFYSA-N 434.338 2.483 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1722699879 OCBNKTNGYRCBDC-HXUWFJFHSA-N 426.540 2.375 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2Cc2ccccc2)nnc1[C@]1(OCC)CCOC1 1722704917 ZPJYSIGCIJEUFS-RDPSFJRHSA-N 439.560 2.444 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O 1722865865 LDPDFSBBTWMQOC-GFCCVEGCSA-N 426.340 2.348 30 10 IEEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1723240795 SCXMDHMAQRGLMK-FYPAYUBKSA-N 446.577 2.234 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1725818563 HPABNSKAVLVNDZ-HNNXBMFYSA-N 427.459 2.275 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(C(C)=O)CC1 1740615719 JQHLWUZTAVBTOR-KDURUIRLSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1740621808 PIQWWDUZTAAOML-GOSISDBHSA-N 439.516 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C(=O)N(C)C)c1 1740629576 RTWAYDFCABRJTD-UHFFFAOYSA-N 434.544 2.019 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cn2ccc(C)cc2n1 1740680056 QDTQPCXTMAYCTE-HSZRJFAPSA-N 438.532 2.021 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740691772 CYPANEHNOKXYFB-SFHVURJKSA-N 441.967 2.007 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1740716128 MLUHLAROCAFKQH-RTBURBONSA-N 436.541 2.045 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740744770 XWYBPONOUFFWET-IAGOWNOFSA-N 440.386 2.239 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740793710 WDQOSRMUTQJQNS-GOSISDBHSA-N 433.940 2.066 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740809069 BFIQWFLCMHWBNM-OAHLLOKOSA-N 434.953 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740992067 MFBHTXCAOAGGGK-CSODHUTKSA-N 440.610 2.240 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740995809 XZXZULGEJPMDKP-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740998907 WTPPVUDEROVTTQ-QZTJIDSGSA-N 427.530 2.096 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)n1 1742702608 DNGWMDAXCGUMNE-HXUWFJFHSA-N 445.593 2.095 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1747433032 QNZDXOVHNOJRNC-OAQYLSRUSA-N 446.577 2.413 30 10 IEEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(CC(F)(F)F)CC2)n1 1748038468 GMVFPXNEXIVXLG-UHFFFAOYSA-N 445.453 2.068 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@@H]2C)c1 1748577953 BDOPSOOREGZNRL-OXJNMPFZSA-N 426.521 2.175 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CCC1 1748868567 ZQTMCUAVEHPEAY-RCRUUEGKSA-N 432.590 2.083 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2F)CC1 1749015078 RCWAYFNSLSHRGE-IBGZPJMESA-N 425.508 2.130 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749029589 TUINMFWKTDHRFT-UHFFFAOYSA-N 433.603 2.172 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC[C@H]1C 1749197318 WNQYBCINFFWQCL-VQIMIIECSA-N 446.577 2.006 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1749537939 QCABETGNDXHYSJ-UHFFFAOYSA-N 432.528 2.315 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1749546569 AUCZUSKXVRWCPG-LAUBAEHRSA-N 431.537 2.429 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)cc1 1749596401 XLSOXYBOGBEPDE-UHFFFAOYSA-N 437.548 2.202 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1749755718 KPYQOKWNQVQKJN-INIZCTEOSA-N 443.639 2.157 30 10 IEEE COCCOC1(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1750027541 AMIVQSXJUQKAEF-KRWDZBQOSA-N 445.495 2.025 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1760183967 SDUUIWAXFBTZAE-KRWDZBQOSA-N 426.498 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCCC1 1760193636 KSVOJRVAKDPLOA-UHFFFAOYSA-N 425.920 2.239 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccccc2-n2cccn2)n1 1760251450 AXLJQXLIXAZCCF-UHFFFAOYSA-N 430.516 2.303 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760355932 AQUZWWZRPAMLHJ-GOSISDBHSA-N 426.477 2.293 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CN(C)C2=O)CC1 1760405499 UYPCXFFEWHMCPT-NRFANRHFSA-N 428.562 2.150 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760449607 OOUGCSFXYBEPAT-UXHICEINSA-N 436.516 2.271 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1760521143 KZMVEYSOOSRNHM-UHFFFAOYSA-N 433.472 2.434 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)CC1COC(C)(C)OC1 1760524953 OUDDVTNDALQLHV-UHFFFAOYSA-N 427.549 2.315 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760553852 KASHWSFWOXTFOY-UHFFFAOYSA-N 449.621 2.375 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1762936725 BSVPNSJEGWVQDK-KRWDZBQOSA-N 442.589 2.314 30 10 IEEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CCC(=O)N2CCOCC2)cc1 1768466738 BRNCTCVUQKEPIZ-UHFFFAOYSA-N 438.532 2.333 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1768518374 PSWYVKUOCVZSMD-KRWDZBQOSA-N 449.353 2.015 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1769361902 ZJXHYHKKGBEDDG-UHFFFAOYSA-N 427.530 2.177 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1769551401 GWRBRJMIRLNKRQ-DENIHFKCSA-N 436.520 2.037 30 10 IEEE N#CCC1CCN(c2nnc(COc3ccccc3F)n2CCCn2cnnn2)CC1 1770754493 HHDICTMZUDMVOB-UHFFFAOYSA-N 425.472 2.203 30 10 IEEE COCC1(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1770826531 KJYUXQVXDGBDFW-AVRDEDQJSA-N 433.553 2.254 30 10 IEEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1848688646 PVRSUMQIPBZOAI-UHFFFAOYSA-N 439.537 2.405 30 10 IEEE CCc1c(C(=O)N2CCC(N3CCC(C#N)CC3)CC2)nnn1-c1ccc2c(c1)OCO2 1850717983 IJEKNPHCZFRLGA-UHFFFAOYSA-N 436.516 2.399 30 10 IEEE Cc1ccc(C)c(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1851582011 SNFXOUNTUDGPFW-NRFANRHFSA-N 447.539 2.288 30 10 IEEE N#Cc1cn[nH]c1C(=O)N1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1 1851727836 RPGYCSZNFCSNHX-UHFFFAOYSA-N 428.378 2.115 30 10 IEEE CN1CCC(N2C[C@@H](C(=O)Nc3c(-c4ccccc4)cnc4c(C#N)cnn34)CC2=O)CC1 1851816071 UVGOVIFDYJLTIO-KRWDZBQOSA-N 443.511 2.149 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854139773 XOTQTJVCXWIGNP-CQSZACIVSA-N 431.901 2.415 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@@H]2C)c1 1854689628 JVIPUFBPMXINTM-KRWDZBQOSA-N 425.510 2.248 30 10 IEEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1 1856263696 WXFJOBTZSHHUML-OAHLLOKOSA-N 445.928 2.343 30 10 IEEE CCCOc1ccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 1860734787 QNVXMJCEPBCWNS-UXBLZVDNSA-N 446.525 2.073 30 10 IEEE C=CCNC1=C(c2cc(OC)ccc2OC)C(=O)N(C[C@@H]2COc3ccccc3O2)C1=O 1863720138 CLBPVBWERNQSAH-MRXNPFEDSA-N 436.464 2.399 30 10 IEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1870156401 LFLBRHRXLHGWFY-UHFFFAOYSA-N 439.344 2.225 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871533517 KIHMHBFFCJJAJW-UHFFFAOYSA-N 438.580 2.350 30 10 IEEE COC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874495816 HEDRMGFOFMLOTN-DJKKODMXSA-N 433.446 2.372 30 10 IEEE CC(C)N(CC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1)C(C)C 1889064766 YUQWSTCEAFDBAD-YADHBBJMSA-N 428.602 2.468 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CC(=O)N(Cc3c(F)cccc3F)C2)cs1 1890208242 RHEBLOVVNXCTSN-LBPRGKRZSA-N 434.468 2.116 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 1992858201 ZBRROQDIZYGVLT-ARFHVFGLSA-N 427.542 2.190 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C1 2020899654 KDHJUSHIXRSPBT-AWEZNQCLSA-N 441.525 2.474 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060640591 WRMRGTRGJPWRLL-KSWRQPAISA-N 436.358 2.467 30 10 IEEE Cn1ncc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c1I 2068911815 LBIZVOOLXKLJPG-UHFFFAOYSA-N 443.094 2.428 30 10 IEEE C=C[C@@]1(CO)COCCN1c1ncc(I)cc1Br 2079193022 WEWRVHFYTWJVNH-GFCCVEGCSA-N 425.064 2.202 30 10 IEEE COc1cc(C#N)ccc1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164485992 DBZRCSAEESTZIY-FQEVSTJZSA-N 431.445 2.333 30 10 IEEE N#C[C@@H]1CCCN(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)C1 2174783609 DVNFJBRPNYFCMO-SFHVURJKSA-N 438.525 2.197 30 10 IEEE C#CCOc1ccc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)cc1 2179323530 KDUYFZFWDHDRHV-NRFANRHFSA-N 430.457 2.465 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1ncccc1B1OC(C)(C)C(C)(C)O1 2224127365 ITLACOWWMWSNSF-INIZCTEOSA-N 433.358 2.311 30 10 IEEE CC(C)[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248405454 QZSJSYQXVYRMPZ-GFCCVEGCSA-N 440.375 2.137 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254802880 YRAJXFXWYWQXGW-HPBDAGMYSA-N 431.342 2.473 30 10 IEEE C#CC1CC(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)(C(=O)O)C1 2255150499 IJWGKHFUPDNSRK-JXKJCSFESA-N 441.528 2.139 30 10 IEEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC)NC(=O)OC(C)(C)C 2255625990 ZQEVKSYEAHCRFJ-AWEZNQCLSA-N 436.362 2.235 30 10 IEEE CCCN(CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255650356 OPOLPFQOGVKLTR-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255838178 BOQQJXOQJAWLAK-GHMZBOCLSA-N 447.288 2.114 30 10 IEEE CCN(CCN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255870850 PHWLDQJDSBVVTJ-UHFFFAOYSA-N 434.346 2.105 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267268864 ADGPLNZGRLTUES-JOCHJYFZSA-N 446.357 2.153 30 10 IEEE CC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC(NC(=O)OC(C)(C)C)C1 2267278979 GVXBAXJTVFZJEV-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268608776 UYVPJZGHYFICHQ-SFHVURJKSA-N 448.369 2.484 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268690096 JSRIWCKTSCJNOV-HZPDHXFCSA-N 447.341 2.249 30 10 IEEE Cc1nc(NC(=O)[C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2268707623 UKZATUJSIBTTGI-MIFYACCESA-N 444.341 2.136 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268715998 BUEHUYNIGYKIRH-HOCLYGCPSA-N 447.341 2.249 30 10 IEEE Cn1cc([C@@H](O)[C@H](N)C#Cc2ccc(Br)cc2)c(I)n1 2296291659 QYYWVXQKBHXGBM-CHWSQXEVSA-N 446.086 2.200 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1 2296611307 WVNJQHOFJVFLTN-LJQANCHMSA-N 444.919 2.434 30 10 IEEE C#CCCN(CC(=O)O)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2299785759 YOEQNYOIDGDSBH-HSZRJFAPSA-N 429.517 2.092 30 10 IEEE CC1(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2300340310 QVKRSEGKBPMTOB-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2312855831 UQNIETZPFNEZOV-UNEWFSDZSA-N 431.342 2.299 30 10 IEEE CCn1c(N2CCOCC2)c(C=C2SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 2314425923 BQEFYOJFDKKLGV-UHFFFAOYSA-N 432.571 2.495 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)[nH]1 2315394969 ZACRTRIJDMVSLA-AWEZNQCLSA-N 427.276 2.324 30 10 IEEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2317504136 VUWUPGNBAVMUFU-GOEBONIOSA-N 433.358 2.479 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)n1 2337019305 AQQAZQRPBFCGGI-GOSISDBHSA-N 447.385 2.497 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)OC 2352340336 YFKKQOVYHYFDKB-IKGGRYGDSA-N 427.339 2.289 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)n2N)cc1 20527451 WXMIYZNQDQBFNR-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(NN=C3CCCCC3)[nH]2)cc1 20836489 BXKJUFQYTIRYKG-UHFFFAOYSA-N 437.551 2.305 30 10 IEEE CCOc1c(Br)cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)O)S2)cc1OC 27551956 WPMJTOORCCIACI-RGOWCBCBSA-N 430.280 2.253 30 10 IEEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1)Nc1ccc2c(c1)OCO2 58994163 PPNNZXXDYGGDJR-FBCYGCLPSA-N 428.430 2.121 30 10 IEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 103937029 HWHGOPRZXDQANV-QFNVGMEYSA-N 448.501 2.141 30 10 IEEE C[C@H](Oc1cccc(C#N)c1)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 110881965 DBJNMAZGWNIJFO-INIZCTEOSA-N 426.904 2.444 30 10 IEEE C=CCN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1nc(C(=O)OCC)cs1 427686588 FTQSPBINTQDDOU-OAHLLOKOSA-N 427.482 2.358 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446636074 DXQLGNKLBFCLKT-IVMQYODDSA-N 446.515 2.225 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccoc2)n1C[C@@H]1CCCCO1 461830201 KIZIRIMLWSKBHS-AEFFLSMTSA-N 434.504 2.484 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 482205081 DTLAIMMWHULMSG-OAHLLOKOSA-N 431.489 2.434 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 502547623 VZHZLUXNJHUIEW-LJQANCHMSA-N 425.507 2.146 30 10 IEEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)C1 512841403 SELVUHJQFFQJQD-FQEVSTJZSA-N 432.540 2.014 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 522509049 JCRWFCNXJOLPFU-HOTGVXAUSA-N 431.464 2.473 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCN(c3cccnn3)CC2)cc1 523554476 SNFYXEURXPWWBB-UHFFFAOYSA-N 430.534 2.027 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 535149385 QVOJBONZULCBQZ-UHFFFAOYSA-N 425.510 2.322 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]4COCC[C@H]43)nnc12 536028092 DKHQMDCYXCWGPT-NVXWUHKLSA-N 439.541 2.350 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 543860640 CBQUDFSNBHWJEC-LBPRGKRZSA-N 447.538 2.177 30 10 IEEE N#Cc1ncn(CCNC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)n1 554174925 FLWTYZDMVCEKQJ-UHFFFAOYSA-N 432.271 2.488 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1 555253092 XWCGSPVPIZTWEU-LJQANCHMSA-N 449.577 2.092 30 10 IEEE N#Cc1ccc(CNC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(F)c1 609240030 KUQDFVKWOZJYHM-LJQANCHMSA-N 440.475 2.371 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669110 IZYKUHSDVSDUOL-UHFFFAOYSA-N 426.567 2.039 30 10 IEEE COC(=O)[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C#N)cc1 740001402 SQNRWEOVBIHSQO-OAQYLSRUSA-N 427.526 2.356 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC(F)(F)F)c(=O)n1C[C@H]1CCCO1 742144191 YRBXHGUYNIEFJK-OAHLLOKOSA-N 435.427 2.057 30 10 IEEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cccc(S(N)(=O)=O)c2C)cc1 754323418 HZLFOABRQILHCN-UHFFFAOYSA-N 445.497 2.145 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772898484 MHNBLRNJHNPCCG-UHFFFAOYSA-N 442.610 2.313 30 10 IEEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 774980983 QQFYBSSPKFTBJJ-HXUWFJFHSA-N 438.546 2.336 30 10 IEEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)cc2F)CC1 777319757 LCVRXQJQRWPLHG-UHFFFAOYSA-N 430.505 2.266 30 10 IEEE C[C@H](OC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C)C(=O)N(C)CCC#N 782396317 LHRZESJUSPXCMJ-DUQZYUJVSA-N 437.537 2.389 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 782701814 WZPCTGSZZIERCE-GJZGRUSLSA-N 427.432 2.001 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)n1 790106246 ZOKABILPTPWVGL-FPOVZHCZSA-N 428.920 2.364 30 10 IEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 800776672 GZIBKDNBBGCLAK-ZWKOTPCHSA-N 432.569 2.099 30 10 IEEE CC(C)(C)C1=CCN(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 803121839 MERGFKKTTNMIGA-UHFFFAOYSA-N 432.590 2.300 30 10 IEEE CCN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H](C)CS(C)(=O)=O 807249670 CFXGCGRZZIMUPC-CQSZACIVSA-N 433.555 2.185 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)c1ccc(F)cc1 812526459 LJCDASRFNSCZMB-CQSZACIVSA-N 448.444 2.451 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)c(C)n1-c1ccccc1 839375795 ANXBQWBTTIBYEX-UHFFFAOYSA-N 444.560 2.434 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856616005 KSFWRWXFKCXYIW-ZWKOTPCHSA-N 427.302 2.240 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 1130625994 GUUHTKSQRRZTRJ-OAHLLOKOSA-N 426.560 2.013 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1136151359 BVARIUHTAFESHD-WDZFZDKYSA-N 442.512 2.430 30 10 IEEE C#CCCN1CCN(C(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1136499080 KRAVITAQYHDHCE-FQEVSTJZSA-N 440.544 2.246 30 10 IEEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1136915890 PNAGADANZCGWTF-SJORKVTESA-N 428.470 2.171 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(CNc2ncccc2C#N)c1 1143293809 PEMYYBOGOGKYTI-OAQYLSRUSA-N 434.544 2.238 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCCC1 1164040640 WHZDVQVNFJQMEF-DNVCBOLYSA-N 435.546 2.243 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C 1164601239 DAUBXOBHGQZXGT-NVXWUHKLSA-N 435.546 2.338 30 10 IEEE C#CCN(CC(=O)N1CCN(Cc2ccco2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1197769255 LIUMFPGTASBZOB-UHFFFAOYSA-N 444.576 2.259 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1Cc1ccccc1 1252273978 YZPJRWDTYVEWQO-UHFFFAOYSA-N 441.556 2.228 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1286276527 XTLBKRCHIVYWEU-CABCVRRESA-N 428.518 2.050 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286300280 QQFFXVQQPJJNAQ-AUSIDOKSSA-N 430.556 2.337 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1286306569 WKDYGVCTWZMJNV-RBUKOAKNSA-N 428.556 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccco1 1286413813 NORUFXOSAXXDQB-XMMPIXPASA-N 445.527 2.026 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCC1 1286421457 DVTIFPHNSNUBLR-DEOSSOPVSA-N 441.576 2.184 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286495800 FTPIKCOQERDZOW-IAGOWNOFSA-N 427.640 2.266 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286784714 RDOFMXIVUBUDPB-GOSISDBHSA-N 447.543 2.100 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1286798409 HMRFTTQJGJUUFX-AEFFLSMTSA-N 429.546 2.389 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 1290377631 MTCMUMPFLLVFGS-INIZCTEOSA-N 430.977 2.035 30 10 IEEE C#CCN(CC(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)C(=O)OC(C)(C)C 1291825562 MFZWMHJCPDXNGY-UHFFFAOYSA-N 425.507 2.266 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)n[nH]2)c1C 1295100711 VSNUZIZQCSQLRW-KRWDZBQOSA-N 433.472 2.079 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2nncn2-c2ccccc2)CCOC1 1296517448 GMIBIUNQXSATRB-VGOFRKELSA-N 436.520 2.298 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1300402676 CMJHXYMXDXRLAN-QGZVFWFLSA-N 426.546 2.057 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1300419708 REIAZJODUZBTIZ-LJQANCHMSA-N 436.560 2.470 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300742491 KMSXOOIHOLQVKW-CVEARBPZSA-N 431.587 2.441 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCOCC2)CC1 1301109085 FWJOYAQAYCTZEN-QHCPKHFHSA-N 433.597 2.445 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301434038 CHUJEMXRDMIAKZ-MRXNPFEDSA-N 426.340 2.237 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OCC)CCOC1 1301520161 UZTHFWRKWJGQKA-NRFANRHFSA-N 435.475 2.147 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1301602044 LWMUZFKDYKBSHC-KRWDZBQOSA-N 445.589 2.402 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1301958332 BDFUNCKWEOIOPN-INIZCTEOSA-N 440.529 2.418 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(F)c2)CCOC1 1303505047 JGAOQCKIDQQRCO-SIKLNZKXSA-N 429.496 2.429 30 10 IEEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1305060364 VZWNKRKFGDVGLX-YIYXVTKBSA-N 447.499 2.244 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@H](C(F)(F)F)O1 1305153399 CHEVVKRQHDJQOE-DAXOMENPSA-N 434.422 2.251 30 10 IEEE COc1ccc2c(c1)CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)CCO2 1307774722 FEJQEJZLPIOFAJ-QFIPXVFZSA-N 438.503 2.438 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@@H](O)CNC2(c3cccc(C#N)c3)CCOCC2)CC1 1307940810 JLYXFNLXWLLDNM-YUVVGHDESA-N 430.545 2.389 30 10 IEEE CCc1ccc([C@H](NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2cccs2)cc1 1308127442 AALYBPBOFOFLEU-YUXAGFNASA-N 443.594 2.386 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)cc1 1310131902 UVPRAYHMQAGGRT-GOSISDBHSA-N 430.530 2.391 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)CC1 1313424135 MHCIWTDYLWORAY-WDSOQIARSA-N 432.565 2.336 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1314635937 AWSRZHUBYUFDIG-UHFFFAOYSA-N 425.518 2.300 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1314776881 FVXQQIMFJZCWIS-UHFFFAOYSA-N 428.447 2.225 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@@H]2C)cc1OC 1315378397 GZCULVWGAFQWPH-SJORKVTESA-N 428.537 2.421 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CCO1 1316538710 AHGNEDTXVZCISQ-FRQCXROJSA-N 437.422 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)cc1 1358896540 GWONSXVDPJDQBQ-IBGZPJMESA-N 433.560 2.483 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)N1CCOCC1 1358953237 PNNOKIPRPYNDEZ-INIZCTEOSA-N 448.365 2.410 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCN(C)CCCOC)CC1 1359031424 AXCJZANIJCDNFF-UHFFFAOYSA-N 436.560 2.415 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1359043654 CKSCIARGFZHSIV-VQTJNVASSA-N 449.603 2.426 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)COCCO1 1359274338 KHDOMTBEZQBHAH-HSZRJFAPSA-N 427.549 2.457 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1359281889 LUVLNYRWLOLFJR-SFHVURJKSA-N 439.626 2.084 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359304147 NYGHAYGVUREDHQ-PXNSSMCTSA-N 425.533 2.471 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@](C)(CC)O2)C1 1359322355 UHYFYXLAJDLAON-IKVWTGGYSA-N 438.594 2.309 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)C1 1359325447 FQLRZLCFUNNBHR-SJORKVTESA-N 448.568 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(C)(C)C)C1 1359336186 HRGAJUFRZVAQPG-KSZLIROESA-N 440.610 2.475 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359631290 XCEUFBOQMOSQIG-PMACEKPBSA-N 449.559 2.226 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(Cl)nc2)CCOC1 1360347440 IDCIBPYLBKPKSL-OXQOHEQNSA-N 432.912 2.144 30 10 IEEE CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 1360884685 CECSBELHIXSYJX-UHFFFAOYSA-N 429.546 2.424 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(C(F)(F)F)cc3N3CCCC3)C[C@H]1CS(=O)(=O)C2 1439799469 ZHUHSZPWGUBEAX-KBXCAEBGSA-N 427.448 2.316 30 10 IEEE O=C(c1cccc(S(=O)(=O)C(F)F)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1458002557 NGDDDNXRTNUNDK-UHFFFAOYSA-N 438.408 2.201 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CCN(C)CC1 1469996896 KLFVZWRPSPLZKK-GOSISDBHSA-N 433.350 2.293 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCCN(CCC(=O)OC)C1=O 1472962057 HOQFTUILXDNVBL-QGZVFWFLSA-N 435.594 2.139 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507629207 KSSICARUPYLLEK-LPHOPBHVSA-N 434.537 2.382 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507635257 VGKVDMYYNDYLQM-IBGZPJMESA-N 430.574 2.355 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C 1507806687 IXORKPFYDQFPAD-GVVDHYSOSA-N 447.580 2.040 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507840294 LFYRBQFFRXMLIU-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507875550 TZCVZFUIFJCSNI-PXNSSMCTSA-N 425.961 2.424 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCOCC1 1508028254 SHDOVEPOFVXUJP-SFHVURJKSA-N 425.537 2.227 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1508040914 DJWIWVAVZRSHSD-HNNXBMFYSA-N 436.557 2.171 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H]2CC)C1 1508117369 UCFQBBMYEGAXGG-WNRNVDISSA-N 425.599 2.496 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1509950489 UXNOWNMGTHEGBP-ZDUSSCGKSA-N 428.447 2.097 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cs1 1511529647 LGDMPIYDOSSGHB-SFHVURJKSA-N 440.570 2.289 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)cn1 1515762557 CBDWZCXJRACLRQ-UHFFFAOYSA-N 434.548 2.392 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1516004922 BYKMUKBRPBDSMX-GAJHUEQPSA-N 437.548 2.219 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1517004838 AEFQOCYVSOQEJE-SFHVURJKSA-N 430.578 2.028 30 10 IEEE CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1517073539 NHYIQFLDFZANBD-LVWUPQHWSA-N 428.537 2.322 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)c1 1518824332 CWXACHJUKDKVQF-QFIPXVFZSA-N 431.492 2.125 30 10 IEEE C#CC[C@H](COC)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1530737105 ZJURCCBHLMDSQO-DOTOQJQBSA-N 430.364 2.197 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1538976663 OARISYVCKKQLDV-KSFYIVLOSA-N 430.553 2.129 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1539125473 MJCSRMREOQXSPI-INIZCTEOSA-N 447.536 2.176 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1539219935 OQMKZOHASLCGJX-INIZCTEOSA-N 438.500 2.311 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1539370481 WOLMHAIRZOSDPF-GFCCVEGCSA-N 447.508 2.358 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC=C 1539399518 NUQYEDPBWZOPDI-UHFFFAOYSA-N 432.322 2.096 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539513106 HWHYFOBDKRNFSN-KRWDZBQOSA-N 443.577 2.011 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539601285 YQVGUMAASNSPBZ-HNNXBMFYSA-N 439.358 2.152 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1539765721 HZCZTDWZLVUEOS-GOSISDBHSA-N 431.562 2.143 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@H](C)C2)CC1 1539890246 LBOZBBBBGSSKRT-NEWSRXKRSA-N 437.610 2.450 30 10 IEEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1)C1CC1 1540110082 YYRZYLPXGCSOJF-UHFFFAOYSA-N 427.459 2.455 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@@H]1C 1540122558 XMGFXKRQOQICPD-IBGZPJMESA-N 446.559 2.464 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)cc1 1540878758 HIUOXIVRUKGWFQ-HXUWFJFHSA-N 438.532 2.220 30 10 IEEE CC(C)(C)c1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cs1 1541144664 BTUBKUGXBRCBEB-MRXNPFEDSA-N 443.577 2.126 30 10 IEEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1542004543 RVBSBMLQAYYVNG-UHFFFAOYSA-N 434.504 2.261 30 10 IEEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)nn1 1543112456 JEUNPVVYLGQFRR-CYBMUJFWSA-N 432.362 2.235 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 1543136578 AKYYPVGFWUAUMW-GOSISDBHSA-N 433.350 2.023 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)OCC(C)C)CC2)s1 1544991294 DKFBDHLGNGWIFQ-UHFFFAOYSA-N 443.591 2.082 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1555266885 MRBSKAMQTACWEN-LJQANCHMSA-N 428.512 2.496 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CCCn2cnnn2)cc1 1555989018 WGFKZYCKWINIPH-UHFFFAOYSA-N 440.309 2.382 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(c3ccc4c(c3)OCCO4)CC2)s1 1558544860 FTCRSMNANSIGCH-UHFFFAOYSA-N 434.539 2.332 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1 1564796155 XRCMZBXSFHUGLR-KRWDZBQOSA-N 441.482 2.314 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)C1 1584001946 IQTTUYBDMMITCD-CYBMUJFWSA-N 431.334 2.274 30 10 IEEE CCOC(=O)[C@]1(F)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC12CCC2 1584293583 XVALJJCUAUSPDD-LJQANCHMSA-N 426.441 2.020 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1587645629 KUHLZMLALOZXRK-YYZBOFOMSA-N 440.454 2.131 30 10 IEEE C=CC1(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)CN(C(=O)OC(C)(C)C)C1 1587745617 RMEFDYAIDSDICJ-UHFFFAOYSA-N 437.562 2.366 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 1587783381 PYRSSFLOEICGCT-UHFFFAOYSA-N 434.544 2.380 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1587837903 KOPCBERSHZABQD-OYRHEFFESA-N 449.603 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCS(C)(=O)=O 1588205501 NVCDDUYTNIORQU-UHFFFAOYSA-N 442.541 2.352 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1589544785 JZRTWFLHANCELP-IPJJNNNSSA-N 444.624 2.391 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1594608787 XCDYRDLDSGPIAB-NRFANRHFSA-N 448.575 2.384 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1594799070 ZAYPLDALJGZUII-UHFFFAOYSA-N 444.536 2.016 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2F)CC1 1595561795 CBVKEQRUKPRNMR-UHFFFAOYSA-N 441.536 2.093 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1595866308 FYRPQRYVJSYQGJ-UHFFFAOYSA-N 444.609 2.324 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1611815994 VQVRXBVZEYKBIJ-LJQANCHMSA-N 445.483 2.267 30 10 IEEE C[C@@H]1CCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1612816967 GAYFLGJKKVAQOX-XLIONFOSSA-N 442.589 2.173 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCc2cccnc21 1613594343 HMTGSZRXGHDWPE-HKUYNNGSSA-N 437.548 2.440 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)O1 1613679987 LMUAPVCHANLAKX-SFYKDHMMSA-N 438.532 2.116 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1615095552 SKWXAMNHLWYYLV-UHFFFAOYSA-N 444.543 2.319 30 10 IEEE CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1615219012 DAAVIOZRBZBPIX-MRXNPFEDSA-N 441.513 2.480 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1617699011 VGAPWSIWOHBBSQ-HXUWFJFHSA-N 434.548 2.122 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccc(F)cc2)C1 1620348447 VORJUACGCOKBGK-OAQYLSRUSA-N 430.459 2.451 30 10 IEEE N#C[C@@H](CO)NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 1624090589 IAPYMZBFCVAWFR-KRWDZBQOSA-N 449.507 2.323 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1632829911 DTEQZJVEONQLCB-SJLPKXTDSA-N 425.432 2.079 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 1634714005 OENFMULZJDWWFE-CHWSQXEVSA-N 429.443 2.326 30 10 IEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1637212596 FOTUSBZZWNOUKM-CYBMUJFWSA-N 433.534 2.391 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)C2)c(=O)nc1O 1637516081 ZHAYKZOARGYSKQ-UHFFFAOYSA-N 431.330 2.191 30 10 IEEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1)C(=O)OC 1637693760 NAPRXRBZRXBOTG-QGZVFWFLSA-N 431.466 2.148 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1640916870 XGXLDJKQUFAVAK-FGZHOGPDSA-N 441.553 2.292 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 1644282319 ZPAHXZZRQMWREE-UHFFFAOYSA-N 440.550 2.189 30 10 IEEE C[C@@](O)(CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C(F)(F)C(F)(F)F 1644636137 VLBWNHHOUDMLIA-SNVBAGLBSA-N 436.365 2.223 30 10 IEEE CCC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1649634607 DCRDVYYZLNNHMZ-GOSISDBHSA-N 433.520 2.143 30 10 IEEE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O 1656831254 BGEDOTGQPNTURT-MRXNPFEDSA-N 446.385 2.121 30 10 IEEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1658966036 DPHLQAITCJKIDB-VQTJNVASSA-N 429.498 2.379 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 1664903641 GRSMVNABHAYJKY-UHFFFAOYSA-N 435.420 2.458 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(Br)cc1 1666749981 JVGPXGYBIJVQAU-ZDUSSCGKSA-N 428.333 2.332 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnn(CCOC)c1 1689847135 SWDXSBGAKHGFTE-SFHVURJKSA-N 430.516 2.480 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1689963931 AWNJNRBORXZTEB-MRXNPFEDSA-N 446.573 2.245 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689986072 IANRBJGKDBQZKI-DMUMMCEESA-N 443.573 2.170 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(Cc2ccc(F)cc2)CC1 1690019793 RRLWFWZEYJNMHX-IBGZPJMESA-N 440.544 2.415 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690161884 UKNITVFSNLEQPI-UHFFFAOYSA-N 448.531 2.439 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690485420 SJVAKNLCHJMBOU-MDZRGWNJSA-N 428.489 2.117 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690678213 OOLWDZJYVGSLCE-GOSISDBHSA-N 432.475 2.037 30 10 IEEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1693192510 AFFGKNJWLOWLDI-HXUWFJFHSA-N 431.566 2.106 30 10 IEEE C[C@@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCCCCO)CCO2 1693876362 BSZYFRDNFSILCS-FDDCHVKYSA-N 441.532 2.276 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1)C(F)(F)F 1697133344 CNUONEOECSGOBB-QGZVFWFLSA-N 436.438 2.453 30 10 IEEE COCC1(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1697800705 JECMBNSMTYDDBE-IBGZPJMESA-N 427.553 2.465 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@H](C(F)F)N1CCOCC1 1705544637 YIQSGMWNNZGSHL-LJQANCHMSA-N 449.502 2.388 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](OC)C(C)(C)C)CC1 1705637291 QBGMXLGPADYCQL-HXUWFJFHSA-N 425.533 2.490 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705744379 AYUOBNNGCRKFPI-UHFFFAOYSA-N 441.985 2.204 30 10 IEEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705824855 BVAGZPVOYVSKKH-FUHWJXTLSA-N 444.511 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1705930793 VXFILKJFFINILJ-UHFFFAOYSA-N 430.534 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc2ccccc2o1 1705934479 NSSQBKAGRMVBSV-QGZVFWFLSA-N 443.529 2.213 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1711116120 KEEMPESRRMUBSM-GWOGKKTRSA-N 428.518 2.354 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1712529991 FFFLQMYKSKPQPX-IIBYNOLFSA-N 436.532 2.093 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C2CC2)ccc1F 1722374448 ZDFYGRPFTTZSIA-OAHLLOKOSA-N 429.521 2.026 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCCn1cnnn1 1722388056 PJWDJPNXXQYFIH-UHFFFAOYSA-N 426.937 2.373 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(N(C)C)CCC2)CC1 1722441228 IUNIDFKCHHKVGN-WOJBJXKFSA-N 428.625 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1722445575 YZTYDNHPGZAQHE-OALUTQOASA-N 444.624 2.041 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCc2nccs2)CC1 1722445709 WPCJUQOCBMLGES-UHFFFAOYSA-N 435.557 2.395 30 10 IEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722741232 FGYFOMMFSPAEKS-FQEVSTJZSA-N 429.590 2.438 30 10 IEEE CC(C)N(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1723519550 CJQZUWSTAJDOQE-SFHVURJKSA-N 448.579 2.380 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1723895237 WCUFMJGBXHOMIA-IXDOHACOSA-N 434.541 2.062 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCOCCCO)n1 1724506438 HRBBNCOGAGUNML-JOCHJYFZSA-N 448.527 2.497 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)c2ccccc2)cn1 1729572671 CMOLUAASCWMJOT-NRFANRHFSA-N 439.545 2.283 30 10 IEEE CON(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1730962909 FSGWEHHHVURWJA-ROUUACIJSA-N 430.534 2.019 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740625220 DVRFGCOCXYSBRI-HLIPFELVSA-N 438.619 2.085 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740719840 MDKZTBLMOFRGBV-GOSISDBHSA-N 441.605 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CC)C(=O)C1 1740752638 YSTVODMSDPMQSY-XLIONFOSSA-N 446.596 2.236 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740862431 SLKRDVBKQROJCT-QGZVFWFLSA-N 440.552 2.019 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740955055 LAZKLOMJTIWTNB-LJQANCHMSA-N 430.516 2.236 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1741005218 FRJZQEWOCJXZPS-QGZVFWFLSA-N 426.546 2.350 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)F)CC1 1741005701 OOKVIYMDABCNHQ-UHFFFAOYSA-N 425.553 2.446 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1)S(C)(=O)=O 1741143120 QAWWSFWLAWKOJR-CVEARBPZSA-N 429.546 2.421 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCc1cccnc1 1741673978 AXRQFGXGKDDPSH-UHFFFAOYSA-N 444.543 2.252 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1741713807 MMLCDPCTPIMDJT-XXBNENTESA-N 447.628 2.083 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)cc1C 1742260901 AHMAQAFMJIUDEI-SFHVURJKSA-N 440.548 2.494 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809871 PZSPNBCLVNPXLP-CTNGQTDRSA-N 441.601 2.220 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2ccccc21 1748826063 LMMZIDZYEXTMHA-MJGOQNOKSA-N 425.558 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCCC 1748892911 XXGFUAMPQJWLBQ-LEWJYISDSA-N 445.633 2.298 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749032398 GGMZJDSQJWEZRV-FQEVSTJZSA-N 431.587 2.030 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1749139448 FKJAGUSQLQVDHJ-AEFFLSMTSA-N 439.626 2.417 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1749449310 PMOFLRFDLIWWLA-JOCHJYFZSA-N 441.557 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1749657874 DQFRPZHLRUTGJT-OAHLLOKOSA-N 445.321 2.047 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2c[nH]nc2C)C1 1749693738 MMRUUTNWCZTSOH-SFHVURJKSA-N 436.520 2.371 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749721567 NXDPUNJOCQYKQP-QGZVFWFLSA-N 437.610 2.231 30 10 IEEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1750162442 UXJYNLAOSWEWQQ-QZTJIDSGSA-N 430.534 2.019 30 10 IEEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)ccc1F 1751419771 SDFXNOBZKFVTMM-UHFFFAOYSA-N 449.490 2.447 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760111644 QEDURXINJHCCMK-NYHFZMIOSA-N 438.557 2.001 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1760118130 YOKIZUPJRZRUAI-IEBWSBKVSA-N 442.589 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCc1cnn(C)n1 1760217312 YCDOJDJZQCBUIN-UHFFFAOYSA-N 439.527 2.355 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760449491 LSWVYKBZDWASPN-AEFFLSMTSA-N 448.593 2.038 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760560714 CRPQRKJVRKWTEJ-SFHVURJKSA-N 446.602 2.254 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1760566137 MHNPDNUWPOFCHJ-KRWDZBQOSA-N 441.667 2.410 30 10 IEEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CCS1 1762504376 BYBVUAOIFIBDPD-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1cccc(C)n1 1763220949 ACGGHVGDNBMBLA-OAQYLSRUSA-N 445.527 2.390 30 10 IEEE COc1ccc(Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c(OC)n1 1770198877 CWIWLCKYAFUHTL-UHFFFAOYSA-N 435.488 2.397 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[C@H]2COCCO2)cc1 1770740305 NQRHGTGQZZRMLL-DLBZAZTESA-N 437.422 2.390 30 10 IEEE C=CCN(C(=O)c1cn(-c2cc(-c3nc(C(C)C)no3)ccn2)cn1)[C@H]1CCN(C)C1=O 1850410090 LHQIXOMIYXEQNO-KRWDZBQOSA-N 435.488 2.300 30 10 IEEE COCc1c(C(=O)NCC#CCN2CCCCC2)nnn1-c1cc(Cl)ccc1OC 1850617492 DQUGPZMIESHTQR-UHFFFAOYSA-N 431.924 2.295 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)CC1 1851027323 VGQOTVXLWPDNPE-NRFANRHFSA-N 448.527 2.164 30 10 IEEE O=C(CCn1cnc2ccccc2c1=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851716104 JORXQHGPLLNXPX-UHFFFAOYSA-N 430.408 2.047 30 10 IEEE C=CCN(Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 1853561763 OVKXQCMWALQBOL-GOSISDBHSA-N 443.569 2.282 30 10 IEEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)CCc1ccccc1 1854745665 ZAISLMCHMGFZGU-UHFFFAOYSA-N 425.510 2.194 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862563924 NYTDMINKVZFQIC-FQEVSTJZSA-N 439.468 2.000 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)ccc1O 1862755027 VKMFYICFDNEJKS-IBGZPJMESA-N 441.440 2.449 30 10 IEEE COc1ccccc1-c1nc(CC(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)c(C)o1 1866671611 NYJFQKHIMGRQIT-IBGZPJMESA-N 434.452 2.189 30 10 IEEE CS(=O)(=O)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccccc1C#N 1867019687 WGBKGMOVLRGLOJ-IBGZPJMESA-N 445.566 2.350 30 10 IEEE N#Cc1cccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 1870113250 VAAIFZZNUGVZLQ-UHFFFAOYSA-N 431.368 2.097 30 10 IEEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCC(N)=O)cc(Br)c1O 1874488571 YGMMTCCCMBLNKS-FBCYGCLPSA-N 442.339 2.413 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 1889405438 KAHLGPKFIJAJNA-UHFFFAOYSA-N 439.478 2.457 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cs1 1891212855 MRTALAUBUMCGGC-CQSZACIVSA-N 428.514 2.241 30 10 IEEE O=C(O)c1cc(S(=O)(=O)NCC#CBr)cc(Br)c1Cl 1895122241 CYSLQNCKYUPQCY-UHFFFAOYSA-N 431.489 2.435 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2010227454 ONWIKDXKTLCKKP-BRWVUGGUSA-N 439.553 2.027 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 2054332355 AZHRUOQCXNGCLK-INIZCTEOSA-N 439.372 2.327 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060626429 WZJZYUIMSXIQPN-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C=C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060635539 MVJMMOZWXYPYAO-ZFWWWQNUSA-N 430.314 2.184 30 10 IEEE C=CCn1ncc(NCC2(CNC(=O)OC(C)(C)C)COC2)c(Br)c1=O 2120310702 QHHKNHUHJQDRKH-UHFFFAOYSA-N 429.315 2.145 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(C#CCO)cc1 2145938894 OEAZXRIEORJBPV-UHFFFAOYSA-N 426.494 2.239 30 10 IEEE C#C[C@@]1(C)COCCN1C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2215659277 XTEGEIBNZUGHHY-BJKOFHAPSA-N 427.545 2.407 30 10 IEEE Cc1cnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232268095 JIEJZKMRJHLFTI-AEFFLSMTSA-N 447.385 2.401 30 10 IEEE C=C(CS(=O)(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243417144 QGIRQEMNFHYNJV-HNNXBMFYSA-N 430.376 2.445 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254751362 KLUTZNKELBHCMP-DZGCQCFKSA-N 438.305 2.438 30 10 IEEE CC(C)N(CCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255607199 ZOZRUOQHSWAGOU-UHFFFAOYSA-N 436.362 2.474 30 10 IEEE CC(C)[C@@H](CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255627760 YCLGJTKRUWTWMX-OAHLLOKOSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255697099 DEWPWGTXFAHFOH-MRXNPFEDSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256013163 CDLGKENKYSLUKT-UHFFFAOYSA-N 432.326 2.477 30 10 IEEE C[C@@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256612455 DQQKTCANILEFIF-RHSMWYFYSA-N 434.342 2.049 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256887810 YWQDJKUGRORFRP-OAQYLSRUSA-N 437.321 2.304 30 10 IEEE CN(C)C[C@H](COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2256926389 BBCDPMJBEBVJRM-OAHLLOKOSA-N 439.337 2.354 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001637 NSBGLJABVLOKLO-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267091169 PNOOVFQMBWYEAC-GOEBONIOSA-N 446.357 2.180 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)[nH]n2)OC1(C)C 2267148177 ZQSVHARZLVBJJO-IPMKNSEASA-N 436.365 2.349 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C 2267152697 SJBBIKSNTCARCH-GJZGRUSLSA-N 448.373 2.155 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267189065 VMKZSJXXANUTNO-HKUYNNGSSA-N 438.381 2.217 30 10 IEEE Cn1cc(C(=O)NCC[C@@]2(C)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267521782 UTBJUJFONOBVEK-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCC1 2267523438 BIYWPIIFJLZMRR-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE Cn1cc(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267525869 KDVAZAUSMCGJDL-XMMPIXPASA-N 438.381 2.361 30 10 IEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 2267807789 PVMKHRUHYURLBJ-UHFFFAOYSA-N 448.325 2.314 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339996 MKZWICACDQJZOU-OLZOCXBDSA-N 437.371 2.333 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322299396 NMDHWRMASROZHF-RYUDHWBXSA-N 431.239 2.413 30 10 IEEE C=C(C)CSc1nnc(CNC(C)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330752861 XRZZDUAKYCDUHJ-UHFFFAOYSA-N 432.462 2.144 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2nnc[nH]2)[nH]1)c1ccc(Br)cc1 21081778 CHOYPEKYDUVWLU-DNTJNYDQSA-N 436.299 2.252 30 10 IEEE Cc1cc(C)c(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)cc1C 22694473 UIDPDYDWAUWTBY-UHFFFAOYSA-O 428.578 2.466 30 10 IEEE CN(C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(C)(C)C#N 27201333 XQVXJTMIGGNVKA-IBGZPJMESA-N 433.464 2.198 30 10 IEEE C[C@H](Oc1cccc(C#N)c1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 109945521 JJWFBUDVJUCQJH-INIZCTEOSA-N 426.904 2.444 30 10 IEEE C#CCN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCS(=O)(=O)C1 160433674 DUGMUUXGRKYREK-NSHDSACASA-N 435.137 2.474 30 10 IEEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 460812704 YGNIKVUUUHFARC-QGZVFWFLSA-N 433.520 2.385 30 10 IEEE CSC[C@](C)(C#N)NC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 464573910 ALXZIXNMOKLJEU-FNLITVRXSA-N 435.549 2.227 30 10 IEEE COc1cc(CN2CC[C@H](NC(=O)c3cc(C#N)c(SC)nc3O)C2)cc(OC)c1 476404449 CIKGBIQIHILHML-HNNXBMFYSA-N 428.514 2.402 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)cc1 477003197 OZEROQJVZSLOFW-UHFFFAOYSA-N 432.523 2.120 30 10 IEEE CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1 478829065 SBNWUTHACZOVLU-UHFFFAOYSA-N 425.507 2.004 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)CC1 487273053 SFNCYYYHPRXUAR-VWPQPMDRSA-N 436.537 2.160 30 10 IEEE Cc1ncc(S(=O)(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1C#N 489878641 YDXVIVLHMHVDIZ-UHFFFAOYSA-N 439.497 2.109 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 508998356 CTHHWZXRHLZNCF-SFHVURJKSA-N 430.484 2.482 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCC(C(=O)NCCc3cccs3)CC2)c1 513787558 ASUKWMKXSGLTFG-UHFFFAOYSA-N 431.583 2.464 30 10 IEEE COC(=O)c1ccc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@@H](C)C2)cc1 513789037 BKUZZVGDVPHBTC-KRWDZBQOSA-N 427.526 2.329 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(F)cc3F)c2=O)cn1 523578714 AVSMBZZKTYFXIW-UHFFFAOYSA-N 440.475 2.266 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 555271510 DIGYQYZCIHAOOG-APWZRJJASA-N 435.488 2.360 30 10 IEEE CSc1nc(O)c(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)cc1C#N 561392496 CIOGZHFERKGUSW-UHFFFAOYSA-N 440.934 2.051 30 10 IEEE COc1ccc(CC(=O)OCCN2CCN(C(=O)c3cccc(C#N)c3)CC2)c(OC)c1 586392471 BCVBEEJSDLCNAY-UHFFFAOYSA-N 437.496 2.119 30 10 IEEE CCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729670896 PLLKSKPSRPQDFV-LPHOPBHVSA-N 449.580 2.165 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccccc1 732795500 KMCBQRIZCDUTOU-UHFFFAOYSA-N 449.580 2.155 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 733894588 CYVHXQRXDCVQIR-DSGGYQJVSA-N 439.447 2.498 30 10 IEEE CC(C)N1C(=O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 742820449 CQVMKOCAHNTCDO-UHFFFAOYSA-N 448.589 2.143 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1 744007564 MMLLONWPMMLTBG-UHFFFAOYSA-N 425.422 2.244 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Cl)c1 749313144 KXSQCJVTOHQLED-ZDUSSCGKSA-N 443.909 2.260 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 765727372 YXTZUEOEFQTSBA-UHFFFAOYSA-N 441.513 2.343 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)c(Br)c2)c1=O 767957271 BWSNGFQVQZXOBO-UHFFFAOYSA-N 441.350 2.486 30 10 IEEE CC(C)(O)CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N 774283517 HUHNHWMAQKNIMV-INIZCTEOSA-N 438.513 2.470 30 10 IEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780881844 VAYNIWFWGKCUPZ-WOJBJXKFSA-N 427.888 2.304 30 10 IEEE CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784973829 FHYURLDHEBZCFD-LTUQMTLXSA-N 432.546 2.253 30 10 IEEE COc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)ccc1F 786882996 YXVLFPNMOFTDGT-UZYVYHOESA-N 441.506 2.448 30 10 IEEE COc1cc(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cnc1Br 788378230 BVXAMRDDBPXSCF-ZDUSSCGKSA-N 433.218 2.400 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)n1 788658550 AYKJFCOEWKOXTD-QGZVFWFLSA-N 426.443 2.328 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)n1 788969601 VAKSHGROMIUQNA-UHFFFAOYSA-N 437.544 2.288 30 10 IEEE COc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)c(OC)c1 789966691 HMWGQJUWVVBQGV-INIZCTEOSA-N 428.518 2.324 30 10 IEEE Cc1cnn(Cc2cc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)no2)c1 791171157 MUGCOUPWBVHMJX-UHFFFAOYSA-N 431.250 2.024 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2OC)C1 797809030 WRAUJJPGIRXOFM-JKIFEVAISA-N 433.530 2.495 30 10 IEEE C#CCCS(=O)(=O)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 810780253 VQOUWYVOURSFOY-CQSZACIVSA-N 429.926 2.469 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)C2)nc1 814138642 YQAPYSLMXKEFKY-WMZHIEFXSA-N 436.468 2.018 30 10 IEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)c1 1083999047 PCUAOQCEKJQXKN-UHFFFAOYSA-N 442.461 2.086 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)cc1 1084051057 GZXCMRIBCRRICE-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 1152129105 UXNNUHFOBFNVSW-UHFFFAOYSA-N 431.470 2.025 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3ccccc3CC#N)CC2)cc1 1160609222 DORWKBQBHLYZAV-UHFFFAOYSA-N 431.539 2.374 30 10 IEEE C#Cc1cccc(N(CC)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)c1 1168107240 UXGXYGJJMVPEGO-UHFFFAOYSA-N 430.508 2.351 30 10 IEEE Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)cn1 1171897637 IPKVYIIYGPIQRW-ZWKOTPCHSA-N 437.496 2.474 30 10 IEEE C#C[C@H]1COCCN1C(=O)Nc1cc(C(=O)OCC)ccc1I 1208378519 NIAIJOJDKPVFDR-LBPRGKRZSA-N 428.226 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]2C[C@H]21 1248376448 YOIUAAANBFADRJ-CEXWTWQISA-N 439.516 2.062 30 10 IEEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1266809982 ZYVCBLXOKKZRJY-AWEZNQCLSA-N 428.411 2.076 30 10 IEEE CSC[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1279052980 KNXPCTRNPPIRLW-HLLBOEOZSA-N 446.598 2.175 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286320559 DLVLUHLWOKWZAL-UHFFFAOYSA-N 438.624 2.477 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1ccnn1 1286367105 IQGYSQMZXCIRGP-UHFFFAOYSA-N 430.310 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1286386817 HYBKWQWVXRZLQS-SJORKVTESA-N 431.587 2.110 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccnc1OC 1286466042 BSGDKFHNGHOBLV-UHFFFAOYSA-N 431.500 2.055 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)[C@@H](C)CCC)CC1 1286486235 JNNBVEBYETWAOE-KRWDZBQOSA-N 430.597 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC=C(C)C)CC1 1286488925 YJFBNVCRDXOPEZ-QHCPKHFHSA-N 429.565 2.252 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286545827 CAHGAWYORAVHCH-QKLQHJQFSA-N 427.553 2.360 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286717467 YOAHXZZQEBSYAX-APWZRJJASA-N 447.502 2.204 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286791186 PAYZJAWPQJUFBL-UHFFFAOYSA-N 427.509 2.014 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCSCC2)CCCC1 1288099610 DVSZYQSEETUBAU-HXUWFJFHSA-N 449.600 2.220 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@@H](C)O1 1291278821 CPSUAILHQAOFTE-QKLQHJQFSA-N 427.505 2.148 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1300310064 KLAOUVCMLPYUID-LBUQITIBSA-N 433.553 2.205 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1300336337 DCESWLRNJBQFQA-IBGZPJMESA-N 426.565 2.060 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@H]1C 1300458754 MVCOZSFBVXZCJX-KSFYIVLOSA-N 433.553 2.002 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CCS(=O)(=O)CC1 1300512352 WSVJBUHFQRPABM-UHFFFAOYSA-N 448.495 2.444 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1301506719 PREWOUYCANDPBF-XMMPIXPASA-N 432.528 2.318 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1301981571 MBWKJYZYAUALPF-ZIFCJYIRSA-N 425.537 2.394 30 10 IEEE C[C@@H](CC(=O)NCC(=O)c1cccc(F)c1Cl)/N=C1/NS(=O)(=O)c2ccccc21 1302099600 BERFSEHXZBBDOU-NSHDSACASA-N 437.880 2.295 30 10 IEEE C#CCN(C(=O)c1ccnc(N2CCN(C)CC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656412 WPUYMRSLWMQQFU-UHFFFAOYSA-N 441.576 2.308 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1311610857 GYJBYILLWJGBMJ-MRXNPFEDSA-N 441.550 2.161 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)cc1 1312890259 JPHMHWYOXANYME-UHFFFAOYSA-N 432.527 2.038 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1316212318 WRZRSMJIECQCDN-IYWMVGAKSA-N 434.585 2.099 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1316535842 CWLNOBAHTQKLLB-SFHVURJKSA-N 439.495 2.126 30 10 IEEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CCCOC1 1348507709 DPIDQIQJJMUVET-KRWDZBQOSA-N 432.329 2.147 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Br)ccc2-n2cnnn2)c1 1354647680 YIECXOVKUYXVKZ-UHFFFAOYSA-N 439.273 2.117 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)cc1 1357310082 PRLUHALOFMTIEG-UHFFFAOYSA-N 434.518 2.434 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1358905309 XAIQNLUJMJCGPI-KRWDZBQOSA-N 430.578 2.148 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1359039441 JIEWLIIAIUVQLE-RBUKOAKNSA-N 446.596 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1359064266 OVYOKMAJSUWDBO-DYESRHJHSA-N 436.626 2.002 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1359070600 PXYDLDGXJVDASH-YSGRDPCXSA-N 434.587 2.142 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1 1359282016 PADJLLVJGUMQLR-ZBFHGGJFSA-N 439.607 2.388 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359299256 AEKTYJRJIPGLRM-PMACEKPBSA-N 447.580 2.376 30 10 IEEE CC(C)(C)[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1359494966 JNYDKKIOXCFTQQ-NRFANRHFSA-N 446.577 2.007 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359631292 XCEUFBOQMOSQIG-VQTJNVASSA-N 449.559 2.226 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1360483624 ZMHMXYWRFSVDOV-NCOADZHNSA-N 434.541 2.203 30 10 IEEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1440686481 SJAOMMDJOZMSCS-DBVUQKKJSA-N 448.539 2.398 30 10 IEEE C=C(CC)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1451457675 UHDRQPAGAVCZST-HNNXBMFYSA-N 431.352 2.065 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)C2)c(F)c1 1452523953 HNAWWHGBYQKXRJ-LSDHHAIUSA-N 426.414 2.441 30 10 IEEE COC(=O)COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1466727613 VFZSNGHQPQJVTG-ZDUSSCGKSA-N 434.445 2.166 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C)C(=O)OC 1467516654 UWDMIGHVYCKYDP-RBUKOAKNSA-N 445.516 2.464 30 10 IEEE CC1CC(n2nnc3c2CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC3)C1 1469730641 XMBKYLIBCAZHBY-CLKYRPBMSA-N 429.525 2.076 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 1469913322 TUYCIGHEAFLKNX-HNAYVOBHSA-N 429.498 2.198 30 10 IEEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1471091189 XQMSMEFWJZJKKY-UHFFFAOYSA-N 431.489 2.383 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)nnn2C 1475195618 NYMWICPXEQVXJT-HXUWFJFHSA-N 428.514 2.319 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1 1475973715 NBGUDJGNRTVNDU-UHFFFAOYSA-N 430.486 2.492 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1476730184 YJDAEEISBLVULL-GFCCVEGCSA-N 432.340 2.417 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@H](O)C2)c1 1507549979 CXVXANYBBVXPJZ-SBHAEUEKSA-N 437.544 2.389 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)COC)CC1 1507576813 MYOFPUDWWQCMDU-UHFFFAOYSA-N 433.459 2.255 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507591288 KLSOBQLNCHZMKR-QGZVFWFLSA-N 444.580 2.473 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)NCC)cc1 1507656963 MEUJNZVSRYNFHD-UHFFFAOYSA-N 429.528 2.011 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(S(C)(=O)=O)cc1 1507657596 ZRIYIHVVAYHEIX-UHFFFAOYSA-N 439.566 2.158 30 10 IEEE C#CCN(CC)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507698981 XCCBNSRQXBKMPJ-OKZBNKHCSA-N 433.553 2.299 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CCC)C2)CC1 1507720577 LTNHSFMABJOZMO-LJQANCHMSA-N 437.548 2.340 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507747415 JOOSIKNNUSROMH-INIZCTEOSA-N 431.587 2.443 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H]1CC 1507802232 AIWKLDJWOIDFFD-JCECYMMASA-N 425.599 2.494 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1507807376 VKNAEWAMNVMQDX-NQIIRXRSSA-N 442.539 2.451 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F 1507853396 FQUUAQJSCCCKAS-UHFFFAOYSA-N 437.842 2.171 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1507991704 SRFOQEJNIVUYSQ-MRXNPFEDSA-N 430.534 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508080102 KMJZFKVTEZMCQR-INIZCTEOSA-N 443.552 2.411 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1C(C)(C)C 1508148083 FXVXAXNDSDIFJC-KRWDZBQOSA-N 440.610 2.198 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1508223553 JWTNIHIZNNNATR-YUXAGFNASA-N 448.543 2.019 30 10 IEEE CCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCOCC1 1513623095 BQMJNRAZOPCWKX-PGRDOPGGSA-N 433.553 2.254 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1514275471 JILPEBQPYAIWEN-XDHUDOTRSA-N 449.559 2.086 30 10 IEEE CCCCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1514514210 CHCHXIBQXBXZEQ-AEFFLSMTSA-N 446.577 2.398 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1521155034 OSLAXZVFUPGDLC-UHFFFAOYSA-N 449.968 2.159 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1528415549 SGDCWUPFEYKKLH-UHFFFAOYSA-N 438.259 2.433 30 10 IEEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1535243645 YBZSSPONDHXPLX-OSPHWJPCSA-N 437.544 2.344 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2c(C)nn(C)c2C)n1 1539424500 RCJMWSVVYCDOMZ-UHFFFAOYSA-N 447.547 2.155 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1540863194 QZJIZSDGOCAWQW-AQNXPRMDSA-N 431.629 2.089 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccco2)N(C)C)C1 1540881289 DUJKOKKLNNITQH-QZTJIDSGSA-N 428.537 2.191 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1540890948 MZEIYBMWFPFRNY-RBUKOAKNSA-N 446.573 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)NCC3CCN(CC#N)CC3)CCC2)C1 1543478253 GFGVCEVIOSHNAH-QHCPKHFHSA-N 434.581 2.270 30 10 IEEE C#CCN(C(=O)c1nc(C)n(-c2nc[nH]n2)n1)[C@H]1CCOc2ccc(Br)cc21 1543685939 QYRRADZUXKRDRN-AWEZNQCLSA-N 442.277 2.056 30 10 IEEE C=CCNC(=O)CNC(=O)c1cc(Br)cc(I)c1C 1546181384 FVLDUDBIGDGGIK-UHFFFAOYSA-N 437.075 2.394 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1554421205 AQXYCYBEVVPWIN-TZIWHRDSSA-N 449.559 2.038 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC2CC2)C1 1555985510 PZGAHAWKBPCUIR-GOSISDBHSA-N 438.916 2.260 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCNC(=O)c2ccco2)cc1 1555990020 CLFSLGXOJHBPER-UHFFFAOYSA-N 438.513 2.305 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1556915317 KGTCEXQNSXEZDC-NRFANRHFSA-N 435.546 2.086 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1587600098 ULNNHNWKRWYGBB-QYZOEREBSA-N 433.564 2.499 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C(C)C 1588139057 KNVYIYPONPQXSC-RTBURBONSA-N 445.564 2.330 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)c2nccs2)CC1 1588732620 FBDCRAKSXDGOCD-MRXNPFEDSA-N 429.594 2.212 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1588811922 NHCRGINDMZVTDC-NRFANRHFSA-N 439.560 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCc2cccc(C)n2)CC1 1588967721 AGJFIKGMDOYZKP-OAQYLSRUSA-N 436.560 2.432 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1593721719 CVZHVLZAZFBTOF-UHFFFAOYSA-N 448.545 2.280 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1593878306 HDOOENQRMMEQCW-MSOLQXFVSA-N 436.988 2.405 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1594484094 NPFPNKBUCIHFDN-INIZCTEOSA-N 449.559 2.461 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1594963029 OTVQQZPVJDFUIF-SFTDATJTSA-N 443.617 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(C)CC1 1595812016 KPPCJCPSETYETC-UHFFFAOYSA-N 426.546 2.274 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1611256992 SSYRSPSBWQAELS-PLGXQAJASA-N 426.477 2.099 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1611695296 ZWQRHNMHPNLZHW-ARFHVFGLSA-N 432.550 2.418 30 10 IEEE N#Cc1cc(N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ncc1Br 1611950645 VMXXELWIUMXAOU-HNNXBMFYSA-N 444.337 2.423 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C#N)CC1 1615838389 LDMFOCSGIOPCKF-QZTJIDSGSA-N 440.552 2.475 30 10 IEEE CCOCc1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616835267 JJNVJNNIMMUTQR-DKYWCIHHSA-N 428.537 2.358 30 10 IEEE CN(CC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1617814187 DABJVXLJWSKELK-UHFFFAOYSA-N 431.562 2.239 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C2 1620642854 MKSUJQJRWXNPLT-UHFFFAOYSA-N 426.470 2.195 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1624249222 PPLPZCBDBIMVHF-ZJBJCVSYSA-N 445.541 2.026 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1)C(C)C 1627131759 ZEBQDHISFMZSQM-SFHVURJKSA-N 442.622 2.338 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(F)cc(I)c2N)CC1 1627800411 SWMWOFJXSDSDOF-AWEZNQCLSA-N 430.265 2.318 30 10 IEEE CC[C@@H](C#N)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1629364816 NEJJDHNCMRZAML-RKPNYOAGSA-N 433.486 2.415 30 10 IEEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1629536843 FWOPNOPRZWHMIP-UHFFFAOYSA-N 437.565 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 1634118409 CSUBIEJGGCNSLM-HXUWFJFHSA-N 430.549 2.431 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ncccc3C#N)CC1)CCS2 1638884679 SBCLVZFHQJXJMK-BQIYRTECSA-N 429.546 2.002 30 10 IEEE C#CC1(O)CN(C(=O)COc2c(I)cc(Cl)c3cccnc23)C1 1640069902 IDFQTKXWZLWNFH-UHFFFAOYSA-N 442.640 2.078 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)C1 1640308675 SGRPIADHXDFEFW-IBGZPJMESA-N 448.361 2.441 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1641104138 MIZSHNVPBYYCGO-VGSWGCGISA-N 439.541 2.485 30 10 IEEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1642213630 XLPZUJZLAFEYSB-MAUKXSAKSA-N 429.542 2.339 30 10 IEEE CSCC[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1642539443 BJOULSZEWHETFK-HSALFYBXSA-N 440.569 2.478 30 10 IEEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@]2(C)C1 1644027776 ZQBODIKCTYRLER-OYRHEFFESA-N 434.562 2.306 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1OC 1652909803 USKMZIUBZCFLHX-UITAMQMPSA-N 436.516 2.267 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(F)cc2Br)c1=O 1652998892 WRASIQBQVVOLJU-UHFFFAOYSA-N 438.253 2.173 30 10 IEEE C#CCN(CC(=O)NC1(C(=O)OC)CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1660151445 CGBLJUXSIAXKND-UHFFFAOYSA-N 435.565 2.313 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O 1660151731 JBADOCXVJUVQDF-GOSISDBHSA-N 435.565 2.264 30 10 IEEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1662114388 UVCWDNLKZVUVCV-QGZVFWFLSA-N 438.571 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCc3ccc(CC#N)cc3)nn2)C1 1673936304 UGBFUUAJWDHWFI-UHFFFAOYSA-N 425.493 2.135 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1689955652 ORTQQSHPRCUVLE-KRWDZBQOSA-N 436.516 2.432 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(C)C)c1 1690019471 JRKOJJDEAWCMGC-HXUWFJFHSA-N 440.569 2.336 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1690113488 KYPRHPOFNFJTOV-DEOSSOPVSA-N 439.560 2.051 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C2CCCCC2)CC1 1690374098 OQHVTKDTZSAZTD-KRWDZBQOSA-N 435.594 2.128 30 10 IEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690506473 OUASWPMBPXZGFS-UHFFFAOYSA-N 441.580 2.000 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1690673145 PIAUUVDZVCKXIE-OAQYLSRUSA-N 443.511 2.016 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1690678246 PJLXJHIEFLEKGK-IBGZPJMESA-N 440.548 2.134 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)OC(C)(C)C)C1 1690697175 PVEMLUBLJLNWOV-INIZCTEOSA-N 429.525 2.431 30 10 IEEE CC(C)CSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1692459815 ZKOFQYHPTGFVIA-GOSISDBHSA-N 425.562 2.420 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1696496161 QTLHCSUSEWSHDO-HOTGVXAUSA-N 448.618 2.476 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CC1 1696687840 AQSSXUKYKUIDRV-YTTGMZPUSA-N 449.540 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1705501144 WQIJBSIEPKBOQZ-ANZZGNCFSA-N 443.511 2.265 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705508383 UNKMBIMQJQQJOO-UHFFFAOYSA-N 443.640 2.215 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705536610 SDDHBXVDNKTBJF-UHFFFAOYSA-N 449.588 2.287 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNS(=O)(=O)CC 1705557337 OAMWPVHRRBEIHF-UHFFFAOYSA-N 446.360 2.173 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1705699947 NJYCQSSWLCYWSN-RYRKJORJSA-N 435.550 2.094 30 10 IEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(F)(F)F)C1 1705832702 FZQCBPDEBQGPSJ-JYJNAYRXSA-N 434.459 2.362 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705892762 FWSWZRGTNRFHTC-UHFFFAOYSA-N 437.479 2.003 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N 1705931415 PDSUHFQRCOMQFE-GFCCVEGCSA-N 441.355 2.375 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1706074897 GOPCSOKUQRWLJH-SUMDDJOVSA-N 448.568 2.218 30 10 IEEE CC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709266149 ODISDCFNFGTGES-GFGLJSBJSA-N 428.537 2.325 30 10 IEEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1710065081 CPWPHERCQRAUHB-UHFFFAOYSA-N 430.578 2.029 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2conc2COC)CCOC1 1710463424 FEHWYTPFFVTAGQ-NHCUHLMSSA-N 430.509 2.243 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCc2ccn(C)n2)c1 1722307059 QTAWIXKWFVPEBE-HXUWFJFHSA-N 433.516 2.162 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1OC 1722357361 AKMVUMKVPKFQGW-FJIDUMEYSA-N 433.553 2.170 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 1722368675 UPWIBNMHPMLQDD-MRXNPFEDSA-N 444.586 2.156 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)c1cccc(O)c1 1722415351 CSPITIFPUQYXHA-UHFFFAOYSA-N 435.532 2.125 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1COCCO1 1722423924 URTDSERCRNODTE-KRWDZBQOSA-N 434.924 2.499 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)CCCS2)CC1 1722431352 OGEHWFUBYHCFPQ-FCHUYYIVSA-N 433.622 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCOC)CC1 1722449414 JEQMUHSDZBMQPJ-UHFFFAOYSA-N 439.560 2.476 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722609288 UZZDWLILVMAIFP-MGPUTAFESA-N 437.541 2.092 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722686067 QLDNZHXMSQQIEX-INIZCTEOSA-N 432.525 2.219 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](COc2ccccc2)C1 1722729197 XXMGKFOBZJQPDG-RBUKOAKNSA-N 446.573 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722730001 FAKSJBZIBZYHFQ-UZLBHIALSA-N 443.573 2.158 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722813978 IDOYISZTBFOIAZ-RBBKRZOGSA-N 449.559 2.180 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722902522 WLWJUVDLKFTPEY-NHKNDPDJSA-N 442.564 2.355 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CC1=O 1730776119 FKMMFBCVTSNXIS-HXUWFJFHSA-N 447.543 2.442 30 10 IEEE COCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1730811339 OHQGGWQSQCKJJM-IBGZPJMESA-N 442.520 2.012 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740576293 ZZBWMWITSDMDRO-ROUUACIJSA-N 429.546 2.036 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1740600152 JIXVPZFLKFYMOZ-HJPURHCSSA-N 426.517 2.380 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H]1OC 1740602498 NLFUMHOWFWDNGC-PKOBYXMFSA-N 431.562 2.080 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC=CCO1 1740643234 JITQRAARBYUZIU-XMMPIXPASA-N 444.583 2.061 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCO2)CC1 1740707988 YOTGFWAIBYNQNZ-VAMGGRTRSA-N 443.592 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740759503 JRLJCMPTDWILMK-RQGSJKACSA-N 427.549 2.485 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC2CC2)CC1 1740834323 RLWXRQNOWLUOBI-UHFFFAOYSA-N 444.561 2.153 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740842947 RKJMQPLUWCJVQV-INIZCTEOSA-N 425.599 2.422 30 10 IEEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740880319 FCQKZMLABYNKES-UYAOXDASSA-N 432.613 2.373 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCNC(=O)c1cc[nH]n1 1740921660 CPYMMSAZJVJRRD-UHFFFAOYSA-N 435.517 2.142 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740968672 DFPUVFMGJKRVJI-SFHVURJKSA-N 431.562 2.287 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1740977340 UHTUEZAMENOYHM-NSHGMRRFSA-N 443.596 2.348 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCCCC1 1747129173 CDINRPFLMFNHDJ-KRWDZBQOSA-N 439.564 2.472 30 10 IEEE CCOCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1747331626 HKPOAERIEHABFQ-UHFFFAOYSA-N 436.495 2.499 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1747433198 MWSGPQKOJVSLPY-INIZCTEOSA-N 446.577 2.150 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1748702708 BIEKSOKOVNMARA-SFHVURJKSA-N 446.533 2.175 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCN(CCN(C)C)CC1 1748783405 LGMHRJSUKBMNRQ-UHFFFAOYSA-N 446.603 2.474 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1748809641 VHTJGKPUCGTFKX-KRWDZBQOSA-N 441.469 2.121 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOCC2)CC1 1748984627 WROCRHNOGAIFSC-UHFFFAOYSA-N 428.968 2.076 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(C)(C)O)c2)CC1 1748993246 RXQWAGCXFQJAFV-UHFFFAOYSA-N 430.556 2.295 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1749026998 KRLNQNAKEJRKNU-UHFFFAOYSA-N 427.574 2.345 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC1(C)C 1749200510 XVGKZZDNZZYMJU-LJQANCHMSA-N 431.500 2.220 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749356417 PKDRQRVPDYKGDM-GOSISDBHSA-N 428.512 2.496 30 10 IEEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749386384 DKQHBKGSPHLMPD-LJQANCHMSA-N 440.548 2.455 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1)C1CC1 1749515308 WCALHOYVVXPQOD-UHFFFAOYSA-N 441.532 2.399 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C)C1CC1 1749519492 LVUPIZHOQVKMHK-KRWDZBQOSA-N 437.591 2.184 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1750549857 AIEHNGACAOKOQH-HXUWFJFHSA-N 432.532 2.340 30 10 IEEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCSC2)CCOC1 1751014491 VXIDOKKKUXPUKL-NHCUHLMSSA-N 435.594 2.317 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760140400 MGJZTAXSDIIWQF-FQEVSTJZSA-N 444.605 2.175 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760260680 BRQOSGKAERFMSC-HYBUGGRVSA-N 425.577 2.452 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(N(C)C(C)=O)CC1 1760302112 TVNSTGKTDOIHEH-AWEZNQCLSA-N 444.374 2.358 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1760489276 FAWHOYNUERRLID-QUCCMNQESA-N 438.580 2.186 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccc1F 1761493391 HSSXSTNXYFTOMJ-FOIQADDNSA-N 434.541 2.400 30 10 IEEE CC1(C)CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1761555210 OLHVVRHGJMPBKA-MXLIYFDZSA-N 428.537 2.325 30 10 IEEE CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1766186176 BLPMWNDQLVNQNU-HNAYVOBHSA-N 426.587 2.081 30 10 IEEE CN(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1766891856 CMUPYUCAIBPJAI-NHCUHLMSSA-N 435.507 2.435 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1769141203 HELQBRLDENWYRL-KUHUBIRLSA-N 436.472 2.122 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1769434179 BUBMNAIHKVUMAD-MBSDFSHPSA-N 438.532 2.070 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CCO1 1770941104 SWAQILJVGPKYET-LEWJYISDSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCc1nc(C)no1 1771298538 PEXPCPXSHUSDOA-MDKPJZGXSA-N 429.525 2.456 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1771529482 OMWOBCBBQPDILT-KSSFIOAISA-N 438.916 2.403 30 10 IEEE COc1ccccc1OC[C@H](O)CN1CC[N+]([O-])(CC(=O)Nc2c(C)cccc2C)CC1 1848438806 ZYRUUIZWBHDISU-HXUWFJFHSA-N 443.544 2.321 30 10 IEEE O=C(NCC#CCN1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1850067498 YGOSVPRRVUKBMA-HNNXBMFYSA-N 429.995 2.018 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)cc1C 1851203123 DNQJYCPVUXPNNC-NRFANRHFSA-N 447.539 2.288 30 10 IEEE Cc1ccc([C@@H]2[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cc1 1851892195 KOYAMPPVHWOMEJ-FYYLOGMGSA-N 447.539 2.147 30 10 IEEE Cc1[nH]nc(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C#N 1851983837 YVXIKRNLULVSLY-UHFFFAOYSA-N 427.818 2.418 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)[C@H]1CCCN1c1ccccn1 1853111777 NTTIQQFLPCZJIY-MRXNPFEDSA-N 446.964 2.397 30 10 IEEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)C1 1855520507 DMMYOQFHPXXWKW-CQSZACIVSA-N 445.994 2.049 30 10 IEEE CC(C)(CC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O)c1ccccc1 1856635680 QBULLAOPOZJWAX-SFHVURJKSA-N 433.530 2.267 30 10 IEEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 1858111418 NIVIVRMXKFHZLV-MRXNPFEDSA-N 430.505 2.424 30 10 IEEE N#Cc1ccccc1NC(=O)CCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1O 1859133047 AOVKFAMHMBIOFR-UHFFFAOYSA-N 433.384 2.181 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862597536 VLBZFSSCGMNVHC-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C)CC1 1870349558 RWLIXMXLXZBSGB-UHFFFAOYSA-N 437.588 2.388 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc(F)c2)cc1OC 1874237877 LMZVGWZGMFJPJA-FOKLQQMPSA-N 429.477 2.485 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)O1 2010545278 TULUVOZFXUHQTM-AABGKKOBSA-N 428.533 2.295 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)C1 2011681788 MYAOIXGNAVRTMK-HOTGVXAUSA-N 439.553 2.334 30 10 IEEE CO[C@@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2060637061 GEDZOYUQJUFBBK-YYIAUSFCSA-N 436.358 2.419 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)n1 2121897005 QJUVWJPGQQQSOO-NSHDSACASA-N 434.165 2.430 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 2174786305 IPNQLOYPIXWUNY-HXUWFJFHSA-N 429.498 2.015 30 10 IEEE C[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243417107 QDCYUYKSTQQDAM-GFCCVEGCSA-N 446.400 2.239 30 10 IEEE CN(CCOCc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247877422 HBEQEPXUVRPSHN-UHFFFAOYSA-N 432.351 2.218 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2247916654 BSULTSRJBKSQEH-UHFFFAOYSA-N 437.371 2.444 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396802 FAAWHLUQDAXTFN-GFCCVEGCSA-N 443.350 2.311 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCCNC(=O)OC(C)(C)C 2255638234 MBGJYHXQHCRJLH-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2255822000 ITLDAELPMFFHAU-GOSISDBHSA-N 430.232 2.170 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266991189 CNFPLKLEYHVYGH-IQMFZBJNSA-N 443.353 2.368 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267012602 WZRXPKIWQKUTBT-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267127328 IHJOYXURNBBNFS-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267145916 JSKJSTCCFZAGCM-JKSUJKDBSA-N 446.357 2.323 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)n1 2267148698 CHKUZVLVZMTJFC-JKSUJKDBSA-N 446.357 2.036 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 2267229720 CQRICMAQGRRSNJ-ROUUACIJSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@@](C)(O)[C@@H](N)C#Cc1ccc(Br)cc1 2278796066 CNXYTNHZQUYQNG-QFBILLFUSA-N 427.339 2.420 30 10 IEEE CC[C@H](C)N1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 2296945925 WFYVVJNOLZYVIW-ZDUSSCGKSA-N 445.614 2.317 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2302570825 DBDRIQARQVEEKQ-FJIDUMEYSA-N 437.585 2.452 30 10 IEEE CC(C=Cc1ccccc1)=NN=c1[nH]nc(SCC(=O)Nc2nc(C)cs2)n1N 2313707886 QCWDGRHFCMGQPN-UHFFFAOYSA-N 428.547 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)C#Cc1cccc(Br)c1 2313884486 IZABQIDFKDNXPL-CQSZACIVSA-N 430.320 2.308 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc[nH]1 2327826663 PGIKXAQWCIRXOZ-CQSZACIVSA-N 431.566 2.221 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337290279 SACJSRJIRFYIJB-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE COc1nc(NC2(CCO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339785912 DLCLBMCFDALBNV-UHFFFAOYSA-N 449.357 2.173 30 10 IEEE CC(C)(C#CC(=O)[C@H](O)c1cc(Br)c(Br)o1)S(C)(=O)=O 2365171267 GZZYTHBFYQZHQN-JTQLQIEISA-N 428.098 2.234 30 10 IEEE CC1(NC(=O)OCc2ccccc2)CCC(O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365213713 YCAVFFPSAFLGNB-XTWGIRIWSA-N 436.574 2.131 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 10227202 BKXKYYLSYBJLST-UHFFFAOYSA-N 439.472 2.234 30 10 IEEE NC(=O)c1ccc(C#CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 96347943 UGMBSTCWAJEVEJ-INIZCTEOSA-N 440.297 2.069 30 10 IEEE COc1ccc(C=Nc2ccccc2N=C(C#N)c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 254824412 UXUSDIMBRIERSJ-UHFFFAOYSA-N 441.451 2.364 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 409516874 JDINLBAUENRPNA-CYBMUJFWSA-N 426.589 2.447 30 10 IEEE CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)s1 427924820 LBIKRUUVPQLNGI-UHFFFAOYSA-N 427.534 2.071 30 10 IEEE CC(C)Oc1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1C(N)=O 433691973 XVOLVXKMWUCHEV-LJQANCHMSA-N 435.484 2.367 30 10 IEEE COc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)sc1S(N)(=O)=O 447095742 DZTBXBNXTIJIRA-JTQLQIEISA-N 430.305 2.161 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cn1 462091931 NMWBIADPTPAMAM-UHFFFAOYSA-N 427.472 2.136 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)cn1 462099742 DAEFHUIWMZLXAK-UHFFFAOYSA-N 437.485 2.001 30 10 IEEE CCn1nccc1CN(CCO)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 477422646 WJBFEHCFSNNEGB-UHFFFAOYSA-N 438.488 2.260 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)ccc1F 488964880 BANLXLPBUCVVBH-UHFFFAOYSA-N 443.909 2.046 30 10 IEEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCN1CCN(C(=O)C2CCC2)CC1 497506549 KMNDKCLLJVJUOX-UHFFFAOYSA-N 436.478 2.300 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 498377034 TWGKWUOVXUGFRJ-OAHLLOKOSA-N 440.375 2.202 30 10 IEEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)ccc21 499409616 VNAYKUFQIVMGHN-OAHLLOKOSA-N 427.258 2.467 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccnn2C)c1=O 502036003 DWOGCHXBUGJZAD-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE C[C@H]1Oc2ccccc2N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 522866453 FZRGHNNEXNMPOX-KDOFPFPSSA-N 436.493 2.212 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 532880487 YGPHVYGMTWEYGD-UHFFFAOYSA-N 445.610 2.087 30 10 IEEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 549644800 WKUSYEDMYVROQT-NRFANRHFSA-N 439.608 2.456 30 10 IEEE C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 603746139 QODURJHJDRPRGS-KRWDZBQOSA-N 441.557 2.184 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CC1 604172223 ZABMEYFERDZGPU-UHFFFAOYSA-N 447.583 2.379 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732650541 WFMRSEUWKRKHFW-HKUYNNGSSA-N 430.574 2.371 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732651181 YTFWKTOQKPNMNJ-HXUWFJFHSA-N 430.574 2.452 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1Cl 751212269 ANIHQTSGFFRMSB-UHFFFAOYSA-N 425.919 2.247 30 10 IEEE Cc1cccc(CN(Cc2cccc(C)n2)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 751794088 PRZULAPEZZLEQV-QURGRASLSA-N 434.500 2.332 30 10 IEEE N#Cc1ccc(C(=O)NS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)cn1 767570979 WVBSLRISJXOHJX-UHFFFAOYSA-N 449.286 2.109 30 10 IEEE N#CC1(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CCC1 768090899 IVJGPDINRQVWEV-UHFFFAOYSA-N 443.319 2.321 30 10 IEEE C[C@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C(=O)NCC(F)(F)F 768665761 PRYKHNOOUJYUSC-YFKPBYRVSA-N 445.238 2.137 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC)C3)ccc2c1=O 775376256 ZOAYBMAZQHGYNX-DZGCQCFKSA-N 430.530 2.468 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nc4c(cc3C#N)CCCC4)C2=O)cc1 775605862 NKXOXDUWSBVGGG-HSZRJFAPSA-N 433.468 2.246 30 10 IEEE Cc1ccccc1[C@@H](CC(=O)O)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776675502 PCQPJHMGNHJCKU-QGZVFWFLSA-N 429.498 2.146 30 10 IEEE CSc1nc(O)c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1C#N 777849524 WILJPLZLSCFYJT-KQWNVCNZSA-N 445.526 2.446 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 778761360 QPHSZVGKNGATQY-KBXCAEBGSA-N 445.472 2.103 30 10 IEEE Cc1cc(=O)c(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)nn1-c1cccc(Cl)c1 779314239 BDCVJLMUXHECOE-UHFFFAOYSA-N 434.905 2.338 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)c3ncccc3c2)c1=O 783941895 FQPCEGSCGKYSCK-UHFFFAOYSA-N 433.533 2.285 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 790841314 MSHULRGIXWGVFL-UHFFFAOYSA-N 428.532 2.476 30 10 IEEE C[C@@H]1COCC[C@H]1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 795183173 NGQBURMXJZGKMT-HLLBOEOZSA-N 438.619 2.420 30 10 IEEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 796254454 IAFBQQDFTQFPJM-UHFFFAOYSA-N 444.495 2.237 30 10 IEEE N#Cc1ccc(C2(C(=O)OCc3ccccc3S(=O)(=O)N3CCOCC3)CC2)cc1 797548159 AWGZRBBVGLUWFF-UHFFFAOYSA-N 426.494 2.354 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F 810575040 OVZHGTSAHWKDPY-LLVKDONJSA-N 441.815 2.472 30 10 IEEE CCN(CCC#N)S(=O)(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813744704 AGSDBQBXJSXIJG-VQTJNVASSA-N 434.562 2.494 30 10 IEEE N#CCCN(C(=O)CCC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)c1ccccc1 856610291 XADDEODKTZIBEP-LEWJYISDSA-N 433.512 2.090 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2c(O)nc3ccccc32)cc1 918608742 MYCGNXNLSMZQIN-NKFKGCMQSA-N 427.486 2.193 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cn3cccc(C(=O)OC)c3=O)c2)c1 1124735858 PHUCFMFEUXHXHM-UHFFFAOYSA-N 444.443 2.460 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1128456697 NRFYXQHHMCLBCT-HKUYNNGSSA-N 444.532 2.370 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cccc(C(F)(F)F)n3)C2=O)cc1 1129010435 SILFFHUYFVWBAB-OAHLLOKOSA-N 431.374 2.493 30 10 IEEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1129762877 FTNVXIVOKHQQBU-VKJFTORMSA-N 427.892 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 1141628349 SGRKVCLTJXTJNO-QHCPKHFHSA-N 440.500 2.330 30 10 IEEE CC(C)c1[nH]nc(C(N)=O)c1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1142134756 YLTBPSUFNORCAE-UHFFFAOYSA-N 431.294 2.341 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)NCCCC)CC[C@H]2C)s1 1142357750 VZTJOSYUXJYGFS-CVEARBPZSA-N 441.619 2.298 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)n(C)c2)C1 1146220721 JOETWWBVWQGCFW-KKSFZXQISA-N 444.557 2.123 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC(c3ncc(Br)cn3)C2)c1 1152643337 DCNLVXYHYCGLKX-UHFFFAOYSA-N 434.315 2.276 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)s1 1153636918 IIJHQUQBZYIFAA-OAHLLOKOSA-N 428.576 2.335 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cnn4cccc(Br)c34)C2=O)cc1 1156591114 AFGWVIKQZGOACO-QGZVFWFLSA-N 438.285 2.499 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 1162474541 BWBQKJGVSNGIRN-DJJJIMSYSA-N 442.497 2.390 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)c2ccccc2Br)CC1 1171178855 HJRRTGGUIHNCFD-OALUTQOASA-N 437.382 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286301899 PXJBJRZIMNUMIW-NFFVOIMASA-N 434.500 2.150 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286314072 JMXWVEQFUATNDP-GOSISDBHSA-N 447.609 2.113 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1286416485 ONJRKLNKTDPCHF-IBGZPJMESA-N 448.502 2.470 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1286606571 URPFFGZFQKWTCS-XXBNENTESA-N 425.533 2.228 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286710368 VLQAFHGSVZSCJU-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286790846 YFLIDFLGEFNUEG-SFHVURJKSA-N 443.621 2.248 30 10 IEEE COCCNC(=O)CSc1ccccc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1287698289 YBKZWWFZPUTWMV-UHFFFAOYSA-N 438.553 2.375 30 10 IEEE Cc1ccc(N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1289713067 CUFGKHMUISOGTD-XUTLUUPISA-N 430.472 2.338 30 10 IEEE N#C[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)c1ccc(Br)cc1 1290673890 AEYIYHBFLHHTLK-IRXDYDNUSA-N 432.274 2.417 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1293849210 ABIFGYQNLBWEFR-QMHKHESXSA-N 437.548 2.071 30 10 IEEE N#Cc1cn(CC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(=O)nc1O 1297779986 CCGGOVKRSAVMBH-QGZVFWFLSA-N 436.390 2.123 30 10 IEEE CN1C(=O)N[C@H](C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CC2)C1=O 1298796413 HXEOCIBRJFQLRD-OAHLLOKOSA-N 447.421 2.146 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 1299973470 RNOACCIRXKDPDI-GOSISDBHSA-N 447.557 2.478 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1300302535 BBMMFJAZKNZNPT-QGZVFWFLSA-N 447.543 2.053 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCS(=O)(=O)CC2CC2)c1 1300332504 IGUNKDPFYXRNHB-UHFFFAOYSA-N 441.557 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C12CCCC2 1300339811 GPRUQCKHWHWNJN-RUNIHZNKSA-N 432.521 2.341 30 10 IEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300488421 DTYPEMUECBSYDW-SJLPKXTDSA-N 439.541 2.155 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2c[nH]nc2C)CC1 1300709675 ATMQIQLMGOALRE-UHFFFAOYSA-N 437.523 2.416 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300985668 UDLGUHVHFMANJR-KSFYIVLOSA-N 440.504 2.042 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301124721 KNNGKNWNPUZKFC-RWNPKEDZSA-N 426.521 2.101 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1301150649 ZENZTXLNUGKVJB-INIZCTEOSA-N 449.559 2.496 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1OC 1301379589 PBGIPBSNCASQDN-AZUAARDMSA-N 436.520 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)C(C)(C)C1 1301595825 BQBKLWDEZYQZQY-SQNIBIBYSA-N 440.610 2.475 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1301600605 FRRGIKXJEGDUFQ-UHFFFAOYSA-N 446.533 2.068 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)C(=O)OCC 1302419524 NBKCEGPKQBUSPD-AWEZNQCLSA-N 434.880 2.199 30 10 IEEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCOCC2)CC1 1303001141 NTWFJRBOXWVKHQ-UHFFFAOYSA-N 444.486 2.169 30 10 IEEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)c1 1303899693 KNBLIPBFZAURQY-QZTJIDSGSA-N 449.511 2.426 30 10 IEEE Cc1cccc(CN(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1304205233 NSUUEYMVGGZXRP-LSDHQDQOSA-N 444.499 2.206 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)[C@@H]1C 1305098318 DQNCMCNIEWNZST-DLBZAZTESA-N 447.561 2.025 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 1312353709 KVNQSIMCFZWGFY-QAQDUYKDSA-N 425.507 2.011 30 10 IEEE CCN(c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1313613046 DZPFYOREHZPBAL-HNENSFHCSA-N 429.550 2.395 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C[C@@H]1C 1316127780 AMUWUIYROQHAHR-SFHVURJKSA-N 446.559 2.315 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)cc1OC 1335739248 JUEIIEZOBXSYQQ-VQIMIIECSA-N 438.532 2.175 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1358975920 JJBPQYTTWVIXLW-UHFFFAOYSA-N 435.532 2.319 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cnnn2C)CC1 1359032479 PSSJKKPQEDXGSH-UHFFFAOYSA-N 431.331 2.184 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1359059341 KBCNQOZYYQCWEK-QGZVFWFLSA-N 427.574 2.105 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOCC 1359079249 CYNDBYHRPSPLKM-UHFFFAOYSA-N 433.314 2.302 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359165349 MWIRNRXFJBDVPL-LAUBAEHRSA-N 434.562 2.454 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359215933 MHIHYQKOWYXCGM-MRXNPFEDSA-N 439.582 2.204 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1359278135 JIDDTFMTAXKXPO-UHFFFAOYSA-N 448.568 2.020 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C(C)C)C1 1359324520 MJFCQUDFQQNKTE-IIBYNOLFSA-N 433.578 2.458 30 10 IEEE C=CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346257 GOYUDEMHWGVYQH-RZQQEMMASA-N 438.550 2.352 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)Cc3csc(S[C@@H](C)C(N)=O)n3)c2C#N)C1 1437997877 ALCNCLDKSRVJRR-VIFPVBQESA-N 449.583 2.128 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Br)s1 1468477705 HVMFYQLVSHFHGY-NSHDSACASA-N 435.365 2.315 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)c1ccccc1 1470662672 JPNJIHMSQTZGFT-OALUTQOASA-N 428.533 2.423 30 10 IEEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1471331067 BJDHDLOPETVYDV-HNNXBMFYSA-N 434.212 2.369 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1478832761 FURYHLKGLACAOV-WMZOPIPTSA-N 428.537 2.478 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN(C)C 1503244398 FWNRWFVPHCTSEM-UHFFFAOYSA-N 432.594 2.275 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507598822 IWATUGHAPLZXKV-QHCPKHFHSA-N 431.581 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1507667465 MWUWGNYMDPICQR-UHFFFAOYSA-N 438.557 2.217 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccccc2OC)CCC1 1507712726 NGIVKOSBLGWQBZ-IBGZPJMESA-N 437.544 2.446 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncccc2N(C)C)CC1 1507727052 NEALUHOJXJMRHX-UHFFFAOYSA-N 445.571 2.164 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1507883567 CJJGQHBIUVHJLH-KRWDZBQOSA-N 441.623 2.055 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N(C)C 1508410861 GQEYWIYXBHHVFI-QGZVFWFLSA-N 430.578 2.235 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCCCC1 1510192193 PFXHAABHQYZPAA-BEFAXECRSA-N 442.561 2.070 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1515971392 DVWOVRHKLJNBDA-IRXDYDNUSA-N 432.569 2.294 30 10 IEEE COCCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1519347182 LQKNYLBFLDPPDN-FQEVSTJZSA-N 434.500 2.066 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(c3cccc(C#N)c3)CCOCC1)C2=O 1533082317 AMIFTYKPETZMON-IAGOWNOFSA-N 438.528 2.427 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539059930 VXZUAEYEMOALOQ-UHFFFAOYSA-N 431.562 2.275 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCOc1ccc(S(C)(=O)=O)cc1 1539245479 AKPLXASYPKOGIV-UHFFFAOYSA-N 438.509 2.402 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C(C)(C)C 1539416419 NVABHGKJBYRAMP-LJQANCHMSA-N 441.532 2.039 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(N(C)C)CCCC1 1539421395 QUALPAFTEWKMQF-UHFFFAOYSA-N 435.576 2.477 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](OC)C(C)C)CC1 1539436665 YQWVLDMOFJNEGW-NRFANRHFSA-N 427.549 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nccs2)CC1 1539481239 JBCJXKQYKNCOGG-QGZVFWFLSA-N 428.562 2.185 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCNS(=O)(=O)CC 1539558161 BUYFCRBXBAVXKW-OAQYLSRUSA-N 433.553 2.330 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1539567467 XDNVHVCGHZFQRP-JOCHJYFZSA-N 443.935 2.361 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1540133922 PKTWNHFTXAIPAC-SFHVURJKSA-N 441.561 2.042 30 10 IEEE COc1cc(/C=C2\SC(=O)N(CCNC(=O)C#CC3CC3)C2=O)cc(OC)c1OC 1540611057 BDMGRPCOMKFCOF-ATVHPVEESA-N 430.482 2.278 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)C1 1540891980 CNAHSACQSWNEEB-GVDBMIGSSA-N 426.608 2.247 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540917299 RPTMTSGOQDUCFV-KRWDZBQOSA-N 434.610 2.428 30 10 IEEE CC(C)COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1541584730 KZKSJKMNJPDYOY-MRXNPFEDSA-N 426.587 2.081 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCSC2)CCOC1 1541728938 QNPOOVVEHGTPOS-PWRODBHTSA-N 435.594 2.317 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)C1)S(C)(=O)=O 1547573097 FBWGTHYWIYJMKB-MRXNPFEDSA-N 448.618 2.430 30 10 IEEE Cn1ccc(Nc2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1554344158 DZYCMZHMAFKCFK-QZQOTICOSA-N 432.488 2.067 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1555626937 VEWXJGLJVVQNLP-AZUAARDMSA-N 434.585 2.099 30 10 IEEE CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCCCCC1 1557299760 BIGWNTFRULQCCU-IBGZPJMESA-N 435.546 2.429 30 10 IEEE CCOC(=O)Cn1nc(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1585134589 FAPCAWFJXHFJEX-AWEZNQCLSA-N 429.864 2.271 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1587888305 COLADEAFWKTVPX-LJQANCHMSA-N 436.516 2.381 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588060112 ZSTRFRKFCZPCHG-OFNKIYASSA-N 444.601 2.401 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1588913792 QPXLCLYVIHNFGZ-FQEVSTJZSA-N 449.603 2.426 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1589216110 JWJNKBNTSHZOTB-CNNODRBYSA-N 433.622 2.293 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCC)CC1 1589528671 HVNKAYJXLYWAGH-AZUAARDMSA-N 439.564 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC(C)(C)[C@@H]1C 1595506826 NRCACDOKPVUASY-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595555513 AUOPSLQLOYIUFT-IBGZPJMESA-N 439.560 2.311 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N2CCOCC2)C1 1595743866 HDKQZVHPGSKXIF-NQIIRXRSSA-N 445.539 2.498 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3ccc(C)cn3)nnc12 1611429367 KXFYCQBZTRAMSN-UHFFFAOYSA-N 434.525 2.385 30 10 IEEE CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1611540998 AOLNDOQZRMRFOD-VXPUYCOJSA-N 444.488 2.445 30 10 IEEE C=CCN(C(=O)c1cccc(CS(N)(=O)=O)c1)[C@H](Cc1ccccc1)C(=O)OCC 1616305970 RWXCFLDLAZJXIQ-HXUWFJFHSA-N 430.526 2.278 30 10 IEEE CO[C@@H]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619483220 FOXMBXDXEUXXMB-PKOBYXMFSA-N 426.569 2.457 30 10 IEEE COC[C@H](F)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619624906 BOAZSQOZIQQEJJ-IEBWSBKVSA-N 428.512 2.327 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620347785 COXZWWSVCFEAEN-AINLKENTSA-N 449.490 2.032 30 10 IEEE COC(=O)c1cc(Br)c2c(c1)CN(CC(=O)N(CCC#N)CCC#N)CCO2 1620682975 VPUMQZHYLHPKDU-UHFFFAOYSA-N 449.305 2.086 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1623376932 GSDPAASZIUBXCD-QGZVFWFLSA-N 446.389 2.043 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NCC3CCN(CC#N)CC3)ccn2)CC1 1629081809 FDWMKZIXAMBTIT-UHFFFAOYSA-N 442.564 2.104 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)CC1 1634632771 FGZPPOOVPMPJNU-FQEVSTJZSA-N 434.606 2.476 30 10 IEEE C=CCNC(=O)CNC(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1638879663 CMHDZTZIDGBJLC-SBUREZEXSA-N 444.532 2.491 30 10 IEEE CCC[C@H](C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(N)(=O)=O 1639782807 MQAWBAHSHGWTJW-GJMOJQLCSA-N 432.333 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(Cc4cncc(C#N)c4)CC[C@@H]32)CC1 1646178343 NOVIUOZKKBVFHJ-UXHICEINSA-N 440.548 2.321 30 10 IEEE C[C@H]1CN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1649562454 HQVVCAAELAICCY-ZIFCJYIRSA-N 430.578 2.158 30 10 IEEE CCOC(=O)c1nc(N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1Br 1650870090 DVNJBZXUQWCKTH-LBPRGKRZSA-N 431.294 2.398 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 1656638530 YEDGXPDFRMKNCN-MSOLQXFVSA-N 442.459 2.415 30 10 IEEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nnc2c(=O)[nH]ccn12 1666756692 DEZZCIYGKDSYEU-UHFFFAOYSA-N 429.440 2.498 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)CC1 1670058504 GBUZUTQQRLGUDC-UHFFFAOYSA-N 434.468 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CCO2)C1 1675450500 NOXJMMBYACQREA-CVDCTZTESA-N 426.517 2.447 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1675970037 ACJVJKVUWRICHP-SJORKVTESA-N 429.583 2.408 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c3ccc(F)cc3)CC1)C2 1687386875 VGUBCFPBCXFGHB-FQEVSTJZSA-N 442.516 2.271 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1689888240 DSVWSWYHQFHCRW-HXUWFJFHSA-N 430.597 2.314 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 1689930810 ZRNAICWHJGQMBS-GOSISDBHSA-N 435.550 2.032 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1689989325 DGSHMMAKSGSBHV-QUCCMNQESA-N 444.557 2.095 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1690013073 ALKVAZIVRPOYPC-GOSISDBHSA-N 431.544 2.259 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1690077619 SIHFZTCZXNHINJ-NSHDSACASA-N 430.427 2.244 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1C 1690096711 YZMDWZLWIQBHMM-MJGOQNOKSA-N 446.573 2.107 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCOC2)CC1 1690110563 QUCVGJYEDBXKQH-FQEVSTJZSA-N 436.560 2.329 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690169745 MXINNIPSFWBOTA-MRXNPFEDSA-N 427.559 2.444 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690185621 BIYXWZVAQMFPHH-UGKGYDQZSA-N 433.622 2.361 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N(C)CC(=O)NC(C)(C)C 1690219849 MKGSTIRXIJRAOK-CYBMUJFWSA-N 432.363 2.262 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1690244211 UYOPZFZYTFJEKD-SBHAEUEKSA-N 441.580 2.263 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1690515240 IHXAURNZQFEQOG-SJORKVTESA-N 448.593 2.046 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCc2cccc(C(N)=O)c2)CCOC1 1692585785 MLHWQFNKFSMQCX-HXOBKFHXSA-N 440.548 2.399 30 10 IEEE CCOc1ncccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1696177577 BZCVLHXYCNWVTJ-FIKGOQFSSA-N 430.484 2.286 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1698130005 PVCMTQRJQUUQQZ-PMACEKPBSA-N 448.612 2.489 30 10 IEEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1698184116 UGWTZBBOHWWVAP-XXBNENTESA-N 438.532 2.433 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CCN1S(C)(=O)=O 1698453931 XGWXLQPOSSYXST-INIZCTEOSA-N 446.577 2.102 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705474682 FDGGIIDDRPXDAJ-RTWAWAEBSA-N 449.603 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1705495812 VVZKUZSDIYSXFD-LVCYWYKZSA-N 425.533 2.217 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1705632458 QVJVASOJKIANEV-QFIPXVFZSA-N 436.604 2.232 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC)CC1 1705661191 VCIKBGNNAMNTAI-UHFFFAOYSA-N 435.500 2.402 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1705668578 PJYDYXLMXXLPRM-DYESRHJHSA-N 430.578 2.217 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1705674539 LGOMJXWIVJHZTM-XMSQKQJNSA-N 441.557 2.179 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1705697267 KSLIRPNPSRPNOF-SQNIBIBYSA-N 449.552 2.062 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccn2)CC1 1705831137 HUTHEYNNNIQDJC-UHFFFAOYSA-N 440.577 2.343 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)COCCO2)C1 1705929558 SSVLHVTYACQIBG-JPYJTQIMSA-N 444.532 2.453 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCSC2(CCOCC2)C1 1705947919 CBRMGOSCIBATKX-UHFFFAOYSA-N 437.635 2.422 30 10 IEEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCSCCCO)o1 1707360479 UDLLBXZZGFYSMV-UHFFFAOYSA-N 440.529 2.497 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1709900768 IYPNBJWNVLBXBU-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1)CC(F)(F)F 1711195452 OCLZYTQOBHBSBU-CALCHBBNSA-N 436.438 2.262 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCc1ccco1 1712524539 FNPAZOXLKXKWDN-INIZCTEOSA-N 430.509 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC(O)CC1 1722286634 JJIBEIXOSMHSIC-KRWDZBQOSA-N 427.549 2.267 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1722330069 IROJRIIUFMRJPL-MRXNPFEDSA-N 446.349 2.462 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccc(F)cc2c1C 1722373202 KKGMIAYENRJWEB-HNNXBMFYSA-N 443.504 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1Cl 1722419349 XZFRRIWTVSSMDG-UHFFFAOYSA-N 431.924 2.333 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ncccc1N(C)C 1722425928 QVRKOGQCOLYXFC-UHFFFAOYSA-N 444.543 2.112 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1N1CCOCC1 1722427980 AKKIFXHQIHVCSE-OAQYLSRUSA-N 439.560 2.143 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1722537834 RODMUTPFYBLLEO-LPHOPBHVSA-N 427.505 2.098 30 10 IEEE C=C(Cl)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558193 HEHJJFZTIPDUPF-GOSISDBHSA-N 432.974 2.085 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1722661323 ASHQXAYEKRTXLO-HNNXBMFYSA-N 449.606 2.233 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC(C)C)CC1 1730480752 MOMMGGONKQRSRD-FQEVSTJZSA-N 430.528 2.348 30 10 IEEE COCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CCOCC1 1730514875 AIPRAOJRFXCFQV-LJQANCHMSA-N 438.532 2.180 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(SC)CCN(C)CC1 1730837794 AGRQOIKPFUQTHL-LPHOPBHVSA-N 440.589 2.271 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C(CC)CC)no2)CC1 1740698521 HQGIUNGLZVOINO-UHFFFAOYSA-N 439.564 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1740708628 WSNABJAFHWSCAU-XMMPIXPASA-N 439.560 2.314 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1740765585 ALEWYJVSYRQSDX-PZJWPPBQSA-N 444.624 2.301 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1740964933 XOVUCQKILOFOFW-IBGZPJMESA-N 426.565 2.218 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740969692 VJEATLJYDAAWIV-PKOBYXMFSA-N 425.533 2.452 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1741131167 DMGLBPPYUNKZJQ-XLIONFOSSA-N 426.521 2.109 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1741230412 VZHDYWHUPWAGNJ-AWEZNQCLSA-N 433.900 2.247 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1743406137 JCGNDTDUCOJCFU-VQTJNVASSA-N 438.532 2.117 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1748641410 GQQBIIUOSQCKJW-CABCVRRESA-N 425.468 2.168 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1748688004 WKBVBOABRSQBCG-HNNXBMFYSA-N 439.545 2.190 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1748766406 PCAKQPHGQMBNRH-ZIAGYGMSSA-N 425.942 2.079 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748812576 XBOVDBGYFHVJGB-KSZLIROESA-N 431.562 2.105 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748821550 RHXWVMUADLLXKA-IHPCNDPISA-N 442.585 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCO[C@H](C)C1 1748831386 NDLMSKAWEKHECH-LJQANCHMSA-N 436.516 2.427 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1748847340 SGHYENLMCOXFLR-FPOVZHCZSA-N 433.512 2.021 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1749033505 HHQNPBVYFDBATN-SFHVURJKSA-N 444.630 2.022 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749128784 ZRCUZMXFGHWPJR-PKOBYXMFSA-N 437.610 2.387 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1749574071 XTCVYIHDJXJEHV-UHFFFAOYSA-N 445.531 2.132 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1749663571 JSSONNLWZVXFCD-GOSISDBHSA-N 434.500 2.309 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1749668679 CHTXNYAAZQKMSD-OAHLLOKOSA-N 447.486 2.410 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749754686 QAIOQPDZUJDHGH-YLJYHZDGSA-N 432.638 2.454 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCN(C)C 1750645204 LBECHESEJAITGE-UHFFFAOYSA-N 429.544 2.317 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760182695 LFYBFLGTFZGYPZ-SJORKVTESA-N 433.578 2.098 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccccc2)CC1 1760261297 KBDBAKZHOLOCRC-CTNGQTDRSA-N 441.601 2.129 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C)[C@H](C)CC)CC1 1760264370 KMUZQMLZRIGFLL-LJQANCHMSA-N 428.556 2.482 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760373937 FMMKXYHFDZXGPR-OLZOCXBDSA-N 441.907 2.006 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1N1CCOCC1 1760504057 UPAVKOYVXAAISC-FQEVSTJZSA-N 442.564 2.438 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(OC)CCOC1 1760505524 WMSOZPFHLPMPHB-SIKLNZKXSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760516020 VGQNUYTVCMKRIV-ZIAGYGMSSA-N 439.969 2.159 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1760522569 WURAHJMJXIGGHD-LPHOPBHVSA-N 441.532 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)C1 1760551803 SDUNPYMMDPZBKK-OAQYLSRUSA-N 429.546 2.423 30 10 IEEE CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1761260265 RTQVZZLFIDXADR-PMACEKPBSA-N 449.559 2.085 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCS1 1763179388 VBHVHGQFJQCEKM-IIBYNOLFSA-N 429.546 2.476 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1(C)C 1769084543 DKWUBBHWIMRCDW-HNNXBMFYSA-N 436.438 2.356 30 10 IEEE CN1CCN(CCO[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)CC1 1852230745 KFGPKWPXYZWRRL-QFIPXVFZSA-N 443.569 2.044 30 10 IEEE O=C(c1cnc(O[C@@H]2CCOC2)c(Cl)c1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852781532 DCIZPDMCKCMLIF-SNVBAGLBSA-N 441.815 2.387 30 10 IEEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)c(F)c1 1852912483 JLFFGBIPALEXKK-UHFFFAOYSA-N 449.490 2.269 30 10 IEEE Cn1nncc1CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)c1ccc(C#N)cc1 1853417911 QXWYNSBETSEHRG-OAHLLOKOSA-N 444.421 2.246 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)C[C@@H]3CCCO3)c3ccccc32)cc1 1854479881 OBBWAPWYTRIDPX-INIZCTEOSA-N 425.466 2.196 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C(=O)CCN(CCC#N)c3ccccc32)cc1 1856973023 FQDCAYZDFVJFMP-UHFFFAOYSA-N 426.498 2.234 30 10 IEEE N#CC1CCN([C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1857305252 DPADDAHPRNKFMP-GOSISDBHSA-N 437.949 2.257 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 1861248573 JWKXQQPOWJISLN-JOCHJYFZSA-N 431.492 2.246 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1864984201 AVMONCWBVGDJFM-SFHVURJKSA-N 432.440 2.481 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1C[C@@H]1CCCO1 1870537751 NVSHLSXXYMQTGM-NRFANRHFSA-N 441.528 2.490 30 10 IEEE C=CCN=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=Nc2ccccc2)[nH]1 1871598579 ATAWAVQKVYACCG-UHFFFAOYSA-N 445.527 2.108 30 10 IEEE COc1cc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc(C#N)c3)C2=O)cc(OC)c1OC 1873866324 CEAVRIDCTQLLQQ-INIZCTEOSA-N 438.440 2.428 30 10 IEEE CCN[C@@](C#N)(CC)Cn1cnc(I)c1I 1995368088 XOIZEOGVBUEZAJ-SNVBAGLBSA-N 444.058 2.374 30 10 IEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)CN2CC(NC(=O)OC(C)(C)C)C2)CC1 2082029600 AOHFIDPDBYDVAK-UHFFFAOYSA-N 435.374 2.376 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247833071 AGVDGLPFAMOVAI-OLZOCXBDSA-N 437.371 2.333 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2247922835 OCIGGIQUBVHWTH-KGLIPLIRSA-N 435.355 2.276 30 10 IEEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267124626 NFSCXSHYXMKPRR-LJQANCHMSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164054 MOBCFNADFKPZKE-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267178732 GPMMKDZOVIUSHN-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267483002 MDLPQIOHMKFFPJ-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2267595033 UWQWKUOIIPMVAZ-UHFFFAOYSA-N 443.353 2.464 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269072657 AKZGMRSDHDTTGD-HXUWFJFHSA-N 438.333 2.301 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](O)C#Cc1ccc(Br)cc1 2313858613 ILHZBMQAJHJACK-GJZGRUSLSA-N 432.336 2.099 30 10 IEEE COc1cc(C=NN(CC(=O)O)CC(=O)O)cc([N+](=O)[O-])c1OCc1ccccc1C 2322991757 DSZCRSPCIHUQMJ-UHFFFAOYSA-N 431.401 2.296 30 10 IEEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 20807009 FUXCJMGUKSGSKY-KEBDBYFISA-N 426.462 2.385 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSc2ccc(Br)cc2C)CC1 105264330 AFCVEBRXEGOZBY-UHFFFAOYSA-N 426.380 2.296 30 10 IEEE CC[C@H](NC(=O)c1cc(I)ccc1Br)/C(N)=N/O 234022054 MKMBBOIWFHJQBX-VIFPVBQESA-N 426.052 2.309 30 10 IEEE C[C@H](CNC(=O)c1cc(I)ccc1Br)/C(N)=N/O 235448551 BLVOHCHRFOPBBT-ZCFIWIBFSA-N 426.052 2.166 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)c(OC)c1OC 435443221 PHFNFNZJZFWVAU-UHFFFAOYSA-N 437.543 2.152 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](CC)Oc2ccccc2C(F)(F)F)CC1 440338416 ISCDAGLEUZJXLO-INIZCTEOSA-N 442.482 2.492 30 10 IEEE COCc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(C(C)(C)C)n1 443668735 LSCDMYWVMYWEKT-UHFFFAOYSA-N 429.546 2.303 30 10 IEEE CC(=O)Nc1cc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1F 446194494 BRLVJDDSLNNXPJ-UHFFFAOYSA-N 439.447 2.496 30 10 IEEE CC(C)(C)OCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 471367059 RGAHLRYMBRNMHF-UHFFFAOYSA-N 432.502 2.008 30 10 IEEE CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 478849098 BREBIFUSCZCRLC-UHFFFAOYSA-N 429.498 2.355 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 481465722 OUBCVZJPYXQREI-NQIIRXRSSA-N 440.569 2.396 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1 486007489 SUEUZNHNFBXSPQ-NSHDSACASA-N 440.474 2.407 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)C2=O)cc1 489276211 HILAWBCTKBTOLU-RHSMWYFYSA-N 431.418 2.322 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 506357038 PQAPVJBHIZJURO-XMMPIXPASA-N 442.560 2.493 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1[C@H](C)c1ccccc1 518719997 CKYXDAMLPCURDT-QGZVFWFLSA-N 447.560 2.394 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 532622691 CVAVOKXWBJBALG-WBVHZDCISA-N 435.546 2.195 30 10 IEEE C[C@@H](C#N)CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 532820713 KVUGJICTJBIBQW-HNNXBMFYSA-N 433.530 2.009 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 535890503 BXRNKYZXFWTPOC-DYVFJYSZSA-N 432.492 2.485 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542730389 WGXBXFVPFQKSFR-UHFFFAOYSA-N 441.509 2.035 30 10 IEEE CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544888129 HBDWAIGGYCYJTG-UHFFFAOYSA-N 428.518 2.459 30 10 IEEE Cc1ccc(CNC(=O)c2nnc(CN3CCN(c4cccc(C#N)n4)CC3)s2)cc1 546212635 APPWAZUVYQKRDG-UHFFFAOYSA-N 433.541 2.365 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ncc(Br)cn2)c1 552386892 LBSUXSZAKLLFHH-LLVKDONJSA-N 425.308 2.194 30 10 IEEE COC(=O)[C@H](CC(C)C)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 557100998 HBOYFYUSIBNYSL-IBGZPJMESA-N 435.546 2.005 30 10 IEEE Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cccc(Br)c1C#N 561538458 MUXCUNWLBPFBSH-HNNXBMFYSA-N 439.335 2.433 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H]4CCCC[C@H]43)nnc12 613786630 FCGWLVSZPFKKGC-MSOLQXFVSA-N 439.541 2.492 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 742277227 URNSALCPTYXIST-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE CCc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[nH]c(C)c1C(N)=O 747806269 AEDBLFILGXOCQN-LFVJCYFKSA-N 431.518 2.050 30 10 IEEE Cc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 755007265 DDGASNIJUSOLAY-VOTSOKGWSA-N 447.451 2.415 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccn(-c2ccc(F)cc2)n1 767628349 QUWHDTKWUQVXNT-AWEZNQCLSA-N 428.445 2.293 30 10 IEEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(C4CC4)c3=O)n2)c1 781136797 OIGVYTPUWFDGAX-UHFFFAOYSA-N 445.548 2.315 30 10 IEEE C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 781991856 ICMQMVAMPRXYEQ-FQEVSTJZSA-N 441.509 2.070 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2CCN(CC#N)CC2)[C@@H]2CCCO[C@H]2C1(C)C 783651109 OLZAUFZESDKRGZ-PNCHPQGNSA-N 434.581 2.437 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)n1 788819803 LTEOGTNXSXXBIS-QGZVFWFLSA-N 438.557 2.413 30 10 IEEE C=CC[C@@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790611971 JLNLPADLFGBHFW-QHCPKHFHSA-N 436.597 2.391 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 800787834 OPXYJPGBRHRQFR-UHFFFAOYSA-N 426.521 2.338 30 10 IEEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cc(F)ccc1N1CCC(O)CC1 804162838 UVVFTAKPHGJGND-AWEZNQCLSA-N 442.466 2.291 30 10 IEEE C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CCO2 807247877 GMDLISBJELXXRT-IVZQSRNASA-N 425.510 2.309 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)c1ccc(F)cc1 813982196 FCOSYZOUZVZWEX-KRWDZBQOSA-N 448.476 2.206 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)Nc2ccccc2)n[nH]1 1084012350 WDVKXPFRTNQOHI-UHFFFAOYSA-N 428.522 2.177 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)s3)CC2=O)cc1 1117519363 DCUVKOYNHGPUTE-LLVKDONJSA-N 443.428 2.497 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1(C)C 1136149284 DXPBIVBZRSZQGZ-QFIPXVFZSA-N 447.557 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2CC1 1137371378 MUQPYDQEIKDBDJ-UHFFFAOYSA-N 426.517 2.220 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@H](C)O1 1144783590 YBDLKUMLWSWAQL-ZOCIIQOWSA-N 443.500 2.181 30 10 IEEE N#Cc1ccc(CCNC(=O)CNC(=O)c2ccccc2I)cc1 1147172022 FUAFFYYGSPLLOW-UHFFFAOYSA-N 433.249 2.252 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1152041302 IFARLSSQYJLMNV-GOSISDBHSA-N 435.546 2.321 30 10 IEEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F 1153276775 NWENCGORVFULTO-SECBINFHSA-N 449.302 2.367 30 10 IEEE CN1C[C@@H](CCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1155628341 FIMGSTLZGOIRTQ-JXFKEZNVSA-N 426.517 2.377 30 10 IEEE CN(C)S(=O)(=O)N[C@@H](CN=c1c(C#N)c[nH]c2c(F)c(F)c(F)cc12)C1CCCC1 1163312998 TZHPZBHGTIVGHO-HNNXBMFYSA-N 441.479 2.312 30 10 IEEE C#CCC1(O)CCN(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)CC1 1175854041 LPCVAFWATVJBDJ-UHFFFAOYSA-N 437.525 2.450 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1286387592 SQPQBPYUJKXJNZ-JTSKRJEESA-N 444.557 2.150 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCO[C@@H]1CCOC1 1286456363 PSHKMBZGJUHLRO-WOJBJXKFSA-N 441.507 2.204 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1286505413 ZCVUIWCSGJKLSZ-WOJBJXKFSA-N 439.585 2.434 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286798407 HMKPZKGFJQBZDL-HXUWFJFHSA-N 425.533 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)C1 1286808133 UVJUTTJZUVLQIZ-OALUTQOASA-N 431.562 2.013 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)NCC)c2)C1 1286808263 BCYYJAJQQNSDAC-UXHICEINSA-N 425.533 2.361 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2nccs2)CCOC1 1288320708 CCALNORQGMEIBV-UZLBHIALSA-N 432.550 2.137 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1288772082 DFLRDGWNNNWWJC-UONOGXRCSA-N 440.957 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1300273419 QKNVCWDZJKSWTE-JKSUJKDBSA-N 446.577 2.111 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1300412241 ZPPQNABVYOOCGT-UYAOXDASSA-N 444.557 2.180 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCCC2=O)cc1 1300553409 HNWXJYPFWOLUTA-UHFFFAOYSA-N 446.555 2.050 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC(=C)Br)n1 1300681386 NNUSLCKTYYXELM-MRXNPFEDSA-N 449.353 2.173 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOCC1 1301351172 LTVBZICLDMRQBG-FQEVSTJZSA-N 442.539 2.283 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)CC1 1301515185 QNOUEMRGQMXQLH-UHFFFAOYSA-N 438.576 2.451 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)C1 1301555249 AEBPILLJCZBLSI-CVEARBPZSA-N 437.591 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2ccco2)C1 1301587198 RUEIPLHPHDFESM-GOSISDBHSA-N 427.530 2.452 30 10 IEEE CC(C)(C)OC(=O)c1ccccc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1301727060 JAXNAMKREVTOIH-UHFFFAOYSA-N 443.525 2.387 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[C@H]2COCCO2)c1 1302990202 WYKVIDOGUPKSGS-IRXDYDNUSA-N 437.422 2.390 30 10 IEEE CCCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1313456549 WCEQHCWOMDXOLV-WOJBJXKFSA-N 438.532 2.089 30 10 IEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCC1 1315843567 HVVBITQOCDBANW-GOSISDBHSA-N 429.546 2.257 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@@H]1CCCO1 1323284011 YHYCIFXVLDEHCT-FQEVSTJZSA-N 434.561 2.450 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCCC1 1358940322 UUBVBBPHSBXVDQ-UHFFFAOYSA-N 443.621 2.490 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCCC1 1358977069 BQMCDOQXHGJFHX-QFIPXVFZSA-N 430.556 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc2c1OCCCO2 1358997095 DSIKHVKGUPFBHK-UHFFFAOYSA-N 433.512 2.073 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359058398 CGJPDDUTINMXCV-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1359060516 XMMZWNDITLNSPM-UHFFFAOYSA-N 437.573 2.241 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1359273451 AURFCQNTGJUGAE-UHFFFAOYSA-N 428.500 2.237 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccn(C)n2)C1 1359313022 FRUFTSHOJJFTOG-SIKLNZKXSA-N 430.553 2.076 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359465906 NNQSIHWERBPQKM-HYFFOGBASA-N 439.520 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CCCCC#N)CC[C@H]32)CC1 1451453636 VXFSPQWDOFLMTE-QZTJIDSGSA-N 433.553 2.465 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccnc(Br)c2)ccc1F 1454393528 CXGVDPIZVHWGPC-UHFFFAOYSA-N 428.283 2.378 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1COC 1457039160 FUMXOPVGULRYOH-DLBZAZTESA-N 439.553 2.387 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 1460206962 XYXXKDBMMREQKM-HNNXBMFYSA-N 428.470 2.040 30 10 IEEE CN1CCN(CC2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1464873751 VZVQTZQLXOQNSI-HXUWFJFHSA-N 435.613 2.450 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1466801920 HPYRYELFVKCSJH-QXMHVHEDSA-N 429.480 2.456 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 1467855708 QHKOUWIITFMWQG-SQNIBIBYSA-N 437.537 2.189 30 10 IEEE N#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)s1 1469154005 WQPLQFLDRCLIQB-UHFFFAOYSA-N 428.333 2.367 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NN3Cc4ccc(Br)cc4C3=O)CC2=O)cc1 1470237280 RIYBURXOBUKWTQ-AWEZNQCLSA-N 439.269 2.361 30 10 IEEE C#CCOc1ccccc1CNC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1477915973 PZMKBALSFLKOMQ-UHFFFAOYSA-N 441.488 2.218 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1479071161 PMLCTLXIPMRADQ-MJGOQNOKSA-N 427.549 2.100 30 10 IEEE CCCCN1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1500543795 DRINAIHQEHNEOP-TUFLPTIASA-N 446.596 2.385 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1504530787 FDIRSSBVPCOFGN-IEBWSBKVSA-N 426.496 2.250 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1Cl 1504999779 PDJOPVPGQUKKRJ-VWKPWSFCSA-N 449.939 2.292 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507560214 FJETWSMLXBODDO-QGZVFWFLSA-N 441.536 2.269 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 1507600237 XIQJKOXJQZEWAX-JOCHJYFZSA-N 444.605 2.431 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CCCCC1 1507618920 VGJJCSGNIUWUQT-UHFFFAOYSA-N 425.581 2.244 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCOC1 1507645340 ZYIDHVNPZJFKJP-IBGZPJMESA-N 433.281 2.071 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507709987 AQDMLDQPTYSHRA-IBGZPJMESA-N 440.548 2.400 30 10 IEEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 1507958525 DYFNDIKXQIJPJF-UHFFFAOYSA-N 426.340 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1508078532 YZEVCLXRMISTJY-IBGZPJMESA-N 449.559 2.252 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C2CC2)C1 1508118568 SHCBEKMTXOHRBJ-PGRDOPGGSA-N 446.573 2.291 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](OC)C1 1508144053 NCVGAZZBSKXBNT-KRWDZBQOSA-N 429.546 2.176 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCC2)nc1 1508425646 AZANNBDHWPTYAE-SFHVURJKSA-N 436.564 2.430 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCS1 1512404934 CZNKOJUKKHRIJV-OAHLLOKOSA-N 426.546 2.041 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CC(=O)N1C 1512417855 BMLOTQNDKJSSKK-YLJYHZDGSA-N 438.532 2.069 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC(C)CC2)CCOC1 1516228899 OUHHUBOKYDOGEP-REWPJTCUSA-N 446.596 2.171 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1516962469 KKTCMXIWUBSLKO-UHFFFAOYSA-N 448.506 2.156 30 10 IEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1517581260 FLWPBAFCAGAREK-QGZVFWFLSA-N 446.602 2.150 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1519049609 QKWJTBGUULYTDE-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nccs1 1519286134 UPOPUXHSTTWPOF-ZDUSSCGKSA-N 441.517 2.042 30 10 IEEE CCc1c(C(=O)Nc2cccc(OC(F)(F)F)c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 1525109042 GGTMLVDPMIGAAQ-UHFFFAOYSA-N 447.373 2.217 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCCC[C@@H]32)ccc1F 1531640186 HCOIXZGCZRGRSI-RYRKJORJSA-N 438.521 2.484 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 1534257967 QEVAJVDTVXWPHM-LEWJYISDSA-N 431.558 2.423 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539215495 DFZLLBWOWCIAGX-NSHGMRRFSA-N 443.573 2.090 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CC(F)(F)F)CC3)C2)C1 1539724066 WQWOQHBIBCQSJH-XAUUPUKJSA-N 430.471 2.480 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC(O)CC2)CC1 1539874048 AKHVLTKQRMGYOD-HSZRJFAPSA-N 433.597 2.179 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539900287 JZNJTBFXNHZIFC-FHWLQOOXSA-N 438.594 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1540868565 JIPYONVZTWJEIR-UHFFFAOYSA-N 434.544 2.458 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(OC)cc1OC 1540908222 DCQFBSAHUURBAP-UHFFFAOYSA-N 432.506 2.040 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540919582 SNHJTWDAXYOPQA-QGZVFWFLSA-N 425.624 2.154 30 10 IEEE CC(C)Cc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541446845 XCUPRLDXIUNSBG-XJUMHSELSA-N 442.564 2.398 30 10 IEEE C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1544204647 QWXUOZRKGSXTCT-NXHAUGRDSA-N 437.460 2.368 30 10 IEEE Cc1cnn(CC(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(CO)C2)c1 1548366398 NIXXMKIHIQUIKC-UTKZUKDTSA-N 447.461 2.429 30 10 IEEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)C(=O)OC(C)(C)C 1556756890 FQECFPFRQNOBDA-UHFFFAOYSA-N 436.530 2.448 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)N(C)[C@@H](C#N)C3(SC)CC3)CC2=O)cc1OC 1583141651 ZKBCVJGOBIXZNX-LPHOPBHVSA-N 431.558 2.341 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(C)c1C 1588218933 IFTPMVCOYMNBMH-UHFFFAOYSA-N 426.484 2.147 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1588929932 JDYHYZZMSGXCAU-QHAWAJNXSA-N 441.576 2.467 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1593894758 GIBOHXQGBCJOIK-UHFFFAOYSA-N 445.999 2.397 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@](C)(OC)C1 1595529837 JLXDPVUWLIQBHR-HSZRJFAPSA-N 435.532 2.438 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CCc1nccs1 1595798172 MXBJUICLQLVUJE-HNNXBMFYSA-N 425.580 2.256 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1612166939 DAZFRWSSEYMGGC-QGZVFWFLSA-N 428.562 2.476 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1ccccc1 1613594387 IDMDLEFUYUHBGT-LPHOPBHVSA-N 426.521 2.393 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)N(C)C)c2ccccc2c1=O 1615897829 DABFHIOYMOPMQQ-IVZQSRNASA-N 438.511 2.067 30 10 IEEE CC(C)(C)OC(=O)[C@]1(NC(=O)COc2ccc(C#N)c(Br)c2)CCOC1 1616777945 WCMIBXVLIGFYRQ-SFHVURJKSA-N 425.279 2.317 30 10 IEEE COC(OC)c1cccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1619015056 MHQURSBTTKZICZ-HXUWFJFHSA-N 434.500 2.332 30 10 IEEE COC1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1619482323 BOLIXAWUXMFJSZ-JCYILVPMSA-N 444.561 2.204 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC([C@H](F)C(N)=O)CC2)n(Cc2ccccc2)c1C 1620501944 RLESMCGDTNXAQP-NRFANRHFSA-N 425.508 2.499 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCC3(C#N)CCOCC3)nn2)CC1 1637332095 QTMSSULUBCQGAU-MRXNPFEDSA-N 432.525 2.290 30 10 IEEE Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642899784 COSQXSQJUYSFJU-MTJSOVHGSA-N 435.438 2.478 30 10 IEEE CC#CC[C@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1657991058 LSQHWMLKNZKFJH-JOCHJYFZSA-N 434.540 2.474 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 1664104281 AOEMGVIGOOZSOD-UFYCRDLUSA-N 435.546 2.080 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc21 1665657512 CBKFZNOBFRVPLM-GOSISDBHSA-N 425.514 2.127 30 10 IEEE C=CCOc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1681031985 NMELOWKYMVGBRK-KRWDZBQOSA-N 444.532 2.271 30 10 IEEE CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1683590070 LUZMWNWVMGCGMV-NRFANRHFSA-N 425.577 2.151 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689888427 IPXPKLKETTUHMS-ROUUACIJSA-N 428.537 2.090 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)COC3)CC1 1690110511 PDSDYENNNANVJT-UHFFFAOYSA-N 436.560 2.030 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690480289 DZQIKCGAJUQOSD-SJORKVTESA-N 438.532 2.398 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1690742476 RXQOCNNXWZQMCT-UHFFFAOYSA-N 448.549 2.204 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696223992 UQXIEVYMEWHNFY-RWNPKEDZSA-N 428.537 2.467 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC(CC#N)CC2)CC1=O 1698074493 DBWOPVOAGJIRDI-GOSISDBHSA-N 426.521 2.472 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCCOC(F)(F)F)cc1 1698489065 WMMJZBFJXGTYKV-QGZVFWFLSA-N 436.438 2.264 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705811006 OFMPJAVAIQFKJG-UHFFFAOYSA-N 437.483 2.147 30 10 IEEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705814376 NBSHPMXWQKPBNO-GOSISDBHSA-N 449.577 2.444 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1705843320 BYWVOJRGWLCTSG-IBGZPJMESA-N 445.589 2.273 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1705877525 KFKYASDJGNGDQE-IBGZPJMESA-N 445.589 2.086 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706111050 DRBAHKFVSXJAJA-RUSYGTNHSA-N 428.537 2.107 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccccc1F 1706621151 ITGWBWRPUXOFSA-UHFFFAOYSA-N 448.506 2.197 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1709654084 UZISSGDRMQVHEB-IBGZPJMESA-N 447.547 2.126 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1710873030 DJNQRYBHNRFZMN-LJQANCHMSA-N 439.545 2.326 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722329684 MHIHGTMWZJLMEI-KRWDZBQOSA-N 430.530 2.491 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(CCC)CC1 1722350154 NYSJDDZKSNQMLN-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722358433 HPQJDDHLQAJGOT-KNQAVFIVSA-N 430.574 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCC1 1722393490 DCNPYPVFAKDTMJ-UHFFFAOYSA-N 444.539 2.443 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1722461640 TUJVBXGCFDEGPE-GOSISDBHSA-N 427.574 2.206 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nnn(C)n2)CC1 1722566549 UHNMTPIXKFMHPK-INIZCTEOSA-N 443.556 2.121 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722738714 OBEGGXMQCJYWJN-DJIMGWMZSA-N 426.608 2.103 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723000632 RMUMKAISZQSPHR-GOSISDBHSA-N 429.569 2.322 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1723788873 MVWRJKPGWVHEBD-ZACQAIPSSA-N 448.568 2.329 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1c(F)cccc1Cl 1723911502 HDYAWKMVVUJFOM-VXGBXAGGSA-N 428.921 2.467 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1728293563 KPTNCJVXAOGFDX-AYOQOUSVSA-N 429.546 2.255 30 10 IEEE CN(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(F)c1 1729318337 GOJUCZXJAQSEJV-LEWJYISDSA-N 435.507 2.435 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1729408541 GFNRBMKAHKCLFT-QFIPXVFZSA-N 449.540 2.301 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1730919080 NBZMSUCWCKEAKK-RTWAWAEBSA-N 441.532 2.254 30 10 IEEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1731187781 YOIQOUCIOSSZOR-FQEVSTJZSA-N 438.532 2.265 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1740650965 UZKDVFWWFKZXSZ-HXUWFJFHSA-N 435.528 2.340 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cn2ccc(C)cc2n1 1740680057 QDTQPCXTMAYCTE-QHCPKHFHSA-N 438.532 2.021 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN(C)CC(F)(F)F)CC1 1740699199 XSPKDQCOUDSRQF-UHFFFAOYSA-N 434.510 2.313 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740760596 QIYKBQMYOGSILR-UTKZUKDTSA-N 427.553 2.045 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCN(C)C1 1741127725 HHMGCAOWMDFNNJ-IFXJQAMLSA-N 433.354 2.370 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1748104551 JRRBAFWJXPBCBC-SJLPKXTDSA-N 432.532 2.094 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccc(C(F)F)n1 1748784253 HELNJEPMCAEYPK-UHFFFAOYSA-N 446.487 2.084 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN(CC)CCC(F)(F)F 1748785483 YUAVXOCFUHSCKG-UHFFFAOYSA-N 426.443 2.350 30 10 IEEE COc1cccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1748968027 JSECBWAWGXWHMJ-DYESRHJHSA-N 428.468 2.149 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCN1C1CC1 1748969412 UEMIPJKCURIHGZ-OAQYLSRUSA-N 425.581 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCc2nc(C)no2)CC1 1749015828 OWKMTHADLLSRSO-UHFFFAOYSA-N 439.564 2.301 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749040268 SDWTVBOJMSTIKG-RTWAWAEBSA-N 440.617 2.177 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)C1 1749125807 YGEFFMUZRAUICM-KKSFZXQISA-N 441.532 2.222 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749220733 OOGGEVDJLUMEIH-UHFFFAOYSA-N 425.537 2.271 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1749348713 WRKXKDURGRQBNX-BTYIYWSLSA-N 431.562 2.212 30 10 IEEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749401014 QVWWIKMBHZGCCT-IBGZPJMESA-N 439.626 2.464 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1749445823 YYXCRRKXKYUMMY-QGZVFWFLSA-N 433.578 2.352 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccccc2)CC1 1749676338 MTIJMLIXUBSTOS-UHFFFAOYSA-N 445.571 2.278 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC2CCCCC2)C1 1749705841 KQPZYAANOVVTBQ-LJQANCHMSA-N 427.553 2.299 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)[C@H](C)C1 1749852920 WWDQPBQNTZTMGO-DYESRHJHSA-N 438.532 2.069 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1751190969 DNZWZQKECXQTFC-CRAIPNDOSA-N 430.534 2.089 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccc(F)cc2)cs1 1751783736 ZVUBVDUWLSCMFA-RXVVDRJESA-N 442.520 2.409 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1cccc(Cl)c1 1760247792 PKIBPSLUKMIZDQ-NRFANRHFSA-N 428.924 2.326 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(C)[C@H](C)CC)CC1 1760255681 GLHGWDKNVYRLEE-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCC[C@H]2CC)CC1 1760261973 XQJMGEGTIKYEKB-JOCHJYFZSA-N 438.624 2.159 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1760268553 TXOQNQFRSNUOPR-RTBURBONSA-N 437.592 2.359 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760276343 ACMYTOICSYGRFG-UHFFFAOYSA-N 439.994 2.047 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1760329819 LLUDQPVJWIHOTN-GOSISDBHSA-N 433.475 2.400 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1760503839 QHXUHTNGTGFUKV-VQIMIIECSA-N 438.532 2.256 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1760505188 NQGFKKDCKIMBRZ-LAUBAEHRSA-N 440.610 2.150 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1760514629 BSYBCGWCXBEMGS-UHFFFAOYSA-N 449.559 2.455 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1760515482 VCUANLWWSKZOQF-KRWDZBQOSA-N 449.490 2.361 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)(C)CC1 1760524292 UNHSJHMERKKRHN-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCC(OC)CC2)C1 1760545036 MGDYNNGPUNFCDT-LJQANCHMSA-N 441.580 2.406 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1761545087 PWEFSGDIQUVNSI-PMAPCBKXSA-N 440.523 2.395 30 10 IEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1765009830 HUDUDNAREZEGTD-IBGZPJMESA-N 430.578 2.172 30 10 IEEE Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1767502204 MHVSPMDWCZYDGX-SFHVURJKSA-N 438.561 2.402 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccccn1 1768281217 OSQYNKFVSGRWPS-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(F)(F)CO1 1768663587 VUSXUIBSUDYECA-QGZVFWFLSA-N 430.459 2.333 30 10 IEEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1)CC(F)(F)F 1768917177 BGZLPHOYVVLGFV-INIZCTEOSA-N 435.454 2.231 30 10 IEEE Cn1cc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)cn1 1769015332 FKJKGNCYGDMUKH-CQSZACIVSA-N 428.294 2.218 30 10 IEEE CO[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769563340 WQOFXFZNRNORNJ-XJKSGUPXSA-N 448.369 2.258 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1769744170 NZFGZARGBOOPOT-UHFFFAOYSA-N 426.521 2.113 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCCOCC(F)F)cc1 1770740037 HDDMNQQKISZLPA-MRXNPFEDSA-N 432.431 2.129 30 10 IEEE COCCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1771055005 HXIKATMFNUPFPL-UHFFFAOYSA-N 438.532 2.356 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1771188225 UTMYZOASNKUVLR-JUXOCIIHSA-N 433.553 2.470 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c(C)c1 1851585687 MGXCEUZKLHFNFZ-NRFANRHFSA-N 447.539 2.288 30 10 IEEE CN(C(=O)CSCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)cn1 1851610007 RSBQTOPXTZWBQT-UHFFFAOYSA-N 427.505 2.137 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)n(C)n2)c1 1852480542 ZBSXNQAIJYSSRL-INIZCTEOSA-N 435.440 2.348 30 10 IEEE COc1cccc(C#CCNC(=O)c2cc(Br)cnc2N2CCOCC2)c1 1852771818 YSVIEAJMGHPUNJ-UHFFFAOYSA-N 430.302 2.471 30 10 IEEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC[C@@H](Oc4cnccc4Cl)C3)CC2=O)ccn1 1856307893 ZNVFBRUQGYUMRE-RHSMWYFYSA-N 425.876 2.144 30 10 IEEE C=C1CCCN([C@@H]2CCCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1856544058 DDMFIEGOXTVIIJ-HXUWFJFHSA-N 437.606 2.140 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572796 MYPCXJUKKWVEEK-BLVKFPJESA-N 441.436 2.361 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862694452 KCFXMICHZCCOFD-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C[C@H](C(=O)O)N(CCC#N)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1866340252 MTNNPBTVPOQZBW-LLVKDONJSA-N 436.262 2.041 30 10 IEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1868171802 SXMGIUGITNFAAQ-GOSISDBHSA-N 446.554 2.488 30 10 IEEE CN(C)C1CCN(C(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)CC1 1869930359 YHVQDHNABNINSS-HXUWFJFHSA-N 426.542 2.019 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)Nc1c(C#N)nnn1-c1ccc2[nH]ncc2c1 1870099008 JTLQMVWBLZNSBN-UHFFFAOYSA-N 429.849 2.478 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cc(C)ccc2OC)cn1CCO 1870426754 MOYHIOVMSKWSMP-UHFFFAOYSA-N 441.528 2.349 30 10 IEEE CCCCN(CCO)c1nc(=Nc2ccccc2C#N)nc(N(CCO)CCCC)[nH]1 1871730745 FMVKOOJDKZWLMP-UHFFFAOYSA-N 427.553 2.106 30 10 IEEE CCOc1cc(/C=N/n2c(CCOC)nnc2SCC(=O)N(CC)CC)ccc1O 1874469438 FRPCOSZAEQLCIF-FYJGNVAPSA-N 435.550 2.414 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(N(c3cc(OC)ncn3)C3CC3)CC2)cs1 1890428418 JKEQQTVCTJNDMF-UHFFFAOYSA-N 442.545 2.131 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCCO1 1969642186 MBVKUAJQCRFLJQ-ZCNNSNEGSA-N 428.533 2.295 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2010226385 ZVMREWYZVGFVEL-NXOAAHMSSA-N 439.553 2.074 30 10 IEEE COC(=O)[C@H](CCNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247945084 VJQNPEJLJMDHOS-MCIONIFRSA-N 426.319 2.041 30 10 IEEE COCCN(c1cccc(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2255370172 RBIIOWIKSNVZFM-UHFFFAOYSA-N 433.358 2.453 30 10 IEEE Cc1nc(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2255647509 ZRHKWMKOXOYJOJ-UHFFFAOYSA-N 443.378 2.481 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825610 CFODYTIWEHLYDY-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256612161 CHIUVNGJDKSIBL-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094358 FNDYQKRTEJVXIL-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)[nH]n2)OC1(C)C 2267135542 DNUVLYMJGAMFQI-KOSHJBKYSA-N 436.365 2.303 30 10 IEEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267144382 VUIOKZSOFUEWJR-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267188954 TVGBTWYOFLLNDC-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267193539 GUUXLNJESJGUBE-QDMKHBRRSA-N 446.357 2.369 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267272863 DXRHYNUDPMTOAW-WBVHZDCISA-N 443.353 2.462 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550667 CITKLLHJZUHMLJ-HOTGVXAUSA-N 446.357 2.342 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2267606350 WNQTVHILMAEXTQ-FUHWJXTLSA-N 440.353 2.228 30 10 IEEE CC1(C)CN(Cc2ccccc2)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267882308 QLTJIYVMLXTZCR-SFHVURJKSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCCO1 2268662874 FGZFJOXVZYCNMR-JOCHJYFZSA-N 447.341 2.393 30 10 IEEE COc1[nH]c(=NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501813 PQLIWTDESSJKLE-HNNXBMFYSA-N 433.358 2.480 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(C)ccc1O 2329035011 VUDLKLJOUSRCOE-OAHLLOKOSA-N 431.518 2.164 30 10 IEEE NC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(Br)ccc1F 2330939110 GIMAQNFIMFCBID-LBPRGKRZSA-N 428.287 2.491 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203547 ZBXDCWBQKCYOCU-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2nccn2Cc2ccccc2)n1C 2337272907 OSDJFSXPJNCHEK-UHFFFAOYSA-N 435.337 2.203 30 10 IEEE COc1nc(O[C@@]2(CN)CCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339830744 AQEQXRANHZIIEY-XMMPIXPASA-N 439.365 2.372 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3C(=O)OC)cc2C1=O 25187324 RFMUPBFBQHSFCP-UHFFFAOYSA-N 449.463 2.344 30 10 IEEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F 254847248 WSTCUESNIBAYAD-RYUDHWBXSA-N 436.433 2.172 30 10 IEEE Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)c2ccc(C#N)cc2C)[C@H](C(=O)N(C)C)C1 438940615 XCFBXFINYDIJMN-QFIPXVFZSA-N 443.507 2.102 30 10 IEEE Cc1nsc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1C#N 439294297 JAJSJDDDJWLAEV-UHFFFAOYSA-N 429.321 2.345 30 10 IEEE Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2)n(C)n1 443937249 NBBHMUPRDUYNFA-HNNXBMFYSA-N 438.351 2.310 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 460932354 NTAXFPCRLGJZLB-DLBZAZTESA-N 443.639 2.299 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CCC(=O)N(C)C)CC2)n(C2CCCC2)c1C 473203873 RWFDYFUXRUCFNW-UHFFFAOYSA-N 428.581 2.126 30 10 IEEE N#CC[C@@H](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 474413086 SSSHGHODTCHHCY-KRWDZBQOSA-N 433.555 2.473 30 10 IEEE C=C(C)Cn1c(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 479820527 CCAFISVVKRRNSI-UHFFFAOYSA-N 447.542 2.170 30 10 IEEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 502540882 XJKHHOZCJCIHFG-OAQYLSRUSA-N 437.562 2.392 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 503051496 HHORJHQYYCPREH-OAQYLSRUSA-N 435.546 2.349 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 505886878 NRTMKKNTNDLMSO-UHFFFAOYSA-N 446.504 2.257 30 10 IEEE CC1CCC(NC(=O)CN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 506190063 KSKNIZSPSRSOFP-KXXGJQBSSA-N 434.581 2.087 30 10 IEEE C[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC[C@H]1C 510296028 BWFCIFJUJDRJJN-RMJJICAUSA-N 432.590 2.194 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCN(c2cc(C#N)ccn2)CC1 533244056 TYCZUOOIAIIXNG-UHFFFAOYSA-N 429.528 2.194 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCOC1 533544941 HLNTZFJIPMJBRM-ZDUSSCGKSA-N 430.476 2.097 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1 537784851 RPNPNRXBXVKMFX-KRWDZBQOSA-N 439.331 2.377 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](c3cccc(O)c3)C2)CC1 539453355 KPYROGQOQUVAPI-GOTSBHOMSA-N 438.503 2.314 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)CC1 539453359 KPYROGQOQUVAPI-XZOQPEGZSA-N 438.503 2.314 30 10 IEEE CN1C(=O)c2ccc(S(=O)(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cc2C1=O 542984936 RPGCRNWLIOUKCE-UHFFFAOYSA-N 441.856 2.424 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)CC2)n1 546196441 VAUHNPZGDQZJJH-UHFFFAOYSA-N 442.273 2.009 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(CNCCS(=O)(=O)c3cccc(C#N)c3)cc2)C[C@H](C)O1 548908399 SQSKPLGBKPQKFY-ROUUACIJSA-N 441.553 2.371 30 10 IEEE N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1C(F)(F)F 549794796 VNUWVHZKWNHZAK-BBRMVZONSA-N 425.407 2.199 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCCCN3C(=O)c4ccccc4C3=O)C2=O)cc1 552521988 ZIWACSKLFKJHFK-NRFANRHFSA-N 444.491 2.242 30 10 IEEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C2 552713803 RROBDEFBOASNDU-NRFANRHFSA-N 427.526 2.455 30 10 IEEE COc1cc(CNC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1C#N 568693689 WYWOCMUQORSNAB-UHFFFAOYSA-N 426.448 2.139 30 10 IEEE Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 585478558 FJBGYQPBZLOWBE-UHFFFAOYSA-N 426.546 2.158 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](Cc4ccncc4)C3)CC2)cc1 611803174 MOBKXMFUDLTTSB-FQEVSTJZSA-N 438.553 2.445 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669814268 GSYKOVUIOWTHPO-OAHLLOKOSA-N 432.431 2.205 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670197081 VWRHEDFZHAUOGD-KRWDZBQOSA-N 440.504 2.011 30 10 IEEE CCN[C@H](C#N)[C@H](C)n1cnc(I)c1I 699290852 MJJDWDUHKANASR-NKWVEPMBSA-N 430.031 2.155 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1OC 729428688 GJKXFODKZLVVBT-SFHVURJKSA-N 431.514 2.322 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1CCN(c2nc3ccccc3s2)CC1 732156476 OCYPDDUOBLYMGZ-ZZEZOPTASA-N 425.514 2.155 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1 732696285 BCEHPOGPZWJPOE-LPHOPBHVSA-N 431.562 2.311 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 733888807 FNINKMFPOMLXAG-VHEBQXMUSA-N 426.454 2.436 30 10 IEEE CS(=O)(=O)N1C/C(=C/c2cnn3ccccc23)C(=O)/C(=C\c2cnn3ccccc23)C1 747440809 VRGBQAJTEOVKBC-BJPQZVBLSA-N 433.493 2.293 30 10 IEEE C#CCN(CC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 754643996 GVZPAJQSIOMRJK-HXUWFJFHSA-N 442.537 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 761039105 XIWOIMKBVXNSIZ-GOSISDBHSA-N 429.521 2.018 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccnn2)C1=O 766420481 RLPBQZVYOUMVBM-GOSISDBHSA-N 444.536 2.205 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 773266841 ZJVNODTZJDISSG-LJQANCHMSA-N 430.549 2.089 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 781599700 ZWUSKEJXXZTWSP-HNNXBMFYSA-N 447.463 2.123 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)nn2C)cc1 790012063 JYTLMCHRDYZNQC-IBGZPJMESA-N 442.589 2.237 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(OCC)c1 792746868 NYDDFOMMFAXIPO-HKUYNNGSSA-N 430.574 2.497 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1c1cncn1C 796087769 JODDAMYWIJDUJC-WBTYWQJWSA-N 431.537 2.096 30 10 IEEE C[C@@H]1[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC(=O)N1Cc1ccccc1 798455049 AYRIQBINTVZKPW-LULLPPNCSA-N 441.532 2.234 30 10 IEEE CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)S(=O)(=O)c1ccc(Br)c(C)c1 798824576 NPFKWOMRWQMWSD-LLVKDONJSA-N 426.296 2.019 30 10 IEEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 802565194 WGJOCODOWOWDOU-INIZCTEOSA-N 447.463 2.318 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)cc1 1125136544 IEKBKGUTGFKXKX-JHGYQWQCSA-N 442.497 2.228 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CC2)nc1 1148315410 XZMCMSWDLIIKHC-INIZCTEOSA-N 430.555 2.261 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)n(C2CCCCC2)c1C 1176599046 NQQYRKUDAMTRJR-SFHVURJKSA-N 436.578 2.166 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1180001262 ZAYSUUPWOVSEAX-IBSYWUHOSA-N 427.501 2.070 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Cl)c1Br 1208449140 HOTWZLVZVJUGRD-LBPRGKRZSA-N 440.768 2.055 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 1213711862 REQLLEPVWXJNKB-UHFFFAOYSA-N 449.529 2.041 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1286346665 BLLLGGLFCZXRNN-SFTDATJTSA-N 436.560 2.282 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1286444212 SKHGNVWDNIRUNQ-UHFFFAOYSA-N 440.529 2.021 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286446112 DORDFNWXJUFBLU-LSDHHAIUSA-N 433.603 2.269 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286454996 QNWUIBVSQJYOKZ-OAQYLSRUSA-N 426.540 2.308 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCN2CCCO)CC1 1286476126 OVLFBQRCSOOOIN-IBGZPJMESA-N 442.995 2.201 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286506441 ISSPCSFKFYLETA-UFYCRDLUSA-N 433.622 2.433 30 10 IEEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286690483 KBUZFGLFOXYENI-UHFFFAOYSA-N 442.589 2.214 30 10 IEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286704850 HMSGRGQVKNDSKC-HMXCVIKNSA-N 430.597 2.475 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1288512835 AEJPWCKYBAQGSH-MRXNPFEDSA-N 442.545 2.293 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 1290045495 GSFUGAJELLFLGP-UHFFFAOYSA-N 436.516 2.331 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1290921578 HPDDXLNZNXNECE-ISLYRVAYSA-N 427.509 2.343 30 10 IEEE CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C#N)c1 1297715361 GGJOFVMYKXILPK-UHFFFAOYSA-N 441.561 2.083 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3cc(F)ncn3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1298244381 VRHTTZAMIZRYEM-UHFFFAOYSA-N 426.301 2.186 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)C[C@@H]1C 1299435713 ROQNGDYNXPRHOX-ZDUSSCGKSA-N 438.517 2.302 30 10 IEEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@H]2C)cc1 1300260430 GEPQSIJUJZXVNA-QZTJIDSGSA-N 428.537 2.325 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(CC)nn(C)c1OC 1300315230 TYKPASGBSVSWBU-MRXNPFEDSA-N 432.532 2.327 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300361872 IYTIPFHMTZPLMJ-AZUAARDMSA-N 428.581 2.112 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(N2CCCCC2)c1 1300513336 VIZGAQGJGKHWSX-RUZDIDTESA-N 448.571 2.437 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)O 1300788465 ABMAGLWAEOEWFD-OAQYLSRUSA-N 430.578 2.310 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1300789141 ZVCBMNRTIJCJEP-MOPGFXCFSA-N 429.487 2.416 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300993686 DNYTZBDELLKUKR-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCCCCn1c(COCC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1301198332 HGJQVBRVDTXPMH-KRWDZBQOSA-N 425.541 2.324 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)c1ccccc1 1302097606 MUTOSIHPMOGTBS-NSHGMRRFSA-N 428.537 2.256 30 10 IEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 1303880272 HNFJDHJHEZZSGO-SIKLNZKXSA-N 443.573 2.381 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cc1 1315412430 AUMPQJLCNCPLCX-IBGZPJMESA-N 441.513 2.480 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1315878024 FIPFEKQESHJYBV-QGZVFWFLSA-N 438.488 2.384 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1316099785 CXXQOUQPKSALDY-UHFFFAOYSA-N 433.516 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C1CC1 1358885959 UYDYOYIYEGDXTJ-MRXNPFEDSA-N 429.594 2.180 30 10 IEEE C#CCCCn1c([C@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1358920369 XTYAPIIQHGCYMD-LJQANCHMSA-N 438.580 2.158 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCC1 1358939855 HIDWNKOVNLKDGL-UHFFFAOYSA-N 443.621 2.492 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1358957949 DMOIQZZAYMAOPX-MRXNPFEDSA-N 445.570 2.481 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960799 MCNRBMUPXYMMFI-FHWLQOOXSA-N 444.605 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358991241 SJBXEPYTZXIBDP-GOSISDBHSA-N 434.466 2.389 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCCC1 1359017950 XYFVXMGDHWGQJL-UHFFFAOYSA-N 425.508 2.485 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359202412 RYFCZAALNCODPF-QZTJIDSGSA-N 429.569 2.168 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(OC)c2)C1 1359324930 UYWWPIYAFMZIKI-GOSISDBHSA-N 441.532 2.247 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)c1C 1360879309 JKEAUFPDQJGUQA-FHWLQOOXSA-N 427.505 2.179 30 10 IEEE CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1449851956 HLKNOFKUMNXWHM-UHFFFAOYSA-N 447.491 2.343 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@H]32)s1 1452965238 BKZYJFQDPDJBKY-YESZJQIVSA-N 440.587 2.335 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1ccc(Br)cc1C#N 1460447233 HXULBZKNKVOBLI-IBGZPJMESA-N 440.338 2.409 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3cc(C#N)cs3)cc2[N+](=O)[O-])CC1 1463073980 ABDDJXSHVONDND-UHFFFAOYSA-N 427.486 2.469 30 10 IEEE C=CCn1cc2ccc(NC(=O)N3CCC(C(=O)OCC)(S(C)(=O)=O)CC3)cc2n1 1467352225 KUKIYJBCNDBXCX-UHFFFAOYSA-N 434.518 2.197 30 10 IEEE C#CCN(C(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1470700292 GOOSDKBLFPQPIL-IBGZPJMESA-N 449.573 2.385 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 1470881514 RFWSXPQHRPKLAB-LJQANCHMSA-N 428.489 2.199 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1503943534 HJMBOQLKOPHJMV-BZUAXINKSA-N 435.550 2.021 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCSC2)CC1=O 1504898862 BJRIXKFBWJSRLQ-MJGOQNOKSA-N 440.573 2.253 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(N(C)C)CCOCC1 1507546344 QLODJWZPBIEEAA-SFHVURJKSA-N 427.549 2.434 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1507738718 WPCLVNVUQQBRCS-UHFFFAOYSA-N 435.532 2.050 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1507757057 UGFRHFXLWXXPLH-UHFFFAOYSA-N 426.590 2.371 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507782369 CMNZLTVTBXYWPZ-UHFFFAOYSA-N 445.325 2.262 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1507803833 JBLUWAZNWXSGEA-UTKZUKDTSA-N 445.589 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1507803981 IAMZWDBARKVPRE-WJPUGNRLSA-N 425.468 2.349 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)CC1 1507842908 OBBWEKPDGSCINK-UHFFFAOYSA-N 435.532 2.392 30 10 IEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507948182 OIVVKMVBTUZTGR-JBACZVJFSA-N 430.597 2.475 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508167471 KRFHAFRLNTZCEP-PXNSSMCTSA-N 445.637 2.216 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1508415693 DUDUIQKXWJUQRD-AWEZNQCLSA-N 447.337 2.162 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1509952741 JOBZULZOSLNWJE-NXEZZACHSA-N 444.849 2.422 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1514178411 FTSNPRKOAYQMPK-LJQANCHMSA-N 442.589 2.393 30 10 IEEE CCCN(CC)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1514700224 AXOOIXQKGQWMLH-HXUWFJFHSA-N 433.557 2.443 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517223980 HBZVQCSGACGGCV-UFVMTTLYSA-N 428.537 2.467 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)c(OC)c1 1518163369 KLKZQMJTYVWVGX-CQSZACIVSA-N 436.472 2.142 30 10 IEEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCCC1 1518990037 DEOFVSIBVFLZBS-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1525870903 MNVXXVRZMDGSQA-INIZCTEOSA-N 447.495 2.442 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]2CCCC[C@@H]21 1527872916 UDEYURDLBJVIRE-QRVBRYPASA-N 433.530 2.072 30 10 IEEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1534236818 NWTOFEZWIJOVRD-INIZCTEOSA-N 449.916 2.394 30 10 IEEE Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)ncc1C#N 1537996772 BXPISLUBWMAVIR-KRWDZBQOSA-N 429.521 2.287 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1539132346 IXZFPUHKNLOTBD-UHFFFAOYSA-N 425.518 2.161 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC1CC1 1539178009 DHONTZYMQSMKGW-IBGZPJMESA-N 428.558 2.395 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1539219889 OCSSIVWXWHEZCQ-FQEVSTJZSA-N 446.548 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539323783 LJPSFSBKEINRTJ-IRLDBZIGSA-N 448.571 2.303 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCN1C1CC1 1539397328 ZZMJVLOXILUMJD-LJQANCHMSA-N 437.548 2.028 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1539526439 OVPXMKDDVDOPOC-PMERELPUSA-N 445.614 2.141 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1540041947 HNYJNQPVRYLGSP-UHFFFAOYSA-N 432.500 2.050 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)NCCNc3ccc(C#N)cn3)cc21 1540780089 OCKKFXDKPHSBTJ-HNNXBMFYSA-N 425.493 2.351 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1ccco1 1540864861 NJRJMVLDCJKHFT-HNNXBMFYSA-N 443.529 2.441 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CCc1ccccc1F 1540901585 ITFGDCOAEBPLDW-UHFFFAOYSA-N 430.509 2.154 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Cc3cccc(F)c3)[C@@H](C(N)=O)C2)cc1C(F)(F)F 1548368077 QDNGEJIINIJIFT-GOSISDBHSA-N 434.393 2.461 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CN(C(=O)OC(C)(C)C)C1 1555611794 FEEOPFGSHWJMAW-HOTGVXAUSA-N 436.557 2.465 30 10 IEEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1555682214 PUISLXXJNSJGQP-GOSISDBHSA-N 433.553 2.472 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSCc2ccccc2F)CCO1 1555992099 GOQJENSHXHJECH-QGZVFWFLSA-N 444.536 2.315 30 10 IEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 1556453617 FKYNAXMYZZSZBC-OWCLPIDISA-N 449.882 2.272 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1563992798 LSBMVDMJKDUSPX-OAHLLOKOSA-N 446.470 2.194 30 10 IEEE Cc1nsc(N2CCN(C(=O)NC[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1565232187 HPYVEPUKNCWZSG-CQSZACIVSA-N 447.586 2.362 30 10 IEEE C[C@@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1585289907 ANUJSPYEJCKLSO-HJPURHCSSA-N 426.517 2.022 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)n2)c1 1586513510 ZXNXDWOABVGAMW-KSSFIOAISA-N 438.431 2.326 30 10 IEEE O=C(NCC[S@](=O)CC(F)(F)F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1587188640 GPUPNLWLTFUOQH-NDEPHWFRSA-N 432.321 2.466 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1587818053 OXWAFKCQXWMXLG-INIZCTEOSA-N 441.532 2.347 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588058891 FBUDUWRVSPZGRT-MRXNPFEDSA-N 436.965 2.372 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CC1 1588084636 STBYSKQJUPZENS-INIZCTEOSA-N 430.505 2.207 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N(C)C)CCOCC1 1588093247 HMVLWXPQRSZUGR-UHFFFAOYSA-N 445.365 2.219 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](CC)N1CCc2ccccc2C1 1588158429 BARMTPYTNHCVIF-QHCPKHFHSA-N 444.583 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccnc(C(C)(C)C)n1 1588224113 PQGAEQUTERNGHY-IBGZPJMESA-N 433.560 2.412 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588891205 NDERHQKHAZEUBB-VQIMIIECSA-N 444.580 2.198 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 1588908743 VWDUVWODTGGZQA-UHFFFAOYSA-N 442.951 2.043 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1589060715 XHDBASRBQPSXKK-INIZCTEOSA-N 433.969 2.287 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1589708151 DHGCFRBOULEFCU-KRWDZBQOSA-N 443.577 2.346 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1596752476 VIPKSJCTROQWIC-INIZCTEOSA-N 426.521 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)CC1 1620490887 PGGIBIBKVQRNFD-UHFFFAOYSA-N 428.533 2.233 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(OC)c(OC)cc2Br)nn1 1622441667 WELPLKHLXZSVTE-UHFFFAOYSA-N 431.312 2.112 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1OC 1623535422 GXYDRUHSHORXIW-VQHVLOKHSA-N 430.501 2.191 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3CCCC3)c(C(F)(F)F)c2)C1=O 1625873511 AYAWKZFREBAERI-UHFFFAOYSA-N 438.406 2.217 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1628216897 BZISWSQKSKWALX-AWEZNQCLSA-N 445.944 2.035 30 10 IEEE C#CCN(C(=O)NC[C@H]1CN(CC(C)C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1628774395 WEIVDEKNNYTGDU-FQEVSTJZSA-N 436.597 2.388 30 10 IEEE Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1630687108 HQYNIBSMKPEMQQ-PLRJNAJWSA-N 445.545 2.196 30 10 IEEE C[C@@]1(c2ccc(CNC(=O)c3cccc(C#N)c3Br)cc2)NC(=O)NC1=O 1632113188 RVKMSIYMYCXNGS-IBGZPJMESA-N 427.258 2.305 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2n[nH]c(C)c2I)c1OC 1632985000 MQTDOTPUDKPNIN-JTQLQIEISA-N 426.214 2.335 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CC[C@](CO)(C(F)(F)F)C1 1634206635 SBKUAZKTSCCSOH-LBPRGKRZSA-N 425.276 2.219 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 1635700964 GUGNQQLLYOQZDZ-SFHVURJKSA-N 446.916 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1635701872 VTDDSNMMTSPXNY-ZGXWSNOMSA-N 438.528 2.278 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1 1638392392 ATVBHVVNZTVAGT-LJQANCHMSA-N 442.951 2.315 30 10 IEEE C=CCC[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1640864118 PLEHBRIKVSNYRF-IRXDYDNUSA-N 435.546 2.154 30 10 IEEE N#CCSc1cccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c1 1641936732 IFIZBLXFGLSOON-UHFFFAOYSA-N 444.582 2.039 30 10 IEEE COc1ccc(Cl)c(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)c1 1644419481 UWHTZRRAZUUEKW-UHFFFAOYSA-N 447.944 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1649538761 GWQJZMLZXKYUSW-AUUYWEPGSA-N 438.454 2.440 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973601 PHUOIELVAOFLEW-CQSZACIVSA-N 431.455 2.259 30 10 IEEE CCO[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1CNC(=O)OC(C)(C)C 1659295573 HSLSENMHGUBEOW-YLJYHZDGSA-N 441.528 2.148 30 10 IEEE C#C[C@@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1667570908 NWNMILNQRRJXCO-NRFANRHFSA-N 434.562 2.231 30 10 IEEE C#CC[C@H]1CCN(S(=O)(=O)c2ccc(I)c(C(=O)OC)c2)C1 1671500742 ADJQPVFKZUWSTO-NSHDSACASA-N 433.267 2.112 30 10 IEEE Cn1cc(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c(-c2ccc(C#N)cc2)n1 1671561974 LPUHYAMDBDGDCY-UHFFFAOYSA-N 446.471 2.294 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c(C)s1 1679216808 WKGBFKZIRRFRRB-GOSISDBHSA-N 448.570 2.298 30 10 IEEE COc1ncc(Br)cc1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1682794131 FOOUZVYVGYFHIX-OAHLLOKOSA-N 432.278 2.482 30 10 IEEE O=C(NCC#CCO)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1683603250 WTWUAFTWXCBJHK-JLHYYAGUSA-N 428.297 2.325 30 10 IEEE C#CCCCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1689941626 SIXJKJOYWABXOH-FDDCHVKYSA-N 431.581 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1689955643 OMFUTFIGXHSLCG-UHFFFAOYSA-N 427.505 2.317 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC[C@H]1C 1689973285 AXULTTKLOYSACP-MRXNPFEDSA-N 448.365 2.410 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCN1CCOCC1 1689977973 IWFFTNQSSVFNIY-KDURUIRLSA-N 446.596 2.231 30 10 IEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689991805 CQDFKOMBRYKUOV-SFHVURJKSA-N 430.574 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1690026502 BPQUCHWAJGTRTB-OAQYLSRUSA-N 446.555 2.302 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C)s1 1690668596 BFCGTTIFFVLXDT-UHFFFAOYSA-N 428.518 2.314 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1690992911 BMESLUCFMWMJKZ-OLZOCXBDSA-N 449.562 2.249 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1694219756 FUUNYCAKOZMLSY-JTSKRJEESA-N 432.569 2.363 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1CCOC1 1696179739 ZSHBZFCBTUYNJA-ROUUACIJSA-N 427.505 2.411 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)c1ccccc1 1705595021 BQQWGBKYVAJDHC-UHFFFAOYSA-N 436.541 2.006 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C)ccc1OC 1705599050 UQSAFUUNQFWACI-HXUWFJFHSA-N 440.569 2.203 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1705642550 XUNNUPIVPQDWRU-PMACEKPBSA-N 425.581 2.099 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)C(C)C)CC1 1705642775 HATMZBPVWCIEAY-HSZRJFAPSA-N 427.549 2.028 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CC1(OCCOC)CCOCC1 1705673970 UBNCSFNSMNAQFE-JOCHJYFZSA-N 427.549 2.488 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1705676447 BQNUAXUSEBNBPE-OXJNMPFZSA-N 438.498 2.277 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705738284 RNHOZKGXRJJNAS-KNQAVFIVSA-N 444.624 2.202 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1705879637 GYZLGWGOHHESGO-UHFFFAOYSA-N 449.353 2.359 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CC(N)=O)C1 1705943769 KFEGELNRQMHXHS-AWEZNQCLSA-N 432.550 2.017 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)F)C1 1712710908 VCUMHCCIQSUYEM-INIZCTEOSA-N 438.504 2.238 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOC2=O)C1 1712875138 LKNBOKJYWNNTAU-LJQANCHMSA-N 429.412 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1722296850 VTYSTTWADPAIRX-LNLFQRSKSA-N 427.574 2.089 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1722384288 SIOSDRXCDIVCAI-HXUWFJFHSA-N 432.503 2.481 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1722397572 RVZBXMNJBCEQEN-UHFFFAOYSA-N 432.572 2.288 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(C2CC2)C1 1722405201 LDASUONUBUVQLK-QGZVFWFLSA-N 427.574 2.292 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722423904 TXOQCWYOJORDKJ-REWPJTCUSA-N 426.517 2.378 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722530293 QNGBOYAZMGJKDP-UHFFFAOYSA-N 431.500 2.066 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722625203 QCUWLYUIVXATKI-UHFFFAOYSA-N 431.541 2.328 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722727571 PHMSZHQGKPCZPY-BZSNNMDCSA-N 425.599 2.039 30 10 IEEE CCC(O)(CC)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1727285910 FCYWNDSCKSRQLL-INIZCTEOSA-N 445.520 2.251 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](OC)C(C)C 1727658345 FDEQHYQFGKPAPO-OALUTQOASA-N 426.521 2.115 30 10 IEEE CCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729151456 SWDODNCUJHBQDR-HXUWFJFHSA-N 437.548 2.360 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1729750780 SDCJDNKJUQHRCM-SFHVURJKSA-N 429.546 2.322 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)c(F)c1 1740535489 RIMRCWHHPIYXNB-MSOLQXFVSA-N 445.539 2.484 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740551340 TVRFTJWEGURKHX-FUHWJXTLSA-N 443.552 2.309 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CSCCS2)CC1 1740704646 VNEWMFSSACHUME-KRWDZBQOSA-N 442.614 2.155 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1740734843 PQAKGOWEMULGSZ-HXUWFJFHSA-N 446.433 2.399 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1740794083 OVCVSVYRSFZPKJ-UHFFFAOYSA-N 445.593 2.221 30 10 IEEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1740802010 FVBXNTZJDBDULU-UHFFFAOYSA-N 445.571 2.235 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1OC 1740802787 NXORQNAQRYZNEO-AWEZNQCLSA-N 427.958 2.328 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2Cc3ccccc3O2)CC1 1740832710 GVFDTSCGJIXKOC-CRAIPNDOSA-N 431.562 2.294 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1741637896 ZEVNAZITCBKWAE-IBGZPJMESA-N 432.532 2.383 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1741647205 KDLRWYCECMEYET-BXUZGUMPSA-N 426.399 2.085 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[C@@H]1CCOC1 1741683765 MHNONTGPDJYXBC-YLJYHZDGSA-N 438.532 2.292 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N(C)C1CC1 1741885007 FHCDKDNNIRYMLQ-JKSUJKDBSA-N 430.578 2.169 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1748990997 NQLDIBAKMPSBIU-UYAOXDASSA-N 428.606 2.292 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1749387183 TTYBAJXSFWGFPS-DLBZAZTESA-N 437.610 2.278 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(C)cn2)C1 1749697604 LLKTYKLCKZSXQB-UGKGYDQZSA-N 430.553 2.305 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)O)C1 1749699125 ZQRKLVHXQHNSJD-INIZCTEOSA-N 448.593 2.099 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C)C(C)(C)C2)C1 1749705203 GSRRIPJDDGBNNW-IBGZPJMESA-N 427.597 2.091 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749760250 HAMCKDZPPIOLTK-GOSISDBHSA-N 445.593 2.114 30 10 IEEE CC(=O)N1CCC(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1749814575 JQHXFQCPNISFGI-VGSWGCGISA-N 432.569 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760097754 JNHVNFKMMCIZEE-YESZJQIVSA-N 449.552 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1760110792 HIEGZIOASVWYDP-QGZVFWFLSA-N 449.559 2.295 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)CN1CCOCC1 1760123835 LWMHJCKGFBMDNB-RBUKOAKNSA-N 427.549 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1760255976 QXLCZWVAJGEOFH-UHFFFAOYSA-N 432.528 2.352 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCCN(C)C)c2)CC1 1760258447 XNVIBWVQUIEGGV-UHFFFAOYSA-N 433.560 2.017 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760281897 ZPCKNCBNOFLHIQ-ZIAGYGMSSA-N 431.484 2.143 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760327814 MFLLCALJTDKZIL-GBPOLFSSSA-N 447.580 2.002 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1760334394 JVDFMJJHRGXHAA-OXQOHEQNSA-N 442.520 2.353 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760341210 KJIXKTPIKZLPPQ-AEFFLSMTSA-N 442.951 2.400 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)C 1760484968 OYPKEQDYDGTPBP-SFHVURJKSA-N 428.512 2.333 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1760501643 XKBRQQZYHZGPAJ-IBGZPJMESA-N 449.577 2.383 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1760501921 HROLXWLRIJAZFY-UHFFFAOYSA-N 439.969 2.273 30 10 IEEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1762802394 GRTWSWDZLBHUJH-NZBFNNPHSA-N 443.573 2.381 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1767063700 LDWSUTWFTVWAMU-LJQANCHMSA-N 427.530 2.035 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1767178543 RIJQOKOGRHBQNM-UHFFFAOYSA-N 441.536 2.298 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2occc2C)CC1 1770685209 FACQPRBTRHHRBC-UHFFFAOYSA-N 434.500 2.498 30 10 IEEE COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789562 BHXZHQIUYNTZKK-GOSISDBHSA-N 446.481 2.143 30 10 IEEE C=CCC1C(=O)NC(=NC(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)NC1=O 1851637225 FBALPWADMVKNBK-UHFFFAOYSA-N 433.390 2.442 30 10 IEEE N#Cc1cnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)C1CN(S(=O)(=O)C2CC2)C1 1852308338 GKPHISZOQOXSJZ-UHFFFAOYSA-N 439.419 2.125 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2[nH]nnc2-c2ccccc2)cc1 1852322442 XCXWDPXNBADRKP-HXUWFJFHSA-N 433.468 2.280 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1ccc(F)cc1 1852513520 KPGRDELGMYTLTM-OAHLLOKOSA-N 444.536 2.044 30 10 IEEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C(=S)N=CN(C)C)c1ccc(Cl)cc1 1852833580 BQYYXVVYDQYHCJ-OAHLLOKOSA-N 430.983 2.362 30 10 IEEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C1(C)C 1854775796 XLPGJAMRRWVMHY-UHFFFAOYSA-N 427.482 2.019 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3c(F)cccc3Cl)C(=O)O2)CC1 1856652576 ALEKMQSEKCBWFG-CQSZACIVSA-N 429.857 2.005 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cccc(F)c2)cc1 1858976851 IAHBRQJKJADVBH-DHZHZOJOSA-N 431.489 2.372 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695529 GONHNMZCIUQXRR-HXPMCKFVSA-N 443.452 2.377 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCc1cnc[nH]1 1870517856 YRZCGWRLGVZTNN-UHFFFAOYSA-N 427.549 2.283 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(OC)c2)c1 1874309274 NZDCVQFYRKOSNF-FSJBWODESA-N 441.513 2.246 30 10 IEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C(C)C)cc(Br)c1O 1874512581 DXVNEKITAIPNDR-NGYBGAFCSA-N 428.312 2.338 30 10 IEEE N#C[C@H]1CC12CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 1892070045 DBLUHTISRIFQQR-CRAIPNDOSA-N 432.502 2.290 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2232304698 YREMRIFJVCOPMM-JOCHJYFZSA-N 447.341 2.015 30 10 IEEE CC1(C)OB(c2cncc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2243426185 VIEYZLIUSAAEGV-UHFFFAOYSA-N 437.305 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248406491 YXJWSQSEOBDJFD-UHFFFAOYSA-N 437.371 2.316 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2255649030 PWXBTMAFLNKLRE-CQSZACIVSA-N 431.298 2.164 30 10 IEEE C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2255699076 UXRAPPPCHCSBFS-CQSZACIVSA-N 431.342 2.366 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255836268 WDFMUISZGVBBTH-WDEREUQCSA-N 447.288 2.114 30 10 IEEE CCC[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256067275 NBAOSYHJGUJEJB-CQSZACIVSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]12 2256620529 JSJBMFCAHXAMSG-PXIJXODZSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CC(CO)C1 2256676631 QLYKIOLRMSNDSV-RPYGNYITSA-N 436.358 2.489 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 2267131255 ZAIYEMUIAAYWEZ-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267143335 GUGVNSBOOVBSBA-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267175303 JXYGYQKRYVCOQN-MRXNPFEDSA-N 446.357 2.247 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(Cc2ccccc2)C1 2267178425 BJSYZOAPTSGXLY-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267188209 JFHOOOMSYFLUCV-XLIONFOSSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267188955 TVGBTWYOFLLNDC-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2267486044 KDXOXKNFUYJZGF-NHCUHLMSSA-N 438.333 2.485 30 10 IEEE CC1(C2CCN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)CC2)OCCO1 2282350428 MUZODSJETWBMLX-UHFFFAOYSA-N 443.396 2.211 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccccc1 2296079370 KQHUKPXKCHZRFF-HXUWFJFHSA-N 437.452 2.349 30 10 IEEE Cn1cc(I)c([C@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)n1 2296267120 PNCRGQNWZBCRRL-GXTWGEPZSA-N 446.086 2.200 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1C 2296925734 XUMLHYPVHUKNGB-LJQANCHMSA-N 425.485 2.401 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)n1C 2315696813 JQLMBJTYNNTUOU-INIZCTEOSA-N 427.354 2.441 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2329320666 NZOFHZZDVXYUPE-UHFFFAOYSA-N 426.458 2.363 30 10 IEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1O 2330778293 SBOWLHCFNNUFHY-UHFFFAOYSA-N 432.550 2.243 30 10 IEEE C#CCN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(I)c2)C1=O 2987625 JFMLQBDUDINAQX-GHXNOFRVSA-N 443.218 2.424 30 10 IEEE COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295053 VASOSJGFNVYREE-QGZVFWFLSA-N 442.541 2.209 30 10 IEEE COCCn1c(=O)c2c(ncn2Cc2cccc(C#N)c2)n(-c2ccc(F)cc2F)c1=O 34694244 RFSGNHNUVOSPFO-UHFFFAOYSA-N 437.406 2.193 30 10 IEEE COc1ccc2ccccc2c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 34705431 SURMMVPRNKBVLF-JLPGSUDCSA-N 449.515 2.153 30 10 IEEE COC(=O)C(/C=C/c1ccc(N(C)C)o1)=C1/C(=O)N(c2ccc(C(=O)O)cc2)N=C1C#N 39127528 PJGRVMDJTZETBD-RKJCRGJCSA-N 434.408 2.453 30 10 IEEE COCCN(Cc1ccc(C#N)cc1OC(F)F)c1c(O)nc(=O)n(CC(C)C)c1N 437410529 IWNZHHLGOCPRKW-UHFFFAOYSA-N 437.447 2.313 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](c2ccccc2)c2nc[nH]n2)CC1 439459793 WIFWOZKUDWNTJY-IFMALSPDSA-N 433.491 2.032 30 10 IEEE C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)n1nnc(-c2ccccc2)n1 463642301 DMNPRWLSWPZBFF-KBXCAEBGSA-N 433.497 2.313 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 464205524 KVTFZVUPXPSWCJ-MRXNPFEDSA-N 427.461 2.258 30 10 IEEE Cc1c(C#N)c(NC(=O)CCN2CCS(=O)(=O)C(C)(C)C2)n(Cc2ccco2)c1C 464849105 DFNMTZFXPNTQKH-UHFFFAOYSA-N 432.546 2.456 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)NCCOc3ccc(C#N)cc3)C2=O)c1 478490515 MZKPWCHNCKXQFZ-NRFANRHFSA-N 438.484 2.401 30 10 IEEE COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c(C)c1OC 478604295 VZHFHXPYHOTUKY-ZDUSSCGKSA-N 433.486 2.198 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478755642 OANDEAMTFYTCSQ-QGZVFWFLSA-N 442.585 2.375 30 10 IEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508686262 FGSCPERWBKEFPI-SFHVURJKSA-N 441.532 2.127 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cc3occc3s2)CC1 508862523 FCBWGQRSIJYOKH-HNNXBMFYSA-N 429.502 2.322 30 10 IEEE COC(=O)c1cn([C@@H]2CCCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)nn1 546586734 FSIVEYOEIXXXSD-CHWSQXEVSA-N 428.518 2.151 30 10 IEEE COc1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)ccc1C#N 571605183 YLYUVEAZXXNCQI-UHFFFAOYSA-N 437.905 2.409 30 10 IEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)C)C[C@H]2C)CC1 619848593 JMHZAIHSWXNJGP-GCJKJVERSA-N 435.576 2.462 30 10 IEEE C=CCOCCNC(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 679628878 NCEDSSXNPYRVNQ-UHFFFAOYSA-N 431.562 2.306 30 10 IEEE CN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2Cl)CC1 729884698 NBUOGHZJXVHSEL-UHFFFAOYSA-N 429.883 2.357 30 10 IEEE O=C(NC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1 733889821 BMHUQSXWGQFCRI-UNEBPCJRSA-N 425.489 2.106 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)N[C@@H](c1ccccc1)c1cccs1 741339281 DGHKTIJWRDPPPY-RZRVEKSFSA-N 439.493 2.413 30 10 IEEE CC(C)NC(=O)c1ccccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742534866 MTEVPUCVGASJNG-AWEZNQCLSA-N 428.514 2.281 30 10 IEEE CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 745812810 DLVYFXNJCGTJGK-QURGRASLSA-N 437.500 2.237 30 10 IEEE O=C(OCC#Cc1ccccc1Cl)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 747081803 HXDVEGCNBQHNBD-QGZVFWFLSA-N 428.293 2.228 30 10 IEEE COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747498224 POZGUAKFQWBVDH-UHFFFAOYSA-N 425.441 2.396 30 10 IEEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 752665676 QNCANGSWSJSHPV-ILMVXMMVSA-N 447.536 2.085 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C1CCCC1 757180193 YTQXUYXRYDPRFP-UHFFFAOYSA-N 432.542 2.278 30 10 IEEE CC(C)n1ncc2cc(/C=C/C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(=O)[nH]c21 757575820 IHCJKUBNTAKXOQ-YMPXZSTISA-N 440.504 2.194 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2ccccn2)c1=O 758049244 DYSNLAWNAAOHBY-UHFFFAOYSA-N 439.418 2.343 30 10 IEEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(-c3ccccc3C#N)c2=O)c1 763460751 NRTBAHUWIMNPGC-UHFFFAOYSA-N 436.496 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1 778447589 ZKEGUAFWHGOKEP-LJQANCHMSA-N 428.533 2.297 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)ccc1OC 787490469 CMGCSEVMSPSTMH-GOSISDBHSA-N 448.479 2.483 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCCN(Cc3ccccc3)S(C)(=O)=O)cc2C1=O 791249345 SOJXORHQHBKDOL-UHFFFAOYSA-N 442.493 2.087 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCSC1 794441009 MUEZUGXMYASXDM-YOEHRIQHSA-N 436.603 2.200 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 805782298 JHKBPWZTSQWKEQ-OAQYLSRUSA-N 446.617 2.458 30 10 IEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO1)[C@H]1CCc2ccccc21 812303513 ALVCXHHMQUFHSM-SBHAEUEKSA-N 440.569 2.486 30 10 IEEE CCCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2C1=O 916178992 BHQOJHCHEKTSSN-UHFFFAOYSA-N 425.466 2.214 30 10 IEEE CCOc1cc(C=NNc2nc(SCC(=O)Nc3nnc(CC)s3)n[nH]2)ccc1O 1084288438 NWTBRYHGBSYBJZ-UHFFFAOYSA-N 448.534 2.500 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1)Nc1nc[nH]n1 1084351751 OQVHCMQHOBALGF-UHFFFAOYSA-N 428.265 2.112 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)OCc3ccccc3)n2N)cc1 1084514062 JKQMGHFYAYZTLJ-UHFFFAOYSA-N 440.485 2.060 30 10 IEEE N#CC1(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1124495920 XDMNDQGVDQJVGO-UHFFFAOYSA-N 427.910 2.010 30 10 IEEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)ncc1C(N)=O 1125305737 DCNNAVDDGTXHLU-PLRJNAJWSA-N 443.529 2.334 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2cc(C#N)ccc2F)c1 1128713854 VEOSEFAAQXNKPJ-UHFFFAOYSA-N 440.294 2.477 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)c1 1136832264 FRQVWCRBFQMABL-HXUWFJFHSA-N 439.537 2.147 30 10 IEEE CCOC(=O)[C@@H]1c2ccoc2CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1174562568 FJVBFRJRAUPBFW-UWJYYQICSA-N 442.541 2.212 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1ccc(F)cc1 1177986469 BMSOZKPIKGVMFL-SFHVURJKSA-N 447.532 2.144 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1197819189 XWBCIQMLSWINRI-XXBNENTESA-N 428.533 2.405 30 10 IEEE CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC(C#N)(C(=O)OC)CC3)c2)n1 1198071877 HFKJUNTUXPZOGI-UHFFFAOYSA-N 425.445 2.360 30 10 IEEE C#C[C@H](NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1)C1CCOCC1 1203453790 CNLGTIBOTUZFMW-SFHVURJKSA-N 444.536 2.084 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](CNC(=O)NC)C1 1219084773 YPKHHFIXNZZASA-ZDUSSCGKSA-N 427.299 2.176 30 10 IEEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1264834390 BGNAWXJNADTPDZ-GOSISDBHSA-N 432.484 2.018 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)F)CC1 1286318499 VTVHFYKCJAEELP-UHFFFAOYSA-N 441.490 2.111 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)C)CC1 1286472310 RWBSGCDTLCAZTI-SFHVURJKSA-N 442.539 2.085 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1 1286516472 GYROSZXMGWKUFV-PGRDOPGGSA-N 444.605 2.407 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1286516475 HBLJXXSKWIIGKL-LAUBAEHRSA-N 436.626 2.145 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ncn(C)n2)CC1 1286640999 RKDVMENIFHFKOS-UHFFFAOYSA-N 425.493 2.304 30 10 IEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC(C)C)CC1 1286644508 ALQKJBPOLLUKBG-UHFFFAOYSA-N 435.532 2.263 30 10 IEEE CCc1nnc(N2CC[C@H](COc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1292969176 QZJWPSMDHMRUCX-NFFVOIMASA-N 436.516 2.272 30 10 IEEE C=CC1(CC(=O)N2CCCN(CC(=O)N(CC)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1292986656 NMVCXRLAPHFXSS-UHFFFAOYSA-N 436.597 2.202 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)C(=O)OC 1297029766 NHTOHHKGEGWNPQ-CHWSQXEVSA-N 439.559 2.496 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)C1=O 1297061572 JMWVYVCFFPJVLZ-FCGDIQPGSA-N 435.565 2.426 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1298133058 KRFHHQXKSVSJCY-ROUUACIJSA-N 429.546 2.113 30 10 IEEE Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1298911565 MFRBRLLNIZOJKL-OAHLLOKOSA-N 428.447 2.387 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1298916115 JOAQBCASNWXHLY-SFHVURJKSA-N 433.520 2.022 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O 1300431085 SONUYWKKFMSVRX-CJNGLKHVSA-N 430.896 2.129 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1300432555 XJSQEMBPAOORBS-DEOSSOPVSA-N 439.560 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@](C)(O)C1CC1 1300649157 LMXAPESZUNFJFW-HSZRJFAPSA-N 425.533 2.394 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301082425 HXANNSGYHRIXFD-OALUTQOASA-N 444.511 2.066 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)Cc1cccc(F)c1 1301289519 JRHXFELAZJJOAX-UHFFFAOYSA-N 440.479 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301490188 MSWSPWZEMWXIMH-KDURUIRLSA-N 440.592 2.355 30 10 IEEE CC(C)NC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1303443849 FPIABEUNDBYFSL-AWEZNQCLSA-N 431.928 2.124 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)C1 1303534856 NGUOCUNLMGDHRA-FQEVSTJZSA-N 430.501 2.091 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)C1 1303947360 OUPRZPOKXHOHGU-XXBNENTESA-N 438.532 2.104 30 10 IEEE C[C@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCO1 1304931061 CBWJHMMVGCKULJ-ROUUACIJSA-N 438.532 2.260 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)C2)nc1 1312679241 YVCLHYCUCFHMGS-RBUKOAKNSA-N 425.537 2.219 30 10 IEEE C#C[C@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1312936748 KNWCOAHOUHVPBC-INIZCTEOSA-N 428.352 2.189 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1314890423 JAHRPNDDNFWFMW-OAHLLOKOSA-N 426.502 2.398 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315717286 PEKWMDJZHGZARE-DMEQXSTQSA-N 440.504 2.234 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(F)(F)Br)c1 1316530483 VTHZOKAWJFJLJY-LBPRGKRZSA-N 425.237 2.116 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 1351734896 CXGDWPMUQLLKJS-UHFFFAOYSA-N 442.277 2.318 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1358961553 AXUFUPUETLSTQM-LJQANCHMSA-N 443.573 2.404 30 10 IEEE C#CCN(c1nnc(COCC)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358966956 AKAALQTZEHABCB-GOSISDBHSA-N 438.594 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCn1ccnc1C 1358971271 ONKOUIXJGUKNQC-UHFFFAOYSA-N 426.322 2.324 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 1358977180 GFVWDZKIRJNODS-FQEVSTJZSA-N 426.542 2.239 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1358989659 KXAQPMUSTOPKCU-LJQANCHMSA-N 437.544 2.146 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1359065710 ZARIGOMMIGAWEX-FYYLOGMGSA-N 432.565 2.242 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1359069699 VBQOYYTYEPLKRH-WZONZLPQSA-N 438.507 2.099 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359188105 GFSFMAWNPUALAC-BBWFWOEESA-N 426.583 2.023 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1359240080 FPWAFZDHIBAOJR-IEBWSBKVSA-N 449.577 2.009 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnc(C)s1 1359302461 IFXPFLXGJVCTGE-UHFFFAOYSA-N 436.545 2.220 30 10 IEEE C=CC1(CC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1443408544 NMROJANYQNHYDK-UHFFFAOYSA-N 442.560 2.243 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2c(Br)nc3n2CCCC3)C1 1447476177 AMBFYIHMJHLRIF-RYUDHWBXSA-N 438.326 2.471 30 10 IEEE Cc1oc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1CN1C(=O)c2ccccc2C1=O 1448505982 DTCIMEWYZCBZEZ-UHFFFAOYSA-N 433.420 2.433 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1449336330 NQAMXYHLYHAHHJ-CHWSQXEVSA-N 445.504 2.175 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1I 1456055880 AUEMDHNEKOCIMV-GFCCVEGCSA-N 436.257 2.008 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1462002503 WWHBGLRKASJSIF-VQTJNVASSA-N 445.564 2.376 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)c1 1464342513 ZYCXIUYHMNVVLL-UHFFFAOYSA-N 425.242 2.259 30 10 IEEE C=CC1(CC(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)CN(C(=O)OC(C)(C)C)C1 1466156820 LDKCHFPSDSPJGZ-UHFFFAOYSA-N 444.532 2.374 30 10 IEEE CN(C)CC#CCNC(=O)Cc1cc(Br)cc(I)c1 1471036716 OUDXQXUQYSTIGU-UHFFFAOYSA-N 435.103 2.277 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)c1 1474853868 KDDWOXUUKXHSLB-UHFFFAOYSA-N 439.415 2.428 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1504958309 FNTVHECSHIQVDE-INIZCTEOSA-N 439.582 2.099 30 10 IEEE CS[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1505163577 BTFMINGPLDGHJT-XCLFUZPHSA-N 427.509 2.385 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1507592426 RUPFJUDQHODYJI-RDTXWAMCSA-N 448.511 2.123 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507633293 RRGDEONCVXCKMF-SXLOBPIMSA-N 428.558 2.212 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1c(C)nn(Cc2ccccc2)c1C 1507636635 BQRUPADEJNTONF-UHFFFAOYSA-N 443.555 2.399 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1NC(=O)CC1(C)C 1507701203 ZMUOVBRNBMGEHD-LJQANCHMSA-N 433.491 2.429 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507802580 AXYFBKUUVWURIK-JXFKEZNVSA-N 427.509 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1508141269 MAYLEUCEOGIFAQ-BRWVUGGUSA-N 428.624 2.493 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C1CC1 1508410432 FIFJHJKJIBZIQJ-LBPRGKRZSA-N 434.342 2.168 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCCO2)C1 1510289952 GAPKFYIOCUJTHZ-PGRDOPGGSA-N 430.553 2.116 30 10 IEEE COc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc1 1518334798 MMTRFTLZDLZNDU-IBGZPJMESA-N 436.472 2.266 30 10 IEEE CC(C)CN1C[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)CCN2C1=O 1520324344 FUJPLWNNUCKGQS-CQSZACIVSA-N 435.322 2.304 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CCCN1C(=O)OC(C)(C)C 1531288715 JIWNTIKCNGYJHZ-FQEVSTJZSA-N 436.534 2.063 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)cc1 1534501689 WKFDHFVFRRKNNB-UHFFFAOYSA-N 443.463 2.384 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 1538667411 HJLUYFNATWOOJY-NRFANRHFSA-N 447.944 2.287 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539065771 KNUIKTLJZDVGFY-BVSLBCMMSA-N 442.608 2.312 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1539172103 SXALQAQDTTYVMU-UHFFFAOYSA-N 436.426 2.037 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C(C)C)N1CCOCC1 1539190845 UHESTCLRUNKVMP-JOCHJYFZSA-N 425.577 2.498 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(n1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1539201704 BXSNWTGYTUHZTL-LJQANCHMSA-N 427.574 2.350 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539206939 XVFXCDVERLNTBV-PMACEKPBSA-N 442.585 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(O)CCN(C(C)C)CC1 1539539449 UUQPBUHDBKNKQZ-SIKLNZKXSA-N 433.597 2.230 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1539779358 VJRLSUJUXPVYSN-SJORKVTESA-N 440.976 2.337 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1540890949 MZEIYBMWFPFRNY-RTBURBONSA-N 446.573 2.210 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H](O)C1 1554150005 DHQRJWBJDFHKDW-ZCNNSNEGSA-N 443.573 2.239 30 10 IEEE COCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CCOCC1 1555300719 DLLUSYWLUNNMOH-IBGZPJMESA-N 438.532 2.180 30 10 IEEE COCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1555472510 YWXYXNWXNVUWQM-NRFANRHFSA-N 428.516 2.321 30 10 IEEE COCCOCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555725437 SNKCBJXLNREVQZ-UHFFFAOYSA-N 430.528 2.477 30 10 IEEE CSCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555932356 PRDRVSYQMHRILV-UHFFFAOYSA-N 425.566 2.267 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCSc2ccccc2)CCO1 1555992572 VNWIGXXRRJUEEP-KRWDZBQOSA-N 426.546 2.425 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1556411987 LLEDFNFEUKOZBR-USXIJHARSA-N 430.364 2.096 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1=O 1557595503 CXVPOUHKVKIRFR-GOSISDBHSA-N 426.517 2.240 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(CCOc4cccc(C#N)c4)C3)[C@@H]2C1 1560094771 ZRWXOPQXIVPWAH-RLLQIKCJSA-N 442.516 2.451 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 1562236547 UCSRMCQZIYNCQD-UHFFFAOYSA-N 446.504 2.022 30 10 IEEE CNS(=O)(=O)NCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1566137317 ZRMLJNJCCWXYMF-UHFFFAOYSA-N 428.392 2.362 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1584575559 WMTFRVKGWJRFGH-UHFFFAOYSA-N 428.454 2.057 30 10 IEEE C#CC[C@]1(C(=O)NC2CCC(CS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1588213388 MILIBOGOEIHYOJ-MYKUNDNFSA-N 426.579 2.499 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1588228302 DFSPIUYWXFXTOR-RPWUZVMVSA-N 447.583 2.250 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1588800512 JCOLMBBHJRQWTR-UHFFFAOYSA-N 449.559 2.280 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)NC)CC1 1594064265 LPVLKDCQDJESRY-UHFFFAOYSA-N 446.396 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595776825 GCHJIOINJURURZ-RBUKOAKNSA-N 443.573 2.102 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595866565 PEWVNSAZEFGDCW-UHFFFAOYSA-N 441.605 2.004 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)C1 1598208694 QEDQTIILZUAIPK-KDOFPFPSSA-N 434.334 2.411 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)c(=O)c1C#N 1611230511 BZGSVUNDIWYJSS-OAHLLOKOSA-N 443.301 2.218 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1612599464 IUASSXSLOOYRCA-UHFFFAOYSA-N 438.536 2.047 30 10 IEEE CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1613626657 GLLDKSYQKRMFFS-IRXDYDNUSA-N 435.536 2.085 30 10 IEEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1615892698 CMHKUBBTWYICMB-NFBKMPQASA-N 429.613 2.330 30 10 IEEE N#C[C@@H](CO)NC(=O)c1ccccc1NC(=O)c1ccccc1I 1624090663 KDVSUHQMIOQPQE-NSHDSACASA-N 435.221 2.158 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C)C(=O)OC 1626184268 QTJOAUVMNKAIPW-GOSISDBHSA-N 444.509 2.123 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C/CN2CCOCC2)CC1 1627454933 NPPQJOCZONHAAF-SNDJDQCESA-N 433.350 2.046 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1629349599 HZXSDONETURNLK-INIZCTEOSA-N 429.945 2.120 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1)C(=O)OC 1629613272 YWQHECQIDVEPSO-SFHVURJKSA-N 440.452 2.016 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N=c2cc[nH]cc2I)c1 1631701421 QRZRLWPFRVYADM-UHFFFAOYSA-N 440.262 2.157 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1632394585 OZCVRYDCKUTDPE-UHFFFAOYSA-N 445.497 2.333 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CC1 1634876615 WZZVLCSWAYFHSS-UHFFFAOYSA-N 438.753 2.028 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H]1CCC[C@H]1C#N 1635419685 VYVRLDPHOBIYCO-FUHWJXTLSA-N 433.530 2.009 30 10 IEEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1635971815 XCVPDABCSDILEZ-INIZCTEOSA-N 440.363 2.183 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CCOCC2)c1 1641661876 ILDWKPBIFCPPQY-UHFFFAOYSA-N 447.539 2.204 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cn(CCOC)c(=O)nc1O 1643401155 BSJIMEZGGKYULB-UHFFFAOYSA-N 427.379 2.109 30 10 IEEE CC(=O)N1CCN(CCOc2ccc(CCNc3cc(C#N)nc(C4CC4)n3)cc2)CC1 1650719458 PWCAUDGLBKOUHH-UHFFFAOYSA-N 434.544 2.423 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 1654479994 UGXCUEITLJBVAL-WVDZOPJMSA-N 426.604 2.427 30 10 IEEE N#C[C@]12CN(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]1CS(=O)(=O)C2 1656343277 KKLXYPHPTPTVGH-MGPUTAFESA-N 433.917 2.086 30 10 IEEE C[C@@H](CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 1658407047 IESZNEPGZAJXFD-KRWDZBQOSA-N 447.582 2.072 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1666340534 UMAROXOXMPSERG-UHFFFAOYSA-N 447.326 2.093 30 10 IEEE COCCO[C@]12CCC[C@@]1(NC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 1686083612 CEICVYJZVITSRR-WWPVKYPJSA-N 442.516 2.055 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1cccc(C2CC2)c1)[C@H]1CCS(=O)(=O)C1 1689996222 FLAOFDLFHIAXRP-FQEVSTJZSA-N 428.558 2.367 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCCC2)c1 1690015607 RYBTWWWRQBFZDE-FQEVSTJZSA-N 432.528 2.457 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H](O)C1 1690072834 WAAUEQRFYACZSH-IRXDYDNUSA-N 430.578 2.249 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1690077253 LKWZEFPRWQRNRR-SFHVURJKSA-N 443.552 2.251 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC(F)(F)CO1 1690097833 PKPFEKCMSPWPEX-MRXNPFEDSA-N 436.459 2.473 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1690102775 UXQCUHDGYWNAAJ-LJQANCHMSA-N 432.546 2.058 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCn1cccn1 1690236012 HHNYOYYABKSZPG-PKOBYXMFSA-N 436.520 2.240 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690673784 DPVSPKDRMVQLQP-UHFFFAOYSA-N 441.580 2.240 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(C)Cc1ccc(F)cc1 1693541002 CXMZPSKTXUVKID-UHFFFAOYSA-N 434.523 2.451 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705519026 WDMCAQZTGVMJRK-UHFFFAOYSA-N 433.553 2.283 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)C 1705591920 ZWTNHSPPVSPYDV-UHFFFAOYSA-N 443.573 2.083 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1(=O)=O 1705609400 BXLRVIOPXLXKPC-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(COC)cc2)CC1 1705652783 NJVHGZVPNRNEPE-OAQYLSRUSA-N 437.544 2.290 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1705672752 HHFJHULQBRMLAA-GAJHUEQPSA-N 444.580 2.473 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705697330 LGCVUKSMUOLQPP-CWVBCOCOSA-N 447.580 2.040 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705754859 HBRHOGAQXIOVTR-ZACQAIPSSA-N 444.001 2.380 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 1705904245 JUFSSSXWUFUFFX-QGZVFWFLSA-N 448.568 2.125 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1705913628 TUEFJGCUKACJAI-IEBWSBKVSA-N 446.573 2.266 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[S@](=O)C(C)(C)C)C1 1705916160 IOTUIEYRFUQBOS-CJHUWTACSA-N 440.610 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705932952 PHAMJVFYRIAPBC-UKRRQHHQSA-N 445.467 2.097 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1710887999 AQTXGKBVQPCJNK-LJQANCHMSA-N 446.577 2.309 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1711226123 XGWJAFPXYXKLDO-ZPHPHTNESA-N 427.509 2.051 30 10 IEEE COCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712125325 DGXAEJRWLKOBDY-UHFFFAOYSA-N 426.569 2.143 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1712510940 UKXJTAZZYZSFCO-VQIMIIECSA-N 440.548 2.425 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)C1 1712693961 CXWWLXBLLHHIBI-IBGZPJMESA-N 441.513 2.036 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1712875608 QIGZXJCFBXMIJZ-LIRRHRJNSA-N 448.480 2.120 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1722332011 BXCHCAOWDQDILQ-PGRDOPGGSA-N 428.558 2.346 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722362060 MIHLGBOVJGGNSG-INIZCTEOSA-N 432.521 2.016 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722385125 ALLUFUWWZUJQPT-NHCUHLMSSA-N 443.617 2.288 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCCCC2)CC1 1722446096 MOGSGZGOZMSGHR-UHFFFAOYSA-N 449.603 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2nc(C)cs2)CC1 1722449754 YOENTNBSWGWDEF-UHFFFAOYSA-N 435.557 2.043 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722482583 BQDWJOIGNDIWBO-INIZCTEOSA-N 437.386 2.197 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1722574218 HYCGEBRVNBKWQG-DBSRCYSRSA-N 437.610 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccco2)C1 1722720194 HXGHGIBPNTVFGZ-GCJKJVERSA-N 426.521 2.422 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(C)(=O)=O)C1 1722721316 FQFLGTYXKFHBBJ-BRWVUGGUSA-N 426.583 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C)c2ccccc2C1 1722725851 UPIHOWMDKHGUSQ-UHFFFAOYSA-N 438.557 2.397 30 10 IEEE C[C@@]1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1724042571 BMWLNAPGVQDPCO-QFBILLFUSA-N 448.321 2.242 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1724056407 CMZGRYZZWMDZEB-SFHVURJKSA-N 426.521 2.461 30 10 IEEE C[C@@H]1CCC[C@@](Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)(N(C)C)C1 1726516524 BVGPEQVLGHVXBK-VOQZNFBZSA-N 431.560 2.353 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](OC)C2)CCOCC1 1730884695 AWATWJOOYHIGJX-FQEVSTJZSA-N 441.532 2.254 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCOCC2)c1 1730994206 HWMISCQDFXWSPZ-FQEVSTJZSA-N 433.509 2.217 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740575621 PREWTLCUZBNEGK-RBUKOAKNSA-N 437.610 2.083 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740626347 WVNUWUWYHMULRC-IBGZPJMESA-N 428.558 2.326 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc2c1OCCCO2 1740631418 BANXAUIEDCTEBV-DEOSSOPVSA-N 436.512 2.213 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](Cc2ccccc2)OC)CC1 1740697799 GWCOZNCWRBYWEY-HSZRJFAPSA-N 430.556 2.277 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnn(C)c2C)CC1 1740699607 MVXSPXYOOQHOHL-UHFFFAOYSA-N 439.951 2.356 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740718924 XEJSZAHUOQJQJX-OAHLLOKOSA-N 445.511 2.043 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1740756628 JSYKVNIJNZLQAH-IEBWSBKVSA-N 425.537 2.021 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1740936842 LDSZQXVQXMZTTP-KRWDZBQOSA-N 442.520 2.107 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1C(F)(F)C12CCC2 1741919577 CFKQHWLNIXEAOO-ZIAGYGMSSA-N 442.536 2.454 30 10 IEEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CC1=O 1746425338 RIXDNVTVJBIRAE-UHFFFAOYSA-N 435.488 2.058 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1747420080 VWPJJPPHNWUMQZ-APWZRJJASA-N 447.561 2.025 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1748760231 WMFXJBLLLTZXPK-UHFFFAOYSA-N 438.580 2.281 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1748814348 DNPCJJMTUHTICT-SFHVURJKSA-N 429.546 2.014 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C)C1=O 1749544916 QSMAHLFVDOFFPX-OAQYLSRUSA-N 428.562 2.247 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCn1cc([C@@H]2CCOC2)cn1 1750113513 QEGAIINFHSXJBJ-XSYGEPLQSA-N 443.552 2.141 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1750386115 HIULOOKLHLSQPT-CYBMUJFWSA-N 430.394 2.120 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1CCOCC1 1760196976 OFRYQFQDFFTGLK-UHFFFAOYSA-N 426.542 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1760218864 ORBNBMKOEHJTLU-NRFANRHFSA-N 440.569 2.250 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1 1760220335 ZJXIZUUIDUXVFA-LJQANCHMSA-N 426.542 2.031 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760245719 CJVOLIQSKXNHON-KDURUIRLSA-N 426.565 2.314 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCSCC#C)CC1 1760270776 ZMLNTCWPPHYSDU-UHFFFAOYSA-N 439.560 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCCC(C)(C)C2)CC1 1760272059 XDFXOFWFYVCYKR-UHFFFAOYSA-N 426.609 2.318 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1760353531 VHHGASXRPLAPDW-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CC1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1760406060 QJEPWQWWGBTQJP-RBUKOAKNSA-N 437.610 2.421 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br)C1CC1 1760473993 KNQXCXPMSNEIMX-JTQLQIEISA-N 425.299 2.323 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760517588 RBNHJSWAFQNRAS-GOSISDBHSA-N 425.924 2.077 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)F)CC1 1760524862 LPGJQZQTYAVWGK-UHFFFAOYSA-N 438.910 2.212 30 10 IEEE C=CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760568296 DZCCOGUGNRLLQJ-SVMVAKDDSA-N 449.621 2.295 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760804928 CJWZGZXIWPVDPS-HKBQPEDESA-N 441.605 2.371 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1763272488 ADOBQQZAWKVLGN-SAHWJRBASA-N 441.532 2.272 30 10 IEEE CCN(CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1765258684 BSACZFUQAXGKRI-XLIONFOSSA-N 426.521 2.250 30 10 IEEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766864434 ALAAYRYCWAFNKM-OAQYLSRUSA-N 445.527 2.192 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1767063998 RMZKUNMTQQHAAX-RTBURBONSA-N 427.530 2.033 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1 1770832391 AQGWSMGEJNFAIW-XZOUCZQKSA-N 443.458 2.348 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(Cl)cc1 1771223431 WMOSQRLMBBGZON-QAPCUYQASA-N 435.912 2.463 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 1772792086 GPCDFLBDYZFJIO-IIBYNOLFSA-N 426.425 2.471 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1848724000 MQFDTVHOKBRNTC-QFIPXVFZSA-N 438.553 2.369 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)CN1CCn2cnc(-c3ccccc3)c2C1=O 1852810339 VSSMHMBNKPZDQI-UHFFFAOYSA-N 443.389 2.275 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)c(C)c1 1854020566 HKUNMSYRTUDKBB-UHFFFAOYSA-N 425.510 2.167 30 10 IEEE Cn1ccc2cc(C(=O)N3CCN(S(=O)(=O)CC#N)C4(CCCCC4)C3=O)ccc21 1854401719 SWQHAXDIVNPGDZ-UHFFFAOYSA-N 428.514 2.019 30 10 IEEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2cccn(Cc3ccccc3Cl)c2=O)C1 1855726524 GLOCFGQHEYEBRN-MRXNPFEDSA-N 426.904 2.384 30 10 IEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCOc1ccc(CC)cc1Br 1861689928 KOFAWJFJBBYELA-NVXWUHKLSA-N 439.350 2.435 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(C(=O)OC)cc1 1864727915 NZJOAPALFDUNRJ-LJQANCHMSA-N 445.479 2.359 30 10 IEEE C[C@H](C(=O)O)N(CCC#N)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1866338427 XSJGBQNISQABHY-WBVHZDCISA-N 447.488 2.229 30 10 IEEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN(CCOC)CCOC)cc1=O 1870563715 MDTRCGPWNMFESV-JOCHJYFZSA-N 448.947 2.342 30 10 IEEE C=CCOc1cn(CCOCCO)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1870812302 BKHNDTOOGXEFPR-UHFFFAOYSA-N 434.489 2.060 30 10 IEEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc3c(c1)C(=O)N(C)C3=O)n2CCOC 1873615207 NLWJGPSDIOWZBW-UHFFFAOYSA-N 434.456 2.154 30 10 IEEE Cc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1 1874252248 HWEDBPCAPQGHGN-FSJBWODESA-N 441.513 2.469 30 10 IEEE Cc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 1963044060 VRBDDJPOCWDHGX-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060637217 INZFBCWGZVFRCA-VVLHAWIVSA-N 437.390 2.382 30 10 IEEE C[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CCN(C(=O)OC(C)(C)C)CC1 2124534454 IDVXIXLHORFGMS-WNRNVDISSA-N 449.401 2.478 30 10 IEEE C=CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(Br)c1=O 2172901880 YCWNNLNMJZFONV-QWHCGFSZSA-N 443.342 2.222 30 10 IEEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243417268 MVPVFAQNYLZDNO-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE C[C@@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243690273 QKVVNCPULXMJPO-LBPRGKRZSA-N 425.360 2.362 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247903494 HHVLJQVWYMVGSJ-HRCADAONSA-N 442.387 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2247920687 BJDDJRPPPHTDGZ-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2250301507 OTVCWOQFPKFWHD-OCCSQVGLSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254805941 NRCUHPBYRMLSOP-UHFFFAOYSA-N 431.342 2.207 30 10 IEEE Cc1c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255633842 IOFYCDKNJTXVHY-INIZCTEOSA-N 426.370 2.278 30 10 IEEE C[C@@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255697930 MAPKSLIVFRITKD-CQSZACIVSA-N 431.342 2.366 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256638047 AHYCNNCGCGUZAJ-OAHLLOKOSA-N 433.289 2.375 30 10 IEEE CC(C)(C#CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2256668483 AYRLCQQEXGTDDH-UHFFFAOYSA-N 449.382 2.365 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2256929864 WYXDTGKGYHQJSD-KRWDZBQOSA-N 444.362 2.362 30 10 IEEE CC[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN(C(=O)OC(C)(C)C)C1 2267128824 UFCBQYOEAUGSPQ-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267139237 DBXNSUAMJOCUSV-OAHLLOKOSA-N 448.373 2.061 30 10 IEEE CN(C[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267142218 RDYJPBBPHLWUBB-OAHLLOKOSA-N 448.373 2.428 30 10 IEEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267191006 WGCPAILSSFLLMF-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267518886 FBBWRLDVMRIROE-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268637232 KZOJZBIKYZFLHE-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268656553 YHKGXZOUPHCWBF-KDOFPFPSSA-N 446.353 2.102 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268670835 YQVXCMMUHJLOPW-QGZVFWFLSA-N 446.353 2.415 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)c(Cl)c2)OC1(C)C 2282500287 JQYUNTYKVCARJA-MRXNPFEDSA-N 443.758 2.213 30 10 IEEE C=CCOc1ccc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc1OC 2297346130 GHMVKGMJYQVTSS-UHFFFAOYSA-N 434.499 2.271 30 10 IEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NCC#N)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297470437 YTBSWTZLBNCNMW-IIAYGCDPSA-N 442.556 2.294 30 10 IEEE COc1cc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc(OC)c1O 2329825939 STLMYPOGLUAWLJ-UHFFFAOYSA-N 445.476 2.190 30 10 IEEE COCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2331240085 NKMRXJTWZLLVNT-UHFFFAOYSA-N 427.486 2.491 30 10 IEEE C#CCOC[C@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364178515 PXYVDRISCMAYKI-GOSISDBHSA-N 432.542 2.287 30 10 IEEE CC(C)Sc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)s1 20837608 XPKMQHMNMRGKSC-SYZQJQIISA-N 438.568 2.067 30 10 IEEE O=S1(=O)CC/C(=N\NS(=O)(=O)c2ccc(Br)cc2)c2ccccc21 33042787 RBTDUYXPKJFQCA-SAPNQHFASA-N 429.317 2.309 30 10 IEEE CC(C)OCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3ccccc3nc21 59524800 FDOKQVZAJATZRG-UHFFFAOYSA-N 442.479 2.472 30 10 IEEE CCOC(=O)c1c(NC(=O)C[C@H]2S/C(=N\c3ncccn3)NC2=O)sc2c1CCC2 72435108 VSLGPWQDEKFHRI-GFCCVEGCSA-N 445.526 2.451 30 10 IEEE N#Cc1c(CCCNC(=O)CNC(=O)c2ccccc2Cl)nn(-c2ccccc2)c1N 105859028 LAZKTXQMWBMYIK-UHFFFAOYSA-N 436.903 2.458 30 10 IEEE O=[N+]([O-])c1cc2c(cc1C=NNc1nc(N3CCCC3)nc(N3CCCC3)n1)OCO2 254715574 QNTUDZNWHLSFJH-UHFFFAOYSA-N 426.437 2.155 30 10 IEEE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 466528370 OACZBLJQZJQCCJ-LJQANCHMSA-N 448.928 2.417 30 10 IEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3cc(C#N)ccn3)cc2)C1 473759400 SYGHSGUOVPJWMX-HUUCEWRRSA-N 434.543 2.421 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 489286546 FWAVPCOZMMGTEN-CYBMUJFWSA-N 428.876 2.436 30 10 IEEE CC(C)C(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 513464520 ZFNIRBFPBBGXCY-GOSISDBHSA-N 441.576 2.156 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 522319141 KHCBWTDBUTZWAF-UHFFFAOYSA-N 434.540 2.418 30 10 IEEE N#Cc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 530722255 OLYRKXSYVMEISW-UHFFFAOYSA-N 433.421 2.144 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 545561539 SPGPKLXUFJKXFD-LJQANCHMSA-N 447.377 2.413 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 555246546 MUHLOGRTVLAQCJ-HXUWFJFHSA-N 431.512 2.412 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1 555253091 XWCGSPVPIZTWEU-IBGZPJMESA-N 449.577 2.092 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)n1 570916240 JSEYULXHHMNHTI-UHFFFAOYSA-N 444.278 2.205 30 10 IEEE COc1cc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)ccc1C#N 581223622 RUGDUNMBWCNMNX-LJQANCHMSA-N 437.496 2.291 30 10 IEEE COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3C#N)n2)cc1OC 585172109 OVFOIBHQVIHJBI-UHFFFAOYSA-N 435.396 2.346 30 10 IEEE N#CC1(CC(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 590341035 UXXASRCCWDCBKO-AWEZNQCLSA-N 426.336 2.412 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 609229159 UDTXIOXKCCWTRQ-IBGZPJMESA-N 446.460 2.465 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)NCCCN3C(=O)COc4ccccc43)CC2)nc1 610349852 GUPQHCHUTFYPGD-UHFFFAOYSA-N 434.500 2.037 30 10 IEEE CCOc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 610760583 WTBXPXQWVSDISY-UHFFFAOYSA-N 442.541 2.112 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCc2c(C)nn(C)c2C)C1=O 726409856 CZFRJVUWLBQNGH-SFHVURJKSA-N 447.536 2.495 30 10 IEEE C=CCn1c(-c2ccccn2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1=S 747830046 FAPZRHXGUYSQTO-QAETUUGQSA-N 443.529 2.045 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 757431778 KLEAMRHRWUAWDL-JOCHJYFZSA-N 449.507 2.002 30 10 IEEE CC#CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 762745535 GCLDYYAJHBIVRT-UHFFFAOYSA-N 440.930 2.297 30 10 IEEE COc1cccc([C@@H](CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)N2CCCC2)c1 775077264 CXGQPVPBTIHQJW-OAQYLSRUSA-N 436.512 2.145 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780854407 HPRXINOCEYOWOE-OAQYLSRUSA-N 427.526 2.077 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)cc1 783210210 HAJOTQFYVJPVGE-HZPDHXFCSA-N 440.493 2.102 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)C1 791987533 GJTMYGQCFFUGLN-QGZVFWFLSA-N 430.505 2.491 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 804026109 XRQLPSQSAWVRPE-NVXWUHKLSA-N 444.532 2.335 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 809921845 PKEDQDVXPFOCBS-FQEVSTJZSA-N 426.565 2.238 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1134246551 AOBZBDHCWJEUGR-KRWDZBQOSA-N 434.499 2.340 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 1135867317 OTDODUZEHVSRST-AWEZNQCLSA-N 445.472 2.284 30 10 IEEE C[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)N1CSCCSC1 1141514835 FZXRIPCWJKNAKR-OAHLLOKOSA-N 430.603 2.460 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3ccc(C)cc23)CC1 1152974182 PCCWLLXVKUCUHJ-UHFFFAOYSA-N 438.509 2.029 30 10 IEEE COC(=O)C1=NO[C@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)C1 1197086888 OXJNCLVBIRYINP-YEJXKQKISA-N 430.530 2.467 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 1228982454 GNNHQUGSOIXFOQ-UZLBHIALSA-N 428.508 2.049 30 10 IEEE CNC(=O)[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 1277215607 RFSRDYWHNSUYME-WIYYLYMNSA-N 438.503 2.396 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCSCC=C)c1 1286310362 USUPRDFSUNRLPR-GOSISDBHSA-N 438.557 2.205 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286335262 AFTWFTZOGFWCIH-INIZCTEOSA-N 428.562 2.165 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286354472 NQMKILUVINBXDG-UHFFFAOYSA-N 432.576 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1286431610 PZHIUHIFOCGRGS-QGZVFWFLSA-N 448.495 2.293 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CC(=O)N(CCOC)C1 1286440162 ONRKIPWHTPNUPH-SFHVURJKSA-N 432.528 2.448 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N1CCOCC1 1286458914 GMACSUNNEIKNSA-IBGZPJMESA-N 436.560 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOCC(C)C)CC1 1286490078 KZSZPMZLNGFJTN-UHFFFAOYSA-N 426.565 2.312 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1286505410 ZCVUIWCSGJKLSZ-PMACEKPBSA-N 439.585 2.434 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1286686884 DJUSJLHTRSHOFT-KRWDZBQOSA-N 445.593 2.407 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1286743218 XBHQHGVWLCMWJX-DEOSSOPVSA-N 447.543 2.057 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1286802826 AJEGRUTWIUIKMQ-FQEVSTJZSA-N 435.532 2.210 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1290568891 NDNSXAHCOHNNOO-SFHVURJKSA-N 436.553 2.061 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)c1 1291971514 GWFVSCSHHIHQHO-UHFFFAOYSA-N 446.550 2.054 30 10 IEEE CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1Cc1ccc(C#N)o1 1292951233 GNVCMRMRGLAVJW-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)SC)c1 1300336296 CICPOLVCFNDXSS-INIZCTEOSA-N 440.573 2.208 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300384784 VJGZMBDNVUSYNA-JTDSTZFVSA-N 449.552 2.407 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300489383 NDLHJYKYVGBGEQ-MAUKXSAKSA-N 435.981 2.175 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300498365 JNEMHOJHXSIXDL-MAUKXSAKSA-N 436.578 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)CC(C)C)c1 1300532453 VYCUQJFYOITEJP-FQEVSTJZSA-N 432.528 2.335 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CC(OCC)C1 1300561381 PGUHENXWFBWOIQ-UHFFFAOYSA-N 446.349 2.429 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H](OC)C(F)(F)F)CC1 1300703946 WQMATJWKXBEXBF-INIZCTEOSA-N 442.511 2.356 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)c2c(C)noc2C)CC1 1300706401 LCRWGBMVOHNJLF-INIZCTEOSA-N 436.564 2.303 30 10 IEEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1 1300722095 UQOFIKZKXIHCOH-GTPINHCMSA-N 438.598 2.224 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)NCC)CCC1 1300819408 PTJUYVLACOJMDF-NPPFBWRTSA-N 429.565 2.301 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1300894202 BGAWIDDTLDDREA-GOSISDBHSA-N 427.461 2.260 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)OC)CC1 1300895459 SGTVOZDVPOOBGQ-FYQPLNBISA-N 448.564 2.373 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1300999555 DPWJNBXAKAHTRF-UHFFFAOYSA-N 428.537 2.220 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)OC)C1 1301554497 HWBIQDZYLYGUFY-INIZCTEOSA-N 438.532 2.398 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC(F)F 1301956628 LNILBMKSOPUQIM-ZDUSSCGKSA-N 427.477 2.226 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306195591 FEWWEPFCNLTZOG-QURGRASLSA-N 435.532 2.002 30 10 IEEE CCCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1306750841 HXXIOMFHEPURDX-UHFFFAOYSA-N 446.577 2.105 30 10 IEEE CCN(Cc1ccc(OC)cc1OC)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1313737601 IFCYAVFNHCVUPA-QZQOTICOSA-N 440.504 2.157 30 10 IEEE CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F 1313816122 SNOZOLBQIJKZRV-CVEARBPZSA-N 430.475 2.175 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1nc(C)cs1 1316097648 GDODXVSDLQLHEE-HNNXBMFYSA-N 431.566 2.449 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1316168178 BIZSGYQCDKJWHV-RTBURBONSA-N 434.585 2.100 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1C[C@@H]1C 1316205490 PRRJQPDCOQQUFS-YQVWRLOYSA-N 425.537 2.251 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1316235731 QDHOXPCCDLEMMD-IBGZPJMESA-N 436.520 2.118 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CN3CCCCS3(=O)=O)c2)c1 1349491574 KKXXMAANFPZSGF-UHFFFAOYSA-N 426.494 2.237 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1358917555 UTIBVVNDVUCQHQ-UHFFFAOYSA-N 448.527 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCC2(C1)OCCO2 1358983045 SZWSQIUPUMUCLA-IBGZPJMESA-N 436.512 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(SC)CCOCC2)CC1 1359044878 QTHSUKHVORRXHD-UHFFFAOYSA-N 431.606 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359046775 FMQIKOWQPNCRNP-FQEVSTJZSA-N 426.609 2.317 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359094059 WQJYQUWGXSWFFO-QRICJDHISA-N 444.624 2.194 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1359134967 MXMZDTXAYUMOFO-UHFFFAOYSA-N 440.592 2.405 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)c2ccccc2)CC1 1359173878 QPXMOYBORUISFC-QGZVFWFLSA-N 432.594 2.427 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1359309563 WNRWFEZOBYCVPB-UHFFFAOYSA-N 448.527 2.424 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1360405774 BZOMCILGAYIWEU-VQTJNVASSA-N 438.532 2.401 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]2C[C@H]21 1448845357 MTBKUYJSEHIVMW-PXTPFGJHSA-N 438.528 2.325 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1449741155 KLAOOINZERPCKN-NQIIRXRSSA-N 444.963 2.500 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)C2)c(F)c1 1452523939 HNAWWHGBYQKXRJ-GJZGRUSLSA-N 426.414 2.441 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](Nc1cc(C#N)c(Br)cn1)CCS2(=O)=O 1458682221 OJHKJEIQOVWGTA-BWBHSNQOSA-N 428.308 2.027 30 10 IEEE C#CCN1CCN(C(=O)CN2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)CC1 1460735907 ZQKIFBLGDAGOLF-IBGZPJMESA-N 426.561 2.282 30 10 IEEE C[C@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1460865906 GSJVAYUGPHIRHY-DENIHFKCSA-N 430.549 2.179 30 10 IEEE C=CC[C@]1(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CCCN1C(=O)OC(C)(C)C 1463429555 NRUJFNBVHSUEJR-OAQYLSRUSA-N 442.578 2.138 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1463592011 WOOHNJOPDHBKGK-UHFFFAOYSA-N 432.311 2.334 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1463927659 WXIOPPXWJXUWCF-NHYWBVRUSA-N 437.345 2.330 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1(F)F 1466735660 CSZPWTKAURVYEB-YIYPIFLZSA-N 444.479 2.268 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1503830953 NJEUSXBINUECSS-OAQYLSRUSA-N 446.577 2.007 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507564087 MQRCYVALOWQHIR-UXHICEINSA-N 442.608 2.155 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1507606709 VEAKMHUMWUAAHV-YJYMSZOUSA-N 435.322 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CC)CC2)CC1 1507736074 KVPRJEGBZTZNLM-DEOSSOPVSA-N 443.592 2.475 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1507750021 GEAJQRUFQUMNPZ-UHFFFAOYSA-N 425.562 2.269 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1508098249 NWWZICIFGNMSFQ-WPZFAOBCSA-N 431.562 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1508131507 NIJTZUAWZPHJRH-UOVPBQLFSA-N 435.594 2.032 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCc2cccnc21 1510171572 ACEUNOALZJNXIQ-YJBOKZPZSA-N 443.577 2.143 30 10 IEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)c(N2CCOCC2)c1 1510861609 HINZLMASSIYJMU-SFHVURJKSA-N 439.564 2.206 30 10 IEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1514702032 MZECSRZSNKUSPS-BGYRXZFFSA-N 426.521 2.022 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1516934822 WXKRQHRCOHFKDW-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1519035279 HFDZZYREHDEETH-ZWKOTPCHSA-N 427.461 2.269 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539211199 JDGWDLAFKRJJBA-CYBMUJFWSA-N 428.436 2.143 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539220712 UXWMMMGFSPSRNI-NRFANRHFSA-N 443.617 2.235 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539912127 DGAQQMHSKPWMHP-KRWDZBQOSA-N 438.536 2.104 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(N)=O)c1 1540187233 MIRCFBKDDNBFSL-IBGZPJMESA-N 434.500 2.205 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C#N 1540870463 NZQOBISFKNQWMP-MRXNPFEDSA-N 445.568 2.291 30 10 IEEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1541249760 WMQNKKPOXMVYHO-QGZVFWFLSA-N 448.568 2.487 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 1556201002 LNXZNQJCMIZCEK-GOSISDBHSA-N 445.516 2.144 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C 1557082210 ORPXPZDWHMTWFR-ZIAGYGMSSA-N 440.338 2.012 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1557241963 XALBKYYCGMRFJA-LJQANCHMSA-N 428.514 2.091 30 10 IEEE N#C[C@]1(C(=O)N2CCN(c3ncc(I)cn3)CC2)C[C@H]2CC[C@H]1C2 1557851877 OPYUVODWCOCNSJ-GDZNZVCISA-N 437.285 2.060 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 1558114287 SVKMNEAFRQHDON-QZTJIDSGSA-N 442.459 2.415 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1558865308 DBFBVGBIGZXGKN-KOSHJBKYSA-N 448.519 2.479 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 1568991960 BKGPVBYBAKWSCG-MRXNPFEDSA-N 432.521 2.351 30 10 IEEE COc1c(N)c(C(=O)N(CCC#N)CCN2CCOCC2)cc(Cl)c1Br 1583777599 NKVADABHZKLKNU-UHFFFAOYSA-N 445.745 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1584012695 MPWJPBYMGJMYIQ-HXOBKFHXSA-N 442.516 2.053 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)s1 1587207657 JPFDYHYAKIIWRI-GOSISDBHSA-N 433.599 2.488 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC=C 1587555938 KYZSXOUQFGAFSW-KRWDZBQOSA-N 429.546 2.206 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N2CCCC2=O)c1 1588079431 XDRGSEGSKCFVOE-UHFFFAOYSA-N 446.555 2.444 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1588388294 ZXPBRHNMBMBAPP-FOIQADDNSA-N 436.965 2.201 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC(F)(F)C2)CC1 1588923741 KWGLUJIYYPLTLM-OAHLLOKOSA-N 429.475 2.136 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1589663547 OISOOUWHYUOLSZ-QGZVFWFLSA-N 439.607 2.432 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1593621200 ORMJSNRIBJSDKW-UHFFFAOYSA-N 425.459 2.402 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1594070989 UXQVTUIGMCONAF-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1594797534 BTPHOFWMSJMKTE-UHFFFAOYSA-N 438.576 2.282 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](F)COC 1595100815 UFCYUCJZGPMZPJ-RTBURBONSA-N 447.536 2.229 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1595545262 UCANIURHQYBHIL-UXHICEINSA-N 441.532 2.106 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1595614202 PQSMEWFDBGMCQH-UWJYYQICSA-N 445.520 2.235 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2C)C1 1595674071 MDMQSBSAISQEPZ-IEBWSBKVSA-N 433.578 2.335 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC2CC2)CC1 1595765576 DMFZELBKPZTHAH-UHFFFAOYSA-N 445.589 2.087 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@]2(C#N)CC3CCC2CC3)C1 1597575795 BWXKZGFSAPDKDS-ABLAWYLBSA-N 439.578 2.247 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)CC2)o1 1611355876 BNJIZRPDDBSMGS-IRXDYDNUSA-N 429.521 2.300 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1611815784 NXMPACKYJUFJMX-ZHRRBRCNSA-N 439.520 2.081 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)c1 1619330831 POSKQKUGUSDMNN-LJQANCHMSA-N 438.532 2.351 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(Cc2cccc(Br)c2)C1 1631160938 IGOFUSRWBFPIER-UHFFFAOYSA-N 448.342 2.189 30 10 IEEE Cn1c(C(F)(F)F)nc2cncc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c21 1632533394 WBACDWLCTLJVRT-GXFFZTMASA-N 438.410 2.476 30 10 IEEE CC(C)c1cc([C@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 1633886798 HPPQKALUHMYXGP-HNNXBMFYSA-N 429.546 2.368 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1633911122 PBZFDLQLRNMXEO-IBGZPJMESA-N 448.520 2.187 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3CN3CCCC3=O)ccc2c1=O 1635585684 DXTOWDWSSDXEOU-INIZCTEOSA-N 426.542 2.488 30 10 IEEE C#C[C@@H](NC(=O)NCC(=O)NCCN1CCCCCC1)c1ccc(Br)cc1 1636563124 SUAPCVYAGPXHLH-GOSISDBHSA-N 435.366 2.415 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1637579373 BNLFZOJDGZEKTE-MRXNPFEDSA-N 430.567 2.042 30 10 IEEE C#CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)CC1 1638678231 DNPSKWRKPDMHFG-IBGZPJMESA-N 447.377 2.337 30 10 IEEE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cn1cnc(C#N)cc1=O 1641229660 ACLABLVCNVVIPV-UHFFFAOYSA-N 433.424 2.023 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCn3c(Cc4ccccc4F)nnc3C2)c1 1646920554 FKMZBMZQFPEZSI-UHFFFAOYSA-N 425.489 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(CC(=O)NCc1cccc(C#N)c1)CCO2 1656347234 CQWBIZXMEZDIEQ-UHFFFAOYSA-N 428.533 2.276 30 10 IEEE C#CCOc1ccccc1CNC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1670365482 CUBGRENQHQDWEO-UHFFFAOYSA-N 443.525 2.264 30 10 IEEE C#C[C@H](NC(=O)NCC1(N2CCOCC2)CCOCC1)c1ccc(Br)cc1 1683210311 LOCXZJBHEMGBJQ-SFHVURJKSA-N 436.350 2.304 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689983473 CDSAHUPDLVJGDI-AZUAARDMSA-N 442.541 2.273 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1690104848 KPCVXTYUYCRKFJ-NZQKXSOJSA-N 425.533 2.078 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690177484 XGEGGRVCRWZXEI-KRWDZBQOSA-N 427.574 2.301 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690237810 AWVVDEQITQMYER-OFNKIYASSA-N 439.560 2.468 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690466830 CJQITDWVYPMCDL-OAHLLOKOSA-N 442.486 2.262 30 10 IEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690625946 ILZWVTXXRHLGQF-MRXNPFEDSA-N 436.557 2.112 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C[C@H]1CCCO1 1690662114 ROHJVZOQGAFPSV-CQSZACIVSA-N 437.342 2.343 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1693080176 HVEQSERDXLLKPP-VZCXRCSSSA-N 435.488 2.348 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1695604959 DVRANEFYYFHVLK-DLBZAZTESA-N 432.594 2.416 30 10 IEEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1696397772 HFBSUBVXVASWPK-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1696429031 GVPPHZYMOSSOPD-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(=O)NCC)CC1 1705526657 NGTDILVDRXVSEE-UHFFFAOYSA-N 446.502 2.218 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705535195 DRJMCTUQBOSACR-UHFFFAOYSA-N 438.551 2.166 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1705598406 JCVBPCZRLKYVAG-IBGZPJMESA-N 426.542 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1705600597 FPZPGZGRXDYWSG-UHFFFAOYSA-N 442.564 2.167 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705737635 WQENQMDVLLWNBX-QGZVFWFLSA-N 434.610 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1705933893 UYPWGDYLBRGWNO-HXUWFJFHSA-N 449.508 2.005 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(N(C)C)c2)CCOC1 1706678103 BSVMEHAVQJBKIV-NZQKXSOJSA-N 440.548 2.162 30 10 IEEE CCN1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1710244004 CYHRGQUOVQMBEH-QGZVFWFLSA-N 427.578 2.494 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cnnn1 1722282154 LXTJWKQSLXMCPS-LBPRGKRZSA-N 433.289 2.381 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722339937 HHWRLCPDEAXBSU-QGZVFWFLSA-N 449.552 2.175 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722360912 KHGUYVAKFPLFLW-UXHICEINSA-N 443.573 2.316 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2C)CC1)[C@H]1CCS(=O)(=O)C1 1722370854 RBQYKIVFRGTRMQ-IBGZPJMESA-N 442.585 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1722446949 DUKROBFIALWCPI-RTWAWAEBSA-N 442.608 2.012 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1722471027 ZPFLHDZUGOJHQU-GAJHUEQPSA-N 435.507 2.154 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)s2)CC1 1722565858 DLFLQUYMHVMPAG-KRWDZBQOSA-N 437.591 2.186 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCOCC2)CC1 1722582257 NEPQEJFXRGQSPW-KRWDZBQOSA-N 440.635 2.495 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1)C1CC1 1722645591 RWKKQUAKDLOXBV-UHFFFAOYSA-N 441.561 2.132 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722698398 FZDGWUPTFBBVGO-QZTJIDSGSA-N 442.539 2.329 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CC1 1722726220 ZCYCVKGHOQATHE-UHFFFAOYSA-N 437.953 2.061 30 10 IEEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1723866821 HFEDJLUCZRHERR-PXNSSMCTSA-N 442.589 2.172 30 10 IEEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCOCC1 1727345061 DJERTNAQBSCZIV-INIZCTEOSA-N 438.598 2.225 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1730688450 YULHTBJJQIEFOE-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1740539362 OTSPYJPYTAZCDC-CYBMUJFWSA-N 440.367 2.057 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740594869 YQJBJMAEKUTECK-LJQANCHMSA-N 449.559 2.372 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(COC)CCCC2)CC1 1740698749 NCRMGGCOXRZWLR-UHFFFAOYSA-N 439.608 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCOCC(F)F)CC1 1740706859 GEEHIWVHXAGBAD-UHFFFAOYSA-N 445.514 2.425 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCc2ccco2)CC1 1740827840 MMCFVTJUEYQBCB-UHFFFAOYSA-N 440.529 2.335 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)CC1 1740839120 GOEOGBAVPCVGLM-QGZVFWFLSA-N 432.546 2.345 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740868547 NCKQADORVOQTCK-KRWDZBQOSA-N 435.598 2.276 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740888863 JTHSNOHGKQPUCP-XLAORIBOSA-N 425.599 2.496 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1740899907 JPUFKDCPRXUPBY-NQIIRXRSSA-N 426.565 2.439 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1740952712 LSWCBAOLGUDFDO-UHFFFAOYSA-N 447.543 2.196 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC2(CCC2)C[C@H]1CC 1740994385 NIXMNGMIWZTFRP-QGZVFWFLSA-N 435.594 2.160 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1748718085 NPQYJCGCWCRYOE-LJQANCHMSA-N 427.574 2.310 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1748756893 ZSAIULSYKDAOLP-UHFFFAOYSA-N 433.516 2.373 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCCOC 1748787893 KSDJUROCNZXJLR-LJQANCHMSA-N 448.612 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OC)c1OC 1748855922 MBVNZFJBCSOTMJ-UHFFFAOYSA-N 449.536 2.408 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN(CC)CCC(F)(F)F)CC1 1748984043 JQWFMTAJMGQYIJ-UHFFFAOYSA-N 435.498 2.370 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOc2ccc(OC)cc2)CC1 1748993788 LYSREVADGYZHBY-UHFFFAOYSA-N 446.555 2.497 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nc(C)c(C)s2)CC1 1749017108 WQLHNFFWHROWPW-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)OC 1749327067 IAYFSLPLYJDWOA-GHTZIAJQSA-N 435.532 2.281 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749358060 BRBCKXMBENFSKM-QGZVFWFLSA-N 440.596 2.070 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749420870 GSIPTQPAKDVKTK-WIYYLYMNSA-N 440.596 2.024 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1760125550 QWQMUEHTUWMUEC-CABCVRRESA-N 442.545 2.025 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC[C@H](C)C1 1760243106 CDIGQJXFYKBJCV-IBGZPJMESA-N 430.597 2.111 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1760450137 FALARCHJOCBZIW-IRXDYDNUSA-N 428.624 2.351 30 10 IEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760507586 QCUSXTZSIGEKCX-CYBMUJFWSA-N 447.337 2.458 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCN(CC)CC2)C1 1760545547 WIUKFYRXUOWZNE-NRFANRHFSA-N 439.608 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760554914 QTGOXUZJGAWAMJ-UHFFFAOYSA-N 437.610 2.060 30 10 IEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncn(C)n2)cc1 1761087979 DGPNOQSFDBRGOC-LJQANCHMSA-N 436.520 2.276 30 10 IEEE CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1762162644 FPSDPTOZRXGYIP-XLIONFOSSA-N 428.585 2.411 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1762284417 ZFOSESBNNSVNCC-WUKNDPDISA-N 449.487 2.006 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1768540659 UHKNILDBMJKYHL-RWNPKEDZSA-N 449.540 2.285 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1769123092 XCALAOXDPOAPFN-WMZOPIPTSA-N 438.532 2.178 30 10 IEEE C=CCN(C(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1)[C@@H]1CCN(C)C1=O 1849035715 UGAPASHIEBPPMY-JOCHJYFZSA-N 438.572 2.246 30 10 IEEE C=CCN(C(=O)c1cn([C@H]2CCCN(C(=O)C(F)(F)F)C2)nn1)c1ccc(C#N)cn1 1849736711 UTSLFSSAJKMWIC-AWEZNQCLSA-N 433.394 2.103 30 10 IEEE COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(CC#N)CC2)c2ccccn2)cc1 1851534900 BLNRBZNALIZUPF-UHFFFAOYSA-N 428.514 2.438 30 10 IEEE CC(=O)N1CCN(CC(=O)N(CCc2ccccc2)c2snc(Cl)c2C#N)CC1 1852037322 MXXANDMQVYTYHA-UHFFFAOYSA-N 431.949 2.408 30 10 IEEE C=CCC1(S(=O)(=O)N(CCn2ccc3ccn(C)c3c2=O)Cc2cnn(C)c2C)CC1 1853545175 NQUPPTVSGHCVDW-UHFFFAOYSA-N 443.573 2.323 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 1854451588 NCXAMYWCXRXPEP-UHFFFAOYSA-N 432.889 2.059 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cn(C)nc2C)CC1 1855572493 FQYIVBQJVXATPO-UHFFFAOYSA-N 428.514 2.189 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cccc(O)c2)cc1F 1862638816 KUJPZVFPRMSSNN-IBGZPJMESA-N 428.416 2.254 30 10 IEEE C[C@@H]1CN(C(=O)[C@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869929640 JXVLXKPWFWRCQG-CLCXKQKWSA-N 445.516 2.111 30 10 IEEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870417855 KWQVHGIRJCITLU-UHFFFAOYSA-N 433.549 2.201 30 10 IEEE CCCOC(=O)c1ccc(CN2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1872724500 IUBMIQCDLXOMMP-UHFFFAOYSA-N 442.541 2.432 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1C(=O)CSC1=O)n2CC=C 1873596424 WEFBBVVFHYGOHK-UHFFFAOYSA-N 440.529 2.221 30 10 IEEE CCCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCCO)cc1OC 1874435932 FCCACSGTKQQUKJ-LPYMAVHISA-N 435.550 2.458 30 10 IEEE CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C1 1890090320 MOZOEWNSISQLPR-HMXCVIKNSA-N 428.558 2.079 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2011760182 UDGPYXAIIKMJCD-MRXNPFEDSA-N 439.553 2.286 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 2054341033 JJMVMBNUHYCDCO-NSHDSACASA-N 427.242 2.335 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2124532004 HWSAFPJFGVEQSK-CHWSQXEVSA-N 447.345 2.004 30 10 IEEE C#CCN1CC[C@H](NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1 2248465405 OXYUWQLRBMETBQ-FQEVSTJZSA-N 427.545 2.264 30 10 IEEE COC(=O)[C@H](CCNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2254803897 VHFBYCPJPFVNDW-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255618792 JVEPUPDKPJVLFD-OAQYLSRUSA-N 434.346 2.086 30 10 IEEE Cn1nc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2255624668 GRHFFTZTYHKQTN-LJQANCHMSA-N 425.338 2.133 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255627360 RNPBMQOUVRCLJM-KBPBESRZSA-N 434.346 2.084 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2255828829 HGVPAYKKSQCOKU-GJZGRUSLSA-N 432.326 2.482 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)cc2)OC1(C)C 2255950310 LBYWXNQKKASOPO-UHFFFAOYSA-N 444.362 2.080 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256620274 GSNHFJDGBXHQPL-LRDDRELGSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)n1 2267097126 MXEQPKWLKVEIKJ-KGLIPLIRSA-N 448.329 2.305 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267187683 BKLBCHZEOUDTNX-WOJBJXKFSA-N 438.333 2.304 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C 2267266160 NHRRKZOYHDVNLJ-QILLFSRXSA-N 445.369 2.310 30 10 IEEE CN(C[C@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267271425 RSUGDWZQDSSPIL-GOSISDBHSA-N 448.369 2.286 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(Cc2ccccc2)C1 2267504375 RDNFWTRKAYKGJG-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCC1 2267609439 QERUXAUSTIMLCC-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c1OC 2330785587 NFUXDXOBNJZURJ-UHFFFAOYSA-N 449.533 2.105 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)ccc1OC 2331571371 ZOLPHOAQCWMKKZ-UHFFFAOYSA-N 445.501 2.325 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)n1 2337032473 RAVXYZCOZMDOIL-INIZCTEOSA-N 447.341 2.200 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@H](CCO)COCc3ccccc3)c(O)c2)OC1(C)C 2343486449 LVMWCIZVRPFOFY-LJQANCHMSA-N 441.333 2.389 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)cn1 20921048 QOAYIKKCNQJTOS-ZVBGSRNCSA-N 442.553 2.012 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1O 21319082 FNQZVFSEYDOGFJ-GZIVZEMBSA-N 449.443 2.161 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCOc3ccc(Cl)cc3)cc2C1=O 27566917 VSKCMIHUNYICDB-UHFFFAOYSA-N 442.855 2.474 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)c1C 59829826 KBIWWQFLTSISKH-SRZZPIQSSA-N 425.522 2.168 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1C 59829850 KWGPEWZDQIOZNV-LSHDLFTRSA-N 443.512 2.307 30 10 IEEE C=CCc1ccc(OCC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c(OC)c1 109009912 DZYZQAKXEKJILI-IBGZPJMESA-N 427.423 2.492 30 10 IEEE CC1(C)O[C@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 118927456 JWPZLQJLMNKVAZ-HRGFCEOQSA-N 432.488 2.195 30 10 IEEE O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254819319 HLQVODBTNRTSEF-MAUKXSAKSA-N 446.506 2.096 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 426507038 IIUMAPUUBMMOQS-SFHVURJKSA-N 432.546 2.066 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 460856525 MJTINAHUHDSMIT-IBGZPJMESA-N 433.578 2.460 30 10 IEEE COC(=O)[C@](C)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 463439404 ASGBDWDKFAROOA-PGRDOPGGSA-N 444.532 2.274 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3C[C@H]3c3cnn(-c4ccccc4)c3)CC2)c1C#N 475300728 ZIUJPBUEQNWRCK-PZJWPPBQSA-N 430.516 2.174 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)CC3(C#N)CCC3)C2)cc1 477520603 OULIHDCWPJNRIW-KRWDZBQOSA-N 425.576 2.009 30 10 IEEE COc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CN(CC(C)C)CCO1 479941866 QXBZPSTXVAFIDK-HNNXBMFYSA-N 440.338 2.181 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N=c3nc(-c4ccsc4)[nH]s3)C2=O)cc1 504957544 OIMIZAJPPDOFBG-CQSZACIVSA-N 438.494 2.404 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 555171139 UMWXGGUALKTLOT-GOEBONIOSA-N 441.509 2.115 30 10 IEEE C=CCN(CC=C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2nnc(C)s2)c1 560801126 FXLFPYSCDSSWEH-UHFFFAOYSA-N 428.561 2.034 30 10 IEEE N#CC1(CS(=O)(=O)NCC(=O)Nc2ccc(I)cc2)CCCC1 565906993 OWJGJPSWDTUWGP-UHFFFAOYSA-N 447.298 2.233 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCOC3)CC2)cc1 573306310 FAUVPGFMHNZDJR-JOCHJYFZSA-N 443.555 2.494 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C#N)C1CCCCC1 583344896 HDRIHPOAMDTKOZ-FQEVSTJZSA-N 448.589 2.224 30 10 IEEE Cc1c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)nnn1-c1cccc2c1CCN(C)C2 613119214 JBKNWUAEBUJOFJ-UHFFFAOYSA-N 439.483 2.268 30 10 IEEE COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 619569776 NNPDJWJTBNBTLM-SFHVURJKSA-N 439.903 2.378 30 10 IEEE C#CCN(C)C(=O)c1cc(I)cc(I)c1O 700589401 AMQDWDVASMQJEX-UHFFFAOYSA-N 441.006 2.307 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729331027 MCXQBIMRABVOJF-LJQANCHMSA-N 446.550 2.058 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(C#N)cc1 740199906 CJXWYSXFYCTCRS-LJQANCHMSA-N 428.466 2.342 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1nnnn1C1CC1 742211960 DYOSNTWCECVFJR-INIZCTEOSA-N 425.518 2.117 30 10 IEEE COc1ccc(Cl)c(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)c1 743728818 YLLFMFBOXLLUAI-UHFFFAOYSA-N 433.880 2.235 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(S(C)(=O)=O)ccc2N)cc1 750413723 DFOLMHBUVYBPNL-OAHLLOKOSA-N 429.498 2.473 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 755310612 NDQOWLNOEIFBOD-CJNGLKHVSA-N 440.363 2.058 30 10 IEEE N#CCN(CC#N)C(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757249286 VXSVYDMTAYHQBD-FQEVSTJZSA-N 432.436 2.244 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC[C@H]2COc3ccccc3O2)cn1 764877938 HQEWDGVYRICKJW-MAUKXSAKSA-N 443.529 2.201 30 10 IEEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765545882 YGCQLWYCTKHHEX-LJQANCHMSA-N 442.589 2.182 30 10 IEEE N#Cc1cccc(Cc2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)c1 771086527 DLSCJBYEVMKFSS-UHFFFAOYSA-N 432.440 2.332 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2OCC#N)C1=O 771424722 GGWLGGQFOLLRRT-JOCHJYFZSA-N 440.431 2.451 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@H](O)C(F)(F)F)c1 789052306 QONANHUXTKXMPF-UJLHSTPFSA-N 436.456 2.324 30 10 IEEE O=C(/C=C\c1cnnn1Cc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 792882279 DUELDOQMAYBDEL-KTKRTIGZSA-N 438.509 2.243 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 797685087 RKBNBHSPJHFJMH-GFCCVEGCSA-N 430.280 2.320 30 10 IEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 800787231 UUGWVPCDIXXQIH-YJBOKZPZSA-N 429.956 2.168 30 10 IEEE COCCn1c(CN2CCN(Cc3ccccc3Cl)CC2)nnc1N(C)C[C@@H](C)C#N 802400815 AENQGZOKICVDMZ-SFHVURJKSA-N 445.999 2.492 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 804766475 IMRAKIFLQZOZBA-IBGZPJMESA-N 426.542 2.314 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1)C(C)(C)C 805146787 LVJDLMQUQIIRCV-ZDUSSCGKSA-N 435.283 2.404 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)c2)s1 807245116 CRIHAURMXBWDJV-SFHVURJKSA-N 438.553 2.084 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)c1ccc(F)cc1 812962545 PALWIZDOZTXDQK-SFHVURJKSA-N 437.431 2.202 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)nnc1-c1ccco1 1129105402 QQKSTPBUZOPMDA-HNNXBMFYSA-N 436.559 2.242 30 10 IEEE COc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)cc1OC 1134645754 UQONKDDULICHGR-VBKZILBWSA-N 447.538 2.146 30 10 IEEE COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCCNc1ncccc1C#N 1136423953 DNFLPXUFBQGQDO-DYESRHJHSA-N 432.484 2.453 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)s1 1137972769 FTYFQIHTDVIVLY-HNNXBMFYSA-N 432.926 2.397 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1 1154191647 YWCFWUQQMFEBSX-GOSISDBHSA-N 438.546 2.030 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c1 1155192571 HQHVNXKWQODFFE-CQSZACIVSA-N 440.447 2.130 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1155815431 FOVNJDIMDRKKGN-QFIPXVFZSA-N 443.525 2.100 30 10 IEEE COc1ccccc1-c1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 1159003356 IEMSOMOWOUHVMQ-LBPRGKRZSA-N 443.510 2.391 30 10 IEEE Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1NC(=O)c1ccccc1F 1161866364 OVWZVFNMMABASB-OYHNWAKOSA-N 441.484 2.397 30 10 IEEE COC(=O)C1=NO[C@]2(CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)C2)C1 1175503918 SWJZDWZWCDCZLS-XMMPIXPASA-N 449.511 2.357 30 10 IEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1=O 1189986600 AXHMXMRGYWDZBY-KRWDZBQOSA-N 447.392 2.287 30 10 IEEE CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccc(Br)c(C#N)c1)CC2 1209998569 FFDWXUILEONFKJ-HOTGVXAUSA-N 429.336 2.261 30 10 IEEE C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1213334166 REDPUIGTGILEEI-UHFFFAOYSA-N 430.592 2.287 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286325712 YZWVAXIQEMFOPJ-FQEVSTJZSA-N 429.565 2.398 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286351326 PNKIUJIKEORQET-UHFFFAOYSA-N 432.576 2.475 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393675 RMWSCOJTUSHUAM-DFQSSKMNSA-N 434.606 2.453 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1CF 1286466523 HPULACOWVRNXGT-GVDBMIGSSA-N 437.516 2.203 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CC1 1286527638 GBLOSAJJMPJIHK-XBBWARJSSA-N 431.587 2.173 30 10 IEEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1286618971 KLQIPCFVWJMBOF-PKOBYXMFSA-N 431.562 2.313 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1286726084 AWLOEKYZJGLDKG-AWEZNQCLSA-N 445.467 2.187 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1286732558 WIIVGPNQFNBAIL-GFCCVEGCSA-N 439.611 2.240 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286774773 HRIFMBMVPOGZBN-GPJFCIFZSA-N 430.597 2.175 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286789440 GSRRYIJIHRFDAQ-GOSISDBHSA-N 445.589 2.255 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(C(C)=O)CC2)C1 1286814341 QBRONDAJAIPLCC-HBMCJLEFSA-N 447.580 2.042 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1286957799 GPODQYBJOKIMBN-SFHVURJKSA-N 445.637 2.472 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N(C)C)cc(OC)c1OC 1299836508 DQAADPYGIJIVIF-CQSZACIVSA-N 430.509 2.045 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1300320370 GDOJSUGPNJKEED-YWZLYKJASA-N 435.450 2.309 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300386034 KIXZEJAJFFDTIY-IBGZPJMESA-N 448.552 2.375 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1300590987 JGTKQTBZJDSFPK-UHFFFAOYSA-N 433.512 2.419 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C 1300626033 MYYSANWGBPXZJQ-UHFFFAOYSA-N 432.569 2.330 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2C)CC1 1300683494 OQKKVAMFTBODDP-GOSISDBHSA-N 437.523 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)F)cc2)CC1 1300695863 NCUCMSJIXWCSGP-UHFFFAOYSA-N 427.459 2.084 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301082427 HXANNSGYHRIXFD-RBUKOAKNSA-N 444.511 2.066 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1301459197 VVSZDHZLINFNBC-VAMGGRTRSA-N 430.597 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccco1 1301584753 DBBQYYQETSLTPR-CQSZACIVSA-N 447.517 2.397 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301609784 OGPHPKCWPJNSAP-QGZVFWFLSA-N 444.536 2.141 30 10 IEEE COCCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1302129602 DBCAJZVVTYXBNO-WOJBJXKFSA-N 427.505 2.322 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCc2cnn(C)c2)CCOC1 1303489933 PCTBOBGTZNOSSY-JOCHJYFZSA-N 427.553 2.425 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1303642038 UDBQCZJERGUTEH-WGLILOHCSA-N 437.479 2.273 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC=CCO1 1314226822 WWVCLPQPMRHDCZ-ZWKOTPCHSA-N 425.489 2.330 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)CC1 1315129656 HWAUWKNOVDGQFH-UHFFFAOYSA-N 430.534 2.370 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)C1 1316532726 UQAVXLZTWREPTE-GOSISDBHSA-N 435.554 2.481 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nnc2n1CCC2 1358969014 DZJXVYKPFDHUDE-GOSISDBHSA-N 445.527 2.476 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1359003153 AFZFTCQCSOTFCD-PGRDOPGGSA-N 444.557 2.146 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1ccccc1F 1359024657 SBCCQOPTVDSPPE-IBGZPJMESA-N 429.496 2.175 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(Cl)cn2)CC1 1359035128 LVBTVPSDOWOHMD-GOSISDBHSA-N 430.940 2.402 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)COc2ccccc2OC)CC1 1359036113 NHJQIFOBDSRXFB-UXHICEINSA-N 439.560 2.261 30 10 IEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1359188068 FRNGUMIWOYIXLM-SFHVURJKSA-N 438.580 2.366 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1359229831 WHHQGOXCRXKKPA-KRWDZBQOSA-N 429.496 2.400 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1359240081 FPWAFZDHIBAOJR-MJGOQNOKSA-N 449.577 2.009 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(F)c2)C1 1359320645 SZCOOCMQFMLQAW-FUHWJXTLSA-N 429.496 2.401 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)s1 1447302835 LJMRZNWJIOUXOS-NRRJATNASA-N 426.585 2.370 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1(c2cc(F)cc(C#N)c2)CC1 1452206658 UIKUCOHYDSTCKE-UHFFFAOYSA-N 446.460 2.074 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 1458024707 HCQNLBITAJQMLK-OAHLLOKOSA-N 430.555 2.188 30 10 IEEE COC[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCOCC1 1460408226 IDZOGGAQHKJHLN-NQIIRXRSSA-N 444.576 2.387 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)nn1 1461059270 VGIFLCHYDWDNKM-UHFFFAOYSA-N 441.513 2.228 30 10 IEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1461541217 FYYIQGBIIIOWSP-OAHLLOKOSA-N 433.555 2.387 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OC 1464541341 OFLXOAQMICCKNM-CYBMUJFWSA-N 434.308 2.495 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(C#N)cn1CC 1466880516 GDPFLBJYWDLBLI-SJORKVTESA-N 428.493 2.410 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CC[C@@H](N4CCN(C)CC4)CC3)n[nH]2)c1C 1467343500 APYUCLBLDIUXQG-KDURUIRLSA-N 425.581 2.364 30 10 IEEE C#C[C@H](NC(=O)N[C@@H](CO)c1ccccc1I)C1CCOCC1 1470864975 LWAOCZSMVXDEJZ-HOTGVXAUSA-N 428.270 2.052 30 10 IEEE COC(=O)[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1473830172 POUNWPWFXKLFEU-GOSISDBHSA-N 442.516 2.229 30 10 IEEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1475476628 ALUPJEBHLUYGFM-UHFFFAOYSA-N 430.368 2.462 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1501416413 KUPQRNWPZNHCKG-WOJBJXKFSA-N 449.559 2.038 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1503366629 CSWBLYNJGQUMTD-SFHVURJKSA-N 426.521 2.070 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(F)(F)F 1503954239 IHEMOJOCZNTDRF-CJNGLKHVSA-N 436.438 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1507538023 KESLLZQLIMQDML-DLBZAZTESA-N 433.553 2.304 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCn1cncn1 1507544184 SQFIZHHNQFCROB-AWEZNQCLSA-N 430.310 2.369 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1507556899 LUCDKGLVIQTWSK-IBGZPJMESA-N 444.605 2.327 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NCCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507598467 FZKQVLJKRDQBHU-XXBNENTESA-N 431.581 2.475 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1507611449 NSWRLXAKSPGOMW-INIZCTEOSA-N 428.541 2.131 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507628873 ISCTTYTZXPVDEB-SJORKVTESA-N 433.603 2.196 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634205 MGBZKNPTWBWTRQ-UXHICEINSA-N 446.548 2.060 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507693724 FVXCRHOCAASUOV-LJQANCHMSA-N 445.589 2.215 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(C)CN(C)C1=O 1507711056 ZKOVUCCPZFQINH-QHCPKHFHSA-N 434.500 2.164 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[C@H](O)C2)CC1 1507732977 WABKRVIGGOMACC-MOPGFXCFSA-N 427.524 2.303 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1507750478 WKQUDASYICOURV-GOSISDBHSA-N 437.577 2.226 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507848084 MTXZIKCIMKAHOE-QHCPKHFHSA-N 441.532 2.175 30 10 IEEE C=C1CCN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1507878669 MOGFGKOBFITSDK-UHFFFAOYSA-N 428.518 2.209 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507975313 MZWNLJABMVHIBU-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1508080588 PXZGXWZFPHIBSH-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1508132108 VBSZSMHCRZXBGU-UHFFFAOYSA-N 445.589 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1508137161 KJPOBDQBNKITKQ-GOSISDBHSA-N 446.621 2.195 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508390738 XPPXDDFNCZSCBR-QGZVFWFLSA-N 437.548 2.036 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1509951154 FNXYWJYTBIDMED-HIFRSBDPSA-N 427.475 2.242 30 10 IEEE Cc1nccn1CCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1511607415 GTOAUMONIPSZMG-KNQAVFIVSA-N 443.552 2.033 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1519102618 PVEFAYVEIFVXII-KNQAVFIVSA-N 427.505 2.149 30 10 IEEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 1522422147 ROZHONAQQLOUIZ-IBGZPJMESA-N 426.517 2.482 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H](CNC(C)=O)CC(C)C)c1 1526860487 QNLQEYVTFQLEML-NRFANRHFSA-N 427.545 2.048 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 1531731377 CKEZEDRZZUXIPD-HNNXBMFYSA-N 430.530 2.265 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)[C@H](C)COC 1531886363 AZSAFCAQGAPDFT-YJYMSZOUSA-N 438.322 2.266 30 10 IEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C(=O)OC 1535098524 SMVNUNUVQHKNBJ-IBGZPJMESA-N 438.546 2.110 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 1538932967 GWDNWJVFMQKPRZ-OAHLLOKOSA-N 432.571 2.322 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 1539229925 ADDDKNQMKDFIQC-SFHVURJKSA-N 442.541 2.430 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC(F)F 1539308018 ZWOZFQVDUAZHDK-UHFFFAOYSA-N 426.431 2.013 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(C)C)CC1 1539436131 KKKJVGBEPVZBMT-UHFFFAOYSA-N 432.931 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](NC(C)=O)C1 1539614661 BBGMYIYEBRQELC-IHPCNDPISA-N 446.596 2.283 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)(F)F 1539617769 YPJBGNDFVLAALN-RDBSUJKOSA-N 439.504 2.258 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CCN(C)C2=O)CC1 1539721418 ATFNZMZCSXJQAP-UHFFFAOYSA-N 446.596 2.238 30 10 IEEE CN(C)C(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1552712578 FCOXOJMOVFMPMG-CALCHBBNSA-N 445.568 2.267 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1554517446 MYIIDBKCDUNWBG-UXHICEINSA-N 439.516 2.402 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1568507355 BRCZMHLRZGZNRU-GLDPYIMESA-N 438.528 2.422 30 10 IEEE C=CC[C@@]1(C(=O)NCC2(N3CCOCC3)CCOCC2)CCCN1C(=O)OC(C)(C)C 1584532361 PMAMIGAFAHQFGE-QHCPKHFHSA-N 437.581 2.330 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(C)cc1OCC(F)(F)F)c1cc[nH]n1 1588076992 BGPPUOBOLCXNQJ-UHFFFAOYSA-N 442.394 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](OC)C(F)(F)F 1588174231 UDHSQAQRSCPPMD-OAHLLOKOSA-N 434.422 2.356 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC[C@H](CO)O1 1588189477 KTLIJOYUQICDOR-VQTJNVASSA-N 430.512 2.338 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1588673053 LLSGDEQSIGALKO-MSOLQXFVSA-N 437.544 2.419 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1588813410 XNJBKNBZEYWECM-ACRUOGEOSA-N 444.624 2.163 30 10 IEEE CC(C)N(C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1607950633 CKBBOTAJMOYVHQ-UHFFFAOYSA-N 445.575 2.197 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)c1 1612247705 BSSSNDFZTFDUDC-HXUWFJFHSA-N 433.516 2.404 30 10 IEEE COCCCn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619852853 YXPSIUMTQZRWHO-UHFFFAOYSA-N 426.569 2.288 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCCCCN2CCCC2)CCO1 1620354869 LZDODFYXRXACRC-FQEVSTJZSA-N 443.596 2.289 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CCCS1(=O)=O 1624178256 IXRSGWFBVUJLMJ-FUHWJXTLSA-N 433.530 2.086 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1627015781 ZYIHJBAHZOUCOD-SFHVURJKSA-N 442.560 2.170 30 10 IEEE O=C(Nc1ccc(C(=O)N[C@H]2CCN(O)C2=O)c(O)c1)c1cccc(Br)c1 1628370151 JGUZPEUNYOZNDM-AWEZNQCLSA-N 434.246 2.127 30 10 IEEE Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)CCn1cc(C#N)c(O)nc1=O 1628682128 GUZDBOIMPANKNY-UHFFFAOYSA-N 443.261 2.012 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1 1629959969 VTWLWZLSVXQHCS-UHFFFAOYSA-N 445.472 2.319 30 10 IEEE N#Cc1csc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 1636259526 REXIWTGIUBEZOF-OAQYLSRUSA-N 445.504 2.144 30 10 IEEE C[C@H](O)[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 1637369082 LPQMCPXUBWGXKQ-JQHSSLGASA-N 433.505 2.183 30 10 IEEE CCN1CCC(N2CCCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)CC1 1643045859 JQXAXGOXCOZGHF-UHFFFAOYSA-N 446.617 2.396 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](OC)CC[C@@H]3C)nnc12 1651185559 CSZIEXCEPBQAAH-GJZGRUSLSA-N 427.530 2.348 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(Br)cc1 1659327647 JRKZAZHHDSFUTP-CQSZACIVSA-N 425.308 2.186 30 10 IEEE Cc1ccc([C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)N2CCOCC2)o1 1666148531 GKLWVPGAYUUZGW-SFHVURJKSA-N 429.546 2.426 30 10 IEEE CN(CCNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1cccs1 1680556402 SGHZEGQZJHTUGO-QGZVFWFLSA-N 434.543 2.023 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 1684781653 QFLQZBIOCZPGLW-ZIAGYGMSSA-N 446.451 2.343 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1689916376 IFCLTFBLJXGXDH-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690299421 QVNGKTRMWOAFHV-HOTGVXAUSA-N 447.565 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1690661900 KLURBLOVROHZTC-HNNXBMFYSA-N 449.458 2.238 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1690670786 IVXSHZGODXTKOV-IRXDYDNUSA-N 431.562 2.331 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nccnc2C)C1 1690688353 UCRKVZSTHNJGDB-WMZHIEFXSA-N 442.564 2.441 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccs2)C1 1692845156 CGMGFLIUCOVDHQ-NRFANRHFSA-N 441.561 2.022 30 10 IEEE CCCNC(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1695428805 PXJDBMIYDZWKNA-FCHUYYIVSA-N 432.569 2.365 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)cc1C 1698169812 IZKIPRKGNDLKCS-XLIONFOSSA-N 428.537 2.154 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCCc1ccccc1 1705495781 VJOOVHYHCPIXBZ-ICSRJNTNSA-N 430.574 2.288 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccn(CC)c1=O 1705575406 JORRVDUHASUOMZ-UHFFFAOYSA-N 439.317 2.338 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705621646 JTUOLPFLRUIFTF-GUDVDZBRSA-N 437.610 2.082 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1705633782 YMZJDFBKLXTBMU-VQTJNVASSA-N 437.592 2.215 30 10 IEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1705656252 SZKGJAFAEKBRAH-KRWDZBQOSA-N 443.573 2.419 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705813677 PKBDVGFZFYOJLN-UHFFFAOYSA-N 442.951 2.492 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705891226 KKDYKKQPTUGBFF-MRXNPFEDSA-N 432.519 2.370 30 10 IEEE CN(C[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1711149397 AEAWRQYPKOVLOJ-OAHLLOKOSA-N 434.566 2.196 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CCO1 1711360234 DXUDBGSTQILSTR-PMACEKPBSA-N 438.532 2.117 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CC1 1712102786 GBRCDNSIYQVXJS-SFHVURJKSA-N 426.546 2.007 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCSC1 1712454155 KGWCKTPCOUFNTL-HXUWFJFHSA-N 437.516 2.382 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1722294819 HZUYCNUXRCWRQH-NVXWUHKLSA-N 425.514 2.341 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC)nc1 1722370374 IWZYNRBTMIQLFN-UHFFFAOYSA-N 448.914 2.386 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722454267 KUMSRTVRLMZQJI-FUHWJXTLSA-N 444.513 2.443 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1722460211 WDUUGZWNVTWWRT-KSZLIROESA-N 440.635 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C)C1 1722729562 OWGCAKSDYFMWBX-QGZVFWFLSA-N 428.562 2.354 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@H](C(F)(F)F)O1 1726666276 IRRFOYWXJLDMSF-YOEHRIQHSA-N 439.438 2.372 30 10 IEEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1726744248 NRENKHZFALPBEM-PBHICJAKSA-N 447.465 2.168 30 10 IEEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1730572941 HZZSTNYEWDMLQK-MSOLQXFVSA-N 429.546 2.114 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1740533562 CJUXYHYERODHAR-IEBWSBKVSA-N 425.533 2.352 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1 1740613475 JBFZRUOLURFQDW-UHFFFAOYSA-N 425.533 2.083 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC1CC2(CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 1740628679 ZMQCMEUHZIFBNL-IBGZPJMESA-N 434.606 2.310 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1740671405 GNPCQAORROTMLH-QZTJIDSGSA-N 433.553 2.471 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740739773 ZUTGXTKGUDNQGM-RLFYNMQTSA-N 445.358 2.295 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1740926854 LWILUIAFPCQVHP-WOJBJXKFSA-N 430.597 2.149 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740964378 OCSOFINLVOSIME-MOPGFXCFSA-N 426.565 2.387 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740970028 YTUUYWRLDQDSOZ-MOPGFXCFSA-N 446.573 2.409 30 10 IEEE CC(C)c1nnc(N2CC[C@@H](CN3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741350865 GDLXFDZMJSJTAL-LQTLECTNSA-N 441.580 2.240 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1745188023 OHTWJHGMWZPDQJ-XMSQKQJNSA-N 425.537 2.274 30 10 IEEE CN(C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 1747518553 HMHMLKGSOJVYDM-QHCPKHFHSA-N 441.580 2.435 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1747964542 FXDNBWOWTGHDEZ-LJQANCHMSA-N 439.545 2.117 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1748819668 RFXVKHFIXKCAEY-GOSISDBHSA-N 441.582 2.309 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748824808 TUHNCCZXAUFQMU-HNNXBMFYSA-N 442.463 2.355 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Cc2cccs2)CC1 1748971296 KYFCBCKYDXOIGC-SFHVURJKSA-N 426.590 2.210 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1749009607 UFTZLGHKPMTFNQ-UHFFFAOYSA-N 436.516 2.348 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1749033933 RSJFMGCOLHIOJK-KURKYZTESA-N 446.621 2.117 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCOCC2)CC1 1749342009 AKKWYIHYWZAENQ-GOSISDBHSA-N 438.594 2.026 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1749391474 PJLWOIMMSQZLSB-MRXNPFEDSA-N 447.609 2.340 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749659194 XPLQSVHRAVQFSH-HXUWFJFHSA-N 430.516 2.465 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)CC1COC(C)(C)OC1 1749671570 FAJDTPMLGDEKJY-UHFFFAOYSA-N 431.512 2.146 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(OC)c1 1749676209 IVDYYELTXMLGED-UHFFFAOYSA-N 445.527 2.464 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(CC)s2)C1 1749721154 BIKTXTFLFRBODM-DAYGRLMNSA-N 434.566 2.246 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1749721720 RZQSODVMPLGXHW-ZWKOTPCHSA-N 435.594 2.274 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749726843 GTYAKJHSMOMUFE-DNVCBOLYSA-N 448.545 2.136 30 10 IEEE CC(=O)N1CCC(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1749814453 JQHXFQCPNISFGI-HTAPYJJXSA-N 432.569 2.316 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2)cc1 1750384544 DJTPVVFJCRKMKU-NRFANRHFSA-N 435.532 2.334 30 10 IEEE CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1752263236 BAAPPQIJPMGYNR-RXVVDRJESA-N 434.610 2.042 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1760106614 FHQJMWJQJDDXLQ-SFHVURJKSA-N 438.576 2.200 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1CC 1760173308 QQCQACKBEBKWOP-UHFFFAOYSA-N 440.573 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nnc2n1CCC2 1760199306 SXIFQXSGGVLFRN-UHFFFAOYSA-N 431.500 2.011 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccccc2C)C1 1760242828 PQSJMWLFORJYSD-GUDVDZBRSA-N 445.589 2.401 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1760415266 SJQAAWVRPPFXSZ-UHFFFAOYSA-N 430.597 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760553325 APRIKJGCEMTTLO-ZWKOTPCHSA-N 432.594 2.168 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1763044332 OMEMYRUCPMHUNQ-HUUCEWRRSA-N 446.506 2.377 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(OC)c1OC 1763112366 KVXUZNCHOPDVAZ-UHFFFAOYSA-N 433.516 2.499 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1765445952 AUFOJRYEDJJCRS-IIBYNOLFSA-N 426.500 2.242 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1766221978 CAQDYPUYDGGNBQ-UHFFFAOYSA-N 447.547 2.241 30 10 IEEE CCCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766258627 FNQQKWYQPUKIBH-OAQYLSRUSA-N 445.527 2.240 30 10 IEEE N#CC1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)CC1 1770743744 BJIDQEOTCPPMGA-UHFFFAOYSA-N 449.964 2.278 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770893446 WXAREZIOPNCBGR-QBEKEKFNSA-N 430.553 2.256 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1771030761 YYSXNHWPTJNOCS-UHFFFAOYSA-N 447.561 2.169 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1772566887 DQVKAJZOYUWXLF-SJORKVTESA-N 448.568 2.268 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)CC1 1849695576 SXLWWHSRESRUBK-GOSISDBHSA-N 426.492 2.179 30 10 IEEE Cc1nn2c(C)c(C(=O)O[C@H](COc3ccccc3)CN3CCOCC3)cnc2c1C#N 1851374156 JGVMRJVZGNPYLT-IBGZPJMESA-N 435.484 2.154 30 10 IEEE CN(C)C(=O)[C@@H]1C[C@@H](OC(=O)c2cnc3c(c2)c(C#N)cn3C)CN1C(=O)OC(C)(C)C 1852150974 UKSUQVXNEIWOOQ-WBVHZDCISA-N 441.488 2.068 30 10 IEEE C[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CCS1(=O)=O 1852606265 BIJXQRARMREVEL-LBPRGKRZSA-N 426.420 2.412 30 10 IEEE Cn1ncc(N2CCC[C@@H](C(=O)OCCSCc3ccc(C#N)cc3F)C2)cc1=O 1854966782 HUULUMLDHBYVGK-MRXNPFEDSA-N 430.505 2.484 30 10 IEEE CCCCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(=O)n(CCC)c1 1861241037 ISNAMUJVWIRKEA-IBGZPJMESA-N 434.581 2.489 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2C(=O)O)cc1 1862691354 LCCMZNQKQOLHRD-IBGZPJMESA-N 438.436 2.108 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862754507 MRRWQAKAFQCFAF-APPDUMDISA-N 427.369 2.462 30 10 IEEE C[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc(C#N)c1 1866621941 GATHMBKUIVTRAG-HNNXBMFYSA-N 426.498 2.245 30 10 IEEE CCOc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(NC(C)=O)cc2)cc1 1870098867 WKCSPXJYGXKUEO-UHFFFAOYSA-N 426.458 2.297 30 10 IEEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871007034 IITTYXIUORGWML-UHFFFAOYSA-N 437.521 2.477 30 10 IEEE COc1ccc2[nH]cc(/C=N/n3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)c2c1 1873494988 JRYVGWUSLVNZCX-FOKLQQMPSA-N 440.529 2.470 30 10 IEEE CCOc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c1 1874434884 CAJUHHMICMGWKU-LSHDLFTRSA-N 433.534 2.486 30 10 IEEE Cn1c(=O)c2cc(C(=O)NCc3ccc(C#N)c(F)c3)n(Cc3ccccc3)c2n(C)c1=O 1890738178 WWMDNZHPFYYKGT-UHFFFAOYSA-N 445.454 2.028 30 10 IEEE N#C[C@@](N)(Cn1cnc(I)c1I)C1CCC1 1995441926 JINHQSTWELPEGY-SNVBAGLBSA-N 442.042 2.113 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2010034420 WFYQQXAKOGBKML-JPYJTQIMSA-N 429.517 2.139 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010149447 CAMNDWVLPDYGJG-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060625626 MPZIWBVRPLATER-LRDDRELGSA-N 438.305 2.338 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626551 YBOUVJBOJIVIGK-YOEHRIQHSA-N 434.342 2.223 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)c(=NC(=O)OC(C)(C)C)[nH]1 2060633756 RDXDSVCSANUWCD-AGGWBTHJSA-N 432.330 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751768 IGUXPLPJKWTYEM-GHZYGTOFSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@@H]2C1 2085660854 NKJFLBKYAMZZLM-HUUCEWRRSA-N 429.326 2.432 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCCO1 2141667649 LBVAKZJEOUPYDE-QFIPXVFZSA-N 447.341 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1nc2ccc(Br)nn2n1 2180893127 AZRLFKLPVJKCMC-JTQLQIEISA-N 438.286 2.412 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2224134968 AHWKIHBIIAYISJ-NVXWUHKLSA-N 433.358 2.499 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2249539123 GFPLHGKNGKNJOG-QVKFZJNVSA-N 442.557 2.356 30 10 IEEE CC(C)(C)OC(=O)NCCCCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255643627 BNYOLYMVBZFAAM-UHFFFAOYSA-N 434.346 2.201 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255879762 UUBUNLXCVWZGRJ-CQSZACIVSA-N 434.346 2.151 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 2267152333 PEAPJOKRFYTXHD-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 2267191198 ZAWOCBBTZJASJY-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE CCCC1(NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267518087 CUARVRUVRTTYPX-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)C1 2267522868 ZEPCLJAEFDPDIJ-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)[C@H]2C1 2267801180 AMIAHHRKYXUKOO-HOTGVXAUSA-N 444.337 2.287 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267873722 RGKMZFDUBZRNDU-CABCVRRESA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268662693 CVJLSSRDSHFANM-GJZGRUSLSA-N 447.341 2.249 30 10 IEEE C=CCN1C(=O)C(=c2sc(=C3Sc4ccccc4N3C)c(=O)n2CC)SC1=S 2297707874 VCLXKIKIBMULGG-UHFFFAOYSA-N 447.632 2.392 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2312849613 JSGWSGHHLQFTQW-JQFCIGGWSA-N 429.326 2.118 30 10 IEEE CO[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)C[C@H]1NC(=O)OC(C)(C)C 2315388140 OTLQFOOFEIEJNO-SJORKVTESA-N 433.358 2.418 30 10 IEEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@](NCCC#CBr)(C(=O)O)C1 2349189877 XAMGWWGQBYVRLQ-ROUUACIJSA-N 431.327 2.335 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)c1 20528099 OONXHYDWGGZMRD-LSHDLFTRSA-N 445.480 2.325 30 10 IEEE CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H](C)Oc2ccccc2C#N)c(=O)[nH]c1=O 29759221 OEVCMHHDDCYNEY-OAHLLOKOSA-N 427.505 2.247 30 10 IEEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N3CCN(CC)CC3)cc2)c2ccccc21 33272760 TYZXGSOSJYKVJH-UHFFFAOYSA-N 432.524 2.175 30 10 IEEE CCN1CCN(c2c(/C=C3\SC(=S)N(CC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33478245 KMOFMGJNGKSQLM-ATVHPVEESA-N 445.614 2.411 30 10 IEEE COc1cc(/C(N)=N/OCc2cccc(S(=O)(=O)N(C)C)c2)ccc1OC(F)F 69573449 CVOBLOXRJAJALC-UHFFFAOYSA-N 429.445 2.384 30 10 IEEE CN(C)C(=O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 97286808 RVQYAXQVZQFCLR-GOSISDBHSA-N 441.576 2.156 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@H]1CCS(C)(=O)=O 428854077 BARREQPIBCNNAL-SFHVURJKSA-N 438.594 2.241 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[C@@H]3CCCC[C@H]3O)CC2)cc1 433264488 ZTPTYMZLGCZXKH-GHTZIAJQSA-N 433.574 2.406 30 10 IEEE CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 435684831 NAVSDDHCVIBOBZ-OTWHNJEPSA-N 447.557 2.394 30 10 IEEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(OC)c1 461304936 WJUFQXOQSCLWMM-IBGZPJMESA-N 446.467 2.399 30 10 IEEE C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCN(c2ccccc2)CC1 462087174 BKXIVIQUZQJOKN-GOSISDBHSA-N 430.516 2.471 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 471591036 QGEGLMRFFWAJJY-UHFFFAOYSA-N 427.313 2.350 30 10 IEEE COc1cccc([C@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)c1 484802689 BXFUKQSOXVNIMV-LEWJYISDSA-N 448.479 2.372 30 10 IEEE CCCc1c(NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)cnn1-c1cccc(C#N)c1 488710429 DUCLYSPTOUHEBN-HUUCEWRRSA-N 440.504 2.274 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1C#N 489673676 NYLLRZSDKRGRSB-UHFFFAOYSA-N 430.921 2.069 30 10 IEEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508460146 APJAYVIIBXBLLP-IBGZPJMESA-N 425.533 2.427 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 509013382 TYQLPVIMBAOGHW-IBGZPJMESA-N 449.577 2.221 30 10 IEEE N#Cc1cccc([C@H]2CN(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)CCO2)c1 513674892 LZWGOWXGYDKHBE-PZJWPPBQSA-N 440.525 2.104 30 10 IEEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccc(C#N)c3)CC2)c(OC)c1 515751401 VTXMOAWWGRRYKM-UHFFFAOYSA-N 429.498 2.159 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCO4)c2=O)nc1 531630068 HWWSWAXAQLODIB-UHFFFAOYSA-N 445.500 2.203 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)C[C@@]2(CCOC2)O1 549487495 WOBUBKZHASZRBM-HCLVMJGWSA-N 439.516 2.292 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 558455385 XSTSZZSAAWAREE-WMZOPIPTSA-N 448.593 2.428 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 559010021 VBLKDKXWJDVLSA-VQIMIIECSA-N 431.562 2.296 30 10 IEEE COc1cc(CNC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)ccc1C#N 582273124 ZWLMGZGJXSGQBH-UHFFFAOYSA-N 436.497 2.356 30 10 IEEE COCCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 603934596 NZCYOKJWTVDMJI-NRFANRHFSA-N 427.526 2.389 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1-c1ccccc1C#N 604003041 XZAYXYOPCFISCL-UHFFFAOYSA-N 442.525 2.234 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1 609694494 HORAXPOXUQGVEP-IAGOWNOFSA-N 431.464 2.473 30 10 IEEE CN(C)CCn1cc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cn1 610870249 JWWMKZVQXYJVBP-UHFFFAOYSA-N 432.484 2.473 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 618786457 RLLDQVJXDCZWEE-HKUYNNGSSA-N 428.514 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 732707100 UNRPBWNONAYSSE-SFHVURJKSA-N 439.516 2.121 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(OCc2ccccn2)c(F)c1 746741013 CFDLYWCXTGEFDT-FMQUCBEESA-N 425.420 2.448 30 10 IEEE CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H]2COc3ccccc3O2)cc1C#N 752410903 IIEKFPUQBICXQD-MRXNPFEDSA-N 438.440 2.411 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCc1cn2ccccc2c1C#N 755183476 FGQJKQSUBXACSS-GOSISDBHSA-N 426.473 2.370 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccco3)CC2)nc1 756700719 VJKFSGSMNFGWAC-RBUKOAKNSA-N 425.489 2.049 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCOC(C)C)c1 758054647 MLHKLQONSILYLO-IBGZPJMESA-N 430.574 2.092 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 783011308 NQMLSOVYGALXCO-LBPRGKRZSA-N 440.875 2.233 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC[C@H](OC)C(F)(F)F)C1=O 786690498 VIWPZBNFXSAMDT-LRJITTQHSA-N 432.468 2.028 30 10 IEEE O=C1CCC2=C(CCCC2=NNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N1 788015703 FUYZAOJBULDUPE-UHFFFAOYSA-N 433.490 2.495 30 10 IEEE COC(=O)[C@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 800883388 YBIXZDXAHKVZGZ-QGZVFWFLSA-N 425.869 2.133 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 804026110 XRQLPSQSAWVRPE-RDJZCZTQSA-N 444.532 2.335 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 804891628 DZBVEYRSIPSPHG-INIZCTEOSA-N 427.555 2.384 30 10 IEEE COC(=O)c1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc2[nH]ccc12 813864914 IGXHOIAQOAPEGY-GFCCVEGCSA-N 440.481 2.410 30 10 IEEE COc1nn(C)c2nc(C)c(CCC(=O)NS(=O)(=O)Cc3ccccc3C#N)c(C)c12 916775217 LBJYDZFIXCSRLV-UHFFFAOYSA-N 441.513 2.044 30 10 IEEE COc1ccc(C(C)=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1OC 1084483884 PSWVXDCSHFQFAC-UHFFFAOYSA-N 434.507 2.240 30 10 IEEE COc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)c(F)c1 1134649713 LIMJTDKYMAWPCY-HXPMCKFVSA-N 435.502 2.277 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@](CO)(c3ccccc3)C2)s1 1171069498 IWMDWYACXOXAQT-NRFANRHFSA-N 434.583 2.308 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CO1 1179767278 WHPJDBFMISPULK-NSHDSACASA-N 426.267 2.367 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1286568903 YPSGUPYSSBRCGJ-INIZCTEOSA-N 431.566 2.295 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286602207 VHOOPDQBKXLUJX-INIZCTEOSA-N 434.566 2.352 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286625147 ANHMLIZGNMFBSP-UHFFFAOYSA-N 427.896 2.293 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1286680077 WPKOFWJGYJVDRC-MSOLQXFVSA-N 431.562 2.070 30 10 IEEE CC(C)NC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@]1(OC(C)C)CCOC1 1288247502 AKDAPSJNDNDPPY-QHCPKHFHSA-N 440.548 2.351 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)F 1288519933 QIVOIEIEKJYQII-OAHLLOKOSA-N 434.495 2.472 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1291297333 XXLVSSDKEWBXEJ-FMKPAKJESA-N 449.353 2.447 30 10 IEEE C=C[C@](C)(CCOC)C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1298846185 IPZTXWUJHMIDEO-LJQANCHMSA-N 428.576 2.223 30 10 IEEE C#CC[C@H](NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1)C(=O)OC 1299179491 RFDGNSRMCXPRRZ-SFHVURJKSA-N 435.505 2.223 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1299551833 DBORZCNSDKBUAO-PXNSSMCTSA-N 437.548 2.434 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1300487879 MZBXAVXYMQNDEO-SFHVURJKSA-N 431.562 2.030 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1300602247 BJEAWGBYCKVMCJ-XMMPIXPASA-N 439.560 2.275 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1300650708 WCDRCGCPOBOUOU-AZUAARDMSA-N 440.548 2.463 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCN1CCc2ccccc2C1 1300663821 JLTXLMBHIFPTSM-UHFFFAOYSA-N 431.544 2.270 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCN(CC)C2)CC1 1300683287 ZAUFOQXUFWCWJE-OAQYLSRUSA-N 449.603 2.244 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(C)CCCO2)CC1 1300689173 RFQLSCXIRJQQOH-QHCPKHFHSA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCC(F)F)CC1 1300696246 WENWEUAKSGSKFY-UHFFFAOYSA-N 427.459 2.116 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)N[C@@H](C)CC)CC1 1300703706 QEDCQBPTWHVQHE-IBGZPJMESA-N 447.587 2.410 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300833247 WVKILTGXOOZKIX-HZPDHXFCSA-N 427.306 2.440 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300927483 GTXXWSLKEASAIN-NVXWUHKLSA-N 428.924 2.152 30 10 IEEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1301381208 WBTYDZPEHLKHJL-NRFANRHFSA-N 427.530 2.154 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCCC1 1303627259 HCAJFCSTBXGBQX-QGZVFWFLSA-N 438.536 2.456 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1 1306015644 WSWJDUZUBNUNDH-IRXDYDNUSA-N 441.525 2.228 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1313983041 GNDNZNPUIFQSCF-FDDCHVKYSA-N 435.532 2.157 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCn1ccnc1C 1314388432 MPXBCSOGSWUXEX-UHFFFAOYSA-N 449.563 2.393 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNc1ccccn1 1314388673 ARTXFSKZCAHREI-UHFFFAOYSA-N 447.547 2.305 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(F)(F)Br 1314918179 WVJGZFWTKWDEJS-ZDUSSCGKSA-N 440.296 2.448 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1316189478 NIICJYFQJPYWNO-GCJKJVERSA-N 434.585 2.243 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)nc1 1358419075 HYVMNQAUKLZXQS-KRWDZBQOSA-N 434.887 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C(N)=O)nc1 1358876268 GLRIKXQXYWIIBN-HNNXBMFYSA-N 426.484 2.335 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1358930132 OXLNXNDPUPJKMR-IEBWSBKVSA-N 432.521 2.311 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1358965480 WDLFOYPVLDVAJC-GOSISDBHSA-N 433.603 2.032 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(CC)C1 1359025303 JWEIXXPRONBOAE-NQIIRXRSSA-N 425.533 2.218 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359059636 UVMRHTAVBRJJDM-SFHVURJKSA-N 433.603 2.034 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359082285 DVICBAUQRMISLV-UHFFFAOYSA-N 439.358 2.028 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)CC1 1359137141 GJNCXBDCIZVFAL-IRXDYDNUSA-N 447.502 2.279 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCSC2)CC1 1359161453 DUVODGKVAQTWOP-FQEVSTJZSA-N 434.587 2.373 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359205261 RMAVACGXUNABDN-UHFFFAOYSA-N 446.559 2.441 30 10 IEEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359237907 RJTFZTHKSOWRTQ-XYJFISCASA-N 441.536 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC(N)=O 1359294145 LRQZZIVXNWPSDU-ZIAGYGMSSA-N 430.578 2.134 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1359298984 QRXCMUBNHLWXGP-QGZVFWFLSA-N 438.532 2.360 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Cl)s1 1359327052 QSBCVCFPSUYDFP-UHFFFAOYSA-N 445.998 2.368 30 10 IEEE N#CCCCCC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1360395519 GCDOHYWAHODESO-UHFFFAOYSA-N 442.379 2.451 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1454205544 PFNVTPNKPMDEQX-ZBFHGGJFSA-N 433.509 2.489 30 10 IEEE C#CCN1CCC(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 1455947384 SCJIIJGLGGWBFN-UHFFFAOYSA-N 428.577 2.227 30 10 IEEE Cn1nccc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1460119668 CXMTXENFEVZFSM-CLCXKQKWSA-N 427.892 2.335 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 1464701444 YXBMZFWRNIRHBX-CQSZACIVSA-N 435.527 2.024 30 10 IEEE CC#CC[C@H](CO)NC(=O)NCCOc1cccc(NC(=O)c2ccc(OC)cc2)c1 1468842351 RASQAWWSCQLYIX-LJQANCHMSA-N 425.485 2.400 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCOC4(CC(C(=O)OC)C4)C3)n[nH]2)c1C 1471805722 PYVCUEPWOBNMKH-BXFSZVDSSA-N 427.505 2.307 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)COCCO1 1495736595 WBGLMBKAONLCBV-HTAPYJJXSA-N 425.537 2.190 30 10 IEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1502524902 HTEAWDWGMGODKW-IBGZPJMESA-N 434.504 2.313 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1504530793 FDIRSSBVPCOFGN-MJGOQNOKSA-N 426.496 2.250 30 10 IEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1507619383 KADIMNIRVUFYEQ-UHFFFAOYSA-N 426.590 2.112 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2ncccc2C)n1 1507717243 SNKPUNGGFJLJES-OAQYLSRUSA-N 435.532 2.364 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507724409 OPIDHVQEXXGUME-UHFFFAOYSA-N 430.556 2.295 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1507763170 PUFGAWVATFFWOZ-HXUWFJFHSA-N 428.447 2.195 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507766805 YORRTNFXKOHMGH-GBXCKJPGSA-N 437.592 2.218 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1507821379 ZUEGLLGLLIOJBC-SQNIBIBYSA-N 425.599 2.450 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507863123 CMARLPCKAAWJCX-QLFBSQMISA-N 436.944 2.285 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1508072120 DZOMWWXERMZRRI-UHFFFAOYSA-N 440.548 2.065 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ncn(C)n2)C1 1508113521 HECZRIGEOFOAOH-CQSZACIVSA-N 447.341 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCCCC1 1508147206 HBQDMVIURBQSLZ-WMZOPIPTSA-N 426.583 2.372 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1509949544 AIZQTVDXXIOEAY-QFBILLFUSA-N 435.532 2.138 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1512105271 HZCJIGJOQQFCME-WKRCXCSHSA-N 436.626 2.429 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C)nc1I 1515569794 JKURXYRUPPZWOI-UHFFFAOYSA-N 437.285 2.100 30 10 IEEE COCc1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1518812573 GRALKDJLPJLDCL-REWPJTCUSA-N 441.532 2.242 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1519185168 RKMMPJKUMQFZPL-WOJBJXKFSA-N 428.558 2.449 30 10 IEEE Cc1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1I 1525459404 JPFLUPBJWBMAFV-UHFFFAOYSA-N 437.241 2.283 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1525739016 KYGXOZXTRPIFPE-XYPHTWIQSA-N 443.363 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1539028796 DAGTZRMQVNOTBU-CVEARBPZSA-N 429.546 2.271 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1539049636 RRNBOTKCPSGHOY-MRXNPFEDSA-N 441.532 2.441 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1539163018 YTCIREBLVYEPSM-GOSISDBHSA-N 426.565 2.058 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1539226459 YSQQIVANNQWNFC-GOSISDBHSA-N 448.976 2.451 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)C(C)(C)C 1539288869 IHIHGEXRHKUZIK-UHFFFAOYSA-N 428.558 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1539412619 AXZDGJMXFZOBKP-IRXDYDNUSA-N 436.516 2.231 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSC(C)C)CC1 1539438090 NJFXQRBAUYMYLM-UHFFFAOYSA-N 447.630 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CC)CCCC2)CC1 1539476863 GKDJBWCLOCTRRO-GOSISDBHSA-N 426.565 2.165 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1539512244 BHBKEGVCYPVABK-UHFFFAOYSA-N 436.467 2.281 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C(C)C 1539616383 QJZHBDFSFBFASM-TVFCKZIOSA-N 425.599 2.494 30 10 IEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539693430 KWJBOXVXJJAFDR-QGZVFWFLSA-N 426.521 2.485 30 10 IEEE CN(C[C@@H]1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O 1539816248 STSJOELLFPYSFO-DLBZAZTESA-N 444.598 2.094 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(C)C 1540148560 YTAGSTKKCGBKPN-XXBNENTESA-N 443.596 2.100 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(OCCN2CCCC2)CC1 1540870227 HTRUBMUDIIOULB-UHFFFAOYSA-N 430.597 2.319 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1540873976 QLYAIDFOFOPDMX-UHFFFAOYSA-N 429.594 2.092 30 10 IEEE CC(C)Cc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541439479 UIUYHWKXDAUUKU-SGRLSNSRSA-N 442.564 2.134 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1541957765 SBILRKIZBKHYNJ-QYWGDWMGSA-N 431.924 2.462 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1CCCCO1 1548170964 FEADZMCXDZXAOH-IBGZPJMESA-N 425.537 2.367 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1554481030 CGISXEKJYXLCHG-UHFFFAOYSA-N 434.504 2.202 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)CCOCC1 1555679183 KUCNLWHCUILAMR-FQEVSTJZSA-N 441.532 2.254 30 10 IEEE Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 1556782811 SWNLIYHZDSJXPZ-BBRMVZONSA-N 438.322 2.106 30 10 IEEE C#CC[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)C(=O)OC 1556970836 JUZBXJVCIPRBTF-LLVKDONJSA-N 445.195 2.343 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1558401106 PQULJYFCSJYTRZ-LIRRHRJNSA-N 426.498 2.205 30 10 IEEE C=CC1(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CN(C(=O)OC(C)(C)C)C1 1558842189 DIKSJGUBUDNQLW-MRXNPFEDSA-N 439.553 2.240 30 10 IEEE C=CCn1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)nn1 1564958296 MRNVKOYNJVDNGX-GOSISDBHSA-N 427.509 2.363 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(F)c(F)c(Br)c(F)c1F 1585297306 RZEPOFWGWOMJKG-FYWRMAATSA-N 436.159 2.262 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCO[C@H](c4ccncc4)C3)C2=O)cc1 1585385125 WJHDDSNJDGTOFI-HOJAQTOUSA-N 433.468 2.195 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 1587922634 HDYNPXKCIFADGW-UZLBHIALSA-N 432.473 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1588228377 FAXGHCXONFIGPL-HXUWFJFHSA-N 439.585 2.066 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCOC2)n1 1588724056 TUUZMICQJZPDHQ-PZJWPPBQSA-N 442.564 2.429 30 10 IEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593865072 AFRMXMNPWCBIQJ-BEFAXECRSA-N 431.972 2.405 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H](NC(=O)NC)C1 1595609654 AKENJINUGFZGQI-CYBMUJFWSA-N 439.310 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1595798695 SFHJTVVVJJWPHI-UHFFFAOYSA-N 434.541 2.007 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1595890370 RKHRLTVCORYVSO-LJQANCHMSA-N 428.606 2.342 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1598205467 ZKMBZCOOWPUZPF-FCHUYYIVSA-N 443.573 2.239 30 10 IEEE C[C@H]1CN(c2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cn2)C[C@H](C)O1 1611648652 DQALAVDUYGQUHD-HOTGVXAUSA-N 438.484 2.213 30 10 IEEE Cc1nnc(N2CCC(COc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612567695 GOPRCJUMCMDWLF-QURGRASLSA-N 436.516 2.408 30 10 IEEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1612799721 IIKNWJZIMLMDLS-QGZVFWFLSA-N 447.561 2.026 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1613412316 AHXNSXSBTZQHRT-FXAWDEMLSA-N 444.605 2.419 30 10 IEEE CCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2c(CC(C)(C)C)noc2n1 1618171718 JFTMAGQTAWEVFR-YEJXKQKISA-N 430.530 2.384 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCOC(F)(F)F)cc1 1620351139 WGEQLOZPGDZRFN-IBGZPJMESA-N 434.422 2.460 30 10 IEEE CCC1(CC)CNC(=O)[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1620612532 HKLPKSQUKUVPLV-KKSFZXQISA-N 441.576 2.250 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1620622924 GIUZDENQKZUZMB-QGZVFWFLSA-N 434.548 2.097 30 10 IEEE COc1ccc(C[C@@H](CO)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1O 1622382618 MWQFBUDXKOVQHM-LJQANCHMSA-N 446.544 2.319 30 10 IEEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 1625113066 BYVQBIWESRMMSN-UHFFFAOYSA-N 439.497 2.069 30 10 IEEE COCCOc1ncccc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1626835158 LXMROGSZZWKUHU-UHFFFAOYSA-N 445.317 2.494 30 10 IEEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1628481165 QXOAOEBTFOYAQV-CYBMUJFWSA-N 427.332 2.164 30 10 IEEE COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cn1 1630498024 GEDLKPVMQQSUIS-FCDQGJHFSA-N 433.534 2.375 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 1631841841 HYJKUENSOMBOPX-AWEZNQCLSA-N 432.893 2.213 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)s1 1632066078 DYMICPWBEKTRCO-INIZCTEOSA-N 449.598 2.406 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1635972046 ULYMJSZRELMTTR-CRAIPNDOSA-N 435.546 2.265 30 10 IEEE CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1636040140 CKFRZKNQSRPICL-MRXNPFEDSA-N 434.496 2.307 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 1636814552 LJGDPCFVZCJZEK-CABCVRRESA-N 435.315 2.098 30 10 IEEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 1642915551 CXKBKXUTQCYYPX-PKOBYXMFSA-N 448.589 2.224 30 10 IEEE C[C@H]1CN(CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 1645219654 WUYXFPIWLNYDQI-HOTGVXAUSA-N 426.477 2.211 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1649539892 SVLJFGZUBOSXNK-GAJHUEQPSA-N 426.517 2.402 30 10 IEEE COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(C#N)(C(=O)OC)CC1 1654466734 GTNLJZHKAINCLA-UHFFFAOYSA-N 428.272 2.497 30 10 IEEE CCC(=O)c1cccc(C#N)c1OCC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O 1656805248 NBXOEAUWJUUCJP-HSZRJFAPSA-N 434.452 2.418 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 1664414848 TYZIWINAUMEGAI-FQEVSTJZSA-N 437.993 2.304 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1689849939 UQYLWHWXWQIZBI-UKRRQHHQSA-N 434.342 2.127 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690080035 DOCYSGDZLJQABF-UHFFFAOYSA-N 443.555 2.072 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCCCCC2)CC1 1690128979 MULYUPBCXOJRHC-UHFFFAOYSA-N 428.606 2.474 30 10 IEEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690489823 DIBITRMAKPPICW-UHFFFAOYSA-N 428.581 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2cc(F)cc(C)c2C1 1690724043 GRIYUWHOEVCVAR-QGZVFWFLSA-N 434.537 2.393 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cs1 1693354980 MZVQLRLJLVBYKJ-GOSISDBHSA-N 434.591 2.341 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@H](C(F)(F)F)O1 1693776075 WCJAPMCOLGAEON-CZUORRHYSA-N 447.425 2.050 30 10 IEEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1695430311 BDCORUXFTGQHMM-UXHICEINSA-N 438.532 2.495 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)CCO1 1698492520 CWWSVSRGCZFNMZ-WUCCLRPBSA-N 426.443 2.327 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1nnnn1CC1CC1 1705506139 RRTKRAKUBRPAGA-HNNXBMFYSA-N 438.561 2.482 30 10 IEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(F)F)CC1 1705532080 FSDRRDOKJXACOQ-UHFFFAOYSA-N 444.534 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCc1cccc(C(N)=O)c1 1705600090 LUIWLFGNGPGZPM-UHFFFAOYSA-N 432.553 2.438 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)CC1 1705638006 UJLUOXVZMYUAAG-UHFFFAOYSA-N 435.532 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCOC2)CC1 1705649833 GGXYBZYTBMCQNJ-SFHVURJKSA-N 427.574 2.323 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705755914 KDWHYMFSBSYEDO-UHFFFAOYSA-N 445.923 2.418 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(Cl)cn2)CC1 1705763583 YNEHRFYWQVTWFO-CQSZACIVSA-N 440.957 2.172 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCOCC2)CC1 1705776699 NDPJKZLMICECIZ-QHCPKHFHSA-N 433.597 2.443 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705831492 UMXBMIYRGCGSRW-AEFFLSMTSA-N 430.578 2.189 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1705880535 IKHNGMCPMAQNDC-QUCCMNQESA-N 440.548 2.316 30 10 IEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1710979538 VGDQUFMUBRHSIU-LJQANCHMSA-N 426.521 2.212 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)cc1OC 1711732194 JWQVFBUFOVZPNN-KSSFIOAISA-N 426.521 2.473 30 10 IEEE COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1711850825 HTHLVQNQPJXHMT-GOSISDBHSA-N 440.529 2.428 30 10 IEEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712620043 ZQFPJCZWMNOTFS-JOCHJYFZSA-N 448.527 2.376 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1722366912 KRSWDDNEAOYYFU-RTBURBONSA-N 446.548 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccsc1)N(C)C 1722370780 OTQMLEWTBTVVAI-GOSISDBHSA-N 433.541 2.363 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722375317 MMMSBXLKSGDBPG-KDURUIRLSA-N 436.516 2.425 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1722672824 ZUTJKEAUQOBNMY-QGZVFWFLSA-N 448.568 2.243 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722698016 SKENJIHMPBNTDZ-OAHLLOKOSA-N 429.525 2.021 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCOC[C@@H]1C 1722727111 IQHZYLYGYWYHCW-INIZCTEOSA-N 429.546 2.263 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1728641019 BNJRYUZGWORKLL-RBUKOAKNSA-N 449.559 2.226 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1729161231 FMXKHHYGYHUXRQ-IBGZPJMESA-N 447.561 2.169 30 10 IEEE CCOCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729164282 WEXTWZGMHUKHTP-GOSISDBHSA-N 426.521 2.079 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H](C)C1 1729195458 BOAFEYBZVZACLA-SFHVURJKSA-N 444.605 2.420 30 10 IEEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 1729819875 GQFMGOVNILUFCS-DHIUTWEWSA-N 438.532 2.246 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740577667 LOWRIVOCGMPMKK-NRFANRHFSA-N 428.562 2.036 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740701582 MJSOTSACLUZKSM-MWTRTKDXSA-N 425.533 2.363 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740759504 JRLJCMPTDWILMK-RYTRXMBJSA-N 427.549 2.485 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740794903 KCOVCJYHRZOGBA-QGZVFWFLSA-N 444.536 2.070 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740941759 RYYYJBHRSBTXPW-DBXWQHBBSA-N 438.594 2.024 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(C(C)(C)C)no2)CCOC1 1741731585 JMYGJHCHSNEWSJ-JTSKRJEESA-N 444.536 2.381 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1748964722 IBEBTZQITGZUCD-FQEVSTJZSA-N 434.544 2.351 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749037220 BSPKJNHTZXTPQS-SJORKVTESA-N 426.608 2.290 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(COC)CCOCC2)CC1 1749342010 AKKWYIHYWZAENQ-SFHVURJKSA-N 438.594 2.026 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749425210 YRHXLFLDOSMSHG-GHTZIAJQSA-N 438.580 2.080 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCOCC1 1749564580 CDTAWZMJAXUDGD-UHFFFAOYSA-N 449.563 2.210 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1749565205 IRDCIHAECAOKAX-JOCHJYFZSA-N 439.541 2.221 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1749583839 ACKPBDPRHHUGCC-QFIPXVFZSA-N 432.590 2.261 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 1749600305 VIDIMVDPZMGAKP-XLIONFOSSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749664652 VTEKIQHESDYZFV-AWEZNQCLSA-N 432.912 2.178 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1749666700 QBRFRXXNUBXOOW-KBPBESRZSA-N 439.545 2.226 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCOC(C)(C)C)CC2)c1C#N 1751827807 MEWUNAMSQXSKAT-UHFFFAOYSA-N 426.569 2.286 30 10 IEEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1752429421 HYDBMVJOFULQOP-AYAKEVCGSA-N 449.540 2.285 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1760133218 XQHPYTUBWXNZER-UHFFFAOYSA-N 445.545 2.041 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CCN(CC)CC1 1760170669 LPWDCFSUCBXWCF-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1760185087 PHAABBRSZJVNSN-RLFYNMQTSA-N 448.520 2.120 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)Nc1ccccc1 1760193546 IKJGDYIQBOKEDR-UHFFFAOYSA-N 427.468 2.027 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1760205389 AFHNCBSOJPUOHB-YADHBBJMSA-N 432.572 2.066 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)no1 1760239926 AVFHORVYZREVFI-HNNXBMFYSA-N 446.508 2.012 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCc2ccco2)CC1 1760258810 SXCUPEPNVXVIBQ-UHFFFAOYSA-N 438.919 2.263 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCN(c3ccccc3OC)C2)CC1 1760263757 NUTIZOLKVMJRRL-FQEVSTJZSA-N 438.576 2.105 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760355933 AQUZWWZRPAMLHJ-SFHVURJKSA-N 426.477 2.293 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](COC)C1)c1ccccc1 1760362102 ASMLUWATRBAZHR-ZWKOTPCHSA-N 433.578 2.465 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760455029 GJFNFOANLBKVNM-QPPBQGQZSA-N 441.576 2.167 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1)N(C)C 1761396002 HMTGQYIMVLMNBW-LJQANCHMSA-N 437.592 2.315 30 10 IEEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1)C(F)(F)F 1761452971 GBQQVOVKJUHIHM-OAHLLOKOSA-N 445.453 2.181 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN(C)CCCOC 1763103333 XUNSTRVQGMFPHU-UHFFFAOYSA-N 429.544 2.146 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1766715857 XAAOGLQAZHKXHH-LPHOPBHVSA-N 446.577 2.007 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCCC2)CC1 1767827466 HYEMRZLJWHIFNW-UHFFFAOYSA-N 436.564 2.154 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1nncn1-c1ccccc1 1770172509 LPSZLXXSUOBNLG-UWVAXJGDSA-N 436.520 2.369 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1771352031 GSMNETAJVUBWQO-WMZOPIPTSA-N 447.586 2.105 30 10 IEEE C=CCN(C(=O)c1nnn(-c2ccccc2OC)c1-c1ccncc1)[C@H]1CCN(C)C1=O 1850564907 VHBRGZIDQROZOJ-SFHVURJKSA-N 432.484 2.197 30 10 IEEE N#Cc1ccc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)c(Br)n1 1852168765 LDCYPTVGZPZBAF-UHFFFAOYSA-N 429.230 2.155 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](F)CC3CC4(CCC4)C3)C(=O)C2)cc1 1854037570 KHEFEVACSNQJSH-SFHVURJKSA-N 433.505 2.226 30 10 IEEE Cc1cc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)ccc1Cl 1854415107 YRYJYKVULIVHOH-UHFFFAOYSA-N 437.949 2.418 30 10 IEEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC[C@H](COC(F)F)C3)ccc21 1854624129 OZPDSLHXNZYBBI-ZDUSSCGKSA-N 441.456 2.046 30 10 IEEE C[C@@](C#N)(CCc1ccc(Br)cc1)NC(=O)C1CCN(S(C)(=O)=O)CC1 1858060237 HZVHHYBCESTKBN-SFHVURJKSA-N 442.379 2.452 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2Cl)cc1 1858643970 METQFPSJVRAACM-UHFFFAOYSA-N 437.905 2.209 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1O 1862630615 XWWIGTVCETZSCM-NSPYISDASA-N 427.409 2.089 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)Cc1ccc(OC)cc1OC 1873710754 SOBOTXQWJNWEAD-UHFFFAOYSA-N 431.514 2.027 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874279714 FKOBXDUYXCUCKT-HXJASHHUSA-N 432.506 2.267 30 10 IEEE CCCOc1c(Br)cc(/C=N/n2cnnc2SCC(N)=O)cc1OC 1874537486 GQNUZDPLVOSPQY-FBCYGCLPSA-N 428.312 2.298 30 10 IEEE Cc1cnc(C(F)(F)F)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889263679 FPQQTMZLTZLVDT-UHFFFAOYSA-N 438.494 2.281 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 1908277016 VPFPMBNKSJPACT-VAMGGRTRSA-N 428.533 2.247 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 1993946851 XXZFQMDUXDJPBL-HNNXBMFYSA-N 427.542 2.192 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1 2010229574 PVSGKSLSGRSSKX-YKSBVNFPSA-N 429.561 2.436 30 10 IEEE CN([C@@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108361930 HUINHONAVZXECI-XJKSGUPXSA-N 435.399 2.117 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243419273 VNDURZXECSMNKO-LBPRGKRZSA-N 425.360 2.333 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243434922 HOUSCLGESMMVEV-HNNXBMFYSA-N 430.376 2.493 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247778805 IEVCGWRBIKQDIG-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247825354 CGAFZCNCGYMLFT-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE COC(=O)[C@H](CCNC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247945085 VJQNPEJLJMDHOS-MJBXVCDLSA-N 426.319 2.041 30 10 IEEE CC(C)C[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255627803 YQOQJUCLYZBWHK-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255631346 XKAWBTVXNUSYMU-UKRRQHHQSA-N 434.346 2.227 30 10 IEEE CO[C@](C)(CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2255631698 CRTRTVXLRZAYQG-JOCHJYFZSA-N 429.326 2.061 30 10 IEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255803584 QOQIGIBAWFTTFT-CHWSQXEVSA-N 449.382 2.380 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255824370 GWVMTVSKAVTYEV-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256719615 AVOIDFQXKUMDBF-KRWDZBQOSA-N 429.326 2.268 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2256927416 FNMNYLOAUXROFS-OAHLLOKOSA-N 446.334 2.151 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2267002177 VXYHUPHBCHVIBS-HNNXBMFYSA-N 445.325 2.472 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267004218 BKIRONIYCFVGDJ-STQMWFEESA-N 441.259 2.052 30 10 IEEE Cn1ncc(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267008970 IYXNFWBSZAAXLJ-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267188951 TUXNSCVCACKEST-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267192961 YDCPKTVXFZAYSC-INIZCTEOSA-N 446.357 2.295 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 2267536104 ADIHATULQBBUNE-HOCLYGCPSA-N 448.373 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)C1 2278802874 YZCUDQAROYJBKA-GVDBMIGSSA-N 425.323 2.125 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2283072717 SRPNBLVOXIYYMP-UQBPGWFLSA-N 448.376 2.418 30 10 IEEE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(C#N)ccc1C)NC(=O)OCc1ccccc1 2286041156 UGDZSCKUBVDLDQ-GOSISDBHSA-N 431.470 2.076 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2298375888 JQOPSKKLSGMXMX-AVGNSLFASA-N 435.355 2.180 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2302952405 SELGVONIMBTQRK-UXHICEINSA-N 449.617 2.310 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2cn(C)c3ccccc23)CC1=O 2329056134 WKTDBCRRAWCEMI-HNNXBMFYSA-N 426.546 2.461 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)cc2C1=O 9701609 PXQABUNSNLHOPP-UHFFFAOYSA-N 449.463 2.031 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 22227405 LAIOJVLQLVJKJM-KRWDZBQOSA-N 427.574 2.365 30 10 IEEE COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1N=C(N/C(N)=N/c2cccc(C)c2)N=C1O 40376564 UJCNCHAPKIKCDN-OAHLLOKOSA-N 439.432 2.171 30 10 IEEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCOc1ccc(F)cc1F 90732375 BGRUQBFRKWJGIE-AWEZNQCLSA-N 431.464 2.246 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OC)c(O)c1 170321537 JXJMFJKWHQGDKQ-HXUWFJFHSA-N 441.436 2.397 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 240772216 AWBHJOVVLPKGIX-UHFFFAOYSA-N 441.918 2.033 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc(C)cc2)C1 256032550 GRRMIJSRBSKMSF-IKGGRYGDSA-N 435.484 2.494 30 10 IEEE C[C@H](C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)n1cnc(C#N)n1 409947525 UUUJIEDUFMVJPY-CQSZACIVSA-N 430.424 2.024 30 10 IEEE C=CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 410066664 BNQQSDSUXTWPJN-CQSZACIVSA-N 436.452 2.039 30 10 IEEE N#Cc1ccc(OCCNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)cc1 460286671 VUBRSBCVMSKKHX-UHFFFAOYSA-N 437.568 2.166 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN(c3snc(C)c3C#N)CC1)CC2 461190066 GPCLSROWXHPPJI-UHFFFAOYSA-N 441.557 2.047 30 10 IEEE CSCC[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)c2ccccc2C1=O 461304118 UWZBYKUURZPJQP-GOSISDBHSA-N 446.492 2.495 30 10 IEEE CCN1CC[C@@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](C)C1 471231407 HHCGDRCALSWZPF-PKOBYXMFSA-N 440.548 2.117 30 10 IEEE CS(=O)(=O)c1cccc(Oc2ncccc2CNS(=O)(=O)CC2(C#N)CCC2)c1 477560978 LLKDSMSPEKNMET-UHFFFAOYSA-N 435.527 2.391 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCO[C@@H](C2CC2)C1 508808779 IIZBCNURNNPFFZ-OAQYLSRUSA-N 436.560 2.037 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 508825194 DDNOISDHRDHFIF-MRXNPFEDSA-N 425.942 2.087 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1-c1ccccc1C 521934707 QXENPVBLWGLDOR-UHFFFAOYSA-N 441.459 2.058 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)n(Cc2ccccc2)c1C 533428949 ITTLPYYTTFNEDS-LJQANCHMSA-N 428.558 2.330 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(CCc3ccco3)n2C[C@@H]2CCCO2)CC1 563291103 ZXAMRWMVBHBOJF-FQEVSTJZSA-N 433.516 2.429 30 10 IEEE N#Cc1ccnc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 571192484 ZZKJPINZQLIROR-UHFFFAOYSA-N 433.390 2.248 30 10 IEEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1ccc(C#N)c(OC)c1 573528465 HTZQVWZOQHCEHI-UHFFFAOYSA-N 433.486 2.317 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(F)cc1 603787662 ZBFFIBJMADNXIN-UHFFFAOYSA-N 439.899 2.473 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(C)C)c2=O)cc1[N+](=O)[O-] 609311301 GTRUUFCDEFQJLJ-UHFFFAOYSA-N 429.498 2.211 30 10 IEEE COc1cccc(Cn2nccc2NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1OC 611130209 CPLUFLFFKRNMCR-UHFFFAOYSA-N 437.431 2.214 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1Cc1ccccc1 728557059 CVTSKIFGACGMSS-UHFFFAOYSA-N 446.576 2.202 30 10 IEEE N#Cc1ccc(OC2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 728929244 BEHXYDSKXVUNHX-UHFFFAOYSA-N 439.516 2.077 30 10 IEEE Cc1cc(=O)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1-c1cccc(C(F)(F)F)c1 732652335 WLRGYNBZTRVROF-QGZVFWFLSA-N 431.418 2.372 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 745061480 NQSSNKYFJBKIDX-LJQANCHMSA-N 425.420 2.369 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1nc2ccccc2n1CCCn1ccnc1 746214828 BWCDGCONJKWYAH-QZQOTICOSA-N 433.472 2.178 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 748065280 KVFPDGSKMNTMQM-UHFFFAOYSA-N 436.455 2.447 30 10 IEEE CN(Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)C(=O)OC(C)(C)C 749645688 KXZXHEXVNSSRQL-IBGZPJMESA-N 441.532 2.191 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 754994587 OIHGRIREYCKAKQ-IBGZPJMESA-N 444.532 2.049 30 10 IEEE Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 756779927 LMTGHTNAQVPZQX-PZJWPPBQSA-N 432.528 2.255 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CN(C)C)C(=O)O 757426999 BCJAMDBBDWLUEO-FGZHOGPDSA-N 449.507 2.048 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 763595939 RHPGTGGKUWLOSM-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 763876555 URUILIGSTGMEPT-LLVKDONJSA-N 447.282 2.029 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCCN1C(=O)OC(C)(C)C 764664971 KMXUJFFUNLRGFR-MBSDFSHPSA-N 426.517 2.486 30 10 IEEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766415230 KQIMNBPJZOHZDR-GOSISDBHSA-N 444.536 2.124 30 10 IEEE COc1ccc(C#N)cc1COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 772262654 LZIRSPWHSPPIKB-UHFFFAOYSA-N 425.260 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 777097673 AVQLXKHTWDACTR-UHFFFAOYSA-N 429.521 2.018 30 10 IEEE C=CCOCCNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 780255853 OADFENQNEYNUNX-GOSISDBHSA-N 444.557 2.432 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Oc3cccnc3C#N)cc2)C1 795282054 AISCMALLJCXMQA-GASCZTMLSA-N 435.527 2.388 30 10 IEEE CC(=NNc1nc(-c2ccncc2)no1)c1ccc(Br)c(S(N)(=O)=O)c1 797403095 ZLICOZVFQGROJA-UHFFFAOYSA-N 437.279 2.378 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCC[C@@H]2C)cn1 798362817 LDEVHUVPFSSYBG-LZLYRXPVSA-N 434.610 2.339 30 10 IEEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801290989 MEMZMCFAVWBPEU-OAQYLSRUSA-N 438.507 2.265 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 807466315 TUYSDHLQWRWHDA-GOSISDBHSA-N 427.526 2.002 30 10 IEEE NS(=O)(=O)c1ccc(C=NNC(=S)NCCc2cccs2)cc1Br 807961264 JTSFZXXGOXIYOT-UHFFFAOYSA-N 447.405 2.199 30 10 IEEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 812206052 SXNTYRFRNAZDGU-PYTPGESOSA-N 427.505 2.039 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1C[C@@H]1CCCO1 812251177 MPASASHAJGKVDW-MJGOQNOKSA-N 443.573 2.367 30 10 IEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO1)[C@H]1CCc2ccccc21 812303511 ALVCXHHMQUFHSM-DYXWJJEUSA-N 440.569 2.486 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc1 814417767 MQRHXSPEKFSMMR-OAHLLOKOSA-N 438.484 2.184 30 10 IEEE Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cn(C)c(=O)n(C)c1=O 839392616 MHFCIMKLQAIQMY-UHFFFAOYSA-N 441.900 2.366 30 10 IEEE CCOc1ccc(-n2ncc(C(=O)[C@@H](C#N)C(=O)NCCc3ccc(OC)cc3)c2C)nn1 917034902 NGRSVXUHNUZCFI-GOSISDBHSA-N 448.483 2.059 30 10 IEEE N#Cc1cccc2c1CCCN2C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1130568919 HJWIUIVBFNWYJC-UHFFFAOYSA-N 439.537 2.491 30 10 IEEE N#C[C@]12CN(C(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1134648996 BKWUZHPAMTUTDP-APPDUMDISA-N 442.394 2.041 30 10 IEEE N#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cc1 1141447260 AXQSDOLXBDSWGT-QGZVFWFLSA-N 437.315 2.139 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccncc2OCC(F)(F)F)s1 1155670259 FBTNZCYNKCJZGD-UHFFFAOYSA-N 449.476 2.407 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1176586651 DSCSVZHZJOLQTK-FQEVSTJZSA-N 428.533 2.401 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c(F)cc(O)cc3F)C2=O)cc1 1178784758 FAPAWVKLKOVAMK-SFHVURJKSA-N 428.395 2.106 30 10 IEEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1198420914 BPCKFFQBLNZSGA-UZLBHIALSA-N 449.393 2.225 30 10 IEEE C#CCCS(=O)(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1212136851 XQPMRWGNDKXTFQ-UHFFFAOYSA-N 435.590 2.489 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3c4ccccc4OC[C@@H]3F)CC2)cc1 1248656641 MAELZZJEBCYIEX-AZUAARDMSA-N 444.488 2.046 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286340370 ZDAHRZKSGAIWFL-IBGZPJMESA-N 436.516 2.134 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388396 OODAUIIZICPFKY-UTKZUKDTSA-N 432.546 2.288 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1286391462 IVFJITODHOLRHL-SFHVURJKSA-N 441.582 2.309 30 10 IEEE C#CCN(c1nnc(CC)n1CC1(c2cccc(OC)c2)CC1)[C@H]1CCS(=O)(=O)C1 1286395054 QKYFUICEOIYQRZ-SFHVURJKSA-N 428.558 2.208 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1286445650 ADEWEONAIYPGMU-IBGZPJMESA-N 446.573 2.022 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1286446110 DORDFNWXJUFBLU-HUUCEWRRSA-N 433.603 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)SC)CC1 1286495245 XXWRDYQCOKZACP-CQSZACIVSA-N 432.619 2.351 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1286517679 UVMVTXCMPVVNMO-HRAATJIYSA-N 431.562 2.327 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1Cc1ccc(C#N)o1 1292116683 SWJLYFKICKUKIG-UHFFFAOYSA-N 448.531 2.431 30 10 IEEE CNc1cc(I)ccc1C(=O)NCc1ccc(C(=O)NO)cc1 1297055044 YZSXETGQBXUVLF-UHFFFAOYSA-N 425.226 2.382 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300495103 CSPPLNWCANIBJP-RBUKOAKNSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(OC)c(F)c1 1300511947 DZTHCKZGQUSAKT-QHCPKHFHSA-N 426.492 2.393 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(F)c2)CC1 1300685248 KEDRPHPTKKQUHN-QHCPKHFHSA-N 427.524 2.261 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nc(C)c(C)s2)CC1 1300685479 OXQZVPPFKIOCNM-QFIPXVFZSA-N 444.605 2.196 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1300699933 JUMHVMCVUABFMI-XXBNENTESA-N 427.549 2.045 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300843758 FMNBOYCWFNSJSO-CYBMUJFWSA-N 429.326 2.441 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301155717 SIOBMNMCVNKTQS-RBUKOAKNSA-N 430.597 2.160 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301493457 ZIFKHKOKCYYHPV-SFHVURJKSA-N 447.543 2.100 30 10 IEEE CSCCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1302810225 VYVRJXCWEKIYQJ-UHFFFAOYSA-N 439.593 2.277 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOC(C)C)n1 1304755863 VWRSOQDZQNJWMN-UHFFFAOYSA-N 436.520 2.100 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ncnn1-c1ccccc1 1316101132 HKOCNBTVEIKYSV-GOSISDBHSA-N 436.520 2.168 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOCCCO)C1 1316527243 JMVZAYUANVHGRT-IBGZPJMESA-N 425.411 2.387 30 10 IEEE C=CS(=O)(=O)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1335259765 KNCHUTGROAVKKO-LVZFUZTISA-N 427.548 2.167 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2c(Br)cnn2C)c1 1355670057 ZWVQNCOEPAYCDI-XSFVSMFZSA-N 440.323 2.248 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1359030364 UTPGITGLALDNHF-SFTDATJTSA-N 446.640 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](CC)OC)CC1 1359031275 WKBYZSFKAUOZLK-GOSISDBHSA-N 443.548 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C)on2)CC1 1359047161 UHPIBPXFEWKPNE-UHFFFAOYSA-N 448.527 2.210 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359188107 GFSFMAWNPUALAC-GVDBMIGSSA-N 426.583 2.023 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)nn1C 1359233066 PJWHPSSCMCDJCU-UHFFFAOYSA-N 428.566 2.259 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1359238689 UDYFTHDZNLJKPZ-UHFFFAOYSA-N 437.548 2.459 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359313350 KNGBJMZSWIHTOU-SJLPKXTDSA-N 433.578 2.463 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@@H](C)[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1452145501 DESZWJZYBOAMDM-ZACQAIPSSA-N 449.573 2.457 30 10 IEEE C=CCCC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OC 1455835961 NNGSXSIQGCWIHH-HNNXBMFYSA-N 432.336 2.378 30 10 IEEE CCOC(=O)c1nc(=N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Br)c[nH]1 1458310601 OOBXLSMHCDJBIC-HNNXBMFYSA-N 444.289 2.317 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CN(c4ccc(F)cc4)C3=O)CC2=O)cc1Cl 1466795359 ZNYXGLRQBOPGLV-SCLBCKFNSA-N 426.835 2.235 30 10 IEEE C#C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)c1ccc(Br)cc1 1468451311 PPYGAUYGCGAHAZ-NVXWUHKLSA-N 443.301 2.430 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(n2nncc2I)CC1 1470007230 IPTKDFHWCXZCRO-WFASDCNBSA-N 445.305 2.210 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)CC2)nc1 1471037599 DCKOWCLJPAJGBC-QGZVFWFLSA-N 442.882 2.383 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1472245856 ZIVXKGLMYFPONV-ZACQAIPSSA-N 448.545 2.067 30 10 IEEE COC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(F)c1Cl 1472320056 DAMLLFWLTOTXRN-JTQLQIEISA-N 439.852 2.443 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@]3(CCSc4ccccc43)C2=O)c1 1473083493 QUBDJWUWVLJMCR-QFIPXVFZSA-N 434.477 2.259 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CCOc3cccc(OC)c3)CC2)c1 1473294839 BNIBQJUXEQHCBQ-UHFFFAOYSA-N 436.512 2.021 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1476412680 GELSPXKGGPKCNA-OLZOCXBDSA-N 446.451 2.295 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](F)COC)C2)CC1 1502334609 LRQIUDMVDDTEKK-LEWJYISDSA-N 441.555 2.017 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2([S@@](C)=O)CC2)c1 1507549330 GBTIAYGYBLXVSG-JGCGQSQUSA-N 448.552 2.307 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1507588921 SDLCVWTWIYJYSI-VQIMIIECSA-N 432.521 2.311 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(c2ccccc2OC)C1 1507637309 JELZWNOLNDCJRB-LJQANCHMSA-N 434.544 2.024 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507755194 SBNZDGAWZQKYKP-UHFFFAOYSA-N 445.593 2.154 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC=C(C)CC1 1508074261 RNWKRUSYDSYXCN-UHFFFAOYSA-N 427.505 2.430 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1508138096 WEKOEQATFDSNLB-KRWDZBQOSA-N 441.561 2.058 30 10 IEEE Cc1n[nH]cc1CCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1510444006 ULEDKRNMAOTQIZ-RTWAWAEBSA-N 431.516 2.425 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC[C@@](C)(O)c3ccccc3)CC2)c1C#N 1511660866 AKGYAYYMOIRVCW-HSZRJFAPSA-N 434.548 2.125 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511937344 PHLZAESGGKVZEA-ZZEZOPTASA-N 425.493 2.313 30 10 IEEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1516918725 JVFIIJDIVLJFRR-FWIXPWDUSA-N 429.546 2.348 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@@H]1CCCO1 1519436727 OMIYLYHVNZNVTQ-NTLWEQJWSA-N 437.516 2.030 30 10 IEEE COC(=O)[C@H](CCC(=O)Nc1cc(C)nn1CCC#N)NC(=O)OCc1ccccc1 1526853244 CVZLHVMBTSXDQJ-KRWDZBQOSA-N 427.461 2.292 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCn4c(cnc4C(F)(F)F)C3)C2=O)cc1 1536991352 MEHZJNHCTSACAN-HNNXBMFYSA-N 446.389 2.021 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1539014853 MXIKDMSTNCIWDK-SJORKVTESA-N 428.558 2.379 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)cc1OC 1539391840 IPEVQECOZAKYFY-UHFFFAOYSA-N 431.924 2.310 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1539462321 SUHAFMPHLUVJRJ-GOSISDBHSA-N 442.539 2.056 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539892324 YNKNLGUGVUYVTI-LJQANCHMSA-N 430.578 2.090 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1540164464 PLEAEXIBXKVWQP-KRWDZBQOSA-N 436.516 2.269 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540865129 WNPVDHSLKJJMSQ-LJQANCHMSA-N 444.967 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(OC)C1 1540867231 PAMWAHWBYRCODE-QFIPXVFZSA-N 427.505 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OCCC)CC1 1540869635 SGARLHGUGIVGHX-INIZCTEOSA-N 444.536 2.094 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540872075 BMHZLUMXNNZQDO-QGZVFWFLSA-N 439.495 2.386 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC)C1 1540905193 RFPGLZYEUDDACL-QFBILLFUSA-N 448.545 2.007 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1541112041 DPMPIRMRSWRBFM-HMXCVIKNSA-N 435.576 2.390 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1541744945 WNKMWQURIQXWBJ-SFTDATJTSA-N 441.532 2.252 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1547749783 CBSQJOLMZOEWTP-GOSISDBHSA-N 426.521 2.057 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C(F)(F)F 1555946689 WRAZDLXMONHOLQ-TXXBVZAJSA-N 449.437 2.434 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCOc2ccc(Cl)cn2)c1 1555985826 AYWXXCCLPGIUIV-MRXNPFEDSA-N 437.891 2.256 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1 1562285046 IZTZVPGBBVPTNP-UHFFFAOYSA-N 434.562 2.263 30 10 IEEE N#CC1(NC(=O)[C@@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 1583556064 VCVBRVZWPFLXSM-HXUWFJFHSA-N 432.480 2.332 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1587600096 ULNNHNWKRWYGBB-GBESFXJTSA-N 433.564 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCN1CCN(CC)CC1 1587672388 CDFLSYYAPYINLC-IBGZPJMESA-N 428.556 2.482 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588044707 BEHBKPDREJEZHO-IBGZPJMESA-N 443.617 2.468 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588064563 KOPLMHJAWHNCHD-DENIHFKCSA-N 434.606 2.453 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC(F)(F)C2)CC1 1588762859 ODXHBCLGZIQFCM-UHFFFAOYSA-N 449.527 2.149 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCSCC)CC1 1588961557 DIOCEJKGBDNYLZ-UHFFFAOYSA-N 443.621 2.249 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1594511631 SFJOKLJFUYUJIG-UHFFFAOYSA-N 437.592 2.267 30 10 IEEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594616980 VKSVPRZQTMRDOF-SFHVURJKSA-N 432.569 2.049 30 10 IEEE Cn1nc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1Br 1595341187 RMGBTTDJNXSYPB-UHFFFAOYSA-N 428.294 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CC1CCC1 1595496817 IFCBUOHVJFENRN-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595595046 QUCVXMJQLNHIGL-QGZVFWFLSA-N 443.523 2.430 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1595664854 LJIPCTHSJGPVKX-CEXWTWQISA-N 448.612 2.085 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C(F)(F)C23CCC3)C1 1595674916 VSCQXFKUGXKNHB-ZNMIVQPWSA-N 445.536 2.105 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1cncs1)Cc1cncs1 1598047349 KMIMFRXITAIAKI-ZDUSSCGKSA-N 447.567 2.367 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O 1618022193 QIQKVUAMLAWXRJ-PMACEKPBSA-N 444.576 2.257 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1 1618365644 KBAGRQVUMYRGCX-HXUWFJFHSA-N 442.589 2.393 30 10 IEEE COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc1OC 1619261910 QRDMOWGFHWIVBQ-QGZVFWFLSA-N 436.472 2.396 30 10 IEEE COC[C@H](F)Cn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619615820 KUNPAEAAXPNFHD-GOSISDBHSA-N 438.511 2.170 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@H]1C 1619968340 GQMRWKPKEWDJTI-JLHGSKIFSA-N 429.521 2.050 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCS(=O)(=O)CC2CC2)cc1 1620351501 CAWWLEHHHMOGLM-UHFFFAOYSA-N 447.586 2.107 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)c1ccc(F)cc1 1622167766 OLWMVRXJCRQZLO-AWEZNQCLSA-N 429.242 2.479 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c(C#N)cn1CC 1625717728 APQONVPBPHMJBP-INIZCTEOSA-N 430.509 2.358 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1627790233 LXAZUJKXCFVIFI-QZTJIDSGSA-N 437.456 2.401 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1630276657 OQLIOKFALXUKLV-YCRPNKLZSA-N 425.526 2.342 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1630559659 GUMCXVJNMUUHSA-UHFFFAOYSA-N 444.576 2.469 30 10 IEEE C=CC1(CC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CN(C(=O)OC(C)(C)C)C1 1632462980 ZJBFRCRQLHGULA-UHFFFAOYSA-N 442.516 2.168 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN1C1CCCC1 1635076896 SIKFOPSQPLHATI-HKUYNNGSSA-N 432.590 2.417 30 10 IEEE CN1C[C@H](N(C)C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCC1=O 1637952374 LZRURNXHJQGPJU-XLIONFOSSA-N 426.517 2.472 30 10 IEEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1639073326 NYPXCRBAKCIQML-FQEVSTJZSA-N 438.513 2.009 30 10 IEEE Cc1ccc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(C)c1 1641117687 HBUSBDZMVPJBKW-SFHVURJKSA-N 440.569 2.469 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN(C4CCOCC4)CC3)CC2=O)cc1Cl 1641171902 CGOPWIRLWFIEPO-INIZCTEOSA-N 430.936 2.324 30 10 IEEE C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1641405861 ZKXRUPOCYDZCBY-OPAMFIHVSA-N 446.573 2.498 30 10 IEEE C=CC[S@@](=O)(=NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccccc1 1648459270 WPLQOJFVPBFJPT-LJAQVGFWSA-N 449.554 2.024 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)C1 1651802161 RMQUJTSUJIMMAA-INIZCTEOSA-N 425.533 2.104 30 10 IEEE C[C@](CO)(Cc1ccccc1F)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1656292869 GEFNAISAKFJARA-DENIHFKCSA-N 430.549 2.179 30 10 IEEE Cn1cc(Br)c(=O)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1670623903 DUUSCJVEDNXZGW-ZYHUDNBSSA-N 440.298 2.028 30 10 IEEE C[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC2(CCC2)C1 1687655062 FHRMKNJHPVXOSQ-NRFANRHFSA-N 446.573 2.314 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1689833331 ICBGMXYRCGPRCW-FTRWYGJKSA-N 444.532 2.480 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689879587 AQJQGWBNTFZZFC-XMMPIXPASA-N 445.527 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1ccnc1C 1690015738 WKTVOFXPJDEFSK-UHFFFAOYSA-N 426.484 2.262 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccnc2)C(C)C)CC1 1690109447 RPRVWRRVMVXXMM-NRFANRHFSA-N 435.576 2.104 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCCCO)CC1 1690142323 LQWCTLZOVLNHGO-UHFFFAOYSA-N 425.533 2.082 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)CCC)CC1 1690663555 ZWWNUBUEQMBRGH-UHFFFAOYSA-N 440.548 2.141 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](COC)O[C@H](C)C2)cc1 1690678433 WBYOKNZIQGLARR-XLIONFOSSA-N 443.548 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)OC 1690717478 HEIQWBZWAJRHNT-UHFFFAOYSA-N 445.339 2.315 30 10 IEEE CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H](C)C1CCC1 1695546693 WBYZUIVCXAHHND-DSGGYQJVSA-N 438.536 2.220 30 10 IEEE CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1697024416 IPFIWTZXBWZBEK-IBGZPJMESA-N 442.589 2.426 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C)ccc1OC(C)C 1697255573 CVAKRVQRUWETRO-WMZOPIPTSA-N 428.537 2.420 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1)OC 1697767114 MJCZPJKTLKPPAR-TZIWHRDSSA-N 440.548 2.065 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1698284577 DZYHQGRLNYZAIS-SIKLNZKXSA-N 442.589 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705476771 FCGORGPZDJFRSL-BBWFWOEESA-N 449.552 2.297 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1705541200 CFVMURPHYGEKIH-UYAOXDASSA-N 444.605 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1705596149 UVVDXUHRXUBGEK-GOSISDBHSA-N 431.544 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC(=O)N[C@H](C)CC)CC1 1705646156 STYCETCEYKSPAA-GOSISDBHSA-N 436.560 2.216 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1705647183 BXUYQPIISNFTEY-FPOVZHCZSA-N 436.560 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(C(C)(C)C)no2)CC1 1705652879 QJGQGMKVDXFRGL-GOSISDBHSA-N 440.548 2.429 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1705866856 BODPCASOFGTDAZ-IBGZPJMESA-N 432.594 2.207 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C2CC2)C1 1705929023 JRXBCTQFOIMVCD-IIBYNOLFSA-N 431.562 2.212 30 10 IEEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1710891701 BYCRLOYPPUZEIT-FQEVSTJZSA-N 430.578 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1722396152 DMRDRQOOGABPFN-OAQYLSRUSA-N 436.579 2.497 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1722444711 MWBQVGYKGCSBLN-SFHVURJKSA-N 444.580 2.199 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722558766 XRZSJONKVOBMKT-AYOQOUSVSA-N 436.988 2.261 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722644991 WQAWXGHRYRRIKY-BRWVUGGUSA-N 425.599 2.100 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)cc1Br 1724322777 MCFUYLNBIVCZKC-CVEARBPZSA-N 448.321 2.160 30 10 IEEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cnnn2)cc1 1724457621 HDZVHIWTJPODCE-LJQANCHMSA-N 427.513 2.398 30 10 IEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1726750468 VVMSNYSGJUHPMR-XLIONFOSSA-N 427.505 2.149 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1729609095 CKILIDOBKKIZTA-UHFFFAOYSA-N 440.548 2.424 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C)(C#N)CC2)c1 1729737143 KBXSHXYHHHYABN-GOSISDBHSA-N 444.561 2.216 30 10 IEEE COc1cccc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1730240690 CGYJICSMHHUAAQ-NFBKMPQASA-N 441.532 2.299 30 10 IEEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1730486246 IMPUCGPSXDTJCF-HNNXBMFYSA-N 439.495 2.307 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740569845 RBEDJIUJMYEUHO-UHFFFAOYSA-N 432.594 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1N1CCCC1 1740629502 PWFOSBCIGLVPBN-UHFFFAOYSA-N 434.519 2.375 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cccc(C)c12 1740640431 MZTBYXHJTGDGAR-IBGZPJMESA-N 435.553 2.285 30 10 IEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](F)C1 1740684149 XFFSIPYQLQIOQD-SJORKVTESA-N 448.568 2.462 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1CCN(C(=O)OC)CC1 1740686484 JPKHTYYFZXBEQM-UHFFFAOYSA-N 431.562 2.495 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740724055 XEXGQTHNIWJIBN-ZWKOTPCHSA-N 427.578 2.391 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740794784 IEDACMRQYGSRGW-IBGZPJMESA-N 427.553 2.190 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740880970 SHTDKGWKIPUWSW-INIZCTEOSA-N 444.502 2.180 30 10 IEEE CC(C)CSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1741592414 PJNUKGBITJZDMT-INIZCTEOSA-N 429.550 2.433 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCCO)c(OC)c1 1748684501 KQEJCTRKKWZVDZ-KRWDZBQOSA-N 438.532 2.026 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(CCC)C1 1748956999 REWFVWNMQCDRBA-SFHVURJKSA-N 425.533 2.492 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2)n1 1748971180 GGPLMGVKTBODLV-NRFANRHFSA-N 447.543 2.069 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1749023673 UITKAYPAUFDFFH-MAUKXSAKSA-N 449.602 2.302 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCOC1 1749531887 NHLMNDBOVUMPJM-XMMPIXPASA-N 430.512 2.480 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C(=O)OC)C1 1749725615 SSPFFSNHVUVXKP-RTBURBONSA-N 446.573 2.420 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(F)(F)F 1750021487 BPBYNIMTVHMGPD-AWEZNQCLSA-N 439.442 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC 1760104192 UAOZXMBEAVWYMC-ZDUSSCGKSA-N 440.367 2.023 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760143704 PEMUJZUAZJYZRV-LEDOBFOHSA-N 442.564 2.291 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(OCCO)c(OC)c1 1760177687 WSHWVXICEZKGBA-UHFFFAOYSA-N 427.530 2.131 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1760249390 KOIJXUIUCIVZJM-NHCUHLMSSA-N 440.544 2.392 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)C(F)(F)F)CC1 1760269389 GWFLSVAKTQZWRF-OAHLLOKOSA-N 427.471 2.336 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1760275231 SIBFSLMSNXRMKR-MRXNPFEDSA-N 439.593 2.231 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760334308 ZJYPAMSIFBWPRS-UHFFFAOYSA-N 446.559 2.486 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760347295 PXLGHCVFPSDAID-UHFFFAOYSA-N 428.562 2.437 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760355864 YSTLCECZZAJFAS-OAQYLSRUSA-N 439.608 2.457 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)OC)C2)cc1 1760529450 GVEKCQKURKIHKJ-PKOBYXMFSA-N 439.516 2.232 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCC 1760553739 HHJBXKTWEKNJJT-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cs1 1761685185 JASNGJJAJALAJW-UHFFFAOYSA-N 437.529 2.370 30 10 IEEE COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1768596624 DTNBUMOUSBLKKO-OAQYLSRUSA-N 430.484 2.118 30 10 IEEE Cc1ccc([C@H]2[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC(=O)N2C)cc1 1851835609 UIDFPNLZDHFGJT-CJNGLKHVSA-N 431.436 2.385 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)c(F)c1 1851925508 GOOOYNFKUXDWBD-UHFFFAOYSA-N 447.488 2.047 30 10 IEEE COc1ccccc1-n1nnc(C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)c1C 1853181840 OBMYSAHGWQRWHD-UHFFFAOYSA-N 445.423 2.459 30 10 IEEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@@H]2C)cc1 1856359898 BFSFAIHDMIAVLC-INIZCTEOSA-N 425.510 2.491 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(Cl)cc3F)C(=O)O2)CC1 1856597320 NLHXKOFHXXAXOO-HNNXBMFYSA-N 429.857 2.005 30 10 IEEE C=CCN(CC=C)C(=O)Nc1ncccc1OCC(=O)NS(=O)(=O)c1ccc(C)cc1 1858815147 DSAAQCGPQIDCSF-UHFFFAOYSA-N 444.513 2.480 30 10 IEEE CC[C@H](C)NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977823 UIYUGYXKRSPIIJ-HNNXBMFYSA-N 428.514 2.317 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862692239 HTCFWKSQDQCVFJ-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870387045 NGNLNPMXGFJTLQ-OAQYLSRUSA-N 445.947 2.497 30 10 IEEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870460768 LSDQXXMGPCSYDB-UHFFFAOYSA-N 447.576 2.401 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc2c(c1)OCCO2 1874500984 JVDDCNBOCYKUNH-LSHDLFTRSA-N 443.485 2.079 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1890983887 DIKBZUSCICGDOG-UYAOXDASSA-N 437.993 2.439 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060626430 WZJZYUIMSXIQPN-WBMJQRKESA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141677810 JMOYUPGAABTLHZ-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2229103041 SDXLCXMRZORVOQ-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2241485930 GXKBHRWQZDPALY-UHFFFAOYSA-N 431.323 2.099 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C)C(=O)OC(C)(C)C 2243419127 RWNNSQASJIHIJJ-UHFFFAOYSA-N 425.360 2.347 30 10 IEEE C[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247921958 YLILYFKNXVDLHK-LBPRGKRZSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255619369 OPCWRCSFQHKSSA-CYBMUJFWSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2255844431 WVDPUDVFBVAOBF-ZDUSSCGKSA-N 448.354 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267101711 ZRMXGIZJDNAUHS-OAHLLOKOSA-N 446.357 2.371 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C 2267159461 QXEKCLYOCAJDNX-HKUYNNGSSA-N 438.381 2.421 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C(F)F)[nH]n2)OC1(C)C 2267190983 VZQCCOFUCTXYIZ-NVXWUHKLSA-N 446.307 2.204 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2267272703 CBJRAXCHLHYZIB-QAPCUYQASA-N 443.353 2.462 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C 2267539473 QUDKIRHPJQNQED-HOCLYGCPSA-N 448.373 2.330 30 10 IEEE C=CC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2CC)CN(C(=O)OC(C)(C)C)C1 2267540321 WRMRYIIAYLVQJD-UHFFFAOYSA-N 446.357 2.108 30 10 IEEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267805565 KZWPDHSPZAZKLB-UHFFFAOYSA-N 448.325 2.183 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268724924 PYIIQEVYFCKIDP-MRXNPFEDSA-N 444.341 2.329 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271392533 DUDCUAGRPFQDTH-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE Cc1cc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)sc1B1OC(C)(C)C(C)(C)O1 2282316848 ITGIBTINXPAOLR-AWEZNQCLSA-N 443.396 2.129 30 10 IEEE C[C@@H]1CC[C@@H](C2OCCO2)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282858591 ZKIGGFUIYNMNSB-HIFRSBDPSA-N 443.396 2.209 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)n1C 2337329149 YVSKBFFNVVJURB-DZGCQCFKSA-N 448.373 2.155 30 10 IEEE C=C(COCc1ccccc1)[C@H](OCCN)c1nc(Br)nn1CCOC 2353742177 KMEPICZBDVSGDO-INIZCTEOSA-N 425.327 2.476 30 10 IEEE C=C(C)CN1C(=O)COc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc21 12232189 MJQPIBBAOXGMDQ-UHFFFAOYSA-N 429.498 2.491 30 10 IEEE CCOC(=O)c1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCCO)C2=O)cc1 59446316 NSLZJICCBSHPTH-GOSISDBHSA-N 441.509 2.498 30 10 IEEE COC[C@@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@@H]2CC[C@H](O)[C@@]2(C)C[C@@H]1OC(C)=O 256452965 XLJORQYAOTYVQS-MQNNGPNPSA-N 430.453 2.328 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H](C)c3ncc(Br)cn3)CC2)c1C#N 432512587 HSAAAHWKWCWMSV-LLVKDONJSA-N 436.339 2.469 30 10 IEEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2cc(F)ccc21 435411730 NHBQOHZKAKKUKO-UHFFFAOYSA-N 426.473 2.336 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460943451 LMCMTMQMTDUTSH-FPOVZHCZSA-N 436.560 2.273 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@H]2CCCO2)o1 461145599 BGYGSUAJDRLMRY-NVXWUHKLSA-N 434.504 2.402 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 465819858 XELGUYXSTXXWMP-UHFFFAOYSA-N 441.919 2.238 30 10 IEEE C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)n1cnc(C#N)n1 467250986 NIVXXOHTBYGYJN-IERDGZPVSA-N 446.486 2.162 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 477251680 CYAONMDOJIBPDX-KSFYIVLOSA-N 425.510 2.273 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc3cc(Br)cnc23)CC1 486861580 AVUXYPDKOBKCKF-UHFFFAOYSA-N 432.322 2.449 30 10 IEEE CCOC(=O)c1ccn(-c2cccc(CNS(=O)(=O)c3cnc(C)c(C#N)c3)c2)n1 489798069 PQFVDFJCRZWSHS-UHFFFAOYSA-N 425.470 2.103 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 548894063 IBYIIALBLPLTOI-LJQANCHMSA-N 433.512 2.328 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@H]2CCCO2)n1 549521322 WTYHRVYNXHOEBK-SFHVURJKSA-N 447.547 2.068 30 10 IEEE CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1n1cccn1 564231864 RILUPFRUKBPWCT-ARFHVFGLSA-N 425.308 2.214 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N(C)Cc2ccccc2)nc1C 586302850 JVGTTWOHVQUNQE-PMERELPUSA-N 449.554 2.140 30 10 IEEE CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C)c2=O)c1 603990631 GFNHUKCOBIXGJJ-UHFFFAOYSA-N 433.533 2.245 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@H]1CCCO1 614904178 CESUGXNYMDOOGY-MRXNPFEDSA-N 448.491 2.418 30 10 IEEE C#CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 729331053 IZBMWSTYLGMQHX-CYBMUJFWSA-N 433.408 2.065 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cc1F 730730700 XRWCLYNWENNFNE-KRWDZBQOSA-N 449.508 2.022 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@]1(C)CCOC1 733078073 SJPXCDOIGPZDHE-XMSQKQJNSA-N 448.589 2.121 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 735069245 QGNBDYNJLSDWPB-KRWDZBQOSA-N 442.585 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 767916487 LRFNYHBCBYMWOB-CRGRJFMMSA-N 428.489 2.069 30 10 IEEE COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 769872926 NLMFYYHJHVTBSR-UHFFFAOYSA-N 445.610 2.041 30 10 IEEE C#CCN(C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 774261616 BNMLSHAFVXDSEJ-TXPKVOOTSA-N 441.956 2.304 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 779420815 ZKVMOIMKGVWCNC-NSISKUIASA-N 439.528 2.321 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)c1 784124909 FQOZXTGLPKDMCG-HKUYNNGSSA-N 432.590 2.421 30 10 IEEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OCc2ccccc2)c1 785991561 OVQNZMSUQNIDGS-IBGZPJMESA-N 434.496 2.411 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)n(C2CCCC2)c1C 790674842 OBVXOLMNSMKQJP-QHCPKHFHSA-N 440.500 2.186 30 10 IEEE C[C@@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 790689602 ZOBXYLFPQVNJKF-JLCFBVMHSA-N 443.525 2.372 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)n(Cc2ccccc2)c1C 798746452 ULKQZPQAHGHGIZ-MRXNPFEDSA-N 431.456 2.231 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@@H]2COC3(CCOCC3)O2)c1 803196857 YJDLUQQJGHLBBC-GOSISDBHSA-N 437.525 2.481 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 804026111 XRQLPSQSAWVRPE-WBVHZDCISA-N 444.532 2.335 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 804453236 VYUGYXPOEWTPPR-LJQANCHMSA-N 442.537 2.081 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 811547328 YIKFZZBYSDSRDR-UHFFFAOYSA-N 440.525 2.052 30 10 IEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cn1 1084458262 YDSBPKPXSDTHPN-UHFFFAOYSA-N 425.522 2.168 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N[C@@H](C#N)c2cccc(OC)c2OC)cs1)C(N)=O 1127853265 FVNPTHYRDGCFOY-ZFWWWQNUSA-N 434.543 2.440 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1132643341 KCLMHUVLEZXSAH-OAQYLSRUSA-N 434.521 2.114 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1134995971 LASYUIWZOUKPDV-ACJLOTCBSA-N 445.463 2.176 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)[C@@H](CO)C1CC1 1137843714 MRZCHQCEYHSDTP-FQEVSTJZSA-N 441.553 2.305 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)c1 1141896791 SFQXUBZMBBMTHL-UHFFFAOYSA-N 425.489 2.137 30 10 IEEE C[C@H](CC(=O)N1CCC(C)(N2CCCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1154304314 MQPUZNMAWYCRKF-QGZVFWFLSA-N 432.590 2.371 30 10 IEEE C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 1157534715 XYFPLKODFWBXQT-KSSFIOAISA-N 447.557 2.474 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1cc[nH]n1 1168195638 PCXCPKFPNOWFPE-QFIPXVFZSA-N 444.488 2.067 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 1175992574 QZNSOLWNMFMBSE-NXLVEIQXSA-N 426.561 2.453 30 10 IEEE CC(C)(CCS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)S(C)(=O)=O 1190076712 CMNAOFUTZZOIKQ-UHFFFAOYSA-N 432.539 2.084 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)c1 1190732742 FFUOUKQKDCYFFA-UHFFFAOYSA-N 441.553 2.414 30 10 IEEE C#Cc1ccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)cc1 1214260793 NBRUFYBJRZMXBL-UHFFFAOYSA-N 443.525 2.409 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1 1214687570 SGANTPNZQVFULK-VQTJNVASSA-N 442.541 2.226 30 10 IEEE CCOC(=O)[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@@H]1CCCOC1 1268900523 CJHVFCRORLMOHT-PXAZEXFGSA-N 425.279 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)cc1C 1286420157 MVSFZAIWKKJUIB-LJQANCHMSA-N 427.574 2.211 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCOc2ccc(F)cc2)CC1 1286477259 UIJHKYOVIUIYAT-UHFFFAOYSA-N 435.507 2.489 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1286485018 AMOOXWRKRXZWAU-NQIIRXRSSA-N 449.477 2.335 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286600881 DUPRWUIMNCFHOJ-UFYCRDLUSA-N 430.553 2.297 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286603730 JEPKVSGAUWLDDG-FQEVSTJZSA-N 435.532 2.450 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1286789044 NTVMMBCPQOEIKU-UHFFFAOYSA-N 449.534 2.340 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCO[C@@H](C)C2)C1 1286807261 ADFNRSUAFKYPHI-OALUTQOASA-N 427.553 2.017 30 10 IEEE CC(C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1287918854 FXHGKJHNJIXNHJ-QFIPXVFZSA-N 437.592 2.316 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2nccs2)CCOC1 1288320705 CCALNORQGMEIBV-JXFKEZNVSA-N 432.550 2.137 30 10 IEEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1294658283 OKOMYIKVUWYJIU-UGKGYDQZSA-N 448.637 2.432 30 10 IEEE CCOCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297015494 SCSHYJPTSXPWED-SXLOBPIMSA-N 446.596 2.241 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4nc(O)n[nH]4)C3)C2)C1 1297025561 WBFVBGCKOOGFDP-DNMKQRRRSA-N 430.509 2.003 30 10 IEEE CO[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1299571678 QLTKAGDHHHAXGZ-OAHLLOKOSA-N 438.561 2.262 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 1300019487 YBESWENXYSQLGB-JOCHJYFZSA-N 446.555 2.119 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CCCC2)c1 1300333665 BIPVTIHQWMLHID-FQEVSTJZSA-N 436.560 2.324 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCS(C)(=O)=O)C1CC1 1300385996 JZVWSGKSUSAXIY-UHFFFAOYSA-N 440.367 2.463 30 10 IEEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCN(C)S(=O)(=O)CC 1300472106 XWCHYPLWMJKLNG-UHFFFAOYSA-N 428.562 2.022 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1300487053 DZXSYNXHKDVHGK-MRXNPFEDSA-N 431.468 2.226 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2cnn(CCOC)c2)CC1 1300682020 DGULGAVKJXRRAZ-QHCPKHFHSA-N 447.587 2.466 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)cc1OC 1300756340 KDPSJQRFQNAAOA-QGZVFWFLSA-N 429.546 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301491606 LWBADJOKTOHJFG-MRXNPFEDSA-N 443.895 2.170 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)CC1 1301497393 VGQDIGKKGUYYKA-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304867057 PVMDOUSUVFHREW-IAFNSTAXSA-N 448.936 2.406 30 10 IEEE Cn1c(=O)[nH]c(NCCOc2ccc(Br)cc2C(F)(F)F)c(C#N)c1=O 1307086078 OMSXBIWZPLEHDK-UHFFFAOYSA-N 433.184 2.217 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CC[C@H](c4ccccc4)[C@H](NC(=O)C(F)(F)F)C3)nc12 1307946401 JLBNUNAEOVWZDX-IAGOWNOFSA-N 444.417 2.343 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1314054521 IYPMEDIGHMQPDH-MJGOQNOKSA-N 438.532 2.259 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(C)=O 1314221468 ZCEMUVIUZIZECS-NRFANRHFSA-N 430.484 2.224 30 10 IEEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1314718203 BJRQQHXEBMHZBL-AWEZNQCLSA-N 442.467 2.097 30 10 IEEE C#CCN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1352905765 UGJJNAIVMPISKP-INIZCTEOSA-N 425.348 2.312 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1 1357823194 GYWKNKTZQWXFLM-FGZHOGPDSA-N 449.507 2.491 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCCCC2)c1 1358902043 CXHQTBQSRKCONI-UHFFFAOYSA-N 446.559 2.221 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1358918966 NBVZXEMEXOWYOJ-IRXDYDNUSA-N 430.553 2.277 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCC)c(OC)c1 1358968738 WRSXXCHLOGJGPX-UHFFFAOYSA-N 444.495 2.454 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1359001522 WVRNDFVJSKRCSW-HNNXBMFYSA-N 425.468 2.170 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Cl)cc2)CC1 1359038304 QWWUUSIBYDCBJO-UHFFFAOYSA-N 426.952 2.052 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1359131188 KIXLFUOMVNDCDP-MRXNPFEDSA-N 431.566 2.427 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359157814 UZXCWCMQTSQFFI-PXNSSMCTSA-N 436.944 2.173 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2CC)CC1 1359164933 CZZHLJUZOZYRTF-FQEVSTJZSA-N 445.589 2.378 30 10 IEEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359248407 MQMVMCGCLJJUPZ-QGZVFWFLSA-N 426.546 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)CN(C)C)C1 1359318371 CSCHIEFVDUEXPC-MRXNPFEDSA-N 430.553 2.375 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(Br)n1 1360193067 OMAOGWKSSXBMSN-UHFFFAOYSA-N 432.326 2.362 30 10 IEEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)CC3(C#N)CCCCC3)cc2)CC1 1360275856 UYBZSRSRGLBJGR-UHFFFAOYSA-N 433.530 2.174 30 10 IEEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1457349652 YTBHKOVXANXJBP-DOTOQJQBSA-N 435.546 2.134 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)s1 1465388412 KLQDQEPWFRQJIW-QGZVFWFLSA-N 447.582 2.176 30 10 IEEE CCOC(=O)Cn1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 1466967669 DAGKFHGELXOMEU-UHFFFAOYSA-N 433.472 2.220 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CCS2(=O)=O 1471537848 DYRWOPGNNACZHG-KWGJUECJSA-N 433.530 2.160 30 10 IEEE C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1472151459 WADIAKJCWQLYOL-NSHDSACASA-N 427.320 2.493 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1504451850 BTKAHVFLJNXFDG-UHFFFAOYSA-N 436.472 2.047 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1507581708 YJYJDMNDOSFMSP-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1507634720 LUVLORDCEUZPBE-INIZCTEOSA-N 430.521 2.267 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)CN1CCOCC1 1507704937 MRRMGXAOKLDINW-KRWDZBQOSA-N 432.956 2.048 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1507733029 NCUUUOJYHVZLIX-UHFFFAOYSA-N 432.981 2.067 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1507739248 CYFYTGHLPOLIIK-GHTZIAJQSA-N 438.576 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)OC)CC1 1507803847 HIRHSNJUAJKFQI-UHOSZYNNSA-N 436.553 2.373 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1507806872 OREGXOROAVWTGC-HKUYNNGSSA-N 430.578 2.373 30 10 IEEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507821459 CPTHONSLKLGYFK-QFIPXVFZSA-N 448.589 2.024 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(C)=O)CC1 1507840705 OMXACPIFKLBVSZ-UHFFFAOYSA-N 441.532 2.414 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507841560 XDWYIXANLYLIPO-UHFFFAOYSA-N 438.576 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCOC2)C1 1508126621 IGNQBTXVYVHXEJ-XXBNENTESA-N 428.533 2.352 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1F 1520680140 UJJDLDQOAPUBIP-OLMNPRSZSA-N 432.525 2.035 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1525734227 BSSDOGFJFPLCBF-GOEBONIOSA-N 448.449 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)CC 1539305048 NKYXTVDZXHDOHC-UHFFFAOYSA-N 425.514 2.094 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539752039 ZYVHWHUZBOYJMV-FCHUYYIVSA-N 441.576 2.230 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCCOC)CC1 1539810405 VKKHWYCKKRLKFR-UHFFFAOYSA-N 432.956 2.386 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCc2ccco2)CC1 1539832047 PGAMXWJQPXOTAO-JOCHJYFZSA-N 429.521 2.385 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539963269 QDHBMUTWYULJON-KRWDZBQOSA-N 440.552 2.101 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1540013179 LQIQMQLPMPDYKU-INIZCTEOSA-N 443.577 2.276 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1540864364 XPLSANJNMNVFFH-SFTDATJTSA-N 449.559 2.224 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCC(=O)N2)C1 1540895953 CHYZKGHNNULXLT-RTBURBONSA-N 425.533 2.479 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCC1 1548308140 HIJMFNQXRHGTIV-UHFFFAOYSA-N 431.562 2.383 30 10 IEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)[C@@H](C)COC 1557472460 WDNBQGRODZZLRW-INIZCTEOSA-N 443.997 2.329 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3CCC(C(=O)OC)CC3)n[nH]2)c1C 1565615624 IAGVNJHABBCGOF-UHFFFAOYSA-N 428.537 2.081 30 10 IEEE COCCN1[C@@H](C)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H]1C 1570699459 YCCUEPRCEUSXDY-IDOUOTJPSA-N 434.581 2.341 30 10 IEEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(N2CCOCC2)cc1 1583675830 AGZRQBRVZFNUPY-HNNXBMFYSA-N 431.489 2.451 30 10 IEEE Cc1c(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc(Br)c1C#N 1585591445 VTXLCFFTCWBGGW-AGLUOJRNSA-N 432.274 2.119 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CNC(=O)c3ncccc3O)c2)c1 1587856235 WJSNTKVEHADMGP-UHFFFAOYSA-N 429.432 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H](C(F)F)N1CCOCC1 1588113971 XKZGBRLOPRMFGF-HXUWFJFHSA-N 438.482 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN(C(C)=O)C1 1588205160 FKRDQTNDSGVFGR-FQEVSTJZSA-N 447.539 2.438 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1588399011 LHTSBZVPTHSWDU-HXUWFJFHSA-N 425.533 2.361 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1589036231 ADTYSMDISNKERG-WIYYLYMNSA-N 436.585 2.340 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589513652 AXEYXQRQZFRXSP-ACRUOGEOSA-N 425.533 2.268 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1594498868 YHGFDYXEHWMWOC-SJORKVTESA-N 442.568 2.306 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1594510888 CZJCBHANRSRTPH-UHFFFAOYSA-N 437.592 2.267 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594533928 HEUJOWBIVNJPNR-HZPDHXFCSA-N 428.541 2.264 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594545014 PQLUDVYSQKNPTK-SFTDATJTSA-N 439.560 2.437 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1594943113 KNHYBPOYCKXVMV-UHFFFAOYSA-N 430.516 2.324 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1595218373 ITNAPUHWPSNPDK-LJQANCHMSA-N 443.573 2.097 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@H]1C 1595239543 MMWWAMFGCSVYHH-WCAVRKLYSA-N 425.533 2.004 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1595913907 PMPWDMPROWPQKL-QHCPKHFHSA-N 444.532 2.484 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1596821554 CZAZAOWFJADBCC-QZWWFDLISA-N 445.568 2.471 30 10 IEEE CC(=O)N1CCc2sc(C(=O)Cn3cc(C#N)c(I)n3)cc2C1 1614552925 KUITXOWBXFIYSG-UHFFFAOYSA-N 440.266 2.208 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1618460608 VJMGSRFKVJHKRX-HKUYNNGSSA-N 429.517 2.089 30 10 IEEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1618579652 GETPALBOSAQMRA-QPHCHLROSA-N 448.589 2.186 30 10 IEEE C=CCN1CCC(NS(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)CC1 1621762793 XBECJEDAHIYPLB-QHCPKHFHSA-N 436.397 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 1627277833 PQVBTSHTOOAFPB-QGZVFWFLSA-N 433.530 2.088 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1629547244 HHHJIHWDQJMZNR-LLUXXFGUSA-N 449.548 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCc2ccccc2N2CCOCC2)[C@H](C#N)C1 1635213494 DSBXIZBYWFDKDM-LJQANCHMSA-N 428.533 2.427 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc1C 1636316976 MWRSPERFZZHQSN-LJQANCHMSA-N 435.528 2.184 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 1636889090 MRTWPZNILLYQII-WJOKGBTCSA-N 445.541 2.354 30 10 IEEE CC(C)(C)OC(=O)c1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1O 1642603958 GOQDBOPOZXWKLG-UHFFFAOYSA-N 445.497 2.415 30 10 IEEE C#C[C@H](NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@H]1CCCO1 1645352016 PJSRRYPTVIMWBY-PKOBYXMFSA-N 439.965 2.224 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CCNC(=O)c2ccc(F)cc2)c(=O)c1C#N 1650978432 BYTWKMVKGFXGTL-UHFFFAOYSA-N 435.253 2.129 30 10 IEEE C[C@@]1(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)COC(=O)N1 1652065848 GSEIAZZKCLRLJW-QKKBWIMNSA-N 430.892 2.302 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1675987596 PONNLEUHIILPQQ-FQEVSTJZSA-N 445.564 2.222 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCc3c(nnn3-c3ccccc3)C2)C1 1686055012 GDAGEOBCKUUXBF-DOTOQJQBSA-N 437.504 2.094 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCCC1 1689949249 WMLAQZVTTUANJZ-UHFFFAOYSA-N 430.578 2.311 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988856 XLHGRNCKGDSIPK-YLJYHZDGSA-N 427.574 2.307 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(CC(C)C)c2C)CC1 1690396699 JSSMCCJZSRQZLP-INIZCTEOSA-N 449.625 2.500 30 10 IEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)CC1 1690463299 YXBYMGSSORHPAV-UHFFFAOYSA-N 429.594 2.377 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1690622102 HSPCDLNRGHOQPW-INIZCTEOSA-N 426.521 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690720958 WAXSJPRFUDNVOY-GOSISDBHSA-N 441.561 2.287 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690751279 YFJUHIHSLGKMBY-INIZCTEOSA-N 426.546 2.315 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1690993548 MLKXWTUTNRELDK-QZTJIDSGSA-N 435.532 2.163 30 10 IEEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(C(N)=O)CCOCC1 1691896086 FQXAQVWBNNAFKK-IBGZPJMESA-N 438.532 2.133 30 10 IEEE C[C@@](O)(CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1692801395 BCDXIBBLARUBIA-YADHBBJMSA-N 426.496 2.140 30 10 IEEE COc1ccc(C[C@H](C)CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1697393811 ZAERGSISZGBYPG-XGNMISCSSA-N 438.532 2.437 30 10 IEEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705524616 PTAXYZRUKIAQRC-MAUKXSAKSA-N 431.924 2.436 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705560119 DHEKBZOOMICODA-IMFGXOCKSA-N 444.557 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1nnc(C)s1 1705603068 IRHBPHBDOBVFJF-HKUYNNGSSA-N 428.562 2.258 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1705728169 ALEWTXIEORUDNW-HNNXBMFYSA-N 427.571 2.407 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705734070 BZXDCJYHBYVQHA-GOSISDBHSA-N 445.531 2.310 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1705792379 RXDRMUHWINFDSY-QGZVFWFLSA-N 437.566 2.443 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705832852 KYNKUWRVVJFZMZ-IEBWSBKVSA-N 443.552 2.120 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1705921333 PZYYRTAGQGDCLV-UQNRQAKVSA-N 444.532 2.284 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705936478 RJWHKXKYEFXIAZ-XGHQBKJUSA-N 438.594 2.309 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705942759 CNBDYLUOQCTVAW-QGZVFWFLSA-N 429.594 2.340 30 10 IEEE CC/C=C\Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709382559 CPPHJZODTIXPNL-ZEVQVBBLSA-N 442.568 2.209 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1712526405 WSSXYXUDVMMANG-KRWDZBQOSA-N 428.537 2.188 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1722322998 ALRPPUIUKFYWPO-AEFFLSMTSA-N 431.562 2.304 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1722332485 LSCXDTBNCYMFSG-KKSFZXQISA-N 432.500 2.442 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1722369004 UYXVFBRHYXMINA-VQIMIIECSA-N 447.561 2.054 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCN(C(C)C)CC1 1722408499 IRPKVURVYFQCMZ-UHFFFAOYSA-N 439.560 2.411 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1cc(C)nn1C 1722422293 OCKHWTNELNUHHA-UHFFFAOYSA-N 435.507 2.270 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(N)=O)CC1 1722454972 QQXLGKZFNDQTBT-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2)CC1 1722461972 KOCFXHOFGWTKGP-UHFFFAOYSA-N 438.601 2.484 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC(C)(C)COC 1722467875 XDMONMUTYMYKKF-OXQOHEQNSA-N 425.599 2.333 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722518208 WYWMEUSEQCMFCX-OPYAIIAOSA-N 438.594 2.311 30 10 IEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722534428 MXLOCNBJZPHALQ-SFHVURJKSA-N 435.532 2.390 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722535158 AKMXKKHTJFYCAM-UHFFFAOYSA-N 425.533 2.491 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)c2cccc(O)c2)CC1 1722568971 HYKNGBRYOLGMEG-UHFFFAOYSA-N 438.532 2.083 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNS(C)(=O)=O)CC1 1722575963 DCKQZPVDMZXCMA-UHFFFAOYSA-N 434.522 2.195 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCCCC2=O)CC1 1722694467 WMYIBLOLBSRIAQ-UHFFFAOYSA-N 426.521 2.130 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722737256 YIGFJTBZYYNIMN-HXUWFJFHSA-N 436.582 2.147 30 10 IEEE COc1cccc(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)[C@@H](C)CC#N)CC2)c1 1730214491 FEXUJRMMEGLCDO-JKSUJKDBSA-N 446.577 2.367 30 10 IEEE COc1cccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1730252923 BCQGJLHELBKPBQ-UTKZUKDTSA-N 434.500 2.469 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@@H]1CCOC1 1740538494 HJADRKSDZYMHIJ-ROUUACIJSA-N 446.573 2.250 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCCO1 1740540518 WEJJVOHIPVXMKC-HRAATJIYSA-N 431.562 2.222 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1740614934 LSRZDDOJFTZLMF-INIZCTEOSA-N 430.553 2.465 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740625154 OGEIUBZNLJBNCI-FPOVZHCZSA-N 447.649 2.369 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cccc2[nH]ccc12)[C@@H]1CCS(=O)(=O)C1 1740627965 LZWZVUJNLCYDOH-GOSISDBHSA-N 441.557 2.165 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740657225 WCDBMPJBZZLXBK-TZIWHRDSSA-N 437.519 2.466 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(CC)(CC)OC)CC1 1740697693 CPEYNGRGXBRNJM-UHFFFAOYSA-N 435.576 2.477 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740857817 CWLGTHFOPFYVJR-IHRRRGAJSA-N 439.504 2.401 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1740941331 IIRZRZSYWUZVKX-GFCCVEGCSA-N 428.502 2.072 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1743657760 SRCQFVOZSXUFDK-LJCCNALRSA-N 438.573 2.438 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1743891592 UEYZXVWGPQKUKM-FFZOFVMBSA-N 449.559 2.179 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1745013707 IUJSXJYOBYBURN-HMWBCQRISA-N 427.534 2.131 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1745885404 DITMAFXPPBMXIY-UHFFFAOYSA-N 430.516 2.322 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1749347974 ILENIMJZJBJVGB-FQEVSTJZSA-N 443.640 2.077 30 10 IEEE CC(=O)N1CCC(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1749814574 JQHXFQCPNISFGI-VGOFRKELSA-N 432.569 2.316 30 10 IEEE CC(=O)N1CCN(CCn2c(Cn3ccc4ccccc43)nnc2N(C)[C@@H](C)CC#N)CC1 1749888318 HJFRHJOAMLULFU-IBGZPJMESA-N 448.575 2.184 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2Cc2ccncc2Cl)cc1 1750384705 KSPZBDKSJUMFHI-UHFFFAOYSA-N 442.932 2.394 30 10 IEEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1751672532 FQQJTKRVFYKYKX-QGZVFWFLSA-N 429.546 2.340 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1760161183 XWBKFSVCQSQQEW-QGZVFWFLSA-N 443.935 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1760212561 XLUZQHJPNDFTGO-DEOSSOPVSA-N 445.527 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1760267198 VBWBXOSKUVEWSZ-UHFFFAOYSA-N 432.528 2.209 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760279213 VCYCXNMRTUPKQB-QHCPKHFHSA-N 449.584 2.460 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760284329 KFAYVJLVPDLZGS-GOSISDBHSA-N 427.574 2.228 30 10 IEEE C#CCSCCn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@]1(OC(C)C)CCOC1 1760286357 JGKAJEPDTGYJPO-HJKBJPMPSA-N 434.606 2.282 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)OC 1760319775 ULQCZTXVWJHOOR-SJLPKXTDSA-N 435.550 2.174 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760373012 DKEBPFWRSDMYAZ-QGZVFWFLSA-N 434.972 2.457 30 10 IEEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(C)CCOC)CC1 1760400682 JOLHCCVVFVEKIK-UHFFFAOYSA-N 430.553 2.377 30 10 IEEE C=CCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513372 WCXIHJLZHSSXDJ-IIBYNOLFSA-N 431.541 2.079 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760524873 MASKEUXPZWVYSB-IBGZPJMESA-N 442.539 2.051 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCOCC1 1760692058 XFGYLYUGFLZIIP-OAHLLOKOSA-N 430.509 2.187 30 10 IEEE C[C@@H](N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F 1761453882 WIICWYPHYFKZAW-CYBMUJFWSA-N 432.410 2.321 30 10 IEEE CNC(=O)CCn1c(N(CCC#N)CC2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1767819076 ZLLUJOUQBHPBBE-CALCHBBNSA-N 445.568 2.315 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(OC)CCOC1 1771100578 VMVDWMYTONPTPL-NFBKMPQASA-N 441.532 2.460 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)C1 1771347228 CWONENZRMHPEJX-RTBURBONSA-N 429.546 2.399 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCSC2)C1 1771365994 HRBFDCYXJJSIOQ-HXUWFJFHSA-N 446.602 2.089 30 10 IEEE CO[C@@H](O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 1848436925 HNSMUJBSWKHCGZ-VTRSLJIBSA-N 446.540 2.299 30 10 IEEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN(c3nccn4nc5c(c34)CCCC5)C1)CC2 1850865927 CFDZTFZXWJVRDU-OAHLLOKOSA-N 430.516 2.004 30 10 IEEE CN(C)C=NC(=S)N(C(=O)CN1CCOC1=O)c1ccc(Br)cc1F 1852093172 ZMZVLMXYVGWGFO-UHFFFAOYSA-N 431.287 2.248 30 10 IEEE CC(=O)N1CCN(CC(=O)N2CCSC23CCC(C#N)(c2ccccc2)CC3)CC1 1852113060 YFMPXUXLNLRBOK-UHFFFAOYSA-N 426.586 2.458 30 10 IEEE N#Cc1cccc(OCC2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)n1 1852452256 TZDGDAQIVWAVPJ-SFTDATJTSA-N 438.528 2.012 30 10 IEEE COc1ccccc1S(=O)(=O)C[C@H](COc1ccc(C#N)cc1)OC[C@H]1COCCO1 1853358950 LPRFQEPLIJNOHA-UXHICEINSA-N 447.509 2.220 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2=O)CC1 1857356870 PTUYVIQTIGNMMJ-QFBILLFUSA-N 428.920 2.446 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933710 MWYVZGQGSMGRCX-MOPGFXCFSA-N 444.557 2.019 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CSc1nnnn1C 1870211080 JUDVNWDTPGEJPW-UHFFFAOYSA-N 440.529 2.484 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)Cc2ccccc2)cn1CCO 1870509344 MVOUVSRLAZGVDJ-UHFFFAOYSA-N 425.529 2.052 30 10 IEEE COCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874502044 NFULBKUXCLDFKR-KEBDBYFISA-N 448.505 2.462 30 10 IEEE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cccc(C#N)c5)CC4)ncnc32)c1 1891081025 RQBYPBUUGZOXII-UHFFFAOYSA-N 440.467 2.053 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](O)C#CC1(S(C)(=O)=O)CC1 1902431032 LMJLURXVYWVHLV-RBUKOAKNSA-N 437.558 2.428 30 10 IEEE C[C@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243674990 QKVVNCPULXMJPO-GFCCVEGCSA-N 425.360 2.362 30 10 IEEE CC(C)(C)OC(=O)NC12COC(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)(C1)C2 2247287027 QHVXGFKVRBNRDV-WDGBRCNXSA-N 426.517 2.049 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247908447 UQTWGLOVSPEQCP-UHFFFAOYSA-N 428.363 2.024 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C 2247920244 WIRDIGWOAXIBBI-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE CC1(C)OB(c2cccc(NCCn3cnc(I)c3)n2)OC1(C)C 2255369090 LLOFUJXGMXUMTP-UHFFFAOYSA-N 440.094 2.294 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618800 JYLFDFZMWUGYIY-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255629527 XBKBTSWYSKHROB-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255704189 DPLOXPCQBTUDBK-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815991 XJOPSTIHGYVFPB-KBPBESRZSA-N 436.362 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255947709 PQYKRGFCQQGMDB-CJNGLKHVSA-N 432.326 2.334 30 10 IEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267142626 WTBDWBMHPMULDU-CQSZACIVSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183025 CTCCWFATOUODRF-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 2267183445 GKVJLIRKOSDOTK-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2267267870 ZSICKZCGXMFYQO-ZACQAIPSSA-N 445.369 2.452 30 10 IEEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267271426 RSUGDWZQDSSPIL-SFHVURJKSA-N 448.369 2.286 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504782 XLVJEOZDDKPBRS-SHTZXODSSA-N 448.373 2.143 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCC1 2267515680 RSAKTIUXSURHSX-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267597076 SWTNFTUVBSKTFG-AEFFLSMTSA-N 446.353 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267609702 UUUPOCLQLQLFRD-NVXWUHKLSA-N 443.353 2.462 30 10 IEEE Cc1cc(NC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2268639211 ZINSEODANFGJBR-UHFFFAOYSA-N 445.369 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2303147759 QJUYZGIUGLAUGV-UONOGXRCSA-N 428.310 2.001 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 2315391257 ZMANYSJXFXWDAM-DLBZAZTESA-N 433.358 2.471 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)n1 2315397600 CVLOKPYOQUMSGT-QGZVFWFLSA-N 433.358 2.419 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccccc1[N+](=O)[O-] 2328682387 OHIAEHPDGZKXSP-UHFFFAOYSA-N 440.485 2.440 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2337193169 BZMJTKQUIASXOJ-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE COc1[nH]c(=NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339784951 KPGVPRAHRHERCK-ZMSDIMECSA-N 445.369 2.479 30 10 IEEE Cc1cc(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649140 CEDLOTLSHNRFQN-SFHVURJKSA-N 448.369 2.186 30 10 IEEE CC(C)(C#CC(=O)[C@H](O)c1sc(Cl)cc1I)S(C)(=O)=O 2366643140 PZUUCUNGVVNAOI-JTQLQIEISA-N 446.715 2.435 30 10 IEEE Cc1ccc(CCNC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 9529856 IAKYVUNJEWPGIC-OALUTQOASA-N 429.567 2.457 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472622 DXCSRYDKPZSWPK-MAUKXSAKSA-N 429.436 2.377 30 10 IEEE N#CC1(NC(=O)CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)CCCC1 96982753 DHLPUZLZDGBNDD-UHFFFAOYSA-N 428.562 2.301 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)cnn1CCN(C)C 406944590 OUHMIJCHDCQKNM-LSDHHAIUSA-N 428.375 2.384 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 433858496 JTZJELVDTXPGNV-LBPRGKRZSA-N 447.314 2.398 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 435936331 MCZFECNCZNAOHE-UHFFFAOYSA-N 428.514 2.118 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(C#N)cc3)C2)cc1 460276822 PFHCOXRPUJNWNS-LJQANCHMSA-N 427.526 2.463 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N(CC)CC)CC1 508729203 DFTNHAXVXQFKQC-UHFFFAOYSA-N 449.559 2.463 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCC(CNS(C)(=O)=O)CC2)ccc1Cl 510252428 KDVMYLBFYVFIRX-UHFFFAOYSA-N 426.970 2.156 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCOC[C@H]3CC(F)F)nnc12 553314005 OKDRFRJXWKIGMW-CYBMUJFWSA-N 449.483 2.205 30 10 IEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 586273676 JCDDWDPPFTXKAR-GDLZYMKVSA-N 432.483 2.343 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)c1ccc(C#N)cc1 588934188 OGKMRDMIOUTUJE-UHFFFAOYSA-N 442.541 2.170 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCN(CCOC)CC1 604440346 PHGNLZAMTMQHAV-UHFFFAOYSA-N 440.338 2.279 30 10 IEEE C[C@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)o1 610487203 JDMURLXPWXTJDG-KXBFYZLASA-N 445.544 2.456 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@@H]1CCCO1 736587142 KWXCNFBKROWHEW-DOMZBBRYSA-N 431.583 2.280 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 742295725 ONTJTSBINDKAAZ-CTNGQTDRSA-N 446.573 2.037 30 10 IEEE COC(=O)c1cc(F)ccc1COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745494807 BFRINRPUXOKVPO-LBPRGKRZSA-N 434.445 2.173 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OCC2CC2)c1=O 748063914 FLHKFTBYKBDZEI-UHFFFAOYSA-N 438.549 2.217 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Cl)c1 758646385 WVNGIIYLZBPKSA-GXTWGEPZSA-N 443.909 2.164 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2cnn3cc(Br)cnc23)CCCCC1 760400140 GBOJGFMIYKCHHR-UHFFFAOYSA-N 426.296 2.025 30 10 IEEE COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)cc1C#N 770008299 PFRKYVHPQFWERZ-OAQYLSRUSA-N 444.850 2.443 30 10 IEEE COc1cc(-c2nnc(COC(=O)[C@@H](O)c3ccc(C#N)cc3)o2)cc(OC)c1OC 780203265 BFKITCANGVNRMK-SFHVURJKSA-N 425.397 2.411 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 780205910 OJLWNVXXVWSNRZ-VQIMIIECSA-N 447.369 2.441 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)n1 788942887 HLNSNJOTDAGDCT-LJQANCHMSA-N 425.533 2.209 30 10 IEEE COc1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCC(F)(F)F)cc(OC)c1O 789992741 ZHDKFLSPAMHDCM-UHFFFAOYSA-N 442.423 2.413 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCCCC(F)(F)F 794649063 IYUYRROYHRUAOZ-UHFFFAOYSA-N 427.448 2.263 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)CC2)c1 802842571 MSDYYHZJJYUJFM-UHFFFAOYSA-N 431.420 2.258 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCCc2ccc(OC)c(OC(F)F)c2)cc1C#N 804251923 PJOZLEYMHJLDDS-UHFFFAOYSA-N 433.411 2.152 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C2)CC1 805154103 XOXPFZANYORYQD-LJQANCHMSA-N 443.548 2.274 30 10 IEEE CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807249716 DNFMDUHIWOQISS-UHFFFAOYSA-N 440.569 2.472 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H](c2cnn(C)c2)C1 849574075 UQTAFSJSDDKARA-IJXRJRJASA-N 444.580 2.109 30 10 IEEE C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1c2ccccc2CC[C@H]1C 913173405 BKPJBOVWHVRSKL-CVEARBPZSA-N 441.509 2.136 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 1125316415 KURZWBGBBGMVRU-HNNXBMFYSA-N 430.505 2.009 30 10 IEEE CC(C)Oc1ccc(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1C#N 1137641542 HUMTUGXTNBKTLV-QGZVFWFLSA-N 437.905 2.277 30 10 IEEE CCOC(=O)CON=C(C(=O)NCC1(c2cccc(OC)c2)CCCC1)c1cc[nH]n1 1145062104 ACHMYCVPVBNSPC-UHFFFAOYSA-N 428.489 2.330 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCNC(=O)[C@H]3c3cccc(C)c3)ccc2c1=O 1148667956 PWEIPBAPQXRYGO-LJQANCHMSA-N 434.521 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 1153813088 UNBFSECDUOLFCO-UHFFFAOYSA-N 426.477 2.230 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)CC)s2)c1 1156838501 GENFIXIPDAMVRX-UHFFFAOYSA-N 425.553 2.269 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)C1 1160373861 CCTLKSNBZCXPTI-APWZRJJASA-N 428.286 2.368 30 10 IEEE CC[C@](O)(CCC(F)(F)F)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1179437832 RYMAMKCOUCHERQ-KXBFYZLASA-N 440.422 2.363 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 1184217682 QBIOHVFPUJWKNT-SAABIXHNSA-N 427.526 2.491 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1186548378 HLSYOEVNWGANDX-UHFFFAOYSA-N 434.493 2.250 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 1188766247 BMWCUOOBNKJJMW-UHFFFAOYSA-N 439.534 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCOC2(CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 1198158030 XHIWGGNGBLUAKY-UHFFFAOYSA-N 449.573 2.434 30 10 IEEE CS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2C#N)cc1 1208540071 DMGORBQMLUJGQD-UHFFFAOYSA-N 429.317 2.203 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N1CCOCC1 1286272411 BTFDHODSFMFUOQ-QGZVFWFLSA-N 433.516 2.042 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1286275057 QLHQGGWTQQBYCA-HZPDHXFCSA-N 433.578 2.333 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286295677 JDRGFOWYPRVASO-OALUTQOASA-N 431.544 2.390 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286322408 AWGZGGCZVIODIU-ROUUACIJSA-N 428.581 2.411 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1286384289 HIEJVQDZDPYEPW-MJGOQNOKSA-N 440.573 2.309 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1sc(C)nc1C 1286403393 JLUAZPSYHHUZGJ-UHFFFAOYSA-N 443.540 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(F)(F)F 1286408781 LLKRKNHNPYTMMZ-UHFFFAOYSA-N 444.417 2.191 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286483895 COFDSANEKHPVRT-AUSIDOKSSA-N 441.601 2.174 30 10 IEEE C=C(Cl)Cn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1286636623 YXKIISWXLYZGEQ-YJBOKZPZSA-N 434.990 2.331 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)C1 1286804033 IEXHOWCXQYXNRJ-MRXNPFEDSA-N 446.939 2.057 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1291654063 GGLGEVKKYGFANM-YQVWRLOYSA-N 425.537 2.189 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1293099712 AYNSAMJRPLQJCB-JGCGQSQUSA-N 449.584 2.361 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)c1cc[nH]n1 1295987947 GZPOYSFONWSPMX-UHFFFAOYSA-N 449.467 2.262 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@H]1COCCO1 1300276664 OWOPKLRBEJYVDU-WBVHZDCISA-N 430.505 2.234 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cn2)c1 1300332579 JKRNXIMDGRABCJ-UHFFFAOYSA-N 444.474 2.317 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(CC)C2)c1 1300333940 GPBZDAWGVYPNAV-VQTJNVASSA-N 436.560 2.180 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300352101 FVPKILFWVFPHGQ-LJQANCHMSA-N 445.571 2.409 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300488671 GBBITUMOHZAGOP-HOJAQTOUSA-N 428.558 2.244 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1300960865 PZENPJHQPMESRN-UHFFFAOYSA-N 440.523 2.007 30 10 IEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1301018571 GRMLWSTXNLWYQY-AWEZNQCLSA-N 435.941 2.028 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301259687 PBUHAQFTTUOIOO-JOCHJYFZSA-N 429.496 2.305 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1)C1CC1 1301313767 HFKHFVFOJWLFAL-CQSZACIVSA-N 429.550 2.162 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C(N)=O)nc2)C1 1301544226 UUVLQCNPHSQGLJ-LJQANCHMSA-N 434.500 2.277 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1301808583 GBILSLOKTPMMGL-INIZCTEOSA-N 444.927 2.087 30 10 IEEE COCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1302222993 FPRABZYCJDFQCK-NRFANRHFSA-N 436.516 2.396 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1305327957 NYJKYAMFDCYRSB-UZUQRXQVSA-N 449.563 2.069 30 10 IEEE CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCC2(CC1)CC(=O)C=CO2 1308117506 VBKYQALYXTZIEC-UHFFFAOYSA-N 438.484 2.325 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(C)CN(C)C1=O 1314214808 ANSABWTWVVLQST-OPAMFIHVSA-N 426.521 2.472 30 10 IEEE COc1ccc(COCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1315509150 UJJKNMDBCXFKAF-PGRDOPGGSA-N 442.495 2.287 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1358930945 JYXUWAZPXBFVEK-NRFANRHFSA-N 434.544 2.357 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1358958869 XPDDXYDMDZVTEN-HXUWFJFHSA-N 441.557 2.260 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358960406 DJVSKHTXIKPTAQ-HZPDHXFCSA-N 427.530 2.088 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1cc(C(F)(F)F)ccn1 1358981586 PYDBKSJILVUDLG-UHFFFAOYSA-N 430.434 2.130 30 10 IEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359118431 IYYLBLGERXGIBN-KRWDZBQOSA-N 439.476 2.196 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)(F)F 1359233067 PKFHEQQVRFOBTE-UHFFFAOYSA-N 435.248 2.347 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1359306458 GYHACSPJRUTUFJ-LJQANCHMSA-N 438.532 2.287 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@@H]32)cc1 1359306961 WLWLJDZXNVGETN-IEZWGBDMSA-N 431.562 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335876 XLUNPPHWMDIMRC-FUHIMQAGSA-N 426.583 2.012 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335891 YAOFVIJXFPWARG-OAQYLSRUSA-N 438.594 2.300 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@@](C)(C#N)CN(C)C)c1 1459877626 AANDIFZRIPHRIG-KRWDZBQOSA-N 445.383 2.053 30 10 IEEE Cc1c(C#N)c(=O)n(Cc2coc(-c3ccc(I)cc3)n2)c(=O)n1C 1473069186 JLKFZZCHJLVWBH-UHFFFAOYSA-N 448.220 2.035 30 10 IEEE CC(=O)N1CCC(N(CC#CCN2C(=O)c3ccccc3C2=O)Cc2cncs2)CC1 1473498445 YKVVNYVMHBQZSO-UHFFFAOYSA-N 436.537 2.256 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(OCCN(C)C3CCOCC3)c2)C1 1477757074 ZLGXSAZVRLLANB-NRFANRHFSA-N 428.577 2.073 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1499987801 BVALHPVLASHVKT-CABCVRRESA-N 429.525 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507543969 XYOZMXQJWHVWFM-CQSZACIVSA-N 440.495 2.018 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1507631224 MWZJPZYEYUVHTJ-OAHLLOKOSA-N 430.559 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507675647 DEBUTNSFRFHDBQ-TZIWHRDSSA-N 434.544 2.261 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1cnnn1C 1507694777 RNLHVDPKMLFWOG-UHFFFAOYSA-N 430.310 2.256 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](SC)C(C)(C)C 1507710214 CYBZGBXZYIUSGK-HZPDHXFCSA-N 428.624 2.044 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC)c(Cl)c2)CC1 1507718805 HWIRTLGAUVTTQW-KRWDZBQOSA-N 447.967 2.468 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OC)CCCCC2)CC1 1507721188 ZMJUMCBBXFSRGU-HSZRJFAPSA-N 431.581 2.035 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1507732824 XUHXBWCERMTURI-UHFFFAOYSA-N 439.560 2.119 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1507764012 IMEIOSJRWIQAQY-YLJYHZDGSA-N 437.610 2.477 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NC(C)=O)CC1 1507779075 JSNJHKLTXYOSPT-CYBMUJFWSA-N 430.347 2.016 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCS2(=O)=O)CC1 1507885845 QUXGRTNJVNJWKG-UHFFFAOYSA-N 437.516 2.339 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)CC1 1507895744 CKVOXHPEVIRYKU-AWEZNQCLSA-N 433.534 2.068 30 10 IEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1508065524 GFYIQANVWHIDSV-HXUWFJFHSA-N 438.532 2.427 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@@H]1NC(=O)NC1=O 1509938728 ISDKPIXLFGERDD-WMZOPIPTSA-N 435.532 2.475 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2cccs2)cs1 1511544580 AKVLKPZCRWIYLO-HNAYVOBHSA-N 430.559 2.332 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1514502297 BMMGEDGPWUWABN-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C[C@H]1CC 1516755204 VEPOFSSALZSFHF-GOSISDBHSA-N 438.536 2.129 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1518748207 HXPQJQMYHWXECJ-MOPGFXCFSA-N 428.512 2.355 30 10 IEEE COC(=O)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(C)c1 1536383515 IDLRJXGKVXVBKC-WOJBJXKFSA-N 448.479 2.492 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1539053563 VEDKWAYKRMTKTB-PKOBYXMFSA-N 431.562 2.270 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)cc1 1539422416 AUGUKFZTGQCYQJ-OAQYLSRUSA-N 425.533 2.101 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1539482513 MISJCVUKJABRQI-IBGZPJMESA-N 434.588 2.253 30 10 IEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539520244 QNHVDLZWKCZDOH-UHFFFAOYSA-N 449.584 2.130 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCC1 1540064051 IDPAWEKDOJCYQX-UHFFFAOYSA-N 445.593 2.263 30 10 IEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1541465547 ATFGPLYNIDVHLB-UHFFFAOYSA-N 444.605 2.105 30 10 IEEE Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)n1 1542622519 VDCHWQQXKBEYDO-KRWDZBQOSA-N 426.502 2.175 30 10 IEEE CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1547515030 ORTZLAASDGUADV-HYHOCUEZSA-N 436.516 2.335 30 10 IEEE CCOc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)cc1 1547968523 GVVUAYYAUHUHNR-UGKGYDQZSA-N 427.505 2.106 30 10 IEEE COCC1(C2CCC2)CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1557399305 AOONJWTZAOSTBK-SFHVURJKSA-N 433.574 2.415 30 10 IEEE Cc1c(NC(=O)[C@H](C)SCC(=O)N2CC[C@@](C)(C#N)C2)c(=O)n(-c2ccccc2)n1C 1557620018 OFTUQSOEHYYTSV-AOMKIAJQSA-N 441.557 2.307 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C1 1557916211 LNXNPTBHBNLECU-QHCPKHFHSA-N 447.520 2.397 30 10 IEEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2)cc1 1565227605 IFFLRFCFNHYDJW-FCHUYYIVSA-N 435.528 2.325 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@H]1C(=O)OC(C)(C)C 1584857159 KXYJHQAPASRSPO-CRAIPNDOSA-N 435.546 2.318 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N(C)C)CCSC1 1587663033 SYJZIYDQKYOXRZ-MGPUTAFESA-N 432.619 2.165 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1587754407 DDXHKBLWUCVEMK-QGZVFWFLSA-N 447.543 2.087 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1588133608 JAAFNUDQBVHCHE-UHFFFAOYSA-N 425.558 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1588186383 XMDBWCTZFOCYEN-LOSJGSFVSA-N 434.540 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588241709 UYYGHDVQGMMFPP-UHFFFAOYSA-N 431.588 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(C)(C)C(=O)NCC)CC1 1588930289 RUBQKQQSRMKCBF-UHFFFAOYSA-N 428.581 2.064 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589421554 QOPRTUHXQZTRBF-SFHVURJKSA-N 439.358 2.200 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589560298 YPPDLNDDNMDUHS-IKVWTGGYSA-N 446.573 2.272 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)cc2)C1 1595721323 DLUIQXXNNWPMEI-UYAOXDASSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1595831065 JYCJFCGGISKADI-UZLBHIALSA-N 426.583 2.372 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1597578140 BUASXOCDRFUCSD-UHFFFAOYSA-N 439.520 2.058 30 10 IEEE CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603400015 CTYTYNMOFRUPRQ-RIFXBLHOSA-N 428.537 2.007 30 10 IEEE N#C[C@@]12CN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1611165728 TTXLNBFFRDBZEL-GUYCJALGSA-N 425.388 2.371 30 10 IEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)COCCO1 1611802032 XMSLAZGCSZWDHS-APWZRJJASA-N 437.422 2.390 30 10 IEEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1612787229 CRROWIWAEKRYPG-FUHWJXTLSA-N 428.562 2.335 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1614410747 BFLYKOKFXVKCBZ-AUSIDOKSSA-N 438.532 2.260 30 10 IEEE CCn1cccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1615732411 NVIWDRHGZYSKTI-HTAPYJJXSA-N 428.537 2.144 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1618044014 YEXKXOXVTOOUQZ-ZPHPHTNESA-N 443.458 2.348 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C[C@@H]1C 1618905684 XCYDNFXYJYLFSR-WMZOPIPTSA-N 440.504 2.042 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1619852000 FBHMBFNBQKLALO-HSZRJFAPSA-N 440.548 2.066 30 10 IEEE C=CCC[C@@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1624303738 LXYMONJMRIURKZ-MHTXLSKPSA-N 430.567 2.149 30 10 IEEE CN1CCN([C@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)CC1 1625768796 SAGOOQGKQJNRCZ-BGYRXZFFSA-N 432.590 2.052 30 10 IEEE C#CC[C@H](NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1)C(=O)OC 1626187798 IZHLIWBAIOEWKA-RKVPGOIHSA-N 442.541 2.017 30 10 IEEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1626285911 ATXWNMFYODJEBG-QOQLHOOGSA-N 433.553 2.035 30 10 IEEE C[C@H]1CN([C@@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)O1 1627851368 MCAWDCDADKMUFN-ZEYVPGMTSA-N 434.581 2.387 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1633301503 SFOIATZKWPWGTB-HOTGVXAUSA-N 435.525 2.478 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1)C1CCOCC1 1637128176 MGVLUPKCCIERLA-PZJWPPBQSA-N 427.545 2.353 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@H]2CCCN3CCSC[C@H]23)nn(-c2ccccc2)c1N 1638402099 FTJCSRQHBZXXIY-VQTJNVASSA-N 439.589 2.138 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCCC1 1640672728 XGDVWOGJIBTXOL-MRXNPFEDSA-N 425.938 2.073 30 10 IEEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ncc(C#N)cc1Br 1642866199 IPOUOHZPXHEKGO-UHFFFAOYSA-N 442.317 2.380 30 10 IEEE CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N2CC[C@](C)(C#N)C2)cc1 1646251980 FVUCJBFJFOEVCN-PGRDOPGGSA-N 433.574 2.279 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@](O)(CC)C3)nnc12 1648967733 GGLSXTCNLJIZAH-NRFANRHFSA-N 427.530 2.086 30 10 IEEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN(CC)[C@@H](C)C#N)C2=O)cc1 1655165103 ROQPNQXTXNGQDU-BRYHAGSVSA-N 430.530 2.472 30 10 IEEE Cc1nn(C)c(N2CCN(C[C@H]3C[C@]4(CCN(C(=O)OC(C)(C)C)C4)CO3)CC2)c1C#N 1658292390 MKSFXZXUQPKBSY-JPYJTQIMSA-N 444.580 2.138 30 10 IEEE CS(=O)(=O)Nc1cccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1660593292 FSJDLBFZLKQVTC-UHFFFAOYSA-N 444.332 2.171 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689984402 OSFPKVCFBVGNPG-OALUTQOASA-N 434.537 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1F 1690046774 GXCHMOKVKRWHNU-IBGZPJMESA-N 428.533 2.415 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1COc2ccccc2O1 1690052824 QXHOQNDZQYLILE-FQEVSTJZSA-N 430.512 2.443 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1690060767 HXOYFTVIVPLVNS-HSZRJFAPSA-N 435.532 2.407 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690140145 NLGTVDDRMIYOJF-HXUWFJFHSA-N 448.571 2.134 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F 1690228670 CLAUFQMLAHCQHW-JTQLQIEISA-N 431.278 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)CC1 1690252977 LBONPJRHBVCKLG-AVRDEDQJSA-N 425.533 2.473 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C)C1CC1 1690540020 WFPWFBISKDKQRG-GOSISDBHSA-N 443.573 2.418 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690671025 NOGLBXDLRFHCOI-SFHVURJKSA-N 441.532 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1F 1690722499 LONURFUKADJIQY-UHFFFAOYSA-N 432.525 2.097 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1691005685 DKQVMWMIXBCRSD-JKSUJKDBSA-N 436.557 2.343 30 10 IEEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1692417967 ANMYGDIBCYLWIQ-PZJWPPBQSA-N 435.576 2.496 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1(C)C 1693705045 HNOCJZYMYQERGR-OPAMFIHVSA-N 443.573 2.239 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CC(=O)N1C 1693786827 ROELZIPKRFWRIH-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE C[C@H]1COCCN1CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1693856631 CSRYKVCPGUBETR-KRWDZBQOSA-N 428.512 2.457 30 10 IEEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1696512837 DJTRLUANMYNSNQ-KKIUXKEOSA-N 442.589 2.326 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)C1 1698099450 OARIUKAHBVEVAR-HZPDHXFCSA-N 428.537 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1705598903 SFDBKRYOYZTWNA-NRFANRHFSA-N 445.633 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[C@@H]2OC)CC1 1705647178 BXUYQPIISNFTEY-CTNGQTDRSA-N 436.560 2.429 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705657831 SJBMCSCEWWZWSS-FQEVSTJZSA-N 439.585 2.448 30 10 IEEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705724074 VPVVJEDNWFYVEV-UHFFFAOYSA-N 441.561 2.074 30 10 IEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1)c1ccccc1 1705742607 ARSPFQPJVPWFOH-AZUAARDMSA-N 429.590 2.424 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705771391 RJNIZIAHIYHPME-IRXDYDNUSA-N 431.562 2.478 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1705911654 MYJTWZXJTBPXDM-UHFFFAOYSA-N 448.531 2.200 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC=CCO2)C1 1705919929 NAKZLRPFEQEIAY-MOPGFXCFSA-N 444.557 2.475 30 10 IEEE CCC[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1709473477 XNXWZNKAVTYOOT-UDJKBAMHSA-N 426.525 2.077 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1712879909 QRUUYLQRUOGESG-ZPHPHTNESA-N 439.426 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1722290652 YUUNEBQHOMXHSZ-KNQAVFIVSA-N 433.560 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1722297696 MMGVWHLLEFUXDN-INIZCTEOSA-N 428.562 2.136 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1722352688 SRTWGTZGKWWTOJ-KRWDZBQOSA-N 446.552 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCSCC(F)(F)F)CC1 1722448481 YIHXEADFBZBFSW-HNNXBMFYSA-N 445.511 2.043 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722456902 ITZVGRXKIITNTK-JOCHJYFZSA-N 449.628 2.399 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCCN1C[C@H](C)O[C@H](C)C1 1722468052 FUABKVNFSJHMPI-VLVHOKLOSA-N 433.597 2.494 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722549151 DNCYBODGPARWOR-UHFFFAOYSA-N 429.887 2.419 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1722553952 BKMSBAUPJLOPGY-CQSZACIVSA-N 432.999 2.035 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCOCC2)C1 1722720892 CEKQDCRXEDDTAY-QGZVFWFLSA-N 432.496 2.319 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)C1 1722721396 JPFTZUVLXYSPGJ-JPYJTQIMSA-N 425.533 2.137 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1722727190 GPJAQKACOUWBKA-WOJBJXKFSA-N 446.573 2.178 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cc1C 1724437853 HUKZJZZZRIZTSH-PMACEKPBSA-N 427.505 2.008 30 10 IEEE CCOCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728960365 SBKRMWJZYKZPTI-UHFFFAOYSA-N 434.504 2.333 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1730487990 XPOZBUJOZLQBEG-GOSISDBHSA-N 436.495 2.226 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(C)=O 1740553019 YQLRAVZIKMVUOT-INIZCTEOSA-N 435.532 2.049 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740623917 AACDPQCLMUFDQR-IHPCNDPISA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1(N2CCC(OC)CC2)CCCC1 1740637256 VYJNCIDXHZZCOG-UHFFFAOYSA-N 435.576 2.175 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnn(CCOC)c1 1743677880 ISKSGAUDFSYQHE-OAHLLOKOSA-N 436.520 2.218 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(COC)CCCC2)CCOC1 1746732603 AANZORKFFRITPT-AVRDEDQJSA-N 433.553 2.256 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1748740201 NLTHBAPVVYNEOE-UHFFFAOYSA-N 430.530 2.143 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1748759693 MTLHPNHSZAPQFY-QGZVFWFLSA-N 440.573 2.274 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748814241 BQMNWCGVLSYSIL-OFNKIYASSA-N 442.585 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1748907065 FTWSQVWWYOKSIW-XMMPIXPASA-N 439.560 2.381 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1748965769 VXBFKWMBQZPGQG-QHCPKHFHSA-N 425.508 2.105 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)nn(C)c1C 1748968863 NENBDUHDWSMHKZ-UHFFFAOYSA-N 433.516 2.213 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1Cc2ccccc2O1 1748970895 WMZQMMSWHJEABA-ZVDOUQERSA-N 426.517 2.092 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1748983466 PLYXOLLCYHXYRX-BTYIYWSLSA-N 433.915 2.033 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1749009581 SZTFXBSTHSNXHL-FQEVSTJZSA-N 447.543 2.202 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1749027218 XOZCCEZNBQMZJH-MRXNPFEDSA-N 441.557 2.140 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1749247596 WSUNIOFTHFMZEG-SFHVURJKSA-N 438.532 2.391 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1749312857 VYGXPIIRKWSXTB-UHFFFAOYSA-N 434.504 2.059 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 1749331335 YGHHVWGTLVOUOR-WMZHIEFXSA-N 433.597 2.301 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2C)CC1 1749412129 KFCNKGOWSNXIQH-IBGZPJMESA-N 446.621 2.485 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCn1ccnn1 1749529978 QQKKCEZCXDGWLJ-UHFFFAOYSA-N 445.531 2.260 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)C1 1750378787 MKQJGHRLDQGDQR-PXAZEXFGSA-N 440.451 2.136 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCCOCC(F)F)c1 1750382035 OUWZOZGDGMKFLV-QGZVFWFLSA-N 430.459 2.300 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)CC1CC1 1750645091 GPOUYLUQIIGSMY-UHFFFAOYSA-N 442.589 2.425 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750862637 YMZLTIAZKLDPCE-SGRLSNSRSA-N 428.537 2.008 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOCC1(C)C 1760208796 ZKAIITMRMMOUNQ-WOJBJXKFSA-N 427.593 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN(C)CC(F)(F)F 1760223720 JRHDHQZMFYREME-UHFFFAOYSA-N 435.498 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)CC1 1760264848 GRAJZXPVEOLZOX-UHFFFAOYSA-N 440.523 2.319 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760357151 FNRWMWZJCPTAEH-OAQYLSRUSA-N 446.640 2.370 30 10 IEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760443766 LVENCTLMBOSXDV-UHFFFAOYSA-N 437.541 2.434 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1nncn1C 1760453208 YJXJPNZDLGHFKS-GOSISDBHSA-N 425.541 2.202 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl)C1CC1 1760476842 IJBSVLQDDKTRFA-AWEZNQCLSA-N 437.953 2.462 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1760495456 OGXZTUPIRRXTNQ-HXUWFJFHSA-N 445.589 2.341 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1760501644 XKBRQQZYHZGPAJ-LJQANCHMSA-N 449.577 2.383 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](OC)C(C)(C)C1 1760527783 IOMOZJNVKNTEKF-GOSISDBHSA-N 429.521 2.029 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)CC1 1760533739 UTYBVXZGWJDIKD-FQEVSTJZSA-N 427.549 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3nccs3)C2)nnc1C(C)(C)C 1760558568 SIYGNFYBPUPBJM-CQSZACIVSA-N 425.580 2.211 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)CC1 1760648383 GJHAGBRPRMECFZ-UHFFFAOYSA-N 449.481 2.416 30 10 IEEE CC(C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760819208 WMCRWAYBTCTHOL-UHFFFAOYSA-N 448.487 2.217 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C1CC(C(C)(C)C)C1 1761498487 FYVKQSUPNXIUQG-VSVYTNTFSA-N 449.625 2.062 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)C1 1761542113 BSDYCAFKYWIVTP-SJCJKPOMSA-N 432.422 2.276 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)S1 1763089410 KSUZIVMCCXSGEP-VBQJREDUSA-N 439.545 2.135 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1765476644 DMIIJUOGRAROIK-SPLOXXLWSA-N 445.499 2.000 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1766368783 BPOUWINXYPLIJY-OAHLLOKOSA-N 449.481 2.368 30 10 IEEE COCCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770971203 ZKYHGJJXHFJJKG-HNNXBMFYSA-N 426.521 2.380 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCCC1 1771298036 JPPZAONYNRILHQ-FIKGOQFSSA-N 430.553 2.178 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1772555244 KHTQFLOYQNPWEU-OAQYLSRUSA-N 438.594 2.157 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1sccc1S(=O)(=O)Nc1cccnc1 1772792296 KHGNVHNKSDJQHV-UHFFFAOYSA-N 429.435 2.312 30 10 IEEE CN(C)C=NC(=S)N(C(=O)CCCN1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 1852336550 HJUJQLXUUPNMSW-UHFFFAOYSA-N 445.010 2.058 30 10 IEEE N#CCC1CCN([C@@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1856537875 UJNRKCYWMGVCMK-HXUWFJFHSA-N 431.558 2.384 30 10 IEEE COc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1 1874295224 POUFJFVPVFMVGY-SRZZPIQSSA-N 426.458 2.245 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2011735814 VMNOWLZAOBETKT-RXSFTSLZSA-N 441.525 2.330 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CO1 2060638344 VUXQQBTXBOSFHM-VIQHNZTISA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060641413 IYEPLVOJRFNZMD-HNNXBMFYSA-N 430.314 2.328 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC(CO)C1 2073620634 XIUTZNKGOJTIII-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2083616530 AFCGWXVIKXCIBY-BWKNWUBXSA-N 440.588 2.370 30 10 IEEE CCS(=O)(=O)CCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116141857 FPZJZTOJNAILKE-UHFFFAOYSA-N 433.177 2.014 30 10 IEEE Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)ccc1C#N 2174787997 ZTCLCAPSGDCSTM-VQTJNVASSA-N 429.498 2.229 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2244373921 RJCYNCBOJMEKLM-YCRPNKLZSA-N 427.542 2.286 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247836074 WFBVWHVKQIONLF-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2255876392 CGKJLRWYFAEVOZ-IRXDYDNUSA-N 429.326 2.215 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256638046 AHYCNNCGCGUZAJ-HNNXBMFYSA-N 433.289 2.375 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258227456 UNKDDHCUSQDODN-NSHDSACASA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266999167 WJWXIQBAUOZDNC-GJZGRUSLSA-N 449.332 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267105898 RSXNJNTUPZCBCI-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267224026 NHKRUNMOMUMLLI-OLZOCXBDSA-N 441.259 2.052 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)cc2Cl)OC1(C)C 2267359021 JKCVXBJLKFUXSM-GFCCVEGCSA-N 449.787 2.227 30 10 IEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267501228 UZDWCFXMHPOBOJ-MSOLQXFVSA-N 438.381 2.454 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2267520553 OALFTVOMOAVJIV-JLCFBVMHSA-N 446.357 2.038 30 10 IEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267875420 GOBNZIZBPQZEEV-HNNXBMFYSA-N 448.373 2.445 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268656161 TYOMZUYVJXOHKL-SFHVURJKSA-N 446.353 2.368 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@H](N)C#Cc1ccc(Br)cc1 2278814902 YDDIXFSSEOEBNZ-HZPDHXFCSA-N 445.379 2.456 30 10 IEEE COCCn1cc(C#C[C@H](N)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cn1 2318060828 AJLJKOJEEVMFFC-QFIPXVFZSA-N 441.576 2.235 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)n1C 2319264658 VMNAYCGAORWESO-AWEZNQCLSA-N 427.310 2.143 30 10 IEEE COc1nc(N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788441 PHRMTNOWTUYSBM-ZDUSSCGKSA-N 443.275 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@H]21 2343885336 UVYOXWGBJFVSGA-ARFHVFGLSA-N 444.341 2.360 30 10 IEEE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCS/C1=N\Cc1ccccc1 9318457 FJMSXGRSOBJIEB-DQRAZIAOSA-N 445.566 2.453 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1O 21316522 ZBOPRXYMXPCCEA-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE O=C(O)[C@H](CCS)NS(=O)(=O)c1cc(Br)ccc1Br 305907076 CDLLNCNQNZHPGW-QMMMGPOBSA-N 433.143 2.263 30 10 IEEE Cc1ncc(S(=O)(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1C#N 427099757 ICTQAPHQXDNPIY-FQEVSTJZSA-N 426.498 2.231 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(Br)cc3)n(C)c2=O)nc1 433020148 RAFLCKUEZSJEQP-UHFFFAOYSA-N 440.322 2.299 30 10 IEEE C=CCNC(=O)Cc1noc([C@H](C)CS(=O)(=O)c2ccc(Br)cc2)n1 445332860 JBNSGILHQWEEQP-LLVKDONJSA-N 428.308 2.254 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCCN(c4cccnn4)CC3)n2C[C@@H]2CCOC2)cc1 461603869 OVMOXTKMROTSCL-IBGZPJMESA-N 430.516 2.360 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC1 462464780 LUVAASIAPDBOLF-UHFFFAOYSA-N 436.603 2.202 30 10 IEEE CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)nc1C 465009361 KSMGFCPYGCQBSY-CQSZACIVSA-N 428.518 2.488 30 10 IEEE Cc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471366238 LIXYLDGQHLNNOM-UHFFFAOYSA-N 435.509 2.199 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481493991 QAZGEZDACKFQKG-HNNXBMFYSA-N 428.470 2.348 30 10 IEEE COc1cccc2[nH]cc(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c12 484839633 USCIUTPBOYNJMP-UHFFFAOYSA-N 438.509 2.124 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc2nccnc2c1Br 491217900 TUTTXVOIHGQNFA-UHFFFAOYSA-N 433.310 2.472 30 10 IEEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NCCOc1ccc(C#N)cc1 494366871 LEFAYTIINYTNJL-UHFFFAOYSA-N 433.486 2.187 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1-c1ccccc1C 526082174 GAAMEIBXQDYUNH-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE COCCOc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(C)C)c1=O 531199623 SOEYEGLDNNMNJQ-UHFFFAOYSA-N 440.565 2.463 30 10 IEEE COc1ccc(C(=O)NCC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)cc1 531464131 MZCKBAWOMSRXBN-UHFFFAOYSA-N 446.511 2.122 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)c1 536593953 UYMXMKOENVZSMK-HXUWFJFHSA-N 445.585 2.406 30 10 IEEE COc1ccc(OC)c(CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C2CC2)c1 558477595 DEDRPMRDYSEEPM-UHFFFAOYSA-N 429.498 2.045 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2ccc(C#N)c(OC)c2)c(C#N)cn1CCOC 589335501 GEIVAJVMHPPLEW-UHFFFAOYSA-N 425.445 2.385 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(F)cc1 603786016 FDSKVHDZRAYNBE-UHFFFAOYSA-N 443.450 2.344 30 10 IEEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 609917698 XWGKQQJUDUCFMJ-MRXNPFEDSA-N 431.489 2.306 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)c(F)c1 611148551 SDDKGGXYXDSWPH-UHFFFAOYSA-N 443.442 2.383 30 10 IEEE Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 614944105 SIJSPSQVWMTWIU-UHFFFAOYSA-N 425.478 2.328 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)CCN2C1=O 619818030 LXHSRDGHNGADQB-HXUWFJFHSA-N 441.495 2.338 30 10 IEEE Cc1cc(C#CCCO)ccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979570 CWWQDNKTJCREND-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)ccc1F 727369437 FISNZUOFAOQNHP-KRWDZBQOSA-N 449.529 2.444 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732650542 WFMRSEUWKRKHFW-IEBWSBKVSA-N 430.574 2.371 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3cccc(CC)c3)c2=O)cn1 735068211 DXQYXDRIFKHZPH-UHFFFAOYSA-N 449.580 2.096 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1Cl 753953497 FEKKQIZOWIHAHS-UHFFFAOYSA-N 445.884 2.483 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@H](C(=O)O)C1 757348520 HJCSLCYCPGMLCY-YADHBBJMSA-N 448.475 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N(CC(=O)O)S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 772205498 WJWCDGMGMPAFLJ-CYBMUJFWSA-N 443.909 2.296 30 10 IEEE CCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772278773 UCAZCMHIKASGBZ-UHFFFAOYSA-N 436.443 2.242 30 10 IEEE Cc1nn(C)c(C)c1CCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 775574556 ZXZZIRXFXDOPSP-UHFFFAOYSA-N 445.589 2.385 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 776136678 BQHRUJFCEBTEEM-BZSIDJSBSA-N 437.422 2.110 30 10 IEEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)Nc1cc(Cl)ccc1C#N)S2(=O)=O 790026527 MPPZNKCELGCKCC-UHFFFAOYSA-N 435.845 2.012 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1 792161525 SXCMUVOTLCPMNH-OSCRUYLVSA-N 446.479 2.077 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 802577915 MONRYRDRMJMQFO-UHFFFAOYSA-N 441.536 2.132 30 10 IEEE COC(=O)N1CCC[C@H]([C@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)C1 805066913 DACIBZFYUSOGOZ-RYUDHWBXSA-N 430.324 2.466 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 806738179 WPCBFNXYFYVOEQ-QGZVFWFLSA-N 448.495 2.192 30 10 IEEE N#CCC(=O)N1CCN(C(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)CC1 807922493 RURPXHWXRJRJMT-QGZVFWFLSA-N 426.420 2.021 30 10 IEEE C#Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)c1 808369864 XEIWZNYFHHVCCG-UHFFFAOYSA-N 441.553 2.279 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2=O)cc1 1127912131 WGZPAOIDYNTTOM-INIZCTEOSA-N 428.290 2.318 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1128479769 IFRYVXVDFJBXGG-HNNXBMFYSA-N 430.555 2.067 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)c(C#N)cn1CC 1130010227 AVYXGFJTPLHKST-HSAQVAQVSA-N 443.504 2.242 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)NC)c1 1136309053 JGJJFFLLKJNTPZ-FQEVSTJZSA-N 442.537 2.490 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1137588015 OYQUMFQMGUCDOT-MKXGPGLRSA-N 435.565 2.332 30 10 IEEE C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1138079047 UOANBOTVQLDENY-UHFFFAOYSA-N 427.242 2.142 30 10 IEEE N#Cc1c(CCCNC(=O)c2cccc(Cn3ccnn3)c2)nn(-c2ccccc2)c1N 1141514726 BPFZFGDDIWHPGU-UHFFFAOYSA-N 426.484 2.329 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)C1 1143720935 ZXGQKIKJODRUIM-MOPGFXCFSA-N 425.510 2.220 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1F 1144795357 WXUSQBDWJYVSED-QVKFZJNVSA-N 445.516 2.336 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)n(C)c2)C1 1146220718 JOETWWBVWQGCFW-HRAATJIYSA-N 444.557 2.123 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@](C)(C(F)F)C1 1148366849 FMHRWPSHRIEHJL-LIRRHRJNSA-N 429.489 2.022 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 1148429197 VKRVIINAOWRNBQ-GOSISDBHSA-N 433.350 2.080 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC 1152035765 NKIQHTXAURAQFD-OWCLPIDISA-N 426.510 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)COc1cccc(C#N)c1)OC2=O 1155923863 SKHWKTMCJVRONU-SFHVURJKSA-N 443.500 2.386 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1158566873 GSGAMNZIWYKMPZ-DLBZAZTESA-N 440.301 2.364 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)CCc1ccccc1 1162121551 MJTMGCRWACCTLF-QGZVFWFLSA-N 430.486 2.104 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(Cc1cncs1)Cc1cncs1 1179280310 QREAVZVQNUPESH-ZDUSSCGKSA-N 447.567 2.367 30 10 IEEE C#CC[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1191731130 UUSMNHHAVPRXDX-LBPRGKRZSA-N 426.336 2.064 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 1234047231 CZGCSDLXMRVZML-HSZRJFAPSA-N 433.556 2.245 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ncc(Br)s3)C2=O)cc1 1248375118 IRROTANVSCTQNC-CYBMUJFWSA-N 434.319 2.378 30 10 IEEE C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)N1CC(F)(F)F 1248375631 NTEXLKKUEOSHMK-RVKKMQEKSA-N 437.466 2.326 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1251528042 CLEIPHDEDFONRM-UHFFFAOYSA-N 425.346 2.371 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1 1261205063 NZZKFLWGXBGAMV-DEULOBTQSA-N 432.520 2.269 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)C2CC2)c1 1286308571 BFPSIKGKQXPIBJ-QGZVFWFLSA-N 446.559 2.218 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286339250 KFWYCTGIWYOZJY-HSZRJFAPSA-N 441.532 2.347 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1286367751 PIBIUHUFKPUEKA-HSZRJFAPSA-N 427.549 2.269 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1286386814 HYBKWQWVXRZLQS-DLBZAZTESA-N 431.587 2.110 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1cnn(-c2ccccc2)c1 1286460577 GREVAXVJCYFYFZ-UHFFFAOYSA-N 447.543 2.029 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1286547124 DBZCEBCHTGXLGH-OAHLLOKOSA-N 442.358 2.017 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1286613052 ORIWKAJGKQRRJA-UHFFFAOYSA-N 429.569 2.085 30 10 IEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCS(C)(=O)=O)C1CC1 1286625420 GHMLTCAIFHTXKW-UHFFFAOYSA-N 438.937 2.482 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NC(C)C)CC1 1286654375 HXSMZNHMADIUFL-UHFFFAOYSA-N 431.562 2.276 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)C1 1286809885 LVBXEGMGPKPKRU-LPHOPBHVSA-N 441.532 2.344 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286824551 YBDUPEXEKWALOV-SFHVURJKSA-N 447.609 2.054 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(N)=O)c1 1287008556 HMKARKFDGUHPQC-UHFFFAOYSA-N 444.543 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1290568890 NDNSXAHCOHNNOO-GOSISDBHSA-N 436.553 2.061 30 10 IEEE C#CCOc1ccccc1CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1293534609 MPRLVALOIUHRHO-UHFFFAOYSA-N 448.566 2.083 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](N4CCOCC4)CC3)C2)C1 1297753407 LXVBFRLWJSZVMK-ZUKXXSLGSA-N 446.592 2.487 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1300302720 DCGOJDLFCFZJIT-XLIONFOSSA-N 449.559 2.409 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC1CCOCC1 1300441312 KFVZROWKYDYJAG-UHFFFAOYSA-N 432.546 2.004 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300498402 JZQIOKVFVTZFBV-VQTJNVASSA-N 430.574 2.229 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1300499392 RCXNTVQBYASESU-IBGZPJMESA-N 427.574 2.493 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(-n2cncn2)nc1 1300587124 HQZQKCBLFHPULS-UHFFFAOYSA-N 443.540 2.121 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1300631223 NTWQBAMUQHUXDK-GOSISDBHSA-N 443.573 2.427 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CC2)CC1 1301091488 GCCSWULYPSAWSL-UHFFFAOYSA-N 435.575 2.003 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1301575935 MXXQGGNKEPHMKJ-UHFFFAOYSA-N 442.589 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCOC2(CCC2)C1 1301578048 QSDBPPMSPCJELR-UHFFFAOYSA-N 432.546 2.314 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1302001357 SYDAPAIHXSAMSK-LZNRXBQRSA-N 433.553 2.470 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1302321398 NZNXGOCDWOQGNW-WKRVVKTRSA-N 443.573 2.360 30 10 IEEE CSCCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1302789064 YZNVXROYWQYEOE-GWOGKKTRSA-N 434.566 2.235 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cc1 1312625348 IYLRJVVFPBWKGQ-SIKLNZKXSA-N 433.512 2.246 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCOC[C@@H]1OC 1314406322 HHUIGCNYDDYTJQ-ACRUOGEOSA-N 441.532 2.316 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC=CCO1 1314895517 ORPZZHXDMKCOCG-CABCVRRESA-N 433.310 2.120 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1315813300 BTMKQXSGMQYASX-QZTJIDSGSA-N 426.496 2.296 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(NC(N)=O)cc1 1316271842 HVPOBNQSQCYVQB-ZVZYQTTQSA-N 427.509 2.279 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCS(=O)(=O)CC2)o1 1316531495 PRUPNPXWTXCXRO-UHFFFAOYSA-N 435.868 2.485 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(F)(F)F)CCO1 1316537104 AALZQTTWLQSEEZ-LBPRGKRZSA-N 449.393 2.249 30 10 IEEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1316540862 OLYXFQOQGWQTGM-HUUCEWRRSA-N 432.937 2.231 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Br)cc1 1320031731 ZWIUFABJTZWWQU-UHFFFAOYSA-N 448.305 2.336 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358950814 ZGNNKADYWYRYDD-UYAOXDASSA-N 445.564 2.282 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1358990059 ZOQKHKYAPDTKGQ-JOCHJYFZSA-N 426.542 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1Br 1359018398 OFJUATQZAFJCMK-UHFFFAOYSA-N 446.349 2.411 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOc2cccc(OC)c2)CC1 1359037326 FPRFYNDTFZXORF-UHFFFAOYSA-N 446.555 2.497 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)N(CC)CC)CC1 1359037831 YTTCAZRCGVNEIZ-FQEVSTJZSA-N 434.592 2.002 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1359054087 JJSIELOZJLDUFI-INIZCTEOSA-N 445.593 2.396 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359058630 KRKBLSCHNBAOML-FQEVSTJZSA-N 440.617 2.179 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@@H]2C1 1359086182 NKHREAFUBYHBSI-HNNXBMFYSA-N 439.383 2.063 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359326627 GBQHZUPCQJHYOF-YLAKUSLOSA-N 426.583 2.165 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435066379 SVXGJPUDPCFDAK-XLIONFOSSA-N 438.915 2.380 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(I)nn1C 1435082415 ZMNOAJTVRSHADP-UHFFFAOYSA-N 437.285 2.100 30 10 IEEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1455093020 MOPVSDIPXVAOKL-YVEFUNNKSA-N 441.431 2.251 30 10 IEEE COc1cc(C#N)ccc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1459819350 DTJVTPCVMJSZCQ-SFHVURJKSA-N 425.460 2.153 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1459882943 RIKBHXBVAWJFBQ-HXUWFJFHSA-N 432.571 2.069 30 10 IEEE C[C@@H](CC(=O)Nc1ncc(C2CCOCC2)s1)/N=C1/NS(=O)(=O)c2ccccc21 1468162864 DSMPTZFZCRSJOK-LBPRGKRZSA-N 434.543 2.493 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H]1CSc2ccccc2O1 1469361644 QTXKHEJLASPAML-GDBMZVCRSA-N 431.539 2.285 30 10 IEEE N#CCc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)cc1 1469413976 DNLKSDUVKCAMSK-UHFFFAOYSA-N 433.555 2.137 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)ccc1Cl 1473536848 HLHLKKRJPNLXSO-UHFFFAOYSA-N 448.951 2.381 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)c(OC)cc1OC 1475717671 WWSCXLUVOVIEDD-UHFFFAOYSA-N 431.352 2.184 30 10 IEEE N#CCc1cccc(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 1476610202 IABPULXNLDCNOU-UHFFFAOYSA-N 428.514 2.236 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)s1 1492765555 KMECAPYRHSHXQV-KRWDZBQOSA-N 436.545 2.311 30 10 IEEE CC1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1494051527 QASCOXMHVXKXPG-QFIPXVFZSA-N 431.560 2.355 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1503357188 RQESJXURIZKQMM-AVRDEDQJSA-N 426.496 2.364 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)(F)F)cc1 1505319587 BHBSUCPIRNZVFA-INIZCTEOSA-N 436.394 2.384 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507594329 CPZRGZLMNDABBW-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCSCc2ccccc2)CC1 1507716961 XJFUXWMNQLQEKB-UHFFFAOYSA-N 426.590 2.105 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1507882756 LLBGBCGJRABGQO-UHFFFAOYSA-N 447.590 2.183 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1507971507 SKVFQHYTMXELGG-XMMPIXPASA-N 441.576 2.433 30 10 IEEE CC1(C)SCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1510341398 GPTIRGTUJORAMQ-MRXNPFEDSA-N 426.546 2.197 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1514254251 MYPDQKHSAAFWFV-KDOFPFPSSA-N 437.342 2.326 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccsc2)CC1 1515989593 CNUAARHSJJDWFG-UHFFFAOYSA-N 435.557 2.185 30 10 IEEE CN(CCCc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1517286066 DOTUIZZICWTCEA-UHFFFAOYSA-N 443.515 2.370 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C 1518606014 RVLLRMKROQGLDQ-VDZJLULYSA-N 429.546 2.113 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1518744793 CXCUBZHSTNBBBH-HXUWFJFHSA-N 446.490 2.395 30 10 IEEE C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN1c1nccn2cnnc12 1526360887 BJGFFTWQNGVLOK-ZDUSSCGKSA-N 440.305 2.038 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 1534393724 ZBWGNUVCDDUFOW-OAHLLOKOSA-N 437.518 2.403 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539109042 HBMFWSATWOWGDZ-SFHVURJKSA-N 438.532 2.322 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1539140880 CDMVAORVKGLUIE-OAQYLSRUSA-N 442.608 2.314 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1539176585 RBGXUJYJZMLREA-ROUUACIJSA-N 433.553 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN(CC)C(=O)OC(C)(C)C 1539291424 PWHUYKZWESYBHF-UHFFFAOYSA-N 442.564 2.234 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1539602910 CSFWUCLCCRFJDW-UHFFFAOYSA-N 425.356 2.211 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539757994 GGVFRGRFFKUFEU-GOSISDBHSA-N 427.505 2.133 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 1540444293 KEALJWGFBUTGKK-HXOBKFHXSA-N 442.516 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CCOC)C1 1540892575 OEXVCDYEZGSDJK-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540919458 ATWQVVLZNMZWSF-QFIPXVFZSA-N 438.557 2.364 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1541103777 GLRCKLNCJWGKDC-INIZCTEOSA-N 448.535 2.082 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccnc(SCC)c2)CCOC1 1547917561 AKGNMTDVIZDEKS-UTKZUKDTSA-N 444.561 2.214 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cc(C)nn1C 1548169022 AKCSYMSFTUUHGI-UHFFFAOYSA-N 438.511 2.242 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cncc(N3CCCC3=O)c2)c(=O)c1C#N 1558973264 JSQJXFIJONTAIF-UHFFFAOYSA-N 430.262 2.005 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1564690566 UGNPUDLKCZPKJK-IRLDBZIGSA-N 434.496 2.451 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)c1 1586181899 SNRDGWPKJOJGSA-LBPRGKRZSA-N 449.533 2.358 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COCc1ccccc1 1587640098 OQTZUZHAJKCDEB-BJLQDIEVSA-N 430.574 2.491 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1588050994 YTYWSRUBFILGAG-LJQANCHMSA-N 445.589 2.420 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588053396 DRTPHOYGWFUSSR-JKSUJKDBSA-N 434.587 2.081 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)nc1 1588090656 ZZURBBLYIUWOIT-UHFFFAOYSA-N 447.568 2.371 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1CCOC1 1588228642 IVGRAHCXZZRYAZ-FQEVSTJZSA-N 433.560 2.342 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1589403342 AABWSHIYRYDJDV-DAYGRLMNSA-N 427.343 2.465 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1593768955 JSCLVLULSRJXEF-QGZVFWFLSA-N 427.615 2.276 30 10 IEEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1594128250 OXNWYGYRGJBWQC-UHFFFAOYSA-N 438.576 2.486 30 10 IEEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705311 QPWNYNCUICXAEQ-KSFYIVLOSA-N 440.862 2.401 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)Cn1cnc3ccc(Br)cc3c1=O)C2 1603039057 OFTIODCAWYSJRO-UHFFFAOYSA-N 444.314 2.259 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CC(C)(C)CO3)nnc12 1611640882 WSOAONXTSAMINV-AWEZNQCLSA-N 427.530 2.254 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3cccc(O)n3)nnc12 1611668955 FJDBZJJQMRIICR-UHFFFAOYSA-N 436.497 2.082 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1612978485 SKYKWAOOLROJBH-FXAWDEMLSA-N 427.505 2.149 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1Cc1ccc(C#N)o1 1613320332 MKIIHHWMYZVYIN-OAHLLOKOSA-N 434.504 2.125 30 10 IEEE CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1614239866 NEZOBAJJUSARQS-SAZZCXPWSA-N 446.577 2.378 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(C)COCCO1 1616960935 RUNYUCXMCHOLKN-SIKLNZKXSA-N 427.505 2.070 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)C1 1617242080 ULSZWZAIDUVFBS-IBGZPJMESA-N 440.548 2.221 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1618527134 AOQORUBUWNZQFU-JOCHJYFZSA-N 432.569 2.221 30 10 IEEE C#CCCN1CCC(NC(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1618545829 OOUZMOSBCYZZRZ-URXFXBBRSA-N 427.545 2.407 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)COCCO2)cc(OC)c1OC 1619071544 CZAONYXYTYBLFR-OYHNWAKOSA-N 445.520 2.372 30 10 IEEE COc1ccc([C@H](C)CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1619154114 AKQJFABOQHOPJU-XLIONFOSSA-N 438.532 2.332 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OC)cc1OC 1619210721 HFBVOOYCVVHPIN-QGZVFWFLSA-N 436.472 2.143 30 10 IEEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1O 1619269799 HPOIJEUXOSBZGM-NRFANRHFSA-N 437.435 2.130 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCc1nnc2n1CCCCC2 1619913653 KAQYURWHVHONCE-QGZVFWFLSA-N 428.541 2.057 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccccn1 1625004482 YBZMRFIWIUUEPW-GDRCOGEISA-N 428.489 2.199 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 1634324167 LDFOBXKWDDGWNA-GBXCKJPGSA-N 429.561 2.389 30 10 IEEE C=CC[C@@]1(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CCCN1C(=O)OC(C)(C)C 1635005866 FRFGAPVXSCRQRW-MBSDFSHPSA-N 434.581 2.144 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1635196799 KODXIONBCMDGKV-QGZVFWFLSA-N 446.349 2.445 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1636700179 PLNXLJQLUZXNPU-HZPDHXFCSA-N 432.546 2.034 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ncccc2C1 1638088007 XDHOGRARGIAFSU-KRWDZBQOSA-N 428.514 2.100 30 10 IEEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1639000071 PUWLALLBZKMXBI-AWEZNQCLSA-N 438.502 2.024 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCNC(=O)OCc2ccccc2)CC1 1639077503 YVRHDRYGBCLXGR-UHFFFAOYSA-N 425.464 2.455 30 10 IEEE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1644174700 FKGGOOLRHGHXLU-IAGOWNOFSA-N 428.489 2.342 30 10 IEEE C#CCN(C(=O)c1cn(CC(OCC)OCC)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385787 WYFCINXRXRRSEU-UHFFFAOYSA-N 449.552 2.152 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)C1CCOCC1 1665156100 JNDLDQDOOVDDOS-ZDUSSCGKSA-N 447.307 2.381 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](c3ccncc3)C3(CO)CCC3)C2=O)cc1 1672353973 URWOYZPKLOIWIN-LEWJYISDSA-N 433.512 2.257 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c(C#N)cn1CC 1672409910 DXYYQWYWSRKPTF-GFCCVEGCSA-N 429.399 2.231 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675114122 YZBNIEOMGLBARI-IRXDYDNUSA-N 448.568 2.454 30 10 IEEE COc1cc(CNC(=O)N2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)ccc1C#N 1682153795 IESNMHOZFDJYTF-QFIPXVFZSA-N 430.505 2.488 30 10 IEEE C#CCC1(NC(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CCOCC1 1685470746 SDJLXZDKQBVWMN-MRXNPFEDSA-N 429.521 2.146 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689992329 JJZIBCIPNTXFBT-RTBURBONSA-N 434.537 2.060 30 10 IEEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCN(C)C1 1690449764 QGSUOZVMZWIQRY-QFIPXVFZSA-N 430.553 2.255 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(F)cc2)CC1 1690673398 VCFBXJMWXKCRGE-UHFFFAOYSA-N 435.507 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(OC)C1 1690715584 OLZRCUPBBUYCHE-OAHLLOKOSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2)CC1 1690724024 GMBDXWJLWLXSKA-LJQANCHMSA-N 445.589 2.100 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCS[C@@H](C(C)C)C1 1690726494 BWDZERUDVUFZCJ-GOSISDBHSA-N 435.619 2.443 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1690923336 RMRKRNYNFJYAKJ-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1692671311 ZBYYPYOPCJVFMH-SNVBAGLBSA-N 432.282 2.249 30 10 IEEE Cc1ccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1693156223 DHJAFLKWCJPVMC-UZLBHIALSA-N 433.509 2.010 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCCC1 1694342992 FYDPEZLGEXXHHA-NRFANRHFSA-N 429.569 2.372 30 10 IEEE COc1ccc(CCc2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1697402050 LRCVSDPEZYSDSS-GHVJWSGMSA-N 448.527 2.365 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1705486848 MPFNBGQETVCFLQ-DOMZBBRYSA-N 445.321 2.154 30 10 IEEE C#CCCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705522035 SSRJGWZAWBUQPT-NZQKXSOJSA-N 426.565 2.299 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1705587539 ZCICWMNVYZNHNF-SFHVURJKSA-N 442.564 2.338 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(F)F)cc1 1705620836 IERIADZDYOFSMB-UHFFFAOYSA-N 433.459 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CCO[C@H]1C1CC1 1705621992 UJWPSXVSMVMMCI-CVDCTZTESA-N 438.532 2.217 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C1CC1)N(C)C 1705628505 JBDPEVZRTDZVCV-GHTZIAJQSA-N 425.533 2.217 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nccn2C(F)F)CC1 1705636653 SHQKYLZXZHTWKR-UHFFFAOYSA-N 432.866 2.389 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705662628 FMYVUNJITQDSCI-HXUWFJFHSA-N 437.573 2.041 30 10 IEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)C#C 1705663941 SKFRJLRRVICJPV-NRFANRHFSA-N 436.629 2.467 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C 1705668760 SRYSDIBWUWVJRT-SPYBWZPUSA-N 425.624 2.412 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(F)(F)CC2)C1 1705916048 NKYCXVKEQKHDRK-GOEBONIOSA-N 447.552 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)C1 1705916662 QPTCYHKDQIFQAQ-GOEBONIOSA-N 425.580 2.088 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1)N(C)C 1706783225 HHFNLDIYHAGSHC-GOSISDBHSA-N 425.581 2.314 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1[C@@H]1C[C@H]1CF 1708751752 UNCCOOMWIBPITM-FUHWJXTLSA-N 440.527 2.320 30 10 IEEE COCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1712395508 SXYGDICVMZHTBM-YWZLYKJASA-N 438.504 2.065 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)CC)c1 1722307186 JWZVWGQJPCVTRH-XMMPIXPASA-N 449.559 2.357 30 10 IEEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722320160 YUCLSWSMMFVDKG-KNQAVFIVSA-N 426.609 2.413 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359130 QDKKGFLVCTWTIY-OALUTQOASA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722361189 XRENWHJIIRKVSF-GOSISDBHSA-N 433.578 2.204 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722365471 OITLWJNPXSUWEF-JXFKEZNVSA-N 443.573 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(SC)CCOCC2)CC1 1722447755 ORCGGXPILXOVMO-UHFFFAOYSA-N 433.622 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC2(O)CCC2)CC1 1722449669 XHGDERKPORYVHW-UHFFFAOYSA-N 435.572 2.448 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722453475 ULPJFWQNQJDYAE-JOCHJYFZSA-N 449.621 2.337 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722509481 PJLZZPYEEUHHFF-JKEDJMADSA-N 438.594 2.023 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1722517158 IIQHPKAOWWACQF-LJQANCHMSA-N 445.589 2.241 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722620031 HZAXXZZPOAOHIJ-MSOLQXFVSA-N 425.537 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC2(CCCC2)C1 1722730242 MNMVRFYXXYZNOE-UHFFFAOYSA-N 435.594 2.162 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cc2F)CCOC1 1723690203 IWIVKRXUMQBNAG-UWJYYQICSA-N 433.459 2.374 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1723866822 HFEDJLUCZRHERR-XLIONFOSSA-N 442.589 2.172 30 10 IEEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1726744250 NRENKHZFALPBEM-RHSMWYFYSA-N 447.465 2.168 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1729902211 DAGQDIZSGJLFOM-MOPGFXCFSA-N 425.537 2.394 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1730914957 ICCURCIVKGHYSX-HSZRJFAPSA-N 438.532 2.119 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1740530935 BHCCHTZUGXURIX-IAGOWNOFSA-N 429.546 2.040 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)F)CC1 1740577547 INOKTAJEHHSDHD-UHFFFAOYSA-N 436.532 2.460 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)OC)CC1 1740577763 OOARRPXLAGLZFF-UHFFFAOYSA-N 429.546 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1(CS(C)(=O)=O)CC1 1740658934 PBZYRMZYRFINFF-UHFFFAOYSA-N 440.569 2.453 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)c1 1740683964 HPXKKCNNSYXORY-UHFFFAOYSA-N 446.515 2.046 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](COC)OC)CC1 1740700399 RNFWLOXKFQTFHK-LJQANCHMSA-N 429.590 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2([S@](C)=O)CCC2)CC1 1740706002 OQRSMOKITLSJEZ-PMERELPUSA-N 431.606 2.203 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740718364 MYJNFBYVBNTFMW-HZPDHXFCSA-N 432.550 2.233 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)CC1 1740758790 BYXKWAAREGHQFC-CTNGQTDRSA-N 430.574 2.393 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740816596 ITBZUJAWHQAMFN-GHTZIAJQSA-N 439.988 2.230 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1745579309 FGTXVLIDOAPWMS-CYFREDJKSA-N 435.576 2.463 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1748747287 FZCCYHZPHQIGGJ-LJQANCHMSA-N 441.580 2.243 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc(-c3ccc(C)cc3)n2)CC1 1748971519 SYNGWZCVBHIDOC-UHFFFAOYSA-N 447.543 2.183 30 10 IEEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(=O)NC)C1 1749252400 ABPVWEGTERKCCT-KRWDZBQOSA-N 427.896 2.039 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCOCCCO)c1 1750378711 LDZFVVQEAJIFON-FQEVSTJZSA-N 425.533 2.347 30 10 IEEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1751363564 FGLYLPFCLLAHAW-KGLIPLIRSA-N 445.574 2.283 30 10 IEEE Cc1cc(C)cc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1751405115 BVJVYXJZINFBRO-DLBZAZTESA-N 434.566 2.180 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C(F)(F)F)O1 1752311420 AMZINRRWOKYWMQ-OWDMVUQNSA-N 448.449 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1760096663 QFRPWGMELXDSMX-INIZCTEOSA-N 427.472 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760122048 GSXFMPVARUFIEY-RCCFBDPRSA-N 444.605 2.227 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCc1cnccn1 1760135017 FULWLOSAENIJGX-UHFFFAOYSA-N 442.527 2.464 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760147930 IMCZJBHVUHFFTC-UHFFFAOYSA-N 431.562 2.227 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC=CCO1 1760238378 TXVRCOSNTLMJET-HSZRJFAPSA-N 434.588 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cc(C)ccc2OC)CC1 1760273210 LINDGKQWQNUHRE-UHFFFAOYSA-N 439.560 2.340 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccccc1 1760293378 TZGFJUNOVDGOLK-JOCHJYFZSA-N 438.557 2.254 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760399091 YQLLXJFCPAESFA-ZHRRBRCNSA-N 446.573 2.291 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760451780 STNOULSWIAHMPY-WMZHIEFXSA-N 441.532 2.346 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1760516698 SZBBGGVGAQOZOZ-ROUUACIJSA-N 440.548 2.004 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1760548444 GSSKRJWZXUUZEL-UHFFFAOYSA-N 441.504 2.355 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1763401779 HTNAMWAMGCSUCA-GYCJOSAFSA-N 447.543 2.270 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1764191672 KHSCHBFNFRLXDQ-MOPGFXCFSA-N 442.520 2.094 30 10 IEEE CCS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1768300081 GEVUGERCNOKKPW-HXUWFJFHSA-N 434.541 2.077 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@](C)(C#N)C1 1768526473 RUQABNQJRNLTCN-GOSISDBHSA-N 437.957 2.015 30 10 IEEE CN(CC1CCCCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768779706 WZTXUYNVZILZEC-DPPKGPFUSA-N 428.537 2.325 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)C[C@H]1O 1769449935 WQVMNTJLLJXUAJ-QZTJIDSGSA-N 441.557 2.463 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)C1 1770126309 HRRQLWZWCWQINE-LJQANCHMSA-N 427.505 2.007 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)N(C)c3snc(N4CCOCC4)c3C#N)CC2=O)cc1 1851430197 CBMDDKWTLLBTEZ-QGZVFWFLSA-N 439.541 2.171 30 10 IEEE Cc1cccc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1C 1851709087 CPSCJYHETZCQEF-NRFANRHFSA-N 447.539 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851771976 ATWFMGQJNPKVRM-LJQANCHMSA-N 443.548 2.408 30 10 IEEE N#Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)c1F 1853290139 XIFVHGFYUGUQQC-UHFFFAOYSA-N 436.422 2.452 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1 1853779563 AUTRPOYKJBZMGI-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1856223061 ZYNDKYSOVDJBNT-CQSZACIVSA-N 431.901 2.415 30 10 IEEE N#Cc1cccc(-c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccn23)c1 1858331354 KHILWHJNSFXRDH-UHFFFAOYSA-N 445.504 2.493 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NC2CC2)nc1C 1858791884 MLFQYXUNJKRPBO-UHFFFAOYSA-N 431.474 2.491 30 10 IEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1C 1870151249 QHBROVOZEXKVLL-MRXNPFEDSA-N 444.451 2.446 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOc2ccccc2)cn1CCO 1870327977 WMIZSPJPWPQMPY-UHFFFAOYSA-N 442.512 2.016 30 10 IEEE CCc1sc(C2=C(N)N(CCNC(C)=O)CC2=O)nc1-c1ccc(OC)c(OC)c1 1873528250 NHGLGITVCDPJNI-UHFFFAOYSA-N 430.530 2.038 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891198438 QSZJHXSLBWINSP-SFHVURJKSA-N 439.541 2.427 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(N)c2)CCN1Cc1ccccc1 1914862152 OZOIJTKDBJMTBT-HNNXBMFYSA-N 435.347 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2011424204 FSAQWIGDCNMTQK-HNNXBMFYSA-N 440.541 2.062 30 10 IEEE COC(=O)[C@@H]1[C@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@]24CCC(=O)O4)[C@H]13 2037666380 DDHQRXOAZNEFKY-UJTUJZCWSA-N 430.497 2.095 30 10 IEEE CC1(C)OB(c2cnc(NS(=O)(=O)c3ccc(Br)s3)nc2)OC1(C)C 2102371529 GZDCWKNRXJNXFA-UHFFFAOYSA-N 446.157 2.401 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)O1 2141676490 AGECOVBZGPGNEJ-HOTGVXAUSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](CO)C1 2224079819 NFDBNVVGZSNALC-NVXWUHKLSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](O)[C@@H](N)C#Cc2ccccc2Br)C1 2227476029 OAKMRDPKBCUUBT-GVDBMIGSSA-N 425.323 2.125 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243369458 CWECKJAFHYPRGM-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cnn(C)c2I)C1 2247566952 LUWJKWWQGYWTAF-UHFFFAOYSA-N 444.273 2.270 30 10 IEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNOCc1ccccc1 2255639594 QBSKPBWDPCONLL-UHFFFAOYSA-N 426.322 2.446 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)cs2)OC1(C)C 2255849443 APWVGSDRKJXCAV-HSZRJFAPSA-N 442.390 2.414 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255879932 XMGBRLWYVPUXOJ-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2256621010 PKUMEWZNERRKRM-BLLLJJGKSA-N 438.305 2.338 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256624606 ODSIXQPRUWLNSS-KRWDZBQOSA-N 434.342 2.427 30 10 IEEE C[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2258959720 VVHTZGGRTSVMAP-KRWDZBQOSA-N 435.374 2.069 30 10 IEEE CC(C)[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2267139743 KOVWBUOUWGUGFH-RHSMWYFYSA-N 448.373 2.473 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2267271891 VQJAQKFRZIKPAU-KRWDZBQOSA-N 445.369 2.454 30 10 IEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)o1 2267501703 BSTVCNACTVBHSB-UHFFFAOYSA-N 448.285 2.281 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1 2267524614 SIOQQSZKMLASIR-GJZGRUSLSA-N 448.373 2.330 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267551847 OSHMWFQVLZCYMJ-GOEBONIOSA-N 446.357 2.151 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268655982 RNQCRAFAWUPVID-KRWDZBQOSA-N 446.353 2.415 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268709533 CNJHIKZUYJDNEF-SFHVURJKSA-N 448.369 2.220 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271395976 VEOOZPKITPGUAQ-GOEBONIOSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278740755 YHJVFJRTRZSNCC-QAPCUYQASA-N 444.347 2.244 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2300300281 NGYRNHNBWRXAKD-WDNDVIMCSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304833 PHGANOKRVFKVMX-ODXCJYRJSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2312849514 AZKWWBVVUKYHPD-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]12 2312973646 JSJBMFCAHXAMSG-HKZYLEAXSA-N 449.382 2.362 30 10 IEEE COC[C@@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C=CCN1C(=O)OC(C)(C)C 2314790559 DBWZVZUFLPRNDM-JOCHJYFZSA-N 434.342 2.320 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCCC(=O)O)Cc1ccccc1 2315601920 KGNXTRZPFSITIH-UHFFFAOYSA-N 427.310 2.227 30 10 IEEE O=C(CSc1nncn1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC1CCCCC1 2321295713 HSLAPMPRUHTDFL-UHFFFAOYSA-N 446.489 2.381 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2331230290 HVSPTBGJDVSSKR-ARFHVFGLSA-N 444.341 2.217 30 10 IEEE Cn1c(=O)c2c(nc(NN=C/C=C\c3ccc([N+](=O)[O-])o3)n2Cc2ccccc2)n(C)c1=O 254834494 AEQJBSUYTZUXOQ-QNDRJEQWSA-N 449.427 2.094 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)N2CCS(=O)CC2)cc1 444025120 OWSMHFYBAHIGBF-UHFFFAOYSA-N 432.590 2.465 30 10 IEEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 475309842 YUEXJKMVXZERTD-YADHBBJMSA-N 445.523 2.496 30 10 IEEE CCCOc1nc(C)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 477870530 YFZPDQDHLRYNRH-UHFFFAOYSA-N 428.514 2.197 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)C2=O)cc1 479051602 ALFLLOCHHGZFNF-SFTDATJTSA-N 449.486 2.293 30 10 IEEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 485766100 MNEWAOMJYMUAOE-HXUWFJFHSA-N 437.569 2.082 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)C2=O)cc1 505664682 SUYUKJKWTGVRLX-VQTJNVASSA-N 436.537 2.465 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)Cc1ccc(C(=O)OC)cn1 506933249 VSWJNKSRPSVJDQ-UHFFFAOYSA-N 428.470 2.295 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2ncccc2C#N)CC1 508935248 MUUVYFOHXINZPB-UHFFFAOYSA-N 429.484 2.496 30 10 IEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508958547 ATGGURGUIMIMHX-GOSISDBHSA-N 441.532 2.224 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(CNS(C)(=O)=O)CC3)c2C#N)C1 510250439 DZBDTIJKZSSEHB-AWEZNQCLSA-N 438.619 2.334 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl 511927770 RNVWQHRVKMMHMU-UHFFFAOYSA-N 439.946 2.297 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1 549903374 IBQBEJFIUHIYCG-UHFFFAOYSA-N 433.556 2.239 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccnn2)CC1 558984407 UXXFMTGWHJIQCG-UHFFFAOYSA-N 439.545 2.041 30 10 IEEE CC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H](c1ccc(C)cc1)n1cncn1 586859998 OOUFVSAIKIOCBQ-RTWAWAEBSA-N 434.475 2.398 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)cc1 592966950 NNEIWSWNMJSEBP-OAHLLOKOSA-N 425.485 2.306 30 10 IEEE COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 607717813 KMKKMZWKEBOOQX-KRWDZBQOSA-N 448.325 2.476 30 10 IEEE COC(=O)c1nn(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)c(C)c1Br 733993732 BRNVRCVWNAFYSB-MRXNPFEDSA-N 432.322 2.408 30 10 IEEE CN=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1ccc(O)c(O)c1O 747576982 ZBOXVLIOQKDLQJ-JTQLQIEISA-N 426.454 2.466 30 10 IEEE C#CCN(C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 754059676 UFXXRYZPZRUNBD-RBBKRZOGSA-N 446.594 2.137 30 10 IEEE CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 757719878 FPCQBBFPNBFKTF-ZFWWWQNUSA-N 434.497 2.062 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)CC1 758662648 MBMKKLUZKDMDLZ-UHFFFAOYSA-N 435.615 2.381 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)C1 780895100 WKKMFNSOGKAUTG-HRAATJIYSA-N 427.526 2.329 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781662476 SFESXPGHAIMXFC-CQSZACIVSA-N 443.569 2.085 30 10 IEEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(C(N)=O)cc1 783014634 JTBRIBAHCUONPN-OASPWFOLSA-N 428.436 2.194 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CCCN1C(=O)OC(C)(C)C 790680541 BYTKMHZCEDPHQL-OPAMFIHVSA-N 431.537 2.296 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 790843012 MWMHLZNGJCPVBR-HNNXBMFYSA-N 428.532 2.231 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCCO3)c1=O 794607277 IIENKFOBAJRFIR-UHFFFAOYSA-N 433.464 2.398 30 10 IEEE CC1(C)SC[C@H]1N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 802721163 QQMYCTJRIJFBIP-LSDHHAIUSA-N 432.571 2.280 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 812177647 LFCJIQORLRHKJE-KRWDZBQOSA-N 448.568 2.125 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC2(CC1)OCCO2 812187138 LMGZSWJXTPLXTM-UHFFFAOYSA-N 446.577 2.466 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1)c1cc[nH]n1 813613504 PGYGJNHYKYBQFI-HNNXBMFYSA-N 430.465 2.098 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1)c1cc[nH]n1 858028732 OCRDHWSDPQNYRL-KRWDZBQOSA-N 441.488 2.036 30 10 IEEE C=CCOc1ccccc1CNc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 863992770 LAEPPJSFSFVLPY-GOSISDBHSA-N 436.555 2.329 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)ON=C1CCOc2ccccc21 915214556 DNMNMKZIPPAJQB-AWEZNQCLSA-N 447.513 2.476 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 916178615 GDTZQAAXSSPABF-ZHACJKMWSA-N 437.521 2.456 30 10 IEEE COc1ccccc1[C@@H](O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 916695152 YKIIWSBLBONYHW-XFBWPPDYSA-N 446.529 2.363 30 10 IEEE CN1C(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)C(=O)C12CCCCC2 917241431 JWPZULGLYNZMNA-UHFFFAOYSA-N 432.864 2.290 30 10 IEEE Cn1cc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(=O)n(C)c1=O 918630449 RSWWQSAPTWDADU-KHPPLWFESA-N 432.455 2.337 30 10 IEEE Cn1cc(/C=C/C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(=O)n(C)c1=O 918660014 ZADRSOHYYPLTNW-FMIVXFBMSA-N 430.464 2.381 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084158541 LHUVUDPXRXKCIQ-UHFFFAOYSA-N 426.462 2.385 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C#N)c3)CC2=O)cn1 1129357568 BAYJIRRGFBQOMY-ZDUSSCGKSA-N 432.278 2.155 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(c3cnc(O)nc3N)CC2)s1 1138275755 FSRKWAZHIGVABL-UHFFFAOYSA-N 440.982 2.265 30 10 IEEE Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)n1 1141832276 SXECJBWXUTWJQN-UHFFFAOYSA-N 427.461 2.251 30 10 IEEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H]1c1cnn(C)c1 1144977652 LMROVOWGGCWRGF-NJDAHSKKSA-N 431.452 2.213 30 10 IEEE C[C@H](CC(=O)N1CCC(c2ccc(F)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1149403942 NLAXSDNANQCBJC-CQSZACIVSA-N 430.505 2.444 30 10 IEEE Cn1c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc(=O)n1-c1ccccc1 1156208208 CXBWPSRNCSBIQP-MRXNPFEDSA-N 449.898 2.370 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCC[C@H](C)O3)nnc12 1161657022 PKVSCIVSWHBTNE-GJZGRUSLSA-N 427.530 2.396 30 10 IEEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1163597924 GUWYZMPOORQXRG-CYBMUJFWSA-N 431.341 2.500 30 10 IEEE CN(CC(=O)NCC(=O)Nc1ccccc1Br)C[C@@H](O)c1cccc(C#N)c1 1171791315 GXWPWVGZJCXWTK-GOSISDBHSA-N 445.317 2.041 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC[C@@](C#N)(c2ccccn2)C1 1196789409 KMOUMOACICAWJD-VGSWGCGISA-N 441.557 2.216 30 10 IEEE CCc1nn(C)c(OC)c1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1230944743 HCAVRCSYDQXTHJ-UHFFFAOYSA-N 448.531 2.285 30 10 IEEE C=CCn1cc(CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)nn1 1276646042 BXLCTFDUDWIYDL-UHFFFAOYSA-N 427.324 2.095 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286387085 NTNLWNZWLJUTLQ-ROUUACIJSA-N 445.564 2.195 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286391906 JTIXZJKQCMNADQ-FUHWJXTLSA-N 446.548 2.464 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1286392130 GDLUDHLESZZQFR-AEFFLSMTSA-N 448.589 2.388 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(O)CCSC2)CC1 1286472557 JLPKZPNIUYRXDP-REWPJTCUSA-N 425.602 2.443 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1286512731 NMWOIRKQTSKLRR-INIZCTEOSA-N 427.640 2.050 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286712008 WMOQMVOIXKZOTN-CTNGQTDRSA-N 428.581 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286820683 PDNGDCYLBPROTD-QGZVFWFLSA-N 434.610 2.270 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS2)CCO1 1286940742 DEHSAAWCBKDWDS-MOPGFXCFSA-N 426.546 2.054 30 10 IEEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCO[C@](C)(C#N)C2)cc1 1289339430 QLBLNRWMPKQLLS-JTHBVZDNSA-N 439.537 2.252 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(SC)c1 1292133178 GGJAVHYIFOMNKK-INIZCTEOSA-N 429.550 2.090 30 10 IEEE C#C[C@H](NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2)[C@H]1CCCO1 1296701128 LKRDYHIXGWMZOQ-YTQUADARSA-N 427.501 2.375 30 10 IEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)CC1=O 1298890097 BEIGCVXKXPYEGK-UHFFFAOYSA-N 436.545 2.292 30 10 IEEE CO[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)CCOC1 1299794107 BBLVBZVMDADGHZ-BTYIYWSLSA-N 446.939 2.263 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1300286279 HERAUWSFVVIMLX-WFASDCNBSA-N 430.896 2.053 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@@H]2C)n1 1300680844 GCSRIJBTXYZGOV-PMACEKPBSA-N 449.559 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncccc2C)CC1 1300729107 NEOUSNANRXXTFV-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1300885266 OIEWQCBAUYHCKQ-MHORFTMASA-N 438.594 2.165 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)C1)OC 1301028719 AICSLIOKUTUJQT-KNQAVFIVSA-N 429.521 2.395 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1301050798 DROREGUMNIOTLF-MRXNPFEDSA-N 445.959 2.467 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1301259636 OFPZSAKRNZCGFV-QHCPKHFHSA-N 443.523 2.230 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CC)C1 1301477536 BPWOYVMANITWOH-SFHVURJKSA-N 426.521 2.065 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1316032623 HTUSHMSQDJNFCF-INIZCTEOSA-N 436.520 2.428 30 10 IEEE N#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1Br 1352746619 GSMBVIKKAPWXHD-KGLIPLIRSA-N 427.320 2.129 30 10 IEEE CS(=O)(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1355235413 GVOZNTMKZCTQIY-OAHLLOKOSA-N 446.916 2.252 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358899467 NULKTPKARGEORL-QGZVFWFLSA-N 448.614 2.276 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1358912964 CEMVGMGTUOOHRP-LJQANCHMSA-N 431.562 2.051 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1N1CCOCC1 1358933063 GPJSEXLJSHXNBJ-UHFFFAOYSA-N 436.560 2.287 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1358933635 ZRRWRSOXHXEXFZ-FQEVSTJZSA-N 433.564 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N(C)C 1358986276 SCOQECDGIWWCON-UHFFFAOYSA-N 439.585 2.102 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCN(C(C)C)CC1 1359021458 PKYJLISIYBZWKM-UHFFFAOYSA-N 441.576 2.275 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359123314 YJHIVVRVRXBMDN-QFIPXVFZSA-N 439.608 2.071 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359185387 VGSULTHCKXJVPU-QGZVFWFLSA-N 435.536 2.225 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359207496 MMLRBDMOKJFMGG-INIZCTEOSA-N 432.550 2.295 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(N)=O)C1 1359209658 UXUYRFRVVONABR-INIZCTEOSA-N 445.593 2.215 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ncc(CC)s1 1359304209 QGMKZTBWLPWVIP-UHFFFAOYSA-N 428.566 2.097 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1359307795 VKWVAHQQQUCNGV-SJLPKXTDSA-N 434.562 2.264 30 10 IEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359344227 POVJGRMTNJAMDM-LJQANCHMSA-N 433.553 2.269 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359344515 AMGLKKGGYRVMOQ-HXUWFJFHSA-N 428.606 2.342 30 10 IEEE CC(C)c1nnc(N2CCN(C)c3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359715628 GZBJTYNQQBHFJM-LSDHQDQOSA-N 435.532 2.384 30 10 IEEE C[C@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1360834605 HSORYFVILXNXEW-DLBZAZTESA-N 439.289 2.283 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1361017751 BRYHUYLTWUHSMV-WMZOPIPTSA-N 439.520 2.201 30 10 IEEE Cc1ccc([C@@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2C(C)(C)C)N2CCOCC2)o1 1361140418 AJKUNAQVVOPTLD-ZWKOTPCHSA-N 428.537 2.279 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CSC[C@H]3C(=O)N3CCCC3)C2)C1 1440744358 DAWXLRBKZFBXAO-JBLFJGJOSA-N 448.589 2.297 30 10 IEEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)c3ncc(C#N)cc3Cl)c2)CC1 1443200577 HWZKBMHYNGOXOX-UHFFFAOYSA-N 433.921 2.185 30 10 IEEE C#C[C@@](C)(CC)NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1460131006 LRIBLSPSNFERQS-CHMLTUNVSA-N 445.541 2.248 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 1463685752 CIGGPEUJQAHPHE-UHFFFAOYSA-N 437.518 2.003 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)c1OC 1464948263 YPZBTCQZIDYKKM-KRWDZBQOSA-N 432.521 2.374 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3C(N)=O)n[nH]2)c1C 1466156701 JKUNIESNTYVTPG-UHFFFAOYSA-N 449.515 2.264 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 1469460135 BPHXXAPTXTUMQZ-UHFFFAOYSA-N 425.388 2.278 30 10 IEEE CNc1cnn(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c(=O)c1Cl 1473057482 BDGYEGWDTZKUDQ-CYBMUJFWSA-N 444.923 2.308 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)CC1 1478477754 PJSNEFJEGDRVTI-FPEPUJCJSA-N 428.533 2.200 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1501929171 GXVKWJPODYUGAI-QGZVFWFLSA-N 445.518 2.366 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)C1 1507797191 RMQCVHKXOCNBAS-DYESRHJHSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](OCC(C)C)C1 1508078498 CHNCENFJTWMBOS-KRWDZBQOSA-N 427.505 2.227 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1508399064 CFRSATDWWYBUDP-OAQYLSRUSA-N 448.531 2.330 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1508411039 IFIBUPBLDAPCQP-QWHCGFSZSA-N 426.493 2.005 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1510074768 AOGVTYAKMSTMMU-YJBOKZPZSA-N 444.923 2.250 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)c(OC)c1 1518163367 KLKZQMJTYVWVGX-AWEZNQCLSA-N 436.472 2.142 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(CC4CCCC4)n3CCOCCCO)CC2)c1 1521111335 WLDDUEIBJVFEPG-UHFFFAOYSA-N 439.564 2.003 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3ccc(CNC(=O)C(F)(F)F)o3)CC2)c1C#N 1524095780 PKNNAZFNPNRKLC-UHFFFAOYSA-N 427.408 2.057 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(=O)NCC)CCC1 1539155461 VPMOWDNAOOXOIT-UHFFFAOYSA-N 433.354 2.422 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1539182779 LRMRQOKMWRDJKQ-JOCHJYFZSA-N 429.565 2.285 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)N[C@H](C)CC)CC1 1539469541 BNHSOSPYCMWVAI-MRXNPFEDSA-N 440.548 2.117 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539540781 UMBCOXYEURRNLG-VGOFRKELSA-N 443.573 2.227 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 1539612131 JFAJMYLVECUMER-OALUTQOASA-N 430.597 2.416 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1539621449 ADZDISIFBVTMGT-DYESRHJHSA-N 443.523 2.360 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1540068902 FMXZSKHHDDHZGQ-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540913261 QTYSYADMYNNJNM-SFHVURJKSA-N 443.621 2.325 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1541292573 GQRYHVFWOHNMLC-OAQYLSRUSA-N 431.562 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(N4CCCC4=O)CC3)C2)C1 1543164633 DCNBWPKGYWWPKC-BNGSBABLSA-N 430.549 2.387 30 10 IEEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1548062227 QQODTYOIYTWSKB-RTBURBONSA-N 441.532 2.240 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CC1=O 1555584904 PULQXJBILWYCLW-RUCARUNLSA-N 426.496 2.250 30 10 IEEE N#Cc1cc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)ccc1F 1557695673 BCWAMSBWJFBCPR-UHFFFAOYSA-N 435.503 2.393 30 10 IEEE C#CCN(C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F)C(C)C 1558480334 UQENEWHDNUQGEX-UHFFFAOYSA-N 447.326 2.093 30 10 IEEE COc1c(O)nc(O)nc1C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558634153 VNUSCHGAJPSWPU-SYDPRGILSA-N 437.243 2.139 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC 1564957842 DPFAZQIELNYWQS-ZQIUZPCESA-N 427.339 2.499 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)[C@@H](O)C1 1565167212 PPCRTXDBRCUKRM-QUCCMNQESA-N 443.548 2.197 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1567417022 HBVNOQOXTPLBBT-KRWDZBQOSA-N 431.599 2.414 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 1567983099 MNBAVNNNKPONHQ-OAQYLSRUSA-N 438.549 2.447 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)C1=O 1568439932 IJWAQDUNFVEBJB-SCLBCKFNSA-N 434.459 2.490 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1570675149 RADXUQADBWOWFF-VAWYXSNFSA-N 431.470 2.079 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1584347989 NZFUYNNJIULPIV-BEFAXECRSA-N 434.512 2.210 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(C(F)(F)F)ccc3Br)C[C@H]1CS(=O)(=O)C2 1585138277 HKIGZSKAFQGMKX-HZMBPMFUSA-N 437.237 2.478 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1587767491 NLLHAIYOIYNUQD-OYHNWAKOSA-N 432.496 2.106 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1587870210 WWHKDRMAJSGKLO-UHFFFAOYSA-N 430.512 2.345 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CCOCC1 1587932380 QXJCNNXLIXPDOH-UHFFFAOYSA-N 434.587 2.330 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCOC[C@H]1C 1588083337 FDEIONRBZOUVNR-RTBURBONSA-N 425.508 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(N2CCOCC2)c1 1588149164 HWKBUFJSPMHCPA-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1593695201 CLFJQIYEEDPQFZ-AEFFLSMTSA-N 444.511 2.364 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)C1 1595743864 HDKQZVHPGSKXIF-GHTZIAJQSA-N 445.539 2.498 30 10 IEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1595890116 JIMNASWNOLMZOK-KRWDZBQOSA-N 437.516 2.018 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 1597217100 QCKRHJXWHXFGRU-LLVKDONJSA-N 449.314 2.421 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CC#N 1610313024 GKZCZJXRASITQA-QGZVFWFLSA-N 443.577 2.347 30 10 IEEE COc1ccccc1N1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1611044455 YWTJGZNSEZPOKX-HNNXBMFYSA-N 431.489 2.388 30 10 IEEE CCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614790173 UBVRQOYNFCGECU-UHFFFAOYSA-N 425.566 2.284 30 10 IEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1616500918 HLWDWMFZHKGHMA-GOSISDBHSA-N 431.500 2.360 30 10 IEEE COc1ccc(NC(=O)c2cc(I)ccc2-n2cnnn2)cc1C#N 1624699975 LUNIJOXSSRNAEJ-UHFFFAOYSA-N 446.208 2.399 30 10 IEEE CNC(=O)c1cccc(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1 1634203845 NUBVATLEDYYYGF-UHFFFAOYSA-N 441.329 2.475 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)CCCO3)cc2C1=O 1635338168 QVFZKEAHRJSBGL-MRXNPFEDSA-N 443.500 2.224 30 10 IEEE N#Cc1cn(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(=O)nc1O 1641029846 GAKISMVRVGVVNL-UHFFFAOYSA-N 446.492 2.224 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)[C@@H](C)c1ccccc1 1641210760 BSCSUALYHTWJMN-VDGAXYAQSA-N 443.569 2.421 30 10 IEEE Cc1ccc(C(=O)NCCc2ccc([Si](C)(C)C)cc2)cc1S(=O)(=O)NCC#N 1645634078 UQWJJACSAOXSHW-UHFFFAOYSA-N 429.618 2.315 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)c3cncc(Br)c3)CC2=O)cc1 1648712609 NBPSTCHUSOJIJY-AWEZNQCLSA-N 427.258 2.068 30 10 IEEE C=CCOC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)C(=O)OC 1663037413 GSKAWLMBWWQSIU-LBPRGKRZSA-N 426.716 2.266 30 10 IEEE C#CCN(C)CCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1666209372 OWKBWRHFOOXAEM-HIXSDJFHSA-N 433.578 2.356 30 10 IEEE C#CC1(O)CCN(C(=O)NCCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 1679222735 FYAPWRGJGJRXKH-UHFFFAOYSA-N 437.496 2.496 30 10 IEEE CON(C)C(=O)[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1687203749 KTXZQCHCHHEWRU-BIIVOSGPSA-N 427.292 2.207 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)C1 1687592987 FQHKZWUIOYVYDQ-CRAIPNDOSA-N 426.330 2.136 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689980156 MWHVIAIGSILVDJ-FDDCHVKYSA-N 442.585 2.036 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689987671 AIBCITCSIHCZOA-GOSISDBHSA-N 443.573 2.403 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1690101430 ZYBCVEAOAHZVLJ-IRXDYDNUSA-N 436.516 2.353 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690186662 TXRBCQGIECRCKO-BRWVUGGUSA-N 440.635 2.186 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](CNC(C)=O)C1 1690220197 UBGQEXQDRIHKRQ-GOEBONIOSA-N 444.374 2.263 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(N)=O)nc1 1690613931 YRNVJLPABSLGSL-UHFFFAOYSA-N 427.896 2.175 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690670704 HJOAMPQDVUARMB-NRFANRHFSA-N 438.576 2.105 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697777908 UQQVHXCCWNLSOW-HXUWFJFHSA-N 446.490 2.395 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1705514779 IQXFWHNVQDZGJG-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C)n(C)c1=O 1705575701 UGLGXEQBICLBCD-UHFFFAOYSA-N 431.496 2.091 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCOC2)n1 1705631661 LTOUCGBTLUKMGF-UYAOXDASSA-N 428.537 2.039 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705657134 UBHRJZSNHSOYQZ-QFIPXVFZSA-N 441.557 2.188 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705660616 ZUXAPRNUYNFZPM-UHFFFAOYSA-N 432.638 2.293 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1705739846 SUDBUVDGQOKPFZ-UHFFFAOYSA-N 429.521 2.127 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705906909 SKOCMBLTZDACQZ-SJORKVTESA-N 429.521 2.172 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO[C@H]2C(C)C)n1 1707832441 BYVNSFOYYNUORY-ZVDOUQERSA-N 427.553 2.320 30 10 IEEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1707930953 IBKUFMSVZVKEEF-SFHVURJKSA-N 440.529 2.288 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 1710266358 RVWBOCQCYFSNJG-AABGKKOBSA-N 437.592 2.456 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CCO1 1712302818 AVAMFQJUFNRTKU-QFUCXCTJSA-N 441.532 2.253 30 10 IEEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712620816 DITPRAJWDZIWLU-UXHICEINSA-N 427.505 2.242 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722346250 NKULLSABEXJCKO-OAHLLOKOSA-N 446.349 2.272 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCc1cnn(C)n1 1722418005 AYFZZOHQPLEHTE-UHFFFAOYSA-N 431.479 2.275 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722527272 DTWUGKHLPPSCTJ-CQSZACIVSA-N 440.426 2.286 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722699313 GEJFMCLSRJFDEH-NRFANRHFSA-N 449.559 2.274 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccnn2)CC1 1722736624 CWFMDJMUFAHFJC-UHFFFAOYSA-N 442.593 2.304 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1723983106 JBBJIBMHDIRBPN-RRMPHLOHSA-N 431.468 2.091 30 10 IEEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1727705728 AUHMNASFGDVDOQ-MLHJIOFPSA-N 438.598 2.033 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2CCOC2)c1 1730995295 VEMKIAJLCIACDL-YWZLYKJASA-N 433.509 2.217 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1740535647 SSEDTWCUACZSTB-JPYJTQIMSA-N 435.532 2.406 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740594857 DGZIKIYCIANMND-UHFFFAOYSA-N 447.543 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cccn2)cc1 1740658511 MVRWXFJJSBOTFS-UHFFFAOYSA-N 427.512 2.097 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nnc(C)s2)CC1 1740699834 VXDFYGCKGMELHT-UHFFFAOYSA-N 437.573 2.437 30 10 IEEE CC(C)C1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741395314 YPPDEMSMAUYVKQ-XUTLUUPISA-N 436.520 2.134 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCSCC2)CCOC1 1741722744 FLRVIRZBTBERCA-JOCHJYFZSA-N 448.637 2.498 30 10 IEEE Cc1nc(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCCCO)cs1 1742583604 ZNZQBTURXNUJET-UHFFFAOYSA-N 439.545 2.331 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC 1745285527 FSEDXCIDCPSJCR-IEBWSBKVSA-N 447.561 2.167 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCSCC)CCOC1 1746728475 MABJHEMSQKWKEP-NQIIRXRSSA-N 434.610 2.250 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748678555 VZFATAUBSCZFRG-MRXNPFEDSA-N 426.521 2.016 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1748722172 UJOHNSNEXXCEFD-NRFANRHFSA-N 449.603 2.200 30 10 IEEE C#CCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1748750461 HOKHZWFXSHVOOK-UHFFFAOYSA-N 440.592 2.289 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748808211 BJCRTKZQAXJSRE-MSOLQXFVSA-N 432.546 2.005 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCCCCC1 1748950214 LLTNMNRSNDLAER-HSZRJFAPSA-N 434.581 2.490 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1749218500 PLPNJLFLIIZQQM-GOSISDBHSA-N 449.939 2.151 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCS(C)(=O)=O 1760168028 LLCVASHZUPJAEN-UHFFFAOYSA-N 441.351 2.220 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCS(=O)(=O)Cc1ccccc1 1760177171 DNNURAQFBOQLOR-UHFFFAOYSA-N 440.573 2.214 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1760189575 PYZAYNONLVCTBS-UWJYYQICSA-N 433.578 2.087 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1760224768 YNQIMRNBXWGTGQ-LJQANCHMSA-N 438.532 2.042 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2=CCCCC2)n1 1760253251 XCUJZGRGXNLMEV-FQEVSTJZSA-N 437.548 2.212 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC=CCC2)CC1 1760255730 OOIOQBKQTMAULH-IBGZPJMESA-N 439.585 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@](C)(O)CC)CC1 1760271487 ZJNWUPDROUPITI-VWLOTQADSA-N 448.571 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccon1 1760558388 NRCJFNXGSJUGFQ-IAGOWNOFSA-N 437.566 2.422 30 10 IEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760563452 RTODGTAYENRVAK-KRWDZBQOSA-N 444.536 2.476 30 10 IEEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1762936727 BSVPNSJEGWVQDK-QGZVFWFLSA-N 442.589 2.314 30 10 IEEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1768075099 XNTDEPZKOBZXRM-WOJBJXKFSA-N 438.532 2.495 30 10 IEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1768086217 CGDHOHUBTKXVJG-RTBURBONSA-N 429.546 2.255 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1769152850 UMAOCTNWXZDDJF-UHFFFAOYSA-N 448.474 2.177 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C#N)o2)C1 1769408946 FBQMJBJUOYDMLO-AWEZNQCLSA-N 437.456 2.475 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1771535624 SZIJLSBDZJLTFS-ROUUACIJSA-N 426.496 2.005 30 10 IEEE N#Cc1ccsc1NC(=O)CN1CCN(Cc2nncn2-c2ccccc2F)CC1 1850449591 MFGABCRCPUFTTO-UHFFFAOYSA-N 425.493 2.096 30 10 IEEE COc1cc(OC)c(-n2nnc(C(=O)NCC#CCN3CCCCC3)c2C)cc1Cl 1850617702 JAGGOEXVMXWSPT-UHFFFAOYSA-N 431.924 2.465 30 10 IEEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)c1cc2n(n1)CC(F)(F)C2 1852010851 APAPPWOBJFAYMB-UHFFFAOYSA-N 442.879 2.035 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOCCOc3ccc(C#N)cc3)CC2)cc1 1852692004 OYXMHXFZTOGPGP-UHFFFAOYSA-N 429.542 2.269 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)cc2)cc1OC 1862571037 GKJKBGKRTQSMIX-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1C(=O)O 1862757538 IPPADADKPIPXLQ-PIGZYNQJSA-N 426.381 2.252 30 10 IEEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870108955 DSYZLHWYIFDEEF-QGZVFWFLSA-N 444.451 2.196 30 10 IEEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN1CCN(CC)CC1 1870413748 FOVRELPCOUGLMU-FQEVSTJZSA-N 438.572 2.428 30 10 IEEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870681286 AALFMRQVQISCAR-UHFFFAOYSA-N 442.535 2.401 30 10 IEEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871542998 UFPNVMIGJOQHAA-KRWDZBQOSA-N 426.521 2.246 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1ccc(C#N)cc1 1889320548 ZLZWHTIILYTDMY-LEWJYISDSA-N 428.558 2.080 30 10 IEEE CN(CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)Cc1ccccc1 1891455067 NNTMMMDTKVYUBY-OAQYLSRUSA-N 443.544 2.230 30 10 IEEE C=CCC1(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2(O)CCC2)CN(C(=O)OC(C)(C)C)C1 2022930310 SFFGCYJLTGCQBB-HNNXBMFYSA-N 439.553 2.477 30 10 IEEE Cn1nc(Br)c(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)n1 2226962093 OUQZCMXQZBWHSV-LLVKDONJSA-N 429.319 2.171 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)C1 2247565960 ZMLISTHNJVPCKD-QWHDWNGZSA-N 431.455 2.209 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H]1CO 2254804683 ZVOILTKYPCIKSJ-WBVHZDCISA-N 433.358 2.093 30 10 IEEE Cc1c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255536981 PSDOWXORLZPCQQ-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)n1 2255635213 FQLYACZIGBXGNH-CQSZACIVSA-N 436.362 2.093 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]21 2255696478 USWGFZZRVYVXFV-IAGOWNOFSA-N 429.326 2.215 30 10 IEEE CC1(C)OB(c2cccc(S(=O)(=O)N(CCC(N)=O)Cc3ccccc3)c2)OC1(C)C 2255751961 DSZCDOKXWTVTPY-UHFFFAOYSA-N 444.362 2.052 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255803959 XBQXNSYABZYCFE-BTTYYORXSA-N 449.382 2.285 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256068300 ZRGLVGPEWBYWRZ-CQSZACIVSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256638880 KJYOSBDWGQEXBK-ZHRRBRCNSA-N 436.358 2.442 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267012012 NZAYPPZYLKVXKT-CABCVRRESA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267090133 JYESMCZHZNCPKY-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267110895 KGDOIYINGNPIDB-INIZCTEOSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2267181222 PRVCDPSLVGHERB-UHFFFAOYSA-N 447.316 2.355 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267274108 VTEQVTJLBHWPMW-MSOLQXFVSA-N 446.353 2.086 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(Cc2ccccc2)C1 2267504376 RDNFWTRKAYKGJG-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267536455 JLANHAXOGYSXAI-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE Cc1cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267606458 XWQZOLGZHLCKIC-MSOLQXFVSA-N 446.353 2.316 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267815290 GZTGQBSSBOCKLY-QHCPKHFHSA-N 447.385 2.424 30 10 IEEE CCC(C)(C)N(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286032294 BWDLASPIJDJPDM-QGZVFWFLSA-N 439.534 2.188 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315693472 LCZNDOXEACCQNL-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE CN(C)CC1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2320676134 AOKNMPBOBHNQHC-UHFFFAOYSA-N 433.358 2.311 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(C#N)c(Br)c1 2335435970 MVIXNCMEHCKFFU-ZDUSSCGKSA-N 446.323 2.197 30 10 IEEE COc1ccc(OC)c(NC(=S)/N=C(/NCC(OC)OC)Nc2nc(C)cc(C)n2)c1 14155935 HTGMWSAAZGQHDW-UHFFFAOYSA-N 448.549 2.484 30 10 IEEE COc1ccc(N/C(=N/C(=O)c2cccc(F)c2)NCCN2CCOCC2)cc1OC 46134975 JXNGGZSLQCGPCX-UHFFFAOYSA-N 430.480 2.373 30 10 IEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccn2)cc1 170353478 ASIDKPOKXLAYPH-QGZVFWFLSA-N 425.422 2.105 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN(CCCO)c2ccccc2)CC1 438487327 AFOANRWJRTWJJX-UHFFFAOYSA-N 435.484 2.344 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc3ncccc3c2)CC1 472530757 XUFXSLCYAHJRAZ-UHFFFAOYSA-N 435.509 2.323 30 10 IEEE Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 478168658 JTXWDSSFLYTDIT-UHFFFAOYSA-N 444.532 2.400 30 10 IEEE C=CCN(CCOC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 482370156 HSHWACMTEVPCBN-INIZCTEOSA-N 431.352 2.263 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1 492305815 WYCSGGUYHMCKLC-ZDUSSCGKSA-N 444.757 2.316 30 10 IEEE Cn1nccc1[C@@H]1CCCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 500395973 OAZHLBKUWHMLEZ-IBGZPJMESA-N 449.515 2.416 30 10 IEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2cccc(C#N)n2)CC1 508475355 YUOXIVUZUWVEBF-UHFFFAOYSA-N 439.483 2.373 30 10 IEEE CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1n1cccn1 555476696 YUUHGOSORQGGKL-ARFHVFGLSA-N 425.308 2.214 30 10 IEEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 558456450 WHZAIPLUNAGCHB-LJQANCHMSA-N 444.605 2.266 30 10 IEEE Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c(O)cc21 562234353 WLZBAVDAPWXSRV-UHFFFAOYSA-N 426.376 2.274 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1Cc1ccccc1 565990206 SLBXMSQXMWBSRF-UHFFFAOYSA-N 441.965 2.478 30 10 IEEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 582038304 FEFBJBMJEGSBFJ-PZJWPPBQSA-N 437.500 2.265 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C#N)c2ccccc2Br)c1 610429009 HPVUMIATOOHEBG-OAHLLOKOSA-N 425.308 2.459 30 10 IEEE Cc1c(C(=O)NCc2ccc(C#N)cc2F)cc(Br)cc1S(N)(=O)=O 610472896 JTAFNZJAWLIZPM-UHFFFAOYSA-N 426.267 2.346 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)C1=O 616089435 WQNJFAAHJZQXLI-PNLZDCPESA-N 430.480 2.317 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2C1=O 641946004 SAVOQNYEHAZCHR-UHFFFAOYSA-N 433.464 2.075 30 10 IEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670197082 VWRHEDFZHAUOGD-QGZVFWFLSA-N 440.504 2.011 30 10 IEEE CC(=O)N1CCC(NC(=O)CON=C(N)c2ccc(COc3ccccc3F)cc2)CC1 725792341 IDVUIBNWLGTPSO-UHFFFAOYSA-N 442.491 2.169 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 732455331 FBXZUSROQBOVGF-ISLYRVAYSA-N 448.405 2.217 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 742278948 OTGPJPSQSGXSNC-UHFFFAOYSA-N 437.880 2.263 30 10 IEEE C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)C(=O)N(C)CC(=O)NC1CC1 744926313 VAWLOFWKKFLPPQ-CQSZACIVSA-N 425.441 2.013 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 747268902 GYGGNGAJCMPXAE-DBBZSVRUSA-N 425.510 2.271 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2)C1 760301941 PBBNVSJCGXWXDM-IAGOWNOFSA-N 429.546 2.091 30 10 IEEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 763884524 NNTZCKTZHGDSNJ-UHFFFAOYSA-N 444.513 2.274 30 10 IEEE COC(=O)c1ccc([C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C(F)(F)F)cc1 775217715 XZABJZNZTUABRU-CFBLSMTOSA-N 425.363 2.109 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC(F)F)n(C)c2=O)cn1 775655105 ADWGSSJLNIAGDG-UHFFFAOYSA-N 444.463 2.041 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)N(CC#N)c3ccccc3)c2C1 782419512 FGTZXFYCWUUNDU-UHFFFAOYSA-N 439.472 2.416 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1C#N 785585059 SRKIFXINAZDFNN-LJQANCHMSA-N 437.887 2.476 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC[C@@H](OC)C(F)(F)F)cn1 786686874 CKYDSRSLWDWPLR-ZIAGYGMSSA-N 447.483 2.471 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCSC2)C1=O 794441127 OWDJNBIRHQSZMY-NVXWUHKLSA-N 431.587 2.063 30 10 IEEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 794610081 XSHNISMHKKIFGZ-INIZCTEOSA-N 431.517 2.292 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 798936643 JPNMIBSXFJFTJX-GOSISDBHSA-N 429.521 2.118 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO2)CCN1C1CC1 802690464 IFBGDDFRWRGQHB-ROUUACIJSA-N 426.496 2.352 30 10 IEEE C#C[C@@H](CC)n1c(-c2cnn(C)n2)csc1=Nc1cccc(S(=O)(=O)N(C)C)c1 803170721 ZJCLTRWJBLCGAJ-HNNXBMFYSA-N 430.559 2.412 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 856675042 ZDPSJNUNOOFFMU-NRFANRHFSA-N 429.546 2.452 30 10 IEEE CCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)cn1 1083944757 UNTDCJAARIVOJN-UHFFFAOYSA-N 427.494 2.156 30 10 IEEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(N(C)C)cc3)n2)o1 1084315620 WIZZHBDGPQGNJF-UHFFFAOYSA-N 443.537 2.232 30 10 IEEE CCOc1ccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 1084652579 CECKUMFRXBTIJD-UHFFFAOYSA-N 432.535 2.332 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1124738332 FUYBFBNUAWYLAG-PLTPHKKDSA-N 444.513 2.496 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1nccs1 1126731439 FGSDQSNIEURTMM-UHFFFAOYSA-N 425.482 2.488 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)c(N(C)C)cc3C#N)C2=O)cc1 1129436620 SVMQXJMPPJVVKQ-QHCPKHFHSA-N 435.484 2.347 30 10 IEEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1132036060 UMKQTPZIQBKMKG-SFHVURJKSA-N 442.493 2.461 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1141464011 WIJLFUQMROYKEG-WPRPVWTQSA-N 430.246 2.200 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2nc(-c3ccccc3)sc2C1)c1cc[nH]n1 1146310854 ZTZQWTSVFNKESZ-UHFFFAOYSA-N 439.497 2.402 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 1152967487 IVFVYIFXZGHJFO-UHFFFAOYSA-N 430.357 2.027 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)c1 1154093049 UXVDJHNTBDOZEW-HNNXBMFYSA-N 428.510 2.375 30 10 IEEE Cc1cc(C)c(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)c1Br 1159491299 WTSUKOXWWCTVQI-UHFFFAOYSA-N 431.290 2.134 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H]1C1CC1 1164061507 OCWPIOTZDLIKNE-JCEOMHIDSA-N 431.533 2.431 30 10 IEEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1164312234 BDIILQIIAQCDMV-LZQZEXGQSA-N 430.936 2.180 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C)c1cc[nH]n1 1164479977 NJTPIPKDYWAODC-BZSNNMDCSA-N 441.532 2.203 30 10 IEEE CC(C)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(Cl)cc1 1168080936 USKHONTZEKEGHD-OALUTQOASA-N 435.933 2.253 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1 1196002586 HIAXDVIQUDTOGU-KRWDZBQOSA-N 435.546 2.280 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1251296584 VHHVBYDWSDXGSB-UHFFFAOYSA-N 433.559 2.183 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1286290581 TVLBAPNRAPKHAK-CABCVRRESA-N 440.529 2.019 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1286500262 PZHVACPNAFQVCU-UHFFFAOYSA-N 437.573 2.380 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286613124 QXEXFWFVAYXTIX-QHCPKHFHSA-N 441.532 2.317 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1286748044 RXKVJIWBARUHCU-SFHVURJKSA-N 442.495 2.403 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1286774482 QWMOEHOZTOWBDL-QGZVFWFLSA-N 428.924 2.421 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1286801703 GEIYXSXQHJVOEA-CEXWTWQISA-N 429.477 2.175 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC(C)C)C1 1286808965 FPCGOLGUNKLPTA-PXNSSMCTSA-N 441.532 2.487 30 10 IEEE Cc1noc(C)c1[C@H](C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1290911135 PGKKSEOQGLYODS-QRFQSNJMSA-N 444.536 2.456 30 10 IEEE C[C@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291308311 LNXXTDOETFBFKX-INIZCTEOSA-N 439.564 2.122 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)s1 1293154493 UIQORCSSYSUODU-OAHLLOKOSA-N 437.591 2.334 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)cc1OC 1297019451 LUVXHGRAQSXAHF-INIZCTEOSA-N 431.493 2.455 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1298087962 QSCPMNOVRSGVQQ-UHFFFAOYSA-N 442.564 2.230 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)c1ccccc1 1300321951 OPKXLPQIMGTBSV-KRWDZBQOSA-N 426.546 2.072 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300468521 BYTJMNIQARSMOP-QUCCMNQESA-N 445.564 2.282 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1300496267 PBIRUUIJKOKRTK-AEFFLSMTSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NC1CCCCC1 1300541007 IQRNSXDEAGMDKW-UHFFFAOYSA-N 429.528 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](CC(C)C)N(C)C)CC1 1300719605 IMUSEAKGFGTXOD-IBGZPJMESA-N 425.581 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 1300725745 JHEGDOHJTZXHIM-ROUUACIJSA-N 431.606 2.280 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300777008 QBNVBZKTPGFJIN-DOTOQJQBSA-N 429.521 2.077 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300983422 IMAFNMKHVRRPHQ-AEFFLSMTSA-N 448.593 2.038 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1301248908 LPWGBZFCXZNQFU-UHFFFAOYSA-N 425.537 2.309 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1301391909 ZOSVGEPSCUAHSG-LAUBAEHRSA-N 434.562 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCCOCC1 1301592881 FXPQYJDLCZPWBS-UHFFFAOYSA-N 440.953 2.338 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCS(=O)(=O)C1 1301809176 MMJNHROKSCJSDF-KRWDZBQOSA-N 437.591 2.122 30 10 IEEE CC(C)C(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1301952026 FJZQMZOLWGMDOX-OAHLLOKOSA-N 445.955 2.230 30 10 IEEE CC(C)CCN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1303057816 OJCJHPWNFZSRNI-BSBNDGSWSA-N 428.537 2.323 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CC1 1305534687 SEEWCZKDHCIWRG-DFYVNMARSA-N 427.578 2.296 30 10 IEEE C=CCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1307537755 JFSGDKAWRLIHDC-AABGKKOBSA-N 438.590 2.158 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1314553167 PJRUJAXGZYDMRN-BRWVUGGUSA-N 440.614 2.264 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C#N)CC1 1316355893 ITTSQJAPIOVNIO-UHFFFAOYSA-N 439.545 2.173 30 10 IEEE C[C@H]1Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2NC1=O 1338477543 PXCXBLURBQFSIR-CZUORRHYSA-N 433.420 2.057 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(CC)cc2)CC1 1359028905 ISGXDBQYVWJIMG-UHFFFAOYSA-N 443.555 2.486 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cnn(C)c2)CC1 1359039388 GRHMYLDEQDZAOZ-NHCUHLMSSA-N 439.608 2.318 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359053904 DCLIITHJNRGYQS-UHFFFAOYSA-N 439.589 2.433 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359216125 PMFAOWIQFUNDJX-XHSDSOJGSA-N 447.552 2.305 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NCC 1359239903 AACLIXOZFIWLII-UHFFFAOYSA-N 426.569 2.237 30 10 IEEE Cc1ccc([C@@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2C(C)(C)C)N2CCOCC2)o1 1361140416 AJKUNAQVVOPTLD-QZTJIDSGSA-N 428.537 2.279 30 10 IEEE CCc1ccc(C(=O)N(C)CCc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1438638916 WCNCDRFXSKNDKT-UHFFFAOYSA-N 441.553 2.456 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)cc1 1452145495 DESZWJZYBOAMDM-IXDOHACOSA-N 449.573 2.457 30 10 IEEE COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1OC 1454249878 XORLKGYHXBTIIG-UHFFFAOYSA-N 426.429 2.437 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(CN4CCNC4=O)cc3)ccc2c1=O 1454777578 SRIOTXGCVZEYIN-UHFFFAOYSA-N 449.536 2.326 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1 1456990722 HIPBCAIBWVDAOU-ZDUSSCGKSA-N 436.697 2.407 30 10 IEEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1457933317 IIDWJVKJGBMQTQ-UHFFFAOYSA-N 443.323 2.327 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 1460030980 XQMPSLFAUJZJNZ-UHFFFAOYSA-N 443.197 2.118 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 1461384602 CGPZTXMMMZJZHI-SFHVURJKSA-N 429.473 2.311 30 10 IEEE COc1nsc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Br 1467706437 HBVNQSHJVWXJQA-LBPRGKRZSA-N 435.303 2.317 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cnc(Br)cn3)CC2=O)cc1Cl 1467986996 OWYFXKUDQDGRPH-NSHDSACASA-N 434.681 2.433 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2cc(Cl)nnc2C1 1469413111 JZRZBTPSRCCZHW-UHFFFAOYSA-N 447.948 2.314 30 10 IEEE CC(C)(C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(C#N)cc1 1469871273 RFPXEUJQRSNILX-UHFFFAOYSA-N 426.542 2.015 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1470522189 HPMIPEBKZCRRNR-UHFFFAOYSA-N 437.541 2.034 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC(Nc4cccc(C#N)c4)C3)=NO2)C1 1470624338 SLNGAUFPEVUZHD-JOCHJYFZSA-N 425.489 2.337 30 10 IEEE Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CCO2)n1 1492759528 GOZHXCWRWPQVDQ-DENIHFKCSA-N 448.575 2.486 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)C[C@@H]1C 1503891646 SRAMILQWJVBHGC-INIZCTEOSA-N 446.515 2.435 30 10 IEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1507625977 MDVXPNJMKQUJIM-GHTZIAJQSA-N 438.594 2.136 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633317 FVJNMLWFXPKIRM-OALUTQOASA-N 437.654 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccsc1 1507656757 JTCHPEWAGLMRTP-NRFANRHFSA-N 439.566 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507659058 ULHKZDSXKWSZBD-GOSISDBHSA-N 444.580 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCc2ccccc21 1507673339 RCZNLQLBTBYJFK-FQEVSTJZSA-N 430.556 2.315 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1nccs1 1507713039 WRZTVPPEXQWSCB-UHFFFAOYSA-N 435.513 2.379 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCCO 1508517520 XOVGWNYVHSYZNG-UHFFFAOYSA-N 430.528 2.312 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2cnnn2-c2ccccc2Br)n1 1520239436 OFQORFZMUGINFN-UHFFFAOYSA-N 443.305 2.148 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1539063778 UXKOGBMJDOKFMM-SFTDATJTSA-N 438.624 2.477 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539211775 OPEYVRKHRYFJKP-RTBURBONSA-N 426.542 2.225 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1539219949 OQSGUWOBQMFFTE-PABYOWBDSA-N 448.633 2.435 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539219974 GIBPDBACQLYZBD-DLBZAZTESA-N 449.602 2.214 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1539220825 MDNOMKSEGGOHFJ-MSOLQXFVSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCOCC1 1539320691 YQBARPLQZFTYKS-UHFFFAOYSA-N 435.528 2.249 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCS(=O)(=O)CC1 1539350705 WESJDVFZWRBUCI-UHFFFAOYSA-N 432.546 2.247 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOC2CCCCCC2)CC1 1539480693 DIVYHKTUBALXJV-FQEVSTJZSA-N 443.592 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC=CCO2)CC1 1539482372 LVJXBZYVPAISOP-JOCHJYFZSA-N 433.556 2.488 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1539742884 NLGOCDOYUYPCAW-UHFFFAOYSA-N 445.465 2.294 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)CC 1540139494 GYLCICHJYWSXIQ-UHFFFAOYSA-N 428.512 2.211 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1B1OC(C)(C)C(C)(C)O1 1540744393 XBBBPZODOWJDKQ-UHFFFAOYSA-N 435.333 2.483 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1540876340 OGOYFOMYMRQXRA-IRXDYDNUSA-N 448.568 2.125 30 10 IEEE CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1541083964 UQBJQUDWTWWPOZ-UHFFFAOYSA-N 435.532 2.081 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C#N)o1 1546577658 RHMQCPYOENFFAC-KRWDZBQOSA-N 436.472 2.190 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1554239596 FNOYHBKYSXWKQK-SFHVURJKSA-N 429.546 2.114 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c(F)cccc1F 1555752522 AEGOWLXRRADQGI-DOXZYTNZSA-N 433.459 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1nnnn1CC1CC1 1556295653 DYEJRNWBXBJELV-LJQANCHMSA-N 437.504 2.105 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)c1 1558053128 XSFKYQXWIJHKLC-UHFFFAOYSA-N 431.495 2.477 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1558632555 GOALJEARDFQTRP-GAJHUEQPSA-N 446.523 2.402 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1 1565345075 DBYTUCCBUCKPOT-HXUWFJFHSA-N 446.617 2.098 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCCc3c(C#N)cccc32)C1 1585495418 MOYYZCKCQQQBIL-OPAMFIHVSA-N 445.541 2.119 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1587300557 XLMBFQAZLJZRAN-AVRDEDQJSA-N 443.500 2.108 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOCC(F)F 1587615276 TWTORRKZBSFNNL-AWEZNQCLSA-N 440.520 2.368 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1588550839 ZFRSMXFZPWSIGZ-RTBURBONSA-N 446.548 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CCOCC1 1588619673 AZXLUQLBFXTIJN-UHFFFAOYSA-N 448.571 2.250 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1589088810 JPGYVPKYVRIYLO-SPEDKVCISA-N 427.574 2.403 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1595555870 JXEKDHFAYAKYBH-KRWDZBQOSA-N 444.511 2.025 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 1596382474 LUCPCJHWPWDKKE-JTHBVZDNSA-N 440.565 2.096 30 10 IEEE CCN1C(=O)c2ccc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)cc2S1(=O)=O 1596664054 YUEYYMSTZLFMHM-UHFFFAOYSA-N 439.493 2.158 30 10 IEEE N#C[C@]12CN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)C[C@H]1CS(=O)(=O)C2 1598567943 QIXKWLLWIVCFHP-ORAYPTAESA-N 430.511 2.402 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1606957939 JZJCTVZAKDBZBP-NPPFBWRTSA-N 430.553 2.333 30 10 IEEE COC(=O)[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1620616183 SOYKGHRHVQSKRL-QGZVFWFLSA-N 442.516 2.229 30 10 IEEE CCCOc1ccccc1Oc1ncccc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1626053836 HDBVVDHPNWONNE-UHFFFAOYSA-N 435.440 2.113 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@H]([C@@H]2CCCO2)C1 1626557022 JKRVNUXOAATUQN-NEWSRXKRSA-N 430.505 2.030 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OCC(=O)OCC)cc2)c1 1634587736 IHYZDJZVSVKMSI-UHFFFAOYSA-N 443.521 2.398 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1OC 1639963091 SYYKMKGOGQTGEC-IBGZPJMESA-N 445.541 2.403 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 1640225833 GNDVWQWEJNBMBM-GFCCVEGCSA-N 449.426 2.186 30 10 IEEE CN(C)CCCN(C)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1640238854 DZCJIFPONUGTGT-NRFANRHFSA-N 443.592 2.392 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4ccsc4C#N)CC3)C2=O)cc1 1640439462 LFDLMWIDVJXTFH-QGZVFWFLSA-N 448.508 2.045 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)CC1 1655389593 NHSXOFSSUZBGSX-AABGKKOBSA-N 433.597 2.153 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OCC 1670887276 UVGHZPCIDZUELY-JTQLQIEISA-N 449.856 2.333 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccnc(-c4ccccn4)n3)C2=O)cc1 1686084558 PDQXOXCUKJUEGH-HXUWFJFHSA-N 427.468 2.405 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1689848017 MZUXMKPBNMLQQX-MRXNPFEDSA-N 430.516 2.305 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCC 1690019295 FKJWRKNUWKVRQY-MBSDFSHPSA-N 445.564 2.210 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2conc2COC)CC1 1690125270 DSDXSEQAYDECTH-UHFFFAOYSA-N 442.470 2.085 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1690171275 YUDTXSWXLYVHOD-QZTJIDSGSA-N 429.521 2.313 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690247062 ZJGTZJAWVXPORG-HKUYNNGSSA-N 437.610 2.435 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1690300899 MVDSRUCBYNHASW-CQSZACIVSA-N 425.580 2.105 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(OC)CC1 1690665793 PULRTUPTNBCURG-QHCPKHFHSA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nnc1C(C)(C)C 1690677976 GRDNYNOYZPISKC-UHFFFAOYSA-N 427.509 2.113 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)(C)C)C1 1690687805 JKVOFYUAYLLEJA-MBSDFSHPSA-N 449.596 2.262 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1690982593 HOZOSCJHNUAOHM-FQEVSTJZSA-N 426.521 2.260 30 10 IEEE CC(F)(F)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1692795564 CYKJBMWXWHNECH-UHFFFAOYSA-N 444.490 2.039 30 10 IEEE CCOc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)ccc1OC 1696104657 AUECFAFFISWIOW-NVXWUHKLSA-N 447.561 2.232 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)cc1OC(F)F 1697451557 ZJIJYPJJKFPVAV-OCCSQVGLSA-N 434.447 2.483 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC4(CC3)COC(=O)N4)n2CCSCCCO)c1 1698485428 YXBAAIYMTSGFDB-UHFFFAOYSA-N 442.545 2.011 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCSC2)c1 1705504154 OMNHJGJCRGVHKR-KRWDZBQOSA-N 440.573 2.226 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705658251 JSVQGWZQCMKZHY-QGZVFWFLSA-N 427.578 2.222 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(C)=O)CC1 1705817785 SJTURVUJROOXKP-UHFFFAOYSA-N 438.580 2.477 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(cccc2OC)C1 1705895193 XGACQPSJPGWFRY-UHFFFAOYSA-N 440.548 2.070 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)C)CC1 1705895564 LGMUHBBHYGUJOF-UHFFFAOYSA-N 434.491 2.379 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705904795 YXIARDPSBRIDBJ-UHFFFAOYSA-N 425.512 2.116 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1705906763 OABXRCGPAYVOGO-QFIPXVFZSA-N 438.557 2.364 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1705919060 WOCFWGDGLRMWPS-SFHVURJKSA-N 431.562 2.479 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cc(C)oc2C)C1 1705929761 XBTHKOCUADKWHK-MBSDFSHPSA-N 443.548 2.299 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705936998 FCVAQVLITFBOAA-WMLDXEAASA-N 439.607 2.238 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1706941296 QHROJGOBMDMWOP-MGPUTAFESA-N 427.440 2.210 30 10 IEEE C[C@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1708088831 CBQNAXDEEBGPOO-SFHVURJKSA-N 442.589 2.029 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)c2ccccc2)CCOC1 1710482206 BRPLLQAEBPIGLO-XLIONFOSSA-N 433.459 2.451 30 10 IEEE CCOCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710803117 OUXLWYOQTCUVOO-IBGZPJMESA-N 425.537 2.192 30 10 IEEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1710891702 BYCRLOYPPUZEIT-HXUWFJFHSA-N 430.578 2.247 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1)OC 1712151081 DZBKJQPCIUOAHC-FXAWDEMLSA-N 441.532 2.252 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC[C@@H]2CCOC2)CCO1 1712886044 GTSFLYNHHXLUTM-ROUUACIJSA-N 445.495 2.168 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1722293653 DNLKEKFGMFNLJG-CRAIPNDOSA-N 430.530 2.216 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N[C@H](C)c1ccccc1 1722342537 QWIQSRQRXXLCPS-SJORKVTESA-N 432.594 2.087 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1722370238 MGRDQODSYMGNLT-SFHVURJKSA-N 432.521 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1CCN(CC(F)(F)F)CC1 1722388329 ZWKFHXDLCGZZKJ-UHFFFAOYSA-N 438.498 2.154 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722419276 VTLBRYUUSNDEPT-WMZHIEFXSA-N 430.597 2.111 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(C)(C)O)CC1 1722449013 KUBRVBHROLQTGQ-UHFFFAOYSA-N 427.524 2.135 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C1 1722813743 FMSUFCTVDCMHHJ-LJQANCHMSA-N 437.548 2.084 30 10 IEEE CC(=O)NCCCn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722859289 ULFBPNZTNZLOOW-OIISXLGYSA-N 433.557 2.171 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1723771183 DSTDUYMMCFBISJ-KRWDZBQOSA-N 442.593 2.238 30 10 IEEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCO1 1726476834 DJUUVOAIJMHUTG-SUMDDJOVSA-N 429.546 2.255 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1727135575 CFKQLHOCSOUZGD-UXHICEINSA-N 443.573 2.374 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1 1729344546 AMNNVBLSESUKHU-UHFFFAOYSA-N 441.561 2.448 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCN1CCC(O)CC1 1729408322 BRFQROQKTLAQTN-UHFFFAOYSA-N 434.548 2.033 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730438476 XTXBOSQKLYZONV-HNNXBMFYSA-N 426.521 2.380 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1740626420 XKWGHLGGTMJKBC-IBGZPJMESA-N 428.558 2.391 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)CC=C)CC1 1740697595 LBOBPJQXUBOXGN-UHFFFAOYSA-N 439.541 2.047 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1741137443 IPHDEOYZEGEJOU-QZTJIDSGSA-N 442.589 2.336 30 10 IEEE CCC[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1745247227 LBDGLGCULFLDJV-MODMUFLJSA-N 440.552 2.291 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)cc1 1748962164 BITOPGNPHQCIIJ-NRFANRHFSA-N 439.560 2.143 30 10 IEEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749749044 FIGHOIAKWRIQKK-LJQANCHMSA-N 438.557 2.364 30 10 IEEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1750386364 FNMHENHXFPODNG-INIZCTEOSA-N 433.509 2.171 30 10 IEEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1750387725 ZMCGBFMYAWZJHP-DLBZAZTESA-N 442.486 2.318 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760144687 YLOOVFALXXUXIR-OAHLLOKOSA-N 435.454 2.412 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1csc([C@@H](C)OC)n1 1760193484 GNQIFAYODFNOQC-OAHLLOKOSA-N 435.513 2.210 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1760260453 SWGRJRNWLBUOPN-IBGZPJMESA-N 431.544 2.378 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760294392 VOCMBCXUOLFQRC-OPAMFIHVSA-N 428.537 2.088 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760455449 PXCAJUZAOPKRPB-URXFXBBRSA-N 441.576 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCCOC1 1760556429 DHDXOMHKPPTTCK-KRWDZBQOSA-N 436.553 2.472 30 10 IEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)(C)C 1768083954 HHVANOIERMDAKB-RBUKOAKNSA-N 437.548 2.434 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCOC(F)F)CC2)nc1 1770738729 PHZKFLODYFSJCH-MRXNPFEDSA-N 433.463 2.005 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCCCCO)cc1 1770741163 YWZMNJPDXADWMB-SFTDATJTSA-N 441.532 2.276 30 10 IEEE CCOc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(CCC#N)CC4)c3CO2)cc1Cl 1848518470 JNTVREKNAFYIFM-LJQANCHMSA-N 444.923 2.273 30 10 IEEE C=CCN1C[C@H](C(=O)NC[C@H](OC)c2ccccc2I)CC1=O 1850739613 QIRSHMGMAWYDNQ-DOMZBBRYSA-N 428.270 2.129 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)c2ccc(N3CCS(=O)(=O)CC3)cc2)c1C#N 1851416401 BMMSIDMIHXNSLQ-UHFFFAOYSA-N 441.435 2.113 30 10 IEEE CN1CCC[C@@H](OC(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)C1 1851975980 HEJBUJYXDAPTBF-TZIWHRDSSA-N 427.526 2.085 30 10 IEEE CN1C(=O)CC[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)[C@@H]1c1ccccc1 1852086766 ZKZOFLGINXSUER-CJNGLKHVSA-N 431.436 2.467 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)N[C@@H]2CCc3nncn3C2)N2Cc3ccccc3C2=O)cc1 1852618779 ASRMDXZXXWWSMX-TZIWHRDSSA-N 426.480 2.368 30 10 IEEE C=CCOC(=O)Cn1ncc(N2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1=O 1852851492 QPMBCFDUMUQPSQ-UHFFFAOYSA-N 446.891 2.085 30 10 IEEE N#Cc1cc2c(cc1CC(=O)OCCCNC(=O)c1cn3cc(Cl)ccc3n1)OCO2 1853300794 ABYXDHCAWYNUQJ-UHFFFAOYSA-N 440.843 2.494 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@H]1C 1854725420 BUINYDDFZIGAAU-QAPCUYQASA-N 439.965 2.129 30 10 IEEE Cc1cnc(C(F)(F)F)c(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1 1854779806 VQRLNWOTZPJDNB-ZDUSSCGKSA-N 441.387 2.442 30 10 IEEE Cc1cccc(Oc2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)[C@@H]3C)cc2)c1 1856283157 RFHKAAAZGPLXFB-INIZCTEOSA-N 427.482 2.449 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862563921 NUSKESBZQKVYIE-HXUWFJFHSA-N 439.468 2.088 30 10 IEEE COc1ccc(-n2nc(N3CCN(C(C)=O)CC3)nc2NC(=O)c2cccc(C#N)c2)cc1 1869944502 WERPANJFCXLLFH-UHFFFAOYSA-N 445.483 2.068 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871591103 QLAOFDCVRIBKEO-UHFFFAOYSA-N 437.592 2.388 30 10 IEEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873563183 LKSHPUHHOUSVKX-UHFFFAOYSA-N 448.571 2.394 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)c(OC)c1 1874500827 BYJSSCOMOVSRFY-UFWORHAWSA-N 434.503 2.208 30 10 IEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCN(CC)CC)ncnc21 1875229063 NDWYJCBORNWHOR-UHFFFAOYSA-N 441.580 2.065 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)CC1 1890229874 CYSHFRKZPYHAQM-UHFFFAOYSA-N 426.542 2.417 30 10 IEEE CCOC(=O)N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1890584511 ZTEFZFMUYNXFKR-PMACEKPBSA-N 444.557 2.252 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128729961 HCHYBGDGGZMFIR-ZWKOTPCHSA-N 446.353 2.142 30 10 IEEE Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C)cc1C#CCCO 2203784147 XALVEAUCUFMQAM-UHFFFAOYSA-N 426.494 2.075 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@H](O)C#Cc2ccccc2Br)C1 2227484859 SRMDYZICWXEIFT-HZPDHXFCSA-N 444.347 2.196 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629944 CSQIGYJQYNEAMW-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2255886082 BLIMZWXGNSLINO-MRXNPFEDSA-N 433.314 2.052 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256677957 JEGJXSPSVSPWIL-SQHYZVFZSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2259933916 UWDKJMHLMURSEI-YEJXKQKISA-N 449.382 2.429 30 10 IEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1C(=O)OC(C)(C)C 2267176114 VPEZESGBIGPLMV-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267177160 KEVHOZIZLAVYCP-CQSZACIVSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267487989 FUUYIZANZDUBMU-PKOBYXMFSA-N 438.381 2.217 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)n1 2267491041 XCNZYPFPRKXTOY-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267497046 IJKVUMUYCRKMNP-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267515385 NNAASEGGSSMVBM-HOTGVXAUSA-N 448.373 2.237 30 10 IEEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267518101 CWMJZFWQXCAPHF-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]1C2 2267530868 HIDRUBASFXBHOO-SOUVJXGZSA-N 446.357 2.227 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267550822 FDRHSZDRTDDLSC-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267597078 SWTNFTUVBSKTFG-SJLPKXTDSA-N 446.353 2.255 30 10 IEEE CC1(C)OB(c2ccc(CN3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(F)c2)OC1(C)C 2320126444 WDCHLJREEABXPD-LSDHHAIUSA-N 428.235 2.472 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(C(=O)O)cc1 2331273318 HJMILKRMJPNDBU-UHFFFAOYSA-N 443.485 2.049 30 10 IEEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 26910317 DRFRHQRPTBJSAT-MRXNPFEDSA-N 443.573 2.066 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1sccc1C#N 101936424 SFJOEGKGTHYKJR-CZUORRHYSA-N 435.527 2.493 30 10 IEEE CC(C)Cn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 254451244 SAJFQDYVBRNKBJ-UHFFFAOYSA-N 433.310 2.298 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 303413995 VPOWVGVJOIQDPV-UHFFFAOYSA-N 439.604 2.426 30 10 IEEE C#CCn1ncc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(Br)c1=O 390840061 CMRWUYISFQSLLW-QGZVFWFLSA-N 431.334 2.342 30 10 IEEE CCO[C@@H]1C[C@](NS(=O)(=O)c2ccc(C#N)c(Br)c2)(C(=O)OC)C1(C)C 433349936 ZZWKUNMINOAAPA-PBHICJAKSA-N 445.335 2.346 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)C1=O 437032154 BYNQTUJAZDZLNH-UHFFFAOYSA-N 443.504 2.370 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)CC1 437913974 HMACUXFROYOZMS-UHFFFAOYSA-N 439.516 2.121 30 10 IEEE N#CC1(CS(=O)(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)CCCC1 473946608 GYYISJLJOUXSQK-UHFFFAOYSA-N 432.506 2.397 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCSC 478834432 FBWDHRXOIKZPGO-UHFFFAOYSA-N 445.610 2.493 30 10 IEEE CN(C)c1ncccc1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 501332434 WNZPGGXFWFFWRZ-UHFFFAOYSA-N 436.495 2.358 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 503615905 TYEZYWYPRNPJBZ-OAHLLOKOSA-N 437.327 2.430 30 10 IEEE COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(OC)c1OC 504885617 ORDPOGJXLXYRNE-INIZCTEOSA-N 438.440 2.428 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cccc1Br 509935150 RNLHZPUQUXPMRE-SNVBAGLBSA-N 428.757 2.466 30 10 IEEE COc1ccc(C(=O)CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1OC 544866176 VJGMBXJNMFDWBJ-UHFFFAOYSA-N 438.484 2.291 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Cc3csc(NC(=O)c4cccc(O)c4)n3)CC2)n1 545489225 SQMJUJYKMFXBIY-UHFFFAOYSA-N 448.508 2.259 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)CCOc4ccccc4)C3)CC2)n1 546168437 KZOLUNOEHQWUQW-FQEVSTJZSA-N 447.539 2.310 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 558965479 VYORPOLXUWOJBF-SFHVURJKSA-N 425.537 2.418 30 10 IEEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1C#N 564596485 HVSSVSUAMFCFRF-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE C[C@@H]1CN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)C[C@@H](C)O1 585673931 ZMBMHWWDEXGUJZ-IXZAXCLOSA-N 448.479 2.271 30 10 IEEE COc1ccc(C)cc1C1(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CCOCC1 585778993 LFZHJNGCCYFCNI-UHFFFAOYSA-N 439.487 2.495 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)nc1C 586350934 QIYKSFDDBRWUFJ-GDLZYMKVSA-N 439.490 2.259 30 10 IEEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c(F)c1 729832685 GMXHGXQQVZQQHZ-UHFFFAOYSA-N 436.896 2.463 30 10 IEEE Cc1c(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3cncn3)c2)c(=O)n(-c2ccccc2)n1C 734706287 CBKBCOSWGLPDPD-IBGZPJMESA-N 441.451 2.026 30 10 IEEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)c1ccc(C#N)cc1 740218372 RWHLYPUVFJWDON-GOSISDBHSA-N 432.454 2.315 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1ccc(C#N)cc1 740244938 GCSCMXWMENGJLW-XLIONFOSSA-N 436.420 2.140 30 10 IEEE N#Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 741971345 IFYCHWDUUWMAGQ-UHFFFAOYSA-N 449.916 2.041 30 10 IEEE COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)c1C 748064446 RYQKXUPHAKDAFZ-UHFFFAOYSA-N 425.554 2.182 30 10 IEEE C#CCN(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 750992738 AGPVZWQRCBZHDI-INIZCTEOSA-N 436.331 2.206 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC2(CO)Cc3ccccc3C2)cc1 751543167 NAMDDFXSVNKTDR-QQTULTPQSA-N 442.541 2.151 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCc3nn(CC)c(=O)cc3C2)ccc1OC 752966122 PJBNFYWTJOCLRE-KRWDZBQOSA-N 425.489 2.221 30 10 IEEE COC(=O)C1=C(C(=O)c2ccncc2)[C@H](c2cnc(-c3ccncc3)s2)NC(=S)N1 753386606 CXLFOACKAKLCRY-HNNXBMFYSA-N 437.506 2.429 30 10 IEEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc4nc(C)sc4c3)c2=O)cn1 755047799 JOBGUVJZUHZRQB-UHFFFAOYSA-N 431.502 2.247 30 10 IEEE O=C(NCC#CC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)O)OCC1c2ccccc2-c2ccccc21 757470946 MLUZNYIFUCTKEW-XFEVJDRUSA-N 430.460 2.460 30 10 IEEE C=CCn1c(Cc2noc(-c3cc(Cl)nc(N(C)C)c3)n2)nnc1N1CCOCC1 761775914 IQUVYWKDWJGANT-UHFFFAOYSA-N 430.900 2.056 30 10 IEEE CCc1nc2ccccc2n1C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 772480936 HPLZYPZGKAOUHU-DQRAZIAOSA-N 436.516 2.472 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCS(=O)(=O)C1 774221448 ZNKGBEMQSGUSNV-RDJZCZTQSA-N 429.464 2.116 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(Br)cc3)c2=O)cn1 783956345 BYJZXVXEUSMXBK-UHFFFAOYSA-N 440.326 2.295 30 10 IEEE CCCN(CCC)S(=O)(=O)N1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 792716342 OMRACVFCOJCQGN-UHFFFAOYSA-N 445.593 2.067 30 10 IEEE COc1cc(CNC(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1C#N 811938041 OAFLBVOEIAYBOA-IBGZPJMESA-N 443.548 2.403 30 10 IEEE C#C[C@@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 812938232 KTSFZZAKXWGXCX-MRXNPFEDSA-N 434.449 2.223 30 10 IEEE CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916325530 SBXYPFFUMONVOI-UHFFFAOYSA-N 431.415 2.068 30 10 IEEE CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916875681 HKMCCAWPKYUZIR-IRXDYDNUSA-N 438.550 2.098 30 10 IEEE Cc1nc(NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)sc1SCC#N 1125107582 ARHJBPBUOFWGRS-NSHDSACASA-N 425.536 2.083 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1125334514 GEWATLWDPZJTCA-UHFFFAOYSA-N 426.542 2.292 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1127248543 RWDHTUBVHARIBY-WXVPWVKJSA-N 430.505 2.442 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)N(C(=O)OCc2ccccc2)C1 1136107291 HIXKAMOPJPKVSW-NHCUHLMSSA-N 449.511 2.028 30 10 IEEE CC(C)CS(=O)(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1137865035 AJPUTWXUCUJHSY-UHFFFAOYSA-N 442.379 2.430 30 10 IEEE CN1CCC[C@@](O)(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 1144758687 LBBDPPWWNPEAGQ-AZUAARDMSA-N 435.366 2.005 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(Br)ccc1-n1cnnn1 1146222386 YTHIXYMLJHTOIG-QGZVFWFLSA-N 427.262 2.102 30 10 IEEE COc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1C#N 1152347706 FWWGKHITVKJFAU-QGZVFWFLSA-N 449.916 2.392 30 10 IEEE C#CCN1CCN(C(=O)CN2CCN([C@H](CC)c3ccc(Br)cc3)CC2)CC1 1190913822 PKBFVRNRKGXSHQ-OAQYLSRUSA-N 447.421 2.295 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCS(=O)(=O)C[C@H]2C)cc1 1198034215 TWHVAOOSLXYCRK-OAHLLOKOSA-N 444.557 2.422 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1198555021 VXDMNAVABNOWBJ-AUSIDOKSSA-N 433.597 2.154 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCSC4(CCC4)C3)CC2)cc1 1256062820 IWADZXFPEPLSDY-KRWDZBQOSA-N 434.587 2.392 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1286316876 MMNFSKKWXBKBIP-IBGZPJMESA-N 444.605 2.327 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CCN1CCOCC1(C)C 1286380526 GLSWAAVFZITYBH-UHFFFAOYSA-N 427.549 2.436 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286506498 WANTVXZFXFCOTN-CQSZACIVSA-N 440.541 2.137 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286778514 BPJQABSYWFWUFU-UXHICEINSA-N 436.560 2.323 30 10 IEEE CC1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1289032340 LBADFDDIFYWCIK-HTXNQAPBSA-N 439.545 2.198 30 10 IEEE CC1(C)CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CCO1 1289044261 OUQWWOYXEGRZEY-UHFFFAOYSA-N 426.502 2.398 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)cs1 1290423715 OTSORCKXUITWKX-OAQYLSRUSA-N 443.577 2.013 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1291641291 MVYLUGVPCVWLTH-LJQANCHMSA-N 446.548 2.295 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1294339335 YLWDDEMENXTCJB-FQEVSTJZSA-N 447.547 2.241 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@]2(C#N)CCCOC2)C1 1295136655 NGHSQHYQSWHNPD-YZZKKUAISA-N 448.564 2.061 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 1300019489 YBESWENXYSQLGB-QFIPXVFZSA-N 446.555 2.119 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1300303217 HHNCDEVCRWXUMW-NYHFZMIOSA-N 437.573 2.489 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(OC)CCOC1 1300642485 PNASXNJWPQWFBR-QFIPXVFZSA-N 429.496 2.001 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(C)(C)C)nc1 1300649682 OSOYEXXJBKAAJW-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1300780455 QKQGKGSSTZDDKR-WAOWUJCRSA-N 436.626 2.001 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301514160 FVYKAADZCXBBSP-KXBFYZLASA-N 429.496 2.302 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1301854062 STGWNRCKVAFXPT-QGZVFWFLSA-N 432.475 2.451 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1302141142 QCPIMIGLOVGIBM-IBGZPJMESA-N 426.521 2.381 30 10 IEEE Cc1cccc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1304444383 HXFFKODMQWPDIH-OXQOHEQNSA-N 434.541 2.190 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccnc1OCC(F)F 1304832227 XLHGNYGORDVEIW-UHFFFAOYSA-N 427.415 2.209 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 1307412747 GWVGEIAJZMGNTO-IRLDBZIGSA-N 443.931 2.483 30 10 IEEE CN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)Cc1cc(C#N)cs1 1308112358 DVAWZNBNJLWKEZ-IUXPMGMMSA-N 441.538 2.299 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1C[C@H]1C 1316205492 PRRJQPDCOQQUFS-ZHALLVOQSA-N 425.537 2.251 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1316212328 WRZRSMJIECQCDN-UAFMIMERSA-N 434.585 2.099 30 10 IEEE Cc1nc(SCC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(C#N)c(C)c1C 1338210420 ADDGGQZCDIFTIO-QFIPXVFZSA-N 437.525 2.342 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1352569805 YDTYLXAWVOJIEI-QGZVFWFLSA-N 433.555 2.135 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1359008928 DKXQEWSKYSZWII-KRWDZBQOSA-N 432.569 2.330 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNC(C)=O)CC1 1359030458 WLKBPKHXMJMEKU-HXUWFJFHSA-N 438.576 2.316 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CC=CCC2)CC1 1359040881 IRNQBZWCLGCSGK-MOPGFXCFSA-N 429.565 2.324 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C[C@H]1CCOC1)C1CC1 1359048267 KGAUMSKJMVRUBB-MRXNPFEDSA-N 426.546 2.297 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1359082212 BZMDZGCVSVOGFA-ZFWWWQNUSA-N 426.359 2.432 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359162432 QHUBVQARMDCZDC-KRWDZBQOSA-N 440.504 2.107 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1359283450 RJEVCLQBDDGVSB-NWDGAFQWSA-N 431.971 2.367 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359288182 HRROETCQTSUFKC-UHFFFAOYSA-N 437.592 2.221 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@@H]1C 1359929674 LUJWYIULMKKSNV-ZHRRBRCNSA-N 444.536 2.312 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)C#Cc4cccs4)CC3)cccc2c1 1441301605 XICUHVNQHWJOTJ-UHFFFAOYSA-N 425.535 2.489 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1456432220 JXQYWPRWNQVTLF-ZDUSSCGKSA-N 438.406 2.078 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1460821138 UEDVSCMNXORWRP-AWEZNQCLSA-N 441.347 2.098 30 10 IEEE Cn1ncc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1I 1461651067 IHDUCQCXTOAUMO-UHFFFAOYSA-N 436.253 2.332 30 10 IEEE N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCS(=O)(=O)N3)s2)c(C(F)(F)F)c1 1464288898 AYPIXLXOHNQSMW-ZDUSSCGKSA-N 430.433 2.255 30 10 IEEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466047748 NTMQFBCAJTWPJB-CCECRFFPSA-N 449.548 2.342 30 10 IEEE C=C[C@H](CO)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 1470411193 XOWAASKOBSXBOH-MRXNPFEDSA-N 425.514 2.483 30 10 IEEE C=CCCONC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1470615725 DSULLDSAEXKBGR-UHFFFAOYSA-N 430.299 2.373 30 10 IEEE C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 1470706127 YUIJGVXHIKKQQF-FQEVSTJZSA-N 430.302 2.160 30 10 IEEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1471519108 IJQMQVAVAPWJGK-CQSZACIVSA-N 426.477 2.025 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1472241172 SEYQHCBAMNGULZ-QUCCMNQESA-N 433.516 2.466 30 10 IEEE COC(=O)[C@@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@@H](C(=O)OC)C1 1475127966 GXSKFBHEWCHXND-UKRRQHHQSA-N 436.511 2.197 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1Br 1475650839 CAPFJFOJKWPBKA-UHFFFAOYSA-N 440.298 2.197 30 10 IEEE C[C@H]1CCCN(CCCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1493794241 UUMAYTFXXVXMOD-PGRDOPGGSA-N 431.560 2.355 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCOC1 1503645937 LZOALMJAPVQQRM-IBGZPJMESA-N 449.353 2.328 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1 1505135298 RLNPBWULSHGSFE-UHFFFAOYSA-N 442.545 2.008 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1507547047 MITARVZEHBJWQL-RCCFBDPRSA-N 439.626 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1507676157 KZMAIQPYCBAYBX-VAMGGRTRSA-N 446.617 2.484 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1507732465 VUVVKIFRXIGJPJ-MRXNPFEDSA-N 447.486 2.196 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1507759184 CJDSGCGNIQTBDD-IPBJYNAHSA-N 439.585 2.433 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1507978173 GXHCSQJAGAQIIZ-UHFFFAOYSA-N 435.532 2.217 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1508057489 CLOFYUVRFSSDKF-DZGCQCFKSA-N 429.912 2.319 30 10 IEEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1508061251 MFUMVDRTZBWGRM-GOSISDBHSA-N 435.525 2.356 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508156459 YLJRWZWSHVOBMP-AWEZNQCLSA-N 448.549 2.202 30 10 IEEE CC(=O)N1CCC(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1508207508 NPVSHALUMHKCFA-VGOFRKELSA-N 432.569 2.173 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCc1ccco1 1508516346 CJGGQKHXESFORK-UHFFFAOYSA-N 448.531 2.078 30 10 IEEE CC(C)(C)[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1508545461 AFCSKFBKXWQKGQ-SKQREZPOSA-N 428.537 2.008 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cc1 1510988298 MKNYZARAFUNHHB-LJQANCHMSA-N 441.513 2.302 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@H](C)O1 1514177591 DDEQVOGSVYQRIC-HKUYNNGSSA-N 441.532 2.274 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1515392629 DCGSIVNIYPHHKY-GOSISDBHSA-N 440.529 2.483 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c(-c3cccn3C)nnc2N(C)C[C@@H](C)C#N)ncn1 1517612707 CDVCSASBRQSFQE-IRXDYDNUSA-N 434.552 2.380 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 1525872509 YIDRHSTUYKUOQR-VVBPWWLESA-N 426.521 2.032 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OCC 1535345257 UDLFQBXNOUQVEN-QVKFZJNVSA-N 433.892 2.176 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCOCC1 1538993147 FQKUEQZRYHVWCK-SFHVURJKSA-N 425.533 2.287 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1539097638 UDEIFUZBMRIUFN-UHFFFAOYSA-N 435.532 2.436 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1539368712 BEMZORQBEFYXJS-RTWAWAEBSA-N 441.601 2.304 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(C(C)(C)C)no2)CC1 1539431034 QQMADEADRNUGRR-KRWDZBQOSA-N 430.553 2.091 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1539640934 KQNNZQKKXIBDJB-LEDOBFOHSA-N 447.580 2.003 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1539645236 LYHKIXOSFHETPY-UHFFFAOYSA-N 428.928 2.441 30 10 IEEE C=CCN(c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1540104317 YORGZKKAGINPGB-UHFFFAOYSA-N 445.574 2.238 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1540870203 HBAXGLBYUMHVSL-ROUUACIJSA-N 444.605 2.419 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)Cn3cc(Br)c(O)nc3=O)cc2)nc1 1542421474 HGSWVOXQEFXMDV-UHFFFAOYSA-N 442.229 2.409 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547499675 IXUOAMSXIUMRIQ-CVEARBPZSA-N 425.537 2.047 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C 1547718998 FJQXAYSPNXNBOW-QGZVFWFLSA-N 439.564 2.031 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1 1548311069 JXDONPMGBVAMBP-UHFFFAOYSA-N 431.493 2.392 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1555268597 AJLSGYPXKMZMPP-OXQOHEQNSA-N 425.472 2.035 30 10 IEEE CCC1(N2CCOCC2)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1560045931 WUWVHKYORYKLLQ-FQEVSTJZSA-N 445.633 2.034 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 1562065382 UUXZYSRHQZFAPK-UHFFFAOYSA-N 430.530 2.337 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1565449760 YTZHPMMVRGPVDS-LVIWNVNYSA-N 445.541 2.155 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)C2)C1 1567253115 SQCGXDURDPIOCH-DPRHGOCUSA-N 443.544 2.374 30 10 IEEE N#C[C@]1(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CCc2ccccc2C1 1567743719 KSIJKHZEONJAMA-QFIPXVFZSA-N 425.510 2.358 30 10 IEEE CN1CCN(c2ncccc2CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1583870403 PLSNTBTXXRIPHG-SFHVURJKSA-N 430.553 2.037 30 10 IEEE CCN(C(=O)c1cccc(C#N)n1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1584717442 HRPQEGBODJWOQB-MRXNPFEDSA-N 429.521 2.273 30 10 IEEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)cc2)[nH]1 1585230855 FVWGMFLTRAAUGR-UHFFFAOYSA-N 445.479 2.168 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1587690071 YKSJPDFVBNMITM-IBGZPJMESA-N 441.557 2.179 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCCN1CCC(O)CC1 1588161991 FGOOEDAVADODNK-UHFFFAOYSA-N 435.572 2.394 30 10 IEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1593625411 VERLFHQOFOESRD-GOSISDBHSA-N 438.532 2.166 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593844636 DDIFCGPFRUIUBK-CYBMUJFWSA-N 436.303 2.219 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1594013037 BEGQSOMNFMSXBI-QRWLVFNGSA-N 437.566 2.162 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1594669100 OAOGPLKOMLMDIO-UHFFFAOYSA-N 435.594 2.418 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1595165253 DIAXGFFAEVANSF-AZUAARDMSA-N 438.580 2.101 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1595538108 ZVRASSWWOJQVBP-MRXNPFEDSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595570161 ZAWPHJNBCMVTDL-UYAOXDASSA-N 438.576 2.047 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1603678503 IDIITFVOTVKNNL-UHFFFAOYSA-N 442.589 2.252 30 10 IEEE CCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2c(CC(C)(C)C)noc2n1 1611164828 JFTMAGQTAWEVFR-ZSEKCTLFSA-N 430.530 2.384 30 10 IEEE Cc1nnc(N2CCC(COc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612567694 GOPRCJUMCMDWLF-DQRAZIAOSA-N 436.516 2.408 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H]3CSC[C@H]3O)C[C@H]1C)C2=O 1615242845 FPYUQGZUQAFNTJ-YINRHZGMSA-N 439.917 2.230 30 10 IEEE COCC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1619551104 DURGTHYMDMTCKJ-UHFFFAOYSA-N 448.527 2.261 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccsc2)c1 1620150335 JSVQBZOIBQAFSQ-QGZVFWFLSA-N 443.554 2.382 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(CC#N)cc1 1627487331 FQLYJRCTWZPYQM-IBGZPJMESA-N 447.944 2.256 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1628632513 NDJRUAJGYHLPAI-JNCYCUAHSA-N 425.529 2.426 30 10 IEEE COC(=O)C[C@H]1CSCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1629894031 AJELQOQPCORQBN-HNNXBMFYSA-N 438.347 2.264 30 10 IEEE C=CCNC(=O)CNC(=O)c1cc(I)ccc1N1CCCCC1 1631619255 LISUKGFTEOMDNO-UHFFFAOYSA-N 427.286 2.314 30 10 IEEE C[C@H](CN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1nn[nH]n1 1633482303 AHMRDFPDYKPHSY-DYVFJYSZSA-N 425.493 2.168 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)OC2=O 1635193259 DVTZIKVYJXEKPB-MSOLQXFVSA-N 443.500 2.041 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1636626478 CEDWNRKZFWUCJS-AEFFLSMTSA-N 446.525 2.150 30 10 IEEE CC(C)(C)Oc1ccc(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1C#N 1637212416 CSFJAHHSIGDFQK-OAQYLSRUSA-N 428.489 2.290 30 10 IEEE O=C1C=COC2(CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 1639651211 JCKNMKQFNBZLAU-UHFFFAOYSA-N 445.541 2.150 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1647780170 DQFAGDWNBZAVQJ-FCHUYYIVSA-N 435.547 2.456 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1C 1647997338 AUWPVMUCBOKQKS-OAQYLSRUSA-N 427.526 2.444 30 10 IEEE CCOC(=O)[C@@H](CC=C(C)C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1650654419 ZYXVKSGAASZADU-ZWKOTPCHSA-N 426.473 2.167 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)C[C@H](O)c3cccc(C#N)c3)CC2)C1 1654982315 ZQTFMZBORMMZFG-AVRDEDQJSA-N 426.561 2.021 30 10 IEEE C#CCCOC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1661602403 NLRHLSLTOJYJEM-UHFFFAOYSA-N 429.336 2.000 30 10 IEEE CCO/C=C\[C@](O)(CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1681515774 LEEAWGBCXPWIQC-UTYNWJDWSA-N 440.422 2.196 30 10 IEEE CC(C)n1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(O)nc1=O 1684856252 PUAPKWDLORLDLT-UHFFFAOYSA-N 430.896 2.087 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1689884328 RHSKCHXFEKOVEA-SFHVURJKSA-N 430.578 2.091 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1689888369 HMIRQMFONVWGNX-OAQYLSRUSA-N 442.608 2.110 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1690048197 FSEXJMXIQGPGDE-FDDCHVKYSA-N 445.564 2.210 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](OC)C(F)(F)F 1690101323 WWGLMNVTRHZQFR-OAHLLOKOSA-N 443.426 2.059 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(Cl)ccc2OC)CC1 1690112306 URICAFVAAYZVDI-KRWDZBQOSA-N 447.967 2.468 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690237758 AHVMGVLDLWZBOL-PGRDOPGGSA-N 443.523 2.434 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1 1690244252 VLYOTSLRAGFUOQ-XLIONFOSSA-N 425.537 2.069 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1690714533 OBCMWJBTRDBJCF-MJGOQNOKSA-N 445.589 2.400 30 10 IEEE C=CCSCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1690752671 NSHSAYFBHNHIJU-OXJNMPFZSA-N 439.582 2.126 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@@]2(CCCOC2)O1 1693782933 GHSZLFIVIWVWLQ-UZUQRXQVSA-N 438.532 2.069 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)s2)CC1 1695930313 HYFGTFDPZRRBCT-UHFFFAOYSA-N 449.584 2.493 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)c1 1697522584 CJZNXVGZRQVLMQ-FQEVSTJZSA-N 438.532 2.475 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN2CCCC2)c1 1705505485 ONOSBNCIOKVYFN-UHFFFAOYSA-N 429.528 2.492 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1705570825 RTTAHGGBXGLSTG-ROUUACIJSA-N 434.606 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N1CCOCC1 1705576070 FBLMGZQSSFXKPL-KRWDZBQOSA-N 437.569 2.063 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(C)C 1705580816 QZCQVYNNJBHTBP-UHFFFAOYSA-N 428.562 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705896653 SXXYTDUCMAOUIH-HSZRJFAPSA-N 441.532 2.030 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1705905179 MVFCCVJVQDTADV-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705906908 SKOCMBLTZDACQZ-IRXDYDNUSA-N 429.521 2.172 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1706074981 HSHOHHFCRCSERV-CRAIPNDOSA-N 444.561 2.008 30 10 IEEE COc1ccccc1SCc1nnc(N2CCNC(=O)CC2)n1Cc1ccc(C#N)o1 1712021172 PPFDLRYAHXRKSP-UHFFFAOYSA-N 438.513 2.418 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1712166919 BNLUHWMKRGPAOX-SIKLNZKXSA-N 428.512 2.102 30 10 IEEE COC[C@@H](F)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1712181569 BZXZJILVVKDNJB-CJXDPKRBSA-N 440.495 2.475 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722275610 AKXLANIHPBBJRO-ZHRRBRCNSA-N 433.553 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1722296852 VTYSTTWADPAIRX-SCTDSRPQSA-N 427.574 2.089 30 10 IEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722327724 HXLXRDJGOGOTAY-INIZCTEOSA-N 432.322 2.072 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1722466134 JPVFAKJCBFHMBY-OAQYLSRUSA-N 438.923 2.030 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722507712 IYEOORLOHWPXQK-ZRSRNVLSSA-N 440.610 2.411 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722534221 JAAGFNABTNBGLK-SFHVURJKSA-N 425.537 2.070 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nncn2CC)C1 1722713697 CJGGJEJAIFPKGA-KRWDZBQOSA-N 439.520 2.403 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1723628876 CJYOPNGAZKRLOL-UHFFFAOYSA-N 444.543 2.453 30 10 IEEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1723866519 MOIZRMBHWOTKJL-OXQOHEQNSA-N 427.528 2.417 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740531169 GSQJECXVMMLGFJ-MRXNPFEDSA-N 430.553 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O 1740549253 DQLVVDGDAUUJKB-QMHKHESXSA-N 444.580 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)cc1 1740649134 ONYBWWQRIJBFKG-INIZCTEOSA-N 433.965 2.247 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)NCCC)CC1 1740699564 LPDDVXXRGDSPRF-UHFFFAOYSA-N 438.576 2.145 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740715711 MKPJNVSTJYCNFE-KKSFZXQISA-N 443.577 2.148 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740739770 ZUTGXTKGUDNQGM-DAYGRLMNSA-N 445.358 2.295 30 10 IEEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740787201 CNUQEUXVTOTPLY-VQTJNVASSA-N 427.549 2.364 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1740921107 LBDPYHOMLFFHPY-SFHVURJKSA-N 435.525 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1740953814 RSMGGQAICJEKBF-LJQANCHMSA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1740954146 CWWUBAGRAVXZIP-AWEZNQCLSA-N 448.321 2.009 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1740982908 YIVJYNFOFOCHKQ-GOSISDBHSA-N 433.578 2.148 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1743248096 KXUVOHMZLXFIHF-ITZAQCPESA-N 442.907 2.350 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccccc1)N(C)C 1744096227 AZNOYEPAXPPOFV-VQTJNVASSA-N 439.564 2.228 30 10 IEEE CCCNC(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745777213 CWHYTJLIGDHLMO-SJORKVTESA-N 439.568 2.085 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(OC)CCOC2)c1 1748692214 SXNCTZPCSKBMQX-DEOSSOPVSA-N 446.511 2.202 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1748807772 CKCLMEMVCFTPBV-KRWDZBQOSA-N 445.570 2.481 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1748994608 KXTBOENQNBFUHV-QHCPKHFHSA-N 436.604 2.167 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749020331 POXRCPAFFWXOKC-UHFFFAOYSA-N 446.621 2.012 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1749354338 NXWDMIFOLUGBKI-HLLBOEOZSA-N 425.599 2.494 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1749721717 RZQSODVMPLGXHW-MSOLQXFVSA-N 435.594 2.274 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1750503733 HFTOZAWVOSXUHZ-SFHVURJKSA-N 441.536 2.298 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1751272228 IBIPBNSNUWHQBD-MRUHUIDDSA-N 431.468 2.091 30 10 IEEE Cc1ccc(S(=O)(=O)NCCn2c(CC3CC3)nnc2N2CCC(C#N)CC2)s1 1751581533 GJWOGGJZOAAJNP-UHFFFAOYSA-N 434.591 2.319 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1760144107 DDQQWYOKRYCMDJ-SFHVURJKSA-N 444.605 2.401 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1760155217 UBPOAJSYZWWVGW-IBGZPJMESA-N 425.489 2.483 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)C(C)(C)C 1760166308 YOZDPSXKOOPBSR-UHFFFAOYSA-N 428.356 2.318 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1760334673 KSSYMALMGZYANL-WBVHZDCISA-N 439.486 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1760545323 RVSBMKAFIMWWMA-GUDVDZBRSA-N 427.553 2.016 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)C1 1761542704 LGFZJCGQKPGSOX-HXUWFJFHSA-N 439.911 2.277 30 10 IEEE Cc1cc(C)n(-c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)[C@H](C)CC#N)cn2)n1 1762402724 HMLJLWGVVNNPQF-QGZVFWFLSA-N 447.547 2.385 30 10 IEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](OCCOC)C2)no1 1762749891 WPOFYRUJRVHAGO-GOSISDBHSA-N 437.504 2.247 30 10 IEEE CC1CCN([C@H](C)Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1762949399 LGGYCPNUTRBOIG-VIZSFHNOSA-N 446.596 2.168 30 10 IEEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1763186942 KFINMKUMOLUGOQ-MODMUFLJSA-N 428.537 2.152 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1763297865 XLDMNGYZWMIDLM-MOPGFXCFSA-N 449.559 2.226 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)C1 1763305499 WPNZOJFOAZFTIX-IBGZPJMESA-N 449.515 2.494 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1765414669 BWFHPLYJPDCOQN-SFHVURJKSA-N 447.547 2.126 30 10 IEEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCN(C)C2)cc1OC 1765967694 CATXFLYAKKGSIG-AOMKIAJQSA-N 428.537 2.015 30 10 IEEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCCCC1 1766903792 GWUAXYCGIBCNKV-GOSISDBHSA-N 434.610 2.185 30 10 IEEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CCC(=O)N2CCOCC2)c1 1768780845 AHVFRNRWMHBSCF-UHFFFAOYSA-N 438.532 2.333 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1771237692 PQOOXHSSWWZFEL-FQEVSTJZSA-N 445.483 2.014 30 10 IEEE CN1C(=O)CC[C@H]1CO[C@@H](COc1ccccc1C#N)CS(=O)(=O)c1ccccc1 1851326558 LGPQIBDJHMGVDF-OALUTQOASA-N 428.510 2.417 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2c(F)cccc2Cl)C(=O)C1 1853952824 JAVASECMTCHOBF-UHFFFAOYSA-N 449.891 2.343 30 10 IEEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)c(C)c1 1855723031 HKLJWAIHTNQQTO-KRWDZBQOSA-N 425.510 2.166 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c(O)c1 1862751858 RLNPOAXPKOPAHN-GOSISDBHSA-N 427.413 2.146 30 10 IEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(CC)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870004587 FEQAABAQZRNMGH-GOSISDBHSA-N 429.546 2.053 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871646105 UOORHKDVLLCOOY-UHFFFAOYSA-N 426.525 2.218 30 10 IEEE Cc1nc(C2=C(N)N(c3ccc(C(=O)OC(C)C)cc3)CC2=O)sc1C(=O)N(C)C 1873920216 DDNFIXQLBHFXRZ-UHFFFAOYSA-N 428.514 2.435 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc([N+](=O)[O-])cc1 1874294931 AXUJMEGLPMYDTO-KEBDBYFISA-N 441.429 2.145 30 10 IEEE COC(=O)[C@@H](CC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 2060638684 ZSDYTUSSPYMBSG-OAHLLOKOSA-N 438.330 2.233 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232271807 VOMPRMWQRMPQOU-QGZVFWFLSA-N 447.385 2.497 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254800559 NULILKRDFPWSCA-KRWDZBQOSA-N 432.374 2.344 30 10 IEEE C[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2255697111 DJQOLCVERXCBSI-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE CC[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255814795 DNWIVKQIFGXPRL-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)cs2)OC1(C)C 2255849444 APWVGSDRKJXCAV-QHCPKHFHSA-N 442.390 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256028505 SMEQZVTXLMWYNP-GDBMZVCRSA-N 433.358 2.032 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267093796 YCSKYSZNHWXKSB-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267134533 QUOJACRTCAMAND-IBGZPJMESA-N 439.365 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267174193 SCKVESNHFBJUGU-GOEBONIOSA-N 446.357 2.199 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267182973 KMCMNYJLISKHOJ-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267193888 LSLSBFJCQMRBTC-UWWQBHOKSA-N 443.353 2.366 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517051 MTUDWYPEHAQFSW-LSDHHAIUSA-N 448.373 2.332 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267519017 HGZGQMHTKQJOTB-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)n1 2267525641 HRMPFXBIFCQFEL-GOEBONIOSA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267597079 SWTNFTUVBSKTFG-WMZOPIPTSA-N 446.353 2.255 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267871611 CGGMFYUKBNHOPK-AWEZNQCLSA-N 446.357 2.294 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)n1C 2315593039 DVBZDYIEQCYZNJ-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE COc1[nH]c(=N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503275 LFVALWUVQYTIMX-CQSZACIVSA-N 435.330 2.164 30 10 IEEE COc1cc(/C=N/Nc2nnc(SCC(=O)c3ccccc3)n2N)cc([N+](=O)[O-])c1O 21326791 VPQWFNBAOXDUDL-AWQFTUOYSA-N 443.445 2.035 30 10 IEEE CCCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 33812586 VDSIGQWHSYITOH-SFQUDFHCSA-N 445.614 2.411 30 10 IEEE O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H](c2ccncc2)/C1=C(/O)c1ccc(Cl)cc1 102709595 ULXRTPPRKWAGNZ-JNVCUCAMSA-N 432.885 2.344 30 10 IEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)c1 102749571 JVJIUFKPEUHREJ-LCPUNJGISA-N 440.500 2.094 30 10 IEEE CS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CCNC(=O)C[C@H]1c1ccccc1 257182481 GORKUXCEZZUWTL-QFIPXVFZSA-N 440.569 2.273 30 10 IEEE C[C@@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)n1cnc(C#N)n1 409775078 QAKRIJNVZHQHNG-HXPMCKFVSA-N 445.451 2.298 30 10 IEEE C[C@]12CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C[C@@H]1C2(F)F 428733727 QUQRFHZYYWEVIO-JXFKEZNVSA-N 431.443 2.432 30 10 IEEE CN(C)CCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 446588000 XFDBGMHOQQABIL-UHFFFAOYSA-N 441.557 2.201 30 10 IEEE COc1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)ccc1C#N 464699894 OVAORTQLIUDSMU-UHFFFAOYSA-N 437.568 2.296 30 10 IEEE N#Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1 474290054 HCZIMXUCBIQGCD-UHFFFAOYSA-N 433.390 2.248 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 481046936 ARWNMXFQMCHLJK-CQSZACIVSA-N 442.476 2.473 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@H](c4cccc(O)c4)C3)C2=O)cc1 484931473 BXRCPOXYYWZQAU-PMACEKPBSA-N 434.452 2.069 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)N[C@@H](C)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506892004 GCAONVZXWYRESO-GHTZIAJQSA-N 449.559 2.184 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(=O)(=O)CC)CC1 508940450 YFUUOMXMSNKZGU-UHFFFAOYSA-N 440.367 2.365 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1 516697695 JBKCZSPEXQJHHY-UHFFFAOYSA-N 427.574 2.028 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc(OC)c1OC 522110369 NWNZQOFGKRJOJH-UHFFFAOYSA-N 440.521 2.143 30 10 IEEE COC[C@@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 539315732 ZRBWUEZGOOHGOD-LJQANCHMSA-N 435.484 2.432 30 10 IEEE CCS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 576651264 HUHKAGYSRXUYEC-UHFFFAOYSA-N 436.541 2.337 30 10 IEEE COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)ccc1C#N 577992602 VPMXVVORGNIDIV-HZPDHXFCSA-N 443.525 2.295 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NC2CCC(Oc3nccnc3C#N)CC2)c(C)c1 585356182 YGOSGCUWKJTTEH-UHFFFAOYSA-N 429.502 2.284 30 10 IEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 619741021 MDLAJIBBSKAIOC-UHFFFAOYSA-N 436.476 2.473 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(Cc3cccc(C)c3)C2)cc1 682136824 PNZUVKWEJSAFMR-UHFFFAOYSA-N 441.553 2.441 30 10 IEEE COC(=O)CN1CCN(c2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc2)CC1 729878145 GMUQBPSKTLKNQP-UHFFFAOYSA-N 425.464 2.314 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccccc2)C1=O 730144020 GUMKNXBMUSHOEO-FXFSXJFASA-N 439.585 2.192 30 10 IEEE C#CCCNC(=O)C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 733673206 RRJWPCBCGFECAT-GOSISDBHSA-N 443.500 2.321 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 752617142 VSOPQRURFLYZFM-CZUORRHYSA-N 435.527 2.225 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 758640835 AMZUTNNKRFEOIO-AAEUAGOBSA-N 443.909 2.149 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(c3nnc4ccccn34)CC2)C1 758750495 FXANFYBTZDCFLV-SJORKVTESA-N 439.520 2.377 30 10 IEEE C#CCN(C(=O)Nc1cc(OC)c(OC)cc1Br)[C@@H]1CCS(=O)(=O)C1 774031813 XHYHWXLIRWSHGM-LLVKDONJSA-N 431.308 2.121 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 779350244 ABLKVLKBTHLDLG-HNAMICAMSA-N 438.315 2.398 30 10 IEEE C=CCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 779756569 SLMWAHFDGHMITO-OAHLLOKOSA-N 442.501 2.043 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 780977887 KJXPWLUZDCJFJE-IBGZPJMESA-N 425.551 2.499 30 10 IEEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 782816798 XEIVRYNRKVLDIH-CQSZACIVSA-N 430.452 2.131 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccccc2)N(CCCn2ccnn2)C1=O)NCC(F)(F)F 782858184 QTCRCDZJWOZZLP-CQSZACIVSA-N 440.451 2.369 30 10 IEEE COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2c(Br)cnn2C)NC(=S)N1 783806862 QYDWEXATCPNJAU-GFCCVEGCSA-N 435.303 2.011 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)n1 790104493 PAQLNUUGAIVOIF-CVDCTZTESA-N 436.556 2.491 30 10 IEEE Cc1nsc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1C#N 798240130 BVDMZFJMAUNIGO-UHFFFAOYSA-N 426.907 2.250 30 10 IEEE Cn1cc([C@H](O)C[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2C#N)cn1 805051042 FXQVAWGOBHJCND-CZUORRHYSA-N 439.335 2.331 30 10 IEEE C#C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccc(F)cc1 812748865 UUAVSPYTLDYGPP-GOSISDBHSA-N 442.516 2.386 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)CCNC(=O)OCc3ccccc3)CC2)c1 813978195 PSYAGFYVARFQOB-UHFFFAOYSA-N 445.472 2.101 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NC1C2CC3CC(C2)CC1C3 1083856807 YPSLMEKCPANHJC-UHFFFAOYSA-N 441.561 2.177 30 10 IEEE Cn1cc(C=NNc2nc(SCC(=O)NCc3cccc(C(F)(F)F)c3)n[nH]2)cn1 1083898361 SVFVRGNOYREXMR-UHFFFAOYSA-N 438.439 2.412 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(OC)c1OC 1136685853 LFBRJZMIQXIKNF-HUUCEWRRSA-N 435.477 2.231 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)n(C)c2)C1 1146220720 JOETWWBVWQGCFW-IIBYNOLFSA-N 444.557 2.123 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1(CO)CCOCC1 1151738914 OASDEPMXHXKBQB-IBGZPJMESA-N 429.517 2.298 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@](O)(c4ccccc4)C3)C2=O)cc1 1166873549 AVDFEYWFPXCKTA-GBXCKJPGSA-N 432.480 2.273 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)ccc1F 1169787511 JWCODSUWCGKJCN-ZDUSSCGKSA-N 429.514 2.275 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1218681036 GFECVVGMPYYMNK-QGZVFWFLSA-N 447.513 2.400 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)[C@H]1CCCO1 1234626370 KIHBIPRFZONTCN-VQTJNVASSA-N 433.574 2.117 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1-c1ccccc1 1286301349 BZVMJVRAEKMQJX-MRXNPFEDSA-N 446.540 2.357 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1286376590 MCLRTXNLDSDHFX-MAUKXSAKSA-N 435.981 2.206 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(N(C)C)CCSC1 1286405111 ZIPUBBMHBQKNSK-HSZRJFAPSA-N 439.585 2.472 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCNC(=O)c1cccc(OC)c1 1286430018 IXCLQGNCEMHCTE-UHFFFAOYSA-N 442.523 2.165 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1286437831 NGMORTSMCKSESL-OAQYLSRUSA-N 448.614 2.285 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)cc(C)cc1C 1286465793 BDAOIDJXVBUYND-LJQANCHMSA-N 430.574 2.240 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1286801704 GEIYXSXQHJVOEA-GBESFXJTSA-N 429.477 2.175 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286832630 MHUFTSFHXDRKSF-QZTJIDSGSA-N 434.610 2.283 30 10 IEEE C=CCSCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286837401 WXKTUFYUQRGNKL-JOCHJYFZSA-N 449.621 2.298 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1295746622 BCBPDUPSDSYAQC-IBGZPJMESA-N 426.521 2.212 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1300419420 LHBCIXNHSQXDDZ-OALUTQOASA-N 428.581 2.335 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1300428984 WIHPEIPLFDPHPJ-UWJYYQICSA-N 441.507 2.408 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1300570106 GCOBWHFPZKMCRY-UHFFFAOYSA-N 438.532 2.040 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1300725867 LAOMGDSAUBXRHZ-RTWAWAEBSA-N 444.624 2.114 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1300823414 GWKGVYGOOOJCAT-MNOVXSKESA-N 440.264 2.481 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCCCC1 1300938800 SQWAZCUXHPXJLS-KRWDZBQOSA-N 439.965 2.463 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1300971833 BIMQKROFGBOBOF-QGZVFWFLSA-N 447.609 2.349 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1301004266 WKDOVIULLKVYSK-MJGOQNOKSA-N 434.562 2.339 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301182977 PAUPASJDNUGALW-KRWDZBQOSA-N 435.598 2.143 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301187150 QSTJHLLHPFBTJV-ROUUACIJSA-N 430.553 2.295 30 10 IEEE C=CCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1301234230 GGZWXWCWUJMKLV-SXWKCWPCSA-N 433.597 2.443 30 10 IEEE COC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301275567 HTDLJJLCQSRNPM-QBNCKDSPSA-N 430.553 2.256 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1301309571 FSPMWCHVGDUKHG-LVWUPQHWSA-N 428.537 2.345 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301508326 IBBHYJQMGLSFHJ-XMMPIXPASA-N 439.560 2.140 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1301587024 WTZPMGQXKVVZCY-UHFFFAOYSA-N 449.552 2.231 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1302446745 SAULGZBCYACFOJ-KRWDZBQOSA-N 435.532 2.328 30 10 IEEE COC(=O)C1(C#N)CCN(C[C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CC1 1308765525 IEUBVLXTYVJCHV-KRWDZBQOSA-N 433.553 2.191 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2OC(C)C)CCOC1 1314138803 FBBOOAZNZANAOB-CVDCTZTESA-N 441.532 2.494 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCCO1 1314728747 FAOVQLVZCIPCDZ-PMACEKPBSA-N 438.532 2.323 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cc1 1351252345 SYUCGEFDJHJKFE-UHFFFAOYSA-N 427.526 2.378 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)CC1 1358928313 ZRRQKOVXJLKQIK-UHFFFAOYSA-N 440.529 2.095 30 10 IEEE C#CCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936493 OVHIQDQGHLDIMZ-BBWFWOEESA-N 444.536 2.103 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1358948659 HUWDKKUKUITUSD-GOSISDBHSA-N 447.630 2.223 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1358962763 WMRDILQEFCBAPP-UXHICEINSA-N 433.622 2.437 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCCN2CCOCC2)CC1 1359030736 DKFCLHDTWVWEIH-UHFFFAOYSA-N 442.995 2.466 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCO[C@H]2CCOC2)CC1 1359039119 XMQKYIXSEBPWBU-QFIPXVFZSA-N 439.560 2.116 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C 1359089710 NKBASQWBIJDONR-PKOBYXMFSA-N 427.553 2.174 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)=C(C)C1 1359293829 BDWRPNJQUUPAQM-UHFFFAOYSA-N 429.546 2.197 30 10 IEEE CC1(C)CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1360824761 PYRBPDBLOITBGO-CWFNNOHCSA-N 446.577 2.378 30 10 IEEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NCC(C)(C)CC#N)c1 1436633496 DVRMAIFNUDSARH-UHFFFAOYSA-N 449.314 2.211 30 10 IEEE CN(CC(=O)N1Cc2cccc(C#N)c2C1)S(=O)(=O)c1ccc(Br)cc1 1437268595 DHWTYBBSTSJTMR-UHFFFAOYSA-N 434.315 2.484 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1437641425 RFZKVGGRTJROCP-HUUCEWRRSA-N 429.546 2.015 30 10 IEEE C#CCN(C(=O)CCS(=O)(=O)c1cccc(Br)c1)C1CCN(C)CC1 1439599093 AQCTXUHGOCLMFC-UHFFFAOYSA-N 427.364 2.169 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1462380189 PUMRCYJOKABGCB-RDTXWAMCSA-N 438.912 2.492 30 10 IEEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)c1cc[nH]n1 1464394739 BHQGQSWPHVPRTC-HXUWFJFHSA-N 441.532 2.283 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1467702106 GTWHXECLNNGPAF-AEFFLSMTSA-N 433.530 2.086 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(CC(F)(F)CO)CC2)n(-c2ccccc2)c1C 1473597890 OFLIIKVEDMXAFS-UHFFFAOYSA-N 431.487 2.150 30 10 IEEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478902057 PJJULNIELYUHPX-RXVVDRJESA-N 441.576 2.095 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@H](CO)Cc2ccc(OC)c(Br)c2)C1 1479311927 CPZKCWZJHOJHII-SJORKVTESA-N 438.366 2.006 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNC(=O)c1ccco1 1499152178 GDGBYNOHWTVENL-UHFFFAOYSA-N 437.479 2.201 30 10 IEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1500410480 ICOBRKDOFCMLRV-LJQANCHMSA-N 430.578 2.172 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1503845961 RWHGTWJVUKGMAR-SFHVURJKSA-N 448.483 2.116 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507559206 MPQNJNBCJFCRKR-OAQYLSRUSA-N 439.608 2.308 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1507613240 ZJTDIBIBDCXYRV-MOPGFXCFSA-N 446.596 2.183 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1507634169 LWJLGVSEMOPFOY-GOSISDBHSA-N 436.965 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)OC 1507672067 UCAVUVIPTADPKI-RTBURBONSA-N 445.564 2.474 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3noc4c3COCC4)n2CC(=C)C)n1 1507717051 PXRUESSWGRAOAY-UHFFFAOYSA-N 437.504 2.065 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCC)CC1 1507729517 HVTLIUKYMRSJRX-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCC(C)CC2)CC1 1507733015 WKSHTPHYLRXNRC-UHFFFAOYSA-N 440.567 2.483 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1507757344 YDTHMHUJGKWHBR-UHFFFAOYSA-N 437.573 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(CC)CCS(C)(=O)=O 1507802463 ATBJRCYVOBPIQY-ICSRJNTNSA-N 433.578 2.116 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1508070852 FAIMBABGZAPNOP-UHFFFAOYSA-N 438.454 2.374 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1508081314 WWKWZVIDSCACIG-UHFFFAOYSA-N 439.495 2.050 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N(CC)CC)CC1 1508136387 FMNSTTYMSDWYIU-UHFFFAOYSA-N 432.594 2.252 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1513016178 FQBYCSMZHUYVMM-AEFFLSMTSA-N 436.564 2.300 30 10 IEEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cs1 1513756404 KYMSWIDMHDBBQZ-IFXJQAMLSA-N 434.591 2.377 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)c1 1518037065 VSQLJBJNUUJGCM-CQSZACIVSA-N 436.472 2.142 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cn2ccc(C)cc2n1 1519277660 ODHHSHMZRQMEEV-HRAATJIYSA-N 427.484 2.449 30 10 IEEE COc1cc(N2C[C@H](C(=O)N(C)[C@@H](C#N)C3(SC)CC3)CC2=O)cc(OC)c1OC 1536467446 OOLQHYCWYFJIRG-DYVFJYSZSA-N 433.530 2.311 30 10 IEEE N#Cc1ccc(CC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)cc1 1537093774 WUSCWKARCMQYGM-GOSISDBHSA-N 445.260 2.405 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H](CC#N)C(F)(F)F)C1=O 1538122581 BURWRSRXUGQGFU-IAQYHMDHSA-N 447.211 2.177 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C#N)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 1538508830 KXRWMIRTNNZDKV-NRFANRHFSA-N 430.482 2.179 30 10 IEEE O=C(C[C@@H]1CCS(=O)(=O)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538726065 FVYCXGZWTHLEDS-XHNCKOQMSA-N 429.329 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1539002183 AQCPTUPAFIEQNI-AWEZNQCLSA-N 442.483 2.454 30 10 IEEE N#C[C@]12CN(C(=O)[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)C[C@H]1CS(=O)(=O)C2 1539119640 ZHAMYLMQENKGNU-YTQUADARSA-N 442.459 2.051 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539211801 PFEJTUUKOXZBSA-FUHIMQAGSA-N 444.557 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ncccc1F 1539299150 FQTFBYJENBTKIC-QHCPKHFHSA-N 441.507 2.395 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)O 1539408761 BXYNZBAJZRGEHF-UHFFFAOYSA-N 438.532 2.093 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1539454668 XLPIPHRSDBIZJV-UHFFFAOYSA-N 434.466 2.479 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2c[nH]nc2C)CC1 1539481658 MTZICRNRPZOFLZ-HXUWFJFHSA-N 439.564 2.150 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1539513368 NEDZZOJEOPVFSA-GDLZYMKVSA-N 428.587 2.419 30 10 IEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539985889 QYZPHHRVVGPRBL-UHFFFAOYSA-N 439.520 2.220 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1540006397 SDZAYNDKWGGCFB-IAGOWNOFSA-N 443.639 2.155 30 10 IEEE COc1ccccc1[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nccn1C 1540656636 FHJIOSGIMYJIAA-LJQANCHMSA-N 442.472 2.384 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C(=O)OC(C)(C)C)C1 1540894596 AZYBXUHILCREJO-KRWDZBQOSA-N 448.568 2.049 30 10 IEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCNC(=O)C(C)C 1541643657 BVMJVQSSMQFQHO-UHFFFAOYSA-N 437.548 2.229 30 10 IEEE C[C@H](CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)c1nccs1 1541831590 UTOKYQQRHGFHSF-ZIAGYGMSSA-N 446.558 2.390 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)CCOC1 1541877533 KUAFLDIQYYGSHD-VIZSFHNOSA-N 446.596 2.169 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 1557384494 PSUBMPDINPVFJL-NRFANRHFSA-N 439.493 2.435 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)C[C@@H](C)CC)nnc12 1558999901 VTBPTOHVIYRODC-GJZGRUSLSA-N 429.546 2.236 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)cc1 1561586220 ITPKXRQHPLBASV-UHFFFAOYSA-N 434.315 2.099 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)OC 1561929288 NXIMKCPKTSFGEB-LBPRGKRZSA-N 434.308 2.397 30 10 IEEE CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1565657325 NSXMPNICFACEBZ-IKGGRYGDSA-N 441.594 2.445 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1585804667 DXGBVACGEBYCLU-RTWAWAEBSA-N 428.577 2.226 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1587915143 DISFBZFWHBHNHC-IRXDYDNUSA-N 432.546 2.321 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1588293431 ZUHRPNGJXWLLRG-MRXNPFEDSA-N 432.546 2.247 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1588742558 SLALSGXQISCVKW-UHFFFAOYSA-N 436.604 2.414 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[C@H]2CCOC2)CC1 1588913547 MNFAIYMHZAHFFP-KRWDZBQOSA-N 425.508 2.477 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1594567146 NBPRMSSCLRDAGP-SFHVURJKSA-N 449.563 2.247 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1594627031 QUJUMYZKRCJPKO-MSOLQXFVSA-N 426.583 2.167 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1594819286 AQEVKRQNKULIIS-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1595219155 QUNOKIGGUMUSIX-KRWDZBQOSA-N 444.540 2.057 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CN(C)C)c2)C1 1595745666 VOJKACZVUIFNPH-OAQYLSRUSA-N 438.576 2.292 30 10 IEEE COC(=O)COc1ccc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc1 1611230794 HKNAHSNYQJBWHM-UHFFFAOYSA-N 434.246 2.035 30 10 IEEE CCC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1614406408 QSEBBUJUCWSWSP-RTBURBONSA-N 425.537 2.190 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)s1 1634552001 TUSHTTUBFLFKBE-UHFFFAOYSA-N 434.543 2.225 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CC2(C#N)CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1636591364 OVBZNEMISMKIGQ-CVEARBPZSA-N 425.551 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CC1 1637357786 SOXWUQHBGAKVJS-UHFFFAOYSA-N 447.513 2.001 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCCS(C)(=O)=O 1638496042 MHKXWNNTVIGPRY-SFHVURJKSA-N 435.546 2.334 30 10 IEEE N#Cc1ccc(C2(NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CCC2)cc1 1639189573 KBRWSBBWECEBBE-SFHVURJKSA-N 433.917 2.046 30 10 IEEE C#C[C@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)C1 1643853845 DGODZOVSEHZFJP-KRWDZBQOSA-N 430.574 2.408 30 10 IEEE CC(C)Cc1ccc(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1 1644133596 DRDKHSJIUCAEGY-UHFFFAOYSA-N 425.485 2.305 30 10 IEEE N#Cc1ccccc1NC1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 1647901681 ZBMXTIRBEXKNAG-UHFFFAOYSA-N 427.455 2.468 30 10 IEEE C=CC[C@@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1650698663 PRHVEDGBOATXNO-VFNWGFHPSA-N 426.510 2.143 30 10 IEEE COC(=O)[C@]1(O)CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1650951462 FGKZWPHYGXPCHP-QFIPXVFZSA-N 439.493 2.039 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 1657632095 LUVNNDUSKMXIMU-VCUAKTQDSA-N 429.561 2.104 30 10 IEEE Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1662364796 FVPNVYZLDOXAHZ-CQSZACIVSA-N 425.304 2.347 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1 1689892833 NXJYCEFURHXQNR-IBGZPJMESA-N 433.622 2.438 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1689993052 USGGZJFUMKOLFT-HXUWFJFHSA-N 430.574 2.442 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)CC1 1690115250 YOZXPTNOCKDLAC-UHFFFAOYSA-N 440.349 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)OC)CC1 1690148564 LCEZQFQBBDXQRZ-HNNXBMFYSA-N 431.487 2.148 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690308423 NKEKFWRVXYAJEP-UHFFFAOYSA-N 435.532 2.433 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690490439 ZQIQUSXVKCRQBD-UHFFFAOYSA-N 449.625 2.356 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1690545529 TVLTUJZHIPKCQP-OAHLLOKOSA-N 439.582 2.250 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COC)C1 1690700142 OEDZCOVQZOQRQA-PMACEKPBSA-N 446.573 2.156 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCO 1691229132 GPLASSBLHFTRJV-SJORKVTESA-N 434.541 2.241 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1696383683 CNTDZVRVYVHIMY-WMZHIEFXSA-N 441.532 2.397 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705656813 KEDGBWDRDWPOOS-UHFFFAOYSA-N 438.601 2.056 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C)C1 1705896780 XVXKDHIFLYKPSL-LLVKDONJSA-N 426.340 2.296 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1705907637 SMRBJSAHVLKJRP-AWEZNQCLSA-N 432.475 2.178 30 10 IEEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1706377654 BONGLNXNJBSWLS-IBGZPJMESA-N 430.578 2.266 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)[C@H]1C 1708283314 FIEYWXWLAGLAPY-HOTGVXAUSA-N 446.602 2.182 30 10 IEEE CCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1709690376 PWIABHYEFJZVFG-IDYLYPCZSA-N 438.488 2.163 30 10 IEEE COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)cn1 1711856386 FWDOEWJFHFBSBD-YQVWRLOYSA-N 426.521 2.377 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1712616522 ZDWNVRCTENPKSQ-UHFFFAOYSA-N 438.454 2.164 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722317257 ROTOMKPIFMYABE-RTBURBONSA-N 449.621 2.116 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364824 BBEUYQWWBOFXQS-OALUTQOASA-N 445.589 2.287 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371148 HGNBFZWSHDKJPZ-LEWJYISDSA-N 447.649 2.368 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(F)(F)C1(OC)CCOCC1 1722429432 QZZDLFHQNPPBKU-KRWDZBQOSA-N 442.507 2.437 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](F)COC 1722664421 ZGIQEQTYYFQUPN-LSDHHAIUSA-N 428.555 2.419 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@H]1C 1722678738 WVQQUXVWRJKGEU-VGSWGCGISA-N 438.536 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722728788 YEABLLRFWGLRCU-QGZVFWFLSA-N 432.546 2.423 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722739491 WDTPNOUZXAUUNI-ZWKOTPCHSA-N 439.651 2.164 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1723780232 PXEGOGYJWQFQTJ-ZGRYLRDCSA-N 438.598 2.347 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCSC1 1723928545 HNNVEFIUPUBTMN-HOCLYGCPSA-N 426.612 2.162 30 10 IEEE CC1(C)CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1724023218 BUJJNLDDZNTQRQ-QZQOTICOSA-N 435.532 2.417 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cccs1 1727187106 BPLFSPXMHDFIHR-UHFFFAOYSA-N 443.577 2.428 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1729169200 TWPSEXJXVOVXLF-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccncc2Cl)cc1 1731183369 PLOXNEHIXLVGPM-INIZCTEOSA-N 437.891 2.137 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1740566375 TZUWNTALSLBOOH-UHFFFAOYSA-N 443.573 2.115 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1740578513 BUZFXDSLNAYGGQ-GOSISDBHSA-N 428.581 2.305 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1740614685 AMNJJLPJFJZHPM-PXAQALGRSA-N 442.564 2.129 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1740625435 FMOOFCYHLXQMLS-ROUUACIJSA-N 432.546 2.057 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)S(=O)(=O)CC 1740648334 IXFXUNBMCYXRFK-UHFFFAOYSA-N 448.980 2.128 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCOC1 1740678345 KGSSKKCBGICZNH-GOSISDBHSA-N 445.951 2.374 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC(C)(C)C1 1740752644 YUVLVBLAOVWBFE-BBWFWOEESA-N 425.599 2.496 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1740843473 IVJZFRXRHQQZIZ-AWEZNQCLSA-N 434.566 2.154 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740875847 KZYWBCLLNBWXNH-LJQANCHMSA-N 438.580 2.381 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1740890668 FOBPBMFSKJDZNI-UHFFFAOYSA-N 426.502 2.022 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCOCCS(C)(=O)=O 1740894547 XUNBCZPXRJSIRU-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740958040 HKOYIIFRZFWHLP-UHFFFAOYSA-N 429.594 2.189 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C 1740964652 GAOBCRORQGFXLQ-UHFFFAOYSA-N 445.612 2.479 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741386142 ULWWYTDKFBETOK-BSBNDGSWSA-N 438.536 2.077 30 10 IEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C 1743177261 OYTRLRXGAAYTHM-DLBZAZTESA-N 446.577 2.150 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCC(=O)N(C)C 1748940251 GRZLAKLIKHGZEV-UHFFFAOYSA-N 440.523 2.161 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749189310 FVZLHEJMEKRHHA-CEWLAPEOSA-N 430.597 2.127 30 10 IEEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749401015 QVWWIKMBHZGCCT-LJQANCHMSA-N 439.626 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749729095 ATQNACGJQGPDIV-GOSISDBHSA-N 443.577 2.231 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CC1 1749921167 MNKSZDIGRMVYTD-OXQOHEQNSA-N 438.532 2.289 30 10 IEEE CC(C)(C)c1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750446679 DYYIQUGYBOEKHO-HNENSFHCSA-N 443.596 2.413 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1760099806 LZPJAELJCLDAFA-WZONZLPQSA-N 425.533 2.127 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760191415 GZHNIKXAPNUOGA-QFIPXVFZSA-N 449.580 2.328 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760192601 KOJZAXJZGMPARZ-CEXWTWQISA-N 438.594 2.208 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760249882 BILSMAYZQXAQBH-WOJBJXKFSA-N 440.592 2.238 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760275897 MNUJGQQYMNIHRA-SFHVURJKSA-N 439.541 2.399 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760281459 SMZGGEMIIZZKHQ-UHFFFAOYSA-N 430.622 2.047 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760303236 HNURMZDIFIZQSH-IBGZPJMESA-N 427.306 2.442 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1760336872 KQONWFUOOYUQEB-QGZVFWFLSA-N 439.607 2.432 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760528956 RSYBHIGGXQSWJS-VQTJNVASSA-N 430.597 2.380 30 10 IEEE CCCN1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1766071530 MYOKDRUHGLTPOV-JOCHJYFZSA-N 440.527 2.489 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1767223557 UGAYIQJNYMRUNZ-QBNCKDSPSA-N 430.553 2.398 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1767607374 IACSXNLPLFUNBV-QHCPKHFHSA-N 432.532 2.178 30 10 IEEE COC[C@H](F)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770792135 NLQFLFHFIMIDJI-NVXWUHKLSA-N 428.516 2.297 30 10 IEEE COC(=O)[C@H]1C[C@H](CCC(=O)ON2C(=O)c3ccccc3C2=O)CN1C(=O)OC(C)(C)C 1772789117 PRIYQCNYLNFMCJ-XJKSGUPXSA-N 446.456 2.320 30 10 IEEE N#Cc1ccccc1OCC(=O)N1C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc21 1852203685 NTGCKJJVFGHXSJ-KRWDZBQOSA-N 425.466 2.054 30 10 IEEE COC(=O)[C@@]1(NC(=O)c2cnc3c(C#N)c(C)nn3c2C)CCCN(Cc2ccccc2)C1 1852682049 QBTAMXUMQZSWCT-XMMPIXPASA-N 446.511 2.155 30 10 IEEE CCS(=O)(=O)c1cccc(CN(CCN2CCCCC2)C(=O)c2cnc(C#N)nc2)c1 1853496168 WICMSYHKFHTCHK-UHFFFAOYSA-N 441.557 2.270 30 10 IEEE C[C@@H](Cc1nc(-c2ccccc2)no1)N(C(=O)CC#N)[C@H]1CCc2nn(C)c(=O)cc2C1 1853505894 NHDKEKNKJUQHAP-YJBOKZPZSA-N 432.484 2.061 30 10 IEEE CN(CCCOc1ccccc1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1855771550 ZZBGWGDLKLACAS-UHFFFAOYSA-N 427.482 2.106 30 10 IEEE C[C@]12CCC(=O)N1CCCN2C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1855820089 UNIMHIBBUYVMTI-KSFYIVLOSA-N 428.920 2.439 30 10 IEEE Cc1ccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1C 1856602845 JUQYPDNNJYQIGN-LJQANCHMSA-N 433.530 2.149 30 10 IEEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 1866736575 RUORYVRNBSFZSD-VQTJNVASSA-N 435.480 2.329 30 10 IEEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551570 VTGQUMMJBQHEHN-UHFFFAOYSA-N 447.337 2.163 30 10 IEEE C=CCn1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc2c(NCCO)ncnc21 1875231400 LPPKZHCXKSJYTJ-RMKNXTFCSA-N 446.555 2.493 30 10 IEEE CCOc1ccc(O[C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890309032 YZRJCKKVXCTWCP-NRFANRHFSA-N 443.588 2.111 30 10 IEEE Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC#CCN2CCOCC2)cc1 1890368240 CXNIXUFUKSMXES-XMMPIXPASA-N 431.536 2.014 30 10 IEEE C[C@@H]1[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2060624944 DSWBDAFHLBEFHH-HIFRSBDPSA-N 432.330 2.360 30 10 IEEE CCOC(=O)c1sc([C@H](C#N)C(=O)CSc2nnnn2C)nc1-c1ccccc1 2084270738 FVBXFRICILARKF-GFCCVEGCSA-N 428.499 2.479 30 10 IEEE C=CCn1ncc(NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c(Br)c1=O 2106092753 GTXMQYBQSNGAOD-KRWDZBQOSA-N 429.315 2.288 30 10 IEEE C[S@](=O)CC1(C)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2129780701 AHYMOTMOLMVDOL-VWLOTQADSA-N 429.189 2.348 30 10 IEEE C#CCOc1ccc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)cc1 2179323531 KDUYFZFWDHDRHV-OAQYLSRUSA-N 430.457 2.465 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)C1 2247559861 QDKQQTUOIZHVRT-YZEMWESSSA-N 437.537 2.044 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247837575 UVQBXIONSUGQHA-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE Cn1ncc(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255542351 QHBHORVIHSUQSL-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)n1 2255636130 QDLLWLOUNXOOIK-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC=CCNC(=O)OC(C)(C)C)n1 2255649322 JJZBQQHQSPCKKM-UHFFFAOYSA-N 431.342 2.500 30 10 IEEE C#CCN(CC(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256598276 ODUCCZBERZVOEP-AWEZNQCLSA-N 449.382 2.490 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256626341 IXWMMCUWLNFVFB-HALDLXJZSA-N 429.326 2.432 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917434 VNFDLBUSPHGUNT-RHSMWYFYSA-N 429.278 2.367 30 10 IEEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267093826 YHZPSWMSRORTRD-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267134158 LUFUFQGOBVXJBS-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267263504 GXCQRPBLOVRMHG-ROUUACIJSA-N 446.353 2.086 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)n1 2267503591 GHYGHFKRFCCAPW-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE Cn1ncc(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267505527 JSUBQBUHUOMRFU-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519457 HLEKQYOEWMQDBX-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@@]34CC[C@@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2267520156 LLLOHRYSUDNTBB-HOYKHHGWSA-N 436.365 2.351 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2268715737 ACYCAGRAGNNZKU-QGZVFWFLSA-N 448.369 2.077 30 10 IEEE COCC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2268717656 TWMYYROMQWAOQJ-UHFFFAOYSA-N 447.341 2.203 30 10 IEEE COc1[nH]c(=N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317502026 UEHLKKOOEYJZDK-HNNXBMFYSA-N 431.342 2.399 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)cc1O 2326823462 GNQKOVILGQRVCI-UHFFFAOYSA-N 443.485 2.127 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334270258 RPMPSVPQKIEMNH-YQQAZPJKSA-N 443.353 2.427 30 10 IEEE C[C@@H](C#CC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl)NC(=O)OC(C)(C)C 2366940153 WGFXAOIQMTXSJB-VIFPVBQESA-N 436.317 2.496 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1 24327807 YFQPDWCRGOGJIA-UHFFFAOYSA-N 425.514 2.213 30 10 IEEE N#Cc1ccc(Cn2cnc3c2c(=O)n(C[C@@H]2CCCO2)c(=O)n3-c2ccccc2)cc1 34694725 CNBWOXIOZCLAHV-FQEVSTJZSA-N 427.464 2.448 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 105499808 KNIKILABXJUCAS-UHFFFAOYSA-N 432.528 2.004 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 109940637 NDURXZLCXURLAB-FQEVSTJZSA-N 445.504 2.322 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)CC1 426220227 NTDZOVNKLIASCG-WXDDMHMLSA-N 434.540 2.451 30 10 IEEE CC[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 472431299 KKXILBAKKSDEFT-XZOQPEGZSA-N 448.571 2.464 30 10 IEEE CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)cn1C 477791641 RJVUXIGZMUHGCJ-UHFFFAOYSA-N 445.545 2.238 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccncc2)cs1 481533305 QCYXGLVNUDOUQU-CYBMUJFWSA-N 427.511 2.060 30 10 IEEE C=CCN1CCC(NS(=O)(=O)c2cc(Br)ccc2OCCOC)CC1 485890144 QMFOUAQYBBAFIF-UHFFFAOYSA-N 433.368 2.403 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cc1 488373727 OIWUJIBLJLDWBB-LJNBNGNOSA-N 443.569 2.124 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H](CN4CCCCCC4)C3)n2)cc1 491283932 NHERDOVQQRRVNY-OAQYLSRUSA-N 449.559 2.251 30 10 IEEE C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](c2ccccc2)O1 492517695 YMPWKKYKWRKCBW-UZLBHIALSA-N 430.468 2.125 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2o1 508827038 PPZFDKWPXUYQSY-SFHVURJKSA-N 431.518 2.180 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 508908225 RLQWQBZWURJTAL-MJGOQNOKSA-N 429.546 2.145 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 511416849 VDJSDJWHHSCZFP-IBGZPJMESA-N 443.511 2.031 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccc(S(C)(=O)=O)cc1 511463527 NYZLZKHBPNVYNC-JOCHJYFZSA-N 443.525 2.236 30 10 IEEE COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 518027363 FJBWODUKAYWPBG-PMACEKPBSA-N 425.510 2.203 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 524516953 UMAJEIREWIAVDT-SFHVURJKSA-N 432.565 2.420 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 539505536 GEQXLBSANLKWEY-HNNXBMFYSA-N 446.533 2.311 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCNS(=O)(=O)c2ccccc2)n1 542960056 KMDJPMDOYYLZMH-UHFFFAOYSA-N 444.904 2.497 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)c1ncnc2cccc(I)c12 546574088 BSEROYYUCKGEFR-UHFFFAOYSA-N 433.257 2.480 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCOC1 550092608 CKGXPCVXTHUENS-GDBMZVCRSA-N 431.566 2.179 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 562037013 ULEBWPXWNBCOIC-QFBILLFUSA-N 443.515 2.293 30 10 IEEE CN(C)C(=O)CCN1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 584547120 ILRCQBXOKQOKFB-UHFFFAOYSA-N 445.995 2.441 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)cc1 589456668 TVPZWHJZXVAYBJ-GOSISDBHSA-N 431.539 2.305 30 10 IEEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(CC)c(=O)cc2C1 619839916 PQRCNDSZTBBHPD-UHFFFAOYSA-N 433.516 2.383 30 10 IEEE C=CCOCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 679495340 LNOJECHQWFIQRA-GFCCVEGCSA-N 437.381 2.230 30 10 IEEE COc1cccc(N2C[C@H](N3CC(=O)C(=C4N(C)c5ccccc5N4C)C3=N)CC2=O)c1 725909527 JOKJOBQIUFFHMU-MRXNPFEDSA-N 431.496 2.460 30 10 IEEE C#CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)[C@@H]1CCS(=O)(=O)C1 729332742 WNKAEINXZOVSML-QGZVFWFLSA-N 446.598 2.173 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cn1 763705877 LHQZQHMEWXMJSV-UHFFFAOYSA-N 440.460 2.315 30 10 IEEE COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 764443750 DOVSNSUKEUVYHI-CCNROEMFSA-N 425.485 2.071 30 10 IEEE COc1cccc(S(C)(=O)=O)c1NN=C(C)c1ccc(N2CCCS2(=O)=O)cc1 767394034 NMQSSJWOOLQXAV-UHFFFAOYSA-N 437.543 2.475 30 10 IEEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 773583759 WZTHBYQYTRXIIM-AYBZRNKSSA-N 427.505 2.220 30 10 IEEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774271266 JQVDEIFQMKJZEV-GOSISDBHSA-N 434.606 2.464 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781663139 XSJGVIJNCUEEEI-UHFFFAOYSA-N 443.569 2.085 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 784509749 DCEZKSVCFCVMHF-SQNIBIBYSA-N 425.514 2.299 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 788323522 NKHWEPVVRAHQTC-KRWDZBQOSA-N 445.568 2.221 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 793333307 UFMCPEZVIITIAK-FQEVSTJZSA-N 445.472 2.491 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCSC2)c1 794451554 YXGHGWMIDLXQCO-ZWKOTPCHSA-N 430.599 2.173 30 10 IEEE COCCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 802489035 XHTRZSOEBMSEBY-FQEVSTJZSA-N 431.500 2.194 30 10 IEEE C#Cc1cncc(C(=O)NCc2ccccc2N2CCN(C(=O)c3cncc(C#C)c3)CC2)c1 806855430 LRFXHLKUNRJGHW-UHFFFAOYSA-N 449.514 2.332 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2C1=O 917017432 SHKKKHOZXLCTMU-LJQANCHMSA-N 444.447 2.132 30 10 IEEE Nn1c(NN=Cc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1083965166 PZMWFUAJWUUWIU-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE N#C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Br)cc1 1136161439 MONKUPPXRHEHDJ-JKSUJKDBSA-N 427.258 2.271 30 10 IEEE C#CCN(CC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1)C(=O)OC(C)(C)C 1137068995 QSMCQIJYBZNUIU-OAHLLOKOSA-N 431.489 2.177 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2ccc(OC)cc2OC)c1 1137935332 OCEBLNATMFSVGF-UHFFFAOYSA-N 431.510 2.136 30 10 IEEE CC(C)(C)OC(=O)c1cncc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1163591663 GCUSIVZHAJKGFQ-UHFFFAOYSA-N 444.513 2.494 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccccc3OCCN(C)C)CC2)c1 1167882332 ZFHZSOGDQJMRFP-UHFFFAOYSA-N 449.555 2.079 30 10 IEEE N#Cc1ccc(NCC(=O)N2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)nc1 1168444240 FCTVESMWCGYNEL-UHFFFAOYSA-N 432.406 2.347 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OC)c2ccc(OC)c(Cl)c2)c1 1194204058 LYLKBQSTYAAMNY-IBGZPJMESA-N 429.860 2.482 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(C)(C)C1 1251287230 SOFGOEBMEFWGAF-QGZVFWFLSA-N 428.537 2.430 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1286314428 OLRONUJJSGLDNT-CYBMUJFWSA-N 430.372 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cnnn1C 1286404335 QAMUXIPRIPVOQR-UHFFFAOYSA-N 428.269 2.096 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1286564256 FXRHEYQRWVQJCF-WMZOPIPTSA-N 439.626 2.417 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286704000 WEJXRZXAWIKDFC-QGZVFWFLSA-N 442.568 2.195 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1286753023 RETKRLVGIILGCA-UHFFFAOYSA-N 431.562 2.410 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1286973000 YKAAIKXMUXYZBM-INMHGKMJSA-N 428.541 2.426 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccc(C#CCO)c4)CC3)cc2NC1=O 1292805092 HRTWTABAOAVNNA-INIZCTEOSA-N 432.476 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300570589 TUIXOBBXYFCPMP-GOSISDBHSA-N 432.450 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(F)(F)CO1 1300591116 LFPNTRXSIATDOO-HNNXBMFYSA-N 433.484 2.157 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@H]2CC(F)(F)CO2)n1 1300680978 IJWRZWDPWJVJPO-GOSISDBHSA-N 434.491 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300718341 KSWCHFMETMDKFF-INIZCTEOSA-N 433.459 2.237 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1300914064 AYMQKYLVLWDPLJ-KRWDZBQOSA-N 426.583 2.026 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br)C1CC1 1301313574 BSCJUWDLPGAOQZ-VIFPVBQESA-N 428.303 2.031 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301490995 KHTCPXMWFNZTJC-UHFFFAOYSA-N 434.548 2.372 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC)Cc1ccc(F)cc1C 1301498719 SRJJKKZOJHOVGP-SFHVURJKSA-N 428.512 2.396 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)N[C@@H](C)CC)CC2)cc1 1301518397 IVKSEZGZDCZKKG-SFHVURJKSA-N 426.565 2.236 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(NC(C)=O)nc1 1302241499 HQDFPHVAZHVZSF-FNHZYXHNSA-N 427.509 2.142 30 10 IEEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1305310609 HIQVQLRATSNENW-HSZRJFAPSA-N 448.531 2.006 30 10 IEEE C[C@]1(C(F)(F)F)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1308016717 HSXNNXWMJYVGFW-PKOBYXMFSA-N 428.430 2.188 30 10 IEEE CN([C@@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309197710 FJLRRCFDNCIGMU-HUUCEWRRSA-N 435.365 2.297 30 10 IEEE CCN(C)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1313573407 FWBFSQNVJPPLCO-JOCHJYFZSA-N 431.544 2.493 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1314531029 VTIMYRNABVZQDB-NRFANRHFSA-N 429.546 2.258 30 10 IEEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1316029387 VSIHCPYKYYWEQO-UHFFFAOYSA-N 426.521 2.382 30 10 IEEE CN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccc(F)cc1 1323005350 TVWYZFYREKCNBW-ONTIZHBOSA-N 449.486 2.464 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCOC2)CC1 1359030963 LLUOLWBNYIUDEH-OAHLLOKOSA-N 433.354 2.218 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1359043080 GMCJDXZHWLYCAA-UXHICEINSA-N 449.603 2.426 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1359083049 AVEZVHAAHGRBPI-AWEZNQCLSA-N 433.372 2.442 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1359270875 DVHCODKLGCKLAD-CYBMUJFWSA-N 436.442 2.329 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccs1 1359279091 SNUOMUZDZPEXQA-UHFFFAOYSA-N 433.559 2.492 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1359336339 MMQMMIAMZKYOAS-CEXWTWQISA-N 438.594 2.373 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1359631204 TWMQHYWLJMCOFO-JOCHJYFZSA-N 442.495 2.321 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1360475892 FNZCHTOEFMRJBQ-WBVHZDCISA-N 431.562 2.194 30 10 IEEE N#Cc1cccc(OCc2cccc(C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)c2)c1 1437083379 MJEAPQGOWYNDDA-JOCHJYFZSA-N 426.494 2.167 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 1438328837 KUXZXFAUNAWCMX-UHFFFAOYSA-N 425.441 2.266 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 1443866441 MFQOUAVUZRBNTL-UHFFFAOYSA-N 428.485 2.221 30 10 IEEE C=CCn1cc(C(=O)N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)nn1 1449154717 RVFHHIKNZVKNSH-QHCPKHFHSA-N 444.539 2.280 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1449354865 ZXMYXUPVJXQMPN-QGZVFWFLSA-N 434.562 2.342 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)cc1OC 1454136518 PFXYLRKHIZGNJO-SFHVURJKSA-N 434.537 2.439 30 10 IEEE CC(C)CN(CC1CCN(C)CC1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1455084975 KLRVYZRTYQHRES-QGZVFWFLSA-N 434.606 2.330 30 10 IEEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1462749330 GWGGEUIVQQOIGE-LJQANCHMSA-N 429.498 2.053 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2OCCC)CC1 1465042177 SNEDZYVKDDSRHV-UHFFFAOYSA-N 448.467 2.111 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCN(C(=O)C4CC4)CC3)C2)C1 1466921107 CWSXWBJRQJRSSQ-OTQYULQBSA-N 430.549 2.244 30 10 IEEE CCS(=O)(=O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1467659100 TUDOVOBNKNWKFE-UHFFFAOYSA-N 440.363 2.183 30 10 IEEE C=CC[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccncc1 1468884288 MSDGQHSLTSWJLJ-FQEVSTJZSA-N 429.546 2.061 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(OCCOC(C)C)CC2)ccc1F 1468941307 AQTHMVVMKKXGCR-UHFFFAOYSA-N 428.526 2.336 30 10 IEEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1470550896 DATRVUCSGAFDJO-DHIUTWEWSA-N 448.571 2.322 30 10 IEEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 1473540261 YUCRYUBVCNLDMT-MRXNPFEDSA-N 439.965 2.177 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 1475094869 BXGVNSRXEDOGBS-IRXDYDNUSA-N 442.379 2.367 30 10 IEEE C#C[C@H](NC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1)c1ccc(Br)cc1 1478895869 HHQVBSVNAPJCSQ-INIZCTEOSA-N 441.347 2.113 30 10 IEEE C#C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(Cl)cc1 1478897663 YZHWCKGCCZPDBF-TWODHEICSA-N 438.933 2.213 30 10 IEEE CCOCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1503167741 RNDPYWWKJKTDSY-GCJKJVERSA-N 433.553 2.254 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507625706 KVMAWBCPZCDUCI-YADHBBJMSA-N 441.601 2.124 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507629895 QQGRHMXOAOBERH-MSOLQXFVSA-N 445.564 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cnnn1C 1507662368 RDTFJDOYMMKJGV-UHFFFAOYSA-N 442.296 2.486 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507669723 QKODNUAYBQEDJI-XZOQPEGZSA-N 433.556 2.146 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC(F)(F)F 1508071130 BHMKUFLPNQQHRG-UHFFFAOYSA-N 443.426 2.272 30 10 IEEE C[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1512243709 FKULFWIKTVWXFV-INIZCTEOSA-N 446.602 2.184 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1514476760 ITXADSZYHJATQT-SFHVURJKSA-N 437.504 2.002 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1518764442 GTNIWIDMIWGUPQ-MOPGFXCFSA-N 428.512 2.388 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)c1 1527476929 WHOQOKUQSQSJIV-INIZCTEOSA-N 430.555 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1539003146 MEGZHKCCFDZDNU-IRXDYDNUSA-N 438.532 2.355 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1539196499 PLRMWDXINASFGW-SFHVURJKSA-N 436.516 2.336 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OCC 1539265056 CRMPGBJFDJVONO-GOSISDBHSA-N 445.564 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C=C)cc2)CC1 1539476874 GWMNJLDEQVZYPC-NRFANRHFSA-N 446.555 2.081 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1[C@]1(OCC)CCOC1 1540875997 FATQIDXRARPTLU-CVDCTZTESA-N 441.532 2.280 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCOCC2)C1 1540894390 XEBRJMUFDWILPB-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1COCCO1 1541183897 WUKLMOQZSCVEOC-IBGZPJMESA-N 439.564 2.265 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 1543483070 KMZWLSGOIIBENH-KRWDZBQOSA-N 430.516 2.381 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1547080263 HDJRPBWYODZEQI-UHFFFAOYSA-N 436.520 2.466 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C 1547709847 AQIDYMUZUHCPIT-PKOBYXMFSA-N 442.589 2.172 30 10 IEEE COC[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1555240532 HRBFGQFOCRIWOY-SFHVURJKSA-N 432.532 2.140 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccsc2)CC1 1555810539 HGNPBEFYIWMNSC-UHFFFAOYSA-N 428.543 2.008 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 1557341562 WHCDRGKTCRZYJI-BTYIYWSLSA-N 447.944 2.389 30 10 IEEE N#Cc1cn(C2CN(c3ncncc3-c3ccc(Br)cc3)C2)c(=O)nc1O 1559238141 VWFCDKZCUGROQU-UHFFFAOYSA-N 425.246 2.101 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1Br 1570058367 NFCTZVNHSIISFU-GFCCVEGCSA-N 426.336 2.255 30 10 IEEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 1586056835 IUQIGAGFOPFQAJ-UHFFFAOYSA-N 446.554 2.195 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(C)C)c1 1587561708 HGGYTXMHCDYWJX-IRXDYDNUSA-N 433.578 2.429 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1588029017 CBNWVECCXIALPR-GDBMZVCRSA-N 437.591 2.240 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588040410 MPUHFHXQHJWGOC-RTWAWAEBSA-N 440.569 2.479 30 10 IEEE CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)[C@@H](C)C#N 1588119331 MXTYPGAYECTYMC-LBPRGKRZSA-N 428.898 2.409 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N(C)C1CC1 1588228582 HKKMEFXHNQLEBQ-HXUWFJFHSA-N 446.603 2.398 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCS(=O)(=O)CC1 1588293166 PNVGWFPQWKKQRA-UHFFFAOYSA-N 432.546 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCC1(O)CCOCC1 1588619801 GDLDNEDZNJPRCK-UHFFFAOYSA-N 437.544 2.454 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589068457 BXNWNQBDWACYCX-UHFFFAOYSA-N 427.640 2.141 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1595191351 QBEAQOSVCKFLSC-GOSISDBHSA-N 433.520 2.014 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2=O)C1 1603252997 HNCJKJXRBRVPHX-KRWDZBQOSA-N 426.517 2.172 30 10 IEEE COC(=O)[C@@H]1CN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 1612973889 CNPLEMUGSYVWDJ-ZDUSSCGKSA-N 434.424 2.452 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H]([C@H]2CCCO2)C1 1617306212 LJSYMKMFLVNANG-SGLNWRHMSA-N 429.492 2.483 30 10 IEEE Cn1cc(Br)c(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1=O 1617700346 CGOPDWJRBMBNLV-UHFFFAOYSA-N 438.303 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CN3CCN(c4ccc(C#N)nc4)CC3)C2)C1 1620559577 XDZQPGKSPPACBQ-OFNKIYASSA-N 427.549 2.491 30 10 IEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1620623979 LSTVRHZESRVSPK-IIBYNOLFSA-N 442.541 2.209 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1624692788 UPZVMMKTGQUZGM-QFIPXVFZSA-N 445.520 2.098 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)CC1 1628146388 HVZSSMRKCIJXSS-UHFFFAOYSA-N 425.451 2.147 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@H](O)C[C@H]2C(=O)OC)nnc1-c1ccc(Cl)cc1 1631729433 JUXITVPNWNKYRJ-CABCVRRESA-N 436.921 2.011 30 10 IEEE CCCOc1ccccc1C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1632333579 OXJUSOYVDHFZFR-HNNXBMFYSA-N 429.498 2.013 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)nn1 1634689955 OYYUYFDDVSGCBU-UHFFFAOYSA-N 440.504 2.358 30 10 IEEE C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1636290776 JCVJNNUFCIRBRJ-NCWZLXQNSA-N 432.565 2.095 30 10 IEEE CC1(C)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC[S@]1=O 1636701333 DUBJFKZJFKFELW-MUUNZHRXSA-N 439.603 2.045 30 10 IEEE COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccncc1 1639343971 BHCMSTOJYMCJEX-CRAIPNDOSA-N 426.860 2.380 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@@H]1Cc1ccc(O)cc1 1640436206 LRHWHYJZLADLAH-QGZVFWFLSA-N 427.526 2.445 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(C2CCC2)CC1 1640820859 BYCOHXZHUKNGGY-LJQANCHMSA-N 432.590 2.273 30 10 IEEE C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1651247679 NCBRWXJHBNXTOU-XAYKYTGQSA-N 439.331 2.055 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN([S@](C)(=N)=O)CC2)n(-c2ccc(F)cc2)c1C 1655525344 XNWVETMQLBACOS-PMERELPUSA-N 432.525 2.253 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCc2ccccc2CN2CCCC2=O)C1 1659719762 HUNIGXSYSDDCKU-VWLOTQADSA-N 431.540 2.378 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1672736230 DGOYCXDDZKKFJR-UNMCSNQZSA-N 428.577 2.248 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 1680685793 NWONCCWGEYSLOJ-KRWDZBQOSA-N 431.352 2.043 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986773 WWDXGEYYLUFABY-RTBURBONSA-N 444.605 2.022 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1689994148 RZFRVOHYBHUCKC-LJQANCHMSA-N 427.574 2.327 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC1=CCc2ccc(OC)cc21 1690102515 NBBAAEPRJOGVTN-OAQYLSRUSA-N 435.528 2.354 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690170090 YVWJAVFBNWHPQH-MRXNPFEDSA-N 433.545 2.016 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690178634 CZOKVSDURBYEJE-UHFFFAOYSA-N 448.600 2.364 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690178981 JVNFUKGKGXWFAM-JOCHJYFZSA-N 427.574 2.405 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OCC)CC1 1690666737 FGUHAMFRPSTVHI-UHFFFAOYSA-N 449.515 2.074 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)C1CC1 1697191310 GGGYATNPUFTYSI-FQEVSTJZSA-N 438.532 2.246 30 10 IEEE COCCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697968859 RLQFGYROXFPYHA-FQEVSTJZSA-N 426.569 2.133 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705493956 QZUBDNCZWANAOI-SJLPKXTDSA-N 431.562 2.276 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)on2)CC1 1705523428 WZOPPASGFAHWCW-FPOVZHCZSA-N 442.564 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1c(CC)nn(C)c1OC 1705586200 YXPQOZIJOMELKN-UHFFFAOYSA-N 436.491 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2CCCCC2)CC1 1705650610 VJRRXGUMYBVPKJ-UHFFFAOYSA-N 426.609 2.461 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705812386 YHRGSKJFFIJCSX-YWZLYKJASA-N 437.541 2.092 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C)COC1 1705884331 LWBUUQFMECENDA-UHFFFAOYSA-N 427.553 2.127 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1705920713 CZIMXLATXBOHRU-APWZRJJASA-N 432.546 2.170 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CCC2)C1 1705929394 PTBZJMUPRAYYBH-PBYQXAPXSA-N 432.594 2.222 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705942755 CIRHCCQYXYOSDN-GOSISDBHSA-N 444.609 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1722293655 DNLKEKFGMFNLJG-QAPCUYQASA-N 430.530 2.216 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722345510 GENSSHVBDUKOTN-AZUAARDMSA-N 443.573 2.227 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722367794 OGNXVQLWNLQOQP-OAHLLOKOSA-N 432.537 2.165 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1722511485 ZTBLCXKBBBCJAO-XLIONFOSSA-N 433.578 2.116 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1722584819 XYKPMGGDGRYOPF-QGZVFWFLSA-N 425.537 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722693688 XMFUWBJXVITOKS-SFHVURJKSA-N 442.951 2.492 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722701415 PENRNHXITOKPOF-SBUREZEXSA-N 444.580 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2ncccc2F)CC1 1722726900 JSORIGJDPJSGDL-UHFFFAOYSA-N 434.541 2.007 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1COCCO1 1722953825 WEYIBNWTEHAGOS-LJQANCHMSA-N 439.564 2.265 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(C)c(OC)c1 1730878464 VONFQCDRSLDJEJ-IEBWSBKVSA-N 429.521 2.291 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCOCC(F)F)c1 1731182174 VZJUJQSWBOBZHS-CVEARBPZSA-N 432.431 2.033 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCNC(=O)c2cccs2)c1 1740564354 KKZCFDWFEZDLSQ-UHFFFAOYSA-N 436.541 2.388 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(CC)nn(C)c2CC)CC1 1740704721 SFYLVXXAPDHBBK-UHFFFAOYSA-N 448.575 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1740706388 UJCIURATGYOLIY-REHUZNOOSA-N 443.592 2.486 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(CCOC)no1 1740743771 DUFPTDMWODCSON-CYBMUJFWSA-N 441.330 2.289 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740851737 DFEFWOARQOUWFW-QGZVFWFLSA-N 425.599 2.498 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1740951006 PGEPZENSDCZCKH-QUCCMNQESA-N 449.559 2.242 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740956864 SVODKWWNMUUCPQ-MRXNPFEDSA-N 445.955 2.181 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCc2cccc(Br)c2C1 1740964638 SFKJBRKLOFDNHA-UHFFFAOYSA-N 434.338 2.442 30 10 IEEE CN(C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 1747518552 HMHMLKGSOJVYDM-HSZRJFAPSA-N 441.580 2.435 30 10 IEEE C#CCN(c1nnc(C)n1CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1748804726 KIEYCOBLTIZEQV-MRXNPFEDSA-N 442.463 2.355 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1748842602 OMWPYOSKEUQWGX-UHFFFAOYSA-N 449.536 2.204 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCS1(=O)=O 1748968475 GKUQOSMQNBTVEW-FQEVSTJZSA-N 446.573 2.219 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncnn1CC(F)F)c1ccccc1 1749244214 IASKJIXAGSJFQS-MRXNPFEDSA-N 442.474 2.436 30 10 IEEE COC[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749313818 CRHOSRNJNMJBQK-GOSISDBHSA-N 432.532 2.140 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749366706 KBMQFWLHKMQBSE-INIZCTEOSA-N 425.599 2.245 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749408798 MKCBBGVVQLDVPF-UHFFFAOYSA-N 440.596 2.153 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1749454419 FMZIGEBKDMFFDH-CALCHBBNSA-N 438.532 2.398 30 10 IEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749455378 UAEISYIZODWUMH-RXVVDRJESA-N 426.565 2.398 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1749488186 IYVWCPDDYNPEPI-CQSZACIVSA-N 445.998 2.191 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1749668995 BHXPZFYCKWPJCZ-GOSISDBHSA-N 441.511 2.387 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2Cl)C1 1749694434 RVCALKVYIBTDGZ-MRXNPFEDSA-N 446.939 2.423 30 10 IEEE CC(=O)N1CCN(CCn2c(C)nnc2N2CCC[C@H](Cc3ccc(C#N)cc3)C2)CC1 1749883890 CXAGCWNBIIQXSW-HSZRJFAPSA-N 435.576 2.081 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CCCOCC(F)F)CC1 1750384554 DNZGPVQKSCKYKW-KRWDZBQOSA-N 447.490 2.047 30 10 IEEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1751805878 BXGUQKLEQGVDOS-KRWDZBQOSA-N 432.532 2.469 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H]1OC 1760227125 VSMIZVIGNNZNEX-UYAOXDASSA-N 445.589 2.470 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(OC2CCOCC2)c1 1760246554 UKJLBOZXTIYRQC-UHFFFAOYSA-N 436.516 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1760288065 PBPGWUSDNYOTSO-HSZRJFAPSA-N 435.532 2.320 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1760453340 SWWZWVXNQXSVAQ-HXUWFJFHSA-N 427.549 2.279 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760566173 NOLXUYZLQGOMFC-IAGOWNOFSA-N 440.635 2.231 30 10 IEEE CCc1ccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1762596685 UAWQFYWCMUAHOZ-XDOYNYLZSA-N 436.516 2.261 30 10 IEEE CCOCc1nnc(N2CCC(C#N)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1767807839 GVPJQNOSXGHVBT-INIZCTEOSA-N 430.475 2.208 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)(C)C 1768118063 ZIWCBJDHBLVTLA-RTBURBONSA-N 439.564 2.436 30 10 IEEE COc1cc(C)ccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1768254738 JPNMLNRICLOWAR-AUSIDOKSSA-N 441.532 2.413 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)cc1 1768530548 ABWZJEYDLKIPPK-FQEVSTJZSA-N 427.505 2.268 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C(C)C)C(C)C 1771304903 NIVUBPPMCGXUNO-UFYCRDLUSA-N 434.585 2.240 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)ON1C(=O)c2ccccc2C1=O 1772789317 DKTBYTCXOLQVMA-MRXNPFEDSA-N 436.873 2.397 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](OS(C)(=O)=O)CN(C(=O)OCc2ccccc2)C1 1848350705 PCJOPKRTWSFBOX-HZPDHXFCSA-N 428.507 2.267 30 10 IEEE Cc1noc(-c2ccnc(-n3cnc(C(=O)N4CCN(c5ccc(C#N)cc5)CC4)c3)c2)n1 1850984717 PDIZDNIHZPXUFG-UHFFFAOYSA-N 440.467 2.460 30 10 IEEE Cn1cc(I)cc1C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1852387573 PUHAMUCLTIMPSR-UHFFFAOYSA-N 426.302 2.470 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1853082216 RZAFBLBNUJNWFI-CYBMUJFWSA-N 445.398 2.248 30 10 IEEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)C2=O)cc1 1854977261 YFAPIBZONSIMET-LJQANCHMSA-N 443.912 2.111 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CSc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857074500 KEFSKQDFDLYULO-VQIMIIECSA-N 433.549 2.402 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572797 MYPCXJUKKWVEEK-BUXKBTBVSA-N 441.436 2.361 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)N3CCn4c(C#N)ccc4[C@H]3C)CC2=O)cc1OC 1866320179 WYWJTIZPSGQYTJ-AEFFLSMTSA-N 436.512 2.371 30 10 IEEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)CC1=O 1870149673 NGDHOWGFBZMTNI-ZBFHGGJFSA-N 444.451 2.416 30 10 IEEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870442497 WTLLULJNTVMZCP-UHFFFAOYSA-N 435.528 2.210 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CCOCC1 1870699293 PWZWOTCJBMMFOF-UHFFFAOYSA-N 427.501 2.283 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OC)cn1C[C@@H](C)O 1870747599 LCRIHJNDVWTSGK-GOSISDBHSA-N 441.528 2.429 30 10 IEEE CCOC(=O)c1sc(C2=C(N)N(c3ccc(N4CCN(C)CC4)cc3)CC2=O)nc1C 1873529814 LSMJMMCAIMJZQN-UHFFFAOYSA-N 441.557 2.097 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)CC1 1890409600 OGFMTALBEPRCDD-UHFFFAOYSA-N 444.576 2.358 30 10 IEEE COc1cc(CCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc(OC)c1OC 1891500462 GFPRMFMISBWHPD-MRXNPFEDSA-N 426.473 2.377 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1991989474 IOKIUJDIYRHVAC-HXUWFJFHSA-N 425.526 2.088 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2010151310 PDWBHPOVQKQRCS-ULQDDVLXSA-N 439.553 2.027 30 10 IEEE COc1ccc(C=CC(=O)C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1OC 2053649183 NEELBILQZMAYCY-GBXCKJPGSA-N 436.508 2.398 30 10 IEEE CN1CCC(C#N)(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2060822561 WCEOCOPENNCDOO-XMMPIXPASA-N 441.576 2.260 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2098189775 ZOLGNNNJEBPQLU-LLVKDONJSA-N 434.165 2.430 30 10 IEEE CC1(C)OB(c2ccoc2CNCCn2cnc(I)c2)OC1(C)C 2221427501 CFESAFIPNQUGTL-UHFFFAOYSA-N 443.094 2.170 30 10 IEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ncccc1B1OC(C)(C)C(C)(C)O1 2224145269 VOCAZSNCKOILKL-MRXNPFEDSA-N 433.358 2.453 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@H](CS)C(=O)O 2229119786 GTPGCIMOUQRFQP-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237398707 NUQXBLFARXQIBN-UZLBHIALSA-N 437.334 2.482 30 10 IEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2247774142 TTWKTSTWCRVNEE-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE CC1(C)OB(c2nc(=NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)s[nH]2)OC1(C)C 2249030624 ZCBNRYYGDVYTMW-INIZCTEOSA-N 428.367 2.110 30 10 IEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254744842 UQPOMOYIUHBLNA-CZUORRHYSA-N 436.314 2.214 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2254793437 SSAYVCLHDAGHGY-UHFFFAOYSA-N 432.374 2.345 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255367173 BDBZOSYSJJCJFK-QFIPXVFZSA-N 433.358 2.237 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255638854 MIGXMMFXCASCSM-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256606355 SNLMABHGVAFJMU-INMHGKMJSA-N 436.358 2.441 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256678644 PEFSYQMYSUGBBY-ZDUSSCGKSA-N 438.305 2.197 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2259922818 PUFKGTLGHYPRLQ-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)=NO2)C1 2260822138 OZDRNKUIPMVCNI-DJGBTNNQSA-N 435.330 2.446 30 10 IEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267185679 YVMKRFJJCPQEAO-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267266558 DQNACPNZNFBWQD-SJORKVTESA-N 449.332 2.458 30 10 IEEE C[C@@H](O)CN(CCNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267579930 ACOYUMCKRCBFCO-MRXNPFEDSA-N 448.369 2.334 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267614237 LCKCKHIQRIAPOD-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267871678 CQXROJIALZVFSW-AWEZNQCLSA-N 446.357 2.151 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2268605063 DLXIFHRAPIVLLM-INIZCTEOSA-N 447.341 2.001 30 10 IEEE C[C@@H]1COC[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N1C(=O)OC(C)(C)C 2268646929 LREKSUKDORTTBT-ZBFHGGJFSA-N 447.341 2.344 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268647302 YHOSZVBNGOHONU-JKSUJKDBSA-N 447.341 2.201 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268705650 FSLOACOESGVEAM-SFHVURJKSA-N 448.369 2.220 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccco1 2296091561 UHOHETUAPRQXIK-LJQANCHMSA-N 441.440 2.332 30 10 IEEE O=c1c(Br)c(NN=Cc2ccccc2Cl)cnn1[C@H]1CCS(=O)(=O)C1 2322659795 MINQDLNOWXQPQN-NSHDSACASA-N 445.726 2.465 30 10 IEEE COc1ccc(C=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1O 2323400527 SBOUCDWSSFDSMY-UHFFFAOYSA-N 430.236 2.384 30 10 IEEE COc1[nH]c(=N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2339786367 KLAQZEDZXPNUDB-YQQAZPJKSA-N 445.369 2.479 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 9333824 DKFADPUFISZQJP-UHFFFAOYSA-N 435.889 2.370 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)NCc1ccc(F)cc1 20915452 AZKCMBMDSXNSHT-FSJBWODESA-N 429.481 2.081 30 10 IEEE C=CCn1c(CN(CCN(C)C)C(=S)NCC)cnc1S(=O)(=O)Cc1ccccc1 36032382 MIWNUYVKEGTBJU-UHFFFAOYSA-N 449.646 2.301 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 59832216 TUCFOVFSSVDCFO-AWQFTUOYSA-N 440.489 2.483 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(C)ccc3C)n[nH]2)cn1 59886958 FEUKASNKLYHUCS-AWQFTUOYSA-N 428.522 2.441 30 10 IEEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2cccc(Br)c2)[nH]1 253573942 SACQLQALZPQTFX-FRKPEAEDSA-N 427.284 2.378 30 10 IEEE COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc3c(c2)OCO3)cc1 254740966 PXFVBHGQEHITAO-CRAIPNDOSA-N 446.506 2.339 30 10 IEEE C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@]2(CCO[C@H](C)C2)O1 430286198 XADBWHVQRLNJER-MDPIYQRISA-N 432.590 2.115 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 436932283 MYXRICILOKZZQK-UHFFFAOYSA-N 443.525 2.337 30 10 IEEE N#Cc1cccc(N2CCN(C[C@H](O)COc3cc(F)cc(Br)c3)CC2)n1 439460349 XYVNCZRTIIWBLK-KRWDZBQOSA-N 435.297 2.417 30 10 IEEE CCN1CCN(Cc2ccccc2CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 440052764 PGGGLKCAVPBBHZ-UHFFFAOYSA-N 430.549 2.454 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 446650052 XFNNTLDWFATUHW-UHFFFAOYSA-N 439.541 2.407 30 10 IEEE C=C(C)CN(CC)C(=O)COc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2 447790571 YGNMPGTVRSKHIK-UHFFFAOYSA-N 440.500 2.438 30 10 IEEE COc1cccc(OCCN2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)c1 462092253 LAELOIKQUNWOEV-UHFFFAOYSA-N 447.499 2.376 30 10 IEEE CNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 469952812 KWGUGFKVCADJNK-UHFFFAOYSA-N 426.498 2.430 30 10 IEEE CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cs1 482458451 VGMKKKLGAQCJBG-KBPBESRZSA-N 436.559 2.438 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 486641606 WBZUDFZZUADYBK-QGZVFWFLSA-N 447.900 2.078 30 10 IEEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 488278748 CYFNFXQWHIGOSR-IRXDYDNUSA-N 439.516 2.267 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cn4cc(Cl)ccc4n3)C2=O)cc1 505322713 KMSLBLDQHJFIOG-QGZVFWFLSA-N 436.859 2.381 30 10 IEEE N#CCCn1cc(C(=O)N2CCN(c3cccnn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 506526520 UWJPJLIEKQWLQP-UHFFFAOYSA-N 432.444 2.124 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 508883534 BDHRJTJKSSTUFU-UHFFFAOYSA-N 437.504 2.274 30 10 IEEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)CCOCc1ccc(C#N)cc1)C2=O 517053884 VTUNHGCOAXNLQI-GPVSGQMNSA-N 426.517 2.280 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1-c1ccccc1C#N 518704436 MEMQXKGHGUKMJS-UHFFFAOYSA-N 442.544 2.417 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)n1 544878677 MCJOYTXKKJBOFM-FQEVSTJZSA-N 433.512 2.210 30 10 IEEE CCSc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C#N)c2=O)c1 545315944 CNFBLQUJZOGXAM-UHFFFAOYSA-N 446.557 2.132 30 10 IEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 549665785 WEGKNGJXPZIMGM-FQEVSTJZSA-N 425.533 2.303 30 10 IEEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCCOc1ccc(C#N)cc1 551477874 UCOKUMLTDCOLQW-XMMPIXPASA-N 432.480 2.442 30 10 IEEE N#CCCn1cc(C(=O)N2CCO[C@@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 578780067 YJSDXYZBMWYAHS-NRFANRHFSA-N 425.445 2.394 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c(F)c1 585774882 NAAIWQLZFRDOMC-UHFFFAOYSA-N 431.427 2.277 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@H](C)C(=O)OCCC(C)C)nc1C 586304561 PPKWZYYPBRCHQA-QYSRSOONSA-N 430.548 2.459 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 609428642 BTVKLWKRYAOISM-IBGZPJMESA-N 432.524 2.449 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)cc2)nc1 609548120 PWJJNISNKMIPKA-UHFFFAOYSA-N 428.452 2.202 30 10 IEEE COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138833 NSHBXVGBPDFCTJ-SUMWQHHRSA-N 442.532 2.247 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 732417408 DHNBTZFKUXHWDA-VHEBQXMUSA-N 432.502 2.051 30 10 IEEE C[C@@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)N(C)CC(=O)NC1CC1 734199272 DUOLQRTYBOEHHM-MRXNPFEDSA-N 435.480 2.420 30 10 IEEE COC(=O)c1cccc(COC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1C#N 756199906 BLDVZNFWEOTATN-AWEZNQCLSA-N 430.482 2.442 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)ccc2Br)c1=O 761270396 CRMQMILPWSMPIT-UHFFFAOYSA-N 445.313 2.317 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 775404705 HJKFKYMWMWHFAF-UAGQMJEPSA-N 447.557 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 777276060 QMKHIEFEHMMEJF-UHFFFAOYSA-N 428.533 2.228 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787765008 SQMSSVRIVQRRCI-LLVKDONJSA-N 443.319 2.269 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(Br)c2C)n1 788693923 IGXFEWKLSMJBQN-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE CCOC(=O)c1cnn(C2CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC2)c1C 796092398 GYLGRXXQWLLIBX-UHFFFAOYSA-N 434.500 2.439 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC 796096407 BUWLFJOKSCLHMB-QGZVFWFLSA-N 436.555 2.370 30 10 IEEE COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802545678 OMUFHPWVQHIZRD-UHFFFAOYSA-N 449.515 2.202 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812393568 PKYZGCBDKJJXQQ-DLBZAZTESA-N 439.541 2.090 30 10 IEEE COC[C@]1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN(C(=O)OC(C)(C)C)C1 813168781 AJKGHKUEJXKYPD-NRFANRHFSA-N 426.477 2.351 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](OC)C2CC2)c1 814708834 SXSPMZVTRPYOEV-WOJBJXKFSA-N 442.585 2.092 30 10 IEEE CN(C)S(=O)(=O)n1ccnc1C=NNc1nnc(-c2ccccc2)n1-c1ccccc1 814801589 JFPXBPPCUUGEFK-UHFFFAOYSA-N 436.501 2.231 30 10 IEEE N#Cc1cc(-c2nc(CN3C(=O)c4ccccc4S3(=O)=O)no2)cnc1C(F)(F)F 815662114 ARRAQFVOEFOINU-UHFFFAOYSA-N 435.343 2.367 30 10 IEEE CCc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(OC)c4c(c3)OCCO4)c2=O)cc1 839248560 LUXJIUQPNMUDOH-UHFFFAOYSA-N 445.500 2.268 30 10 IEEE CSc1cccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c1 916775140 IKGLTEPOJDGVAM-INIZCTEOSA-N 429.523 2.279 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)Nc2ccc(F)cc2)n[nH]1 1084168450 QDLUBBZIKVBGPI-UHFFFAOYSA-N 446.512 2.316 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1 1084347883 VDUKCKLRHYOJKY-UHFFFAOYSA-N 426.502 2.416 30 10 IEEE C=CCN(C(=O)c1cc(Br)cnc1Br)[C@@H]1CCS(=O)(=O)C1 1125954337 UKAVOOIPAZBUNK-SNVBAGLBSA-N 438.141 2.422 30 10 IEEE C#Cc1ccc([C@@H](OC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)C(F)(F)F)cc1 1128968901 SNIDIQAOMLDBOR-MRXNPFEDSA-N 431.370 2.382 30 10 IEEE C[C@@H]1Cc2cc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)ccc2N1S(C)(=O)=O 1134507677 WMMNJQRHVVTXDE-VFNWGFHPSA-N 425.510 2.483 30 10 IEEE C#CCN(C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1136354938 DPKXXQCCQSYCHS-SFHVURJKSA-N 432.542 2.176 30 10 IEEE O=C([C@@H]1CCCN(C(=O)c2ccccc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272107 AXIVDMBRYGCJIK-GOSISDBHSA-N 435.480 2.443 30 10 IEEE Cn1c(=O)[nH]c(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(C#N)c1=O 1185386673 CXNGXYTZQCMEPP-UHFFFAOYSA-N 434.431 2.291 30 10 IEEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1191155595 HQRSAFBWTWYQQW-YADHBBJMSA-N 440.569 2.155 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)C1 1230482081 WGODTGDJYSZNPF-QFIPXVFZSA-N 446.617 2.145 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1248375556 MNOHXIWDNCYIBM-FCHUYYIVSA-N 429.480 2.314 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2ccc(C(N)=O)cc2)c1 1264634440 MMRXHNCNWRJYPT-CLCOLTQESA-N 428.514 2.170 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCC(=O)N(C)C)C1 1286806760 XUUNKJGAMGSEQN-KRWDZBQOSA-N 427.505 2.324 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1286967720 FWNABSKDNZWZAX-HKUYNNGSSA-N 431.562 2.383 30 10 IEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)s1 1292663285 DUDKJSHVZBNIHL-HNNXBMFYSA-N 437.529 2.108 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1295046350 DIYXHPLALLXLHM-YESZJQIVSA-N 428.537 2.469 30 10 IEEE CN(c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1298131373 VISOBOMDLAXBEJ-IGGDJGDASA-N 442.907 2.350 30 10 IEEE C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)n1cnc(C#N)n1 1300154745 UGRWZVJBWQQKSP-TWMKSMIVSA-N 432.525 2.164 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)nn(C)c1C 1300299919 VBNRHIQGGLKULU-AWEZNQCLSA-N 440.577 2.095 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1Cl 1300671601 LSENKIMGWBOXEC-KRWDZBQOSA-N 436.965 2.162 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(=O)N(C)C)cc1 1300676868 VQNJAKXWQUIHGJ-LJQANCHMSA-N 426.521 2.357 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)CCCC)CC1 1300722984 OKPRYCXOIBJACB-HXUWFJFHSA-N 430.597 2.217 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccn2)CC1 1300769203 BSNNRPBQKCRDLG-UHFFFAOYSA-N 436.589 2.228 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)OC)CC1 1300895462 SGTVOZDVPOOBGQ-WCIQWLHISA-N 448.564 2.373 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1300952392 UAEVLKAEVZTERX-LJQANCHMSA-N 444.561 2.305 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cs1 1301206285 FCSMMGMJSXSSLN-OAQYLSRUSA-N 437.529 2.170 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CC2)C1 1301539574 TZQCGFQMUCFFFK-IEBWSBKVSA-N 445.589 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301584903 FXWQIJBAONFGFM-UHFFFAOYSA-N 449.602 2.170 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1302001358 SYDAPAIHXSAMSK-SFGWALBWSA-N 433.553 2.470 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1303950746 QFAWBHXZLFHIHW-IBGZPJMESA-N 449.559 2.213 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1306714265 BUZKPOBXPNSPFF-UHFFFAOYSA-N 434.504 2.116 30 10 IEEE O=C(c1cccn(Cc2ccccc2)c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893404 VVQOGTAJXDFQCG-UHFFFAOYSA-N 431.448 2.414 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1315900827 FJPNGWGNYIOHAB-SFHVURJKSA-N 426.521 2.116 30 10 IEEE COCCCn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316042612 PCVCMQLCBOKTBN-UHFFFAOYSA-N 425.518 2.205 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1358871764 KBKMULYAQSCAQC-SCTDSRPQSA-N 436.626 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CC(=O)N(CCOC)C1 1358974664 MWJQIRBHMQCKIY-QGZVFWFLSA-N 425.920 2.166 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359207705 UFGKRJKSNGQMRW-UHFFFAOYSA-N 438.532 2.148 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccco1 1359327318 YOYZWNBAPQUBKU-INIZCTEOSA-N 433.534 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359331688 GEMZLBJVZOZKQV-UHFFFAOYSA-N 436.500 2.430 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCOCC1 1359470123 RCTPQUJOIBRYDI-SFHVURJKSA-N 440.548 2.425 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1359848542 BKCSUBDIDGCASZ-UZUQRXQVSA-N 442.539 2.354 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 1460312020 VQZPDYCXKGSJOY-CQSZACIVSA-N 428.411 2.361 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3nn(C)cc3I)cc2C1=O 1461627674 TXWGRCRIVZNFEZ-UHFFFAOYSA-N 436.209 2.059 30 10 IEEE COC(=O)Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1F 1462755788 ANCDTTDTJCIMHX-UHFFFAOYSA-N 445.516 2.309 30 10 IEEE CN1C(=O)C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H]1c1ccc(F)c(F)c1 1462824534 HPSBIULQSPLBTB-WQFQCULDSA-N 438.434 2.278 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 1462919340 DBJWCQHSOJEUDZ-IBGZPJMESA-N 431.489 2.393 30 10 IEEE C=CC1(CC(=O)NCc2ccc(S(=O)(=O)NCC)cc2)CN(C(=O)OC(C)(C)C)C1 1465803704 WFVIGNKOYHSCOD-UHFFFAOYSA-N 437.562 2.414 30 10 IEEE C=CCCC[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OC 1471894235 YFGYUJZNYFZINT-OAHLLOKOSA-N 432.336 2.378 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1474956010 HEPGPWFRHQUNOZ-KXBFYZLASA-N 436.553 2.007 30 10 IEEE C=CCCOCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1478349964 HEWUYXMYGWIKMM-HNNXBMFYSA-N 443.285 2.066 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC(C)(C)C1 1495528094 GAKJSGXFRONEEH-MRXNPFEDSA-N 439.564 2.437 30 10 IEEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1499540555 HFWTXGSWQVJWMN-QGZVFWFLSA-N 432.550 2.047 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1CCOCC1 1503107705 ABOVEKNSQHMHMC-QGZVFWFLSA-N 440.552 2.008 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1504660400 RSHQXBJZAONRJK-KXBFYZLASA-N 438.488 2.240 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1507522592 DXBAZBDPXFCGSG-RTBURBONSA-N 440.592 2.446 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507627973 LVQKMVTXNNQUBJ-SJLPKXTDSA-N 432.546 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1507658924 RTROLQYAQDYBTO-LEWJYISDSA-N 435.528 2.150 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)c2c(C)noc2C)CC1 1507720283 UAZHWDYBWXNGHA-LPHOPBHVSA-N 430.553 2.166 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508580090 DXGFQMPQTSIGGU-ZSVKVYQISA-N 428.537 2.010 30 10 IEEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1509352609 NGEIUNZCTMLJMJ-SFHVURJKSA-N 440.548 2.458 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1509953907 MDXRRQNTPYLDGJ-JKSUJKDBSA-N 436.557 2.486 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1510288744 PPMIHXLWSFACAT-HXOBKFHXSA-N 448.506 2.348 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCc2ccco2)n1 1511692670 DWCDCIJBZOVBKY-UHFFFAOYSA-N 436.520 2.179 30 10 IEEE CCSc1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)ccn1 1516889906 YSALDDBGZOVXEE-LNLFQRSKSA-N 444.561 2.286 30 10 IEEE C#CCCOc1ccc(C(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 1524011687 YZPJMBUEAGAYBT-UHFFFAOYSA-N 429.494 2.467 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cc3ccccc3OCc3ccncc3)CC2)c1C#N 1529119806 NURUUPADIFCPTD-UHFFFAOYSA-N 430.512 2.466 30 10 IEEE Cn1c(CCC(=O)N2CC[C@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1533108297 LMLVNYKLFRZHLJ-JOCHJYFZSA-N 443.573 2.443 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)CCCN1C(=O)OC(C)(C)C 1536377365 SQEGBMMFVFTIMR-QHCPKHFHSA-N 442.516 2.286 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1539120704 YPBDLMPDQBALAQ-FQEVSTJZSA-N 441.557 2.118 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nccn1C(F)F 1539299359 IQRYWTYQSYJZBK-OAQYLSRUSA-N 432.475 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)N[C@@H](C)CC)CC1 1539480825 FINHIUOEJNLYQJ-KRWDZBQOSA-N 428.581 2.206 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539533988 WVMDJLXUFRTJPY-LJQANCHMSA-N 425.558 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539635204 GHOFLWOGZUWCEW-UQASEVPWSA-N 430.578 2.317 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C)C1 1539642003 HKTKNNZXVUOJMK-GJYPPUQNSA-N 431.562 2.476 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccco1 1540054756 VSMNYFHGUYYQER-OAQYLSRUSA-N 445.545 2.318 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1540871298 IMCFGJINFDDDKJ-PMACEKPBSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1540872721 YUGZFCAOSZADMO-UHFFFAOYSA-N 437.523 2.428 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1540874934 WQJJDIIOWBWRLK-HXUWFJFHSA-N 438.576 2.451 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1540886955 MRMJRELVOHYPMC-SJORKVTESA-N 444.923 2.368 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1541043404 BJZNHJZDBDAGDQ-UHFFFAOYSA-N 428.562 2.037 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1548280300 GLKAWEJFWMSABH-LJQANCHMSA-N 437.592 2.458 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1554207633 VZEUZBDHNZXEPD-INIZCTEOSA-N 443.458 2.286 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCC1 1555556616 FIOBQSYVEGOMKY-UHFFFAOYSA-N 436.520 2.056 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1557718564 PIQXKMSEWHOTOH-INIZCTEOSA-N 437.525 2.200 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)cc1 1562265111 RHRMVFVODRBFJR-IEBWSBKVSA-N 430.505 2.072 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)c(C#N)c2N)cc1 1587342177 WLZWFZIPUWBCHY-RUZDIDTESA-N 442.523 2.141 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nc(C(F)(F)F)cs1 1588628766 OQHXNFUIRLAYMP-UHFFFAOYSA-N 425.440 2.288 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595506633 HQZDFFSKRPEBLI-IRXDYDNUSA-N 446.914 2.287 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C 1595545337 VRMBMJONZBLPSY-ROUUACIJSA-N 438.580 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1595797999 KVNRESAXIBZHLX-UHFFFAOYSA-N 448.593 2.155 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCc1ccco1 1596807122 RVSNBFJVFPPNHH-OAHLLOKOSA-N 436.472 2.222 30 10 IEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1607956411 NHFZGFAOUFAJKL-OALUTQOASA-N 440.504 2.183 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2C[C@@H](N(C)C)C2)cc1[N+](=O)[O-] 1611307311 XOPKTUNVFFJBTF-FZNQNYSPSA-N 426.477 2.451 30 10 IEEE CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1613626655 GLLDKSYQKRMFFS-DLBZAZTESA-N 435.536 2.085 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1619854163 IARIPLCNKFULGL-QZMQVMSPSA-N 434.581 2.084 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@H](C)O)cc1 1627683532 YMQHKHMBGMUZDM-OXJNMPFZSA-N 427.526 2.090 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C)cc(C(N)=O)c1 1628028267 GKGSBEIROGAION-QGZVFWFLSA-N 428.514 2.330 30 10 IEEE C[C@@H](C(=O)OC(C)(C)C)N(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1630160507 SABOCJFNBFFDEZ-AWEZNQCLSA-N 435.546 2.227 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1630950796 MMLMMTLWPZKJNS-SJLPKXTDSA-N 449.523 2.162 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 1634714008 OENFMULZJDWWFE-STQMWFEESA-N 429.443 2.326 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1 1635494811 OBXJWNKLZAORAJ-UHFFFAOYSA-N 428.577 2.324 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1636681879 QGDKYVLAZCOKCJ-VWLOTQADSA-N 449.555 2.376 30 10 IEEE C#CCN(C(=O)Cn1nc(-c2ccccc2)oc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638327469 GAFRTPUXUAPTLV-UHFFFAOYSA-N 440.500 2.365 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] 1640825594 ZNADMQRBTLGEBI-QKKBWIMNSA-N 427.461 2.471 30 10 IEEE Cc1cc(=O)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)nn1-c1ccccc1[N+](=O)[O-] 1642540276 RAMWQAVYPGTYCH-UHFFFAOYSA-N 430.424 2.257 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(n3cc(Br)cn3)CC2)c1 1644998402 YNIWVXYWMKEAEF-UHFFFAOYSA-N 436.331 2.362 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1654478867 HKCQHKZVGRQHLN-AQNXPRMDSA-N 437.581 2.452 30 10 IEEE C#CC[C@H](COC)NC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1687208623 QRBJIRTXSGPALR-CQSZACIVSA-N 425.279 2.178 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1689943710 AAGPBQMRHSAWGZ-HXUWFJFHSA-N 445.527 2.068 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCOCC1 1690037116 MRUFUCQFKGFZQB-UHFFFAOYSA-N 426.542 2.238 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(F)ccc2F)CC1 1690146541 QDBDZQMKVSUKLJ-KRWDZBQOSA-N 443.498 2.464 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690169985 VLIGGEZTMYGIRU-IBGZPJMESA-N 427.622 2.244 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690224218 GWOHIGIVRDIVSO-OAHLLOKOSA-N 430.310 2.351 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690464477 CCHJXQGKAGXIOC-LAUBAEHRSA-N 438.594 2.311 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC(C)C)CC1 1690663570 AIDWFYHZJDRVFW-UHFFFAOYSA-N 446.983 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](O)(c3ccccc3F)C2)nnc1C(C)(C)C 1690732317 ZMEPYDMDVPEUPJ-NRFANRHFSA-N 436.553 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1705477185 KELFZCPNVRMSCA-KBPBESRZSA-N 425.942 2.079 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705535238 FVCZTJHKPPLRLB-UHFFFAOYSA-N 433.553 2.187 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1705541902 URUWOFDORZEBPM-NVXWUHKLSA-N 431.562 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCn1cc([C@@H]2CCOC2)cn1 1705599589 QLSGNCMNXCWGCH-OAQYLSRUSA-N 429.528 2.127 30 10 IEEE C#CCSCCn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705665096 JREJIPOOGAZYJQ-PGRDOPGGSA-N 434.606 2.428 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760882 VCAVBASLVJEPIQ-SFTDATJTSA-N 439.988 2.372 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1705878752 ZFTSYRONTKQMEX-CTNGQTDRSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705903362 TYELAJZOQOXSAT-UHFFFAOYSA-N 431.610 2.241 30 10 IEEE CC(C)OCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706706790 CIQHMWUYROYYBF-IBGZPJMESA-N 425.537 2.190 30 10 IEEE CS(=O)(=O)NCCn1c(N2CCC(C#N)CC2)nnc1C1(c2ccccc2)CCC1 1712713660 GCNMAUSYFIYBGL-UHFFFAOYSA-N 428.562 2.037 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCN2CC=CCC2)cc1 1712881026 UWKPVZIOOORNKC-UHFFFAOYSA-N 449.559 2.082 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1722296710 UJVGNMXBIZCXPD-HKUYNNGSSA-N 427.574 2.091 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359810 BKEUJFLPVJNXMY-LJQANCHMSA-N 444.605 2.164 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCOC1 1722394569 WZIXNAISBWBUJX-SFHVURJKSA-N 440.573 2.128 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1722399998 HOMYHLKQONWJDQ-RBBKRZOGSA-N 447.587 2.466 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@H]1C 1722400205 JQRWEUUUGJVRCA-OAQYLSRUSA-N 446.603 2.399 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC 1722505015 LPNGMWZZRJCCTG-UHFFFAOYSA-N 447.609 2.475 30 10 IEEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNS(=O)(=O)CC)CC1 1722560563 DDNHVMHNKNECJR-UHFFFAOYSA-N 441.561 2.431 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722591868 NZUBLDJQKWKDCU-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722626325 BRBGFGXBGBOWBV-LJQANCHMSA-N 427.553 2.190 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 1722713608 IFQXZXFITTVSLG-GVDBMIGSSA-N 448.568 2.314 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccco2)C1 1722729678 TYQZMQAPRONSMX-LJQANCHMSA-N 443.529 2.036 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722734986 LSKWPNPVAATLCN-HXUWFJFHSA-N 428.518 2.489 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCOC1 1722735562 PJRRVIRACILKLM-INIZCTEOSA-N 426.550 2.313 30 10 IEEE CC(C)Cc1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723279941 BGALOUPURZVOPF-BZROSYFNSA-N 428.537 2.008 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1727486455 SCFLYOJJHRRDAN-AOMKIAJQSA-N 445.568 2.410 30 10 IEEE CO[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1729874866 HSGASMLITZEKAU-PXNSSMCTSA-N 449.563 2.331 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1740566742 JRWHQRQAJRAVDE-CQSZACIVSA-N 436.969 2.303 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740583095 VFVAFGQXFPEJJV-FQEVSTJZSA-N 438.557 2.234 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2cccc(C)c2)CC1 1740695937 HQNQQJVRHFHQBX-TZIWHRDSSA-N 441.601 2.048 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCOc2cccc(OC)c2)CC1 1740696221 OLFRWKNHTAOQJO-LJQANCHMSA-N 425.533 2.015 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2nc(C)cc2C)CC1 1740698601 YKHJTRDEFCPLJU-UHFFFAOYSA-N 438.605 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)O)CC1 1740701888 FJIABZTZMXOVJB-INIZCTEOSA-N 443.523 2.294 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)NC(C)C 1740728038 JYPKYMKABUCHNC-OAQYLSRUSA-N 431.562 2.274 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)(C)C 1740749660 BNIVSIJQGFEHSK-ZFWWWQNUSA-N 444.374 2.262 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740760724 KQKMRAPLZBJBCF-LMMKCTJWSA-N 439.626 2.366 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740817983 ZVFGRCOUCKUIEB-HCXYKTFWSA-N 439.988 2.302 30 10 IEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1)C1CC1 1740906203 MMQMLHWNJAPQBS-HSZRJFAPSA-N 425.533 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OCCC)CC1 1740991659 AYSFSPZRFPAOIM-MSOLQXFVSA-N 426.583 2.168 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1741813696 VHLLHOPZQNAOPE-QAPCUYQASA-N 426.521 2.244 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCN(C)C)cc1 1748638634 SOWTZCZICYXKLC-GOSISDBHSA-N 447.543 2.372 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1748773186 UDPPECMEKPQBKR-WDSOQIARSA-N 431.562 2.126 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748808159 AIYRSDHBBFRMIA-HZPDHXFCSA-N 434.562 2.464 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748811501 IBXKNOASSCAWIV-QGZVFWFLSA-N 427.505 2.396 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1748907160 GEPMNVKGUINAJI-IAGOWNOFSA-N 449.552 2.441 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)C(=O)NCC 1748968167 CPTZHPYLMIYKFJ-QZTJIDSGSA-N 433.597 2.445 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(C)C(C)C)CC1 1748984891 VCIYRTDQVPIQDK-UHFFFAOYSA-N 426.565 2.058 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C(C)(C)O)cc2)CC1 1749019228 PTAKPANYOSTXED-UHFFFAOYSA-N 439.560 2.056 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749043518 FKYVOMKNJBLRCQ-MRXNPFEDSA-N 439.632 2.014 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749083359 DZIYLMVSCUMWRI-HIFRSBDPSA-N 444.374 2.345 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749386496 HPGZFCJNCJOEFY-QGZVFWFLSA-N 437.552 2.149 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)cc1OC 1749670001 NGFMNZZQDMOYGD-KRWDZBQOSA-N 429.521 2.128 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749730473 FVEUMMTZVHNBAY-OAQYLSRUSA-N 445.520 2.111 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1750999846 CVBQLVRGQQNUKU-UHFFFAOYSA-N 431.491 2.165 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccccc2F)C1 1751273264 CZXULFJXLHHMQT-JOCHJYFZSA-N 434.479 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1760167723 AHVKVHHRIKFIQK-RTBURBONSA-N 433.564 2.358 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1760237387 ICGSEVRNCJEWEW-UHFFFAOYSA-N 429.546 2.402 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)OC)CC1 1760263902 UDTBVJWRJCLWJO-ROUUACIJSA-N 432.569 2.140 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)C(C)=O)CC1 1760278111 YVIOVVGRWNLQTF-UHFFFAOYSA-N 441.557 2.487 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(OC)c1 1760293371 UHXNOGXDMRDVBK-HSZRJFAPSA-N 433.516 2.109 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1760347432 ZUNRBXRRWDGVHI-MRXNPFEDSA-N 427.505 2.047 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760442168 IBKRHJWVSIKZGI-IBGZPJMESA-N 426.569 2.492 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1760449225 DPPFNXFJGAFBNB-OAQYLSRUSA-N 438.576 2.453 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1760522249 OVTYQRBRHRRRNG-LJQANCHMSA-N 427.549 2.453 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 1761961764 XUNVSVKWSYCCEQ-CVEARBPZSA-N 427.509 2.291 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CCCCCCO)CC2)c1C#N 1762400334 RGUCVAMIIGNVEK-UHFFFAOYSA-N 449.563 2.133 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765449813 HNHMPRZJJAEOOJ-WMZHIEFXSA-N 439.564 2.316 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1768936429 SRHJANYMSXMTTP-KRWDZBQOSA-N 428.537 2.232 30 10 IEEE COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1OC 1770211877 FFVBINHPWUZGMR-OAQYLSRUSA-N 441.467 2.195 30 10 IEEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)cc1 1771234876 YAHXUDGGBALYQS-IBGZPJMESA-N 438.532 2.433 30 10 IEEE Cn1cnc2c1CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772794268 GALUVGCOFFUZQF-INIZCTEOSA-N 426.429 2.009 30 10 IEEE COc1cc2nc(CN3CCC(C(=O)N4CCC(C#N)CC4)CC3)nc(O)c2cc1OC 1849545521 NVRPUVBETXRJRY-UHFFFAOYSA-N 439.516 2.327 30 10 IEEE N#Cc1cncnc1NC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 1851670556 ZSPNOWGBTOBNAC-UHFFFAOYSA-N 425.452 2.337 30 10 IEEE C=CCN1CC[C@H](N2CCN(C(=O)CCc3ccc(Br)s3)C(=O)C2)C1 1853633226 UZXJBJYHXNXUIL-AWEZNQCLSA-N 426.380 2.374 30 10 IEEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)C2)CC1 1853846396 BYMKSJSLHYTADO-ROUUACIJSA-N 430.574 2.170 30 10 IEEE Cc1ccnc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1=O 1854520014 LQIWXAONAWHDIH-UHFFFAOYSA-N 426.498 2.022 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3C[C@H](CN(C)CCC#N)CCC3=O)nc12 1855474057 OZKBLGVIIKUHFN-HNNXBMFYSA-N 429.546 2.352 30 10 IEEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2)CC1 1855603824 KFURRQBMQKJARA-QZTJIDSGSA-N 430.574 2.314 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)c(C)cc1Cl 1856322227 NZLRCOYNHUCHJS-AWEZNQCLSA-N 446.916 2.285 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CCCC[C@H](N(C)CCC#N)C3=O)nc12 1856388505 DJCRWOMPWUKAGI-HNNXBMFYSA-N 429.546 2.494 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc4c(c3)CCCC4)C2)CC1 1857042433 YHBSSAODLANXMO-FQEVSTJZSA-N 429.542 2.119 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862695796 ITWIDMFQTMLXRG-BFUOFWGJSA-N 425.437 2.441 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866730422 VORSCSQEAQEQOB-WOJBJXKFSA-N 435.480 2.329 30 10 IEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(OC)c(OC)c1 1869934138 ZSHFNQCTFJLJLV-QGZVFWFLSA-N 445.541 2.270 30 10 IEEE C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872597575 WRXVHXMKANAWIT-QGZVFWFLSA-N 428.470 2.268 30 10 IEEE Cc1noc(CCCNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)n1 1892092872 PMBLJBZIMHRVJY-WOJBJXKFSA-N 427.530 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 1902435742 OKKPVGLPRASZDT-RBUKOAKNSA-N 436.574 2.395 30 10 IEEE C[C@H](NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 1918687136 LBHCLEJTWDWKNY-INIZCTEOSA-N 432.370 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1962849096 RSUZIDFJSUQSKZ-PMACEKPBSA-N 428.533 2.106 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(=NCc2occc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2014188317 LKAZGPFIQXRPEZ-UHFFFAOYSA-N 436.343 2.489 30 10 IEEE C#CCCN1CC[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2024566010 NCBYQYMUJFICDJ-OAQYLSRUSA-N 428.577 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060636247 VVDAFJBEABADDC-ZNFSNMQZSA-N 436.358 2.155 30 10 IEEE COc1nc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2116137664 BEOQYZIMODCIFZ-OALUTQOASA-N 436.365 2.353 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(C#N)c(Br)c1 2141244567 PWOTZEUCHLIAHQ-ZDUSSCGKSA-N 425.283 2.418 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247835895 SDDCIUWWCLSTQG-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE C=C(CS(=O)(=O)NC[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247960889 ABZVQIVVOLXXIO-MGPUTAFESA-N 442.387 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2255628931 ORRKOECMYXAWAW-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE COc1ccc(S(=O)(=O)N(CCN)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255953428 IQNDYAJJIZMZQJ-UHFFFAOYSA-N 446.378 2.144 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255953530 KDJZHMRAXKJXIE-HNNXBMFYSA-N 432.326 2.431 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]12 2256620530 JSJBMFCAHXAMSG-QTCYRWPVSA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267090452 DBNPAUMDARKLGE-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2267191221 ZGGLRADZAOSNPB-GOEBONIOSA-N 448.373 2.143 30 10 IEEE Cc1c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267530083 UYQNWUQQJUWMHX-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267552779 VXBUSEAJUOVFEJ-CABCVRRESA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315644650 OAFNYONNHGEVLV-UMVBOHGHSA-N 449.382 2.428 30 10 IEEE COc1cc(OC)c(OC)cc1C=Nn1cnnc1SCC(=O)Nc1nccs1 2321270469 CVVDWIPYYDHOQA-UHFFFAOYSA-N 434.503 2.373 30 10 IEEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccccc2[N+](=O)[O-])n1N 59884634 PJJDQNMTDNREAR-KEBDBYFISA-N 442.461 2.086 30 10 IEEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(OC)c(C)c1OC)CC2 72150422 YRKDFQHTSDNSOX-SFHVURJKSA-N 432.517 2.486 30 10 IEEE COc1cc(/C=N\N2CCOCC2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 96695938 PYJQSMBCLULTBZ-MOSHPQCFSA-N 435.458 2.346 30 10 IEEE O=C(O)[C@H](CCS)NS(=O)(=O)c1cc(Br)sc1Br 305936857 KSMYXKCKJUFLPR-BYPYZUCNSA-N 439.172 2.325 30 10 IEEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(C4CCC4)c3=O)cc2s1 430989754 AYFIRLDXRUTIES-UHFFFAOYSA-N 436.562 2.335 30 10 IEEE CCO[C@@H]1C[C@](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)(C(=O)OC)C1(C)C 444768507 UDNMTJMYFRLCKU-VGSWGCGISA-N 425.489 2.019 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 460557492 VCJSOWZKZJRJLA-RBUKOAKNSA-N 431.562 2.311 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 472580340 CYWCYVJCLBMCMJ-SFHVURJKSA-N 431.489 2.319 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(C#N)cs2)c1=O 481978346 PXFHOSBRPOCSBS-UHFFFAOYSA-N 433.514 2.424 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2c[nH]c3ccccc23)CC1 503522866 CBFUJYDDTUNYJH-UHFFFAOYSA-N 437.525 2.298 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 506906874 DBCJJYRPCQKNLK-CYBMUJFWSA-N 443.451 2.101 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COc2ccc(C)cc2)CC1 508478463 RWAUIOSPOKSLDJ-UHFFFAOYSA-N 432.528 2.486 30 10 IEEE Cc1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCCCC1 533125241 UGNOJWBKWOSMLR-OAHLLOKOSA-N 425.576 2.482 30 10 IEEE CN(CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)S(=O)(=O)c1cccnc1 543908023 GAWAFWKIRCFVPG-UHFFFAOYSA-N 430.877 2.052 30 10 IEEE C=CCn1c(Cc2noc(-c3ccnc(N4CC[C@@H](C)C4)c3)n2)nnc1N1CCOCC1 545639963 MBYAAJZAPDUKFS-MRXNPFEDSA-N 436.520 2.183 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCO3)CC2)n1 549482696 NFIQKVHEDMJRPB-LJQANCHMSA-N 446.515 2.121 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 549692949 YKCKTSIKRJFYKU-LAUBAEHRSA-N 436.560 2.320 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4COCCO4)n3Cc3ccccc3)CC2)c1 558903634 FGOOHVBHMMQXDB-HXUWFJFHSA-N 431.500 2.008 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 564157410 PZNKRWUWEZDKNQ-UHFFFAOYSA-N 448.567 2.286 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1-c1ccccc1C 580611928 RKSHHODHBPJYAQ-UHFFFAOYSA-N 446.557 2.375 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c(F)c1 586858621 JHEOTEQHXKIHPJ-UHFFFAOYSA-N 444.894 2.190 30 10 IEEE CSc1nc(O)c(C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1C#N 609393370 OHADBQYVYPBZAH-MRXNPFEDSA-N 439.541 2.008 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 610808929 HAKYGMQIMSWSEC-GUYCJALGSA-N 429.502 2.239 30 10 IEEE N#CCCNC(=O)c1cc(I)cc(I)c1O 701288791 KPYCQUAVORBAKR-UHFFFAOYSA-N 441.994 2.245 30 10 IEEE CCCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 726179797 POVYSHQVUIAIJP-UHFFFAOYSA-N 435.553 2.409 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)CC(=O)N2C)cc1 734916769 GEQFHCOZLCUDGF-XFQXTVEOSA-N 427.501 2.489 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1 741712820 XSOMILNWCAOTAC-XLIONFOSSA-N 431.583 2.473 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 744780629 JPGAXSFUCGWJMA-CVEARBPZSA-N 426.560 2.424 30 10 IEEE CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 744841086 SYGHSJKCINJIKU-LPHOPBHVSA-N 431.489 2.194 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(OC)c(C#N)c1 747446814 ILZDIHQYSJBWIO-SFHVURJKSA-N 440.525 2.481 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 754348962 ITPJSWCWYRCGBT-UHFFFAOYSA-N 441.509 2.411 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)[C@@H](C#N)C1 757898835 SGUCTAIDZYFBRN-LBPRGKRZSA-N 425.898 2.121 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)C1 760294862 BILGADXRADWJOU-SJLPKXTDSA-N 443.573 2.399 30 10 IEEE CS(=O)(=O)c1cccc([C@@H](NCCN/C(O)=C2\N=CC=CC2=O)c2ccc(F)cc2)c1 779103142 FRAGYSILNCDXGB-VSRNGQBXSA-N 443.500 2.435 30 10 IEEE CC[C@@H]1C[C@H](C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 779758934 WVIZJIRUPZUTBL-GDBMZVCRSA-N 426.495 2.219 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)cc1 780922463 RKLJUBPMJLDSHA-GHTZIAJQSA-N 427.526 2.117 30 10 IEEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783423611 RCTAELJVNKXLNY-IBGZPJMESA-N 433.468 2.349 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCC#N)C1=O 784126061 UAHMEQNGNQVZNJ-SFHVURJKSA-N 426.546 2.252 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)c(Br)c2)n1 788693413 BOQJNJLDJKXMIO-UHFFFAOYSA-N 430.299 2.255 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@H]3CCOC3)c2=O)cn1 794643229 PKAVXOPWDFEHII-MRXNPFEDSA-N 442.585 2.061 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCOc2c(Br)cccc21 800707830 WAMQSAKSTYGXAC-SXXBIRCQSA-N 435.278 2.098 30 10 IEEE CC(C)N1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](c2cnn(C)c2)C1 849481903 OMKXOVFLLNNVNX-RPWUZVMVSA-N 434.588 2.450 30 10 IEEE Cn1c(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)nc2c1c(O)nc(=O)n2C 920374253 VPQRKFYGUDNWPR-UHFFFAOYSA-N 441.455 2.066 30 10 IEEE CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@H]1OCC#N 1084293202 DJVDRQLVXOHILZ-MWIVGIEESA-N 438.480 2.456 30 10 IEEE C[C@@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)OCCc2ccccc21 1133091196 JAABBIBURINSQV-YKSBVNFPSA-N 432.480 2.368 30 10 IEEE CN1CCn2nc(C(=O)N3/C(=N\Cc4ccccc4)SCC3(C)C)cc2S1(=O)=O 1264022318 ZYYOFOOUAMPKIY-CZIZESTLSA-N 433.559 2.041 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1286363232 LNQKGVRFERGTLN-XUZZJYLKSA-N 439.560 2.073 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286397040 RFDFVUHVHYCCQT-PWIZWCRZSA-N 444.605 2.203 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCCc2ccccc2)CC1 1286482136 MKRLNBMXUVUPEE-UHFFFAOYSA-N 448.596 2.045 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1286500474 UJYGUEAJULXNHI-UHFFFAOYSA-N 443.573 2.387 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)OC)C1 1286536070 NAZOUABKJMSYRW-ZIAGYGMSSA-N 431.331 2.300 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286613109 QTSRADLAZGNERN-DENIHFKCSA-N 430.553 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](OC)C(F)(F)F)C1 1286798549 LFFSPHKNPFAMAG-CABCVRRESA-N 431.459 2.263 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccc(F)cc2)C1 1286799650 YISSMDCBJBCCGZ-GCJKJVERSA-N 431.512 2.244 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 1287988990 PDMJDLJNXVKTEI-UHFFFAOYSA-N 445.497 2.049 30 10 IEEE CC1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1289032342 LBADFDDIFYWCIK-ZPHPHTNESA-N 439.545 2.198 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)c1 1290076960 FFAVOYBWMJCWQK-GOSISDBHSA-N 427.896 2.444 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 1290699419 OPKRKRATTNVKSL-LJQANCHMSA-N 429.517 2.286 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cnnn1 1291600440 PQZMITFCNGZHTJ-INIZCTEOSA-N 438.515 2.206 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1292132381 ARTOALPNDKQBNG-UYAOXDASSA-N 445.612 2.293 30 10 IEEE CCc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1292526282 FLSSDGPVFGHZPZ-JDAKFOBDSA-N 436.516 2.259 30 10 IEEE CCNC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1296315609 DVEGGIMPSLRTML-UHFFFAOYSA-N 437.479 2.372 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 1300466098 UJSSVWKMHLYKNF-LJQANCHMSA-N 441.532 2.197 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300769468 HFCFKMZCSBDPOY-OAHLLOKOSA-N 428.484 2.274 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1300896698 IHIBSMVWARXNEP-KKSFZXQISA-N 429.496 2.256 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1300999503 DIGSQRXZRSRZTG-LJQANCHMSA-N 436.516 2.132 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CC1 1301086761 OWPBIMCKZAAVAP-GOSISDBHSA-N 435.594 2.129 30 10 IEEE C=CCN(c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1301324095 SNVIFLIYPWYWEF-UHFFFAOYSA-N 426.546 2.395 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1 1301695886 HSFNWRIVNCVHNL-UHFFFAOYSA-N 449.559 2.278 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@H]2CCOC2)cc1 1302990024 VMWBQBGWXBCHAL-MRXNPFEDSA-N 439.438 2.231 30 10 IEEE N#Cc1ccc(Cn2c(-c3cccnc3)nnc2N(CCO)CCOCC(F)(F)F)o1 1302991732 MMOJYWGKQAETCE-UHFFFAOYSA-N 436.394 2.231 30 10 IEEE CC1(C)SCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1303981503 KEBURYIOZBHDTM-LBTNJELSSA-N 427.571 2.154 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)CN1C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc31)C2 1304491006 UHOMJCOXHSSUAE-UHFFFAOYSA-N 433.396 2.133 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCN1CCOC 1306620909 KTRRPRNGEOQLGN-SFHVURJKSA-N 438.536 2.129 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)C1 1309843851 MIMZZPBFQTUUMA-OAHLLOKOSA-N 443.363 2.310 30 10 IEEE C#CCC1(NC(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)CCOCC1 1310781615 JDLJHIGZQLQRMF-UHFFFAOYSA-N 435.427 2.382 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCc1cccc(C(=O)NC)c1 1358995813 GVMUWRAZLULEPE-UHFFFAOYSA-N 426.524 2.329 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@]1(C)CN(C2CC2)C1=O 1358998126 RAOQZJHISZRLFH-XMMPIXPASA-N 435.503 2.470 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1359054702 DLNPIEBIPOMBQN-UHFFFAOYSA-N 431.529 2.319 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359129843 PCKZVZFHFGNMEZ-QGZVFWFLSA-N 443.504 2.196 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1359238407 KBKKKUXYWNEBRY-UHFFFAOYSA-N 426.431 2.454 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359298375 XQCWFBAQOREZFD-HNNXBMFYSA-N 439.907 2.348 30 10 IEEE CCNC(=O)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1440703575 BJSMOABDCTXPFY-LJQANCHMSA-N 441.532 2.266 30 10 IEEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1452945770 DERQIUPEHKERPE-GOSISDBHSA-N 431.439 2.309 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 1455116307 XNWBIVHLYVTFMI-HXUWFJFHSA-N 447.557 2.271 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1455758449 MQSCNMHDJDROGE-SBUREZEXSA-N 443.548 2.369 30 10 IEEE CCc1ccc(CC)c(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1 1459213483 ZMWKBZMYDNASDK-UHFFFAOYSA-N 425.485 2.231 30 10 IEEE CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1468452620 JEIMXFMHTONHSU-QGZVFWFLSA-N 437.905 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(C)(C)C1 1471457796 OSZVKHZZNPRSDN-KRWDZBQOSA-N 428.537 2.430 30 10 IEEE C#CC[C@@]1(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1471764368 GXCUSCGOOMSFQH-QFIPXVFZSA-N 432.521 2.113 30 10 IEEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1492905403 VLNMMHHQAGCUBY-HXUWFJFHSA-N 445.518 2.141 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1495772819 GJHXXYMKCPUVDM-YSIASYRMSA-N 439.564 2.436 30 10 IEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC=C(C)C)CC1 1504536392 AFCBOANPEQIJDP-UHFFFAOYSA-N 438.532 2.380 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507633342 CVAFHAJCMFXLLA-GOSISDBHSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCSC(C)C 1507649126 YNPREEUMEXSAIX-UHFFFAOYSA-N 430.603 2.453 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507731665 OBEOADGZVMFVDV-OALUTQOASA-N 446.596 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCCC)CC1 1507735066 JDDQTNALDMRCCX-UHFFFAOYSA-N 442.951 2.091 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1507767888 IZROJLUPJLLESB-HXUWFJFHSA-N 432.550 2.035 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1507939959 UUFJFMRSBUIUAU-CALCHBBNSA-N 448.593 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1508079603 AEPAIZJLGOSYNT-KRWDZBQOSA-N 437.479 2.224 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1508139380 FZWFRJJERAOGBB-IRXDYDNUSA-N 438.623 2.390 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(C)(C)C)CC1 1508140586 IXNXSBBEIXSJJY-QGZVFWFLSA-N 425.599 2.041 30 10 IEEE CC(C)NC1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1509777166 LCWIKLXSTSXYNU-MRCUWXFGSA-N 443.596 2.360 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N(C)C 1509951288 GGCJFWFAKRLJLO-HNNXBMFYSA-N 443.533 2.230 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCS(=O)(=O)CC1CC1 1511885543 HORPOZSQSHJTFR-UHFFFAOYSA-N 448.980 2.263 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@@H]1C 1519162412 FXNZCVYJGDZODA-HKUYNNGSSA-N 437.548 2.047 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCc2ccco2)C1 1521064097 YKTCAABTHFFWAH-LJQANCHMSA-N 429.843 2.345 30 10 IEEE COc1ncc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1C#N 1538154713 CFGRDEWRYCNORK-UHFFFAOYSA-N 436.440 2.279 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1538965479 PCRXRBKCGQUCPT-KRWDZBQOSA-N 443.573 2.430 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539067545 HPECHTGEISHVQY-IBGZPJMESA-N 437.592 2.489 30 10 IEEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539081517 BOZYVNRMUYDALA-HXUWFJFHSA-N 425.533 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(CC)C(C)C 1539264974 AZNKADPKHHNAEU-UHFFFAOYSA-N 434.592 2.255 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539515034 WJDHTMNCHWHQNM-KRWDZBQOSA-N 429.546 2.442 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539620511 LUWBGLKJVYZCOA-UYAOXDASSA-N 427.553 2.391 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)F)CC1 1539873769 DCXSPUUGKUZBOR-FQEVSTJZSA-N 427.496 2.102 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1540857515 CGDQRBDXHJAVCV-IBGZPJMESA-N 425.533 2.258 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1540870073 DTHBFUYHRSLUMT-SJORKVTESA-N 444.511 2.056 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)C)C2)CC1 1541003919 WPSINPXEORHGFB-JOCHJYFZSA-N 435.576 2.463 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1541233546 MWMNXZIGYCNCCT-JPZYQRIQSA-N 440.573 2.080 30 10 IEEE COCCNC(=O)[C@H]1CN(C(=O)C2CCC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367643 BYISQEODXZLXES-GOSISDBHSA-N 438.450 2.157 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1555985049 HEEFYOHTPXKSMV-UGSOOPFHSA-N 438.916 2.260 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC 1564957841 DPFAZQIELNYWQS-KEYYUXOJSA-N 427.339 2.499 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1567229257 FVHZYHZRQUMHBV-OAHLLOKOSA-N 429.498 2.102 30 10 IEEE C#CCN(C)CCCNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1569839254 IZDOPRHIPLAEBI-AWEZNQCLSA-N 440.495 2.083 30 10 IEEE N#Cc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1584397147 BXJZCARYOVFCCZ-UHFFFAOYSA-N 443.525 2.137 30 10 IEEE Cc1ccc(C(=O)Nc2ccc3nc(O)n(C4CC4)c3c2)cc1S(=O)(=O)NCC#N 1588160167 QNMNORCJDZRDDZ-UHFFFAOYSA-N 425.470 2.439 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1588791224 PICYBPVHANTLIH-UHFFFAOYSA-N 435.620 2.035 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2c(C)nn(C)c2C)CC1 1588871545 HLRINZLCGZUQGC-UHFFFAOYSA-N 449.559 2.020 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1589171517 IKKIPSVZCNFNBI-FNVCAUGXSA-N 426.517 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1589216794 XSHHXHWZBFVQJI-XQBPLPMBSA-N 433.622 2.437 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1594813057 NJRHSRIPPADEDF-ZWKOTPCHSA-N 426.583 2.168 30 10 IEEE COc1cccc([S@](=O)CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 1596420414 QNOPGGZSJCERGF-SPTNWLSLSA-N 449.554 2.254 30 10 IEEE CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1597855591 ROYNEHPURBOVOZ-UHFFFAOYSA-N 434.548 2.464 30 10 IEEE C[C@]1(C#N)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)CCO1 1598178250 LVXTWZGRAKRFQG-UTKZUKDTSA-N 445.520 2.496 30 10 IEEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)cc1O 1602767079 GWDQEQRQFRJKPK-MRXNPFEDSA-N 447.232 2.182 30 10 IEEE C[C@]1(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CC2)NC(=O)NC1=O 1611799432 PTQSFFPUNYCEMA-LJQANCHMSA-N 447.421 2.194 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CC(C)(C)N2CCOCC2)n1 1612495765 BUFAJAQRVJHBNE-HSZRJFAPSA-N 440.596 2.381 30 10 IEEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1618487452 DQKXKMLXXOAGRR-QHCPKHFHSA-N 436.539 2.285 30 10 IEEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 1618786485 RQNMFHDKOYCOIQ-UHFFFAOYSA-N 434.342 2.312 30 10 IEEE COc1ccc(CCc2nnc(N(C)[C@H](C)CC#N)n2Cc2cn(C3COC3)nn2)cc1 1619229218 LIPNRRWWRSRUTG-MRXNPFEDSA-N 436.520 2.021 30 10 IEEE COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1619602333 DZPFJDLVKCYWFN-HKBOAZHASA-N 441.532 2.283 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1620437271 WSSFMBFWMLDXKN-HNNXBMFYSA-N 432.571 2.397 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 1624017869 CLMSJFZWGQGMAH-HRAATJIYSA-N 427.526 2.025 30 10 IEEE C#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cc1 1625078475 ZNZOEFNMPANMEI-GOSISDBHSA-N 436.327 2.248 30 10 IEEE CN(CCCNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)CC(F)(F)F 1625636941 GHDDSDLDMGMDRS-UHFFFAOYSA-N 426.308 2.446 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CCN3C(=O)OC(C)(C)C)cc1 1626788076 JZORXXGWZLQQCP-UHFFFAOYSA-N 447.557 2.214 30 10 IEEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(Cl)c1Cl 1627242224 CYMDJWGHKNQXTH-CABCVRRESA-N 437.258 2.487 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 1627843193 NMBKSJPAEWXUAN-QGZVFWFLSA-N 431.489 2.225 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 1628239235 OPOPDOQUEYNFMF-MSOLQXFVSA-N 434.606 2.460 30 10 IEEE CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1630507731 QZFZYYJMANGOCK-UHFFFAOYSA-N 425.463 2.137 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1630721095 VKXLIJVRYKANCK-XHSDSOJGSA-N 427.542 2.332 30 10 IEEE CC[C@H](C#N)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1633493162 TYTHGBZEMQVLAF-GFCCVEGCSA-N 427.299 2.167 30 10 IEEE CC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCc1cccs1 1634918208 BROIECDCDFUHOO-RTBURBONSA-N 439.541 2.115 30 10 IEEE CCS(=O)(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1635559916 MFTUVBAOOYWWDG-TZQQIIETSA-N 439.578 2.199 30 10 IEEE C#Cc1ccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)cc1 1635841543 WBJRAXJMQWXMNV-UHFFFAOYSA-N 429.221 2.178 30 10 IEEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1636391807 XUUZQFQBLJDWJT-SJCJKPOMSA-N 441.431 2.251 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1)c1ccc(Br)cc1 1636561602 DIGQPOQOVMWWMQ-CZUORRHYSA-N 428.352 2.094 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1637004787 PBUJXNSZMRGKFI-NRFANRHFSA-N 430.574 2.250 30 10 IEEE COc1ccc(CN2CC[C@@H]2C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc1 1638640264 BBDOETDCZMVDLK-QGZVFWFLSA-N 445.317 2.453 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1638715400 XHEHWLPNIPVIOT-KUHUBIRLSA-N 430.505 2.482 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)c3cccc(OC)c3)CC2)c1 1643043645 QJLFJYJABQNRLB-QFIPXVFZSA-N 442.537 2.193 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)O1 1648155570 LZFBDPAXNBKQGF-AUSIDOKSSA-N 440.569 2.092 30 10 IEEE C#CCCCCNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1662817119 LDHMCVAUVLXAGK-UHFFFAOYSA-N 435.283 2.468 30 10 IEEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)nn1 1669875072 DMBJMGLDRIRFFI-UHFFFAOYSA-N 443.323 2.190 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccc(Br)cc1 1674025477 GCMVLKFSMNQXMK-GOSISDBHSA-N 434.334 2.404 30 10 IEEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)NCc1nc(C#N)cs1 1676392425 FVCFCQZYZMMURX-NSHDSACASA-N 439.335 2.436 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc2)CC1 1684969976 ACWNOIRTGATALT-UHFFFAOYSA-N 436.535 2.481 30 10 IEEE Cn1cc([C@]2(CNC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)CCCO2)cn1 1685569837 NAJZCSUYTRVVIL-HSZRJFAPSA-N 436.516 2.358 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1689824204 JXUMYUTWAHUFOQ-GOSISDBHSA-N 438.576 2.131 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1689901303 IJZYNNFZIMRSOU-UHFFFAOYSA-N 425.581 2.244 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1690003683 UTLQBOVRYMMIKJ-RUZDIDTESA-N 449.555 2.130 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCN(C(C)C)CC1 1690105219 XTYSBDVYEQBEQX-UHFFFAOYSA-N 443.567 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1690253165 NJAHYMNWHFBACG-LQWHRVPQSA-N 425.533 2.458 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1690484891 GQGXDQGPFMSOAD-IAGOWNOFSA-N 432.525 2.281 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1690581576 USENTYJHTPZECK-HSALFYBXSA-N 430.597 2.148 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1690671142 PNAMANVUUQFPAI-RTBURBONSA-N 443.573 2.132 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690683876 YGVIQTBSTSGOFR-MSOLQXFVSA-N 432.546 2.018 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1690715535 NSSSDCNIZWQEPE-IRXDYDNUSA-N 447.609 2.314 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1693837867 IXQXELVVHZZKLW-AEFFLSMTSA-N 445.955 2.223 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C[C@@H]1C 1697075412 SMLUKIKGEQHVQM-HNNXBMFYSA-N 434.504 2.184 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](F)(C#N)C1 1698303904 BERSTZPICCZXPB-GOSISDBHSA-N 443.451 2.423 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CCO1 1698492965 MBCMNKINHHMUAQ-RBUKOAKNSA-N 447.923 2.435 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(O)c1 1705630161 IOLCSYZCKAIFHP-UHFFFAOYSA-N 425.514 2.110 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705659257 PXAWEYANRQTLCT-FXAWDEMLSA-N 426.590 2.172 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705831642 YMNHOFUIBZETJJ-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C)C1CC1 1705849840 YAYNQGRWXDKXKU-INIZCTEOSA-N 446.577 2.299 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705895170 WFFNNJPBEZKTLS-MJGOQNOKSA-N 440.548 2.453 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705895488 IIIVNJJLGDCTIF-UKRRQHHQSA-N 448.369 2.011 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1705935355 OPOWLNCMSCDZSV-UHFFFAOYSA-N 449.577 2.050 30 10 IEEE CC(C)(C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706104033 OCZYRDNJRVSXSS-RUNIHZNKSA-N 442.564 2.233 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1706750166 LKEXZVLSBAYDER-OAHLLOKOSA-N 429.550 2.028 30 10 IEEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)s1 1707845385 RCCMGPDMSGYLOA-DNVCBOLYSA-N 449.606 2.103 30 10 IEEE Cc1nnc(N(C)CCOc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1707868254 OPIVOEIIFVPTDL-HNENSFHCSA-N 430.896 2.282 30 10 IEEE CCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1710251549 HIHNWUYVIQVWQN-UEXGIBASSA-N 434.610 2.185 30 10 IEEE COc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1711851651 HXVZAHGIMMCTOR-IBGZPJMESA-N 434.500 2.253 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1712129999 DPNCWEUVKDYJJZ-INIZCTEOSA-N 446.577 2.218 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1712168089 XNLHTTVVKCEKFW-PMACEKPBSA-N 439.495 2.212 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCCOCC(F)F)cc1 1712879974 SQDCVGRUEPJCQK-KRWDZBQOSA-N 430.459 2.300 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(C)c1 1722285054 SECVBFCCFKPXSA-QGZVFWFLSA-N 431.500 2.122 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1722363647 AYGDXFQEURQEKO-LNLFQRSKSA-N 431.537 2.029 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722368685 UWDYULQAENJWAX-ICSRJNTNSA-N 446.548 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(F)F)c(F)c1 1722371680 ZTYMTVIVTIPRKG-UHFFFAOYSA-N 431.418 2.376 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](OC)C1CC1 1722380575 QJSRJYMDPPPIHU-FQEVSTJZSA-N 430.512 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1COCCO1 1722387085 RSNWSLFVUKVGOI-SFHVURJKSA-N 445.317 2.108 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CC1(N2CCOCC2)CC(OCC)C1 1722395479 FQCKKFHUQRROTD-UHFFFAOYSA-N 436.560 2.006 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1722461641 TUJVBXGCFDEGPE-SFHVURJKSA-N 427.574 2.206 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722603568 YAMJTJVECVXNNX-NQIIRXRSSA-N 438.580 2.080 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CC(F)(F)C1 1722702055 JGNIPKFGZNMFFM-UHFFFAOYSA-N 438.504 2.053 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2COc3ccccc3O2)C1 1722708710 BYJNBCYTADUNIA-IAGOWNOFSA-N 427.505 2.038 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(CN2CCCC2=O)cc1 1722861094 BPDJOORXHHBXOS-QGZVFWFLSA-N 437.548 2.183 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1727390852 CGNCZHJJNOBVLP-HZSHHLKBSA-N 436.516 2.259 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)C[C@@H]1O 1731136346 HXDWVHNXCDLWGU-COPCDDAFSA-N 438.576 2.261 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740542614 AJVACFCKHWLZDG-RXVVDRJESA-N 438.576 2.354 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1740548828 INUBUSMRMCTTNS-AWEZNQCLSA-N 431.504 2.447 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1740551426 UOJXABXOWYBKTK-LAUBAEHRSA-N 425.533 2.095 30 10 IEEE C#CCCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740590109 AIVYPINPLLDMAD-UHFFFAOYSA-N 436.607 2.166 30 10 IEEE C#CCCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740596492 GZKQNPISHLZNGG-GOTSBHOMSA-N 442.564 2.218 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN(C)CCOC 1740609037 GWTKFECTECSPDL-UHFFFAOYSA-N 448.612 2.430 30 10 IEEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1740638045 HNZQDXWBBPCMFS-UHFFFAOYSA-N 438.557 2.171 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1740670681 TYURFEFFBIULKI-SFHVURJKSA-N 438.580 2.216 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@@H]1C 1740762257 SDHQFDHONWLEBI-TZNCUMHOSA-N 440.635 2.492 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1740788438 SRXHGGWENFAGRO-QGZVFWFLSA-N 425.541 2.149 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740791204 XTHPTENVAZRVJN-QGZVFWFLSA-N 426.521 2.102 30 10 IEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1740793262 QHGOCQVPXOYDBQ-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740953584 LECSNEYCSPQWBL-ZIAGYGMSSA-N 449.353 2.201 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748667423 UCNBAZPTNMRNCH-ZACQAIPSSA-N 442.564 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC=C)cc1 1748892605 SMBUAHYVSVKYHU-FQEVSTJZSA-N 438.553 2.256 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749449327 LEOAMLLATQTLQH-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1749579336 MEXSWSKIZGIHKL-UHFFFAOYSA-N 430.553 2.446 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749667489 ZFFHUDMVIDHXQI-UHFFFAOYSA-N 436.495 2.499 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cncn2)C1 1749696732 WUXFRCVRAKECMM-HNNXBMFYSA-N 447.341 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC)CC1 1749721795 UGALHAIOKOKEEJ-UHFFFAOYSA-N 432.550 2.153 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1750199613 VZJTTXPXUQNREA-OALUTQOASA-N 429.546 2.399 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760143604 LKULXLCQNPOZFL-ZJOUEHCJSA-N 429.565 2.397 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCCC[C@H]2C)CC1 1760252963 ZHFGYOHNIBQCQP-HXUWFJFHSA-N 443.640 2.216 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1760529026 UMWLXGJPKAACCM-GOSISDBHSA-N 436.560 2.013 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1761364200 MLFXVMJKTKHMSF-WBVHZDCISA-N 434.504 2.008 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCc1ccco1 1763756287 SFTZATUXOTYPLK-KRWDZBQOSA-N 448.531 2.294 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](OC)C2)c1=O 1765345010 IBVZHLZGAKFQOB-FQEVSTJZSA-N 434.500 2.184 30 10 IEEE CCN(CC1CCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766806687 MVJXIXNXHRROQG-DPPKGPFUSA-N 428.537 2.325 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C#N)o1 1767634639 MIVJXKNLKQBEQR-SFHVURJKSA-N 434.456 2.498 30 10 IEEE COCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1769668313 XGJZSVUCXXYVLK-OAQYLSRUSA-N 425.468 2.061 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2OCC[C@H]2C)cc(OC)c1OC 1769827045 IFZGOCXXCWCYKF-IDHHARJASA-N 443.504 2.125 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1770803258 RNUWIQLEMOAXAF-QZTJIDSGSA-N 440.483 2.146 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCOCC(F)F)cc1 1771534503 DCIZLFMBBWMRTB-HZPDHXFCSA-N 449.414 2.125 30 10 IEEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@H]1CCN(C)C1=O 1848983942 ZBMXVDVIHGNONE-VQTJNVASSA-N 447.601 2.319 30 10 IEEE CCS(=O)(=O)c1ccc2c(c1)N(C(=O)CN(CCC#N)Cc1cccnc1)CCO2 1851116575 NGUIOPDDKYREKI-UHFFFAOYSA-N 428.514 2.016 30 10 IEEE Cc1ccccc1-n1nncc1CN1CCN(CC(=O)Nc2ccc(CC#N)cc2)CC1 1851916075 JKCGMOSFZWERDB-UHFFFAOYSA-N 429.528 2.398 30 10 IEEE CN1C(=O)CC[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)[C@H]1c1ccccc1 1852086767 ZKZOFLGINXSUER-CZUORRHYSA-N 431.436 2.467 30 10 IEEE N#Cc1ncc(C(=O)N(CCN2CCCCC2)Cc2cn(Cc3ccccc3)nn2)cn1 1853584382 IFTORQPNIXOMFB-UHFFFAOYSA-N 430.516 2.116 30 10 IEEE Cc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854636345 DNHRPSPHECMFHX-QGZVFWFLSA-N 425.510 2.248 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)cc(OC)c2)cc1 1859009536 TWYZUWQGBBBQEG-UHFFFAOYSA-N 448.497 2.277 30 10 IEEE COc1ccc([C@@H](C(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OC 1866993327 YLZBKORARWWZIU-RXVVDRJESA-N 425.485 2.431 30 10 IEEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(C)CC(=O)OCC 1868782367 HWFSSUQOLVIXSF-QZTJIDSGSA-N 448.589 2.331 30 10 IEEE CCCN(CCC)c1nc(NC(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870039649 YJPUYBWRBFTUTO-KRWDZBQOSA-N 430.534 2.388 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN(CCOC)CCOC 1870732687 SMZZEAQQQBNASP-UHFFFAOYSA-N 447.507 2.286 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCCCO)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871713949 UYJMVCVAOPLGJM-UHFFFAOYSA-N 440.548 2.373 30 10 IEEE COc1cc(/C=N/N[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccc(C)cc1C 1873470295 DWQZZPNFJGAFBX-KCDOPAPYSA-N 445.541 2.440 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1986020558 UASMIHSTGVJERF-LSDHHAIUSA-N 427.542 2.332 30 10 IEEE C[C@H](C#N)CS(=O)(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1994783666 LCZFLSLYNBBGHS-CQSZACIVSA-N 448.586 2.264 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccnc(C#N)c1 2006300036 BGQZDPRCPZRFQV-UHFFFAOYSA-N 433.509 2.445 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060622189 WZJZYUIMSXIQPN-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCN)cs1 2177659137 ANNPGFPENOLEPM-HNNXBMFYSA-N 445.566 2.115 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229116815 RPCHDWBDINUFRU-ZBFHGGJFSA-N 425.323 2.385 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CN(C(=O)OCc2ccccc2)C1 2243406468 ZFLPSBKITRCVMR-UHFFFAOYSA-N 439.321 2.075 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 2247917515 FRBJSEAGNFSERV-UHFFFAOYSA-N 437.371 2.490 30 10 IEEE COc1ccc(C(=O)NOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255597858 LHTSUSLRFJSATI-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255835306 UUSXJXXIJQPEDQ-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256068029 WLZXQLOQFRZGTO-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C 2267125064 RFHVZRKQVVDFDV-GJZGRUSLSA-N 448.373 2.330 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267495235 YXQCPDAOKRXIET-HKUYNNGSSA-N 438.381 2.217 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267521404 RRCMCVIHXWUINT-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C 2267524921 WZUDSRRUYFEACU-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267880692 VGFKZBANVMIOCR-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268651344 VQHIUBFSUIITRQ-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2296281673 NKUCVTUEAGJOAS-FUHIMQAGSA-N 439.350 2.433 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCOC[C@H]2CNC(=O)OC(C)(C)C)n1 2315389291 AAWKJUJIVGTZJG-QGZVFWFLSA-N 433.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2318644693 GHGPVFHOXQJOQL-CQSZACIVSA-N 442.268 2.088 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2329175732 UDDSECGJMFQQCK-UHFFFAOYSA-N 426.458 2.267 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccccc2O)o1 2330761690 UAKBJGOPSCKKRU-UHFFFAOYSA-N 429.458 2.174 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2334264745 KENTUXBVMPRWHI-SZMVWBNQSA-N 443.353 2.366 30 10 IEEE NN[C@H](C#CC1[C@H]2COC[C@H]12)c1ccc(Br)cc1I 2341629469 PCCWEXSZORKXFI-YRGRVCCFSA-N 433.087 2.454 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2342638538 BUPFNTVZSOTWMI-UHFFFAOYSA-N 448.369 2.222 30 10 IEEE N#Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl 12031951 WRVQRSVBLZXTAI-AWEZNQCLSA-N 438.914 2.425 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 102706848 OFPOLQKZYPIAOS-LAFOYAEKSA-N 443.452 2.135 30 10 IEEE CC1(c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)no2)CCCC1 433826414 OKWGLNVWMIDAIK-UHFFFAOYSA-N 443.529 2.916 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cn1 462087572 YNKQFQHJWPWSRI-HXUWFJFHSA-N 435.463 2.473 30 10 IEEE COc1cc(C(=O)N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)ccc1C 462089858 MVVFWNOIVLEHPJ-UHFFFAOYSA-N 445.483 2.446 30 10 IEEE CCOC(=O)c1csc(CCNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n1 470327994 MLUBIESQOCQBPQ-UHFFFAOYSA-N 426.502 2.143 30 10 IEEE CN1CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1C#N 474785796 NFVHOSTWOVULHJ-JTQLQIEISA-N 434.075 2.333 30 10 IEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489268401 UWCKCAHKDQUOSY-UHFFFAOYSA-N 448.570 2.003 30 10 IEEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 502494912 BSTKTEVTDKEDFM-VBKZILBWSA-N 439.534 2.200 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2C)cc1F 508696583 HIYORSFEIYRVSK-UHFFFAOYSA-N 440.504 2.312 30 10 IEEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508844403 IMUWKNXWNSDXKO-UHFFFAOYSA-N 446.555 2.265 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508906685 HVDGKILFVMDUKN-MRXNPFEDSA-N 426.912 2.240 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508952989 SMWXWZWYJIZEFS-PMACEKPBSA-N 447.543 2.130 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2nc3ccc(OC)cc3s2)c1=O 530381940 MAAMTSALRGWCOW-UHFFFAOYSA-N 425.535 2.420 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCC1 531145269 DFXKAZIWDHYDLR-NRFANRHFSA-N 448.571 2.316 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCCc2nnc3ccccn23)n1 543002602 IISLELIPMMEQOE-UHFFFAOYSA-N 448.874 2.128 30 10 IEEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1=O 543084775 KMQWSYVFSRAHHY-LJQANCHMSA-N 433.468 2.385 30 10 IEEE C[C@@H](C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)n1cnc(C#N)n1 545259109 ISRVILLWZCOJPY-SFHVURJKSA-N 443.511 2.241 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)CC(=O)N2C)cc1 609701672 RMZRDKYDJSMUSI-GHTZIAJQSA-N 449.511 2.300 30 10 IEEE C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N(C)CCC#N 729310208 UNWHLYBMSAGKHB-CQSZACIVSA-N 441.937 2.044 30 10 IEEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cc1 730139495 QOEQFCABPRDSKY-OALUTQOASA-N 432.590 2.427 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)c1 737868630 SDNNVMMQWRYEBT-ROUUACIJSA-N 441.553 2.460 30 10 IEEE COC(=O)[C@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(C#N)cc1 739991738 ZIWGLZGULVVCNM-HSZRJFAPSA-N 436.512 2.223 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 747268909 GYGGNGAJCMPXAE-RGFVMQALSA-N 425.510 2.271 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1COC[C@H]1C(=O)O 757265834 BVLFVNJAONKNAX-BHIFYINESA-N 448.475 2.133 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 763597160 VVGISSGRHQCYMP-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1 771546923 YHLNVABRFGAQRO-GOSISDBHSA-N 449.540 2.091 30 10 IEEE CN(C)c1cc(C(=O)NCC#CCNC(=O)c2cc(Cl)nc(N(C)C)c2)cc(Cl)n1 773783249 KPIBGTGKHSNSMD-UHFFFAOYSA-N 449.342 2.079 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)N2c3ccccc3NC(=O)C23CCCC3)n1 789324928 YHGBAQIINPUDCL-UHFFFAOYSA-N 435.528 2.263 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2c(F)cc(C#N)cc2F)n1 789966628 GQSWUIBSIDGXSI-CYBMUJFWSA-N 429.456 2.457 30 10 IEEE CC1(C)SC[C@H]1N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 802721162 QQMYCTJRIJFBIP-HUUCEWRRSA-N 432.571 2.280 30 10 IEEE Cc1ccoc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 813564304 YASJKWKIZLBHFO-YPYXJLKGSA-N 443.573 2.094 30 10 IEEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)c2cscc2C#N)CC1 814614085 ZNRULIKAJCPQCH-UHFFFAOYSA-N 440.525 2.122 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC2(C#N)CCCCC2)o1 1131326473 BGJTVWYRDUNHLS-OAHLLOKOSA-N 437.518 2.200 30 10 IEEE Cc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 1133575160 PPFDQIZYJHUPPV-UHFFFAOYSA-N 433.917 2.471 30 10 IEEE CCC(=O)N1CCc2ccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc21 1134129038 KDDXWEXDOZEUOJ-UHFFFAOYSA-N 426.498 2.430 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)CC1 1135889489 KSWQEZSLTMSJGL-UHFFFAOYSA-N 446.479 2.378 30 10 IEEE C#CCN(CC(=O)NCCNC(=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C 1136369137 ZNQUDOQIZIABJL-UHFFFAOYSA-N 438.322 2.165 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)OC)CCC(CC)CC2)s1 1137187017 XBZUCMSKLJEIBC-UHFFFAOYSA-N 428.576 2.383 30 10 IEEE C[C@@H](Sc1nc(CC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cs1)C(N)=O 1137430603 WBIOAKKNLDXRJV-LLVKDONJSA-N 426.527 2.230 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC)c1 1141542733 WTKCCLPLCOPUKK-QGZVFWFLSA-N 425.551 2.461 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1142086093 QVLBAMZWFWLNDA-LJQANCHMSA-N 441.532 2.018 30 10 IEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2=NCC(=O)N2C)c1 1149334435 PQSPJWBVNYXITO-UHFFFAOYSA-N 446.916 2.279 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OCC 1171440199 QXNSXKGYKNKBCX-YPMHNXCESA-N 426.926 2.252 30 10 IEEE COC[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@@H]1CCCOC1 1197844913 PTLFMESUVOJRCO-LQWHRVPQSA-N 444.576 2.387 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1286314047 JFNDSCBVHGZUFB-QGZVFWFLSA-N 447.609 2.292 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1286388065 XMOGOASFZVEJBG-SFHVURJKSA-N 443.479 2.293 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286388287 MYVNWOGORIZCTH-RVKKMQEKSA-N 430.530 2.170 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388395 OODAUIIZICPFKY-LAUBAEHRSA-N 432.546 2.288 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286390031 VKOFVXUICRRPBR-WSTZPKSXSA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1286395830 SNKDAGONAMFNNU-IRXDYDNUSA-N 426.608 2.290 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1286450043 MEGWVMNULRMYDP-UHFFFAOYSA-N 440.573 2.192 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1286564253 FXRHEYQRWVQJCF-SJLPKXTDSA-N 439.626 2.417 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286917867 AKWQGSBIMXJSFO-FQEVSTJZSA-N 449.559 2.180 30 10 IEEE C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1)N1CCOCC1 1288658682 DDVHFTJFUQLVCZ-LJQANCHMSA-N 431.544 2.493 30 10 IEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCOCC1 1292598179 HAAAGZXXHPGWDL-NRFANRHFSA-N 429.496 2.403 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1300303219 HHNCDEVCRWXUMW-QRQCRPRQSA-N 437.573 2.489 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1300365196 RCMGSLPJNKNTCB-IAGOWNOFSA-N 449.602 2.327 30 10 IEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300504437 NNGSNRMBQMGTFA-IEBWSBKVSA-N 446.573 2.081 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(S(C)(=O)=O)cc1 1300635114 DGYRKJYABMSEIE-UHFFFAOYSA-N 426.546 2.051 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 1300666328 XBEFRNCKOGDYBP-DLBZAZTESA-N 429.487 2.490 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCNc2nccc(C(F)(F)F)n2)CC1 1300682142 FGGQPAHHTVXCGD-HNNXBMFYSA-N 436.486 2.468 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nnc(C(C)(C)C)s2)CC1 1300697550 FBKBKAVKCPVPGN-MRXNPFEDSA-N 429.594 2.472 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC)CC1 1300715588 ALUMANSGEQNLAR-UHFFFAOYSA-N 433.354 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)s2)CC1 1300716705 PADWAFFBAKJPNH-QGZVFWFLSA-N 445.589 2.386 30 10 IEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1300763173 NZJGHXWVOHKKBS-GOSISDBHSA-N 449.602 2.054 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)CC=C 1300813126 BCZKMAKLTJRBAB-JOCHJYFZSA-N 428.558 2.493 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC2(CCC2)C1 1301483139 IAUQTZKLCFHEFX-UHFFFAOYSA-N 427.505 2.024 30 10 IEEE COCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301575337 VQBOAGDTKOYZQT-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1301615296 KKPXITLNMPQKAY-GOSISDBHSA-N 433.553 2.269 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1301634272 HIWLMCIMXFSRAN-JOCHJYFZSA-N 440.573 2.132 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)C1 1303940233 VVVFFEGDHZLHCT-WAOWUJCRSA-N 448.593 2.097 30 10 IEEE CN(c1nnc(CC(C)(C)C)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1314692864 DMMBZNRDTJRVAH-UHFFFAOYSA-N 434.566 2.240 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1315409475 BDIDBUIPFAFLDL-JOCHJYFZSA-N 434.504 2.237 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)c1 1316530335 HPJYNAHGBTUTQP-HXUWFJFHSA-N 433.516 2.338 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 1350629239 UFXVTQBKSXIUGI-UHFFFAOYSA-N 443.525 2.218 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1358990300 JGWLEBDYEWBCTA-HSZRJFAPSA-N 436.585 2.011 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359009435 PROOMNHBLOCCTR-YRXWBPOGSA-N 445.564 2.266 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)C(C)C)CC1 1359039553 NIRYIVKIYKYUHC-UHFFFAOYSA-N 440.617 2.406 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359059187 DFNFMHZNCDYZHO-UONOGXRCSA-N 441.648 2.258 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSCC1 1359131543 XMLSGNIRUUQHHL-UHFFFAOYSA-N 436.607 2.384 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1359307856 WRZVGVNFWDUISL-GOSISDBHSA-N 433.516 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359326699 IEQUURITHWLFEL-CRAIPNDOSA-N 435.598 2.442 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C)C1 1359329729 SBCVOYNFCSWCDD-OKILXGFUSA-N 425.942 2.208 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1359515719 DNUXGZIQUNKUNY-IRXDYDNUSA-N 430.578 2.439 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2nncn2C)CCOC1 1360323949 JQRWJZGZPVPOHO-QFIPXVFZSA-N 436.520 2.004 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1360340459 CSRJQMOVRPOYPN-FCHUYYIVSA-N 432.569 2.221 30 10 IEEE CO[C@H]1CCn2cc(C(=O)NCCCc3nn(-c4ccc(C)cc4)c(N)c3C#N)nc2C1 1445148051 BWUJDOACYAFBLO-KRWDZBQOSA-N 433.516 2.155 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1450477987 VKMVVNJTBCSQSK-GOSISDBHSA-N 441.285 2.146 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1451320916 BICQCIJQUYEPKK-XRXFAXGQSA-N 432.586 2.400 30 10 IEEE N#CCCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1454902239 BNMBBVPURVENFV-UHFFFAOYSA-N 432.590 2.242 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1455758452 MQSCNMHDJDROGE-UZUQRXQVSA-N 443.548 2.369 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 1457746776 XGFUXNZDTWYPGQ-SKDRFNHKSA-N 440.254 2.241 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1460071032 KDGPXAVNVZDCGA-SOUVJXGZSA-N 446.470 2.443 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)C1 1464496349 LCFWLGNHVJHWAF-AWEZNQCLSA-N 428.352 2.092 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)c1 1471145671 WBZQAXIYDXWSSC-FQEVSTJZSA-N 434.496 2.210 30 10 IEEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)CCS(N)(=O)=O)c2C#N)C1 1473767520 GPMDQLYDCRMSCN-ZDUSSCGKSA-N 426.608 2.320 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1479062071 MCIFMAYGBCBLKU-HXUWFJFHSA-N 435.590 2.365 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1494571375 QQBDCCXZRNIWJA-QFBILLFUSA-N 446.502 2.398 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1505045913 RSFAWOLEFAFGLI-HXUWFJFHSA-N 436.520 2.303 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1507522899 YTGLLRBLUVVVSG-MRXNPFEDSA-N 438.557 2.316 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCCC1 1507637385 JYZRXFLGOLJAEO-QFIPXVFZSA-N 430.556 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CC1 1507659816 FYNUOZJJZNJQHZ-SFHVURJKSA-N 425.558 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507665683 SENVELMPUBRECE-UHFFFAOYSA-N 442.571 2.321 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1507703996 LNSFAVRKQVISDT-HOYKHHGWSA-N 435.528 2.428 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507760171 VMKIOORSGYRKTP-LJQANCHMSA-N 441.557 2.164 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507907234 VHSLBTJVAUSYEZ-GOSISDBHSA-N 430.578 2.332 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1507920979 ZSAZNDWJXQNWDW-UHFFFAOYSA-N 428.581 2.452 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507953927 JQASYQKZZQGNSV-YADHBBJMSA-N 446.640 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1508142993 VUOOYVABLWYFMV-NRFANRHFSA-N 434.537 2.383 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1509957898 IEPYCIIVGURIHE-MRXNPFEDSA-N 437.548 2.308 30 10 IEEE CC1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1510319972 WIFLJKFGTQMVMZ-QGZVFWFLSA-N 428.562 2.477 30 10 IEEE Cc1cccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)c1 1511199683 ARSSRAANZLYXIX-UHFFFAOYSA-N 446.577 2.235 30 10 IEEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512352702 DBCVGCUFBZKWLX-LVCYWYKZSA-N 449.559 2.433 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1515478668 OKPUSPIEJMVADY-MOPGFXCFSA-N 428.558 2.225 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn2cccc(Br)c12 1519179968 RRRIIAMZRGCPDW-LBPRGKRZSA-N 426.278 2.109 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)ccc1F 1521174606 NWPWKLIZVARBLN-AWEZNQCLSA-N 428.486 2.259 30 10 IEEE C[C@H](C(=O)Nc1ccnn1-c1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1521813714 UHJNECXGLIEGGN-OAHLLOKOSA-N 438.488 2.150 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOc4c3ccc(F)c4F)C2=O)cc1 1529218116 JCFBQACBQLROOJ-OAHLLOKOSA-N 426.379 2.467 30 10 IEEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1537042014 HPPKKVWAFCTMNW-ZDUSSCGKSA-N 438.431 2.444 30 10 IEEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C1CCN(C)CC1 1538303631 XVJWGNJPPKLRJS-LJQANCHMSA-N 428.602 2.494 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539210027 AIBJHKKTWHURLQ-SFHVURJKSA-N 425.489 2.154 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1539557367 RUZSCKOQFSYTKR-XMSQKQJNSA-N 427.574 2.309 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1540071475 GGVBBOJXVWRGBS-HNNXBMFYSA-N 439.607 2.273 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1540114860 RQFZRVNIGRUFFD-HNNXBMFYSA-N 449.602 2.249 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)C[C@@H]1CC 1540868462 GMBOBOHWVJVBAC-HOTGVXAUSA-N 445.593 2.165 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CC1 1540871349 JRZXHYRJKSEZAM-KRWDZBQOSA-N 448.568 2.125 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)C1 1540893787 JZBJLEKFDFXFPY-SFHVURJKSA-N 431.562 2.013 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCOC2=O)CCOC1 1541728458 JQNIKNOKOUDTSA-FCHUYYIVSA-N 446.552 2.291 30 10 IEEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1543315900 PERUXFUSZZGELS-MRXNPFEDSA-N 434.470 2.064 30 10 IEEE CC(C)(C)n1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(O)nc1=O 1565333280 ANSSQGXPYYRALK-UHFFFAOYSA-N 425.489 2.329 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1566543574 GFQRYUHKCIFJHC-HUUCEWRRSA-N 449.943 2.197 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCOCC1 1570189691 INJGCDIRFMFKSS-MRXNPFEDSA-N 431.961 2.020 30 10 IEEE Cc1ccc(C(=O)Nc2ccc(Br)c(CO)c2)cc1S(=O)(=O)NCC#N 1583118571 JLBLOMCFHMENCS-UHFFFAOYSA-N 438.303 2.304 30 10 IEEE COc1nsc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1Br 1585256363 ARHYWPDJUVPJFF-UHFFFAOYSA-N 444.332 2.017 30 10 IEEE CC(=O)N1CCN(c2ccc(C(=O)N3CCCc4nc(C#N)ccc43)cc2[N+](=O)[O-])CC1 1586386132 VZJWTBIHKAEQDE-UHFFFAOYSA-N 434.456 2.123 30 10 IEEE CSC[C@H](C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1587186186 KSRGCIKCQWXARP-MIVHDCIWSA-N 440.569 2.372 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1587562411 OUJPGEFCBYAPMI-HZPDHXFCSA-N 429.496 2.297 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1587638690 GXORDIHDUUPGDM-DOTOQJQBSA-N 429.525 2.010 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1587850993 AYPSBTNVAOLRNY-BZSNNMDCSA-N 442.564 2.478 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(OC)C1CC1 1588200487 RLUMQJAKPLNEAV-HSZRJFAPSA-N 430.516 2.199 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnnn1C 1588695076 DHQGZGJLCQPCOA-UHFFFAOYSA-N 437.548 2.417 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)CC1 1588876554 CNAYWHOUUWAVIG-WNRNVDISSA-N 432.544 2.335 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1589047658 DQURFUYZWWUYEY-SFHVURJKSA-N 425.562 2.358 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)C 1589568746 MEIFMKGUXYSJIA-NQIIRXRSSA-N 429.569 2.082 30 10 IEEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1597672802 FPLJJOKKCCKCKI-SFHVURJKSA-N 437.548 2.243 30 10 IEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1617658955 AETJBFACSLUROO-HXUWFJFHSA-N 435.532 2.332 30 10 IEEE COc1cc(C)cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1619066743 MVNAIEHTGLFLDC-REWPJTCUSA-N 441.532 2.413 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1619968949 LNTHGNSGQLJLKG-MRXNPFEDSA-N 436.520 2.096 30 10 IEEE CSCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620278180 MRJPPWXDAHHXAY-UHFFFAOYSA-N 435.561 2.472 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccnc2)nnc1N1CCC(F)(F)CC1 1620384556 CNNQQSHVICEGSB-VLGSPTGOSA-N 429.431 2.102 30 10 IEEE N#Cc1ccc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)c(F)c1 1622536424 NGGKFWZBJDGKFL-CYBMUJFWSA-N 440.212 2.472 30 10 IEEE C[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CC1(Br)Br 1623668973 GTEKBJHLRYTWEJ-AWEZNQCLSA-N 428.128 2.498 30 10 IEEE COCCn1c(NC(=O)c2ccc(C#N)cc2OC)c(NCc2ccccc2)c(O)nc1=O 1627795081 BDSFFQXKYKAYDW-UHFFFAOYSA-N 449.467 2.340 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 1628146110 ACHNQRKOSKCNII-IBGZPJMESA-N 440.371 2.337 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1Cc2cccc(C#N)c2C1 1631763789 LYLYUGOCEJUWKL-LJQANCHMSA-N 445.928 2.287 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)c1 1632720528 VORNTAPCXGKAPJ-FQEVSTJZSA-N 445.610 2.264 30 10 IEEE Cc1noc([C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)n1 1637901715 ZQRIWMPIRCYPNH-SFHVURJKSA-N 433.534 2.490 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc(I)c3N)C2)nc1 1637928917 JGGIVEHOGVDZCX-GFCCVEGCSA-N 434.237 2.434 30 10 IEEE CCCCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CC1 1639265350 LWDZXWMHGBFZRK-OAQYLSRUSA-N 432.590 2.437 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)c1 1641312580 YWVRWEMZKRYLIU-UHFFFAOYSA-N 425.441 2.140 30 10 IEEE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1643806912 HDTNPAJSQGASOW-MRXNPFEDSA-N 429.456 2.187 30 10 IEEE C#CCN(C(=O)CCCS(=O)(=O)N1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454573 LWMSYAKNOXPKCH-UHFFFAOYSA-N 441.594 2.054 30 10 IEEE COC(=O)C1([C@]2(O)CCCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)CCC1 1645552133 QWOUKKQMRNPJBC-DEOSSOPVSA-N 441.528 2.410 30 10 IEEE C=C(C)C[C@@H](NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1648791297 NQERUGZITXJSAK-OAHLLOKOSA-N 436.452 2.388 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1 1654706536 LDTNKSHOUSIAEH-UHFFFAOYSA-N 435.484 2.257 30 10 IEEE N#C[C@@]12CN(CCC(=O)N[C@@H](c3ccccc3)c3cccs3)C[C@H]1CS(=O)(=O)C2 1655683583 HMRVMXWBQJJOHK-YYWHXJBOSA-N 429.567 2.214 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 1666268893 UFEYVZIBUZNEJC-UHFFFAOYSA-N 425.507 2.266 30 10 IEEE C=CCOc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1681031992 NMELOWKYMVGBRK-QGZVFWFLSA-N 444.532 2.271 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 1682348584 IFQCNUGLCKAELU-AEFFLSMTSA-N 430.480 2.019 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1682368301 YDQXVIXANZDNHD-FQEVSTJZSA-N 433.578 2.211 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC(C)C 1689947877 NICFRUPRMHGCDG-HNNXBMFYSA-N 439.969 2.469 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1689989954 KDAAXYBWATVKQR-SQNIBIBYSA-N 438.619 2.085 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1690015106 AOKWKJUIHCXFNM-FGZHOGPDSA-N 446.555 2.148 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(=C)C 1690042835 DZMZYTBZKVOBGU-UHFFFAOYSA-N 440.573 2.294 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCCOC)C1 1690225461 AADSTGJOUWTWMK-HNNXBMFYSA-N 425.331 2.219 30 10 IEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1690364216 LUOPCUAPGWGPSE-KRWDZBQOSA-N 449.577 2.115 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCCOC)CC1 1690364299 NIDUIXLUUAMEPO-QGZVFWFLSA-N 449.577 2.118 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690668164 VYLSSPZJBGFUBD-UHFFFAOYSA-N 437.548 2.014 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(CC)Cc1cnn(C)c1 1690672492 UBPFDZNMTBVTDF-UHFFFAOYSA-N 429.475 2.209 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)C1 1690691435 DJRZIWFZZBDTRH-CYBMUJFWSA-N 426.855 2.156 30 10 IEEE C[C@@H]1CCCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1693681819 BFYAYNPOCQUCNR-UYAOXDASSA-N 448.637 2.432 30 10 IEEE CO[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697119842 LUVBRCSSQAGWHG-JKSUJKDBSA-N 438.561 2.342 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1698193013 RGIUSPANKWCCLL-SFTDATJTSA-N 441.532 2.254 30 10 IEEE COCCOCCCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698219131 DTLFNFHMTVQBJX-UHFFFAOYSA-N 428.537 2.455 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1705495619 SFLOJIWFNBCEJC-TYPHKJRUSA-N 441.601 2.303 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1705505270 KMXUWWIZLRVBMB-UYAOXDASSA-N 445.527 2.342 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCc1cnc2c(Cl)cnn2c1 1705540815 OENNYFYLKWWEPW-UHFFFAOYSA-N 428.928 2.205 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705572393 ZRTWDXCYVMVFBK-SFHVURJKSA-N 442.564 2.136 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 1705651893 KKHSPIYGYJTQOA-IBGZPJMESA-N 443.573 2.067 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1705697145 KLCQEHVQHMIRJX-VDGAXYAQSA-N 445.589 2.432 30 10 IEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(=O)NC 1705789565 PCAKPCQHSSMYCZ-UHFFFAOYSA-N 447.609 2.413 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1705840742 AJEYIWOKTQQFIK-VQIMIIECSA-N 438.532 2.349 30 10 IEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCS(C)(=O)=O 1705841768 IZIZNNFCJVXTAZ-UHFFFAOYSA-N 430.534 2.431 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)no1 1705864099 QZVXRHOPQOCGEO-AWEZNQCLSA-N 436.563 2.487 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1705903453 WNFOZOKAJWJXRX-RLLQIKCJSA-N 425.533 2.441 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1706061006 HPXSRQJRGVZECC-IBGZPJMESA-N 438.532 2.228 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1708531294 BHRIJMFYIUFMQT-IFMALSPDSA-N 442.656 2.386 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)C[C@@H]1C 1710218711 IDLXVTWCIGNMPT-BBTUJRGHSA-N 442.564 2.309 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1712260779 CBULWZHBDNYXIN-HNNXBMFYSA-N 441.513 2.334 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSCCCO)CCO1 1712884301 JWBYPLOPEUJVND-KRWDZBQOSA-N 426.546 2.195 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722305468 ARHFKVTVPXMHHR-UHFFFAOYSA-N 431.562 2.260 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1722363941 DBZAKWTWICCMIB-RTBURBONSA-N 445.614 2.176 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722371539 JZBVJXHFMBKFFG-OFNKIYASSA-N 444.601 2.241 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)COC)CC1 1722450541 MCDRHQRHOJDJCW-KRWDZBQOSA-N 443.523 2.245 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(C)=O)CC1 1722454989 PFGVIWAZVJEVLC-UHFFFAOYSA-N 428.518 2.325 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1722492267 DYCDRODOLMCFEM-WOJBJXKFSA-N 435.532 2.259 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)COC1 1722659066 NSTLADRQWUVKKZ-OAHLLOKOSA-N 437.541 2.257 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2ccnc2C)nc1 1722677633 KLFISOPUUDYDSA-UHFFFAOYSA-N 433.520 2.255 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(C)(OC)C1 1722693307 JSRPYYQSSFLEIB-UHFFFAOYSA-N 438.301 2.374 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cs1 1725345715 SPDLDTXCWFZAQZ-RXVVDRJESA-N 447.584 2.433 30 10 IEEE CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1726792895 HAXHABPCPAYKIN-QGZVFWFLSA-N 426.569 2.458 30 10 IEEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)cc1OC 1728210318 CJRUYKWXYYQTSS-NRFANRHFSA-N 430.484 2.273 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCC2)CC1 1729168180 JDXAZKOFPGNLAW-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1729612463 JHNMLCDSFYUYTI-UHFFFAOYSA-N 449.515 2.286 30 10 IEEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1729722906 CZEIIKFMYJKWHW-UHFFFAOYSA-N 444.543 2.441 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730478935 DXOGFQPUAVUGAP-GOSISDBHSA-N 433.447 2.336 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740597151 QDFLDVYAPQZWAS-UYAOXDASSA-N 439.564 2.197 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740620962 ITCKXEWECXYSAP-GOSISDBHSA-N 427.505 2.098 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740636263 WYCUOOQKBPCCPA-YADARESESA-N 436.512 2.373 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@]2(C)COCCO2)n1 1740688791 JQLVWVSAQCEVEE-HSZRJFAPSA-N 444.580 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2=CCCOC2)CC1 1740703110 GOUUUSHUDKOJDQ-UHFFFAOYSA-N 435.528 2.266 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=C)Br)CC1 1740706590 XEHUTRKSXNFDKS-INIZCTEOSA-N 436.354 2.047 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740715689 LUUXUZICPDEASR-MRXNPFEDSA-N 427.578 2.233 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1740927404 GIVKUUDUPPCTJJ-UHFFFAOYSA-N 439.520 2.196 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1740941856 VEHSKVVZFAZRTL-FQEVSTJZSA-N 433.597 2.456 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCCC2)C1 1740955423 UMJOGANBMRGDIP-UHFFFAOYSA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740956146 HZZJDBOGWUQZOR-UHFFFAOYSA-N 447.561 2.086 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCC(C)C)CCO1 1741105581 XYYOTLRJRXZPNV-NRFANRHFSA-N 440.548 2.221 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cnn(C)n1 1741980913 FTMFHYWPTVVQJK-DOTOQJQBSA-N 440.483 2.047 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1747707821 VCIZDTYCTSDSPE-RTBURBONSA-N 429.546 2.115 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748812679 ZAKPEWJMTUGLOU-CMKODMSKSA-N 443.573 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)Cc1ccccc1 1748902098 HTMVDETUJJZCQF-HXUWFJFHSA-N 426.542 2.208 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1748922858 ODVMYJUMKFMKGJ-UHFFFAOYSA-N 431.504 2.448 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1748993535 BDOYBLLYMRENSV-NRFANRHFSA-N 442.633 2.042 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSCC(C)C)CC1 1748994684 NAPORJXSQVVIAI-UHFFFAOYSA-N 446.646 2.414 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCOC 1749067770 WROUMPGDZDWDOW-HSZRJFAPSA-N 439.564 2.107 30 10 IEEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749386762 KBGSLTWHJNRDPR-UHFFFAOYSA-N 427.553 2.209 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749452214 RXJZGEGSMBQCNH-HXUWFJFHSA-N 426.565 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 1749724443 JKDRHGUYEUNNGN-RTBURBONSA-N 445.589 2.123 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749751065 JPMSFTLDAQJZNZ-UHFFFAOYSA-N 449.588 2.500 30 10 IEEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1750109285 NFLVPYMNRLWPHJ-QFIPXVFZSA-N 448.527 2.376 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1751089355 FZPKTZNGDORZJH-YVHKJVDXSA-N 439.520 2.392 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1760124029 NQKHVUWYOMRWAV-INIZCTEOSA-N 432.546 2.291 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(F)cccc2OC(F)F)CC1 1760258852 CRXDAFAHRTYERV-OAHLLOKOSA-N 435.450 2.326 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760281382 QRWNUBXEDQILOA-UHFFFAOYSA-N 425.624 2.210 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC1 1760550710 GSHPJWRCRYBBBE-UHFFFAOYSA-N 436.534 2.172 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760567391 YVNPHKQDDQVGRV-LJQANCHMSA-N 425.562 2.285 30 10 IEEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760682391 VEPRHJYLYCDDRX-UHFFFAOYSA-N 435.576 2.341 30 10 IEEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)OC 1762125320 HJORWPHSRKZXMN-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1768139240 COLVJWGCDCQURT-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE Cn1nccc1CN(c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O)C1CC1 1769085323 XXPGOQOGGYZCNJ-UHFFFAOYSA-N 439.545 2.154 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1769476083 YAWMKKKSASXOMH-NRFANRHFSA-N 441.532 2.397 30 10 IEEE COc1ccc(-c2ccc(N3CCN(C(=O)c4ccnc(C#N)c4)CC3)nn2)cc1OC 1848932856 DRHNJJKDLFGCKP-UHFFFAOYSA-N 430.468 2.390 30 10 IEEE Cc1c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nnn1Cc1ccc(F)cc1 1851938174 DITCZBOQTTXSRF-UHFFFAOYSA-N 449.490 2.020 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)N3CCC(C(=O)Nc4cc(C#N)ccn4)CC3)CC2=O)cc1 1852423609 QUDRMKDSFROBCV-OAQYLSRUSA-N 445.523 2.488 30 10 IEEE N#Cc1ccc(F)c(C(=O)OC[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c1F 1852702199 MXMAUFDNZCYNEM-KRWDZBQOSA-N 434.464 2.335 30 10 IEEE COc1ccc(-n2ncc(C#N)c2NC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)cc1 1853156009 TVUZBKABCYONRO-FQEVSTJZSA-N 447.499 2.368 30 10 IEEE CS(=O)(=O)N1CCC[C@@H](OC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1853217621 PDWHBZZJZANTDF-GOSISDBHSA-N 442.541 2.290 30 10 IEEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4csc(C)n4)CC3)CC2=O)CC1=O 1853643481 NWERMVQFTFUXSH-ZWKOTPCHSA-N 430.574 2.073 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cc(C)n(C)n2)CC1 1855568571 IMLFIQGNGJEZAU-UHFFFAOYSA-N 428.514 2.189 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)C[C@@H]3CCc4ccccc43)C(=O)O2)CC1 1856611131 AMVXXTCXUYUYAU-HKUYNNGSSA-N 431.514 2.019 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc3scnc3c2)C1)[C@H]1CCN(C)C1=O 1857055288 BPHZLKLKZQBGEO-YJBOKZPZSA-N 426.542 2.394 30 10 IEEE C=CCn1cc(O[C@@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c(=O)cc1C(=O)O 1857889940 AXVQZKBXWKLEJX-STQMWFEESA-N 426.425 2.126 30 10 IEEE C=CCOc1cn(CCN2CCOCC2)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870808964 IXFZBNHJIMHAPY-UHFFFAOYSA-N 426.517 2.316 30 10 IEEE CCOc1ccc(-c2nc([C@@H](C#N)C(=O)CN3CCN(CCO)CC3)sc2C)cc1 1872799763 KEDYFQZUAXUUBY-IBGZPJMESA-N 428.558 2.303 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(CC)c([N+](=O)[O-])c3)CC2)CC1=O 1872917496 CODVFQBFSJVTGA-QGZVFWFLSA-N 428.489 2.369 30 10 IEEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 1874280089 JZYQVRZURLRYAO-OOXYOOLHSA-N 447.561 2.376 30 10 IEEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccn1C 1874431945 GOTVNRKVSRETJV-FSJBWODESA-N 439.545 2.428 30 10 IEEE C#CCOC1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2ccc(OC)cc2)CC1 1890827224 KUNVJKAMPCJMDC-FCHUYYIVSA-N 428.554 2.484 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC3(CC2)C[C@@H]3C#N)cc1 1891765323 UCZRVHHXFVDDRB-YLJYHZDGSA-N 444.557 2.340 30 10 IEEE CCn1cc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c(=O)c2cc3c(cc21)OCO3 1892011464 AQESMIYVQNKKCU-CQSZACIVSA-N 447.451 2.095 30 10 IEEE N#C[C@H]1CCN(S(=O)(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1957287146 TXCDXTWOTCRJAA-MRXNPFEDSA-N 440.525 2.205 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2022243029 OYNDVAANCCWGNC-RRFJBIMHSA-N 441.525 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060640171 QQFSCLAVBWHCDH-CPBBTPEFSA-N 436.358 2.299 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CCC(=NO)CC2)C1 2169506619 LGCTWGHADCFMMK-UHFFFAOYSA-N 433.530 2.489 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@](O)(CNC(=O)OC(C)(C)C)C2)C1 2249676374 NPTBKTCHPGAIFB-OAQYLSRUSA-N 439.553 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2255632377 MHKFJUUPFNMHHN-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256023525 RWECNGRAWMROCS-CHWSQXEVSA-N 427.276 2.461 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256621265 RYYSENPBYJBVSU-ZHRRBRCNSA-N 434.342 2.011 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H]2COC[C@@H]12 2266062173 SKOYFHUMCUQMSF-NUEKZKHPSA-N 449.332 2.248 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267120074 FEBZIXUVVSAYNA-GJZGRUSLSA-N 446.357 2.036 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267137150 OVHSTQISNHPJQN-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267142767 YTRBAAMAAHTRPY-CABCVRRESA-N 446.357 2.038 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267155396 SPTLNYSDHAXLJZ-HUUCEWRRSA-N 448.373 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267193540 GUUXLNJESJGUBE-QKDCVEJESA-N 446.357 2.369 30 10 IEEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1 2267270166 JWVFHOJDVVZWSQ-UHFFFAOYSA-N 444.297 2.068 30 10 IEEE CC1(C)OB(c2c(F)cccc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2267413927 HZFGVNCQMMAFQI-NWDGAFQWSA-N 442.218 2.113 30 10 IEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1NC(=O)OC(C)(C)C 2267503100 XVHXDHSGPJXGIS-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2267531552 RRGYJOAVRXVNEU-FOLVSLTJSA-N 448.373 2.330 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267536547 CTTAISWLQAAEGE-CABCVRRESA-N 448.373 2.093 30 10 IEEE C#CCCN(CC(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286029496 NWKZUFNMRCBVHS-GOSISDBHSA-N 438.546 2.156 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NCc3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2312832779 RDWMAWMMEFBJBC-PONJGIIJSA-N 434.342 2.493 30 10 IEEE COc1ccc(NC(=O)C#CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2317462113 NQAYSKWTAMNQOS-UHFFFAOYSA-N 430.310 2.461 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2337207874 GLNBQSBOIAJFII-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE O=C(C1=CCS(=O)(=O)CC1)[C@H](O)c1sc(Cl)cc1I 2341098827 PNNOVWIXQVNGKB-JTQLQIEISA-N 432.688 2.354 30 10 IEEE C=CCN1C(=O)CSc2cnn(CC(=O)NCc3ccc(C(F)(F)F)cc3)c(=O)c21 65132997 ZBXCKDFBBPCYKR-UHFFFAOYSA-N 438.431 2.203 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1C 102703381 NSOTXTOELDMVAY-SADKCHQCSA-N 437.496 2.153 30 10 IEEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 109933764 JRZJUCGXJTUTMQ-LJQANCHMSA-N 435.509 2.208 30 10 IEEE COc1ccccc1CN1C(=NC(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@H]21 254449963 QDAWNXMJVRJHHS-IEBWSBKVSA-N 446.550 2.371 30 10 IEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1)[C@@H]1CCOC1 461706795 VQDHJAKMWLCTMR-RTBURBONSA-N 427.505 2.007 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc1C 465004301 VSYAHJAKZHGZFX-AWEZNQCLSA-N 428.518 2.488 30 10 IEEE COc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1OC 518689506 GKAKSJLNIAXTJY-UHFFFAOYSA-N 431.514 2.177 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(F)cc3C)c2=O)cn1 522386377 PZRHPRJMTDEWPX-UHFFFAOYSA-N 436.512 2.435 30 10 IEEE C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnn2)cc1 535171448 DLTMJUJRQJYDFX-MGPUTAFESA-N 443.467 2.221 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(C(=O)N3CCCCC3)CC2)CC1 540474239 AZHTZBGLAATWQA-HXUWFJFHSA-N 443.617 2.181 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541101769 SGHPHNABJDSQKJ-HNNXBMFYSA-N 443.939 2.462 30 10 IEEE CN(C)C(=O)CN1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542034897 OMKCAFUNFUDUGO-UHFFFAOYSA-N 429.912 2.071 30 10 IEEE COc1cc(CN=c2[nH]cc(OC)c(=NCc3ccc(C#N)c(OC)c3)[nH]2)ccc1C#N 568940151 YUFJZHSYVBDEMH-UHFFFAOYSA-N 430.468 2.314 30 10 IEEE COc1cc(NC2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cc(OC)c1 586864369 SPMYBWHMYCFEQI-UHFFFAOYSA-N 440.475 2.434 30 10 IEEE Cc1ccc(C#CCCO)c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 707464870 XVEIKBROKYTZHV-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727814631 KAMYSSBNRNNQKC-UHFFFAOYSA-N 439.562 2.369 30 10 IEEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730708777 IRPDPUWYRNHEJL-KRWDZBQOSA-N 440.529 2.272 30 10 IEEE COC(=O)C1=C(C(C)=O)[C@@H](c2cnn3ccccc23)NC(=O)N1Cc1ccc(C(=O)O)cc1 731433277 QTKGNAQLHYIHDZ-LJQANCHMSA-N 448.435 2.315 30 10 IEEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)C(C)C 744430404 YPHJVWBIBSMGHD-OALUTQOASA-N 445.589 2.229 30 10 IEEE COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1c(C)oc(-n2cccc2)c1C#N 745550880 WHCCQYYTAFWWPV-MHWRWJLKSA-N 429.454 2.387 30 10 IEEE N#Cc1ccc(CNC(=O)COC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 746574379 HGJQJOCJZAWVGU-FQEVSTJZSA-N 437.471 2.338 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 747243453 SROJTTAQWWSWFN-JXMROGBWSA-N 429.473 2.394 30 10 IEEE C[C@H](Cn1cncn1)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 749212106 CTGXVOZMNLADPY-ZLNYZARCSA-N 433.538 2.081 30 10 IEEE O=C(NCC#CC(=O)N1C[C@@H]2C[C@@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470517 HWJFXGRIGZAYPQ-IVCQMTBJSA-N 430.460 2.462 30 10 IEEE CO[C@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 757470628 KLOXEGIJKPDBBD-IRLDBZIGSA-N 448.475 2.087 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc(Br)c2)c1=O 758056440 XHLMMEHFAJREPI-UHFFFAOYSA-N 433.352 2.239 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758057046 ZNJVSQZXNKFENL-UHFFFAOYSA-N 449.875 2.491 30 10 IEEE COc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 761043020 PVNAXEVYGMJTRL-UHFFFAOYSA-N 449.540 2.248 30 10 IEEE CN1C(=C2C(=N)N(Cc3cnc(N4CCOCC4)c(F)c3)CC2=O)N(C)c2ccccc21 764887933 KBDNYSMNXPAQKV-UHFFFAOYSA-N 436.491 2.217 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1C 765541340 CALSGXDOBBBTCB-IBGZPJMESA-N 442.589 2.237 30 10 IEEE CC(=NNc1ccc(S(N)(=O)=O)cc1)c1cc2c(cc1Br)NC(=O)CO2 767352693 ZTCOSRHKBNKFMQ-UHFFFAOYSA-N 439.291 2.264 30 10 IEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCCc2cccc3cccnc23)C1=O 768516397 BUZBVSLCZKHELY-DEOSSOPVSA-N 427.464 2.232 30 10 IEEE C=CCS(=O)(=O)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 772723559 NWMLUVTXKFVQDH-AWEZNQCLSA-N 432.951 2.031 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)CCN1C1CC1 773248601 CFKCSWZFORUDLJ-CYBMUJFWSA-N 446.376 2.487 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)CCCN1C(=O)OC(C)(C)C 790258991 CXDFVNLARCVYSV-JPYJTQIMSA-N 436.597 2.391 30 10 IEEE CCOC(=O)[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)C1C2CC3CC(C2)CC1C3 794174431 YZDPRYGRLNIICE-XHSZCBFHSA-N 443.544 2.271 30 10 IEEE COc1cc2c(cc1F)CC[C@H]2NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 801554698 ODZBYXLFNBZENK-QGZVFWFLSA-N 431.489 2.457 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(CNS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 804328440 JDZMAOVIETYOMA-HXUWFJFHSA-N 429.583 2.120 30 10 IEEE C=CC[C@@]1(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 804693597 XVFROJXDPHQZAD-JXFKEZNVSA-N 429.583 2.263 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@](C)(CO)c2ccc(O)cc2)c1 808819086 HLRWYVXBJGSRJH-AZJLSSPBSA-N 446.529 2.234 30 10 IEEE CCC(CC)C(=O)N1CCC(=NOCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CC1 920400138 AODFVPUFYJNKLZ-IBGZPJMESA-N 443.610 2.089 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCCc1ccc(Cl)cc1 1084199470 PWOSYECBPBYQAU-UHFFFAOYSA-N 445.936 2.248 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1129062865 AJOOPIQNPMWZLA-VCBZYWHSSA-N 436.306 2.066 30 10 IEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2COCCN2CC(F)(F)F)nc1C 1144387930 YURMWHGPMIHMQO-JTQLQIEISA-N 448.496 2.386 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1146468465 NKMUCEMKDOAAKR-VXGBXAGGSA-N 428.352 2.037 30 10 IEEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1159132133 FBAFSEAJCKFDLC-KXBFYZLASA-N 428.920 2.328 30 10 IEEE COC(=O)[C@]1(NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC[C@H](C)c2ccccc21 1176947709 YVAMMJXUDWNCRL-VNZMSGEBSA-N 426.561 2.234 30 10 IEEE COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)S(=O)(=O)CC(C)(C)C#N 1190539823 HADILAVLRKWTND-CQSZACIVSA-N 433.324 2.483 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1224396611 DYNHUNLHKNDUSE-QUCCMNQESA-N 426.496 2.085 30 10 IEEE CSCC1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1251393355 HCYRYWXIICMJFX-UHFFFAOYSA-N 436.603 2.496 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCOC2)CC1 1286641586 YPVMERPXIIYFLI-JOCHJYFZSA-N 430.505 2.279 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1286700190 KTKBIHXZEFWTFP-LJQANCHMSA-N 427.505 2.228 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2Cc2cn(C3COC3)nn2)cc1C 1289721749 QJZNSJQHHFSKDS-MRXNPFEDSA-N 449.519 2.097 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1292614761 MTMHWRREYCOJIZ-HKUYNNGSSA-N 438.532 2.063 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1298755949 ITFJABXIVNMUMC-LJQANCHMSA-N 444.532 2.049 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H](C#N)CCc1ccccc1 1299863414 JFXBDOKBZIQYDE-KRWDZBQOSA-N 430.486 2.104 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCOCCS(C)(=O)=O 1300287339 YWVXBVXDKXJQAT-ZDUSSCGKSA-N 428.917 2.257 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1300307505 FWCOUCYVNFRGMR-AEFFLSMTSA-N 432.594 2.382 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1300498834 NJUGOXWWLOWHEI-OALUTQOASA-N 445.614 2.176 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)c2c(C)noc2C)CC1 1300719798 QGJSLJBDWBMHRW-HNNXBMFYSA-N 448.531 2.109 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301491328 PQVAMKKUIMLEQY-OAHLLOKOSA-N 429.525 2.021 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)cc1 1301518640 MKGQUIHWPCGDLH-WZONZLPQSA-N 438.576 2.188 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(Cl)ccc1OC 1302098799 QQGCGHKIWGCHCS-PBHICJAKSA-N 435.912 2.441 30 10 IEEE Cc1sc2ncn(CC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c(=O)c2c1C 1302585186 GUPNVNQJWARYTA-UHFFFAOYSA-N 425.489 2.434 30 10 IEEE CC[C@@H]1CCCCN1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1306324045 OCGRPTIINHYUQX-TXTKFYIRSA-N 446.596 2.312 30 10 IEEE C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)[C@@H]1CCCc2ccccc21 1308103297 GDGVYUJQPCYOEM-HXUWFJFHSA-N 427.526 2.294 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)cc1 1316335000 DOCGLOYORBQTEP-KRWDZBQOSA-N 445.545 2.004 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOC(F)(F)F)CCO1 1316540676 YLUSPVQBJUGEDS-ZDUSSCGKSA-N 425.367 2.329 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(OCC(N)=O)CC2)c1=S 1319378599 AZDAJKKCPQIWFR-UHFFFAOYSA-N 431.562 2.411 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCOC(C)(C)C)c1 1358900382 JBXRTGVHRMGODH-UHFFFAOYSA-N 440.548 2.288 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccc(F)cc2)CCOCC1 1358937258 NSIWKCSAUYFORL-UHFFFAOYSA-N 425.508 2.471 30 10 IEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1358955229 ICFPDXQGNXJSIP-KRWDZBQOSA-N 435.594 2.013 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1359030011 MGDLFPRVRNDFNJ-CVDCTZTESA-N 433.597 2.135 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1359142209 CIUNWHGAWGAOKC-NWDGAFQWSA-N 445.895 2.189 30 10 IEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](OCCOC)C1 1359151071 MCXJESJKNRCJHX-GOSISDBHSA-N 447.971 2.446 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnc1C 1359233527 IQTZNIPVLWFHKW-UHFFFAOYSA-N 443.577 2.413 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C)C1=O 1359264626 KGZPESGIMJZFLS-NRFANRHFSA-N 428.562 2.133 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1359277092 BNNGUUHXUBHXEX-KKSFZXQISA-N 434.562 2.169 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1359301433 YQZGVFWTLNTCQP-QAPCUYQASA-N 449.914 2.455 30 10 IEEE C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1360562442 BCGDFEHJLNCGKB-SIKLNZKXSA-N 437.592 2.316 30 10 IEEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1443015812 YQQXPJZTMOGRKI-UHFFFAOYSA-N 439.509 2.500 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1451121412 CZASPJFEPRGQAD-UHFFFAOYSA-N 449.573 2.252 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1455477590 WILWOPUUVHOUHJ-ZHRRBRCNSA-N 429.521 2.064 30 10 IEEE Cn1ccnc1C(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1nccn1C 1461655323 MCBJZKUCRQWDHW-OAHLLOKOSA-N 429.525 2.336 30 10 IEEE COC(=O)c1ccc(CCNC(=O)N2CCN(c3snc(C)c3C#N)CC2)c(OC)c1 1478707951 BQCCTHHNIYTKFE-UHFFFAOYSA-N 443.529 2.193 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1499331686 CUOFLCBMJGQDLK-FGTMMUONSA-N 426.521 2.424 30 10 IEEE CCCCOCCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1500606390 VTZVOWKLPGRQKT-UHFFFAOYSA-N 436.520 2.420 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1507521203 KZSJEGOZMCEEDB-KBXCAEBGSA-N 441.532 2.344 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1507591082 IOYPXAULRSJZHD-GUDVDZBRSA-N 449.621 2.115 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1507857573 PASCNZBKYMBSAH-UHFFFAOYSA-N 427.734 2.467 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1508072458 IEDQVYUVKPCWEN-MLGOLLRUSA-N 449.353 2.342 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1508098234 ZBJHJSFDIDAZLR-JKSUJKDBSA-N 429.525 2.322 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1508545459 AFCSKFBKXWQKGQ-NHKNDPDJSA-N 428.537 2.008 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1513342969 PHWJHMMBXPKBIJ-HSZRJFAPSA-N 441.580 2.337 30 10 IEEE Cc1nsc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)c1C#N 1518997827 VGYKUPKJMNKZGT-QGZVFWFLSA-N 448.302 2.491 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCOCC4(CC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1521095497 LCGQOTAGEKOKPM-UHFFFAOYSA-N 434.422 2.112 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCC(F)(F)F)CCO1 1521136355 DDEHKBRBFCSRMG-LBPRGKRZSA-N 428.440 2.341 30 10 IEEE Cn1cc(N2C[C@H](C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)CCC2=O)cn1 1524578237 ZUTGARQEENZWLN-MRXNPFEDSA-N 426.908 2.037 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C2CC2)n1 1531952280 YJYOGJPXPWIRSL-UHFFFAOYSA-N 425.514 2.253 30 10 IEEE Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)C2)c1 1532112742 GCMWYUOVDNYVNC-KRWDZBQOSA-N 436.516 2.226 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1coc(-c2ccc(C)cc2)n1 1539178922 MOVDRACJCCRTDG-SFHVURJKSA-N 439.541 2.456 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539215972 MGDCTEJEXKKXJE-IEBWSBKVSA-N 433.622 2.293 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1539751378 MCAKRDFKQZRKNH-LJQANCHMSA-N 443.523 2.476 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540194019 GOGTYTAIGFKVIH-SFHVURJKSA-N 433.578 2.174 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CCS(C)(=O)=O)cc1 1540877761 FDLLKNIHSIVJHY-GOSISDBHSA-N 434.562 2.266 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 1540879068 RJRQYCAIHZYIIZ-UHFFFAOYSA-N 447.543 2.274 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nnc(C)s2)C1 1540882363 HIINAUUWSSGYQT-OAHLLOKOSA-N 440.533 2.109 30 10 IEEE CC(C)NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1541690007 PWEYEZYFJFOBEI-UHFFFAOYSA-N 438.580 2.375 30 10 IEEE C[C@H](CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)c1nccs1 1541831108 LYEZRQXEYYVCAS-IWHJNQCMSA-N 441.561 2.453 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 1543917816 OUIWARAKOGVXMU-UHFFFAOYSA-N 439.438 2.397 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3nc(CO)[nH]c3c2)cc1 1544462821 KPGRLCWCHXPVJA-CLCOLTQESA-N 427.486 2.120 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1547628543 GHZAGWUVJHHKRU-LJQANCHMSA-N 436.520 2.108 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)C1 1555700020 MTWQVPUYSHQORX-KRWDZBQOSA-N 425.518 2.267 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cn2)CCO1 1555993806 CAYGMENZJCONBZ-KRWDZBQOSA-N 425.880 2.120 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C2)nc1 1558464739 MLIODUTYMGXGIF-YLAKUSLOSA-N 428.562 2.082 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCOC1 1587567697 IXUAAKUEKVXEFY-RDJZCZTQSA-N 430.578 2.431 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1588083644 HVKAWBDKBWPMQC-AWEZNQCLSA-N 439.463 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1 1588189216 FQRVVYAUGPYDNV-UHFFFAOYSA-N 426.322 2.291 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C)c(C)s1 1588575226 ZSKAEXPXXMMFKV-UHFFFAOYSA-N 425.518 2.133 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOCC)CCCC2)CC1 1588733204 PCFKJSNQTAHZOQ-UHFFFAOYSA-N 442.608 2.256 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)CCC)CC1 1588779783 CPVZUBVVCCTONW-HSZRJFAPSA-N 427.549 2.269 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2F)CC1 1588930220 QJMBLPFKRSUQDT-IBGZPJMESA-N 425.508 2.325 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1589556875 FESKBTNBICGEPN-FXAWDEMLSA-N 426.521 2.134 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1593630258 IBADWYIAJGXOEJ-FQEVSTJZSA-N 445.589 2.400 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1595561933 HTUOTMSZCYVWII-UHFFFAOYSA-N 447.543 2.258 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1 1595648611 GCQOYIFPPIAMJG-UHFFFAOYSA-N 425.514 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CC)C[C@H]1CCCO1 1595778037 UUEJRRBBKFDPTC-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1596830442 ANZKFPOBDWTKQM-FXAWDEMLSA-N 440.548 2.497 30 10 IEEE C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCc1ccccc1 1611366839 IDODWKJQYAKPAC-DNVCBOLYSA-N 434.452 2.011 30 10 IEEE COc1ccc(Br)c(C(=O)NCCCNC(=O)c2cccc(C#CCO)c2)c1 1615750436 ZNPMDVXHMGQTTB-UHFFFAOYSA-N 445.313 2.351 30 10 IEEE CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1616385304 CHRCZFTWQIDNRU-QVKFZJNVSA-N 428.468 2.127 30 10 IEEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CCCNC(=O)c1cccc(O)c1 1616783853 ORMSYAJBKBUJOO-UHFFFAOYSA-N 426.521 2.470 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1616924488 QLXZJBFDJSTMRD-GOSISDBHSA-N 447.584 2.296 30 10 IEEE CNC(=O)c1cccc(CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1618610408 DPORMFIPQDHDMF-QHCPKHFHSA-N 432.532 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623849841 KUUIEKWAHAFMOP-VGOFRKELSA-N 429.521 2.064 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncc4cc(Cl)ccn34)CC2)cc1 1625120995 BASCUJKDWAOSQG-UHFFFAOYSA-N 429.889 2.006 30 10 IEEE C#CC[C@H](NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1)C(=O)OC 1626187797 IZHLIWBAIOEWKA-MPGHIAIKSA-N 442.541 2.017 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1 1634460408 AHGUMNXWOJFETH-WIXQSORDSA-N 432.546 2.254 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 1637445244 ZUHYKSRCMFXGFN-RYUDHWBXSA-N 444.301 2.352 30 10 IEEE CCOC(=O)N1CSC[C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1644617369 CTBOLFAYRZIDAH-SFHVURJKSA-N 440.529 2.128 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1648820454 SOZOBSWXHHIUSL-YJBOKZPZSA-N 446.495 2.314 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1OCC(F)F 1649538287 BISOOGRQSTUKFL-QVKFZJNVSA-N 435.475 2.475 30 10 IEEE C#CCC1(O)CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1650951838 SXNMLDNQANVBDM-UHFFFAOYSA-N 428.348 2.378 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1651801754 IQVJZYBFOAWAAJ-IBGZPJMESA-N 427.526 2.323 30 10 IEEE CCCS(=O)(=O)N1CCC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1652295259 FCNSERDLNADMAD-KRWDZBQOSA-N 444.598 2.284 30 10 IEEE CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1CCN(C(=O)CC#N)CC1 1653647137 ZOCSHKGUGMNQNW-UHFFFAOYSA-N 443.529 2.086 30 10 IEEE C#CC[C@H](NCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)c1ccccc1 1653965635 VFESVAAPIXFXKR-HNNXBMFYSA-N 439.493 2.341 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 1657632092 LUVNNDUSKMXIMU-BPBCLYCFSA-N 429.561 2.104 30 10 IEEE CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1664302943 BXVKMKQEASUSPV-IBGZPJMESA-N 445.545 2.132 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1oc2ccccc2c1Br 1666566944 RQZOZGRSKKQRLB-NSHDSACASA-N 432.317 2.006 30 10 IEEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCCC)c(C(C)C)c2)CC1 1667521919 YESWLJVQAWIRPF-UHFFFAOYSA-N 435.590 2.045 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCCOCC)c(C(C)C)c2)CC1 1668807979 MTWGTEUTJXPDDE-UHFFFAOYSA-N 436.574 2.375 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)CCO2 1674055372 KGXZWBQKMJQIEP-MMPATGFWSA-N 440.544 2.323 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)NCCn2cnc(C#N)n2)CC1 1682388931 IJKZCRHWIMSRRR-INIZCTEOSA-N 431.541 2.409 30 10 IEEE CN(C)c1noc(CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1682469400 NQXWGLXQTGRNIK-KNVOCYPGSA-N 437.291 2.448 30 10 IEEE COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)NCC#CCN(C)C)c2C)c1 1687889135 NMWQOKAJIOANSQ-OAQYLSRUSA-N 425.533 2.146 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1689852247 CPRSWHUVHUOZLI-BZSNNMDCSA-N 431.537 2.390 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689980099 LOVCOQKYFKOCOK-PKOBYXMFSA-N 432.594 2.404 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1689996069 DIJWLUBPGSHENZ-SFHVURJKSA-N 432.594 2.203 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1690024248 XZDYHXYZTJRYDX-UHFFFAOYSA-N 439.604 2.354 30 10 IEEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1690377827 RXRRBGONPXTVQJ-UHFFFAOYSA-N 426.540 2.329 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1690527327 NFLVFDLSRPGKAS-CQSZACIVSA-N 435.554 2.417 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1690585978 BUFWYXGWBSPXNT-KKSFZXQISA-N 432.546 2.067 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1692577063 AHBMLCDHAUOLBL-QFBILLFUSA-N 425.480 2.483 30 10 IEEE COc1ccc(COCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697466444 WUXSXKRKQKZTGS-ICSRJNTNSA-N 427.505 2.126 30 10 IEEE COc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1697491196 BIISLCFYTIURFK-UWJYYQICSA-N 428.468 2.149 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn2ccccc12 1705585436 RWPUCBCEGPVGNP-UHFFFAOYSA-N 429.509 2.038 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1705595833 ICWXBVDIDFTWSQ-XLIONFOSSA-N 446.511 2.108 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCCC1 1705599211 WJGBEEXGFWRBQV-UHFFFAOYSA-N 446.603 2.401 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705749620 BVXNWIVTLMZFRA-KRWDZBQOSA-N 442.951 2.142 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705846493 IOPBOCZAWREIBQ-OALUTQOASA-N 441.559 2.108 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@]2(CCOC2)C1 1705908320 NQIVFYOZYVHXCE-HSZRJFAPSA-N 441.532 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705932613 WTHFOKUKZPVFCG-JKSUJKDBSA-N 436.607 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1705934185 DJMBVKNKFFDZQZ-HXUWFJFHSA-N 429.590 2.467 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705946025 XJECUIBSTVBLNX-IAGOWNOFSA-N 443.639 2.205 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1706820259 CBDVIDKPUAAAOT-YWZLYKJASA-N 433.919 2.404 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1708719024 FIWQKUKNAPIASK-QZTJIDSGSA-N 445.612 2.436 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)OC 1708808358 GVFMYEXARYAGDS-UXHICEINSA-N 440.548 2.458 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1710839001 PWUIWTMITGYXJI-UHFFFAOYSA-N 434.548 2.066 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@H]2C)cc1 1711884578 BXJNSNYXRJNRMS-MBOZVWFJSA-N 427.505 2.267 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C)OC 1712162010 QDHKSINYUJFARP-DSKINZAPSA-N 440.548 2.063 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1712459693 RAFTZUGJJKRRAS-NZQKXSOJSA-N 440.548 2.359 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1722291918 SKLDCXYTHNYFHK-CABCVRRESA-N 443.495 2.326 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1COCCO1 1722301860 DDMKBEQXDDAJMX-WMLDXEAASA-N 435.322 2.493 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722312586 GIUBHMNOZQGSTE-UHFFFAOYSA-N 439.608 2.468 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722318603 DBTRUCJVZYEQSB-LJQANCHMSA-N 440.573 2.334 30 10 IEEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1722328036 QHITUZUEKZGVTO-QGZVFWFLSA-N 429.496 2.408 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722412079 URBGDUGCWBPKQC-GBESFXJTSA-N 435.638 2.396 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(F)(F)Br)CC1 1722446360 TZELLRRGOSFGCO-UHFFFAOYSA-N 441.280 2.227 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722453717 ABDUBCRTLPTCDI-HXUWFJFHSA-N 438.557 2.422 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722481808 AYVWTYISXIJQDA-JKSUJKDBSA-N 440.386 2.380 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCN(C)C2)CC1 1722569619 HSURQPFWNZLBBH-QHCPKHFHSA-N 427.549 2.479 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CC1 1722582714 PODIYGQXCLVZPP-UHFFFAOYSA-N 449.552 2.434 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1722603477 JRHVXPYVVOTOAD-MSOLQXFVSA-N 425.599 2.450 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1722641252 YOWKEKJBJVVUFU-BHIYHBOVSA-N 449.552 2.491 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1722690490 JJXCOFIHOCGFMM-GOEBONIOSA-N 429.521 2.165 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)cc1 1722728913 ZNNFXUKGTLPOQT-GOSISDBHSA-N 434.562 2.418 30 10 IEEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1723875286 BACSJXRBRMYCMZ-FQEVSTJZSA-N 437.592 2.315 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1724009003 BAQDGARYBRTWOO-NQIIRXRSSA-N 434.610 2.422 30 10 IEEE COCCCN(C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1730692951 OXZQHZWUJZYGPQ-SFHVURJKSA-N 437.548 2.134 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1C 1730788254 BZIZMVOKEXWDAL-LPHOPBHVSA-N 446.502 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740652069 QSLSQJHOTQCDFQ-UHFFFAOYSA-N 445.527 2.058 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(CN3CCCC3)cc2)CC1 1740706045 QNPITDWTODUTTM-UHFFFAOYSA-N 434.588 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740767295 NPPUAUIVVURWLN-MJGOQNOKSA-N 434.585 2.426 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740878494 YGTMCAQLNKEYND-UHFFFAOYSA-N 431.548 2.470 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)=O)CC1 1740955239 ZSEUAHBPDCQQLH-HNNXBMFYSA-N 442.589 2.102 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1740965547 AODKZJNJSXMUSU-QGZVFWFLSA-N 435.532 2.349 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1741801959 IIIVRQJNTMYMBQ-WMZOPIPTSA-N 435.507 2.486 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1743383199 KDISFGXDHBMMEO-HJPURHCSSA-N 441.532 2.192 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CC=CCC1 1748842655 QVVDEPRUUKIMSI-UHFFFAOYSA-N 441.539 2.010 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749223008 OTHYFMCONNVLFD-HNNXBMFYSA-N 425.459 2.401 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C)C1 1749651234 QEDKGOICXBPIJD-IRXDYDNUSA-N 429.521 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1749656079 ZMVVAOHYIRSKGN-HOCLYGCPSA-N 427.505 2.262 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCOCC2)C1 1749718660 XVSPRTBUOFVUGE-HXUWFJFHSA-N 428.533 2.488 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1749756248 VODNJTYRSYZDDX-MSOLQXFVSA-N 440.635 2.352 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)(F)F)C1 1750377997 DNYWBMUANLQBLP-IBGZPJMESA-N 449.412 2.402 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCCCO 1750448314 SLVROEXCWDIFLM-UHFFFAOYSA-N 443.552 2.038 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1750791889 CHYGKOGNYUAGIQ-UHFFFAOYSA-N 446.577 2.046 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1751099832 KDIXUNSFABVANR-INIZCTEOSA-N 426.521 2.103 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(O)c1 1760175596 NEVFQCIKAAIWPX-SFHVURJKSA-N 427.505 2.410 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1760235848 ZAZLVWXYPHEACC-ROUUACIJSA-N 433.553 2.473 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760276954 VAGUJDPQBIDICS-INIZCTEOSA-N 437.928 2.055 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOCC1 1760324304 JMLFCVLDNUNKBU-IFMALSPDSA-N 426.565 2.014 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2ccco2)C1 1760524999 QCQIJIYXKKRYCB-HXUWFJFHSA-N 437.500 2.351 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)C1 1760543452 PEFYBACJGYQKSQ-PKOBYXMFSA-N 432.546 2.018 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1760692673 CBLVEMJZZDEUAG-HZPDHXFCSA-N 437.504 2.385 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(C#N)o1 1761871930 AUMHIICDQSJYLD-OAHLLOKOSA-N 434.504 2.125 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1764563986 XRSRCNGBHRVNQD-IBGZPJMESA-N 437.548 2.084 30 10 IEEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1768838055 CYDNVGYTVVYAOK-MRXNPFEDSA-N 438.504 2.332 30 10 IEEE COCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1769325995 LETKJABBTATDCX-GOSISDBHSA-N 442.476 2.025 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2csc3c2CCOC3)C1=O 1854224867 OPYYVBLCCITATL-MSOLQXFVSA-N 431.558 2.061 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c(O)c1 1862740472 DNKNJMRTDIREBJ-GOSISDBHSA-N 427.413 2.146 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862754650 OXZJONINTHQNAU-PIGZYNQJSA-N 427.369 2.462 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CC)nn2CCC 1864327239 QRIFEPMMZUHILZ-SFHVURJKSA-N 426.517 2.223 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 1864333265 WBKFFDISTZMSED-QGZVFWFLSA-N 442.516 2.395 30 10 IEEE Cc1ccc(CC(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1870110280 KGUKQUBAWZEXPQ-UHFFFAOYSA-N 434.412 2.462 30 10 IEEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2cc[nH]c2c1)N1C(=O)c2ccccc2C1=O 1870142758 KWQOGGYYIJJWPP-LBPRGKRZSA-N 425.408 2.243 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1=O 1872918310 YJOJKMVZVPDPHE-CQSZACIVSA-N 434.880 2.460 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC3(CC1)OCCO3)n2CCOC 1873558262 OAJGXWHGEUDUAI-UHFFFAOYSA-N 441.532 2.235 30 10 IEEE CCN(CC)c1cccc(OCC#CCNC(=O)C[C@H]2CSc3nccc(=O)n32)c1 1890254213 MWQMVVVDBWSOEV-SFHVURJKSA-N 426.542 2.325 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1991989473 IOKIUJDIYRHVAC-FQEVSTJZSA-N 425.526 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634790 DNGJRKRSIYVTBV-IAGOWNOFSA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060635501 MJYBLUHIMCGZRW-NVXWUHKLSA-N 436.358 2.394 30 10 IEEE C#CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(Br)c1=O 2106011835 CPGPIJUAFIFDIK-NEPJUHHUSA-N 429.290 2.398 30 10 IEEE CN(CCc1nc(=NCc2occc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1)C(=O)OC(C)(C)C 2128841304 JSBNUHXKKNNXSO-UHFFFAOYSA-N 447.345 2.140 30 10 IEEE N#CC1CCN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)CC1 2174785358 YEYVERMUSCMQPB-HSALFYBXSA-N 432.546 2.246 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2247903690 IQAGRMRMSOAFRU-STQMWFEESA-N 440.293 2.035 30 10 IEEE CC1(C)OB(c2cc(F)c(C(=O)NCC(=O)NCc3ccccc3)c(F)c2)OC1(C)C 2255541502 CMJXAWORMLYYFA-UHFFFAOYSA-N 430.260 2.310 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255626193 CEQCJJRAFKYBHF-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2255657695 SPGHASPSNQVWPP-PBHICJAKSA-N 431.342 2.395 30 10 IEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)o2)OC1(C)C 2255705653 YHPWCBODSSPVST-SFHVURJKSA-N 426.322 2.210 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255706750 NNWYGPQODQEKKA-DGCLKSJQSA-N 430.232 2.108 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255823686 XQGJIONEDMVCSM-HOTGVXAUSA-N 432.326 2.390 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256677031 UQDXCWMWIJZOAJ-UHFFFAOYSA-N 435.374 2.233 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCCCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090810 FQLRLJGNMSRCPV-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2267267643 YQXQXMOUFHBPQX-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)c(F)c2)OC1(C)C 2267506095 RZPVYYWORQZMEH-QZTJIDSGSA-N 437.324 2.380 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2267521576 QGEOKEGECVOYDB-FVQBIDKESA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1 2267611075 NZUXUFUAIKAHMP-GOSISDBHSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@H](O)C1 2317154778 PBSHWYYJPIYMAZ-ZWKOTPCHSA-N 429.326 2.250 30 10 IEEE CCOc1c(Br)cc(C=Nn2c(CC)nnc2SCC(N)=O)cc1OC 2320988232 SKGKXSFJQYXGEA-UHFFFAOYSA-N 442.339 2.470 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ccc(C#N)c(Br)c1F 2333604949 UQGNEFBXSUNHOQ-ZOWXZIJZSA-N 430.274 2.213 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCCC)cc3)cc2C1=O 31164924 CHNZJLRZSMAGFA-UHFFFAOYSA-N 427.482 2.409 30 10 IEEE N#Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCOCC3)no2)cc1 65076045 SWJGQKBAJVFJPE-UHFFFAOYSA-N 429.440 2.269 30 10 IEEE CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 109592226 HDKXPTRTWCPTKY-SFHVURJKSA-N 430.549 2.062 30 10 IEEE CCOc1cc(/C=N/NS(=O)(=O)c2cc(OC)ccc2OC)cc([N+](=O)[O-])c1OC 169903794 FQHLXVASLOVOGJ-YBFXNURJSA-N 439.446 2.332 30 10 IEEE C[C@H]1CCCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)C1 301263172 SSSJPEMAGSMCBY-KRWDZBQOSA-N 426.546 2.095 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC1CCC(C#N)CC1 441143912 IVIXLSNRVBEBIJ-PMTKGXAQSA-N 435.546 2.207 30 10 IEEE CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cs1 482450142 LUWLFKSYNAGOMQ-ZIAGYGMSSA-N 436.559 2.438 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc(OC)c1OC 505546189 COSGAAHMRAUPFQ-HOTGVXAUSA-N 433.530 2.485 30 10 IEEE CCc1ccccc1NC(=O)CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513791880 WNCLHJFPMGCNNV-UHFFFAOYSA-N 440.569 2.151 30 10 IEEE CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1 524938109 NCFHGKIDZLQLFP-PKOBYXMFSA-N 443.573 2.476 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)nn2)cc1 531528158 XGVCCKHXPLWUKW-UHFFFAOYSA-N 433.516 2.421 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)n1 553166180 NRAVHBQOOOAMFE-NXHRZFHOSA-N 426.908 2.393 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 558681728 YULDVQHEEXBREU-UHFFFAOYSA-N 428.510 2.134 30 10 IEEE Cn1ccnc(N2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1=O 582211411 LWPIGVCJTGQMGZ-UHFFFAOYSA-N 431.456 2.193 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 603876544 BHIBWTUGEHNIGH-GOSISDBHSA-N 435.484 2.083 30 10 IEEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609731412 NUGQRAVSXKOGMU-SFHVURJKSA-N 440.887 2.471 30 10 IEEE CSc1nc(O)c(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1C#N 611668698 TWFBNITUSNTUHJ-HNNXBMFYSA-N 432.527 2.427 30 10 IEEE C[C@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccoc2)c1=O 727417629 NZAAZGQRRREKEZ-CQSZACIVSA-N 425.535 2.299 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C[C@@H]2CCCO2)C1=O 730140978 YIKQHUMSDWQFQH-YOEHRIQHSA-N 440.516 2.143 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)cc1C#N 747499254 YCFFHBDGZYUJLS-UHFFFAOYSA-N 430.892 2.416 30 10 IEEE CO[C@@H](C)c1noc(CN2CCCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)n1 749980580 VLXZWGUQQAVTSU-INIZCTEOSA-N 436.520 2.381 30 10 IEEE C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 754402332 IFCUYMPLROAQNM-LYLVPTPKSA-N 431.514 2.398 30 10 IEEE CCc1nn(C)c(OC)c1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C#N 763466253 JPYCZHQHRSRYAP-KRWDZBQOSA-N 440.529 2.131 30 10 IEEE COC1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 763717539 ZEMGUAOWMYBXJR-UHFFFAOYSA-N 426.477 2.494 30 10 IEEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766415232 KQIMNBPJZOHZDR-SFHVURJKSA-N 444.536 2.124 30 10 IEEE Cn1cc(C=c2sc(=CC(=O)C3CC3)n(Cc3ccccc3C#N)c2=O)c(C(C)(C)C)n1 769661827 WBGJISYQQOQOGE-UHFFFAOYSA-N 446.576 2.449 30 10 IEEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)Cn3ccnc3C#N)C2=O)cc1 770643203 GOCZFFJCRVALGK-WJDWOHSUSA-N 425.470 2.006 30 10 IEEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 781656565 AOPYEXZJKUMADC-UHFFFAOYSA-N 431.521 2.088 30 10 IEEE C[C@H]1CN(c2ccc(C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 787054800 XIZWZRSXEHJNBY-ZRGWGRIASA-N 437.456 2.242 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C)n(C)n1 790001469 LOWPRDAOFWQKRK-LJQANCHMSA-N 442.589 2.237 30 10 IEEE C[C@@H](C(=O)OCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)n1cnc(C#N)n1 798743939 FZCFZMUJLGBGLD-QMMMGPOBSA-N 426.746 2.102 30 10 IEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 800772966 WQAULFCZVPSCGS-IBGZPJMESA-N 445.999 2.411 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H]2CCCO2)CCN1C1CC1 802681249 AQTHTQGACKZPCM-LQWHRVPQSA-N 436.516 2.146 30 10 IEEE COc1cc(OC)cc(S(=O)(=O)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 805931302 HAKAZUBLHLIIKT-CQSZACIVSA-N 433.461 2.046 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 812182058 BAHYPAIGGHJNBW-SJORKVTESA-N 448.568 2.254 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1130101551 ZHMMEAVXNLMGEV-QGZVFWFLSA-N 445.541 2.031 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1149468837 KEEMMNCWIFGWRJ-UHFFFAOYSA-N 448.932 2.073 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)(c2cccc3ccccc23)C1 1164027488 PRIWDIXUYSEFIC-INIZCTEOSA-N 435.505 2.108 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C)C1CCOCC1 1197641843 DWCHMJIRRUOOPE-LJQANCHMSA-N 448.589 2.477 30 10 IEEE N#Cc1cn(CCNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=O)nc1O 1222313940 GXGQVEFNBUVSQD-NXEZZACHSA-N 441.332 2.029 30 10 IEEE CN1CCn2nc(C(=O)N3/C(=N/Cc4ccccc4)SCC3(C)C)cc2S1(=O)=O 1264022319 ZYYOFOOUAMPKIY-ZZEZOPTASA-N 433.559 2.041 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1286289627 MHFVSIOMMFBYSN-KRWDZBQOSA-N 449.559 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1286291783 YGWQBSJNUSXXPE-OAHLLOKOSA-N 447.474 2.263 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286350498 FYFTZYWHMQWAGH-UHFFFAOYSA-N 432.576 2.350 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCCC1 1286369371 NSZVBYKKBVOWRI-HXUWFJFHSA-N 433.560 2.382 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286510388 QYKHHQVRTHKBRZ-GOSISDBHSA-N 448.614 2.409 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCCNS(C)(=O)=O 1286528890 PBXGPOLAJMPQTB-JOCHJYFZSA-N 445.589 2.351 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286758796 VDUFKMMIEZWFHA-OKYOBFRVSA-N 435.594 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccon1 1286820283 ITVYKFQADSPWPS-SFHVURJKSA-N 445.501 2.016 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293066167 ADOZQVHBDLEIPG-QURGRASLSA-N 435.532 2.084 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1297759153 BGEZORPZPJKASN-JKSUJKDBSA-N 448.618 2.476 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)c1cc[nH]n1 1299367534 XYQIOQDFBUUQCD-HXUWFJFHSA-N 426.473 2.074 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)NCC)CCC1 1300322514 SLVNDWNXILHMOY-HNNXBMFYSA-N 428.562 2.034 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)CN(C)C 1300535645 LBRRTKSQBPYFJJ-UHFFFAOYSA-N 434.592 2.113 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300548438 JDSYBWBOCCIMCN-NHCUHLMSSA-N 446.555 2.301 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(F)c2)CC1 1300685246 KEDRPHPTKKQUHN-HSZRJFAPSA-N 427.524 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1300715873 HCJDVDOOVSGDQM-UHFFFAOYSA-N 438.601 2.154 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1300763467 PXEUHERVBJPTEP-IBGZPJMESA-N 425.558 2.111 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300767452 YNANMXPXVXJZBQ-MRXNPFEDSA-N 445.618 2.041 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCOC 1300789650 SKBBTZZCXVOION-YADHBBJMSA-N 446.573 2.128 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300843826 JXKRSIIOBONHRR-HZPDHXFCSA-N 426.359 2.385 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1300897024 MWZWAKGCJYQAOL-GBPOLFSSSA-N 448.564 2.301 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301056699 HFYAYGXWUALRGF-QGZVFWFLSA-N 439.969 2.436 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1301509210 CHDUGTZAFXSCGB-UXHICEINSA-N 441.580 2.085 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1c(OC)cccc1OC(F)(F)F)c1cc[nH]n1 1302666665 JZPOCTYMZVNGRF-UHFFFAOYSA-N 430.339 2.239 30 10 IEEE COc1c(F)cc(CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1S(N)(=O)=O 1302873616 ARTRUPXXZUVISJ-KRWDZBQOSA-N 445.394 2.316 30 10 IEEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cnn1CC(C)C 1304118511 XSJZFITUGAXJRM-WBVHZDCISA-N 433.582 2.128 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1305547519 FTVWMSQPPCFNTJ-GVDBMIGSSA-N 425.541 2.021 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1313546717 AVBIFHWYICJWLC-UHFFFAOYSA-N 430.516 2.017 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1314510522 YDLLTTUIHHBVPA-UHFFFAOYSA-N 440.529 2.180 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(F)CCC2)c1 1316336898 OFKSVSHMIAZLEC-MRXNPFEDSA-N 433.509 2.360 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1358891092 ZGYYOHCBHYTUSM-AEFFLSMTSA-N 438.557 2.087 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358934525 DTVTYZAKBHEKQR-UHFFFAOYSA-N 447.543 2.474 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358953030 IGHDWVUBHFQRQS-OAQYLSRUSA-N 438.576 2.178 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)NC 1359016354 ZQRGKPMCOCZNHU-UHFFFAOYSA-N 431.493 2.175 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](COC)C1 1359059974 GFGALTOLABRXKT-IBGZPJMESA-N 425.558 2.499 30 10 IEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1359202173 LMQYOKIRRHAQTR-MRXNPFEDSA-N 435.532 2.343 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359202501 VOCHQGIHJJEVAS-SFHVURJKSA-N 429.569 2.313 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359211650 KIHAEWNTKCNRHP-MRXNPFEDSA-N 426.521 2.485 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1359271402 TVLNASOJMAPNLF-RTBURBONSA-N 440.548 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)C1 1359319876 HQXZZJTUTCTVPA-MOPGFXCFSA-N 427.553 2.220 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCN(C)C 1359850495 VTHSDYLUQWWKII-UHFFFAOYSA-N 443.571 2.392 30 10 IEEE CC(C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1359912033 KEFCELGODLTNMW-UHFFFAOYSA-N 436.564 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CCN(C(=O)CC#N)CC2)(c2ccccc2)C1 1445689235 MEXKQVDOMIUYOW-QHCPKHFHSA-N 426.517 2.150 30 10 IEEE CCN1CCN(c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2F)CC1 1455084277 GVDSHIRASUBMJM-UHFFFAOYSA-N 444.532 2.393 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC1 1455115363 ONCBDBSATKNGOK-UHFFFAOYSA-N 439.581 2.090 30 10 IEEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC 1455841255 SGJODDHPUZWMNG-JTDSTZFVSA-N 438.546 2.112 30 10 IEEE C[C@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(C)(=O)=O)cc1 1458004549 VVVUIKKISATOFR-AWEZNQCLSA-N 430.482 2.098 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 1459849582 WLQZDJGJFOFLDP-INIZCTEOSA-N 434.496 2.324 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 1463746723 QVCPVCMXFITTBT-OAQYLSRUSA-N 428.510 2.125 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1464305309 VFFWWRJPBTZPDD-HZPDHXFCSA-N 442.628 2.093 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 1466679837 IEBFQNDCICZHDP-PKOBYXMFSA-N 447.557 2.428 30 10 IEEE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1468108706 JWCDAZRYNBNWTL-GFCCVEGCSA-N 437.333 2.255 30 10 IEEE CC(C)C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C(=O)N1CCOCC1 1470612141 BNVORRPMEADXSK-FQEVSTJZSA-N 427.549 2.053 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cc2OC)CC12CN(C(=O)OC(C)(C)C)C2 1472079375 UHSOPQQARZYLAE-INIZCTEOSA-N 429.473 2.049 30 10 IEEE O=C(c1ccccc1S(=O)(=O)C(F)F)N(O)CCCN1C(=O)c2ccccc2C1=O 1472619053 UJKHKLQWODTHDN-UHFFFAOYSA-N 438.408 2.201 30 10 IEEE CC#CC[C@@H](CO)NC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1477317473 UMGYGIBWGLUBKS-SFHVURJKSA-N 426.483 2.291 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1Cc1ccc(C#N)o1 1496788745 PFBKRFABGWXPIN-RDJZCZTQSA-N 425.537 2.382 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCC[C@H](O)C1 1504886259 BMCKCIIHOLVUSV-ICSRJNTNSA-N 437.548 2.434 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2cccnc2)nnc1N1CCC(F)(F)CC1 1505353751 KPXPGHQSJKPBBP-HNENSFHCSA-N 443.458 2.026 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1OC 1507648476 OEBZTNLAUQYBDJ-YLJYHZDGSA-N 430.512 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[C@H]2OC)CC1 1507740460 UFEJPRPLIKMTGC-NHCUHLMSSA-N 436.560 2.045 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1508092701 GAIFZTYWMNSXQC-UHFFFAOYSA-N 433.940 2.258 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)C(C)C)C1 1508127518 VKILCHZAOCBHPR-YLJYHZDGSA-N 441.532 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1508142338 STRCNKAUIVMBBT-MRXNPFEDSA-N 437.591 2.489 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508167473 KRFHAFRLNTZCEP-YLJYHZDGSA-N 445.637 2.216 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1508433845 QHBSDLWVULMFBC-WNRNVDISSA-N 448.568 2.450 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(c2ccccc2)CC1 1510187962 BCYFWWHSHAMDAY-MGPUTAFESA-N 432.525 2.062 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCN/C(O)=C1/N=CC=CC1=O 1511285086 FJKSCGFYKFBYDV-XGNMISCSSA-N 433.516 2.300 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCSC1 1516810760 BGCFIFFARLGZPD-INIZCTEOSA-N 435.575 2.105 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)c1 1518050080 DXBXQYREHCSRNZ-UXHICEINSA-N 426.521 2.031 30 10 IEEE N#Cc1c(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)ncc2c1COCC2 1525914078 UAXDZDHDUFWDGT-UHFFFAOYSA-N 426.498 2.137 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 1534662399 HEFFDJXIKAVHEO-ZIAGYGMSSA-N 434.459 2.491 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@H](F)C2)c1 1539042576 INNGYLSSRJQODH-LNLFQRSKSA-N 438.507 2.424 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1539223175 ZKCMMNRVSHSYSD-CABCVRRESA-N 443.367 2.055 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOC(F)(F)F)CC1 1539430765 NJMQPJFOBSJWFP-IBGZPJMESA-N 445.486 2.000 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)OC(C)(C)C)CC1 1539453604 ARQHJKHTPSCEEF-UHFFFAOYSA-N 430.578 2.210 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1539526127 JQIUYXMYFBOPKF-CNNODRBYSA-N 444.605 2.279 30 10 IEEE CN1CCN(c2ccc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1 1540572024 QUGJTLWJLIUUQJ-UHFFFAOYSA-N 427.549 2.422 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(I)cc3N)CC2)c1 1540582907 AOGXSPTWYPAIKW-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE COc1cc(/C=C2/SC(=O)N(CCNC(=O)C#CC3CC3)C2=O)cc(OC)c1OC 1540611058 BDMGRPCOMKFCOF-SFQUDFHCSA-N 430.482 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1540869285 IAPUBGXIPQRNGU-KRWDZBQOSA-N 449.559 2.367 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)cc1 1540871969 YTCDOXVOVJESHR-HNNXBMFYSA-N 434.338 2.483 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)NC)c(Cl)c2)s1 1542184481 DGHVKPOSGFYOIK-UHFFFAOYSA-N 427.935 2.407 30 10 IEEE CC[S@](=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1552453075 GQXRSPUARPHMQE-JZSBVZHHSA-N 438.598 2.413 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1554371940 CFTVZYWZYSVYHR-QFIPXVFZSA-N 436.495 2.345 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1557242503 BKABFVQDUCRYBZ-MSOLQXFVSA-N 430.505 2.052 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@]3(C4CCCC4)CCNC3=O)c(C#N)c2N)cc1 1566186720 OZUQJRJWLQFFIY-DEOSSOPVSA-N 434.544 2.380 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCc3nncn3CC2)CC1 1585535135 SWGWCKOYGHENBJ-SJLPKXTDSA-N 443.349 2.402 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(O)CCO[C@H]2C)c1 1587692479 FQNMAHYPKMKKCT-SBUREZEXSA-N 425.533 2.073 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1587765715 JEXPTIBIMRMFBT-JTSKRJEESA-N 446.548 2.221 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1588058736 BIFLVLGBKMRHIS-FQEVSTJZSA-N 444.601 2.379 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588069481 OVIONCROUZMMRO-GOSISDBHSA-N 444.557 2.293 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@H]1C 1595275945 TXMHYILJSHEJMZ-SCLBCKFNSA-N 440.342 2.214 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2C[C@@H](C)O[C@H](C)C2)CCOC1 1596792369 VXAVZRGUOAFDIT-URFJDIBFSA-N 448.612 2.414 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1615093150 AVEBOZCYAHZSTE-HNNXBMFYSA-N 449.481 2.368 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1617907702 HXLDEJJYOSGHTA-KRWDZBQOSA-N 433.520 2.132 30 10 IEEE C#CCN(C(=O)Nc1ccc(S(C)(=O)=O)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1622869137 BYUGMJNYBGVTKL-UHFFFAOYSA-N 436.534 2.352 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(S(N)(=O)=O)sc2C)C1=O 1626593072 UCRJDWAYNVTJCJ-QGZVFWFLSA-N 430.552 2.020 30 10 IEEE N#Cc1c(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)nc2n1CCOC2 1627628182 OKYDNAFQCBGDIN-UHFFFAOYSA-N 439.169 2.050 30 10 IEEE CNC(=O)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 1628388520 MQAFYLLBBHCTEC-KRWDZBQOSA-N 446.429 2.028 30 10 IEEE CC#CC[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1628508474 RRFVBNDMEQFHGC-ROUUACIJSA-N 432.521 2.246 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F)C(=O)OC 1629617114 GYZXOHRQEURDOK-AUUYWEPGSA-N 444.484 2.260 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)ccc1F 1630810593 HCSPGIFGMLXDMA-GOSISDBHSA-N 445.516 2.069 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cc(-c4cccc(C#N)c4)no3)C2=O)cc1 1634860043 HNULXDJSYUXQNQ-QFIPXVFZSA-N 431.408 2.334 30 10 IEEE C=CCCC[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1634885259 SVLOAZNQVIAJJO-FQEVSTJZSA-N 447.557 2.428 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2sncc2Br)ccc1F 1635620566 HJEDLPZNRUQKPI-UHFFFAOYSA-N 434.312 2.439 30 10 IEEE C#CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@@H]1CCCc2ccccc21 1635884704 MUEPEBHMKFAMSX-FGZHOGPDSA-N 435.499 2.268 30 10 IEEE C#C[C@H](NC(=O)NCC(=O)NCCN1CCCCCC1)c1ccc(Br)cc1 1636563125 SUAPCVYAGPXHLH-SFHVURJKSA-N 435.366 2.415 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@H](c2ccccc2)C1 1639203800 OXASKENEETZHGQ-PMACEKPBSA-N 440.569 2.313 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1 1644926205 KNMANXJFZFXQQA-GCJKJVERSA-N 447.557 2.260 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(C#N)CCCCC3)CS(=O)(=O)[C@H]2C1 1645582573 YYALSVXBYLEZJE-ZACQAIPSSA-N 439.578 2.247 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1651505992 KXQSOJMVCYPGBF-GUDVDZBRSA-N 449.592 2.458 30 10 IEEE CO[C@@H]1COCC[C@H]1N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1654651456 WHQZFMDKTTVRNZ-ZLGUVYLKSA-N 430.549 2.092 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C(=O)OC)CCCC1 1666115968 DMKZRZXEFZIYKK-UHFFFAOYSA-N 442.578 2.384 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 1673022037 LDEFLJDXPZWCHI-KRWDZBQOSA-N 436.578 2.213 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)c1ccc(Br)cc1 1683512332 KJBFPQFFBQPTGL-RHSMWYFYSA-N 442.379 2.436 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689882507 CDQOSISWWZEYLU-OAQYLSRUSA-N 432.528 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(Cl)cccc2OC)CC1 1690112483 YRFMMKVZOAMPJV-QGZVFWFLSA-N 447.967 2.468 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CC2)CC1 1690136187 AOHSZVKULHLAHJ-INIZCTEOSA-N 441.507 2.048 30 10 IEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690227880 IXZXODSRUGPKQH-SFHVURJKSA-N 437.342 2.269 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690240356 FDYMRLGDMOLIKH-LNLFQRSKSA-N 449.577 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccco1 1690246151 RKPGNICSDYJXKR-QRFRQXIXSA-N 429.521 2.456 30 10 IEEE C=C(C)Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1690298451 YPSGSQSVDYTKLX-IBGZPJMESA-N 445.486 2.401 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NCC)CC1 1690504031 WHYXJAUXGHJMIE-UHFFFAOYSA-N 442.520 2.118 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@H](C)C1 1690621820 AUFMQIGIOKOAED-KZNAEPCWSA-N 426.583 2.024 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCN(CC)CC2)C1 1690693901 HUGHWEHLYKUACT-FQEVSTJZSA-N 427.597 2.093 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N(C)C1CC1 1690995158 DSAPJWAOSIVGIR-CVEARBPZSA-N 430.578 2.427 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1691003435 GYQZTAMDELGPLW-XLIONFOSSA-N 440.548 2.497 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1692734092 AAEZBDSJCMCOIJ-OPYAIIAOSA-N 442.539 2.491 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)C(C)C 1698248126 OOCUSZIIZOKNFK-NPPFBWRTSA-N 432.569 2.294 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(CC)c1 1705500370 MEFMBQRYQVITAO-NRFANRHFSA-N 446.603 2.365 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705565871 JSAQFJGFWFPBPW-RBUKOAKNSA-N 445.589 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1705596851 OTHURSQKHANFTI-LJQANCHMSA-N 447.539 2.441 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1705612370 FUCYAVOJTDDNQD-IEBWSBKVSA-N 427.574 2.091 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1705613878 RYYHTWAERBCORK-MRXNPFEDSA-N 428.541 2.029 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2CCOC2)CC1 1705636555 OSAKQMYONNBRAI-GOSISDBHSA-N 425.533 2.144 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705687242 AYVWTYISXIJQDA-HZPDHXFCSA-N 440.386 2.380 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705736287 PWIIYTCWNJZSNN-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705751160 BSUSCMSUOOAAJN-OAHLLOKOSA-N 427.958 2.066 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705805396 GJODNYLYAZTXGP-SFHVURJKSA-N 431.562 2.272 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1705834946 WQCHCDSLTSGGLI-LSDHHAIUSA-N 444.602 2.014 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OC)C1 1705941258 FBAYXJGQQROVIX-SFHVURJKSA-N 426.550 2.455 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1706353036 GNJAQUJHUFMONF-FQEVSTJZSA-N 440.548 2.458 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1706753320 AGZXAMCAMYEKGK-CQSZACIVSA-N 427.509 2.042 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1709444428 VZSRHMCUMNNWLZ-HSZRJFAPSA-N 432.532 2.484 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709444541 FEYYLUVNROJWJZ-XMMPIXPASA-N 446.559 2.480 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1712274578 CECPQYSLANUPQD-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1722367767 XRGRNSZPDIAHGS-SFHVURJKSA-N 434.537 2.060 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722372431 WPLINNKCQWVCQT-SFHVURJKSA-N 446.548 2.248 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1722381924 WDGHULGTNZOBNS-SFTDATJTSA-N 446.555 2.148 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1722388212 RGPYKMUKFWLAAL-MSOLQXFVSA-N 431.537 2.084 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OCC)c2ccccc2)CC1 1722429167 HWTMWSNOXCJYBA-OAQYLSRUSA-N 436.560 2.047 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722482238 GOYNTWYUZINLNZ-HOTGVXAUSA-N 437.342 2.101 30 10 IEEE C=CCCOCCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1722627921 SYIIAFAGUQIXSN-QGZVFWFLSA-N 427.615 2.276 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1728261016 GRYXDZQZYBOGST-UHFFFAOYSA-N 444.543 2.012 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1729999205 DYLLBDTUHPDYTI-HOTGVXAUSA-N 433.896 2.141 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740627377 PRMIEMAIYRROJE-HKUYNNGSSA-N 430.574 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](COC)C1 1740993393 ZSWNGRCWEUJMDI-SFHVURJKSA-N 436.553 2.472 30 10 IEEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)n1 1742892487 CGARSSOOHALUBP-UHFFFAOYSA-N 448.531 2.446 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCc1ccccc1 1744689239 QGPIJSQTKYKRLF-UHFFFAOYSA-N 434.548 2.298 30 10 IEEE CNS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1748290761 FBWRUQDPICWNNU-KGLIPLIRSA-N 440.957 2.359 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1748309238 ABKSWOFIEPTPFI-MRXNPFEDSA-N 449.458 2.400 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748808897 IKUGJZNWEPHTGG-VQTJNVASSA-N 441.601 2.365 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748824565 QHRGNXGNIGLVDZ-PKOBYXMFSA-N 432.521 2.252 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)NC 1748876768 SIJVXTDROHEPNB-UHFFFAOYSA-N 432.297 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1CC 1748907403 UNIRGULYIDELFY-AVRDEDQJSA-N 438.576 2.372 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccn(CC)c2=O)CC1 1748993001 MIYOGCLDJVAVIZ-UHFFFAOYSA-N 430.556 2.162 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCNS(=O)(=O)CC 1749071777 RCKUCWHQELEDHL-JOCHJYFZSA-N 429.590 2.499 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1749089652 BSJRFAWQKLVWJH-LBPRGKRZSA-N 428.298 2.425 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749135553 FZNXSFPMXUBBFH-HIUFNZKISA-N 444.580 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1749135554 FZNXSFPMXUBBFH-IIZPIQPGSA-N 444.580 2.361 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749230256 VYMFBVUXTMZFLC-IBGZPJMESA-N 441.532 2.043 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21)C1CC1 1749508278 NAPFUIKVICVFDR-HNNXBMFYSA-N 429.550 2.093 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@H](C)C1 1749665933 DBCJVLNKFWEMNM-HZPDHXFCSA-N 445.593 2.023 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)CCCO1 1749965552 DOHTWCXNQYCYHX-IVZQSRNASA-N 442.520 2.106 30 10 IEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1760143629 MJAQRASSBGPYJS-UYAOXDASSA-N 431.581 2.471 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1760145933 YLNRLROCJQRKRH-IRXDYDNUSA-N 448.568 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1(=O)=O 1760165760 DJCPXJJWOGJMJV-CYBMUJFWSA-N 426.340 2.072 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(I)cc1 1760176271 FIVOZPGLXXFINI-UHFFFAOYSA-N 449.296 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)CCOC 1760211704 LASVJNBZAJIKIH-HXUWFJFHSA-N 448.365 2.297 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCOC2CCOCC2)CC1 1760266351 WQTVZUHNODLEFB-SFHVURJKSA-N 431.581 2.343 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1760327864 NCWZIZZQGDXFLA-ROUUACIJSA-N 439.626 2.322 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760446051 FQVBNJPOZMXOKP-AEFFLSMTSA-N 442.476 2.381 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760569420 OAORJPCBQGGDFJ-ZIAGYGMSSA-N 449.558 2.303 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNS(C)(=O)=O)CC1 1761546822 JFCABHNTIUBQRS-UHFFFAOYSA-N 434.541 2.077 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)C1 1764508128 CHKCWDPNWUKUKC-VQTJNVASSA-N 440.548 2.221 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1769386732 COUKSBHFILBQJA-AVRDEDQJSA-N 425.489 2.012 30 10 IEEE COCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769656687 USDGBSDCSMILAO-UHOSZYNNSA-N 446.577 2.058 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCc2ccncc2)cc1 1770738213 GQSQJLHGFDHBKE-HXUWFJFHSA-N 445.527 2.458 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1NC(=O)CC1(C)C 1771110770 VTMKIKAEUAPSBD-HNNXBMFYSA-N 431.928 2.275 30 10 IEEE N#Cc1cccnc1C1CCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)CC1 1849617482 KUEVZHVOEWSHAB-QGZVFWFLSA-N 439.541 2.018 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3c(F)cccc3I)CC2)n1 1852261777 QYGIJGCDDNLFPT-UHFFFAOYSA-N 437.216 2.054 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H](F)CC(F)(F)F)C(=O)C3)C2)cc1 1854214277 HBAXVWZHNVROCB-DLBZAZTESA-N 426.414 2.094 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OCC)cc2)cc1 1858969529 PJYABSLUMIJMHX-UHFFFAOYSA-N 445.541 2.161 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(=O)O)cc1 1862629038 MKTDQOBCRSSSHH-ADLMAVQZSA-N 425.393 2.073 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCNC=O)cc1O 1862679075 ZQASVSVLJJEKBH-IBGZPJMESA-N 428.416 2.254 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862745452 JGFPWQBZBJBVHM-KRWDZBQOSA-N 443.368 2.433 30 10 IEEE C#CCOc1cn(CCCN(CC)CC)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870561921 JDSCRENZIFRFQH-UHFFFAOYSA-N 437.588 2.309 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2ccccc2)[nH]1 1871598909 PFDXXKWSARTMGM-UHFFFAOYSA-N 432.488 2.292 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874306767 OHTLMWFDUBHSKB-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE N#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1891422451 HDTHBWPNZKCRLN-QGZVFWFLSA-N 448.479 2.147 30 10 IEEE C#CCOC1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3OC)cc2)C1 1892118077 PICFBJFAWBJTPV-INIZCTEOSA-N 444.509 2.015 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993457685 VJYWIVPHEBNYLH-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CSc2nnnn2C)nc1-c1ccccc1 2084270739 FVBXFRICILARKF-LBPRGKRZSA-N 428.499 2.479 30 10 IEEE CC(C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2243419207 SZFMYHAZKQVYLJ-UHFFFAOYSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247825588 GUDMNCRVTITDBB-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE C=C(CS(=O)(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)B1OC(C)(C)C(C)(C)O1 2247901400 KCZLEMFHHMITBL-HOTGVXAUSA-N 442.387 2.206 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255643169 PYWSTICFQIINKU-OKILXGFUSA-N 449.382 2.381 30 10 IEEE C[C@@H](CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255649857 MJPZMIDPAMLQDY-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256678643 PEFSYQMYSUGBBY-CYBMUJFWSA-N 438.305 2.197 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256680561 YTOQFHDUQLLZHJ-IXDOHACOSA-N 434.342 2.411 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2259163995 MEBOQBLBAINBSZ-QGZVFWFLSA-N 435.374 2.374 30 10 IEEE COCCOCCN(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267128550 YMFAKCCMLCQBAW-UHFFFAOYSA-N 443.353 2.025 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267138594 WFGONEJSHZBWNW-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2267142433 UFSHYRIYXPZTIL-RBSFLKMASA-N 446.357 2.084 30 10 IEEE Cc1c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267147209 SSHOYAPEFVVVBU-GASCZTMLSA-N 448.373 2.061 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)n1 2267148782 DOPGKEXZLMFYON-SHTZXODSSA-N 448.373 2.235 30 10 IEEE Cc1cccc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267237327 NRFJAKRGIJFESW-DLBZAZTESA-N 446.353 2.316 30 10 IEEE Cn1cc(C(=O)NCC[C@]2(C)CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267501178 UFCMRGDXVNZFLI-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268634757 KEHMMAMZOWWUGK-OAHLLOKOSA-N 447.341 2.203 30 10 IEEE CCn1c(N2C[C@@H](C)O[C@H](C)C2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314426016 HNWMBFOBDCOHFJ-VXGBXAGGSA-N 432.571 2.493 30 10 IEEE COC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(O)cc1O 2329207038 NBYUJDLHQRHEMA-UHFFFAOYSA-N 428.470 2.458 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2329322616 ZMVXHEUDTGAWLY-UHFFFAOYSA-N 426.458 2.363 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)c1O 21318762 PDKDAUKPHPYGGV-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE CN(C)c1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)cc1 33518853 DCTVVCUBESZHHY-WYMPLXKRSA-N 435.463 2.123 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)N3CCC[C@@H](C)C3)n[nH]2)c([N+](=O)[O-])cc1O 59820594 GIIHYHCODBWGDS-YTTILGKYSA-N 449.493 2.224 30 10 IEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)c1C 102519108 WHSNCFKNVQXCTR-UGDGIKRESA-N 429.473 2.303 30 10 IEEE COc1ccc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Br 169907656 RRVZLLBSXZHOBJ-CAOOACKPSA-N 426.248 2.205 30 10 IEEE O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 254819321 HLQVODBTNRTSEF-QAPCUYQASA-N 446.506 2.096 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 429688841 DITVSQBKADAXKF-UHFFFAOYSA-N 434.903 2.176 30 10 IEEE CC1(c2cc(NC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)no2)CCCC1 434774751 IWDWOBOJHUYWOY-UHFFFAOYSA-N 435.528 3.051 30 10 IEEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 435441087 CULJQEUQYNOYJO-QGZVFWFLSA-N 439.946 2.494 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4snc(C)c4C#N)CC3)CC(=O)N2C)cc1 461190748 NVLIWTFNFAVSOP-XLIONFOSSA-N 439.541 2.200 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(CC(F)F)CC1)CCCC2 488702241 YZZKRZFHEYBIAP-INIZCTEOSA-N 435.519 2.239 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 508917040 AXFSDTGNDHWEAJ-HKUYNNGSSA-N 449.552 2.005 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508944159 BPVCWZIESONIBP-OAQYLSRUSA-N 446.577 2.199 30 10 IEEE COc1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1OCC(N)=O 509477062 CXAUGOCUJRFPMQ-UHFFFAOYSA-N 438.484 2.184 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1 511093549 WGEKWNWMEHTBOX-OAHLLOKOSA-N 448.449 2.463 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)s2)c1=O 523652696 GHJHQYIQABFHLK-UHFFFAOYSA-N 430.551 2.105 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)CC1 539037520 YAYUSENEHLSMPY-UHFFFAOYSA-N 436.434 2.236 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2)n1 546219377 CJBPOEYEKYSSPC-LJQANCHMSA-N 446.490 2.197 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 567115190 OERRTTJXNWEYLA-FQEVSTJZSA-N 441.532 2.222 30 10 IEEE Cc1cc(Br)cc2c1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 574948211 MBPJDIUPZBYRNP-UHFFFAOYSA-N 448.342 2.492 30 10 IEEE CCn1c(O)nnc1C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 588964276 OGBYYEAWEKSGSH-UHFFFAOYSA-N 443.552 2.148 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)nn2)cc1 610666340 CAIDDCLVAIHGHJ-UHFFFAOYSA-N 448.487 2.045 30 10 IEEE C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 727399289 OFMLBIGWADCNQS-VQIMIIECSA-N 427.526 2.494 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCSc1ccccc1 727416396 OAZIUZHLNHDYOO-UHFFFAOYSA-N 437.546 2.100 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(C2CC2)C1=O 730139001 PFWAEYGTDUFSFS-HNNXBMFYSA-N 440.472 2.170 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)ccc1F 733936635 CGIUGBMJXKRPEQ-UHFFFAOYSA-N 426.491 2.254 30 10 IEEE COc1ccc(C)cc1N1C[C@@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1=O 734293270 PXYSYXMKFXAJBK-INIZCTEOSA-N 427.482 2.042 30 10 IEEE CC[S@](=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 741423336 DJUKKTXFBLDNMG-WRINRREJSA-N 428.580 2.170 30 10 IEEE N#Cc1cccc(CNC(=O)COC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 746574804 RCDNFHCLFSXBKB-FQEVSTJZSA-N 437.471 2.338 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1nnnn1CC(F)(F)F 758367690 NHOZVVPFJLNOOV-UHFFFAOYSA-N 442.301 2.062 30 10 IEEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 760948315 UGUWXOJZYMJHDA-SFHVURJKSA-N 447.538 2.142 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(C)OCC)c1 780323685 XXFCAPLSRAYJLS-LJQANCHMSA-N 444.601 2.482 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 781444732 MZMWUQNNYPRKBY-HNENSFHCSA-N 436.390 2.383 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 782567835 VXKBRVSEVFZEIJ-HSALFYBXSA-N 433.597 2.153 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 783011307 NQMLSOVYGALXCO-GFCCVEGCSA-N 440.875 2.233 30 10 IEEE CNC(=O)c1cccc(CCC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 790863611 YYCZRYYHPXJZDS-UHFFFAOYSA-N 439.415 2.374 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2(CC#N)CC2)C1=O 797425890 OENKCTJYGQNVSP-SFHVURJKSA-N 438.557 2.252 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2cccc(Br)c2)n1 805083264 QUHWEGXQKNKXAJ-UHFFFAOYSA-N 426.336 2.257 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c2c(nn1C)CCCC2 812613682 TZHGHPMZMYSBLK-GOSISDBHSA-N 443.573 2.213 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nn2c(O)nnc2O)ccc1Cl 816731087 AOYQLMFPUJERBG-UHFFFAOYSA-N 449.876 2.108 30 10 IEEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 857838210 YURJFZZOLOOJKK-IRXDYDNUSA-N 441.550 2.048 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(C2CCN(C(=O)C(C)C)CC2)C1=O 914556752 JWDOYANHUCKMTB-SFHVURJKSA-N 446.573 2.410 30 10 IEEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 915865289 HTHWMWKBMPTERG-FQEVSTJZSA-N 441.509 2.111 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 916775720 YTFJNEABLICZOC-UHFFFAOYSA-N 436.493 2.254 30 10 IEEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)nn1 1124206189 JWHMKYXGJFIYGK-UHFFFAOYSA-N 427.490 2.314 30 10 IEEE COc1cc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc(OC)c1OCC(N)=O 1132899804 SXBGHGKRSXAQFC-GOSISDBHSA-N 437.374 2.473 30 10 IEEE CCOC(=O)C1([C@@H](C)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCOCC1 1134375565 WCKGMZNWSXRLDK-MRXNPFEDSA-N 436.530 2.242 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)s1 1136744167 MBJZEKPYNQBWTF-HNNXBMFYSA-N 445.607 2.420 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CO)Cc1cc(OC)cc(OC)c1 1137499245 WCLNMJOFXACDLJ-XLIONFOSSA-N 434.533 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C(=O)OCC[C@H]2C1 1137570255 RMKBLWLRIUWNDM-HKUYNNGSSA-N 440.500 2.446 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H](c2cncn2C)N(C)C)c1 1141878038 KSRGCDVAGMISOP-MOWYTJSFSA-N 446.577 2.255 30 10 IEEE C=CCCONC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1149445635 QRDLDAORYBEBCF-LBPRGKRZSA-N 433.324 2.144 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1 1155192570 HQHVNXKWQODFFE-AWEZNQCLSA-N 440.447 2.130 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)CC3(C#N)CCOCC3)C2)nn1 1160839349 FUKJFSQUSVAVFP-KRWDZBQOSA-N 432.525 2.177 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)cc21 1179493946 HMTGEYMPHZZHGJ-QGZVFWFLSA-N 434.905 2.154 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)Cc1noc(C)n1 1209715848 BCLOPAIGMKLSTE-CQSZACIVSA-N 426.292 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1286304752 OUANHFKBDOVINA-YLJYHZDGSA-N 430.574 2.497 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1286305778 PHYVWRAZNFEUHO-QRVBRYPASA-N 446.596 2.229 30 10 IEEE C#CCCCn1c(CC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1286352316 JVMKMHRZYKNJHH-UHFFFAOYSA-N 439.589 2.282 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1286390473 AHKHSVATTIDCTM-JKSUJKDBSA-N 426.608 2.288 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286391960 GCKUDLDHBVJMKO-NHCUHLMSSA-N 449.665 2.471 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC2CCCC2)CC1 1286485378 JLRWJBFLRDOOTG-UHFFFAOYSA-N 440.592 2.450 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286607977 WSOOPODPGAWQSK-LJQANCHMSA-N 441.580 2.459 30 10 IEEE C=C(Cl)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286635111 JZXNYKLWXNTYLI-YJBOKZPZSA-N 432.974 2.085 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1286772482 FFINHLIJPFKIDZ-INIZCTEOSA-N 439.607 2.135 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286774998 UQNCOVIOPYEZFU-IRXDYDNUSA-N 430.553 2.293 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286784820 USHOCVIMXBPMRM-YZZKKUAISA-N 425.533 2.328 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(N(C)C)CCSC2)C1 1286813381 ZPMUBRJQWWNTJT-UGKGYDQZSA-N 428.606 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COCC)C1 1286814768 GGNRREUKVWMVJM-SFHVURJKSA-N 429.546 2.280 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS2)CCO1 1286940755 DEHSAAWCBKDWDS-RTBURBONSA-N 426.546 2.054 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291496793 OQRZFWBNKPQTBT-PFUTUXKYSA-N 428.537 2.181 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)OC)CC1 1300404252 URMPVZUVZQAPNX-UHFFFAOYSA-N 444.561 2.041 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1300489573 PHYOPVMABIMAIL-LJQANCHMSA-N 441.582 2.363 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300498304 IVYBVFLCNWMKQZ-SJORKVTESA-N 434.537 2.464 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCn1cc(CO)nn1 1300570677 WJXRTYFLAIOCAP-UHFFFAOYSA-N 442.527 2.074 30 10 IEEE C#CCN(CC)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1300617287 XDQUVBMZYFUSGZ-UHFFFAOYSA-N 426.546 2.042 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301084603 WLSLECNWVRWMHJ-IJXRJRJASA-N 429.496 2.432 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(C)(C)C)C1 1301509376 GPXXRNGADWVEFC-OAHLLOKOSA-N 430.578 2.444 30 10 IEEE C=CCSCCn1c(C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1301597599 UDSCYOUYQHIIGA-FQEVSTJZSA-N 426.590 2.433 30 10 IEEE CC(C)N(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1303268288 DFRNUYNIMMZQRP-OAHLLOKOSA-N 436.358 2.115 30 10 IEEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1303556676 CERUPUCYEDVUTI-GOSISDBHSA-N 446.577 2.007 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1303642087 UTDWCMYCEHOPAF-CQSZACIVSA-N 426.912 2.472 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CC3)C[C@@H](O)CCO4)C2)C1 1303971269 QBVWXYGRXDNQMK-IOANDJKRSA-N 433.549 2.306 30 10 IEEE CCCn1c(CCC(=O)N2Cc3cccc(C#N)c3C2)nc2cc(S(N)(=O)=O)ccc21 1306868943 OEMHKLNDTNKXEX-UHFFFAOYSA-N 437.525 2.440 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 1309088652 UQRWRBUDMAKTBQ-GFCCVEGCSA-N 447.376 2.305 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1313983042 GNDNZNPUIFQSCF-JPYJTQIMSA-N 435.532 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@H](C#N)C1 1355540517 LBMJUMDBTFLTSR-CYBMUJFWSA-N 432.433 2.341 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936255 IOUNBXXDBSRISB-HSZRJFAPSA-N 442.564 2.351 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cnn(CC(C)C)c2C)CC1 1359034735 BKNGAOLTMZPEIV-NRFANRHFSA-N 425.581 2.484 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](CC(N)=O)C1 1359077879 NLRZZLJWEMTELF-KBPBESRZSA-N 430.347 2.003 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(CCOC)no1 1359106054 XEZZKYDXNLBBHL-FRQCXROJSA-N 432.525 2.319 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1359301819 MAEOAYNLICXVRM-LJQANCHMSA-N 428.968 2.499 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(N)=O)cc2)C1 1359324068 CABLKNCKTSKYET-FQEVSTJZSA-N 435.532 2.068 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1359335666 RBRCYJQWSCEXFH-QFIPXVFZSA-N 446.573 2.441 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1360106405 BNPJXJTZTWXAEF-UHFFFAOYSA-N 434.552 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1436664683 QGTSFAHYFBZZEH-IAGOWNOFSA-N 439.553 2.496 30 10 IEEE COCCOCC(=O)NC1CCC(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)CC1 1438369141 WAFRIPRJBYLEDE-UHFFFAOYSA-N 443.544 2.018 30 10 IEEE Cc1cccc2c1C[C@@H](C(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)N2C(=O)OC(C)(C)C 1456610823 CLHJNMDXGZUGMC-LZFQIVBZSA-N 445.541 2.058 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1462380175 PUMRCYJOKABGCB-KBXCAEBGSA-N 438.912 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1CCS(=O)(=O)CC1 1466651208 ZHOQQIYOZRJDPC-IBGZPJMESA-N 447.557 2.334 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1473573732 IXURNHKYQKEENP-FCQWJQKHSA-N 432.569 2.156 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OCC 1475306451 ZPOYOVHJIXNDAR-JTQLQIEISA-N 440.337 2.473 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1507630692 FTSLEGJWAGGQJI-NLWGTHIKSA-N 445.589 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@H](CO)O1 1507649546 XQJJYDSRDXAVPR-ZWKOTPCHSA-N 429.318 2.320 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CCC)CC2)CC1 1507736963 VRUNPGFQJMBEBW-XMMPIXPASA-N 443.592 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1507738744 XGBKRIZGOFIRCS-BXKMTCNYSA-N 436.560 2.165 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1507752748 DUUSKZGKJQJCEQ-QFIPXVFZSA-N 444.605 2.280 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507910039 DCUQELATQKLUDJ-UHFFFAOYSA-N 444.584 2.422 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC)c1ccccc1 1507924944 VWTYWAKOIGNNIF-OALUTQOASA-N 445.589 2.112 30 10 IEEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1)C1CC1 1507988805 SAVPJIKURUYMSI-UHFFFAOYSA-N 445.325 2.443 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508084285 LHTXPRCHCZOYHH-JSGCOSHPSA-N 429.468 2.389 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2ccc(O)cc2C1 1508137658 PHFIJOYNZQPZFE-UHFFFAOYSA-N 425.514 2.209 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)N(C)C 1510426177 HMAJHNWZQKDQAI-CABCVRRESA-N 432.598 2.235 30 10 IEEE Cc1n[nH]cc1CCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1510444004 ULEDKRNMAOTQIZ-NHCUHLMSSA-N 431.516 2.425 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC(C)(C)O1 1512418382 FSAWCQSUGJOPLS-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@@H](C)O1 1512496421 FMKPNQAHCHEFME-FUJBLVTHSA-N 429.546 2.253 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CC1 1517123834 DVDHSAFSXLSPME-GOSISDBHSA-N 429.546 2.257 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)C2CC2)n1 1531951395 IQQBKLBTGAGORD-UHFFFAOYSA-N 440.525 2.400 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)c1nn(C)cc1I 1538405176 OISJUEAOOKGSRJ-UHFFFAOYSA-N 426.214 2.174 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1NC(=O)c1cccs1 1538760938 KSABRPFASCLYFM-MGPUTAFESA-N 429.523 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1538992090 KYZHBDVUMRMRBR-KRWDZBQOSA-N 441.532 2.059 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC(C)C)CC1 1539068156 OLVPOFPTCGNFCV-UHFFFAOYSA-N 442.564 2.356 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539104147 DZBPLNOGJPCXEF-NRFANRHFSA-N 441.923 2.221 30 10 IEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(N)=O)C1 1539120379 UMJYDSQMIIZKFP-KRWDZBQOSA-N 430.553 2.118 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1nc(C)cc1C 1539153736 AGXIEBLIBLBWBZ-UHFFFAOYSA-N 426.546 2.322 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(C(=O)OC)CC1 1539165748 MAORORTXQXAXCM-UHFFFAOYSA-N 425.489 2.264 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nnc2n1CCC2 1539420578 IFGLHRKQITZIHD-UHFFFAOYSA-N 435.532 2.146 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CCC)CC1 1539434340 IJRWNQCBEFJLRO-FQEVSTJZSA-N 449.397 2.352 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1539888189 NAHIPIZTZVEHIC-SFHVURJKSA-N 431.562 2.163 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CCCO1 1540195834 JEWFJVKWASXYBM-OAQYLSRUSA-N 448.593 2.446 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1540873493 ZPIUKUULBFABLL-JOCHJYFZSA-N 445.571 2.277 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1540880332 DLDDSIIXDKCLEI-UHFFFAOYSA-N 431.562 2.287 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)C#N 1540897907 VJKBHZUDKGTHKS-HNNXBMFYSA-N 444.561 2.344 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540912945 KOACYLMFDCNWOS-QGZVFWFLSA-N 448.618 2.264 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1540929326 PHEHRAUMDGEIMK-UHFFFAOYSA-N 442.589 2.379 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1541107340 IVZSZKXCZQWUPI-GJZGRUSLSA-N 432.506 2.274 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1541113208 RRMRZMGBINUDAJ-CYBMUJFWSA-N 441.517 2.093 30 10 IEEE CC(C)CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1541588802 BELUPJPCWPPGHG-OAHLLOKOSA-N 428.628 2.408 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)cs1 1542925696 DPCGXJPEASKXAI-APWZRJJASA-N 429.594 2.485 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn2)CC1 1544117913 FWGDITINRNUBJK-LJQANCHMSA-N 444.580 2.427 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1544756399 VCGBYRJZHYVMBR-LPHOPBHVSA-N 446.502 2.398 30 10 IEEE CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1545010864 SBAALJPPMJQYMM-UHFFFAOYSA-N 425.470 2.237 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)CN1CCCCC1 1546532199 CLJXJNMSMYEVHN-RTBURBONSA-N 437.596 2.339 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)CC1 1548293326 DGUCOPKIMBGISE-JOCHJYFZSA-N 443.573 2.381 30 10 IEEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1)OC 1555246851 NPEDQHSUMUFIHI-GUYCJALGSA-N 441.305 2.149 30 10 IEEE CCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1556956957 FJTKMDOXQFDTJT-KRWDZBQOSA-N 430.505 2.138 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 1557129542 HWMFQWUPKXQNAQ-OAHLLOKOSA-N 428.514 2.405 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C1 1557239292 BIXTVIALTMQZJP-BNDYYXHWSA-N 427.574 2.321 30 10 IEEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)C2 1558973363 OPXMBSQGOQXDPF-SCRDCRAPSA-N 437.294 2.036 30 10 IEEE C#CC[C@@]1(C(=O)N[C@H](Cc2ccncc2)C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1585854011 JFQNKZQSWUAYAR-JPYJTQIMSA-N 429.517 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C(C)C 1587614602 LFOAUVCQOONVIL-KRWDZBQOSA-N 431.610 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1587621248 QBIPNKJVHLNNIQ-OAHLLOKOSA-N 426.521 2.112 30 10 IEEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1596596457 RAOLQOWSFBDRDC-YJBOKZPZSA-N 426.510 2.241 30 10 IEEE Cc1cccc(OCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1612252358 IFYMUQSBWZPLCK-REWPJTCUSA-N 441.532 2.435 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)[C@]2(C#N)CCCOC2)C3)CC1 1616450122 TVFMCQKLSHXPIV-YDHSSHFGSA-N 432.565 2.381 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)C[C@H]1O 1618883773 DCKJHMQAHJBWCY-TZIWHRDSSA-N 446.511 2.123 30 10 IEEE CC(C)(C)OC(=O)C1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOCC1 1620448610 ODOVEOHEZAPQRM-UHFFFAOYSA-N 425.489 2.163 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@H](CC#N)C(F)(F)F)cc1 1626359192 BTJXQHOGSATQCQ-HZPDHXFCSA-N 431.436 2.393 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 1627061286 DWUFHEZERQJXMI-SJORKVTESA-N 435.546 2.020 30 10 IEEE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1627109457 YVKFUKULKGQSQJ-XHNCKOQMSA-N 444.344 2.040 30 10 IEEE COC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1cccnc1 1627971334 AXWXGVNOAPXURJ-QNOZYLDQSA-N 428.489 2.199 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)(C)c3cccc(C#N)c3)CC2)cc1 1632736365 SQKQVHQYWNQQIE-UHFFFAOYSA-N 440.569 2.225 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(O)(c3ncnn3C)CC2)s1 1633646677 HLGDJYPOJDMDHT-UHFFFAOYSA-N 427.983 2.477 30 10 IEEE C#CCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1 1635160888 ZIOIULGVKLHQKW-QFIPXVFZSA-N 427.570 2.357 30 10 IEEE C=CCC[C@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1)C(=O)OCC 1636817044 VKJXWCULOCMONW-IBGZPJMESA-N 436.574 2.384 30 10 IEEE N#Cc1cccc(C2(NC(=O)NCCNC(=O)c3ccc(Br)cn3)CC2)c1 1636869222 TZGNJVAUZUWNEQ-UHFFFAOYSA-N 428.290 2.434 30 10 IEEE CN(c1cccc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1)S(C)(=O)=O 1638939153 CAKUKAASVSBIDN-UHFFFAOYSA-N 445.520 2.125 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(Oc3ccc(F)cc3)n2)cc1 1639884556 RCPRUJXEVVOHFN-UHFFFAOYSA-N 440.456 2.479 30 10 IEEE Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NC1CCN(CC#N)CC1 1654304422 DWYBOABNVUDIHW-GOSISDBHSA-N 430.553 2.481 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](CC(F)(F)F)O1 1654304687 ZDWFARVHGUAHEQ-BZUAXINKSA-N 430.496 2.499 30 10 IEEE N#Cc1ncn(CCNS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n1 1663230190 HXTSSOLXNKKASW-UHFFFAOYSA-N 428.421 2.271 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 1664295221 JIGAHKVFEIMXGO-UHFFFAOYSA-N 433.280 2.323 30 10 IEEE CCOC(=O)c1c(NC(=O)NC2CCN(c3ccncc3)CC2)c(C#N)cn1CCOC 1668605395 BIVCJFRBTSTEJW-UHFFFAOYSA-N 440.504 2.368 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682226213 FBPNPUXYEMBWBB-BZSNNMDCSA-N 427.505 2.014 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)N2CC[C@](F)(C#N)C2)CC1)C(=O)OC(C)(C)C 1684007117 NCUJYFZMWQOCHO-NRFANRHFSA-N 439.532 2.272 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1)C1CCOCC1 1687125937 CIADZEGCLDFNDT-QAPCUYQASA-N 439.350 2.336 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(O)(CC)CC)c1 1689871908 ISDKTFDELSVGEK-SFHVURJKSA-N 425.533 2.389 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(=O)N(C)C)cc1 1689978304 RSFBEXFJTRZMRZ-HKUYNNGSSA-N 426.521 2.213 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1689985892 DUYVUZWFASSALX-INIZCTEOSA-N 442.932 2.064 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1cnc2ccccc21 1690025318 LYKFTXNXCXVFHD-UHFFFAOYSA-N 443.536 2.392 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N1CCOCC1 1690035623 FAJPJSCDTVTAFP-LJQANCHMSA-N 437.544 2.146 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1690161342 BIMGVRSJWOMCOT-INIZCTEOSA-N 431.587 2.443 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1690313427 UDPUOIRPJYCLBV-FXAWDEMLSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCCC2)CC1 1690666280 YXEHVZVGEBZEGX-UHFFFAOYSA-N 429.956 2.360 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690740538 YQEZIYVRABBYSV-UHFFFAOYSA-N 432.598 2.182 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1692446492 CMKUTTRSMMAQNZ-QGZVFWFLSA-N 432.475 2.449 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(CS(C)(=O)=O)c2)o1 1693109703 DTZVSNIXKXHHOU-SFHVURJKSA-N 441.513 2.168 30 10 IEEE CCn1cnnc1Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1695802027 ZBIUAVONYBRTGL-OAQYLSRUSA-N 428.541 2.108 30 10 IEEE COCC1(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOCC1 1697802114 IBRSILJRNKRWRN-UHFFFAOYSA-N 439.564 2.438 30 10 IEEE COCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1698001594 PUTQCQYMVXYKJP-IRXDYDNUSA-N 434.541 2.158 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC=CCO1 1698058939 OYOZOWUQZCLYNZ-SFHVURJKSA-N 445.545 2.060 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1698485130 ZCCCMWBJBLVGRW-IFXJQAMLSA-N 431.859 2.029 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1705481770 MLKPLUZXBOSUGA-OAHLLOKOSA-N 432.546 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCNC(=O)c1ccc(C)c(F)c1 1705584722 VHHSHRFTOBVLAV-UHFFFAOYSA-N 430.487 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)cc1 1705588656 HYRCXMAFNAJFJT-GOSISDBHSA-N 443.573 2.187 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[S@@](=O)C(C)(C)C 1705590810 XBDCIFUKWKLOSM-YKGWIAGDSA-N 434.606 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCOc2ncccc2Cl)CC1 1705648191 RKMRQNSHJAJUEA-UHFFFAOYSA-N 428.924 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1705700511 UROUKRKLCGIWSO-QYZOEREBSA-N 433.578 2.291 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1705702155 KUKSKNJNNUZTIS-YLJYHZDGSA-N 434.537 2.224 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1705781529 BOFTXVORVGNBSU-LJQANCHMSA-N 445.589 2.465 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC)C1 1705929120 JXIMAYYNGVQNHG-GOSISDBHSA-N 426.521 2.024 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1709459486 BSWIWTKSDXZNQY-VQIMIIECSA-N 426.521 2.235 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710825506 KPAHWKIHBKBLJS-QGZVFWFLSA-N 443.515 2.230 30 10 IEEE N#Cc1ccc(Cn2c(CCCc3ccccc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1712881453 UMWICJYPGNIHHU-UHFFFAOYSA-N 448.527 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1722276927 KASFAOFRWWVMHB-MBSDFSHPSA-N 435.532 2.406 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1ccnc1C 1722295870 YOJBVZWFCPJFGI-MRXNPFEDSA-N 440.577 2.291 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1722316063 APEHUAQFARHPQC-UFYCRDLUSA-N 449.621 2.431 30 10 IEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722338504 JDNVRRUSPQGTDS-LJQANCHMSA-N 430.574 2.499 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(CC)s1 1722354231 BAMDVQYLQCOGNC-CQSZACIVSA-N 447.565 2.118 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1sc(C)nc1C 1722377168 RHDPDQPANAHYMH-UHFFFAOYSA-N 429.513 2.115 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCS(=O)(=O)CC 1722509324 MQQKQKFGNJMCET-PXNSSMCTSA-N 433.578 2.116 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1722554006 CVATVOAEQLZRAK-HNNXBMFYSA-N 445.998 2.370 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](COC)OC)C1 1722714863 KRNVVDIPWDGWKT-MSOLQXFVSA-N 430.505 2.159 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722738715 OBEGGXMQCJYWJN-OIISXLGYSA-N 426.608 2.103 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1726771146 AKQYBLIPWLPJLS-GWJPWWOOSA-N 441.532 2.131 30 10 IEEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1729496965 WCZHVMAKTBRHKY-MRXNPFEDSA-N 438.504 2.332 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1730496952 DBEKHRQGZSOSTJ-SFHVURJKSA-N 444.511 2.160 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1 1731017129 INMKNLIORWUOIC-UHFFFAOYSA-N 442.570 2.380 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1731143782 FESSFQJINYGIBT-DGUGEYBOSA-N 442.470 2.329 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OCCO)c(OC)c1 1740612045 BXKZAUSJLZBDKW-UHFFFAOYSA-N 446.511 2.014 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC(=O)N(C)C 1740652609 HBQJZYJILPGWTF-UHFFFAOYSA-N 429.528 2.462 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1740876633 VUIIFGHLNPNGTE-GOSISDBHSA-N 437.541 2.353 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncnn2C(C)(C)C)C1 1740971582 ZPBVVWQWXIPBTQ-QGZVFWFLSA-N 444.584 2.373 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1741002758 LSPABVSNZZUGCY-ZACQAIPSSA-N 426.608 2.247 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ncnn1-c1ccccc1 1744009127 GXUAWVXTGPGBMD-MRXNPFEDSA-N 435.536 2.421 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1748639587 JQTSTWBWNKXIDW-XJKSGUPXSA-N 428.562 2.493 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1748747196 DFRVTSFMSPLVEU-IAGOWNOFSA-N 430.553 2.478 30 10 IEEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748780340 TZCDJNXRSHOQSM-JENIJYKNSA-N 438.532 2.434 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748811333 DXYKARLKHIMRPE-OALUTQOASA-N 443.573 2.316 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748814239 BQMNWCGVLSYSIL-NFBKMPQASA-N 442.585 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1748913418 VHMZUAKRLBCOIZ-QHCPKHFHSA-N 425.533 2.128 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749311838 YGXQGFFBLNAQIO-QGZVFWFLSA-N 449.552 2.434 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1749666104 HLGNWYQRPUAGQY-JOCHJYFZSA-N 432.488 2.026 30 10 IEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1750999210 HGXLQWYXIODMIB-IEBWSBKVSA-N 439.520 2.089 30 10 IEEE Cc1cccc(C)c1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1751594601 CJMCQYYPKNYVEU-UWJYYQICSA-N 431.537 2.482 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@H](O)C1 1760176269 FDXGAJZFEAYDSL-GMAHTHKFSA-N 436.604 2.263 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@@H]1C 1760213131 QTAMSJRQQAITON-FDDCHVKYSA-N 440.569 2.363 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1760243107 CDIGQJXFYKBJCV-LJQANCHMSA-N 430.597 2.111 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760286029 ZFVZKIWNYCHJGR-OAQYLSRUSA-N 429.521 2.222 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)OC1CCCC1 1760317035 ZYCZWEULVHTUDT-INMHGKMJSA-N 427.571 2.180 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760359022 BCBOIOLELTZLRP-CTNGQTDRSA-N 439.560 2.379 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760525745 PPYFECAKKIRRNX-KRWDZBQOSA-N 425.562 2.480 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCCC2)C1 1760543076 MPIQTFQOCRNHFR-ZWKOTPCHSA-N 438.594 2.311 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)C1 1760543597 UOAACSITRCQEHB-IRXDYDNUSA-N 427.505 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760552852 CQOVDYWFDVJJDQ-UXHICEINSA-N 441.557 2.423 30 10 IEEE CC(C)c1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)n1 1760688140 BLPNKXUEDHBCKA-OLZOCXBDSA-N 425.584 2.112 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1761828604 NGDDGHCTIRGEIO-FGZHOGPDSA-N 426.496 2.394 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)cn1 1765312454 DDFCCWIYSWZWQX-UHFFFAOYSA-N 427.534 2.104 30 10 IEEE CCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1766590724 CJIJLVGCRAYBOA-IAGOWNOFSA-N 434.541 2.158 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCC[C@H]1CO 1768700071 LUVUGSGHCMYCAK-QFIPXVFZSA-N 448.575 2.424 30 10 IEEE COC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1769247683 FNIRUNYYUILBJX-CTNGQTDRSA-N 440.548 2.379 30 10 IEEE CO[C@H](Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1769670230 FOYAZBCFBNMLFV-HXUWFJFHSA-N 433.516 2.470 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCCC2)nnc1N1CCC(CCCO)CC1 1770833585 WHEIGZBLDCSKHU-LSDHQDQOSA-N 442.564 2.451 30 10 IEEE CS(=O)(=O)NCC1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1771365120 MEEHQZALTBQYEO-UHFFFAOYSA-N 440.529 2.224 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCOC3)n2CCSCCCO)CC1 1771534000 JMIQGSANVPMPQB-IBGZPJMESA-N 442.589 2.096 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)C2)s1 1772789245 CFRZPJQJSRPNKG-CYBMUJFWSA-N 434.495 2.212 30 10 IEEE CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1[C@H]1O[C@H]1[C@@H](O)CCc1ccccc1 1848436418 AUZRKBBJJLRSGR-BFTNJGTISA-N 431.573 2.358 30 10 IEEE N#Cc1ccc(CC(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)cc1 1850503951 JZZYDAOVMCJORU-UHFFFAOYSA-N 432.459 2.242 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)CO2)nc1 1852466271 ITOVCCTXJXFUJI-IRXDYDNUSA-N 426.860 2.319 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1852589722 CMPZTRMBBLKEGL-LBPRGKRZSA-N 447.467 2.145 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2ccc(Cl)cc2)C1=O 1854059794 RNWYZSQLCBIUGK-RTBURBONSA-N 433.936 2.345 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)C[C@H]3CCCO3)c3ccccc32)cc1 1854479882 OBBWAPWYTRIDPX-MRXNPFEDSA-N 425.466 2.196 30 10 IEEE COc1ccc2c(c1)CC[C@H](C(=O)O[C@H]1CON(S(=O)(=O)c3ccc(C#N)cc3)C1)C2 1855385205 OZRAXZIPNDFWBJ-AZUAARDMSA-N 442.493 2.220 30 10 IEEE N#CC1CCN([C@H]2CCCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1855604256 HHIBRQXLOWORQW-FQEVSTJZSA-N 431.558 2.384 30 10 IEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCCC3)cc2)c1 1858987624 GDQDGMIKFDJHDE-UHFFFAOYSA-N 426.498 2.025 30 10 IEEE CCCCCCCCC(=O)Nc1nc(N(CC)CCO)nn1[C@H]1CCS(=O)(=O)C1 1870051186 CXLWMWAODQRHNF-INIZCTEOSA-N 429.587 2.145 30 10 IEEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CSc1ncccn1 1870297527 IHCARKZKNLMARL-QGZVFWFLSA-N 430.530 2.133 30 10 IEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874344574 UDDSECGJMFQQCK-CIAFOILYSA-N 426.458 2.267 30 10 IEEE COCCn1cc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)cn1 1889349931 FIQLLJOJRHFMLY-UXHICEINSA-N 427.530 2.433 30 10 IEEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1890983886 DIKBZUSCICGDOG-QUCCMNQESA-N 437.993 2.439 30 10 IEEE C=CCC1(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)CN(C(=O)OC(C)(C)C)C1 1990033698 XXJXSVVBQDHEQN-QCKZDCLWSA-N 425.526 2.086 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2014241922 QWTDISUOLIKPGB-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE C[C@@H]1COC[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N1C(=O)OC(C)(C)C 2141666135 UOQMDZPUCRIVLA-GDBMZVCRSA-N 447.341 2.344 30 10 IEEE COC1(CCNS(=O)(=O)c2ccccc2C#N)CN(C(=O)OCc2ccccc2)C1 2174780398 UIBHTJKVMPQPLT-UHFFFAOYSA-N 429.498 2.264 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212234448 WCPXXHITHMZFIO-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2232267493 CJBXOIXROGAJRM-INIZCTEOSA-N 447.341 2.200 30 10 IEEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247954366 ZVVRENPHAWHSEV-UHFFFAOYSA-N 431.367 2.486 30 10 IEEE Cc1nn(C)c(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255656932 IFFLLCQAJYVUOT-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE CCN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2255819288 YRVGJOHNQNZILX-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256674300 JREVEXJMRNNGQJ-NWANDNLSSA-N 449.382 2.314 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256877685 XBUNWWFMZDYORD-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE CC(C)(C)OC(=O)NCC1(COc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2256928344 RSVBBBQIBACMJY-UHFFFAOYSA-N 438.305 2.440 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2257487280 XDVVNRIGJUHKMF-JKSUJKDBSA-N 431.342 2.475 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267168788 FSXZRGACHRZVDS-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCCN1C(=O)OC(C)(C)C 2267174522 UICGFJGBPZQYGR-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267266249 OACDVHHEAHQKCM-WMZOPIPTSA-N 446.353 2.255 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267278791 FYEOQDWPHSYOLS-PIIMJCKOSA-N 443.353 2.318 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267564795 VSYYSJBSNJYBSS-JKSUJKDBSA-N 449.357 2.116 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]12CCN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267592540 NMNUIMRSOOQOCG-JOCHJYFZSA-N 444.341 2.001 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c(O)c2)OC1(C)C 2268988515 BNYSBPNWOLLZAV-SFHVURJKSA-N 441.289 2.091 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@](C)(O)[C@@H](N)C#Cc1cccc(Br)c1 2278732497 JOLPQLGPQBCILJ-LPHOPBHVSA-N 427.339 2.420 30 10 IEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1C 2296926236 FPAWBGGEXJFZQJ-IBGZPJMESA-N 440.500 2.187 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)C1 2301495500 XRVSYVWOKGCFBL-CVDCTZTESA-N 449.617 2.310 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2315643749 YRWJNUDPDKHVHU-OKILXGFUSA-N 449.382 2.381 30 10 IEEE O=C(C=Cc1ccc[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2325690434 FETHLYYZFWIUDF-UHFFFAOYSA-N 431.861 2.480 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)C=Cc1ccc2c(c1)OCCO2 2326878695 ZTLDRYMYBWXSAA-UHFFFAOYSA-N 441.509 2.252 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1C 2337393943 GSJFUZSTEJKRLH-IBGZPJMESA-N 438.381 2.280 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2366839557 YPZPLEVSWWJPDE-DOMZBBRYSA-N 439.306 2.478 30 10 IEEE C=CCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nc2ccccc2c1=O 10093492 INXYIQXLLIJGIP-KRWDZBQOSA-N 430.574 2.148 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c1 20527268 MCZGXNPAQNVYEX-LVCXCXRVSA-N 425.518 2.416 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)n2N)cc1 21316609 ZRSNNBMUYGHEFW-UFFVCSGVSA-N 428.474 2.136 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)cc1 28665701 CCWAHVNLLTYVFW-HOTGVXAUSA-N 444.509 2.029 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 39915194 QMHPTCGDDGTOSO-KRWDZBQOSA-N 440.518 2.426 30 10 IEEE COc1cccc([C@@H]2c3c(nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1OC 72444802 ATOUFGYSAQVUJX-SMKXDYDZSA-N 437.500 2.493 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccccc1 102487012 YCZCXVDKBAQWRP-LCPUNJGISA-N 437.452 2.349 30 10 IEEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@@H]1CCCN(CC#N)C1 433222494 ZFQWTZMWXTWSDG-CABCVRRESA-N 442.379 2.211 30 10 IEEE CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443335564 PQDPLTGOEDFIDO-UHFFFAOYSA-N 434.562 2.492 30 10 IEEE CC(C)[C@@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)N1CCN(C)CC1 446572040 IELLEFZJEVEZEC-XVAXZDLZSA-N 428.581 2.214 30 10 IEEE COc1cc(OC)cc(N2CC[C@H](CNS(=O)(=O)c3ccc(C#N)cc3OC)C2)c1 464224175 SCPLLJZLHYHPGT-MRXNPFEDSA-N 431.514 2.389 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 485656990 KWCWEYQPZQYOLB-MRFFXTKBSA-N 448.495 2.065 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 503028553 RDZCADFORKAFBQ-HSZRJFAPSA-N 441.532 2.340 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508509801 PCQWPKBOANLVAC-LPHOPBHVSA-N 435.488 2.360 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 509014398 XEWQORDADYAFNH-YOEHRIQHSA-N 435.370 2.389 30 10 IEEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C)c1=O 513734950 HRWKFQUWMPXSSW-UHFFFAOYSA-N 435.343 2.336 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)ccc1Cl 515742214 KILHNXYFWJWANX-UHFFFAOYSA-N 443.916 2.367 30 10 IEEE C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522067752 PUNGTJFPLOHMLH-UHFFFAOYSA-N 440.525 2.339 30 10 IEEE Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n(CCC#N)n1 526640869 CLBWKOUDSQHYTN-KRWDZBQOSA-N 432.488 2.235 30 10 IEEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C1CC1 533139965 ZVBKYTZVCYQVJB-SFHVURJKSA-N 444.601 2.022 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cnc(-c3cnn(C)c3)s2)c(C#N)cn1CCOC 539637651 BHBGMTPTMNALSY-UHFFFAOYSA-N 428.474 2.292 30 10 IEEE COc1ccc([C@@H]2CCCN2C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 545504838 FDUHXZLBULNFJE-NRFANRHFSA-N 435.528 2.456 30 10 IEEE COc1ccc([C@H]2CCCN2C(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1OC 546209857 KFMUAZNHABUNEK-HXUWFJFHSA-N 435.528 2.456 30 10 IEEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 549271705 QEGIZAXKXHEPFS-UHFFFAOYSA-N 434.547 2.390 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(CC)cc2)CC1 549638926 WCMUVBWCXBPZRB-FQEVSTJZSA-N 425.533 2.467 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCN(CC(F)(F)F)C(=O)C2)nnc1-c1ccco1 552726658 PZHNLJVXSSEUHM-UHFFFAOYSA-N 443.451 2.439 30 10 IEEE CCOc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)cc1 556781926 OIYSLAHRSDQLOK-UHFFFAOYSA-N 448.548 2.212 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CC1 558925506 HKHXHDBGOOIASD-UHFFFAOYSA-N 431.500 2.238 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 580603813 VUUMQKJQXILSGN-VQIMIIECSA-N 431.562 2.248 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 609220388 XMCKXKRSPPOWRF-UHFFFAOYSA-N 442.512 2.183 30 10 IEEE CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609256761 HEUWPRTZYQPBGA-UHFFFAOYSA-N 446.504 2.373 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 619107046 OJBSWJQKSCXDQK-UHFFFAOYSA-N 449.536 2.124 30 10 IEEE C[C@H](c1cccs1)n1c(=C(C#N)C#N)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 726584271 PNRKQRTVTRFEQO-CQSZACIVSA-N 430.518 2.188 30 10 IEEE Cc1nccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)n1 730141284 IYUDMIRFAOHHHH-GOSISDBHSA-N 444.536 2.124 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)cn1 732798505 ZDPVEAXOVNPVSC-UHFFFAOYSA-N 447.564 2.197 30 10 IEEE CN(CCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 733858434 XQBOJXIKQRRWLI-MRXNPFEDSA-N 430.461 2.173 30 10 IEEE C#CCNC(=O)C1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 747818177 HPKQTXGCNPKJJM-UHFFFAOYSA-N 427.486 2.118 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)cc1F 751925599 RZKWSOQWWMWLGH-CQSZACIVSA-N 432.468 2.099 30 10 IEEE CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 755283255 VIDWOSFIOLCBJN-YLJYHZDGSA-N 427.549 2.424 30 10 IEEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@H](C)O2)[n+]1cc(O)cc(Cl)c1 759058623 NKWRVPLYDOEHDS-NSHDSACASA-O 430.893 2.487 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCC(F)(F)C2)cn1 763235641 XYSONWLOIIUHSH-CABCVRRESA-N 442.536 2.090 30 10 IEEE CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)s1 765146171 SWRYKIQREHDYQB-UHFFFAOYSA-N 440.550 2.398 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 767798436 ZYRVTJSREKCLRG-DLBZAZTESA-N 448.545 2.328 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)cc1 775511419 APRAQPZMWQHUOG-HZPDHXFCSA-N 438.550 2.482 30 10 IEEE COc1cc(C)c(/C=C/C(=O)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)c(C)n1 781548825 IQSRMVMMNFFSDU-MDZDMXLPSA-N 438.527 2.329 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccsc1 790748077 UYMUBGQSBHYKNP-HNNXBMFYSA-N 441.542 2.475 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1cncn1C 796084698 FBVPARAHRFXBFW-XMSQKQJNSA-N 437.500 2.358 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H]3CN(C(=O)OC(C)(C)C)CCC3=O)CC2)o1 796280378 WBMNDTMLBPAANY-QGZVFWFLSA-N 432.477 2.193 30 10 IEEE CC(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802672018 ZNKGEUGSNHNEBB-QGZVFWFLSA-N 442.593 2.071 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 916775494 UPSSMCVAURQXPR-QGZVFWFLSA-N 429.473 2.196 30 10 IEEE COc1cccc(C(C)=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)c1 1084212857 FPZQDPUYHSVBCG-UHFFFAOYSA-N 425.518 2.245 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)c3ccccn3)CC2)cc1OC 1130568354 RLTWJSYBKQBOOT-UHFFFAOYSA-N 444.513 2.056 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)ccc1F 1133188534 RPFQTSDDXIIKCK-FQEVSTJZSA-N 433.461 2.497 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cccc(C)c3)CC2)s1 1135444508 OTIKDKBRNYTZMA-UHFFFAOYSA-N 433.599 2.408 30 10 IEEE C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccc(C#N)cc1 1136181994 GVBOSZZMHFKUTE-JEDBISTDSA-N 447.557 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)C3(C#N)CC4(CC4)C3)C2)CC1 1136343694 HCWYXBPYESDYDU-QGZVFWFLSA-N 430.549 2.388 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1147519331 NBHMGOKWDPHSBL-IBGZPJMESA-N 441.488 2.273 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1211446553 XHJLQTYVILTDEZ-UHFFFAOYSA-N 431.205 2.263 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H](C(F)F)N1CCOCC1 1286366743 CMYGJRNTUGTWDZ-QGZVFWFLSA-N 449.502 2.388 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1286386052 SYVBGZCHLLYSEW-GOSISDBHSA-N 440.573 2.093 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286388009 KCJOULZELXGMFU-LJQANCHMSA-N 437.525 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286433076 JSPAFEXBMBULIX-XARGGIHNSA-N 442.560 2.193 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286533705 KACHSFOKYVNIDX-LBPRGKRZSA-N 435.282 2.429 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)N(C)C)CC1 1286643172 CGWYANGWJCWADT-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=CCNC(=O)Cn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1286792643 DOXBSOIMBGHDBA-QHCPKHFHSA-N 443.548 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](OC)C1 1286822325 IFEAGIZLHGHVQL-IBGZPJMESA-N 443.573 2.497 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1286832155 PLQZGCNBLQJGJT-QGZVFWFLSA-N 443.639 2.299 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)[C@H](C)C1 1286881751 BWMSQLIDWOJRIT-OAHLLOKOSA-N 448.474 2.067 30 10 IEEE COc1ccccc1-c1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 1298287377 AWNVHOYTIATHAJ-GFCCVEGCSA-N 443.510 2.391 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1298752344 ABGHQIMTEPSYRK-UHFFFAOYSA-N 440.548 2.350 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300336721 MPYJFDQQJSYQJI-IBGZPJMESA-N 428.581 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCC[C@H](C)C1 1300544704 CJCCRZQFOHFQQT-RBUKOAKNSA-N 438.601 2.463 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)OC(C)(C)C)CC1 1300723038 PBKWMZDTTGOHQP-UHFFFAOYSA-N 430.553 2.036 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2COc3ccccc3O2)CC1 1300727244 VNJMWQVMMSWADJ-LJQANCHMSA-N 437.544 2.282 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300809194 VBUNUTOGRJUEDT-RTWAWAEBSA-N 448.976 2.064 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1300853412 OGRQDJVYMAABGW-HXUWFJFHSA-N 447.381 2.474 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300970392 SRYOUQJDRMMQOG-IEBWSBKVSA-N 427.553 2.360 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](OCC)C1 1301492386 IDEGRLHERXIATP-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1301542753 FNVFZWWUUWAJGA-HTAPYJJXSA-N 445.568 2.106 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@](COC)(C(=O)OC(C)(C)C)C3)cc2C1=O 1302277909 LGWMADPYEFDNBE-HSZRJFAPSA-N 428.485 2.289 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1303011899 VBIKNSARAUODOG-RTBURBONSA-N 440.523 2.395 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)C2)nc1 1303900641 VITXLOVGFQSGHI-SFHVURJKSA-N 425.514 2.210 30 10 IEEE Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305589247 FUWYAQIFLMYPPU-UHFFFAOYSA-N 429.408 2.228 30 10 IEEE CCC1(CC)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1305895470 SIPJWHSLLJFVOJ-MXLIYFDZSA-N 428.537 2.325 30 10 IEEE N#Cc1ccc(COC(=O)[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]32)nc1 1327648656 RUTGHXWWJWCDQF-IYDISJPVSA-N 439.471 2.476 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1358903779 JLDWGNKAOHTGIN-GOSISDBHSA-N 437.610 2.404 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1358918824 IHIPWFGUWUAGHH-UHFFFAOYSA-N 440.573 2.342 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1358933459 URDAEARRLNKACP-DLBZAZTESA-N 430.553 2.163 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964557 BCPBONGNSJSDRR-HGHGUNKESA-N 448.614 2.108 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1359124893 ILDOQKQZFXDUTK-QFIPXVFZSA-N 443.552 2.022 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1359240052 DYZRYKQPLQXJOF-LSDHHAIUSA-N 427.571 2.058 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359294859 HGMWYTUOXQPDIF-UHFFFAOYSA-N 435.410 2.384 30 10 IEEE CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1455636737 LDKABZDXIFCGLS-INIZCTEOSA-N 445.520 2.295 30 10 IEEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 1469964362 ADMVCKBRVFQGSZ-DGGJZMOXSA-N 429.492 2.340 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCCN(c3ccccc3C#N)CC2)CC1 1473147474 NMCBLBWSURGSHV-KWLQHXCVSA-N 429.561 2.306 30 10 IEEE CCCCn1c(N)c(N(C(=O)CN(C)[C@@H]2CCC[C@@H]2C#N)C2CCCC2)c(O)nc1=O 1473708713 YECJOOLRSSOEML-NVXWUHKLSA-N 430.553 2.231 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1499153545 AOQUYRXBXCJDGC-UHFFFAOYSA-N 436.608 2.065 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1 1503713457 DGUHSFXBJXNZLX-HNNXBMFYSA-N 428.562 2.443 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCn2cc(CO)nn2)c1 1504338921 CQBSPMFGHONFRD-QFIPXVFZSA-N 436.520 2.258 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1507626800 PCUDNCVLVFXOOY-AVRDEDQJSA-N 446.573 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC(C)(C)C 1507642881 BYAKPMQSJQBDMS-UHFFFAOYSA-N 431.338 2.413 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2csc(C)n2)CC1 1507736409 LOWVUAFIOXRTRH-UHFFFAOYSA-N 435.557 2.314 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1507743853 LKIPFBVAOBVCJN-UHFFFAOYSA-N 428.518 2.254 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507797812 MOVNVELZEUNLQT-ZCNNSNEGSA-N 425.533 2.499 30 10 IEEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507828092 SCUBUIAGGYYAKV-UHFFFAOYSA-N 442.951 2.446 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1)C1CC1 1507988266 RHGAARNPTZVUSB-HNNXBMFYSA-N 429.550 2.048 30 10 IEEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1508098456 PHVXKDNAGOYGGO-HNNXBMFYSA-N 444.540 2.172 30 10 IEEE CC(C)(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508518799 ZWRVYXMYDHESOA-FMQUCBEESA-N 441.580 2.167 30 10 IEEE CCOC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1516087137 HMXIBPJWTGIIKN-QFIPXVFZSA-N 439.495 2.449 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC#N)CC1 1516845813 DJIGSNSJJLMLAV-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE CN1CCN(c2ccncc2NC(=O)COc2cccc(Br)c2C#N)CC1 1527871653 IBWSYWFNQDEOMQ-UHFFFAOYSA-N 430.306 2.485 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)OCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1Cl 1529748737 GKDOXWNGMOESPA-AWEZNQCLSA-N 437.839 2.404 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1530413119 QVQDNYWKPLZLBJ-HXUWFJFHSA-N 434.544 2.129 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 1533084275 GVSFDDCHIHCCSE-SFHVURJKSA-N 431.518 2.123 30 10 IEEE N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(I)c1 1535353053 LBGONQTYLBHJMG-VXGBXAGGSA-N 437.237 2.277 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1538971114 GQPYQFQKSBZFCZ-HOTGVXAUSA-N 428.562 2.379 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1539037552 GPQMHADXBUUFBZ-CADBVGFASA-N 446.596 2.227 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539127353 IGYIVWJOZJREFK-FQEVSTJZSA-N 427.622 2.263 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H](C)C1 1539180104 WQZJFSDMWNXCIM-RBUKOAKNSA-N 446.596 2.388 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccccc2)CC1 1539362463 BTLYVQAVDLKBJJ-UHFFFAOYSA-N 432.576 2.350 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1540875937 CHVYALJKOIXGRB-FDDCHVKYSA-N 443.523 2.365 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)C1 1540899098 CWWGTGQYCKMJNS-UHFFFAOYSA-N 445.589 2.122 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](CC)C1 1540904220 KDZWZULTTQFQIQ-HKUYNNGSSA-N 448.589 2.482 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540912939 KOACYLMFDCNWOS-KRWDZBQOSA-N 448.618 2.264 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(C#N)o1 1541472366 GOMXNOINIMKKTR-INIZCTEOSA-N 431.504 2.366 30 10 IEEE Cn1ncc(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)n1 1554365727 FROALLOPGFJINJ-UHFFFAOYSA-N 448.579 2.221 30 10 IEEE COC(=O)C[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1566137793 PBRFNUYEQZVNNG-XLIONFOSSA-N 443.500 2.183 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(N2CCOCC2)CCSC1 1583305091 PLZZTIZATBNLKX-HNAYVOBHSA-N 434.002 2.346 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3C[C@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)n2)c1 1586513508 ZXNXDWOABVGAMW-KDOFPFPSSA-N 438.431 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1587621280 QSEJFDOVHVZAAR-QGZVFWFLSA-N 444.543 2.499 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1587818015 NUTQHUOXENBCEH-MRXNPFEDSA-N 448.545 2.008 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041350 WPLYMAYYCHHOGU-MOPGFXCFSA-N 447.605 2.450 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCn2ccnc2C1 1588166839 QTXOUYDBSMTBQL-LJQANCHMSA-N 430.512 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCCC1 1588233284 FZJXYQMWKXIXQK-LJQANCHMSA-N 447.605 2.044 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@H]1C 1588612734 JWKMRTMCKKYGLF-IEBWSBKVSA-N 426.517 2.475 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1589381432 BTEBDDJYTURPNO-WBVHZDCISA-N 448.369 2.191 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1589495879 UMOTYFPDTNWWCJ-PZJWPPBQSA-N 445.589 2.387 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1595100653 RXDOJUPHXBSPKM-FXAWDEMLSA-N 442.589 2.195 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1595162128 WYFQLUWPNOYVGZ-HRAATJIYSA-N 431.562 2.195 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1595545261 UCANIURHQYBHIL-PMACEKPBSA-N 441.532 2.106 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)CN2CCOCC2)C1 1595713981 JLWCKFNIBBHOGS-ICSRJNTNSA-N 426.565 2.398 30 10 IEEE C#CC[C@]1(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CCCN1C(=O)OC(C)(C)C 1596071139 BSVCQVHRROIIQG-HYBUGGRVSA-N 442.560 2.192 30 10 IEEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)C(=O)OC 1596244991 SIFOELFSNGELES-HZPDHXFCSA-N 428.576 2.471 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3c(nc2O)CCC[C@H]3O)c1 1596359745 WTQRARCWKXJLBB-VUSLFOADSA-N 444.513 2.222 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613113101 ALHPNHGHMHXNTR-GWJPWWOOSA-N 439.564 2.172 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1617008222 SKRZCPDVPFUZSM-UAFUQJIBSA-N 430.553 2.256 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1617331812 CVGKMQFJRAJELP-ROUUACIJSA-N 429.546 2.256 30 10 IEEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O 1617654329 PBSHOROZYREVDK-RBUKOAKNSA-N 432.952 2.465 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CC4(C#N)CC4)CC[C@@H]32)CC1 1626479032 LDYCKMPFWDIIRH-IRXDYDNUSA-N 431.537 2.074 30 10 IEEE CN(C(N)=O)c1cccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1626668796 ODUDAYCNKNHVAW-UHFFFAOYSA-N 443.529 2.439 30 10 IEEE Cc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)c(C)n1-c1ccc(Br)cn1 1630033898 BHPAHVSGIOALRQ-UHFFFAOYSA-N 430.306 2.450 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](n2ccnn2)CC1 1630656589 PQCBCYFROMNJPV-KRWDZBQOSA-N 444.561 2.131 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](O)COc2ccc(F)cc2)C1 1631318018 BWHACMMXVUGCKQ-KRWDZBQOSA-N 448.292 2.452 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1631336377 VBTFNCBRSNIKLR-AUSIDOKSSA-N 428.533 2.357 30 10 IEEE C[C@H](CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)N1CCN(C)CC1 1632752641 GSODAYGKHDFJDF-DYESRHJHSA-N 441.576 2.145 30 10 IEEE CCN(CC)C(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1661485075 AUWAFCMWNDNECG-UHFFFAOYSA-N 447.330 2.228 30 10 IEEE C=CCOCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1684155805 NWJUVFCKXNSRND-KRWDZBQOSA-N 426.558 2.078 30 10 IEEE C#CCCCCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C 1689906366 MCYCOVRFXSVHJI-UHFFFAOYSA-N 427.553 2.436 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)c1 1690064049 YNGGQIIKWQYEOA-UHFFFAOYSA-N 426.546 2.174 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(C)COCCO1 1690101171 QXBXOOMWYRMJHO-QHCPKHFHSA-N 437.500 2.492 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(F)(F)F)CC1 1690150719 RVGADRKXSRXKSR-UHFFFAOYSA-N 426.468 2.162 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)F)CC2)cc1 1690680004 GIUOLIMLVMJQPU-SFHVURJKSA-N 446.502 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690719044 GFEUYKCBCIULPJ-ROUUACIJSA-N 447.605 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690724643 TVQDRISHKYQEPW-MSOLQXFVSA-N 447.561 2.173 30 10 IEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1690734206 YMDLWXFCNDWNDV-UHFFFAOYSA-N 448.980 2.059 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1692661650 INWMZNYYOIRODF-AEFFLSMTSA-N 433.507 2.358 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br 1693748832 SDZFAPYYFIHELU-NSHDSACASA-N 439.264 2.471 30 10 IEEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1696632065 HIYRUYNXFNNBKB-LJQANCHMSA-N 442.589 2.378 30 10 IEEE COCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697996505 LWJWLBCWJGHHED-KRWDZBQOSA-N 426.521 2.175 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccccc2F)n1C[C@@H]1NC(=O)CC1(C)C 1698062735 GTZSDYBZQZJONV-SFHVURJKSA-N 428.512 2.289 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1698188482 BWLZNIMRNKBNMA-NRFANRHFSA-N 448.527 2.375 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1698485131 ZCCCMWBJBLVGRW-LIRRHRJNSA-N 431.859 2.029 30 10 IEEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Br)n2)CC1 1698488069 BSBRDKIFPPOPCJ-UHFFFAOYSA-N 444.337 2.460 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705565838 WXNPYAIITQOPFS-QGZVFWFLSA-N 431.587 2.253 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)O)CC1 1705646158 SVTZNVPUGDKLJY-UHFFFAOYSA-N 433.915 2.474 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705804100 PJTIKLLUZGVWND-UHFFFAOYSA-N 440.596 2.169 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705826136 PBLZEJBKUSVFTK-SFHVURJKSA-N 442.520 2.206 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 1705898279 HDNKJKWIKGKHFW-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705898940 CQAXIJSYQQSSLU-UHFFFAOYSA-N 436.560 2.476 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3ncnc4ccsc34)CC2)nnc1C(C)(C)C 1705909347 UNWVBLYCZOKEKO-UHFFFAOYSA-N 440.577 2.209 30 10 IEEE CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1706701089 UDXLRBJVBOOZBE-IBGZPJMESA-N 437.548 2.243 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1709679240 NELOYTABIRATAS-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1710387262 ASQFZYZMPOUGPV-UHFFFAOYSA-N 426.521 2.103 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCOC1 1710893711 QHEUBKSTEMAGSC-GOSISDBHSA-N 446.577 2.009 30 10 IEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CC1 1711550086 FDJUXHMRYATHED-IBGZPJMESA-N 429.546 2.255 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722289664 RQAQSGKUXVKUGD-WDSOQIARSA-N 428.562 2.002 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722316228 DUTYMYNOQVMACI-OALUTQOASA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1ccc(OC)cc1 1722382203 GCBAGXHJZQXBFT-ICSRJNTNSA-N 440.569 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCOC1 1722385317 DKEOGKHJVNQHMK-FQEVSTJZSA-N 435.311 2.388 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)Nc2ccccc2)CC1 1722439747 NZAISPRSTBWNTA-UHFFFAOYSA-N 429.528 2.048 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(C)=O)C1 1722474724 IHQHGBOTGAERAF-IHFIDZABSA-N 429.565 2.253 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@](=O)CC 1722656844 KCUODFBJTCHOCM-YVGXBJCXSA-N 426.546 2.062 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1722740476 OVTLRZZJGXRWGN-CQSZACIVSA-N 441.561 2.331 30 10 IEEE Cc1n[nH]cc1CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC#N 1724100852 BWHRWAGZRLCDRJ-OAHLLOKOSA-N 431.508 2.324 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCCn1cc(CO)nn1 1729397712 HCCJPYRAUVPFTM-UHFFFAOYSA-N 429.488 2.022 30 10 IEEE COc1cccc(C(=O)NCCn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)c1 1730209827 DWMCXDCQKDJUPP-QFIPXVFZSA-N 435.463 2.221 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1730850678 JCCIRQZFBUQJRU-HZPDHXFCSA-N 442.520 2.010 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1cccs1)N1CCOCC1 1740613040 RFQAGJRHCYABNC-LJQANCHMSA-N 439.589 2.344 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(c2ccccc2F)C1 1740629649 VFEFOBBKYDSTNU-IBGZPJMESA-N 434.519 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1740655611 DPDJYYSFSDRIKB-OAQYLSRUSA-N 425.577 2.280 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)CC 1740658407 IYTQEKBJRQTMQU-UHFFFAOYSA-N 434.949 2.408 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2ccccc2C1 1740659992 BWLKKKIMCUFIQD-UHFFFAOYSA-N 429.528 2.443 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1740762017 QRJKEGIVPBCNIO-VQHPVUNQSA-N 426.608 2.103 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1740834942 BDLTVFKBXNCWIL-QHCPKHFHSA-N 425.533 2.480 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1740891290 XSDZJWIQIIZNNW-GOSISDBHSA-N 446.621 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1740957698 XSTIGGFNBFZSRZ-UHFFFAOYSA-N 448.531 2.037 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)OC(C)(C)C)CCOC1 1741127176 YEPJMKXKHUKCCV-KKSFZXQISA-N 436.557 2.439 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccccc1OCCN(C)C 1744647138 YMGSPBSXDSQNFX-UHFFFAOYSA-N 447.543 2.364 30 10 IEEE CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1745034440 CMGCFJDCZVOERS-WZHXCRBMSA-N 430.553 2.397 30 10 IEEE CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1746324935 AWXADHGEZCGIKX-HXUWFJFHSA-N 438.580 2.106 30 10 IEEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1747536916 ZPUJNXQEHFDKQK-RTWAWAEBSA-N 429.528 2.486 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749677320 VULPKSRGZVHLHQ-UHFFFAOYSA-N 427.528 2.174 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1750739174 KIFSNYKJRQBGFA-MRXNPFEDSA-N 434.566 2.097 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760108764 KMWZSCLPJJZPCG-UYAOXDASSA-N 438.576 2.354 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1760110267 CEWOXTQITRCFBT-SJORKVTESA-N 449.559 2.438 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1760125922 VXVOZEKWYMDBDC-CVEARBPZSA-N 434.587 2.472 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCN(C(=O)OC)CC1 1760175568 MMWRASFHTASBAT-LJQANCHMSA-N 425.489 2.338 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CC=C)CC1 1760265152 PLRAPGDGKJJDMT-UHFFFAOYSA-N 449.559 2.494 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1760284199 HYKMJLIZGWDKQD-UHFFFAOYSA-N 449.584 2.383 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1CSC 1760300540 HOZDFCGWMXXOTM-RYUDHWBXSA-N 438.417 2.129 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760427436 AJGWNMNIWYOCPB-LAUBAEHRSA-N 448.593 2.022 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1760453371 UPVWFFCRYJIPLP-UYAOXDASSA-N 449.596 2.084 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1760488980 LXQCOGRZHQMIAN-QGZVFWFLSA-N 428.924 2.319 30 10 IEEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cnn1CC(C)C 1761630071 IDXXEYPMIQTASH-IBGZPJMESA-N 432.532 2.338 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1763912175 FHWKKMRRWXBVTC-ROUUACIJSA-N 428.537 2.325 30 10 IEEE CCOCc1nnc(N2CC[C@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766297473 GGQVNXPJPMENHS-VEGAHXMMSA-N 436.516 2.335 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(F)c2)CCO1 1770751394 HZNVPSZRVIUAPM-QGZVFWFLSA-N 440.504 2.380 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(SC)CCN(C)CC1 1771112275 JXOYPUGBEKLSFZ-SFHVURJKSA-N 436.626 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1772516691 YMQAJSSQVAMNBS-UHFFFAOYSA-N 444.532 2.284 30 10 IEEE Cc1cccc(C)c1N(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=S)N=CN(C)C 1851190321 MWZVHMBOXBLNQJ-INIZCTEOSA-N 426.546 2.298 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 1852819559 GCVKDOLGFYXVLV-OAQYLSRUSA-N 430.574 2.302 30 10 IEEE C=CCN1C[C@@H](C(=O)Nc2c(C#N)c3ncccc3c(=O)n2CCc2ccccc2)CC1=O 1852935856 ZQSJUVOEMDXKPD-SFHVURJKSA-N 441.491 2.484 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)O[C@@H]2CON(S(=O)(=O)CCC(F)(F)F)C2)c1 1854947713 QOXMYFYUWUCWBI-NSHDSACASA-N 426.800 2.461 30 10 IEEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855019699 VEJSYXWPKCGCFA-GOEBONIOSA-N 439.343 2.419 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C)C(C)(C)C2=O)[C@@H]1c1ccc(C#N)cc1 1856056618 GPBIGWSWXZABCT-OALUTQOASA-N 428.558 2.031 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1C(=O)O 1862628979 LBKGBMIWBCBOJV-SFHVURJKSA-N 425.393 2.338 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)ccc1O 1862630601 XMNVQPJUAYQXQX-LJQANCHMSA-N 427.409 2.090 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1 1868920330 DJGSRPXYLNDIAP-XBVMLYLOSA-N 433.574 2.436 30 10 IEEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCN(CC)CC2)cc1=O 1870563703 LOVGZNLIXZTORA-JOCHJYFZSA-N 429.948 2.385 30 10 IEEE COc1cc(/C=N/Nc2cnn(C)c(=O)c2Br)cc(Br)c1O 1873529101 PTFBMVZYGDNOQE-FZSIALSZSA-N 432.072 2.466 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(N(C)CCO)ncnc21 1873663775 MBIQYXIUUANZRG-UHFFFAOYSA-N 449.559 2.050 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NCc1occc1B1OC(C)(C)C(C)(C)O1 2039815885 JAUIRAORSMUINX-LIRZEXBASA-N 434.342 2.349 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060636421 XRNVPASGULBHTG-QGZVFWFLSA-N 434.342 2.488 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2062947458 ZJDRWSYOGWTRCF-ZFWWWQNUSA-N 432.330 2.408 30 10 IEEE C#CCn1ncc(NC[C@]2(F)C[C@@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2105975704 GYUVEGITZTTWFR-OYHSWFHJSA-N 429.290 2.446 30 10 IEEE N#Cc1cc(N)ccc1S(=O)(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1 2162924215 FUVFLIIFRLBSGV-UHFFFAOYSA-N 426.498 2.220 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247920147 WPLUZBBEWMDIBD-ZIAGYGMSSA-N 437.733 2.430 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2250272490 OLUBBDAMAHSROJ-OLZOCXBDSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](CO)C1 2254803138 QXFSUFDCSJQYMO-DOTOQJQBSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630176 GSXPNDQQMBBVDF-CQSZACIVSA-N 434.346 2.086 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1 2255655062 HMIAAFNWRUNATK-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255813100 ZWQDGYJMFGYXSV-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE CC1(C)OB(c2cc(F)ccc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2266990564 SZRVLRZEGMOSOD-IBGZPJMESA-N 444.234 2.408 30 10 IEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267132808 UUSXUSLFKHHXAP-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cc1nn(C)c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267199324 KSIVLAMZMUSIGF-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2267482552 FULBWOZVGCMOFM-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)c1 2267512322 MRCAJGFPSCXZDV-UHFFFAOYSA-N 438.333 2.383 30 10 IEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527746 LRVALHDVRYOYMM-CQSZACIVSA-N 448.373 2.109 30 10 IEEE Cc1c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267530011 SXKNHADMOPBPSM-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267550106 UZRSRZHFKYTGQY-INIZCTEOSA-N 446.357 2.295 30 10 IEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267564402 HHEUYFCFMKDUSW-UHFFFAOYSA-N 449.357 2.070 30 10 IEEE C[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267608810 JMKAYHDNZFJNJX-GOEBONIOSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267812513 BTISIMHVEPGFLW-GJZGRUSLSA-N 448.325 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](O)[C@H](N)C#Cc2ccc(Br)cc2)C1 2278802873 YZCUDQAROYJBKA-BRWVUGGUSA-N 425.323 2.125 30 10 IEEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)c1 2297740714 HADGZAKNKJHDMS-NRFANRHFSA-N 437.496 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NCc3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2312832780 RDWMAWMMEFBJBC-ZMPRRUGASA-N 434.342 2.493 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cccc(O)c1 2326823511 PJCWGCQCRPYHHK-UHFFFAOYSA-N 427.486 2.421 30 10 IEEE COC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc(OC)c(OC)cc1OC 2330971168 ZHTLRDQMAYYNRX-CYBMUJFWSA-N 436.490 2.303 30 10 IEEE CC(C)(C#C[C@H](N)[C@@H](O)c1scc(Br)c1Br)S(C)(=O)=O 2365209208 FIWOSRXTBHJNBQ-WCBMZHEXSA-N 445.198 2.460 30 10 IEEE C[C@@H](C/C(N)=N/O)N(C)S(=O)(=O)c1cc(Br)ccc1Br 63091996 OCAWOTFHJSNYLZ-ZETCQYMHSA-N 429.134 2.357 30 10 IEEE Cc1ccc(C2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170097922 VOCJUAVPKHGZMF-UHFFFAOYSA-N 430.508 2.070 30 10 IEEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431222425 WVRLYVVMZBCBQY-UHFFFAOYSA-N 445.610 2.041 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CC2 432503599 WWGBJGIBNFPJBN-JOCHJYFZSA-N 434.540 2.298 30 10 IEEE COc1cc2ncn(CCCC(=O)NCCOc3ccc(C#N)cc3)c(=O)c2cc1OC 460280860 DQJBYXSALXEAOS-UHFFFAOYSA-N 436.468 2.261 30 10 IEEE CCS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(C#N)cc2)(c2ccccc2)CC1 460289785 OFFZFDZTNSJWNA-UHFFFAOYSA-N 441.553 2.437 30 10 IEEE CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nc1C 465006352 GERWLNPDYIECGQ-JSGCOSHPSA-N 443.533 2.271 30 10 IEEE CCOC(=O)[C@H](CCOC)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 466741053 LJMCCKXGLAHQAH-HNNXBMFYSA-N 430.461 2.107 30 10 IEEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)CCCC1 480872038 IRTBDZMCTWEOAN-OAHLLOKOSA-N 431.436 2.472 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1NS(C)(=O)=O 502447065 QEQSUTHYJRALIO-GOSISDBHSA-N 444.538 2.392 30 10 IEEE C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC(Oc2ccc(C#N)cc2)CC1 507824708 QFLVZQFWBBHQJZ-GOSISDBHSA-N 436.512 2.368 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOCC)[C@H](CC)C1 508801424 LPIAICBASAOBRH-LJQANCHMSA-N 437.552 2.044 30 10 IEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508863924 LZPJMEQLKOEMPB-UHFFFAOYSA-N 435.532 2.080 30 10 IEEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1 527178679 QPSXXDQTKQVAFE-UONOGXRCSA-N 446.495 2.004 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCc2ccc(CO)c(F)c2)CC1 536029239 NFLJEDSDUBEJDM-UHFFFAOYSA-N 425.420 2.469 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1Cc1ccccc1 584569209 GSCHNAYHRUFAGO-UHFFFAOYSA-N 445.544 2.080 30 10 IEEE Cc1nnc(S)n(N=Cc2cc(Br)c(O)c(Br)c2O)c1=O 585658478 ICCUQTAAGJHIJK-UHFFFAOYSA-N 436.085 2.054 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)c2cccc(OC)c2)nc1C 586353692 XGWKSLDEYHPQQI-GDLZYMKVSA-N 436.511 2.373 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](Cc3ccccc3Cl)C(N)=O)cc2C1=O 593982412 GRLBFBMPWKJINL-HNNXBMFYSA-N 425.872 2.196 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)n1 610028875 ITVXXSIIFLDGQJ-UHFFFAOYSA-N 446.467 2.325 30 10 IEEE CCOC(=O)CCC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 610979346 GAGHBNFWVXVXSX-LJQANCHMSA-N 440.500 2.345 30 10 IEEE N#Cc1cncc(Cn2cnc(I)c2I)c1 721524110 WRLYXBIWHNDIJE-UHFFFAOYSA-N 435.994 2.407 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668306 FZRBESRPPULLAF-UHFFFAOYSA-N 440.528 2.478 30 10 IEEE N#C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCN1C1CC1 732673663 DDBAWIUDAMVJLB-SFHVURJKSA-N 437.466 2.424 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732707151 WDVQOYFQPMVRND-LJQANCHMSA-N 445.479 2.496 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 741712818 XSOMILNWCAOTAC-FXAWDEMLSA-N 431.583 2.473 30 10 IEEE C#CCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C)[C@@H]1CCS(=O)(=O)C1 751274631 ZPPLFKKXJHWQKV-QGZVFWFLSA-N 436.489 2.058 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1Cc1ccccc1 753359207 OAJJSWWDXQEUNZ-HNNXBMFYSA-N 449.532 2.191 30 10 IEEE COc1cc(N2CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)cc(OC)c1OC 760084758 AFJBMOMWARNBAP-UHFFFAOYSA-N 444.513 2.369 30 10 IEEE N#C[C@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)CCN1C1CC1 765457629 LUMPXHRJVPIUQO-SFHVURJKSA-N 449.540 2.272 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCn2cc([N+](=O)[O-])cn2)C1=O)NC1CC1 768487434 WPJHBTJPPOIOJT-MRXNPFEDSA-N 446.464 2.231 30 10 IEEE CC1(C)CC[C@H](CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)O1 777466632 BRAJOUHMCQOUQG-SJORKVTESA-N 444.557 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 782417193 CXIUVADZWMWVGN-UHFFFAOYSA-N 431.474 2.432 30 10 IEEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782885497 ULBKEBFTLQKDSE-MFKMUULPSA-N 448.442 2.350 30 10 IEEE CCOC(Cn1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)nn1)OCC 783865330 CURPPUCZMHGDEL-UHFFFAOYSA-N 428.493 2.064 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)CCCC1 786297335 PNTHLTYICJKRNO-UHFFFAOYSA-N 443.548 2.308 30 10 IEEE C=CC[C@@]1(C(=O)NC2CCN(CC(=O)NCCC)CC2)CCCN1C(=O)OC(C)(C)C 790289898 IETBQAOHPWIQFG-QHCPKHFHSA-N 436.597 2.439 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2ccc(C#N)c(F)c2)c1 791307991 XIVWCCRBBMCVNA-UHFFFAOYSA-N 449.504 2.489 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 794578185 GJSIIIPNYWHSSI-OAHLLOKOSA-N 443.594 2.250 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)c1ccc2cc(I)ccc2n1 796429326 LJYCDOFTAIEJOI-UHFFFAOYSA-N 439.209 2.008 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc3c(c2)OCO3)C1 797816116 GZVVOSUZJHGACI-HACGYAERSA-N 447.513 2.215 30 10 IEEE COCCn1c(CSc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802514705 HRCZOEANWQRMRQ-KRWDZBQOSA-N 428.562 2.402 30 10 IEEE C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N1CCN(C(=O)c2ccco2)CC1 803923749 YMSABELJCQJDGA-OAHLLOKOSA-N 439.443 2.238 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812387340 KIPITIRRXFVQCY-FUHWJXTLSA-N 432.521 2.056 30 10 IEEE CC1(C)NC(=O)N(CCCOC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)C1=O 918894891 UXZGMTVMKRXSQZ-UHFFFAOYSA-N 446.407 2.033 30 10 IEEE C[C@@H](Sc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)C(=O)NC1CC1 1083935522 ZFINCLXXYVPYKB-MRVPVSSYSA-N 425.312 2.478 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(C)o3)n2N)c(OC)c1 1084047107 IERJRLOPTMLNIP-UHFFFAOYSA-N 431.478 2.087 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(C)ccc3C)n[nH]2)cn1 1084266651 FEUKASNKLYHUCS-UHFFFAOYSA-N 428.522 2.441 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 1142158267 BSRXSECNYMAKBF-FUHWJXTLSA-N 435.546 2.232 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1148406681 YFCTYWQBPJGYME-QFIPXVFZSA-N 438.549 2.097 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3(c4ncccn4)CCOCC3)C2)C1 1178631090 LEHXKKSUGADQTA-JQHMZKTJSA-N 441.532 2.385 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)C1CCOCC1 1205523115 OUQRITGOCKTRJZ-INIZCTEOSA-N 435.427 2.238 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c3cccs3)CC1)C2 1235529643 KGGMAGNVNZIPSW-SFHVURJKSA-N 430.555 2.239 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286324491 QUQYXPVJIRGYAK-UHFFFAOYSA-N 430.578 2.218 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286354612 PWNMRMSCKLUGTE-UHFFFAOYSA-N 446.559 2.057 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1286429654 DRIYAQZFONXDCD-IBGZPJMESA-N 426.542 2.008 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCOC[C@@H]1C 1286463376 FISVATXZCPTMFN-IBGZPJMESA-N 434.544 2.300 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cnn(C)c2)CC1 1286472623 UVRZGTFCVGDHLW-IBGZPJMESA-N 449.559 2.354 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286756600 ZZKZFTNFZQLOGI-HNNXBMFYSA-N 436.969 2.453 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NCC)c2)C1 1286808262 BCYYJAJQQNSDAC-PMACEKPBSA-N 425.533 2.361 30 10 IEEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1296204836 MJRXUMIMIIKZHS-OAQYLSRUSA-N 429.613 2.330 30 10 IEEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1297995522 RTIYGENCCZUGLJ-HXUWFJFHSA-N 437.548 2.196 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1 1299401690 DJYOWJDTFZYNSQ-MSOLQXFVSA-N 425.489 2.155 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300409701 JSQGVDOMWNVTEB-LPHOPBHVSA-N 425.489 2.481 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(CN2CCCC2=O)cc1 1300432705 NUTDPTHQLVVWPA-UHFFFAOYSA-N 436.560 2.437 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1300489344 MKTVIFFOSTVHDH-INIZCTEOSA-N 442.570 2.088 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccs1 1300578083 HEVJHGCIDHASSH-UHFFFAOYSA-N 432.557 2.420 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCSCC2)CC1 1300691032 VNUWIKDMMQRJBS-UHFFFAOYSA-N 431.009 2.403 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC(F)(F)F)CC1 1300693267 VWCIEJPIHDWXQL-UHFFFAOYSA-N 440.857 2.032 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1300698175 OXSOVAOSAVMVPS-JCOAXYOVSA-N 441.601 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2C)CC1 1300728883 INXFVRAKQRTILI-UHFFFAOYSA-N 445.571 2.462 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](OCCOC)C1 1300751837 TVGQONGWUWNUCG-QGZVFWFLSA-N 430.530 2.282 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1301491371 QJFSNJDBRRFQGR-UHFFFAOYSA-N 436.516 2.128 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC)Cc1ccc(F)cc1C 1301498717 SRJJKKZOJHOVGP-GOSISDBHSA-N 428.512 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301569311 VLBGFEQONJNJLF-UHFFFAOYSA-N 441.598 2.496 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1301611728 GNCBBAOGLAJHKE-GOSISDBHSA-N 425.562 2.294 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNc1ccccn1 1302286396 HKGSLTNFGSELSC-MDKPJZGXSA-N 429.500 2.341 30 10 IEEE Cc1cnn(CC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)c1 1304599544 CATVVOQRFAVVFK-UHFFFAOYSA-N 432.532 2.327 30 10 IEEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSc2cccc(C#N)c2Cl)cc1 1307400055 SVOQERNIPABCDZ-UHFFFAOYSA-N 437.930 2.445 30 10 IEEE C=CCCOCCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1312418476 NWDAQULJOJECRL-VWKPWSFCSA-N 425.526 2.067 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C)n2)nnc1N1CCC(C#N)CC1 1314541637 FOVAZGPRPCXSIZ-UHFFFAOYSA-N 431.566 2.060 30 10 IEEE CN(OC1CCCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314893589 PCIDSTRHGKKVNS-UDJKBAMHSA-N 430.509 2.009 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1315239394 ZVCUSHHIEFCDGJ-ZJIOXEHGSA-N 430.553 2.497 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCC(=O)N1 1316213751 DWXAHFNGLYOIQF-NBYUQASBSA-N 438.532 2.024 30 10 IEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC=CCC2)C1 1316357915 UKJKVECKRLWOLT-RTBURBONSA-N 448.593 2.097 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358957021 ONVQRUAWFWBUEW-HOTGVXAUSA-N 449.543 2.303 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1359083206 DPTUAFWFJONWDC-NSHDSACASA-N 432.273 2.184 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359096641 FECWLZPQBMMJEJ-UWVAXJGDSA-N 425.537 2.211 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC)CC1 1359300537 FBXXANBBZPIPTP-UHFFFAOYSA-N 438.580 2.381 30 10 IEEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1359339794 QTDOHZWAFCKTIL-UHFFFAOYSA-N 428.606 2.383 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1359475585 NFRVTDKLIJBACB-QGZVFWFLSA-N 433.516 2.385 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 1444690582 VULFNBQKXFBGCL-LJQANCHMSA-N 427.526 2.186 30 10 IEEE C[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)OC(C)(C)C 1452231735 KHWCBFRKXSTPPJ-NVXWUHKLSA-N 449.573 2.332 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1462809914 TWZQPGQBECOTJM-UHFFFAOYSA-N 435.528 2.226 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)c1 1464006039 OJMGUBYMZFYNJK-UHFFFAOYSA-N 434.539 2.424 30 10 IEEE C#Cc1ccc(CNC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1470229984 DNUKNBDZODINPZ-FQEVSTJZSA-N 440.544 2.421 30 10 IEEE CSc1nc(O)c(C(=O)N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1472466528 JGFHVVVLOCHFGB-FQEVSTJZSA-N 434.518 2.233 30 10 IEEE C=CCn1c(SCC(=O)N=[S@](C)(=O)N(C)C)nc2sc3c(c2c1=O)CCC3 1472928961 INIZHJLJRDZPTG-MHZLTWQESA-N 426.589 2.326 30 10 IEEE O=S1(=O)CCC(O)(CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1473848310 MEVIODUUJCUCKY-DTORHVGOSA-N 431.345 2.029 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1496476060 KXCLSBHASYILTO-UXHICEINSA-N 434.500 2.458 30 10 IEEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1500068025 DGIOKQCYSPPJNH-QGZVFWFLSA-N 446.577 2.389 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1502374058 FLQMHURFBNKXKD-HNNXBMFYSA-N 446.939 2.498 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CCC1 1502397340 AGAHPXIQPPTHPF-LJQANCHMSA-N 449.559 2.086 30 10 IEEE CCOCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503174188 CYJQDMWQQDBBQF-FQEVSTJZSA-N 426.569 2.133 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1503759533 BDUVWTJBKVTGMQ-UHFFFAOYSA-N 434.504 2.103 30 10 IEEE COCC1(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1504623685 GKGKORXZMHYQEA-JXFKEZNVSA-N 439.557 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1507513506 AEXFVMFRXSUEPN-BBWFWOEESA-N 431.562 2.303 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1OC 1507514041 LWFBFQFHAFAHFH-INIZCTEOSA-N 441.532 2.241 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1507514674 DDXWUTNVPHUHDZ-ZWKOTPCHSA-N 442.539 2.179 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1507558741 SVAPTIQGLMZFDJ-SFHVURJKSA-N 443.573 2.115 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1507571823 OJIWKJPRVWGHAJ-UHFFFAOYSA-N 437.504 2.162 30 10 IEEE C#CCCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507574348 OIPXCPYXZUCFMW-FCHUYYIVSA-N 431.537 2.153 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507631730 SNFHNYXXPOWTFW-GOSISDBHSA-N 444.557 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1snnc1C 1507642989 FDGOEQCZIDWYKF-UHFFFAOYSA-N 430.335 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CC)CC1 1507734399 LMUYJDKRYDRHKE-JOCHJYFZSA-N 445.571 2.267 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(=O)NC 1507793714 FPZVWOQUSKAVOH-UTKZUKDTSA-N 441.532 2.270 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507968227 QITYTCIQNUCZHK-CQSZACIVSA-N 447.540 2.192 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21)C1CC1 1507988751 VKXZOANRHZODFD-IRXDYDNUSA-N 444.605 2.494 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1508092289 AXDAYGPCKISTGQ-OXQOHEQNSA-N 441.532 2.172 30 10 IEEE Cc1noc(C)c1CN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1511927958 PVODKACQVUYCBZ-ZZEZOPTASA-N 436.476 2.041 30 10 IEEE COCCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1519039052 HIIZFJCNXVBDJN-IXDOHACOSA-N 434.541 2.204 30 10 IEEE CN(C)C(=O)[C@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(F)(F)F 1528148650 DZRMTRZCLFCYKB-GTNSWQLSSA-N 430.814 2.090 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2nc(C#N)cs2)cc1 1538516938 DAEUJJKNZOUUQL-QGZVFWFLSA-N 432.527 2.077 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C2\SCC(=O)N2C)cc1 1543335180 IKCLUXSTEKWWOW-DIZYCBPQSA-N 436.559 2.265 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(N3CCOC3=O)ccc2F)s1 1545041175 BZZGZYCKCDFUSB-UHFFFAOYSA-N 439.490 2.489 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1554422501 LGJFLNTYPUXVGE-SJORKVTESA-N 430.459 2.203 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1554431387 WQRKMQWIAPTSRL-LJQANCHMSA-N 436.516 2.038 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1555327904 AWYIYBKXPNDADZ-UHFFFAOYSA-N 435.488 2.104 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 1566641633 VLDGBNDZQGUJLO-GFCCVEGCSA-N 449.982 2.103 30 10 IEEE Cc1c(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cnn1CCC#N 1584379809 FCPRKWIVFDXBGE-UHFFFAOYSA-N 441.966 2.357 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1587620213 BLWHCAKDXCZKQE-SJORKVTESA-N 436.516 2.109 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1587823607 VIMWRFWHRLZZLD-LJQANCHMSA-N 445.589 2.470 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1588399008 LHTSBZVPTHSWDU-FQEVSTJZSA-N 425.533 2.361 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1ccccc1C 1588638858 XRKJEBFCVRDBHY-UHFFFAOYSA-N 437.500 2.479 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1594943683 XAOZOTZZGMFRRI-JOCHJYFZSA-N 439.589 2.252 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1595120128 NHVHSKJXCWBRDC-QGZVFWFLSA-N 426.496 2.124 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1595545378 WVKKNYNVWLNEJU-GOSISDBHSA-N 429.521 2.476 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595650229 ZHWUNGWXWIAPHD-PGRDOPGGSA-N 438.576 2.188 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)CN2CCOCC2)C1 1595713983 JLWCKFNIBBHOGS-UYAOXDASSA-N 426.565 2.398 30 10 IEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)CC1 1596513826 GHKUBXHMHNQSIK-UHFFFAOYSA-N 426.521 2.259 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCS(C)(=O)=O 1597123838 FAVLNZZFNGZXJE-UHFFFAOYSA-N 448.568 2.348 30 10 IEEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1597180509 BPVTXACTICZFNQ-MEUCICPISA-N 436.520 2.134 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc3cc(Br)cnc3n2)c1 1611660069 BGMBLLAONOCIJW-UHFFFAOYSA-N 446.286 2.181 30 10 IEEE Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)n[nH]1 1612417544 HSTIGBNQPOAPQG-UHFFFAOYSA-N 445.531 2.251 30 10 IEEE Cc1nnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)s1 1612527634 FUAQFFUZEMYTGK-HNNXBMFYSA-N 431.909 2.448 30 10 IEEE CC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1613087544 SPAIUUALCXQCFI-NXWNEQKCSA-N 443.573 2.085 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CCOC1 1616140422 JTJXUMSALQGFES-GMQQQROESA-N 433.553 2.254 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCSC1 1617728412 GIFCDLOXZLKKLY-MSOLQXFVSA-N 446.602 2.182 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CCO1 1618683549 FMRRHVWPICCDEL-KRWDZBQOSA-N 426.864 2.063 30 10 IEEE C[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CC1(Br)Br 1623668976 GTEKBJHLRYTWEJ-CQSZACIVSA-N 428.128 2.498 30 10 IEEE CCCNC(=O)c1ccc(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)cc1Cl 1625660596 QVENPSSEOOVPGL-UHFFFAOYSA-N 435.868 2.125 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)s1 1626592023 CSDLOMFEAMYDNH-UHFFFAOYSA-N 432.527 2.235 30 10 IEEE N#Cc1cccnc1NCc1cccc(C(=O)NCCNS(=O)(=O)c2ccccc2)c1 1627254412 IOIQFLHWKNJEFW-UHFFFAOYSA-N 435.509 2.274 30 10 IEEE COc1cccc([C@]2(C)CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1629415805 MCMYXOWTUOVARL-JOCHJYFZSA-N 427.526 2.314 30 10 IEEE C#C[C@H](CO)NC(=O)c1cc(Br)c2c(c1)CN(C(=O)OC(C)(C)C)CCO2 1641574993 UXGXWJBPEFVKES-CQSZACIVSA-N 439.306 2.303 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C1CCOCC1 1641858523 QNLGPZXLZAUMGM-HXUWFJFHSA-N 444.509 2.360 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)cc1 1644513822 QCNBTZSQHHHCOZ-OAQYLSRUSA-N 434.489 2.194 30 10 IEEE C=CCn1c(SC[C@](O)(C(N)=O)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 1652469423 PABDFJUZAULJOL-XMSQKQJNSA-N 438.509 2.442 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CCO)[C@@H](CO)C2)n(Cc2ccc(F)cc2)c1C 1655116893 QPRCBNORVNUWGR-RTBURBONSA-N 428.508 2.025 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 1673763272 AUPNJOVCOHANHS-UHFFFAOYSA-N 445.570 2.209 30 10 IEEE C#C[C@@H](NC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1)[C@@H]1CCCO1 1681815991 BRPWCUCDHZDGSB-CVEARBPZSA-N 437.290 2.321 30 10 IEEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1683521520 GZBCDLFHANCCBY-HXUWFJFHSA-N 435.594 2.433 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCC2CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1689980519 SZHPFJLVKSSXFO-LJQANCHMSA-N 443.573 2.260 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1689999852 JUOUNDPVZHJNOZ-YJBOKZPZSA-N 449.964 2.002 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690043727 LPSRFWZVWLNYPZ-JOCHJYFZSA-N 447.587 2.054 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CCC)CC1 1690124482 MCQCIMRGJCHSFQ-NZQKXSOJSA-N 425.533 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2cccn2)CC1 1690140183 PQIFWIQDQKILHK-UHFFFAOYSA-N 447.543 2.206 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC(=O)NC 1690241392 RTAOQDLGNNNYGE-OXQOHEQNSA-N 427.505 2.227 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1690265426 ORDNAAPKSMXQFM-GOSISDBHSA-N 437.566 2.272 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCn1cnnn1 1691328595 FUNCLSHHDHTWKA-QZTJIDSGSA-N 427.557 2.404 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC(=O)NC(C)C)c1 1705505503 PBVILFLVPDIQRN-UHFFFAOYSA-N 433.516 2.244 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705558764 HGRNCTBEUDFVFP-MIVHDCIWSA-N 445.564 2.456 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1Cc1ccc(C(N)=O)nc1 1705625649 RPSJLBZUIRIQRI-UHFFFAOYSA-N 442.458 2.056 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CC=CCO2)n1 1705631587 JLMXYQXYDTVTPZ-FQEVSTJZSA-N 435.532 2.111 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705660365 TYSSHBBMQHPHGN-LJQANCHMSA-N 437.573 2.479 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1705709030 KDXTZYFBBVLIRI-CBQOVEMMSA-N 434.500 2.439 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1705844300 ZNCGSTRRIBJRFP-CVEARBPZSA-N 448.568 2.123 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)C1 1705895917 XANIDRMPEUHHJR-SFHVURJKSA-N 437.342 2.343 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCc2c(ccnc2O)C1 1705903976 AWWCGFZMSWLVOJ-UHFFFAOYSA-N 440.454 2.113 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705907377 KNGAMCWFKMLNKK-IEBWSBKVSA-N 427.549 2.378 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1706066708 NQSAHBOJZGGODT-RDJZCZTQSA-N 433.557 2.472 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1-n1cccn1 1712522194 QJKDMOZDJMATAK-QGZVFWFLSA-N 436.520 2.371 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@]2(O)CCSC2)cc1 1712879495 CDYTVLZFXXIKPK-QAPCUYQASA-N 439.463 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1nc(C(F)(F)F)cs1 1722425274 SRHMRXIVWXCAMK-UHFFFAOYSA-N 439.467 2.483 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccccc2)CC1 1722433401 UNOPDLUHLBINCB-XMMPIXPASA-N 439.560 2.153 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(C)C)CC1 1722437587 GZRCVVGOGJMNFW-UHFFFAOYSA-N 433.560 2.476 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1722467824 GCXZOWSMXWMJOK-PGRDOPGGSA-N 444.557 2.146 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F)C1CC1 1722651027 CMAWPMDXUJGLPL-UHFFFAOYSA-N 442.467 2.103 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OCC)CCCC2)C1 1722717555 BWSDOLBDNLSCMJ-ROUUACIJSA-N 438.594 2.311 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1726636818 ZOCGUQAYSKEMJM-NSHDSACASA-N 444.293 2.216 30 10 IEEE CO[C@]1(Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1729955418 YJCUTVSCMATIHX-FCHUYYIVSA-N 433.553 2.254 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1730724006 JBGUGVUTNYMGIT-SFHVURJKSA-N 427.505 2.355 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1731179859 GREBFCNPCXTSEY-SGXKBVARSA-N 444.486 2.445 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(N(C)C)nc1 1740640709 UQHXTVFKJDYSRH-NRFANRHFSA-N 428.496 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(CC(F)(F)F)C1 1740658331 KGYQMNKOIWUCBX-IBGZPJMESA-N 447.509 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(OC)CCCC2)CC1 1740705438 HDXSNMMFTNVSSF-IBGZPJMESA-N 429.565 2.097 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)CC1 1740764761 YMEOERWGWLKZOA-NQIIRXRSSA-N 430.574 2.450 30 10 IEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740867400 ISGLROLNPBVXFR-UHFFFAOYSA-N 446.596 2.238 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1740942657 YFDOBJOBUDQISP-MRXNPFEDSA-N 439.607 2.097 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1COCCO1 1741195685 AGISRDJHSYRDMW-LJQANCHMSA-N 439.564 2.265 30 10 IEEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C 1746441744 APXRQMOXJXYMAX-GOSISDBHSA-N 434.548 2.238 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(CC)CC 1748665922 XGHFZYGIMHMFPA-QGZVFWFLSA-N 431.610 2.428 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1748724850 JXBHNGFJWOMEOU-JOCHJYFZSA-N 439.608 2.492 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1748816964 BOEGBGOKVWAQRK-CVEARBPZSA-N 449.602 2.037 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCOCC1 1748868911 MNQOAAIOGZDQMN-UHFFFAOYSA-N 432.322 2.040 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1749038635 VIOBNHYCBXSZQC-LJQANCHMSA-N 441.557 2.216 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1749139450 FKJAGUSQLQVDHJ-SJLPKXTDSA-N 439.626 2.417 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749358048 BGZCKAULFNPSCB-IBGZPJMESA-N 440.596 2.024 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1749684438 WXBVDSZULFEOHQ-INIZCTEOSA-N 444.561 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1749731029 ZGAASPGIOGBWSO-LJQANCHMSA-N 441.557 2.322 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1749858375 GZEPPONAACHWQS-DVECYGJZSA-N 447.543 2.442 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752006340 VEAIRHPAIXGJDC-FNJUQIQDSA-N 435.532 2.273 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1760164853 BKBQZTDQWNCOGO-LJQANCHMSA-N 442.507 2.219 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccnc(SC)c1 1760170634 KABQKHLDKNMUSP-UHFFFAOYSA-N 441.586 2.473 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1760187336 JEQCDIJJNRXNHS-KRWDZBQOSA-N 449.964 2.300 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(CC)CC)nc1 1760221956 QUOMVXULFXQAMK-UHFFFAOYSA-N 433.560 2.153 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)c2ncc(C)s2)CC1 1760257252 RWLHLXMXAZHBED-HTAPYJJXSA-N 444.605 2.254 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760367618 SCOVJQVWDYMVMT-ROUUACIJSA-N 427.977 2.303 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1760491003 PVSKELVPCTVFBM-UHFFFAOYSA-N 432.506 2.067 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1760530021 OMXVFKNWSXNPKS-HKUYNNGSSA-N 425.533 2.452 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCOCC2)C1 1760546501 PQCXQFLSFJDPGN-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CO)CC1 1760553359 AYOPSZPYKCYHJK-UHFFFAOYSA-N 429.546 2.236 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCn3cc(C(F)(F)F)nc3C2)nnc1C(C)(C)C 1760558443 PAWUBIJYGUONGZ-UHFFFAOYSA-N 446.499 2.412 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)C1 1761542703 LGFZJCGQKPGSOX-FQEVSTJZSA-N 439.911 2.277 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1763640600 JITUSICQDXLEIX-PLNGDYQASA-N 449.515 2.216 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1764553170 HDZQGDABSPFGLF-WOJBJXKFSA-N 441.532 2.344 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCO)C[C@H]1c1ccccc1 1770756980 RFSBWLCPWHXACS-ZCNNSNEGSA-N 443.573 2.086 30 10 IEEE Cc1nn(C[C@@H](C)C(=O)N=C2NS(=O)(=O)c3ccccc32)c(C)c1Br 1851091483 BYNLUTSTTRNWLF-SECBINFHSA-N 425.308 2.164 30 10 IEEE COc1ccc(N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2nccc(N(C)C)c2C#N)cc1 1852428043 ROUWEUVGDJKAGK-LJQANCHMSA-N 443.529 2.117 30 10 IEEE CC(=O)N1[C@@H](C(=O)Nc2c(C#N)cnn2C)CSC12CCN(Cc1ccccc1)CC2 1853036169 GNQNNAGJIJVOMT-LJQANCHMSA-N 438.557 2.186 30 10 IEEE COc1ccccc1S(=O)(=O)C[C@@H](COc1ccc(C#N)cc1)OCC1=NCCO1 1853364522 XAYUDYKPPZIGHW-GOSISDBHSA-N 430.482 2.233 30 10 IEEE COc1ccc(C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)CC#N)C2)c2ccccc2)cc1 1856982985 DLEYYNVCVWNJRH-PMACEKPBSA-N 430.482 2.034 30 10 IEEE N#Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCCS3)C2)CC1 1857249573 SXGVMWPPCQUBSW-PKOBYXMFSA-N 428.558 2.315 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OC)cn1CCCO 1870746308 LUZSZQMFXFQBQQ-UHFFFAOYSA-N 441.528 2.431 30 10 IEEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N3CCN(CC)CC3)ncnc21 1873594857 DOPQBCIFKHLHDX-UHFFFAOYSA-N 439.608 2.365 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3SCC(=O)N(C4CC4)[C@@H]3c3cccnc3)C2)c1 1889540730 MYJZJWLUUZOOMN-QIJUGHKUSA-N 449.536 2.176 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1ccc(OC)cc1 1890025777 OWWBBPGITBQYQX-FCHUYYIVSA-N 429.586 2.304 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2060628395 WZJZYUIMSXIQPN-WBMJQRKESA-N 438.305 2.338 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640628 WXQIGMRRLUNARD-NWANDNLSSA-N 432.330 2.264 30 10 IEEE C#CCn1ncc(NC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c(Br)c1=O 2162286498 QOWZWSFYSOUIAB-GFCCVEGCSA-N 441.326 2.423 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H](CS)C(=O)O 2229106340 TZVWCDUERBDLCX-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255601679 HUPFMCFYCAYWKD-UONOGXRCSA-N 434.346 2.179 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255641051 WKLUFEKDSOUENO-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255803648 RHWNOLCVJNCGTB-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CC(N)=O)Cc1ccccc1 2255822031 JJKGHWJOQGTNLU-UHFFFAOYSA-N 425.338 2.496 30 10 IEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830897 MJBVJIBJDHCVNZ-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266064629 CVWSNIOVMROHKC-JKSUJKDBSA-N 449.332 2.344 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267498504 VDDVXZYZVAOAAZ-UHOFOFEASA-N 447.316 2.258 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCOCCOCc2ccccc2)n1 2267498984 OFTCBXOPMJOLPZ-UHFFFAOYSA-N 443.353 2.073 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2267528372 RIQGBOCUAAAPLB-OAHLLOKOSA-N 448.373 2.189 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c(O)cc2O)OC1(C)C 2267803860 MZQWBRNLELBRFV-QGZVFWFLSA-N 438.333 2.401 30 10 IEEE CN(CCCCN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267879094 FELJURWOLAFFTK-UHFFFAOYSA-N 448.373 2.495 30 10 IEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267880596 VAOCIFSVFPYCRN-HUUCEWRRSA-N 446.357 2.246 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268650183 HQKDGPXETOLQQK-SFHVURJKSA-N 445.369 2.475 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268712808 XJXBYQUHAVURPC-SFHVURJKSA-N 448.369 2.220 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2296296288 MEKFAWNSVOMQHP-FXAWDEMLSA-N 439.350 2.387 30 10 IEEE C=CCN1C(=O)NC(=O)C(=C2C[C@@H](c3ccc4c(c3)OCO4)N(c3ccccc3)N2)C1=O 2296348797 KRSGXIFCLIMEBA-KRWDZBQOSA-N 432.436 2.390 30 10 IEEE COc1cc(C=Nn2c(C)nnc2SCC(=O)NCc2ccco2)cc(OC)c1OC 2321139521 MWHRBIHRBJNQEC-UHFFFAOYSA-N 445.501 2.496 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 2331675387 MDOALYOTUMODSM-GOSISDBHSA-N 427.530 2.468 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263155 OGULWNCOAYYKKB-IJEWVQPXSA-N 446.357 2.227 30 10 IEEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@H](O)c2scc(Br)c2Br)CC1 2367816715 PMIIBBHUUCUZLQ-PSASIEDQSA-N 443.182 2.214 30 10 IEEE COC(=O)c1ccc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCOCC2)cc1 14160589 LDSUOOJWMMPHFK-UHFFFAOYSA-N 428.518 2.377 30 10 IEEE CC(C)c1nnc(CNC(=O)CSc2nc(N/N=C/c3cccc([N+](=O)[O-])c3)n[nH]2)o1 59878378 ARBXCLYDZFYYDP-FBCYGCLPSA-N 445.465 2.074 30 10 IEEE C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nnc(C)s1 101164349 VWPOBPDBRWNHCZ-UHFFFAOYSA-N 447.521 2.424 30 10 IEEE C#CCN(CC(=O)Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCS(=O)(=O)C1 111046493 XFJGPEBTHVLKKR-LJQANCHMSA-N 429.567 2.435 30 10 IEEE N#CCC(=O)NCc1ccc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 219656869 AZVLSHGQORBRGL-UHFFFAOYSA-N 449.423 2.140 30 10 IEEE CC(=O)OCC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 301054735 HYRKAAMZBDSJFJ-FDWIHWCOSA-N 434.504 2.322 30 10 IEEE Cn1c(=O)c(C(=O)CN[C@H](CCCC#N)c2ccccc2)c(N)n(Cc2ccccc2)c1=O 433035750 YZFBMIQDKAOUAA-HXUWFJFHSA-N 445.523 2.385 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C)C(=O)OC 435946768 BXDTYEIEPRITIL-ZVDOUQERSA-N 427.501 2.427 30 10 IEEE C=CCn1c(S[C@@H](C)[C@@H](C)O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 445589264 RGAWHUTUFKYEIZ-CABCVRRESA-N 438.575 2.013 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464904786 PEDJNRKZWYUTGW-GOSISDBHSA-N 434.548 2.233 30 10 IEEE Cc1c(Cl)cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1[N+](=O)[O-] 465501322 UHOVRZHRJLHTSP-LLVKDONJSA-N 436.881 2.118 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 466107517 NHPGOYZSSSNDMF-GOSISDBHSA-N 446.504 2.229 30 10 IEEE Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 480541238 ZZGBDYDMOZFEOM-UHFFFAOYSA-N 431.562 2.165 30 10 IEEE CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1 483677522 ICKPLXQRKVPRTO-UHFFFAOYSA-N 425.489 2.430 30 10 IEEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F 483775022 PTRPAUSZVUUKBI-MNOVXSKESA-N 439.353 2.393 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)c1C 485042984 MFIHTGJNUAMNOP-HSZRJFAPSA-N 437.500 2.096 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCNC(=O)c2ccccc2)cc1 506474910 QRJFGGPWPXUQNI-UHFFFAOYSA-N 430.530 2.435 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2)cc1 508229113 AULBYYXGMHEPSI-UHFFFAOYSA-N 449.559 2.113 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3OCC[C@H]3c3ccccc3)n2CC=C)CC1 509009993 GJWRNBVYWCLVCD-UNMCSNQZSA-N 436.560 2.134 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NCCCN3CCN(c4ncccn4)CC3)cc2)nc1 518389737 BPBUIBFRRYSRKN-UHFFFAOYSA-N 443.511 2.478 30 10 IEEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 518788043 HNENMDBMOVCKQN-HXUWFJFHSA-N 427.526 2.193 30 10 IEEE C=CCn1c(Cc2noc([C@H](C)Cn3ncc4ccccc43)n2)nnc1N1CCOCC1 519563553 CBDHDOVBEAWQQU-MRXNPFEDSA-N 434.504 2.428 30 10 IEEE CC#CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOCC)C(=O)O 541931410 WYHUAFWAOSTFHQ-CYBMUJFWSA-N 434.308 2.009 30 10 IEEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 544885144 PCENVQYTGZMCTH-QGZVFWFLSA-N 427.530 2.037 30 10 IEEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1Cc1cccs1 549567138 JTDWRCZDVAJVBR-UHFFFAOYSA-N 442.570 2.333 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 568449411 DEUHQMJNHPFKQX-YJBOKZPZSA-N 435.550 2.003 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3c4c(cccc4C(=O)OC)NC(=O)[C@@H]3C)cc2C1=O 582266574 ZFCQJYWQIUKWNZ-LBPRGKRZSA-N 433.420 2.243 30 10 IEEE COC(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 609046154 OCFAHFQHAPFSNS-UHFFFAOYSA-N 441.509 2.062 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOC 726575231 SAYSGTAXNYZYNZ-LBPRGKRZSA-N 449.916 2.236 30 10 IEEE CC(C)(C)OC(=O)CSCC(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 741426731 IBGFYKHHAOXTAC-UHFFFAOYSA-N 438.449 2.457 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 743349113 RCBINRKFAYUMTI-HXUWFJFHSA-N 444.944 2.449 30 10 IEEE COc1ccc([C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)NC(C)=O)cc1 754380759 WKHSIGFFFBUWEQ-IEBWSBKVSA-N 430.505 2.234 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 757298135 VVNKBENLOXUKGQ-YGRLFVJLSA-N 449.476 2.330 30 10 IEEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758050059 BWCCSHFMNHYLMR-UHFFFAOYSA-N 439.606 2.464 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C)c2)C1 760300151 BAOSUKIRESWTMP-ZWKOTPCHSA-N 443.573 2.399 30 10 IEEE CCC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)C1 761852095 GMEBTTZLYCSJCO-WMZOPIPTSA-N 439.541 2.169 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 777754422 DUZOAQXFSWLKOX-RYRKJORJSA-N 443.552 2.214 30 10 IEEE COc1cc(OC)c(S(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c(OC)c1 778764300 MYNCVBUQIKJMNP-UHFFFAOYSA-N 445.453 2.395 30 10 IEEE C#CCOc1cccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 784623741 DYKBLLZTJYOMJF-LJQANCHMSA-N 442.493 2.229 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1 788817806 BBKCJWBBMFOGDZ-GOSISDBHSA-N 428.920 2.193 30 10 IEEE COc1ccc(S(=O)(=O)N2C/C(=C/c3cocn3)C(=O)/C(=C\c3cocn3)C2)cc1 790219186 GLBYITWSFJUAIK-LRSUZXNRSA-N 427.438 2.412 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794577484 UZECBVFZVUIORK-UHFFFAOYSA-N 433.537 2.185 30 10 IEEE C[C@@H]1COCC[C@@H]1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 795174642 BUQQHTQAVGXHGT-LMMKCTJWSA-N 432.590 2.359 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H]1c1cncn1C 796087772 JODDAMYWIJDUJC-XKIVJUNCSA-N 431.537 2.096 30 10 IEEE N#C[C@@H](C(=O)CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1nc(O)c2ccccc2n1 796145709 NONVMCDUTGLIKV-ZFWWWQNUSA-N 449.433 2.292 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCc3ccccc3S(=O)(=O)N(C)C)cc2C1=O 802916721 LFMBOJLKEXPVBK-UHFFFAOYSA-N 428.466 2.076 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(F)c(Cl)c1 839367673 CQXQNICILQVPNZ-UHFFFAOYSA-N 448.870 2.299 30 10 IEEE CSc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cc1 916777637 NRWQUEMVIAGTIK-INIZCTEOSA-N 429.523 2.279 30 10 IEEE Cc1ccc(C=NNc2nnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n2N)cc1 1083886573 SAZSNXOKMSFHNL-UHFFFAOYSA-N 444.609 2.264 30 10 IEEE Cc1cccc2c1C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N2C(=O)OC(C)(C)C 1136672330 KDDAXJDKGRGQMI-DPPKGPFUSA-N 440.500 2.304 30 10 IEEE COC[C@@](C)(C#N)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1137349214 KJZHDNNANROUGE-AZUAARDMSA-N 435.571 2.285 30 10 IEEE Cc1c(Br)cnn1CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1141515081 OEWIASKGIJMSIK-UHFFFAOYSA-N 442.321 2.343 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccnc2OCCO)c1 1141878156 OUKVABQKIHYYNW-CLCOLTQESA-N 446.529 2.298 30 10 IEEE COc1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)ccc1OCC(=O)NC(C)C 1158216268 RHJHZRZPDXUXGA-UHFFFAOYSA-N 428.514 2.312 30 10 IEEE CC(C)[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 1161688879 CFLGIXSHKWEAIE-WOJBJXKFSA-N 435.933 2.364 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4ccsc4C#N)CC3)=NO2)C1 1166622931 LTPCKYGEUDJQGG-UHFFFAOYSA-N 431.518 2.034 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccncc1 1169736424 RMQVGAJDDSYMSL-XHSDSOJGSA-N 441.912 2.199 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C)c([N+](=O)[O-])cc3C#N)CC2)cc1 1184750716 PWXKDHCFRNUCOI-UHFFFAOYSA-N 428.470 2.488 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCn3cnc(C(F)(F)F)c3C2)CC1 1197395386 YBFBXTRSKGDWNP-CQSZACIVSA-N 438.479 2.188 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C(N)=O)CCOCC1 1286283954 VTBLFGRWPGEFTM-CQSZACIVSA-N 431.924 2.347 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286291702 FIVYWUUXAFGMGE-CTNGQTDRSA-N 436.560 2.326 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286342125 MNCZWZFRBWJMMU-KRWDZBQOSA-N 429.496 2.266 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286450762 KNEJZWSSLZASST-LJQANCHMSA-N 445.589 2.357 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc([C@H](C)O)cc2)CC1 1286489836 FUSVHBLKYLTORM-SFHVURJKSA-N 444.539 2.408 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1286503891 GHEZKMRUDDOMDI-MOPGFXCFSA-N 427.574 2.464 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286553938 WHLHVVYCDJMWEB-UFYCRDLUSA-N 441.557 2.421 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 1286645649 GTBBXRHRJDNMFV-SJORKVTESA-N 446.552 2.022 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1286959341 FRIYSYWWPNZXAU-HOTGVXAUSA-N 425.493 2.064 30 10 IEEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1291271594 CWWMKPHQJOCCIY-SKRHAUIRSA-N 428.537 2.151 30 10 IEEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1294658278 OKOMYIKVUWYJIU-KNQAVFIVSA-N 448.637 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1300269973 ABBCMQMCMYPUTN-JKSUJKDBSA-N 446.577 2.111 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCCC2)c1 1300333669 BIPVTIHQWMLHID-HXUWFJFHSA-N 436.560 2.324 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)Cc1cccs1 1300410684 PRFUSDILHUSBCI-SFHVURJKSA-N 449.602 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1300506781 YMSNNFCIMBKQIN-LJQANCHMSA-N 449.555 2.483 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(=O)N(C)C)c1 1300541276 PMFAMFZEQCDDMH-UHFFFAOYSA-N 432.553 2.457 30 10 IEEE CC(C)(C)c1ncc2c(n1)CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1301279892 XZSQIDQHYOEZJY-LJQANCHMSA-N 446.511 2.436 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301493149 VDIATCHUSMACMX-HOTGVXAUSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)OC(C)(C)C1 1301500358 LPJBGSQDWVHIQL-YJBOKZPZSA-N 427.505 2.097 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(OC)(OC)c2ccccn2)cc1 1310130737 DOUNGSWOASCYFO-UHFFFAOYSA-N 434.518 2.155 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(F)CCC2)CC1=O 1316130177 VZYUHGUFPQSJNC-UHFFFAOYSA-N 426.496 2.394 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCOCC1 1358970904 AGDIRRUROMFEHS-INIZCTEOSA-N 445.365 2.077 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358976739 OSRWMRABROSHOW-PMACEKPBSA-N 446.534 2.067 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1NC(=O)CC1(C)C 1358994848 XQKFFTJZOKSUMZ-VQTJNVASSA-N 433.512 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)CC1 1359033224 UNISSGMFPZSYGX-UHFFFAOYSA-N 445.493 2.456 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359058138 TZDAQWNERLQUKL-UHFFFAOYSA-N 426.590 2.269 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO 1359230573 YLHKGRAIKLJTQI-FQEVSTJZSA-N 426.565 2.044 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1359332688 DNSXSEMBPWOIRT-RTBURBONSA-N 448.593 2.038 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1359342828 GCIXULHILWKCHU-KRWDZBQOSA-N 440.635 2.496 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359343364 RMWOQZNMUYRVEX-LPHOPBHVSA-N 426.608 2.106 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C2CC2)C1=O 1359929496 HNXCIJVASIQBJB-JTSKRJEESA-N 427.553 2.006 30 10 IEEE N#Cc1c(F)cc(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1F 1448190722 YEFLRTOXMZLJMG-MUPIXQSSSA-N 438.434 2.256 30 10 IEEE C#CCn1cc(CNC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)cn1 1448875070 IFAWMPOLTGZTIK-UHFFFAOYSA-N 449.492 2.301 30 10 IEEE C#C[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccccc2I)cc1 1450328847 GWOXKROCWVGDSV-CQSZACIVSA-N 448.260 2.196 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)C2)nc1 1456065765 SRBHSXJOULHLSL-NHCUHLMSSA-N 449.511 2.394 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1456872861 YCTJGOSFOMTGGS-GCJKJVERSA-N 447.557 2.379 30 10 IEEE C#CCN(CC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)C(=O)OC(C)(C)C 1465753714 JOJRAEHULDCDGF-UHFFFAOYSA-N 431.508 2.299 30 10 IEEE C=CC[C@H](CO)CNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1466522603 RLKBECZYDWPZFQ-STQMWFEESA-N 429.468 2.312 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C(F)(F)F 1471161871 OROHVIMKCINTOD-CABCVRRESA-N 433.452 2.460 30 10 IEEE N#Cc1cncnc1N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1472736858 CSDKBDDJJDLMDI-UHFFFAOYSA-N 428.337 2.073 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 1478396920 NJGWPMFEJCRTBH-YJBOKZPZSA-N 433.350 2.260 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C1CCOCC1 1479008479 UOJUNYDIWPUAQO-OAQYLSRUSA-N 447.601 2.365 30 10 IEEE C[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1493768474 PBIAJKDYSYXSTO-BFQBXFRASA-N 435.532 2.417 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507532162 CGIJWDMSWKCOBW-NXEZZACHSA-N 429.834 2.141 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507557565 MGNKJOJCAYFIHU-UHFFFAOYSA-N 436.516 2.278 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507635807 VSEDBNAMKWPPHE-HXUWFJFHSA-N 427.574 2.471 30 10 IEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1507638881 TVXNUZSAVDDKQT-KSZLIROESA-N 438.594 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N(C)C 1507650911 WZNKIHBYACANMV-GOSISDBHSA-N 428.581 2.416 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)cc1 1507686955 IKKOESCDIDUZQA-UHFFFAOYSA-N 434.500 2.204 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[S@@](=O)C(C)(C)C)CC1 1507735121 KWQBZRXMPLJXNU-WJOKGBTCSA-N 441.601 2.458 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507753856 PALZULCQTOSESY-CQSZACIVSA-N 442.557 2.383 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507786687 CWGFTTAIEDYIBD-CQSZACIVSA-N 442.383 2.432 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1507843630 PFQSNONAPFPBCP-WOJBJXKFSA-N 447.580 2.376 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507932606 VGHVFQVCQDRXMJ-HXUWFJFHSA-N 425.581 2.383 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1508040719 YFWKZWJJGLJURU-NRFANRHFSA-N 432.594 2.120 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1508782498 GFCTZNQWWADYIM-XMMPIXPASA-N 449.559 2.036 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1510102766 APXGITRWGJVZHF-MRXNPFEDSA-N 439.564 2.079 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)C1 1510292708 PBVWCBHVQLZHQB-KNQAVFIVSA-N 427.505 2.320 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1512579378 HAKFGHMSSUSPIC-HXOBKFHXSA-N 441.532 2.131 30 10 IEEE COCCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1519346822 GYJPTCYKNIWPBL-QUCCMNQESA-N 427.505 2.322 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 1521128936 HKRGZCWHYWNAEH-ZDUSSCGKSA-N 433.394 2.495 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539124076 KLZYVMAZNHJEQB-DEOSSOPVSA-N 434.544 2.405 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 1539126149 SZKAFAHBTMJDOQ-HKUYNNGSSA-N 437.610 2.429 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1539142590 UTEWKCPIRVPIGH-SJORKVTESA-N 430.553 2.430 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 1539177998 DEBZNYBHPZLVHD-KSZLIROESA-N 433.553 2.207 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539203809 VKKSFWNQLVFOOG-KGLIPLIRSA-N 436.500 2.170 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1539216763 WULKZRRWGJHLHD-SFHVURJKSA-N 443.479 2.293 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(CC)nn(C)c2CC)CC1 1539447675 UVTSEHOUJPRUDD-NRFANRHFSA-N 425.581 2.182 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539517390 MZUXOSFUXSOMNZ-MRXNPFEDSA-N 429.521 2.141 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2CCOC[C@H]2C1 1539527137 VDDQBXZJWQGPQU-HXUWFJFHSA-N 441.601 2.307 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539801440 AMOFQFLHVUJDOE-RTBURBONSA-N 444.967 2.273 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539820869 RPKOSBCRVYGDDA-HNAYVOBHSA-N 427.933 2.348 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539887708 GIACMJUYNUSCPD-IRXDYDNUSA-N 429.487 2.448 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1540028572 PLDBOEOBIQNNHV-SFHVURJKSA-N 437.552 2.044 30 10 IEEE C=C(CN(C)C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1540716444 ZAZIESCXUSBNJH-PDGQHHTCSA-N 433.530 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1540903190 AJLQKFDOKRQORL-CRAIPNDOSA-N 431.518 2.130 30 10 IEEE Cc1ccoc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1542101759 GOLVUDKKKPUICX-INIZCTEOSA-N 440.529 2.237 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H](O)C1 1554149936 DHQRJWBJDFHKDW-VAMGGRTRSA-N 443.573 2.239 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)C1 1555798661 JCQJIXNECSTQTJ-IBGZPJMESA-N 429.546 2.257 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSCc2ccccc2F)CCO1 1555992098 GOQJENSHXHJECH-KRWDZBQOSA-N 444.536 2.315 30 10 IEEE C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556317675 INCRHKJKBUUHRP-OAHLLOKOSA-N 431.489 2.415 30 10 IEEE O=C(NCCS(=O)(=O)C(F)(F)F)c1nnn(-c2ccccc2F)c1C(F)(F)F 1557453351 GQOHGQUADLRJRR-UHFFFAOYSA-N 434.293 2.090 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN=[S@](=O)(c1ccccc1)C(F)(F)F 1558101797 PKQQNNLPHPCTPM-SFYKUEKMSA-N 444.435 2.066 30 10 IEEE C#C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1 1564999745 OXMNXSDWDCGNML-FXAWDEMLSA-N 436.350 2.038 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3ccc(OCc4ccccc4)cc3)C2)c(=O)nc1O 1565145348 JDFSYEYDBXFYDT-UHFFFAOYSA-N 431.452 2.166 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](CF)c3ccc(F)cc3)CC2)cc1 1565243016 QRTPVFLWCCGOJK-IBGZPJMESA-N 434.468 2.424 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 1565393500 QUABOHNDWLDHTR-ZWKOTPCHSA-N 433.553 2.368 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1570093050 CRCRTINLPNJZSR-HXOBKFHXSA-N 440.500 2.344 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cn(C)nc1I 1584405041 FTWRZLFVOXAHJG-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCC[C@@H](OC)C1 1585224967 GNHWJGKPTZVNKQ-ISNZEAQHSA-N 447.919 2.428 30 10 IEEE C[C@@H]1CN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)O1 1587797691 BDUTVGQMHMKONV-RZNZFNDQSA-N 434.581 2.389 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)CC1 1588753031 ZTZHMZWGVYRASC-SFHVURJKSA-N 442.539 2.227 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2csc(C(C)(C)C)n2)CC1 1588800232 BHWMIPIDPAAWCX-UHFFFAOYSA-N 438.605 2.431 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC#C)CC#C 1588975254 GAEJLMJROVTYRQ-UHFFFAOYSA-N 425.945 2.301 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1 1589481622 BDFLEWBIARSLEZ-VQIMIIECSA-N 434.504 2.333 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCNC(=O)C(C)C 1589558952 NDAIUJYRQSGBIP-FPOVZHCZSA-N 426.565 2.454 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1589657966 OSRIUTIJZPRDEQ-IBGZPJMESA-N 440.548 2.186 30 10 IEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1593696368 OFZVXEMZSIFKCO-SFHVURJKSA-N 444.923 2.183 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1594784268 VMTABCBLYMAPAD-HSZRJFAPSA-N 443.523 2.344 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c1 1594973531 GGVTVYUVJNGQQF-QPPBQGQZSA-N 437.565 2.192 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2OC)C1 1595745528 SFVAUSIFDMHXIU-SFHVURJKSA-N 429.496 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1595796679 BIWGHEYOLHHJBZ-KRWDZBQOSA-N 448.545 2.138 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1598195102 GYVMHPVCSNOZAS-WOJBJXKFSA-N 435.525 2.198 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1cccs1 1602684787 GDHWVHPRBCYIMC-UHFFFAOYSA-N 437.529 2.428 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1608553424 ZCWXEODQTDTMDP-CYBMUJFWSA-N 439.442 2.002 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1C[C@H]1C 1611716712 CALDPWUUQSHBOW-CGHHPOIWSA-N 428.562 2.288 30 10 IEEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc([N+](=O)[O-])c1N 1611773919 KFQHIDJFIOBANR-UHFFFAOYSA-N 427.895 2.274 30 10 IEEE CCOC(=O)c1ccc(N2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)nc1 1616238688 BNQFXFVSFDGESD-UHFFFAOYSA-N 446.507 2.070 30 10 IEEE C=CC[C@H]1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1618573458 PSVQGSZJUKAWJJ-INIZCTEOSA-N 433.530 2.194 30 10 IEEE COC(=O)C1CC2(C1)CN(C[C@@H](O)COc1ccccc1C#N)C[C@H]2C(=O)OC(C)(C)C 1620571664 BTWASRRAMWPAEZ-PYQXHLOTSA-N 444.528 2.141 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1621714765 CKIVUAVOXISTFJ-CYBMUJFWSA-N 434.497 2.352 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3ccccn3)cs2)cc1 1631340584 MOBYDZZYGRUYRK-UHFFFAOYSA-N 427.511 2.327 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CS[C@@H](Cc3ccccc3F)C(=O)N1)C2 1639989043 FYTGJHXHSYFZKQ-CVEARBPZSA-N 430.530 2.069 30 10 IEEE Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1644966075 FUVSBWNHWVHHGX-INIZCTEOSA-N 428.489 2.324 30 10 IEEE Cc1ccc(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1645377999 PZWBUCJWVDITDS-UHFFFAOYSA-N 438.550 2.172 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1645916862 LOGHUMHSMIIIQX-OAQYLSRUSA-N 436.509 2.054 30 10 IEEE C=C[C@@H](CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1)c1ccccc1 1646090955 LJXXWHWORWBTEZ-FQEVSTJZSA-N 427.570 2.469 30 10 IEEE Cc1c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)nnn1-c1cccc([N+](=O)[O-])c1 1648937915 UAFVPKCREYNRLA-UHFFFAOYSA-N 435.419 2.457 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC4(CC3)CC(=O)C=CO4)cc2F)C[C@@H](C)O1 1655740205 OBKWMHBILNBWBR-QZTJIDSGSA-N 445.535 2.393 30 10 IEEE C#CCCN(CCOC)C(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1663329723 BVNLYIAATUZEJJ-UHFFFAOYSA-N 437.338 2.231 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OCC 1663905640 QOMPYYYGRUSROL-SFHVURJKSA-N 444.575 2.037 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C(=O)N(C)Cc3ccccc32)cc1 1665970257 YHLLROPZSFLDFM-IBGZPJMESA-N 428.514 2.328 30 10 IEEE C#C[C@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)C1CCOCC1 1684037204 UYFKKCOZPCZUPW-ACJLOTCBSA-N 427.314 2.467 30 10 IEEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1684684667 IDWLTRBPPOHZGK-YADHBBJMSA-N 435.528 2.325 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(CC)nn(C)c1OC 1690004835 HVIABQOZWLDWPB-UHFFFAOYSA-N 448.527 2.388 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)c1ccccc1 1690103221 BBBXGTWJLQMRSK-ICSRJNTNSA-N 430.574 2.460 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CC1 1690119661 NKPXFUHQZGKWHK-UHFFFAOYSA-N 431.475 2.185 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccon1 1690170149 AHRPJYNGDWGVKK-UHFFFAOYSA-N 435.513 2.183 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1690366260 VBVWMSFVOKGBDF-QFIPXVFZSA-N 430.553 2.439 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690480742 PEQRFOLJIHGUQP-NRFANRHFSA-N 445.593 2.167 30 10 IEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC(=O)N1 1690585040 AXBCXCQFKDAEIH-MRXNPFEDSA-N 443.577 2.004 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2scnc2C)nnc1[C@]1(OC(C)C)CCOC1 1690676987 KEAZRISHVJDLGJ-FQEVSTJZSA-N 434.566 2.022 30 10 IEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOCC1 1690742185 JHNKPLGDTLZRRX-UHFFFAOYSA-N 426.546 2.431 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1690744903 UKJZJZNTZIROIB-KRWDZBQOSA-N 441.667 2.410 30 10 IEEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N)N(C)C1CC1 1690995159 DSAPJWAOSIVGIR-HOTGVXAUSA-N 430.578 2.427 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1691003389 GRHKVZOHFQYYSL-DOTOQJQBSA-N 446.506 2.472 30 10 IEEE CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1cccnc1 1692773591 DPTSGVYCENBRIS-LPHOPBHVSA-N 445.593 2.463 30 10 IEEE Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1693042686 OHSFTTCABFGJIB-UFOSLELVSA-N 428.518 2.315 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)s2)CC1 1695929927 CQBHLHDKANFWRB-UHFFFAOYSA-N 449.584 2.493 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCS(C)(=O)=O)cc1 1697357288 PVYVSOMUWPCPBV-UHFFFAOYSA-N 447.561 2.145 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C)CC1 1698164593 GKMXPKFVHCNFAH-KRWDZBQOSA-N 425.537 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)CCC)cc1 1705477957 URPOFJFLFKIRHM-HZPDHXFCSA-N 446.577 2.133 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCNS(C)(=O)=O 1705486910 OBHABAKPPZGXCD-CYBMUJFWSA-N 440.367 2.105 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1705565063 SAMNWRBVIBWYQT-UZLBHIALSA-N 431.587 2.253 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1C 1705573670 LODLUHRFGMTNOZ-INIZCTEOSA-N 425.514 2.064 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N(C)C1CC1 1705581515 DHKIPILNYXLSGK-IBGZPJMESA-N 432.576 2.008 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCn1c(O)nc2ccccc21 1705586266 BSNMEAGQLXGVAY-UHFFFAOYSA-N 431.525 2.462 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1705602049 HAJXLTVSEZWIIC-QHCPKHFHSA-N 439.585 2.109 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1705603989 CFCZPTUWKYLAFZ-ZDUSSCGKSA-N 425.555 2.257 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@H]1C 1705607049 OKDKUYRKUGUXKT-VGSWGCGISA-N 445.589 2.206 30 10 IEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705653346 FSHQVUBEIUNWGY-OALUTQOASA-N 427.574 2.138 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1705677634 WOMXMDVOPJYLJA-OAQYLSRUSA-N 427.530 2.156 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(COC)cc2)CC1 1705781058 OIOLQQNPEPVVMV-INIZCTEOSA-N 433.578 2.485 30 10 IEEE C=CCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705824856 BVAGZPVOYVSKKH-SJLPKXTDSA-N 444.511 2.364 30 10 IEEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1705825682 ZZOUFFVCRXOJOP-QGZVFWFLSA-N 425.541 2.149 30 10 IEEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(S(C)(=O)=O)CC1 1705827129 VMKNKNFFFNMBAT-UHFFFAOYSA-N 445.545 2.366 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1)C1CC1 1705854279 JOUVQEYUMOBSFT-MRXNPFEDSA-N 441.623 2.052 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2oncc2C1)C(C)C 1705866834 AUYAKPURLPJZLS-RTBURBONSA-N 439.564 2.479 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@@H]1C 1705895510 IZIVMNCGMYFRJY-HOCLYGCPSA-N 445.593 2.084 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705897606 POJZRFNLWQNPAI-YZGWKJHDSA-N 427.549 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccccc1F 1705928797 UXGKZUJKECOOHZ-HNNXBMFYSA-N 437.541 2.354 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1Cc1ccc(C#N)o1 1706882685 VRMOBMDSYMBOCW-XJKSGUPXSA-N 430.490 2.336 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1712126683 HSCPCPUWWVYNKW-MRXNPFEDSA-N 426.521 2.068 30 10 IEEE COCCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1712377310 OTXLJXFUTKCODN-LSDHQDQOSA-N 449.515 2.426 30 10 IEEE COCCCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1712388305 WTTJDUAUNBLPBO-MRXNPFEDSA-N 449.577 2.410 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722358300 FXMPXXRINCDRQP-SFHVURJKSA-N 449.621 2.041 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1722369822 HIVLMMYNGGKIIX-FQEVSTJZSA-N 430.574 2.246 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1722413746 QZHUDHJXHPMHTQ-IBGZPJMESA-N 430.530 2.075 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2COC)CC1 1722450633 ODMZORCHAVLBQR-OAQYLSRUSA-N 437.544 2.290 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722506853 GPTFZZOFIPIAOR-ZCNNSNEGSA-N 431.581 2.458 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1722536543 PACJULGCYHNLME-QGZVFWFLSA-N 429.521 2.125 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1)c1ccccc1 1722539407 PLJPZEJFMFBDBU-QGZVFWFLSA-N 431.562 2.385 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722619092 YPWRBTCGIBBVSY-ZWKOTPCHSA-N 437.610 2.279 30 10 IEEE CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1723254050 BUIUZYJVHQBEGT-DBXWQHBBSA-N 436.626 2.287 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1724349651 SEJDZLNWJPMQRQ-KDDVOAFDSA-N 426.477 2.194 30 10 IEEE CC[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1727834264 ZMMSDPJADMOUPV-UNEBPCJRSA-N 428.537 2.152 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C)CC1 1729218887 GAZMPJGRUGQYRC-UHFFFAOYSA-N 444.561 2.215 30 10 IEEE CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1729740035 ALDMJNFSNSRPKM-UHFFFAOYSA-N 444.561 2.014 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1740546621 ZJSRIRZXLMXRTC-FQEVSTJZSA-N 430.560 2.405 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1740554014 VSYPGIPPRJSTRL-AEFFLSMTSA-N 443.573 2.403 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740620786 RKYOMCFRFTWREV-YRVHBCJASA-N 448.614 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccnc1 1740652986 VJSOIQCKTALZOC-UHFFFAOYSA-N 447.568 2.339 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCSC2)CC1 1740699388 DTPBPYUCDOZPMN-HSZRJFAPSA-N 441.601 2.097 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC(=O)N2)C1 1740977651 IVMHTJIORLNKPF-SJORKVTESA-N 427.505 2.022 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2(=O)=O)C1 1740982506 WMYIVJORBUYMHZ-RBUKOAKNSA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC=C(Br)C1 1740989257 GVJHAYLSBKCVPJ-UHFFFAOYSA-N 440.367 2.373 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740989686 VMKSCPAKYCVLTN-DZGCQCFKSA-N 447.483 2.040 30 10 IEEE CCOC1CC(O)(Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C#N)C2)C1 1746956216 FLJRAIWEPZIWMW-FVRICEFQSA-N 441.532 2.133 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1748730927 RXOVYGOWUZSNQH-GOSISDBHSA-N 437.610 2.010 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCCCC1 1748831026 DPVRSCWBPZKODT-UHFFFAOYSA-N 439.585 2.297 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1748979562 FJBSKZLHHMNDFK-RUZDIDTESA-N 434.588 2.476 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749047271 SSBIIIREGSVDCN-NRFANRHFSA-N 445.520 2.394 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(N)=O)C1 1749445525 QWBHLXJQHKJWHJ-CYBMUJFWSA-N 437.342 2.330 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1749677882 NKVVYUPAFNQRAR-FQEVSTJZSA-N 448.483 2.202 30 10 IEEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1749819138 IVUTXAQXWFJNAG-GOSISDBHSA-N 429.546 2.114 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCSC1 1749965070 AIUBWRBYYZKFLZ-HUUCEWRRSA-N 444.561 2.290 30 10 IEEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1751363568 FGLYLPFCLLAHAW-ZIAGYGMSSA-N 445.574 2.283 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)c2ccccc2)o1 1751495697 GVIXRXFCWMIUNF-MRXNPFEDSA-N 427.486 2.049 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1760111893 WDONPYFXPPTUCT-GOSISDBHSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1760190706 UNNWGPYCMVZEKJ-RBUKOAKNSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)COC 1760202284 YSCJHIBRBHIBDE-UHFFFAOYSA-N 432.528 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)Cc2ccccc2C1 1760208185 MAKUYJDQHDLJDU-UHFFFAOYSA-N 444.583 2.076 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1760318244 DXMZDUWIWQBBNY-NQIIRXRSSA-N 440.548 2.053 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(C)(=O)=O)CC1 1760399783 WOUWVTPJWZBGJM-UHFFFAOYSA-N 433.534 2.016 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1760434229 ZYNAEJPJGILXRX-GOSISDBHSA-N 432.594 2.490 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1760462695 HJNOTFUAFSFRGH-JTSKRJEESA-N 434.585 2.081 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760519765 ONQWHSFCWWCIMM-UHFFFAOYSA-N 434.422 2.013 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1761828343 FUOMUDQCQGHPQW-OAQYLSRUSA-N 447.536 2.432 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1762301325 CPKUHORRESHGBO-WMZHIEFXSA-N 440.548 2.223 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1765479071 ZHIOQHASSBVUHS-HUUCEWRRSA-N 429.525 2.154 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CCCOC(F)F)CC1 1771534368 YSWSGNIABYXEOO-INIZCTEOSA-N 433.463 2.005 30 10 IEEE C=C[C@@H](CC(=O)OC(C)(C)C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1851726843 LOSKYWIQMLDSMO-INIZCTEOSA-N 425.503 2.151 30 10 IEEE CC(C)C[C@@H](C#N)CN1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1852635871 KFQSZBXAZXUTGW-SFHVURJKSA-N 428.558 2.239 30 10 IEEE CCc1c(C(=O)Nc2c(C#N)cnn2CC(F)(F)F)nnn1-c1ccc2c(c1)OCO2 1852708939 ZWHICHYAWDNPBK-UHFFFAOYSA-N 433.350 2.441 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2=O)cc1 1853829104 ROXIISJULFZJCU-UHFFFAOYSA-N 445.928 2.345 30 10 IEEE Cc1ccc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c1 1854656324 YIMOUXOHUVHPLG-KRWDZBQOSA-N 425.510 2.166 30 10 IEEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856544423 LNWPTYLYRMRFFO-QUCCMNQESA-N 437.606 2.140 30 10 IEEE C=CCN(C[C@H](O)c1cccc(OC)c1)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1857999211 MLMSARGNKFWQGY-FQEVSTJZSA-N 444.509 2.259 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2)cc1 1858669017 IQEYDKLHNFOMRK-UHFFFAOYSA-N 435.465 2.394 30 10 IEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 1870151295 RHBCLUZSBBMVNW-OAHLLOKOSA-N 430.424 2.137 30 10 IEEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN(CCO)CCO)c1 1870348480 ZTUDJQCKYXGYEX-UHFFFAOYSA-N 447.535 2.442 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(N(C)C)cc1 1874470574 CAPNJFSBBUIJKF-YDZHTSKRSA-N 442.545 2.417 30 10 IEEE COc1ccc2c(CC(=O)N3CCC(COc4nccnc4C#N)CC3)cc(=O)oc2c1 1892115460 BJDFWTLFZJFZIS-UHFFFAOYSA-N 434.452 2.323 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cc(C#N)ccn1 2195274867 ISFWGSSXPAQKMR-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE N#Cc1cc(F)cc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2195348532 OJYNUXABEMDTPV-SFHVURJKSA-N 434.445 2.382 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCO)Cc2ccccc2)OC1(C)C 2243417500 UFEBROKUJPROJE-UHFFFAOYSA-N 437.392 2.372 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 2255148378 NESOXGYCSLMJCA-LLUXXFGUSA-N 449.548 2.140 30 10 IEEE CN(C[C@@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCO1)C(=O)OC(C)(C)C 2255375655 VHNXRSKLJAGQCI-MRXNPFEDSA-N 433.358 2.453 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](CO)C1 2255378301 XZCLOXHOXAODHH-HZPDHXFCSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619907 UDVIYNRPYPTFLS-DZGCQCFKSA-N 434.346 2.132 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2255626849 LELZUQDDZIFYEC-HNNXBMFYSA-N 434.346 2.084 30 10 IEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(C)(C)NC(=O)OC(C)(C)C 2255651089 UHNNOCWLIPTGQX-ZDUSSCGKSA-N 436.362 2.141 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2255678646 HQSHKBVEEKYCNN-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255803293 MDOPHAOFKIHEQO-GUTXKFCHSA-N 449.382 2.428 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255827950 AEFWSBNFIWXUOA-CQSZACIVSA-N 436.362 2.047 30 10 IEEE CC[C@@]1(NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267128403 QIBPMXLOXVINRW-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267195472 WRMOZGCUDVBOPG-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267197006 IXTKEGKGPSKJMY-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CCC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267222742 CQNBQBJKNOZSLQ-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267268323 SQCSKTILIBDWQO-LSDHHAIUSA-N 446.357 2.199 30 10 IEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267288778 GXPYERGTPYECPR-DYEKYZERSA-N 444.259 2.496 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)n1 2267503766 IYCAHFOXDRVCFF-SCAQPMJSSA-N 443.353 2.284 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267562325 ASNCDBLHDVPVJC-QFIPXVFZSA-N 449.357 2.070 30 10 IEEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267880713 CGRPMCOXWDYXPH-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268652019 ZMBLKKRXYNIXOK-HZPDHXFCSA-N 447.341 2.080 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2268716722 HATPKHQCWRHFMX-UHFFFAOYSA-N 446.353 2.020 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278702705 VEEACUVABKLBCP-GOSISDBHSA-N 448.369 2.186 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322254093 IFZOHVNILBUXJR-CJNGLKHVSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH]nc1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2327387280 VCCGIGSUHNQOGI-UHFFFAOYSA-N 431.302 2.314 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)cc1 2329034826 OIWKSFTYOWCNSD-OAHLLOKOSA-N 431.518 2.158 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2336901978 QJIJMWLAXJDHQA-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)c1 20826719 BFTZTOTZPJYUFA-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE CC(=O)Nc1cccc(N/C(CN2CCOCC2)=N/S(=O)(=O)c2ccc(C)cc2)c1 35179025 AAMPPEDBSDXSJJ-UHFFFAOYSA-N 430.530 2.485 30 10 IEEE N/C(=N/O)[C@H](NC(=O)c1cc(Br)ccc1I)C1CC1 236335308 MNIKVATYTQOWGN-SNVBAGLBSA-N 438.063 2.309 30 10 IEEE C=CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCS(=O)(=O)C1 440294067 GMTWDRGAZWGQJN-OAHLLOKOSA-N 436.515 2.332 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 478737729 GINBHBWUCJEMPU-INIZCTEOSA-N 441.509 2.035 30 10 IEEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 479317076 JVUOHUSZRMBEKC-MRXNPFEDSA-N 442.545 2.384 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)COc2ccccc2Br)c(F)c1 480724001 UONKWDTURDMOAA-CQSZACIVSA-N 443.294 2.319 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 499695788 GYYURRXKVVOHPI-OXQOHEQNSA-N 447.513 2.146 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)nn(-c2ccccc2)c1N 505709841 XHBHACHKWDFBOW-QGZVFWFLSA-N 445.531 2.017 30 10 IEEE CCn1c(CCC(=O)N2CCC(C)(C#N)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 507839445 CXLUDPHAFSRSNR-UHFFFAOYSA-N 431.562 2.391 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 508477199 JUJYDXWOEQDRGP-HXUWFJFHSA-N 425.533 2.393 30 10 IEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508718739 WVSVSRDYUULMRV-SFHVURJKSA-N 441.532 2.127 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 519481971 ADJQFSQXOOHKLU-NRFANRHFSA-N 432.480 2.017 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc3c(c2)OCO3)c1=O 524749214 QQAOBZLJYLMNOP-UHFFFAOYSA-N 434.473 2.401 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccn(-c3ccccc3F)n2)CC1 526083439 BDIINCMIEFAEFH-UHFFFAOYSA-N 425.489 2.390 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)COc3ccc(I)cc3)CC2)n1 544833390 OQROWZKKPABXJC-UHFFFAOYSA-N 448.264 2.285 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 559010017 VBLKDKXWJDVLSA-LPHOPBHVSA-N 431.562 2.296 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)CC2)n1 584522128 UCDWSYDUKFEEMS-UHFFFAOYSA-N 430.468 2.313 30 10 IEEE N#Cc1ccc(-c2csc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)n2)cc1 603440501 PMWKVONWGPAIOP-UHFFFAOYSA-N 431.485 2.370 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cn2)C[C@@H](C)O1 608924957 DEACNUHPXSEMFL-IYBDPMFKSA-N 431.500 2.265 30 10 IEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C#N)c1 610355083 HAQMIQIDDPHBNF-OAHLLOKOSA-N 443.485 2.244 30 10 IEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)C)C[C@@H]2C)CC1 619848592 JMHZAIHSWXNJGP-AVRDEDQJSA-N 435.576 2.462 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCOC1 676727825 YJTKRKPITHXEMZ-OAHLLOKOSA-N 428.941 2.472 30 10 IEEE COCCOc1cc2c(cc1C=NNc1ccc(S(=O)(=O)NC3CC3)cc1)OCO2 726425184 CACZSUANQCZKEL-UHFFFAOYSA-N 433.486 2.327 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2cccc(OC)n2)C1=O 735225269 HXAZVWCCAWRMLC-MRXNPFEDSA-N 428.470 2.087 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)c1 747777987 IMXLFCUXZKENSC-UHFFFAOYSA-N 444.904 2.482 30 10 IEEE CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 755283254 VIDWOSFIOLCBJN-XLIONFOSSA-N 427.549 2.424 30 10 IEEE C#CC[C@@H](NC(=O)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC)C(=O)O 757360174 NAAOKQCJIWKBRY-RTWAWAEBSA-N 436.464 2.133 30 10 IEEE COCCN(CC(=O)O)C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757470223 DQHUSEVBVLTJAB-UHFFFAOYSA-N 436.464 2.088 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(C)c1C(F)F 759866131 OUKIFSXTXKZFNF-GFCCVEGCSA-N 425.461 2.450 30 10 IEEE O=C1N=C(NN=Cc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)NC1=O 765593142 ZPNLUQMNILNJAS-UHFFFAOYSA-N 437.257 2.238 30 10 IEEE C[C@H](CC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 766161808 OWJUJYQUCOYSDI-CABCVRRESA-N 435.546 2.084 30 10 IEEE C#CCN(C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 774016019 DGUQGYGUYLHGRV-KRWDZBQOSA-N 438.981 2.136 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780677090 CBGTWBCKWKZZAK-MRXNPFEDSA-N 443.529 2.240 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 780799638 XVASQAVXCRWTGY-UHFFFAOYSA-N 434.417 2.209 30 10 IEEE C=CC[C@]1(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 790292841 OGPOYQGVOWFHLW-JOCHJYFZSA-N 430.505 2.186 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)OCC)c1 799034154 HLEYDZAHPWYGRA-LJQANCHMSA-N 448.928 2.156 30 10 IEEE COCCn1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nnc1N(C)C[C@@H](C)C#N 802425366 IFQWZYILULPVQO-KRWDZBQOSA-N 446.577 2.362 30 10 IEEE COC(=O)c1ccc(C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)nc1C1CC1 849078235 KPZZNXINIQPXMV-MRXNPFEDSA-N 429.521 2.126 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 918845226 WFWZQPVFLJYWLO-UWJYYQICSA-N 447.491 2.445 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(CCc3ccccc3)nn2)c1 1125418682 JGNNZOSHEJGTKB-UHFFFAOYSA-N 443.507 2.008 30 10 IEEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 1131603798 FORXGSXOFNXNNA-INIZCTEOSA-N 438.575 2.057 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](CC)(C(=O)OC)c2ccccc2)cc1 1142080458 GBYNQHMCMBMHLI-JOCHJYFZSA-N 430.526 2.402 30 10 IEEE C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1162141829 VCZHLUBNBCNHEK-DOTOQJQBSA-N 435.546 2.318 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4c(C#N)cccc4[N+](=O)[O-])C3)[C@@H]2C1 1163978915 GLPXEWCVWHCLON-UAGQMJEPSA-N 443.460 2.485 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1166257284 GPCCVZBDBIQWRH-KRWDZBQOSA-N 431.537 2.241 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN1C1CCCCCC1 1171861050 NBTTZOJJFJSCDC-SFHVURJKSA-N 432.590 2.419 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OCC 1194187859 YKJZZQHFQJNTDV-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE CO[C@]1(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCSC1 1251170843 ITBPSTFLOGJWTR-NRFANRHFSA-N 426.546 2.302 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 1264635116 WMWDYCMCARQGQW-XFEADYBZSA-N 436.534 2.351 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286335188 GQSITBKNDOBVGQ-UHFFFAOYSA-N 425.493 2.065 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286339935 UFVMALYMAHFCKD-INIZCTEOSA-N 446.533 2.032 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1286416487 ONJRKLNKTDPCHF-LJQANCHMSA-N 448.502 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286439934 XUDCKOIMOXVGCU-UHFFFAOYSA-N 445.502 2.222 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2cc(Cl)cn2)CC1 1286484732 WDOVSHKLPRQUIE-UHFFFAOYSA-N 443.914 2.302 30 10 IEEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286754705 SPDLEIXCNHFGIX-DEOSSOPVSA-N 437.544 2.443 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)C1 1286814392 RGWRDMHGRGQPAS-WOJBJXKFSA-N 443.523 2.409 30 10 IEEE CCOc1cc(C(=O)N(CC#N)CCC(=O)OC)ccc1OCC(=O)N1CCCCC1 1287988659 HDEFSDNFLPYKPN-UHFFFAOYSA-N 431.489 2.005 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 1290967286 VNGDYBOALFAVLH-KRWDZBQOSA-N 437.972 2.486 30 10 IEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300386127 LESVSPRUWBYFLK-OCCSQVGLSA-N 433.310 2.384 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(Cl)nc1 1300459935 KYYAUIZRHNFOAG-UHFFFAOYSA-N 429.937 2.404 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1300485828 ZIOXMMMCXYRIQF-LAUBAEHRSA-N 434.562 2.146 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1300505737 HKYBYVLMGSABGZ-GOSISDBHSA-N 442.564 2.136 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc(-n2cncn2)nc1 1300587616 RMVPYQOHRDQROY-UHFFFAOYSA-N 428.525 2.417 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C(C)C 1300606286 KZDPCIDXFVGJTE-NRFANRHFSA-N 433.578 2.062 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1300700271 NQFNXJWFKBXAOY-XLIONFOSSA-N 444.530 2.118 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300964982 ACFGFFSFAWNLGN-XHSDSOJGSA-N 439.582 2.248 30 10 IEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1301444511 JIJGJIOFTSSRTC-UHFFFAOYSA-N 429.521 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301482745 ZIGKPZFLLUAQQH-VREBPVJHSA-N 443.523 2.457 30 10 IEEE C[S@@](=O)C1(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1302508049 GHWVNJSCGBJJBI-HZAQMHFWSA-N 427.574 2.483 30 10 IEEE C[C@H](NC(=O)NC[C@]12COCCN1C(=O)COC2)c1ccc(-c2cccc(C#N)c2)cc1 1312479655 LYEZEBCXIRSVJQ-BXKMTCNYSA-N 434.496 2.213 30 10 IEEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1316467086 ZBHCCDZGPNKKIE-QGZVFWFLSA-N 448.618 2.288 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2CC[C@H](OC)C2)cn1 1320974134 JJKLRKPEZGZDJS-OWCLPIDISA-N 443.533 2.221 30 10 IEEE N#Cc1ccc(OCC(=O)NCc2ccnc(N3CCOCC3)c2)cc1Br 1352331568 CRMRDGNVWXLBAW-UHFFFAOYSA-N 431.290 2.248 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358965435 VGYQKHUNYKBJJZ-LJQANCHMSA-N 439.516 2.078 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCCOC)C1)c1ccccc1 1359137217 JBNZOYWXQLJOFF-HXUWFJFHSA-N 425.533 2.469 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC(C)C 1359233916 VQJVJFKCFXVLEQ-UHFFFAOYSA-N 429.550 2.285 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1359262367 QYYKCELKPBBOSA-AWEZNQCLSA-N 425.580 2.057 30 10 IEEE CC(C)[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1359754201 AFDPUANFTXUYOQ-LURZSEBBSA-N 442.564 2.398 30 10 IEEE COc1cc(F)c(Br)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1436872117 AQVBTUQDCUFSPT-UHFFFAOYSA-N 442.266 2.274 30 10 IEEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1436893309 ASUVDDIRFFJFCR-WHEQGISXSA-N 425.489 2.101 30 10 IEEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1438174587 NAIMIESYIRODGA-QGZVFWFLSA-N 449.916 2.394 30 10 IEEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1454866559 GZMJOHZYPGSQER-BHIYHBOVSA-N 443.500 2.087 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)C1 1455684241 DYHJEFZXYFEGJP-UHFFFAOYSA-N 447.469 2.167 30 10 IEEE CCOc1cc(C(=O)OC)ccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1462824721 PGEMWNNWPJCWBW-UHFFFAOYSA-N 431.470 2.316 30 10 IEEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)c1N 1463853396 GVLMXTUCIOQEGG-UHFFFAOYSA-N 437.909 2.193 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)c1ccc(Br)cc1 1468451313 PPYGAUYGCGAHAZ-RDJZCZTQSA-N 443.301 2.430 30 10 IEEE CCCCS(=O)(=O)NCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1472182431 RGTXJGVORLKWBG-IUCAKERBSA-N 446.360 2.335 30 10 IEEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)CC1=O 1503683707 WBUYKYWTQVTMSB-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1505037027 ILULDBGORVLAKG-LEWJYISDSA-N 441.532 2.460 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1505043290 HUSGBCNRWSDJPK-FDDCHVKYSA-N 441.532 2.254 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1507596110 CJURUHCXCNGFBB-INIZCTEOSA-N 439.582 2.244 30 10 IEEE C#CCN(c1nnc(C)n1Cc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 1507626795 OVFOMSUZGMNHHM-HXUWFJFHSA-N 438.557 2.064 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635568 SZIMNJYAOUMZEC-YLJYHZDGSA-N 433.622 2.120 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccnc2OC)CC1 1507725943 DOMUQHQPNMOWPA-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)OC)CC1 1507736816 SXICUJNBLVJJCL-UHFFFAOYSA-N 425.533 2.345 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1507778365 DDURHMKQKHATSR-KRWDZBQOSA-N 436.354 2.057 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507961752 FCQYARHUMCKZMK-KXBFYZLASA-N 445.486 2.352 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1508041344 MTNNJTBOBIMZAA-IBGZPJMESA-N 435.532 2.317 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508115075 HNCYKYFQRLEXBS-MSOLQXFVSA-N 429.521 2.123 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)CN2CCOCC2)CCOC1 1516178102 BSIBYAAYVGMTJI-CVDCTZTESA-N 446.596 2.029 30 10 IEEE Cc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)ccc1C#N 1531381146 SIINLGYJGHWFKV-ZFWWWQNUSA-N 440.422 2.255 30 10 IEEE C#CCCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139646 HDKFFMBNILKALF-JOCHJYFZSA-N 427.553 2.240 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1ccnc1C 1539170700 BBHSLVZOCQVBRD-UHFFFAOYSA-N 430.516 2.340 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539207191 ZTSAKIZAHMJZSJ-UWWQBHOKSA-N 429.502 2.136 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cn(C2COC2)nn1 1539238575 APRFFMYJXIXQSY-LJQANCHMSA-N 445.527 2.319 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCS(C)(=O)=O 1539296700 SZPCHOYBFYBUHL-KRWDZBQOSA-N 432.521 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ncccc1F 1539299148 FQTFBYJENBTKIC-HSZRJFAPSA-N 441.507 2.395 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCC(C)CC2)CC1 1539428922 YCHAALLDWHITRM-UHFFFAOYSA-N 443.640 2.074 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539459685 MVKWTNGUTCGOCS-UNMCSNQZSA-N 434.544 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2OC)CC1 1539484306 KLBMULCGPRGTDD-UHFFFAOYSA-N 444.539 2.287 30 10 IEEE C#CCSCCn1c(N2CCO[C@H](c3nccs3)C2)nnc1[C@@]1(OCC)CCOC1 1539530704 MGDRQMOSNXBAKG-OXJNMPFZSA-N 449.602 2.331 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC(C)C)CC1 1539626655 FYIAQIGINUKORR-CTNGQTDRSA-N 443.596 2.207 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539630162 ZBRXKVDUZTUATJ-SCTDSRPQSA-N 433.578 2.278 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1539665981 LXBVCZBKJSZAMP-UHFFFAOYSA-N 433.520 2.264 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1541107190 GOVFUWCMBFRUFP-OAHLLOKOSA-N 444.561 2.003 30 10 IEEE CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1541192998 ZUAQYPGBEQULFP-UHFFFAOYSA-N 439.564 2.472 30 10 IEEE CC(C)OC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541743595 VRKCUDNUMMLKIK-BWVDKLOVSA-N 444.536 2.050 30 10 IEEE COC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1554566651 HTOFNAPRNFSRQK-FQEVSTJZSA-N 429.456 2.085 30 10 IEEE C#CCN(CC(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1557529350 TXDHRFIZASPBJP-UHFFFAOYSA-N 427.542 2.199 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 1583069242 WFBCFHKLJARONV-IVZQSRNASA-N 437.537 2.087 30 10 IEEE Cc1cc2c(NC(=O)CNS(=O)(=O)c3cccc(Br)c3)n[nH]c2cc1C#N 1583605549 CWIGFBABJSJHRS-UHFFFAOYSA-N 448.302 2.423 30 10 IEEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N1CCO[C@](C)(C#N)C1 1585431341 DDDDJIMBAOCUBG-IEBWSBKVSA-N 433.306 2.119 30 10 IEEE CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1586523336 USFMBKHSRBVDFZ-ZDUSSCGKSA-N 432.571 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C[C@@H]1C 1588194364 UXKCSXSTSQQMPK-HKUYNNGSSA-N 425.558 2.314 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](OC)C1CC1 1588229075 QNFHUQGBNREXNC-NRFANRHFSA-N 433.560 2.340 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C1CC1 1588309873 GQCIYZPZIOAPEH-MRXNPFEDSA-N 429.594 2.180 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCCC1(C)C 1588627862 AMLAHSQHTONQBF-QFIPXVFZSA-N 429.521 2.033 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(OC)CCCCC1 1588627907 AYPVXZNSPFJEDO-UHFFFAOYSA-N 429.521 2.441 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCN2CC)CC1 1588923596 GDKYPMOVPXBYQS-NRFANRHFSA-N 449.603 2.489 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)OCC)c2ccncc2)ccc1F 1597714264 GLKTVAQEUAERTJ-QGZVFWFLSA-N 435.477 2.109 30 10 IEEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1617391476 AUDZQTXHNGMGJR-MOPGFXCFSA-N 428.562 2.228 30 10 IEEE Cn1c(C(F)(F)F)nc2cncc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c21 1632533395 WBACDWLCTLJVRT-MFKMUULPSA-N 438.410 2.476 30 10 IEEE C#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccccc1 1633350490 FXBYDLCSQQTNGS-OAQYLSRUSA-N 426.542 2.113 30 10 IEEE C[C@@]1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1634260297 YRPMEUHJXOZTST-QPPBQGQZSA-N 434.496 2.343 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)C2=O)cc1 1635701958 YEKKSIAYKKBFFB-LJQANCHMSA-N 448.414 2.322 30 10 IEEE Cc1ccc(-n2c(Sc3[nH]c(=O)n(C)c(=O)c3C#N)nc3ccccc3c2=O)cc1C 1639166941 CAROQYDYXDBXLE-UHFFFAOYSA-N 431.477 2.412 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)s1 1643854457 NCBWUUZHYJCJDD-HNNXBMFYSA-N 430.592 2.485 30 10 IEEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCCCC1 1644640349 IAFZSOMYPVYHFA-UHFFFAOYSA-N 445.585 2.038 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1650972013 FKYAUUCWKJFKKR-GFCCVEGCSA-N 437.345 2.071 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CCOCC1 1657840953 OGYYLMUZHKYVRJ-GQIGUUNPSA-N 435.546 2.034 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1670974596 ARBORIHMBMPKRT-UHFFFAOYSA-N 430.338 2.279 30 10 IEEE C#CCN(C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1675060709 MVDXGNIDTUXLTG-RHSMWYFYSA-N 432.373 2.428 30 10 IEEE N#Cc1ccc(F)c(CNC(=O)N2CCn3ncc(I)c3C2)c1 1676077391 DKBSPFSXANEYEQ-UHFFFAOYSA-N 425.205 2.224 30 10 IEEE N#CCC1(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)CC1 1680715239 HYYNIMJSPZXODB-CQSZACIVSA-N 438.269 2.168 30 10 IEEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Br)cc1 1683681215 MNWQBSYMBUVXPN-IBGZPJMESA-N 447.377 2.463 30 10 IEEE C=C(C)CN1CCC(NC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 1684022607 OUXKLZPCTQHZHI-LDADJPATSA-N 429.546 2.458 30 10 IEEE C#CCN(C(=O)N[C@H]1CCC(=O)N(C)C1=O)[C@H]1CCOc2ccc(Br)cc21 1686854192 UWIBRJCXNVIWRG-GJZGRUSLSA-N 434.290 2.065 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1689980534 UCMJERONVZJRFV-MOPGFXCFSA-N 449.621 2.211 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690082512 DSPSMSSZWIPRTC-QGZVFWFLSA-N 432.569 2.363 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(NC(=O)OC)c2)CC1 1690129289 UHNKHWDZUHZONW-UHFFFAOYSA-N 445.527 2.246 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690264649 ZQFBDLNRTOSXTQ-NHCUHLMSSA-N 438.576 2.247 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1690307232 SUDKWQXEKOVABV-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690322185 XLKWQNNOIYCYNG-ZVDOUQERSA-N 447.580 2.186 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCOC2=O)cc1 1690992876 AUCIGKFJWDKLPD-HNNXBMFYSA-N 425.493 2.017 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1690992912 BMESLUCFMWMJKZ-QWHCGFSZSA-N 449.562 2.249 30 10 IEEE CC(C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1691368230 PYQPJQZIYWPSBO-QGZVFWFLSA-N 428.512 2.280 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1692579439 AYQWZMAAFVLPFA-UGKGYDQZSA-N 433.553 2.254 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1694135338 NHTROOGNRBMUFG-GOSISDBHSA-N 434.552 2.062 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705570748 QOLMTXWJRWJLQV-CVEARBPZSA-N 442.676 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)[C@H](C)CC 1705582260 XBXIKOFYNTWLGC-NTKDMRAZSA-N 435.576 2.322 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1705595828 HZWDREQIJJSROR-SFHVURJKSA-N 429.528 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1F 1705598619 MPIMVCSQVWYBDP-QZTJIDSGSA-N 444.532 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@H]2CCO[C@H](C)C2)CC1 1705649470 YUCZJOGIMRXXHN-MOPGFXCFSA-N 438.576 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)Oc2cccc(F)c2)CC1 1705652950 STFDERGDTITKPH-KRWDZBQOSA-N 443.523 2.387 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705799931 KMWDGSVMTDUEBY-QGZVFWFLSA-N 442.568 2.170 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1706709320 ZJIASYXOMHYOCP-ROUUACIJSA-N 427.461 2.268 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1722307910 YQFGAVKFZWLBNK-FPOVZHCZSA-N 437.544 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)N(C)C 1722379750 MHEVETNCUUUSMJ-MRXNPFEDSA-N 445.614 2.096 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@H](CO)O1 1722424392 LGMVWVBMPXJZFZ-JKSUJKDBSA-N 449.349 2.334 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(=O)(=O)CC=C)CC1 1722430566 FIOCXISOSIVTHX-OAQYLSRUSA-N 441.601 2.176 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1722442095 SNWGWFGINFSLTE-PMACEKPBSA-N 439.560 2.436 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1722469056 SMAXHWFEDWPRBP-DNQXCXABSA-N 437.544 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1722497378 VFLMCUULXGOGIJ-MOPGFXCFSA-N 427.530 2.033 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1722517157 IIQHPKAOWWACQF-IBGZPJMESA-N 445.589 2.241 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722629421 KOEPHPQNZLLWPO-IBGZPJMESA-N 427.553 2.108 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1722704494 ISTVJMMZDUWPTJ-JOCHJYFZSA-N 446.573 2.443 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1722849437 USARCUFVLRHPPY-QFIPXVFZSA-N 448.527 2.308 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1724188504 FSVIBKWOQZQQOS-CTNGQTDRSA-N 441.532 2.398 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)s1 1726246141 JYBDLMMHSKEWLG-OAQYLSRUSA-N 436.545 2.311 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1OC 1730044668 AHRDESKMPRVOML-GJZGRUSLSA-N 433.534 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1740558828 VNUGPRUUUPMJAS-IFMALSPDSA-N 434.588 2.423 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1740620513 PUPXHNBAEOAUED-GOSISDBHSA-N 444.948 2.007 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(=O)NCC)CCC1 1740644086 SHAIXGWZDVMIIC-UHFFFAOYSA-N 430.512 2.108 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1740994128 MVZTVYKMMJRZPD-ABSDTBQOSA-N 426.583 2.013 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COc2ccccc2O1 1741123505 DTDKBGYZGXFPSN-HOTGVXAUSA-N 433.472 2.361 30 10 IEEE CC(C)(C)OCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1741239273 ZTEXXKIMJMZEFO-HXUWFJFHSA-N 449.556 2.495 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1747668327 OFEOHCOBOGUIQP-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE CN(OC1CCCC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1748003536 YMFGQSUMMBIXLQ-MRCUWXFGSA-N 437.504 2.101 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1748282072 AHPMJTYCHWUQLD-GOSISDBHSA-N 436.564 2.010 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1748686643 TWACTFMECIELMR-QGZVFWFLSA-N 444.967 2.133 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cc(C)nn2C)c1 1748693127 YNATXCMFVVLPKX-IBGZPJMESA-N 447.543 2.319 30 10 IEEE C#CCCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1748731081 SZLRZYNKINIGFQ-AVRDEDQJSA-N 444.536 2.392 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2csc(CC)n2)CC1 1749018603 APFSSASJKJCFGY-GOSISDBHSA-N 442.589 2.357 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749283884 DEIBCEIJVHTKRW-ZWKOTPCHSA-N 436.988 2.405 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749292614 ROHZRMNHCXYKTG-HSZRJFAPSA-N 438.532 2.118 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749667462 ZBCYQFOZFFXPSA-SFHVURJKSA-N 446.577 2.009 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1749739790 JRQFNHBPFZJNAU-LAUBAEHRSA-N 440.610 2.403 30 10 IEEE C[C@@H]1SCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1752464619 PQIMSWDRCLUCCA-WSQOEDGESA-N 446.577 2.029 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(CC)noc1C 1760170760 PHNVAHHNMHLMRC-UHFFFAOYSA-N 427.534 2.215 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760198366 GXXXXKJXPAPGCI-XUTLUUPISA-N 434.887 2.198 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1CC 1760212210 VAEVCKMKDXGGHR-UHFFFAOYSA-N 441.337 2.169 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1C 1760232177 VSHICGRIXAKRSD-SJORKVTESA-N 430.578 2.370 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760237508 LRDRNBGSERWSGQ-HDICACEKSA-N 444.605 2.228 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCSC)CC1 1760254586 BUHDECOMHXTOBC-UHFFFAOYSA-N 445.589 2.479 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@@H]2CO)CC1 1760258032 OFEMCMUIUPMPDY-HXUWFJFHSA-N 440.567 2.076 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1760279937 BQTAQSZFEITYRW-IBGZPJMESA-N 435.638 2.333 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](CC(N)=O)C1 1760313945 RDGPLZKFLPDMFC-QKLQHJQFSA-N 446.596 2.270 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760384563 CKIMXPCVVIMRCF-LSDHQDQOSA-N 429.484 2.500 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760426219 JGIACOWZURWNLF-OAQYLSRUSA-N 446.559 2.440 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCc2ccccc2)CC1 1760524431 XUSIMYDVYBRFKR-OAQYLSRUSA-N 438.576 2.187 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2cc3ccccc3[nH]2)nnc1[C@@]1(OCC)CCOC1 1760528125 SOGGLTKHVOHOTR-HSZRJFAPSA-N 438.532 2.350 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCn2cc([C@@H]3CCOC3)cn2)n1 1762415289 XIVIVGRPUBTMLV-QFBILLFUSA-N 437.552 2.136 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1CCOC1 1767445963 BQAATOFQEJIBBF-HIFRSBDPSA-N 435.326 2.201 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2OC(F)F)CCOC1 1767481327 BNZBEQFQRZEVAM-KKSFZXQISA-N 449.458 2.309 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)C1=O 1769053921 HSFUGVYMCFRZPR-PKTZIBPZSA-N 433.516 2.337 30 10 IEEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCCC1 1769762037 FIQIDPAPKUKCMH-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(Cl)cc1 1771223432 WMOSQRLMBBGZON-YJBOKZPZSA-N 435.912 2.463 30 10 IEEE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751029 GFVOJLKDFBMJRT-UHFFFAOYSA-N 448.520 2.134 30 10 IEEE O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)ON1C(=O)c2ccccc2C1=O 1772793463 ZEMYQBCFSGSTSG-UHFFFAOYSA-N 442.371 2.128 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(N)=O)CCCC1 1772843364 CQPJKDFFJJTNDC-UHFFFAOYSA-N 436.564 2.116 30 10 IEEE CCc1ccc(CN2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851525449 KIWWHOVEJLTMRZ-OAHLLOKOSA-N 445.463 2.468 30 10 IEEE COc1cc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)ncc1Br 1853171853 BTEJDYWFFDSSJF-UHFFFAOYSA-N 446.305 2.098 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCCN(C3CCS(=O)(=O)CC3)CC2)n1 1853290170 YHSXATUGNVUJII-UHFFFAOYSA-N 444.479 2.006 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)COc2cc(C)c(Cl)c(C)c2)C1=O 1854330569 MZMZCIXWVUBTLR-ROUUACIJSA-N 433.936 2.182 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CN2CCCCC2)CC1 1855607566 OSUARWLQGULITN-UHFFFAOYSA-N 431.558 2.319 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C2(CCCC2)C1=O 1856218719 LHGICKSJIJFHBT-UHFFFAOYSA-N 429.420 2.291 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCCN2C(=O)N1CCOCC1 1858478997 NGRVNNRUNWWQOX-UHFFFAOYSA-N 428.470 2.010 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862563363 BMUOPNSPYSWJOI-SFHVURJKSA-N 426.429 2.023 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1 1862605731 AYGSUSJPZAJMEN-HXUWFJFHSA-N 440.427 2.311 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2c(c1)OCCO2 1862756385 NOAVJPONQJUAHV-CWTRNNRKSA-N 440.408 2.325 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 1889627174 OBVCWVZIEHMHGZ-UHFFFAOYSA-N 433.618 2.114 30 10 IEEE CC#CCN(CC(=O)Nc1cnc(I)cn1)C(=O)OC(C)(C)C 1900655812 VYJUOBHKVHBUSC-UHFFFAOYSA-N 430.246 2.280 30 10 IEEE Cc1nc(I)c(I)n1CC1CC(N)(C#N)C1 1979920505 TZIRNQIYIUXUCK-UHFFFAOYSA-N 442.042 2.032 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2009956032 FJMKWXCVUCBKPH-UONOGXRCSA-N 442.513 2.058 30 10 IEEE CN(C(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523064 AXAZGRPMIYXWQJ-QZTJIDSGSA-N 446.353 2.488 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C1 2141674582 NBLQYPVFALXKMB-CVEARBPZSA-N 447.341 2.344 30 10 IEEE C[C@H](c1cc(C#CCO)cs1)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186571643 WJYNOEJRKGKAGS-OAHLLOKOSA-N 446.550 2.101 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2216856229 DZOSSQIPTQIPRH-JSRQGNBESA-N 439.553 2.046 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224103839 XURPRECJGGLFDG-WBVHZDCISA-N 433.358 2.411 30 10 IEEE C=C(CS(=O)(=O)NCC1(CNC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2243435110 KUCMXXUNWDGXDO-UHFFFAOYSA-N 430.376 2.398 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)C1 2247558738 NMOHZQLZUWBDSX-UHFFFAOYSA-N 435.481 2.340 30 10 IEEE CCc1nc(C(=O)NCC(=O)NCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2247833620 JGCINIGEZNTZHW-UHFFFAOYSA-N 429.351 2.051 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2247863234 ODYSQWGOCRSMRX-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247909607 CPJMPSXKOBZQPH-SSEXGKCCSA-N 442.343 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2250289816 PXBZNKAJVJIORS-TZMCWYRMSA-N 437.371 2.475 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCO1 2254801307 RCKPSITZIMDQFW-RDJZCZTQSA-N 433.358 2.499 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)C1 2255152598 CLKKUUPAROCKII-UHFFFAOYSA-N 440.588 2.403 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255530914 WRJRHERXSYGXPX-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630623 MUPNSMMVPHPLIO-KBPBESRZSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631775 DOROKYIZIZJNEA-UKRRQHHQSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255636929 BJAGSNXTWDNGPI-KBPBESRZSA-N 449.382 2.285 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C 2255833717 HMLYROTUEJZWGG-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]12 2256620396 HYSLBAUUVKGOLF-OSRJUQGESA-N 449.382 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2256638647 BYZCEERRDZKFIE-UAGQMJEPSA-N 436.358 2.441 30 10 IEEE Cc1nc(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256641405 ZVKOMAKJSKEKBV-AWEZNQCLSA-N 432.330 2.280 30 10 IEEE Cc1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2256881837 BOUPWHLDDQMJRO-HNNXBMFYSA-N 446.334 2.151 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 2257491973 RBIYHOQUFDUPCE-UHFFFAOYSA-N 431.342 2.476 30 10 IEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2259149178 VQLQQNILZJLNHT-UHFFFAOYSA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267090697 MXALSFAYGQQRCV-CQSZACIVSA-N 446.357 2.371 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267153665 SFHZKDJKWRLCCK-ZBFHGGJFSA-N 448.373 2.235 30 10 IEEE CON(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267280331 OSYLTZMZZOXGPJ-KRWDZBQOSA-N 447.341 2.394 30 10 IEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)c1cnn(Cc2ccccc2)c1 2267504841 YPJYYXAZUJXARS-MRXNPFEDSA-N 435.337 2.455 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267515446 OOLUINGJJFUXMA-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267519015 HGZGQMHTKQJOTB-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 2267525431 DETHOBMIMMJIAX-IBGZPJMESA-N 438.381 2.280 30 10 IEEE CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)CC1 2267578391 IVVOHLZNRWGEJV-SFHVURJKSA-N 447.385 2.211 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267601223 RXHHYYUYMFONLF-ROUUACIJSA-N 446.353 2.004 30 10 IEEE C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268714391 JNBMGOUHPMAAFF-MAUKXSAKSA-N 448.369 2.439 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2282676900 QLHMQPRMCIQWRX-SFTDATJTSA-N 449.360 2.106 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCC2(CC1)OCCO2 2282868667 QTXJJPIKFOEIKY-UHFFFAOYSA-N 443.396 2.320 30 10 IEEE COc1cc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 2296923935 HYCZGOVZKMNNBH-GOSISDBHSA-N 430.457 2.289 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N[C@H](CCO)COCc3ccccc3)c2)OC1(C)C 2320428882 XGOLTPPCEFSKAQ-HXUWFJFHSA-N 426.322 2.078 30 10 IEEE CCOC[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2326114173 FUNOAXXQHLIMDG-XXBNENTESA-N 446.548 2.081 30 10 IEEE COc1ccc(OC)c(C=Nn2c(Cc3ccccc3F)nnc2SCC(N)=O)c1 2329727697 ZHOJXIDYWIIXTD-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2337393924 GGVPYBCYQZHILS-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE Cn1nccc1C#C[C@@H](NN)c1cc(I)ccc1Br 2341996978 GIYPOVXYXGHIQU-CYBMUJFWSA-N 431.075 2.343 30 10 IEEE COC(=O)CCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCCN1CCOCC1 33630877 NTNZIGFPDMITOT-UHFFFAOYSA-N 438.528 2.262 30 10 IEEE COC(=O)c1ccc(C(=O)/N=C(/NCCN2CCOCC2)Nc2ccc(F)cc2)cc1 46134893 CLGHPSJEAZWBAS-UHFFFAOYSA-N 428.464 2.142 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1Br 432945593 SVOUNBBVXHJMCC-UHFFFAOYSA-N 432.303 2.098 30 10 IEEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 433887743 JRPVDAQYIIXKMB-QWHCGFSZSA-N 431.308 2.052 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](c2ccccc2)c2nc[nH]n2)CC1 439459795 WIFWOZKUDWNTJY-RBBKRZOGSA-N 433.491 2.032 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(Cc3nccn3C(F)F)CC2)cn1 462082656 IGIOVODDWJHPQO-UHFFFAOYSA-N 427.419 2.080 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 464547643 KHFRCHZARMAORC-LNSITVRQSA-N 436.306 2.224 30 10 IEEE COc1ccccc1N1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 465276007 LAPJOQZZYHRKKX-MJGOQNOKSA-N 447.495 2.167 30 10 IEEE COc1cc(OC)cc([C@H](NS(=O)(=O)c2cnc(C)c(C#N)c2)c2nccn2C)c1 489080541 VBIFDGUJSWCHSK-IBGZPJMESA-N 427.486 2.080 30 10 IEEE COCCOCC(=O)NC1CCC(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 505128214 BNNQSSIRGFGNLJ-UHFFFAOYSA-N 443.544 2.266 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 508893260 GBMTXVJMLJKXJR-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](CO)c1cccnc1 516336153 AREZQWJYQBQJHY-HNNXBMFYSA-N 434.290 2.386 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C[C@@H](C)C#N)C2CC2)CC1 532821369 MPIMWPLTVDUBLU-HNNXBMFYSA-N 433.530 2.025 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCOC2)cc1 550092573 BGJCLYJPNLIXRY-QZTJIDSGSA-N 446.577 2.040 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCCO1 555448115 HUUYRAZXGAGLLR-IBGZPJMESA-N 432.532 2.446 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCc3ccc4ccccc4n3)CC2)cc1 575147277 RFQGGWIDKMDOQH-UHFFFAOYSA-N 427.508 2.110 30 10 IEEE C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 583926244 FUHABXVGTISBFY-HNNXBMFYSA-N 442.342 2.446 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3csc(-c4ccccc4)n3)CC2)nc1 585724947 XVDGXHOBDMRSNG-UHFFFAOYSA-N 446.536 2.478 30 10 IEEE C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 603505358 UVKHCICNHAOTMA-UHFFFAOYSA-N 431.470 2.306 30 10 IEEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3Cc3cccs3)CCN2C1=O 619854046 FNWPNILMHFHDAO-GOSISDBHSA-N 447.524 2.399 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 734290987 CVTWISBZEKLXJO-UHFFFAOYSA-N 441.490 2.034 30 10 IEEE CCn1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)c1 753065314 FPQNQBSZZKGLEX-FXBPSFAMSA-N 439.563 2.297 30 10 IEEE COC(=O)c1cccc(COC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1C#N 756170817 YKTIKKKIMJUMPC-UHFFFAOYSA-N 430.482 2.326 30 10 IEEE C[C@@H](NCc1ccc(C#N)cc1F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 765813320 PNKPJMMSDINIEL-CYBMUJFWSA-N 425.507 2.274 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)c2ccncc2OC)C1=O 783507548 ILJQLBDYTFDHJJ-PXAZEXFGSA-N 441.513 2.018 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(C(=O)NC3CC3)c2)c1 784073552 KYZVTLMKPFGQHV-UHFFFAOYSA-N 431.492 2.066 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)cc1C 786682770 IKPVYMFMHAACLX-SFHVURJKSA-N 449.598 2.338 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCSC2)C1=O 794441126 OWDJNBIRHQSZMY-DOTOQJQBSA-N 431.587 2.063 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OC)c3cccc(O)c3)ccc2c1=O 797747925 DONMITSFHIQFGS-KRWDZBQOSA-N 425.466 2.221 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 800355109 FTCMJBFXIVHYPO-UHFFFAOYSA-N 449.330 2.189 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(C#N)ccn3)cc2F)C[C@@H](C)O1 803848861 KTDMISCDHBKUPW-HUUCEWRRSA-N 426.448 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161614 TWIDIFPSLPYXQP-JOCHJYFZSA-N 432.496 2.467 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 804460550 YVJBOQUEOHVBEK-PMACEKPBSA-N 428.558 2.178 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(CC(F)(F)C(F)F)CC1)C(F)(F)F 810404176 IHQYDBMWHMAYPI-VIFPVBQESA-N 425.345 2.487 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccc(F)cc1 812934182 GWBVFQMQIIXVIH-NRFANRHFSA-N 443.500 2.419 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)N[C@H](C)c2ccccc2)n[nH]1 1084288061 NYVRDWPQWOSQPV-CYBMUJFWSA-N 442.549 2.026 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1OC 1084446451 CNEQJLULARVZJL-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1132560129 MAONISKCLDIRPV-GOSISDBHSA-N 429.521 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 1137354177 WAZSQEZXUBVQSD-CXAGYDPISA-N 427.448 2.408 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCOCC1 1148193553 DDHFHUBWWVRPLF-CQSZACIVSA-N 438.855 2.182 30 10 IEEE COc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)cc1C#N 1153351298 GPFLIPGQAJNJSC-MDNXKNQGSA-N 435.402 2.169 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3C(=O)c4ccccc4C3=O)n[nH]2)c1C 1157097072 FWHFNZNWOIZAEN-UHFFFAOYSA-N 432.484 2.492 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OCC 1171440197 QXNSXKGYKNKBCX-DGCLKSJQSA-N 426.926 2.252 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1175917759 QCDOIDLZPRALDH-OLZOCXBDSA-N 429.468 2.455 30 10 IEEE Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 1187325017 GOAPNVPYTVCELC-ZDUSSCGKSA-N 443.294 2.487 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)C1 1210696759 YHUZUWDQZXKBTN-DLBZAZTESA-N 428.537 2.420 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OCC 1213546015 CKMNSOXXWFNGEG-LBPRGKRZSA-N 434.308 2.412 30 10 IEEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1266809983 ZYVCBLXOKKZRJY-CQSZACIVSA-N 428.411 2.076 30 10 IEEE C#CCCCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1286336652 ZFVCUOMKNYNKES-QHCPKHFHSA-N 429.565 2.229 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1286467204 NRXPJULUMORVHI-JOCHJYFZSA-N 435.638 2.161 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ncccc2F)CC1 1286785705 QJVGMXGGPGETAG-UHFFFAOYSA-N 425.468 2.157 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](F)[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1286794039 UJYZGEGSIMIHLV-PWHSHALESA-N 443.523 2.174 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1286805197 QTEXSBDHFUBLED-WMZOPIPTSA-N 436.507 2.411 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286828277 KSSUGKQCYULITE-UHFFFAOYSA-N 428.566 2.216 30 10 IEEE CC(C)(C)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1286997230 JQQQDOTUTUKZBU-MLSMBGFSSA-N 442.564 2.497 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(Cl)cc1 1288825595 IAGQCJWSXJTZLM-UGSOOPFHSA-N 440.932 2.226 30 10 IEEE COC(=O)C[C@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1293933194 PSQVDUGBRBSZQU-WZHMAMEKSA-N 437.562 2.280 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCc2ccn(C)n2)CCOC1 1296537014 ANQICBPKLAACIZ-QHCPKHFHSA-N 435.532 2.414 30 10 IEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300399013 FOMSVHSVIYQNHY-QGZVFWFLSA-N 430.530 2.143 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300498301 IVYBVFLCNWMKQZ-DLBZAZTESA-N 434.537 2.464 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1300876432 STJLQJZCNPPXGL-MOPGFXCFSA-N 446.596 2.092 30 10 IEEE COC[C@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1301039047 HGFVAAJKNQNZGO-WBMJQRKESA-N 429.269 2.473 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCOCC2)CC1 1301109083 FWJOYAQAYCTZEN-HSZRJFAPSA-N 433.597 2.445 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1301270754 KPPFODCKGMTSRR-QHCPKHFHSA-N 425.533 2.275 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301528550 BELDWPSHCNDDNF-HXUWFJFHSA-N 425.533 2.500 30 10 IEEE CC(C)(C)OCc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)no1 1302305441 BBEOGMGIXSKRFC-UHFFFAOYSA-N 449.515 2.494 30 10 IEEE CC(C)Cc1nnc(N2CCC=C(Br)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302919892 ZGUFVIQVBPRZAJ-ISLYRVAYSA-N 449.353 2.492 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1313954625 SMHQHJFKWMWGJD-NRFANRHFSA-N 429.613 2.330 30 10 IEEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1316265864 DLYVNUQXUXLXGP-FQEVSTJZSA-N 440.548 2.033 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358887650 AGOKLZVXDBPXDZ-DLBZAZTESA-N 428.537 2.232 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1358929087 RTVZLVXWIJRFPT-FQEVSTJZSA-N 428.581 2.068 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)ccc1OC(F)F 1359023746 UUMOJECVAVNEKO-INIZCTEOSA-N 433.459 2.273 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1359140419 AJLFUEFBRSPXAK-ZCNNSNEGSA-N 425.533 2.430 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359201314 JKUUBMCIRGXXRJ-QGZVFWFLSA-N 432.536 2.412 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359219304 MRERJKACOBIHEL-UHFFFAOYSA-N 428.497 2.313 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1359292328 NBRQCCQPHMAOSD-CABCVRRESA-N 446.939 2.041 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1359299314 BNPAZQLDSWSZNB-QFBILLFUSA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](OC)C1 1359329745 SLHCXRNNQCYUQF-QGZVFWFLSA-N 427.530 2.319 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1359336055 CXCNISIOBLGWNY-UHFFFAOYSA-N 428.562 2.169 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O 1446731249 GGZTYRJNBMZFPS-PKOBYXMFSA-N 447.557 2.476 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1449900678 PUOONBYFKVLYGM-MOPGFXCFSA-N 444.509 2.357 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1cc(C#N)ccc1Br 1460449943 JIRDXGJWJJBAOC-IBGZPJMESA-N 440.338 2.409 30 10 IEEE C=CC(C)(C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478935667 XQGFEGCJECZIDJ-UHFFFAOYSA-N 438.594 2.049 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1503272799 CMRDGPSWSCMIBB-GOSISDBHSA-N 446.577 2.007 30 10 IEEE CN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1503433012 RTOYDCTVFAHLNP-DVSFIDLUSA-N 430.578 2.479 30 10 IEEE COCCCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1504835866 NKSYQDZEZXYOHJ-PZJWPPBQSA-N 441.532 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOCC1CCOCC1 1507533168 KTYMTTWUKCYJNJ-INIZCTEOSA-N 429.521 2.297 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1507635783 VJOIPUVGKIJLIE-SFHVURJKSA-N 441.582 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507664442 RMKVJBHTGRUXSL-FQEVSTJZSA-N 439.585 2.252 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1507709947 GMRNDPZKXWZFRP-UHFFFAOYSA-N 427.530 2.090 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NC(C)C)CC1 1507721221 IBGATEXYSRVKNJ-QGZVFWFLSA-N 444.967 2.351 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)Nc2ccccc2)CC1 1507736954 WMNMXTOXPVXVQC-UHFFFAOYSA-N 445.527 2.268 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507778460 QKWWIWYCVYBBFQ-AWEZNQCLSA-N 449.265 2.403 30 10 IEEE C=C(Br)Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507791189 IZUWDVLVYXDRIN-DAYGRLMNSA-N 445.358 2.077 30 10 IEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507838229 NENPSEOONFRKIN-WOJBJXKFSA-N 428.533 2.460 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507858596 GROVWTFATDOTQF-OAHLLOKOSA-N 437.953 2.064 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1507937391 USMDXJRJYISNQJ-MRXNPFEDSA-N 429.521 2.453 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C)C1CC1 1507990096 CZDZDQGRDBFKOP-UHFFFAOYSA-N 426.912 2.193 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)[C@H]1C 1508072971 LKARBPDGTVILLZ-OAHLLOKOSA-N 442.589 2.245 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1517005164 CSUCZKZRNUVLMF-UHFFFAOYSA-N 425.581 2.173 30 10 IEEE COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1518272742 HFVTYJUGGZOFSO-SJLPKXTDSA-N 443.504 2.323 30 10 IEEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1519527411 YDUPWIGVXRCNEN-GOSISDBHSA-N 429.546 2.257 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C 1520732949 UUHSKVHJVNCCOE-VTJXTGGHSA-N 431.541 2.272 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C(=O)OC(C)(C)C)C[C@H]4CC[C@H]3C4)CC2)c1C#N 1529120441 UVRNYFSPXHIPDW-HKARXFIJSA-N 427.549 2.397 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1539216960 YHPPZJLOCBBGHR-ADKAHSJRSA-N 431.562 2.105 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1539272306 YRKIEEBEYMSICT-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1539327623 BYEIJQDLOCKQDM-QGZVFWFLSA-N 446.523 2.435 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1539613138 VWEUMZCTOMCCHK-KKUMJFAQSA-N 431.459 2.165 30 10 IEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1540080824 ODYOAVJPIZPCEE-HXUWFJFHSA-N 434.635 2.464 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)C1 1540895190 MSOGIBQLMVAEMC-GOSISDBHSA-N 442.589 2.313 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540905097 SJIVYJYTDPUTQR-HTZLVSCSSA-N 448.564 2.206 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1541112290 GOEMHGSGKCERNB-NXHRZFHOSA-N 428.512 2.251 30 10 IEEE Cc1nc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)ccc2n1[C@H](C)CO 1556604295 AUOJWYBUIOZDNJ-KGLIPLIRSA-N 441.513 2.075 30 10 IEEE CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC12CCCCC2 1559848925 GPHQVLXCBHEIRG-QFIPXVFZSA-N 427.568 2.485 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1561551037 SIQUKYAPFBIFQY-QFIPXVFZSA-N 442.537 2.489 30 10 IEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 1561578563 VBHURLZOLREWMI-UHFFFAOYSA-N 426.416 2.469 30 10 IEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2CC1 1561974612 OWRASIOBGLRHIR-HSZRJFAPSA-N 439.537 2.268 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1565337461 BNAOQPFCHFWSLO-UHFFFAOYSA-N 443.548 2.320 30 10 IEEE Cc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1cccc(C(F)(F)F)c1 1565629560 CFKNDGYEBONCHO-ZPHPHTNESA-N 433.390 2.456 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c1 1587249361 YYPTWASFTMOKSB-UHFFFAOYSA-N 443.456 2.278 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@@H](C)CC 1589185644 FOYZIPTUJCLJTR-GAJHUEQPSA-N 447.547 2.218 30 10 IEEE COc1ccc(COCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 1595540312 CMFNDHMXWVFPLW-UHFFFAOYSA-N 438.463 2.134 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)C1 1595745991 ZVAFGDRWADWBFF-GFCCVEGCSA-N 434.285 2.170 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1595878535 PPBSXSIMBCHFHD-UONOGXRCSA-N 432.516 2.221 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)cc(OC)c1OC 1598244734 AIFAMPXQILZQFJ-IRXDYDNUSA-N 432.498 2.222 30 10 IEEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@@]3(C)C(=[N+]([O-])O)CS(=O)(=O)[C@@H]23)cc1 1615951856 YYVMHFKXEKSAPI-LMNJBCLMSA-N 435.498 2.348 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1615956199 DPDJSLXPQVHHLA-PKOBYXMFSA-N 437.548 2.483 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1619399502 DVGYZTMTEIVZMN-INIZCTEOSA-N 445.545 2.040 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Cl)n2CCCn2cc(CO)nn2)C1 1620346576 DEIFSCOVTLDDQW-IBGZPJMESA-N 430.875 2.215 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)CC1 1623499060 OIDPPKYFQVEQGC-UHFFFAOYSA-N 427.451 2.051 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1623649332 RNQAGZJGZGVVME-IRXDYDNUSA-N 444.557 2.135 30 10 IEEE C[C@@]1(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCS(=O)(=O)N1 1627107896 HUCKQLRNGYTOLY-XKSSXDPKSA-N 444.344 2.088 30 10 IEEE Cc1c(C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cnn1CCC#N 1634657009 LBTXFBWHMWZQEK-UHFFFAOYSA-N 436.560 2.206 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)C2=O)cc1 1635977507 QZEBJTPOHJHXPT-HSZRJFAPSA-N 444.451 2.173 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)C1 1638203365 NTQKJSWZSRBQMZ-ZOFXXKQRSA-N 434.537 2.365 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)C1 1638266185 IUJUSWHRTAMKGN-WMZOPIPTSA-N 435.391 2.453 30 10 IEEE N#Cc1cn(CCC(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)c(=O)nc1O 1639484637 GJNKYLUGLFWEKQ-UHFFFAOYSA-N 436.443 2.288 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1639638004 LUORPEZAEOWNKG-NRFANRHFSA-N 441.509 2.029 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)F 1641221493 JAYYUKDLCCWCMC-CQSZACIVSA-N 449.451 2.401 30 10 IEEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1645292110 JBQGBELAODXLCN-WJTZQJHRSA-N 435.565 2.456 30 10 IEEE Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)NCc3cccc(C#N)c3)C2)cn1 1648073690 ZUEHBUKDYUFQKL-VQTJNVASSA-N 437.544 2.355 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)Cc2ccc(C(=O)NC)cc2)ccc1OC 1662119574 GLCGYWWIQGDQCT-SFHVURJKSA-N 431.514 2.355 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NCc1nc(COc2ccccc2)n[nH]1 1663467629 DCJWPRJWBVLRFR-UHFFFAOYSA-N 448.302 2.496 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)C1 1681226599 IODKJGQLNUUJMD-KSZLIROESA-N 436.553 2.002 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 1685266915 LFZOKTGSQVUAIU-JKSUJKDBSA-N 426.330 2.136 30 10 IEEE C=CCOCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1687074151 CSOZNCCAOFKASJ-HNNXBMFYSA-N 443.285 2.066 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(CC)CC 1689965952 HPVRWHZHDQTLHL-VQTJNVASSA-N 429.590 2.333 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1689989351 DVFHQMOYYPTGLA-MOPGFXCFSA-N 442.585 2.497 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCCC1 1690102323 IGSIVVXSQHKDIG-ZWKOTPCHSA-N 442.589 2.214 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690133384 FGTUSZVOFOWIOF-UXHICEINSA-N 439.560 2.172 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCCSC)CC1 1690148360 DSVSXRWATWGJGP-UHFFFAOYSA-N 426.590 2.373 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(C)C)CCO1 1690956412 QCIDANLQMMQMCU-OAQYLSRUSA-N 440.548 2.221 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1695534173 BBLQNKLJPZMLNH-LJQANCHMSA-N 440.504 2.413 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697209300 LFQMNXVGOPYHDN-YVHXKWHWSA-N 428.537 2.152 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1705575596 PSJSWAMGLBIBNE-FQEVSTJZSA-N 442.541 2.002 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)C2CC2)CC1 1705634281 QCDHFJXBCXWJJL-QFIPXVFZSA-N 431.487 2.463 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705652729 LERBCDZBRDWWAH-XUVXKRRUSA-N 427.549 2.077 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705694589 CWUGAMGCQPZAPN-NSHGMRRFSA-N 429.521 2.169 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705704232 RKZLPIRYHSUQLX-HDAAZOAOSA-N 441.580 2.262 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1705864618 HLFKEQSBVMMPSP-LJQANCHMSA-N 449.552 2.353 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)n(C)c1=O 1705878490 QLGFVHAPLDFSGE-UHFFFAOYSA-N 438.532 2.300 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1705905416 UYOCVEGIBOXYMN-UHFFFAOYSA-N 440.592 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705932612 WTHFOKUKZPVFCG-HZPDHXFCSA-N 436.607 2.446 30 10 IEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C[C@H](C)O1 1708248833 HWAHBQOCHKKCSP-OALUTQOASA-N 440.548 2.065 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1710314332 BWEFWOFUUVNBEB-IBGZPJMESA-N 440.548 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 1722303040 MZUNRYHZTOUTGP-GOSISDBHSA-N 428.556 2.480 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCc1nnc(C)s1 1722395145 RTUTXHCKWCORMU-OAQYLSRUSA-N 428.562 2.186 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722509631 NVLWVYOBVGBMDQ-LMNJBCLMSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722530656 AYKJUTHTJUYACZ-SFHVURJKSA-N 442.495 2.150 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722613671 LZKIUPXVVGBDOH-UHFFFAOYSA-N 448.575 2.307 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC(C)C 1722676854 MMYSYSWWKLTCOT-UHFFFAOYSA-N 440.504 2.359 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCS(=O)(=O)C1 1722680788 ZROCFTYUMKCNEP-SFHVURJKSA-N 443.573 2.355 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)C1 1722717932 FLDZZJISPKRDRL-AZUAARDMSA-N 441.532 2.002 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1722728182 RKWHBGHIFPZKHG-KRWDZBQOSA-N 442.520 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCSC2)C1 1722729658 STCAOOSWZXEEQZ-HXUWFJFHSA-N 433.603 2.198 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722742516 WHTAYIQXVIVRIG-FQEVSTJZSA-N 433.603 2.198 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CC1(C(N)=O)CCOCC1 1727408406 AECONAAQIKGPFK-QGZVFWFLSA-N 440.548 2.297 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1)S(C)(=O)=O 1728494444 GWGYESGTNVQWCK-KRWDZBQOSA-N 446.577 2.104 30 10 IEEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1730486816 NFVHBEJWZVERDD-OYHNWAKOSA-N 439.495 2.307 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(-c4cccnc4)n3CCCCCCO)CC2)c1 1731184847 KCFFFBOYLPDANN-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCn2cc(Br)cn2)CCO1 1731187720 WUOSMDNFOQATEZ-HNNXBMFYSA-N 448.350 2.318 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](CC(C)C)N(C)C)CC1 1740692728 LSPGJTIINLZLMR-HXUWFJFHSA-N 438.576 2.405 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1740856815 XMEJMQNDDHDUDK-LEWJYISDSA-N 439.560 2.437 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1740922035 QZYZVXVNBFRJLJ-LJQANCHMSA-N 433.559 2.077 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740956000 KGGUGDIJIWSQBA-MRXNPFEDSA-N 437.504 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740957028 ZANUTWLOHPDZPG-UHFFFAOYSA-N 444.433 2.171 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740999456 IGTDOUCXUDGJOM-UHFFFAOYSA-N 436.607 2.025 30 10 IEEE CCCCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1745489112 AOFJXORKPJLDDK-GUDVDZBRSA-N 436.626 2.431 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@@H](C)C1 1748685385 YXLOCCATDSOTQH-ROUUACIJSA-N 444.605 2.228 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1748747920 OQXZMOHWNWUBQD-XMSQKQJNSA-N 427.936 2.480 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1748751825 MZVQGLNMUMNZAA-UXHICEINSA-N 428.558 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748811422 GRFDANQGAHFZQN-GOSISDBHSA-N 431.562 2.172 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748819332 NCSVQQLAYHIEBK-FQEVSTJZSA-N 439.516 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1748840456 BBMLQBGSMHAXIZ-QGZVFWFLSA-N 425.537 2.397 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(N(C)C)CCOCC1 1748848620 LJSCVUOTEYUUJG-UHFFFAOYSA-N 427.499 2.331 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCCCC2)CC1 1749000873 CEAQBPKHGTVFFH-SFTDATJTSA-N 444.624 2.022 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1749040187 QIIWEVMOEPUWIW-UHFFFAOYSA-N 426.995 2.370 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749354679 WXSLETNUBHQSCE-HNNXBMFYSA-N 425.493 2.169 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749458775 NPJXXCRBOJAMMR-HNNXBMFYSA-N 435.488 2.056 30 10 IEEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749708150 CYVOPWKMAVFUDG-UHFFFAOYSA-N 438.532 2.470 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1750076459 NMXYNRPFJLBRBR-OCCSQVGLSA-N 441.479 2.436 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1C 1751537431 BIVGDMDOCCHCEU-YOEHRIQHSA-N 444.561 2.178 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)C1 1752474012 DSOXBYCNZZDTAI-IBGZPJMESA-N 449.515 2.494 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760095314 LMEHKHLECHGWPS-FPOVZHCZSA-N 436.560 2.046 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)N1CCOCC1 1760136504 XSUBTCUCRQXHPG-UHFFFAOYSA-N 447.543 2.229 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CC=CCC1 1760244461 WNYRVDUCUQSIIB-UHFFFAOYSA-N 447.381 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2cccnc2)CC1 1760258948 VAJHPWISHHXIGK-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)CCCC)CC1 1760259125 YXJIDXKSUCERTF-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc(NC(C)=O)nc1 1760290069 VKGVVLGDEUPZCH-KSFYIVLOSA-N 426.521 2.396 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1760325893 SQZDZBBVXBBBRC-DYXWJJEUSA-N 441.580 2.083 30 10 IEEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760361221 HSVVSTHTRHBKNE-UHFFFAOYSA-N 429.521 2.075 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1760456421 OOHJTZKGRJRTTQ-AEFFLSMTSA-N 449.577 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760553313 APRIKJGCEMTTLO-MSOLQXFVSA-N 432.594 2.168 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccn(Cc2ccccc2)n1 1761364653 RWBITAUREUEFSM-GOSISDBHSA-N 432.532 2.432 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCSCCCO)cc1 1770735695 NJMYTMARQSFOJW-MOPGFXCFSA-N 440.573 2.180 30 10 IEEE COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771117632 POHVZTFPUCJHME-UHFFFAOYSA-N 436.472 2.144 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC[C@H]2COCCO2)cc1 1771532235 SYGROQMAAZQHLX-FQEVSTJZSA-N 438.532 2.104 30 10 IEEE CCS(=O)(=O)N1CCN(C(=O)CCOc2ccc3c(C#N)c4ccccn4c3c2)CC1 1851990074 SYGFTLBVXSWFQM-UHFFFAOYSA-N 440.525 2.227 30 10 IEEE C#CCC(=O)O[C@H](CN1CCCC1=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 1852813673 SXXBKCYVMZLIFP-CQSZACIVSA-N 432.325 2.466 30 10 IEEE N#Cc1ncc(C(=O)N(CCS(=O)(=O)N2CCCCC2)Cc2ccc(Cl)cc2)cn1 1853410138 APMOPWCZEXYTTK-UHFFFAOYSA-N 447.948 2.460 30 10 IEEE N#Cc1ccc(CCC(=O)O[C@@H]2CON(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)cc1 1855442974 HITPNARNNZQZQA-IBGZPJMESA-N 436.436 2.458 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862600647 OMZOFRYLRAJVOC-BBATYDOGSA-N 429.425 2.074 30 10 IEEE CCN(CC)CCCCNC(=O)[C@@H](CCSC)N=C1NS(=O)(=O)c2ccccc21 1869933926 RSRFRVTXPPBTKG-QGZVFWFLSA-N 440.635 2.085 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 1870023070 IQXRBPHUORTUFV-RVKKMQEKSA-N 442.545 2.244 30 10 IEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491381 DIMDMXPNBFOSIM-UHFFFAOYSA-N 431.928 2.297 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)CC1 1890111667 KCUHLOANJUTYQB-UHFFFAOYSA-N 428.558 2.275 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 1890180227 ZVEGFHBBWLRQLO-UHFFFAOYSA-N 431.552 2.242 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)CC1 1890974849 DWKMRMNFIPIQAG-UHFFFAOYSA-N 425.360 2.260 30 10 IEEE C[C@@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)n1nc(-c2ccc(F)cc2)ccc1=O 1891434922 SOSCQGIJWDCZLL-MAUKXSAKSA-N 448.458 2.342 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 1892006213 SXVHQUYHJKQVMZ-GFCCVEGCSA-N 441.282 2.482 30 10 IEEE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NCC#CCO)c1 1984895853 OQJVWDWSFOVSDX-UHFFFAOYSA-N 430.242 2.364 30 10 IEEE C=CCN(CCC(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1987542826 OLTLNXJLNINWRC-HOTGVXAUSA-N 427.542 2.286 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 1992855926 GOAWGUFYZAZWFE-BZUAXINKSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1(O)CCC1 2014486500 UOGGQIFLEDQFTB-MOPGFXCFSA-N 428.533 2.031 30 10 IEEE CC[C@@H](C#N)N1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2060826077 PQLAIXFLGNHGPM-LEWJYISDSA-N 443.592 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247921068 IXOMZEUUZMIRGE-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255615088 JDWREDPFTILQCI-KBPBESRZSA-N 434.346 2.227 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2255697370 BFKCXMLFZKLOHX-FZNQNYSPSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256635693 FUBMTFOBRYQOSL-UHFFFAOYSA-N 434.342 2.143 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)cs2)OC1(C)C 2256924294 TTWPLTFMVFNOEY-UHFFFAOYSA-N 444.362 2.364 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2267155711 XQNHUWRYKYUQDO-CABCVRRESA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268631896 DOURVAIIXPQLDR-PBHICJAKSA-N 447.341 2.249 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)o2)OC1(C)C 2269073454 KSDDNGNBGYNZKK-HSZRJFAPSA-N 440.305 2.038 30 10 IEEE N#Cc1cc(Cl)ccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270516854 MMWLXPUCMLOQKF-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCN(C)C(=O)OC(C)(C)C)n1C 2315635869 OTMZVXJASHEOAP-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE COc1nc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501808 PMEYAZCNWAVGQV-FPTDNZKUSA-N 431.342 2.493 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc([N+](=O)[O-])c1 2328471414 NUUYFBRXPMRJSE-UHFFFAOYSA-N 441.429 2.145 30 10 IEEE O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C1CCN(C(=O)c2ccco2)CC1 12679652 DXWGSCMIJAOQAP-UHFFFAOYSA-N 444.513 2.241 30 10 IEEE N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCC2 15350950 UNQRITFTCNENRL-UHFFFAOYSA-N 430.555 2.053 30 10 IEEE C=CCn1c(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccnc1 20829952 NHKKEFSKOLBTIE-UHFFFAOYSA-N 444.542 2.294 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2sccc2C)C1 203567840 KWBPOTYSQRKVGV-HZSPNIEDSA-N 441.513 2.143 30 10 IEEE CCN1CCC[C@@H]1C/N=C(/NCCc1ccccn1)[C@@H](C#N)C(=O)Nc1nccs1 225504025 CHMJCHDVOQOWDE-QZTJIDSGSA-N 425.562 2.331 30 10 IEEE COc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 254508307 IBMSGPPGQIGYMN-UHFFFAOYSA-N 446.485 2.424 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccc(F)cc1 440385247 QMHNPBZHOKBEJU-UHFFFAOYSA-N 425.485 2.359 30 10 IEEE COCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1=O 461873737 XFINLFGQNUFNFS-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE Cn1cc(N2CCC[C@H](NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)C2)cn1 466079554 WXJYOJKOLJUYBH-IBGZPJMESA-N 444.543 2.341 30 10 IEEE CN(C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1)C1CCCCC1 488792811 GZMGDKHWGQRBFC-UHFFFAOYSA-N 438.981 2.309 30 10 IEEE CC(C)(C)n1ncn(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O 499486982 RLKHBZXZPRTJHN-HNNXBMFYSA-N 426.521 2.169 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](O)(C(F)(F)F)C1 508876065 WNSMBDZOMOJJEV-IBGZPJMESA-N 434.422 2.364 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508954997 ZGCXIRRYSQBEIC-YLJYHZDGSA-N 439.516 2.052 30 10 IEEE CN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)Nc1ccc(Br)cn1 532826349 QTIJHYDNIWAGEA-UHFFFAOYSA-N 437.319 2.060 30 10 IEEE CN1CCN(C[C@@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc2)CC1 545905502 ZJSXHUKYCWRXNJ-OAQYLSRUSA-N 430.516 2.249 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1Br 549239384 ZIBPADYKIUMFJT-CJNGLKHVSA-N 429.336 2.167 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 555255744 OIIPLUXCVUXTQG-UHFFFAOYSA-N 433.516 2.062 30 10 IEEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 576719946 VSKNKKIPSUSLLM-UHFFFAOYSA-N 429.498 2.370 30 10 IEEE COC(=O)c1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 578688681 CTYKUFIYEPBSSX-UHFFFAOYSA-N 428.875 2.203 30 10 IEEE N#Cc1ccnc(N2CCN([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)c1 603953832 KWSNSKQZJLQIDM-KRWDZBQOSA-N 429.402 2.426 30 10 IEEE COC(=O)[C@@H]1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)c(OCC(F)(F)F)n1 725395746 FZNYGQQAYOROON-ZDUSSCGKSA-N 445.247 2.249 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cccc(OCCOC)c2)cn1 726109473 BYUDTPHJWMRIJJ-SFHVURJKSA-N 445.545 2.196 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cscn2)C1=O 730139816 SFVUAZJJHQSOQE-KRWDZBQOSA-N 442.570 2.214 30 10 IEEE C#CCSCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 739828564 LCWMJTYHOXOVER-OAHLLOKOSA-N 431.377 2.085 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1ccc(C#N)cc1 740244940 GCSCMXWMENGJLW-YLJYHZDGSA-N 436.420 2.140 30 10 IEEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 741115805 YLVIRPZANCTTSU-LJQANCHMSA-N 442.497 2.304 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc(CNC(C)=O)s2)cc1OC 743450363 ZVDFBMGGXLPRAU-MRXNPFEDSA-N 429.498 2.083 30 10 IEEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 743735539 IPJSTOOBTVGMCA-OALUTQOASA-N 448.589 2.264 30 10 IEEE COc1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1C#N 746701062 DDFNMMAZWHYWOH-UHFFFAOYSA-N 430.530 2.394 30 10 IEEE COc1ccc(CNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C#N 746772190 JHDVSENCLQSUQD-UHFFFAOYSA-N 434.543 2.281 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 747243442 SNTJJGCSYRWCAH-RUDMXATFSA-N 442.497 2.121 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(Cl)cc4c3OCC4)cc2C1=O 756187685 PXSTVKWAGMHUQS-UHFFFAOYSA-N 446.868 2.176 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(CO)c(F)c1 762709491 QTXBYHIPXMRKLS-GOSISDBHSA-N 433.505 2.088 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC=C(c4ccc(Cl)nc4)CC3)CC2)o1 773651930 LJMFQBKJVMFGIA-UHFFFAOYSA-N 426.908 2.341 30 10 IEEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 779211869 CXGFNSBYUJJCKQ-GOSISDBHSA-N 445.497 2.003 30 10 IEEE CC(C)[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(F)(F)F 787959935 NYIQMGUIQYJYFV-BGHCKBSUSA-N 448.467 2.141 30 10 IEEE CSCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc2c(c1)CCC(=O)N2C 789999997 QGLOCJUIBSRFED-UHFFFAOYSA-N 441.586 2.400 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccnc(OC(F)F)c2)C1=O 790016405 KKGSAHYQINKZNH-VDTAOSLHSA-N 449.483 2.257 30 10 IEEE O=C(/C=C\c1cnnn1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 792865292 CTZQGONBKXRTCR-FLIBITNWSA-N 438.509 2.243 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)CCC(=O)OCc3ccccc3)CC2)c1 797157335 FSKSQCSJAKGJGH-UHFFFAOYSA-N 430.457 2.308 30 10 IEEE CSC[C@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1 799626160 YJCWFDONJORKOQ-HNNXBMFYSA-N 429.608 2.144 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 805781302 YKQLGQIRJBBRBV-GOSISDBHSA-N 434.500 2.456 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCCF)C1=O 812222274 JZZKAZIKWHAADN-KRWDZBQOSA-N 438.525 2.164 30 10 IEEE CN1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@H](c2cnn(C)c2)C1 849515647 FGDHGJKGOGGQQG-YADHBBJMSA-N 434.544 2.204 30 10 IEEE C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1=S 874068115 HWKADSAZUTVKNN-SFHVURJKSA-N 428.562 2.190 30 10 IEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cn1 1084201046 BDCDSOPOIVNTPK-UHFFFAOYSA-N 425.522 2.168 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1129390098 RPDVCCNSXIEBKN-UHFFFAOYSA-N 449.554 2.263 30 10 IEEE CCOC(=O)c1c(NC(=O)c2nn(C)cc2I)c(C#N)cn1CC 1129833256 LUIGXXWGZNIIRN-UHFFFAOYSA-N 441.229 2.147 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1154958112 AEBFMSUKKFFARN-SFHVURJKSA-N 445.516 2.463 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4cccc(F)n4)CC3)ccc2c1=O 1161360832 VKXVYTNKVHSISR-UHFFFAOYSA-N 425.489 2.368 30 10 IEEE C=CCOC[C@@H](NCc1nc(Br)c(Br)n1CC)C(=O)OC 1181235299 UKCWRIYRZPBYMI-SECBINFHSA-N 425.121 2.262 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1ccc(N3CCCS3(=O)=O)c(F)c1)C2 1235136397 HHXJRSPMUDGAPE-GOSISDBHSA-N 428.489 2.204 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(C(C)(C)C)c1Br 1266191298 ZMGPKIGUCZUYLI-GFCCVEGCSA-N 432.326 2.413 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286311264 GDAMKXSLYUOCTQ-UHFFFAOYSA-N 439.564 2.340 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286329317 UUTBYSPDWXFIND-NFBKMPQASA-N 449.603 2.056 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286336844 YUCYYPYUFQUTKO-GOSISDBHSA-N 425.537 2.448 30 10 IEEE C#CCCCn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@]1(OCC)CCOC1 1286359615 FUUCMNLKZJJXSN-NRFANRHFSA-N 430.578 2.122 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(CC)CC 1286442583 FTCNIKLONDRUEH-KRWDZBQOSA-N 431.610 2.428 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(C)c2)CC1 1286495465 WQTIZLRXNDCTGT-UHFFFAOYSA-N 426.590 2.418 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1286505180 XOEXTSAOBIOMCP-UHFFFAOYSA-N 437.573 2.380 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286508756 VLSWQCCJHAMQAX-GOSISDBHSA-N 427.574 2.405 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1286758363 LISUDTPCNSMOCD-LJQANCHMSA-N 443.573 2.097 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1286773939 VYIZFPFDKDSHDO-SFHVURJKSA-N 445.589 2.141 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](F)(C#N)C1 1286782581 YZHNCJAQCFNRDI-SFHVURJKSA-N 433.285 2.452 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286790155 CJEZCLGNMJUSDB-ZHRRBRCNSA-N 445.951 2.209 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOCC1 1286817276 SCNQHZGCSLNXMW-UHFFFAOYSA-N 426.926 2.045 30 10 IEEE CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1287284399 XCORNOVZIWNFGR-KDDVOAFDSA-N 441.561 2.377 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cscn1 1288267620 DPWGQAMOSBFZPH-UHFFFAOYSA-N 445.574 2.237 30 10 IEEE CCCc1c(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)cnn1-c1cccc(C#N)c1 1296632277 PUASCPOBQGECLL-UHFFFAOYSA-N 438.513 2.153 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1300441413 NOUPKORJLZWINS-ICSRJNTNSA-N 445.589 2.326 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300496861 VNPORTOLXDGNRJ-DLBZAZTESA-N 448.614 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](COC)OC 1300536435 XMZDLWBYIWWDSG-MOPGFXCFSA-N 445.564 2.127 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C=C)cc1 1300556597 JUCGIGVZYPFZOC-SFHVURJKSA-N 425.558 2.237 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1300863959 WSLNVGDZNPVJLA-MRXNPFEDSA-N 447.337 2.396 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1300868497 FBQQUTNXEULILZ-FBBABVLZSA-N 441.532 2.395 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1300885514 QDEJXZJANLRSCT-INMHGKMJSA-N 437.591 2.254 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@@H](C)C1 1300901032 VQLCHYKWBZNQLQ-SQNIBIBYSA-N 426.631 2.411 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300912784 LRHIWKRZUHWTPT-CVEARBPZSA-N 444.502 2.285 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)C1 1302433673 DCHVGVKHSATPJS-HXUWFJFHSA-N 436.541 2.468 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCC[C@@H]1C 1302953748 BIIFSCUIGPDMLR-IUKKYPGJSA-N 438.580 2.404 30 10 IEEE CC(C)CN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1303150243 GOBHFICGUMAFQI-ZZEZOPTASA-N 426.525 2.076 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)OC 1304139716 VGHCRRKQWDOSBU-HXOBKFHXSA-N 442.516 2.391 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1304668357 CVTBZZRBKCAMCY-BVGIJJTOSA-N 441.561 2.397 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1306740343 LHWRQSNTVLWUCW-MRXNPFEDSA-N 436.520 2.324 30 10 IEEE COC(=O)C1(C#N)CCN(C[C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CC1 1308765529 IEUBVLXTYVJCHV-QGZVFWFLSA-N 433.553 2.191 30 10 IEEE C#CC[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1312660047 FHAVGNXLEKGXNB-CQSZACIVSA-N 428.352 2.091 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(c3nc(C(=O)OCC)cs3)CC2)cc1 1312736791 SVLSMOHWTBNTAL-UHFFFAOYSA-N 428.514 2.364 30 10 IEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1)S(C)(=O)=O 1313803566 WOGKBTXIOJXMOZ-UHFFFAOYSA-N 444.561 2.167 30 10 IEEE CCNC(=O)C1(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CCC1 1313980053 BNCMOFOPOLARMI-CQSZACIVSA-N 427.509 2.051 30 10 IEEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1358916121 APWXHPJEZLGHLZ-HXUWFJFHSA-N 425.533 2.229 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358956526 HDVMYWMYSUMWHG-MSOLQXFVSA-N 449.621 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358961104 RQBJEAIEWJWERW-GOSISDBHSA-N 445.589 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCC)c(OC)c1 1358967672 PSQIEBJSEVUGPV-UHFFFAOYSA-N 435.528 2.433 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1358969746 VRTBQQYIQCPVGE-SJORKVTESA-N 430.505 2.065 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(OC)nc1OC 1358971655 DJYYIEFADRIRBC-UHFFFAOYSA-N 432.440 2.387 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1359008807 AMKKWPVJCPFATM-SBUREZEXSA-N 444.580 2.330 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1359070941 YMQZAOZLCJOQFU-OEMYIYORSA-N 435.594 2.039 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359227027 RHEARGBICYOEDD-DLBZAZTESA-N 448.568 2.268 30 10 IEEE C#CCN(C(=O)Cc1ccc(C(N)=O)nc1)[C@H]1CCOc2ccc(Br)cc21 1435175974 PCBZNNZOUPPSQT-KRWDZBQOSA-N 428.286 2.471 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CSC[C@H]3C(=O)N3CCCC3)C2)C1 1440744321 DAWXLRBKZFBXAO-IZCOPSDLSA-N 448.589 2.297 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 1455182494 GGLNYDNZKAWDGG-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 1459403408 ZFMIHIOFBDJKRH-IAGOWNOFSA-N 426.542 2.460 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2c[nH]nc2I)CC1 1463792322 CKVDBJMXDCEYPU-CQSZACIVSA-N 439.232 2.176 30 10 IEEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)no1 1471444709 RYFWMPPAIWLQKL-ALOPSCKCSA-N 429.502 2.039 30 10 IEEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1472603565 MVIAJHHURCNJGL-UHFFFAOYSA-N 426.538 2.227 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1493168189 BXELYBKROCEVNI-KRWDZBQOSA-N 449.559 2.132 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1NC(=O)CC1(C)C 1503123772 NQYUNOPLFOLKFX-RTBURBONSA-N 438.532 2.179 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507713365 HJUFNGRFEDNWLT-WIYYLYMNSA-N 427.597 2.346 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507749855 ZEIPASYXUMEDOB-LJQANCHMSA-N 432.937 2.391 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1507807378 VKNAEWAMNVMQDX-WIYYLYMNSA-N 442.539 2.451 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507866944 DRLNKZCIXGBUPX-UHFFFAOYSA-N 438.985 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C#N)C1 1508134670 HIBSDMOUHIIHNB-MOPGFXCFSA-N 429.546 2.150 30 10 IEEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)COCCO1 1510346329 ZUZOCNDYHWHTSE-APWZRJJASA-N 437.422 2.390 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1(C(N)=O)CCCC1 1539421799 YMKJDBILKUXKHG-UHFFFAOYSA-N 434.544 2.413 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)CCCNC(=O)C1CCC1 1539593183 WIQQWYUEWFQHGH-UHFFFAOYSA-N 436.358 2.330 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCCC1 1539615702 KQRZOSHJKDQRLC-JQHSSLGASA-N 425.599 2.496 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1540875457 MTHVXRUEMXHSMY-HOTGVXAUSA-N 429.546 2.249 30 10 IEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1541002151 RTSFHHPAUPWXFC-OXJNMPFZSA-N 439.564 2.077 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 1541072802 OMYGKBOAGANRDS-ZHACJKMWSA-N 442.537 2.212 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C(N)=O)cc2)CCOC1 1541714432 UVSLTYZTOLMIQM-KSFYIVLOSA-N 426.521 2.204 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)CC2)c1C#N 1543001724 ZVDKDGKYAFKJMD-UHFFFAOYSA-N 433.520 2.329 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1546856205 JIECFHFOSWICHM-HOCLYGCPSA-N 431.928 2.275 30 10 IEEE COC[C@H]1CN(S(=O)(=O)c2cccnc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548402768 RFULXDGSNZJLOV-MRXNPFEDSA-N 440.447 2.498 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCO[C@@H](c4ccnn4C)C3)ccc2c1=O 1556636454 FNSPUAIPMRHACC-RDTXWAMCSA-N 425.514 2.255 30 10 IEEE Cc1ccc(C(=O)NC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)cc1 1557810592 CDGQBINNYJKIIB-UHFFFAOYSA-N 439.537 2.203 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)N2CC[C@@](C)(C#N)C2)C(F)(F)F)CC1 1564644787 PIDHMPCELFOSLJ-KSSFIOAISA-N 433.475 2.415 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 1565163345 DOHPSDGISPOTSO-QFIPXVFZSA-N 434.544 2.076 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1C 1567384134 HOUWVFSNQNJVJP-UHFFFAOYSA-N 427.526 2.360 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1584348531 YAWSABVTTVIZPS-UZUQRXQVSA-N 444.507 2.229 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1587633401 UYNOGCXKVGIIET-GSHUGGBRSA-N 433.553 2.002 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1587862005 RWLKLAWJWNAPKS-SFHVURJKSA-N 433.553 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1cccc(N2CCOCC2)n1 1588149108 FOIDDTRLPRCCHA-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCC1(O)CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 1588766262 SQYFBSMKKXYGSM-UHFFFAOYSA-N 429.561 2.390 30 10 IEEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1ccccc1NS(=O)(=O)C(F)(F)F 1588775676 SIOLKJKXMIYTBZ-QMMMGPOBSA-N 430.273 2.236 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589007998 RMWRKOIOPBPGKD-HNNXBMFYSA-N 428.518 2.277 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1589134788 PNQHSFCDVYDECD-QHAWAJNXSA-N 446.665 2.491 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)N(C)C 1589251716 SRJTWADOGPPULN-JOCHJYFZSA-N 445.589 2.303 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589560148 XCHVWJMOCJVBQZ-FXAWDEMLSA-N 437.610 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1595805154 LJINYLGEBJIOEO-INIZCTEOSA-N 441.598 2.182 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)cn1 1596333014 QMFQSRACIBQFDH-ZDUSSCGKSA-N 436.476 2.003 30 10 IEEE CN(C)C(=O)COc1cccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1596529243 UHGDWJULWVDCOS-GOSISDBHSA-N 432.521 2.357 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(N(C)C)CCSC1 1602851394 XUBFGISMNOCVRM-JOCHJYFZSA-N 440.621 2.432 30 10 IEEE CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1606972408 UBVZZUPZWKUMHG-HKBOAZHASA-N 437.544 2.485 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O 1611292350 MRXXPMFODIKZSR-CQSZACIVSA-N 425.942 2.398 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 1615210743 KDAOPUBNGVXKFJ-HNNXBMFYSA-N 426.439 2.454 30 10 IEEE C=CC[S@@](=O)(=NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)c1ccccc1 1616818385 UDGLCJUUJOBUJC-PMERELPUSA-N 430.530 2.500 30 10 IEEE C[C@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1618436838 HFNXKAPCQBHKKN-QGZVFWFLSA-N 432.329 2.390 30 10 IEEE CNC(=O)c1cccc(CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)c1 1618610404 DPORMFIPQDHDMF-HSZRJFAPSA-N 432.532 2.411 30 10 IEEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cc(F)ccc1F 1627680262 QJBYEWDBOUJYHV-MRXNPFEDSA-N 426.372 2.045 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 1632217170 FTKYXSMVXYBCME-UHFFFAOYSA-N 439.537 2.438 30 10 IEEE CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCCOC1 1633781849 DXJZQXKKVKXFIW-HKUYNNGSSA-N 431.338 2.382 30 10 IEEE C#C[C@@H](NC(=O)COc1nsnc1N1CCOCC1)c1ccc(Br)cc1 1636542493 XPZWOGVURSTUGR-CQSZACIVSA-N 437.319 2.007 30 10 IEEE COC(=O)N(C)CCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636976698 MPPLLUSXWROZLA-HTQZYQBOSA-N 427.292 2.497 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)CC1 1640201709 MPMCXDUFNUWOMM-UHFFFAOYSA-N 437.340 2.111 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 1648413647 FWHUTQXANICYRL-VGSWGCGISA-N 447.557 2.118 30 10 IEEE COC(=O)[C@](C)(Cn1cccn1)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1648560187 DUAOECCLEAMRAG-QFIPXVFZSA-N 426.521 2.448 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1649538092 MQPQTYCMXBRZIN-RDPSFJRHSA-N 445.608 2.423 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1656404596 GLDKXJYDDXROGC-MOPGFXCFSA-N 438.546 2.462 30 10 IEEE C#CC1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)CC1 1659143002 ZKCXFQXICDVZOT-UHFFFAOYSA-N 432.590 2.211 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 1665968568 CQHOZFYCBFJGAO-WOJBJXKFSA-N 431.514 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1689848059 NTKKPCSLSRYKOJ-MRXNPFEDSA-N 435.532 2.163 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC(F)F 1689948731 DMEJLJSHMISPML-UHFFFAOYSA-N 426.493 2.245 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCOC1 1690075612 PJGZOUPVKWEDON-JOCHJYFZSA-N 433.553 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCOCC(F)F)CC1 1690150246 AIFFVTWHCMPSDD-UHFFFAOYSA-N 437.516 2.178 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1690207775 LFNOOEYCOLAZCH-JOCHJYFZSA-N 425.508 2.282 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690238197 GKSCKJZBJDKCIN-XCJLJZCSSA-N 447.580 2.184 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690462549 JSSCRTOEGSQAQM-KRWDZBQOSA-N 425.599 2.389 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCS(=O)CC1)C(C)C 1690580881 HSURGLQHNDWKDS-LJQANCHMSA-N 429.594 2.002 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690715481 MMJBVUPKADGSRB-QGZVFWFLSA-N 441.598 2.271 30 10 IEEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)CC1 1692849010 SXMJDBSKVXPRMC-UHFFFAOYSA-N 444.580 2.364 30 10 IEEE C[C@@H]1CCCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1693681042 IPTJYRFXZKZBGV-XMSQKQJNSA-N 431.560 2.468 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1F 1694352676 DQQZZHBLZZIULT-KRWDZBQOSA-N 430.484 2.121 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@](F)(C#N)C1 1696621339 IBVHGATVIFLPGO-FQEVSTJZSA-N 443.508 2.014 30 10 IEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1698023981 DTRRHHNQBDLHCD-KNQAVFIVSA-N 437.592 2.458 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1698223350 NJWVMLDBLSDPDH-IBGZPJMESA-N 435.532 2.282 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[C@@H]2CCOC2)cc1 1698489379 PQSRGFOYSJUASK-MOPGFXCFSA-N 438.532 2.247 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705517326 TUIQWODZHYFPIA-HOTGVXAUSA-N 447.527 2.057 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705561322 PAZHEZRBJJAUFQ-VQIMIIECSA-N 435.981 2.170 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1705564726 CHTAWGOQOMURPU-SFHVURJKSA-N 437.525 2.029 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1705704532 VZDDWXOXLDROFR-ZJOUEHCJSA-N 428.581 2.422 30 10 IEEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705810345 VPAHUCAYATXBPU-XMSQKQJNSA-N 432.569 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1705900015 NJKSCNNWRJXDFD-UHFFFAOYSA-N 444.543 2.174 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1706744486 MZTSSPSELCUUNF-WHSLLNHNSA-N 425.493 2.002 30 10 IEEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1709869591 CWFOUHPQYMVREQ-UHFFFAOYSA-N 431.500 2.327 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)C1=O 1711272989 XIDIIWXAROFGBT-QHCPKHFHSA-N 433.516 2.337 30 10 IEEE COCCOc1ncccc1Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1712582092 DABKNWHRMDJOGR-OAQYLSRUSA-N 448.527 2.261 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712885842 ZWQDDWPOUYKKTL-IDYLYPCZSA-N 439.520 2.176 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722363629 ASVSTQLZLRPVIL-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1722372787 FFUPFTJEUWCTLZ-MOPGFXCFSA-N 448.527 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCCO 1722380192 HSLXBVSCNMEYEL-UHFFFAOYSA-N 432.528 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1722511473 ZRNAIRVARNDRDV-OGWOLHLISA-N 430.578 2.282 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722558961 FJPJDFGDBHUKTI-GUYCJALGSA-N 430.896 2.290 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722691361 UDLPRISYMLYYRP-CWJKEVGVSA-N 444.624 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1722697385 IUFPMRMUHFXVCV-UHFFFAOYSA-N 433.516 2.104 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cncn2)C1 1722742917 KSKOBYQYCUYGNF-SFHVURJKSA-N 427.582 2.492 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1728097562 UJHVPGRJQPKVEI-CYFREDJKSA-N 435.576 2.463 30 10 IEEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1730486815 NFVHBEJWZVERDD-NYHFZMIOSA-N 439.495 2.307 30 10 IEEE CS[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1731048151 YYBFNBFMJLUMRP-HNNXBMFYSA-N 438.561 2.426 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1740600513 OHUTVNBMQXOUOK-QHCPKHFHSA-N 431.581 2.035 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740620951 IKVGCVHSVFKULQ-SFHVURJKSA-N 447.580 2.441 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1740628462 XWVGXXXUYXOKDA-OALUTQOASA-N 438.594 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNS(C)(=O)=O 1740649038 MVELVDPKSSEPGO-IBGZPJMESA-N 443.573 2.047 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)OC)CC1 1740708149 DOROGXKIKOTOMX-SFHVURJKSA-N 439.560 2.073 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)CC1 1740758793 BYXKWAAREGHQFC-TZIWHRDSSA-N 430.574 2.393 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1=CCCOC1 1740941062 ASLVOKSBWRZATR-UHFFFAOYSA-N 439.564 2.438 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2ncccc2c1 1740941224 FMCOUEHAIWGBFW-LJQANCHMSA-N 441.557 2.416 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1741133423 QMIHEORJAJRNFU-HOCLYGCPSA-N 445.545 2.332 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748637803 GHCWNSKLXOJVLY-VQIMIIECSA-N 438.532 2.040 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)NCc1ccco1 1748855752 KCPUAVFZWPSTRL-UHFFFAOYSA-N 431.496 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCOC1 1748886555 GYPMPDVWBBFBEB-UHFFFAOYSA-N 428.496 2.002 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H]1C 1748921262 ZYFXMYBIORTQHV-KRWDZBQOSA-N 429.594 2.182 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(Cn3cccn3)cc2)CC1 1749014944 PZQRTAULPIPRCV-UHFFFAOYSA-N 431.544 2.099 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1749022385 IZJBLBMBMRWVQS-OAHLLOKOSA-N 443.639 2.039 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)CCS(C)(=O)=O 1749131799 VWXQMVJMHSROFM-KURKYZTESA-N 426.583 2.372 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@@](=O)CC)CC1 1749334751 MHDGSXVBDVSKDM-PMERELPUSA-N 426.550 2.092 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749358725 PNTAWZVTYPCUQG-SFHVURJKSA-N 440.596 2.374 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1749458153 ZHUWDTDGUJAROM-WMZOPIPTSA-N 444.511 2.404 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1749651587 YJXDUTOMGGORFC-IRXDYDNUSA-N 442.951 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOC[C@H](C2CCC2)C1 1749729091 AMWVWZIUGCHNBJ-GOSISDBHSA-N 433.578 2.137 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1749765775 HTQYILFTRZBZJI-HOTGVXAUSA-N 437.566 2.000 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccccc1F 1750390012 CFUGZDGBWSIIMN-UHFFFAOYSA-N 434.479 2.434 30 10 IEEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cn(C3COC3)nn2)cc1C 1751551999 GVOCOYUZYIHQBW-KRWDZBQOSA-N 436.520 2.423 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760143296 BQJFYMCOKXBDNE-FGZHOGPDSA-N 444.624 2.164 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760161369 GKFBFUVGVDFGEB-FPOVZHCZSA-N 442.564 2.343 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760183630 CIKHURHZBJAQIG-IERDGZPVSA-N 434.537 2.118 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760192677 WORHUUUTRDWJCK-UFYCRDLUSA-N 434.606 2.453 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1760262767 ZUGUUHMYDJNALI-HSZRJFAPSA-N 447.562 2.461 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1760400829 PAUIRQLAAFVJEV-HXUWFJFHSA-N 438.580 2.080 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1760412616 OQXRWDLICJTMTJ-ZACQAIPSSA-N 437.610 2.306 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760445527 MVAKGWXWJMCHQU-GOSISDBHSA-N 440.548 2.407 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760524186 RDFYTYHFBXFYIC-UHFFFAOYSA-N 436.560 2.048 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1760526302 KNDPMSXPUQDPMW-HOTGVXAUSA-N 426.546 2.361 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCCC2)C1 1760533360 DYWHNYSSQNTDLL-LJQANCHMSA-N 444.580 2.088 30 10 IEEE CCc1nnc(N2CC[C@@H](c3ccc(OC)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762964426 QZQZKCFOJITUGW-KTVWJZFRSA-N 436.516 2.369 30 10 IEEE CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1764224327 UGIVBDDJMISNFP-RBUKOAKNSA-N 425.493 2.455 30 10 IEEE CS(=O)(=O)CCCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770328635 RZMKTQRXSGQXLZ-HXUWFJFHSA-N 448.637 2.402 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1772566475 QCZDXCJQUNUQBJ-GHTZIAJQSA-N 440.596 2.101 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)C1 1772887266 GTVPFYROQBFJJQ-HNNXBMFYSA-N 434.591 2.088 30 10 IEEE CC(=O)N1[C@H](C(=O)N=c2ccc(C#N)c[nH]2)CSC12CCN(Cc1ccccc1)CC2 1851366096 PLKVXKCNDHJRPN-FQEVSTJZSA-N 435.553 2.270 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1C#N 1851417457 YOKDJQIHJNHSGN-PMACEKPBSA-N 433.512 2.491 30 10 IEEE Cc1nnc2c(N3CC[C@H](N(Cc4ccc(-n5ccnc5)cc4)C(=O)CC#N)C3)nccn12 1853470893 RBQAPCGKQXGLCR-FQEVSTJZSA-N 441.499 2.140 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4c(F)cccc4F)C(=O)C3)C2)s1 1856326878 MTWSIBIAAIODLD-CQSZACIVSA-N 430.480 2.457 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NCCc1nc(Br)[nH]c1Br 1858192844 YLJNSYNCAUAWLY-UHFFFAOYSA-N 434.113 2.327 30 10 IEEE C[C@H](NC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)O 1858788272 AWXIYNOLTMDMED-JTQLQIEISA-N 429.458 2.116 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 1861341717 RUMJUSDEIYTDEE-IBGZPJMESA-N 441.440 2.172 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1862569923 YCCLXZBOQOQLOY-LJQANCHMSA-N 429.425 2.076 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862634153 UXLBBQUMCKVHBZ-MPBGBICISA-N 441.436 2.479 30 10 IEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2cccc(F)c2)CC1 1866868527 UVQGYJLIJGRMDR-ZWKOTPCHSA-N 430.505 2.280 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2Cl)cc1 1870107487 KZAPNIUNMBZAED-UHFFFAOYSA-N 430.877 2.475 30 10 IEEE C=CCNC(=O)c1cc2c(N3CCN(Cc4ccccc4)CC3)ncnc2n1CCOC 1873589913 WANNWFFGUPSLDE-UHFFFAOYSA-N 434.544 2.316 30 10 IEEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCCCCC3)ncnc21 1873593797 HVGLEEZEPIAFRH-UHFFFAOYSA-N 426.565 2.450 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1889869824 IOFCLHDYIKSLSQ-GOSISDBHSA-N 445.507 2.320 30 10 IEEE CSc1cccc2sc(N(C)CC(=O)N(C)C3CN(c4nccnc4C#N)C3)nc12 1891771885 QPXXTCKZWRGOGA-UHFFFAOYSA-N 439.570 2.463 30 10 IEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](O)C#CC(C)(C)S(C)(=O)=O 1901324023 QJRKDSQECZWALU-LJQANCHMSA-N 438.590 2.201 30 10 IEEE C#CCC[C@H](O)CNC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009820420 QWAYORMIPPAOEA-FQEVSTJZSA-N 429.561 2.436 30 10 IEEE C=CCC1(NC(=O)C2(NC(=O)OC(C)(C)C)CC(CO)C2)CN(C(=O)OC(C)(C)C)C1 2018341020 YUKLFPOAYJPBDT-UHFFFAOYSA-N 439.553 2.334 30 10 IEEE C=CC1(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 2019465884 GKZNHPYXMDPLOH-PEBXRYMYSA-N 439.553 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CS)C(=O)O 2229105096 SYKBGAOBLZZFPS-STQMWFEESA-N 447.351 2.384 30 10 IEEE C[C@@H](CN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243418199 XFWCBGQQEVTKDP-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435097 KOEOPNYSACDUNP-GJZGRUSLSA-N 430.376 2.491 30 10 IEEE CC1(C)OB(c2csc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c2)OC1(C)C 2247822001 AZBABHVIMWKJQA-NWDGAFQWSA-N 430.257 2.035 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248402778 ATQNQGYSHQVILU-DOMZBBRYSA-N 440.371 2.110 30 10 IEEE CC1(C)OB(c2cccc(N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)n2)OC1(C)C 2255363295 LPCFNFZECQEYCX-MJBXVCDLSA-N 425.260 2.417 30 10 IEEE C[C@@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255706752 NNWYGPQODQEKKA-YPMHNXCESA-N 430.232 2.108 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255822706 ONYUBMXBLBZDLH-MRXNPFEDSA-N 444.772 2.377 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255854318 ALJFQAGQDUYXHF-GFCCVEGCSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256021706 JTLIKCZPPCKESF-JOCHJYFZSA-N 433.358 2.352 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256736773 HLRQJZZHTFJSBU-HEHGZKQESA-N 449.382 2.314 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)o2)OC1(C)C 2258242356 WSUWNHIMOPIVKN-GFCCVEGCSA-N 430.232 2.252 30 10 IEEE CC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2267092335 VPSNKHRKNDIECH-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE Cn1cc(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129913 HSKRBPDOIOEDGU-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 2267146469 KRVXJHIDPZMQDF-ZBFHGGJFSA-N 448.373 2.187 30 10 IEEE CCn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267178706 GJHRTTBHBLNZTP-CABCVRRESA-N 448.373 2.330 30 10 IEEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267179647 SSSGGCDQMMMWHP-CABCVRRESA-N 448.373 2.330 30 10 IEEE Cn1ncc(C(=O)NCCCOCCOCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267512071 CONMUYGOHAUTJI-UHFFFAOYSA-N 443.353 2.073 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2267524329 OKBCWPYPGNWVML-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE COCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2267566675 DDKNHVNIHKDBFV-UHFFFAOYSA-N 449.357 2.022 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268701542 QSESSKHRCWXSMU-INIZCTEOSA-N 447.341 2.345 30 10 IEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1ccc(OC)cc1OC 2331235002 DMEWGHJZBYRKRC-UHFFFAOYSA-N 435.550 2.327 30 10 IEEE Cn1cc(Br)c(S(=O)(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)n1 2342559798 GHCTUGLKKARWMV-HNNXBMFYSA-N 434.165 2.430 30 10 IEEE CC#CCN(C[C@H](NC)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2353756581 JEEGXBRWGJDWFF-ZDUSSCGKSA-N 430.347 2.208 30 10 IEEE C[C@@H](C#CC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)O)NC(=O)OC(C)(C)C 2366840681 AEVYRTNYNIHBBS-SWLSCSKDSA-N 439.306 2.478 30 10 IEEE COC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C#N)C1 9446667 YXKXOTQXJVSLMZ-UHFFFAOYSA-N 448.526 2.247 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccccc2O)n1N 20527317 QJXATJJHMMNLLV-SRZZPIQSSA-N 427.490 2.273 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 32305502 KLXSVZYTGULUCM-UHFFFAOYSA-N 441.553 2.494 30 10 IEEE COc1ccc(C(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59887603 QAFSLIBNDMXRMO-KEBDBYFISA-N 429.506 2.040 30 10 IEEE COCCn1c(NN=C/C(Br)=C\c2ccccc2)nc2c1c(O)nc(=O)n2C 254451917 NHRFJJDNYDGSLH-MQFSGWNHSA-N 447.293 2.316 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 432948232 JVLQNAOFXCFAIO-UHFFFAOYSA-N 428.474 2.028 30 10 IEEE N#CCCN(C(=O)CCC(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccccc1 447682045 UZIGTBGUXDEPHR-UHFFFAOYSA-N 433.512 2.196 30 10 IEEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 463764569 GJQMXTJZZYKJRE-UHFFFAOYSA-N 445.541 2.131 30 10 IEEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Oc1cccc(F)c1 466147780 RBAZWTKMRHVGDW-MRXNPFEDSA-N 446.504 2.181 30 10 IEEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481252229 GXDOKUIWLGUWCU-SJORKVTESA-N 443.525 2.063 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 505647022 QRDRCXXNKLPXQK-UHFFFAOYSA-N 445.516 2.416 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)cc2c1OCO2 522109886 DROLYBQFINUNIK-UHFFFAOYSA-N 440.521 2.175 30 10 IEEE COc1cccc(N2CC[C@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)c1 523267178 LTFRGEKYMXAEPB-QGZVFWFLSA-N 442.541 2.143 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccccc2)c1=O 526035780 BFLYBUFKIUNPHM-UHFFFAOYSA-N 447.535 2.441 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)Cc2ccc(C(=O)OC)cc2)nc1C 526852201 APISCSHWKLDYNJ-GDLZYMKVSA-N 436.511 2.468 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1-c1ccccc1C 532011839 HYKOCCGZLTZZMG-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)c1 535329525 MWWCAHQUAIUYNA-LJQANCHMSA-N 438.549 2.360 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)C[C@]2(CCOC2)O1 549487497 WOBUBKZHASZRBM-LLBVYWAGSA-N 439.516 2.292 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 551477095 DFRGPPXGQSEWRG-UHFFFAOYSA-N 444.561 2.377 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 558454279 DVPXJJVCEUMTTE-UHFFFAOYSA-N 435.525 2.187 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1Cl 573906605 GVVGFOAPJTTXEY-SNVBAGLBSA-N 428.757 2.466 30 10 IEEE Cc1nsc(N2CCN(S(=O)(=O)c3ccccc3Cn3ccnc3)CC2)c1C#N 574964636 OTNQPDNIVZXMMF-UHFFFAOYSA-N 428.543 2.079 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)nc1C 586350935 QIYKSFDDBRWUFJ-LJAQVGFWSA-N 439.490 2.259 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCCO1 590914395 VAZNBGDJTSBVLW-KRWDZBQOSA-N 445.972 2.017 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609255626 GQPJBEHAZVYBPS-UHFFFAOYSA-N 446.504 2.290 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2)n1 619663428 MEKXAOAVHWQSCK-UHFFFAOYSA-N 431.504 2.390 30 10 IEEE Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706880 RBUJWMRMWTVEGI-XLIONFOSSA-N 437.544 2.147 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 742279538 WKEHNQTYPYZNSZ-ZDUSSCGKSA-N 426.585 2.405 30 10 IEEE C[C@H](CC(=O)OCC(=O)c1c[nH]c2ccccc12)/N=C1/NS(=O)(=O)c2ccccc21 745495263 FHVKJNABNALSNT-CYBMUJFWSA-N 425.466 2.411 30 10 IEEE O=C(O)C#CCNC(=O)[C@H]1CC[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)O1 757472264 WBKPVPIVDVRQKW-OPAMFIHVSA-N 448.475 2.277 30 10 IEEE CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780954786 QYXUOOFREBIRQT-HXUWFJFHSA-N 437.477 2.499 30 10 IEEE COC(=O)N1CCC[C@@H]([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 788674149 CDTDWKYXXDQJFE-WCQYABFASA-N 430.324 2.466 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 788997390 OHBBYZRYEYLFNV-GOSISDBHSA-N 429.908 2.133 30 10 IEEE C[C@@H](C(=O)OCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)n1cnc(C#N)n1 798740612 YAEIWWCDZJEAGD-HNNXBMFYSA-N 443.467 2.434 30 10 IEEE C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 803848298 ODCDTEYWVQFDRI-HNNXBMFYSA-N 442.497 2.312 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(CC(F)(F)C(F)F)CC1)C(F)(F)F 810404175 IHQYDBMWHMAYPI-SECBINFHSA-N 425.345 2.487 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)(F)F 811041717 GVQNMBBCCDCMND-QJPTWQEYSA-N 436.431 2.317 30 10 IEEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NC2(C#N)CCCC2)c1 917377597 DVHOVFCBJPCGET-UHFFFAOYSA-N 447.298 2.108 30 10 IEEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1137749635 LSGYDGFLVLJGRF-AWEZNQCLSA-N 438.502 2.105 30 10 IEEE C#CC[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1)C(=O)OC 1141994945 DBOYBDZQJHNNFM-HZPDHXFCSA-N 439.281 2.264 30 10 IEEE C#CCN(CC(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)C(=O)OC(C)(C)C 1160050123 DGCNRBJWQKBJFM-UHFFFAOYSA-N 434.436 2.467 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1161580885 VSSISXPIPWZKFK-SFHVURJKSA-N 429.542 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)C4(C#N)CCCC4)CC[C@@H]32)CC1 1161791267 CVEYLZQOAWHVFT-MSOLQXFVSA-N 445.564 2.465 30 10 IEEE Cc1ccc(C(=O)/C=C/C(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1175844379 CIOIUGCXWIOOQI-MDZDMXLPSA-N 425.489 2.434 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 1201593250 VKNYPTSZYFHUPT-KRWDZBQOSA-N 428.514 2.454 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1286348852 AOWUHCDAIFGCGF-IBGZPJMESA-N 449.552 2.190 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286350027 SOYRRDUUERBLNU-SFHVURJKSA-N 443.573 2.285 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286398915 TUGUILORGUQTBD-UYAOXDASSA-N 444.557 2.144 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)Nc1ccccc1 1286400319 CBBCYEDHKCTKEH-DEOSSOPVSA-N 435.528 2.420 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1286443157 AKNYKXYWNVMFQP-UHFFFAOYSA-N 435.532 2.164 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC[C@H]2C)n1 1286470745 CDYUMJVQOJXRIO-SVFBPWRDSA-N 442.564 2.285 30 10 IEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)CCS(C)(=O)=O 1286500529 YHAIDDFYCACHRL-UHFFFAOYSA-N 429.571 2.341 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286503532 GWONXCVYHCRMFC-UHFFFAOYSA-N 439.589 2.433 30 10 IEEE C=C(Br)Cn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286547569 IFSBSZYTMQCXMR-QAPCUYQASA-N 428.375 2.369 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286548602 UCYLJRWPXMYKPV-FHWLQOOXSA-N 439.626 2.491 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1286639109 XUYZYLCHEKKILP-NFBKMPQASA-N 432.613 2.113 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286710384 VWBFOXSOLYVUBL-QGZVFWFLSA-N 446.502 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCC2)C1 1286780310 SRPJRXXIVZUEGG-UHFFFAOYSA-N 449.353 2.108 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3NC(=O)OC(C)(C)C)CC2)c1C#N 1296471915 KUNBIGSYNFEQRY-DKKFBQAASA-N 442.564 2.188 30 10 IEEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1297860048 HESTUCIVMRZRQG-ROUUACIJSA-N 448.618 2.476 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1SC 1299868091 OKLJZWJGXXQAQJ-MDZRGWNJSA-N 439.603 2.311 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCOCC1 1300275916 CFQHPLGCJXLKAB-QGZVFWFLSA-N 443.548 2.151 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnccc1OC 1300590723 FRTPTUSHCHTAHM-UHFFFAOYSA-N 434.525 2.184 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300596503 SKDFECDAHHDGJC-NRFANRHFSA-N 438.576 2.258 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1300630919 JQLKFIGZCYYAQB-AZUAARDMSA-N 429.590 2.160 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1300710748 JZAOHVWXGPLQGR-SRYPRDQNSA-N 431.581 2.105 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1300849328 OJKNZSQVPIGMQU-CZUORRHYSA-N 447.424 2.422 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccccc1 1301007058 BBNJZGJGOPJMSY-FQEVSTJZSA-N 438.576 2.490 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1301817950 SNZJISBDDOKGGJ-LJQANCHMSA-N 435.532 2.375 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 1307942405 MDYZSCGNUQRGIQ-MOPGFXCFSA-N 433.597 2.200 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OC)ccc1Br 1309655754 YYUCZAUDTYWWFO-UHFFFAOYSA-N 446.319 2.201 30 10 IEEE COCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1316264084 OVCGBCFQYDEOBM-CRAIPNDOSA-N 435.912 2.463 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCSCC1 1316293352 PFNGMKDWRFTNJH-BBTUJRGHSA-N 434.610 2.181 30 10 IEEE C=CCO[C@H]1CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCC)C1 1337648141 COLPUZCLPCYYHH-SFHVURJKSA-N 448.589 2.244 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnc2C)C1=O 1350361480 CDWGUOFXDYJITF-UHFFFAOYSA-N 435.362 2.115 30 10 IEEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(C)(C)c3ccc(C#N)cc3)c2)CC1 1351359688 SILDOJICHDQEFG-UHFFFAOYSA-N 426.542 2.411 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1358920761 HJQWTAKMWHJNRO-ROUUACIJSA-N 427.553 2.337 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358923751 ZSPYISLADITWLD-GOSISDBHSA-N 431.544 2.019 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCN1CC 1358976703 NSTICZADWKWZGN-IBGZPJMESA-N 443.555 2.139 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1359008819 ATMXLJMAAHGSGQ-IRXDYDNUSA-N 432.546 2.116 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1 1359100148 XZBVZIJXWRQDTR-XHSDSOJGSA-N 430.521 2.397 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359146130 OAOFOKMVQSZEMJ-UHFFFAOYSA-N 433.303 2.333 30 10 IEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 1359195953 UZKYZRGSFSYQIR-AZUAARDMSA-N 436.560 2.427 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359201313 JKUUBMCIRGXXRJ-KRWDZBQOSA-N 432.536 2.412 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)n1 1436120692 NHGNQIUDJWGBKV-KRWDZBQOSA-N 445.317 2.380 30 10 IEEE C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(C)(C)C 1437804951 NUFUFRXGUXTJRM-UHFFFAOYSA-N 425.526 2.105 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@@H]1C(F)(F)F 1460752444 SZKFZUKFMLNSAI-JSGCOSHPSA-N 440.426 2.442 30 10 IEEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1461396417 NGLKLEBEJVEIMV-FHLIZLRMSA-N 440.500 2.484 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 1472001960 KXDCNMYITMLANR-GFCCVEGCSA-N 427.320 2.316 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCS(=O)(=O)CC2CC2)c1 1507548316 QZGHIUPKTHMVST-UHFFFAOYSA-N 443.573 2.283 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507554120 LKZHAMZCTOQECG-GOSISDBHSA-N 437.548 2.422 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2)CC1 1507721206 ZOYWEATZVGHAQC-XMMPIXPASA-N 439.560 2.131 30 10 IEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(C)C)CC1 1507727107 GUEIHEZLHARLAW-UHFFFAOYSA-N 449.647 2.444 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)[C@H](C)CC)CC1 1507729896 KRYUYJPDJLJPMT-DENIHFKCSA-N 438.576 2.276 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1)C1CC1 1507992533 FKYWZPRRHLOVAK-MRXNPFEDSA-N 432.546 2.401 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1508095774 UERAPFWWQGMDGX-UHFFFAOYSA-N 432.569 2.416 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(F)(F)F)C1 1508116436 RTEFTBZGXZBUSM-OLZOCXBDSA-N 425.477 2.012 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(Nc2cccnn2)CC1 1508132015 TYTFEIFBLNSHBI-MRXNPFEDSA-N 433.582 2.263 30 10 IEEE CC(C)C(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508801981 JWQOWZWZGNHKFU-HXUWFJFHSA-N 427.597 2.350 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1509939943 PCQIHGPIMAYNRP-KPZWWZAWSA-N 434.342 2.263 30 10 IEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)s1 1513713709 BAQNRUNUVMWCIQ-CQSZACIVSA-N 439.545 2.496 30 10 IEEE CCN(C)C(=O)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1515313888 QZUPXVGVGSWXMY-HRCADAONSA-N 433.557 2.123 30 10 IEEE Cn1nccc1CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1517426353 NPLAPWCKNLHXBB-VHEBQXMUSA-N 438.536 2.005 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]1(C)CC1(Br)Br 1519190128 CWKSZFPZIKYPLH-YGRLFVJLSA-N 443.143 2.281 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1519290153 BYQJSHSJZUFPDT-WIYYLYMNSA-N 434.585 2.243 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@@H](C#N)C(C)(C)C)(C(=O)OC(C)(C)C)C1 1520630153 VSJMCHUKHYUCIC-QKKBWIMNSA-N 425.526 2.389 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1520669132 VUEOOIDIPBBGKO-GJZGRUSLSA-N 436.475 2.343 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CCCOCC1 1521422458 ALDXSRUAWFPGPT-ZZEZOPTASA-N 442.907 2.352 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3cc(C#N)ccn3)CC2)cc1 1522754427 IOXCJBPORHMCNY-UHFFFAOYSA-N 426.498 2.220 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C#N)c(F)cc1C 1537036970 WCCCAZMYIKFUSP-UHFFFAOYSA-N 433.461 2.288 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539133908 LTJXJQRIKKIFDF-OAQYLSRUSA-N 434.544 2.243 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1539141807 YNCCGEYERKUDLK-YKSBVNFPSA-N 445.608 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)CN2CCCCC2)CC1 1539484211 HHFKLFNHJXNMCJ-IBGZPJMESA-N 426.609 2.318 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1539518306 XMHMXVCJMAHDKI-APWZRJJASA-N 441.557 2.249 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1539819727 HLTCUIGRSVIKMG-FQEVSTJZSA-N 440.976 2.313 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)(C)C 1540054658 SADXAVAAUAMIAO-UHFFFAOYSA-N 448.593 2.122 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCOC1 1540187889 XOSRGZMIBQJHPK-QZTJIDSGSA-N 434.562 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2cc(F)cc(F)c2C1 1540908906 QZOXJGCPIGYSJH-UHFFFAOYSA-N 426.489 2.256 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C(C)(C)C)CCOC1 1541724770 XMSCXZGTXXRAGF-JOCHJYFZSA-N 432.569 2.221 30 10 IEEE C#CCN(C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1542211172 NKXYPGHHYGVFKA-IBGZPJMESA-N 446.569 2.171 30 10 IEEE C#CCN1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 1544078639 KDJXZDXIJBSSEW-KRWDZBQOSA-N 437.327 2.366 30 10 IEEE CCN(CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1547584986 GZADARVCLQVTQQ-INIZCTEOSA-N 429.525 2.269 30 10 IEEE CCOC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1547799202 GUYQKVBRJSBTSC-UHFFFAOYSA-N 441.517 2.425 30 10 IEEE C#C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1557240732 UQDMZKQBNFMVHP-KRWDZBQOSA-N 432.542 2.120 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1F 1557869414 WRLGVGSLENJDON-ZFWWWQNUSA-N 441.525 2.418 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)CC2)cn1 1564562204 DTFKMAWJNKGOEY-QHCPKHFHSA-N 434.544 2.076 30 10 IEEE CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1c(F)cccc1F 1565793061 WBWZADHMAUFTEQ-QGZVFWFLSA-N 425.432 2.434 30 10 IEEE C#C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 1569674120 VFVYTNZFENXXCY-ACJLOTCBSA-N 446.326 2.478 30 10 IEEE C#CC[C@@H](NC(=O)c1nnn(Cc2cccc(Br)c2)c1CCC)C(=O)OC 1570221365 LPNWUMGBGGRXCP-OAHLLOKOSA-N 433.306 2.336 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 1570842621 OBFMKMHMULRYJW-KGLIPLIRSA-N 434.459 2.491 30 10 IEEE Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585660631 SGGLSBLFZKYPCE-VBKZILBWSA-N 447.513 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)NCC)cc1 1587621208 PKFRJIIFVPNYLX-OAHLLOKOSA-N 434.500 2.262 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)c(OC)c2)CC1 1588864336 CKJPXHQIMQYHRB-UHFFFAOYSA-N 433.560 2.260 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCNC(=O)C2CCC2)CC1 1588907714 DVQCBCNKGNMLGF-UHFFFAOYSA-N 448.571 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)C(C)C)CC1 1588908755 WGHSRXIIXBDHTH-XMMPIXPASA-N 439.560 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(C)coc2C)CC1 1588962321 ZIZJGOHCUPNRNZ-UHFFFAOYSA-N 449.559 2.364 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1589068475 CAJFQJXYZPWHKF-ZACQAIPSSA-N 435.594 2.498 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1593763465 LGJXNHBJHMSBCU-SFHVURJKSA-N 427.553 2.111 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1594192519 KCORXBKQBTXLER-SOLBZPMBSA-N 425.599 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCC(=O)NC 1595497211 UBERCUIXXJUAKA-HNNXBMFYSA-N 444.605 2.396 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1595561819 CQCJYQJJPKFHKT-UHFFFAOYSA-N 436.560 2.274 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1595577407 RNKCNZUDXUHZNL-RBUKOAKNSA-N 425.533 2.331 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1595723186 SQNJBMAVVFIFFJ-BHDDXSALSA-N 446.640 2.227 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595901602 ZQBQKSXPAGSYTG-INIZCTEOSA-N 445.545 2.426 30 10 IEEE Cn1ncc(Br)c1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1596638925 FRJIGGBZLQASQL-NSHDSACASA-N 436.697 2.377 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1597705949 WKQMCUDWYWLFEE-NRFANRHFSA-N 439.537 2.445 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 1598251288 LNSCLHRNKYBJCI-MRXNPFEDSA-N 430.505 2.401 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN3CCN(c4ccc(C#N)nc4)CC3)C2)C1 1620559576 XDZQPGKSPPACBQ-NZQKXSOJSA-N 427.549 2.491 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 1627264313 KQVMQHSMMJEBIC-UHFFFAOYSA-N 433.509 2.497 30 10 IEEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC2CCN(CC#N)CC2)c1 1629081663 CLOLLPIPVHZLSX-HXUWFJFHSA-N 430.549 2.483 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C1 1632208716 RZLZPJFVGXREHS-IBGZPJMESA-N 439.313 2.457 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1633175318 AGZLFMQMEIJVOK-CGTJXYLNSA-N 444.391 2.486 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)OC)c3ccccc32)s1 1633404934 RIYODNPULIXHBH-SJORKVTESA-N 434.539 2.273 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1 1637777244 LJVIFIRXJXWOBT-NRFANRHFSA-N 448.491 2.462 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 1638024622 YSVRFZAMQRATQA-QGZVFWFLSA-N 435.546 2.116 30 10 IEEE COc1cc(C(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)ccc1OC(F)F 1639271794 ZUIMUPFZQKMGSM-UHFFFAOYSA-N 425.338 2.493 30 10 IEEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nc2ccccc2c1=O 1656039952 GVCUBYWNPXSLEN-UHFFFAOYSA-N 442.463 2.154 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1669380139 NJVOICRWBHYJDO-QGZVFWFLSA-N 430.553 2.043 30 10 IEEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)c1N 1669657111 FWPCPNYLUDZNEL-UHFFFAOYSA-N 437.909 2.193 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(O)(CC)CC)c1 1689871907 ISDKTFDELSVGEK-GOSISDBHSA-N 425.533 2.389 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689938216 DUSWKALPXBYQMO-LJQANCHMSA-N 445.589 2.405 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689979812 HVBOXQYJBIEHQS-ROUUACIJSA-N 440.573 2.468 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690007760 INXNGEFZOWZUJE-UHFFFAOYSA-N 434.500 2.174 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691562219 YZXWYUDUQYCYKA-WMZHIEFXSA-N 439.564 2.172 30 10 IEEE CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691884808 INVQRQOPXFREDL-VZCXRCSSSA-N 443.596 2.486 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1694517923 GEDKMXHQPZBJEI-YADHBBJMSA-N 438.576 2.473 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1697775392 DJCAONKFDWPHET-SFHVURJKSA-N 438.463 2.357 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1705509008 AWQXZDFBUBXXOK-SFHVURJKSA-N 431.562 2.224 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705523058 RBFNIOUQNKPHDF-KRWDZBQOSA-N 430.553 2.373 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705559781 BJKAXPHQBLYSOF-FXAWDEMLSA-N 436.965 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1705581366 ZWPQENSKOYBUHY-QFIPXVFZSA-N 441.539 2.212 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCN1C1CC1 1705588784 DVWYTUSAZJXVHO-HXUWFJFHSA-N 431.544 2.405 30 10 IEEE C#CCN(CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705610489 QHQHZMCQMHUZJW-RBUKOAKNSA-N 428.562 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(C)C)CC1 1705645659 ZREJSRXDYRDHSR-HSZRJFAPSA-N 431.581 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)O)CC1 1705646189 AUULISLREGXEJD-UHFFFAOYSA-N 447.486 2.283 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC2CCOCC2)CC1 1705650829 ZNEPBHSUWADOLI-UHFFFAOYSA-N 436.560 2.046 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1 1705652275 ULNWDBHWIXXUCJ-UHFFFAOYSA-N 430.553 2.248 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705703425 TXXPJYJCCZHUBP-SBHAEUEKSA-N 431.581 2.285 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1705725391 XPVZKJZBNMNCIX-SFHVURJKSA-N 433.578 2.471 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705829848 DFROWCWSHAVCMX-UHFFFAOYSA-N 427.615 2.320 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(C)C)C1 1705937024 FTDVCUQHJYDCHK-KRWDZBQOSA-N 439.607 2.096 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705948238 MJDHXTMUEJAFNJ-HXUWFJFHSA-N 446.602 2.048 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOCC2(C)C)CCOC1 1706069279 ZTAMGWBZBZGVGR-AVRDEDQJSA-N 434.585 2.025 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722454938 PYJWCOBOZRTMMU-MRXNPFEDSA-N 441.557 2.140 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(COC)c2)CC1 1722559990 NSLUFEJESLQSDW-HNNXBMFYSA-N 437.541 2.379 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1)C1CC1 1722650899 NTCZXDGWSRMAFK-AWEZNQCLSA-N 437.953 2.462 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSCC1 1722725754 RYWJYTHHVAOPKB-UHFFFAOYSA-N 449.602 2.301 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1728324869 HHWYLYIRKYWQAW-GOSISDBHSA-N 441.513 2.383 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1728707555 PMFAEPSUSZQWKM-KSZLIROESA-N 434.541 2.062 30 10 IEEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccsc2)C1 1729597822 HLJROKJAINULAR-JOCHJYFZSA-N 438.557 2.493 30 10 IEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1729746002 HOQWNAQARWSRBQ-GOSISDBHSA-N 446.577 2.150 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1730418422 HJRXUTINSLMJNC-IBGZPJMESA-N 440.548 2.173 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCCC1=O 1740612993 PMFJMVWLQGNMKW-UHFFFAOYSA-N 428.562 2.132 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1NC(=O)CC1(C)C 1740647543 VQILJDJLHOVSLV-MRXNPFEDSA-N 443.349 2.413 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCc1ccc(OC)c(OC)c1 1740653159 BYORRQVRVVEGGF-LJQANCHMSA-N 435.528 2.342 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccc(C)cc1 1740657916 CEOZBHMRTBHMAI-UHFFFAOYSA-N 443.555 2.341 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1740671747 NQFOKBJVEYNGDP-VQTJNVASSA-N 429.590 2.251 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1740792877 MLHSISDMUGKWKQ-YESZJQIVSA-N 448.568 2.171 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740808946 DBQWPBCPASAHAQ-INIZCTEOSA-N 436.969 2.405 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1747548281 HWGIVKQTJZUBJE-VFNWGFHPSA-N 438.467 2.263 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1748817508 LOETVRRPCXKBHJ-INIZCTEOSA-N 431.562 2.018 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1748888523 YCPLCENUQJNTFG-MSOLQXFVSA-N 442.564 2.195 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(C3CC3)C2)CC1 1749014056 DDRMJNISQZBDGP-SFHVURJKSA-N 426.609 2.317 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749047320 VALYOXVQCIQMTB-CRAIPNDOSA-N 429.521 2.077 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)CC1 1749343004 VDSWENFNJGZWPF-IBGZPJMESA-N 447.561 2.132 30 10 IEEE C=CCCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1749439614 FATYMBJHPJQTJY-REWPJTCUSA-N 433.597 2.445 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1749599615 HTYGBYSJYXPOEB-WIYYLYMNSA-N 443.548 2.150 30 10 IEEE CC(C)(C)[C@@]1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750122128 VIZRILCFLKKNFX-LJSVLAKTSA-N 442.564 2.398 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1751093784 XJDZLAGINJLSHZ-BHIYHBOVSA-N 443.577 2.283 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(=O)C(C)C)CC1 1760152673 VCAUWCMZNZXELL-UHFFFAOYSA-N 426.521 2.114 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760183353 AVNNXSBAXHRRTD-JKSUJKDBSA-N 435.981 2.175 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ncccc1F 1760195486 COBDBNIKLFOJEF-QFIPXVFZSA-N 427.480 2.005 30 10 IEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(N)=O)CC1 1760274412 NVFHLJHOYUFYHE-UHFFFAOYSA-N 435.557 2.403 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OC)C1 1760355305 FEYLDFVLKWTSPL-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC2CCOCC2)CC1 1760389006 ADTRNALTMCPAJF-IBGZPJMESA-N 438.594 2.170 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1 1760453701 FTYISSNHZOOHHW-UHFFFAOYSA-N 433.940 2.414 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1760484541 CNVAQRKGDWHYKV-SFHVURJKSA-N 437.541 2.353 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1760501498 SHQVZZBYQZBZTB-SFHVURJKSA-N 449.577 2.036 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1)OC 1762426417 XLTGQMSMWVXRCU-LJQANCHMSA-N 448.531 2.270 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1766861813 KOZAFNFPVZPWBC-UHFFFAOYSA-N 438.532 2.417 30 10 IEEE CCOCc1nnc(N2CCCC[C@@H](SCC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767904440 OGDDMQBVFIBMRF-ZBBYCGENSA-N 448.593 2.453 30 10 IEEE COc1cc(C)ccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1768254744 JPNMLNRICLOWAR-XXBNENTESA-N 441.532 2.413 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1768908474 JUFSPURQOWMKAS-IBGZPJMESA-N 445.545 2.292 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1768931515 GAXCUGSQDUAUSY-UHFFFAOYSA-N 447.591 2.176 30 10 IEEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCCC1 1769762038 FIQIDPAPKUKCMH-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1771080638 HYJYAVDKVSJMHH-UHFFFAOYSA-N 442.955 2.418 30 10 IEEE CN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1cccc(C(=O)O)c1 1772735965 GRAJFCVPNODDNB-PNYSWUDBSA-N 437.433 2.420 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3nc(C)cc(C)c3C#N)CC2)cc1 1851885804 PVHWSLFAZCAKSG-UHFFFAOYSA-N 442.541 2.042 30 10 IEEE CC[N+]1(C)CCC(N(C(=O)c2cnc(C#N)nc2)C2CCN(CC(F)(F)F)CC2)CC1 1853597655 HILCFUCONYXQPY-UHFFFAOYSA-N 439.506 2.446 30 10 IEEE CS(=O)(=O)[C@@H]1CCN([C@H]2CCCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1854016446 FLNNGVDUPIYYME-QAPCUYQASA-N 437.949 2.046 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2CCCO2)c2ccccc21 1854251395 PSGVNHDLUGTDNB-GOSISDBHSA-N 425.466 2.196 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CCN([C@@H](C)CCC#N)[C@H](C)C3=O)nc12 1856282968 PMOJFWXPPJCVMB-LSDHHAIUSA-N 429.546 2.493 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)c3cc(Cl)ccn3)C2)C1 1857477385 JXBIKUPLLGMHKN-CQSZACIVSA-N 425.876 2.144 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc2c(c1)OCCO2 1862746038 XFCPRLCEGJEJTQ-CWTRNNRKSA-N 440.408 2.325 30 10 IEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CSc2nccn2C)cc1=O 1870245810 FUSWQPDAFUYAFG-UHFFFAOYSA-N 446.554 2.135 30 10 IEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)c(=O)cc1CN(C)C 1870587439 QVHKRZSXZJQTPD-UHFFFAOYSA-N 434.518 2.055 30 10 IEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(C(=O)O)cc1 1874289809 XWYHXYOEWXKWBE-LSHDLFTRSA-N 441.469 2.024 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)cc1 1891856350 GDUVZBDOHGBZBH-QGZVFWFLSA-N 428.514 2.135 30 10 IEEE CN(CCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 1900467780 USFNPAKMDRHGMC-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C#CCCN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2059533548 NIPVTUWPNGWDNC-RUZDIDTESA-N 440.588 2.323 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060622171 WTTQTSKLUMTAGZ-DMRKSPOLSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)CC1CC1 2060626015 REKZOOJJYDOZDX-UHFFFAOYSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)=C[C@H]1O 2067765130 UUVDNUKPJHCLHD-DMRKSPOLSA-N 434.342 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248443292 YOOZEGHXUMLVDF-UHFFFAOYSA-N 439.343 2.288 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC2(CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2255597533 JRRLBFAMQPYBBQ-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)N(C)Cc1ccccc1 2255635388 GVIFZLSPYLRDLF-INIZCTEOSA-N 426.370 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255692668 COZXKHMNVKFMFU-QGZVFWFLSA-N 429.326 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@@H]21 2255696479 USWGFZZRVYVXFV-IRXDYDNUSA-N 429.326 2.215 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830538 HPHADESWCMDIDA-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844425 WSQWYTAIDOBRMH-HNNXBMFYSA-N 434.346 2.055 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255855902 UQNIETZPFNEZOV-UKPHBRMFSA-N 431.342 2.299 30 10 IEEE Cc1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2255869140 XMGWCHGJTUQCAM-UHFFFAOYSA-N 431.342 2.382 30 10 IEEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256678325 CEMFTCKMXPOHIC-CJNGLKHVSA-N 435.330 2.248 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258873077 BMIKDNNBWUHWGB-HIFRSBDPSA-N 434.346 2.227 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267014446 YWBCGDHBFFUIAO-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267191890 JJAYZPSCNZPBGW-PXNSSMCTSA-N 436.365 2.416 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 2267524854 WEHKHINJQTTZIP-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)nn1 2268639393 OKZSIFJDXYEHBP-GOEBONIOSA-N 447.345 2.217 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646125 XJNSUACZGRYLMF-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268717795 ZBKLILGDYAWICM-LSDHHAIUSA-N 447.341 2.392 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271387131 MIFBOKMZAYPVCV-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2272636788 OWYVUIQHALADTM-WAIKUNEKSA-N 443.353 2.368 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC4(C3)OCCO4)c(Cl)c2)OC1(C)C 2282832347 NTGJKBZNPJZDGB-UHFFFAOYSA-N 443.758 2.071 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)C=C2NCCc3cc4c(cc32)OCCCO4)c1 2296331046 FMSNEYQGUCAPAV-UHFFFAOYSA-N 428.510 2.468 30 10 IEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2315696372 XVMGUYAMSZRMGJ-ZIAGYGMSSA-N 449.382 2.380 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329322561 MZZFKWCWSWSSFE-UHFFFAOYSA-N 442.457 2.068 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)N[C@H]3CCCC[C@@H]3C)cc2C1=O 9702369 WHUAJKFFRWYRQD-GUYCJALGSA-N 427.457 2.030 30 10 IEEE N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)O[C@@H](C(N)=O)c1ccc(F)cc1 10498278 IGJSCDUICCBROF-CQSZACIVSA-N 429.351 2.266 30 10 IEEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)cn1 59311811 UNTDCJAARIVOJN-UFWORHAWSA-N 427.494 2.156 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)cc1OC 102748308 LXTLCSAGVIJNRW-LAFOYAEKSA-N 428.489 2.027 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c(OC)c1 102755092 GBANWBKIGUJLBC-LCPUNJGISA-N 425.485 2.472 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(F)cc(Br)c2)c1 108569252 CVBUOEUNKRZMSJ-UHFFFAOYSA-N 425.279 2.430 30 10 IEEE COc1ccc(Cl)cc1N1C(=NC(=O)[C@@H]2CCCO2)S[C@@H]2CS(=O)(=O)C[C@H]21 254626488 KTIFXPMXSGDWAX-VHDGCEQUSA-N 430.935 2.129 30 10 IEEE COCCS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 428398738 KQMWNXSTLXNDPG-UHFFFAOYSA-N 428.919 2.110 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1S[C@H](C)CC#N 441221755 ALLGWILVBOKOFZ-JNRNKGNBSA-N 445.541 2.444 30 10 IEEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 477089803 RGGTXEZTBDOFAI-UHFFFAOYSA-N 436.493 2.018 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488939747 HWMGSQWBLPCZLM-UHFFFAOYSA-N 437.518 2.137 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(Cn4ccnc4)cc3)C2=O)cc1 504715802 LZUNCCHTTMIENO-NRFANRHFSA-N 442.479 2.324 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C#N 505643360 ZBQSQPPSBWLVFW-UHFFFAOYSA-N 445.548 2.321 30 10 IEEE N#Cc1cccc(N2CCN(CCCCCN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 545506118 KLDIRIZTYBHWHK-UHFFFAOYSA-N 444.587 2.334 30 10 IEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CCS1(=O)=O 550038034 MCOODJXIUMOIRI-GOSISDBHSA-N 429.546 2.399 30 10 IEEE CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1n1cccn1 555476697 YUUHGOSORQGGKL-BZUAXINKSA-N 425.308 2.214 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3ccccc3OC(F)(F)F)CC2)nc1 585695297 ZHOXRXANFFVMQW-UHFFFAOYSA-N 447.417 2.253 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)OC(=O)c3cccc(-n4cnnn4)c3)cc21 586322792 CIGSURJJVXJPTP-AWEZNQCLSA-N 433.424 2.002 30 10 IEEE N#Cc1cccc(C(=O)OC2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 586494769 QNVJBGNUZMPHTO-UHFFFAOYSA-N 431.448 2.439 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1C[C@@H]1CCCO1 590913972 FIKFHZFSMKOUQP-IBGZPJMESA-N 439.581 2.241 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 603797271 CJWNLFLXEVMBSY-IBGZPJMESA-N 431.517 2.231 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)c1 609756611 MDJLKXPEVRSFKM-GOSISDBHSA-N 442.541 2.286 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 610169166 FCEIKBXDUHXTRA-IAGOWNOFSA-N 431.464 2.473 30 10 IEEE CCN(CC)C(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 611839280 DYMHNJUPBXOIMH-UHFFFAOYSA-N 443.939 2.415 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@@H]1CCCO1 683734163 XQMFMYYKTMMERY-IBGZPJMESA-N 433.533 2.365 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2[N+](=O)[O-])C1 732153473 HUOYDYYFZGEQKX-FEMPNICKSA-N 441.488 2.333 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@]1(C)CCOC1 733075328 IZOQVXSBMBNWID-GCJKJVERSA-N 432.590 2.421 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCO2)C1=O 741449680 OZOKOOCFYASSGC-HKUYNNGSSA-N 443.573 2.127 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1 741824354 SUCFZMYYWXUULT-UHFFFAOYSA-N 426.454 2.329 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cc(OC)ccc3Cl)c2=O)cn1 743731618 WEKOVQUZJMNIJI-UHFFFAOYSA-N 425.901 2.194 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)COC(=O)c1n[nH]c2ccc(I)cc12 745476488 YKUTXBPODYUEIY-SNVBAGLBSA-N 440.241 2.332 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CCCC2)C1=O)NC1CC1 746697396 DKIVQGRVKINJSP-QGZVFWFLSA-N 432.521 2.485 30 10 IEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCO[C@H]1C(=O)O 757445186 ZLQCUJPYEJMSKV-BHIFYINESA-N 448.475 2.275 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)c4c(Br)cccc43)CC2)n1 760553794 XPCVTRGWGWMRPK-UHFFFAOYSA-N 426.274 2.025 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(-c2nccn2C)[nH]n1 772479130 AYOOUYOBHMJAGI-AWEZNQCLSA-N 441.517 2.046 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 788906954 QZBDBKRNSIGNMG-HUUCEWRRSA-N 430.357 2.404 30 10 IEEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 792746988 KHJCMZDXVZEIGX-PKOBYXMFSA-N 425.558 2.360 30 10 IEEE C[C@@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)n1cnc(C#N)n1 798354599 YEMLRGPIMREKEL-ZDUSSCGKSA-N 429.433 2.281 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 799650352 HDHXXGFIZOEHSR-DAWZGUTISA-N 435.569 2.379 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1ccnc(C(F)(F)F)c1 808528171 WOSIUFLARZGLPH-NSHDSACASA-N 441.387 2.065 30 10 IEEE COc1cc(OC)c(C=Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1Br 1084179702 QRCGTHKQLCEXPG-UHFFFAOYSA-N 441.307 2.389 30 10 IEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c1 1084277804 QYAFKWZHTXHEDG-CYBMUJFWSA-N 441.517 2.122 30 10 IEEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccc(F)cc1F 1084309825 YIAYPKFDIYKWER-UHFFFAOYSA-N 448.415 2.355 30 10 IEEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)NC2C3CC4CC(C3)CC2C4)n[nH]1 1084511044 LQCANYHWPYXVSB-UHFFFAOYSA-N 428.566 2.326 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)CC1 1128434414 XSWHACLPQKTTPC-NHCUHLMSSA-N 436.581 2.347 30 10 IEEE COC(OC)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1130352171 BOPRAABJXRLFNZ-AZUAARDMSA-N 436.468 2.240 30 10 IEEE C#CCN1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1136861913 QEPOKADLFQEYDA-UHFFFAOYSA-N 431.602 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3c(-c4cccnc4)ccnc23)[C@@H](C#N)C1 1137215527 ZWECUUBQTMWCSH-INIZCTEOSA-N 433.472 2.376 30 10 IEEE Cc1nc(SCC(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c(C#N)c(C)c1C 1142748739 GYQAPLCLDUEZCJ-UHFFFAOYSA-N 431.562 2.003 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCCc3ncn(C)c3Br)ccc2c1=O 1179247425 OPLGBVBYAJFGTD-UHFFFAOYSA-N 448.346 2.340 30 10 IEEE Cc1c(C(=O)NCC2(C#N)CCOCC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1180616689 HYJNGXBVTNGNJS-UHFFFAOYSA-N 432.525 2.209 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncc(Br)n2C1 1180641048 UIBVAWIBFHRCQL-QWHCGFSZSA-N 425.327 2.383 30 10 IEEE COc1cc([C@@H](C)NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1S(C)(=O)=O 1251613654 IBDJNXJJSPPTGX-PBHICJAKSA-N 444.513 2.289 30 10 IEEE N#CC1(CNC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCC1 1251994750 DIFGUQQDTYIJMY-UHFFFAOYSA-N 435.322 2.376 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1252570952 BZHDYGFIZYFZTK-CQSZACIVSA-N 434.331 2.320 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1252969826 ADDVWDJDBDFNJU-UKRRQHHQSA-N 426.505 2.282 30 10 IEEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CCCOC1 1264034281 CDZNVCOZZFZGOG-QGZVFWFLSA-N 432.329 2.147 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)CC1 1270235143 JQCCYWAFVQJETB-UHFFFAOYSA-N 444.532 2.391 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286387621 GYYCOKYMCXNMJK-LDBYXDLTSA-N 432.546 2.024 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1 1286426264 PQUKDYTYUYLIQG-PGRDOPGGSA-N 425.920 2.253 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286548478 OJILLGRZTFISJU-VNQPRFMTSA-N 426.359 2.195 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1286569444 PYJQGWKCVJYSRA-ICSRJNTNSA-N 438.536 2.375 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N2CCOCC2)CC1 1286663981 NWRYSINTAJJMKW-UHFFFAOYSA-N 425.533 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1286788110 QHMVHZJFJLTQRY-MRXNPFEDSA-N 430.940 2.064 30 10 IEEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1287393980 UDDOIWVHOAQEDC-UHFFFAOYSA-N 427.553 2.471 30 10 IEEE CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1289361096 AWWDIRUBDXCIOH-UHFFFAOYSA-N 428.304 2.331 30 10 IEEE Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)no1 1289381191 FBRDKZZYMLHKCM-VQTJNVASSA-N 438.488 2.202 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)C2=O)cc1 1297335820 RBOWVCNAZXCUJS-KRWDZBQOSA-N 436.424 2.159 30 10 IEEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1297547480 PPBGUOFNFBQXTN-UHFFFAOYSA-N 425.537 2.041 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1300501664 MUUKMUAVSJWHCO-GOSISDBHSA-N 440.525 2.168 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CC=CCC1 1300579504 SLFXGICKIGYECU-UHFFFAOYSA-N 427.512 2.319 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300988839 KKHOGMULUSSHIS-QUCCMNQESA-N 441.580 2.252 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnnn2C)CC1 1301069714 CYQCGFFDSFKTJI-UHFFFAOYSA-N 425.493 2.304 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301222882 IOLNDARDDBUICR-HOTGVXAUSA-N 437.591 2.489 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301485492 WHJKBYROJKZWJB-INIZCTEOSA-N 443.529 2.007 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(=C)CC1 1301502389 HAPCMPYVAIPWHU-QGZVFWFLSA-N 446.552 2.045 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1301515199 RBYVELQMVLQWJD-SFHVURJKSA-N 441.532 2.166 30 10 IEEE COCCOC1(Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1302124856 WBYKFBMCUMYEAR-KRWDZBQOSA-N 428.537 2.457 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(C)=O)nc1 1302271036 JROOOGKTPCGXHN-ICSRJNTNSA-N 439.520 2.144 30 10 IEEE C#CCN(Cc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 1307563519 NUSZFHYBDPDGPI-HNNXBMFYSA-N 431.514 2.413 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)CCCC(=O)N4)CC2)cn1 1309824391 IFIIOQXGNFBCPP-UHFFFAOYSA-N 445.932 2.392 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2COc3ccccc3O2)CCOC1 1314079365 ACKCCOLVPHQMGX-HYFFOGBASA-N 427.505 2.366 30 10 IEEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)C1 1320905096 MOGFTEMBDQAKNA-KRWDZBQOSA-N 428.576 2.135 30 10 IEEE CO[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccc(Br)s1 1349463362 JBJYDSCXWQTEQZ-LBPRGKRZSA-N 426.296 2.268 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1358930946 JYXUWAZPXBFVEK-OAQYLSRUSA-N 434.544 2.357 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1358936626 SLJCHKULJMOSMA-AOMKIAJQSA-N 430.553 2.465 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)N(C)C 1358941406 JADNBXIAIIGQDG-SFHVURJKSA-N 427.530 2.314 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358959791 PRTFZQPHEPMLRH-CQSZACIVSA-N 448.961 2.125 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCS(C)(=O)=O 1358987171 VHEIYTLHSPBVKX-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC(F)(F)C1 1359019398 UJHJEDGAPPMLQG-HOTGVXAUSA-N 447.552 2.190 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccc(N2CCOCC2)c1 1359026197 NSFMDMFEGMXIHQ-UHFFFAOYSA-N 446.555 2.235 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359034980 IFWPGJZXJDAXIQ-FCHUYYIVSA-N 428.625 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CC=CCC2)CC1 1359042184 VXHLCHZXWPZQMV-UHFFFAOYSA-N 448.571 2.181 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359081606 HTSJCKDJVJDTQA-UHFFFAOYSA-N 434.342 2.338 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC)c1ccccc1 1359140418 AJLFUEFBRSPXAK-UFYCRDLUSA-N 425.533 2.430 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N(C)C)CC1 1359173727 NAICZBTWRUFXIM-WBVHZDCISA-N 436.582 2.187 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1359291230 ISDGZJSASGACRT-QFBILLFUSA-N 440.548 2.315 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)Cc1cccs1 1359295461 BUGWARPKFUVENR-UHFFFAOYSA-N 449.544 2.311 30 10 IEEE N#C[C@@H]1CN(C(=O)CN2C(=O)C(F)(F)Oc3ccccc32)CCN1Cc1ccccc1 1360326730 HXQSIPLOEISBBP-QGZVFWFLSA-N 426.423 2.241 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1360333374 HXPCPSWXPQAPMD-QHCPKHFHSA-N 438.532 2.206 30 10 IEEE C=CCn1cc(C(=O)N[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)nn1 1360981114 ICFLAXOCSPLJFK-HXUWFJFHSA-N 426.498 2.396 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CC1 1461539733 CXHBBOREDIACGV-CYBMUJFWSA-N 443.460 2.369 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1462375433 GLGGTFZNXRENDU-RHSMWYFYSA-N 425.551 2.473 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c1 1464185623 AMFZAJCEWORAKC-UHFFFAOYSA-N 431.367 2.389 30 10 IEEE C#CCN(C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1466847586 CBXWJHDNHLUBGR-HZMBPMFUSA-N 437.371 2.169 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccccc2C#N)CC1 1470887875 GQUZMILNFOWUAL-KRWDZBQOSA-N 430.505 2.100 30 10 IEEE CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1471150000 HYDOBNUIJFVFFZ-HLAUDOPJSA-N 442.299 2.108 30 10 IEEE COc1ncc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1C#N 1471780982 GJPIKWNADVOIBI-HNNXBMFYSA-N 438.506 2.140 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1478832754 FURYHLKGLACAOV-AEFFLSMTSA-N 428.537 2.478 30 10 IEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CN(C)C2=O)cc(OC)c1OC 1504066455 NMTYKRZTSQWSPC-JLCFBVMHSA-N 442.520 2.188 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCN1C1CC1 1507657219 OWDWPFJQDIGUEF-LJQANCHMSA-N 436.585 2.359 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2scnc2C)CC1 1507740049 MZUCJKHVAWGNOL-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1507820796 NETAZTJQIJTQED-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507846550 PCUYGXXKUMVREQ-UHFFFAOYSA-N 438.511 2.112 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1508067135 JZSGFNBBGGZSOB-UYAOXDASSA-N 432.613 2.373 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508703965 FUXRIKPIYVLFAH-WJOKGBTCSA-N 439.545 2.355 30 10 IEEE CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1508788847 DOYYZVNDIMFEKC-INIZCTEOSA-N 426.521 2.426 30 10 IEEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@](C)(C#N)C2)n1 1517401064 ADYNRYWEKATWLT-GOSISDBHSA-N 444.341 2.353 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2(C#N)CCSCC2)CC1 1517720665 VNYBGDFAOKRICC-UHFFFAOYSA-N 443.978 2.218 30 10 IEEE COc1cc(I)c(C(=O)Nc2nn(C)c(C)c2C#N)cc1OC 1537542037 MQQRFSCDYRKVRT-UHFFFAOYSA-N 426.214 2.474 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539202439 IWECEHLJOCBOGQ-ROUUACIJSA-N 435.619 2.393 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539357756 PKODDOQLYQJAJL-OAQYLSRUSA-N 433.560 2.219 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1539538064 BEABWRQJOMPQPU-JBYIUTFZSA-N 444.605 2.405 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCCN1CCOCC1 1539541901 OQOONARLNOSDFZ-DHIUTWEWSA-N 431.581 2.035 30 10 IEEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539916972 PVIGEEGXEYXRCJ-UHFFFAOYSA-N 428.581 2.465 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@H]1NC(=O)CC1(C)C 1540189655 YHQBZHSVIYEHGP-GOSISDBHSA-N 440.548 2.143 30 10 IEEE C#CCN(CC(=O)NCCCN1CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1540512326 TXRPYXWVZVMZFQ-UHFFFAOYSA-N 428.577 2.181 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 1540876216 KRMIQFHSVMBEOI-ULQDDVLXSA-N 448.568 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)CCOC 1540899023 BFCALMZYQSBXEO-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1543137578 MFXZEZDMCAMEBN-MRXNPFEDSA-N 447.293 2.271 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3nc(CO)[nH]c3c2)cc1 1544462822 KPGRLCWCHXPVJA-LYBHJNIJSA-N 427.486 2.120 30 10 IEEE CCOCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548380336 WYRXYQZUMSOVMI-KRWDZBQOSA-N 438.450 2.286 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O 1554150117 HVGDFKKNCDLXHW-UHFFFAOYSA-N 449.540 2.069 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1555946240 XLZPRCXMHUVOQZ-UZLLHMFJSA-N 445.886 2.314 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 1557498425 NKVDJPCCUWHRCK-GOSISDBHSA-N 447.557 2.260 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n(Cc2ccccc2)c1C 1560122911 KNFBGKOYMVKBRR-UXHICEINSA-N 440.569 2.330 30 10 IEEE Cn1nnc2c1CC[C@@H](NC(=O)[C@@H]1c3ccc(C#N)cc3CCN1C(=O)OC(C)(C)C)C2 1570816567 BGCFPRXVRSZQFI-UZLBHIALSA-N 436.516 2.195 30 10 IEEE Cc1c(C(=O)N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)cnn1CCC#N 1585232599 PINXFVICZHPAAB-QFIPXVFZSA-N 439.520 2.363 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1587808522 SVSFGXJHBCWXCJ-UYAOXDASSA-N 444.605 2.012 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1587861134 HACRSGDUXIDDJU-PKOBYXMFSA-N 432.521 2.311 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)c1ccc(OC)cc1 1588138278 BNIHMGHNSDCVQE-UYAOXDASSA-N 440.569 2.455 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1588673055 LLSGDEQSIGALKO-QZTJIDSGSA-N 437.544 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2=CCCOC2)CC1 1588961540 CYHVAJQCGPZZRF-UHFFFAOYSA-N 449.555 2.478 30 10 IEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1589427634 TUDPHVDSUQJQHZ-MAUKXSAKSA-N 447.381 2.329 30 10 IEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1)c1ccccc1 1593789076 GYIOTFYMOOFJDN-QGZVFWFLSA-N 437.504 2.151 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1595866392 JBNUGHWMAXDVSV-GOSISDBHSA-N 430.578 2.030 30 10 IEEE Cc1ncsc1CN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1611865279 ZXEXNXKSEVRWJA-HTXNQAPBSA-N 438.517 2.201 30 10 IEEE CCc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613965037 YKFVZXZYVAMXNH-DQRAZIAOSA-N 436.516 2.457 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCSCCO)C[C@H]1C)C2=O 1615246205 RXVPOSUKGVDNHH-BIBXISHDSA-N 441.933 2.479 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)cc1 1616903284 FCCKYAURVIWFIB-LJQANCHMSA-N 429.498 2.465 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCSC 1616922663 IYCVTOHDJXZBSA-MRXNPFEDSA-N 430.582 2.335 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1617241341 MHEASOBJRAGVTL-QPHCHLROSA-N 443.573 2.360 30 10 IEEE CC(C)(NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1cccc(C#N)c1 1620413581 BBNDXBPRASQOKQ-XMMPIXPASA-N 433.512 2.357 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1623573767 TUPJQEKHFRVYRW-KTKRTIGZSA-N 431.514 2.262 30 10 IEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1623848340 SNBAHPIFRLSLMH-LJQANCHMSA-N 429.496 2.182 30 10 IEEE O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N[C@H]1CCN(O)C1=O 1624906139 BGDDIZKDYAMAEN-INIZCTEOSA-N 445.451 2.411 30 10 IEEE CCN(Cc1ccccc1NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1625997195 SMYHONUDSISGAV-UHFFFAOYSA-N 427.461 2.216 30 10 IEEE COc1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c(C(N)=O)cc1OC 1631311493 TVGVDUGFEYETIC-UHFFFAOYSA-N 431.489 2.392 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C)(c2nnc(C3CCOCC3)o2)C1 1633368380 CHFVRSRHYOJCQP-INIZCTEOSA-N 432.521 2.370 30 10 IEEE C=C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1633695736 FBHGRNJVPMNGSI-GFCCVEGCSA-N 440.871 2.423 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCCC(C)(C)[C@H]3C#N)CS(=O)(=O)[C@@H]2C1 1634844786 HUVXJUBZLNJTIS-QBPKDAKJSA-N 439.578 2.197 30 10 IEEE C#CCN1CCN(C(=O)[C@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)CC1 1635017265 RXKLSXCNGRARCQ-GOSISDBHSA-N 429.517 2.147 30 10 IEEE C=CC1(CC(=O)N2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)CN(C(=O)OC(C)(C)C)C1 1639899413 DOLFBFUNPXCSJW-ZQHDKMAOSA-N 436.578 2.348 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCOc3cncc(Cl)c3)C2=O)cc1 1640524213 MRZUFPNJEUZDBQ-KRWDZBQOSA-N 427.848 2.007 30 10 IEEE N#C[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccccc2I)cc1 1640691375 MBCZIQAKGJWTNT-CQSZACIVSA-N 449.248 2.087 30 10 IEEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COc2c(C#N)cccc2C(C)=O)CC1 1641371699 MQBNYRQRFURIEG-UHFFFAOYSA-N 448.523 2.485 30 10 IEEE CNC(=O)NC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CC1 1654732442 BZYCKWMDJPQYJB-UHFFFAOYSA-N 438.532 2.306 30 10 IEEE CN(C)[S@](C)(=O)=NC(=O)CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655766454 CYLHZBDYSVCJOQ-IATLZHQJSA-N 431.349 2.190 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccs2)ccc1Br 1661899595 HYVNHKDDCPZOQB-AWEZNQCLSA-N 426.317 2.244 30 10 IEEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1667569845 GKOHCJRGKKKZRF-OAHLLOKOSA-N 426.539 2.181 30 10 IEEE C#CCN(C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)[C@@H]1CCS(=O)(=O)C1 1669929978 UILWNOGCAWJGEC-CYBMUJFWSA-N 443.497 2.045 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1671140611 TVEUHNHSJYNLIA-FQEVSTJZSA-N 434.558 2.215 30 10 IEEE CC#CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1672485448 YOCOKXNVPCSWER-UHFFFAOYSA-N 447.605 2.100 30 10 IEEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)Nc1ccc(Br)c(C#N)n1 1679661224 GXTNKLKPZWNPQO-AWEZNQCLSA-N 444.337 2.443 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)CC1 1684973352 QALWMFCMNQAVBY-UHFFFAOYSA-N 436.535 2.481 30 10 IEEE C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1cccc(C#N)c1 1687594888 NJWYOPRJJRAUNJ-RHSMWYFYSA-N 427.505 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC 1689839730 LFZDGUFBUKKVMT-MRXNPFEDSA-N 429.488 2.221 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1689887016 MUZUQZFCBVTXSV-MRXNPFEDSA-N 447.561 2.213 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(F)cc1 1689999692 GUMABEVWBNRMGI-INIZCTEOSA-N 431.537 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(N(C)C)CCSC1 1690010100 VYUDZSYHWQTAGY-HSZRJFAPSA-N 437.569 2.226 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1690015232 FLBDULWBGFEGCU-KRWDZBQOSA-N 442.564 2.386 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690128890 LHHWFTLLELOALF-UHFFFAOYSA-N 448.596 2.484 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)N(C)C2CC2)CC1 1690133865 WSSPGHHSTWHFSE-IBGZPJMESA-N 438.576 2.104 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690330392 FTXVLJLZEGCIDE-LSDHHAIUSA-N 439.948 2.329 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1nnn(C)n1 1690555738 CACVPFKJYOJDRJ-UHFFFAOYSA-N 431.504 2.422 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1691002018 UAPGODOSCWIPBF-NXEZZACHSA-N 444.849 2.279 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1695597218 SYELXZMHRJVQPC-VQTJNVASSA-N 439.539 2.338 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CC=CCC1 1696849711 KQRIZMITUCQPAE-MRXNPFEDSA-N 446.353 2.037 30 10 IEEE CN1C[C@](C)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1696885707 OOEYDVUOOOVONM-UXHICEINSA-N 434.422 2.467 30 10 IEEE CS(=O)(=O)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](F)(C#N)C1 1698303905 BERSTZPICCZXPB-SFHVURJKSA-N 443.451 2.423 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCCCCCO)cc1 1698489057 LMTYKAFPTWPBMI-MOPGFXCFSA-N 441.488 2.396 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC2(O)CC2)cc1 1698489560 SIEULOMLCKWDKA-UHFFFAOYSA-N 437.422 2.147 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1705511544 XNUFLNWSFOTJKU-UHFFFAOYSA-N 427.505 2.101 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705522434 FPRZNADZMWBRSG-ILWGZMRPSA-N 442.608 2.312 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCn2nc(C)nc2C1 1705655926 RIYJXJJYNGKVHG-UHFFFAOYSA-N 439.545 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705704719 YQJGAVPCHJZUHJ-ICSRJNTNSA-N 435.532 2.395 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705834308 IDGPKOPHMRBRPM-HOTGVXAUSA-N 437.541 2.461 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1705913817 YSCYTXRTXSUEDK-LJQANCHMSA-N 449.577 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)CC[C@H]2C)nnc1[C@]1(OCC)CCOC1 1705938542 BOVIIMPSQGFWET-HLIPFELVSA-N 426.583 2.156 30 10 IEEE Cc1nc(Cc2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C#N)o2)cs1 1707749597 KRLWTJCADYBMNB-UHFFFAOYSA-N 446.558 2.160 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@@H](C(F)(F)F)O1 1708183082 WMUBBQAEEITBML-CJNGLKHVSA-N 447.425 2.050 30 10 IEEE CCC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1709471206 CMCQQAKDZSDPIV-KKSFZXQISA-N 431.562 2.239 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722275595 AKXLANIHPBBJRO-AOMKIAJQSA-N 433.553 2.255 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722321902 DCPXJOYRHIXULH-NHCUHLMSSA-N 442.608 2.456 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2ccccc2C1 1722370730 NTYDERWCANZCOS-UHFFFAOYSA-N 439.523 2.057 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSc2ccccc21 1722382006 DAHDUWZQWPDBJE-DLBZAZTESA-N 426.567 2.143 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCC(F)(F)C1 1722429909 XJUVNXIPVAFGCQ-DLBZAZTESA-N 444.548 2.482 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1722449333 UOAAXNBRNHUZNX-IBGZPJMESA-N 435.532 2.020 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722538168 UWLPKFBHVWYOGJ-INIZCTEOSA-N 445.486 2.270 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1722563704 VZDIKUKNLYKYKW-UHFFFAOYSA-N 441.561 2.134 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722628726 ZJQTVCFURQWPDM-VQTJNVASSA-N 433.597 2.454 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1722685208 XTQKLODOUMJLKJ-MRXNPFEDSA-N 427.505 2.046 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CC)C1 1722709522 RSMFEVWFYFWUSL-QZTJIDSGSA-N 425.537 2.191 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1722731680 BQXDDRQYDJQXQV-OAHLLOKOSA-N 435.619 2.411 30 10 IEEE CC(C)Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1/N=CC=CC1=O 1723271661 INSIYEBTARRTKW-HNENSFHCSA-N 446.943 2.026 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CC[C@H](CO)O1 1723348701 QETPXVIUQRRIOK-PWRODBHTSA-N 425.533 2.466 30 10 IEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1726821416 CSQCITALXZAKGC-VOIUYBSRSA-N 447.543 2.270 30 10 IEEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1727849223 QQFYUCSCWYPUHU-AFCDSYGPSA-N 443.577 2.053 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1730458446 CELPZJKOSAVRKI-INIZCTEOSA-N 426.521 2.116 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1730626616 SPFSANZGFGOUTM-VLVHOKLOSA-N 425.533 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CSCCS1 1740542124 OJHWMSUEIFBVSY-WMLDXEAASA-N 426.575 2.227 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1COCCO1 1740629917 BEFDBZGWSGSGHD-INIZCTEOSA-N 445.317 2.204 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC(F)(F)C1 1740631030 NXUZQWQGKDPFBD-HZPDHXFCSA-N 427.521 2.177 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740886508 JPSRCKRUCQQHCC-UHFFFAOYSA-N 436.516 2.412 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740900284 OQABBXAYNRHQFI-QGZVFWFLSA-N 431.541 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OCC2CC2)C1 1740993221 ZSSVFUZBMGFBHH-RBUKOAKNSA-N 438.594 2.168 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC1(C)C 1741220001 YJFLGEYOUOUMFP-IXDOHACOSA-N 446.552 2.361 30 10 IEEE CC(C)C(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1741295506 GRBSMMHNCWYWGX-UWJYYQICSA-N 428.468 2.005 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1Cc1ccc(C#N)o1 1741920602 HOOWOOYXRBVACF-HUUCEWRRSA-N 432.550 2.418 30 10 IEEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1745381922 UOJOANDLEAFJSU-IBGZPJMESA-N 446.577 2.309 30 10 IEEE CCN1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1746419365 FUXDTLYLIDEYBV-MOPGFXCFSA-N 434.610 2.185 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1748730027 CCYVAEWKHQEHRY-ICSRJNTNSA-N 430.597 2.157 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CS(C)(=O)=O)CC1 1748881502 GEPWRILZMSEODW-UHFFFAOYSA-N 441.513 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cc(C)cc(C)c1 1748892313 NMSSOOGBEAWXHS-FQEVSTJZSA-N 440.569 2.339 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1749033823 NIMNOJPZCDPZOP-MRXNPFEDSA-N 446.527 2.200 30 10 IEEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1749480926 OQUGMIWXKFNWGG-MRXNPFEDSA-N 428.562 2.483 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1749607641 GURLWUWGACDYEV-FCHUYYIVSA-N 439.495 2.360 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc(-c3cccnc3)n2CCOCCCO)CC1 1750384951 WELPRSBGLIHPCP-UHFFFAOYSA-N 447.543 2.327 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1750914012 ZMRSGZVUVTYWIB-LJQANCHMSA-N 432.532 2.383 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760155581 BVFLFGBQFWDFQE-LJQANCHMSA-N 440.548 2.407 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1760205388 AFHNCBSOJPUOHB-VXKWHMMOSA-N 432.572 2.066 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1csc([C@H](C)OC)n1 1760221546 AVZDOBODPXGDCE-INIZCTEOSA-N 426.546 2.076 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N(C)C2CC2)CC1 1760258951 VCVHFHYLOSSKQX-SFHVURJKSA-N 438.576 2.200 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCOC1 1760557100 ACOQUJBZBZYCMN-INIZCTEOSA-N 440.953 2.336 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1760648498 CJYHCGCXIZHFJW-HSZRJFAPSA-N 434.500 2.422 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1761060307 BPFDOWBWSIJYQX-NQIIRXRSSA-N 437.610 2.497 30 10 IEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](COC)OC)c2ccccc2c1=O 1767159534 HXQOUIZDDLBVOR-CVEARBPZSA-N 439.520 2.075 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N(C)C 1768662028 CTJYYEGNRCOJSQ-UHFFFAOYSA-N 430.578 2.410 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H]1C(F)(F)F 1770633272 LPKZDUOPMAZSGT-RHSMWYFYSA-N 448.449 2.310 30 10 IEEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)CC2 1849457902 PISBRAQCTRXWEB-SFHVURJKSA-N 433.921 2.063 30 10 IEEE CCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N=c4ccc(C#N)c[nH]4)CC3)CC2=O)cc1 1850724102 MGGLOVKVGYPLCO-HXUWFJFHSA-N 445.523 2.168 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1C#N 1851416494 DXBUMVAEKQELJC-KBPBESRZSA-N 425.411 2.005 30 10 IEEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)CCc2ccc(Cl)c(C(F)(F)F)c2)CO1 1855383120 CNXSGPAGUHOREY-LLVKDONJSA-N 426.800 2.304 30 10 IEEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868291750 WOBNOKUEEDMBQV-UHFFFAOYSA-N 449.559 2.025 30 10 IEEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN1CCC(CO)CC1 1870373418 LOFHNYQPXBEKGX-UHFFFAOYSA-N 436.512 2.466 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)cc1 1874353793 BCEZXCABCIYMSE-FOKLQQMPSA-N 439.497 2.241 30 10 IEEE C=CCN(CC=C)C(=O)c1cc2c(NCCN3CCOCC3)ncnc2n1CCCOC 1875221287 INYYPYOYVWLKGX-UHFFFAOYSA-N 442.564 2.026 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1891693133 MCHLGKVRGXUMCG-DOTOQJQBSA-N 430.448 2.109 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 1901324889 BPHPEZFFEZYCHV-OALUTQOASA-N 437.606 2.166 30 10 IEEE CC(C)(C#CC(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1911219283 XZXFGIPFCTWBAL-JKSUJKDBSA-N 439.553 2.027 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 2054340583 CISPQMVHYXQKQG-XJKSGUPXSA-N 439.372 2.231 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060636914 DNGJRKRSIYVTBV-IRXDYDNUSA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)O2)C1 2084592773 FSXJHZOTQOECJZ-WOJBJXKFSA-N 440.544 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NCC#CC(=O)O 2123600425 FVAANWYAAIVBHT-CQSZACIVSA-N 425.279 2.089 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2124516347 RHENYDDQVMAXGJ-FPTDNZKUSA-N 444.341 2.361 30 10 IEEE C#CCC[C@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O 2159131183 AQFMFXRVWXPESX-JTQLQIEISA-N 425.098 2.357 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2174786997 PIJGRPKBYFAMHH-FQEVSTJZSA-N 429.498 2.015 30 10 IEEE C=CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2241757265 NVIKKUPFOZZRLV-LJQANCHMSA-N 432.498 2.384 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)sc2Cl)OC1(C)C 2243383826 DUTWSAPANWPHNY-UHFFFAOYSA-N 438.664 2.204 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243416004 AGWXMLSTVXDZMM-HNNXBMFYSA-N 428.360 2.269 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 2247538662 OIEQHLNIARHZOV-BXFSZVDSSA-N 432.521 2.265 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2247833220 CGIOBGPNDHPIHJ-LBPRGKRZSA-N 439.343 2.113 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2248405615 VYRJFYLCVGYLIJ-HNNXBMFYSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254761771 NNVXPCKDIFVSSB-DZGCQCFKSA-N 438.305 2.438 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCO1 2255379504 MWHDPXOTSSPJRO-HZPDHXFCSA-N 433.358 2.499 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255819472 BEHORGUGSXIBAD-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE C[C@H](CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2255843331 FYGMPMWGXNTJNL-CQSZACIVSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256670152 AVFBQCZDLSYHIT-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267165586 HKHKMQAAABKCLM-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267261255 SUKAKFUCIXRJAD-CMJOXMDJSA-N 445.369 2.454 30 10 IEEE CN(Cc1nc(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1)C(=O)OC(C)(C)C 2267482953 LFODRLJJVLJXTA-UHFFFAOYSA-N 447.301 2.316 30 10 IEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268651025 MXMVTEFTBPAEMA-DAYGRLMNSA-N 448.369 2.437 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269073154 GWCNRTGBFFYNCK-KRWDZBQOSA-N 440.305 2.171 30 10 IEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c1 2330770352 XEOHPBYITTXVHO-UHFFFAOYSA-N 444.561 2.346 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)n1 2337030042 MAUXQHSVUDEAJU-GOSISDBHSA-N 446.401 2.334 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 2337195116 UPKQUDPNJVHCJU-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE C[C@H](C#CC(=O)N[C@H](Cc1ccccc1Br)C(=O)O)NC(=O)OC(C)(C)C 2366840831 BTEMBSGTPCXABA-IUODEOHRSA-N 439.306 2.478 30 10 IEEE N#CCc1ccc(NC(=O)Cn2ncc(Br)c(Br)c2=O)cc1 23559046 FCKWEODOUZSMNB-UHFFFAOYSA-N 426.068 2.473 30 10 IEEE COc1cccc(/C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)c1OC 33489447 DOUFKOMYJLCHRN-KGENOOAVSA-N 440.496 2.136 30 10 IEEE COC(=O)c1cccc(N/C(=N\C(=O)c2cccc(F)c2)NCCN2CCOCC2)c1 46134478 PNKRWTNVTBKSLV-UHFFFAOYSA-N 428.464 2.142 30 10 IEEE COc1cccc(C(=O)/C=C2\N=c3ccc(C(=O)NCc4ccc(F)cc4)cc3=NC2=O)c1 211039373 CWMLYFLABWALQQ-XKZIYDEJSA-N 443.434 2.311 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1Cl 435713424 DEVBSJCWCGPSHV-MRXNPFEDSA-N 445.972 2.078 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 446968487 ZJRZWIVGEZPEMB-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c1 476215866 FZIXZXZSUHIFCG-UHFFFAOYSA-N 425.919 2.230 30 10 IEEE CCOc1cc(N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)ccc1[N+](=O)[O-] 489839773 TWLOVOBAJGRBJT-UHFFFAOYSA-N 431.474 2.080 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(OC)c1 493917723 UIHSYOJSKLKUFA-QGZVFWFLSA-N 445.497 2.058 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 503131549 MLUGXAXTKWKVMI-DVECYGJZSA-N 440.544 2.198 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N2CCCC2)CC1 508876591 YFRAFRCNDYKEBU-UHFFFAOYSA-N 428.562 2.294 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)CC2)n1 512484517 PKSBEMCCOCEFJN-MRXNPFEDSA-N 438.454 2.118 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCCO3)c2=O)o1 514474994 DNGNGJYTBIAHMY-GOSISDBHSA-N 435.505 2.132 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1-c1ccccc1C#N 517154566 UNAYMUWGSZXUKM-UHFFFAOYSA-N 444.491 2.023 30 10 IEEE CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 534454138 FGSUHAILFHHHRI-HNNXBMFYSA-N 425.510 2.055 30 10 IEEE COc1cc(C(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 540746488 BEIDLPVKTPSALY-UHFFFAOYSA-N 438.484 2.291 30 10 IEEE CCCCNS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546917076 QXCDOYMKVTVBBS-UHFFFAOYSA-N 442.545 2.386 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 557459923 QGERPAKFFVIFNC-QAPCUYQASA-N 429.498 2.110 30 10 IEEE CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 565854973 PGKDJQJXHUZOOO-LJQANCHMSA-N 432.889 2.238 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CC1 581329896 IWQDAGPBASKTIH-UHFFFAOYSA-N 427.480 2.142 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)(C)c1ccccc1 585754331 HYJNENOJHJSZRP-UHFFFAOYSA-N 440.569 2.258 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)CC1 605406050 QJNHMGWWFORNDS-UHFFFAOYSA-N 430.427 2.088 30 10 IEEE COC(=O)[C@H](CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)Cc1cccc(F)c1 609267318 DQZUUOKHNRYZJT-KRWDZBQOSA-N 437.475 2.438 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 615023275 GMSSYRZEJISQLU-UHFFFAOYSA-N 428.514 2.040 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CC[C@@H](C)[C@@H](F)C1 669804800 FQXXOURIEZIJAB-APWZRJJASA-N 449.552 2.336 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 679532983 FHLZUTSALPMIID-YLAKUSLOSA-N 449.573 2.047 30 10 IEEE COCCCN=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1ccnn1C 727971665 MKAHXQAXWDAIFO-CQSZACIVSA-N 440.529 2.489 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccnc(C)n2)c1 730139958 DGKYPRKSSKGZPB-LJQANCHMSA-N 440.573 2.293 30 10 IEEE C#CCOc1cccc(COC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 730402705 HPKDRVJLAHOXJC-GOSISDBHSA-N 432.498 2.448 30 10 IEEE CCN(CC)C(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Cl 732415559 BCIBOADCSRHRMS-ISLYRVAYSA-N 433.896 2.470 30 10 IEEE CCN(CC)CCn1ccc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 737197427 DDIRPXNQAUVLKN-NRFANRHFSA-N 436.560 2.120 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)NCCNc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 754872464 CVTQWDPKWYVYRL-SJLPKXTDSA-N 430.871 2.429 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763436717 KUALJNWOLLYGCX-MRXNPFEDSA-N 439.562 2.183 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 772679905 QAGLMDVEHZOQBN-ZPHPHTNESA-N 434.374 2.432 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCCn2ccnn2)C1=O 784128555 ZVRAOTJLBDYJIT-AWEZNQCLSA-N 438.460 2.037 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc([C@@H]2CCCO2)[nH]n1 792683229 RLAOTMVXHCSQII-INIZCTEOSA-N 431.518 2.499 30 10 IEEE CN(C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1)C(=O)OC(C)(C)C 804156689 UKEDGRAECSOWOC-MRXNPFEDSA-N 432.496 2.419 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 805787050 ZNQGYGVDPYAWNM-VXKWHMMOSA-N 448.571 2.216 30 10 IEEE N#CCC(=O)N1CCN(C(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)CC1 807922492 RURPXHWXRJRJMT-KRWDZBQOSA-N 426.420 2.021 30 10 IEEE C#CC[C@]1(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCN1C(=O)OC(C)(C)C 808597828 WJRHXEYHIUFPTO-YZZKKUAISA-N 434.533 2.493 30 10 IEEE O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(CCCCF)C1=O)Nc1cnccn1 812223069 YRRDJQDWJJWDPD-ZCMXAENPSA-N 430.509 2.493 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2occc2C)cn1 813565188 VGIZIGYYGOYJAS-KRWDZBQOSA-N 445.545 2.191 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](OC)C2CC2)c1 814708831 SXSPMZVTRPYOEV-PMACEKPBSA-N 442.585 2.092 30 10 IEEE CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCCn2cnc(C#N)n2)CC1 1128720832 WLNKWACYSLWZFD-NJDAHSKKSA-N 436.560 2.456 30 10 IEEE COCCCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@@H]1CCS(=O)(=O)C1 1136427198 DYAKRZMAJRXVKM-HXUWFJFHSA-N 442.541 2.231 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C(=O)OCC 1153510111 NPGKMVGZSLUASK-QGZVFWFLSA-N 433.530 2.349 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@]3(c4ccccc4)C[C@H](O)C3)CC2)cc1 1177167877 VCXNANKVJGHVSA-UHGJSFDGSA-N 439.537 2.125 30 10 IEEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)nc1 1194526557 DWBXBXYIDNYXRF-UHFFFAOYSA-N 432.477 2.026 30 10 IEEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1202983055 BFAWELJXPBJCIH-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE CC(C)(C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O 1226109912 DBITWFSZJATWRC-HKUYNNGSSA-N 425.533 2.377 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1C(F)(F)F 1286360216 DPLDHGBUPNEACP-CYBMUJFWSA-N 429.468 2.219 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286384261 HAYWZDGGAPNKMN-MJGOQNOKSA-N 449.621 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286408893 GJWKKPJOCCAHQJ-MOPGFXCFSA-N 431.606 2.144 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCCN2CCCC2)CC1 1286484353 JGDWBWZWMBXKHG-UHFFFAOYSA-N 438.624 2.161 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN(C)CC(F)(F)F)CC1 1286489730 ABUVTJUJKUQSPE-UHFFFAOYSA-N 440.514 2.396 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC(C)C 1286746811 GAGZKCPOVBWEFZ-GOSISDBHSA-N 428.512 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286816447 LGXRSOSLFPQLOO-KRWDZBQOSA-N 449.577 2.188 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)[C@H](C#N)C2(SC)CC2)C1=O 1288177277 CDCSARWJEJFJQR-OXQOHEQNSA-N 430.530 2.017 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccccc1OC(F)(F)F)c1cc[nH]n1 1290500071 XWZSHEMRRRJRQE-UHFFFAOYSA-N 428.367 2.251 30 10 IEEE CCCN1CCC(N(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1294675471 ZYXMZBJVOUYZER-VXPUYCOJSA-N 443.596 2.413 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](N4CCOCC4)CC3)C2)C1 1297753389 LXVBFRLWJSZVMK-NCMKUFGYSA-N 446.592 2.487 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1300308591 CRMHIRPCYUJZSA-PXNSSMCTSA-N 425.533 2.359 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1300466060 TYHIPEPXFLMVGZ-MJGOQNOKSA-N 444.580 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)c1cc[nH]n1 1300521058 LMACTXLESUIWKT-UHFFFAOYSA-N 429.528 2.469 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C2OCCO2)c1 1300553433 ITVNFEJJCVYUEZ-SFTDATJTSA-N 436.512 2.169 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CCC(C)C)CC2)CC1 1300696338 YPLCDTYQLPZFJZ-UHFFFAOYSA-N 438.624 2.192 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1300779204 RFDOGDGWMRYAFQ-YADHBBJMSA-N 443.935 2.005 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1300858190 MBKBDQKDNXPKAB-SFHVURJKSA-N 437.342 2.044 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc(C)no2)CC1 1300862681 CEIUUDAUHDOCHM-QZTJIDSGSA-N 443.552 2.473 30 10 IEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300997048 ODNGZYXSNSZIRE-SFHVURJKSA-N 427.553 2.221 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301152373 YMTOJCMIRBHRGS-IAGOWNOFSA-N 430.553 2.151 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CC1 1301410332 CAPMEHBXGWYPPA-UHFFFAOYSA-N 430.534 2.084 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(OC)CCOC2)C1 1301556842 MVQKFNZUMWRMRN-WMZHIEFXSA-N 428.533 2.464 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1302435825 XWOCANQBDPHYIQ-SFHVURJKSA-N 448.531 2.226 30 10 IEEE N#Cc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)C2)o1 1302992314 XATOSVUBBMOHLS-UHFFFAOYSA-N 427.262 2.157 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1303011897 VBIKNSARAUODOG-RBUKOAKNSA-N 440.523 2.395 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)N1CCn2ncc(I)c2C1 1303996456 MAJCSSDRQOKZIU-UHFFFAOYSA-N 428.180 2.494 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1306745829 JLQRTBYEWVSASZ-KRWDZBQOSA-N 426.521 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1cc(Cl)ccc1OCC#N 1307939646 WDSRFASTZAKGCF-FQEVSTJZSA-N 425.913 2.330 30 10 IEEE C=CCN(C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br)[C@@H](C)COC 1312663154 YCLVNPHGEXRQQG-AWEZNQCLSA-N 448.383 2.268 30 10 IEEE CCN1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313956491 GIBIZTPHEQGTBO-JOCHJYFZSA-N 426.544 2.118 30 10 IEEE CCNC(=O)C1(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CCC1 1313980052 BNCMOFOPOLARMI-AWEZNQCLSA-N 427.509 2.051 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1358916036 XREYMIITCPGYEI-HSZRJFAPSA-N 436.564 2.429 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1358929886 KKJUUHKQSJTPRC-ROUUACIJSA-N 444.557 2.260 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1358940060 MWHGPWCRJMHAOW-SFHVURJKSA-N 437.342 2.047 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@@H]2CCOC2)CC1 1359036773 IOHUKWJDMUPEKD-NRFANRHFSA-N 441.551 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCc2cnccn2)nnc1[C@]1(OCC)CCOC1 1359105062 JGORFAJGEVHRHM-RFWXGWTQSA-N 442.564 2.380 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359132877 HJULNPOPVUGZDV-RTBURBONSA-N 438.594 2.026 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359303458 PGUVSPBJBLNJNG-LJQANCHMSA-N 438.580 2.208 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359309620 YNIRSFFGVQBZLW-UHFFFAOYSA-N 425.533 2.275 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N1CCOCC1 1359311322 XUSVITHLGMIPDM-HXUWFJFHSA-N 441.532 2.038 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(C)(=O)=O)C1 1359318904 ORJUHDVYLAHWAL-INIZCTEOSA-N 429.546 2.263 30 10 IEEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)N(C)Cc1ccccc1 1360529453 HGVMFQBBFSSWBW-WZONZLPQSA-N 439.539 2.477 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1360540462 CUIVCDIARWROOF-SFHVURJKSA-N 441.543 2.360 30 10 IEEE N#Cc1ccc(-n2nccc2NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)cc1 1435172710 YZSWWNIBPYIEET-CQSZACIVSA-N 427.511 2.284 30 10 IEEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCc2c(CC#N)cccc2C1 1438172846 BMOAMZREZJZOME-UHFFFAOYSA-N 426.542 2.464 30 10 IEEE COc1cc2c(cc1OC)C(C)(C)N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 1438910464 QLGVCHJDBBXVPH-UHFFFAOYSA-N 443.525 2.062 30 10 IEEE COc1cc2nc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)c(=O)n(C)c2cc1OC 1453583858 VHEJYXFPGYQRLR-UHFFFAOYSA-N 448.479 2.258 30 10 IEEE CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)c1cc(C#N)ccn1 1459113157 RHFYXZURCYSDHF-LJQANCHMSA-N 442.273 2.146 30 10 IEEE O=C(NCc1nnc2n1CCNC2=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1462493824 HNSCAVIMTXRQHU-UHFFFAOYSA-N 439.291 2.241 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1468540910 MXWKMKLYQFWJKN-DRSNIGMVSA-N 430.505 2.395 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 1469772240 XRNJXJMQQCQZOI-HXUWFJFHSA-N 433.917 2.000 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)C2)c1 1470618094 CIDQIQJIMMYNJP-UHFFFAOYSA-N 433.493 2.112 30 10 IEEE CS(=O)(=O)Nc1cc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc(C(F)(F)F)c1 1471525033 FJWFGYOTEYMQOY-SECBINFHSA-N 444.300 2.365 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)c1ccccc1C(F)(F)F 1472030585 BNAONYUFKKSWIB-SJKOYZFVSA-N 441.431 2.094 30 10 IEEE CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)cc1OC 1502799533 FUEGXWBESYYMLB-UHFFFAOYSA-N 433.534 2.137 30 10 IEEE CCOCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503174191 CYJQDMWQQDBBQF-HXUWFJFHSA-N 426.569 2.133 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1503651312 VDIRUXXUYXBAOV-UTKZUKDTSA-N 448.522 2.165 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCCC1 1504440823 GCPLFTJQFDAAJQ-LJQANCHMSA-N 440.548 2.470 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507564805 XCDDLTHHJCLSHM-QFBILLFUSA-N 430.530 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1507661365 SYDSHFIWSOAVDZ-URXFXBBRSA-N 441.576 2.040 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cc(C)nc(N2CCCC2)c1 1507665207 LMAMGSRZLXSAGM-UHFFFAOYSA-N 428.544 2.493 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(O)CCN(C(C)C)CC1 1507709173 SWBFJRBOEGENEP-UHFFFAOYSA-N 441.576 2.275 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1507713362 HJUFNGRFEDNWLT-GHTZIAJQSA-N 427.597 2.346 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@H]2CCC(=O)N2)n1 1507715950 DXUVUBMPAFYZSN-LJQANCHMSA-N 447.543 2.015 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCC)CC1 1507722822 KJNFVHHNPDJYFQ-UHFFFAOYSA-N 427.512 2.414 30 10 IEEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507946660 UVXLKWQPNHZBDY-HXUWFJFHSA-N 427.597 2.471 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCCn1cnnn1 1507998495 BMRPAIRJYUQWCD-UHFFFAOYSA-N 426.488 2.481 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1508021846 UNAQJALWURDHOZ-SFHVURJKSA-N 435.550 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1508078620 FLPTUXUPRNNZDK-SFHVURJKSA-N 425.533 2.269 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1508142967 HVLOPFBAAXGPBS-UHFFFAOYSA-N 431.518 2.302 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCN(C)C 1509937328 BFQYMBRITMSYKC-CQSZACIVSA-N 438.374 2.363 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1517225533 GNVWVUKDIRIYDI-WXVFVKJXSA-N 436.516 2.334 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1517262643 LFZREAYJXTZWFD-OAHLLOKOSA-N 439.488 2.255 30 10 IEEE CNC(=O)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1517583330 FTCOHLZYUHYYOS-INIZCTEOSA-N 437.529 2.242 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1518651765 SKPPMJVWYNZQBI-RUCARUNLSA-N 426.496 2.250 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)c1 1519568256 ZPNCWQQGBDHFTG-UHFFFAOYSA-N 432.480 2.478 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)cc(OC)c1OC 1521186277 WBZLNHKGNMLXTH-VKJFTORMSA-N 449.504 2.323 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)s2)cc1 1527274640 UUHIPEVKMOFWRH-XDJHFCHBSA-N 441.556 2.217 30 10 IEEE N#Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(F)cc1F 1535439211 DATHENXPGAYZPZ-UHFFFAOYSA-N 425.388 2.249 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1536995909 CGOHTGPHPVZQON-UHFFFAOYSA-N 427.457 2.339 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539058426 DWFCRIFBPKHWGH-QFIPXVFZSA-N 445.571 2.363 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1539212302 ULRCGVQQRQZIJM-GOSISDBHSA-N 444.948 2.122 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1539344809 KPDHDQPWPZKYHJ-WMZHIEFXSA-N 442.564 2.179 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539490932 JUODMHLGSZEYAO-IBGZPJMESA-N 432.638 2.291 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1)c1ccccc1 1539764875 AVOMUXOBRCPZPM-UHFFFAOYSA-N 432.532 2.246 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539966832 MYFWCOWFCGWFFS-GOSISDBHSA-N 439.564 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCc2oncc2C1 1540908802 ODFKDULOKDUWED-UHFFFAOYSA-N 447.492 2.148 30 10 IEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1541233625 OMDQSCCLDPCIHH-UVDDSOTQSA-N 443.573 2.360 30 10 IEEE Cc1cccc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)n1 1542645290 ICWFNJBFBSVLED-SFHVURJKSA-N 428.562 2.256 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 1542837480 SWLUKHXZARBDJK-LIRRHRJNSA-N 427.501 2.298 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCCO)cc1OC 1554857300 WIQOHDCAKJAKAI-JOCHJYFZSA-N 429.521 2.491 30 10 IEEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1)OC 1555246847 NPEDQHSUMUFIHI-CXAGYDPISA-N 441.305 2.149 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)ccc1C 1562139280 GKWFXORIXWBFFH-UHFFFAOYSA-N 436.534 2.336 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1587765404 GGPICUMHDJSLSO-KRWDZBQOSA-N 437.591 2.112 30 10 IEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1587787909 RZXXBXBACDQJOB-UHFFFAOYSA-N 436.491 2.456 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1587862107 SYWNREMFMQHVIP-LJQANCHMSA-N 429.546 2.027 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588035307 RFMMEJBIIDPWCD-XMSQKQJNSA-N 444.557 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)Br 1588186326 WAWBCNQABRAYRJ-MRXNPFEDSA-N 431.281 2.381 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1588314507 GZKOPTXKLWGFQJ-UHFFFAOYSA-N 429.484 2.103 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(CC)(CC)OC)CC1 1588955243 SMXPHIJJFHEXHS-UHFFFAOYSA-N 438.576 2.435 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1589568269 IPGNQVSTNUSWJF-KCZVDYSFSA-N 433.597 2.344 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O)C1CC1 1595058436 LXWWEDGPVWZQQI-GOSISDBHSA-N 448.568 2.268 30 10 IEEE C=CCn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595453269 QWAPJVSCHLMTBK-XMMPIXPASA-N 440.592 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCSC2(CCOCC2)C1 1595496917 KWYAQKAZIJTFIB-UHFFFAOYSA-N 443.573 2.358 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 1595531351 LFWFSFFPFGEPRO-TZIWHRDSSA-N 431.558 2.280 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)[C@H]1C 1595550310 CGDOHJKMKWQNEO-RKVPGOIHSA-N 429.546 2.423 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCOCC2)C1 1595737624 FFUWSKFNOBWIQK-QFBILLFUSA-N 432.594 2.136 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ncc(C#N)cc1C)C2 1597810305 OVZWSOSANCANCX-ZMPRRUGASA-N 428.489 2.180 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccnc3Cl)ns2)cc1 1611491652 YIYXIEQWXNPFNB-UHFFFAOYSA-N 433.902 2.417 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCc2cccnc21 1611659255 OTDJNVNHEWRTBU-VYDXJSESSA-N 431.566 2.142 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)C[C@@H]1C 1615871631 DGZRBCWSYPYWTL-HNNXBMFYSA-N 438.561 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCO[C@@]2(CCOC2)C1 1617132296 PFMCOBWQUYJHNX-CVDCTZTESA-N 427.501 2.410 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C(C)C 1619448431 UHBARJKPIOWNJT-JOCHJYFZSA-N 444.511 2.470 30 10 IEEE COC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619585736 NVESGFGEIMASIT-MDNKFWRPSA-N 443.573 2.206 30 10 IEEE CC1(C#N)CN(C(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)C1 1626535876 AQTIGAFWOPUGNC-UHFFFAOYSA-N 439.310 2.121 30 10 IEEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628421647 MROHPBPPMYSTNX-HUUCEWRRSA-N 438.550 2.035 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCN(CC(F)(F)F)C2)s1 1628573349 UBRQJGBOZXEKKH-ZDUSSCGKSA-N 439.525 2.145 30 10 IEEE C#C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)cc1 1629255863 AVYDQJUFXPTMAY-NRFANRHFSA-N 445.972 2.445 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1631610394 KOPYOFUYWYBRBT-FQEVSTJZSA-N 443.548 2.009 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1 1632180346 JRAUJUHYENMRME-HNAYVOBHSA-N 442.541 2.199 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CSc1nnc(C)n1-c1cccc(OC)c1 1632228604 QQOJAJDTYSBAHS-UHFFFAOYSA-N 430.530 2.480 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)CC1 1633559987 RVGRKTCTZFTQEO-KRWDZBQOSA-N 430.501 2.357 30 10 IEEE CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1639821703 KKMITMWEVSVGJT-HXPMCKFVSA-N 438.937 2.270 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1644244817 GTOMBLOHXVBCNC-CEXWTWQISA-N 447.557 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CCC3(CC1)CC(=O)C=CO3)=NO2 1648005628 VMMYRMYFJQXCLP-UHFFFAOYSA-N 433.505 2.397 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 1648478305 ZFEKLLOITWWHKG-NRFANRHFSA-N 430.574 2.250 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccncc1Br 1651367363 STOFYHPQYKKFKO-RYUDHWBXSA-N 437.319 2.260 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12)C1CCOCC1 1665156845 WOTCJGVTTJIUGS-GFCCVEGCSA-N 432.727 2.457 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1 1675523665 KFTNVQGHZBNFFT-UYAOXDASSA-N 432.590 2.004 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1689930146 LKAIPJPUNARFAG-IRFCIJBXSA-N 425.581 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)CC=C 1690048349 IIENGFISOAFCGV-UHFFFAOYSA-N 432.496 2.211 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1ccc(C)c(F)c1 1690102368 JNAALBZWAOHEPZ-FQEVSTJZSA-N 443.523 2.483 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NCc2ccccc2)CC1 1690115730 QOCLMTQODNSKMI-UHFFFAOYSA-N 432.528 2.308 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)cc(F)c1 1690155743 NGEKBDRUEDDBEX-ZDUSSCGKSA-N 443.545 2.169 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690165756 JCUISOUCYKKMHG-HXUWFJFHSA-N 433.541 2.285 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1690214335 GCEYGYVOVKHBHU-KSFYIVLOSA-N 430.553 2.478 30 10 IEEE C=CCCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1690467842 KHJJVDOVWFASNV-XLIONFOSSA-N 426.583 2.300 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690483892 YKDUZDUQZNUWQM-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690509137 XTCXWANXTXJVTP-KRWDZBQOSA-N 444.536 2.070 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690595415 WEFZOPXWKOVHAE-FHWLQOOXSA-N 429.544 2.307 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1690740329 QSRWVTGAFDGZBB-UHFFFAOYSA-N 428.541 2.459 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)n1 1693177732 HQDVXERSYPQDRZ-UHFFFAOYSA-N 439.545 2.048 30 10 IEEE CCNC(=O)c1ccc(Cn2c(CC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc1 1695930288 GKHACTZMKOAQEB-UHFFFAOYSA-N 444.543 2.232 30 10 IEEE N#CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1698493337 QLWZEAQYSPOOFE-MRXNPFEDSA-N 444.517 2.418 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705567226 UVVICYYHAGWXDM-WOJBJXKFSA-N 428.558 2.156 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1705570655 RZPVWNZDRLSJOQ-OAQYLSRUSA-N 442.585 2.178 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1([S@](C)=O)CCC1 1705587157 JOZIFFXNRIYERB-PMERELPUSA-N 426.542 2.240 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2snnc2C)CC1 1705640038 BXXJNKQWSXVLFZ-UHFFFAOYSA-N 427.965 2.486 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1705640673 ALDWVYVRAROIKX-QGZVFWFLSA-N 437.573 2.231 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1)C1CC1 1705849624 RJMYCWQOEYMMGC-IBGZPJMESA-N 439.564 2.437 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1CSC 1710893302 IWERTEPJPXFEMQ-GOSISDBHSA-N 448.618 2.478 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712126302 HASWNBBRMBAWGF-GOSISDBHSA-N 425.537 2.395 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722309914 FPXFDJUETQAXBI-CQSZACIVSA-N 440.367 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCOCCS(C)(=O)=O 1722394209 SBLRSADRDNTIKU-UHFFFAOYSA-N 434.949 2.123 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1722527350 HBSPWQMYSHGUBU-UHFFFAOYSA-N 428.493 2.480 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722599337 GTTNJHXIVNQTTG-IAGOWNOFSA-N 425.599 2.376 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CCN(C)CC2)C1 1722711495 FBGOYJPJJVZDIA-KRWDZBQOSA-N 429.594 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C2CCC1(C)CC2 1722724783 FYYLDGAXCGXYGU-UHFFFAOYSA-N 430.534 2.048 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1722738081 AUBVQTWMIKQRHF-QGZVFWFLSA-N 443.639 2.157 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1724017939 NTNJMEMDEYWJQG-HTAPYJJXSA-N 426.496 2.256 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 1730607423 BHZBOAPONPFQRS-PMACEKPBSA-N 441.532 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1740536751 MARQPLAMPGGRBA-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nncn1C 1740558735 XEIPEAYIQJZABI-ZDUSSCGKSA-N 430.310 2.254 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740568248 DDKQITIMHHRADT-UHFFFAOYSA-N 440.573 2.386 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740598044 BZNYBYDPFOLHLB-HXUWFJFHSA-N 428.581 2.114 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCCO)c(OC)c1 1740638836 OPFWZAOXDRJNEC-UHFFFAOYSA-N 431.496 2.149 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740847274 CPOTXGIMYCYDRB-KRWDZBQOSA-N 431.585 2.415 30 10 IEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC)c1ccccc1 1740853977 BYGFOZCSYDGUTN-OALUTQOASA-N 433.578 2.427 30 10 IEEE C=CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1740910229 ARACKLRFIUBDCW-QGZVFWFLSA-N 431.562 2.283 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSC)C1 1740976019 RUZUSUYNBKUVSO-GOSISDBHSA-N 426.550 2.455 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1(O)CCOCC1 1741170424 CRYVODACBKKOIV-UHFFFAOYSA-N 439.564 2.100 30 10 IEEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCO1 1742950862 FKBAOJAQUVEMHP-SUMDDJOVSA-N 429.546 2.255 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1744335903 HCOYNBWCSMAMIN-NQIIRXRSSA-N 446.552 2.373 30 10 IEEE CCN(C)C(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1745888496 FWDLQOBWFMZRPF-UHFFFAOYSA-N 425.512 2.361 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)C(=O)NC 1746882188 DYFYLRNVADIMKV-QFIPXVFZSA-N 444.511 2.470 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)cn1 1748023044 FBDGRXHQJZBQIF-UHFFFAOYSA-N 436.520 2.317 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1748912464 DMDPELCUDUYRAK-OAQYLSRUSA-N 431.562 2.270 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1748978827 PMZAPCWWYVBJOP-RPWUZVMVSA-N 445.608 2.017 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749026091 DEHKPRFREFFBBL-KRWDZBQOSA-N 434.587 2.334 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(-n2ccnc2C)nc1 1749598310 VLIDUDIDMDIDEY-UHFFFAOYSA-N 431.504 2.311 30 10 IEEE C=CCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749646608 UGPILJPVVAFSSE-DEOSSOPVSA-N 446.640 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)C1 1749697599 LKXXBWCMBGPROV-OFNKIYASSA-N 428.533 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749730461 FMTCQEJRHOXXOS-UHFFFAOYSA-N 444.561 2.461 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1751202327 MEBWJTTWCZETCQ-NWDGAFQWSA-N 444.483 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N(C)C)c1 1760207866 ZTMISSPOSRLHDQ-UHFFFAOYSA-N 432.553 2.457 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ncn(C)n1 1760212093 RXKJAZNFVLIBAA-UHFFFAOYSA-N 442.296 2.486 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCN(CC)CC1 1760214192 FIUPUMQGXJHWMR-UHFFFAOYSA-N 448.571 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1760270582 ZHSJFJKGYGUUAT-MRXNPFEDSA-N 427.471 2.479 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760322819 XYJDJDRBYFQRSO-AOIWGVFYSA-N 444.580 2.321 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N2CCOCC2)C1 1760536894 HAQCIFFZOJZOEW-MRXNPFEDSA-N 449.914 2.378 30 10 IEEE CC(C)NC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1761266637 FIFJRWBPZDYPJP-VZCXRCSSSA-N 427.553 2.039 30 10 IEEE COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CC1 1771144332 AVMJQNXEORVBDN-UHFFFAOYSA-N 442.470 2.428 30 10 IEEE N#CCC(=O)NCCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 1852617779 QSPOPOLQRNJRSA-NRFANRHFSA-N 430.464 2.308 30 10 IEEE CCN1CCC[C@H]1CN(Cc1cccc(S(=O)(=O)CC)c1)C(=O)c1cnc(C#N)nc1 1853453043 WAYPPJWEZSLIBU-IBGZPJMESA-N 441.557 2.269 30 10 IEEE NC(=NOCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1cccs1 1853542869 KHSHXCKJCIXDKI-UHFFFAOYSA-N 446.964 2.421 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncnc1 1854527564 OVWNLLLSAZJHBO-QGZVFWFLSA-N 426.498 2.325 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccc(F)cc4F)C(=O)C3)C2)s1 1856275736 OPARJIMHRDDATG-HNNXBMFYSA-N 430.480 2.457 30 10 IEEE COc1ccc(CC(=O)N2C(=O)CCN(S(=O)(=O)CC#N)c3ccccc32)cc1C 1856930011 GHWDZJOXZUYWPJ-UHFFFAOYSA-N 427.482 2.169 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1857339516 QBBCYHPHWURHDE-HNNXBMFYSA-N 425.457 2.050 30 10 IEEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc(OC)c1OC 1860724804 UJBZCWTXBUJGBU-VMPITWQZSA-N 426.425 2.289 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1C(=O)O 1862608820 WVEGKUXYGKSXQO-CWTRNNRKSA-N 439.420 2.115 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(O)c2)cc1F 1862638176 VTFHHLTWVONAOE-IBGZPJMESA-N 430.432 2.385 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)cc1 1862747692 VDKUNAOABYQSAM-GOSISDBHSA-N 425.397 2.015 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1cc(OC)c(O)c(OC)c1 1864956714 FZRKMWFUCFXHIV-INIZCTEOSA-N 428.489 2.092 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CC(=O)OCC)=C(N)Oc2c1c(C)nn2C 1865227480 KEBKUTVKCOTZJJ-IBGZPJMESA-N 440.500 2.009 30 10 IEEE CCN1CCN(C(=O)[C@H](NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868784470 XLDIQGGATTVAIP-PZJWPPBQSA-N 445.633 2.330 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1Cc1ccco1 1870543828 DWOAIIFNFUWOFQ-FQEVSTJZSA-N 441.528 2.338 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1C 1874433730 VJXCYZQTSSUJQG-ZVBGSRNCSA-N 429.531 2.292 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN2CCC(C#N)CC2)c1C 1890551167 QHFRDZDFJWBDDQ-OAQYLSRUSA-N 446.617 2.425 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CC(COc4cccnc4C#N)C3)n2)cc1 1891444481 SIJHAWXWKXFJBH-MRXNPFEDSA-N 445.479 2.284 30 10 IEEE CC(C)C[C@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)N1C(=O)c2ccccc2C1=O 1891476796 HNRVMNLJZNFKPL-OXQOHEQNSA-N 447.495 2.429 30 10 IEEE C=C(I)C[S@@](=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 1895212083 MVLNKGQBFLJGFY-AOUSDQRYSA-N 431.292 2.440 30 10 IEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2Br)CCN1Cc1ccccc1 1914862910 RWHCBYBQAOEVQH-MRXNPFEDSA-N 435.347 2.430 30 10 IEEE Cc1nc(I)c(I)n1CCO[C@H](C)C#N 1928097415 GUPVGGASHXKPHG-ZCFIWIBFSA-N 431.015 2.329 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2010126183 XONYADGWACKJJQ-BTYIYWSLSA-N 440.541 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2N)[C@@H](C#N)C1 2106651477 OWAUXQQNXIDRPS-LBPRGKRZSA-N 445.339 2.165 30 10 IEEE C#CCN(CCn1cc(Br)c(=N)[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 2106679634 YLPIEXCZMIHKJC-UHFFFAOYSA-N 426.359 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@]21C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124523232 CTIBMHJRRJCSCR-IEROGBPDSA-N 444.341 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124536000 YQPFISNOQKUBEM-DZKLMBRESA-N 444.341 2.408 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2174787599 VWXPRVPTABUCEK-IBGZPJMESA-N 429.498 2.183 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243416639 IEBUCTOQZBBJSR-CABCVRRESA-N 428.360 2.197 30 10 IEEE COc1ccc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255542348 QGKIPDXHNQTYHD-HZPDHXFCSA-N 432.326 2.390 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603114 BEEJUTYAGDGZFO-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 2255623309 LNZVRZJOPUKJTI-KBPBESRZSA-N 436.362 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2255627395 SEIOHCGOSWETPQ-OKILXGFUSA-N 434.346 2.275 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255814823 DXXVGVSSVCYFCV-GZBFAFLISA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256682392 YTQAZFATWKSDEO-ZDUSSCGKSA-N 438.305 2.197 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2259927538 YYERERFEJAQVIX-JLCFBVMHSA-N 431.342 2.301 30 10 IEEE Cc1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)oc1B1OC(C)(C)C(C)(C)O1 2267136255 FEDYZJHCGLHZGY-UHFFFAOYSA-N 444.259 2.418 30 10 IEEE Cn1nc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267137806 PNBJBNUITOQIHH-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267139986 NDVZGAWDZSYOMO-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267189067 VMKZSJXXANUTNO-MJGOQNOKSA-N 438.381 2.217 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267289228 MKENEFHNGGQGHY-HOTGVXAUSA-N 448.325 2.039 30 10 IEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCC3(C2)OCCO3)OC1(C)C 2267369210 TXATYOHDGIXMNG-ZDUSSCGKSA-N 429.369 2.011 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267505882 OZLXEYPNXHRPET-HKUYNNGSSA-N 438.381 2.217 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267515917 VWFJWDFWPBFEGB-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267522560 XUIJPKXPKCJVOV-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE Cn1nc(C(=O)N2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267547323 ISNTWQNCAIYQON-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268645733 QMNJJFPQVPJNQQ-HUUCEWRRSA-N 447.341 2.201 30 10 IEEE C[C@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268716559 FKHDRAMKGJPBRU-DOTOQJQBSA-N 448.369 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2269768312 HCEXEHIADLWMTM-INIZCTEOSA-N 447.341 2.345 30 10 IEEE Cc1ccc(CNC(=O)CN(CCO)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278702082 ZGSRPWXVTYTKRQ-UHFFFAOYSA-N 448.369 2.140 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 2296125896 SWZBATZAGANGFU-HXUWFJFHSA-N 426.469 2.432 30 10 IEEE O=C1C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H](c2ccncc2)C1=C(O)c1ccc(Cl)cc1 2296564587 ULXRTPPRKWAGNZ-DOTOQJQBSA-N 432.885 2.344 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2317164144 WAZDWVKCLCWCRA-UHFFFAOYSA-N 429.326 2.251 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335394621 DLEOEWGBENSXRO-CVEARBPZSA-N 445.379 2.327 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC 2352340339 YFKKQOVYHYFDKB-ZACQAIPSSA-N 427.339 2.289 30 10 IEEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)N1C(=O)C(=O)c2cc(Br)cc(C)c21 16893864 DWGWUDUJHJJWNQ-ZDUSSCGKSA-N 430.262 2.309 30 10 IEEE COc1cccc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1 58996563 SIMGIPOHQMFBSB-LSHDLFTRSA-N 440.485 2.397 30 10 IEEE C#CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 111046163 BXOFFUWACRSFJG-CTNGQTDRSA-N 439.537 2.388 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 409488748 WEHNWYQZEMAMLS-HNNXBMFYSA-N 429.384 2.293 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431218842 MAPYMLPSRXLQKN-UHFFFAOYSA-N 445.610 2.111 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1-c1ccccc1C 440382632 SQBWTECAIRVZMN-UHFFFAOYSA-N 447.560 2.383 30 10 IEEE COc1ccc(F)c(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 447249005 MQAGPMXPVANBEX-UHFFFAOYSA-N 439.403 2.241 30 10 IEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 460795868 QLDDSPCFLIKKDD-UHFFFAOYSA-N 449.577 2.207 30 10 IEEE CSc1nc(O)c(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1C#N 476528853 AAZIDJQKAGYSIZ-UHFFFAOYSA-N 427.530 2.259 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)cc1 480373597 XNRGOCRLAQHXMA-SJORKVTESA-N 439.534 2.068 30 10 IEEE N#CCOc1ccccc1C1=NO[C@@H]2[C@H]3C[C@H]([C@@H]4C(=O)N(Cc5cccnc5)C(=O)[C@@H]43)[C@H]12 504708491 ZJVAWWXWSPYHTM-OTMRLVHASA-N 428.448 2.154 30 10 IEEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)C1 512841405 SELVUHJQFFQJQD-HXUWFJFHSA-N 432.540 2.014 30 10 IEEE C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccc(C#N)cc1 518748149 HKEQZBLGYXAPRJ-KXBFYZLASA-N 441.509 2.327 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(C#N)cs3)c2=O)cn1 531370707 ULWVSQZZKICJOS-UHFFFAOYSA-N 448.529 2.108 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(Oc4ccc(F)cc4)CC3)CC2)o1 533435294 YXBISNFMXLOWBQ-UHFFFAOYSA-N 427.480 2.186 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCc3nc(Cc4ccc5c(c4)OCO5)no3)C2=O)cc1 544986840 DDLRFBKFPGOFJA-MRXNPFEDSA-N 431.408 2.318 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 558979653 RCVGTLFXKJGRSI-NRFANRHFSA-N 443.548 2.282 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585765144 RDHIRXCVHHHEAJ-UHFFFAOYSA-N 427.892 2.017 30 10 IEEE CCN1CCN(C(=O)c2ccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 604485924 CDSDAVMWNDYGIA-UHFFFAOYSA-N 447.543 2.085 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(Cl)c2)c1=O 604523567 KGKZBZVLOTVTGZ-UHFFFAOYSA-N 444.940 2.389 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 610810859 RUDXTSXODGPPCG-RBUKOAKNSA-N 440.569 2.348 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(C(=O)NCCOC)CC1 669803012 NCPRNHGLZSTUDA-UHFFFAOYSA-N 438.576 2.396 30 10 IEEE C=C(C)CN(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CCCO1 670314142 IHLMDDPBAKDJDX-OAQYLSRUSA-N 438.576 2.427 30 10 IEEE CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 730458770 SUCUWWWWIOEQAO-FCHUYYIVSA-N 438.553 2.261 30 10 IEEE COc1ccc(COC(=O)c2cc(S(N)(=O)=O)c(Br)s2)cc1C#N 747046442 MYEZDAXSYDCIRF-UHFFFAOYSA-N 431.289 2.395 30 10 IEEE Cc1nn(C)c(N2CCOCC2)c1C=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1 755733376 LWGKVJWVGNYMLF-UHFFFAOYSA-N 446.437 2.304 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 768068433 FJJZWBHWUOGCTE-UHFFFAOYSA-N 431.493 2.101 30 10 IEEE C#CCN(C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@H]1CCS(=O)(=O)C1 774038637 MZPMYDOPUBCVJI-ZDUSSCGKSA-N 428.392 2.410 30 10 IEEE C#CCN(C(=O)NCCCc1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 774218008 CRWQIBPAGOKEIU-OAHLLOKOSA-N 431.327 2.353 30 10 IEEE C#CCN(C(=O)NCc1cccnc1Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 774223259 ATPIDRUPXBCUGY-KRWDZBQOSA-N 429.498 2.214 30 10 IEEE COCCCS(=O)(=O)N1CCC(OC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 774985730 PVEUVMFAFIOKMN-UHFFFAOYSA-N 435.502 2.238 30 10 IEEE CSc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC2=O)cc1 781598790 CSTXULGQSSCCHJ-LBPRGKRZSA-N 433.486 2.277 30 10 IEEE COc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cnc2c1cnn2C 783911448 DBDPXSLAPGQGCK-JJIBRWJFSA-N 442.501 2.042 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)c(Br)c2)n1 788695575 VIUXPFZVCVVTIX-UHFFFAOYSA-N 442.335 2.125 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnc(OCC3CC3)cn2)c1 790275175 VQYISGNDUVFFOU-HKOYGPOVSA-N 429.502 2.331 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@H]2CCN3CCC[C@H]3C2)C1=O 790748698 PLSLSSJPVJRWAS-BZSNNMDCSA-N 449.646 2.374 30 10 IEEE COC(=O)CC1(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCCC1 791784035 RBXPWGHKGBAFIP-HAVVHWLPSA-N 436.534 2.497 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1-c1ccccc1C#N 917800230 YASIHEBTFAXQRW-UHFFFAOYSA-N 432.468 2.254 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1O 1084497425 YWWBPFYKZZIJNK-UHFFFAOYSA-N 431.453 2.022 30 10 IEEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1140926256 QEKLJENDRSJPOU-FCEWJHQRSA-N 438.546 2.112 30 10 IEEE C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336182 DGENKWSEZQTYHI-WCAVRKLYSA-N 439.537 2.463 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)OC)c1 1213670628 FTOLRINPBWUWPQ-LJQANCHMSA-N 442.493 2.411 30 10 IEEE C#CC[C@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1277137696 NVNHKXGHBVXSPR-INIZCTEOSA-N 437.518 2.266 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 1286386398 ZKTCVOVMFQWTBU-IBGZPJMESA-N 438.557 2.262 30 10 IEEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)(=O)CC1 1286612997 MRZJWZBNVWIHFK-UHFFFAOYSA-N 434.562 2.301 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286712073 XRQYSMOWNRDZRY-UHFFFAOYSA-N 432.532 2.470 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1286765615 GVYJAOILIAWTSW-UHFFFAOYSA-N 436.557 2.020 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnnn2C)C1 1286798265 JAWLGDHXYHFEAP-LJQANCHMSA-N 436.520 2.105 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ncc(CC)s1 1286820659 OUVFBFBPXTUAMD-HNNXBMFYSA-N 439.607 2.428 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)ccc1F 1299849075 LERKQTQYCCFPHA-MOPGFXCFSA-N 431.533 2.365 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1299853871 ZBVFHEBHRNJXIE-UTKZUKDTSA-N 434.558 2.413 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC1CC1 1300299257 MVDCCHUWRDJOAU-KRWDZBQOSA-N 438.557 2.414 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](c1ccccc1)N1CCOCC1 1300540729 CKZQNGCSWCYSQN-XMMPIXPASA-N 440.551 2.410 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301499137 YLTHBTIQSOIINX-DLBZAZTESA-N 448.568 2.173 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1301506970 SQDYUPJQUYGUNK-OAQYLSRUSA-N 432.528 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2ccccc2CC1 1301588143 XFQPOFGMVAJJEO-UHFFFAOYSA-N 437.569 2.470 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1301594488 DUGZRUGUZHEFAR-DOTOQJQBSA-N 443.639 2.060 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1302168191 APGKUOKFEURRHK-IBGZPJMESA-N 437.504 2.383 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1303635271 CVNZTAGEAHVENF-HOTGVXAUSA-N 443.556 2.308 30 10 IEEE CO[C@@]1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)CCOC1 1315271842 QKVUSLZOCNBFQG-FZKQIMNGSA-N 437.342 2.447 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1315825038 NZLCJXIUEAEKQM-GOSISDBHSA-N 428.512 2.388 30 10 IEEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1316032851 BKOATOSCRROWEP-KFKAGJAMSA-N 429.546 2.428 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)cc1 1316335814 HOMVNXQCAPXMQS-NRFANRHFSA-N 440.504 2.428 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1 1320187406 PSTNYJSOARUJAQ-INIZCTEOSA-N 434.562 2.043 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1C 1359024008 COIDPSRJCXCSJU-KRWDZBQOSA-N 442.541 2.369 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CC1 1359032853 GBVXOXUWIPDBND-NRFANRHFSA-N 434.544 2.015 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359236027 WQFKEKQTXGTJFI-MRXNPFEDSA-N 449.577 2.256 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359305020 QTXHGNJRGVVREW-IBGZPJMESA-N 449.559 2.449 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)C1 1360034208 CQWSGBCITUVEBR-MSOLQXFVSA-N 440.552 2.021 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1360035236 LXLGFLUCVQBXPQ-UHFFFAOYSA-N 428.558 2.321 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC=CCC1 1360470121 LOASARBGNPUASQ-KRWDZBQOSA-N 428.562 2.349 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)ncc1C#N 1450858472 OQHCVZGWSFWPPG-KRWDZBQOSA-N 425.493 2.355 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)C1 1452492235 VFCLSIGAQFMXER-SVFBPWRDSA-N 433.430 2.406 30 10 IEEE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1460875112 KJUYDMKVWZNCHP-OPRDCNLKSA-N 438.275 2.255 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1 1476733141 ZZOWPMXIPOMTDZ-UHFFFAOYSA-N 447.561 2.274 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCC)c2cccc(C(F)(F)F)c2)CC1 1477748846 WRSLDIPYCORWAT-QGZVFWFLSA-N 446.495 2.341 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1495664240 FAHGPGLTEMIUPE-FLCAKVCDSA-N 428.537 2.323 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1496840844 RHIDBVMXIJSFAI-VFNWGFHPSA-N 428.516 2.098 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1501665040 QEBGVRYALCOWMG-QURGRASLSA-N 447.499 2.244 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4CCC[C@H]43)n2CC(=O)NCC(F)F)cc1 1505317613 AGAQSFQVTWEQPO-DOTOQJQBSA-N 430.459 2.489 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507555131 HPRGQHGYKRCSAO-INIZCTEOSA-N 441.532 2.441 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1507562085 VCSMPGIIZAACNP-IRXDYDNUSA-N 430.553 2.478 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507575771 WCPBWCMMPXXEQP-AVRDEDQJSA-N 433.553 2.399 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1507628236 VYLYLVWLHUHPCD-FQEVSTJZSA-N 442.585 2.411 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507656577 YMEXJARATRAYOE-XUZZJYLKSA-N 436.512 2.277 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1507708547 LDLYZPSJUVBNLZ-HXUWFJFHSA-N 449.559 2.442 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(OC)ccc2OC)CC1 1507723793 UXXNYMFXRGBUJL-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507750258 OEIHMXNCTVXICA-UHFFFAOYSA-N 426.468 2.393 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1507818807 XIQQXVAKXRMFFT-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1507902040 SKBMUKUMTJGJQV-SFHVURJKSA-N 426.496 2.399 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)CCS(C)(=O)=O 1508104442 IKSFWSJRBIPDCS-UHFFFAOYSA-N 429.546 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1508141271 MAYLEUCEOGIFAQ-IKGGRYGDSA-N 428.624 2.493 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1509939944 PCQIHGPIMAYNRP-KZULUSFZSA-N 434.342 2.263 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)n(C)n1 1511662928 BPXOGHHZAAWBEL-UHFFFAOYSA-N 434.548 2.349 30 10 IEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1516052569 FRWJNQCOOZFIOZ-INIZCTEOSA-N 428.493 2.042 30 10 IEEE COCCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1519220532 WQBCWEIGTBZWPQ-UHFFFAOYSA-N 436.516 2.159 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1519289583 BHKFLASKQOGUTA-VGSWGCGISA-N 432.569 2.391 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)c1 1521074682 ANDJJFUCVHYXQL-HXUWFJFHSA-N 428.493 2.084 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)cc1Br 1538982710 LAQCBDWAFLBOIC-INIZCTEOSA-N 427.320 2.125 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1538984935 STJVBBKLACIHLF-LBPRGKRZSA-N 438.351 2.086 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539210656 FKJQYPAFODNMNJ-WOJBJXKFSA-N 441.557 2.114 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2nc(O)c3ccccc3n2)s1 1539360786 JZTLZBRDZSGMDI-UHFFFAOYSA-N 432.527 2.062 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1539430020 GOMTZPAMZXAJQC-MSOLQXFVSA-N 442.530 2.200 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539514689 TWRZJDLYENINBO-MRXNPFEDSA-N 448.593 2.089 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539612933 RVFGUTWERHWXFL-CHWSQXEVSA-N 425.287 2.308 30 10 IEEE Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cnn1C 1542111982 DTDWQYQXTDJUFB-INIZCTEOSA-N 448.579 2.334 30 10 IEEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1542714498 CDWQRUGPFLJMAF-UZLBHIALSA-N 432.525 2.120 30 10 IEEE CC[C@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1546678554 SAYQDKKSYLBHOK-UAFUQJIBSA-N 438.536 2.045 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1548266166 UKQSFQGUIAFXJI-UHFFFAOYSA-N 445.531 2.093 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N(CCC#N)CC2CC2)n1Cc1nncn1C 1554326071 RFVRHTQEFDAOJF-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 1557717019 KTZIFVIKHFZLBO-UHFFFAOYSA-N 427.526 2.363 30 10 IEEE C#CCN(C(=O)NCC(F)(F)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1565109107 AKUOQGCNWJVHEJ-CQSZACIVSA-N 435.290 2.373 30 10 IEEE COc1ccc([S@@](C)(=O)=NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1584722303 GIMODWZIXGRXMW-WTPASJBYSA-N 440.481 2.455 30 10 IEEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCC[C@H](OC)C1 1585224965 GNHWJGKPTZVNKQ-FWYGIPPASA-N 447.919 2.428 30 10 IEEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(=O)N1CCOCC1 1588006113 DQGJXWYIIAUSFI-UHFFFAOYSA-N 445.951 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC[C@@H]2CCCCO2)CC1 1588923878 OVFOJFXSZUXUOB-IBGZPJMESA-N 437.548 2.050 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)NC)CC1 1589097800 YBEBRDNGBUSDPS-UHFFFAOYSA-N 441.601 2.401 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1593741011 IEHSRVIHMNWJHS-NHCUHLMSSA-N 433.597 2.313 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1593764085 XFPTXBBCGFCDBH-HXUWFJFHSA-N 443.596 2.426 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1594713535 DXTFTBYCLIDNRJ-KRWDZBQOSA-N 431.541 2.375 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595878596 QMMSOPSSMZWSIP-GOSISDBHSA-N 436.626 2.086 30 10 IEEE CC(C)(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1597244352 YADWBQSHDPBAKA-UHFFFAOYSA-N 434.566 2.145 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCSC1 1617370568 WUSKKDFQWFCREM-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1620065723 ZCESWXHAZBOGKS-AUSIDOKSSA-N 441.532 2.112 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c1C 1623933696 SNVXELIHUJZVRS-UHFFFAOYSA-N 433.574 2.464 30 10 IEEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCOCC1 1626211131 UGLQQNQHXPHZTA-UHFFFAOYSA-N 426.485 2.054 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 1629310638 RVVQLHQWXLBCFD-UHFFFAOYSA-N 441.594 2.005 30 10 IEEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 1629802300 NCYSBQURUSPOLD-SFHVURJKSA-N 433.574 2.167 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOc1ccc(F)c(Cl)c1 1635916190 PDROTMFTWVJXNM-LBPRGKRZSA-N 425.869 2.213 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 1639928794 HYVAYHYLCRRACR-IMFGXOCKSA-N 433.574 2.461 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1OC 1639963092 SYYKMKGOGQTGEC-LJQANCHMSA-N 445.541 2.403 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCSCC3)c2)c1 1641815019 UVKDSRIAQFLNRO-UHFFFAOYSA-N 429.567 2.362 30 10 IEEE C=CC1(CC(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)CN(C(=O)OC(C)(C)C)C1 1645357581 ZFGMWJIOIWCMEE-INIZCTEOSA-N 431.537 2.389 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](Nc3ncc(Br)cc3C#N)CC2=O)C1 1651492503 LRJQMRNDCWLAID-ZDUSSCGKSA-N 436.310 2.348 30 10 IEEE Cc1nc(C#N)cc(N(C)Cc2cccc(Br)c2OCCS(C)(=O)=O)n1 1651755942 CUNHPUSXGFFARF-UHFFFAOYSA-N 439.335 2.479 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2Cc3cccnc3N3CCC[C@H]3C2)C1 1671494695 DBXXFXALWMDFMC-SQNIBIBYSA-N 426.521 2.335 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)CCOC(C)C)CC3)cc21 1674679980 WRDLOYOJSDYBGM-UHFFFAOYSA-N 435.550 2.127 30 10 IEEE Cn1cc([C@@]2(CNC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)CCCO2)cn1 1685569838 NAJZCSUYTRVVIL-QHCPKHFHSA-N 436.516 2.358 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc(CC)s1 1689944295 OUHUQGLFPYEHHG-UHFFFAOYSA-N 429.937 2.393 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689998349 JWBBMFCVPLOGDR-USXIJHARSA-N 449.602 2.325 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C)C(C)(C)C1 1690040464 BVHLJDCZVZXWTH-UHFFFAOYSA-N 448.571 2.163 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690169946 UDWAZOUSYLYAIF-QGZVFWFLSA-N 427.578 2.090 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1690265427 ORDNAAPKSMXQFM-SFHVURJKSA-N 437.566 2.272 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1690507572 PRLILRWJADHRQL-GOSISDBHSA-N 428.512 2.288 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NCC)CC1 1690643517 DUOQKKNEWNJSMS-UHFFFAOYSA-N 447.584 2.430 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1690668595 BBZLGRIOEQVNJU-YOEHRIQHSA-N 427.534 2.009 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCOC2=O)cc1 1690992877 AUCIGKFJWDKLPD-OAHLLOKOSA-N 425.493 2.017 30 10 IEEE Cc1cccnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1693280247 GYNYQQGPPKFFLQ-INIZCTEOSA-N 439.545 2.148 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nc(C(C)C)cs2)n1 1693429371 HGVMHLHZQGEWSY-INIZCTEOSA-N 426.550 2.497 30 10 IEEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1694180332 DBBAMYMCWMQLFM-IIBYNOLFSA-N 431.562 2.239 30 10 IEEE COCC(C)(C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1697731943 SGQPTKSUSCQNSS-AUSIDOKSSA-N 446.596 2.168 30 10 IEEE CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1698320252 ADPILIAWMQVOQM-IBGZPJMESA-N 442.589 2.426 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1705564722 CGNLOUZPHJJDAH-GOSISDBHSA-N 445.589 2.338 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569328 BWBHTMLPUJXEBL-LJQANCHMSA-N 446.548 2.061 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1705639869 YGKYVZODPYVYTH-UNMCSNQZSA-N 440.567 2.369 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705817804 STASPJFBNPGOCZ-ZWKOTPCHSA-N 425.599 2.246 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705846715 PWKVXWFTCKUIDF-NRFANRHFSA-N 438.576 2.405 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705879573 DMGJBHBIAVVCSF-MRXNPFEDSA-N 444.502 2.037 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705904911 CAQRROMLNINSPX-HNNXBMFYSA-N 446.939 2.101 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCOC2)cc1 1705911909 TZBFUQJICFKGFO-QZTJIDSGSA-N 432.546 2.018 30 10 IEEE CC(C)CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1706477644 FALOKGOEZNUMKZ-QFBILLFUSA-N 427.546 2.075 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1706825369 FUHCNJVKHZHEOE-WBVHZDCISA-N 427.509 2.230 30 10 IEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1C 1706982138 VPMQZXUAZOVOSR-WCIQWLHISA-N 441.532 2.304 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C(N)=O)cc1 1708476810 ANEQCXACJJCZOX-AWEZNQCLSA-N 431.500 2.474 30 10 IEEE CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1708877354 AFIOQKDBLYFFRN-ICSRJNTNSA-N 446.596 2.385 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)c1ccco1 1712525688 QNFSEIMJYMINDZ-MRXNPFEDSA-N 430.509 2.155 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC2)CC1 1712691754 BQOUYSOQGCROST-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1722361431 NCTOZAKZGUORLS-CVEARBPZSA-N 435.500 2.402 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)Nc1cccc(Cl)c1C 1722381177 JPBFKDUMXIVVFY-SFHVURJKSA-N 438.919 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC1CC1 1722395016 NBILYIJEECYKQR-UHFFFAOYSA-N 427.512 2.324 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722419275 VTLBRYUUSNDEPT-CVDCTZTESA-N 430.597 2.111 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC2CC2)CC1 1722434071 IOKQONLYDZNHNI-UHFFFAOYSA-N 430.915 2.019 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1722435604 LTAKXKBBRWVACG-QHCPKHFHSA-N 440.617 2.146 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722460027 BNLWLUUWXBEMSI-NRFANRHFSA-N 429.521 2.405 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCNS(C)(=O)=O)CC1 1722575887 APUSPTSKLCUCQJ-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722618669 UOXFMZLZTGKAEN-DLBZAZTESA-N 434.566 2.297 30 10 IEEE Cc1nnc(CCCn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)s1 1726281122 XGJSQSYJZUAILC-GOSISDBHSA-N 439.545 2.421 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1740554910 XMEUCZQZWKVUMF-IRXDYDNUSA-N 430.553 2.153 30 10 IEEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740577420 CUKXIRXHVUGSPM-HXUWFJFHSA-N 425.533 2.229 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2ccccc21 1740645820 LXFHCUBWBFOGMP-MJGOQNOKSA-N 425.558 2.081 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1740762051 BNXAQFAUHYHJJE-NZQKXSOJSA-N 444.624 2.250 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2cccnn2)CC1 1740956659 XDGWWQDBBXGIEI-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE CC[C@H](C)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCN/C(O)=C1/N=CC=CC1=O 1743554287 CRALCPQUPIPBFJ-MPHHAOFMSA-N 440.552 2.305 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 1746308353 BVCPGGFEEWXGHT-HKUYNNGSSA-N 428.562 2.477 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748667078 MXSRRBJTXKZRIP-ULQDDVLXSA-N 442.564 2.477 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(=O)N1CCOCC1 1748781066 WGUIRWHFGGOASZ-UHFFFAOYSA-N 425.533 2.298 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCn2cc(C)nc21 1748969438 VIZWCCYBXUUTSU-FQEVSTJZSA-N 436.564 2.308 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749104475 UQOWIMXCZZWUMC-ILXRZTDVSA-N 445.383 2.094 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1749219612 NBAWBZWAHDRIQQ-INIZCTEOSA-N 427.505 2.358 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749229663 NQSXGBLXVCYAFW-HXUWFJFHSA-N 441.580 2.498 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1Cc1ccc(C#N)o1 1750914326 LFTXSKXSYZCIOF-WJOKGBTCSA-N 440.529 2.303 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760111937 XFEWQJPAIQBIPC-HZPDHXFCSA-N 426.546 2.166 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1760154557 GHTHIVIVWJKFJH-IBGZPJMESA-N 449.621 2.069 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760186776 GIYXVDBEUWJEPQ-ZWKOTPCHSA-N 431.562 2.068 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1760208187 MDCVFFDPSZVUEH-SFHVURJKSA-N 438.536 2.105 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOc2ccccc2)CC1 1760268917 ZVEDQYOUENYSAV-UHFFFAOYSA-N 432.528 2.328 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C(=O)OC)C1 1760313202 KOXLPSIXFMTOHE-NUJGCVRESA-N 433.553 2.177 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1760464966 SUCNWWRPLHTGNJ-FQEVSTJZSA-N 426.565 2.439 30 10 IEEE Cc1cccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)c1 1762009369 JWDHEAGJOXQZSC-UHFFFAOYSA-N 446.577 2.235 30 10 IEEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1766758073 AZPGKBMDBHHCCC-SRYGVXEJSA-N 443.573 2.216 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2OC(F)F)CCOC1 1767481325 BNZBEQFQRZEVAM-IIBYNOLFSA-N 449.458 2.309 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1768740759 JXANOKLPDGJXCK-CZIZESTLSA-N 437.435 2.235 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1(C)C 1769084544 DKWUBBHWIMRCDW-OAHLLOKOSA-N 436.438 2.356 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C[C@@H]1O 1770628289 WEALGYMJOBWUBW-QMMLZNLJSA-N 441.532 2.131 30 10 IEEE CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772788928 JZAFIBDOJBPAAZ-AWEZNQCLSA-N 434.445 2.366 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)C2)cc1 1772790620 RKQONQCWIPXADO-OAHLLOKOSA-N 428.466 2.150 30 10 IEEE C#CC[C@H](C)C(=O)N(CCN1CCOCC1)c1nc2ccc(S(C)(=O)=O)cc2s1 1848924596 QNDFEQKGAHDOOQ-HNNXBMFYSA-N 435.571 2.024 30 10 IEEE C=CCN1C[C@H](C(=O)N(CCN2CCOCC2)c2nc3cc(OC)ccc3s2)CC1=O 1848974929 GBBCASAHGVQERO-MRXNPFEDSA-N 444.557 2.005 30 10 IEEE C=CCN1C[C@@H](C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)CC1=O 1848976808 YQRCPJOTQAPPFZ-HNNXBMFYSA-N 432.521 2.135 30 10 IEEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 1852080302 GFJADZAUNKPTKE-WOJBJXKFSA-N 435.484 2.132 30 10 IEEE N#CCC(=O)N1C[C@H](CN2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)CCC1=O 1854357650 RZSJOPLTLHYANJ-YJBOKZPZSA-N 437.949 2.180 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)[C@@H](C)C2=O)cc1C#N 1855029628 WTECENRBXIQRHL-ZDUSSCGKSA-N 433.436 2.207 30 10 IEEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1871232570 ITXBWMHEQOETDS-UHFFFAOYSA-N 439.468 2.204 30 10 IEEE COC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(c3ccccc3OC)CC2)nc1C 1872797545 NTXPKTDGPRPXBP-HNNXBMFYSA-N 428.514 2.245 30 10 IEEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873217378 CYOOBJMLGCOAPT-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE O=C(CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(O)cc1O)NCc1ccco1 1874446735 JPMGJHMZYDOKEN-KQFRHJRUSA-N 443.485 2.425 30 10 IEEE CCc1nnc(SCC(=O)N(CC)CC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874522666 FRYHSLGHNBAHMY-RGVLZGJSSA-N 448.505 2.363 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(NCCCN3CCOCC3)ncnc21 1875230001 KLDXHCQFYMKCAR-HDICACEKSA-N 442.564 2.001 30 10 IEEE Cc1c(C(=O)NCC#CCN2CCOCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 1890617099 YJXDAJIODAKPLF-UHFFFAOYSA-N 439.497 2.345 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 1993334665 LCEZITYOADOQEZ-UHFFFAOYSA-N 427.542 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2033803250 MPDZQTFNGHLFJG-MJGOQNOKSA-N 432.370 2.303 30 10 IEEE CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633568 PAEOZUUHWYQPLE-QGZVFWFLSA-N 434.342 2.224 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C[C@H](CO)C1 2073620213 SXEANVZRWDSYOD-KXMBVRIMSA-N 436.358 2.203 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1 2080358558 OMZOJSAQNPOYTG-UIGNOHPXSA-N 448.487 2.367 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cccnc1C#N 2195271288 GTJUOUZKGIRRRH-QGZVFWFLSA-N 431.470 2.026 30 10 IEEE N#CC1CN(S(=O)(=O)Nc2ccc(Br)cc2I)C1 2223666834 LGXYYYHXKMLHQR-UHFFFAOYSA-N 442.076 2.166 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@]34C[C@@H]3CN(Cc3ccccc3)C4)ns2)OC1(C)C 2247920177 XCBRFDMQEKBSMR-ZHRRBRCNSA-N 425.363 2.447 30 10 IEEE C=C(CS(=O)(=O)NCC1(F)CC(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962290 MJJJSHMYQABNCH-UHFFFAOYSA-N 448.366 2.489 30 10 IEEE C[C@H]1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1NC(=O)C(F)(F)F 2254792677 XSTYVZPYKIIKFE-AAEUAGOBSA-N 431.239 2.413 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255817824 BNYRZXXSPOLLOI-YPMHNXCESA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255838514 HJQMMWZGAUDGQU-YEJXKQKISA-N 449.382 2.429 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267014583 AUJGXZPXJHRPDT-IBGZPJMESA-N 438.381 2.360 30 10 IEEE Cc1ccnc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267145137 BHIFQVIKCFTTHT-CMJOXMDJSA-N 443.353 2.428 30 10 IEEE CC[C@]1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2267168648 SZHBQEBUGUGPPY-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267503762 IVYSNIJIOUORKS-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)n1 2267524475 QMYLQCIFNOBUIG-JOCHJYFZSA-N 448.373 2.332 30 10 IEEE Cn1nc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2267549576 NJTUBBLZMGBDAS-JOCHJYFZSA-N 448.373 2.143 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)OC1(C)C 2267590419 OMJSFFWCVLGQAW-DEOSSOPVSA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872580 JRBNSSVCPXJIHJ-LSDHHAIUSA-N 446.357 2.199 30 10 IEEE CCC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267881606 IYTMIKZXXZUFIX-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2268639967 SUNUSQRAIHIVFP-MRXNPFEDSA-N 444.341 2.001 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)COC1 2268711944 PLAZUHLSAVVTNX-UHFFFAOYSA-N 444.337 2.169 30 10 IEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2269834311 GFMIZXOSIPDZEB-MRXNPFEDSA-N 448.369 2.334 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303625263 AXCOCSJOGSBFBA-INIZCTEOSA-N 432.351 2.140 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2312856726 NQFHQYOEKWONKY-RRQGHBQHSA-N 429.326 2.118 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccco1 2330793179 HYMFLVZOIZLLLF-AWEZNQCLSA-N 426.502 2.359 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc(F)c1 2330794242 IATWYXKOYCXOSW-UHFFFAOYSA-N 440.504 2.344 30 10 IEEE C[C@H](C#CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O)NC(=O)OC(C)(C)C 2366840679 AEVYRTNYNIHBBS-DOMZBBRYSA-N 439.306 2.478 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(Br)c2)c1 16557509 VWYSJTSMUZBJAX-UHFFFAOYSA-N 436.283 2.400 30 10 IEEE C=CCS(=O)(=O)CC(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 71541791 VMRLXUJMPHAKLD-SFHVURJKSA-N 425.503 2.058 30 10 IEEE C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 430936375 UQKHISUWEQRLDK-PMTGJVGFSA-N 426.517 2.027 30 10 IEEE N#CCCC[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 433023685 SKVOKGDIAMDXRH-ACRUOGEOSA-N 433.574 2.206 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)CC1 441212447 SKOKDJCGWAQPPB-ROUUACIJSA-N 439.516 2.203 30 10 IEEE N#CCc1ccc(OCc2cccc(NC(=O)N3CC(n4cc(C(N)=O)nn4)C3)c2)cc1 467171692 UYTGWKXCTXVDHM-UHFFFAOYSA-N 431.456 2.111 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@H]1CCCO1 477440276 RUVZUNFVMQFOLE-UONOGXRCSA-N 432.567 2.277 30 10 IEEE C[C@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)C[C@H](C)O1 488697380 PITRFIMFRRRSPU-GJZGRUSLSA-N 431.489 2.425 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 502630551 AYXIKYUHDFPBIN-QFIPXVFZSA-N 430.505 2.157 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 511780861 YHOBVTWEBLTKGI-OAQYLSRUSA-N 442.523 2.310 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 522318842 WFYPFBXWBODUGM-UHFFFAOYSA-N 437.382 2.356 30 10 IEEE COc1ccc([C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c2nccn2C)cc1 539183626 MVMWGZFAIFYBJV-KRWDZBQOSA-N 435.488 2.096 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 540967037 JPWVJJJGFAHRBK-FUHWJXTLSA-N 429.912 2.063 30 10 IEEE N#CC1(NC(=O)c2nccc3c(S(N)(=O)=O)cccc23)CCN(Cc2ccccc2)CC1 542173312 UWITZBYWQVMLPQ-UHFFFAOYSA-N 449.536 2.170 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 542346825 BMVUWMDCBKETBZ-QGZVFWFLSA-N 445.516 2.492 30 10 IEEE COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 547308754 IXDYZFDXFCBWDI-UHFFFAOYSA-N 439.859 2.783 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC(=O)Nc2cc(C(=O)O)ccc21 547906400 OTMVXOJFDYNOQV-UHFFFAOYSA-N 425.344 2.423 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 554171344 BEBRKFZGXHCEFA-SFHVURJKSA-N 428.514 2.187 30 10 IEEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C[C@@H](C)O1 556326428 HCGHYEVGCUFQRO-ZIFCJYIRSA-N 449.511 2.185 30 10 IEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCN(C2CC2)C1 570851754 STSUIWGUCZLTNK-KRWDZBQOSA-N 429.594 2.406 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)ccc1C#N 573651848 MTNAIHCYGBHUMN-FXAWDEMLSA-N 427.549 2.089 30 10 IEEE COc1cc(CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)ccc1C#N 581755560 RZSQJSSSOFCOGE-MRXNPFEDSA-N 429.502 2.322 30 10 IEEE CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H](c1ccc(C)cc1)n1cncn1 586859996 OOUFVSAIKIOCBQ-LEWJYISDSA-N 434.475 2.398 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)CC1 590618312 ZISXXZYMLSLTRG-UHFFFAOYSA-N 434.525 2.434 30 10 IEEE CCOc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccoc3)c2=O)c1 743733488 JTFWWHPDEMIBEQ-UHFFFAOYSA-N 435.505 2.016 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 747981896 YKIPQRZIDHAWBK-UHFFFAOYSA-N 437.466 2.240 30 10 IEEE N#C[C@@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)CCN1C1CC1 765456521 CGWQHMWXOHYWDO-GOSISDBHSA-N 449.540 2.272 30 10 IEEE C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCCN/C(O)=C1/N=CC=CC1=O 772982328 ICBFSPSAOYUNTR-GHXQLAGASA-N 426.395 2.418 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 774036309 MLBSBEFYHMXXGN-CYBMUJFWSA-N 448.419 2.069 30 10 IEEE Cc1cccc(N2CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 780176908 QSUNGOWOUIMXDV-QHCPKHFHSA-N 429.517 2.449 30 10 IEEE Cc1cc(N2C[C@H](C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)ccc1F 787055728 CCKDCWDDVKOBMT-QAPCUYQASA-N 438.415 2.421 30 10 IEEE C#CCN1CCC(C(=O)N[C@@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)CC1 789721374 RMBYCVVZKOBBFB-RTWAWAEBSA-N 439.556 2.132 30 10 IEEE N#C[C@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1cnc2ccccc2n1 792111576 VGWUXUPJKSDZBO-JTSKRJEESA-N 425.448 2.282 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2C=C[C@@H](NC(=O)OC(C)(C)C)CC2)cc1 796976466 SJFXYNKRBUHUMG-SJORKVTESA-N 434.514 2.367 30 10 IEEE COCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802520617 ALDCPSBQPVXPEL-UHFFFAOYSA-N 433.516 2.405 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 804455619 JMNDWHRLRGWKQY-HXUWFJFHSA-N 428.558 2.178 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 804455802 ZSRPQPPOZQDADE-NQIIRXRSSA-N 441.509 2.499 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(CO)c2cccc(O)c2)cc1 808820132 VQLOJXKKSDHDNI-WGHBEHPSSA-N 446.529 2.234 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 809917174 GWAHVMJAVXLZIL-QZTJIDSGSA-N 448.568 2.077 30 10 IEEE CC(C)N1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](c2cnn(C)c2)C1 849481901 OMKXOVFLLNNVNX-BJKOFHAPSA-N 434.588 2.450 30 10 IEEE CCCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 914988342 UTINFZHOWBHBSY-UHFFFAOYSA-N 426.473 2.372 30 10 IEEE N#Cc1ccc(NCCNC(=O)N2CCN(c3ccc(Br)cn3)CC2)nc1 916521273 XQUZNGDQPPXTEM-UHFFFAOYSA-N 430.310 2.054 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1130689494 CVWRFQDVVYZOKZ-ZFWWWQNUSA-N 436.306 2.225 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1132192888 SFZPSGFGJOLEGY-RHSMWYFYSA-N 446.928 2.417 30 10 IEEE COc1ccc(NC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 1132759791 GBJOANIZIRZNRT-UHFFFAOYSA-N 437.518 2.320 30 10 IEEE C/C(=C/C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)CN1CCOCC1 1136331913 PUFKDBFDIUIWMI-FLSLANSGSA-N 448.589 2.497 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 1146246772 FNLCSQNNHWNPPD-KDURUIRLSA-N 437.496 2.382 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCNC(=O)[C@@H]3c3cccc(C)c3)ccc2c1=O 1148667953 PWEIPBAPQXRYGO-IBGZPJMESA-N 434.521 2.493 30 10 IEEE C=CCOC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)OC 1155780012 WWLBWYPCZIZSIE-OALUTQOASA-N 445.516 2.464 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)cc1 1155898949 MHWCJRJYUZZYRQ-UHFFFAOYSA-N 437.443 2.497 30 10 IEEE CN(C)CC#CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1170993618 HLQQMMREUDSABI-KOSHJBKYSA-N 447.535 2.052 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCOCC)c(C(C)C)c1 1185674145 GCCOOSHVQZCGGY-KRWDZBQOSA-N 443.587 2.036 30 10 IEEE N#Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc1Br 1197278913 DHMUILRZIPJARU-GXTWGEPZSA-N 434.315 2.290 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1248484952 LSUFBPBSYDAIQC-VGSWGCGISA-N 445.520 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1286293873 TXWPWOCETOLXLS-ZWKOTPCHSA-N 447.580 2.392 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC(=O)N1 1286402345 WHEUFFAKYFSBGS-CQSZACIVSA-N 442.317 2.068 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286448033 VWTMSWJWEOZSTE-UHFFFAOYSA-N 443.555 2.072 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286509224 WPCUHGGOYJUWQF-MOPGFXCFSA-N 425.558 2.364 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)OCC 1287776034 HTNLOQIVBDQSOM-QZTJIDSGSA-N 442.965 2.419 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1293849206 ABIFGYQNLBWEFR-HJPURHCSSA-N 437.548 2.071 30 10 IEEE CN(c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1298117808 NEJNJJBYRFEKDH-OSCRUYLVSA-N 442.907 2.350 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1300323181 XLXZDLBTUGKAIR-MRXNPFEDSA-N 430.553 2.258 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)cc1 1300466354 WWSFWEBMLIVNBZ-HNNXBMFYSA-N 437.363 2.255 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)C(C)(C)C 1300522368 DVDWPGLBEPBYCK-UHFFFAOYSA-N 444.557 2.248 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1300587697 YBIPKUNIWCEQTF-OAQYLSRUSA-N 433.556 2.135 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301221676 NFDYQWSJZDGDII-MRXNPFEDSA-N 434.566 2.396 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1301399545 PRPJKKCXRLCDSG-NTKDMRAZSA-N 439.560 2.289 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1301415665 ZBAVPKWKVVYSCL-MRXNPFEDSA-N 449.533 2.317 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)NC)C1 1301542668 PYKZEPNSAIVMJB-INIZCTEOSA-N 431.518 2.022 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301589654 VPANZQVQBNVDRZ-QGZVFWFLSA-N 439.626 2.161 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H]([C@]4(C)COC(=O)N4)C3)ccc2c1=O 1303765045 IQVUOYIGGFAFJK-QKKBWIMNSA-N 428.514 2.222 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C[S@](C)=O)cc2)n1 1304485024 HPZWJOUJPMFTHG-KKIUXKEOSA-N 436.541 2.304 30 10 IEEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC=C(Br)C1 1314934628 KTGRBFVVDWMAGI-UHFFFAOYSA-N 425.294 2.482 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1314950442 HHCOYZNACLWFFA-ZDUSSCGKSA-N 428.447 2.275 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1316010015 UNBNDJNHIWDUAH-KRWDZBQOSA-N 426.521 2.212 30 10 IEEE N#CCC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 1316535799 AZBONERTEOZFDW-UHFFFAOYSA-N 440.523 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1358870138 GMBNPYJPCNCBOL-OKZBNKHCSA-N 439.564 2.271 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1358871629 IFOGNRJZPUDKSU-KGLIPLIRSA-N 437.516 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1358871735 JNXHOKIGSCPOPC-OLZOCXBDSA-N 443.932 2.218 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(-n2cncn2)nc1 1358896001 VPTKGVYXRWZYJW-SFHVURJKSA-N 428.500 2.382 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1358931836 PSUSRJRSPJELIN-UHFFFAOYSA-N 434.588 2.335 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1358962762 WMRDILQEFCBAPP-PMACEKPBSA-N 433.622 2.437 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358966121 ICPZBTOMFAVAOH-FPOVZHCZSA-N 443.617 2.030 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1358999700 AHNJXTCUEXEYNU-CYBMUJFWSA-N 440.367 2.159 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1nnc(C)s1 1359021216 GTAUVIJMLJMYJV-UHFFFAOYSA-N 440.529 2.205 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[S@@](=O)CC)CC1 1359029869 JHUSAACXLMCBBG-PMERELPUSA-N 425.602 2.272 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359055275 YMNIWQRYRUREEU-MRXNPFEDSA-N 442.618 2.385 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(OCC3CC3)c2)CC1 1359159123 NRUMZQXWAAUPBN-INIZCTEOSA-N 446.577 2.277 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1359265594 IQLYXLPINDGHIK-FDFHNCONSA-N 444.624 2.349 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccs2)CC1 1359300089 SZLHXSWDFBUNJK-SFHVURJKSA-N 430.578 2.206 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)n2)C1 1359321345 FFYOIVFJJKIIRB-UYAOXDASSA-N 445.589 2.298 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359333057 NANNJWYVUMQAHY-UHFFFAOYSA-N 442.589 2.025 30 10 IEEE C#CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]1CCOc2ccc(Br)cc21 1360311522 WWHIQFWJKJRANY-OAHLLOKOSA-N 429.336 2.016 30 10 IEEE Cn1ncc(Br)c1CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1361021286 IHRTZYUDUNYCHE-UHFFFAOYSA-N 439.317 2.494 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCS(=O)(=O)N2CCCC2)cc1C 1439674098 AXTAJAVDHBHXNH-UHFFFAOYSA-N 429.546 2.236 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cnn(C)c2)C2(CCOCC2)C1 1449897861 SZRSIHMOPMUKIL-RTBURBONSA-N 430.549 2.449 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](c1ccccc1)[C@@H](C)O 1454101376 LBULAEZUDZWWTF-BPAFIMBUSA-N 429.542 2.378 30 10 IEEE COc1ccc(-n2cc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)nn2)cc1 1457670163 SUCTZUUPUXMAQD-GOSISDBHSA-N 428.493 2.479 30 10 IEEE COc1ccc(NC(=O)COc2ccc(C(=O)N3CCO[C@](C)(C#N)C3)cc2OC)cc1 1463090633 MSQYTMGDFNEZEV-HSZRJFAPSA-N 439.468 2.476 30 10 IEEE C#CCN(C(=O)Nc1csc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1467178022 STWAUNJUMKXTRL-UHFFFAOYSA-N 442.563 2.262 30 10 IEEE CN1C[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](c2ccccc2)C1 1469367632 CCBGKXIAIQQQJI-HJNYFJLDSA-N 445.523 2.225 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1471516375 ATIGFCMUSRXGNA-GOSISDBHSA-N 444.507 2.191 30 10 IEEE Cc1nccn1CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1492710893 FQAASZGFVJBQJX-KRWDZBQOSA-N 434.552 2.253 30 10 IEEE CCN(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N)C1CC1 1502195005 AJHRDGNRANHWOU-INIZCTEOSA-N 434.548 2.415 30 10 IEEE CCOc1ncccc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1502930855 MIQHSXLQOGDRFV-KRWDZBQOSA-N 425.518 2.205 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCO1 1504735160 KSOWGXXKKWXZPH-UYAOXDASSA-N 427.505 2.007 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)C[C@H]1OC 1505114079 ICJXOPLLZVOLIH-NRSPTQNISA-N 441.532 2.110 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507594850 JVXGPXJTWJTNDR-UHFFFAOYSA-N 449.552 2.270 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507926377 DYTJNWDNTPCQMY-INIZCTEOSA-N 431.562 2.372 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1508032331 DMCWMOGMOAHNPT-QZTJIDSGSA-N 434.562 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CC1COC(C)(C)OC1 1508136912 WKBNGVRXYLMOOT-UHFFFAOYSA-N 434.562 2.381 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1508406834 JPLVOHQOUWBVKS-KKSFZXQISA-N 449.531 2.318 30 10 IEEE CC(C)Cc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509170192 BIMYELOJRRETFB-KHOFPDMRSA-N 442.564 2.256 30 10 IEEE CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1509271087 CBFMBKVHLJHYLD-UHFFFAOYSA-N 449.559 2.180 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H](C)c1ccccc1 1509695984 OYANSYYFFICALO-PKOBYXMFSA-N 426.521 2.313 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2cccs2)CCOC1 1509813513 CXTCXPLQRCPFGD-ZLGUVYLKSA-N 447.561 2.017 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1509939225 KSWUBMOJECLANW-ZDUSSCGKSA-N 437.342 2.326 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCOC[C@@H]1OC 1513371664 FUCRVJANJNZCAL-TVTNDZMWSA-N 432.569 2.378 30 10 IEEE N#Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1Br 1514635919 ALQHPHZMEDKHEJ-UHFFFAOYSA-N 446.261 2.352 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1 1517326105 ICYPZQNTIPLHOE-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1518971339 DOYHYXAXYFEBPV-IIBYNOLFSA-N 431.562 2.458 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1519370818 UHSKEIMVJIGDSK-NRFANRHFSA-N 435.532 2.425 30 10 IEEE CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1520669317 CGTYBDLKMCQJGF-INIZCTEOSA-N 428.920 2.424 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 1524216342 UTNQWINMNJSWDL-KRWDZBQOSA-N 426.517 2.046 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)C2CCCC2)CC1 1536415446 HWVHLMDCIBESDR-SFHVURJKSA-N 433.530 2.072 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCCC1 1539178572 IQOHOYUTZZVNAR-DLBZAZTESA-N 433.603 2.148 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539215401 BAIFBSSXHRNNPR-SFHVURJKSA-N 443.573 2.092 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1539525149 UZYIZXJBRRCGLD-UHFFFAOYSA-N 435.601 2.490 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1nc2n(c1C#N)CCOC2 1539553528 NCEJDXNUFPWTHG-OAHLLOKOSA-N 443.529 2.409 30 10 IEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540013695 UQCASZUJSFMKJC-UHFFFAOYSA-N 434.548 2.463 30 10 IEEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1540793457 NYDYTOJVIXUVDG-UHFFFAOYSA-N 439.887 2.310 30 10 IEEE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1541002150 RTSFHHPAUPWXFC-JXFKEZNVSA-N 439.564 2.077 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C#N)o1 1554468837 FTVCHNICTYNPSV-UHFFFAOYSA-N 446.309 2.131 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)CC1 1557604557 VPXCYPCRMSREGF-UHFFFAOYSA-N 428.510 2.405 30 10 IEEE N#Cc1ccc(N2CC[C@@H](N3CCC(C(=O)NCCCN4CCCCC4)CC3)C2=O)cc1 1559668254 UAGZVBSULALXHO-HSZRJFAPSA-N 437.588 2.368 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1564847344 LCIPHFBCYJDBON-VQTJNVASSA-N 436.597 2.435 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)cc1 1585446431 TXYJJLNLYQRCGZ-KRWDZBQOSA-N 426.454 2.258 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCOCC34CCCC4)CC2)cc1 1586528495 VNGFWJZJBQXDRD-HXUWFJFHSA-N 431.558 2.424 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1587712295 RNRVIUHRYBMBAL-HNNXBMFYSA-N 446.353 2.063 30 10 IEEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588284202 OJIBIFCMSMJDTD-INIZCTEOSA-N 427.530 2.432 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1594799027 YCJBUFJAXPILLX-QGZVFWFLSA-N 441.532 2.366 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1594857162 JJILYOKNFFVWKI-LSDHHAIUSA-N 444.602 2.060 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CCOC2)CC1 1595497183 SKNAABFFXCXBDN-SFHVURJKSA-N 440.504 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccc(Cl)cc1 1595529685 DCKFCORDUKTOOT-UHFFFAOYSA-N 427.896 2.206 30 10 IEEE C#CCN1CCC(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1596610802 XIJNVVAPZZTDSZ-UHFFFAOYSA-N 427.364 2.215 30 10 IEEE O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1610401736 OUNZMMBRPFGUFT-UHFFFAOYSA-N 427.298 2.391 30 10 IEEE C=CC1(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CN(C(=O)OC(C)(C)C)C1 1611129163 NOTIEVLGQZDLMX-NRFANRHFSA-N 428.489 2.298 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NN2C(=O)c3ccccc3C2=O)C1 1611129402 PAEPVZZSEAELDV-UHFFFAOYSA-N 425.242 2.084 30 10 IEEE C#CCN(C(=O)c1cnn(C(C)(C)C)c1I)C1CCN(C)CC1 1611145149 ICVDGKHMFQVYPX-UHFFFAOYSA-N 428.318 2.412 30 10 IEEE CC[C@H](C)c1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613248612 YQVVUULNHYKKPU-XOMICKMZSA-N 429.569 2.285 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(CC(=O)OC)Cc2cc(OC)cc(OC)c2)c1 1615285332 CYPVCTMWCHUFDV-UHFFFAOYSA-N 439.468 2.008 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1ccnn1 1616472727 BJNUHYMVMCKCTH-NRFANRHFSA-N 440.483 2.380 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1620001929 LQJSHTLYXJTMPM-IERDGZPVSA-N 430.509 2.042 30 10 IEEE C#CC[C@H](CO)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1625387039 ITIBJBFWPSCNQA-JOCHJYFZSA-N 442.581 2.346 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1626187848 KCOWDESTKXNQME-MRXNPFEDSA-N 426.922 2.199 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](O)CN(C)C(=O)OC(C)(C)C 1632769069 LMYLMTQOVFATDX-KFKAGJAMSA-N 444.532 2.034 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 1633938306 UJBJSZOMNJHIPC-OAHLLOKOSA-N 449.554 2.414 30 10 IEEE CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)CC2 1636585981 DZPDIOUOIRNXSE-FGZHOGPDSA-N 426.561 2.484 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)C1 1638074585 HSKXGABCYFWBBO-SFHVURJKSA-N 436.541 2.287 30 10 IEEE Cc1cc2c(cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)sc(=O)n2C 1640210425 XWZLJNKYVUQRPD-GFCCVEGCSA-N 430.511 2.086 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)O)cc21 1645806577 AWGXDZROFKNDPD-QRWLVFNGSA-N 428.514 2.197 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](CC#N)C(F)(F)F 1645927034 RJAYCVKNHXXWAJ-WCQYABFASA-N 427.445 2.186 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CC#N)C(F)(F)F 1645927036 RJAYCVKNHXXWAJ-YPMHNXCESA-N 427.445 2.186 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCc4c(sc(N)c4C#N)C3)CC2)C1 1648528921 VMJZYLGHRVWTOX-HNNXBMFYSA-N 429.590 2.057 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)c1 1660893593 ZHHRQWUNIFBDLD-NDEPHWFRSA-N 445.444 2.488 30 10 IEEE C#CC[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)C1 1667576040 XPFAGZLBDQVPSG-GOSISDBHSA-N 448.589 2.431 30 10 IEEE CS(=O)(=O)CCOc1cccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1668019063 GHIGAFPGEQMQDR-UHFFFAOYSA-N 446.504 2.475 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 1670762273 DJMXJINIVQZPHG-VZEFYGNVSA-N 434.518 2.359 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 1684424907 HMBRVCKJLUEJGF-HNNXBMFYSA-N 428.316 2.264 30 10 IEEE C#CCN(C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1687837984 BATZHCHDCKOCHX-ROUUACIJSA-N 441.594 2.246 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689992985 SOHVBQZOSKKFBD-RBUKOAKNSA-N 444.532 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690046502 CIQOZOGLFMFRCD-VAMGGRTRSA-N 446.617 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1C 1690250843 MDOHYDPGYHQNDP-UTKZUKDTSA-N 427.553 2.060 30 10 IEEE C=C(C)Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1690296634 BXMVFRHXAIOVGU-KBXCAEBGSA-N 431.459 2.011 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)CC1 1690399072 MXYYFYVWXYQAPV-QHCPKHFHSA-N 433.597 2.443 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NC(C)C 1690611270 GVBGGBUVYIEMLP-UHFFFAOYSA-N 439.358 2.210 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690723585 WIAAZCTVQJCBEH-KRWDZBQOSA-N 432.594 2.339 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1692579437 AYQWZMAAFVLPFA-SIKLNZKXSA-N 433.553 2.254 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1Cc1ccc(C#N)o1 1694547084 HEYBAOSANZQTMK-UHFFFAOYSA-N 449.515 2.394 30 10 IEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)OC 1697758101 VTKMPWRKKDUXEK-VQTJNVASSA-N 440.548 2.219 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCCC1 1705489742 VKNZRVBYRSLJFP-ROUUACIJSA-N 443.621 2.428 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705560991 PIVFGBLEZUYIHF-VQTJNVASSA-N 429.590 2.331 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc(C(C)(C)C)s1 1705574942 SSBBCYMSVXQZSL-NRFANRHFSA-N 428.562 2.200 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1([S@@](C)=O)CC1 1705618455 IEHAISAFJPNPOX-SSEXGKCCSA-N 431.537 2.106 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCCOC)CC1 1705679285 ILMTUAHEUKRFHU-UHFFFAOYSA-N 444.374 2.347 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1705883994 BSANNBLBUIVTQN-LJQANCHMSA-N 442.564 2.091 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCc1cnccn1 1705901254 GPFJTDRDFVMZCI-UHFFFAOYSA-N 444.499 2.371 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705908299 MXLTXNCERQDKNY-FUHWJXTLSA-N 429.496 2.304 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908886 XLDXFEGMNJNPBY-WCXIOVBPSA-N 430.553 2.340 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1705947664 UAYRJEGEAMKWLO-UHFFFAOYSA-N 433.553 2.222 30 10 IEEE CC[C@@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1708326908 HDXFIVHVONWUGA-VGOFRKELSA-N 448.568 2.487 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1708607167 WCHNNNDLRVADKC-QUCCMNQESA-N 438.580 2.106 30 10 IEEE CCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1709690377 PWIABHYEFJZVFG-LDSGZGKSSA-N 438.488 2.163 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2conc2COC)CCOC1 1710463423 FEHWYTPFFVTAGQ-LEWJYISDSA-N 430.509 2.243 30 10 IEEE COc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1711851652 HXVZAHGIMMCTOR-LJQANCHMSA-N 434.500 2.253 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1712090975 DLBCQFJHYFDCOV-KVSKMBFKSA-N 447.561 2.138 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722324581 URJYUGQKNNETTA-INIZCTEOSA-N 429.496 2.441 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1722367489 LWLGTYGMVLOXKS-ZWKOTPCHSA-N 445.614 2.418 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1722372478 XPXBVXRKQFIDQE-IBGZPJMESA-N 430.578 2.123 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(N(C)C)CCOCC1 1722427233 RXNRDPZUDHLVNC-UHFFFAOYSA-N 429.540 2.205 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1722445574 YZTYDNHPGZAQHE-KDURUIRLSA-N 444.624 2.041 30 10 IEEE C=C(Cl)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558127 FNWNAQZKPRVDGS-HXUWFJFHSA-N 426.945 2.457 30 10 IEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722736203 UMQJLYBUWKGYOB-MRXNPFEDSA-N 428.562 2.429 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)C1 1724003261 BOPYODCDDBDJFB-KRWDZBQOSA-N 445.329 2.243 30 10 IEEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1726536740 AEGUZGLECNHTNQ-AOMKIAJQSA-N 443.573 2.381 30 10 IEEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1727333339 HSCDUMSTPLYMPC-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(CC#N)CC2)n1Cc1nncn1C 1729565715 NJCNTQMOPLWAPT-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1730706015 ZICWVAXOQDVPBR-LJQANCHMSA-N 447.561 2.169 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCOCC(F)F)c1 1731183063 RBENUSOVJUCTTF-DLBZAZTESA-N 430.459 2.203 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1731183324 YUVGGPWDDKXDMN-LIRRHRJNSA-N 431.859 2.029 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O 1740541099 RVNPWKJDYLLRAZ-NSHDSACASA-N 446.396 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740544194 ACHGMFUWCXFWRM-IRXDYDNUSA-N 438.557 2.233 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1740600153 JIXVPZFLKFYMOZ-MWTRTKDXSA-N 426.517 2.380 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 1740625702 HSKBSVLZYCSMIV-GOSISDBHSA-N 440.573 2.189 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1740724732 HXYQIIIQOZMIKO-DBXWQHBBSA-N 436.626 2.001 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740752712 ZUCGNZFLEHLRBE-DFEOGRTESA-N 426.521 2.114 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1740920681 TWDGNVXORNMMRN-LJQANCHMSA-N 449.552 2.497 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1740941498 MOBQSEUHTQMADQ-MOPGFXCFSA-N 445.589 2.334 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1740964385 ODAWAYUTXZUQML-HSZRJFAPSA-N 441.532 2.175 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)C1 1740973203 SLJISEKGSUQADJ-HUUCEWRRSA-N 425.580 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2nncn2C)C1 1740978642 ZWJHLUZXIUJFRJ-KRWDZBQOSA-N 439.520 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1740992942 WEVRYQQWVMXOFY-IBGZPJMESA-N 441.557 2.423 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740996330 LWQTXHOSZJGVHT-JHJVBQTASA-N 441.545 2.442 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1741688402 QBSRGKDIZULQMW-MOPGFXCFSA-N 430.516 2.393 30 10 IEEE CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1745908587 YXBPNMSJCHFUKZ-RBUKOAKNSA-N 428.562 2.477 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)C(=O)NC 1746882187 DYFYLRNVADIMKV-JOCHJYFZSA-N 444.511 2.470 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1748752659 ZRYLBIBVJOHUBC-QZTJIDSGSA-N 445.564 2.448 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 1748978967 SCZDIQBJANJOBP-JTSKRJEESA-N 444.605 2.254 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCCNC(=O)OC(C)(C)C)CC1 1748984739 ZEDWQPJBNKVVPU-UHFFFAOYSA-N 441.580 2.344 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749038279 PSBRYJJELODVLK-ZNMIVQPWSA-N 432.562 2.274 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749040272 SEJADTUHUBDTPC-QFIPXVFZSA-N 437.573 2.116 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCCC1=O 1749475853 RDOITNZDASEELY-UHFFFAOYSA-N 435.536 2.336 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1749669485 LKMMUKRXUMUQQD-LEWJYISDSA-N 438.576 2.043 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1749689178 AJHUZGIOBKSIAC-SFHVURJKSA-N 446.573 2.409 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1760249859 BFELVZSVGPETGS-NFBKMPQASA-N 428.508 2.432 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@](C)(O)c2ccccc2)CC1 1760261750 WICQGHCGUKOSAJ-RUZDIDTESA-N 447.587 2.193 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCCOC)CC1 1760267864 DCFYKBFKYBJLNW-UHFFFAOYSA-N 425.533 2.346 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CSCCS2)CC1 1760268100 CGBANYITMKQFQF-INIZCTEOSA-N 430.603 2.088 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCSCC#C)CC1 1760271816 NDMGPEYFMGNCEA-UHFFFAOYSA-N 427.599 2.263 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760452211 HXASGUPQMQTGIY-SFHVURJKSA-N 427.553 2.241 30 10 IEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@](C)(C#N)C1 1766848727 RZSWIMBDYROCPH-YCRNBWNJSA-N 443.596 2.202 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1767634301 IEDOOESLHKYFJL-VGOFRKELSA-N 427.505 2.146 30 10 IEEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)C(F)(F)F 1768060659 NYZUIIPEPGVNGY-CKEIUWERSA-N 449.499 2.278 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1CC1 1770044348 MDUYLMPYVJASBA-IAGOWNOFSA-N 440.552 2.179 30 10 IEEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)C1 1770126308 HRRQLWZWCWQINE-IBGZPJMESA-N 427.505 2.007 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCc2ccccc21 1771111295 GGCMIMBXJQASBT-GOSISDBHSA-N 434.548 2.496 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC[C@H]2CCOC2)CCO1 1771539092 NGFGXFDBVNOILM-YLJYHZDGSA-N 445.495 2.168 30 10 IEEE N#C[C@H]1CN(CC(=O)N2CCN3C(=O)c4ccccc4[C@@]23c2ccc(Cl)cc2)CCO1 1851246926 VYXBKFBBJBPFPI-MBSDFSHPSA-N 436.899 2.063 30 10 IEEE Cc1nn2c(NC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccccc45)C3)ccnc2c1C#N 1853170265 XGPKKAFADBJHAD-MRXNPFEDSA-N 427.468 2.420 30 10 IEEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCOCC2)c2ccc(F)c(F)c2)CC1 1853542380 YLNFVATYYYVSPB-UHFFFAOYSA-N 429.489 2.003 30 10 IEEE C=CCN1CC[C@@H](N2CCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)C(=O)C2)C1 1853729320 MKWDMFJTSDFEFH-QGZVFWFLSA-N 429.952 2.090 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)c(C)c1 1855807000 MDXVRICPUDKXIE-KRWDZBQOSA-N 425.510 2.166 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3ccc(Cl)cc3F)C2)C1 1856384618 OFPIMWPFBRLJQF-CYBMUJFWSA-N 428.851 2.498 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)CSC3CCCC3)C2)C1 1857471776 NEZCWYCFNNYWON-INIZCTEOSA-N 428.558 2.457 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862676586 MOJVXLIIBMSRDG-GOSISDBHSA-N 427.388 2.448 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(CC)nn2CC 1864327307 SSEAOKVDMCBFJA-SFHVURJKSA-N 426.517 2.487 30 10 IEEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868743692 QKMZEJDHUWAZPU-QFIPXVFZSA-N 449.573 2.294 30 10 IEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C3=Cc4ccccc4OC3)cc2)CC1 1870162044 JIHPPVRAMUKRHJ-UHFFFAOYSA-N 441.495 2.305 30 10 IEEE C=CCOc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)OCCC 1874435371 CCQFRHOQORQOSK-WSDLNYQXSA-N 431.518 2.407 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3cccn(Cc4cccc([N+](=O)[O-])c4)c3=O)C2)c1 1890867024 AQDAPBCIRWIIQZ-LJQANCHMSA-N 445.435 2.365 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060625942 QDSFNIICTCHYOW-SCZSPILMSA-N 436.358 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2060636892 CZEXIRVQOVXBHT-OAHLLOKOSA-N 432.330 2.408 30 10 IEEE COC(=O)[C@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2124533731 FNWMWCYNFRESNS-INIZCTEOSA-N 448.325 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ccc(C#N)c(Br)c1F 2225630269 UQGNEFBXSUNHOQ-XUJVJEKNSA-N 430.274 2.213 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 2237389733 VJYAEORTUPXJGH-CABCVRRESA-N 439.306 2.478 30 10 IEEE C=C(CS(=O)(=O)N1CC(NC(=O)OCc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2241483668 XSASUMPWVBKVFF-UHFFFAOYSA-N 436.339 2.114 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247864065 ZPLGJZAUWZTNHD-UHFFFAOYSA-N 440.371 2.318 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248401986 QKPYMBSCECIGEY-GJZGRUSLSA-N 426.319 2.294 30 10 IEEE CC1(C)OB(c2cscc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587360 OOUXRYHCWRPMMS-KRWDZBQOSA-N 431.319 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626477 GOTYUMHRENGMPP-KGLIPLIRSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255695509 GIGXSFWNJCYURK-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](COCc3ccccc3)C2)n1 2255821491 ZDESLZVIVUMBKG-GOSISDBHSA-N 425.338 2.398 30 10 IEEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256677399 XDYXQZIJDDXNIZ-NRFANRHFSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2264257089 UWKGZMDMQNLIRJ-SKPFHBQLSA-N 440.544 2.249 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2266984886 YQVXVBPQHBVOBH-IBGZPJMESA-N 444.234 2.408 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139267 DIQUYFIAOMMMQD-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@H]21 2267144682 ZCVLRAQQYKUBGU-VNQPRFMTSA-N 446.357 2.227 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)n1 2267150930 WOSKESYIMBUCQD-GOEBONIOSA-N 448.373 2.330 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC(NC(=O)OC(C)(C)C)C1 2267153729 CTYALXCECJNRDV-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)OC(C)(C)C)C1 2267154324 HKZZXFJQHTVBOU-QFIPXVFZSA-N 448.373 2.157 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267236788 FVTKMGSUQMCRLT-MSOLQXFVSA-N 446.353 2.316 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267460305 KBJMRKPOMQAACQ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267519170 GLIIYJZTCVAFFS-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CO 2267821354 PQEHTACLDNEOPQ-DNVCBOLYSA-N 447.385 2.280 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268631687 BGPCSSXDILNTLM-INIZCTEOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)nn1 2268640412 GVXQHLYOICUILV-HNNXBMFYSA-N 447.345 2.253 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1 2296940672 WTNSIKILKBJQKG-LJQANCHMSA-N 442.424 2.034 30 10 IEEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1N=C1NS(=O)(=O)c2ccccc21 2297512144 SPCVHRWREZVNSO-UHFFFAOYSA-N 446.491 2.450 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2300342256 RNKNXWHIBTWEDA-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE CC#CCN(CC(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300542392 LOURCCLTPBYCIT-GVDBMIGSSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)C1 2319981857 XHTATQGRKZBCKP-PMACEKPBSA-N 440.544 2.249 30 10 IEEE Cc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)c(C)c1 2328890009 RAWNAUGZJSHZPW-UHFFFAOYSA-N 427.486 2.345 30 10 IEEE COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@]24C[C@@H](O)C(=O)O4)[C@H]13 2333242412 TVCONGKEWSYBKD-FAWPILMZSA-N 430.497 2.095 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)cc2C1=O 9702370 WHUAJKFFRWYRQD-CXAGYDPISA-N 427.457 2.030 30 10 IEEE N#CC1(NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 14971148 NOTSCKFHTQJLMM-HOTGVXAUSA-N 447.454 2.384 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(OC)ccc3OC)n[nH]2)cn1 59831949 DYKOVIZKCDKKQF-AWQFTUOYSA-N 442.505 2.381 30 10 IEEE COCCN(CCC#N)S(=O)(=O)c1c(N)cc(Br)cc1Br 71223625 FIVNXUVCHRCBEP-UHFFFAOYSA-N 441.145 2.345 30 10 IEEE COC(=O)c1c(NC(=O)C[C@@H]2S/C(=N\c3ncccn3)NC2=O)sc2c1CCC2 72435104 NOSKJHLRRLPBIE-NSHDSACASA-N 431.499 2.061 30 10 IEEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1 102716233 LMINHNQJGXSZNW-RKKARLDVSA-N 449.507 2.400 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)cn1CCOC 434214651 FPGQTVGAHFHWPD-WBMJQRKESA-N 446.426 2.350 30 10 IEEE CCOC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 435708475 ZPAMKZNNZZWYHN-UHFFFAOYSA-N 436.468 2.277 30 10 IEEE CC1CCC2(CC1)NC(=O)N(CC(=O)NC1(C#N)CCN(Cc3ccccc3)CC1)C2=O 479337058 BGYNHWZTUPGRCL-UHFFFAOYSA-N 437.544 2.162 30 10 IEEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)CCCS(=O)(=O)NC 506893454 JZJFLKRUFWNTCR-UHFFFAOYSA-N 440.591 2.142 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(C)C)cc2)c(=O)n1-c1ccccc1C 518034643 RAEHUHYSIANWPE-UHFFFAOYSA-N 447.560 2.491 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)c1 522675772 RPRYMSCXRDBKIF-UHFFFAOYSA-N 437.565 2.057 30 10 IEEE N#CC1(c2ccc(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)ncn4)C3)cc2)CC1 538522665 IALFISAUVOLAQO-FQEVSTJZSA-N 432.528 2.267 30 10 IEEE Cc1noc(C)c1CO[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 546588763 HJZCCZBDVVNSNK-ICSRJNTNSA-N 443.573 2.353 30 10 IEEE CN(CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C(N)=O)c1cccc(Br)c1 557219151 PWTUPPNTZRZBKA-QGZVFWFLSA-N 436.331 2.253 30 10 IEEE N#CCNC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 557427937 GUPUPHFOTGMTKB-UHFFFAOYSA-N 430.877 2.029 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@](C)(C#N)CC(C)C 567785966 FJQDAXOZBIXYQE-NRFANRHFSA-N 436.578 2.080 30 10 IEEE COc1cc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1C#N 574127272 HKRDHISNQXVTDV-UHFFFAOYSA-N 425.464 2.172 30 10 IEEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)/C=C/c1cccc(F)c1)N1C(=O)c2ccccc2C1=O 585830893 IUIKWRRXYZQMEE-QSPYAYGKSA-N 449.482 2.187 30 10 IEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 619742023 TUSBDVFUKXGTSW-XMSQKQJNSA-N 433.560 2.382 30 10 IEEE C[C@H]1CN(c2ccc(NC(=O)CN3CCN(c4ncccc4C#N)CC3)cc2)C[C@@H](C)O1 725795718 JQNHVANHPNLCFD-KDURUIRLSA-N 434.544 2.328 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc(OC)c3)ns2)c1 728306824 FMHVKBBJVZXFAN-UHFFFAOYSA-N 428.495 2.378 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)CC(=O)N2C)cc1 734966569 ISIHUDWDUVPJQT-QFBILLFUSA-N 447.900 2.245 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)NCCNc2ncccc2C#N)C1 745773832 AEBAVUUCQPDEJW-HNNXBMFYSA-N 426.443 2.198 30 10 IEEE COc1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1C#N 746888136 YPFKVDBUOSWEDY-IBGZPJMESA-N 437.496 2.291 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cc(Br)c2c(c1)OCCO2 749046589 GLGYVUKGKVLNLK-UHFFFAOYSA-N 437.271 2.352 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1OC 749095274 NNKBEJHTSPBQDY-RIOCCRHCSA-N 429.469 2.225 30 10 IEEE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(C#N)cn3C)cc2F)C[C@@H](C)O1 751730397 VXZSGWBUTAQEAM-HUUCEWRRSA-N 428.464 2.123 30 10 IEEE O=S1(=O)N/C(=N/CCCc2nc(-c3ccc(N4CCCC4)nc3)no2)c2ccccc21 761727306 HSFSTXWEGWSCAG-UHFFFAOYSA-N 438.513 2.403 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)cc1 766234228 SAEWRKYIRJNZEO-UHFFFAOYSA-N 438.387 2.436 30 10 IEEE C[C@H]1CCCN1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 769867230 ZQJRHGIAYYAXFB-LZICOFPGSA-N 428.580 2.421 30 10 IEEE O=C(OCC#Cc1ccccc1Cl)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782339626 BUFLOVIYJNXVMC-APWZRJJASA-N 437.876 2.198 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 783011784 CSKYRANKWZQJPF-HXUWFJFHSA-N 429.542 2.344 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)cc1 790012931 ZXDLVZZYYANXRG-SFHVURJKSA-N 432.590 2.300 30 10 IEEE C[C@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790863560 CJRSMQZGYLBTOW-NSHDSACASA-N 425.388 2.200 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C[C@@H]2CCCC[C@@H]21 793195168 HLZMFXGULBCSPH-SZMVWBNQSA-N 445.541 2.218 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 804458582 FRGHRMSIRSRZHM-ZJOUEHCJSA-N 446.956 2.215 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@](C)(CO)c2cccc(O)c2)c1 808820160 VVKIIYAAJAEDOX-WGHBEHPSSA-N 446.529 2.234 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 809885786 OAMRRGVSIUOLDT-QGZVFWFLSA-N 449.552 2.158 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCCC[C@H]3n3cc(C(=O)OC)nn3)cc2C1=O 816071219 MAPDTEIMWOEULZ-QZTJIDSGSA-N 438.440 2.187 30 10 IEEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775121 IBOCZRQZUBVASE-LJQANCHMSA-N 445.566 2.364 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c3cccnc3Cl)CC1)C2 1132643434 OYNDUUDVBJEUEW-SFHVURJKSA-N 444.944 2.291 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cs1)C(N)=O 1135982904 NYRNTQWGUBNXPF-YOEHRIQHSA-N 429.571 2.061 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1136147537 GXICQGUDEVFJSX-UHFFFAOYSA-N 449.573 2.040 30 10 IEEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1151411666 GSPKNTQBFDDGRP-UXHICEINSA-N 434.418 2.097 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C)c1cc[nH]n1 1164479981 NJTPIPKDYWAODC-OKZBNKHCSA-N 441.532 2.203 30 10 IEEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCCC)c(C(C)C)c2)CC1 1212213806 LGLFXUCBRAOVNX-UHFFFAOYSA-N 435.590 2.045 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nnc2n1CCCCC2 1286310042 WGSIHNZRBXPOQP-UWVAXJGDSA-N 427.553 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)cc(C)cc2C)CC1 1286490536 MVMAKOSMHLIOHU-OAQYLSRUSA-N 448.571 2.169 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1286503894 GHEZKMRUDDOMDI-RTBURBONSA-N 427.574 2.464 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1286530024 DMGTWYGLWJDONX-OAHLLOKOSA-N 425.375 2.390 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286546215 HIZCFNKNPVAAAM-ZWKOTPCHSA-N 446.596 2.092 30 10 IEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)C(=O)C1 1286605314 VMAGGDLKNDZRME-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)N(C)C)CC1 1286664026 SEWQAQDECRZXFR-MSOLQXFVSA-N 433.578 2.479 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C)C1 1286821971 FLSNEMMAKMHBRU-INIZCTEOSA-N 429.546 2.176 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCCCC2)CCOC1 1288323242 SHTVAFQNSYNEOJ-CVDCTZTESA-N 446.596 2.312 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCNS(C)(=O)=O 1288935841 GJMSNLXFZJIWNA-KGLIPLIRSA-N 440.957 2.359 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@]2(CCOC2)O1 1291278906 DVRNWCNNGCVNAI-SBUREZEXSA-N 441.532 2.274 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1291782300 CPQPJWPYDTWITJ-FXAWDEMLSA-N 428.537 2.325 30 10 IEEE CCC[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1293844906 ZEWMDCSJYNTENU-GEYWLOKFSA-N 448.568 2.329 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(C)CN(C)C1=O 1296864813 ZXIJGSYBRUFUAC-OPAMFIHVSA-N 426.521 2.330 30 10 IEEE C=C[C@@](C)(CCOC)C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1298846184 IPZTXWUJHMIDEO-IBGZPJMESA-N 428.576 2.223 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H]1OC 1300285260 ZGWRVWJBJVCRFI-XKGZKEIXSA-N 445.589 2.468 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300302739 DKWCEJHNIJWHQF-XWSJACJDSA-N 429.544 2.324 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1300309510 HODMDEAFBDXRGH-FXAWDEMLSA-N 425.533 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1300310052 KHYMAWPJBSQVOD-NNMXDRDESA-N 439.560 2.485 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1300380679 FOIGNWICUVVCNS-QUCCMNQESA-N 444.605 2.012 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC(C)(C)C 1300432442 JMGPJURETQVBMH-UHFFFAOYSA-N 430.940 2.236 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1300497090 XHELMUAIEMOIDO-IRXDYDNUSA-N 442.532 2.234 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1300578762 OPFPCSKZFIGULD-GOSISDBHSA-N 444.532 2.251 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300890958 WPAHBWLMGITXJV-ZVDOUQERSA-N 445.589 2.259 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301155718 SIOBMNMCVNKTQS-RTBURBONSA-N 430.597 2.160 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1301294024 KNVYOLIFDWBVMO-HNNXBMFYSA-N 425.580 2.490 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1301586980 LBRRPODYHNHKRC-FPOVZHCZSA-N 429.590 2.500 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1301612396 LVLLYEZVSSKTKG-KRWDZBQOSA-N 440.635 2.495 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1302410189 RIUIVDXSIZVLAM-HXUWFJFHSA-N 449.559 2.084 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1302438964 MELUADGHZXTWCG-UHFFFAOYSA-N 436.497 2.343 30 10 IEEE CC(C)Cc1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302981851 OCEFGVVCKOCFBL-FMQUCBEESA-N 428.537 2.152 30 10 IEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1303051110 AZQYGMIBGFAYSW-VQTJNVASSA-N 438.613 2.149 30 10 IEEE Cc1cc2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)[C@@H](C)CC#N)ccc2[nH]1 1304257755 CVZYKHFFGOWQDL-LSDHHAIUSA-N 429.550 2.465 30 10 IEEE CC1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1305110494 YKZYQPKWKVZUHE-QFIPXVFZSA-N 431.560 2.468 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1305614221 MUEULIIYLKNYSY-OAHLLOKOSA-N 433.520 2.000 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)C1 1312468182 BYHNUWYLFFUQDI-OKZBNKHCSA-N 436.553 2.411 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)C1CCC1 1314740850 DCUWYPRINGNMIS-IBGZPJMESA-N 435.532 2.044 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1314988426 LLAKENMXMHPIOA-HXUWFJFHSA-N 449.559 2.086 30 10 IEEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)c1nccs1 1355155685 HXEJDSMLHAOPET-UHFFFAOYSA-N 445.570 2.362 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCc2nnc(C)s2)c1 1358903323 SJGWHGCLKDPDTB-UHFFFAOYSA-N 439.545 2.273 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359083223 FBNBZKHMXRCOFQ-CABCVRRESA-N 439.358 2.469 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1359097392 OIGLQXRADNMNNG-IHPCNDPISA-N 430.553 2.290 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1359140608 HJXOVZRUWRHRAL-SFTDATJTSA-N 425.533 2.384 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1359309193 KWIKYLCLMFLAIJ-SJLPKXTDSA-N 449.577 2.117 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC(N)=O)c2)C1 1359320131 MGRMDFLDFOKLSA-WOJBJXKFSA-N 441.532 2.213 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1359630932 JMYBCONWHXQVEC-UHFFFAOYSA-N 439.564 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)sc2C1 1443537030 OFWCEKYTFCQHBJ-HTXNQAPBSA-N 446.529 2.298 30 10 IEEE COc1ccc(C=O)c(OCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1452959181 XZVWGUVFDWHBON-UHFFFAOYSA-N 445.479 2.497 30 10 IEEE CO[C@]1(CO)CCCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1453044702 QHSADCTVDCEUJO-AUSIDOKSSA-N 429.517 2.392 30 10 IEEE CCc1nc(C#N)cc(N2CCN(C(=O)c3ccccc3I)CC2)n1 1458121241 VGWMDVLYHZCQRB-UHFFFAOYSA-N 447.280 2.478 30 10 IEEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCCC1 1460451261 PCDIXZOPTZKSIE-UHFFFAOYSA-N 427.517 2.276 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1466695536 ZVFFBTPXNACQEN-LPHOPBHVSA-N 431.374 2.197 30 10 IEEE N#Cc1ccc(CC(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)cn1 1467528363 VMRYUXSMXFYLSY-UHFFFAOYSA-N 437.301 2.483 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@]2(C(=O)OC)CCC[C@@H]12 1471734539 VLLBJAVTPZRONY-CDMIOBSGSA-N 447.557 2.228 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#C[C@@H]2CCCCO2)cc1 1472319620 QAXZLBMMRBDIGH-PZJWPPBQSA-N 432.542 2.121 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)c1 1477213513 KDVAIQBHRQYVLI-UHFFFAOYSA-N 431.452 2.042 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1504974061 LUQPIYXOCMKQSI-CVDCTZTESA-N 447.628 2.158 30 10 IEEE CON(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1505091218 NBFNRZJYFCPNEC-UHFFFAOYSA-N 432.531 2.163 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507589157 GHPSMSDXDMFRBU-UHFFFAOYSA-N 427.578 2.385 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507626546 ASNYWCCVXIEWDJ-PZJWPPBQSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507630511 ASPSKYVKFQPYQT-SFHVURJKSA-N 439.516 2.463 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1507631418 PFANMZXLXUTSDB-LJQANCHMSA-N 436.541 2.027 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507647915 IJBUGWPGHNYGTG-UHFFFAOYSA-N 433.516 2.375 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ncn(-c3ccccc3)n2)CC1 1507742255 DUWQKRGVPADQFI-UHFFFAOYSA-N 446.559 2.071 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC(N)=O)CC1 1507749431 YPXUTGOWNZBYAX-UHFFFAOYSA-N 443.573 2.421 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507927391 SGVPPZLBIBWFKP-KRWDZBQOSA-N 445.545 2.346 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507955436 YQBRAKJAZGOXNA-QGZVFWFLSA-N 447.609 2.288 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1508075366 QGVRNNUEUGQKBS-QGZVFWFLSA-N 430.528 2.390 30 10 IEEE COCCn1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)cn1 1519187241 MBQZWFMFYBMCER-NRFANRHFSA-N 445.449 2.480 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1 1521815339 MRVRTNIYIFKKGH-UHFFFAOYSA-N 425.514 2.154 30 10 IEEE C=CCN(C(=O)CN1CCCC2(CC2)S1(=O)=O)[C@H](Cc1ccccc1)C(=O)OCC 1522958070 AXRMQAWJYMWONE-LJQANCHMSA-N 434.558 2.134 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 1524614543 BBRCAYGWZHVWLN-UHFFFAOYSA-N 442.472 2.471 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)s2)cc1 1527274635 UUHIPEVKMOFWRH-CYVLTUHYSA-N 441.556 2.217 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@@H]1C 1539001419 AKPXSDJCTIBIJU-QYWGDWMGSA-N 430.578 2.247 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539089432 MJHAEKFFSOQDOQ-SFHVURJKSA-N 430.597 2.299 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539230489 HXSDDFKBEUWBHO-USXIJHARSA-N 449.602 2.325 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCSC1 1539337662 PTLLLZOMAVPQDI-QFIPXVFZSA-N 426.542 2.197 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(C)c1 1539385430 ZXCFLRMAPSSTMX-UHFFFAOYSA-N 444.474 2.486 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCn2cc(C)cn2)CC1 1539476498 YYCOPARJMNULAZ-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1539750707 CACJOSVCXQXDCW-LJQANCHMSA-N 446.596 2.491 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C2(CC2)C1 1539826946 PWSRETWWRXNZAD-KRWDZBQOSA-N 448.545 2.008 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(C)(OC)C1 1540898767 UIGOCXFXQQGTJI-UHFFFAOYSA-N 442.488 2.372 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1541064247 IFMMSSOURRGDDU-QFIPXVFZSA-N 440.573 2.037 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNC(=O)C2CCC2)CCOC1 1541724273 PKJFNMGTOPAJQE-QHCPKHFHSA-N 444.580 2.365 30 10 IEEE N#Cc1ccc(OCC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1Br 1544028329 VNMLYGLPHNIGOW-CQSZACIVSA-N 434.265 2.299 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 1545370530 NCVOTUNUFYLYRH-INIZCTEOSA-N 443.500 2.405 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCOCC(F)F)CC2)nc1 1555990402 ZGKJTVFKMWSZNQ-QGZVFWFLSA-N 447.490 2.395 30 10 IEEE C#CC1(O)CN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)C1 1558691299 HZGRWLSBDAVGJX-GMAHTHKFSA-N 434.492 2.395 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1564690568 UGNPUDLKCZPKJK-UNMCSNQZSA-N 434.496 2.451 30 10 IEEE C=CC[C@@H](CO)CNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1565100500 ZVDYDXIHLALOEE-QGZVFWFLSA-N 440.585 2.108 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCN1CCCCCC1 1569845789 GISBIPQRYBHDQP-MRXNPFEDSA-N 430.977 2.131 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1587783329 PESBAYHYAHYKKE-LJQANCHMSA-N 428.581 2.193 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588064652 MMWDLLQYDBGOJT-HXUWFJFHSA-N 427.574 2.194 30 10 IEEE C#CCN(CC#C)c1nnc(C2CC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588128835 UCUPITQCOBLHPP-FHWLQOOXSA-N 425.533 2.253 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1588265892 JRKOMFVUDZABRG-MRXNPFEDSA-N 446.577 2.113 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1589052994 BZWLJXCYBXMDFZ-MRXNPFEDSA-N 445.593 2.325 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1595141806 LTJZAVRLRPBGDI-OAQYLSRUSA-N 440.529 2.331 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@@H]1C 1595275944 TXMHYILJSHEJMZ-FZKQIMNGSA-N 440.342 2.214 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595501005 IWVCRCLIIJSUCS-SFHVURJKSA-N 438.532 2.186 30 10 IEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1597433190 AVKKYOCHCIXDFJ-UHFFFAOYSA-N 434.504 2.483 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCn4nc(C(=O)OC)cc43)ccc2c1=O 1611685500 FNMZEDOVKRMASL-CQSZACIVSA-N 439.497 2.119 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@]3(CCOC3)O2)CCOC1 1616140424 JTJXUMSALQGFES-MCEIDBOGSA-N 433.553 2.254 30 10 IEEE CCS(=O)(=O)NCCn1c(N(C)[C@@H](C)CC#N)nnc1C1(c2ccccc2)CCC1 1617404501 QEJBZTYMNBFGAZ-KRWDZBQOSA-N 430.578 2.426 30 10 IEEE COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)NC(C)C 1617918175 SDNHWGHYWJSOTC-HXUWFJFHSA-N 443.525 2.467 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1619590298 SSFZPDYAAOLDOC-HKUYNNGSSA-N 436.520 2.444 30 10 IEEE COC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619599667 IIPFRBOQUFQFTB-INIZCTEOSA-N 438.463 2.281 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 1626727378 JRYMKOQHFRXBRD-UHFFFAOYSA-N 430.486 2.446 30 10 IEEE C#CCN(CC(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21)C(=O)OC(C)(C)C 1627170120 JNYICJNYNPVEQD-UHFFFAOYSA-N 449.573 2.477 30 10 IEEE N#CCCN(C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)c1ccc2c(c1)OCCO2 1628025884 BLYIEMAKAFQRAV-UHFFFAOYSA-N 436.399 2.206 30 10 IEEE C[C@H](C(=O)OC(C)(C)C)N(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1630160508 SABOCJFNBFFDEZ-CQSZACIVSA-N 435.546 2.227 30 10 IEEE Cc1cc(C(=O)NC2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)no1 1631254165 KWDCABQNCGMVQF-UHFFFAOYSA-N 444.532 2.354 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1632484368 IFARLSSQYJLMNV-SFHVURJKSA-N 435.546 2.321 30 10 IEEE C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)O2)CO1 1638514450 VRLAZVRPCJPWNH-QSAZIKIQSA-N 438.532 2.285 30 10 IEEE C#C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)C1 1639240293 DIWTYCRMLFZQSL-OAHLLOKOSA-N 439.559 2.493 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1639638038 MJDBVCITCPTZSX-QFIPXVFZSA-N 435.480 2.246 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)c1nccn1C 1639720846 QWPJCSUTBGPASB-JXFKEZNVSA-N 437.525 2.059 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1641796832 DZLVOLGRUILKNM-UHFFFAOYSA-N 435.527 2.020 30 10 IEEE CCO[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1643704574 RQEHVZAQACVBJA-SFHLNBCPSA-N 433.549 2.354 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 1643848197 DINQBGWABJPDPK-ZDUSSCGKSA-N 430.486 2.214 30 10 IEEE CC1(C)C[C@H](O)c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2O1 1645944566 YSSQKHUGEYMEDB-INIZCTEOSA-N 429.498 2.348 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 1647980860 NHEAGUOBYIRZSH-QHCPKHFHSA-N 435.484 2.448 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)OC 1654634167 NAMQOYVOAZTVKC-KRWDZBQOSA-N 434.901 2.113 30 10 IEEE COC(=O)[C@@](C)(CCF)NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1659424187 CDDROUKGHMDZAR-OYHNWAKOSA-N 434.512 2.237 30 10 IEEE CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1662994874 GIEUVAPIDCDFPF-UHFFFAOYSA-N 430.368 2.300 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)OCC 1663384594 JVIOIRBHZLMEJT-CQSZACIVSA-N 434.308 2.412 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1670813773 TXZOAFGYSURBTO-RDJZCZTQSA-N 432.525 2.246 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 1682311170 HROQIIUVBWWXAL-UHFFFAOYSA-N 425.464 2.427 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)C2 1683589552 FQQZDQGNIYTRIR-LJQANCHMSA-N 444.944 2.395 30 10 IEEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1689885739 TWZNVCXMAPIBLH-UHFFFAOYSA-N 433.560 2.440 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc(Cl)cn1 1690003301 JZYKSEYWOQBNPN-OAQYLSRUSA-N 429.908 2.130 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1690008079 UOXDSLOQUJEYQQ-KRWDZBQOSA-N 425.920 2.166 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)F 1690091613 YZJBHWBSWSAFHZ-UHFFFAOYSA-N 442.445 2.424 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCCN(C)C)c2)CC1 1690120145 ISFKLXJAVMINKK-UHFFFAOYSA-N 447.587 2.028 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1690190553 YPBAFKOATDQLBS-IAMHBRQHSA-N 434.566 2.289 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1690299297 MREHJOSDNDZRAA-UNMCSNQZSA-N 439.560 2.470 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690317249 WKIYLCHTPSANSK-FQEVSTJZSA-N 444.580 2.370 30 10 IEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1690442034 LGCBCKOFXKIYFV-UHOSZYNNSA-N 433.578 2.473 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(N)=O)C1 1690503567 GLDKPYGZGJSNFS-KRWDZBQOSA-N 427.505 2.011 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1690540021 WFPWFBISKDKQRG-SFHVURJKSA-N 443.573 2.418 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690675108 PLHMSBAGBZGNPD-UXHICEINSA-N 436.560 2.003 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)C1 1690809256 FSNKTOPMTAIBQV-WBVHZDCISA-N 448.531 2.448 30 10 IEEE CC(C)CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692455296 KHGPSJCQKOENFT-LJQANCHMSA-N 445.637 2.356 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCc1ccco1 1694119936 FHWSGDSYZFWZLT-KRWDZBQOSA-N 448.531 2.294 30 10 IEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)CCOC1 1697225876 HRTIVZKCIMPFJF-NFBKMPQASA-N 441.532 2.252 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)c1 1697522478 AEZDURAGUXEHKI-XLIONFOSSA-N 427.505 2.126 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)c1ccccc1 1698138208 SQZNBCPTBHZFHB-QGZVFWFLSA-N 447.561 2.216 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CCOCC(F)F)c1 1698486109 RZVLQXJOLAFCST-GOSISDBHSA-N 443.458 2.200 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1698492320 DWAANCAHKZUDJV-LSDHHAIUSA-N 438.410 2.243 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1N1CCOCC1 1705578956 BOZBWPNGWZRZCR-UHFFFAOYSA-N 432.503 2.380 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1705623015 CRKOKTAVHZQYEW-UHFFFAOYSA-N 444.543 2.463 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1705642671 DBYCMIPBWHXYCA-UHFFFAOYSA-N 447.967 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1705647676 KUBQFKNYTLFENA-UHFFFAOYSA-N 448.571 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1705649703 FBBPKFNVFZVHMW-REWPJTCUSA-N 448.571 2.211 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(F)(F)F)CC1 1705651610 CQDZJQSHLBSOAX-UHFFFAOYSA-N 446.543 2.247 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705735955 HHVUJCRUMMSIHR-AOMKIAJQSA-N 441.536 2.431 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705752638 BUXMHLIQQNPSOI-MRXNPFEDSA-N 429.887 2.319 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705791793 DMSAVHPBBNGHPP-INIZCTEOSA-N 425.599 2.245 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1705834274 HRVOTBLAGYIGID-MJGOQNOKSA-N 432.594 2.175 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC=C)C1 1705921124 LYFWQIKLSNMXFK-MRXNPFEDSA-N 437.953 2.376 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1706074759 DDCKDLSSYYQEJK-RBUKOAKNSA-N 436.626 2.432 30 10 IEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCCO 1706116391 AUSOMBOMTALEPH-UHFFFAOYSA-N 426.565 2.168 30 10 IEEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2nnn(C)n2)cc1Br 1707341767 LDKCVUVOYYBBCN-GFCCVEGCSA-N 430.314 2.326 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccccc1)OC 1708756764 HJKYHRCPYYDKOI-UXHICEINSA-N 440.548 2.183 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1710893661 PDKUQGOGYNISNP-JKSUJKDBSA-N 448.618 2.476 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1711316447 FBCCUXAEAQMVON-XMMPIXPASA-N 449.559 2.038 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCCS(=O)(=O)C2)c1 1722305912 WOLRAFVZEJAONQ-GOSISDBHSA-N 443.573 2.283 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722339118 WLQAAXQZGYSBDV-UHFFFAOYSA-N 442.589 2.378 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CC1 1722373553 OPEBLIIDGFXCDL-SFHVURJKSA-N 425.558 2.001 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OCC)CC1 1722440755 INCIGCVWERYZRP-UNMCSNQZSA-N 439.560 2.204 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722494026 LFSDPUMQKAUCQV-XLSPSMHOSA-N 430.505 2.188 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722507484 FXFLQIMSOQRDLL-KNQAVFIVSA-N 427.597 2.494 30 10 IEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722535214 BOKGHGXGBROOIG-UHFFFAOYSA-N 449.559 2.243 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1722542446 BCPLTDDCMVJDAR-CQSZACIVSA-N 442.948 2.107 30 10 IEEE CC(C)Cc1nnc(N2CCC(OC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723301813 KQKJFMODKFLXHO-MRCUWXFGSA-N 430.553 2.397 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCc3cccnc3)CC2)c1C#N 1725861331 HGIMPELYWWMUFB-UHFFFAOYSA-N 433.564 2.454 30 10 IEEE Cc1noc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1726432204 HGLGVKKEIWOIQS-SFHVURJKSA-N 440.529 2.341 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1729761938 CPTSTDQQDMLHMS-SSEXGKCCSA-N 427.530 2.117 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(N(C)C)CCOCC1 1730836098 BYFYMKFNVFGBCU-GOSISDBHSA-N 434.585 2.243 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](OC)c1ccc(F)cc1 1730876283 NKPRNVGOEBPQQH-AYOQOUSVSA-N 433.484 2.258 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1740588874 IFBDEAIDKMVMLC-OAHLLOKOSA-N 429.912 2.134 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CC(F)(F)C1 1740684183 KWCXLLJHENEQGA-UHFFFAOYSA-N 442.470 2.323 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1740722460 BDDJCWBRZGUKNO-JOCHJYFZSA-N 443.573 2.001 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1740732338 ZKLPHMPSIMBVCR-DENIHFKCSA-N 433.622 2.294 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740817792 UAOUAWBEHFYPPM-LNLFQRSKSA-N 439.988 2.444 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCOC1 1741674112 FUJBKDRCMLWNKE-GOSISDBHSA-N 437.548 2.041 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1C(F)(F)C12CCC2 1741919575 CFKQHWLNIXEAOO-UONOGXRCSA-N 442.536 2.454 30 10 IEEE CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)cc1OC 1746784847 DWIRBZKORHGBPN-UHFFFAOYSA-N 448.474 2.474 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCC1 1747978189 RDJHWRYYNASUBT-SFHVURJKSA-N 444.561 2.070 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SC)C1 1749213159 GFACSZWXPWHTCT-JKSUJKDBSA-N 431.628 2.203 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(C)C)CCO1 1750016180 PHQBWMGZIGKSDI-OAQYLSRUSA-N 440.548 2.221 30 10 IEEE CC(C)(C)c1nnc(N2CCc3ccc(O)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750443437 AQRBKAAVTGIBFB-VXPUYCOJSA-N 436.516 2.370 30 10 IEEE CC(C)(O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1750529123 RLTHYPJQWTWNCQ-QFIPXVFZSA-N 426.496 2.232 30 10 IEEE Cc1ccccc1-c1nnc(N2CCCO[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751672335 ZJZKQZXBMBRPFK-MBOBHEEDSA-N 436.516 2.395 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cc(C)nn2C)CC1 1760254977 RRRWJKBQZPFWLY-UHFFFAOYSA-N 441.486 2.392 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1760258699 BFFZRXDDURZJOR-JPYJTQIMSA-N 443.979 2.488 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760399088 YQLLXJFCPAESFA-AOMKIAJQSA-N 446.573 2.291 30 10 IEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1764130546 DOUWOTAGIHQKIG-HXUWFJFHSA-N 438.532 2.356 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCCO1 1764994199 SKHMVJNRSAWSLH-WOJBJXKFSA-N 438.532 2.117 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCCn1cccn1 1767137016 HWRJTZNZSGKWID-UHFFFAOYSA-N 431.504 2.385 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C#N)CC1 1772660207 QUSGIQGRYNDVEH-UHFFFAOYSA-N 445.545 2.303 30 10 IEEE C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)[C@@H]1CCN(C)C1=O 1848771572 HFFFPYPHHNNXAG-OAQYLSRUSA-N 441.553 2.366 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)c1 1848861669 LRWVTNHOHOCDQE-SFHVURJKSA-N 432.480 2.031 30 10 IEEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)c1cnn2c1OCCC2 1848942573 LPPFIAHSZCNCPW-IBGZPJMESA-N 427.501 2.331 30 10 IEEE C=CCN1C[C@@H](C(=O)N(CCN2CCOCC2)c2nc3cc(OC)ccc3s2)CC1=O 1848974927 GBBCASAHGVQERO-INIZCTEOSA-N 444.557 2.005 30 10 IEEE CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)C1=O 1851241092 MELZSHCESVITRK-RDJZCZTQSA-N 442.859 2.474 30 10 IEEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2nc(C)cc(C)c2C#N)CC1 1852035605 NREWMOWUSBGYQW-UHFFFAOYSA-N 431.500 2.117 30 10 IEEE Cn1ncc(N2CCC[C@H](C(=O)OCC3CCN(c4ccc(C#N)cc4)CC3)C2)cc1=O 1852391147 XSMGGJWOHAUDEQ-FQEVSTJZSA-N 435.528 2.328 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)C(=O)C12CCCC2 1854400996 HEHJPWNHSLNGHK-UHFFFAOYSA-N 430.313 2.444 30 10 IEEE CC(C)CS(=O)(=O)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1(C)C 1854673538 KDSNHSOHHZYPHF-UHFFFAOYSA-N 425.938 2.455 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)cc1 1857232585 YSGWWTGGDONWHK-UHFFFAOYSA-N 425.510 2.493 30 10 IEEE NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)cc1 1860726503 RXOIRZIMFGQVTL-KRXBUXKQSA-N 427.251 2.457 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862177590 FPFJOTDSHPASCK-PXNSSMCTSA-N 439.512 2.018 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OCC)cn1CCO 1870337232 XUBCRJJZDMNYDI-UHFFFAOYSA-N 441.528 2.431 30 10 IEEE C=CCn1nc(C(=O)NCCNC(=O)OC(C)(C)C)c(I)c1C 1871323247 IRAYYPUSTSJXRM-UHFFFAOYSA-N 434.278 2.237 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCO)CCO)n2Cc1ccccc1 1873555058 ITSCASFDKUVPIQ-UHFFFAOYSA-N 435.528 2.085 30 10 IEEE O=C(CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(O)c(O)c1)NCc1ccco1 1874446942 OJFNILQTPFMBRZ-MMXTWKRJSA-N 443.485 2.425 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2009979711 MXPPFWUGRUTKEZ-JPYJTQIMSA-N 429.517 2.139 30 10 IEEE CC(C)(C#CC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2023914438 LTBNXUQDBWVOBP-UHFFFAOYSA-N 439.553 2.171 30 10 IEEE C=C[C@]1(COc2ncc(I)cc2Br)COCCN1 2079136652 YFNBZWAIGBHUTO-GFCCVEGCSA-N 425.064 2.372 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)NCCNOCc2ccccc2)OC1(C)C 2243435179 MANUPJDDHNPXAE-UHFFFAOYSA-N 438.380 2.047 30 10 IEEE CON(CCNC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255647970 GRWNUSOYGNNQFK-UHFFFAOYSA-N 435.330 2.218 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837139 KHEVOXXJLIQASG-GZBFAFLISA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2255886081 BLIMZWXGNSLINO-INIZCTEOSA-N 433.314 2.052 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256619945 CGZTXVWFTJULAP-GOEBONIOSA-N 433.314 2.002 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]21 2267145104 DRHBZSTYYPHYSO-KBRIMQKVSA-N 446.357 2.227 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267494346 DDNKQPRDIOWGNZ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267515445 OOLUINGJJFUXMA-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267522062 VUMKMPXRSDIRCY-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267615021 WQDBTISBMZPIDG-JKSUJKDBSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268631167 URXVMCOXEHDTQO-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268663390 KTFJQAAZOMIYNW-HOTGVXAUSA-N 447.341 2.249 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2283067035 ANZASDJCBJNHCW-UXHICEINSA-N 448.376 2.370 30 10 IEEE COc1cccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)c1OC 2296610765 PQQLECRLQSVGDN-LJQANCHMSA-N 442.516 2.417 30 10 IEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)c1 2296625782 FJDLDDGPYCZDBQ-HXUWFJFHSA-N 442.516 2.037 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc[nH]1 2328988648 TVSWOSNIRDUICM-HNNXBMFYSA-N 431.566 2.173 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337303530 ISSGYXFZJFFXAV-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE O=C1/C(=N\NS(=O)(=O)Cc2ccccc2)c2ccccc2N1CCN1CCCCC1 59156041 XYQSCXVCFMLLLK-LNVKXUELSA-N 426.542 2.343 30 10 IEEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)o1 59843815 OGFARTASJPBROL-FBCYGCLPSA-N 445.465 2.074 30 10 IEEE CCOC(=O)CN1C(=O)[C@@H](SC2=NC(=C3C=CC(=O)C=C3)NN2)CCc2ccccc21 103993669 BOOYZVVZSYNPGA-SFHVURJKSA-N 438.509 2.001 30 10 IEEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 445721046 FXHLVYHLCAEFFB-UHFFFAOYSA-N 440.525 2.087 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 465283542 HBPBCILSQIGDJC-GJZGRUSLSA-N 427.459 2.125 30 10 IEEE N#Cc1ccc(C2(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)ncn4)C3)CC2)cc1 473529339 VUSHVUUDAYXBNQ-HXUWFJFHSA-N 432.528 2.002 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)CC1 476926241 LHERJRLGXUVECJ-UHFFFAOYSA-N 432.933 2.329 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccc(F)cc3)c2=O)o1 478750602 ZYQISKVJDKXEFJ-OAHLLOKOSA-N 438.480 2.438 30 10 IEEE CC(C)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn12 504907253 DVAGXPSMHULZOD-YLJYHZDGSA-N 445.483 2.319 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)n(C)c1=O 512725021 JPVXJEMNRRLRNU-UHFFFAOYSA-N 432.427 2.068 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1-c1ccccc1C#N 521498258 FUQUYBBDUCPKOK-UHFFFAOYSA-N 442.544 2.417 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2F)c1=O 523306281 AGQOEMXMQIXCAF-UHFFFAOYSA-N 446.475 2.013 30 10 IEEE N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1N 541801358 NFSNANBMFREDCY-UHFFFAOYSA-N 448.508 2.352 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCC3CCN(C(=O)c4ccccc4)CC3)CC2)n1 546929920 PPVCEHPVDIIQHR-UHFFFAOYSA-N 432.528 2.337 30 10 IEEE C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 554211202 FGNVKYQJRWOTNE-HUUCEWRRSA-N 425.580 2.473 30 10 IEEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(c2nccn(C)c2=O)CC1 555257920 BIWCLMOTBRFPSE-UHFFFAOYSA-N 444.543 2.278 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)OC)c1 557270037 MQBOYYOQVBPVOZ-QGZVFWFLSA-N 434.489 2.052 30 10 IEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 558981097 VIPHLPKYPPLEMC-IBGZPJMESA-N 437.552 2.044 30 10 IEEE N#Cc1cccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)n2)c1 559052487 SXQHHSOOFNFMCR-FUHWJXTLSA-N 440.525 2.304 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)CNc3ccc(-n4cnnn4)c(OCC)c3)cc21 586266989 IECFUUUWLNCSSE-UHFFFAOYSA-N 434.456 2.267 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)o1 588109819 REBMCEASYRCYAN-UHFFFAOYSA-N 442.419 2.115 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCc3nc(Cc4ccc5c(c4)OCCO5)no3)C2=O)cc1 612892647 OFRBDSJCYHHZSE-KRWDZBQOSA-N 445.435 2.361 30 10 IEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)C)C[C@H]2C)CC1 619848595 JMHZAIHSWXNJGP-XMSQKQJNSA-N 435.576 2.462 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 670206147 NMPRBDLMJPXBSD-OAHLLOKOSA-N 428.541 2.136 30 10 IEEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 728768713 KFBHAVWPNYNVHL-MLGOLLRUSA-N 432.452 2.392 30 10 IEEE N#Cc1ccc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cn1 734600201 YGTFCFVDZUSHGZ-KRWDZBQOSA-N 433.468 2.480 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)CC(=O)N2C)cc1 734966567 ISIHUDWDUVPJQT-APWZRJJASA-N 447.900 2.245 30 10 IEEE CCN(C(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1nc2ccccc2s1 741339902 CHRULDHMDBCCAS-HNENSFHCSA-N 428.470 2.109 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1 749201094 WKVHCVWOCXZDTE-WRNCNIFXSA-N 429.473 2.002 30 10 IEEE CC[C@@H]1CC[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)O1 757302419 AQILXPQYPLKLEN-BHIYHBOVSA-N 433.530 2.466 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760991733 JFQXTFLVJKONIF-QGZVFWFLSA-N 428.537 2.432 30 10 IEEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(Cl)c1 762522076 SYNWOEAGOZWJFE-QGZVFWFLSA-N 436.965 2.371 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2nc3cccc(C)c3[nH]2)cn1 765546810 GXPIBXCPVRMJRB-HNNXBMFYSA-N 425.518 2.356 30 10 IEEE COc1ccc(S(=O)(=O)Oc2ccc(C#N)c(OC)c2)c(NS(=O)(=O)C(F)F)c1 767595729 FSOFWIPBOZSANU-UHFFFAOYSA-N 448.425 2.307 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c2c(nn1C)CCCC2 794434403 NTIPUXNIANIKEF-GOSISDBHSA-N 443.573 2.069 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 796096212 AWTJQWFZLWVLLR-LJQANCHMSA-N 438.546 2.000 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C=NOC)cc1)c1ccc(S(C)(=O)=O)cc1 797770518 PDQFMBSHUFMVTQ-NRFANRHFSA-N 432.498 2.279 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnn(C)n2)cc1 807936089 XIMSMPMLIPXDBP-MRXNPFEDSA-N 436.501 2.074 30 10 IEEE C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(N2CCCCC2=O)cc1 812038083 GKCKEQBYNYHOLK-MSVBSMQLSA-N 425.489 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812385616 YWLMPHAMWAPCRA-OALUTQOASA-N 443.548 2.086 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 812939479 YBQJYBXGLJOEFM-FQEVSTJZSA-N 426.473 2.088 30 10 IEEE C#CC[C@]1(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CCCN1C(=O)OC(C)(C)C 856614766 XVXNSOAKVDLNAD-XLNZFTOWSA-N 440.544 2.156 30 10 IEEE Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1137537656 SJJYLHIAMLBRMB-QGZVFWFLSA-N 447.348 2.307 30 10 IEEE C=CC[C@@H](CO)CNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1137919753 VAKXGUWRRDLOMF-MRXNPFEDSA-N 446.979 2.341 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Sc2ccccc2F)c2ccccc2)CC1 1152967536 KQKRWJWAOHLQQO-HXUWFJFHSA-N 447.557 2.271 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 1163677788 MUMSWJKABXBHNR-LBPRGKRZSA-N 437.424 2.205 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1165508691 UFSWTSBZYYPGIK-JOCHJYFZSA-N 435.521 2.336 30 10 IEEE N#CC1(C[C@@H](O)CN2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 1168331251 ATYVQXBKCLQGRC-CYBMUJFWSA-N 448.408 2.262 30 10 IEEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1177758747 GDAGCFPHZDSHPA-NRFANRHFSA-N 431.602 2.425 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1233852052 JMTLHTRDJPLPHY-WBVHZDCISA-N 444.488 2.136 30 10 IEEE CCOC(=O)c1csc(N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)n1 1254489439 SMNCSCCHDHQHTI-QGZVFWFLSA-N 425.514 2.190 30 10 IEEE N#Cc1ccc(OC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 1256381524 GFYHTWKHNMIHND-UHFFFAOYSA-N 428.514 2.022 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCCS2(=O)=O)c1 1264677080 RDAUAOXZSVRMSW-AJNNJPABSA-N 441.575 2.185 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286347436 LPWWHWKYHZGYFR-RTWAWAEBSA-N 442.608 2.456 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(Br)c1 1286358449 LETVIEWVBTVLIO-UHFFFAOYSA-N 432.322 2.403 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1286516474 HBLJXXSKWIIGKL-DYESRHJHSA-N 436.626 2.145 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286602208 VHOOPDQBKXLUJX-MRXNPFEDSA-N 434.566 2.352 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286710383 VWBFOXSOLYVUBL-KRWDZBQOSA-N 446.502 2.427 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286756602 ZZKZFTNFZQLOGI-OAHLLOKOSA-N 436.969 2.453 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CNC(C)=O)CC1 1286783176 MTWGWSDBWUHYML-UHFFFAOYSA-N 430.940 2.253 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1286792517 AGBGNYBQYDLHAR-SFHVURJKSA-N 431.459 2.011 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286829131 DMBYAJGTPLJSFC-KRWDZBQOSA-N 441.605 2.048 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1286972092 NKSRELBWCAYGCU-YESZJQIVSA-N 443.556 2.326 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1287989001 PLIDBKAMZOFWGZ-UHFFFAOYSA-N 435.546 2.099 30 10 IEEE Cn1cnnc1C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1290747233 BSEDSJHYNZFKIQ-PSCUFVCCSA-N 428.537 2.308 30 10 IEEE CCO[C@@]1(c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CC(C)(C)O)CCOC1 1296680014 UAFPKQDUXIQBET-MSYCTHLASA-N 425.533 2.445 30 10 IEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300361873 IYTIPFHMTZPLMJ-ICSRJNTNSA-N 428.581 2.112 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495240 FXOHRNGBFXCRTK-HXUWFJFHSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](COC)OC 1300536438 XMZDLWBYIWWDSG-RTBURBONSA-N 445.564 2.127 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1300579743 WJLAVELJYLAOAS-UHFFFAOYSA-N 443.555 2.139 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1300606535 NGGYOFWQFMIJQW-GOSISDBHSA-N 432.546 2.004 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1300630922 JQLKFIGZCYYAQB-UYAOXDASSA-N 429.590 2.160 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1SCCc2ccccc21 1300664358 BUQFVEPOXKJYMI-RTBURBONSA-N 425.558 2.346 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1300754484 ADSSDPNVBRBOGG-QFIPXVFZSA-N 426.590 2.316 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300763928 YDSYGTRRAOOOMS-VQTJNVASSA-N 432.638 2.102 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnnn1C 1301356621 CHBQUNUBNZKOAK-FQEVSTJZSA-N 429.550 2.361 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1oc2ccccc2c1OC 1301806276 AVAGMLRAKZBYOJ-INIZCTEOSA-N 438.488 2.399 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301916886 PBWPSZAADJHTNH-HKARXFIJSA-N 438.532 2.116 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(C)(=O)=O 1302176203 HWYXSOVEAVBXIF-GOSISDBHSA-N 431.562 2.361 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(=O)NC[C@@H]3c3ccccc3)C2)C1 1303952628 IPMVKQXRHPLHCL-GIIQAUJJSA-N 438.528 2.473 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H](C)S1 1305204529 APYGIUZWIIRREQ-GJZGRUSLSA-N 435.575 2.104 30 10 IEEE Cc1ccc(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)N(C)C 1308113085 CAHXJYMRVYMISU-HXUWFJFHSA-N 442.541 2.129 30 10 IEEE C#C[C@H]1CCCN(S(=O)(=O)c2ccc(I)c(C(=O)OC)c2)C1 1309627927 YDDCKZPAPHCTNV-NSHDSACASA-N 433.267 2.112 30 10 IEEE CNC(=O)CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1315027139 PAVTZPFPGTUCOM-UHFFFAOYSA-N 436.520 2.005 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H]2CCCO2)C1 1325278965 OSRITLNIONWBQN-IAGOWNOFSA-N 436.516 2.152 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1358911638 ZZFMMCRKSVKTET-GOSISDBHSA-N 427.578 2.120 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc(C)nc(N2CCCC2)c1 1359022940 RRIGJSHHVROPFL-UHFFFAOYSA-N 434.548 2.117 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@](C)(O)C(C)C)CC1 1359047285 ZNFVVPFPYFQDFX-RUZDIDTESA-N 437.588 2.436 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359098614 DAFFSPTVPKVPEZ-TZIWHRDSSA-N 446.596 2.032 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359122945 GSAXVNVKFRXGOI-UHFFFAOYSA-N 437.592 2.411 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1359272495 UMLJGPAKXZCPTJ-ROUUACIJSA-N 430.578 2.441 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(CCC(N)=O)CC1 1359296946 ZQMPOIZOLWNDOP-UHFFFAOYSA-N 447.543 2.277 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1360476943 SULIYHBVNGNSJV-DNVCBOLYSA-N 436.472 2.438 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1360478048 FDECLHGEWRNCIU-XLIONFOSSA-N 426.521 2.251 30 10 IEEE C[C@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1360834608 HSORYFVILXNXEW-IRXDYDNUSA-N 439.289 2.283 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)OC(C)(C)C 1441662091 BRWQWGCUFPDWAC-NKFKGCMQSA-N 448.545 2.308 30 10 IEEE C#CCN(CC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1)C(=O)OC(C)(C)C 1442914990 BZCUNWJVQAQXDH-SFHVURJKSA-N 428.533 2.193 30 10 IEEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1452498975 MSCGSXFXIJPPBN-SFHVURJKSA-N 429.484 2.099 30 10 IEEE C[C@@]1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)C[C@@H](O)CN1C(=O)OCc1ccccc1 1456514623 TXGYFIAAUJVBJH-KNQAVFIVSA-N 428.485 2.013 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CNC1(CO)CCSCC1)CCCC2 1460223567 CLSXDAWIPADGTG-INIZCTEOSA-N 432.590 2.204 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3Cc4ccccc4CO3)CC2)cc1 1461837596 NGMOEWZRUSEPRL-NRFANRHFSA-N 439.537 2.217 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1463925649 DXPUQCMPGSHLHX-BBRMVZONSA-N 429.336 2.228 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 1464530213 IXBMGWZTMBXLRM-UHFFFAOYSA-N 439.490 2.324 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccnc(OC3CCOCC3)c2)c1 1465087620 XACNNWJLFNAVJD-UHFFFAOYSA-N 428.510 2.366 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)N(C)CC)s1 1467825961 PVIXDVDDNXLECF-OAHLLOKOSA-N 443.591 2.224 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 1470254058 VCMVQVIILWAERG-UHFFFAOYSA-N 449.479 2.193 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1470734518 NEOLJEKTCVAEGB-SFHVURJKSA-N 444.509 2.052 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1 1473494751 CXKVYZLLUIAIMV-VXKWHMMOSA-N 437.544 2.318 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)CC2)c1 1479100144 GNPHRRBBQOBSAN-KRWDZBQOSA-N 442.882 2.383 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1501566913 UWCLZDXUMFKVJF-AYOQOUSVSA-N 429.546 2.255 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H](C)C#N 1503281263 AEDZGRXGGODEDG-LBPRGKRZSA-N 428.921 2.273 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1504686212 ZJDMLDDSELAYIM-TZIWHRDSSA-N 441.532 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1507543791 RJIHRHHJNRCVRK-SFHVURJKSA-N 425.533 2.214 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507631046 BAZKLHZFYIGUJZ-LJQANCHMSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507669719 QJMFVOYRAGTCAF-HXUWFJFHSA-N 437.519 2.269 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(C(C)(C)C)no1 1507703527 XPICULXLDAUTKA-UHFFFAOYSA-N 437.504 2.345 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC[C@H](O)C1 1507708096 HQGXJEAWBURQLE-HKUYNNGSSA-N 426.517 2.353 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1 1507816771 YNLCCGRXKKOWDZ-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507840812 SNSSXFARNCOLGQ-SFHVURJKSA-N 448.593 2.041 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1507847070 FJTPWVBYEDVQCX-QHCPKHFHSA-N 443.523 2.230 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1508023719 FRJYTRZJDOEUQG-GOSISDBHSA-N 443.573 2.042 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nnn(C)n2)C1 1508118769 YOTGNTZRSHWBHU-RHSMWYFYSA-N 444.927 2.425 30 10 IEEE Cc1ccccc1-c1nnc(N(C)C[C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511243884 LJOZKNROZQNSON-MBOBHEEDSA-N 436.516 2.253 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCCc1cnn(C)c1 1512364072 BYVNGDVZMDFTDW-KRWDZBQOSA-N 448.579 2.319 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1518832755 JIQMICNOBRMMPA-DNVCBOLYSA-N 438.488 2.240 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 1538981829 BWCMVRRGXGXTQG-HNNXBMFYSA-N 427.320 2.125 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 1539190458 JZVZCCCKNZRKHW-QHCPKHFHSA-N 441.601 2.177 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(Cl)c1 1539391553 DPFWGMHNMUVNAH-UHFFFAOYSA-N 431.924 2.310 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540867411 VLVRCURTAVWHRG-UHFFFAOYSA-N 436.476 2.194 30 10 IEEE Cc1ccccc1OCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1542784927 KFAZJFLPUCEZRS-AUSIDOKSSA-N 441.532 2.435 30 10 IEEE COC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554573983 LNZKMNDIQZSSNN-GOSISDBHSA-N 425.537 2.190 30 10 IEEE CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1561090719 CUMSCFSGCQEJTE-AWEZNQCLSA-N 432.365 2.251 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1587557192 AQLAUCOKDNZCRK-UZLBHIALSA-N 427.567 2.391 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(C)CN(C)C1=O 1588084290 PHQQXCYRSONYDE-HOYKHHGWSA-N 435.528 2.368 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCOCc1ccc(OC)cc1 1588173431 ADRKVWQVYFUHKL-UHFFFAOYSA-N 435.528 2.202 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1588309891 HHGCCQQENMIWOY-NRFANRHFSA-N 431.544 2.200 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCOC1 1589657815 LRHBFKZJPXUYGM-QFIPXVFZSA-N 427.553 2.006 30 10 IEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1589715069 AZRVVZVXXGXPIN-CQSZACIVSA-N 433.475 2.473 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1593752011 BUIRGUQVLIABMF-SFHVURJKSA-N 434.562 2.094 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1594430096 JAGBVJLMIJHKHQ-UHFFFAOYSA-N 444.561 2.070 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1611286985 NBRNQZGIRSOPIP-OAHLLOKOSA-N 442.549 2.013 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1cc[nH]n1 1617364987 HIZZGKPOZJTVIR-UHFFFAOYSA-N 441.366 2.223 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)CN3CCN(c4ccccn4)CC3)n[nH]2)c1C 1618176172 RKMTUWSSVZHCEP-KRWDZBQOSA-N 448.575 2.412 30 10 IEEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1ccc(C#N)o1 1619380682 FPUHKOHPLFFUFC-AWEZNQCLSA-N 429.502 2.336 30 10 IEEE COC(=O)[C@H](COC(C)C)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1622942469 WKGHLMWVMPLCRW-KRWDZBQOSA-N 438.322 2.182 30 10 IEEE COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CNC(=O)c2ccc(C#N)cc2)c1 1624558529 BOXJGXISQUUVPA-GOSISDBHSA-N 446.301 2.251 30 10 IEEE CC(C)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@H](C)C1=O 1625721465 SATZLWYZLLBYRR-ZRSCRABMSA-N 432.565 2.489 30 10 IEEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 1629227882 WTOCETUOWHWQIX-KRWDZBQOSA-N 435.505 2.393 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 1631151374 LSNUUBGPCIELIK-KRWDZBQOSA-N 430.505 2.264 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCN(C[C@H]4CCCO4)CC3)C2)C1 1631216922 OIJMEAZKOQWBAM-NCMKUFGYSA-N 446.592 2.487 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1635273706 FMGPXKQGPTZEKE-HZPDHXFCSA-N 425.526 2.045 30 10 IEEE N#Cc1ccc(O)c(NC(=O)c2ccc(I)cc2-n2cnnn2)c1 1637620510 SYCYJLCCZYBGPV-UHFFFAOYSA-N 432.181 2.096 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(Br)cc(I)c1 1637667991 SAGPAOMMSYHLBL-SNVBAGLBSA-N 439.047 2.164 30 10 IEEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)nn1 1638491766 OCUADPMRGYGHNG-UHFFFAOYSA-N 433.440 2.473 30 10 IEEE CC(C)(C)OC(=O)[C@](C)(CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 1639781892 HFRNXUJNZDWAQR-IESBNPPRSA-N 427.501 2.319 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640978246 GGYUUYQEKMQVEM-GAJHUEQPSA-N 440.500 2.486 30 10 IEEE C[C@@H]1Oc2ccccc2N(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1=O 1641855692 SLRBCTMSOSHAIG-HNNXBMFYSA-N 437.452 2.095 30 10 IEEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ccc1F 1645084779 FKGCHVXAOQDNGV-KRWDZBQOSA-N 445.520 2.496 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1646398161 CACFMWVZJAMNKY-GOSISDBHSA-N 441.594 2.100 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)[C@@H]2C1 1652969780 UGIXLGWGCNJLGV-SKNMWMDOSA-N 432.318 2.461 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1654851208 VKNKYQUSFPVEIC-JLTOFOAXSA-N 437.587 2.105 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1664237774 OZQIOXVZASELSV-SFHVURJKSA-N 444.575 2.037 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)c(F)c1 1675263935 FSRDDZHZGMLMOA-UHFFFAOYSA-N 436.491 2.254 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@@H]1CCCO1 1689964288 KHUTUGSIVFWFHJ-FQEVSTJZSA-N 439.564 2.107 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689992698 NVMLPFVYRMKOAZ-SFHVURJKSA-N 434.537 2.321 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1 1690092655 PWPXTFAUGFLCAA-ZWKOTPCHSA-N 426.521 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)N(C)C)CC1 1690152747 WSDNLGBFHOLFJR-IBGZPJMESA-N 438.576 2.081 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690165755 JCUISOUCYKKMHG-FQEVSTJZSA-N 433.541 2.285 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690308406 MVOCPXPWTVKTSY-QGZVFWFLSA-N 427.553 2.459 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOCC)CC1)c1ccccc1 1690321524 DVHAQANIQHTLPD-UHFFFAOYSA-N 426.565 2.288 30 10 IEEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690507048 BWDVLJIUOZEARZ-IBGZPJMESA-N 430.597 2.271 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1695495916 ANLJVPWAAWDMMX-HXOBKFHXSA-N 438.532 2.069 30 10 IEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSCC2)C1 1696205770 DCKCGYXDXPACHO-UHFFFAOYSA-N 429.546 2.212 30 10 IEEE CCO[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696223991 UQXIEVYMEWHNFY-JLUOLNIDSA-N 428.537 2.467 30 10 IEEE COc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)cc(OC)c1OC 1697272727 AVTWXROUANJTFH-OAHLLOKOSA-N 442.520 2.070 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCCCN2CCCC2)c1 1698486131 SLJCIQTULAPBAG-UHFFFAOYSA-N 442.589 2.318 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1705860835 WZXSAVOHBDOHOR-GHTZIAJQSA-N 449.559 2.014 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1705876180 QNFMIHOOSCBOOT-HXUWFJFHSA-N 429.590 2.469 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705901483 MTYFZHZDWNSHOT-UHFFFAOYSA-N 428.512 2.322 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCS[C@H](C)C1 1705908152 JTTDQEMGNZGYJY-MRXNPFEDSA-N 431.562 2.500 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1705910874 QNDXETGFGOZEOM-HKUYNNGSSA-N 443.548 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705936476 RJWHKXKYEFXIAZ-FIKGOQFSSA-N 438.594 2.309 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CCO1 1708171150 DAMJBRGZTXCNTJ-AWEZNQCLSA-N 427.486 2.087 30 10 IEEE COCCCn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712398171 SVJKZSNSNYSEPE-UHFFFAOYSA-N 448.575 2.340 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722364321 FSTBDUGLGMOWSB-REWPJTCUSA-N 444.601 2.355 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCn2cccn2)CC1 1722445848 YUUHEZUSKSASEA-UHFFFAOYSA-N 435.507 2.337 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1722449273 PAKDAQFDRHXZTD-MHECFPHRSA-N 438.576 2.027 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722462093 XZKZJNUBOFEHOY-HXUWFJFHSA-N 437.573 2.425 30 10 IEEE C=CCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1722622164 GXKJAMDSKKVSNS-REWPJTCUSA-N 432.613 2.113 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC2)C1 1722716809 YVRHPPALFUHRKK-GOSISDBHSA-N 431.562 2.387 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722865926 LSPYKPUQPWCVSA-KURKYZTESA-N 445.593 2.084 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC(F)(F)C1 1723928516 HLHKFTKFPFMXSP-ZFWWWQNUSA-N 430.525 2.454 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCCOCC(F)F 1726641289 CNZIHSVDDAFMIL-OAHLLOKOSA-N 446.506 2.279 30 10 IEEE CCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)cs1 1727471751 WUFADYFNRPTPAR-UHFFFAOYSA-N 430.559 2.365 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C1 1728412241 GYWIIUGXQNGUPP-IBGZPJMESA-N 444.605 2.420 30 10 IEEE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1729594754 BHRHPAPDFBBLRT-LEWJYISDSA-N 425.493 2.050 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2F)CC1 1740639371 URBVUEWWTNOSTA-MRXNPFEDSA-N 444.507 2.263 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740750612 DHFDIDWHUZIVSP-CTNGQTDRSA-N 432.613 2.373 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740788324 ROIWKXFFOYGWIT-UHFFFAOYSA-N 449.577 2.064 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@H]1C 1740969691 VJEATLJYDAAWIV-MJGOQNOKSA-N 425.533 2.452 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1740997739 BELOMBYUTWCAAF-UHFFFAOYSA-N 431.562 2.168 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC(F)(F)CO1 1741477817 GLKCRVOOKPJACJ-JKSUJKDBSA-N 446.506 2.278 30 10 IEEE C[C@@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1742952287 DHXCWKVCPDPLLG-SJLPKXTDSA-N 438.532 2.103 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1743886637 BIGPYOWQZLYWBJ-SBUREZEXSA-N 438.532 2.117 30 10 IEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1747533184 PVFDULOLGYRCLQ-UHFFFAOYSA-N 435.488 2.148 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1748846289 FWCGZYRRRVEOPZ-XZOQPEGZSA-N 433.556 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCN1CCOC[C@@H]1C 1748902607 HKNWDJIPCPGNKC-FQEVSTJZSA-N 437.544 2.049 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCN1CCOC[C@@H]1C 1748956087 IFUWSAXLIUNYSJ-IBGZPJMESA-N 434.544 2.300 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCC(C)(C)C2)CC1 1748971085 CDIDFNNKILQVGA-UHFFFAOYSA-N 443.640 2.074 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2CCCCC2)n1 1748971176 GEPYEGKKQWBCRP-HXUWFJFHSA-N 439.564 2.292 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC(OC(C)(C)C)C2)CC1 1748971560 VJQCAWAKPTUMID-UHFFFAOYSA-N 442.608 2.253 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749032040 RWMYAJSLVCPAIF-UHFFFAOYSA-N 448.552 2.375 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749129432 DEHOBKFMHUOGLU-NCYKPQTJSA-N 433.597 2.310 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749358645 CQFAEMKOCSXEQA-UHFFFAOYSA-N 449.563 2.191 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1749686000 OCOMRGULSCPKNT-ICSRJNTNSA-N 446.573 2.409 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)(F)C(F)F)n1 1751624314 YHXQFQKGHVXKKN-CYBMUJFWSA-N 428.390 2.294 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCCC1 1760173429 VIIDMDNYTSPIQS-UHFFFAOYSA-N 443.573 2.211 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760204761 BHFMGOHDBOSVNB-QZTJIDSGSA-N 426.590 2.206 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nnc(CC)s2)CC1 1760263603 IHMDRNNJJHUAEN-VQIMIIECSA-N 443.621 2.414 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760305457 GQSGRLCDNHNOCO-CQSZACIVSA-N 437.342 2.362 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760306178 DAVSJBKFSMKIGC-UONOGXRCSA-N 439.314 2.350 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COC)C1 1760312536 AAVHHGUMQJOSRH-LNLFQRSKSA-N 426.521 2.379 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](CC(N)=O)C1 1760313947 RDGPLZKFLPDMFC-ZWOKBUDYSA-N 446.596 2.270 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C1CC1 1760333770 IRHXVNCLCGGUAZ-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760353457 SHWFUTCRJVIRNH-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CCOC)CC1 1760389302 HURIVEMXNYLUNM-QHCPKHFHSA-N 441.580 2.396 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760442160 HUIOSLSFRZZWPH-SFTDATJTSA-N 443.640 2.362 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC1CCCCC1 1760461469 VEIJLLPUQFHEPR-UHFFFAOYSA-N 445.593 2.309 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1)C1CC1 1760469298 CFYLUHJSBMLOHK-QGZVFWFLSA-N 445.589 2.224 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@H]1C 1760528142 TUXYZJMVHDOECG-CVEARBPZSA-N 431.562 2.498 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760552639 VTSGHYPSVUKHEO-UHFFFAOYSA-N 443.577 2.296 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1760569275 JVSGQCCLAJTZEE-UHFFFAOYSA-N 446.577 2.246 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1763088770 YHRLDYGDKKUZKJ-JLGINSKQSA-N 438.576 2.381 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1763656489 AKFTYFPFEFKGNY-HXUWFJFHSA-N 449.559 2.228 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1766183256 AALKRMNARHIHBD-IBGZPJMESA-N 437.548 2.084 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1766867860 FSENWCPHRJLNJL-OALUTQOASA-N 438.532 2.070 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNC(=O)c2cccc(O)c2)cn1 1767455822 HXFXYFYNKDDHAD-QHCPKHFHSA-N 448.531 2.334 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1769326500 XLXIQKFEHUFGGH-UHFFFAOYSA-N 444.421 2.188 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(OC)nc1OC 1770177659 QLYRTNNISXWYMM-ZVZYQTTQSA-N 430.509 2.058 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1770666675 ACCPNYYAKMCNOY-AYOQOUSVSA-N 447.923 2.291 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CC1 1770753073 ANHGITNGCNGRIR-KRWDZBQOSA-N 425.468 2.137 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1771342917 FSICQWVDTNSMSY-HXUWFJFHSA-N 426.477 2.234 30 10 IEEE N#Cc1ccc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)c(Br)n1 1851158752 FXWCZCABAJFHLD-UHFFFAOYSA-N 449.330 2.198 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c1C#N 1852687602 YPCUOYWJQHXWKW-UHFFFAOYSA-N 447.421 2.343 30 10 IEEE COc1cccc(-c2n[nH]cc2C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1 1853011692 JCJSULINCSBFMX-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE Cc1ccc(C(C)(C)CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854416052 VQPCYNPKFFCJPW-UHFFFAOYSA-N 431.558 2.500 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2ccn(C)n2)CC1 1854426568 WRYCYIITYFXZLW-UHFFFAOYSA-N 428.514 2.271 30 10 IEEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2(C)C)cc1 1857165394 CMMXECSYBZNSDA-UHFFFAOYSA-N 425.510 2.460 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)ccc1S(C)(=O)=O 1861002284 QCUJSLWHAXVKNK-MJGOQNOKSA-N 438.590 2.451 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)COc1ccccc1OC 1861782414 UYGSVITTYKHLKU-IBGZPJMESA-N 426.469 2.029 30 10 IEEE CCOC(=O)CCN(C)C(=O)[C@H](CC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868794378 BTJIFEKGZNEODW-ROUUACIJSA-N 448.589 2.331 30 10 IEEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874274037 OHXCSSYESCKDRC-QCXKMSLLSA-N 444.561 2.251 30 10 IEEE COc1cc(/C=N/n2c(SC)nnc2[C@H]2CCCO2)ccc1OCCN1CCOCC1 1874442173 VGSUJABJGZBBNF-GNFOSXPUSA-N 447.561 2.453 30 10 IEEE COc1cc(OC)c(OC)cc1/C=N/n1cnnc1SCC(=O)Nc1nccs1 1874537440 CVVDWIPYYDHOQA-DNTJNYDQSA-N 434.503 2.373 30 10 IEEE COCCn1cc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)cn1 1889349933 FIQLLJOJRHFMLY-WOJBJXKFSA-N 427.530 2.433 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)CC1 1889665446 OPLPNIHVMQOAAV-UHFFFAOYSA-N 435.572 2.339 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1891758151 NEEWMGGNVOZZTA-KRWDZBQOSA-N 447.495 2.162 30 10 IEEE C#C[C@]1(Oc2ncnc(I)c2OC)CCN(C(=O)OC(C)(C)C)C1 2012488000 ATXQRJAPORZIKD-INIZCTEOSA-N 445.257 2.481 30 10 IEEE CN1C[C@H](C(=O)Nc2ccc(C#N)cc2Br)N(C(=O)OC(C)(C)C)CC1=O 2181147251 KOBRUJOKBRFRCX-CQSZACIVSA-N 437.294 2.337 30 10 IEEE CC(C)(C)OC(=O)N(O)CCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243685560 XBWFHTWCINSZFV-UHFFFAOYSA-N 427.332 2.075 30 10 IEEE C=C(CS(=O)(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2248575229 ZEYAWIFPEUWQDS-WBVHZDCISA-N 439.339 2.152 30 10 IEEE CN(CC(C)(C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255627871 ZMOOHZJVBODFID-UHFFFAOYSA-N 436.362 2.332 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267487985 FUUYIZANZDUBMU-MJGOQNOKSA-N 438.381 2.217 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505877 OXNXBRIKRYTICJ-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 2267530005 SQQIIQPTHQOTTB-UHFFFAOYSA-N 448.373 2.205 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NCC[C@@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2267575629 ICQIYOIIBVLDEL-HXUWFJFHSA-N 439.365 2.335 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267593757 WHODZNCLNPLECZ-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267725936 HLIPYLJNKHPIMJ-UHFFFAOYSA-N 438.333 2.422 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2301662548 PVDKJFDNRYFJLM-ZDUSSCGKSA-N 440.371 2.317 30 10 IEEE O=CC1(Cc2ccc(I)c(Br)c2)CS(=O)(=O)C1 2306249734 SAXRDVOUACBVEO-UHFFFAOYSA-N 429.073 2.210 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CC[C@H](B4OC(C)(C)C(C)(C)O4)C3)nn2)C1 2342468730 JTHXJMFCTQLUFV-AWEZNQCLSA-N 447.345 2.378 30 10 IEEE CC(=O)NCc1ccc(C(=O)N/C(=N/c2ccc3c(c2)OCO3)NC[C@@H]2CCCO2)cc1 15828183 HKRCTMRESJADQS-IBGZPJMESA-N 438.484 2.238 30 10 IEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)NCc2ccc(C)cc2)c1=O 21655872 LUCGLSTXMZGCOI-UHFFFAOYSA-N 441.557 2.277 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)s1 59844087 WAHXMDMXMIEKJE-FRKPEAEDSA-N 433.479 2.304 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1)c1ccc2c(c1)OCO2 254747441 FJPKCEIJFJMZNH-QFBILLFUSA-N 444.534 2.369 30 10 IEEE C=CCN(C(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1nc(C(=O)OCC)cs1 409813485 BFPKEHJMVPAVTM-UHFFFAOYSA-N 428.470 2.204 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 460557491 VCJSOWZKZJRJLA-OALUTQOASA-N 431.562 2.311 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(C(C)=O)C[C@H]2C)cc1[N+](=O)[O-] 478938997 QDKPZEGJANTKMJ-CQSZACIVSA-N 440.460 2.073 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 479036095 RKWRMAGHSZXLHP-HXUWFJFHSA-N 439.466 2.469 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 483475175 LBPUSLDZPPTKMR-HNNXBMFYSA-N 428.518 2.295 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C#N 489064519 YZBPZYLXLUCPAT-UHFFFAOYSA-N 428.470 2.030 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489136475 QQUWSQRWAUIHDB-IBGZPJMESA-N 448.932 2.136 30 10 IEEE CS(=O)(=O)c1csc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 502191903 NVKHSRUBKRZUOO-UHFFFAOYSA-N 429.527 2.154 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 504093147 POIYNQVOAVRXKI-JOCHJYFZSA-N 433.480 2.137 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCC#N)Cc2ccccn2)C1 505187275 JGXDOUKTNHWRFL-KRWDZBQOSA-N 431.518 2.030 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@](O)(C(F)(F)F)C1 508955056 ZPCLTDBQACFESI-KRWDZBQOSA-N 444.483 2.318 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 522284505 WGYIVJQBUCHJAH-UHFFFAOYSA-N 448.491 2.420 30 10 IEEE Cn1c(=O)n(CCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c2ccccc21 523673772 IMKUEMHZJWKPQC-IBGZPJMESA-N 435.509 2.142 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)ccc1[N+](=O)[O-] 539942522 QNBDZAZQFKZKJJ-UHFFFAOYSA-N 441.509 2.355 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 543913548 XZAXRCWZNRLAES-UHFFFAOYSA-N 427.873 2.484 30 10 IEEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)cc1 544864358 BOSPYMVTTVICFP-UHFFFAOYSA-N 435.509 2.263 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCc1nnc2ccccn12 550192966 WHWDQDQCKBDZKJ-UHFFFAOYSA-N 446.280 2.462 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 558640408 OQHJLKORVYPGMR-LJQANCHMSA-N 439.560 2.186 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 559003282 HBYPTDJUKQUXDV-IEBWSBKVSA-N 432.546 2.041 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccc3C(C)=O)CC2)cc1 565414663 WKLBKVYUQQHYHA-UHFFFAOYSA-N 441.509 2.448 30 10 IEEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCN(c2cnccc2C#N)CC1 584208808 RPMTWJVOTHTXOC-UHFFFAOYSA-N 429.528 2.194 30 10 IEEE C[C@H](c1cccc(F)c1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 729271873 HLPHEGSIQPVKQP-MRXNPFEDSA-N 444.532 2.160 30 10 IEEE COc1cc(CN(C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(SC)cc1OC 741409482 GGFSZYYUIQERNT-VHEBQXMUSA-N 434.518 2.094 30 10 IEEE C[C@@H](CC(=O)NCc1ccc(CN2CCCC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742488488 CEPFJGRZZUEFOW-KRWDZBQOSA-N 440.569 2.416 30 10 IEEE C#CCN(C(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 743746304 HWGNWQXNQUKKOM-RTBURBONSA-N 434.558 2.161 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)ccc1Br 746373185 ZENCMADWPKORJH-OAHLLOKOSA-N 430.327 2.186 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 747268904 GYGGNGAJCMPXAE-FNUUXAGOSA-N 425.510 2.271 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOCc1ccc(Cl)cc1 754108675 ABWKYDHRMXNQEF-UHFFFAOYSA-N 435.933 2.492 30 10 IEEE CC(=O)Nc1ccc(O)c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 755166813 BOEDBPTUEZKVGT-NMWGTECJSA-N 430.486 2.416 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CCCCC1 760405535 HLTGRSGSGRVZEW-ZDUSSCGKSA-N 425.457 2.238 30 10 IEEE Cc1cc(N2CC[C@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)ccc1Br 765915940 PFBVIQHIPDUORD-AEFFLSMTSA-N 446.349 2.245 30 10 IEEE CCCCn1nc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C)c2ccccc2c1=O 800733972 FUKYMDUNFXMXRL-QGZVFWFLSA-N 432.532 2.169 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2Cc2ccccc2)cc1 802182610 JROROOOXCQVTAU-LJQANCHMSA-N 430.468 2.418 30 10 IEEE COc1ncccc1CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 810165467 SXXQFRQLQLHNNV-HKOYGPOVSA-N 431.518 2.267 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 811707494 CQGASEOACHRITM-UHFFFAOYSA-N 430.877 2.295 30 10 IEEE C#C[C@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccc(Cl)cc1 811948363 BYGDDMZGTYTWIA-SFHVURJKSA-N 435.933 2.023 30 10 IEEE CC(C)NC(=O)CSc1ccccc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916774923 FRQFTBBFMGIDLE-UHFFFAOYSA-N 431.539 2.435 30 10 IEEE CNC(=O)CCSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084006314 KZJSUATYNXUCMS-UHFFFAOYSA-N 427.538 2.039 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c1 1141413668 CWZIMFZDZCWPAG-UHFFFAOYSA-N 436.511 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c(c1)OCCO2 1286273259 HNGRMUUYIGOTIJ-INIZCTEOSA-N 432.484 2.397 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286360407 TVWZAPDEZUZHJE-UGKGYDQZSA-N 428.537 2.044 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1286387855 JCMNLPOZLHCEHC-NRFANRHFSA-N 446.536 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCC(=C)C 1286408057 ABGLJWQMGIGQGP-UHFFFAOYSA-N 430.512 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC1CC1 1286438820 IWAVOMGNXAEWKW-UHFFFAOYSA-N 427.512 2.120 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(N)=O)c1 1286530391 NDNVMXLXUNMFNO-MZLICYQSSA-N 437.544 2.336 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)C1 1286806773 DVELZCKYAWHDOG-INIZCTEOSA-N 441.429 2.468 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1286967263 CNMMANQAUJYZAM-SJORKVTESA-N 448.568 2.442 30 10 IEEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)C(=O)OC(C)(C)C 1291991437 UPJWUNXPVJJCIM-UHFFFAOYSA-N 437.562 2.202 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1298583688 QCLVSCIONRWGSA-FQEVSTJZSA-N 441.532 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N(C)C 1300294252 YOQOTXNKGFTZNP-ZDUSSCGKSA-N 440.367 2.057 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(c2ccc(Br)cc2)CC1 1300405085 OLWRKZBWNLIMDR-VHEBQXMUSA-N 433.306 2.014 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1300431343 FXMBNWSGOSFKJS-QFIPXVFZSA-N 430.505 2.074 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300547174 HZGUNDITJNDUFA-DVECYGJZSA-N 436.512 2.277 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCO[C@H](C)C2)CC1 1300721908 CRNCVXIGKCTVSA-MOPGFXCFSA-N 436.560 2.429 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1300767891 GYJACKIWDDFMQR-UHFFFAOYSA-N 447.996 2.458 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1300805978 MQHMLLZAMFOOCC-SMDDNHRTSA-N 437.310 2.160 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1(C)C 1300838362 KSQJRIOUMYVQEB-MBSDFSHPSA-N 438.532 2.068 30 10 IEEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301189700 ZSYNYNCCHQQESP-UHFFFAOYSA-N 430.597 2.494 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301289837 RZBKRTAVKVPKOI-HKUYNNGSSA-N 430.578 2.475 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(C)CC2)C1 1301566120 KKZAKLCOYNWTST-FQEVSTJZSA-N 430.597 2.304 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1309607307 XHFPNTHHMHRXEE-WWNBULGVSA-N 442.603 2.223 30 10 IEEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1315763491 HCXZKJIYZYIQDE-UHFFFAOYSA-N 446.577 2.007 30 10 IEEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NC2CCC2)[n+]2cccc(CO)c2)C=C1 1330265451 APSDEEPQDXLTQQ-UHFFFAOYSA-O 434.563 2.003 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(O)nc(C)nc3c2)c1 1355996341 KFSUEVVTJCLHFQ-UHFFFAOYSA-N 430.464 2.131 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358932788 WDFDSZMKWXXNBN-NQIIRXRSSA-N 440.617 2.333 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358967565 NBKSPHOOWSKVGN-LJQANCHMSA-N 446.573 2.217 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2oc(CCC)nc2C)CC1 1359038350 SYNDGYZGOKYTRC-UHFFFAOYSA-N 436.564 2.192 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1359193705 IJJCTSYNMBXOHJ-LEWJYISDSA-N 438.576 2.358 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(N)=O)CC1 1359224299 MGBLVIMSNKLTJW-UHFFFAOYSA-N 427.505 2.011 30 10 IEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359225087 MMLXMOLRBQRBQG-UHFFFAOYSA-N 439.495 2.264 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359304154 OBDLOMDZQQPVIF-UYAOXDASSA-N 425.533 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1359332596 BMPFSQBEJXFKES-UHFFFAOYSA-N 441.598 2.277 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCc1cnn(C)c1 1359855184 FASXCJJKUUGOGH-SFHVURJKSA-N 448.579 2.220 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1c[nH]c2ccccc12 1360671372 FDEQUGPOKCLSDR-OAHLLOKOSA-N 441.561 2.352 30 10 IEEE C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1443531308 MJDJYFTXAULRAT-UHFFFAOYSA-N 429.542 2.251 30 10 IEEE CN(CCOCCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C(=O)OC(C)(C)C 1470847748 AWPZPFLMNHJTHL-GOSISDBHSA-N 446.552 2.423 30 10 IEEE CCn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)cn1 1502226752 HQQCCOZTJGOLKQ-FQEVSTJZSA-N 443.508 2.055 30 10 IEEE COC[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504572438 HMMXHTJJKXBRNG-ZHALLVOQSA-N 440.552 2.179 30 10 IEEE COCCOCCCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505043855 VKHRNPQTKBAEDI-UHFFFAOYSA-N 437.504 2.251 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@H]4CCOC4)n3CCOCCCO)CC2)c1 1505318323 VMYSNUGXQGKEQT-IBGZPJMESA-N 441.532 2.100 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1507516835 MZEOWQMUGQVMSI-MNOVXSKESA-N 446.396 2.219 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1507591078 IOYPXAULRSJZHD-CEXWTWQISA-N 449.621 2.115 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCC1 1507609069 WGOWDVFKBDJPQP-QGZVFWFLSA-N 429.594 2.040 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507620507 GWOBVDSNLJPVCI-SFHVURJKSA-N 437.466 2.232 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507630984 KLFANFRCPPIAIE-MJGOQNOKSA-N 443.573 2.090 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(Cc2ccccc2)CC1 1507653953 XQYXDEHADCNPER-JOCHJYFZSA-N 430.556 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](C(F)F)N1CCOCC1 1507666554 BPRNIJGBZNMSKI-OALUTQOASA-N 435.519 2.339 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCC1 1507714788 WGZZUWFHAMKJGN-HDICACEKSA-N 447.580 2.440 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1507761261 IWKWOZXETATOQT-JOCHJYFZSA-N 433.520 2.312 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507855522 WTWCXGSNGWOKMC-SJLPKXTDSA-N 439.004 2.496 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507859424 VWXMYKWTIFSLRM-INIZCTEOSA-N 425.880 2.042 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1508017427 CCKJLAUMHOMPIZ-UHFFFAOYSA-N 435.532 2.495 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1508020083 NNIQAPPYGGCWGY-DLBZAZTESA-N 441.623 2.075 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@](C)(CC)O1 1508040405 WQDDKGFFYQZFPZ-MBOZVWFJSA-N 426.583 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](C)C1 1508079634 AXNXTCPZXUMKSN-MRXNPFEDSA-N 445.593 2.167 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)CC1 1508105417 NMBBUBJRSPBYJL-UHFFFAOYSA-N 425.514 2.188 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNC(C)=O)C1 1508111456 FUBVVCSKCZOHKO-GOSISDBHSA-N 427.505 2.024 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCc2oncc2C1 1508136521 TXRHHEOEBPSVTO-UHFFFAOYSA-N 429.502 2.105 30 10 IEEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1 1509436624 SIZJWWGVQDRROQ-QZTJIDSGSA-N 445.955 2.079 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1510327405 WETIWARUYUYKHD-MSOLQXFVSA-N 429.546 2.255 30 10 IEEE CCc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)no1 1513739992 CLUTUPUQGYTZMW-MRXNPFEDSA-N 427.896 2.439 30 10 IEEE Cn1nc(I)cc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1515221673 ZCVWGLLQIGPGTE-UHFFFAOYSA-N 436.188 2.473 30 10 IEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1518971340 DOYHYXAXYFEBPV-KKSFZXQISA-N 431.562 2.458 30 10 IEEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1519091367 ZQKBIXHRHLIOGE-UHFFFAOYSA-N 436.520 2.130 30 10 IEEE N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1 1525482368 HVPSBJQCPPWWBO-QHCPKHFHSA-N 429.524 2.254 30 10 IEEE COc1ccc(CN2CC[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)cc1 1530557698 XCJWYWWSIZINFW-RBUKOAKNSA-N 444.532 2.499 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@H]1C(F)(F)F 1537407834 FBYQENMHJNKGIW-HZPDHXFCSA-N 437.422 2.350 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1539065991 OMCZYLABSJAXQY-LJQANCHMSA-N 438.507 2.021 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1539202404 HWJIJXRKSPBXIX-QGZVFWFLSA-N 446.573 2.268 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCO[C@@H]1C 1539251032 XCZDFRDCMPEWBV-JLTOFOAXSA-N 447.308 2.459 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539520994 ZQGIXAWTVRLHDV-KRWDZBQOSA-N 441.667 2.341 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CN(CC(C)C)CCO1 1539538999 NVALNBHGZNHQLX-MIZPHKNDSA-N 433.597 2.351 30 10 IEEE C=C(Br)Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@@]1(OC(C)C)CCOC1 1539608858 FTVSRXIEIGXUQC-FZKQIMNGSA-N 444.374 2.046 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1539751279 JZODWVCSCFMCRM-OALUTQOASA-N 438.594 2.168 30 10 IEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1540037197 DOFKXNCVOQVNPG-UHFFFAOYSA-N 430.528 2.452 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N(C)C)Cc2ccccc2C1 1540196208 UEFZTUADSHQAGB-UHFFFAOYSA-N 433.560 2.473 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 1540734426 HMGRNOJHZNRFJO-HXUWFJFHSA-N 432.540 2.371 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1540875938 CHVYALJKOIXGRB-JPYJTQIMSA-N 443.523 2.365 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN(C(C)C)C(C)C)CC2)c1C#N 1543001847 FEFCQCWDYSMJDU-UHFFFAOYSA-N 427.601 2.336 30 10 IEEE C=C(Cl)C[C@H](NC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)C(=O)OCC 1544338442 FUKWAIYIFDDONO-AWEZNQCLSA-N 432.851 2.436 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1555070327 HHXYTKRKHTYFSV-XXBNENTESA-N 442.539 2.166 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(CCOc2ccccc2)nnc1N1CC=CCC1 1556022686 LILYXUKMCBNIBH-DQRAZIAOSA-N 434.500 2.192 30 10 IEEE CCO/C=C\[C@](O)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(F)(F)F 1556794290 GTHDJQVRHHRIDI-CCCPALQASA-N 434.436 2.337 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 1557341570 WHCDRGKTCRZYJI-YCRPNKLZSA-N 447.944 2.389 30 10 IEEE C#CCN(C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)[C@H]1CCCc2ccccc21 1558540619 FHQLMTQDEUJVGG-NRFANRHFSA-N 445.523 2.260 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)C1CCOCC1 1565106277 QFYZXJGWVJVEPV-GOSISDBHSA-N 434.334 2.231 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1565224435 CVKMAQQVHIWRSN-IBGZPJMESA-N 442.564 2.345 30 10 IEEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)C#Cc2cccs2)c1 1568733962 WPEKHNLJRQFLGN-UHFFFAOYSA-N 427.345 2.265 30 10 IEEE C=CC1(CC(=O)NC2CCN(CC(=O)N(CC)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1568757982 XIKWTNYMPSQUBP-UHFFFAOYSA-N 436.597 2.249 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC)cc1C(F)(F)F)c1cc[nH]n1 1584188593 XEUYDUPBLNEKLA-UHFFFAOYSA-N 428.367 2.037 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1587677678 KKUDQBXBWMKMJV-ZMPRRUGASA-N 430.553 2.286 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588041645 YYRKYVUIFGCXDZ-LJQANCHMSA-N 439.541 2.419 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588044738 BPYCOMAIEHDFDI-JKSUJKDBSA-N 444.586 2.171 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588049895 MYFGSDXFTLDCAH-QGZVFWFLSA-N 428.562 2.188 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc2cc(OC)ccc2n1C 1588262922 MMQCJDXGMDSRFO-UHFFFAOYSA-N 444.499 2.329 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)C1CC1 1588550784 XUDHDAIZBGHUQV-LJQANCHMSA-N 425.508 2.477 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1588844640 MMRRXASPBWVDTR-MRXNPFEDSA-N 446.979 2.484 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1597571105 LSZALNPSECVMON-NRFANRHFSA-N 449.531 2.147 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCSCCCO 1611301833 AXMALAWLHVMXOM-CQSZACIVSA-N 427.534 2.448 30 10 IEEE C[C@@H]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1NC(=O)C(F)(F)F 1617704118 CFXNWPIMWWSGJF-RDBSUJKOSA-N 434.459 2.489 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C(C)(C)C)no2)CCO1 1618693610 LGOFQIBQUIVKSG-SFHVURJKSA-N 449.515 2.102 30 10 IEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1619043147 XVRVZXCUPPXUOJ-UHFFFAOYSA-N 438.532 2.260 30 10 IEEE COC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]([C@H]2CCCO2)C1 1620605226 CTSIYGLAKNEBKL-NSISKUIASA-N 437.500 2.115 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)s1 1622703937 QOJMVSHHQJHDPA-GOSISDBHSA-N 433.599 2.488 30 10 IEEE COC(=O)CC1(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCOCC1 1623941526 AZKJEOBRTHIYJZ-MRXNPFEDSA-N 425.526 2.440 30 10 IEEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc2nc(O)oc2c1 1630982274 DDRZNNPGRSCSKJ-GFCCVEGCSA-N 428.470 2.230 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1 1634716628 BYYAAPAFTFRQCB-HNNXBMFYSA-N 446.378 2.485 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1OC 1635136085 IOXIWSSWZQAPHX-ALCCZGGFSA-N 439.390 2.414 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@H](C(F)(F)F)O1 1637260120 XTRDNTRDPNDURI-DAXOMENPSA-N 438.406 2.332 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2c(I)cnn2C)C1 1639270207 RCILXACWXVVWES-AWEZNQCLSA-N 435.269 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1 1642605847 BONQSLVHGMVOIV-FYYLOGMGSA-N 444.507 2.441 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NOc1cccc(C#N)c1 1643518103 SXABJUPQAVRFHK-HXUWFJFHSA-N 445.497 2.133 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1643985643 MOIBSKSCTPRRHA-KRWDZBQOSA-N 427.461 2.198 30 10 IEEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1655044545 GWIFLFGIAQJDFL-IFMALSPDSA-N 447.601 2.447 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](CO)CC2CCOCC2)cc1Br 1655166178 FIGYPXIIMGTGOA-LBPRGKRZSA-N 435.315 2.163 30 10 IEEE COCc1nnc2n1CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C2 1659314800 XGEPONUAUTYXQC-UHFFFAOYSA-N 433.516 2.217 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 1674060152 MDXGEBWZOOCHNT-ZDUSSCGKSA-N 430.415 2.133 30 10 IEEE Cn1cc(CNC(=O)N2CCc3c(CC(N)=O)cccc3C2)c(-c2ccc(C#N)cc2)n1 1680014124 OGFAEQUNMRZGQX-UHFFFAOYSA-N 428.496 2.254 30 10 IEEE CC(=O)Nc1ccc(OC[C@H](O)CN(C(=O)NCc2nc(C#N)cs2)C(C)C)cc1 1684392964 HEIJQVBHZQMAKT-QGZVFWFLSA-N 431.518 2.333 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)CC1 1686571811 DYSGYEZPMZTUNH-UHFFFAOYSA-N 427.871 2.468 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)c1 1689828789 ROHDDTGUAJBVGA-RBUKOAKNSA-N 427.549 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1689850385 ATFDFQZOPCQSDT-HKUYNNGSSA-N 442.589 2.072 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NCC 1689977840 FCNHOQMOJLQFEU-IYBDPMFKSA-N 432.569 2.281 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689992088 HFNKLDKQALKSLG-AWEZNQCLSA-N 430.427 2.197 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2CCCO[C@H](C)C2)CC1 1690143766 AVPANSBGCKQLAZ-LJQANCHMSA-N 442.608 2.012 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1690190517 XLUVJEOUEPWYQP-DBXWQHBBSA-N 436.626 2.145 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690253395 PYJARDGHNONMEA-URVUXULASA-N 432.613 2.012 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690327065 IWPUKDBOUDZEIR-DLBZAZTESA-N 445.955 2.225 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1690365874 JNUDXEIXBOISEA-QHCPKHFHSA-N 433.597 2.322 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)CC[C@H]1C 1690669282 ZZLPLXXGPBTAAU-JKSUJKDBSA-N 445.593 2.165 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)F)c1 1690993628 OGPMNNYICWVHNR-CHWSQXEVSA-N 426.493 2.470 30 10 IEEE C[C@H]1CCCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1693681036 IPTJYRFXZKZBGV-PGRDOPGGSA-N 431.560 2.468 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@@H]1C 1693708304 ARHPSXXMNBRHKP-SJORKVTESA-N 428.562 2.335 30 10 IEEE CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1693739588 CFODDBOPQDQRGA-IBGZPJMESA-N 434.610 2.042 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1693893299 NZSDEXDOJOXAGZ-XXBNENTESA-N 438.532 2.117 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2c(C)cccc2C)CCOC1 1696084959 CIICTSVHPCLNTE-AUSIDOKSSA-N 441.532 2.355 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)c1 1697522477 AEZDURAGUXEHKI-PXNSSMCTSA-N 427.505 2.126 30 10 IEEE COC[C@H]1CCCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697844398 XZHVFAWXUZQEAL-YGCDDZCOSA-N 428.537 2.325 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(F)cc1 1698171690 ZONMOQZGDGJCJA-JXFKEZNVSA-N 428.512 2.366 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1698493131 IYNJMQRIWAHIBL-KGLIPLIRSA-N 437.426 2.300 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1698494561 WVXXBVHCGNHOLP-QZTJIDSGSA-N 432.475 2.030 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1705476558 BKOYDEYPEJCAQV-HOTGVXAUSA-N 431.562 2.087 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705512818 PNSUFWMJAPVNIM-INIZCTEOSA-N 432.546 2.389 30 10 IEEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1705513060 YXJCAKIBTUEHTP-UHFFFAOYSA-N 426.546 2.282 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1nc(C)no1 1705541001 WBAVHZJOLXGSHZ-UHFFFAOYSA-N 427.896 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1F 1705598618 MPIMVCSQVWYBDP-MSOLQXFVSA-N 444.532 2.250 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCC[C@H]1C 1705627058 SIPFOXPOIZZREU-QGZVFWFLSA-N 435.532 2.164 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)SC)CC1 1705632300 LTYILWHRAJPIGI-MRXNPFEDSA-N 447.008 2.368 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705649702 FBBPKFNVFZVHMW-OFNKIYASSA-N 448.571 2.211 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1705665105 JXVUNXKNJBEAHK-GCJKJVERSA-N 449.621 2.038 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1705701071 CBJWPNVNDWKDBW-MDOVXXIYSA-N 431.487 2.440 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1705704265 RPTOEVMMAZMLKC-KBXCAEBGSA-N 447.494 2.153 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-n3cncn3)nc2)CC1 1705776328 DIZBKDPCKZPABO-QGZVFWFLSA-N 438.536 2.429 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705826370 CHLVHKSYFNHRRX-ZDUSSCGKSA-N 437.342 2.295 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705884123 GXHJKEFFPDCIAS-RTBURBONSA-N 437.610 2.389 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1706074182 WPQJJPKRJGDDKH-OAHLLOKOSA-N 441.536 2.250 30 10 IEEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCS(=O)(=O)C1 1711967386 GFYDANASRZKUSI-DLBZAZTESA-N 431.562 2.298 30 10 IEEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722326933 AFUBCAYRFCZSIX-UHFFFAOYSA-N 436.560 2.495 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1722437504 UMPCGKNZAMXVOB-MBSDFSHPSA-N 443.979 2.488 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCc1cnn(C)n1 1723334390 HNZXKVJSNLPSNT-UHFFFAOYSA-N 433.564 2.436 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CCO1 1727835078 IALVKJCZDQTSTA-ZVDOUQERSA-N 441.532 2.395 30 10 IEEE COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)cc1OC 1730062025 QLPYWZKVMHJFCS-CQSZACIVSA-N 436.472 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nnnn1CC1CC1 1740543364 NPBWQZWQYYMMQU-HNNXBMFYSA-N 436.520 2.255 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740598261 KGLDYMSYLXVMAS-DLBZAZTESA-N 430.553 2.229 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1COc2ccccc2O1 1740631507 JVKAGHLFOAWNHE-YADARESESA-N 436.512 2.232 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCc2sccc2C1 1740633217 ZYZHWMKFCPLVSF-HSZRJFAPSA-N 439.585 2.123 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740715895 PNENPZJMQYXFQN-UHFFFAOYSA-N 438.542 2.448 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1740724734 HXYQIIIQOZMIKO-LVCYWYKZSA-N 436.626 2.001 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1740729543 JGAJQRLXXBIMKM-JOCHJYFZSA-N 438.557 2.425 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1740777461 CFNCMZBRWUYHRP-MRXNPFEDSA-N 433.578 2.341 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740889727 JQGUOMIVZMPMPL-XUVXKRRUSA-N 449.596 2.131 30 10 IEEE C=CCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740949483 HYAIPIJMADLTLR-QHCPKHFHSA-N 443.523 2.493 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1740959946 HSZRUZVRLWHECF-HSALFYBXSA-N 430.597 2.175 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(ccnc2O)C1 1740966830 YAMFHEPVKHLKQM-IEBWSBKVSA-N 440.548 2.162 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(C#N)CC1 1740993489 CEFGFWCKZQRNGF-UHFFFAOYSA-N 433.509 2.337 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1741131118 DFKAXPOOJMLYLC-YJBOKZPZSA-N 445.545 2.211 30 10 IEEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1743361884 DYUVQAJGKSYYOI-GOSISDBHSA-N 432.532 2.006 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1749053860 MWRMKIMCMXSBCS-SGXKBVARSA-N 442.589 2.396 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1749596341 WMYPVRANCSQRFN-UHFFFAOYSA-N 427.530 2.431 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](COC)C1 1749650538 AUFAQIPIHGIKQA-RBUKOAKNSA-N 443.548 2.189 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1749665772 CAUNJWSDJRFXTJ-CVEARBPZSA-N 435.532 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749732052 OFHMFHBWPUNFHK-UHFFFAOYSA-N 449.621 2.375 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@H]2CCCO2)CCO1 1750388855 TYSXFLSTNXZRII-SJORKVTESA-N 447.486 2.462 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCOCC1 1750417106 AKZITAVTQWTREW-CZIZESTLSA-N 442.907 2.352 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1750578810 DHKZWSHYWHHESM-RXVVDRJESA-N 431.562 2.237 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1751094148 FGCIHTNIDCQWMJ-BZUAXINKSA-N 431.541 2.367 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(=O)N(C)C)CCCC1 1751981378 GSMIHKLGMNISGQ-QGZVFWFLSA-N 449.559 2.132 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@@H]1CCCO1 1760102713 PDDHOOSHSNVPET-MJGOQNOKSA-N 446.573 2.392 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(Br)c1 1760201446 BHHVHFQVRYGRIF-INIZCTEOSA-N 442.317 2.121 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCC)CCC2)CC1 1760271503 ZUIHLONEIKGFIX-UHFFFAOYSA-N 440.592 2.337 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)CC)CC1 1760273423 TXRAMYIUVILDHQ-OALUTQOASA-N 431.581 2.404 30 10 IEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(=O)OC)CC2)CC1 1760396709 RFZKXRTULJWPKC-UHFFFAOYSA-N 430.553 2.395 30 10 IEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1760411425 LUHBVTGRRPTTRM-UHFFFAOYSA-N 430.509 2.497 30 10 IEEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760475280 AZRKXGMEMGDNQM-MRXNPFEDSA-N 449.552 2.433 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@@H]1C 1760478229 ABKUZFOKPZCJCO-UZUQRXQVSA-N 438.532 2.020 30 10 IEEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)NC(C)C 1762581967 JHOBNMCZEUVHTG-FQEVSTJZSA-N 430.578 2.245 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1764993756 ZYCHJAFYWRUZRI-NRTINQSCSA-N 443.596 2.270 30 10 IEEE CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1765855952 ANOMGNOMZMGIBD-DRSNIGMVSA-N 428.537 2.362 30 10 IEEE C[C@@H]1Oc2cc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)ccc2N(C)C1=O 1853223222 NXVGAPJXMDOAPG-JTQLQIEISA-N 433.408 2.305 30 10 IEEE Cn1ccnc(N2CCC[C@@H](N(C(=O)CC#N)[C@H]3CCCN(Cc4ccccc4)C3)C2)c1=O 1853487946 NWNCVRWHGAYIPT-FCHUYYIVSA-N 448.571 2.156 30 10 IEEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2=O)cc1 1853743071 GVYUHFDMBMBTMQ-UHFFFAOYSA-N 449.891 2.343 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H](F)CC2CC3(CCC3)C2)C(=O)C1 1853952369 AOIPZMYRGRNJGD-QGZVFWFLSA-N 433.505 2.226 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)cc1 1854428513 AMMSGDZMINMULT-UHFFFAOYSA-N 425.510 2.248 30 10 IEEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2cc(F)ccc2F)C2(CCCCC2)C1=O 1854445498 WGYCCDNIBDIWBH-UHFFFAOYSA-N 425.457 2.082 30 10 IEEE C[C@@H]1C(=O)N(C(=O)C[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854651218 SNMCEWWSLUJOBP-HIFRSBDPSA-N 425.457 2.132 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1856266748 LOSNWDGIQOMHCQ-AWEZNQCLSA-N 431.901 2.415 30 10 IEEE COc1ccc2nc(N3CC(C(=O)N4CCN([C@@H](C)CCC#N)CC4=O)C3)sc2c1 1856407593 IONNQOZYQFKYRR-AWEZNQCLSA-N 427.530 2.104 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nsc3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857074035 ACDJGQWTLVEWIN-DOTOQJQBSA-N 426.542 2.394 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590575 LIXBKDVYTAOVSB-HXUWFJFHSA-N 426.444 2.442 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868781795 AGGMMNFNSSULSA-LMNJBCLMSA-N 446.617 2.396 30 10 IEEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870449551 BZSIQQMVSWZEHK-UHFFFAOYSA-N 435.565 2.458 30 10 IEEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCN(CC)CC1 1870508372 RVJGIOBOZJBJAB-UHFFFAOYSA-N 438.572 2.209 30 10 IEEE C#CCOc1cn(CCCOCCCC)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870559464 CAZRMNHCKSCYCI-UHFFFAOYSA-N 439.560 2.179 30 10 IEEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/N=c1ccc(-n2nc(C)cc2C)n[nH]1 1873793547 PMQXXLDQPWXNQM-FOKLQQMPSA-N 449.471 2.432 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Nc2ncc(Br)cc2C#N)[C@H](S(C)(=O)=O)C1 1877657524 CKPHYPPHIDFPOE-QWHCGFSZSA-N 445.339 2.160 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3cccc(F)c3)CC2)CC1 1890180110 VEVFUHMLNJLSGW-HXUWFJFHSA-N 431.552 2.242 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1890927161 MFILHKJYHOIKMH-CVEARBPZSA-N 444.022 2.358 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NCc1occc1B1OC(C)(C)C(C)(C)O1 2039815886 JAUIRAORSMUINX-NBMRYCAZSA-N 434.342 2.349 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060641578 KXADGJVMPKKEBH-OVYGPGRDSA-N 436.358 2.155 30 10 IEEE CO[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C1CN(C(=O)OC(C)(C)C)C1 2141672830 DVOHGFBOLBOPRO-KRWDZBQOSA-N 447.341 2.201 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2243397459 BOODHRFCOPIVDA-UHFFFAOYSA-N 437.305 2.132 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255612596 SXWHHQLKCFJQJU-CVEARBPZSA-N 431.342 2.475 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(COCc2ccccc2)C1 2255655853 RVSICAZHKYSIDF-UHFFFAOYSA-N 425.338 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2255811955 LHAXUCFCLLLTLH-DLBZAZTESA-N 429.326 2.215 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2255872679 BFKCXMLFZKLOHX-KOMQPUFPSA-N 433.358 2.357 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256624109 JSWORDKLGVCAPL-RPYGNYITSA-N 436.358 2.489 30 10 IEEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256675546 HNYAQNUZMZRTEN-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1NC(=O)OC(C)(C)C 2267138409 VBXWBNRARVISRN-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)n1 2267525768 JFUQLNPQEJHEQZ-MHECFPHRSA-N 436.365 2.207 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2267548691 HOPGNJMKKPPXND-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267878841 BZYKMMKLTZURCS-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268637233 KZOJZBIKYZFLHE-RDTXWAMCSA-N 446.353 2.149 30 10 IEEE COC[C@@H](COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)NC(=O)OC(C)(C)C 2304805242 OVBCUMXOVXOSTE-ZDUSSCGKSA-N 426.294 2.438 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)n1 2315390470 PBDVWTIXGKVLFX-INIZCTEOSA-N 435.374 2.401 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2320125508 HOPNYNZDKFEWTD-UHFFFAOYSA-N 436.333 2.196 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@H]1NC(=O)OC(C)(C)C 2337201792 ZIVDFBYMQLVCIJ-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)n1C 2337281678 UEDRDYATFRHAKF-LJQANCHMSA-N 438.381 2.374 30 10 IEEE COc1[nH]c(=N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2339786366 KLAQZEDZXPNUDB-HLLBOEOZSA-N 445.369 2.479 30 10 IEEE C=CCO[C@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@H](Oc2ccc(OC)cc2)O[C@H](CO)[C@@H]1O 106383601 YOVYVYDNSFUASP-CFKFVRPNSA-N 444.480 2.257 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 301376544 RNNPPTIVELLNGA-UHFFFAOYSA-N 439.324 2.475 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)cc2C1=O 426840359 NDHFAYQJQHIIPZ-NRFANRHFSA-N 431.492 2.432 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cn3ccnc3)CC2)c(F)c1 442985154 WDNGHVOGRVSGLB-UHFFFAOYSA-N 425.489 2.453 30 10 IEEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2C[C@H]2CCCO2)c1 480179416 HECIHXZXZBWAEK-HXUWFJFHSA-N 446.528 2.483 30 10 IEEE COc1ccc(NC(=O)CN2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCCCC1 506040872 FOUOABGIUJKMJE-UHFFFAOYSA-N 434.562 2.434 30 10 IEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 508841694 SUCKXHCNBQGIGJ-HXUWFJFHSA-N 438.576 2.218 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 508845263 AYWJJSNYZZSZON-KKSFZXQISA-N 446.577 2.199 30 10 IEEE N#Cc1ccc(C(F)(F)F)nc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 522408831 WACXVAPGQPWVHK-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cnc3sccc3c2=O)cc1 523357511 SKIDLWKMGZZHIT-INIZCTEOSA-N 439.522 2.260 30 10 IEEE Cc1cnc([C@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 541626073 ROVFQWFZMGOZIY-CQSZACIVSA-N 433.559 2.143 30 10 IEEE COC(=O)c1ccc(Br)cc1CN1CCN(c2c(C#N)c(C)nn2C)CC1 548935904 BIUFPXYCCJKNSN-UHFFFAOYSA-N 432.322 2.472 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 553560801 VPEYQHNNKSXNFC-WBMJQRKESA-N 429.336 2.167 30 10 IEEE CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1n1cccn1 555476699 YUUHGOSORQGGKL-XHSDSOJGSA-N 425.308 2.214 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2nccs2)CC1 561228062 MWTZYWFECMMOLJ-HZPDHXFCSA-N 444.586 2.017 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1[N+](=O)[O-] 571608526 NCOBCQBUWBLGPU-UHFFFAOYSA-N 426.376 2.395 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1 585470946 SHRZLSQCLXTFND-UHFFFAOYSA-N 426.546 2.240 30 10 IEEE O=C(NCc1cccnc1)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673821 VAOZUZWZEQTYPK-BCDVJSPVSA-N 441.447 2.346 30 10 IEEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 608957763 MWCRZRQSNFVUCA-NRFANRHFSA-N 445.527 2.225 30 10 IEEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(CC)c(=O)cc2C1 619838740 QEFZKKFKQRNQFW-UHFFFAOYSA-N 433.516 2.383 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(Cc2cccc3ccccc23)CC1 732464978 BAGMBYVZKZDNBR-FCQUAONHSA-N 433.512 2.193 30 10 IEEE C[C@@H]1NC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)=NN(c2ccccc2)C1=O 733253079 FWFQVRQASGPOAQ-LRDDRELGSA-N 426.274 2.468 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2c(C)cc(C)nc2O)C1=O 735225724 NJAPCFMEENZHEZ-KRWDZBQOSA-N 442.497 2.401 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-n3cc(Br)cn3)nn2)c1 749325413 WRIKJHMHBLJITA-UHFFFAOYSA-N 439.273 2.117 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 749552567 VLWONTYYSFUVKL-VRCPBSEVSA-N 427.501 2.055 30 10 IEEE CCN(C(=O)c1cc(C#N)cn1C)S(=O)(=O)c1ccc(I)cc1 751836438 JIQXCJPCSVVZOC-UHFFFAOYSA-N 443.266 2.352 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)CC2 758524260 ZIXHSBXRISJGQF-AWEZNQCLSA-N 438.431 2.427 30 10 IEEE Cc1ccccc1Cc1nc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 767627197 LYXJEAAMTSJMLR-HNNXBMFYSA-N 440.481 2.251 30 10 IEEE Cc1cccn2c(=O)c(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)cnc12 773257682 ZTYJABSKVCDVFW-MOHJPFBDSA-N 439.497 2.068 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1c(C)nn(C)c1-n1cccn1 778474486 DNXFOELZZDAZTL-INIZCTEOSA-N 436.472 2.415 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCO[C@H]2C1(C)C 782395471 GNQAQBFEILYMKY-XBQGDNKKSA-N 449.548 2.437 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 782534154 CXWUTIMURCXPTN-UYAOXDASSA-N 436.478 2.410 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c2c(nn1C)CCCC2 794434405 NTIPUXNIANIKEF-SFHVURJKSA-N 443.573 2.069 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2C=C[C@@H](NC(=O)OC(C)(C)C)CC2)c1 796982565 MDARYUPXYWNEKV-SJORKVTESA-N 434.514 2.367 30 10 IEEE COC(=O)c1[nH]c(C=NNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 799868077 KAPMDVZOKGYLSY-UHFFFAOYSA-N 426.502 2.228 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3C[C@@H]3CCCO3)CCO2)c1 802691048 XUNMACRZTSPIHU-VQTJNVASSA-N 436.516 2.143 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)c2cc(C#N)ccn2)ccc1C 803848873 YZFJKTPFJBKLMP-HNNXBMFYSA-N 444.513 2.476 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCCS2(=O)=O)cc1 812231788 FICDAJHZFFVNFQ-UHFFFAOYSA-N 436.559 2.313 30 10 IEEE C#C[C@H](NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)c1ccc(F)cc1 812934876 RCFMBBWABGCCJO-IBGZPJMESA-N 432.496 2.317 30 10 IEEE N#Cc1ncccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 813162212 ILJSORQJDXGFQD-OAHLLOKOSA-N 435.889 2.421 30 10 IEEE COc1ccccc1[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1nccn1C 916227292 UQERWPMKNGSOJY-FQEVSTJZSA-N 431.500 2.317 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)C(C)C 925932119 JHCOMFBEOLHDIY-CRAIPNDOSA-N 426.473 2.156 30 10 IEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(NN=C(C)c3ccccc3O)n2)o1 1083954452 BAQDEQGORKRHKV-UHFFFAOYSA-N 444.521 2.433 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cn1 1084025889 OSUREIWAQACLRG-UHFFFAOYSA-N 427.450 2.272 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCc3cccc(Cl)c3)n2N)cn1 1084280158 MZDRXQPUJSGVAN-UHFFFAOYSA-N 447.956 2.277 30 10 IEEE COCc1nn(C)cc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1125306323 XFNNXKSDYHSIGJ-FCDQGJHFSA-N 433.534 2.412 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 1136884696 PLZGDZGKHMRVHD-OALUTQOASA-N 429.565 2.015 30 10 IEEE CC(C)[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1143651568 AHEIYECEHVGJHM-INIZCTEOSA-N 437.562 2.235 30 10 IEEE Cc1[nH]nc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1C#N 1147690472 ACXNXIQPVVAMRN-IBGZPJMESA-N 439.472 2.483 30 10 IEEE O=C(NCC#CCO)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1155733406 QSSPMGJZKBDXPO-UHFFFAOYSA-N 429.317 2.037 30 10 IEEE C#CCN1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 1155872912 GXVYNRURTMXCBB-QGZVFWFLSA-N 437.327 2.412 30 10 IEEE C#C[C@@H]1COCCN1C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 1161394039 UNLUNFLWZXGFQR-YESZJQIVSA-N 426.542 2.196 30 10 IEEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1167214994 PCJROFANMNGLAE-VWLOTQADSA-N 435.524 2.483 30 10 IEEE C#CCN1CCC(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1178207677 KDBNOJQYQRWEHP-UHFFFAOYSA-N 431.602 2.398 30 10 IEEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1197441076 QYXHGYNAFZVARB-JOCHJYFZSA-N 432.524 2.444 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1206202477 DXRLDYACUWJQQF-MAZHCROVSA-N 445.335 2.290 30 10 IEEE COC(=O)c1cnc([C@@H]2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)s1 1225936662 FRQSTTIMIAVJAT-MGPQQGTHSA-N 449.533 2.188 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286393756 RWHKTANBGBHHPW-PMACEKPBSA-N 430.574 2.115 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286394195 NUJRVGSRXYVHNL-NHCUHLMSSA-N 442.585 2.268 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1286394458 ORGATOVDPGAXTO-YLJYHZDGSA-N 430.574 2.205 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C 1286461339 RBBLNKVWBVPSKY-GOSISDBHSA-N 439.564 2.132 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccccc2)CC1 1286482482 SJPYMOUHWSVOOE-UHFFFAOYSA-N 429.572 2.151 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(F)(F)C1 1286504835 QJRPTTIHMJAOEH-UHFFFAOYSA-N 430.484 2.404 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)N(C)C 1288614168 AMRFUTHWXDGWAI-UZUQRXQVSA-N 434.548 2.252 30 10 IEEE Cc1cc(CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)no1 1289373290 QPNAJALLGUWDGJ-CZIZESTLSA-N 425.493 2.395 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2ccncn2)CC1 1299300273 DMCKYERGZJAIBX-IBGZPJMESA-N 441.557 2.480 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300416603 HROTZTZCADYAOF-UHFFFAOYSA-N 443.621 2.038 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300417037 PDMDXHCTOHTJCE-SFHVURJKSA-N 427.516 2.054 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1OC 1300464456 FPZYBSRDVVVRBD-BZSNNMDCSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300479978 WKZHCNJGLCITRW-GBESFXJTSA-N 435.638 2.323 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300488784 WIHKUIDKEIHQCK-QGZVFWFLSA-N 433.603 2.356 30 10 IEEE COc1ccncc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300702407 RPMULUFJZJRCGI-LEWJYISDSA-N 430.484 2.213 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC1(C(N)=O)CCOCC1 1300816565 OZMIDMVPBBGLEN-HSZRJFAPSA-N 437.544 2.440 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(N)=O)C1 1300975097 RBOBYMTZHVPQKK-CYBMUJFWSA-N 437.342 2.330 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1301075352 DFAQMJBDCDWOFZ-UHFFFAOYSA-N 434.500 2.266 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301173893 LMYATSUIACKTAZ-UZLBHIALSA-N 441.598 2.019 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1301210949 AGSIHLXFTCWMDN-UHFFFAOYSA-N 433.534 2.112 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 1301555711 DBBMNJRWHYCHDT-MOPGFXCFSA-N 446.573 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)Cc2cnn(-c3ccccc3)n2)nnc1C(C)(C)C 1301593630 RHDQMOROARGMRK-UHFFFAOYSA-N 443.577 2.394 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1301633963 AFWNBTRVCSSDGV-UHFFFAOYSA-N 437.548 2.036 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1302209212 QZTHRBLOGNOPMH-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1302229743 IPEDHKQBZXYHHV-KRWDZBQOSA-N 429.521 2.395 30 10 IEEE C#CCN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656561 YVQTVEMWEUHGRP-RTBURBONSA-N 445.560 2.413 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CC1 1311219099 ZLIRNMNWKRXIMQ-UHFFFAOYSA-N 432.477 2.235 30 10 IEEE CN(CC1CCCC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1314794949 QHMXYAMXOSHEAA-QURGRASLSA-N 435.532 2.417 30 10 IEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)c1ccc(F)cc1 1315212413 CHPKWNOMLZYJAX-UWWQBHOKSA-N 435.525 2.303 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(-n2cncn2)c1 1316272827 MKOKBWORMCFMNP-KPFFTGBYSA-N 436.520 2.369 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC(=O)N2)C1 1316527661 NNRBOOCDPLBDPR-RDTXWAMCSA-N 433.285 2.428 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2N)CC1 1321766126 OJZRWKPWJVKWKV-UHFFFAOYSA-N 431.250 2.169 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358915183 VFEYDLIYFUYMFF-FQEVSTJZSA-N 446.559 2.465 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1358947570 FKYKDVSDCNUDMU-VGSWGCGISA-N 435.569 2.250 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(N(C)C)CCSC1 1358979676 UFRXIVMEYXYCRA-NZQKXSOJSA-N 437.569 2.301 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359028274 MQJHTABBJLWCFE-FQEVSTJZSA-N 443.640 2.072 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1359137266 KUGQKCSVGIQRHE-IAGOWNOFSA-N 426.583 2.024 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(C)C 1359264842 RHBWTFTWJAXWOY-OAQYLSRUSA-N 433.560 2.452 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1359305151 UOYONXQWVJIQPZ-OAQYLSRUSA-N 431.924 2.430 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1nccn1C 1434914295 VKZHFVZXALMWQU-SFTDATJTSA-N 446.467 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1CCCN(O)C1=O)Cc1cc(F)c(F)cc1F 1450266678 HYZRMPGCLCJVJR-WBMJQRKESA-N 445.438 2.426 30 10 IEEE N#C[C@]12CN(C(=O)NCc3ccc(COc4ccc(F)cc4)cc3)C[C@H]1CS(=O)(=O)C2 1470628982 TYKAGRJTMVDKAO-PGRDOPGGSA-N 443.500 2.484 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cncc1-c1ccccc1 1470713310 OLYYHYRCOSIELT-UHFFFAOYSA-N 437.525 2.185 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1507645444 AOOKULVNAKEOLY-UHFFFAOYSA-N 442.541 2.002 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCSC1 1507713433 JSFVIZJJYKOLGW-MRXNPFEDSA-N 433.603 2.499 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1507804525 KFUIJSDDZREFII-ZNMIVQPWSA-N 433.525 2.105 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507805615 KCLIBXQWQMCRDS-YLJYHZDGSA-N 437.610 2.072 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(C(C)C)C2)CC1 1507896143 HNFRPMYJYWLVPC-HKUYNNGSSA-N 438.642 2.411 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)OC(C)(C)O2 1510147185 ACJUBYMBGTUSDM-KBPBESRZSA-N 448.549 2.182 30 10 IEEE Cn1cc(CNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)c(-c2ccc(C#N)cc2)n1 1515247694 PXQRTYUQPITMFE-DEOSSOPVSA-N 448.527 2.466 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 1531729561 HHGIZRPSGSKYAT-UHFFFAOYSA-N 428.514 2.383 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nncn3CC2)c1 1534269161 XNJVMVIWFYQKNH-WLTRUERESA-N 444.561 2.462 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1540134331 VCSWVRQPAPLAAU-IBGZPJMESA-N 445.589 2.241 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 1540913794 TYGKGLFEXCUEJO-UHFFFAOYSA-N 429.594 2.203 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc3nc(CO)[nH]c23)c1 1543096579 KWAXVPREMUVEDS-HKOYGPOVSA-N 427.486 2.120 30 10 IEEE COc1nsc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 1545290088 WMKOIAHVLKRRET-VIFPVBQESA-N 431.312 2.499 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1548280215 HCWUFCHQDQRRHH-OAQYLSRUSA-N 437.592 2.317 30 10 IEEE COC(=O)Nc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1554568470 RGPBMUNENRSZNR-SJLPKXTDSA-N 426.477 2.127 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)C1 1555986701 RUYUCDWOLQTXGH-UTKZUKDTSA-N 430.459 2.070 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@H](CNC(=O)OC(C)(C)C)C3)n[nH]2)c1C 1556240824 GBJSQFAUTRQFHC-MRXNPFEDSA-N 444.536 2.442 30 10 IEEE C#C[C@@H](CO)NC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 1556794987 QXQYHMPFFFTRSZ-HNNXBMFYSA-N 447.285 2.199 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN2CCCC[C@H]12 1557288467 DCIPYAOCHFITQK-RTBURBONSA-N 432.590 2.419 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCN(C)CC2)CC1 1557878824 ZJQXNJKCZVSTBF-LJQANCHMSA-N 446.617 2.474 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1558256556 SSOVHLSHUJAFMJ-ZHRRBRCNSA-N 439.553 2.435 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1 1564798488 MMJIDZWQVHZDRE-UHFFFAOYSA-N 426.561 2.317 30 10 IEEE CN(C)C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)c(Cl)c1 1565183281 AFZQUNDEZMPBEF-OWQGQXMQSA-N 445.372 2.176 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1568787660 MDHZGDJRERBIEW-AABGKKOBSA-N 446.569 2.319 30 10 IEEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)c1cc[nH]n1 1583854033 MJCSYMIGWQXQIM-AWEZNQCLSA-N 443.287 2.192 30 10 IEEE C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1585280457 ZDQGLPAXMHCHNM-IRLDBZIGSA-N 449.617 2.091 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1587712297 RNRVIUHRYBMBAL-OAHLLOKOSA-N 446.353 2.063 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1587766522 WIMKBMGKAXXLCQ-IBGZPJMESA-N 429.546 2.109 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588045079 GRIGANMREMGUSA-GOSISDBHSA-N 427.505 2.098 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588229068 QMCCHALXDPOSPL-UXHICEINSA-N 437.519 2.118 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCSCC(C)C)CC1 1588924325 ZOHMTBCEHIGPIB-UHFFFAOYSA-N 441.605 2.480 30 10 IEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1589126039 VNPKPCNDDLVOEL-OAHLLOKOSA-N 431.587 2.257 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1593763448 KRURKVDQOMJUPD-KNQAVFIVSA-N 430.553 2.117 30 10 IEEE CC(C)c1cc([C@@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 1594671038 OUJPBVLTUXBPBJ-DOTOQJQBSA-N 429.546 2.478 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC(=O)NC(C)C 1595134131 SNZCQPBEQQXTCC-UHFFFAOYSA-N 428.512 2.257 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1595219201 RXAYAFBZBWGUNI-CQSZACIVSA-N 437.488 2.132 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1595497346 YMYRHQIFTGFTNL-UHFFFAOYSA-N 447.543 2.280 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1cnccn1 1595658943 OALAUJFXGYGVJC-LJQANCHMSA-N 433.516 2.311 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](NC(=O)OC)C1 1616210957 DGGJWBGOZKLVLL-LBPRGKRZSA-N 426.267 2.055 30 10 IEEE CN(C)CCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](F)(C#N)C1 1617698731 SANFTNTUJSIGRK-JOCHJYFZSA-N 438.511 2.355 30 10 IEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCCCN2CCC[C@H]2CO)cn1 1618384955 WYHGCZDVKZCGAG-FQEVSTJZSA-N 426.569 2.046 30 10 IEEE C=CCn1c(SCC(=O)NCC(=O)Nc2ccn(C)n2)nnc1-c1ccc(Cl)cc1 1618440073 VGRIZVYCHQGDBA-UHFFFAOYSA-N 445.936 2.365 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCOCC(F)F)CCN1C1CC1 1620355870 OHEJFDNGUFDMSR-SFHVURJKSA-N 434.466 2.466 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Cc3ccccc3)C2)CC1 1620658926 BWSQVEMVHBDJSQ-GMKZXUHWSA-N 436.531 2.070 30 10 IEEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)n[nH]1 1620676064 LMCDAXJKJKJWPP-MJGOQNOKSA-N 433.516 2.393 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1622115621 IEAPHUVKKRXEEE-FCHUYYIVSA-N 442.537 2.488 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)cc1B1OC(C)(C)C(C)(C)O1 1623715657 CEVPKWHWCAAJEQ-GOSISDBHSA-N 439.365 2.079 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)CC1 1630039547 YFOUWGILDHSHRZ-AEFFLSMTSA-N 434.558 2.153 30 10 IEEE COc1ccc(CNC(=O)/C=C\C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 1631610492 LZQNCSWYJRYATO-HJWRWDBZSA-N 434.496 2.339 30 10 IEEE O=C(NCCc1ccc(OCC(F)(F)F)nc1)NC[C@@H](O)C(F)(F)C(F)(F)F 1634532215 LPQVYHTZSSJXDM-SECBINFHSA-N 425.276 2.423 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)c1 1635289541 YWMRIWCIHRVXNU-UHFFFAOYSA-N 438.465 2.103 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCCC(=O)OCc1ccccc1 1638359090 XMQMNUFUDFMZNL-UHFFFAOYSA-N 443.525 2.145 30 10 IEEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 1640606567 GABGCVPHKGAHRK-QHCPKHFHSA-N 433.556 2.129 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)s1 1642717936 QAYXRUPCCGIZME-GOSISDBHSA-N 433.599 2.454 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(C)c1OCc1cccnc1 1646440148 XPXLKUATVATKKW-UGKGYDQZSA-N 425.510 2.288 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2ccc(Cn3cncn3)cc2)c(=O)c1C#N 1648749937 GONSXPAIOUETPY-UHFFFAOYSA-N 427.262 2.123 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CSCC(=O)Nc1cccc(Br)c1 1649011324 HHUVGDWWDYERPB-UHFFFAOYSA-N 428.308 2.036 30 10 IEEE C=CCCC[C@@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1652017021 JFMPAVFGWLBMER-HOLBHBGLSA-N 430.567 2.149 30 10 IEEE N#C[C@]12CN([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1656343558 NNZZRVBISTVQFB-JENIJYKNSA-N 441.475 2.067 30 10 IEEE C#CC[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1666954714 ZOSIFMDMHVFOIU-KRWDZBQOSA-N 436.578 2.477 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)cc3cccnc23)CC1 1672281224 YSHWRRAAVJWEBK-UHFFFAOYSA-N 429.546 2.149 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCc4ncc(Br)n4C3)C2)nc1 1685777596 FBGUGIKRYJUORX-ZIAGYGMSSA-N 431.294 2.090 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1689873185 ADDIYIQMPNUYSJ-UHFFFAOYSA-N 435.594 2.158 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OC(C)C 1690092272 BXZGNYCLWSVWSL-UHFFFAOYSA-N 425.533 2.436 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)CCCO2)CC1 1690113189 CFAHTGOLXULHMT-LJQANCHMSA-N 433.354 2.360 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nccnc2C)CC1 1690133470 IGEVZVTZNOSZOV-UHFFFAOYSA-N 431.544 2.262 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690311772 TZFDJMRQISWHTG-UXHICEINSA-N 429.569 2.500 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1690581082 KMIJBTLDIAPKBP-HSALFYBXSA-N 444.580 2.121 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1690720367 GVEOTGQJPRXWBI-UHFFFAOYSA-N 433.553 2.360 30 10 IEEE CC1(C)COCCN1CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1692869907 HGNGEDVWLKUUOU-SFHVURJKSA-N 430.940 2.438 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1695535009 JVDAUUWRMFBDDV-IBGZPJMESA-N 427.530 2.177 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1696693013 PBCHWCPATSOLDL-OAHLLOKOSA-N 429.477 2.469 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1705502940 LDWAISRMGPDXEY-CYBMUJFWSA-N 441.351 2.122 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705563415 WYZBRDTZTMLILN-IBGZPJMESA-N 447.992 2.321 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705564369 NKLHYHPXHZNHQY-LJQANCHMSA-N 425.489 2.154 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)C1CC1 1705595483 UXJRMOLIQLDYLH-LJQANCHMSA-N 440.573 2.126 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCS(=O)(=O)c1ccccc1 1705668606 PUDYKVNXMQQVHE-PGRDOPGGSA-N 446.573 2.468 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705741095 GAZOHSVIAHAEML-LJQANCHMSA-N 439.516 2.455 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705804168 RKASYQBGOGYYBB-SFHVURJKSA-N 425.581 2.429 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1705861393 DRKCJYKNRVJGSK-RTBURBONSA-N 443.573 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCS(=O)(=O)c2ccccc2)C1 1705925091 LCTLROGPFSDHHQ-RBUKOAKNSA-N 446.573 2.427 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCN(CC)CC2)C1 1705925836 UZRKWIPUOPHFMQ-SFTDATJTSA-N 432.613 2.329 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705930706 UHCYSCFJBUPLAJ-UHFFFAOYSA-N 432.472 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)OC1CCCC1 1705936962 DCKIEDPBLZYKAP-UHFFFAOYSA-N 444.561 2.428 30 10 IEEE CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2C#N)CC1 1710986957 BBKUDDGUFVHBCB-UHFFFAOYSA-N 435.557 2.217 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1nccs1 1722459454 KLEPQKMQBXGQOT-CABCVRRESA-N 439.632 2.243 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)F 1722497761 BBXOCTLGPRZEGY-OAQYLSRUSA-N 433.459 2.239 30 10 IEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1)c1ccccc1 1722541022 ITIPWUNYFIYSBT-WOJBJXKFSA-N 446.573 2.135 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1)C1CC1 1722650583 FVJOAUCPACIINM-AWEZNQCLSA-N 439.488 2.380 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1722865468 HNCQVNVLBKTWFR-INIZCTEOSA-N 441.561 2.417 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1723777959 CHGPGBUFDJYLRE-AYBZRNKSSA-N 448.568 2.361 30 10 IEEE CCN1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1728583829 HVXSNCLXJAYKKP-OALUTQOASA-N 425.493 2.456 30 10 IEEE COc1cccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1730234684 WSYZRLGYAMCWNG-ZZEZOPTASA-N 440.529 2.033 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](F)COC 1740561264 ZRKQFWGUHOHYEH-PMACEKPBSA-N 428.556 2.085 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nccs1 1740602282 IZNXFJKJLNBFJQ-UHFFFAOYSA-N 444.586 2.354 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622637 FKDCUHUDNHWABO-FQEVSTJZSA-N 433.622 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740701988 GRYDLXKTZHAPRO-TZIWHRDSSA-N 444.624 2.114 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1740707363 ZILUVFNYCDKIFO-DYESRHJHSA-N 439.535 2.399 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCOCC2(CC2)C1 1740721716 RGOUPUZIEUDBCD-UHFFFAOYSA-N 431.587 2.253 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740749955 IRUHBSIDEMADES-WTGUMLROSA-N 430.597 2.414 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1740761697 YIVAODGYSBHFJP-YLJYHZDGSA-N 436.553 2.470 30 10 IEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)n1 1741980916 FTMFHYWPTVVQJK-WBVHZDCISA-N 440.483 2.047 30 10 IEEE CC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1742009046 BDISZWLHWKSABR-UHFFFAOYSA-N 438.532 2.390 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@H](C)C1 1748685384 YXLOCCATDSOTQH-QZTJIDSGSA-N 444.605 2.228 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F 1749039599 XFAABDSETLRQER-KRWDZBQOSA-N 436.578 2.365 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCOCC1 1749077633 AFTCDAGNKCFMEI-JOCHJYFZSA-N 426.517 2.399 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749352204 GXMLCWHMUNQCTB-INIZCTEOSA-N 425.599 2.376 30 10 IEEE CSCC[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750304938 VIXPHXXUKJHAMO-SKOAFDGASA-N 448.593 2.276 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC4(CC4)C3)n2CCSCCCO)cc1 1750384457 AUBQBFIRXHQVIZ-UHFFFAOYSA-N 443.573 2.461 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNS(C)(=O)=O 1751092224 YCDCYCQCPXEIEO-GFCCVEGCSA-N 428.921 2.415 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1760114742 SBLGANZDVWMVES-IAGOWNOFSA-N 435.532 2.020 30 10 IEEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760130582 KAIVTEMUGFCUJU-KRWDZBQOSA-N 447.609 2.148 30 10 IEEE C#CCCCCn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142449 CMVWLBTYYMEGPL-CALCHBBNSA-N 430.553 2.131 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)C(=O)NC 1760177995 UZQFOKFSYSHLDA-UHFFFAOYSA-N 434.338 2.461 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNC(=O)C1CCC1 1760214277 IFZLRSPRXWJOGU-UHFFFAOYSA-N 447.539 2.486 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cnnn2C)CC1 1760264591 UKUODTHQFNIHHG-UHFFFAOYSA-N 448.575 2.087 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760427438 AJGWNMNIWYOCPB-UWJYYQICSA-N 448.593 2.022 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1760695255 DPDZJEVZCLPNIX-RYUDHWBXSA-N 425.502 2.072 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCOCC1 1760735002 UFGJTIBWUSDUSC-UHFFFAOYSA-N 439.564 2.100 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1C[C@H](F)C1 1761234027 APRDQWKEPJIEHL-SAABIXHNSA-N 440.527 2.148 30 10 IEEE CC(C)OCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1761320384 IWDTZSVKXOWPLX-IBGZPJMESA-N 425.537 2.190 30 10 IEEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)cs1 1764637804 HJUGGRFUFQSADP-UHFFFAOYSA-N 445.574 2.021 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1769273925 YGBFLMZPHUWSLW-DLBZAZTESA-N 427.440 2.071 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1771331342 JLAROLKAVVNCDH-DPHDRGAJSA-N 442.907 2.350 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1772566943 PEAKLWTXGUXSQL-IBGZPJMESA-N 425.533 2.310 30 10 IEEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@H]1CSC(C)(C)C(=O)N1 1849847905 QWCKZEAANJUEJN-RTBURBONSA-N 448.585 2.048 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)N(c1ccccc1)c1ncc(C#N)cn1 1851652366 YFTNHXFCQUHWHX-UHFFFAOYSA-N 431.456 2.100 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1852542202 FEYVCFWIAYRHRS-OAHLLOKOSA-N 432.468 2.292 30 10 IEEE Cc1ccc(N(C(=O)[C@H]2CCCN2C)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1852714769 XYFYKRFBIZFAKF-GOSISDBHSA-N 429.546 2.428 30 10 IEEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)c1 1862606331 OVGJNNAAEPVUIZ-ZUOKHONESA-N 425.437 2.426 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 1862626164 WQAWGQWALRGOCO-IBGZPJMESA-N 426.400 2.269 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871543130 ZYLAZWZYRIZEMD-UHFFFAOYSA-N 428.537 2.229 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3SCC(=O)N(C4CC4)[C@H]3c3cccnc3)C2)c1 1889540726 MYJZJWLUUZOOMN-BVYCBKJFSA-N 449.536 2.176 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 1891003669 CMCQYKDPYHYEGZ-UHFFFAOYSA-N 428.431 2.184 30 10 IEEE N#Cc1cccc(NC(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c1 1891164213 WYKQUVPWFRWEAC-UHFFFAOYSA-N 439.483 2.495 30 10 IEEE C#CC[C@H]1COCCN1C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009819400 KRRTWWGABHVXLL-GBXCKJPGSA-N 427.545 2.407 30 10 IEEE CN(CCN(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243390266 RTXOTENHWLLHNU-UHFFFAOYSA-N 425.360 2.381 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2244003123 NKKSEFFJPBKZDP-HOTGVXAUSA-N 427.542 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@H]2C1 2254802526 OKWMUXMOAISSRM-ZACQAIPSSA-N 431.342 2.427 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2255620822 ZTKJEJVGBAPBHX-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255622671 CMEDUVVHRKTMQG-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)ns2)OC1(C)C 2256926755 DTBUYBCJDWJYQZ-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267184983 YVMKRFJJCPQEAO-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267266143 BDBGPBGSESOQKF-CABCVRRESA-N 446.357 2.246 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479229 JDZQFMRIBDKTRD-CABCVRRESA-N 449.332 2.458 30 10 IEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267519605 JEVPHXMCLVPMKO-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2267529393 LEZINBVTLCXAQQ-MHECFPHRSA-N 436.365 2.207 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@@H]21 2267686547 HPBCBGOXJMJIQO-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267880548 UTSQJODAGBXVDI-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268713134 XJXBYQUHAVURPC-SFHVURJKSA-N 448.369 2.220 30 10 IEEE COc1cc(C=C2Oc3cc(OCC(=O)N[C@@H](C)CO)ccc3C2=O)cc(OC)c1OC 2297475961 JBNWJKQQRJXENN-ZDUSSCGKSA-N 443.452 2.204 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)C#Cc1ccc(Br)cc1 2313880737 FVCVBPNZTVJYOW-CQSZACIVSA-N 430.320 2.308 30 10 IEEE NC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329653010 YSLXILNDFJBSJS-UHFFFAOYSA-N 432.487 2.198 30 10 IEEE NC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329725976 PXEJYIHWYAXUJS-UHFFFAOYSA-N 430.421 2.081 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]1C2 2338374690 KDWVNPLETMSBNZ-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 62896867 KAUMVRZTJDUVGG-UHFFFAOYSA-N 445.497 2.444 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 62897890 YVEMVDZUOHNFQY-UHFFFAOYSA-N 435.458 2.037 30 10 IEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccccn1 72461209 QQDVRSDTDFERHX-KBXCAEBGSA-N 444.451 2.162 30 10 IEEE COc1cc(Br)cc(C=NNc2ncc(F)c(N3CCOCC3)n2)c1O 254738664 GJQXIZDYQWOCKF-UHFFFAOYSA-N 426.246 2.375 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)s1 435431663 JUVSRZRQHQSKMD-UHFFFAOYSA-N 425.919 2.185 30 10 IEEE Cc1c(NC(=O)C(=O)NCC2CCC(C#N)CC2)cccc1S(=O)(=O)NC(C)(C)C 443331195 OGAWAAVGILPLEA-UHFFFAOYSA-N 434.562 2.457 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](C)N(CC)CC)nnc12 473543214 SRWIDVMTVCRVTE-OAHLLOKOSA-N 428.562 2.169 30 10 IEEE CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cs1 482458454 VGMKKKLGAQCJBG-ZIAGYGMSSA-N 436.559 2.438 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 483479617 SXAMSLNLPGUCOM-OAHLLOKOSA-N 437.518 2.196 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCCCOC(C)C)CC3)cc2C1=O 486847385 VSQLJODOVSIVRK-UHFFFAOYSA-N 441.528 2.252 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CC(C)C 516829437 KDZGOSWXEFPHRW-UHFFFAOYSA-N 439.581 2.384 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 522277233 PUEFBHRJASAQGW-UHFFFAOYSA-N 428.554 2.300 30 10 IEEE COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 554756992 GBAUUFNWWXALGE-UHFFFAOYSA-N 426.242 2.466 30 10 IEEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)n1 563276134 ZCWJWCKUCMTFKF-HNNXBMFYSA-N 428.493 2.075 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccncc2OC)CC1 565964812 OWZZUHQUBQVVGU-UHFFFAOYSA-N 434.504 2.232 30 10 IEEE O=C1CCCCN1CC1CCN(CC#CCN2CCC(CN3CCCCC3=O)CC2)CC1 574829199 HHULMJWDFOWKLF-UHFFFAOYSA-N 442.648 2.439 30 10 IEEE COc1cc(CNS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)ccc1C#N 589295029 OKCBBUNADSAWLE-UHFFFAOYSA-N 437.543 2.342 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C#N 604002029 JGCBUEFKUJIGRG-UHFFFAOYSA-N 428.517 2.108 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 604327280 FBHOXXSLXMGRPT-GOSISDBHSA-N 439.541 2.367 30 10 IEEE CCn1nc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)c2ccccc21 609820083 DIJCZMHUOZITOP-UHFFFAOYSA-N 444.451 2.498 30 10 IEEE CCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729670898 PLLKSKPSRPQDFV-QFBILLFUSA-N 449.580 2.165 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 742720695 LTHZZMJWGVULPL-PHSGOXPASA-N 432.590 2.415 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)c2ccc(C(=O)OC)cc2)C1=O 747847382 CKXSKJVGAVJDJH-IBGZPJMESA-N 425.507 2.338 30 10 IEEE N#CC1CCC(COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 755964646 RJVSSEFHSFEXMX-VMBOVVBDSA-N 432.498 2.497 30 10 IEEE C#CCN(C)CCNC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757301201 SWNAJLZRQQKANR-QFIPXVFZSA-N 449.507 2.050 30 10 IEEE CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 757719876 FPCQBBFPNBFKTF-HIFRSBDPSA-N 434.497 2.062 30 10 IEEE CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 758169252 HHJGTGWAJDXWIX-LJQANCHMSA-N 438.594 2.210 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766434514 RJFVIDGDZLJNLY-QUCCMNQESA-N 448.527 2.434 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(I)cc(C(=O)OC)c1)[C@H]1CCCO1 775689157 DRJHIMRVWNIEAX-ZIAGYGMSSA-N 428.226 2.380 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 782919984 YNKHEMJQRLPVMJ-UHFFFAOYSA-N 433.533 2.367 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)n1 789093395 VUOQDTNCJVLRBA-NRFANRHFSA-N 426.517 2.351 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 789253012 TWNAQXDBERXHPQ-MSOLQXFVSA-N 433.553 2.462 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cccc3c2OCCO3)n1 789969008 SQNDBXXCTBAFMX-OAHLLOKOSA-N 426.502 2.078 30 10 IEEE COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802417589 UIXKNXWANDJZLR-HXUWFJFHSA-N 447.499 2.030 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 802474998 XKNURDXDTUWKAS-GOSISDBHSA-N 426.521 2.116 30 10 IEEE N#CCCCCn1c(-c2cnccn2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191528 CBGDICAQXILZJH-UHFFFAOYSA-N 428.543 2.449 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)c1ccc(C(F)(F)F)nc1Cl 811132162 GWUWGZMFFNRCJO-JQIJEIRASA-N 431.754 2.396 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCCC[C@H]1OC 815926419 OIRDOVVGJJTXFI-FUHWJXTLSA-N 427.457 2.115 30 10 IEEE CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)ccn1 856638259 XKQYEBBZOKWKFF-QFIPXVFZSA-N 445.527 2.466 30 10 IEEE O=C([C@H]1CCN(CC(F)(F)F)C1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1131212569 RMJINPGEUNCBFH-GUBZILKMSA-N 443.310 2.471 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3nn(C)cc3Br)ccc2c1=O 1158614131 FNDXBWYMFLBRMO-UHFFFAOYSA-N 434.319 2.297 30 10 IEEE N#CC1(C[C@@H](O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)CCOCC1 1175078761 FCDYKWMOYFRJNA-GOSISDBHSA-N 425.451 2.421 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@](C)(COC)C3)nnc12 1183508002 JGKPUOQXJVPKEQ-OAQYLSRUSA-N 427.530 2.207 30 10 IEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)cc1 1216704608 ASSZHIUUXNGCCM-ORAYPTAESA-N 439.501 2.009 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccccc2)CC1 1286342071 LPNQYSNEYJBWEL-KRWDZBQOSA-N 443.573 2.401 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cccc(F)c2)n1 1286471334 LEEBKAZDEHONHH-IBGZPJMESA-N 438.507 2.452 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nnc(CC)s2)CC1 1286485156 WNYUSALTCKQGAI-UHFFFAOYSA-N 437.573 2.383 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCC=C)CC1 1286488590 OWJZEQFRAPVHJD-NRFANRHFSA-N 448.571 2.088 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286503849 JYFJULXGWBZHGD-ICSRJNTNSA-N 428.606 2.197 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1286568509 SUUXSERWFJDNKG-MRXNPFEDSA-N 448.593 2.041 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1286709733 CROBRPRJFAROIX-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1286713017 RSAXMMQERIDWEF-UHFFFAOYSA-N 437.548 2.168 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1 1286718514 MAPMSKHUYLCFJN-WMZOPIPTSA-N 433.578 2.369 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1286785363 JWYJWUDUIKXALP-HXUWFJFHSA-N 440.548 2.197 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286792156 OHFIBLIFGLVUCZ-MSOLQXFVSA-N 441.532 2.031 30 10 IEEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1287136000 FMKFIJPIRNFRDI-UHFFFAOYSA-N 449.515 2.286 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCOC1 1288283658 FEJKBFRZLIILHH-XXBNENTESA-N 438.532 2.105 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1292766958 IDRWGDXWHGYPPC-UHFFFAOYSA-N 433.564 2.340 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCOC1 1296525142 ALWFOTYRGIQEHO-WHSLLNHNSA-N 436.557 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1300308150 MXIIIYNEXCVVKV-FHWLQOOXSA-N 445.589 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1300309087 SBVGENILCHLVGD-HOTGVXAUSA-N 426.546 2.147 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1300380677 FOIGNWICUVVCNS-AZUAARDMSA-N 444.605 2.012 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](OC)C1CC1 1300603231 PDMCKWFHECBOPD-QGZVFWFLSA-N 430.578 2.431 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccccc1C 1300647825 ASBKXWNZMOQBHP-IBGZPJMESA-N 425.533 2.376 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301241530 RWNMMUSWWCXJPV-NRFANRHFSA-N 428.493 2.408 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1301411595 ZXZAFYDOYIIHIF-QGZVFWFLSA-N 434.562 2.313 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1303436969 SXAFVZAEJZQLTF-GOSISDBHSA-N 438.532 2.321 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1303641388 BAJVUWGHQLFSIS-LPHOPBHVSA-N 442.545 2.434 30 10 IEEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1305783064 SHTIDMOPKNLNCH-QLPKVWCKSA-N 437.493 2.060 30 10 IEEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc1-c1ccncc1 1307262817 VFDYJAYCQMYCJE-UHFFFAOYSA-N 442.467 2.097 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n(-c2cccc(F)c2)c1C 1308058949 XZUMLXCIPXODAW-IRXDYDNUSA-N 444.532 2.410 30 10 IEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 1314653741 HEVRZCVTTMPXAC-JXFKEZNVSA-N 431.541 2.207 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1315872203 FRMMAMHRLWEKCS-UHFFFAOYSA-N 449.515 2.352 30 10 IEEE C=CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1354486710 BKHPEJZSANJZQK-UHFFFAOYSA-N 441.937 2.106 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)CC2)nc1 1357209009 AJFLPPJCKFXUEB-QGZVFWFLSA-N 441.285 2.146 30 10 IEEE C#CCCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358917706 YYVUPMFJJZNSIY-QPPBQGQZSA-N 445.608 2.281 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358955211 HHWWPEHIZFNBCU-HSALFYBXSA-N 435.638 2.396 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1358979271 HYMMZZJPYMWKIX-RTBURBONSA-N 443.548 2.086 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCCn3cc(C)nc32)n1 1359028176 JPXWNKXIABOBCD-LJQANCHMSA-N 436.564 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(OC)CCCCC2)CC1 1359044420 FTDWCZXSVAVESG-LJQANCHMSA-N 429.565 2.097 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1359071090 CUOUOWFEYKOKEQ-HXUWFJFHSA-N 435.981 2.454 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1359228897 SAUAWCJUDISLRF-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1359229762 UDRRKHSFAMFYFV-SJORKVTESA-N 448.568 2.254 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2)CC1 1359302548 LBAWFJQGXXWEEE-UHFFFAOYSA-N 431.544 2.283 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1359305518 FKYYLUAJXQGYQC-HXUWFJFHSA-N 436.560 2.155 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Cl)=C(Cl)C1 1359330991 JMBVIOLWPAUJID-UHFFFAOYSA-N 429.333 2.235 30 10 IEEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359585603 HSWRHOSTJUZDIC-PKOBYXMFSA-N 438.532 2.259 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOCC(F)F 1359718149 UGECXFKMDULKFC-OAHLLOKOSA-N 434.495 2.450 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1360474007 FACYPWCQBDSXJF-KRWDZBQOSA-N 448.531 2.151 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cccc(F)c1 1360684232 MDAVTSLPZIOMTI-LIRRHRJNSA-N 438.504 2.102 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1361162121 ILWCEDAULGXFPH-RBUKOAKNSA-N 427.505 2.008 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1435103189 NOEWBWFFMKNIPU-INIZCTEOSA-N 427.302 2.357 30 10 IEEE Cn1c(=O)c2ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cc2n(C)c1=O 1439513760 ZWCNMHIJAPEGFC-MRXNPFEDSA-N 443.504 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)CCc2ccc(C#N)cc2)C1 1462716690 CHHBVXRNLBUUTA-SFHVURJKSA-N 435.546 2.031 30 10 IEEE CCCCS(=O)(=O)NCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1472182430 RGTXJGVORLKWBG-DTORHVGOSA-N 446.360 2.335 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Br)cc1 1475334909 ZJEVLKJHJIWNPD-INIZCTEOSA-N 433.283 2.328 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1c1ccccc1 1478567072 FGZFTTDBEXUVOS-BHDDXSALSA-N 446.507 2.257 30 10 IEEE CCOCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1503167745 RNDPYWWKJKTDSY-XMSQKQJNSA-N 433.553 2.254 30 10 IEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CN(C)C2=O)cc(OC)c1OC 1504066457 NMTYKRZTSQWSPC-PEBXRYMYSA-N 442.520 2.188 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1507514767 TVMFTLDVVLWIJM-GOSISDBHSA-N 437.548 2.028 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)CC)c1 1507551446 XQFMFROUQRSERY-UHFFFAOYSA-N 443.573 2.427 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507621988 DPVZXIWJCSVHIM-MOPGFXCFSA-N 449.621 2.211 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1507641401 DQHVVFUKZJCWNH-LOSJGSFVSA-N 434.540 2.226 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507937025 NWZACJHFECHWJZ-UHFFFAOYSA-N 428.585 2.055 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCNC(=O)c1cc[nH]n1 1508005294 PUYGDNLEMZAOAG-UHFFFAOYSA-N 447.478 2.220 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnn(C)c1C 1508074223 RCBQHDCZYGMZKT-UHFFFAOYSA-N 447.341 2.016 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1508081300 WTBVZCOGIVHBJC-LJQANCHMSA-N 433.516 2.080 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCOC2)C1 1508126615 IGNQBTXVYVHXEJ-WMZHIEFXSA-N 428.533 2.352 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 1508136679 VMJLRIWWHSTYRK-HXUWFJFHSA-N 449.508 2.005 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2ccc(C#N)o2)CCOC1 1516230171 QXQDFNLUBCJCDY-MAUKXSAKSA-N 441.410 2.211 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(=O)(=O)Cc1ccccc1 1516523842 CRGYEWDGFUCMLC-FQEVSTJZSA-N 435.525 2.262 30 10 IEEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1517016903 WJTTWDKXRUEKIU-NRFANRHFSA-N 435.532 2.301 30 10 IEEE COc1cccc([C@@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1518346958 BWFAFCQLZWDLGH-PZJWPPBQSA-N 433.516 2.380 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC(C)C)CC1 1518645238 MXOBZWLYWGEXHG-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)n1 1518992656 BXMMWGMNYPVFKP-GOSISDBHSA-N 435.488 2.370 30 10 IEEE C[C@H](C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)n1cnc(C#N)n1 1535180213 RALDBMHSZHGUPP-MRXNPFEDSA-N 427.940 2.177 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(CN2CCOCC2)CCCCC1 1538963774 TYCRYOKOCZXOGF-IBGZPJMESA-N 430.597 2.157 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1539124437 GKLAZCBQJXGJAK-WOJBJXKFSA-N 428.558 2.042 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1539142191 MRGWVTDMLCTDLB-ZVDOUQERSA-N 439.564 2.311 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN(C)C(=O)OC(C)(C)C 1539193919 MKLOLHMJEWNJTH-UHFFFAOYSA-N 432.550 2.206 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1539230187 CJDZSUUZUFQTRI-JOCHJYFZSA-N 448.571 2.335 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc2ccccc12 1539239268 IZVZZQFBJBAJIR-INIZCTEOSA-N 441.582 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)nc2ccccc12 1539331487 QNKNWQPZKRBEEA-UHFFFAOYSA-N 442.523 2.469 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)CC1 1539447872 XWMOOHZBYWLYMJ-KRWDZBQOSA-N 428.503 2.159 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539520757 WSTYUWAAVYCFGX-UHFFFAOYSA-N 434.654 2.224 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C(C)C 1539616382 QJZHBDFSFBFASM-MLHJIOFPSA-N 425.599 2.494 30 10 IEEE C=C(Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1539770498 MLXBBOFMVALJSJ-AUSIDOKSSA-N 425.533 2.344 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539772193 FNPFYZCSUHXTQN-QGZVFWFLSA-N 435.960 2.359 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540852916 ARDYZQQNBRSSNK-CVEARBPZSA-N 433.475 2.032 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1540873755 ISZVMWZTJDTTGT-UHFFFAOYSA-N 440.523 2.305 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1541800509 BCUUZUKRZNNVNC-IBGZPJMESA-N 444.543 2.427 30 10 IEEE Cc1c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)cnn1C 1542119461 DIMIKXGFQHSVNN-GOSISDBHSA-N 427.896 2.330 30 10 IEEE CO[C@@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C 1554672348 LPSUBBCJIJQNJB-XDNAFOTISA-N 448.568 2.449 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1555560653 QWKIVJDHCBKYDP-OFNKIYASSA-N 441.532 2.254 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3cccc(NC(C)=O)c3C2)ccc1F 1557919607 XKNULLNYASQRNS-UHFFFAOYSA-N 431.489 2.447 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC(C)(C)Cc2ccc(C#N)cc2)[C@@H](C)O)cc1 1558454198 FXJFIJLYEMRECT-OXQOHEQNSA-N 429.542 2.032 30 10 IEEE NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1566687377 ZZFRLWZQHFJJOR-VLHDLNNZSA-N 429.879 2.432 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CCN1Cc1ccccc1 1585916633 JEYDGMZGNMZMBF-SBHAEUEKSA-N 433.430 2.034 30 10 IEEE CC(C)CN1C[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CCN2C1=O 1586649929 HTBGSWIXCNGRPI-OAHLLOKOSA-N 435.322 2.304 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)cc1 1587683146 CHDONYLGUCYRNO-CBQOVEMMSA-N 439.560 2.345 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588029740 LKXBAXCAVZUJBT-UZLBHIALSA-N 443.573 2.425 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588035272 QIOKGDKHASYCCZ-GOSISDBHSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588049576 IPAYQWRRLJSMEF-GOSISDBHSA-N 444.557 2.260 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1588064464 ILUBDDWWQIEJRL-QGZVFWFLSA-N 433.603 2.032 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1CCN(CCN(C)C)CC1 1588241020 JGQZMLSDVXPNQU-UHFFFAOYSA-N 433.604 2.000 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)CCOC 1589185667 GGRGKDXZRZRIOB-HSZRJFAPSA-N 425.533 2.287 30 10 IEEE C#CC1(F)CN(C(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1589646041 BDJQTEQQXFAEDD-KRWDZBQOSA-N 442.516 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1595759121 DCSXGPMAAZSIAS-IYBDPMFKSA-N 425.599 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](OC)C(C)(C)C1 1595777087 IJNMNTGNJWVCAO-SFHVURJKSA-N 448.545 2.136 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)n[nH]2)c1C 1611166144 RPJNIZUSODOOPM-UHFFFAOYSA-N 439.495 2.377 30 10 IEEE C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1611500812 XLGXOCTWRSTVED-AWEZNQCLSA-N 448.487 2.338 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCC(F)(F)C(F)F 1612598585 QOIXZYUGKBVNFM-UHFFFAOYSA-N 427.406 2.097 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC(C)(C)O1 1612910676 HQNNDTSIMOYSBJ-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1620053567 PXRSIPUCYPBTPM-ROUUACIJSA-N 433.459 2.483 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)cn1 1622335621 MSWGPMKNHNUDER-UHFFFAOYSA-N 428.699 2.058 30 10 IEEE CO[C@]1(C(F)(F)F)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1625089031 NEHPUHXMEVQIIK-GOSISDBHSA-N 445.463 2.139 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)c1nccn1C 1628352274 YTAWTEMWVIOGLH-OXQOHEQNSA-N 437.525 2.059 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 1636814554 LJGDPCFVZCJZEK-HUUCEWRRSA-N 435.315 2.098 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1)C1CCOCC1 1637128174 MGVLUPKCCIERLA-CTNGQTDRSA-N 427.545 2.353 30 10 IEEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2)c1 1637748575 GZSJOXRFHQZBMC-FCHUYYIVSA-N 435.528 2.325 30 10 IEEE C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2ccc(Br)cc2C#N)C1=O 1638099047 LANSSVLUZDCWAY-IBGZPJMESA-N 427.258 2.362 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)n[nH]2)c1C 1642058431 DVZQBIUUZOZQPH-INIZCTEOSA-N 446.577 2.010 30 10 IEEE N#Cc1ccc(N2CCC(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)c(F)c1 1642204535 NNVBPEKBJHYVSS-UHFFFAOYSA-N 434.468 2.017 30 10 IEEE N#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(F)(F)F 1645010551 YZGVSGWAAMWMJV-QMMMGPOBSA-N 434.621 2.324 30 10 IEEE CN(C)CCCN(C)CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1645219242 NEDCQAOUSAHGBG-UHFFFAOYSA-N 428.537 2.022 30 10 IEEE CNCCCc1[nH]nc(NC(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)c1C#N 1654182373 VYVDEPYGDFHHDJ-UHFFFAOYSA-N 425.493 2.378 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1655044547 GWIFLFGIAQJDFL-RBBKRZOGSA-N 447.601 2.447 30 10 IEEE C#Cc1cccc(CNC(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)c1 1668242856 JPAMQQYXUNHQDW-UHFFFAOYSA-N 448.567 2.253 30 10 IEEE C=CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1670971667 QOZQWBVSNUAADI-CHWSQXEVSA-N 443.488 2.217 30 10 IEEE CC1(c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)OCCO1 1670996056 HEWWCIVOAYYDEB-UHFFFAOYSA-N 431.489 2.428 30 10 IEEE CC(C)C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)C(=O)N1CCOCC1 1683561507 WBRNOIVCTFVVDN-IBGZPJMESA-N 447.967 2.317 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1689851661 UDNHXXQRVIYMAA-SJLPKXTDSA-N 431.562 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1689860757 GZZPMICMEKSPKH-NSHDSACASA-N 443.861 2.312 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCCOC 1689966692 ZCRLDJMFILYJAB-IBGZPJMESA-N 446.573 2.022 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1689980536 UCMJERONVZJRFV-RBUKOAKNSA-N 449.621 2.211 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689988320 MRZSHSHEEYGOJD-ICSRJNTNSA-N 433.622 2.150 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)C(C)(C)C 1690188390 IPDMJPZVNKFTRG-OAQYLSRUSA-N 437.610 2.402 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690245183 DYXRDRKORKWFNK-YCPHGPKFSA-N 443.470 2.104 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1690319221 GONNDVIZXQQDNB-QHCPKHFHSA-N 444.532 2.454 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCN(C)C1 1690561179 GNWWEJYVHZANAK-VWLOTQADSA-N 443.555 2.395 30 10 IEEE Cc1c(Cl)cccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1692950526 WVVOZSMZUZYQEJ-SCLBCKFNSA-N 440.932 2.340 30 10 IEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)c1=O 1695797283 GPGJNFZIPQPUJP-QGZVFWFLSA-N 434.500 2.184 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1695805187 BYYQTSUVVLRAPK-SMXHQDLGSA-N 429.569 2.021 30 10 IEEE CCO[C@@H]1C[C@H](N(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C12CCCC2 1696451546 IQRJOAOUORWGMN-LFGCOOLASA-N 428.537 2.287 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN1CCCO 1705485850 QMZWRFJDBGQCOD-ROUUACIJSA-N 427.549 2.267 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705493045 BJXFHOLSFZQTNO-JBACZVJFSA-N 436.560 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)nc1OC 1705497868 JHRPRXBYDYSFOZ-INIZCTEOSA-N 431.500 2.435 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1705569462 HMWDEIKJCMRVAV-LJQANCHMSA-N 446.548 2.191 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1nnc2n1CCC2 1705575888 BWUVNQFWKVJRTB-UHFFFAOYSA-N 436.317 2.366 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCSC(F)(F)F 1705576440 LCXZXPFYFXZNEJ-UHFFFAOYSA-N 432.435 2.247 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1705587192 LACXPDLLWGGSFH-SFHVURJKSA-N 442.564 2.195 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCN(CC)CC1 1705609892 VDWUNQUUYOUMGX-IBGZPJMESA-N 438.576 2.202 30 10 IEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1705658729 YVUBOTZFEAOITJ-UHFFFAOYSA-N 431.587 2.284 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705658787 BBEPQYVBQJUVNE-HNNXBMFYSA-N 429.571 2.416 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705668543 OMJAKSQYMVSJHL-LXGFNABISA-N 437.610 2.332 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C 1705884609 SXRBWKQVWZBKQS-PBHICJAKSA-N 437.566 2.228 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1705976328 LLKKQOSKPKWYRJ-LZNRXBQRSA-N 432.569 2.316 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1706013912 RBKIFVMHDMLCNO-ZSHKSDETSA-N 449.559 2.179 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCOC2)C1 1706177549 HWWZXRKIHSVVQD-FJIDUMEYSA-N 446.552 2.204 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1Cc1ncn(C)n1 1712451822 HBJYBXSNVJMUJP-UHFFFAOYSA-N 445.325 2.251 30 10 IEEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCOC(F)F)CCO2)c1 1712878751 KQXXCYGPHYYEFQ-DLBZAZTESA-N 446.458 2.308 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)nc2)c1 1722310695 ZGCYHTIWOYWZCC-HXUWFJFHSA-N 443.511 2.037 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 1722368529 SPPRFTQBNDUBKY-ROUUACIJSA-N 445.564 2.133 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722412081 URBGDUGCWBPKQC-OTWHNJEPSA-N 435.638 2.396 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722619684 HJAMMZSUIUKNOM-UHFFFAOYSA-N 440.596 2.039 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722629388 PZRKRBSUURUFFM-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2c(F)ccc(F)c2C1 1722689738 YGGOKLAJCGETMF-AWEZNQCLSA-N 435.475 2.145 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)C1 1722709041 IOYIIGXXJNCXGI-VQTJNVASSA-N 430.597 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722751239 RMSHQQYWLFEPGY-MJGOQNOKSA-N 445.589 2.227 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)O1 1727312601 LXIXGMXKGVJROU-WMZHIEFXSA-N 438.532 2.403 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)CC)cc1 1728875221 DMNIWZMELQYSAW-VQIMIIECSA-N 442.520 2.024 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC[C@@H]1OC 1729066413 DFSHZXRCBDDCLS-MOPGFXCFSA-N 425.537 2.223 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740623048 NGZWWWPDYIOHMX-UWJYYQICSA-N 432.546 2.063 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1740623094 NZPVUDVRUBLIKZ-MRXNPFEDSA-N 448.618 2.284 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC(C)C 1740666262 IUZBNJHAMIUVTQ-UHFFFAOYSA-N 426.546 2.281 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(OCC)c2)CC1 1740693921 QXLRADBHWGGFBQ-UHFFFAOYSA-N 434.544 2.494 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OC)c2OC)CC1 1740694196 BTYJRIMXHVRIQC-FQEVSTJZSA-N 425.533 2.340 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2([S@](C)=O)CCC2)C1 1740973391 XATASUIJIUIVQC-PMDYLXHRSA-N 438.594 2.013 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1741131259 RWFQWRJZCARRKB-CQSZACIVSA-N 445.524 2.469 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1741725826 VZFDGOLBFNJMFD-VXKWHMMOSA-N 448.637 2.496 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1741992654 CBFWILHTOBKMCL-JKSUJKDBSA-N 446.458 2.190 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1748000514 OAJJYRLULKATHQ-VPTFNQTCSA-N 429.546 2.255 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1ncnn1C(C)(C)C 1748964538 FOJCZEJMDDYTCK-UHFFFAOYSA-N 425.512 2.489 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C[C@H](C)O1 1749547937 PSNLMUYQVSPFQE-FXAWDEMLSA-N 440.548 2.219 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)[C@@H](C)CC)C1 1749713598 VHTLKHOQIQEBHQ-MLHJIOFPSA-N 426.583 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(C)C)C1 1749735821 ARKYJYRSSDZYOR-LJQANCHMSA-N 436.553 2.470 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1750448699 KBAZJWRQOZBYSM-KRWDZBQOSA-N 436.564 2.084 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1750561113 KYRBYQWHWKDMGQ-MSOLQXFVSA-N 438.488 2.093 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760185254 TZMVQZXDMAAVEO-IRXDYDNUSA-N 432.521 2.138 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C2CC2)N(C)C)CC1 1760258976 VKBGOLAEOGQRKX-OAQYLSRUSA-N 438.576 2.058 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CC=CCO2)CC1 1760267387 JZHGZGWAMNIXLH-OAQYLSRUSA-N 435.528 2.265 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([S@@](C)=O)CCC2)CC1 1760269344 FUWHZDPZLCZGHC-SSEXGKCCSA-N 433.622 2.134 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC=C 1760292072 OEDCDUUUROXISH-OAQYLSRUSA-N 428.514 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1760555341 CUWFZGSKICQRIH-UHFFFAOYSA-N 435.516 2.221 30 10 IEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1763699931 DDHBFJHKYGPDBP-GOSISDBHSA-N 447.547 2.126 30 10 IEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccnc2)nnc1N1CCC(C#N)CC1 1766848438 HNXZBZWJBFIVRI-HXUWFJFHSA-N 436.564 2.023 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCC[C@H]1CO 1767141991 FFGFDCSPAPWNKT-QFIPXVFZSA-N 446.559 2.480 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1768437921 HWTWRHFRODOUGY-UHFFFAOYSA-N 449.559 2.276 30 10 IEEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCCCn2ncccc2=O)CC1 1849938858 MGJVFAOSCIMSNO-UHFFFAOYSA-N 434.475 2.225 30 10 IEEE C=CCOC(=O)[C@@H](CC(=O)N1CCN(Cc2ccccc2)S1(=O)=O)c1ccccc1 1851655796 NGMXTAZGTVAQAV-FQEVSTJZSA-N 428.510 2.479 30 10 IEEE C[C@@H]1CC(=NC(=O)COCc2nc(-c3ccncc3)no2)NN1c1ccc(Cl)cn1 1851840328 DIGFTOZZTGUCJR-GFCCVEGCSA-N 427.852 2.425 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1ccccc1 1852817565 DOIGBNHTBAQXAI-RBUKOAKNSA-N 428.558 2.336 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1=O 1854331083 UACKLKGPRVOWAC-JKSUJKDBSA-N 425.407 2.045 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(SC)cc2)C1)[C@H]1CCN(C)C1=O 1857076211 BNIDXQXDVSDGKL-QUCCMNQESA-N 429.586 2.435 30 10 IEEE CC(=O)Nc1ccc(-c2nc([C@@H](C#N)C(=O)CN3CCC(C(N)=O)CC3)sc2C)cc1 1872797876 XNZGFVMMSJCILS-SFHVURJKSA-N 439.541 2.451 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661546 XLHMYZHERRLUTL-UHFFFAOYSA-N 445.527 2.465 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1 1874338498 SFOLRTWVRZBFQO-IMQYADFFSA-N 444.561 2.209 30 10 IEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)C1 1891675071 OKGNLRHZEAGUHZ-INIZCTEOSA-N 441.447 2.167 30 10 IEEE COc1[nH]c(=NC2CN(C(=O)OCc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 1901385591 WHOLYKFLFBPLSI-UHFFFAOYSA-N 439.321 2.244 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](O)C#CC1(S(C)(=O)=O)CC1 1902431030 LMJLURXVYWVHLV-MOPGFXCFSA-N 437.558 2.428 30 10 IEEE C=CCN(CCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C(=O)OC(C)(C)C 1986132064 KACRIQGFOWHNHO-CVEARBPZSA-N 427.542 2.286 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1990680419 MUYAIUVBPKVRJE-CVEARBPZSA-N 439.578 2.290 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCB2OC(C)(C)C(C)(C)O2)[C@@H]2CS(=O)(=O)C[C@H]21 1999363916 IOJJTMMVFPWWRQ-HZPDHXFCSA-N 444.403 2.187 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622753 DHSAMKQIPLHDAY-GJZGRUSLSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)NOCCC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060638540 XYRMUFIRCOASCA-UHFFFAOYSA-N 434.342 2.491 30 10 IEEE CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124524433 RTMLNZFRMCAWKR-GOSISDBHSA-N 446.353 2.488 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124532713 LTUYPCZPIOWXCL-SFHVURJKSA-N 448.369 2.184 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1cncc(C#N)c1 2195258802 FWKOCFGXIBHLTG-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237385724 KEAWRRSCAUIREX-HNNXBMFYSA-N 439.306 2.431 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1[C@@H]2[C@H]1CCCN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247963154 ULAPNAHBWPBTCQ-XHSDSOJGSA-N 442.387 2.491 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2255598308 OAJVXQCQNDYZBQ-KSFYIVLOSA-N 434.342 2.296 30 10 IEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255692726 DDOWHDRDIVPPNZ-QGZVFWFLSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255699026 MVIBVNVWMADFHV-SJORKVTESA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255702922 MWWMTWGYLIZRHN-HNSKJHPRSA-N 437.321 2.439 30 10 IEEE CC1(C)OB(c2csc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c2)OC1(C)C 2255832984 VIUBDUABIDBPDG-STQMWFEESA-N 444.284 2.425 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2256627148 SEBMWNLMHZOVGU-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267184041 RVJTWVIQGLWJKU-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2267187163 UDTVSFQMRBLCPY-HZPDHXFCSA-N 448.325 2.039 30 10 IEEE CC1(C)OB(c2cc(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)co2)OC1(C)C 2267491670 HDASJBNSAIXUBC-UHFFFAOYSA-N 440.349 2.336 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267517688 WYOOTGHZIPFYMZ-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521583 SKDVFGMIAHCTJX-QFIPXVFZSA-N 446.357 2.325 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267579486 UBRIMRVYCIXSAW-YJBOKZPZSA-N 446.353 2.255 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)[C@H]2C1 2267730411 ZIYHUIHOJPCLNF-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267818834 KORUQAHKNLUUDJ-UHFFFAOYSA-N 448.325 2.457 30 10 IEEE COc1ccc(OC)c([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)c1 2296625781 FJDLDDGPYCZDBQ-FQEVSTJZSA-N 442.516 2.037 30 10 IEEE C[C@H](C#CC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)O)C1)NC(=O)OC(C)(C)C 2302381648 YFQBFOBBYOWVIZ-UZUQRXQVSA-N 430.501 2.423 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)[nH]1 2337027345 DJWZVSQBOVJRSL-RYQLBKOJSA-N 447.385 2.187 30 10 IEEE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1nccs1 20806810 LTGCJXJRRCOIKP-ZVBGSRNCSA-N 440.514 2.484 30 10 IEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3SC)n2N)cn1 59830172 MQXMXFWLHJVYON-AWQFTUOYSA-N 443.562 2.273 30 10 IEEE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(CCC#N)C3)cc2)n1 62040736 JGHOCMMDBGSDKL-INIZCTEOSA-N 428.518 2.150 30 10 IEEE CC(C)S(=O)(=O)c1ccc(CC(=O)NCC#Cc2ccc(C(=O)N(C)C)cc2)cc1 96348447 SGLMBVLRABTLBC-UHFFFAOYSA-N 426.538 2.281 30 10 IEEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 409502178 NQEPHMWDTFUUNN-RDJZCZTQSA-N 430.534 2.178 30 10 IEEE N#Cc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 460288790 MPVMZCXOAMJJTR-KRWDZBQOSA-N 431.489 2.293 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 460812121 WONYBOIJMMFOIE-IBGZPJMESA-N 449.552 2.495 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cn1 461747565 RJZOYWUPSUENIG-UHFFFAOYSA-N 430.877 2.099 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)cc2C1=O 464520838 GOYNBHSQZXTFAJ-YFVAEKQCSA-N 429.476 2.355 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccccc1C(=O)c1ccccc1 475798968 JGDKWECPFNQWLC-UHFFFAOYSA-N 427.526 2.154 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c(C#N)c2N)cc1 479684791 BGJXUBWSABBWKI-XMSQKQJNSA-N 438.557 2.137 30 10 IEEE C=CCNS(=O)(=O)c1cc(-c2nc(-c3c4n(c(C)cc3=O)CCC4)no2)ccc1F 485360868 RXNBGXKDOUPGOI-UHFFFAOYSA-N 430.461 2.423 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 508826988 KLYNDWPBYRIFNB-INIZCTEOSA-N 435.887 2.307 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)c1C 521296017 XYGLLHZSIGDARG-UHFFFAOYSA-N 442.544 2.415 30 10 IEEE Cc1[nH]ccc(=NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1Br 525849345 REQKMOLLTFDPGV-HNNXBMFYSA-N 442.273 2.290 30 10 IEEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(Br)cnn2C)c1=O 568353193 DNRPWFOEFABFAX-UHFFFAOYSA-N 449.374 2.078 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 568698431 LHWKMQHGVMXPIX-HKUYNNGSSA-N 432.546 2.170 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCCCO2)CC1 574766482 RCMMIYUNGDLTPE-TZIWHRDSSA-N 438.532 2.133 30 10 IEEE COc1cccc(-c2ccc(=O)n([C@@H]3COC[C@H]3Nc3nc4c(cc3C#N)COCC4)n2)c1 585628728 CDBONDBMQAVJQM-FGZHOGPDSA-N 445.479 2.310 30 10 IEEE COCCOc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1OC 585721425 CZQMWVZJVXIWEP-CQSZACIVSA-N 429.448 2.225 30 10 IEEE N#Cc1cc(Br)ccc1CN1CCN(c2ccccc2S(N)(=O)=O)CC1 588204973 VSPVXLFLHPFNHX-UHFFFAOYSA-N 435.347 2.290 30 10 IEEE Cc1ccc(NC(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1Cl 733888851 HVZSWOJSIOXJST-FMQUCBEESA-N 445.907 2.241 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC)c(C)c3C)cc2C1=O 735406933 HSPPZZLQUKAGKG-UHFFFAOYSA-N 428.466 2.213 30 10 IEEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1ccccc1-c1ccccc1C#N 735776893 WGMXAVLDHPIIGG-LJQANCHMSA-N 427.482 2.227 30 10 IEEE Cc1nc(=NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)n(-c2ccc(C#N)cc2)[nH]1 741945557 DYAZQISJOYIZQV-UHFFFAOYSA-N 431.424 2.047 30 10 IEEE Cc1cc(=O)c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nn1-c1cccc(Cl)c1 744007422 IHYMJWQLBBJTHK-UHFFFAOYSA-N 442.884 2.326 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)cc1 746447412 XZSPYRKSDJRGAT-AWEZNQCLSA-N 426.477 2.247 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@H]3C2)c1 750267481 WSNYSBBGGNCYOR-FHMUSPLKSA-N 432.546 2.087 30 10 IEEE C#CCN(C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 754059674 UFXXRYZPZRUNBD-IRLDBZIGSA-N 446.594 2.137 30 10 IEEE CCc1c(C(=O)OCc2cc(Cl)ccc2OCC#N)cnc2c1c(=O)n(C)c(=O)n2C 754344081 BUIGZKNIIUPETO-UHFFFAOYSA-N 442.859 2.107 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCC1(C)OCCO1 758867302 YLVMZXBFVXNQJM-GOSISDBHSA-N 448.589 2.148 30 10 IEEE CSCC[C@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760404697 HUQRKCSLKUYFKH-AWEZNQCLSA-N 427.548 2.051 30 10 IEEE COC(=O)c1cncc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 769005955 OVAHQUFPBOYPGQ-UHFFFAOYSA-N 430.486 2.106 30 10 IEEE N#C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CCN1C1CC1 770418740 WGIABZBBJNRQIR-GOSISDBHSA-N 448.365 2.167 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 781937432 RFXIEFSWJDKALV-OTZFSBHDSA-N 438.406 2.315 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)Cn2c(S)nc3ccccc3c2=O)CC1 783961004 DVHHRPCXHDNPCU-UHFFFAOYSA-N 435.509 2.458 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CC[C@]3(CNC(=O)C3)C2)c1=S 788384346 XLCIEGXUYJVQOJ-UWJYYQICSA-N 427.530 2.282 30 10 IEEE CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 791051885 ZAHOXUNKBLDSFS-BDIWWCJBSA-N 425.485 2.070 30 10 IEEE COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802417588 UIXKNXWANDJZLR-FQEVSTJZSA-N 447.499 2.030 30 10 IEEE COc1ccccc1NC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807947180 KHWGPNHCOVKQSN-UHFFFAOYSA-N 443.348 2.426 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813745779 LTUIHBRGTOPCCF-AHRSYUTCSA-N 434.562 2.350 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)c3cscc3C#N)CC2)cc1 814614633 AJRQPQVJPQWRRU-OAHLLOKOSA-N 447.538 2.007 30 10 IEEE COCc1nc(Cl)cc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 814978286 YPFFNSYVECPFAI-UHFFFAOYSA-N 434.703 2.132 30 10 IEEE C=CCN/C(S)=C(/C(O)=c1cc2c(cc1F)=NC(=O)CC2)[n+]1ccc2c(c1)CCCC2 917608275 ZDRBCNVAOMYDDV-UHFFFAOYSA-O 438.548 2.282 30 10 IEEE CCOc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)cc1 1083900078 VYFMIDMRPCYWRL-UHFFFAOYSA-N 444.521 2.223 30 10 IEEE N#Cc1cn(CCC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)c(=O)nc1O 1137639772 HXAXTGMLFFIKIN-UHFFFAOYSA-N 438.434 2.459 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)n[nH]2)c1C 1141303214 ISLSNDANHXSTRK-HXUWFJFHSA-N 434.544 2.225 30 10 IEEE C[C@@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1F 1144795358 WXUSQBDWJYVSED-VFNWGFHPSA-N 445.516 2.336 30 10 IEEE N#C[C@@]1(C(=O)NC[C@@H](O)COc2ccc(I)cc2)C[C@H]2CC[C@H]1C2 1150174560 BKMFWQIVWAXLSE-OVAAFMSASA-N 440.281 2.477 30 10 IEEE CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1155487254 RMEZCIXFECOOTL-IIDMSEBBSA-N 448.545 2.209 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1 1170310145 HGAJYSSCRJWABZ-MRXNPFEDSA-N 439.553 2.483 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2nc(O)n(C3CC3)c2c1 1175447769 XETKQKVTHZWCHY-GFCCVEGCSA-N 425.470 2.254 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@H](O)c4cccc(C#N)c4)C3)[C@@H]2C1 1175639346 WWYMTGBJCKLCAR-YRPNKDGESA-N 442.516 2.106 30 10 IEEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1179650567 GQNWOOUTZZNDHP-NWZZKEMCSA-N 439.578 2.056 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1192633961 BJKVIXIMKRZMDV-MCIONIFRSA-N 442.504 2.490 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)n(C2CCCCC2)c1C 1196114589 WLAAFXDYSOHNNK-OAHLLOKOSA-N 435.594 2.386 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1 1214463191 GNGBNMZASMCDQM-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c2ccc(Br)cc2nn1C 1266190577 CKBIIWAUMMNXEK-LBPRGKRZSA-N 440.305 2.348 30 10 IEEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1269096747 ZUUOUYRRDSSHNG-GOSISDBHSA-N 447.495 2.496 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286384104 GZUUREFDUJUHSB-MOPGFXCFSA-N 431.562 2.033 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C1CC1)N(C)C 1286431913 SQLKGQJCCQLQHL-JOCHJYFZSA-N 446.603 2.255 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286464806 FFPZMAXDSFPHJP-ZCNNSNEGSA-N 433.597 2.146 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1286476863 HIKXBFCFJRIEMU-UHFFFAOYSA-N 445.575 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2ccco2)N(CC)CC)CC1 1286491369 OTYJPRRPYVKLCG-LJQANCHMSA-N 426.565 2.482 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1286541921 FXGZLLICRDGETM-MRXNPFEDSA-N 436.358 2.153 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOCC)CC1 1286561791 OZBRTBUQDHUDBF-NHCUHLMSSA-N 426.565 2.480 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1286606497 RNPDLUDWJVWTQK-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286697534 PLCZOUXDBCWDQI-LJQANCHMSA-N 425.581 2.383 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 1286863141 WFAXIRZBKXIFCN-REWPJTCUSA-N 444.580 2.317 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1288160931 WDQZUAHUQGCFND-UHFFFAOYSA-N 425.537 2.384 30 10 IEEE CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1294656181 FUMYOODVRRUUKO-MOPGFXCFSA-N 434.610 2.042 30 10 IEEE CCOc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1296828781 CUNOGFLUROQJIE-OFNKIYASSA-N 441.532 2.494 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C 1297652480 ATRVOFNBKYSGCF-HNNXBMFYSA-N 441.561 2.166 30 10 IEEE Cc1oc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1S(C)(=O)=O 1300415158 XNBAGDVXXQVQCQ-UHFFFAOYSA-N 439.497 2.216 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccco1)N(C)C 1300459403 RWSKECHOIHFPKK-IBGZPJMESA-N 434.548 2.417 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1OC 1300464457 FPZYBSRDVVVRBD-FGTMMUONSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300492034 LBACSKZGCAJFAV-QBUQCISBSA-N 434.525 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@H]1OC 1300578580 MUWOPCOFZKGPPO-BWAGFHJFSA-N 436.512 2.305 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCc1ccccn1 1300761717 DVRKOBUHIACHAM-QGZVFWFLSA-N 433.603 2.011 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1 1301043310 IPELQPKURZRSPR-MRXNPFEDSA-N 435.525 2.463 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1301391910 ZOSVGEPSCUAHSG-UTKZUKDTSA-N 434.562 2.476 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(C)(=O)=O)C1 1301541814 DGFTWCNOQGGBPS-CQSZACIVSA-N 443.932 2.068 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1301553656 QEUPUFKWLLFHIY-ZWKOTPCHSA-N 443.523 2.360 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1CCn1cncn1 1301773700 HYKOXAVCDBPIMV-UHFFFAOYSA-N 443.515 2.465 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1301980340 AZUSATBBNDCWMM-YESZJQIVSA-N 448.568 2.186 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1302459271 DFBIDCSWPQHFTF-YLJYHZDGSA-N 443.573 2.381 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(SC(C)(C)C)c(F)c2)CC1 1310793640 ASHGDRBEYRDVTG-UHFFFAOYSA-N 428.555 2.333 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1316046143 ZWWIOUYFNISYBH-OAQYLSRUSA-N 440.548 2.066 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C1 1316239835 BMVIRLHKGBNFRE-QGZVFWFLSA-N 425.518 2.267 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1)C1CC1 1316345672 PMYIUVQUHOSKBC-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC=CCC2)C1 1316357909 UKJKVECKRLWOLT-MOPGFXCFSA-N 448.593 2.097 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)cc(OC)c1OC 1358413425 BXBLTCWEYDGGHI-GFCCVEGCSA-N 439.877 2.159 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1358889898 IMJWVPQKNMWQKN-IEZWGBDMSA-N 433.553 2.080 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1358908146 NESYDDAAGKHRBX-QGZVFWFLSA-N 438.532 2.322 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C1CC1 1358940084 NQHKFYGVIKMFTR-UHFFFAOYSA-N 429.594 2.100 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1358959208 DTVRMBFPMCSBMQ-PMACEKPBSA-N 441.601 2.365 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccccc2C)CC1 1359043613 AYKZLKXZBXWPHI-UHFFFAOYSA-N 447.543 2.032 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCSC1 1359282149 RSGWIZZTRKQLLQ-NQIIRXRSSA-N 432.546 2.297 30 10 IEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359287009 GFWUQQCFYNEYLR-IRXDYDNUSA-N 445.568 2.135 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359326713 IJIPGJCKWJQYHP-FUHWJXTLSA-N 436.582 2.187 30 10 IEEE COCCOc1ccc(-n2nc(C)c(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)n2)cc1 1438341082 BOMAPOHSQLUYLD-UHFFFAOYSA-N 446.511 2.435 30 10 IEEE N#C[C@@]12CN(C(=O)COc3ccccc3OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1439618838 ZQFUVLSAPKEPNR-AVRDEDQJSA-N 426.494 2.041 30 10 IEEE Cc1ccc(C(N)=O)c(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1452594692 GDUYDAVHIIHRFY-UHFFFAOYSA-N 428.514 2.332 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(Cc4ccno4)CC3)C2)C1 1455129882 KPVXWINJTHKWQX-JQHMZKTJSA-N 429.521 2.106 30 10 IEEE N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1463597350 WNYKRGJINXRKRD-UHFFFAOYSA-N 439.415 2.449 30 10 IEEE Cc1nn(CC(=O)N2CCN(C(=O)CC#N)CC2)c2nc(C(C)C)cc(C(F)(F)F)c12 1465872224 GKNSREDGCBEFHS-UHFFFAOYSA-N 436.438 2.466 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 1469536244 ZWXJFJOZFGGMTJ-ZWKOTPCHSA-N 427.505 2.265 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)c1 1471146102 YXGNCVDTJMJKEM-OAQYLSRUSA-N 438.553 2.358 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[C@H](C(F)F)N1CCOCC1 1492949085 PZPVTSMYIJCVNQ-WOJBJXKFSA-N 446.502 2.392 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCO[C@@H](C)C2)CC1 1502310547 BLHXUEFNVZFCGI-PMACEKPBSA-N 437.592 2.458 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507626997 BWQDTENCUZUJTM-INIZCTEOSA-N 442.570 2.034 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507629425 MGAXRVKYUWVDDF-GOSISDBHSA-N 443.573 2.316 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCn2ccnc2C)CC1 1507741063 KIHJPAKJKDWUFJ-HXUWFJFHSA-N 439.564 2.081 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1508312698 BZKQIGAAESPBEK-FZYZMVIOSA-N 442.589 2.469 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)cc1C 1511005382 CZCLNJPINAOAQS-LJQANCHMSA-N 426.521 2.071 30 10 IEEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)c(OC)c1 1518228742 GDHVRFGCDUOUTG-MRXNPFEDSA-N 426.521 2.399 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@H]1C 1519162414 FXNZCVYJGDZODA-IEBWSBKVSA-N 437.548 2.047 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2=O)cn1 1519454352 BDZNPZPADLAWCL-CYBMUJFWSA-N 437.378 2.291 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(c4ccc(F)cc4C(N)=O)CC3)C2)c(F)c1 1529923317 FBVUYWFMENLQGP-INIZCTEOSA-N 439.466 2.110 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1cn(C2COC2)nn1 1538971979 GJKPPTAZFKGSPB-CYBMUJFWSA-N 442.321 2.377 30 10 IEEE COc1cc2nc(C(=O)NCCSCc3ccccc3C#N)c(=O)n(C)c2cc1OC 1539050419 RZKWLXCKHCTVRF-UHFFFAOYSA-N 438.509 2.486 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1539132329 ILDVQHBCZRACJU-OAQYLSRUSA-N 425.581 2.102 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1539203926 WATPOKMRVKXIIR-RTBURBONSA-N 435.638 2.467 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C(F)(F)F)cs1 1539413011 GSAVQCNHAIAMSY-GFCCVEGCSA-N 442.467 2.033 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1539447724 VJAKVUHKBODWOV-LJQANCHMSA-N 426.540 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCOC2)CC1 1539475273 AEXIHOPEWLRIDK-GOSISDBHSA-N 437.544 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1539645345 MUUXRNMUNLAHAW-ANULTFPQSA-N 447.580 2.042 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1539752757 YSIVVIBZNHUJPD-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1540022031 ZHPXAJYICJTQRM-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCN(c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C)C1CC1 1540113690 BGIRYHKAKNYYQQ-UHFFFAOYSA-N 428.562 2.327 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1540870238 HZINCCPFISTYDO-GOSISDBHSA-N 436.560 2.494 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1cc[nH]n1 1542284101 YTYUFMNVVLBIHL-HNNXBMFYSA-N 430.461 2.280 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(F)n4)CC3)CC2=O)cc1Cl 1543956714 NWVJPWACMRPDRQ-OAHLLOKOSA-N 427.867 2.447 30 10 IEEE C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1544204642 QWXUOZRKGSXTCT-ITZAQCPESA-N 437.460 2.368 30 10 IEEE CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1547457328 WQXWCWNFMIMVNW-XUTLUUPISA-N 440.504 2.335 30 10 IEEE N#Cc1c(F)cccc1N1CCN(c2nnc(C3CCC3)n2CCOCCCO)CC1 1555986675 QKYKJZUQZYNVPR-UHFFFAOYSA-N 428.512 2.282 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)C1 1558330123 YOSCMCNDIMWBSY-HKUYNNGSSA-N 427.574 2.458 30 10 IEEE CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1565609141 GTNHUSKMVOTJOH-GOSISDBHSA-N 429.414 2.298 30 10 IEEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)c(C#N)cn1CC 1584133067 QHRUYMMOJNHFPL-JOCHJYFZSA-N 443.504 2.386 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1587804219 VFEKLCVMVXLORH-UHFFFAOYSA-N 443.596 2.338 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587831547 POEBLBKIAWRQNM-LJQANCHMSA-N 436.516 2.134 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1587879039 NHPYKFQDWYYPFU-HXUWFJFHSA-N 445.589 2.405 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1587882921 SUBLRALWABLCQY-KRWDZBQOSA-N 444.532 2.304 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588059078 IZRQPAGCPJDJMN-VQTJNVASSA-N 435.638 2.224 30 10 IEEE CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1588079684 SLQNWDSHSVCWBF-UHFFFAOYSA-N 435.452 2.041 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCn1cc(Br)cn1 1588120973 VADAUKZQOVAHRC-UHFFFAOYSA-N 426.322 2.406 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1C 1588194555 XJAUWHFJGUHZIZ-AZUAARDMSA-N 440.569 2.484 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1588384904 CZOZOJCRSPRPPK-ZWKOTPCHSA-N 431.562 2.070 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1594004180 XOOFUDSYNCVNMF-UHFFFAOYSA-N 443.573 2.263 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1595475147 AXOWIJBSHVOPBV-OAHLLOKOSA-N 430.578 2.426 30 10 IEEE COC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(C)c1 1596003480 LQVKFUFMQIJMEW-LJQANCHMSA-N 429.498 2.221 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1611766926 DTJBVYPTECJAAK-DQLDELGASA-N 435.594 2.251 30 10 IEEE CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1614980691 DOFVKTMUSAURKI-WOJBJXKFSA-N 449.559 2.086 30 10 IEEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1615892700 CMHKUBBTWYICMB-OFNKIYASSA-N 429.613 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cscc3C#N)CC2)CC1 1618244211 PWUJWPNFTSJJQH-UHFFFAOYSA-N 433.534 2.050 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)C1 1619954324 DEXJKGXJELIGAZ-ABSDTBQOSA-N 440.548 2.219 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1627303839 VBFSFJNSUNUGOY-CABCVRRESA-N 427.933 2.434 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 1630035022 ZEYNZIYEDFBDAU-WOJBJXKFSA-N 440.544 2.297 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)c2cccc(C#N)n2)CC1)C(=O)OC(C)(C)C 1634028320 SDBCUZMSHQOAHY-UHFFFAOYSA-N 429.521 2.321 30 10 IEEE COc1cc(F)cc(C[C@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1637813046 KRONMHUKOKTHPW-AWEZNQCLSA-N 433.505 2.400 30 10 IEEE C#CCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331506 WQGUXWUGFKMOLE-BQYQJAHWSA-N 426.517 2.316 30 10 IEEE COc1ccccc1/C=C(\C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1640636515 JEZLUAHIXLGBAB-JAIQZWGSSA-N 428.448 2.453 30 10 IEEE N#Cc1cccc(C2(NCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CCOCC2)c1 1643869593 YIUFEBULUSAGFQ-UHFFFAOYSA-N 449.511 2.411 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)C1 1684083514 WBFSTTXAALYYHF-PMACEKPBSA-N 427.549 2.483 30 10 IEEE COC[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CCCOC1 1685323630 BQMMMJCBUSHZJM-CTNGQTDRSA-N 438.532 2.222 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1689898110 SCFQZSKGEMSYBP-FQEVSTJZSA-N 442.589 2.072 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1689930076 KHZRXQCJFUMHJK-APWZRJJASA-N 429.546 2.106 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1689939740 BGCJTNONDWNPMS-WOJBJXKFSA-N 430.597 2.045 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1689955363 DVWXXRWWTAEHEQ-UHFFFAOYSA-N 425.411 2.100 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC[C@@H]1C 1689973284 AXULTTKLOYSACP-INIZCTEOSA-N 448.365 2.410 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCc1cnn(C)n1 1690004911 KRXLQHRBBUVFNW-UHFFFAOYSA-N 425.443 2.381 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@@H]1OC 1690090008 SOMJMLXMWNWCRY-IHPCNDPISA-N 441.507 2.060 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(OC)nc1 1690104008 KGTQLJHGOLBPAO-FQEVSTJZSA-N 435.484 2.329 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOC[C@H]2CCCO2)CC1 1690117311 CLWWKTMABAXJFD-JOCHJYFZSA-N 439.560 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C)CC2)CC1 1690138130 SOSLKVILLXWHHM-QHCPKHFHSA-N 429.565 2.085 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CC)C1 1690174812 KOVVQYXJMZGKPL-LJQANCHMSA-N 441.605 2.434 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1690176807 AVNYQIQWKUWYCF-UHFFFAOYSA-N 436.029 2.478 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690749087 QSTIHLDTJWUZIP-INIZCTEOSA-N 425.562 2.103 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1697978469 RDYHSCWRIMFJCF-UHFFFAOYSA-N 448.531 2.272 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1698062804 HZYNHKKNNXOHSX-CEXWTWQISA-N 434.585 2.384 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1698129603 NHAIZBSAIWZDIB-KGVIQGDOSA-N 433.553 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1-n1cccn1 1705603864 YNUKCQSQRFKGDM-SFTDATJTSA-N 445.527 2.094 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCCC2)CC1 1705646833 PRAGPBULRYHMST-UHFFFAOYSA-N 437.544 2.225 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705660400 URWLBKLROUPDDL-HOTGVXAUSA-N 448.593 2.089 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1 1705884514 QMMQZIWSFXJQPD-HNNXBMFYSA-N 439.607 2.447 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)[C@@H]1CC 1705896737 WQAJFEPHJXHSSB-HOCLYGCPSA-N 442.589 2.148 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCCCC2)C1 1705916223 ZWHVWFIYKMOUJU-WOJBJXKFSA-N 430.597 2.417 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCC)C1 1705925961 WMWSWOHVTFWVGT-RBUKOAKNSA-N 446.573 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1705926564 GUNPROWJWALLTA-FGZHOGPDSA-N 440.592 2.402 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1706139397 VODWQTPGUXAJCZ-GOSISDBHSA-N 426.521 2.207 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1722366002 GURDEIFWYXVEKV-RBUKOAKNSA-N 428.558 2.107 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1722376746 BPHCWWPFRYXNIM-NRFANRHFSA-N 428.540 2.413 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCOC1 1722380078 CAHJFSXBDUBHQE-SFHVURJKSA-N 430.512 2.174 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)C)CC1 1722736332 YGEBDVXRSZAZDF-UHFFFAOYSA-N 439.593 2.370 30 10 IEEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1722742596 YXDLQGBWIGOXIG-IBGZPJMESA-N 440.573 2.221 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1N(C)CCCC1(C)C 1727606996 HLNMTSZPFBWFIP-HKUYNNGSSA-N 437.596 2.338 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1728628690 GTWWBLRINZHNRX-AUSIDOKSSA-N 437.592 2.310 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(OCCOC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1728798501 PXMJYGRDOMYONR-QFIPXVFZSA-N 445.520 2.075 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1729369446 KJCSNTJFBWJUEG-QURGRASLSA-N 447.499 2.244 30 10 IEEE COCc1nc(Cn2c(-c3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)cs1 1730531855 AYZDXMYRWVXIQS-HNNXBMFYSA-N 426.502 2.334 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1740556881 KCXXSOWZQVEAKV-OAHLLOKOSA-N 439.969 2.296 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1740628094 NFZPXPYHERKNFX-NVXWUHKLSA-N 447.561 2.090 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CC1 1740693545 CDXNOOQOWUZJJN-UHFFFAOYSA-N 442.449 2.147 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1740741019 CDACZQXUKKNKHM-CQSZACIVSA-N 440.729 2.458 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1740794900 KBOLQZRXEKURST-NRFANRHFSA-N 433.597 2.313 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740806280 LDAYUXMAUFBDMB-UHFFFAOYSA-N 430.940 2.179 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1748686501 QKPAICAVMOHAFY-OAHLLOKOSA-N 431.924 2.251 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCC(=O)N1CCOCC1 1748772044 MJUCCSIHNOLACJ-SFHVURJKSA-N 441.532 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccco2)CC1 1749009600 UEDOPMZLZUNTGV-DEOSSOPVSA-N 448.527 2.115 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749232932 YCYLLLOBWCOMHJ-UHFFFAOYSA-N 447.543 2.214 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)NC 1749531401 GYFVKCKJRKVGNR-IBGZPJMESA-N 444.561 2.133 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(F)cc1 1749722016 YSMHCOQFOITPFW-OAHLLOKOSA-N 437.541 2.354 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C(=O)OC)C1 1749725613 SSPFFSNHVUVXKP-RBUKOAKNSA-N 446.573 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)NCCCC)C2)nnc1C(C)(C)C 1749739642 INVKKNJYHBGGSH-QGZVFWFLSA-N 439.626 2.309 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN1CCN(c2ccncc2)CC1 1760120587 LOTXLJGWDRSHPJ-NRFANRHFSA-N 444.587 2.329 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccn(C)n2)c1 1760128639 ODYXSLOOJDKXOQ-FQEVSTJZSA-N 433.516 2.358 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189686 KYLGVLDUIIFCFY-RTBURBONSA-N 447.630 2.222 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCC2CC2)nc1 1760207073 WWGSRYOOJUMHHS-UHFFFAOYSA-N 429.528 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1C[C@H](C)O[C@H](C)C1 1760223904 QIXLBWMMBLAFPT-SZPZYZBQSA-N 437.592 2.102 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2CN(C)C(C)C)CC1 1760258652 ATCRSSMBNNRYFQ-HSZRJFAPSA-N 436.604 2.426 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1760436875 JFTFTBNRJFHNAE-GOSISDBHSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1ccccc1CC 1760520081 BQYVSULHYJJSGR-UHFFFAOYSA-N 433.516 2.280 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C 1760528774 LZEFWMKJKBXTKP-QGZVFWFLSA-N 430.597 2.353 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCS(=O)(=O)CC2)cc1 1760530416 UCYKEWYXNXNXGW-LJQANCHMSA-N 432.546 2.368 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)C1 1760585541 BZTHYFDJNINOOD-FQEVSTJZSA-N 440.548 2.458 30 10 IEEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1 1761390811 DSMOATPPHFKERK-FUHWJXTLSA-N 433.472 2.122 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1765437022 DEUMIZVUVDZCRH-OFNKIYASSA-N 435.532 2.470 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[C@H]1COCCO1 1766433530 QFXKZUQAEALZBV-PMACEKPBSA-N 427.505 2.070 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C2CC2)cc1OC 1767548154 CDWOIMSVZRKEPH-JTSKRJEESA-N 427.505 2.242 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1770156639 KDMIBUNBCYYOLM-FDDCHVKYSA-N 441.532 2.254 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1 1770832389 AQGWSMGEJNFAIW-JXLCAQNNSA-N 443.458 2.348 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCS1(=O)=O 1771113281 PDSLMJPSKSJDHA-QGZVFWFLSA-N 437.591 2.264 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccccc2F)C1 1771528463 AYTYYRDNEXROMH-JOCHJYFZSA-N 437.454 2.275 30 10 IEEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1772846364 PLSMOJZNCDEVRI-UHFFFAOYSA-N 436.520 2.282 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCc4[nH]nc(C#N)c4C3)cc2)C1 1849599971 SVUVYNUSLZGTPO-GASCZTMLSA-N 427.530 2.146 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 1850543851 BMNVABCRNGGITD-QFIPXVFZSA-N 431.540 2.377 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)CC1 1850662442 IJHZONIRGDLCEL-SFHVURJKSA-N 426.492 2.179 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862681813 HOBDVEWJURFMDX-IBGZPJMESA-N 440.427 2.327 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(NC(C)=O)ccc3C)CC2)CC1=O 1872917920 NVQXRRGBAVRBEI-GOSISDBHSA-N 426.517 2.165 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3c(OC)nc(C)c(C)c3C)CC2)CC1 1889366963 IOHJZPMCASDGBI-UHFFFAOYSA-N 442.604 2.278 30 10 IEEE CN[C@@](C#N)(Cn1cnc(I)c1I)C(C)C 1995379833 HDDCNPVDIXQPRT-JTQLQIEISA-N 444.058 2.230 30 10 IEEE CO[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2010547506 YCDWMZZZKNNJTJ-CVDCTZTESA-N 428.533 2.249 30 10 IEEE C=C(Br)CS(=O)(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1 2010580547 NSUVHHZFFWEOHY-QWHCGFSZSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060641414 IYEPLVOJRFNZMD-OAHLLOKOSA-N 430.314 2.328 30 10 IEEE COC(=O)[C@@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2124540263 FNWMWCYNFRESNS-MRXNPFEDSA-N 448.325 2.381 30 10 IEEE C=C(CS(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H]1C)B1OC(C)(C)C(C)(C)O1 2243416619 HTOQVLWNSYIJKX-CABCVRRESA-N 430.376 2.491 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2255541633 FHBOCIHCZWOOOJ-HZPDHXFCSA-N 432.326 2.390 30 10 IEEE COC[C@]1(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OC(C)(C)C)C1 2255596735 YNMFGTOKIHCDSO-QFIPXVFZSA-N 436.358 2.401 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255602365 RBZVZWSEFDQLIH-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@](C)(NC(=O)OC(C)(C)C)C1 2255874827 YPWGBSPTRMRFPL-JOCHJYFZSA-N 433.358 2.454 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2255876163 JSPCLRHBIUMWRF-HNNXBMFYSA-N 435.330 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256617701 LLLKJMQDCOJWBB-ASSNKEHSSA-N 449.382 2.316 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2265106420 BDRPBDGFNHQIFS-KFWWJZLASA-N 431.327 2.313 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267095889 GTVFPZWCTDNPRA-UHFFFAOYSA-N 448.373 2.476 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267138784 XCOPYVOYBQEALQ-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CCc1nn(C)c(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267140465 QPROVNITTDNTFR-UHFFFAOYSA-N 446.357 2.446 30 10 IEEE Cc1ccnc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2267511860 ARZZIVGRBOIIEQ-UHFFFAOYSA-N 443.353 2.382 30 10 IEEE Cc1cc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267606459 XWQZOLGZHLCKIC-QZTJIDSGSA-N 446.353 2.316 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1 2268680214 KPLUUNHJQQTYCG-INIZCTEOSA-N 447.341 2.001 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2270597816 IHTPMANUTCPKID-AWEZNQCLSA-N 441.259 2.054 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1OC 2296769425 CPGGYKLXJDZCLC-GOSISDBHSA-N 428.397 2.026 30 10 IEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(O)cc2)cc1 2296929616 PICTZUPABGHIER-FQEVSTJZSA-N 427.453 2.222 30 10 IEEE Cn1c(=O)c2nc(CC(=Nc3ccc(Cl)cc3)c3ccccc3)c(=O)[nH]c2n(C)c1=O 2297640449 KJYHNEULFIHRGT-UHFFFAOYSA-N 435.871 2.337 30 10 IEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(O)c(O)c1 2327450086 PYTLKFXPVNQNGB-UHFFFAOYSA-N 435.412 2.006 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1 2329012425 SFOLRTWVRZBFQO-MRXNPFEDSA-N 444.561 2.209 30 10 IEEE N#Cc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 11242907 YHEIBIZOOVZKAP-UHFFFAOYSA-N 427.482 2.141 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)OCCCNC(=O)c1cccs1 96760819 TUMFITNXOWJDOE-UHFFFAOYSA-N 438.527 2.409 30 10 IEEE COc1cccc(CN2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254382814 YZHLEDGTSBGAOD-OALUTQOASA-N 446.550 2.371 30 10 IEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1)c1ccc(O)cc1 254716319 ZHPQBWDFHYFCMV-UHFFFAOYSA-N 432.484 2.332 30 10 IEEE N#CCCC[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 433023687 SKVOKGDIAMDXRH-HKBOAZHASA-N 433.574 2.206 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 440446189 AXNAGRRJHNGDQP-UHFFFAOYSA-N 429.464 2.405 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cn1 462090707 WWGNRLFXPZNCNZ-UHFFFAOYSA-N 437.410 2.407 30 10 IEEE C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480946728 DJZXSLFIXGQUDD-OXJNMPFZSA-N 448.548 2.144 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 482368418 WSIMLRBHRCDJHR-OAHLLOKOSA-N 443.525 2.497 30 10 IEEE CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(c2ccccc2F)C1=O 488255015 YWUADWPIXPCZOL-TZIWHRDSSA-N 449.486 2.245 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccccc1C#N 515663766 MPVACNUGIYMPIM-UHFFFAOYSA-N 444.472 2.407 30 10 IEEE C=C[C@H](CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 555521556 PJSQFGJLDHMUST-VQTJNVASSA-N 435.572 2.309 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CNc1cc(I)cc(C(=O)OC)c1 556278411 WRYVSOMNCBJHEJ-NSHDSACASA-N 429.258 2.498 30 10 IEEE COc1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)ccc1C#N 558614117 HLCUVVMJRRBAFP-UHFFFAOYSA-N 428.923 2.059 30 10 IEEE Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cccc(Br)c1C#N 561538459 MUXCUNWLBPFBSH-OAHLLOKOSA-N 439.335 2.433 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 564474988 ZDLYOJVUVQHRCD-HNNXBMFYSA-N 434.522 2.195 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 569649213 BLLFVUCNWTYRQK-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)c(C#N)c2N)cc1 590070568 IRIHSFNDEMXCQK-QGZVFWFLSA-N 444.543 2.415 30 10 IEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)c(OC)c1 604043903 YEIFWRBBCDGWIY-UHFFFAOYSA-N 449.916 2.376 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 609560120 YWBGXALTZXYMQS-UHFFFAOYSA-N 442.907 2.271 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)c2)CC1 610435048 VMXBCMSIBVCYDO-QHCPKHFHSA-N 431.540 2.482 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N4CCN(CC)CC4)cc3)cc2C1=O 620859155 JVPQWQSQXOBHSR-UHFFFAOYSA-N 446.507 2.499 30 10 IEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccccc3)c2=O)c1 726579508 FWCNIFSOFINGCL-UHFFFAOYSA-N 448.507 2.417 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CC(C)C 726581298 SPVXEVDFCKNBLU-MRXNPFEDSA-N 435.553 2.265 30 10 IEEE N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 731257500 YANRUXQVEKOSHZ-WOJBJXKFSA-N 427.501 2.427 30 10 IEEE CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732893366 DIUXZLZSJOKZPF-AWEZNQCLSA-N 432.546 2.360 30 10 IEEE CC(C)OC(=O)N1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 733044011 FZVWYHUNNOTURU-UHFFFAOYSA-N 430.509 2.265 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 734292461 PHRBVPPNABSFJU-UHFFFAOYSA-N 436.515 2.467 30 10 IEEE COc1ccc(CNC(=S)NN=Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 745985847 ZJCXMYWUCXZNCI-UHFFFAOYSA-N 436.921 2.220 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCN(c2ccccc2F)C1=O 758778232 RPUPMMIDSAGMKH-QGPMSJSTSA-N 445.495 2.331 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(C)c2C)C1 760303070 XLCYDZKAVDGMQY-NVXWUHKLSA-N 431.562 2.175 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@H]1CCCO1 761835457 JXYFISKPRBECQO-OAHLLOKOSA-N 441.578 2.295 30 10 IEEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 779354400 DAGDLAYSQNPSCF-HXUWFJFHSA-N 448.483 2.139 30 10 IEEE COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2c(Br)cnn2C)NC(=S)N1 783826876 XRNXYIREYMQMOU-SNVBAGLBSA-N 441.332 2.073 30 10 IEEE CCOC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2ccnn2-c2ccccc2)NC(=S)N1 790342556 PMXOBWXMLKNLGZ-GOSISDBHSA-N 433.493 2.486 30 10 IEEE C#CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 795468630 ILKZBWYTVCPDCA-FDIDQYAWSA-N 438.590 2.355 30 10 IEEE CC[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 797816226 LTSVGBOEUVFMHA-SIIHOXLZSA-N 432.546 2.213 30 10 IEEE COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1 803923198 ZTTJZCBXIMNJTO-UHFFFAOYSA-N 439.443 2.344 30 10 IEEE CCCn1c(COC(=O)CC2(C#N)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 815412743 PVCDCAQNSWFJLQ-UHFFFAOYSA-N 446.529 2.204 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(C(=O)C(C)C)CC1 914494481 MHZNSSFFHHVYIR-GOSISDBHSA-N 448.589 2.047 30 10 IEEE Nn1c(NN=Cc2ccccc2O)nnc1SCC(=O)Nc1nc2ccccc2s1 1084622137 RPMLLIRANBDNGX-UHFFFAOYSA-N 440.514 2.484 30 10 IEEE CNS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)cc1 1124611555 LIRKKGCXISXSPP-UHFFFAOYSA-N 436.331 2.229 30 10 IEEE CO[C@](C)(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)OC(C)(C)C 1125189579 XVCIVFJHSJYFRY-SUNMQZQPSA-N 439.534 2.185 30 10 IEEE N#Cc1cc(F)c(OC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c(Br)c1 1131598344 XAICLSCNHSPLKQ-OAHLLOKOSA-N 431.221 2.485 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 1136884697 PLZGDZGKHMRVHD-RBUKOAKNSA-N 429.565 2.015 30 10 IEEE C=CCOc1ccc(CC(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1142741560 MZAITIXGPAXBFK-UHFFFAOYSA-N 428.554 2.341 30 10 IEEE CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1159703576 BLVSQWODGDBVMO-LJQANCHMSA-N 443.935 2.233 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)CCOC1 1167320491 CAVWPZOLOISPMI-VWLOTQADSA-N 449.507 2.227 30 10 IEEE N#Cc1ccc(C(=O)N2CCC(c3n[nH]c(CNC(=O)OCc4ccccc4)n3)CC2)[nH]1 1167521526 WZFWWNBDIUJQDS-UHFFFAOYSA-N 433.472 2.451 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286351970 WEFXZVFZDCFDRD-OAQYLSRUSA-N 438.551 2.164 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286396958 ZBNBHXLGMIHJRS-XMSQKQJNSA-N 446.548 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1286419137 NTZPDZWEJOMUGR-CYFREDJKSA-N 435.528 2.150 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CCC1 1286515406 YLPLWAMBLRLWIU-KEEVHDRGSA-N 426.546 2.219 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccsc2)CC1 1286664312 WBIQAJKPNYAIFX-KRWDZBQOSA-N 437.591 2.123 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286784750 SFHLMYBLZLZLEO-SBUREZEXSA-N 438.532 2.351 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(C(C)=O)CC2)C1 1286814340 QBRONDAJAIPLCC-ACRUOGEOSA-N 447.580 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1286821473 MHKOZPBPUZZCFL-QFIPXVFZSA-N 432.590 2.484 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1290725195 HURNMGDEYOCUKH-XFXZXTDPSA-N 437.537 2.062 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCCO1 1291279888 WVJHZFHAXJMFDK-LPHOPBHVSA-N 438.532 2.259 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1291290459 ACSVLZWBXYDDSI-QZTJIDSGSA-N 426.569 2.308 30 10 IEEE N#Cc1ccc(NCC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)nc1 1293184600 TYKLBTUGYKAEOS-UHFFFAOYSA-N 446.511 2.436 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)c1 1294447792 OKYJVSJXHBCFEN-QFIPXVFZSA-N 438.549 2.447 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)CN3CC[C@H](c4ccccc4)NC3=O)C2=O)cc1 1296292152 CTRDLTSAEKRGDN-RTWAWAEBSA-N 431.496 2.326 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccncc3C(F)(F)F)C2=O)cc1 1297167903 QNKUKVFTAGZYFL-INIZCTEOSA-N 431.374 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1300306993 BCMPSRKNPSYYIR-CHWSQXEVSA-N 442.463 2.427 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1300316712 BYSPNGJGGCQGFZ-KRWDZBQOSA-N 430.574 2.497 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccsc2)CC1 1300732764 OQGOUPGYNVHCNS-UHFFFAOYSA-N 432.619 2.166 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1300914362 CQUFHUROMZFDSY-DLBZAZTESA-N 443.639 2.157 30 10 IEEE COC[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1300974118 DRVNJOKCOYSQEE-BRWVUGGUSA-N 436.557 2.465 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)NC)CC1 1301209471 VTKGPWTXFTUUNE-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE C=CCCOCCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@]1(OCC)CCOC1 1301258909 CVVCPNWKQAGFHX-QFIPXVFZSA-N 429.521 2.186 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C(C)(C)C)C(C)C 1301372269 WAOSOQIOMFKXKE-RBUKOAKNSA-N 432.613 2.225 30 10 IEEE C=CCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474266 XGFQCICZFJFQAT-YYIAUSFCSA-N 430.553 2.482 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)C1 1301558219 UGAWRSLEEXEYAA-ARFHVFGLSA-N 430.521 2.397 30 10 IEEE C=CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301620513 GLTHXDXFGOYLJZ-NRFANRHFSA-N 437.610 2.297 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1303735140 AWBGBPZNBHLVQS-BTYIYWSLSA-N 430.459 2.449 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(Cl)s1 1303835584 BWAQEJUTOGYFHZ-BZNIZROVSA-N 446.961 2.288 30 10 IEEE Cc1ccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1304362885 OCEUUIVWVKVZEE-JTSKRJEESA-N 428.537 2.113 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOC1CCSCC1 1304718527 AGIOVIIBVBJBIX-UHFFFAOYSA-N 439.603 2.314 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C(C)C 1310074650 HHKJESHJWJOPEV-IBGZPJMESA-N 448.589 2.477 30 10 IEEE CCOC(=O)c1c(NC(=O)NCCc2ccc(O)c(OC)c2)c(C#N)cn1CCOC 1310523077 HOJOPRZBSDCRCM-UHFFFAOYSA-N 430.461 2.261 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)c1OC 1313190956 OWJGVGXRNYSJCM-LJQANCHMSA-N 434.496 2.210 30 10 IEEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1313953601 IXKHFDJUXSFCEG-HSZRJFAPSA-N 437.596 2.283 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1314953536 UMIHAVMBRLTHNJ-SJLPKXTDSA-N 438.532 2.178 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccsc1)N(C)C 1316212709 XQAVDBPQABINFA-BPQIPLTHSA-N 434.566 2.095 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 1355327980 OOIZVBIDEQDJSO-UHFFFAOYSA-N 428.518 2.397 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CC2)C1 1358922300 AQZQESVVRWBBRW-UHFFFAOYSA-N 443.573 2.226 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNS(C)(=O)=O 1358972555 JFZAGWFMZZGQJD-UHFFFAOYSA-N 445.614 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1c(C)noc1C 1358989298 WZZHDAIPWJIDGB-UHFFFAOYSA-N 441.499 2.231 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1359024459 NLXZYIUCNXOAHV-ZWKOTPCHSA-N 435.569 2.417 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1359055288 ZHISCMOYKLWCJI-UHFFFAOYSA-N 438.557 2.088 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359055559 HQOLZXAAEGPULW-UHFFFAOYSA-N 425.624 2.162 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359059188 DFNFMHZNCDYZHO-ZIAGYGMSSA-N 441.648 2.258 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359127943 FHDBZAILDMEAES-OXJNMPFZSA-N 441.532 2.270 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(C)(F)F 1360240895 TZJWQCBAKXVBFD-UHFFFAOYSA-N 432.479 2.055 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC1 1360470631 SINJSGXRCVTRNP-INIZCTEOSA-N 425.493 2.456 30 10 IEEE C=CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(C)(C)C 1437777049 UKVBQUVABICRGD-UHFFFAOYSA-N 448.589 2.340 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)cc2n1 1456185933 VRTCTGDPKPNTFQ-INIZCTEOSA-N 436.534 2.489 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CC(F)F)(C(=O)OCC)CC2)c1 1457137582 XFPWSVKVADFRTG-UHFFFAOYSA-N 442.484 2.039 30 10 IEEE N#Cc1cc2c(n(CCn3cnc(Br)n3)c1=O)CCN(Cc1ccccc1)C2 1459178974 HRXXLVFZBKBFPZ-UHFFFAOYSA-N 439.317 2.332 30 10 IEEE Cc1ccccc1NC(=O)Cc1nc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1473850597 PASWQNMVJIWVPJ-MGPUTAFESA-N 430.555 2.003 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 1475094870 BXGVNSRXEDOGBS-SJORKVTESA-N 442.379 2.367 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NCCc2ccccc2)cc1 1475973655 LEVUUDKTOONNMM-QGZVFWFLSA-N 444.557 2.362 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1499954253 BZGHJSGTARHVTP-MGPUTAFESA-N 433.582 2.385 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1502468575 BLEZGTGEIHYQDA-OALUTQOASA-N 442.545 2.027 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)c(OC)c1 1504197862 CBSMUXCCUANJKJ-UHFFFAOYSA-N 436.472 2.144 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@H]1C 1507521829 QQBKRNMFNJVIMX-JLHGSKIFSA-N 445.589 2.204 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1507613244 ZJTDIBIBDCXYRV-RBUKOAKNSA-N 446.596 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)c1ccco1 1507648939 WQWYPGIXJFBELI-UHFFFAOYSA-N 439.479 2.227 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCN(CC)CC1 1507705237 QHLNXUURDCRHGH-SFHVURJKSA-N 445.999 2.106 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507954979 SZXSZZMISWGPPU-QZTJIDSGSA-N 433.582 2.196 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CC3(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1508097436 IHUVTBQPUNVZFM-UZLBHIALSA-N 439.507 2.104 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1508133765 LWSRUEWMRTXPOR-UHFFFAOYSA-N 443.573 2.406 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1508138910 AKRMCMKEQCFMSZ-MRXNPFEDSA-N 444.561 2.485 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)O1 1513535675 ODUIIPHQCVOYMT-XNFNUYLZSA-N 438.598 2.366 30 10 IEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1516036850 AJPIVZOMDDNKSQ-UHFFFAOYSA-N 439.520 2.010 30 10 IEEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)CC2)cn1 1517378179 HMDUUDTUJUKCMB-UHFFFAOYSA-N 434.548 2.430 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1518834783 QDMIXSJWGAAKNW-LJQANCHMSA-N 438.488 2.385 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)cc1OC 1519450621 QWMLERDVMZTECA-IEZWGBDMSA-N 447.923 2.441 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3ccccc3Br)CC2=O)cn1 1529753269 JXCOCRZTSYZRHG-DYVFJYSZSA-N 446.305 2.026 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)C2CC2)n1 1538639526 SWKDYEYBIVMVOF-UHFFFAOYSA-N 427.482 2.392 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)N(C)C2CC2)c1 1539042898 LAEPLQSVXFTFQK-HKUYNNGSSA-N 436.560 2.321 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1CCCO[C@H](C)C1 1539194722 FYTKTUBMCLTYTF-LJQANCHMSA-N 427.549 2.436 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1539382659 NAJNDCYXUGJJRO-QURGRASLSA-N 434.500 2.151 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539916887 PKNWVZGIOOSAMU-WMZOPIPTSA-N 448.593 2.094 30 10 IEEE N#Cc1c(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)nc2n1CCOC2 1540003832 XHKGGFLBFONOFF-UHFFFAOYSA-N 426.433 2.314 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540019941 GEDWVKATUYUBJF-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1540052076 WBTLSZVHJOTULU-UHFFFAOYSA-N 428.356 2.246 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1540084195 PAOFFTGOZPORNR-UHFFFAOYSA-N 444.561 2.244 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1540872857 COGGIZAOKBYCJY-SFHVURJKSA-N 449.534 2.420 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1555494021 DFMXYCZXLFRAMS-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)coc2C)CC1=O 1555583396 WBBSDDYHMPWGIN-UHFFFAOYSA-N 434.500 2.370 30 10 IEEE COc1ncc(Br)cc1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1557527247 FXNNFKHGRVEIOP-UHFFFAOYSA-N 427.262 2.422 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(C2CCSCC2)n1 1557856186 CFDJYLXLELVZKL-UHFFFAOYSA-N 433.559 2.409 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1560071886 QOOXGVAARNFQEQ-QZTJIDSGSA-N 448.564 2.490 30 10 IEEE C#C[C@@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC 1562144999 CPWAPCWHBHIFHW-QGZVFWFLSA-N 436.578 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCNC(=O)CCCc2ccccc2)[C@H](C#N)C1 1564530471 CXDJOGHUAAMYNJ-RTBURBONSA-N 443.548 2.184 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)C1=O 1568439933 IJWAQDUNFVEBJB-UGSOOPFHSA-N 434.459 2.490 30 10 IEEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1570830613 DHECJCKKERHOIR-MRXNPFEDSA-N 432.933 2.471 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1587632961 QGWNDJNYSMKWKU-MJGOQNOKSA-N 425.533 2.145 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1588074605 PBWZSINXIBCUAF-MSOLQXFVSA-N 442.564 2.135 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1588139078 LDYKQBOWGLCYNL-FDDCHVKYSA-N 445.564 2.066 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(SCC)c2)CC1 1588733071 LTZMIHYSBZTEMC-UHFFFAOYSA-N 426.590 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 1588892063 WLDNSGGFNIMNFR-JYAXBFRTSA-N 443.592 2.404 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2C)CC1 1594097576 VJLOKJYYPXKLNX-HXUWFJFHSA-N 445.589 2.433 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1594733141 NUGYFVYGKZFGDG-GOSISDBHSA-N 425.599 2.450 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 1595721809 GRVOORXRBQMMFO-RBUKOAKNSA-N 446.573 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1595788951 LPYCJRMQAOLKDW-QGZVFWFLSA-N 432.546 2.423 30 10 IEEE CC(C)C(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1598114216 HZRBXIBZHJXTFT-HNNXBMFYSA-N 445.955 2.372 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)CCO1 1612977192 BRGAPKBEBUTYIV-IBGZPJMESA-N 440.548 2.066 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)N(C)[C@@H]1C 1614400942 JDAYEHRXAGSBCP-GPMWBCNRSA-N 441.575 2.211 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)OC)C[C@@H]3[C@H]3CCCO3)cc2C1=O 1617305866 IERGGOBIVOPKRN-KFKAGJAMSA-N 426.469 2.041 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1618460610 VJMGSRFKVJHKRX-IEBWSBKVSA-N 429.517 2.089 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1619817561 MSZUOURRJNMSBP-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE COCC#CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1624021903 SBWAVSYVPYOWIO-RVDMUPIBSA-N 440.424 2.099 30 10 IEEE O=C(COc1ccccc1CNC(=O)C(=O)/C=C/c1ccc(F)cc1)NC[C@H]1CCCO1 1624826022 BSGFMTCFPPNDII-RGFVMQALSA-N 440.471 2.398 30 10 IEEE COC(COCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)OC 1625383333 ODWIJUBKNMYCJO-IBGZPJMESA-N 433.505 2.144 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1625892512 FEKRRNBWIFMNII-CYBMUJFWSA-N 433.933 2.120 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)[C@H](CO)C1CCC1 1627448104 LGLWWFSMDFNOCB-HXUWFJFHSA-N 441.553 2.305 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 1628666894 LLRDIBRPXICIHI-OAQYLSRUSA-N 427.526 2.223 30 10 IEEE COC(=O)[C@H](COC(C)C)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1631689689 HOTFJWPHLVTFEZ-IZCOPSDLSA-N 437.537 2.198 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(OC)c(O)c1 1637317684 GNDDIHRYQNTGPE-KRWDZBQOSA-N 445.541 2.357 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)s1 1637337627 PEIXOMMPALXOQF-QZTJIDSGSA-N 448.566 2.170 30 10 IEEE CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1638844368 DQVGSZQSOXAKAM-QGZVFWFLSA-N 431.968 2.097 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 1639146421 KDOCTZXWGQRBQP-BULFRSBZSA-N 441.553 2.210 30 10 IEEE O=C(c1cc2nn[nH]c2cc1F)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1640503476 LDNJVFZXVVPGES-KGFZYKRKSA-N 427.280 2.311 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 1644587736 RCAACVDJJJYHLL-SFHVURJKSA-N 425.489 2.380 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1645087691 HYLHSUYIUSENPH-IBGZPJMESA-N 442.564 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCC[C@@](C#N)(c4ccccn4)C3)OC2=O)C1 1647980490 AHAGRIXUDBYAFS-JTSKRJEESA-N 426.517 2.491 30 10 IEEE C#CCN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649382800 MIJAKZDHKXYUKU-GJZGRUSLSA-N 431.455 2.305 30 10 IEEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 1654466127 OAIJGSLUOZQTPF-VWLOTQADSA-N 431.540 2.491 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1655094502 XPDXRZQHKPNLBF-WOJBJXKFSA-N 445.633 2.032 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CC1(C(=O)OC)CC1 1667305260 PMUYMIIDKYWKOY-OAHLLOKOSA-N 442.331 2.491 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)c1ccc(Br)cc1 1683512333 KJBFPQFFBQPTGL-WMLDXEAASA-N 442.379 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H](C)C1 1689847301 WUZSRBBPYOTZHF-QZTJIDSGSA-N 443.621 2.428 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689895373 RIHNHMMIOBCRFO-UHFFFAOYSA-N 435.507 2.398 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1689979903 IXIPSGQYURVSQL-CQSZACIVSA-N 436.607 2.226 30 10 IEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCN1CCOCC1 1690181086 OYJZNFISQIOSBY-UHFFFAOYSA-N 438.601 2.485 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690183263 RPBMUCHHDQVYLK-KRWDZBQOSA-N 427.530 2.173 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCO3)CC1 1690364267 MQFDDTZAUSNHKR-INIZCTEOSA-N 431.562 2.418 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1690592556 BCLWXEFXPPHOLR-GOSISDBHSA-N 449.559 2.091 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690667107 QIQXSVCSOUCKCW-HXOBKFHXSA-N 441.532 2.030 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1692578030 BSXILUOCDNWQMV-NLSFWIRASA-N 444.580 2.363 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1694146730 DLTKYINUSMESIP-LPHOPBHVSA-N 446.577 2.180 30 10 IEEE C#CCCCn1c(C2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705532635 CSDDKWAMTQMWOU-IAGOWNOFSA-N 431.537 2.319 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705533210 VQZMAUFWEINDQH-IBGZPJMESA-N 439.564 2.409 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705569244 FJDLEHABWCAWDC-LPHOPBHVSA-N 446.548 2.464 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)cc2OC)CC1 1705634582 CFGVDVCYKWLXFL-LJQANCHMSA-N 427.549 2.123 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705661183 USENAJZDAASYNR-GOSISDBHSA-N 436.578 2.388 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1705737717 YFHFDJXBNQHVBY-INIZCTEOSA-N 426.583 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705899302 OITFSQQALDQDAC-GOSISDBHSA-N 427.505 2.227 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705902311 BHSIJLWKWMUFKK-SFHVURJKSA-N 427.505 2.230 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705936849 ZKMAEEIBOKWVTP-MSOLQXFVSA-N 434.566 2.196 30 10 IEEE Cc1nc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)sc1C 1706994971 FEHWNESXESWCSB-JXFKEZNVSA-N 432.550 2.169 30 10 IEEE Cc1nc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C 1706994972 FEHWNESXESWCSB-OXJNMPFZSA-N 432.550 2.169 30 10 IEEE Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)CCO2)o1 1707843297 BPTRQJKCMKBGAK-AVRDEDQJSA-N 437.504 2.493 30 10 IEEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)s1 1707847692 FSKUNLMKHPKHEG-UHFFFAOYSA-N 438.561 2.428 30 10 IEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1710602431 LQLWABACHURRPE-UHFFFAOYSA-N 440.548 2.098 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1710603536 ZGZIPWBHUFODBX-UHFFFAOYSA-N 440.548 2.098 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1711162835 JMVLJMZOJHTBEV-MJGOQNOKSA-N 438.532 2.116 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@@H]1C 1712005631 GPGOVVVTIJHRPG-SFHVURJKSA-N 440.548 2.326 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC[C@@H]1C 1712090615 YFLWYPKBWJEYMN-PXNSSMCTSA-N 440.548 2.458 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1712526432 XEAIWMXNBZYFEY-KSFYIVLOSA-N 430.553 2.143 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722337518 CMPADGQDJZXLDV-KRWDZBQOSA-N 443.573 2.457 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1722365778 FJQOXWJGYSVWHY-KRWDZBQOSA-N 433.603 2.434 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1722378106 PTEAWPVJWLQEHI-NRFANRHFSA-N 430.512 2.388 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCCC1 1722393839 IWDNZKGZVYTPBT-UHFFFAOYSA-N 443.555 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722395690 AIYVWRRIEDSLNB-RBBKRZOGSA-N 447.539 2.411 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ncccc2N(C)C)CC1 1722447466 IGGJNKSYPWMLDV-UHFFFAOYSA-N 435.576 2.411 30 10 IEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)CC1 1722486741 CKFIMROTKRZRKH-UHFFFAOYSA-N 444.337 2.094 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722580440 JWKWHKJBIOKNLE-LJQANCHMSA-N 430.597 2.417 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2COc3ccccc3O2)C1 1722708709 BYJNBCYTADUNIA-DLBZAZTESA-N 427.505 2.038 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1722737072 SBNMRUZCHSLVAT-UHFFFAOYSA-N 428.562 2.345 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722738717 OBEGGXMQCJYWJN-USXIJHARSA-N 426.608 2.103 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCc2cccc(C(N)=O)c2)CCOC1 1722863964 NNRWGWZQHGYDTJ-UZUQRXQVSA-N 440.548 2.256 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1 1722865359 GVDRDQWELNZYRT-SFHVURJKSA-N 434.552 2.393 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)c1nccs1 1723821735 DOOCCWTZQLOEEA-CQSZACIVSA-N 428.543 2.312 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1729204028 YHTKIQJGENTXCA-UHFFFAOYSA-N 439.545 2.154 30 10 IEEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1729233978 QAPQOJFFKPTINB-QTEAWJPNSA-N 431.562 2.217 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@H]1CCSC1 1729368919 CGKPCQPPPNJWFM-INIZCTEOSA-N 435.575 2.105 30 10 IEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)c(OC)c1OC 1730149530 DPISRCCAENJZMQ-CQSZACIVSA-N 430.509 2.086 30 10 IEEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740787202 CNUQEUXVTOTPLY-WOJBJXKFSA-N 427.549 2.364 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740817589 LHARVHXZUBZAFB-OALUTQOASA-N 449.987 2.200 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1740899488 CIZCRARJJOLSQB-IBGZPJMESA-N 433.578 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@H]1CCCOC1 1740992145 BKLUPRBAGDMOIC-GOSISDBHSA-N 436.553 2.472 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)N2CCOCC2)cs1 1742582480 QHGOCHCPPLSNDO-IERDGZPVSA-N 429.594 2.485 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1743259627 KFECGBWPHGLVKG-ITIGLASJSA-N 440.479 2.224 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C 1748345700 VSTYZGFSNDTQCZ-INIZCTEOSA-N 439.520 2.008 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1748863747 GEODRAUPLYMMBQ-OAHLLOKOSA-N 449.577 2.261 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1748950698 PECLZZSMHMZJMZ-IEZWGBDMSA-N 449.552 2.232 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccc(C)cc2)CC1 1748990200 VRVRZJXKNSJOGY-FPOVZHCZSA-N 441.601 2.048 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](COCCOC)C1 1749128358 UYGYOSPMMDPGAW-NSHGMRRFSA-N 430.553 2.149 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC[C@H]1C 1749221682 OQQMCCOEIYHGHL-YLJYHZDGSA-N 440.548 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)s2)C1 1749699083 ZEOQCWATQMCVFT-CHWSQXEVSA-N 445.998 2.433 30 10 IEEE COCCCn1c(Cc2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749723856 IFHVGIABWVNCGK-UHFFFAOYSA-N 448.575 2.454 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1ccccc1F 1750009829 YCQFJHFQHVPPHS-GVDBMIGSSA-N 433.484 2.337 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1750451346 GGUAFOLHMDVXLP-RBUKOAKNSA-N 438.532 2.470 30 10 IEEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760139960 VBRYUIQGPCBABA-UHFFFAOYSA-N 425.537 2.091 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760246241 NCSCCIKADZEBNG-QFIPXVFZSA-N 446.555 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1760270220 UTZPAQURJMTOMJ-NJDAHSKKSA-N 443.592 2.199 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccccc1 1760288409 BMFZZVLYKLQKON-XMSQKQJNSA-N 444.605 2.012 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1760321954 MCVCLLIGEFJLQZ-YRXWBPOGSA-N 438.594 2.167 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H]1C 1760325098 OXTGQHYYIAJHAE-BXWFABGCSA-N 431.562 2.476 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1760523799 IBNLBYHTSBAXBS-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1760529027 UMWLXGJPKAACCM-SFHVURJKSA-N 436.560 2.013 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1761266103 KHMWSDKQSKXLAT-XTQSDGFTSA-N 449.559 2.438 30 10 IEEE Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1761761996 XIJOYWONUAECBI-UDJKBAMHSA-N 440.504 2.377 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1764504853 FTQXWMRPSHGASV-FQEVSTJZSA-N 449.559 2.086 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1767234907 SPCAKXPHZRTTIL-QBNCKDSPSA-N 430.553 2.256 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1768119883 NRNCREFSKLVTQF-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1768700418 RZUBPQISYKGPPW-UHFFFAOYSA-N 430.472 2.096 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)NC(C)C 1770395869 DGGFAWDIDAUQSA-UHFFFAOYSA-N 446.577 2.412 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)NC2CC2)cc1 1771534412 ADHKFUWRTCKHLQ-JOCHJYFZSA-N 437.479 2.230 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCNS(C)(=O)=O 1772522792 SFVZEOOCRKJYQM-GOSISDBHSA-N 425.917 2.279 30 10 IEEE CN(CC(=O)NCC#CCN1CCOCC1)c1nc2c(C(F)(F)F)cccc2s1 1850340068 CKVYNVYKMNTTAQ-UHFFFAOYSA-N 426.464 2.203 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)CCn3nc(-c4ccccc4)ccc3=O)CC2)CC1 1850664274 ZMVRJOBWRYCIOI-UHFFFAOYSA-N 447.539 2.301 30 10 IEEE CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)C1=O 1851241091 MELZSHCESVITRK-NVXWUHKLSA-N 442.859 2.474 30 10 IEEE COCc1c(C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)nnn1-c1ccc(F)c(C)c1 1851386183 ZIGZEWAXBJVFPB-INIZCTEOSA-N 438.419 2.105 30 10 IEEE CC(C)Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cn1 1851987454 QQAPEXZTMKQGRR-PMACEKPBSA-N 432.532 2.171 30 10 IEEE Cn1ncc(C#N)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1851996250 WWCDAGPYURRUGV-CQSZACIVSA-N 427.408 2.102 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccn1 1852072520 FBYXCUAOLMYSIW-UHFFFAOYSA-N 434.566 2.086 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)CO2)nc1 1852466269 ITOVCCTXJXFUJI-DLBZAZTESA-N 426.860 2.319 30 10 IEEE CN(C)Cc1cc(=NC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)[nH][nH]1 1852530644 VTFRUGKUUNEREI-NRFANRHFSA-N 428.496 2.491 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)OCCN2CCOCC2=O)N2Cc3ccccc3C2=O)cc1 1852604171 SUKPGOVUNINFJJ-OAQYLSRUSA-N 433.464 2.047 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)Cc3ccc(Cl)s3)C2=O)C1 1854334997 AFGAFLWDYATHMR-INIZCTEOSA-N 430.917 2.491 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc(C)cc2)cc1 1858974566 QRBYEYSINAEQMO-UHFFFAOYSA-N 429.542 2.460 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cccc(OC)c2)cc1 1859011972 TZXLLVCIBAANOU-FMIVXFBMSA-N 442.493 2.115 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1870144126 OXDFCOSUUBCCQC-UHFFFAOYSA-N 430.424 2.162 30 10 IEEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C(N)=O)CC3)C2=O)cc1 1871394709 MLPIAWCUMIJZOP-NDENLUEZSA-N 436.464 2.492 30 10 IEEE COc1ccc(CCc2nnc(SCCO)n2/N=C/c2ccc(O)c(O)c2)cc1OC 1874221105 UQYGXBNHMWWXIJ-LPYMAVHISA-N 444.513 2.458 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccnc1 1874431143 KXUYSQGFMLIPBS-AUEPDCJTSA-N 427.465 2.061 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1985006666 GOAWGUFYZAZWFE-JYJNAYRXSA-N 427.542 2.190 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2023134658 QXEWYQWPCOAQOT-KSFYIVLOSA-N 439.553 2.171 30 10 IEEE C#CCCN1CC[C@H](NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 2024556011 CQPTYYBXXBZGPM-LEWJYISDSA-N 428.577 2.226 30 10 IEEE O=[N+]([O-])c1c(-n2nc(/C=N/O)c(I)c2C(F)(F)F)ccnc1O 2078976729 DPUXCYWKXQRANE-HQYXKAPLSA-N 443.079 2.313 30 10 IEEE C=CCC1(NS(=O)(=O)c2nc(C)n(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2118147379 GVKJIHRDSQBBBK-UHFFFAOYSA-N 449.371 2.335 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124540674 KGSPKUYKTYLHMC-XUWVNRHRSA-N 444.341 2.264 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904511 OUDORZGPSCODDR-OAGGEKHMSA-N 442.387 2.491 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2255651409 JFNTZYQJVKQLIA-GOEBONIOSA-N 431.342 2.332 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNOCc1ccccc1 2255930901 CAQOCMGKVWOBHI-UHFFFAOYSA-N 446.378 2.294 30 10 IEEE Cn1ncc(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267003039 JKQGQLPBKDHJLU-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267103763 MVVZMUUPKDDWJY-MRXNPFEDSA-N 446.353 2.352 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267178855 IEFNNKUFOLBUJN-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CCn1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267492339 AHGRFJHGVCSTCB-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)n1 2267504019 MFEBBYDYAYIWAF-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2267529130 XGWTYPUFEVIBLO-RCDICMHDSA-N 446.357 2.228 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267549679 OJOCZJNXWLNERV-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CC2 2267573041 DIQWFLHWVAHSCA-OAHLLOKOSA-N 444.341 2.048 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C 2296291759 RXYJBRWYMPLZIP-KURKYZTESA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)NCCS(=O)(=O)CCOc1cc(Br)cnc1C#N 2314289020 NURYCTJDPCBHEE-UHFFFAOYSA-N 434.312 2.034 30 10 IEEE CCOc1cc(C=NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1O 2323409797 NSCRLVUIIDEAAE-UHFFFAOYSA-N 425.419 2.029 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(OC)c2)c1 2328624313 NZDCVQFYRKOSNF-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(CCC#N)C3)cc2)n1 62040728 JWBWWHIXKCRFJV-KRWDZBQOSA-N 442.545 2.458 30 10 IEEE C=CCn1c(=C(C#N)S(=O)(=O)c2ccc(C)cc2)sc(=Cc2cccs2)c1=O 254488782 MEMKOFHXHTYWJW-UHFFFAOYSA-N 428.560 2.400 30 10 IEEE O=C(O)[C@H](CCS)NS(=O)(=O)c1ccc(Br)cc1Br 306023736 ZWCKFCLPYIMORF-QMMMGPOBSA-N 433.143 2.263 30 10 IEEE CCOC(=O)[C@@](C)(NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)cc1 430268337 JJGVLBIDSDXCMA-NRFANRHFSA-N 449.573 2.143 30 10 IEEE N#CC1(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CCN(Cc2ccccc2)CC1 479306228 JVAXQAWUKWGQFL-UHFFFAOYSA-N 445.523 2.426 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)C2=O)cc1 489238360 VNBBNWHERHHGCH-XLIONFOSSA-N 438.434 2.107 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CSCC(=O)N2CCCCC2)cc1 503691674 YKOGHVGRKWIFKL-KRWDZBQOSA-N 432.571 2.144 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 504378728 QYNNDPHRELNWAA-JOCHJYFZSA-N 435.524 2.330 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 505626798 XJLRVWFYLIVGGI-IAGOWNOFSA-N 439.516 2.215 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 505714973 ULSAUKIQZLDZDW-QGZVFWFLSA-N 430.534 2.074 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)CC1 512710023 LLYBGIGCYAKUAA-UHFFFAOYSA-N 447.539 2.282 30 10 IEEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccc3F)c2=O)CC1 522675792 UCCXCXHHHFPNKP-UHFFFAOYSA-N 425.529 2.188 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)Cc4ccccc4C)CC3)CC2)o1 525998540 GWPXTSSWWPBMHL-UHFFFAOYSA-N 435.528 2.293 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1Cc1ccccc1 539769733 MZEGNFIUXOMUHJ-UHFFFAOYSA-N 433.508 2.211 30 10 IEEE Cc1nccc(N2CCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)CC2)n1 544767170 IGWVGLFJSDHVEF-UHFFFAOYSA-N 447.499 2.470 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)n1 582194085 QORINPWOMMEMTP-OAQYLSRUSA-N 432.528 2.019 30 10 IEEE N#Cc1cc2c(nc1N1CCN(CCn3nc4c(cc3=O)CSCC4)CC1)CCCC2 585587981 CGGDGAIUQCAELC-UHFFFAOYSA-N 436.585 2.000 30 10 IEEE COc1ccc(/C=C\C(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1OC 606444122 NEELBILQZMAYCY-NQIPFMNASA-N 436.508 2.398 30 10 IEEE CC(C)[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)N1CCCC1 611890518 FHXAVFJTZPJSPS-SFHVURJKSA-N 442.907 2.099 30 10 IEEE N#C[C@H](C(=O)c1ccc(-n2cncn2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 614438638 JKBUNSBOKUHQAB-HXUWFJFHSA-N 440.467 2.175 30 10 IEEE CS(=O)(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 619818572 AXCBVXHVGHILLK-FQEVSTJZSA-N 436.541 2.383 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCC[C@H]1[C@@H](O)C(F)(F)F 677833698 CUOMMXVGBDCXSS-QUBYGPBYSA-N 425.276 2.360 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)C)c1 730137123 DKFAHXRGBISGTA-GOSISDBHSA-N 433.578 2.300 30 10 IEEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730143620 VACBCQRIQMGENO-MOPGFXCFSA-N 432.590 2.482 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1OC 736273213 XQDWJBUXCIBBFO-CVEARBPZSA-N 426.535 2.259 30 10 IEEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 744439445 CFQMNBNBMOZFDM-UHFFFAOYSA-N 441.536 2.280 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCOc2ncccc2F)c1 747248170 HDWCEYMKPVESGN-ULJHMMPZSA-N 435.481 2.234 30 10 IEEE Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCOC1 751653745 IHHRPPMJKVUNSM-YOEHRIQHSA-N 438.981 2.437 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2cc(C)cc(C)c2)sc(=Cc2cnn3ccccc23)c1=O 758050264 PMRHSIKZZZBNOB-UHFFFAOYSA-N 438.512 2.194 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)[C@H](C#N)C1 758315543 DHLUNPMFSIEPHK-IEBWSBKVSA-N 441.532 2.349 30 10 IEEE CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 759838069 WBIHHTIJGCRAGJ-UHFFFAOYSA-N 437.525 2.351 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1C 765545642 RYRXEAJBFNBNIJ-IBGZPJMESA-N 442.589 2.237 30 10 IEEE Cc1ccccc1Cc1nc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 767678669 GLDPHLBJIQXELY-HNNXBMFYSA-N 440.481 2.251 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)c(-c2cccs2)n1 769636688 FZGGLGQBORITTA-UHFFFAOYSA-N 429.530 2.447 30 10 IEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccnc(OC(F)F)c2)C1=O 790016407 KKGSAHYQINKZNH-XXQDRHBBSA-N 449.483 2.257 30 10 IEEE COC(=O)c1csc(-c2cccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)n1 790625847 XBGDOHGLYTXBFQ-KRWDZBQOSA-N 425.514 2.478 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCSC2)C1=O 794441129 OWDJNBIRHQSZMY-WBVHZDCISA-N 431.587 2.063 30 10 IEEE CCOc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOC)cc1OC 802515977 UIPKQZYHTHNRQG-SFHVURJKSA-N 426.521 2.175 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c1 808122957 LGKGBLJVDSUSDE-AWEZNQCLSA-N 442.497 2.156 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C)C1CC1 814702494 SMQVXBNEYCENTE-RTBURBONSA-N 432.590 2.419 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)C2)n1 856675907 DIODZJSMZABYFN-HJPURHCSSA-N 432.484 2.239 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)NC3CCCCC3)n[nH]2)cc([N+](=O)[O-])c1O 1083958163 VUNAHSYXOWBGBB-UHFFFAOYSA-N 449.493 2.414 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccco3)n[nH]2)cc(OC)c1OC 1084120555 SZPJUUXXPSSIKE-UHFFFAOYSA-N 446.489 2.278 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cncc(N3CCCC3=O)c2)cc1 1125136929 KLTAUIIJCKOFJJ-CLCOLTQESA-N 441.513 2.274 30 10 IEEE C=CCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)[C@@H]1CCS(=O)(=O)C1 1125954189 RCOZGPSMAMKKGI-MRXNPFEDSA-N 442.493 2.200 30 10 IEEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(I)cn1 1130952153 HDYSGHTURQNBPX-UHFFFAOYSA-N 430.209 2.450 30 10 IEEE Cc1nc2cc(O)nn2c(C)c1CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1136754305 OPYOYXLSNIIOPN-UHFFFAOYSA-N 427.505 2.318 30 10 IEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)C(=O)OC 1141998857 WGGCRAUMHDJRIP-INIZCTEOSA-N 436.873 2.141 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN(C)c1ccccn1 1153114135 QTHUHHUNLRWLFB-SFHVURJKSA-N 443.573 2.178 30 10 IEEE Cn1nccc1[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1179371988 RWRHLDLWYGWZJF-SFHVURJKSA-N 430.306 2.091 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1192948120 VPYNDTQCJPWRDG-PMACEKPBSA-N 438.494 2.333 30 10 IEEE CCN1CCN(CC(C)(C)NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1212195987 DCEVFMDEMFUXBG-UHFFFAOYSA-N 429.384 2.015 30 10 IEEE CCc1noc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)n1 1264723891 ALYDMKTXSWKRFB-HKOYGPOVSA-N 449.533 2.380 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1286379270 MAXYDRFWPPIWPF-KRWDZBQOSA-N 425.533 2.366 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1286447054 IMOFOQSDRBWDHS-SFHVURJKSA-N 446.573 2.290 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCC1 1286467879 VWNIPOXQPOODEA-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1286668540 ZYKHAVMKZBTOCN-UHFFFAOYSA-N 426.569 2.444 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C)C1CC1 1286731706 UMRHHGRKETYUJC-UHFFFAOYSA-N 430.940 2.495 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286784835 VKFIHMYENANPLX-PONJGIIJSA-N 429.496 2.159 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1286827669 WPCYROQFONCOQB-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1287067415 OUJJAGRPXMFXHK-SFHVURJKSA-N 441.536 2.298 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1287605447 JSXVNOAIZXJMKL-UHFFFAOYSA-N 444.536 2.313 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)s1 1290679184 SDTVXYJHQREWGA-CQSZACIVSA-N 436.545 2.276 30 10 IEEE N#Cc1c[nH]c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)ccc12 1295970510 IJWMIPDSUMSFLN-UHFFFAOYSA-N 426.454 2.018 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)o1 1297777594 NEEDLTMJJFXNLA-UHFFFAOYSA-N 428.518 2.294 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1300409276 GVKHUEBCEPZKCX-RBUKOAKNSA-N 430.578 2.248 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1300529650 OQNBTDJYUJJREV-SFHVURJKSA-N 429.528 2.328 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCn2cc(Br)cn2)CC1 1300690283 GDCKKKOBQUAMJM-UHFFFAOYSA-N 444.337 2.261 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300892955 WRVHWCNJSLNOLA-VCOUNFBDSA-N 441.580 2.178 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1300972983 STPDMKUWLIMDAP-IEZWGBDMSA-N 449.577 2.423 30 10 IEEE C=C(C)COCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1301001932 PZRXEXOXYPINJT-PWHSHALESA-N 447.580 2.159 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301190468 TVMNQLXPVWJYGN-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1301198732 BSTYXEQLXXJAGQ-WJOKGBTCSA-N 441.557 2.423 30 10 IEEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1301279075 VILLWPHJUNMVOR-XOBRGWDASA-N 436.603 2.303 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cnn(C)c1 1301596026 FPUHNGSUHNIDKW-UHFFFAOYSA-N 430.538 2.020 30 10 IEEE C#CCN1CCN(C(=O)Cc2ccc(I)c(Br)c2)CC1 1302088277 NBWSQNGABAXBSN-UHFFFAOYSA-N 447.114 2.374 30 10 IEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1302790036 WMGGHBMFKZSBRY-OFNKIYASSA-N 441.532 2.395 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1303699880 MMNVSPLAQDVANC-SFHVURJKSA-N 441.543 2.360 30 10 IEEE Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C)c1 1304332374 FWYCIKUCMFOMHG-UZLBHIALSA-N 434.541 2.190 30 10 IEEE Cn1ccnc1[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 1304784162 QYZDCFYYHLGTKW-HXUWFJFHSA-N 444.463 2.391 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOCCCO)C[C@H]1c1ccccc1 1316540209 ZQFRNIBFZMHUED-NJYVYQBISA-N 425.533 2.315 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1358871158 AMOCNMCKVKLSBR-QWHCGFSZSA-N 427.933 2.381 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1358871736 JNXHOKIGSCPOPC-QWHCGFSZSA-N 443.932 2.218 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1358896684 JTAHZFORONAEJI-INIZCTEOSA-N 428.562 2.130 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1358955641 QJCYVRGLHUYWCZ-OAHLLOKOSA-N 439.488 2.073 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1359034753 BSVOHJGGDWKXMK-LJQANCHMSA-N 438.532 2.154 30 10 IEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 1359152688 FUGXRZPMFHEFDA-UHFFFAOYSA-N 433.940 2.361 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359168007 DVXJWSKYHYKQDC-SFHVURJKSA-N 427.530 2.320 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359243394 PZOFIVWWWSQJPW-SFHVURJKSA-N 425.512 2.245 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 1359301509 ALFOVMZZHKXHRR-UHFFFAOYSA-N 444.967 2.306 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1359328143 UWNAZSRFJSNPLB-HNNXBMFYSA-N 433.534 2.341 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CO)CC1 1359335387 KGHLATUYKIUATK-UHFFFAOYSA-N 448.589 2.283 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C1CCOCC1 1437878080 QXXPFINMCWNBRT-FQEVSTJZSA-N 434.558 2.418 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@@H]1C(F)(F)F 1460752447 SZKFZUKFMLNSAI-OCCSQVGLSA-N 440.426 2.442 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)s1 1468305305 GIDGZIMTWZGFGG-QWHCGFSZSA-N 431.580 2.173 30 10 IEEE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)cc1 1469730781 YUQCXFVAHZXHNU-JTDSTZFVSA-N 429.521 2.332 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1 1471398519 OCKMMDCZANKWSZ-UHFFFAOYSA-N 431.495 2.477 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1476224732 OCHQORPXLMAUEL-UHFFFAOYSA-N 439.440 2.167 30 10 IEEE COc1cc(CCCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc(OC)c1O 1479047456 FRNMHMNXLHFRMI-UHFFFAOYSA-N 425.489 2.140 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1496372655 CVGRHHPTYOXCET-UGKGYDQZSA-N 443.573 2.110 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 1505313993 OMDUHFAGOJQKHP-DOTOQJQBSA-N 430.459 2.333 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)COC)c1 1507549691 LGJBWVBAWUXYGX-UHFFFAOYSA-N 433.516 2.464 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507564941 ZOPRHPZGILBSIG-QZTJIDSGSA-N 449.621 2.115 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1507623193 PNNVJBQVXUSBAM-IRXDYDNUSA-N 428.558 2.379 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507632266 KIAKEOAJZWXFLO-DLBZAZTESA-N 449.602 2.268 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507634744 PSZFMQVDYIOQAZ-HXUWFJFHSA-N 444.601 2.355 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(C)CN(C)C1=O 1507711055 ZKOVUCCPZFQINH-HSZRJFAPSA-N 434.500 2.164 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1507738827 ZVTRWARWUVUONM-UHFFFAOYSA-N 448.571 2.309 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1507845909 SUKBKGATCSYWGO-UHFFFAOYSA-N 430.528 2.333 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@@H]1CCCCO1 1508073843 PKYJHCAJUGRPOV-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1508087434 QXSXTZSUBSUIGY-IBGZPJMESA-N 425.464 2.481 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](C)[C@H](OC)C1 1508136405 FYTFVOISXQAZTD-QFBILLFUSA-N 434.562 2.416 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1509004892 TZLJKPJXALYIIC-UHFFFAOYSA-N 430.516 2.142 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)cc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1519185164 RKMMPJKUMQFZPL-UXHICEINSA-N 428.558 2.449 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1523436725 ZLPLDBAFXJZSIF-ZBFHGGJFSA-N 446.363 2.422 30 10 IEEE Cc1cc(C#N)cc(NC(=O)c2cc(I)ccc2-n2cnnn2)n1 1526861212 ZSMMCWJZWIAEPV-UHFFFAOYSA-N 431.197 2.094 30 10 IEEE C#CC[C@@]1(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CCCN1C(=O)OC(C)(C)C 1528352641 YXRKUINNXHATCG-IBGZPJMESA-N 439.559 2.346 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cncc(N3CCCC3=O)c2)c1 1534106061 NRRAVKIFWYBKOU-LYBHJNIJSA-N 441.513 2.274 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1539206567 RKFURJTVYWHSQY-CYBMUJFWSA-N 426.340 2.072 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1539210367 DHVJTIYAMLOJAZ-IBGZPJMESA-N 428.558 2.389 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1539220828 MDNOMKSEGGOHFJ-ROUUACIJSA-N 434.587 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 1539231557 TTYSYZMXNMOVIR-UHFFFAOYSA-N 446.433 2.080 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)nn1C 1539400597 IJLLJGGYFKYWEL-UHFFFAOYSA-N 446.353 2.222 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N(C)C)CCSC1 1539405920 PYHFFCOYFOEUCL-JOCHJYFZSA-N 429.590 2.477 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCOC[C@H]2C)n1 1539424135 LXTUUFMGLPDAOQ-CTNGQTDRSA-N 449.559 2.495 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1539451980 HOVOWFASSWUPME-UHFFFAOYSA-N 438.576 2.233 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCC(=O)N(CC)CC)CC1 1539453943 DLTGQIGVWIKKIT-UHFFFAOYSA-N 428.606 2.334 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1539526436 JSYCYZYNBRQFOI-UHFFFAOYSA-N 431.537 2.421 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1539644378 OJOWUENZMLUKMJ-XMSQKQJNSA-N 431.581 2.463 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540004676 DNYCYEUMBCMLMR-IIBYNOLFSA-N 434.537 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C(=O)OC)C1 1540864977 QPXLXBXRGWGBEA-LSDHHAIUSA-N 443.573 2.433 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)[C@@H](CC)C1 1540867617 BKTKMJYOJGQYPT-KRWDZBQOSA-N 446.983 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1540899359 LLVCQFDLKSWZCG-INIZCTEOSA-N 429.546 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1540901329 ZZLYKSVILYZIOT-GDLZYMKVSA-N 447.586 2.248 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCS(=O)(=O)C1 1541111121 FQNUUIWKRWDJJE-SJORKVTESA-N 439.545 2.161 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccnc1OCC(F)F 1543310607 CKZWRADMLDZLQZ-UHFFFAOYSA-N 440.458 2.267 30 10 IEEE CC(C)N1CCC(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1543362800 SMTJRXVBWSUEDE-FQEVSTJZSA-N 425.533 2.390 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCOCC(F)F 1544577052 XWMAQMJGVOCCQH-HNNXBMFYSA-N 448.474 2.067 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)CC2=O)cc1 1557044777 KGUJIDPIUGEHNS-NRFANRHFSA-N 432.524 2.054 30 10 IEEE N#CCc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3CNS(N)(=O)=O)cc2)cc1 1569041167 BVJLDMDZFQZGQX-SFHVURJKSA-N 428.514 2.333 30 10 IEEE Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)ncc1C#N 1585712811 VKMPQIGPGWKINW-MRXNPFEDSA-N 446.248 2.180 30 10 IEEE N#CCCN(C(=O)CCC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 1587528384 DFMKKLHUAKUFTG-UHFFFAOYSA-N 436.468 2.240 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1587614557 KOUBIAZKCVCWRN-QGZVFWFLSA-N 429.594 2.182 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1587898273 MPXIFEUECRTGLV-UHFFFAOYSA-N 429.834 2.038 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CC=CCC1 1587975161 PWZRYBMEAWOFLC-UHFFFAOYSA-N 431.544 2.396 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCSC2)n1 1588722956 IPBRDHVRINWOME-OALUTQOASA-N 444.605 2.408 30 10 IEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1593782099 GMYFJYXJRVKBCA-UYAOXDASSA-N 440.548 2.272 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@H](C)C2)CC1 1594192518 KCORXBKQBTXLER-RYRKJORJSA-N 425.599 2.496 30 10 IEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594766879 HNODIEDEEJZBSU-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1594961585 CLVXIBGIGXDRAS-KSSFIOAISA-N 444.479 2.253 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1595570954 FNQOBLOIHXAQBL-UHFFFAOYSA-N 443.525 2.496 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCSC2)CCOC1 1610430960 MSTURBGSBWXCNF-NHCUHLMSSA-N 435.594 2.317 30 10 IEEE C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1611256989 SSYRSPSBWQAELS-NYAYQYMKSA-N 426.477 2.099 30 10 IEEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C1(c2ccc(C#N)cc2)CCCC1 1611482569 XAGCXNDYNOSENM-UHFFFAOYSA-N 432.524 2.261 30 10 IEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1)c1cccs1 1611721786 IBKAJKFKBZBBPA-HXUWFJFHSA-N 427.555 2.355 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1618952266 FJUHCQJYYKKIHF-XMSQKQJNSA-N 426.496 2.214 30 10 IEEE CO[C@H](CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1618958937 NBDFYFWQSNSWGG-DLBZAZTESA-N 435.454 2.484 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1(C)C 1619533872 JGGFOJOLFPIYJU-AUSIDOKSSA-N 441.532 2.395 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccccc1)N(C)C 1620111040 IOOLQLUIVIZULR-TUFLPTIASA-N 440.548 2.034 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)CC2CC2)C1 1620347698 AKATUGNSNFQONZ-NRFANRHFSA-N 431.537 2.330 30 10 IEEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1626745244 VNSAHSHOOGGWRJ-UHFFFAOYSA-N 429.533 2.332 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1627790681 QQWAVWRDLWOIMX-YJBOKZPZSA-N 430.505 2.101 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)c1 1630383569 SOCHNZTYFMRAIC-CYBMUJFWSA-N 435.527 2.138 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cc2c(s1)CCCC2 1636436945 HLVQWCWTGWFGDA-UHFFFAOYSA-N 445.566 2.445 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)CC1 1636479458 BOMYYHJZKYUQNW-GOSISDBHSA-N 427.526 2.052 30 10 IEEE C#CCN(C(=O)NCc1nnnn1-c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1636878899 WKZFMEQNFJXIAM-UHFFFAOYSA-N 439.520 2.207 30 10 IEEE CCOC(=O)[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1636913780 HXZFMXFVQAAOPO-MOPGFXCFSA-N 443.500 2.183 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)c1 1637337320 FKFKCKSUGIWJKQ-WOJBJXKFSA-N 428.510 2.180 30 10 IEEE C=CCC1(O)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)C1 1638018978 PLNSOPGTSZEPDP-UHFFFAOYSA-N 444.509 2.412 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)C1 1638074584 HSKXGABCYFWBBO-GOSISDBHSA-N 436.541 2.287 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)s1 1638842669 WARIYOQZUQISSN-WBVHZDCISA-N 442.584 2.206 30 10 IEEE C[C@@H]1COCCN1C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1641758662 SFWBLCOCVVICCC-OAHLLOKOSA-N 447.377 2.469 30 10 IEEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 1642054765 XDNBYQJVSZIVTK-GOSISDBHSA-N 443.573 2.482 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 1643335979 AWRIOTIKSPBMFK-UPRAQXHNSA-N 433.917 2.213 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)C1 1644588851 INKAKRBFMNHJJI-WBVHZDCISA-N 442.375 2.192 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)CC1 1644676444 BKNCAZWVLRKPKG-MRXNPFEDSA-N 426.487 2.300 30 10 IEEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1648402801 GMVOZGJHNXYKTL-FASAQXTFSA-N 427.482 2.140 30 10 IEEE CN(CCc1cccc(C#N)c1)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 1655381267 LVWXWYIJLJMMOL-DEOSSOPVSA-N 433.512 2.007 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1)C1CCOCC1 1656100151 XYQVUFQAJHIUJA-MRXNPFEDSA-N 430.320 2.333 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)nn1 1663556539 YVJHAWZJMKFHHB-SFHVURJKSA-N 437.953 2.232 30 10 IEEE C#CCC1(O)CCN(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1681313460 JFHLTZMDKCNYHL-GOSISDBHSA-N 447.601 2.175 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)C1 1684083520 WBFSTTXAALYYHF-WOJBJXKFSA-N 427.549 2.483 30 10 IEEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)NCC(F)(F)c1cc(F)cc(F)c1 1684940327 OWGYRSFGZVPILK-UHFFFAOYSA-N 442.291 2.381 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689888425 IPXPKLKETTUHMS-MSOLQXFVSA-N 428.537 2.090 30 10 IEEE C#CCCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1689906620 PJYSANMMMPHXLZ-RXVVDRJESA-N 438.594 2.137 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1689935961 ZADZTVGWMHAGFD-FQEVSTJZSA-N 446.559 2.399 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1689979989 JZPOOSSIYDUICH-ZBFHGGJFSA-N 437.591 2.070 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC[C@H](C(F)F)N1CCOCC1 1690011446 OWFLCAGZPWKRLS-LJQANCHMSA-N 443.498 2.383 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690099663 GXYFIDFTRMYTOY-HSZRJFAPSA-N 446.555 2.327 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](F)COC)CC1 1690117541 KYXMWXXHGSCYQD-LJQANCHMSA-N 445.539 2.481 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)CN2CCCC2)CC1 1690146145 GYVZNLQWSLSKAU-FPOVZHCZSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccccc2)N(C)C)CC1 1690152550 PEGXCEHHAGNJMZ-OAQYLSRUSA-N 438.576 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(=O)NC1CC1 1690195917 RMDHGFBXMZWDQY-DHIUTWEWSA-N 429.565 2.370 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 1690442017 KWIOLPGVBWEWPQ-DVECYGJZSA-N 436.560 2.493 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1690470424 BDJJKVLUVUJKDF-KSZLIROESA-N 425.599 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCOCC2)C1 1690712644 ZSXLNYRQUQVUCJ-KRWDZBQOSA-N 431.562 2.478 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1690997240 GTFMJHFMQVGIOO-CVEARBPZSA-N 445.545 2.137 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1692813732 QYDMSIGENNQTPJ-ZQIUZPCESA-N 443.483 2.284 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C1CCCCC1 1694733501 FVUWKXXVQQHCSK-UHFFFAOYSA-N 436.564 2.225 30 10 IEEE COC1(C(F)(F)Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1697189945 HMNAKOCZCYDKGZ-QGZVFWFLSA-N 437.426 2.008 30 10 IEEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1698016077 XGNJWGIPLROOOG-GOSISDBHSA-N 434.491 2.255 30 10 IEEE COCCOc1ncccc1Cn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1698187447 CIGCYCDBIDAUCM-UHFFFAOYSA-N 447.543 2.249 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1705489327 NELLDKTXCJCSFE-YFUCQSNDSA-N 443.511 2.421 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCNC(=O)C(C)C)c1 1705504589 BEIYGMCLVUQYFS-UHFFFAOYSA-N 447.543 2.112 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1705566577 OHGPXTIUMMWGJJ-IRXDYDNUSA-N 440.635 2.331 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1705675321 KKLGDZDXDRJMPR-MHECFPHRSA-N 439.535 2.495 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705725334 UWDIUTSCSDUDDW-IBGZPJMESA-N 444.580 2.036 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1705792726 YSGNRABYYJWLIN-GOSISDBHSA-N 447.609 2.291 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1705814073 CFFJOKMHLZHHOI-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705893320 BZPGRAYBOXHODT-XMMPIXPASA-N 446.640 2.500 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1705905803 HOCDNQYTWFXUJX-QFIPXVFZSA-N 446.555 2.404 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705906071 RANHDNQDSVPCLH-SFHVURJKSA-N 440.577 2.282 30 10 IEEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1706414273 IXTIKQXZLRKHID-UHFFFAOYSA-N 434.552 2.142 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C 1706749816 DSOMURWIWJWZFP-MRXNPFEDSA-N 443.577 2.468 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C2CCCCC2)cs1 1707761034 DBKIUOOQJLDPJA-SFHVURJKSA-N 443.577 2.154 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1708719023 FIWQKUKNAPIASK-HDICACEKSA-N 445.612 2.436 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)OC 1708808360 GVFMYEXARYAGDS-WOJBJXKFSA-N 440.548 2.458 30 10 IEEE CCC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1709471205 CMCQQAKDZSDPIV-IIBYNOLFSA-N 431.562 2.239 30 10 IEEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCC1 1710785063 HJVOOUYNQANDNO-INIZCTEOSA-N 438.598 2.225 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC(N)=O 1722694197 NUMMHZFNXWIMBC-CQSZACIVSA-N 430.578 2.278 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCOC 1722695185 WKKCFEYYHHUQNF-UHFFFAOYSA-N 438.326 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)CCOC 1722723741 DGZLXFXBTWFFBX-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1730804925 AVRJBEUMMFEIGL-DLBZAZTESA-N 449.515 2.221 30 10 IEEE CON(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1730962910 FSGWEHHHVURWJA-ZWKOTPCHSA-N 430.534 2.019 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1740618825 CFUVNXJLHINEQY-IBGZPJMESA-N 435.509 2.393 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCCS1(=O)=O 1740649048 MWRVMRPDDWCYSJ-NRFANRHFSA-N 439.585 2.318 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740756330 GTIYKLREWBGZPJ-QRQLOZEOSA-N 443.552 2.375 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740884671 IJZDKRJLXMQBQV-UHFFFAOYSA-N 431.541 2.186 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1741143123 QAWWSFWLAWKOJR-JKSUJKDBSA-N 429.546 2.421 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1741274411 MVTXLRFSIRDNCI-HXUWFJFHSA-N 449.559 2.084 30 10 IEEE CC1=C(C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1742039366 SQTVINVNBAPGKD-QURGRASLSA-N 433.516 2.337 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1744688838 FZKZFHYEZJEHPM-OXJNMPFZSA-N 428.512 2.229 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804941 MPYQTWDHPVSTIP-PWRODBHTSA-N 428.558 2.381 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(C)c1 1748892716 VZYYIMYKRKDJPP-PMACEKPBSA-N 440.569 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(C(F)(F)F)c1 1748901055 PYOUNKJFMMNYJV-UHFFFAOYSA-N 430.434 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC)N2CCCC2)CC1 1749010155 OKXACMHEVKJMQB-RTWAWAEBSA-N 442.608 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC)OC)CC1 1749017041 UDDBOFPCCZFXRM-SFHVURJKSA-N 430.578 2.025 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749024314 MLJDXZQZAMBMQW-NQIIRXRSSA-N 441.601 2.477 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1749067610 VNHISABXSMDMFY-OXJNMPFZSA-N 449.602 2.021 30 10 IEEE COCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749285951 FSLIQDXTELYUEP-GOSISDBHSA-N 429.594 2.483 30 10 IEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1749387185 TTYBAJXSFWGFPS-IRXDYDNUSA-N 437.610 2.278 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749667459 ZBCYQFOZFFXPSA-GOSISDBHSA-N 446.577 2.009 30 10 IEEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1749939920 YODYXPHWHRFBMM-YVHKJVDXSA-N 445.520 2.289 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCCCC1 1760198759 HZJQLEXROUOHQS-UHFFFAOYSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)O 1760216460 OFWPSBMUPOWVPU-UHFFFAOYSA-N 432.528 2.470 30 10 IEEE C#CCN(CC)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1760230942 HVHCBKZBUSXCNU-UHFFFAOYSA-N 431.544 2.092 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760291654 XJEDAFVZYUFDCD-XMMPIXPASA-N 446.511 2.102 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCOC)CC1 1760314143 SZCIABNTXPAPQY-QUCCMNQESA-N 447.580 2.127 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760383046 FVNNBIMDFUBZFY-JOCHJYFZSA-N 426.521 2.488 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1760455625 UNMNPIOOKBXMLP-OAQYLSRUSA-N 434.562 2.199 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1760480702 CIVFQTQUCWXPNV-LJQANCHMSA-N 431.562 2.214 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760512138 HSSQKQHLIKLOAU-KRWDZBQOSA-N 427.484 2.126 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCCC[C@@H]2C1 1760526335 LCXRJVUWJTYHKI-HXUWFJFHSA-N 438.576 2.451 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)COC)CC2)nnc1C(C)(C)C 1760533539 IFKBFFDIZVGBHH-UHFFFAOYSA-N 427.549 2.484 30 10 IEEE C=CCSCCn1c(CC2CC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760567881 PIRFUNQDHQDOJM-UHFFFAOYSA-N 432.638 2.284 30 10 IEEE CC(=O)Nc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)cn1 1760628281 PPGQSECSOJODLH-ZDUSSCGKSA-N 436.476 2.146 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CCCO1 1760690744 FQGWKNAPQZIINM-QRWLVFNGSA-N 431.566 2.403 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1761283137 IJJLBSOHUSXNRP-MSOLQXFVSA-N 448.465 2.255 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CCN1CC(F)(F)F 1763081304 DUOATXUONYAJBY-HNNXBMFYSA-N 445.453 2.181 30 10 IEEE CCCN(CCC)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1764355910 WJYLWDQQBNIQHQ-KRWDZBQOSA-N 443.552 2.247 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(Cl)c(OC)c2)CCOC1 1765924648 WZAYIQSZBAPZSF-IIBYNOLFSA-N 447.923 2.369 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCC1 1767087669 DSCCCLSEHIEXEC-UHFFFAOYSA-N 437.529 2.210 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC(C)C 1767942694 KFWDLIKLNLPSFK-QGZVFWFLSA-N 428.541 2.006 30 10 IEEE CN(CCC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1768871044 ASEQDVMEAXGXPA-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE COCCCN(C)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1769704588 IKOPWPZRTXACBU-UHFFFAOYSA-N 427.553 2.079 30 10 IEEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1771233163 RTZCPUGZVWNTOQ-WIYYLYMNSA-N 433.553 2.472 30 10 IEEE CSc1cccc(F)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1771425850 GZEFZGHTPONPET-CHWSQXEVSA-N 440.570 2.393 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC(=O)NCC(F)F)cc1 1771532446 AMEGKJUPVJWRSD-UHFFFAOYSA-N 432.475 2.187 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1850804614 NQOTYIDEGBPGMA-QGZVFWFLSA-N 431.480 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)OCc2ccc(F)c(C#N)c2)CC1 1852102061 PDJRGZTYYUINNA-DLBZAZTESA-N 431.464 2.456 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(CCc4ccc(Cl)cc4)C3)CO2)nc1 1852465122 OPIPWPJYGWVNKG-PKOBYXMFSA-N 440.887 2.361 30 10 IEEE C=CCC1(S(=O)(=O)N2CCC(N[C@@H]3CCN(c4nc(O)cc(C(C)C)n4)C3)CC2)CC1 1853599529 SAJOAJHBKRIWLE-GOSISDBHSA-N 449.621 2.377 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)C4CC=CC4)C3)CC2)cc1 1855647670 AFIRJPDOVWNUKW-LJQANCHMSA-N 427.526 2.300 30 10 IEEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCc4cc(F)ccc4C3)ccc21 1856521019 FFBZPEXHPPTZSG-UHFFFAOYSA-N 427.457 2.292 30 10 IEEE C[C@H]1CCc2c(sc(NC(=O)COc3cn(C[C@@H](C)O)c(C(=O)O)cc3=O)c2C#N)C1 1857886950 LATCZODWHJSYSL-NWDGAFQWSA-N 445.497 2.003 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(CCC)nn2C 1864320762 ZLYWQZDLAYRUIV-IBGZPJMESA-N 439.560 2.310 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc2c(c1)OCCO2 1864441721 FBAPETKCKIORJA-HXUWFJFHSA-N 445.479 2.344 30 10 IEEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874353857 FQPBINQVULOZIW-FOKLQQMPSA-N 439.497 2.226 30 10 IEEE O=S(=O)(NCC#CCN1CCOCC1)c1ccc(Br)cc1C(F)(F)F 1890177678 AXMDYXDPFNBKTO-UHFFFAOYSA-N 441.269 2.082 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)CC1 1890179930 NNDKUFXXDHROHK-HXUWFJFHSA-N 431.552 2.242 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 1992858204 ZBRROQDIZYGVLT-XHSDSOJGSA-N 427.542 2.190 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1993678790 LRDZEJNZWWWVGH-OWCLPIDISA-N 427.542 2.332 30 10 IEEE COC(=O)[C@@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2124541642 VCLBIGIXVOIXKI-MRXNPFEDSA-N 448.325 2.381 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCOCC1 2141678293 NINPMNIPVDRJQB-UHFFFAOYSA-N 447.341 2.393 30 10 IEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)cc2C1 2232314817 YGUOFYXMNLCEAY-UHFFFAOYSA-N 441.341 2.494 30 10 IEEE C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2243685691 ZYCQERAPGYHIQP-LBPRGKRZSA-N 425.360 2.486 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@@H]2C1 2247832429 PCUXALPYGNKDBK-VXGBXAGGSA-N 435.355 2.037 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247836181 XYDPBRKKOHGGIY-AWEZNQCLSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247908544 WIKGZKDEYQBMTB-CYBMUJFWSA-N 435.355 2.348 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255819917 ITVJQXVEQOGLBI-CQSZACIVSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826005 JCIZQTMSKWHYOW-UKRRQHHQSA-N 434.346 2.132 30 10 IEEE Cc1ccnc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255828477 DTVTUWZAANJWPD-UHFFFAOYSA-N 431.342 2.381 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255943606 XRGLLRBNTBUSJT-UHFFFAOYSA-N 432.326 2.383 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CC(OCc4ccccc4)C3)c(O)cc2O)OC1(C)C 2256016158 DFKNNPLOOSNBRI-UHFFFAOYSA-N 425.290 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256023859 UFCCJKZFIXWCPG-QFIPXVFZSA-N 433.358 2.352 30 10 IEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)F)ncc1B1OC(C)(C)C(C)(C)O1 2256681507 MFUICLASZGLPRC-BXUZGUMPSA-N 438.309 2.274 30 10 IEEE CC1(C)OB(c2cc(F)c(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2267004075 YUYJNRMJOOWPMZ-UHFFFAOYSA-N 448.197 2.015 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)OC1(C)C 2267140186 AXVAUZDBBCFTPJ-OALUTQOASA-N 436.365 2.303 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267185103 QNLPMRCRCZLPHG-SFHVURJKSA-N 438.381 2.313 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185461 VOGDGBQMYQSKKU-HUUCEWRRSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267268320 SQCSKTILIBDWQO-CABCVRRESA-N 446.357 2.199 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2267522227 VQCCNPLYQQNFQK-CABCVRRESA-N 448.373 2.332 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(Cc2ccccc2)C1 2267546722 AQTSPXRXYHBBCV-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2267592219 KTJSCYWWIZVSPP-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)COC1 2268712702 TYLNRRFLRQJPMN-UHFFFAOYSA-N 444.337 2.169 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268715001 FGZMPCHCWQAUTG-INIZCTEOSA-N 446.353 2.008 30 10 IEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@@H]2C2OCCO2)OC1(C)C 2282882231 IRLAHFYZZBSUST-OAHLLOKOSA-N 443.396 2.105 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)cc1OC 2296935988 SPZRAXXXIHUDLE-FQEVSTJZSA-N 442.468 2.051 30 10 IEEE O=C(O)COc1ccccc1C=C1SC(=Nc2cc(C(=O)O)cc(C(=O)O)c2)NC1=O 2314927078 YUDGGMUHDAFVGB-UHFFFAOYSA-N 442.405 2.438 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2317236195 KWOJTULLKKGKAE-UHFFFAOYSA-N 438.305 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319680988 VSHKHHGHDCAHGP-SZNDQCEHSA-N 439.362 2.230 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2337195340 XJVZPWUQVILYJX-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)c1C 59829830 FQFYWYUEINFDDN-SSDVNMTOSA-N 439.549 2.476 30 10 IEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)cc1 102743644 ZULSJJIJRIHOCA-HQMFNGAOSA-N 440.500 2.187 30 10 IEEE CCN1CCC[C@@H]1C/N=C(/NCCc1ccccn1)[C@H](C#N)C(=O)Nc1nccs1 225504061 CHMJCHDVOQOWDE-MSOLQXFVSA-N 425.562 2.331 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(Oc3ccccc3F)c2)CC1 426843539 QULBTCCFJJOBPN-UHFFFAOYSA-N 427.480 2.142 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 460954021 BEVNSANJLDUOEF-UHFFFAOYSA-N 449.563 2.299 30 10 IEEE CCc1cnc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 464122724 PNMVMYHYRUIZRS-UHFFFAOYSA-N 432.571 2.337 30 10 IEEE COc1c(F)cc(F)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 473842587 XLJOVCFOGQOVOM-UHFFFAOYSA-N 436.440 2.383 30 10 IEEE N#C[C@@]1(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCc2ccccc2C1 474652554 DNRZYJONQBHKHW-RCZVLFRGSA-N 428.492 2.030 30 10 IEEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 489231022 KWXSFHYLZOLIHE-NRFANRHFSA-N 433.468 2.006 30 10 IEEE CS(=O)(=O)CC[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N 490105307 QHDZMOOIHOYOKD-GFCCVEGCSA-N 435.365 2.299 30 10 IEEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 505159709 JLNBHQLKTXNECT-UHFFFAOYSA-N 443.525 2.167 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 519193611 NJLFRJQVQYVPTH-GOSISDBHSA-N 432.480 2.397 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C[C@H](C)C#N)C3CC3)CC2)cc1 533140651 MQAAPCMDTCIJDO-MRXNPFEDSA-N 447.557 2.415 30 10 IEEE COc1ccc(COn2nnc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc32)cc1C#N 535359088 FIKGLXQCHLBTPN-OAHLLOKOSA-N 441.513 2.361 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 553560799 VPEYQHNNKSXNFC-LRDDRELGSA-N 429.336 2.167 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 555242998 CDBWVVNCUNFWLY-UHFFFAOYSA-N 442.951 2.446 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 558983009 LYDIQVAYUVDLJS-SJORKVTESA-N 430.578 2.003 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)CC1 590199084 RXUAIWAXAFWMKC-KRWDZBQOSA-N 427.512 2.487 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(F)cc1 609350553 ZPOFJGPLWQTBNX-UHFFFAOYSA-N 443.450 2.344 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(Br)cc1F 611547598 XASDNYIAHNJWAT-UHFFFAOYSA-N 426.242 2.466 30 10 IEEE N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 611644421 DTAOCSPZACZSEK-QGZVFWFLSA-N 430.461 2.069 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618783468 FYAJZWQDIVUNDJ-OAQYLSRUSA-N 425.510 2.305 30 10 IEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 670202428 KYKOSQGNTRKRJC-SFHVURJKSA-N 446.577 2.403 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1C 730712405 JZLSJGIHSJWVEO-GOSISDBHSA-N 429.546 2.491 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 732465440 FGWZSLBDHLNNAI-DVSFIDLUSA-N 449.914 2.269 30 10 IEEE Cc1cc(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(C)n1CC(F)(F)F 741340769 HDUPHFBPAZHWAK-ISLYRVAYSA-N 427.379 2.310 30 10 IEEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ncc(Cl)cc1Cl 741340773 HEEGVMXURMRRFY-DJKGHHAWSA-N 427.244 2.175 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2nc3ccc(C)cc3[nH]2)C1=O 744431327 GWICXFNRBWZDPI-IWZUTMLHSA-N 436.541 2.445 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 747969757 DSEUALKELGWKBW-VOMLJKFNSA-N 434.440 2.030 30 10 IEEE CO[C@H]1C[C@H](C(=O)O)N(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757473952 GAGRRZVOWRHZID-KSFYIVLOSA-N 448.475 2.229 30 10 IEEE Cn1cnc(Cn2c(-c3ccc(O)c(C(N)=O)c3)csc2=Nc2ccccc2C#N)n1 768408836 GFALPKJNSKZNKP-UHFFFAOYSA-N 431.481 2.302 30 10 IEEE C#CCN(Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 768932694 ZYEUYEOEBZNTOY-FQEVSTJZSA-N 448.585 2.099 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782296596 XTVWCPNKAFZLDG-UHFFFAOYSA-N 430.549 2.474 30 10 IEEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1OC 787553442 PEOLOGWVTAMSCV-BFHYXJOUSA-N 429.473 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC3(C#N)CCCC3)C2)CC1 796200587 IKYGCSVLGPOLEC-KRWDZBQOSA-N 426.583 2.027 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)=NO1 798951774 JGXJOTXHCQIXOI-HNNXBMFYSA-N 430.461 2.374 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 799650351 HDHXXGFIZOEHSR-ABHNRTSZSA-N 435.569 2.379 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Cc1cccc(C#N)c1 914788924 SKHJHPMFBDCFIA-GDNBJRDFSA-N 438.553 2.135 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OCC)Cc2ccccc2O)c1 1162539375 DATGVIFDQVNRQB-UHFFFAOYSA-N 432.498 2.062 30 10 IEEE C#CCN(C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)C1CCN(C)CC1 1178738992 DETOGNHBAFBQCZ-UHFFFAOYSA-N 439.560 2.446 30 10 IEEE Cc1c(S(=O)(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)sc2ccc(C#N)cc12 1211509626 CHJWPZNNKKUMME-RKOGDMNLSA-N 434.568 2.309 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1286296279 NXIPOBISBUSBPK-SJORKVTESA-N 433.553 2.350 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1286379822 CMSGRBPDTBZUGI-KRWDZBQOSA-N 437.610 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286428849 XDHONFKITUZPJL-VQTJNVASSA-N 431.606 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(C)cc1 1286431952 ULZAWLHVLOSLOP-FQEVSTJZSA-N 440.569 2.421 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)C(=O)C1 1286499712 KBLHJNWGCMMYFZ-UHFFFAOYSA-N 449.378 2.213 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CN(C2CC2)C1=O 1286514922 RSJOLOOTWJUKGY-XZOQPEGZSA-N 426.565 2.200 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286820362 KDYNHAWEUFCPBJ-GBESFXJTSA-N 438.594 2.026 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccoc2)CC1 1286890727 CRIQQKNQPWRWOU-UHFFFAOYSA-N 433.516 2.210 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1Cl 1290434665 NIRIJSPLLKIMAY-KRWDZBQOSA-N 434.887 2.180 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2ccc(C#N)o2)n1 1290650209 YTXIRALWIKJVLJ-INIZCTEOSA-N 435.410 2.420 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCOC(C)(C)C1 1290858335 HPIKYAXGXDYIAX-UHFFFAOYSA-N 427.528 2.035 30 10 IEEE Cc1c(NC(=O)CCn2cc(C#N)c(O)nc2=O)cccc1-c1nnc2n1CCCCC2 1290913219 AKENWKDIRIJBMY-UHFFFAOYSA-N 433.472 2.143 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1291878479 WZBZFEVOYKPBTM-LJQANCHMSA-N 445.527 2.443 30 10 IEEE CCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)s1 1292555616 GTUUMOZHOAKCEH-HNNXBMFYSA-N 437.591 2.219 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1293247912 SNTJSWGLDFBCGE-IBGZPJMESA-N 436.472 2.093 30 10 IEEE CCN(CC)C(=O)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1295329712 VZHMXEGGUZBQEI-MDKPJZGXSA-N 436.532 2.093 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1296994144 JSOVPOBAVKWXKS-QHCPKHFHSA-N 444.507 2.441 30 10 IEEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1 1298079356 GRBMOQMUHWEDEM-UHFFFAOYSA-N 437.592 2.317 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300313094 BCGAGQBPBJMTLL-HBFSDRIKSA-N 436.539 2.068 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1300478866 DLLOYEDXOFIDEI-INIZCTEOSA-N 446.621 2.109 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CCC)OC 1300539129 YRXUMEUOOIGBKD-RTBURBONSA-N 445.564 2.474 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccnc(OC2CCOCC2)c1 1300541573 XPJQJYQXJXTESV-UHFFFAOYSA-N 442.523 2.338 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)COC)CC1 1300711357 YWPLTIQQWLEVHM-GBESFXJTSA-N 446.596 2.087 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCn2nc(C)nc2C1 1300980736 MERJDWYCRFDLII-UHFFFAOYSA-N 439.520 2.475 30 10 IEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1300992338 WMHSFUFPAOXOIB-MRXNPFEDSA-N 440.504 2.038 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NCCC)CC1 1301072554 LYXCVLHMXZKCMO-UHFFFAOYSA-N 431.562 2.421 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1301565360 HHMCQPYIPGFDMK-PCCBWWKXSA-N 428.533 2.487 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1301952057 GEIDLNRYVRNAFU-CVEARBPZSA-N 444.511 2.435 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1303360217 MBICRIQUUABRKR-JTSKRJEESA-N 430.553 2.275 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC[C@H]3OCC)nnc12 1306856895 RDZQWOADNKOKGX-NVXWUHKLSA-N 427.530 2.396 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1314670759 NGJUQSIEACYLDY-NRFANRHFSA-N 434.548 2.470 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1=O 1316114613 DSFFNXCAFQUDJI-FDYSRKEFSA-N 440.523 2.496 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C[C@H]1C 1316125080 FKJGFVYOEGEDOO-QGZVFWFLSA-N 431.500 2.487 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1COc2ccccc2O1 1316269898 PDLOLDJNKDGSNM-LJCCNALRSA-N 427.505 2.438 30 10 IEEE C[C@@H](OC(=O)C1(c2cccc(C#N)c2)CC1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 1319915062 DQAIGQOQQSLRJI-HUUCEWRRSA-N 441.509 2.046 30 10 IEEE Cn1c(=O)c2cc(C(=O)N3/C(=N\Cc4ccccc4)SCC3(C)C)n(C)c2n(C)c1=O 1349952744 SVWILNXHGKCYKE-BSYVCWPDSA-N 439.541 2.100 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1356431951 DDBOVYXJGMRGLY-ZBFHGGJFSA-N 440.281 2.167 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccc(F)cc1 1358970059 DKBRRBAVJBESCD-PKTZIBPZSA-N 426.492 2.050 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1359026461 YUHPSJMNXGSOMT-OFNKIYASSA-N 425.533 2.078 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1359040495 XCGMYNPYYBPWRZ-KJJMTIBFSA-N 445.608 2.353 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359095633 QBPFBNBRWQNJOL-PMACEKPBSA-N 445.589 2.398 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1359113522 KOCIEUDUOBGXQQ-KRWDZBQOSA-N 428.562 2.473 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359150649 CXRHTBDHMXCPFM-QWHCGFSZSA-N 441.907 2.006 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccn(C)n1 1359254328 NATAKROBYUQGJE-FQEVSTJZSA-N 435.532 2.407 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCSC1 1359282148 RSGWIZZTRKQLLQ-GHTZIAJQSA-N 432.546 2.297 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2cc(C)oc2C)C1 1359312641 YNSXAKDTEVGHTD-JTSKRJEESA-N 431.537 2.315 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCn2nc(C)cc2C)C1 1359324703 QSXWRYRLKWHCPM-LJQANCHMSA-N 427.553 2.085 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(OC)CC1 1359333808 KNKNSWOYUNLKIC-OAQYLSRUSA-N 433.578 2.260 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1440894494 WLNCYXJKJDCQTR-CQSZACIVSA-N 437.990 2.391 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@H]2NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 1460449101 FQZUJMBBIGIKGD-ZCNNSNEGSA-N 426.590 2.191 30 10 IEEE N#Cc1cccc2c1CCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1461033371 TWFWLGAGHQFULH-INIZCTEOSA-N 440.481 2.456 30 10 IEEE N#Cc1cccc([C@@H](NC(=O)Cn2cc(Br)c(O)nc2=O)C(F)(F)F)c1 1471421129 MBUBAWFYZUWUDT-GFCCVEGCSA-N 431.168 2.003 30 10 IEEE N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C1CC1 1471552373 JNBGIKAWQLIBOS-SXLOBPIMSA-N 429.542 2.484 30 10 IEEE COC(=O)[C@@]1(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@@H]1S(C)(=O)=O 1471673222 AKNMHBVXECQGQJ-SIKLNZKXSA-N 442.493 2.365 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1475973413 HVPYVDRTROYKQA-INIZCTEOSA-N 441.575 2.115 30 10 IEEE N#Cc1ccc(CCNC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)cc1 1477513237 BKCIOOZZKMNDQF-OAQYLSRUSA-N 436.512 2.274 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)COCCO1 1495736596 WBGLMBKAONLCBV-JTSKRJEESA-N 425.537 2.190 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@@H]2C)c1 1507549650 JZFDHLCLZKEVRJ-PKOBYXMFSA-N 447.543 2.407 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1507562086 VCSMPGIIZAACNP-SJORKVTESA-N 430.553 2.478 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507575148 SOBSDACVMWAJTB-NQIIRXRSSA-N 438.594 2.136 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507581303 UETGLIWKHYFWDG-UHFFFAOYSA-N 445.527 2.188 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1507632398 ZZRPQZJZOVJAFF-GOSISDBHSA-N 436.541 2.027 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)N1CCOCC1 1507651104 BZDZNVWHRGSNNC-NRFANRHFSA-N 446.580 2.472 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N1CCCCC1 1507713012 WEULGTKZOLYHHO-MOPGFXCFSA-N 440.548 2.135 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC2)CC1 1507736005 JUEHXXPUOSCDHP-MRXNPFEDSA-N 441.507 2.048 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507836776 ZTKFEOIXJAKNGT-LPHOPBHVSA-N 444.536 2.273 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508088428 ATAMCSZCQOSYRR-PMACEKPBSA-N 445.656 2.164 30 10 IEEE CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1514403966 MZESOXYAIXEPMA-KRWDZBQOSA-N 432.550 2.114 30 10 IEEE CCCNC(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1515079583 RUHSSGQCNDAKOJ-QFIPXVFZSA-N 432.569 2.365 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccccn4)n3CCOCC(F)F)CC2)c1 1521109842 GNFLTUQKPHJIHU-UHFFFAOYSA-N 440.458 2.215 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCSCC(F)(F)F)CCO1 1521130238 TVKKJFDMAYFHOB-NSHDSACASA-N 444.439 2.030 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1528682036 DGYCSDOMFIUTME-FQEVSTJZSA-N 440.525 2.042 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nncn3CC2)c1 1534269159 XNJVMVIWFYQKNH-QBTWCYAOSA-N 444.561 2.462 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)c2ccc(F)cc2O1 1537862876 TWDUWXGNQVDWPZ-SFHVURJKSA-N 428.420 2.177 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539223067 ZBQNZZHUIVODHZ-WOJBJXKFSA-N 449.621 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccco1)N(C)C 1539299577 KSYJDQBKKNMYQH-XXBNENTESA-N 425.533 2.289 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC1(CS(C)(=O)=O)CC1 1539392887 WNZVUMSTKOTIFD-SFHVURJKSA-N 446.548 2.386 30 10 IEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1N(C)CCCC1(C)C 1539401052 QZDMHSAGLBAWCV-AUSIDOKSSA-N 433.597 2.137 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1539499720 OKMDXWRINWQPAL-HOTGVXAUSA-N 434.587 2.329 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(C)=O)C1 1539612615 OKRQMSQMVXJKTG-XHSDSOJGSA-N 442.358 2.016 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)CC1 1539643242 LPZODGBZSZXSCD-GCJKJVERSA-N 425.533 2.473 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1539649754 CROWXPSVOADRRW-ROUUACIJSA-N 426.631 2.411 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539867487 AQMJDIJGQYPMQG-UHFFFAOYSA-N 445.589 2.412 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1540013194 LXJYUYGKQNSRIV-UHFFFAOYSA-N 438.532 2.035 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NCc3ccccc3)C2)C1 1543790284 LSFUVDVROZRFFZ-OTQYULQBSA-N 426.517 2.206 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1545497540 LBZQQJRWONEVLF-QKCRCVCASA-N 428.537 2.466 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 1545816300 GBPRJDBALRCZPY-IBGZPJMESA-N 429.473 2.044 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1554421202 AQXYCYBEVVPWIN-CTNGQTDRSA-N 449.559 2.038 30 10 IEEE C=CCn1cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)nn1 1558171086 KDZXOGUHNJDYAQ-UHFFFAOYSA-N 427.505 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1560197519 RSQYGMOFLGXBRV-SJORKVTESA-N 425.938 2.430 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)CC2=O)cc1 1567193920 FWFLAZNYUDWYCB-DENIHFKCSA-N 432.480 2.470 30 10 IEEE CCS(=O)(=O)c1ccccc1CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1584137130 KOVZJIUABNZBLN-UHFFFAOYSA-N 439.541 2.303 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 1585058431 RTAKBWBKUGJAHS-RTWAWAEBSA-N 431.558 2.423 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)n(C)n1 1586321034 XHOWVYAYLOVLRP-SJORKVTESA-N 440.935 2.392 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1588049834 LTIBWGXVINCIKR-FQEVSTJZSA-N 448.552 2.248 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588064564 KOPLMHJAWHNCHD-KNQAVFIVSA-N 434.606 2.453 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1588109407 DHRIZODWARSUPN-RTBURBONSA-N 430.516 2.199 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC)cc2OC)CC1 1588877124 WDHYXRHILUUNSI-HXUWFJFHSA-N 425.533 2.145 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C)C1 1589027378 NAEBIQFQHRYXOH-HNNXBMFYSA-N 426.575 2.229 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1594855952 FSOJHESEVIJCOE-KRWDZBQOSA-N 430.528 2.344 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1595303300 PXRYFVHHOKAYLA-ROUUACIJSA-N 446.573 2.385 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1595461007 LRAAZRAHURKKIT-NBQZKYEYSA-N 430.505 2.259 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1595561900 GOPPDNZAVMOPIJ-UHFFFAOYSA-N 431.487 2.299 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1612166938 DAZFRWSSEYMGGC-KRWDZBQOSA-N 428.562 2.476 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1613554961 ARMIZHVTWDTLOV-HSZRJFAPSA-N 441.580 2.337 30 10 IEEE N#Cc1ccc(NC(=O)Cn2nnnc2-c2ccccc2)c(I)c1 1616833526 KSLMJDYEOOOBCL-UHFFFAOYSA-N 430.209 2.455 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1618021755 LVEXITYNPROXDH-NEWSRXKRSA-N 440.500 2.349 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1623172011 VNMFATVYUMOSTO-UHFFFAOYSA-N 446.504 2.022 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)s1 1626410954 ZFMHWQRFGUDOOE-CQSZACIVSA-N 443.591 2.128 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CSc2ccccc2O1 1627497123 GZXQPZDJBDMYQD-CQSZACIVSA-N 431.539 2.175 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(I)cn2)CC1 1629028338 VVHXZLCORPAVNA-UHFFFAOYSA-N 449.252 2.386 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnn(C)c3-n3cnnc3)c2)c1 1629221452 OFUOHRGOLYUFNW-UHFFFAOYSA-N 426.436 2.440 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CN(C(=O)OC(C)(C)C)C1 1633459855 ZFSUEAFXQPAJPZ-OAHLLOKOSA-N 433.509 2.041 30 10 IEEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)C1=O 1635568827 VXEWOYWREJLSLQ-PEBXRYMYSA-N 428.489 2.373 30 10 IEEE C=C1CN(C(=O)[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)CC)C1 1641274575 ZYNXRANTWWEVHR-GUYCJALGSA-N 427.954 2.133 30 10 IEEE COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1C 1642900734 XWJOOCNCESXZQP-UHFFFAOYSA-N 428.464 2.408 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CC3CC3)[C@H](C(N)=O)C3CC3)C2)C1 1642970124 NZBWRFDRYZZUCZ-VQFNIZELSA-N 430.549 2.276 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 1645274801 WPZSAIDZWMOUFK-LBPRGKRZSA-N 427.242 2.335 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2c2ncc(Br)cn2)CC1 1660237393 DXUOQXKBZFDLMO-ROUUACIJSA-N 449.397 2.458 30 10 IEEE CN(C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc(Br)c(C#N)n2)c1 1679661115 CKBBCKZOSQHWNB-UHFFFAOYSA-N 445.321 2.329 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)C1CCOCC1 1684037206 UYFKKCOZPCZUPW-SCLBCKFNSA-N 427.314 2.467 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CC=CCO2)c1 1689870659 VZKLITNSJJBUDC-LJQANCHMSA-N 429.484 2.136 30 10 IEEE C#CCCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689905805 BCSBDSDCKRYTEP-RPWUZVMVSA-N 445.608 2.423 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1689931989 OAURWVRBOUCGMA-SQNIBIBYSA-N 433.553 2.207 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1689993581 HLXKWBKCWFNKJO-KRWDZBQOSA-N 433.603 2.451 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 1689996783 OFLGFEZXIJRXCK-GOSISDBHSA-N 441.557 2.165 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(C(N)=O)nc1 1690025618 XWDGJJREUOGIPV-UHFFFAOYSA-N 428.496 2.089 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1690058923 FCYFMBGLZVUDNN-CQSZACIVSA-N 431.518 2.151 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccc(F)cc1 1690092214 ACUYDGCANPYMPB-QGZVFWFLSA-N 429.496 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1690138258 WXXYUZKQQHBNBP-LJQANCHMSA-N 430.503 2.133 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1690243822 QANRVFDAPSTSDE-MOPGFXCFSA-N 425.537 2.173 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 1690442018 KWIOLPGVBWEWPQ-NTKDMRAZSA-N 436.560 2.493 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1690709405 GTIGVMWWGFGJKJ-IAGOWNOFSA-N 429.487 2.275 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1690742384 OTSICULYUOVPBT-HNNXBMFYSA-N 432.550 2.030 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690742741 ZTPUSDQOZQZMRV-DYESRHJHSA-N 431.537 2.385 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1692660534 CSIJUEJJENPYBD-MRXNPFEDSA-N 441.561 2.080 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCC(C)C)CC1 1697011643 SEPFSNPERYGEDM-UHFFFAOYSA-N 425.537 2.341 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697844395 XZHVFAWXUZQEAL-BSBNDGSWSA-N 428.537 2.325 30 10 IEEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CCN(C)CC1 1698357740 AGCLAXZICGTNGK-FQEVSTJZSA-N 433.626 2.374 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1705617797 HYPVNIPUTVTTOR-UHFFFAOYSA-N 432.463 2.480 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1705710910 ULDOTUGETAQNQH-KDOFPFPSSA-N 427.596 2.260 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705834307 IDGPKOPHMRBRPM-CVEARBPZSA-N 437.541 2.461 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC(C)CC2)C1 1705914449 MWXZZSVWKJQLOH-IBGZPJMESA-N 439.564 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1705932786 KKRJIGKJIWTJLA-UHFFFAOYSA-N 442.501 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1705934184 DJMBVKNKFFDZQZ-FQEVSTJZSA-N 429.590 2.467 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1706633395 DFBQFUMOKWXMGA-UHFFFAOYSA-N 444.543 2.453 30 10 IEEE COC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711489167 UMXIFZQLJQLPKL-GOSISDBHSA-N 425.537 2.190 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1([S@@](C)=O)CC1 1722392029 DEOIEVGOPPWGJR-SSEXGKCCSA-N 426.542 2.336 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1722429225 IUXGTMBZBMADBN-IBGZPJMESA-N 438.576 2.374 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1722438162 ZIQXPVVDNMETMD-YZUZCNPQSA-N 428.625 2.438 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncccc2C)CC1 1722441267 JGDVYKNPZAEEPC-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C(C)(C)C)no2)CC1 1722441739 TZIIZULGOAFJFD-PXNSSMCTSA-N 442.564 2.091 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1722536630 GJJARVJETHXFOK-IBGZPJMESA-N 429.546 2.281 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722592670 XPYIAPPZXOYBLA-ZWKOTPCHSA-N 437.610 2.389 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1722618074 OOCZQVGTYPQJGU-LJQANCHMSA-N 444.561 2.085 30 10 IEEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1725688438 HHCLSCBZYPQXQA-LJQANCHMSA-N 439.545 2.035 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C[C@@H]1N1CCOCC1 1727795489 ZSQMCFXZTAFZGP-DWLFOUALSA-N 437.592 2.314 30 10 IEEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1731055323 CASKVJYUIXBPDM-RHSMWYFYSA-N 426.612 2.304 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCNC(=O)C2CCC2)cc1 1731180414 DVQYZHSBCZDANA-UHFFFAOYSA-N 449.559 2.215 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1740570386 DMZWUEHJALKADP-UHFFFAOYSA-N 449.559 2.439 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740621674 YMYZHQFLLNZMSB-UYAOXDASSA-N 429.590 2.302 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNC(=O)c1cc[nH]n1 1740632605 UNZPTJHTZRYRQN-LJQANCHMSA-N 445.527 2.261 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCS(=O)(=O)C1 1740648569 MOTLLVXOODZKBV-INIZCTEOSA-N 431.949 2.281 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1740682780 JHUHRCJIUWXGEY-UHFFFAOYSA-N 441.557 2.260 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1740774314 QJSDQCATQLOETG-LJQANCHMSA-N 449.577 2.070 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740805448 QQXTVPNMPLDZSE-OAQYLSRUSA-N 447.923 2.440 30 10 IEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1740871867 QUUUXOVDSLGOHF-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740887923 GOTDDOSUQHCVEQ-SJLPKXTDSA-N 429.496 2.304 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1740937947 TYAFMLBRYJYMRK-GOSISDBHSA-N 432.546 2.355 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]3CC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740994164 NKOKTBMHKNPUNA-LQWHRVPQSA-N 438.594 2.298 30 10 IEEE CC(C)Cc1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741486727 PDZMIPALNWVRAM-UGNPLGLKSA-N 442.564 2.256 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1745894015 FJCIHMZWZNODGK-HSZRJFAPSA-N 438.532 2.214 30 10 IEEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1747533613 BUDDXTGHFQCQAB-WOJBJXKFSA-N 438.532 2.448 30 10 IEEE CN(C)C(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1747544056 LNYOXZMKNKFJRI-ZMPRRUGASA-N 445.568 2.267 30 10 IEEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)c1 1748162815 DIPZIYMQQOHWGR-SNRMKQJTSA-N 426.521 2.006 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1748642892 RAOKOQQKEUDWOE-SBUREZEXSA-N 425.533 2.118 30 10 IEEE COc1ccc(COCCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1748835694 MIXWWMHENFXCDI-UHFFFAOYSA-N 433.516 2.405 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ncnn1C(C)(C)C 1748857735 DDPOUAKYRDYDGB-LJQANCHMSA-N 431.500 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCCCC2)CC1 1749019098 KTPLBMYHVGSEDW-TZIWHRDSSA-N 442.608 2.217 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749127364 KZQNZZFPDULCNJ-SVZOTFJBSA-N 443.470 2.366 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)n1 1749165765 NFHMBBFUGRHDCU-UHFFFAOYSA-N 439.564 2.083 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1749251244 APLSQWVRRBICEF-OAHLLOKOSA-N 431.006 2.096 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C)CC1 1749730801 QZPHNVKPEURYDW-OAHLLOKOSA-N 435.550 2.233 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCOC1 1750068318 AHHIJILIHSODBC-CVEARBPZSA-N 431.566 2.261 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1NC(=O)NC1=O 1751090806 KHDGKRIIFYJHKR-NHYWBVRUSA-N 433.875 2.464 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2CCN(C(C)=O)CC2)c1 1760128680 PIPIWIKQJSKVPN-UHFFFAOYSA-N 434.544 2.470 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760157385 NQHNQOKRVDBZNA-IERDGZPVSA-N 429.546 2.067 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1760261128 LPNWYPSYJDXCJT-REWPJTCUSA-N 425.581 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2oc(CC)nc2C)CC1 1760267819 BPWMLQCGCZZZMJ-UHFFFAOYSA-N 435.532 2.157 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1760279509 BARMIGFHWQADPX-QZTJIDSGSA-N 429.546 2.374 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C#N)C1 1760285508 ILVSYOMLUNBGAS-QGZVFWFLSA-N 427.530 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1760316107 MJQRJXFORJOKBM-BZSNNMDCSA-N 425.599 2.245 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCNC(=O)C(C)C 1760324745 MELOMZQKOBDXRT-GHTZIAJQSA-N 426.565 2.454 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760515199 QXTJMKSUXZSGOK-GOSISDBHSA-N 440.548 2.311 30 10 IEEE CC(C)OCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1761323157 NCGYQVGCQBOHMS-BBWFWOEESA-N 434.541 2.203 30 10 IEEE C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CCCO1 1763206989 ASWBUXPMNIKFAX-LJQANCHMSA-N 443.596 2.031 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@H]1CCCO1 1767087950 KVZXEXIDBLEPEY-WOJBJXKFSA-N 438.532 2.323 30 10 IEEE COCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1771272411 XNTLHLUVRAXNFS-MRXNPFEDSA-N 427.278 2.141 30 10 IEEE CCc1ccccc1N1C[C@H](C(=O)N(C)c2snc(N3CCOCC3)c2C#N)CC1=O 1853286834 WYZZMDCRZGCYJA-MRXNPFEDSA-N 439.541 2.430 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)C2CCOCC2)c2ccccc21 1854055852 GVWWKRHIMWNNIX-UHFFFAOYSA-N 425.466 2.053 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2=O)cc1C#N 1856417081 QPGLUKUHJPYOHX-UHFFFAOYSA-N 431.901 2.335 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1 1858963015 TYFZOICVALEWCM-UHFFFAOYSA-N 434.470 2.235 30 10 IEEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868743691 QKMZEJDHUWAZPU-JOCHJYFZSA-N 449.573 2.294 30 10 IEEE COc1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1F 1870097824 YRWMRFFLLUTZDI-UHFFFAOYSA-N 444.448 2.105 30 10 IEEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870144321 XPKFDBQDCJYHBW-UHFFFAOYSA-N 440.423 2.030 30 10 IEEE N#Cc1ccc(COc2cn(CCCO)c(CN3CCC4(CC3)OCCO4)cc2=O)cc1 1870349416 NDGCZQSACYSGJD-UHFFFAOYSA-N 439.512 2.020 30 10 IEEE CCOc1cccc(CC(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)c1 1890218687 FWWNRQKCPYFCMR-UHFFFAOYSA-N 427.589 2.276 30 10 IEEE C[C@@H](CN(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 1900441179 RPFQGSDZAYHIFG-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CN(CCC#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1982213991 OHZLFDSQYAZFHK-UHFFFAOYSA-N 425.530 2.063 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2014424739 CTBTYGMFXACWTI-VAMGGRTRSA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2049162538 MOAOZKDKHPSHLS-RBUKOAKNSA-N 432.370 2.446 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229103071 SNWBIXDVFYDMPQ-HOTGVXAUSA-N 425.323 2.385 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247840215 JGMHWQFIKDPIRH-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C 2250121752 JYKJBXZESFSBJP-LKBUQDJMSA-N 439.509 2.131 30 10 IEEE CCCC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255619118 MYPWHSKZUBDPLI-UHFFFAOYSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255631994 HCITZNIQTURTQC-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632272 KYZZLWBBXUDVFJ-OAQYLSRUSA-N 434.346 2.086 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644335 IBGBJHODPFMWCX-MNOVXSKESA-N 447.288 2.114 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)n1 2255816610 IJIATLWRHOJWTO-UHFFFAOYSA-N 431.342 2.286 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255875262 VJUYMAXBRCJSIW-GOSISDBHSA-N 441.406 2.251 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067785 SZGVYWLOEYDTTO-UHFFFAOYSA-N 434.346 2.151 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258875045 ZIBYILWVAMSUNV-ZFWWWQNUSA-N 434.346 2.227 30 10 IEEE C=CCCC1(C(=O)NCCn2cc(Br)nn2)CN(C(=O)OC(C)(C)C)C1 2266316273 WJEDZEVGLWCHPK-UHFFFAOYSA-N 428.331 2.360 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(Br)c(C)nn2C)C1 2266490696 BKECETMWLHQXNZ-UHFFFAOYSA-N 425.327 2.414 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001333 JTIASMVCNSIXDT-OAHLLOKOSA-N 448.373 2.015 30 10 IEEE Cn1ncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267009198 KEZLHBWIBSEXQR-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)c1ccco1 2267135056 YCSUPAHTTKEHRM-AWEZNQCLSA-N 446.313 2.298 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC1(C)C 2267196318 DPXMXAJPESKCMP-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2267264022 MJSYMTBETMIDGX-NPMXOYFQSA-N 445.369 2.454 30 10 IEEE Cn1cc(C(=O)N2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267506303 VXVVYKQUGIQXFQ-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268662692 CVJLSSRDSHFANM-CABCVRRESA-N 447.341 2.249 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@H]1C1OCCO1 2282318541 HIYRUGXFDDEMJA-AWEZNQCLSA-N 443.396 2.272 30 10 IEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319729112 ZFESCHUBDFOOGD-ZDUSSCGKSA-N 435.334 2.148 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)C=Cc1ccc(OC)cc1OC 2326878666 VIYFWQNKFBNICV-UHFFFAOYSA-N 443.525 2.498 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccccc2C(=O)O)CC1=O 2327904337 OYINPBKFDDQXKZ-CQSZACIVSA-N 431.518 2.057 30 10 IEEE Cc1nnc2c3ccccc3nc(N3CCCN(S(=O)(=O)c4ccccc4C#N)CC3)n12 96281475 MJOTVXFNONWECM-UHFFFAOYSA-N 447.524 2.359 30 10 IEEE Cn1c(=O)c2c(nc(N/N=C\c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)n(C)c1=O 98008513 PSFYVTGDPMBSLG-UCQKPKSFSA-N 447.455 2.031 30 10 IEEE N#Cc1ccnc(N2CCN(CN3C(=O)N[C@@](c4ccccc4)(C(F)(F)F)C3=O)CC2)c1 110913942 WQUMODHQFXSXJD-HXUWFJFHSA-N 444.417 2.042 30 10 IEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccc(O)c2)cc1 110956095 FQWWWTGZUZQDJN-GOBJLOIFSA-N 427.453 2.222 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 430875893 BGRJYXKGWNMVOA-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE CCOC(=O)c1c(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(C#N)cn1CCOC 432421768 QQQQEGWICJREHI-PONJGIIJSA-N 448.520 2.373 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3cc(F)ccc3F)C(F)F)CC2)o1 434662445 CBFPJADDMWEPKM-QGZVFWFLSA-N 425.386 2.378 30 10 IEEE COc1ccc(-n2cc(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)nn2)cc1 445980480 LRQPCVNCQRVVRN-UHFFFAOYSA-N 431.500 2.175 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cn1 460765082 ASSIKAWSNQDAEU-UHFFFAOYSA-N 434.481 2.165 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)c1 465187298 UJGGESUETLTTHC-ROUUACIJSA-N 435.532 2.246 30 10 IEEE C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)c1cccc(F)c1 468210916 HQBXJVFDLGWQSW-INIZCTEOSA-N 443.500 2.439 30 10 IEEE COc1cccc(N2CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 482223628 OLTWZSFHUYDKHX-AEFFLSMTSA-N 442.541 2.019 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)F)[C@H](CC)C1 508810851 QCPSLABQXRSJIQ-MRXNPFEDSA-N 429.479 2.273 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)CC1 513389592 JUQITUYTPUKPTJ-QFIPXVFZSA-N 429.609 2.117 30 10 IEEE COc1cccc(OCCN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513788906 ZMURERSKNZANRO-UHFFFAOYSA-N 429.542 2.037 30 10 IEEE Cc1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1S(=O)(=O)NCC#N 521800137 HCPBVTXSIVVUCZ-UHFFFAOYSA-N 446.573 2.098 30 10 IEEE CNCCCc1n[nH]c(NC(=O)c2n[nH]c3ccc(I)cc23)c1C#N 534057849 ZCDGLPGWOIIKLW-UHFFFAOYSA-N 449.256 2.167 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1 535138592 REPUETFZSFWWOX-UHFFFAOYSA-N 439.487 2.264 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CC2)c1 549495785 DLLMZMJBGFYNMG-NHCUHLMSSA-N 439.516 2.464 30 10 IEEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 578943107 DZPAQJOISRNUTK-UHFFFAOYSA-N 449.559 2.458 30 10 IEEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 669814564 KYBSIWQZGCKACH-GOSISDBHSA-N 427.534 2.275 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccco2)C1=O 730140093 UPJUZYROTTVYMN-SFHVURJKSA-N 425.514 2.351 30 10 IEEE C=CC[C@H](NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)c1ccncc1 734678099 CSTYDFRBOYBUIQ-SFHVURJKSA-N 429.546 2.139 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCN=c2cc[nH]cc2)c1 735863089 HJVTZARFLDEGIP-LHLOQNFPSA-N 444.561 2.330 30 10 IEEE CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 753558902 OMJBVHRYBBSFPP-AWEZNQCLSA-N 428.880 2.090 30 10 IEEE CCN1CCN(c2ccc(CNC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cn2)CC1 761660116 ZDCSIYPXZKEHJN-JOCHJYFZSA-N 434.544 2.378 30 10 IEEE CC(=O)N1CCC[C@@H](COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 766467163 XQNLZMCRXCPYFR-QGZVFWFLSA-N 435.546 2.087 30 10 IEEE C#C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(F)cc1 812935242 AHANGDDZQNXUBF-VQTJNVASSA-N 438.507 2.095 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 816693794 SETJQRYGJKJLAT-KRWDZBQOSA-N 449.916 2.441 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCN2CCCC2=O)cc1 916720025 DWGZGJJRMLAXNK-LYBHJNIJSA-N 449.577 2.414 30 10 IEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 917925820 PGQMSGDYHPTYOJ-SFHVURJKSA-N 425.572 2.457 30 10 IEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc(OC)c1OC 1084211538 SVUMRDIMHCKLFG-UHFFFAOYSA-N 443.489 2.402 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)Nc3cccnc3)n[nH]2)cc(OC)c1OC 1084334356 MCWDNXDFYPUGMR-UHFFFAOYSA-N 443.489 2.402 30 10 IEEE CCOC(=O)c1c(NC(=O)c2cc(F)cc(N3CCOCC3)c2)c(C#N)cn1CCOC 1125069679 AALLGDKOKGPLKA-UHFFFAOYSA-N 444.463 2.411 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@](C)(C(=O)OC)c3cccc([N+](=O)[O-])c3)cc2C1=O 1132137139 FAZMIYDBISGNQT-QFIPXVFZSA-N 437.408 2.195 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCC[C@H](C)O3)nnc12 1161657029 PKVSCIVSWHBTNE-LSDHHAIUSA-N 427.530 2.396 30 10 IEEE CC1(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC(C)(C)N1 1181422112 NHGQXYJHGQMTMY-UHFFFAOYSA-N 432.590 2.338 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1224761847 IQWPAHZENIZAPF-MRXNPFEDSA-N 443.488 2.218 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)c1 1227921671 FZFVWLZWNWTFDU-IBGZPJMESA-N 439.482 2.085 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCCC3(CNC(=O)OC(C)(C)C)CC3)CC2)c1C#N 1252669771 DVWDLOQTPADSPS-UHFFFAOYSA-N 445.568 2.127 30 10 IEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286322084 YRSYWVXEZDPTJZ-UHFFFAOYSA-N 425.581 2.457 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286349795 OQSPEKGSWDAZFL-FQEVSTJZSA-N 442.608 2.109 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1286392049 HOSQBSLAHRNGAQ-IAGOWNOFSA-N 449.964 2.243 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1286397447 ZLIQKZLCCOQGKJ-INIZCTEOSA-N 446.602 2.251 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCS1(=O)=O 1286430614 NLKQAWUDRIUAQM-GOSISDBHSA-N 431.587 2.064 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCC[C@@H](C)C1 1286462182 GBPCNUMGBSLTHQ-MSOLQXFVSA-N 442.564 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1286493227 MFEYICBLWBJPPR-RDPSFJRHSA-N 443.592 2.171 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC(=O)N1CCOCC1 1286528571 GRWRWCOTHYCBCE-XMMPIXPASA-N 437.544 2.270 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1286541920 FXGZLLICRDGETM-INIZCTEOSA-N 436.358 2.153 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1286606570 URPFFGZFQKWTCS-WMZHIEFXSA-N 425.533 2.228 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2)CC1 1286652321 VKIORPIHICEZHX-KKSFZXQISA-N 433.578 2.198 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O)c1ccccc1 1286678799 DXESWLFEOMCCHN-UHOSZYNNSA-N 445.589 2.240 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCC2)C1 1286797877 DCEWIZOTOUPPQB-KRWDZBQOSA-N 425.537 2.191 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)C1 1286808130 UVJUTTJZUVLQIZ-MOPGFXCFSA-N 431.562 2.013 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cccs1 1286821886 DFLRYOAWAZDDDS-HNNXBMFYSA-N 437.591 2.260 30 10 IEEE N#CCCn1cc(C(=O)NC[C@H]2CCN2C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1289227797 WMKGBMLNPKMJMM-LJQANCHMSA-N 438.488 2.355 30 10 IEEE CO[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)CCOC1 1299794110 BBLVBZVMDADGHZ-YCRPNKLZSA-N 446.939 2.263 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1300357050 HWQMEZBPVQGVKZ-KRWDZBQOSA-N 431.500 2.207 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1OC 1300464459 FPZYBSRDVVVRBD-SQNIBIBYSA-N 433.553 2.471 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300489390 NFXNRNPUEVQQMK-JUXOCIIHSA-N 430.574 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1N1CCOCC1 1300575251 UYQRIQYIKCQGLA-UHFFFAOYSA-N 443.555 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC(F)(F)CO2)CC1 1300718342 KSWCHFMETMDKFF-MRXNPFEDSA-N 433.459 2.237 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1(C)C 1300838360 KSQJRIOUMYVQEB-FDDCHVKYSA-N 438.532 2.068 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccccc1 1300883676 DMIDBIJFFUXITK-DYXWJJEUSA-N 425.533 2.209 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301226430 FEFSRWLBELCCFK-SFHVURJKSA-N 428.562 2.496 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1301251543 FXXBDPGZJJYDTG-KRWDZBQOSA-N 438.532 2.400 30 10 IEEE CON(C)c1nnc(CSc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1302359578 GLUNCFCIKVGBIC-HNENSFHCSA-N 428.518 2.403 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1303230967 YCKDVNPKFMNEIM-QUCCMNQESA-N 438.532 2.259 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H]3OCCC3(C)C)CC2)c1C#N 1304730274 BQAMNRIYNIYWFY-SFHVURJKSA-N 426.569 2.457 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1311610856 GYJBYILLWJGBMJ-INIZCTEOSA-N 441.550 2.161 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1313033117 BPDRXKSNDBJSKO-RBUKOAKNSA-N 444.532 2.402 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCCN1CCOCC1)[C@@H]1CCOC1 1314702178 UKACXBGPUIRLIZ-HXUWFJFHSA-N 440.548 2.066 30 10 IEEE CN(CC(F)(F)F)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1314718671 ZAMBZTVGQMBTFN-FOCLMDBBSA-N 440.451 2.455 30 10 IEEE C=CCO[C@H]1CCN(Cn2nc(C3CCN(C(=O)OC(C)(C)C)CC3)n(CC)c2=O)C1 1325206013 NAWUMGICSBKDMU-SFHVURJKSA-N 435.569 2.414 30 10 IEEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1350328345 RXIIMVSYVPXKIC-UHFFFAOYSA-N 430.526 2.336 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1358889986 JSFOZMJELGMAGX-UKRRQHHQSA-N 447.565 2.253 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359225345 VPAJPZWAWCGMQI-FQEVSTJZSA-N 426.565 2.481 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1COCCO1 1359278361 RGGGAJSLSDSGQV-LJQANCHMSA-N 429.521 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnn(C)c1 1359295202 UCRDAAINATZZNN-UHFFFAOYSA-N 444.337 2.380 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359333908 NROJKDMWQUPMIK-IEBWSBKVSA-N 447.580 2.282 30 10 IEEE CC(C)=CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359612400 PEIGONTXASQRJV-UHFFFAOYSA-N 434.548 2.350 30 10 IEEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1360309610 HSHMCSOSAFPSKH-UHFFFAOYSA-N 439.564 2.174 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1)C(=O)OC 1448492664 GDURLXIJUCFIKP-OAHLLOKOSA-N 426.395 2.006 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1449101448 GJZFOQFOLUNCEZ-STQMWFEESA-N 429.867 2.402 30 10 IEEE C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1455822367 MVSFDUVTQJYZBV-HBMCJLEFSA-N 430.593 2.159 30 10 IEEE Cc1cn(C2CCOCC2)nc1C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1457781295 ROTZSXYTSBMXRM-UHFFFAOYSA-N 434.294 2.340 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)c3coc4c3C(=O)NCCC4)c(C#N)c2N)cc1 1465600028 PRHAWVCOCUFBHA-UHFFFAOYSA-N 432.484 2.266 30 10 IEEE N#Cc1ccc(F)c(C(=O)NC[C@H](O)COc2ccc(I)cc2)c1 1465914022 ZPTCIYRRRCACEN-ZDUSSCGKSA-N 440.212 2.472 30 10 IEEE CN(C)CC#CCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O 1471035311 CPBFOTWQPOWWDW-HSZRJFAPSA-N 449.551 2.346 30 10 IEEE C=CCCn1cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)nn1 1471658075 DRLUAAOIZBOYIF-UHFFFAOYSA-N 441.532 2.478 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1478504662 PBVNUONUOZPMDS-VNQPRFMTSA-N 428.352 2.141 30 10 IEEE C#C[C@@H](NC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1)c1ccc(Br)cc1 1478895870 HHQVBSVNAPJCSQ-MRXNPFEDSA-N 441.347 2.113 30 10 IEEE Cc1cscc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1492652592 IQKKNLSDHCUYPQ-UHFFFAOYSA-N 437.529 2.370 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H](OC)C(F)(F)F)CCOC1 1502682337 ZBBXYSBMQVAUFH-RRQGHBQHSA-N 435.422 2.340 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@H]2C)cc1 1504304804 GGSFBWSPSROCKF-QZTJIDSGSA-N 428.537 2.182 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CCO1 1504723604 XWBJCFLZHDUVEA-TZIWHRDSSA-N 441.532 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)nn(C)c1CC 1507523353 LAYQQAGCPUPXRJ-INIZCTEOSA-N 444.547 2.285 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507691450 BPHDSEXVVKCCCF-LJQANCHMSA-N 431.548 2.224 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CCC1 1507711112 NXSCFENRMUVKFN-QPHCHLROSA-N 444.557 2.178 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2CCOCC2)n1 1507716912 OLTOZQYKZWCCJS-UHFFFAOYSA-N 435.532 2.249 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507846156 DNJDGALZLBQQLL-QFIPXVFZSA-N 439.608 2.073 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1508139376 FZWFRJJERAOGBB-DLBZAZTESA-N 438.623 2.390 30 10 IEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1508157992 IILQGAJNRGHVDU-UHFFFAOYSA-N 426.546 2.207 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCc3ccc(F)c(F)c3F)CC2)c1C#N 1511662923 OHRXUYZZTGCQML-UHFFFAOYSA-N 444.465 2.487 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1515963126 PAAYJUREKOMQDX-UHFFFAOYSA-N 441.536 2.298 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1516835278 RKGRBHOITYVJNE-HDICACEKSA-N 428.562 2.238 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1519035278 HFDZZYREHDEETH-ROUUACIJSA-N 427.461 2.269 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C#N)cc3OC)CC2)cc1 1519697390 GVTAIYJOXARXHF-UHFFFAOYSA-N 429.498 2.112 30 10 IEEE COC(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1OC 1527455466 XBTZJDOLDLIQMC-QGZVFWFLSA-N 436.424 2.197 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 1534662396 HEFFDJXIKAVHEO-KGLIPLIRSA-N 434.459 2.491 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1538974224 RIWGVLVHAXZVKA-STQMWFEESA-N 444.483 2.003 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216958 YGEAOHVSFBPBNJ-GOSISDBHSA-N 444.605 2.164 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(F)cc1)N(C)C 1539238239 UBGVHJGHJANJBN-ZJSXRUAMSA-N 439.535 2.445 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@H]1C 1539265929 KUQCUERMMRNZCH-HXUWFJFHSA-N 432.576 2.009 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539506894 ZMISKTSCQPNBGW-MRXNPFEDSA-N 434.587 2.334 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1540870152 GDOKGMVEVKTUNH-UHFFFAOYSA-N 430.597 2.177 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1C(C)(C)C 1540875941 CJDRBXRMBSIMKT-UHFFFAOYSA-N 426.569 2.118 30 10 IEEE COc1ccccc1[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1544404255 QORBHUNCTWBIGL-TZIWHRDSSA-N 448.479 2.372 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CC(=O)N1C 1544724118 WUNIFORXSUFFPT-QGZVFWFLSA-N 430.516 2.381 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1546838360 BRICWNKUIWQEPX-QHCPKHFHSA-N 434.548 2.428 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc(-c3ccc[nH]3)n2CCOCCCO)CC1 1555991233 QKZJHFAZJVNGCG-UHFFFAOYSA-N 435.532 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1nc(C(N)=O)cs1 1557540619 YBMTUQLIMOGGFF-QGZVFWFLSA-N 441.513 2.264 30 10 IEEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1558422112 ROWALFIDLHVRHS-UHFFFAOYSA-N 434.558 2.220 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(I)cc(F)cc2c1=O 1559428193 VRSYHCVERXMJOE-MRXNPFEDSA-N 442.232 2.195 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 1560193739 JMVIEKOURQASOF-ZCNNSNEGSA-N 435.613 2.161 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCc2ncc(Br)cn2)CC1 1565440668 XLEUYGAENYNVOT-UHFFFAOYSA-N 432.282 2.008 30 10 IEEE CNC(=O)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)Cc1ccc(OC)c(F)c1 1585947701 VMFTZXBLIFPLOD-QGZVFWFLSA-N 435.459 2.226 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1587567476 GJQMWFLBPYPYIO-WAIKUNEKSA-N 444.532 2.462 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)COCC2)[C@H]1CCS(=O)(=O)C1 1588030383 UCXQONIYOHBIPA-FQEVSTJZSA-N 428.558 2.149 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1588034570 IPLDPTHXJDJXCU-MJGOQNOKSA-N 446.598 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H](C(C)C)N1CCOCC1 1588149267 LQNFBZWLGHYDDM-QFIPXVFZSA-N 435.572 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cn2cccn2)cc1 1588174442 WQEHEEQAOQJNAT-UHFFFAOYSA-N 429.528 2.172 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1588752050 PMBVZFIZYOLLNW-RPWUZVMVSA-N 445.608 2.015 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCS(=O)(=O)CC 1589529984 RENJPWAYMRCOEY-SQNIBIBYSA-N 426.583 2.024 30 10 IEEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CCN1CCCS1(=O)=O 1595009099 ACHUZOZXZJMJFV-UHFFFAOYSA-N 437.591 2.237 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)C1 1595674818 UXPMVLXVCQLTAX-MSOLQXFVSA-N 425.537 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1595760457 MXDCSSMKWBWTDO-LJQANCHMSA-N 434.562 2.287 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1595807552 HBIFRMGIMWLJPJ-OAHLLOKOSA-N 433.530 2.129 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1596056306 CMNFTHMLTJQTPA-OAHLLOKOSA-N 432.477 2.100 30 10 IEEE COc1cccc([S@@](=O)CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 1596420413 QNOPGGZSJCERGF-IADSKUHDSA-N 449.554 2.254 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](c4ncc(C(=O)OC)s4)C3)cc2C1=O 1598372274 ALKRKCQRWXJBQN-ZDUSSCGKSA-N 425.466 2.341 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)c1 1611615928 ARARUUDESFFDQX-UHFFFAOYSA-N 434.880 2.469 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)cc1C 1612103345 RHDCEWZQSUGING-INIZCTEOSA-N 447.499 2.327 30 10 IEEE CC[C@@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccccc2C#N)CC1 1613074057 LFFXJSQEIATYQP-FDDCHVKYSA-N 442.564 2.361 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1614978763 WDHPBAZFODDMBC-UHFFFAOYSA-N 435.463 2.145 30 10 IEEE CN(CCCc1ccccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1618214586 PECNPGRTHWEATG-INIZCTEOSA-N 440.529 2.157 30 10 IEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1618879777 FRZCZSCRVDEURK-UHFFFAOYSA-N 427.505 2.279 30 10 IEEE COc1ccc(CN2CCCN(C(=O)CN3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1620625942 FQYJXRGZJMUVLI-UHFFFAOYSA-N 427.545 2.067 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)n[nH]2)c1C 1623880712 YIESFCUPYLWJHF-GOSISDBHSA-N 433.516 2.392 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(c2ccccn2)CC1 1623897861 GGZJFCGRZKKHIL-KRWDZBQOSA-N 426.542 2.383 30 10 IEEE C#CC[C@H](NC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1)C(=O)OC 1626187993 NWTDOUSGQUWPER-FQEVSTJZSA-N 440.931 2.352 30 10 IEEE CC(C)(C)CC[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 1635255826 WYOPDLCWOLLNLH-MRXNPFEDSA-N 436.578 2.082 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1635343008 KWRVXPLPNHHRDA-OAHLLOKOSA-N 432.498 2.316 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1645088559 XOSYPKVZCXKOAX-DLBZAZTESA-N 445.520 2.203 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC1CCSCC1 1648441197 HDBYQHYODNCFGS-KRWDZBQOSA-N 439.603 2.312 30 10 IEEE COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccc2F)cc1 1652916841 QPUJFFUUIOUYEK-FQEVSTJZSA-N 433.461 2.390 30 10 IEEE N#CC1(C[C@H](O)CN2CCN(C(=O)c3ccccc3I)CC2)CC1 1653193322 DKGDMEYHPNYWQA-AWEZNQCLSA-N 439.297 2.104 30 10 IEEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1655431342 NWXJPSCDFOZTEY-UHFFFAOYSA-N 433.574 2.040 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2ncc(CO)n2Cc2cccc(F)c2)CC1 1656615425 FSVICKVABMBGFN-HXUWFJFHSA-N 445.564 2.347 30 10 IEEE CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1661487666 BYKMKAPXVYQJDT-UHFFFAOYSA-N 446.323 2.458 30 10 IEEE NC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H]1C(N)=O 1662958750 HMVQGALDUUDFHR-AOOOYVTPSA-N 444.307 2.027 30 10 IEEE N#Cc1nc(NC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)ccc1Br 1663862331 BCOSFMMFGNZONS-AWEZNQCLSA-N 429.278 2.423 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)c1 1665665907 CDMVYADLKWPQAC-WGSAOQKQSA-N 428.510 2.403 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 1670995705 DVPCQSBPPDXABJ-UHFFFAOYSA-N 430.461 2.165 30 10 IEEE C=CCn1cc2ccc(NC(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)cc2n1 1673216084 TUDKAQRAVNFPTR-UHFFFAOYSA-N 438.532 2.190 30 10 IEEE C=CCCOCCNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1680979131 OHZTZUBZPFZSKQ-HNNXBMFYSA-N 438.491 2.362 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](C)NC(=O)OC(C)(C)C 1682021340 DURAVKIYAVMEAP-RLFYNMQTSA-N 429.521 2.260 30 10 IEEE C#CCN(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCc2ccccc21 1683813714 XMEDKPJEVVGTEI-QFIPXVFZSA-N 446.555 2.238 30 10 IEEE CN(CCNC(=O)C1CCN(C(=O)NCc2nc(C#N)cs2)CC1)Cc1ccccc1 1687729932 XEXMACYFGKADPC-UHFFFAOYSA-N 440.573 2.185 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1689827509 GIPXKNUXCGIOIB-MPGHIAIKSA-N 433.603 2.377 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(C)COCCO2)c1 1689870150 DADUUFUZYJHQKL-DEOSSOPVSA-N 446.511 2.202 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCO)Cc1ccccc1 1690678041 JCWTZJPRJAISOL-TZIWHRDSSA-N 441.576 2.498 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1690678264 PXRMXDOWOGSPLA-NLWGTHIKSA-N 449.596 2.129 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@](C)(CC)C1 1690725216 IMGBAQJDPBVLQS-QFIPXVFZSA-N 448.589 2.484 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1693507596 AIMGIHLPHDPOQR-UHFFFAOYSA-N 445.531 2.322 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1694598580 DUQOHJCMKQJYDM-JOCHJYFZSA-N 426.569 2.453 30 10 IEEE CN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1696739225 VEVGGLPFSMZHFU-MRCUWXFGSA-N 440.479 2.369 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CC(F)C2)CC1=O 1698076654 NWAWZHZLSFKBQN-QPIRBTGLSA-N 440.523 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1cnn(C)c1 1705489497 QHHMGFCPPHACJX-MRXNPFEDSA-N 440.577 2.062 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705538633 VRVPBSKEAKCOHC-HDICACEKSA-N 442.564 2.117 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(OC)CCOC1 1705676767 OABMQDXQEGLQCM-RTWAWAEBSA-N 429.546 2.067 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)C)CC1 1705693133 BYEXRPLSKAIYLD-PMACEKPBSA-N 430.597 2.416 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(N(C)C)cc2)CC1 1705762611 DJYDWEUOXDMKSY-KRWDZBQOSA-N 432.594 2.353 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1705876179 QNFMIHOOSCBOOT-FQEVSTJZSA-N 429.590 2.469 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1 1705884515 QMMQZIWSFXJQPD-OAHLLOKOSA-N 439.607 2.447 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1705891387 BJQWWYFKYXRDJE-UHFFFAOYSA-N 426.546 2.173 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(C)C)C1 1705898539 OWFKCKLKCYZXDS-IBGZPJMESA-N 429.521 2.126 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(F)(F)F)CC1 1705907347 JMGZLCQVXURKIS-UHFFFAOYSA-N 425.459 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1705933733 QFTGKDMSILRNGX-AWEZNQCLSA-N 439.969 2.018 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCN2CCCC2)CCOC1 1706678118 BZBWQUMLSFLUAZ-OFNKIYASSA-N 446.596 2.314 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1710871560 WMOJPSRMSMEEJM-VQIMIIECSA-N 447.561 2.025 30 10 IEEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1711192684 OITQCRZYACQVFB-IBGZPJMESA-N 431.562 2.383 30 10 IEEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1711233351 URMMQAXOTJKTNW-GOSISDBHSA-N 429.546 2.114 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1711799156 MJCFGSNKTBQPPJ-JPYJTQIMSA-N 440.523 2.429 30 10 IEEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN/C(O)=C1\N=CC=CC1=O 1711940601 DLRFFEORIHPHDL-APFMSCDFSA-N 435.488 2.218 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1(C)C 1712071327 GGNFPTGMIQEEPR-SJLPKXTDSA-N 429.546 2.113 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1712254207 FMRBXERRZNNACP-XMSQKQJNSA-N 443.573 2.460 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCc1n[nH]c(C)n1 1712442530 AXGDHQGSRJMSJU-UHFFFAOYSA-N 445.531 2.478 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)cc1 1722277078 KIAFDHNBIQISAD-MOPGFXCFSA-N 427.549 2.345 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cnnn1 1722282151 LXTJWKQSLXMCPS-GFCCVEGCSA-N 433.289 2.381 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1722336895 RPBJDCMCXGZBPM-OAQYLSRUSA-N 448.571 2.484 30 10 IEEE C#CCCCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@]1(OCC)CCOC1 1722341162 UUVQPBYANJBVJR-QHCPKHFHSA-N 442.564 2.271 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnc1C 1722430763 IWUTWAUCFWRPCE-UHFFFAOYSA-N 430.516 2.247 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722488091 AUGWHJOBACAYRJ-UHFFFAOYSA-N 429.363 2.307 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)CC1 1722509124 LSHXQRHINWYSCS-UNMCSNQZSA-N 426.565 2.014 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)CC 1722656518 DBOCCQHUGOFGLX-LJQANCHMSA-N 429.546 2.281 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCSC[C@@H]1C 1722729337 JHWMWEGNHLPHBO-INIZCTEOSA-N 446.602 2.059 30 10 IEEE CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723260692 TYCDVJYVEDSUFZ-LPHOPBHVSA-N 439.564 2.293 30 10 IEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)F)CC2)COCCO1 1724041041 SDKOLTQUFJBHGC-OAQYLSRUSA-N 432.475 2.009 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730481677 RDZHBXKPRQJQCQ-YJBOKZPZSA-N 429.456 2.014 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1730839947 IHPNBBKJKHMCTL-SIFCLUCFSA-N 440.520 2.357 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1740596409 DZHVZVGEKVXUIW-DENIHFKCSA-N 427.553 2.393 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC(F)(F)F)CC1 1740697966 KQMBOROASHWFOI-UHFFFAOYSA-N 428.484 2.316 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740786807 PCSUAEBGDLLTJP-UHFFFAOYSA-N 444.511 2.001 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740804874 GSLQFOHIXPUCAP-LJQANCHMSA-N 437.953 2.064 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740863554 AQOWLKHMIZPZEH-MSOLQXFVSA-N 437.610 2.230 30 10 IEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740888537 OHNWBKWUPVKOMG-XEWABKELSA-N 445.589 2.460 30 10 IEEE C[C@@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccsc1 1741952505 BYFAUQNITNRJSO-OXJNMPFZSA-N 449.602 2.279 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)cc1 1742269827 HZYGJPZEFWTCBE-UHFFFAOYSA-N 429.546 2.483 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1745108346 LTWMCRMUYVZXJY-SNAWJCMRSA-N 444.561 2.213 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1748745262 NDEZZNQZBYQGLJ-UHFFFAOYSA-N 429.528 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ncnn1C(C)(C)C 1748835646 GMQLUADHZDJYMX-UHFFFAOYSA-N 433.516 2.430 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)C1CC1 1748945332 QQERCZQZANMASJ-UYAOXDASSA-N 446.548 2.384 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2CC2(O)CCC2)n1 1748970741 QAEGMJNREFLCNG-UHFFFAOYSA-N 438.507 2.482 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCC2)CC1 1749017059 USSZTJIQDFXSPS-UHFFFAOYSA-N 440.617 2.382 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1749064669 FPGIQAMHCBRZKC-PNLZDCPESA-N 430.553 2.382 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749126340 BCVDLEAOOWCQBF-LMMKCTJWSA-N 441.536 2.431 30 10 IEEE C=CCCOCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749458142 ZBKFDCIXNGQRCI-GHTZIAJQSA-N 430.597 2.127 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1749458788 OCDHGSAMEZGSMJ-UHFFFAOYSA-N 435.488 2.104 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CF 1749531045 FCVJJJFNEHFMTG-FHLIZLRMSA-N 432.525 2.483 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)N(C)C)C1 1749696044 OBVFJSLYFQOCFG-QGZVFWFLSA-N 439.969 2.271 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C)N2CCCCC2)C1 1749718318 UZTZDUUMPZQJKB-VQTJNVASSA-N 430.597 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749721234 DGSXTRKTBKRRID-RCCFBDPRSA-N 435.594 2.130 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1750071067 XMAIHWQQUOAGLX-AWEZNQCLSA-N 428.456 2.301 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760142387 AZVGFMFLFUMUTN-AUSIDOKSSA-N 431.581 2.475 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1760164852 BKBQZTDQWNCOGO-IBGZPJMESA-N 442.507 2.219 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc2c1OCO2 1760207494 LLYIJZJYLSWFKW-UHFFFAOYSA-N 433.493 2.119 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)c1ccccc1 1760210528 SLQGJOHAVQVBJQ-INIZCTEOSA-N 435.500 2.143 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCOC1 1760216543 RNZVMIZUSZQKAN-GOSISDBHSA-N 440.573 2.128 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1760249919 BWXLQSRTIYZKRJ-UHFFFAOYSA-N 446.490 2.118 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)c(F)c2)CC1 1760257417 WBXYEZZNJLTXAU-QHCPKHFHSA-N 445.514 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@@H](F)C2)CC1 1760264625 ATHYQLGYCGIPER-FUHWJXTLSA-N 446.571 2.301 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760306396 CNMFEBLHNAUGGT-UHFFFAOYSA-N 431.338 2.490 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1760329646 GVFGHJQNTJBMLH-CQSZACIVSA-N 425.530 2.487 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F 1760505058 JMMLFVWJTVVSFF-INIZCTEOSA-N 440.516 2.340 30 10 IEEE CCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1766295357 DFSGXEVPEYACDS-ZWKOTPCHSA-N 427.505 2.356 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)F 1767063319 AYNZLWFSRFDVMP-MRXNPFEDSA-N 439.488 2.318 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1C[C@H](C)O[C@H](C)C1 1770177035 DJKNXOYKVAZTQT-SLHNCBLASA-N 434.585 2.097 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1770578504 VKCIJDHQBLNIIX-SFHVURJKSA-N 449.602 2.495 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1771535625 SZIJLSBDZJLTFS-ZWKOTPCHSA-N 426.496 2.005 30 10 IEEE COc1ccc(C#CCN2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 1848644149 RZRJCRNFVUZKIT-OAQYLSRUSA-N 442.585 2.042 30 10 IEEE Cn1ccsc1=NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1851517522 CZVRJXVACWFCLD-CABCVRRESA-N 429.933 2.024 30 10 IEEE Cc1ccc(-c2cc3n(n2)[C@H](OC(=O)Cc2cc4c(cc2C#N)OCO4)CNC3=O)cc1 1852833091 ZOASXRRTIAMMDU-OAQYLSRUSA-N 430.420 2.487 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2=O)CC1 1853789454 HYOBSQBXGYNCDC-QFBILLFUSA-N 428.920 2.446 30 10 IEEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3nccc(Cl)c3F)C2=O)C1 1854196935 SDYUGWAEDBMFJX-OAHLLOKOSA-N 429.839 2.035 30 10 IEEE COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1Cl 1854380380 STOINYZJOXOGNU-HNNXBMFYSA-N 436.873 2.311 30 10 IEEE CC(C)N1CCCC[C@H]1C(=O)N1C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c2ccccc21 1857141981 IUWVAHTZHWVJMW-APWZRJJASA-N 432.546 2.119 30 10 IEEE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)CC1=O 1857294335 QHTANYFGOABNBL-APWZRJJASA-N 428.920 2.364 30 10 IEEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 1862607419 NXMZGQDJRQNNRI-HXUWFJFHSA-N 441.436 2.484 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1Cl 1870143444 MFILTAJBNIMRQB-UHFFFAOYSA-N 446.876 2.425 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN1CCOCC1 1870399678 YICHWDHLFYPHEV-UHFFFAOYSA-N 425.485 2.087 30 10 IEEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873217689 LHRBUFJSTWZHRE-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)CC1 1890274321 XBXNVMOJHKTONW-UHFFFAOYSA-N 427.574 2.010 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C)c1 1891495860 SJVXFUSUWLLCDH-FQEVSTJZSA-N 442.537 2.355 30 10 IEEE CCCn1c(C(=O)N2CC(COc3cccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1891940392 CUHQUNNWYLJRPW-UHFFFAOYSA-N 442.479 2.477 30 10 IEEE C[C@@H](NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 1918687137 LBHCLEJTWDWKNY-MRXNPFEDSA-N 432.370 2.446 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCC(=O)NC1CN(C(=O)OC(C)(C)C)C1 2049392876 HISLIIMMUSZPCE-UHFFFAOYSA-N 446.353 2.409 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 2054341032 JJMVMBNUHYCDCO-LLVKDONJSA-N 427.242 2.335 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060633059 JHULCBORTYDBFU-UHFFFAOYSA-N 434.342 2.143 30 10 IEEE COC(=O)[C@H]1Cc2ccc(Br)cc2CN1Cc1cc(O)n2ncc(C#N)c2n1 2087917702 BEGHRNTURIEENM-MRXNPFEDSA-N 442.273 2.169 30 10 IEEE NC(=NO)c1cc(Br)cn(C[C@@H]2CC2(Br)Br)c1=O 2217992906 SZVLJXMMAXJEQM-YFKPBYRVSA-N 443.921 2.211 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387556 WLPXXUWHBFQULK-NEPJUHHUSA-N 425.360 2.474 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243419324 WOIVWDJJMKZTQA-NEPJUHHUSA-N 425.360 2.474 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247837999 AXPOYADCYGXGJC-LLVKDONJSA-N 442.753 2.016 30 10 IEEE C[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)N(C)Cc1ccccc1 2255608745 AJNXLHUTNORNPN-QGZVFWFLSA-N 426.370 2.360 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255696774 YSSIIEQALKZEKV-GOEBONIOSA-N 433.358 2.310 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255838179 BOQQJXOQJAWLAK-MNOVXSKESA-N 447.288 2.114 30 10 IEEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255857475 IQBVUPSIAYZHJZ-UHFFFAOYSA-N 435.334 2.073 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2256926942 CKKTWTRWCAVSFJ-GUYCJALGSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2260847453 XVXRFXZXBKDIDL-GVDBMIGSSA-N 434.342 2.152 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2267126120 JXZCHMGZABGHEO-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267145910 JSDVZAAHIYLHNT-QFBILLFUSA-N 438.381 2.421 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267173464 LDIJLJMFNMAXPS-YLJYHZDGSA-N 436.365 2.416 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1C(=O)OC(C)(C)C 2267176112 VPEZESGBIGPLMV-CABCVRRESA-N 446.357 2.246 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267181305 QOIZSKCPHSASPH-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2267181331 QWSWAXVQQDARLG-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267282036 ZMQZBFURAZFCHS-CMJOXMDJSA-N 443.353 2.368 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268653473 NMSPMBLEDKVDIA-KBXCAEBGSA-N 446.353 2.102 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C1CS(=O)(=O)C1)[C@@H](N)C#Cc1cccc(Br)c1 2278735711 RXARXZGZGPSPNE-HOTGVXAUSA-N 443.363 2.066 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(S[C@H]3CCN(c4cc(C)nn4C)C3=O)nnc12 463062656 BYRWHNCPMDDMFD-INIZCTEOSA-N 435.513 2.170 30 10 IEEE COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](C)n3cnc(C#N)n3)ccc2C)cc1 466947944 CXMDYHINUKSQDV-CQSZACIVSA-N 440.485 2.467 30 10 IEEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 474746662 DULNITNGACIDBX-UHFFFAOYSA-N 449.511 2.359 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)CC1 480919027 BQXPYSSTTPVHFT-YYHKSVKZSA-N 439.607 2.129 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2ccccc2OCC(=O)N2CCOCC2)ccc1Cl 481972463 NEDAMQZRAKWLPY-UHFFFAOYSA-N 435.889 2.250 30 10 IEEE COC(=O)CN1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 484186456 BNKMZLOIXIBWME-UHFFFAOYSA-N 432.531 2.025 30 10 IEEE COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 486491410 BPXGLOZYXLODIU-VQTJNVASSA-N 433.512 2.246 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 497579678 ZQSVFGRZEIQRGG-HNNXBMFYSA-N 431.583 2.362 30 10 IEEE COc1cccc(CC(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 503034717 SRDWXWALUSITPY-HSZRJFAPSA-N 429.517 2.170 30 10 IEEE CNS(=O)(=O)c1cccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 508205730 NHUOZRONQOBPFU-UHFFFAOYSA-N 428.514 2.219 30 10 IEEE Cc1c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1N(C)C 537222671 BNRGJPFHUFYRQH-UHFFFAOYSA-N 427.530 2.471 30 10 IEEE CCCCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1 538042941 RMRPPWKKKJHZAU-UHFFFAOYSA-N 444.561 2.079 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnc(CC4CC4)nc3)CC2)cc1 565120283 KQCVIKHPJXNZRC-UHFFFAOYSA-N 425.514 2.340 30 10 IEEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCC2)c1=O 571001818 UYRKQAYOEGKPJA-UHFFFAOYSA-N 447.358 2.003 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 580380021 VEHJUQMPDWZNDN-DYVFJYSZSA-N 441.504 2.273 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(F)c1 609256881 KUCCIIFPWJFKIX-UHFFFAOYSA-N 444.488 2.127 30 10 IEEE CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)C1 610178313 WXRLOYZBVKDFSQ-LAUBAEHRSA-N 432.590 2.148 30 10 IEEE N#CCN1CCC(NC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 611544560 WCHBMFMWQPKWTG-KRWDZBQOSA-N 427.553 2.415 30 10 IEEE CCOC1(C#N)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703984115 LXUTVXGGAAHOQT-UHFFFAOYSA-N 433.530 2.033 30 10 IEEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1-c1nnc2n1CCCCC2 732706194 KYJVQVNSDQNWRU-SFHVURJKSA-N 447.543 2.117 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O 734291539 TYNZLAPHWVNMHC-VOTSOKGWSA-N 425.470 2.004 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)C2CCOCC2)n(Cc2ccc(F)cc2)c1C 735947375 JDBVPPXQORLVCP-NRFANRHFSA-N 443.475 2.433 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCOCC2CCOCC2)C1=O 740617585 XEMDHJVHECBUAJ-IBGZPJMESA-N 444.557 2.459 30 10 IEEE C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1nnc(-c2ccc(F)cc2)o1 746136001 YTAWCHVCVCMSDG-GFCCVEGCSA-N 430.417 2.330 30 10 IEEE C=CC[C@@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757297640 LINDRTQCFKHUPM-YCRPNKLZSA-N 438.480 2.422 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 759946135 IHVJMERRJOBKEZ-FQELHTAISA-N 426.542 2.065 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(N2C(=O)N[C@@]3(CCSC3)C2=O)c1 771923268 XBQGUXMGKOORFX-SRMPHAGFSA-N 436.559 2.212 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c23)CCN1C1CC1 773248776 FDFFRWZNOWXVER-CQSZACIVSA-N 428.290 2.135 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)c1 784123674 FPNYVIJBWJWFFA-UYAOXDASSA-N 442.585 2.094 30 10 IEEE COc1cc(OC)c2c(c1)C(=O)N(Cc1c(C#N)c(C)nn1-c1ccccc1)S2(=O)=O 790032470 QIRJQQVEIBJMBC-UHFFFAOYSA-N 438.465 2.414 30 10 IEEE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(C#N)c(F)c1 791240219 XBACMKGHGWANNS-APPDUMDISA-N 426.853 2.122 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C[C@@H]2CCCC[C@H]21 793195158 HLZMFXGULBCSPH-JQHSSLGASA-N 445.541 2.218 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)cc1F 794602381 AJMQGIJGNFDOTF-INIZCTEOSA-N 438.480 2.438 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2CCN(C(=O)OC)CC2)C1=O 795181273 AFEMETVOPDPGRE-KRWDZBQOSA-N 443.529 2.104 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CCN1C1CC1 799252513 GTSVPBLYPKQSEK-JTQLQIEISA-N 429.677 2.379 30 10 IEEE C#Cc1cccc(NC(=S)NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 807969421 QVVJIAINOCFBAI-UHFFFAOYSA-N 437.344 2.398 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ncccc3C)n2C[C@@H]2CCOC2)n1 812415531 HJBHHHHZQVMLEV-IBGZPJMESA-N 435.532 2.168 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 920319373 AFQMDOLWOXEIQL-VVQWATRPSA-N 440.525 2.110 30 10 IEEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 1083974966 KPGFDOMOMSOVDE-UHFFFAOYSA-N 439.501 2.248 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)c(OC)c3)n2)s1 1083983469 GZNMVVKMAUEFHS-UHFFFAOYSA-N 448.534 2.413 30 10 IEEE CCCCC(C)=NNc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1 1084222134 JYKREZMPEJGDMG-UHFFFAOYSA-N 449.585 2.301 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)cc1 1084516222 VBHNNRBXNDYOQO-UHFFFAOYSA-N 442.461 2.091 30 10 IEEE COc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)ccc1C#N 1128641424 GCDHPEOGNHWLBB-LJQANCHMSA-N 425.460 2.153 30 10 IEEE Cc1cccc(CN2CCO[C@@H](CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)c1 1132371251 CPSVFRXFELDKSD-GMAHTHKFSA-N 432.524 2.237 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)COC1 1144281345 OFCFFWICKVOLAK-UHFFFAOYSA-N 428.533 2.323 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC(c4ncc(Br)cn4)C3)CC2)o1 1152638289 YHMPDNKWVYDNER-UHFFFAOYSA-N 431.294 2.250 30 10 IEEE CN1C[C@H](CCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1155628344 FIMGSTLZGOIRTQ-UZLBHIALSA-N 426.517 2.377 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 1162003440 SOLZHKUSESDOCO-WBVHZDCISA-N 435.546 2.021 30 10 IEEE Cc1cc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C#N 1166392643 GUVQJNAGINFTLS-UHFFFAOYSA-N 445.566 2.296 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(C#N)CCCCC1 1167053528 UPPUVXFEMQCSMD-KRWDZBQOSA-N 439.965 2.463 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)nn1 1175845626 NRPQOLLZPWDDAR-UHFFFAOYSA-N 440.504 2.415 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC[C@@H]3[C@H]3CC[C@@H](COC)O3)n[nH]2)c1C 1178597809 JOWONZJDSGMYPB-PWIZWCRZSA-N 429.521 2.111 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1196073964 NKQTUSKNMKRBTO-MRCXROJRSA-N 435.493 2.343 30 10 IEEE C#C[C@H](NC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1)C1CCOCC1 1253347323 CMQFWRZWIYXZSC-KRWDZBQOSA-N 443.573 2.269 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286387455 QVFXQFXJDQOBLW-HXUWFJFHSA-N 437.569 2.461 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cc2c(cc1OC(F)F)OCO2 1286406768 HHCDUPMZTAQRJV-UHFFFAOYSA-N 440.410 2.130 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCc2nccs2)CC1 1286494259 LBUBMTLRUFDZNK-QGZVFWFLSA-N 428.562 2.185 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)C1 1286801361 XZNLIQLSVVXSSO-HZPDHXFCSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COCC)C1 1286816359 JXATUMNTIFJQEV-HNNXBMFYSA-N 439.969 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC(C)(OC)C1 1286816373 HZCDQWFURHFVJZ-UHFFFAOYSA-N 427.530 2.319 30 10 IEEE C=CCSCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1286837404 WXKTUFYUQRGNKL-QFIPXVFZSA-N 449.621 2.298 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCOCC1 1287596793 AKUYAHOLPICZNI-UHFFFAOYSA-N 425.537 2.388 30 10 IEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1287908164 IFJZRNBLJKEOBB-SFHVURJKSA-N 439.564 2.126 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1290319625 MHIKWEIIKMLLLI-LJQANCHMSA-N 449.596 2.120 30 10 IEEE CCN(CC)C(=O)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1295329711 VZHMXEGGUZBQEI-DJPFJPOOSA-N 436.532 2.093 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1297605035 CMVDIUMKCJLBQA-QFIPXVFZSA-N 437.592 2.315 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCOCC1 1298802238 ZFSCWUGOBYQTQI-OAHLLOKOSA-N 435.326 2.201 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1299187119 QZCCFYJLRNVOAS-SFHVURJKSA-N 432.532 2.238 30 10 IEEE CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)CC(=O)O[C@H]1CCOC1 1300012619 ADKYUUOTQNPXQT-ZVDOUQERSA-N 441.528 2.412 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1300371490 UEGKHHZOIORILP-IBGZPJMESA-N 436.564 2.099 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1300916281 VZPGQYGAEJRWMW-JKSUJKDBSA-N 449.543 2.467 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1301475050 KWVQLDSCDLZOFS-KRWDZBQOSA-N 426.521 2.313 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC)CC1CC1 1301496960 KSBFFIWRCUEEGR-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](C)[C@@H]1C 1301593650 RWAAGYIXWMRXNH-DLBZAZTESA-N 438.623 2.071 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1301594489 DUGZRUGUZHEFAR-NVXWUHKLSA-N 443.639 2.060 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCC(=O)N1 1301772687 NJUBHBZBGPRXQQ-LJQANCHMSA-N 431.500 2.143 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O 1311323209 YHGCWDYONVQLAG-UHFFFAOYSA-N 426.473 2.109 30 10 IEEE COC[C@H](F)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315818453 ZWDXJRNGDKTFGR-FUHWJXTLSA-N 436.495 2.306 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1316170710 BAMAXLVEWHUDGF-RWNPKEDZSA-N 444.536 2.075 30 10 IEEE CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2cccc(CO)c2)N=C1C 1317745654 URQINJYHCUDDTQ-KRWDZBQOSA-O 430.550 2.441 30 10 IEEE C#CCN(C(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1318977934 VEYZRFPNTDCJSW-IBGZPJMESA-N 436.537 2.359 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCOC2)cc1C 1329604492 WVVQDFLYVATZAS-NQIIRXRSSA-N 449.559 2.360 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)c1 1356233657 IAGMTLQMGGKOEJ-HXUWFJFHSA-N 437.521 2.337 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CC 1359025591 TVQQGCUJSCMQKU-NQIIRXRSSA-N 425.533 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2nccs2)CC1 1359044562 IZMGPGDAZPSKGX-GOSISDBHSA-N 442.589 2.227 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359053911 DPNPOSIDNOTIND-AZUAARDMSA-N 426.590 2.254 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359056926 NXTXZSLXRVGSBB-HNNXBMFYSA-N 445.511 2.043 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCOC2)CC1 1359169466 IXYFOTGFZMWTJZ-JKSBSHDWSA-N 433.553 2.357 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1359291173 HJRHDQLXQAQRSN-AWEZNQCLSA-N 432.475 2.292 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCC(=O)N2)C1 1359324101 CQAJCTJMGDVGTN-UYAOXDASSA-N 425.533 2.132 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1360405776 BZOMCILGAYIWEU-WOJBJXKFSA-N 438.532 2.401 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc2cccc(Br)c2[nH]1 1462706243 GCPOXKZIVITWJB-UHFFFAOYSA-N 434.275 2.003 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1=O 1467662367 WRNHCSXSXZKKIL-GOSISDBHSA-N 444.941 2.454 30 10 IEEE CN(CCCN(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OC(C)(C)C 1469050841 IETHMHZAHFBGAI-UHFFFAOYSA-N 427.498 2.452 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccc(Br)cc3C(F)(F)F)C2)c(=O)nc1O 1472370022 ANFQYWBUNSGWCH-UHFFFAOYSA-N 443.179 2.299 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCOC1 1502636531 YRBLMUVOOUGTPD-REWPJTCUSA-N 441.532 2.244 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1504386943 FOTWUAJDUBCRQT-GOSISDBHSA-N 438.532 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCN(C)CCOC 1507643074 GLPWDAGRBNCQBZ-UHFFFAOYSA-N 430.350 2.359 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1507873656 DHCXJBDPWAEUDA-DYESRHJHSA-N 437.972 2.425 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1508105150 LTFHDTRVAJYJTC-QHCPKHFHSA-N 441.532 2.025 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1508390692 XERYNBJZPUBDGY-UZUQRXQVSA-N 438.532 2.117 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)N(C)C 1510426181 HMAJHNWZQKDQAI-HUUCEWRRSA-N 432.598 2.235 30 10 IEEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1515587340 DXAMLMGOOALMRS-GOSISDBHSA-N 439.564 2.128 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1([S@](C)=O)CC1 1516617988 GUFUCMOXTAQVIT-JJCDCTGGSA-N 429.546 2.175 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1 1516825196 HHTZTDLAFJMSRU-OAQYLSRUSA-N 445.593 2.066 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCCC1=O 1519276316 HZEOHYMIKCMGCV-UWJYYQICSA-N 436.532 2.237 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCO[C@@H]1CCCC[C@H]1C 1519450624 QXYAUNCGUUEWJE-IVDHNXQLSA-N 433.553 2.326 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 1528728772 WOVYGYGESSYPRO-OAHLLOKOSA-N 431.432 2.024 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2c(Br)cnn2C)cc1 1534146502 IBXAMLQKNSKAED-ZHZULCJRSA-N 440.323 2.248 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1539212572 QVOYWCYUPRPHKN-GOSISDBHSA-N 433.578 2.205 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc([C@@H](C)O)cc2)CC1 1539427326 ATWCHMXXRPGLFT-GOSISDBHSA-N 438.576 2.053 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccccc2F)CC1 1539446097 QIDBFWVHKMLEMM-IBGZPJMESA-N 442.564 2.057 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 1539474174 KTPMWSRCEBLPMP-UHFFFAOYSA-N 429.484 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1539670276 ZRMIYABTZGHFDU-QGZVFWFLSA-N 441.561 2.212 30 10 IEEE C=CCC(C)(C)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1539928746 HAWRHAIMAVVCNJ-OXJNMPFZSA-N 426.583 2.156 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1540873494 ZPIUKUULBFABLL-QFIPXVFZSA-N 445.571 2.277 30 10 IEEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1541854221 REAXNIUUBHCMOX-IXDOHACOSA-N 434.541 2.156 30 10 IEEE CN1CCn2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2S1(=O)=O 1544056242 BYZYTRZXRHYOCR-UHFFFAOYSA-N 437.481 2.220 30 10 IEEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1546337520 QYPDGIUYXHHBNP-WMLDXEAASA-N 438.550 2.359 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1559962534 REGLJDUUWRGDNZ-QGZVFWFLSA-N 435.368 2.174 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n(Cc2ccccc2)c1C 1560122913 KNFBGKOYMVKBRR-WOJBJXKFSA-N 440.569 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(C)c1C 1588574211 AIMYRDKFUJNBIJ-UHFFFAOYSA-N 435.532 2.323 30 10 IEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589366332 BWEYQWQTZYEFRE-HNNXBMFYSA-N 435.326 2.009 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1589658367 ZNGFZFHFKQDTCX-XMSQKQJNSA-N 430.574 2.417 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)COCCO1 1595302993 JEMITAMCOVSUHA-DENIHFKCSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(COC)CC1 1595577103 IZMKCQYZSPHLLR-UHFFFAOYSA-N 438.532 2.284 30 10 IEEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)N1CCCCC1 1597751395 DUFJIXSIHZGCGW-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCc2cnn(C)c2)CCOC1 1616202544 IFKQPDDQYBOGPP-QFIPXVFZSA-N 427.553 2.427 30 10 IEEE COC(=O)CN(CC#N)C(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1 1618330042 LFNQBNGZATZLRW-UHFFFAOYSA-N 436.534 2.471 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1619769328 XSCGGPXWIRRNCR-ACJLOTCBSA-N 439.358 2.429 30 10 IEEE CC(C)(NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1cccc(C#N)c1 1620413580 BBNDXBPRASQOKQ-DEOSSOPVSA-N 433.512 2.357 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 1625675965 GGDZJMWOZFKZLF-LJQANCHMSA-N 428.533 2.319 30 10 IEEE C[C@H](CC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 1627741390 PGGVTVDBGGJUNM-CYBMUJFWSA-N 444.513 2.493 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1627790234 LXAZUJKXCFVIFI-ROUUACIJSA-N 437.456 2.401 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 1632437089 UCRUXRKPERDRNZ-AFAVFJNCSA-N 430.306 2.350 30 10 IEEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1632885109 PZISZOKIEFPCFA-SJCJKPOMSA-N 441.431 2.359 30 10 IEEE CCC1(N2CCOCC2)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1634889964 SXDKBYPCIDWSHI-UHFFFAOYSA-N 433.574 2.481 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1641604589 QVIXISZNTZEOMD-GMBSWORKSA-N 441.500 2.214 30 10 IEEE Cc1cc([C@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c(O)cc1Cl 1642091238 ZKVVDTFLCITUPC-ZDUSSCGKSA-N 433.917 2.409 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3cc(C(=O)OC)ccc3C2)ccc1F 1644663466 TWNIRABKEFTUHG-UHFFFAOYSA-N 432.473 2.275 30 10 IEEE C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)[C@H]1CCCc2ccccc21 1652652933 DBQOULAYWRAZRA-UZLBHIALSA-N 428.558 2.243 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CC(=O)N(CCC(F)(F)F)C1 1662033831 CUCWZCDYEIFLMF-UHFFFAOYSA-N 426.214 2.064 30 10 IEEE O=C(NCc1nnc2n1CCOC2)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682017104 WZNVKCLBOWAOTA-YUMQZZPRSA-N 449.302 2.121 30 10 IEEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1689923107 LDKMUDNEEDQRSJ-SIKLNZKXSA-N 437.592 2.076 30 10 IEEE C#CCCCn1c(N(C)Cc2ccc(S(C)(=O)=O)cc2)nnc1[C@]1(OCC)CCOC1 1689941366 NRXPCCRXIVOKEH-QFIPXVFZSA-N 446.573 2.384 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689987647 AAUGKMUYSMMFOA-GOSISDBHSA-N 432.521 2.390 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1689992341 JPMUOFDVKMNONS-MRXNPFEDSA-N 433.578 2.437 30 10 IEEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690477774 HEFJNMRLYOICAE-GOSISDBHSA-N 431.504 2.315 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690667954 NPIZHSFLTHUGKD-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(C)C)CC1 1690676229 UEAVGMRXBYNMQC-UHFFFAOYSA-N 430.528 2.219 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)C1 1692844975 SZRRBPWAGOSXJO-JOCHJYFZSA-N 430.553 2.230 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(OC)c1 1696332950 VGWITLASUANBGH-UHFFFAOYSA-N 433.516 2.465 30 10 IEEE COCc1nocc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C#N 1697837041 NXRYAXOGNGTUHJ-ZDUSSCGKSA-N 429.506 2.048 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H](COC)OC)c1 1705506040 YFXSMJPKRWMUHF-LJQANCHMSA-N 434.500 2.058 30 10 IEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705526225 CJMVXIVEYYQELY-LJQANCHMSA-N 440.573 2.338 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705564282 BNXIGGCDEYOPMB-OALUTQOASA-N 433.622 2.293 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705569839 KKYJEYJFHDIPTK-QUCCMNQESA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC 1705583109 QEAJULULFJVPFW-SFHVURJKSA-N 431.537 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ncccc1F 1705590075 AULOBVBBIZLOFB-QFIPXVFZSA-N 427.480 2.006 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC=CO2)CC1 1705650290 OKZJFAHZNBVJRU-IBGZPJMESA-N 440.573 2.292 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1705877973 GJYRPEZDPPERKF-OALUTQOASA-N 436.560 2.379 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705903444 WLSPYKZSRSARLR-UHFFFAOYSA-N 428.581 2.467 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](OCc2ccccc2)C1 1705907790 XPLFPBOVCHVCSU-NRFANRHFSA-N 449.559 2.237 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1705913816 YSCYTXRTXSUEDK-IBGZPJMESA-N 449.577 2.070 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1706074181 WPQJJPKRJGDDKH-HNNXBMFYSA-N 441.536 2.250 30 10 IEEE CCOc1ccc2c(c1)CN(c1nnc(CC)n1CCN/C(O)=C1/N=CC=CC1=O)CC2 1710548010 ZVTBVHQJAOLXOY-DQRAZIAOSA-N 436.516 2.328 30 10 IEEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)(C)C)CC[C@H]21 1711243078 CVBZCZSDODFVFC-RBUKOAKNSA-N 449.559 2.179 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722314184 JGFYXTXCQWJJLG-UHFFFAOYSA-N 437.548 2.026 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCN2CC)CC1 1722442515 YMKSJCVBXDPPNK-HXUWFJFHSA-N 438.576 2.105 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722627737 NKQCOCASCVAPMI-IBGZPJMESA-N 446.502 2.427 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1722628652 ADTOEWDVZZSEFY-VQTJNVASSA-N 446.573 2.351 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1722765894 SWLKCPSEDREZHT-IRXDYDNUSA-N 444.486 2.134 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1722869300 HYEXUZGNIMYABN-IBGZPJMESA-N 425.581 2.010 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCn1cc(C)cn1 1727002844 IFOJTAYHFMUDAG-QGZVFWFLSA-N 436.568 2.237 30 10 IEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1728800920 BJEVYQIVBVECJB-DHIUTWEWSA-N 438.532 2.207 30 10 IEEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOCC(F)F)CCN2C1=O 1729593743 BQHKRPXIXKIBJE-KRWDZBQOSA-N 445.474 2.045 30 10 IEEE CN1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1729599845 BXZZXIUMEZQZNH-RTBURBONSA-N 448.637 2.431 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1730700316 GHPYRDMHQNTTPI-UHFFFAOYSA-N 448.487 2.483 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1730842263 SSFLFLUTEHMTNA-CYBMUJFWSA-N 443.426 2.409 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(CC)n1 1740637692 AXVMXOMZOGZNJY-UHFFFAOYSA-N 443.536 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccs1 1740639870 GMSMGTOMNYRHNK-INIZCTEOSA-N 442.545 2.164 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2N(C)CCCC2(C)C)CC1 1740698991 RVYZXOTWRFATTE-OAQYLSRUSA-N 438.624 2.015 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccccc1 1740985272 FLHJHGAGCOHPOV-QGZVFWFLSA-N 431.562 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](COC)C1 1740987221 CKNJKZAEJOIIEC-QGZVFWFLSA-N 446.529 2.144 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)on1 1740988320 AMBBWSCUQFLPQL-UHFFFAOYSA-N 426.502 2.350 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)OC 1744165748 JXLAUANTJMSIOC-CMKODMSKSA-N 438.532 2.211 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1748106494 OPAXNPMUXJVYEC-WMZOPIPTSA-N 432.532 2.094 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1748846281 FWCGZYRRRVEOPZ-DHIUTWEWSA-N 433.556 2.237 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCc1ccccc1 1749073014 CDFVLYLSRPTIFZ-RUZDIDTESA-N 445.571 2.491 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1749120787 HLSUDTWKKYLXPQ-UYAOXDASSA-N 440.548 2.396 30 10 IEEE COCCCOc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1749742194 DXBWEZFGSGWSMC-VQTJNVASSA-N 427.505 2.322 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@@H]2CCCCO2)CCOC1 1751026743 QMMNVHBPSDOOJM-CNNODRBYSA-N 433.553 2.397 30 10 IEEE CC1(C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1751298187 QAKOABLNTLGSSY-QFPXGYFVSA-N 446.577 2.030 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1760165504 UYCHOCGKEXLSOK-QHCPKHFHSA-N 438.532 2.332 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1CCCO 1760241784 JOHIKDDXRGNWTQ-UNMCSNQZSA-N 441.551 2.408 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(COC)CCC2)CC1 1760262043 YKTJQDJKUROABC-UHFFFAOYSA-N 425.581 2.102 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2nnc(C)s2)CC1 1760263100 NVDGQSXOPZBNEY-UHFFFAOYSA-N 442.618 2.182 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@](=O)CC)CC1 1760267007 QVBIPILRILLGFW-SSEXGKCCSA-N 447.992 2.333 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760371474 AQGWAAGMFNPADL-UHFFFAOYSA-N 442.911 2.150 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760373082 GPIYHBMNYWBKMC-QGZVFWFLSA-N 446.914 2.473 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760421319 LHDCTGOSYHBGTM-UHFFFAOYSA-N 442.568 2.206 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1760455624 UNMNPIOOKBXMLP-NRFANRHFSA-N 434.562 2.199 30 10 IEEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N1CCOCC1)C1CC1 1760476294 MSRPIOXGRGJUMF-UHFFFAOYSA-N 425.533 2.488 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760532521 WWYVPROHJXNOAR-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1760695753 MZPXICBOEYADPE-UONOGXRCSA-N 440.620 2.415 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1761360187 HRTPOFHSRSGQNF-DZGCQCFKSA-N 449.357 2.407 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)C1 1761545835 JMRNYBPDEOBOON-HRAATJIYSA-N 444.561 2.205 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1C[C@@H]1C 1762292595 WGDBXGHZIGRVGR-WMZOPIPTSA-N 436.564 2.446 30 10 IEEE CCc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1Cc1ccc(C#N)o1 1763053923 ZMFYONZCIUUEIM-SFHVURJKSA-N 432.550 2.184 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 1765870437 DPQCJGJANSDPJR-JOCHJYFZSA-N 432.569 2.365 30 10 IEEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1767490662 BWJIDVJJHPFHCZ-KRWDZBQOSA-N 437.470 2.287 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1769386975 FYUUKYWQRGZYBS-LAUBAEHRSA-N 427.530 2.074 30 10 IEEE COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769713771 UWROEDYRBYVEQR-IBGZPJMESA-N 447.499 2.411 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1CC1 1770044350 MDUYLMPYVJASBA-SJORKVTESA-N 440.552 2.179 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CC1 1771535509 PTYMEHHDUUPKAG-GOSISDBHSA-N 429.546 2.389 30 10 IEEE C=C1C[C@]23C[C@@]1(OC(C)=O)CC[C@H]2[C@@]12C=C[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)OC 1848432659 IIIWPXACKNAFED-AQNKVSLWSA-N 444.480 2.257 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(COc3cccc(C#N)n3)CC2)cc1 1848758309 MTCUYEARFQSMBM-UHFFFAOYSA-N 428.514 2.135 30 10 IEEE C=CCN(C(=O)C1CN(S(=O)(=O)C2CC2)C1)c1cc(C(F)(F)F)nc(SC)n1 1852104810 OQFNAHFITARGRM-UHFFFAOYSA-N 436.481 2.160 30 10 IEEE Cn1c(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc2ccccc21 1854401552 RQQAEPKDKVBUEY-UHFFFAOYSA-N 428.514 2.019 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1(C)C 1856109637 LSKUTHLMPRUNKV-IBGZPJMESA-N 433.574 2.255 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(C(=O)O)cc2)c1 1862702222 XKBJSLBTKULZSI-IBGZPJMESA-N 438.436 2.108 30 10 IEEE Cc1ccccc1-c1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)n(C)n1 1889516786 JBBSEVBZXBUMFK-UHFFFAOYSA-N 449.599 2.268 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c1 1890113094 KDHLUSAWIBRKES-UYAOXDASSA-N 440.525 2.095 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1891693136 MCHLGKVRGXUMCG-WBVHZDCISA-N 430.448 2.109 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 1892275239 OEIYEENETAJYMZ-GOSISDBHSA-N 432.480 2.031 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2018698883 UTHIRGJMIYAKPM-GFCCVEGCSA-N 427.361 2.229 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1(C)CC1 2060635076 HRQGGVFAXASOQM-AWEZNQCLSA-N 432.330 2.408 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2ccc(C#N)c(Br)c2F)C1 2118207376 JXZKEQDLHVYPTR-UHFFFAOYSA-N 427.274 2.371 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124520211 SEDKCHCVDZXTRV-CQSZACIVSA-N 447.345 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2124531357 DAAAMWHWWAKFFH-OTHNOENXSA-N 444.341 2.264 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124541372 RXJALEIDGLQOCG-GOSISDBHSA-N 445.369 2.475 30 10 IEEE C#CCn1ncc(N[C@@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162329762 LMLRXZPTXCHRKJ-CHWSQXEVSA-N 441.326 2.123 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)C1 2247565983 ZQDSYUHRAHZRDU-TXCIGDHXSA-N 431.455 2.351 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)B1OC(C)(C)C(C)(C)O1 2247985617 KCZLEMFHHMITBL-MUJYYYPQSA-N 442.387 2.206 30 10 IEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255366698 JBKDMXNLVYOCPN-INIZCTEOSA-N 433.358 2.453 30 10 IEEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255619875 TWKKSDYMKZDXFW-KBPBESRZSA-N 434.346 2.084 30 10 IEEE CCN(CCCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2255655331 KZECCNZGLHPXCM-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2255695999 NUDFOOUDJBIZCC-HZPDHXFCSA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258953363 BWSDEBSXYHCLTF-KRWDZBQOSA-N 435.374 2.117 30 10 IEEE CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258962840 LSGMJLDFDQCVOH-MIRVZWSXSA-N 436.358 2.447 30 10 IEEE Cn1nc(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267137110 KOWIBICJLSBXBG-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE C[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2267367659 XBMHYWARHSWFDW-ZDUSSCGKSA-N 431.385 2.115 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CCC4(CC3)OCCO4)s2)OC1(C)C 2267367777 YPPULRUHKNJLGN-UHFFFAOYSA-N 429.369 2.011 30 10 IEEE Cc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267492898 DXUJFTZXHBORMY-LJQANCHMSA-N 438.381 2.422 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267502507 OTYQWQAJOSDPQQ-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267586899 QGCZLPPMQNYXKQ-CYBMUJFWSA-N 441.259 2.054 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268654996 GSYWXNIXONRERI-YOEHRIQHSA-N 446.353 2.149 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H]3CN(c4ccc(Br)cn4)C[C@@H]3C2)cc1 2297739401 ROFIPDFCZNBUDE-HUUCEWRRSA-N 433.331 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](N)C#Cc1ccc(Br)cc1 2313944042 TZPDJKBUNIBBQI-GJZGRUSLSA-N 431.352 2.066 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)n1 2315390238 MGQNROMYFMQUBA-KRWDZBQOSA-N 435.374 2.353 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)[C@H]2CCN1C2 2368602162 RTWVLAMZTRBRQK-WDEREUQCSA-N 446.086 2.476 30 10 IEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)OCc3ccccc3)n2N)cc1 20913638 JKQMGHFYAYZTLJ-SSDVNMTOSA-N 440.485 2.060 30 10 IEEE COc1cc(NS(=O)(=O)c2ccc(/N=C/c3cccc(O)c3O)cc2)nc(OC)n1 59461107 WDVMWMDDQVKCJT-RGVLZGJSSA-N 430.442 2.456 30 10 IEEE COC(=O)c1ccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCCCO)C2=O)cc1 105534544 KIVSOIYJTZCKTK-SFHVURJKSA-N 441.509 2.498 30 10 IEEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)c2ccccc2)cc1 254737689 WEASYKWSJCLVHD-KRWDZBQOSA-N 434.456 2.024 30 10 IEEE Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(C#N)c(Br)c3)C2)n(C)n1 433352722 JWYAPQXCQUWXHL-AWEZNQCLSA-N 438.351 2.310 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1sc2c(c1C#N)CCCCC2 441220124 SERDJUHZSOTPKV-RGCFKVTRSA-N 445.541 2.252 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCCc3c2cccc3S(N)(=O)=O)cc1C(F)(F)F 443371373 HEYDHFJVWFGJOO-UHFFFAOYSA-N 445.444 2.366 30 10 IEEE N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 465396591 DKUOWVPLQZPJLL-UHFFFAOYSA-N 437.880 2.263 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cn1 466970838 ITSWHLVHEKQEOR-CQSZACIVSA-N 443.460 2.494 30 10 IEEE Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 471107360 PFIFVVBSQBEZKL-MRXNPFEDSA-N 443.451 2.262 30 10 IEEE COC(=O)C[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(F)c1 476099847 BRCRNDIQHCRQTI-OAQYLSRUSA-N 447.488 2.226 30 10 IEEE COc1cccc(-c2nc(=NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s[nH]2)c1 487199433 OFOIURPUZYBPGR-SFHVURJKSA-N 448.508 2.430 30 10 IEEE CN1CCN(c2ncccc2CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 508108774 GIAYICMWJXNTAR-UHFFFAOYSA-N 434.544 2.458 30 10 IEEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2F)s1 510703849 SNGUFSJTWDSEGL-GHMZBOCLSA-N 425.511 2.194 30 10 IEEE CCc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cnc2c1c(=O)n(C)c(=O)n2C 513779625 HXWKFTKZMCYBHE-OAHLLOKOSA-N 446.294 2.496 30 10 IEEE CCOC(=O)c1sc2ncn(CCS(=O)(=O)c3cccc(C#N)c3)c(=O)c2c1C 513784551 UCLCMEZICYUUJM-UHFFFAOYSA-N 431.495 2.289 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 525016211 JUYFSQAZHBJHCK-WMZOPIPTSA-N 431.464 2.473 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 555269661 ZNPYZBLEHFLCHZ-ZFWWWQNUSA-N 435.554 2.109 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)CC2)c1C#N 556987350 XVZXYIHYNLUZRY-PZJWPPBQSA-N 434.544 2.091 30 10 IEEE N#Cc1ccc(OC2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)cc1 559101523 MPWGARQOULKMKW-LEWJYISDSA-N 439.516 2.464 30 10 IEEE N#Cc1cccc(CNC(=O)C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)c1 559723238 HVNXDMFIAGPVMJ-UHFFFAOYSA-N 441.329 2.281 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)CC1 561394686 DUERSHDEQSWYOU-UHFFFAOYSA-N 429.908 2.351 30 10 IEEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COCCOC)cc2)c1=O 570598652 BPEYDWCUGKDXFS-UHFFFAOYSA-N 440.565 2.355 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccccc2C)nc1C 586348197 JRZCPFDPIOWYIP-LJAQVGFWSA-N 435.527 2.429 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 608827077 XIAFFJFMNIVUAV-GXTWGEPZSA-N 447.538 2.177 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 669816556 XCLKSFQAQLVJKY-INIZCTEOSA-N 443.895 2.317 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 727120586 NECLEEGIFZZEIE-QYZOEREBSA-N 434.581 2.001 30 10 IEEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730140214 DWIMGTDRQORAFS-PKOBYXMFSA-N 432.590 2.482 30 10 IEEE C[C@H](c1ccccc1Cl)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732466602 PPFLKOCWCLMMBG-MVZUJROASA-N 431.924 2.255 30 10 IEEE CN1C(=O)C[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccc(Cl)c1 734704637 UAAFVUSWASSOFB-IEBWSBKVSA-N 431.901 2.377 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1OC 736273223 XQDWJBUXCIBBFO-JKSUJKDBSA-N 426.535 2.259 30 10 IEEE COC(=O)c1coc(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2cc(O)cc(Cl)c2)c1 738009629 WFGBKJSAISHRAC-CQSZACIVSA-O 439.897 2.420 30 10 IEEE C[C@H](C#N)CN(C)C(=O)C[C@@]1(C(=O)N(C)C[C@H](C)C#N)CCN(C(=O)OC(C)(C)C)C1 746155235 GJKRYTPZPLTRHN-YVHKJVDXSA-N 433.553 2.240 30 10 IEEE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 746200971 FUWSYXALMDCNGM-PXFSWQRTSA-N 439.516 2.037 30 10 IEEE COc1ccc(Cn2ncc(C)c2NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1OC 746214716 AKSCODACDUTAKA-LSDHQDQOSA-N 439.472 2.112 30 10 IEEE COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C#N 746958634 BQIZOHQYXAZIHM-UHFFFAOYSA-N 434.445 2.084 30 10 IEEE COC(=O)C1CCN(C(=O)CON=C(N)c2ccc(COc3ccccc3F)cc2)CC1 748795867 HGJUKVCLYPVECC-UHFFFAOYSA-N 443.475 2.453 30 10 IEEE CC(C)CN1CCO[C@@H](CNC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 749778751 LYCRUSYWPITACG-IBGZPJMESA-N 447.536 2.019 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)ncn2)c1 756868872 RBYNPNITZKVUEF-IBGZPJMESA-N 440.573 2.293 30 10 IEEE C#CC[C@@H](NC(=O)[C@@H](COC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757324971 FSDQHZDNWNFNEO-NHCUHLMSSA-N 436.464 2.133 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cccc(C=NNC(=S)NCCN3CCOCC3)c21 757560830 OMTXPSVMYFUQNY-UHFFFAOYSA-N 433.578 2.114 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCCN1C(=O)OC(C)(C)C 764664972 KMXUJFFUNLRGFR-WZONZLPQSA-N 426.517 2.486 30 10 IEEE C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 767678710 AWSHJSCNDLKBDC-CQSZACIVSA-N 444.937 2.445 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 777761910 QZTFJHCOTSWPJG-SJLPKXTDSA-N 428.537 2.430 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CC(C)C 781648271 DSUKQYAIAMDEFK-UHFFFAOYSA-N 442.585 2.006 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2scnc2C2CC2)c1=O 782794068 YAHISBITEDTJGT-UHFFFAOYSA-N 447.541 2.271 30 10 IEEE C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@H](O)c1ccc2c(c1)OCO2 806461589 TUMXIZSGVOWFPF-NQCMUKECSA-N 431.470 2.345 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 809896449 MNCABFRXGKMOKO-QGZVFWFLSA-N 448.568 2.077 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 812182484 LOXJBNGFOMMQOL-KRWDZBQOSA-N 426.521 2.338 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F)C1CC1 814705255 YGHCYFNZKAIDQK-ZWKOTPCHSA-N 436.553 2.250 30 10 IEEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1OC 916934740 JJHIMQBWBUCNAW-KRWDZBQOSA-N 425.441 2.497 30 10 IEEE C=CCc1ccc(OCC(=O)NS(=O)(=O)c2cncc(Br)c2)c(OC)c1 920795714 NPOIQZIIKPMRTD-UHFFFAOYSA-N 441.303 2.465 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 1083994799 DPPPVCRNXAUIIT-GOSISDBHSA-N 437.529 2.429 30 10 IEEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2cccc(Br)c2)n1 1084068554 SACQLQALZPQTFX-UHFFFAOYSA-N 427.284 2.378 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CCC1 1116657057 UTBJZONRRLPYNJ-UHFFFAOYSA-N 428.495 2.176 30 10 IEEE CS(=O)(=O)N1CCC(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 1128147042 PQDQHSYPCMWNAR-UHFFFAOYSA-N 432.546 2.270 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2=O)cc1Cl 1131524017 RLYPGEHBDCIFBY-HNAYVOBHSA-N 443.912 2.350 30 10 IEEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(CCC#N)cc3)c2)CC1 1133971281 VXIVTPRCWOBJRE-UHFFFAOYSA-N 440.525 2.248 30 10 IEEE N#C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Br)cc1 1136161438 MONKUPPXRHEHDJ-HOTGVXAUSA-N 427.258 2.271 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1151443479 GNIGKMRMGBQTLT-VSTMEVCKSA-N 449.548 2.248 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1c(I)cnn1C 1152823358 MDAYHOHGWIOPKY-UHFFFAOYSA-N 440.289 2.001 30 10 IEEE CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 1154408411 OHGIBDQTTJSGNR-SFHVURJKSA-N 426.517 2.483 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C(F)F)on1 1155548044 PEOOOILZPVNRHO-CYBMUJFWSA-N 426.445 2.382 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)OC)c1 1160040641 RIMCSAJGKXHPPR-UHFFFAOYSA-N 430.482 2.424 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1171440817 UJOZRBOMDFWMRU-GJZGRUSLSA-N 445.944 2.083 30 10 IEEE N#Cc1cccc(CN2CCC(NS(=O)(=O)C[C@H]3COc4ccccc4O3)CC2)c1 1191951963 HJPDPPAALRLJBZ-HXUWFJFHSA-N 427.526 2.282 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2nc(Cc3ccccc3)no2)c1 1195916290 BXOUIIHZYVDLLE-UHFFFAOYSA-N 426.498 2.097 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](CO)c2ccc(OC)cc2)cc1 1214687401 POLBDOVSVNGRTD-KRWDZBQOSA-N 433.530 2.399 30 10 IEEE COC(=O)c1cccc2c1CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1225935940 BNWPLSLTUVAMMI-QAPCUYQASA-N 428.489 2.300 30 10 IEEE CCOc1cccc(CN(CCO)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1227630627 BTVVEFRXSTYDJI-QFIPXVFZSA-N 436.512 2.262 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1286357051 DPRNBXYILRVXNY-NRFANRHFSA-N 436.560 2.156 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1286388054 XFMDITMRKHMPJI-KRWDZBQOSA-N 427.555 2.385 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1286393762 RWHKTANBGBHHPW-WOJBJXKFSA-N 430.574 2.115 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)COC)CC1 1286472115 DZTSHNNDUABHOK-HNNXBMFYSA-N 435.370 2.084 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286507269 GIIWKXNIQJIHBR-UHFFFAOYSA-N 433.603 2.034 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1286570323 UZXBLCBPZJOPRK-FXAWDEMLSA-N 426.583 2.300 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286603736 JEPKVSGAUWLDDG-HXUWFJFHSA-N 435.532 2.450 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1286645172 XLZIUORUNSZQBT-OAHLLOKOSA-N 425.480 2.217 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1286722052 BBJBOOFKQSMAGJ-UHFFFAOYSA-N 448.531 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cnccn2)CC1 1286783009 KJZBNKURFAIHFZ-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCCC)C1 1286807885 HBPDIXHYIQNQCH-ZWKOTPCHSA-N 426.521 2.243 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1288716118 ATCSJDQAAXIVNM-GOEBONIOSA-N 431.541 2.130 30 10 IEEE C[C@]1(CCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)NC(=O)NC1=O 1291936949 QWRYRPZQMMXCGU-GOSISDBHSA-N 430.515 2.409 30 10 IEEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1293676812 XLOXGCQZZRSSBP-WHLIDYPQSA-N 431.504 2.315 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1297738920 HDYHOUCHSVWPSM-GOSISDBHSA-N 438.598 2.321 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(c3cccc(F)c3F)CC2)c1 1298105737 YPKVLPAHNRSSDY-UHFFFAOYSA-N 433.480 2.229 30 10 IEEE CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1299531796 FJFBNQSAUIAAJN-OAHLLOKOSA-N 445.955 2.303 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1([S@@](C)=O)CC1 1300595539 LSXXSHLIRNRIGC-SSEXGKCCSA-N 426.542 2.240 30 10 IEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@H](C)OC)CC1 1300697649 GBGASLFJWOPQLS-SFHVURJKSA-N 449.559 2.026 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300883927 GCRJQGXJOKAACB-FPOVZHCZSA-N 430.597 2.127 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1300920810 FVFHCTNGJMOTPE-UHFFFAOYSA-N 445.589 2.396 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301124720 KNNGKNWNPUZKFC-JLUOLNIDSA-N 426.521 2.101 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1Cc1ccccc1 1301578411 ABJUPMLJMSKEFS-FQEVSTJZSA-N 440.573 2.491 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1301587316 YNTBXRVSANZBRL-UHFFFAOYSA-N 443.573 2.155 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301596455 PPCBONOFZHHNGY-KRWDZBQOSA-N 434.610 2.126 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1301967432 DCTIUEXMCVNQLL-KURKYZTESA-N 430.578 2.301 30 10 IEEE COc1c(F)cc(CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1S(N)(=O)=O 1302873617 ARTRUPXXZUVISJ-QGZVFWFLSA-N 445.394 2.316 30 10 IEEE C#CCN1CCC(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1303791772 AYDDFZYNRIENHU-UHFFFAOYSA-N 432.318 2.039 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H](C)O1 1306448486 FNGFPAUOJBIYDH-GKBFQHABSA-N 441.532 2.272 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@@]23COCCN2C(=O)OC3)cc1OC 1308494694 MPFDFJKXNWYAPQ-SFHVURJKSA-N 427.295 2.333 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1OC 1315403431 SKMVNUIBPRZUQI-KKSFZXQISA-N 431.468 2.210 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCOC[C@@H]1OC 1316292173 XBOBVIWYDREEPF-NOYKIMNZSA-N 433.553 2.184 30 10 IEEE COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C#N)ccc2F)c(O)nc1=O 1350271554 CMOCGOPLPOBEON-UHFFFAOYSA-N 437.431 2.035 30 10 IEEE COCCN(C(=O)c1sccc1CC#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1354137759 YMYVZNLAYZXYGD-UHFFFAOYSA-N 439.497 2.000 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1358924829 KARNYGAGNRTFEH-UHFFFAOYSA-N 438.532 2.370 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCC2(C)C)CC1 1359040104 IIUBSJIPEGMEOF-IBGZPJMESA-N 440.592 2.306 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(=C)c2ccccc2)CC1 1359046818 GZADGDFDKVWHIQ-UHFFFAOYSA-N 446.555 2.080 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359051176 ODDFKCHYOYADKY-NRFANRHFSA-N 427.530 2.351 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359053126 CCTATYYMWGMNRT-HXUWFJFHSA-N 438.601 2.054 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCCOC)C1 1359089612 LTPVRXHZLRWUAR-AQNXPRMDSA-N 447.580 2.127 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359094062 WQJYQUWGXSWFFO-ZNTQHIFFSA-N 444.624 2.194 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1359221986 VNBORQNJPNANMR-QHCPKHFHSA-N 440.548 2.442 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N(C)C 1359265023 WFJLNASQFPSERG-MRXNPFEDSA-N 425.580 2.275 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359293833 BDZURNBWERFHRT-OXJNMPFZSA-N 435.532 2.499 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)C1 1359312555 WWTJIJWGOOUIJE-LJQANCHMSA-N 444.580 2.134 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359336526 STUFGNRWGBVFCZ-QGZVFWFLSA-N 434.610 2.174 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1359754297 BOKRHMKAVBXZOV-UXHICEINSA-N 427.505 2.005 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1438407989 DCBRLXQJLMSQDF-SXWKCWPCSA-N 426.517 2.001 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 1441398604 UDTFBUCMVANENQ-IBGZPJMESA-N 447.507 2.182 30 10 IEEE CC#CCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1446921566 FPZWTKWOPUODNG-UHFFFAOYSA-N 426.311 2.279 30 10 IEEE Cc1cc2c(NC(=O)[C@@H](C)N3CCN(C(=O)OC(C)(C)C)CC3=O)n[nH]c2cc1C#N 1452833523 DAZNIOZAMYMXCY-CYBMUJFWSA-N 426.477 2.149 30 10 IEEE C=C(Br)CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1464589476 WBOFDZJILKHFEJ-GOSISDBHSA-N 449.342 2.359 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 1465339944 BBBDNVZMURUPJN-UHFFFAOYSA-N 442.541 2.443 30 10 IEEE C=CC[C@H](CO)CNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1466522602 RLKBECZYDWPZFQ-QWHCGFSZSA-N 429.468 2.312 30 10 IEEE C=CCc1cc(CNC(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)cc(OC)c1OC 1468361084 HFLODPOKZRWGAC-UHFFFAOYSA-N 437.504 2.150 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1469871801 GPMPZWQWGCXRGT-VQTJNVASSA-N 447.582 2.150 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)CC1 1470367768 VPKKWGDXUOEPLB-UHFFFAOYSA-N 438.480 2.322 30 10 IEEE CCOC(=O)C[C@@H](C)CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1478361598 FTXYWASLMLISML-MRXNPFEDSA-N 426.521 2.456 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](OC)C(F)(F)F 1499307304 JLAPRIKGSATWGI-HZPDHXFCSA-N 436.438 2.499 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1503175912 VHHIXDXMMNXZCF-FQEVSTJZSA-N 440.548 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1507518960 OORFMGOSVIWSHU-HTAPYJJXSA-N 446.573 2.228 30 10 IEEE C#CCN(c1nnc(CC)n1CC1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632955 BTWKCFVHVTXTSB-HXUWFJFHSA-N 442.585 2.216 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OCC)c1ccccc1 1507669188 JAFVWJGDPJDBOC-RTWAWAEBSA-N 440.569 2.421 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2sccc2Br)CC1 1507723673 QDIOTPCUATZFJP-UHFFFAOYSA-N 444.362 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1507739859 LGKMFPHKLALOIM-KRWDZBQOSA-N 449.527 2.320 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCC2)C1 1507747708 IQQLUKWSTAFPDM-UHFFFAOYSA-N 446.598 2.474 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507756911 OPWBCGHNTVCLCT-QUCCMNQESA-N 439.585 2.494 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1507771518 BBRFDDNEYGWRGD-HRAATJIYSA-N 431.562 2.470 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1507851968 FLHBQERQUMRHGS-MOPGFXCFSA-N 443.573 2.346 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1507968538 UZZFSBFSSUQWJX-XLIONFOSSA-N 426.583 2.168 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1512539386 JZXOGPFRSODAKN-DPHDRGAJSA-N 442.907 2.350 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1515264217 DRXYFVLMEAHYGO-UHFFFAOYSA-N 441.553 2.196 30 10 IEEE COCCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1519374605 IQTQZNYKGCBLBC-KRWDZBQOSA-N 428.518 2.389 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1)C2 1530868480 RLMSKHVCMJKWBQ-QHCPKHFHSA-N 446.551 2.411 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)CC2(Br)Br)n1 1531363732 KGRMRVFGGKBILC-CQSZACIVSA-N 433.144 2.387 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCO[C@H]1CNC(=O)OC(C)(C)C 1536489296 BAOKCRBNMWZVMF-CVEARBPZSA-N 426.477 2.316 30 10 IEEE Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538540590 YXPXURUJNBTULJ-YWZLYKJASA-N 432.933 2.082 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCC1 1538975705 CCCUUFAPAGBOBI-OAHLLOKOSA-N 430.578 2.310 30 10 IEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539206659 UFEMAWAHRUNSEH-DENIHFKCSA-N 448.589 2.057 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1539229986 JSKLGZPDPIPMAM-CMKODMSKSA-N 446.548 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1539273340 PNYBVTLPCJCNCF-UHFFFAOYSA-N 445.571 2.153 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CCC2)CC1 1539440829 BNRCHEXYBHRNAS-UHFFFAOYSA-N 447.992 2.321 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1539722136 LRWOPSCWAJGUDE-QGZVFWFLSA-N 436.520 2.246 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2cc(CO)nn2)CC1 1539892119 RXOROZBSSNBNEZ-UHFFFAOYSA-N 437.548 2.454 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(F)cc1)C1CC1 1540861825 IBNIAEBCFHGQCY-UHFFFAOYSA-N 426.496 2.124 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1540891525 VZUHZENJLUIQPC-NJDAHSKKSA-N 433.597 2.310 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1541111660 OXEPTVJSVHSZOS-JKSUJKDBSA-N 429.550 2.179 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1nnnn1CC1CC1 1541805632 ULAPHMFYPLVDFO-ZDUSSCGKSA-N 427.463 2.330 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1552634190 VFBQQUKJWZQCGC-QGZVFWFLSA-N 449.602 2.495 30 10 IEEE C=CC[C@@]1(C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1567089465 HLAUUIXWKIXVAM-IBGZPJMESA-N 425.507 2.324 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccncc1C(F)(F)F 1568302299 KTTHWLGXPKEFAU-UHFFFAOYSA-N 426.420 2.236 30 10 IEEE COCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1570831168 KJRCTFIRAXYUCN-HXUWFJFHSA-N 427.526 2.329 30 10 IEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1584638255 UNMWRJARBAEHEG-UHFFFAOYSA-N 439.520 2.110 30 10 IEEE C#C[C@@H](NC(=O)c1ccc(I)cc1-n1cnnn1)c1ccccc1 1584693481 GTURZNSAGNIDEM-OAHLLOKOSA-N 429.221 2.371 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1nc(C2CC2)cs1)[C@@H]1CCS(=O)(=O)C1 1588060107 ZOQJMNWIJMSJOI-MRXNPFEDSA-N 433.603 2.486 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1588930048 MDCURWNBSYBPPX-RTWAWAEBSA-N 444.624 2.114 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1593777095 WDODNDSVSRZOPU-RTBURBONSA-N 432.569 2.305 30 10 IEEE C=CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1594767576 VDTJWMQBWPEMKM-XLIONFOSSA-N 426.583 2.298 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1595890369 RKHRLTVCORYVSO-IBGZPJMESA-N 428.606 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)C1 1607394134 FJSGJEFJCYIRIP-OAQYLSRUSA-N 439.560 2.291 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CC(=O)N1C 1612911977 UOYPGZVFMBNUKS-YLJYHZDGSA-N 438.532 2.069 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)c1 1622467916 VORWUVFTZHEJCK-NRFANRHFSA-N 443.569 2.090 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(CCO)C(C)(C)C1 1625329626 WYKVDWIJTPEDRB-HXUWFJFHSA-N 442.560 2.308 30 10 IEEE CN(c1cccc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1)S(C)(=O)=O 1627528866 PCGSVNHHIZLICK-UHFFFAOYSA-N 442.541 2.426 30 10 IEEE C#CCN(CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C(=O)OC(C)(C)C 1628706454 OUJQHWSKPPUPLO-UHFFFAOYSA-N 448.527 2.467 30 10 IEEE N#Cc1cccc(ONC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)c1 1635511197 VRUFRTRYBNZHOI-HNNXBMFYSA-N 435.527 2.269 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2c(c1)ncn2C 1638441776 HQRWHQOWCHCZOF-KRWDZBQOSA-N 439.541 2.487 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1639961719 GWLOMPXSEVGWFZ-NRFANRHFSA-N 427.526 2.151 30 10 IEEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 1641545556 GSVFSSAJIXWFQE-UHFFFAOYSA-N 432.521 2.217 30 10 IEEE CCOC(=O)C1CCC(O)(C[C@H](O)CNC2(c3ccc(C#N)cc3)CCOCC2)CC1 1648003707 AQAQXKGJDHQHET-SWCONJRYSA-N 430.545 2.389 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)O1 1648155572 LZFBDPAXNBKQGF-WMZHIEFXSA-N 440.569 2.092 30 10 IEEE C#CC1(F)CN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)C1 1651092242 JMSMKSIXYBTFJP-HOCLYGCPSA-N 428.323 2.226 30 10 IEEE CCOC(=O)[C@](C)(NCc1c(C#N)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 1654303489 UKJBAJCWZZTZEU-HXUWFJFHSA-N 431.470 2.438 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](c1ccc(Br)cc1)c1nccn1C 1663225274 CROAQUCYDJPDQC-IUODEOHRSA-N 426.340 2.340 30 10 IEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccnc1C(=O)OC 1668595739 UAFQURBXSCEGOC-QGZVFWFLSA-N 432.498 2.219 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)CC1 1677687376 AQLBPTBHBIIJJZ-UHFFFAOYSA-N 428.533 2.396 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C(=O)OC(C)(C)C 1682022226 WFYRWFMLGSHPFR-AYOQOUSVSA-N 441.532 2.356 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1689937435 ZTWPJKZQAWVMBQ-QFIPXVFZSA-N 438.624 2.158 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(F)(F)CC1 1690104473 XRTYXPADKDGCNA-INIZCTEOSA-N 430.521 2.092 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690106174 MZUAEMOGFFFXBV-NQIIRXRSSA-N 431.581 2.328 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690330183 CMHATIFRGGPMGP-MRXNPFEDSA-N 431.928 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(C)(C)C)CC1 1690724817 WYDPHPJRWYMCDN-GOSISDBHSA-N 439.626 2.431 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1692660751 FMDXLGYYHZMCPZ-SJLPKXTDSA-N 428.512 2.408 30 10 IEEE Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CCC(C)C)c(=O)n1C 1693085989 GEMZOXANWOSPTN-UHFFFAOYSA-N 439.564 2.336 30 10 IEEE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1693739589 CFODDBOPQDQRGA-LJQANCHMSA-N 434.610 2.042 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1697778079 WLEISXRDPWDRGX-RTBURBONSA-N 425.468 2.113 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCOCC1 1705479953 MSDQBSHGNAPIKT-JKSUJKDBSA-N 449.397 2.472 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705531457 KPEQXQPQXQPAKE-UHFFFAOYSA-N 429.528 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)c(F)c2)CC1 1705647583 HCVSGJDOXXLGCM-SFHVURJKSA-N 443.498 2.269 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705652807 OBZZFFMUMMVRAA-UONOGXRCSA-N 431.484 2.037 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705659514 YWGRYMYMDMKSQF-KRWDZBQOSA-N 430.622 2.091 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(N)=O)C1 1705698555 VZTWGTMHNFVPHG-ZENOOKHLSA-N 449.353 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705700092 OSOZCHBCAOAYHO-HCXYKTFWSA-N 433.553 2.478 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOCC)CC1 1705705927 NDCOUVHVRZADEU-JTHBVZDNSA-N 440.592 2.404 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705734732 AOGZLPFVXMEADH-SFHVURJKSA-N 443.552 2.238 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccccc1F 1705928576 ROXSNZYDKPTUQS-MRXNPFEDSA-N 449.552 2.451 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)Oc2ccccc2F)CCOC1 1710482231 CBCUYLNKIOUZDN-PNLZDCPESA-N 445.495 2.266 30 10 IEEE COCCOCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712617100 SUYJQWSIPANPCD-NRFANRHFSA-N 434.500 2.453 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 1722303043 MZUNRYHZTOUTGP-SFHVURJKSA-N 428.556 2.480 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 1722368526 SPPRFTQBNDUBKY-MSOLQXFVSA-N 445.564 2.133 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722496038 VHCVFMJEJTUWKU-GMAHTHKFSA-N 438.576 2.006 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722499036 GWEQXOKWKQNIFB-SIKLNZKXSA-N 437.548 2.389 30 10 IEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1722564400 PGLSVSBPTHWAGE-KRWDZBQOSA-N 425.533 2.493 30 10 IEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722607331 TVWZEJJXPKCNCI-KDURUIRLSA-N 449.577 2.012 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722626226 BLFUAWFTBCZCDB-SFHVURJKSA-N 431.541 2.009 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CN(C)C(C)C)CC1 1722700238 BYIYIQGQZKFZQB-UHFFFAOYSA-N 425.581 2.123 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(C)CC1 1723964747 SWGOAAOUSKBAEN-JQHSSLGASA-N 428.562 2.432 30 10 IEEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)cnn1C 1724132345 CFSVGXHIRZCYPU-UHFFFAOYSA-N 432.532 2.389 30 10 IEEE CCC(O)(CC)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1727285912 FCYWNDSCKSRQLL-MRXNPFEDSA-N 445.520 2.251 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCSC1 1729369977 UVQUARTZZNWTKT-UWJYYQICSA-N 429.546 2.476 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730442212 LXVDNUYJVZXOHJ-HNAYVOBHSA-N 425.493 2.312 30 10 IEEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC[C@H]2CCCO2)CCO1 1731187570 SLVUJWSLALRAMJ-QZTJIDSGSA-N 445.495 2.311 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740575516 SDWMXMDUNIHBBZ-UHFFFAOYSA-N 432.532 2.193 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(OCCOC)CCOCC1 1740635478 OVDDDWCMJHNRJD-UHFFFAOYSA-N 443.935 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCS2)CC1 1740708440 PPBUWTDEFLWWST-IBGZPJMESA-N 441.605 2.001 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740783292 CKIVMZSGVXADBS-QGZVFWFLSA-N 442.568 2.366 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740793460 JQWJVOJOWXYOQM-CTNGQTDRSA-N 426.565 2.014 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccs2)CC1 1740818621 PHMKLZXESWXKAF-RDTXWAMCSA-N 425.580 2.014 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(Cc1ccco1)C(C)C 1740956143 HYMSVJARLNSKHW-UHFFFAOYSA-N 447.503 2.231 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](C)O)cc2)C1 1740983935 SUPVBDICABLMLE-PXNSSMCTSA-N 425.533 2.283 30 10 IEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)no1 1744464253 LTBHYEIOJRMMKZ-UHFFFAOYSA-N 436.520 2.356 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC 1745285526 FSEDXCIDCPSJCR-HKUYNNGSSA-N 447.561 2.167 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1747869189 FFWQHTUUQJXFBN-QUCCMNQESA-N 427.505 2.007 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1748648104 YDFBAXBHBZYCNI-GAJHUEQPSA-N 426.517 2.482 30 10 IEEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748783218 IKIIABUFCIPBTI-BQFCYCMXSA-N 426.521 2.367 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1748810016 ZACNPKFOGOLSFY-SFHVURJKSA-N 433.578 2.205 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1748816924 BAPFJNDIRZIVPN-FQEVSTJZSA-N 446.621 2.457 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)cc1 1748846725 KNWQRTFXODMQJI-LJQANCHMSA-N 426.542 2.090 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(F)c(Cl)c2)CC1 1748990495 XTEJMIKXNNNQGE-MRXNPFEDSA-N 433.915 2.409 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CCC2)CC1 1749019332 SHLGHDPLBWFXCF-UHFFFAOYSA-N 437.544 2.046 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749210078 BWFSBHVFOWLIBA-UHFFFAOYSA-N 448.568 2.164 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCn2cncn2)CC1 1749304413 ZZORFWRTEWQMRY-KRWDZBQOSA-N 444.540 2.035 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749459873 UDPUKXCIKBPUOS-SFHVURJKSA-N 425.493 2.126 30 10 IEEE C=CCCOCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1749460911 JAHGUSODQYODPJ-DNVFCKCGSA-N 447.580 2.159 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1749561603 TUXNSPNAEQYDNI-UHFFFAOYSA-N 440.367 2.435 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC[C@H](C2CCC2)C1 1749736999 VWYRDGVKBYBJJC-HXUWFJFHSA-N 445.589 2.118 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749740505 FTYRIMTXGZLTFY-IERDGZPVSA-N 437.610 2.500 30 10 IEEE CS[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750239762 KIQNCULDZKUYRH-BRWVUGGUSA-N 442.593 2.300 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1750295059 WCWIGRKIMGLZHX-ZJYNUGOYSA-N 441.561 2.142 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCCc2ccccc2)n1Cc1ccc(C#N)o1 1751202989 UUWMJVIONBGBGX-INIZCTEOSA-N 442.545 2.470 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1751262690 RNGQSBFPNDIFQN-VQIMIIECSA-N 448.955 2.378 30 10 IEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1751933706 CHMONWGNWITMJP-QHCPKHFHSA-N 437.592 2.137 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760140401 MGJZTAXSDIIWQF-HXUWFJFHSA-N 444.605 2.175 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760157928 HSDLMHXXCXZNPA-UHFFFAOYSA-N 447.543 2.474 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760367617 SCOVJQVWDYMVMT-MSOLQXFVSA-N 427.977 2.303 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1760490337 VAZVSKXBFMCJCB-LGVFNWMJSA-N 445.608 2.476 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)C1 1760537265 MKWKKWSSTSHGLR-GCJKJVERSA-N 430.553 2.110 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1760558578 SWFMVWDPDOHWQA-IBGZPJMESA-N 441.557 2.078 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760560713 CRPQRKJVRKWTEJ-GOSISDBHSA-N 446.602 2.254 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C1CC1 1760690496 DADGQDLCGJOBBH-HZPDHXFCSA-N 444.609 2.317 30 10 IEEE COC(OC)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1768149740 YDBXSPPOTSVDLY-HXUWFJFHSA-N 434.500 2.332 30 10 IEEE COc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1768747450 XRQRUFBQRGQSBR-IAGOWNOFSA-N 447.561 2.254 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccccn1 1768998773 XETFOLGCRUHEPJ-MRXNPFEDSA-N 442.321 2.413 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)c(OC)c1 1770216770 HFEYPJIFXPFCHF-NSHGMRRFSA-N 427.505 2.096 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)OCCO2 1771188709 PKJDLQXFNKDDMH-BTYIYWSLSA-N 431.468 2.264 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN2CCCO)C1 1771529488 OUIZZACPUDXQRQ-AOMKIAJQSA-N 448.493 2.436 30 10 IEEE COc1c(F)c(F)cc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1F 1851120773 ZJWNFWVEJVOWSJ-UHFFFAOYSA-N 430.390 2.255 30 10 IEEE C=CCNC(=S)NCCOC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1851363457 DDIUGSOPZWOIOL-UHFFFAOYSA-N 442.589 2.018 30 10 IEEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)n1 1853248120 ZLBTYHCNVWNZHS-UHFFFAOYSA-N 433.438 2.407 30 10 IEEE Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)[C@H]2C)cc1 1854324104 MQQZUTLNOXJTKQ-MRXNPFEDSA-N 427.482 2.449 30 10 IEEE COc1ccc2c(c1)CC[C@H](C(=O)O[C@@H]1CON(S(=O)(=O)c3ccc(C#N)cc3)C1)C2 1855385208 OZRAXZIPNDFWBJ-ICSRJNTNSA-N 442.493 2.220 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1=O 1855445795 MXCAOJYWVJWKFH-CQSZACIVSA-N 443.447 2.395 30 10 IEEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1 1857019788 CSPJJGFTFOQMIG-ROUUACIJSA-N 434.558 2.275 30 10 IEEE C=CCn1cc(O[C@H](C)C(=O)c2ccc3c(c2)N(CC)C(=O)CO3)c(=O)cc1C(=O)O 1857890308 QTLMFAJKDCRMRS-CYBMUJFWSA-N 426.425 2.128 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)cc2)C1 1860635081 RIVWCQLSEFGPNV-FIIODCPWSA-N 444.528 2.318 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862677313 CSUJQCRWPRAMEC-LJQANCHMSA-N 428.416 2.254 30 10 IEEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC[C@H](COc3cc(C#N)ccn3)C1)CS2 1891143687 LHDNPJJCDNLNPR-DLBZAZTESA-N 425.514 2.173 30 10 IEEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC(Oc2ncccc2C#N)CC1 1891380774 FEZKEAZDSCJHIO-UHFFFAOYSA-N 431.452 2.191 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1992857951 GCERVPDFEYBPNH-BZUAXINKSA-N 427.542 2.190 30 10 IEEE N#Cc1cccc(C(=O)N2CC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 2066585311 HHFMHWCYHRVFQO-NRFANRHFSA-N 446.507 2.093 30 10 IEEE C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2124534452 IDVXIXLHORFGMS-FJIDUMEYSA-N 449.401 2.478 30 10 IEEE C[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@H](C)S1(=O)=O 2172779722 HGOJBLRBJRYFLT-RYUDHWBXSA-N 445.188 2.155 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2174787275 SAGHBPFXUZZRRH-MOPGFXCFSA-N 429.498 2.229 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCOc2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2224120975 NQOZAPJACRBYLO-UHFFFAOYSA-N 433.358 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2224123259 FMIWBZHHQACYBZ-QGZVFWFLSA-N 433.358 2.241 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229105022 SNWBIXDVFYDMPQ-CVEARBPZSA-N 425.323 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@@H](O)[C@@H](N)C#Cc2ccccc2Br)C1 2235730157 UVKFLLDFWRQSQF-BPQIPLTHSA-N 439.350 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247835583 MXIKWRFKEAOKKZ-OLZOCXBDSA-N 435.355 2.276 30 10 IEEE C=C(CS(=O)(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2247901450 KSVDBNIALCUDJR-UHFFFAOYSA-N 442.387 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2249054369 IMXAOHRCIMOUPK-VQTJNVASSA-N 428.533 2.249 30 10 IEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255636117 PVWFNKWNDSBHCB-NHAGDIPZSA-N 449.382 2.380 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644336 IBGBJHODPFMWCX-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE C[C@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255649127 HULXDFWYEKTXLU-CQSZACIVSA-N 436.362 2.095 30 10 IEEE COc1cc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255656954 ILMAIIIXFCYYFM-HOTGVXAUSA-N 432.326 2.390 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255807381 SRSSXBQBAAHHSJ-GFCCVEGCSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)O1 2256682412 YXACMZPEBREXRB-AWEZNQCLSA-N 437.277 2.399 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)ns2)OC1(C)C 2256922235 DTBUYBCJDWJYQZ-OAHLLOKOSA-N 446.334 2.232 30 10 IEEE COCC[C@@H](CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267001962 SCRQNRWAMHLZGT-HNNXBMFYSA-N 449.357 2.040 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267093938 ZJNQDTXPSYIMFO-LSDHHAIUSA-N 446.357 2.038 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267134534 QUOJACRTCAMAND-LJQANCHMSA-N 439.365 2.441 30 10 IEEE Cn1nc(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267138012 RQSMUAYFVMPTNE-UYAOXDASSA-N 436.365 2.066 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267596541 KCIFNGITGGCHDA-SJORKVTESA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880615 VEANYVLDKPKXHY-SHTZXODSSA-N 446.357 2.199 30 10 IEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268640286 VQHIUBFSUIITRQ-CRAIPNDOSA-N 448.369 2.218 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@](O)(CNC(=O)OC(C)(C)C)COC 2278738444 WBYRYZOZBQLINJ-APWZRJJASA-N 427.339 2.291 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300340915 FBPDWXZFEZDSDO-JOCQHMNTSA-N 437.371 2.475 30 10 IEEE COC(=O)CSc1nnc(C2CCC2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331531152 HEDRMGFOFMLOTN-UHFFFAOYSA-N 433.446 2.372 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[nH]1 2337025724 LQDDLCWKPGUDKI-QHCPKHFHSA-N 447.385 2.285 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1nc(Br)nn1CCOC 2353694474 ZYTCRMKHIVQJTD-CHWSQXEVSA-N 430.347 2.254 30 10 IEEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1cccc(Br)c1 20292559 AJBYVYYUTJFBEG-AWQFTUOYSA-N 447.322 2.326 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 31399783 DDJQTLZKNQQJKS-OAQYLSRUSA-N 442.516 2.199 30 10 IEEE C/C=C\Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)nc(O)n2C 254305734 MXSCJHPJNRHCDG-TWUMCCCFSA-N 433.266 2.326 30 10 IEEE C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 438266694 CNYSGYNRRCTSTC-GOSISDBHSA-N 440.569 2.256 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)C1=O 439420942 NEOOHSVXXUGLMI-GOSISDBHSA-N 443.529 2.274 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C1=O 440263551 FRPUNAYDCZWVKZ-MRXNPFEDSA-N 435.406 2.075 30 10 IEEE CCO[C@H]1C[C@](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)(C(=O)OC)C1(C)C 444768505 UDNMTJMYFRLCKU-JTSKRJEESA-N 425.489 2.019 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 469581665 ZGTQOQDTLSWEJM-CRAIPNDOSA-N 428.938 2.163 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCSC[C@@H]1CCO)CCCC2 470213513 ITDOORLWQSLDCM-IRXDYDNUSA-N 432.590 2.156 30 10 IEEE COc1cccc(N2CCC[C@@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)c1 472091410 ZBTOOWJMCNOFCX-GOSISDBHSA-N 437.548 2.109 30 10 IEEE CCS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H](C)C1 480317185 GYPURBJLVSJKEJ-CYBMUJFWSA-N 436.925 2.285 30 10 IEEE Cc1ncc(S(=O)(=O)N(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N 489608357 HRMSZGQIMPDVPL-HNNXBMFYSA-N 434.543 2.183 30 10 IEEE COC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 491357835 CUJLRXPXJLSYFU-UHFFFAOYSA-N 442.497 2.192 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)cs1 518718972 FFTMBZMYRPZXJW-UHFFFAOYSA-N 442.541 2.085 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)CC1 522319877 UMVWMMSWCYVKEC-SFHVURJKSA-N 433.984 2.104 30 10 IEEE COc1ccc(C(=O)NCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1[N+](=O)[O-] 543851685 POTVWENGMVTQIM-AWEZNQCLSA-N 447.245 2.477 30 10 IEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555240546 PIPWPGYHABDZDQ-UHFFFAOYSA-N 427.509 2.030 30 10 IEEE CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 586044665 SETWPUINRRGTOO-FQEVSTJZSA-N 425.510 2.137 30 10 IEEE O=C(Cc1ccncc1)NC1CCC(OS(=O)(=O)c2ccc3nc(O)oc3c2)CC1 586509570 GMCAVICUHPJLDY-UHFFFAOYSA-N 431.470 2.304 30 10 IEEE C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586863714 YODQIOXBLLDQNB-CQSZACIVSA-N 430.430 2.497 30 10 IEEE COc1ccc(CSCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] 603566234 NJGZBXVMSXWGOF-UHFFFAOYSA-N 427.486 2.452 30 10 IEEE N#CCCn1cc(C(=O)N2CCC(OCCCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 610924289 KPOVJLKBZIEGDH-UHFFFAOYSA-N 427.461 2.376 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCC[C@H](n4ccnc4)C3)ccc21 615911586 GURWOISXQSJMMB-IBGZPJMESA-N 434.500 2.268 30 10 IEEE CCOc1c(OC)cc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc1OC 725762038 DNLPAOSCKSHFFI-UHFFFAOYSA-N 447.516 2.401 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(-c3cnn(C)c3)s2)c1 732635721 BLQULQXMBUPVNR-UHFFFAOYSA-N 435.509 2.031 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 744144051 JSJMZVAZBOSKOO-MRXNPFEDSA-N 437.518 2.088 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)ccc1OC 746262102 QXRFELINTYIUBE-HNNXBMFYSA-N 434.518 2.321 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 747263131 KNSXGQCRORLICC-WEVVVXLNSA-N 429.473 2.394 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cnc2c(cnn2C)c1OC 752372652 OJZCWZYLIZRLTC-CQSZACIVSA-N 437.456 2.478 30 10 IEEE C[C@H](C#N)CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C1CC1 754175327 OQIUMUMJEQQGLF-CWTRNNRKSA-N 433.306 2.367 30 10 IEEE CN(C)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757558047 PNJYQRFSMLMZMQ-JOCHJYFZSA-N 449.507 2.050 30 10 IEEE CC#CC[C@H](NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O 776586701 FOHISKYINOYFLS-LURJTMIESA-N 431.127 2.418 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cncc(Br)c2)n1 789966185 GDPPWMFDNXOXMX-CQSZACIVSA-N 448.350 2.465 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccccc3)c2=O)cn1 794588485 AAEKLMMWWGXTQN-GOSISDBHSA-N 448.548 2.004 30 10 IEEE C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1 798747815 NWVDUJWYSXEDMZ-HOTGVXAUSA-N 446.467 2.384 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 803521577 LAVVBSSNHNAUNN-NRFANRHFSA-N 426.538 2.380 30 10 IEEE COc1cc(CNC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1C#N 811938077 OZCRFNURBPHMHI-LJQANCHMSA-N 443.548 2.403 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(C)cc2)CC1 812177880 SCCBTZQLYLPXPM-GOSISDBHSA-N 432.594 2.490 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)cc2)nc1 816462898 WLLQPEPKYDQBBH-MRXNPFEDSA-N 439.453 2.022 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccccc1I 916177858 BUZSRKIAUVMDCP-UHFFFAOYSA-N 426.235 2.423 30 10 IEEE COC(=O)c1sccc1S(=O)(=O)NC(=O)CCCOc1ccc(C#N)cc1OC 916776977 NOLHQQDERKPSHD-UHFFFAOYSA-N 438.483 2.079 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)c1 918342925 ZRZJVNMYGVTCAB-UHFFFAOYSA-N 427.526 2.215 30 10 IEEE CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1OCC#N 1084293205 DJVDRQLVXOHILZ-ZYODCECPSA-N 438.480 2.456 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21 1141593300 FOSBDNTXRVCDNX-GAJHUEQPSA-N 436.508 2.431 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCn1cnc2c(N)ncnc21 1142514285 KRTWTVQWVZPNIG-CYBMUJFWSA-N 437.932 2.293 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cnn(C)c1I 1186123166 BKIKTQDPFYCIPE-UHFFFAOYSA-N 442.282 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@H](C)C1 1286299740 HUOHZAXFVJYYEP-WOJBJXKFSA-N 435.576 2.475 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1286316887 MMNFSKKWXBKBIP-LJQANCHMSA-N 444.605 2.327 30 10 IEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286327604 JMNOMMCPQTZKLO-IBGZPJMESA-N 442.589 2.265 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1286335888 TZQRJDNCQIJMKQ-HSZRJFAPSA-N 431.581 2.428 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCO[C@@H]1CCOC1 1286406738 GNIDNBFQBNBFPA-JOCHJYFZSA-N 430.512 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cccn2)c1 1286432681 TZQYFYFOXCDCOF-UHFFFAOYSA-N 441.539 2.157 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCOCC1 1286436160 BEUZCSBEIIZDRS-OAHLLOKOSA-N 435.370 2.226 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1286448361 SLQSEVMWSNJWLU-FOIQADDNSA-N 436.965 2.201 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C2CC2)C1 1286797948 FFTSLFIYPLNXLN-WMZOPIPTSA-N 425.537 2.189 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C)C1 1286818667 ZBOFXDKPSAIKOK-JKSUJKDBSA-N 438.525 2.383 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cccn2)CC1 1286835060 QAIUWMATBZIGPG-UHFFFAOYSA-N 429.594 2.433 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1289343043 JVIBRRQHCUFHBA-UYAOXDASSA-N 427.505 2.008 30 10 IEEE C=CCN(C)CCN(CC)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1297372843 HXUDJEKNAGTPRD-UHFFFAOYSA-N 438.775 2.330 30 10 IEEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1297453211 XHUDSVYDVFONPG-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1297602606 CRONOSDMFKUZCS-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1300218514 GRVUZXGLVSPDNX-KRWDZBQOSA-N 440.529 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(O)cc2)CC1 1300725733 DCCXZIWDTVKRTQ-UHFFFAOYSA-N 444.539 2.178 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300983359 HZTGXZNIYCOSSM-UHFFFAOYSA-N 447.547 2.173 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNS(C)(=O)=O)C1 1301542660 PXYICQXKJWLNNR-MRXNPFEDSA-N 431.518 2.022 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1301566255 OFFITDOKLUFNOH-NOXFTYBFSA-N 428.533 2.487 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@@H]1C 1301568676 ITHGFKPZPPQXSG-HOTGVXAUSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(COC)CC1 1301588093 VHMQTXZTVGDISI-UHFFFAOYSA-N 436.553 2.472 30 10 IEEE COc1ncc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1C#N 1303460773 QTUAMWBHAHNGNR-UHFFFAOYSA-N 429.502 2.333 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1303871611 PVOIIMZTUBOJFR-GOSISDBHSA-N 426.904 2.323 30 10 IEEE COC(=O)c1nc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1Cl 1312469416 LCWDARNPTUVDHA-BXUZGUMPSA-N 437.884 2.080 30 10 IEEE CCOc1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)c1 1314207565 ACLCWONZKNUPDE-UGKGYDQZSA-N 427.505 2.106 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCSC1 1314681870 IBAXWWBOKVQXSR-FUHWJXTLSA-N 446.602 2.040 30 10 IEEE CN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1314759350 BBURLLICLDFSSC-GWOGKKTRSA-N 428.518 2.354 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1C[C@@H]1C 1316205126 BRLIRGNVSVTDGT-YQVWRLOYSA-N 425.537 2.251 30 10 IEEE COCCOCc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316250146 NUJBYKLPMRMVPO-JOCHJYFZSA-N 439.495 2.332 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1358896641 IYZIBPNNCBXJKS-RTBURBONSA-N 445.589 2.356 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(O)CCOCC2)c1 1358903321 SIPNYXCJDIVJDE-UHFFFAOYSA-N 425.533 2.074 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1358930009 MCSGWHBYTNXHGR-INIZCTEOSA-N 429.502 2.065 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1358931930 SVCSUEFBQVPYJS-UHFFFAOYSA-N 439.535 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)N(C)C 1358984348 RHDFRXZWIBKAGF-JOCHJYFZSA-N 448.571 2.289 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359044944 SBBRRCOMEXGAJQ-OALUTQOASA-N 426.609 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC(=O)NC(C)(C)C)CC1 1359047029 OAXYKBJXNBGJHC-UHFFFAOYSA-N 442.608 2.281 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359051177 ODDFKCHYOYADKY-OAQYLSRUSA-N 427.530 2.351 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1359083039 AMOZUGRUJSAHKN-CVEARBPZSA-N 428.375 2.238 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)OC)C1 1359106498 GGJIEJDXGLEVAR-HVTWWXFQSA-N 448.564 2.373 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1359205571 BQBVILYMKTTXPG-UHFFFAOYSA-N 426.521 2.312 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359225869 NPXTWKFFOQBFMG-UHFFFAOYSA-N 427.553 2.110 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1359260866 QDWKCCJWASEEOE-KRWDZBQOSA-N 449.552 2.037 30 10 IEEE CC(=O)Nc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1359408196 GYHKMULXRFTSOO-FQEVSTJZSA-N 431.500 2.194 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359630976 KZJDXKXDVPRCMH-FQEVSTJZSA-N 449.559 2.180 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1Cc1ccc(C#N)o1 1360655312 FPAGGELMJIJKMR-CYBMUJFWSA-N 432.481 2.177 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1436232535 AIRIXCZXFUJOSB-UHFFFAOYSA-N 441.937 2.289 30 10 IEEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 1462534031 MUOXIDYLGOAAHC-UHFFFAOYSA-N 440.285 2.053 30 10 IEEE C=C(C)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OCC 1471581082 NAITWDZXFRMROX-OAHLLOKOSA-N 432.336 2.378 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)C1 1503860999 KJKWLXIOGJGDAW-IBGZPJMESA-N 439.516 2.402 30 10 IEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1504460006 CENPSJKZZWSPBT-KRWDZBQOSA-N 431.500 2.360 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC2CCOCC2)CCO1 1505324576 NRFKTNPYSIOWTN-FQEVSTJZSA-N 445.495 2.311 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1507546506 REEHMKZPFHOJJT-SJORKVTESA-N 432.546 2.148 30 10 IEEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1507556196 FLISTVBTQUDCEI-QGZVFWFLSA-N 449.552 2.442 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(C(F)(F)F)n1 1507610906 NTCBEUKQUCJXNS-UHFFFAOYSA-N 439.405 2.452 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1507624623 CMCXSOPYHDUSOJ-LJQANCHMSA-N 429.546 2.000 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)OC 1507709798 AMVQTITWZOJEEC-KRWDZBQOSA-N 438.532 2.357 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCN(CC)CC1 1507816303 LUFNBKXIVBETNX-UHFFFAOYSA-N 443.596 2.436 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1508068239 VTKFBYCRXRAAMW-IAGOWNOFSA-N 425.599 2.243 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C)CC1 1508083795 CMTBUJSSNLERIZ-UHFFFAOYSA-N 431.544 2.201 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1508085694 ILVRNRAZCOTYPZ-UHFFFAOYSA-N 431.928 2.046 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1508181022 FDQZTWOCBFECQG-UHFFFAOYSA-N 436.520 2.100 30 10 IEEE CC(C)N(C)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1509525726 HADCBPSWMUKLSA-UHFFFAOYSA-N 431.548 2.274 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCC[C@@H]1C 1509682495 FELMJKGESHRXLO-HKUYNNGSSA-N 436.564 2.446 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCSCCCO 1512365538 IDOMCBDALSTMFA-INIZCTEOSA-N 444.609 2.068 30 10 IEEE CCc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513890483 QISVOMMWAZGNPF-KHOFPDMRSA-N 435.532 2.448 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCS(=O)(=O)C1 1516334297 DYNRYLVEQPZJGH-DLBZAZTESA-N 447.561 2.286 30 10 IEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1516663882 FLIQSTPYAJTXGQ-IBGZPJMESA-N 441.532 2.133 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1)C1CC1 1519519797 FUXWETUGDZYCKD-UHFFFAOYSA-N 440.504 2.413 30 10 IEEE C=C[C@H](COC)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1529849659 KARWBDDEURQFOT-UAGQMJEPSA-N 430.364 2.360 30 10 IEEE CS(=O)(=O)N1CCc2cc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)ccc21 1532549758 WKHALJBYFUTUCY-UHFFFAOYSA-N 425.510 2.316 30 10 IEEE CN1C[C@@H](C(=O)Nc2cccc(C#N)c2Br)N(C(=O)OC(C)(C)C)CC1=O 1536745608 PSHKUMOBILRQMH-ZDUSSCGKSA-N 437.294 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1OCC[C@H]1C 1539273400 QORCSRIWEFSLHS-ISKFKSNPSA-N 446.599 2.141 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1C 1539415459 DBPTVTXYJMDONN-QGZVFWFLSA-N 436.965 2.276 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539615793 MBNFUSPGPIEFDT-WMZOPIPTSA-N 425.599 2.291 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C(C)C 1539616381 QJZHBDFSFBFASM-MHORFTMASA-N 425.599 2.494 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1539916488 LERSSEJNBAZWIZ-HNNXBMFYSA-N 431.553 2.170 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1540155470 XDTFIASSYDIOPP-INIZCTEOSA-N 447.561 2.276 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1n[nH]c(C)n1 1540200641 GALSGNVOSBZHCA-GOSISDBHSA-N 425.493 2.099 30 10 IEEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1540550048 GPBJFDUYLOBCDC-SXLOBPIMSA-N 430.549 2.259 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)c3ccccc3)C2)C1 1543731733 WLIXEWOSXZYCBI-PSCUFVCCSA-N 447.557 2.363 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1547062684 YRKFAZVZZGTJSV-UHFFFAOYSA-N 434.504 2.381 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)C)CC1 1547631948 DNJKBTVNHYWSJG-UHFFFAOYSA-N 449.563 2.355 30 10 IEEE CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)cc1 1547968608 JZCJQKCWGWYIJF-IHPCNDPISA-N 427.505 2.178 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1554515942 ZHFUKNCAOLHZPZ-RTBURBONSA-N 425.489 2.012 30 10 IEEE C#C[C@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1556781504 IAANZOULZRLJGH-KRWDZBQOSA-N 437.315 2.356 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN2CCCC[C@@H]12 1557288465 DCIPYAOCHFITQK-MOPGFXCFSA-N 432.590 2.419 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 1557397629 CRNUGQQPXMNGRS-MJWGMMHASA-N 434.290 2.266 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2c(F)cccc2Cl)s1 1566314776 PVALZRTZINTMSQ-CQSZACIVSA-N 432.926 2.397 30 10 IEEE C=CC1(CC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1570418318 LTTBRVKXNDSTHN-UHFFFAOYSA-N 439.553 2.288 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1570661964 NJNYSSDOYZXDDS-GOSISDBHSA-N 428.558 2.331 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 1584748692 VQONIICZFHEPMB-AUSIDOKSSA-N 429.517 2.417 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1Cl 1586253558 AJMYJFDVELRMMW-UHFFFAOYSA-N 437.909 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1cccc(F)c1 1587562995 WBZASMMCOKSAKS-ZMSDIMECSA-N 437.541 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@H]1C 1587631438 CSMVGNSURMWTAY-QQMNAOGKSA-N 447.580 2.390 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1587662158 LPBLRMPWWMXWNC-SFTDATJTSA-N 449.603 2.069 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOCC1CCOCC1 1587979729 YIFPGRSTGYVHTA-UHFFFAOYSA-N 436.516 2.497 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCCC)c1 1588170491 HKUUPUSSKIMTFH-UHFFFAOYSA-N 446.555 2.165 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N1CCOCC1 1588613389 ZBQDEEPYPYCBFO-IBGZPJMESA-N 434.544 2.300 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1589186238 URPMRUNFOIMBOM-XMSQKQJNSA-N 443.573 2.370 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1594498107 QHKXCVIROJENER-CSODHUTKSA-N 438.594 2.167 30 10 IEEE C=CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1594775668 VYDIKHYHASOXQE-SFTDATJTSA-N 438.594 2.300 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1594813056 NJRHSRIPPADEDF-ROUUACIJSA-N 426.583 2.168 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCOCCCO 1597471932 DQJYCROZMBVLQW-SFHVURJKSA-N 448.568 2.489 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H](CS(C)(=O)=O)c2ccccc2)cc(OC)c1OC 1598244735 AIFAMPXQILZQFJ-SJORKVTESA-N 432.498 2.222 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1611308309 NUYJEIDGDNRPJA-YRXWBPOGSA-N 444.559 2.257 30 10 IEEE Cc1nnc(N2CCC[C@H](CN3CCC(C)CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612581435 FCFQLYPNOXAMTN-LURZSEBBSA-N 441.580 2.061 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@]3(C#N)CCc4ccccc4C3)CC2)cc1 1616666389 WYHCQMDIUHKKNP-BKRCECSGSA-N 444.535 2.467 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1618866888 PCDMUBNIVMDXLS-FQEVSTJZSA-N 439.516 2.402 30 10 IEEE CN(C)C1(C)CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1624599545 HGQREMJYGGAGSW-UHFFFAOYSA-N 432.590 2.338 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3nc(O)c(C#N)cc3C)C2)cc1 1626471636 XSNBQUGFECLFTA-MRXNPFEDSA-N 428.514 2.106 30 10 IEEE CCN1CCN(C[C@@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1627134790 JWSIGSIUJOFDMA-YINYVXRWSA-N 447.624 2.163 30 10 IEEE CO[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(C(=O)N[C@@H](C#N)CO)C1 1627548218 ANXAQSAJHJMTKA-TZPNTHKFSA-N 449.507 2.416 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)c1 1629409227 BPTZXIJVTOEQPB-UHFFFAOYSA-N 430.501 2.401 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)Cc2ccc(Br)cc2C#N)C1 1630175698 TZMMMNNWGWFDAR-UHFFFAOYSA-N 438.322 2.351 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCc3c2cnn3CCO)C1 1633366375 FYWNYOXLXLMHDD-KRWDZBQOSA-N 444.333 2.140 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 1636794726 QEFJILLVRPPWSE-ABUFQMGBSA-N 446.548 2.399 30 10 IEEE CC[C@H](CN1CCOCC1)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1638678171 BZTJQESKMNRQBQ-QGZVFWFLSA-N 427.505 2.250 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)c1 1641770587 SNDCADBNKXEUIO-LJQANCHMSA-N 448.523 2.236 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(F)F 1641857827 IVEAPYZLVOATIE-AWEZNQCLSA-N 441.431 2.439 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)C1 1645986881 OAEBZUFEXCBRSW-WQASXFKFSA-N 432.565 2.143 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1648265184 ZWPQHUHWEVFNJD-GOSISDBHSA-N 449.573 2.460 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCn3nc(C(F)(F)F)cc3C2)CC1 1648509372 IRRQTAIWYSEAPP-HNNXBMFYSA-N 438.479 2.188 30 10 IEEE CS(=O)(=O)Cc1noc(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1654967976 DVXYLONSBLDYSE-RNFRBKRXSA-N 443.316 2.217 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H](c1ccccc1)c1nc[nH]n1 1658924034 AIPGBYHECDKSCJ-FYYLOGMGSA-N 447.518 2.374 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1666708525 NTMAKVCHKKLKIF-UHFFFAOYSA-N 435.546 2.234 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CCO2)C1 1675450499 NOXJMMBYACQREA-AUSIDOKSSA-N 426.517 2.447 30 10 IEEE COC[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCOC1 1685320340 UVVJQAQUJVOGSP-DOTOQJQBSA-N 429.477 2.079 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1689914068 ZOPFPZXWSDGARS-SFHVURJKSA-N 442.539 2.181 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1689930172 LYJNHHRTCDPLNZ-NHCUHLMSSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689980876 YVBHYSVGCFDIHZ-IBGZPJMESA-N 429.546 2.035 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1ccccc1 1690019259 DYMGFDHOKSIOHH-GOSISDBHSA-N 428.583 2.435 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1690072432 IASOLVZWSXWKCQ-UHFFFAOYSA-N 430.516 2.018 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CSC)c2)CC1 1690131341 YBPANQFEAXWRFT-UHFFFAOYSA-N 438.601 2.067 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1690511169 RSAVSZPWNOLWRY-UHFFFAOYSA-N 439.564 2.017 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)N2CCOCC2)C1 1690693917 HZCRYKOCUGVXDB-TZIWHRDSSA-N 428.581 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1690724638 TUHTZBCZCDIWQG-OALUTQOASA-N 438.594 2.373 30 10 IEEE CCC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1695118543 HELIPDRJJCGAIB-IEBWSBKVSA-N 442.568 2.185 30 10 IEEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCN(CC)CC2)nc1 1696242364 LDDRADRMJHEYJK-GOSISDBHSA-N 426.569 2.138 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1COCCO1 1697613686 HOCOSFMTCRACBR-JTSKRJEESA-N 427.505 2.411 30 10 IEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1697713781 AOSXBOXIOXITQV-HSZRJFAPSA-N 438.532 2.117 30 10 IEEE COCCCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1698010410 XPMYHMHQKVSAEJ-AVRDEDQJSA-N 442.495 2.135 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCOC1 1698058264 DAXKYTABFUJASG-QGZVFWFLSA-N 447.561 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NC)c1 1705497420 AHXCEEJJRJIPNU-KRWDZBQOSA-N 427.512 2.382 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705519541 OAPNKOJUIPASFY-GOSISDBHSA-N 435.619 2.500 30 10 IEEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1705580190 FCDYFEMSMGEROG-LNVKXUELSA-N 439.479 2.026 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1705704847 ZVAPHBHXNIRTNE-LPHOPBHVSA-N 434.562 2.416 30 10 IEEE C=CCn1c(N2CCN(CCOc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893279 AONQUJNYWWPFTJ-HSZRJFAPSA-N 427.549 2.317 30 10 IEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705942457 SVYNZUSVWSCHBD-SJLPKXTDSA-N 432.546 2.233 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1706744432 MJCOXNKGAHEQCA-CYBMUJFWSA-N 425.331 2.183 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)(C)C 1722295510 WQRPCVCWBPBEKN-OAHLLOKOSA-N 445.593 2.001 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N1CCN(CC)CC1 1722341577 IFPKVBUUTYNQMW-FQEVSTJZSA-N 437.592 2.243 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1722409715 FRUGRMMPHSCDNA-JOCHJYFZSA-N 433.560 2.429 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722507485 FXFLQIMSOQRDLL-SIKLNZKXSA-N 427.597 2.494 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722532688 UDFMJBHJFDNNNT-GOSISDBHSA-N 448.568 2.127 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722535014 WJXPKFOTGPWFSW-QFIPXVFZSA-N 449.559 2.183 30 10 IEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1722626649 HADVRALTOLUVMS-UHFFFAOYSA-N 428.537 2.220 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722671461 TYFYRXUZDJRXRN-SFTDATJTSA-N 436.560 2.481 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1722701595 WLNCGOMGDIUXKR-KRWDZBQOSA-N 432.569 2.416 30 10 IEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCS1 1724035009 ICDKLLODMPYGCX-UHFFFAOYSA-N 446.602 2.184 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1727126675 GTFTVLKXJIMGCW-WIYYLYMNSA-N 430.578 2.499 30 10 IEEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1729157741 IVBCVZGFYLDUKK-KRWDZBQOSA-N 443.939 2.117 30 10 IEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1=O 1730781453 HWYXAEVZGDGCPK-SUMDDJOVSA-N 426.496 2.106 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740581440 XYFSNWBHWRSPOL-KRWDZBQOSA-N 446.577 2.053 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC(C)C)c2)CC1 1740688782 JJMZTNRBILRZDB-UHFFFAOYSA-N 438.576 2.255 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740709863 MVDXQGAVUDXRDP-HNNXBMFYSA-N 445.511 2.428 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740876106 OLLHTDBZDSAWSJ-HNNXBMFYSA-N 442.545 2.432 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(F)F)C1 1740954763 GHSUYCAQCZHCJO-OAHLLOKOSA-N 433.459 2.500 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1741001162 MJSQHTOXRINYNR-ZIAGYGMSSA-N 432.516 2.221 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCC(F)F 1741477500 CIJBYEIVULGLND-OAHLLOKOSA-N 434.495 2.135 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1741801957 IIIVRQJNTMYMBQ-FUHWJXTLSA-N 435.507 2.486 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1742298378 BYMDLEOOBYLKQB-UWJYYQICSA-N 429.546 2.413 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)on1 1742898924 HZRIXFRBYHJXTM-UHFFFAOYSA-N 435.488 2.165 30 10 IEEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNS(=O)(=O)CC 1748771380 KWMHJFMEPLFRSO-UHFFFAOYSA-N 444.586 2.386 30 10 IEEE C#CCN(c1nnc(C)n1CCc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1748804778 LAIBTHRWFOAPTA-HXUWFJFHSA-N 439.541 2.419 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748817901 SFRCDNUKTITTFS-SFHVURJKSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748833034 GSAFLOAERVXMLO-UHFFFAOYSA-N 446.511 2.183 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)cc1 1748876985 BBIWRHDZRPVTDZ-FQEVSTJZSA-N 426.521 2.080 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1748889444 KBKCQCOAIMHCLW-UHFFFAOYSA-N 442.523 2.205 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCSC2(C)C)CC1 1748978233 IUENMXWNAVBGQK-GCJKJVERSA-N 433.622 2.217 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749240046 SCJRQDGKAPTINV-RTBURBONSA-N 439.472 2.436 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)C1 1750377878 BHWXARYFORXLSS-OXJNMPFZSA-N 439.557 2.362 30 10 IEEE Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)c1 1751721940 DBUZLYISIVIXDX-LJQANCHMSA-N 439.545 2.208 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760161702 NXRCXZPHQWYMQE-VQTJNVASSA-N 428.581 2.066 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1760167670 YDMQUKHUGIQETI-UHFFFAOYSA-N 442.321 2.239 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760184060 VAULDYHBFIYMMJ-HKUYNNGSSA-N 449.621 2.257 30 10 IEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1760187212 CBNWKQKHUAOBFY-QGZVFWFLSA-N 441.557 2.100 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1760226940 ORUHRMKGWHPAHU-UHFFFAOYSA-N 443.573 2.067 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1760251513 BSOFIFAUKSOCID-HXUWFJFHSA-N 449.603 2.385 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760268092 CDIFFMLKWWIVFA-OAHLLOKOSA-N 430.553 2.035 30 10 IEEE C=C(Br)Cn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760308340 ATGYBESEYFYZOW-YOEHRIQHSA-N 439.402 2.128 30 10 IEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1760352571 SCANYBCXYQQLNN-KRWDZBQOSA-N 425.541 2.149 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)cs1 1762297801 YABAVRHYQCBYNN-GOSISDBHSA-N 443.577 2.155 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1772660520 BJBVAEQXWQCYJM-LJQANCHMSA-N 445.589 2.287 30 10 IEEE N#Cc1ccc(NC(=O)CN2CC[C@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 1848450720 ISUQTVKKOUQOFZ-JOCHJYFZSA-N 437.887 2.347 30 10 IEEE COc1ccc2c(c1)[C@H](CC(=O)OCCN1CCN(c3ccc(C#N)cn3)CC1)CC2=O 1851772305 MRIWMDCWKHCSHV-SFHVURJKSA-N 434.496 2.387 30 10 IEEE CC(C)Cn1cc([C@H]2C[C@H]2C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cn1 1851987457 QQAPEXZTMKQGRR-WOJBJXKFSA-N 432.532 2.171 30 10 IEEE CC1(C)Cc2cccc(OCC(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2O1 1852455460 JACNRFFSLBIZPJ-UHFFFAOYSA-N 436.512 2.411 30 10 IEEE C=CCN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 1853086263 RZPPRCARLMBKJL-UHFFFAOYSA-N 429.542 2.221 30 10 IEEE Cc1nc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4F)C3)CC2=O)cs1 1854197078 YIIJDNRYMKKZBZ-KRWDZBQOSA-N 427.505 2.021 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2cc(F)cc(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854654556 BEWVLGLLGIDSNM-GFCCVEGCSA-N 435.864 2.413 30 10 IEEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1856510284 RSTKLHXDVIGAKC-MSOLQXFVSA-N 430.574 2.223 30 10 IEEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cc(OC)c(OC)c(OC)c1 1861064618 USFOSBPVFOGELZ-MRXNPFEDSA-N 437.537 2.163 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1862169440 UYEQELYMURBEQI-UXHICEINSA-N 429.586 2.474 30 10 IEEE C=CCN1C(=O)c2cccc(OCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2C1=O 1865828109 PTPZPKZTOMXFIH-UHFFFAOYSA-N 446.463 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1962849098 RSUZIDFJSUQSKZ-VQTJNVASSA-N 428.533 2.106 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010549867 LVJHRDNQCNMPIU-HSALFYBXSA-N 428.533 2.105 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060636420 XRNVPASGULBHTG-KRWDZBQOSA-N 434.342 2.488 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666736 AQCCZNDSESZAEY-JKSUJKDBSA-N 447.341 2.201 30 10 IEEE Cc1cnc(OC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224121092 OYRSSWZNRKMERJ-UHFFFAOYSA-N 434.298 2.142 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247908389 SSEUKIBXKKJWJR-KWCYVHTRSA-N 435.355 2.180 30 10 IEEE C=C(CS(=O)(=O)N(C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2247986749 ZLFCCBSPCSPFFH-MUJYYYPQSA-N 442.387 2.301 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CO1 2255527914 TWSAQGKGRDZIKG-AWEZNQCLSA-N 436.289 2.406 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255628659 KVSWCRKOPOBASW-CQSZACIVSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H]2C[C@H]21 2255845463 BWNARIPASDLIFB-YQQAZPJKSA-N 431.342 2.442 30 10 IEEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267148223 WPPANJIELBGXLB-UHFFFAOYSA-N 448.373 2.428 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 2267273495 NQWCDEHDYRDSNG-UHFFFAOYSA-N 445.369 2.454 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2267278527 DDTQJQSEWXJYGH-PMACEKPBSA-N 438.333 2.485 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2267526566 URDRZAVHYLQKCF-QFIPXVFZSA-N 448.373 2.332 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2267529390 LEZINBVTLCXAQQ-HOYKHHGWSA-N 436.365 2.207 30 10 IEEE Cc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2268634056 WDCGOSADBHXZCH-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315529813 XPIZAQAOBFCLCT-CQSZACIVSA-N 436.362 2.047 30 10 IEEE CC(=CC(=O)N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 2331914950 JQLXNXYLFVBJNR-MRXNPFEDSA-N 440.525 2.355 30 10 IEEE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1ccccn1 20806674 FFXMKCNFYAEXOI-FOKLQQMPSA-N 434.485 2.423 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(F)c3C)n[nH]2)cn1 59886792 LKKYMRCELUYPKC-DNTJNYDQSA-N 432.485 2.272 30 10 IEEE COC(=O)/C(C(C)=O)=C1/N=C(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 103741188 ADQNKOMEZZAFFN-WUKNDPDISA-N 438.352 2.166 30 10 IEEE COC(=O)COc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 109937852 SHXMCMMVSFPJQN-GOSISDBHSA-N 425.466 2.264 30 10 IEEE CCCCCCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 248243252 FUPPILVVFYZJQK-CIVUBGFFSA-N 449.552 2.297 30 10 IEEE COC(=O)[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC)cc1OC 472616485 MHOFDVVEQKSIJV-MRXNPFEDSA-N 426.397 2.046 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)c(F)c1 480724658 CTVPRLRTVYCJKJ-UHFFFAOYSA-N 435.428 2.220 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)Cc4ccccc4C)CC3)cc2C1=O 504957925 SAXAMANBAONZDY-UHFFFAOYSA-N 431.492 2.304 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@H]1c1ccc(Cl)cc1 509138631 MBKSUMBAOLOKCR-UYAOXDASSA-N 438.919 2.410 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 537171205 UBKWMGSSRLVOBH-IRXDYDNUSA-N 444.532 2.270 30 10 IEEE C=C(C)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555263048 DGJUOWJXDRMJBE-UHFFFAOYSA-N 426.546 2.189 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 612193284 DIZJHVXJDMWMNR-CYBMUJFWSA-N 432.492 2.485 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(F)(F)F 730138901 OLZVMWOKBUALIQ-CQSZACIVSA-N 432.468 2.257 30 10 IEEE N#C[C@H](C(=O)Cn1ncc2ccccc21)c1nnc(N2CCOCC2)n1-c1ccccc1 730690304 SGILOFIBJASIGC-LJQANCHMSA-N 427.468 2.330 30 10 IEEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734291671 ZJNGMPRJPHQLAZ-GOSISDBHSA-N 446.504 2.479 30 10 IEEE CC(=O)Nc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(F)cc1F 742589912 MYSZBIRYFVFSFS-JTQLQIEISA-N 436.440 2.379 30 10 IEEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccc(-c4ccncc4)cc3F)c2=O)CC1 751818761 ICDMJIBOFILWPO-UHFFFAOYSA-N 445.523 2.404 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(C)c2C)C1 760303069 XLCYDZKAVDGMQY-DOTOQJQBSA-N 431.562 2.175 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 767771402 FHUIZKVSSNHOGC-SFHVURJKSA-N 440.522 2.399 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 778375160 NFXGSBRIGZMQCD-CYBMUJFWSA-N 429.539 2.063 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)n1 788607915 YNQWDIMMLHBIDB-UHFFFAOYSA-N 433.534 2.267 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)=NO1 798975590 QBKNIQJTVSWQTH-QGZVFWFLSA-N 443.504 2.127 30 10 IEEE N#Cc1ccc(C(=O)NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)cn1 800465642 MIRMVLNEOHVACF-UHFFFAOYSA-N 440.666 2.136 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)c1 803924241 LXQYNZIYKBIBQI-UHFFFAOYSA-N 443.519 2.423 30 10 IEEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 814382842 ONFVZXSBIAXVRZ-UHFFFAOYSA-N 436.555 2.111 30 10 IEEE CC(=O)N1CCC(N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)CC1 917699183 FXLVPVDHUKIZII-IBGZPJMESA-N 439.541 2.169 30 10 IEEE Cc1ccc(F)cc1NC(=O)CSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084069309 PKCHLMZCFRJIKB-UHFFFAOYSA-N 431.501 2.394 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1134996688 QCRPIWODUPBFJV-JFIYKMOQSA-N 425.432 2.209 30 10 IEEE CCOC(=O)N1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1135327619 LOMHFRJEMZUFCP-UHFFFAOYSA-N 435.322 2.494 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOc1ccc(F)c(Cl)c1 1141118799 GDSIVEWYFORCTA-GFCCVEGCSA-N 425.869 2.213 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1149431716 DKVXVFFIQDLAGN-MRXNPFEDSA-N 437.525 2.200 30 10 IEEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 1226636786 LCDTWTKWTUSFNQ-OLZOCXBDSA-N 445.335 2.314 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC12CCOCC2 1286376047 DPXIVULKKGIIMD-MSOLQXFVSA-N 445.564 2.473 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cn2ccc(C)cc2n1 1286421685 GJTUWCNLASCGDJ-XMMPIXPASA-N 432.528 2.398 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC2(C)C)CC1 1286485655 SVZUORXEVOAWOA-GOSISDBHSA-N 428.581 2.208 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(CC)s2)CC1 1286490072 KWLBSNNOVQFEEU-UHFFFAOYSA-N 435.557 2.373 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCS(=O)CC2)cc1 1286797620 ZZFGRWUYEIKBBF-UHFFFAOYSA-N 440.573 2.322 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccco2)C1 1286802946 FENISCQNEOYPFI-ZPMCFJSWSA-N 432.521 2.212 30 10 IEEE CC(C)(O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1287096156 BBGPEPNBUMTHCJ-SFHVURJKSA-N 443.573 2.382 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)C1 1288976291 WNMRBAZDOHQSSQ-JTSKRJEESA-N 439.520 2.251 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1296286528 XRNBQQHLAIFTFO-KUFMOJEASA-N 449.555 2.116 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1300357157 IXAFLBHDDOVIJB-LJQANCHMSA-N 434.544 2.056 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCC(C)C 1300439298 AFRVSPDBHFOBMX-QFIPXVFZSA-N 447.605 2.452 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1300637797 LEKOZZOFYTWHCS-LJQANCHMSA-N 435.322 2.231 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300776470 KVGYPZTYVBHDDG-NRFANRHFSA-N 445.520 2.394 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1300884280 IOCJOQBCYNBRIK-LNLFQRSKSA-N 449.577 2.403 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1300972944 SFKGURZNOQYLBF-UHFFFAOYSA-N 446.596 2.190 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301030179 GQQAMHNREZYNGR-UZLBHIALSA-N 443.983 2.472 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301196501 COYVLLOBXJNXPR-UHFFFAOYSA-N 449.563 2.337 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1301216458 KVKSVAJCSGNSJQ-HFSMHLIXSA-N 440.596 2.448 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1)C1CC1 1301316535 MDUGHCYAXWLYNG-UHFFFAOYSA-N 431.562 2.265 30 10 IEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O)C1CC1 1301331645 QPTUZMJSTDCENB-UHFFFAOYSA-N 438.557 2.480 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)C1 1301555251 AEBPILLJCZBLSI-HZPDHXFCSA-N 437.591 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1301586977 LBRRPODYHNHKRC-CTNGQTDRSA-N 429.590 2.500 30 10 IEEE C=CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301620501 GHIFPQPDSDWWEW-OAQYLSRUSA-N 437.610 2.297 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2C)c1 1301866202 AOQMZQTWCBNHMM-GCJKJVERSA-N 425.554 2.239 30 10 IEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1302021231 YBKCTWYZQAUPNW-HKUYNNGSSA-N 438.532 2.259 30 10 IEEE C[S@](=O)C1(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1302508050 GHWVNJSCGBJJBI-QTEAWJPNSA-N 427.574 2.483 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@@H](O)CC4(CCOCC4)C3)C2)C1 1302916305 ZSRDZVNTJVHKLS-VQFNIZELSA-N 433.549 2.163 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1303230968 YCKDVNPKFMNEIM-UYAOXDASSA-N 438.532 2.259 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656202 QQMRCSGXQDCJQY-KRWDZBQOSA-N 429.517 2.489 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CN(CC(C)C)CCO2)n1 1304747682 DFKFEWIAUXAGAD-OAQYLSRUSA-N 440.596 2.237 30 10 IEEE N#Cc1ccccc1OC[C@@H](O)CN1CCNC(=O)[C@@H]1c1ccccc1Br 1307653372 FQYVMBGEQOLBLN-KXBFYZLASA-N 430.302 2.234 30 10 IEEE CO[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1315187551 HSMRBZHPMFXEQJ-UTKZUKDTSA-N 430.459 2.483 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)nc2)CCO1 1316538721 AJSGRTMNLHQUQL-CQSZACIVSA-N 443.920 2.095 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358910680 XOCPJLRMMJTXIQ-QFIPXVFZSA-N 447.543 2.276 30 10 IEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358960201 ZFWBSDKWIADQGK-SFHVURJKSA-N 439.541 2.157 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)CC1 1359055103 SRIPRQJQNVTAJH-UHFFFAOYSA-N 426.571 2.066 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1359302771 SPJBRHFQDBSSOI-LJQANCHMSA-N 448.527 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCCC)C1 1359322227 RRMHFUJCLBZCOH-VQIMIIECSA-N 427.505 2.098 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(CS(C)(=O)=O)cc2)CC1 1441929307 HFHKWVYEVPSZQY-UHFFFAOYSA-N 434.558 2.498 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N3CCN(C(=O)CC#N)CC3)cs2)CC1 1445688836 KSKHZEHKEZALOW-UHFFFAOYSA-N 447.561 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CCO)CCOCC(F)(F)F)C2)C1 1446392552 WMRSYKQGKHTCEL-HVEKOLDVSA-N 449.470 2.173 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)NCC(=O)NC(C)(C)C 1458829483 YABXXOWEVKXOTK-UHFFFAOYSA-N 435.525 2.305 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2csc(Br)c2)c1=O 1459210391 JUCIEWKNJQHHTP-UHFFFAOYSA-N 426.292 2.096 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 1460027046 GFJYSYDESMYAMO-IIBYNOLFSA-N 427.526 2.388 30 10 IEEE Cn1ccnc1C(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1nccn1C 1461655156 MCBJZKUCRQWDHW-HNNXBMFYSA-N 429.525 2.336 30 10 IEEE N#Cc1ccc(NCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)nc1 1463970235 KQRQPNNPCVQMTG-CXUHLZMHSA-N 425.445 2.357 30 10 IEEE Cc1nc(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)c(Br)n1C 1464199371 FAKLDTCWRPZEKX-UHFFFAOYSA-N 438.351 2.310 30 10 IEEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)n1 1473703704 WMKLBLGIJNRQJC-QHCPKHFHSA-N 430.516 2.478 30 10 IEEE COC(=O)CCCc1nnc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)s1 1476200852 COLVLLDGANVDRQ-UHFFFAOYSA-N 432.481 2.399 30 10 IEEE C=CCn1cc(CNC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)nn1 1477748441 WOQNZFLRACMHNR-UHFFFAOYSA-N 426.502 2.264 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(Cl)cc1 1478897661 YZHWCKGCCZPDBF-MJOCMJMXSA-N 438.933 2.213 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCC(C)(C)C1 1499164034 GXVGGFLIFBTLDW-SFHVURJKSA-N 437.596 2.339 30 10 IEEE CCCN(CC)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1500797310 ICRNAGVJJHQRFM-HXUWFJFHSA-N 438.580 2.455 30 10 IEEE CCN(CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1502198086 JZJJVQBAJIRWCB-KRWDZBQOSA-N 439.564 2.437 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2occc2C)C1 1502468926 IETFGFQXEAPFDS-GOSISDBHSA-N 440.529 2.285 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1503403444 PQEDAMVMFDGNOR-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1503860605 GJXRNMULCMTAOU-LJQANCHMSA-N 436.516 2.219 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCCC1(C)C 1507522647 XJFZMTOBPWZUEB-VQIMIIECSA-N 445.589 2.468 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C(N)=O)nc1 1507606957 CVDAQADHDCWYPJ-UHFFFAOYSA-N 431.319 2.381 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(O)(CC)CC 1507653885 SGIPGCISXCABDQ-SFHVURJKSA-N 445.564 2.210 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCCN1CCC(O)CC1 1507709009 PWHBGXJFYJVMNO-UHFFFAOYSA-N 448.571 2.426 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCNC(C)=O)CC1 1507721891 ZUFGAXAMILDZKU-KRWDZBQOSA-N 440.617 2.413 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1507751050 CQSQQFJGDQITJS-IBGZPJMESA-N 447.565 2.047 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCNC(=O)C1CCC1 1507796266 AARCWBFZDRKFGN-AZUAARDMSA-N 439.564 2.459 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1507796653 IVDMYIUPFAZXNP-FPOVZHCZSA-N 433.597 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1507797387 LLXQAAFBZVZJBX-UFYCRDLUSA-N 433.597 2.310 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1507982367 MLEZFCGUZBRJPR-UHFFFAOYSA-N 441.598 2.450 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1508018643 WDSJOOZNGBEPCF-UHFFFAOYSA-N 441.580 2.210 30 10 IEEE C=CCn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508067907 RTDXBLYMGNPSCD-QFIPXVFZSA-N 443.552 2.020 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508078596 ZZGVWOGIHCTHHL-VQTJNVASSA-N 425.533 2.194 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC)C1 1508091296 MQOOBDZKCMIBAB-IRXDYDNUSA-N 448.568 2.125 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1508093687 WCJZQUCBDRDXNE-HXUWFJFHSA-N 449.559 2.096 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)N(C)CC)C1 1508122708 GBAWXIDAZZIDAG-QFBILLFUSA-N 427.505 2.050 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1508390679 XERYNBJZPUBDGY-GAJHUEQPSA-N 438.532 2.117 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1515099986 PBZSFRVNMRNXEQ-LJQANCHMSA-N 437.548 2.084 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1516678908 HTMVGOWFPYPKLI-QQMHEVNUSA-N 439.520 2.053 30 10 IEEE COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518963687 FFPKNVDLERPWTB-SRYPRDQNSA-N 425.533 2.313 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1519426370 YVYOMKDQKGFTIU-VJANTYMQSA-N 433.553 2.184 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(F)c1F 1519449778 LQNKDJIPXQMHQH-BXWFABGCSA-N 433.459 2.252 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1539117403 XOXAWUBEEMJNOR-QGZVFWFLSA-N 447.543 2.180 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CCOCC1 1539154070 GDWKJGMOVBJSTN-UHFFFAOYSA-N 435.322 2.327 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539195354 WDNYVYAHXKRFED-FQEVSTJZSA-N 442.539 2.008 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1539423352 YGOVMKHCPNNYPU-KHCICDEESA-N 443.592 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccs2)CC1 1539482961 YYQKFBIASKKUQE-SFHVURJKSA-N 427.574 2.442 30 10 IEEE C=C(C)Cn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1539733689 KMCMXAJFEIHHEY-QFIPXVFZSA-N 432.569 2.233 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C/C(C)=C\c1ccccc1 1540871418 LJSVYVUNSQQKDV-BLMOFCDVSA-N 443.573 2.022 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1541888609 FORHGQRKXHMSHX-CYBMUJFWSA-N 443.485 2.056 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCc3nn[nH]c32)c1 1544608412 PMQPCUUOSPDCAK-SUQPPTJISA-N 430.534 2.456 30 10 IEEE CO[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C(F)(F)F 1554624920 UPCCRDNNBHLVBQ-GJZGRUSLSA-N 449.499 2.278 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1555637119 PENWJFPZSCZQTG-FOIQADDNSA-N 440.520 2.311 30 10 IEEE CCOC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1557304472 WFGZUKYERKBCCP-HNAYVOBHSA-N 435.546 2.243 30 10 IEEE C#CC[C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)C1 1559000107 OQIDNQWWGVZDNM-HNNXBMFYSA-N 439.497 2.345 30 10 IEEE COCCC[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)cc1 1564733300 XWIKKDBBEQEVGD-UWVAXJGDSA-N 439.965 2.430 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(Br)c(C)cc1OC)c1cc[nH]n1 1567345967 KBEUCSVHRBYNTQ-UHFFFAOYSA-N 439.266 2.412 30 10 IEEE COCCN1[C@@H](C)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H]1C 1570699458 YCCUEPRCEUSXDY-IDLDRQNPSA-N 434.581 2.341 30 10 IEEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1586573419 QBMOSIVNWXRRSD-RTBURBONSA-N 444.580 2.295 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1587718950 RBGJSIQABYYRRY-UHFFFAOYSA-N 438.576 2.404 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1587766239 RGGZLIPDDMUGTE-MOPGFXCFSA-N 430.578 2.330 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1587783281 NMQIFRGHWOQFFL-CVEARBPZSA-N 442.545 2.008 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 1587922632 HDYNPXKCIFADGW-OXJNMPFZSA-N 432.473 2.088 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H](C)C1 1587931961 GWGPSKINLMVKDG-DLBZAZTESA-N 431.562 2.080 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1588030544 WYYBMZMTABMCHN-HXUWFJFHSA-N 438.557 2.262 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1588892030 VVRIOGIZXUSTEA-UHFFFAOYSA-N 429.908 2.025 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCc2cn[nH]c2)CC1 1588947195 MJJKSHQXXNQRDQ-UHFFFAOYSA-N 431.544 2.109 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1595534302 GJLUMFCGQBFRKD-ZHRRBRCNSA-N 425.489 2.325 30 10 IEEE CC[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccccc2C#N)CC1 1613074059 LFFXJSQEIATYQP-MBSDFSHPSA-N 442.564 2.361 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1615316613 HQFASWXMQALHGH-WOJBJXKFSA-N 449.559 2.180 30 10 IEEE Cn1cc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2Cc2ccc(C#N)o2)cn1 1618391536 DHEFCRWUTWYYIE-INIZCTEOSA-N 436.520 2.323 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(OC)C2CC2)cc1 1619321976 CDMQASNCYUADGF-KNQAVFIVSA-N 427.505 2.410 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1619825391 QQDNPYXOFYTMJY-JOCHJYFZSA-N 427.505 2.151 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@@]1(C)CN(C)C1=O 1619899958 MOTKQQMHEYOANQ-XMMPIXPASA-N 447.543 2.287 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1620357564 JBSZHRMCELWWKQ-CQSZACIVSA-N 435.472 2.237 30 10 IEEE Cc1ccc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1621794699 HVEYAIDITGXOQE-SFHVURJKSA-N 431.338 2.477 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](Oc2ccccc2)C(=O)OC)cc1 1622886493 HWBSMTXQUQNUPQ-LJQANCHMSA-N 447.513 2.235 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)C[C@@H]2COc3ccccc3O2)s1 1628119112 USDPFDIMIMWEMN-OAHLLOKOSA-N 436.555 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1630175316 OZSSYOKOOPUWQL-UHFFFAOYSA-N 446.523 2.402 30 10 IEEE C[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](O)CN(C)C(=O)OC(C)(C)C 1632769071 LMYLMTQOVFATDX-ZYSHUDEJSA-N 444.532 2.034 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1634177503 LEELUTLGEVQXCA-INIZCTEOSA-N 444.513 2.294 30 10 IEEE CNC(=O)[C@@H](CNC(=O)NCc1nc(C#N)cs1)Cc1ccc(C(F)(F)F)cc1 1636647512 DQTMEVMDVPCKKT-GFCCVEGCSA-N 425.436 2.438 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1640219148 PVYDXUNYPCEIHB-PWHSHALESA-N 428.533 2.356 30 10 IEEE C#C[C@H](NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)c1ccc(Br)cc1 1641517846 PJHFTPWSQIFPTB-KDOFPFPSSA-N 429.318 2.448 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCCOc1cccc(S(C)(=O)=O)c1 1641632032 WIPWKDHDJGDAFI-UHFFFAOYSA-N 440.521 2.090 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN1C1CCCC1 1642252242 FHRZMQAJJKMPBN-GOSISDBHSA-N 432.590 2.419 30 10 IEEE C#CCN(CC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21)C(=O)OC(C)(C)C 1644423545 LUZLTCMYQZRJEM-LEWJYISDSA-N 427.545 2.359 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)[C@H](C)O)cc21 1645806578 AWGXDZROFKNDPD-YWZLYKJASA-N 428.514 2.197 30 10 IEEE CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)CCCC(=O)Nc1ccccc1C#N 1648244520 KMZNTZIBDWCEOL-QGZVFWFLSA-N 432.521 2.353 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@]1(c2ccccc2)C[C@H](O)C1 1651444995 QZVWMZOVIXLEQZ-QRTMHTFLSA-N 441.553 2.452 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)C1 1651763707 IDAWWSVMFRGDPE-UHFFFAOYSA-N 430.526 2.279 30 10 IEEE COc1ccc([C@@H]2CCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1653575269 BCEJBOXBLPRLKX-SFHVURJKSA-N 428.514 2.273 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC([C@@H]3COC(=O)N3)CC2)n(Cc2ccco2)c1C 1655761660 XBKMIUNJUJWMCM-IBGZPJMESA-N 425.489 2.377 30 10 IEEE N#Cc1cccc(CN2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)n1 1659177387 HUVIRQVNBZMFRM-UHFFFAOYSA-N 449.374 2.307 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)n(-c2cccc(F)c2)c1C 1659904808 WBVMEFCFCYYHPF-FPOVZHCZSA-N 439.491 2.023 30 10 IEEE C#Cc1ccc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 1662090535 LAKMNVCHKJAOSG-UHFFFAOYSA-N 428.329 2.312 30 10 IEEE C=CCn1ncc2ccc(NC(=O)NC3CN(S(=O)(=O)c4ccc(OC)cc4)C3)cc21 1673311373 GRLVBZHGKPBXIS-UHFFFAOYSA-N 441.513 2.426 30 10 IEEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1682358765 XSCDTOMLRIVJAE-SFHVURJKSA-N 432.933 2.265 30 10 IEEE COC(=O)C[C@@H](CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C1CC1 1683859077 VUURCRIGFIIRAM-IBGZPJMESA-N 436.516 2.369 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](COC)C1 1689901956 SINHVQZDHJHBCY-IRXDYDNUSA-N 431.562 2.313 30 10 IEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1689938254 FZABQZVNNYAPLZ-UHFFFAOYSA-N 438.576 2.145 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1689979676 FYNDLNXPXWLMFR-FQEVSTJZSA-N 429.590 2.138 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCCCS(C)(=O)=O 1690195649 NCOBKTPNYDDZHA-NHCUHLMSSA-N 438.594 2.137 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1690313446 UNCXUTLLTAFINM-IBGZPJMESA-N 445.589 2.229 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1c[nH]nc1C 1690518340 FVUIXSUAGHRIPD-UHFFFAOYSA-N 443.577 2.482 30 10 IEEE CCCN1CCC(N(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1695375560 FXMBKVKMEATFJZ-DQRAZIAOSA-N 441.580 2.068 30 10 IEEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1696340568 DNHUZJWCQQWQSO-OAHLLOKOSA-N 437.447 2.396 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705694225 PNIXEHILFMQXLL-YLJYHZDGSA-N 445.568 2.234 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705734706 YIYLQQDEVKFJNR-GOSISDBHSA-N 427.553 2.448 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705830717 WBIPFUUZHJBGMR-UWJYYQICSA-N 441.532 2.440 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705907931 CEJOGUQZZIPARP-VQHPVUNQSA-N 432.569 2.443 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCCO1 1706073812 RGKVPYVGPPDPEY-CVEARBPZSA-N 430.509 2.187 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1708650662 JDZYLALITRRKCL-JLHGSKIFSA-N 439.495 2.250 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(N(C)C)CCSC1 1708718843 BZFDGAOIASSCEA-NRFANRHFSA-N 433.626 2.374 30 10 IEEE COC(=O)N1CCC(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1711465353 BZEFVGOXEDLEDQ-KRWDZBQOSA-N 430.534 2.138 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722290986 HQRQKSINBGUNBE-YESZJQIVSA-N 430.553 2.334 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722336292 KLYPXHYKNBOKJQ-LJQANCHMSA-N 426.565 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)c1ccco1 1722399131 KEJUSONUOWMRGE-DEOSSOPVSA-N 428.496 2.480 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)c2ccccc2)CC1 1722436712 DFMNMYHMNRHBIG-TZIWHRDSSA-N 441.601 2.129 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1722446187 AGOXHIQWUPDWQN-MWTRTKDXSA-N 436.516 2.231 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722624629 GBJYRLHUZRVKOI-UHFFFAOYSA-N 447.543 2.219 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1722657405 AIVBRVOJPISPBU-SIKLNZKXSA-N 446.573 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1722727189 GPJAQKACOUWBKA-VQTJNVASSA-N 446.573 2.178 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722742517 WHTAYIQXVIVRIG-HXUWFJFHSA-N 433.603 2.198 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)C1 1722828867 GBZIUIFLNKMYSR-FQEVSTJZSA-N 432.532 2.374 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722871030 TZIPJGOBXHKVTR-ROUUACIJSA-N 435.532 2.049 30 10 IEEE CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1723111254 MJKWOHGAAHNACP-ZWKOTPCHSA-N 445.955 2.079 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1724236020 SEXJXDXYMSLGGK-UWJYYQICSA-N 446.552 2.045 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCOC(F)F)CC2)c1C#N 1725869882 ZYJXBIBBLJCUMI-UHFFFAOYSA-N 436.511 2.346 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726907063 DJDLVNKJFYRZJF-XZHYIPMRSA-N 442.564 2.449 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCOC(C)(C)C)cn1 1729571163 ULCSVDTZGVQRQU-UHFFFAOYSA-N 435.536 2.087 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1OC 1730993225 ANLUBUNPDIUPCI-PLWAMTLXSA-N 441.532 2.251 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1740716124 MLUHLAROCAFKQH-OALUTQOASA-N 436.541 2.045 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1740750083 LKSNNTCLUFAHOC-PKOBYXMFSA-N 446.596 2.139 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740756666 QKILPLGIHXGGLG-UFYCRDLUSA-N 445.589 2.444 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1740899957 KKZOBVJSQJUVCJ-KRWDZBQOSA-N 431.541 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740956406 LIPPFLWITAIBBH-QGZVFWFLSA-N 444.967 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@](C)(OC)C1 1740988249 YGMFJHOFDVJMBP-FQEVSTJZSA-N 449.533 2.459 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742669767 UUZLSMDCGASOSY-XUTLUUPISA-N 438.536 2.059 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1748710463 QMSGQCFIHANWRD-MRXNPFEDSA-N 433.516 2.454 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1 1748825322 UZLKGPHWSMBCCC-QFIPXVFZSA-N 425.920 2.095 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1748923141 VLGCAQZPWVQRPG-UHFFFAOYSA-N 449.559 2.297 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1748935110 NPJDWBOHMHPHMX-LJQANCHMSA-N 436.560 2.395 30 10 IEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCOCC1 1749032953 VYPKQRARWRFKCI-UHFFFAOYSA-N 438.557 2.268 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC 1749065140 UVBMTRVXMUERIZ-XMMPIXPASA-N 447.543 2.193 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749690589 YIYJVLNSWZNHML-JOCHJYFZSA-N 446.573 2.443 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@@](=O)C(C)(C)C)C1 1749721794 UFPBUERIBIOMMC-ZTMYXEJLSA-N 440.610 2.331 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC1CC1 1750060896 LCGRHQYRHNZVHY-GFCCVEGCSA-N 434.342 2.168 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(CC3CCCC3)n2CCOCCCO)CC1 1750384844 RDNLHSZQJUOATG-UHFFFAOYSA-N 439.564 2.003 30 10 IEEE C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1751140211 HQVYQEQSFIQOKP-WAIKUNEKSA-N 434.548 2.272 30 10 IEEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1752429420 HYDBMVJOFULQOP-APFMSCDFSA-N 449.540 2.285 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cn2cccn2)cc1 1760160878 RRNLJGHLQGQYTI-UHFFFAOYSA-N 426.484 2.288 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cccc(Cl)c1 1760243892 UAJUCIUMUQAKJR-QFIPXVFZSA-N 445.951 2.161 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1C 1760244288 PQESWNLVHLGKIL-UHFFFAOYSA-N 446.353 2.222 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CCC(C)C)CC2)CC1 1760260084 LIABVRYUMWHNAK-UHFFFAOYSA-N 436.608 2.248 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CN(C)C2=O)CC1 1760405500 UYPCXFFEWHMCPT-OAQYLSRUSA-N 428.562 2.150 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1760511695 HJQKLWLDKWEAAP-NRFANRHFSA-N 434.544 2.012 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC2CCOCC2)CC1 1760519869 SFJFWBHKOUEIES-UHFFFAOYSA-N 438.576 2.104 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(COC)CC1 1760555206 AAFKMTJWRUSOSU-KRWDZBQOSA-N 426.583 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1760778007 FGZOZQXSBPSKOS-YESZJQIVSA-N 432.525 2.258 30 10 IEEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1767269050 NPKHZCKRJWUEHE-ZZEZOPTASA-N 441.442 2.435 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1768659232 AJCXZWSNBMCSKR-LJQANCHMSA-N 427.530 2.035 30 10 IEEE COC[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769214865 YNVWOWFGQDHBRG-HKUYNNGSSA-N 425.537 2.048 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1770757170 UGVPSRKGRGMBAU-LJQANCHMSA-N 444.561 2.150 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)C1 1771151700 BKQQAYMYNYARPX-MBOZVWFJSA-N 440.548 2.219 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1771271919 COYHYYMINHLGLF-UHFFFAOYSA-N 440.548 2.221 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)CCn2nnc3ccccc32)cc1 1852284220 RELUVEPNJMCAAP-HXUWFJFHSA-N 435.484 2.016 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)N3CCC(C(=O)NC4=CC(=O)CCC4)CC3)CC2=O)cc1 1852424567 ZVQJBXASDVTYAW-HXUWFJFHSA-N 437.540 2.335 30 10 IEEE COc1ccc(OC)c(CN2CCN(C(=O)COc3c(C#N)cccc3OC)CC2)c1 1852611566 LFKIEQRCYCVFHS-UHFFFAOYSA-N 425.485 2.307 30 10 IEEE NC(=NOCCC(=O)N1CCO[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 1853464494 UKRJXRPKMYFSNL-GFCCVEGCSA-N 429.317 2.402 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc4c(c3)CCCC4)C2)CC1 1857042434 YHBSSAODLANXMO-HXUWFJFHSA-N 429.542 2.119 30 10 IEEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1857225147 YAWPVGKLMFDLAO-ROUUACIJSA-N 430.574 2.252 30 10 IEEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)N=c2[nH]nc([C@@H]3CCCO3)s2)CC1 1860629180 WKJMEIUBXFPWKK-MOPGFXCFSA-N 444.557 2.499 30 10 IEEE N#Cc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1868129572 YWRXHYWLOMZCCA-UHFFFAOYSA-N 428.404 2.316 30 10 IEEE CCOc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cc(OC)cc(OC)c2)cc1 1870098622 NWYSWRDJQXRCCQ-UHFFFAOYSA-N 429.458 2.356 30 10 IEEE CC(=O)NCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873238959 RRASAUBTWAZCPT-UHFFFAOYSA-N 428.370 2.304 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@H]3C#CCN(C)C)SCC(=O)N2C2CC2)cc1 1889885388 ONPMSIFWKGEZLP-YSZBQJHXSA-N 441.597 2.399 30 10 IEEE COc1cc(N2C[C@H](CNC(=O)c3cc(C#N)ccc3F)OC2=O)cc(OC)c1OC 1891533466 LDRNGZLJEDHDQC-AWEZNQCLSA-N 429.404 2.478 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c([N+](=O)[O-])c1 1892086634 MKOXOFWSZHSVHF-OAHLLOKOSA-N 432.458 2.350 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 1993686744 GJSKYWHKYXPTFK-ARFHVFGLSA-N 427.542 2.332 30 10 IEEE O=C(N[C@@H](CS)C(=O)O)c1ccc(I)c(Br)c1 2007074278 QSTPBNZGBCUQMT-QMMMGPOBSA-N 430.061 2.167 30 10 IEEE CN1CCN(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2060790288 NSGKELFKYYCDMW-RDPSFJRHSA-N 442.560 2.497 30 10 IEEE C=CC1(NS(=O)(=O)c2ccc(N)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2075319689 ZWCWXIRKIQNRPU-UHFFFAOYSA-N 432.340 2.485 30 10 IEEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCCO)cs1 2177653189 YKXMFTFNRAHCPV-HNNXBMFYSA-N 446.550 2.149 30 10 IEEE C=CCn1ncc(N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(Br)c1=O 2178146517 JDSLDVFAXJUEPQ-IACUBPJLSA-N 441.326 2.238 30 10 IEEE Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)cc1C#CCN 2203781857 OJVWWTBPZRDZBF-UHFFFAOYSA-N 425.510 2.042 30 10 IEEE Cn1ncc(I)c1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224080210 BKQLCMSVQWTINW-UHFFFAOYSA-N 440.094 2.331 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2247832886 XBVCEBLBFHSPFJ-FKIZINRSSA-N 435.355 2.182 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247901071 DTKBAVQZNUSEQO-DABQJJPHSA-N 435.355 2.037 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247986684 YSQJHZPECVZMNI-OWCLPIDISA-N 442.387 2.349 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](COC)C[C@H]1CNC(=O)OC(C)(C)C 2251327015 UAFBFCSXSOTUFF-STQMWFEESA-N 427.361 2.086 30 10 IEEE CC1(C)OB(c2cccc(N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)n2)OC1(C)C 2255363294 LPCFNFZECQEYCX-IHRRRGAJSA-N 425.260 2.417 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255627317 QWPCRHJANWLFNI-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2255832975 VGOHEVIDWOSNSP-CQSZACIVSA-N 436.362 2.061 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256681863 RHLZWEHAMIJDCJ-INIZCTEOSA-N 436.314 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267093853 YLHOJQMIAULICU-FMKPAKJESA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267101636 ZJEYWYDKWVPOPT-HZPDHXFCSA-N 446.357 2.323 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)OC1(C)C 2267140698 SHWJBSJXZNFSTE-NLWGTHIKSA-N 436.365 2.349 30 10 IEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2267144761 BMMCFYFOYDGCIQ-CQSZACIVSA-N 448.373 2.109 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)n1 2267493852 AHCYSVJPLBATMK-UYAOXDASSA-N 436.365 2.066 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267501826 DHHFWAAVCIPDCI-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267522942 YJYTXHWCCWHAPM-JLCFBVMHSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(CC2CCOCC2)C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2267578643 JRWZXTPKKIGAFJ-UHFFFAOYSA-N 448.369 2.496 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2268719587 HATPKHQCWRHFMX-PAVFIEEWSA-N 446.353 2.020 30 10 IEEE COCCn1cc(C#C[C@@H](N)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318058261 ZSRQSIRYWHPWBP-YADHBBJMSA-N 441.576 2.234 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)cc1C#N 427263500 USKWWGYBMXQKKD-UHFFFAOYSA-N 428.518 2.278 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 443335255 SGXBMUVOEVGAGR-HTWSVDAQSA-N 433.530 2.024 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCOC)Cc1ccnn1C 460564991 NLWMTNNVBZFJJR-UHFFFAOYSA-N 444.561 2.311 30 10 IEEE N#Cc1ccc(CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)C2CC2)cc1 460898089 QIXIJDXGAMNGLL-AZUAARDMSA-N 441.557 2.400 30 10 IEEE O=C(Nc1nccs1)[C@H]1CCCN1CC#CCN1CCC[C@@H]1C(=O)Nc1nccs1 472573861 KRCINKDTDDARCP-HZPDHXFCSA-N 444.586 2.109 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 481065981 ZBYYLVOYQGHQCQ-UHFFFAOYSA-N 439.534 2.346 30 10 IEEE COc1cc(OC)cc([C@@H](NS(=O)(=O)c2cnc(C)c(C#N)c2)c2nccn2C)c1 489080545 VBIFDGUJSWCHSK-LJQANCHMSA-N 427.486 2.080 30 10 IEEE COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 492514552 NIOIVFYGRWUOMK-FQEVSTJZSA-N 444.495 2.379 30 10 IEEE CN(CC(=O)N1CCOCC1)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 503430914 USKGZTNTHRMLQZ-UHFFFAOYSA-N 440.525 2.111 30 10 IEEE C[C@@H]1C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO 504665039 GGXMRPUKBWXVHE-ZSCWNPDZSA-N 444.902 2.410 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3CC2)cc1 510283873 QNGKGDNMGLKUSQ-UHFFFAOYSA-N 430.526 2.409 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccn2)c1=O 527280057 OQZTVHHEWKDCSD-UHFFFAOYSA-N 447.564 2.197 30 10 IEEE COc1ccc([C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c2nccn2C)cc1 539183630 MVMWGZFAIFYBJV-QGZVFWFLSA-N 435.488 2.096 30 10 IEEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)n1 544756508 VDCIZXPNQGBORE-UHFFFAOYSA-N 425.492 2.472 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3csc(-c4ccccc4)n3)CC2)c1 556230497 QSQRWOLTBUTUJM-UHFFFAOYSA-N 432.509 2.042 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)C2)c(F)c1 561725044 NGSHTVPZEMXWRU-MSOLQXFVSA-N 442.516 2.103 30 10 IEEE CN(CCO)S(=O)(=O)c1ccccc1CNCc1ccc(C#N)cc1C(F)(F)F 582270807 VMXFPJUUSZKISD-UHFFFAOYSA-N 427.448 2.480 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCOC[C@@H]1CCOC1 731560220 RRWRUOKNWMSTHN-BEFAXECRSA-N 442.541 2.212 30 10 IEEE C#CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@H]1CCOc2ccc(Br)cc21 733112661 OSBZGERZPYXMQA-AWEZNQCLSA-N 434.290 2.065 30 10 IEEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](c2ccc(F)cc2)O1 741733550 WMWZNGLYQRYATM-KDOFPFPSSA-N 431.489 2.243 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H]1CCOc2ccccc21 742144365 HQKNZVPNUDMXEN-IBGZPJMESA-N 449.532 2.150 30 10 IEEE C[C@H](CC(=O)NCc1ccc(F)c(CN(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 742680654 VEVWRZXFCLUBIO-CQSZACIVSA-N 432.521 2.021 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1=O 751325304 INCHEPLEZADWRS-OAQYLSRUSA-N 449.552 2.286 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@H]1CCS(=O)(=O)C1 753317530 LPUUNRYGKGIJDR-CIAFKFPVSA-N 429.586 2.119 30 10 IEEE COC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1Br 756137342 LSMQAVHXQZUCSN-UHFFFAOYSA-N 446.257 2.371 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@H]1C(=O)O 757273922 FTSAJNXBPCOTFI-YADHBBJMSA-N 448.475 2.229 30 10 IEEE N#CCCN(CCC#N)C(=O)COC(=O)c1ncc(Br)cc1Br 759746086 RHBUXTMPDRIUGZ-UHFFFAOYSA-N 444.083 2.419 30 10 IEEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 773583762 WZTHBYQYTRXIIM-HHXXYDBFSA-N 427.505 2.220 30 10 IEEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)cc2F)CC1 781595974 PZOWROJLINEIHS-UHFFFAOYSA-N 434.468 2.097 30 10 IEEE COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 786909747 SEEHVHYERREDIB-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](CC)(c3ccc(Cl)cc3)C2=O)n1 788370679 WMLCKMSNRSHKBE-QFIPXVFZSA-N 443.935 2.433 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(c2cccc(Br)c2)CC1 803677694 HJDKKZIEJGVDJR-HNENSFHCSA-N 433.306 2.014 30 10 IEEE COC(=O)CCCONC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 808821160 XBCUNKCUUNFUHU-OQKWZONESA-N 440.522 2.286 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ncn(-c3ccccc3)n2)C1=O 814707117 KGTVFDWPZWQXBA-SFHVURJKSA-N 445.508 2.407 30 10 IEEE O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 820173970 FMKIYNXIHCFPHW-MRXNPFEDSA-N 432.274 2.350 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)cc(OC)c1OC 916201623 VHUHVVKQMGDLLW-UHFFFAOYSA-N 433.489 2.260 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1 916711795 RBLKRAOKBRMBPF-PLRJNAJWSA-N 443.529 2.051 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 916774836 FTJSTSKKHRSWJE-UHFFFAOYSA-N 438.914 2.164 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 916775752 GXVIANGPYQFCTB-UHFFFAOYSA-N 439.537 2.376 30 10 IEEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3Br)n[nH]2)cn1 1084120455 HANSLGXNTCDTGU-UHFFFAOYSA-N 435.311 2.478 30 10 IEEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)c1C 1084436224 CGQLLWNLBGBKKF-UHFFFAOYSA-N 432.539 2.141 30 10 IEEE C[C@H](Sc1nc(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cs1)C(N)=O 1131370376 MBJAKQPEXSNJJW-ZDUSSCGKSA-N 430.555 2.345 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 1144429367 SRVMURMCRJKZQD-FOCLMDBBSA-N 426.951 2.481 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(O)C1=O)c1ccc(Br)cc1 1159325074 QMSBSDPVMOMMTO-ACJLOTCBSA-N 442.310 2.295 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1160432992 FUKXCGIGRRLHFB-LPHOPBHVSA-N 447.557 2.334 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C1=O 1270494115 VOBYVYQWRYTRKZ-RBUKOAKNSA-N 426.517 2.208 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1276637861 MOXWHSFDMVOBNG-LRDDRELGSA-N 449.356 2.335 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286388263 MSXJOKYQWAPNBS-HKUYNNGSSA-N 445.589 2.205 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccco1)N1CCCC1 1286397655 OPMDNEMGLMOOLU-IBGZPJMESA-N 443.511 2.428 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286559244 VQPLMSWSKCXUHF-QFBILLFUSA-N 425.599 2.072 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286673630 ZOFJJMBIBMUDMD-LJQANCHMSA-N 432.613 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CCC1CCOCC1 1286820147 FUPKYFLBAVUAPJ-GOSISDBHSA-N 426.583 2.373 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286964639 JZZVYDUKGYLLCN-JFIYKMOQSA-N 431.566 2.073 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCS1 1288775067 BSMLRCNUHQXVRR-RHSMWYFYSA-N 434.591 2.292 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300340172 VUGTTYXTTIOROK-KRWDZBQOSA-N 444.561 2.132 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300394111 MAYOSOWTZMWGER-GOSISDBHSA-N 445.589 2.475 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nnc2n1CCC2 1300653413 MKFUFAASXCXPSI-INIZCTEOSA-N 439.495 2.229 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)c2ccccc2)CC1 1300683041 VMYNAIHETBWFKX-HXUWFJFHSA-N 445.527 2.068 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2CCC(OC)CC2)CC1 1300685228 JOTFSUXDPMZKBO-VUNKPPBISA-N 445.608 2.281 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1300848414 FSTVFUNFQPYAJP-CQSZACIVSA-N 428.356 2.219 30 10 IEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1301033163 GGWLLUKRWOCWHP-NRFANRHFSA-N 441.923 2.129 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301174686 SUNJUBPAPAYIAJ-LJCCNALRSA-N 441.598 2.017 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1301217932 IGUHWDGGNUGUAE-INIZCTEOSA-N 435.532 2.343 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1302978933 MAASXPLBKXCKPU-ZHRRBRCNSA-N 437.454 2.265 30 10 IEEE C[C@](O)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1303889354 CTEXPOGARLRPIH-VQTJNVASSA-N 444.492 2.212 30 10 IEEE Cc1ccoc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1304103943 CIVHTVYGBFYBOX-UHFFFAOYSA-N 447.543 2.413 30 10 IEEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1314774059 HFHUTKAYQBKCRS-OAHLLOKOSA-N 428.543 2.344 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)C1 1323717731 BQCCJDJEZDPKRH-QGZVFWFLSA-N 448.589 2.340 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1358897536 AUNKQTPVEASVCI-INIZCTEOSA-N 433.578 2.162 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CC=CCC2)c1 1358901981 BVLNDITXAFDJGK-HXUWFJFHSA-N 434.544 2.100 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358957920 CTCBWUZGOFIJQZ-OALUTQOASA-N 445.589 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1358978828 VYOCARYROWONJC-YADARESESA-N 433.560 2.076 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1358980149 LRJBANFFHBATEJ-NRFANRHFSA-N 444.539 2.351 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@H]2CCOC2)cn1 1358997280 MFUUXDPUXUAIJZ-NRFANRHFSA-N 446.559 2.003 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OCC(F)F)CC1 1359034731 BJAHMTDHAOYGRS-GOSISDBHSA-N 446.502 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1359336341 MMQMMIAMZKYOAS-GUDVDZBRSA-N 438.594 2.373 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359344784 IVBMYAUTABQTFW-FQEVSTJZSA-N 428.606 2.342 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCc1ccccc1F 1360248702 VCEWHFLFFRCKFI-MRXNPFEDSA-N 432.525 2.218 30 10 IEEE C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)c1ccc(Br)cc1 1436651794 SEOMHBZHGGKGFB-QRQLOZEOSA-N 428.286 2.233 30 10 IEEE Cn1cc(C(=O)Oc2c(Br)cc(C#N)cc2Br)c(O)nc1=O 1437081388 IYHNQWNELHWGDI-UHFFFAOYSA-N 429.024 2.102 30 10 IEEE CCS(=O)(=O)c1ccccc1CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1446023613 MJRMRNSRTRFCSB-UHFFFAOYSA-N 427.526 2.494 30 10 IEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 1465553474 BNLDXSGYMAPVCC-SDMNGIDPSA-N 434.464 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)nc2C1 1467530231 LNRILJZUZIOCOM-UHFFFAOYSA-N 426.473 2.424 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1467571597 HUDWLSPRJXNVSQ-OTYXRUKQSA-N 437.743 2.461 30 10 IEEE COc1ccc(CN2CC[C@H]2CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470033269 PMDSNYFSQDLQEN-GMAHTHKFSA-N 447.539 2.241 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccnc(-c4ccccn4)n3)C2=O)cc1 1470035178 ZFOXFVWAAOSHGF-FQEVSTJZSA-N 427.468 2.011 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1Cc2cnccc2NC1=O 1471654904 NXLNCWVNOJQMNC-WOJBJXKFSA-N 447.495 2.467 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1ccccc1F 1471897180 JKXSVONGGPUSSR-KRWDZBQOSA-N 447.532 2.144 30 10 IEEE COC(=O)c1ccc([C@@H]2CCCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n1C 1472379100 WYFDZLQBZQVLKX-IBGZPJMESA-N 443.525 2.352 30 10 IEEE C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1473824424 IMQYTYRIVFDSBN-QSAZIKIQSA-N 437.521 2.115 30 10 IEEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)cs1 1498418145 MUNVVOSJYQIRCO-ZDUSSCGKSA-N 437.595 2.086 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1503374056 LIQHDEZKIQTDRS-OAQYLSRUSA-N 426.546 2.150 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1504660644 SSESSBJILCFIKH-SFHVURJKSA-N 449.515 2.352 30 10 IEEE COCCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504832658 CDALPEDDXUSNRU-SFHVURJKSA-N 426.521 2.079 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1507572033 VQZGCACWSUTEAQ-UHFFFAOYSA-N 430.459 2.281 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCOCC1 1507610062 DOZUDTMNABTMBF-SFHVURJKSA-N 446.596 2.183 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507626766 BVNOLTQIDVUIMJ-MRXNPFEDSA-N 429.571 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507708402 HQFBRYWGUPZFFP-UHFFFAOYSA-N 438.507 2.383 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccccc1Cl 1507710108 ISHXDTDVYOXIKO-OAQYLSRUSA-N 426.908 2.382 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1508081378 YJOUUFMGZXIROT-UHFFFAOYSA-N 433.516 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1ccc(OC)c(OC)c1 1508149951 YUCMPDUFSFJXBB-UHFFFAOYSA-N 432.506 2.040 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1517529562 PTEZGROCBXTVCZ-HXUWFJFHSA-N 436.516 2.036 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1518590169 BLHXCDJZHUMDEB-NRFANRHFSA-N 448.527 2.399 30 10 IEEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1519018605 FCCIKCDDOAPVCF-VQTJNVASSA-N 438.532 2.495 30 10 IEEE N#CCOc1ccc(NC(=O)c2ccc(I)cc2-n2cnnn2)cc1 1523292354 OYRCOVNTHNDVIR-UHFFFAOYSA-N 446.208 2.422 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(-c3ccccc3C)nn2)c1 1526853406 KGHYMESELULVDH-UHFFFAOYSA-N 429.480 2.063 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)c1 1527211461 LNVMFYQYVWECRX-SMKFHGBISA-N 427.486 2.026 30 10 IEEE C=CCn1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)nn1 1529264637 FYJDHFUWCDNMBV-UHFFFAOYSA-N 443.554 2.203 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)cc2-n2cnnn2)c1 1534302714 AMSITGXOWZXPNA-UHFFFAOYSA-N 439.273 2.117 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)CCc2cccc(C#N)c2)C1=O 1535482521 WJARNDABVSUYIS-DEOSSOPVSA-N 434.496 2.343 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)COCCO1 1538983613 URSVJFQDWHTIOY-QRQCRPRQSA-N 430.505 2.234 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539224164 CUGGANLUGISJGN-LJQANCHMSA-N 428.558 2.109 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC1CCCCC1 1539286063 UGYAWLMXJXLFLI-UHFFFAOYSA-N 443.555 2.428 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnccc1OC 1539390789 VQHNKOBIFYYJHG-IBGZPJMESA-N 434.475 2.460 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc(C(F)(F)F)cs1 1539413013 GSAVQCNHAIAMSY-LBPRGKRZSA-N 442.467 2.033 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccncc2)CC1 1539476575 BTYQTDXZFKHDFD-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)CC1 1539890562 PUTWXMMWNPTXQZ-SFHVURJKSA-N 430.578 2.092 30 10 IEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539961332 UWJNEWLXJXBLOA-IBGZPJMESA-N 438.580 2.224 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1540007245 ZRGGBZSWJRPGKF-IRXDYDNUSA-N 437.610 2.278 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C)C1=O 1540191276 JIDJKXLAKNSFEZ-GOSISDBHSA-N 437.342 2.153 30 10 IEEE COc1ccc(CN2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1540648198 AEQGIRUUMVUMQS-UHFFFAOYSA-N 445.516 2.480 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC)c1 1540814911 XNCXNEFTVRTZIA-HNNXBMFYSA-N 431.942 2.247 30 10 IEEE C=CCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861547 WJUVQGMFCRFKHV-LGVFNWMJSA-N 446.640 2.500 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)[C@H](CC)C1 1540867618 BKTKMJYOJGQYPT-QGZVFWFLSA-N 446.983 2.448 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)nn2C)C1 1540895504 UAVQKAXENNYFLH-KRWDZBQOSA-N 441.561 2.141 30 10 IEEE CC(C)OCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1541763419 YZMKMEUGOWHBJY-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE COc1cc([C@H](C#N)NC(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)cc(OC)c1OC 1542479230 DNBLMLAXVGFDIG-CABCVRRESA-N 437.493 2.323 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)c1 1542741338 HDXVCHXFISKYFF-PMACEKPBSA-N 431.602 2.114 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1546857689 VSFKIBVFEPQZRV-XDHUDOTRSA-N 449.559 2.228 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1552749316 FUSQLYBNMAOOJT-WIYYLYMNSA-N 446.552 2.131 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1555385495 FZVQQCCNOOYXDA-HXUWFJFHSA-N 433.516 2.178 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1555637396 RKVCLDLZVGRSLN-HRAATJIYSA-N 440.483 2.073 30 10 IEEE COCCOCCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555721487 GTZDQALFQPIWRN-UHFFFAOYSA-N 433.516 2.201 30 10 IEEE COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556581785 XWJGKVDSPSGMBS-WMLDXEAASA-N 432.473 2.273 30 10 IEEE CN(Cc1ccccc1)C1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1565323303 UREIELHNRCBMEJ-UHFFFAOYSA-N 448.571 2.466 30 10 IEEE C=CCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc(OC)c1OC 1583704652 JDGPXNSIXBZNCZ-MRXNPFEDSA-N 439.530 2.013 30 10 IEEE COc1cccc([C@@]2(C)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 1584630306 NWJYKQKYPVCBOL-ZHRRBRCNSA-N 427.526 2.424 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)OC)C2)ccc1F 1586638405 IWBNRLVFEBJJLL-QGZVFWFLSA-N 432.473 2.203 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCC 1587580238 OGIDGBQATZDBFZ-KKSFZXQISA-N 433.578 2.204 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1587652069 UINVVLXUMXEALK-FQEVSTJZSA-N 444.587 2.307 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1587851647 LMZPNYOIJYOZMM-QZTJIDSGSA-N 439.495 2.182 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1588053565 FTMKOBWFJIEWMK-ZIAGYGMSSA-N 440.978 2.172 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2c(F)cc(C#N)cc2Br)cn1 1588057869 FOJVFKWFLVJOPN-UHFFFAOYSA-N 428.239 2.324 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H](O)CC3(CCOCC3)C2)C1 1588190346 GQMVFHKZYAUTOM-KRWDZBQOSA-N 434.334 2.147 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCc2ccc(OC)c(OC)c2)CC1 1588891142 LYNHMYGDMSJZTF-UHFFFAOYSA-N 425.533 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2=CCCOC2)CC1 1588946646 GSQIVESQZQZOMC-UHFFFAOYSA-N 437.519 2.321 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)cc1 1612133244 STIDTCFGYMKMNA-UHFFFAOYSA-N 446.577 2.235 30 10 IEEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1614274194 NQHIUPAFZXTAEW-ARJAWSKDSA-N 435.532 2.357 30 10 IEEE CCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617180425 VRRGIOUVPNHBOR-KRWDZBQOSA-N 426.521 2.175 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1618258945 UMMVMLYRTBPFHL-UHFFFAOYSA-N 447.561 2.026 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1618365134 HZAUIYVURVNUIO-RTBURBONSA-N 438.532 2.259 30 10 IEEE COCCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619811094 LCCDOYVABDXUMT-UHFFFAOYSA-N 437.552 2.330 30 10 IEEE C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1623809904 OFDPCPAZGZPMTD-KDOFPFPSSA-N 433.350 2.079 30 10 IEEE C=CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1626384254 AIJWPIVWWVKMLU-ZDUSSCGKSA-N 432.445 2.324 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 1626672210 NNSDLKKAZFIEMG-HXUWFJFHSA-N 438.528 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1627244458 YKIKPHUJFXMXLF-LJQANCHMSA-N 443.548 2.039 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(c3nccc(OCC)n3)CC2)c1 1630298750 NEZSHSJOKAWRCU-UHFFFAOYSA-N 442.541 2.025 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2[nH]c3ccccc3c2C#N)C1 1634269364 HEEYSJPTHJOEHL-AWEZNQCLSA-N 446.529 2.194 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN4C(=O)N(CC(C)C)C[C@H]4C3)n[nH]2)c1C 1634673121 BCPMFOKYNLUCJP-QGZVFWFLSA-N 425.537 2.294 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(F)c1-c1nc[nH]n1 1635314589 GILIYRFHRUMEKS-UHFFFAOYSA-N 428.449 2.068 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)s1 1636205469 XOXOOXGTYIIAOM-OAHLLOKOSA-N 428.576 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCc4c(sc(N)c4C#N)C3)CCC2)C1 1636719782 SDTFQSZZXWFUJO-UHFFFAOYSA-N 432.546 2.239 30 10 IEEE C#C[C@](C)(CC)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1636941933 WNZWIKOQXPEWGP-OPAMFIHVSA-N 428.558 2.463 30 10 IEEE C#CCN(C(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@@H]1CCCc2ccccc21 1638318414 QYCFHPRRFRCBLZ-JOCHJYFZSA-N 432.524 2.141 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2n[nH]cc2I)c1 1640979526 XBKDYWNKRKEQRF-UHFFFAOYSA-N 429.239 2.064 30 10 IEEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1648613021 OTFJOKSQQLCXJV-NOVUIFNWSA-N 443.614 2.387 30 10 IEEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)[C@H]1CCCc2ccccc21 1652652930 DBQOULAYWRAZRA-JXFKEZNVSA-N 428.558 2.243 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCC4(CCCC4)O3)CC2)cc1 1674050895 QZFZHTUQSYKBME-GOSISDBHSA-N 432.546 2.066 30 10 IEEE CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)c2)n1 1684862680 BULQVEWLUGHQKV-LJQANCHMSA-N 430.468 2.487 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689987921 FLGHJQOWLSAGLI-IRXDYDNUSA-N 440.573 2.003 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1690061487 ZHNPHBMKPVPXLE-LJQANCHMSA-N 442.507 2.221 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)CC1 1690115306 AQWBMSOWOCYWPZ-UHFFFAOYSA-N 426.952 2.399 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690181333 VISGLNZKWPMKLH-QHCPKHFHSA-N 441.601 2.401 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 1690241139 PAELTYCRUSGYCV-GUXCAODWSA-N 441.532 2.255 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCOCC1 1690602373 NXVMVFZEIORWES-UHFFFAOYSA-N 449.559 2.196 30 10 IEEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1691308314 XVOWOFQPBHYJGC-UHFFFAOYSA-N 446.577 2.150 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H](C)O1 1693835571 TZZFGMIMLGMUON-GPMSIDNRSA-N 438.532 2.257 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCCC)c1 1705540709 KSCUOLRFECOLNO-UHFFFAOYSA-N 431.500 2.183 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 1705559734 FGEMOIYRRFXKCW-OAHLLOKOSA-N 430.559 2.081 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705566894 RJEFMVPIVKNGPD-SFHVURJKSA-N 439.541 2.151 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc(CN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1705569871 HUHGLKAHVJJWAN-NRFANRHFSA-N 441.601 2.111 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1705581365 ZWPQENSKOYBUHY-JOCHJYFZSA-N 441.539 2.212 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCOCC1 1705589869 YNKVFZFVSQGXEM-UHFFFAOYSA-N 448.571 2.332 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](CC)OC)CC1 1705643582 LFWXLQFJQOSXBC-OTWHNJEPSA-N 446.596 2.229 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(OC)C2CC2)CC1 1705649962 JROHRHAOMJEUET-DEOSSOPVSA-N 436.560 2.045 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1705728443 KVIXEDCYKDBBNP-KRWDZBQOSA-N 448.568 2.397 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NC 1705885030 FHDCUDVBZCSGQX-SFHVURJKSA-N 429.521 2.202 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1705905242 OVCBSKMIWRTXHI-GOSISDBHSA-N 440.939 2.258 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccncc1 1711245055 NGPOUWAQMTWYEJ-MRXNPFEDSA-N 442.321 2.413 30 10 IEEE COC[C@H](F)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1712181570 BZXZJILVVKDNJB-GXNBUGAJSA-N 440.495 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@@H]1NC(=O)NC1=O 1722294504 XDFKIHWWKMECSI-HOCLYGCPSA-N 433.472 2.046 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1722297157 XXVATTLHNNHTPQ-PNLZDCPESA-N 435.569 2.451 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722297233 FMPFVWOZYNJDJV-QGZVFWFLSA-N 438.557 2.020 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1722332483 LSCXDTBNCYMFSG-IERDGZPVSA-N 432.500 2.442 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1722473856 IDBAWXALDAQZAP-NNMXDRDESA-N 433.622 2.437 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1722539170 IEJHLOMSKVAFQS-UHFFFAOYSA-N 446.515 2.100 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722589753 WNBVOUBLLHXSBH-IBGZPJMESA-N 429.569 2.083 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722688820 MGQHNYIALZMRJU-IYOUNJFTSA-N 446.379 2.324 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722703058 UQUHIZUDCSHJGF-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1722705024 SCIWSRDEVOHXSV-RTBURBONSA-N 446.573 2.409 30 10 IEEE CC(C)NC(=O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1723651638 HQKVTQGSQQUCFU-UHFFFAOYSA-N 427.528 2.438 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1727302531 BJPUTOQAEICPEE-NRFANRHFSA-N 428.562 2.479 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1728079592 JFQOBJCOUPNTBW-WOJBJXKFSA-N 449.559 2.228 30 10 IEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1729999887 MUBCWPBYHSDSPQ-YWZLYKJASA-N 433.896 2.141 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1730403067 FNOVCKBZIIYWRJ-WOJBJXKFSA-N 438.532 2.074 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1730680072 SSHMDFXUGWBUPR-UHFFFAOYSA-N 438.532 2.262 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1730917587 ADUYZDKTNMZATM-FDDCHVKYSA-N 441.532 2.254 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740573530 FEQOKSUDNHPTHP-IBGZPJMESA-N 449.621 2.067 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)(C)C 1740578168 YOTDYKCEZWBXGN-UHFFFAOYSA-N 430.578 2.424 30 10 IEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740587495 MCOBPPXHJGLNTC-UHFFFAOYSA-N 433.520 2.054 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCS(=O)(=O)CC 1740587575 OPKIHWYQERUZBX-UHFFFAOYSA-N 426.546 2.415 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740622134 VCEKEPPKRUXSTC-SFHVURJKSA-N 430.578 2.132 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1740656736 RLWYLZHQDGBPCR-NRFANRHFSA-N 425.577 2.280 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1740758798 BZFGUAWPGADMSL-APWZRJJASA-N 445.593 2.076 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740868685 QIGPUPRMNZNLQO-UTKZUKDTSA-N 433.578 2.261 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1740890540 AYYUKXYECNZUJC-QGZVFWFLSA-N 432.594 2.155 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1)C1CC1 1740910980 VNMKTXWJPMTUDC-OAHLLOKOSA-N 426.608 2.247 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1740913924 IYDPDRRDHRQTRQ-GOSISDBHSA-N 446.573 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[C@H](C)C1 1740988515 HKMGKHQJSTUUIZ-HZPDHXFCSA-N 432.546 2.409 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(C(C)(C)C)no2)CCOC1 1741731583 JMYGJHCHSNEWSJ-HTAPYJJXSA-N 444.536 2.381 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1746674752 HISDXMUFNPFXQJ-JOCHJYFZSA-N 439.520 2.072 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)CN(C)C)c1 1748692409 GREWPVRUHDFKSF-IBGZPJMESA-N 438.576 2.426 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1748730363 KBSJIOHZTHUDDE-UHFFFAOYSA-N 440.523 2.402 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1748759708 MZCVRZUYVIMPGU-UHFFFAOYSA-N 431.562 2.097 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN(C(C)=O)C1 1748774197 WLPYPTRTZPVPOA-OAHLLOKOSA-N 433.354 2.374 30 10 IEEE C#CCN(c1nnc(C)n1CCCc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1748805376 QPIGRJMWSLKCAD-LJQANCHMSA-N 446.573 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(O)c1 1748887086 SJIQIHMUZASXKV-UHFFFAOYSA-N 448.552 2.455 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C)CC1 1749095745 BECRUWDJBPMKDU-UHFFFAOYSA-N 442.325 2.069 30 10 IEEE CO[C@H]1COCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749238682 VVGFYSFKGYOIBS-KXBFYZLASA-N 440.548 2.453 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749451734 DZBSVNIDUIWERG-UHFFFAOYSA-N 440.552 2.280 30 10 IEEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1749493677 JCPWOAPJMJFLDX-GOSISDBHSA-N 435.550 2.084 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749642431 FKESTURWTBFEDG-UHFFFAOYSA-N 436.495 2.422 30 10 IEEE C[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)Cc1ccccc1 1751110056 ADZJRDQQLVBDGI-GHTZIAJQSA-N 434.548 2.318 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752709599 MGNRMESMDNIYID-QNWGQDPCSA-N 441.580 2.383 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760184943 ZLPZRSNBAUERPF-WBVHZDCISA-N 434.587 2.332 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1760229716 CCDZPUFUCGHFIN-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@H]1C 1760518163 KPTBVCLCGCKPAJ-GFCCVEGCSA-N 438.301 2.374 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1760522266 PDVYLRVJTTWUBM-GOSISDBHSA-N 439.564 2.337 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760523606 CPPAGYPSDRYFDX-WOJBJXKFSA-N 443.640 2.233 30 10 IEEE CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1762155241 GSKYBGDFPKSCMN-UYAOXDASSA-N 445.612 2.247 30 10 IEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1763983351 UPAPURMPUFZBDT-FQEVSTJZSA-N 426.521 2.260 30 10 IEEE CCC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)OC 1765565679 DGCLSGNVLHZURK-QRQCRPRQSA-N 439.495 2.449 30 10 IEEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCC#N)CC2CC2)C1=O 1767509112 XBSYSVYTQINKLZ-HSZRJFAPSA-N 433.516 2.337 30 10 IEEE CN(CCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1768891960 CODRCWUHIPFTTF-GOSISDBHSA-N 441.536 2.250 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC(=O)N1 1769840974 AXSHMQXDTFTBOK-MRXNPFEDSA-N 447.337 2.353 30 10 IEEE COc1ccc(COCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1770246238 BWCBGLSJFHCQMV-SJLPKXTDSA-N 447.561 2.001 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCCOCC(F)F)cc1 1771533700 VTZWWGVBCQMUEI-OAQYLSRUSA-N 433.459 2.484 30 10 IEEE CCOCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1772886443 FCQBIKWNWKTZOZ-XDOYNYLZSA-N 449.515 2.426 30 10 IEEE Cc1[nH]nc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1Br 1851999393 HRLADGOWSFWSRI-INIZCTEOSA-N 449.305 2.289 30 10 IEEE Cn1nc(C(F)(F)F)c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1Cl 1852438066 VEJLRGIBELQAEM-UHFFFAOYSA-N 442.829 2.338 30 10 IEEE Cc1ccccc1N(C(=O)[C@H]1CCCN1S(C)(=O)=O)c1nccc(N(C)C)c1C#N 1853240899 FYZKLILLEZRZIQ-LJQANCHMSA-N 427.530 2.416 30 10 IEEE CN1CCN(C(=O)c2ccccc2C(=O)Nc2c(C#N)cnn2-c2cccc(Cl)n2)CC1 1853360470 JOKUJJNJNOPBMT-UHFFFAOYSA-N 449.902 2.432 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CCN(C)CC1 1857019275 OUWCWRALGRMCGF-GOSISDBHSA-N 431.558 2.173 30 10 IEEE CCOC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)n3ccccc23)CC1 1858242157 RZKBNDIFHAZDFC-UHFFFAOYSA-N 446.467 2.373 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2F)c1 1862555210 BXOFBDSEKFZJLQ-FQEVSTJZSA-N 425.460 2.318 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F 1862735273 HCEAUBOKMJDUPK-SFHVURJKSA-N 427.388 2.448 30 10 IEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933711 MWYVZGQGSMGRCX-OALUTQOASA-N 444.557 2.019 30 10 IEEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(C#N)nnn2Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] 1870113317 YTDJRWMSBJBQRC-UHFFFAOYSA-N 432.356 2.447 30 10 IEEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN1CCN(CC)CC1 1870373654 MWKSSTZTALLMKZ-UHFFFAOYSA-N 435.528 2.400 30 10 IEEE CN(C)c1ncc(/C=N/n2c(SCc3ccc(Br)cc3)nncc2=O)cn1 1873494692 FQIORSRQHGFYSB-LSFURLLWSA-N 446.334 2.431 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 1991981749 IDZXKPVUAOCVDY-SFHVURJKSA-N 434.558 2.461 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124534445 ICRJYHRXXUWCGZ-SFHVURJKSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CO)(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 2216312569 YNWDQSUDWFNFJK-KRWDZBQOSA-N 438.569 2.441 30 10 IEEE COCC[C@@H](CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255649431 UCSNJDZMNCEYHD-AWEZNQCLSA-N 438.330 2.238 30 10 IEEE COCC[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)NC(=O)OC(C)(C)C 2255846408 QCXAFGLWVYKDHI-CQSZACIVSA-N 438.330 2.238 30 10 IEEE CCON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2255852194 AMXBASNISCCJMF-UHFFFAOYSA-N 435.330 2.327 30 10 IEEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255953579 KXTKMKOEBLVWOI-UHFFFAOYSA-N 432.326 2.288 30 10 IEEE Cn1cc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)nc1CNC(=O)OC(C)(C)C 2258957976 SFXHXGVTTIPMKF-UHFFFAOYSA-N 432.330 2.200 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)(CO1)C2 2267012727 YZYZJBOVLJQUOF-UHFFFAOYSA-N 448.325 2.135 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267136638 HBADOSYDXUSACX-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2267143202 FAUKCKYOFCXOGB-ZBFHGGJFSA-N 446.357 2.180 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2267163504 HPDGBXWZOQUJAG-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(Cc3ccccc3)CCC2)n1 2267181301 QMYJRKAYLQHZMV-UHFFFAOYSA-N 438.381 2.458 30 10 IEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267183485 NQQAFLLFTCCHKC-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2267503966 LRMFHHBRAABRHQ-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267504924 ZZGXXLXGMNDUKF-GTQRCTGISA-N 448.325 2.133 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267815289 GZTGQBSSBOCKLY-HSZRJFAPSA-N 447.385 2.424 30 10 IEEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267870840 IWGHLWQCQMYFEY-PKOBYXMFSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268640513 XJNWJHNXMSTJHF-WMLDXEAASA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268706609 PPALGYBOXACKNP-KRWDZBQOSA-N 446.353 2.151 30 10 IEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)NC)CC1 2297650415 MMTLMUOQLYQRMQ-SJORKVTESA-N 437.466 2.427 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1 2317675864 OLUJTWXQUCVEOF-AWEZNQCLSA-N 438.330 2.157 30 10 IEEE CCOc1cc(C=NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1OC 2323404433 KMGPIKNPVBDUOK-UHFFFAOYSA-N 439.446 2.332 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccnc1 2330721875 KXUYSQGFMLIPBS-UHFFFAOYSA-N 427.465 2.061 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 483501308 FLABBZZPXUJSHW-QFIPXVFZSA-N 440.931 2.360 30 10 IEEE N#Cc1ccccc1N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 507293756 AHKNVCUQGUBAIZ-UHFFFAOYSA-N 431.540 2.101 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508746968 MCCINQZWZJTEDE-CQSZACIVSA-N 436.534 2.028 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 508847316 KIIVHOSWKDACJW-WMZOPIPTSA-N 443.548 2.314 30 10 IEEE C[C@@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C[C@@H](C)O1 522523600 BSGOIDDAAKRAOA-RTBURBONSA-N 447.539 2.459 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(F)cc3)c2=O)cn1 524274891 DLJFJCGSDJBWIV-UHFFFAOYSA-N 435.480 2.314 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCCS(=O)(=O)c2ccccc2)CC1 527335453 IBQKVGFJKVCWHH-UHFFFAOYSA-N 428.514 2.416 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 531369606 SQCFQEJQXKEYFK-ZDUSSCGKSA-N 427.551 2.140 30 10 IEEE COc1cccc(-c2noc(SCC(=O)N3CCN(c4ncccc4C#N)CC3)n2)c1 542567498 ANGAWSVWTGEQNW-UHFFFAOYSA-N 436.497 2.453 30 10 IEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 549278430 WXKYNZSAHSLYQP-UHFFFAOYSA-N 447.543 2.452 30 10 IEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N(C)C)CC1 558962806 BKPKLXDVBZWWOF-UHFFFAOYSA-N 435.532 2.073 30 10 IEEE CS(=O)(=O)Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 585843396 SLZAFYZHYGQJNQ-UHFFFAOYSA-N 425.510 2.137 30 10 IEEE C=CCNC(=O)NCCCNC(=O)c1cc(OC)c(OC)c(OC)c1Br 586451771 ODIQGZOOHXRMHD-UHFFFAOYSA-N 430.299 2.080 30 10 IEEE CCc1nc(CN2CCC(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cs1 586863610 UVJWZXBRWTZFJF-UHFFFAOYSA-N 443.548 2.361 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)cc(C(F)(F)F)c3)CC2)cc1 590419131 CXVAEAOHPFJLDU-UHFFFAOYSA-N 439.415 2.429 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccccc1C#N 614995581 RXLLQGJFWNIPPG-UHFFFAOYSA-N 441.512 2.434 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 619819480 OXEYDTZHGAOCDT-UHFFFAOYSA-N 429.528 2.075 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(OC)n2)cn1 726108907 KIWMKFFMLGBOSE-INIZCTEOSA-N 428.518 2.107 30 10 IEEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c(=O)[nH]c21 730406278 QNESADAZLQIQNX-XQRVVYSFSA-N 445.888 2.349 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CCN1C1CC1 733666554 VDRDIVJPSNKRQO-OAHLLOKOSA-N 426.864 2.060 30 10 IEEE COc1ccc(Cl)c(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)c1 743731583 UXCCNMWACNIHPB-UHFFFAOYSA-N 443.912 2.182 30 10 IEEE CCCN1CCC(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775180 OMNGPSXABSXDBA-LJQANCHMSA-N 434.606 2.378 30 10 IEEE C#CCN(CC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C)[C@H]1CCS(=O)(=O)C1 749842663 UZRAVEXIHGDMFE-IBGZPJMESA-N 442.537 2.170 30 10 IEEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1 765545276 SZEJPXLMRSQHHC-IBGZPJMESA-N 442.589 2.182 30 10 IEEE CCS(=O)(=O)N1CCC[C@@H](C(=O)Oc2c(Br)cc(C#N)cc2OC)C1 769716288 IMZUKBDLANAKTN-GFCCVEGCSA-N 431.308 2.296 30 10 IEEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 774164805 UBSLUILSLURVKD-HXUWFJFHSA-N 425.510 2.271 30 10 IEEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 774270117 BCYYQBWLTPPWSH-HNNXBMFYSA-N 444.492 2.054 30 10 IEEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 779679732 LASGVUDJLHYVDH-UHFFFAOYSA-N 426.521 2.352 30 10 IEEE C=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C(=O)OCC 785556016 XHHXOSQBRKTWLU-UHFFFAOYSA-N 433.438 2.492 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)cc2Br)n1 788693827 GCPOWXHWPKKLTB-UHFFFAOYSA-N 430.299 2.255 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)n1 788819022 DWJGNEIDUNQMAK-UHFFFAOYSA-N 441.509 2.372 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)n1 789221187 XPNULXFPJHGZGU-UHFFFAOYSA-N 431.537 2.242 30 10 IEEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2ccnn2-c2ccccc2)n1 789967394 LWQULCMWLTYYOD-GOSISDBHSA-N 434.529 2.493 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790297193 YZPFBFYCWCSLQM-JXFKEZNVSA-N 429.583 2.120 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CCCN1C(=O)OC(C)(C)C 790699101 SVHULTWEYCWDNW-ULYRPOKDSA-N 431.537 2.376 30 10 IEEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 794587196 HQTVQQUAHGQWPR-CQSZACIVSA-N 442.443 2.269 30 10 IEEE C[C@@H]1COCC[C@@H]1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 795183172 NGQBURMXJZGKMT-BFYDXBDKSA-N 438.619 2.420 30 10 IEEE Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 797724197 FJJBWICKYWCTKU-QTIQAUKSSA-N 428.489 2.203 30 10 IEEE COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccc(C#N)n2)CC1 802485081 SPGAVSIAFKMPSN-UHFFFAOYSA-N 449.515 2.202 30 10 IEEE N#CCCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 805696248 AURCWPWWVNAVFZ-GZTJUZNOSA-N 433.530 2.149 30 10 IEEE C#CC[C@]1(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 809536982 CQJSBXDAULUNCJ-YCRPNKLZSA-N 435.546 2.304 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@]1(c2ccccc2)CNC(=O)C1 811238864 FXSASROSDMVCRS-OSPHWJPCSA-N 435.480 2.331 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C#N)c(OC)c1 812251230 XSEJVOKTNQACGO-SFHVURJKSA-N 440.525 2.481 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1 812918331 QXSWTODGWCUJRM-XKBVJOOISA-N 432.468 2.465 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 911566425 DQQKHHJZSLYAFN-BMGOBEIKSA-N 431.533 2.414 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)C(C)C 925932883 QVFBKNHWDAHPPI-LAUBAEHRSA-N 447.513 2.125 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)cc1OC 1084527879 YWFUCTKXYRJJNZ-UHFFFAOYSA-N 427.490 2.215 30 10 IEEE Cc1c(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cnn1CCC#N 1127698585 DYEFVDRWIORORS-UHFFFAOYSA-N 433.509 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1135995038 VCWRHAGZURBXCY-LJQANCHMSA-N 443.548 2.356 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](CO)Cc3ccc(OC)c(O)c3)n[nH]2)c1C 1149972802 IAEIGUIUNDYHHU-QGZVFWFLSA-N 439.516 2.371 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181001725 WIRBTDXEGIIACX-DLBZAZTESA-N 445.520 2.068 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1195462833 DZFRACTZGCHEFP-IBGZPJMESA-N 429.586 2.486 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1c2ccccc2C[C@@H]1C 1227630396 AXPFFSYHZFWSRD-XGHQBKJUSA-N 445.523 2.325 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCNC(=O)OCc3ccccc3)C2=O)cc1 1256476484 CXPXASZMSXEQQZ-FQEVSTJZSA-N 435.484 2.279 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286319243 XYPDJRYLKPSHLL-UZLBHIALSA-N 425.599 2.333 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCN(C(C)C)CC1 1286358868 MMZGGVBUJHOJOJ-UHFFFAOYSA-N 438.576 2.452 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN(C)CCOC 1286365719 HWHCNYPVXQDSCJ-UHFFFAOYSA-N 436.354 2.364 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286386672 FSJXPUZYLXKNFJ-SJLPKXTDSA-N 431.562 2.028 30 10 IEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286398892 SMIXMVOWQCPSQK-OTWHNJEPSA-N 438.594 2.065 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)CC 1286420580 RMIKKMKUSLHRKQ-QGZVFWFLSA-N 432.521 2.455 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286505158 YZYSJWFKZWLDJT-GOSISDBHSA-N 425.566 2.095 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1286660670 PJPVMPVINGNVSA-IBGZPJMESA-N 443.573 2.225 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286793775 LVOVIWSQMZSPKO-IAGOWNOFSA-N 448.568 2.173 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)c1nccs1 1286820438 LPCJQOSEVXGILZ-CVEARBPZSA-N 439.607 2.469 30 10 IEEE C/C(=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)CN1CCOCC1 1291723409 WDBYHEKOFJXTQV-NVKTWUHYSA-N 448.589 2.497 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300488232 CAZVHQHASLXLEN-OALUTQOASA-N 428.558 2.387 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1300513107 WCFXEQTVSRBPOL-DEOSSOPVSA-N 441.576 2.040 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ncnn2C(C)(C)C)CC1 1300707835 LGGDCUHIUDOLGR-UHFFFAOYSA-N 448.575 2.316 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1301186379 XHFCBWHJPCAURM-MRXNPFEDSA-N 435.532 2.215 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1301481534 MQPDXFWCEFXKEH-GOSISDBHSA-N 438.532 2.201 30 10 IEEE C#CC[C@@H](COC)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1301823344 WUZKUHWLJJCUQY-NSHDSACASA-N 426.844 2.182 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1302031559 XCPJTOGZBPFJCW-BTYIYWSLSA-N 440.483 2.277 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(C#N)o1 1305977520 AAUXRQYEVCCQTQ-UHFFFAOYSA-N 443.529 2.413 30 10 IEEE CC/C=C/Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1306483905 JDJKVEXZBSBHGW-DWUINAILSA-N 435.576 2.338 30 10 IEEE CCNC(=O)C1(Cn2c([C@H](C)OCCOC)nnc2N2CCC(C)(C#N)CC2)CCC1 1313974969 JKGUIRMECFJPPL-KRWDZBQOSA-N 432.569 2.439 30 10 IEEE CSC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1316368306 YWIHSFZBINMBCR-UHFFFAOYSA-N 437.577 2.413 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1354355838 AXJHHZBNTFBKEU-GOSISDBHSA-N 446.598 2.050 30 10 IEEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)no1 1354942335 KLBZCBHLIGMTOW-OQKWZONESA-N 434.474 2.307 30 10 IEEE N#Cc1ccc(OCC(=O)NCCN2C(=O)c3ccccc3C2=O)cc1Br 1355834185 ZBTVAJMFXJYRHJ-UHFFFAOYSA-N 428.242 2.112 30 10 IEEE Cc1cc(C(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)ncc1C#N 1358056689 FTAPBEHAXGHUJK-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1358955952 XNMWAFXTGWKPLO-GOSISDBHSA-N 429.546 2.184 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)OCC 1359002682 JDAKUEUVJLDHEJ-UHFFFAOYSA-N 433.578 2.470 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1359039847 YPJFUOQDFKHRMW-LEWJYISDSA-N 426.540 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](C)OC)CC1 1359046577 XNXQAUSLTODUNS-KRWDZBQOSA-N 434.544 2.351 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359090005 SPFWNENEOHSNDG-XHSDSOJGSA-N 443.470 2.263 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1359306101 VUHYMPMQUKLCSM-YWZLYKJASA-N 427.496 2.102 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(NS(=O)(=O)CCC)CC2)cc1 1359306853 SFEFPBOARFCZBE-UHFFFAOYSA-N 433.578 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)C1 1359313199 IHRGXJSPGUSRMI-HCXYKTFWSA-N 433.553 2.392 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1359319718 DYQCKMQZKREAOC-HKUYNNGSSA-N 426.521 2.492 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1360062677 LLEKDWAHLXYCST-UAFUQJIBSA-N 430.553 2.254 30 10 IEEE C#CCN(C(=O)[C@@]1(F)CCS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 1435176728 XANFGLUJLKONNW-WMLDXEAASA-N 430.295 2.261 30 10 IEEE CC(C)C[C@H](C#N)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1435804270 VCIHLTSQRZGFDJ-VFNWGFHPSA-N 425.526 2.389 30 10 IEEE C=CCn1c(SCC(=O)N[C@H]2CCO[C@H]2C(=O)OC)nnc1-c1ccc(Cl)cc1 1437504554 UUJFFRGKLCTZCF-GOEBONIOSA-N 436.921 2.323 30 10 IEEE O=C(Cn1nc2ccccn2c1=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1439786368 FAQPYVITPOLSLX-IUCAKERBSA-N 444.282 2.125 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2ccccc2Cl)s1 1447365983 DCXUEISBZBDVRM-GOSISDBHSA-N 428.963 2.432 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@H](NC(N)=O)c4ccccc4)CC3)n[nH]2)cc1 1452949778 CRIBNNYJGQIYKQ-FQEVSTJZSA-N 443.511 2.397 30 10 IEEE C=CCn1c(SCC(=O)N(CC(N)=O)C2CCOCC2)nnc1-c1ccc(Cl)cc1 1455249846 JXTUABCMUBZATL-UHFFFAOYSA-N 449.964 2.370 30 10 IEEE C#CC1(F)CN(C(=O)c2cn(CC)c3cc(N4CCN(C)CC4)c(Cl)cc3c2=O)C1 1455275557 QWVJLOIBBKINQC-UHFFFAOYSA-N 430.911 2.224 30 10 IEEE CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc21 1462997893 LGOMXNQRQLYZBD-JTSKRJEESA-N 445.541 2.385 30 10 IEEE Cc1c(S(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)sc2ccc(C#N)cc12 1463328701 AFVSARGFTIXNBB-DZGCQCFKSA-N 427.573 2.078 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(CN4CCOCC4)CC3)C2)C1 1464227111 WHORPVZNUZHAQA-VIHQBZHPSA-N 446.592 2.344 30 10 IEEE C#CCOc1ccc(CNC(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 1467855094 NNHNTOVQBRAJDQ-UHFFFAOYSA-N 425.485 2.174 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1 1469726104 VMNRGHAGFUWJSQ-UHFFFAOYSA-N 430.530 2.164 30 10 IEEE COc1cc(CNC(=O)N2CCn3ncc(I)c3C2)ccc1C#N 1470083882 UQTHZRVAMYUSLK-UHFFFAOYSA-N 437.241 2.093 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2nncn2-c2ccccc2)n1 1492734218 GCQBLQXMUGZXNH-INIZCTEOSA-N 430.520 2.365 30 10 IEEE CCc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1498884609 YSBCYXOLKVRWBE-LNVKXUELSA-N 448.527 2.466 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@H]1C(C)C 1504887150 RRLQZMBVKOHCRC-UZLBHIALSA-N 444.536 2.433 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1505074471 TYYAHHWVEHVSDN-YDHSSHFGSA-N 446.596 2.243 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507572774 XDQAKUWCICPSCG-HNNXBMFYSA-N 435.454 2.412 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507580039 PZACUMLYJQCKIH-JOCHJYFZSA-N 425.489 2.407 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCNC(C)=O 1507645157 WBHLEBUUQDGWGM-UHFFFAOYSA-N 432.297 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1 1507658625 MVTDODQHETWEEY-UHFFFAOYSA-N 435.919 2.106 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1507669830 SMBGPXCPBVXHAY-QGZVFWFLSA-N 432.496 2.164 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cn(C)nc1-c1ccccc1 1507709972 HMAMBOMUWGNIPN-UHFFFAOYSA-N 428.500 2.270 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCC1(F)F 1507710704 JWJCDJHPCCSFIM-HOTGVXAUSA-N 430.521 2.092 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS2)n1 1507717182 QCQHRRYPVUNBFY-IBGZPJMESA-N 440.577 2.057 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC)CC1 1507738480 PQYAHBYCDNQNGJ-UHFFFAOYSA-N 447.543 2.051 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)N(C)C2CC2)CC1 1507740709 WXTFBKFUDZGCRO-SFHVURJKSA-N 426.609 2.459 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507747717 KFHAFBFUCDTMMH-INIZCTEOSA-N 438.561 2.281 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1507773984 PSVVOIDGYQQGBB-OXJNMPFZSA-N 433.603 2.451 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1507902774 GXQFWLLGZDCFPH-GOSISDBHSA-N 425.599 2.246 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507943178 WZOSSXZWLRUXTI-OAQYLSRUSA-N 429.546 2.031 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507952741 XWVGCXHNXXSQST-UHFFFAOYSA-N 442.486 2.262 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1508005094 TWHIJLOFOUTKGL-IBGZPJMESA-N 434.500 2.331 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1508093887 DMDTXNKQRLPSJD-UHFFFAOYSA-N 440.548 2.141 30 10 IEEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1508098458 PHVXKDNAGOYGGO-OAHLLOKOSA-N 444.540 2.172 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CC1 1508240928 HMGIHAIHMNJJPE-UHFFFAOYSA-N 426.431 2.125 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(N)=O)CCOCC1 1508413390 HPRZLCACKBYETR-AWEZNQCLSA-N 448.474 2.424 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1509584675 PPAIVWUVOVLICT-LJQANCHMSA-N 426.521 2.120 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1509946463 GXMBCFJJPQMFTP-QZTJIDSGSA-N 447.584 2.421 30 10 IEEE CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1512339644 XKKQSJMPQGQORJ-RBUKOAKNSA-N 436.626 2.431 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1513216572 FJKVWFZMRPTOQI-GHTZIAJQSA-N 449.552 2.323 30 10 IEEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1515246826 JGPGTUQRLRCINX-NPMXOYFQSA-N 434.500 2.076 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1516807547 FHRSOEAZESQFGB-UHFFFAOYSA-N 442.589 2.316 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539011268 DBJKIMIRBVVSMH-DOTOQJQBSA-N 435.981 2.262 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1539066061 OVEFOYFIXOBEQE-GOSISDBHSA-N 440.573 2.447 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1539079799 ZZBVPDHEGWWEIJ-UHFFFAOYSA-N 434.544 2.366 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539124078 KLZYVMAZNHJEQB-XMMPIXPASA-N 434.544 2.405 30 10 IEEE C#CCCCn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1539141069 RZVIQXFCTNOULL-MZKRTTBSSA-N 433.597 2.278 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1539225886 RXCFXGCJUUPIDJ-LMMKCTJWSA-N 431.537 2.029 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1nnc2n1CCCCC2 1539278730 JQQAIEGQHHYQPC-UHFFFAOYSA-N 445.527 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1539328373 QTEMHUUYFWUIRI-JOCHJYFZSA-N 448.615 2.366 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539616656 RTPDKQBJCGZLIS-DYXWJJEUSA-N 432.613 2.419 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 1539830131 OBYDQOHMATVWLC-UHFFFAOYSA-N 426.912 2.195 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540858634 OXBKHUFWVGKUOV-HNNXBMFYSA-N 439.532 2.441 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540880571 KNWGVDGQYIPVOB-PXNSSMCTSA-N 425.533 2.452 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1540917363 ULROXRYXFMZLLZ-IAGOWNOFSA-N 428.624 2.351 30 10 IEEE CC(C)OC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541740234 OSLKGFOSAMQEPK-VHEBQXMUSA-N 430.553 2.496 30 10 IEEE C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1544421786 UPBLVVFFYJMNJP-JJIVNBJUSA-N 439.578 2.245 30 10 IEEE CCn1cccc(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1547627533 CWTXXPWCYKQWDE-NRFANRHFSA-N 432.528 2.412 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[C@@H]2COCCO2)cc(OC)c1OC 1554733317 PZIODOXUOHXLOX-DOTOQJQBSA-N 445.520 2.372 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1555465539 UXOXNAXSXXBKBB-HXUWFJFHSA-N 440.548 2.066 30 10 IEEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1555817315 OCBTVPWNKFSPKC-LJQANCHMSA-N 442.589 2.426 30 10 IEEE Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)ccc2n1[C@@H](C)CO 1556604153 XWGMLWYZXOWBQH-AWEZNQCLSA-N 441.513 2.342 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC 1556832574 CMZFPLSXCNLYOP-QZMQVMSPSA-N 436.508 2.429 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCN(C)CC2)CC1 1557878822 ZJQXNJKCZVSTBF-IBGZPJMESA-N 446.617 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)C[C@H](O)c3ccccc3)C2)C1 1567253116 SQCGXDURDPIOCH-DTWAGZHCSA-N 443.544 2.374 30 10 IEEE C=CC1(CC(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)CN(C(=O)OC(C)(C)C)C1 1567488576 NPHQLEZTPMKGGI-UHFFFAOYSA-N 444.532 2.376 30 10 IEEE CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1584490159 SYWRFVFKUASELE-GBXAEXGJSA-N 449.548 2.342 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1 1585691831 CUUKLFNPJPNSKY-HTAPYJJXSA-N 447.557 2.118 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCC[C@H]2C)c1 1587690060 YFVRHNVXHGJKIY-MZNJEOGPSA-N 447.543 2.286 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1587758864 INPJPCQGYSZSHQ-LJQANCHMSA-N 438.532 2.333 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1587783327 PESBAYHYAHYKKE-IBGZPJMESA-N 428.581 2.193 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588029290 FSMLPXYUBQTXDH-LYHRCORUSA-N 442.585 2.252 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSc1ccc(C)cc1 1588083302 DRWBMQMXNYXETJ-QGZVFWFLSA-N 431.587 2.062 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1ccn(C)n1 1588581600 XRNMXEOJPQORHR-UHFFFAOYSA-N 430.516 2.397 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)N(C)CC 1588612988 PCSSQOFSWIUOCN-UHFFFAOYSA-N 434.338 2.272 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2snnc2C)CC1 1588871463 DUQNJQBMOUCHGK-UHFFFAOYSA-N 443.964 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ncnn2-c2ccccc2)CC1 1588891181 MNRJCUYVXPFXPX-GOSISDBHSA-N 446.559 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1588968367 KDGYLKDDXYLLEP-LEWJYISDSA-N 444.624 2.462 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1589513649 AWTJACOBLMVODO-LPHOPBHVSA-N 431.562 2.335 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1589545009 LEYGBOCKNBMVNN-TVFCKZIOSA-N 438.594 2.023 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)c1ccccc1 1593782501 PCGCDDMESAYGDK-GSEOLPGOSA-N 445.589 2.320 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1595239528 LZKGXHUWENXYFC-PBYQXAPXSA-N 427.574 2.375 30 10 IEEE CC(=O)NCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1596695799 HBODPDBLOFOLMI-RHSMWYFYSA-N 428.562 2.386 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN(C)C(C)C 1609506573 CPMIXAKSSLACPC-HXUWFJFHSA-N 439.564 2.034 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c1OC 1616488112 LSPYRUAGKGNUGO-NYHFZMIOSA-N 449.479 2.360 30 10 IEEE CCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617180426 VRRGIOUVPNHBOR-QGZVFWFLSA-N 426.521 2.175 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1618512282 BEJSVAXHOXGYPG-INIZCTEOSA-N 435.488 2.101 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1618895067 GFGUQOBPMWEHRD-UHFFFAOYSA-N 432.488 2.046 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 1629478269 FEKWDYBVSZJHGY-INIZCTEOSA-N 439.553 2.483 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(N3CCOC3=O)CC2)C1 1630335022 BUELJUPPRDCWIU-UHFFFAOYSA-N 433.306 2.200 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1635415668 NDSWTJVOHGOYKY-GOSISDBHSA-N 427.530 2.357 30 10 IEEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](CC#N)c1ccccc1 1639348350 ZSJRFPCPAIYAQG-QGZVFWFLSA-N 430.486 2.419 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]([C@H]3CCCO3)C3(CO)CCC3)CC2=O)cc1Cl 1640107779 FAGQLOHZUZNUMQ-XFQXTVEOSA-N 431.920 2.391 30 10 IEEE C#C[C@@H](NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)c1ccc(Br)cc1 1641517845 PJHFTPWSQIFPTB-KBXCAEBGSA-N 429.318 2.448 30 10 IEEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1642213631 XLPZUJZLAFEYSB-QAPCUYQASA-N 429.542 2.339 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c1 1653838271 GGODJLJYXJBLMO-LJQANCHMSA-N 442.560 2.425 30 10 IEEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)c(C)n1NC(=O)c1ccccc1 1656801454 HXYBMRWQKVLBGW-UHFFFAOYSA-N 445.479 2.210 30 10 IEEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 1658582369 LMMIVUMQSOBCQF-NJNXFGOHSA-N 445.589 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)c1 1659636920 MCGGQPDGMZWSHE-UHFFFAOYSA-N 425.388 2.086 30 10 IEEE NC(=O)c1cc(CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)on1 1680876585 LCNSRYZYPZBNOV-KNVOCYPGSA-N 436.259 2.086 30 10 IEEE COCCOC1(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCOCC1 1682520491 JOZKKPXHCZVTCY-UHFFFAOYSA-N 444.532 2.131 30 10 IEEE O=C(NCc1cccc(S(=O)(=O)C(F)(F)F)c1)NC[C@H](O)C(F)(F)C(F)(F)F 1685750920 UMXUHLDNPWQQSQ-VIFPVBQESA-N 444.300 2.338 30 10 IEEE C#C[C@H](NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 1686917951 AAAHENQHISPUBE-IBGZPJMESA-N 434.949 2.440 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1689973584 IIMRKSKVBXGSKD-LJQANCHMSA-N 431.500 2.199 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1cc(CO)nn1 1690074131 SMHARBYFAWNDBO-UHFFFAOYSA-N 432.488 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[C@@H]2OC)CC1 1690148910 ZQKPBFXWUJERIE-CTNGQTDRSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1690170330 FVWXESRPAFHWHU-KRWDZBQOSA-N 428.518 2.183 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690184772 OKIRHOGTCDLOEJ-SFHVURJKSA-N 448.614 2.409 30 10 IEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690340916 AUYADRFVFAFCQK-CQSZACIVSA-N 435.916 2.218 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C3CC3)CC2)CC1 1690397183 XNKJPZLNDMSAKY-INIZCTEOSA-N 436.626 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(c2nc(C)no2)CC1 1690663363 UKVBBMPXBKJYMO-UHFFFAOYSA-N 437.504 2.331 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1690667780 HZCZTLXCARHQCZ-IBGZPJMESA-N 431.544 2.353 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690673954 KEQUFWQJMXWOAB-QGZVFWFLSA-N 430.578 2.189 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1705554823 MINXEAXCJRWUSD-JOCHJYFZSA-N 429.565 2.285 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1705707450 LIANTMLSLWXOMA-MMKMLUHNSA-N 447.580 2.088 30 10 IEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705724521 VQLKMOPKKJKGKH-UHFFFAOYSA-N 438.580 2.128 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705744537 GXCJGMFXYOKQAR-UHFFFAOYSA-N 445.955 2.306 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1705830270 LZXVEBDJIOIGBC-YLJYHZDGSA-N 441.532 2.475 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1705905180 MVFCCVJVQDTADV-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1706069972 FSAVMYLWCOJJBI-QGZVFWFLSA-N 433.516 2.338 30 10 IEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1706644605 GAUWSODGLJAVGG-UHFFFAOYSA-N 437.548 2.082 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H]1C(=C)C 1722380577 QMNBCNYZXFHEIL-AVRDEDQJSA-N 442.523 2.246 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OC(F)F)c1 1722391206 JHGWDACJAISBQG-JOCHJYFZSA-N 445.470 2.438 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1722462079 XNRLADWUBFIPGV-UHFFFAOYSA-N 429.521 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1722509894 PCTCNJHAUGMVEK-PXNSSMCTSA-N 434.537 2.224 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1722539866 BRHFSVNTTOGKQF-HXUWFJFHSA-N 436.560 2.419 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-n2cncn2)nc1 1722677598 CJZLCKKBLTVOGB-UHFFFAOYSA-N 441.499 2.480 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722736950 NSPAZUQCKPKKCF-KRWDZBQOSA-N 428.562 2.486 30 10 IEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1722775484 KVJLDBIEGAJLTE-DYESRHJHSA-N 439.564 2.293 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1722866637 CAKUDCZMUHDZKU-RDJZCZTQSA-N 431.562 2.052 30 10 IEEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)s1 1722892255 HYUYIUZCNHVZON-HNNXBMFYSA-N 436.545 2.326 30 10 IEEE Cc1cccc(N(C)c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1724233109 GQQWESYAGQTKIU-VZCXRCSSSA-N 432.488 2.281 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCCO1 1727652917 JKQYFMCSFSTIJB-VQTJNVASSA-N 438.532 2.117 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1727658167 CBKMAMBVMNYJLT-QUZZAMIASA-N 440.548 2.241 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(C)CCOC 1740608950 VFKMKZYJEJSKIV-IBGZPJMESA-N 448.612 2.430 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1740838706 WHMWMGKSOAUPGV-PKOBYXMFSA-N 440.523 2.115 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCS(=O)(=O)C1 1740941934 XAJPDFMHEADZCJ-OAHLLOKOSA-N 440.516 2.221 30 10 IEEE CC(C)CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1741532659 DQWMSRLJWFDVNH-LPHOPBHVSA-N 426.587 2.081 30 10 IEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 1742834503 IBUAHKVNXNZHNM-UHFFFAOYSA-N 444.543 2.124 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1743893340 NTNNCCHQAAKKHH-OYHNWAKOSA-N 441.536 2.441 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1745008645 BNZHCDYRUOROEM-LZICOFPGSA-N 441.561 2.142 30 10 IEEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1745228949 FWSGTYWCLDLWSB-INIZCTEOSA-N 431.562 2.381 30 10 IEEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1748067974 QHDMRALGOYMXKK-JTQLQIEISA-N 440.817 2.456 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1748202541 YNLCSTZUMIEDGX-GOSISDBHSA-N 438.532 2.118 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(O)CC1 1749142114 QCKDOEHOFPLTFL-UHFFFAOYSA-N 427.553 2.175 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1749506305 KQIXNMLFASWDOY-UHFFFAOYSA-N 438.580 2.106 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCSC2)C1 1749732519 XWFAELGXSVHXFG-VQIMIIECSA-N 426.608 2.106 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCOCC(=C)C)c1 1760125124 FRYBIMLSMKTGCG-UHFFFAOYSA-N 431.500 2.384 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1760180121 XNEMAFGZSBBOCQ-ROUUACIJSA-N 432.569 2.140 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1760203895 UGXWEFPLZMXLLF-SFHVURJKSA-N 440.504 2.004 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)C(C)(C)C 1760221488 YLDIIXKALRXBNS-UHFFFAOYSA-N 431.544 2.142 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCCOC)CC1 1760333893 HVGLUKMNPUJOOV-QFUCXCTJSA-N 447.580 2.232 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1760338252 ZVOMUWCMIKGJKS-QGZVFWFLSA-N 437.610 2.374 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)C1 1760546562 QRAZZHRSMLGNBD-UNMCSNQZSA-N 439.608 2.071 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cccc(O)c1 1760547928 URDAZSZRPWNBSU-MRXNPFEDSA-N 447.561 2.018 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1760580224 ATOFLCPGBZHJGZ-LJQANCHMSA-N 449.559 2.167 30 10 IEEE Cc1ccccc1OCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1762138100 YKFFDIHRMCPHKN-SFHVURJKSA-N 447.499 2.432 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1765473544 YNWAWKGCFCWSKN-OSPHWJPCSA-N 449.559 2.228 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1768540657 UHKNILDBMJKYHL-DPPKGPFUSA-N 449.540 2.285 30 10 IEEE COc1cccc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1768831410 OGIJEVPHWRIZIG-QURGRASLSA-N 436.516 2.402 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1769123089 XCALAOXDPOAPFN-AEFFLSMTSA-N 438.532 2.178 30 10 IEEE C[S@](=O)Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1 1770365455 CRFWNUDORWHBIH-HKBQPEDESA-N 440.573 2.067 30 10 IEEE C=CCN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2cc(C)ccc2C)CC1 1850865329 WCJHQQRXOVJQAN-SFHVURJKSA-N 425.620 2.034 30 10 IEEE CC(C)(C)[C@H](C(=O)N(Cc1ccc(C#N)cc1)c1cnccn1)N1CCS(=O)(=O)CC1 1851723780 SOHIUGOEVOXLAT-FQEVSTJZSA-N 441.557 2.027 30 10 IEEE CN(C)C(=O)COc1ccccc1C(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851781605 DUHNAWCCXUYQON-UHFFFAOYSA-N 435.424 2.028 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)c1C#N 1851948588 QKUSSSYRGGONJR-UHFFFAOYSA-N 435.362 2.065 30 10 IEEE N#Cc1ccnc(N2CCN(CCNC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1 1852125127 HNPQITCKOLITQQ-UHFFFAOYSA-N 435.410 2.191 30 10 IEEE COC(=O)[C@]1(NC(=O)COc2c(C#N)cccc2OC)CCCN(Cc2ccccc2)C1 1853232140 ODHHRYMPOGDNGW-DEOSSOPVSA-N 437.496 2.270 30 10 IEEE CC1(C)C(=O)N(C(=O)[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854516148 JXVLPWSXLOXGBR-CQSZACIVSA-N 425.457 2.132 30 10 IEEE CCC[C@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1855608277 CIMIELVHTXGVAC-HKUYNNGSSA-N 435.521 2.472 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(CC)nn2CC 1864327236 QPTWHAYQJYXTAN-KSSFIOAISA-N 426.517 2.222 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCOC1 1964925954 VRNSDSOILZPCCA-ACRUOGEOSA-N 442.560 2.400 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1984914263 ZCUJYLSGLGHXOO-PMPSAXMXSA-N 427.542 2.332 30 10 IEEE CN1CCN(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C#N 2060790669 SNUHTHVDHCNOMJ-HYBUGGRVSA-N 442.560 2.497 30 10 IEEE C[C@@H](c1cscc1C#CCN)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186591441 NHRUXUAQYFDLGU-HNNXBMFYSA-N 445.566 2.067 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224073996 OYXRWNLPORJWDC-DLBZAZTESA-N 431.342 2.205 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2243398186 OAVUQNZEXGBRSZ-UHFFFAOYSA-N 437.305 2.132 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)C1 2247549716 NFWTVAKYMQERKK-PNBPBRNGSA-N 431.455 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247773426 JRXXPNJAJODSBS-ZDUSSCGKSA-N 435.355 2.348 30 10 IEEE C[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248403289 FPHSUUQHDKLXFE-DOMZBBRYSA-N 440.371 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255595801 KLRYPTJZXICLPQ-CQSZACIVSA-N 434.346 2.228 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2255625658 VCGLAFRQRIYKGN-ZSEKCTLFSA-N 449.382 2.490 30 10 IEEE COc1cc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255656956 ILMAIIIXFCYYFM-JKSUJKDBSA-N 432.326 2.390 30 10 IEEE Cc1nn(C)c(C(=O)NCCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255822217 KUBSSPVXYIIAQY-UHFFFAOYSA-N 436.362 2.062 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)n1 2255823906 ZPACYNHEXVRFFO-UHFFFAOYSA-N 431.342 2.286 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255831573 XZBPOSAHYCDJRN-CQSZACIVSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267146421 NQROLYBDEWGPPD-HNNXBMFYSA-N 448.373 2.476 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC2CN(C(=O)OC(C)(C)C)C2)n1 2267527778 MBWBWDNKMRESOK-UHFFFAOYSA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267588503 MPGVCZKPFUZSIH-ZMSDIMECSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267884776 SQFYLLRZTPHVIE-KBPBESRZSA-N 446.357 2.197 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCCO1 2268609212 YCGBWOJMQOTPDI-JOCHJYFZSA-N 447.341 2.393 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268663373 KIWAZEDPCJSSFR-UHFFFAOYSA-N 446.353 2.416 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 2297428271 LAVWNRHYRHFZSC-UHFFFAOYSA-N 431.539 2.006 30 10 IEEE COc1ccc(C=CC(=O)N[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C(C)C)cc1 2297492701 CIBCZTRDGKBJCF-JTHBVZDNSA-N 427.501 2.201 30 10 IEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337190471 OJAKFMGCVKXCGF-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)n1C 2337277822 YSMHOPWRTRXLNA-IBGZPJMESA-N 438.381 2.422 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367791634 YJYXZLYZTAMZMS-ZVDOUQERSA-N 434.558 2.101 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)C(=O)O 159583006 LCBUSHXFRMGPPI-JTQLQIEISA-N 425.098 2.275 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 460546361 CJKANCSZISEUER-UHFFFAOYSA-N 430.940 2.496 30 10 IEEE CCOc1cc(C)ccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 464748126 CYEGLJZOOMZOKN-UHFFFAOYSA-N 442.541 2.482 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480454887 RBIKJRMQSICWQQ-KRWDZBQOSA-N 441.557 2.006 30 10 IEEE CCCNC(=O)CN1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 508196865 WATUAPGRWNSPJH-UHFFFAOYSA-N 427.549 2.102 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 512234967 PJOZAHAEMANXEV-HXUWFJFHSA-N 433.512 2.070 30 10 IEEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnn2)cc1 535171451 DLTMJUJRQJYDFX-YWZLYKJASA-N 443.467 2.221 30 10 IEEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541101773 SGHPHNABJDSQKJ-OAHLLOKOSA-N 443.939 2.462 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(C)C 543657269 JBDPXALAZKUJOP-UHFFFAOYSA-N 442.541 2.202 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)cc1 544333593 KPHIAYQIHMFNDT-JOCHJYFZSA-N 432.528 2.366 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 548963138 ATJRJRUFHZWLAV-MRXNPFEDSA-N 448.458 2.684 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N[C@@H](C)c3ccccc3)cc21 586314111 OVYREYJJDTYSBT-AZYRPFHASA-N 440.521 2.407 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)OCc3ccccc3)cc21 586315016 SQPBMKLDLFEWEL-SSEXGKCCSA-N 427.478 2.273 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Nc3ccc(-n4cnnn4)c(OC)c3)cc21 586319181 YITSLKBZOIFSBX-AWEZNQCLSA-N 434.456 2.266 30 10 IEEE COc1ccc(CC(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)c(OC)c1 586394943 ZOXNFNOOAVJFOW-UHFFFAOYSA-N 437.496 2.119 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC(=O)N1Cc1ccccc1 619602177 FTZZPILBZDKBCB-APWZRJJASA-N 448.527 2.445 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccnn2C)c1=O 642092619 QXSMPMGZAONNOT-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE C#CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@@H]1CCS(=O)(=O)C1 729331806 HFPSNJYBHMYALU-MRXNPFEDSA-N 444.513 2.397 30 10 IEEE C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730305201 WZPNELMPPXOPLS-BBRMVZONSA-N 438.933 2.080 30 10 IEEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730717991 DRQPCBMGKNQTAB-SFHVURJKSA-N 429.546 2.437 30 10 IEEE N#C[C@@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)C1CC1 731203132 KNPPYGZWSQXPSV-SJORKVTESA-N 425.514 2.141 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1-c1cccc2ncccc12 731410084 IWSHTQFICYBRIZ-UHFFFAOYSA-N 432.465 2.255 30 10 IEEE Cc1nc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1c(Cl)cccc1Cl 732155758 FBFYENWIVBLWTG-VKAVYKQESA-N 435.271 2.139 30 10 IEEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732649768 RGSIMPUJOIHZSK-IBGZPJMESA-N 444.557 2.124 30 10 IEEE COC(=O)[C@H](OC(=O)CN(C)C(=O)c1ccc(Br)o1)c1ccc(C#N)cc1 740225719 LLXZXHFDOZQHTE-MRXNPFEDSA-N 435.230 2.443 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1 744390016 PIOUJLGJUSUQEE-UHFFFAOYSA-N 440.504 2.119 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@@H](Cc1ccccc1)C(N)=O 754766365 YUPMMZWJVJWIAY-ZDUSSCGKSA-N 425.388 2.410 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1C#N 756079576 XCFHAQSGDGOIEL-UHFFFAOYSA-N 425.464 2.172 30 10 IEEE Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(S(=O)(=O)NCCC(=O)O)cc3)ccc21 756629958 BGLOPFAARZOOLK-OQFOIZHKSA-N 446.506 2.249 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)O[C@H](C)C(=O)N(C)CCC#N 756744036 AMXOKDLZSUISHX-QWHCGFSZSA-N 445.335 2.163 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCCC1 756910944 HYHOKEUPUYOUJX-UHFFFAOYSA-N 441.956 2.190 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cc(C)ccc2F)C1 760322333 WYAACOYWBVYCIY-XJKSGUPXSA-N 435.525 2.006 30 10 IEEE Cc1ccccc1Cc1nc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 767627198 LYXJEAAMTSJMLR-OAHLLOKOSA-N 440.481 2.251 30 10 IEEE Cc1cccc(-c2noc(COC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)n2)c1 767627512 NTGCDTFCQODLDH-AWEZNQCLSA-N 426.454 2.327 30 10 IEEE COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 769874922 YTLKADJBGLFDEM-UHFFFAOYSA-N 447.626 2.190 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 781398475 WMIPRDTWFJYHFY-FQEVSTJZSA-N 444.553 2.481 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC[C@H]2CCOC2)C1=O 784117477 GDDKUIPFLDSSAG-YJBOKZPZSA-N 436.553 2.252 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC[C@H](OC)C(F)(F)F)cn1 786686863 CKYDSRSLWDWPLR-KBPBESRZSA-N 447.483 2.471 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)n1 788680808 BOJMCSBHQNIUDF-UHFFFAOYSA-N 436.520 2.470 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3cncn3)cc2)cc1Br 790838525 HCAMNYTUZOBCBA-UHFFFAOYSA-N 432.259 2.020 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1 792161524 SXCMUVOTLCPMNH-MXLIYFDZSA-N 446.479 2.077 30 10 IEEE CCN1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 801670258 CXPUNOHUQPVHCT-SPJFCROGSA-N 435.550 2.022 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccc(C#N)c(OC)c2)cn1 809944697 ZSSZOSJYVNHIGQ-KRWDZBQOSA-N 426.502 2.051 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856682070 ZPHVXXURBKYHCS-UHFFFAOYSA-N 439.516 2.156 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2C1=O 916962543 DBLFQZFPOBXAKK-QGZVFWFLSA-N 431.404 2.201 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)cc1 1084337931 QSCUIKQCDDFCIU-UHFFFAOYSA-N 426.506 2.353 30 10 IEEE COc1ccc(NC(=O)CCSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084373704 JPJGPNVFKDANHO-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE Cc1cc(C#N)cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 1129684480 DGMFATKIUFDWSS-UHFFFAOYSA-N 428.514 2.206 30 10 IEEE N#CCCN(C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)c1ccc2c(c1)OCCO2 1136612518 KGSQYABKJVHUQT-AWEZNQCLSA-N 447.538 2.306 30 10 IEEE CNC(=O)c1cc(O[C@@H]2CCCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)ccn1 1195686028 CRTWMHZBNOAEJM-SJLPKXTDSA-N 425.514 2.023 30 10 IEEE CN1C(=O)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)Cc2ccccc21 1196208732 SMSQVVFDMQCCQX-QFIPXVFZSA-N 435.503 2.013 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)CC1 1217820018 JAYAJJPNXXTSDF-UHFFFAOYSA-N 436.484 2.384 30 10 IEEE COc1cc([C@@H](C)NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1S(C)(=O)=O 1251613658 IBDJNXJJSPPTGX-RHSMWYFYSA-N 444.513 2.289 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC(F)F 1286279949 YRIDVWHYYIKYDF-KBPBESRZSA-N 441.504 2.190 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2cnn(CC)c2)c1 1286312200 SBPTYWKKRQJNSL-HXUWFJFHSA-N 433.516 2.451 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1286392047 HOSQBSLAHRNGAQ-DLBZAZTESA-N 449.964 2.243 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1286395289 MOQBCSNSLGXPLD-GOSISDBHSA-N 446.573 2.217 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1286499262 GNXLPVCTZHTPSJ-UHFFFAOYSA-N 428.562 2.172 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1286564275 UOKWWVNNHPCAAK-QGZVFWFLSA-N 440.539 2.273 30 10 IEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H](C)O1 1293636784 DQYDCCFVZSWJJQ-LPHOPBHVSA-N 426.521 2.259 30 10 IEEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1294217409 GYZMEPVRKRGQSY-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cccc(CNc3ncccc3C#N)c2)C1=O 1294363406 AYJPSZZDCLQUAJ-FDDCHVKYSA-N 432.484 2.016 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H]1COCCO1 1298798888 RDHOXBKXKCKRAM-HNNXBMFYSA-N 435.326 2.201 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300313992 AYELYVALMPGEPV-MRXNPFEDSA-N 426.521 2.016 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1300459866 XKOPYUUOVVRYBS-NHCUHLMSSA-N 441.601 2.160 30 10 IEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CN(CC(C)C)CCO1 1300464426 DUOZFURTMNGAQZ-GHTZIAJQSA-N 425.533 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1300664143 NMCCIZLYYLANKM-UHFFFAOYSA-N 448.506 2.446 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(O)(CCC)CCC)CC1 1300719659 LANCUESKWXFYMD-UHFFFAOYSA-N 439.564 2.032 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC2(OC)CCC2)CC1 1300722550 KQJYSHLQMJICTM-LJQANCHMSA-N 429.565 2.445 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300760442 BKSMLJDLAMVWHO-PMACEKPBSA-N 433.622 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1300779641 CGGUAPKBGBRJKD-VGOFRKELSA-N 444.605 2.303 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300884605 KYLBJTFNKQHZGY-CGXNFDGLSA-N 431.581 2.458 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301490651 XJPGCINBXZWGBO-INIZCTEOSA-N 430.940 2.205 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCOC(C)(C)C1 1301518135 GIHITYSIWFNNLS-UHFFFAOYSA-N 429.521 2.173 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1301612900 QYENNMUNHJXKFC-RDJZCZTQSA-N 438.575 2.270 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1303396364 BFGGDWFDNOLVEV-UHFFFAOYSA-N 439.442 2.004 30 10 IEEE C=CCC[C@H](NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1312334709 RVLKPQUARPIDRW-KRWDZBQOSA-N 439.520 2.170 30 10 IEEE CNC(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1315051344 AKAXQWKVQIBWIO-UHFFFAOYSA-N 439.539 2.484 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nc(C)c(C)s1 1316205512 GOFYFKQCTYJDSA-CRAIPNDOSA-N 445.593 2.300 30 10 IEEE CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 1351834057 HQZXQDUEBSTYLE-DOTOQJQBSA-N 437.949 2.380 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1CC 1358941481 LSXYYLRNJOMYTA-IBGZPJMESA-N 444.605 2.139 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1358945942 AXGQDYWTICGJSD-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1([S@](C)=O)CCC1 1358971098 IIQVNEKALMRSNI-MHZLTWQESA-N 448.390 2.420 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nccs2)CC1 1359030711 CKFOWIXDLNAMFX-UHFFFAOYSA-N 446.378 2.490 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)COC)CC1 1359053664 USAUWTMRQSHQIF-UHFFFAOYSA-N 427.574 2.351 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359215712 HYUZHSQQQDRIIH-LEWJYISDSA-N 438.576 2.487 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359217539 CLMPKHDXDYVREJ-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359224047 DRQVZQGKRQZAQY-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)s1 1449747902 AMPNVZKBDMOJSQ-UHFFFAOYSA-N 433.555 2.045 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)C1 1471832815 KBFWANWDABKHRZ-LJQANCHMSA-N 441.553 2.348 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1494105220 BGCGHRFRVPQGPA-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCSCC2)cc1 1507515458 UZIJNGAGIKSZKO-KRWDZBQOSA-N 426.590 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCN2CCCC2)cc1 1507515856 XADFNVFQICCOFE-IBGZPJMESA-N 438.576 2.397 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507626694 BILYEXZRBGYXOA-LJQANCHMSA-N 438.557 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1507658909 IJBSBYQWPGBVSE-GOSISDBHSA-N 447.539 2.357 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(F)c2)CC1 1507718558 FFSXEBAXTCIBBU-DEOSSOPVSA-N 441.551 2.456 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1507958945 DRPBDCKASITRPC-INIZCTEOSA-N 429.521 2.222 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCN1CCCS1(=O)=O 1508023993 GSMGABXEEWYCMM-HXUWFJFHSA-N 445.589 2.053 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1508086983 ADYXMHLQLPBXMX-GCJKJVERSA-N 429.496 2.059 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(N(C)C)CCOCC2)C1 1508130835 XCUMNECIMJFARY-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1508700091 QBSIGAIDLZOWOM-SSEXGKCCSA-N 432.550 2.293 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1517399997 YMTVZWMBKHDMII-ZDUSSCGKSA-N 432.410 2.064 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(F)c1F 1519449779 LQNKDJIPXQMHQH-FCEWJHQRSA-N 433.459 2.252 30 10 IEEE Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1527985740 SWBIYDSJKFNJSU-ZIAGYGMSSA-N 429.395 2.453 30 10 IEEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)CC1 1530079551 ILTACOLBVCGOID-UHFFFAOYSA-N 433.574 2.039 30 10 IEEE COC(=O)[C@H]1CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2ccc(F)cc2O1 1530902327 XIZIRBLDFNUHFX-LJQANCHMSA-N 437.431 2.257 30 10 IEEE Cc1cc(C#N)cc(C)c1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1534591058 WWSMHJXVWZEIQN-QGZVFWFLSA-N 435.546 2.329 30 10 IEEE N#C[C@@]12CN(C(=O)CCc3cc(Cl)ccc3Br)C[C@H]1CS(=O)(=O)C2 1538308615 MKFOHKSLVOMJLP-LRDDRELGSA-N 431.739 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cnnn1C 1539028957 FESOLSBFNHPPCM-ZDUSSCGKSA-N 430.310 2.254 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1539140020 QIHYYIUWWDMAOA-FQEVSTJZSA-N 439.560 2.438 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OCC)c1 1539180080 WISRCWVHYLARSJ-SFHVURJKSA-N 446.573 2.290 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCO2)CC1 1539434621 QFKDSFOZHLPZPE-IBGZPJMESA-N 425.533 2.287 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCCCC2)CC1 1539467190 OJYBOFWDCYTVCB-UHFFFAOYSA-N 449.559 2.472 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1539626225 BVOHMBPSUXSTGL-ICSRJNTNSA-N 427.553 2.012 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539782877 FPXFOGGKEQPOGZ-QGZVFWFLSA-N 439.907 2.336 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1539813152 VXMMKUZMIAQMRU-UHFFFAOYSA-N 437.939 2.486 30 10 IEEE CC(C)(C)OC(=O)[C@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCCO1 1540797128 MNPPSYONKPCYFB-HSZRJFAPSA-N 439.516 2.266 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1540867899 LKQNHKRLKSUGRX-HKUYNNGSSA-N 439.564 2.164 30 10 IEEE CC(C)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541389540 KDMPCGRRBRGEPH-DPPKGPFUSA-N 428.537 2.181 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2ccccc2F)n1 1543005930 CLFPLPCHYWLZSP-MRXNPFEDSA-N 438.511 2.447 30 10 IEEE CN(C)CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C(c1ccccc1)c1ccccc1 1546343763 GATAIZSLADKPRW-UHFFFAOYSA-N 445.523 2.390 30 10 IEEE CN1CC[C@@](O)(Cn2c(COc3ccc(F)cc3)nnc2N(CCC#N)CC2CC2)C1 1554357858 IBJCGLRZSVZDDV-QFIPXVFZSA-N 428.512 2.193 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1554433279 FVMLQMVVHZPSMA-UHFFFAOYSA-N 449.559 2.038 30 10 IEEE CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1554484212 KGIFKBANMNHSAU-IBGZPJMESA-N 432.532 2.145 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)c1 1555011363 FJDWXJQIEWVFOW-IBGZPJMESA-N 438.532 2.331 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1555794293 ARPILBDTPJOCNU-MSOLQXFVSA-N 433.534 2.436 30 10 IEEE CS[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1555851742 DSWVTORXBVSHOG-PMUMKWKESA-N 429.587 2.400 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C)C(=O)OC 1556971373 WTHFQZCNIPGSSP-HXUWFJFHSA-N 444.509 2.489 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 1565346422 PEIVZNVCBPFCOV-JYJNAYRXSA-N 432.487 2.429 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCC(=O)NC(C)C)CC1 1588791081 MBDJABNGQIGGHA-UHFFFAOYSA-N 431.544 2.163 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2F)CC1 1589088837 KJWPCUYUTLJRDG-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1593735459 HMEIZMOULXZUJJ-FQEVSTJZSA-N 447.540 2.273 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCN(CC)CC2)CC1 1594228894 CKUGKOUOYSHFTG-HXUWFJFHSA-N 429.613 2.049 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(CO)c2)C1 1595755328 WGUDLRRIBRBYDW-HBMCJLEFSA-N 428.533 2.324 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595866267 FBKTYKYIOSKSBX-UHFFFAOYSA-N 436.607 2.120 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCOCC2)cc1 1608352597 OUXPVKUIIHQBAW-UHFFFAOYSA-N 437.548 2.041 30 10 IEEE COCCCNC(=O)[C@@H](C)N1CCN(c2ccc(C#N)c(Br)c2F)CC1 1611948474 ZEZSDJMTBQUOEP-CYBMUJFWSA-N 427.318 2.123 30 10 IEEE COc1ccc(-c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)cc1OC 1619215320 SYGKFEKTUNXNSK-UHFFFAOYSA-N 427.486 2.044 30 10 IEEE COCCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1619836948 QLKLYMYXJQDLGF-LJQANCHMSA-N 432.956 2.219 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)Nc2cccc(C)c2C)s1 1623936652 LBYCSPLTVCDYBG-UHFFFAOYSA-N 435.571 2.469 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(N3CCOCC3)CC2)cc1 1626285113 CFDVPMXFSHXOAO-NMWGTECJSA-N 434.562 2.083 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 1627454907 NDFAFBTZHXKFEZ-QGZVFWFLSA-N 438.347 2.250 30 10 IEEE CC(C)C(=O)N1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1627943631 MTFQFZBEQCNRDB-UHFFFAOYSA-N 433.350 2.474 30 10 IEEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1638074141 AYBRHOSQMMADIM-QFIPXVFZSA-N 443.613 2.180 30 10 IEEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1638851443 XGVIPPLYDZRGKA-UHFFFAOYSA-N 432.571 2.375 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1639270535 ZCGSQAYINBGVIE-QGZVFWFLSA-N 426.473 2.346 30 10 IEEE N#CC[C@]1(O)CCN(C(=O)Cc2ccc(I)c(Br)c2)C1 1643612580 LIQKUJNBUAROBO-AWEZNQCLSA-N 449.086 2.473 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](c2nncn2C)C1 1643830243 GYMPOQSSSRCESP-CYBMUJFWSA-N 434.294 2.243 30 10 IEEE C[C@H](C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)N(C)CC(F)(F)F 1645441475 RRXGFDKLWXVBAS-VGMNWLOBSA-N 431.299 2.469 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(C)(C)[C@]3(O)CCCOC3)C2)C1 1646347552 XSKJBQOIASMBJD-KZZOLAOHSA-N 435.565 2.457 30 10 IEEE CN(C)C(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)(C)C1 1654776109 FFAPSXDRLKSUOH-UHFFFAOYSA-N 447.330 2.226 30 10 IEEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)Cc2ccc(C(=O)NC)cc2)ccc1OC 1662119573 GLCGYWWIQGDQCT-GOSISDBHSA-N 431.514 2.355 30 10 IEEE C=CCC1(O)CCN(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1665489270 NNXIDTMSLCQQLC-LJQANCHMSA-N 433.549 2.190 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2Cc3cccnc3N3CCC[C@H]3C2)C1 1671494694 DBXXFXALWMDFMC-OKZBNKHCSA-N 426.521 2.335 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1674514077 FQUXPKWCRHTWHL-AWEZNQCLSA-N 434.547 2.342 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CCO2)C1 1675450502 NOXJMMBYACQREA-XXBNENTESA-N 426.517 2.447 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1683289471 WOACQWSVTVMUNL-LECRGTDLSA-N 434.558 2.372 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1689954460 ZTEWVSLJUXRTBC-ZZEZOPTASA-N 440.891 2.203 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690251249 REQHLHWDCYPPOU-PBVWOCPUSA-N 427.549 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690251251 REQHLHWDCYPPOU-RYTRXMBJSA-N 427.549 2.485 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccccc3[C@H]2C)nnc1[C@]1(OCC)CCOC1 1690676790 DNSNISWBUXAHFJ-HXOBKFHXSA-N 425.533 2.356 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NCc1ccccc1 1705478506 COQMKIKYDFWGJV-DVECYGJZSA-N 439.560 2.483 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1705495027 JTRNPRXAAQMALQ-LPHOPBHVSA-N 432.546 2.463 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1705559425 ANOZPFSOQFQMKI-FGTMMUONSA-N 444.557 2.258 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CCOC 1705593902 XTKCJLYNAOIAMD-UHFFFAOYSA-N 432.532 2.446 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1Cn1cccn1 1705626589 BUOPBQNDZYZYKL-UHFFFAOYSA-N 428.500 2.114 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCn2ccnc21 1705630287 MYTJMESTICRMTQ-QGZVFWFLSA-N 425.562 2.494 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(F)F)CC1 1705680421 ANPALLXCGOSQSA-ZDUSSCGKSA-N 438.317 2.298 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705729044 JDONLMKUDCRHPV-QZTJIDSGSA-N 426.521 2.381 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1705861931 UBPOOKBUSFMFPJ-KNQAVFIVSA-N 446.573 2.178 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1705884761 XOVPDSXELBNHAH-SFHVURJKSA-N 448.589 2.095 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@](C)(C(N)=O)C1 1705896113 BWPDRSGJKCDSQS-FPTDNZKUSA-N 442.589 2.135 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@H]1C 1722409535 CFKICFGOUOSGEW-IIBYNOLFSA-N 430.578 2.249 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722619090 YPWRBTCGIBBVSY-QZTJIDSGSA-N 437.610 2.279 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1722686340 XOZYYXRXZFENGF-KRWDZBQOSA-N 434.537 2.079 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccc(Cl)cc1 1722702053 JFIMVDXZAZITSX-UHFFFAOYSA-N 430.940 2.035 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1722729764 WRZFGZBCBBPCSP-UHFFFAOYSA-N 447.580 2.283 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(C)=O)nc1 1727187641 DTHMLUQBSUUEFO-UHFFFAOYSA-N 438.536 2.338 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2conc2COC)CCOC1 1728789355 FBHLJYGAZKJHRF-NRFANRHFSA-N 430.509 2.243 30 10 IEEE CCOCCOCc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1729175689 HQFMDMUZROQPPB-RTWAWAEBSA-N 441.532 2.112 30 10 IEEE CN(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1cccc(F)c1 1729318345 GOJUCZXJAQSEJV-RTWAWAEBSA-N 435.507 2.435 30 10 IEEE CO[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1729859233 PXMFSTMOJOVUSZ-MSOLQXFVSA-N 449.481 2.408 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1740589806 BQTOQALPKZNCFD-QZTJIDSGSA-N 433.553 2.473 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1740622209 WBOFACYWJMKSQI-SFHVURJKSA-N 445.589 2.117 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1740628623 ZDXBGRHYCFAIFF-PXNSSMCTSA-N 436.965 2.028 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1740655429 BNDNKXWJKJVRQL-OAQYLSRUSA-N 436.512 2.185 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1740697193 VEZKOFRVGWWRFK-UHFFFAOYSA-N 436.604 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OC)nc2OC)CC1 1740701851 DQSKAAFUKUOSGB-MRXNPFEDSA-N 440.548 2.218 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740721231 BYYLPYOWBUZKMB-SFHVURJKSA-N 440.573 2.088 30 10 IEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740999136 YANYEXDGYCXAIT-QAPCUYQASA-N 426.550 2.047 30 10 IEEE CCCN1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1745681283 FYGFOWAQJIYKDX-QFBILLFUSA-N 425.493 2.314 30 10 IEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)ccc1OC(C)C 1748520569 DUPFQBFCAMHKIR-OAQYLSRUSA-N 440.483 2.475 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1748640425 VAOQTQZAPSYPHC-OLZOCXBDSA-N 425.942 2.057 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748806148 ZTCDOWAWNCJJOM-FUHWJXTLSA-N 438.594 2.065 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748810604 YEAWBGCGHLEQTO-YLJYHZDGSA-N 444.557 2.005 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1748816391 ZNPPAEKCQBOZSP-OXQOHEQNSA-N 428.558 2.274 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1749003387 HWCXFQRUWDAHNK-QFIPXVFZSA-N 445.571 2.123 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2cccs2)CC1 1749009637 UPMDZEMNGYVODN-JOCHJYFZSA-N 438.557 2.208 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)CC1 1749286736 QFLQOXUXNKEJQX-ZDUSSCGKSA-N 433.563 2.098 30 10 IEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1749617295 GSKALKCUYOKVNF-HTAPYJJXSA-N 429.521 2.131 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749671040 YCVYTTPBWQULOX-IOJLRTSASA-N 430.597 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](OC)C(C)(C)C1 1749736631 MSCMFMMPUKCOAR-GOSISDBHSA-N 436.553 2.470 30 10 IEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1749858376 GZEPPONAACHWQS-NTKDMRAZSA-N 447.543 2.442 30 10 IEEE CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1750595160 ZWAHFIYCOREUPE-BZSNNMDCSA-N 448.568 2.450 30 10 IEEE CC(C)[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1750682888 JVBTYFKSKFNRTG-NHKNDPDJSA-N 430.578 2.335 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750980817 UURSSSRURCWLEK-KRWDZBQOSA-N 442.955 2.085 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(F)(F)F)CCOC1 1751024674 OVTMMGLGQGVXEC-YJBOKZPZSA-N 428.459 2.058 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760143625 MFENNPFPZLFWFP-PMACEKPBSA-N 444.580 2.143 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCC2)CC1 1760147106 HIKIOXLGEUDLPH-UHFFFAOYSA-N 427.574 2.437 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1760180109 XBCICFWTRUMRLQ-GAJHUEQPSA-N 442.564 2.430 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760185007 NPTIEUXFVUWMHW-MRXNPFEDSA-N 431.587 2.253 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760185847 FLYYKGDEBIDYKX-ZWKOTPCHSA-N 433.578 2.143 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nccs2)C1 1760360144 SFGSHWHLWPVYEN-INIZCTEOSA-N 432.550 2.028 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760376844 GGIBYWBIGTWHBC-QGZVFWFLSA-N 436.969 2.021 30 10 IEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760453485 XXYITKOGINGYPJ-INIZCTEOSA-N 431.468 2.230 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCN(C)C1 1760478583 MINCDRLWSIQJAJ-NFBKMPQASA-N 427.549 2.397 30 10 IEEE C=CCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513159 NCEYGDBKSGYVTM-FQEVSTJZSA-N 447.565 2.211 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(C)C)CC1 1760526389 MSPRLTOJVGJIAS-UHFFFAOYSA-N 430.578 2.444 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](COC)C1 1760553575 VYOFCFQESZIAOQ-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE CC(C)C(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1760847122 PCZZRGRYIDVZTE-GCJKJVERSA-N 442.495 2.395 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(OC)C2)CC1 1765559239 CJUWIOQEMGAAAA-UHFFFAOYSA-N 437.592 2.460 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCC[C@H]1CO 1768709767 NWAPHOFEQCKQGT-QFIPXVFZSA-N 446.559 2.480 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC[C@@H]1COCCO1 1769820434 YSRJWUZRQPPYJJ-HXUWFJFHSA-N 449.515 2.065 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1770734979 ACQLHEQCROEUPF-WBVHZDCISA-N 447.465 2.013 30 10 IEEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC#N)CC1 1771238911 RXSOMSRUMUOMLJ-UHFFFAOYSA-N 436.520 2.277 30 10 IEEE CN(C(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1snc(N2CCOCC2)c1C#N 1852376078 ZCOKYYMUGOPIAB-HNNXBMFYSA-N 443.504 2.002 30 10 IEEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H](C)Cc1nc(-c2ccccc2)no1 1853539743 KKWMFQPEPGMQHV-WMZOPIPTSA-N 434.500 2.469 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1C(=O)O 1862608819 WVEGKUXYGKSXQO-BUXKBTBVSA-N 439.420 2.115 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862629133 OREHTTXEKUSUMP-SFHVURJKSA-N 425.393 2.338 30 10 IEEE C/C(=C\C(=O)N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867074035 NBCHKBDJEIPKKS-STTHAQSSSA-N 440.525 2.355 30 10 IEEE COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ccc(C#N)cc3)C2=O)cc1OC 1873866823 GHIWAZARWSLSSU-GOSISDBHSA-N 436.468 2.457 30 10 IEEE CC(C)Oc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874336316 AXXWBTMJWKIOMH-GENGVREBSA-N 444.561 2.249 30 10 IEEE C=C(I)C[S@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1881442045 JEAGRHOYZWKLQJ-YTEVENLXSA-N 437.255 2.063 30 10 IEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900439941 DMLWKJXIPKWZGB-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C=C(Br)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960075232 VEVXJPNLBRKLLB-INIZCTEOSA-N 433.299 2.181 30 10 IEEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)ccc1F 2174785731 BYEJAHKDPSMUCB-MOPGFXCFSA-N 433.461 2.060 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C 2243383724 BVKIGIWDPOQCLN-LLVKDONJSA-N 425.360 2.394 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NCCNC(=O)OCc3ccccc3)c(F)c2)OC1(C)C 2243390008 NQBIGXIJVSGQSU-UHFFFAOYSA-N 443.284 2.176 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248404782 PACOKBJREZDESE-OAHLLOKOSA-N 435.355 2.330 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255643170 PYWSTICFQIINKU-ZIAGYGMSSA-N 449.382 2.381 30 10 IEEE Cc1c(Cl)cc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2255653924 PMQXZCHYKXMUTF-UHFFFAOYSA-N 446.662 2.451 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2255807981 CCVXVRIRJTWJTC-KRWDZBQOSA-N 438.362 2.292 30 10 IEEE Cc1c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255815730 RXTVZOSHWIVWBP-MRXNPFEDSA-N 426.370 2.278 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@H]2C1 2255848320 ZFTHWGFWFOAMIJ-HUUCEWRRSA-N 432.326 2.422 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256674298 JREVEXJMRNNGQJ-AEGPPILISA-N 449.382 2.314 30 10 IEEE Cc1cc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 2267128163 OJDOCVCLGQYPLA-LJQANCHMSA-N 439.365 2.091 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2267140697 SHWJBSJXZNFSTE-CMKODMSKSA-N 436.365 2.349 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267233733 LJJJVZDASDFTPW-VQFNDLOPSA-N 445.369 2.402 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267502515 OWRXMTWZFQRQAT-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267517672 WTLJPEIAULDKSI-GASCZTMLSA-N 448.373 2.285 30 10 IEEE Cn1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)cc1B1OC(C)(C)C(C)(C)O1 2267541948 KZTSWTKKEUCSFU-INIZCTEOSA-N 448.373 2.143 30 10 IEEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N2CCO[C@@]3(CCCN(C(=O)C(F)(F)F)C3)C2)OC1(C)C 2267563830 DFXSOOVGCFGGSL-LPMFXHHGSA-N 446.275 2.251 30 10 IEEE C[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268646105 SNDHOSKNMJNNJT-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE C[C@@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268725193 SNDHOSKNMJNNJT-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314426015 HNWMBFOBDCOHFJ-TXEJJXNPSA-N 432.571 2.493 30 10 IEEE CCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1N=Cc1cnc(N(C)C)nc1 2321742689 FPLKBSCMIGUAMV-UHFFFAOYSA-N 440.533 2.318 30 10 IEEE COc1[nH]c(=NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2339784662 DARNWBFBVKWNRS-PHZGNYQRSA-N 445.369 2.336 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)c(C)c1 20806446 GPMUNJKLVBRCJI-UFFVCSGVSA-N 427.490 2.191 30 10 IEEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)cc1 20917191 WLAWYOUZTZQIAK-ZVBGSRNCSA-N 425.474 2.206 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 46841390 IPCRBMREADRJAZ-IYBDPMFKSA-N 447.543 2.475 30 10 IEEE N#CCCN1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)C1 62040734 HCNYOIDCRGLIEP-AWEZNQCLSA-N 448.936 2.495 30 10 IEEE C=CCN(C(=O)c1cccc(S(N)(=O)=O)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 444375823 JLHPPRYJMDMPHF-IBGZPJMESA-N 430.526 2.445 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cn1 445125608 XURJHHXFHLCNKQ-OAQYLSRUSA-N 431.500 2.417 30 10 IEEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 460960479 PVOKBIDVWWDQNX-UHFFFAOYSA-N 428.562 2.485 30 10 IEEE CO[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(F)cc1 466806181 ZLJHUXQFHBLQAB-LJQANCHMSA-N 446.504 2.101 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2ccc(F)cc2F)cc1 470437120 GMGMWGAMCWHSPA-KRWDZBQOSA-N 430.436 2.106 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 480956277 ILGHNMSQWLPPKB-GJZGRUSLSA-N 439.497 2.292 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)N3CCO[C@@H](CN4C(=O)c5ccccc5C4=O)C3)CC2)c1 514946719 QCTNHWRDRZGGAV-GOSISDBHSA-N 433.439 2.253 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)CC1 522743465 UAOYCNUDGJNJHN-STWLZBDKSA-N 425.573 2.491 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 548042265 UHOUHGOGWIBARW-GOSISDBHSA-N 444.488 2.237 30 10 IEEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC3)CC1 580456030 KQTPEXKBNLKVES-GOSISDBHSA-N 448.571 2.064 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(F)c1 586838597 MFMDTMMAPYZSGG-FQEVSTJZSA-N 444.894 2.157 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)CC1 604198166 YWFYRKGKWHJPIQ-FQEVSTJZSA-N 427.593 2.279 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C 605694127 ZSDUSKSIXJMQRS-RRBSBIOFSA-N 432.488 2.483 30 10 IEEE in-vitro CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1-c1ccc(F)cc1 609219902 JUVYACHBPFSDOQ-UHFFFAOYSA-N 449.507 2.001 30 10 IEEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 611836450 HWORZXWXRWTHBE-RNODOKPDSA-N 441.879 2.239 30 10 IEEE C#CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)[C@@H]1CCS(=O)(=O)C1 729336005 ZHEAHMFQTLQSKZ-QGZVFWFLSA-N 426.523 2.258 30 10 IEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccc(C#N)cc2F)C1=O 729818131 HMDXOPAHFHXMEH-QXOGVRMXSA-N 425.489 2.271 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1ccc(C#N)cc1 740209149 CFGYWRQOGIMPBU-IBGZPJMESA-N 428.466 2.379 30 10 IEEE COc1cccc(C#CCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 749038869 ZKYFKOKLBSOCGG-UHFFFAOYSA-N 429.494 2.233 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 756888375 AMRDNZIAGRBCQM-IGCXYCKISA-N 434.443 2.193 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(C)c1C(F)F 759866132 OUKIFSXTXKZFNF-LBPRGKRZSA-N 425.461 2.450 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccc(S(=O)(=O)N2CCCC2)o1 780175811 DEOFYKAOQRVFRF-IBGZPJMESA-N 426.491 2.369 30 10 IEEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2ccc(N3CCCC3)nc2)n1 789965640 AXMLTUCCVODPET-KRWDZBQOSA-N 438.561 2.302 30 10 IEEE C=CC[C@]1(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CCCN1C(=O)OC(C)(C)C 790762040 WJDUICBEMXLQJX-BRHFBXIFSA-N 443.544 2.256 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 792746276 LJOLRWWPRPGCMR-CRAIPNDOSA-N 434.537 2.246 30 10 IEEE CCN1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1=O 801671495 QQKLQVMIJYORHG-SPJFCROGSA-N 435.550 2.022 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cn2c(O)nc3ccccc3c2=O)c1 915402058 FRXVPUNBQLPIAM-UHFFFAOYSA-N 434.452 2.209 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2COc3ccccc3O2)c1 916694044 QCQMOHIULLKCLM-UVPKWBSNSA-N 444.513 2.461 30 10 IEEE COCCOc1cc2c(cc1C=NN1C(=O)N[C@@](C)(c3ccc(OC)cc3)C1=O)OCO2 920752113 WVPOPJPUCFYEFM-QFIPXVFZSA-N 441.440 2.250 30 10 IEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)CC)n2)cc1 1083890376 XSHXZAALOVEOCJ-UHFFFAOYSA-N 425.540 2.032 30 10 IEEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1130149167 CQGVLXGTZDFBAU-JOCHJYFZSA-N 426.494 2.167 30 10 IEEE COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1133472255 YSRBELNVOPAYEV-MGPUTAFESA-N 441.509 2.259 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cs1)C(N)=O 1135836728 UWMGUGYDIJRKOK-HNNXBMFYSA-N 443.598 2.258 30 10 IEEE C#CCCN1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1142803547 LOBYDMNJRXZODI-UHFFFAOYSA-N 427.364 2.171 30 10 IEEE C=CCC1(O)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1154866980 OQWSPCGUTYGAMO-GFCCVEGCSA-N 449.392 2.061 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CCO2)cc1 1233774279 RHFXGPJJWZAFPA-FQEVSTJZSA-N 425.464 2.212 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286322171 DEMSOXIFLXQJOC-MSOLQXFVSA-N 444.557 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1286423398 TWFIIQTVMSQSDE-RUZDIDTESA-N 449.555 2.132 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(F)c1)N(C)C 1286461690 VPNLNUSUXQTUBQ-FQEVSTJZSA-N 442.539 2.042 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=C)Br)CC1 1286490891 WCAJVVVBSJLENE-MRXNPFEDSA-N 436.354 2.394 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286509796 CFOCMSKUWPGKJJ-UHFFFAOYSA-N 433.500 2.076 30 10 IEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)C)CC1 1286549062 RTTHWMALWJSATB-HOTGVXAUSA-N 428.375 2.441 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286646471 RRNWLTHRGPHBCP-HRAATJIYSA-N 434.537 2.383 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1286692751 HKVFEYIFNWTTEA-UHFFFAOYSA-N 433.520 2.317 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1293859702 KTHZQXBAUYANML-HOTGVXAUSA-N 446.502 2.428 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1297603134 HWYABVOZLNTVTN-UHFFFAOYSA-N 435.576 2.237 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C#N)c1 1297758683 WPUAAVFTSXQCSW-UHFFFAOYSA-N 439.545 2.178 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1298633467 ZTGGKBNIZSXEOY-UHFFFAOYSA-N 442.483 2.195 30 10 IEEE CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1299531794 FJFBNQSAUIAAJN-HNNXBMFYSA-N 445.955 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)OCC 1300513686 ZCACTTLWLZVSSO-UHFFFAOYSA-N 442.589 2.435 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1300602186 AAHXZQBPIAWJDH-REWPJTCUSA-N 433.597 2.135 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC1 1300682623 FJWIGADAHUCNCC-KRWDZBQOSA-N 428.562 2.404 30 10 IEEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1 1300722097 UQOFIKZKXIHCOH-KLAILNCOSA-N 438.598 2.224 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1300974117 DRVNJOKCOYSQEE-BBWFWOEESA-N 436.557 2.465 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300980648 KSXCPYDPQMKILJ-HNNXBMFYSA-N 425.942 2.210 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1301175985 MUSQQVCRIZRSOH-GOSISDBHSA-N 431.562 2.420 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N(C)CC(=O)N1CCOCC1 1301529075 IEDMZSOQHXENDD-UHFFFAOYSA-N 425.533 2.454 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1302989940 WLJUAWVQQUYWLH-AZUAARDMSA-N 438.532 2.104 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccs1)N(C)C 1305789209 CZZNZMUAWKWDTD-SJORKVTESA-N 445.593 2.290 30 10 IEEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 1309150854 FCHPDVQBCLZBPE-UHFFFAOYSA-N 443.525 2.183 30 10 IEEE C=C(C)CN1CCC(NC(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)CC1 1311890916 DYKOISLOANQZLB-UHFFFAOYSA-N 434.541 2.047 30 10 IEEE CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1(F)F 1312487737 YTKQUWOAKZOWDI-IRXDYDNUSA-N 434.443 2.284 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1313476650 HOGMZKURLCGROU-UHFFFAOYSA-N 449.481 2.417 30 10 IEEE CCOCc1nnc(N2CCSC(CC)(CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314411931 JGMITQOALWKXBN-VHEBQXMUSA-N 448.593 2.453 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)n2)cc1 1315449298 FNMHIPBCVMZPJH-JOCHJYFZSA-N 438.511 2.275 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1315966767 HMXMNDRXIAAFTG-HSZRJFAPSA-N 435.532 2.259 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1358915513 FTOKYGBAOVNWBP-HTAPYJJXSA-N 443.573 2.457 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C(C)C)N1CCOCC1 1358982619 DDQKAIMEIVVFQL-JOCHJYFZSA-N 439.535 2.426 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)NC(C)(C)C 1358989845 RNFBUORFUSXAGS-UHFFFAOYSA-N 435.528 2.484 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1COCCO1 1359015574 XYMULSRFJWNKEJ-FQEVSTJZSA-N 441.507 2.099 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1359036401 VYCMAAQSNHDIKQ-UHFFFAOYSA-N 429.590 2.074 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359049042 GZQMQNPKBBYMES-DZGCQCFKSA-N 447.577 2.126 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1359056614 IHKIQPCEJWYJLD-HOTGVXAUSA-N 428.649 2.124 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCOC1 1359222193 BCLYUWHQSLADEL-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359300341 ZUQWQTAJYWQWKC-UHFFFAOYSA-N 428.562 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359326701 IEQUURITHWLFEL-QAPCUYQASA-N 435.598 2.442 30 10 IEEE C#CCN(C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1360053900 CDKJRBNHPMMSSF-MRXNPFEDSA-N 425.432 2.462 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1360540458 CUIVCDIARWROOF-GOSISDBHSA-N 441.543 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(Br)c(C#N)c2)C(=O)C1 1460566284 AGGURDACTUIKDP-UHFFFAOYSA-N 437.294 2.339 30 10 IEEE C[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1463875836 YWPQSQNCVIVYRZ-KXBFYZLASA-N 434.512 2.210 30 10 IEEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c1 1464160043 OMJLNIXWMWLENB-UHFFFAOYSA-N 441.509 2.460 30 10 IEEE Cn1cccc1C(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1470407616 WMRABIGGLNKXRY-QGZVFWFLSA-N 431.537 2.287 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O 1471251433 GIUCPXDXIARVTB-UHFFFAOYSA-N 441.440 2.191 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)c1cc[nH]n1 1471938552 QGZXAUMOZKRDCV-KRWDZBQOSA-N 448.451 2.032 30 10 IEEE CCOCc1nnc(N2CCc3ccccc3[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1503073943 ZPQDDVJDKSAIQM-XGNMISCSSA-N 436.516 2.465 30 10 IEEE COCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1504818349 DRRROKOMWPCKLN-UHFFFAOYSA-N 443.552 2.104 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccncc1 1507522960 ZLVOGKOQUIOHIQ-KRWDZBQOSA-N 438.557 2.291 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507626428 NXLYYWPYVPEOQL-QUCCMNQESA-N 442.585 2.410 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1507654380 DHVNSGLIVNFEEH-SFHVURJKSA-N 425.920 2.498 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)CC1 1507904861 UIMRQZLHJJYHPP-LJQANCHMSA-N 438.532 2.157 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C)C1CC1 1507989035 VKYOMSCWXPCUON-QGZVFWFLSA-N 445.589 2.224 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1508001042 JTGVPGKGXZOHDH-MRXNPFEDSA-N 443.577 2.171 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1508097258 GZXCXCJEWLBIMB-KSSFIOAISA-N 431.459 2.011 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC(F)(F)CO1 1513019710 MNMRZGKSMIWOFZ-GDBMZVCRSA-N 448.522 2.456 30 10 IEEE CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516810221 CRRYRUDLMKALOU-AQNXPRMDSA-N 443.573 2.350 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1516837644 WMICQGGUYVBPPQ-GOSISDBHSA-N 440.932 2.370 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCc1nnc2n1CCCCC2 1519163609 CFUCUFZWKOVVMO-GOSISDBHSA-N 442.568 2.099 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539202450 IXVKAHLJKLLWDU-HNNXBMFYSA-N 441.479 2.490 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1539409094 NZASBJHUQMCKBH-GOSISDBHSA-N 448.527 2.106 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCCNC(=O)OC(C)(C)C)CC1 1539444804 UMPKMPCYMYVVLL-UHFFFAOYSA-N 427.553 2.333 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539750610 BDDCBPDMONFOGG-QGZVFWFLSA-N 431.562 2.399 30 10 IEEE CC(C)[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1CCOCC1 1540549225 GLLRDUHFRGQKKU-ZVLZEYJHSA-N 434.581 2.246 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1)N(C)C 1541865754 WFGZCCBRAOFMCB-MRXNPFEDSA-N 433.516 2.342 30 10 IEEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543078371 WZKFSKKIUJSTMI-YCRPNKLZSA-N 433.892 2.135 30 10 IEEE Cc1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)CCO2)o1 1543097421 AXPIBNVSXJRSAP-LJQANCHMSA-N 436.520 2.426 30 10 IEEE COCC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555306242 CTVDIFAMKZWIOZ-GUDVDZBRSA-N 447.580 2.369 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1CN(C(=O)OC(C)(C)C)C1 1555611795 FEEOPFGSHWJMAW-HZPDHXFCSA-N 436.557 2.465 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCC2(O)CCOCC2)C1 1555986222 GDCBHHVFCKBFSS-FQEVSTJZSA-N 433.459 2.370 30 10 IEEE COC(=O)C1CC2(C1)CN(C(=O)COc1ccccc1C#N)C[C@H]2C(=O)OC(C)(C)C 1558329885 CNNMNONLCFQPOB-BNGSBABLSA-N 428.485 2.307 30 10 IEEE C#CCN(C(=O)CCCCCCS(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1558370770 TWJGRHVDLXCGEJ-UHFFFAOYSA-N 429.583 2.087 30 10 IEEE CN(CCCO)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1567078047 HOJWPVUYQUMXSR-UHFFFAOYSA-N 435.366 2.062 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3cccc(S(=O)(=O)NC)c3)n[nH]2)c1C 1584700588 GJDKNMWSKPCFEC-ZDUSSCGKSA-N 442.545 2.475 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1587974897 FFBWFKRCAGGZSM-UHFFFAOYSA-N 447.543 2.147 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(C)CN(C)C1=O 1588084293 PHQQXCYRSONYDE-UUOWRZLLSA-N 435.528 2.368 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cc(C)no2)CC1 1588790774 BIWWZKMDJCXDCD-UHFFFAOYSA-N 436.516 2.452 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Sc2ccccc2)CC1 1588864218 AJFNJIXFDBUBBL-LJQANCHMSA-N 438.601 2.337 30 10 IEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1589427195 CYEXYQJNJQDGSY-CQSZACIVSA-N 434.338 2.453 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCO[C@H]2C)C1 1595729838 PYCSTHNAJDBUCD-DMPWYTOCSA-N 434.487 2.468 30 10 IEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOCC1 1595845528 VKAIRVYQMANWCB-UHFFFAOYSA-N 436.607 2.302 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3C[C@@H](N4CCOCC4)C3(C)C)ccc2c1=O 1611537428 GOBUETKAEBISHC-ZWKOTPCHSA-N 428.558 2.100 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1613528802 ZQWJQHYENOAUAB-ZPHPHTNESA-N 445.568 2.205 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1614308335 HJNQXJQJXSYQJT-GOSISDBHSA-N 438.532 2.139 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC(F)F)CCO1 1620354933 DUOHKUZBZCDYIN-INIZCTEOSA-N 427.415 2.156 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccccc2F)CCO1 1620356482 ZOJGPEXQOJUIRT-WBVHZDCISA-N 430.509 2.030 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1 1627181688 FNRIBCMDRDGBSN-AEFFLSMTSA-N 445.564 2.007 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 1628351038 WYKAIGIPLPSDNG-UHFFFAOYSA-N 441.553 2.301 30 10 IEEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 1629802298 NCYSBQURUSPOLD-GOSISDBHSA-N 433.574 2.167 30 10 IEEE CCc1nsc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 1634745902 PWBZTOFCEFIZNH-UHFFFAOYSA-N 433.578 2.400 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1636632021 RGEREUBXGRSWSW-HXOBKFHXSA-N 427.501 2.297 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)cc1 1636903544 NANKLQJZJCAVIB-HTAPYJJXSA-N 447.557 2.118 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCC[C@H](CC#N)C2)C1=O 1641296199 HRPISQITVXEGHS-YJYMSZOUSA-N 433.306 2.368 30 10 IEEE COc1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cnc1OC 1641623503 MOOVMRWFUQPXQN-OAHLLOKOSA-N 432.502 2.191 30 10 IEEE N#Cc1ccc(C2(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CCOCC2)cc1 1648734036 GACXQVAISBGXOB-CMKODMSKSA-N 428.558 2.406 30 10 IEEE N=C1NC(=O)[C@H](CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)S1 1653039794 VBLTVHPSDZTDGI-ZLUOBGJFSA-N 425.301 2.172 30 10 IEEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1c1ccc(O)cc1 1654533104 HUYJGLNKAILABL-LEWJYISDSA-N 445.479 2.277 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OC 1663616636 NUUSYCHZKBLZOG-VIFPVBQESA-N 426.310 2.083 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1671140049 NJWWPKNGNLPEOC-FQEVSTJZSA-N 434.558 2.358 30 10 IEEE C#C[C@H](CCC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1674030614 HZHLCVRGEAYYII-CABCVRRESA-N 425.270 2.276 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 1681597649 BBQRRXQBZGGVII-UFYCRDLUSA-N 436.597 2.435 30 10 IEEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1683691899 PVTMQCUNLKXTEB-UHFFFAOYSA-N 437.509 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NCc1ccccc1 1689830878 DFYYVXPYHPYHMH-JPYJTQIMSA-N 425.533 2.095 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)c1 1689868902 UXBXRQJMOLMEQV-RBUKOAKNSA-N 425.533 2.172 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1689943874 FZJJFLSHXWNWLW-OAHLLOKOSA-N 427.509 2.298 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H](C)C1 1689949099 PYRNXJGBXTVCRM-KRWDZBQOSA-N 443.621 2.348 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1689991694 BDZOMHBGNDRSLS-QGZVFWFLSA-N 436.578 2.388 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)OC(C)(C)C 1690003163 FNZDFAFLVMYFTK-QHCPKHFHSA-N 445.564 2.306 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Br 1690102119 CWXMSHKDLIAZRJ-INIZCTEOSA-N 432.322 2.126 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690126029 SDQXJFIOKRREEP-CTNGQTDRSA-N 443.979 2.329 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CN2CCCC2)CC1 1690146144 GYVZNLQWSLSKAU-CTNGQTDRSA-N 442.608 2.217 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186455 QMUOKYLDVBFXOJ-GCJKJVERSA-N 449.621 2.180 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC)C1CC1 1690543944 URPWCEAPHRSUNU-HSZRJFAPSA-N 438.532 2.134 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690724685 UKTJPWPXAXRSOA-DYESRHJHSA-N 440.610 2.414 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1692661526 DYHZEOARHNVSGZ-WMZOPIPTSA-N 430.578 2.227 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1694214980 ROQKJOXHABJWCC-POAQFYNOSA-N 449.559 2.084 30 10 IEEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1696772708 FNRGSUMGPOIHCF-UHFFFAOYSA-N 436.438 2.487 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1697030617 DUGGZCPAFJMMIP-IBGZPJMESA-N 439.516 2.138 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)c1 1697303411 QQDCVVPVUCNMSW-HRAATJIYSA-N 431.468 2.210 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)CC1 1705662508 ASXTZCDGQQTXRF-UHFFFAOYSA-N 446.646 2.301 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705800405 WQQYFHRMIIAXIS-UHFFFAOYSA-N 443.552 2.468 30 10 IEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1705821992 PAJYYZAMEPYRHK-QFIPXVFZSA-N 435.576 2.338 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C1CC1 1705863606 YSYYROZZHFTKES-UHFFFAOYSA-N 440.523 2.372 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCCC1 1705882776 KIHRJWQQSWLBJY-UHFFFAOYSA-N 438.536 2.255 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705899269 MYMZMCFQLAVRDL-HXUWFJFHSA-N 438.576 2.104 30 10 IEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2)cc1 1705909215 QGGHTQQBABAHOT-UHFFFAOYSA-N 435.532 2.497 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@H]1C2 1705912956 ZOVDXDJDRRSYEC-BQFCYCMXSA-N 431.562 2.490 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1706644197 QKSPKBOHBNPUAS-UHFFFAOYSA-N 426.521 2.177 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)n1 1707832440 BYVNSFOYYNUORY-SFHLNBCPSA-N 427.553 2.320 30 10 IEEE Cc1nnc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)s1 1707846889 DKEFWBXZPSPOBK-HXUWFJFHSA-N 437.533 2.458 30 10 IEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1711543012 FXSDFDOWBYDJPZ-GDBMZVCRSA-N 426.587 2.079 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cncn1 1722419287 WIONVZQBBPHONI-ICSRJNTNSA-N 439.495 2.073 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCCN2CCOCC2)CC1 1722434794 WFBITDSZQZVTAE-UHFFFAOYSA-N 436.604 2.375 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1722473409 CTDQEGUSDVFSLT-DENIHFKCSA-N 433.622 2.438 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCc3ccccc32)CC1 1722573832 AUXNYLDMPZDTPK-KSFYIVLOSA-N 445.589 2.125 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)OC 1722654439 NILKSHPWZLVHQC-FUHWJXTLSA-N 434.562 2.416 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1722665107 KJHVTDIPTDDKNQ-SLFFLAALSA-N 430.597 2.495 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOC)C1 1722712821 ABFBYHXUQKUCOB-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)cs1 1725343837 LAYFJRDDCGHYJG-NQIIRXRSSA-N 447.584 2.313 30 10 IEEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1728015387 JXCQYJVNZHHPDF-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCCN1CCOCC1 1729396173 ADGBCZYFLPWITC-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1729474305 RDXUSFCQEJFWHV-BJFAEBDGSA-N 444.536 2.051 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1740558082 SKKGUAWZGVBDFX-CQSZACIVSA-N 426.912 2.413 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740621683 YUHHAHRZBXVRCX-ULQDDVLXSA-N 444.557 2.245 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625109 DAAMHAXCISJVFI-UXHICEINSA-N 435.638 2.224 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1740628398 XJGRIVMRUSFDRO-FQEVSTJZSA-N 430.574 2.298 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@@H](C)C1 1740680605 IJPALDWUPWRBLM-ZWKOTPCHSA-N 446.573 2.250 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1740688622 HEIPAACHGMRDRK-OALUTQOASA-N 430.597 2.013 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740714714 ILVDIHPSLUETGX-UHFFFAOYSA-N 436.541 2.308 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740720456 ZEDFPJPJUNGTIA-IRXDYDNUSA-N 444.630 2.309 30 10 IEEE C#CCSCCn1c(N2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)nnc1C(C)(C)C 1740723336 PGZXKAIEVKJLQL-CVEARBPZSA-N 429.594 2.446 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1741971114 JAGOVEKGWQDJCX-UNEWFSDZSA-N 430.896 2.079 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1741983190 HOVMFCXYRBJEEH-JOCHJYFZSA-N 440.523 2.420 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748820022 XKYCHWWMUBRHEV-JOCHJYFZSA-N 449.580 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCCC 1748892912 XXGFUAMPQJWLBQ-NHCUHLMSSA-N 445.633 2.298 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2cnccn2)CC1 1749045377 ZOOWGECSYAJDOF-UHFFFAOYSA-N 425.587 2.413 30 10 IEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749292615 ROHZRMNHCXYKTG-QHCPKHFHSA-N 438.532 2.118 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749458335 ZRVHCHMJJAAYOL-NRFANRHFSA-N 439.560 2.266 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC2(CC2)C1 1749651252 QNWWZLAYVCFZJK-INIZCTEOSA-N 429.496 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc2ccccc2[nH]1 1749721692 QWRIWWWFMNXZCK-UHFFFAOYSA-N 444.561 2.135 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1751255255 VZYNAJRDMJGMRH-SZFUDVHCSA-N 430.459 2.477 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)OC)c1 1760128069 XGTDSBVHFUKPRZ-GOSISDBHSA-N 435.532 2.231 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760180745 KOPQQFHXGQJJCH-HCXYKTFWSA-N 438.594 2.065 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760360591 HEDSESASWBVQPI-LJQANCHMSA-N 444.536 2.418 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Cl)cn1 1760461269 MEFSQNYMCWXTLS-UHFFFAOYSA-N 434.957 2.411 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(C)C1 1760557388 KBNRULKCPWVALX-UHFFFAOYSA-N 427.530 2.486 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1760565651 BRWDEZSYWQOVQC-SJORKVTESA-N 428.624 2.352 30 10 IEEE C[C@@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCC(C)(C)O)CCO2 1763278436 DDDGHRUGYZBWFR-GAJHUEQPSA-N 441.532 2.274 30 10 IEEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(C)=O)CC2)cn1 1765325363 GAMLHMHAIXANNX-UHFFFAOYSA-N 432.532 2.434 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCSC)CCOC1 1767473932 SDLFFXSWAAWQKA-NQIIRXRSSA-N 434.610 2.250 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1768540658 UHKNILDBMJKYHL-JLUOLNIDSA-N 449.540 2.285 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CCO1 1769240603 GBBRXNXUYNUJBU-RDJZCZTQSA-N 430.459 2.203 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C(C)(C)C)no2)CCO1 1769243283 SGOIGWGSXXQQRL-SFHVURJKSA-N 449.515 2.102 30 10 IEEE CO[C@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1769601009 VAJMABABUXBKJQ-XJKSGUPXSA-N 449.441 2.484 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C1 1770727538 GUCNDJJEWKSAQR-RDTXWAMCSA-N 437.401 2.328 30 10 IEEE CSC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1771440219 DESMCTKVNXJTTL-GOSISDBHSA-N 426.546 2.007 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CCO1 1771536967 FUZFIZAFZVJWJW-HIFRSBDPSA-N 438.385 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCOC1 1772659963 HANAROSJVVTQNE-OAHLLOKOSA-N 439.969 2.457 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3F)C2)CC1 1851071012 RRMQIDFDIQHQMQ-OAHLLOKOSA-N 427.867 2.447 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCN(c4nccn5nc6c(c45)CCCC6)CC3)cnc21 1851266711 KHDDKOTVZDOSGL-UHFFFAOYSA-N 440.511 2.329 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccccc2-n2cncn2)cc1 1852284517 ZXGFANNSXYKZBZ-HXUWFJFHSA-N 433.468 2.076 30 10 IEEE CN(C)C(=O)CO[C@H](COc1ccc(C#N)cc1)CN1CCN(c2ccc(F)cc2)CC1 1852514868 BXSNPRQRCYZDGN-QHCPKHFHSA-N 440.519 2.372 30 10 IEEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(Cl)s3)C2)CC1 1855873494 VVIPMLAQSCLUBK-AWEZNQCLSA-N 429.933 2.479 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(F)cc4F)C(=O)C3)C2)s1 1856275737 OPARJIMHRDDATG-OAHLLOKOSA-N 430.480 2.457 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862676249 FBRRIOGDWWSILU-SFHVURJKSA-N 427.388 2.448 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874340613 PQYZUBVNPROMDG-QQZPLFJDSA-N 445.545 2.146 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)CC1 1891026937 ZMDMPQMBZODAFA-UHFFFAOYSA-N 442.560 2.094 30 10 IEEE C=C(CS(=O)(=O)N[C@@H](CCO)COCc1ccccc1)B1OC(C)(C)C(C)(C)O1 1902881493 RUVQPGUVWUYNBI-SFHVURJKSA-N 425.356 2.061 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1908627332 XSTZNBZWUDUZAZ-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@@](C)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1982282286 WQUGXNWYRFPWKK-SAHAZLINSA-N 431.374 2.332 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1 1982297816 IGLPWUJXAUILRC-QFIPXVFZSA-N 431.374 2.190 30 10 IEEE C#C[C@@]1(Oc2ncnc(O)c2I)CCN(C(=O)OC(C)(C)C)C1 1992438804 AUCCVTMSVOVWJN-OAHLLOKOSA-N 431.230 2.178 30 10 IEEE C#C[C@@]1(O)CCCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2009819264 JDBDBVYZXBJDOY-RPWUZVMVSA-N 427.545 2.143 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC12CCOCC2 2054341307 NETRZUUTNNNXGJ-ZDUSSCGKSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CO1 2060638337 VUXQQBTXBOSFHM-ALYAQQCSSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659217 JXQQCCQBUABFAN-HOCLYGCPSA-N 433.314 2.002 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232267689 FCSDEJIMWBGTIL-UHFFFAOYSA-N 446.401 2.370 30 10 IEEE C[C@@H](CN(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243416415 FIOAYRXGHCQUJK-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)C1 2247542145 KBZIDKYUHCEEFE-CSPXAMEDSA-N 430.501 2.468 30 10 IEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255369157 VMGJTCGAGJSHFL-JKSUJKDBSA-N 433.358 2.499 30 10 IEEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255630398 JVDZLSAXDFAKRQ-DZGCQCFKSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]1C2 2255656930 IECINVDJDMCCLB-JLJPHGGASA-N 431.342 2.442 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255712648 PUDCPXBPHQLQQY-NWDGAFQWSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(C)C 2267142701 XSFUCDLAYYFCGX-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]21 2267145105 DRHBZSTYYPHYSO-XOKHGSTOSA-N 446.357 2.227 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2267161754 GMZBABGJRXCSIR-MOPGFXCFSA-N 436.365 2.301 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267176145 WCQZNWDEKMTKSU-MRXNPFEDSA-N 446.357 2.295 30 10 IEEE C=CCC1(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267180137 CDMPGAZCKFEZKQ-UHFFFAOYSA-N 446.357 2.015 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267260450 NXPPFCKNJHPCDK-HYVNUMGLSA-N 445.369 2.310 30 10 IEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267270284 KLOAVZSNHGUSAD-OAHLLOKOSA-N 448.373 2.493 30 10 IEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267514589 BIIPLRIAZWIODC-UHFFFAOYSA-N 448.373 2.048 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2267529071 JBRCJMTUVSAKAT-CQSZACIVSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267607837 BOJNUGHUMMMUMY-CABCVRRESA-N 446.357 2.197 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268655587 NRCIPGQXGLDFMO-GJZGRUSLSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268706060 LQYSCTRHIAJVIB-UHFFFAOYSA-N 446.353 2.020 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCOC1 2268708644 DJOOPYNZYBFHHI-YOEHRIQHSA-N 447.341 2.249 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2268712695 TXFXWBGOGGPXDV-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272636491 LUNXVMARJLZSGU-CMJOXMDJSA-N 445.369 2.311 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339567 FTOZYXPTFYUBIA-STQMWFEESA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2312855532 YUXOHGJUJFASBI-XGUBFFRZSA-N 438.330 2.438 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2315393162 ZYLIXERIYPZBSZ-IAGOWNOFSA-N 433.358 2.154 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)n1 2315397652 DOHHLIUTJHVVOG-GJZGRUSLSA-N 425.260 2.431 30 10 IEEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(Cc2ccccc2)C1 2337200883 OENCISAEJKRRHS-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1 20527494 QYAFKWZHTXHEDG-YSRRJJCPSA-N 441.517 2.122 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(C)C)c3ccccc23)CC1 30327826 GDJITOBYAXQEEA-UHFFFAOYSA-N 431.558 2.236 30 10 IEEE C=CCOC[C@H](O)CN(Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)CC(C)C 36207171 SMKLVZXDOSKTSW-OAHLLOKOSA-N 437.562 2.491 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2/C(N)=N/O)cc1Br 155816527 PWUQLCUZHWFSDZ-JTQLQIEISA-N 441.145 2.420 30 10 IEEE C=CCn1ncc(NCCN2CCN(Cc3ccccc3)CC2)c(Br)c1=O 390906537 LWBYXCZAQZPIJG-UHFFFAOYSA-N 432.366 2.422 30 10 IEEE N#C[C@H]1CN(S(=O)(=O)NCc2ccc(Br)cc2C(F)(F)F)CCO1 409574816 JSGALVQCXLUKIO-NSHDSACASA-N 428.230 2.027 30 10 IEEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1OCCc2sccc21 429911467 SDTHVONMWMNKDN-FOIQADDNSA-N 445.566 2.403 30 10 IEEE COc1ccc([C@H]2NC(=O)N([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)c(OC)c1 431631105 BFQBXMKZNISQIP-AZUAARDMSA-N 434.452 2.364 30 10 IEEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCC[C@H]3c3ccc(F)cc3)n2)cc1 441242103 ZUIJDJBKOWFSIF-FQEVSTJZSA-N 432.459 3.029 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCCCCN2C(=O)c3ccccc3C2=O)cn1 462097467 KZVNUPXZPWBSFQ-UHFFFAOYSA-N 429.440 2.337 30 10 IEEE CNC(=O)c1cccc(OCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 473575027 ZPYOZTYKXKKTRM-FQEVSTJZSA-N 426.904 2.487 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 482179751 MSOLCVBIPGPYBW-HNNXBMFYSA-N 431.489 2.434 30 10 IEEE N#Cc1cccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)Nc3ccccc3F)c2=O)c1 502456159 NQUPARURFAXSLF-UHFFFAOYSA-N 447.491 2.148 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c[nH]nc3-c3ccccn3)CC2)cc1 502602424 UJOFMMNWEFIURH-UHFFFAOYSA-N 436.497 2.383 30 10 IEEE CCOC(=O)COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 506807910 WJZSPZBSSYJFTP-UHFFFAOYSA-N 443.525 2.007 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 508906016 CGLTYARZHHYLAU-GOSISDBHSA-N 426.565 2.412 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCOC2)cc1 550092572 BGJCLYJPNLIXRY-MSOLQXFVSA-N 446.577 2.040 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 578455628 RJNVBFHRJDBTCA-UXHICEINSA-N 445.589 2.489 30 10 IEEE Cc1c(NC(=O)CSCC(=O)NC2(C#N)CCCC2)c(=O)n(-c2ccccc2)n1C 585705292 KYIURADEKWTXPD-UHFFFAOYSA-N 427.530 2.109 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Cl)c(OC)c(OC)c3)N2N1 588226972 AGBIUEQSPKEFOD-IBGZPJMESA-N 442.928 2.419 30 10 IEEE CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138115 JETPEPCKLMLZRX-CXAGYDPISA-N 442.532 2.389 30 10 IEEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)C)c1 730144275 IXWVXDBSVHTVJS-GOSISDBHSA-N 436.578 2.359 30 10 IEEE N#C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)CCN1C1CC1 732648304 RGRWKVNJKQDRHM-NSHDSACASA-N 425.802 2.147 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)cc1 744007541 LPOWYZKTUVYIQB-MRXNPFEDSA-N 441.538 2.426 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ncccc2F)C1=O 751658122 OAYNNPAAPIYWEM-SFHVURJKSA-N 429.521 2.420 30 10 IEEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)c1 751924759 DDZURRBYBRBKQO-OAHLLOKOSA-N 428.505 2.350 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@H]3CCCO3)c2=O)cn1 772279781 QYUNJMBKNQMUJG-GOSISDBHSA-N 438.553 2.038 30 10 IEEE COC(=O)c1cccc(COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)c1C#N 780254114 GLMIABKCCNHRCM-QHCPKHFHSA-N 438.436 2.474 30 10 IEEE C#CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 782080944 IJYBWUSQQSFZOY-HNNXBMFYSA-N 443.447 2.182 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1=O 785555305 QAVMSOSOUPFIMK-CYFREDJKSA-N 432.480 2.446 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)ccc1Cl 796151612 QFBWJNRVSWKHRM-CABCVRRESA-N 427.910 2.270 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2cnn(C)n2)c1 807928503 GJJAMINWFYXDSI-AWEZNQCLSA-N 440.451 2.324 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccco3)n2C[C@H]2CCCCO2)CC1 812435844 XFXLBTLNTWSARL-HXUWFJFHSA-N 425.533 2.191 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc(OC)c1OC 916192526 NXLGPIKCKPWRLM-UHFFFAOYSA-N 437.452 2.091 30 10 IEEE N#Cc1c(CCCNC(=O)NCc2cccnc2-n2ccnc2)nn(-c2ccccc2)c1N 916415088 UHHYNVODFGDNBF-UHFFFAOYSA-N 441.499 2.339 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3NC(C)=O)n[nH]2)cn1 1084284905 CTWCAHSKQZQCCW-UHFFFAOYSA-N 439.505 2.322 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 1126293833 JFQKIMHXZPHHPM-NVXWUHKLSA-N 428.489 2.417 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CCO2 1133450158 PMUNHTHVPJNKFC-FOPHHXNCSA-N 445.903 2.182 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(OC(F)F)cc2F)cc1S(=O)(=O)NCC#N 1151851604 YGJFULDANLIZBY-UHFFFAOYSA-N 427.404 2.467 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](c2ccn(C)n2)C1 1155754322 JAOCMRWZLZJAJS-LPHOPBHVSA-N 443.573 2.280 30 10 IEEE CCc1onc(-c2ccccc2Cl)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159489519 FKILBUBTBXSBTC-UHFFFAOYSA-N 425.832 2.388 30 10 IEEE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCN(CCC#N)CC2)c1 1171874486 GMFXVTNSULBREE-UHFFFAOYSA-N 428.514 2.167 30 10 IEEE COC(=O)[C@]12CCC[C@H]1CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1176312322 JJQMDJOEBCAJSC-AOMKIAJQSA-N 447.557 2.087 30 10 IEEE Cc1c(Br)cccc1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1184246154 BATOXSCDDNYTIR-UHFFFAOYSA-N 436.331 2.266 30 10 IEEE N#Cc1cc(Br)cnc1N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1185848646 PPYBMSLKXSKTFL-CQSZACIVSA-N 427.258 2.217 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1 1198252223 VODRHIYSXXDVGE-QFIPXVFZSA-N 442.541 2.154 30 10 IEEE C=CCC1(NC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CCOCC1 1199821336 MJMULFUBEKWHCI-UHFFFAOYSA-N 436.578 2.260 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)C1 1210696760 YHUZUWDQZXKBTN-IAGOWNOFSA-N 428.537 2.420 30 10 IEEE COc1cc([C@H](C)NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1S(C)(=O)=O 1251613660 IBDJNXJJSPPTGX-YOEHRIQHSA-N 444.513 2.289 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1286336556 UDSVGSIAGSMEFP-UHFFFAOYSA-N 440.552 2.099 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2Cc2ccn(C)n2)n1 1286471120 IZESXGQRSRSIBA-UHFFFAOYSA-N 448.506 2.349 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccccc2)CC1 1286494060 LBKITKUHKHIJON-UHFFFAOYSA-N 444.539 2.309 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)C)CC1 1286549538 XWTINJARYWUAMP-QUCCMNQESA-N 439.564 2.437 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286563037 UDBFLHYBJGCMPR-MJGOQNOKSA-N 448.593 2.020 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1286778807 BGJXNBSAVIBAMN-UHFFFAOYSA-N 441.532 2.378 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC(C)(C)[C@H]1C 1286792995 OIVOFWGUABESQB-MRXNPFEDSA-N 429.521 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(C)C)C1 1286824774 IMIMOBVYIQITMO-SQNIBIBYSA-N 426.583 2.085 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286917868 AKWQGSBIMXJSFO-HXUWFJFHSA-N 449.559 2.180 30 10 IEEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286987116 AFKFQADDGLSBKH-QYZOEREBSA-N 449.559 2.135 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1F 1289600212 NGMQSDKMFIZBRV-HXUWFJFHSA-N 448.564 2.389 30 10 IEEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 1290039450 HBAMBZBWDLLBNW-INIZCTEOSA-N 428.539 2.494 30 10 IEEE CN(C)CCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cn1 1291831446 DNLXIAKVZVXSIP-HIXSDJFHSA-N 446.577 2.290 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(Br)cc1C#N)CC2 1294195140 GJGXBPSGRDPURN-UHFFFAOYSA-N 434.315 2.361 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1295608155 LVSRZIPOVPZDAX-GUXCAODWSA-N 430.567 2.089 30 10 IEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCn2ccnc2C)c2ccccc2c1=O 1296213209 BIYAVAXJKRVSSW-MRXNPFEDSA-N 445.531 2.476 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1300302937 FQNIUVDLKLRQCH-HNNXBMFYSA-N 446.515 2.457 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC[C@@H]2C)CC1 1300723315 RTUAHHUGSSYATR-SXLOBPIMSA-N 429.565 2.158 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1300723401 UFUXIDHDLMZVKQ-AZUAARDMSA-N 436.560 2.165 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300893001 XLCMTGVNRJVIOR-NZQKXSOJSA-N 444.624 2.202 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)SC)CC1 1301127111 YVCIMBSWDRABRO-INIZCTEOSA-N 443.639 2.155 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301260261 WKENSMBHDMJONY-SFHVURJKSA-N 427.505 2.111 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CCC)nc2C)C1 1301556729 JBHDRNDLWBFSBM-DLBZAZTESA-N 449.577 2.259 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCC[C@H]1C=NNC1=O 1301570247 CJCBYUFDSRXULH-FUHWJXTLSA-N 425.489 2.021 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1301624274 TXYXXMWIMOHDMT-HKUYNNGSSA-N 437.610 2.368 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1301956841 NZULRICGNWLBPX-LBPRGKRZSA-N 443.371 2.077 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)OC(C)(C)C 1302031077 UZESDJHCHXBWFH-FOIQADDNSA-N 440.520 2.359 30 10 IEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCC2=O)CC1 1303009060 DGECFHPNRPTLHD-UHFFFAOYSA-N 427.553 2.047 30 10 IEEE CC(C)c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305136635 QEEAYBMTQIHYMR-OXJGYNLJSA-N 442.442 2.084 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@@H](C)C1 1305792609 UEHFAGRZOOFKGB-QUCCMNQESA-N 445.612 2.437 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CCN1CCOC 1306409453 JTIZDRGGIGVJRZ-WOJBJXKFSA-N 430.528 2.348 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)C1 1309997045 XUCCTRCUVYQQCJ-SFHVURJKSA-N 448.589 2.479 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCC[C@H](C#N)C1 1310074671 HOFWHNMAAPPBTG-QGZVFWFLSA-N 449.577 2.321 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1313098418 UOFMODZSPOXVAZ-IBGZPJMESA-N 444.557 2.069 30 10 IEEE CN(C)c1n[nH]c(CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1313228969 IHVGFQFNAYMDLF-RNFRBKRXSA-N 436.307 2.183 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)ncn1 1315062498 NBSFADNGBKZGJM-OKZBNKHCSA-N 439.568 2.411 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1C[C@H]1C 1316205128 BRLIRGNVSVTDGT-ZHALLVOQSA-N 425.537 2.251 30 10 IEEE Cc1c(C#N)cccc1C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1321261796 DJKDKTTWVLFQFI-UHFFFAOYSA-N 441.509 2.238 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)NCC)CCC1 1358877772 KGUQQGJVJSTJQJ-INIZCTEOSA-N 443.573 2.113 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1358940945 SMIMUQYRLAXWJH-KXBFYZLASA-N 434.338 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)cc(C)c1 1358984551 ALEFKMFOEZVMIS-LJQANCHMSA-N 427.574 2.211 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCC[C@@H]1C 1359021317 KXQCTGRPKRPEIS-SFHVURJKSA-N 425.533 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359095232 LRBGTOIKNQUDFK-ZCNNSNEGSA-N 441.557 2.421 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359290962 YJOPGPFBBSBRDY-IAGOWNOFSA-N 425.599 2.148 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccccc2OCC)CC1 1359331578 CYDQMEBPTNOZJZ-UHFFFAOYSA-N 445.589 2.482 30 10 IEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1359335903 YDTWAIFTAWOTMA-KRWDZBQOSA-N 447.586 2.208 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1359588698 XHADUVQBMBPDDL-BEIWTESXSA-N 432.506 2.129 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)C1 1360034215 CUEOEVYXJOTJGE-QFIPXVFZSA-N 438.576 2.382 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)[C@H]2C[C@H]21 1458001763 IMWMDKFNBDLCDC-XWTMOSNGSA-N 443.500 2.440 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCCC[C@H]3[C@@H]3CCCN(C(=O)C(F)(F)F)C3)nc12 1460392502 VKUJOUMJNUNURJ-CJNGLKHVSA-N 436.438 2.462 30 10 IEEE Cn1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(F)(F)F 1463032541 VLMKDFVZFNLRKB-UHFFFAOYSA-N 441.435 2.350 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)CC2)c1 1479100146 GNPHRRBBQOBSAN-QGZVFWFLSA-N 442.882 2.383 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1493302842 BNXJRVSLNCPKMM-DICRZQGBSA-N 438.598 2.222 30 10 IEEE CCc1nc(C)c(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)o1 1498263123 SACUZPVUOGQWGD-AEFFLSMTSA-N 443.552 2.086 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)CCC(F)(F)F 1502188879 HUZGDAZHKBRCLL-KRWDZBQOSA-N 449.481 2.403 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1503860585 GGKJRIIZBZAPAI-MRXNPFEDSA-N 436.438 2.310 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1504647799 SPWRLTNSBUALJD-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1507651299 KTCAJZKXFMYDPS-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2ccncc2)CC1 1507721739 TUIKICFXBUZLHC-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507749317 XZOCTRARIJYEPM-QGZVFWFLSA-N 441.582 2.483 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1507757804 YSRFPEBZIVJPMK-UHFFFAOYSA-N 425.602 2.470 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1507800243 MMYJLMYXTMECBF-HKUYNNGSSA-N 425.537 2.173 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1507955004 UFMNZZOBOGUODK-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1507957135 LHUIGNCJWMSVOP-GOSISDBHSA-N 440.548 2.407 30 10 IEEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1510299093 CVKUPHVYNJXGQM-QGZVFWFLSA-N 443.502 2.119 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](C)Oc3ccccc3F)CC2)c1C#N 1511661877 HGFDGLQCOLXOMA-OAHLLOKOSA-N 438.511 2.433 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC[C@H]1C 1518606012 RVLLRMKROQGLDQ-SZVBFZGTSA-N 429.546 2.113 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2COCCO2)CCO1 1521121326 JSLWEFBWJJESLL-IRXDYDNUSA-N 448.321 2.242 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](C#N)C2CCCC2)CC1 1536415445 HWVHLMDCIBESDR-GOSISDBHSA-N 433.530 2.072 30 10 IEEE C#CCN(C(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 1537469533 WUZUYVXLGGMLST-ZDUSSCGKSA-N 435.908 2.416 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCCC1 1539165538 DEXJMHNWBOBRTR-UHFFFAOYSA-N 430.530 2.143 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCc2noc(CC)n2)CC1 1539459525 IFGYZIGCHALBNC-UHFFFAOYSA-N 435.532 2.109 30 10 IEEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1539729010 FLLFCXDQVUZDQB-LPHOPBHVSA-N 447.511 2.101 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540037532 NOBZGTALHOGGCW-OAHLLOKOSA-N 440.516 2.363 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1540875939 CHVYALJKOIXGRB-MBSDFSHPSA-N 443.523 2.365 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@H]2C)C1 1540894121 RALBYSCZSPSGTN-VQIMIIECSA-N 432.594 2.136 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1ccc(C#N)o1 1541680660 AODWLNJHGFSVGY-FQEVSTJZSA-N 445.483 2.379 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1544756401 VCGBYRJZHYVMBR-VQIMIIECSA-N 446.502 2.398 30 10 IEEE CN(C(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)c1ccccc1 1556413833 ZVLIDSOCNATQQK-OAHLLOKOSA-N 429.473 2.248 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)s1 1558136765 XVGMGUHJUIRYGL-IBGZPJMESA-N 435.527 2.349 30 10 IEEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1558605894 FKIAFNABDZHJLF-GOSISDBHSA-N 447.513 2.311 30 10 IEEE C=CCn1cc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)nn1 1564958429 SPOAYEGHQGSKNM-INIZCTEOSA-N 434.541 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 1565758061 MMJKJCXZHHBPOT-FUHWJXTLSA-N 433.530 2.086 30 10 IEEE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1570831182 KPYCTMLKTVKRJD-QZTJIDSGSA-N 425.493 2.436 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CCOCC1 1585148590 DATWPQGFJALUAO-OAHLLOKOSA-N 438.855 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1587569043 UZCYTVPLFRVTME-BXKMTCNYSA-N 437.544 2.111 30 10 IEEE CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N(CC#N)CCC(=O)OC)cc1 1587585320 IPGAUSZUBYOLMX-UHFFFAOYSA-N 447.538 2.275 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC(C)(C)C1 1588659596 LMVVUTDJEHWDDV-UHFFFAOYSA-N 447.530 2.344 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1588741616 FXSMEVANMHLPNJ-SFHVURJKSA-N 445.589 2.029 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1588752041 PMBVZFIZYOLLNW-BJKOFHAPSA-N 445.608 2.015 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1588837570 YMBSUJMHLPEJMU-UHFFFAOYSA-N 436.486 2.153 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCCN(C)C 1589135334 XKLHVJKMSBSWTP-XMMPIXPASA-N 438.576 2.397 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1593660993 XMTOHJXEIFZXCS-UHFFFAOYSA-N 426.521 2.277 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1593752931 UDCLLJRNELHDMU-HNNXBMFYSA-N 440.516 2.363 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1595141782 LCPCPBQTVAYMSB-LEWJYISDSA-N 434.562 2.336 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCS(=O)(=O)CC2)cc1 1595607258 CITCWCBQCCRNCO-UHFFFAOYSA-N 425.514 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595778038 UWHLCTBNDHCLOA-FXAWDEMLSA-N 440.573 2.090 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595866469 LXOBXQCVNZGLHT-UHFFFAOYSA-N 436.607 2.120 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1596830444 ANZKFPOBDWTKQM-XLIONFOSSA-N 440.548 2.497 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1608095195 AQBXTBDRUOSPTF-UHFFFAOYSA-N 449.481 2.416 30 10 IEEE Cc1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1NC(=O)c1ccccc1F 1611594732 YBMKMCQBHWLQGL-UHFFFAOYSA-N 447.426 2.218 30 10 IEEE C=CCC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1618325591 SIGAUINPEYYPSX-INIZCTEOSA-N 438.546 2.296 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(CC(=O)Nc3cccc(C#N)c3)C2)nn1 1618346576 FLQJUIJAFSZTSR-LJQANCHMSA-N 439.520 2.450 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1618358998 PIQMJEUXEQASSZ-SFHVURJKSA-N 447.561 2.025 30 10 IEEE Cn1cc(Nc2nnc(CCCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1618419091 WSZNHHIMXFHYNA-QURGRASLSA-N 446.515 2.457 30 10 IEEE Cc1cc(NC(=O)CN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)no1 1629966019 GCKGGHKNNMDXME-DBWCEAHUSA-N 431.493 2.167 30 10 IEEE CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1631704391 FUUQMEYTCSBYKQ-QGZVFWFLSA-N 444.598 2.140 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1638465583 LEGJGWYNLVVFFB-KGLIPLIRSA-N 437.493 2.347 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1639840408 LWDCZPGFBDROAF-KRWDZBQOSA-N 430.526 2.333 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)cc1 1640954930 HFMVZCJQSGJBSJ-UHFFFAOYSA-N 440.308 2.433 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCc3ccc(C#N)cn3)nn2)CC1 1642038297 TWBOXKOWAUWHDD-QGZVFWFLSA-N 425.493 2.437 30 10 IEEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]2CCCN(CC#N)C2)c1 1648595719 XLGXHJOUFLWCGN-UYAOXDASSA-N 430.549 2.483 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1649063573 NFUZCMCCQACXCO-HXOBKFHXSA-N 436.508 2.383 30 10 IEEE Cc1ccc(C(=O)Nc2cccc([C@@H]3CCCC(=O)N3)c2)cc1S(=O)(=O)NCC#N 1652076511 ZMTWTFNIQLESCG-SFHVURJKSA-N 426.498 2.390 30 10 IEEE CN1C(=O)Cc2cc(S(=O)(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc21 1655259922 BLQHKGBJPREIHL-UHFFFAOYSA-N 429.473 2.448 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)CC1 1659720100 OHCBLXHFMZRKPO-WMZHIEFXSA-N 434.569 2.409 30 10 IEEE C=CC[C@@H]1CCN1CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1660526185 GWFGMSWLRSMQQD-GOSISDBHSA-N 425.533 2.219 30 10 IEEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1C)C(=O)OC 1668852294 JSXMKBSFBOPJBJ-GFCCVEGCSA-N 426.716 2.433 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 1670841563 UCPCPGNEEDDXBE-IBGZPJMESA-N 447.561 2.322 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)CC1 1677915784 HMABSUNZIZIKGU-GOSISDBHSA-N 442.541 2.335 30 10 IEEE COc1cc(OC)c(C[C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 1682663648 XMGHWHQAFXOCNY-INIZCTEOSA-N 439.516 2.442 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 1689851436 QWLVSAVHTNZDGT-ZHRRBRCNSA-N 433.553 2.002 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689970959 JCORTOHGVNRODY-QZTJIDSGSA-N 433.603 2.204 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689988982 ZTHRBMBVUWDDTG-YJBOKZPZSA-N 432.521 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1690012295 YDAAJDAHPGTUOF-IBGZPJMESA-N 448.552 2.028 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCNC(=O)c1cc[nH]n1 1690088232 FNDHTQIOKAQJSV-UHFFFAOYSA-N 444.474 2.272 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCN(CC)C2)CC1 1690134664 AKIPSLNQQHVVDA-PWRODBHTSA-N 428.625 2.294 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H](C(C)C)N1CCOCC1 1690193561 MSOFRVUWLPBVCT-TXTKFYIRSA-N 433.597 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)C1CCCCC1 1705584442 KKTQMYQIZRFEQD-UHFFFAOYSA-N 443.555 2.381 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCN(CCc3ccccc3)C2)CC1 1705645137 LYVMHXQQZKLMQZ-QFIPXVFZSA-N 434.588 2.117 30 10 IEEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705766841 QHQPHFJTMRYGAS-UHFFFAOYSA-N 446.508 2.348 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705890741 FUFNMXXWAUGLMI-MLHJIOFPSA-N 433.553 2.491 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1705926168 ZDBUTANFRBZQPV-RTBURBONSA-N 446.573 2.427 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C)C1 1705935469 SEIGMTOGGIKPPC-IRXDYDNUSA-N 434.562 2.092 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708134074 LOVRHVFUPGBHJV-YIYXVTKBSA-N 447.499 2.101 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCS1 1708234714 SNCJNXVWQDRFNA-APWZRJJASA-N 429.546 2.476 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1708756420 COWUVTFNBUAPNL-SFHVURJKSA-N 430.553 2.132 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1710704966 RVFDBMZSXYJMJW-JXFKEZNVSA-N 426.512 2.301 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1711203437 FWXACGZNUMAJGG-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1712130006 DSTQLLKSNPNJDN-SFHVURJKSA-N 445.527 2.457 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccccn2)CC1=O 1712468425 CYIOLLWJICSMOG-IBGZPJMESA-N 445.527 2.343 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C1 1712585656 MVCJZFAMMUWMJZ-REWPJTCUSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722282648 ZPILDXTXHOVWMF-BXWFABGCSA-N 429.487 2.272 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722324059 ZJRJPHOSDIAKRT-PKOBYXMFSA-N 425.537 2.331 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCN(CC)CC1 1722349381 LJBSXOFMJQOXJT-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1722363138 QUQNATBPCGAAQW-HXUWFJFHSA-N 439.541 2.036 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722385195 CYTINGJHSCHREK-HXUWFJFHSA-N 445.489 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(CN2CCOCC2)CCCCC1 1722393507 DHBRJWNUOKZFPA-UHFFFAOYSA-N 447.587 2.481 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@]2(CCOC2)O1 1722416859 QKRUNEWJIJZUGE-IIBYNOLFSA-N 429.546 2.067 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N(C)C 1722418615 WYFMELDDLYOQBW-UHFFFAOYSA-N 442.520 2.010 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1722446297 RBGMTWQJSOYDBH-UHFFFAOYSA-N 434.544 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1722449124 MXNPZWVMJBBYSO-NRFANRHFSA-N 426.609 2.317 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)OC 1722469023 ZQDMWBPMALTBDH-HRAATJIYSA-N 431.562 2.222 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1722475667 WSNOKDYORCPBBS-VGOFRKELSA-N 441.557 2.201 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1)c1ccccc1 1722539961 FNTKAWVTLQPWOA-UYAOXDASSA-N 425.533 2.354 30 10 IEEE C=CCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1722622161 GXKJAMDSKKVSNS-NFBKMPQASA-N 432.613 2.113 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722690389 FJKHTRBAWWVKLF-MCFFVMPBSA-N 430.553 2.197 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCOCC2)C1 1722709268 LTKGDNBLXMJUJU-QGZVFWFLSA-N 435.594 2.208 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1726739852 FAAYUMCNWLDNBH-LMMKCTJWSA-N 438.532 2.068 30 10 IEEE COCCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730678415 ZPFZMYSWBHTYFJ-UHFFFAOYSA-N 432.532 2.356 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCOC[C@H]2CCCO2)CCO1 1731187569 SLVUJWSLALRAMJ-MSOLQXFVSA-N 445.495 2.311 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2([S@@](C)=O)CC2)c1 1740565368 TVFOYVDAAAWWFS-WTPASJBYSA-N 441.557 2.097 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740591141 LQFPFYVFIWHWSJ-UHFFFAOYSA-N 439.470 2.147 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740618890 LERFWXQDBLZULK-NSHGMRRFSA-N 444.557 2.454 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740627313 PGZBYLAVYNQLID-HUUCEWRRSA-N 436.500 2.071 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740628964 XJYOVURPSYCMAC-WOJBJXKFSA-N 428.558 2.389 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(Cc3ccncc3)n2CC(F)(F)F)n1 1740689434 WQKJTNCLFCRSCF-UHFFFAOYSA-N 433.438 2.309 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740738982 OGNGFYNAXYUGNU-KBPBESRZSA-N 446.346 2.188 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740754484 FVPQHRAWJXJUEM-QUCCMNQESA-N 445.589 2.316 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740789861 MEEFKBATPGZCEK-INIZCTEOSA-N 431.928 2.142 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn3ccc(C)cc3n2)CC1 1740818404 JFMZMFTZIIPXJF-MRXNPFEDSA-N 429.550 2.049 30 10 IEEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1740856820 XMEJMQNDDHDUDK-SFTDATJTSA-N 439.560 2.437 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740938148 ZMALCEJEZOXPHF-QZTJIDSGSA-N 434.562 2.435 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1741199819 RNIRZMQSHHZFMP-WMZOPIPTSA-N 428.512 2.079 30 10 IEEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1)OC 1743963234 GTVMDFIGHPYXCT-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748032885 OUHNDCHSKKWVCJ-ZHRRBRCNSA-N 439.470 2.209 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1748747054 BSUNNHHGTKYTKE-QGZVFWFLSA-N 431.500 2.207 30 10 IEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1748790411 YHYNKKFFVHEQQW-QWFCFKBJSA-N 443.573 2.108 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCOCC1 1748847180 PBZMICDDFAGGKS-HSZRJFAPSA-N 433.556 2.125 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1748912989 NMVHOLLMUSQMDC-NRFANRHFSA-N 443.939 2.329 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1748987134 QBWBKYATFJMJGN-NRFANRHFSA-N 444.587 2.401 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)CCCO2)CC1 1748999059 GXHRZTIIEIKCQU-QHCPKHFHSA-N 425.533 2.190 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C(F)(F)F)CC1 1749008601 FANALHMSHSHELT-UHFFFAOYSA-N 437.470 2.233 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1750180185 DXLKQDZOUNRHKV-INIZCTEOSA-N 427.486 2.087 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@H]2CO)CCO1 1750387154 RRJXUQHAKOYJDD-ZWKOTPCHSA-N 428.512 2.050 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1751261334 OQOCPHKDAAAPRY-FDPIWHGQSA-N 447.923 2.340 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@]3(CCOC3)O2)n1 1751837688 CRMIYLIIBHLKJQ-GTCCEBARSA-N 427.553 2.464 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1760190288 ZISHFOQKPPQOKP-FUHIMQAGSA-N 438.619 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC(C)C 1760197201 XUIUVDGYDDUEIT-UHFFFAOYSA-N 442.589 2.435 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(Cl)nc2)CC1 1760273511 WXELPOVGAWZHAL-QGZVFWFLSA-N 428.924 2.192 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(C(C)=O)CC1 1760277337 HLASHWNFZZCCBJ-UHFFFAOYSA-N 443.573 2.387 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1760318311 FMDIKFVBGSAFPU-VQTJNVASSA-N 435.532 2.259 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1760373776 BSRLXKRFDVHHKH-OLZOCXBDSA-N 444.945 2.050 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760387583 PXHYMAZUGWUMGU-JKSUJKDBSA-N 442.486 2.039 30 10 IEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760437465 DWIHBLXZGQYTRT-OAHLLOKOSA-N 435.550 2.376 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC(=O)N1 1760482600 ZPRQCGFUCAKYHV-AUSIDOKSSA-N 425.533 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ncccc2F)CC1 1760520469 OMPGOGSKLUNYEQ-UHFFFAOYSA-N 437.479 2.224 30 10 IEEE CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1763381300 VUAXBBQZRJEPMA-HSZRJFAPSA-N 432.532 2.018 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1769699224 SVHIHLKBHAIWGB-KRWDZBQOSA-N 448.955 2.304 30 10 IEEE Cn1nc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)cc1C(F)(F)F 1852368045 WNVYMNVHTCMDQR-MRXNPFEDSA-N 438.406 2.247 30 10 IEEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cccc(OC(F)(F)F)c2)C1=O 1854176390 WUIGRZOGQZXPQW-HZPDHXFCSA-N 425.407 2.045 30 10 IEEE C=CCN([C@H]1CCCCN(C(=O)COc2ccccc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1854352040 RYOYVDPYMSUPQV-ZWKOTPCHSA-N 433.936 2.345 30 10 IEEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)C2=O)c1 1854931523 YJBSXZUQHMTZJK-LJQANCHMSA-N 443.912 2.111 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862633050 DQVWLIZCUXKFDQ-GOSISDBHSA-N 442.380 2.254 30 10 IEEE O=C(NCc1cccnc1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933228 BMZLXKUTISYRSV-LJQANCHMSA-N 438.484 2.187 30 10 IEEE C#CCOc1cn(CCCOCCCC)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870559543 GOQLAQNXDQYYPS-UHFFFAOYSA-N 433.549 2.341 30 10 IEEE C=CCN(CC=C)c1nc(=NCCC(C)C)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632575 QHBUQBDDTHULFA-UHFFFAOYSA-N 435.532 2.321 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCB2OC(C)(C)C(C)(C)O2)[C@H]2CS(=O)(=O)C[C@H]21 1999363917 IOJJTMMVFPWWRQ-JKSUJKDBSA-N 444.403 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2044522822 PEJBUAXAHQJVOT-GOSISDBHSA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060641579 KXADGJVMPKKEBH-SMLCLMEVSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2064341247 FTQMTBCWADXVEO-INIZCTEOSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666405 XNPPVUBSVRYILM-GOEBONIOSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H]3CCO[C@@]3(C#N)C2)CCN(Cc2ccccc2)C1 2221951407 USPMHSMGCAEPKL-FOVJLYNBSA-N 440.544 2.297 30 10 IEEE Cc1cnc(ON2C[C@@H](NC(=O)OC(C)(C)C)CC2=O)c(B2OC(C)(C)C(C)(C)O2)c1 2224127523 KHOXTZVERNBGNF-AWEZNQCLSA-N 433.314 2.109 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(N)=O)Cc1ccccc1 2247816868 GVFVGIRIFPYCQT-UHFFFAOYSA-N 429.351 2.269 30 10 IEEE C[C@@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247881259 UYPROKJAWSDLNV-AWEZNQCLSA-N 440.371 2.177 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247904772 QGBOJUNNJFSMJU-OAHLLOKOSA-N 448.366 2.298 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247906546 OPMIPYATFHHIED-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255594671 DNNFLADBVMCNGD-AWEZNQCLSA-N 434.346 2.227 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255614946 NEKWPRBIJBFYFF-ZDUSSCGKSA-N 436.362 2.141 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255630180 GSXSKPKKTSXHRC-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1 2255633755 GYAGMSVFVXCTBH-UHFFFAOYSA-N 435.330 2.218 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2255854889 IJVQGVOABZCMTJ-KBPBESRZSA-N 431.342 2.299 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2255873346 JSPCLRHBIUMWRF-HNNXBMFYSA-N 435.330 2.088 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2256665685 NIRRFXKLGPVDRZ-AWEZNQCLSA-N 436.362 2.380 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256883544 XXRRGFPZRYVHBS-AAEUAGOBSA-N 431.239 2.413 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267100328 SNQRQAZWPJBVKM-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CCCC1(NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267179897 WPEMLAOICJCGGX-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CCn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185754 ZYWHQSOARMMBRS-OAHLLOKOSA-N 448.373 2.189 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1 2267229721 CQRICMAQGRRSNJ-ZWKOTPCHSA-N 446.353 2.316 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267503616 GNZUEUMFQLZUNE-CABCVRRESA-N 448.373 2.189 30 10 IEEE CCc1nn(C)c(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267508244 BMPSVHBFWSFYOH-UHFFFAOYSA-N 448.373 2.067 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268663173 IGVJTRQRPRJIMA-UHFFFAOYSA-N 446.353 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCCC#CBr)nn2)CC1 2271462328 QWWOFZJBWIOSAM-UHFFFAOYSA-N 426.315 2.326 30 10 IEEE C#Cc1cnn(C2CN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc3ccccc3)C2)c1 2317289247 QNGFCKMTPRHCJT-UHFFFAOYSA-N 437.544 2.275 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2319677248 MUTWDRUSQHCNQB-JLTOFOAXSA-N 442.337 2.391 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccncc2)/C1=C(/O)c1ccc(F)cc1 102543943 XYFCFBXEBIKJIW-GOBJLOIFSA-N 425.460 2.365 30 10 IEEE O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H](c2ccncc2)/C1=C(/O)c1ccc(Cl)cc1 102709600 ULXRTPPRKWAGNZ-HZASFTGDSA-N 432.885 2.344 30 10 IEEE Cc1cc(C)c(S(=O)(=O)/N=C2/C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c(C)c1 104491513 ZLUHDEVGSPPFHS-ODMPFRHRSA-N 442.537 2.157 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)NCCC/C(N)=N/O)cc1Br 155815544 JTFUIKKRSSFANP-UHFFFAOYSA-N 429.134 2.325 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCn2c(nnc2-c2cccnc2)C1 428840926 PHQGUWCCKXMQPJ-QGZVFWFLSA-N 431.500 2.500 30 10 IEEE CC(C)c1nnc2n1CCN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)[C@@H]2C 439285550 OUPXASJYGAEQEE-YLJYHZDGSA-N 439.539 2.326 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 441182287 JGBCZDIDTVGYHX-UHFFFAOYSA-N 440.884 2.007 30 10 IEEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 460327434 LRMACCLYDZYJEC-OAHLLOKOSA-N 443.573 2.057 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cn1 461302733 PVOQSLTZJDEYEN-UHFFFAOYSA-N 442.526 2.166 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)c1 462094529 VKZKFNVVWRCSGE-UHFFFAOYSA-N 431.456 2.137 30 10 IEEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)n1cnc(C#N)n1 467126238 PYTYXYBOXCNFSN-LLVKDONJSA-N 432.412 2.428 30 10 IEEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 475309840 YUEXJKMVXZERTD-FGZHOGPDSA-N 445.523 2.496 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)cc2)cc1 476796074 LBHSSBJVPUMXDN-OAQYLSRUSA-N 448.479 2.185 30 10 IEEE COc1ccccc1C[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481223218 ACHRYMNALBSZOD-QFBILLFUSA-N 427.526 2.467 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1C#N 489820856 WEBDDPNAAGNRHM-INIZCTEOSA-N 435.303 2.108 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 499055014 LGNUMPWPRKFRDE-UHFFFAOYSA-N 428.558 2.126 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 505187302 JXXFQNCEWMJBFV-UHFFFAOYSA-N 443.500 2.066 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cs1 513046481 LVYWXAAPVRUQLW-UHFFFAOYSA-N 436.562 2.008 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-] 523952246 WEGHHHWZPNKNJK-HXUWFJFHSA-N 448.483 2.123 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 531369605 SQCFQEJQXKEYFK-CYBMUJFWSA-N 427.551 2.140 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)n1 531652937 CEVDJONCDCCRGM-MRXNPFEDSA-N 441.553 2.001 30 10 IEEE CN1[C@H]2CC[C@H]1CC([C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(Cl)cc1)C2 548981808 LZXPTAXJFPKMEZ-VNTMZGSJSA-N 438.981 2.313 30 10 IEEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 550007466 QRRXDYPUVFTASS-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 550585126 OYSZKXZJQWHLDL-LJQANCHMSA-N 448.527 2.432 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3F)n2CC(C)C)CC1 555360934 IISVPRJOBAPIME-UHFFFAOYSA-N 430.528 2.076 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 588132112 DSSWMIOMRSMKTF-GAIHVZROSA-N 435.343 2.108 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1 608544694 NNTOIVIKKPIDFJ-HXUWFJFHSA-N 431.496 2.375 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 609189183 YGVSZOXYUUOWRJ-QAPCUYQASA-N 431.489 2.434 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1-c1ccccc1C#N 609739176 FIOADYZQICTEMP-UHFFFAOYSA-N 446.507 2.247 30 10 IEEE COCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1OC 611359015 BRNISKMXLDRKAY-CQSZACIVSA-N 443.504 2.359 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 670202438 NGEPPISAKNPJGY-RTBURBONSA-N 447.561 2.353 30 10 IEEE C=CCOCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 679495051 GLYNSXFTZOGRDK-CQSZACIVSA-N 431.352 2.169 30 10 IEEE CC(C)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224081 LIOUXPFZWKBMBV-SFHVURJKSA-N 434.562 2.461 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 740235535 HQJOXHWKFMCSEJ-FDFHNCONSA-N 448.475 2.080 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2csc(-c3ncccn3)n2)c1 749504141 AYPYKLIRDILUJA-UHFFFAOYSA-N 433.493 2.087 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 749519975 UEPFZXQQVAGDGL-WBVHZDCISA-N 449.573 2.330 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(CCSC)c2=O)cn1 751822684 ZISJMSSRVHNORK-UHFFFAOYSA-N 432.615 2.388 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 790132452 GGPPLQBAPMAEFZ-QHCPKHFHSA-N 435.565 2.430 30 10 IEEE N#CCC1(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N/CCc2ccccn2)CC1 797424743 BTXGKKBTUKESCG-ZURFJKDFSA-N 449.540 2.437 30 10 IEEE COc1ccc(C(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c2ccc(OC)cc2)cc1 798740743 BGDAAHSHJIKFFX-HNNXBMFYSA-N 449.467 2.177 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 805232882 QRKFWQSLAQPIBN-GFCCVEGCSA-N 431.395 2.397 30 10 IEEE C[C@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 914680243 UZGQSACLVWYOLV-LSDHHAIUSA-N 445.497 2.146 30 10 IEEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc32)CC1 915202781 LPRQSBIYUZGHJN-UHFFFAOYSA-N 431.374 2.161 30 10 IEEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc1 1084597874 VXRQYYXHSPQRSR-UHFFFAOYSA-N 425.518 2.163 30 10 IEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c(F)c1 1084606916 INXFLCBVOMTRBV-UHFFFAOYSA-N 431.501 2.394 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1130469388 LNPZBJJGLREWDA-LJQANCHMSA-N 426.414 2.441 30 10 IEEE Cc1cc(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)ncc1C#N 1134927713 NQSQYWHYQFQLGB-UHFFFAOYSA-N 425.493 2.179 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136822099 RYZALQLBCUTPNZ-ZDUSSCGKSA-N 425.482 2.252 30 10 IEEE COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n[nH]1 1153765559 LHGHUBODDYGZIO-UHFFFAOYSA-N 425.470 2.448 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1160127443 QHEOUMKRDFJOBZ-SOUVJXGZSA-N 447.960 2.366 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2COc3ccccc3[C@H]2O)C1 1160373864 CCTLKSNBZCXPTI-VQIMIIECSA-N 428.286 2.368 30 10 IEEE C=CCOc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1OC 1176228527 SLKIOAZVYFOUOX-UHFFFAOYSA-N 445.541 2.131 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)nn1 1193475996 PYDHWMQJQHJMFE-UHFFFAOYSA-N 447.286 2.021 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)C1 1225939356 YXDXMNQHYDBSAP-JYJNAYRXSA-N 449.552 2.444 30 10 IEEE Cc1ccc(CNC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1C#N 1248517422 MRTREYRFDZBHGY-UHFFFAOYSA-N 425.493 2.249 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccnc1 1271872285 KXQMHRWPIKCQOY-OAQYLSRUSA-N 429.498 2.367 30 10 IEEE CSC[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1279052982 KNXPCTRNPPIRLW-UXLLHSPISA-N 446.598 2.175 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)c1 1286311543 NMUVVCJCSMEFGY-OSPHWJPCSA-N 439.560 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(F)F 1286426444 VSEWFGGZMQHHNL-UHFFFAOYSA-N 440.454 2.284 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1286535856 TWNMEDKXBMDOAD-ZIAGYGMSSA-N 445.325 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCOCC2(CCC2)C1 1286819780 VPSBGZIQQQHJEB-UHFFFAOYSA-N 431.562 2.256 30 10 IEEE CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1288247637 DNAURZITVDGREF-IBGZPJMESA-N 440.548 2.408 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 1296968606 WICWDPIIQOXOLG-CKRJSAQMSA-N 447.580 2.379 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCC[C@H](S(C)(=O)=O)C3)C2)C1 1297175393 GUSHMWRKHDLEIE-NHUHVJRWSA-N 439.578 2.199 30 10 IEEE CN(C)CCN(C)CCCN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1298895356 HUNDXEVZUXUZAB-UHFFFAOYSA-N 436.398 2.099 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1300466062 TYHIPEPXFLMVGZ-PKOBYXMFSA-N 444.580 2.140 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1300487188 HPHCSFAPDNNZAH-LJQANCHMSA-N 428.558 2.473 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1300499016 OPLYJTLWEAWMRQ-QGZVFWFLSA-N 434.537 2.060 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300629014 KJYKWNRCCLUOOR-QGZVFWFLSA-N 435.981 2.263 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(CC)c2)CC1 1300701668 YTRUKQQYTCGBAF-UHFFFAOYSA-N 425.487 2.167 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](OCCOC)C1 1300751836 TVGQONGWUWNUCG-KRWDZBQOSA-N 430.530 2.282 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](C)C1 1300876251 RQTQCIKZFGMSTB-TVFCKZIOSA-N 425.599 2.496 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccccc1 1300883677 DMIDBIJFFUXITK-SBHAEUEKSA-N 425.533 2.209 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300893000 XLCMTGVNRJVIOR-NFBKMPQASA-N 444.624 2.202 30 10 IEEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1301381209 WBTYDZPEHLKHJL-OAQYLSRUSA-N 427.530 2.154 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(C)C)C1 1301497478 XUTPFMFHYLJFOV-MRXNPFEDSA-N 445.593 2.023 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301502370 GRRALZKBWZSEOB-GOSISDBHSA-N 428.585 2.294 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C(C)(C)C)s2)C1 1301566001 IOVJEBFROJFSOT-HNNXBMFYSA-N 445.593 2.379 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1302211416 ILMHIOCDLAJUPB-SFTDATJTSA-N 441.532 2.254 30 10 IEEE C=CCC1(O)CN(C(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)C1 1303534630 KTRZNHMAXUQNGE-HOTGVXAUSA-N 428.558 2.485 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1305743358 YNHDEJIPXIOENW-PGRDOPGGSA-N 430.553 2.275 30 10 IEEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CC[C@@](C)(C#N)C3)C2=O)cc1 1307950674 ZWPDVYJSYIBKOX-VWOYCULZSA-N 442.541 2.473 30 10 IEEE C#CC1(O)CN(C(=O)Nc2ccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)C1 1310234354 WSJMLBWNASTVHJ-GOSISDBHSA-N 443.500 2.455 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccc(Br)cc1 1312937143 NOXSMHBDIHPVJI-KRWDZBQOSA-N 442.317 2.149 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1313997282 UYLOSWWRLZSDAP-UHFFFAOYSA-N 433.463 2.298 30 10 IEEE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)cn1 1314658518 BXZXRYANHGCQHC-UHFFFAOYSA-N 444.543 2.418 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1314707217 NAVPOGMGWAGQCB-HKBQPEDESA-N 442.589 2.469 30 10 IEEE CNC(=O)CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C#N)C1 1315052504 MJVWNLXHHFFKCM-QGZVFWFLSA-N 446.939 2.116 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCCO2)C1 1321293757 WRKIDHOLQFSQOB-WOJBJXKFSA-N 436.520 2.271 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1358946624 CEEINNKWDIGEDP-UHFFFAOYSA-N 433.516 2.454 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358991242 SJBXEPYTZXIBDP-SFHVURJKSA-N 434.466 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCN(CC)CC1 1358992956 AZLNEBUOSGCHJF-VXKWHMMOSA-N 426.609 2.256 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1359160879 HZBPWXIHRCXGBL-HSZRJFAPSA-N 443.548 2.194 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN(C)CCOC)CC1 1359161772 PZRQWARHJMEZGR-UHFFFAOYSA-N 447.605 2.473 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(C)C)CC1 1359165156 IRFOFEWCVNURAJ-QGZVFWFLSA-N 443.639 2.157 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1359238151 AULQSVRAPBZVSM-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1359305517 FKYYLUAJXQGYQC-FQEVSTJZSA-N 436.560 2.155 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1359307857 WRZVGVNFWDUISL-SFHVURJKSA-N 433.516 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1359335173 CKUNYOVRMDXTIL-MRXNPFEDSA-N 447.586 2.271 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(C(F)(F)F)ccc3Br)C[C@H]1CS(=O)(=O)C2 1439794280 HKIGZSKAFQGMKX-IINYFYTJSA-N 437.237 2.478 30 10 IEEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1441014761 JNZKXPVMRLUCJL-CYBMUJFWSA-N 438.502 2.360 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCC3(OCCO)CCC(C(F)F)CC3)cc2C1=O 1472156667 KSZMQMBJUFWMFU-UHFFFAOYSA-N 436.455 2.401 30 10 IEEE Cc1cc(N2CC(n3cc(C#N)c(O)nc3=O)C2)nc(-c2ccc(Br)cc2)n1 1472833708 YEGVDHBIYUXSRG-UHFFFAOYSA-N 439.273 2.410 30 10 IEEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)nn1 1474336455 HVECJVSGPUHIQH-UHFFFAOYSA-N 426.546 2.217 30 10 IEEE CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1500943083 GJMQUVFQQWTSGD-UEXGIBASSA-N 434.610 2.042 30 10 IEEE CCN(C)C(=O)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1501437563 JMBWFZQXRLEJDA-OAGGEKHMSA-N 433.557 2.265 30 10 IEEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(F)(F)F 1503954240 IHEMOJOCZNTDRF-CZUORRHYSA-N 436.438 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1cc(CO)nn1 1507519654 IYQJMNSMSAGTEY-KRWDZBQOSA-N 430.516 2.434 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC(=O)NC(C)C)c1 1507548527 AHWQQYZEGUGADN-UHFFFAOYSA-N 447.543 2.255 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N(C)C 1507642337 SKDMDFUHUZXAJX-PGRDOPGGSA-N 427.574 2.367 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507726707 DFWJDBJHORLAHD-BGYRXZFFSA-N 442.633 2.185 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1507894739 KKVUHYICEPREKK-JOCHJYFZSA-N 445.951 2.415 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1508002320 DSHAXWDAEKXNGZ-WZONZLPQSA-N 425.533 2.133 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1508080455 BGULGPCRAFLYSP-FQEVSTJZSA-N 436.516 2.172 30 10 IEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(CC)Cc1cnn(C)c1 1508095751 SMZNJFVZKMRGIX-UHFFFAOYSA-N 432.532 2.343 30 10 IEEE CC(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CC1 1509582984 XPKAQUACWHEVAV-UHFFFAOYSA-N 439.545 2.313 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC(C)(C)C2)cs1 1511547270 SMXQIMRGCNZFHB-GOSISDBHSA-N 429.594 2.485 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccc(Br)cc2n1 1536179077 BBIXYELPIWYVCL-SGTLLEGYSA-N 434.315 2.316 30 10 IEEE C#CCCCCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1539086784 LWZVXHQVDIICEO-UTKZUKDTSA-N 430.509 2.003 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1539263272 CRFCCTZUNHYXGS-XZOQPEGZSA-N 446.599 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1cccc(OC)c1 1539284102 HMIOLILHLFRYCK-IBGZPJMESA-N 435.528 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCc2ccccc2C1 1539292059 ZIFRYLYTGATGDJ-UHFFFAOYSA-N 432.572 2.328 30 10 IEEE CNS(=O)(=O)Cc1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 1539432485 FBVVTGCALAJYRC-UHFFFAOYSA-N 428.514 2.033 30 10 IEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539574483 LLAGVPQRWLKQIG-DGCLKSJQSA-N 425.331 2.173 30 10 IEEE C=C(C)COCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1539759607 JALYUOTUIRFFIQ-HSZRJFAPSA-N 447.580 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)NCCNc3ccc(C#N)cn3)CCC2)C1 1540780182 RZKAXZCMYMVKFZ-HSZRJFAPSA-N 443.548 2.414 30 10 IEEE C=CCn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1540856748 KGOIKZMXKREUNJ-HZPDHXFCSA-N 444.536 2.220 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)C)CC1 1540872609 VCHALGQTWSFIGC-UHFFFAOYSA-N 426.565 2.100 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1540908146 QGSHHNLIPSUTOR-HRAATJIYSA-N 444.561 2.229 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)C1 1541031846 DMZHVLBGUMRHKU-OAQYLSRUSA-N 449.559 2.324 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1541117304 CVZKYQCZGNKNTA-INIZCTEOSA-N 433.520 2.120 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1541885586 AMSFXFSFXPNYMT-YCRPNKLZSA-N 449.531 2.003 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1548004558 AUUNKBWQISQVMN-MBOZVWFJSA-N 427.505 2.410 30 10 IEEE CCOCCOc1cc(C)ccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1548286790 DPSQHOURBCNJBV-IBGZPJMESA-N 449.515 2.236 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1555995792 DUNWUGVFOJYCMM-KRWDZBQOSA-N 426.496 2.481 30 10 IEEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cccc1N1C(=O)N[C@H](C)C1=O 1556871321 DKCCNKZPOIVVGE-GFCCVEGCSA-N 444.444 2.128 30 10 IEEE COc1ccc(CC[C@@]2(C)NC(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 1559339263 BMABFBHKMDBNPF-RUZDIDTESA-N 445.475 2.238 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)cc1 1565217484 DMOSIGDSDFPCHT-UHFFFAOYSA-N 432.528 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1587661960 KBIPVJKYTIDRBA-REWPJTCUSA-N 447.587 2.499 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CC(F)(F)CO2)c1 1587697131 KHGKLFLAHLSIQU-KRWDZBQOSA-N 433.459 2.295 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(C)O 1589197880 MRESPIHSJQCOOR-OAQYLSRUSA-N 430.578 2.391 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCNC(=O)C(C)C 1589558951 NDAIUJYRQSGBIP-CTNGQTDRSA-N 426.565 2.454 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593721972 IFZCNOOKXLCPCD-QHCPKHFHSA-N 438.532 2.352 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1594193662 SMGBZNUXJMTAMH-AUSIDOKSSA-N 433.597 2.442 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)CC1 1594202153 GAAVBDRFHYDZQR-QHCPKHFHSA-N 433.597 2.443 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1594962562 LRQYPYHYVQXXTH-GOSISDBHSA-N 432.569 2.471 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2ccco2)C1 1595570131 YIZRPGWKDQJZNT-FQEVSTJZSA-N 437.500 2.373 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCC(F)(F)F)C1 1595738153 LXIPBLMUUVFPJB-AWEZNQCLSA-N 444.483 2.094 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1596821398 COLBQLBELSTSBJ-OWCLPIDISA-N 430.475 2.379 30 10 IEEE CC(C)OCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1611045038 ISFDWYXKBVOITG-UHFFFAOYSA-N 433.520 2.143 30 10 IEEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1613296322 AJJJJCYYKLWNHA-IBGZPJMESA-N 448.579 2.452 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCC(F)(F)C(F)F 1614024339 BZSWGDOJCFYPHM-UHFFFAOYSA-N 441.433 2.351 30 10 IEEE CCN(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)c1ccco1 1615372527 DSZSFRZXHXSVKO-KZNAEPCWSA-N 448.593 2.452 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1)S(C)(=O)=O 1615619224 CESCRHKBTHFUIP-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE CCO[C@@H]1C[C@@](O)(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(C)C 1618766085 XHAQFSRTKWVFJG-YLJYHZDGSA-N 436.350 2.439 30 10 IEEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)c1 1619352751 MBWAJCUVLTWPAL-QGZVFWFLSA-N 432.475 2.412 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C[C@H](C)O1 1619737823 UCUZFPPPYIXJAO-YYWHXJBOSA-N 441.532 2.252 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CCOCC1 1620034270 CFQXNVUDYCOLEQ-HXUWFJFHSA-N 441.532 2.254 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(Br)cc1 1625078198 RUWJYEFSPTWXSO-SFHVURJKSA-N 449.326 2.421 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc4cccnc4c3O)C2=O)cc1 1630533175 WRRDRIPGPUXFSS-GOSISDBHSA-N 429.436 2.333 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)CC1 1635737597 RSXWHBVCBZIOLV-UHFFFAOYSA-N 426.786 2.138 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1641787476 HEFSMLGSJIWGBU-OAQYLSRUSA-N 434.496 2.198 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]2CCNC(=O)[C@@H]21 1650930727 GBUCSAWHGGXOEC-SUMWQHHRSA-N 436.306 2.225 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C(=O)OCC)([S@](C)=O)CC1 1654479993 UGXCUEITLJBVAL-OLRZCDJHSA-N 426.604 2.427 30 10 IEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCC#N)Cc2ccccn2)c(F)c1 1661404878 BIPLNQUAAODIPC-UHFFFAOYSA-N 440.522 2.477 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)C1 1669205911 WKSBNICENXABSQ-LJQANCHMSA-N 437.510 2.354 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C1CCOCC1 1670502029 DASKMBWAUPWEMC-INIZCTEOSA-N 442.324 2.246 30 10 IEEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)nn1 1672861190 PJHZILGSNFEZBR-UHFFFAOYSA-N 448.549 2.359 30 10 IEEE C=CC[C@H]1CCCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1675970036 ACJVJKVUWRICHP-IRXDYDNUSA-N 429.583 2.408 30 10 IEEE C#CCC1(O)CCN(C(=O)NCc2cccc(OCCN(C)C3CCOCC3)c2)CC1 1678146348 KWDOXCAFBAKNJR-UHFFFAOYSA-N 429.561 2.236 30 10 IEEE CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1Cc1ccccc1 1681226247 DFWMUDMFPGYDBM-XUVXKRRUSA-N 427.549 2.314 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)cc1 1683349716 BKAUMTKHWMRNJQ-UHFFFAOYSA-N 431.493 2.101 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(N)=O)cc1 1689860556 CLASBMCGIWDBBZ-AWEZNQCLSA-N 437.529 2.266 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1689867815 YETONDLABMYHHU-HOTGVXAUSA-N 439.582 2.243 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689982176 JAEATJYQLBDPCS-MRXNPFEDSA-N 443.554 2.085 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689992089 HFNKLDKQALKSLG-CQSZACIVSA-N 430.427 2.197 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)Cc1ccccc1 1690017931 OXLNSRZJRWRPAU-HXUWFJFHSA-N 426.542 2.208 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1690026694 IOVDPWJLQIVDHC-UHFFFAOYSA-N 425.496 2.311 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1690077726 VOFHYBVZDOXGIG-OAHLLOKOSA-N 447.565 2.254 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1690077917 ZNKFPAFPBPYUFX-ROUUACIJSA-N 433.578 2.316 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690179354 WISGQXANUSOBLR-UHFFFAOYSA-N 441.605 2.214 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 1690235879 FTWLXSCDMUQEQA-QUCCMNQESA-N 446.596 2.236 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1690271433 OVEXOQUYKNRLMX-UHFFFAOYSA-N 437.541 2.434 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 1690678966 GSKNFPUQPMOLQM-UHFFFAOYSA-N 433.516 2.020 30 10 IEEE Cc1coc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1693304173 BHRLWDCDENAVER-UHFFFAOYSA-N 440.529 2.157 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1694120533 GSUYPBNZCOKYEN-YSIASYRMSA-N 439.564 2.436 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H](OC)C(F)(F)F 1694740749 ZYFILUZVCPZEHX-ZFWWWQNUSA-N 438.458 2.185 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1694791046 FIZHAPZEGYZQFP-ROUUACIJSA-N 426.546 2.339 30 10 IEEE CCN1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695895594 NVYFNQUBQMOTKN-DENIHFKCSA-N 433.576 2.379 30 10 IEEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(F)c1 1697460295 CBRNGUVTHGGCJL-XMSQKQJNSA-N 445.495 2.243 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)C1 1698314965 AHKOZMZCDSLPDN-INIZCTEOSA-N 440.529 2.224 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564270 ACCUSMMTJJJZJY-SFHVURJKSA-N 444.605 2.164 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2Cc2cnn(C)c2C)n1 1705631917 SGILMCODJBBUID-UHFFFAOYSA-N 448.531 2.419 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705641313 ADKTURAVXPREEL-DHIUTWEWSA-N 437.588 2.260 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705660102 MTTQIVVVMHXZGN-RXVVDRJESA-N 444.649 2.291 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOCC1(C)C 1705678491 DEJVSMKYHWNAIC-SFYKDHMMSA-N 431.581 2.105 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705735691 DBKWGQRANKZJCP-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1705933969 XPJHDXRTDXOTGH-QGZVFWFLSA-N 440.953 2.051 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1706750954 CHJHWEURQCRFQU-HYFFOGBASA-N 447.584 2.155 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1707333755 YCDLFXDOXUGWIX-VXKWHMMOSA-N 426.496 2.394 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H](C)O1 1708176487 ZXDPMYDRSKOLCP-HZPDHXFCSA-N 429.546 2.255 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1709655189 XKELDTLOQLLNRB-LJQANCHMSA-N 447.547 2.126 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1710239552 GYRBWZVAMNJLIM-FQEVSTJZSA-N 442.589 2.314 30 10 IEEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1710705101 VCNCBBUUESMUEK-JOCHJYFZSA-N 426.521 2.470 30 10 IEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1711221530 AIKQNNNCJPBDHI-NRFANRHFSA-N 438.532 2.190 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1711444352 HZUZKEREZQREAO-KRWDZBQOSA-N 436.447 2.429 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccnc(-n2cccn2)c1 1712625069 RQPYNLYFSOFTGO-KPFFTGBYSA-N 436.520 2.227 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(F)F)C1 1712913209 XMVDXSRAZPWLLU-OOESYIKTSA-N 431.447 2.281 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cc(CO)nn1 1722347733 NSQUAJLGKZRXHI-UHFFFAOYSA-N 448.300 2.090 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCCC2)nc1 1722356946 NDEGLBSRBDVYCZ-UHFFFAOYSA-N 435.557 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCS(C)(=O)=O 1722379288 ZBOQCOBDWDGBTR-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1722410777 OOSQQWRECRVFNX-OAQYLSRUSA-N 436.560 2.212 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](OC)[C@H](C)CC)CC1 1722439664 KNIIUXILIOBTBR-TZIWHRDSSA-N 435.576 2.333 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(C)=O)CC1 1722625526 SRZVBNLTOBRGHS-UHFFFAOYSA-N 441.532 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1722695901 TZTHSQONSFZGLQ-HNNXBMFYSA-N 434.903 2.145 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC=CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723027310 SOSCUYUFLKNCLP-RSYVUFJRSA-N 440.548 2.489 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1728641533 HLEWYCXCXOOLGD-OAHLLOKOSA-N 446.577 2.249 30 10 IEEE CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729308749 BMTJEBCLVIJCHB-UHFFFAOYSA-N 439.539 2.436 30 10 IEEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1729474308 RDXUSFCQEJFWHV-JFWRZSAESA-N 444.536 2.051 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1730401401 ALRVTVUHCNKAEO-YLJYHZDGSA-N 430.940 2.490 30 10 IEEE COCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730438477 XTXBOSQKLYZONV-OAHLLOKOSA-N 426.521 2.380 30 10 IEEE CSCCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1731112593 MSDLSFAPWPFRAY-GOSISDBHSA-N 431.610 2.110 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCOCC1 1740602514 NXZIUNPUAYFJNR-UHFFFAOYSA-N 431.562 2.082 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1740613683 QJTASQVTXUCVDL-UHFFFAOYSA-N 443.511 2.078 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740622013 SAKITCPQUGGRGF-GOSISDBHSA-N 433.603 2.356 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1740627505 HXLDOPWFDXIPKR-LJQANCHMSA-N 446.573 2.001 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1740628616 ZDXBGRHYCFAIFF-FXAWDEMLSA-N 436.965 2.028 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCC(C(F)(F)F)CC1 1740629878 CHJAXRFPKDVMSV-FHERZECASA-N 445.511 2.330 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1740646820 DFNOSFLTXXRKBL-AVRDEDQJSA-N 438.528 2.477 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1740652928 RVBXUOFCEGZGAS-RTBURBONSA-N 444.539 2.328 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1740808729 VZQBVAFQMCEILS-UHFFFAOYSA-N 435.960 2.190 30 10 IEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740877682 IMVPQIQYVNQQED-HXUWFJFHSA-N 437.592 2.363 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740965792 SOJFKXRFWFGJMG-QFIPXVFZSA-N 440.573 2.040 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(N(C)C)nc2)CCOC1 1741723308 KJFFRDUOPNCZPS-FGZHOGPDSA-N 443.527 2.270 30 10 IEEE Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742768506 QQLJDCKKUOWQHB-FMQUCBEESA-N 437.460 2.190 30 10 IEEE CCOCc1nnc(N2CCC(C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747088525 AGTPVUSBVOUDIJ-MSUUIHNZSA-N 442.442 2.120 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)c1 1748693150 ZDPBKAJILPXVRA-QGZVFWFLSA-N 430.468 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)c(F)c1 1748824844 KCSJSSNFYVFOLE-UHFFFAOYSA-N 433.491 2.171 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2nncn2-c2ccccc2)CC1 1749001636 YHEVGRDNLZOMRA-UHFFFAOYSA-N 446.559 2.170 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(CC)(CC)OC)CC1 1749017001 SHTCOTLDFCTRIR-UHFFFAOYSA-N 438.576 2.435 30 10 IEEE C=C(Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1749246180 HPNYVYGLNQFQKL-UHFFFAOYSA-N 438.576 2.363 30 10 IEEE C=CCC(C)(C)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1749377430 VCLLCTILTAQEFS-STSQHVNTSA-N 431.581 2.495 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1749933097 JPFYYIXZPJZHLK-LJQANCHMSA-N 428.562 2.037 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752709600 MGNRMESMDNIYID-UGJKGHESSA-N 441.580 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)(F)F 1760104652 BZWNUSAMGXPQAT-LBPRGKRZSA-N 425.411 2.099 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760108761 KMWZSCLPJJZPCG-AZUAARDMSA-N 438.576 2.354 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1760121645 XIHXGNKAUHGLSU-YJBOKZPZSA-N 430.503 2.440 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760136850 LTUSABFYVOZJNV-HBMCJLEFSA-N 441.624 2.028 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1coc(-c2ccc(C)cc2)n1 1760163235 PPFLBHCKJSKKMD-MRXNPFEDSA-N 442.545 2.164 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1760170411 BLLXHMCAPDUCDO-UHFFFAOYSA-N 447.543 2.180 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1760180120 XNEMAFGZSBBOCQ-MSOLQXFVSA-N 432.569 2.140 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1760189028 FTHHQLDQSDUEIP-GOSISDBHSA-N 445.614 2.413 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1760234557 XYIFTFLMDQEMNT-CQSZACIVSA-N 427.452 2.102 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCOC)CC1 1760267312 JAXYLFHAFAFXMD-UHFFFAOYSA-N 425.533 2.346 30 10 IEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C(=O)NC)C1 1760276163 VNVIFVGWELEIOJ-SFHVURJKSA-N 425.514 2.009 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760309696 FEGOHVDFTFIFTG-HXUWFJFHSA-N 447.381 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760313401 NSZAKMKBSHTOBP-KURKYZTESA-N 430.553 2.149 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760466719 GIHXQLUUULBFKD-QFIPXVFZSA-N 448.589 2.461 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1760505332 RMUXJVJOVFORSS-GOSISDBHSA-N 436.553 2.472 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760532151 MBAMCFKOMZIUCI-IBGZPJMESA-N 438.576 2.333 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1765172687 IYNHINFLEWNJMK-PCCBWWKXSA-N 441.532 2.274 30 10 IEEE Cn1cc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)cn1 1769015331 FKJKGNCYGDMUKH-AWEZNQCLSA-N 428.294 2.218 30 10 IEEE COC[C@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1770786758 PKDAVSCJNVMTFM-JLTOFOAXSA-N 437.447 2.397 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1771187922 JXJWQXPBZPUXQY-XOBRGWDASA-N 434.447 2.222 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(Cl)nc2)cc1 1771533377 JLNVKNNYUXNKKU-UHFFFAOYSA-N 428.905 2.148 30 10 IEEE C#C[C@@H](NC(=O)NC1CCN(CC(=O)NCCC)CC1)c1ccc(Br)cc1 1772509777 LWLYEOBAOWQOBW-GOSISDBHSA-N 435.366 2.413 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1772887284 ITLBORHCJJPORC-ROUUACIJSA-N 428.562 2.381 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(N4CCN(C)C4=O)CC3)n[nH]2)c1C 1849762074 TZSJSDDVRUOZKR-UHFFFAOYSA-N 425.537 2.438 30 10 IEEE CCc1ccccc1-n1nnc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1C 1852897396 JHPQLWAPEJVKBR-UHFFFAOYSA-N 445.527 2.384 30 10 IEEE Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1853399581 LZBBWZLOUCWMJC-ZDUSSCGKSA-N 446.437 2.300 30 10 IEEE COc1cccc2c1OC[C@@H](C(=O)N1CCN(Cc3ccc(C#N)s3)[C@H](C)C1=O)C2 1857506144 LQJXNBMSFGESLZ-ZBFHGGJFSA-N 425.510 2.439 30 10 IEEE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C#N)c2)sc(C(=O)N(C)C)c1C 1860748668 GZNIJOXDGGXVBC-UHFFFAOYSA-N 428.470 2.384 30 10 IEEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1 1861540357 YNVUIBDGHVSVOH-RBUKOAKNSA-N 439.578 2.110 30 10 IEEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1867428169 XYGAIAANOPIHPV-QRWLVFNGSA-N 432.480 2.499 30 10 IEEE C=CCOc1cn(CCN2CCOCC2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870808960 IUUAGOJRQUGNJF-UHFFFAOYSA-N 429.517 2.375 30 10 IEEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871540356 SEGFOCMUBJHAGD-UHFFFAOYSA-N 436.347 2.492 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874292730 NWTXQACCUOHOGP-UFFVCSGVSA-N 442.457 2.234 30 10 IEEE COC(=O)CSc1nnc(CC(C)C)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874490325 KUCXAXBKFRZYQF-DJKKODMXSA-N 435.462 2.303 30 10 IEEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)c1 1892091541 WFBDBGPDEXPMIP-INIZCTEOSA-N 445.497 2.228 30 10 IEEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c1 1892091542 WFBDBGPDEXPMIP-MRXNPFEDSA-N 445.497 2.228 30 10 IEEE CC(C)(C)OC(=O)NCCCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900474020 BFSVVAVYHXJBBG-UHFFFAOYSA-N 425.360 2.477 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 1985008990 KXIAXQZXANAHEX-YHUYYLMFSA-N 427.542 2.236 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1988055350 NIQWZWZUEFHPSN-MELADBBJSA-N 427.498 2.035 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060640172 QQFSCLAVBWHCDH-DFFLPILJSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)(C1)C2 2086111933 DRFGPLKWOABLAD-WDJPJFJCSA-N 440.544 2.297 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2124539050 PTOHBUSHEYHRRR-OWCLPIDISA-N 444.341 2.360 30 10 IEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2255529010 HCBLQWLHETXJJQ-UHFFFAOYSA-N 449.342 2.442 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255615133 JNBRBVWDLQSVPR-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255619054 MIJJPPKAUYYNGE-HIFRSBDPSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255647963 GNDVHPOVKVEFOQ-UHFFFAOYSA-N 435.305 2.117 30 10 IEEE C[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]1NC(=O)C(F)(F)F 2255845475 BXTIRVPXFXUTNR-RYUDHWBXSA-N 430.232 2.108 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2255852193 AMHCNELWIQCPGP-JKSUJKDBSA-N 442.362 2.143 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267126248 ZOOUENZTNCONKU-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267127922 MLFIFTSPJPTFDB-GOSISDBHSA-N 438.381 2.313 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267136727 LXZDOSZLXOELKU-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@@H]21 2267144680 ZCVLRAQQYKUBGU-KBMXLJTQSA-N 446.357 2.227 30 10 IEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267181001 MBYBCDZPPKDNNG-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267506135 SOEQZYMTZFLMPU-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268648033 VBYOZVWLLJIBDI-NYHFZMIOSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)COC1 2268712352 RDCVDHXEEISIPE-UHFFFAOYSA-N 444.337 2.169 30 10 IEEE CO[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2268723009 MJHKYGYXGOVMAX-KRWDZBQOSA-N 447.341 2.201 30 10 IEEE C#CC1(N(C)C)CN(C(=O)c2cc(Br)ccc2I)C1 2274586827 GZLILZKWZTZGIG-UHFFFAOYSA-N 433.087 2.443 30 10 IEEE CC1([C@H]2CCCN(S(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282867497 ZVESNNQYSFSQKB-AWEZNQCLSA-N 443.396 2.211 30 10 IEEE C=CC[C@]1(CO)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2287700402 UMGJFYDORVWIIC-NHCUHLMSSA-N 438.521 2.134 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)cc1 28665695 CCWAHVNLLTYVFW-HZPDHXFCSA-N 444.509 2.029 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(Cl)c3)n[nH]2)cn1 59886600 JWIOGJUSQGVXQL-UFWORHAWSA-N 434.913 2.478 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)ccc1Br 409941514 KBEHAJHNQHNRBV-WFASDCNBSA-N 431.294 2.094 30 10 IEEE COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3c(-c4ccccc4C)noc3=O)CC2)cc1 444401808 CPLTXSOBFTZQCE-NRFANRHFSA-N 447.495 2.229 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 465283540 HBPBCILSQIGDJC-CABCVRRESA-N 427.459 2.125 30 10 IEEE N#Cc1ccc(OC2CCN(CC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)CC2)cc1 472660057 MYDDUWARQNKAGN-UHFFFAOYSA-N 448.932 2.341 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)Nc3cc(C#N)ccn3)c2c1 477397550 IOSLILWKFGXCEK-UHFFFAOYSA-N 425.470 2.490 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2sccc2OC)c1=O 480939450 SBLADKRYVPJZPU-UHFFFAOYSA-N 426.519 2.394 30 10 IEEE N#Cc1cc(C(=O)NCCCCN(CC(F)(F)F)C(=O)c2ccnc(C#N)c2)ccn1 484273517 UFFMBUSPDFRMQC-UHFFFAOYSA-N 430.390 2.435 30 10 IEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(CCC(=O)N(C)C)CC1 508478929 VIOUFKLFFYTFFM-UHFFFAOYSA-N 426.565 2.206 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccc3C)c2=O)cn1 524022830 AVFLJDJAMXQQBB-UHFFFAOYSA-N 431.517 2.483 30 10 IEEE COc1cccc([C@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C2CC2)c1 537356972 MSGZNIOGHFFNBK-GGAORHGYSA-N 445.523 2.363 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546169914 SJDAVNJUHDSPKE-UHFFFAOYSA-N 441.557 2.255 30 10 IEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 546875239 WNTPCVNNCKKLJZ-OAHLLOKOSA-N 439.903 2.317 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 555171141 UMWXGGUALKTLOT-ZBFHGGJFSA-N 441.509 2.115 30 10 IEEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 566990613 QJWIBUUKKXHXBK-IBGZPJMESA-N 442.541 2.425 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 579379510 VUXDWSOBZPTBFH-UHFFFAOYSA-N 439.520 2.174 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CC1 605409574 NDOXLRBGQFKKPO-UHFFFAOYSA-N 441.576 2.319 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 609986627 OPKYKUMJJUDUHA-UHFFFAOYSA-N 445.444 2.237 30 10 IEEE Cn1cc(C#N)c(NC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 610562193 KLEAZMSPFSXMSS-UHFFFAOYSA-N 435.410 2.099 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1-c1ccc(F)c(Cl)c1 731287828 IUVIGDLVTLEDCJ-UHFFFAOYSA-N 433.852 2.500 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 732423773 AMOUTJRWRRBUSW-FMQUCBEESA-N 425.489 2.351 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCN1C1CC1 732708858 WEESFZKTAFZLHA-ZDUSSCGKSA-N 430.814 2.418 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCSC)c2=O)cn1 751831503 MEZIFLJQPFTWNQ-UHFFFAOYSA-N 438.578 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 754438894 RDIUFWXUVQQGJG-FDDCHVKYSA-N 426.517 2.422 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCCN(c4cc(C)nn4C)C3)ccc2c1=O 769287815 UIFJAKNZGKVQFZ-INIZCTEOSA-N 438.557 2.312 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 780633296 XDNFQRTZLFFLHG-UHFFFAOYSA-N 426.454 2.071 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCCO2)c1=O 781648726 JVKZHUFDACIJND-OAHLLOKOSA-N 429.567 2.116 30 10 IEEE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 786660128 AADISWULXRRXSP-HSZRJFAPSA-N 428.533 2.233 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 792555423 NYKYVXRXEBFHPD-UHFFFAOYSA-N 443.491 2.133 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 793739072 ZKNWTEMGJLQGRJ-LPHOPBHVSA-N 441.532 2.321 30 10 IEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 805258359 KSBXWLXEFSNQMS-YOEHRIQHSA-N 436.534 2.006 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812387077 IKQVTLASTWLRGG-MJGOQNOKSA-N 448.976 2.186 30 10 IEEE CSc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2O)n1N 1084125145 MTALBEDXBGUYIX-UHFFFAOYSA-N 445.530 2.302 30 10 IEEE C#CCN(C(=O)c1cnn2c(=O)cc[nH]c12)[C@@H]1CCOc2ccc(Br)cc21 1136805096 SQYIFMFAQMDQLO-OAHLLOKOSA-N 427.258 2.384 30 10 IEEE C=CCn1c(SCC(=O)NC[C@](C)(O)C(=O)OCC)nnc1-c1ccc(Cl)cc1 1138071404 QUGWYSBZNZXOMP-IBGZPJMESA-N 438.937 2.307 30 10 IEEE C=CC1(CC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1142041178 LBHNNNJMUQIEGI-LJQANCHMSA-N 446.470 2.490 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 1150366187 GEOOPMBVULBJAP-HKBOAZHASA-N 429.561 2.292 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1164154846 APBFSSBDPMVXRV-UHFFFAOYSA-N 440.569 2.316 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](n2ccnn2)CC1 1168445038 KWJSABRNDRKBBX-AEFFLSMTSA-N 444.561 2.129 30 10 IEEE C#C[C@@H](NC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)c1ccc(Br)cc1 1230499124 QZUIJLLXZSPXCL-QFBILLFUSA-N 447.377 2.462 30 10 IEEE C[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)c1ccc(-c2cccc(C#N)c2)cc1 1233981003 BJPDEIMFCCXCGC-KKSFZXQISA-N 427.526 2.477 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1286336728 WGKAPZIJGMVEFS-UHFFFAOYSA-N 436.560 2.258 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)N1CCOCC1 1286348230 HNWDFPHQBDTZBI-UHFFFAOYSA-N 434.500 2.309 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286388269 MSXJOKYQWAPNBS-MJGOQNOKSA-N 445.589 2.205 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCSCC#C)CC1 1286490135 MCAVDDPFTJVQKG-UHFFFAOYSA-N 437.569 2.286 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286505032 URWLBKLROUPDDL-CVEARBPZSA-N 448.593 2.089 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1ccco1 1286787615 XJPINISDPDDVAC-HNNXBMFYSA-N 447.499 2.285 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1286832153 PLQZGCNBLQJGJT-KRWDZBQOSA-N 443.639 2.299 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1Cc1ccc(C#N)o1 1288108109 SYHAPFBNNCDIMX-QFIPXVFZSA-N 438.463 2.166 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1295174083 CCZDEDBALKVXMO-MOPGFXCFSA-N 429.546 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCc2ncnc(O)c2C1 1296619676 BIGMYGIQFGEDLR-LJQANCHMSA-N 435.484 2.473 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1298066893 ICABZCZZBGGNPY-GOSISDBHSA-N 430.578 2.028 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1300303986 LTDVLOMOVBLMOF-OAHLLOKOSA-N 433.516 2.358 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300485799 YSWNCOHNGXJDCZ-MDYRTPRTSA-N 436.603 2.388 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300489389 NFXNRNPUEVQQMK-JLMWRMLUSA-N 430.574 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)C(C)(C)C 1300520412 JHSBUHWBOJIBQF-UHFFFAOYSA-N 444.557 2.248 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCCCC1 1300521481 XVUOUWVDLVDBGY-HXUWFJFHSA-N 443.559 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(OC)CCC1 1300528246 SXPBYLNEEBUBKE-UHFFFAOYSA-N 430.512 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CCC1 1300590741 GDRWOCFHFYEKTG-PMERELPUSA-N 443.598 2.034 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCOC2)C1 1300743009 DSOAJGSZTBOATE-NRFANRHFSA-N 446.598 2.332 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1300754926 IESREOITWREKMS-KRWDZBQOSA-N 429.594 2.176 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1300805998 NIMUWHAHFMNQGN-LAUBAEHRSA-N 435.594 2.039 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1300824336 RYVWIOVOINFTGP-CQSZACIVSA-N 441.374 2.066 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCCn2cc(CO)nn2)CC1 1301096106 XJGDPZDJXGEILW-UHFFFAOYSA-N 439.520 2.196 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1301222104 RZGABVBOMUCYLI-LJQANCHMSA-N 449.621 2.375 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1301399422 MTFULGQYCVMICR-JOCHJYFZSA-N 441.557 2.058 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1302225561 UXOQMUBIFZXEDF-YZZKKUAISA-N 441.532 2.252 30 10 IEEE CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(CC#N)CCC(=O)OC)cc2)cc1 1302619187 YSCQIYFQZKNHCK-UHFFFAOYSA-N 445.497 2.415 30 10 IEEE Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1304072948 CPDQCIXLPCXFIG-UHFFFAOYSA-N 442.570 2.305 30 10 IEEE CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@@](C)(C#N)C1 1304192904 JXNRELUSYPBAFI-YJBOKZPZSA-N 440.363 2.442 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)CC1 1308092199 FZKIGZHILVOYNG-GOSISDBHSA-N 444.551 2.107 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 1309228044 XYRGVUFYHBRKPB-GOSISDBHSA-N 430.526 2.408 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1312864518 FMRJKYYNRASMOX-UHFFFAOYSA-N 436.431 2.195 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1316475089 OKCXZDYRDKUAEU-KRWDZBQOSA-N 448.618 2.335 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(C)cc(C#N)cc3C)CC2)cc1 1351252135 QNAXXOQVGIDKAV-UHFFFAOYSA-N 427.526 2.259 30 10 IEEE CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c1C#N 1355837050 MEDKHTWDTBLWQO-MOPGFXCFSA-N 448.508 2.398 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC(C)(C)O)c1 1358903105 LFPJBOAXKSSGKB-UHFFFAOYSA-N 432.528 2.481 30 10 IEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1358930333 STLVKPXVOILECA-ROUUACIJSA-N 433.553 2.473 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1358949361 ZNFLUDVUNSLWBY-KRWDZBQOSA-N 429.546 2.014 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(CC)nn(C)c1OC 1359020813 QUOULOOZKGWNRM-UHFFFAOYSA-N 433.516 2.256 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1359022717 KUTLRBXTMROIHY-FQEVSTJZSA-N 425.512 2.207 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1359082229 CJKACADJOMPPMT-AWEZNQCLSA-N 434.342 2.255 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCCOC)CC1 1359103202 LQSVITPSNQMPGT-XMSQKQJNSA-N 447.580 2.014 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)Cc1ccccc1 1359230485 VNEIHWFOFXCUDM-UHFFFAOYSA-N 431.562 2.141 30 10 IEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1359247086 RWWUTMFLBHKMIW-NRFANRHFSA-N 438.594 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1359298227 RQJXPAVARCXJRQ-FQEVSTJZSA-N 446.559 2.138 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359341883 JQRSTLNWCFABIZ-LSDHHAIUSA-N 447.565 2.233 30 10 IEEE C#CCN(C(=O)Cn1cc(C(=O)OC)cn1)[C@@H]1CCOc2ccc(Br)cc21 1360310203 CCRBUYNGWMPBOM-MRXNPFEDSA-N 432.274 2.418 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C#N)c(OC)c3)CC2)cc1 1435642534 YYIFTRVYFACLOV-UHFFFAOYSA-N 429.498 2.112 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1449530575 VKXLIJVRYKANCK-ARFHVFGLSA-N 427.542 2.332 30 10 IEEE C=CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1OC 1455641473 RGZHXAZWYACJRL-OAQYLSRUSA-N 437.540 2.375 30 10 IEEE COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C[C@H](O)CC1(C#N)CCOCC1 1460167418 GHEHADPWKFZOLE-QAPCUYQASA-N 437.334 2.420 30 10 IEEE C=CC(C)(C)CCNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1461785975 NUSZZMYDUFMAFE-UHFFFAOYSA-N 435.546 2.488 30 10 IEEE CN(C)CCSc1nc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1 1466735861 FONWWVRTIFSRHL-HIFRSBDPSA-N 439.607 2.215 30 10 IEEE C#C[C@@H](NC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1)c1ccccc1 1468549318 OIRDRNVMRAEXLT-RUZDIDTESA-N 448.567 2.446 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)n1 1492498669 NTOBTJNOVVODIW-UHFFFAOYSA-N 439.545 2.096 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1504997459 DMMQGFHGKPXQLR-RHSMWYFYSA-N 437.447 2.381 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@@]1(OCC)CCOC1 1507576824 ZWDZSJJQQABMSM-XMSQKQJNSA-N 433.553 2.449 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)NC(C)C)cc1 1507677652 FJYKUJJHLZSKTF-UHFFFAOYSA-N 425.537 2.454 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)C(C)(C)C 1507714129 ITZRHKAHWFQNFM-QZTJIDSGSA-N 433.597 2.445 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCn2cncn2)CC1 1507726167 GIUXIUZHWRFYHV-UHFFFAOYSA-N 448.575 2.336 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507808710 HMWSFJGMWWPDDU-UNMCSNQZSA-N 443.596 2.242 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCCCO1 1508080796 QUSOXQIGTCEIQU-HXUWFJFHSA-N 435.532 2.438 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508091045 JXDSQADJUIPWTQ-QUCCMNQESA-N 443.548 2.016 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1508097691 JXTAQZTWQBKWHD-HXUWFJFHSA-N 435.532 2.313 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1508131557 LZZQMXDIKUXXIA-REWPJTCUSA-N 439.516 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508139395 GEUBGNMIVIUNON-SFHVURJKSA-N 445.589 2.381 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 1508145203 KMFLMAKJVPUJTD-UHFFFAOYSA-N 428.599 2.303 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCCC2=O)cc1 1508420414 BAXWNVLZXBGXQB-KRWDZBQOSA-N 432.532 2.445 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1508424613 UCXPQQHETVCTJJ-INIZCTEOSA-N 436.520 2.191 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C(C)C)N1CCOCC1 1508969662 PXDLOTHKABIUDJ-HXUWFJFHSA-N 439.564 2.293 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1509225828 HXOPCLYDNYRQJI-GOSISDBHSA-N 428.512 2.229 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2cccs2)cs1 1511544578 AKVLKPZCRWIYLO-DNVCBOLYSA-N 430.559 2.332 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517887443 OQTSJOXWRZTJNJ-QFHABUONSA-N 436.516 2.477 30 10 IEEE COCCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(C#N)CC1 1519049164 IRUIUINWVPGHEO-UHFFFAOYSA-N 428.585 2.238 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC(=O)Nc1c(C)cccc1C 1519164242 HYQRGSKARCFOCE-SFHVURJKSA-N 426.521 2.404 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCOCC(F)F)cc1 1521095148 IQLSFFMQOSCBIE-CVEARBPZSA-N 432.431 2.033 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCN3C(=O)COC)ccc1F 1521538642 FPAQUXZWYNUVGG-UHFFFAOYSA-N 447.488 2.078 30 10 IEEE CCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](CC)C(=O)OCC 1522512403 GQTQELIWQOCCMJ-QZTJIDSGSA-N 428.489 2.344 30 10 IEEE CN(CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1525762652 SINWZFFQGOULLP-LJQANCHMSA-N 428.470 2.281 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539140289 SJCYARMQXAWXPY-FQEVSTJZSA-N 439.560 2.438 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539220681 UUNMVGIUZYVGFV-UGKGYDQZSA-N 448.564 2.042 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1539237540 FXIGHVXMGYWELR-YKSBVNFPSA-N 436.560 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NCc1ccccc1 1539333330 APGHBQYEJQRKNF-UHFFFAOYSA-N 443.555 2.309 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC=CCO1 1539346762 IFTFPSWSSKNUJI-QGZVFWFLSA-N 428.562 2.351 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)N2CCCC2)CC1 1539489244 JODZHHLBFOIPQY-NHCUHLMSSA-N 442.608 2.216 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1539743164 XNQDOJYLXJQNJH-UHFFFAOYSA-N 442.545 2.368 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540875471 NESDCNYXLRCTGA-CVEARBPZSA-N 431.562 2.088 30 10 IEEE Cc1ncsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1542067308 FPCZDBLJXWJNJY-QGZVFWFLSA-N 442.570 2.448 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1nccc(C(F)(F)F)n1 1543249666 WSEMJQQXLNOQCU-UHFFFAOYSA-N 430.394 2.173 30 10 IEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)s1 1546401378 FYFNLNDXUQTCIN-INIZCTEOSA-N 425.518 2.131 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)COc3ccccc3)[C@@H](C(N)=O)C2)cc1C(F)(F)F 1548368009 FXMQJFMKUAIJAS-GOSISDBHSA-N 432.402 2.159 30 10 IEEE COCCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(N)=O 1548377470 MKOYBDVFURZUPX-QGZVFWFLSA-N 438.450 2.144 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1554787617 FWPUUUHCPFVNNP-MRXNPFEDSA-N 445.545 2.137 30 10 IEEE Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806715 YXUFDXHEMSZEDC-UHFFFAOYSA-N 445.357 2.500 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN(CC#N)C1 1558940312 PFMSIVFBQYBVKT-RTWAWAEBSA-N 443.592 2.363 30 10 IEEE C=CCC1(O)CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1560155093 AUSAXGIMVBYUHZ-AWEZNQCLSA-N 429.970 2.320 30 10 IEEE C#CCSCC(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1585203826 UAZBRFYAYJSUQW-UHFFFAOYSA-N 434.377 2.197 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1585925305 RGPYYQIXSZIAPH-AOMKIAJQSA-N 426.473 2.299 30 10 IEEE C=CC1(CC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1586520421 XYTLEZDJCNBDCX-INIZCTEOSA-N 441.569 2.486 30 10 IEEE C#CC[C@@H](COC)NC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 1587392894 WCQDLNAJMBDQFN-KRWDZBQOSA-N 426.542 2.115 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[S@](=O)CC)c1 1587690095 ZFCRXAPJGUWKFR-WJOKGBTCSA-N 438.557 2.108 30 10 IEEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1587834766 GEOSRIXWXVTAHP-UHFFFAOYSA-N 446.349 2.416 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1587964119 AFJXSUPWMLCVKH-AZUAARDMSA-N 440.475 2.276 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064130 BGIAPSPALLNLGA-IEBWSBKVSA-N 428.558 2.325 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1C 1588276036 FZRYMATVZNCCAB-UHFFFAOYSA-N 440.577 2.096 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C(C)C)N1CCOCC1 1588445467 MNEITNHQPOERGR-SFHVURJKSA-N 444.605 2.086 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccnc2)CC1 1588763343 VOBYJDHHBPGKOU-UHFFFAOYSA-N 440.349 2.429 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(F)CCC2)CC1 1588864581 GPWQJWRSGWQGDB-UHFFFAOYSA-N 430.553 2.307 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCC(=O)N(C)C)CC1 1588865400 WWLNBGBVKNSRCF-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1)c1ccccc1 1594534491 LJPJQLAPDGQHAP-SJLPKXTDSA-N 433.578 2.473 30 10 IEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594797941 JQHUZMAAXMJUIF-HXUWFJFHSA-N 436.516 2.037 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1594811966 AWPNNKRXZROHRE-LJQANCHMSA-N 432.569 2.103 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1595076171 WEFKUPYUVDRLLI-AUSIDOKSSA-N 441.532 2.236 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)cc1 1616420028 XGZMGEFRLMOVIQ-UZLBHIALSA-N 442.520 2.072 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1616470044 WIYJLAAJDRPTOU-OAHLLOKOSA-N 436.472 2.080 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1 1618896680 NBUIHXWBIHKMJV-UHFFFAOYSA-N 427.852 2.395 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 1622324861 CKCYRFQDRJMWSU-UHFFFAOYSA-N 444.937 2.016 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)=NO2)C1 1626888415 DELGIFBIRRJHFS-UHFFFAOYSA-N 442.472 2.470 30 10 IEEE C=CC1(CC(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1627830753 CDXRUWOFXMXBQB-SSEXGKCCSA-N 442.578 2.102 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cccc(Br)c3[nH]2)cc1 1634235595 XWVQMKIHYJEXRA-UHFFFAOYSA-N 433.287 2.489 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(F)F 1635701915 WXYVREUJZITADA-IXDOHACOSA-N 448.470 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CCC2)C1 1637929496 YGVKNQNGAUTPOC-QGZVFWFLSA-N 442.516 2.085 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1 1638408692 KTCGAAKZBIQHCD-GOSISDBHSA-N 445.516 2.010 30 10 IEEE CN(C)Cc1csc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1638619396 YBAPIMQNLUEBLI-UHFFFAOYSA-N 435.575 2.442 30 10 IEEE N#Cc1cccc(OCc2cccc(C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@H]43)c2)c1 1638771196 AMUOJBFGERDICP-RTWAWAEBSA-N 426.494 2.165 30 10 IEEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C1CCN(C)CC1 1639165399 YKBKEWFUHTVLDQ-UHFFFAOYSA-N 425.554 2.335 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCc1cc(F)c(C#N)c(F)c1 1639271730 XJHZGKOZXDIHCK-JUTNTEDWSA-N 441.356 2.438 30 10 IEEE C[C@]1(C#N)CN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 1639633177 ARSAEQWDBLUNLU-HNNXBMFYSA-N 439.843 2.168 30 10 IEEE CC1(C)OC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)O1 1651254025 ZCJBHRUJBYCLTQ-TZIWHRDSSA-N 428.510 2.482 30 10 IEEE C#CCN(CC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1)C(=O)OC(C)(C)C 1654379890 KYWYKOPXBJUVFK-AWEZNQCLSA-N 449.479 2.316 30 10 IEEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C[C@@H](O)CC3(C#N)CCOCC3)C2)cn1 1659839974 IZWZRJIABXOUFX-HBFSDRIKSA-N 432.565 2.239 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)CC1 1663203043 YNEXUTYZUXVCGH-UHFFFAOYSA-N 435.683 2.098 30 10 IEEE C=CCc1cc(CNC(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1677641373 MPGCTXHVEIQXHE-UHFFFAOYSA-N 435.521 2.213 30 10 IEEE COC(=O)c1ccc2c(c1)OCCN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1682228228 ZYALYSUKCKBFJB-HXUWFJFHSA-N 448.479 2.050 30 10 IEEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1=O 1687389451 USTHDBGKRXXOIE-LJQANCHMSA-N 442.516 2.054 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1689866805 KXBPNGLYCCVVAA-RCCFBDPRSA-N 439.626 2.326 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1690041922 NUIBLPMGUKWKAI-OAQYLSRUSA-N 434.588 2.443 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690722314 FBVAKUNOALIFBR-KRWDZBQOSA-N 432.594 2.185 30 10 IEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690740161 LCSABDVAKOWZSB-INIZCTEOSA-N 436.607 2.025 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccccn2)C1=O 1696874403 JBNWJRYKFDYBTA-QHCPKHFHSA-N 431.500 2.238 30 10 IEEE COCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1698017773 PZYZEXKOHVXLFZ-XDOYNYLZSA-N 449.515 2.046 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CC)C1 1705479738 OHNFGZMTOMJSFM-AEFFLSMTSA-N 443.621 2.346 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705532629 PNMVNQSJTGZASY-MSOLQXFVSA-N 444.580 2.473 30 10 IEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705563044 POFNFCHDIFOJSS-FUHWJXTLSA-N 439.541 2.155 30 10 IEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705568581 QPBAXOXNZAWJNK-MOPGFXCFSA-N 446.573 2.136 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705576028 DHCVDOAKBKBBDE-OAHLLOKOSA-N 449.939 2.092 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705609897 VKESSDHVOCXLJZ-GOSISDBHSA-N 432.528 2.448 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](OC)C1 1705895536 KARPFNVIXSFVGL-ZDUSSCGKSA-N 438.301 2.374 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C)o1 1705930230 IXFPFVNPIUSGTF-UHFFFAOYSA-N 444.517 2.064 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1709829910 GIXKNUSLSNUDQN-HXOBKFHXSA-N 438.532 2.117 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(C(F)(F)F)c2)C1 1712877168 CORQEIJZEHVLRH-GOSISDBHSA-N 437.401 2.305 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@]2(O)CCOC2)c1 1722307105 JFTLWFIDIHYWOD-DEOSSOPVSA-N 437.544 2.218 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC1CCCCC1 1722341772 DKIHUKDNPVAFHB-UHFFFAOYSA-N 442.951 2.380 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1722445892 DQAOUALVTIUEQN-LEWJYISDSA-N 436.560 2.367 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722459674 OXHPIWRDQXACJO-HOTGVXAUSA-N 444.573 2.418 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@H](C)O[C@@H](C)C1 1722681593 NLBSMCJZLPKIOS-XYJFISCASA-N 426.583 2.023 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722687963 YCJMHTAABCUVLC-UHFFFAOYSA-N 429.546 2.029 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722689517 UVWRXUVDHWGCHL-QRVBRYPASA-N 438.532 2.057 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCC(N)=O)CC1 1722693345 KSPSQBYBRBIJCQ-UHFFFAOYSA-N 430.940 2.383 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCC(CC#N)CC2)CC1 1722797343 UNNMXFHTGQOJBT-UHFFFAOYSA-N 441.605 2.225 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1723780190 OCIGLIBDBDHBIY-WMZOPIPTSA-N 433.507 2.358 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740619451 IUZCOURETFZENN-AZUAARDMSA-N 427.574 2.056 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCSC2)n1 1740688999 NNIJWAWXTKLIGD-IEBWSBKVSA-N 430.578 2.365 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1740693913 QOYIVVPAOJVTMR-JOCHJYFZSA-N 449.647 2.282 30 10 IEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C(=O)NCC)CC1 1740695441 RIOIRORLLBJVFN-UHFFFAOYSA-N 433.560 2.344 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2F)CC1 1740706844 FVNRDGKJJUATIH-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740718362 MYJNFBYVBNTFMW-CVEARBPZSA-N 432.550 2.233 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740730637 DVNRLBYCEZLMAS-MBOZVWFJSA-N 441.498 2.427 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1740791919 BPZVFPYHLIGXHE-FQEVSTJZSA-N 441.532 2.475 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1740851043 OXRHHEAUJUTQBO-SFHVURJKSA-N 437.610 2.135 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1740978577 YCARFTDOUVISPB-SFHVURJKSA-N 432.546 2.312 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1740991740 COOMZHURGBGTHH-UHFFFAOYSA-N 439.626 2.353 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748647888 UPSOQPUKKJQVHU-MHECFPHRSA-N 439.560 2.333 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1748665613 SPWKRFJTQJGPRE-RTBURBONSA-N 431.544 2.462 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749047405 VIEVVNGXXOLYTF-MJGOQNOKSA-N 441.557 2.467 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(N)=O)CC1 1749115775 VXVPZQGHHYKDQZ-YLJYHZDGSA-N 446.596 2.270 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCSC1 1749498807 JJOJIFOBDPJKAH-HSZRJFAPSA-N 442.633 2.133 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1751262689 RNGQSBFPNDIFQN-QFBILLFUSA-N 448.955 2.378 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCN3CCCCC3)CC2)c1C#N 1751827272 GQDPHLXSBWGMGT-UHFFFAOYSA-N 439.612 2.302 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760133713 NPQCNJRHBKZZKI-GOSISDBHSA-N 434.504 2.114 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760162361 RIGIFNMMYWPCFC-NNWRFLSQSA-N 442.608 2.312 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1760186304 BNEPIDDJYFDPFG-IBGZPJMESA-N 430.578 2.158 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1760191895 AXUFYDZARZSDEK-IAGOWNOFSA-N 426.608 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCN(C)C1 1760212189 ULVUCSAHIHIPMR-QFIPXVFZSA-N 429.471 2.076 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1760238449 WEZRBGYLBHSOHV-UHFFFAOYSA-N 429.908 2.333 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC(F)(F)CO1 1760249310 JGCLUKTVWITARM-MAUKXSAKSA-N 434.443 2.301 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@@H]2C)CC1 1760265723 HWNPZFZAPPBNLW-CMKODMSKSA-N 431.581 2.404 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNC(C)=O)CC1 1760277162 CGQXASRRYKWAKD-UHFFFAOYSA-N 441.557 2.393 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760358432 VZZQEYFRCXUWON-TZIWHRDSSA-N 446.640 2.448 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760451180 BIGPKXAPSCIEFV-BGYRXZFFSA-N 432.613 2.060 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760452210 HXASGUPQMQTGIY-GOSISDBHSA-N 427.553 2.241 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1760695096 APNCQWXCKSFYLE-OAHLLOKOSA-N 436.969 2.154 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(F)c2F)CCOC1 1765921794 HPURVRJTJADYEC-IIBYNOLFSA-N 433.459 2.180 30 10 IEEE Cn1cc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CC2)cn1 1767467414 CUUVQRBEVSYICY-UHFFFAOYSA-N 435.532 2.333 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CC1 1768213879 FYZBIRYZJIUHHY-BTYIYWSLSA-N 431.562 2.237 30 10 IEEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1768291376 NZHNERVPMTYNMB-IAGOWNOFSA-N 446.577 2.293 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1769291360 FLPJEDFXYGDCEO-IBGZPJMESA-N 430.528 2.491 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1)OC 1770778642 AZJYIGLAEHJZJY-TYCQWZJGSA-N 441.532 2.394 30 10 IEEE COCCn1cc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(C#N)CC2)cn1 1771124628 LBPFGHNILXXNJR-UHFFFAOYSA-N 426.550 2.265 30 10 IEEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(Br)n2)CCO1 1771537718 UIJBGGHJVBRAGU-DZGCQCFKSA-N 433.310 2.107 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCN(C)C1=O 1848750631 NRNSHHSJEOROGO-KBPBESRZSA-N 445.994 2.190 30 10 IEEE CC[C@@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)N1C(=O)COc2ccccc21 1850797041 OOOFFBCZHSEAQZ-IBGZPJMESA-N 433.512 2.490 30 10 IEEE Cc1nnc(-c2cnn(C)c2NC(=O)c2nc(C3CC3)ccc2C#N)n1CCCN(C)C 1851402777 NTAHOJHPWMNSNJ-UHFFFAOYSA-N 433.520 2.335 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1C#N 1851939391 RAHHONRTEUPNML-LBPRGKRZSA-N 449.389 2.388 30 10 IEEE N#Cc1cccc(C(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)c1F 1852318254 AOHRGWKKPDLQFX-SFHVURJKSA-N 444.484 2.460 30 10 IEEE Cc1cc(C)n(C[C@@H](C)C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)n1 1853091955 KTMKXPWPTJGKOY-CYBMUJFWSA-N 436.969 2.483 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)CCc1ccccc1 1854732757 VRAGNJCCJXBZAC-UHFFFAOYSA-N 425.510 2.194 30 10 IEEE CCCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861245188 YIVRYGFHUNHGJS-LJQANCHMSA-N 434.581 2.345 30 10 IEEE CC(=O)NCc1nnc(S)n1/N=C/c1cc(Br)cc(Br)c1O 1874558899 GZXYQACBMMUBAI-AYSLTRBKSA-N 449.128 2.316 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)CC2=O)cc1OC 1889648544 HTLXUWAXYQRZPX-SJLPKXTDSA-N 436.468 2.003 30 10 IEEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1889669336 QBZAZFKHIYBFSU-MRXNPFEDSA-N 444.022 2.408 30 10 IEEE CC(C)C[C@@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)N1C(=O)c2ccccc2C1=O 1891476794 HNRVMNLJZNFKPL-JXFKEZNVSA-N 447.495 2.429 30 10 IEEE C#CCOC1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3OC)cc2)C1 1892118079 PICFBJFAWBJTPV-MRXNPFEDSA-N 444.509 2.015 30 10 IEEE C#CCOC(=O)Nc1c(I)nc(C)nc1I 1900728797 WWSZUQRTUOXBTC-UHFFFAOYSA-N 442.982 2.176 30 10 IEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1964763511 IQIAKGLCIIEHSP-PWHSHALESA-N 428.533 2.295 30 10 IEEE C=C(Br)CS(=O)(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068519520 JKBPUZQEMBHVQX-YWVIFJGQSA-N 439.372 2.107 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751771 IGUXPLPJKWTYEM-IGMOGCDKSA-N 436.358 2.442 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247776645 BQHFMCWFJKNNQU-UHFFFAOYSA-N 447.313 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247780170 FYJVYTZSWCMFRA-UHFFFAOYSA-N 441.334 2.131 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247832913 XKKGEGNHNSFSPA-STQMWFEESA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247833841 MMDGNUWTXATMND-UHFFFAOYSA-N 439.343 2.067 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835126 GQEUHGQEXZYEQT-TZMCWYRMSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2occc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256921849 AHSKZZXBQCFOEM-MRXNPFEDSA-N 429.278 2.369 30 10 IEEE COC(=O)[C@@]1(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCN(C(=O)OC(C)(C)C)C1 2265857072 XWHUIQBEYJYPPK-JOCHJYFZSA-N 448.325 2.312 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267144514 XLPGVCIHLKEBTQ-BARDWOONSA-N 446.357 2.131 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 2267237767 TWQQLVFLGHAPRT-MRXNPFEDSA-N 448.369 2.252 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267501621 AHTUKIZGZIRGBS-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267525806 JOPBORMCLVUDTR-JLCFBVMHSA-N 446.357 2.086 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268644700 MXMVTEFTBPAEMA-RVKKMQEKSA-N 448.369 2.437 30 10 IEEE Cc1nc(NC(=O)[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268794666 AGXRCDIVBIOZLC-YCPHGPKFSA-N 444.341 2.278 30 10 IEEE Cc1cccc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282116017 YVWZZUCBECBYGQ-NRFANRHFSA-N 449.404 2.498 30 10 IEEE Cc1cc(C(=O)O)cc(S(=O)(=O)NCCC#CBr)c1Br 2287027752 YVNFIZOVGVLANA-UHFFFAOYSA-N 425.098 2.480 30 10 IEEE C=CC1(N[C@@](CNC(=O)OC(C)(C)C)(COCC)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2306604936 ZBKLZVJZGWJZAH-NRFANRHFSA-N 443.541 2.136 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2319727247 PHGVQMAPANKRSP-ZDUSSCGKSA-N 446.300 2.298 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(F)cc1 2330794343 ZQVYNLAVTGVZSX-UHFFFAOYSA-N 440.504 2.344 30 10 IEEE C=CCC1(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3OC)CC2)CC1 37147 CTKLEDOZHQKQDA-LJQANCHMSA-N 433.574 2.247 30 10 IEEE C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C2=C1CN(CC(=O)NCc1ccccn1)C2=O 35965586 JCBULCFJNSVJMR-QFIPXVFZSA-N 431.496 2.055 30 10 IEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1-c1ccccc1 59776273 NUTLGHZQESRYNS-UHFFFAOYSA-N 439.545 2.259 30 10 IEEE C[C@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(C(N)=O)cc1 96482190 KRICYFSQNDVKPH-KGTBHZDVSA-N 441.406 2.013 30 10 IEEE N#Cc1ccc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCN(CCO)CC3)C2=O)cc1 170072610 LSUXSXZAXXXZSJ-UHFFFAOYSA-N 436.899 2.106 30 10 IEEE CS(=O)(=O)N1CCCN(Cc2cccc(C#N)c2)CCNC(=O)C[C@@H]1c1ccccc1 257181083 FEFJUVWPLUPADH-JOCHJYFZSA-N 440.569 2.273 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(I)ccc1O 436623092 FUVDDIIYSLMYLX-UHFFFAOYSA-N 445.220 3.010 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2CCC(C#N)CC2)c1C 442981965 JYFKVPAOESNOHK-JSRAGOMMSA-N 447.601 2.490 30 10 IEEE Cc1nc(=NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)n(-c2ccc(C#N)cc2)[nH]1 443408215 KEOFOMSNDIXQSP-UHFFFAOYSA-N 431.861 2.095 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccco2)n1C[C@H]1CCOC1 461579678 DVNGWCAILKAFRG-QZTJIDSGSA-N 448.531 2.070 30 10 IEEE N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(C(F)(F)F)c1 462570129 GFZGRQQIZZTMGG-HNNXBMFYSA-N 445.463 2.369 30 10 IEEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469989066 DFTQGGBHSQIHTH-CQSZACIVSA-N 439.343 2.467 30 10 IEEE N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 476538551 RFEDLCUCMMXUGK-ROUUACIJSA-N 444.944 2.089 30 10 IEEE CNS(=O)(=O)c1ccc(CCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 479246613 OSVIALHSIRLOJW-UHFFFAOYSA-N 440.569 2.202 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC(C(=O)NCCCO)CC2)n1 481263983 JWPROWPBMPRMPI-UHFFFAOYSA-N 430.896 2.140 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)c1 487342601 GCJXETHESMCPLS-XKYJBRGQSA-N 435.343 2.108 30 10 IEEE Cc1ncc(S(=O)(=O)NCCc2ccc(I)s2)cc1C#N 489184430 OJIUNZXJHAJKSZ-UHFFFAOYSA-N 433.296 2.449 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@H](N4CCCC4)C3)CC2)cc1 502517951 BCNMPTRQOLQTHT-NRFANRHFSA-N 444.601 2.436 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 527178678 QPSXXDQTKQVAFE-KGLIPLIRSA-N 446.495 2.004 30 10 IEEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 532380407 YFZUQWXCOAFAAY-INIZCTEOSA-N 435.546 2.463 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)c2)CC1 553036821 LWYXNEHFHRIBSP-FQEVSTJZSA-N 449.530 2.479 30 10 IEEE COC1(c2ccccc2)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 557429314 SVXYGWIZRBXZPR-UHFFFAOYSA-N 439.537 2.343 30 10 IEEE C=CCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(F)(F)Oc1ccccc1 581099058 BFHSZQAQSABNGI-UHFFFAOYSA-N 441.504 2.453 30 10 IEEE N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 611644661 RJCFGHAQKABNII-INIZCTEOSA-N 430.461 2.069 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613785060 UFNJJEFVQQLQOH-SFHVURJKSA-N 438.553 2.398 30 10 IEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669813209 SFSDORKNHDOCDU-CYBMUJFWSA-N 440.367 2.412 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc3cnccc23)c1=O 684533936 GWDZJXGIODMOMG-GOSISDBHSA-N 431.517 2.143 30 10 IEEE C#CCN(C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1)[C@H]1CCS(=O)(=O)C1 729335298 LNOYMUXEIWZXBP-LBPRGKRZSA-N 441.340 2.399 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@H](O)Cc2ccccc2)c1 729560591 ZRTQDXOURJOUHC-XFBWPPDYSA-N 430.530 2.225 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1CC(=O)NC1CC1 730709371 RGVDWFPOFLWUFF-MRXNPFEDSA-N 438.513 2.024 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)O[C@@H](C)C2 732155479 CCBZIYGCMYDTMF-NIGJJRNGSA-N 425.485 2.155 30 10 IEEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCN1C1CC1 732664361 HPLMURAJKLBPDT-LJQANCHMSA-N 428.489 2.439 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)c1 733078051 SANPTOOPKPTPLU-AUSIDOKSSA-N 442.585 2.094 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCCOCC)c2=O)cn1 735069203 NVCAABFHBOZNLS-UHFFFAOYSA-N 430.574 2.061 30 10 IEEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 740179221 QSVHZIBZHJCCDL-GOSISDBHSA-N 436.873 2.338 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 742501397 UBOWAAXGKWLEJM-GHTZIAJQSA-N 444.576 2.335 30 10 IEEE COC(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 749384793 IPUOYUJMRRMVFQ-FQEVSTJZSA-N 443.525 2.316 30 10 IEEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 752006789 IUIKFNVIYALQQZ-LLVKDONJSA-N 428.264 2.255 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@]2(C)CCCO2)C1=O 756079008 RCJJTVWEDAUDSE-XMSQKQJNSA-N 443.573 2.127 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)o1 756920300 NAMVGAVAJXKISX-SJORKVTESA-N 441.488 2.414 30 10 IEEE C[C@H](CC(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 771676073 GEADYPCOEGBSNS-SPYBWZPUSA-N 427.526 2.354 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3c3c(C)nn(C)c3C)ccc2c1=O 772927479 AFNKHMKXNJLROY-GOSISDBHSA-N 439.541 2.435 30 10 IEEE COc1ccc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)cc1 775929570 CIVBJSVMONKAEU-NRFANRHFSA-N 439.585 2.288 30 10 IEEE COc1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(OC)c1Br 776022207 ADCASVOJEUOLQH-FOCLMDBBSA-N 439.266 2.114 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 805794786 ZAKPSZQOAXQMRX-GBXCKJPGSA-N 447.624 2.402 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@@H]2CCCO2)cc1C 808131486 WLKYWLPXAKCVFA-FQEVSTJZSA-N 447.560 2.430 30 10 IEEE CCc1nnc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)s1 809940054 BPPPRCDQUYQHNQ-OAHLLOKOSA-N 446.602 2.300 30 10 IEEE COC(=O)c1cc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(C)cc1F 813662967 KVJFUYKBCNULEU-UHFFFAOYSA-N 432.477 2.135 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3cccc(NS(C)(=O)=O)c3)cc2C1=O 915611414 LHLHLWRXPHCTIY-CYBMUJFWSA-N 427.482 2.331 30 10 IEEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)CC1 1084651769 HXXJWKCMACCKNB-UHFFFAOYSA-N 428.349 2.424 30 10 IEEE C[C@H](C(=O)N1CC[C@H](Cc2cccc(I)c2)C1)n1cnc(C#N)n1 1129096917 WBZMRZAYUZTBLD-TZMCWYRMSA-N 435.269 2.407 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)Cc2sc(SC3CCCC3)nc2C)CC1 1136633073 ZGODGTLJSCRHSX-UHFFFAOYSA-N 434.631 2.312 30 10 IEEE N#Cc1cc(NC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)ccc1N1CCC(O)CC1 1137499038 PMLUQKQSHZCRDQ-TZIWHRDSSA-N 449.429 2.269 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 1140339694 GOSQTCJSWOSSTK-LYOQKUPSSA-N 442.443 2.355 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1157759977 GIQFWTIIITZUFY-IRXDYDNUSA-N 439.553 2.435 30 10 IEEE C#C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1158805561 AWJAVCHFGOUAQO-CYBMUJFWSA-N 429.336 2.002 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)n[nH]2)c1C 1158949701 FXAXYPZCCJEYNL-UHFFFAOYSA-N 442.545 2.256 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1165728316 NCKAEMZCSAVFAV-KBPBESRZSA-N 428.411 2.188 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1171724003 KDYJFFYVRYKTRH-PKTZIBPZSA-N 432.524 2.291 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)c1 1171910737 RSPMXYCXHHVBOI-JOCHJYFZSA-N 440.565 2.423 30 10 IEEE Cc1cc2c(N3CC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C3)nccn2n1 1181183460 DJYCHFASPUAKLZ-QGZVFWFLSA-N 441.536 2.320 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)[C@H]1CCCO1 1234626372 KIHBIPRFZONTCN-WOJBJXKFSA-N 433.574 2.117 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1286277871 IMFMXAKEBQOBNH-UONOGXRCSA-N 438.623 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(F)cn1 1286280379 YQSNNLNEESIYQE-HNNXBMFYSA-N 442.520 2.236 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OCC2CC2)c1 1286398301 VUEURFUENGZOSO-UHFFFAOYSA-N 441.495 2.230 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1c(CC)nn(C)c1OC 1286423549 LEUIPVTUSFRXBK-UHFFFAOYSA-N 446.511 2.490 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(CC)CCOCC2)CC1 1286470084 SESZENJDFVUNEQ-UHFFFAOYSA-N 430.597 2.159 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC2(C)C)CC1 1286473300 KDULYCDQLKFHBZ-SFHVURJKSA-N 427.574 2.150 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCSCCCO)CC1 1286490179 NHONZYXIYSJCLS-UHFFFAOYSA-N 445.564 2.166 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1286516744 LIQXOZBTRXNRLA-HRAATJIYSA-N 431.562 2.075 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1286573470 MAJDQSKJEUYJNO-NRFANRHFSA-N 429.594 2.345 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1286581812 NPYWEPLQEGWDGB-QGZVFWFLSA-N 441.667 2.410 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286611052 GAGBDYAUWJAIBV-FUHWJXTLSA-N 430.578 2.284 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNS(=O)(=O)CC)CC1 1286654914 LTCFXFMYGGSSGD-UHFFFAOYSA-N 447.561 2.058 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(Cl)nc2C1 1286789621 GUQRJTSXMTVERL-UHFFFAOYSA-N 440.939 2.053 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)cc1OC 1296743788 DQZKQPXQGBQEDQ-NRFANRHFSA-N 445.495 2.336 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1296984808 XODDPRHZTXPCCN-DVSFIDLUSA-N 430.553 2.398 30 10 IEEE COC(=O)c1ncoc1COCC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1297320812 ARJGKMCSNWZJPU-MRXNPFEDSA-N 432.864 2.040 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1298951408 WVBBYCOMDFBLTL-UHFFFAOYSA-N 438.532 2.118 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 1300020398 HCEINZAFDLXXFY-SFHVURJKSA-N 430.505 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1300298401 BWEKXTOIDPMZRX-GHTZIAJQSA-N 431.544 2.198 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccn(C)n1 1300316964 HTWSXPVEQSPZPD-NRFANRHFSA-N 446.603 2.077 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1300459864 XKOPYUUOVVRYBS-LEWJYISDSA-N 441.601 2.160 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1Cl 1300471618 IYLZDOHEXQJSFM-UHFFFAOYSA-N 431.924 2.383 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300495185 FDTYZRQVHZZWCI-DLBZAZTESA-N 434.587 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCCC1 1300579572 UDLNXNLOCRVYFC-UHFFFAOYSA-N 444.539 2.443 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC=C 1300604558 MBFMRHHFJJUHDQ-UHFFFAOYSA-N 426.340 2.096 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC(F)(F)C1(OC)CCOCC1 1300663596 BPQKVSHNTNOTGN-UHFFFAOYSA-N 435.475 2.257 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CO)CC1 1300833874 DUGHJPTWLIPBIA-UHFFFAOYSA-N 445.325 2.038 30 10 IEEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301062005 ZZLUMOPAEQDAKE-OALUTQOASA-N 425.917 2.102 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1301257514 AJRWKHLKUCJXSV-ZWKOTPCHSA-N 426.583 2.026 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCS(C)(=O)=O)C1 1301542576 PECXXFVSXHZSMB-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccsc1 1301586028 PMPJTLGTYQQJIL-CVEARBPZSA-N 435.575 2.233 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1302988930 FDRPEXXPBOMEPY-LJQANCHMSA-N 443.573 2.240 30 10 IEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1313666067 HHJCVQHQNQTNBR-PKOBYXMFSA-N 439.564 2.161 30 10 IEEE CCN(Cc1ccc(OC)cc1OC)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1313737599 IFCYAVFNHCVUPA-MRCUWXFGSA-N 440.504 2.157 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1313985731 BIIFCKKWUMUPGI-JPYJTQIMSA-N 435.532 2.157 30 10 IEEE CCOCc1nnc(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)n1Cc1ccc(C#N)o1 1314398848 OYKDNUPFYUDIPG-KDURUIRLSA-N 441.580 2.322 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1318868623 BLOBKTZIWGTVRN-DEOSSOPVSA-N 445.479 2.422 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1320033192 SGDOIPPSGXLSLR-UYAOXDASSA-N 426.542 2.141 30 10 IEEE C=CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CCS(=O)(=O)C1 1352904987 MWSGQAQWYXABNR-CYBMUJFWSA-N 426.288 2.371 30 10 IEEE CN1CCN(c2ccncc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1356615606 CMERXBZBXZXJBO-MRXNPFEDSA-N 438.919 2.350 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCN1CCC[C@@H]1CO 1358945340 CJUFJNSISAEKPY-JOCHJYFZSA-N 433.560 2.437 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1358956684 JKDXFSUGKRSROE-SJLPKXTDSA-N 431.562 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12 1358985407 YABNDECSNKIOKU-INIZCTEOSA-N 425.514 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12 1358985408 YABNDECSNKIOKU-MRXNPFEDSA-N 425.514 2.146 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359227522 DCPRVVDMFJCIBJ-DNVCBOLYSA-N 431.487 2.455 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359309944 HYDYZERJUKVTLZ-RTBURBONSA-N 425.533 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1 1359326949 NRZQOTZJPAYSJT-INIZCTEOSA-N 446.577 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC3(CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335480 MQIGGKLORKEYJN-NRFANRHFSA-N 438.594 2.300 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359514130 WTPSZNXLUXXVFI-QZQOTICOSA-N 449.559 2.429 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)Nc2ccccc2C1 1469459220 PEJHIQXCWQUICV-GOSISDBHSA-N 440.525 2.121 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c1 1469675323 SNXKLFZMCYPYNT-IRLDBZIGSA-N 447.457 2.450 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1493555524 JOOXZZDVKXRBBQ-FRIZHTMISA-N 449.353 2.326 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504822722 AXSUYGQXXQWMAG-UHFFFAOYSA-N 445.531 2.093 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCc2ccco2)CCO1 1505321630 UPCNEVQHUIHOTH-KRWDZBQOSA-N 426.864 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccccc2)CC1 1507529224 QPPUHLMUDXFVLE-HXUWFJFHSA-N 430.560 2.405 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1n[nH]c(C)n1 1507680322 DDUYJNPYKGCUNT-UHFFFAOYSA-N 425.493 2.100 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COc2ccccc21 1507703394 WGJAJKOEYDBHPG-KRWDZBQOSA-N 432.484 2.188 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507762073 OMSIPMOBQJILIO-JOCHJYFZSA-N 442.585 2.439 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1507773657 VABUNBRBZQSTDD-GHTZIAJQSA-N 449.621 2.429 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1507967635 MBHJAOZXDOGZIW-IRXDYDNUSA-N 426.583 2.024 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1508090858 PTYFQHUIXNEEEK-QUCCMNQESA-N 441.532 2.061 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508111884 KMRZKIDPCRPIQZ-RTBURBONSA-N 445.589 2.459 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(Cl)cn2)C1 1508112411 AGTCNFQQKBVJLR-PXNSSMCTSA-N 436.944 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@](C)(CC)C1 1508137280 YORDTGPSXYIHOD-NRFANRHFSA-N 448.545 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC 1508137679 PZTZYZYPLUNDHA-CQSZACIVSA-N 439.969 2.018 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCO)C1 1510288525 OWLBRWBNPSFJBW-JOCHJYFZSA-N 427.505 2.245 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1521062404 CJFTUNKCSQOBFU-UZLBHIALSA-N 435.454 2.138 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC2(O)CC2)c1 1521074771 CLEWQCULFFLQPK-UHFFFAOYSA-N 448.449 2.237 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCCOCC(F)F)c1 1521076046 SONJWMMMGFVHEO-UHFFFAOYSA-N 430.459 2.300 30 10 IEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)nn1 1529540063 CFNPCAXTLNYVOP-UHFFFAOYSA-N 445.589 2.479 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(-n3ccnn3)ccc2F)c1 1534106325 UDNBHJPYLCPSJZ-CLCOLTQESA-N 442.476 2.472 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCCS(C)(=O)=O 1539153893 CFWSBJVBRYFZAN-UHFFFAOYSA-N 436.603 2.406 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539210254 ALMOYTFWUCIYTK-IBGZPJMESA-N 444.557 2.007 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)cc1F 1539397116 YHFPGEGQHIDQFD-UHFFFAOYSA-N 438.463 2.207 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1539467727 XUVUGFXYGIQFKJ-WJOKGBTCSA-N 441.601 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)COC)CC1 1539476496 YUTXSCDYZQCPCZ-QGZVFWFLSA-N 425.533 2.202 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@](C)(OC)C1 1540875487 NNKDEZAPCSKJAQ-QFIPXVFZSA-N 429.521 2.173 30 10 IEEE Cc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1ccccc1Br 1542978502 RAOPPOBNHIQSOX-ZPHPHTNESA-N 444.289 2.199 30 10 IEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1545120979 GDYRXFOLPHOXDF-HNNXBMFYSA-N 438.454 2.448 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)C1 1546131974 RMOUDQCGXUOZSE-JKSUJKDBSA-N 428.576 2.091 30 10 IEEE C=CC[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OCC 1556153703 GLZVQYZQILMEBG-MRXNPFEDSA-N 431.493 2.034 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@]2(C(=O)OC)CCCN(Cc3ccccc3)C2)c1 1559956339 TYCUALARYFXXJQ-VWLOTQADSA-N 448.523 2.113 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1565156986 VXNKWYONUFZXAG-HNNXBMFYSA-N 447.479 2.150 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)CC1 1565255194 RFSGJECVNORNMJ-WOJBJXKFSA-N 432.590 2.144 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nncn3C3CC3)CC2)s1 1565604920 BNHRVKDOFZEVNQ-UHFFFAOYSA-N 435.575 2.088 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s1 1566991966 FYQFJYVPICMZEK-AWEZNQCLSA-N 435.575 2.157 30 10 IEEE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1570831181 KPYCTMLKTVKRJD-MSOLQXFVSA-N 425.493 2.436 30 10 IEEE COCCN(CCOc1ccc(F)cc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1585960564 BRMPEYBBRGUWNC-UHFFFAOYSA-N 438.452 2.430 30 10 IEEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 1586493731 DTNDQLWPXKNTML-UHFFFAOYSA-N 427.526 2.277 30 10 IEEE N#C[C@]1(c2ccccn2)CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 1587184716 ABLZKUHHKPLTQB-HXUWFJFHSA-N 427.848 2.457 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1587662157 LPBLRMPWWMXWNC-RTWAWAEBSA-N 449.603 2.069 30 10 IEEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cs1)C(N)=O 1587767095 HGLGHEJZAUCKCX-KRWDZBQOSA-N 447.561 2.401 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1588030272 RYAFBFPUWDRYGF-QGZVFWFLSA-N 431.562 2.044 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588045823 RFFRXPYXKGPWEO-KGVIQGDOSA-N 445.589 2.258 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588060117 ZYESFGCMXPQZJF-LJQANCHMSA-N 430.574 2.491 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1588068863 AYHZPHBIPUICAB-IBGZPJMESA-N 444.605 2.369 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ncc(CC)s1 1588109287 AWNMKGPVKDQBRX-UHFFFAOYSA-N 443.540 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(C)cc1 1588228979 OIMKJILPHIPXTD-PMACEKPBSA-N 440.569 2.419 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCCOC)cc2)CC1 1588848721 MLRFGHKHORIEKR-UHFFFAOYSA-N 446.555 2.093 30 10 IEEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C 1589124778 BLDNYVABMOFTDM-HNNXBMFYSA-N 447.565 2.430 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589503469 DLWNIJWVANQWJS-APWZRJJASA-N 449.577 2.346 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1593625401 UQXCEDQIJWJQIS-XKGZKEIXSA-N 426.569 2.058 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595659086 RTEWCKPFWIZJKH-RTBURBONSA-N 446.573 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1595804484 ABCFIPRSANYDLG-GOSISDBHSA-N 447.605 2.333 30 10 IEEE C#CC1(O)CN(C(=O)[C@@H](CCOC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1603216133 FOIVBBLTJDJJIA-JOCHJYFZSA-N 434.492 2.137 30 10 IEEE COC(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c(S(C)(=O)=O)c1 1610922917 ZSUAVYCELXNUDC-UHFFFAOYSA-N 438.465 2.495 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1615316612 HQFASWXMQALHGH-VQTJNVASSA-N 449.559 2.180 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615357386 JVYHCFVMJIIPEQ-SJORKVTESA-N 439.564 2.437 30 10 IEEE COC(OC)C(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 1620315574 RQCNWHNTWSRLGN-UHFFFAOYSA-N 445.564 2.183 30 10 IEEE C#CCN(CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C 1624392694 NNIKLIZUEIGUNT-OAQYLSRUSA-N 428.577 2.352 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(=O)NOC)ccc1Cl 1627124399 KNRSDNWWESQEFT-UHFFFAOYSA-N 437.905 2.129 30 10 IEEE C[C@@H](C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)NC(=O)OC(C)(C)C 1627424788 GPRWYUBCZIUFSX-GJZGRUSLSA-N 438.550 2.300 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc2n(n1)CCCC2 1631528698 SLQAGRNLLPCPTB-GOSISDBHSA-N 429.546 2.133 30 10 IEEE CCC[C@H](CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1634173519 GUKBSRKNIGMPIM-NVXWUHKLSA-N 437.562 2.235 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636141297 AUQNAICFTFHRHH-MBSDFSHPSA-N 444.532 2.218 30 10 IEEE N#CCc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1636451210 PJZVBIFGIBLUDL-UHFFFAOYSA-N 430.505 2.498 30 10 IEEE CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 1637547680 HZNWPNMDTMQKOP-UHFFFAOYSA-N 447.538 2.021 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 1639000027 OICIFMFVPCZKOI-KRWDZBQOSA-N 433.551 2.384 30 10 IEEE COC(=O)[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1644661458 IJHMRXNZFSWVAZ-GOSISDBHSA-N 442.516 2.229 30 10 IEEE Cc1ccc(NC(=O)Cc2nc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)cc1 1648416273 VTGQLWFMELEZPC-YWZLYKJASA-N 430.555 2.003 30 10 IEEE COC(=O)[C@@H](c1ccc(C#N)cc1)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1654909604 QAERVAFKRXJBRK-QZTJIDSGSA-N 443.500 2.114 30 10 IEEE COCCN(CCC#N)S(=O)(=O)NCC(F)(F)c1ccc(Br)cc1 1665168423 HWKLETNJJVNVQF-UHFFFAOYSA-N 426.283 2.237 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1665497537 RDHNASYOENYDLV-INIZCTEOSA-N 430.910 2.001 30 10 IEEE C=CCSCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1686081974 GRTVYCSUJWKUQE-OAGGEKHMSA-N 440.566 2.130 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)C2)n1 1687235557 IEBUPSBYZXJADM-HSZRJFAPSA-N 438.532 2.252 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 1689910353 DWANHFCYJTYWBV-UHFFFAOYSA-N 442.951 2.367 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1 1690057597 DHNMDODIIGNQGZ-UHFFFAOYSA-N 445.527 2.329 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2ccccc21 1690093980 PDTKEKWNKRACAK-HKUYNNGSSA-N 445.589 2.094 30 10 IEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)C(=O)NCC)CC1 1690120402 TWOOYZRDUVLAMP-UHFFFAOYSA-N 447.587 2.354 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)[C@H](C)CCC)CC1 1690130676 LQXIXRKKTDRCCF-GOSISDBHSA-N 428.606 2.238 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690305929 KSVBEPXQUBMZCH-UHFFFAOYSA-N 449.577 2.064 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)CC1 1690411092 DZJCKRXGEWQCPE-LJQANCHMSA-N 449.552 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCCCO1 1690665417 CFULECLCOMYDEE-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1690891117 CUSGTSKSSPGFOH-UHFFFAOYSA-N 449.559 2.226 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690972660 FMPWYYMATPNMEN-YGKZAACZSA-N 438.532 2.116 30 10 IEEE Cc1ncc(CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1693375786 VJBVGYQOEOJENI-HTXNQAPBSA-N 427.534 2.473 30 10 IEEE CC[C@@]1(C)CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1694453658 BECSVXISLKYQFC-OEAGWNGGSA-N 430.553 2.398 30 10 IEEE CSCC[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1698404159 UXEJTYDPRRZQIF-ZJYNUGOYSA-N 443.577 2.388 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1705486245 ZQSBWCQFKKPQJC-OAHLLOKOSA-N 432.546 2.388 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1Cc1cccc(N2CCOCC2)n1 1705557680 VLSBPKBSRAEILC-UHFFFAOYSA-N 436.491 2.346 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1705579843 VNLAUUOYRAVJDO-UHFFFAOYSA-N 429.528 2.282 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccoc2)CC1 1705643399 DQBRDMNZOGQHKZ-KDURUIRLSA-N 440.548 2.445 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705664774 ASJPDGJTVPQUHG-RCCFBDPRSA-N 446.621 2.119 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1705844043 UWOKGMFYXVDKPY-HNNXBMFYSA-N 427.571 2.059 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1705946792 QXMPFVDGGBXMOT-IKGGRYGDSA-N 443.639 2.155 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1706078170 UPEIOCUHSKSUTL-WMZOPIPTSA-N 435.507 2.343 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706745165 VIWCVODEDGBJMX-UTKZUKDTSA-N 443.573 2.036 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1COCCO1 1710564704 CBGYSVZNRQYGBF-KKSFZXQISA-N 431.468 2.113 30 10 IEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1712242084 FFHHOQNVQVMABO-IBGZPJMESA-N 436.520 2.273 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@H]2CCOC2)CCO1 1712884360 KLBWSYOVIKOTOZ-UYAOXDASSA-N 429.496 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCn1cncn1 1722282668 ONCYVIBVCJKQJX-CYBMUJFWSA-N 430.310 2.466 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc(OC)ccc2OC(F)F)CC1 1722442414 WEHFLGCYTYKSJK-UHFFFAOYSA-N 435.475 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC=C 1722466186 LCNBMRZQIKHSKG-JOCHJYFZSA-N 440.935 2.156 30 10 IEEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1723041410 ADHJHNXABXSRPE-QGZVFWFLSA-N 448.568 2.487 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CC#N 1723670243 TVDHVTPQPQZMTG-CQSZACIVSA-N 440.520 2.213 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC[C@H]1OC 1729070740 NUBMBMLPZBYHOG-RTBURBONSA-N 425.537 2.223 30 10 IEEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1729599842 BXZZXIUMEZQZNH-MOPGFXCFSA-N 448.637 2.431 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1729667684 RSTUTXCYFKJCOC-CQSZACIVSA-N 425.518 2.109 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)cc1OC 1730071681 BNXPURYWJOVXJX-JOCHJYFZSA-N 442.495 2.450 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CC=CCC2)CC1 1740704781 XPIAIYMSQPNXNQ-UHFFFAOYSA-N 432.572 2.481 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2cscn2)CC1 1740956341 PFQMDUOIWHTWQE-UHFFFAOYSA-N 441.536 2.165 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1740963025 XEEXKGNOBBCRCQ-UHFFFAOYSA-N 428.512 2.007 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1740969995 YILBOSBLRSMFGX-UHFFFAOYSA-N 433.516 2.415 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1740986627 CIQFQPKFZBGXNF-IEBWSBKVSA-N 445.589 2.088 30 10 IEEE CCOCc1nnc(N2CCc3ccc(F)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1747138492 XSKGRHCMNNWVQL-QZQOTICOSA-N 440.479 2.043 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1748648863 FYPBIITZWIAIDC-IAGOWNOFSA-N 443.548 2.150 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1748667645 XOYOAJINZOYYLN-CQSZACIVSA-N 440.529 2.019 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764048 GSWUPDZLEUVLHA-YKSBVNFPSA-N 443.592 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(=O)N(C)C)cc1 1748856106 SAPJGLAXQNBSON-UHFFFAOYSA-N 444.543 2.354 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1748857841 GFBIPEJWOSPVIK-OALUTQOASA-N 443.548 2.084 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C(N)=O)nc1 1748902164 CATLUPJSBYFNLS-UHFFFAOYSA-N 428.496 2.171 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1749114901 JNAXMYOAQIJUSB-BJLQDIEVSA-N 440.548 2.450 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1749115203 NGJNVKODYUUKJH-ICSRJNTNSA-N 439.564 2.119 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749457561 RXJHDFLNKUTPRF-ROUUACIJSA-N 446.596 2.201 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1749546904 GIBZJJASTBGCJC-IBGZPJMESA-N 449.490 2.103 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1749557518 KSEKDXKQWCODKW-XUVXKRRUSA-N 430.597 2.148 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749714211 AVYMOBJEXYAJRQ-FXAWDEMLSA-N 440.548 2.221 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1751089353 FZPKTZNGDORZJH-HYFFOGBASA-N 439.520 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OCCN(C)C 1760096317 JNZICZZSQIZMAF-GOSISDBHSA-N 447.543 2.372 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760129587 SCFDRXVYTVZSMM-QGZVFWFLSA-N 435.532 2.224 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760157405 OFMHQNUOJFYZEN-UHFFFAOYSA-N 433.438 2.185 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760278948 MLBXZMDHRAHORW-KRWDZBQOSA-N 445.593 2.491 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NC)CC1 1760284556 NZEUZPVNXTZERL-UHFFFAOYSA-N 442.589 2.302 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760318720 IAVZELCYXMNSBR-LMMKCTJWSA-N 433.578 2.278 30 10 IEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760349869 FVPBQKHVZULPHC-QGZVFWFLSA-N 443.621 2.343 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1760484540 CNVAQRKGDWHYKV-GOSISDBHSA-N 437.541 2.353 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760520967 GASNDUTUOIJAEG-KRWDZBQOSA-N 436.520 2.101 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2c(CC)nn(C)c2CC)CCOC1 1765878907 BDNZNIVOEBDJLK-VXKWHMMOSA-N 445.543 2.279 30 10 IEEE CCN(CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1766644532 WHNCELVGVMDFMS-INIZCTEOSA-N 446.577 2.004 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)[C@H]1c1cccc(F)c1 1851837274 VNJNNQDWYCTBSD-IUODEOHRSA-N 435.399 2.216 30 10 IEEE Cc1ccc(S(=O)(=O)NC(Cn2cncn2)=NOCC[C@@H]2CCCCN2C)c(C)c1 1853565713 RQDMBYOZIKZXSS-SFHVURJKSA-N 434.566 2.078 30 10 IEEE C=C(C)CN1CCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCCC2 1853677837 WLKKYZLDBYFMJZ-QGZVFWFLSA-N 430.574 2.223 30 10 IEEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C2)CC1 1855603649 IXPHECUSNWCRDB-GOSISDBHSA-N 434.558 2.276 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2ccc(Cl)cc2Cl)CCN1S(=O)(=O)CC#N 1856047486 MKNKNHHHVMPNOV-UHFFFAOYSA-N 432.329 2.229 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccccc2Oc2ccccc2)CCN1S(=O)(=O)CC#N 1856092303 LQWQHOIQYKJFIF-UHFFFAOYSA-N 427.482 2.395 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC4(CC3)C(F)(F)C43CC3)ccc21 1856456496 VHTBMTSPRMYSPN-UHFFFAOYSA-N 435.452 2.216 30 10 IEEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2(C)C)cc1 1857152451 BJRHXGGFSJYATK-UHFFFAOYSA-N 425.510 2.460 30 10 IEEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1)CC2 1857219904 LVHDZFJGPIGWOH-HZPDHXFCSA-N 449.960 2.114 30 10 IEEE COc1ccc(-c2nn(-c3cccc(C(=O)O)c3)cc2/C=N\NC(N)=S)cc1OC 1857806690 IANYIIXJLYYJMZ-YVNNLAQVSA-N 425.470 2.422 30 10 IEEE CC(=O)N1CCc2cc(-c3nn(-c4cccc(C(=O)O)c4)cc3/C=N\NC(N)=S)ccc21 1857807010 QGIRBSVSXFJKAR-MYKKPKGFSA-N 448.508 2.314 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1860971751 YEVUOBCPRIIUSD-UTKZUKDTSA-N 434.496 2.040 30 10 IEEE C=CCNC(=O)[C@@H](CCCC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861608840 LKLKTVBJZUMZQP-PKOBYXMFSA-N 429.517 2.193 30 10 IEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862567209 NLRDTHRVPYFDRV-BUXKBTBVSA-N 442.468 2.254 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1cccc([N+](=O)[O-])c1 1864702641 CMMDYAGDLYLOTD-SFHVURJKSA-N 432.440 2.481 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3 1873841561 WVKJTLWSRGLHLH-IBGZPJMESA-N 447.491 2.393 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1886243519 DAERAQPQDHCQDQ-ZDUSSCGKSA-N 426.429 2.004 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN2CCCC2)cc1 1890681257 GLDFDGDBNVVVIP-OAQYLSRUSA-N 431.602 2.353 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(n3cncn3)CC2)[C@H]1c1ccc(C#N)cc1 1892111640 XTSJQCSBVBPTMA-RTWAWAEBSA-N 438.557 2.407 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2010150206 IAKUHSYEGKVGFT-NXOAAHMSSA-N 439.553 2.074 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO 2214618905 KQQMIRCQCUYRNN-VQHPVUNQSA-N 439.553 2.142 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247839913 FBODMVGZHHUCCF-FQEVSTJZSA-N 440.371 2.053 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247920568 ZQSSMWVYCPUEDX-CHWSQXEVSA-N 437.371 2.394 30 10 IEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)o1 2255822605 NHYGLKNGTMYRQS-UHFFFAOYSA-N 434.258 2.239 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255953683 MOMXQSPOTCMGMW-CJNGLKHVSA-N 432.326 2.334 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094549 HPTAUVWMXZUHEL-OCVGTWLNSA-N 446.357 2.131 30 10 IEEE Cn1cc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2267180252 YWWLHYPLOHTUNX-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C 2267190087 JOLIWDFVYVHKDG-HNNXBMFYSA-N 448.373 2.284 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1cccnc1NC(=O)OC(C)(C)C 2267266507 QBTWLXRZALGMOD-UHFFFAOYSA-N 444.301 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](F)C1 2267273020 HFNHTEPXKXQTCF-SJORKVTESA-N 449.332 2.458 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCOCCOCc1ccccc1 2267485817 ILIWTRYTCHXYNB-UHFFFAOYSA-N 443.353 2.073 30 10 IEEE Cn1cc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267501992 GYBRFWLKMYRDBY-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C(=O)OC(C)(C)C 2267509997 DVNOBDJVAGEYKR-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267518643 FXTWUYKPZCOICM-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267523904 IHBKBTNVEHYMGR-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE Cc1c(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527466 HZNCADKSJJMJMR-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267609159 MFGZSUCUMZSCQA-CABCVRRESA-N 446.357 2.151 30 10 IEEE C[C@@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268714392 JNBMGOUHPMAAFF-QAPCUYQASA-N 448.369 2.439 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2278700493 ONSSAIFZIULTTB-SFHVURJKSA-N 448.369 2.450 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3cc(Br)cnc3C#N)O[C@@H]2C1 2279767354 VKUVSXPUUZNVPZ-VBNZEHGJSA-N 440.294 2.498 30 10 IEEE CC(Cl)=CCn1c(NN=C2C(=O)N(C)c3ccc(C)cc32)nc2c1c(O)nc(=O)n2C 2296618950 ZCLPOOYKFAEKKL-UHFFFAOYSA-N 441.879 2.079 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc1 59884663 DPIOQPWUSXTWLS-KEBDBYFISA-N 427.446 2.330 30 10 IEEE Cc1cc(N2CCN(CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)n2ncnc2n1 97478385 VQASWBJUVAYNNW-UHFFFAOYSA-N 432.532 2.118 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc(F)cc2)C1 256033020 KMUKCYFRXLFDFB-KBMXLJTQSA-N 439.447 2.325 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 261434300 KWSOAYIEYVKSIM-MAUKXSAKSA-N 446.479 2.408 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)CC2)nc1 426227161 OJVQXGJHPWXIEJ-KUVXLJAZSA-N 434.540 2.451 30 10 IEEE Cc1nsc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3)CC2)c1C#N 461185243 BIXFVFBUSKOTFC-QGZVFWFLSA-N 427.555 2.187 30 10 IEEE COC(=O)c1cc(Br)cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 462484741 LAKGZAMIGKGDKN-UHFFFAOYSA-N 429.274 2.465 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1 474557513 KKYINNCQLCHRFJ-UHFFFAOYSA-N 436.354 2.449 30 10 IEEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489427760 AGBYYPLLTWBCNX-QGZVFWFLSA-N 442.541 2.125 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nnc(CCc4ccccc4)o3)C2=O)cc1 503126761 PRIHHPZJQASTTH-HXUWFJFHSA-N 444.495 2.327 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(c2ncccc2C(N)=O)CC1 508819221 XUYAQFYBQXRHCS-UHFFFAOYSA-N 442.527 2.443 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1C[C@@H]1CCCO1 521498455 VZGUUDYFXZFTML-IBGZPJMESA-N 439.581 2.125 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(F)c(Cl)c2)c1=O 522109643 JIMBEHFIAMEJBL-UHFFFAOYSA-N 442.903 2.297 30 10 IEEE Cc1ccc(C(=O)C2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)cc1 533246070 MVWGTLKZPVVKHT-UHFFFAOYSA-N 435.528 2.407 30 10 IEEE C=C(C)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 549271426 IVCURJMCNBITEE-UHFFFAOYSA-N 434.522 2.397 30 10 IEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(Cc2nc(C)no2)CC1 570987950 FXKIMPVYHBMZDK-UHFFFAOYSA-N 447.503 2.184 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 604301990 SWZNNMFDOCMSEB-OAHLLOKOSA-N 441.438 2.404 30 10 IEEE Cn1ncc2c(=O)n(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cnc21 609028061 MWTVUEATSJCRFV-HXUWFJFHSA-N 428.452 2.090 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1noc(Cc2ccccc2)n1 731692012 WWEVRJKBSBJZRH-UHFFFAOYSA-N 440.481 2.223 30 10 IEEE N#C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCN1C1CC1 732652214 RADOFVDDIZAAFV-OAQYLSRUSA-N 444.601 2.383 30 10 IEEE CC(C)[C@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 739401899 NFOICIKFSKRRCM-CRAIPNDOSA-N 447.605 2.077 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 740860710 ICIKLVJLYXJRSD-UHFFFAOYSA-N 431.456 2.449 30 10 IEEE C#CCCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 743493212 JOZDJVGRDHRAEH-UHFFFAOYSA-N 437.993 2.345 30 10 IEEE CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCN/C(O)=C1\N=CC=CC1=O 746099228 WSECFHLBPIZILQ-ISLYRVAYSA-N 425.272 2.307 30 10 IEEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NCc2ccc(OC)c(C#N)c2)C1=O 746775230 IAVCGCARXOVFRZ-OAHLLOKOSA-N 428.470 2.020 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CCN1C1CC1 756778441 BBWXBYLVQALCQO-CQSZACIVSA-N 447.326 2.375 30 10 IEEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC=CC2)c1 759697629 RLKWPDXOIRMFRK-LJQANCHMSA-N 446.573 2.422 30 10 IEEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 767700671 HEKALBMFPOXWJA-CQSZACIVSA-N 446.928 2.458 30 10 IEEE C=CCC[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 772783840 DKUORNCWVPADEJ-KRWDZBQOSA-N 438.546 2.206 30 10 IEEE COC(=O)c1csc(-c2cccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)n1 790625850 XBGDOHGLYTXBFQ-QGZVFWFLSA-N 425.514 2.478 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 793125194 NNFHSRCHRSIBCT-UHFFFAOYSA-N 430.486 2.121 30 10 IEEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nn1-c1cccc(C#N)c1 801470066 YOINPOQHKXEGDT-QFBILLFUSA-N 425.489 2.010 30 10 IEEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)c3ccc(C#N)nc3)CC2)C1 802401820 BHFKJFYBVMAGJD-UHFFFAOYSA-N 437.504 2.315 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 802569700 ZJDFFXCYAWDOSC-LJQANCHMSA-N 438.532 2.482 30 10 IEEE C[C@H]1CCN(C(=O)NCCOCC(F)(F)C(F)F)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 805364409 LNHHGELGQQXCLG-GUBZILKMSA-N 425.345 2.390 30 10 IEEE COc1ccccc1[C@H](O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 916711962 VIEZLPRKKMANKU-FCZGTTMTSA-N 446.529 2.363 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)c1 918567545 BVJSJIXMWABLQG-FQEVSTJZSA-N 443.525 2.403 30 10 IEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)o1 1084162888 BTBSEKFLLRRPFY-UHFFFAOYSA-N 446.541 2.114 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)CC2)c1C#N 1128138262 HMMVIYRUWNIECW-UHFFFAOYSA-N 443.511 2.139 30 10 IEEE COCCCN1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1136595082 QARFCKQEBFXSKM-OTQYULQBSA-N 434.581 2.390 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1154131713 SKCBPWHQSZNRKU-OAHLLOKOSA-N 435.477 2.368 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)CC1 1155873131 KFZIQGOLDLKOFJ-FXAWDEMLSA-N 447.601 2.380 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)nc1 1178460999 WMIHSUFRPSZDNG-ACQXMXPUSA-N 439.541 2.337 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181001738 WIRBTDXEGIIACX-IRXDYDNUSA-N 445.520 2.068 30 10 IEEE C#C[C@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C1CCOCC1 1192799572 ZOKYTRCNJUDYTF-NPMXOYFQSA-N 435.365 2.169 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286392203 GHXKCECJBDUGMR-LJQANCHMSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC1CCS(=O)(=O)CC1 1286414733 APZFECMFFBTRHM-UHFFFAOYSA-N 440.569 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC[C@@](C)(CC)O1 1286462662 QHODKXAXWDGGFD-OPAMFIHVSA-N 429.521 2.440 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)c2ccco2)CC1 1286474068 ZEGZDJHCNDPOFC-UHFFFAOYSA-N 438.919 2.377 30 10 IEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@H]1C 1286541674 BVOZLWYDIUJLIF-GFCCVEGCSA-N 426.340 2.403 30 10 IEEE C=C(C)Cn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OCC)CCOC1 1286598427 IYWHNAICGJCBDZ-PGRDOPGGSA-N 427.553 2.402 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1286756436 MOCXZMLPEJTPOA-UHFFFAOYSA-N 435.550 2.398 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1286758355 LAYATFLMSYPNCX-MRXNPFEDSA-N 437.591 2.208 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1286967497 FBZYCVJXLCHECV-ROUUACIJSA-N 425.537 2.048 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1286970947 YOBNZDFODDUAJH-NVXWUHKLSA-N 431.562 2.052 30 10 IEEE CC/C=C/Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1293727138 UWNRAQPYYQXAND-AWUSRGSFSA-N 437.548 2.490 30 10 IEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1293838521 WXZYGHXYIVTUKR-PKTZIBPZSA-N 438.532 2.139 30 10 IEEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1(C)C 1296930714 GUCXYCXDIIOARL-MSOLQXFVSA-N 446.577 2.006 30 10 IEEE CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C#N)nc3)cc2)s1 1297425767 GMTPPPAHKZHYKJ-UHFFFAOYSA-N 428.499 2.349 30 10 IEEE CC[C@@H](COCC(F)(F)F)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1298388724 LHOCKCBOAHPPBN-DZGCQCFKSA-N 426.395 2.237 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)c1ccccc1 1299870069 WHTFFMCYYZMBCO-RBUKOAKNSA-N 432.929 2.364 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(SC)CCOCC1 1300558800 CEIHJSRTPWXTHD-JOCHJYFZSA-N 432.590 2.305 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)OC 1300559728 YVNYJJNOLLQLBT-MRXNPFEDSA-N 428.562 2.044 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1CCC(OC)CC1 1300666340 XKOPDQDHKMSKOL-IBGZPJMESA-N 433.597 2.148 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCOC[C@H]2C)n1 1300680847 GCSRIJBTXYZGOV-WOJBJXKFSA-N 449.559 2.495 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1300701350 PJFDEHVRPMAVNX-QFIPXVFZSA-N 434.588 2.191 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300843923 IAPUQVYNZTYXNC-AWEZNQCLSA-N 432.326 2.113 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCS(=O)(=O)CC 1300886487 XYXKWMZTLBOAOE-KURKYZTESA-N 426.583 2.372 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1300909371 QRQGNXLLKXNSKE-UHFFFAOYSA-N 429.550 2.037 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1300952390 UAEVLKAEVZTERX-IBGZPJMESA-N 444.561 2.305 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCOCC1 1301349305 IKYFALUUOMNTEO-FQEVSTJZSA-N 438.576 2.314 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1301453961 IEFRSFKUGHSSEW-UHFFFAOYSA-N 440.426 2.087 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1301542470 OHLNUZMMFNNYGO-LJQANCHMSA-N 429.484 2.140 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N(C)[C@H](C)CC#N)CC1 1301772106 ZZGFUGRHYOGWFE-MRXNPFEDSA-N 445.518 2.050 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOC1=O 1302147162 XVMPQLJRUWXHNM-UHFFFAOYSA-N 439.520 2.244 30 10 IEEE C[C@@H]1N(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1305245383 SWGLQRDCDLCYSI-FUFIUMIBSA-N 444.536 2.050 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1314662372 APJXQRXXEXMGAD-UHFFFAOYSA-N 444.605 2.418 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N(CCC#N)CC2CC2)n1Cc1cnnn1C 1314895469 QJICWTZSIGIYRS-UHFFFAOYSA-N 444.341 2.353 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1cccc(F)c1 1316210032 NKQHKJAGMRBSFC-FRQCXROJSA-N 433.484 2.337 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CCO1 1316538707 AHGNEDTXVZCISQ-FCEWJHQRSA-N 437.422 2.308 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC(F)(F)C1 1359019397 UJHJEDGAPPMLQG-CVEARBPZSA-N 447.552 2.190 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1359106110 XSTOFJTUTLATCN-JTSKRJEESA-N 441.532 2.125 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359224311 MKCYQYDTFYIAHV-OAHLLOKOSA-N 425.942 2.210 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1359271551 XTFQMIYHMRVENG-OAQYLSRUSA-N 436.560 2.288 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1359323362 MWHLKLFJLBBINX-IFMALSPDSA-N 439.608 2.071 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1359550761 NVYKJTSMJYPQHN-HSZRJFAPSA-N 438.532 2.117 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1359643006 LLLMSDMKECGDOL-UHFFFAOYSA-N 438.532 2.118 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1360319526 JJUBGBJWXGBUSX-CVDCTZTESA-N 448.612 2.292 30 10 IEEE N#C[C@]1(NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CCSC1 1442986024 JUUAQQJMZAIODN-NFBKMPQASA-N 437.521 2.401 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 1445037509 VIHRAXBAXWSUJD-UHFFFAOYSA-N 447.557 2.134 30 10 IEEE C#C[C@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C 1450342322 NHWNMLWZQAQXTG-GOSISDBHSA-N 430.526 2.008 30 10 IEEE Cc1ccc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1S(=O)(=O)N(C)C 1460600564 ATCDTRRJVVEVFU-QFIPXVFZSA-N 441.557 2.136 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)NC(C)(C)Cc3ccc(C#N)cc3)cc2S1(=O)=O 1462933632 VMUGFCHGBHHNLC-UHFFFAOYSA-N 441.509 2.100 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](CCc1ccccc1)C(F)(F)F)c1cc[nH]n1 1466444921 OSOZNUURKNLOJX-OAHLLOKOSA-N 426.395 2.373 30 10 IEEE O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cccc(C#CCO)c1 1466558030 LUTFUUVMJAXISR-UHFFFAOYSA-N 430.501 2.143 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)nnc1-c1ccco1 1472259990 XDTYNGUNIYTQSB-DLBZAZTESA-N 431.562 2.264 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H]3c3ncc(OC)c(O)n3)ccc2c1=O 1472628255 GMNDPURGASPBFX-HNNXBMFYSA-N 439.497 2.353 30 10 IEEE Cc1cc(Br)sc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1475201465 HHTMHUAQONFCPC-UHFFFAOYSA-N 444.380 2.244 30 10 IEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1479296565 DTBZDUXIUCIRAB-UHFFFAOYSA-N 436.553 2.023 30 10 IEEE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1503393268 HTZGUTRLHXNSLU-UHFFFAOYSA-N 444.543 2.418 30 10 IEEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)cn1 1503660615 BQMFARARQPUHGO-UHFFFAOYSA-N 443.533 2.419 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1504998478 JGRYNCSCIAONPB-XHSDSOJGSA-N 446.577 2.360 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507609020 VYZXPJAJGOJBJM-HKUYNNGSSA-N 443.573 2.227 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1507677646 FEOULGSKKFTVCH-FQEVSTJZSA-N 433.965 2.189 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1([S@](C)=O)CCC1 1507699677 JJPVWCPMXIEYBN-HKBQPEDESA-N 445.564 2.496 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)OC(C)(C)C)CC1 1507718024 LCHYXZZRWGGEJB-UHFFFAOYSA-N 440.548 2.234 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ncccc2F)CC1 1507720405 GSJMJVBICCGWCM-UHFFFAOYSA-N 441.898 2.362 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507921163 RTUMDOAXKWZKND-HSZRJFAPSA-N 449.596 2.216 30 10 IEEE C=CCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507953054 DKDMVWCHZABRMI-HSZRJFAPSA-N 433.597 2.445 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC)C1 1508087762 DUIAGZQALLRFLN-GOSISDBHSA-N 438.580 2.381 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 1508093721 VPRAMCKBLPNGNT-XXBNENTESA-N 441.532 2.488 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2nccs2)CC1 1508093868 XNEVCWVFXQJDMA-UHFFFAOYSA-N 440.577 2.282 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1514507474 ZTJIFPHODFLMPO-IBGZPJMESA-N 447.547 2.126 30 10 IEEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1516663741 SUCLQPIDIAGQKU-VQIMIIECSA-N 438.598 2.225 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1csc(COC)n1 1517561521 BRWGRNNHVXJUOI-UHFFFAOYSA-N 439.545 2.430 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1519056107 OZIVFJUFVGUALK-GOSISDBHSA-N 426.521 2.116 30 10 IEEE N#CCNC(=O)CNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1525610371 DXHHUPTYTLSPRS-KRWDZBQOSA-N 446.507 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1539029022 GQIGZMXHYSPGQI-INIZCTEOSA-N 427.530 2.011 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539052784 SMIUHSYLKJUOBR-PKOBYXMFSA-N 446.573 2.392 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1539251596 JZUFEOAYLQPICQ-UHFFFAOYSA-N 449.433 2.104 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1539256954 BKJHVTKDSOBWLH-FQEVSTJZSA-N 428.496 2.332 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1539366416 XQAHVYNDFSBIIU-GOSISDBHSA-N 432.569 2.378 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(Cl)c2)CC1 1539431710 WZWYNSLSROYQIK-QFIPXVFZSA-N 429.952 2.387 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1539670222 ZAUMVDGJNLCGDI-OTWHNJEPSA-N 439.626 2.082 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1540006399 SDZAYNDKWGGCFB-SJORKVTESA-N 443.639 2.155 30 10 IEEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540019061 AMGSBXZXMFWKLJ-CTNGQTDRSA-N 432.613 2.373 30 10 IEEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3nc4c(cc3C#N)C[C@H](C)CC4)ccc21 1540205507 FSIMAGWEMRIWSU-CQSZACIVSA-N 431.496 2.356 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)s1 1540260368 SDKJKYIBEXBBKS-UHFFFAOYSA-N 430.555 2.316 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1540863195 QZJIZSDGOCAWQW-SLFFLAALSA-N 431.629 2.089 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540867124 LJXFYFUHVKVKIT-INIZCTEOSA-N 449.515 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540901353 AVQMFSDSILGIEX-UHFFFAOYSA-N 436.969 2.131 30 10 IEEE Cc1cc(C)cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1542154505 CARVSGKUVNWYFP-OXJNMPFZSA-N 434.541 2.190 30 10 IEEE CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1545814703 FUVRKDXHXQPCFP-HKBOAZHASA-N 446.596 2.385 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)NC)CC2)n1Cc1ccc(C#N)o1 1545874568 WCIDTONLHFATMM-UHFFFAOYSA-N 441.536 2.062 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1554239595 FNOYHBKYSXWKQK-GOSISDBHSA-N 429.546 2.114 30 10 IEEE Cn1cnnc1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1554352069 MUBKNAUBKPAENK-QGZVFWFLSA-N 431.273 2.326 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1NC(=O)OC(C)(C)C 1556131942 AOYPWFIDQFQWEZ-TZMCWYRMSA-N 434.497 2.256 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)C1=O 1556383459 RFONRLPXHSTKML-UZUQRXQVSA-N 435.565 2.164 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1566818611 FJEGSMRLCRVMEK-ROUUACIJSA-N 441.594 2.146 30 10 IEEE CCS(=O)(=O)c1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(N)c1 1567795584 MXDBEPBHIYPKLU-UHFFFAOYSA-N 428.514 2.449 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3ccnn3-c3ccccc3)C2=O)cc1 1584575425 VCSHFPNIAKELQD-NRFANRHFSA-N 442.479 2.308 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588045822 RFFRXPYXKGPWEO-FGSXEWAUSA-N 445.589 2.258 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1588446115 YPLXJVIDZWRPGI-UHFFFAOYSA-N 439.483 2.212 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1cc(C(F)(F)F)ccn1 1588574510 KORIMPNQVXKKSP-UHFFFAOYSA-N 438.454 2.159 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 1588750778 FORDVLANTYTYKM-PXNSSMCTSA-N 445.951 2.242 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C2CC2)CC1 1588780648 UVOCIOBHMNHFGL-UHFFFAOYSA-N 430.915 2.019 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOc2cccc(C(F)(F)F)n2)CC1 1588892043 WAKGAXHCJMDLPU-UHFFFAOYSA-N 436.438 2.045 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1589059668 HOHAWHKFEJQBGT-VAMGGRTRSA-N 433.622 2.086 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1589687788 OKGFWFVMGICMHQ-QGZVFWFLSA-N 432.594 2.393 30 10 IEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593859437 XCSMBBMNDUPCBR-OAHLLOKOSA-N 430.896 2.179 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1595720743 BESKGNJNODOOCQ-ICSRJNTNSA-N 441.532 2.089 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccoc1C 1595821917 DKOZWCKBEPNKIN-UHFFFAOYSA-N 432.550 2.278 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)c(F)c3)c2)C[C@@H](C)O1 1597468199 DUKKSSMUIQQUKI-GASCZTMLSA-N 431.489 2.425 30 10 IEEE Cc1cccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1612250067 DRHWYJVTIVGCLI-UTKZUKDTSA-N 446.577 2.406 30 10 IEEE CCN(CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1615449396 VTXNYANYUORFQI-VAMGGRTRSA-N 448.612 2.284 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620347787 COXZWWSVCFEAEN-FBBFKJPPSA-N 449.490 2.032 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2C(=O)Cc3ccccc32)C1 1626308960 VSYQNLRTNAFXDX-UHFFFAOYSA-N 439.313 2.462 30 10 IEEE N#CCCn1cc(C(=O)N2CC[C@H](CN3CCCC3=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1629808644 PEMOAJBYGKLCTQ-MRXNPFEDSA-N 436.472 2.456 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@H](C(N)=O)Cc4ccccc43)C2)C1 1632452707 BBCMWWSCBPEYPQ-YUHNXQFESA-N 438.528 2.464 30 10 IEEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1632885110 PZISZOKIEFPCFA-SJKOYZFVSA-N 441.431 2.359 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1OC 1632986312 YXAWSCVUIMAYSG-QGZVFWFLSA-N 445.497 2.189 30 10 IEEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1637552732 LKPDALFHPPNDEB-SRXHXZOOSA-N 442.516 2.069 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)ccc1F 1637872013 UFVKLEQMZVHKEY-UTKZUKDTSA-N 436.480 2.230 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](c1ccc(F)cc1)c1ncc[nH]1 1640555777 YBNJMKKYAAIGOP-AUUYWEPGSA-N 441.488 2.335 30 10 IEEE Cc1c(C#N)cccc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1641368098 SESIHIRZEBXNPT-SOLBZPMBSA-N 433.530 2.475 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1641910566 NFCYINYPDJHQPP-SGTLLEGYSA-N 437.294 2.085 30 10 IEEE Cn1cc([C@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2(C)C)cn1 1645905427 CGKLBXJVJFEERK-RTBURBONSA-N 426.590 2.316 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1646398162 CACFMWVZJAMNKY-SFHVURJKSA-N 441.594 2.100 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NC[C@@H]3CCCN(CC#N)C3)ccn2)CC1 1650833895 MJNUKEAYCWYEKP-SFHVURJKSA-N 442.564 2.104 30 10 IEEE C#CCOc1ccc(C(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 1652675881 SZCQCIDEYTWHBL-GOSISDBHSA-N 428.485 2.181 30 10 IEEE C#CCCOc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1653299185 RIJAUVOICJUTKO-KRWDZBQOSA-N 427.501 2.039 30 10 IEEE C#CCN(CC#CC)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 1653461979 YBONTQZLAXWCIH-NBVRZTHBSA-N 429.929 2.451 30 10 IEEE C=CCOc1ccccc1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1684552943 WQONSHGODALDDL-UHFFFAOYSA-N 429.542 2.486 30 10 IEEE C#C[C@H](NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1)c1ccc(Cl)cc1F 1686922858 ROCNYCISSCGNCL-INIZCTEOSA-N 429.887 2.330 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCC1 1690030489 VTRNLFXYSUVOMJ-KDURUIRLSA-N 426.565 2.217 30 10 IEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C)C1 1690157451 HIKOAVPIGHGRJI-HNNXBMFYSA-N 448.618 2.138 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCCCS(C)(=O)=O 1690195650 NCOBKTPNYDDZHA-RTWAWAEBSA-N 438.594 2.137 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1690201825 ZOFMOQRKTQDQFF-JOCHJYFZSA-N 440.573 2.320 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C1 1690236180 JKCGVLQTHAAAHC-LZQZEXGQSA-N 431.562 2.390 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1690257211 ANVGJDRBLXDMRK-YLJYHZDGSA-N 426.583 2.156 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NCC 1690559788 JYSQCPQKCHIZPZ-LJQANCHMSA-N 449.559 2.456 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690661825 IJVSSGOISSGIRM-SFHVURJKSA-N 425.533 2.387 30 10 IEEE CCOc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)ccc1OC 1696104654 AUECFAFFISWIOW-DOTOQJQBSA-N 447.561 2.232 30 10 IEEE CCOC1CC(O)(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)C1 1696201902 OKTVERNJDPPJJC-UHFFFAOYSA-N 426.521 2.041 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CC1(C(N)=O)CCOCC1 1705501633 LHWKAIRMGBVCAI-QGZVFWFLSA-N 425.533 2.160 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1705527455 YPKRZBPNMBPTPB-GOSISDBHSA-N 439.545 2.195 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1705595724 DGLLZOXFBMLSSH-UHFFFAOYSA-N 445.527 2.219 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1705599480 ZUTWUPIQLXQEIG-GOSISDBHSA-N 425.558 2.016 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705617267 PFPGHPZWQIESFW-HSZRJFAPSA-N 447.587 2.214 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccn(CC)c1=O 1705623743 CDPPQWAMEUVOHF-UHFFFAOYSA-N 426.908 2.309 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705727468 GTRNVZUBKNBTJA-UHFFFAOYSA-N 430.528 2.219 30 10 IEEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1705740598 QFOSDHNOURPKQJ-UHFFFAOYSA-N 431.562 2.450 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1705873788 VHOUIKUKAZITAP-GOSISDBHSA-N 441.580 2.210 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705902524 GOMUJBIIOPCECD-FQEVSTJZSA-N 438.576 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705930241 JIXBGRRZNYFIQV-UHFFFAOYSA-N 445.376 2.216 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705931889 DSDRZOIAIZECNX-SFHVURJKSA-N 441.561 2.188 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)CC1 1705933291 AXCZZAMRMJDERP-UHFFFAOYSA-N 445.589 2.170 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1706639323 MKQMHQVZCCAYGA-SFHVURJKSA-N 432.532 2.237 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1710324318 JVPSNLDTNDWSFV-GCJKJVERSA-N 426.496 2.412 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC(F)(F)CO2)c1 1722309442 NOZRZBWTWFILCF-AEFFLSMTSA-N 445.470 2.262 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1722341301 CPUILRHRRMKJBH-SFHVURJKSA-N 429.546 2.184 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC(=O)N1 1722377076 ODQWBMWNLYFZOT-OAHLLOKOSA-N 442.317 2.068 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1c(CC)nn(C)c1OC 1722382825 FRYPIUNRBXZKJN-UHFFFAOYSA-N 432.528 2.303 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccccc2F)C1 1722422714 SLVYTCAWQSFILK-ULQDDVLXSA-N 449.552 2.232 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(C(C)=O)CC1 1722426217 CPQJOXQMIINTPX-UHFFFAOYSA-N 445.514 2.492 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2F)CC1 1722432926 JFVXACGALUWUKN-QHCPKHFHSA-N 427.524 2.261 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1722442641 XOCRVMBAKPQTEY-UXHICEINSA-N 439.560 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2snnc2C)CC1 1722448804 AAMYVFJIJCVEGD-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722634473 PGEMHNGUJVFCRF-IFXJQAMLSA-N 440.953 2.243 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1722664317 WIVMOXYZBLMJOA-LJQANCHMSA-N 444.605 2.330 30 10 IEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722691491 XCMOKBMMCMJDPA-UHFFFAOYSA-N 442.539 2.317 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)C1 1722713865 JWHBULCWJXXWJH-SFTDATJTSA-N 439.560 2.312 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1723020620 WYGRHKXKNKTFPJ-WORKWWTESA-N 443.529 2.478 30 10 IEEE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1729328838 BNUKCKSTDYJOIA-OAQYLSRUSA-N 429.475 2.096 30 10 IEEE COc1ccc(OC(F)F)c(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1730183947 GNPRBVHSAVXIAF-HNNXBMFYSA-N 443.414 2.122 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1730999589 AHJUNLIVKRAFJU-YLJYHZDGSA-N 433.509 2.164 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740575620 PREWTLCUZBNEGK-OALUTQOASA-N 437.610 2.083 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740576827 INNCZHUCXFBTOP-UHFFFAOYSA-N 444.477 2.226 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740595436 DGAIQFPUUQAANT-NRFANRHFSA-N 432.521 2.425 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1740628282 OYXPNRGEBHMENN-HXUWFJFHSA-N 428.558 2.327 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)c1ccccc1 1740686245 PUCITZPUUHLWFH-MRXNPFEDSA-N 438.500 2.058 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740793834 WDQOSRMUTQJQNS-SFHVURJKSA-N 433.940 2.066 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CC1 1740919075 YWWMIAZNSMPRPE-UHFFFAOYSA-N 443.573 2.170 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCSC2(CCCCC2)C1 1740951352 WFRWOBGGPOYTKK-UHFFFAOYSA-N 432.594 2.072 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740957769 AHIUUBDADZMSNM-RTBURBONSA-N 427.553 2.477 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCOC1 1740988580 JNFXKSGFFAZIPU-HNNXBMFYSA-N 440.953 2.433 30 10 IEEE CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741491511 CLHMKCOJMQOSIS-SFEXGQDGSA-N 428.537 2.181 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1cc(F)cc(F)c1 1741903864 FCMFJLNZCOIUOX-CHWSQXEVSA-N 426.493 2.148 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1743898030 SHQASZXOUCLMKH-HUUCEWRRSA-N 432.475 2.181 30 10 IEEE CCc1nnc(N2CCN(c3cccc(C)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1744692330 MDADTMDYBRXTRC-QURGRASLSA-N 435.532 2.002 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(OC)c(OC)c(OC)c1 1748785070 LRBVUVYMHIAERQ-UHFFFAOYSA-N 439.472 2.149 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCC[C@@H](C)C1 1748956369 DLDVTORKMNTPET-GOSISDBHSA-N 425.533 2.492 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NC2CCCCC2)CC1 1748979874 QNILQDZEEYCZJK-UHFFFAOYSA-N 436.560 2.158 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1749020086 KYUQXCXEOSAOKX-LJQANCHMSA-N 438.557 2.232 30 10 IEEE C#CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1C1(c2ccccc2)CCC1 1749049973 UMIAKUPSSVSHQQ-UHFFFAOYSA-N 430.599 2.349 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1749426538 FAFHENJRDQYMQJ-QGZVFWFLSA-N 431.562 2.179 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1749486436 BVHAGVFUCWSKPH-HNNXBMFYSA-N 427.571 2.059 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)C1 1749695677 HGFMYEAEQLQCDW-NRFANRHFSA-N 433.516 2.489 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C)[C@H](OC)C1 1749726844 GTYAKJHSMOMUFE-HNAYVOBHSA-N 448.545 2.136 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCSC2)C1 1749732518 XWFAELGXSVHXFG-QFBILLFUSA-N 426.608 2.106 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1749758097 JNKSSJFNPMRODX-QGZVFWFLSA-N 429.546 2.438 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)C1 1751271891 GHEDUNWIMJKBSG-HSZRJFAPSA-N 444.580 2.477 30 10 IEEE Cc1cc(C)cc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1751405116 BVJVYXJZINFBRO-IAGOWNOFSA-N 434.566 2.180 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760137825 XYXWLZSCWYDETP-LJQANCHMSA-N 426.565 2.404 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2ccsc2)nc1 1760163053 KZJVSNCARPMVQC-AWEZNQCLSA-N 430.559 2.130 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1760256922 LVYWBYYUWNTZBC-HFMPRLQTSA-N 443.592 2.055 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNC(=O)C(C)C)CC1 1760261114 KYZWQOTZYADECO-UHFFFAOYSA-N 438.576 2.001 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2nnc(C)s2)CC1 1760268713 WDOAHQGZEQMCJU-UHFFFAOYSA-N 439.520 2.258 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760353502 UNIJLZYCBYATFC-FQEVSTJZSA-N 425.533 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(F)cc1 1760521414 SBTGOUZZJSHSHE-UHFFFAOYSA-N 426.452 2.084 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CO)CC1 1760558332 MIMNWYDYZIELNZ-QZTJIDSGSA-N 440.610 2.006 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1760566142 MKFCIFIHAQRJGY-CQSZACIVSA-N 427.621 2.235 30 10 IEEE CCC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1763889773 SDJBADALQNBYMP-JENIJYKNSA-N 440.552 2.321 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCN1CCOC[C@@H]1C 1772516667 OIZJQNKBTDOAFS-IBGZPJMESA-N 425.508 2.180 30 10 IEEE CN1[C@H]2CCC[C@H]1CC(NC(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1772833847 CDJVNJYHYZWROK-ROUUACIJSA-N 432.590 2.417 30 10 IEEE Cc1nn(C)c2nc(N3CCCN(C(=O)c4cnc(C#N)nc4)CC3)cc(C(F)(F)F)c12 1851491360 VZTKHLKLJWQRFZ-UHFFFAOYSA-N 444.421 2.310 30 10 IEEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)c1C#N 1851837347 FWVCHGNETZQVAQ-GOSISDBHSA-N 431.500 2.060 30 10 IEEE Cn1[nH]c(=NC(=O)c2nc(C3CC3)ccc2C#N)nc1N1CCN(c2ccc(F)cc2)CC1 1852362774 QNDAHMKBQLUZEU-UHFFFAOYSA-N 446.490 2.099 30 10 IEEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@H]2C)c1 1854143089 XVZQDIIOLZIGBJ-QGZVFWFLSA-N 425.510 2.378 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)C4CCCC4)C(=O)O3)CC2)cc1 1855828589 QEVBPUUYISGXPB-LJQANCHMSA-N 431.514 2.497 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)ccc1O 1862630600 XMNVQPJUAYQXQX-IBGZPJMESA-N 427.409 2.090 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cc(OC)c(OC)cc1OC 1864871849 SGEKMZWWRHOIGA-QGZVFWFLSA-N 428.489 2.005 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C1CCC(N2CCN(C)CC2)CC1 1869061335 LAUQEPGVQPNLTL-XVAXZDLZSA-N 436.666 2.231 30 10 IEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4[nH]ncc4c3)CC2=O)cc1 1870159352 MBMGJLIPQSLHNA-CQSZACIVSA-N 442.439 2.015 30 10 IEEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)N1CCN(c2ncccn2)CC1 1871284032 RUIOMYRUOWWZII-UHFFFAOYSA-N 430.877 2.168 30 10 IEEE CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874332351 GAZHNEFIQJNNRF-QOJWJBQSSA-N 446.489 2.286 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 1891063342 NGSNNQSXTPOSJG-UHFFFAOYSA-N 442.560 2.176 30 10 IEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C1 1891374402 KXACXAHISRMGNB-HUUCEWRRSA-N 429.864 2.248 30 10 IEEE C=C(CN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)B1OC(C)(C)C(C)(C)O1 1929641567 TVDNIRPLRNSSNP-UHFFFAOYSA-N 448.350 2.122 30 10 IEEE C#CCN(CC(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1962755820 YVNDWQKCXKZRSJ-MRXNPFEDSA-N 439.553 2.123 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 1985006668 GOAWGUFYZAZWFE-PMPSAXMXSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2060635199 JLGWDFGYLGMZOC-UHFFFAOYSA-N 432.326 2.154 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2060636505 YQMBMWUDVBQWNL-GJZGRUSLSA-N 442.337 2.391 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1CC#N 2225649166 YVNPPJMUJQQIKW-CYBMUJFWSA-N 425.457 2.262 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831847 FOQKXBZHRKYESL-ZDUSSCGKSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835123 GQEUHGQEXZYEQT-GXTWGEPZSA-N 437.371 2.475 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247907870 JTOBAHPLAUVUJJ-ZHRRBRCNSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254792633 XEXPNWUKUXZPIE-AWEZNQCLSA-N 437.321 2.250 30 10 IEEE CC1(C)OB(c2ccc(Cl)cc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2255541873 JFRRGEMRLYHCFK-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN1C(=O)OC(C)(C)C 2255695543 GSDPSZJVWNVHFU-ZBFHGGJFSA-N 433.358 2.452 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266060557 WRWHOFNPIVKBIM-AWEZNQCLSA-N 449.332 2.080 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2266994077 PWFGTBZUYVMWAH-ZDUSSCGKSA-N 444.259 2.418 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267005672 IBTMBZWEKKFADK-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267125032 QXKVUGUDKJQARZ-SHTZXODSSA-N 448.373 2.143 30 10 IEEE CO[C@](C)(CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267127349 IQIOMZHXRRSXRT-HSZRJFAPSA-N 443.353 2.071 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139118 BLNINEZEYXYNQP-HUUCEWRRSA-N 448.373 2.426 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC(F)(F)C3)[nH]n2)OC1(C)C 2267139537 HUYFRQLTJHZDSL-INIZCTEOSA-N 446.307 2.349 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267142880 ADAQNSTUYQBULM-HUUCEWRRSA-N 446.357 2.038 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C 2267266162 NHRRKZOYHDVNLJ-ZVZYQTTQSA-N 445.369 2.310 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267268461 VEOGSRDYOKSFRS-UHFFFAOYSA-N 449.357 2.042 30 10 IEEE Cn1ncc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)c1NC(=O)OC(C)(C)C 2267287777 WOTLCZMSJXGBOJ-UHFFFAOYSA-N 445.329 2.324 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267552987 WTIOFJQXRIKMBF-CVEARBPZSA-N 446.357 2.342 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)[C@H]2C1 2267728748 ZIYHUIHOJPCLNF-HOTGVXAUSA-N 444.337 2.287 30 10 IEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CN(CCO)C(=O)OC(C)(C)C 2268631548 ZUBYHYKXSYHVSK-UHFFFAOYSA-N 448.369 2.174 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268631967 FFMUYUSHTHQJTF-KDOFPFPSSA-N 446.353 2.149 30 10 IEEE Cn1nccc1C(=O)N1CC[C@]2(CO)CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1 2297648420 DIKICXYOSDIGSK-MGPUTAFESA-N 433.434 2.272 30 10 IEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300304920 QOSZWGVIZYDTIK-MRXNPFEDSA-N 432.351 2.092 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303617376 JRNJZZXUKFTVKI-MRXNPFEDSA-N 432.351 2.140 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)c1 2328625562 OZRMPUNIRPCUAL-UHFFFAOYSA-N 439.497 2.230 30 10 IEEE COc1nc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](OC)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786935 UBUNQQJUICDVFQ-HOTGVXAUSA-N 449.357 2.118 30 10 IEEE Cn1nc(Br)c(Br)c1CNS(=O)(=O)c1ccc(C#N)s1 2364441830 XTDRGLDBQSEBQR-UHFFFAOYSA-N 440.142 2.357 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(/C(O)=N/C[C@H]2COc3ccccc3O2)CC1 34858549 VVTVWKRSTPIDLB-INIZCTEOSA-N 434.518 2.224 30 10 IEEE CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cc([N+](=O)[O-])ccc2F)[C@@H](C#N)C(=O)N3)CC1 72445445 FPIVTMJDDARDBJ-UKRRQHHQSA-N 426.408 2.277 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 109897251 IBTDTJKAJSAMLL-SFHVURJKSA-N 448.545 2.261 30 10 IEEE COC(=O)C[C@](C)(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1 476122102 INFKFCJZMLELHH-NRFANRHFSA-N 432.473 2.207 30 10 IEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 480535997 MGGIEUCRPUXWJZ-UHFFFAOYSA-N 439.515 2.188 30 10 IEEE CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 486041439 FSPODXIDATUWKI-GOSISDBHSA-N 436.497 2.093 30 10 IEEE C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1c(OC)cc(OC)cc1OC 488414732 OMVVDKUEQQFFGP-UHFFFAOYSA-N 428.488 2.337 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)c3nc4ncc(Br)cn4n3)CC2)cc1 504740411 GSZMEZXETUKJFN-UHFFFAOYSA-N 427.262 2.442 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC=C)CC1 508795584 OCAKELGOJORYAU-KRWDZBQOSA-N 428.512 2.167 30 10 IEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@]2(CCOC2)C1 508940020 WCEPYZXTDJKUEC-QHCPKHFHSA-N 436.516 2.418 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 509189312 CRIDEMHTVISLGP-JQWIXIFHSA-N 425.864 2.401 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C1CC1 518034112 DLMQQQPHRNIVCZ-GFCCVEGCSA-N 427.482 2.280 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@]1(C(=O)OC)CCSC1 535455842 HDMRSBGHLLVRKB-KRWDZBQOSA-N 443.319 2.263 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2ccc(Br)s2)C1=O 541366181 HPKPCJBVVCRTQO-JTQLQIEISA-N 426.292 2.151 30 10 IEEE CN(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)c1ccc(Br)s1 544832908 XZAVLVMAODGDRR-UHFFFAOYSA-N 448.346 2.198 30 10 IEEE CC(C)c1nc([C@H]2CCCCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 564524618 HIQSCCWZCRAORZ-QGZVFWFLSA-N 431.518 2.487 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 576906001 CCJWRRKNAXVZAI-QGZVFWFLSA-N 426.429 2.339 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)ccc1F 609220053 YKLNEHIXMXTSNZ-UHFFFAOYSA-N 435.524 2.433 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)c2cccn2C)CC1 669814440 RLWJAVSPANQVML-UHFFFAOYSA-N 436.516 2.449 30 10 IEEE N#C[C@@H]1CN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CCN1C1CC1 732664504 KOYUZBXGGINYTE-GOSISDBHSA-N 430.555 2.290 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)Nc3cc(F)cc(F)c3)C2=O)cc1 733831751 UPBUJTQANAKOIQ-QGZVFWFLSA-N 442.378 2.223 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CCCCC1 760405305 FEFLYWDOZXAVJQ-UHFFFAOYSA-N 447.557 2.224 30 10 IEEE COc1cc(C#N)cc(Br)c1OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 769722302 VXEPNRUQNWFTAQ-JTQLQIEISA-N 432.292 2.217 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 780032996 QXPSAITYENPXTG-VPLQDYMCSA-N 438.509 2.255 30 10 IEEE C[C@H](OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)NC1(C#N)CCCCC1 780255554 QNHWQXMASSBBRZ-GAJHUEQPSA-N 443.500 2.346 30 10 IEEE C[C@@H](c1cccs1)n1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782726658 JKCITQFHIWAIQP-JTQLQIEISA-N 446.355 2.103 30 10 IEEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2ccn(C)n2)C1=O 790736676 UILCUKJLXJMXBJ-MRXNPFEDSA-N 434.591 2.071 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CC(N3CCCCC3)C2)C1=O 794441106 MGPHUHZQMBZXQI-NLVHWADPSA-N 429.590 2.077 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3F)CC2)cc1 799999896 CDEGGCXNGZTOPL-ZROIWOOFSA-N 435.502 2.004 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812387075 IKQVTLASTWLRGG-HKUYNNGSSA-N 448.976 2.186 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812748242 LTAUXZWIXJLJIK-MOPGFXCFSA-N 431.445 2.378 30 10 IEEE C[C@@H](CC(=O)NC1(c2noc(C(F)F)n2)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 816924903 AKGJIZSRQXNNMB-JTQLQIEISA-N 439.444 2.020 30 10 IEEE Cc1cc(OCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1Br 1128029743 DIFQGAJONMECOW-UHFFFAOYSA-N 432.322 2.399 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)ccc1F 1132356813 UBUXZXCUGGYVGD-UHFFFAOYSA-N 431.489 2.383 30 10 IEEE C=CCN(C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)[C@H]1CCS(=O)(=O)C1 1142059550 ROKPNRBKTLHGQM-INIZCTEOSA-N 448.545 2.174 30 10 IEEE C=CCn1ncc2ccc(NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)cc21 1179493944 HMTGEYMPHZZHGJ-KRWDZBQOSA-N 434.905 2.154 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 1186167847 CWDNUMVWGZNTCH-UHFFFAOYSA-N 439.534 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C[C@@H](O)CC3(C#N)CCC3)C2)CC1 1190465946 PFYIJXQFDWFKGM-OALUTQOASA-N 434.581 2.223 30 10 IEEE Cc1ccc(I)c(C(=O)N=C2NS(=O)(=O)c3ccccc32)c1 1251486352 OAAGDHJKOAIMQP-UHFFFAOYSA-N 426.235 2.479 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H](OCC=C)C3)c([N+](=O)[O-])c2)C1 1254646586 ZLHRDRYPRNUNRG-ZWKOTPCHSA-N 429.473 2.429 30 10 IEEE COc1ccc(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1C#N 1254694870 PAMRGUVYUFVFOD-XMMPIXPASA-N 434.496 2.280 30 10 IEEE COCCCn1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1273156160 NTZPZEMUAPMFHY-UHFFFAOYSA-N 445.545 2.139 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286398236 HTYWEXZDAWKVMF-ARFHVFGLSA-N 428.505 2.192 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(SCC)c2)CC1 1286480382 MYAUGUIRIILZQJ-IBGZPJMESA-N 426.590 2.483 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(N2CCCCC2)c1 1286773839 UCBFMBKPLUTGSW-LJQANCHMSA-N 439.564 2.302 30 10 IEEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1286777907 OEZRMVIMKYCPND-HSZRJFAPSA-N 443.523 2.147 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCC[C@H]1C 1286964457 BBWFXUZPPQAENK-BFYDXBDKSA-N 431.566 2.259 30 10 IEEE CCN(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1295398742 FLFWIWQNRPTASE-FGTMMUONSA-N 443.577 2.103 30 10 IEEE C#CC[C@@H](NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)C(=O)OC 1299177666 ACSCYPLAXIPHQQ-HXUWFJFHSA-N 428.510 2.262 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(CC)nn(C)c1OC 1300315229 TYKPASGBSVSWBU-INIZCTEOSA-N 432.532 2.327 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1300601888 LFEYWHOCSYMEGW-MRXNPFEDSA-N 447.609 2.068 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(C)=O 1300619125 RBPREDGTOZHGPI-UHFFFAOYSA-N 435.532 2.051 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2c(C)noc2C)CC1 1300719799 QGJSLJBDWBMHRW-OAHLLOKOSA-N 448.531 2.109 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(N)=O)CC1 1300755536 VUNHQKXLARZVMX-UHFFFAOYSA-N 435.557 2.199 30 10 IEEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301559590 CTTWWPSBKIWFCD-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1303635827 JEXIRSZCLCIDOK-CQSZACIVSA-N 435.488 2.086 30 10 IEEE CC1=CCCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1304590028 BNYXAXQCXSOROT-VXPUYCOJSA-N 439.545 2.317 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1305114033 BXRKOIALNNKAGZ-CYBMUJFWSA-N 438.442 2.260 30 10 IEEE CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1308166654 BIQVIJXBUOZTFC-QZTJIDSGSA-N 436.516 2.480 30 10 IEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1313668680 RROYGUYARKZHFI-AHRSYUTCSA-N 426.521 2.021 30 10 IEEE CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)CCC(F)(F)F 1313816124 SNOZOLBQIJKZRV-HZPDHXFCSA-N 430.475 2.175 30 10 IEEE CCOCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314454444 KXWXWYRVVLNUMO-UHFFFAOYSA-N 441.536 2.158 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1315239392 ZVCUSHHIEFCDGJ-WLBHNISZSA-N 430.553 2.497 30 10 IEEE COc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1315581459 IJYHEUOHVUPRTH-KNQAVFIVSA-N 427.505 2.104 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1345026089 ULUNJIJTNUEOFT-AEFFLSMTSA-N 448.976 2.186 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1358919135 SKATZJJVGREHAS-UHFFFAOYSA-N 434.548 2.203 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1359061214 VJQGYGLEGWEIAU-UHFFFAOYSA-N 438.557 2.187 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(C)=O)CC1 1359134826 IOJJPMDNLUYWLL-UHFFFAOYSA-N 437.548 2.214 30 10 IEEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359233557 JKUIOMFZXAUVSL-IBGZPJMESA-N 441.536 2.418 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC2CCCCC2)C1 1359324434 LEZTZKHPTVZEQO-FQEVSTJZSA-N 441.580 2.370 30 10 IEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1440687131 UUXFFRQABMGEMG-SFHVURJKSA-N 433.434 2.384 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cnc(O)c4ccccc34)C2=O)cc1 1455910618 ZOASEBANLRJOTM-IBGZPJMESA-N 429.436 2.333 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](Nc1ncc(C#N)cc1Br)CCS2(=O)=O 1458683668 RIGDEKUOCZBPCL-BGMSHATGSA-N 428.308 2.027 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C(C)C 1465238296 YAPYKHTVHGHALZ-LJQANCHMSA-N 448.589 2.477 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1468145075 MYUIQVSLGMPKTK-NJYVYQBISA-N 430.501 2.401 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C 1469245505 CZTFXXSELNGGOX-DLBZAZTESA-N 435.546 2.281 30 10 IEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)C2(NC(=O)OCc3ccccc3)CC2)C1=O 1472985009 VXBBLNGYBMRYPQ-QHCPKHFHSA-N 446.463 2.353 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)cn1 1475477414 XUCRALBDXUVMTB-UHFFFAOYSA-N 425.308 2.024 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 1478741744 RDOUVEPGBGMOSI-UHFFFAOYSA-N 428.938 2.490 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1505121134 KKSYTGVTRAGEOS-FQEVSTJZSA-N 440.573 2.092 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@H](CO)O1 1507606636 SIWLDCLWTFZGND-LSDHHAIUSA-N 435.322 2.326 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1507635609 UIXYIUDYSIZSOG-LJQANCHMSA-N 445.589 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCC[C@H]1CO 1507646987 WPDRNBAABVGXKR-DEOSSOPVSA-N 440.551 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1507811749 UNKNPIIRNAQQSV-JTSKRJEESA-N 441.532 2.125 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1507961812 HBVUXHVXAHMBAK-SFHVURJKSA-N 446.502 2.427 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CC)C1 1508122487 JFFYUHMINFAPLG-AUSIDOKSSA-N 441.580 2.394 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1508703097 DWBPWNIQUJABGS-WJOKGBTCSA-N 442.589 2.456 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1509197845 HGSYCRBNZXQGFE-MGVNEBLISA-N 428.537 2.151 30 10 IEEE Cc1cccc(OCc2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1511196695 DMSIWASBYSWXTI-DQRAZIAOSA-N 434.500 2.458 30 10 IEEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N 1515791787 KPLKKQVTJLIXGN-LBPRGKRZSA-N 432.330 2.444 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCCC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1519289072 AFBAXJAZHRKEIN-OSCRUYLVSA-N 446.552 2.155 30 10 IEEE N#Cc1ccc(OCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1Br 1525874247 FWMCOSUEZWONHK-UHFFFAOYSA-N 443.257 2.390 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C(=O)OC)nnn3-c3ccccc3)cc2C1=O 1529774470 KBHYCXFMMMPLKJ-UHFFFAOYSA-N 431.408 2.088 30 10 IEEE COC(=O)[C@]1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@H](C)CC1 1531880897 ZTXUMTNSUSDFLY-UZSYQUHHSA-N 426.473 2.001 30 10 IEEE COc1cc(/C=C2\SC(=O)N(CCNC(=O)[C@@H](C)CC#N)C2=O)cc(OC)c1OC 1532471603 DMVYWKREHKEATO-IEMQHYRPSA-N 433.486 2.415 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1nn(C)cc1I 1533949370 WZJFQBOVIOOTND-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(=O)n(C)cc1Br 1536434997 QJMZNZUTISJBFT-UHFFFAOYSA-N 429.278 2.250 30 10 IEEE N#C[C@@]12CN(C(=O)CSCc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1538539495 HZSGARXCDBRFNZ-BBRMVZONSA-N 429.361 2.079 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCC[C@@H](C)C1 1539420118 BREILXNKXOCPOE-HXUWFJFHSA-N 435.576 2.335 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)N[C@@H](C)CC)CC1 1539469539 BNHSOSPYCMWVAI-INIZCTEOSA-N 440.548 2.117 30 10 IEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539971813 UMODPRRVMXYEFC-HSZRJFAPSA-N 437.548 2.435 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1540127876 XSCDPXSBWOPFMY-LJQANCHMSA-N 440.573 2.463 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c(c2)OCCO3)C1 1540882589 LBQLPEPEXVZAFN-SFHVURJKSA-N 441.532 2.212 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOC[C@@H]1C 1540898195 CJRBIAAVUFOMEK-INIZCTEOSA-N 442.545 2.161 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)C(=O)OC(C)(C)C 1541103818 HEZIWOGRCRDSGX-INIZCTEOSA-N 433.557 2.367 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1 1544253875 MVNQHLZYYVBDLA-KRWDZBQOSA-N 447.532 2.133 30 10 IEEE CCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1546854428 KOKIQSANNJGHNS-RADWXHQJSA-N 440.552 2.057 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1547061584 WYJGDDWPORGKFG-UHFFFAOYSA-N 447.547 2.126 30 10 IEEE COCC1=CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555320551 INNHONDNEKRSRM-VZCXRCSSSA-N 426.521 2.245 30 10 IEEE O=C1C=COC2(CCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)CC2)C1 1585476936 TXIHQIGJNPXXCM-UHFFFAOYSA-N 436.505 2.478 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587587052 WWCKRNGJEDGDGN-HZPDHXFCSA-N 427.530 2.431 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588029245 FHVJWYXWNRNSRB-GDBMZVCRSA-N 436.607 2.211 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(COC)CCOCC2)CC1 1588780481 QZCTWUSZKMXVAL-UHFFFAOYSA-N 439.560 2.152 30 10 IEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1593728926 GAJKNKILJJMLFJ-INIZCTEOSA-N 426.525 2.441 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1594532961 GSZRYKACQGZRCH-IYARVYRRSA-N 428.558 2.377 30 10 IEEE C=CCCOCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1594830088 TVESYWAAZASWKQ-FQEVSTJZSA-N 439.560 2.292 30 10 IEEE CC(C)[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1598241827 AXTCVRBYAKCQLM-MPWIWIEXSA-N 448.568 2.185 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1613598668 YIUNBGOEMZHNSQ-IBGZPJMESA-N 438.532 2.171 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1618126208 HWMOPBGBJVRVPN-HKUYNNGSSA-N 429.546 2.257 30 10 IEEE COCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1619834063 BYRNDWCLVZUXJV-JOCHJYFZSA-N 440.552 2.024 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1620346634 FCXGXRQQVNWEJU-VGOFRKELSA-N 442.495 2.140 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@H]1CCC[C@@H]1C#N 1620488369 XCQALZLYDWCYLB-IRLDBZIGSA-N 444.601 2.022 30 10 IEEE CC(C)OCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1621572542 AQSNVPUZJHKIFJ-KPRXVCGWSA-N 434.581 2.342 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1626732036 XBCBRSQPCMJOQK-UHFFFAOYSA-N 430.486 2.063 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1 1626999827 MBMRUCFVQROEED-IBGZPJMESA-N 430.457 2.471 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 1627014769 DJJVIEQAAGYCDJ-WIYYLYMNSA-N 432.362 2.010 30 10 IEEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)N1c2ccccc2C[C@H]1C 1627729485 LBTNDMWJPVGJDS-ZIAGYGMSSA-N 429.473 2.219 30 10 IEEE Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)ccc1OCCN(C)C 1629573000 FXSMMUJIFNGXKQ-UHFFFAOYSA-N 430.530 2.298 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c1 1631034974 YSCCVBRQAQSJDQ-INIZCTEOSA-N 430.457 2.237 30 10 IEEE C[C@]1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 1634260299 YRPMEUHJXOZTST-XUZZJYLKSA-N 434.496 2.343 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1634554930 MFMQALNIDANNLJ-MRXNPFEDSA-N 441.956 2.094 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 1637567466 KQYOGQUFHDEBGQ-SFHVURJKSA-N 429.521 2.144 30 10 IEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)CC1 1641040682 KIHJRDLGAZVOEJ-UHFFFAOYSA-N 443.363 2.080 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1642655408 MVVDWTZTASXWNX-UHFFFAOYSA-N 439.422 2.449 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccc(CC#N)cc3)CS(=O)(=O)[C@@H]2C1 1643632148 MRZLAMAMJSUKCV-GUDVDZBRSA-N 447.557 2.039 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2ccc(OC)cc2)s1 1644248627 LDPKTOIVEFQKBJ-SFHVURJKSA-N 436.555 2.364 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC#C[C@@H]2CCCCO2)cc1Br 1647808072 PCOBGSNAUKAPLN-AWEZNQCLSA-N 429.336 2.002 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)[C@H](C(N)=O)c1cccc(Br)c1 1653945401 YHIFNKWNACBYLP-SFHVURJKSA-N 440.297 2.207 30 10 IEEE C#CC[C@@H](NCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)c1ccccc1 1653965636 VFESVAAPIXFXKR-OAHLLOKOSA-N 439.493 2.341 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3cc(Cl)nnc3C2)CC1 1659163210 VFUKQVHPEYEALS-IBGZPJMESA-N 428.899 2.036 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1c1ccncc1 1659975893 YXKBYJBAAPKUBC-AUSIDOKSSA-N 436.535 2.140 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N(CCO)CCN1CCOCC1 1672209504 DXHTZNLTHKLIPF-UHFFFAOYSA-N 428.327 2.172 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)CC2)c1C#N 1682173361 BMZWJGGEIQJRBN-KRWDZBQOSA-N 432.569 2.436 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccc(Cl)cc1 1683507725 HTCDHSQUNSGYCK-HXUWFJFHSA-N 446.960 2.454 30 10 IEEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1683691700 IGXVSSVAPNNQRE-UHFFFAOYSA-N 425.576 2.214 30 10 IEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1689904336 SAHMGNDFUDTUKD-SFHVURJKSA-N 438.532 2.225 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1689942655 BHWCUTLWLXUCTF-HBMCJLEFSA-N 442.564 2.134 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1689972259 JHFWAOHQWSRRLG-QGZVFWFLSA-N 442.564 2.260 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(OC)C1CC1 1690013307 JUJAKYPZUMDCMW-XMMPIXPASA-N 430.512 2.080 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccccc2)CC1 1690013554 UERMOAHLDWCFOM-UHFFFAOYSA-N 440.555 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCSC1 1690035749 IRVIVTCFRWOLAM-JOCHJYFZSA-N 426.542 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)SC)CC1 1690136707 IKYYMERJCURTMP-UHFFFAOYSA-N 448.637 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)C2CCCC2)CC1 1690142883 WPVNPKXUKGKAQF-UHFFFAOYSA-N 437.592 2.124 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)n[nH]1 1693365028 GVFMNUQCKFUMRZ-MRXNPFEDSA-N 434.277 2.147 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)C1(OC)CCOCC1 1694699395 LCQQOWRLRFVDOJ-UHFFFAOYSA-N 448.474 2.206 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1698129082 JRKYNKNQGTZHMZ-LJQANCHMSA-N 448.612 2.367 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705516710 HPFXLKNTACNGIA-FHWLQOOXSA-N 437.610 2.429 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705517021 NMOSCUZSZURMTH-ROUUACIJSA-N 430.578 2.101 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705518724 PYESYENVAQUHDY-IBGZPJMESA-N 441.543 2.444 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705530006 MPHGMLLOPXXDCU-LJQANCHMSA-N 436.516 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1705573205 BONIQMPWUGLZNZ-QGZVFWFLSA-N 441.919 2.003 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705661669 HKPPQXZHNCLGPK-SFHVURJKSA-N 443.548 2.250 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC)cc1 1705667341 RMWBPXMISYMLKH-VGOFRKELSA-N 445.589 2.465 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705707634 OJDMFNUHDDBMPU-NXWNEQKCSA-N 431.537 2.029 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1705735228 LZKMOZIEPLUAGU-VQTJNVASSA-N 425.533 2.270 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705735954 YRKKLWDPTQDZTB-PMACEKPBSA-N 433.597 2.454 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705739194 XVMRSRRSNMMGQS-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1705883703 RNYYGMMNCYRKJA-INIZCTEOSA-N 440.504 2.038 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC2CC2)CC1 1705906362 BKVHPQVZZOICFI-UHFFFAOYSA-N 444.967 2.345 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705939268 BVKCZUCXQMTQCR-QGZVFWFLSA-N 432.598 2.385 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705943494 CGALDAZGHFHHQH-QGZVFWFLSA-N 432.594 2.130 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1Cc1ccc(C#N)o1 1706618398 SFEPYWQNNFTIGP-UHFFFAOYSA-N 440.533 2.102 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2c(C)nn(C)c2C)n[nH]1 1707768092 AGTAIVGMOCBRPV-UHFFFAOYSA-N 430.520 2.473 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)c1=O 1710189964 DWDFGWVNYVGJCD-LJQANCHMSA-N 432.484 2.046 30 10 IEEE CO[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1711563064 GUUQOCDTNKTJIK-VQTJNVASSA-N 439.564 2.436 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C[C@H](C)O1 1712302803 AULNUOZUBZONRG-WMQCIHAUSA-N 439.516 2.314 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CCOCC(F)F)cc1 1712878755 KSJRWCRNALSNBO-GOSISDBHSA-N 446.502 2.257 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1722333549 XCLKTPHPEYFVCY-OAHLLOKOSA-N 449.964 2.322 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OCC(F)(F)F)nc1 1722356433 GCQQVIUXZLRUBM-UHFFFAOYSA-N 436.438 2.049 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC1CCCCCC1 1722426263 FBSYSSKHUHTKIA-GOSISDBHSA-N 438.594 2.006 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)Nc1ccc(F)cc1 1722427210 LCNUQQBPWSBFSE-UHFFFAOYSA-N 439.495 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cc(C)no2)CC1 1722448626 FGAPSWXUCYRWJP-UHFFFAOYSA-N 432.528 2.488 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722481806 AYVWTYISXIJQDA-HOTGVXAUSA-N 440.386 2.380 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1722492446 SMBNBXBTSIELKA-NSHGMRRFSA-N 447.580 2.090 30 10 IEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1722595327 VZVBQSAFZLHMGS-OALUTQOASA-N 445.589 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)OC)C1 1722712555 VGEPUZPQLBXWRH-HZPDHXFCSA-N 434.566 2.054 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)cc(OC)c2)C1 1722719806 ACVSGGHSCAXOEA-SFHVURJKSA-N 429.496 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(C)on1 1722725437 LOBXSFBLOWWJLF-UHFFFAOYSA-N 431.518 2.487 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1723629013 DILCISBREOTFST-SBUREZEXSA-N 438.532 2.116 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1723772256 IXQBMNRYLATRGX-PBHICJAKSA-N 444.561 2.002 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)COCCO1 1727011115 XRURDVGQVFNAOZ-HTAPYJJXSA-N 425.537 2.190 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1729637252 GWAFBCCCFNIBGZ-UZLBHIALSA-N 430.459 2.203 30 10 IEEE COCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730700418 JXKUQDRYLVYNPX-QGZVFWFLSA-N 448.531 2.367 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1731094908 PTVQZPOZBOWIFY-HMWBCQRISA-N 427.534 2.131 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@H]2CCOC2)CCO1 1731189104 JWFHBVLQBBVEFV-SJORKVTESA-N 447.486 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740531168 GSQJECXVMMLGFJ-INIZCTEOSA-N 430.553 2.441 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCC(=O)N1CCOCC1 1740677460 KIJMAOUZBCAGNW-UHFFFAOYSA-N 448.502 2.368 30 10 IEEE C=C(C)COCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OC(C)C)CCOC1 1740799422 LSHZCBXRSLJBAO-QHCPKHFHSA-N 447.580 2.018 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OC(C)(C)O2 1740940522 JDWPIJDMXQLOBK-INIZCTEOSA-N 427.505 2.424 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1741015975 DXZAKZPLVSGPPS-FZEVHQGJSA-N 440.573 2.032 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1741992651 CBFWILHTOBKMCL-CVEARBPZSA-N 446.458 2.190 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1745521952 UJOMFHULNVLLPF-UHFFFAOYSA-N 447.547 2.126 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1747436660 DESKVVMCMDLRDX-IBGZPJMESA-N 446.577 2.357 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1748196377 IPMREJPOMUHQKV-KRWDZBQOSA-N 430.459 2.203 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1748875008 HUMNRVOPHGZJIS-KRWDZBQOSA-N 430.553 2.183 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)c1 1748934709 QPGWPQBTHDQGFB-HXUWFJFHSA-N 427.505 2.268 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCCC(C)(C)C2)CC1 1749009555 SSMJISASQKQRJZ-UHFFFAOYSA-N 437.592 2.361 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1749500790 FYXXNQVTWLCHMN-XXBNENTESA-N 441.532 2.397 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCn2cc(Br)cn2)C1 1749705270 HNAJVKHPBVZZBZ-OAHLLOKOSA-N 445.325 2.176 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)CC1 1749921165 MNKSZDIGRMVYTD-OXJNMPFZSA-N 438.532 2.289 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750468958 UGDKBOAJRGHOGV-HTXRYDERSA-N 442.564 2.398 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCc2cn[nH]c2)c1 1760126447 YZBHFJBYDCULBU-UHFFFAOYSA-N 426.484 2.362 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760155713 GXUZXUZKOGWKKP-UHFFFAOYSA-N 432.488 2.307 30 10 IEEE C#CCCCn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1[C@]1(OCC)CCOC1 1760159265 AWHXGGDLOCGNDS-NRFANRHFSA-N 443.508 2.290 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccccc2)CCOCC1 1760217635 IMBWCYXDXYVBLU-OAQYLSRUSA-N 431.540 2.441 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCC)CC1 1760268473 SDWDBFOFGIOVKW-UHFFFAOYSA-N 447.543 2.091 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1760299375 SKNOIDZWVDWQLS-WIYYLYMNSA-N 429.546 2.078 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@@H]1C 1760689452 XKQIPTNULYRIBI-SNUQEOBHSA-N 437.342 2.182 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1766933508 XHDQISWTCRUVFV-KRWDZBQOSA-N 438.454 2.162 30 10 IEEE CCOCc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767853970 IUYGCYPFPGKRHZ-VXPUYCOJSA-N 446.552 2.125 30 10 IEEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1768688657 BWKDNELIJWFOEK-GOSISDBHSA-N 440.529 2.470 30 10 IEEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N)OC 1769236375 YIDXENWHGIDCJW-TZMCWYRMSA-N 425.331 2.303 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1769275705 KBVXACGTYJKJNK-IBGZPJMESA-N 428.512 2.102 30 10 IEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1769475585 LDMKFTBTJCEDIM-XMSQKQJNSA-N 427.505 2.007 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1770785513 AXDAIJNZJROKCP-OALUTQOASA-N 426.496 2.392 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1771251992 DYZHQBCZSFHHRX-QHCPKHFHSA-N 441.532 2.254 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)C1 1771346117 OVIHQRGRHJIYKA-APWZRJJASA-N 429.546 2.257 30 10 IEEE N#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CC1 1848710241 NFYCSVYQLHTIDJ-UHFFFAOYSA-N 427.473 2.451 30 10 IEEE C=CCN(C(=O)c1cnn(-c2cc(-c3nc(CC)no3)ccn2)c1C)[C@@H]1CCN(C)C1=O 1850380552 WLYXQASIEJQVAE-QGZVFWFLSA-N 435.488 2.047 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)cnn3CC(F)(F)F)CC2=O)c(OC)c1 1852249944 RYRZCFOMKGPEAV-NSHDSACASA-N 437.378 2.326 30 10 IEEE N#Cc1c(NC(=O)[C@@H]2CCn3cnnc3C2)n(CCc2ccccc2)c(=O)c2cccnc12 1853204977 BYAQOUJCBRXYNJ-QGZVFWFLSA-N 439.479 2.303 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112046 PLVWKINZOCRPOP-QGZVFWFLSA-N 426.860 2.120 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706396 VONDVNOLZZCWOX-VOJFVSQTSA-N 428.397 2.268 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 1866581468 CUMRTBHGHKLTLS-ICSRJNTNSA-N 425.510 2.049 30 10 IEEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CC(COc4cccnc4C#N)C3)n2)cc1 1891444480 SIJHAWXWKXFJBH-INIZCTEOSA-N 445.479 2.284 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@H](C(=O)O)C(C)(C)S)Cc1ccccc1 1990680676 XPFGUXBVKFUJGE-QGZVFWFLSA-N 439.578 2.291 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060633357 MUYZNKZKINXWBL-CHWSQXEVSA-N 432.330 2.353 30 10 IEEE CN1CCN(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C#N 2060790668 SNUHTHVDHCNOMJ-GBXCKJPGSA-N 442.560 2.497 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)=C[C@@H]1O 2067765446 VNQRFQSMJGXGOT-SJORKVTESA-N 434.342 2.361 30 10 IEEE C#CCN1CCC[C@H](NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2083616533 AFCGWXVIKXCIBY-SQJMNOBHSA-N 440.588 2.370 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 2237392108 UOXJVFGGAPPKTK-CABCVRRESA-N 439.306 2.478 30 10 IEEE C=CCN(CC(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2244376809 XZWSIHBZOZJMIF-NRFANRHFSA-N 427.542 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H](CO)C1 2255378302 XZCLOXHOXAODHH-JKSUJKDBSA-N 433.358 2.411 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2255828830 HGVPAYKKSQCOKU-HUUCEWRRSA-N 432.326 2.482 30 10 IEEE C[C@@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255950753 TWWVVRXXAXOLHS-KRWDZBQOSA-N 446.378 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267110115 ZGIXJTNGUOKNGX-QHCPKHFHSA-N 446.353 2.088 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2267143283 GGHATKUKQSXNOQ-KKUMJFAQSA-N 446.357 2.084 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(F)c2)OC1(C)C 2267413639 DOYVTGVVUVQCSS-QWHCGFSZSA-N 442.218 2.113 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267588789 QWPBUMZWUJUASR-IUODEOHRSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267590579 QQGSTDZVDRTFTR-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267608928 ZMABOKUKKFIYPT-SFHVURJKSA-N 446.353 2.352 30 10 IEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268635582 STTOSIIBTXANIK-VKJFTORMSA-N 448.369 2.437 30 10 IEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268639260 MXMVTEFTBPAEMA-MPGHIAIKSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268642617 HABYRHJCAZAJIF-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@](O)(CNC(=O)OC(C)(C)C)COC 2278738445 WBYRYZOZBQLINJ-LPHOPBHVSA-N 427.339 2.291 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2303304673 WICIPAVHIPGNLJ-IJXRJRJASA-N 428.533 2.294 30 10 IEEE C=CCC1(N[C@@](CNC(=O)OC(C)(C)C)(COC)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2306171974 YYCHRXUEEMPWCT-NRFANRHFSA-N 443.541 2.136 30 10 IEEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)N(C)Cc1ccccc1 2315601556 GAOURXWVGQMNML-QGZVFWFLSA-N 426.370 2.360 30 10 IEEE Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324194727 QRWGWJXRLLEXON-UHFFFAOYSA-N 437.540 2.493 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)n1C 2337329152 YVSKBFFNVVJURB-ZFWWWQNUSA-N 448.373 2.155 30 10 IEEE N#C[C@@H]1CC(F)(F)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338906305 MRPFZAAFNRLIIN-AWEZNQCLSA-N 425.457 2.406 30 10 IEEE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 9803228 FFMRZONNVUPVOY-UHFFFAOYSA-N 429.498 2.315 30 10 IEEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(c2ccccc2)CC1 14160722 ZBPOYCREWGLRNJ-UHFFFAOYSA-N 427.578 2.204 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccc2F)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103117190 OIDRTGZOXLVDPE-LYHOESIGSA-N 430.388 2.165 30 10 IEEE C=C(Br)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 161363743 DDLJQKZQPQWATP-UHFFFAOYSA-N 446.060 2.176 30 10 IEEE COc1cc(CNC(=O)CSCC(=O)NCc2ccc(C#N)c(OC)c2)ccc1C#N 460569519 BBWQSZUSAQLRND-UHFFFAOYSA-N 438.509 2.113 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccco2)n1C[C@@H]1CCCO1 461136167 UMRYWGDOQYGLGQ-MJGOQNOKSA-N 448.531 2.212 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1C(F)(F)F 462680869 ACVWRKKSIZTZEG-UHFFFAOYSA-N 444.410 2.426 30 10 IEEE Cc1cc(C)nc(-n2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c(C(C)C)n2)n1 465502361 KYPQDZNXQBRVLH-KRWDZBQOSA-N 445.531 2.415 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1 483460233 PKWGFQWCFKVAGC-KIIKJBDPSA-N 427.526 2.003 30 10 IEEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497572771 HHGGANOTIJWRPE-INIZCTEOSA-N 441.509 2.070 30 10 IEEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1nc(C)c(C)c(C)c1C#N 504011656 WMPXNVHLNUPYCN-UHFFFAOYSA-N 430.555 2.468 30 10 IEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(CCC(=O)N(C)C)CC1 508792390 DWJQFZXLIJAOBB-UHFFFAOYSA-N 444.605 2.365 30 10 IEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508819551 ZNTXFSOJYPNFHS-FDDCHVKYSA-N 434.500 2.333 30 10 IEEE Cc1nsc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)c1C#N 514786044 PEZFBXUWWUMWNR-UHFFFAOYSA-N 440.934 2.259 30 10 IEEE CSc1nc(O)c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1C#N 535878806 YIVNNIYKBRVKCQ-UHFFFAOYSA-N 446.554 2.236 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 538646278 YWRVYGFGOWVUNZ-SFHVURJKSA-N 442.882 2.383 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)C(=O)C1 549685773 SEZSSUMDWOVJIM-GOSISDBHSA-N 431.924 2.444 30 10 IEEE N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1C(F)(F)F 549794808 VNUWVHZKWNHZAK-XJKSGUPXSA-N 425.407 2.199 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC)CC1 555088790 ITRQBOVMPXKVIV-IBGZPJMESA-N 426.565 2.479 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 559002836 PHDGPNCVIMCSMB-QGZVFWFLSA-N 425.541 2.290 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccc(F)cc1 559993001 BNDBEAWZVKLTGA-UHFFFAOYSA-N 433.508 2.097 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(N3C[C@H](OCC4CC4)C34CCOCC4)CC2)cc1 575316042 CCUURBYQVMVCNL-QFIPXVFZSA-N 445.585 2.371 30 10 IEEE CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 611172921 NHVIINKEDMTZGM-CQSZACIVSA-N 446.504 2.170 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1-c1ccccc1 611916247 XHJBSHSTKGUUQW-UHFFFAOYSA-N 438.512 2.229 30 10 IEEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 728576713 IGGLOZIGBAYOGD-UHFFFAOYSA-N 446.504 2.183 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H](C)CN1CCN(C)CC1 730140201 JIAMWWZRSIIFCX-YLJYHZDGSA-N 443.617 2.231 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 732944729 GNIJGGTVVXJXAT-UHFFFAOYSA-N 426.445 2.245 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(C#N)cc1 740191883 CKTKGXMFBMVWHI-HYBUGGRVSA-N 449.463 2.259 30 10 IEEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F)c1ccc(C#N)cc1 740215868 VYPSMROHJHYRJZ-GOSISDBHSA-N 434.445 2.455 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1 741712821 XSOMILNWCAOTAC-YLJYHZDGSA-N 431.583 2.473 30 10 IEEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 743735536 IPJSTOOBTVGMCA-MOPGFXCFSA-N 448.589 2.264 30 10 IEEE COc1ccccc1NC(=O)CN1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 749797929 LOYJSNADCCMNFQ-UHFFFAOYSA-N 445.527 2.348 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 763330150 QFJXRAKPABQNSP-CQSZACIVSA-N 428.942 2.041 30 10 IEEE C[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763379067 ABNSHACIXGYXIH-SBOQUQFBSA-N 434.537 2.302 30 10 IEEE C#CCn1ccc(CN(CCOC)c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)n1 788559324 QPKIBNKLRPFEGD-UHFFFAOYSA-N 437.891 2.245 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)c2ccnc(C#N)c2)C(F)(F)F)CC1 801086393 KGDDSVPYKCLOOV-OAHLLOKOSA-N 427.427 2.167 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cnn(C)n2)C1=O 807929333 UOCIKZCSTGNYEP-ZDUSSCGKSA-N 440.501 2.398 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nc(N)c3c(C)c(C)sc3n2)cc1 811834723 XGRHRIBBDGRIHX-UHFFFAOYSA-N 430.511 2.159 30 10 IEEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccccc3-c3ccnn3C)cc2)CC1 814220653 DQDVCRLEOOHRTD-UHFFFAOYSA-N 438.557 2.469 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC[C@H]2C1 817744518 LMIKSZZGMYZWBB-BVYOUEPQSA-N 432.521 2.008 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1cccs1 1084290617 YPKJJLRHHPPMKA-UHFFFAOYSA-N 445.530 2.392 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1=O 1128398525 OKUPSRVQDMJPBC-MRXNPFEDSA-N 443.363 2.248 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)OCC 1132418000 KCIKYURIXMLTBF-RISCZKNCSA-N 427.816 2.277 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1134422127 BZCGLRJJCLYRTH-KVSKMBFKSA-N 432.496 2.274 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1166609752 MIOKNAVJNOFUQE-FRRDWIJNSA-N 441.472 2.007 30 10 IEEE N#Cc1ccc2nc(NC(=O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)[nH]c2c1 1169189416 FLFLGMKTJDQDJX-UHFFFAOYSA-N 439.375 2.250 30 10 IEEE COC(=O)[C@@]1(C(F)(F)F)CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1190145343 HFHGOSYSHLDCSB-CYBMUJFWSA-N 441.225 2.437 30 10 IEEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1228797162 YUDQQRBJTIUIHA-LJQANCHMSA-N 429.517 2.221 30 10 IEEE N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1277257988 GUWZGZJKBOAFTO-JOCHJYFZSA-N 426.494 2.167 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccncc1 1286379011 BTNAYSIBGAMNOS-UHFFFAOYSA-N 429.572 2.350 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1286384287 HIEJVQDZDPYEPW-HKUYNNGSSA-N 440.573 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1286419138 NTZPDZWEJOMUGR-DVECYGJZSA-N 435.528 2.150 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1286444382 WJNJBBDCBLGKRL-DLBZAZTESA-N 430.553 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nc2c(s1)CCCC2 1286461383 RVEFWMREYVZXSB-UHFFFAOYSA-N 442.589 2.178 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(F)c2)CC1 1286492545 LRJLIEYAHRLSCT-UHFFFAOYSA-N 449.534 2.293 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286498864 BJGFANKMTRGAOT-HNNXBMFYSA-N 429.546 2.030 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286504247 PFGJADJPNCNACP-UHFFFAOYSA-N 425.562 2.083 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCC)CC1 1286505156 YZMBVCVXJHBISE-UHFFFAOYSA-N 427.578 2.234 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286624663 MDYXEAXZFSUNSA-INIZCTEOSA-N 425.880 2.042 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(=O)N1 1286766921 ZGMUDNXIUASLHP-GOSISDBHSA-N 426.521 2.065 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1290975888 HQETWXSUWFYNNO-OAHLLOKOSA-N 449.481 2.368 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1300365341 UUBBAYMTUNYFKE-HXUWFJFHSA-N 425.581 2.258 30 10 IEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300391489 OVPCWKIAPQUGQZ-QGZVFWFLSA-N 431.562 2.133 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOC(C)C 1300512752 MJDVJMDJASQOPS-UHFFFAOYSA-N 428.562 2.044 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1301339281 LFTQKOCKOIALJX-IBGZPJMESA-N 435.532 2.162 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1301375191 LFGMWIPQOFUVKS-GOSISDBHSA-N 446.533 2.456 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc([C@H]4NC(=O)NC4=O)cc3)CC2=O)cc1Cl 1301561222 AXADUGLAWSMRAF-FZKQIMNGSA-N 437.843 2.084 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301606247 LPYXGNJKAQFGHZ-GOSISDBHSA-N 440.577 2.373 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1301635366 OSFXWKAULJGVFL-HXUWFJFHSA-N 449.559 2.179 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nccs1 1301773661 HFHOAXCNVGOZHS-KRWDZBQOSA-N 437.529 2.259 30 10 IEEE C[C@]1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1303985564 XARQLPVWYNXUES-APWZRJJASA-N 448.321 2.242 30 10 IEEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCO[C@](C)(C#N)C2)C[C@@H](C)O1 1304193851 YPWVBUGZVQYGTJ-XCGNWRKASA-N 441.557 2.477 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)[C@H]1CCC[C@H]1C#N 1307991739 AHIDSYPTMJHUAM-PXNSSMCTSA-N 447.605 2.490 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)C1CCOCC1 1313043678 SWXMYEUNBQAIPL-KSSFIOAISA-N 427.314 2.467 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1314504242 XVUTVMJRGKHBFN-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1314706398 ACXGKVPDTYSZTH-SSEXGKCCSA-N 428.562 2.079 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1c(C)cccc1C 1316298357 VYKASVAJIMPMEH-ZJOUEHCJSA-N 441.532 2.427 30 10 IEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC(=O)NCc2ccco2)CCO1 1316538832 ATCFQKTXYFBBHF-FQEVSTJZSA-N 434.500 2.092 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccccc1 1354091916 OKWCHMWSHMXGSB-OAQYLSRUSA-N 441.576 2.212 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(N(C)C)nc2)CC1 1359031612 JBYRTOWFEZILNY-UHFFFAOYSA-N 446.515 2.118 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359052938 VVNOSCGWKTVKQK-MRXNPFEDSA-N 443.573 2.386 30 10 IEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1359117560 GXNJJFUMCSYPRW-ZACQAIPSSA-N 431.541 2.082 30 10 IEEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359190825 DVTISWYCOSJNQD-UHFFFAOYSA-N 428.581 2.104 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1359240397 NCZCYQHIAINRPD-CQSZACIVSA-N 438.937 2.275 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359296099 WZRQAGBIOGOSGP-QKKBWIMNSA-N 449.914 2.424 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359304623 DBHVEJPCAHLGIJ-KXBFYZLASA-N 429.496 2.302 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(C2CCC2)CC1 1456625205 LPSWIDOAKXAPEX-UHFFFAOYSA-N 433.574 2.439 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1457996917 QXXPVMNXSOXXRY-FCHUYYIVSA-N 437.537 2.486 30 10 IEEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 1458616512 BXCFRNPZQHMLMC-MRXNPFEDSA-N 440.930 2.153 30 10 IEEE C=CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[C@@H](C)COC 1461524630 VTEMTSDXWWYXHK-ZDUSSCGKSA-N 426.443 2.409 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)CC1 1465278307 FIMAMRWDHPENEF-ICSRJNTNSA-N 447.601 2.333 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 1471226292 HJANROFNTWCNEZ-UHFFFAOYSA-N 440.859 2.100 30 10 IEEE C[C@@H]1[C@@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCN1C(=O)OC(C)(C)C 1478402812 FVNTUFGXOZLDSO-WCVJEAGWSA-N 437.541 2.443 30 10 IEEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1501961203 CDLGFQLWFQAKMI-GOSISDBHSA-N 439.564 2.128 30 10 IEEE CCn1cc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)cn1 1502217300 BCKZKNNVSWKRMT-HXUWFJFHSA-N 448.531 2.089 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CC1 1502447538 RDQBUYKRLFUOKL-UHFFFAOYSA-N 425.537 2.483 30 10 IEEE CN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503499495 MKWQWFOXTBJNJG-ZJYNUGOYSA-N 442.545 2.396 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCOCC(F)F)c1 1505313624 BMPGLPNKMKNYPF-UHFFFAOYSA-N 445.474 2.092 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507628430 HNFMBABQCJYTIR-QGZVFWFLSA-N 446.548 2.406 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507630983 AKGNMMGXCZRNAM-WOJBJXKFSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507662821 OXFCEAKRGDQVOE-KRWDZBQOSA-N 441.513 2.141 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](COC)C1 1507743802 KAVWWOGOCATAOU-IBGZPJMESA-N 443.573 2.365 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507756706 LVDPJQGLTNEMRG-QZTJIDSGSA-N 444.513 2.346 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1507767863 IJRCGGBZHILLSQ-PGRDOPGGSA-N 443.573 2.121 30 10 IEEE C=C(C)Cn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836397 JPZHBERTMSLIOH-XUZZJYLKSA-N 441.576 2.362 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C(C)C)CC1 1507878045 RGFMNMBTBMAXMJ-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2CC)CC1 1507884390 HPAUWIATANGIQD-MRXNPFEDSA-N 432.594 2.243 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507968096 QBQNQHVEQYECDZ-CVEARBPZSA-N 445.486 2.270 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccsc1 1508093102 SXFYLWVTRVIOFI-UHFFFAOYSA-N 430.559 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(OC)OC)c2)C1 1508123243 LQTKBXABEAXIBO-RBUKOAKNSA-N 441.532 2.350 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1508167574 NQIBONKSLBVUQB-UHFFFAOYSA-N 446.577 2.246 30 10 IEEE CC[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1513096425 QSSGZIHHWRWKCL-GZHDQSLTSA-N 443.573 2.085 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C#N)cc1 1517627708 PVAMJMIZUHEVCP-UHFFFAOYSA-N 445.936 2.051 30 10 IEEE COc1cccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1518350592 IRQXBKNHHNSECF-VAMGGRTRSA-N 426.521 2.170 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1519165111 MYGPCIFAVFCWSV-SLFFLAALSA-N 448.612 2.426 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@H](C)O[C@@H](C)C1 1519404545 NALVFAQKILVTDP-DEPCRRQNSA-N 434.585 2.240 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)O3)C2=O)cc1 1534326313 SMGHXZQLMIHUAF-XHSDSOJGSA-N 438.406 2.379 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCO[C@@H]1C 1539301944 XLQSOBNDYTWWDR-HOYKHHGWSA-N 430.512 2.338 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1539370483 WOLMHAIRZOSDPF-LBPRGKRZSA-N 447.508 2.358 30 10 IEEE N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)nc2n1CCOC2 1539554294 WAXYJOQZEMHGDA-LLVKDONJSA-N 430.262 2.039 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1539649756 CROWXPSVOADRRW-ZWKOTPCHSA-N 426.631 2.411 30 10 IEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1539729487 QFOKNDIMPNTHKL-ROUUACIJSA-N 432.546 2.309 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539816828 GLWPLZUJRZLOND-INIZCTEOSA-N 439.969 2.388 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1conc1COC 1540054778 VWEVDTQQELEDIO-UHFFFAOYSA-N 446.533 2.000 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccco2)C1 1540895819 ACHHFAKUHVCNFS-WCIYBSDLSA-N 432.521 2.284 30 10 IEEE C[C@@H](CN1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1542160496 WHTNIKFFVIHMPZ-OLRQPGBRSA-N 436.578 2.186 30 10 IEEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1=O 1547199601 IRWMYLGXNQWUBW-HSZRJFAPSA-N 438.532 2.071 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(-n2cncn2)c1 1555728410 RCECCIJIGGPORQ-QRFRQXIXSA-N 436.520 2.227 30 10 IEEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1555922831 OEJIQMGICHZUPS-LJQANCHMSA-N 442.589 2.393 30 10 IEEE CCC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCN1CCOC 1561393551 HWMXHHDIHLXFIP-OAHLLOKOSA-N 430.368 2.442 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1585625044 LPVGDPQCCNFAOI-WGSUBKMSSA-N 435.402 2.108 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H](COC)OC)c1 1587689515 JTIBZJAPRPOQOE-LJQANCHMSA-N 436.516 2.001 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588049292 DTJCTLUCAIRWLA-ROUUACIJSA-N 439.541 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCO[C@H](C)C1 1588109402 DHRIZODWARSUPN-MOPGFXCFSA-N 430.516 2.199 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCNC(=O)C1CC1 1588550783 XUDHDAIZBGHUQV-IBGZPJMESA-N 425.508 2.477 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(Cn2cccn2)cc1 1588629127 YOSOSVBJXLBKID-UHFFFAOYSA-N 428.500 2.114 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)CCOC)CC1 1588806277 LUARXCLAEWEVSB-UHFFFAOYSA-N 449.559 2.412 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1589048037 RUVCKKLNMCTHLT-UHFFFAOYSA-N 442.570 2.141 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N(C)C 1595109296 WMHZBJRDGLJOHP-UHFFFAOYSA-N 426.546 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1595500768 FCPLHHTZWWKVJC-FQEVSTJZSA-N 433.560 2.431 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC)[C@H](C)C1 1595785402 ZLFJKHCGTXKPIO-QGZVFWFLSA-N 433.578 2.085 30 10 IEEE CN1CCCC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1=O 1596924541 DDSYQMYOXUSLOB-GREXYARLSA-N 434.562 2.477 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1597813590 ZDFXGQZXGRSYFL-GOSISDBHSA-N 432.571 2.205 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1610313015 GFFKPMUKDRBSKA-SJORKVTESA-N 446.577 2.291 30 10 IEEE COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)cc2)CC1 1616835989 LHACYMRNPSLCET-WCIBSUBMSA-N 425.460 2.342 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCN(c2ncccc2C#N)CC1 1629068612 JDFUTUXKUXBVCC-LJQANCHMSA-N 436.516 2.133 30 10 IEEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)C(=O)OC 1629617824 ZWBUDVRSXCQQNR-DNVCBOLYSA-N 426.494 2.121 30 10 IEEE C#CCN(CC(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)C(=O)OC(C)(C)C 1631247882 DJXKDQDVYDKULX-UHFFFAOYSA-N 426.477 2.357 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H]1Oc1ccccc1 1633620267 IPMLJRAQDKMWRS-VAMGGRTRSA-N 432.473 2.478 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC2(c3ccc(Br)cc3)CC2)c1 1638859897 FLSJLGRUUNFUGZ-UHFFFAOYSA-N 434.315 2.405 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(CCN2CCOCC2)CC2CC2)C1 1642150198 KBZHBEHDKGLIJN-UHFFFAOYSA-N 447.377 2.328 30 10 IEEE CC(=O)Nc1cccc2c1CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 1642620464 MXHGDLIIZBUCOG-UHFFFAOYSA-N 426.498 2.035 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1cc(F)cc(F)c1 1646513248 MYDNYTZBUKYTIG-QGZVFWFLSA-N 449.479 2.417 30 10 IEEE C#CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 1651075746 XXROJFFVGWBDPO-UHFFFAOYSA-N 431.470 2.240 30 10 IEEE COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1655218139 WQUPXBYHIKHFEY-SIKLNZKXSA-N 434.968 2.096 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2Oc2ccccc2C)CC1 1684129301 BUZPKWOBOLYTQT-UHFFFAOYSA-N 442.541 2.082 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)nn(-c2ccccc2)c1C 1689998749 VKCMZOLBTJHOPH-UHFFFAOYSA-N 441.539 2.438 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC[C@@H](C(F)F)N1CCOCC1 1690011445 OWFLCAGZPWKRLS-IBGZPJMESA-N 443.498 2.383 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C(C)(C)C)no1 1690095685 ZLUVZSBQECLFJE-QFIPXVFZSA-N 431.537 2.350 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2[C@@H]2C[C@H]2CF)CC1 1690152567 POEKLUZWCUSZNJ-ZWKOTPCHSA-N 441.507 2.362 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690167747 ORKGCSUKUZWCMS-OAQYLSRUSA-N 439.633 2.311 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC#C)CC1 1690169458 CJAUIQBWUPQZHA-UHFFFAOYSA-N 431.569 2.252 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690594767 FMLVYQIVSKPJQN-SFHVURJKSA-N 431.562 2.241 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1690682054 CLHAYAMUAVIPTG-UHFFFAOYSA-N 448.527 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C)s1 1690714088 DSBFBWUUSDMZAD-UHFFFAOYSA-N 425.580 2.023 30 10 IEEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cs1 1694600316 GYAFUWCFBZWMMK-OAHLLOKOSA-N 434.591 2.377 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1697045841 UMJJHQBNCNAGIW-UHFFFAOYSA-N 438.532 2.368 30 10 IEEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1697952950 AABHCFLUZNTZLK-AWEZNQCLSA-N 436.438 2.358 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1705502667 IDIZAAFGFCCYGE-PMACEKPBSA-N 439.560 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1705598500 KVHBQXWEYZTNLV-MZKRTTBSSA-N 445.633 2.154 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705804457 BHZQRTMRDMMMSR-HDICACEKSA-N 448.593 2.445 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705828760 YAOSEYBYSYHMBW-GOSISDBHSA-N 435.532 2.390 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCNC(C)=O 1705858193 RNSPHPDXKFKPJN-UHFFFAOYSA-N 435.532 2.105 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C#N)C1 1705896199 DZMZFZXKXNGABB-INIZCTEOSA-N 426.546 2.306 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CC(=O)NC(C)(C)C 1705898976 DPFXYVLTQJWESP-UHFFFAOYSA-N 435.532 2.146 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccncc1 1706072388 CHEHOYSINFYZDU-MRXNPFEDSA-N 438.561 2.472 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1711162833 JMVLJMZOJHTBEV-HKUYNNGSSA-N 438.532 2.116 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)OC 1712152504 DFSOQLRUBWCKEC-OITUCODZSA-N 441.532 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H](C)CN1CCOCC1 1722304154 WYYFQHRUAXSXPS-RBUKOAKNSA-N 427.549 2.292 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722370579 OWSBINHOQUWCOZ-AZUAARDMSA-N 444.557 2.008 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1722436107 XEYCPVUKPUWRQL-OAQYLSRUSA-N 429.528 2.468 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCC(C)(C)C1 1722448281 PSAGBPOFQZFPCV-UHFFFAOYSA-N 442.564 2.214 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1722698216 WVPJKNYUAQUSBH-INIZCTEOSA-N 435.532 2.213 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1722699666 XCLQGPLHOXJYMI-IBGZPJMESA-N 425.533 2.477 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1722713799 DRHIXFHZDFMNSA-IBGZPJMESA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)=C(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731187 GEMDZCRXCWYEKQ-OAQYLSRUSA-N 438.594 2.466 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740624274 HOKNHOKMJXJBCF-WOJBJXKFSA-N 433.622 2.122 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1([S@@](C)=O)CCC1 1740635853 RVIINFLGXXXFOT-SSEXGKCCSA-N 426.542 2.336 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1740640911 ZCIHVMHSYATVIF-MOPGFXCFSA-N 443.548 2.086 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc([C@H](C)O)cc1 1740684602 WBERAQNONNVRDU-INIZCTEOSA-N 437.500 2.193 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1740689118 ZWLDHCKGLIEMAU-HXUWFJFHSA-N 445.527 2.274 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740760726 KQKMRAPLZBJBCF-LNLFQRSKSA-N 439.626 2.366 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1740958632 RZJBAVFFYJLOQB-MOPGFXCFSA-N 438.532 2.272 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1741132306 HBLASGPLMAGFAC-OAHLLOKOSA-N 428.500 2.488 30 10 IEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C[C@H]1C 1746445905 GRLWUFIVSUHCQZ-LJQANCHMSA-N 437.592 2.194 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1748743971 RMKIDFOYGVHOSM-HSZRJFAPSA-N 436.516 2.182 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1748745229 JNXZKEAOJACTFN-OAQYLSRUSA-N 446.555 2.315 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC(C)C)NC(=O)OCC 1748765566 LQKZDUSYBLMBRS-INIZCTEOSA-N 427.509 2.156 30 10 IEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748806149 ZTCDOWAWNCJJOM-SJLPKXTDSA-N 438.594 2.065 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1748945268 ORQNILULEVQXNF-KRWDZBQOSA-N 439.520 2.411 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@@H](O)C2)n1 1748971079 CBVMZEPZKQUIDM-CEWLAPEOSA-N 442.564 2.163 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1749146834 ONVQIABZICFFCV-UHFFFAOYSA-N 441.561 2.337 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1749487400 CREYPQYXDVLKLJ-RDJZCZTQSA-N 449.602 2.123 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCc2c(ccnc2O)C1 1749678228 ZTGQEIVMALBNQQ-UHFFFAOYSA-N 434.500 2.131 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1749689265 GJFIGESGOLMVAJ-FDDCHVKYSA-N 443.548 2.413 30 10 IEEE COCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749713409 XRIFWKKXQWNFCL-HNNXBMFYSA-N 434.342 2.249 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1751174481 BMMAFPYPDLNXDT-SJLPKXTDSA-N 441.536 2.153 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1760105678 SNPWQWUFMSXRJY-OAHLLOKOSA-N 434.500 2.353 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1760166832 ROKPEJKHBXYJGS-HTXNQAPBSA-N 428.855 2.333 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760185844 FLYYKGDEBIDYKX-MSOLQXFVSA-N 433.578 2.143 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1c(CC)nn(C)c1OC 1760288543 GDQFISJYOBPDKN-KSFYIVLOSA-N 430.553 2.347 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760289143 IKRIDKWOBRILOY-CNRFCZHISA-N 446.511 2.472 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1760299035 FCPUVACYFYHKFW-IMRHEYAYSA-N 445.564 2.494 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1760314334 VHYIXQMTNVBKMW-WMLDXEAASA-N 435.960 2.421 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1760333494 GHZQQTUTWYFRNO-DEYYWGMASA-N 433.944 2.234 30 10 IEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760533846 NILCRAKJUZYAQK-GOSISDBHSA-N 434.562 2.441 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)cc1 1761825882 CBCPDGRLUVFNGK-UHFFFAOYSA-N 438.532 2.154 30 10 IEEE CCc1nc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 1762797597 AKMLCOUXFCLXFN-OXJNMPFZSA-N 432.550 2.115 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1)OC 1763441415 ALLWENNKVFZDFE-FXAWDEMLSA-N 440.548 2.173 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1766715317 RVOQRUYIVDGNHB-MRXNPFEDSA-N 441.561 2.419 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CC1 1768213891 FYZBIRYZJIUHHY-VFNWGFHPSA-N 431.562 2.237 30 10 IEEE COCC(C)(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1770696169 NQXLBIQHLCHXJY-HNNXBMFYSA-N 430.509 2.187 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[C@H]2COCCO2)cc1 1770740317 NQRHGTGQZZRMLL-IRXDYDNUSA-N 437.422 2.390 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1771347107 AVADEYOMXAZCQS-PKOBYXMFSA-N 443.573 2.381 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C2(CCOCC2)C1 1772787351 GIEKMXMOSDMDPY-INIZCTEOSA-N 430.457 2.405 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1 1850019215 NMVTVVPNOGRUBE-UHFFFAOYSA-N 439.466 2.336 30 10 IEEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 1852451425 DRUYFGFGIMJQDM-LEWJYISDSA-N 438.528 2.012 30 10 IEEE COCCN1C[C@@H](C(=O)Nc2c(-c3ccc(Cl)cc3)cnc3c(C#N)cnn23)CC1=O 1852585038 QXOGLRJDYLPNEO-AWEZNQCLSA-N 438.875 2.355 30 10 IEEE COc1ccccc1S(=O)(=O)C[C@H](COc1ccc(C#N)cc1)OC[C@@H]1COCCO1 1853358949 LPRFQEPLIJNOHA-PMACEKPBSA-N 447.509 2.220 30 10 IEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870109170 LPMMVHZYQIBJSI-GOSISDBHSA-N 430.468 2.194 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664994 HPNNVODYLCAAKY-UHFFFAOYSA-N 437.548 2.070 30 10 IEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(NC(C)=O)ccc3C)CC2)CC1=O 1872917921 NVQXRRGBAVRBEI-SFHVURJKSA-N 426.517 2.165 30 10 IEEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCO)CCO)n2CCOC 1875225441 GHLLDOYHOZVNOB-UHFFFAOYSA-N 435.569 2.277 30 10 IEEE Cc1cnc2n(c1=O)C[C@H](C(=O)NCC#CCOc1cccc(C(F)(F)F)c1)CS2 1890685871 YPGLJBJFLBYNKL-AWEZNQCLSA-N 437.443 2.491 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1985991381 NTRGRUTVJBMNJJ-RNODOKPDSA-N 427.498 2.036 30 10 IEEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1990493633 DAHJRWAARJJDGR-ZACQAIPSSA-N 425.574 2.309 30 10 IEEE C=C(I)CN1CCNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 1992158959 FHHWFLWNUZRMBM-UHFFFAOYSA-N 435.306 2.137 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010225184 NDJCHCBEROYRLE-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE COCC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2010547132 RRDBCNMOGRXEAH-IBGZPJMESA-N 428.533 2.106 30 10 IEEE C=CCN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C 2015023722 JPPQHVJJCHVRJQ-LSDHHAIUSA-N 441.525 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](O)Cn2cc(Br)cc(C#N)c2=O)C1 2096020391 FWLJMPOFVDKNFY-SWLSCSKDSA-N 426.311 2.490 30 10 IEEE C#CCn1ncc(NC2CC(COC)(NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162323040 FHOGBRVHNMZMRG-UHFFFAOYSA-N 441.326 2.123 30 10 IEEE C#CCn1ncc(N[C@H]2[C@@H](OCC)C[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2162352745 QFBLYLKCTNMRIU-OSAQELSMSA-N 441.326 2.122 30 10 IEEE CN(C[C@@]1(C)COCCO1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2174269485 PTDXWOFBSTXCRT-SFHVURJKSA-N 427.148 2.385 30 10 IEEE C=CCN(CC(=O)NCCn1cnc(I)c1)C(=O)OC(C)(C)C 2211763920 WXVHVHAWZKTTPN-UHFFFAOYSA-N 434.278 2.027 30 10 IEEE CN[C@@H](C#Cc1ccccc1Br)[C@](O)(CNC(=O)OC(C)(C)C)COC 2227476460 YCFLHIUFDXHGIX-LPHOPBHVSA-N 427.339 2.291 30 10 IEEE C=CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2241756779 MACVNRSGACMRLW-HXUWFJFHSA-N 446.525 2.472 30 10 IEEE C=C(CS(=O)(=O)NCC1(C)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243417503 UFJBVJXARJKPOQ-UHFFFAOYSA-N 430.376 2.350 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248405161 RRXFEWMCTXKYGH-AWEZNQCLSA-N 440.371 2.203 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255598444 WTJMKZHDVRPTSV-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE Cc1c(C(=O)N2CCCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255631591 BBFDIHVEEAWDIL-UHFFFAOYSA-N 434.346 2.416 30 10 IEEE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255950817 UXLVWAITBXJGKU-OAHLLOKOSA-N 446.382 2.104 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2256926548 BGKXGPLXWBGGSB-KSSFIOAISA-N 428.294 2.102 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2258228816 DWKDSILARDCXEF-UHFFFAOYSA-N 426.244 2.269 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267003313 NAHZZMHWWLCBKX-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267004251 BYLDZMLUMOYYGS-VQIMIIECSA-N 438.381 2.421 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2267133448 CDCLAEDGCBSSFK-SHTZXODSSA-N 448.373 2.235 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccn(Cc3ccccc3)n2)n1 2267148811 FAQWTCTVZDTHFZ-UHFFFAOYSA-N 435.337 2.377 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2267188741 QFYPOTVYKWBITB-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cn1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267532250 BTDPMDQVDOEZOU-UHFFFAOYSA-N 438.381 2.361 30 10 IEEE CO[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2268647103 XHENEXFPUTVNKH-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE N#Cc1ccc(Cl)c(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270539063 AXNBEAVRGOLPFT-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccc(Br)cc1 2278789289 GXTNFHXXAFSVHY-APWZRJJASA-N 427.339 2.420 30 10 IEEE C[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCCN1C(=O)OC(C)(C)C 2337204370 KKTPJDZDBVHKMX-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE C[C@H]1C[C@@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N(C)CCC#N)cc3c2=O)C1 9495521 JHPBHRPXXTWBEB-GASCZTMLSA-N 430.530 2.180 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3C(=O)NC3CC3)cc2C1=O 9702404 MVWZZAIDWUIROD-UHFFFAOYSA-N 447.447 2.156 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 29076381 RGKICRXRNSZRJY-KRWDZBQOSA-N 439.537 2.347 30 10 IEEE CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cc([N+](=O)[O-])ccc2F)[C@@H](C#N)C(=O)N3)CC1 72445443 FPIVTMJDDARDBJ-HIFRSBDPSA-N 426.408 2.277 30 10 IEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2sccc2C)[C@H](C#N)C(=O)N3)CC1 101442567 VLZHNXGRACATEU-UONOGXRCSA-N 441.513 2.143 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CCOc1ccc(S(N)(=O)=O)cc1 433037579 BXKJQSVTFDYHMW-CYBMUJFWSA-N 448.570 2.094 30 10 IEEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1 447365076 FQKGWLCBDMSOET-UHFFFAOYSA-N 449.511 2.359 30 10 IEEE CCOC(=O)COc1ccc(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 462090933 LLSMVTMFSTWBTD-UHFFFAOYSA-N 434.456 2.445 30 10 IEEE Cc1ccc(I)c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472280665 RUCXICNHWIOQPQ-UHFFFAOYSA-N 449.296 2.476 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(Cn4ccnc4)cc3)C2=O)cc1 487056543 CURZJFGYDOBTNE-JOCHJYFZSA-N 428.496 2.403 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1 488979899 UXGVQXMINAMYIL-UHFFFAOYSA-N 437.518 2.009 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCN3c3ncnc4ccccc34)C2=O)cc1 490234515 ANGOLCJNYGUNSL-FCHUYYIVSA-N 440.507 2.388 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 505655253 FDKVNUCHLUNGHO-RBUKOAKNSA-N 426.542 2.262 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508872600 KEFVMXVVOIKHPC-HXUWFJFHSA-N 438.576 2.219 30 10 IEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508956190 NPYIBPRKAYTTGY-KSFYIVLOSA-N 428.489 2.164 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 515570919 OWGOTOMIKYRZEI-LPHOPBHVSA-N 443.525 2.099 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c2=O)cc1C 518718234 FJCXAKXGYRGZKR-UHFFFAOYSA-N 427.570 2.219 30 10 IEEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cn(-c2ccccc2)nn1 541689886 LOSFWNJHMLMEMW-MBSDFSHPSA-N 447.518 2.466 30 10 IEEE COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 544842376 DTNVQYCPLNYOMS-UHFFFAOYSA-N 437.319 2.235 30 10 IEEE Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 544865516 NTURVFLGMRAWKQ-UHFFFAOYSA-N 429.484 2.101 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@H]2CCCO2)cc1C 561702243 RZURAZSRJJUCCW-HXUWFJFHSA-N 445.544 2.487 30 10 IEEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 577501587 BIXUTDMFWDZQNQ-UHFFFAOYSA-N 432.477 2.249 30 10 IEEE COc1ccc(C[C@@](C)(O)CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC 584439779 MFSOSRCRVHNCGH-JOCHJYFZSA-N 436.472 2.271 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC1 607621494 GFGVEOUXPATAOR-UHFFFAOYSA-N 435.956 2.320 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccccc1 609219814 ADMFBPYVABIRDI-UHFFFAOYSA-N 435.524 2.435 30 10 IEEE COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)c1 609413328 AXMOUSMALBUERL-KRWDZBQOSA-N 442.541 2.062 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1ccnc(C#N)c1 610956710 UJNTUJRHZKXQDD-UHFFFAOYSA-N 429.546 2.432 30 10 IEEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 614902984 RTDDBQFGGMLOIO-MRXNPFEDSA-N 437.546 2.240 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)CC(=O)N2C)cc1 734925171 YCZGNNOOXDJYAI-JXFKEZNVSA-N 425.441 2.478 30 10 IEEE COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742704887 SGGUDOINRIEWOJ-LNHNDHHWSA-N 427.526 2.359 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 744007330 GOPXOMPGMFZROT-UHFFFAOYSA-N 425.422 2.244 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@H]3C2)c1 750267487 WSNYSBBGGNCYOR-WYTGLPIOSA-N 432.546 2.087 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cn(C(C)(C)C)nc1Br 766985340 ABLCUNQYVHAQHK-UHFFFAOYSA-N 441.307 2.400 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 771540437 JFKRIYWDEPWDAZ-SFHVURJKSA-N 449.540 2.206 30 10 IEEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 773579433 YVTLONSBIAGKNA-GDBMZVCRSA-N 430.509 2.122 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)c2)o1 779211882 DHCPOWWXILWNNV-UHFFFAOYSA-N 426.454 2.224 30 10 IEEE Cn1ncc(Br)c1/C=C\C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 782302791 JABGDUXRIQSJCA-SREVYHEPSA-N 440.319 2.100 30 10 IEEE C[C@H](c1cccs1)n1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782726659 JKCITQFHIWAIQP-SNVBAGLBSA-N 446.355 2.103 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 794894525 YSMWLSMFEVUWSQ-QRQLOZEOSA-N 436.892 2.094 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 805036634 MDJKKZXKYZFVMB-WFASDCNBSA-N 441.303 2.427 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2cccc3c2CC(=O)CC3)c1 810626907 VLSIHZGGVIECIW-UHFFFAOYSA-N 433.283 2.497 30 10 IEEE Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)cc1S(=O)(=O)N(C)C 914679819 JQVCNEJDJNEGLM-OAHLLOKOSA-N 445.497 2.066 30 10 IEEE CC[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)n1nnc(-c2ccc(Cl)cc2)n1 916775179 MVNHWWZMQMUQNI-KRWDZBQOSA-N 444.904 2.462 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1128906008 RWGVRNVQIVTNBB-OLZOCXBDSA-N 449.392 2.371 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)C2=O)cc1 1140112219 VPEOSDMOGCAXNV-XXBNENTESA-N 433.468 2.034 30 10 IEEE Cc1cccc(N2CCN(C(=O)Cn3cc(C#N)c(I)n3)CC2)c1 1189591461 BKCCJFINJVINEN-UHFFFAOYSA-N 435.269 2.017 30 10 IEEE C#CC1CCN(CC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)CC1 1195464357 UCTRMUZGTXTRCS-UHFFFAOYSA-N 437.544 2.210 30 10 IEEE CCc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ccsc4C#N)CC3)C2)ncn1 1221821084 GRRVBUNLJVNARI-QGZVFWFLSA-N 425.562 2.473 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)CCO2 1248652242 YSARCKRCSLUZMP-ZPGVXSSASA-N 440.544 2.276 30 10 IEEE Cn1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(-c2ccccn2)n1 1253022817 GKRDSMPYRJOHEJ-QGZVFWFLSA-N 429.440 2.197 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1286391292 CIMPPVXWUMKDBT-IBGZPJMESA-N 428.558 2.470 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)NCC(F)F 1286422534 AQEHBLCJMWEKBV-UHFFFAOYSA-N 435.862 2.451 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCNS(=O)(=O)CC 1286423593 MONSUMHZBYLERL-UHFFFAOYSA-N 433.965 2.391 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1286471161 HEPOSZCAZUSDHE-FDDCHVKYSA-N 443.523 2.118 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1286797717 ZUSOXGPFYDMVPV-UHFFFAOYSA-N 433.578 2.362 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1287128581 GGCWNBJSOQCZIJ-UXHICEINSA-N 449.559 2.226 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@](C)(C(N)=O)c3ccccc3)C2)C1 1294686187 HUSKJYTTYPJIEU-UYQKFFLOSA-N 426.517 2.290 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1300409272 GVKHUEBCEPZKCX-OALUTQOASA-N 430.578 2.248 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1300487052 DZXSYNXHKDVHGK-INIZCTEOSA-N 431.468 2.226 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300534688 DEOKYTDCSCJASD-QFIPXVFZSA-N 447.587 2.178 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300570590 TUIXOBBXYFCPMP-SFHVURJKSA-N 432.450 2.066 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1300778627 BOAQDEHROCOQSN-XMMPIXPASA-N 434.544 2.165 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(CC)CC1 1300820028 YIXIBCHLFQCGMX-IBPRQYQWSA-N 444.624 2.020 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300845180 UUDBDPKXCYCVDB-SJORKVTESA-N 440.386 2.239 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1301154159 KFVGITBRQWAGTG-IBGZPJMESA-N 427.549 2.431 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301492522 JNYNORDQGOXISO-QFBILLFUSA-N 441.532 2.270 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(C)=O)CC2)cc1 1301529124 GYZQFBKNPITJCI-UHFFFAOYSA-N 449.559 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301569186 SALRJZOGJRVZEO-HZPDHXFCSA-N 441.598 2.496 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1301612985 SLNGWETZLLKJMU-WOJBJXKFSA-N 434.654 2.308 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1COCCO1 1301808970 JRIVIRWRAVGQEB-IPMKNSEASA-N 435.569 2.369 30 10 IEEE CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1302533997 FUTUCUFQBAJQIJ-KRWDZBQOSA-N 439.589 2.464 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2CC(F)(F)F)cc1 1302994390 MBSQMBIIKFSCOC-UHFFFAOYSA-N 444.421 2.408 30 10 IEEE C#CCN(C(=O)CNC(=O)Cc1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655401 CUUXTOZRWSFANT-UHFFFAOYSA-N 431.508 2.346 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)CC1 1303941579 DFTPUUXNAONZCQ-MSOLQXFVSA-N 448.593 2.097 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCCN1CCOCC1 1304853669 XDQDNOUHYDJGJV-UHFFFAOYSA-N 427.528 2.036 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1cnnn1 1305522664 KBQXRYICMJKQEL-MRXNPFEDSA-N 438.515 2.206 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)nc1O 1312307626 CHNUPWNGKATQHF-ZBFHGGJFSA-N 435.406 2.475 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1314636364 GJDWJTQDPJKDCY-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1314682103 LFZAYUFFMKYKFB-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C(F)(F)F 1315172716 CBLIJKYVZAHQCL-HOTGVXAUSA-N 436.438 2.486 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1316274177 NWVDZHWQVLARSR-VHTOSUDKSA-N 441.532 2.050 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@]2(O)CCOC2)cc1 1316529405 DMFYCINOMFOXNK-FQEVSTJZSA-N 449.433 2.316 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCn2cc(Br)cn2)CCO1 1316538051 GOPQBJYJGCMZPT-CQSZACIVSA-N 446.284 2.472 30 10 IEEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 1317764481 TYKHNCKCRFSUDF-OAHLLOKOSA-N 426.267 2.491 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1358999356 OGXUGSQMTZXXQQ-ROUUACIJSA-N 439.564 2.273 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1359055154 UKUODSOUFPXJEQ-NRFANRHFSA-N 437.504 2.000 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359309892 GUDDXRWOJJSUMM-QHCPKHFHSA-N 435.532 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1359328630 KBGBSKUWAORFEV-FQEVSTJZSA-N 440.573 2.092 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359454960 AUGJALSPUVHPQI-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359655129 PNCIZDBEYNGOAG-NPPFBWRTSA-N 441.488 2.250 30 10 IEEE CC(C)(CNC(=O)COc1cccc(Br)c1C#N)[C@@H]1COCC12OCCO2 1436661106 HKJMYXGHNRSAEC-INIZCTEOSA-N 439.306 2.231 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)NC[C@H]1C(C)(C)C 1439652561 CKTONEYGVXFLBA-HNNXBMFYSA-N 438.322 2.471 30 10 IEEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cccc1N1C(=O)CCNC1=O 1448333203 PHUSVAGPWBYJAA-UHFFFAOYSA-N 444.444 2.130 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1449753667 WQNRFUQOEITDNB-AEFFLSMTSA-N 428.470 2.143 30 10 IEEE O=C(CCCOc1ccc2c(c1)OCO2)N(O)CCCN1C(=O)c2ccccc2C1=O 1458003084 NTWWMVKKMWOBNT-UHFFFAOYSA-N 426.425 2.478 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C)C(=O)OC 1467516652 UWDMIGHVYCKYDP-MOPGFXCFSA-N 445.516 2.464 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3occc3[C@H]2C(=O)OCC)ccc1F 1470132376 MHXSGMVDHWZHCP-SFHVURJKSA-N 436.461 2.186 30 10 IEEE COc1nsc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1Br 1470351663 NYYPAMGKDFXXAI-UHFFFAOYSA-N 448.295 2.281 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)nnc1-c1ccco1 1470543272 LWFUVYPVNRVUHC-OAHLLOKOSA-N 432.550 2.421 30 10 IEEE C=CCC1(NS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CCOCC1 1475473890 KCORJLOGCPAIGO-IBGZPJMESA-N 438.546 2.069 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)OC 1500141876 FRBDAVQEGRTDBE-CVDCTZTESA-N 438.532 2.403 30 10 IEEE CCOCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1503166043 AJAUCLQKAKOCPM-UHFFFAOYSA-N 439.564 2.431 30 10 IEEE COc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(C#N)o1 1504437080 ANKKMNSOZHMFMV-HNNXBMFYSA-N 436.472 2.046 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1507518964 OORFMGOSVIWSHU-VGOFRKELSA-N 446.573 2.228 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1507538354 LPIVLZIPCNGUTN-SJORKVTESA-N 433.553 2.350 30 10 IEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507746883 CHROVHQSVDIEFP-UHFFFAOYSA-N 444.580 2.097 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1507957149 LLCLOLBMOFARFY-QGZVFWFLSA-N 426.521 2.052 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F)C1CC1 1507993698 SXNFDLICEDQVBE-AWEZNQCLSA-N 435.516 2.219 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1508075940 QWGIRUPJEAYDGM-YESZJQIVSA-N 432.569 2.397 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508556812 FVRINYMJTZAVBU-ZVDNPCSMSA-N 442.564 2.256 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC=CCO1 1509667054 XAZSLUDTXSHXBF-FQEVSTJZSA-N 449.559 2.350 30 10 IEEE CC[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1513558799 AZFFJYJQWOKNNJ-AINLKENTSA-N 435.532 2.417 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(CN4CCCS4(=O)=O)c3)CC2=O)cc1 1532106107 QRLUURQMKOQYLP-SFHVURJKSA-N 438.509 2.085 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1F 1539258149 QZQZEADTQZCMQI-UHFFFAOYSA-N 436.516 2.498 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1539371737 YEOMUAOFNXQLBC-QFBILLFUSA-N 430.530 2.075 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1cccs1 1539417169 YEULDVPJIVYIHW-IRXDYDNUSA-N 436.603 2.207 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ncccc2N(C)C)CC1 1539453581 AHDBXLRYXSZXEP-UHFFFAOYSA-N 429.572 2.328 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539617451 WMOVGVJVAVGXOL-UFYCRDLUSA-N 446.596 2.347 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1539632730 TUDWJRORSJEZFX-YVSFHVDLSA-N 426.608 2.103 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1540863224 RLLPLKDMBSATME-HUUCEWRRSA-N 446.939 2.075 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccs2)C1 1540881311 FPRHPAPRSDFQBB-HRAATJIYSA-N 431.562 2.265 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1540909125 YVGBGONSRSLPHJ-JXXFODFXSA-N 439.557 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1 1542978732 WNPDHXPUZBJVTM-SGRLSNSRSA-N 442.516 2.155 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 1543969686 XVPLNGFWTNQFNP-NRFANRHFSA-N 428.577 2.357 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)COc2ccc(C#N)c(Br)c2)C1 1544006719 OOMSXHQUEDJBPV-UKRRQHHQSA-N 438.322 2.089 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCn3ncnc32)cc1 1544855131 LPXSHRFVRSYCCE-QYODFIHFSA-N 430.534 2.387 30 10 IEEE CCc1nnc(N2CCC[C@H]2c2ccc(COC)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1546510912 PMLSGDLGCSFBKZ-BZROSYFNSA-N 440.504 2.448 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)C1 1558328579 BFASGEBLYVBLMH-QGZVFWFLSA-N 427.526 2.323 30 10 IEEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 1560042675 VVJXQYDNJGAOKF-KRWDZBQOSA-N 435.594 2.291 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@H]3CCCC3(F)F)CC2)cc1 1565266099 GLPPXFHCXAFRSO-MRXNPFEDSA-N 426.489 2.400 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)n1 1565304932 DVFLNXPCPAQPFP-SXLOBPIMSA-N 445.564 2.462 30 10 IEEE C#C[C@@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1 1569673984 RAFRXHFGANLBCH-MSOLQXFVSA-N 433.277 2.099 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccnc(C(F)(F)F)c3)C2=O)cc1 1583136075 OIFYOJJNYMGNKB-HNNXBMFYSA-N 431.374 2.493 30 10 IEEE Cc1c(NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)ccc(Br)c1C#N 1584360885 XBVHHRPNCHJJAX-UHFFFAOYSA-N 442.273 2.136 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(C2CCOCC2)n1 1584816287 XSDZGKOWUMCQSU-QGZVFWFLSA-N 445.545 2.327 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)cc1 1585280757 URFMFRNTFALLPB-UHFFFAOYSA-N 435.546 2.280 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N(C)C)CCSC1 1587663032 SYJZIYDQKYOXRZ-FOIQADDNSA-N 432.619 2.165 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1587969921 KJDDWWDKQUTUEK-WMZOPIPTSA-N 428.562 2.289 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccccc2)CC1 1588864647 IQTYXPAHPMYEJD-UHFFFAOYSA-N 433.560 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2c(C)noc2C)CC1 1588954809 MEJFTGQRWAQKRS-UHFFFAOYSA-N 447.543 2.077 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1595093703 HAVUULMZSISJEU-RBUKOAKNSA-N 447.543 2.208 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1611285820 AEAMFPMKNORZNY-MRXNPFEDSA-N 438.536 2.394 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 1611574710 XRGJAQAYDFJGNH-SIKLNZKXSA-N 431.496 2.479 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1611778900 SURVJRIJPBEETC-DRSNIGMVSA-N 426.521 2.411 30 10 IEEE CC[C@@H](C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1613297750 XKTGRJNLUJRWGC-GOSISDBHSA-N 439.564 2.439 30 10 IEEE CC(C)(Oc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616336514 PFPYJVAYXVWGGO-YVEFUNNKSA-N 427.320 2.003 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)cc1 1616420024 XGZMGEFRLMOVIQ-OXQOHEQNSA-N 442.520 2.072 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)COCCO2)cc(OC)c1OC 1619071542 CZAONYXYTYBLFR-IVZQSRNASA-N 445.520 2.372 30 10 IEEE C[C@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c(C#N)cc2C1 1623474623 ODZTYROEFCIVGH-HNNXBMFYSA-N 440.525 2.351 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1624003832 BUWAPQJIMJEBQR-UHFFFAOYSA-N 443.348 2.166 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)c1 1629557783 WWNBAHGEAZEHQK-CYBMUJFWSA-N 436.461 2.483 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704052 CALGBWSNDVKZCX-GBXCKJPGSA-N 442.560 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccccc2CS(C)(=O)=O)CC1 1636266419 XAIYQOHLHCLRMV-UHFFFAOYSA-N 434.558 2.498 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)[C@H](OC)C3CC3)nnc12 1638696075 XSTOXURTCZSVIP-ACJLOTCBSA-N 427.530 2.252 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1640115201 AWFCCOCWCAWBNF-MBNRZODZSA-N 442.462 2.381 30 10 IEEE CCOC(=O)c1cnn2c(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)ccnc12 1640508993 FRFVFEXXEJXCFH-UHFFFAOYSA-N 432.484 2.172 30 10 IEEE COc1cc2nc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)c(=O)n(C)c2cc1OC 1642605760 BAQQQHFNRRLSBU-HSZRJFAPSA-N 433.468 2.043 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 1643513447 YJQIQGLPWSXQNC-UHFFFAOYSA-N 428.510 2.486 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1643911361 XVJRMKUVMNCYTO-CQSZACIVSA-N 445.463 2.295 30 10 IEEE N#C[C@]12CN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)C[C@H]1CS(=O)(=O)C2 1645997502 BLYFBRRJNBUFOP-DXRPGJJCSA-N 441.200 2.016 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)c2ccc(C#N)nc2)CC1)C(=O)OC(C)(C)C 1647784712 PJCVHZYXKZPTDP-UHFFFAOYSA-N 429.521 2.321 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H]1C 1649539961 SVMYIVODVZUTEW-DLBZAZTESA-N 443.621 2.489 30 10 IEEE C[C@H]1NC(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)=NN(c2ccccc2)C1=O 1651184582 GPNDRKJPMUVBSP-OAHLLOKOSA-N 426.326 2.410 30 10 IEEE Cn1nccc1[C@@H](O)C1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1654319287 XAOSZXNJOCIHSA-NRFANRHFSA-N 434.462 2.352 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)NCC)CC1 1689900526 IFLDLNGXWLWJLX-UHFFFAOYSA-N 447.587 2.343 30 10 IEEE C#CCCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689941119 KHYCQJWGSHSHBS-QHCPKHFHSA-N 439.564 2.157 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1CCN(CC)CC1 1690009206 XVGZURMUNGHLRT-UHFFFAOYSA-N 443.559 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC1(CS(C)(=O)=O)CC1 1690026836 NGGBBDKFEJFZGP-UHFFFAOYSA-N 440.569 2.372 30 10 IEEE C=C(Br)Cn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C 1690234428 DJLALOYHASUCJY-UHFFFAOYSA-N 441.418 2.475 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690506445 OCCYGPGXPGYQOU-GOSISDBHSA-N 447.547 2.253 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCC)CC1 1690682207 HXSLWPCUJCIAOP-UHFFFAOYSA-N 438.576 2.417 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1690733485 GAEVRACLJZXOPD-UHFFFAOYSA-N 435.623 2.427 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1694214979 ROQKJOXHABJWCC-HQRMLTQVSA-N 449.559 2.084 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1697702101 BUTWYFINVIVRDL-QKNQBKEWSA-N 441.532 2.254 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCCO2)CCO1 1698493608 NGLRMZDGAGKBCT-IRXDYDNUSA-N 432.912 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1705477500 OUNJAPWMINMNPJ-JKSUJKDBSA-N 437.541 2.343 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1705479342 HTMAPPFWBDXACS-BFUOFWGJSA-N 436.329 2.371 30 10 IEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705509906 PQCRVLULSTZAPF-QFIPXVFZSA-N 443.573 2.115 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705544338 MRCIWKHGFQPVOK-SBUREZEXSA-N 442.516 2.378 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(SC)CCN(C)CC1 1705629816 WRHOCBSFQAWJAZ-UHFFFAOYSA-N 428.606 2.177 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1705646837 PSEOCGLQLJURFK-UHFFFAOYSA-N 429.484 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)cc2)CC1 1705648812 ZIGQIKIPGKXUQH-HXUWFJFHSA-N 437.544 2.195 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCNc2ccccn2)CC1 1705649286 RUWDKTFLCLGATF-UHFFFAOYSA-N 446.559 2.147 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(=O)N(C)C)c1 1705667030 HZTIOPBUTHEYCE-XMMPIXPASA-N 436.560 2.353 30 10 IEEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705834739 QQRMWZNWDQOJHV-JKSUJKDBSA-N 437.541 2.461 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1705876084 OQTBJHRDXUASFH-FQEVSTJZSA-N 445.589 2.341 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705900830 RAZISJPSOHGMGK-KRWDZBQOSA-N 439.564 2.082 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 1705902640 KJWSGIZZSIDDPX-UHFFFAOYSA-N 444.967 2.202 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C 1705946794 QXMPFVDGGBXMOT-ZACQAIPSSA-N 443.639 2.155 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n1 1707732201 HYBDHFJSELZUFC-NRFANRHFSA-N 437.529 2.244 30 10 IEEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1708088830 CBQNAXDEEBGPOO-GOSISDBHSA-N 442.589 2.029 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCCOC(F)F 1708152362 CZTMCDACQFULEM-AWEZNQCLSA-N 443.462 2.279 30 10 IEEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2ncnn2C(C)(C)C)CCOC1 1710440023 DJQPAJASDDWDCU-QFIPXVFZSA-N 442.568 2.455 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(N)=O)c1 1722299604 RAYXITCRZHRABA-HNNXBMFYSA-N 436.541 2.069 30 10 IEEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722335744 PEOKDEDSDGGLOJ-BGYRXZFFSA-N 426.609 2.271 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@@H](F)C2)CC1 1722453297 QWHCPBYUDIOASO-MDNKFWRPSA-N 447.555 2.106 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722482610 BZXRLNIIOSIVHW-WMLDXEAASA-N 433.354 2.406 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1722589756 WNBVOUBLLHXSBH-LJQANCHMSA-N 429.569 2.083 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccccc2)C1 1722719406 TZXVIQUCROVKNO-VAMGGRTRSA-N 446.573 2.349 30 10 IEEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1728736254 BJFBWXZJBZCZLO-UXHICEINSA-N 437.548 2.482 30 10 IEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1 1729541476 DVVWPCXEIIVTHH-UHFFFAOYSA-N 434.548 2.146 30 10 IEEE COCCN1C[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@@H](C)CC#N)CC1=O 1730778533 QGIZUHNSGADICU-HOTGVXAUSA-N 446.502 2.380 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)(F)C(F)F)cc1 1731184148 BHOWKHDKANGMRM-HNNXBMFYSA-N 438.385 2.463 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1740565818 ITDJBZIPRUSNMG-QGZVFWFLSA-N 431.562 2.224 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CCC)C1 1740607133 FJFXIDBNQMCEAI-KRWDZBQOSA-N 429.594 2.040 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1740609380 YFKCXNHSGRHKIZ-IAGOWNOFSA-N 430.553 2.478 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740624159 CVYSIHKPVQQGMM-HKUYNNGSSA-N 448.589 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(CS(C)(=O)=O)c1 1740638378 LEICJVSSGYXOAG-UHFFFAOYSA-N 433.537 2.314 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NCC)c1 1740676062 QDCHSGHFGZNINL-PMACEKPBSA-N 425.533 2.260 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1740695594 YCYYSANXSPPZMZ-LJQANCHMSA-N 439.564 2.399 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccccc1 1740800118 HGUFTTIWDKTGHL-IHPCNDPISA-N 425.533 2.382 30 10 IEEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740861492 OSBUBABLYZTPRV-HXUWFJFHSA-N 435.532 2.438 30 10 IEEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1)C1CC1 1740911450 SREAIFAUPAKFNA-GOSISDBHSA-N 426.496 2.262 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCN(C)C1 1740915677 OORGFXLIULVKOW-QHCPKHFHSA-N 435.532 2.003 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740955833 AXHKTAOJZVJVKM-NRFANRHFSA-N 438.576 2.111 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C1CCN(CCC)CC1 1740989266 HFNUHPYMMXAPSC-UHFFFAOYSA-N 432.594 2.252 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1743757703 SNWJUQCURUNSHD-CEWLAPEOSA-N 429.613 2.205 30 10 IEEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1747805231 HGUVLBXUJMLZLX-UHFFFAOYSA-N 437.529 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(CC)s1 1748664207 DMWXXMXCPALCSA-CYBMUJFWSA-N 434.529 2.112 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCSC)c1 1748690008 LQMDWBOEIFQORB-UHFFFAOYSA-N 428.562 2.226 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1748717478 ASXVYZSXQIOHFM-PMACEKPBSA-N 433.622 2.296 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1748802986 MAJGZFYGKOEWBR-RTBURBONSA-N 445.589 2.156 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1748913073 PESCLNYTZCAXIW-CHJDUVSTSA-N 430.574 2.317 30 10 IEEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1748930728 WSPDLULHGHNUCM-INIZCTEOSA-N 431.487 2.102 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCCN1CCOC1=O 1748956020 GCRXQURGAMPRQH-UHFFFAOYSA-N 434.500 2.422 30 10 IEEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCCCC1 1749404368 CTJZWUWZEDPNOF-MRXNPFEDSA-N 438.598 2.225 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(F)(F)F)CC1 1749683300 OVQOERBTOPLUBU-BBRMVZONSA-N 431.459 2.083 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC(C)(C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1749929751 NEKBIINYZZNQMW-OPAMFIHVSA-N 445.520 2.289 30 10 IEEE COCCOC1(Cn2c(-c3ccccc3C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1750027707 FXBBYZVJAGVVIL-IBGZPJMESA-N 441.532 2.195 30 10 IEEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1750081306 IOFQIPVHKLHARD-XMSQKQJNSA-N 443.573 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC(OC)CC1 1760111317 LPYPONOQZPUPPZ-INIZCTEOSA-N 442.564 2.353 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(=O)N1CCOCC1 1760166841 RZTAINAFOARYRC-UHFFFAOYSA-N 435.484 2.045 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCS1(=O)=O 1760195351 CGSNHPWPQKUEEJ-IBGZPJMESA-N 448.552 2.375 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760204760 BHFMGOHDBOSVNB-HDICACEKSA-N 426.590 2.206 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@]1(N2CCOCC2)CCSC1 1760205073 OCIGUCAYKMYVDY-QFIPXVFZSA-N 441.626 2.211 30 10 IEEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1760228046 TXSJNYYSLRBVII-LJQANCHMSA-N 430.574 2.219 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1760257409 VYMOZUDRBRCKEP-ZJSXRUAMSA-N 446.640 2.050 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H]2C)CC1 1760260827 FNAXGQIGMGNIKJ-MSOLQXFVSA-N 426.590 2.461 30 10 IEEE C=C(Cl)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760388392 SGNRVRPXNODLQM-XLIONFOSSA-N 425.961 2.376 30 10 IEEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1760447571 MWTAMEKDXZEUCP-SFHVURJKSA-N 449.939 2.151 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760525566 KBZYSXKDDBBAKM-QGZVFWFLSA-N 448.449 2.420 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)C1=O 1769055148 SIXXHHFPCBUEMI-QHCPKHFHSA-N 433.516 2.337 30 10 IEEE COCCCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1769746251 CJLOZHYBPVGZPF-QFIPXVFZSA-N 448.527 2.456 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770790902 DFWLPEGHQOTXGW-MSOLQXFVSA-N 429.500 2.097 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 1772792301 KIHOXSNWWGCQFU-UHFFFAOYSA-N 426.406 2.126 30 10 IEEE CN1C(=O)CC[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)[C@H]1c1ccccc1 1852268938 DUCCDGQEXMSAQK-FYYLOGMGSA-N 447.539 2.228 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 1862745310 GABONUZRZZDNGM-IBGZPJMESA-N 440.408 2.327 30 10 IEEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1863331925 UPAKGZHRFDSJFK-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE CCCC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1cccc(C#N)c1 1867236653 DUJNTVRHRPGEGD-LJQANCHMSA-N 428.514 2.441 30 10 IEEE C=CCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870387681 OSZJISQLHFMLAO-UHFFFAOYSA-N 433.512 2.279 30 10 IEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562012 JJORURZLVKMRFD-UHFFFAOYSA-N 439.608 2.314 30 10 IEEE COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ccccc3C#N)C2=O)cc1OC 1873869053 CKZSTIBZVRSSLW-GOSISDBHSA-N 436.468 2.457 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874280303 OYINPBKFDDQXKZ-VPNURPJOSA-N 431.518 2.057 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccn1C 1874436331 WPUSMZBOEKUERO-GIEPYWIESA-N 439.545 2.104 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874447895 OIRFQWDOCQHTTH-IXJMWADBSA-N 434.478 2.244 30 10 IEEE O=C(NCC#CCN1CCOCC1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1889404331 SQRLBCMDDZDWQE-UHFFFAOYSA-N 434.323 2.269 30 10 IEEE C=CCNC(=O)c1nc(C(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)cs1 1890875119 RVMVPRZELLOSMP-UHFFFAOYSA-N 441.488 2.242 30 10 IEEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC(CN(C)c4ncccc4C#N)CC3)cc12 1891589063 LJFGBCITHRTHPQ-UHFFFAOYSA-N 439.545 2.081 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 1901210098 ZTTKGAWTIRAODW-ZDUSSCGKSA-N 427.738 2.332 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC 2006228908 WJINHYCJKYIAQR-CYBMUJFWSA-N 427.361 2.183 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2085300205 IBCCXQYXEPAWPA-LSDHHAIUSA-N 439.362 2.230 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)CONC(=O)OC(C)(C)C)s1 2243675615 YTOSFPDBCOESSW-UHFFFAOYSA-N 426.344 2.428 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCN)Cc3ccccc3)cc2F)OC1(C)C 2247875995 HGGSHNPLODQBNI-UHFFFAOYSA-N 434.342 2.275 30 10 IEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCCONC(=O)OC(C)(C)C 2255542240 OSYQOXOGNRWINC-UHFFFAOYSA-N 436.314 2.181 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255695508 GIGXSFWNJCYURK-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC12CC2 2255713243 YEPGNPTYUHRRQI-MRXNPFEDSA-N 431.342 2.443 30 10 IEEE CC1(C)OB(c2cc(Cl)ccc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2255823270 UCYMEKMPTLCUAE-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE COCCN(CCNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255851201 NFGOEWWXSPYJFM-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2255873840 OUSCLNUXLRTCLR-INIZCTEOSA-N 433.358 2.406 30 10 IEEE C[C@@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)C(F)(F)F 2256892846 UEBQCXFUGYEQAQ-RISCZKNCSA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H]2COC[C@H]12 2266062171 SKOYFHUMCUQMSF-FVQBIDKESA-N 449.332 2.248 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2267136195 ITNHZLBBADKMEK-INIZCTEOSA-N 446.307 2.349 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267145588 FPLZNZGNVSPINY-LJQANCHMSA-N 438.381 2.374 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267179800 VILXIASWPPFODF-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cc1cnc(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267198564 ABJQFPJEABDXDO-HNNXBMFYSA-N 447.341 2.360 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267496987 HIPAZXQKNAJLAZ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CCN(C(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267527952 OTDKYIKRBXXSGN-UHFFFAOYSA-N 448.373 2.284 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 2267529539 MPLOXXHMBXLBDX-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270598878 JSRNYQZQZRFNAT-CYBMUJFWSA-N 441.259 2.054 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c1C 2296933636 YQOVAADMBMHUGR-IBGZPJMESA-N 440.500 2.187 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccco1 2297740747 IJEBVJQOOWKORP-IBGZPJMESA-N 441.440 2.332 30 10 IEEE CC1(C)OB(c2scnc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303598645 GPUMITLEILRTRC-INIZCTEOSA-N 432.351 2.140 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2317151306 PBSHWYYJPIYMAZ-MSOLQXFVSA-N 429.326 2.250 30 10 IEEE C=CCn1c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc2c(NCCO)ncnc21 2321168585 LPPKZHCXKSJYTJ-UHFFFAOYSA-N 446.555 2.493 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1 2355480682 SXCBDSSLVBMRAN-SESVDKBCSA-N 425.510 2.331 30 10 IEEE C#CCCN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1Br 2361579314 SPOMVMDYAOQFIJ-UHFFFAOYSA-N 425.098 2.310 30 10 IEEE COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)cc1 5396485 LDUAWRDQWRJJQC-UHFFFAOYSA-N 432.484 2.131 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc2C1=O 9702123 PKGUGAJPGRWTQA-UHFFFAOYSA-N 447.447 2.389 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1 20527447 WBOZTYFFCDNHJN-ZVBGSRNCSA-N 431.453 2.022 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)cc1 20910206 DLSUOMCAIHEXPL-ZVBGSRNCSA-N 428.522 2.445 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC(=O)NCc2ccncc2)CC1 110222290 IVSCEVJVHGWDPC-UHFFFAOYSA-N 448.483 2.240 30 10 IEEE C[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)n1cnc(C#N)n1 410009431 JTHBZZTWENPQEN-UFBFGSQYSA-N 432.200 2.342 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1C#N 427130356 HRXIPGWEJOBPRZ-CQSZACIVSA-N 434.543 2.483 30 10 IEEE CCOC(=O)c1csc(C2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)n1 428451629 DAXIOQXAHWXEFS-UHFFFAOYSA-N 426.498 2.327 30 10 IEEE C=CCN(C(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 436911525 UQNYVHJGPMOZKN-HLLBOEOZSA-N 430.534 2.436 30 10 IEEE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 461328254 VXJQGLLLCSPWTG-IEBWSBKVSA-N 426.542 2.352 30 10 IEEE COc1cccc2c1CC[C@H]2NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471493002 ZEYBCAQMPNHYTF-LJQANCHMSA-N 440.525 2.270 30 10 IEEE CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 489617471 MMYPAVFWKPMTFS-UHFFFAOYSA-N 434.905 2.294 30 10 IEEE C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](c2ccccc2)O1 492517694 YMPWKKYKWRKCBW-OXQOHEQNSA-N 430.468 2.125 30 10 IEEE C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CSCC(=O)O 504720346 QRLZYWAWVZEQOG-HGIVNFSNSA-N 434.554 2.383 30 10 IEEE COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1OC 505002417 GYVDEKBHJJLOGW-UHFFFAOYSA-N 425.489 2.348 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 505824900 NFFQCJPPGQWAKV-UHFFFAOYSA-N 434.540 2.448 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508630870 OPMMKLPWUWNRHD-RTWAWAEBSA-N 433.512 2.052 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCN(CCC)CC1 508683929 TXNVXITZZWKOJM-UHFFFAOYSA-N 444.605 2.448 30 10 IEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 508917057 AYZNVNJRZNRFFQ-UHFFFAOYSA-N 443.515 2.442 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccc(F)cc3)c2=O)cs1 514331274 RPKFOGRFAVYMJM-UHFFFAOYSA-N 442.541 2.078 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cccc(COC3CCOCC3)c2)cc1 520371500 URDNKBGCODQIOS-UHFFFAOYSA-N 442.537 2.485 30 10 IEEE COCCN1CCCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 521246847 XCXCOUODMWGLIX-UHFFFAOYSA-N 427.505 2.203 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1ccc(OC)cc1OC 527007052 SHFRTDJEGJVOPL-IBGZPJMESA-N 442.472 2.119 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)C1 549540299 ORACXLBZTRWZBE-HXUWFJFHSA-N 437.525 2.400 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 555247267 AQXDGWQXXIWLRI-IEBWSBKVSA-N 449.552 2.320 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2OC)CC1 555257905 AWHANWMYURMOQO-INIZCTEOSA-N 449.552 2.231 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccccc1C 603800826 XQMPEKOXOMLDMV-UHFFFAOYSA-N 437.471 2.291 30 10 IEEE N#Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Cl 603970476 MRQTVLACWXPQNF-UHFFFAOYSA-N 441.918 2.033 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)nc1 608968006 LKHATRRPMUDPDA-KRWDZBQOSA-N 425.439 2.370 30 10 IEEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)c(OC)c1OC 610134611 YHRZJOJTOCRNFL-UHFFFAOYSA-N 445.541 2.399 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)[nH]1 727357557 QPPBYBCNUKXQSH-PGMHBOJBSA-N 425.536 2.112 30 10 IEEE N#Cc1ccc(NCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)nc1 742276056 VWGUQWCAISWPKX-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749869677 MVHCCBFDSNFWRG-INIZCTEOSA-N 442.585 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)[C@H](C#N)C1 754380955 XZNYEZVDOURYAM-CGQZWFTASA-N 434.518 2.043 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)COc2cccc(C(=O)NC)c2)n1 760138406 KTVSJHQGHVXXAS-UHFFFAOYSA-N 444.542 2.177 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(CO)c(F)c1 762709492 QTXBYHIPXMRKLS-SFHVURJKSA-N 433.505 2.088 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc1 783210206 HAJOTQFYVJPVGE-HOTGVXAUSA-N 440.493 2.102 30 10 IEEE CCOC(=O)C1=C(C(C)=O)[C@@H](c2c(Br)cnn2C)NC(=O)N1CC1CC1 783925245 UCDXKGRYZSRYJO-ZDUSSCGKSA-N 425.283 2.065 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCCC1 786296837 OOIYTLJHFREDRG-IIBYNOLFSA-N 431.537 2.066 30 10 IEEE Cn1cc(C[C@H](O)C(=O)OCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)cn1 786869831 JTMNVGPZEABVJH-NRFANRHFSA-N 447.495 2.047 30 10 IEEE C[C@@H]1CC[C@@H]1N1C(=O)[C@H](CC(=O)NCCCN(C)C)S/C1=N/CCc1ccccn1 795185651 YHUROPXWVRNIPZ-LEUOPLGASA-N 431.606 2.181 30 10 IEEE COc1ccc(NC(C)=O)cc1S(=O)(=O)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 796725018 LQMBAWZWGCJLHF-UHFFFAOYSA-N 431.445 2.201 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C 798749883 OKDWKERBAGQWOA-BXWFABGCSA-N 426.473 2.202 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 806230193 FIIMSLSAVPLUMO-FQEVSTJZSA-N 440.569 2.379 30 10 IEEE COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807966891 JFXMUDNSGVGOLN-UHFFFAOYSA-N 429.252 2.459 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](c2cnn(C)c2)C1 849584542 XTKWOOTZOUPRDG-RJGXRXQPSA-N 448.571 2.023 30 10 IEEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cn(CCO)nc2C2CCOCC2)ccc1OC 856639073 XOUCUUPFIKOOOO-GOSISDBHSA-N 442.516 2.389 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)CC1 858029199 UBIWMIUIDHIPLU-FGZHOGPDSA-N 425.577 2.495 30 10 IEEE N#C[C@H](C(=O)Nc1ccccn1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 917508727 WNHDQDCPTZOUEJ-KRWDZBQOSA-N 446.916 2.483 30 10 IEEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1 1084425089 AQJOCAYCBNQTIB-UHFFFAOYSA-N 428.497 2.374 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)Nc3nccs3)n[nH]2)cc(OC)c1OC 1084604189 NHECQDHYFYAECU-UHFFFAOYSA-N 449.518 2.464 30 10 IEEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1140926258 QEKLJENDRSJPOU-MDZRGWNJSA-N 438.546 2.112 30 10 IEEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N[C@@H](CC#N)C(F)(F)F)cnn2c1 1156053368 SDGJHJMSSPQSAS-ZDUSSCGKSA-N 426.399 2.371 30 10 IEEE CN(C)S(=O)(=O)N[C@H](CN=c1c(C#N)c[nH]c2c(F)c(F)c(F)cc12)C1CCCC1 1163313002 TZHPZBHGTIVGHO-OAHLLOKOSA-N 441.479 2.312 30 10 IEEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1213442004 BXDSDJLGOCXZPZ-OAHLLOKOSA-N 437.415 2.033 30 10 IEEE C=CCn1ncc2ccc(NC(=O)N(C)CCOc3ccc(S(N)(=O)=O)cc3)cc21 1220204657 WFFBDTNYNOHKGR-UHFFFAOYSA-N 429.502 2.412 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)CCCS2(=O)=O)c1 1264677081 RDAUAOXZSVRMSW-JUJXNAJKSA-N 441.575 2.185 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1265541087 QGXZWLLQALXUNK-NRFANRHFSA-N 426.477 2.163 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1286279315 UQTHSPCGUPVNAO-KBPBESRZSA-N 432.525 2.209 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1286364584 FJYUHHRCDYLOEQ-JOCHJYFZSA-N 427.574 2.231 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1286396001 UWAHSGJTOZXXEJ-WIYYLYMNSA-N 445.614 2.176 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1286401997 WQSVHLBTANLZFN-DEOSSOPVSA-N 445.527 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CCN(C)C)CC1 1286403630 MXMSZTKAGHVVBO-UHFFFAOYSA-N 429.572 2.163 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286495820 GHRNVRAJPHFFBP-KRWDZBQOSA-N 440.573 2.181 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286507537 JWBYDYWDKJTXFI-LJQANCHMSA-N 426.590 2.373 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286510202 LLIBUHQWBWWJNP-KRWDZBQOSA-N 441.557 2.043 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286623882 YMKDDBSTZCZKFM-QGZVFWFLSA-N 446.895 2.433 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1286758042 BKCYYWCZBBTRQJ-IBGZPJMESA-N 431.562 2.146 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286788072 PIIKNAJPLJNWFA-PMACEKPBSA-N 425.533 2.270 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1288775515 FIIOMIHEYMAHTA-WMLDXEAASA-N 434.591 2.149 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCc1ccccc1 1288826740 UWFCCMRIBMVGJO-JXFKEZNVSA-N 434.541 2.353 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1291225547 SJRUDKLSMCOYML-RLBWVDARSA-N 449.540 2.285 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1292768704 FEYWPWFWQUBPHH-OHEPNIRZSA-N 445.543 2.351 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)c2ccccc2)CCOC1 1296662601 DYLVLSXXRVWPRT-GREBRCKQSA-N 440.548 2.184 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCN(C)C1 1300287068 SUYPRNAQHGBPNW-BFUOFWGJSA-N 436.329 2.371 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1 1300578051 GFDOBZLSHJYXJF-LJQANCHMSA-N 426.542 2.109 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300617296 XHZAAJBLPRMIEP-FQEVSTJZSA-N 426.540 2.486 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCC(F)(F)F 1300664047 LKPBBEIWXUJPFU-UHFFFAOYSA-N 448.449 2.201 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nnc(C(C)(C)C)s2)CC1 1300697548 FBKBKAVKCPVPGN-INIZCTEOSA-N 429.594 2.472 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)CC1 1300707282 DCFNUFHBFKQSKI-UHFFFAOYSA-N 437.573 2.437 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300999718 FXCPJWMIOIKVKG-MRXNPFEDSA-N 428.459 2.500 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301473408 AXZSESHLQJGNNU-HSZRJFAPSA-N 425.533 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccnc1 1301596399 NLBNITHTPYOOIB-OAHLLOKOSA-N 435.460 2.461 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1301836638 NVFWZUSUZZZQPX-GOSISDBHSA-N 430.459 2.346 30 10 IEEE COCCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1302162328 JMJRGPZVSCQINH-AVRDEDQJSA-N 445.520 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1302225940 WWAUHSKYXKHJTI-RCCFBDPRSA-N 446.552 2.300 30 10 IEEE CSCCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1302789066 YZNVXROYWQYEOE-QBHGPPCGSA-N 434.566 2.235 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCS(=O)(=O)CC2CC2)cc1 1302993284 BKWRLAIYGITSJQ-UHFFFAOYSA-N 427.530 2.320 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1305326581 GXRHBYLTSCWMSG-GEQKSPFYSA-N 439.564 2.172 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1306783653 NKSOXEKMXBYQJV-QGZVFWFLSA-N 425.537 2.195 30 10 IEEE CCOCCn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OCC)CCOC1 1314494042 YJQAPEBEEGDUTR-NFBKMPQASA-N 441.532 2.416 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)Cc2ccccc2)C1 1316526998 GPKMIKZDMHYGPE-OAQYLSRUSA-N 440.504 2.397 30 10 IEEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 1322159491 XBYBVHGEJGIJKA-SFHVURJKSA-N 445.500 2.248 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@H](CC#N)c1ccccc1 1350964293 BVYNUPGZLKVCDL-LJQANCHMSA-N 442.541 2.267 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1358889367 AUYQARQSNZDPHL-YESZJQIVSA-N 432.546 2.114 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1358917847 CNNOTDXYQWZODY-JXFKEZNVSA-N 436.516 2.341 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)NCC)CC1 1358921847 LFKZUWZDWOZUIU-UHFFFAOYSA-N 446.559 2.007 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358931904 SASWTYRQVVYLRG-IBGZPJMESA-N 432.532 2.075 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1358972720 QECRIJPOYBWYGP-XMMPIXPASA-N 446.580 2.097 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(F)cc1)N(C)C 1359022718 KUTLRBXTMROIHY-HXUWFJFHSA-N 425.512 2.207 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ncccc2Cl)CC1 1359034849 DZWZGSJSZVOWNW-KRWDZBQOSA-N 430.940 2.055 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359035239 OXEBIDFASCRRLH-NZQKXSOJSA-N 427.549 2.392 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1359048165 HREMDDPIXXCITH-UHFFFAOYSA-N 445.568 2.034 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1359111487 CPWYHFMZUIEJAR-OAHLLOKOSA-N 427.496 2.463 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1359194671 ZORWLHHZIBYHGC-BHIYHBOVSA-N 433.578 2.473 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC(N)=O)c2)C1 1359320130 MGRMDFLDFOKLSA-VQTJNVASSA-N 441.532 2.213 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 1359320205 NKWFYCUCUVWFKK-WOJBJXKFSA-N 432.613 2.327 30 10 IEEE C=CCSCCn1c(C(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1359337360 PPIPEHXHNOSLIE-UHFFFAOYSA-N 427.582 2.324 30 10 IEEE CC(C)C(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1359633515 LQGLZFGQAUVDTN-UHFFFAOYSA-N 443.577 2.172 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1S(=O)(=O)NCC#N 1452011890 NBYAZSOZVVVVBH-IEBWSBKVSA-N 433.917 2.398 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(OCC(F)(F)F)cccc3s2)C1=O 1463277953 PGETZDWTFCNJIO-UHFFFAOYSA-N 442.375 2.153 30 10 IEEE N#Cc1cncc(S(=O)(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1 1464110984 CTYAOHFOWABULN-HNNXBMFYSA-N 430.452 2.155 30 10 IEEE CC(=O)NCCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H](C)C(=O)OC(C)(C)C 1466785824 CPYZCZMEBFNYBM-INIZCTEOSA-N 444.532 2.362 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1 1467932208 LAPIAHIPEFJPNE-UHFFFAOYSA-N 431.493 2.374 30 10 IEEE CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1468452619 JEIMXFMHTONHSU-KRWDZBQOSA-N 437.905 2.275 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(I)cc(C(F)(F)F)c1 1468454843 XXWXOQYJDQFMQJ-JTQLQIEISA-N 428.148 2.420 30 10 IEEE CN(Cc1noc(C2CC2)n1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1468978651 JCDCRXCUZNCZSC-UHFFFAOYSA-N 431.518 2.205 30 10 IEEE CC[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1471958280 LYFUDZCNIUOQIM-DOTOQJQBSA-N 428.489 2.247 30 10 IEEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)cc1 1504215705 HBTCXKAKLSVUND-SJLPKXTDSA-N 431.562 2.102 30 10 IEEE COc1ccc(OCCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1504312637 KSYMHHXCFVLAAY-OAQYLSRUSA-N 434.500 2.470 30 10 IEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1504460009 CENPSJKZZWSPBT-QGZVFWFLSA-N 431.500 2.360 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCC[C@@H]2C)c1 1507550020 DKHNVOWJJWQARC-RGZWJVDOSA-N 437.544 2.389 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1507623057 OLJRSIVAVGCQHN-QGZVFWFLSA-N 432.546 2.094 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](SC)C(C)(C)C 1507710212 CYBZGBXZYIUSGK-HOTGVXAUSA-N 428.624 2.044 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(N(C)C)cc2)CC1 1507724751 WQJBKYVTTYOQAV-UHFFFAOYSA-N 429.572 2.328 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1507736244 MXACWIIFAYJIMI-DRMXPCRNSA-N 443.592 2.486 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCS(=O)(=O)NC(C)C 1507770233 JGHPNAHQTLYPAB-JOCHJYFZSA-N 429.590 2.383 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnnn1C 1508010619 BMJAIBNJPLOZOM-YJBOKZPZSA-N 429.550 2.433 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508061001 IDRPLVBYEKTZLW-QFIPXVFZSA-N 430.553 2.295 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)C1 1510290679 UXFOPCWZCQVPIU-FQEVSTJZSA-N 425.472 2.203 30 10 IEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1515674346 IEOCHMQUMRONMG-VQTJNVASSA-N 427.505 2.149 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCn1ccnc1C 1516539945 RWSCQCPWUDVJIF-UHFFFAOYSA-N 436.520 2.335 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CCOCC1 1519922482 FWRCJCOHOPAKAT-KRWDZBQOSA-N 426.546 2.041 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCOCC(F)F)cc1 1521095568 MXEYUHHYYFFTCJ-ROUUACIJSA-N 433.459 2.483 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)c1nccs1 1533903957 IWFQPNUDJSOCKJ-UHFFFAOYSA-N 431.539 2.413 30 10 IEEE C#C[C@@H]1COCCN1C(=O)Cc1ccc(I)c(Br)c1 1535553070 PXBNHFCSSUJZRD-LLVKDONJSA-N 434.071 2.457 30 10 IEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539044856 KGZDKBZMRJICGB-UHFFFAOYSA-N 443.596 2.338 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCn1c(O)nc2ccccc21 1539232418 BSJADGWQBPNQGH-UHFFFAOYSA-N 433.516 2.025 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(O)CC2)CC1 1539436489 UKXXHHBKERROEZ-UHFFFAOYSA-N 425.533 2.021 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1539519400 FVNUOVVPERGKCC-JOCHJYFZSA-N 427.574 2.405 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540915161 HPBGUBSSNJJBCD-QGZVFWFLSA-N 447.634 2.236 30 10 IEEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1547242284 ZZNJOAUIPBOYKB-UHFFFAOYSA-N 449.515 2.430 30 10 IEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)N(C)C)nn1C 1548375430 LSGWSXPWGJRTFM-GOSISDBHSA-N 448.449 2.038 30 10 IEEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1555328712 YPTOUQUDHGINCL-UHFFFAOYSA-N 435.488 2.091 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1555637456 RWEVHYNHYBMBBP-KKDDFNCRSA-N 449.552 2.371 30 10 IEEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N 1555685360 QRPFHPKYUNNFPU-KRWDZBQOSA-N 426.521 2.183 30 10 IEEE CC(C)CN1C[C@@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CCN2C1=O 1556472269 GZZPMRSEJZEIPV-IBGZPJMESA-N 432.565 2.241 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1561155285 ZBDUGSBEVKSGPE-OAHLLOKOSA-N 426.491 2.377 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc(OCC)nn4)CC3)n[nH]2)c1C 1585401467 QEAXMYHKLIDPDA-UHFFFAOYSA-N 436.520 2.227 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 1587956503 RORJWYIMBHYADE-QGZVFWFLSA-N 439.497 2.481 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)[C@H](C)CC 1588309883 HCZQEHRDVNBASN-IERDGZPVSA-N 432.594 2.495 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(C=C)cc1 1588646714 MBDKUUODWLGZMX-FQEVSTJZSA-N 428.558 2.152 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCCCCO 1597496407 ZDVVWBSLOPBPLH-SFHVURJKSA-N 448.568 2.489 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1611292441 NMMMGDWUXRTYLW-SJLPKXTDSA-N 447.561 2.283 30 10 IEEE CN(C)c1nc(N)nc(COc2cccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)c2)n1 1611321930 SUHGXSXTKZSOKC-FLIBITNWSA-N 436.447 2.459 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CC=CCO1 1611847373 SQYUPAMYBBNGMV-RDJZCZTQSA-N 443.577 2.488 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(F)(F)F)n1 1612501250 GWXSGMPNKKTBHN-UHFFFAOYSA-N 445.453 2.295 30 10 IEEE NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1618132824 ZIFRKQOPDRMGBD-KYXWUPHJSA-N 438.315 2.429 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1619769331 XSCGGPXWIRRNCR-UGSOOPFHSA-N 439.358 2.429 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1619818251 XNFILESFAFNHCH-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1620044442 ZTGKHEFNNNDQIW-NHCUHLMSSA-N 441.532 2.254 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1627405575 AVBKPWOZUBTMJV-DLBZAZTESA-N 428.470 2.007 30 10 IEEE CNC(=O)[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Cc1ccc(F)cc1C 1627447214 BCMMECQXIFHFQY-KRWDZBQOSA-N 434.475 2.108 30 10 IEEE C#CCN(CC(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)OC(C)(C)C 1630405848 ULFZLXWUCSTMSQ-MRXNPFEDSA-N 429.517 2.392 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ncc(C)s2)c1 1632528385 MGEPQBYVTQGRHE-MRXNPFEDSA-N 449.579 2.402 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCc3c(CC(N)=O)cccc3C2)CC1 1634460711 LCMKLLVWNGRNBK-UHFFFAOYSA-N 433.512 2.439 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1636700510 SPFQIMQCHWUALY-QGZVFWFLSA-N 436.508 2.426 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1636856709 HCMZSNJATTYELT-AEFFLSMTSA-N 447.469 2.478 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2COC(=O)NC2CC2)s1 1637285559 ZRKXGXPOKOOCGT-HNNXBMFYSA-N 441.575 2.025 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@@H]1Cc3cc(Br)cnc3NC1=O)C2 1637886284 QPTUPDOLAVBBDA-HZPDHXFCSA-N 426.274 2.046 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 1639344877 HBCXRNQNWBKPKB-OAQYLSRUSA-N 440.525 2.379 30 10 IEEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(C)(C)CN1CCOCC1 1642527652 RJLWPVYVMAZFIS-OTQYULQBSA-N 434.581 2.342 30 10 IEEE N#Cc1ccc(OCc2ccc(C(=O)N3CCN(C[C@H]4CCCS4(=O)=O)CC3)o2)cc1 1642937040 QCCXNQGDZZCCPM-HXUWFJFHSA-N 443.525 2.065 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CC3)n[nH]2)c1C 1644563613 LSZLSCUBCXFQFU-UHFFFAOYSA-N 434.566 2.056 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 1648478306 ZFEKLLOITWWHKG-OAQYLSRUSA-N 430.574 2.250 30 10 IEEE C[C@H]1CN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CCCO1 1649557233 AVWICICYKNUVIH-SJORKVTESA-N 443.552 2.245 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(CO)(C(F)(F)F)CC2)CC1 1656350982 CNEMHZBTLXOUMY-OAHLLOKOSA-N 430.496 2.094 30 10 IEEE C=CC[C@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)c1ccncc1 1679025958 FSEWWJZYOZAFPY-IBGZPJMESA-N 431.514 2.286 30 10 IEEE C#CCSCCNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1679140416 SXGLMWOTNLNGPL-UHFFFAOYSA-N 425.352 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCn1cc([C@H]2CCOC2)cn1 1690051106 MOUGJEYFHNLYKN-NRFANRHFSA-N 429.528 2.127 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1690059241 MFTPOROWLJXUDB-RHSMWYFYSA-N 439.969 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1nc2cc(OC)ccc2n1C 1690104642 CLQSAGBXBNDLLO-UHFFFAOYSA-N 445.527 2.294 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1690122654 XZIMSALNNIYJKU-QFBILLFUSA-N 442.951 2.105 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)N2CCOCC2)C1 1690693915 HZCRYKOCUGVXDB-PZJWPPBQSA-N 428.581 2.422 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n[nH]1 1693363593 GSURNCXETWYWFF-LJQANCHMSA-N 447.547 2.227 30 10 IEEE CCn1cnnc1Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1695802026 ZBIUAVONYBRTGL-NRFANRHFSA-N 428.541 2.108 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1696340560 DNHUZJWCQQWQSO-HNNXBMFYSA-N 437.447 2.396 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCCC2)CCO1 1696964482 JVLAUXVEXGBMCL-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC(F)F)CC1 1698489074 PDJSTCUYUUDLQV-UHFFFAOYSA-N 428.447 2.496 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@@H]1OC 1705548139 XHGFOKZEAOHVNY-IRXDYDNUSA-N 430.578 2.431 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[S@](=O)C(C)(C)C)CC1 1705635827 MPYOZNRXUQGMAC-HKBQPEDESA-N 444.561 2.156 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(=O)NCC)c2)CC1 1705636121 YMNCYMDWUKGFCO-UHFFFAOYSA-N 432.528 2.400 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N(CC)CC)CC1 1705636362 GYMQKYNGRWAZCS-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1705649924 IXJAYAKJTOFHOS-KRWDZBQOSA-N 425.533 2.282 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1 1705693489 HFWHDCWPLNLBSW-IEBWSBKVSA-N 436.520 2.277 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1705716177 BOSHGIGTDFEEEH-HNNXBMFYSA-N 433.525 2.059 30 10 IEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCCCO)CC1 1705764031 LLPPKLNUGULVBP-UHFFFAOYSA-N 448.593 2.102 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1705844108 WCQDHFCLJUGEHH-WOJBJXKFSA-N 429.590 2.467 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705938753 IPCLWSHMLSKHJK-QGZVFWFLSA-N 429.594 2.236 30 10 IEEE CCc1nnc(N(C)Cc2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1709034336 DJHDYJLINZGVTK-QZQOTICOSA-N 440.504 2.021 30 10 IEEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1709284057 HCLSEHMQOPWXKR-KRWDZBQOSA-N 432.550 2.047 30 10 IEEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1711898329 LUUNPUWYQSUVMR-RLBWVDARSA-N 435.488 2.218 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)c1cc[nH]n1 1722281814 VYKFMVAMNWBTRE-MRXNPFEDSA-N 428.500 2.413 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1722381631 TVKVKBPQTNAGBC-SJLPKXTDSA-N 429.484 2.156 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1COCCO1 1722423925 URTDSERCRNODTE-QGZVFWFLSA-N 434.924 2.499 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](C)OC)CC1 1722445305 PBCPKDLPMGVLMS-QGZVFWFLSA-N 432.528 2.494 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@H]1OC 1722674298 AWVLKEQXXGZOGK-UYAOXDASSA-N 443.548 2.394 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)nc2)C1 1722709174 KLAPQDRMRCAQFT-SFHVURJKSA-N 448.531 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1722719558 VXYUTCOKGMCKDG-FHFCDEBKSA-N 430.574 2.490 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1728760847 HVGZOGYEJJZNFS-VFNWGFHPSA-N 430.484 2.304 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1740544822 KPVJJLYXNSMKRO-ROUUACIJSA-N 434.544 2.390 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1NC(=O)CC1(C)C 1740647542 VQILJDJLHOVSLV-INIZCTEOSA-N 443.349 2.413 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(CN2CCOCC2)c1 1740684103 VZTGBKUSMXOFPP-UHFFFAOYSA-N 434.544 2.240 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC[C@H]2CCCCO2)CC1 1740689352 BXIZVCOKJXNZIF-HXUWFJFHSA-N 430.597 2.301 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1740724480 DHOZWLFSWYLWPY-ZXYWRSMDSA-N 436.607 2.449 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740798788 AIGYRMFFMBKWQY-OALUTQOASA-N 449.596 2.290 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740876303 QHRDGVPAXPADME-KRWDZBQOSA-N 439.582 2.061 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740884756 LQTYDFMNZSPWDL-UHFFFAOYSA-N 441.561 2.295 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1740969378 YCTIUKKDDMHDNU-IAGOWNOFSA-N 449.577 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COCC)C1 1740988657 LWGDNIOKBUWJHM-GOSISDBHSA-N 429.546 2.280 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)CCO1 1741109323 OBHFQARAYCMOSG-NRFANRHFSA-N 434.500 2.032 30 10 IEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1)OC 1744139126 KPQLFJSRPLRGHJ-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE CCC[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1745247225 LBDGLGCULFLDJV-FVGNFYTDSA-N 440.552 2.291 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1745781643 YTRGJQKCRGKULQ-IBGZPJMESA-N 432.532 2.460 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ncn(-c3ccccc3)n2)CCOC1 1746645846 AJTNMIABDGKSAP-VGSWGCGISA-N 436.520 2.298 30 10 IEEE CCOc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)ccc1OC 1746774357 DJXVGNXNTMZANQ-INIZCTEOSA-N 426.521 2.452 30 10 IEEE CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747753107 CCFPYVNYXVXWIB-CZIZESTLSA-N 437.460 2.227 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748392290 DYRUJZPGVACHOE-OAHLLOKOSA-N 445.483 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1748639050 BFLIYPHETJDQFS-QWHCGFSZSA-N 425.942 2.057 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccc(NC(C)=O)nc2)c1 1748694566 JGUSRKIIYDLINF-UHFFFAOYSA-N 431.500 2.298 30 10 IEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748806147 ZTCDOWAWNCJJOM-AEFFLSMTSA-N 438.594 2.065 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1748812179 RMPMQXXYKMIVAV-SFHVURJKSA-N 445.589 2.338 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748823858 DCVLUTSDSUBHCJ-IPMKNSEASA-N 436.578 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1748835771 ICSSQEYFDACUDG-LJQANCHMSA-N 435.528 2.294 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1748917191 PKDFOHZMQCNKEW-UHFFFAOYSA-N 432.546 2.247 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2o1 1748962880 SYGNILQKZRLTEG-SFHVURJKSA-N 442.541 2.255 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(C)(C)O)cc2)CC1 1748994319 DOKJUYWTEWWUFU-UHFFFAOYSA-N 447.587 2.171 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1749755719 KPYQOKWNQVQKJN-MRXNPFEDSA-N 443.639 2.157 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1760109549 ZVRPVZSGCVWCQQ-INIZCTEOSA-N 426.546 2.040 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1760111894 WDONPYFXPPTUCT-SFHVURJKSA-N 433.560 2.382 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760185252 TZMVQZXDMAAVEO-DLBZAZTESA-N 432.521 2.138 30 10 IEEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760221799 LMRGNQWPWBICIB-UHFFFAOYSA-N 426.542 2.176 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(CC)s1 1760226694 IVPVDTUPXAWKRO-UHFFFAOYSA-N 430.559 2.270 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)OC 1760479981 GYZZEOKFCKQBMX-APWZRJJASA-N 429.546 2.279 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760532762 DSMUEJVLDXNKFJ-UHFFFAOYSA-N 438.576 2.198 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760691878 UFVVSZIGNJHOSG-MRXNPFEDSA-N 438.536 2.134 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1761283967 SYRDBSWFAVNITO-AUSIDOKSSA-N 446.596 2.169 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1763640602 JITUSICQDXLEIX-SNAWJCMRSA-N 449.515 2.216 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC(F)(F)F 1764909772 QRFZUYADALHGPO-UHFFFAOYSA-N 426.447 2.007 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC2(C)C)C1 1765671820 GUWGUPNPTNXWPV-ZWKOTPCHSA-N 428.562 2.381 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@H]1C 1767131634 FCXNIZURSKSCTP-GOSISDBHSA-N 434.548 2.235 30 10 IEEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)cc1 1768692200 MHPOIDPRUGGFBD-QGZVFWFLSA-N 426.521 2.478 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CC1=O 1771149574 FTUAEAJFQFQPGQ-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@H](C(C)C)N2CCS(=O)(=O)CC2)c1C 1851858764 MAKSANMDEQLNOC-IBGZPJMESA-N 429.546 2.054 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CCCCN2c2nccs2)CC1 1851901433 PNLDGYMOYHZSKK-GOSISDBHSA-N 426.546 2.134 30 10 IEEE N#Cc1ccc([C@@H](CC(=O)NCCn2ncccc2=O)N2Cc3ccccc3C2=O)cc1 1852665411 MZHNCLBSFFBDRE-OAQYLSRUSA-N 427.464 2.019 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)n[nH]2)c1C 1853099154 BOHDPFRORIYBSD-UHFFFAOYSA-N 431.504 2.090 30 10 IEEE COc1cc(CCC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)ccc1F 1856258664 DGEMUTUEFJKBSB-MRXNPFEDSA-N 434.445 2.186 30 10 IEEE CCOC(=O)CCN(CC)C(=O)C(=O)/C=C/c1ccc(OCC(=O)N(CC)CC)cc1 1860635222 XRXVCKHCVWRQID-SDNWHVSQSA-N 432.517 2.318 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862510001 UNHUUHZDOJPUAU-SFHVURJKSA-N 431.416 2.428 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)cc1 1862736082 UZVWWFLCDWMLLB-GOSISDBHSA-N 425.397 2.015 30 10 IEEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN(CCO)CCO 1870320962 YZLJYWOYGQZHJX-UHFFFAOYSA-N 430.545 2.367 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCN(CC)CC 1870479719 NDNKBTXWHVTXJS-UHFFFAOYSA-N 449.592 2.323 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 1891026856 VFNGPUAUQMQSDO-HXUWFJFHSA-N 442.560 2.347 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c1 1891648440 LXYPOCUWQOZRRW-UHFFFAOYSA-N 446.421 2.323 30 10 IEEE C=C(I)C[S@](=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 1895212084 MVLNKGQBFLJGFY-BTKVJGODSA-N 431.292 2.440 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1895864397 KXIAXQZXANAHEX-ZJIFWQFVSA-N 427.542 2.236 30 10 IEEE C[C@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164487829 QIWXYEFFCQPMAF-NPPSGXECSA-N 437.493 2.044 30 10 IEEE Cc1cc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)ccc1C#N 2174786052 GAUMYWXGAWDEMF-IBGZPJMESA-N 429.498 2.183 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1cc(Br)c(C#N)cc1F 2225624410 ATYSFRDLDLGBQG-ILXRZTDVSA-N 430.274 2.213 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O 2229095773 GFFUTOVNKXTSDU-AWEZNQCLSA-N 425.279 2.089 30 10 IEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243423310 WVULIMVHEGPAID-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247921312 MYFWTDICPXNPRI-STQMWFEESA-N 435.355 2.276 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)s1 2255595234 PJVHCWXZPGDDIS-UHFFFAOYSA-N 442.390 2.332 30 10 IEEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255619878 TWKKSDYMKZDXFW-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255621248 JXWBYCGCMFNZAF-OAHLLOKOSA-N 431.342 2.428 30 10 IEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255634288 OTUXSFXSBKKHOI-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2255657746 TUBGCUSMAYVXBR-CQSZACIVSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255875351 WQYGGFKGMKMLBF-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE Cn1cc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129059 WTLJPEIAULDKSI-SHTZXODSSA-N 448.373 2.285 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267179912 WQYYPPLZGWJIFQ-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCC1 2267281226 UIXQUFUBAWIYDP-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267503793 JJMBOXCADXEOQN-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267513345 NKKPLASVNZTWMB-INIZCTEOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2267518074 CRTYIGFWIBDCOT-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 2296125895 SWZBATZAGANGFU-FQEVSTJZSA-N 426.469 2.432 30 10 IEEE Cn1cc([C@@H](O)C(=O)C#Cc2ccc(Br)cc2)c(I)n1 2296232185 LJARDPTXPWNDQD-CYBMUJFWSA-N 445.054 2.441 30 10 IEEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2302955226 LNDMATCLJJQDBO-FQEVSTJZSA-N 449.617 2.182 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2310283514 DLUGORKJWIVQKD-KLHDSHLOSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2312861676 UVRHSECFXVTBAA-DMRKSPOLSA-N 436.358 2.155 30 10 IEEE O=C1NC(=Nc2cc(C(=O)O)cc(C(=O)O)c2)SC1=C1C(=O)Nc2ccc(F)cc21 2314557221 SUWPGLUFSGPDSJ-UHFFFAOYSA-N 427.369 2.436 30 10 IEEE COc1cc(C=Nn2c(Cc3cccs3)nnc2SCC(N)=O)cc(OC)c1O 2330366396 XFTKTYBJVZLMLB-UHFFFAOYSA-N 433.515 2.113 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2337282755 HUBPSMSAPJOHRL-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc1 59884705 JJEBFISSKGBIPU-SSDVNMTOSA-N 440.489 2.063 30 10 IEEE CCOC(=O)c1ccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCCO)C2=O)cc1 105534352 NSLZJICCBSHPTH-SFHVURJKSA-N 441.509 2.498 30 10 IEEE CN(CC/C(N)=N/O)C(=O)c1cc(I)ccc1Br 234303837 HZNPDWDGVQRHFG-UHFFFAOYSA-N 426.052 2.262 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 464425636 ICRZDBXPIKTJTM-CQSZACIVSA-N 433.452 2.378 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 470264150 OLQUVXWOQVPECB-UHFFFAOYSA-N 432.477 2.445 30 10 IEEE CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479508445 FUDSJDXPNYRMPU-GOSISDBHSA-N 431.489 2.388 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)C2=O)cc1 485992864 VAESUWRJYQDKRT-LEWJYISDSA-N 432.480 2.207 30 10 IEEE N#Cc1ncn(CCNC(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)n1 491123914 PVMKAAFHCVTJNR-XLIONFOSSA-N 436.447 2.039 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)C2=O)cc1 505664681 SUYUKJKWTGVRLX-UXHICEINSA-N 436.537 2.465 30 10 IEEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 508881218 OWGLSIYRCMGILQ-SFHVURJKSA-N 443.548 2.316 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cc1F 521838650 DWBAYUVUZHLDSP-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C[C@H]2CCCCN2C)CC1 522550450 ABDVPEKTVPUDBW-OAQYLSRUSA-N 444.624 2.054 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc3c(c2)OCCO3)c1=O 524749146 SDTOLFIQFHFTFP-UHFFFAOYSA-N 448.500 2.444 30 10 IEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1C 557464180 XOYWVGXBLYHRAP-UHFFFAOYSA-N 443.573 2.482 30 10 IEEE COC(=O)c1c(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)sc2c1CCCC2 572329072 XEHQRUZICVGIPN-UHFFFAOYSA-N 439.541 2.441 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCCO2)CC1 574766480 RCMMIYUNGDLTPE-FPOVZHCZSA-N 438.532 2.133 30 10 IEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 579737849 SHCADNYMWFZRBV-QFIPXVFZSA-N 439.608 2.071 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC1CCC(C#N)CC1 579885078 FHGLQJCXUKQILK-UHFFFAOYSA-N 448.589 2.081 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C(=O)O)c1cccc(Br)c1 614333875 KHVKVNINKSOWEV-HNNXBMFYSA-N 425.260 2.434 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2ccc(C#N)cc2F)C1=O 729818469 UUFHOYRLLTYSDW-INIZCTEOSA-N 427.461 2.369 30 10 IEEE Cc1ccc(-n2c(N3CCOCC3)nn(CN3CCN(C4CC4)[C@@H](C#N)C3)c2=S)cc1 732672991 RLOTVSBAKLDOJZ-FQEVSTJZSA-N 439.589 2.178 30 10 IEEE Cc1nc(=NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n(-c2ccc(C#N)cc2)[nH]1 740689226 ZBWVDVXAVDILRK-UHFFFAOYSA-N 444.904 2.025 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 746311261 CMHUKXUZJCCRPN-QBNCKDSPSA-N 428.489 2.285 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(Cl)cc2)C1 760299433 MAPOHMRTMGWPKK-CABCVRRESA-N 437.953 2.211 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cc1 761055562 LVLOEMIXBQEXPN-UXHICEINSA-N 431.945 2.427 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NN=C2CC(=O)N(C(=O)OC(C)(C)C)[C@H]2C)nc1 766430724 CMDGWYJHDMBKLA-ZDUSSCGKSA-N 439.538 2.436 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCF)c1 767734466 DLOQIUYSIZVOEA-KRWDZBQOSA-N 437.541 2.004 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)CC1 767936353 RCCGFHDSOOHJRB-IPQPSQTFSA-N 432.565 2.141 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780857124 WDPMYAQYJKIBQU-NRFANRHFSA-N 441.553 2.422 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)N(CC#N)c2ccccc2)CCCC1 786297533 XFINTJOVHZAJHX-UHFFFAOYSA-N 437.500 2.180 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)c1 790016056 BWGVARDMKYQWHX-XWIAVFTESA-N 431.562 2.053 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 790244409 GWNQHJHGYOREBF-HXOBKFHXSA-N 434.581 2.144 30 10 IEEE C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H]1CNC(=O)OC(C)(C)C 804158737 AARCJIVWHOLQGD-KDOFPFPSSA-N 432.496 2.465 30 10 IEEE CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)ccn1 856638257 XKQYEBBZOKWKFF-JOCHJYFZSA-N 445.527 2.466 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(C2CCN(C(=O)C(C)C)CC2)C1=O 914556751 JWDOYANHUCKMTB-GOSISDBHSA-N 446.573 2.410 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Cl 917929937 JVEUPMQVMHWCAZ-OAHLLOKOSA-N 432.933 2.392 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1C 923505412 CEZKGUFSQHXKGR-OAHLLOKOSA-N 445.497 2.143 30 10 IEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3cccc(OC)c3)n2)o1 1084239596 DXOFOQCFYIBTMO-UHFFFAOYSA-N 430.494 2.003 30 10 IEEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1cccc(F)c1 1084399078 OBJLPJOLPZJWCZ-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)c2cc(I)nn2C)c1OC 1127854381 OULNXBJDANMENY-JTQLQIEISA-N 426.214 2.037 30 10 IEEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1137335814 FUNDSNBZVMWBKK-RTBURBONSA-N 449.596 2.119 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1152041730 LBEPTOKZZULONC-MRXNPFEDSA-N 440.566 2.094 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cnc(I)c(O)c3)C2)nc1 1156246970 DUTORNOWTUCPKT-ZDUSSCGKSA-N 449.252 2.375 30 10 IEEE CN(C)C(=O)COc1cccc(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 1221218057 HPRDJGLXCAWXRA-UHFFFAOYSA-N 435.528 2.493 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286356952 WHDIUASECIUZCO-HXUWFJFHSA-N 438.580 2.135 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286394310 OJBUQPXUJHYVSQ-AWEZNQCLSA-N 436.525 2.468 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](COCCOC)C1 1286560642 HIRZKXAYVLXOOY-BJLQDIEVSA-N 428.537 2.206 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286758797 VDUFKMMIEZWFHA-VJANTYMQSA-N 435.594 2.226 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)C1 1286809757 LABZJWQXKZJYDI-PMACEKPBSA-N 425.533 2.295 30 10 IEEE Cc1ncc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1290482048 GYADMMXVMDBQAZ-HTXNQAPBSA-N 438.517 2.201 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccnc(-n3cccn3)c2)n1 1290592893 CLUFZKGAGUVBFK-INIZCTEOSA-N 430.520 2.365 30 10 IEEE COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)N(C)C)c1 1300339370 GVMSOAPOXCGFEQ-LZQZEXGQSA-N 425.537 2.279 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300500730 CNPWRMOLNQCDCS-RXVVDRJESA-N 448.614 2.372 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300502843 YNESSCJSZJRAOS-LJQANCHMSA-N 428.558 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 1300505746 HVQMLKKWEBQMBJ-UHFFFAOYSA-N 448.449 2.068 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1300509535 OMRGEBPKOMBOCY-AWEZNQCLSA-N 439.463 2.028 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2c(CC)nn(C)c2OC)CC1 1300706071 HWAFOROMSTVSKR-UHFFFAOYSA-N 447.587 2.171 30 10 IEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@H](C)C1 1301251544 FXXBDPGZJJYDTG-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1301509806 NKIZLYBTYGJCNM-FQEVSTJZSA-N 439.560 2.455 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCCCC1 1302310728 CTDHMMFDTMPDHW-SXLOBPIMSA-N 433.553 2.470 30 10 IEEE C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)Oc1ccccc1 1303685936 FTUPLCPBJQCFKB-HOTGVXAUSA-N 432.550 2.096 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1303902744 YATWUJJOXZYYRW-IFXJQAMLSA-N 429.435 2.076 30 10 IEEE C[C@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)C1 1305166181 UNTPIIRQWHNZRK-UDJKBAMHSA-N 436.520 2.134 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@H](C)C1 1305792604 UEHFAGRZOOFKGB-AZUAARDMSA-N 445.612 2.437 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(C2CCCCC2)c1C 1308128097 LMIJIOJLMXIIOZ-HTAPYJJXSA-N 443.573 2.291 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1316227343 AMMLERNZKSXYPN-OAQYLSRUSA-N 448.527 2.375 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1316350868 AAHMTNNEBRLTBC-SFHVURJKSA-N 441.916 2.102 30 10 IEEE CS(=O)(=O)NCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(C#N)c1 1316361487 KLYLKYDZRIRXKT-UHFFFAOYSA-N 440.533 2.106 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 1358956442 FZTAEPQDZJDAKM-NLWGTHIKSA-N 447.630 2.358 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1358960604 IFXHUEFPLQRDST-INIZCTEOSA-N 444.586 2.032 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CCCO1 1358987571 LHLQIUWZKMQKGL-QFIPXVFZSA-N 426.542 2.381 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1359028755 CVUPVAXIIJBBSD-HXUWFJFHSA-N 426.565 2.132 30 10 IEEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359233558 JKUIOMFZXAUVSL-LJQANCHMSA-N 441.536 2.418 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1359270757 AQBMMQHENIGSNP-HNNXBMFYSA-N 425.480 2.239 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1359314574 DCFCJQJKEKPLMP-QAPCUYQASA-N 447.517 2.069 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C2CC2)C1=O 1359929495 HNXCIJVASIQBJB-HTAPYJJXSA-N 427.553 2.006 30 10 IEEE Cc1nc(=NC(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1361055753 QEUBKYJWBXXWKC-RTWAWAEBSA-N 432.532 2.055 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 1435491061 HOROITYSAPVVQQ-UHFFFAOYSA-N 434.905 2.070 30 10 IEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1451224441 OXLDMIMMHQWFBT-UHFFFAOYSA-N 435.468 2.271 30 10 IEEE CCCOc1ccccc1C(=O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1454877539 PORGXCJQTQNLAD-UHFFFAOYSA-N 429.498 2.198 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)C1 1455707720 XZEKQILSTWWWFZ-HXUWFJFHSA-N 427.545 2.304 30 10 IEEE C#C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1463305151 KLMZZXQLDVFCQO-IBGZPJMESA-N 432.542 2.278 30 10 IEEE COC(=O)c1ccc2c(c1)N(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1463363749 CHNCNLBBXVCCQI-GOSISDBHSA-N 432.436 2.139 30 10 IEEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)COC1 1464689789 ACPZTBSNEAQSQT-UHFFFAOYSA-N 442.516 2.419 30 10 IEEE COC(=O)C1CCN(CCCNC(=O)COc2cccc(Br)c2C#N)CC1 1464878973 IZGXPLYBHMDZBB-UHFFFAOYSA-N 438.322 2.091 30 10 IEEE COc1ccc([C@@H]2COCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1471436674 PFRUURJEFOYYCI-IBGZPJMESA-N 443.525 2.114 30 10 IEEE C#CCN(CC(=O)N=[S@](C)(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 1473167797 KTIQVJFBFCCATQ-MQNRADLISA-N 428.352 2.309 30 10 IEEE COCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1504553940 NKACKNIAPMXRIF-UHFFFAOYSA-N 433.520 2.001 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507878107 SINAAHQTPPVNNS-KKSFZXQISA-N 432.546 2.045 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCCCC2)C1 1508132686 YUDIOBCWNUAGGZ-WOJBJXKFSA-N 430.597 2.304 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CNC(=O)CCC)C2)nnc1C(C)(C)C 1508148761 JQVWVMXGFGDYRW-QGZVFWFLSA-N 439.626 2.309 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C1CC1 1510018182 HOOOOGHNBBONSW-OXQOHEQNSA-N 442.589 2.313 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1510037982 ZCRSAWJZZOYQGF-SFHVURJKSA-N 441.543 2.360 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)s1 1511733638 FXQATYMRCXVTNG-UHFFFAOYSA-N 445.574 2.090 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1516962204 HWBXFDARJRRSOW-UHFFFAOYSA-N 432.532 2.413 30 10 IEEE CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1517073541 NHYIQFLDFZANBD-MUKKYZEKSA-N 428.537 2.322 30 10 IEEE COc1ccccc1Cc1nnc(N(C)CCCS(C)(=O)=O)n1Cc1ccc(C#N)o1 1518454910 QTCNNOJGISPPRE-UHFFFAOYSA-N 443.529 2.261 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1519451065 UDUCCECYWKKLQQ-IHPCNDPISA-N 441.532 2.007 30 10 IEEE CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=Nc1ccc2ccccc2c1)c1ccccc1 1525201405 SUZUDNSPZNCADX-FQEVSTJZSA-N 435.505 2.290 30 10 IEEE O=C(C1CCS(=O)(=O)CC1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538727212 RPZFIVZVQCLQGN-RKDXNWHRSA-N 429.329 2.441 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1539432044 XKASJMBUNPWBPL-HKUYNNGSSA-N 426.540 2.030 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1539705490 WTAODHRCGXVBLL-KRWDZBQOSA-N 441.504 2.102 30 10 IEEE COc1ccc(CCN2C[C@H](C(=O)Oc3c(C)nn(CCC#N)c3C)CC2=O)cc1OC 1539733317 UHUMNDRPLOGJBX-GOSISDBHSA-N 440.500 2.427 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H](C)C1CCC1 1539803160 FTFCBBIVOJUBFW-HOCLYGCPSA-N 431.990 2.378 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1539976631 AZVWVVLLICQCRT-OAHLLOKOSA-N 430.940 2.495 30 10 IEEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539989325 UIDMEVAXTRRNLJ-UHFFFAOYSA-N 429.956 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1540484163 OWMYIKSIKIEVIU-IBGZPJMESA-N 449.596 2.120 30 10 IEEE C#CCN1CCCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1544084065 FLECHWDNBMFXGC-SFHVURJKSA-N 430.553 2.021 30 10 IEEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1548231000 OCOHVQIOTRSBJI-UZLBHIALSA-N 439.557 2.219 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C1 1557243213 OGAZOIZRCAWLQA-IBGZPJMESA-N 433.443 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1558465737 NWHIPCHKWXYXCH-JTSKRJEESA-N 429.521 2.118 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)ccc1F 1558802359 IDXMUACGKIVHGX-OKILXGFUSA-N 427.498 2.076 30 10 IEEE C#C[C@@H](NC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1564604011 WPNKXLIYSLVOKD-PLACYPQZSA-N 446.592 2.425 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4)CC2)cc1 1565347838 DSIVYNXACACXDX-AYHJJNSGSA-N 434.587 2.248 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1585916295 AFZZHECHFFNBHV-UXHICEINSA-N 429.565 2.068 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1586056219 USQRVGXBSYNCHM-UHFFFAOYSA-N 440.525 2.142 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)cc1 1586932042 LIIVLQMXFCVTJF-UHFFFAOYSA-N 435.452 2.192 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCOCC1 1587603835 PHPXILGNVJEQDP-ROUUACIJSA-N 425.533 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)NCC(F)(F)F 1588109398 DHOZEMLSXUMLMC-UHFFFAOYSA-N 439.825 2.358 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1589664319 XWFWVDQUUSBOTM-BBWFWOEESA-N 429.562 2.152 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594651062 FQZBNBUGCBNUDN-OAHLLOKOSA-N 437.591 2.249 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1594857159 JJILYOKNFFVWKI-GJZGRUSLSA-N 444.602 2.060 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1595213310 ZDQGKTPHDFMWCT-LJQANCHMSA-N 438.532 2.409 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccn2)CC1 1595489714 IDBFQOPGJTUBMA-UHFFFAOYSA-N 438.923 2.017 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1595562408 XVQXUYOVPVGTGU-UHFFFAOYSA-N 442.951 2.149 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)C1 1595729719 OCZMZZZARQKCBR-QFBILLFUSA-N 427.505 2.050 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1611253368 UXFOXIRQHIEEDO-GOSISDBHSA-N 445.568 2.156 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN(c4ccc(C#N)cc4F)CC3)OC2=O)C1 1615384449 YKNQWQWXQGSUOA-QGZVFWFLSA-N 444.507 2.372 30 10 IEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1619423565 UQVPKNRNWHJJNR-PMACEKPBSA-N 441.532 2.192 30 10 IEEE CC(C)N1CCC(O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1622868886 JCJNUTKAFCZVQU-WUZYXKQASA-N 434.581 2.125 30 10 IEEE C=CCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1624303049 DNRZVPZXUVJTGO-YJBOKZPZSA-N 426.510 2.241 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 1624706891 UTDYKRNFUIZEBP-UHFFFAOYSA-N 430.472 2.317 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)n[nH]2)c1C 1624810958 CLBXTQQNFYWSLO-JOCHJYFZSA-N 447.543 2.060 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)c1cc[nH]n1 1627639336 BGYMAEQUYIXWNM-UHFFFAOYSA-N 441.419 2.336 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 1628146111 ACHNQRKOSKCNII-LJQANCHMSA-N 440.371 2.337 30 10 IEEE CC(C)(C)[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nc(=O)o[nH]1 1630795671 XXNALHJCUAKVFK-AWEZNQCLSA-N 434.294 2.337 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4cncc(OC)c4)CC3)ccc2c1=O 1631145472 DQJALWABNSMMHB-UHFFFAOYSA-N 437.525 2.237 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cc1 1632428947 DSQZAPQVBYAYOC-XGICHPGQSA-N 446.500 2.340 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1636614631 ZEUYKWBCUXBORW-JFIYKMOQSA-N 433.530 2.084 30 10 IEEE Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1637111726 KRIWIZYMEXJRDP-SAWYMBPVSA-N 438.553 2.368 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cc(C#N)ccc2O)cc1 1637620526 UFTWJLSGEBHTTA-LPHOPBHVSA-N 429.498 2.150 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)C2)nc1 1637843007 FDNPLAVRVZSILM-LNLFQRSKSA-N 426.498 2.121 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 1638032962 DIHJFEWPKMWJPE-NRFANRHFSA-N 425.510 2.217 30 10 IEEE N#Cc1ccc(C2(NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CCC2)cc1 1639189571 KBRWSBBWECEBBE-GOSISDBHSA-N 433.917 2.046 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)COC1 1641897050 WTBVCTYVFFRUCI-HNNXBMFYSA-N 440.541 2.374 30 10 IEEE COC(=O)[C@@]1(NCC(=O)N(CCC#N)CCC#N)CCc2cc(Br)ccc2C1 1647798869 SQXRPKHPDJRAQG-HXUWFJFHSA-N 447.333 2.095 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1663253710 ZBMLTILGHLXGTM-UHFFFAOYSA-N 426.482 2.092 30 10 IEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1687572204 KVGIHHKMWZNLHK-BBWFWOEESA-N 427.567 2.303 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CC=CCC1 1689848157 PSYRBWFWHLSEBQ-SFHVURJKSA-N 431.544 2.395 30 10 IEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1689930757 YXXCHUWXLJQDQK-PKOBYXMFSA-N 435.594 2.026 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689986076 IDMCZFRASOPUJP-AWEZNQCLSA-N 427.452 2.309 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1690105976 GUXZPAMUVQBYRK-UHFFFAOYSA-N 448.531 2.210 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2noc(CC)n2)CC1 1690132319 ODGUEEOTMOZUHV-UHFFFAOYSA-N 449.559 2.417 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2c(C)coc2C)CC1 1690148543 KKNOLCLYIJYIRI-UHFFFAOYSA-N 432.528 2.488 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690236598 OVSAJONLSGRGPI-SCTDSRPQSA-N 427.553 2.125 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1690526680 BUHADQZEQMVIOB-CVEARBPZSA-N 441.598 2.352 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)COC)C1 1690691680 JYKKJFKICPWHKT-LJQANCHMSA-N 438.536 2.375 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccc(C#N)o1 1692540893 TUAIXQHQHYUKGH-UHFFFAOYSA-N 444.499 2.128 30 10 IEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)c1 1693229471 GSLZBAWDDGEBSG-FPOVZHCZSA-N 441.532 2.338 30 10 IEEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1O 1697452560 BDZPZFMTEIDGFX-KRWDZBQOSA-N 445.545 2.073 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705537077 SZEYJSJTSSXLMP-UHFFFAOYSA-N 446.577 2.064 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccc(F)cc2)n1 1705631868 RJIMQUAHGQKWNL-IBGZPJMESA-N 438.507 2.452 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705643569 KVSJAMCNNSEULF-ZWKOTPCHSA-N 432.569 2.140 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705830714 WBIPFUUZHJBGMR-DYESRHJHSA-N 441.532 2.440 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1Cc2cccc(Br)c2C1 1705900739 NWMRMIBNAUSRHL-UHFFFAOYSA-N 440.305 2.320 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@H](CN3CCCCC3)C2)n1Cc1ccc(C#N)o1 1706602612 RRHZEBDYQNYRMR-QGZVFWFLSA-N 425.537 2.241 30 10 IEEE COCCN(C)c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1712409227 WSNFRBUTQSARBO-ZPHPHTNESA-N 430.896 2.208 30 10 IEEE CO[C@@H]1CC[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCNC(C)=O)C[C@@H]21 1712674075 YVQZTGWWCSIUNK-HLAWJBBLSA-N 438.532 2.116 30 10 IEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccnn2)CC1 1722329936 ODEQRMCODJVMDD-UHFFFAOYSA-N 433.516 2.492 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722472025 ZJDNMUDRPXHAEE-DYESRHJHSA-N 428.562 2.065 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1722475970 KDBKMBJRBBFJFH-OAQYLSRUSA-N 442.545 2.104 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1722509139 WNMIQVJHXXVFFJ-ICSRJNTNSA-N 442.564 2.233 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CN(C)C)c2)CC1 1722559629 CTEUXMMSBAXNRR-KRWDZBQOSA-N 432.594 2.155 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCC 1722723976 JWOSMYMQLNBNSD-UHFFFAOYSA-N 430.372 2.493 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722737792 RGUHKQYBNBXQGN-HKUYNNGSSA-N 429.594 2.201 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1723076965 JYFFRZRBFDDROA-UHFFFAOYSA-N 441.536 2.298 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@@H]1CCOC1 1723329209 AICVMJMYVRBHLU-HXUWFJFHSA-N 439.564 2.265 30 10 IEEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)s1 1726244207 DNMJHEQZUWCFCE-AWEZNQCLSA-N 436.545 2.276 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C1 1728412242 GYWIIUGXQNGUPP-LJQANCHMSA-N 444.605 2.420 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c(-c3ccc[nH]3)nnc2N2CCC(C#N)CC2)cc1 1730993776 BSTOZCJZAWSVPF-UHFFFAOYSA-N 440.529 2.496 30 10 IEEE CS[C@H](C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1731049498 YXBAVTUWIITNHF-PLMTUMEDSA-N 434.610 2.247 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1740573312 AZJOTTWTQQMIEW-ICSRJNTNSA-N 449.621 2.416 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)COCCO1 1740609066 HORGJCXROPRSLO-QFIPXVFZSA-N 433.553 2.268 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C2OCCO2)c1 1740644622 NKERYORTMVJMPD-UHFFFAOYSA-N 433.512 2.071 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCO[C@@H]1C 1740682269 PLBOKRRXAQIMBP-FOIQADDNSA-N 449.349 2.334 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1740774117 MIWULYNSTMAUMD-KRWDZBQOSA-N 439.607 2.432 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740859668 PEXZTCTYODOOSO-HKUYNNGSSA-N 443.573 2.420 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1741983191 HOVMFCXYRBJEEH-QFIPXVFZSA-N 440.523 2.420 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745883756 VWMOOWXLQIMMKI-UHFFFAOYSA-N 435.463 2.097 30 10 IEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1746553045 DNAWIXYEIFNHCA-UHFFFAOYSA-N 438.517 2.304 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)C[C@H]1O 1748333236 OODYSOVGZCRWBS-RTBURBONSA-N 439.516 2.136 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCCCC1 1748956822 KTYLVDRSCVSCIB-UHFFFAOYSA-N 426.517 2.498 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749039671 YQRNKDUVDJDLTL-IBGZPJMESA-N 431.606 2.377 30 10 IEEE C=CCCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1749439613 FATYMBJHPJQTJY-NZQKXSOJSA-N 433.597 2.445 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1749582999 SUTCXNNLUUAYQP-IEGUWTFLSA-N 446.596 2.294 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1749650280 QFXXFGCBMKZGEA-CQSZACIVSA-N 444.486 2.218 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1749669488 LKMMUKRXUMUQQD-NHCUHLMSSA-N 438.576 2.043 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749736294 HQKXCFWQPOMVLF-OALUTQOASA-N 448.564 2.472 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ncnn1C(C)(C)C 1750735243 CQHXJDJGATXIQR-UHFFFAOYSA-N 435.536 2.406 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1750883112 FZZXWEKQNLPCSN-XMMPIXPASA-N 437.592 2.458 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1760097642 ICLVPFWOGORJNX-ZIAGYGMSSA-N 438.623 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1760099420 GQEZQCNORUFZPB-KSFYIVLOSA-N 429.521 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1760208821 KJALCJDKSLHMJL-UHFFFAOYSA-N 427.593 2.308 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2OC)C1 1760217874 PMMKPLYMLLWEHQ-VQTJNVASSA-N 446.555 2.227 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1760249645 POGAKIDVENTSDA-KEEVHDRGSA-N 430.574 2.185 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1760252697 UROUUVZQCGARNY-KRWDZBQOSA-N 444.967 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCCC2)CC1 1760258491 MXNZPJODRZFPFK-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(C)nn(C)c2C)CC1 1760268815 PWCYIYDWVFJXKF-UHFFFAOYSA-N 446.559 2.013 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760271591 CXRRNTGDZMLTSP-UUOWRZLLSA-N 438.576 2.027 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)CC1 1760325057 NVSJKKMJYSOOQM-PGRDOPGGSA-N 425.533 2.185 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1760432397 IYOLZCVPINCLSH-MRXNPFEDSA-N 435.598 2.455 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1760452913 LIYOQUYZEZPPJN-UHFFFAOYSA-N 430.597 2.419 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(Cc1ccnn1C)C1CC1 1760507687 YDZGKWRKSJCJRN-UHFFFAOYSA-N 441.561 2.284 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(C)=O)CC1 1760532175 MXLCACXTHJPTCT-UHFFFAOYSA-N 440.548 2.134 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)CN(C)C2=O)C1 1760539387 NHWBDNJWWJTEDR-UTKZUKDTSA-N 426.477 2.113 30 10 IEEE Cc1c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)cnn1C 1761629240 IENJFCQZYWPTJR-NVXWUHKLSA-N 425.468 2.376 30 10 IEEE COc1cc(OC)c(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1768358783 WGJFAEBDJICLCP-FUHWJXTLSA-N 443.504 2.127 30 10 IEEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCOC(F)(F)F)cn1 1769005992 YJAASDZJWABYOE-UHFFFAOYSA-N 448.409 2.140 30 10 IEEE COCCOCc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1770129026 UIQPQJKZOIVSRP-LEWJYISDSA-N 441.532 2.112 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)C1 1771350580 VETVPTPQGOYNGY-HNNXBMFYSA-N 447.467 2.283 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC(F)F)CCN1C1CC1 1771535838 AQNGVZUQUHQAOK-QGZVFWFLSA-N 447.446 2.312 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)c1 1852446396 HHLBZSMZBYPKII-LEWJYISDSA-N 438.528 2.012 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)Cc3ccc(Cl)s3)C2)C1 1856389368 QVWWFIZAUJLEOQ-ZDUSSCGKSA-N 430.917 2.349 30 10 IEEE N#Cc1cccc(C(=O)OCC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 1860050702 FTWNMABBKBPZJK-UHFFFAOYSA-N 431.448 2.250 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cc(Br)ccc1O 1864433279 OBLULIUPEXRZIK-CQSZACIVSA-N 433.306 2.447 30 10 IEEE COc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C#N)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867794145 GUJVXTPQHLZTAU-BBRMVZONSA-N 426.429 2.420 30 10 IEEE COc1cccc(OCC(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)c1 1870159629 MVKRVZGCMWEPHO-UHFFFAOYSA-N 439.428 2.191 30 10 IEEE C=CCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(NCCNC(C)=O)ncnc21 1873633713 AJPAXLKPHMMVFA-UHFFFAOYSA-N 435.488 2.376 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccnc2)cc1OC 1874200246 ROAIVSSSIVBLQJ-ZMOGYAJESA-N 440.529 2.325 30 10 IEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cccc(O)c1 1874241105 PJCWGCQCRPYHHK-SSDVNMTOSA-N 427.486 2.421 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874349959 NIWNZLDPRJAKNG-FSJBWODESA-N 439.497 2.108 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccnc1 1874436127 NIKBRDKOBVXSPA-ZIFAQYRBSA-N 437.529 2.161 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226629 OEKSEUBRMQNJPM-CALCHBBNSA-N 440.548 2.291 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c1 1891004007 VYIUEPRNNKKTEC-UHFFFAOYSA-N 428.431 2.184 30 10 IEEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1 1891529785 YFMMRYCSSXUBFB-UHFFFAOYSA-N 439.493 2.444 30 10 IEEE CN(CC1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ncccc1C#N 1891643813 RJQILWDQLORZBS-UHFFFAOYSA-N 428.543 2.495 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1992855927 GOAWGUFYZAZWFE-HRCADAONSA-N 427.542 2.190 30 10 IEEE CC1(C)OB(C2[C@@H]3CN(S(=O)(=O)N4CC(OCc5ccccc5)C4)C[C@@H]23)OC1(C)C 1999983364 LRZAXFMTLHKOGZ-QZTJIDSGSA-N 434.367 2.156 30 10 IEEE C[C@H](OC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1)C(=O)NC(=O)NC1CCCCC1 2040425280 SIHKKEGGBDZRRY-ZDUSSCGKSA-N 447.454 2.434 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CO1 2060638343 VUXQQBTXBOSFHM-VGWMRTNUSA-N 436.358 2.467 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnc2c1nc(Br)n2C 2180888927 QAWVOYABTKIUBI-SNVBAGLBSA-N 437.298 2.371 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2224097672 MTFZKZQPGZPCAT-DOTOQJQBSA-N 433.358 2.093 30 10 IEEE C#CC[C@H](O)CNC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102873 PSVWTNQYSRURSQ-JKSUJKDBSA-N 425.323 2.385 30 10 IEEE C=CCN(CC(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2244376810 XZWSIHBZOZJMIF-OAQYLSRUSA-N 427.542 2.288 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247921334 NIGDRPXGWONHTD-JSGCOSHPSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2255540179 JXFNJFQMJTUDOJ-AWEZNQCLSA-N 433.314 2.052 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@H]2CCOC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255627185 PDUQTRJZUDGZDB-SFHVURJKSA-N 425.338 2.459 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2255627432 SVFZYUIKQSTVRZ-OAHLLOKOSA-N 434.346 2.132 30 10 IEEE CC(C)[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2255651979 NUCQCNAVCGNXLS-OAHLLOKOSA-N 434.346 2.055 30 10 IEEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3COC3)c(O)cc2O)OC1(C)C 2256014809 QGDDPUGJESVNRC-UHFFFAOYSA-N 425.290 2.438 30 10 IEEE CC[C@@H](CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256067107 LCASNQHFPZCFKR-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267267430 XEFRRZCPQCAXJI-HUUCEWRRSA-N 446.357 2.199 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2267496339 ABAXFRHSNIXXPS-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2267524876 WMAZNPIQCAXPFZ-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548092 DJHXCKANIHIHDJ-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2267594788 UBBINFFVEHZZRM-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C[C@]23C[C@@H]3NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268717626 LXZMKVCAURYGSC-XUHFEKCNSA-N 444.341 2.326 30 10 IEEE C=CCCC(C)(C)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270504658 WMHJBFXNBNDKFW-KRWDZBQOSA-N 426.535 2.366 30 10 IEEE COc1nc(O[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317545093 NHHPDDNNLPBOPJ-LSDHHAIUSA-N 436.314 2.060 30 10 IEEE CCOc1cc(C=Nn2cnnc2SCCCO)ccc1OCC(=O)N(CC)CC 2321318941 KDPKWIKFWMEHCC-UHFFFAOYSA-N 435.550 2.281 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)n1C 2337191213 WQEOBDILZMGXAL-CABCVRRESA-N 448.373 2.061 30 10 IEEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](O)c1nc(Br)nn1CCOC 2353730283 QZISASPWSKYWKN-JKSUJKDBSA-N 425.327 2.081 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccncc1 10491395 ISCBILVGQAEGAB-QGZVFWFLSA-N 449.602 2.290 30 10 IEEE CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)NCCN2CCOCC2)cc1 22694336 JJEGSLVRQVNXNK-UHFFFAOYSA-O 443.549 2.305 30 10 IEEE CN/C(=N\c1ccc(C(=O)OC)cc1)S[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 34701068 SQOROEJGWPKNBO-MRXNPFEDSA-N 441.465 2.444 30 10 IEEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1-c1ccccc1 59776538 IHQYSGCCLGEPAE-UHFFFAOYSA-N 447.571 2.291 30 10 IEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)cn1 59831797 DMUGPWGVXKXLBS-UFFVCSGVSA-N 426.506 2.050 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)cc3F)n[nH]2)cn1 59886798 BFNIRAJEYHDCAW-DNTJNYDQSA-N 432.485 2.272 30 10 IEEE C=CCS(=O)(=O)[C@@H](C)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 71542093 PEYALQMZEYWFLI-KXBFYZLASA-N 439.530 2.446 30 10 IEEE C=CCNC(=S)N1CCN(CCNC=C2C(=O)CC(c3ccc(C)cc3)CC2=O)CC1 104819444 CSGFNJJHZMELED-UHFFFAOYSA-N 440.613 2.162 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)CC1 106289146 KQTAWHHVZRNBJN-UHFFFAOYSA-N 438.503 2.446 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1 427997876 SYAYWJLOEVMDJT-CJWGEJFDSA-N 426.538 2.003 30 10 IEEE CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431220079 ANBQVWNASSNCCV-UHFFFAOYSA-N 447.651 2.367 30 10 IEEE COc1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1 438277823 IDCWCQICHVTILO-UHFFFAOYSA-N 430.486 2.208 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccnn2Cc2ccccn2)CC1 446190598 DZFFSVVOHACXIT-UHFFFAOYSA-N 445.483 2.038 30 10 IEEE Cc1ccccc1CC(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462091235 RWRNDSVWCUIXKX-UHFFFAOYSA-N 429.484 2.366 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 462768126 ZXZZPQJELJMHEG-NRFANRHFSA-N 444.557 2.440 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 466107518 NHPGOYZSSSNDMF-SFHVURJKSA-N 446.504 2.229 30 10 IEEE CN(CCN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1)Cc1ccccc1 481064279 USSOBVQSZPITEA-UHFFFAOYSA-N 430.549 2.277 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1C#N 489104717 KHVVYHHZPBXVMM-INIZCTEOSA-N 438.513 2.379 30 10 IEEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 504611658 HZJPHYKPMZUOBA-DZGCQCFKSA-N 436.925 2.237 30 10 IEEE C=C(CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 512673643 RWXHAVPZCGQFII-UHFFFAOYSA-N 430.486 2.324 30 10 IEEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 527479070 SBIJOCLVBQANDG-UHFFFAOYSA-N 430.468 2.432 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 533377180 CFGJTNSMWXZBPE-HXUWFJFHSA-N 425.577 2.198 30 10 IEEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544863491 JUNGWFIZEMEQPY-UHFFFAOYSA-N 441.557 2.094 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 549261334 QAQPDHQDFBOQQC-SFHVURJKSA-N 433.459 2.183 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 549706118 RENYIHJLZJHCSC-CQSZACIVSA-N 429.506 2.115 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 679755647 ZIFOKPLKYZQSER-HNNXBMFYSA-N 444.578 2.421 30 10 IEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#N)cc1F 703984624 OOTFZQCVKNKTBE-UHFFFAOYSA-N 429.473 2.439 30 10 IEEE COc1c(O)cccc1/C=C\C(=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729823951 UZRSKBIOACQFIY-KHPPLWFESA-N 425.484 2.023 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CCN1C1CC1 732650704 CCQCOIWIVQPEHP-HXUWFJFHSA-N 428.492 2.338 30 10 IEEE COc1ccc(OC)c(/C=C/C(=O)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)c1 733867618 OMBUEDNJHYKCEA-CSKARUKUSA-N 439.511 2.326 30 10 IEEE COc1ccc(Cn2ncc(C)c2NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1OC 746214717 AKSCODACDUTAKA-XDOYNYLZSA-N 439.472 2.112 30 10 IEEE COc1ccc(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1C#N 746680734 OJHGZBRYSFAOEC-UHFFFAOYSA-N 427.404 2.337 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](Cc3ccccn3)C(=O)OCC)ccc2c1=O 760630448 YWNNQZASOFBSQK-SFHVURJKSA-N 438.509 2.170 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)Cn1cc(-c2ccccc2)nn1 761993082 HZHFWUSMACZYQK-UHFFFAOYSA-N 427.424 2.184 30 10 IEEE C#CCN(C(=O)c1cc(I)cc(C)c1C)[C@H]1CCS(=O)(=O)C1 765009433 CXRQPHLOYXEZMI-AWEZNQCLSA-N 431.295 2.171 30 10 IEEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766418530 HFSRKSANGJZKCA-IBGZPJMESA-N 440.573 2.293 30 10 IEEE COC(=O)c1ccc([C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C(F)(F)F)cc1 775217718 XZABJZNZTUABRU-UYTDBDHRSA-N 425.363 2.109 30 10 IEEE CCOC(=O)c1c(NC(=O)NCc2ccc(OC)c(C#N)c2)c(C#N)cn1CCOC 775767849 UJTHCCCYBRITQW-UHFFFAOYSA-N 425.445 2.385 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCCN(C)c2ccccc2)N(CC[C@@H]2CCOC2)C1=O 784123024 ANMJHCMEZIZODB-QVTOUVPASA-N 432.590 2.376 30 10 IEEE COc1ccc(C(=O)CCC(=O)NS(=O)(=O)Cc2ccccc2C#N)c(OC)c1OC 784814158 IBPSDLUYMZWUAD-UHFFFAOYSA-N 446.481 2.193 30 10 IEEE C#Cc1cc(F)c(NCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)c(F)c1 787911805 YZIOFZDDSMJKRN-UHFFFAOYSA-N 438.434 2.215 30 10 IEEE N#C[C@@H](C(=O)CCOCC(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 791772640 DWLQNTGIIMQQJJ-INIZCTEOSA-N 443.472 2.180 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)=NO1 798852275 XDTJNSNJQGDDRH-MJGOQNOKSA-N 445.495 2.204 30 10 IEEE N#CC1(NC(=O)Cn2c(S)nc3ccccc3c2=O)CCN(Cc2ccccc2)CC1 799717563 PZXFORFTMXFFII-UHFFFAOYSA-N 433.537 2.360 30 10 IEEE COCCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCC(C)(C#N)CC1 802437453 OLPACVMTOYAJME-UHFFFAOYSA-N 446.577 2.184 30 10 IEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802585390 BRQTYFPFCKTUQP-UHFFFAOYSA-N 438.623 2.215 30 10 IEEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1 803196870 YTRUDINAYRPZQT-FXAWDEMLSA-N 436.541 2.195 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 804672927 VILUUAGSQYYURS-QRVBRYPASA-N 431.533 2.466 30 10 IEEE CC#CCS(=O)(=O)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 810774361 XYQCXUMYXJWPGP-CQSZACIVSA-N 429.926 2.469 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 812182183 DMIPOVROJYYUTE-AEFFLSMTSA-N 426.521 2.371 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3CCS(C)(=O)=O)ccc2c1=O 816805920 MMSJCJPBVVXLPN-HNNXBMFYSA-N 435.571 2.301 30 10 IEEE Cc1cc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc(S(N)(=O)=O)c1C 924578880 DHSXSKZDHUQOLU-ZRKSEFCZSA-N 435.546 2.427 30 10 IEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3SC)n2N)cn1 1084416070 MQXMXFWLHJVYON-UHFFFAOYSA-N 443.562 2.273 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 1124731097 BXSJOKJYIHFCSD-KRWDZBQOSA-N 439.537 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1126394109 DJMQYQFPTLHXKZ-HKUYNNGSSA-N 444.532 2.370 30 10 IEEE CN=[S@](C)(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1128997336 SPEHTKDDFFBVJP-WTPASJBYSA-N 439.497 2.488 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@@H]([C@@H]2CCCO2)C1 1133978775 UAHKIQHTVGSAQX-AHRSYUTCSA-N 439.516 2.110 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(=O)OC)cc2C)s1 1136340836 GOUVDZUKJJZLSC-UHFFFAOYSA-N 438.527 2.254 30 10 IEEE N#CCOc1cc(F)ccc1NC(=O)CNS(=O)(=O)c1cccc(Br)c1 1137505175 DQUVLMLPSYAKRH-UHFFFAOYSA-N 442.266 2.408 30 10 IEEE CNS(=O)(=O)c1ccc(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)s1 1141403946 GIUFMDIXNJBDHL-AWEZNQCLSA-N 444.579 2.250 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CCCCN1CCO 1158994748 LGSHLTHUOWIBDF-PZJWPPBQSA-N 442.560 2.356 30 10 IEEE CN(CCCOc1ccccc1CNc1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCC1 1162664424 UXHATTMUQNLOIO-UHFFFAOYSA-N 425.533 2.211 30 10 IEEE C#C[C@@H]1CCCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1163597945 HFMPOTYHOWDNBU-ZWKOTPCHSA-N 440.569 2.416 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(CO)Cc2ccccc2OC)ccc1F 1169091788 CELBVXISSWMSDX-NRFANRHFSA-N 436.505 2.022 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(Cc3nn[nH]n3)CC2)cc1 1175846324 YEXQOXBDAKIFSI-UHFFFAOYSA-N 448.531 2.381 30 10 IEEE COc1cccc([C@@H](O)C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1 1196657893 OKSMDBQRFCLGAE-VWNXMTODSA-N 428.577 2.133 30 10 IEEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[C@H](C(F)(F)F)O1 1197484189 VVCYSZRMTXKJAI-BFYDXBDKSA-N 430.496 2.499 30 10 IEEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)nn1 1264178745 SQADIIUQXRNHEK-UHFFFAOYSA-N 432.550 2.347 30 10 IEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286340146 XOVFXDYDTDNZKC-GFCCVEGCSA-N 435.351 2.396 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCN(CC)CC1 1286363110 NQSCLVPJLKCLQN-MRXNPFEDSA-N 448.413 2.379 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286394450 OOKOHEPSYJJNDZ-IBGZPJMESA-N 446.621 2.479 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)c1ccco1 1286461181 VYVXMMVRNOTUFG-NRFANRHFSA-N 425.445 2.440 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOc2ccccc2)CC1 1286492230 FCBZFWNVPDUDGJ-HXUWFJFHSA-N 437.544 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)cc2)CC1 1286495409 ZZMQFZZBCRLJSX-SFHVURJKSA-N 427.936 2.450 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1286560694 HVMCQNPOFOLXSV-AZUAARDMSA-N 441.580 2.402 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1286667635 LDOSDLAVWXSGGZ-INIZCTEOSA-N 437.552 2.341 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1286784979 AJUMLIOINHJBKT-UHFFFAOYSA-N 433.516 2.334 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cscc2C)C1 1286800097 FVOVORNBYIQPBN-HOCLYGCPSA-N 425.580 2.088 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccncc1Cl 1288841621 RFVVXIJQHZMHEG-UGSOOPFHSA-N 437.957 2.115 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1 1296129857 CBAWHXSTJVXSEY-CTNGQTDRSA-N 429.613 2.328 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 1300018272 FIGUCZJMCCGWFL-OAHLLOKOSA-N 431.290 2.381 30 10 IEEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300367249 ZQPIPXDISNIPDC-UHFFFAOYSA-N 427.553 2.337 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCCC1 1300663562 FESOLKZOJJADKD-NHCUHLMSSA-N 436.560 2.152 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCCC2)CC1 1300685568 QIKJXHVGBHAIRJ-UHFFFAOYSA-N 446.397 2.277 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)C)CC1 1300769974 NALVWLBOOPVWJR-UHFFFAOYSA-N 432.619 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300891959 PEXLAXFEDYGKGI-ZVDOUQERSA-N 445.589 2.253 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301075507 HDXWBURCFQWLIV-UHFFFAOYSA-N 432.506 2.111 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1301258379 QZRVCDHHQLZFSH-LJQANCHMSA-N 427.505 2.085 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301505996 DXGQWCUJPLDZKF-DEOSSOPVSA-N 439.560 2.254 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)C1 1301566084 JYVZNCJHACJTKI-KRWDZBQOSA-N 446.939 2.309 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccco1 1301587874 YMMADQQLSKCKFZ-UHFFFAOYSA-N 440.529 2.347 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1 1302921643 NSNLSZZPHNRZAT-UHFFFAOYSA-N 437.974 2.197 30 10 IEEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCO[C@](C)(C#N)C2)C[C@@H](C)O1 1304193854 YPWVBUGZVQYGTJ-ZMPRRUGASA-N 441.557 2.477 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)c1 1304726850 CMWQHNQEHGLANI-BQIYRTECSA-N 435.567 2.431 30 10 IEEE COc1ccc(-c2noc(CN3CCN(S(=O)(=O)CC(C)(C)CC#N)CC3)n2)cc1 1309034371 CERAGPDHGIWOPM-UHFFFAOYSA-N 433.534 2.132 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC(F)F)c1 1309506748 GZBQHFSWCAPPCM-ZDUSSCGKSA-N 436.278 2.245 30 10 IEEE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cc1 1312625345 IYLRJVVFPBWKGQ-KNQAVFIVSA-N 433.512 2.246 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1316233046 GVLSTESCAGURCI-NZQKXSOJSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1316269520 JVQLUOWYEGZRNN-NOYKIMNZSA-N 433.553 2.326 30 10 IEEE CN1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 1319485238 DMXULJFUHLOQJN-GHTZIAJQSA-N 444.532 2.206 30 10 IEEE C=CCO[C@@H]1CCN(Cn2c(=S)oc3ccc(S(=O)(=O)N4CCOCC4)cc32)C1 1320888808 NGSZIKJEVUNKKS-OAHLLOKOSA-N 439.559 2.219 30 10 IEEE CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)ccn1 1328524342 LBXXSMWLAFHJOZ-WMZHIEFXSA-N 447.539 2.438 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358960179 YVMLNPPPPBGIDX-NHCUHLMSSA-N 441.601 2.446 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)cc1 1358977277 IVXFNZKJBIRZNG-KRWDZBQOSA-N 431.418 2.291 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1359022441 ZYXHIHIZCCLBJX-LJQANCHMSA-N 432.528 2.423 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1359037828 YQEUOJZEJFQBNB-UHFFFAOYSA-N 441.461 2.481 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359215133 VIQCNRZLBYHUHP-OAHLLOKOSA-N 430.582 2.326 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359228744 NARPLTTYMNYRGH-KRWDZBQOSA-N 429.525 2.069 30 10 IEEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359229195 BBGHTSSHHCOORV-XGHQBKJUSA-N 436.509 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359294932 JOGXFJRDKGKOEH-LJQANCHMSA-N 449.559 2.250 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(NC(C)C)CC1 1359305007 QNYKTAOHYVXQKX-UHFFFAOYSA-N 430.528 2.265 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCO1 1360370320 JAOASLSSZHRHDV-NZQKXSOJSA-N 441.532 2.252 30 10 IEEE COc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)NC(C)C 1452948292 RLYILDPHLPRKCK-GOSISDBHSA-N 431.514 2.059 30 10 IEEE CN(C)CC#CCNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1454642660 QUFMYNGYLPBXIG-UHFFFAOYSA-N 440.495 2.083 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1456789062 XSKUKVACFJCOEQ-HXUWFJFHSA-N 439.350 2.310 30 10 IEEE N#Cc1c(Br)cccc1OCC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 1460858499 ATJRRHLJSSIKAE-UHFFFAOYSA-N 442.316 2.266 30 10 IEEE O=C(NCC1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCC1)OCc1ccccc1 1464926638 QRUMLKZHRMVYLO-VXPUYCOJSA-N 440.500 2.116 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 1469506911 CYPIXIMLDMYIOQ-HNNXBMFYSA-N 442.887 2.418 30 10 IEEE C#CCN(C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)C1CCN(C)CC1 1470218707 JBPLSDMCDFWGHF-UHFFFAOYSA-N 425.577 2.348 30 10 IEEE CN(C)c1cc(F)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 1472618731 FZFOWNSRVYUHGB-UHFFFAOYSA-N 430.392 2.318 30 10 IEEE C#CCN(CC(=O)N=[S@@](C)(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 1473167800 KTIQVJFBFCCATQ-ODCWNRFASA-N 428.352 2.309 30 10 IEEE Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCCO)c2ccccc2c1=O 1503685816 HUKWYPNHHMVTTB-JOCHJYFZSA-N 439.495 2.187 30 10 IEEE COCCOCCn1c(C(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1505048546 QBICKSQRBXNWGS-UHFFFAOYSA-N 429.525 2.128 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)CCN1C1CC1 1505321743 DVJXKLDPEHMJHV-KRWDZBQOSA-N 430.503 2.486 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507571934 RODKRNJMNZNAAP-SXWKCWPCSA-N 431.581 2.107 30 10 IEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)NCC)CC1 1507583683 VOEAGYAWYHHHLA-UHFFFAOYSA-N 447.543 2.272 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507631801 GGXZLWUDLMBIEL-OALUTQOASA-N 446.548 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC(C)(C)N1CCOCC1 1507655169 ADRPVBXJJANBMK-UHFFFAOYSA-N 437.544 2.049 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CCC)C1 1508073999 NEHUUUSBJIDVFC-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](COc3ccccc3)C2)nnc1C(C)(C)C 1508149728 WRTRWWUCMYVMKO-LJQANCHMSA-N 448.589 2.461 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1508316873 CNPNLHGXIFLFIW-QZTJIDSGSA-N 430.459 2.346 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1513754461 FFNDMQZRCXHENN-UHFFFAOYSA-N 432.532 2.050 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2CCSCCCO)cc1 1521089668 IDEGBABXXQEGIP-IBGZPJMESA-N 438.561 2.365 30 10 IEEE COc1ccc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 1525819895 XUPBUSSTSZJUDS-PTGBLXJZSA-N 432.502 2.058 30 10 IEEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1C 1530306309 BDNGCLYBXCDHSY-UHFFFAOYSA-N 439.900 2.432 30 10 IEEE Cc1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1C#N 1537721317 CKUMGLFQOLWADU-UHFFFAOYSA-N 439.541 2.253 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539029019 GPWFLSHDCUWFGA-RTBURBONSA-N 445.589 2.356 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1539161511 GQJNAJQVEBVYIW-IBGZPJMESA-N 433.564 2.358 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1539459681 MVKWTNGUTCGOCS-IRLDBZIGSA-N 434.544 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1539469763 GKBZSWBLARDYIL-UHFFFAOYSA-N 429.484 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[S@@](=O)CC)CC1 1539476061 RMZSIYCGSRGPAJ-PMERELPUSA-N 447.992 2.333 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1539540493 RAXJLWRKPCZZNW-OAQYLSRUSA-N 443.573 2.103 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)c1ccco1 1540866349 KNRRDZPPNGPSLS-OAHLLOKOSA-N 433.476 2.013 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1540872803 AVTNCQBDJWSRAD-GDBMZVCRSA-N 447.465 2.453 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1543011972 UPQFCIJMKGYNSJ-VXPUYCOJSA-N 440.552 2.148 30 10 IEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1547582500 COPGNCNQFXGHAG-FQEVSTJZSA-N 436.564 2.103 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@](C)(O)c2cc(C)oc2C)CCOC1 1547891076 AKSGANKUUHYXLO-YPAWHYETSA-N 447.511 2.490 30 10 IEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C(C)C 1548372462 HHZGFLADVISZSB-QGZVFWFLSA-N 426.439 2.013 30 10 IEEE Cc1nc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)ccc2n1[C@@H](C)CO 1556604296 AUOJWYBUIOZDNJ-UONOGXRCSA-N 441.513 2.075 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](Nc4ncccn4)C3)C2)C1 1557184732 LGWHFMQKRPIMDF-QOQLHOOGSA-N 426.521 2.276 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cs1)C(N)=O 1558465397 DZTUUWCASZJOGI-GDBMZVCRSA-N 444.586 2.411 30 10 IEEE C=CC[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1567456645 BLXAWANUJBEHHC-HZPDHXFCSA-N 435.525 2.478 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O 1568889290 BGGBYXTUDGJEDY-UHFFFAOYSA-N 427.457 2.255 30 10 IEEE C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1583966800 ULBRHDPNCMZSMP-YLJYHZDGSA-N 432.565 2.312 30 10 IEEE CC(C)OC(=O)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1584952504 UUEVHVYUGSOHDE-MSOLQXFVSA-N 428.489 2.246 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1587969916 KJDDWWDKQUTUEK-FUHWJXTLSA-N 428.562 2.289 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1588314950 WBNPZCMYDFCCEJ-HNNXBMFYSA-N 440.529 2.021 30 10 IEEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1594783878 KXZDPHHTHLDKME-KRWDZBQOSA-N 439.568 2.457 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1594812651 IGTNPGGLRRGQJD-DLBZAZTESA-N 432.525 2.459 30 10 IEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1)C1CC1 1595058368 JRJWQJRMDYHDMT-NVXWUHKLSA-N 446.552 2.020 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1595405284 HIVOJCOCMQKKAH-IBGZPJMESA-N 426.546 2.247 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595500744 DMXVICRPBWVUFY-HXOBKFHXSA-N 425.533 2.194 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1595561991 KFQPIGDLKZVRJE-GOSISDBHSA-N 449.534 2.420 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595570002 UHYQZVXUIIXQSA-DVECYGJZSA-N 439.560 2.140 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2n[nH]c(C)n2)C1 1595701024 WDCIEJPMBAYMOY-QGZVFWFLSA-N 439.520 2.413 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1595753387 HURAVIJHHXPNQQ-BBWFWOEESA-N 445.486 2.174 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1598201934 CVXNMBMSOLOYPJ-GBXCKJPGSA-N 438.576 2.382 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1622261994 DEBYSZTYSSJLTN-UHFFFAOYSA-N 427.498 2.046 30 10 IEEE CN(CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)S(=O)(=O)c1ccc(Br)cc1 1623604337 FHFBKMZBJRKVGL-UHFFFAOYSA-N 448.302 2.456 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3=C(C)OCCS3(=O)=O)c2)c1 1624872690 FXBKVANZIRHHOD-UHFFFAOYSA-N 425.462 2.488 30 10 IEEE Cn1cc([C@@H]2CN(C(=O)c3ncc(C#N)cc3Cl)C[C@H]2NC(=O)OC(C)(C)C)cn1 1627158811 GEXHMVMAGQSTQJ-GOEBONIOSA-N 430.896 2.473 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 1628132377 DIIRJGKPUBDRJF-HOTGVXAUSA-N 441.937 2.445 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCC2CCN(CC#N)CC2)C1 1629083082 WDOBUZKZRCCMPS-NFBKMPQASA-N 428.533 2.154 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1cc(F)cc(F)c1 1632954138 ZRGIEBGAXIKHEQ-GOSISDBHSA-N 449.479 2.384 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1635801763 FYZZSTDDDLGVOM-UHFFFAOYSA-N 429.498 2.045 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1640219837 ZHOLUFIPZJJGOJ-IBGZPJMESA-N 428.514 2.091 30 10 IEEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1)C(=O)OC 1642411751 WVJPWYWXLJFYDI-IBGZPJMESA-N 430.482 2.181 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC(N3CCN(C)CC3)CC2)cc1OC 1642911886 AGLGQSAAMRGPKT-UHFFFAOYSA-N 446.592 2.463 30 10 IEEE CCNC(=O)NC1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCCC1 1644614400 CYDHQALMWKREGU-UHFFFAOYSA-N 435.532 2.229 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCc3c(sc(N)c3C#N)C2)C1 1648295827 OBSPYRYTMSOHQH-YEJXKQKISA-N 432.546 2.360 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1654742315 AFTYLPREPLHZII-APWZRJJASA-N 428.489 2.257 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccccc1 1662726697 JPJQBXQJPKVXPH-MRXNPFEDSA-N 432.445 2.180 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 1684781652 QFLQZBIOCZPGLW-UONOGXRCSA-N 446.451 2.343 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1686314946 BCGDXXWLILJEHT-HLIPFELVSA-N 435.565 2.332 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(=O)OC)CC1 1689856292 NKPJEBGHCOVTMX-QGZVFWFLSA-N 435.532 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2OCCC2(C)C)CC1 1690148813 VWIBVKFYBKNORK-HXUWFJFHSA-N 436.560 2.045 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690238196 GKSCKJZBJDKCIN-PXCRPINLSA-N 447.580 2.184 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1690258457 GUQFNRFWVGVVRJ-UHFFFAOYSA-N 434.562 2.293 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1690607703 RTAXXRJSJYBHDM-IBGZPJMESA-N 443.548 2.249 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1690670496 CSJKNQBFHVYTTG-MRXNPFEDSA-N 429.546 2.245 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690674760 DOOXLOMXRXNALO-YZGWKJHDSA-N 425.533 2.063 30 10 IEEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1691530285 OQWFNROOCDGJIA-WOJBJXKFSA-N 438.532 2.351 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)C1 1692845215 CNFPBCOWEORNNM-FQEVSTJZSA-N 428.562 2.361 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 1698492084 ZKZOXGSEZDEZHP-MRXNPFEDSA-N 434.953 2.407 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCCN2CCOCC2)c1 1705507507 DMUGORTYXKHHKJ-UHFFFAOYSA-N 436.560 2.009 30 10 IEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1705571705 GMBUZIGBUXFMNZ-KRWDZBQOSA-N 446.598 2.030 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCCCC1 1705578448 SOHZPPCMWKCXIH-UHFFFAOYSA-N 435.528 2.438 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1705633304 OAXYIOIAKQSODR-NRFANRHFSA-N 436.560 2.323 30 10 IEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(C)(C)COC)CC1 1705638518 NEHXGIGGFXPQEA-UHFFFAOYSA-N 442.564 2.214 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705639489 PFHUOZOCMRBMED-RBUKOAKNSA-N 446.596 2.087 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CC1 1705676785 ONVBWLUZEYDRJC-OAQYLSRUSA-N 428.558 2.469 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705678044 MASAYVRODUARDJ-LVCYWYKZSA-N 435.594 2.011 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705734670 XJYCNBTZYWHTPM-UHFFFAOYSA-N 436.520 2.058 30 10 IEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1705813109 VUUJPUHYMFYKRG-UHFFFAOYSA-N 437.342 2.473 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1705884538 QWVMSHYDICBELM-GOSISDBHSA-N 441.536 2.010 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705889546 FSPHEQBDKZUTHS-HNNXBMFYSA-N 437.504 2.138 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)CC)C1 1705920824 FUJWFPZSXLFLPB-ZQHDKMAOSA-N 432.546 2.266 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706529572 MAKCLQPDFKROIB-XOMICKMZSA-N 439.520 2.051 30 10 IEEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 1710992035 BWOFISDGIOCGBX-HKUYNNGSSA-N 435.557 2.493 30 10 IEEE CN(c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1711042156 IJEOLBGRTCGRDT-MJWGMMHASA-N 444.586 2.399 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CN(C(=O)OC(C)(C)C)C1 1722305399 HBVJHAXDHZBXIS-NJAFHUGGSA-N 433.553 2.327 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722316550 FBIZGEIPYACBRU-UHFFFAOYSA-N 443.559 2.308 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722325653 BQTANWCPCRAXHJ-INIZCTEOSA-N 432.410 2.102 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1722343002 BHBQLJOCJGLLJZ-QHCPKHFHSA-N 443.523 2.024 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1722350208 QCGSOMUWFUKYGH-PMERELPUSA-N 426.546 2.074 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1722437174 RDRMYFDHRHNPIM-IBGZPJMESA-N 446.596 2.184 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1722474987 RIOOLAZAQPEQMU-HVETUWLQSA-N 446.548 2.219 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC 1722660449 VZVWXVWCFRNVKL-UHFFFAOYSA-N 432.525 2.445 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722681592 NLBSMCJZLPKIOS-XMTFNYHQSA-N 426.583 2.023 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2Cc2ccccc2)nnc1[C@]1(OCC)CCOC1 1722704918 ZPJYSIGCIJEUFS-YKSBVNFPSA-N 439.560 2.444 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncccc2N(C)C)C1 1722709375 OSFJBBYOSJKJJL-KRWDZBQOSA-N 448.531 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](COC)OC)C1 1722714901 POYSAPWODIHQAG-HZPDHXFCSA-N 440.504 2.037 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCS1 1724030135 HDPLZGIOGTXVDQ-GOSISDBHSA-N 429.546 2.476 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740584902 SNLHLDVRJODSMC-KRWDZBQOSA-N 443.983 2.444 30 10 IEEE C#CCCCn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1740597594 VZXYMBHNSKXHSW-VGOFRKELSA-N 444.536 2.428 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC)N2CCCC2)CC1 1740698403 UZTBEIFVDVNOAO-FQEVSTJZSA-N 427.622 2.263 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1 1740751019 XCTMONMXXUFPNI-NHCUHLMSSA-N 439.560 2.494 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740768573 MKQOOILNUBYJIB-FXAWDEMLSA-N 426.583 2.157 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1740837335 ZVALAJLWBSRWPF-SFHVURJKSA-N 431.459 2.011 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1740923531 OGNNFIXHCGDJLL-KRWDZBQOSA-N 437.591 2.275 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1740949404 GKXIRCLVWPMNGG-HNNXBMFYSA-N 427.571 2.407 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1747420081 VWPJJPPHNWUMQZ-LPHOPBHVSA-N 447.561 2.025 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747580947 AIDNDAUSAALJLM-UHFFFAOYSA-N 432.532 2.463 30 10 IEEE CO[C@@]1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1748497557 QGVONYMIJRGZMS-IFXJQAMLSA-N 448.321 2.242 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1748690539 UOIBWKNKVXUSPB-OCHXJIAHSA-N 433.553 2.047 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748807917 DEVJDDYLMGWOKZ-QZTJIDSGSA-N 432.546 2.005 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1748959367 QSFNFEBRVPUSOF-IBGZPJMESA-N 430.512 2.479 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1748989961 FALXQFUWQAOQSV-CQSZACIVSA-N 440.495 2.451 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749042853 AJHCRPYXZZLKTC-GOSISDBHSA-N 427.578 2.113 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749087343 SOLBJYAQTOSYDI-GOEBONIOSA-N 444.374 2.215 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(S(=O)(=O)CC)CC1 1749139559 GSVWPMCDCCMOET-VQIMIIECSA-N 426.583 2.199 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749175266 BGORILDUUJVUQF-GDBMZVCRSA-N 427.505 2.262 30 10 IEEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1749349353 RBVWALNAMNCKLT-YLJYHZDGSA-N 444.511 2.128 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1749566000 UUTHLXHHZREJBF-JOCHJYFZSA-N 439.541 2.221 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749730997 YMIPJZRZXKSWGH-MRXNPFEDSA-N 440.520 2.151 30 10 IEEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1750381806 GEKRQVHKOIHQHF-SFHVURJKSA-N 443.573 2.383 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760191640 LDBBFXLCJGQFMZ-QUCCMNQESA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1760202584 HVZWCNFQMXUSBE-PMACEKPBSA-N 439.585 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760219082 UKMJLPFVASHRNG-GOTSBHOMSA-N 433.556 2.318 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1760229847 IBKMAIQRIWAZFV-QHCPKHFHSA-N 446.515 2.498 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1760372357 GODDONFCZMUTQY-UHFFFAOYSA-N 449.968 2.154 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCN(CC)CC2)CC1 1760383566 UGMMHURZZPZKPB-QHCPKHFHSA-N 432.613 2.114 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNS(C)(=O)=O)CC1 1760388603 SZIUSSBAHXURAO-UHFFFAOYSA-N 441.561 2.227 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760520640 VJTHZJRVOYVYSD-KRWDZBQOSA-N 442.539 2.375 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1760523110 MNDFEEFIMBVPJA-KRWDZBQOSA-N 435.532 2.231 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C)C1 1760558105 GLZKUUWWMXMBON-QGZVFWFLSA-N 434.562 2.245 30 10 IEEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1761149740 CUQDRHYLSJVWLP-GOSISDBHSA-N 440.548 2.458 30 10 IEEE CCc1ccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1762596684 UAWQFYWCMUAHOZ-LSDHQDQOSA-N 436.516 2.261 30 10 IEEE CCOCc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767853969 IUYGCYPFPGKRHZ-FMQUCBEESA-N 446.552 2.125 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1768633202 DMPDSQZEOSOXEH-GOSISDBHSA-N 439.545 2.205 30 10 IEEE COC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1769247684 FNIRUNYYUILBJX-FPOVZHCZSA-N 440.548 2.379 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)SC 1770040170 AUFJOYGYWMFLDE-IRXDYDNUSA-N 445.593 2.347 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1770088547 MLDLXMGKYYYRFL-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1snc(N2CCOCC2)c1C#N 1851431433 CLSYOIZZBZMIEV-CYBMUJFWSA-N 429.477 2.006 30 10 IEEE COc1cccc(-c2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)n(C)n2)c1 1852067512 YQOOONBICMDWKY-UHFFFAOYSA-N 446.511 2.341 30 10 IEEE COc1ccc2c(c1)[C@@H](CC(=O)OCCN1CCN(c3ncccc3C#N)CC1)CC2=O 1852535257 UVEIQMPPXXEOHL-GOSISDBHSA-N 434.496 2.387 30 10 IEEE C=C1CCCN([C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(OC)cc3)C2=O)CC1 1854725101 VLSGAOYKWKESTK-HXUWFJFHSA-N 434.558 2.419 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](c4ccc(F)cc4)C3)ccc21 1855960249 VSEXNYRIVWRZFT-HNNXBMFYSA-N 427.457 2.333 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(CC(C)C)c(C(=O)O)cc3=O)cc21 1857885488 TZOZLGQQMCBLBF-UHFFFAOYSA-N 440.452 2.376 30 10 IEEE CCOC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858421849 GHRGCKUOHMRVFM-INIZCTEOSA-N 427.482 2.384 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(O)CC2)=C(N)Oc2c1c(C)nn2CC 1865225483 WUFUYSJEIGHRIE-HXUWFJFHSA-N 438.528 2.454 30 10 IEEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccnc1 1874207328 ICAHZLUZEDVFLY-UFFVCSGVSA-N 431.319 2.486 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(OC)c1O 1874471446 VJZGOFVRCZNNRP-SSDVNMTOSA-N 445.501 2.065 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)ON3C(=O)c4ccccc4C3=O)CC2)C1 1888377259 QUPFGSJIBRTYMB-UHFFFAOYSA-N 429.473 2.072 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC4CCCC4)nc3)CC2)CC1 1889365739 SKGWDSDVTXXYAI-UHFFFAOYSA-N 440.588 2.275 30 10 IEEE N#Cc1nccnc1OCC1CCN(C(=O)Cc2csc(NC(=O)C3CC3)n2)CC1 1891512355 ALOYPFXLWPJMRG-UHFFFAOYSA-N 426.502 2.013 30 10 IEEE C[C@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)n1nc(-c2cccs2)ccc1=O 1891843212 MKOGQDBCZNWWJA-HUUCEWRRSA-N 436.497 2.264 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)CCN1Cc1ccccc1 1914763470 KSIZKRPTHAOSRO-XPWALMASSA-N 432.524 2.341 30 10 IEEE Cc1nc(I)c(I)n1CCOCCC#N 1928097950 KAPWKLMHAFLVOH-UHFFFAOYSA-N 431.015 2.331 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](COCc2ccccc2)(C(=O)O)C1 2009850289 ACNOYJRRURHFGC-WZONZLPQSA-N 430.501 2.423 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2063353172 KRUABJPPUQHBEC-MOPGFXCFSA-N 432.370 2.446 30 10 IEEE C#CCN(C)C1CN(C(=O)c2cc(I)ccc2Br)C1 2134628841 KPUPPXKEBRBPPG-UHFFFAOYSA-N 433.087 2.443 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](CS)C(=O)O 2229105095 SYKBGAOBLZZFPS-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE Cn1nc(Br)c(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)n1 2235275995 NWKNYYAXQCGBRB-UHFFFAOYSA-N 425.067 2.268 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 2243214734 IREDVIJJZLZROM-UHFFFAOYSA-N 427.542 2.193 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2244003121 NKKSEFFJPBKZDP-CVEARBPZSA-N 427.542 2.027 30 10 IEEE C=CC1(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247907903 KOCKMYLFMOBWIH-UHFFFAOYSA-N 435.355 2.348 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(O)(CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)C2 2255859938 WPXHSJWPNWETSN-HOTGVXAUSA-N 434.342 2.030 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256596967 BWQWHIKUELUNTQ-HNNXBMFYSA-N 449.382 2.365 30 10 IEEE COC[C@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2256669491 QBTJFUPIDBXZJJ-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2260111887 IYNOEHMGXMQCCU-CHWSQXEVSA-N 446.300 2.202 30 10 IEEE CC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)CC1 2267161773 GTNRDNMYHMIWQW-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE CC[C@]1(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2267180673 HONPVDHUDIGBRW-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE CCCC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267273996 UITQNHHWILLIHH-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267496314 XMBUNXUKRNBSGV-AWEZNQCLSA-N 448.373 2.047 30 10 IEEE Cc1c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267500177 FAXRXVRFUHHVOY-XMMPIXPASA-N 438.381 2.422 30 10 IEEE Cn1ncc([C@H](C#Cc2cccc(Br)c2)NN)c1I 2278735403 OPEBXDRWDYKAJX-LBPRGKRZSA-N 431.075 2.343 30 10 IEEE O=C(O)c1ccccc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCCO 2328533268 JCGHERFZQVABNJ-UHFFFAOYSA-N 427.442 2.442 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1O 2330770049 BJXMRRWTXMHHFY-UHFFFAOYSA-N 430.534 2.043 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)n1 2337020342 OLBIOZSGCIFIJE-FUHWJXTLSA-N 447.385 2.401 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)CC1 2357446816 HJSQYRZKNMSMLP-XUVXKRRUSA-N 426.542 2.312 30 10 IEEE CC(=O)Nc1cccc(C(=O)/N=C(/NCCN2CCOCC2)Nc2cccc(F)c2)c1 46134790 PARJLYJHEXSSSY-UHFFFAOYSA-N 427.480 2.314 30 10 IEEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@@H]1c1cccs1 72472565 NUDKDWQFWVBOPQ-LRDDRELGSA-N 435.465 2.200 30 10 IEEE CCOc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc(Cl)c1OCC 169883600 XXRBNXHMPSNVKC-OCKHKDLRSA-N 426.882 2.277 30 10 IEEE CCn1nccc1CN(CCO)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 431941370 WSEZGMIOMDFZOC-UHFFFAOYSA-N 443.558 2.945 30 10 IEEE CCOc1ccnc(N2CCCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 462083484 KXDWLTWXTXZALO-UHFFFAOYSA-N 433.476 2.072 30 10 IEEE Cn1ccnc(N2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c1=O 465065271 MSQJQDBNDRWGSH-UHFFFAOYSA-N 435.513 2.053 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 471153240 YWNOQHPQXQLPTH-XMMPIXPASA-N 445.567 2.290 30 10 IEEE Cc1nn(C)c(N2CCN([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)c1C#N 472098122 QAKTWWDYIFLNLL-KRWDZBQOSA-N 446.433 2.073 30 10 IEEE COc1cnccc1N1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 481473242 DXOXDOWEYQNTCC-UHFFFAOYSA-N 426.420 2.492 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(CC)s2)CC1 508497281 KKSQPMMCAXZXQR-MRXNPFEDSA-N 435.619 2.312 30 10 IEEE CCc1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cnc2c1c(=O)n(C)c(=O)n2C 513778574 PQUKITYITQHBLU-OAHLLOKOSA-N 445.401 2.208 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc3nnc(CC)s3)cc2C1=O 515318948 OBJVVJFXLOFYPG-NEPJUHHUSA-N 441.513 2.276 30 10 IEEE C=CCN(C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1)[C@H]1CCS(=O)(=O)C1 539460915 KJVSGYHSCVQUKC-HNNXBMFYSA-N 432.502 2.256 30 10 IEEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 553979089 SBKNTVICLTWNNQ-MRXNPFEDSA-N 438.525 2.064 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(C)c(C)c3)n(C)c2=O)cc1[N+](=O)[O-] 579280008 GFLQCLMLQGSVHG-UHFFFAOYSA-N 449.488 2.366 30 10 IEEE COc1cccc(-c2ccc(=O)n([C@@H]3COC[C@@H]3Nc3nc4c(cc3C#N)COCC4)n2)c1 585628726 CDBONDBMQAVJQM-FCHUYYIVSA-N 445.479 2.310 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 685542920 OIFMRMQNSKCWRZ-LJQANCHMSA-N 441.561 2.456 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C1CC1 728558080 ZOZOYURPZBKFFX-UHFFFAOYSA-N 434.496 2.442 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cc2)C1 742393817 DRRLJLKHPOEQRE-HNNXBMFYSA-N 448.570 2.238 30 10 IEEE Cc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(OC(F)F)cc1C 743728575 MFERSUKPIICBKP-MRXNPFEDSA-N 431.464 2.334 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 744947812 GTGTWZPFRLXDDX-ILZDJORESA-N 427.501 2.260 30 10 IEEE C=CCN(CC(=O)OCC)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 755257296 MEJPUGJPPFLQCQ-ZDUSSCGKSA-N 432.336 2.437 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 757298131 VVNKBENLOXUKGQ-QMTHXVAHSA-N 449.476 2.330 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CCCCC1 760405594 IGQVXNZBZNKHEK-ZDUSSCGKSA-N 425.457 2.238 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2cc(C#N)ccn2)C1=O 766958616 WWMWPKSKHRMQGM-GOSISDBHSA-N 428.246 2.121 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 774030817 SUIAKVJUQNIBOW-NRFANRHFSA-N 439.537 2.313 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 777761912 QZTFJHCOTSWPJG-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE N#CC1(NC(=O)COC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCCCC1 782405857 TUEARPYXMILOHM-UHFFFAOYSA-N 436.262 2.279 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)c2nccc3c(S(N)(=O)=O)cccc23)CC1 783580728 KATICPKLKFUGJC-UHFFFAOYSA-N 435.509 2.153 30 10 IEEE COC(=O)c1cc(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c(C)cc1F 793408104 JJXHVLSTHIHKDU-UHFFFAOYSA-N 429.433 2.482 30 10 IEEE Cc1nnsc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 813561342 HWANVLATNORYNA-OAHLLOKOSA-N 432.575 2.046 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2(COC)CCOCC2)C1=O 813563916 QISOAWLYAOJVSJ-QGZVFWFLSA-N 430.530 2.069 30 10 IEEE CC(C)CN(C(=O)CON=Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 852273192 TUFIKDFSVKZHAY-HNNXBMFYSA-N 431.352 2.471 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 917095928 VEVFDVGJMZNVQD-FQEVSTJZSA-N 443.525 2.246 30 10 IEEE COc1cc(C=NNc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)cc(OC)c1 1084451631 ORXACSZABBHTDD-UHFFFAOYSA-N 435.488 2.337 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1C[C@H]1CCCO1 1115869827 NRZDTUWAGVZJEI-OAHLLOKOSA-N 431.583 2.397 30 10 IEEE O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 1131876718 TUDGLGVZTKNZJV-SECBINFHSA-N 429.292 2.354 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2=O)cc1OC 1132852905 HDDJRYBLEMKHNG-LEWJYISDSA-N 433.508 2.250 30 10 IEEE CN(C)CCOc1ccc(CCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1153866277 MXOQGTDOVLNNGW-ICSRJNTNSA-N 430.549 2.435 30 10 IEEE C#CCOc1ccc(NC(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1200413975 LROMPUZWQCWNDL-UHFFFAOYSA-N 426.477 2.404 30 10 IEEE CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCC(=O)NC(C)C)[n+]2cc(O)ccc2C)N=C1C 1251543354 NJAQSCXCZKMFBU-UHFFFAOYSA-O 445.565 2.308 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccccc2O[C@@H]2CCOC2)c1 1264809823 WXYKVLQOQNOZRF-HSZRJFAPSA-N 448.519 2.270 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1268927551 PMOFMEHDOQTPIA-HZPDHXFCSA-N 448.527 2.322 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)(F)F 1286280213 VABSIQMPQXLBGN-GFCCVEGCSA-N 425.411 2.099 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286340189 VKKPMGFSWIYHFL-UHFFFAOYSA-N 439.488 2.042 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286357091 YCHADUHGVGFWFZ-IIBYNOLFSA-N 429.546 2.067 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[S@@](=O)CC)CC1 1286475158 XVPHGYLGNVAHDG-LJAQVGFWSA-N 435.981 2.131 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286506497 WANTVXZFXFCOTN-AWEZNQCLSA-N 440.541 2.137 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)CC 1286528511 DJHXWCLHSSLOSM-OAQYLSRUSA-N 432.546 2.293 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286582577 ZWMVYBYGBNVBNT-GOSISDBHSA-N 433.578 2.483 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1286594053 ZBNDGRPPCHFCTK-SFHVURJKSA-N 447.561 2.114 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286597671 ZVUJHQXZUTWJSC-QGZVFWFLSA-N 428.468 2.045 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(CC)C1 1286822944 PQTBBYHDFVCJTA-IBGZPJMESA-N 439.607 2.240 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC1 1287052626 BMKGVIKYRBTOSR-ROUUACIJSA-N 445.568 2.175 30 10 IEEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)CC1 1288983213 MWULLDHSKGJRAI-QGZVFWFLSA-N 439.520 2.251 30 10 IEEE CCN(CC)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1289204376 JQPUCYZVQBSEAN-LNLFQRSKSA-N 443.491 2.485 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1291325033 DHFLAGIBASAQJY-QMHKHESXSA-N 442.539 2.453 30 10 IEEE CCc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1292541109 HZOOEGNERAIMED-QRWLVFNGSA-N 434.541 2.135 30 10 IEEE COC(=O)[C@@H](C)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1292643870 TYKCLFBRNUFFPT-HNNXBMFYSA-N 435.546 2.086 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1295312660 GJHYLRWWUTXHNR-IBGZPJMESA-N 426.521 2.331 30 10 IEEE CCN1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1296154209 KWYQTYPAVDVQNA-XGIGFIBQSA-N 435.532 2.002 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 1298839700 RPWAOAGBNPIVSN-FUHWJXTLSA-N 443.610 2.202 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](O)[C@H]1CCc1ccccc1 1299955799 QJYFDZLZMWTHAW-WTOYTKOKSA-N 441.553 2.210 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCc2ccccc21 1300509642 QYLRGNQYPIFPFC-HKUYNNGSSA-N 425.558 2.081 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC)cc1 1300666307 WRQSAMXYLMIMED-HXUWFJFHSA-N 425.533 2.404 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)[C@H](C)CC)CC1 1300685082 FVVKEIMFETXZRQ-QTEQDKRBSA-N 433.597 2.135 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1300688657 HVERTTZBTDDWHF-OALUTQOASA-N 439.560 2.390 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1300984547 DTQOQXBCXKLUAD-GOSISDBHSA-N 448.531 2.128 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1301290171 ZRPMORMYSZARGS-UHFFFAOYSA-N 433.520 2.209 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1301348798 HXNSVZLWJHQSBB-IPMKNSEASA-N 449.552 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1301578550 DIRUXZVDSPWDKH-MSOLQXFVSA-N 446.577 2.120 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1301969532 YMRQGCFUKPKHML-IKGGRYGDSA-N 444.502 2.421 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1305535258 ZRKKJRKMTKYOFW-AZUAARDMSA-N 446.596 2.180 30 10 IEEE CCCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1313491559 CDRTZYPCEMZXRZ-FQEVSTJZSA-N 431.500 2.316 30 10 IEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1313855727 TXUODFZDHXFZCA-UHFFFAOYSA-N 436.520 2.312 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@@H]1C 1313859380 GPABYGQVHJRRPY-IRXDYDNUSA-N 430.578 2.170 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)CC1 1313954006 MKKKXAXLOFQPNT-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C(C)(C)C 1314739783 FQDKAFNDPAZXRZ-UHFFFAOYSA-N 437.548 2.184 30 10 IEEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCC(C)(C#N)CC2)n1 1314935285 JMFWRFDAQCPDMO-UHFFFAOYSA-N 442.325 2.409 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 1350294426 FXKYMJZHKPODEK-MRXNPFEDSA-N 436.559 2.470 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC(C)C 1358880296 JFOZGLHYPMNQQL-AWEZNQCLSA-N 439.969 2.393 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1358903998 QMSHIMSIMFZMDE-UHFFFAOYSA-N 444.609 2.350 30 10 IEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1358917759 ZYEZSPGAWVOZJP-SFHVURJKSA-N 438.532 2.225 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1358959951 STNAWFFFIBBEBA-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(COCC)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358967929 VRSGDCZYSCCGAI-IBGZPJMESA-N 434.537 2.213 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1359055857 QZAMBMUQOVDWHD-ICSRJNTNSA-N 444.649 2.339 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359310044 KXRMDVCHSIHPIW-NEWSRXKRSA-N 446.573 2.000 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1359472211 HTKZMNNOKDIREK-CQSZACIVSA-N 436.520 2.352 30 10 IEEE CC(C)(C)c1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359509820 HAPKXKVTNRSABB-NHKNDPDJSA-N 442.564 2.497 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1359631205 TWMQHYWLJMCOFO-QFIPXVFZSA-N 442.495 2.321 30 10 IEEE CN(CCc1ccc2c(c1)OCO2)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1439292746 GCTHGYOYTWTNEX-GOSISDBHSA-N 434.452 2.193 30 10 IEEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1456495010 DFUCNHGXBKZFLP-UHFFFAOYSA-N 447.536 2.000 30 10 IEEE N#C[C@]1(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCc2ccccc2C1 1466978006 BJTJSQFIVUJZIA-REWPJTCUSA-N 439.537 2.325 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CCCC4=O)CC3)CC2)cc1 1470549825 FIKRXOCATWNWQO-UHFFFAOYSA-N 429.542 2.321 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1471431124 FAPZESOESKLWTJ-HNNXBMFYSA-N 443.953 2.255 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1494236306 OIGYNGJIUBCMLZ-APWZRJJASA-N 446.502 2.398 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)SC)CCN2C1=O 1502213629 IEKJBUAYNHVOJH-PBHICJAKSA-N 439.545 2.041 30 10 IEEE CS[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1505161292 HKQIOITVJSKMMD-HNNXBMFYSA-N 437.577 2.332 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1507556901 LUCDKGLVIQTWSK-LJQANCHMSA-N 444.605 2.327 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1507680060 WQAKHYLMIJSOTN-HUUCEWRRSA-N 439.969 2.469 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)C1(OC)CCOCC1 1507693680 FNJADOXGBIPXPL-UHFFFAOYSA-N 436.507 2.430 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)c2c(C)noc2C)CC1 1507720291 UAZHWDYBWXNGHA-VQIMIIECSA-N 430.553 2.166 30 10 IEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC=C(C)C)CC1 1507723275 BTHFAYKSJBMZNT-UHFFFAOYSA-N 441.605 2.350 30 10 IEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)CC)CC1 1507723559 MTDWFRBFIXZZIT-UHFFFAOYSA-N 443.621 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1507736850 TZSGNGUORGBZMQ-FPOVZHCZSA-N 436.560 2.231 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccs2)C1 1508120035 XVFVTFVGPDWIKE-OAHLLOKOSA-N 425.518 2.008 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCN(C)C 1508411577 KQXREJWMWFHUQC-AWEZNQCLSA-N 438.374 2.220 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(F)(F)F 1517785437 ALLXGBAZHRCEBN-GVDBMIGSSA-N 448.449 2.499 30 10 IEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1CCOC1 1519162001 BTSURIGXSWDYOT-MRXNPFEDSA-N 437.504 2.387 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccncc1 1519280721 FNVIKFWGIDVBCF-INIZCTEOSA-N 449.515 2.175 30 10 IEEE CC(=O)NCc1cccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 1525781139 MFOYHZLVUUYTSK-HIXSDJFHSA-N 428.514 2.388 30 10 IEEE N#CC1(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCSCC1 1535581689 SSENIGYSCYWUIQ-UHFFFAOYSA-N 435.347 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)COCCO1 1538983606 URSVJFQDWHTIOY-IVZQSRNASA-N 430.505 2.234 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1539216961 YHPPZJLOCBBGHR-LXPRWKDFSA-N 431.562 2.105 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCN2CC)CC1 1539462868 NGCDSCGZHPGLMR-PWRODBHTSA-N 428.625 2.436 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)c1nn(-c2ccccc2)cc1Br 1544336894 JITSWOZLXKMAGC-UHFFFAOYSA-N 432.322 2.323 30 10 IEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](F)C1)S(C)(=O)=O 1547574716 XWMMPPITCQXFSD-QAPCUYQASA-N 434.541 2.283 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1555499815 FWBMFBIWXUWFQI-UHFFFAOYSA-N 426.521 2.212 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1555637122 PENWJFPZSCZQTG-YWZLYKJASA-N 440.520 2.311 30 10 IEEE CSCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1555919557 QDUHMUUDJPTHIM-HNNXBMFYSA-N 439.545 2.064 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN[C@H](CO)c1ccccc1I 1560211768 SHAOOYJIUGJLCR-RHSMWYFYSA-N 438.265 2.226 30 10 IEEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC 1562081183 MROVCRLODYWBBB-KRWDZBQOSA-N 436.578 2.213 30 10 IEEE C#CCN(C(=O)NC[C@H](C)CN1CCN(CC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1564037086 GVPQQDPSXYURJY-FQEVSTJZSA-N 449.640 2.304 30 10 IEEE Cc1nc([C@H]2COCCN2C(=O)C2CN(c3ccc(Br)cc3C#N)C2)no1 1567511072 UESJZRBHKIOYNN-MRXNPFEDSA-N 432.278 2.049 30 10 IEEE C#C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 1569673198 DKGZBQOBIVCMAH-INIZCTEOSA-N 446.326 2.368 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1conc1COC 1587621270 QISZTRDHTHICMC-OAHLLOKOSA-N 447.499 2.316 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCn1c(O)nc2ccccc21 1588238409 UKFFORXXAAVCLD-UHFFFAOYSA-N 425.496 2.482 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)c(F)c2)CC1 1588752977 YDTGWZHKMZNUBQ-JOCHJYFZSA-N 431.487 2.012 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2cccnc2)CC1 1588763382 WYIGIMNTQHSRGF-UHFFFAOYSA-N 432.528 2.355 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1593763464 LGJXNHBJHMSBCU-GOSISDBHSA-N 427.553 2.111 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1594752700 OTJVFUACBNXXQS-UHFFFAOYSA-N 443.640 2.362 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1COCCO1 1595134285 YEGGTHDROARZCJ-SFHVURJKSA-N 429.496 2.148 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CCCO1 1595292626 YTMJKJMSEMZZEL-QHCPKHFHSA-N 438.532 2.400 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595569653 MHQWHHPNGAZAGR-UHFFFAOYSA-N 449.621 2.251 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccn(Cc2ccccc2)n1 1596783315 OYKYPBSZVDMECP-GOSISDBHSA-N 432.532 2.403 30 10 IEEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1 1597713740 ABFONRDPYCFHOF-UHFFFAOYSA-N 429.433 2.082 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@]1(C)CN(C)C1=O 1619899991 OGYAHISDPLUKDZ-XMMPIXPASA-N 445.527 2.343 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCC(=O)NCc2ccccc2)CCO1 1620355646 LWLWOBJOEOCASI-LJQANCHMSA-N 436.541 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](OCCN4CCCC4)C3)C2)C1 1622395619 FOWIHSSZFWOVGA-NCMKUFGYSA-N 446.592 2.487 30 10 IEEE C#CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1626480948 VYVBSPPMSKZUSX-QZTJIDSGSA-N 432.565 2.430 30 10 IEEE N#C[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1ccc(OCc2ccccc2)cc1 1626764073 RNRQTWAOFCTPTD-HXUWFJFHSA-N 428.452 2.233 30 10 IEEE C=CCn1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)nn1 1626977593 ZQYMSXGOPOONKD-FQEVSTJZSA-N 427.530 2.237 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 1628399326 RJIAGEWJZCIOSA-KRWDZBQOSA-N 435.864 2.312 30 10 IEEE C=C(C)[C@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)OCC 1632912997 WOEBYGFAISJPPD-BDXSIMOUSA-N 437.537 2.399 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)s1 1633483102 AOFRAFFYXLUZLP-IBGZPJMESA-N 428.576 2.478 30 10 IEEE Cn1nccc1[C@@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639547508 KXUCCMLWACSCTK-SFHVURJKSA-N 430.306 2.091 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cn(C)nc2I)C1 1640221722 KIWXAWCLNZZCJX-CQSZACIVSA-N 435.269 2.247 30 10 IEEE CCOC(=O)CON=C(C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc[nH]n1 1640987199 SEDIMNXHMVZFDX-HOTGVXAUSA-N 426.473 2.295 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@H](c2ccc(Cl)cc2)C1 1647959175 UFFAIMRVYVLTMS-SFHVURJKSA-N 446.960 2.332 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2ccc(C#N)cc2=O)cc1 1652103924 AILWJVOJHNSTAA-UHFFFAOYSA-N 436.493 2.179 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1nnc2n1CCCCC2 1654069945 HUSJCBYNNXKJRS-IAGOWNOFSA-N 427.578 2.126 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(CC(=O)NCCOc4ccc(F)cc4)CC3)n[nH]2)cc1 1659329503 QNKMEVMIQNCYGV-UHFFFAOYSA-N 448.502 2.405 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)cc1 1674853576 GPPSMKQQHIAVNQ-UHFFFAOYSA-N 435.527 2.437 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1689993572 HDDXVWUBJKEBJA-LJQANCHMSA-N 430.574 2.499 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690180910 MUOXBMAQDDEKSL-LJQANCHMSA-N 432.615 2.443 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690317250 WKIYLCHTPSANSK-HXUWFJFHSA-N 444.580 2.370 30 10 IEEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 1690408265 BRVVXNDWCCMZLT-UHFFFAOYSA-N 448.618 2.121 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690500585 ZQDZPOUACJKPEY-OAQYLSRUSA-N 442.476 2.477 30 10 IEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1690512160 OKFNKAYOOJRWKW-LJQANCHMSA-N 438.576 2.405 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2n[nH]c(C)n2)C1 1690691592 HHFJZEGIEMBIMC-QGZVFWFLSA-N 439.520 2.413 30 10 IEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)C1 1695975523 HXGLPRPVXBFKHK-MOPGFXCFSA-N 442.520 2.193 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1696476427 GRAWYHJUVHKFMH-OAHLLOKOSA-N 443.451 2.019 30 10 IEEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697777474 CJYJNAPDAXCMFZ-SFHVURJKSA-N 436.495 2.308 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705569720 JQXKFTXDJXMOPK-RXVVDRJESA-N 441.601 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705583644 FTSLYYXCMJZRHV-GOSISDBHSA-N 430.961 2.420 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(N(C)C)CCOCC2)CC1 1705635765 KGCOFFZPWWKDDT-UHFFFAOYSA-N 442.995 2.465 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1 1705761845 CLZLCIMOVATIQE-RDJZCZTQSA-N 435.912 2.310 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1705819130 DRVFKCPFSCQUDQ-MRXNPFEDSA-N 437.591 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705903676 PUVNCKRLRYMMOF-QGZVFWFLSA-N 436.520 2.044 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705931650 WPXWRIZECARLQI-ROUUACIJSA-N 442.589 2.336 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)N(C)c1ccccc1 1706848866 HTNQGNFHMURTIK-IKGGRYGDSA-N 433.582 2.152 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1707807545 DKEOAPRNRNTQPR-QFIPXVFZSA-N 428.585 2.223 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1709142067 OMIYTCWLSKFKAP-QHCPKHFHSA-N 435.507 2.481 30 10 IEEE CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1709879563 QLSNVYPKMGWALH-DLBZAZTESA-N 447.561 2.479 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1712102511 YDIZVTDBPLXRNA-RDTXWAMCSA-N 426.521 2.162 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@]2(O)CCSC2)c1 1722309189 KEHMMUBWZITEES-QFIPXVFZSA-N 425.558 2.470 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722317926 KVIBNHXBMKYEMG-SFHVURJKSA-N 428.581 2.335 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722322495 TYLZLOPKUGJISQ-UHFFFAOYSA-N 441.605 2.269 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722359846 WNDWLWLMIBZLMI-KRWDZBQOSA-N 434.537 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(C)=O)CC1 1722398726 BKKNUZMGBBASNZ-UHFFFAOYSA-N 443.555 2.238 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccco2)CC1 1722433989 HSMLDVPYLGBBFL-OAQYLSRUSA-N 426.908 2.249 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2CCOCC2)CC1 1722450136 YLLFOAAPVBQLJE-UHFFFAOYSA-N 435.572 2.456 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C3OCCO3)c2)CC1 1722559619 COGWSHROGPOOTQ-MRXNPFEDSA-N 447.561 2.138 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(COC)c2)CC1 1722559991 NSLUFEJESLQSDW-OAHLLOKOSA-N 437.541 2.379 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](COC)OC)C1 1722714865 KRNVVDIPWDGWKT-ROUUACIJSA-N 430.505 2.159 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCO[C@H](C)C1 1722727518 JBDUNKLYMINJIP-VQIMIIECSA-N 448.545 2.007 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(COC(C)(C)C)on1 1722861241 GPGRBGUGJLAEDC-HNNXBMFYSA-N 429.525 2.461 30 10 IEEE CC(C)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1723221424 MHCNTUPTVPCQRJ-VEGAHXMMSA-N 435.532 2.273 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CCCO1 1726660091 BGYKHULUBVTHOU-HNNXBMFYSA-N 441.513 2.477 30 10 IEEE CCOCCn1c(Cc2ccsc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729161906 PGSRBCUGTHNYGW-UHFFFAOYSA-N 440.577 2.207 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729301032 HOVYSEASUNQXRU-UHFFFAOYSA-N 444.543 2.407 30 10 IEEE CO[C@@H](CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1729855873 PKTLITRMHIIZJJ-RDJZCZTQSA-N 437.470 2.428 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1740534949 LEHLTRBVZCKQJK-UWJYYQICSA-N 438.594 2.134 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1740600511 OHUTVNBMQXOUOK-HSZRJFAPSA-N 431.581 2.035 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CN(CC(C)C)CCO1 1740681274 FPECVLMMOOKVBI-IBGZPJMESA-N 446.983 2.436 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@H]2CCCCO2)CC1 1740709200 CSCSXMCJZYVHRW-WOJBJXKFSA-N 429.565 2.445 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN(C)CC(F)(F)F 1740733375 BULYAOMZWAIUHC-LJQANCHMSA-N 426.487 2.277 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCNS(C)(=O)=O 1740755249 JFGJKAUOBUDHJC-WOJBJXKFSA-N 447.605 2.474 30 10 IEEE C=C(C)COCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1740799143 GOHPBEIBOMNTPY-QHCPKHFHSA-N 449.596 2.218 30 10 IEEE C=CC[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)c1ccccc1 1740856930 YTHFQIJTHPJXBZ-RBUKOAKNSA-N 436.560 2.083 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740868684 QIGPUPRMNZNLQO-LAUBAEHRSA-N 433.578 2.261 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740930550 VQNADMNSZNIGDJ-QGZVFWFLSA-N 432.536 2.414 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C(=O)NC)C1 1740975718 XLFVDWHOYHTYJW-KRWDZBQOSA-N 428.493 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1740992350 FULVMCBILIUBNU-MRXNPFEDSA-N 439.607 2.096 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COc2ccccc2O1 1741123504 DTDKBGYZGXFPSN-CVEARBPZSA-N 433.472 2.361 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1741131256 RWFQWRJZCARRKB-AWEZNQCLSA-N 445.524 2.469 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1748803153 OXZSKKURWCLCFV-SFHVURJKSA-N 434.585 2.388 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748825207 WNUNLFZTSJSLIY-OKZBNKHCSA-N 444.557 2.148 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CCCO1 1748858063 LHHQMSOWVXBZTH-MBSDFSHPSA-N 443.548 2.228 30 10 IEEE COc1cccc(Cl)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1748958863 DAMWEIPAGISCJO-KGLIPLIRSA-N 437.953 2.486 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@](C)=O)CC1 1749086506 HTUFCWYZVNTBHH-QTEAWJPNSA-N 433.509 2.219 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C 1749378162 VTLXOSQGMKOPFQ-SFHVURJKSA-N 427.484 2.392 30 10 IEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1750883111 FZZXWEKQNLPCSN-DEOSSOPVSA-N 437.592 2.458 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760188448 KZYBIIAPHCDAIJ-IBGZPJMESA-N 441.532 2.292 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cc(OC)ccc1OC 1760218166 ZJRKFVGWEKXSHC-FQEVSTJZSA-N 435.528 2.342 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C(=O)OC)C1 1760313201 KOXLPSIXFMTOHE-JZXOWHBKSA-N 433.553 2.177 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760445929 ZZQAVINLFPPQQU-GOSISDBHSA-N 443.552 2.257 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1760461081 KBVWYHUSGARVQF-UHFFFAOYSA-N 430.516 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(Cc1ccccc1)C1CC1 1760554069 QMCHUNZAFWCOCI-UHFFFAOYSA-N 426.546 2.448 30 10 IEEE CC(=O)N1CCN(CCn2c(C(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1 1760621534 NFEKOFPKWYLRTK-YADHBBJMSA-N 435.576 2.309 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@@H]2CCCO2)n1 1762439891 CHVDLPQDEZUNEK-GHTZIAJQSA-N 431.516 2.167 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1764188630 VRLGSWZZDQCZQK-HXUWFJFHSA-N 439.564 2.234 30 10 IEEE N#Cc1ccc(C(=O)N2N=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1F 1851258490 HZXWXZRLJGRZLP-UHFFFAOYSA-N 440.456 2.457 30 10 IEEE Cc1cc(C(=O)N2CC(C(=O)Nc3ccc(C#N)cc3I)C2)no1 1851876282 BBBUYDMHNAQLKG-UHFFFAOYSA-N 436.209 2.170 30 10 IEEE N#Cc1cnn(-c2ccc(Cl)cn2)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1852846735 KYNQTXCNFKFSAJ-IRXDYDNUSA-N 440.891 2.172 30 10 IEEE Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1853399580 LZBBWZLOUCWMJC-CYBMUJFWSA-N 446.437 2.300 30 10 IEEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854136382 XZFBPXNADNMOMA-CQSZACIVSA-N 431.901 2.415 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc4ccccc4c3)C2)CC1 1857055572 GFYWJDCFYVBSCP-HXUWFJFHSA-N 425.510 2.394 30 10 IEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861175425 GVNPQUKTDVQZEJ-YADHBBJMSA-N 427.589 2.460 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CCc3cnc(OC)nc3)sc2c1 1866151468 YWGBJLRIQWBONB-UHFFFAOYSA-N 433.515 2.131 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CC(O)C2)nn1-c1ccc(C)cc1 1869997227 BFCVFMXHGUMPDV-UHFFFAOYSA-N 435.484 2.339 30 10 IEEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(NCCN3CCOCC3)ncnc21 1875227667 IXAKSHKOQHBJKA-ROUUACIJSA-N 426.565 2.480 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)cs1 1889525845 XXOPKOQNBAYOEV-UHFFFAOYSA-N 427.530 2.045 30 10 IEEE COc1ccc(CNC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890358840 SDIHDZXONBZUQA-UHFFFAOYSA-N 442.604 2.415 30 10 IEEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1990495295 RAOMUMJOJBKLTK-CVEARBPZSA-N 425.574 2.404 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)C1 2020900473 TUMIKKXUVQAUKE-CQSZACIVSA-N 439.509 2.132 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2022804563 RJRSJMXZROETTI-UHFFFAOYSA-N 449.495 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060624469 YKKGOBXYADYRRK-BAFQHUKZSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060642200 STEMOJABSFJJLO-UONOGXRCSA-N 436.293 2.062 30 10 IEEE C#CCN(CC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl)C(=O)OC(C)(C)C 2181131712 YDIYHOKFPCHRGU-UHFFFAOYSA-N 436.317 2.450 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247920145 WPLUZBBEWMDIBD-KGLIPLIRSA-N 437.733 2.430 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2247922990 QOYGJYYWCTXMFE-UHFFFAOYSA-N 425.363 2.400 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 2255666154 PAAKTXIZVOJAQT-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255882937 XJSUBJYGFTYNEH-UHFFFAOYSA-N 434.346 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256717961 MLCPMKHLYXFYEH-ZHRRBRCNSA-N 434.342 2.154 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267135047 XZHSMDZSSIYVBX-FXAWDEMLSA-N 438.381 2.360 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267135402 CCKFVCKYCWAWPM-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C 2267152701 SJBBIKSNTCARCH-LSDHHAIUSA-N 448.373 2.155 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(Cc2ccccc2)C1 2267178423 BJSYZOAPTSGXLY-IEBWSBKVSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2267288494 CPDJGQUAKRKFKO-HOTGVXAUSA-N 448.325 2.039 30 10 IEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267503617 GNZUEUMFQLZUNE-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2267589961 IICGQQSMPZWJBW-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE CC(C)(C)OC(=O)NCCC1CC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873343 XUXRGBFWJVPADV-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268656588 YQVXCMMUHJLOPW-KRWDZBQOSA-N 446.353 2.415 30 10 IEEE CC1([C@@H]2CCCCN2S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)OCCO1 2282855779 JGBSDTUITOXMNY-AWEZNQCLSA-N 443.396 2.354 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2296296291 MEKFAWNSVOMQHP-YLJYHZDGSA-N 439.350 2.387 30 10 IEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccnc1 2329056443 FROUDRWFQDXWDE-MRXNPFEDSA-N 430.534 2.325 30 10 IEEE C[C@@H](C#CC(=O)O)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2366828014 LDIVPUWZOHLMAL-SWLSCSKDSA-N 439.306 2.478 30 10 IEEE N#CCCN1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)C1 62040733 HCNYOIDCRGLIEP-CQSZACIVSA-N 448.936 2.495 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(Br)cc2)/C1=C(/O)c1ccco1 102559637 HADNUOLGPNWLHZ-SCDSTIRESA-N 436.258 2.473 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC1 443322183 RWWKVBAOUSOKPX-UHFFFAOYSA-N 428.558 2.189 30 10 IEEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C2CC2)c1=O 478838933 GRJFQNJPOVZCAS-OAHLLOKOSA-N 426.513 2.445 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)NCc3cccc(N4CCOCC4)n3)CC2)nc1 483220888 XZYDMJXFIRMKSM-UHFFFAOYSA-N 436.516 2.374 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(-c2ccc(F)cc2)c1=O 502062873 JEUNMSXGFCJUEC-UHFFFAOYSA-N 430.464 2.158 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 503084364 FFWNCEVEKQAMIW-HSZRJFAPSA-N 434.581 2.089 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 508841062 OIWAWFFGNIRJBO-QGZVFWFLSA-N 437.548 2.018 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)cs1 523858237 GHPPDXJWXODCKW-UHFFFAOYSA-N 436.562 2.185 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 525928307 BGRAKWHAMYOIQE-UHFFFAOYSA-N 427.475 2.243 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(Cl)c(C#N)c4)CC3)C2=O)n(C)n1 543751189 XLJYKAVPTGWXPE-LJQANCHMSA-N 440.935 2.207 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)n1 546923031 IMVHNLYLZWXDRA-GOSISDBHSA-N 442.882 2.383 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)n1 546925898 CVXYHKDCFBWXEA-UHFFFAOYSA-N 432.875 3.018 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccc(F)cc1 551082453 BBJPXWAXVRBDIP-UHFFFAOYSA-N 435.524 2.319 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccccc1C 603798718 FWHTZZIBXFOZKE-UHFFFAOYSA-N 431.517 2.021 30 10 IEEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C=O)O1 605693812 RMBAHNFRPVNIHT-XWCQMRHXSA-N 432.488 2.481 30 10 IEEE in-vitro C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 670220029 NCTJCXMQBLSSHC-IBGZPJMESA-N 438.576 2.265 30 10 IEEE Cc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1C 727868108 JDBCNQJGWXAFIW-QQTULTPQSA-N 442.541 2.485 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1-c1ccc2c(c1)OCO2 735295508 ZAJATIGIZPWGFG-UHFFFAOYSA-N 443.484 2.443 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1Cc1ccccc1 736581479 GUAJKGGZZYASMB-UHFFFAOYSA-N 438.578 2.061 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CCC(=O)N2C)cc1 744008177 YJNUFAJUZWXKLF-TZIWHRDSSA-N 441.509 2.123 30 10 IEEE C[C@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C#N)c1 744898787 DYVKXYYCSWBLND-XJKSGUPXSA-N 433.511 2.343 30 10 IEEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C#N 746877748 SCMUIUNOVUXFDM-HZPDHXFCSA-N 443.525 2.295 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1 749201090 WKVHCVWOCXZDTE-RFZNHBKKSA-N 429.473 2.002 30 10 IEEE Cn1cc(-c2csc(=Nc3ccccc3C#N)n2C[C@H]2CCCN2S(C)(=O)=O)cn1 753747845 MXQGOEGQUUYCSK-QGZVFWFLSA-N 442.570 2.478 30 10 IEEE C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])C1CCCC1 757180172 XSKUOFMZUQLUFP-UHFFFAOYSA-N 437.518 2.409 30 10 IEEE CC(C)[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)n1nnc(-c2ccccc2)n1 760404565 HFVDABFDJFHEHO-QGZVFWFLSA-N 430.534 2.457 30 10 IEEE C#CCNC(=O)[C@H](C)OC(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O 780119990 YBSOCYWOYHBBMU-QLBUUCPGSA-N 429.469 2.330 30 10 IEEE Cn1c(COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nnc1C1CCC1 783117744 UWFYTXNRWSVXAT-UHFFFAOYSA-N 445.545 2.425 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)OCCC1CS(=O)(=O)C1 790647374 QZGOWCXECPHPMC-UHFFFAOYSA-N 432.292 2.076 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1Cc1ccc(F)cc1F 791762047 GSXDMKDJEVGQBZ-UHFFFAOYSA-N 431.424 2.045 30 10 IEEE CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1ccc(N2CCCS2(=O)=O)cc1 793197340 SFRRNXYWNCPXHQ-UHFFFAOYSA-N 436.559 2.313 30 10 IEEE C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccc(NS(C)(=O)=O)c1 813593345 QKRMBZSLHFDMCJ-KSSFIOAISA-N 429.502 2.249 30 10 IEEE Cc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1C 916178482 ZYGMUTDQEYFQLG-UHFFFAOYSA-N 441.538 2.494 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCc2ccc3c(c2)OCCO3)cc1OC 916924108 RDCFZLWYXCBVFJ-GOSISDBHSA-N 438.480 2.475 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 919766684 KONOFGRSHNMHCI-UHFFFAOYSA-N 440.525 2.325 30 10 IEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NCc1ccccc1 1084277202 YOKRKTWLYAVNET-UHFFFAOYSA-N 427.446 2.273 30 10 IEEE C=CCCn1cc(C(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)nn1 1124301272 SMTWNYNATYTZBM-UHFFFAOYSA-N 437.504 2.346 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)CC)c1ccc(Br)cc1 1141461166 PQKOWSBVYRMTBU-LSDHHAIUSA-N 433.393 2.301 30 10 IEEE CCS(=O)(=O)NCc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1144280501 BJVXBDAUWUIBGK-UHFFFAOYSA-N 440.569 2.392 30 10 IEEE COC[C@@]1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCCCN1C(=O)OC(C)(C)C 1154224212 STAJCBPMWVPDFN-HSZRJFAPSA-N 443.548 2.408 30 10 IEEE CCOC(Cn1ncc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1N)OCC 1163651848 CTWKXVZKDWAYRB-SFHVURJKSA-N 426.521 2.087 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)cn2)cc1 1174792631 JVSWQJDGXJEYNH-UHFFFAOYSA-N 430.399 2.243 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CC[C@H](COC)O3)n[nH]2)c1C 1178597806 JOWONZJDSGMYPB-AHRSYUTCSA-N 429.521 2.111 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc(S(=O)(=O)N3CCC3)ccc1Cl)C2 1179869770 NFUUCFUMPPPSFT-UHFFFAOYSA-N 436.946 2.448 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 1194494163 GWEITLVKRDWYFA-UHFFFAOYSA-N 426.420 2.492 30 10 IEEE N#C[C@@]12CN(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]1CS(=O)(=O)C2 1198084708 KKLXYPHPTPTVGH-YWZLYKJASA-N 433.917 2.086 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)C[C@H](O)c2ccccc2)cc1Br 1211414261 BFTLZEVGAADLAR-BBRMVZONSA-N 443.294 2.223 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OCC 1213546014 CKMNSOXXWFNGEG-GFCCVEGCSA-N 434.308 2.412 30 10 IEEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)nn1 1276646181 IBDOTWMDGXSYLK-UHFFFAOYSA-N 443.554 2.203 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1286313922 HRPFNBLNKQXSLT-SJORKVTESA-N 431.562 2.479 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(N(C)C)CCSC2)CC1 1286483298 FXLSVLYRQBQOTL-XMMPIXPASA-N 438.645 2.256 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286494068 JECNIPRMYDENMY-UHFFFAOYSA-N 440.529 2.351 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1286606666 XIQXLNJAFCBKLA-PMACEKPBSA-N 436.516 2.271 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286785380 DQBSNJMWXLHGFN-QGZVFWFLSA-N 430.578 2.029 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2conc2COC)C1 1286813006 QJWOFLIYIPBKGH-SFHVURJKSA-N 427.509 2.104 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286815944 CTYUGVOVCYTSKG-GOSISDBHSA-N 426.546 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286821350 IARNRLBOXUSVLB-PXNSSMCTSA-N 447.580 2.282 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1286823004 QOHSSDUIOYGBDM-NRFANRHFSA-N 434.537 2.068 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCO[C@@H](C)C1 1286823180 LTRACADVVMLSIZ-SFHVURJKSA-N 434.562 2.382 30 10 IEEE CC(C)OCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1288385918 UGKOGLSETWYLGL-QFIPXVFZSA-N 439.495 2.449 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1288529947 BZZFMWUKPUYIKV-YXJHDRRASA-N 425.537 2.477 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)OC 1291424678 AQBZFCIHOZHMEL-XLNTUCKNSA-N 427.505 2.351 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1294920027 DRGDJEMZBINHKU-CVEARBPZSA-N 433.557 2.472 30 10 IEEE CC(C)n1ncc(C(=O)NCc2ccc(C(=O)NO)cc2)c1I 1297054563 PKOSRSZAMAHUMS-UHFFFAOYSA-N 428.230 2.118 30 10 IEEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)C(=O)OC 1299178480 GWMNETDJDNZMNF-IBGZPJMESA-N 434.558 2.066 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300421752 QINFNEBSRQSZSB-SFHVURJKSA-N 448.531 2.111 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300611253 AWSFOBKYIWBPNW-QFIPXVFZSA-N 430.574 2.252 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)NC(C)C 1300740986 JLXRIZYCWZXGJH-UHFFFAOYSA-N 439.383 2.363 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1300823764 JHOLFDLERKTOJC-CQSZACIVSA-N 435.388 2.340 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1302066297 DFTMAAAMDFUVHB-KRWDZBQOSA-N 444.536 2.210 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)N(C)Cc1ccccc1 1303711506 FBJSKFXXZBHJAX-TVTNDZMWSA-N 425.512 2.192 30 10 IEEE N#C[C@@]12CN([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1308100381 NNZZRVBISTVQFB-SCTDSRPQSA-N 441.475 2.067 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2COc3ccccc3[C@@H]2O)cc1Br 1309546388 GGINREZOSBBRRU-CJNGLKHVSA-N 427.251 2.233 30 10 IEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)cn1 1313842389 UHYKAIFANROPFO-HSZRJFAPSA-N 448.531 2.060 30 10 IEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1314869624 CWSCHLBBAZLAPB-UHFFFAOYSA-N 440.939 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1C(C)(C)C 1358896561 HJQCOQDEYJIUJL-CQSZACIVSA-N 426.550 2.122 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC[C@@H]2COCCO2)c1 1358901203 CNCNQLWHWMLVJO-HXUWFJFHSA-N 446.511 2.202 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2c(C)nn(C)c2C)CC1 1359036879 MOZGNKOYEZZETC-UHFFFAOYSA-N 439.514 2.301 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](CC(N)=O)C1 1359077882 NLRZZLJWEMTELF-ZIAGYGMSSA-N 430.347 2.003 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1359098076 XBRGTUCNJBZVNS-MMOPVJDHSA-N 444.580 2.096 30 10 IEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1359188067 FRNGUMIWOYIXLM-GOSISDBHSA-N 438.580 2.366 30 10 IEEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359229193 BBGHTSSHHCOORV-FIKGOQFSSA-N 436.509 2.026 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@@H]1C 1359929673 LUJWYIULMKKSNV-OPAMFIHVSA-N 444.536 2.312 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cccc(F)c2OC(F)F)c1=O 1459212951 VKQHFFMKPCQNKH-UHFFFAOYSA-N 425.363 2.012 30 10 IEEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)CC)CC1)c1ccc(Br)cc1 1469416981 UKJYEYLKLTYRGZ-INIZCTEOSA-N 428.352 2.237 30 10 IEEE C#C[C@@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC)C1CCOCC1 1470868386 YOWWTBABXFIXDM-KBXCAEBGSA-N 439.350 2.336 30 10 IEEE CS(=O)(=O)Nc1cc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)cc(C(F)(F)F)c1 1471525039 FJWFGYOTEYMQOY-VIFPVBQESA-N 444.300 2.365 30 10 IEEE Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371635 VSZQIJXJVCAZSD-UHFFFAOYSA-N 438.875 2.033 30 10 IEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)Cc1ccccc1 1473455417 ZTBMUPGQXFWAMC-UHFFFAOYSA-N 439.581 2.272 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)N(CCO)C[C@@H]2C)n(-c2cccc(F)c2)c1C 1473564719 OIJYETATGSZXCY-HOTGVXAUSA-N 427.524 2.430 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC 1475467764 VBYRVAJAODCORW-UHFFFAOYSA-N 430.910 2.273 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 1476192389 XGFSHRAXQVLSMD-UHFFFAOYSA-N 432.502 2.085 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1478815607 KTAMUXOFHDFGEK-FQEVSTJZSA-N 440.544 2.421 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccc(Br)cc1 1478895522 CXHDAOPGDBVUNC-XJKSGUPXSA-N 428.352 2.094 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCSCCCO)cc1 1505316390 IEBRMKPVCFRZTP-WOJBJXKFSA-N 443.573 2.317 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NCCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507598466 FZKQVLJKRDQBHU-WMZHIEFXSA-N 431.581 2.475 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@@H](C)C1 1507772245 NHJUHRFFNQZDFX-IBPRQYQWSA-N 445.608 2.495 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507840292 LFYRBQFFRXMLIU-KRWDZBQOSA-N 448.545 2.280 30 10 IEEE C=CCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507954500 VKEKMJTXTZBCQT-JOCHJYFZSA-N 427.553 2.402 30 10 IEEE C=CCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508068505 ZSDQWLAAGUYEOH-WCVJEAGWSA-N 432.525 2.170 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1508335302 DRBSNVOCGDKXOO-UHFFFAOYSA-N 432.532 2.288 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCOCC1 1508417232 IAGNZMLRZJHIQG-MRXNPFEDSA-N 426.521 2.380 30 10 IEEE Cc1ccccc1-c1nnc(N(C)C[C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511243892 LJOZKNROZQNSON-XGIGFIBQSA-N 436.516 2.253 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513035647 DTNDSFMHTWCDFW-JLUOLNIDSA-N 429.569 2.096 30 10 IEEE CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)OC 1513250419 CRMDIWVLNNLDDU-CRAIPNDOSA-N 426.587 2.224 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)CC[C@H](C(=O)OC)C4)cc2C1=O 1529174870 IEBDDYXOIUDYGF-LBPRGKRZSA-N 425.466 2.455 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1531928061 HBOCPRHEHHYBOU-KBXCAEBGSA-N 426.304 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC(OCC)C1 1538972687 JNZQSQXDNMZXJZ-XIWWETDGSA-N 436.354 2.434 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1538991838 FMDAOGWRECUGEM-GOSISDBHSA-N 440.592 2.446 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539142933 ZJFDQXLZUIOJMZ-GOSISDBHSA-N 425.537 2.367 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCN(CC)C1 1539242449 UWHIBOFEBJTIBO-GOSISDBHSA-N 437.544 2.386 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OC)CCCC1 1539257638 NAKZBLRSXRMNDF-UHFFFAOYSA-N 430.512 2.224 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1COCCO1 1539385003 SXLCFXWTVUPPBB-FQEVSTJZSA-N 443.523 2.391 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1539435979 FOJPHZLJTPSRAP-GOSISDBHSA-N 428.968 2.074 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1539454214 ZZVQSARANXNGQX-HSZRJFAPSA-N 442.608 2.201 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539744722 UQTADQABWXSYNL-NRFANRHFSA-N 438.576 2.487 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539961283 SECFQRKVGYAFIG-INIZCTEOSA-N 445.593 2.261 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1540136510 IIPPLYREVPRPJE-QGZVFWFLSA-N 447.536 2.138 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1540893709 IOYAPJGVMVMGTR-HXUWFJFHSA-N 443.523 2.038 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCCCO)cc1 1554867529 QBVQNLVXZFHHPA-IBGZPJMESA-N 442.589 2.246 30 10 IEEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC=C(C(F)(F)F)CC2)o1 1555989298 FZJMSHXLTRSKAH-LBPRGKRZSA-N 441.435 2.392 30 10 IEEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)c1ccn(-c3cccc(C#N)c3)n1)C(=O)N2 1558570226 MYVZFUCWHHUNNC-IBGZPJMESA-N 429.436 2.214 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2Br)CC1 1561866380 GAINJAAOGBNQDL-UHFFFAOYSA-N 430.320 2.165 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCCC2CCN(CC(F)(F)F)CC2)n1 1564249319 HPAFXWBRWGISRZ-UHFFFAOYSA-N 429.487 2.339 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 1565603809 HNOURFITSRWNDX-UHFFFAOYSA-N 441.329 2.307 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 1567983098 MNBAVNNNKPONHQ-NRFANRHFSA-N 438.549 2.447 30 10 IEEE COCCN(CC#N)C(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1570082863 HQUPFGPOGFYXOU-UHFFFAOYSA-N 448.589 2.464 30 10 IEEE O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)C1(n2cnnn2)CCOCC1 1585000400 AZDOMEWOKQEXSY-UHFFFAOYSA-N 428.264 2.497 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H]1SCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588060124 ZZYNGIXDXOSEOE-HKUYNNGSSA-N 430.599 2.498 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1588149468 TZDGHHCCEBCFAC-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N2CCC(C)CC2)CC1 1588914149 YCVPWZZJQLTDQO-FQEVSTJZSA-N 449.603 2.426 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1594813394 RVWUMVNJIHEKOD-KRWDZBQOSA-N 431.562 2.399 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CCOC)C1 1595772700 GMBVVDGMNPWRCV-OAHLLOKOSA-N 439.969 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1595821665 CCHDJLAWJPKZEK-QAPCUYQASA-N 433.509 2.124 30 10 IEEE Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1596978285 LXPWKCUHFCOMFO-SFHVURJKSA-N 429.484 2.465 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1613431253 FALXHUXLPPWERO-LMCOJAPRSA-N 449.559 2.278 30 10 IEEE CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1617638916 QPHXZNIVGSPZSV-FRQCXROJSA-N 446.502 2.482 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1CCN(C(C)=O)CC1 1620094917 KDQVAEULVFWKCE-PMACEKPBSA-N 430.553 2.001 30 10 IEEE CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1620162845 HTORXDGWTORWKR-HXUWFJFHSA-N 441.557 2.382 30 10 IEEE C#CCCCS(=O)(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1622666483 BNQUEEHSJRIJBO-GOSISDBHSA-N 429.380 2.017 30 10 IEEE COc1ccccc1C[C@@](C)(CO)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1623739975 CPZFZHBVBLBNPP-BTYIYWSLSA-N 431.514 2.496 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1S(=O)(=O)NCC#N 1627639910 SEWWYSPXAKGROI-SFTDATJTSA-N 441.553 2.395 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1628214156 GRNCIKKGYJICAR-UHFFFAOYSA-N 447.377 2.456 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)cc1 1632180344 JRAUJUHYENMRME-DNVCBOLYSA-N 442.541 2.199 30 10 IEEE C=CC1(CC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1632913375 JYFWZQPEVLPIAF-UHFFFAOYSA-N 444.532 2.364 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2nn(C)cc2I)C1 1640218923 MXXDGOQTLPAKKZ-CQSZACIVSA-N 435.269 2.247 30 10 IEEE C#CCOc1ccc(CNC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1 1640953998 UXAYMMOIINZECM-SSEXGKCCSA-N 434.558 2.463 30 10 IEEE CC(C)OC(=O)CNC(=O)[C@H](C)SCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1644002165 RPFFSUSUMFXEKO-AWEZNQCLSA-N 444.475 2.363 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc2c(c1)OCCCO2 1645632629 RGJRBOKZHUNOCC-UHFFFAOYSA-N 443.525 2.026 30 10 IEEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@@](C#N)(c2ccccn2)C1 1647980833 MPERSOFKJYPIFG-RLWLMLJZSA-N 447.583 2.476 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 1651805078 AMLDAQDIGXPBLM-OAQYLSRUSA-N 428.577 2.227 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1 1653933215 DIRKVUSYERJBAE-UHFFFAOYSA-N 447.557 2.164 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1Br 1655516378 FFZKZQGOFFZLAS-GDBMZVCRSA-N 447.326 2.448 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccccc1C(=O)OC 1656936884 WVDQSIUABRRMGZ-UHFFFAOYSA-N 436.530 2.497 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1662651649 NTKBZMZJMHXIOJ-IRXDYDNUSA-N 448.463 2.240 30 10 IEEE Cn1ccnc1[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1 1663811602 FURZLWPWVOWNRT-DOMZBBRYSA-N 425.308 2.253 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CCCc3ccccc3)c2)CC1 1666677279 VMRNELKYILRFGX-UHFFFAOYSA-N 440.569 2.479 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](NC3CCOCC3)C2)cc1Br 1672271836 GJSAAERRVHAAIJ-CQSZACIVSA-N 446.342 2.382 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 1674310178 PBYVVDIUVVJZME-UHFFFAOYSA-N 428.577 2.181 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1CCCO 1689833996 UVZKDBQOHNILKZ-ZBFHGGJFSA-N 435.370 2.340 30 10 IEEE C#CCCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1689906300 KPVVLPXNAIYANT-QHCPKHFHSA-N 444.580 2.118 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1689920877 MMXGADKSCMOUJC-UHFFFAOYSA-N 438.532 2.370 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988855 XLHGRNCKGDSIPK-XLIONFOSSA-N 427.574 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)nc2ccccc12 1690030500 WGODDINAJPGOAQ-UHFFFAOYSA-N 430.512 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC(C)C)N(C)C)CC1 1690146458 OBHXWNJWKZCQQV-NHCUHLMSSA-N 444.624 2.462 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1690169928 SHOHKNWIUCPZTH-QGZVFWFLSA-N 443.621 2.422 30 10 IEEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690185323 XHBWIKTXVASBOF-SFHVURJKSA-N 445.614 2.196 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1690239513 XSIFYOOXVPEGIF-NCOADZHNSA-N 443.639 2.201 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC(OCC)C1 1690530178 IODWOMPUVMJDCD-UHFFFAOYSA-N 426.565 2.156 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CC[C@H]2C3)cc1 1690678997 IBUSMHRLXLRDIE-SZMVWBNQSA-N 431.562 2.490 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705568937 AZHIAEODLGEZRX-BHIYHBOVSA-N 448.614 2.108 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC1(S(C)(=O)=O)CCC1 1705585533 GPUKONVVGSPTKU-UHFFFAOYSA-N 426.542 2.206 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 1705648780 YNRQGQJNYACRBT-YJBOKZPZSA-N 442.589 2.316 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705737634 WQENQMDVLLWNBX-KRWDZBQOSA-N 434.610 2.378 30 10 IEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1705803404 PSOUSSZZAJQVAV-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1705877975 GJYRPEZDPPERKF-RTBURBONSA-N 436.560 2.379 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1705883275 BWKXUHOBKGIUAV-UHFFFAOYSA-N 444.536 2.047 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(F)(F)CC2)C1 1705916050 NKYCXVKEQKHDRK-HOCLYGCPSA-N 447.552 2.495 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nncn2CC)C1 1705921049 KOPSJJLVMIIDSD-KRWDZBQOSA-N 439.520 2.403 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1706232194 WAHHOZCHFZBTOX-SFHVURJKSA-N 426.521 2.116 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(N(C)C)CCOCC2)CCOC1 1706661304 VXYZLVBRYFFUGG-AVRDEDQJSA-N 434.585 2.168 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1707593180 HDEVKOVBJJZISD-HTXNQAPBSA-N 443.458 2.410 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCC)c1 1722284974 RHYLJBWDRJQEEK-MRXNPFEDSA-N 431.500 2.181 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nnc(C)s1 1722292584 AEDVCCQEIBJGPX-HNNXBMFYSA-N 437.577 2.313 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1722302262 HERPPTPTGMVSAR-CYBMUJFWSA-N 427.983 2.231 30 10 IEEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)C1 1722311380 VRHVTMDPKHCCBW-UHFFFAOYSA-N 432.322 2.456 30 10 IEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722334428 GDFPZXJCRFTXIS-UHFFFAOYSA-N 440.567 2.412 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722392077 FZPSHVQVCFKWOF-UHFFFAOYSA-N 442.541 2.002 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1722459338 IFARPMUZYBVKHX-NRFANRHFSA-N 447.649 2.477 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1722739249 UADQGXRHNUTIJN-YJBOKZPZSA-N 429.546 2.412 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1726712355 RQGLLLLKFYLLDZ-JCFLCSRNSA-N 442.545 2.070 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740597389 STGSDEQULPQZCC-XXBNENTESA-N 429.565 2.323 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1740615885 NCZYTPLUUBVELF-PMACEKPBSA-N 444.601 2.460 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(OC)c1OC 1740652142 SMWICBXRANCUFI-UHFFFAOYSA-N 434.500 2.216 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1N1CCOCC1 1740676232 WDWFZVROUKKQIN-UNMCSNQZSA-N 439.560 2.347 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSc2ccccc2)CC1 1740692306 IIAMHCRGECKYBN-QHCPKHFHSA-N 441.601 2.478 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)on2)CC1 1740693416 XVBGZLYLUDFXTB-UHFFFAOYSA-N 444.337 2.146 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CN(CC)CC)c2)CC1 1740695644 ZTFRVPKZDJJYPO-UHFFFAOYSA-N 446.603 2.324 30 10 IEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1740795424 UZRKPVXEDXPAOO-LJQANCHMSA-N 449.577 2.280 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740814232 PETRPHUOOMCQRW-UHFFFAOYSA-N 445.014 2.247 30 10 IEEE C=CCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949254 BNHDAUPMYFMFLM-HSZRJFAPSA-N 443.596 2.177 30 10 IEEE Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CC2)n1 1742888810 VOZBKGNGFCASMM-UHFFFAOYSA-N 438.492 2.179 30 10 IEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1)OC 1744139127 KPQLFJSRPLRGHJ-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 1745681281 FYGFOWAQJIYKDX-APWZRJJASA-N 425.493 2.314 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1748760165 URZYWVOEPFZTLL-XMMPIXPASA-N 434.544 2.443 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(CN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1748803858 AKNJGNMEESOQAF-NRFANRHFSA-N 429.590 2.103 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(CCCCC2)O1 1748845876 BLPGAKDKPNVGDQ-RBUKOAKNSA-N 430.574 2.135 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)CC1CC1 1748851473 FJOKIIRXWLGBPC-UHFFFAOYSA-N 435.553 2.179 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1749216014 HUVZJBLMFJSDDR-QGZVFWFLSA-N 443.504 2.292 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1749450989 ZRXFAUUBXUUBRL-HNNXBMFYSA-N 432.491 2.082 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccccc2F)C1 1749676102 DUQUPEVACANNNK-FQEVSTJZSA-N 436.491 2.283 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCc2oncc2C1 1749680386 KQCNPPWEMRJMAT-UHFFFAOYSA-N 438.488 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(C)C)C1 1749727132 NRSAVLYSKXMPLD-LJQANCHMSA-N 448.545 2.136 30 10 IEEE COCCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1749747520 PPNFSAFAFHDQHN-UHFFFAOYSA-N 428.880 2.457 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749762164 RGZLCLXNXXIAKT-LJQANCHMSA-N 425.562 2.495 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(F)c2)CCO1 1750387475 ZJBQXZLQYWODEU-SFHVURJKSA-N 435.463 2.426 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1750388202 LWPWRSKKQLJPNZ-HNNXBMFYSA-N 444.421 2.044 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCSC2)CCOC1 1751017864 PUZZKFZOUPHWBC-RTWAWAEBSA-N 435.594 2.317 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)NC)c1 1760126525 AZYWHVYXZHDZOC-VDGAXYAQSA-N 425.533 2.062 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760153018 FQOVBDYNBWCUSK-SFHVURJKSA-N 436.564 2.191 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1760257408 VYMOZUDRBRCKEP-XUZZJYLKSA-N 446.640 2.050 30 10 IEEE C#CCSCCn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760286861 XHTABUAGFMOFMT-XQBPLPMBSA-N 433.622 2.358 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760358949 COBVIPHKHXGSAM-UHFFFAOYSA-N 447.543 2.214 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(F)c2)CC1 1760397266 PSDALTHETXTLKJ-AWEZNQCLSA-N 437.541 2.487 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC)C(=O)C1 1760448023 VUQJOJMNMAXUMP-UHFFFAOYSA-N 441.532 2.368 30 10 IEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1760464461 HZGOGAVNLZYYRA-QGZVFWFLSA-N 431.541 2.299 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1760531124 DKNYOGSPCQAIFB-NZQKXSOJSA-N 439.516 2.272 30 10 IEEE CC1(C)COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1761566884 FIIZCBKKGGKGMG-UHFFFAOYSA-N 442.589 2.393 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCCCCO)o1 1761758846 DAPKLKVVGPRIOS-MRXNPFEDSA-N 436.520 2.386 30 10 IEEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1762989797 SOYVJKUVOGQQMZ-FKIWZOAZSA-N 428.537 2.181 30 10 IEEE CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763962987 GXRUCOGRJCEJIP-DPPKGPFUSA-N 428.537 2.467 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1765104548 MQBHWHOPVXIFTA-IBGZPJMESA-N 432.532 2.491 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1766759646 JSDQPTIZTBHRRF-NQNGNYMJSA-N 431.562 2.359 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCC(O)CC1 1768900322 GCZHJNIUPALYIE-SFHVURJKSA-N 426.565 2.463 30 10 IEEE COC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1769247673 FKQYRZOODFICEK-LJQANCHMSA-N 425.537 2.190 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1769282918 NACHKEWQQNRKSZ-MSOLQXFVSA-N 447.536 2.205 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1771241882 YYDYMMXKMVQZIX-DENIHFKCSA-N 443.573 2.317 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C(C)C)cs1 1771304772 JRXQYPCUSHKLLL-MPGHIAIKSA-N 432.550 2.359 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CC2)nnc1N1CCC=C(Br)C1 1771564696 QPMCQDPCWSGIKJ-ZCXUNETKSA-N 447.337 2.246 30 10 IEEE C=CCC1(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1848459501 UYBNAKPHBFSLFE-UHFFFAOYSA-N 441.594 2.216 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)CCc3nc(Cc4ccccc4)no3)CC2)nc1 1851832976 NMKIXLMIGLTQQG-UHFFFAOYSA-N 446.511 2.225 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)COc4cccnn4)cc3)CC2)cc1 1852826627 AJWCUOTUPJPXDB-UHFFFAOYSA-N 442.479 2.328 30 10 IEEE Cc1oncc1CN1CCN(C(=O)CCON=C(N)c2ccc(OC(C)C)cc2)CC1 1853457591 DYDCRRDWANVYMV-UHFFFAOYSA-N 429.521 2.142 30 10 IEEE Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2CN(C(=O)CC#N)C(=O)O2)CC1 1855755031 HJODXJIGGIMSOU-HNNXBMFYSA-N 425.894 2.310 30 10 IEEE C=CCOc1ccccc1OCC(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1859474218 CSNIMQXPHCGYAZ-SFHVURJKSA-N 449.463 2.030 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862630509 VSUUAYVVUMILKK-BBATYDOGSA-N 426.381 2.283 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)cc1 1862757137 VKJNXJSLHYWSCI-SFHVURJKSA-N 440.408 2.342 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(OC)c1 1864717161 DAQPEOWNBIHZLN-LJQANCHMSA-N 433.468 2.287 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(OC)cc1 1870983400 TYFTUVLBMPAILP-FQEVSTJZSA-N 427.501 2.329 30 10 IEEE COc1cc(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)ccc1O 1874289721 SPSYUBBOZFWJEF-LSHDLFTRSA-N 443.485 2.040 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)C[C@@H]2Cn3c(nc4c(cnn4-c4cccc(C)c4)c3=O)S2)C1 1891717695 OGUGUCJFVFUXMO-QZTJIDSGSA-N 449.536 2.006 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCB1OC(C)(C)C(C)(C)O1 2060641723 MGJCYIUIANHQPX-AWEZNQCLSA-N 436.314 2.281 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669384 CUMOIDVQPIAKJS-HOTGVXAUSA-N 447.341 2.080 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)C1 2247555794 MKCHQTPCCLFLLL-JXORXQGFSA-N 437.537 2.045 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247834287 TVCQOXYJXJJOAP-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE C=C(CS(=O)(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2247903888 KMOHNXGVCBUEDS-UHFFFAOYSA-N 442.387 2.447 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)CO1 2255526581 WMWDKRGXHPHDGR-AWEZNQCLSA-N 436.289 2.406 30 10 IEEE Cc1c(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255528997 GXGXAZLBVFKCKU-ZDUSSCGKSA-N 436.362 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)cc2C1 2255618410 ZGPAYKDGOODVLC-CABCVRRESA-N 432.330 2.477 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255699470 XLPQZPUFXIQYFV-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255887392 ZBOOOCJMSCJBTM-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995455 AVAMAMIUFHIVEW-MJGOQNOKSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267093854 YLHOJQMIAULICU-IIAWOOMASA-N 446.357 2.084 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120001 DJHUWUHERXEDOT-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267135531 DJTBRUHGIIBXED-FPTDNZKUSA-N 446.357 2.228 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CC2 2267145052 DCZCJGMRLKCJEN-HNNXBMFYSA-N 446.357 2.180 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267145911 JSDVZAAHIYLHNT-VQIMIIECSA-N 438.381 2.421 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267191892 JJAYZPSCNZPBGW-YLJYHZDGSA-N 436.365 2.416 30 10 IEEE Cn1ncc(C(=O)N2CCN(Cc3ccccc3)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267505250 FNUWQWPUOPVVRP-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267529450 LRFMZGPZOYOZIP-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE Cn1nc(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267549424 MARNADLCXZYOID-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268639261 MXMVTEFTBPAEMA-RLFYNMQTSA-N 448.369 2.437 30 10 IEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2268643553 KURHVZJDGPGCSY-KBXCAEBGSA-N 446.353 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CO[C@@H]1C2 2313210375 YAPTXPQHHVWGNF-MCFFVMPBSA-N 434.342 2.200 30 10 IEEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2315696185 DEVWOJSZGSQSLP-LLVKDONJSA-N 447.288 2.116 30 10 IEEE COC[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2317546040 QZHNVQQRODNDKC-CQSZACIVSA-N 438.330 2.308 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322292460 CMSPQHDOBFFFFB-UHFFFAOYSA-N 437.321 2.161 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2336391989 LOMMBJLJFPKNKL-AWEZNQCLSA-N 446.357 2.086 30 10 IEEE COc1ccccc1CNC(=O)CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1 58994218 OGZRUXGNYZYGDT-UFFVCSGVSA-N 428.474 2.079 30 10 IEEE Cc1cc(C)n(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n2N)n1 218762943 FFHKQTFGERNPLX-NSHDSACASA-N 428.547 2.336 30 10 IEEE Cc1cc(N2CCN(C(=O)Cn3cc(C#N)c(=O)c4nc(C)ccc43)CC2)nc(C(C)C)n1 443551138 KKXBWLUSEAQDKN-UHFFFAOYSA-N 445.527 2.147 30 10 IEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461277318 PDNYQOAOVBVVOD-AWEZNQCLSA-N 425.470 2.196 30 10 IEEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)s1 462585862 AVBOUEHJQJLLGS-UHFFFAOYSA-N 440.934 2.356 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2cccc(N3CCCS3(=O)=O)c2)ccc1Cl 462681731 BRTDSFWAROXHIS-UHFFFAOYSA-N 425.919 2.230 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2SCCc3ccccc32)CC1 463347510 YRBCAUDPJFECMG-HXUWFJFHSA-N 427.551 2.422 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 464205523 KVTFZVUPXPSWCJ-INIZCTEOSA-N 427.461 2.258 30 10 IEEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482517566 ZQZWEPDNCPCVQX-QSFXBCCZSA-N 447.557 2.195 30 10 IEEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508813150 YVSMRLAXZQXHAW-UHFFFAOYSA-N 447.381 2.494 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O 512418013 JDRRLSVNSSKRBH-GOSISDBHSA-N 427.354 2.079 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1C[C@@H]1CCCO1 514644715 AOCPCHFFGSLLIF-IBGZPJMESA-N 437.565 2.017 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CC1=O 515156048 PGRIRNKRSAJWHD-UHFFFAOYSA-N 446.511 2.072 30 10 IEEE Cc1nc(SCC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c(C#N)c(C)c1C 521329036 MVPJNCVKFDWMFN-UHFFFAOYSA-N 443.617 2.373 30 10 IEEE CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 521423276 HYNCYVYUIPUKLV-UHFFFAOYSA-N 442.541 2.255 30 10 IEEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)n1 523463330 IAAFVASCQOUYTD-UHFFFAOYSA-N 446.467 2.325 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4nc5ccccc5[nH]4)CC3)cc2C1=O 534202813 QFDAZWOKFLQPQI-UHFFFAOYSA-N 429.480 2.303 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCC3(c4ccc5c(c4)OCO5)CCOCC3)CC2)n1 544842067 AFAXZSJXHBDXNE-UHFFFAOYSA-N 449.511 2.262 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 549236344 DVLXTUFQRRPEAN-QFIPXVFZSA-N 449.555 2.311 30 10 IEEE COc1c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc(Cl)cc1C(=O)N(C)C 585758232 SMPWLWKNKCNFSU-UHFFFAOYSA-N 432.839 2.316 30 10 IEEE C=CCOc1cc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1-n1cnnn1 586269195 RNXAIRZXMGUCBW-UHFFFAOYSA-N 425.405 2.195 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCc2ccccc2)nc1C 586300935 CSKLYBPPCQAAIX-GDLZYMKVSA-N 436.511 2.225 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H](OC(F)F)C2)CC1 611579479 KDIZKLOYTOBIRN-CQSZACIVSA-N 435.431 2.158 30 10 IEEE COCc1nc(OC)c2c(C)c(C(=O)N3CCN(c4ncccc4C#N)CC3)sc2n1 619106881 GFGVYDYJIGJDGO-UHFFFAOYSA-N 438.513 2.384 30 10 IEEE CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1=O 619843753 SRFVKQLVLJMRHE-LBPRGKRZSA-N 428.436 2.387 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669807065 CNPOPEZWJCIUGY-MRXNPFEDSA-N 430.896 2.169 30 10 IEEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(F)c1 729835374 LXMXFUQZRUJWSP-UHFFFAOYSA-N 437.880 2.302 30 10 IEEE N#C[C@H]1CN(C(=O)CCCCCn2c(S)nc3ccccc3c2=O)CCN1C1CC1 732679228 VKQFFVBJCFJXGU-KRWDZBQOSA-N 425.558 2.444 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 742530936 JLJVOSIKSSUPRH-INIZCTEOSA-N 435.427 2.057 30 10 IEEE C[C@H](C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 752615497 QBWRHLSSAMUKEB-SUMWQHHRSA-N 447.538 2.322 30 10 IEEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCN(c2ccccc2F)C1=O 758778205 RPUPMMIDSAGMKH-KYJSFNMBSA-N 445.495 2.331 30 10 IEEE CC(=NNc1nccc(N2CCOCC2)n1)c1cc2c(cc1Br)NC(=O)CO2 767387324 ZAAPNEOXNDIXPB-UHFFFAOYSA-N 447.293 2.243 30 10 IEEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2cc(C)cc(Br)c2)c1=O 772279518 VHVHONKVZWJCCK-UHFFFAOYSA-N 432.343 2.434 30 10 IEEE Cc1ccccc1[C@H](CC(=O)O)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776675501 PCQPJHMGNHJCKU-KRWDZBQOSA-N 429.498 2.146 30 10 IEEE CSCCCCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C)c1=O 782251444 MAHFIPDLGOHBPF-UHFFFAOYSA-N 444.626 2.439 30 10 IEEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2cccc(Cl)c2)c1=O 782628471 MQZPUCLRJCGMQD-UHFFFAOYSA-N 446.717 2.075 30 10 IEEE CN1C(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)C(=O)C12CCCCC2 786535908 VRBRNTBXSINRTR-MRXNPFEDSA-N 430.892 2.262 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3cccc(NS(C)(=O)=O)c3)CC2)o1 788642352 OKSSFGMUKVSRGD-ZDUSSCGKSA-N 431.518 2.320 30 10 IEEE COC[C@H](C)N=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1ccnn1C 789965575 CSFMOERSRZDCMK-AWEZNQCLSA-N 433.559 2.171 30 10 IEEE CS(=O)(=O)N(c1cccc(C(=O)/C=C\c2ccnn2-c2ccccc2)c1)S(C)(=O)=O 790601607 WAJKDBJDJMBKHS-QXMHVHEDSA-N 445.522 2.494 30 10 IEEE C=CC[C@]1(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 790854722 XCLDPEJUESAVLV-TYCQWZJGSA-N 442.578 2.185 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)c1 793116148 HVLRZELEQRSWST-AUSIDOKSSA-N 435.528 2.188 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(F)cc1C 795923641 BESCTUKEGMJUIE-UHFFFAOYSA-N 432.477 2.088 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)[C@@H]1c1cncn1C 796090478 ONGUGOGYCGMVMX-FOIQADDNSA-N 441.488 2.373 30 10 IEEE C[C@H](C(=O)OCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)n1cnc(C#N)n1 798743933 FZCFZMUJLGBGLD-MRVPVSSYSA-N 426.746 2.102 30 10 IEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800774393 XPTQTEKEBWXYOU-HSZRJFAPSA-N 446.603 2.005 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H]2CSC2(C)C)C1=O 802721314 SFGFDMQKEIIPJB-IRXDYDNUSA-N 445.614 2.452 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cc(C#N)cs3)CC2)CC1 1131219615 AAUWMPLXLZSBFT-UHFFFAOYSA-N 433.534 2.050 30 10 IEEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCO1 1134490735 YMSMXGJBFCLEFF-GOSISDBHSA-N 445.463 2.247 30 10 IEEE C=CCC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C(=O)OCC 1140925179 BDIFNKHVWGAHBV-OAHLLOKOSA-N 428.489 2.412 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1cc[nH]n1 1146962109 CSXVDFGIUURAAN-UHFFFAOYSA-N 432.330 2.412 30 10 IEEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cc(C#N)c(F)cc1C 1154148824 PSAROMBAGIFREM-KRWDZBQOSA-N 447.488 2.186 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(Br)cc1-n1cnnn1 1165488804 CYUCHJGYWZBWRB-KRWDZBQOSA-N 427.262 2.102 30 10 IEEE CN(C)C(=O)O[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1170479037 GQLCSJQEGAVDET-IRXDYDNUSA-N 443.548 2.129 30 10 IEEE CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)NCc2ccnc(C#N)c2)cc1Cl 1214061514 BOGASVHNHVCJBM-UHFFFAOYSA-N 443.312 2.206 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1c1cnn(C)c1 1286381657 OIYRXEVEQJECAD-GOSISDBHSA-N 435.532 2.338 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1286452021 QUBOGPDDDOZXCC-QGZVFWFLSA-N 429.496 2.266 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286620123 GDOKRPFYXRSBQH-FQEVSTJZSA-N 449.342 2.330 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286702435 RIVMWVPJDPGAGB-UHFFFAOYSA-N 432.532 2.051 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286711894 QQJKSRMGIQAMOX-QLFBSQMISA-N 436.500 2.408 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1286767895 JUCAHVBRJHIONA-QFIPXVFZSA-N 440.504 2.038 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C)C1 1286781257 PXZPKSIIOWPQQE-MRXNPFEDSA-N 428.562 2.391 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1288268696 PQAYNHFTTUNJDN-BWTSREIZSA-N 428.562 2.379 30 10 IEEE N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2n1CCOC2 1289684195 SFEHBQPQEZDDNA-LLVKDONJSA-N 430.262 2.039 30 10 IEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc2=O)n1 1290676728 ZJLKGVIKGAWYMV-OAHLLOKOSA-N 427.262 2.330 30 10 IEEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(CS(C)(=O)=O)CC1 1293149480 CSRLHJQTQKXBMJ-SFHVURJKSA-N 429.546 2.115 30 10 IEEE CC1=C(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)[C@@H](C)n2nnnc2N1C 1297321686 HECQLQSVMPMEOP-RHSMWYFYSA-N 426.912 2.020 30 10 IEEE CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1297536484 WHZXTGSKOAPURO-AWEZNQCLSA-N 425.482 2.206 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C(C)C 1300285162 XKMXYMMHMHMXRA-KKSFZXQISA-N 433.578 2.060 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1300364675 LSAJXIMYUKXJRG-HXUWFJFHSA-N 442.608 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC(C)C 1300443525 JEDRIEYCWKRKNP-UHFFFAOYSA-N 446.396 2.166 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1300458568 JQSXHDCKSDNSAS-KRWDZBQOSA-N 428.541 2.144 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([S@@](C)=O)CC1 1300649544 MZQRTXGYDLYSLC-WJOKGBTCSA-N 443.573 2.144 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCNS(=O)(=O)CC 1300813401 IPQAHJFBGCLQPO-OAQYLSRUSA-N 431.562 2.097 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC[C@H]1C 1300840776 WUSAPRWPBBVFHI-UMSONDCASA-N 441.532 2.130 30 10 IEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1301180504 AFOLEWHZAFLCTK-UHFFFAOYSA-N 426.542 2.308 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1301350149 WTJKBDTUQDNZKE-LJQANCHMSA-N 445.589 2.145 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)c1 1301957396 CYNWMNWEVGOUBI-UHFFFAOYSA-N 449.960 2.468 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 1302921513 IBVSFVAQRALFQW-HXUWFJFHSA-N 429.567 2.132 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@](C)(CO)Cc3ccc(OC)c(OC)c3)cc2C1=O 1303361749 NZQVARQQCPRQBS-DEOSSOPVSA-N 438.480 2.209 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1303639422 FCABJTOXJMVSLE-WMLDXEAASA-N 431.518 2.106 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@@H](C)C1 1305792610 UEHFAGRZOOFKGB-UYAOXDASSA-N 445.612 2.437 30 10 IEEE C#CCOCCNC(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1312366432 NHKXQBVUMQVEAA-UHFFFAOYSA-N 426.514 2.051 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC2(C#N)CCCCC2)C1 1313027817 XOESPZPIMAVAHG-MRXNPFEDSA-N 442.582 2.184 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1313921038 OCYQLXIRKGPJHI-KNKQGSTJSA-N 437.592 2.050 30 10 IEEE CO[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)C(F)(F)F 1315183917 IHOQTEPZCLXGDG-KGLIPLIRSA-N 449.499 2.278 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358944023 DYVATLCWYKBTRF-LJQANCHMSA-N 427.516 2.387 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1358965455 VLHIOTJEBRTDQL-SFHVURJKSA-N 448.564 2.186 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358967113 DQGVSLSJIVATIP-MOPGFXCFSA-N 446.573 2.217 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1358992163 CBUWOOISLVOPMG-QZTJIDSGSA-N 442.564 2.241 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1 1359000510 XLNNPBIEHNSZOI-OAQYLSRUSA-N 431.924 2.127 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359043285 OQQBZBYWSHHPCR-ROUUACIJSA-N 438.576 2.453 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCCC2)C1 1359049401 ODEYJPNITSEHRX-MRXNPFEDSA-N 425.624 2.415 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1359189447 LDEMVSSTXWXOIF-QGZVFWFLSA-N 437.566 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359297532 TURSBTBQNRFAST-MRXNPFEDSA-N 443.895 2.170 30 10 IEEE C=CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359346167 CPSSPTJUWMYPPJ-NRFANRHFSA-N 437.610 2.343 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)OCC 1438405806 YGOBALBIPYOIJI-DOTOQJQBSA-N 428.938 2.278 30 10 IEEE CCOc1ccc(NC(=O)c2nc(O)c(C#N)cc2C)cc1S(=O)(=O)N1CCCC1 1440366177 CBQHIFPJANTVHP-UHFFFAOYSA-N 430.486 2.403 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](O)c2cc(OC)ccc2OC)c1 1455527699 HNKWXWNYEWHTSN-JLTOFOAXSA-N 434.514 2.020 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C(=O)OC 1464252476 AVZBCRAJSMZLDP-CQSZACIVSA-N 445.335 2.144 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br)C(=O)OC 1464254610 IMSZVUURRYPUSJ-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)n1 1467716745 QGEAPEODIQXUNP-UHFFFAOYSA-N 444.536 2.470 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)coc2C)CC1=O 1504913813 NAOZAGQDOHWTIP-UHFFFAOYSA-N 434.500 2.370 30 10 IEEE N#CC1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1505320511 LHMVVELYTLGYLV-SFHVURJKSA-N 431.491 2.436 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1507519358 RIJALJMYIVYVEJ-XLNZFTOWSA-N 437.544 2.441 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1507604529 KPNXGXJJNSUEBM-CYFREDJKSA-N 437.544 2.441 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507636136 ZIISLLPKLVVXBG-SFHVURJKSA-N 432.521 2.053 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(SC)CCN(C)CC1 1507637356 PAPCJHPZBKCVCJ-UHFFFAOYSA-N 430.622 2.097 30 10 IEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCOC1 1507677079 UAWGDLRQCMHFHC-JOCHJYFZSA-N 426.542 2.193 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2COCCO2)CC1 1507718651 FORDVLANTYTYKM-FXAWDEMLSA-N 445.951 2.242 30 10 IEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1507865780 HLQLLWREZMCJGS-UHFFFAOYSA-N 443.939 2.153 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507929868 VKRKXPDVFSGSND-IBGZPJMESA-N 429.569 2.491 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507930616 GTBAVVFIEWNEPX-MRXNPFEDSA-N 445.593 2.261 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507966797 CHIRHEIINFGBEC-LJQANCHMSA-N 439.560 2.398 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1508148414 HFJUCACLLJPHMI-PKOBYXMFSA-N 434.562 2.382 30 10 IEEE C[C@H](Sc1nc(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cs1)C(N)=O 1519793626 HMLGQWXCADHUMH-YGONEPDPSA-N 445.570 2.425 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C1 1521063174 OFYLPLDAINRNAM-NRFANRHFSA-N 426.427 2.359 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2COCCO2)CCO1 1521121327 JSLWEFBWJJESLL-SJORKVTESA-N 448.321 2.242 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)cc1 1530557686 XCJWYWWSIZINFW-MOPGFXCFSA-N 444.532 2.499 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)CCCC2)cc1 1531540374 PFBCCAXQLJCICZ-UHFFFAOYSA-N 428.514 2.032 30 10 IEEE COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1534363416 ZXXPTAVIGRBAMZ-UHFFFAOYSA-N 441.465 2.150 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1538973470 MUFOYWIMBFZKNZ-GFCCVEGCSA-N 429.326 2.090 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539224457 HITKYLZDYFLXGU-WDSOQIARSA-N 448.614 2.230 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539636955 NHNGHCMFLRZFMQ-WPYKKVEZSA-N 440.592 2.402 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1539742537 FOTBIXOZAOLWKF-GOSISDBHSA-N 430.553 2.293 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1539744125 CSRLCWJKYTXXLT-QGZVFWFLSA-N 445.593 2.222 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1539830117 NPZURKAGXZLCAR-UHFFFAOYSA-N 438.532 2.109 30 10 IEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1539982206 RKTTYNJJOHJBQD-SFHVURJKSA-N 443.548 2.458 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1540886219 YHQBYVXVHPZAHF-IEBWSBKVSA-N 427.530 2.033 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540913644 PVLLBJKJBUSJLD-UHFFFAOYSA-N 427.578 2.493 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)c(N(C)C)cc2C#N)C1=O 1545066174 LMNKQPNHPAIYIN-QHCPKHFHSA-N 435.484 2.347 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1547552673 KDXDOEDKQKQUCH-ZBBYCGENSA-N 430.553 2.398 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1nccnc1C 1555748278 VFZHFVDRGDAEIL-LQBOVUBWSA-N 425.537 2.473 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 1566162907 CPFFXIPUYFRJQG-KRWDZBQOSA-N 435.546 2.181 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 1568181042 DIZDIWMYGWVRGH-UWJYYQICSA-N 429.473 2.152 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(c3ccccc3C#N)CC2)s1 1584797899 QGCAENGPTHEZNU-UHFFFAOYSA-N 444.582 2.365 30 10 IEEE CN1CCC(C#N)(NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1584987299 ZKZSLCZEOMMJMO-GOSISDBHSA-N 441.532 2.182 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CC1(C#N)CCOCC1 1586900909 NIEWYGZSOKBKNR-ZFWWWQNUSA-N 447.454 2.077 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1587818428 WIBDKSMOMFINKP-MRXNPFEDSA-N 441.532 2.441 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588049809 LMHRLTUNNIQBPD-ZDUSSCGKSA-N 429.468 2.488 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2CC2)c1 1588181409 SYVFYPXPJXEZLS-KRWDZBQOSA-N 425.558 2.277 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCc2ccccc21 1588186382 XMDBWCTZFOCYEN-JWQCQUIFSA-N 434.540 2.227 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1588228304 DFSPIUYWXFXTOR-ZEQRLZLVSA-N 447.583 2.250 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1588314406 DIHDMCMAMGVFNA-UHFFFAOYSA-N 435.532 2.003 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1 1588974818 CCHUGPBYSLIUMO-UHFFFAOYSA-N 447.992 2.437 30 10 IEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C#N 1596849542 HORXBPBBDUUGFM-BRWVUGGUSA-N 440.614 2.120 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1611319099 BNWXFAONQVQZPQ-AZUAARDMSA-N 437.548 2.217 30 10 IEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)COCCO1 1611802033 XMSLAZGCSZWDHS-LPHOPBHVSA-N 437.422 2.390 30 10 IEEE CCN(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)c1ccco1 1615372528 DSZSFRZXHXSVKO-OKZBNKHCSA-N 448.593 2.452 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1 1618653549 FXNNOYQGFKXJNZ-MOPGFXCFSA-N 438.532 2.118 30 10 IEEE N#C[C@H]1CN(C(=O)c2cc(Br)cn3ncnc23)CCN1Cc1ccccc1 1627792801 YCRPBGFCPAEMSL-INIZCTEOSA-N 425.290 2.342 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 1630695692 WWSODYFTSLAALY-QGZVFWFLSA-N 443.573 2.474 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@H]1Cc3cc(Br)cnc3NC1=O)C2 1637886282 QPTUPDOLAVBBDA-CVEARBPZSA-N 426.274 2.046 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)s1 1638505159 CVRBBUKBZWCQAB-LJQANCHMSA-N 428.576 2.335 30 10 IEEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1638698966 HIGQCEXRPGNIPE-HNNXBMFYSA-N 427.530 2.398 30 10 IEEE C=CCOC[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC 1639558303 GLPABXMCTVEAAI-HXUWFJFHSA-N 431.510 2.443 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1 1640023458 KABHEDRWUPZNJP-ROUUACIJSA-N 425.510 2.438 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]([C@H]3CCCO3)C3(CO)CCC3)CC2=O)cc1Cl 1640107780 FAGQLOHZUZNUMQ-ZTNFWEORSA-N 431.920 2.391 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)F 1641221492 JAYYUKDLCCWCMC-AWEZNQCLSA-N 449.451 2.401 30 10 IEEE Cc1nc(=NC(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)n(-c2ccc(C#N)cc2)[nH]1 1641300672 OTYPPMQPHZVXRP-IBGZPJMESA-N 447.499 2.339 30 10 IEEE N#Cc1cn(CC(=O)Nc2ncc(-c3ccc(Br)cc3)s2)c(=O)nc1O 1641782635 AIHCTPVVTFVRCI-UHFFFAOYSA-N 432.259 2.345 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1)c1cc[nH]n1 1642299947 PVQHRSUPZTZVDV-MJGOQNOKSA-N 436.896 2.221 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1Br 1662498442 BUPMBPMFKOAFCQ-CQSZACIVSA-N 444.307 2.383 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2cc(C(N)=O)ccc2Br)c1 1662904112 WNBUHGDGBZUQCI-UHFFFAOYSA-N 439.287 2.232 30 10 IEEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1680495741 ZRLAFDHUUXHZAB-APWZRJJASA-N 431.500 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 1681824536 FJSNUKSSYASOTJ-LJQANCHMSA-N 429.521 2.026 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C1CCC1 1689835585 PFSBCALZXJOMHN-INIZCTEOSA-N 443.573 2.113 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1689994031 PQEGQWOYDSWBDI-KRWDZBQOSA-N 427.555 2.000 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@H](C)c1ccccc1 1690019361 GOMIOBAEGPOKDT-CTNGQTDRSA-N 440.569 2.421 30 10 IEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690315690 JUVTZXLXVRKHLC-UHFFFAOYSA-N 447.967 2.410 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690419446 SBJNYVJJGKSDIB-INIZCTEOSA-N 425.599 2.422 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCC)C1 1690688381 UMOVQRUVRAKYLF-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1690690149 SAHLTSSJEPBZQK-MRXNPFEDSA-N 434.422 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690715480 MMJBVUPKADGSRB-KRWDZBQOSA-N 441.598 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690719045 GFEUYKCBCIULPJ-ZWKOTPCHSA-N 447.605 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1690723859 CDCLWFDUIDKAOK-IEBWSBKVSA-N 448.593 2.368 30 10 IEEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1694904126 HUMPBSAZXFFZLN-QGZVFWFLSA-N 438.532 2.247 30 10 IEEE CN(Cc1cnccn1)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1696714020 QBUGXXBIAHDIQN-VZCXRCSSSA-N 448.462 2.037 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697203095 OSRUXOZYMPPIES-YKNSSVCLSA-N 428.537 2.467 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1705558044 IFXFPINYILWIFD-PWHSHALESA-N 447.649 2.474 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705569928 LJVMJNOVMRIHPC-LEWJYISDSA-N 444.601 2.361 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705665135 KRXBHQDTDWLOGI-YWTNHNAXSA-N 431.606 2.278 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705729046 JDONLMKUDCRHPV-ZWKOTPCHSA-N 426.521 2.381 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705812383 YHRGSKJFFIJCSX-FOIQADDNSA-N 437.541 2.092 30 10 IEEE C=CCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893871 SZPLCVDHKDOLMA-OWCLPIDISA-N 439.582 2.248 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCCCC1 1705930088 DZCMVQNOBPSWHG-UHFFFAOYSA-N 432.550 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](SCC)C1 1705931996 HOTCMGSIRQPSBE-MRXNPFEDSA-N 436.607 2.448 30 10 IEEE CC(C)(C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706105172 ACUWTLYZGUARRQ-FTHOYRMOSA-N 442.564 2.355 30 10 IEEE Cc1ncsc1CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1707005280 HXMPRHCCAZZYIY-CQSZACIVSA-N 443.558 2.006 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCOCCS(C)(=O)=O 1722347819 MNWKBNRPJGPBKV-UHFFFAOYSA-N 431.345 2.383 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N1CCOCC1 1722407800 RZNBJDXJODAEBR-UHFFFAOYSA-N 441.532 2.059 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(F)cc(OC)c1 1722446627 FZJKSLNWHCYQLT-UHFFFAOYSA-N 441.463 2.288 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722528492 HMJFZDJIHXMCRE-IBGZPJMESA-N 449.353 2.487 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722691348 SRQVXNHCUIAVFU-VQIMIIECSA-N 445.568 2.234 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1722697068 FJORPHGTNCVNLG-UHFFFAOYSA-N 432.532 2.417 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NC(C)C)C1 1722718718 UYCOIJBXFXEEDE-QGZVFWFLSA-N 429.521 2.268 30 10 IEEE CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1728658888 CCCGDKPICPZEDL-IBGZPJMESA-N 436.541 2.457 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCCCCCO)c1 1731179965 ZZYCXPPMXWYMJE-UHFFFAOYSA-N 437.548 2.363 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCOCC(F)F)CC2)c1 1731185072 PGMFTQRHHYPANC-KRWDZBQOSA-N 447.490 2.047 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCCS(C)(=O)=O 1740603164 IONBIPYPHTVVSH-OAHLLOKOSA-N 436.603 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)cc1 1740657412 RXFFYMSGTMYEAU-FQEVSTJZSA-N 440.569 2.480 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740714716 INHZGFKWMYKKNJ-UHFFFAOYSA-N 427.578 2.337 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740759505 JRLJCMPTDWILMK-UFGBVDADSA-N 427.549 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740760728 KQKMRAPLZBJBCF-SCTDSRPQSA-N 439.626 2.366 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740864304 HSNSYPQGYHWCCR-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740961239 QEYSBPYAHHWNEV-AOMKIAJQSA-N 445.951 2.209 30 10 IEEE COC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1748361611 BXHFOINPKPQNEI-QRVBRYPASA-N 443.573 2.349 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748647889 UPSOQPUKKJQVHU-UUOWRZLLSA-N 439.560 2.333 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1748771213 IZJRFHGKWWLQEQ-VQTJNVASSA-N 438.450 2.450 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748805424 ROQCVTDOGXOLNB-PKOBYXMFSA-N 443.573 2.447 30 10 IEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)no1 1748935874 DEDSSHGJRZCFGQ-UHFFFAOYSA-N 433.560 2.447 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(-n2ccnc2)c(F)c1 1748959431 SYDHEYFTTAYMQO-UHFFFAOYSA-N 432.463 2.194 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC=C)CC1 1749020468 ULORYSOCZNWJQG-HDICACEKSA-N 442.564 2.201 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749402011 HUTVARQOBQGUBK-UXHICEINSA-N 430.597 2.271 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1749599546 GVWINCLBTNOQMH-RXVVDRJESA-N 443.548 2.150 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)Cc1ncnn1CC(F)F 1749664613 UFYXJFUVPFBTKJ-UHFFFAOYSA-N 430.463 2.049 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2CCOC2)CC1 1749737055 WSISTFNOYXBSTF-FQEVSTJZSA-N 445.589 2.118 30 10 IEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1750116332 DBKSLTHMYOBRMO-KRWDZBQOSA-N 446.939 2.402 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1nc(C)cc1C 1750140249 ZMXWTMMADIDTJQ-BBTUJRGHSA-N 431.516 2.348 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1760154559 GHTHIVIVWJKFJH-LJQANCHMSA-N 449.621 2.069 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1760165015 GZSGTRKEEYJYRN-HSZRJFAPSA-N 441.532 2.001 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(N(C)C)CCSC1 1760165894 JXQQPYIYZZWRGI-JOCHJYFZSA-N 445.589 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1760203983 YAGMJGDKFSMMON-INIZCTEOSA-N 432.496 2.045 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(C)COCCO2)CC1 1760263701 LULSVNFMRMURLO-HSZRJFAPSA-N 441.601 2.440 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COC)C1 1760312537 AAVHHGUMQJOSRH-SCTDSRPQSA-N 426.521 2.379 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760332747 AQAHDEVQSZIWCP-APWZRJJASA-N 448.593 2.163 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc([C@@H](C)OC)n2)CC1 1760381819 BCJMQBWOLKLXIK-UONOGXRCSA-N 440.595 2.257 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1760384661 BUQIWJNJSBTYQV-UHFFFAOYSA-N 437.504 2.272 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760385530 VVWYWUDXMFDGFY-SFHVURJKSA-N 426.546 2.255 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1760529572 BFUMORVQFLJUJW-MSOLQXFVSA-N 433.459 2.288 30 10 IEEE C[C@H]1C[C@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1762734651 HUZSAXRJHXNQLJ-DLBZAZTESA-N 429.546 2.257 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCOCC1 1763654621 IVGQFWGJMDKMHS-HOTGVXAUSA-N 425.537 2.047 30 10 IEEE CN(C)CCOc1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1768512557 JYVJQVGYYUAXSO-NHCUHLMSSA-N 440.548 2.041 30 10 IEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccc(C(F)F)n2)CC1 1770740269 BUXZFTXADNJMGU-UHFFFAOYSA-N 439.430 2.441 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCc2ccco2)CCO1 1770748353 ODMWAJFWNLHUIU-OAHLLOKOSA-N 444.854 2.376 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1771530370 JHMCTSCDAFARRV-RVKKMQEKSA-N 446.449 2.225 30 10 IEEE COCc1c(C(=O)NCC2CCN(c3ncccc3C#N)CC2)nnn1-c1ccccc1F 1850898543 KHJCMHRCYIHTTC-UHFFFAOYSA-N 449.490 2.466 30 10 IEEE C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1851043725 YKNZZMNMMXLFCY-SFHVURJKSA-N 443.491 2.026 30 10 IEEE O=C(CCc1nc(Cc2ccccc2)no1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851832084 HKONNJYGUPNPDH-UHFFFAOYSA-N 430.408 2.464 30 10 IEEE N#Cc1cnc(C(=O)N2C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc32)c(Cl)c1 1852018318 PPKNBZNBKNCENS-HNNXBMFYSA-N 430.873 2.337 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCC[C@H]3C(=O)N3CCc4ccccc4C3)cnc2c1C#N 1852661432 LMRGDFSQXPVOAZ-NRFANRHFSA-N 428.496 2.407 30 10 IEEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)cc1F 1852897309 HJNVBGLSQKUUPL-UHFFFAOYSA-N 449.490 2.269 30 10 IEEE NC(=NOCCC(=O)N1CCN(Cc2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 1853584633 RGRURQMEHTZTGP-UHFFFAOYSA-N 435.450 2.472 30 10 IEEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)ccn1 1853652375 ADLVCCUTBQBWCG-CQSZACIVSA-N 427.360 2.134 30 10 IEEE C=C1CCCN([C@H]2CCCN(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2=O)CC1 1855163907 WQTBYMRAPKQKFA-MSOLQXFVSA-N 430.574 2.457 30 10 IEEE CCOc1ccccc1C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1855986751 DAUUMDVSFGWRDP-UHFFFAOYSA-N 427.482 2.349 30 10 IEEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)N2CCN(c3ccccn3)CC2)CC1 1860616583 HYKBDZDJRLYCPO-QHCPKHFHSA-N 436.556 2.479 30 10 IEEE COc1ccc(CCN2C(=O)c3ccc(C(=O)N(CCC#N)[C@@H](C)C(=O)O)cc3C2=O)cc1 1866304420 KGRDXCPQLJSKOL-HNNXBMFYSA-N 449.463 2.363 30 10 IEEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870559607 JCHDHXHTNAVTFP-UHFFFAOYSA-N 438.524 2.451 30 10 IEEE NC(=O)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(O)cc1O 1874267400 VYSDZLCLHNNNCY-ODCIPOBUSA-N 433.877 2.381 30 10 IEEE CCOc1cc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCC(N)=O)ccc1O 1874349950 MXVSQJGFLFWAHR-FSJBWODESA-N 441.513 2.441 30 10 IEEE CCCNC(=O)CSc1nncn1/N=C/c1cc(Br)c(O)c(OC)c1 1874538266 VVGXJDIINHUOPO-FBCYGCLPSA-N 428.312 2.255 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)CC1 1889528178 LEJNSBCPTNFUIR-UHFFFAOYSA-N 438.572 2.439 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1891496192 JJMUZUOSBIYSNJ-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3SCC(=O)N(C4CC4)[C@H]3c3cccnc3)CC2)cc1 1892118228 VHXCVQROHAHQGT-GOTSBHOMSA-N 447.564 2.450 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1962843159 KMIATITZPDAZLE-WOJBJXKFSA-N 428.533 2.249 30 10 IEEE C=CCC1(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2010226931 HWLCNVPRLHQLAW-HOTGVXAUSA-N 439.553 2.144 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 2010247494 TWKCZHZZXZMKRJ-FQEVSTJZSA-N 429.561 2.436 30 10 IEEE CC(C)(C#CC(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 2023919697 YPPPTDMUJBBWFH-HSZRJFAPSA-N 429.517 2.139 30 10 IEEE C#CCN(CC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O)C(=O)OC(C)(C)C 2237395421 HNXCJBAGODVLSA-HNNXBMFYSA-N 439.306 2.431 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247963207 VEWYZYUCAYAXFT-ARFHVFGLSA-N 442.387 2.491 30 10 IEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254807102 WIWCMIMPQNQPGE-KRWDZBQOSA-N 433.358 2.453 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C 2255621231 JRCAFUJLSHWISY-CQSZACIVSA-N 436.362 2.093 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255815488 OIIKIIJNHXYVGA-DGCLKSJQSA-N 430.232 2.108 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](COCc3ccccc3)C2)n1 2255821492 ZDESLZVIVUMBKG-SFHVURJKSA-N 425.338 2.398 30 10 IEEE Cc1cc(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2256678432 NISNEKJAAKTVHV-HNNXBMFYSA-N 434.342 2.366 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267499535 VFYOJPKJBZQCCL-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517048 MTUDWYPEHAQFSW-CABCVRRESA-N 448.373 2.332 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267549092 JVDAHOSFUNNAJY-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267882040 NHZDZEBBMODTOY-CABCVRRESA-N 446.357 2.151 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268632236 HVMVCWWWXKWRTN-YJBOKZPZSA-N 448.369 2.218 30 10 IEEE Cc1nc(NC(=O)[C@]23C[C@H](CN2C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268710483 OEQXQYGGVNJWIJ-XLOAEROZSA-N 444.341 2.422 30 10 IEEE C[C@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268721410 KVOITHWXSMJZRY-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE CN(C)c1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327904381 LUCDNCUZGKYCSG-INIZCTEOSA-N 430.578 2.425 30 10 IEEE COc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)NC1CCCCC1 2330770310 PXJKLUREZQQHAD-UHFFFAOYSA-N 444.561 2.346 30 10 IEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H](C)CN1Cc1ccccc1 2337189723 FDACEJXCHICTFI-ZWKOTPCHSA-N 438.381 2.454 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)n1C 2337397977 JKSZXLRKSLOXNN-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@@H]21 2343885342 UVYOXWGBJFVSGA-XHSDSOJGSA-N 444.341 2.360 30 10 IEEE O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#Cc1ccc(N2CCOC2=O)cc1 96349996 VBYKGRGWUAWQFF-UHFFFAOYSA-N 431.448 2.187 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1c(C#N)cnn1-c1ccccn1 170550892 IHQNJYYIEWXFSE-UHFFFAOYSA-N 438.469 2.075 30 10 IEEE CC(=O)Nc1ccc(C(C)=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 254308003 KTKNVVZILBGRJE-UHFFFAOYSA-N 438.536 2.493 30 10 IEEE Cc1c(C#N)cccc1NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 431752484 HVCUVDGLHOULIC-UHFFFAOYSA-N 429.458 2.313 30 10 IEEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460938393 QANNUGPNZJUNAV-LJQANCHMSA-N 431.562 2.296 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1n[nH]c2ccc(Br)cc12 465188037 SJMRYJZSYGCKSP-LLVKDONJSA-N 426.278 2.338 30 10 IEEE CCOc1cc(NC2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)ncn1 466912769 NMRQEOACXUFIKY-UHFFFAOYSA-N 433.476 2.436 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1 467826444 WGYSCCDVQVJFGD-JXFKEZNVSA-N 427.526 2.070 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)c(C#N)c2N)cc1 479684788 BGJXUBWSABBWKI-AVRDEDQJSA-N 438.557 2.137 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 481940348 DSDSGOFHZIDGMD-UHFFFAOYSA-N 428.439 2.471 30 10 IEEE N#CC1(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CCN(Cc2ccccc2)CC1 482695450 QPFPVSISBIQPAY-SVFBPWRDSA-N 441.601 2.387 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCOc2ccc(Cl)cc2Br)CC1 492336908 UHMCOLCELUISAW-UHFFFAOYSA-N 444.757 2.318 30 10 IEEE N#C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1)C1CC1 505927739 CFCDNIUJQYZLHE-RYUDHWBXSA-N 432.365 2.472 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 508653189 KAVZLOMKVCDBEU-LEWJYISDSA-N 431.496 2.326 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 509001134 VTKPLAPSWTZBNB-XXBNENTESA-N 439.564 2.412 30 10 IEEE COC(=O)c1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)no1 539447268 YNVWYHHSDPIMSQ-OAHLLOKOSA-N 433.262 2.246 30 10 IEEE Cc1nc(SCC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)c(C#N)c(C)c1C 541229775 RHGSIDRJRBIPSZ-QGZVFWFLSA-N 426.546 2.012 30 10 IEEE N#CCCn1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 578780068 YJSDXYZBMWYAHS-OAQYLSRUSA-N 425.445 2.394 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)no2)CC1 583335007 VIGRVJZQNGYZMR-UHFFFAOYSA-N 434.504 2.319 30 10 IEEE COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586854580 NEYIAINDCAGTKW-MRXNPFEDSA-N 430.867 2.371 30 10 IEEE CN(C)Cc1cc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 609664348 UIYBOEIXWDPWAQ-FQEVSTJZSA-N 437.475 2.280 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c(F)c1 609944224 KOECGXYFXVPKCW-SFHVURJKSA-N 439.447 2.253 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 611243651 ZGNBPBTWKPZKHO-QGZVFWFLSA-N 442.379 2.467 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCCC[C@H]3C)nnc12 642592542 VKOKEGCXTZPHRC-MRXNPFEDSA-N 440.573 2.313 30 10 IEEE O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1c(C(F)(F)F)nn(CCO)c1C(F)F 676299683 OXIAGGWGNCQWMS-QMMMGPOBSA-N 438.319 2.446 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 729183543 HYJZOKCYOOSABH-QGZVFWFLSA-N 449.941 2.373 30 10 IEEE CC(C)(C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 732647654 HKMXPNZWJLYJDR-HNNXBMFYSA-N 440.363 2.200 30 10 IEEE Cc1nnc(Sc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c(C)c2)s1 737198833 PBWHURFVSSXUML-OAHLLOKOSA-N 442.570 2.443 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)CCN1C1CC1 737199290 UKDIARDQUMLTSV-KRWDZBQOSA-N 443.935 2.103 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)c2)s1 739749143 GMSZHRVGXYASDV-IBGZPJMESA-N 438.553 2.084 30 10 IEEE C=CCOc1ccc(C(=O)NS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1 747316500 WMIUGGPHBLNCOX-UHFFFAOYSA-N 428.470 2.078 30 10 IEEE C[C@@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)NC1(C#N)CCCCC1 750421956 SKFLULXDNFXZHD-GFCCVEGCSA-N 447.293 2.313 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCOC2)c1 752834935 IGFFGMFHELLPKH-QFBILLFUSA-N 438.532 2.175 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc3c(c2)CCC3)C1 760321146 RDEMHBJVDGQMCK-ZWKOTPCHSA-N 443.573 2.047 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780856879 ZSTYEIXTPWBHMS-NRFANRHFSA-N 427.526 2.248 30 10 IEEE FC(F)(F)c1cc(=NN=Cc2cn(Cc3cccnc3)nn2)nc(-c2ccncc2)[nH]1 783847406 ZYUUHLAYGCGHQY-UHFFFAOYSA-N 425.378 2.460 30 10 IEEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cncc3ccccc23)c1=O 794579324 VOQSHIKXMMPLQN-KRWDZBQOSA-N 431.517 2.143 30 10 IEEE COc1cccc(NC(=O)CN(C)C(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 803923393 MHSXKFODOZUQJZ-UHFFFAOYSA-N 439.443 2.378 30 10 IEEE C#CC[C@]1(C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)CCCN1C(=O)OC(C)(C)C 809671255 XGBWSYVTHNCHFT-GBXCKJPGSA-N 432.609 2.408 30 10 IEEE C=C(Br)CNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 810223590 NMJUMWDUTQKKLT-NMTFTXLRSA-N 441.325 2.491 30 10 IEEE C#C[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)c1ccc(Cl)cc1 812350761 AHCJRIFJHCBBSB-HNNXBMFYSA-N 425.876 2.135 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)n1 812972694 NBUDROGLOXVXLS-UHFFFAOYSA-N 438.488 2.032 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)n1 856713460 RUDZCPUAIFXVQH-HSZRJFAPSA-N 441.507 2.455 30 10 IEEE COc1cc(NS(=O)(=O)c2ccc(N=Cc3cccc(O)c3O)cc2)nc(OC)n1 1084107372 WDVMWMDDQVKCJT-UHFFFAOYSA-N 430.442 2.456 30 10 IEEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OCC 1132415198 KOSBNJIPSMBMGF-INIZCTEOSA-N 446.928 2.417 30 10 IEEE N#CC[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(F)(F)F 1134050469 ITPMCOZVUWOSMG-JTQLQIEISA-N 435.332 2.320 30 10 IEEE C#CCn1cc(CNC(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)cn1 1139860698 FXWGBZGPAIGARV-UHFFFAOYSA-N 429.864 2.486 30 10 IEEE CN1CCC[C@](O)(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 1144758689 LBBDPPWWNPEAGQ-QUCCMNQESA-N 435.366 2.005 30 10 IEEE C#CC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)CC1 1148405864 JLEJWFDDDRYVBC-FQEVSTJZSA-N 446.594 2.227 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(NCCn4ccnc4)cc3)C2=O)cc1 1156592128 OWVBYHJQCATKSJ-QFIPXVFZSA-N 428.496 2.398 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(OCC(F)(F)F)n2)c1 1156880497 NEKBJYZMRPMDTH-UHFFFAOYSA-N 431.367 2.389 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1162365355 PURPAAGYSWVATG-INIZCTEOSA-N 439.553 2.171 30 10 IEEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1164155024 JEIIYASGLMSUKJ-UHFFFAOYSA-N 430.505 2.048 30 10 IEEE C[C@H](NC(=O)CNC(=O)CNC1(c2cccc(C#N)c2)CCOCC1)c1ccc(F)cc1 1174663413 WNRRWYZRQFGYGE-KRWDZBQOSA-N 438.503 2.286 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1175917760 QCDOIDLZPRALDH-QWHCGFSZSA-N 429.468 2.455 30 10 IEEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1195464729 ZNZYJANDCSBZFL-INIZCTEOSA-N 441.956 2.047 30 10 IEEE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CC[C@](C)(C#N)C2)c(O)nc1=O 1196322339 NEWQBTLWOSBLJZ-HSZRJFAPSA-N 438.532 2.100 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn3c(n2)COCC3)cc1 1264724343 PYSNFEAQYCTEHI-PTGBLXJZSA-N 431.518 2.259 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1286348530 LCMQTNOVCWPYIB-KRWDZBQOSA-N 435.532 2.164 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286368130 WEXXNQRAVSOSHB-INIZCTEOSA-N 432.546 2.245 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286386652 FJOXIKOTTNTFKF-KRWDZBQOSA-N 443.504 2.096 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286443258 DCWDRLSGYGRSBL-XYJFISCASA-N 430.553 2.363 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCCC1 1286449871 JKNUJXSMSDVQCC-UHFFFAOYSA-N 449.602 2.087 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCCOC2)n1 1286471176 JLIRRLQHQTVVCD-LJQANCHMSA-N 437.548 2.193 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1286477152 PRRAVZGCWKSNKL-UHFFFAOYSA-N 447.543 2.336 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CC)CCCC2)CC1 1286495288 ZJUUMPALZAAEIH-UHFFFAOYSA-N 440.592 2.337 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286557280 UPBVACAUJQAQRE-MKXGPGLRSA-N 438.594 2.167 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286592649 OOFOFFRIDBRHIZ-XHSDSOJGSA-N 449.508 2.277 30 10 IEEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286682039 BBXRMPDDLBSRPW-UHFFFAOYSA-N 449.559 2.346 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CCn1cncn1 1286748052 STFVRUVKXUUCPG-UHFFFAOYSA-N 435.517 2.471 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1286773938 VYIZFPFDKDSHDO-GOSISDBHSA-N 445.589 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C1CC1 1286815579 XGNGMBGEFLHRAW-UHFFFAOYSA-N 428.356 2.246 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1291217823 IWXTWUVKCARAQB-BUWYAKEBSA-N 431.500 2.435 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)c1cc[nH]n1 1292425920 PZIGBGKCVYYQPZ-KRWDZBQOSA-N 432.452 2.040 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1298999970 FUEXTBWMUXJTBW-KRWDZBQOSA-N 440.548 2.364 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2cccs2)CC1 1300381460 SDXTUUBGHJEESI-HNNXBMFYSA-N 449.602 2.463 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300404267 WIMNSNJEWITWBH-UHFFFAOYSA-N 435.576 2.196 30 10 IEEE C#CCCCn1c(N2CCC(C(=O)NCCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300425579 VVILTGASLFVWDZ-QHCPKHFHSA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300487390 ITCVAJRPFAIZNO-SFHVURJKSA-N 439.516 2.349 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnc(C)s1 1300656705 AARUDRQLDXTVOL-UHFFFAOYSA-N 428.518 2.257 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)cc2)CC1 1300719614 IUXWNBRFMHKYCH-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1300898118 WHRMKNZYUKOWNL-FPOVZHCZSA-N 437.548 2.389 30 10 IEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301216092 BSHIHHDOXJYAIA-AWEZNQCLSA-N 428.518 2.183 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301236177 AHUIYNRJTOMRPU-INIZCTEOSA-N 444.502 2.180 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NC)CC1 1301246258 ONDOGRMYILHVGM-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1301391401 UGCDCAGGDSEWTB-QGZVFWFLSA-N 428.537 2.215 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1302274781 GNJDNBPLYDEAKM-QGZVFWFLSA-N 430.484 2.261 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCn3c(nnc3C(C)(C)C)C2)cc1 1310130778 FAPSCUJDHRQRRX-UHFFFAOYSA-N 432.550 2.430 30 10 IEEE N#Cc1csc(CNC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 1312312258 JDSYEQZFZIEGEQ-UHFFFAOYSA-N 434.421 2.186 30 10 IEEE CC(C)(C)n1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(O)nc1=O 1313275980 QDHYUJOBAFSCOC-UHFFFAOYSA-N 443.479 2.468 30 10 IEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CCC1 1313974627 FTNVDBJMWGDIRU-UHFFFAOYSA-N 432.532 2.456 30 10 IEEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1 1342261974 IDXKTDHSSUEEQX-SFHVURJKSA-N 437.518 2.107 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCCCO)c1 1358902067 DPOVISFGVNLWFT-IBGZPJMESA-N 425.533 2.391 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1358981623 QVQARWJLZOMQPN-LJQANCHMSA-N 446.555 2.050 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCNC(=O)C(C)(C)C)n1 1359027333 FQHFAOOMNWFAHO-UHFFFAOYSA-N 443.596 2.221 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)COC)CC1 1359047842 VMSZEQFZODTWMN-LJQANCHMSA-N 439.560 2.414 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359091207 KMOCQSJVDYFDGF-RVDAZCDBSA-N 447.580 2.231 30 10 IEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1359343810 CBWWQPMJUHAZCA-AWEZNQCLSA-N 434.516 2.280 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCc2ccccc21 1360680700 HJFUJMJAKPDPEU-DKICVRJWSA-N 432.525 2.060 30 10 IEEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1437641381 RFQUDHGYTWEUNN-NRFANRHFSA-N 429.546 2.159 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1456279277 SUQCEZJEPKKIFA-HKUYNNGSSA-N 437.334 2.480 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 1463830894 LHTXWULVUGILMV-SFHVURJKSA-N 430.379 2.432 30 10 IEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1464353237 ZKAOPUGMSWRLNV-UHFFFAOYSA-N 425.482 2.206 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCc4cc(C#N)ccc43)CS(=O)(=O)[C@@H]2C1 1468915411 KVIPKIIUDJGQOF-ZHALLVOQSA-N 445.541 2.118 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)CCS2(=O)=O 1469469756 BMTPITFLPXUVCA-BKVYSMKUSA-N 433.530 2.230 30 10 IEEE C#CCN(CC(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1)C(=O)OC(C)(C)C 1470034262 SJJVJYIXGDHAKM-UHFFFAOYSA-N 444.532 2.024 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 1503605416 LZIUFXZRACPCKZ-LJQANCHMSA-N 447.561 2.169 30 10 IEEE COC[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C#N 1504558794 CTCTUXAQDLXKLN-LSDHHAIUSA-N 433.582 2.425 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1504848823 BPGFDNWASOGKDK-NRFANRHFSA-N 430.578 2.249 30 10 IEEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1505014230 VIWQZIIAFXXZEF-UHFFFAOYSA-N 438.532 2.328 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1505045912 RSFAWOLEFAFGLI-FQEVSTJZSA-N 436.520 2.303 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CC1 1505325741 WVRXQAYADAXPTM-CQSZACIVSA-N 448.453 2.411 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507747665 JUQDUDVIGXGNGF-UHFFFAOYSA-N 433.541 2.064 30 10 IEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1507924161 JJRGHMJELUAHIZ-HSALFYBXSA-N 425.533 2.093 30 10 IEEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507958361 UWHHNRNQRURTKF-UHFFFAOYSA-N 446.983 2.401 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1508039129 YKGVDIKQNPTJOG-GOSISDBHSA-N 429.546 2.280 30 10 IEEE CC(C)(C)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508486040 IAJVXPJUMPVUGC-IJYGLTAASA-N 428.537 2.107 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C1CC1 1510018180 HOOOOGHNBBONSW-JXFKEZNVSA-N 442.589 2.313 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)[C@H]1C 1512584261 AFCIZKCCWCLZMK-HOTGVXAUSA-N 438.561 2.321 30 10 IEEE C[C@H](Sc1nc(CC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cs1)C(N)=O 1522168744 VZNYRJJPJVXRFA-LBPRGKRZSA-N 440.554 2.240 30 10 IEEE CC(=O)NCc1cccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 1534140811 PFBDPWYEIKODPC-GFMRDNFCSA-N 428.514 2.388 30 10 IEEE CCO[C@@H]1C[C@@](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)(C(=O)OC)C1(C)C 1538803466 RIPUPJSCKHHDBH-VTJXTGGHSA-N 425.526 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1538963752 GMVAMNAVHHGMFI-BTYIYWSLSA-N 431.924 2.125 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539140292 SJCYARMQXAWXPY-HXUWFJFHSA-N 439.560 2.438 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1539220400 RTEQWVWMWWCFHN-HXUWFJFHSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1539232421 BTFVAKNHQCWHNA-NRFANRHFSA-N 446.555 2.479 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCc1ccco1 1539232901 UCQWPMUOZBSBJI-UHFFFAOYSA-N 444.495 2.129 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCN(CC)CC1 1539249797 CVHZNDQJVIWJFV-UHFFFAOYSA-N 425.968 2.094 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H](O)C1 1539305177 SBAWDFLFRRHOSN-QUCCMNQESA-N 440.569 2.363 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1539340780 QZOMAURCIGQMDZ-UHFFFAOYSA-N 444.421 2.436 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1539430781 OCLYTZPNHNHQRD-PTUXOGIPSA-N 431.581 2.033 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2sccc2C)CC1 1539468734 HYPHIMYQJBIIGL-QGZVFWFLSA-N 445.589 2.386 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539510814 OAFIXXCVVRAKHH-OALUTQOASA-N 444.649 2.148 30 10 IEEE COc1ccc(NC(=O)c2c[nH]c3cccc(C#N)c23)cc1S(=O)(=O)N1CCOCC1 1540391442 XUMHFHFUEJETKN-UHFFFAOYSA-N 440.481 2.321 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540867732 FOBBWSCAKWOQIR-INIZCTEOSA-N 441.536 2.088 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1545864321 OLZOSNAOJZHELG-MRXNPFEDSA-N 429.569 2.241 30 10 IEEE CC[C@]1(C)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1546074968 DZDTVMJJLDFBCK-JRWGXLCNSA-N 435.532 2.417 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)C[C@H]1O 1554545428 MWWXYHCHTHGGNM-JBYIUTFZSA-N 441.557 2.463 30 10 IEEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1555470192 LFEQSGRVBKVSRA-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1555557641 YDZMHAPPNPCGLX-GCJKJVERSA-N 426.521 2.353 30 10 IEEE CS(=O)(=O)CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1555802512 KDCGQWNGMQXWKF-UHFFFAOYSA-N 447.561 2.170 30 10 IEEE C[C@@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1557978387 USSAWKQVHCHGBL-DNVCBOLYSA-N 434.512 2.210 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)C[C@H]1CS(=O)(=O)C2 1558511303 QIXKWLLWIVCFHP-DJJJIMSYSA-N 430.511 2.402 30 10 IEEE O=C(NCCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F 1559032731 GMTSCXZYSVDHCL-UHFFFAOYSA-N 445.422 2.379 30 10 IEEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CCCCC1 1560171380 SRTZLWLWBGVYTG-UHFFFAOYSA-N 431.602 2.452 30 10 IEEE C=CCC[C@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)OCC 1560836791 FLOSOTUEYSGLFO-FQEVSTJZSA-N 437.562 2.286 30 10 IEEE C#C[C@@H](NC(=O)c1cc(OC)c(OC)cc1I)C1CCOCC1 1587810478 RWVAGDPJPIITAG-CQSZACIVSA-N 429.254 2.467 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588154605 GDEKUAUWNVWXKK-LJQANCHMSA-N 435.528 2.487 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(F)cc(OC)c2)CC1 1588864508 DYCOJYFJRFFFFI-UHFFFAOYSA-N 437.523 2.091 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1594008987 CIALCUJQTMTFTB-UHFFFAOYSA-N 440.548 2.088 30 10 IEEE COC(=O)CCN(CC#N)C(=O)CCc1nc(-c2cc(Br)cs2)no1 1595583339 CNPDBFUBQASDBK-UHFFFAOYSA-N 427.280 2.408 30 10 IEEE CS(=O)(=O)c1ccc(OCCCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1596591112 YBKDTHKTVZOKPM-UHFFFAOYSA-N 427.526 2.470 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1625090491 MZRGTEXNBZEIHJ-MRXNPFEDSA-N 429.583 2.002 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 1630825936 YGWRQMRMEGLNOL-RTBURBONSA-N 428.533 2.382 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)/C=C/C(=O)c3ccc(C)cc3)CC2)cc1 1633063289 WCPFNRQKNSFTKP-VAWYXSNFSA-N 435.524 2.317 30 10 IEEE Cc1ccc(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 1633503214 KGVVHVWCDCFRCO-OAHLLOKOSA-N 440.271 2.435 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cc(C=O)c(-c4ccccc4)n3)C2=O)cc1 1634588856 RDOCLPNXOMUIJJ-OAQYLSRUSA-N 427.464 2.152 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)C(=O)/C=C/c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 1635243163 MWLPULQHECABTM-LGQSSRTCSA-N 447.484 2.406 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1636303030 ZOVGBJQYNKVIQK-LSDHHAIUSA-N 437.990 2.152 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1636626481 CEDWNRKZFWUCJS-WMZOPIPTSA-N 446.525 2.150 30 10 IEEE C#CC[C@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1)C(=O)OC 1637697064 MSXBMEUDEOUJKA-FQEVSTJZSA-N 440.463 2.231 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 1642077470 CLJCGFMKDFGSHX-UHFFFAOYSA-N 436.537 2.037 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1643888201 IUYNIXNIHIKJBW-IBGZPJMESA-N 427.526 2.468 30 10 IEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)nn1-c1cccc(C#N)c1 1643926851 NZZXDSTWCXFNRR-IEBWSBKVSA-N 425.489 2.153 30 10 IEEE COCC(=O)N[C@H](C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(C)C 1648125601 LKJXZHNDAGBSBM-KKZNHRDASA-N 440.331 2.403 30 10 IEEE CCN(CC)C(=O)N1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 1649035415 BUGPFSOZONUAMI-UHFFFAOYSA-N 430.505 2.064 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1654126976 AOKQSWTWKLGYPR-IEBWSBKVSA-N 444.532 2.178 30 10 IEEE C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](c1ccc(Br)cc1)c1nccn1C 1663225275 CROAQUCYDJPDQC-SWLSCSKDSA-N 426.340 2.340 30 10 IEEE C#CCC1(NS(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CCOCC1 1664297933 MRXUEZIVRWKRBR-UHFFFAOYSA-N 440.587 2.020 30 10 IEEE C#C[C@@H](C)NC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1674009557 JWYJZVVZSQWVLQ-IAGOWNOFSA-N 430.553 2.378 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1680115167 FFILVDHTTYCJBL-CVEARBPZSA-N 426.311 2.220 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC 1689839729 LFZDGUFBUKKVMT-INIZCTEOSA-N 429.488 2.221 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689993387 CBKBYNXVGPIQOR-FQEVSTJZSA-N 427.574 2.471 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689998201 FHLPXFRABHWWHK-AZUAARDMSA-N 444.557 2.144 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)CC=C 1690003534 PZDFYLNOKFSDCX-UHFFFAOYSA-N 433.537 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCCS(C)(=O)=O 1690054026 NLXVESVRYNUUDE-UHFFFAOYSA-N 428.558 2.372 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCCC1=O 1690074096 RFGSDYZXNWAEGO-UHFFFAOYSA-N 426.521 2.258 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CN2CCCCC2)CC1 1690142619 RNGYMQCMOZKVLI-HXUWFJFHSA-N 449.603 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@@H]2CC)CC1 1690150791 VOCMIIDXOVJZDG-ICSRJNTNSA-N 440.592 2.193 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1690603598 FKHUHKISAMNXOI-NRFANRHFSA-N 439.560 2.266 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690731626 OLLCRJMKXTZFCU-UHFFFAOYSA-N 449.625 2.063 30 10 IEEE Cc1noc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1693530531 DMGMAVYMKJVKBX-UHFFFAOYSA-N 448.531 2.268 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1693862044 CCGFEEVSPSYKBN-HNNXBMFYSA-N 426.546 2.197 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)c1=O 1695790390 FEJDAEAYLYQJOG-UHFFFAOYSA-N 445.527 2.138 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCOC)CCOC1 1696084721 GAFWZXZZJRDIKU-KNQAVFIVSA-N 427.505 2.026 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(C(F)(F)F)c1 1698171276 POYQQKGTVDNGFC-DZGCQCFKSA-N 440.426 2.193 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1705563583 AKANYOUTOQFFNB-KRWDZBQOSA-N 433.484 2.489 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)COCC)CC1 1705641120 REQCSYAPHIGZTQ-UHFFFAOYSA-N 435.576 2.335 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705753795 JMGKHZLVPTUASJ-BRWVUGGUSA-N 425.961 2.292 30 10 IEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705754776 FXDQMPGUYWTHAZ-BBRMVZONSA-N 426.926 2.412 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705810883 KLDRESFELJEYEY-LBPRGKRZSA-N 449.503 2.243 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCCNC(C)=O 1705863452 SRQRVAPQLGRRQO-UHFFFAOYSA-N 428.512 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(C)cs1 1705901112 AOUIMPVHTKZJKH-UHFFFAOYSA-N 428.518 2.314 30 10 IEEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1707895668 IPGQQWLNZBOOTB-RTWAWAEBSA-N 442.589 2.199 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CCO1 1708171151 DAMJBRGZTXCNTJ-CQSZACIVSA-N 427.486 2.087 30 10 IEEE COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)(C#N)CC1 1712393383 JIKYVLURCWHAMG-UHFFFAOYSA-N 431.566 2.405 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369693 DSOWFSJQLWLYDB-PMACEKPBSA-N 445.589 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2CCC)CC1 1722448124 SGKOFJJVUQYGBX-RTWAWAEBSA-N 442.608 2.012 30 10 IEEE C=C(C)Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722553064 BIOPLOSXJCRTBZ-HSZRJFAPSA-N 437.548 2.488 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(C)(=O)=O)CC1 1722576837 PYZLGJIWMJTVRJ-UHFFFAOYSA-N 426.546 2.445 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1722703705 FLGCYBIHJPFNRK-RDPSFJRHSA-N 439.560 2.301 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCCc2ccccc2)C1 1722714573 IHKMCXIPBRXJNA-HXUWFJFHSA-N 432.528 2.480 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1728360893 DUEJOAOIISREBQ-UHFFFAOYSA-N 425.537 2.171 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1730481495 PZZXHLVVFZKLOE-UGKGYDQZSA-N 439.495 2.287 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(C)cc(OC)c1 1740684321 NEBTYHFZNMGDQA-UHFFFAOYSA-N 437.500 2.457 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(F)(F)F)n2)CC1 1740698133 PDQCQJGITNOANX-UHFFFAOYSA-N 441.461 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)C1 1740751723 OFAADLFARYXQHN-PRXYFPRHSA-N 429.562 2.054 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740756329 GTIYKLREWBGZPJ-NEWSRXKRSA-N 443.552 2.375 30 10 IEEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740787199 CNUQEUXVTOTPLY-PMACEKPBSA-N 427.549 2.364 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740867756 UVNMWSHLYXOLPL-ZWKOTPCHSA-N 425.537 2.049 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740881100 XFXOJJFUWRZXQC-AWEZNQCLSA-N 440.426 2.286 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1740936843 LDSZQXVQXMZTTP-QGZVFWFLSA-N 442.520 2.107 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1741394097 VAECJEIKWHCISM-LJQANCHMSA-N 428.562 2.335 30 10 IEEE CCOCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1ccc(C#N)o1 1747022139 NXJGATXDAGPEEA-UHFFFAOYSA-N 438.536 2.125 30 10 IEEE CCOCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747333623 ZINLZRGYIOZGKZ-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748780342 TZCDJNXRSHOQSM-ZIFCJYIRSA-N 438.532 2.434 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C 1748846489 HKKWHPLKSJLSOW-PMACEKPBSA-N 425.558 2.088 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749189875 WVLSIMSJUGJMOS-KRWDZBQOSA-N 446.987 2.077 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749223647 WAJAIGZPBQUKCC-UHFFFAOYSA-N 433.516 2.489 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749434403 RHECNBHAKQDJMR-MRXNPFEDSA-N 429.525 2.451 30 10 IEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1749465728 HFWMYUGVCZMWFB-QHCPKHFHSA-N 427.549 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749730756 PJJPOUDIGXWYMK-OKILXGFUSA-N 426.493 2.063 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOCC2(CC2)C1 1749737176 YSDBAEDQQKFFQB-UHFFFAOYSA-N 446.573 2.095 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749738665 UIRJHKYNPQLIPE-ROUUACIJSA-N 448.589 2.286 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1751277890 QAKSMGGXYPZABL-DNVCBOLYSA-N 434.953 2.407 30 10 IEEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1752405953 UACGUGKKPHKLAG-WIWAJNDWSA-N 441.580 2.066 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCOC1 1760106100 YBHOBXGKDGFQJN-BFUOFWGJSA-N 435.322 2.326 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)[C@H](C)CC 1760110720 RRZAPXGLRNCXSN-XFQAVAEZSA-N 432.594 2.493 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187784 GPOHXSBLOCQZMI-XMTFNYHQSA-N 431.562 2.104 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1760206359 XPVRNKNCMJGVOA-PKTZIBPZSA-N 433.556 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC=CCO2)CC1 1760266982 CTZLIGQWSLEACX-SFHVURJKSA-N 440.935 2.304 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C)cc2OC)CC1 1760273175 KMIYOXAWXGTBBD-UHFFFAOYSA-N 425.533 2.146 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760359896 MVDHDFZGDWITDP-QGZVFWFLSA-N 429.525 2.069 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760431387 NVOWHYIJPNDIFL-MOPGFXCFSA-N 439.564 2.439 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1760505859 OIDDMXJQBKWZCQ-UYAOXDASSA-N 449.596 2.084 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC#N)CC1 1765559343 CWRUOVPKMBPBOJ-ICSRJNTNSA-N 441.628 2.152 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1767228661 HDNWORYOGKMTHA-UHFFFAOYSA-N 436.564 2.154 30 10 IEEE CCOCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1768073986 YZNLAGBBCPPECR-QFIPXVFZSA-N 439.495 2.451 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1769551403 GWRBRJMIRLNKRQ-SIKLNZKXSA-N 436.520 2.037 30 10 IEEE CO[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1770651954 RIHISCZYSJTUSG-PNBGARPFSA-N 442.564 2.398 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCOC(F)F)CC2)c1 1770740804 NWEIQHNXFOBDLD-KRWDZBQOSA-N 447.490 2.395 30 10 IEEE COCCn1cc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)cn1 1771124424 HMPHGLDBTBHGLX-KRWDZBQOSA-N 433.520 2.004 30 10 IEEE C=CCN(C(=O)c1cnn(-c2cc(-c3nc(C4CC4)no3)ccn2)c1C)[C@H]1CCN(C)C1=O 1850855906 FQQMZKOADGYSOH-SFHVURJKSA-N 447.499 2.362 30 10 IEEE Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 1852048370 VENQFHLRNAADMP-LJQANCHMSA-N 427.530 2.278 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)C1CN(C(=O)COc2ccccc2F)C1 1853084597 NYQUQOPHQSULQT-CYBMUJFWSA-N 445.882 2.297 30 10 IEEE Cc1noc(C)c1CN1CC[C@H](N(Cc2cn(Cc3ccccc3)nn2)C(=O)CC#N)C1 1853418777 BPEZZCQMBNEAJJ-NRFANRHFSA-N 433.516 2.448 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)ccc1F 1854599866 UUCYSBWIRYCTJI-UHFFFAOYSA-N 433.436 2.288 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cc2cc(C)on2)CC1 1855572975 QGYHZWLKMOGUJD-UHFFFAOYSA-N 429.498 2.372 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CN(C(=O)C3CCCC3)C(=O)O2)CC1 1856388155 PWWVBWUBXSFXIM-GOSISDBHSA-N 431.514 2.497 30 10 IEEE N#CCC1CCN([C@@H]2CCCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1857204911 WGDMWUNIBOQJQT-HXUWFJFHSA-N 431.558 2.384 30 10 IEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C)[nH]n2)C(=O)Nc2ccc(C#N)cc2)cc1 1866831537 RWORBDSCDGLGTQ-HXUWFJFHSA-N 431.452 2.495 30 10 IEEE C=CCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCN(c3ccccn3)CC2)n1 1871477645 LABVESYFAYNLKC-UHFFFAOYSA-N 445.531 2.315 30 10 IEEE Cc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)c(C)c1 1874327052 SXQKQTIQOSBTBX-LSFURLLWSA-N 427.486 2.345 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)CC1 1890381239 DDXZPYKNIRJSEC-UHFFFAOYSA-N 449.599 2.194 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H](O)C1 2044523663 XURFZNWEGKIPSG-IBGZPJMESA-N 432.370 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2052718556 YFPZUTMCKSSOOK-DOTOQJQBSA-N 436.358 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2080221985 UZVOVQRYEAQNDR-NHCUHLMSSA-N 442.560 2.497 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2124524063 NOONQNHEVFTGHV-HSZRJFAPSA-N 446.353 2.286 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@]4(CCOC4)C3)c(Br)c2)OC1(C)C 2172782550 SPTBFLOOUZBQDM-GOSISDBHSA-N 425.132 2.139 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2174778983 DKTFCHBGRWQOLU-IBGZPJMESA-N 429.498 2.183 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N[C@@H](CS)C(=O)O 2229107182 GTPGCIMOUQRFQP-OLZOCXBDSA-N 447.351 2.384 30 10 IEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)CONC(=O)OC(C)(C)C 2243676677 MBPIHDWQCWYDDK-UHFFFAOYSA-N 426.344 2.462 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2247835769 QEAKXDMFBKBXPS-UHFFFAOYSA-N 435.355 2.135 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248406260 WIHJEIGXSACPRT-ZDUSSCGKSA-N 443.350 2.311 30 10 IEEE C=C(CN(C)C(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248441846 OCPNRTRROSGLNL-MRXNPFEDSA-N 425.379 2.477 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630464 KUGIOAJUHUHFDQ-HDJSIYSDSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255947714 PQYKRGFCQQGMDB-XJKSGUPXSA-N 432.326 2.334 30 10 IEEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2266991077 AVBPIFSDTQXVCP-UHFFFAOYSA-N 449.361 2.259 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007751 AVRAYZZFKAISJB-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE Cn1ncc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2267007766 AZPBGDVZNDBNLX-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2267148088 WGHLLIZQJQWFNJ-JKSUJKDBSA-N 448.373 2.378 30 10 IEEE CN(C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1)C(=O)OC(C)(C)C 2267186681 NAXVKRITBXHWMX-HNNXBMFYSA-N 448.373 2.048 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267188936 SUSPPKGKELPZCC-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE Cc1cccc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267227993 XCCZALWLWRWQOA-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE Cc1cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267234175 RQTRZUWOPBPFTA-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CON(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267261813 XDWPVQOXDVFTQP-INIZCTEOSA-N 447.341 2.394 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267883023 ZNKADWZJRIOKFT-ROUUACIJSA-N 434.349 2.026 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268631168 URXVMCOXEHDTQO-QGZVFWFLSA-N 446.353 2.151 30 10 IEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268707508 WBOGAFKSDBUBNU-FVUUGDKNSA-N 447.341 2.392 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(O)c2)c1 2328631661 GALFPUVSWIGGKT-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE Cc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 9860536 XELXKGWYBRYUJB-VQTJNVASSA-N 443.594 2.386 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1C 110036125 NGSUQVYOVGDNHG-SADKCHQCSA-N 437.496 2.153 30 10 IEEE C=CCSCCNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 231937616 TTYGMJDUGRNXHE-UHFFFAOYSA-N 427.285 2.187 30 10 IEEE COc1cccc(N2C[C@@H](C(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)CC2=O)c1 238903981 RSGBEMKYAUXKNA-BQFCYCMXSA-N 435.484 2.216 30 10 IEEE CCOC(=O)c1cnc(N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)s1 409758829 AKJRPAQLMVUTKT-UHFFFAOYSA-N 436.497 2.340 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)cc2C1=O 426840360 NDHFAYQJQHIIPZ-OAQYLSRUSA-N 431.492 2.432 30 10 IEEE Cc1cc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)nn1-c1ccccc1 446199002 AHGJXXUNFLIQEC-UHFFFAOYSA-N 444.495 2.892 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C(=O)N1CCOCC1 489239692 YOXDAJUFJYJQAH-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE COC(=O)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)nn1 495038681 FGFKUJGMJBGGSM-UHFFFAOYSA-N 444.451 2.285 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(C)s1 503626662 JAMRAQVTENDNBN-GOSISDBHSA-N 429.564 2.021 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)c2ccccc2)CC1 508881404 QBYNZMQMTUWAPN-UHFFFAOYSA-N 427.530 2.353 30 10 IEEE COC(=O)C[C@H](NC(=O)c1cc(C#N)c(SC)nc1O)c1ccc(OC)cc1OC 509313355 IHBSUFOPQXCOMH-HNNXBMFYSA-N 431.470 2.432 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 518034093 CHFBGUYCNZWTMH-CYBMUJFWSA-N 429.498 2.355 30 10 IEEE C=CCNC(=O)CN1CCN(c2cc(C(=O)OC)nc3ccc(Br)cc23)CC1 525372555 YCNDPUNSGGRJFR-UHFFFAOYSA-N 447.333 2.208 30 10 IEEE COCCn1c(NC(=O)Cc2cccc(C#N)c2)c(NCc2ccccc2)c(O)nc1=O 530676458 UHAHNCVFLZMGKZ-UHFFFAOYSA-N 433.468 2.260 30 10 IEEE COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)CC2(C#N)CCCC2)cc1 545386059 BJMJZBMZXFVVFF-KRWDZBQOSA-N 426.560 2.098 30 10 IEEE CN(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 549458643 BWMTUKLOBATLJE-FQEVSTJZSA-N 438.532 2.212 30 10 IEEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 549671987 BDTXMDUFQDFEBP-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE CCc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)s1 586354666 ZXIVCRFWNVGARB-MUUNZHRXSA-N 437.572 2.238 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 727418323 QACBOGLPAWUNGK-UHFFFAOYSA-N 433.533 2.400 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671495 IZPNNBMYQMUFGB-UHFFFAOYSA-N 432.480 2.414 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732626510 DNLHVBLYKHZICZ-KRWDZBQOSA-N 435.619 2.395 30 10 IEEE C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 732878165 KYDNWWBKIKHUHN-BHQWEUPHSA-N 433.538 2.081 30 10 IEEE Cn1cnc2c1c(=O)n(CCCSCc1cc(Cl)ccc1OCC#N)c(=O)n2C 735319742 AIRFRSCUWNUIIT-UHFFFAOYSA-N 433.921 2.313 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)[C@]12CCCO2 758865966 AGDVGYORPUYGFL-WYADAEROSA-N 442.541 2.352 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)=NO1 764014053 FXIIUYRFVALHAO-HKUYNNGSSA-N 427.505 2.065 30 10 IEEE CCn1c(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc2cc(F)ccc21 767683043 ZDXKSAZFYBDXBB-CYBMUJFWSA-N 430.461 2.477 30 10 IEEE CS(=O)(=O)c1csc(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 767842739 WTGHDLGTOWJZRN-UHFFFAOYSA-N 445.440 2.495 30 10 IEEE C#CCN(C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774036294 MJNCRONQMFGCTR-SFHVURJKSA-N 446.550 2.315 30 10 IEEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(-c4ccccc4C)c3=O)n2)c1 781134686 RFMHXEBEUDYTNT-UHFFFAOYSA-N 438.516 2.432 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCn1nnc2c(cnn2-c2ccccc2)c1=O 781236104 BWAQUAGIIHZUIM-FQEVSTJZSA-N 444.451 2.453 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccc(F)cc3)c2=O)cn1 790113088 PLDURDRVHZORRE-UHFFFAOYSA-N 448.523 2.461 30 10 IEEE Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 790379956 VAQOCEVVSLREKI-KRWDZBQOSA-N 449.508 2.414 30 10 IEEE C=CC[C@]1(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CCCN1C(=O)OC(C)(C)C 790719439 VVHMYPBZWPPSOH-ITEAAPOESA-N 434.537 2.169 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2)CC1 812055776 BTILFGJJEUWEOA-UHFFFAOYSA-N 428.540 2.472 30 10 IEEE C#CCN(c1nnc(CCC2CCCCC2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812382461 IISXHRONHAHWEA-WOJBJXKFSA-N 434.606 2.454 30 10 IEEE CC(C)[C@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)N1CCN(c2ncccn2)CC1 914678824 VWYIKBUVURMPFU-XLIONFOSSA-N 437.500 2.032 30 10 IEEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915447745 MSGVOWPLTUZQTG-LLVKDONJSA-N 433.324 2.066 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1N 1084230734 CTXMJZHJZPHJTF-UHFFFAOYSA-N 433.444 2.456 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cc(C(=O)N3CC[C@@H](OCC=C)C3)cc([N+](=O)[O-])c2)C1 1116598132 XSEFZSZKAYWHQW-BGYRXZFFSA-N 429.473 2.429 30 10 IEEE C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1141468898 CIDIEBLRIIWRRJ-OAHLLOKOSA-N 432.933 2.227 30 10 IEEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@@H]1C(=O)OC(C)(C)C 1147785859 QQSXIFUJOICETD-CVEARBPZSA-N 449.573 2.332 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)c1 1158340034 VJYLDGMEZXSKHF-UHFFFAOYSA-N 440.481 2.483 30 10 IEEE C=CCN1CC[C@@H](N(C)C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O 1270494113 VOBYVYQWRYTRKZ-MOPGFXCFSA-N 426.517 2.208 30 10 IEEE N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1277257989 GUWZGZJKBOAFTO-QFIPXVFZSA-N 426.494 2.167 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCO[C@H]1C 1286368406 YSRMYADNESLKKG-DJJJIMSYSA-N 435.322 2.326 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(C)nn(C)c2C)CC1 1286485498 NLPITVFVYYHTOF-TZIWHRDSSA-N 439.608 2.351 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286494049 JCGAZRHIXFHAOX-UHFFFAOYSA-N 429.594 2.204 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286618560 CMPGFSZPOXJQAL-UHFFFAOYSA-N 442.911 2.297 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1)C1CC1 1286731216 DHADLCZHIHNRDD-UHFFFAOYSA-N 429.546 2.143 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1286780657 HFPNBBVFRGSQBR-UHFFFAOYSA-N 442.564 2.438 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccnc3[nH]nnc23)cc1 1291833053 VPHHYNAJYOISEH-JLPGSUDCSA-N 427.490 2.198 30 10 IEEE N#Cc1cc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)ccc1N1CCC(O)CC1 1294975810 DGARVJYNUWHMOH-UHFFFAOYSA-N 429.480 2.382 30 10 IEEE CCn1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)cn1 1295923968 DHICDCDQFYZPKX-CQSZACIVSA-N 431.298 2.029 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)c1c(I)n[nH]c1C 1296303580 KJHZZLQQNBMQSS-UHFFFAOYSA-N 426.214 2.472 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1297156609 FDPUFSPJBMLTNB-AVRDEDQJSA-N 442.495 2.422 30 10 IEEE CN(Cc1ccoc1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298420805 YEOWRCFWEWBUBL-QTIQAUKSSA-N 426.477 2.276 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1298752402 BPLDZTSNLOXEDI-UHFFFAOYSA-N 434.566 2.007 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1300278243 PPMJZKUTIRMUAJ-QFIPXVFZSA-N 436.472 2.080 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1300305330 UKZOYSUVDKOGKL-OXQOHEQNSA-N 433.560 2.473 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300460331 SEABNEMJRJOJTM-UHFFFAOYSA-N 430.560 2.303 30 10 IEEE C#CCN(c1nnc(COCC)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300504406 NFADKNYEGGWSJW-KRWDZBQOSA-N 434.587 2.234 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N[C@@H](C)CC 1300512963 OWJKHDARNHLPGZ-HNNXBMFYSA-N 445.365 2.424 30 10 IEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1300587652 SCUBXENKYDAFPC-UHFFFAOYSA-N 442.523 2.077 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1300684548 YPCCPTLSFDPFTG-IIBYNOLFSA-N 445.545 2.113 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnccc2OC)CC1 1300707304 DKEJMXZQFXZZLE-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1300756518 PDTUAXKZBVWOMZ-QZTJIDSGSA-N 429.521 2.313 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1300873372 FUKNMZHBEZIWLC-ICSRJNTNSA-N 440.548 2.396 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cc(C)oc1C 1301412545 CYMFPEMVHFGPLL-QFIPXVFZSA-N 431.537 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCn2cc(CO)nn2)C1 1301553414 LUQDZJKAWYBPEQ-QGZVFWFLSA-N 427.484 2.040 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1301602687 VASIKYHSUSZFEH-UHFFFAOYSA-N 436.969 2.383 30 10 IEEE C=CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301620514 GLTHXDXFGOYLJZ-OAQYLSRUSA-N 437.610 2.297 30 10 IEEE CS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1302465027 JBUDYEASORVCJO-QYZOEREBSA-N 429.546 2.308 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CCCCCCO)c1 1302988067 VOONXMJYTGYNFM-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1303640506 LONZAKIDQQGIGK-BZUAXINKSA-N 430.475 2.174 30 10 IEEE Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1304307553 NMERRZNWVVYAMT-MEUCICPISA-N 440.504 2.377 30 10 IEEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)s1 1304778095 DHXNLZASIAFNTI-UHFFFAOYSA-N 445.574 2.090 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C[C@@H](C)O1 1306403140 DFYKMMMFCFFENI-APWZRJJASA-N 446.577 2.148 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1314631129 BWUYWUGDYYXMQF-CQSZACIVSA-N 447.337 2.305 30 10 IEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1315961326 GWQUIDXPPSFASC-UHFFFAOYSA-N 440.548 2.460 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1316227341 AMMLERNZKSXYPN-NRFANRHFSA-N 448.527 2.375 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1349137658 GZWAHELUWRPWDE-UHFFFAOYSA-N 430.530 2.364 30 10 IEEE C=CCN(C(=O)CC1CS(=O)(=O)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352003635 KDLNTAHRNLYOKU-UHFFFAOYSA-N 440.568 2.167 30 10 IEEE Cc1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc(C)c1C#N 1353701237 UTGVZQAJLMCRLM-UHFFFAOYSA-N 427.526 2.267 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](F)COC)c1 1358902804 ZUAOKIITPPWEFP-QZTJIDSGSA-N 429.496 2.213 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1358934459 BYFQJUCDUXCINI-UHFFFAOYSA-N 449.552 2.270 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCO[C@H]1C 1358972692 OZORJGYREJANOR-MGPUTAFESA-N 429.318 2.320 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2oc(CC)nc2C)CC1 1359045085 WQIDUKUEOUEFQJ-GOSISDBHSA-N 440.548 2.393 30 10 IEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359177649 WKPOGBBPIQEODE-QGZVFWFLSA-N 439.486 2.344 30 10 IEEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359248703 YYQICSQUTBFXGM-AWEZNQCLSA-N 436.969 2.430 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359296486 KZHHBRQIBCVHGP-LJQANCHMSA-N 449.559 2.252 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)cc1 1450299667 RXMUEKLHUADYNM-UHFFFAOYSA-N 441.553 2.414 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1455706494 UOPVLHOYPTXYCP-GUYCJALGSA-N 437.327 2.412 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(NCCN3CCOCC3)c(F)c1)C2 1456745693 UNMIADIXDLAEGA-UHFFFAOYSA-N 429.521 2.284 30 10 IEEE C#CCN(C(=O)CN1C(=O)COc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1471882605 QQHFRNXSWPHRDF-UHFFFAOYSA-N 427.501 2.273 30 10 IEEE CC(C)N(C)C(=O)C1CCN(C(=O)CNC2(c3cccc(C#N)c3)CCOCC2)CC1 1473652973 CHIJBFYNUUULMW-UHFFFAOYSA-N 426.561 2.259 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)s1 1492765765 QSISIICSOZWLKX-OAQYLSRUSA-N 436.545 2.311 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1 1494126619 BXIRCMVFWYXFQX-KRWDZBQOSA-N 438.532 2.212 30 10 IEEE CCOCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1502996597 DYGMSNPQTADPLC-QFBILLFUSA-N 431.562 2.361 30 10 IEEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1503541941 BBYKITTXNYQWCP-GOSISDBHSA-N 429.546 2.399 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)C1 1503724819 GHPVZRFUXCUVHA-HSZRJFAPSA-N 431.500 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2=CCCOC2)CC1 1507740617 OIACCHHEKXTUJO-UHFFFAOYSA-N 449.555 2.478 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(=O)(=O)CC 1507765692 UOSAAFARFVTYAR-HRAATJIYSA-N 449.552 2.489 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507775042 GYDNIKKURHCWKF-OAHLLOKOSA-N 425.375 2.053 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507888200 XFVOMGYPAKZJAJ-UHFFFAOYSA-N 443.573 2.172 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1507916175 LLRRSACHNHEBCX-HOTGVXAUSA-N 433.582 2.253 30 10 IEEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507942741 UQSVTSYASKZWPN-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21)C1CC1 1507988437 SFCNPVHJGFEJOV-JKSUJKDBSA-N 433.582 2.126 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(C)C(C)=O)CC1 1508079457 WKCVXICZHDOPKG-UHFFFAOYSA-N 447.543 2.243 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCC2)C1 1508138891 AHAGCQAIPFOBIW-LJQANCHMSA-N 444.605 2.314 30 10 IEEE CC(C)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1509517231 BLZLNFBMOHVGCA-HXUWFJFHSA-N 444.605 2.419 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1518744416 AYHMBXRSLDXDMD-LJQANCHMSA-N 439.495 2.420 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1ccnn1C 1534850003 KQHDRIYVOSFQQT-YADHBBJMSA-N 446.467 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC)C1 1539002205 QZKQKQLIFSOLMF-IRXDYDNUSA-N 429.594 2.038 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539221338 ZXANHEXXNRPWBD-NHCUHLMSSA-N 443.617 2.406 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(n1)CCCC2 1539232533 GYJBXIUAZNIQKV-UHFFFAOYSA-N 425.496 2.320 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCc3ccccc32)CC1 1539466623 DPUWGUSHNBTIJQ-FQEVSTJZSA-N 448.571 2.112 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1539469672 UBICACQYSZTFFG-LYHRCORUSA-N 429.565 2.096 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)CC1 1539470075 JKMPJNCJWUDQON-UHFFFAOYSA-N 431.525 2.287 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539518170 WHQOHIBZSHXYJB-NHCUHLMSSA-N 446.665 2.143 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1540088101 GLXQRQBTNKOKQJ-INIZCTEOSA-N 448.568 2.254 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(C)C 1540148554 YTAGSTKKCGBKPN-AUSIDOKSSA-N 443.596 2.100 30 10 IEEE CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1 1541007008 UTLURIVYMGXZCZ-PKTZIBPZSA-N 449.603 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC2(CC1)COC(=O)N2 1546084857 YMGJZQHNBUPJIF-SFHVURJKSA-N 440.500 2.494 30 10 IEEE CN(C[C@@H]1CCCOC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554235338 MHMLDICYXOFPMZ-VEGAHXMMSA-N 442.564 2.400 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(C(=O)N(C)C)CCCC1 1555727811 FPAKDNNSXSDCKQ-BZSNNMDCSA-N 432.569 2.389 30 10 IEEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1cccc(C(F)(F)F)c1 1558806675 XXPKEOYVXXULBF-UHFFFAOYSA-N 444.373 2.031 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NCc2ccc(-c3nncnn3)cc2)CC1 1564601999 VOPVDZOCNAXACN-UHFFFAOYSA-N 430.472 2.390 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC1CCCCCC1 1588233539 KXJVVNWABKYXLF-LJQANCHMSA-N 432.590 2.383 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1589216224 LXHNJEZWQDVHEO-DENIHFKCSA-N 428.558 2.389 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1594867901 QSPOWKXVZNESTH-QFBILLFUSA-N 447.502 2.206 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1ccn(C)n1 1595296211 AQEGOTFMRGNVTI-UHFFFAOYSA-N 434.504 2.209 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1595593522 FPKBQIJDSGZJTD-OALUTQOASA-N 429.496 2.446 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1613437030 KXWICBORKISESQ-LPHOPBHVSA-N 441.605 2.412 30 10 IEEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1618029803 HJHPRLJJMNYDSQ-UHFFFAOYSA-N 427.526 2.277 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(C#N)o2)CCO1 1618688690 CUPGCJVNTAHXAC-KRWDZBQOSA-N 444.854 2.202 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1619006925 KAKLEJNOBBZNJR-OFNKIYASSA-N 441.532 2.395 30 10 IEEE COC[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619586657 CTMZTPKNBQJGRU-SFHVURJKSA-N 432.532 2.140 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1620002595 VIEHGQSPOAIVKQ-UWVAXJGDSA-N 439.582 2.099 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cnnn3-c3ccccc3Br)CC2)c1 1624912390 IKVZCCRWISGBNI-UHFFFAOYSA-N 438.289 2.259 30 10 IEEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1nc2c(cc1C#N)C[C@H](C)CC2 1627762948 NULMLBPUQUKHBY-CQSZACIVSA-N 436.516 2.290 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(Br)c2)s1 1631156784 FSNHQLSQFDZPBX-UHFFFAOYSA-N 430.349 2.229 30 10 IEEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1635209348 CEUJCOLLTKXQII-IBGZPJMESA-N 445.472 2.293 30 10 IEEE COC[C@](C)(C#N)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1635673268 MNBNYKQEFUEYHW-QHCPKHFHSA-N 435.480 2.027 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1637500082 DFGGQGJZJLQZML-GOSISDBHSA-N 433.553 2.488 30 10 IEEE C/C=C/C[C@H](NC(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1638284266 GWYDHUTZNPGLIP-DIYXLRBJSA-N 435.546 2.298 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1639033754 NGZBKNNADGSLMZ-WUKBZCGHSA-N 432.521 2.295 30 10 IEEE C=CCc1ccc(OCC(=O)N2NC(=O)C[C@@]23CCN(C(=O)OC(C)(C)C)C3)c(OC)c1 1640102682 TVYCHZXFGAIPIJ-HSZRJFAPSA-N 445.516 2.446 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1646214304 JEJFPNYMPGDXDG-BEFAXECRSA-N 435.546 2.101 30 10 IEEE C=CC[C@H]1CCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1646494729 UPOTYOOEBXMFFS-KRWDZBQOSA-N 446.573 2.187 30 10 IEEE N#Cc1ccccc1NC1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 1647923268 OOGVWMSRTUNAFF-UHFFFAOYSA-N 430.505 2.469 30 10 IEEE CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)O1 1649588238 DIVGFLFLVAYNIV-GQIGUUNPSA-N 438.598 2.366 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1653744392 BGKPUYCFVOHFML-UHFFFAOYSA-N 449.573 2.460 30 10 IEEE CC(C)(C#N)CNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1681276355 AUMGNCXAHXRQJH-IAGOWNOFSA-N 448.568 2.113 30 10 IEEE C#CCN(C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1682299786 TXLWITFIMAYIKI-INIZCTEOSA-N 432.525 2.201 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1686056269 VBCSROZAISTTHU-RBUKOAKNSA-N 427.505 2.475 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 1686181204 CCXHPZZHFGUBPV-ZSHKSDETSA-N 433.512 2.482 30 10 IEEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)O1 1686181696 SSNJKPKIRXJXIF-JRGKDQQJSA-N 444.532 2.248 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689856986 XRQPJUQYHROKQU-HXUWFJFHSA-N 444.587 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCNC(=O)c1cccc(OC)c1 1690050173 VTXIEFLISODDJD-UHFFFAOYSA-N 442.523 2.165 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C(C)C)C(C)C 1690189886 FOHXWOMHVHSRGT-GHTZIAJQSA-N 438.642 2.389 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1690464472 CBFIOASETZUGCX-KSZLIROESA-N 425.599 2.450 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690478475 YKUZOBPWQLGHFW-MRXNPFEDSA-N 447.561 2.406 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690671970 FDCHWTKWKKIFSI-UHFFFAOYSA-N 444.502 2.064 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(C)C1CC1 1690995160 DSAPJWAOSIVGIR-HZPDHXFCSA-N 430.578 2.427 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1691003391 GRHKVZOHFQYYSL-RDJZCZTQSA-N 446.506 2.472 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1692655597 GYLDNKHRNJKZDQ-KSSFIOAISA-N 432.488 2.220 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1695694673 DUECRNOOMUOSFF-QFIPXVFZSA-N 448.575 2.424 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2ccn(C)n2)c1 1705505111 INQNZNCZYWNIJZ-UHFFFAOYSA-N 428.500 2.122 30 10 IEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705513629 SVMQAANKIGJGHT-UHFFFAOYSA-N 430.578 2.442 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCCS1(=O)=O 1705547692 MRVUELIFLPLLNB-UHFFFAOYSA-N 445.589 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCO[C@@H]1C 1705575066 WXMOHVXJMQUSHO-QRWLVFNGSA-N 429.318 2.320 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1705583645 FTSLYYXCMJZRHV-SFHVURJKSA-N 430.961 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1705599578 QDIJWNDYOKCIBS-UHFFFAOYSA-N 440.486 2.495 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1 1705628625 LUENHUYSOJXEGB-QGZVFWFLSA-N 433.553 2.473 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705656716 GSDSPEYMTCIZFJ-JOCHJYFZSA-N 438.557 2.126 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1705685095 NFRUZRCANVEICB-UHFFFAOYSA-N 426.359 2.433 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C)C1CC1 1705853412 AJMBHDFFVSHNTD-INIZCTEOSA-N 447.561 2.057 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1705869106 MDMMLHGGZKVEKP-VAMGGRTRSA-N 430.597 2.495 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1705902052 FAYVMQDCVFFPAZ-KRWDZBQOSA-N 428.537 2.281 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1706914842 WVZXMYWCRKOGIQ-CQSZACIVSA-N 445.476 2.305 30 10 IEEE Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CCOCC(F)(F)C(F)F 1707884751 SKMSZGXXAJYHPX-UHFFFAOYSA-N 449.371 2.398 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709444540 FEYYLUVNROJWJZ-DEOSSOPVSA-N 446.559 2.480 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1711206191 VVUADHUFAOIFAU-UHFFFAOYSA-N 447.492 2.380 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1712176267 WLYKMGIILGCYPX-OAGGEKHMSA-N 440.520 2.167 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(C)CCOCC1 1712454695 KLYCTAONQRPEGW-UHFFFAOYSA-N 430.509 2.189 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCSCCCO)CCN1C1CC1 1712882824 GZRAMRSEVVLUGQ-QGZVFWFLSA-N 447.996 2.286 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722338423 HSNIMDDCJMFQBF-OAQYLSRUSA-N 441.601 2.481 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1722364616 MBJVKGZDPUXCQX-PKOBYXMFSA-N 440.573 2.423 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCc2nc(C)no2)CC1 1722441921 UUQFQKUFFZKKDW-UHFFFAOYSA-N 449.559 2.151 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC2(O)CCC2)CC1 1722442467 XUGADDOOADRVNT-UHFFFAOYSA-N 439.560 2.316 30 10 IEEE C#CCSCCn1c(-c2ccccc2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722457073 ONJHVJYVDKYOKW-GOSISDBHSA-N 428.583 2.247 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCOCC1 1722511820 MSJPTCPNQQJNRC-GOSISDBHSA-N 437.552 2.044 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1722704836 XOOCTUJAQZJKEG-XXBNENTESA-N 425.533 2.226 30 10 IEEE C[C@H]1C[C@@H](C)CN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)C1 1726461431 CCRMKLZICNRDAL-SUWCGCSTSA-N 431.560 2.429 30 10 IEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1726739855 FAAYUMCNWLDNBH-ZIFCJYIRSA-N 438.532 2.068 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCC[C@H]1OC 1729070739 NUBMBMLPZBYHOG-RBUKOAKNSA-N 425.537 2.223 30 10 IEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)cn1 1730155392 WPBHWAXRELUYGE-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOC4(CCCC4)C3)n2CCOCCCO)cc1 1731184548 CYXYCRNVVMVTJS-UHFFFAOYSA-N 441.532 2.277 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1740533563 CJUXYHYERODHAR-MJGOQNOKSA-N 425.533 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccncc1 1740652746 LMASRAAPXVVXBZ-UHFFFAOYSA-N 437.507 2.293 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCOC1 1740676533 FUZICLAZAZNGOA-RTBURBONSA-N 446.548 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1740693604 FAYVHANRUWOLFP-BGYRXZFFSA-N 440.567 2.339 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCC(=O)NC2CC2)CC1 1740693664 HGOLJYYPRITPTG-UHFFFAOYSA-N 426.952 2.413 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(OC)nc2)CC1 1740700129 GYFBWLUOLOSAIO-UHFFFAOYSA-N 436.491 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2([S@@](C)=O)CCC2)CC1 1740706003 OQRSMOKITLSJEZ-SSEXGKCCSA-N 431.606 2.203 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)C2CCCC2)CC1 1740706353 SLLLJBDZUJEUPF-UHFFFAOYSA-N 449.603 2.489 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 1740954256 HBHYAPSHUKMYON-JOCHJYFZSA-N 442.589 2.279 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccnn1C)C1CC1 1740956965 WZDKZNJEFHZHPB-UHFFFAOYSA-N 426.912 2.198 30 10 IEEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1747453184 PFKVOVNVHXQQDW-SSEXGKCCSA-N 431.562 2.421 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)OC)CC1 1749015781 NECUMUNSWAKZRB-GOSISDBHSA-N 425.533 2.166 30 10 IEEE C=C(C)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749207335 IYRIBPFNDDFNPA-NXOAAHMSSA-N 430.553 2.340 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(C)S(=O)(=O)CC 1749475756 NTHDEADTJNUBOZ-UHFFFAOYSA-N 435.550 2.010 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1749485769 ZVYJELYSDWKPTK-SSEXGKCCSA-N 426.546 2.115 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)COC1 1749530973 AVBFDESGQJOZJV-LJQANCHMSA-N 441.557 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCOCC2)C1 1749718659 XVSPRTBUOFVUGE-FQEVSTJZSA-N 428.533 2.488 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)C1 1750379018 AMQAZJICHDDBLU-UTKZUKDTSA-N 447.536 2.478 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)cs1 1751776501 BWGVRAQQOKTIPM-UHFFFAOYSA-N 446.558 2.160 30 10 IEEE Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1751874184 RDYGLPNRZMKPDO-RNVCBPMASA-N 442.545 2.048 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1760095509 QWKDTUMDWRGRDL-RBUKOAKNSA-N 438.576 2.143 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C(N)=O)nc1 1760195597 HFVMENHACCLQGT-UHFFFAOYSA-N 449.312 2.323 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nccc(C(F)(F)F)n1 1760207873 AIUCTNHTKGMRJB-YJBOKZPZSA-N 448.449 2.126 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760248869 RXTRGKABTGPJHT-BJWYYQGGSA-N 429.521 2.295 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760283907 CJVWVBSGMOHNFR-SFHVURJKSA-N 425.558 2.343 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1760358670 WKYUVRXESJNAEY-UHFFFAOYSA-N 430.528 2.452 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1760523798 IAVVJRMFAPRNET-LJQANCHMSA-N 436.520 2.039 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1761462782 AGZNWHFFSRHTHS-JKSUJKDBSA-N 430.578 2.432 30 10 IEEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1768715018 AGSHFMMWUINRBT-SFHVURJKSA-N 441.513 2.393 30 10 IEEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1770314719 SCHSTSZWCWIICP-DSGGYQJVSA-N 435.488 2.076 30 10 IEEE COCCOCc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1771259710 LXISKIZLUHOBHX-QFIPXVFZSA-N 448.527 2.204 30 10 IEEE CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CC(Oc4cccnc4C#N)C3)n2)cc1 1849825849 BXGQRJCFOJNNCG-MRXNPFEDSA-N 445.479 2.426 30 10 IEEE N#CC1(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)CCOCC1 1849962811 ASGZPIQZTCSIHM-UHFFFAOYSA-N 445.523 2.473 30 10 IEEE Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)o1 1850411355 JVUMJGFUKWFSGF-HXUWFJFHSA-N 426.517 2.080 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)NC1=O 1851143700 UHYIFKRKKLSTQT-IBGZPJMESA-N 448.454 2.234 30 10 IEEE Cc1ccc(Cn2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)cc1 1851938400 LNOKRCFBNBYXII-UHFFFAOYSA-N 445.527 2.189 30 10 IEEE Cc1nn2c(c1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1)OC[C@@H](C)C2 1852507234 ZDPQUPFKHRVRPY-JXFKEZNVSA-N 440.500 2.028 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)c3ccnc(Cl)c3)C2=O)C1 1854880927 LELPZDSRSAIRGP-KRWDZBQOSA-N 425.876 2.286 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)CC)C2=O 1861534645 GWTCXAFWMYGWRI-QVKFZJNVSA-N 449.507 2.430 30 10 IEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 1866235820 UWGJAMABFTXAKF-HNNXBMFYSA-N 444.467 2.195 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCN(CC)CC1 1870746699 AVLYJXUCEQSDCG-UHFFFAOYSA-N 440.544 2.198 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010545489 WAWJJTCPQXNVJE-YCRNBWNJSA-N 428.533 2.153 30 10 IEEE C=CCC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2011919998 LJKHMHPRLAUJFD-HOTGVXAUSA-N 439.553 2.286 30 10 IEEE CN(C(=O)C1(CNC(=O)OC(C)(C)C)COC1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2131469570 LXGIIEHYQKMTMR-UHFFFAOYSA-N 446.353 2.490 30 10 IEEE COC(=O)[C@H](CCNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247945086 VJQNPEJLJMDHOS-RDBSUJKOSA-N 426.319 2.041 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267177129 JVRAJNCPBRPNCP-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267182001 AGRYDAPVLDNTNU-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CCC1(CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267194897 SUFRAIYLKHUZGG-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE Cc1nn(C)c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267519291 IGAKMURKUIKQCJ-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268676024 FZHWZBRIQPBASG-JOCHJYFZSA-N 447.341 2.081 30 10 IEEE COc1nnc(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)s1 2282305280 WOOZRGHKLVVBQC-UHFFFAOYSA-N 437.761 2.362 30 10 IEEE C[C@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282869054 WPPMDVZSHYEDOO-HNNXBMFYSA-N 425.356 2.053 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2340772298 DLVVPHXWIXBRQG-XLOAEROZSA-N 446.357 2.228 30 10 IEEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1 21326223 OZSCWJWPUUGOFH-ZMOGYAJESA-N 443.508 2.384 30 10 IEEE C=CCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1ccoc1C 23819876 YKUASJGSLBBYJO-UHFFFAOYSA-N 444.517 2.411 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 36212707 YKPOINVQKFJBSB-QFIPXVFZSA-N 449.507 2.368 30 10 IEEE N#Cc1cccnc1N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 301113478 XLNQOERFMHZEDM-UHFFFAOYSA-N 435.347 2.312 30 10 IEEE C[C@@H]1C[C@]2(CCO1)CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C[C@@H](C)O2 430281201 YZRAKQCSFPUMIA-JDCWHPJTSA-N 444.551 2.193 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)ccc1OC(F)(F)F 443297154 MYLMSIRJAKYAGS-HNNXBMFYSA-N 432.358 2.317 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)ccc1C 446117329 OWAWXJYLIVVRSQ-UHFFFAOYSA-N 445.544 2.306 30 10 IEEE CC(=O)N1CCc2cc(NC(=O)C(=O)NC3CCC(Oc4ncccc4C#N)CC3)ccc21 446190417 BHLCZJONCNZZGI-UHFFFAOYSA-N 447.495 2.307 30 10 IEEE CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447787396 PRXJTVVHPMGKRF-UHFFFAOYSA-N 441.516 2.257 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 460382723 AUCOBKOSPZNZKQ-HXUWFJFHSA-N 443.573 2.481 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)cn1 462108288 LOTQHGSYARFZBO-HXUWFJFHSA-N 431.500 2.204 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1 481020205 UGBPSFCOZXXSGX-DNVCBOLYSA-N 428.514 2.193 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 483475177 LBPUSLDZPPTKMR-OAHLLOKOSA-N 428.518 2.295 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N=c3cc[nH]cc3I)cc2C1=O 483617899 GUHBMIRUJQLPGL-UHFFFAOYSA-N 433.205 2.142 30 10 IEEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 489996509 LXKLMLFJEDUTNH-MJGOQNOKSA-N 432.546 2.052 30 10 IEEE N#Cc1ncn(CCNC(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)n1 491123913 PVMKAAFHCVTJNR-PXNSSMCTSA-N 436.447 2.039 30 10 IEEE CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccc(OC)cc1 503645924 XWEQYAHKKIVTMD-OFNKIYASSA-N 440.544 2.359 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC3CCOCC3)nnc12 504181240 DAEBEDVUIYRACU-UHFFFAOYSA-N 427.530 2.207 30 10 IEEE Cc1nc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)sc1SCC#N 504685545 XKIXUFIHLDHUMG-MRXNPFEDSA-N 441.538 2.481 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508811591 IBBCJOANZIEYRS-UHFFFAOYSA-N 442.527 2.443 30 10 IEEE COc1ccccc1[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)O 516234916 NGMOCKPSPMSXOE-HNNXBMFYSA-N 425.260 2.434 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc(CC)cc2)c2cccs2)CC1 532740686 LVCYYESAOKWCLI-XMMPIXPASA-N 440.613 2.436 30 10 IEEE CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cnc2c1c(=O)n(C)c(=O)n2C 533151275 FJORCQLJZLEDQZ-AWEZNQCLSA-N 446.492 2.203 30 10 IEEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc([N+](=O)[O-])cc1F 544604824 ZHUWYTJRMXPWNH-CQSZACIVSA-N 446.460 2.242 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3Cc3ccccc3)CC2)c1C#N 549533562 ABORRHNAORDIKE-LJQANCHMSA-N 432.532 2.071 30 10 IEEE CCc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cnn2C)c1=O 552006138 AXTFYEVVSPEPIH-UHFFFAOYSA-N 432.549 2.376 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCCN(S(=O)(=O)C3CC3)CC2)ccc1Cl 558860553 FQWDPSSBEHYUTD-UHFFFAOYSA-N 438.981 2.395 30 10 IEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 561550302 XEAXUBIVKVWXIA-HOCLYGCPSA-N 431.901 2.409 30 10 IEEE Cc1ccnc(Nc2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ncn2)c1 585484977 BBQDGUSQJGYXKB-UHFFFAOYSA-N 435.513 2.306 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 734668243 CSUJHKLVUUGXCQ-IAFNSTAXSA-N 437.422 2.110 30 10 IEEE COC(=O)[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1)c1ccc(C#N)cc1 740213223 DNJCMENHGLTJQL-GOSISDBHSA-N 434.445 2.455 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 748066252 SSKLBXPDFZTGSK-UHFFFAOYSA-N 432.929 2.090 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1=O 751326836 RDVKEQXPOZLCIR-JOCHJYFZSA-N 427.505 2.178 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC1CCN(c3ccccc3C#N)CC1)C2=O 757032784 VSJDEDDBYWARIT-IAGOWNOFSA-N 437.544 2.390 30 10 IEEE C#CCOc1ccc(COC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 765131496 JOXYOOSPTFNGCV-GOSISDBHSA-N 432.498 2.448 30 10 IEEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 765233422 LYIDQFHVVUJEHO-UHFFFAOYSA-N 439.243 2.428 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O[C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@H](C1)C2=O 767758485 QDPCBSBVASOHOW-RGPMPMONSA-N 441.484 2.090 30 10 IEEE N#CCSc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 770855706 RYDNZZFPSWUAQZ-UHFFFAOYSA-N 433.511 2.281 30 10 IEEE CCN(CCC#N)C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C 782396406 LZYACOCFESRKTD-GIMINZRKSA-N 437.537 2.390 30 10 IEEE C#CCN1CCC(C(=O)N[C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)CC1 789721369 RMBYCVVZKOBBFB-NHCUHLMSSA-N 439.556 2.132 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790248199 RYAPBOJFPMZTDE-WZONZLPQSA-N 435.565 2.430 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 796217907 GIHHBRUHUNGVFI-UHFFFAOYSA-N 444.481 2.484 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2OC)C1 797809031 WRAUJJPGIRXOFM-KEYYUXOJSA-N 433.530 2.495 30 10 IEEE CCN(C)Cc1cc(O[C@@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)ccn1 856586815 UEOIANJKPKPUTO-OAQYLSRUSA-N 428.558 2.332 30 10 IEEE Cc1cccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)c1 1083939442 XHWPEVRCUXIEAV-UHFFFAOYSA-N 442.461 2.091 30 10 IEEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1ccccc1Br 1084258771 BDCKKZUOYCNBMS-UHFFFAOYSA-N 447.322 2.326 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccccn3)n2)cc(OC)c1 1084272707 SDIAQNYEFLVBPP-UHFFFAOYSA-N 441.517 2.462 30 10 IEEE COc1ccc(CSc2nnc(NN=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)n2N)cc1 1084439954 MIOZTOQOODYYBI-UHFFFAOYSA-N 445.461 2.361 30 10 IEEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCn3ncc(I)c32)cc1 1128895310 DVBNVGWFMXOKKW-HNNXBMFYSA-N 433.253 2.375 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)c2C#N)C1 1131605808 LFUCQMZVMUVVGB-ZBFHGGJFSA-N 434.518 2.145 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3c(nc2O)CCC[C@@H]3O)cc1 1141821215 MRIYWDYDXUQFHB-LNUHTHKGSA-N 444.513 2.222 30 10 IEEE CC(C)Oc1cc(Br)ccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159491137 VMPHZFPDHJEGIM-UHFFFAOYSA-N 433.262 2.067 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)c(=O)c1C#N 1161250403 IYWLQVICLNJRMR-UHFFFAOYSA-N 444.293 2.218 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ncccn2)CC1 1178368437 JGNALTJAEJLSKM-UHFFFAOYSA-N 441.557 2.482 30 10 IEEE C=CCn1cc2ccc(NC(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)cc2n1 1209581503 GCAAOZQOIBJORR-UHFFFAOYSA-N 444.517 2.366 30 10 IEEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1252969824 ADDVWDJDBDFNJU-DZGCQCFKSA-N 426.505 2.282 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1286397062 RIGUBKKHSGXVAU-HZPDHXFCSA-N 430.521 2.267 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(NC(C)=O)cc1 1286414808 CIWWVFGYMKYFHL-UHFFFAOYSA-N 432.528 2.178 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)(C)C)cs1 1286419996 JLOVJHUHTWAWNO-OAHLLOKOSA-N 448.618 2.154 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(F)c(Cl)c1 1286460863 KSVVGDBTPOMJPB-UHFFFAOYSA-N 449.914 2.472 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CN(C2CC2)C1=O 1286467222 RQYADYGAURYPSH-HSZRJFAPSA-N 443.498 2.244 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1286480870 PXGTYPNFPRSQSQ-IBGZPJMESA-N 427.524 2.261 30 10 IEEE C=C(Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)c1ccccc1 1286619298 QMFIWKORMMFGCN-UHFFFAOYSA-N 436.560 2.216 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1286643327 FSEISFMWDUXXFC-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286670385 HMXJXFKZELLLIE-FQEVSTJZSA-N 426.613 2.497 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1 1286825546 SLMFZNZODSCBKP-BRSBDYLESA-N 440.610 2.411 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)COc2cccc(Br)c2C#N)CCCOC1 1287370896 VJPNEXKNGJOSOZ-GOSISDBHSA-N 425.279 2.176 30 10 IEEE Cc1nnc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290730864 WQXLBPROEJEOOC-UTTYWZDOSA-N 449.559 2.071 30 10 IEEE C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291152920 WLOXKLDPXNIXBT-AOMYARPXSA-N 437.460 2.226 30 10 IEEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1293245707 GNPRTNDDNRCFDQ-YFHOEESVSA-N 427.451 2.121 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OC)cc2OC)CCOC1 1296605338 HPSVKHSPGYJCGH-FGZHOGPDSA-N 445.495 2.438 30 10 IEEE CO[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1299682467 CSUMMBDXTHUEDP-UXHICEINSA-N 439.564 2.436 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1300303216 HHNCDEVCRWXUMW-IVZQSRNASA-N 437.573 2.489 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300489391 NFXNRNPUEVQQMK-KPLVRAHFSA-N 430.574 2.369 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(N)=O)cc2)CC1 1300722070 HDVOHTKAAJIVTD-UHFFFAOYSA-N 434.544 2.049 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1300787254 KYCVEEFZNKHDKY-FYYLOGMGSA-N 429.565 2.229 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300891579 ZTKFIAJGGWQAOD-APWZRJJASA-N 425.599 2.120 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1301059260 VGLRTYHJZUEXRG-UHFFFAOYSA-N 438.576 2.453 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CC(OCC)C2)CC1 1301106203 RHRKLPOWRKZIPT-ZLPCBKJTSA-N 425.599 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC(F)(F)CO2)C1 1301543881 QIXGYFXCBFPXNB-GJYPPUQNSA-N 428.480 2.136 30 10 IEEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OC 1303685777 FAWHEIPWZRVLPE-BXWFABGCSA-N 438.546 2.112 30 10 IEEE Cc1nnc(N2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)s1 1303853811 ULROLTVVYJUCIL-UHFFFAOYSA-N 428.367 2.417 30 10 IEEE N#CCCN(C(=O)CCC(=O)NC1(C(=O)N2CCOCC2)CCCCC1)c1ccccc1 1305430564 DREXCUGBVVKQCA-UHFFFAOYSA-N 440.544 2.391 30 10 IEEE Cc1cc2c(Br)ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2o1 1305590024 NHMIXEKIPSOUGN-UHFFFAOYSA-N 429.230 2.335 30 10 IEEE N#Cc1cn(C2CN(C(=O)C3(c4ccc(Br)cc4)CCCC3)C2)c(=O)nc1O 1305592002 ZEEXCYZKJWDFEI-UHFFFAOYSA-N 443.301 2.478 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(-n3cncn3)c2)CCOC1 1314073143 BMKSSVSFQGUFBQ-VGOFRKELSA-N 436.520 2.298 30 10 IEEE C=CC[C@@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)OCC 1323843584 BRRFWPRZQYYNCB-CYBMUJFWSA-N 425.279 2.189 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCCS(=O)(=O)NCc1ccccc1 1350546770 QZAYOBVKKUGOGU-UHFFFAOYSA-N 436.331 2.099 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1c(Cl)ccc(I)c1F 1357412175 AMDPGTXWWMAWPB-UHFFFAOYSA-N 431.654 2.414 30 10 IEEE CCOC(=O)Cn1cccc(NC(=O)COc2cccc(Br)c2C#N)c1=O 1358174289 HTNDFGDOSXNVML-UHFFFAOYSA-N 434.246 2.063 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1358963047 AYRJEFMYPXEXIR-LJQANCHMSA-N 445.589 2.334 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1358966282 LOIMTDLERMDMSJ-IBGZPJMESA-N 443.573 2.089 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2CCN(CCC)CC2)CC1 1359043862 LZNUPLNFFXMMCF-UHFFFAOYSA-N 449.603 2.428 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCOc2ccc(Cl)cn2)CC1 1359047013 NQLYQNZZTJJDEP-UHFFFAOYSA-N 442.951 2.324 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359131539 XGCKSHKIJHYFKP-UHFFFAOYSA-N 444.609 2.275 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCC(O)CC2)CC1 1359160398 TZWVOMAHSPKSOX-HSZRJFAPSA-N 433.597 2.322 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359219000 CISWGHOXMPREDE-UHFFFAOYSA-N 444.609 2.497 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCN(C(C)C)CC2)C1 1359318220 ZBSYUQKUMLUXJX-IBGZPJMESA-N 426.565 2.357 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)C1 1359322299 SQSCKPUBRXJZNH-ICSRJNTNSA-N 446.573 2.431 30 10 IEEE C=CCN(C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)[C@H](Cc1ccccc1)C(=O)OCC 1435898993 ANAXYRAKIUTKOZ-LEWJYISDSA-N 449.507 2.316 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1440745737 HWXUNLDCSDPYJZ-INIZCTEOSA-N 427.505 2.379 30 10 IEEE COc1cnc(C2(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CCCC2)nc1O 1456393254 HWIBLECVHGPJMH-UHFFFAOYSA-N 435.488 2.240 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCO[C@@H](c4ccccn4)C3)C2=O)cc1 1468066843 LLYOWQRCRQGNBF-LSTHTHJFSA-N 433.468 2.195 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCc4cc(C#N)ccc43)CS(=O)(=O)[C@H]2C1 1468915402 KVIPKIIUDJGQOF-LMMKCTJWSA-N 445.541 2.118 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1471358911 PJESRECFSIEABY-LJQANCHMSA-N 445.564 2.185 30 10 IEEE C#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1471882635 RGKCMCCXKTWVKT-UHFFFAOYSA-N 435.546 2.117 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 1479190221 ZCQXFWGJJKOLSV-UHFFFAOYSA-N 434.562 2.362 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1496372648 CVGRHHPTYOXCET-SIKLNZKXSA-N 443.573 2.110 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCSCCCO 1504389755 JIDSPQZUVQPOOZ-GOSISDBHSA-N 442.589 2.246 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCC(=O)N1CCCCC1 1505065215 FSYRQERFJKHEGY-ICSRJNTNSA-N 430.553 2.145 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1507537181 GSEZALXWXSCELC-TZMCWYRMSA-N 442.463 2.427 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC(C)CC1 1507604874 NXPOAZRDYPRYIJ-UHFFFAOYSA-N 443.621 2.348 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1507622143 BPSKJPAUAAUKAJ-OWCLPIDISA-N 430.553 2.033 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507635277 QZAHQJIHQGUISD-NRFANRHFSA-N 435.553 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCc2sccc2C1 1507637791 SZXCSBWYZYLGKW-UHFFFAOYSA-N 438.601 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507649237 UBDBXMZETGXKHZ-UHFFFAOYSA-N 425.489 2.213 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CN(C)C1=O 1507702614 VSWONNZLGHBIIJ-FDDCHVKYSA-N 425.508 2.429 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)C1 1507805651 KSACCUXNTKOUEI-XMSQKQJNSA-N 425.533 2.159 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507845048 VXCIFROOVJBZBN-NRFANRHFSA-N 443.596 2.211 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC)C1 1508085049 FFUXFJSYPMBOIB-MRXNPFEDSA-N 435.532 2.213 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c(c2)CCO3)C1 1508108579 HSRFOEHFAUKLLO-LJQANCHMSA-N 425.533 2.375 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nncn2CC)C1 1508119363 VZTVQENRCCQZKV-KRWDZBQOSA-N 439.520 2.403 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1512424578 IOAHTUFIWIJTSB-DSGGYQJVSA-N 440.479 2.226 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cc(OC)c1OC 1521185910 RPRSSYYHVPWYPS-GFCCVEGCSA-N 441.362 2.479 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1531447240 OMTJAJSEESVDOY-UHFFFAOYSA-N 426.542 2.292 30 10 IEEE C=CCC1(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CCOCC1 1531779765 XDXASYLHDJWBCI-UHFFFAOYSA-N 431.352 2.311 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCS(=O)(=O)CC=C)c1 1539037241 CSIUHHDRYWHEPD-UHFFFAOYSA-N 429.546 2.059 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539140434 NXQNYMDJPPJESV-XMSQKQJNSA-N 433.553 2.447 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC)CC1 1539477788 YSLKESYBDZDHAB-UHFFFAOYSA-N 447.543 2.133 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1539519131 CDSIVAFMEIYSRA-PGRDOPGGSA-N 427.574 2.405 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 1540444295 KEALJWGFBUTGKK-UZUQRXQVSA-N 442.516 2.268 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1541567697 HHMVMOCMBGVEHQ-FQEVSTJZSA-N 443.596 2.001 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)COC 1545886839 NGWZLBNYMYAHPT-CQSZACIVSA-N 441.536 2.014 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1546856204 JIECFHFOSWICHM-GOEBONIOSA-N 431.928 2.275 30 10 IEEE CN(C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552861062 GKKYCERTWABBAJ-LJQANCHMSA-N 438.580 2.311 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1554284237 YXUDUTYWNJIRLE-UHFFFAOYSA-N 428.493 2.270 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc[nH]n1 1556381013 HGFOMBYNOJBWFW-HNNXBMFYSA-N 442.520 2.138 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)OCC 1557935285 XKILZJXFNSHRDR-GOSISDBHSA-N 442.965 2.424 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1568995304 PDBYQXJOMKLBJU-CQSZACIVSA-N 431.493 2.053 30 10 IEEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2=O 1585090489 GBDDUOKRHZQYAT-XDHUDOTRSA-N 437.544 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC 1588219328 QJEPADQXCDFWLF-BVZFJXPGSA-N 446.555 2.452 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C(=O)OC)CC1 1588612777 LIUGZTIZAMUVDD-UHFFFAOYSA-N 436.516 2.381 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)CN2CCCC2)CC1 1588849099 YVCNWFHYOYOIRG-NRFANRHFSA-N 436.604 2.365 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCn2nc(C)nc2C1 1593704242 SCGBPCUVLZQBDQ-UHFFFAOYSA-N 439.520 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1595507190 ZCERXZNVUYBJAX-INIZCTEOSA-N 435.536 2.095 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595544631 KWSUBWKPCUSTGQ-IEBWSBKVSA-N 446.596 2.199 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1595818701 XMABMAHRUROJIZ-STQMWFEESA-N 449.392 2.066 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1595822528 HQYFHLKPHRPCTN-HDICACEKSA-N 434.562 2.380 30 10 IEEE C#CCN1CCC(NC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1596609602 AUVOYPWHSICAMC-FQEVSTJZSA-N 445.361 2.191 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)coc2C)CCO1 1596641720 JMASLLUNRJPRLQ-HXUWFJFHSA-N 434.500 2.416 30 10 IEEE Cc1c(I)ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1C 1596916994 RXJQONUXDSKFCR-UHFFFAOYSA-N 438.225 2.071 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1598201938 CVXNMBMSOLOYPJ-HYBUGGRVSA-N 438.576 2.382 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C)n(C)c2=O)cs1 1612402340 FZZXEOFKPXLNNJ-HXUWFJFHSA-N 427.509 2.131 30 10 IEEE CCOCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1617236807 YOHROPFYTPCYPO-UHFFFAOYSA-N 438.454 2.450 30 10 IEEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)Cc1cc(C#N)cs1 1620621928 BEZVBHIIWFYGPU-HNNXBMFYSA-N 448.570 2.100 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)C2)cc1 1624814146 OKUBQBRTULYEDM-UHFFFAOYSA-N 425.510 2.321 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1626187847 KCOWDESTKXNQME-INIZCTEOSA-N 426.922 2.199 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1627067899 IOLRALQJCPZGRB-URXFXBBRSA-N 440.544 2.110 30 10 IEEE C=CCCC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1630274728 LNDZUEIFMJNVLP-UHFFFAOYSA-N 435.590 2.469 30 10 IEEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C(=O)OC(C)(C)C 1630305946 DQKXHFLRKFRGRS-UHFFFAOYSA-N 445.925 2.331 30 10 IEEE CN(C)C(=O)NCCN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1630687812 GXJPIFUFODRCDL-GOSISDBHSA-N 429.521 2.122 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](O)COc2cccc(F)c2)C1 1631286253 UWKPNWNPYGVREO-KRWDZBQOSA-N 448.292 2.452 30 10 IEEE C#CCN(C(=O)NC1CCN([C@@H]2CCC[C@H]2O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1633151856 WAXJBOZIUYGMFZ-NHCUHLMSSA-N 448.608 2.409 30 10 IEEE C#Cc1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1 1635840861 LVIRVEGJCBWBLS-FQEVSTJZSA-N 428.510 2.014 30 10 IEEE C=CCONC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1640821680 XFFXXOKUPKQYHK-UHFFFAOYSA-N 442.129 2.114 30 10 IEEE COc1cccc(-c2c(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n[nH]c2C)c1 1648283672 GOKPJSCJFGQKER-UHFFFAOYSA-N 439.497 2.461 30 10 IEEE N#Cc1cn(C2CN(C(=O)CCCCc3ccc(Br)cc3)C2)c(=O)nc1O 1648787680 VGNXCAYJCFFZOH-UHFFFAOYSA-N 431.290 2.379 30 10 IEEE C#CCOCCSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 1652412706 YYURPXWFGVOKRB-UHFFFAOYSA-N 443.550 2.029 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCC(C(=O)NCCCN2CCCCC2)CC1 1657880636 OZVYCIJPGPSUCA-JOCHJYFZSA-N 428.577 2.002 30 10 IEEE C#C[C@H](NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12)C1CCOCC1 1665156847 WOTCJGVTTJIUGS-LBPRGKRZSA-N 432.727 2.457 30 10 IEEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1671946434 FENOCQMGEDEJCN-QGZVFWFLSA-N 432.523 2.174 30 10 IEEE CN1CCN(C[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)c2ccccc2)CC1 1683882680 FFWAQCYFSSGJRX-HXUWFJFHSA-N 438.601 2.440 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1684226319 MEARFRSXABZJNZ-LOSJGSFVSA-N 446.599 2.222 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1689925897 DAPZIAFSPONELS-QGZVFWFLSA-N 447.543 2.051 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689980637 VLGJUOYQYWHVMI-HXUWFJFHSA-N 447.580 2.299 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1690025522 USHMWIGQMCXKQY-UHFFFAOYSA-N 433.512 2.180 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCOC)CC1 1690139604 UHQRSXNGBHNNLR-UHFFFAOYSA-N 440.504 2.246 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1690262740 LREPMUVPEJJKGP-UHFFFAOYSA-N 437.548 2.463 30 10 IEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1)c1ccccc1 1690442072 MBXSZICQYHVWLT-RTBURBONSA-N 438.532 2.417 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690467339 TXORIDZFAHPBNV-LJQANCHMSA-N 430.597 2.446 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690667998 PEZCDXRTLDVCKQ-UHFFFAOYSA-N 431.544 2.273 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2(C)C)C1 1690686985 WQSOORZYPKFIMS-HRCADAONSA-N 443.639 2.201 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COC)C1 1690700145 OEDZCOVQZOQRQA-WOJBJXKFSA-N 446.573 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](SC)C1 1690724156 JCVLTCDFKWIOED-IRXDYDNUSA-N 428.624 2.495 30 10 IEEE CC1(C)COCCN1CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1692869906 HGNGEDVWLKUUOU-GOSISDBHSA-N 430.940 2.438 30 10 IEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCC2=CCCCC2)C1 1698312101 AKRWIHATHLJSJM-LJQANCHMSA-N 448.593 2.241 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1705490545 MLIXJZBDBLNIOI-GYCJOSAFSA-N 447.543 2.172 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705559524 BWPAGKGPOJPHMT-OAHLLOKOSA-N 437.953 2.156 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC(C)C)C1 1705659297 QTMJXFQHSXBOFO-INIZCTEOSA-N 447.561 2.002 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705664437 PBKNLIMRVUICDF-IBGZPJMESA-N 443.621 2.249 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705707598 NZRZVXDUKFEGJA-GREBRCKQSA-N 447.580 2.016 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc32)CC1 1705762913 LGGMSVBWKVFLOV-QZTJIDSGSA-N 444.605 2.496 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O 1705838711 ZFJRNZDFBPBPCI-UHFFFAOYSA-N 432.319 2.018 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1705901755 VUUIUAMDSAACEL-UHFFFAOYSA-N 440.523 2.386 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705941504 LVZOLSQABGPSNN-AWEZNQCLSA-N 438.575 2.462 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2cccn2)c1 1706069524 DZTFFHLSSAGLJS-SFHVURJKSA-N 432.532 2.403 30 10 IEEE Cc1csc(CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1707728108 FNLCFTJIFZOECT-LZICOFPGSA-N 442.545 2.315 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCSC2)cc1 1711798767 BNYUOICICFVPQF-NHCUHLMSSA-N 431.537 2.382 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722324582 URJYUGQKNNETTA-MRXNPFEDSA-N 429.496 2.441 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722334249 VHJLCWNIJVCYAU-PMACEKPBSA-N 428.581 2.066 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCOC1 1722385327 DKEOGKHJVNQHMK-HXUWFJFHSA-N 435.311 2.388 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1722475325 SVPZRZURARIZNZ-PGRDOPGGSA-N 443.573 2.404 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1722519282 VRVYYFVTPUILML-MRXNPFEDSA-N 443.573 2.490 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722584322 SCXULZLGJKGAAH-QGZVFWFLSA-N 427.983 2.401 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1722668258 NSHXWVJTUYFJMP-UHFFFAOYSA-N 446.573 2.459 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722697597 NAVQGAVZZNFGSP-SFHVURJKSA-N 435.536 2.001 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)C1 1722719290 SKMVEIGLPGSMHL-CEXWTWQISA-N 438.594 2.311 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1722723759 DMNLHFFSBLUBGK-CQSZACIVSA-N 432.472 2.244 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722724582 AMRNFOPCYANOTA-MRXNPFEDSA-N 438.623 2.342 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)s1 1722728376 VCYVMPCZJHNTMO-ZDUSSCGKSA-N 443.982 2.181 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1725818565 HPABNSKAVLVNDZ-OAHLLOKOSA-N 427.459 2.275 30 10 IEEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1726771111 ACWVWJOJACETIT-VFNWGFHPSA-N 440.529 2.362 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)cc1 1730096216 KSDVZEROJXYOAB-UXHICEINSA-N 427.505 2.268 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)CC 1740554489 ZVSXRZXZIOYXAE-INIZCTEOSA-N 432.569 2.329 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(Br)ccc1F 1740638690 LTCOQNURDRRKGR-KRWDZBQOSA-N 444.308 2.446 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740646037 OYUVOHXFPLBQDA-RTBURBONSA-N 431.606 2.243 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCSCC1 1740677592 XREHUZUKEPTIFZ-IBGZPJMESA-N 442.564 2.057 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740701654 NXZGDUCWQTZANG-AVRDEDQJSA-N 446.555 2.455 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC2(CCC2)C1 1740709650 QASJOFBSAUXPLE-UHFFFAOYSA-N 426.546 2.299 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740760595 QIYKBQMYOGSILR-LAUBAEHRSA-N 427.553 2.045 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740951490 HBGJIOOFFKYGPE-HNNXBMFYSA-N 428.537 2.266 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740955027 VWJJQDJQWCMKHQ-ROUUACIJSA-N 426.477 2.303 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1741132570 IEZAHHCZWPAUEF-QGZVFWFLSA-N 438.557 2.453 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1741133735 UILMFEVGVZNVKE-PKOBYXMFSA-N 443.621 2.469 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1743177264 OYTRLRXGAAYTHM-SJORKVTESA-N 446.577 2.150 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1csc(C)n1 1747186088 GKPFZOISRQOHEX-UHFFFAOYSA-N 438.561 2.416 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1748751348 GJBYZRIJHGBBJV-GOSISDBHSA-N 443.552 2.370 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCOC[C@H]1C 1748959166 OKDJYKHIPQWBEA-LJQANCHMSA-N 436.560 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1749006865 ZNSIZDDBHMFLRG-UHFFFAOYSA-N 445.571 2.268 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1749043981 MSTVGRUEXZDFNQ-LJQANCHMSA-N 425.558 2.345 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C 1749137146 WKULTOAEEYDSFJ-MGPUTAFESA-N 447.971 2.405 30 10 IEEE CO[C@H]1COCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749238661 VVGFYSFKGYOIBS-BEFAXECRSA-N 440.548 2.453 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750035938 VLOMVHFBPPNYMO-QGZVFWFLSA-N 427.940 2.301 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@]3(CCSC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750735131 CGBIDXPTRYYGRG-IGCQWYOMSA-N 430.578 2.336 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760136855 LTUSABFYVOZJNV-QHAWAJNXSA-N 441.624 2.028 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCC1 1760194854 RSHMRJARPNRHTM-GOSISDBHSA-N 425.558 2.083 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760236063 HVXDJWXVNRAJPO-UHFFFAOYSA-N 432.528 2.239 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(C)cc2C1 1760281278 PTDRPTUXRCHVDZ-GOSISDBHSA-N 425.558 2.475 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)NC(C)C)CC1 1760384491 ZDIWETKCENOSGT-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1)C1CC1 1760470505 UVBDSFPQRNRBFZ-UHFFFAOYSA-N 426.912 2.193 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760517046 AWFSZBVRAJLSTD-GAJHUEQPSA-N 441.532 2.030 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2nccs2)CC1 1760552492 PVTWWKXYWMSBJL-UHFFFAOYSA-N 447.590 2.047 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760564733 GDJNDNJRUFXRJK-LJQANCHMSA-N 448.637 2.183 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCC(C)C)n1 1762455665 VVQFNWGIEHAJQM-NRFANRHFSA-N 440.596 2.379 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1OC 1765980405 DLIOZBNQAMQKSP-FCHUYYIVSA-N 442.495 2.273 30 10 IEEE CN(C)C(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1766859239 GEAZDKFTVYSSBM-UHFFFAOYSA-N 434.342 2.264 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCCO1 1767087947 KVZXEXIDBLEPEY-PMACEKPBSA-N 438.532 2.323 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1767625134 APQIDRIJPXXXSC-FDDCHVKYSA-N 438.532 2.118 30 10 IEEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1769699843 BOZTVZORPZVEOD-QFIPXVFZSA-N 444.511 2.127 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1770160140 RXJYAMNIHBWVGY-UHFFFAOYSA-N 439.438 2.373 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1770433117 WIDXHYZKTPAITJ-OAHLLOKOSA-N 426.546 2.291 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1)OC 1770778641 AZJYIGLAEHJZJY-ORYQWCPZSA-N 441.532 2.394 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1770789256 ZIZVJUASBZUNAE-IBGZPJMESA-N 436.495 2.226 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cc(C)ccc1OC 1771304606 DQBCXACZGDNEOV-ZJOUEHCJSA-N 441.532 2.291 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C(C)C)cc1C 1772792787 OMWFMQBBGDOQAC-GOSISDBHSA-N 430.482 2.361 30 10 IEEE CS(C)(=O)=NCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1851489578 NTIUATHARRJPDV-UHFFFAOYSA-N 439.541 2.187 30 10 IEEE COCCn1c(C)cc(C(=O)COCCN2CCN(c3ccc(C#N)cn3)CC2)c1C 1851669092 VIVWEUCQSSWUNH-UHFFFAOYSA-N 425.533 2.040 30 10 IEEE CC(C)[C@H](C(=O)Nc1ncc(C(F)(F)F)c(C#N)c1Cl)N1CCS(=O)(=O)CC1 1851702005 FJZLEYYNJBYTFQ-CYBMUJFWSA-N 438.859 2.319 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N=c3[nH]n(-c4ccccc4)cc3C#N)CC2=O)c(OC)c1 1852564515 UDRPBFHSFAZYJS-OAHLLOKOSA-N 431.452 2.175 30 10 IEEE CCN1CCN(CC(=O)N(Cc2ccccc2)c2c(C#N)c(C(F)(F)F)nn2C)CC1 1853401305 NRSJJRHANAPZCN-UHFFFAOYSA-N 434.466 2.481 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2=O)cc1C#N 1853755198 KEUYKTCOFAZFPF-UHFFFAOYSA-N 435.864 2.333 30 10 IEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)nc1 1858293033 BKXHPOLBTAOFGU-UHFFFAOYSA-N 439.478 2.427 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)c1 1862555146 AJZRTRBHUYTCET-FQEVSTJZSA-N 425.460 2.318 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867175223 FDEQUJOJBXJLSY-IBGZPJMESA-N 430.468 2.085 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC2CCCCC2)cn1CCNC(C)=O 1870575350 DSCAAWGTBXWSBJ-UHFFFAOYSA-N 445.560 2.413 30 10 IEEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597431 ZMRYQRNJYRLOHJ-UHFFFAOYSA-N 428.537 2.063 30 10 IEEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872637283 USPRVIHZJWHVPB-UHFFFAOYSA-N 427.486 2.252 30 10 IEEE C[C@@H](C#N)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883385895 GHHIJGRNNFISFY-DJJJIMSYSA-N 428.466 2.305 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cncc(-c4ccccc4)n3)CC2)cs1 1890766096 BSBJZJINTYBZFO-UHFFFAOYSA-N 434.525 2.478 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(n3ccnn3)CC2)[C@@H]1c1ccc(C#N)cc1 1892110877 FCYFHCMDBZSUDV-SFTDATJTSA-N 438.557 2.407 30 10 IEEE C=CCC1(N[C@@](CF)(CNC(=O)OC(C)(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 1904620084 XVNFFFQQFMNONR-FQEVSTJZSA-N 431.505 2.459 30 10 IEEE CC1(C)OB(c2cncc([C@H](CNC(=O)OCc3ccccc3)C(=O)O)c2)OC1(C)C 1951974159 KRNOLMQBELBKDQ-SFHVURJKSA-N 426.278 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060624471 YKKGOBXYADYRRK-IFSBAMAHSA-N 436.358 2.467 30 10 IEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060635433 LWBGXYSBHPRIPY-QGZVFWFLSA-N 433.358 2.379 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OCC12CC2 2064050813 IYVSXOSELDGDBN-UXHICEINSA-N 440.544 2.391 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(c3cc(Br)cnc3C#N)CCN2C1=O 2174715843 QJLNNHYWNVOARV-CHWSQXEVSA-N 436.310 2.030 30 10 IEEE N#Cc1cncc(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c1 2174789144 MXWVQLVVOJEGCG-IBGZPJMESA-N 426.498 2.423 30 10 IEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCOCc2ccccc2)OC1(C)C 2243439258 PYKZRHRSIAZMKS-UHFFFAOYSA-N 438.380 2.079 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2249539117 GFPLHGKNGKNJOG-BTYIYWSLSA-N 442.557 2.356 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618167 GRNMNDYAMZBDFN-CQSZACIVSA-N 434.346 2.038 30 10 IEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)ns2)OC1(C)C 2255635749 KWICREMYRCRYJH-LLVKDONJSA-N 447.288 2.116 30 10 IEEE Cc1ccnc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824174 CJQRXMCYLZAWRM-CABCVRRESA-N 431.342 2.332 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255824379 GYXZGTYQOILFCE-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825718 DRZBZWVFTCVSDD-UHFFFAOYSA-N 436.362 2.426 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255886546 KICGUZCLSGWEHU-MRXNPFEDSA-N 431.342 2.462 30 10 IEEE Cn1ncc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267012207 QOAVVYLRWBVBNQ-CQSZACIVSA-N 448.373 2.237 30 10 IEEE Cn1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267121235 VLTHVPYCKDXJMM-LJQANCHMSA-N 438.381 2.360 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267134978 WWUZWISGCJOQOG-GOSISDBHSA-N 438.381 2.456 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC1(NC(=O)OC(C)(C)C)CC1 2267135842 BLELSVGQNAMKRQ-UHFFFAOYSA-N 448.373 2.332 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267176939 HHTLJMHUGNNOSY-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CC[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267180398 DHQXLUZQILHHFV-IBGZPJMESA-N 438.381 2.456 30 10 IEEE Cn1cc(C(=O)N[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267187713 BZGYQVALPLVUHQ-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2267219177 BTWVDINSPFXIDU-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267596725 LJJJVZDASDFTPW-HZPDHXFCSA-N 445.369 2.402 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2268792938 WMHQXLKNOKYAQU-GOSISDBHSA-N 446.353 2.151 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269076591 WSYOSRPHINUWGP-MAUKXSAKSA-N 440.305 2.169 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)c1 2296944957 UKNLCPFHLKURGV-IBGZPJMESA-N 442.424 2.034 30 10 IEEE CNC(=O)[C@H]1CN(C(=O)NC)C[C@@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 2297649849 DGAUDBLRNZEWTD-SJORKVTESA-N 437.466 2.427 30 10 IEEE COc1[nH]c(=N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2317504402 YRHUBMZIUQHYSS-XOIINTDNSA-N 431.342 2.089 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2)cc1OC 2326183120 TZAQATXKBIIYKS-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 2330471747 KXAZUEZWRYXVPP-UHFFFAOYSA-N 427.486 2.051 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NCCC#CCO 2343616465 SUVQRWMBVGLLDT-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE CC(=O)c1ccc(NC(=O)CCSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20915473 VMJNMLSSOCRECQ-WSDLNYQXSA-N 439.501 2.467 30 10 IEEE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 33386004 WFYVVJNOLZYVIW-HNEYUBDGSA-N 445.614 2.317 30 10 IEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(/C(O)=N/C[C@@H]2COc3ccccc3O2)CC1 34858548 VVTVWKRSTPIDLB-MRXNPFEDSA-N 434.518 2.224 30 10 IEEE C=CCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCN(c3ccccn3)CC2)C1=O 170051249 AGBQNOJYYONYAM-UHFFFAOYSA-N 431.496 2.128 30 10 IEEE COc1cc(CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)ccc1C#N 427141536 DDUOLNZJPSBTKI-DEOSSOPVSA-N 430.464 2.325 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 432430554 LZKQCJJZFKHWDA-UHFFFAOYSA-N 429.452 2.707 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)c1 438903367 VTOIZPLJWVEDMG-UHFFFAOYSA-N 429.498 2.031 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CC1 443349683 VKDHCLPKKMQRDG-UHFFFAOYSA-N 432.908 2.197 30 10 IEEE N#Cc1cc(F)c(C=c2sc(=CC(=O)C3CC3)n(Cc3nccs3)c2=O)c(F)c1 447416196 FUAFLXORIZVMKC-UHFFFAOYSA-N 429.473 2.153 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 461373608 JYLPRNUOCLNNGQ-IBGZPJMESA-N 440.565 2.353 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 463470221 PKJHDOXSHPXXAA-LJQANCHMSA-N 449.393 2.173 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C 469186195 XITBXTVXHAQTKI-AUUYWEPGSA-N 428.514 2.249 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCSC[C@H]1CCO)CCCC2 470213512 ITDOORLWQSLDCM-IAGOWNOFSA-N 432.590 2.156 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2ccnn2C)c1=O 505694321 MBWOKZBZEWKONA-UHFFFAOYSA-N 444.438 2.234 30 10 IEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508954991 ZGCXIRRYSQBEIC-PXNSSMCTSA-N 439.516 2.052 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3C)n(C3CC3)c2=O)c1 538497943 YRSZEIPUDWABHA-UHFFFAOYSA-N 446.532 2.407 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)CC2)n1 545542099 HQPNLCCOWGEJCR-UHFFFAOYSA-N 434.525 2.434 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C[C@]2(CCOC2)O1 549487499 WOBUBKZHASZRBM-MONBJTKQSA-N 439.516 2.292 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 549692950 YKCKTSIKRJFYKU-UTKZUKDTSA-N 436.560 2.320 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)cc1 554309850 HIGBGDPCQSZOST-SFHVURJKSA-N 426.439 2.374 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 590089851 KBMRHNBMUUMZBU-FQEVSTJZSA-N 433.555 2.458 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 603798247 LIPWLDNLYGGXSV-INIZCTEOSA-N 437.546 2.292 30 10 IEEE C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1cccc(C#N)c1 610386802 MLAYCMUJNORELV-KXBFYZLASA-N 441.509 2.327 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O 730137794 AHBXMXVVDDDAJM-INIZCTEOSA-N 435.550 2.482 30 10 IEEE COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OCC(F)(F)F 732417248 CYOANFDYMRLLIT-FOCLMDBBSA-N 428.367 2.284 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 748064878 BZKQTPOMOZZAMD-UHFFFAOYSA-N 425.554 2.033 30 10 IEEE Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 748813467 VUIVRULVKHDSDV-UHFFFAOYSA-N 430.921 2.313 30 10 IEEE C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 755058945 GYMMDPFVZAJXRQ-WHBPPDGWSA-N 439.285 2.345 30 10 IEEE C=CCn1c(-c2cnccn2)nn(CN2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c1=S 755791261 VQSVPPSBFIUXGZ-DFNIBXOVSA-N 440.621 2.257 30 10 IEEE Cc1cc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)ccc1NC(=O)C1=S=CC=C1 759183267 MHMPVCDVWLTLNJ-UHFFFAOYSA-N 425.491 2.202 30 10 IEEE Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 764216442 HWVFYYMATMZKAN-HTXNQAPBSA-N 444.289 2.199 30 10 IEEE C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 767700846 UEFAJDZCAUXMNY-SJORKVTESA-N 438.546 2.488 30 10 IEEE CCn1nccc1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 769851840 DFZVDYSKVJFGMX-FXBPSFAMSA-N 439.563 2.297 30 10 IEEE COc1cc([C@H](C#N)NC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 782554947 GTKMNKYSECHQBI-HNNXBMFYSA-N 449.504 2.419 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(I)cc2)n1 788814932 JHYNLEWQTMPDRA-UHFFFAOYSA-N 437.281 2.339 30 10 IEEE Cc1cc(C)c(N2CC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)c(C)c1 789323001 HMVRSFZPCICUMU-FQEVSTJZSA-N 439.537 2.320 30 10 IEEE Cn1nccc1C=Nn1c(-c2cccc(S(C)(=O)=O)c2)csc1=NC[C@H]1CCCO1 789965825 BLMNGMMQVOVJSP-QGZVFWFLSA-N 445.570 2.316 30 10 IEEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cncc(Br)c1 789968557 PWQZRCYLGAZSNK-NSHDSACASA-N 436.339 2.320 30 10 IEEE CN=c1scc(-c2ccc(S(C)(=O)=O)nc2)n1N=Cc1cnn(-c2ccccc2)n1 794845896 GHMGMVVTLHINSK-UHFFFAOYSA-N 439.526 2.009 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n1 796410479 CXKQWYFASJIHFD-RKVPGOIHSA-N 443.529 2.293 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)ccc1OC 806805129 RKDCJEALEVSGJS-AWEZNQCLSA-N 428.411 2.292 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)cc(OC)c1 1084636189 IVLFOKZSGUHNCD-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE COc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccccc3O)n2N)c1 1084638978 RPAPNXJUQGBKOW-UHFFFAOYSA-N 427.490 2.273 30 10 IEEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1131219728 CUDKHBLVFPHRBQ-UHFFFAOYSA-N 440.544 2.027 30 10 IEEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OCC 1132192879 SFZPSGFGJOLEGY-PBHICJAKSA-N 446.928 2.417 30 10 IEEE Cc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)c(C)c1 1148528428 CTMXULRFNWIQAI-UHFFFAOYSA-N 426.542 2.376 30 10 IEEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2OC)ccc1Cl 1159761666 HLEHSPLQSYZAPJ-OAHLLOKOSA-N 448.928 2.454 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCC[C@@H](C(=O)OCC)C1 1165347084 YQTLVTGRGVATMP-GOSISDBHSA-N 449.621 2.386 30 10 IEEE C=CCC1(C(=O)N2CCC[C@H](n3nncc3I)C2)CCOCC1 1175732424 KMKOLFXLEPZUSF-ZDUSSCGKSA-N 430.290 2.419 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(C#N)c1 1179041632 AINXWZQIOKEMLS-NSHDSACASA-N 433.287 2.498 30 10 IEEE N#Cc1sccc1N1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 1192484174 HZMJEWXOQIVUSL-KRWDZBQOSA-N 436.603 2.253 30 10 IEEE CC(C)(C)OCCCN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1248375752 OADDGXMEEVQHTI-NRFANRHFSA-N 441.576 2.192 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCCN2CC)CC1 1286490404 TXYZMLVKAGVWFG-HXUWFJFHSA-N 437.592 2.124 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286557187 HMMRFXDGEUELAS-WIYYLYMNSA-N 425.533 2.490 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](COCCOC)C1 1286560644 HIRZKXAYVLXOOY-HBFSDRIKSA-N 428.537 2.206 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1286561968 DFDPRHDHTIVSPD-PZJWPPBQSA-N 439.564 2.097 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1)C1CC1 1286737336 NQTFSXDBUITHDB-UHFFFAOYSA-N 436.560 2.500 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](C(N)=O)C1 1286782094 KBFKJRKJNWGAON-MRXNPFEDSA-N 442.589 2.279 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286790709 JNMQJHJOSKBWBK-UHFFFAOYSA-N 445.656 2.164 30 10 IEEE CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1286981846 LESKBSDYQUWPPL-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2CCCn2cnnn2)cc1C 1289733554 VAPDELZTQKWDCN-UHFFFAOYSA-N 448.535 2.354 30 10 IEEE CCc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1292999382 OOGXPMKYXVYZJT-LPDVDTIWSA-N 439.347 2.387 30 10 IEEE Cc1ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)cc1B1OC(C)(C)C(C)(C)O1 1293333661 STEABABDHFPZNQ-UHFFFAOYSA-N 442.346 2.145 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCNC(=O)C2CCC2)CCOC1 1296591431 LNHRXXPMZWWFCS-HSZRJFAPSA-N 444.580 2.367 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1299683129 DEJCTBHOAQWIKD-RDTXWAMCSA-N 426.521 2.378 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(OC)ccc3Cl)CC2)c1 1300264059 AFGMORPIQDGUGV-UHFFFAOYSA-N 447.944 2.223 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1300357646 SVKRPWLXANKRQB-UHFFFAOYSA-N 442.545 2.268 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1301267834 BIGZCXYGQFMSFQ-UHFFFAOYSA-N 437.479 2.046 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1301270146 CPXCRUTYYNZLKC-LBPRGKRZSA-N 428.356 2.483 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1301589284 QAJQVJGSNBNAGP-IXDOHACOSA-N 426.583 2.023 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCc1cnn(C)c1 1302293349 LBULQMOCKHEIPQ-CNNODRBYSA-N 427.553 2.498 30 10 IEEE N#Cc1cn(C2CN(C(=O)CCc3cccc(OCc4ccccc4)c3)C2)c(=O)nc1O 1305590960 JECOEIAMATWNPU-UHFFFAOYSA-N 430.464 2.416 30 10 IEEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1305595457 RGVBVSKKTYCGMP-INIZCTEOSA-N 436.520 2.422 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CCO1 1306408877 FIGBCKYKRLPWOY-OAQYLSRUSA-N 437.592 2.458 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OCC)ccc2Br)C1 1309843798 KYTZVUVFQFGDOR-AWEZNQCLSA-N 429.336 2.002 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1313704151 HGAZNROLGONXGU-QGZVFWFLSA-N 425.537 2.195 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1314553168 PJRUJAXGZYDMRN-GVDBMIGSSA-N 440.614 2.264 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1315827353 WYEKWAIDFXZARR-SFHVURJKSA-N 444.511 2.018 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nc(C)c(C)s1 1316205514 GOFYFKQCTYJDSA-MAUKXSAKSA-N 445.593 2.300 30 10 IEEE Cc1nn(-c2cccnc2)nc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1355668008 BHYKRGDXVDDWLN-XIEYBQDHSA-N 439.501 2.036 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358960286 AWTGHHBQVWCFFP-GOSISDBHSA-N 427.505 2.282 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1358962006 ILUPQZSQDADLNR-OXQOHEQNSA-N 434.587 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC=CCC1 1358987795 SJXKXGIZSKRLSC-UHFFFAOYSA-N 437.569 2.073 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1359000736 DBHFAYPRYRTFPE-MBSDFSHPSA-N 427.549 2.343 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCC=C)CC1 1359031652 KHDQABZHEAJCHE-UHFFFAOYSA-N 427.574 2.460 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1359095907 UGLRTXGIGULHFB-UTKZUKDTSA-N 443.523 2.360 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1359132898 HUZUGQGHJHZFDH-NRFANRHFSA-N 443.548 2.152 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1359133789 ZHLMSAMTNBCUJM-QFBILLFUSA-N 428.489 2.383 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOC)C1)c1ccccc1 1359137216 JBNZOYWXQLJOFF-FQEVSTJZSA-N 425.533 2.469 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359200574 KLQNJRGEEUPRCF-GOSISDBHSA-N 425.537 2.407 30 10 IEEE C=CCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290963 YJXJZUOBEYJYDS-NCOADZHNSA-N 430.553 2.197 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(C#N)o2)CCOC1 1360320352 AGTJNVAMHWUXNZ-JOCHJYFZSA-N 444.536 2.183 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)c1 1449225452 SAIGYULTYZAWEP-SFHVURJKSA-N 435.546 2.378 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cnn(C)c1I)c1ccc(Cl)cc1 1463834527 SIEFCDXEECCEEL-LLVKDONJSA-N 435.674 2.331 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1465909825 OCLKYGTYXZQAKN-UKRRQHHQSA-N 442.896 2.307 30 10 IEEE C=CC(C)(C)CNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1468945858 GPABAHLYSWMRRN-UHFFFAOYSA-N 425.551 2.368 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1469533745 FLQBEMADPHDCFM-QGZVFWFLSA-N 432.571 2.148 30 10 IEEE COc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)nc1I 1469871670 FTKCRFNGVJWSJN-AWEZNQCLSA-N 437.237 2.372 30 10 IEEE CC[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1471958282 LYFUDZCNIUOQIM-RDJZCZTQSA-N 428.489 2.247 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1c[nH]nc1C 1499328121 CFUKCFMQQZOGQT-HXUWFJFHSA-N 448.531 2.108 30 10 IEEE COCCN(CCC#N)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)F 1504886173 DBYYAFMXZGDIIB-UHFFFAOYSA-N 445.471 2.167 30 10 IEEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507775857 YHXMINVEEBWSHA-ZDUSSCGKSA-N 425.331 2.077 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2oncc2C1 1507847034 DRBDTUYRBLEHDR-UHFFFAOYSA-N 428.518 2.413 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1508062125 OXVYUXIXDVWZQW-UHFFFAOYSA-N 429.569 2.187 30 10 IEEE Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C)n2Cc2ccc(C#N)o2)CC1 1511074253 QOAMILNWBZPBDM-UHFFFAOYSA-N 433.516 2.477 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513149877 HGDKDEDROCITDO-HZPDHXFCSA-N 425.537 2.047 30 10 IEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1)OC 1513456507 ZCYGHYOPZCZCOJ-HXUWFJFHSA-N 440.548 2.221 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1515392674 DGRGIXADPFEITJ-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnn3)cc2)cc1 1527274746 XNMRRDMXOXJIDK-GFMRDNFCSA-N 438.513 2.392 30 10 IEEE C=CCn1cc(CNC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)nn1 1529264615 FOMMSNCWXHUGEO-GOSISDBHSA-N 445.321 2.072 30 10 IEEE Cc1oc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1S(=O)(=O)N1CCCC1 1531919428 GKADAIZKCYTSAL-UHFFFAOYSA-N 440.485 2.136 30 10 IEEE CN(C)[C@@H]1CCc2ccccc2N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1532153308 WTOBEIDOIOCPPS-LJQANCHMSA-N 426.542 2.402 30 10 IEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1539050025 XDOTVBKEEYFQIH-UHFFFAOYSA-N 442.383 2.330 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539059100 BCQXECRHEPQNLC-KRWDZBQOSA-N 431.562 2.275 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539133180 FVGBCRNOKQTLPP-UHFFFAOYSA-N 431.562 2.051 30 10 IEEE C#CCCCn1c(N2CCO[C@H](c3nnc(C(C)C)o3)C2)nnc1[C@]1(OCC)CCOC1 1539140628 PWRBOFOBDGHVQW-JTSKRJEESA-N 444.536 2.428 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539204661 BBSFGMAGGHBSCP-YSIASYRMSA-N 430.574 2.482 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cn(C)nc1-c1ccccc1 1539331011 GMHFGDYQUJMLGT-UHFFFAOYSA-N 441.539 2.312 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCOCC1 1539346798 KCPQJNCYZUZSTR-MRXNPFEDSA-N 449.397 2.474 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@H](C)CC 1540052131 YEYAOENLHYTJLO-OAHLLOKOSA-N 447.609 2.474 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1541111051 DFJPYBVHTBQVME-QGZVFWFLSA-N 435.532 2.395 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(Cl)c3c(c2)OCCO3)s1 1544040250 VXGJEUVUZUUVAQ-UHFFFAOYSA-N 442.946 2.496 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)NCCNc3ncccc3C#N)CCC2)CC1 1544056765 ZPIOWWXTQJHKRT-UHFFFAOYSA-N 443.548 2.414 30 10 IEEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cs1 1546386791 BUNJGMADORENPG-UHFFFAOYSA-N 437.529 2.074 30 10 IEEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cn1 1547617371 DNUUCKYBKLYHHZ-LJQANCHMSA-N 432.532 2.386 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1COCCO1 1555545501 FTPCUXYKKAWYEN-QFIPXVFZSA-N 448.527 2.204 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](CF)c3ccc(F)cc3)CC2)cc1 1565243029 QRTPVFLWCCGOJK-LJQANCHMSA-N 434.468 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1587600094 ULNNHNWKRWYGBB-FHWLQOOXSA-N 433.564 2.499 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1587856858 SWKBLTQBFPMZJX-KRWDZBQOSA-N 430.530 2.349 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC1CC1 1587909681 QMYSHPKTTYCYDO-INIZCTEOSA-N 431.562 2.103 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588432566 BRSRDZJVEFJJCH-IBGZPJMESA-N 448.579 2.100 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(O)CC2)CC1 1588790786 BVIYWCACCSJCGE-UHFFFAOYSA-N 425.533 2.023 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1588811427 IYBMKZASWOPPTN-BDTNDASRSA-N 428.625 2.295 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1589590409 WHZQQVPLTKLRLU-QZTJIDSGSA-N 426.631 2.411 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1593671774 QUFMQIZDSLOTET-INIZCTEOSA-N 437.541 2.338 30 10 IEEE C=C(C)Cn1c(N(C)CCS(=O)(=O)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593683428 KYWORLVIXSBNJQ-IYBDPMFKSA-N 441.598 2.496 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1594209023 QCRRHSCSPVICPY-RBUKOAKNSA-N 446.573 2.291 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1594824895 RWWGTPUBGVCDTP-UHFFFAOYSA-N 433.582 2.078 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1c[nH]c2ccccc12 1595466993 ORBPICJBSAHWAO-UHFFFAOYSA-N 435.532 2.324 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595490670 WRKGPIBPZCPDKL-IRXDYDNUSA-N 428.924 2.148 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1595544578 KPHGKWHBAYKUDH-MSOLQXFVSA-N 446.596 2.201 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)Nc2ccc(F)cc2OCC#N)C1 1595937067 ACTDTEKWHACVLP-CQSZACIVSA-N 441.481 2.091 30 10 IEEE CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1598333068 BBNOLNINIQJFMY-OAQYLSRUSA-N 430.512 2.240 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603604536 IMZSENWIGGBHMO-VEGAHXMMSA-N 442.564 2.398 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 1612911221 LZZKWBJIFZCSLA-OALUTQOASA-N 437.592 2.456 30 10 IEEE C[C@H]1COCCN1c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1613002445 RICSDTHFULIBGO-AOMYARPXSA-N 442.907 2.350 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C[C@H]1CS(=O)(=O)C2 1617488355 XHDRIUSGNXCQPV-XOBRGWDASA-N 427.438 2.397 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\C(=O)c3ccc(C)cc3)CC2)cc1 1618209690 OJULTQFYWOQGOH-QXMHVHEDSA-N 428.510 2.276 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)CCO1 1619753922 GSYSTXGNBIGEEQ-NFBKMPQASA-N 441.532 2.395 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 1622976766 FBMOAUARGOINRA-NRFANRHFSA-N 438.549 2.447 30 10 IEEE C=CC1(CC(=O)N2CCC(N(CCOC)CCOC)CC2)CN(C(=O)OC(C)(C)C)C1 1623601647 SAWSXEMJTJSDEP-UHFFFAOYSA-N 439.597 2.385 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(N3CCOCC3)nc2)CC1 1624759960 DKFKJSJXLCQIMV-UHFFFAOYSA-N 428.533 2.185 30 10 IEEE CO[C@@]1(C(F)(F)F)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1625089032 NEHPUHXMEVQIIK-SFHVURJKSA-N 445.463 2.139 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1627894128 PRZVRHWRNARYHO-QAPCUYQASA-N 437.562 2.421 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1 1633309375 KLTYVVIJLQGDTG-GOSISDBHSA-N 449.573 2.460 30 10 IEEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1634240753 UYKXYRWRKCJRDV-SFHVURJKSA-N 430.505 2.418 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3s2)CC1 1643372486 NQMFHMDLTGQTFE-UHFFFAOYSA-N 431.461 2.146 30 10 IEEE C=CCn1c(SCC(=O)N[C@@H](CO)CC2OCCO2)nnc1-c1ccc(Cl)cc1 1643835959 VFJFVHSIBFJTLC-OAHLLOKOSA-N 438.937 2.117 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc2nsnc12 1644655438 CQKWTWWBYRNSTN-MRXNPFEDSA-N 443.554 2.461 30 10 IEEE N#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C(F)(F)F 1645010484 WRGCCALVQBQUSM-MRXNPFEDSA-N 427.404 2.445 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652071387 WLERAYQUOLIPJE-HXUWFJFHSA-N 442.560 2.311 30 10 IEEE COc1cc(CN2CCS(=O)(=O)C[C@H]2CCO)ccc1OCc1cccc(C#N)c1 1654857085 SUSKMCCVAANWST-HXUWFJFHSA-N 430.526 2.127 30 10 IEEE C#CCN(Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1657421315 VYUBQRQTXNUYFS-CQSZACIVSA-N 425.576 2.059 30 10 IEEE Cc1cc(Br)ccc1CS(=O)(=O)N(CCC#N)CCN1CCOCC1 1661951009 CVOORBFGRUVGJA-UHFFFAOYSA-N 430.368 2.135 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)CC1 1668807502 HJXVJKSGQCQAKM-UHFFFAOYSA-N 442.360 2.209 30 10 IEEE C#CCN(C)CCCNC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1 1681597997 LDNTZHUEUXBENJ-ZWKOTPCHSA-N 436.350 2.302 30 10 IEEE C#C[C@H](NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1681725283 YLJIPLZWRKMISP-OTWHNJEPSA-N 447.580 2.221 30 10 IEEE CNC(=O)[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)Cc1ccc(F)cc1C 1682269524 RHYLEDHJYIAHHF-AZUAARDMSA-N 439.491 2.168 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)[C@H]2C1 1686626809 QOGXTCJTAVJSPJ-VXNCWWDNSA-N 426.521 2.404 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1690077737 VTVQKWNABODLAH-AZUAARDMSA-N 445.589 2.264 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690322184 XLKWQNNOIYCYNG-ZJOUEHCJSA-N 447.580 2.186 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1690481619 KRXLJCIPQZLQSB-MRXNPFEDSA-N 435.532 2.308 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1690724458 PNJMGMIETCOWIZ-UYAOXDASSA-N 446.573 2.269 30 10 IEEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1692352982 ARVZWQRJNAMVCJ-GOSISDBHSA-N 433.520 2.395 30 10 IEEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1692425276 CXPPZVDYFGKXRW-OAQYLSRUSA-N 429.546 2.400 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCCN1CC 1696332426 PDLHHBDDEOAKPF-HXUWFJFHSA-N 438.580 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOC2=O)cc1 1705584963 FMGVJFJHHNGSGY-UHFFFAOYSA-N 443.511 2.217 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSc1ccc(C)cc1 1705628605 LHCOBJKFSFMGGU-SFHVURJKSA-N 448.614 2.367 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCSc2ccc(C)cc2)CC1 1705642132 IGUFRNYPXWKWNW-UHFFFAOYSA-N 438.601 2.256 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CCNc2ncc(Cl)cc2Cl)CC1 1705642918 MGBWPIVEDIPYAM-UHFFFAOYSA-N 438.363 2.384 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705738157 NHVWHJGBXZGKEO-QHCPKHFHSA-N 425.533 2.351 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(OCC(F)(F)F)nc1 1706069401 BVUADEILPFCBKT-ZDUSSCGKSA-N 439.442 2.397 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1Cc1ccc(C#N)o1 1706854679 MBHLOTYSAKLTCP-CYBMUJFWSA-N 432.481 2.177 30 10 IEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cs1 1707299261 ONRMQLXUZPWOMD-UHFFFAOYSA-N 443.554 2.382 30 10 IEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](F)COC)cc1OC 1709859707 JXESSSUIDMDEMI-IRXDYDNUSA-N 433.484 2.456 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1710053936 DHKCEYNYUSMGME-IBGZPJMESA-N 444.605 2.420 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1710094586 AXSHPSDTTGNDHR-QGZVFWFLSA-N 439.545 2.011 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(C)C)C(C)C)CC1 1711410149 HVNVIAGUFCIHHM-UHFFFAOYSA-N 438.580 2.397 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CC=CCC1 1712454539 OVEKLZPKFHNSRI-OAQYLSRUSA-N 438.532 2.419 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1722338011 CZXRMTFRGSHRLL-UHFFFAOYSA-N 437.544 2.436 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1722368117 ZEMWVXISMDHYMG-IBGZPJMESA-N 427.574 2.327 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722375531 NMGBBLYMPYMHFX-RBUKOAKNSA-N 441.557 2.124 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2scnc2C)CC1 1722448758 HAKGZXFBUWVFEV-UHFFFAOYSA-N 449.584 2.237 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1722492072 PUVNDXJPNLOUCR-SUMDDJOVSA-N 449.577 2.212 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722629391 PZRKRBSUURUFFM-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722692275 YLGRCGYNHYXZIE-HNNXBMFYSA-N 432.598 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722692996 APWUUNGLKGXYKG-KDOFPFPSSA-N 426.477 2.159 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722719519 VKTXLYOKHRVEDT-IRXDYDNUSA-N 442.507 2.394 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722752160 XDJSZDMXXAILAI-MSOLQXFVSA-N 447.605 2.473 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1726771112 ACWVWJOJACETIT-YCRPNKLZSA-N 440.529 2.362 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)cc2C)CCOC1 1728814853 AFQCMQXEAZWCOS-REWPJTCUSA-N 440.548 2.082 30 10 IEEE CN(CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1729517946 DXECHSUPYYIGAG-IBGZPJMESA-N 446.515 2.181 30 10 IEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCCCN2CCCC2)cn1 1729571847 BBBBQAIXEJJNAP-HXUWFJFHSA-N 426.569 2.454 30 10 IEEE COC1(C(F)(F)Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1729908254 SCJISGXQNJHRGY-WMLDXEAASA-N 429.443 2.055 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1730850597 IAPBYDVEYWZEIF-KNKQGSTJSA-N 434.585 2.100 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCSCCCO)c1 1731179353 RCIYWHOTVQAGKR-LJQANCHMSA-N 440.573 2.133 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1740531238 HUXRWTUSEOCMLB-VLIAUNLRSA-N 433.965 2.187 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740623415 SWLHIIKNINHZRL-CDMIOBSGSA-N 445.589 2.072 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1740625709 HSKBSVLZYCSMIV-SFHVURJKSA-N 440.573 2.189 30 10 IEEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740646033 OYUVOHXFPLBQDA-MOPGFXCFSA-N 431.606 2.243 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCCOC)cc2)CC1 1740695900 HBTDNNOLPQJSIS-OAQYLSRUSA-N 439.560 2.001 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@](C)=O)cc1 1740723352 OAWRUYBMAYMMAI-RCRUUEGKSA-N 427.574 2.335 30 10 IEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740779053 LYZKDSDZXCKOJB-AWEZNQCLSA-N 433.475 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740957075 AKACJWJMBYDNTA-QGZVFWFLSA-N 435.507 2.497 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1741002096 FYFKRXOFJYZROR-ROUUACIJSA-N 439.651 2.164 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCOC1 1741798686 DESDZFOWQSXQBB-HOTGVXAUSA-N 431.566 2.403 30 10 IEEE CC[C@@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)OC 1743539505 ABLPHBGFACRJGT-APWZRJJASA-N 447.561 2.025 30 10 IEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)N1CCCC1 1744123642 BNRMDWSGKOLWFK-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCCC1(C)C 1748784343 KLBDFMSEMNOYGN-NRFANRHFSA-N 430.578 2.249 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1748822068 XAGWADAXVNMIFO-GOSISDBHSA-N 448.568 2.049 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1748929878 RLMAZRRWZWTLNI-LJQANCHMSA-N 442.589 2.073 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749238879 CPFINUBUYQUZFL-AEFFLSMTSA-N 429.496 2.304 30 10 IEEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749346569 GKJWJWDYFMOVDF-QGZVFWFLSA-N 444.511 2.320 30 10 IEEE COC[C@@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC#N 1749350043 IOGZLQFGRBCRKY-ZFWWWQNUSA-N 437.545 2.270 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1749530239 VZPKLGWNARMEMP-NRFANRHFSA-N 429.546 2.015 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1sc(C)nc1C 1750154390 MYTIILJYGFGOSP-JZXOWHBKSA-N 432.550 2.047 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1760100407 VIBWGUNLSVDZBG-MWTRTKDXSA-N 438.532 2.332 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(C)c1 1760164856 BOHFJWCUWXBNOX-HSZRJFAPSA-N 425.533 2.127 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC(=O)N(C)C)CC1 1760254260 SCCWZRKYXKBQKC-SFHVURJKSA-N 442.539 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2C)CC1 1760268827 QCMWVJPLBGYQKJ-UHFFFAOYSA-N 429.528 2.366 30 10 IEEE C=C(Br)Cn1c(CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760308338 ATGYBESEYFYZOW-RHSMWYFYSA-N 439.402 2.128 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)C1 1760315731 IIKSGCXVKKLHET-QINHECLXSA-N 429.496 2.475 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1760331697 LMRJSUSLOZFGAT-JOCHJYFZSA-N 441.557 2.445 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C(=O)NC)CC1 1760384275 QRFCQBYBYZFEEZ-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sccc2C)CC1 1760389434 KLVAURXGCUIZSO-MRXNPFEDSA-N 437.591 2.186 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760523239 QRUILRALTQHPIH-WMLDXEAASA-N 425.518 2.065 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C)CC1 1760555865 PIVKVYVKFQZULP-LJQANCHMSA-N 445.589 2.018 30 10 IEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760567813 NPOGBPRHHNDQFQ-MRXNPFEDSA-N 433.607 2.109 30 10 IEEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1760927458 WZKRDTIEIGMGGE-XMMPIXPASA-N 435.576 2.464 30 10 IEEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)C(C)C 1761021038 YTEKELYDTFIQQY-UHFFFAOYSA-N 425.537 2.174 30 10 IEEE CCCN(CC)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1765995281 RBPQRZJRLGQVQJ-LJQANCHMSA-N 425.537 2.396 30 10 IEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cnn(C)c2)cc(OC)c1OC 1769797896 DLSNSRGVBOSABC-AWEZNQCLSA-N 425.493 2.491 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1769959014 FPGQQLYHJNZWIC-HYFFOGBASA-N 429.521 2.050 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1769996678 ZLQRZRHONOAPKS-IPHXSNPTSA-N 435.475 2.491 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)C1 1771151698 BKQQAYMYNYARPX-ABSDTBQOSA-N 440.548 2.219 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCSC4)C3)n2CCOCCCO)cc1 1771534613 IJYJOLMKBDBTEI-QFIPXVFZSA-N 443.573 2.461 30 10 IEEE C=CCN1C[C@@H](C(=O)N(CCN2CCOCC2)c2nc3ccc(OC)cc3s2)CC1=O 1848977496 RMJDTNKBQCOHKP-INIZCTEOSA-N 444.557 2.005 30 10 IEEE Cc1cccc(C)c1N1C[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1851946978 BYVAYYFVEVJADM-OAQYLSRUSA-N 447.539 2.288 30 10 IEEE C=CCN1C[C@H](C(=O)N2CN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)CC1=O 1852819733 ICOBHTLEQYEJJS-MRXNPFEDSA-N 426.498 2.051 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1ccc(F)cc1 1852828931 JQYMPRRQFLQWCM-RBUKOAKNSA-N 446.548 2.475 30 10 IEEE N#Cc1cnn(-c2ccc(Cl)cn2)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1852846734 KYNQTXCNFKFSAJ-IAGOWNOFSA-N 440.891 2.172 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(F)c1 1853236386 VIOVVTYSAWNPGZ-NWDGAFQWSA-N 439.900 2.127 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 1853729581 AUYXOFLELWCAOC-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3c(F)cccc3Cl)C2=O)CC1 1857072784 IODCJOFNIXUIQC-QGZVFWFLSA-N 427.867 2.309 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N(CCO)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1857960667 PWBULSFUIKNFMA-HXUWFJFHSA-N 431.489 2.310 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862629750 CSKXUCIHHZJTDU-VOJFVSQTSA-N 426.381 2.283 30 10 IEEE C=CCNC1=C(c2ccc(OC)cc2OC)C(=O)N(C[C@@H]2COc3ccccc3O2)C1=O 1863757785 GKVJLLOPCWSTGH-MRXNPFEDSA-N 436.464 2.399 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(C)nn2CC 1865225688 XVTPQNFPRYUOHW-FQEVSTJZSA-N 437.544 2.245 30 10 IEEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870423826 OCGVPHNRBQZSKQ-UHFFFAOYSA-N 440.544 2.330 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN(C)Cc1ccccc1 1870541983 LCZYDIJBLNDBJW-NRFANRHFSA-N 425.529 2.340 30 10 IEEE C=CCOc1cn(CCN2CCOCC2)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870809135 OXKVZIURKNQFQI-UHFFFAOYSA-N 426.517 2.316 30 10 IEEE COC(=O)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(O)c(O)c1 1874293771 TUUYLQCLRQEXJJ-UFFVCSGVSA-N 444.469 2.424 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccnc1 1874436128 NIKBRDKOBVXSPA-ZWGXDWAISA-N 437.529 2.161 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3Br)CC2)CC1 1891049346 AWUVUMLNCMGWRP-UHFFFAOYSA-N 449.393 2.106 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1896417177 NIQWZWZUEFHPSN-HZSPNIEDSA-N 427.498 2.035 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](N)C#CC1(S(C)(=O)=O)CC1 1902434364 YQDJUPLEKYJOHW-RBUKOAKNSA-N 436.574 2.395 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2063394052 YPUSQJSHHOXZNC-QFIPXVFZSA-N 432.326 2.296 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCc2cc(C#N)ccc21 2189926199 LFGKLBYSTQXSOE-OAQYLSRUSA-N 427.457 2.275 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401667 MICJKESVUCGWFD-AAEUAGOBSA-N 439.343 2.063 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248419757 HDPDBLKISYFCLM-CQSZACIVSA-N 440.371 2.203 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2249675872 LEHXNLDSKITJKU-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255655218 JGXDUXSJWJLMGU-IBGZPJMESA-N 427.354 2.379 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255807769 AOQFJNMHOSFUDU-MJBXVCDLSA-N 449.382 2.428 30 10 IEEE COc1ccc(C(=O)NCCNOCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255814693 CDZOEZXUAFJCGP-UHFFFAOYSA-N 426.322 2.446 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255838666 JNGCTLIUJUUMBH-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3CCOC[C@@H]3OCc3ccccc3)c2)OC1(C)C 2255859838 VQALTTXTXQWZQD-ICSRJNTNSA-N 426.322 2.418 30 10 IEEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256635236 AAQWPZKLPCHIMF-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256673044 AVFBQCZDLSYHIT-MRXNPFEDSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267270292 KOLYPHUXSCZCMP-GOSISDBHSA-N 446.353 2.352 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C 2267270580 MCUNFNNJMOUSSA-MVVMVCHASA-N 445.369 2.310 30 10 IEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCCC23OCCO3)OC1(C)C 2267468116 ICKVXNZICGZNKP-HNNXBMFYSA-N 429.369 2.011 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267512386 GHYFZRXMTAEOSL-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267523558 DGIGUEZHWNEEFL-GOEBONIOSA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2267595730 JPWTUWXBFHNUGL-UHFFFAOYSA-N 443.353 2.320 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2268631542 ZRFRPGFHFIZZTD-UHFFFAOYSA-N 446.353 2.104 30 10 IEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2270448764 ILEHYZZDLZESFS-UHFFFAOYSA-N 444.234 2.184 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)c(Cl)c2)OC1(C)C 2282491242 NAQUNQCKYOHANX-HNNXBMFYSA-N 443.758 2.165 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCCO)n3N=Cc3ccc[nH]3)CC2=O)cc1 2325882512 RZOYMNYECNGZHS-OAHLLOKOSA-N 440.529 2.492 30 10 IEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343635368 GFALMTRZMPSVEL-IAGOWNOFSA-N 449.332 2.410 30 10 IEEE CC(=O)Nc1cccc(NC(=O)COC(=O)CO/N=C(/C)c2ccc3c(c2)OCO3)c1 15933671 CVRQKKYOBRYTPB-CFRMEGHHSA-N 427.413 2.296 30 10 IEEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccco1 102757861 GHMQEGOILWXBOC-VZCCSQPZSA-N 425.441 2.098 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cccc(C)c2)C1 256033264 NPUHARXPMDMMBO-BRWVUGGUSA-N 435.484 2.494 30 10 IEEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)C2)n(C)n1 446933925 QPWTVKWSCLDTAB-KRWDZBQOSA-N 425.512 2.240 30 10 IEEE CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)Nc2cc(C)n(CCC#N)n2)CC1 448073850 GYCCHFNILGBVBW-UHFFFAOYSA-N 427.484 2.947 30 10 IEEE O=C1C[C@@H](c2ccccc2)N(CC#CCN2CCNC(=O)C[C@H]2c2ccccc2)CCN1 472584345 WUKZFNYVIGAGQU-ZEQRLZLVSA-N 430.552 2.116 30 10 IEEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCO)Cc1cc(Br)cs1 494436451 QALHWEVNBCEIOB-UHFFFAOYSA-N 446.304 2.474 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)[C@@H](Cc3cccnc3)NC(=O)c3ccccc3)CC2)c1 499273876 MMAXODKCPQJYIN-JOCHJYFZSA-N 440.507 2.038 30 10 IEEE N#C[C@@H](NC(=O)CSc1nnnn1CC(F)(F)F)c1ccc(Br)cc1 499434359 FMWJLAIOIAIXDH-SNVBAGLBSA-N 435.229 2.471 30 10 IEEE COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 500471868 XNDJMNSROJTECS-IBGZPJMESA-N 429.498 2.217 30 10 IEEE Cc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCCCC1 505007801 CVHKBKRMQXUVNN-UHFFFAOYSA-N 432.546 2.260 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 505139538 ODPIYLLEUDXIKJ-AEFFLSMTSA-N 441.557 2.164 30 10 IEEE COC(=O)c1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 533570697 SRGLEYGLYOCBOQ-UHFFFAOYSA-N 446.460 2.022 30 10 IEEE Cc1sc2ncc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)c(=O)n2c1C 537192340 AGRLKZLJGZXVBR-MRXNPFEDSA-N 439.522 2.398 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cn(-c2ccccc2)nn1 541689883 LOSFWNJHMLMEMW-JPYJTQIMSA-N 447.518 2.466 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1N1CCCS1(=O)=O 546927307 SYUBARJWQBIPQT-UHFFFAOYSA-N 440.529 2.156 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 559006288 MNCPIZWUPJNGAN-HXUWFJFHSA-N 436.516 2.386 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@H](CO)CC3CCCC3)ccc21 559024738 UYNSSUCFWKBWSN-IBGZPJMESA-N 426.517 2.265 30 10 IEEE COc1cc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1C#N 568701603 FAQULNSUVWICFC-UHFFFAOYSA-N 427.526 2.430 30 10 IEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 590897737 JARGEEPUZMZHQX-UHFFFAOYSA-N 447.472 2.399 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCSC)c2=O)c1 611617142 JQOWCELPBAYUDU-UHFFFAOYSA-N 443.594 2.247 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 612230410 WKHDEYVQOOIBTE-IBGZPJMESA-N 447.495 2.356 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(Cl)nc3)c2=O)cn1 732564782 QLZXXJMFYLFTKY-UHFFFAOYSA-N 439.928 2.036 30 10 IEEE N#C[C@@H]1CN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCN1C1CC1 732664003 APNHVSUIQZOSDU-HXUWFJFHSA-N 442.516 2.368 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)CCN1C1CC1 732708847 VZRCHEUWPFDLMJ-NRFANRHFSA-N 443.507 2.027 30 10 IEEE C=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OCC 734022918 NLZTWGSCWXJEDI-KBPBESRZSA-N 445.921 2.414 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccccc1C 735069338 SWCNUOYVCAJFTN-UHFFFAOYSA-N 449.580 2.233 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cccnc1N1CCOCC1 744600902 AUCJHYSIYHEIOX-KRWDZBQOSA-N 438.484 2.419 30 10 IEEE COC(=O)[C@@]1(NC(=O)COc2ccc(C#N)cc2OC)CCCN(Cc2ccccc2)C1 755648348 DHACQXXVONMNAM-XMMPIXPASA-N 437.496 2.270 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cc1 758225027 FOVIFMFZPLFKQP-OEWBEZOBSA-N 435.550 2.055 30 10 IEEE CNC(=O)[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)C(C)C 772420488 DJXZAQKEMDLCJS-KHCKMINHSA-N 437.566 2.172 30 10 IEEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774271271 JQVDEIFQMKJZEV-SFHVURJKSA-N 434.606 2.464 30 10 IEEE C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 777176470 LSNULKNPVJAWON-GJZGRUSLSA-N 441.509 2.312 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800771132 GXFSDWHGOQMLEC-HNNXBMFYSA-N 439.582 2.202 30 10 IEEE CC(=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccccn1 1084247266 PCOWTEALNJPJJU-UHFFFAOYSA-N 425.474 2.173 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3F)n2N)cc1OC 1084376565 LOPRWQPPNJLNOT-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)ccc1O 1084533706 FXXMKSOYFHOHQP-UHFFFAOYSA-N 445.480 2.412 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1129009358 YHQOAEKCZLOBSI-WBVHZDCISA-N 443.909 2.109 30 10 IEEE C#CC[C@H](COC)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1131945395 TUAZLPOHTXVIIR-SNVBAGLBSA-N 426.292 2.448 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3ccc(OCC#N)cc3)CS(=O)(=O)[C@H]2C1 1135413859 YKDGLKBPIHMPNJ-QGTPRVQTSA-N 449.529 2.198 30 10 IEEE COc1c[nH]c(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cc1=O 1136331590 DXIIJSFPGMKVJM-FCDQGJHFSA-N 432.502 2.229 30 10 IEEE COC(=O)CCSc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1137946720 GXJYQFQMFSHIST-UHFFFAOYSA-N 433.511 2.130 30 10 IEEE Cc1ccc(C(=O)NCCOc2ccc(Cl)c(F)c2)cc1S(=O)(=O)NCC#N 1140865696 OLPZULYLWOQEQY-UHFFFAOYSA-N 425.869 2.398 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)C2 1143410737 ZLVIEKMFSHBWFO-UHFFFAOYSA-N 426.317 2.203 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OCC 1153516361 ICFSJRFMHPEHOY-KRWDZBQOSA-N 445.520 2.424 30 10 IEEE COC(=O)[C@@]1(N2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)CCOC1 1167320490 CAVWPZOLOISPMI-RUZDIDTESA-N 449.507 2.227 30 10 IEEE C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175428676 RQLONQMVHMKQFF-DBHNTLKXSA-N 437.537 2.256 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(N4CCNC4=O)cc3)ccc2c1=O 1184191193 OWJGERZGCLMKEL-UHFFFAOYSA-N 435.509 2.331 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3cn(C(C)C)nn3)CC2)cc1 1261223046 HTGUMQCPTNRNSW-UHFFFAOYSA-N 434.522 2.175 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(N3CCOCC3)CC2)c1 1286308969 NAGKLHPPDIDVNX-UHFFFAOYSA-N 436.560 2.323 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(CN2CCOCC2)CCCCC1 1286406834 JKYKHAXHQZKTJR-UHFFFAOYSA-N 433.560 2.091 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC1CC1 1286419144 NYECSBBUMOLNOL-UHFFFAOYSA-N 432.528 2.136 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(CCC)C2)CC1 1286481529 FBGBDVILODEIIC-LJQANCHMSA-N 427.622 2.121 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286602404 YTPFUCAIFAAMMY-SFHVURJKSA-N 440.548 2.407 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC(N)=O)CC1 1286675786 SRHWRUKCWNLAJA-UHFFFAOYSA-N 429.569 2.213 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286785521 MSSLDBLEGZXKHW-UHFFFAOYSA-N 436.564 2.316 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1286787737 IYZSXEHARWCPCN-GOSISDBHSA-N 440.548 2.166 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)OC)C1 1286794978 CXYYCTSJCYCQQN-ZWKOTPCHSA-N 439.516 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(O)c2)C1 1286805897 VFOZFKOZIVNUDJ-JPYJTQIMSA-N 444.532 2.474 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)OC)C1 1286809055 GFXDBVJQKSOXRH-IEBWSBKVSA-N 427.553 2.268 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)C1 1286809761 LABZJWQXKZJYDI-VQTJNVASSA-N 425.533 2.295 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1286817539 NHVNJXGKAJIQAC-GOSISDBHSA-N 443.573 2.435 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1288234489 XOBSKTPFKVJSAB-UHFFFAOYSA-N 448.506 2.202 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 1290342953 JRGAQBLSNVNPDP-OAHLLOKOSA-N 448.264 2.414 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNC(=O)c2ccc(F)cc2)C1 1292978168 QNIOZAJUGDCZSZ-UHFFFAOYSA-N 445.292 2.442 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1298583952 YJBSTMOEHWMXEF-UHFFFAOYSA-N 438.532 2.178 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 1300391172 IIKRGJLCWDJKED-UHFFFAOYSA-N 437.504 2.304 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1 1300578578 MTIAZRMLJNBTBL-GSVIPDFHSA-N 432.590 2.238 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(CC)C1 1300664430 BSIMRMLSCQCDQV-SFHVURJKSA-N 425.533 2.144 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300751520 KVHPPBTWIYUKGT-SFHVURJKSA-N 447.630 2.419 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc(C)no2)CC1 1300862682 CEIUUDAUHDOCHM-ROUUACIJSA-N 443.552 2.473 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300980358 OPPHFVKZJHAUCL-UHFFFAOYSA-N 437.566 2.299 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1300991764 QQENANXOOCZDEB-GCJKJVERSA-N 429.496 2.059 30 10 IEEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(=O)N(C)C 1302119514 ZIUACNWRFSCUCC-SXLOBPIMSA-N 440.548 2.224 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)s1 1303394243 FBGCFSONPAWBBX-DGCLKSJQSA-N 426.482 2.371 30 10 IEEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)cn1 1308079266 GGNHUNPJGMQZTM-KRWDZBQOSA-N 447.586 2.032 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358894369 NEAVZPGTDGUBMR-IHPCNDPISA-N 436.539 2.068 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1358979270 HYMMZZJPYMWKIX-RBUKOAKNSA-N 443.548 2.086 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OC(F)F 1359018460 QSBXLTMTYUKJIE-UHFFFAOYSA-N 433.459 2.250 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CN(C)C)CC1 1359032890 HPXRDYBNQCSQSY-UHFFFAOYSA-N 440.592 2.305 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1359064718 YTUITPMVGZYTCO-WAOWUJCRSA-N 436.626 2.002 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1359070925 YEVLBPMAXAMIQJ-QVKFZJNVSA-N 432.521 2.368 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(CC)CCS(C)(=O)=O 1359085138 CTDNUWNYBWXXBP-UHFFFAOYSA-N 428.356 2.043 30 10 IEEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359181520 VOUVREVFDXHFBZ-JOCHJYFZSA-N 446.573 2.118 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1359208057 DZJUGDZKQUXVIH-JENIJYKNSA-N 436.626 2.308 30 10 IEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359216164 QFHGFNLHESPFMO-FQEVSTJZSA-N 445.589 2.400 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359292112 IKTYNEACEJWKCQ-JTDSTZFVSA-N 447.511 2.100 30 10 IEEE Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cccc1S(=O)(=O)N(C)C 1436713018 HPXCOIQGKWRVFH-INIZCTEOSA-N 426.498 2.109 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)c1OC 1440623514 JNACWXFNAYLNDM-FLIBITNWSA-N 426.444 2.410 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1461099489 QHEZPCNVVTWTSK-MRXNPFEDSA-N 430.482 2.077 30 10 IEEE Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1461304724 BBCYKKXSOPHGDH-FQEVSTJZSA-N 437.525 2.326 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c1 1463729930 OCVVYDGDDWBJSC-QRVBRYPASA-N 432.546 2.275 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 1466664013 UPHAHQTXCCKZKI-QGZVFWFLSA-N 435.546 2.102 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c(C#N)cn1CC 1466880332 AVNLAQMOFNHCGH-MRXNPFEDSA-N 430.509 2.166 30 10 IEEE C=CCC1(O)CCN(C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1471936113 VGYDTTOXVSJVIE-UHFFFAOYSA-N 431.558 2.344 30 10 IEEE C#CCOc1ccccc1CNC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1477095139 UTQVQUMSBFCBMB-UHFFFAOYSA-N 435.527 2.437 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1479436672 CZSNXCIWZRCGKU-NVXWUHKLSA-N 443.552 2.214 30 10 IEEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1492704678 KDRWXXVONGWSII-QGZVFWFLSA-N 432.532 2.469 30 10 IEEE C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)C1 1494353331 UDGYSNRVZLXCTD-VFAFWLKOSA-N 428.537 2.181 30 10 IEEE CCN(C)C(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1501416108 BOYMBHRYANHHLC-JOCHJYFZSA-N 434.504 2.202 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C#N)CC2)CC1=O 1504901077 DPCBTBLUGQFHMR-INIZCTEOSA-N 443.939 2.228 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1507572553 NRPOPLNQOSCBCT-UHFFFAOYSA-N 442.951 2.446 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1507596141 DFJJWXHMQZZTJI-ZWKOTPCHSA-N 443.552 2.346 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1507628876 IUOQAKTWVQANFM-IRXDYDNUSA-N 433.603 2.054 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(C)(C)O)c1 1507638283 XOYSBKNRIPLFMA-UHFFFAOYSA-N 428.496 2.274 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1507725151 PTVFIQLZQUBXHD-SFHVURJKSA-N 427.553 2.189 30 10 IEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1507978500 NVLGDKPJLNYACG-LSDHQDQOSA-N 444.499 2.279 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C 1508038571 UMDBFKFSFWZNAF-UHFFFAOYSA-N 439.358 2.163 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](Oc2ccccn2)C1 1508082637 VQAUBWYXWUSSRN-KRWDZBQOSA-N 434.500 2.309 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1508097231 GNONOLWXNJOAQD-JRBPQWBISA-N 432.613 2.418 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(COC)CC1 1508137052 XYPJWXMYMMAHIO-UHFFFAOYSA-N 437.953 2.377 30 10 IEEE CC(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1508402800 VOOZCLWTTGIFGF-UHFFFAOYSA-N 425.512 2.409 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1508423013 KQSBAZIBPNPOCZ-HNNXBMFYSA-N 429.550 2.181 30 10 IEEE CCCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514552298 ATYZADDCBNJPAE-HXUWFJFHSA-N 426.569 2.133 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1516963790 BLUOZMKIYCHJHR-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1517016752 BONPORKYEWELJN-JTDSTZFVSA-N 430.940 2.467 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 1525872520 YIDRHSTUYKUOQR-WCJKSRRJSA-N 426.521 2.032 30 10 IEEE N#Cc1nc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)ccc1Br 1526374972 LFLQVWQILXAORN-LJQANCHMSA-N 440.257 2.048 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1526454184 JSOBXEDUVXTYCY-UHFFFAOYSA-N 438.509 2.112 30 10 IEEE C#C[C@@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)C1CCOCC1 1533500186 GQYZRZYZRILJHZ-GOSISDBHSA-N 431.537 2.317 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(Cl)cc(Br)cc2Cl)C1=O 1536256720 IZOIFVPBRRUWTL-UHFFFAOYSA-N 449.088 2.349 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H](CC#N)C(F)(F)F)C1=O 1538122580 BURWRSRXUGQGFU-ABAIWWIYSA-N 447.211 2.177 30 10 IEEE Cc1ccc(Cn2nc(C)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2Cl)cc1 1538761266 VKOCNZJEGDGGPG-OXJNMPFZSA-N 432.933 2.212 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc(F)c(F)c1 1539284532 QVEAQPWGXSXTHW-JXFKEZNVSA-N 430.455 2.432 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1539312505 RJUWKDJGWPRUES-QFIPXVFZSA-N 431.544 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncn(-c2ccccc2)n1 1539338218 ROGIKIZMPDMKRZ-UGKGYDQZSA-N 445.527 2.094 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1539390172 LPHUFORMIBOIFB-SFHVURJKSA-N 438.507 2.054 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(Br)n1 1539409301 WBQDCSBIEPPFFU-UHFFFAOYSA-N 428.294 2.027 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1539611936 FJJAKCYJPBUGAQ-ZCNNSNEGSA-N 430.597 2.462 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539721728 FFXNOOZLHJYJNL-IBGZPJMESA-N 442.568 2.157 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1539744194 DVUKQHCNSREGSS-OAQYLSRUSA-N 438.576 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(OC)C1 1540897879 UVXIMXQRUQHZKM-HNNXBMFYSA-N 438.525 2.383 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@@H]1CC 1540911800 COGQLKGDDVMOEG-INIZCTEOSA-N 429.546 2.350 30 10 IEEE CCN1CCN(CCCCn2c(CC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1547729979 AHTGZBKFJJQUHW-QFIPXVFZSA-N 442.656 2.071 30 10 IEEE CN(C)C(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1552729224 GDXPXPIBMVSPMP-UHFFFAOYSA-N 425.512 2.361 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1555637121 PENWJFPZSCZQTG-QRWLVFNGSA-N 440.520 2.311 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(COC)c(C(F)(F)F)c1)c1cc[nH]n1 1557391856 HJSPVXXNVPZVKH-UHFFFAOYSA-N 428.367 2.497 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1F 1557869405 WRLGVGSLENJDON-DZGCQCFKSA-N 441.525 2.418 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OC(C)(C)C[C@@H]2O 1558635004 BNPCSNBQAHYCBU-UGSOOPFHSA-N 429.498 2.458 30 10 IEEE N[C@@](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)(c1cccc(F)c1)C(F)(F)F 1559032806 JJANBGRQAFMGPR-LJQANCHMSA-N 439.365 2.446 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566410391 YWRBXGADNUSMDN-KRWDZBQOSA-N 438.532 2.036 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]12OCCC[C@H]1C2(F)F 1584800959 XZHYXNJFADDDAV-APWZRJJASA-N 441.500 2.216 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1588064252 DUBKMHGUGJWART-LJQANCHMSA-N 441.582 2.195 30 10 IEEE C#CCN(CC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1)C(=O)OC(C)(C)C 1588182732 VLFRJBQZPONRNH-UHFFFAOYSA-N 431.533 2.218 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1588266144 MDUFIMQMLBKWDT-CYBMUJFWSA-N 445.467 2.295 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1588898887 HAKQDSUWKKYFSG-IBGZPJMESA-N 432.528 2.209 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1593722237 MPAVUYSNLDNIJO-MRXNPFEDSA-N 427.505 2.324 30 10 IEEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1593899785 CBFNLUNTKRGDDN-UHFFFAOYSA-N 428.924 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595506634 HQZDFFSKRPEBLI-SJORKVTESA-N 446.914 2.287 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1595562410 XZQZCHJSFDPMRV-KRWDZBQOSA-N 430.578 2.118 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595603115 XYFXFBUHVFNSNZ-YRNRMSPPSA-N 441.523 2.348 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)C1 1595673806 JQVWQQHQGDGFPM-WMLDXEAASA-N 439.969 2.371 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2c(ccnc2O)C1 1595773333 YCPYLKVOOZYVOA-UHFFFAOYSA-N 429.502 2.111 30 10 IEEE Cc1nnc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)s1 1612522372 BRQBTUBELVTCOK-UHFFFAOYSA-N 442.574 2.412 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br 1612654133 QUWICFJNKKUJHG-NSHDSACASA-N 439.264 2.471 30 10 IEEE CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1614095310 FRYXYFTYWCQLLP-YLIUKNOZSA-N 435.532 2.415 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCOC)CC1 1615881889 IEMJCTFHWGJZDY-IBGZPJMESA-N 425.581 2.173 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1 1616348292 WNPDHXPUZBJVTM-UAFUQJIBSA-N 442.516 2.155 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1617270767 XIUKFWLBNYVLHZ-MRXNPFEDSA-N 429.546 2.423 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCOCCCO)CCO2)c1 1620350006 YTSZVPLXAZYKCD-SFTDATJTSA-N 441.532 2.368 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1620547995 HBYGKXSDKYMRGW-LJQANCHMSA-N 444.576 2.479 30 10 IEEE CCOC(=O)CON=C(C(=O)NC1(Cc2ccccc2Br)CC1)c1cc[nH]n1 1625187104 YUBIJLXULYQYTH-UHFFFAOYSA-N 449.305 2.348 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)C2)C1 1628306861 UMOUYWSZSSJYSN-WFMQRQJPSA-N 439.578 2.245 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN(CC(F)(F)F)C2)s1 1628573348 UBRQJGBOZXEKKH-CYBMUJFWSA-N 439.525 2.145 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)cc1 1632180342 JRAUJUHYENMRME-BEFAXECRSA-N 442.541 2.199 30 10 IEEE C#CCN1CCCN(C(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1634016331 VCWLKAURYAMTAL-FQEVSTJZSA-N 445.361 2.145 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 1639023132 GBHGGCJWXWLBFX-AWEZNQCLSA-N 446.495 2.100 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1640916872 XGXLDJKQUFAVAK-YADHBBJMSA-N 441.553 2.292 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1OC 1643303776 OCADDBDSAJHZNH-ALCCZGGFSA-N 429.517 2.306 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCCCCNC(=O)CC1)CCCC2 1648611178 VMOOYHYQRKCFSF-GOSISDBHSA-N 441.576 2.348 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)cc2n1 1652527742 FEVDJFOWSNLATH-XLIONFOSSA-N 444.488 2.124 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1 1653058733 SFJBSQZRGRUVLX-WMZOPIPTSA-N 449.573 2.221 30 10 IEEE C#C[C@H](C)NC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1674009556 JWYJZVVZSQWVLQ-DLBZAZTESA-N 430.553 2.378 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1675444099 IONKUYZSJGFZQT-QFIPXVFZSA-N 425.577 2.295 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)C1 1684083689 XTECUWWSGDHWIZ-OAHLLOKOSA-N 441.395 2.256 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)nn1 1686847896 IFFORZJPWCHHNR-CYBMUJFWSA-N 426.290 2.016 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2ccccc21 1690093981 PDTKEKWNKRACAK-IEBWSBKVSA-N 445.589 2.094 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690179125 NQWONNXXXOCQIY-INIZCTEOSA-N 444.630 2.495 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1690206321 NLBSFNREEAJZLU-JJRVBVJISA-N 434.484 2.140 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 1690236774 QZUAANXQYRKXEF-ICSRJNTNSA-N 430.597 2.462 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690254798 IXFUPVJQYFWFPQ-UHFFFAOYSA-N 448.568 2.210 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 1690666828 IACZAEVAONAIHP-UHFFFAOYSA-N 428.512 2.081 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1692662224 GVKGKCQDFLKQSK-WBVHZDCISA-N 448.618 2.038 30 10 IEEE Cc1cccc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1692957271 HSOXNYMKFGKFSP-GUXCAODWSA-N 434.541 2.442 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCCC3(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1693430387 GDTAJHNZHMVHCB-VXPUYCOJSA-N 438.536 2.045 30 10 IEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1695497422 LESAIYDAWVJWOB-UHFFFAOYSA-N 426.521 2.130 30 10 IEEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1697779970 ZHTPUOKRYQWMHL-MOPGFXCFSA-N 425.468 2.113 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccco1)N1CCCC1 1698171580 RESCZPLUUZOFBV-QYZOEREBSA-N 444.536 2.161 30 10 IEEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[C@H](C3)C4O)n2CCCCCO)cc1 1698489777 YIYIOSYXMYYIBW-QIDMFYOTSA-N 425.533 2.489 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)(F)F 1705609736 OTQHIBITVDMWDL-UHFFFAOYSA-N 425.411 2.100 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1705628305 CMCALPNRWBOYFG-MRXNPFEDSA-N 439.438 2.252 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1705638347 HPBGTSACIOAMDE-UHFFFAOYSA-N 427.574 2.165 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)cc2OC)CC1 1705641294 ZCHDQANHCNSPJO-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(C(N)=O)CCCC2)CC1 1705641486 HUBIOMCQNNVFLV-UHFFFAOYSA-N 434.588 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1705644436 QODSEJSPWDHGBS-RTBURBONSA-N 444.624 2.255 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1705667620 YGPXYJHZFLQTIZ-LRXVAGHRSA-N 444.605 2.183 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)C1 1705757872 AUPRXCXOVWCDLZ-UHFFFAOYSA-N 436.969 2.327 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccccc2O[C@H](C)C1 1705909385 VOOKSYBLQPJKIQ-MMOPVJDHSA-N 441.532 2.092 30 10 IEEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1710980160 URGHNISIECLISD-HXUWFJFHSA-N 437.548 2.196 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1711371850 CXJXRBRPLYHUIG-UHFFFAOYSA-N 432.532 2.145 30 10 IEEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCN/C(O)=C1\N=CC=CC1=O 1711968866 PFFJJZPUSYGFJS-YWBAYFEHSA-N 449.515 2.142 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722362763 WFCORBBUCMMNDA-ADKAHSJRSA-N 431.562 2.105 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCC1 1722391266 ZFAHKICDVQWIMB-UHFFFAOYSA-N 425.920 2.239 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCc1nnc(C)s1 1722395144 RTUTXHCKWCORMU-NRFANRHFSA-N 428.562 2.186 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1722430462 HFLBNLQRAPFRAG-DEOSSOPVSA-N 447.543 2.174 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722506848 GPTFZZOFIPIAOR-AQNXPRMDSA-N 431.581 2.458 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722532689 UDFMJBHJFDNNNT-SFHVURJKSA-N 448.568 2.127 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(F)(F)CO1 1722863103 OKQVEAOXDKSXBJ-DZGCQCFKSA-N 439.488 2.369 30 10 IEEE CC(C)CSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1723507651 PIDIUQDCWFHYRR-GOSISDBHSA-N 425.562 2.420 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2conc2COC)CCOC1 1728784943 VHGOYJUNRWSWEE-NRFANRHFSA-N 430.509 2.243 30 10 IEEE CCOCc1nnc(N(C)[C@H]2CCc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1728975031 NKCPMTVXRBJLIU-VEGAHXMMSA-N 436.516 2.465 30 10 IEEE COC[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730442211 LXVDNUYJVZXOHJ-DNVCBOLYSA-N 425.493 2.312 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740581567 ATZJLXSNUBGDDT-RDJZCZTQSA-N 439.516 2.099 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cc(C)cc(C)c1 1740647985 ANVKNBCJQQXPMK-IBGZPJMESA-N 443.573 2.047 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740723456 PNXKWTQZIZZTCO-OXQOHEQNSA-N 438.498 2.390 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740879656 PHMCEEZAMCKYAZ-UHFFFAOYSA-N 427.553 2.294 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1740940625 NFCDELVKKGMBFA-MAUKXSAKSA-N 441.532 2.248 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1740941251 GKVUUFUXUNJGMM-GOSISDBHSA-N 448.545 2.007 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NCCC)CC1 1740956737 ZFQMHVSYOQWRAE-UHFFFAOYSA-N 428.512 2.129 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(OC)CCOC2)C1 1740973628 ATXPOUNPRTYEID-GHTZIAJQSA-N 429.477 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccco2)C1 1740992764 NIBVHQRHPIFTQV-IBGZPJMESA-N 443.529 2.036 30 10 IEEE CC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1743463086 WQJDPBBHXVUDMV-NRFANRHFSA-N 439.545 2.330 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(F)cc1 1748863741 FYEJLHZOKSSWEZ-QGZVFWFLSA-N 445.564 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cc(C)cc(C)c1 1748892314 NMSSOOGBEAWXHS-HXUWFJFHSA-N 440.569 2.339 30 10 IEEE COc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1749069186 DZICWPXLJFZWON-LAUBAEHRSA-N 429.546 2.367 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN(CC)CC)C1 1749108989 AJMBMTJBHKOCHP-MRXNPFEDSA-N 439.402 2.477 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1749464673 BHYGBIZUVKKIMB-LBPRGKRZSA-N 432.472 2.167 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1749499452 HRPFUOMKKFGNJC-LJQANCHMSA-N 436.354 2.308 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(OC)CC1 1749676561 VBDZFRVHHMFBDK-HSZRJFAPSA-N 437.548 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1Cc2ccccc2C1 1749738717 VVIGLSLKGMGNQS-UHFFFAOYSA-N 426.546 2.261 30 10 IEEE CC(=O)NCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1750028376 DPXITQWZHDCBPO-OAQYLSRUSA-N 427.484 2.115 30 10 IEEE CSc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)ccn1 1750270231 PCFSEWWULSPJHL-UTKZUKDTSA-N 444.561 2.213 30 10 IEEE CC(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1750808803 GMGFGFBHOMTTNF-HXUWFJFHSA-N 437.548 2.435 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CCOCCS(C)(=O)=O)C1 1751276326 BGCFYGNLKZHSIQ-OAQYLSRUSA-N 449.552 2.199 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1760181974 GAVIPBYEUIELNR-HTAPYJJXSA-N 448.589 2.320 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1760190740 YFHPLLFTBSCYQS-AEFFLSMTSA-N 431.587 2.110 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCS(=O)(=O)C1 1760245978 PPWZUXNYYJLQDT-QGZVFWFLSA-N 439.541 2.014 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1760312851 FOVWIIOQVPISQI-OAHLLOKOSA-N 439.358 2.422 30 10 IEEE C=C(C)COCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760361701 PVLNJWKWGKOIPJ-WMZHIEFXSA-N 447.580 2.113 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1760378246 CWRSRDIFLLMKSF-UHFFFAOYSA-N 435.937 2.495 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1760461052 IQGMOVQPIXPOSY-UHFFFAOYSA-N 435.532 2.263 30 10 IEEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)CCCNC(=O)OC(C)(C)C 1760936145 OZDMULDXXQNHJO-SFHVURJKSA-N 449.600 2.367 30 10 IEEE CCc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763017304 HTKFPBSTOFJGAS-VXPUYCOJSA-N 428.443 2.208 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H](C)O1 1765307475 HZIPZZBIFDKLEK-PDPLOHQNSA-N 441.532 2.272 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1766959335 JJGLIUQVBBRHPR-MSOLQXFVSA-N 429.546 2.255 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)c1ccccc1 1767862501 ACZKCWQOFXHLFA-HSZRJFAPSA-N 434.500 2.257 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1769585810 BZMFJQGORKCOTK-MSOLQXFVSA-N 440.548 2.457 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCCCN2CCCC2)CCO1 1770747364 INIXIHFJBMWLOL-OALUTQOASA-N 429.569 2.004 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccccc2F)CCO1 1770751773 MXUGSFGJMPXWQR-MRXNPFEDSA-N 440.504 2.228 30 10 IEEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1771030846 BQSYAMKQVUXBJW-UHFFFAOYSA-N 437.548 2.025 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@H]2CCCN2c2ccccn2)cc1 1851514717 TVCPEZDCYGIXCO-FGZHOGPDSA-N 436.512 2.245 30 10 IEEE CN(C)C1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851612470 XGPSSANMSIMUKR-QFIPXVFZSA-N 440.569 2.000 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)c1C#N 1852805789 UBYMMDFNOUTTJG-HNNXBMFYSA-N 437.426 2.241 30 10 IEEE Cc1ccc(Cl)c(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856597752 UDDJQKZXLPYBOK-INIZCTEOSA-N 425.894 2.175 30 10 IEEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1(C)C 1857091603 NBKBYPLAOYSHKF-MRXNPFEDSA-N 439.603 2.174 30 10 IEEE CC(C)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977702 QWHICBSZFTVOOD-UHFFFAOYSA-N 428.514 2.175 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)CC)C2=O 1861534644 GWTCXAFWMYGWRI-BTYIYWSLSA-N 449.507 2.430 30 10 IEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868794779 GIKSPNNFWVXGRN-OALUTQOASA-N 432.590 2.150 30 10 IEEE CCOc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)cc1 1870095225 DXQRRVPSXATEQX-UHFFFAOYSA-N 428.430 2.306 30 10 IEEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107410 IGZXPBNVZBDXDK-UHFFFAOYSA-N 434.843 2.476 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN(CC)CCO 1870424261 GWYDXXCKMUGOMB-UHFFFAOYSA-N 429.517 2.183 30 10 IEEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(c4ccccc4Cl)CC3)ncnc21 1873595795 SCKREHPAYUXNSX-UHFFFAOYSA-N 440.935 2.319 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cs1 1889465914 QHPPYEOOIRUPTP-GFCCVEGCSA-N 425.436 2.481 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)[C@@H](O)C1 2060636244 VVDAFJBEABADDC-RNGZQALNSA-N 436.358 2.155 30 10 IEEE CC1(C)OB(c2cncnc2N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)OC1(C)C 2116071511 QXSYJFVARIILEG-XMMPIXPASA-N 436.365 2.257 30 10 IEEE C#C[C@@]1(O)CCN(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237402773 NUQXBLFARXQIBN-OXQOHEQNSA-N 437.334 2.482 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2244733017 PRZITRBBUUTCQY-LSDHHAIUSA-N 430.376 2.397 30 10 IEEE CC1(C)OB(c2csc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247822661 HMVPQEJSYKHSSE-QGZVFWFLSA-N 432.273 2.330 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247833408 GBGROTWMLOMNAU-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247937026 HSCJBFBHCPBJQC-PMERELPUSA-N 441.359 2.077 30 10 IEEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401006 DRFDXIIKCWJILT-LBPRGKRZSA-N 441.359 2.311 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248403290 FPHSUUQHDKLXFE-IUODEOHRSA-N 440.371 2.110 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2250697932 RSRUHHSKAUKHJB-YWZLYKJASA-N 442.387 2.350 30 10 IEEE CC1(C)OB(c2ccnc(NC[C@H]3CNCCN3Cc3ccccc3)c2F)OC1(C)C 2254793135 OUCAOHHZGNNTJI-GOSISDBHSA-N 426.345 2.406 30 10 IEEE Cc1cc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)oc1B1OC(C)(C)C(C)(C)O1 2255622947 HJMDIJZOFOMLAP-KBPBESRZSA-N 432.326 2.482 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255832839 SHLLBNMJDJHEMQ-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256606323 RZPDFJWQGAGMOI-OAHLLOKOSA-N 434.342 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1ncccc1B1OC(C)(C)C(C)(C)O1)CCO2 2260144881 RFABHRPWOFWRHX-UHFFFAOYSA-N 431.342 2.207 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)C1 2265990582 NICHDNIMFAUOLN-JOCHJYFZSA-N 447.341 2.015 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]1CC2 2267146626 LLRWYHXVSUSEPD-OFQRWUPVSA-N 446.357 2.369 30 10 IEEE CCn1cc(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2267185388 URIOCHDLPLVVCZ-HOYKHHGWSA-N 436.365 2.207 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CCNC(=O)OC(C)(C)C)C1 2267494157 CCTLZKQXGNBUSQ-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2267498227 SMPLYAIQUYTIGL-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267509998 DVNOBDJVAGEYKR-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267525735 IXBMPOMPNBHBDB-MRXNPFEDSA-N 448.373 2.095 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CN(C(=O)OC(C)(C)C)C1 2267526362 QUFHUEYAUDOIFS-UHFFFAOYSA-N 448.373 2.189 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268641916 DFQOGZJVVGMBFJ-HZPDHXFCSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@H](N)C#Cc1ccc(Br)cc1 2278814900 YDDIXFSSEOEBNZ-CVEARBPZSA-N 445.379 2.456 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2301661180 HXYVAZWLQZCYHU-ZDUSSCGKSA-N 440.371 2.317 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)n1C 2315684264 NNEUSOHLJISVCQ-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE C=CCn1c(CN(C[C@@H]2CCCO2)C(=O)COC)cnc1S(=O)(=O)Cc1ccccc1 36031282 QMVJYYBCPLONGZ-FQEVSTJZSA-N 447.557 2.197 30 10 IEEE COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1N=C(N/C(N)=N/c2ccccc2C)N=C1O 40376568 UBCMGRADKOAFFE-OAHLLOKOSA-N 439.432 2.171 30 10 IEEE CS(=O)(=O)O[C@H]1C[C@H](C(=O)OCc2ccccc2)N(C(=O)OCc2ccccc2)C1 214818023 HWCRFKZHASHODZ-RBUKOAKNSA-N 433.482 2.486 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 443084332 YCWHTMHHMVLQHY-CYBMUJFWSA-N 429.395 2.339 30 10 IEEE N#CC(C(=O)c1cc(F)cc(F)c1)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 446111344 ITAIKPXHBRKLSP-KRWDZBQOSA-N 442.443 2.346 30 10 IEEE C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 471996537 ZNIIXLGESOAHRI-FZKQIMNGSA-N 448.508 2.093 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(C#N)c(Br)c1 488005919 KGBDZYDUPCLVEQ-KBXIAJHMSA-N 436.262 2.278 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 506892575 HFRSGGPTEXPHRT-UHFFFAOYSA-N 438.937 2.339 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCC(C)(C#N)CC2)c1C 509410379 IIZDMOXQTMFVFW-OALUTQOASA-N 433.574 2.196 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C1CC1 518034113 DLMQQQPHRNIVCZ-LBPRGKRZSA-N 427.482 2.280 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2Cl)CC1 549276117 QHGDRLOUAKYCRU-LJQANCHMSA-N 445.951 2.487 30 10 IEEE CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1n1cccn1 555476698 YUUHGOSORQGGKL-OAGGEKHMSA-N 425.308 2.214 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)N3c4ccccc4NC(=O)C34CCCC4)CC2)n1 571456483 LIRYXMVGRQFBCQ-UHFFFAOYSA-N 430.512 2.373 30 10 IEEE C#CCN(c1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)c1cc(OC)ccc1OC 586250007 RUTNNASTFUIEPB-UHFFFAOYSA-N 429.542 2.284 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCc3cccc(F)c3)CC2)cc1 609467863 UNXNVZSKRPVHBI-UHFFFAOYSA-N 430.505 2.346 30 10 IEEE N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)ccc1F 611645075 VTAYYIDLNMNIOE-QGZVFWFLSA-N 430.461 2.069 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1cncn1C 619434305 IRQWZUCZVFNOJS-AUSIDOKSSA-N 449.559 2.162 30 10 IEEE C[C@H]1[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC(=O)N1Cc1ccccc1 619602183 FTZZPILBZDKBCB-QFBILLFUSA-N 448.527 2.445 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 670231962 ZFZWJHHKBMHDIQ-AWEZNQCLSA-N 429.506 2.115 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccccc2)cn1 730144903 UHSQZDOZAUVGRD-IBGZPJMESA-N 442.589 2.145 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2cccnc2OC)C1=O 735223536 DXXHPJNYMYNVRO-MRXNPFEDSA-N 428.470 2.087 30 10 IEEE CN1C[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CCC1=O 738903228 LQKZGCGIIWKOLE-FVOSJULTSA-N 435.550 2.022 30 10 IEEE C=CCn1c(Cc2ccccc2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 760415079 OTQDACCRDHNICD-UHFFFAOYSA-N 428.606 2.244 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 762618333 SFEOIKCBKJQYOY-MAUKXSAKSA-N 435.546 2.235 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 774036868 OSCCYSGVLLFGQJ-OAHLLOKOSA-N 425.938 2.475 30 10 IEEE COC(=O)c1ccc([C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C(F)(F)F)cc1 775217717 XZABJZNZTUABRU-SCDSTIRESA-N 425.363 2.109 30 10 IEEE CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780994417 DULFGIPOVKHUKN-QFIPXVFZSA-N 441.553 2.470 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ncccc2S(C)(=O)=O)C1=O 782886362 LPWIEKNFIDDGEH-MRXNPFEDSA-N 446.554 2.061 30 10 IEEE C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCn1ccnn1)c1cccs1 784126068 NJUYTZJLLIRQET-OMJPZRMPSA-N 432.575 2.460 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 786847913 DRTRKNVFHPEKOP-HNENSFHCSA-N 439.921 2.324 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1C#N 788441315 PZAQRMNXSICOTN-UHFFFAOYSA-N 435.406 2.215 30 10 IEEE CCN(C(=O)c1ccnc(C#N)c1)S(=O)(=O)c1ccc(I)cc1 796711874 HJSRLHWSADRCKP-UHFFFAOYSA-N 441.250 2.409 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](c2cccnc2)C1 800168211 VJQIWQJBHICRJB-GOSISDBHSA-N 429.502 2.331 30 10 IEEE N#Cc1cc(C(=O)NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)ccn1 800463155 BMBAQMNHGPIADQ-UHFFFAOYSA-N 440.666 2.136 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H]2CCCCO2)CCN1C1CC1 1118981493 SMOZUVQDYXMJIO-OALUTQOASA-N 436.516 2.419 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1 1128961803 FTROEPWQPVQAPH-MRXNPFEDSA-N 433.530 2.169 30 10 IEEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(Br)cc1I 1141463834 USKYXYRATOVBPT-SNVBAGLBSA-N 439.047 2.164 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 1141766243 IUFNASJPONUPQG-AWEZNQCLSA-N 441.912 2.211 30 10 IEEE CCOC1CC(O)(CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1155886133 OWACHWNMAIQGKW-YZOUICBYSA-N 429.517 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)COc2cccc(C#N)c2)CC1 1160191207 UYXZNQMSXKUXEN-IBGZPJMESA-N 442.516 2.007 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(CCO)c3)nnc12 1161461820 KAMBUZUXAOJAKQ-UHFFFAOYSA-N 435.509 2.496 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1195262185 YLAYUWQBUXKSDB-UHFFFAOYSA-N 447.326 2.093 30 10 IEEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CCC[C@H](C#N)C3)C2=O)cc1 1197621705 IKEWNDRCWIYLMT-MIQLPHMESA-N 442.541 2.473 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1216852017 GSVFANBUEJIWKW-OAHLLOKOSA-N 429.502 2.199 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1251540159 ROCRXQBFNRCOAB-UHFFFAOYSA-N 441.557 2.060 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CCC1 1286358153 BRIKBUDTQLCQEP-GDLZYMKVSA-N 433.965 2.232 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286392683 MUKQMTSOHAZIIK-LEWJYISDSA-N 440.569 2.383 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1286394795 WTGPOWXBFLPNGA-LJQANCHMSA-N 441.582 2.309 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1 1286533933 MOMSWMKMYZNNIQ-ZDUSSCGKSA-N 435.282 2.464 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2)CC1 1286652320 VKIORPIHICEZHX-IIBYNOLFSA-N 433.578 2.198 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1286787596 XDJABGWOVKDZCQ-SFHVURJKSA-N 439.907 2.269 30 10 IEEE CC(C)CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCN2C1=O 1287733266 FHWHUZYSJBKAMO-IBGZPJMESA-N 437.548 2.170 30 10 IEEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1291079407 BBJJBPYIXDKYPZ-UZUQRXQVSA-N 425.533 2.489 30 10 IEEE CCc1nnc(N(CC)C[C@H](O)c2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1292873484 BWEZOKLTUYSNRU-XJUMHSELSA-N 438.532 2.235 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)s1 1295097606 HZBKVGPUFNYHTD-SFHVURJKSA-N 447.582 2.062 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300349764 ZBFPMSGBOPISAG-UHFFFAOYSA-N 433.560 2.267 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)nn(C)c1C 1300438342 MFGXNXNPIYUDPW-UHFFFAOYSA-N 440.577 2.015 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C(C)C)N1CCOCC1 1300439075 ZSQNLOHYPSTMGP-GOSISDBHSA-N 449.397 2.472 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300648479 FBUIKUYIBDLVFH-LJQANCHMSA-N 445.564 2.291 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2cn[nH]c2)CC1 1300718452 OSSDGGJDTZUELK-UHFFFAOYSA-N 431.544 2.439 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1300993475 AGYZPLSBZHORAU-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301259204 HXMABSKOQIFMRE-KNQAVFIVSA-N 430.553 2.117 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1301379591 PBGIPBSNCASQDN-ICSRJNTNSA-N 436.520 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301577574 LXDRPJPTNWTGCY-GOSISDBHSA-N 430.578 2.006 30 10 IEEE COCCN1C[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1301863041 FBKOIOQEVUHFHZ-KGVIQGDOSA-N 430.553 2.145 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1302979242 OZGJTVVKGUOMAI-QFIPXVFZSA-N 435.463 2.308 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)CC1 1303011053 AZUFHDSHGRJEBQ-GOSISDBHSA-N 427.553 2.152 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1305535264 ZRKKJRKMTKYOFW-UYAOXDASSA-N 446.596 2.180 30 10 IEEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 1315987044 FDKUSYCHYSSSIU-UHFFFAOYSA-N 438.532 2.247 30 10 IEEE CS(=O)(=O)C1(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316335846 HYAVLFSOKQKPPC-GOSISDBHSA-N 437.472 2.015 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCCO2)C1 1321293753 WRKIDHOLQFSQOB-UXHICEINSA-N 436.520 2.271 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)COC)c1 1358903479 YEYFTKTWHUTUKU-KRWDZBQOSA-N 449.559 2.478 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)N1CCOCC1 1358953238 PNNOKIPRPYNDEZ-MRXNPFEDSA-N 448.365 2.410 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358990883 FYKOBABCTRGDIH-GOSISDBHSA-N 432.450 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OC)CC1 1359043861 LZARSMIRTVGEPD-UHFFFAOYSA-N 445.527 2.066 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)C(=O)NC 1359101282 MQYUIAGSYFXISR-GMBSWORKSA-N 432.594 2.433 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1359190841 FHXAEAAQMZFOFS-UHFFFAOYSA-N 428.581 2.498 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N2CCOCC2)C1 1359322720 AXWXWVTUNPFEDF-PZJWPPBQSA-N 441.576 2.380 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1360798810 PSXNSFSPXHPIIA-IRXDYDNUSA-N 444.923 2.154 30 10 IEEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2Cl)C1 1456807664 DLRFYHRUJHJUJY-UHFFFAOYSA-N 434.901 2.360 30 10 IEEE COC(=O)[C@H](CCC(=O)N(C)[C@@H](C#N)C1(SC)CC1)NC(=O)OCc1ccccc1 1462375216 FESWBKHDBXAFTO-IRXDYDNUSA-N 433.530 2.481 30 10 IEEE C#CCCN1CCC(NC(=O)c2cnn(C(C)(C)C)c2I)CC1 1465396279 AYHNPLLBODLKGT-UHFFFAOYSA-N 428.318 2.460 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1471145617 VHDYRPVBCBEIOL-LEWJYISDSA-N 439.560 2.362 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)s1 1471759360 ZAGCHDGIARRQRU-YPMHNXCESA-N 426.482 2.371 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 1475667810 VMQPOOMDBPWZAG-NRFANRHFSA-N 433.574 2.052 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 1476804355 LJIVXXUNFAFKMM-OAHLLOKOSA-N 447.458 2.130 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccc(Br)cc1 1478897471 ZQLGYGHOJCYEND-GOSISDBHSA-N 433.350 2.073 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@@H]1C 1494672859 AIJNFUQSNWCNBI-CABCVRRESA-N 434.591 2.086 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)C#N)ncn1 1503832146 VEWJRJBDUHQHLW-BRWVUGGUSA-N 425.541 2.226 30 10 IEEE COCCN(Cc1ccco1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1504878617 LZZGHLTWWKDRQS-VHEBQXMUSA-N 442.520 2.348 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1505314464 DPAYYFAMEDSKFA-VGSWGCGISA-N 444.486 2.112 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F 1507514109 PFTUCVARZMBENT-AWEZNQCLSA-N 436.438 2.284 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1507587939 BRESABVIQZQJSF-VQTJNVASSA-N 443.573 2.018 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCS(=O)(=O)CC1 1507612115 RDFWYIFDJFFFHI-UHFFFAOYSA-N 425.514 2.494 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507630343 XGMJWEBAJDJYAC-ICSRJNTNSA-N 445.589 2.418 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1CCOCC1 1507664027 FVAUAHYYTRVNSB-UHFFFAOYSA-N 430.516 2.200 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O 1507682241 KXMSGLZGZGPAIN-UHFFFAOYSA-N 446.396 2.168 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCSC2(C)C)CC1 1507732307 FHONQZTVPNMWKL-FHWLQOOXSA-N 433.622 2.289 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(OC)C2CC2)CC1 1507732573 PTVLECCWWCSCBO-XMMPIXPASA-N 439.560 2.436 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](COC)C1 1507743803 KAVWWOGOCATAOU-LJQANCHMSA-N 443.573 2.365 30 10 IEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1507751351 HSGITPZVRCAIFV-INIZCTEOSA-N 438.557 2.031 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NC)CC1 1507754353 WJHYZRPISAWTBN-UHFFFAOYSA-N 437.573 2.109 30 10 IEEE C=C(Br)Cn1c(CC2CC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507787839 HUNFHKSOJCDVCZ-HNNXBMFYSA-N 447.399 2.169 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@@H]1CC 1507931197 WZXSCIGEXBSGRJ-KRWDZBQOSA-N 445.593 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](COC)C1 1508078819 JSTGATDPWOKLEP-INIZCTEOSA-N 427.505 2.229 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1C 1508094444 XZDLRHXQOYMWIS-IKGGRYGDSA-N 448.568 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1508148410 HFJUCACLLJPHMI-IEBWSBKVSA-N 434.562 2.382 30 10 IEEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1511595061 HYRHLPJRGXPFOR-OXJNMPFZSA-N 448.597 2.004 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1519324294 GJZFFUNZHQZMNR-SFGWALBWSA-N 429.521 2.029 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2COCCO2)CCO1 1521121319 JSLWEFBWJJESLL-DLBZAZTESA-N 448.321 2.242 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(Cl)cnc1Br 1525398603 IBUXKHNOCYVHMS-UHFFFAOYSA-N 429.683 2.175 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C#N)c(C)n1)C2 1534890290 JVPRXMWXULVWLH-ZMPRRUGASA-N 428.489 2.180 30 10 IEEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CCO2 1537523821 OSHSCJGWPRNHLI-NPFVIJTESA-N 447.919 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCC(OC)CC2)CCCC1 1538962699 NUECJCAVXMZRLD-SFHVURJKSA-N 430.597 2.298 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccnc1C 1539004134 SAJCEMOHPVKKDE-INIZCTEOSA-N 442.527 2.474 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1539004802 NNZACLOTBRXHEF-INIZCTEOSA-N 435.532 2.163 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1539311874 ABSFOILBINMQMW-HSZRJFAPSA-N 441.539 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NC2CCCCC2)CC1 1539480560 BWWHHIKEVLOXJK-UHFFFAOYSA-N 442.608 2.281 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2F)CC1 1539484255 JBDMZKQREXUHKT-UHFFFAOYSA-N 432.503 2.417 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1539585904 CEHLXDJSCWMROF-UHFFFAOYSA-N 435.326 2.324 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1539627681 KXJLIQQRZMZTOG-LPHOPBHVSA-N 431.562 2.335 30 10 IEEE CCO[C@H]1COCC[C@@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540832518 PQQLKEOZVUOSCN-QRWLVFNGSA-N 429.496 2.346 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(C)C)CC1 1555198788 NLYMZJZHDHVNEH-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE C#C[C@@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1556781505 IAANZOULZRLJGH-QGZVFWFLSA-N 437.315 2.356 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 1557384492 PQHZWBVFNJVFRA-PKTZIBPZSA-N 428.492 2.486 30 10 IEEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CC[C@](C)(C#N)C2)cc1 1557619381 ASCFKUQBXKXMQX-PKOBYXMFSA-N 425.576 2.247 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1cc(Br)ccc1Cl)c1cc[nH]n1 1558395633 DQXZOGXHRGMTHN-UHFFFAOYSA-N 443.685 2.426 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN(CC#N)C1 1558940310 PFMSIVFBQYBVKT-LEWJYISDSA-N 443.592 2.363 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C(F)(F)F 1565253303 KCPBCVOMEVWNCY-BQBZGAKWSA-N 436.321 2.071 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1565459487 LCDCXOZBJMOECL-IBGZPJMESA-N 433.505 2.016 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1)c1cc[nH]n1 1583718235 FNLQTOMHBXMNOU-HNNXBMFYSA-N 438.843 2.086 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@](C)(C#N)C1)n2C 1586807620 DNDZFRWAACQSNZ-OAQYLSRUSA-N 431.562 2.299 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1587651303 LNDFXAYBHOOCMM-HRAATJIYSA-N 446.646 2.300 30 10 IEEE C#CCCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1587793919 XQQMARJJWJHKDH-FGSXEWAUSA-N 431.537 2.057 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1587975169 QLKIHIZRUAZRRI-UHFFFAOYSA-N 445.531 2.139 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1nccnc1C 1588024529 GJBCMJOQFPTOSD-CALCHBBNSA-N 425.537 2.459 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@H]1C 1588386208 NWQALTMASXHHCJ-SBUREZEXSA-N 447.580 2.392 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCCC1 1593884120 CCDJCISFXWDMQT-MRXNPFEDSA-N 431.990 2.380 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1596365073 AIQWPTKFGODNTQ-SFHVURJKSA-N 440.525 2.485 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1614586269 GNVWHGCNBLTIBF-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)C)C1 1617401485 ZMVOGQUJFADVIF-GOSISDBHSA-N 446.577 2.150 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1619614588 MCCFHSPZJHECLC-ROUUACIJSA-N 426.496 2.296 30 10 IEEE C#CC[C@@H](NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F)C(=O)OC 1626187567 BNCFEFZAUXXAKR-LLVKDONJSA-N 445.195 2.343 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(F)c2C(N)=O)ccc1F 1627120601 VCRPFDCMWCEKEG-UHFFFAOYSA-N 429.832 2.434 30 10 IEEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)C1CSC1 1629033812 JBOKFSFWDLUSLM-UHFFFAOYSA-N 448.614 2.114 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)[C@@H]1CCCc2ccccc21 1635883960 GCZHVJZFPAADAK-VGOFRKELSA-N 426.538 2.499 30 10 IEEE C=CC1(CC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CN(C(=O)OC(C)(C)C)C1 1637164840 NNWOZOJJWLIDJA-UHFFFAOYSA-N 437.562 2.196 30 10 IEEE COC(=O)[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)Oc1ccc(F)cc1 1637712676 GJRAADMTYAMAQA-DLBZAZTESA-N 437.468 2.449 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(N3CCOCC3)CC2)C1 1642549879 RTKNLLLEAZSLED-UHFFFAOYSA-N 433.350 2.080 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)CC2)cc1 1643437900 HQLKLVIUQWIGTH-AZUAARDMSA-N 447.557 2.415 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4cccc(C#N)n4)CC[C@@H]32)CC1 1651146491 FALVJJCHXXRXNL-ROUUACIJSA-N 426.521 2.325 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973803 XIRCIPADZREXBA-UHFFFAOYSA-N 435.546 2.070 30 10 IEEE C=CCCc1ccc(S(=O)(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)cc1 1662260347 KFBKKXSFXBFPON-NRFANRHFSA-N 429.498 2.474 30 10 IEEE C#C[C@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)C1CCOCC1 1665156795 VRHCVSTUHCCQSJ-KRWDZBQOSA-N 432.464 2.004 30 10 IEEE N#Cc1nc(NC(=O)NCCS(=O)(=O)CCc2ccccc2)ccc1Br 1679661240 HOMWSLBYWMFWBO-UHFFFAOYSA-N 437.319 2.495 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1683641366 BHHMVFAZFPJWPU-KRWDZBQOSA-N 428.537 2.432 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689878346 FOUDAORNLHYHER-LJQANCHMSA-N 426.542 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1690048534 LBWAOQLSCVQQDF-FMWKFLBASA-N 433.556 2.137 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1690113965 YZXIJDLSXXITNQ-QPPBQGQZSA-N 439.560 2.073 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 1690117334 DLIGGQIATJWBGO-LJQANCHMSA-N 438.576 2.261 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC(C)C)N(C)C)CC1 1690146460 OBHXWNJWKZCQQV-SFTDATJTSA-N 444.624 2.462 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CCCCC1 1690188601 LVANCNVYDGTHBE-HSZRJFAPSA-N 442.608 2.444 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690228499 YKLPYDUZSQSQPE-UONOGXRCSA-N 433.372 2.094 30 10 IEEE C=C(C)COCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1690320578 XKTTVQPAXJOPKY-FQEVSTJZSA-N 439.560 2.292 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1690528266 YRNORBIQSGMQID-SJORKVTESA-N 433.553 2.468 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1690658930 DWCCJONSOZPBOP-UHFFFAOYSA-N 440.548 2.111 30 10 IEEE C[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1693637419 BNUHIIYJBXUYBQ-AEFFLSMTSA-N 446.577 2.150 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1694341151 BBRHPOGHHXWIGE-AOMKIAJQSA-N 429.569 2.241 30 10 IEEE CCCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1695266902 JXXJEJVOBXRTEU-UHFFFAOYSA-N 446.577 2.105 30 10 IEEE CCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1696431390 GNXZCYWNFPPBCZ-OAQYLSRUSA-N 425.468 2.153 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705491587 FMKSCYFUPUYHJP-IHPCNDPISA-N 429.590 2.249 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1705495580 RRIKJJNBRAUXRV-APWZRJJASA-N 428.558 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)N1CCOCC1 1705575149 BUZOBBGCYGHFOO-UHFFFAOYSA-N 445.365 2.219 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCn2cc(Cl)cn2)CC1 1705637146 LBUJOUMQPPVPDE-UHFFFAOYSA-N 425.924 2.259 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705649465 YPFJALVBCFOFQA-UZUQRXQVSA-N 426.565 2.047 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705693448 GRJAPFMMHCFRHQ-MLHJIOFPSA-N 442.568 2.305 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1705863870 JBWBWESDSKDUAD-SFHVURJKSA-N 444.605 2.489 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705931633 WIBZGPYBLOYQQW-FXAWDEMLSA-N 440.573 2.090 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)Cc1cnn(C)c1C 1705932997 QOHDTNNSGZPTHL-UHFFFAOYSA-N 444.561 2.233 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1712168090 XNLHTTVVKCEKFW-UXHICEINSA-N 439.495 2.212 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722352386 PYORFEXXWNBIKV-YRXWBPOGSA-N 445.564 2.266 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722354278 MTCFKFUQMNTZSV-OALUTQOASA-N 435.576 2.474 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722360496 IDWQHUABFMMGNZ-XMSQKQJNSA-N 443.573 2.090 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722362437 NOGCTWAUQPTIBY-HXUWFJFHSA-N 427.574 2.058 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1722364039 WLOCXRACKPXGJI-INIZCTEOSA-N 435.347 2.480 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1722368095 YTVUAMUZZRQFFJ-HNNXBMFYSA-N 428.436 2.160 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1722381736 AZGLPKVLYWBRRB-XZOQPEGZSA-N 433.556 2.318 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1722385801 PCGGWEYXBCLGDL-UHFFFAOYSA-N 445.502 2.041 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722395688 AIYVWRRIEDSLNB-IFMALSPDSA-N 447.539 2.411 30 10 IEEE C=CCn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1722689431 QVNSLQHYPPFXHU-OPAMFIHVSA-N 430.505 2.187 30 10 IEEE COc1ccc(O[C@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1730182389 CDMVWAWJOQNERL-DLBZAZTESA-N 448.531 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1740542504 WORXRTNBSIZRCK-RBUKOAKNSA-N 440.592 2.446 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1740662748 WWUSDDGOYZAMBU-NSHDSACASA-N 446.396 2.220 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2csc(CC)n2)CC1 1740690675 ZKVLNINNSMEJSD-UHFFFAOYSA-N 443.621 2.213 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[C@@H]2COCCO2)CC1 1740704817 YIOHUKIGJFABAP-HXUWFJFHSA-N 437.544 2.025 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COC)CC1 1740761972 BCEJYHVQGLAKFI-GHTZIAJQSA-N 445.589 2.207 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1740775555 AUADOGAGWOBIEL-UHFFFAOYSA-N 448.568 2.097 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740792892 BTMMSMUHLMYFKI-HSZRJFAPSA-N 426.565 2.158 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740809783 MEFIIYWBJINLDR-LBPRGKRZSA-N 427.818 2.353 30 10 IEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1740855738 WWBZQPKPFCKWAE-HXUWFJFHSA-N 447.543 2.390 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1740871457 DOCKNMAJINKWSB-UHFFFAOYSA-N 435.536 2.334 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1C 1740939308 UVQKUQIQCBXJJQ-PKOBYXMFSA-N 438.536 2.232 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC[C@@H](O)C1 1741477606 COPCZQWIQRISDR-GBESFXJTSA-N 438.580 2.404 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744717428 JKZPMNKAEVFGJX-PNBGARPFSA-N 440.479 2.084 30 10 IEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1747424742 FDXGSUUKGFNAIR-UHFFFAOYSA-N 444.561 2.314 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C 1747432608 DHJDOCPLBWIVER-OAHLLOKOSA-N 434.591 2.088 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCN(CC)CC1 1748658645 UTQKGDUVBPZXRI-LJQANCHMSA-N 440.592 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCc1ccco1 1748890993 RMVLNESRLLTGDW-UHFFFAOYSA-N 447.495 2.335 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3c(CC)cccc23)CC1 1748971119 DITIHEJOTNRYEB-UHFFFAOYSA-N 447.587 2.458 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749133680 OXNPSORVPSUKFB-VFSLUADLSA-N 427.549 2.485 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1749209385 WAFBJIXAXXPPNS-AVRDEDQJSA-N 432.569 2.089 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1749229151 HWWAQWCEPPNJMY-MRXNPFEDSA-N 447.565 2.081 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749657566 AWYKPSLJMRUGGQ-INIZCTEOSA-N 442.951 2.396 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Cl)cn2)C1 1749693573 KUKVIGPEHNSCAX-INIZCTEOSA-N 442.911 2.257 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](CC)C1 1749730377 BMNQTOCEFODOBY-HNNXBMFYSA-N 442.545 2.431 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1750061118 LVKQOSQSPGODIW-YCPHGPKFSA-N 443.483 2.141 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1752307879 NTIHZOSGAHRERX-HUUCEWRRSA-N 441.513 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760121849 YIEWHGLYUNPKLF-IRXDYDNUSA-N 432.569 2.361 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760137720 WRIWDMZHOKZGJN-IAGOWNOFSA-N 430.553 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760250483 IVFKCQDLUOAFCL-WMZHIEFXSA-N 428.508 2.432 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760282541 HLKRSOMWMXEIHH-UHFFFAOYSA-N 442.589 2.385 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1760296247 ZPJNFMICYNEZDS-MGPUTAFESA-N 449.964 2.300 30 10 IEEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)CCNS(C)(=O)=O 1760343908 DMVFZJFPOINHIZ-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)CC1 1760404739 HEHFZWIKCBUCGC-UHFFFAOYSA-N 431.562 2.214 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(OC)CCOC1 1760482773 PTBIEOAVNFTELQ-QHCPKHFHSA-N 425.533 2.399 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760559902 VESPPLDTQBEVKQ-IIBYNOLFSA-N 437.610 2.500 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@H]1CCOC1 1760692671 CBLVEMJZZDEUAG-HOTGVXAUSA-N 437.504 2.385 30 10 IEEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760833072 QEVASEHGWRFVLC-LJQANCHMSA-N 449.559 2.036 30 10 IEEE CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1761260266 RTQVZZLFIDXADR-UXHICEINSA-N 449.559 2.085 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1767496548 UXCWDCMYWPFNKW-UHFFFAOYSA-N 436.520 2.427 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1767688918 AOKSTOKMWFDSTD-NFOQDIRWSA-N 445.495 2.334 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(=O)N1 1770755295 VNMAFNUIOWZODK-CQSZACIVSA-N 432.326 2.444 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1771246621 LPWHWHGLTYXCCJ-IBGZPJMESA-N 429.521 2.131 30 10 IEEE C=CCN(C(=O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1)[C@H]1CCN(C)C1=O 1850564246 PUWLSGROWHZQOH-ZWKOTPCHSA-N 441.450 2.204 30 10 IEEE N#Cc1c(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)nc2n1CCCC2 1851698924 FPVDFFNRYOJEQQ-UHFFFAOYSA-N 431.431 2.345 30 10 IEEE Cc1ccn(-c2cc(N3CCN(C(=O)c4cn5cc(C#N)cc(Cl)c5n4)CC3)ncn2)n1 1852339802 YTOCDJFZCVIQAQ-UHFFFAOYSA-N 447.890 2.106 30 10 IEEE Cn1nc(C(F)(F)F)cc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852514292 VPHRPACUVLPQQC-INIZCTEOSA-N 438.406 2.247 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1853681603 ZJSNVRNUGCSPCW-OAHLLOKOSA-N 425.457 2.050 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3ccc(F)cc3Cl)C2=O)CC1 1857072593 GKZTYZKFXUEESH-SFHVURJKSA-N 427.867 2.309 30 10 IEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2F)c1 1862561039 PBMLXGDEWGRPFA-HXUWFJFHSA-N 443.450 2.458 30 10 IEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(F)cc2)cc1=O 1871008039 DIJOTAVKIQWIHM-UHFFFAOYSA-N 441.484 2.307 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2ccnc(N(C)C)n2)[C@@H]1c1ccc(C#N)cc1 1889339057 IMJSNMYWLRDKMB-VQTJNVASSA-N 438.557 2.124 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3F)CC2)CC1 1890179838 IULLUTUOJOTJIH-UHFFFAOYSA-N 431.552 2.242 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CN(c3ccccn3)C2)[C@H]1c1ccc(C#N)cc1 1891986073 MYTRDMMYLKJACC-YADHBBJMSA-N 435.553 2.352 30 10 IEEE C=CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)C(=O)OC(C)(C)C 1985006540 FEJCMJVUVHRQDW-CVEARBPZSA-N 427.542 2.144 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2174786887 OHKBVUIJYUZGQW-PMACEKPBSA-N 429.498 2.062 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]1CC(=NO)C2 2193810260 LJPHLJKDVDZQPN-AUSJPIAWSA-N 437.493 2.188 30 10 IEEE N#C[C@H](c1cccs1)N1CCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)CC1 2195975585 HJSQYRZKNMSMLP-AQNXPRMDSA-N 426.542 2.312 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@](C)(O)[C@H](N)C#Cc1ccccc1Br 2227464858 WAPMOGQVBWDVQN-APWZRJJASA-N 427.339 2.420 30 10 IEEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2235731653 QWDFARPCGQDEEY-UWVAXJGDSA-N 439.350 2.433 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2247861195 HUZPRLQORYOGSG-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE Cc1cnc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255612598 SXWHHQLKCFJQJU-HZPDHXFCSA-N 431.342 2.475 30 10 IEEE Cc1c(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255626889 LQNMEYGGSIONSW-CYBMUJFWSA-N 436.362 2.013 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCC(N)=O)Cc3ccccc3)cc2)OC1(C)C 2255752068 HCKVDBPQXXXBPC-UHFFFAOYSA-N 444.362 2.052 30 10 IEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267012739 ZISILZPRMBJGRO-CABCVRRESA-N 448.373 2.189 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC 2267127221 QBIXOMYVHXAGKR-UHFFFAOYSA-N 448.373 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267139135 BPLWKWPSTWVZLT-SQWLQELKSA-N 446.357 2.084 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2267222078 WAKBGORSWWCJQY-ZWKOTPCHSA-N 446.353 2.004 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267493894 AMVYOGLIEVIUKG-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cn1cc(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267499696 XLVJEOZDDKPBRS-GASCZTMLSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267519713 IHGIUSPNTDQHIC-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE Cn1nc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548090 DJHXCKANIHIHDJ-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2267548584 HAOBHICRKJSONN-LSDHHAIUSA-N 446.357 2.197 30 10 IEEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267591725 HHHFQUVSISUSPS-JOCHJYFZSA-N 446.357 2.199 30 10 IEEE Cc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267599734 VCQCJHAFXCNIPK-UHFFFAOYSA-N 446.353 2.318 30 10 IEEE CCN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267880267 RNYHHXBIQWAIPU-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2268645035 SBPNXJTZRPQCSC-UHFFFAOYSA-N 446.353 2.462 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2268655847 QHOPJHTWLNUJKN-ZBFHGGJFSA-N 447.341 2.344 30 10 IEEE C=CC[C@@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2270533909 BKQGTTLYTSKNKQ-CZUORRHYSA-N 438.424 2.183 30 10 IEEE Cc1cccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 2322659680 PADGSFAYKNMHSC-ZDUSSCGKSA-N 425.308 2.120 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1cccc(OC)c1O 2328681778 ZQQVXCCFVIVLIV-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1NC(=O)OC(C)(C)C 2337202939 QTIOQDUJJAFWIH-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 111047877 AFIIODVABJXUFS-SFHVURJKSA-N 443.500 2.139 30 10 IEEE C#CCSCCNS(=O)(=O)c1c(N)cc(Br)cc1Br 231932023 SAUSGWFQPVCRHF-UHFFFAOYSA-N 428.171 2.439 30 10 IEEE CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 468363017 RXBSNWMVVLORDJ-UHFFFAOYSA-N 447.538 2.474 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473436696 WPDGQZDCXGEJRR-INIZCTEOSA-N 438.509 2.167 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(Oc3cnccn3)CC2)cc1 488370775 IAXWJSMNOVGWDF-UHFFFAOYSA-N 431.518 2.358 30 10 IEEE CC(C)N1C(=O)C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 503625070 DXOHZUPIKVLOOQ-MGPUTAFESA-N 434.899 2.362 30 10 IEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508828464 UVVQJVNPWIXICD-KPZWWZAWSA-N 436.310 2.238 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 510477776 FVTBRZDGAHDTJP-AZUAARDMSA-N 428.514 2.046 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C1CC1 522673378 MBORHCLEEKUAIV-UHFFFAOYSA-N 428.897 2.499 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c1 524199060 LBPSDKCFXRTMSW-KRWDZBQOSA-N 426.513 2.409 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1Cc1ccccc1 525265788 LUJLURFBNPCXJZ-UHFFFAOYSA-N 447.560 2.134 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCCc3cc(Cl)c4c(c3)OCCO4)CC2)n1 544886291 CATRMJOXPKVONU-UHFFFAOYSA-N 427.892 2.452 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2C[C@@H]2CCCO2)cn1 549458310 YBCZIUYWIXQIOH-SFHVURJKSA-N 436.495 2.195 30 10 IEEE C=C[C@H](CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 555521558 PJSQFGJLDHMUST-WOJBJXKFSA-N 435.572 2.309 30 10 IEEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603801877 UCXQILZMAMVABT-JOCHJYFZSA-N 434.544 2.167 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCOc4ccccc43)CC2)cc1 609783250 FWDHGASUTOSOHS-SFHVURJKSA-N 425.510 2.348 30 10 IEEE N#Cc1cccc(-c2cnc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)[nH]2)c1 610890577 BJJADZKBPWVFRY-HXUWFJFHSA-N 435.509 2.418 30 10 IEEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730708443 FTNRNVYQUWZUIM-ZBFHGGJFSA-N 440.529 2.270 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCN1C1CC1 732649537 KHWVPCPHBBQONH-DOTOQJQBSA-N 432.471 2.339 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1ccc(C#N)cc1 740177231 CBOBWVPJHZAAMN-IBGZPJMESA-N 446.481 2.325 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 744839159 HKLQGUPLCUXEJE-YLJYHZDGSA-N 437.500 2.032 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)/C=C/c2ccc(F)cc2)c1 747612437 SBKYEBPGXCAYRC-XNTDXEJSSA-N 428.485 2.473 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1OC 752624305 VGSFGKXODQMVCN-KBXCAEBGSA-N 431.514 2.439 30 10 IEEE C#CC[C@H](NC(=O)[C@H]1COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757442866 BDDZTDODVHWVCW-FKBYEOEOSA-N 448.475 2.133 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H]1CC[C@@H](C(=O)O)O1 757488314 ZHJIMCWUPCFFIN-AOMKIAJQSA-N 448.475 2.277 30 10 IEEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757898230 NNLVCKJNOIRLRQ-BJIFSAINSA-N 435.502 2.006 30 10 IEEE COC[C@](C)(CCO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 758228476 ZYYGGEIXHOKUGS-IRJMIRDBSA-N 440.566 2.189 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760407562 WRKQGNVSJDGGJE-UHFFFAOYSA-N 441.575 2.249 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc(Br)cnc3Cl)CC2)n1 760618282 AEWGUPOSDGLGEZ-UHFFFAOYSA-N 442.726 2.275 30 10 IEEE CC(C)(C#N)CCOC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 776374690 PNMLYKKFPOBEFU-UHFFFAOYSA-N 431.308 2.285 30 10 IEEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1ccccc1Oc1ccccc1C#N 778312357 XPOLNMHTZJTHRJ-QGZVFWFLSA-N 443.481 2.353 30 10 IEEE C#CCNC(=O)CN1CCN(C(=O)c2oc3c(C)cc(Br)cc3c2C)CC1 778707310 ORUHFPASPMWWCF-UHFFFAOYSA-N 432.318 2.319 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ncnn2-c2ccccc2)C1=O 782982121 SYDVCOPRIGLRFM-GOSISDBHSA-N 445.508 2.407 30 10 IEEE CN(C(=O)CSCC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 787055680 AZTYUIZQKAQNKP-GOSISDBHSA-N 446.529 2.444 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790841395 FJIMRYFWEXJHRM-CQSZACIVSA-N 445.339 2.004 30 10 IEEE N#Cc1ccc(COC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1F 791291462 KKRJUAUWJRFLQN-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCC[C@H]2C)cn1 798362818 LDEVHUVPFSSYBG-SOLBZPMBSA-N 434.610 2.339 30 10 IEEE Cc1nc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c(Br)n1C 806117833 OYZNGDQQCXXWAZ-UHFFFAOYSA-N 441.282 2.039 30 10 IEEE NS(=O)(=O)c1ccc(C=NNc2nnc(-c3ccccn3)s2)cc1Br 807983444 MILLWSLWDQRDMZ-UHFFFAOYSA-N 439.320 2.456 30 10 IEEE CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 916921770 BGZLTVNYNKGQLY-HEOKHYPTSA-N 426.473 2.233 30 10 IEEE COCCn1cc(C=NNc2nc(SCc3nnc(-c4ccccc4)o3)n[nH]2)cn1 1084010393 YIZJLTPPUFAOIS-UHFFFAOYSA-N 425.478 2.436 30 10 IEEE COc1cccc(C(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1084257284 ONRXRMUNCPEFHL-UHFFFAOYSA-N 429.506 2.040 30 10 IEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2N)cn1 1084563908 VLTFWZYONQKIRK-UHFFFAOYSA-N 435.464 2.224 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)C2([C@@H](C)NC(=O)OC(C)(C)C)CCOCC2)c1 1125294341 QBTVFKNWGCOXII-MRXNPFEDSA-N 429.517 2.433 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1134429219 SWNYHDBQMCCJFR-XGHQBKJUSA-N 433.530 2.039 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1143458504 OZDVKJCPUIEIFX-SGIJDJSVSA-N 429.565 2.466 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccccc2)c2cnn(C)c2)s1 1154126529 PGMCPCOJSNPCOH-HXUWFJFHSA-N 430.555 2.394 30 10 IEEE CN(CC(=O)NCC(=O)Nc1ccccc1Br)C[C@H](O)c1cccc(C#N)c1 1171791316 GXWPWVGZJCXWTK-SFHVURJKSA-N 445.317 2.041 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C[C@H]3CCCO3)C(=O)OCC)ccc2c1=O 1177476393 RBWAZNCMTDRGGB-PBHICJAKSA-N 431.514 2.102 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1csnc1OC 1179122564 RAZWQXNFSDLDRG-HNNXBMFYSA-N 436.559 2.408 30 10 IEEE C#C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)C1CCOCC1 1231331229 ICTIMNQFCUWPCY-SJORKVTESA-N 425.407 2.196 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1286389268 HAZKINAFDBGOQI-FGTMMUONSA-N 431.537 2.413 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1286395832 SNKDAGONAMFNNU-SJORKVTESA-N 426.608 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCN(C)CCOC 1286401988 UTKHUPXHQYMZOY-UHFFFAOYSA-N 430.350 2.359 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)oc2ccccc12 1286466682 INVZYPQOZPCHOI-KRWDZBQOSA-N 442.541 2.369 30 10 IEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1)C1CC1 1286736509 GATLYBXHSCAEIA-HNNXBMFYSA-N 443.556 2.119 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1COCCO1 1286762822 NDEHIXVNLUXDIZ-IBGZPJMESA-N 429.521 2.148 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC[C@@H]1C 1286817334 LYXOMIVZWBFSEU-HOTGVXAUSA-N 438.525 2.383 30 10 IEEE C=CCSCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1286837501 YIVLHTXZIRIGFU-BBTUJRGHSA-N 438.594 2.234 30 10 IEEE Cc1oc(Br)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290636077 HRFGELPPGZSYIT-UHFFFAOYSA-N 438.303 2.369 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)c2ccccc2)CCOC1 1296662607 DYLVLSXXRVWPRT-QMHWCDLVSA-N 440.548 2.184 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1298499161 CCMGZBRTKXZMPH-AVRDEDQJSA-N 441.557 2.159 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC2(O)CCOCC2)c1 1300331497 LTOXMCALYPDRSR-QGZVFWFLSA-N 425.533 2.389 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1300498308 IWPTWLFRZHRJTA-SFHVURJKSA-N 434.537 2.061 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)COCCO1 1300641751 KAJFRBBMPXLASB-QHCPKHFHSA-N 441.507 2.099 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC=CO2)CC1 1300685929 VFNTZTZKHKSCMH-INIZCTEOSA-N 431.338 2.484 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[C@](C)(O)c2ccccc2)CC1 1300703999 YDOYPQTZFCSOFS-VWLOTQADSA-N 430.556 2.317 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCOC[C@@H]2C)CC1 1300709678 AUCFNDYBFXLHBQ-VQTJNVASSA-N 439.560 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCSC2(C)C)CC1 1300719571 HBNLLHCMRYKQFU-GOSISDBHSA-N 441.605 2.176 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300765557 HBNFUINQOFZPSN-GOSISDBHSA-N 433.603 2.034 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)c1 1300779499 XMHDVGSGWVSVJZ-XMMPIXPASA-N 436.560 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1 1300993380 WVLBTKQAIKBZIL-JOCHJYFZSA-N 429.517 2.442 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)cc2)CC1 1301108181 OPTIOJTZHLFXPK-UHFFFAOYSA-N 431.500 2.475 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1301289872 SQPYZHHKCPMFTB-SSEXGKCCSA-N 428.562 2.361 30 10 IEEE COCC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301519316 XFUAYLDLAYGIFK-QBNCKDSPSA-N 430.553 2.256 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cccc(F)c2)C1 1301567610 KLHCVNHKXGLOMO-KRWDZBQOSA-N 449.552 2.150 30 10 IEEE CC(C)CCN(c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1303057818 OJCJHPWNFZSRNI-XOMICKMZSA-N 428.537 2.323 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1303638590 AMQBIAIBRAUUCO-AEFFLSMTSA-N 436.582 2.240 30 10 IEEE C[C@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 1303880026 DICHDDBRYLOCFQ-PMACEKPBSA-N 441.492 2.337 30 10 IEEE N#Cc1ccccc1OC[C@H](O)CN1CCNC(=O)[C@H]1c1ccccc1Br 1307653370 FQYVMBGEQOLBLN-DNVCBOLYSA-N 430.302 2.234 30 10 IEEE COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1308127523 CQZWILPECMRVKU-NPPFBWRTSA-N 449.573 2.174 30 10 IEEE CCOCc1nnc(N2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(C#N)o1 1314398849 OYKDNUPFYUDIPG-OALUTQOASA-N 441.580 2.322 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1316212330 WRZRSMJIECQCDN-WCIQWLHISA-N 434.585 2.099 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1330145428 JPLOMQODTRNXFZ-WMZOPIPTSA-N 429.473 2.090 30 10 IEEE CCOC(=O)[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1CCOCC1 1357978330 JYNTWSIUNLTSJR-IRXDYDNUSA-N 425.526 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC1(O)CC(OCC)C1 1358997884 IMVLATWKSXXHKI-UHFFFAOYSA-N 426.492 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1 1359021144 DCZVYTSQDKYLEX-UHFFFAOYSA-N 434.525 2.394 30 10 IEEE C#CCN(CCOC)c1nnc(CC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359025038 BAVXOLKDNMJKMW-LJQANCHMSA-N 426.565 2.231 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1359266928 PDZBGFAUCCJZKK-CYBMUJFWSA-N 439.611 2.264 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(C)nn(C)c2C)C1 1359326895 MIRRDVULCWWFJQ-BJLQDIEVSA-N 430.553 2.182 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1359332902 JZZNINJOCFJGEF-UHFFFAOYSA-N 447.605 2.500 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOCC1CCOCC1 1360217946 ABWHNSZBTUGDNG-QFIPXVFZSA-N 432.569 2.380 30 10 IEEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435066377 SVXGJPUDPCFDAK-PXNSSMCTSA-N 438.915 2.380 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)c1cnn(C)c1 1456737464 YRGOGVPQUGSYCX-INIZCTEOSA-N 430.534 2.428 30 10 IEEE CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1465057415 GCUBIXQEJOBJKN-UHFFFAOYSA-N 431.493 2.302 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4sccc4CC#N)C3)[C@@H]2C1 1471432823 BBOLWDFLMJNHDX-XHSDSOJGSA-N 446.529 2.469 30 10 IEEE C=CCC1(O)CN(C(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)C1 1471823015 PTDLVXVYTCLAKD-UHFFFAOYSA-N 431.352 2.289 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)(F)F)c2)CCO1 1505322719 AEHNRVMQWYKBOU-MRXNPFEDSA-N 434.422 2.196 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507560160 CPEHTFARMJUXGU-SJORKVTESA-N 430.553 2.478 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CCC1)CC1CC1 1507587996 DBXVMXNGQQMNFQ-IBGZPJMESA-N 435.594 2.041 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N(C)C1CC1 1507711564 XFCWSGBUZSRTHD-DYESRHJHSA-N 425.533 2.359 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC=CO1 1507711756 ZBJITKKBTCTZOH-HXUWFJFHSA-N 437.548 2.231 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCOC2CCOCC2)CC1 1507738982 KAGGSANCCHHNJB-UHFFFAOYSA-N 443.592 2.487 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1507757400 TZFSPBUMAHWIJC-NRFANRHFSA-N 432.521 2.358 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1507948819 VBVULZLQNHWYKW-KRWDZBQOSA-N 425.537 2.316 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@H]1C 1508002319 DSHAXWDAEKXNGZ-MBSDFSHPSA-N 425.533 2.133 30 10 IEEE CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1509091221 FBMITZCLWVWCPF-FHWLQOOXSA-N 435.594 2.371 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1C(C)C 1509682560 DDCXFGLTNYDWNC-XYJFISCASA-N 437.552 2.010 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CCO1 1512497634 HXTIGMSJRZPVGD-MRXNPFEDSA-N 426.521 2.259 30 10 IEEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1516879808 QOZJLUIGLHTRIE-PMERELPUSA-N 429.546 2.280 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CCOCC1 1519922483 FWRCJCOHOPAKAT-QGZVFWFLSA-N 426.546 2.041 30 10 IEEE C#CCCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1 1522024640 SHCNTCQYWIUTBD-UHFFFAOYSA-N 440.521 2.090 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)CC2=O)cn1 1528065653 IHTKGTNDNUWERH-RHSMWYFYSA-N 435.406 2.282 30 10 IEEE COC(=O)C(C)(C)n1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1529368019 HQEAUOMVEKBDIW-CYBMUJFWSA-N 429.864 2.308 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)cn2)[C@H](C#N)C1 1532608027 TXLLNCFKQNGNHY-GFCCVEGCSA-N 442.257 2.271 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1539154338 OVOXXEYJELGTDA-HSZRJFAPSA-N 439.516 2.393 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1539221496 OQGRGBTYXJQHKA-HXUWFJFHSA-N 442.585 2.448 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc2[nH]c(C)cc2c1)[C@@H]1CCS(=O)(=O)C1 1539231783 WKVILQJWXJFSAS-LJQANCHMSA-N 441.557 2.279 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1539343486 KXEVQEGQFYCXSL-QGZVFWFLSA-N 445.589 2.478 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)CCCO2)CC1 1539436198 NIHDWYKDEVARLS-QHCPKHFHSA-N 425.533 2.287 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCC(F)(F)F)CC1 1539438112 ODLFOVPBHKQOBE-UHFFFAOYSA-N 446.433 2.125 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539531066 RGQZVGGJFWSWLQ-BRWVUGGUSA-N 442.651 2.432 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1539643438 WBOQZMVEKLCRTN-JTSKRJEESA-N 441.532 2.173 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1540151508 ITZACRMBPKGZNG-SLFFLAALSA-N 444.580 2.469 30 10 IEEE CC(C)(C)OC(=O)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)(C)C 1540648165 YMWIIZTWKTUUNZ-GOSISDBHSA-N 449.573 2.395 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCO)CCOCC(F)(F)F 1540856448 YWRNETYVTUKCIZ-UHFFFAOYSA-N 428.411 2.280 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1540873042 KREQIHCFOPUJMK-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540919396 PLMHSOCTICPIKY-INIZCTEOSA-N 425.562 2.103 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc(-n3cncn3)nc2)C1 1540971635 LQZAWCNSNNEBEP-UHFFFAOYSA-N 438.289 2.049 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1541989465 MOMYKUJXIYEMFR-NRFANRHFSA-N 442.545 2.008 30 10 IEEE Cc1ccccc1OCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1542784928 KFAZJFLPUCEZRS-CVDCTZTESA-N 441.532 2.435 30 10 IEEE COCCn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3ccc(Br)cc3)CC2=O)cn1 1543289413 UZNKSBDYFZHNFD-RHSMWYFYSA-N 446.305 2.026 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1546747520 MSLIDEAWKCEGHG-KFELILJXSA-N 444.536 2.050 30 10 IEEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1547075384 RNZQMBFGMZKBQG-KRWDZBQOSA-N 446.577 2.104 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@@H]1C 1547638837 FWHMJCCFYYLBPJ-ZWKOTPCHSA-N 433.564 2.497 30 10 IEEE COc1ccc(COCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1554953954 HPKWYZJCRQXCEL-QFIPXVFZSA-N 442.495 2.068 30 10 IEEE N#Cc1cc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncc1Br 1559054516 VJNIOMBNNIYFOO-UHFFFAOYSA-N 437.319 2.349 30 10 IEEE N#Cc1cccc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)c1Br 1565647290 RKGUOBDPYRLCBP-UHFFFAOYSA-N 443.349 2.443 30 10 IEEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 1565975930 PKSPEEAOAOBOOQ-QZTJIDSGSA-N 426.579 2.451 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3cccc(S(C)(=O)=O)c3)C2)C1 1569083863 DJQUPXRWSFKUDM-PSCUFVCCSA-N 447.557 2.493 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1587633402 UYNOGCXKVGIIET-HOIFWPIMSA-N 433.553 2.002 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1587804358 ZPTSRGJZLDUGJX-GOSISDBHSA-N 441.511 2.369 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1588871974 UEMMEJYFBIBJHQ-PMACEKPBSA-N 439.560 2.294 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](OC)c2ccccc2)CC1 1588969077 VHSDFIYXVQANGR-NHCUHLMSSA-N 437.544 2.483 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593741471 QAQVQZKBDVLUPJ-KRWDZBQOSA-N 428.541 2.060 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCOC1 1595291078 MCCHWNBXNKCCAD-QGZVFWFLSA-N 438.532 2.257 30 10 IEEE N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)nn(-c2ccc(F)cc2)c1N 1595533013 HGHJDUKMMQFINY-LMMKCTJWSA-N 438.507 2.209 30 10 IEEE N#C[C@H]1CN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CCN1C1CC1 1596809458 CMBZGDIZNUYLID-INIZCTEOSA-N 440.363 2.202 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1617907263 BSSHQHXCDZNWJE-QFIPXVFZSA-N 448.575 2.424 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1CCCO 1617907273 BWEUDLAWNUJMQQ-HXUWFJFHSA-N 432.532 2.090 30 10 IEEE O=C(Cn1nc2n(c1=O)CCCC2)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618130840 DBLQFIMMGNPDQF-RKDXNWHRSA-N 448.314 2.011 30 10 IEEE CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc21 1618171760 LGOMXNQRQLYZBD-HTAPYJJXSA-N 445.541 2.385 30 10 IEEE C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635276 IMQYTYRIVFDSBN-WLENULPWSA-N 437.521 2.115 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1c(I)ccc(Br)c1F 1625387999 SDCJRQXIQMSWHT-ZETCQYMHSA-N 426.023 2.307 30 10 IEEE CCN1CCN(C[C@@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1627134789 JWSIGSIUJOFDMA-FKOHWTJXSA-N 447.624 2.163 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1628661939 GJKSMDHZQYYEEE-INIZCTEOSA-N 441.431 2.047 30 10 IEEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCC2CCN(CC#N)CC2)C1 1629083092 WDOBUZKZRCCMPS-OFNKIYASSA-N 428.533 2.154 30 10 IEEE C[C@]1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1630119868 UDPFRMZPASDCBA-OAQYLSRUSA-N 427.482 2.270 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 1636324933 ZUTKDVJYPIFTKN-HOTGVXAUSA-N 431.562 2.432 30 10 IEEE COC(=O)[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)Oc1ccc(F)cc1 1637712679 GJRAADMTYAMAQA-SJORKVTESA-N 437.468 2.449 30 10 IEEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1640689009 WEQCGANJPIMLLK-KRWDZBQOSA-N 435.415 2.318 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)c1 1641769972 MIBRQHFPZBQTNO-LJQANCHMSA-N 448.523 2.236 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CC1 1644285504 QVYSUCLCKRLLRO-UHFFFAOYSA-N 446.598 2.003 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)C1 1644588848 INKAKRBFMNHJJI-DOTOQJQBSA-N 442.375 2.192 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 1645178707 RINAMBAZLHYPEJ-MRXNPFEDSA-N 439.335 2.072 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C(=O)OCC)([S@](C)=O)CC1 1654479992 UGXCUEITLJBVAL-HJWYETAXSA-N 426.604 2.427 30 10 IEEE C#CCN(C1CSC1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1670974973 PEQVWCCGFHLNDQ-UHFFFAOYSA-N 435.321 2.414 30 10 IEEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1672068248 AJTBTGNMJLPLDN-UTKZUKDTSA-N 442.541 2.398 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC1 1685140980 BPUFLLPBEBVYTP-WZONZLPQSA-N 432.565 2.337 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 1686620681 PBVJTNNZWBBWSY-UHFFFAOYSA-N 425.316 2.493 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)CCCC)CC1 1690124225 HPOUZGGAYFBDRX-QFIPXVFZSA-N 438.576 2.278 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1690177240 OPNRNIJKQPHMAA-GOSISDBHSA-N 446.573 2.001 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690510818 GCFIMKYCLNMHEE-ICSRJNTNSA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C 1690677227 RNRQQRKAYUJEAD-UHFFFAOYSA-N 433.944 2.369 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)C1 1690809148 CQKNTWMXOMMHEQ-GOEBONIOSA-N 427.509 2.003 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@H]1CCOC1 1691102008 ZISIBNGDNLLRDF-IBGZPJMESA-N 439.564 2.364 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC[C@H]1C 1693708298 ARHPSXXMNBRHKP-IAGOWNOFSA-N 428.562 2.335 30 10 IEEE CCOCc1nnc(N2CCC(OCCN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1696296263 COZXOCNHPZZXHX-UHFFFAOYSA-N 428.537 2.409 30 10 IEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1696785101 CIYKHKWHGCCGMV-UHFFFAOYSA-N 432.488 2.128 30 10 IEEE COCCOc1cc(C)ccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1698180623 RRSBTUPVTNLKDK-LJQANCHMSA-N 436.516 2.394 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC1CC1 1705478179 XPBKSHPFXBRRMT-DLBZAZTESA-N 445.589 2.492 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1SC 1705583166 RSNFBECFBHZCMK-HNNXBMFYSA-N 432.546 2.162 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COc3ccccc32)CC1 1705632584 VGOFCDGNKIUWBP-GOSISDBHSA-N 436.560 2.128 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)CC1 1705768938 DPKWEXCNKYTHOK-LJQANCHMSA-N 449.552 2.149 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1705861013 YUJXJOHRJJABBP-AUSIDOKSSA-N 436.516 2.099 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705871870 AUOJBYRPSZKBNX-MJGOQNOKSA-N 443.577 2.118 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1705876497 ZIYYWXQDOIFKFH-HOTGVXAUSA-N 445.536 2.225 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705894718 ISHPRBPWKCYMML-MRXNPFEDSA-N 441.536 2.012 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1705900111 QQXWLVDKSIZGFY-UHFFFAOYSA-N 439.564 2.117 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705909507 ZKMHFCULUVACJN-VAVNGKDRSA-N 431.581 2.218 30 10 IEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1705911042 WQABAZIPXNMQJY-GOSISDBHSA-N 439.516 2.013 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1705912781 ULQXXUSHWUJYJM-SFHVURJKSA-N 435.532 2.254 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1706040721 KLWKNHMRBDFGEQ-MRXNPFEDSA-N 439.545 2.499 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)O1 1708830150 LTCKURNAQOOYDD-WIYYLYMNSA-N 446.577 2.150 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cc(F)cc(OC)c1 1709136902 BDBZZHBUOCXNFW-UHFFFAOYSA-N 438.511 2.277 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C)OC 1712162009 QDHKSINYUJFARP-CUWPLCDZSA-N 440.548 2.063 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722280486 FMIJQSOJWZJYER-SJLPKXTDSA-N 443.983 2.394 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)NC(=O)OC(C)(C)C 1722352595 JFMKVQQCFGXSMP-UHFFFAOYSA-N 430.509 2.379 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1722354418 DROHLLPYZJKJPN-GOSISDBHSA-N 426.521 2.408 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccsc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722366443 RSYYIOLSIBAKLF-OALUTQOASA-N 435.619 2.358 30 10 IEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1722366566 SAIZNVZZFQYGNE-SFHVURJKSA-N 448.976 2.186 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1722366576 IVYVWHTUBFORCF-MSOLQXFVSA-N 440.635 2.332 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2c(C)cccc12 1722382472 HPKGSTOFRWNWTH-IBGZPJMESA-N 435.553 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C(C)(C)C 1722397779 UGCMPKDOUOKECF-HXUWFJFHSA-N 435.528 2.416 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](OC)[C@@H](C)CC)CC1 1722439662 KNIIUXILIOBTBR-FPOVZHCZSA-N 435.576 2.333 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)CC1 1722461794 GWAKQWOAXGUYHR-UHFFFAOYSA-N 442.618 2.060 30 10 IEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722541975 WNLAQCRADWWEPH-UHFFFAOYSA-N 434.888 2.213 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722695172 WBBWWISRSXBXPB-UHFFFAOYSA-N 446.433 2.467 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1c(F)cccc1F)C1CC1 1722697233 HPLKIUPMVNNMBF-UHFFFAOYSA-N 425.443 2.485 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1722813185 AZQFWLYQQWBNNP-NRFANRHFSA-N 449.559 2.228 30 10 IEEE CCCOCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1728239335 KOWFILTVGDSFRM-HXUWFJFHSA-N 438.532 2.104 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCc2cccc(C(=O)NC)c2)CCOC1 1728753619 FATCWWCILIPXSK-HXOBKFHXSA-N 440.548 2.271 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1729396604 GUWUREXSPNOOLY-LJQANCHMSA-N 431.500 2.222 30 10 IEEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)cc1 1730070557 MHCOMIQUIZPQCG-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE COc1ccc(O[C@@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1730182392 CDMVWAWJOQNERL-SJORKVTESA-N 448.531 2.439 30 10 IEEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1730767572 HTSOSBIQHQFDQF-UHFFFAOYSA-N 435.488 2.158 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1730850677 JCCIRQZFBUQJRU-HOTGVXAUSA-N 442.520 2.010 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1740724930 DZDUAUZSMAGHAL-TUACAJSNSA-N 445.608 2.279 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)CC1 1740842185 QLKFEJTXAIBSTN-HSZRJFAPSA-N 427.549 2.335 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC=C(COC)CC1 1740950833 JJBAFZJSSGDISY-UHFFFAOYSA-N 438.532 2.232 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1740982350 VDYDHQZXFWCEGB-DENIHFKCSA-N 431.968 2.370 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2CCCO2)CC1 1740992014 KZEPJKDFUZYRDV-RTBURBONSA-N 438.594 2.168 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1741005109 SDJFIHYOMFCXCL-INIZCTEOSA-N 431.562 2.452 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)F)cc1C 1742243687 IBAGQSZXVKPULW-CQSZACIVSA-N 433.463 2.267 30 10 IEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1742723679 CRBMGVRSRDOULV-NRFANRHFSA-N 446.515 2.361 30 10 IEEE CCN(CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1746324934 AWXADHGEZCGIKX-FQEVSTJZSA-N 438.580 2.106 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCSC1 1747432623 DXZCGUSTKJZDIL-KRWDZBQOSA-N 434.591 2.088 30 10 IEEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1747581391 HEWRRZJCMYNTDD-YLJYHZDGSA-N 434.610 2.185 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748815104 NJIWHCWYMUQIAU-PKOBYXMFSA-N 445.589 2.336 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@@](C)=O)cc1 1748940523 NABMBMUKUNBLIP-PRWCENSBSA-N 430.574 2.388 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2=CCCOC2)CC1 1749016349 BLJCELMGUZTBEK-UHFFFAOYSA-N 449.555 2.190 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749031967 PJXSRHQJYJXEKQ-AEFFLSMTSA-N 425.558 2.283 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749210694 MRPQCYNPQMLEFO-VGSWGCGISA-N 435.569 2.173 30 10 IEEE C=C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1749299588 QTHJCZNCKNGVPC-UHFFFAOYSA-N 428.562 2.485 30 10 IEEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749420235 BCEZTNCCHXKKCL-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCSC1 1749593879 BILDSADBEHNVAW-OAQYLSRUSA-N 432.546 2.223 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCc2ccccc21 1749953072 GZZAMVOARCRHNM-NPFVIJTESA-N 429.496 2.278 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1750081303 IOFQIPVHKLHARD-AVRDEDQJSA-N 443.573 2.174 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC2CCOCC2)CCO1 1750388600 QKKIJBFEEIUWKJ-OAQYLSRUSA-N 425.533 2.378 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([S@](C)=O)CC1 1760211529 HUUJHXKXVCZLIB-SANMLTNESA-N 434.363 2.410 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1760290825 RCRRYVDHHOVTJS-DNQXCXABSA-N 439.560 2.366 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760306164 CULHQMQTNOCOFR-KBPBESRZSA-N 428.331 2.358 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1760493858 DBWTUHDRCLXNEN-HNNXBMFYSA-N 433.534 2.152 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 1761903827 HGGAWVJLYHQZQM-QUCCMNQESA-N 438.580 2.330 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1762380959 TYNQMRLQWFKGSK-HSZRJFAPSA-N 432.532 2.282 30 10 IEEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CCCO1 1763206988 ASWBUXPMNIKFAX-IBGZPJMESA-N 443.596 2.031 30 10 IEEE CCOCc1nnc(N2CCC(C)(C#N)CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1766290270 OGWVQLNDTCBMPZ-UHFFFAOYSA-N 443.552 2.199 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[C@@H]1COCCO1 1766433531 QFXKZUQAEALZBV-UXHICEINSA-N 427.505 2.070 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1766473900 FCYVIRLNPBZMSF-LJQANCHMSA-N 436.520 2.273 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(F)(F)CO1 1767063900 OVRLZECZMRYUHD-KRWDZBQOSA-N 430.459 2.333 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCO[C@@H]2CCOC2)CCOC1 1767433796 CJCZEPVQRRLKDE-DENIHFKCSA-N 433.553 2.256 30 10 IEEE CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1767854605 LMDVKHUNXVWQII-HXUWFJFHSA-N 442.589 2.111 30 10 IEEE COC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1769245963 AEIQOTGLSGVPBI-WIYYLYMNSA-N 425.468 2.234 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1770105665 CCRHBIWYWXUVFF-HBMCJLEFSA-N 441.532 2.110 30 10 IEEE C=CCN(C(=O)c1nnn(-c2cc(F)cc(F)c2)c1-c1ccncc1)[C@H]1CCN(C)C1=O 1850862436 JKWVBWKRPHWQPM-SFHVURJKSA-N 438.438 2.466 30 10 IEEE CCOc1ccc(-n2nnc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)c2CC)cc1 1851373082 XQIYKAGFDIWUNE-SFHVURJKSA-N 434.456 2.472 30 10 IEEE Cc1nn2c(NC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccccc45)C3)ccnc2c1C#N 1853170264 XGPKKAFADBJHAD-INIZCTEOSA-N 427.468 2.420 30 10 IEEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(Cl)cc1 1855895555 JYJGWRLUVRSJRC-AWEZNQCLSA-N 431.901 2.202 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1856548885 TXOPOUPPDUZQCN-HKUYNNGSSA-N 429.542 2.235 30 10 IEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc3c[nH]nc3c2)c([N+](=O)[O-])cc1OC 1870156781 CPUWOMBWKKXERS-UHFFFAOYSA-N 434.372 2.193 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)cn1C[C@H](C)O 1870523062 IIZJQKFGBJIOCK-FQEVSTJZSA-N 439.556 2.141 30 10 IEEE Cc1ccc(S(=O)(=O)NCC(=O)Nc2c(C#N)cnn2-c2cc(F)cc(F)c2)cc1 1873685253 DYOASMNLGWYNEF-UHFFFAOYSA-N 431.424 2.248 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1 1874235406 HJKGDYBRVBFVSX-LSHDLFTRSA-N 443.485 2.127 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874338411 VSJRRYIMJFZNPB-IEEVUCOHSA-N 446.489 2.058 30 10 IEEE COc1ccccc1OCC(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890308660 UJUFMDJVJHTRGH-UHFFFAOYSA-N 443.588 2.111 30 10 IEEE C=CC1(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@H](O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 2019465885 GKZNHPYXMDPLOH-RCDICMHDSA-N 439.553 2.332 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2023018486 QSESAOWKKHKECI-XXBNENTESA-N 428.533 2.249 30 10 IEEE C=CCN(CC(=C)Br)[C@H](CN)c1nn(C)cc1I 2057520275 WSTOQNWKHOAGBY-LLVKDONJSA-N 425.112 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060622755 DHSAMKQIPLHDAY-LSDHHAIUSA-N 432.330 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C[C@H](O)C1 2073756842 MEUWWAGJAPPATQ-ROFQSWJRSA-N 436.358 2.489 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1COC1 2128734357 LZABELRJHOYWII-SFHVURJKSA-N 446.353 2.142 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(Br)c(C#N)c1 2141248068 NFMUXPFUQWRFBR-ZDUSSCGKSA-N 425.283 2.418 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678300 NJPMWOWGRNYKSX-HZPDHXFCSA-N 447.341 2.201 30 10 IEEE C#CCn1ncc(N[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C[C@H]2OCC)c(Br)c1=O 2162352744 QFBLYLKCTNMRIU-NJZAAPMLSA-N 441.326 2.122 30 10 IEEE CC1(C)OB(c2cnc(N3CCO[C@@]4(CCOC4)C3)c(Br)c2)OC1(C)C 2172782551 SPTBFLOOUZBQDM-SFHVURJKSA-N 425.132 2.139 30 10 IEEE Cn1nc(CNS(=O)(=O)c2ccc(C#N)s2)c(I)c1Cl 2174392433 JEBNAJWSXLCVPW-UHFFFAOYSA-N 442.691 2.090 30 10 IEEE Cn1ncc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1I 2247282399 XGYHETQEUBJVEH-UHFFFAOYSA-N 426.067 2.463 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2247875887 DWCDMIDHIQDYFG-UHFFFAOYSA-N 440.371 2.097 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254797559 ZDWMAOOESROMTH-UKRRQHHQSA-N 437.321 2.160 30 10 IEEE CC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2255654755 CLZISUZYJQVEON-UHFFFAOYSA-N 435.305 2.259 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826004 JCIZQTMSKWHYOW-HIFRSBDPSA-N 434.346 2.132 30 10 IEEE Cc1c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829021 IVSRNFSMHXZVQB-UHFFFAOYSA-N 436.362 2.061 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2255834250 LUULGOAUNOZXRN-GOSISDBHSA-N 425.338 2.459 30 10 IEEE C[C@@H]1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)C(F)(F)F 2256036464 YKSZYZOQHAIWIH-WBMJQRKESA-N 427.276 2.461 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256624966 ZJMYEQCTFSBXFW-YOEHRIQHSA-N 432.326 2.295 30 10 IEEE Cn1nc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CCC2)cc1B1OC(C)(C)C(C)(C)O1 2267121038 SPWQWNZNNWNFMX-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2267127514 RZPUPUATQSIYQN-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CCc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267146012 IHEJLCMORXCWAH-AWEZNQCLSA-N 448.373 2.021 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267187543 ZNDMPFZVWNADGR-GASCZTMLSA-N 448.373 2.189 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267197370 KQEGTCAMGQQNSN-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2267265877 LMULIHRAMJGEBT-UWWQBHOKSA-N 445.369 2.310 30 10 IEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1NC(=O)OC(C)(C)C 2267482338 BSKYUMXHTSPJAR-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267504647 VRSMNNHBWXYMOW-UHFFFAOYSA-N 435.337 2.236 30 10 IEEE Cn1ncc(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513361 NPRHJBKDHWTKMP-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CON(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267596078 YVQXLIFBFOBWDZ-OAHLLOKOSA-N 447.341 2.394 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873043 NBFBFRZUDHXAPB-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268715996 BUEHUYNIGYKIRH-GDBMZVCRSA-N 447.341 2.249 30 10 IEEE CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](N)C#Cc1cccc(Br)c1 2278735212 MPMNKQOXIINBMU-APWZRJJASA-N 427.339 2.420 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC2(C1)OCCO2 2282829918 MLIDVVXHJVMWIA-AWEZNQCLSA-N 443.396 2.320 30 10 IEEE CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(c3ccnc(C#N)c3)CCO2)n1 2296584471 AFIOXHQUOOJVHK-FQEVSTJZSA-N 429.484 2.153 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300300127 RLPGXRXTOWJNSD-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE C[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2300342337 SNUXKAMVVTUOFO-GFCCVEGCSA-N 437.371 2.428 30 10 IEEE COc1[nH]c(=NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2317502279 YRHUBMZIUQHYSS-KBPBESRZSA-N 431.342 2.089 30 10 IEEE Cn1c(C(=O)O)c(C=Nn2cnnc2SCC(=O)NCc2ccco2)c2ccccc21 2321876620 WCWAKPXSZWTWCZ-UHFFFAOYSA-N 438.469 2.352 30 10 IEEE COc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)cc1O 2327443226 RMDVAWYRMXTEAL-UHFFFAOYSA-N 449.439 2.309 30 10 IEEE CCCOc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329012558 DXJQAOVDMWLDHU-INIZCTEOSA-N 444.561 2.251 30 10 IEEE C=CC[C@]12C=C(OC)C(=O)C(OC)(OC)[C@H]1[C@H]1C(C=CC)=C[C@@]2(OC)C(=O)C1(OC)OC 2333289835 JSAXPXNTZVWWDV-JZZBYWGLSA-N 448.512 2.357 30 10 IEEE N#CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 9362458 VXUBQURNVMCDAL-UHFFFAOYSA-N 441.509 2.187 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(F)cc2)C1 256033018 KMUKCYFRXLFDFB-FVQBIDKESA-N 439.447 2.325 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCn2c(=O)nc(O)c3ccccc32)CC1 438605587 GXVUSAIDKKQRPQ-UHFFFAOYSA-N 433.468 2.265 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@H]1CCCO1 440381539 LYCLRINLQWVZPI-VQIMIIECSA-N 440.565 2.353 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC2CC(N3CCCCC3)C2)n1 484997117 SMZGQNZGSUFZKK-UHFFFAOYSA-N 426.908 2.469 30 10 IEEE COc1cc(OC)c(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c(OC)c1 488593877 JNYCUJIYGMLGQI-UHFFFAOYSA-N 429.458 2.025 30 10 IEEE CCc1ccc([C@@H](C#N)NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 489955004 QVFSNJVWJGAOGK-LJQANCHMSA-N 429.546 2.371 30 10 IEEE N#Cc1ccc(I)c(OCC(=O)NC2CCN(C3CC3)CC2)c1 499993924 CWGNPTIEWFCNGG-UHFFFAOYSA-N 425.270 2.285 30 10 IEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CSc2nnnn2Cc2ccccc2)CC1 502844585 AZCJIDJJNOMKTA-QGZVFWFLSA-N 439.570 2.284 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)ccc1Cl 513451031 FENCHOGHIZUGAN-INIZCTEOSA-N 431.967 2.227 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(F)cc1 514523188 WUWIOSSYOUBQIW-UHFFFAOYSA-N 437.496 2.076 30 10 IEEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 515665001 YUFSOVRSXPQWPG-UHFFFAOYSA-N 428.517 2.107 30 10 IEEE COc1cccc(N2C[C@H](NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)CC2=O)c1 523220708 ALXNUZVCYFNKJD-HXUWFJFHSA-N 435.528 2.446 30 10 IEEE C=CCn1c(Cc2noc(/C=C\c3cnc4ccccc4n3)n2)nnc1N1CCOCC1 546348429 XAJJCZYLYGAUIE-FPLPWBNLSA-N 430.472 2.388 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(c4ccc5cc(C#N)ccc5n4)CC3)C2=O)n(C)n1 547444110 IKEJKENMMNXELJ-OAQYLSRUSA-N 429.528 2.466 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 558985363 UWUSOOQNJNFRMD-LBPRGKRZSA-N 432.472 2.145 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)cc1 589317220 WAZHQKQOHBVTCB-LJQANCHMSA-N 430.530 2.281 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 603798356 BDGYUIBUPBTINZ-INIZCTEOSA-N 441.509 2.115 30 10 IEEE CC(C)(C)CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 611429026 AHEQEHBDDYILFH-SFHVURJKSA-N 431.606 2.037 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2cccnc2)cn1 730144478 NBYUQOKDOKNPOJ-YJBOKZPZSA-N 443.577 2.059 30 10 IEEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717300 JGGCBZZOBSUQHQ-INIZCTEOSA-N 444.492 2.102 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc1csc(-c2nc[nH]n2)n1 732341416 BLYGUQFVHOOTRF-CYBMUJFWSA-N 440.485 2.358 30 10 IEEE C#CCN(C(=S)NCCN1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 733087479 RVHNRUXTPBOWJN-QGZVFWFLSA-N 438.391 2.415 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 734292296 JHHNTCYDNBBYPI-LJQANCHMSA-N 425.510 2.153 30 10 IEEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734292804 WHPIWISTGSARKJ-SFHVURJKSA-N 445.566 2.152 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccc(Cl)nc3)c2=O)cn1 735068088 DDAIATJEXDJEJI-UHFFFAOYSA-N 441.944 2.282 30 10 IEEE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 744792564 GASLWAOMVARTLU-BKVYSMKUSA-N 441.594 2.443 30 10 IEEE COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1C#N 746873366 WKROYDGKCGWSDE-IYBDPMFKSA-N 443.525 2.295 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCN(C3CC3)C(=O)C2)c1=S 748264169 OGPRTTJOXNTJOO-GOSISDBHSA-N 427.530 2.377 30 10 IEEE COC(=O)c1nscc1S(=O)(=O)Oc1c(Br)cc(C#N)cc1OC 751508378 YXQIUKDTTQNADE-UHFFFAOYSA-N 433.261 2.340 30 10 IEEE C[C@@]1(C(=O)NCC#CC(=O)O)COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757470113 AOWDMSAMASMCJQ-SQJMNOBHSA-N 448.475 2.134 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(F)c(C)c2)c1=O 758050663 RRUSNLVXBVFEKY-UHFFFAOYSA-N 432.476 2.385 30 10 IEEE C#CCN(C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 774338755 AWZNDZFELRNPQD-XYPHTWIQSA-N 443.363 2.357 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](C)[C@H]1CCCN(C(=O)OC)C1 775814246 XCYXIQGFNUAYCL-WMZOPIPTSA-N 433.553 2.408 30 10 IEEE COc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cnc2c1cnn2C 783911663 MHSGDORYFLKLCO-JJIBRWJFSA-N 442.501 2.042 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCc2ccc(OCc3ccccn3)cc2)cc1C#N 787173691 DOXUVVRHGQFSCL-UHFFFAOYSA-N 430.464 2.473 30 10 IEEE C[C@@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)NC1(C#N)CCC1 787585709 QTLAEEOFGQZIMD-SECBINFHSA-N 428.392 2.264 30 10 IEEE Cc1cc(F)ccc1N1CCC[C@H](OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 795325367 QZYADSKTKKIJRV-IBGZPJMESA-N 445.472 2.023 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)n(Cc2ccc(F)cc2)c1C 798743849 LXIFJIPEDUSEAW-HNNXBMFYSA-N 449.446 2.370 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 802544327 XJLHMHBUJOBJAN-UHFFFAOYSA-N 437.479 2.236 30 10 IEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCc1cccnc1C#N 813168502 QZCQEZRRHWECQN-FQEVSTJZSA-N 445.497 2.161 30 10 IEEE C#CCNS(=O)(=O)c1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856568368 XQDWBPDSHGXTMY-KRWDZBQOSA-N 428.514 2.154 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 914679032 QOSCTOAWCSWGEP-VQIMIIECSA-N 440.477 2.213 30 10 IEEE C=CCCn1cc(C(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)nn1 1128389513 PBIVWZDOEMCAJT-UHFFFAOYSA-N 426.340 2.457 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)nn1 1149469020 NCEZGGZGTAYTOF-UHFFFAOYSA-N 425.493 2.001 30 10 IEEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)nn1 1151411697 HLEQURITCXUVRW-JOCHJYFZSA-N 439.520 2.285 30 10 IEEE COC(=O)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccc(C)c1 1152751947 FSZRZEWRUGYJBZ-SFHVURJKSA-N 429.498 2.140 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(S(=O)(=O)CCC)CC3)n[nH]2)c1C 1156164050 LCHAFTBMBHDAPX-UHFFFAOYSA-N 434.566 2.010 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1165490125 UKMGPGBAGMIHSW-FPOVZHCZSA-N 427.526 2.151 30 10 IEEE Cc1c(NC(=O)CSCC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c(=O)n(-c2ccccc2)n1C 1171050221 CMAYESNZXVCUER-SJLPKXTDSA-N 441.557 2.307 30 10 IEEE COc1cccc(/C=C(\C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n2nnnc2C)c1 1171843714 XNASTINFBZRTLE-LPYMAVHISA-N 447.474 2.348 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1175917940 SLMTYGDNTOPHQZ-KRWDZBQOSA-N 432.498 2.316 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1192948122 VPYNDTQCJPWRDG-VQTJNVASSA-N 438.494 2.333 30 10 IEEE N#CCCC[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 1229130755 DPCPSFRNCAYOQM-UXHICEINSA-N 434.562 2.258 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1286381293 FXQIRCFMNQEWFE-FQEVSTJZSA-N 441.557 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)cc1C 1286420156 MVSFZAIWKKJUIB-IBGZPJMESA-N 427.574 2.211 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286482752 YBIQOVWRHJWVFP-DEOSSOPVSA-N 434.519 2.066 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2[C@@H]2C[C@H]2CF)CC1 1286492093 GWFLIRHSGYQZIH-FUHWJXTLSA-N 429.471 2.493 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1286646941 YEYMGFWHJUJKHR-ADXZGYQBSA-N 448.614 2.263 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286670764 NKBCUXNYJFMFCD-UHFFFAOYSA-N 435.598 2.047 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286706852 VFHCLYYKWINGSW-ROUUACIJSA-N 427.553 2.437 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H](O)C1 1286718512 MAPMSKHUYLCFJN-FUHWJXTLSA-N 433.578 2.369 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1286962463 ZWDFKFOXDPNMSY-GPMSIDNRSA-N 446.577 2.216 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOC1CCCC1 1288842269 YAHINVQOVYDIKU-OXJNMPFZSA-N 438.598 2.368 30 10 IEEE Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1B1OC(C)(C)C(C)(C)O1 1290392838 JYNWCZFTZPEZSG-GOSISDBHSA-N 430.379 2.336 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc(C)s1 1300284303 RBJQCMCYFALDOQ-ZDUSSCGKSA-N 430.559 2.209 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1300303827 KSFSLRRJOYIEQK-JBACZVJFSA-N 436.560 2.069 30 10 IEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1300357307 MLBSRHQOICBHNU-UHFFFAOYSA-N 447.543 2.195 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300499570 VEFOSCZVFJSTEO-AVRDEDQJSA-N 448.564 2.186 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300754087 HYCKDSKWCJQLLU-UHFFFAOYSA-N 429.594 2.234 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1301294025 KNVYOLIFDWBVMO-OAHLLOKOSA-N 425.580 2.490 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(C(=O)N(C)C)CCCC2)C1 1301552904 AMNAEBAXADOXGK-QGZVFWFLSA-N 425.537 2.165 30 10 IEEE C[S@](=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCC1 1302510047 AZZBPQMPILXRNE-BFCWOKAWSA-N 435.594 2.227 30 10 IEEE CC(C)Cc1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302981852 OCEFGVVCKOCFBL-VXPUYCOJSA-N 428.537 2.152 30 10 IEEE C[C@@H]1N(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1305245382 SWGLQRDCDLCYSI-BVFCJKAASA-N 444.536 2.050 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1 1306245420 HQMKXKBBWOEROF-IBGZPJMESA-N 430.516 2.429 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1306534674 GYBLEDGAPGFMTM-VXKWHMMOSA-N 439.495 2.185 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1 1313995776 DZVKZZLQQMUOJA-UHFFFAOYSA-N 430.516 2.306 30 10 IEEE C=CC[C@H](NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21)C(=O)OCC 1324193330 RLMOLNNSULOBJE-RFWNCFTCSA-N 448.519 2.090 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CC2=O)cc1 1353332064 GAPTYGLBKQQYTP-NFBKMPQASA-N 445.523 2.234 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1358926730 ZPORJWLEDAUYRO-GOSISDBHSA-N 426.521 2.483 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)CCOC 1359016171 SDUODUIFELRGGE-JOCHJYFZSA-N 426.496 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2scnc2C)CC1 1359043505 WKDIGHJAIAQAFK-UHFFFAOYSA-N 435.557 2.314 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)NC(C)C)CC1 1359162214 ITZYYSDYBISFGA-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1359189274 FLFWMMIEYCCSKX-OWCLPIDISA-N 429.562 2.008 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359296829 VURSPMYYUNPLLG-RDJZCZTQSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCc2ccccc2)CC1 1359299164 XKERTGBGSVNRKZ-UHFFFAOYSA-N 445.571 2.315 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2=CCCOC2)C1 1359324148 DOGCIOZWYUPGQD-KRWDZBQOSA-N 429.546 2.398 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)CC1 1440534818 GYVMOLOLFUZFPB-UHFFFAOYSA-N 434.378 2.456 30 10 IEEE COc1cc(N)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Br 1448846510 ODKUZKIXOWCRJH-KRWDZBQOSA-N 443.301 2.442 30 10 IEEE C#C[C@H](NC(=O)c1cc(OC)c(S(N)(=O)=O)s1)c1ccc(Br)cc1 1450277502 VDWHAGBXBLRQTP-NSHDSACASA-N 429.317 2.271 30 10 IEEE CN(CC(=O)N1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1ccc(Br)cc1 1461181179 KRQDGMLXZFZDOT-UHFFFAOYSA-N 434.315 2.484 30 10 IEEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1462494147 QKCNGNZRRHGZRB-IAGOWNOFSA-N 425.526 2.438 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 1466077282 RTHUAHDVINMPFX-MRXNPFEDSA-N 438.502 2.122 30 10 IEEE COc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)nc1I 1469871674 FTKCRFNGVJWSJN-CQSZACIVSA-N 437.237 2.372 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 1469877975 ZVUXCBVDVCIKEB-UHFFFAOYSA-N 446.548 2.413 30 10 IEEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c(OC)c1OC 1504241257 GQDZELKLLFJKSG-ZBFHGGJFSA-N 442.520 2.236 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1507820853 OHVMSNAYCRKMJD-SFHVURJKSA-N 437.610 2.375 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(Cl)cc1 1510074762 AOGVTYAKMSTMMU-CRAIPNDOSA-N 444.923 2.250 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)c1C 1510399670 JKEAUFPDQJGUQA-GBESFXJTSA-N 427.505 2.179 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513185225 AEUJNEAWDBNQSE-OAHLLOKOSA-N 425.537 2.316 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)Cc2ccccc2)C1 1521069689 RJHQLWRRSFATEY-YLJYHZDGSA-N 433.509 2.187 30 10 IEEE C#CC[C@@]1(C(=O)Nc2cccn(CC(=O)OCC)c2=O)CCCN1C(=O)OC(C)(C)C 1535665023 JTKODCVGRLKNIZ-QFIPXVFZSA-N 431.489 2.143 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1537838689 DVRSSIRNZPGYCR-QHCPKHFHSA-N 428.533 2.266 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539216656 VEPXHDCLTURREF-GOSISDBHSA-N 431.562 2.090 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1 1539395421 QAOURVNQNZMYMG-UHFFFAOYSA-N 428.514 2.429 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1 1539595993 HULSIDPTEBSEEW-OAHLLOKOSA-N 426.359 2.433 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539946919 GMMSEHCJHOBHLS-LJQANCHMSA-N 427.553 2.281 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1540088385 JNWZQHLGXTVALN-ZDUSSCGKSA-N 428.484 2.354 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 1540472642 VIBCZXPMGGYOBC-NELJVSICSA-N 436.487 2.416 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccccc2F)C1 1540893009 VFPSVZPBFNKREH-IAGOWNOFSA-N 429.496 2.132 30 10 IEEE C=CCOc1ccc(C=c2sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OC 1554111072 YVFYIJGCFIBBMC-UHFFFAOYSA-N 433.489 2.223 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1554422499 LGJFLNTYPUXVGE-IAGOWNOFSA-N 430.459 2.203 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1555560654 QWKIVJDHCBKYDP-REWPJTCUSA-N 441.532 2.254 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C 1557112840 NURRXPVOIDVCLP-RLFYNMQTSA-N 435.546 2.194 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCc2nnc(N3CCCC3)cc2C1 1561765394 DSAFILWWJHTWEK-UHFFFAOYSA-N 448.346 2.458 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CC1 1562068743 BDRUZJMIWSMFRT-UHFFFAOYSA-N 432.546 2.320 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)n[nH]2)c1C 1567337063 XJFKJIADHWOPDT-JOCHJYFZSA-N 433.472 2.188 30 10 IEEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc12 1583811509 FYGABNVQTWQQSX-DYVFJYSZSA-N 425.514 2.125 30 10 IEEE C#CC[C@@]1(C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1585925311 RGPYYQIXSZIAPH-ZHRRBRCNSA-N 426.473 2.299 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1587804304 YCILZQZVHCUDDP-UHFFFAOYSA-N 436.545 2.430 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588035357 SJWMGFJXTMUAMT-PKOBYXMFSA-N 438.594 2.209 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588049520 HTWPEOYXPXSIOZ-IBGZPJMESA-N 444.605 2.006 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(C)CN(C)C1=O 1588581151 IJRZVHXBWDWCKV-FQEVSTJZSA-N 446.349 2.272 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCNC(=O)C2CCC2)CC1 1588891700 SCZSAYVFJAQCOU-QGZVFWFLSA-N 428.581 2.064 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1589641482 LPUZASSGFSLSRE-UHFFFAOYSA-N 438.536 2.392 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@H]2C1 1593825663 DEOBJLMFJLJKPT-LLVKDONJSA-N 427.690 2.429 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCCC1 1593884119 CCDJCISFXWDMQT-INIZCTEOSA-N 431.990 2.380 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1594644987 IWQBOTQKROEMCK-LJQANCHMSA-N 443.596 2.339 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1595723188 SQNJBMAVVFIFFJ-FDFHNCONSA-N 446.640 2.227 30 10 IEEE CC(C)(C)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597168798 MWDLMJMBSUGWRP-NHKNDPDJSA-N 442.564 2.355 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)n1 1611072932 QBUCYUOSTVMORI-IBGZPJMESA-N 432.575 2.435 30 10 IEEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1618291157 MGKCDIDBSBVPSW-UHFFFAOYSA-N 430.472 2.059 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1619723014 HPMORPPDJOYYKK-SFHVURJKSA-N 440.548 2.364 30 10 IEEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1620078938 KFMOBHJNBGWREV-NHCUHLMSSA-N 441.532 2.285 30 10 IEEE CCCOc1ccc(Oc2ncccc2CNC(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1630368310 CFWOUELSITXCMM-UHFFFAOYSA-N 435.440 2.113 30 10 IEEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1630680719 OBOWSDQNBDPYML-TWGQIWQCSA-N 425.420 2.060 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN=S2(=O)CCCC2)C1 1631557013 WHTWMXWXLTYYDY-UHFFFAOYSA-N 425.352 2.135 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)s1 1631674649 OCARMBLXGUQWBF-KBPBESRZSA-N 443.591 2.269 30 10 IEEE C=CCN(C(=O)Cc1nc(C2CCOCC2)n[nH]1)[C@H](Cc1ccccc1)C(=O)OCC 1632981241 SQCRYUINZOWIIG-LJQANCHMSA-N 426.517 2.430 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 1633813448 MALVICRSPPTUJK-UHFFFAOYSA-N 437.562 2.107 30 10 IEEE N#Cc1ccc2nc(NC(=O)CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 1641796429 BKZCFUAOGUWCAA-UHFFFAOYSA-N 440.304 2.176 30 10 IEEE CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@@](C)(C#N)C2)c1 1655732748 FSGHLRQAMVUNLJ-NRFANRHFSA-N 428.514 2.065 30 10 IEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1663103786 DXAPECQIEOIJPX-BEFAXECRSA-N 447.536 2.406 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c(C#N)cn1CC 1671036720 HVNQVUCDCSDRFT-UHFFFAOYSA-N 437.500 2.475 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([C@@H](C)CC)cc2)CC1)[C@@H]1CCCO1 1671890183 YKMNRRVRPAUGAY-YYWHXJBOSA-N 433.574 2.397 30 10 IEEE C#Cc1ccc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c(Cl)c1 1673382248 XUHVQUVQKKSWGO-UHFFFAOYSA-N 438.859 2.304 30 10 IEEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 1676949461 BBQZBBFHQHKFSF-INIZCTEOSA-N 441.557 2.496 30 10 IEEE N#C[C@@]12CN(C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1681031272 DJAUMNKKHMNCLH-HQRMLTQVSA-N 437.949 2.387 30 10 IEEE C=C1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)CC1 1683956991 FPVOQZNHCSNLFL-SJORKVTESA-N 427.567 2.161 30 10 IEEE COC[C@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCCOC1 1685237833 XQEIRLQFGCDNNW-QRWLVFNGSA-N 444.511 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnn(CCOC)c1 1689847134 SWDXSBGAKHGFTE-GOSISDBHSA-N 430.516 2.480 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689986498 REUWYPDUCIODSL-BZSNNMDCSA-N 446.548 2.384 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H](C)N1CCN(CC)CC1 1690192688 CGZUANHQAJTQCM-TXTKFYIRSA-N 432.613 2.020 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1690609758 YZFFXKVRXBNVFB-QZTJIDSGSA-N 434.562 2.435 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2cnnn2C)CCOC1 1692575915 KWGVMNSCNOAJHT-QFIPXVFZSA-N 436.520 2.004 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1692657146 DOSQKZYMHHNIJU-OAHLLOKOSA-N 425.518 2.066 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1692734093 AAEZBDSJCMCOIJ-UEXGIBASSA-N 442.539 2.491 30 10 IEEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1)OC 1697761572 SBDLQVDEHLOCRA-QGZVFWFLSA-N 438.488 2.175 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705474680 FDGGIIDDRPXDAJ-LEWJYISDSA-N 449.603 2.183 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCOC)cc1 1705495963 XYRQYBSSPLWDHJ-PKOBYXMFSA-N 446.573 2.102 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)C2CC2)c1 1705506983 NWUIVDJDMSDNKQ-KOSHJBKYSA-N 437.544 2.389 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2nc(C)cs2)n1 1705632272 YXCJYIWINZCJAX-GOSISDBHSA-N 441.561 2.426 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705661624 GQCZDKAUUBMJNQ-UHFFFAOYSA-N 427.640 2.093 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1705875944 LDLSCCANLDEJKH-LJQANCHMSA-N 443.573 2.157 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NC 1705885029 FHDCUDVBZCSGQX-GOSISDBHSA-N 429.521 2.202 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705902691 LLGARNUUSXLUOZ-AWEZNQCLSA-N 439.969 2.160 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705905603 AULQXOKZLKCBEW-KRWDZBQOSA-N 432.569 2.369 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1705912128 ABVLUDNYQZFONW-QGZVFWFLSA-N 446.502 2.229 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1705928176 MZTWGXZDWAPBLK-QHAWAJNXSA-N 432.613 2.185 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1706081972 IMPISQWMRIMHFQ-ROUUACIJSA-N 442.589 2.336 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2c2cnn(C)c2)CCOC1 1710418499 XZGFZSFSGOKCJC-SVMVAKDDSA-N 442.568 2.071 30 10 IEEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)ccc1OCCO 1711668076 QBLCMHCDWYFAMM-AEFFLSMTSA-N 429.521 2.196 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@](C)(O)c2ccco2)CC1 1722445684 WBNIYYBMOFONBC-XMMPIXPASA-N 433.512 2.412 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCC[C@@H](C)C2)CC1 1722446029 KEHPTLHAAFCPMP-LJQANCHMSA-N 435.576 2.038 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 1722462058 IECSTMSOIZMHEP-UHFFFAOYSA-N 432.619 2.482 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1722536149 KMUUGLNUZOXNNE-IBGZPJMESA-N 431.512 2.110 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722581361 UJALOTBJDDFGAR-MRXNPFEDSA-N 429.525 2.386 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1722607582 DVUMSXOWVGPFJK-UHFFFAOYSA-N 442.539 2.413 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1722631805 XMPIWDZLZGDWOB-AWEZNQCLSA-N 430.534 2.116 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722695515 GFCJTQYFPLYHGZ-SBUREZEXSA-N 425.533 2.194 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1722705338 BOTVOAXFEAEOAO-OAQYLSRUSA-N 448.527 2.295 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1722865027 COWZVYSXVDXQPJ-GOSISDBHSA-N 448.575 2.279 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1723867318 KIOMDPGMBOBFAB-GOSISDBHSA-N 444.605 2.420 30 10 IEEE Cc1ccc(OCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1724443477 YEDRUVOFAOXOGP-QGZVFWFLSA-N 446.577 2.406 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1726828553 DCPKBXRAFRLSFO-RCDICMHDSA-N 436.520 2.011 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1728850085 WGBZNRBPVSZZOA-QVKFZJNVSA-N 428.468 2.073 30 10 IEEE CN(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729340688 HVVJRJJYSFTJGV-UHFFFAOYSA-N 440.596 2.038 30 10 IEEE COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCCC1 1730505583 PSTQFTBEGPSWCJ-MRXNPFEDSA-N 438.598 2.225 30 10 IEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1730663441 FDCVXQJTJQXOOB-LJQANCHMSA-N 441.532 2.133 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1730763630 XPMKSNZVUGRPIE-HXUWFJFHSA-N 446.596 2.184 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1740558836 VNUGPRUUUPMJAS-UNMCSNQZSA-N 434.588 2.423 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740621684 YUHHAHRZBXVRCX-YESZJQIVSA-N 444.557 2.245 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnc(C)s1 1740684622 XAHJTJFNVDVGMS-UHFFFAOYSA-N 435.513 2.493 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCCCCC1 1740687622 DJFZWTMIRRQTGQ-UHFFFAOYSA-N 441.580 2.018 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)COC)CC1 1740693044 TVGJODFPSAFIIJ-UHFFFAOYSA-N 425.533 2.144 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1740713434 LJRSDDUPVBAJEJ-HNNXBMFYSA-N 430.530 2.328 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740739771 ZUTGXTKGUDNQGM-HDMKZQKVSA-N 445.358 2.295 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OCC)CCOC1 1740785810 DHROWJSOHOEYNW-QHCPKHFHSA-N 441.532 2.174 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740868548 NCKQADORVOQTCK-QGZVFWFLSA-N 435.598 2.276 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740956150 IDEUHMUPWYVMMK-GOSISDBHSA-N 437.504 2.079 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1746047153 ALCFHLDHICAHTG-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE CCNC(=O)C1(Cn2c([C@@H](C)OCCOC)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1746491361 PHUDVWYZEXMQRR-UTKZUKDTSA-N 432.569 2.439 30 10 IEEE CCOc1ncccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](F)(C#N)C1 1746892992 HQHNBLIUUCGUKA-NRFANRHFSA-N 429.500 2.480 30 10 IEEE CC[S@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1747452133 TUKCSJCQKGUZNR-QMTYFTJSSA-N 443.346 2.257 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CCCOC 1748790081 FNWMXOSMCMPMNI-UHFFFAOYSA-N 448.612 2.430 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1748817663 NTVGMSPLYBWSDK-ZWKOTPCHSA-N 448.976 2.419 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC(C)(C)N1CCOCC1 1748964301 IOEMBXWURSHSFN-UHFFFAOYSA-N 425.577 2.374 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1749038038 NEEVRONZCZQLSU-APWZRJJASA-N 430.530 2.009 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1749934053 XAAPXXVHXAQAJC-RTWAWAEBSA-N 438.532 2.117 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1749980887 YYXSHOXJBKSVMH-ICSRJNTNSA-N 449.559 2.084 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1750561330 RLUCICSRZAOCMP-UHFFFAOYSA-N 449.559 2.086 30 10 IEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1751962867 CCJZSAOSMRFOFJ-OAHLLOKOSA-N 435.488 2.049 30 10 IEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760181139 QBKAXWJIKWVRBK-XUVXKRRUSA-N 448.564 2.431 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC=CCC2)CC1 1760264665 BHKDSTUIKMKBIE-GOSISDBHSA-N 447.543 2.248 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@H]2CCCCO2)CC1 1760270019 RWBLECIVUBYHNW-NHCUHLMSSA-N 443.592 2.487 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@H]1C 1760282043 VBFAMPBDWGESPA-QGZVFWFLSA-N 427.578 2.044 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760351652 JEMYNZWMJNKQKZ-SFHVURJKSA-N 440.548 2.407 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760411642 PFVIOXHWDYSMNK-QYZOEREBSA-N 430.597 2.379 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760519798 PWZGALGEQWHVIF-DLBZAZTESA-N 441.532 2.127 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761031721 HGZZHXLKIXUZRW-XANXLALBSA-N 428.537 2.008 30 10 IEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCN(C)CCOC 1764888862 AQBLGDMXLXUDEP-UHFFFAOYSA-N 425.581 2.397 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1767492672 YOJLLESZSXIDIN-QRWLVFNGSA-N 437.470 2.082 30 10 IEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1767644373 AOJKHMPDWKNGLG-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1 1767733386 FWLWSCSVXCNAMS-UHFFFAOYSA-N 432.532 2.260 30 10 IEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1F 1768611242 GRKZELZRYRAMRK-KRWDZBQOSA-N 447.536 2.311 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1770178229 RYTPQGDBXZVZOP-ICSRJNTNSA-N 436.520 2.179 30 10 IEEE COCCOc1ncccc1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1771238651 LCBGQTQCEWWWQI-UTKZUKDTSA-N 430.484 2.430 30 10 IEEE CO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1771331340 JLAROLKAVVNCDH-AOMYARPXSA-N 442.907 2.350 30 10 IEEE C[C@H](C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1)N1Cc2ccccc2C1=O 1852104881 RGLGQVPUXPLRTI-GCJKJVERSA-N 449.507 2.226 30 10 IEEE C=CCC1(S(=O)(=O)N(Cc2ccc(F)nc2)[C@H]2CCCN(c3ncc[nH]c3=O)C2)CC1 1853515812 KOSFXVSDBGBVLC-KRWDZBQOSA-N 447.536 2.214 30 10 IEEE CC(C)c1ccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854421206 JNJJUVPCXWHKNK-UHFFFAOYSA-N 433.530 2.026 30 10 IEEE N#Cc1ccccc1NC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 1858411391 FASNFGAFHBESAE-KRWDZBQOSA-N 438.509 2.334 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(C)c2C)cc1 1859011220 VBZCJBFFOIBNHS-UHFFFAOYSA-N 444.509 2.089 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccn1C 1874431149 LBKUVLMRFDNSTE-LSHDLFTRSA-N 429.481 2.005 30 10 IEEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cccc(OC)c1OCC 1874470718 OFTZVWNRHJGFDH-LPYMAVHISA-N 435.550 2.375 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)CC1 1890081678 DQMFEDYMQAPGCQ-UHFFFAOYSA-N 441.601 2.021 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 1963882483 TZQXWJLIVRRDIF-ZDUSSCGKSA-N 448.305 2.463 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060625668 MYHAZXSECAELEI-IRXDYDNUSA-N 432.326 2.464 30 10 IEEE NCC#Cc1ccccc1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145991284 IGAOPIKFCFXIBN-UHFFFAOYSA-N 425.510 2.205 30 10 IEEE C=CCN(CC=C)C(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195276537 IUNTUYQCXOLZSZ-PBYQXAPXSA-N 436.530 2.094 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224125155 OGISKKFASDXFOK-KRWDZBQOSA-N 432.374 2.344 30 10 IEEE C[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247835850 RNJLBDMPJBYBLN-JSGCOSHPSA-N 437.371 2.428 30 10 IEEE CC1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247907880 JWQKUWIOIASQCM-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248403187 BYIMUSUXMTWLFL-IMRBUKKESA-N 435.355 2.494 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248419756 HDPDBLKISYFCLM-AWEZNQCLSA-N 440.371 2.203 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256013162 CDLGKENKYSLUKT-GASCZTMLSA-N 432.326 2.477 30 10 IEEE C[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)C(F)(F)F 2256892845 UEBQCXFUGYEQAQ-FZMZJTMJSA-N 431.239 2.413 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)co2)OC1(C)C 2258234738 DJELGWOKUJABLV-CYBMUJFWSA-N 430.232 2.252 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267005673 IBTMBZWEKKFADK-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267093856 YLHOJQMIAULICU-SQWLQELKSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267140951 GUAIKPDVCNWNIP-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NCC3CCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2267171939 QQXQOHIPTRXUEJ-UHFFFAOYSA-N 436.365 2.418 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2267189014 UNUSSCNIUYFPTE-LSDHHAIUSA-N 448.373 2.141 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2267529185 JRFZRDNUPNOUJL-CABCVRRESA-N 448.373 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267530995 JLTOVEJQZQLWCX-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE Cc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268632169 HBRLAFTUYXQTRY-MRXNPFEDSA-N 447.341 2.001 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@H](O)[C@@H](N)C#Cc2cccc(Br)c2)C1 2278729364 CBUKRIDCYPLBDC-YESZJQIVSA-N 425.323 2.125 30 10 IEEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N=c3nc[nH]s3)c(Cl)c2)OC1(C)C 2282503344 YQPSEKSVEVPRTK-UHFFFAOYSA-N 436.151 2.367 30 10 IEEE COc1cccc(C=C2Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)c1OC 2296868441 DOUFKOMYJLCHRN-UHFFFAOYSA-N 440.496 2.136 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](CCO)COCc3ccccc3)c(O)c2)OC1(C)C 2343513990 LVMWCIZVRPFOFY-IBGZPJMESA-N 441.333 2.389 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCCC#CCO 2343621394 SIAPXTVOBJZBCO-INIZCTEOSA-N 425.323 2.387 30 10 IEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)cc1 20906456 XAKSXYSKFGVNON-WSDLNYQXSA-N 426.502 2.416 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 107785924 KWQXRVZTWZLTJU-HXUWFJFHSA-N 435.503 2.222 30 10 IEEE N#Cc1cnn(-c2ccccn2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 170498125 SGOHYKKJGVFICH-UHFFFAOYSA-N 445.395 2.062 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2ccnn2C)c1=O 446121689 IHOPRMYKYQJXBJ-UHFFFAOYSA-N 444.491 2.466 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 467828966 RMKSNBXCGIRGQG-UZLBHIALSA-N 427.526 2.070 30 10 IEEE Cc1c(C#N)c(NC(=O)CCN2CCN(Cc3nccn3C)CC2)n(Cc2ccco2)c1C 472237672 GLUQHXZITABPEH-UHFFFAOYSA-N 449.559 2.498 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N[C@@H](C#N)c1ccc(F)cc1 474912107 KHEUNPUQPPJZJO-FQEVSTJZSA-N 432.521 2.359 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1OC(F)(F)F 479917947 ZRSQDYVYSIZMFT-GFCCVEGCSA-N 427.404 2.440 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 482429770 APAREVARWXPBBS-SIFCLUCFSA-N 431.489 2.353 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 499489020 YLYNAZBTNPJRSG-UHFFFAOYSA-N 449.479 2.027 30 10 IEEE CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541140741 KLCTXWZJQAIEFV-CQSZACIVSA-N 441.966 2.397 30 10 IEEE COc1ccc(-c2noc(CN3CCN(S(=O)(=O)CC4(C#N)CCCC4)CC3)n2)cc1 545386528 WMLXBPOHKZSDEJ-UHFFFAOYSA-N 445.545 2.277 30 10 IEEE C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(C#N)n2)CC1 546916673 KVVGMZNVMGUNBA-NXTQRVMMSA-N 436.560 2.258 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)c1ccccc1C#N 554731268 MNNJEITXBAJAHF-UHFFFAOYSA-N 442.541 2.170 30 10 IEEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)ccc1C#N 578837631 CIPKRETYMXGADF-UHFFFAOYSA-N 442.541 2.400 30 10 IEEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 592986037 PKFRKXBDZSYLBM-UHFFFAOYSA-N 432.929 2.473 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c(OC)c1 596183896 MDOFEYRTIYSESW-UHFFFAOYSA-N 429.561 2.205 30 10 IEEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C#N)no1 730140123 UUIHHRWCZSSKLA-SFHVURJKSA-N 440.529 2.054 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccn1CC(C)C 741710466 IJEWXNKNEUUUKG-QGZVFWFLSA-N 431.562 2.453 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 753910161 GOOBZQCTZYWTBC-UHFFFAOYSA-N 437.568 2.304 30 10 IEEE COc1ccc(S(=O)(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(NS(=O)(=O)C(F)F)c1 753954174 PYOOWQLIJTZBRS-ZBEGNZNMSA-N 437.490 2.410 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)OCC)s2)c1 757006367 FLUZTIILJSPIOO-ZDUSSCGKSA-N 435.527 2.031 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)C1CCCC1 757178304 WDLDBKZCHHONOS-UHFFFAOYSA-N 443.363 2.392 30 10 IEEE COC[C@@](C)(CCO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 758227781 NGNLYBKACHNPTL-SXKRPYPPSA-N 440.566 2.189 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNc1ncnc2cccc(I)c12 762801140 GZOWTZTUEQGHND-PEZBUJJGSA-N 435.225 2.173 30 10 IEEE C[C@H](CC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 772869563 DKAZPZVXAKTKEZ-LDBYXDLTSA-N 427.526 2.398 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)cc1 777812476 BPUHIWOQKHVVGM-IBGZPJMESA-N 449.536 2.403 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(C)c2OC(F)F)c1=O 777945457 HARPNZBWJLRFKE-UHFFFAOYSA-N 428.460 2.325 30 10 IEEE Cc1onc(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1C#N 779510251 JHSSTECCFGCDKX-UHFFFAOYSA-N 426.477 2.488 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)C1 780895102 WKKMFNSOGKAUTG-IIBYNOLFSA-N 427.526 2.329 30 10 IEEE Cn1nnc(Cn2c(-c3ccc(NC(N)=O)cc3)csc2=Nc2ccccc2C#N)n1 782072702 UZQHPORSVVJFOC-UHFFFAOYSA-N 431.485 2.383 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccc(C)o1 794312565 LMOLRLILBWCCIN-SFHVURJKSA-N 433.530 2.206 30 10 IEEE C#C[C@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 794911179 VDJDYAFWEILCGU-KRWDZBQOSA-N 438.521 2.431 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800781451 IKFWRHUXFXOUSQ-KRWDZBQOSA-N 430.516 2.037 30 10 IEEE CS(=O)(=O)N1CC[C@H](CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)C1 801524551 JZUPWRURRNQSQT-QGZVFWFLSA-N 425.514 2.428 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc3c4cccnc4nn3c2C)n1 803231499 ROXISVYRMXUFPK-UHFFFAOYSA-N 445.527 2.332 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccs2)c1=O 838162489 GNYCNWMUAWWPQZ-UHFFFAOYSA-N 426.519 2.012 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Oc3cccc(NC(=O)CN4CCCC4=O)c3)cc2C1=O 917058340 MADIQMRLLQLPRN-UHFFFAOYSA-N 447.447 2.249 30 10 IEEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)n1 1083996577 HTBMTMBEKUUUKT-UHFFFAOYSA-N 448.582 2.328 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)cc1 1125087379 LPMHXCZVWNWTBN-UHFFFAOYSA-N 436.555 2.468 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(Br)cn3)C2=O)cc1 1132630424 FXOVQGVISWNUBE-INIZCTEOSA-N 442.273 2.237 30 10 IEEE O=C(CCOCC(F)(F)C(F)F)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1134997524 XBMUKKKMTVQKES-JOYOIKCWSA-N 429.354 2.262 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1135335655 GZPRVMQHMYZFLD-UHFFFAOYSA-N 435.329 2.336 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C3(NC(=O)OCc4ccccc4)CC3)C2=O)cc1 1139811156 FTQUCRCRLRUJSY-HXUWFJFHSA-N 432.480 2.234 30 10 IEEE O=C(Nc1nc(CN2CCN(c3ccccn3)CC2)cs1)c1cccc(C#CCO)c1 1143572750 WLKVTFIXGMPCAN-UHFFFAOYSA-N 433.537 2.456 30 10 IEEE C=CCCC[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OC 1155475777 SPIQSOQUHFBVSI-GAJHUEQPSA-N 425.485 2.142 30 10 IEEE CC[C@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCOC1 1197256424 QKMNPLYUWGUNMF-SJORKVTESA-N 427.505 2.250 30 10 IEEE N#CCOc1ccc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 1214342528 DXYUEUXSEWHRQA-IBGZPJMESA-N 444.513 2.368 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cccc4c3OC(F)(F)O4)C2=O)cc1 1280482388 NHPXOUFDUMPRQZ-HNNXBMFYSA-N 442.378 2.401 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1286350103 VCILKFNWKGCAQP-GOSISDBHSA-N 441.507 2.062 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286394949 QGWQHINYZYZINE-SJORKVTESA-N 438.619 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1286403061 HLJCGLRJQIJJCS-SFHVURJKSA-N 442.541 2.002 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(F)c(F)c2)CC1 1286472342 GXRYPZRPKXFMST-HSZRJFAPSA-N 445.514 2.206 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 1286481241 UETZLTKKKDABQO-KRWDZBQOSA-N 435.450 2.484 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCOC)cc1 1286515240 VQTRGDQKAGDLMS-HSZRJFAPSA-N 425.533 2.482 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1286600981 GOTYIBCGJYHPIR-UHFFFAOYSA-N 447.609 2.096 30 10 IEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1286679503 QHNMZRUAEXABPR-HXUWFJFHSA-N 447.543 2.390 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOCC)CC1 1286782492 WPDCGNQAVDNERG-UHFFFAOYSA-N 438.532 2.152 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCOCC2)C1 1286813358 ZLDZYDFQHIMZAK-HXUWFJFHSA-N 426.565 2.156 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286969985 TUVFMVWWNWEFAW-APWZRJJASA-N 431.562 2.361 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC(C)(C)O1 1291278886 DPNVRFNAMLJBIJ-KRWDZBQOSA-N 441.532 2.274 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 1292374076 IFZSQWIWLNGHAE-FQEVSTJZSA-N 442.560 2.148 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1294879852 GCUMYFZZQIYIAC-QGZVFWFLSA-N 438.532 2.117 30 10 IEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cn(CCCC#N)c3ccccc23)(C(N)=O)C1 1296385217 CVXVGDWUBVKHBX-UHFFFAOYSA-N 425.489 2.150 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1297777983 GIMYSWSGMWIXJD-HNNXBMFYSA-N 427.534 2.028 30 10 IEEE CN(C)c1cccnc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1298066407 HQPQKYKVTUQNJW-MBOZVWFJSA-N 439.564 2.435 30 10 IEEE C[C@H]1CN([C@@H](C)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)O1 1300039662 YGFSOSHBAAIRKJ-SOUVJXGZSA-N 435.366 2.371 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 1300411525 ZWUWKVKHAOSAMS-AAEUAGOBSA-N 445.335 2.180 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1300458698 KYBLUZFVAPCQCR-DOTOQJQBSA-N 440.529 2.103 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCCC1 1300569700 QOLDHANWYNXLQQ-UHFFFAOYSA-N 435.528 2.471 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(CC)C(C)C)CC1 1300703287 FJYNRJOCFXZTCX-UHFFFAOYSA-N 434.592 2.002 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300843188 DARIXJKGZJRFAW-WMLDXEAASA-N 445.383 2.443 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1301096094 WONBSGPIQXMBMY-UHFFFAOYSA-N 442.539 2.317 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1301261708 KVANSWOIMRXGEO-QGZVFWFLSA-N 441.580 2.487 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1301819362 UYYUHIUUAHWZIG-NHCUHLMSSA-N 438.532 2.117 30 10 IEEE CC(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1303120549 RYNPWIVGNHXUGX-HXUWFJFHSA-N 439.564 2.438 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)c1 1304291169 LOIMIRGKBLGCET-GOSISDBHSA-N 431.562 2.318 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1305238027 HXKPKKZTHVWTCK-RDJZCZTQSA-N 447.586 2.105 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCc3ccc(CC#N)cc3)CC2)cc1 1312921496 MXYOSTQDEJLYMI-UHFFFAOYSA-N 442.541 2.367 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1312983243 NTNCHUYXOCHFMH-UHFFFAOYSA-N 429.517 2.406 30 10 IEEE COc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1315581458 IJYHEUOHVUPRTH-DENIHFKCSA-N 427.505 2.104 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1316487448 QVCKKGWTIPKYPK-AHRHJZQMSA-N 435.463 2.137 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)CC1 1317896813 LMDVTUYBHAVQPF-UHFFFAOYSA-N 428.452 2.269 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1358904178 XZFQREQFICKLLK-KRWDZBQOSA-N 439.520 2.444 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1358958318 LKFGYWCFXKPDPL-FQEVSTJZSA-N 438.557 2.100 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN(C)CC(F)(F)F 1358996196 VXQQGOWJWIEWGL-UHFFFAOYSA-N 443.477 2.474 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1358999701 AHNJXTCUEXEYNU-ZDUSSCGKSA-N 440.367 2.159 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1359240149 HAQFDZLJBPOMOF-IBGZPJMESA-N 444.605 2.482 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1359266217 WRZUFWFVJDMTCY-NHCUHLMSSA-N 430.597 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359294059 IYTATCSNBDOSNV-WMZOPIPTSA-N 426.477 2.161 30 10 IEEE C=CCNC(=O)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCC(=O)N1 1359305603 HYOVKSRVAOOJME-ACWOFJMJSA-N 446.939 2.373 30 10 IEEE C#CCN(C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1360053898 CDKJRBNHPMMSSF-INIZCTEOSA-N 425.432 2.462 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1)C(=O)OC 1448493162 GXEKGWFLAKTBBN-QRVBRYPASA-N 429.542 2.219 30 10 IEEE C#C[C@H]1COCCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC 1468882880 UJRRNBMOFLLZAS-SFHVURJKSA-N 449.532 2.406 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)nn1 1475886695 LLXSDUKTADNLNH-HZPDHXFCSA-N 432.550 2.452 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1496841343 WAFIDSDUYABTBV-VFNWGFHPSA-N 428.516 2.098 30 10 IEEE CCc1nnc(N2C[C@H](C)O[C@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498835171 OQCUQFYTNVJEQH-ODKNCQNMSA-N 436.516 2.333 30 10 IEEE COC[C@H](F)Cn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504609812 SOKLIZGCJXVJAL-GOSISDBHSA-N 444.559 2.236 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1ccnc1C 1507531692 CASDOYXJNQXKER-MRXNPFEDSA-N 430.516 2.338 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1C[C@@H]1C 1507704097 OVRHFKVOBATUOL-DOTOQJQBSA-N 430.578 2.289 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(F)ccc2F)CC1 1507716125 MXVNHIZIDPFHKM-UHFFFAOYSA-N 430.503 2.278 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC)C2)CC1 1507735267 QDGBEKGQFAKICY-FQEVSTJZSA-N 445.571 2.124 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507781539 BLCWKJLUGVVPBI-KGLIPLIRSA-N 434.342 2.255 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C)C1 1507837047 HHUIHUSGDMUBQL-INIZCTEOSA-N 448.593 2.364 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507861828 SVIRLZCNCTVXHA-UZLBHIALSA-N 443.983 2.472 30 10 IEEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1507920822 ZEQZBVOWWGWVNG-IBGZPJMESA-N 443.548 2.419 30 10 IEEE CC(C)(C)[C@@]1(C)CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1508471483 VBGIHEJTDSYWKM-BZCZAOFBSA-N 428.537 2.323 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)[C@@H](C)C1=O 1509408944 DMRYBJOMNXIGIQ-KRWDZBQOSA-N 449.559 2.036 30 10 IEEE Cc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1511939149 DCBZATNCHFBBMN-AWEZNQCLSA-N 446.309 2.428 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)CCO1 1521136082 BKPPLOXREXBVAT-KRWDZBQOSA-N 440.504 2.380 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1533650844 XTQZOOKJIIETQP-MSOLQXFVSA-N 444.557 2.006 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(OCCS(C)(=O)=O)cc3)CC2)o1 1538825013 BNOGTDIMCUUUKP-UHFFFAOYSA-N 432.502 2.133 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1539085378 KVNHPYYOILLJKF-GOSISDBHSA-N 425.537 2.367 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc2[nH]c(C)cc2c1)[C@H]1CCS(=O)(=O)C1 1539231780 WKVILQJWXJFSAS-IBGZPJMESA-N 441.557 2.279 30 10 IEEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539413374 IFXCEPQJDOKZCP-FHWLQOOXSA-N 445.564 2.266 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(C)CC(F)(F)F)CC1 1539445776 FTRHPTNPQJMOKY-UHFFFAOYSA-N 435.498 2.288 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539636856 MFFOGTIWPLAEQE-DYXWJJEUSA-N 445.589 2.259 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540127918 YCEQOMANQXTBQS-QFIPXVFZSA-N 439.541 2.082 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)CN(C)C2=O)C1 1540886547 FRACFJAVSMVELD-HXOBKFHXSA-N 441.532 2.222 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOCC1(C)C 1541364113 YPEKMGSXDJZPDO-UHFFFAOYSA-N 438.580 2.106 30 10 IEEE C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N)N(C)C1CC1 1541801941 HKCBUCYCIZIIJQ-CVEARBPZSA-N 434.548 2.413 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OCC 1544338492 HEOSCNHAUGAKAS-OAHLLOKOSA-N 431.942 2.004 30 10 IEEE C=CC1(CC(=O)NCCNS(=O)(=O)c2ccc(C)s2)CN(C(=O)OC(C)(C)C)C1 1545998555 UZDBCWCHWVTPNS-UHFFFAOYSA-N 443.591 2.264 30 10 IEEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C 1547836441 DPCCEOPTZRNABI-WOJBJXKFSA-N 440.548 2.219 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC(=O)NCc1ccco1 1554150277 JHRBLGQZJFAGKJ-UHFFFAOYSA-N 428.456 2.153 30 10 IEEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1)OC 1555246853 NPEDQHSUMUFIHI-SUMWQHHRSA-N 441.305 2.149 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nnc(C)s2)CCO1 1555390438 XDZFBGNPJOVLLM-SFHVURJKSA-N 439.545 2.461 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCc3nnc4n3CCCC4)C2)C1 1556059236 QTFUOMCNZHCKJE-WCCYLALTSA-N 442.564 2.450 30 10 IEEE C=CCOc1cccnc1C(=O)N1CCC[C@@H](n2nncc2I)C1 1558103111 IEUHFCLLFXNXJY-GFCCVEGCSA-N 439.257 2.320 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)C1 1558328578 BFASGEBLYVBLMH-KRWDZBQOSA-N 427.526 2.323 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 1585058305 RTAKBWBKUGJAHS-LEWJYISDSA-N 431.558 2.423 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588059895 XECRTGMIVLRGRQ-QHAWAJNXSA-N 449.665 2.471 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588064237 DOGAIALEVHGVIW-NEWSRXKRSA-N 428.558 2.160 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCCC1=O 1588113969 XJBHJMPIZZSIQJ-UHFFFAOYSA-N 433.512 2.192 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](F)C1 1588124755 PYTHYZRTYULNAJ-SJORKVTESA-N 428.537 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC(F)(F)C1(OC)CCOCC1 1588620292 SGZKAECLBYVXOZ-UHFFFAOYSA-N 437.491 2.201 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCCCC1 1588659434 IWIQYWMURSPTIQ-UHFFFAOYSA-N 427.524 2.497 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1589096954 ISHYMAUSJMECIH-UHFFFAOYSA-N 429.512 2.492 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1589198286 RATQHLIEDGXJEE-XMMPIXPASA-N 447.543 2.186 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1593769519 OYVIUVMIJPJXNL-VQIMIIECSA-N 429.496 2.304 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1594532787 DZGMGBMIIOTBKW-CBGDNZLLSA-N 434.558 2.459 30 10 IEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1595851054 WXOVZABLBINNKT-UHFFFAOYSA-N 438.575 2.116 30 10 IEEE O=C(NCc1cccnc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc4ccccc34)S[C@@H]12 1614388852 MVPYMTXFTKPAPB-AMGKQAFBSA-N 448.548 2.354 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCN3CCCC3=O)C[C@H]1C)C2=O 1615243317 AWTBFKCVPLJOGH-VERVWZFWSA-N 448.903 2.376 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1619589380 CIIGIIOIEXXVLX-INIZCTEOSA-N 440.504 2.090 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(NC(C)=O)c1 1620100123 ZMXSGKCFVUMXRD-LQBOVUBWSA-N 442.495 2.451 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)COc2cccc(Br)c2C#N)C1 1626830879 ULKYLVNYWZQGLV-KGLIPLIRSA-N 438.322 2.089 30 10 IEEE C[C@]1(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCS(=O)(=O)N1 1627107893 HUCKQLRNGYTOLY-KHQFGBGNSA-N 444.344 2.088 30 10 IEEE C#C[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1627747095 PMRRVWIPMGZIFC-PXNSSMCTSA-N 432.586 2.389 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 1633898288 YHUVLRNTAKOMHQ-SFHVURJKSA-N 427.501 2.308 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1636700855 YGKCIIAAQZNCAH-QGZVFWFLSA-N 428.346 2.149 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1640917430 DYXAZQLWJDWVHN-AEFFLSMTSA-N 442.375 2.151 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CC)(N3CCOCC3)CC2)ccc1F 1648346664 RUWPYEPHLKILBM-UHFFFAOYSA-N 439.553 2.007 30 10 IEEE COC(=O)C1(C#N)CCN(CC(=O)Nc2ccc(I)cc2)CC1 1654467251 MQVGLKLHASZSSG-UHFFFAOYSA-N 427.242 2.008 30 10 IEEE CCCCn1c(N)c(N(CC)C(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)c(O)nc1=O 1654808556 BHMDVBMSAUYUET-HNNXBMFYSA-N 426.521 2.249 30 10 IEEE C#CCN(CC#CC)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1661818727 FUZBRIZJRLTRIP-UHFFFAOYSA-N 445.278 2.033 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)C2)nc1 1684223104 QGNMEHIMAUAZSB-IEBWSBKVSA-N 425.514 2.209 30 10 IEEE C#CCOc1ccc(CNC(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1686550539 WOGFGAREUZVFEV-UHFFFAOYSA-N 431.290 2.085 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1689912877 CKFTYSYDTKOUAU-YQQAZPJKSA-N 437.591 2.330 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2)CCOCC1 1690092437 IFWQJHPOBSPQEV-UHFFFAOYSA-N 439.560 2.251 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCOC1 1690094052 QYTIXCFLRYWAKM-KKSFZXQISA-N 434.924 2.309 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1690124584 OMEXIKLYHLCBFU-RXVVDRJESA-N 442.995 2.494 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690225696 IIXGIIQYANCLFX-UHFFFAOYSA-N 441.293 2.122 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1690243824 QANRVFDAPSTSDE-RBUKOAKNSA-N 425.537 2.173 30 10 IEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1690269589 AHVBELWHDMZMQT-UHFFFAOYSA-N 444.483 2.351 30 10 IEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC)C1CC1 1690535831 INDOAFCUWRIFPC-UHFFFAOYSA-N 430.940 2.495 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCSCC2)C1 1690710943 ZEVOXCIRWNYBIN-SFHVURJKSA-N 434.635 2.464 30 10 IEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690738383 KXFKLIBFTZRMOE-KRWDZBQOSA-N 431.562 2.214 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCOCC1 1705479837 MLDCJSYFLADOFE-INIZCTEOSA-N 433.516 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705594417 CGWDPWFRRBMXOE-UHFFFAOYSA-N 448.552 2.102 30 10 IEEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNS(=O)(=O)CC)CC1 1705766236 SIURKKSLHBLUKD-UHFFFAOYSA-N 447.561 2.202 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CCOC)CC2)cc1 1705911439 IAMDAQGRGSWFJS-HXUWFJFHSA-N 427.549 2.164 30 10 IEEE Cc1c(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)cnn1C 1707021416 BSQZXDKESRTIDW-CQSZACIVSA-N 427.534 2.177 30 10 IEEE COCCOCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712613497 QYQMFCVBIJSOIM-IBGZPJMESA-N 442.520 2.108 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(CC)s1 1722459753 QFJACUAUYHDWOF-CQSZACIVSA-N 439.632 2.202 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1snnc1C 1722475932 JJNUTWINBGGUTG-LJQANCHMSA-N 427.559 2.470 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1722503250 WIPDRMKKVJDTQI-CVEARBPZSA-N 430.553 2.077 30 10 IEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722530879 ZYSBBLHFZOEUME-HXUWFJFHSA-N 436.516 2.037 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2CCOC[C@H]2C1)c1ccccc1 1722539533 SFXIHJUAOKXYOB-PZJWPPBQSA-N 427.549 2.236 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722628535 XYDREFADFKLCKZ-MRXNPFEDSA-N 447.565 2.081 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1)C1CC1 1722650584 FVJOAUCPACIINM-CQSZACIVSA-N 439.488 2.380 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1722680167 ZTHPWUGNKIVQOJ-IBGZPJMESA-N 438.532 2.043 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1(C)C 1722680977 FBGZJFMSRGHFMD-HZPDHXFCSA-N 428.624 2.351 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1722687715 CCIQPQAMIMGNGA-UHFFFAOYSA-N 428.562 2.355 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1723879654 RJLQDICYLXNTAK-IIBYNOLFSA-N 443.483 2.264 30 10 IEEE C[C@@H](COCc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1723883985 HCBDZJHPVNNXNO-UYAOXDASSA-N 438.532 2.096 30 10 IEEE CC1(C)CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1724035810 UTBAPQIUPXXQIA-CZIZESTLSA-N 440.479 2.226 30 10 IEEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1730917588 ADUYZDKTNMZATM-JPYJTQIMSA-N 441.532 2.254 30 10 IEEE CS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(C#N)c1 1731007848 AONNDBNJBZHZFF-OAHLLOKOSA-N 433.444 2.382 30 10 IEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1740591641 SGSUIPZGLRRYBM-UHFFFAOYSA-N 437.516 2.079 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740623336 RMBFXQVZUOGEEB-SJORKVTESA-N 431.587 2.171 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1740700038 DBAPMYDZVHBHAP-XMMPIXPASA-N 439.560 2.436 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740795174 OZNUEJISCBCGOX-SJORKVTESA-N 432.525 2.459 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1740981099 NWUDTLKUOWWAFF-ZWKOTPCHSA-N 433.553 2.430 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)OC(C)(C)C)CCOC1 1741127175 YEPJMKXKHUKCCV-IIBYNOLFSA-N 436.557 2.439 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)C1 1747432953 HXYHJHFDTWGQOB-OAQYLSRUSA-N 446.577 2.151 30 10 IEEE COC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c1 1748354216 DGIBFVHXFPUNSH-UHFFFAOYSA-N 425.493 2.383 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(F)(F)F 1748404474 FHCLGGHMCROBSS-CZUORRHYSA-N 436.438 2.451 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2)CC1 1748731740 KLXLQCIBIAGRIV-SFHVURJKSA-N 430.578 2.018 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749211061 RLMCOWSZHBGPRU-UHFFFAOYSA-N 446.596 2.238 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc(C)s1 1749471482 OWHALNIPGGKHFJ-UHFFFAOYSA-N 447.590 2.220 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749651003 LRTFIOZBDSHGBV-UHFFFAOYSA-N 428.537 2.312 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCCS2)cc1 1750384537 DGCMCJUHXHPIEA-GOSISDBHSA-N 447.586 2.249 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760158705 QQSYAZWHGWRHHZ-APWZRJJASA-N 425.489 2.214 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760186922 HASLLQSMZCVREP-IRXDYDNUSA-N 448.614 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccnc1 1760196802 SHZDNLMJIVTBIA-UHFFFAOYSA-N 447.568 2.257 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)cc1OC 1760223432 FEAWNNCMYZWKAX-UHFFFAOYSA-N 435.528 2.123 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760281448 MYORLJIIIQHPHH-WOJBJXKFSA-N 444.605 2.257 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760421697 XSQBLXKZMZNKRS-UHFFFAOYSA-N 442.524 2.402 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1760523078 LSWMGGYOKVLMLJ-UHFFFAOYSA-N 436.476 2.058 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]2CCC[C@@H]21 1760526397 NAROUNRZDNMBKP-CVEARBPZSA-N 428.562 2.341 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1760677149 JLYPRDAMDZWCQV-UHFFFAOYSA-N 437.548 2.038 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1760743125 JXBMIOFROROEGS-KDDVOAFDSA-N 428.537 2.323 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)o1 1761760246 DCGVNUDEQMOVBA-FUHWJXTLSA-N 438.463 2.059 30 10 IEEE CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766574963 ITIHGYASXOGRDB-LJQANCHMSA-N 447.499 2.411 30 10 IEEE CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766714183 YXFBTZSKANTTEY-MOPGFXCFSA-N 430.578 2.474 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1767181656 YCMCZOKBIBHQLA-QYZOEREBSA-N 449.559 2.135 30 10 IEEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1768880980 PEGLBZOBCUPFEK-GOSISDBHSA-N 431.562 2.240 30 10 IEEE CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1769330584 BBMHJMRVIYYDJX-UHFFFAOYSA-N 440.552 2.066 30 10 IEEE CON(C)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1770238700 IXAGDRTXGYIUKC-BMRADRMJSA-N 447.293 2.232 30 10 IEEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3cccnc3C#N)C2)cc1 1849794776 SQGMHFPDRSYSNO-UHFFFAOYSA-N 428.514 2.277 30 10 IEEE CN1CCC[C@H]1C(=O)O[C@@H](COc1ccccc1C#N)CS(=O)(=O)c1ccccc1 1852503948 CFBKKHFCCCZQRA-ICSRJNTNSA-N 428.510 2.417 30 10 IEEE COc1ccc(-n2nnc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)c2C)cc1 1853017533 TYOABLMDGQXQNP-UHFFFAOYSA-N 445.423 2.459 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C2=O)CC1 1853680384 GDOKXNQYVBCVHZ-FUHWJXTLSA-N 432.908 2.269 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H](F)CC3CC4(CCC4)C3)C2)CC1 1857043267 NBVZTRWUIKHNKS-MSOLQXFVSA-N 439.553 2.235 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C(=O)C2)s1 1857508044 LCYXWPWRVXMQHH-CQSZACIVSA-N 442.928 2.497 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862609636 RHNXASQUNSVDFH-FKIZINRSSA-N 441.436 2.131 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCO)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596984 UZMMGJHBXBHMDY-UHFFFAOYSA-N 428.537 2.229 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871621802 QNIJYLVQCBUYGT-UHFFFAOYSA-N 440.552 2.472 30 10 IEEE Cc1sc(C2=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)nc1-c1ccccc1 1872796046 JPKDWFAITNFHIH-UHFFFAOYSA-N 440.550 2.478 30 10 IEEE CC(=O)Nc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1889528141 JLAXLRCFLMCQRS-UHFFFAOYSA-N 440.588 2.296 30 10 IEEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc1 1891483059 KMYVVGVVYKVIJJ-UHFFFAOYSA-N 432.488 2.282 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)C2CCN(C(=O)NCc3cccs3)CC2)C1 1891637610 ZAVJVQXELWHTAD-UHFFFAOYSA-N 439.541 2.474 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC3(CC2)C[C@H]3C#N)cc1 1891765321 UCZRVHHXFVDDRB-PXNSSMCTSA-N 444.557 2.340 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 1901464780 JAFPHCRWZLRWAR-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988628586 YVMQXFPGZFSALZ-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE C#CCNC(=O)CCNC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2068343809 RLCWTOFADOWHCG-XMMPIXPASA-N 443.544 2.086 30 10 IEEE COC(=O)[C@@H](CC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2068917229 OLWLDTLTZBUIKG-OAHLLOKOSA-N 438.330 2.233 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068920790 VNGOUYPHRQJUQH-UHFFFAOYSA-N 436.358 2.442 30 10 IEEE C[C@H]1OCCO[C@@H]1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172780139 MIMUISAPSBKVHR-IUODEOHRSA-N 427.148 2.383 30 10 IEEE N#C[C@H](c1cccs1)N1CCN([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)CC1 2195975584 HJSQYRZKNMSMLP-AABGKKOBSA-N 426.542 2.312 30 10 IEEE CN(C[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1)C(=O)OC(C)(C)C 2224093030 LASOGCIGHWTIFR-QGZVFWFLSA-N 433.358 2.453 30 10 IEEE CC1(C)OB(c2sccc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247903441 KTZMQZLYIFJATM-WDEREUQCSA-N 430.257 2.035 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917483 CQGQNPALSVKYOM-UHFFFAOYSA-N 441.359 2.361 30 10 IEEE CC(C)(C)OC(=O)NCCOCCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248587547 QXJNQXCRDKQJFO-UHFFFAOYSA-N 426.294 2.440 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255594798 FHCQURZZYXADFM-ZIAGYGMSSA-N 434.346 2.227 30 10 IEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632666 PQSHEPDOKQOSIA-KBPBESRZSA-N 434.346 2.084 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C 2255633977 KGLJEBDGCMINKE-CYBMUJFWSA-N 436.362 2.061 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255696148 PSIYJFKANXMQTN-ZBFHGGJFSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255702950 NEESEYPPKNYPKY-NRFANRHFSA-N 437.321 2.393 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255838180 BOQQJXOQJAWLAK-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2256922429 FNMNYLOAUXROFS-HNNXBMFYSA-N 446.334 2.151 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164557 TUDVNAOODMCRLB-MRXNPFEDSA-N 446.357 2.247 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCC2(NC(=O)OC(C)(C)C)CC2)n1 2267181056 MWIDCWBBFXPLDA-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267260677 PHWSXUWUDZRYJE-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267265693 JJCOONIREJYFMQ-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CO[C@](C)(CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267272141 WWXGIOOCWODTKB-HSZRJFAPSA-N 441.337 2.128 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267587247 VGKVSYWZRUTQKV-QILLFSRXSA-N 443.353 2.366 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267871140 MBNDMBQAVBGBJC-GASCZTMLSA-N 446.357 2.246 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2268647239 NRCIPGQXGLDFMO-LSDHHAIUSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCO1 2268663576 MFZJRUMVNCESJM-JOCHJYFZSA-N 447.341 2.393 30 10 IEEE Cn1cc(I)c([C@@H](O)[C@H](N)C#Cc2ccc(Br)cc2)n1 2296267122 PNCRGQNWZBCRRL-OCCSQVGLSA-N 446.086 2.200 30 10 IEEE C=CC=CSCC(=O)N=c1c(C#N)cc2c(=O)n3cccc(C)c3nc2n1CCOC 2296786459 LAHYBDPCBYITAK-UHFFFAOYSA-N 435.509 2.336 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](O)C#Cc1cccc(Br)c1 2313902373 XCCUSJCPYHFJHB-GJZGRUSLSA-N 432.336 2.099 30 10 IEEE COc1nc(N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786564 NEZUAJFEGQMNBN-OCCSQVGLSA-N 443.275 2.283 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2340772166 CEHLNKRJJWOTQI-XLOAEROZSA-N 446.357 2.228 30 10 IEEE COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 5360586 YAUKQBTUZFRWLF-UHFFFAOYSA-N 432.484 2.245 30 10 IEEE C#CCN(CC(=O)Nc1scc(CC(C)C)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 111192405 GFUHSOBJDNVKGG-INIZCTEOSA-N 440.587 2.184 30 10 IEEE COc1cc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)c([N+](=O)[O-])cc1OC 238937804 VSGKERIBWWONEQ-JOCQHMNTSA-N 427.417 2.394 30 10 IEEE N#Cc1ccc(CN2CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC2=O)cc1 301436258 MOOJFEJWYUXVAO-UHFFFAOYSA-N 438.431 2.073 30 10 IEEE C[C@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CCN1CCO 428530348 WRNMVYQFKWXTMP-KRWDZBQOSA-N 438.553 2.428 30 10 IEEE COc1ccc([C@H]2NC(=O)N([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)c(OC)c1 431631108 BFQBXMKZNISQIP-UYAOXDASSA-N 434.452 2.364 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C(=O)OC 435952395 ZEZOKWLRQJAVBN-DLBZAZTESA-N 431.316 2.227 30 10 IEEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 439916024 PJGMQZQUHRQHGO-HXUWFJFHSA-N 434.500 2.225 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)o1 471202409 GBNYMROKNAPTIZ-UHFFFAOYSA-N 425.485 2.221 30 10 IEEE COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1OC 471941340 LHDIXGFUNWPGBU-NRFANRHFSA-N 430.482 2.220 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CC1 473768176 WMXXTIOIUJAZER-UHFFFAOYSA-N 436.438 2.343 30 10 IEEE CN(Cc1ccccc1Br)C(=O)CCNS(=O)(=O)CC1(C#N)CCC1 477601807 MRMAXIGHOPSDEQ-UHFFFAOYSA-N 428.352 2.411 30 10 IEEE N#Cc1cccc(-c2csc(NC(=O)C(=O)NCc3cccc(N4CCOCC4)n3)n2)c1 477987542 JMOHLBOYBVYTTC-UHFFFAOYSA-N 448.508 2.168 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 479837771 GFJWHVRAXSTIIP-CQSZACIVSA-N 448.932 2.354 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 503427024 IWLINWLZHSZTHD-QFIPXVFZSA-N 431.489 2.124 30 10 IEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508996004 MUELCYMYSALCEJ-UHFFFAOYSA-N 442.564 2.139 30 10 IEEE COc1cccc(CS(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 522761667 IZIGGEBRTYEVID-UHFFFAOYSA-N 428.470 2.467 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3c(nc2O)CCCCC3)CC1 523151174 RZLUEFDCMYHKOW-UHFFFAOYSA-N 440.525 2.074 30 10 IEEE N#Cc1cccc(CN(CC(=O)O)S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 548575117 CUUMCJPYGWFVOF-UHFFFAOYSA-N 439.493 2.059 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccc3F)c2=O)cn1 588892626 PNKCENKAFYJDLC-UHFFFAOYSA-N 435.480 2.314 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCN1C1CC1 732663753 FFCAJINPYYCLAY-IBGZPJMESA-N 428.489 2.439 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 733755391 YBDXXOLNBMHALO-HXUWFJFHSA-N 433.468 2.239 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3CC)c2=O)cn1 735068989 OAOZEBOQQPUKHD-UHFFFAOYSA-N 449.580 2.096 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C)c(C)c3)c2=O)cn1 735069527 VMLKKWMCCWVNSL-UHFFFAOYSA-N 449.580 2.150 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 747583039 VJLBIDGJISXNHH-OTZFSBHDSA-N 438.406 2.315 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(CC)cc2)c1=O 758090350 PZWJJPJHRAGUJQ-UHFFFAOYSA-N 428.513 2.500 30 10 IEEE COc1cc2c(cc1C(=O)Nc1cccc(S(=O)(=O)/N=C3/CCCN3C)c1)OCO2 758954674 MZKXZNPRQTYFPH-QOCHGBHMSA-N 431.470 2.489 30 10 IEEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(C)C)cc1 762529751 RWIAJXRUQPUZLD-LJQANCHMSA-N 430.574 2.497 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C[C@H]1CCCO1 763703666 AYYRKYOFVZMMAS-QGZVFWFLSA-N 426.477 2.494 30 10 IEEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cc1 766419011 KEKDTENUHGFEDF-LJQANCHMSA-N 440.573 2.239 30 10 IEEE C#CCOc1ccccc1CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776042719 ARMACNBRMVGGDQ-FCHUYYIVSA-N 432.524 2.097 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1=O 778112777 DRLMUYRWMYPWMN-XMMPIXPASA-N 445.523 2.128 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)OCC)c2ccc(F)c(F)c2)c1 780494463 GTGJCARGQODVMJ-GOSISDBHSA-N 437.420 2.338 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)[C@H](C#N)C1 780607614 HQQIZDPDRYRPMG-NVXWUHKLSA-N 443.483 2.024 30 10 IEEE N#Cc1ccc(C2(C(=O)OCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 781391345 CEHNALIKRNYICZ-LJQANCHMSA-N 430.526 2.091 30 10 IEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)C1 783077360 PRZOYKPAPKWPGA-HNNXBMFYSA-N 445.472 2.131 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc3c(c2)OCCO3)N(CC[C@@H]2CCOC2)C1=O)NC1CC1 784125537 QWPJBVOTSXICIM-KUHUBIRLSA-N 445.541 2.485 30 10 IEEE CCc1c(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)nnn1Cc1ccc(F)cc1 786417970 NIWRYPGOITXZHO-UHFFFAOYSA-N 427.461 2.327 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n1 788810596 XBQPYOCEFQEXLY-OAHLLOKOSA-N 432.883 2.337 30 10 IEEE C=CC[C@]1(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 790132450 GGPPLQBAPMAEFZ-HSZRJFAPSA-N 435.565 2.430 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n2)s1 1083885910 PVMKJBYBTJXHDS-UHFFFAOYSA-N 433.479 2.304 30 10 IEEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CCO1 1134267621 BAHPXGVUAURBNN-GOSISDBHSA-N 445.463 2.247 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1136466470 TVBHTFYXONZLBB-SFHVURJKSA-N 435.546 2.401 30 10 IEEE CCOC(Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1)OCC 1138181631 YBOAJZQFVWWFAZ-IBGZPJMESA-N 425.489 2.079 30 10 IEEE C[C@@]1(c2ccc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cc2)NC(=O)NC1=O 1144280849 HDEYGMURQGGVJD-DEOSSOPVSA-N 431.496 2.007 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O 1153357475 DUCHKQUXGFXAFD-RBUKOAKNSA-N 427.501 2.038 30 10 IEEE Cn1c(=O)[nH]c(N[C@H](Cc2ccccn2)c2ccc(Br)cc2)c(C#N)c1=O 1163105625 CMCHRTMAYMHKHI-MRXNPFEDSA-N 426.274 2.499 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCn2ncc(I)c2C1 1178734257 NPUUHRSMZWQTTG-ZZXKWVIFSA-N 425.201 2.252 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)OC)c2)CC1 1206593106 KDLWWIVKABRUEQ-UHFFFAOYSA-N 426.517 2.457 30 10 IEEE C#CCN(C(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1208011729 CRRIYAIEKFJJTL-ZBFHGGJFSA-N 425.938 2.219 30 10 IEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286325244 TZASSGMKYKQFOT-LEWJYISDSA-N 442.608 2.456 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cnn(C)c1C 1286347329 LCZGVYWCWKXXSK-UHFFFAOYSA-N 440.577 2.330 30 10 IEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)C(=O)C1 1286504708 RYBOLQFBMVLREH-UHFFFAOYSA-N 433.965 2.260 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286612113 SQHRXQNBOIWKMK-KRWDZBQOSA-N 431.516 2.021 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2)C1 1286810188 YWLYSSDDSSPYDS-ROUUACIJSA-N 441.532 2.270 30 10 IEEE CC(C)N(C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287925759 GCAFRJPKFKXOJU-UHFFFAOYSA-N 445.575 2.197 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1288976709 CKWDILAZQYBKAJ-UWJYYQICSA-N 443.577 2.207 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1290067239 AJHLAJGFXMIFBS-FPYGCLRLSA-N 436.436 2.207 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1CCNS(C)(=O)=O 1298325513 KFLDIDLVCXVEDM-UHFFFAOYSA-N 445.936 2.051 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCN(CC)CC1 1300314705 ICKXXQPSMSYVOT-RTWAWAEBSA-N 448.619 2.248 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1300411583 UWJZXXYJUSVCAS-HXUWFJFHSA-N 437.544 2.443 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)c(OCC)c1 1300532414 UYJHPNCTBHUNAD-MRXNPFEDSA-N 443.454 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN1CCCO 1300583420 HNXVDKAERAVBLK-IBGZPJMESA-N 441.526 2.457 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1300631826 WJDMERWGKNRXJD-LJQANCHMSA-N 438.557 2.068 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN(C)[C@@H](C)CC)CC1 1300691291 SSAZIVYOEYZOFC-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccn2)CC1 1300852663 BPARZOCERYBYHJ-UHFFFAOYSA-N 441.337 2.289 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301057226 RZPMBWFNQONIPM-INIZCTEOSA-N 448.886 2.221 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC)C1 1301278976 SZVIBCNEELIEOB-QGZVFWFLSA-N 432.594 2.159 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCCO1 1301586912 PNVGJQJKDAKMJL-KRWDZBQOSA-N 439.607 2.240 30 10 IEEE COCCN(C)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1301740447 KULADCMRDYJLIY-YADHBBJMSA-N 434.585 2.027 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N1CCOCC1 1301956272 HRRGCZXNYGXRTP-OAHLLOKOSA-N 448.474 2.391 30 10 IEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC[C@](C#N)(c4ccccn4)C3)CC2)C1 1307987451 GEOAIKNXRSMCMU-NBGIEHNGSA-N 437.588 2.436 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(CC(=O)Nc1sccc1C#N)C2 1308078970 ZOXTVPCOCNHIND-LRAJWGHMSA-N 448.545 2.337 30 10 IEEE C#CCC1(NC(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)CCOCC1 1310988072 UPLKAKFSBRMULJ-UHFFFAOYSA-N 449.349 2.422 30 10 IEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1350521541 BKLHIKYPCURVGL-UHFFFAOYSA-N 442.523 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCOC[C@@H]1C 1358971709 GQRAUTSBLSLXGB-KRWDZBQOSA-N 429.471 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358971772 IGAXLRGLZOLZFD-LJQANCHMSA-N 447.461 2.290 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1359054805 IKSKUKVWLHIJJI-UHFFFAOYSA-N 438.557 2.088 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCOC1 1359067277 HPAUQZRUNNKXKB-DHIUTWEWSA-N 426.517 2.496 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1359097393 OIGLQXRADNMNNG-RLLQIKCJSA-N 430.553 2.290 30 10 IEEE C=CCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359220297 UOUMJBLRMQVTRO-UHFFFAOYSA-N 437.541 2.431 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1359277089 BNNGUUHXUBHXEX-HRAATJIYSA-N 434.562 2.169 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359303232 IGRNOXKTUODPTM-UHFFFAOYSA-N 437.466 2.259 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359343054 LDBZNRXGPGIEII-LJQANCHMSA-N 445.637 2.374 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1359476334 BRXADZUSHBXZNR-QFBILLFUSA-N 442.545 2.292 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3cc(C#N)cc(C)n3)C3CC3)C2=O)cc1 1437529854 ZDQQJABHGWAEID-HSZRJFAPSA-N 433.468 2.233 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)N(CC#N)c3ccc(F)cc3C)cc2S1(=O)=O 1438217906 YZUBBGJGZLQAGO-UHFFFAOYSA-N 431.445 2.095 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1 1452496594 IWQCWPBPIPBZEK-LJQANCHMSA-N 442.516 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@H](CC#N)c3ccccc3)n2)CC1 1457689070 FRJFZOPDHPJEMB-MRXNPFEDSA-N 425.493 2.498 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1462008491 AVHJLTSXWPKMGV-INIZCTEOSA-N 444.582 2.245 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1469106633 NXBXLFMZEFRUFL-MRXNPFEDSA-N 428.558 2.237 30 10 IEEE CN(C)C(=O)OC1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1475336994 DPTKPXFTRDCSAO-UHFFFAOYSA-N 434.287 2.311 30 10 IEEE COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1504587846 DJNWZMBBKJZZHF-VXKWHMMOSA-N 448.527 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1507515982 AELAIIPLIWFLID-YCRPNKLZSA-N 443.939 2.327 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1507537178 GSEZALXWXSCELC-OCCSQVGLSA-N 442.463 2.427 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507623038 OHGKYVAOLKGZIF-PMACEKPBSA-N 435.638 2.396 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1507635769 VFMAFMABDYRORK-MRXNPFEDSA-N 431.562 2.191 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCOC1 1507700539 SETWIWQZLDDFKR-AEFFLSMTSA-N 449.552 2.094 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(C)C)N1CCCC1 1507710772 VCGOSPPSGLJCPU-LJQANCHMSA-N 442.564 2.212 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1507997586 BPWGPEGRBYCAJR-UXHICEINSA-N 441.532 2.236 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC[C@H]1C 1508073560 YMZRUQLRCRQIQF-MRXNPFEDSA-N 428.562 2.391 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H]1CSC 1508086065 XLIMQSYENSLXSY-QGZVFWFLSA-N 425.562 2.151 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1508147995 OVYYDZHWWAKCSY-IIBYNOLFSA-N 444.561 2.229 30 10 IEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1508150328 JCIDTYKRGKKXSA-UHFFFAOYSA-N 446.396 2.190 30 10 IEEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1513645356 SYEBNYFLWHAPJM-LBMBTHBCSA-N 449.490 2.476 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)SC)CC1 1516830000 BWLZIWFJJDYCGY-HNNXBMFYSA-N 448.618 2.476 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517124448 IDQLDEUMHPUMLN-DQRAZIAOSA-N 431.500 2.265 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CC1(SC)CCN(C)CC1 1519166391 HAFQISYQNOWJHD-UHFFFAOYSA-N 431.610 2.477 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC=CCO2)c1 1519513206 WOFIAKOOJCSSBQ-OXJNMPFZSA-N 431.493 2.136 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1539011951 ILRLDLPUSFOUIP-SJORKVTESA-N 432.569 2.375 30 10 IEEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539052392 DLVACCAMAVDUCX-QFBILLFUSA-N 429.496 2.312 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1539162388 QITKFIFETOTXMP-UHFFFAOYSA-N 432.546 2.247 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(C2CC2)C1 1539300926 YPMXEJIVQASAPZ-GBXCKJPGSA-N 425.577 2.266 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539617449 WMOVGVJVAVGXOL-AQNXPRMDSA-N 446.596 2.347 30 10 IEEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)COC)CC1 1540027181 REJKHELFUJSMNS-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)CC2(CC2)C1 1540343079 XMXHXBLAZFNROO-UHFFFAOYSA-N 438.347 2.366 30 10 IEEE C=C[C@@](C)(O)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1540717884 XJHJSEDGTNNQLT-NRJHKNTJSA-N 442.440 2.386 30 10 IEEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1540863771 FDFBGWPQHDUMNU-HNNXBMFYSA-N 442.511 2.360 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1540877295 PSWDPXYCJZNMCQ-LJQANCHMSA-N 443.523 2.145 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)(F)F)C1 1540894464 YGSCAYMOBRDDIL-AWEZNQCLSA-N 429.468 2.390 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)C1 1540937775 GLPLYEKPWAEDSF-DENIHFKCSA-N 435.576 2.462 30 10 IEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC1 1541513415 RVWCOTLFEQSEKC-UHFFFAOYSA-N 435.532 2.483 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1545692244 QOQRWURDPVJJFU-POAQFYNOSA-N 449.559 2.084 30 10 IEEE COCCN1C[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1555575062 JLEAIIKTWJUOIG-GJZGRUSLSA-N 431.928 2.227 30 10 IEEE C#CCNC(=O)CN1CCCN(c2c([N+](=O)[O-])cnc3cc(Br)ccc23)CC1 1559098015 JPOAJGRSSYGOQG-UHFFFAOYSA-N 446.305 2.167 30 10 IEEE COc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1562832652 CCSBMRNIBHWKFZ-HNNXBMFYSA-N 431.474 2.019 30 10 IEEE CC(C)(C)OC(=O)N1CCOc2c(Br)cc(C(=O)NCC#CCO)cc2C1 1568143797 DDJQLLOWBMCNLT-UHFFFAOYSA-N 439.306 2.304 30 10 IEEE C#Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 1583841339 RIZBNLRNWPSDJH-GOSISDBHSA-N 427.482 2.293 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1587527424 WCPUZYQYDZVART-UYAOXDASSA-N 437.393 2.157 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1N1CCOCC1 1587663272 WEPJVSUTICGFTH-IBGZPJMESA-N 436.560 2.052 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1587809088 YXEJHPQSWFYLPG-UZLBHIALSA-N 429.496 2.312 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1587989106 HCMZUAMHTBBKQH-GOSISDBHSA-N 443.573 2.283 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CC1 1588180504 GZZADDLLGXZQOJ-LJQANCHMSA-N 439.585 2.391 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCOCC2)nc1 1595292211 VBJNWMHEPOPPGC-UHFFFAOYSA-N 437.548 2.202 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1595613777 IBUQLKLSSLSUEP-UHFFFAOYSA-N 436.516 2.357 30 10 IEEE COc1ccc(CNC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)cc1C#N 1598140039 FXIZXFVVHLHGKF-UHFFFAOYSA-N 429.436 2.027 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1611790548 GUPXIDBEUCDPCX-MJGOQNOKSA-N 438.532 2.246 30 10 IEEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1620039523 BXVOHHOJZHYKPJ-GOSISDBHSA-N 438.532 2.433 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c1C 1623933762 VFGKUNCVALEPGU-UHFFFAOYSA-N 440.565 2.411 30 10 IEEE Cn1c(S)nnc1CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1628469668 FOFQABGVYWGIEM-MRXNPFEDSA-N 428.518 2.126 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1628662040 HHSNLSQRBMNXGV-QGZVFWFLSA-N 430.367 2.097 30 10 IEEE CC(C)C[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 1636714729 YBQVNMQDLJVMPP-YQQAZPJKSA-N 426.542 2.453 30 10 IEEE CSc1nc(O)c(C(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 1639619618 USAMZBVLEGMGIU-UHFFFAOYSA-N 432.527 2.048 30 10 IEEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 1644429076 NSROMBBEBWCKPD-UHFFFAOYSA-N 432.586 2.389 30 10 IEEE CN(CCc1ccc2c(c1)OCO2)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1648335846 AOBWPKAKUKFRON-NRFANRHFSA-N 438.503 2.438 30 10 IEEE COc1ccc(Cn2ncc3cc(C(=O)N4CCN(CCC#N)CC4)cnc32)c(OC)c1 1648962898 DBUOPNGQMHVJJJ-UHFFFAOYSA-N 434.500 2.168 30 10 IEEE C=CCn1c(SC[C@](O)(C(N)=O)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 1652469422 PABDFJUZAULJOL-PGRDOPGGSA-N 438.509 2.442 30 10 IEEE CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cc(Br)ccc1C#N)CC2 1654268337 COTGRQQXTOPRNX-HZPDHXFCSA-N 429.336 2.261 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)C1 1657626731 OWXISANWWAWNHD-QGZVFWFLSA-N 435.594 2.002 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cn(C)nc2I)cc1 1657966017 VRECMRHBDBCAMH-UHFFFAOYSA-N 446.314 2.443 30 10 IEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 1671510592 LJJSVMBGRHQZSC-UHFFFAOYSA-N 447.561 2.300 30 10 IEEE C#CCN(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCc2ccccc21 1683813713 XMEDKPJEVVGTEI-JOCHJYFZSA-N 446.555 2.238 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(OC)CCC(C)CC2)CC1 1690145896 AMXYRYIJKRJFFG-RKRRMPDFSA-N 443.592 2.343 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC 1690160078 WKHUCZVIXLFPKA-GFCCVEGCSA-N 439.383 2.220 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](CNC(C)=O)C1 1690220196 UBGQEXQDRIHKRQ-GDBMZVCRSA-N 444.374 2.263 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(CCS(C)(=O)=O)C1CC1 1690249748 ABGKAFFCLTYTGJ-RXVVDRJESA-N 445.589 2.259 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1 1690497586 VACRTRACHKMKRY-MRXNPFEDSA-N 432.550 2.141 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1)C1CC1 1690545103 JXIXXMSQUZJSTN-QGZVFWFLSA-N 429.546 2.342 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1690590345 VRUBJBKHJFTROG-UHFFFAOYSA-N 425.489 2.101 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1690694823 WGNVYOPBZRIKGV-INIZCTEOSA-N 429.496 2.148 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nccnc2C)C1 1690714268 ITIYVIDHBLBCNI-BJLQDIEVSA-N 428.537 2.125 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1690723633 XFTYFBNDCSJBHZ-UTKZUKDTSA-N 433.578 2.157 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)C1 1696951492 XEVZZECIDRLKOB-KRWDZBQOSA-N 428.562 2.444 30 10 IEEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1697779971 ZHTPUOKRYQWMHL-OALUTQOASA-N 425.468 2.113 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)c1ccccc1 1698138207 SQZNBCPTBHZFHB-KRWDZBQOSA-N 447.561 2.216 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc2c(c1)OCCO2 1698230820 MVYZDWHZGDUICF-SYNHAJSKSA-N 427.505 2.417 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCCOC4)C3)n2CC(=O)NCC(F)F)cc1 1698487278 GFVMKTYUDTYNLH-OAQYLSRUSA-N 430.459 2.205 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)[C@H](C)CC)CC1 1705639138 HBTTVUIIMIBGJI-ZHRMCQFGSA-N 439.560 2.343 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)[C@@H](C)CCC)CC1 1705641072 PEFZSJWMRHQBHO-NRFANRHFSA-N 436.604 2.485 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705804167 RKASYQBGOGYYBB-GOSISDBHSA-N 425.581 2.429 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1705908027 FRXIGZLEOBPQMQ-JOCHJYFZSA-N 431.512 2.396 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705910877 QNDXETGFGOZEOM-PKOBYXMFSA-N 443.548 2.270 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 1705913925 BHZGAKPATMHSKS-HXUWFJFHSA-N 441.532 2.213 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1712476976 GXMNTSSXSXSXTB-FQEVSTJZSA-N 437.592 2.317 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCn1c(O)nc2ccccc21 1712625080 OLBLZZSCTLODAL-BXWFABGCSA-N 439.520 2.353 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(c2ccccc2OC)C1 1722369971 DOBMKMZSWVCVTN-FQEVSTJZSA-N 446.555 2.122 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1722372461 WZNQTWPPNZBSHX-RHSMWYFYSA-N 449.602 2.070 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(OC)cc2)CC1 1722439895 TUNHZRFFROIFGT-UHFFFAOYSA-N 432.528 2.107 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCC[C@@H]2C)CC1 1722440920 DYDXFVYIDFKHSP-FQEVSTJZSA-N 438.576 2.105 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722536020 BMBNYJMXTSJRRR-ROUUACIJSA-N 426.583 2.168 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1722630744 RAKXASRAJUVINR-VZCXRCSSSA-N 449.515 2.296 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2CCCC[C@@H]2C1 1722730681 ZUBXQEGFRPHMKR-GOSISDBHSA-N 435.619 2.206 30 10 IEEE CN(C)C(=O)CCCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729300415 CDNDFDMBLQGIQU-UHFFFAOYSA-N 431.500 2.348 30 10 IEEE COc1cccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)c1 1730250389 ZWSMXFQEOPHKHE-INIZCTEOSA-N 441.513 2.338 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740623964 BJUASESGKUPAEB-HXUWFJFHSA-N 442.585 2.109 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1740637715 BRWARFOQOIPDSE-RUZDIDTESA-N 444.539 2.299 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1740671103 ZKZSHQCHCRSSMB-JTSKRJEESA-N 433.553 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1740706375 SYJYLQBVAWKXNZ-HSZRJFAPSA-N 425.533 2.239 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1740730481 ABTXYQOLVLAKAW-SIKLNZKXSA-N 443.573 2.468 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740736102 FEBZPNVRRLPQIC-CQSZACIVSA-N 436.358 2.442 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740761667 PDXGGBANXQKUOP-UTKZUKDTSA-N 441.580 2.435 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(N)=O)CC1 1740787786 KITWOXVHMRWKHA-UHFFFAOYSA-N 437.342 2.330 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740790151 CIZMXFFEIAIQPS-UHFFFAOYSA-N 438.532 2.367 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(C)(=O)=O 1740894868 KUCCTLSMXCTMDM-UHFFFAOYSA-N 429.340 2.383 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1740954720 FHFOKYSTAMRYSM-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1740976586 LELSODLXNAWXGA-ROUUACIJSA-N 431.562 2.255 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cscn2)CC1 1741005848 TVERZFZRYDBDHT-UHFFFAOYSA-N 447.634 2.098 30 10 IEEE Cc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1742439229 JFTPGUVGOBKKGY-UHFFFAOYSA-N 431.500 2.308 30 10 IEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCOC)CC1 1748287531 GAZYDSKWOQNKKC-UHFFFAOYSA-N 441.536 2.007 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1748687160 DIUBUSYBMCESOH-INIZCTEOSA-N 432.546 2.148 30 10 IEEE C#CCCCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1748726868 KPSQCNXCJDBYCJ-UHFFFAOYSA-N 442.608 2.319 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748817657 NRRDFHYEWQLNQH-BRWVUGGUSA-N 442.532 2.234 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC2CCCC2)CC1 1749015891 QWXLQLBICVMFIF-UHFFFAOYSA-N 440.592 2.337 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1749055088 DRCLXSZRADXVFP-DNQXCXABSA-N 445.608 2.422 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC 1749060434 PBQXMEJNGLLOGG-OAQYLSRUSA-N 432.546 2.389 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc3O2)CC1 1749329160 HMLNTMUABRKQKN-DOTOQJQBSA-N 447.561 2.131 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCC2)C1 1749456813 BACSYEBBBYKRRD-SFHVURJKSA-N 438.594 2.312 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1749546905 GIBZJJASTBGCJC-LJQANCHMSA-N 449.490 2.103 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1749666703 QBRFRXXNUBXOOW-ZIAGYGMSSA-N 439.545 2.226 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)C1 1749708260 JBSYWVBHBXYSOO-MOPGFXCFSA-N 427.553 2.364 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(C)C)CCO1 1750016177 PHQBWMGZIGKSDI-NRFANRHFSA-N 440.548 2.221 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CCOCCCO)cc1 1750382972 MPDYJXLSTVZRDG-OAQYLSRUSA-N 425.533 2.469 30 10 IEEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1750558475 GQMRKVHIJRXZQS-UHFFFAOYSA-N 438.536 2.218 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCSCC1 1751251519 GBEOBICTKAOSFD-QFBILLFUSA-N 446.552 2.335 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1760111217 KXYBICYQQSTSAJ-MRXNPFEDSA-N 435.532 2.001 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760187371 VNWIQYLFDAUKIC-PMACEKPBSA-N 435.638 2.368 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC[C@H](C(F)F)N1CCOCC1 1760200765 SUKIWIWEVPYJMA-LJQANCHMSA-N 428.487 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCSCC1 1760214741 AEHBVRIFWSMDLL-UHFFFAOYSA-N 439.585 2.474 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760322096 NZDZMXBUWSXVJR-GCJKJVERSA-N 444.624 2.249 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCC 1760334133 RNYVPFICQPJNNR-UHFFFAOYSA-N 433.582 2.167 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760867545 YIUPEIGGBIMIHT-GCJKJVERSA-N 426.521 2.462 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1761370457 BPEPUERDBDBOKW-HJPURHCSSA-N 440.548 2.370 30 10 IEEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CC1 1766501615 SRVXQXBSQDINPQ-MRXNPFEDSA-N 438.598 2.225 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CCCO1 1768997469 JSUOWXQPHDNLEU-KBXCAEBGSA-N 435.326 2.344 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1769296913 TWFOFXFZWOOPEI-UHFFFAOYSA-N 426.452 2.472 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1770340979 ZHTOEPDGVIPKRL-UHFFFAOYSA-N 437.953 2.400 30 10 IEEE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)N(CC#N)CC#N)c(C)c32)cc1 1772749263 SFSRLQTXRNRJNZ-UHFFFAOYSA-N 439.497 2.405 30 10 IEEE CCOc1ccc(CN2C[C@H](C(=O)N3CCc4[nH]nc(C#N)c4C3)CC2=O)cc1OCC 1850419878 ULRJDAQRMMBWHV-MRXNPFEDSA-N 437.500 2.012 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](c2cccc(C)c2)N2Cc3ccccc3C2=O)NC1=O 1851146379 FNAXBWCWDCOODY-FQEVSTJZSA-N 444.491 2.403 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1cc2n(n1)CCC[C@H]2N1CCOCC1 1852734891 YIINXDCPFBDJDN-RHSMWYFYSA-N 443.939 2.298 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)cc1 1853896786 VYQZJZDFZAWAMW-UHFFFAOYSA-N 431.901 2.388 30 10 IEEE C=CCCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1854683337 WJNSFYFBTOFIIM-IAGOWNOFSA-N 439.603 2.174 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862691383 LNMIOBIOHPMFOQ-LJQANCHMSA-N 438.436 2.108 30 10 IEEE C=CCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863534714 HEFYQFJRDKJLGR-UHFFFAOYSA-N 445.928 2.086 30 10 IEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866869014 XQBHVXHOAGWLKR-OALUTQOASA-N 442.541 2.149 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@@H]3C#CCN(C)C)SCC(=O)N2C2CC2)cc1 1889885386 ONPMSIFWKGEZLP-NMNUPHIUSA-N 441.597 2.399 30 10 IEEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891317502 TZPHFNAGWKPCRH-MRXNPFEDSA-N 429.498 2.297 30 10 IEEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1892079172 GKEBDSYAJGRFLL-OAHLLOKOSA-N 432.458 2.350 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](CO)Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 1901228169 ZTTKGAWTIRAODW-CYBMUJFWSA-N 427.738 2.332 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)C1 2011681789 MYAOIXGNAVRTMK-HZPDHXFCSA-N 439.553 2.334 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2065168225 BUSSAOSQUGRLIH-UHFFFAOYSA-N 442.272 2.264 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2141245162 UZYDQCNRJJVEFH-INIZCTEOSA-N 447.341 2.083 30 10 IEEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2243406279 WCRLJTVHUKVKSI-UHFFFAOYSA-N 439.321 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247832365 OBSBHDZMOAGDHK-CQSZACIVSA-N 437.371 2.475 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCONC(=O)OC(C)(C)C 2247917026 ATQWKZDQJSQCSD-UHFFFAOYSA-N 441.359 2.327 30 10 IEEE Cn1cc(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255654487 XQBGMLTVILAHGS-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE Cc1nc(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256636093 JIVHPARDBDSSHJ-UHFFFAOYSA-N 432.330 2.280 30 10 IEEE CO[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2256669210 MHTKDHDMJZIIIA-KRWDZBQOSA-N 436.358 2.400 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2256679031 SKQBWLUFMYTERC-QDMKHBRRSA-N 449.382 2.171 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2256911768 HBRSYYRRXCZECY-MRXNPFEDSA-N 444.362 2.362 30 10 IEEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267141993 OBNHHJVBPSUVDN-UUOWRZLLSA-N 436.365 2.351 30 10 IEEE CCn1cc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267179947 AOOSAEOFDDATSV-HNNXBMFYSA-N 448.373 2.189 30 10 IEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267494160 PUNHSNJDCGODJG-XMMPIXPASA-N 440.349 2.288 30 10 IEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267878838 BZYKMMKLTZURCS-CABCVRRESA-N 446.357 2.151 30 10 IEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268664300 SWQLCJZQVPVXDW-UHFFFAOYSA-N 443.313 2.136 30 10 IEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268707509 WBOGAFKSDBUBNU-UHFFFAOYSA-N 447.341 2.392 30 10 IEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268712302 SEMWMMOPWYOQPS-XLOAEROZSA-N 447.341 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCCOC1 2268716804 HIERFIKUSUZZDW-JOCHJYFZSA-N 447.341 2.393 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](OCc3ccccc3)C2)n1C 2315592927 COZSQOCEGVXYJG-SFHVURJKSA-N 425.338 2.459 30 10 IEEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2343884322 QGZVCDGIBWFQBA-UHFFFAOYSA-N 449.787 2.026 30 10 IEEE C=CCOc1ccccc1C=c1sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O 254294258 NGOODEGGXASQEI-UHFFFAOYSA-N 433.489 2.223 30 10 IEEE C=CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 410076397 YUPRWSPHAGGZOB-QGZVFWFLSA-N 438.933 2.494 30 10 IEEE Cc1cc2c(N3CCN(CCS(=O)(=O)c4ccc(C#N)cc4)CC3)ncnc2s1 444696007 NLMLRPVNJNQIPA-UHFFFAOYSA-N 427.555 2.467 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c(C#N)cn1CCOC 446188731 MOCRFXLCXGLYPF-OAHLLOKOSA-N 442.398 2.341 30 10 IEEE CC(C)O[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 463804641 BJKDJHPBNHQFPR-RTBURBONSA-N 434.562 2.166 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475755634 IAAHBYYNNOWKDE-VBKZILBWSA-N 430.530 2.492 30 10 IEEE C[C@]1(c2cccc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2)NC(=O)NC1=O 482709754 PFYZECPMALRBAY-HSZRJFAPSA-N 431.496 2.029 30 10 IEEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2)CC1 506789843 JTUKQJCVAUZIBE-UHFFFAOYSA-N 442.516 2.304 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 508921123 XUCKKIKGUFDBQV-CYBMUJFWSA-N 431.971 2.148 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3nc(C(F)(F)F)cs3)C2=O)cc1 521282241 IKDBFNSSNSKAOS-LBPRGKRZSA-N 437.403 2.284 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@H]3CN(Cc4ccccc4)CCO3)cc2C1=O 525468238 PSOUGFFLSALJRA-HTAPYJJXSA-N 433.508 2.488 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)CC1 532894388 VHGIQIPAKUQECA-UHFFFAOYSA-N 441.601 2.361 30 10 IEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1Cl 541665905 SVEQASDHFNABEE-ICSRJNTNSA-N 438.915 2.477 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccccc2F)nc1C 586349455 MGYTTYTUECIHAB-GDLZYMKVSA-N 439.490 2.259 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)cc2F)cc1OCC 609231488 YCEQTRREVDUJIZ-UHFFFAOYSA-N 435.477 2.089 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](C(=O)N2CCCC2)C1 609553251 KXWMRDWANZQKFP-LJQANCHMSA-N 429.565 2.286 30 10 IEEE N#Cc1cccc(OC2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 729880831 CNVLSURXFMECFO-UHFFFAOYSA-N 434.496 2.403 30 10 IEEE N#C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CCN1C1CC1 732652160 PGOUIOOEEKIBSH-ZWKOTPCHSA-N 431.334 2.252 30 10 IEEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCN1C1CC1 732664722 TZNVFUPEFKEICA-KRWDZBQOSA-N 430.555 2.039 30 10 IEEE CCCCCC(=O)NC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742600299 AHIPTRINZUVIBI-INIZCTEOSA-N 448.589 2.191 30 10 IEEE C[C@@H](CC(=O)OCC(=O)c1c[nH]c2ccccc12)/N=C1/NS(=O)(=O)c2ccccc21 745495264 FHVKJNABNALSNT-ZDUSSCGKSA-N 425.466 2.411 30 10 IEEE CN(C)C(=O)Sc1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 752529823 MPAJVQSFVOGAFM-UHFFFAOYSA-N 433.511 2.354 30 10 IEEE Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 756779928 LMTGHTNAQVPZQX-TZIWHRDSSA-N 432.528 2.255 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CCCCC1 760401574 LNQHGEFZCRQZRQ-UHFFFAOYSA-N 445.588 2.066 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)c1OC 780023258 JOLLXDNKEJYHKE-JPYJTQIMSA-N 439.468 2.470 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 780175699 CVPXFIDPRJCOJX-QFIPXVFZSA-N 433.480 2.279 30 10 IEEE CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 780198057 HIEXODGRGUQYJX-AEFFLSMTSA-N 438.484 2.399 30 10 IEEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCCC2)nc1 789968538 PMVUQPOFNZDOPE-UHFFFAOYSA-N 426.550 2.160 30 10 IEEE C=CCC1(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)CCC1 791564718 YSLBYFOCTPKEFX-UHFFFAOYSA-N 425.485 2.133 30 10 IEEE C[C@@H]1CC[C@@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 795184728 WRZXNNHHHGOAKP-XUWXXGDYSA-N 432.546 2.213 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 802409519 UIILDWOHBKCBRA-LJQANCHMSA-N 438.532 2.214 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)NCCn3cnc(C#N)n3)c2F)C1 806530910 DUUFQGSSNBMLRR-UHFFFAOYSA-N 429.456 2.404 30 10 IEEE N#CC1(NC(=O)c2cn(CCO)nc2C2CCOCC2)CCN(Cc2ccccc2)CC1 856671427 SWAQZJDGOOBWEQ-UHFFFAOYSA-N 437.544 2.058 30 10 IEEE COC(=O)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCCC1 1133608983 POWHSWYYORMJBQ-ROUUACIJSA-N 426.473 2.001 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)n[nH]2)c1C 1136174119 BMFVRUYBSGFDLH-UHFFFAOYSA-N 433.472 2.380 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)c1ccc(Br)cc1 1159634937 UVQKVMXRYBNUNO-SFHVURJKSA-N 449.326 2.248 30 10 IEEE CC[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccccc1OCC(=O)N(C)C 1192772798 YSACOZQCQRBVER-OAQYLSRUSA-N 433.508 2.494 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCS(=O)(=O)c1ccccc1 1286377240 SKIKVHJGIYNDOC-UHFFFAOYSA-N 448.552 2.450 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CN(C2CC2)C1=O 1286514921 RSJOLOOTWJUKGY-DHIUTWEWSA-N 426.565 2.200 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286546214 HIZCFNKNPVAAAM-ROUUACIJSA-N 446.596 2.092 30 10 IEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1286679502 QHNMZRUAEXABPR-FQEVSTJZSA-N 447.543 2.390 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286792354 VKQZJHWSZMZOQI-ROUUACIJSA-N 442.564 2.087 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286814691 DSIIXIGONPIFKO-VQIMIIECSA-N 429.546 2.421 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)no2)CC1 1286816602 HSINCFDNSLVJBV-INIZCTEOSA-N 436.582 2.011 30 10 IEEE CN(C)CCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cn1 1291720970 IYAPZJUBKOZSSG-GFMRDNFCSA-N 446.577 2.290 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1291806060 YWNLOAKLNAPQOR-JCGIZDLHSA-N 438.488 2.236 30 10 IEEE Cn1cc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1298819546 BIUILKULITWHJU-NXDJFEHLSA-N 438.536 2.177 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)COc3cccc(C#N)c3)CC2)C1 1300374065 GJWHAYGAQHKKCX-QGZVFWFLSA-N 427.501 2.118 30 10 IEEE C#CCCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300376285 IZCKNEOFAIENSL-QHCPKHFHSA-N 444.580 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(O)CCN(C(C)C)CC1 1300673566 PTPDUNNOXFDJMV-UHFFFAOYSA-N 431.606 2.252 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300990447 DQJOQZVGDNTVMG-OAQYLSRUSA-N 431.562 2.256 30 10 IEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1301248136 ADEQAJBSMNGBEG-UHFFFAOYSA-N 444.561 2.101 30 10 IEEE C=CCn1c(N2CC(=O)N[C@H]3CCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474264 XGFQCICZFJFQAT-VVLHAWIVSA-N 430.553 2.482 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1301496518 BTKOJBKDNHHMLQ-HUUCEWRRSA-N 446.577 2.418 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1302031562 XCPJTOGZBPFJCW-YCRPNKLZSA-N 440.483 2.277 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)n(Cc2ccccc2)c1C 1308138923 AIPRFZMIZVNGJD-GOTSBHOMSA-N 435.572 2.494 30 10 IEEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CCOCC1 1350754520 WXOPIYGOEPJQFO-UHFFFAOYSA-N 438.546 2.418 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358932037 WMDISFJJZHNFRG-IBGZPJMESA-N 432.532 2.075 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2ccccc2)CC1 1359043608 ASUNWFUOUMYILZ-DEOSSOPVSA-N 432.528 2.147 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359051238 QFVNUMMVGOKXDG-KRWDZBQOSA-N 449.558 2.233 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1occc1C 1359063444 SOYMFODFHBHZPH-JOCHJYFZSA-N 426.521 2.130 30 10 IEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NC(C)C)CC1 1359177917 DWSQQRODDCCENT-UHFFFAOYSA-N 438.580 2.379 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1 1359278354 RATGLDFZPODMOL-UHFFFAOYSA-N 430.528 2.406 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](COC)OC)C1 1359321202 BVRRVKZBHORQSH-MBOZVWFJSA-N 430.505 2.233 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](COC)OC)C1 1359321203 BVRRVKZBHORQSH-UWVAXJGDSA-N 430.505 2.233 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC2(CCCCC2)C1 1359334692 OAYRVJQWJDEKHA-UHFFFAOYSA-N 435.594 2.162 30 10 IEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCOCC1 1359335284 HHSXIPRXSZDFFH-UHFFFAOYSA-N 438.575 2.016 30 10 IEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1443932699 HZFMAWVUDPXYEH-MUVJSTKWSA-N 427.567 2.053 30 10 IEEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)cc1=O 1456431356 ICNOVQFISIJVEE-LJQANCHMSA-N 430.468 2.110 30 10 IEEE COC[C@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCCN1C(=O)OC(C)(C)C 1463915021 PIRAQLBVCXGXCS-QHCPKHFHSA-N 443.548 2.408 30 10 IEEE CC1(C)Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2O1 1464031764 JFNSTDXMZBDMOW-UHFFFAOYSA-N 425.510 2.418 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 1465527674 ARKLRLMWGIVFHW-OLZOCXBDSA-N 432.930 2.217 30 10 IEEE C=C(CCC(=O)OC)C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1467410710 YHJZAXKSPBWDJM-CQSZACIVSA-N 437.459 2.096 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1469533743 FLQBEMADPHDCFM-KRWDZBQOSA-N 432.571 2.148 30 10 IEEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1471983700 GESFEGQIDOXCFJ-IBGZPJMESA-N 449.511 2.144 30 10 IEEE N#CCc1cccc2c1CCN(C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1478944400 AQBKSYLUMJZIDZ-UHFFFAOYSA-N 438.553 2.255 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OCC=C)C1 1507583649 UJNUHJUXTNDVFW-QGZVFWFLSA-N 428.562 2.433 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1507629499 UOUILADPQIRWBI-MOPGFXCFSA-N 441.582 2.339 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507640635 UUMMEDXBCITNIH-LEWJYISDSA-N 442.585 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)CC(F)(F)F 1507645514 DCLRJYBZTCCSSQ-UHFFFAOYSA-N 433.434 2.283 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCOC[C@@H]2CCOC2)CC1 1507724196 KFOOIOBUKMRTDM-QFIPXVFZSA-N 437.588 2.376 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1507741347 QDALCJMQGWVSNF-DNVFCKCGSA-N 429.565 2.443 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507755320 MFLGVWKPBHNTNP-QFIPXVFZSA-N 427.574 2.228 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1507915442 VGUAXVVOOZQWDF-JKSUJKDBSA-N 435.598 2.218 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCSC(C)(C)C1 1508084171 JUUBNQWMHQLNKT-UHFFFAOYSA-N 425.562 2.151 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)C(=O)NC 1508137678 PZTZYZYPLUNDHA-AWEZNQCLSA-N 439.969 2.018 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCN(C)CC1 1517575567 CIFATPOYKFUHEX-UHFFFAOYSA-N 441.605 2.216 30 10 IEEE COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)COc2cccc(Br)c2C#N)O1 1524585507 AHQZBSNYKXLKHU-PREXVCJDSA-N 437.290 2.410 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1538975947 FUKAIYGHXWFHBF-VGSWGCGISA-N 446.573 2.034 30 10 IEEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539056332 YEPBNSUDJRTNMM-UHFFFAOYSA-N 433.516 2.471 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1539127719 NFMNEJNKTWVGGT-UHFFFAOYSA-N 430.512 2.345 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1539514367 YLKDSHHQZIFHRR-QGZVFWFLSA-N 441.605 2.480 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC(F)(F)C2)CC1 1539849547 XZNQQEJNCDRPFM-CVEARBPZSA-N 445.536 2.203 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 1539886140 FILNCURQJNIBOZ-UHFFFAOYSA-N 426.433 2.364 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1539961557 ZHDGCVBHTZNEND-NRFANRHFSA-N 445.593 2.296 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 1540444292 KEALJWGFBUTGKK-GAJHUEQPSA-N 442.516 2.268 30 10 IEEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1540863772 FDFBGWPQHDUMNU-OAHLLOKOSA-N 442.511 2.360 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1540890738 JKOJYXMEZAUGHM-GOSISDBHSA-N 431.562 2.217 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(CC)n2)C1 1540892948 UOJPKMIPOMWNGX-HOCLYGCPSA-N 437.591 2.029 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1540902328 HFUXVKNQBCRXDL-UHFFFAOYSA-N 433.582 2.045 30 10 IEEE CCCC(O)(CCC)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1546927468 MAYDZHWEQQQBGL-AVRDEDQJSA-N 435.569 2.379 30 10 IEEE CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1547018630 CWVMRZLSDRTFLA-CRAIPNDOSA-N 432.550 2.138 30 10 IEEE CCCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NCCOC)C1 1548368104 SQCQLXYVHOLJLC-QGZVFWFLSA-N 426.439 2.157 30 10 IEEE Cn1ccc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)n1 1554341338 CVIZZUCCDGWJSF-QGZVFWFLSA-N 429.431 2.251 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccc2c(c1)OCO2 1555636558 KLJJKZHHADBJBZ-YCRPNKLZSA-N 447.467 2.252 30 10 IEEE N#Cc1ccnnc1N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1559048392 DQXRXFXSCILXMX-UHFFFAOYSA-N 442.726 2.275 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)c1 1559387448 WLOOUOOBBDNZED-HSZRJFAPSA-N 434.452 2.100 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)cc1 1562235431 DCFHRDFNZAWAOK-QGZVFWFLSA-N 442.491 2.477 30 10 IEEE COC(=O)C[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1566137792 PBRFNUYEQZVNNG-PXNSSMCTSA-N 443.500 2.183 30 10 IEEE C#CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1568787661 MDHZGDJRERBIEW-AQNXPRMDSA-N 446.569 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)CN1CCOCC1 1587599487 OCMXEOBNRFJYDZ-ROUUACIJSA-N 427.549 2.389 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@](C)(C(F)(F)F)C1 1587659138 WUSXLTGMGKIMQL-KSSFIOAISA-N 447.479 2.320 30 10 IEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1588006565 NQPUSCIKMVNFKZ-UHFFFAOYSA-N 428.500 2.165 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)c1cc[nH]n1 1588288618 DUAABPCPWXSPEH-UHFFFAOYSA-N 427.896 2.220 30 10 IEEE C#CCOc1ccc(C(=O)N2CCC[C@@H](n3nncc3I)C2)cc1 1588403479 DTSYBIHDFGARCC-CQSZACIVSA-N 436.253 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(N2CCCC2)CCOCC1 1588628928 QTEPNCKJLJMGEM-UHFFFAOYSA-N 438.576 2.380 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1589151327 XJMLUFUAOUIIFJ-IFXJQAMLSA-N 436.607 2.142 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(=O)NC)C1 1589483279 OHCRRDWBUJFXFH-AOIWGVFYSA-N 446.596 2.140 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1594839797 UKKJISADFHHHAH-UHFFFAOYSA-N 444.967 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](CC)C1 1595811947 IEBRROGPMGBKJG-QGZVFWFLSA-N 428.562 2.354 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1595831908 ZKMZTIBXSKWQCB-RTBURBONSA-N 448.593 2.385 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1595896134 VGNBGAAFVSOUGM-UHFFFAOYSA-N 441.561 2.324 30 10 IEEE C=CC1(CC(=O)NCCNS(=O)(=O)Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 1596336318 IQNXLAKSSBRFMI-UHFFFAOYSA-N 437.562 2.035 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 1597137411 CRRHJRUZKARYIY-NRFANRHFSA-N 439.537 2.186 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 1597256112 PXOODRKAARBWNN-GFCCVEGCSA-N 428.536 2.140 30 10 IEEE C#CC1(O)CN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(OCC)cc2)C1 1603217551 UMZPKEGPENDWLG-UHFFFAOYSA-N 435.509 2.027 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1611320227 TXVWIGOYMWWQJQ-ZACQAIPSSA-N 443.556 2.469 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCOCC(F)F)CC2)c1C#N 1612470324 PKNPPVMQGDVBQS-UHFFFAOYSA-N 436.511 2.314 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1613132314 OADDCZMGVQOOOK-YGWPLHOASA-N 441.532 2.238 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1614348885 DFVMOLQSTHRQSL-IAGOWNOFSA-N 437.548 2.036 30 10 IEEE N#C[C@@H]1CN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CCN1Cc1ccccc1 1617186493 VKOVAHJLGJYHSH-MRXNPFEDSA-N 432.311 2.355 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(C)C 1617267304 COENBKVQKUQENW-KRWDZBQOSA-N 432.594 2.416 30 10 IEEE C=CC[C@@]1(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1617424126 IUFZFSGTKRVREE-QFIPXVFZSA-N 439.553 2.430 30 10 IEEE COC[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C1 1619724073 KQBIEZCUVSLNCL-AWEZNQCLSA-N 426.502 2.255 30 10 IEEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1624080923 YZTYUDKKJOHOSB-IBGZPJMESA-N 436.468 2.077 30 10 IEEE COC(=O)[C@@H]1CCc2sc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)nc2C1 1625780326 CREBBEUILYINGA-CQSZACIVSA-N 426.502 2.042 30 10 IEEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)NCc1ccco1 1626297738 AYEAAULBDFWAMY-XAXZJEFASA-N 430.505 2.187 30 10 IEEE C=CCc1ccc(OCC(=O)N(C)CC(=O)N2CCC(C(=O)OCC)CC2)c(OC)c1 1627647233 VUUFPIUCFRQVHS-UHFFFAOYSA-N 432.517 2.063 30 10 IEEE C=CCn1cc2ccc(NC(=O)N(C)CCN(C)c3ccc(S(N)(=O)=O)cc3)cc2n1 1627664403 NOKPEKAAMTXEJR-UHFFFAOYSA-N 442.545 2.470 30 10 IEEE Cc1ccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1627934462 KHXZHUVYORSHGC-FQEVSTJZSA-N 427.398 2.146 30 10 IEEE C=CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1628375428 LQALCIVSBAJHLS-KRWDZBQOSA-N 441.619 2.054 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1632646405 POTSKLJCDSOGLO-HOTGVXAUSA-N 437.537 2.188 30 10 IEEE COC(=O)[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1ccc(OC)c(O)c1 1634459177 IEOGKHCKKZFTOK-SFHVURJKSA-N 449.257 2.444 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3cccc(NC(C)=O)c3C2)s1 1635501327 FDEVJHAOONQSEK-UHFFFAOYSA-N 433.555 2.298 30 10 IEEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1 1636915959 NQNXCLGVQVAWAF-UHFFFAOYSA-N 443.344 2.117 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)C2)c(=O)nc1O 1637513231 LOJYJVKXELQGQC-UHFFFAOYSA-N 445.357 2.007 30 10 IEEE COc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1OC(F)F 1639963479 YQVDYGZKUFVQIB-MRXNPFEDSA-N 433.411 2.090 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(CCc3ccc(OC)cc3)C2=O)c1 1640743398 ZCAORJGMTISNRK-XMMPIXPASA-N 448.479 2.268 30 10 IEEE N#CCc1cccc(NC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 1643507690 ZDHARXYEQLSQIH-UHFFFAOYSA-N 444.513 2.396 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1662073100 WVOUAFBNNROXJZ-ZBFHGGJFSA-N 429.336 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1673303829 MSCYZUICUQRSON-XLIONFOSSA-N 437.562 2.373 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)c(F)c1 1674630944 LLJUPNMDTRISIL-IBGZPJMESA-N 428.489 2.199 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2OC)C1 1684082515 CRIHVZKXCLTUAP-YJBOKZPZSA-N 438.366 2.006 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1689833332 ICBGMXYRCGPRCW-RZQQEMMASA-N 444.532 2.480 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1689988790 WJSYJZOFIRCHFW-SQNIBIBYSA-N 428.562 2.188 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690167746 ORKGCSUKUZWCMS-NRFANRHFSA-N 439.633 2.311 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1690207967 SPYLBIQITJWLFL-JOCHJYFZSA-N 439.470 2.292 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1690321654 IDBRLRJPROVKOH-MSOLQXFVSA-N 445.589 2.485 30 10 IEEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c(C)o1 1692958568 IFRHZGZBOZZYJO-JOTOCRJQSA-N 435.550 2.036 30 10 IEEE CO[C@H](CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(F)(F)F 1697141638 KZIXZXUWZODGMT-RKVPGOIHSA-N 447.458 2.015 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1697758187 XHSXUNULDGCFTI-IBGZPJMESA-N 445.483 2.013 30 10 IEEE COCCOCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1698216676 RSNWQKSVYJUEHS-GUDVDZBRSA-N 435.569 2.369 30 10 IEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1698495299 MZPRPJNYMWRZBP-INIZCTEOSA-N 434.953 2.407 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705661873 KSLZEIVRWWJKSI-HOTGVXAUSA-N 432.550 2.233 30 10 IEEE C#CCSCCn1c(CCc2ccccc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705663274 BXUJPPXPQVCLDQ-FQEVSTJZSA-N 442.610 2.056 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1705665104 JXVUNXKNJBEAHK-AVRDEDQJSA-N 449.621 2.038 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](OC)C1 1705829816 CJVBBHGHOQWTDO-IBGZPJMESA-N 427.553 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)C1 1705916972 PIFBKOXMNONQQG-MGPUTAFESA-N 434.566 2.174 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCOC2)C1 1705919992 OCZDSDCLJAKDMH-FUHWJXTLSA-N 432.546 2.166 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1706669600 QYJYSAUAXPGFSH-QFIPXVFZSA-N 432.569 2.317 30 10 IEEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1710326558 BGDMQLSIYKOGAT-GCJKJVERSA-N 426.496 2.412 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNc1ccccn1 1712013039 SNNSZZLQIPIVDN-GOSISDBHSA-N 449.515 2.492 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCc1ccco1 1712524540 FNPAZOXLKXKWDN-MRXNPFEDSA-N 430.509 2.042 30 10 IEEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1712817136 JMANKYLOGSJFSQ-UHFFFAOYSA-N 434.591 2.042 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)NC 1722390299 QCXCZOKIXSUCFG-UHFFFAOYSA-N 432.297 2.446 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1722422385 RFBGBRKNVXMMQJ-AUSIDOKSSA-N 427.524 2.018 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CSC)cc1 1722428865 KZSGAMINKXXHCM-IBGZPJMESA-N 448.614 2.178 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCS1(=O)=O 1722430280 DAFYAUWGFBUDOW-UHFFFAOYSA-N 440.529 2.095 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C(C)C)C(C)C)CC1 1722439600 ILJLPRBPMUQXTQ-UHFFFAOYSA-N 448.619 2.391 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2(OC)CCC2)CC1 1722447491 IQQQNQYBUIKUFY-LJQANCHMSA-N 429.565 2.097 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1722499330 AUCRMRISTUFBCP-INIZCTEOSA-N 425.599 2.498 30 10 IEEE CC[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1727283918 LIIKLUIEOZRLJT-YYIAUSFCSA-N 434.541 2.203 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2nnn(C)n2)cc1Br 1730045584 IASAQYXRXKKOTO-LLVKDONJSA-N 446.313 2.026 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOCC1(C)C 1730941479 FFSAZTSNGXEQDK-OALUTQOASA-N 446.596 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740531530 NWWGMRULVSHJRT-CABCVRRESA-N 427.509 2.297 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1740567826 QHBNLPHDJWOFRM-UHFFFAOYSA-N 428.356 2.320 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)cc1 1740649136 ONYBWWQRIJBFKG-MRXNPFEDSA-N 433.965 2.247 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1740951351 WBWIQTBOFBZVGZ-LJQANCHMSA-N 440.548 2.459 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1740958558 QMRGVUPYGSQFQG-AVRDEDQJSA-N 429.496 2.059 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1741001875 DJGQKBIWHUPCHE-BBWFWOEESA-N 443.639 2.013 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1741801958 IIIVRQJNTMYMBQ-SJLPKXTDSA-N 435.507 2.486 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)cs1 1742578577 UTTIJZVYYPSJSI-FQEVSTJZSA-N 431.541 2.382 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)C1 1746536703 HMJTYGZBSRDKNI-INIZCTEOSA-N 438.504 2.380 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)cc1OC 1748855654 GGYAOOLFHIIZLH-UHFFFAOYSA-N 449.536 2.408 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCN(CCOC)C(=O)C2)nnc1C(C)(C)C 1749690014 QCHHGMOCQOWOMH-UHFFFAOYSA-N 427.549 2.484 30 10 IEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1750648592 GVFIQPOQRVYQKN-FQEVSTJZSA-N 442.589 2.030 30 10 IEEE CC[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1752530805 GNWKEHJBHKYNJN-ZOCZFRKYSA-N 436.557 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC 1760220014 VIZYYURTHCIITR-GOSISDBHSA-N 431.537 2.086 30 10 IEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCC=C)CC1 1760261725 VUCZIHTYSODUHS-UHFFFAOYSA-N 447.631 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([S@](C)=O)CCC2)CC1 1760269343 FUWHZDPZLCZGHC-PMERELPUSA-N 433.622 2.134 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCO1 1760302830 RFFWPLCXMDKABB-MRXNPFEDSA-N 445.325 2.445 30 10 IEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(N)=O)C1 1760309012 YXSKICYEVUHYOM-NSHDSACASA-N 426.265 2.367 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)C)CC1 1760314813 ZIFMVVRNAMJMJE-QUCCMNQESA-N 430.597 2.462 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760449336 HNGMGGHAXHQWJG-GJZGRUSLSA-N 431.459 2.370 30 10 IEEE C=CCCOCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760451182 BIGPKXAPSCIEFV-WOJBJXKFSA-N 432.613 2.060 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1760499144 PMPJPSZFLBXMHV-YADARESESA-N 439.560 2.176 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(C)C)CC1 1760528040 QBWONYMYZBJPJA-UHFFFAOYSA-N 430.528 2.076 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@](=O)C(C)(C)C)C1 1760545034 MGBGAZZWTIMIQY-QLCIJSRNSA-N 449.577 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1Cc2ccccc2O[C@H](C)C1 1760555477 GNORBOZIRAXGQV-AEFFLSMTSA-N 432.546 2.170 30 10 IEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(=O)OC)C1 1760567587 GQHHEMFFSHYINL-MRXNPFEDSA-N 426.546 2.435 30 10 IEEE CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1762131183 HEEKQJDSOLWREQ-UHFFFAOYSA-N 449.563 2.477 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1763081559 IDCCSVNLRKRFCE-DSGGYQJVSA-N 449.540 2.285 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H]1CCOC1 1763743286 YBDVEVNBQYKJEF-SJLPKXTDSA-N 426.569 2.458 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CC1 1764552884 ACTBNCUQKWGYNU-ZQHDKMAOSA-N 429.546 2.059 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1765432893 CIDKYPAZQSBGRO-JKSUJKDBSA-N 448.369 2.259 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(F)(F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1768875384 UNUWUYMVBWTFFB-ZPHPHTNESA-N 444.442 2.326 30 10 IEEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1)OC 1769247795 QBYPHYNNHVBLPM-QGZVFWFLSA-N 438.488 2.175 30 10 IEEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CCC1 1769323713 FEHHWQGTXBZXHY-MRXNPFEDSA-N 446.577 2.213 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCOCCCO)C[C@H]1c1ccccc1 1771544033 HVBSVBUWPFMZBJ-YADHBBJMSA-N 432.528 2.406 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCCCO1 1772660215 XFKCCJKZNHUYHJ-QGZVFWFLSA-N 448.545 2.280 30 10 IEEE COc1ccc(-n2nnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C)cc1Cl 1850575657 DXOAFWBXXXBPJF-UHFFFAOYSA-N 437.891 2.467 30 10 IEEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCCN(C2CCS(=O)(=O)CC2)CC1 1851276910 VCPWBNDVXCSFDJ-UHFFFAOYSA-N 440.997 2.287 30 10 IEEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(CCNC(=O)N=c2cc[nH]cc2)CC1 1851830128 KJGQJPBOMUSQAH-UHFFFAOYSA-N 427.512 2.381 30 10 IEEE CCCN(C(=O)[C@@H](N1CCS(=O)(=O)CC1)C(C)(C)C)c1nc(C)c(C(C)=O)cc1C#N 1852052071 POYDHYPKVFQRLM-LJQANCHMSA-N 448.589 2.352 30 10 IEEE CC1(C)C(=O)N(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CCN1CCC#N 1855895686 KKSHRUMWDIXIGV-UHFFFAOYSA-N 425.938 2.257 30 10 IEEE COc1ccc2sc(N3CC(C(=O)N4CCN([C@H](C)CCC#N)CC4=O)C3)nc2c1 1856407526 HGJMVICXFGILFT-CQSZACIVSA-N 427.530 2.104 30 10 IEEE C[C@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C(=O)C1(C)C 1856754619 GLGJGWTVFQUKHK-CQSZACIVSA-N 425.938 2.255 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@@H]1CCCN(C)C1 1862005362 ZQVIJOSTHHRDNK-IRLDBZIGSA-N 427.545 2.182 30 10 IEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862483814 IXHYDZKOJVAGKA-IBGZPJMESA-N 440.408 2.245 30 10 IEEE CCOC(=O)CCN(C)C(=O)C(C)(C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868795976 PKHOFDJSOYWAAT-KRWDZBQOSA-N 448.589 2.331 30 10 IEEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CSCCO 1870241106 NPFPSALJXFWWBP-UHFFFAOYSA-N 428.510 2.325 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871513445 AHZDDYDEQPOFHS-UHFFFAOYSA-N 443.983 2.343 30 10 IEEE C[C@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)n1nc(-c2ccccc2)ccc1=O 1891416508 ZDCWJQLCKTWDMI-AEFFLSMTSA-N 430.468 2.203 30 10 IEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC(C#N)CC2)cc1 1892337647 PKIOQRQGXDYQHK-SFHVURJKSA-N 434.518 2.170 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 1992857989 KXIAXQZXANAHEX-FZKCQIBNSA-N 427.542 2.236 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2023134659 QXEWYQWPCOAQOT-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)NC12CC(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2060637961 QILZIMZEJFKJOB-UHFFFAOYSA-N 430.314 2.162 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060640588 WRMRGTRGJPWRLL-FIDHJVLJSA-N 436.358 2.467 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCn1ncc(Br)n1 2124454265 QDZFWUXOCNZYKR-LBPRGKRZSA-N 429.319 2.134 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cc(Br)ccc1C#N 2141249018 UDSWDEGCKZCORJ-LBPRGKRZSA-N 425.283 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678006 LEOHWJYZBCYITN-IVZQSRNASA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2255597054 OMYIXHUMOMDVIM-HNNXBMFYSA-N 434.346 2.132 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255645718 JMGQNHAEJMXZDI-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255823391 UQWLITRKTQCZCJ-IBGZPJMESA-N 427.354 2.379 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851553 RWRMUBRGJGDSPO-NEPJUHHUSA-N 430.232 2.108 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139119 BLNINEZEYXYNQP-LSDHHAIUSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267264335 QJGRJSGUYGRUHA-JOCHJYFZSA-N 449.332 2.460 30 10 IEEE CC1(C)OB(c2cnccc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2267487244 NXONYGTUGYUKBQ-IBGZPJMESA-N 437.349 2.012 30 10 IEEE Cn1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267501619 AHTUKIZGZIRGBS-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE C[C@H](NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268652351 GEHIYHBVBKOQII-MPGHIAIKSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@H](N)C#Cc2cccc(Br)c2)C1 2278729361 CBUKRIDCYPLBDC-IKGGRYGDSA-N 425.323 2.125 30 10 IEEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282835449 UZSJXAIWQGDNTA-JUTIIYIPSA-N 441.833 2.088 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2296221432 IPFRHUJZKFJBBU-KSZLIROESA-N 439.350 2.385 30 10 IEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315532180 HORSTWRWEKJASE-CQSZACIVSA-N 436.362 2.143 30 10 IEEE NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330566859 JMJHGKBBQQZTIP-UHFFFAOYSA-N 446.470 2.146 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2336392746 SISCNXXKIDTZRF-AWEZNQCLSA-N 446.357 2.086 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337199425 VIMGRXKZXWJQLY-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC(=NO)C[C@H]1C2 2364190098 JFEWJXVMJDEWNO-DOTOQJQBSA-N 433.530 2.487 30 10 IEEE COc1ccccc1CNC(=O)CSc1n[nH]c(N/N=C/c2cccc(OC)c2O)n1 20274863 CMLNENLKFDVLES-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H](c2cccnc2)/C1=C(/O)c1ccc(Cl)cc1 102691368 ZJQUMZQFHQLJBN-JNVCUCAMSA-N 432.885 2.344 30 10 IEEE CCOC(=O)C1CCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@@H]3[C@@H]2CC=CCC2)CC1 256032357 CEUYQNANZWNWGD-BMFZPTHFSA-N 425.489 2.493 30 10 IEEE C[C@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)n1cnc(C#N)n1 409775077 QAKRIJNVZHQHNG-CWTRNNRKSA-N 445.451 2.298 30 10 IEEE COc1ccccc1CN(CCO)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443350167 IEWVDCGKJCHUFO-UHFFFAOYSA-N 437.374 2.425 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460938392 QANNUGPNZJUNAV-IBGZPJMESA-N 431.562 2.296 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CC1 484204028 RJZSTTURQVAIQE-UHFFFAOYSA-N 431.540 2.240 30 10 IEEE COc1cc(-c2noc(CN3CCN(c4ncccc4C#N)CC3)n2)cc(OC)c1OC 487421393 OTDDDNUESZDIOA-UHFFFAOYSA-N 436.472 2.351 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(c4nccc(OCC)n4)CC3)cc2C1=O 489233226 NXPUCWIJPPSKJN-UHFFFAOYSA-N 435.484 2.010 30 10 IEEE C=CCNC(=O)c1ccc(N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)nc1 492937975 WASLLGJEPGLFMW-UHFFFAOYSA-N 426.517 2.345 30 10 IEEE N#CCC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 503631004 WVPKGBGJOFRODC-UHFFFAOYSA-N 436.434 2.142 30 10 IEEE COc1cc([C@H](C#N)NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc(OC)c1OC 505520888 SESKLAFTVAHXQJ-HNNXBMFYSA-N 428.836 2.336 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4ccc(F)c(C#N)c4)CC3)C2=O)n(C)n1 506423403 XRBAUVCHDBIONH-IBGZPJMESA-N 439.495 2.084 30 10 IEEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 508907308 LZDSOHRYJGRSBP-UHFFFAOYSA-N 434.544 2.281 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3CC2)c1 511779174 FUHOIDMQKKQZLZ-UHFFFAOYSA-N 430.526 2.409 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 531649596 VMFPROGTMUFHQA-UHFFFAOYSA-N 438.494 2.116 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCCO1 533885286 UJSQROOSXIBITC-OAHLLOKOSA-N 439.562 2.284 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)CC2)n1 544835093 WJOZWDGYPPUDAF-UHFFFAOYSA-N 431.540 2.473 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1Br 549239386 ZIBPADYKIUMFJT-XJKSGUPXSA-N 429.336 2.167 30 10 IEEE C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 558473180 WTDJICQXODGTIB-INIZCTEOSA-N 446.960 2.395 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H]2CCOC2)n1 563543177 CCVGJJJLENVNRI-SFHVURJKSA-N 430.516 2.278 30 10 IEEE COc1cccc([C@@H]2[C@@H](NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)CCN2C2CC2)c1 563757655 UGLVUEOAWCLQJM-LEWJYISDSA-N 437.548 2.424 30 10 IEEE Cc1nc(C2(NC(=O)C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CCCC2)no1 569652738 FWWFEOXMMQUKJU-UHFFFAOYSA-N 439.863 2.613 30 10 IEEE C=CCOc1ccc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1OC 589968384 OLVNDZDTSSVGQB-UHFFFAOYSA-N 445.541 2.131 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 592966949 NNEIWSWNMJSEBP-HNNXBMFYSA-N 425.485 2.306 30 10 IEEE N#Cc1ccc(Br)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703964919 CUTFFTFQNXRJSF-UHFFFAOYSA-N 434.271 2.359 30 10 IEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ncc(Br)cc1C(N)=NO 711770818 GXFBKNYATCNGNU-LJQANCHMSA-N 434.338 2.012 30 10 IEEE COCCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717221 HNQXMMAZRXIHJO-MRXNPFEDSA-N 447.492 2.239 30 10 IEEE C[C@@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)Nc1ccccc1C#N 744894977 NKPPVDXCOUKFLI-SNVBAGLBSA-N 427.360 2.431 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccc(OC)c(C#N)c2)C1=O 746523353 STJJGFDERGFDQP-KYVIQDPYSA-N 437.525 2.141 30 10 IEEE COc1ccc(CNC(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1C#N 746776021 VKYKZISRFJRNJB-UHFFFAOYSA-N 432.484 2.243 30 10 IEEE N#C[C@@H]1CN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@H]2CCCCO2)CCO1 752852802 RBCMUVJTVRDGMT-RTBURBONSA-N 440.504 2.002 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(C)c(=O)c3ccccc23)c1 758162972 XOLMKYPVYOTJFS-UHFFFAOYSA-N 429.476 2.025 30 10 IEEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC=CC2)c1 759697621 RLKWPDXOIRMFRK-IBGZPJMESA-N 446.573 2.422 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)CC1 771963600 OICHORFOFAYHTM-LTGZKZEYSA-N 435.524 2.388 30 10 IEEE C#CCN(C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 774211015 UOFBZXJYYQXQCV-KNIMUDFMSA-N 432.542 2.097 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 774261412 IJIABRLSQXKIBT-QGTPRVQTSA-N 427.929 2.056 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(I)cc(C(=O)OC)c1)[C@@H]1CCCO1 775689155 DRJHIMRVWNIEAX-KGLIPLIRSA-N 428.226 2.380 30 10 IEEE CN1[C@H]2CC[C@H]1CC(N1CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)CC1)C2 779342786 SPFGLZDSAKQVMA-ZJOUEHCJSA-N 430.556 2.466 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2cccc(I)c2)cc1 780215978 XBSATFMCBKBEPF-INIZCTEOSA-N 436.205 2.378 30 10 IEEE COc1ccc(C(=O)CCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c(OC)c1OC 784872325 OUGSYZJCUNASFI-UHFFFAOYSA-N 446.481 2.361 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1C#N 804119864 LNTISYAJJSFRKI-QGZVFWFLSA-N 442.903 2.240 30 10 IEEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812202290 AMIVQFGRBQSLMR-QUCCMNQESA-N 444.557 2.008 30 10 IEEE Cc1ccoc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 813564294 YASJKWKIZLBHFO-FOFUNRBPSA-N 443.573 2.094 30 10 IEEE CC(C)N1CC[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H](c2cnn(C)c2)C1 849518954 UAXXMMNWGGTZGR-FCHUYYIVSA-N 435.576 2.286 30 10 IEEE Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)nc1 858043826 ZOFDBJBYGPRIEC-OALUTQOASA-N 425.558 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)n2C)C1 1116923353 VNXIKIJMQAKYJL-GOSISDBHSA-N 431.562 2.438 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CCOCC3)C3CC3)CC2)cc1 1130457813 BVPBUTSEJXVBDU-NRFANRHFSA-N 431.558 2.280 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)N4CCCCC4)CC3)CC2=O)cc1Cl 1141326145 HBTRVQOWZOEHMQ-KRWDZBQOSA-N 443.935 2.315 30 10 IEEE C=CCc1cc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc(OC)c1OC 1155823182 MBWYCEXOMDEUNN-UHFFFAOYSA-N 427.379 2.187 30 10 IEEE CC(C)C[C@H]1CN(C)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1178757056 KBRBJZIRVGWOLP-SFHVURJKSA-N 434.606 2.474 30 10 IEEE C#CCN1CCC[C@H](NC(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1 1228535762 AMXJSWVFAUJNCT-SFHVURJKSA-N 442.541 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1286272217 AADFMRUBWIDTCM-LSDHHAIUSA-N 435.370 2.225 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1286310729 GKYCDVRMDCKUNS-KDURUIRLSA-N 438.576 2.396 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1286314516 PXKNOLVOSASBRU-SFHVURJKSA-N 436.626 2.147 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1286448362 SLQSEVMWSNJWLU-MGPUTAFESA-N 436.965 2.201 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286504149 ORIOTGYVXWHDIU-UHFFFAOYSA-N 447.568 2.125 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCS(=O)(=O)N1CCSCC1 1286516471 GYQUEYODCVWCRX-VQIMIIECSA-N 425.624 2.162 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1 1286773795 SEGVDBXNKACFIQ-ZBFHGGJFSA-N 439.607 2.388 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286818560 YCPBKGNIKCLJKF-UHFFFAOYSA-N 441.495 2.025 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc2n(n1)CCN(C)C2 1288136382 WCAMJQVYUZGJQZ-UHFFFAOYSA-N 434.294 2.379 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCSC[C@H]1C(=O)OC 1288878848 DSMXRIGELNGAOE-ZDUSSCGKSA-N 443.319 2.215 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc(C3CCCCC3)cc2C(=O)OC)C1=O 1289179751 YNUNRZZXWWESMU-UHFFFAOYSA-N 433.486 2.498 30 10 IEEE O=C(c1ccc(-n2cnnn2)cn1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1289424811 QADTYXFXSVWVLZ-IUCAKERBSA-N 442.270 2.300 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1nccc(C(F)(F)F)n1 1293003377 ADOBJCKNJYHLEW-UHFFFAOYSA-N 444.421 2.427 30 10 IEEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293272364 LUINSMKYZQRQMK-KTBSYUBASA-N 428.537 2.323 30 10 IEEE C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cccc(Br)c2C#N)C1=O 1296102098 OBGNLHMMJMKGBY-LJQANCHMSA-N 443.257 2.198 30 10 IEEE CCN1CCN(CCCCn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296203094 LHSOUDXIZXTWMK-NRFANRHFSA-N 429.613 2.157 30 10 IEEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1297380306 VRMIJMRDNCPEED-UHFFFAOYSA-N 429.533 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1CC 1300561424 QXYMWGJNMRTIMA-UHFFFAOYSA-N 449.515 2.094 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)nn1C 1300603650 VNJUPMXOPZXJLR-UHFFFAOYSA-N 440.577 2.096 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCCNC(=O)OC(C)(C)C)CC1 1300711050 RQUXFMKCOBNALF-GOSISDBHSA-N 432.569 2.190 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1302882600 KFECGBWPHGLVKG-MWFYHVDJSA-N 440.479 2.224 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1302969329 DYRKNYJCKUEBHJ-FCHUYYIVSA-N 438.576 2.210 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCOCC(F)F)cc1 1302988908 DFGYPSBRISWWNZ-KRWDZBQOSA-N 430.459 2.300 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1303000744 JILBMLUNOFZJQB-SJORKVTESA-N 442.486 2.175 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1conc1COC 1305988782 NOCHAHBIDODOFD-SFHVURJKSA-N 438.488 2.331 30 10 IEEE COC(=O)N1CCC(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1315115687 KPTMSDPHPDVTNI-HTAPYJJXSA-N 448.568 2.393 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@@H]1C 1316101912 QHVGNJSLQGBDSO-HOTGVXAUSA-N 430.509 2.045 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)OC 1316293858 LATQNBPFVOXEQQ-CUWPLCDZSA-N 440.548 2.235 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CC2=O)cc1 1353332065 GAPTYGLBKQQYTP-NZQKXSOJSA-N 445.523 2.234 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1358875228 LGGHZPJEDUZPMN-KSSFIOAISA-N 437.342 2.047 30 10 IEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1358916365 JIHBFYQHEDGZHH-UHFFFAOYSA-N 425.533 2.264 30 10 IEEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1359013999 TWALJABYXOEIEJ-QGZVFWFLSA-N 432.546 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)OC(C)(C)C)CC1 1359041122 NXKBYCCDUDSSJT-UHFFFAOYSA-N 432.569 2.066 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC#C)Cc1ccc(F)cc1 1359057368 YCPJLUGPGZAPBR-SFHVURJKSA-N 446.573 2.326 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCOCC2)C1 1359135576 IFUMPOHCKDVPPZ-UHFFFAOYSA-N 430.553 2.118 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1359213805 HSMNQHOSOBOBET-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359294058 IYTATCSNBDOSNV-SJLPKXTDSA-N 426.477 2.161 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCCC2=O)C1 1359312052 MRDOHFDRHRDIQZ-IBGZPJMESA-N 444.580 2.088 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1359318993 QJKNWXFJQPKZJR-NVXWUHKLSA-N 439.486 2.344 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359473835 JDPUUWFEOKKCJK-OAGGEKHMSA-N 430.475 2.031 30 10 IEEE C[C@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)Oc2ccccc2NC1=O 1441141426 ZFJWPDVUAJLTAC-HSZRJFAPSA-N 430.468 2.165 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N(CC#N)c2ccccn2)C1=O 1461245329 GFMXIZQZDIRBRB-LJQANCHMSA-N 442.273 2.168 30 10 IEEE Cc1cccc(CN2CCO[C@H](CNC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)c1 1462239166 VRWFOTAYGLOFMS-OAQYLSRUSA-N 437.544 2.397 30 10 IEEE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 1468372124 BLSXADDSIJIEMJ-LJQANCHMSA-N 431.514 2.402 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)n[nH]2)c1C 1469689977 CSJHZHOJGRIKMT-HNNXBMFYSA-N 445.520 2.469 30 10 IEEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)C1 1471607285 VECJFZZSLFRNFO-UHFFFAOYSA-N 429.311 2.421 30 10 IEEE C[C@H](NC(=O)CN(CCC#N)CCN1CCOCC1)c1ccc(OC(F)(F)F)cc1 1473202888 ASUNLMQYDVJMSU-INIZCTEOSA-N 428.455 2.310 30 10 IEEE Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1492567290 BLSFPNHXFMOHIX-UHFFFAOYSA-N 440.529 2.238 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1505321988 GQSJKGAGCJXVEH-GJZGRUSLSA-N 435.937 2.295 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCN2CCCC2)c1 1507551417 DTMZORCCIOCSTL-UHFFFAOYSA-N 443.555 2.416 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CC=CCC2)C1 1507588374 LFJOPGUVEZZIED-SIKLNZKXSA-N 447.605 2.351 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1507604860 ITBUXQHSXVYOAV-IBGZPJMESA-N 433.516 2.306 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(S(=O)(=O)NC)c1 1507608520 KDDUTWBFUTUDEC-UHFFFAOYSA-N 430.921 2.019 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CCC)C1 1507664946 REPMADKAGIMKKI-HXUWFJFHSA-N 443.559 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1NC(=O)CC1(C)C 1507704297 WQCAHIADMGXCNS-FQEVSTJZSA-N 447.543 2.336 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2CCOCC2)n1 1507717826 ZKUQFSAGBWXWSB-NRFANRHFSA-N 442.564 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccn(CC)c2=O)CC1 1507740172 YCIZGFGFBXIDIR-UHFFFAOYSA-N 436.560 2.131 30 10 IEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507959159 ILTVZBOCXLAFMA-UHFFFAOYSA-N 447.543 2.358 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1508091608 VPVRTYHKWWJWOV-RTWAWAEBSA-N 438.576 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(CC(=O)N(C)C)CC1 1508130667 IRLPUJQUECYIAU-INIZCTEOSA-N 425.599 2.087 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1511855423 SNLCNGIQTMZBLT-UHFFFAOYSA-N 432.488 2.263 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)CC1 1517720899 JZFSHVOSBVEATK-UHFFFAOYSA-N 442.520 2.170 30 10 IEEE CN1CCN(c2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cn2)CC1 1524108217 HYZGJGJHLIJVGZ-UHFFFAOYSA-N 430.306 2.485 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)ccc1F 1532326100 CQCADDWYJNSXQR-UHFFFAOYSA-N 425.526 2.105 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)C2=O)cc1 1538383030 AYFRCENPMKXOES-SIKLNZKXSA-N 448.498 2.400 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1539202398 HUCZKIMXSJQHRY-SFHVURJKSA-N 445.545 2.255 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539223063 ZBQNZZHUIVODHZ-UXHICEINSA-N 449.621 2.022 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccco1)N(C)C 1539299572 KSYJDQBKKNMYQH-CVDCTZTESA-N 425.533 2.289 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCC(=O)N1CCOCC1 1539390591 RWPWZGGNAHTVFH-UHFFFAOYSA-N 448.502 2.368 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C(C)C)CC1 1539872070 XWUDNPUQZUSDBY-UHFFFAOYSA-N 425.537 2.490 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539915885 FRYJLNUXRZYIEO-IVZQSRNASA-N 430.553 2.199 30 10 IEEE CC1(C)CCc2onc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2C1 1540647870 LWGGXUSNRURIIB-UHFFFAOYSA-N 428.514 2.208 30 10 IEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1541284937 VYEDJIGLJNNXAT-IBGZPJMESA-N 432.532 2.316 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1541798142 CIIZADYWDKTUBU-QVKFZJNVSA-N 446.939 2.405 30 10 IEEE C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1544944265 YANAJIVNNUMQEL-MJWGMMHASA-N 430.553 2.397 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)cc1 1554873548 VKQGHEJVBUWYMZ-YLJYHZDGSA-N 427.505 2.126 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 1556769989 AMGXSKGYXRLOSL-HNNXBMFYSA-N 435.509 2.200 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1558013941 IUECCFPYLYZARN-UHFFFAOYSA-N 425.452 2.438 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCC(OC(F)F)CC3)CC2)cc1 1564769683 XNBFSLPKWMUMBE-UHFFFAOYSA-N 442.488 2.125 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 1564819208 FHYOVCKLKAFNAA-YJBOKZPZSA-N 430.480 2.366 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H]1C 1587990262 UTCIHWWCZAJJDJ-ROUUACIJSA-N 432.569 2.140 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCO[C@@H]1C 1588011937 PDOUHMXEYAHLRF-AUUYWEPGSA-N 435.322 2.229 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CCOCC1 1588120326 KXWQXJNPSIKDMD-UHFFFAOYSA-N 428.540 2.237 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccnc2OCCOC)CC1 1588768415 FSLAJHPMZSPNAY-UHFFFAOYSA-N 436.516 2.070 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1589514985 KMFWGJSQLFYXFF-IEBWSBKVSA-N 431.562 2.335 30 10 IEEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1593879326 QEXMFCVAQBUDNP-KRWDZBQOSA-N 439.004 2.351 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1594867672 OMLIKTQVIUBTQZ-JOCHJYFZSA-N 431.512 2.430 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1595156146 GVALTJMNJPGKQC-JKSUJKDBSA-N 428.562 2.398 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1595545270 UKRHWXCMOVWDPZ-TZIWHRDSSA-N 438.576 2.185 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1595593543 FSRIYDSBQJZCPT-MRXNPFEDSA-N 448.980 2.241 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595866327 GNIAQWBJRBWROH-UHFFFAOYSA-N 443.621 2.327 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c1 1596135191 QVJWYWSOTITROZ-SJLPKXTDSA-N 449.573 2.221 30 10 IEEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCOC1(C)C 1613021174 GPTFEUAMWBJBGB-HNNXBMFYSA-N 429.546 2.398 30 10 IEEE N#C[C@@]1(NC(=O)Cn2nc(Br)c(Br)n2)CCc2ccccc2C1 1616666109 RFMQHBJGYUQEMS-OAHLLOKOSA-N 439.111 2.371 30 10 IEEE C=CCN(C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C(C)(C)C 1617966551 FPQOCYBYFQOOPR-UHFFFAOYSA-N 433.530 2.388 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC[C@@H]1C 1619517766 SOXIKOBOOFUIDA-QFBILLFUSA-N 446.577 2.006 30 10 IEEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC#N)CC1 1620039480 AQRLIXMYGLYPGF-UHFFFAOYSA-N 441.536 2.015 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](Cn3ccnn3)C2)n(C2CCCCC2)c1C 1620436210 QYXOABFQPVLAGT-IBGZPJMESA-N 425.537 2.413 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCOCC1 1625326604 CGMOHJILVMGXFL-KRWDZBQOSA-N 443.548 2.312 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(OCC#N)c1 1625875433 CBIOGYDSOBXBGA-LJQANCHMSA-N 445.497 2.257 30 10 IEEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1627067898 IOLRALQJCPZGRB-QPPBQGQZSA-N 440.544 2.110 30 10 IEEE N#Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1Br 1634403379 OZUUZDPBFMZSDN-HUUCEWRRSA-N 426.336 2.444 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)CC1 1636475763 WKEMOFZGABMTFE-IAGOWNOFSA-N 446.598 2.182 30 10 IEEE COCCN(CC#N)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1638469837 HIMONFMVIFRVOG-HXOBKFHXSA-N 449.507 2.369 30 10 IEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)[C@H]1CCC[C@@H]1C#N 1642537522 WHWPECCWUVXECC-MJGOQNOKSA-N 447.557 2.399 30 10 IEEE C=CC[C@@H]1CCN1C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1646500710 PTNIOJAUBJTGIM-CYBMUJFWSA-N 447.326 2.400 30 10 IEEE CC(C)[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1CCN(C)CC1 1648600497 QZFJFFPGTJPSHB-NCMKUFGYSA-N 447.624 2.161 30 10 IEEE C#CCN(C(=O)c1cn(CC(=O)OC(C)(C)C)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385406 SHRTWLBAMPITRZ-UHFFFAOYSA-N 447.536 2.095 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)nnc1-c1ccco1 1651430814 SKTBQHFEIJKDRK-LSDHHAIUSA-N 436.559 2.099 30 10 IEEE C#CCN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973600 PHUOIELVAOFLEW-AWEZNQCLSA-N 431.455 2.259 30 10 IEEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCc2c(sc(N)c2C#N)C1 1656380587 BPRYGERMFGQYLR-NSHDSACASA-N 427.486 2.068 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](c3ncc(Br)cn3)C2)CC1 1660142461 QESHFZXLRWEBNU-FUHWJXTLSA-N 449.397 2.111 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)c(OC)c1 1663464132 CEUHMFXJWKQWSB-UHFFFAOYSA-N 429.498 2.301 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OCC 1663905867 VVUJEIAQIVSJIS-AWEZNQCLSA-N 432.926 2.227 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[C@@H](Oc3ccc(C#N)cn3)C1)CCS2 1676613516 BSDACVMMFPUSIP-JWRWLIQVSA-N 430.530 2.333 30 10 IEEE COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1686054960 FFAMVCPGKRZFFP-MSOLQXFVSA-N 428.489 2.300 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1689834961 COKNJBBALLUBHK-AEFFLSMTSA-N 432.546 2.002 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1690515706 RSMIIUZOTRZIIK-OAHLLOKOSA-N 431.566 2.259 30 10 IEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC 1694454061 MJDYIQYOFPWGOR-WMZOPIPTSA-N 442.520 2.431 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1696655554 ZLSSPIKPTUYVJM-UHFFFAOYSA-N 439.564 2.472 30 10 IEEE COC1(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCC1 1697220481 HNTIDVDKUKTRGO-UHFFFAOYSA-N 438.532 2.071 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1c(C)cccc1C 1698172122 VEPVLCBGLPEECQ-RBUKOAKNSA-N 429.521 2.427 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCOCC(F)(F)C(F)F)cc1 1698489354 SSROJMLOVRDFFC-UHFFFAOYSA-N 443.401 2.482 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1705523184 SUXNCYSLCMLADZ-ICSRJNTNSA-N 444.580 2.190 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1nnc(C)s1 1705580635 LZVGDVJROZRARK-UHFFFAOYSA-N 444.524 2.459 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC(=O)N(C)C)CC1 1705633772 YHXUIXYLWRFQDL-SFHVURJKSA-N 442.539 2.181 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC1CCOCC1 1705896543 QCOOHIGPSUXJLL-UHFFFAOYSA-N 428.493 2.408 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1705905126 KKFXSJZTHYEPNF-GAJHUEQPSA-N 443.523 2.085 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1705921332 PZYYRTAGQGDCLV-PRCFCKQXSA-N 444.532 2.284 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1706748719 KJAOPAWJFIRSPL-HNNXBMFYSA-N 441.536 2.393 30 10 IEEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1)C1CC1 1711539506 GEQMEPIMJXZHPM-HXUWFJFHSA-N 437.548 2.040 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)CCCO2 1722427038 DLFWYDQAIFUKFE-UNMCSNQZSA-N 440.544 2.461 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCCOC)CC1 1722434055 LFNJXABLRINKPI-UHFFFAOYSA-N 448.365 2.126 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1722680072 VYWGYYODDUCPAQ-AWEZNQCLSA-N 435.326 2.074 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@@H](C)c1nccs1 1722727635 NNWCVIFMXKPSTH-CQSZACIVSA-N 433.563 2.032 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1722739027 RYQYWFXTDWQULE-QGZVFWFLSA-N 428.624 2.352 30 10 IEEE CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1723207636 FFPKDELSIJDVON-GOSISDBHSA-N 446.577 2.150 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC(C)(C)O1 1726670812 HBTJKCIRQAXCRG-OAHLLOKOSA-N 429.546 2.398 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1728172394 PNZVLHLKIYBVRO-CYFREDJKSA-N 449.559 2.038 30 10 IEEE COCCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)CC1=O 1730800512 LIUDSJIJMNOSOA-UHFFFAOYSA-N 448.527 2.261 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](OC)c1ccc(F)cc1 1730876272 NKPRNVGOEBPQQH-ATZDWAIDSA-N 433.484 2.258 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1740567243 OZBSIWKKYXCOKN-UHFFFAOYSA-N 445.531 2.154 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740586118 PDLLCYSMHZPMBQ-KNQAVFIVSA-N 435.576 2.132 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1740662747 WWUSDDGOYZAMBU-LLVKDONJSA-N 446.396 2.220 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740706376 SYJYLQBVAWKXNZ-QHCPKHFHSA-N 425.533 2.239 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740716743 YHQPXXZDYIAXRY-PMACEKPBSA-N 438.601 2.306 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1740993939 GIASGAXHCIPHBH-HXUWFJFHSA-N 430.574 2.279 30 10 IEEE Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)s1 1742742583 FENWWLWPJITZFS-UHFFFAOYSA-N 425.518 2.146 30 10 IEEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1742812997 OIWZMWDYCHMBCN-NHCUHLMSSA-N 442.589 2.341 30 10 IEEE CCc1cnc(CCn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)s1 1744409131 AJFCQWIMCHHIJR-OAHLLOKOSA-N 437.577 2.479 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748811869 MSLQXSDRCBOINF-HXUWFJFHSA-N 436.541 2.019 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749219884 VXLNRYJTRWPDTI-PXNSSMCTSA-N 438.536 2.375 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1749219900 WOAPAZWUDVYNAI-UHFFFAOYSA-N 435.532 2.403 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1 1749597419 FYWXKAAXEUYDEY-LAUBAEHRSA-N 433.940 2.429 30 10 IEEE COCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1749667990 VQMYRKFDWDWEBT-LJQANCHMSA-N 435.529 2.107 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1749669027 BRVOUQXOGJACKD-QGZVFWFLSA-N 428.581 2.323 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1749681229 YVSABOURIMGBNK-IBGZPJMESA-N 441.463 2.469 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760119475 ACKVODSLMXUSLC-SLFFLAALSA-N 435.576 2.474 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760184942 ZLPZRSNBAUERPF-RDJZCZTQSA-N 434.587 2.332 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)cc1 1760193590 JNEYCJNTLXPBIN-UHFFFAOYSA-N 427.468 2.005 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C1CC1 1760216494 PQKAHTWEZVJZTM-HXUWFJFHSA-N 430.512 2.080 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccsc2)n1 1760252838 RSAHCJFREGQDJV-SFHVURJKSA-N 426.546 2.375 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760321216 CSOXFQWGQRFQBN-NZQKXSOJSA-N 444.624 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760325141 OIXCFVGNNCLQHE-RRPUWOKSSA-N 440.592 2.402 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)cc2)CC1 1760397547 WVBXEIXUXIKZKC-HNNXBMFYSA-N 446.577 2.297 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760436504 SMSBCNMWPRRBRB-UHFFFAOYSA-N 432.532 2.462 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1760516496 OXAIBLNICDNAOY-UHFFFAOYSA-N 428.512 2.372 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 1760535932 ZUMXWWMGPWQYGQ-PFRQMTDMSA-N 441.598 2.017 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)C1 1760543598 UOAACSITRCQEHB-SJORKVTESA-N 427.505 2.076 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760804592 HJODHPVMJAOOCQ-WKRVVKTRSA-N 440.573 2.223 30 10 IEEE Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1761761997 XIJOYWONUAECBI-ZJYNUGOYSA-N 440.504 2.377 30 10 IEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)OC(C)(C)C 1762609426 SBLMLXFNJUYZHF-UHFFFAOYSA-N 426.525 2.095 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CCCCCO 1763044641 RMLKZSOMRNHBJF-MJGOQNOKSA-N 440.552 2.059 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)N1CCOCC1 1763123197 FJAOCOJIORUHFU-UHFFFAOYSA-N 437.592 2.145 30 10 IEEE CCn1cccc(Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1=O 1766959633 HARXQFLQQJEVJE-UHFFFAOYSA-N 432.532 2.225 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2noc3c2COCC3)n1CCOC 1771100645 XQRSNJOOLRMUAI-UHFFFAOYSA-N 438.488 2.177 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1772567027 GZKRKOFXQOJZND-WOJBJXKFSA-N 441.532 2.408 30 10 IEEE COc1ccc(N(C(=O)CN2C(=O)COc3ccccc32)C(=S)N=CN(C)C)cc1 1852716003 JBBGISVZJKMEOW-UHFFFAOYSA-N 426.498 2.329 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCN(Cc3sc(C)nc3C)C3(CCCC3)C2=O)CC1=O 1853932108 MJGLYKNITHHHCV-QGZVFWFLSA-N 430.574 2.278 30 10 IEEE C[C@@H]1C(=O)N(C(=O)C2CC3(C2)CC(F)(F)C3)CCN1S(=O)(=O)c1ccccc1C#N 1855739710 CMNVCNAQPCVKKS-CYBMUJFWSA-N 437.468 2.132 30 10 IEEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1=O 1857146665 HXKRGEIXCAQMGA-QGZVFWFLSA-N 445.310 2.217 30 10 IEEE CC1(C)C(=O)N(C(=O)c2ccccc2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1 1857173247 ZCYZIQAEIGIJNK-UHFFFAOYSA-N 425.510 2.225 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCO)cc(OC)c1OC 1862602065 SXBXBVABPJTQFP-LJQANCHMSA-N 443.452 2.379 30 10 IEEE COc1ccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccccc3C#N)c(C)o2)cc1 1866675891 QAGUHZGDVMBRSB-HXUWFJFHSA-N 434.452 2.189 30 10 IEEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 1870107241 ZOARCTPVSVDZJY-LBPRGKRZSA-N 434.843 2.475 30 10 IEEE C#CCOc1cn(CCN2CCOCC2)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1871004405 CWRXDNMTLQZWEB-UHFFFAOYSA-N 426.473 2.021 30 10 IEEE CCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1/N=C/c1cnc(N(C)C)nc1 1873499619 FPLKBSCMIGUAMV-FSJBWODESA-N 440.533 2.318 30 10 IEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873594506 UVNJCCLEJJNXIM-HDICACEKSA-N 426.565 2.162 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)CC1 1890409679 PWBJCAHQTFYHKU-UHFFFAOYSA-N 444.576 2.358 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2009972817 SCKJAFRNVRLNHJ-CABCVRRESA-N 441.525 2.378 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1 2010231740 PVSGKSLSGRSSKX-HYBUGGRVSA-N 429.561 2.436 30 10 IEEE N#CC1(CS(=O)(=O)NC2CC3(C2)[C@@H](NC(=O)OCc2ccccc2)C3(F)F)CC1 2142147325 VRKOGZRVRNAIHY-SWKXRBFHSA-N 425.457 2.302 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 2247566963 LXQBVUGTDZTTKU-WLBKGHODSA-N 427.545 2.310 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248406478 YTZAVMDIENMIOB-CYBMUJFWSA-N 437.371 2.458 30 10 IEEE CN(Cc1ccccc1)S(=O)(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2248479740 WGHYGZSQAVJROP-UHFFFAOYSA-N 430.379 2.495 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255681126 PMLVPPDMJALJRY-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2258956224 CUXVPISIDQKXHM-SJORKVTESA-N 436.358 2.305 30 10 IEEE Cc1c(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999215 LLALCITYMKEIIG-CABCVRRESA-N 448.373 2.061 30 10 IEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142687 XMMWSAMGALIPKS-KFWWJZLASA-N 446.357 2.036 30 10 IEEE CCn1cc(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267196929 HUHOHUHARXYDDJ-UHFFFAOYSA-N 448.373 2.378 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2267222311 ZCBKTYFTFCRWSD-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC(C)(C)OC(=O)NCCC1CC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267275453 OHERBEDXIZSVKK-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267503618 GNZUEUMFQLZUNE-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267701161 WFUAPGYIECLYHX-LFVRLGFBSA-N 444.337 2.431 30 10 IEEE C=C(CN(C)C(=O)[C@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268716460 NXMPNJYIWMXOSX-OAHLLOKOSA-N 447.345 2.043 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H]2COC[C@@H]21 2269003287 PGXBSMLFVXKOJZ-SJORKVTESA-N 449.332 2.344 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NCCSCCCO)cc2Cl)OC1(C)C 2282306615 PJUGWPQKYWZXPJ-UHFFFAOYSA-N 441.833 2.095 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C 2337283660 RAJHZVQUCDEGIW-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE COc1nc(N2CCC[C@H](CNC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788440 PHRMTNOWTUYSBM-CYBMUJFWSA-N 443.275 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2CCC[C@H]21 2341941265 YXACNQNSZHZHAI-JKSUJKDBSA-N 446.357 2.323 30 10 IEEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1O 20527562 BCLCQUQLXDRXDM-DNTJNYDQSA-N 444.546 2.368 30 10 IEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1 21078030 NIIXGAZBAGNCKN-KEBDBYFISA-N 426.458 2.474 30 10 IEEE C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCO4)[C@@H](C#N)C(=O)N3)C1 72472357 FJCKXHGWSDDRAR-OSDKZWGASA-N 435.484 2.247 30 10 IEEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 111046456 FOGNCPJXIKMSRD-IBGZPJMESA-N 442.516 2.166 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)c(O)c(Br)c2)CC1 436765128 BBWHVQPDGYYGOF-UHFFFAOYSA-N 431.084 2.115 30 10 IEEE C=CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCS(=O)(=O)C1 440294065 GMTWDRGAZWGQJN-HNNXBMFYSA-N 436.515 2.332 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 466883621 QTUFSOBPIJGKGK-UHFFFAOYSA-N 436.497 2.487 30 10 IEEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 472659035 ICCDVGKJUNLNKO-UHFFFAOYSA-N 435.463 2.463 30 10 IEEE CCN1CCN(c2ccccc2NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480452477 HLKNNAZYLSFZSC-KRWDZBQOSA-N 441.557 2.006 30 10 IEEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 487212891 VRDGADKRHPSPTQ-OAQYLSRUSA-N 436.560 2.158 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(CC(=O)NCCN3CCc4ccccc43)CC2)c1 502193418 HMOOOFIVQDTUAM-UHFFFAOYSA-N 431.540 2.388 30 10 IEEE CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503114134 YOWSPZGURHAJQY-OAQYLSRUSA-N 439.560 2.482 30 10 IEEE CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)c2ccccc2O1 505192710 XYATZLDMXIEXMO-IBGZPJMESA-N 426.517 2.238 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 505908525 YMDPQSGBFWHLIY-FQEVSTJZSA-N 433.512 2.305 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)Cc4cccc(C#N)c4)CC3)cccc2c1 531386401 YGFKLLWYMGPLOR-UHFFFAOYSA-N 434.521 2.491 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NCCCCN3CCN(c4ccccc4)CC3)CC2)n1 545467226 MTIBFGNIFJBAEY-UHFFFAOYSA-N 447.587 2.387 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 555265233 GJMRAXCEPVIWHQ-UHFFFAOYSA-N 436.560 2.024 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 559239407 CLDMVBQDYTTZKQ-ROUUACIJSA-N 425.489 2.155 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c(F)c1 586858979 NWWGHFPZGLUIFF-OAHLLOKOSA-N 443.866 2.239 30 10 IEEE N#C[C@]1(F)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 615664137 JGTAOGUJDONDHB-GDBMZVCRSA-N 430.299 2.066 30 10 IEEE Cn1cc([C@@H]2[C@@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C(C)(C)C)cn1 619476905 BVYAKGTXHRMPHY-SIKLNZKXSA-N 449.559 2.160 30 10 IEEE N#CCCN(CCN1CCOCC1)S(=O)(=O)/C=C\c1cccc(Br)c1 733316258 LMFKZSCWQBYAQQ-RZNTYIFUSA-N 428.352 2.297 30 10 IEEE C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735230389 KJLJVSFMGUUGOF-HXUWFJFHSA-N 437.847 2.185 30 10 IEEE CC(C)OC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CCCC2 743909210 UIKLMKJHGFRYJF-OAHLLOKOSA-N 444.557 2.329 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cnc(C2CC2)nc1 756083610 DETNLFRHVZLRPA-GOSISDBHSA-N 441.557 2.166 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](OC)C(=O)O 757276627 QMMWYDCZZWGSKQ-NHCUHLMSSA-N 436.464 2.133 30 10 IEEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 757298130 VVNKBENLOXUKGQ-IINYFYTJSA-N 449.476 2.330 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 764993480 AOUDVTPHAKPJRV-UHFFFAOYSA-N 436.533 2.226 30 10 IEEE COc1ccc(N2CCN(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 780506137 FLHHYVPZBRNXLD-QHCPKHFHSA-N 430.549 2.195 30 10 IEEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)/C=C\c1ccc(Br)cc1 780751695 PUAPEYOBPGIPKK-YHYXMXQVSA-N 438.307 2.293 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCC1CS(=O)(=O)C1 786684085 VIPWKXPUJLNHBG-QGZVFWFLSA-N 435.571 2.030 30 10 IEEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCCCO2 789968879 RTKPHEYDYHRIME-CQSZACIVSA-N 428.518 2.324 30 10 IEEE COC(=O)c1cc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c(C)cc1F 794018685 GPANYFWEHZMAEI-UHFFFAOYSA-N 429.433 2.233 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccnc2F)cn1 794448670 GETJLEMIVCQBQF-HNNXBMFYSA-N 429.477 2.425 30 10 IEEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 796780925 BRZCVYKOBXMPHH-QGZVFWFLSA-N 439.497 2.287 30 10 IEEE COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C)c1=O 797411547 YDUQBGDIIPRTEU-UHFFFAOYSA-N 439.500 2.428 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)n1 800762848 OQYFEVVUZLUFNN-QFIPXVFZSA-N 433.512 2.278 30 10 IEEE CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802633690 KZQALYYUMRPYTO-LJQANCHMSA-N 425.493 2.456 30 10 IEEE CCCN(C(=O)[C@H](C)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 803922880 WKHZTNGIKIYIBG-KBXCAEBGSA-N 436.505 2.086 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cn2c(Br)cnc2s1 815895327 NQTUNQSBSBPZJC-UHFFFAOYSA-N 425.289 2.290 30 10 IEEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775138 LPFGGHUCFKRBKJ-IBGZPJMESA-N 446.504 2.311 30 10 IEEE CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916872337 BBFRESKLGFNYGH-ICSRJNTNSA-N 431.508 2.247 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(N)=O)[C@@H](C)c2ccc(CCC)cc2)cc1 920251381 KJULRAPSEYRCMK-KRWDZBQOSA-N 441.553 2.239 30 10 IEEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(F)c1 1084364653 DXLVMNRLJUYKPQ-UHFFFAOYSA-N 430.425 2.216 30 10 IEEE C[C@H](NC(=O)CSc1nnc(NN=Cc2ccccc2[N+](=O)[O-])n1N)c1ccccc1 1084654719 VRPGEBLWAGAOEN-ZDUSSCGKSA-N 440.489 2.316 30 10 IEEE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1130841713 BDKXKCGFJQVAPJ-LIRRHRJNSA-N 431.452 2.133 30 10 IEEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)c1 1132753630 MUPQFBOUCCLPJN-UHFFFAOYSA-N 447.900 2.166 30 10 IEEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Oc2c(C)nn(CCC#N)c2C)C1=O 1134703588 YCGMTSGVPFSSNJ-JOCHJYFZSA-N 439.472 2.103 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC)(C(F)(F)F)CC2)s1 1142492937 FBSNNZOZVPSHMX-UHFFFAOYSA-N 426.482 2.325 30 10 IEEE C[C@@H](CC(=O)NC1CCC(C)(N2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1155677148 NFJRVWKKPZHYKH-YPHUNTSASA-N 432.590 2.417 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)c1 1157071511 KMJYVJQHTNHHFD-KBPBESRZSA-N 448.570 2.291 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1 1163760631 MYJJAVMEHAYMIF-CYBMUJFWSA-N 430.486 2.214 30 10 IEEE C#CC[C@H](CCOC)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1169292775 PUHXBHWJNAUGLV-AUSIDOKSSA-N 433.508 2.045 30 10 IEEE C#CCN(C(=O)NCc1ccnc(-n2cncn2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1254148089 YKZRVTITSBYSFB-UHFFFAOYSA-N 439.520 2.207 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)ccc1F 1278303349 IVMXLURJZRRXRW-IBGZPJMESA-N 431.533 2.289 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286391151 CTLBEEGJBCKZFL-RTWAWAEBSA-N 442.585 2.268 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1286403058 HLJCGLRJQIJJCS-GOSISDBHSA-N 442.541 2.002 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN(C)Cc1ccc(F)cc1 1286416414 RJLUGOSVEZZHRW-UHFFFAOYSA-N 433.535 2.484 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccccc1 1286426448 VUZUWDMCHZDDNV-XMMPIXPASA-N 431.496 2.376 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1286436951 BZJNHXCXNDMSOZ-HSZRJFAPSA-N 435.532 2.407 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1286450004 BKTRXZVDMZXKHQ-MRXNPFEDSA-N 435.525 2.052 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nnc(C)s2)CC1 1286473939 WGVDDZYLZLDUHS-UHFFFAOYSA-N 438.517 2.011 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1286594038 XWYAHVHLAYMLEO-LEWJYISDSA-N 441.576 2.310 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C)C(=O)C1)C(C)C 1286752287 YISANTXYBIDNLT-UXHICEINSA-N 430.597 2.497 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1286835844 ZKFWBWCBCRLKAI-INIZCTEOSA-N 431.562 2.452 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1288521338 ZPDMSTVMLXGEDJ-QZTJIDSGSA-N 425.537 2.190 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1288526277 ULAZTHMZBFZHPU-NJAFHUGGSA-N 428.562 2.434 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1290976551 SDDAXGIWBKHXBN-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1292703635 KRBAVQCWQWPDIB-AEFFLSMTSA-N 430.553 2.440 30 10 IEEE CN(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccsc1 1298025173 BJBSIBNAUXSMGO-ROUUACIJSA-N 448.618 2.285 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)c1ccc(Br)cc1 1298539292 RECLJOHMJCPMOO-HNNXBMFYSA-N 443.269 2.496 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1300307383 FSCWJOICRFYZAQ-DOTOQJQBSA-N 442.520 2.011 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1nc(C)no1 1300308443 OXJLYSCERPHFTL-INIZCTEOSA-N 435.536 2.234 30 10 IEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300423842 WZWZGUAMYNZPGX-KRWDZBQOSA-N 426.496 2.450 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(CC)cccc12 1300430437 MNLTUBKLKLPSDK-HNNXBMFYSA-N 428.562 2.244 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300450414 UBSQXMFTZACPDE-VQIMIIECSA-N 431.537 2.358 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(C)C 1300579383 UNHDIMNTHKFPTB-RBUKOAKNSA-N 445.614 2.008 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300666329 XBEFRNCKOGDYBP-IAGOWNOFSA-N 429.487 2.490 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300762460 PZWTXGPIKSXMJO-OAQYLSRUSA-N 430.578 2.117 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)Cc1ccccc1 1300779446 WQUZXTRIUGWIAT-JOCHJYFZSA-N 443.573 2.023 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC1 1300789245 CPFDBAYEOMDTHE-HTAPYJJXSA-N 443.573 2.224 30 10 IEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCOC2)C1 1300858188 MBKBDQKDNXPKAB-GOSISDBHSA-N 437.342 2.044 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1301372464 MMZWWQURZYJBAV-SNVBAGLBSA-N 428.303 2.054 30 10 IEEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1301505616 COFGYVPDFUIHLJ-INIZCTEOSA-N 431.500 2.222 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CO)(NCC(C)C)CC3)ccc2c1=O 1301531988 DGVHRBVXMZBVBZ-UHFFFAOYSA-N 430.574 2.084 30 10 IEEE COCCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1301538300 SIJZMHYUENJLGB-HXUWFJFHSA-N 449.556 2.497 30 10 IEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1303267705 GEKORFKRQSUJOF-UHFFFAOYSA-N 430.578 2.028 30 10 IEEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1304299198 BOWSHMDMONTCOA-KRWDZBQOSA-N 433.472 2.343 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1306450227 FGBJXJXYDAQPEE-GCJKJVERSA-N 427.505 2.149 30 10 IEEE C#C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccccc1 1309619753 ZPZFKSQHFZMODU-RTWAWAEBSA-N 428.510 2.318 30 10 IEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(OC)CCCC1 1314389102 HNFZRVOLEBJVEO-UHFFFAOYSA-N 425.537 2.367 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC[C@@H]2C)cc1OC 1315378396 GZCULVWGAFQWPH-IRXDYDNUSA-N 428.537 2.421 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315827776 SRWCUFHADDRGRB-GDAAHCPNSA-N 434.560 2.358 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Br 1316100930 DJCKZDUIOUETLW-INIZCTEOSA-N 447.337 2.406 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(-c2ccccc2)no1 1316209863 MAGPFRSGIXBOQP-QFBILLFUSA-N 438.488 2.434 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CC1 1316358153 ZUFFAJMGJFKIGF-UHFFFAOYSA-N 442.570 2.203 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1358903892 MPWDGNAISPEAGY-NRFANRHFSA-N 438.576 2.075 30 10 IEEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1358951152 KVABZJJPVYKGRF-UHFFFAOYSA-N 428.562 2.091 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358966192 JQDITLQSCHINPU-FQEVSTJZSA-N 433.622 2.123 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1 1359003406 JTQVOWYWKPSOOM-UHFFFAOYSA-N 425.514 2.260 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCn1cccn1 1359017345 ASLYNSBBPOWGSM-UHFFFAOYSA-N 435.507 2.466 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1359034775 CGJWEFXJCKCRJT-GUDVDZBRSA-N 442.608 2.214 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 1359102324 AALCPFAPDDDRHR-KNQAVFIVSA-N 441.580 2.180 30 10 IEEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1359115476 ALRKJELODLDDPB-MRCUWXFGSA-N 438.536 2.069 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)CC1 1359173650 LFXQMTKQRIUBNI-INIZCTEOSA-N 426.583 2.372 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359213529 YGLVDFCGIYUISC-OAHLLOKOSA-N 429.550 2.490 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359219216 JPFWLDKKZVIZLI-UHFFFAOYSA-N 432.466 2.389 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](OC)[C@H](OC)C1 1359224103 GQANQPRWYXNGJK-BGYRXZFFSA-N 430.505 2.159 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1359283449 RJEVCLQBDDGVSB-NEPJUHHUSA-N 431.971 2.367 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)C)C1 1359323885 YYSBKTDGWREWOT-LJQANCHMSA-N 437.548 2.070 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1359331629 DSIHCCHWDGFFFQ-RTBURBONSA-N 438.594 2.373 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCC1 1360907410 FNNISULOOHROSM-CQSZACIVSA-N 431.566 2.200 30 10 IEEE CCCN1C[C@@H](CNC(=O)COc2c(Br)cc(C#N)cc2OCC)CC1=O 1436883010 CQZGTHRKPWHQQN-CQSZACIVSA-N 438.322 2.473 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3SCCS3)CC2)cc1 1438017068 UVWMRSSGETWQEZ-UHFFFAOYSA-N 425.601 2.271 30 10 IEEE Cc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)N2CCOCC2)cc1 1441921348 YSKAWJXQHOYURU-NRFANRHFSA-N 445.516 2.235 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1445047930 FLZYZSYOHCXABC-IAGOWNOFSA-N 449.552 2.118 30 10 IEEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1456604288 JSSHIVSJXNVHNG-CQSZACIVSA-N 439.509 2.500 30 10 IEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)c1ncc(Br)cc1C#N 1458436394 WYNGPIGVHFQXOU-UHFFFAOYSA-N 429.271 2.017 30 10 IEEE C#C[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1465139062 QXFRWKIQKJSVPH-GOSISDBHSA-N 448.589 2.431 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1468154053 HTODWNPCQYMGDJ-WJOKGBTCSA-N 447.557 2.016 30 10 IEEE C#CC[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1468874456 ZRLURSMVDCGZKX-IBGZPJMESA-N 448.928 2.212 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC2CCC(C#N)CC2)C1 1469915973 PEZKITPTKDTTFG-OFLPRAFFSA-N 442.582 2.040 30 10 IEEE N#CCCN1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1 1471237149 IGTDLKQLRBWEQN-SAPNQHFASA-N 432.546 2.475 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@H]1CCOC1)C(F)(F)F 1472227345 NDSKCGOXBKQOMQ-SUMWQHHRSA-N 447.479 2.369 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1472265025 MZPRVUJYBVIAHO-QZQOTICOSA-N 426.860 2.405 30 10 IEEE N#Cc1cn(C2CN(C(=O)/C(F)=C/c3ccc(F)c(C(F)(F)F)c3)C2)c(=O)nc1O 1472370389 GWIADZDQJRKASZ-CPSFFCFKSA-N 426.301 2.372 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)COCCO1 1495736597 WBGLMBKAONLCBV-VGOFRKELSA-N 425.537 2.190 30 10 IEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1503390147 AOUHJRMDNACNGG-QHCPKHFHSA-N 430.516 2.028 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@@H]2C)cc1 1504304803 GGSFBWSPSROCKF-MSOLQXFVSA-N 428.537 2.182 30 10 IEEE COCCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504825816 AOGCCWSQNHAHSX-MRXNPFEDSA-N 436.495 2.497 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507629180 KIDFNBVXHLAFDJ-GOSISDBHSA-N 443.573 2.174 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507630274 VZAMLIRKIRVVCV-DENIHFKCSA-N 439.541 2.013 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCCn1cc(Br)cn1 1507649118 YLQRRBLCWADZBN-UHFFFAOYSA-N 439.321 2.247 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1507679195 SCUCPFOMBWZSAZ-JOCHJYFZSA-N 430.553 2.131 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1507710299 MPMRPSNNCIRVCF-QGZVFWFLSA-N 431.541 2.068 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507712388 XJORZRWYPWQOIB-BGYRXZFFSA-N 440.592 2.238 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCc3cccnc32)CC1 1507741068 KJZSYHBRYHQWPR-HXUWFJFHSA-N 436.560 2.296 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1507758103 INMYWBYLTBZXKP-IAGOWNOFSA-N 442.651 2.434 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1507771862 FIKOHMZGEYVCMF-DENIHFKCSA-N 433.622 2.294 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOCC2(CCC2)C1 1508075387 XVRUKLPWTSYXMG-UHFFFAOYSA-N 426.477 2.162 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)CC1 1508104697 MXPRGIRAKLVBDG-UHFFFAOYSA-N 437.504 2.180 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1508141282 MBQQEGFFEMTKNO-SFHVURJKSA-N 436.582 2.107 30 10 IEEE CC(=O)N1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1508198230 ACGYRJFFUXWPTN-UHFFFAOYSA-N 449.559 2.281 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1cnn(C)c1 1509213277 GPBUKHVTKFXFKH-UHFFFAOYSA-N 433.564 2.436 30 10 IEEE C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1512104085 COOGHBACKDIKIW-AOMKIAJQSA-N 443.573 2.381 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1517264038 SQHDOBUEVDDEEW-UHFFFAOYSA-N 448.474 2.069 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1517601711 WEOYUUGBQWATHO-MRXNPFEDSA-N 442.430 2.385 30 10 IEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1519008982 LORWAISGVQAIHD-SESVDKBCSA-N 441.532 2.131 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc2ccccc12 1519163445 AVLAAPHMCUSMPE-MRXNPFEDSA-N 443.529 2.341 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCCCCC1 1519163958 OQNLGLFXCGESCC-UHFFFAOYSA-N 444.536 2.458 30 10 IEEE C=CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1527982853 AZMIJZQGWKFBBJ-UHFFFAOYSA-N 428.938 2.216 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)C(C)C 1539178307 GTBCGNHTKQHHNF-SFHVURJKSA-N 434.585 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCSC1 1539420629 JMMVMRMOECIRRH-QFIPXVFZSA-N 425.558 2.235 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1539429967 FMENQPQOWKOJCS-JTSKRJEESA-N 445.564 2.180 30 10 IEEE C=C(CN(C)C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 1540716443 ZAZIESCXUSBNJH-LDADJPATSA-N 433.530 2.364 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2ccccc2)C1 1540862128 RPCJONXPZKIQIF-IBGZPJMESA-N 440.548 2.077 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@@H]1CCOC1 1541470486 PNXMZVNONHGUKN-HXUWFJFHSA-N 439.564 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1556132268 HPSIIRCZQUCQEQ-JJXSEGSLSA-N 440.516 2.457 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 1556823749 JGUQJAVPFQSTHB-QGZVFWFLSA-N 430.505 2.085 30 10 IEEE CNC(=O)OC[C@@H]1CCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1556879610 STLSVQGROKNSGN-INIZCTEOSA-N 435.322 2.494 30 10 IEEE Cc1csc(CC2(O)CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1557460465 YWMLIDJZKPHAQC-UHFFFAOYSA-N 437.518 2.098 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1565063226 KGAANKLERCCJAH-APWZRJJASA-N 446.573 2.332 30 10 IEEE Cc1nc([C@H]2COCCN2C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)no1 1567510583 PDQYWSBZNADHPL-FMPZLKCCSA-N 431.493 2.065 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@H](C)N3C(=O)c4ccc(C)cc4C3=O)c2C#N)C1 1586958197 IAZSWNNWVWOLEQ-LBPRGKRZSA-N 436.493 2.456 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1587300558 XLMBFQAZLJZRAN-GCJKJVERSA-N 443.500 2.108 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCCC1=O 1587904846 QBRWXZINDDGWER-UHFFFAOYSA-N 442.951 2.334 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1588180464 GJGDJEHFNYLGGD-HNNXBMFYSA-N 449.964 2.062 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC 1588262867 LGOQPDBLDVZVIE-UHFFFAOYSA-N 444.967 2.483 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588780168 IVFWJDVGXOZGKJ-SFHVURJKSA-N 426.952 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](COC)OC)CC1 1588780872 XSRFVOYODWEEDW-QGZVFWFLSA-N 433.940 2.024 30 10 IEEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)COC)CC1 1593865107 APGAHAGKBGUBJU-UHFFFAOYSA-N 441.923 2.178 30 10 IEEE C=CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594767579 VDTJWMQBWPEMKM-YLJYHZDGSA-N 426.583 2.298 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595461553 ZBZNOWSVJBKPOS-BRWVUGGUSA-N 430.553 2.149 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2ccccc2OC)CC1 1595476385 KSOULSRDYKOMCB-GOSISDBHSA-N 426.565 2.425 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(c2ccccc2C#N)CC1 1611469053 JTFYZWNOJJINPH-WZONZLPQSA-N 428.533 2.357 30 10 IEEE C[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612766163 AUGBHRROAMJWAM-KTVWJZFRSA-N 435.532 2.417 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)[C@@H]1C 1613035046 NGDLOTWQWLCXDU-CVEARBPZSA-N 449.602 2.208 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)c1 1617124699 QMLMWHJFCAMWJY-UHFFFAOYSA-N 445.394 2.432 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1618866294 GZONUKRJLBSCJI-WOJBJXKFSA-N 439.516 2.258 30 10 IEEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1620078937 KFMOBHJNBGWREV-LEWJYISDSA-N 441.532 2.285 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1627412841 UTHYHMBLQFXHHF-CHWSQXEVSA-N 429.468 2.455 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCSC[C@H]2c2cnn(C)c2)s1 1636222970 CECGTYONXXKFOU-INIZCTEOSA-N 440.616 2.195 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCO1 1638836886 QDIHOPMAJHENOQ-HOTGVXAUSA-N 440.541 2.326 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)c1 1638955387 JCCXYZLZEYFASR-MRXNPFEDSA-N 449.330 2.128 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 1640868099 LCUHBQAHMZHJCF-QYZOEREBSA-N 432.546 2.275 30 10 IEEE C=CCn1c(SCC(=O)N2CC[C@@H](c3nn[nH]n3)C2)nnc1-c1ccc(Cl)cc1 1643388030 YKZHQTMVVVHQRP-CYBMUJFWSA-N 430.925 2.406 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 1644248024 SWLYTAJYZLSUOM-AQNXPRMDSA-N 429.565 2.005 30 10 IEEE COCCN(C(=O)CSc1ccc(C)cc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1656838379 WJVVNNOVZQTJBL-UHFFFAOYSA-N 445.545 2.139 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CO1 1674054964 CQMOVZAIZOTRSB-IBGZPJMESA-N 429.521 2.373 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689884329 RIGAUWYPRGYVIH-UHFFFAOYSA-N 433.516 2.344 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1689947371 FVFMJTQETQKTCM-QFIPXVFZSA-N 446.573 2.252 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(NC(C)=O)cc1 1690003470 OOQOJCFGRJSWAN-XMMPIXPASA-N 435.528 2.204 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OC)c2)CC1 1690141731 BHQCOWSBWRCFHZ-UHFFFAOYSA-N 430.512 2.363 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1690247061 ZIBIRYSWJGKENX-YRXWBPOGSA-N 438.594 2.024 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](C(F)F)N1CCOCC1 1690530365 MEOOJUNMTMXQNV-SFHVURJKSA-N 445.518 2.495 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C)(COC)CC1 1690726616 GNNNHAKAAFPNEW-UHFFFAOYSA-N 433.578 2.118 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1690742190 JMJMDPZCKNUGFY-SFHVURJKSA-N 440.573 2.111 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)c1 1692963857 DKIZHXBZTHNYON-GOSISDBHSA-N 446.577 2.248 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1693893292 NZSDEXDOJOXAGZ-CVDCTZTESA-N 438.532 2.117 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1696682664 FCXILTMGJHBNSA-VZCXRCSSSA-N 448.462 2.037 30 10 IEEE CS(=O)(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1 1698317129 CIDBWZPSXCDUNF-UHFFFAOYSA-N 441.561 2.029 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1705493514 KCWPMFRZFWFUSZ-HOCLYGCPSA-N 426.487 2.352 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NC(C)C 1705621343 XZOIFGNYDRBZAF-UHFFFAOYSA-N 437.523 2.443 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2oc(CC)nc2C)CC1 1705641257 YARNBEJCRQTYKE-UHFFFAOYSA-N 425.562 2.296 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1705642570 YMNOOYKHAKZTDP-UHFFFAOYSA-N 427.512 2.122 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCOC1 1705655489 NFCYHSLSMLUIHV-MRXNPFEDSA-N 434.587 2.188 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(C)c1 1705684834 DSOSJJQWPYOLEK-UHFFFAOYSA-N 434.298 2.284 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1705714041 BXEXRUNECLFHPX-INIZCTEOSA-N 426.521 2.256 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@H]2C1 1705907032 YFNGGMSYALZULL-FQEVSTJZSA-N 438.576 2.451 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1705939086 RPMDHCCJWDKWAC-UHFFFAOYSA-N 434.610 2.174 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1c(O)nc2ccccc21 1722299299 OCLGJXHERQZJEJ-HNNXBMFYSA-N 449.540 2.483 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722371797 LQTFJQQCKXMGSF-MSOLQXFVSA-N 448.614 2.278 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(C)no1 1722428263 SWELXUAUWZRNBK-CALCHBBNSA-N 444.536 2.480 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCOC)cc2)CC1 1722437697 VZERWALTTYFWEY-JOCHJYFZSA-N 439.560 2.348 30 10 IEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1722455324 SLNIWPQLDQCYSK-KRWDZBQOSA-N 427.530 2.448 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722551155 YBQNGOLUGQFPTB-MRXNPFEDSA-N 429.912 2.168 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H]1COCCO1 1722678725 WNCJENZNAGPIFC-SFHVURJKSA-N 430.505 2.161 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCS1 1724032013 LFKWMZXOVAIZSV-MRXNPFEDSA-N 426.546 2.339 30 10 IEEE Cc1cccc(N(C)c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1724236961 ISASMTIUCNKAGK-QURGRASLSA-N 449.515 2.003 30 10 IEEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1726370522 CPAGWUFXFPMYNO-SFHVURJKSA-N 426.546 2.033 30 10 IEEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)o1 1727977991 GAFIQWNVINUUJA-UHFFFAOYSA-N 449.515 2.352 30 10 IEEE CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1728293558 QOSPVZXZJZACIQ-INIZCTEOSA-N 441.513 2.480 30 10 IEEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1728737173 GDWHNSLFWSPFLS-VQTJNVASSA-N 437.548 2.482 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)C2CCC2)CCO1 1731189175 KMYGUMYYZOFQIE-INIZCTEOSA-N 429.912 2.029 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCC(OC)CC2)CCCC1 1740558588 TYYQUQVAOJZERC-IBGZPJMESA-N 442.608 2.282 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1740600850 SIDDVEYIJMRDHD-LJQANCHMSA-N 439.438 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(=O)NCC(F)(F)F 1740683147 WHWGAHRFJIMNGJ-UHFFFAOYSA-N 429.830 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1740704589 UBIZPQWSBQTXOZ-PZJWPPBQSA-N 434.544 2.287 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1740716083 KXDHDGYLTBVPFS-WOJBJXKFSA-N 438.601 2.306 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1740787067 YWQUMPIHYZLTCY-UHFFFAOYSA-N 437.548 2.207 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740791855 RRYCHUOGBXMFKJ-LJQANCHMSA-N 437.552 2.167 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1740868083 DFKBYQRKRAEDCH-MRXNPFEDSA-N 436.557 2.320 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(C)(=O)=O 1741195997 ICUSBXDNUMHGFX-UHFFFAOYSA-N 430.578 2.110 30 10 IEEE CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1741703330 BNSLFDBFIXBLPN-OAHLLOKOSA-N 434.953 2.477 30 10 IEEE C[C@H](c1ccccc1)N(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1741786884 QBTMZSONYNQHBA-UMIVRTMYSA-N 446.515 2.402 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3OCC[C@H]3C)CC2)c1C#N 1742669560 MRIAZRZZGOGDLZ-CRAIPNDOSA-N 426.569 2.241 30 10 IEEE CCNC(=O)N1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1746530498 IYKGDKCVPWQWMX-UHFFFAOYSA-N 433.516 2.428 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCn1cncn1 1748650064 XCEIEDFYAIVTQP-CYBMUJFWSA-N 430.310 2.466 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1748846506 HVBRUWLGVATCBR-HNNXBMFYSA-N 441.538 2.018 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CC1 1748847326 SCFZYURXYGXATA-QGZVFWFLSA-N 426.517 2.124 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1748906313 APZGCBQSPNPZRW-UHFFFAOYSA-N 434.342 2.023 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC(F)(F)F)c1 1748935536 WNQKNKIPWAUGIZ-UHFFFAOYSA-N 436.438 2.244 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749095775 CIKGJMIDLTUYIZ-ZDUSSCGKSA-N 432.326 2.139 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCc1cnccn1 1749141378 BGPJAMWWQHVDAS-QIJZPMMNSA-N 442.564 2.452 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749459215 BPMZROBECPLHJT-KRWDZBQOSA-N 425.599 2.074 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1749573244 BFOZUOWUDLSJII-HZPDHXFCSA-N 442.486 2.061 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749687142 LTYOPKDUNZZHBB-KRWDZBQOSA-N 440.548 2.086 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1749707442 DWLIPAROAVKSQH-WOJBJXKFSA-N 425.533 2.361 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(C)(=O)=O)C1 1749710085 VSUSDHMEASRANV-KRWDZBQOSA-N 443.529 2.426 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccsc1 1750021515 BVXPEEAZJRWUEM-LPHOPBHVSA-N 430.578 2.483 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CCOCCS(C)(=O)=O)C1 1751274753 QZAPCCQCKRVFDH-FQEVSTJZSA-N 435.525 2.275 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1760192194 GBNFWOSLNBRBOJ-MRXNPFEDSA-N 430.521 2.267 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@H](F)C2)CC1 1760264621 ATHYQLGYCGIPER-AEFFLSMTSA-N 446.571 2.301 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1760277533 NUAOESOXAPTGLZ-UHFFFAOYSA-N 441.557 2.140 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760373081 GPIYHBMNYWBKMC-KRWDZBQOSA-N 446.914 2.473 30 10 IEEE C=CCCCn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760444319 DQOZUTDGTMJURG-IYBDPMFKSA-N 441.598 2.496 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760518367 SAXMFRGKFYABRP-GAJHUEQPSA-N 441.532 2.030 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1760553206 OFGFUNOESLJUAA-IBGZPJMESA-N 447.605 2.011 30 10 IEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCO1 1761304059 LRPKOFHERKHYSK-LEWJYISDSA-N 441.532 2.252 30 10 IEEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)s1 1762495442 DGOKDUDNUZGIEC-UHFFFAOYSA-N 436.545 2.330 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1763088773 YHRLDYGDKKUZKJ-ZHRMCQFGSA-N 438.576 2.381 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C[C@]2(CCOC2)O1 1763177744 LGNOAMLXUYDRHA-MBSDFSHPSA-N 441.532 2.276 30 10 IEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1765235095 FLMFSYFURIIPLH-UHFFFAOYSA-N 425.537 2.435 30 10 IEEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cs1 1767997007 GGDVREFBETYSOH-CQSZACIVSA-N 437.529 2.307 30 10 IEEE CN(CC1CCCCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768779707 WZTXUYNVZILZEC-JLUOLNIDSA-N 428.537 2.325 30 10 IEEE COC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1769229819 AFOSNOOBAHERPU-LAUBAEHRSA-N 430.484 2.251 30 10 IEEE COCC1=CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770867166 PTDDHSVLUHUSLJ-FMQUCBEESA-N 428.537 2.176 30 10 IEEE COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)n(C)n2)c1 1849445226 KZTBBXULHJDKDP-UHFFFAOYSA-N 432.484 2.333 30 10 IEEE CC[C@H](C)[C@H](CC(=O)N1CCN(c2nccc(C#N)n2)CC1)N1Cc2ccccc2C1=O 1851176743 XORGSMVPUYEKAJ-UWJYYQICSA-N 432.528 2.458 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(CCc4ccc(Cl)cc4)C3)CO2)nc1 1852465120 OPIPWPJYGWVNKG-IEBWSBKVSA-N 440.887 2.361 30 10 IEEE N#Cc1ccc(N2CCN(CCOCc3nc(-c4ccc5c(c4)OCO5)no3)CC2)nc1 1852751808 JNGQPDSYUSJUTI-UHFFFAOYSA-N 434.456 2.071 30 10 IEEE C=CCC1(S(=O)(=O)N(Cc2nc(-c3cnn(C)c3)no2)C2CC[N+](C)(CC)CC2)CC1 1853573254 MKEIQAJFNXBWTM-UHFFFAOYSA-N 449.601 2.340 30 10 IEEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1857224366 DPOZBGKQIJTOTI-ZWKOTPCHSA-N 430.574 2.252 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 1862708020 KNYTYTBCZGVZHG-IBGZPJMESA-N 443.452 2.379 30 10 IEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2cc(C)ccc2C)C1=O 1863740070 JYDBNNHNANELIF-UHFFFAOYSA-N 425.510 2.007 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CC)nn2CC(C)C 1864327530 VULYQRBTZXDAOX-IBGZPJMESA-N 440.544 2.469 30 10 IEEE COCCCNC(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932225 XPEMDUVNNUACKI-GOSISDBHSA-N 447.582 2.180 30 10 IEEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870151448 WTMBQEGJVDSCRE-MRXNPFEDSA-N 444.451 2.391 30 10 IEEE Cc1c(C(=O)Nc2c(C#N)nnn2-c2ccc3[nH]ncc3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870155758 DCKYFDDZWVWNRF-UHFFFAOYSA-N 433.344 2.392 30 10 IEEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN(CCO)CCO 1870448786 OOYAYVHUDKJNES-UHFFFAOYSA-N 440.581 2.327 30 10 IEEE C=CCOc1cn(CCCN(CC)CC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870811325 USCQAYOWVZZUFD-UHFFFAOYSA-N 448.589 2.405 30 10 IEEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(N(CCO)CCO)ncnc21 1873647098 XXOQLYMATIRJAM-UHFFFAOYSA-N 425.489 2.059 30 10 IEEE COc1cc(/C=N/n2c(COc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 1874383763 WRQGWOZSLWVMAD-LSHDLFTRSA-N 443.485 2.040 30 10 IEEE N#CC1(c2ccc(C(=O)N3CCN(Cc4nnnn4-c4ccc(F)cc4)CC3)cc2)CC1 1891361307 CTXPDVVVCMEEKR-UHFFFAOYSA-N 431.475 2.315 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](N)C#CC1(S(C)(=O)=O)CC1 1902432985 YQDJUPLEKYJOHW-OALUTQOASA-N 436.574 2.395 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013642467 IHPIFVMUNZQVBL-HZPDHXFCSA-N 439.553 2.429 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C=O)O1 2049382613 RMBAHNFRPVNIHT-CUFAYPDRSA-N 432.488 2.481 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@@H](O)C1(C)C 2073264279 RTEYBQMSMBJYTL-IECBHUPTSA-N 442.560 2.277 30 10 IEEE COC[C@]1(OC)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172786612 UJUXQBSMQXCXDV-SFHVURJKSA-N 427.148 2.385 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212234449 WCPXXHITHMZFIO-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE CN(C[C@H]1CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2224092777 JJCCDEJMJOETKQ-INIZCTEOSA-N 433.358 2.453 30 10 IEEE C=CCN(CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248416530 UMDCJEVFLRGTRT-UHFFFAOYSA-N 438.359 2.011 30 10 IEEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2255634827 CAVPMHIYJUOBKX-KRWDZBQOSA-N 443.378 2.073 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255645609 QFSPMRJCCNSHRC-IPYPFGDCSA-N 449.382 2.428 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255653689 MRNPYFSTIRHPSS-UHFFFAOYSA-N 435.305 2.259 30 10 IEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256623114 AUCDGUYTDFYDAV-CABCVRRESA-N 438.330 2.279 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)CO1 2267008257 DIZGYVGACOTSFM-HNNXBMFYSA-N 447.341 2.403 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2267100451 AOBTWABPTOCDHK-MRXNPFEDSA-N 446.353 2.040 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2267105303 JSWCCNBGHZGFHO-KBPBESRZSA-N 438.255 2.364 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267126751 DAALAYXLDQMEKV-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267127499 JKQDAUCBLBUMNB-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267142344 SLEKACDNXFASQS-JOCHJYFZSA-N 446.357 2.325 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267192078 LWNHIHWJWMOFDN-PEBXRYMYSA-N 446.357 2.086 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1 2267195967 MUTVKCHGOCBZOZ-CQSZACIVSA-N 448.325 2.275 30 10 IEEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267877227 RVWHDNLCJGWANQ-HUUCEWRRSA-N 446.357 2.151 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268631030 SAGYFHJWIAUTJI-HZPDHXFCSA-N 447.341 2.344 30 10 IEEE C[S@](=O)CCCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304220 HTCKQSUBNWQLQG-VWLOTQADSA-N 441.833 2.138 30 10 IEEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2317504138 VUWUPGNBAVMUFU-ZBFHGGJFSA-N 433.358 2.479 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@H]21 2341940761 SNGOGYCYFJHQCF-JKSUJKDBSA-N 446.357 2.323 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 29012829 CXLIIWSAWAENKH-AWEZNQCLSA-N 435.452 2.137 30 10 IEEE C=CCN1C(=O)/C(=C\c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 33499478 UFQJWSKLNMPZCP-NTCAYCPXSA-N 428.539 2.227 30 10 IEEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C(=O)C1=O 64835510 FWVNTVZCAYTYEZ-UHFFFAOYSA-N 446.356 2.003 30 10 IEEE COc1ccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)cc1OC 102748303 LXTLCSAGVIJNRW-HQMFNGAOSA-N 428.489 2.027 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 105288736 IZGLTDLSLGFNSX-UHFFFAOYSA-N 439.541 2.090 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2Br)CC1 409512479 JHGNUUKYVGPARF-UHFFFAOYSA-N 448.342 2.396 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 410074565 MFSFFYYZIADQOT-VXGBXAGGSA-N 437.381 2.107 30 10 IEEE COc1cc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c(C)c1OC 434964164 VLYRTBBAGIQENB-UHFFFAOYSA-N 428.493 2.289 30 10 IEEE N#Cc1cc(NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)nc2ccc([N+](=O)[O-])cc12 443502988 XSWRUZLETHLMKC-PMACEKPBSA-N 442.479 3.025 30 10 IEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCOC)[C@@H]1CCOC1 460392062 WTTKURMXAAHPPH-MRXNPFEDSA-N 434.566 2.056 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C2)cc1 461729108 PJUJGHCPKWZFSC-SFHVURJKSA-N 431.539 2.453 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(=O)Nc3ccccc32)CC1 467159988 QKKSVMMSUPXNKQ-UHFFFAOYSA-N 446.467 2.304 30 10 IEEE C=CCN(C(=O)c1cccc(S(=O)(=O)NC)c1)[C@H](Cc1ccccc1)C(=O)OCC 474228291 SSOBQYSWPIHLIZ-HXUWFJFHSA-N 430.526 2.397 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NS(=O)(=O)c3cccc(Cl)c3C#N)c2)CC1 476920160 JLNOCRNIVYHZTN-UHFFFAOYSA-N 432.933 2.329 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cn1 480197099 IYOUCVMVHVZFSS-ZDUSSCGKSA-N 435.410 2.451 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)n(C)c1 484864033 OXCCNQKXHOCOAO-CQSZACIVSA-N 425.308 2.033 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)cc1 485329918 LMHMZZWITLCKAN-UHFFFAOYSA-N 426.454 2.287 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 488664201 RUJUXNNXLZJCKU-SFHVURJKSA-N 447.557 2.149 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 489746482 ZTRPQEPRPDLDGS-LJQANCHMSA-N 431.489 2.168 30 10 IEEE Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)ccc1F 503642907 NIDOGNYPVOZEBE-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)cc(OC)c1OC 505501732 SNTBJLGTYTWSSQ-LPHOPBHVSA-N 426.473 2.243 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)CC2)nc1 511943086 QPWQAODSBMJBCM-QHGAOEGBSA-N 439.491 2.426 30 10 IEEE COCc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F 522985880 RTPAVIKNWOAWEH-UHFFFAOYSA-N 446.504 2.060 30 10 IEEE COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 533686012 ZOXBLYQMGJTXFN-UHFFFAOYSA-N 443.525 2.188 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4cccc([C@@]5(C)NC(=O)NC5=O)c4)no3)cc2C1=O 544425581 SVQWSTXGJXRXNM-HSZRJFAPSA-N 443.419 2.240 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 553841677 FRIDUKUHBFBOIR-CYBMUJFWSA-N 426.336 2.344 30 10 IEEE CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1cccc(Br)c1C#N 553867883 YOWUAJVVNLLSMF-HNNXBMFYSA-N 438.303 2.168 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(C2)Oc2ccccc2O3)CC1 580120590 DVWLVAYQBCPWFL-HXUWFJFHSA-N 436.487 2.408 30 10 IEEE Cc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4nc5c(cc4C#N)COCC5)CC3)n2)n1 585622218 AYSFSSYPOYPWME-UHFFFAOYSA-N 445.527 2.981 30 10 IEEE COc1cc2nc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)sc2cc1OC 590659636 HPIGAZNVKHEPRM-UHFFFAOYSA-N 432.483 2.102 30 10 IEEE Cc1ccc(Cn2c(=O)c3c(nc(N/N=C/c4cccc([N+](=O)[O-])c4)n3C)n(C)c2=O)cc1 606631397 ZZGXOVMVCVSGHL-FSJBWODESA-N 447.455 2.145 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(CCOCc2ccccc2)CC1 611190307 WSDVEBOJVARSSD-KRWDZBQOSA-N 427.526 2.481 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=S)Nc3ccccc3C#N)CC2)c1 734310149 KBSNMVMXJKFWPW-UHFFFAOYSA-N 428.539 2.117 30 10 IEEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NCC1(c2ccc(F)cc2)CCCC1 741339633 HJSKDUIMHWOZSG-DQRAZIAOSA-N 443.475 2.213 30 10 IEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1nnn(C2CC2)c1C(F)(F)F 745776793 YJBZHSZCDSJGGY-UHFFFAOYSA-N 445.361 2.485 30 10 IEEE C=CCNC(=O)NC(=O)COC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 748901945 YDVDIGFAKJEBIG-UHFFFAOYSA-N 448.277 2.076 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@H](CO)c2ccccc2)c1 750591373 ZEZXHXWMXPECCJ-DJUDNFEDSA-N 430.530 2.397 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nc(C(F)(F)F)cs1 767359658 IFHCAQQFIRGZSD-UHFFFAOYSA-N 448.496 2.329 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(NC(=O)CCN(C)C)c2)cc1C#N 768199718 MTPCIEDRWCRCRH-UHFFFAOYSA-N 437.500 2.020 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1c(F)cccc1Br 771893790 PZHIUBRGLUEMKC-UHFFFAOYSA-N 427.251 2.482 30 10 IEEE COc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)N2CCCC2)cc1 774808240 DPAKJSPKZFTMNE-NRFANRHFSA-N 436.512 2.145 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 780859722 ANTOIHOHFGCWFH-HSZRJFAPSA-N 437.540 2.136 30 10 IEEE C[C@@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 790689603 ZOBXYLFPQVNJKF-PEBXRYMYSA-N 443.525 2.372 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@@H](C)c3cccc(NS(C)(=O)=O)c3)CC2)c1C#N 812007631 AHLYKHPJESVSHX-ZDUSSCGKSA-N 448.574 2.288 30 10 IEEE CO[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 815381962 WRBOOJOOFGPZJG-DOTOQJQBSA-N 442.472 2.203 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCC(=O)OC)Cc2ccccc2)ccc1F 914467799 IOVOGJDODRDLOA-UHFFFAOYSA-N 434.489 2.496 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@H]2COc3ccccc3O2)cc1 916715622 SPXAGZKSBCBWLS-GFDWPABASA-N 444.513 2.461 30 10 IEEE C=CCc1cccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1O 1084216186 BCLCQUQLXDRXDM-UHFFFAOYSA-N 444.546 2.368 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(Cl)c(C)cc2Br)C1=O 1129690279 VSWROCFTUKQHHW-UHFFFAOYSA-N 429.654 2.431 30 10 IEEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1130149168 CQGVLXGTZDFBAU-QFIPXVFZSA-N 426.494 2.167 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1cnn(Cc3ccc(C#N)cc3)c1)C2=O 1132792836 UCOKDHYJHWWQOJ-HZPDHXFCSA-N 434.500 2.488 30 10 IEEE CO[C@@H]1C[C@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)N(C(=O)OCc2ccccc2)C1 1134525718 KBYRYSIOABCJFK-WOJBJXKFSA-N 428.485 2.277 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 1135983459 VLQUYDFUKPRPLY-DLBZAZTESA-N 426.414 2.335 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1136884698 PLZGDZGKHMRVHD-RTBURBONSA-N 429.565 2.015 30 10 IEEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)CC1 1137371190 HMSXAMHIURYHDY-MBNRZODZSA-N 428.920 2.319 30 10 IEEE C[C@@H]([C@@H](C)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1)S(C)(=O)=O 1146468462 NKMUCEMKDOAAKR-NEPJUHHUSA-N 428.352 2.037 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 1152128677 MQBYICMLZRSAKO-RDYUPDBUSA-N 425.551 2.471 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1171843154 ACHLLDNTCSMWGC-UHFFFAOYSA-N 430.436 2.096 30 10 IEEE N#Cc1cc(NC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)ccn1 1208085343 HVFZSRZAALNOEF-UHFFFAOYSA-N 436.497 2.430 30 10 IEEE C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)cc1 1219766818 PKCFHFVHRDUOOO-UHFFFAOYSA-N 427.457 2.485 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)[C@H]1c1ccnn1C 1267515729 RJGWRWUMXSXIKR-QGTPRVQTSA-N 435.406 2.108 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1286273856 KPUILKXSKSPQJC-HNNXBMFYSA-N 427.509 2.298 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286282971 RBDOJQUBTGILTO-ZWKOTPCHSA-N 432.528 2.446 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286347435 LPWWHWKYHZGYFR-NHCUHLMSSA-N 442.608 2.456 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccn2)CC1 1286357232 ZPGQKSSPSSUUTF-UHFFFAOYSA-N 435.557 2.405 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286546689 LCIJCRKGKSEPCA-OTWHNJEPSA-N 437.610 2.387 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286548920 UTRDTAJWALVMDX-QRVBRYPASA-N 446.596 2.140 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286782488 WMXKCHCFYDOOTH-LJQANCHMSA-N 430.516 2.236 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C1 1286812239 MPVDRANZGWNKCB-LJQANCHMSA-N 443.573 2.497 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1296248714 GELBJQZMKDWYOX-UHFFFAOYSA-N 428.562 2.444 30 10 IEEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1298605165 XHXRZJONIHXBAM-CZIZESTLSA-N 441.442 2.435 30 10 IEEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)n1 1298848343 GPXNSUKESHFCHP-UHFFFAOYSA-N 441.517 2.173 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1300395666 ATNZWXKNPLQLQP-UHFFFAOYSA-N 425.354 2.249 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300478749 ANJGYEKEHATXHZ-INIZCTEOSA-N 440.635 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC(C)(C)C1 1300530070 XMUFMFBNBWOHCH-UHFFFAOYSA-N 443.555 2.314 30 10 IEEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)N(C)C)CC1 1301092239 SQQRNLKYFHOJKB-UHFFFAOYSA-N 428.562 2.329 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1301170074 NMZGJPKAVMKRPX-SJORKVTESA-N 442.568 2.277 30 10 IEEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301331820 WBTYOJLGOMOYRP-INIZCTEOSA-N 449.552 2.433 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1301354791 JINYUQVXMPQHKB-GOSISDBHSA-N 444.536 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301576087 RTLNIALDSXSBIU-FQEVSTJZSA-N 449.964 2.058 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)[C@H](C)C1 1301724049 AYRCGRNPDJPQNL-QGZVFWFLSA-N 437.548 2.036 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1303329380 BRZVGOGMKOYTDZ-AUSIDOKSSA-N 438.532 2.262 30 10 IEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1303711489 DXNSEOWUENNULC-ZBFHGGJFSA-N 431.541 2.225 30 10 IEEE C=CCO[C@H]1CCN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)C1 1312696370 DPUOWPQWFURGII-QFIPXVFZSA-N 428.577 2.344 30 10 IEEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1314455469 KRHOFCHHAUKHCZ-UHFFFAOYSA-N 441.536 2.007 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1315409738 FSRHKNGZLNLZPL-HNNXBMFYSA-N 436.472 2.177 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](SC)C(C)(C)C 1316101269 GDPKFBLPSCZRLR-HOTGVXAUSA-N 443.639 2.324 30 10 IEEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)cn1 1316115077 JJTDANIJAAPIBL-UZLBHIALSA-N 439.495 2.414 30 10 IEEE CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)n1C 1349931144 SLLDYZMYSHFIBG-UHFFFAOYSA-N 445.545 2.382 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)OCC 1358877228 ZJFZMTWQSMAMIW-INIZCTEOSA-N 433.578 2.468 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1358887857 CXKPVBBEJOGPOF-CADBVGFASA-N 447.580 2.390 30 10 IEEE C#CCCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1358919619 GLLWEGSICBAUPJ-OAHLLOKOSA-N 436.607 2.481 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCCCC)CC1 1358929972 LNPCOWLIJGZKDQ-GOSISDBHSA-N 449.621 2.259 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358951636 FNRKIKYDYGXOHL-UHFFFAOYSA-N 441.532 2.263 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H](C)C1 1358992102 ZZXFRFFXJUALJD-MOPGFXCFSA-N 444.539 2.470 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC(C)C 1359063635 ZWJXULCAGUEIDX-JOCHJYFZSA-N 442.951 2.378 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1359073483 RHUFSCOKUQFOOT-NTKDMRAZSA-N 434.544 2.442 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1359222684 OYOPSQRROCRWPL-KBPBESRZSA-N 439.504 2.260 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C#N)cc1 1359304131 NAYTXFBQGOADKA-UHFFFAOYSA-N 449.540 2.080 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359472670 OILBCVSPEGHWAS-IRXDYDNUSA-N 443.552 2.370 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1361120563 NARNDWWJQZHKKN-XMSQKQJNSA-N 426.496 2.353 30 10 IEEE C#CCN(C(=O)CCCn1cnc2c(N)ncnc21)C1CCN(C(=O)OC(C)(C)C)CC1 1455813012 ZYPZEOPJLIMCFB-UHFFFAOYSA-N 441.536 2.050 30 10 IEEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1460119673 CXMTXENFEVZFSM-DOXZYTNZSA-N 427.892 2.335 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3c(Cl)ccc(Br)c32)C1=O 1460763799 HKWRSMVNJINOSU-UHFFFAOYSA-N 440.681 2.359 30 10 IEEE C[C@@H]1CCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1493843050 ABCGKVVGPQFVIF-XLIONFOSSA-N 442.589 2.173 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1502118890 FBHZYVFFCBIGIX-QQMHEVNUSA-N 440.504 2.378 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507580554 HMAVKJXAWKCIGX-SFHVURJKSA-N 438.532 2.416 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1n[nH]c(C)n1 1507613192 YMWQDNBTNIXUSB-UHFFFAOYSA-N 428.541 2.131 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507631803 GGXZLWUDLMBIEL-RTBURBONSA-N 446.548 2.181 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1507635514 WNKUJKVHQFJOIZ-FQEVSTJZSA-N 430.574 2.231 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnn(C)c2)CC1 1507721872 UURYHQRWAVFQFD-UHFFFAOYSA-N 425.924 2.144 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccs2)CC1 1507957516 PNEIIVFRCZLIFP-UHFFFAOYSA-N 430.578 2.495 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1507980311 CGDXEIJDXWGUER-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1)C1CC1 1507992364 CIMHLUMOXKHCRD-LJQANCHMSA-N 449.552 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC[C@@H]1C 1508135049 XIIDACVQJIEANK-AWEZNQCLSA-N 437.547 2.396 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC([C@H]2CCOC2)CC1 1508137320 MJFRIYNTVXQUKB-SFHVURJKSA-N 433.578 2.137 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1508709108 HSOFLJGOSUMBQY-RCCFBDPRSA-N 447.561 2.333 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CCC1 1517107838 AGHGLSFZBHGUPY-HKBQPEDESA-N 440.573 2.323 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1517561642 IQJWLJKSXDVCGV-UHFFFAOYSA-N 436.472 2.192 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1nncn1C 1519261883 UIMDVTDUALZFMQ-QGZVFWFLSA-N 448.531 2.344 30 10 IEEE C=CCOc1cccnc1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1521358937 RHZIERCMUOJZNI-PBHICJAKSA-N 427.423 2.335 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)s2)CC1 1525887150 ZCLPRWAFPVIKCU-UHFFFAOYSA-N 447.538 2.123 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1527772112 VSBJAJKOAHLDFI-JKSUJKDBSA-N 440.541 2.326 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1538974220 RIWGVLVHAXZVKA-OLZOCXBDSA-N 444.483 2.003 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)s1 1539301794 HKDJHZGECZNAHP-UHFFFAOYSA-N 426.516 2.419 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCOCC1 1539422611 GAZNNVPAJIFQKG-UHFFFAOYSA-N 428.533 2.101 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3ncccc3c2)CC1 1539429622 APLDJEGWYMKJRV-LJQANCHMSA-N 434.544 2.354 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)cc2)CC1 1539468841 JECPLIZHBXYRJV-LJQANCHMSA-N 439.560 2.325 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCCC2)CC1 1539475721 NFQHJKJRZWOVLN-IBGZPJMESA-N 435.576 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCOC(C)C)CC1 1539488482 KCHZRJMEZZACOP-UHFFFAOYSA-N 443.523 2.387 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1540870260 IQSYUBPVJHSCGN-UHFFFAOYSA-N 428.512 2.322 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1540873135 NVSNZXBRLHNVPX-INIZCTEOSA-N 443.621 2.247 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCN(C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1540876263 LSMSKFOVUNTITA-UHFFFAOYSA-N 436.560 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540904205 LHRPNUOSZYXAPK-UHFFFAOYSA-N 441.598 2.135 30 10 IEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[C@@H]1COCCO1 1541644126 SOTLPUDLQCBNGK-HXUWFJFHSA-N 438.532 2.262 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1 1546131971 RMOUDQCGXUOZSE-CVEARBPZSA-N 428.576 2.091 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C(C)C)CC1 1548281410 XZFZFSVRBJOSDD-QHCPKHFHSA-N 426.565 2.382 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCOC1 1554121837 CWKIOGCGFMIQTE-QGZVFWFLSA-N 436.520 2.349 30 10 IEEE CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1554205085 CSGDUCWZTSKIOR-UHFFFAOYSA-N 426.502 2.266 30 10 IEEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1555560667 ROEKGBKGEQWTOM-IBGZPJMESA-N 441.532 2.459 30 10 IEEE C=CCC[C@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1556586612 YVGARPCCSBAIBF-QGZVFWFLSA-N 436.508 2.426 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3cc(F)ncn3)CC2)C1 1556704077 QFBJSPBZOQXMKI-UHFFFAOYSA-N 445.296 2.035 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 1557386279 FGMZOYSSBVILHT-UHFFFAOYSA-N 432.498 2.175 30 10 IEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)COc1cccc(Br)c1C#N 1558962698 FCWWTYSEWHSXDT-UHFFFAOYSA-N 442.310 2.045 30 10 IEEE COC(=O)Cn1nc(C)c(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1C 1567154939 RVTORQPLZIQQJL-UHFFFAOYSA-N 441.337 2.211 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3sccc3C#N)CC2)CC1 1586673254 NDKSKLCRITYOKQ-UHFFFAOYSA-N 433.534 2.050 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(=O)(=O)CC 1587655811 ACLYMIHEIIDLAI-INIZCTEOSA-N 428.562 2.138 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1588029028 CEEKMDJWLSORRP-IHZGOTPNSA-N 434.606 2.360 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588059077 IZRQPAGCPJDJMN-UXHICEINSA-N 435.638 2.224 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC1CCN(CCN(C)C)CC1 1588223774 GGLRXEKXDSQLNK-JOCHJYFZSA-N 426.609 2.256 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1589151189 UDJVWPOSKAFWSQ-GRDNDAEWSA-N 427.521 2.316 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1593884026 ASRBTEKCQVESNM-INIZCTEOSA-N 444.001 2.016 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1594856564 HHBMYUZAJNBYDC-KRWDZBQOSA-N 433.578 2.259 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1595308072 VPEYKEHQDFLOOB-RTBURBONSA-N 445.568 2.047 30 10 IEEE C=CCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453243 PUUYUWDEXAJGHV-SOLBZPMBSA-N 427.553 2.411 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C1 1595706466 LQFNTALJVTUFIL-RTBURBONSA-N 427.549 2.456 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCOCC2)C1 1595737623 FFUWSKFNOBWIQK-LPHOPBHVSA-N 432.594 2.136 30 10 IEEE CC(C)CSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1607832561 SYKGPXNYWKESCO-UHFFFAOYSA-N 449.602 2.353 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1608553427 ZCWXEODQTDTMDP-ZDUSSCGKSA-N 439.442 2.002 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1614079395 DMYZQFGJOCIFSW-OALUTQOASA-N 438.532 2.259 30 10 IEEE C#C[C@@](C)(CC)NCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1618048180 JHGACMSRZRZFBB-QHCPKHFHSA-N 425.533 2.256 30 10 IEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1618527471 YKVNPYIWSVCCMV-UHFFFAOYSA-N 438.532 2.284 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1618528951 MEDXEIPPOUSKMN-VXKWHMMOSA-N 432.569 2.221 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)(C)C)CC1 1618829215 FLVKMEHGIABETC-SFHVURJKSA-N 425.537 2.339 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1618866020 CIXQUTNTLKIMMT-UHFFFAOYSA-N 429.546 2.322 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 1624284148 NSHPITCUTNZBPY-HOTGVXAUSA-N 427.526 2.247 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)n[nH]2)c1C 1624810959 CLBXTQQNFYWSLO-QFIPXVFZSA-N 447.543 2.060 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)cc1 1626004622 UPHCBZJYGPAMLS-LYBHJNIJSA-N 426.502 2.480 30 10 IEEE C#CCC[C@@H](O)CNC(=O)Nc1cc(C(=O)OCC)ccc1I 1626963842 HEWMQZIWMGDLKG-GFCCVEGCSA-N 430.242 2.364 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 1630475470 JHHNQSBESLRUPM-QGZVFWFLSA-N 435.864 2.312 30 10 IEEE N#CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1630477333 BYWKLETXMOUHLQ-UHFFFAOYSA-N 433.461 2.126 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1631334941 FRARJNQIDLFLQL-ICSRJNTNSA-N 447.944 2.037 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CCN1C1CC1 1637952805 JSQIYOMYFXJTRW-RDJZCZTQSA-N 432.322 2.084 30 10 IEEE COCC#CC(=O)Nc1cc(I)cc(I)c1 1638049849 FJHQLFDVKOLIGD-UHFFFAOYSA-N 441.006 2.484 30 10 IEEE COc1cccc(C[C@@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)n2nnnc2C)c1 1639265049 AYYSBGPFSSSWQS-GMAHTHKFSA-N 445.527 2.383 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CS[C@H](Cc3ccccc3F)C(=O)N1)C2 1639989045 FYTGJHXHSYFZKQ-HZPDHXFCSA-N 430.530 2.069 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCc2c(sc(N)c2C#N)C1 1639993319 QVAVHLPPVQKPPJ-SFHVURJKSA-N 425.489 2.454 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 1643892189 DQVOGCJTUGQDIY-APWZRJJASA-N 444.582 2.197 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 1644526349 JUAZCEDWGYLFFG-UHFFFAOYSA-N 425.554 2.165 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)c1 1646283011 MZZAVFNJWHRORI-UHFFFAOYSA-N 440.521 2.090 30 10 IEEE N#Cc1cc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ncc1Br 1651448458 NYYYYQKOASNFPY-UHFFFAOYSA-N 426.252 2.014 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 1654001756 KVWWUXAVZHCCEW-MOPGFXCFSA-N 442.482 2.291 30 10 IEEE C#CCOc1ccccc1OS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1662049373 OBGQKRYKMKIDRE-RTWAWAEBSA-N 445.493 2.443 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)OCC 1670885973 IBXHVEMWXINARZ-CYBMUJFWSA-N 442.843 2.331 30 10 IEEE COCCN(C[C@H](O)C(F)(F)F)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1680304144 CWBQSHKCGRMFFT-GPANFISMSA-N 430.427 2.224 30 10 IEEE COc1ccc(C(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)c(OC)c1 1683589729 GXIGIHAVKQPHMY-IBGZPJMESA-N 434.496 2.210 30 10 IEEE Cc1nsc(N2CCN(C(=O)NC[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)c1C#N 1685039400 AUUJPCDCVPBLGH-OSYLJGHBSA-N 446.577 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)[C@H]2C1 1686626808 QOGXTCJTAVJSPJ-IMBTUZDBSA-N 426.521 2.404 30 10 IEEE C#CCCCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1689906550 NTVDWKYSHDGBLD-OFNKIYASSA-N 431.581 2.427 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccc(C)cc2n1 1689951011 JLLPFJQVDKQHCM-UHFFFAOYSA-N 434.525 2.422 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1689986239 LNEGUVVSYMMLGW-QGZVFWFLSA-N 446.573 2.396 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccsc1 1690034445 IGLFRBQHKBDDKA-VXKWHMMOSA-N 428.558 2.362 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccoc1 1690036785 ATPXSXWISZDICN-UHFFFAOYSA-N 437.525 2.300 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(Cn2cccn2)c1 1690101211 SASRVMCFHNLOGI-UHFFFAOYSA-N 428.500 2.114 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCCOC)CC1 1690113126 ABCYMAOFPVMHDP-UHFFFAOYSA-N 448.365 2.126 30 10 IEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690287824 VXYLZCZQFYAIHH-INIZCTEOSA-N 426.521 2.290 30 10 IEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690521063 OSEQWTCLOWOSBY-GOSISDBHSA-N 440.548 2.239 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1690671223 RADKHYONXCSBFR-TZIWHRDSSA-N 438.576 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1C(C)(C)C 1690731286 GTUNAPMZXSAPHG-UHFFFAOYSA-N 433.578 2.209 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690749784 PLYCEQBYPFGRHP-HNNXBMFYSA-N 446.543 2.393 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CCN1CCOC 1694923964 IAJHTTKJPNHCLX-VQTJNVASSA-N 430.528 2.348 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Cl)cn1 1705492543 SCYGKFHHPKXLQV-MRXNPFEDSA-N 439.955 2.460 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCc2ccc(OC)c(OC)c2)CC1 1705639908 YXWVVMUNFIZIQB-FQEVSTJZSA-N 439.560 2.187 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1705662153 ROYLHIPYXORZAQ-IBGZPJMESA-N 430.599 2.152 30 10 IEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705665730 CAJUKDSKWRZKPZ-MSOLQXFVSA-N 444.513 2.346 30 10 IEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705723131 BCVGQACVTLWMMM-INIZCTEOSA-N 429.912 2.336 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705822567 JLTRKPGUMJKGDD-QGZVFWFLSA-N 425.562 2.412 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705898871 AIYGMGHMMWIUKP-KRWDZBQOSA-N 443.523 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705932950 PHAMJVFYRIAPBC-DZGCQCFKSA-N 445.467 2.097 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1712625641 ZKWAOZBGGQCNTJ-YQPJHWBJSA-N 446.552 2.011 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC1CC1 1722275520 FLJDHGQOBIFFRM-HZPDHXFCSA-N 431.562 2.183 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1snnc1C 1722295503 WPMRNHOLPOUJON-CYBMUJFWSA-N 434.529 2.341 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369695 DSOWFSJQLWLYDB-VQTJNVASSA-N 445.589 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OC)CC1 1722446135 OLSOOELKHIUHQP-UHFFFAOYSA-N 445.527 2.066 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722456407 YNPMDJIVNZRXAQ-UHFFFAOYSA-N 427.578 2.368 30 10 IEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722628275 VQRCMGUERCGFJU-NHCUHLMSSA-N 432.613 2.329 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCOCC1 1722656453 VNQKHEMRYCKGHQ-LJQANCHMSA-N 426.565 2.330 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1722705519 DQCMNEOWKXQPLI-QGZVFWFLSA-N 433.516 2.405 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1722719430 UBTZLDCXYBKUKQ-JKSUJKDBSA-N 437.953 2.058 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCCCCO 1723620240 BRXPBBDUYLQTJV-HXUWFJFHSA-N 440.548 2.419 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1Cc1ccc(C#N)o1 1723928014 RQPOVOIODCFNCX-KBPBESRZSA-N 426.502 2.482 30 10 IEEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1725731071 ADWRJUWDYLSNEX-IBGZPJMESA-N 439.545 2.035 30 10 IEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1729812671 SGAROWYPORIISQ-MJGOQNOKSA-N 438.532 2.116 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCN(CC)CC1 1740543872 YANDNNBGLDCXBM-IBGZPJMESA-N 438.576 2.202 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1740551408 UMCOKNBAXAPZIN-GHTZIAJQSA-N 425.533 2.361 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CCOCC2)nc1 1740611458 FUAOSXRVVQOQRK-UHFFFAOYSA-N 432.528 2.227 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740617285 PAKCFMUJBNQOST-MRXNPFEDSA-N 449.543 2.303 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CCC1 1740900192 WCGOQKJOKHBHFS-PMERELPUSA-N 429.594 2.376 30 10 IEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1740913693 RGZFIYQAYXBIRN-UHFFFAOYSA-N 449.559 2.048 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1740937130 AZVFAUQXWYGIBE-RBUKOAKNSA-N 447.605 2.350 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C(C)C 1740937257 CWDDDYJLJVSAEU-UWJYYQICSA-N 436.578 2.415 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740999549 BNBFNXBRLKALEM-UHFFFAOYSA-N 430.582 2.238 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1741001616 ZBOWICHNGLYDBF-INIZCTEOSA-N 439.545 2.228 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1741002519 JLLVPSIQNPHSRG-CRAIPNDOSA-N 429.546 2.377 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1743886635 BIGPYOWQZLYWBJ-GAJHUEQPSA-N 438.532 2.117 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1745555370 RXLKMKNQYIROBP-GOSISDBHSA-N 440.504 2.186 30 10 IEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1747385559 CGLOTSPHRZSHQJ-QGZVFWFLSA-N 435.525 2.205 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747731447 UUHLJUDYXQJOJL-KRWDZBQOSA-N 436.497 2.201 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748802108 LDNPGFSNMVMOKY-GHTZIAJQSA-N 434.537 2.075 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748810196 SXWHHGOILSOJIY-UXHICEINSA-N 437.525 2.136 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1748913698 YIXIWRFLLMAUAC-JOCHJYFZSA-N 428.489 2.197 30 10 IEEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC)nc2OC)c1 1748932952 DGFQIDVWJDFPJE-GOSISDBHSA-N 436.472 2.143 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)[C@@H](C)CCC)CC1 1748984816 SARPIMABLCVLEA-IBGZPJMESA-N 433.560 2.124 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1749049229 ZRALWYQCRHKEDE-MRXNPFEDSA-N 432.546 2.252 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749211183 VLXLGDTZJUZQAN-HXUWFJFHSA-N 430.597 2.419 30 10 IEEE C=CCCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1749407899 AKSDLMXEZWVRKL-MIZPHKNDSA-N 433.597 2.443 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCO[C@@H]1C(C)C 1750030980 SXVIDUQGNVYAMY-KOUHRCEDSA-N 446.596 2.240 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1760114743 SBLGANZDVWMVES-IRXDYDNUSA-N 435.532 2.020 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1C[C@H](c2ccccc2F)C1 1760195039 VLORGZAHLFHSKM-ULQDDVLXSA-N 429.521 2.219 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)C(C)C)CC1 1760271995 UXTXIVAKWBXASA-QFIPXVFZSA-N 444.605 2.007 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(CCC)C(=O)C1 1760301821 LDRSTMZFELJDHF-OAHLLOKOSA-N 444.374 2.359 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760407336 ACSKSVRCVVWRNY-KRWDZBQOSA-N 429.569 2.157 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCOC[C@@H]1C 1760553314 RFMWDTHVZQWADR-INIZCTEOSA-N 427.530 2.319 30 10 IEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760565535 ZASUQQLRTBLMNQ-IBGZPJMESA-N 449.621 2.167 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1[C@@H]1C[C@H]1CF 1761473398 PEGBJMMJXYPGFI-QANKJYHBSA-N 432.525 2.459 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCOCC1 1763654618 IVGQFWGJMDKMHS-CVEARBPZSA-N 425.537 2.047 30 10 IEEE CCc1nc(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cs1 1764651317 SIHWYWZLWJKNHB-MAUKXSAKSA-N 445.593 2.246 30 10 IEEE CCN(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1764924824 AZQBDSRYMFVEMO-SFTDATJTSA-N 434.548 2.490 30 10 IEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1768462709 DUIBEBFKHVAXJJ-UHFFFAOYSA-N 426.521 2.211 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCc1cccc(C(N)=O)c1 1770190459 YVGZZUXUPXSLSV-PMACEKPBSA-N 438.532 2.084 30 10 IEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1770332329 FHOJGDUOEMROMM-UHFFFAOYSA-N 425.461 2.009 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1770681566 HKGBUFQPFGPHMX-INIZCTEOSA-N 438.532 2.103 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(=O)NCC2CC2)c1 1770735160 DUUFLMYDAICVBV-MRXNPFEDSA-N 434.422 2.110 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCCC1 1771099808 BCTARIKVSKTOPC-LJQANCHMSA-N 438.532 2.059 30 10 IEEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1772515804 YVHJMESXBVLCCN-JOCHJYFZSA-N 447.587 2.449 30 10 IEEE CCOc1ccc(-n2nnc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)c2CC)cc1 1851373081 XQIYKAGFDIWUNE-GOSISDBHSA-N 434.456 2.472 30 10 IEEE N#CCCN(CCC#N)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1851472335 FEWPGDLPMUZSAH-MRXNPFEDSA-N 439.335 2.258 30 10 IEEE N#CCOc1ccccc1C(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 1851885101 NGUMSPSBMVEMLM-UHFFFAOYSA-N 429.274 2.345 30 10 IEEE CCc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)cc1 1851938109 CCCXHDMTVUAIBU-UHFFFAOYSA-N 445.527 2.384 30 10 IEEE COc1ccc(-c2nc(-c3ccccn3)nc(N(C)C(=O)[C@H]3COCCO3)c2C#N)cc1 1852320717 NHELOEDLSBSEKT-LJQANCHMSA-N 431.452 2.464 30 10 IEEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)c1 1852387529 ONBCCFHPUZXZAZ-UHFFFAOYSA-N 428.514 2.135 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)cc1 1852512956 UNQRWZVSLSYTFC-UHFFFAOYSA-N 443.916 2.315 30 10 IEEE CC(C)[C@@H](C(=O)N(CCC#N)c1cccc(Br)c1)N1CCS(=O)(=O)CC1 1853350465 SQYQAIUPTHYMQA-KRWDZBQOSA-N 442.379 2.451 30 10 IEEE CCOC(F)(F)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1854889651 ZRSLKDBTGMHMIB-MRXNPFEDSA-N 441.456 2.188 30 10 IEEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)[C@@H](C)C2=O)cc1C#N 1855027076 QYJDXCWZYLVIJD-ZDUSSCGKSA-N 433.436 2.207 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc3c(c2)OCCO3)cc1C 1862404548 DLCSYFKCZDZIKA-FQEVSTJZSA-N 425.437 2.345 30 10 IEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862564166 UKTDXJSGCSUXHR-IBGZPJMESA-N 440.456 2.413 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN(CC)CCO 1870646742 GLQBZXNZQJTMTI-UHFFFAOYSA-N 427.501 2.069 30 10 IEEE C=CCOc1cn(CCCN2CCOCC2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870812645 YJWWIMLGSZKVTQ-UHFFFAOYSA-N 427.501 2.476 30 10 IEEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)C1 1891282019 GVECDYYKANLVTF-YADHBBJMSA-N 449.536 2.033 30 10 IEEE COc1ccc(-c2cc(=O)n(CC(=O)NCC#CCOc3ccccc3OC)cn2)cc1 1891813473 SPNBDDONUDYFTP-UHFFFAOYSA-N 433.464 2.126 30 10 IEEE Cn1nc(Br)cc1S(=O)(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132682268 COORPRFIVNDKOT-UHFFFAOYSA-N 432.149 2.135 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2232314954 ZUELFXHVBMCNHV-IAGOWNOFSA-N 445.369 2.453 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2244373920 RJCYNCBOJMEKLM-VFNWGFHPSA-N 427.542 2.286 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2247906331 YUAZHHKRJWYCKD-HZPDHXFCSA-N 442.387 2.303 30 10 IEEE C=C(CS(=O)(=O)NC[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247960890 ABZVQIVVOLXXIO-QRWLVFNGSA-N 442.387 2.350 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H]1O 2254803931 VKAGZJVOGYVVFC-OIISXLGYSA-N 433.358 2.457 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2255626850 LELZUQDDZIFYEC-OAHLLOKOSA-N 434.346 2.084 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)NCCCOCCOCc2ccccc2)OC1(C)C 2255629530 XBOICWJOSJPTDB-UHFFFAOYSA-N 429.326 2.062 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCNC(=O)OC(C)(C)C 2255634114 MIPMRTCZOKISDN-UHFFFAOYSA-N 436.362 2.062 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255647804 DIORMJQUHISEDT-CQSZACIVSA-N 435.305 2.259 30 10 IEEE CCn1cc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255650958 SQUKMJKYRJSLJK-KRWDZBQOSA-N 426.370 2.453 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255701575 SYYMDUXBOLFGOW-GJZGRUSLSA-N 437.321 2.391 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267135050 XZHSMDZSSIYVBX-YLJYHZDGSA-N 438.381 2.360 30 10 IEEE CCc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267146014 IHEJLCMORXCWAH-CQSZACIVSA-N 448.373 2.021 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188574 OCDKVDOKPPPUFC-GOEBONIOSA-N 448.373 2.095 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267191891 JJAYZPSCNZPBGW-XLIONFOSSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267497098 ITPUQLJJRQHMHY-MIFYACCESA-N 447.316 2.115 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519566 IHBKBTNVEHYMGR-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267597088 SYYSHXBDYJWTSY-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE O=C(O)CN1C(=O)C(=O)C(=C(O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 2296929584 LUAZUANTMXRDIM-INIZCTEOSA-N 427.325 2.009 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCCO)n3N=Cc3ccc[nH]3)CC2=O)cc1 2325882511 RZOYMNYECNGZHS-HNNXBMFYSA-N 440.529 2.492 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccnc1 2328988578 GBJDGTKGBCNKCD-QGZVFWFLSA-N 443.577 2.240 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(O)c1 2330733877 WGFXQVITZNCTJQ-UHFFFAOYSA-N 442.476 2.372 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2337300646 FABWQCFWDRJLFS-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE Cc1cc(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343650050 SAQLYALSYHKVGC-SFHVURJKSA-N 448.369 2.186 30 10 IEEE Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)c1 20291798 NRWBJCGUWVHJGC-KEBDBYFISA-N 426.462 2.385 30 10 IEEE O=C1/C(=C\c2ccc3c(c2)OCO3)Oc2cc(OCC(=O)N3CCC[C@H]3C(=O)O)ccc21 33490926 YOWHBXKWZNEWRN-FCASDWRQSA-N 437.404 2.486 30 10 IEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCCO2 72461362 WOAFWHNWQNXTPH-PBHICJAKSA-N 433.424 2.360 30 10 IEEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1 102718679 COJZTGBEKIEWQX-VFJWVMJUSA-N 449.507 2.400 30 10 IEEE COCCCNC(=O)c1c(N)n(N=Cc2ccc(O)c(O)c2)c2nc3ccccc3nc12 254485071 CDMJCCZXHHLOOM-UHFFFAOYSA-N 434.456 2.226 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cccs2)C1 256034266 ZCNRFIPXDCQOJG-MBNYWOFBSA-N 427.486 2.247 30 10 IEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(C)C 447780438 QIFKINVWUKOBIE-UHFFFAOYSA-N 449.580 2.027 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 475311861 WGLHUJXTGGABNU-LSTHTHJFSA-N 428.500 2.310 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 476771060 AHJWUCAHDBLCRQ-RXVVDRJESA-N 449.511 2.165 30 10 IEEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 477357972 HOFBYOBSJYYKJO-UHFFFAOYSA-N 446.507 2.246 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 479040968 HQMQCKMTDSWBBX-JOCHJYFZSA-N 435.503 2.326 30 10 IEEE COc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1F 505122465 BNNPFNUGYGVQLQ-UHFFFAOYSA-N 431.489 2.172 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508509800 PCQWPKBOANLVAC-APWZRJJASA-N 435.488 2.360 30 10 IEEE Cc1ccc(OCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 509857301 YDHATGQSLZRTAP-UHFFFAOYSA-N 442.541 2.352 30 10 IEEE FC(F)CN1CCN(c2cc(C(F)(F)F)nc(N3CCN(CC(F)F)CC3)n2)CC1 525193352 LFQVSYGQUMFCPW-UHFFFAOYSA-N 444.399 2.270 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 533239022 UGMHCSFJPHGJND-UHFFFAOYSA-N 441.538 2.113 30 10 IEEE CN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CCN(S(C)(=O)=O)CC1 542030074 JLUBVGMEIDDXQU-UHFFFAOYSA-N 436.925 2.285 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2C1=O 554831038 YSXFGXGUBHNAKH-LJQANCHMSA-N 431.492 2.432 30 10 IEEE N#Cc1ccnc(OC2CN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1 585249619 ULFYHQAGYBTEON-UHFFFAOYSA-N 426.498 2.031 30 10 IEEE C=CCc1cc(CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(OC)c1OC 589216951 RKMVBOYURRHEMM-LJQANCHMSA-N 431.533 2.213 30 10 IEEE C=C(C)CN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2nnc(C)s2)c1 646467677 CJWWSTWVBRVIPJ-UHFFFAOYSA-N 430.577 2.258 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(NC(=O)COC)CC1 669806538 FSKAINJXEAAKNK-FPOVZHCZSA-N 425.533 2.441 30 10 IEEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccccc2)C1=O 730144022 GUMKNXBMUSHOEO-HZYJKNPPSA-N 439.585 2.192 30 10 IEEE N#C[C@@H]1CN(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)CCN1C1CC1 732700866 SRIMUIQIOKLNSF-JOCHJYFZSA-N 432.528 2.383 30 10 IEEE C=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 734022919 NLZTWGSCWXJEDI-OKILXGFUSA-N 445.921 2.414 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 744782211 YPGIDGQOUKQTTJ-DOXZYTNZSA-N 441.575 2.277 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 748396003 TXAPXSLCEWMOLN-UHFFFAOYSA-N 440.481 2.133 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 748402804 SVIKJUQFBNXEAI-UHFFFAOYSA-N 427.482 2.447 30 10 IEEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 752617143 VSOPQRURFLYZFM-XJKSGUPXSA-N 435.527 2.225 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 758577166 LJNVILOSAUVUTM-FUHWJXTLSA-N 443.548 2.265 30 10 IEEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 771540435 JFKRIYWDEPWDAZ-GOSISDBHSA-N 449.540 2.206 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 780032991 QXPSAITYENPXTG-BNCSFYMNSA-N 438.509 2.255 30 10 IEEE COc1ccc(N2CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 780180135 OTPQLANTQUOWQI-QHCPKHFHSA-N 445.516 2.149 30 10 IEEE C[C@@H](OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)NC1(C#N)CCCCC1 780255557 QNHWQXMASSBBRZ-HXOBKFHXSA-N 443.500 2.346 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782417690 DVMFEDCMKYFPJV-ZSEKCTLFSA-N 433.509 2.303 30 10 IEEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc32)n1 788370653 WEDVTIKMXOSPMV-UHFFFAOYSA-N 436.390 2.050 30 10 IEEE CC(=O)NCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 790865429 XZJMXWYYLUXRFP-UHFFFAOYSA-N 431.417 2.393 30 10 IEEE N#CCC1(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)S/C2=N\CCc2ccccn2)CC1 797424740 BTXGKKBTUKESCG-BZIHZDCZSA-N 449.540 2.437 30 10 IEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 800772967 WQAULFCZVPSCGS-LJQANCHMSA-N 445.999 2.411 30 10 IEEE C#CCC(CC#C)C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 803697806 SOFSCKXOKGRKMO-UHFFFAOYSA-N 433.302 2.360 30 10 IEEE CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)NCc2ccc(C#N)cc2F)cn1 804161781 BTSMVQOYWVULHJ-JOCHJYFZSA-N 449.486 2.292 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@H](O)c1ccc2c(c1)OCO2 805082667 UYXUIRCHHFYNPQ-BTDLBPIBSA-N 439.287 2.450 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 916775569 XIYWJRAWYBTPAP-KRWDZBQOSA-N 431.901 2.206 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1c(=O)n(C)c2ccccc21 928979026 BHMICJUQZPEEHA-INIZCTEOSA-N 436.468 2.227 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 1124731104 BXSJOKJYIHFCSD-QGZVFWFLSA-N 439.537 2.473 30 10 IEEE CS(=O)(=O)C[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1141530393 QQXONXWCNATDNT-CYBMUJFWSA-N 440.363 2.040 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 1147283948 ZVZNRUKPHYSSRD-UHFFFAOYSA-N 439.537 2.471 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)n1ncc(C#N)c1N 1149425106 QFUUYGJXGSUGEU-CYBMUJFWSA-N 448.357 2.384 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4cccc(C#N)c4[N+](=O)[O-])C3)[C@@H]2C1 1187422310 GYALWWQFFJQWLP-OIISXLGYSA-N 443.460 2.485 30 10 IEEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCO1 1196554708 XNJUICMFVXTFPB-RCDICMHDSA-N 449.573 2.495 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](CNC(=O)NC)C1 1219084772 YPKHHFIXNZZASA-CYBMUJFWSA-N 427.299 2.176 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(N4CCC(O)CC4)cc3)C2=O)cc1 1248375868 PZSNXRUCEVMKFG-QHCPKHFHSA-N 447.539 2.120 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1286279689 WOGNGZMLQMCXFM-UONOGXRCSA-N 425.942 2.079 30 10 IEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCc1ccco1 1286414835 BDIJMYNEXKYVEL-UHFFFAOYSA-N 431.496 2.456 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccnc(OC(F)F)c2)CC1 1286477209 RQKGXKKQJNHEGE-UHFFFAOYSA-N 425.443 2.140 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCSCC(F)(F)F)CC1 1286494837 TYSIMNLXNVTABR-UHFFFAOYSA-N 429.512 2.492 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)nc2)C1 1286814434 SDBGOOJXRPFNGX-NSHGMRRFSA-N 429.521 2.235 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1286823840 QPDATEUSYQDLBV-UHFFFAOYSA-N 443.577 2.149 30 10 IEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)s1 1289655720 QELTYMJBISSGOG-UHFFFAOYSA-N 437.529 2.370 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cs1 1290418231 SJUSSBDFHLFISP-MAUKXSAKSA-N 438.554 2.043 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291806404 UNJLSPZBUHZNIW-CQSZACIVSA-N 434.504 2.113 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 1292616271 JWLCJDFSKZQVJL-UHFFFAOYSA-N 446.475 2.360 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(Br)CC1 1299011341 QMNSEDLHNUWGHZ-CYBMUJFWSA-N 428.352 2.184 30 10 IEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1299551832 DBORZCNSDKBUAO-FXAWDEMLSA-N 437.548 2.434 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300314269 CXBXMZCAHSTGBY-WMZOPIPTSA-N 436.482 2.375 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1300409082 PDBSWBMPAAAAQD-VXKWHMMOSA-N 444.624 2.164 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300496087 NXBRHCHVGIBFHY-XLIONFOSSA-N 436.603 2.073 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1300848186 BLVFCCOTPYZWJE-HUUCEWRRSA-N 426.359 2.432 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300879376 CVGPUJKBUZLXBL-IMJJTQAJSA-N 426.443 2.427 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1300989955 AKOLDZCXSLIQSH-PBYQXAPXSA-N 431.562 2.196 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1301410396 FAMMXQGWHUHMHH-NOVUIFNWSA-N 431.562 2.359 30 10 IEEE COCCN1C[C@@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1301861975 BSWPLYZUXICZQF-CVDCTZTESA-N 440.523 2.000 30 10 IEEE CS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1 1302499849 CMZDCXDEASIUJU-UHFFFAOYSA-N 441.561 2.029 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)OC(C)(C)C 1302644087 KVWLMHCSDKRTFJ-UHFFFAOYSA-N 427.509 2.461 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1O 1302842282 OPEMLRSPETYOAB-QWZAPTKDSA-N 443.573 2.237 30 10 IEEE C#CC1(O)CN(C(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)C1 1304596529 RRKHEBRLUGDGNB-UHFFFAOYSA-N 434.521 2.453 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)CN1CCCC1 1306199504 GBFLZECRWCLNFJ-SFHVURJKSA-N 437.596 2.339 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1N1CCOCC1 1358937316 QCHJOWYBDLMNHH-UHFFFAOYSA-N 445.527 2.188 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1358948831 MMTGDUHTODSNOR-LJQANCHMSA-N 427.574 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1NC(=O)CC1(C)C 1358994849 XQKFFTJZOKSUMZ-WOJBJXKFSA-N 433.512 2.168 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1359008061 FPSRFCNYATZXGN-IXDOHACOSA-N 430.553 2.334 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)C1CCCCC1 1359023525 NADICKYORQJGII-HSZRJFAPSA-N 443.548 2.423 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([S@@](C)=O)CC2)CC1 1359032440 OFJYMCKOCWLDCF-SSEXGKCCSA-N 447.992 2.273 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1359070940 YMQZAOZLCJOQFU-DCXXXQMHSA-N 435.594 2.039 30 10 IEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1359202172 LMQYOKIRRHAQTR-INIZCTEOSA-N 435.532 2.343 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1359469717 JUBBLTHHFUMKID-MRXNPFEDSA-N 426.521 2.474 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1360393689 VAIXVBAWAPQGBH-IBGZPJMESA-N 438.532 2.355 30 10 IEEE O=C(Cn1nc2ccccn2c1=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1439786369 FAQPYVITPOLSLX-RKDXNWHRSA-N 444.282 2.125 30 10 IEEE C=CCOc1ccccc1CN(C(=O)Cn1c(O)nnc1O)c1ccc2c(c1)OCCO2 1443636886 RNRJKUJYNSREAH-UHFFFAOYSA-N 438.440 2.259 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)C2)c2ccccc12 1445692504 RTFPZRRPSVLANW-GOSISDBHSA-N 448.523 2.285 30 10 IEEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1447486971 QKSKYAQXSAPADV-QWHCGFSZSA-N 434.497 2.256 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1460217661 YCGOHKLWZBNSAQ-MRXNPFEDSA-N 446.573 2.363 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)s1 1465224080 JTEFKLPAZMPDEC-CQSZACIVSA-N 445.607 2.374 30 10 IEEE Cc1c(Br)cc(I)cc1C(=O)N[C@H]1CCN(O)C1=O 1468372070 AXAGYOUKXDINEE-JTQLQIEISA-N 439.047 2.082 30 10 IEEE CCc1ccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(CC)CC)cc1 1470355595 KWBABJBTQLGDFH-JAXLGGSGSA-N 432.590 2.212 30 10 IEEE COc1cnc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1O 1472259149 VUWBJWHGBROSLV-INIZCTEOSA-N 430.486 2.246 30 10 IEEE N#Cc1ccc(CCNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 1475488783 IBYNWPNPVXMJRV-UHFFFAOYSA-N 436.287 2.173 30 10 IEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1507565379 AGATUKKFNYOBSC-UHFFFAOYSA-N 432.528 2.337 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507625703 KVMAWBCPZCDUCI-VXKWHMMOSA-N 441.601 2.124 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507627075 IJPZXSRVBCVVAT-HKUYNNGSSA-N 444.557 2.007 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1507663276 VTRBDIAGLOBLMF-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1507873665 DHCXJBDPWAEUDA-UWJYYQICSA-N 437.972 2.425 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCOCCS(C)(=O)=O 1507970645 LQXYHVWDFWHCIT-UHFFFAOYSA-N 443.367 2.391 30 10 IEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O)C1CC1 1507995744 NEXHXEZPUINGDJ-GASCZTMLSA-N 439.582 2.248 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1508071641 AYAPUFOYBGFVPC-HNNXBMFYSA-N 428.537 2.394 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCOC(C)(C)C 1508084388 NPQASOZQPTZNEB-UHFFFAOYSA-N 425.537 2.070 30 10 IEEE CC1(C)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1510332480 XEYIGZPWBFBODM-MRCUWXFGSA-N 435.532 2.417 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOc2ccccc2)CCOC1 1516229061 PGDOIEWMGCVNED-DENIHFKCSA-N 427.505 2.128 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1517472847 CVURLGHJVFBTCX-UGDMGKLASA-N 442.589 2.326 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)c(OC)c1 1521577666 DYCKZQFUZHJRAK-UHFFFAOYSA-N 445.497 2.239 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1540164979 ZKNQDZRMJJKEEX-UHFFFAOYSA-N 429.431 2.154 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCOC2)C1 1540894936 HSHXGUFXIMKIQR-IRXDYDNUSA-N 431.562 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540903063 XTYVRMMOGBCDSJ-MOPGFXCFSA-N 448.593 2.467 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1=CCCOC1 1541681766 XBFPDVFBJRMQIQ-FQEVSTJZSA-N 436.516 2.213 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)COCC 1548175729 UNBCLRSJFKUKKK-UHFFFAOYSA-N 427.553 2.471 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1554207371 KRABTWQQENONPW-UHFFFAOYSA-N 430.459 2.157 30 10 IEEE COC(OC)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 1554672725 BUXKQXRONSYISI-OAQYLSRUSA-N 430.484 2.198 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)C2)c1 1557719219 UPDIYHUJGTWIAL-FQEVSTJZSA-N 438.553 2.423 30 10 IEEE C#CCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1560141484 VVVNWVNBZAVPKN-UHFFFAOYSA-N 449.573 2.363 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](F)C[C@H]3C(F)(F)F)CC2)cc1 1586527189 GPUXQPSRLHJSLM-HOCLYGCPSA-N 433.427 2.460 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC(c2nn[nH]n2)CC1 1587876262 XWWQJNVWNLCGQI-SFHVURJKSA-N 437.504 2.312 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)Cc2ccccc2C1 1588263181 QUCXDUGGGICMMO-UHFFFAOYSA-N 443.555 2.484 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCC1 1588275777 BEEUNYBQKQPZPL-UHFFFAOYSA-N 443.621 2.492 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2Cl)CC1 1588733488 VDGOOKXBAPUPGA-UHFFFAOYSA-N 426.952 2.165 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCOC2)CC1 1588790971 IXRNNXSLMOPVGU-SFHVURJKSA-N 425.533 2.144 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccccc2)CC1 1588913232 CYEMRIGUFNIYRY-RUZDIDTESA-N 446.555 2.157 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2=CCCOC2)CC1 1588946746 HZYBOPPIPPVQOK-UHFFFAOYSA-N 433.556 2.490 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1589042870 QDNFJWUDKBICBW-GOSISDBHSA-N 438.557 2.422 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1COc2ccccc2O1 1593690455 LZPJTJMSUYCCEK-KRWDZBQOSA-N 429.521 2.285 30 10 IEEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC)C1CC1 1595054596 NCYGLWZRKCEPDI-PMERELPUSA-N 429.594 2.376 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1595516922 LWGZUEBNICTBKY-CJNGLKHVSA-N 434.422 2.275 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)C1 1595789729 ARISNJOMPZMVQV-GOSISDBHSA-N 441.509 2.044 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cnc(C)s1 1595812444 UBHGIDSBBORLKV-UHFFFAOYSA-N 432.575 2.266 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)F)[C@H](C#N)C1 1611244193 GXDGEZVDGJDHHZ-DGCLKSJQSA-N 429.445 2.172 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1611798544 WMXDCLZMSWGSCX-IBGZPJMESA-N 427.505 2.149 30 10 IEEE N#Cc1ncc(N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)nc1C#N 1612344846 CKLCHJYNOAINDU-ZDUSSCGKSA-N 447.318 2.248 30 10 IEEE CCOCc1nnc(N2CCC(C#N)CC2)n1CCCN1CCN(c2ccncc2)CC1 1616747590 BHZJEDUCQUGZPJ-UHFFFAOYSA-N 438.580 2.162 30 10 IEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1618632960 IFYYKHWRRCAULO-DRKIFQHWSA-N 440.573 2.080 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C[C@@H](C)O1 1619737814 UCUZFPPPYIXJAO-UIFIKXQLSA-N 441.532 2.252 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1619844771 CAUTXWTZTPVGIN-YLJYHZDGSA-N 440.548 2.221 30 10 IEEE C=CCn1cc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)nn1 1626977594 ZQYMSXGOPOONKD-HXUWFJFHSA-N 427.530 2.237 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)CC2)cc1 1629484710 CDRUGXYLTDTUIT-UHFFFAOYSA-N 437.525 2.309 30 10 IEEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1632040561 VNXIFNMBWFHLDQ-UHFFFAOYSA-N 444.488 2.144 30 10 IEEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1632980637 XDLTXDPKAORZQG-LJQANCHMSA-N 426.561 2.055 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2sccc2Br)cc1 1633247804 DBQNABWVVNHZTN-UHFFFAOYSA-N 428.333 2.019 30 10 IEEE N#CCNC(=O)CNC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1634921828 IXMVNRQZJUXJKA-UHFFFAOYSA-N 446.507 2.403 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOc2cccc(C(F)(F)F)n2)s1 1637924929 HRNQSROUJUALCC-UHFFFAOYSA-N 449.476 2.364 30 10 IEEE COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccncc1 1639343972 BHCMSTOJYMCJEX-MAUKXSAKSA-N 426.860 2.380 30 10 IEEE C=CC[C@H](C(=O)OC)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1645311418 AGAAQPRQIKAXBX-OAHLLOKOSA-N 434.352 2.422 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(Cl)ccc2s1 1689945643 GVQXOAKENYYUKS-NSHDSACASA-N 438.966 2.269 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCC)CC1 1689961229 PKSZOHZYHUZJTR-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1690019617 NEPFXNJLPABCSH-KRWDZBQOSA-N 448.495 2.097 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1690170331 FVWXESRPAFHWHU-QGZVFWFLSA-N 428.518 2.183 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690181494 ZZAARNXTXRBCBQ-GOSISDBHSA-N 425.558 2.077 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1690182794 GULSVIMBYLFFRN-LJQANCHMSA-N 444.605 2.280 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690449761 QGEOUVLEFOCLPB-INIZCTEOSA-N 430.557 2.347 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1690480288 DZQIKCGAJUQOSD-IRXDYDNUSA-N 438.532 2.398 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1690507573 PRLILRWJADHRQL-SFHVURJKSA-N 428.512 2.288 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1690578093 QRGGJZJIBJSWHV-INIZCTEOSA-N 432.575 2.216 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1690672804 DOMXPGKSPISUBU-UHFFFAOYSA-N 438.576 2.221 30 10 IEEE CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1cccnc1 1691579186 AUOGALFBEYBZHW-RTBURBONSA-N 446.515 2.489 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1705612759 OPRCSFWJSUENMR-KRWDZBQOSA-N 426.546 2.080 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1705614602 OJHXSRKQFUAXRZ-GOSISDBHSA-N 443.552 2.333 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCN(CC)C2)CC1 1705640128 GDXOJGXAWGHLEK-SFHVURJKSA-N 428.531 2.244 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705658201 IDZOUMNROAYDQC-UHFFFAOYSA-N 433.541 2.064 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1705792498 UTOWUOXVNKYTRG-ROUUACIJSA-N 440.610 2.414 30 10 IEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705905779 GPZXTFPADIRSAB-UHFFFAOYSA-N 442.524 2.259 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C1 1705927368 XMMGGADRXKXFGY-OAQYLSRUSA-N 442.560 2.395 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705943833 LMTMLLCIRWFKCS-MRXNPFEDSA-N 436.607 2.086 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCc1nccc(C(F)(F)F)n1 1706595596 ZGJORZOTCHHCFJ-UHFFFAOYSA-N 436.442 2.208 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1OCC[C@H]1C 1706626199 FFNCDMJDINFXEF-NSISKUIASA-N 438.532 2.291 30 10 IEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC)OC 1709520600 FEDVDZVLRPVTFX-RTBURBONSA-N 426.521 2.259 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1711085835 UCOVCESOWQRACR-IBGZPJMESA-N 431.500 2.222 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1712679497 HVFGPFYBSZEMIR-SFHVURJKSA-N 426.521 2.116 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(F)(F)C1 1712912731 GMLPLUBVYVQXSO-HNENSFHCSA-N 446.433 2.380 30 10 IEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722337775 APQIUCCAWYQACK-FQEVSTJZSA-N 434.544 2.340 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1 1722380589 QUYBZHXARUSKIU-UHFFFAOYSA-N 443.555 2.141 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)Cc1ccccc1 1722395879 SKEUFLYQYXJGJU-UHFFFAOYSA-N 435.553 2.362 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C2CC2)N(C)C)CC1 1722449261 OUYRJMOWGVXICV-FQEVSTJZSA-N 440.617 2.236 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCOCC2)C1 1722452695 JITOOYCRVAUNRJ-UHFFFAOYSA-N 426.546 2.299 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1722464378 DLHDHRXUWSDHIN-YQVWRLOYSA-N 431.606 2.374 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722627739 NKQCOCASCVAPMI-LJQANCHMSA-N 446.502 2.427 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)NCC)CCC1 1722632537 XTDLFKBYQVXZRK-UHFFFAOYSA-N 431.562 2.277 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722690659 LQUCRBDVQIJLNQ-IKGGRYGDSA-N 430.553 2.499 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCc2cccs2)CC1 1722696897 CGQLTKMIDIKYEO-UHFFFAOYSA-N 437.573 2.069 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1722698222 WICJSLPWZUSOOE-RBUKOAKNSA-N 440.596 2.072 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722725200 LRAODWBUCYXQRL-IYBDPMFKSA-N 432.550 2.009 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)C[C@H]1O 1729783484 YLIUNBIDZFKURT-BHIYHBOVSA-N 441.557 2.320 30 10 IEEE CSC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1731028582 BKONNOFBNXNEMU-QGZVFWFLSA-N 442.593 2.322 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740589194 QYUCORHGWUVVSL-HNNXBMFYSA-N 428.493 2.134 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1740636780 CROKMBJJLUCZTJ-SFHVURJKSA-N 435.553 2.477 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(COCC(F)(F)F)cc1 1740638974 OQXUZYLCAQZMNQ-GOSISDBHSA-N 445.445 2.429 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C(C)C)C(C)C 1740657143 QNFQACUMOJUOFG-HXUWFJFHSA-N 433.622 2.152 30 10 IEEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCN1CCN(Cc2ccccc2)CC1 1740667830 RNPPEMXKYCEPPD-UHFFFAOYSA-N 430.560 2.012 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCn1cc([C@H]2CCOC2)cn1 1740725910 RCWOZZPFEUCNIM-SELNLUPBSA-N 442.564 2.395 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1740732339 ZKLPHMPSIMBVCR-SIKLNZKXSA-N 433.622 2.294 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F 1740941350 ITUKPOTXJGFOAR-OAHLLOKOSA-N 440.516 2.340 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740971119 JJBQNNCVDXLXFT-KRWDZBQOSA-N 445.589 2.314 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@](C)(O)c2ccccc2)C1 1740979974 MFNWPNREYNPJAU-PWHSHALESA-N 425.533 2.308 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)C1 1740984973 MZCZBXQUSNKLHC-IBGZPJMESA-N 438.532 2.282 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1748303595 JZQHAXBQYTYACW-AVRDEDQJSA-N 425.489 2.012 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1748702693 AWQXZDFBUBXXOK-GOSISDBHSA-N 431.562 2.224 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@H](C)C1 1748735309 FYSXAFOCYCEOQC-QGZVFWFLSA-N 443.621 2.490 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1748747030 BFEYXNGXWNANLD-MRXNPFEDSA-N 426.521 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(COC)CCOCC1 1748837832 OKMIAHVHBAIFNH-UHFFFAOYSA-N 436.512 2.232 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1748844054 NGYSFZCZGOSOCP-KRWDZBQOSA-N 441.919 2.411 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(F)(F)F)c1 1748844306 QYZCTFGNZLLRDS-QGZVFWFLSA-N 431.418 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Br)n1 1748875081 ITWBCEAYXADLPH-UHFFFAOYSA-N 429.322 2.085 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748887721 GIXYJCFGJYVXQE-UHFFFAOYSA-N 425.558 2.307 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2nc(C)no2)CC1 1748983483 PXQVIHLQCUVDPZ-UHFFFAOYSA-N 426.912 2.073 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749019572 AAMBYLAVIWSMGL-UHFFFAOYSA-N 448.543 2.388 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1749368811 QVGLKGKNUBKPRQ-ZWKOTPCHSA-N 440.610 2.413 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749428839 CHEKCPBEQXMSQT-AWEZNQCLSA-N 428.459 2.090 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1ccnc1C 1749532615 UUWHNXCJIILLGS-FQEVSTJZSA-N 430.516 2.499 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1750033917 LFAMUMNJQJKXDI-NRFANRHFSA-N 447.547 2.393 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1751090243 ZJBLSIUJWDTXGG-ZDUSSCGKSA-N 432.326 2.458 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1751098511 HZOSNKMUBAVSFJ-GJZGRUSLSA-N 429.529 2.265 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCN(CC)CC1 1760122120 XJZHLZQISGOMIS-WOJBJXKFSA-N 434.592 2.001 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(OC)C1CC1 1760172999 GGKRLJBTWFHXIU-NRFANRHFSA-N 431.562 2.080 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1760185225 SOBBGVHIFDMOKL-MRXNPFEDSA-N 444.948 2.191 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1760208549 VOZAXSVTQFTPMN-IBGZPJMESA-N 437.548 2.399 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760267067 TYKDONUOSLVTDC-MJGOQNOKSA-N 425.533 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCc2nccnc2C)CC1 1760267106 FFVPJNQEXHOQMW-UHFFFAOYSA-N 429.528 2.252 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1760288676 IGACXQDDTBNMEK-CSODHUTKSA-N 431.562 2.348 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760347767 WNPVVDBILRFVJA-NRFANRHFSA-N 430.578 2.147 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760429753 OFGQFGMMBBFOGX-OAQYLSRUSA-N 428.562 2.342 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760527887 LLNZVFXAOQHCDH-QGZVFWFLSA-N 442.589 2.238 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760528112 SEXLMSKAPWVGAR-LIMIJEPZSA-N 439.560 2.319 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760564080 OESLELINUOLTNN-FQEVSTJZSA-N 428.566 2.083 30 10 IEEE CCCc1nc(C)c(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)o1 1763938703 ZDUUOQCJFDBPKG-VGOFRKELSA-N 444.536 2.345 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1cccc(F)c1 1766885792 DWYBZOURKRTSOZ-GCJKJVERSA-N 443.502 2.398 30 10 IEEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1768161980 JLOHKMXHKFESII-UHFFFAOYSA-N 437.548 2.025 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCCCC2)CCO1 1771535898 CGRWWUTVZWFCDN-IBGZPJMESA-N 425.493 2.458 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)CN1CCN(CC)CC1 1772515453 GWUPDRMHXBYRPF-OAQYLSRUSA-N 446.603 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC[C@@H]1C 1772516539 KVFXSXBHCMTTRS-FQEVSTJZSA-N 437.544 2.049 30 10 IEEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1854591408 YFFLBAMTJGSZLS-WOJBJXKFSA-N 431.558 2.031 30 10 IEEE C[C@H]1C(=O)N(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CCN1S(=O)(=O)CC#N 1854787592 QQOSCUOCQPPUNK-HNAYVOBHSA-N 445.928 2.385 30 10 IEEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1 1855718467 UIKSLTNKGCJNNT-OAHLLOKOSA-N 427.482 2.019 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)CC#N)C(=O)O3)CC2)cc1Cl 1856213480 URZIVJZSRFVFLH-MRXNPFEDSA-N 425.894 2.310 30 10 IEEE N#Cc1ccccc1NC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 1860595155 FLHNEZFEOJKLCO-UHFFFAOYSA-N 430.464 2.422 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCNC=O)cc1O 1862420201 FJDYBLDHVOTCSN-LJQANCHMSA-N 446.406 2.393 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc1 1862626416 AXZCPAYAGJHWOR-FQEVSTJZSA-N 438.436 2.138 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCc2cnc[nH]2)=C(N)Oc2c1c(C)nn2C 1864318082 PHYCOQNJKKPGMG-IBGZPJMESA-N 434.500 2.070 30 10 IEEE C/C(=C\C(=O)N[C@H](C)C(=O)Nc1ccccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 1867073670 CRCPSMVRDVWPKY-ASNKMWSDSA-N 440.525 2.355 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(OC)c3)CC2=O)cc1 1870110733 GMUFCZISHGIGSG-INIZCTEOSA-N 446.467 2.207 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4nc[nH]c4c3)CC2=O)cc1 1870159156 ICAJMGPAQMDGLS-ZDUSSCGKSA-N 442.439 2.015 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)cc2O)CC1=O 1874279355 ADFATWGBXNFTPA-FVUPAENESA-N 433.534 2.160 30 10 IEEE COc1cccc2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)oc12 1889518124 JZDKEINJBHETQR-UHFFFAOYSA-N 425.529 2.313 30 10 IEEE CC#CC[C@H](CO)NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2010123555 FVSDSCBKCSEWGI-HXUWFJFHSA-N 429.561 2.436 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(C)(C)O 2022894298 KUNOKMRPUWXEOE-SZNDQCEHSA-N 440.541 2.012 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)cn1 2174789550 RSZVUHIPFZVZDK-LJQANCHMSA-N 426.498 2.423 30 10 IEEE N#C[C@@]1(NS(=O)(=O)c2c(N)cc(Br)cc2Br)CCSC1 2191766115 RWWHKJFWDBWXCB-NSHDSACASA-N 441.170 2.471 30 10 IEEE C=CCN(CC(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2212239736 NSSGLBVSUWPANP-OAQYLSRUSA-N 427.542 2.288 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)C1 2247555793 MKCHQTPCCLFLLL-BXFSZVDSSA-N 437.537 2.045 30 10 IEEE C[C@H](NC(=O)CON(C)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248403439 GIXPPQPOTWEMAN-LBPRGKRZSA-N 441.359 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C2(CCOCC2)C1 2255595474 QZNCSSJOFCKOAY-UHFFFAOYSA-N 434.342 2.250 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255639318 FAXSGQXNVGTNMF-NSHDSACASA-N 447.288 2.116 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255854606 DPJSIZRNFAENEN-HOTGVXAUSA-N 432.326 2.422 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC/C=C\CNC(=O)OC(C)(C)C 2256401300 ATAZVFIAXRUGBD-KHPPLWFESA-N 434.346 2.013 30 10 IEEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256402214 NCXFPLOLTDBJGX-HJWRWDBZSA-N 435.305 2.331 30 10 IEEE CC(C)(C)OC(=O)N1CCC(COCC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2256769740 XKZJIWADWRLZEX-UHFFFAOYSA-N 436.358 2.401 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C[C@H]2[C@H]1CO 2266064773 DOEHMQWVHOPBEF-CGTJXYLNSA-N 445.369 2.045 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CC1 2266989752 IVRCFUVTUQPXKH-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE Cc1nn(C)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139266 DIQUYFIAOMMMQD-UKRRQHHQSA-N 448.373 2.155 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 2267157856 CDBIXPRRHFCYQU-LJQANCHMSA-N 438.381 2.374 30 10 IEEE Cc1ccnc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2267512201 LRUSLKGDSRIEAO-HUUCEWRRSA-N 443.353 2.284 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267528009 AKWJLBHQZVHGEV-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268640531 XRNXOMYTVYKAGS-SFHVURJKSA-N 446.353 2.151 30 10 IEEE Cn1cc(I)c([C@@H](O)C(=O)C#Cc2cccc(Br)c2)n1 2296243514 MRHIUWVRJRWBJN-AWEZNQCLSA-N 445.054 2.441 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2303304982 XSOUNJQNQLEPLM-HSALFYBXSA-N 428.533 2.295 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2(CNC(=O)OC(C)(C)C)COC2)[nH]1 2315390437 OIYDEVVZSYFUDP-UHFFFAOYSA-N 433.358 2.064 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)n1C 2337277823 YSMHOPWRTRXLNA-LJQANCHMSA-N 438.381 2.422 30 10 IEEE C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@H]1c1ccc(O)c(OCC)c1 20059140 CVDHRWKLIYGYRO-FAKFISEUSA-N 432.469 2.289 30 10 IEEE Cc1ccc(Cn2c(=O)c3ccc(C(=O)NCC(C)C)cc3n3c(=O)n(CC#N)nc23)cc1 45943694 HXVGLYHTIMJGIQ-UHFFFAOYSA-N 444.495 2.077 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccccc1O 59829691 RSWQZMOWLLODSA-SRZZPIQSSA-N 442.461 2.173 30 10 IEEE Cc1cc(C)cc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59888296 FQQKORXVPVXYCB-UFFVCSGVSA-N 442.549 2.404 30 10 IEEE Cc1ncc(S(=O)(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)cc1C#N 427213489 RQCBADLFHDZXBI-UHFFFAOYSA-N 433.291 2.465 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(F)c(F)c3)CC2)cc1 445690149 KTPJKSWBHHCLJT-UHFFFAOYSA-N 447.463 2.332 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CC1 477459518 ZAEXDSQQGWDQCB-UHFFFAOYSA-N 434.422 2.364 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cc(Br)c(OCC=C)c(OC)c2)CC1 506247585 KTEQDOIPAPWPCM-UHFFFAOYSA-N 438.366 2.442 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 508867484 QDDLVFIXPRPBSN-INIZCTEOSA-N 428.562 2.294 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2)nc1 508921600 KCUHIMSUYOVPHC-IBGZPJMESA-N 446.490 2.197 30 10 IEEE CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2F)s1 510703852 SNGUFSJTWDSEGL-WDEREUQCSA-N 425.511 2.194 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 535120959 MFBLMGSSXNBXLF-YLJYHZDGSA-N 428.851 2.169 30 10 IEEE CCN1C(=O)CCc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc21 545406309 HRISVPMNVYSLFV-CQSZACIVSA-N 426.498 2.163 30 10 IEEE CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 549403372 KQHHXCLABHMUFS-UHFFFAOYSA-N 436.520 2.222 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 553062713 GFNZOTWXDOLYNE-QZTJIDSGSA-N 428.539 2.129 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O[C@H]2CCCCO2)cc1 575398727 HTUDKBKUGBIVNY-ICBNADEASA-N 428.503 2.489 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 581028967 NCOPFZLECITQHQ-QFIPXVFZSA-N 440.507 2.038 30 10 IEEE N#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)c(F)c1 609231735 JYCDWXPMTILXDA-UHFFFAOYSA-N 432.296 2.116 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(CC)c(=O)cc2C1 619831340 GKYBMSFHSPYBCB-UHFFFAOYSA-N 431.500 2.444 30 10 IEEE C[C@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 686164624 BYHHGGONRQFNPB-PMUMKWKESA-N 433.530 2.342 30 10 IEEE CC(C)(C)OC(=O)N(CCCNC(=O)NC1CCN(CC#N)CC1)Cc1cccnc1 730671502 FEHAACZEUTVHPL-UHFFFAOYSA-N 430.553 2.496 30 10 IEEE O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)OCC#Cc1ccccc1Cl 746976442 SOISHHZEVPUEFV-UHFFFAOYSA-N 446.912 2.340 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 748881520 WAWWKALABKAQMO-GJZGRUSLSA-N 442.493 2.462 30 10 IEEE CCn1nc(C(F)(F)F)c(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1C(F)F 768149447 GWQUDLRQQGUZNU-UHFFFAOYSA-N 440.247 2.404 30 10 IEEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 773579446 YVTLONSBIAGKNA-HOCLYGCPSA-N 430.509 2.122 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 784482467 PSNJTRQVBLCVLP-LZQZEXGQSA-N 425.514 2.132 30 10 IEEE CC[C@H](C(=O)OC)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 791630861 FCOHLTNKQHILSO-HUUCEWRRSA-N 431.489 2.098 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 794068239 BJLCTKFYONMBIF-QRQLOZEOSA-N 436.892 2.094 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCF)cc1Cl 797816269 NOKYFPMKORQOLK-HNNXBMFYSA-N 430.933 2.318 30 10 IEEE COC(=O)NCCc1ccc(S(=O)(=O)N(C)CCOCc2ccc(C#N)cc2)s1 808339046 QDOMGAXRDRZHNU-UHFFFAOYSA-N 437.543 2.356 30 10 IEEE Cn1ncc(CCCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 814704735 YOXGKMKBXCGHJH-QGZVFWFLSA-N 430.509 2.187 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)n[nH]2)cn1 1084501303 WUAHHKNMOFUYAL-UHFFFAOYSA-N 442.505 2.027 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)o1 1130092745 AEIFEFVHHKBIDY-UHFFFAOYSA-N 432.521 2.326 30 10 IEEE COc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 1135752651 OEVPTZXDHBZUPM-XBXARRHUSA-N 448.472 2.076 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 1135762950 WURLBANEEMAQTG-GOSISDBHSA-N 435.419 2.337 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)C2=O)cc1 1138181483 VDEZDTWZDYXOPB-ULQDDVLXSA-N 425.407 2.154 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 1147233784 FLSIRSIQSGBOAP-PCCBWWKXSA-N 427.545 2.405 30 10 IEEE C#CCN(CC(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1)C(=O)OC(C)(C)C 1154476490 SYXFIVCLFRARSE-UHFFFAOYSA-N 428.533 2.160 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(OC(F)(F)F)c1 1159512157 HVKWVIURXSCHOD-LBPRGKRZSA-N 427.404 2.440 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1160650951 POXBPYDOVRECJY-UHFFFAOYSA-N 432.484 2.077 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1190420217 HTPIVJIAUMTSRL-STQMWFEESA-N 436.347 2.055 30 10 IEEE CCOC(=O)c1cnn2ccc(NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc12 1210051799 HCKTYPTVOXKADN-LJQANCHMSA-N 446.467 2.305 30 10 IEEE C=CCOCCCNC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1231088992 PEOCJEYNXATOMD-SFHVURJKSA-N 438.569 2.080 30 10 IEEE N#Cc1ccc(CNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)s1 1248450921 QQTPBYVPHQIUPD-MRXNPFEDSA-N 430.505 2.276 30 10 IEEE C#C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(Br)cc1 1275464981 RAMZLYLKGXSBPW-SJLPKXTDSA-N 425.286 2.360 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286373999 SXQIQWXXYKJVSW-SFTDATJTSA-N 441.601 2.451 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286386153 VOIGRSRQUNAEFX-OAHLLOKOSA-N 435.619 2.464 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2OCC[C@H]2C)n1 1286470960 GXUZCCFQWLHQPM-HMXCVIKNSA-N 442.564 2.427 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2CCCCC2)CC1 1286485028 ARZXEUCRBAGHRF-SFTDATJTSA-N 444.624 2.022 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2ccccc2)CC1 1286489733 AHZRRNILPZFUQI-UHFFFAOYSA-N 429.528 2.334 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286536485 MFNBBYFSNGNNFA-LJQANCHMSA-N 435.370 2.493 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286546691 LCIJCRKGKSEPCA-QYZOEREBSA-N 437.610 2.387 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286755292 STEJTRDVPFAXHL-UHFFFAOYSA-N 444.543 2.262 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286831324 YIOPEQHWNOIVCW-UHFFFAOYSA-N 436.607 2.039 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1290624902 GQDBSXNUTIQYKR-IBGZPJMESA-N 445.593 2.095 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296659487 WBEWIXHVBXKSEQ-QFIPXVFZSA-N 428.537 2.364 30 10 IEEE CN(C)C(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1297992843 LAAODVVWXYZKLY-UHFFFAOYSA-N 436.564 2.082 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1299756796 PGCILCAUXSQOOI-YKNSSVCLSA-N 439.520 2.195 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N(C)C)cc(OC)c1OC 1299836507 DQAADPYGIJIVIF-AWEZNQCLSA-N 430.509 2.045 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1300602591 HFKSGPBNVXHMFM-HSZRJFAPSA-N 425.533 2.186 30 10 IEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C1CSC1 1300608257 XGBIHQQABNODSY-KBPBESRZSA-N 442.990 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300879374 CVGPUJKBUZLXBL-BMFZPTHFSA-N 426.443 2.427 30 10 IEEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301177013 OWBHMQPCJFLXJX-OAHLLOKOSA-N 446.914 2.241 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301508462 MKBFCRGUIUPTRX-UHFFFAOYSA-N 428.581 2.008 30 10 IEEE CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1301748904 DXQVNUBCAWJCJE-QGZVFWFLSA-N 434.500 2.470 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302274003 ZYFIIZMUWYICKA-QZTJIDSGSA-N 445.568 2.221 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCCc2ccccc2)CCO1 1303005079 WQJFOLDUVZRTAA-IBGZPJMESA-N 436.541 2.018 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1303641485 BWGIWONNKKNIGV-AWEZNQCLSA-N 449.357 2.188 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(C)(=O)=O 1303896355 AYMKKHIWAUFTOH-AUUYWEPGSA-N 439.488 2.434 30 10 IEEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)s1 1304777646 XFIXNQVLXCBNBB-UHFFFAOYSA-N 445.574 2.090 30 10 IEEE COC(=O)C[C@@](C)(NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccccn1 1309412319 CDLYZSQWOMUELY-QGZVFWFLSA-N 438.303 2.473 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cnccc4C#N)CC3)c(Cl)cc21 1309544242 SYDJDOMQVGVNSG-UHFFFAOYSA-N 445.932 2.027 30 10 IEEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1314469390 DIRWCOCLARJPDH-UHFFFAOYSA-N 436.516 2.257 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C 1315718461 PDDVJGAUKZRCOG-HHXXYDBFSA-N 429.546 2.113 30 10 IEEE COCC[C@@](C)(O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1315982417 VHJJDGDQSOMGMY-YADHBBJMSA-N 435.569 2.236 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc(-c3ccccn3)n2CCOCCCO)CC1 1316533335 MGXYTZPROGIGCZ-UHFFFAOYSA-N 447.543 2.327 30 10 IEEE CCCS(=O)(=O)NC1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1350209052 DYUZVFFOAMJWAF-KRWDZBQOSA-N 444.598 2.284 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1358930010 MCSGWHBYTNXHGR-MRXNPFEDSA-N 429.502 2.065 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1358960605 IFXHUEFPLQRDST-MRXNPFEDSA-N 444.586 2.032 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(CC)CC 1358975830 GFSRXFJBZPJDNT-GOSISDBHSA-N 441.605 2.041 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1359000737 DBHFAYPRYRTFPE-WZONZLPQSA-N 427.549 2.343 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359134745 FWRYYYXLVHWMQI-HSZRJFAPSA-N 425.533 2.329 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1359255629 FLGRJZXQDMVXOW-UZUQRXQVSA-N 433.516 2.283 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1360471575 KDODFNAPPBSGGZ-KBPBESRZSA-N 437.957 2.013 30 10 IEEE Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c12 1453839747 BOYHYSHXFAIHRT-UHFFFAOYSA-N 437.504 2.182 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 1457945454 BDSOGWGPXJORAP-OAHLLOKOSA-N 425.514 2.025 30 10 IEEE C#Cc1ccc(NC(=O)CCN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 1459396858 UWHHUUYYBMOEKR-IBGZPJMESA-N 442.560 2.349 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1467140968 RBRHTQCWBXEXHH-UHFFFAOYSA-N 445.472 2.294 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1)C(C)C 1467660617 VAHUHZYSVPYGGA-NRFANRHFSA-N 431.556 2.455 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)C1 1469544950 LHAPAJKQFHKAPC-NTKDMRAZSA-N 437.544 2.486 30 10 IEEE N#C[C@]12CN(C(=O)NCc3cccc(Oc4ccc(F)cc4)n3)C[C@H]1CS(=O)(=O)C2 1478928716 ITQCUMDTZSVXEW-VBKZILBWSA-N 430.461 2.093 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493246134 PDRVOXUUXMIAGJ-SSMANRBRSA-N 435.532 2.273 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1499184131 DIQCHAYQZZUJGS-QFIPXVFZSA-N 435.576 2.293 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1501194210 FITRMPFIKCGANI-KRWDZBQOSA-N 437.548 2.036 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1507635229 UTADDUBFEFBEJW-RTBURBONSA-N 444.605 2.186 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cscc2C)CC1 1507728137 VTDQTFWJUSUXOQ-UHFFFAOYSA-N 440.598 2.443 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507951125 OLTVLIVDSFOTAW-HXUWFJFHSA-N 437.592 2.363 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1507982064 LPQHSJLXHSFLDR-UUKMXZOPSA-N 445.589 2.427 30 10 IEEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(C#N)C2)no1 1513743381 VBUYHKGYSASUDA-UQASEVPWSA-N 429.525 2.320 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1518511768 KGVAWKUXBOUDOJ-HSZRJFAPSA-N 438.532 2.474 30 10 IEEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CC2=O)cc1 1520096399 ABIQTYGORYKXNF-GOSISDBHSA-N 449.486 2.357 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCc2ccc(C#N)cc2)c1 1531928420 FGCVTPRBRNQSFA-UHFFFAOYSA-N 426.542 2.381 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(C)COCCO2)c1 1539037551 GNXUFLSMXAKXJT-QHCPKHFHSA-N 425.533 2.437 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN1CC 1539190370 IUBUAJQUNOMIKM-HSZRJFAPSA-N 435.620 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(F)c1)N(C)C 1539284028 FBCCYBQAXNDRRV-NRFANRHFSA-N 436.535 2.419 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539779698 DLJIZHGGSXGDIP-UHFFFAOYSA-N 432.956 2.353 30 10 IEEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1540007058 ZNMLHIFCNFILRI-UHFFFAOYSA-N 432.519 2.371 30 10 IEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1540033966 SLYLYJGAEBHASI-UHFFFAOYSA-N 438.532 2.314 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1540867901 LKQNHKRLKSUGRX-MJGOQNOKSA-N 439.564 2.164 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)nc2)C1 1540895746 YVVHCJHHJDMBAE-FQEVSTJZSA-N 436.564 2.430 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(N)=O)c1 1541117514 HRMZYKXTPMTPEX-KRWDZBQOSA-N 442.527 2.454 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1541124805 WYZNHMCRRZVQJT-PASDCYSWSA-N 431.562 2.500 30 10 IEEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCSCC1 1541152980 PQBBVEQFAVLPBM-UHFFFAOYSA-N 427.578 2.159 30 10 IEEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)on1 1542160197 KNMHKRVLYDRVON-OQKWZONESA-N 434.474 2.307 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)n1 1542720331 JHFTVGCJBNDMFQ-ZDUSSCGKSA-N 435.579 2.321 30 10 IEEE N#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(OC(F)(F)F)cc1 1545142265 GFVWAXJZJWXSPA-KRWDZBQOSA-N 442.415 2.275 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1545497542 LBZQQJRWONEVLF-WYJFCODTSA-N 428.537 2.466 30 10 IEEE CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cn1 1547275360 BBLLIPHFWFGVNH-DOTOQJQBSA-N 432.550 2.151 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@@H](COC(C)C)C3)n2Cc2ccc(C#N)o2)CCOC1 1547925042 XMXSMBYZFPLTSZ-DENIHFKCSA-N 445.520 2.073 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C[C@H]1OC 1555791071 FLVXRZNIXJNHQF-ZRCGQRJVSA-N 441.532 2.394 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 1561572742 SGMWCSCZHVRBEY-JKSUJKDBSA-N 427.526 2.247 30 10 IEEE C#CCN(C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CSC1 1584186225 NCWKUEKOLVWHTP-JOCHJYFZSA-N 433.533 2.077 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1584318995 FMLLBMAMGPFSNJ-WCJKSRRJSA-N 440.537 2.042 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 1584728508 AWDTWPXFGNPHLG-NHCUHLMSSA-N 428.577 2.398 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1588064463 ILUBDDWWQIEJRL-KRWDZBQOSA-N 433.603 2.032 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(=O)(=O)N(C)C 1588099154 IEZGIQCHOHMRSO-UHFFFAOYSA-N 445.614 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN1CCOCC1(C)C 1588240782 DLUKCYAWUSHTGB-UHFFFAOYSA-N 426.590 2.208 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588763422 XNJCLUZRVMHMLA-QHCPKHFHSA-N 440.617 2.146 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C2CC2)N(C)C)CC1 1588836088 DZZNUJMXPWNWGJ-NRFANRHFSA-N 428.531 2.243 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1588985176 PKBGPTZKANOUTB-OAHLLOKOSA-N 438.550 2.158 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589503471 DLWNIJWVANQWJS-QFBILLFUSA-N 449.577 2.346 30 10 IEEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1589722025 NHEHFFOMKFBOCO-UHFFFAOYSA-N 446.346 2.408 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1594733451 UDBAVTVNEACKEI-INIZCTEOSA-N 439.582 2.204 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1595116737 VCYDNVFJGIIWTH-FQEVSTJZSA-N 425.533 2.224 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(=O)OC)C1 1595477472 VMSOLMKEAVEUGI-ROUUACIJSA-N 441.532 2.336 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CC 1595537292 PGUVSSLUWCHCRP-MRXNPFEDSA-N 435.532 2.356 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1scnc1C 1595811799 BEZWIGPPOGLDTF-UHFFFAOYSA-N 432.575 2.266 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1595844575 DNJRFZGTSKOQDR-YOEHRIQHSA-N 431.653 2.141 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccnc(-c3ccccn3)n2)ccc1F 1598293125 RYFZCXMZOGFYGE-UHFFFAOYSA-N 427.461 2.072 30 10 IEEE CN(C)[C@@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1617651142 AQRHEGRCDDKDHF-HNAYVOBHSA-N 433.969 2.160 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1617869396 WITBAFQBEJTXTD-ROUUACIJSA-N 437.504 2.016 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1)OC 1619607173 KENDAEXDGLAGJS-OALUTQOASA-N 429.521 2.251 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1620358247 HRGKPEUUYVRCBP-UHFFFAOYSA-N 447.536 2.154 30 10 IEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)s1 1621770542 UOIOXYYWOHKZDH-GFCCVEGCSA-N 428.967 2.334 30 10 IEEE C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)C(=O)NCCc1ccccc1 1622214304 FURZYZADPWTVHO-CYBMUJFWSA-N 436.331 2.346 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc[nH]n1 1625511027 VXGXZFPLFWQFBW-RBBKRZOGSA-N 436.468 2.285 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)COc2cccc(Br)c2C#N)C1 1626830881 ULKYLVNYWZQGLV-ZIAGYGMSSA-N 438.322 2.089 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1628192454 WGVZQMTYVLEVIO-RMKNXTFCSA-N 438.427 2.219 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)s1 1631405161 WYXGHKCQQUAMFZ-UHFFFAOYSA-N 441.538 2.333 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)C1 1633836103 CZSWZOTZINNTPJ-AEFFLSMTSA-N 432.318 2.354 30 10 IEEE C=CCC1(O)CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1635151402 AUKJOIQDYQZVBZ-HSZRJFAPSA-N 447.535 2.430 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCOCC1 1637127509 FHXLSMDLBCEWCR-QFIPXVFZSA-N 441.553 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)Cc2ccc(Br)cc2C#N)C1 1639423904 WXMYBEXVPAPMHI-IBGZPJMESA-N 438.322 2.351 30 10 IEEE CC#CC[C@@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1639840746 RXLLJGRJDZIMNW-DGGJZMOXSA-N 436.508 2.165 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)c1ccc(F)cc1 1642805785 GDQQWZPXFNQHSH-LPHOPBHVSA-N 447.532 2.315 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@@H](CO)[C@H](CCO)C2)c1 1648105272 QYBLDRCJMJKINX-MSOLQXFVSA-N 439.537 2.352 30 10 IEEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3cccc(OCCCC#N)c3)ccc21 1650719830 GDHOIFWLHASJIX-UHFFFAOYSA-N 436.472 2.312 30 10 IEEE COC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(C)c1 1650762723 KESOLSXCJMTXER-GOSISDBHSA-N 443.525 2.234 30 10 IEEE N#CC[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(F)(F)F 1652244844 RTJJANOCYQNBPJ-MJGOQNOKSA-N 444.413 2.461 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1654984624 PRWBKXQHAGNYOQ-IERDGZPVSA-N 444.557 2.237 30 10 IEEE COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1655218138 WQUPXBYHIKHFEY-KNQAVFIVSA-N 434.968 2.096 30 10 IEEE C#C[C@@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1665102506 YTYVCYWPMWXOQV-QFIPXVFZSA-N 449.621 2.392 30 10 IEEE C#CCN(C(=O)NCC1(C2(O)CCOCC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1684258068 QMTNHJZYNMMAKU-UHFFFAOYSA-N 435.565 2.352 30 10 IEEE C=CCn1cc(CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)nn1 1686847897 IFFORZJPWCHHNR-ZDUSSCGKSA-N 426.290 2.016 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)NCC#C[C@@H]1CCCCO1)OC2=O 1687665805 SCHQEYMHQGPOHI-ROUUACIJSA-N 449.548 2.191 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(O)nc2ccccc21 1689827078 ZGUVZJHUNLNIMB-OAHLLOKOSA-N 430.472 2.139 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCC1 1689842297 XWAIBRXBWGWHLR-HNNXBMFYSA-N 432.546 2.388 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccco1 1690089937 RAADPVJTJLFYEN-UHFFFAOYSA-N 447.474 2.481 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@]2(O)CCSC2)n1 1690109125 HNEQPAJWJRNZFR-JOCHJYFZSA-N 444.605 2.286 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2csc([C@@H](C)OC)n2)CC1 1690120009 BLIQETBTZYIWLM-MRXNPFEDSA-N 425.562 2.251 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[C@H]2OC)CC1 1690148913 ZQKPBFXWUJERIE-TZIWHRDSSA-N 436.560 2.045 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690316547 HRWFQAKJUJETFL-SFHVURJKSA-N 443.552 2.144 30 10 IEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1690715825 VVIMRWLMCSKHON-KRWDZBQOSA-N 442.488 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690717751 PNZFRPQGUQZPHS-LPHOPBHVSA-N 429.546 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690723559 VRQVAIZCMZVUHW-UHFFFAOYSA-N 439.582 2.204 30 10 IEEE C[C@@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1693682315 GDNHRSVYCYKKJA-GOSISDBHSA-N 444.605 2.420 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1694219757 FUUNYCAKOZMLSY-VGOFRKELSA-N 432.569 2.363 30 10 IEEE CCNC(=O)C1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCC1 1695921956 ABELXIKAQRQUPA-MRXNPFEDSA-N 442.495 2.031 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[C@@H]2CCOC2)c1 1705505514 PJEGTUYAQJCMNT-GOSISDBHSA-N 431.500 2.218 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCOCC2)nc1 1705576560 MUVXQBUVXSOTNL-UHFFFAOYSA-N 447.930 2.346 30 10 IEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1705656253 SZKGJAFAEKBRAH-QGZVFWFLSA-N 443.573 2.419 30 10 IEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1705665567 XUWNOAUMEIMOIJ-INIZCTEOSA-N 448.593 2.043 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](CC)C1 1705700774 YIRNSRUAWWQNAS-BDXSIMOUSA-N 440.635 2.493 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC=C(C(C)(C)C)CC1 1705937759 DEIXKKROBCFUKQ-UHFFFAOYSA-N 435.594 2.184 30 10 IEEE CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1706215237 YTNFXJHXFSKJIO-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1710512358 OECYPGQHFHFCHY-OAHLLOKOSA-N 436.472 2.177 30 10 IEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nncn2C)cc1 1710537293 BPNBASNUERIMJD-BTYIYWSLSA-N 440.483 2.436 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1711409344 DDARLFJMGHBSQN-IRXDYDNUSA-N 437.548 2.482 30 10 IEEE COCCN(CCC#N)c1nnc(C2CCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1712454488 HEUXVBPRBGITLU-INIZCTEOSA-N 430.475 2.175 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722328200 QWMMHAXMZHAXQX-KRWDZBQOSA-N 431.562 2.439 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722358434 HPQJDDHLQAJGOT-SIKLNZKXSA-N 430.574 2.326 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1722360740 VPNOMVBKMQYXNH-NRFANRHFSA-N 446.536 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1Cc1ccc(C(N)=O)nc1 1722399235 RGHRFKXDHVQRHM-UHFFFAOYSA-N 426.524 2.459 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1722554391 DWUSWMCFGGQQHB-CYBMUJFWSA-N 441.907 2.007 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@@](=O)CC 1722656842 KCUODFBJTCHOCM-PBYQXAPXSA-N 426.546 2.062 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722688590 GQKTYXSDXWZEPC-LHSJRXKWSA-N 446.939 2.075 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1722736733 GHQRQXIXFTUAMA-HOTGVXAUSA-N 432.550 2.085 30 10 IEEE Cc1ccc(C(=O)NCCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)cc1 1724248013 HBGIRFBVWLOMAK-MRXNPFEDSA-N 449.515 2.340 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1724490636 HBUXGKURNFENSA-GOSISDBHSA-N 443.577 2.060 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1740625437 FMOOFCYHLXQMLS-ZWKOTPCHSA-N 432.546 2.057 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCC1 1740663629 OAESLWDWMOGCHE-UHFFFAOYSA-N 429.594 2.102 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCCC1=O 1740665624 KNPQUSSDWXLASK-UHFFFAOYSA-N 447.547 2.173 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740687056 QKGQLWFGKPDOTM-GBXCKJPGSA-N 440.544 2.302 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(OCCCOC)c2)CC1 1740703272 MBZKWXBNQAUBCI-UHFFFAOYSA-N 425.533 2.016 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(O)c2)CC1 1740703966 DVASEWYVALFBDQ-UHFFFAOYSA-N 430.512 2.368 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740760875 LIVCKGAEUURMLL-CTNGQTDRSA-N 430.597 2.173 30 10 IEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740791125 UZOMVVBSLANZLV-UHFFFAOYSA-N 442.495 2.198 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1740960438 RMNFGEGAKAYXJR-NHCUHLMSSA-N 439.560 2.312 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCc2ccccc2)CCOC1 1741731075 FYKJFBJNKJOIOB-NZQKXSOJSA-N 441.532 2.264 30 10 IEEE Cc1cccc(-c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCS(C)(=O)=O)n1 1742333711 HJVNOWHPMBJXJK-MOPGFXCFSA-N 436.541 2.437 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1743893339 NTNNCCHQAAKKHH-NYHFZMIOSA-N 441.536 2.441 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)cn1 1748664451 HBIVHDRQDPRXHS-AWEZNQCLSA-N 427.509 2.279 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1748784994 WUZWBUMNMUEFNR-UHFFFAOYSA-N 447.543 2.147 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1748809129 QIEJOKNZGOKFHZ-CQSZACIVSA-N 428.461 2.103 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1748812727 ZKZCSHVZLBYPNZ-LJQANCHMSA-N 445.589 2.298 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)NC2CCCCC2)CC1 1748986660 GDTSMNOULRODPI-UHFFFAOYSA-N 435.576 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCCC2)CC1 1749016683 KRLRFJUGIOPZAP-UHFFFAOYSA-N 449.603 2.106 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CC1 1749532455 WMLCFQVYHUENAA-UHFFFAOYSA-N 449.540 2.377 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1NC(=O)CC1(C)C 1749599851 NAHXWCMYTFZBEV-RBUKOAKNSA-N 441.532 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)OC)CC1 1749660060 NHZJVDFSOXGNKG-UHFFFAOYSA-N 434.500 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2nccs2)C1 1749721266 FGZBGLAOFJPVTG-GJZGRUSLSA-N 425.580 2.427 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1750069325 GXQROJGJRBZAIF-NQIIRXRSSA-N 446.559 2.336 30 10 IEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 1750257808 FJMRMAOPMYYNKP-UHFFFAOYSA-N 446.602 2.184 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2cn(C3COC3)nn2)c1 1751456831 DDPJGOBWTBDUAB-INIZCTEOSA-N 436.520 2.281 30 10 IEEE Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)n1 1751628485 BLEIGTARYSTZFY-UTKZUKDTSA-N 445.593 2.355 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1760111911 WMLKDFFXPXPRSY-IRXDYDNUSA-N 438.532 2.184 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760145934 YLNRLROCJQRKRH-SJORKVTESA-N 448.568 2.156 30 10 IEEE C#CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159922 SOEMCTCVVUGOGD-XMMPIXPASA-N 449.559 2.325 30 10 IEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCN(CC)CC1 1760170281 WUTBZURFCFMHIX-FQEVSTJZSA-N 432.576 2.226 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760184189 GLWAABKSDMMAPK-JTDSTZFVSA-N 432.521 2.136 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1noc(CC)n1 1760241359 XHPLNJTUOOAPPT-QGZVFWFLSA-N 437.479 2.196 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C)no1 1760242841 QABHGCQKRAZHMY-UHFFFAOYSA-N 442.907 2.292 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1760253694 UXPMQYMJSJYLGZ-MTQWCTHYSA-N 434.581 2.334 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCC(N)=O)CC1 1760320467 XOKRIJJFYGVFRO-OXQOHEQNSA-N 429.521 2.298 30 10 IEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1760340752 MZINPPAQMYXCSD-INIZCTEOSA-N 444.502 2.066 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1760522989 IWGZLZZCQHEFIJ-MRXNPFEDSA-N 436.516 2.128 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](COC)C1 1760553574 VYOFCFQESZIAOQ-KRWDZBQOSA-N 434.562 2.417 30 10 IEEE CC(=O)Nc1ccc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1760630284 CWZGSQAGBDXRDU-KSFYIVLOSA-N 441.536 2.459 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCCC1 1760686951 CSYPJHSEVPGGSM-QGZVFWFLSA-N 438.536 2.314 30 10 IEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)CCO1 1761566384 UYZKLRVRTANXEV-UHFFFAOYSA-N 431.562 2.460 30 10 IEEE CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1762162642 FPSDPTOZRXGYIP-PXNSSMCTSA-N 428.585 2.411 30 10 IEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1763983352 UPAPURMPUFZBDT-HXUWFJFHSA-N 426.521 2.260 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1766759261 PCZXAVFEGGHHJS-LJQANCHMSA-N 432.532 2.491 30 10 IEEE CN(C)C(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1768423927 FMSZXRVOFJGAHO-IIBYNOLFSA-N 427.553 2.008 30 10 IEEE COCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1769573277 DTICJQQIWSKWQL-KRWDZBQOSA-N 439.520 2.251 30 10 IEEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1770400866 KRJLGMJDXRJNKK-AOMKIAJQSA-N 437.504 2.072 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccc2F)nnc1N1CCC(F)(F)C1 1770833288 RDGZDXKWTPGWMB-VHEBQXMUSA-N 446.433 2.380 30 10 IEEE COCc1ccc([C@@H]2CCCN2c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1770847276 UMGFQXJHPYAAIQ-JVMRMLDLSA-N 426.477 2.194 30 10 IEEE COCCCOc1cc(C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1771059167 BRKHICSPPZHICI-UXHICEINSA-N 441.532 2.283 30 10 IEEE COCCCOc1cc(C)ccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1771060180 ZHYBDLUMDGADHZ-IBGZPJMESA-N 449.515 2.236 30 10 IEEE CN1C(=O)CC[C@H]1CO[C@H](COc1ccccc1C#N)CS(=O)(=O)c1ccccc1 1851326559 LGPQIBDJHMGVDF-RBUKOAKNSA-N 428.510 2.417 30 10 IEEE CN(C(=O)[C@@H]1CCC(=O)N1Cc1ccccc1)c1snc(N2CCOCC2)c1C#N 1852016787 OWHZMMGHSOISOP-KRWDZBQOSA-N 425.514 2.005 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)Nc3nc4ccccc4n3CCN3CCOCC3)cnc21 1852676861 NJRJGBWXKYMHLE-UHFFFAOYSA-N 429.484 2.379 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C(=O)C2)s1 1853613775 ZKHWMNOAQFXQNF-AWEZNQCLSA-N 442.928 2.497 30 10 IEEE Cc1nc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)nc(O)c1C 1859427941 BMHAPCKRKHJWEH-UHFFFAOYSA-N 426.546 2.372 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@H]2CO)=C(N)Oc2c1c(CC)nn2C 1865224621 ICCSJCPOWHFLND-KXBFYZLASA-N 438.528 2.225 30 10 IEEE COC(=O)COc1cn(CCN(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870265005 HBFBFLHMWRHDEW-UHFFFAOYSA-N 444.557 2.446 30 10 IEEE C#CCOc1cn(CCCCCO)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870561987 LZWOQOMELKPBME-UHFFFAOYSA-N 439.556 2.354 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CN1CCN(C)CC1 1870649934 OPBGKBMDBOWQSA-UHFFFAOYSA-N 430.936 2.453 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2039815613 GPFPLDBWAIHRJV-FQEVSTJZSA-N 425.382 2.485 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060636242 VVDAFJBEABADDC-LFRCEIEQSA-N 436.358 2.155 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2060639139 FFKPIYNUIZABIU-UONOGXRCSA-N 432.330 2.264 30 10 IEEE C=CCn1ncc(N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(Br)c1=O 2106022065 NEILQDUKZQTXDO-WCQYABFASA-N 429.315 2.143 30 10 IEEE Cc1cc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ccc1C#CCO 2145935389 AFFLAPRYQLULLF-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE C#CCn1ncc(N[C@@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2226275034 YEHZPHYSSITMLC-NWDGAFQWSA-N 429.290 2.398 30 10 IEEE C=C(CS(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2243434741 DLDISMRBIROUMV-UHFFFAOYSA-N 430.376 2.493 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2247905477 ULJVQQYEHSGMSA-ZDUSSCGKSA-N 440.293 2.037 30 10 IEEE CC(C)(C)OC(=O)NCCCCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404765 MYFIQJXWTVCPFJ-UHFFFAOYSA-N 440.375 2.283 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@@H](COC)C[C@@H]1CNC(=O)OC(C)(C)C 2251327014 UAFBFCSXSOTUFF-QWHCGFSZSA-N 427.361 2.086 30 10 IEEE CC1(C)OB(c2csc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2255835104 SRLGCXQQGGLYCI-LJQANCHMSA-N 441.406 2.251 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](C#N)C1 2255850428 HTLSQZRZADMKEV-AWEZNQCLSA-N 431.298 2.164 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267143843 NSCRLGMXNXCBHG-LZWOXQAQSA-N 446.357 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267226433 ZGFMMJBRIVMSGS-CGTJXYLNSA-N 443.353 2.366 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2267233631 JQJZLVVVJOINKC-VQFNDLOPSA-N 445.369 2.402 30 10 IEEE CC1(C)OB(c2c[nH]c(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2267277827 UPBVBFQWYSXBND-UHFFFAOYSA-N 439.365 2.071 30 10 IEEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267493599 KRFMMQRZBCXROB-HXUWFJFHSA-N 439.365 2.125 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267521168 RHNRWUBQOJLYAL-HOCLYGCPSA-N 448.373 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]12CCN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267873589 ZBEVYEYMHHSNDH-QFIPXVFZSA-N 444.341 2.001 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@@H]2CCO[C@@H]2C1(C)C 2268649119 ATGUKKMAQCEETE-SYJLOODJSA-N 448.369 2.446 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268784604 HCTCAARSTCXNLN-GJZGRUSLSA-N 447.341 2.080 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](O)C#Cc1ccccc1Br 2313903885 NUKLFEKJSWWQRP-LSDHHAIUSA-N 432.336 2.099 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1C 2337270043 HAROJZRCWHCZGL-HNNXBMFYSA-N 448.373 2.061 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)n1C 2337325230 FDFQRXYVVZUFLR-JOCHJYFZSA-N 448.373 2.157 30 10 IEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1 110950626 HJVPSICUSZKHHW-LAFOYAEKSA-N 444.509 2.005 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)cn1 462099560 YCQJSNMLLMCFPU-UHFFFAOYSA-N 442.483 2.410 30 10 IEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)o1 471201783 BHNYUIDUZXZXAQ-UHFFFAOYSA-N 437.496 2.319 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)cn1CCOC 481403971 SQIJEDLPSRYLPH-CQSZACIVSA-N 434.493 2.378 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC[C@@H]3COc4ccccc4O3)C2=O)cc1 484632996 BVLYHJUZQSCSQR-QZTJIDSGSA-N 434.452 2.110 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)cc1 497932762 CBUVNUAQOHWNBR-URVUXULASA-N 441.601 2.318 30 10 IEEE CN(C)C[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505380495 SMVICKUMLODDRS-FPOVZHCZSA-N 433.512 2.052 30 10 IEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508844950 LVQUYEWGVZXTEO-ZDUSSCGKSA-N 440.367 2.364 30 10 IEEE N#CCN1CCN(C(=O)c2cc(Br)cc(I)c2)CC1 513368670 YPJZGVALUOEQFN-UHFFFAOYSA-N 434.075 2.335 30 10 IEEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 515739635 HBLPAAJDYQCMID-SNVBAGLBSA-N 445.444 2.364 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 524496550 UAUNWFUULKWXPA-IBGZPJMESA-N 433.622 2.151 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1Cc1ccccc1 532448094 HKIQWARKZANWCF-UHFFFAOYSA-N 439.562 2.057 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)n(-c2cccc(F)c2)c1C 532586721 ZHJIERNIUBSSML-MRXNPFEDSA-N 432.521 2.410 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(S(N)(=O)=O)cn1 538836717 YOVUFSMGRFZGFW-UHFFFAOYSA-N 428.283 2.459 30 10 IEEE C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 544890756 WCGOTKXHGPGTSD-KRWDZBQOSA-N 448.527 2.203 30 10 IEEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 559006357 OUDINGGUEVKDNC-UHFFFAOYSA-N 426.521 2.055 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c1 569774199 XJVPRJRZUYQKMC-CQSZACIVSA-N 426.281 2.393 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 577966597 URGCCCDGRDMHRE-UHFFFAOYSA-N 447.605 2.242 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCCO1 588152308 NNXGIZISPRUSNM-GDBMZVCRSA-N 444.528 2.355 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 608826403 AXDAUAPVQOZYPI-RHSMWYFYSA-N 441.509 2.115 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 669804731 GFKZBGGPAFTMKH-INIZCTEOSA-N 428.541 2.090 30 10 IEEE N#Cc1ccc(CN2C(=O)CN(CN3CCC(NC(=O)C4CCCCC4)CC3)C2=O)cc1 726587860 FWBVLLMGLNESRG-UHFFFAOYSA-N 437.544 2.441 30 10 IEEE CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 730311285 NDYSPFFCOBTVLP-LJQANCHMSA-N 440.525 2.428 30 10 IEEE N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 731257497 YANRUXQVEKOSHZ-PMACEKPBSA-N 427.501 2.427 30 10 IEEE N#C[C@@H]1CN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CCN1C1CC1 732663590 AHMUIJUKUBFNQJ-GOSISDBHSA-N 435.509 2.060 30 10 IEEE Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)n1 732706141 GXGPHUYCYKNYOP-GOSISDBHSA-N 436.541 2.382 30 10 IEEE COc1ccc(C=O)c(OCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 734432954 AJLGWQULMNNGPG-GOSISDBHSA-N 425.466 2.298 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCc3ccccc3)c2=O)cn1 735068988 KMGXGDDRVVUOKP-UHFFFAOYSA-N 434.565 2.487 30 10 IEEE COC(=O)[C@@H](OC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1ccc(C#N)cc1 740201653 ZRWGPDVYSUBPIV-IBGZPJMESA-N 430.482 2.497 30 10 IEEE COc1ccc(Oc2ccc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)cc1 741251470 DCSMJPUQVATOIL-MRCUWXFGSA-N 443.481 2.292 30 10 IEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCc1cc(Cl)ccc1OCC#N 745354900 YBYULMGCHKPBSM-LBPRGKRZSA-N 440.909 2.003 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1C#N 747495472 OBPQODHTIJMRKB-UHFFFAOYSA-N 428.876 2.312 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3cc(Cl)ccc3OC)c2=O)c1 752831107 HUKOLSKLZUKIEO-UHFFFAOYSA-N 438.896 2.300 30 10 IEEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)c1 765545867 YEJPVZHDJPGFHW-SFHVURJKSA-N 440.529 2.179 30 10 IEEE CCCC[C@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 771633123 YGFRJWSQFMBQDR-AWEZNQCLSA-N 445.339 2.004 30 10 IEEE C#CCOc1ccccc1CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776042722 ARMACNBRMVGGDQ-VXKWHMMOSA-N 432.524 2.097 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c(C#N)cn1CCOC 776815699 VGJJCYKBVYOXSI-MRXNPFEDSA-N 438.484 2.483 30 10 IEEE C=C(COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C(=O)OCC 785394461 JRVPDPQLHXUHCE-UHFFFAOYSA-N 435.454 2.478 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)n1 788988210 CJYWCWDGESSVKI-UHFFFAOYSA-N 445.608 2.488 30 10 IEEE C=CC[C@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)CCCN1C(=O)OC(C)(C)C 790838227 GGJCMTZSNPJABZ-LJQANCHMSA-N 425.507 2.324 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1C#N 793522070 ZRJDJBHXAUTHMW-CQSZACIVSA-N 435.484 2.344 30 10 IEEE C#CCOc1ccc(C(=O)N[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)cc1 797583401 VOBIIXNHJUTSOY-JOCHJYFZSA-N 429.494 2.310 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)n(Cc2ccc(F)cc2)c1C 798743857 LXIFJIPEDUSEAW-OAHLLOKOSA-N 449.446 2.370 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 809890119 UDNKIQXCBCAHOQ-HOTGVXAUSA-N 435.525 2.162 30 10 IEEE N#Cc1cccnc1N1CCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 813750861 XNPHZCUCAWNLSF-UHFFFAOYSA-N 438.557 2.143 30 10 IEEE C#CCN(CC(=O)Nc1cccc2nsnc12)CC(=O)Nc1cccc2nsnc12 914867401 VWPWLUPQIPBDSX-UHFFFAOYSA-N 437.510 2.208 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)N3CCCC[C@H]3C)n[nH]2)c([N+](=O)[O-])cc1O 1083960951 WXVWUIDYKOWIOO-LLVKDONJSA-N 449.493 2.366 30 10 IEEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc(Cl)c1 1084025048 YQLOTXZCOFFLKL-UHFFFAOYSA-N 433.881 2.233 30 10 IEEE C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1130841712 BDKXKCGFJQVAPJ-KUHUBIRLSA-N 431.452 2.133 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCN2CCN(c3ccccc3)CC2)c1 1147795705 HAEZHGYYLCVCOZ-UHFFFAOYSA-N 439.581 2.378 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)Cc1nnc2n1CCC[C@H]2C(F)(F)F 1176146671 VVPVPIPGJOBAKY-MRXNPFEDSA-N 431.418 2.449 30 10 IEEE CCC1(CC)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)[C@H]1OC 1231030026 BIOJIUGFUZANKV-NSISKUIASA-N 448.589 2.414 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N1CCOCC1 1286280978 GNNJEBKDVCZPAG-HNNXBMFYSA-N 446.349 2.333 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387754 HVXXZPHGINGZJH-LJQANCHMSA-N 427.574 2.056 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H](c1ccccc1)N1CCOCC1 1286407425 VDVXLOFEZXBMRI-QHCPKHFHSA-N 426.524 2.486 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1286499853 PKAAKDHZOUYFLZ-HNNXBMFYSA-N 427.530 2.132 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CCO1 1293636866 FAIUTOYGUGGOHO-GCJKJVERSA-N 429.521 2.131 30 10 IEEE CN(Cc1ccsc1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298430311 PZEVYZXBLFQLAW-MRCUWXFGSA-N 449.540 2.488 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)OC)cc1OC 1299023913 AKQGIKYXZIGDBI-MJWHDNRXSA-N 448.541 2.243 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1300309450 TVIDIJFMMBNWEU-WDYCEAGBSA-N 433.553 2.080 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1300421409 FYDDNKLBJKAFMW-UHFFFAOYSA-N 440.573 2.228 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1300503562 DOWOQDVIFJQJNV-QGZVFWFLSA-N 445.932 2.108 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300506818 ZUUSEWLLBDCZGT-FUHWJXTLSA-N 434.949 2.458 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)cc1 1300596911 ZCRXPMBDSUHBSQ-VXKWHMMOSA-N 449.555 2.203 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1300805366 AUUIWBGZKNVINW-XMSQKQJNSA-N 428.558 2.424 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC[C@@H]1C 1300839648 SEIMRDZGOGHLSN-KXBFYZLASA-N 436.520 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1300879375 CVGPUJKBUZLXBL-BPUTZDHNSA-N 426.443 2.427 30 10 IEEE C=CCC(C)(C)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1301158596 JXKPLCDAXOFCFT-OXQOHEQNSA-N 426.583 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301569561 ZDKDIFDFXAHDRC-SJORKVTESA-N 425.599 2.133 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCCCC2)C1 1301578445 AUQDSNBHQCHHKM-IBGZPJMESA-N 430.578 2.006 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301916896 PBWPSZAADJHTNH-YGKZAACZSA-N 438.532 2.116 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1c(C)coc1C 1302092310 IJTPAJSEEDABFV-HKUYNNGSSA-N 428.537 2.437 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)c2cccc(Cl)c2Cl)cc1 1302395444 FUODVFLEHHAITB-UHFFFAOYSA-N 426.281 2.142 30 10 IEEE CS(=O)(=O)CCOCCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 1302470308 PNTQBTQYOVSHQY-UHFFFAOYSA-N 435.525 2.275 30 10 IEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCOCC1 1302599191 HORUQEHRFRYIIU-UHFFFAOYSA-N 440.573 2.431 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1310374417 PMLLRSDUQBECDU-OAHLLOKOSA-N 446.479 2.179 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1314781685 BLIFANWDKDKMQB-UHFFFAOYSA-N 438.504 2.190 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1316532172 MWRGMLMNNDFWNB-HDMKZQKVSA-N 430.450 2.498 30 10 IEEE COC(=O)c1ccn(CCCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 1352388183 GGHPOGUSAHAFQG-UHFFFAOYSA-N 432.484 2.219 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2([S@@](C)=O)CC2)c1 1358903415 WCHUNPYZHTWDJM-SSEXGKCCSA-N 427.574 2.444 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1358962724 VGJJQMMIUQCLLD-HNNXBMFYSA-N 438.475 2.442 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](c1c(F)cccc1F)N(C)C 1359024576 PYWIPRRTMCAXGD-QFBILLFUSA-N 433.503 2.449 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2[nH]1 1359049265 LLHHPAIHJJLBKE-HNNXBMFYSA-N 446.602 2.372 30 10 IEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1359083068 BEPQSRGBESEJEW-AWEZNQCLSA-N 441.351 2.431 30 10 IEEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1359252248 KMXBZMDKIIMFOR-LJQANCHMSA-N 445.589 2.456 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359306882 TVUIXXWCCFFLDJ-GOSISDBHSA-N 432.475 2.037 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1359319721 DYQCKMQZKREAOC-PKOBYXMFSA-N 426.521 2.492 30 10 IEEE CC(=O)NCCCn1c(CCCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359461050 JZYQFNJOARIFEH-JOCHJYFZSA-N 435.576 2.156 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O)C(=O)OCC 1438405269 XJFNTJMVQDYOBN-TVSHIAKJSA-N 427.929 2.314 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)c1 1441888699 RFSUTAQDUPRMSR-UHFFFAOYSA-N 425.489 2.436 30 10 IEEE N#Cc1ccc(CSc2nnc(NC(=O)CCCCCS(N)(=O)=O)s2)cc1 1442038244 ZRFZMFBWZQRQFV-UHFFFAOYSA-N 425.561 2.489 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1445047939 FLZYZSYOHCXABC-SJORKVTESA-N 449.552 2.118 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C2=O 1452944316 ANQZKQSQVAZSOV-OMXJDXKCSA-N 426.517 2.187 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc([C@@H]4CCC(=O)N4)c3)C2=O)cc1 1460939500 WRJOJCJDVWRWPT-OALUTQOASA-N 431.452 2.353 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccsc3C#N)CC2)CC1 1461690317 ABCXQZOZFGIETM-UHFFFAOYSA-N 433.534 2.050 30 10 IEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(C#CCO)c1 1467350599 VUUMBFYDTXMXAA-HXUWFJFHSA-N 443.544 2.056 30 10 IEEE CC(C)(CCC#N)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1468681228 ILWLANZIRMBRPZ-PMPSAXMXSA-N 427.567 2.103 30 10 IEEE CN(c1ccc(Oc2[nH]c(=O)n(C)c(=O)c2C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 1472637412 CUNUDYCOLULXMS-UHFFFAOYSA-N 446.872 2.216 30 10 IEEE C=CC[C@@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(=O)OC 1472915208 KSRATYMAQJYPKC-QGZVFWFLSA-N 439.559 2.287 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1479499080 ZZWFSRIRKNATAD-KURKYZTESA-N 426.521 2.325 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)N2CCOCC2)cs1 1492675450 YUKOVDMORGJSCQ-HXUWFJFHSA-N 433.557 2.187 30 10 IEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1499942471 BGNMTEDUYOPRIB-HSZRJFAPSA-N 432.532 2.484 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)OC 1504580815 HVZVZANQKZHCLP-XLIONFOSSA-N 440.548 2.171 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(O)CC1 1504967983 OVVQEIBJNZNWAF-KRWDZBQOSA-N 441.532 2.446 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2ccco2)C1 1505145022 YXHBNYDYGXJQRB-SFHVURJKSA-N 440.529 2.343 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@H]3[C@@H]3CCCO3)n2CC(=O)NCC(F)F)cc1 1505314735 ACMVWPNAXNNIBZ-IRXDYDNUSA-N 430.459 2.346 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1507563317 FHOOQQFAWHNGPS-HXUWFJFHSA-N 438.532 2.446 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCS(=O)(=O)C1 1507699274 AWXCAYHDTPVDCV-SFHVURJKSA-N 441.532 2.497 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COc2ccccc21 1507703395 WGJAJKOEYDBHPG-QGZVFWFLSA-N 432.484 2.188 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2cn3ccccc3n2)CC1 1507742487 JOCFNWVTHZIONA-UHFFFAOYSA-N 433.560 2.333 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1507800473 VRBVUVWITHAHMQ-QYZOEREBSA-N 433.553 2.432 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](OCC=C)C1 1508070996 HKAIZLIZYWIOFK-LJQANCHMSA-N 438.532 2.231 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1508083732 BGWUPBLBOHKGSC-HXUWFJFHSA-N 436.491 2.283 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1509947621 BMQXQOFWEKLVKU-AEFFLSMTSA-N 444.561 2.279 30 10 IEEE Cn1ncc(I)c1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1536459058 YGQLIMNFQPHWRN-OAHLLOKOSA-N 435.269 2.182 30 10 IEEE N#C[C@]12CN(C(=O)[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)C[C@H]1CS(=O)(=O)C2 1539119637 ZHAMYLMQENKGNU-QXAKKESOSA-N 442.459 2.051 30 10 IEEE C#CCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139649 HJBLLYPUUHGUAJ-XMMPIXPASA-N 449.559 2.325 30 10 IEEE C#CCCCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1539141298 UHGMBUGQFONLGU-APWZRJJASA-N 429.487 2.416 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1539202706 KJQYQJVBJXIYIG-IAGOWNOFSA-N 444.557 2.042 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnc1C 1539246909 ZCHGRRDBMVQOTR-UHFFFAOYSA-N 436.541 2.017 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1cccc(OC)c1 1539284103 HMIOLILHLFRYCK-LJQANCHMSA-N 435.528 2.453 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)C2CCCCC2)CC1 1539445818 HNXDKDCSPINGIM-UHFFFAOYSA-N 435.576 2.195 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539526864 VUMMCIZCBSBPFY-JOCHJYFZSA-N 427.574 2.494 30 10 IEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(C)(OC)C1 1539730065 NVAZZLSTBIXZCJ-UHFFFAOYSA-N 448.593 2.364 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1540201153 OROUVJYPLZADFD-AWEZNQCLSA-N 426.489 2.146 30 10 IEEE C=C[C@@](C)(O)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1540717883 XJHJSEDGTNNQLT-LMICACPXSA-N 442.440 2.386 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1540865417 GDAFIQPTSPRRNW-UHFFFAOYSA-N 445.527 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Cl 1540901853 RDTNFPLDGZRAFE-INIZCTEOSA-N 437.953 2.120 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1541023810 BBZSBJFWKRLWMH-UHFFFAOYSA-N 433.936 2.424 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1541044350 VDEOXIBZFQZNDY-NRFANRHFSA-N 438.532 2.117 30 10 IEEE Cc1cccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)c1 1542518345 QLWNPJPVPUIUKV-IBGZPJMESA-N 436.541 2.398 30 10 IEEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1543370056 DKWZUWQKGRHZQG-AWEZNQCLSA-N 440.529 2.460 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCOCC1 1545458399 GJIZQXYXFCYQAD-MRXNPFEDSA-N 439.564 2.437 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCC1 1555554986 FTEGYBYYYVQYPL-UHFFFAOYSA-N 437.342 2.328 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)CC2=O)cc1 1567193923 FWFLAZNYUDWYCB-UGKGYDQZSA-N 432.480 2.470 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCCCOc1cccc(C#N)c1 1583704829 JYBCRQLRFSNZBS-GOSISDBHSA-N 436.530 2.075 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2ccnc2C)nc1 1587684150 UAWOUBSJIYWHLY-LRQRDZAKSA-N 435.532 2.397 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1588058882 DXGKMTGNGXQKHR-NRFANRHFSA-N 440.569 2.151 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(=C)C 1588219703 ZLNCSTVUYYAKSP-UHFFFAOYSA-N 430.512 2.248 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCOCC2)CC1 1588837571 YNOFQUMRMOJTJD-UHFFFAOYSA-N 436.604 2.112 30 10 IEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1589036228 ADTYSMDISNKERG-GHTZIAJQSA-N 436.585 2.340 30 10 IEEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCCCC1 1597381178 NCLDYOMBXQTPRW-SQNIBIBYSA-N 438.590 2.499 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3Cc3ccc(O)cc3)CC2)c1C#N 1612469755 FXZGFXVZEXLQTG-UHFFFAOYSA-N 434.548 2.471 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCCOC(C)C)CC2)c1C#N 1612472428 SBRUOIANCQJNEE-LJQANCHMSA-N 442.568 2.185 30 10 IEEE C[C@H]1CN(CCCn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCCO1 1612990586 DVHFQTQXEZFHEI-ZWKOTPCHSA-N 428.512 2.314 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c1OC 1616488114 LSPYRUAGKGNUGO-QRQCRPRQSA-N 449.479 2.360 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1617346514 HYINSTCUUFGDDL-QAPCUYQASA-N 434.541 2.283 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1617570015 CHTNMDBKHGUOCC-JPYJTQIMSA-N 435.532 2.109 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1620352942 BXXQSUYYFVPUSR-IBGZPJMESA-N 444.561 2.150 30 10 IEEE C[C@@]1(CO)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c2ccccc2O1 1620475460 AKRRNJQGZWZOOA-GCJKJVERSA-N 426.542 2.107 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c(C#N)cc2C1 1623474624 ODZTYROEFCIVGH-OAHLLOKOSA-N 440.525 2.351 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)c3c[nH]nc3I)CC2)cc1 1623602072 GWUBLYFMYICOOR-UHFFFAOYSA-N 435.269 2.234 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2cc(F)ccc2F)CC1)c1cc[nH]n1 1626348322 BFOCXWPTPLWZKW-UHFFFAOYSA-N 434.443 2.453 30 10 IEEE C#CCN(C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1631971741 NVMLCGUCLKHOSG-WMZOPIPTSA-N 441.594 2.387 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)cc1 1635450790 JBVJNSJVDFHRTQ-LJQANCHMSA-N 427.482 2.239 30 10 IEEE CCN(CC)S(=O)(=O)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464136 UFWJCCHECXEIGK-IUCAKERBSA-N 446.360 2.287 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)C1 1640218520 HESDGRBYJUNMGN-HXUWFJFHSA-N 427.549 2.148 30 10 IEEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1644948132 LZPRNCDRYQRTJM-UHFFFAOYSA-N 427.526 2.323 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)C1 1651801946 NXTIUTHIHHLFNT-SFHVURJKSA-N 431.492 2.319 30 10 IEEE N#Cc1cccc([C@H](O)CN2CCNC(=O)[C@@H]2c2ccc(I)cc2)c1 1656363569 FHIBMOQRCQTDGM-MSOLQXFVSA-N 447.276 2.369 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2cccc(Cl)c2Cl)c1=O 1656778815 LFEONJKXWNMWBU-UHFFFAOYSA-N 438.267 2.413 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675114123 YZBNIEOMGLBARI-SJORKVTESA-N 448.568 2.454 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)NC2CCN(c3ccccc3C#N)CC2)s1 1679274045 LIKKCKAGQLRHEA-UHFFFAOYSA-N 447.586 2.175 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1685583726 UZONUXMHMDATHS-MRXNPFEDSA-N 426.452 2.047 30 10 IEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NC)CC1 1689885745 UIMFDLMVORWELS-UHFFFAOYSA-N 432.532 2.396 30 10 IEEE C#CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689970960 JCORTOHGVNRODY-ROUUACIJSA-N 433.603 2.204 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689988319 MRZSHSHEEYGOJD-AZUAARDMSA-N 433.622 2.150 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCCC1 1690047614 VIBWBVZRISXEBA-IBGZPJMESA-N 432.590 2.240 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCC(F)F 1690054240 RQJDAXJFOAMQFL-UHFFFAOYSA-N 429.471 2.318 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1690174460 DQZJLGPNLXTZSU-GUDVDZBRSA-N 448.589 2.489 30 10 IEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1690184168 DXTWCYVEFNTMKV-KRWDZBQOSA-N 427.574 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690251250 REQHLHWDCYPPOU-RQGSJKACSA-N 427.549 2.485 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1690567488 FRAOBPXKNUKUAZ-HNNXBMFYSA-N 447.540 2.002 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1690596880 COKFKPCPVAMRRP-QGZVFWFLSA-N 425.599 2.472 30 10 IEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690632602 FHYYYMJSLXAUIN-UHFFFAOYSA-N 449.577 2.017 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1690918922 XVDHMPZGAHJHFJ-VQTJNVASSA-N 438.532 2.260 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC(O)CC1 1692659338 FNQQKACOOMUACY-INIZCTEOSA-N 427.509 2.438 30 10 IEEE CC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1693915676 ISBJCCCAFGNUNF-HSZRJFAPSA-N 432.532 2.403 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696381135 XEOGGBSBHAUEHL-UNEBPCJRSA-N 428.537 2.010 30 10 IEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1696722238 HVOASNYEEVJDEQ-UHFFFAOYSA-N 440.529 2.363 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705639488 PFHUOZOCMRBMED-OALUTQOASA-N 446.596 2.087 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705657379 CQEIKDFHPCDDGI-UHFFFAOYSA-N 432.557 2.243 30 10 IEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705771389 RJNIZIAHIYHPME-DLBZAZTESA-N 431.562 2.478 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705824777 AALMXIZHDMCQMB-BZSNNMDCSA-N 425.599 2.498 30 10 IEEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCCC1 1708884487 GUAOWKKBRYSUPX-IRXDYDNUSA-N 438.598 2.177 30 10 IEEE CCc1nnc(N2CCC(c3nccs3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709081304 VILFTBBSAGESDZ-ZCXUNETKSA-N 427.534 2.207 30 10 IEEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1710269431 WHFCULDWNOGWDG-FPOVZHCZSA-N 429.613 2.328 30 10 IEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 1712704816 UKPBUMDPOHYYNM-SAABIXHNSA-N 432.525 2.037 30 10 IEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCC(F)F)C[C@H]1c1ccccc1 1712887967 YMRCGSXXEIFDDR-MSOLQXFVSA-N 444.486 2.426 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CC(N)=O)CC1 1722326996 VKUVJNIPMMYWQU-UHFFFAOYSA-N 441.532 2.476 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1722332012 BXCHCAOWDQDILQ-XMSQKQJNSA-N 428.558 2.346 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1722359741 PXQUJICYWPEHKF-DLBZAZTESA-N 440.928 2.210 30 10 IEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)noc1C 1722426606 FDDDFVCKOUDLKA-UHFFFAOYSA-N 428.518 2.009 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCC(F)(F)F 1722428492 GKUQFPDOYNSCHM-MRXNPFEDSA-N 439.438 2.252 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722556323 PUMXNVDCQCUINO-LBPRGKRZSA-N 440.875 2.281 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCOCC1 1722624349 ARJFZVSTGPZDLL-UHFFFAOYSA-N 434.566 2.058 30 10 IEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(OC)c1 1722638995 VPRKHGLCDYBPKY-UHFFFAOYSA-N 438.488 2.067 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1722689996 CGMIKQVPKBUYQP-UHFFFAOYSA-N 446.939 2.474 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722698356 DWNDBXHJMSSFOX-MJGOQNOKSA-N 429.496 2.191 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N(C)CC(=O)N2CCOCC2)cc1 1722704808 PJTZBKAKHZAUHN-UHFFFAOYSA-N 427.549 2.385 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)COC2)C1 1722713621 GFVIYDFIRJMAAH-KRWDZBQOSA-N 432.546 2.166 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC(C)(C)C)C1 1722724811 GPYTXZCVOKSJDP-LNLFQRSKSA-N 435.569 2.088 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1=O 1723458890 BZRZFWNFIDQFLV-UHFFFAOYSA-N 432.532 2.098 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC=CO1 1729567060 RYQFOLBKOYIDIT-HUUCEWRRSA-N 433.310 2.468 30 10 IEEE COc1cccc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1730240692 CGYJICSMHHUAAQ-OFNKIYASSA-N 441.532 2.299 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1740542031 MYESICNNKHRPAM-OAHLLOKOSA-N 432.546 2.245 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1740622957 LOXIDBBFLYKSKZ-FQEVSTJZSA-N 441.557 2.179 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1740642238 UIHXBQUYRBZDHK-UHFFFAOYSA-N 445.502 2.155 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1740661602 GHLHLYJFLFYLOA-MAUKXSAKSA-N 433.603 2.378 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCn1cc(CO)nn1 1740676851 AOMPHHCCNIJLTH-UHFFFAOYSA-N 434.479 2.226 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](COC)OC)CC1 1740693546 CDXWAODTUMOSJO-INIZCTEOSA-N 448.365 2.124 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1740863879 HSIHCSOLVHYQCB-IRXDYDNUSA-N 443.639 2.299 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1740927114 RBRJKNBXTSDPSV-UYAOXDASSA-N 440.596 2.044 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@H]2C1 1740996396 AUMPRIWFSYGXPZ-GOSISDBHSA-N 430.534 2.293 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1741227580 WBQFXBHPIPHNAG-NRFANRHFSA-N 449.531 2.261 30 10 IEEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1741831690 FAYDRZBRSPFDJV-QAPCUYQASA-N 444.923 2.364 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nnc(C)s1 1744050475 GRJOJXOUBLWXHV-IBGZPJMESA-N 434.545 2.431 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1746474075 FIZWDKXYWJQWFG-KRWDZBQOSA-N 448.531 2.226 30 10 IEEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCCOC)CCOC1 1746729595 XYDLIRYEAOAYIF-HSZRJFAPSA-N 440.548 2.165 30 10 IEEE CNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1748089003 YFLDICAKSFELQG-UHFFFAOYSA-N 438.580 2.232 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN(CC)C2CC2)c1 1748692382 GJCXNRUBKZDRTK-UHFFFAOYSA-N 444.543 2.276 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1748701710 PBXFFTUIXJTKLO-UHFFFAOYSA-N 434.342 2.301 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1748712533 KRLSWAGMNBUKFY-UHFFFAOYSA-N 429.528 2.430 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748823856 DCVLUTSDSUBHCJ-GBESFXJTSA-N 436.578 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(F)(F)F)c1 1748852191 YYJXMTNVFBXKCO-UHFFFAOYSA-N 445.445 2.463 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(CC)cc1 1748863597 AOVQALAQWXKHJF-GOSISDBHSA-N 427.574 2.156 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1NC(=O)CC1(C)C 1748912264 BIJUADFZGOIMDN-OAHLLOKOSA-N 433.354 2.420 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1749487401 CREYPQYXDVLKLJ-WBVHZDCISA-N 449.602 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760316565 UILCINRMMNDBAP-YHELAOLJSA-N 444.580 2.160 30 10 IEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1760348982 UWERGHSTPNBBSI-IAGOWNOFSA-N 425.599 2.245 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1760391664 MIJWEIHGFMHXJJ-UHFFFAOYSA-N 429.546 2.009 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1760461268 MDJVFLAXPLZWDQ-UHFFFAOYSA-N 444.561 2.293 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C)C(=O)C1)C(C)C 1760487737 CJRCWJGPSRIGSK-HXUWFJFHSA-N 425.581 2.261 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1760534212 STVHZDZQPBHVMX-JKSUJKDBSA-N 444.502 2.082 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1760807249 DBFKCWZJUCPFGP-JBYIUTFZSA-N 434.560 2.361 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@@H]1C 1765373765 RQXNCHFIWWPXPM-OALUTQOASA-N 425.581 2.314 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC[C@H]1C 1769112232 IEMAMZIJSAGBNK-JRGCBEDISA-N 441.532 2.395 30 10 IEEE COC[C@@H](Cn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC 1770780902 FWUVXXSVPVQAFU-WCXIOVBPSA-N 436.557 2.449 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCc1nnc2n1CCCCC2 1771281399 GUQXPNDMPQJDLS-UWVAXJGDSA-N 442.568 2.159 30 10 IEEE N#Cc1cnc(NC(=O)c2ccccc2N2CCS(=O)(=O)CC2)c(Br)c1 1852920576 FBDACYJMIIWHJL-UHFFFAOYSA-N 435.303 2.203 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(SC)cc2)C1)[C@H]1CCN(C)C1=O 1857076210 BNIDXQXDVSDGKL-ICSRJNTNSA-N 429.586 2.435 30 10 IEEE CCOc1ccc(/C=C/C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1OC 1860637433 VUXIWCBOHLHPLO-QPJJXVBHSA-N 440.456 2.328 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(CCC)nn2C 1865223871 HAUUTCPQNAKOLS-SFHVURJKSA-N 426.517 2.083 30 10 IEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1 1869027217 LVTSKMMRTWNDDD-LJQANCHMSA-N 439.553 2.320 30 10 IEEE C=CCn1c(C(=O)NCCCCN(CC)CC)cc2c(N3CCN(C)CC3)ncnc21 1873595355 ZINAQXQEUPHZOM-UHFFFAOYSA-N 427.597 2.221 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874309227 LLXFJUBDSVWLKH-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(OC)c2)cc1 1874350381 JJRUYQLJWJPLFJ-SSDVNMTOSA-N 427.486 2.051 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC(N(C)c3cc(C#N)ccn3)CC1)CS2 1890141202 UOZUYIMPNUPKRV-GOSISDBHSA-N 438.557 2.291 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 1993686746 GJSKYWHKYXPTFK-HRCADAONSA-N 427.542 2.332 30 10 IEEE C#CC1(O)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)c(I)c2)C1 2009777964 SQGFXDGIHOEIOO-UHFFFAOYSA-N 442.253 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2060825971 OLRPLJMFMSFHPY-RTWAWAEBSA-N 441.576 2.212 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124532409 KAAKIMPCQSRECF-TWMKSMIVSA-N 446.357 2.396 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)CC1 2232323768 QOFFAXINRGFMGL-UHFFFAOYSA-N 447.341 2.015 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)cs2)OC1(C)C 2248589116 LYFDOITWCOPPDH-INIZCTEOSA-N 431.319 2.447 30 10 IEEE Cc1c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534615 JTXWTNFWJSOARY-UONOGXRCSA-N 436.362 2.059 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2255696480 USWGFZZRVYVXFV-SJORKVTESA-N 429.326 2.215 30 10 IEEE CC(C)(C)OC(=O)N1CC(CO)(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256888771 LZYMUZKCAKVMMJ-UHFFFAOYSA-N 437.321 2.161 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3cccc(B4OC(C)(C)C(C)(C)O4)n3)C[C@H]2C1 2266698839 BDKRAJAQENODDT-IRXDYDNUSA-N 445.369 2.453 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267099253 JHMICHBBXFAVKL-BPUTZDHNSA-N 446.357 2.084 30 10 IEEE C[C@H]1[C@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267128117 NQYUVMXZCIDQHB-GJZGRUSLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC2)C1 2267196867 UHQJKEDBFNLGKM-AWEZNQCLSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267270120 JLNYGLMSNRYWIU-QAPCUYQASA-N 443.353 2.462 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2267529901 RGASLDJDYTZEKP-HNNXBMFYSA-N 448.373 2.015 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267597983 YGOPZKRDMKAFPM-HFTRVMKXSA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267620961 PWGMCMVQCGWKLE-ZWKOTPCHSA-N 446.353 2.398 30 10 IEEE CC(C)(C)OC(=O)NC1(CCCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267876674 OOEVFJSPLFARFU-UHFFFAOYSA-N 446.357 2.343 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268631028 SAGYFHJWIAUTJI-CVEARBPZSA-N 447.341 2.344 30 10 IEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCSC(F)(F)F)OC1(C)C 2282839628 GWWQLPZWBVRORK-UHFFFAOYSA-N 432.320 2.115 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303625705 JXOLXEOPDBOZMX-INIZCTEOSA-N 432.351 2.140 30 10 IEEE Cc1nc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2312859990 WIMGQWHXOPHSBI-MCIONIFRSA-N 449.382 2.488 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3cccnc3)CC2=O)cc1 2325882590 ZUONAYZPSLRGKR-MRXNPFEDSA-N 438.513 2.169 30 10 IEEE CN(Cc1ccccc1)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CC1 2337197180 TVSNCDAFCMHMLL-LJQANCHMSA-N 438.381 2.360 30 10 IEEE N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)O[C@H](C(N)=O)c1ccc(F)cc1 10498274 IGJSCDUICCBROF-AWEZNQCLSA-N 429.351 2.266 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])cc2C1=O 16143657 YTAODRXQUYVVMI-UHFFFAOYSA-N 439.424 2.367 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cn1 20827737 NOCWJPDFZZZRFA-AERZKKPOSA-N 435.464 2.224 30 10 IEEE C=CCNC(=O)CN1CCN([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 27559479 GJQWAMRTNPYPJM-CABCVRRESA-N 429.590 2.090 30 10 IEEE C=CCc1ccc(OCC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c(OC)c1 109009915 DZYZQAKXEKJILI-LJQANCHMSA-N 427.423 2.492 30 10 IEEE C=C(C)C(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2 223811493 BCRHXVRMODUVNA-UHFFFAOYSA-N 439.505 2.055 30 10 IEEE C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCN(c2cc(C)nn2C)C1=O 427127051 SLYZCCJEWGGEAQ-KRWDZBQOSA-N 429.594 2.432 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@H]2CCCO2)c1=O 440379208 HIYYCWKEUVCWPV-QGZVFWFLSA-N 435.505 2.132 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)c(OC)c1 480400362 GXXXIORFFIIBCK-QMHKHESXSA-N 432.517 2.432 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 482590143 HCRFUWQBQRBOQZ-HXUWFJFHSA-N 434.475 2.207 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)C2)c(F)c1 502550296 AVJFNAAUDLEDSV-RBUKOAKNSA-N 428.508 2.154 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C[C@H]3CCCO3)c3ccncc3)C2=O)cc1 511096363 REEQQSPQNZDXDM-WOJBJXKFSA-N 433.468 2.370 30 10 IEEE COc1ccc(C[C@@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1OC 525595020 UFHYTBZUQYDLEH-OAHLLOKOSA-N 431.514 2.257 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 549637122 KHHIGXQGSOBSBX-UHFFFAOYSA-N 437.596 2.388 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CC1 553102662 ZONOERURSDRTAT-UXHICEINSA-N 437.569 2.020 30 10 IEEE CN1CCN(C(=O)c2ccc(-c3noc(-c4cnc(C(F)(F)F)c(C#N)c4)n3)cn2)CC1 569513234 VBCSPVBMIBEXOB-UHFFFAOYSA-N 443.389 2.472 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608967571 BLLIFGSWMLJMSU-UHFFFAOYSA-N 443.511 2.125 30 10 IEEE CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)c2)CC1 610435044 VMXBCMSIBVCYDO-HSZRJFAPSA-N 431.540 2.482 30 10 IEEE N#Cc1ccc(NC(=O)CCN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1Cl 615456455 BKWKBJMFTAJZGV-UHFFFAOYSA-N 447.948 2.010 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O 730726456 FUCWLBBTBBSIKF-LJQANCHMSA-N 441.557 2.363 30 10 IEEE C#CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 731213739 QHEXYODNJOUXHP-PGRDOPGGSA-N 428.579 2.345 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 734291641 XYPGQRAFSCFHSK-UHFFFAOYSA-N 447.423 2.476 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C(=O)OCC)c2ccccc2)ccc1F 742109266 HWILVXPJTMNJEJ-KRWDZBQOSA-N 434.489 2.367 30 10 IEEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 746621734 VIBRSQQUWAOCHF-NOBQPIJMSA-N 427.548 2.180 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 749788674 NPNDBIJGTPROGD-RBUKOAKNSA-N 432.590 2.419 30 10 IEEE Cc1ccnc(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 756254082 PSXAMYWXHDVFFR-UHFFFAOYSA-N 427.530 2.010 30 10 IEEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 767813567 CCDFKMMUNBMBNP-CYBMUJFWSA-N 429.420 2.367 30 10 IEEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(Cc3ccccc3)c2=O)cn1 767881337 NALIKDIMSHEUJU-UHFFFAOYSA-N 432.549 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 767916491 LRFNYHBCBYMWOB-ZDZITJCTSA-N 428.489 2.069 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)[C@H]1CCS(=O)(=O)C1 774044783 CMEPXKWWMJWGRC-SFHVURJKSA-N 447.557 2.366 30 10 IEEE CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 775941928 FGDBFMUSRZCGGI-VLZBMTSBSA-N 435.480 2.347 30 10 IEEE N#C[C@H]1CN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CCN1Cc1ccccc1 779938037 CXMDNQVKOYSPBN-DHLKQENFSA-N 448.523 2.308 30 10 IEEE CN(C)[C@H]1CCOc2c(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cccc21 790239165 FPANWFNPLMFEEY-KRWDZBQOSA-N 428.514 2.139 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)c2cnc(-c3cnn(C)c3)s2)c(=O)c1C#N 791171253 NGLUHPNBCVRBLE-UHFFFAOYSA-N 433.291 2.340 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)Cn2ccc(=O)c3ccccc32)c(=O)c1C#N 791171341 QZZMAKNUVOXXHM-UHFFFAOYSA-N 427.258 2.185 30 10 IEEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 798361464 DTCOJVBPJQVHQY-MJGOQNOKSA-N 430.574 2.352 30 10 IEEE C#CCN(C)c1nnc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1C[C@H]1CCCO1 802690618 AZWAPKWHTMWUDZ-OAQYLSRUSA-N 442.995 2.498 30 10 IEEE CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 856431817 CCDDWCAGRRICPD-TZQQIIETSA-N 435.546 2.461 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 919318597 KBJGQCYKHLVYCH-FQEVSTJZSA-N 426.494 2.210 30 10 IEEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)cc1 1084545918 JJEBFISSKGBIPU-UHFFFAOYSA-N 440.489 2.063 30 10 IEEE CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1124649950 AEKDDJAVGYBDDZ-CQSZACIVSA-N 436.925 2.226 30 10 IEEE COc1cc(N)c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1S(C)(=O)=O 1136161458 MXVOBLREJCRLEI-CQSZACIVSA-N 438.303 2.438 30 10 IEEE CCOC(=O)Cc1csc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1177640003 LNTLUCQRYQVDKW-UHFFFAOYSA-N 435.527 2.256 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)C1 1248675209 FBVYWIGCUFYBDE-MRXNPFEDSA-N 431.338 2.269 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1277137698 NVNHKXGHBVXSPR-MRXNPFEDSA-N 437.518 2.266 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C2CC2)N(C)C)c1 1286309078 HDRJDAWRXOEWCQ-OAQYLSRUSA-N 446.559 2.075 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286390591 BRSQDNXFGQFCNK-OAQYLSRUSA-N 443.617 2.030 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Cl)cn1 1286413926 PZPRRPHKMZSZRC-UHFFFAOYSA-N 449.950 2.075 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCOCC1 1286456909 ZZNFZAUFOKYJKR-UHFFFAOYSA-N 448.502 2.286 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(C(=O)NCC)c2)CC1 1286486402 MDKYBXWNBZHACC-UHFFFAOYSA-N 436.560 2.165 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(Cl)cc2)CC1 1286495408 ZZMQFZZBCRLJSX-GOSISDBHSA-N 427.936 2.450 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286554050 WNGDDOBMEYEXLN-WIYYLYMNSA-N 442.564 2.038 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1286727491 RKGLEMMKTKORFC-IEBWSBKVSA-N 433.578 2.345 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1286749139 LGXDIBNTOAHMIR-MRXNPFEDSA-N 430.534 2.326 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnnn2C)C1 1286798263 JAWLGDHXYHFEAP-IBGZPJMESA-N 436.520 2.105 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1286969074 OBUJDAOPHVGUPD-RCCFBDPRSA-N 448.568 2.404 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCc1cccc(OCC#N)c1 1293360668 BKEVIIJSGZYPHD-ZFVVBOAOSA-N 435.402 2.191 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1295608157 LVSRZIPOVPZDAX-TWOQFEAHSA-N 430.567 2.089 30 10 IEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(C)=O)CC2)CCC1 1296259077 FYNAUSPDWNXRPY-UHFFFAOYSA-N 449.559 2.182 30 10 IEEE C=CCN(C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC 1296420705 NFGFQKCUOGTWKA-FQEVSTJZSA-N 449.511 2.375 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCC[C@H]3CS(C)(=O)=O)C2)C1 1298178557 OJOOBFGBLKMLEO-GWWPLSDWSA-N 439.578 2.199 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300400746 KNKASYCWYVCCKL-KNQAVFIVSA-N 435.576 2.132 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1Cc2ccccc2O1 1300544768 FFUFMKGYOZZFJE-SFHVURJKSA-N 431.521 2.346 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(C)(=O)=O 1300872613 BPDKZGPMQFPVDV-QFBILLFUSA-N 448.545 2.136 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1300970664 ZVEANMMJWQRVHU-CVDCTZTESA-N 446.596 2.477 30 10 IEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300991633 WCMQVXSSVATIMT-JOCHJYFZSA-N 432.569 2.274 30 10 IEEE COCc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1301167197 FYXOKQFRKSIERB-KKSFZXQISA-N 446.577 2.213 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC)C1CC1 1301321937 AZKJQXBNQCASAB-UHFFFAOYSA-N 435.532 2.119 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301506303 IPEIIEHKPNMXOS-OXJNMPFZSA-N 425.533 2.183 30 10 IEEE C=C(C)C[C@@H](NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)OCC 1303112643 YLCOKZWRNNVKQH-LJQANCHMSA-N 437.562 2.433 30 10 IEEE CCCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1306768369 SJYMTRXGQCPUAH-PKOBYXMFSA-N 440.552 2.323 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)NCc1ccc(C#N)cc1)C[C@@H]2C(=O)OC(C)(C)C 1308064385 GEVQUZFTLOBLTA-IQJRZOLZSA-N 441.528 2.017 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315255438 UULIYEMOIVZMDZ-ZSVKVYQISA-N 430.553 2.398 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1316189171 NEDOTBXZOPQLCC-TXTKFYIRSA-N 448.612 2.489 30 10 IEEE COCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316230092 PGDIFJSSDBXKLK-IBGZPJMESA-N 425.537 2.047 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(Cn4ccccc4=O)cc3)CC2=O)cc1 1318155261 CWOXSGPEWNSTFP-OAQYLSRUSA-N 426.476 2.438 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)c1 1350925071 YXLXSBNOYAIDBA-JPYJTQIMSA-N 429.517 2.479 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1358932400 JJCCIDSLWVBNBJ-INIZCTEOSA-N 447.572 2.424 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358965772 AZMYGFYHZPTWAZ-SKINQDTJSA-N 434.606 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COCC 1358994515 OZIUGCKBQGYOPE-NRFANRHFSA-N 440.569 2.228 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC(F)(F)F)CC1 1359034501 SYDYVWDXDXOXRU-UHFFFAOYSA-N 445.449 2.381 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359121967 QBULNTUEOWNOSG-VQTJNVASSA-N 430.597 2.271 30 10 IEEE C=C(Cl)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359157194 BHQGUIJZMHWWOX-BEFAXECRSA-N 438.916 2.341 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359215619 GEGPJCOMZUELMW-FXAWDEMLSA-N 427.505 2.098 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccco2)C1 1359295918 RESNSRVAMZNJCW-INIZCTEOSA-N 428.880 2.467 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CCC)C1 1359300423 BDYNXSVPGAPHCA-VQIMIIECSA-N 427.505 2.098 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1359334941 VHVKHIXWIKRNNR-RTBURBONSA-N 441.557 2.422 30 10 IEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)c1 1444254836 CUSPNKMIRVJVEG-UHFFFAOYSA-N 447.463 2.038 30 10 IEEE C[C@@]1(c2cccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)c2)COC(=O)N1 1462510957 YRDNRPPTHDEWHZ-FQEVSTJZSA-N 428.470 2.086 30 10 IEEE Cc1noc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)C)n1 1463512682 IYPPOIZHMWSGLT-SFHVURJKSA-N 431.518 2.164 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2noc(CC)n2)CC1 1464877598 BAODTZKHDTWHBJ-CQSZACIVSA-N 427.933 2.312 30 10 IEEE C=CCn1cc(CNC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)nn1 1466767982 NDRHLQAUFPSREN-UHFFFAOYSA-N 425.424 2.472 30 10 IEEE COc1ccc(N2CC[C@H](CNC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)cc1 1469280557 OYJBHSAGFKQNDJ-QGZVFWFLSA-N 442.541 2.062 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 1469872940 XVGOWGBOQCFQMW-HXUWFJFHSA-N 433.505 2.290 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 1470253002 DFMYNSUPFILOSV-UHFFFAOYSA-N 432.524 2.115 30 10 IEEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1471608226 ASVPMSNAJYGYLC-LSDHHAIUSA-N 427.461 2.370 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)nc1 1471983894 KPNVAXLOVPDZCZ-PMACEKPBSA-N 432.528 2.372 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)c1 1472379454 KJYORKHBGIDSLY-OAQYLSRUSA-N 446.525 2.382 30 10 IEEE C=CCn1c(SCC(=O)N=[S@@](C)(=O)N(C)C)nc2sc3c(c2c1=O)CCC3 1472928960 INIZHJLJRDZPTG-HHHXNRCGSA-N 426.589 2.326 30 10 IEEE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@](C#N)(c4ccccn4)C3)CC2)cc1 1473703771 YYQYCOSIJHFSBB-DHLKQENFSA-N 435.572 2.130 30 10 IEEE CNC(=O)C(C)(C)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1503703468 LSDKSJSEOUJZSD-HRCADAONSA-N 447.584 2.417 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(F)(F)CO1 1504887055 LWNCAMBZPBQCCB-QGZVFWFLSA-N 445.474 2.307 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)c(OC)c1 1507669969 WIFOOPDJWFYEIC-QGZVFWFLSA-N 446.960 2.353 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1507708000 BNAQOZODGFRNJO-UHFFFAOYSA-N 446.555 2.307 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCC(=O)N(CC)CC)CC1 1507734350 VZEHSIUQDKJLLZ-UHFFFAOYSA-N 430.597 2.190 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1507906019 ZISXLVOIEGYRKQ-INIZCTEOSA-N 429.550 2.024 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1507924162 JJRGHMJELUAHIZ-VAMGGRTRSA-N 425.533 2.093 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C)c(C)s2)C1 1508126722 SFZSLRGPPMAYNP-CVEARBPZSA-N 437.591 2.083 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccoc1C 1508131516 NLJWJWNOUHGXIA-UHFFFAOYSA-N 444.517 2.064 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCN1CCOCC1 1509001153 GZRKXGNKRLYRSZ-UHFFFAOYSA-N 438.580 2.107 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC(C)(C)O1 1512501679 UWPHSUSNZASYRI-LSTHTHJFSA-N 441.532 2.272 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1513168626 BYUHFAMRKREWIJ-INIZCTEOSA-N 439.520 2.010 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2OC)cc1 1525526742 JEJJUNVLIFKZGY-AWEZNQCLSA-N 425.441 2.127 30 10 IEEE Cn1cc(CNC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)c(-c2ccc(C#N)cc2)n1 1536887687 LYYALYQFMCQWEM-UHFFFAOYSA-N 447.495 2.392 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4c(C)cc(C#N)cc4C)CC3)C2=O)n(C)n1 1538351938 PFICBSFBEMRCOB-FQEVSTJZSA-N 434.544 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1538984934 STJVBBKLACIHLF-GFCCVEGCSA-N 438.351 2.086 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1539232637 KTAHDQIMNAAQNE-VWLOTQADSA-N 444.539 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H](C)N1CCOCC1 1539337399 NVZATWJNXIKNEF-HXUWFJFHSA-N 437.544 2.049 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](OC)C2CC2)CC1 1539441053 JPAVIXUAWTYWHM-NRFANRHFSA-N 425.533 2.143 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccccc2OC)CC1 1539453257 HCXXAIKWTRSMHG-FQEVSTJZSA-N 446.555 2.495 30 10 IEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1539519449 IMWTXGWLLOSBJN-IBGZPJMESA-N 431.993 2.410 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCCC)CC1 1539847977 JTLDQBGJAPAYAZ-KRWDZBQOSA-N 448.568 2.269 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539848184 MRHKEEVQKAOKRE-INIZCTEOSA-N 439.582 2.204 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1(S(=O)(=O)CC)CC1 1539899122 LTCXFTPYRNTTHL-UHFFFAOYSA-N 445.335 2.182 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1545708182 DNMCAIZKYDBADA-SFNKJDCFSA-N 432.569 2.230 30 10 IEEE CC[C@]1(C)CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1546072443 FKWCWTYDGVXLAZ-KMAZBDISSA-N 428.537 2.325 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CNC(=O)c3ccccc32)n1 1546216477 UTAXJINMCGBSBP-CQSZACIVSA-N 426.527 2.266 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(C#N)o1 1548191514 RKCRAKQUDSDKCU-KRWDZBQOSA-N 446.508 2.057 30 10 IEEE CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](C)C(=O)OC(C)(C)C 1557479188 MKFJQMWVBKQOLC-PBHICJAKSA-N 428.489 2.342 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 1561680144 WPMRKFIPPDHIAG-QGZVFWFLSA-N 429.542 2.416 30 10 IEEE N#Cc1ccccc1N1CCCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 1564845817 DDMZHERTAOJDNZ-UHFFFAOYSA-N 444.333 2.404 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)s1 1566301344 NNIRWYJSEUIYMC-UHFFFAOYSA-N 446.547 2.077 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)c1 1569703062 MAINQBPFKGWFJZ-UHFFFAOYSA-N 441.553 2.414 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)c(C#N)cn3)CC2)cc1OC 1585002605 ANGQVLUHKFLSEP-UHFFFAOYSA-N 444.513 2.318 30 10 IEEE CN(c1cccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1)S(C)(=O)=O 1586137725 QRMNEHWEGNZDAT-QGZVFWFLSA-N 438.550 2.286 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)nn2C2CCN(C)CC2)s1 1587384334 GHSLTCMAEIHZRN-UHFFFAOYSA-N 437.591 2.165 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c1 1587522137 LLQOCKBIALBAOV-UHFFFAOYSA-N 436.537 2.089 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1Cc2ccccc2O1 1588174538 WXSLIOHATLHXEL-LJQANCHMSA-N 426.480 2.392 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(C)cc1 1588228981 OIMKJILPHIPXTD-VQTJNVASSA-N 440.569 2.419 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1588258945 NVESPQCLVMDTIO-FQEVSTJZSA-N 437.544 2.498 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(C)(C)O)c2)CC1 1588864479 DUMJUURRVORNAB-UHFFFAOYSA-N 447.587 2.171 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1594788933 VQEIYLRKLDITKZ-QGZVFWFLSA-N 428.449 2.087 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1594856541 GULGXLQQKUVHBI-CQSZACIVSA-N 438.623 2.479 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C(C)(C)C)c(=O)nc1O 1595201708 DTLWHHAIJKOUIU-CYBMUJFWSA-N 428.917 2.356 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595411299 DSESWQMYUMQYPI-HRAATJIYSA-N 444.530 2.322 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1595461263 RNVSUGIEUZSEFR-RCCFBDPRSA-N 437.610 2.387 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)SC)C1 1595699627 FZJVITZNDYXIPL-YJBOKZPZSA-N 426.550 2.454 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1596595049 CKYQYZSUJJYGCE-MRXNPFEDSA-N 435.525 2.478 30 10 IEEE CC(C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1597846575 BFFUVGOUWBMLFZ-UHFFFAOYSA-N 438.532 2.091 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)[C@H](C)C1=O 1607493378 IFKQDXFCNFGBAU-QGZVFWFLSA-N 449.559 2.036 30 10 IEEE Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)C2)n1 1612473108 FMUHGNOWALQXMM-FQEVSTJZSA-N 447.547 2.391 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623849537 CEVLHXZDJLUJID-VGOFRKELSA-N 429.521 2.016 30 10 IEEE COC1(CO)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1628121070 ZIUYWDFPDLXMSV-LJQANCHMSA-N 429.517 2.392 30 10 IEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1628631795 ADUANZXSQTXUCO-QGZVFWFLSA-N 436.530 2.043 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)N(C(=O)OCc2ccccc2)C1 1629068448 HIXKAMOPJPKVSW-RTWAWAEBSA-N 449.511 2.028 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)s1 1632337865 GBMAALYDFCBCIE-VQIMIIECSA-N 433.599 2.392 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC12CCCN(CCC1)C2 1634626442 NSGPMIDKRAOMMJ-SFHVURJKSA-N 432.590 2.132 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCN(CC(F)F)C3)C2)C1 1636570098 HBMSUDWREHIAAE-SDMXJPDVSA-N 426.508 2.476 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H](CC#N)C(F)(F)F 1638790310 GCLHJMWMULESKK-HZPDHXFCSA-N 449.451 2.112 30 10 IEEE CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1640257205 NEZOVGAJGPVZQV-UHFFFAOYSA-N 448.541 2.467 30 10 IEEE Cc1ccc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(C)c1 1641117686 HBUSBDZMVPJBKW-GOSISDBHSA-N 440.569 2.469 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)c1cc[nH]n1 1644131997 QHSOPVQZXFGPAT-NSHDSACASA-N 428.367 2.470 30 10 IEEE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1644174695 FKGGOOLRHGHXLU-DLBZAZTESA-N 428.489 2.342 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 1649053299 DBQOMGCGVJNTTJ-IRJFHVNHSA-N 431.535 2.218 30 10 IEEE Cc1cc(N(CCC#N)C(=O)CN2CCn3c(nnc3-c3cn(C)cn3)C2)ccc1Cl 1659829045 VZUOTQFBBIMVAM-UHFFFAOYSA-N 438.923 2.403 30 10 IEEE CC(=O)N1Cc2ccc(S(=O)(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2C1 1661318235 FHWGOBYDTKMLRU-UHFFFAOYSA-N 426.542 2.173 30 10 IEEE C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1664407834 ZMWCNIOSYALZLD-QGZVFWFLSA-N 430.592 2.381 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1 1669504003 CCFUHEFUOZIAHO-HNNXBMFYSA-N 431.489 2.177 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3nc(C4CCOCC4)n[nH]3)CC2)c(Cl)c1 1675089606 LKWOMLMXIAOQKU-UHFFFAOYSA-N 429.912 2.256 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCOC34CCCCC4)CC2)cc1 1685592654 WCHALTDCDPOWGQ-IBGZPJMESA-N 432.546 2.066 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689920761 JCOYRHXIAHTAOG-KRWDZBQOSA-N 432.546 2.389 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C2CC2)C1=O 1689948915 KIAOITPTNNFBOU-IBGZPJMESA-N 431.338 2.126 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCNc1nccc(C(F)(F)F)n1 1690011724 AOCFFNJJRSKZHO-UHFFFAOYSA-N 426.406 2.334 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1690059471 QINFALRBSKRGAB-INIZCTEOSA-N 446.577 2.113 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC)C1CC1 1690543945 URPWCEAPHRSUNU-QHCPKHFHSA-N 438.532 2.134 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCC2)nc1 1690609464 PFGYIPGHTZJISB-UHFFFAOYSA-N 439.564 2.196 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1690917071 FTLJWEJFJIXXFY-QGZVFWFLSA-N 448.474 2.115 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1690922930 CFTOMOVRFSHUMA-OAQYLSRUSA-N 438.532 2.117 30 10 IEEE CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)C2)CC1 1692494047 BBWCECQITDAFGN-OAQYLSRUSA-N 437.592 2.192 30 10 IEEE CC(C)OCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1692617941 ZIIDINUYMAALIL-NFBKMPQASA-N 446.596 2.310 30 10 IEEE Cc1ccc(CN(C)c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1693080178 HVEQSERDXLLKPP-XUTLUUPISA-N 435.488 2.348 30 10 IEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1697335229 ZAFHBFOLLBMACI-RLBWVDARSA-N 435.488 2.218 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC(C)(C)C1 1698136559 ONXNHEAUDBVLDS-SFHVURJKSA-N 434.585 2.243 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705527067 VGUHOLGWQNPLTL-QAPCUYQASA-N 442.472 2.498 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1705543251 ABEZSPTVXDNVHH-UHFFFAOYSA-N 428.500 2.259 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1705556543 CRRLFQLZLCSGDN-FMQUCBEESA-N 440.891 2.106 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705617136 NVPFSVADKDTBBV-QGZVFWFLSA-N 430.553 2.260 30 10 IEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCc2ccco2)CC1 1705777070 WJXFVVCXXOWIEO-QFIPXVFZSA-N 429.521 2.242 30 10 IEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC2CC2)CC1 1705785829 YPHHSZYHAATUHZ-OALUTQOASA-N 438.594 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCC2)CC1 1705937008 FIGKZVYLYQUIQW-UHFFFAOYSA-N 435.619 2.206 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1711444353 HZUZKEREZQREAO-QGZVFWFLSA-N 436.447 2.429 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1711606217 CRQWLRARSDKLQO-JOCHJYFZSA-N 436.520 2.416 30 10 IEEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(F)(F)CO1 1712887163 WDUSGTBUASZZEY-OAHLLOKOSA-N 431.447 2.480 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCS(=O)(=O)C1 1722292459 NOJSGZDJEAHLLQ-HZPDHXFCSA-N 425.514 2.493 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccsc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722366442 RSYYIOLSIBAKLF-MOPGFXCFSA-N 435.619 2.358 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722460037 BNLWLUUWXBEMSI-OAQYLSRUSA-N 429.521 2.405 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722629234 OAOFDVGLJVPQCS-INIZCTEOSA-N 444.502 2.066 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1722700911 YQFVKZVJKCMTSL-UHFFFAOYSA-N 442.539 2.051 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)C1 1722719293 SKMVEIGLPGSMHL-IPMKNSEASA-N 438.594 2.311 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1727135577 CFKQLHOCSOUZGD-WOJBJXKFSA-N 443.573 2.374 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1728201204 AVUIFTBFHVQCGQ-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729246433 RVZYVSUPURWMTN-ISOMHIKHSA-N 443.573 2.390 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1740537822 ZZCYYELFXAYZSQ-RBUKOAKNSA-N 440.592 2.446 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC(=O)N1 1740635084 HBRRENIULSUBEP-MRXNPFEDSA-N 426.318 2.367 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](Cc2ccccc2)OC)CC1 1740697960 KGSHVKBVXZERGC-HSZRJFAPSA-N 430.556 2.277 30 10 IEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740710627 BDFSEBRBNKAHBH-QGZVFWFLSA-N 437.610 2.063 30 10 IEEE C#CCSCCn1c(N2CC[C@H](N3CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1740722307 GLXNGLRZULEENG-UGKGYDQZSA-N 433.622 2.361 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1740859804 REAWKKNTAAOWFV-QGZVFWFLSA-N 431.562 2.407 30 10 IEEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1740964369 BFFMDLGLSCMIOO-HNNXBMFYSA-N 444.540 2.172 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)C1 1741076283 FHCVUZXWBXLUDM-OAQYLSRUSA-N 449.559 2.324 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CCCO 1741127508 CZEBDVSCBJVLSN-HKUYNNGSSA-N 440.548 2.159 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(=O)NC)c1 1744035932 HFHSBGMECHWOKY-UHFFFAOYSA-N 437.548 2.344 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nccnc1C 1748671571 LACKHWFHEKNAGW-KRWDZBQOSA-N 431.548 2.251 30 10 IEEE C#CCCCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1748763965 DYNKEHHESNTLDK-OAQYLSRUSA-N 445.593 2.084 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748812094 PSQOYTCRXBHGKO-INIZCTEOSA-N 443.479 2.293 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2ccccc21 1748826064 LMMZIDZYEXTMHA-PKOBYXMFSA-N 425.558 2.081 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCC)CC1 1749370874 RKTHXYNNEVYHAE-UHFFFAOYSA-N 425.581 2.124 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1749430679 VLLDQSQKSFCEPS-QGZVFWFLSA-N 444.486 2.436 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1749575856 YDOGPMYWRAOVBI-SFHVURJKSA-N 431.562 2.259 30 10 IEEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749698431 SKXGCDLKZAQJEN-KNQAVFIVSA-N 437.592 2.458 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(CCN(C)C)CC2)C1 1749719442 VLTHBFNJRXAYOK-NHCUHLMSSA-N 432.613 2.185 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCOCC1 1749828139 UUWCTIWRROIGKP-MRXNPFEDSA-N 433.944 2.081 30 10 IEEE COCCOCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1750094704 IWSBPSFPZKCXCN-UHFFFAOYSA-N 427.553 2.222 30 10 IEEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1750198031 CEOZWGCQIRMRML-OALUTQOASA-N 429.546 2.399 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1752549657 VXWXXTUULREVPW-IERDGZPVSA-N 433.578 2.485 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1760097595 HQJKVTBDSDYXCU-MSOLQXFVSA-N 445.589 2.095 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760146721 UUNUDIPEGJYWSC-SFHVURJKSA-N 438.594 2.353 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cn(C2COC2)nn1 1760164727 YVWRIWFGAGMZEG-INIZCTEOSA-N 437.504 2.097 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCCC2)nc1 1760201849 KNUWHIGHNSEHSI-FQEVSTJZSA-N 431.544 2.126 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CCCO1 1760202173 VJVSYUKYUBTGIT-DEOSSOPVSA-N 430.512 2.317 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1 1760218367 FHMNDFKLWUDCHV-NVXWUHKLSA-N 431.587 2.212 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C)CCOCC1 1760248836 RKAWJZWTXADRKP-UHFFFAOYSA-N 436.516 2.497 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1760277536 NYKMLAPKRGIFAS-KRWDZBQOSA-N 441.557 2.045 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760279416 CQGFPZAILKLQFZ-UHFFFAOYSA-N 449.588 2.342 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)OC 1760319774 ULQCZTXVWJHOOR-FUHWJXTLSA-N 435.550 2.174 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)CN2CCCC2)CC1 1760396326 AQSSRBGWZDDCBD-KRWDZBQOSA-N 438.642 2.413 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760512062 BEQCFMLLSVKWDW-UHFFFAOYSA-N 443.939 2.490 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1760515029 JRYMPRJHJAPPKT-KRWDZBQOSA-N 447.543 2.066 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](COC)C1 1760516829 WIOPSVRXIGOTKR-QAPCUYQASA-N 449.939 2.225 30 10 IEEE C=CCNC(=O)Cn1c(N2CCSC(CC)(CC)C2)nnc1[C@]1(OCC)CCOC1 1760528856 ORKNBCSBDPWJQF-NRFANRHFSA-N 437.610 2.344 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCOC1 1761276057 USKAQAQTVDKBGX-NZQKXSOJSA-N 441.532 2.242 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCS1 1763179385 VBHVHGQFJQCEKM-HRAATJIYSA-N 429.546 2.476 30 10 IEEE COc1cccc([C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)c1 1768767838 DDONIXGLFCKCIZ-KNQAVFIVSA-N 436.495 2.489 30 10 IEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccco1 1770361031 VFZDKIHKWGQUQI-KRWDZBQOSA-N 426.502 2.300 30 10 IEEE COc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1770483300 MCNJRPYFLVQCSB-XMSQKQJNSA-N 427.505 2.104 30 10 IEEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)F)CC1 1770741068 VHYVSGQEJCUEOG-KRWDZBQOSA-N 447.490 2.047 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770790903 DFWLPEGHQOTXGW-QZTJIDSGSA-N 429.500 2.097 30 10 IEEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 1852036637 OWHRMYKCHWAXLW-UHFFFAOYSA-N 437.891 2.154 30 10 IEEE C=CCN(CCCC(=O)Nc1ccc(I)cn1)[C@@H]1CCN(C)C1=O 1852960048 POLAPZDBIIRJQE-CQSZACIVSA-N 442.301 2.124 30 10 IEEE Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)cc1C#N 1854506860 LEUJQDDIIZNURO-LJQANCHMSA-N 429.542 2.041 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccnn2CC)CC1 1855607281 JLQXKRQSBZUEPO-UHFFFAOYSA-N 428.514 2.363 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(CC)nn2CC 1864326399 BHIUCPXRYVOAME-SFHVURJKSA-N 426.517 2.223 30 10 IEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN1CCOCC1 1870424674 PHQXXAKLIRPRJC-UHFFFAOYSA-N 427.501 2.201 30 10 IEEE C#CCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870560802 MMZKSSHRWPTBMH-UHFFFAOYSA-N 433.487 2.160 30 10 IEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1871007271 UBQXWYLRUXJLME-UHFFFAOYSA-N 441.528 2.212 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519807 ZJWGNVKFSJFJOW-UHFFFAOYSA-N 435.492 2.244 30 10 IEEE COc1cc(F)cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1889423386 WBQGLEIJBVRJDV-UHFFFAOYSA-N 431.552 2.485 30 10 IEEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC(COc3ncccc3C#N)CC1)CS2 1891143642 IZUNUMLGCQAIGP-QGZVFWFLSA-N 425.514 2.173 30 10 IEEE C=CCN(CCC(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985010953 IKQDCBFOYYSBAS-UHFFFAOYSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@H](C(=O)O)C(C)(C)S)Cc1ccccc1 1990689240 XPFGUXBVKFUJGE-QGZVFWFLSA-N 439.578 2.291 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060823182 FIILWHRNCLWLER-WOJBJXKFSA-N 438.532 2.082 30 10 IEEE CC1(C)OB(c2cnc(OCCCN3CCOCC3)c(Br)c2)OC1(C)C 2175864153 NHVJJNJHJVIVAV-UHFFFAOYSA-N 427.148 2.244 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N[C@H](CS)C(=O)O 2229107181 GTPGCIMOUQRFQP-CHWSQXEVSA-N 447.351 2.384 30 10 IEEE CCC[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2248401449 JBQFWDQPLKEJAL-LBPRGKRZSA-N 440.375 2.233 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2250301508 OTVCWOQFPKFWHD-TZMCWYRMSA-N 437.371 2.475 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626557 HITWLLLXBUUTEU-AWEZNQCLSA-N 434.346 2.038 30 10 IEEE CCn1cc(C(=O)NCCCN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255653201 FZGZRBMLGDNNAU-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)cs2)OC1(C)C 2255713334 ZLQVUXNCTYAYHV-STQMWFEESA-N 444.284 2.425 30 10 IEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255814333 ZQMUETNZTCWJBU-CHWSQXEVSA-N 449.382 2.380 30 10 IEEE C[C@H](CCCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255831607 YMWDGHLIJQAJOA-CQSZACIVSA-N 436.362 2.143 30 10 IEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266997155 SUIKLSDXPZMUQS-HIFRSBDPSA-N 448.373 2.013 30 10 IEEE Cn1ncc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)c1B1OC(C)(C)C(C)(C)O1 2267002844 GSLTXCDRBIVZKS-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@@H]21 2267093157 RAZCAVUJHKWVNC-BPUTZDHNSA-N 446.357 2.227 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267132184 MNLMGOTZCQBDMB-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267538603 UYWYHSFWPCRIQF-HNNXBMFYSA-N 446.357 2.153 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267549959 SHULUKHQEWEWIG-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267614931 VKZUZWPXBMZEFV-HOTGVXAUSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870536 FRAYUCQULGVFEB-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879175 GAFWLQALPWYYGC-CABCVRRESA-N 446.357 2.199 30 10 IEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C(=O)OC(C)(C)C 2267879851 MBNDMBQAVBGBJC-GJZGRUSLSA-N 446.357 2.246 30 10 IEEE Cc1nc(NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268679507 FIFMJKXFZOWJTH-CQSZACIVSA-N 444.341 2.280 30 10 IEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)(C1)C2 2268716127 MEAGKBXHMCQJSB-HZCBDIJESA-N 445.325 2.146 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2269710855 GTLRLLDOBIYCKS-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2271374054 DUDCUAGRPFQDTH-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271387133 MIFBOKMZAYPVCV-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1 2296088678 KQGFZMVGADOEEK-HXUWFJFHSA-N 425.485 2.472 30 10 IEEE COc1cccc(C=C2Oc3cc(OCC(=O)N4CCN(C)CC4)ccc3C2=O)c1OC 2296557164 ORHBMYCMYCZPJW-UHFFFAOYSA-N 438.480 2.473 30 10 IEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304825350 NYTDWEIOJUZAPJ-HXUWFJFHSA-N 425.310 2.208 30 10 IEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315538475 JKFGRMGGTWERSA-CQSZACIVSA-N 436.362 2.095 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C=Cc1cc(OC)c(OC)c(OC)c1 2323674643 NDBRDVRZHJZEJS-LJQANCHMSA-N 440.496 2.461 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2337203364 WPXYPNAVAXVONI-CQSZACIVSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2340493904 DLVVPHXWIXBRQG-UHFFFAOYSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H](N)C#Cc2ccccc2Br)(S(C)(=O)=O)C1 2351714592 LUFGENDJVJUWKQ-HNNXBMFYSA-N 443.363 2.162 30 10 IEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C(\C)c3cccs3)n2N)cc1 21325267 CEZNVIAUUXBGLZ-CIAFOILYSA-N 431.547 2.307 30 10 IEEE Cc1nc(CCNCc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)n[nH]1 34818180 HKHIYXWNWVHHMU-UHFFFAOYSA-N 441.442 2.241 30 10 IEEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)c1 254404921 AINBMLNTLNCNAX-UHFFFAOYSA-N 446.485 2.424 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 303386231 MQCAQTVYLSUNCS-QGZVFWFLSA-N 446.467 2.443 30 10 IEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)C1 443317232 HYQDXMRPOARTGG-AOCRQIFASA-N 446.573 2.492 30 10 IEEE Cc1cc2c(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4C#N)CC3)ncnc2s1 444218427 KPAPNDYFNKHAMZ-UHFFFAOYSA-N 444.498 2.291 30 10 IEEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 460782609 AZNMQZDOAWANBX-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2C1 487328973 AUTSSMSBTVTTCL-GUYCJALGSA-N 430.306 2.339 30 10 IEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(CCC(=O)N(C)C)CC1 508746508 KNUYFLINEGIVEZ-UHFFFAOYSA-N 447.381 2.494 30 10 IEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 511440650 CNZHYWIJNIIGSX-UHFFFAOYSA-N 444.532 2.232 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 521708958 NSVRFLHCMDEKBP-UHFFFAOYSA-N 428.495 2.421 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1n[nH]c2ccc(I)cc12 537152122 CJYOGPAGRMFXCV-UHFFFAOYSA-N 449.256 2.049 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 545561538 SPGPKLXUFJKXFD-IBGZPJMESA-N 447.377 2.413 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)NCCN=c2cc[nH]cc2)n(-c2ccc(C#N)cc2)n1 551494470 IQYKEEIDHVPXOD-UHFFFAOYSA-N 431.500 2.025 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 552715438 OWMGDZWSDMODNK-IFXJQAMLSA-N 441.575 2.137 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 568330866 CJIVOQUVDMGREN-SFHVURJKSA-N 430.505 2.183 30 10 IEEE C[C@@H]1CN(Cc2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)C[C@@H](C)O1 573851683 UOSJVRKHPKLVFW-IAGOWNOFSA-N 442.541 2.084 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 576743152 KWOPBZZFDYOZEH-GOSISDBHSA-N 435.525 2.105 30 10 IEEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 582836050 JKPYOOYOOGCWNQ-UHFFFAOYSA-N 428.496 2.027 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 586858291 GDEQCZCEBKMTBA-IEBWSBKVSA-N 444.582 2.416 30 10 IEEE N#Cc1cncc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)O)c1 589542871 ADAVAAAEWPZKSN-MRXNPFEDSA-N 449.286 2.171 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccc(F)cc3)c2=O)o1 590972624 CGLPMJSJVKEHEI-UHFFFAOYSA-N 425.485 2.215 30 10 IEEE Cc1c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cccc1C(=O)N1CCSCC1 609256033 SQDOSKCAHXCAIW-UHFFFAOYSA-N 440.500 2.450 30 10 IEEE COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 619569754 GPECYMLJKWRNGO-QGZVFWFLSA-N 425.876 2.069 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416220 JSLKSKFRJPJRRP-AWEZNQCLSA-N 436.489 2.381 30 10 IEEE O=C(COC(=O)[C@@H]1CNC(=O)N1)N=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1 732364173 YCERSYPPSNQRJK-INIZCTEOSA-N 446.385 2.223 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707980 KAJSPZDUHIYAFA-OXJNMPFZSA-N 437.544 2.004 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795705 UPTNUGMHUXYHIH-SFHVURJKSA-N 442.585 2.375 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 743672199 VZTKFLFPWDDMIM-LJQANCHMSA-N 428.533 2.423 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3cc(C)ccc3F)c2=O)cc2c1OCCO2 744121954 RHISHWZAJCIWEC-UHFFFAOYSA-N 449.463 2.153 30 10 IEEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cnn([C@H]2CCOC2)c1 752006847 IUIKFNVIYALQQZ-NSHDSACASA-N 428.264 2.255 30 10 IEEE C#CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 780905562 SZYZWPIVWOJLHZ-UNMCSNQZSA-N 427.522 2.338 30 10 IEEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)cc1 783070757 WTVSLKNLXSGJDK-KRWDZBQOSA-N 431.489 2.046 30 10 IEEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 787058161 IDHZCZCLJBUXQY-DZGCQCFKSA-N 442.378 2.251 30 10 IEEE C=CC[C@]1(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CCCN1C(=O)OC(C)(C)C 790699096 SVHULTWEYCWDNW-GIMINZRKSA-N 431.537 2.376 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](c2cnn(C)c2)C1 849584544 XTKWOOTZOUPRDG-YTFSRNRJSA-N 448.571 2.023 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856616193 SJNSWUYTFORZPA-OTWHNJEPSA-N 443.548 2.341 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(NS(C)(=O)=O)ccc3OC)cc2C1=O 1129097583 IRGRFQCYOPNLMO-UHFFFAOYSA-N 429.454 2.101 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]([C@H]3CCOC3)C(F)(F)F)CC2)cc1 1134510049 CDHPJCGWEMCRTQ-RDJZCZTQSA-N 445.463 2.043 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1137587806 KKTQZDOFGMULCL-MOPGFXCFSA-N 436.597 2.249 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C)c1cc[nH]n1 1147494834 ZPZPPUJWXBTIFF-QGZVFWFLSA-N 432.452 2.211 30 10 IEEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCC2(C#N)CCCC2)C1=O 1164482256 XNVSDWJJRFCXFS-SFHVURJKSA-N 433.306 2.416 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 1175992576 QZNSOLWNMFMBSE-XWSHUIEDSA-N 426.561 2.453 30 10 IEEE O=C1NCCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(C(F)(F)F)cc1 1192966918 YYSLOEFMJAOKQS-LJQANCHMSA-N 441.409 2.478 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 1255255994 LNSXTKWZQUDKKE-UHFFFAOYSA-N 441.557 2.240 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286360397 GJDDVXHTKQZHBF-APFMSCDFSA-N 438.463 2.153 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286396069 UDXQIHONUAFLQH-RTWAWAEBSA-N 442.585 2.350 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1286430222 FWDPREMFEQDNEX-OAQYLSRUSA-N 440.569 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(C)CCCO2)CC1 1286489719 DKPZWYBCTZYEIL-DEOSSOPVSA-N 437.544 2.489 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[S@](=O)C(C)(C)C)CC1 1286490799 SLWDCAHTEUJCKI-PMERELPUSA-N 433.622 2.449 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1286493224 MFEYICBLWBJPPR-HYBUGGRVSA-N 443.592 2.171 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1286521692 BUKXSYWEPJWTOJ-DENIHFKCSA-N 428.558 2.389 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1286527998 MTHJCRPQOXNEIF-AUSIDOKSSA-N 442.585 2.499 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1286557613 JPXJOQRPIBVIPN-ONTIZHBOSA-N 439.560 2.110 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1286562763 SDWJMVISNIXLFN-MAUKXSAKSA-N 437.541 2.051 30 10 IEEE C=C(Cl)Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635542 VIRNDGPPWINILC-KFWWJZLASA-N 438.960 2.468 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1286722070 BUEJUEITVQCTNJ-SSEXGKCCSA-N 428.562 2.456 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(Nc2cccnn2)CC1 1286784799 UGTOZMBGVOORPC-UHFFFAOYSA-N 448.531 2.127 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCC(=O)NC)c1 1297536153 OEKLUWYPAHSGMQ-MRXNPFEDSA-N 425.913 2.464 30 10 IEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)=O)CC2)cn1 1300195545 CXNKQJZXTSBFLT-UHFFFAOYSA-N 431.500 2.374 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCn1cc(Cl)cn1 1300671589 LKGXXGVSPHDOQK-LJQANCHMSA-N 442.907 2.427 30 10 IEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300999896 JEGAXVBUECEXMY-QGZVFWFLSA-N 429.521 2.125 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301152138 UVVFSTFKCHOHSQ-QZTJIDSGSA-N 437.610 2.135 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301249070 POEIKJCAGSMEPD-SFHVURJKSA-N 435.532 2.425 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301575312 DQCSGIZCMVRZEY-KDURUIRLSA-N 446.529 2.142 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301595553 WGKGYPVFQZOCJO-IAGOWNOFSA-N 434.610 2.363 30 10 IEEE CC(C)[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1302775916 CDXORLIPNROYDC-BWVDKLOVSA-N 428.537 2.323 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1302969399 DYRKNYJCKUEBHJ-VXKWHMMOSA-N 438.576 2.210 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)C1 1303933273 HZHAIOLJLNWFMQ-PXNSSMCTSA-N 435.594 2.396 30 10 IEEE CC(C)COC(=O)N1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 1306892507 ILVSQDWSZZSOBN-UHFFFAOYSA-N 431.489 2.395 30 10 IEEE CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1308166657 BIQVIJXBUOZTFC-ROUUACIJSA-N 436.516 2.480 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(C(=O)N(C)C)c1 1316269948 QVXMUIOTWFMGLU-VDGAXYAQSA-N 440.548 2.348 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358919129 SFWXIZKJTJUBNJ-SFHVURJKSA-N 429.546 2.184 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359083190 DFMMDIPLHRBWNJ-KBPBESRZSA-N 433.372 2.094 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@]1(OCC)CCOC1 1359124762 BZTBPNAZZJCVKO-NRFANRHFSA-N 443.508 2.136 30 10 IEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NC(C)C)CC1 1359177249 GIOBSDUQMRVGMH-UHFFFAOYSA-N 445.593 2.165 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359218223 AVUXKUDDLRMDMV-INIZCTEOSA-N 438.623 2.366 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1359270214 GHTSUTOGQZHURM-UHFFFAOYSA-N 433.534 2.152 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1359304145 NWZLEDSDTXLUCI-XMMPIXPASA-N 449.559 2.194 30 10 IEEE C=CCNC(=O)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCC(=O)N1 1359305604 HYOVKSRVAOOJME-AZOIQLNYSA-N 446.939 2.373 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359311158 SBKFPXRLHAKEEV-QWFCFKBJSA-N 442.516 2.103 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359812580 OLQXVBJUQPKWKB-UGNPLGLKSA-N 441.580 2.068 30 10 IEEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)CC1 1360788922 JZFJGHVLCWVENT-UHFFFAOYSA-N 443.939 2.406 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1360790685 HDUDZMAUUJVLGD-SFHVURJKSA-N 438.532 2.438 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1)c1cc[nH]n1 1451587507 QOZSHIJUKNXMFM-UHFFFAOYSA-N 427.383 2.417 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1=O 1459213436 XVCKVXYFSHGIML-GXTWGEPZSA-N 443.422 2.161 30 10 IEEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2sc(S(N)(=O)=O)cc2C1 1460474449 VLPBCXUFXKDWSJ-ZDUSSCGKSA-N 436.534 2.228 30 10 IEEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1S(=O)(=O)NCC#N 1466430897 VSKQLIHZXBELOX-FQEVSTJZSA-N 427.526 2.210 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1(F)F 1466735658 CSZPWTKAURVYEB-REWJHTLYSA-N 444.479 2.268 30 10 IEEE C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850455 OHWCXEQTXRIEPK-PTAUBWNISA-N 434.518 2.146 30 10 IEEE C#CCN(C)CCCNC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1477901709 URDIGXPIWVKNLK-UHFFFAOYSA-N 444.395 2.256 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(C)COCCO1 1499145138 COVOPCDLTHTADN-NRFANRHFSA-N 430.940 2.498 30 10 IEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C 1502251198 HOAVTCXEHCEMAN-ZIFCJYIRSA-N 442.589 2.170 30 10 IEEE CNS(=O)(=O)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(C#N)c1 1503836385 JKZJGOIDWXWACX-UHFFFAOYSA-N 440.533 2.106 30 10 IEEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1505325301 RCHFZQLWCYKRGY-QZTJIDSGSA-N 438.523 2.096 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCC(F)(F)F 1507656272 DTQCUQGHXDBNHI-UHFFFAOYSA-N 428.418 2.032 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCc2cn[nH]c2)CC1 1507740996 RWKHVYOCGXQKPB-UHFFFAOYSA-N 445.571 2.385 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccco2)C1 1508073548 OADCYIRCLWZBTJ-SFHVURJKSA-N 438.444 2.326 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)C[C@H](C)C1 1508079599 ADJSSCPLEXEUAI-HOTGVXAUSA-N 445.593 2.023 30 10 IEEE CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1514156962 MXRJJJZVFDVAHR-VXHFXFQXSA-N 428.537 2.466 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnc(C)s1 1539315792 UNZNPIPCLJHYJS-UHFFFAOYSA-N 443.536 2.468 30 10 IEEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1539372371 XLZGUERCFRJBEN-UHFFFAOYSA-N 428.500 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1nncn1C 1539617573 XILLCXMPGPWINP-MKXGPGLRSA-N 445.568 2.453 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539640424 HQZSQJZCMZNPPX-GHTZIAJQSA-N 445.568 2.200 30 10 IEEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)n1 1542867130 GODFSDBIZYUBGP-CQSZACIVSA-N 430.559 2.499 30 10 IEEE COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCCNc1ccc(C#N)cn1 1543449736 LKAVNALYUPFRRM-VGOFRKELSA-N 432.484 2.453 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CCOC1 1544077952 NWMLOTXRADOXTC-UGTOYMOASA-N 446.596 2.168 30 10 IEEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCCN2CCOCC2)CCOC1 1547884552 IGYMHCZTPQGJRC-HSZRJFAPSA-N 446.596 2.173 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)c1 1557299306 GFVBQIDMSYERDB-UHFFFAOYSA-N 444.532 2.147 30 10 IEEE CCN(CCOc1ccccc1OC)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1557672442 RPCTVRCNTVFBLD-UHFFFAOYSA-N 445.541 2.441 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3F)cc2O)[C@H](C#N)C1 1567387692 GWUXSANVWMXTCC-BXUZGUMPSA-N 433.415 2.345 30 10 IEEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1=O 1585233520 VEVJOJUHPRVQOC-DEOSSOPVSA-N 447.495 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1587574903 MVOGSVFRWKPAIJ-OCCSQVGLSA-N 440.367 2.461 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1587614068 COBRHGRQOBDJCB-GOSISDBHSA-N 431.544 2.198 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCSC1 1588140117 UCMXJIGMFYNHPY-ROUUACIJSA-N 445.589 2.412 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1noc(CC)n1 1588233328 HKIVEUSLLNFTCO-IBGZPJMESA-N 432.484 2.442 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc(F)c2)CC1 1588733647 XJDBHQQBLHLGTB-UHFFFAOYSA-N 426.540 2.334 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589544048 DYQXISSLOHTHIH-DENIHFKCSA-N 446.640 2.495 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1594855316 ANJLHAYZEJUXNR-XLIONFOSSA-N 446.621 2.347 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCS(=O)(=O)NC 1595127379 NONNGAIIKVUVFK-UHFFFAOYSA-N 430.509 2.221 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCCN2CCCC2)c2ccc(Cl)cc2)C1=O 1596969638 YCVQSVMTYRHOMH-UHFFFAOYSA-N 432.908 2.136 30 10 IEEE CC(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1607247810 FDJZSSHTBOVUJD-MRXNPFEDSA-N 426.521 2.380 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(F)cc2Br)cc1 1617562387 CMLJEVXWCALJQB-UHFFFAOYSA-N 427.255 2.427 30 10 IEEE Cn1cc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CCCS(C)(=O)=O)cn1 1618384107 FCRYYSOFZQOMID-UHFFFAOYSA-N 439.545 2.154 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 1624894416 XQTOKQGVCYDRHB-OAHLLOKOSA-N 431.367 2.384 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)s1 1627364858 WNEPUKKGNVNWGO-KRWDZBQOSA-N 447.582 2.176 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1627389485 BZFFAQHXPJWXFL-IBGZPJMESA-N 444.532 2.044 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2cccc(F)c2F)CC1)c1cc[nH]n1 1629781176 YDDQORQPFZIWHW-UHFFFAOYSA-N 434.443 2.453 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1630950797 MMLMMTLWPZKJNS-WMZOPIPTSA-N 449.523 2.162 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)cc1 1638322494 DARLATDERGBMMQ-HXUWFJFHSA-N 435.571 2.468 30 10 IEEE C[C@H](CN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1642487626 HNVRIDSZRDGDIU-RHSMWYFYSA-N 428.489 2.199 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1672738953 POZZCDNOFDEUMQ-QHCPKHFHSA-N 440.588 2.230 30 10 IEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c1 1685543597 QACFRARVEXSMDD-YQQQUEKLSA-N 430.530 2.027 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1689838402 ZCCOQFNXIIDVSG-ZDUSSCGKSA-N 442.321 2.377 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1689916508 LYDMDAQSIQJIHS-MJGOQNOKSA-N 427.574 2.435 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689993613 IGMXRJYOQQHLLQ-OFNKIYASSA-N 444.601 2.241 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNc1ccc(C(F)(F)F)cn1 1690015146 BDWQAPYADNGIIC-INIZCTEOSA-N 445.449 2.218 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1690038120 DISLXYWSJZMGJS-OAQYLSRUSA-N 439.585 2.394 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(CC)C2CC2)CC1 1690133797 ULVKJYXEGMDLSJ-UHFFFAOYSA-N 426.540 2.236 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1690206079 GTBUZPDSSUSSIU-HTAPYJJXSA-N 444.557 2.238 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1690697480 WEFHYPOTJARVQD-GVDBMIGSSA-N 448.568 2.266 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)OC)CC1 1690725625 WZBSSRSBQGDHFL-UHFFFAOYSA-N 446.573 2.168 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C1 1690812618 PWBHNXQXFIVDLM-UXHICEINSA-N 438.532 2.212 30 10 IEEE CC(=O)NCCCn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690984359 QTZXAZUXAFPXMJ-HDICACEKSA-N 445.568 2.315 30 10 IEEE Cc1ccccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1693241504 OUUAHGDEWMIBCB-UHFFFAOYSA-N 440.529 2.285 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1693350262 CLDUPTDZVFZVLK-HVCBDAARSA-N 427.534 2.006 30 10 IEEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)cs1 1694601842 NGGGQFIKXPZRNN-AWEZNQCLSA-N 439.545 2.496 30 10 IEEE CC[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694902413 FACZAWWSHJCLEG-DNTCVELPSA-N 441.561 2.397 30 10 IEEE CCCNC(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1695428811 PXJDBMIYDZWKNA-YADHBBJMSA-N 432.569 2.365 30 10 IEEE CCOC1CC(O)(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@@H](C)CC#N)C1 1696197203 IELPJSROMBYBIB-JUTLFCHVSA-N 427.505 2.385 30 10 IEEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C1 1696450829 KVHTVBHEPRHTHI-NRFANRHFSA-N 435.532 2.425 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCCCCO)cn1 1696854381 LBCWCACFTRJXJS-UHFFFAOYSA-N 438.511 2.179 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705536317 NCXPTDHYBITKBX-HXUWFJFHSA-N 449.603 2.247 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1705631162 VJEYFPIOJICSHJ-HXUWFJFHSA-N 436.965 2.465 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(NC(=O)OC)c2)n1 1705631350 BEZIIFNKDMRBMO-UHFFFAOYSA-N 437.504 2.296 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCSC2)CC1 1705634474 XOIJFGQYVNYXMW-KRWDZBQOSA-N 427.574 2.471 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1705700890 ZWTFMEDXUMZXOQ-FHWLQOOXSA-N 448.593 2.014 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(=O)NC 1705708313 ASHBSPIYYVTZJJ-GCJKJVERSA-N 438.532 2.282 30 10 IEEE C=C(C)COCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705740098 BIGRPLKGNYODKB-QHCPKHFHSA-N 449.596 2.216 30 10 IEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCOC1)c1ccccc1 1705740951 BXIVONKXRXCZFW-QZTJIDSGSA-N 433.578 2.465 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705818570 OCVAAGBNTQFRHM-OAHLLOKOSA-N 444.561 2.028 30 10 IEEE C=CCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893762 SGIIXFLEIDCYJZ-PGRDOPGGSA-N 427.553 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCN(C)C2)C1 1705929478 RHDONHFUQMFPRQ-YKSBVNFPSA-N 441.576 2.267 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705930290 KEUNCUNRRXWLIW-UHFFFAOYSA-N 441.598 2.307 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1706074806 FHAFHFGNYDCBBB-IAGOWNOFSA-N 447.561 2.250 30 10 IEEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1706459216 FDTNVJKZEIOIQB-QFIPXVFZSA-N 443.573 2.381 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1706914841 WVZXMYWCRKOGIQ-AWEZNQCLSA-N 445.476 2.305 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CN(CC(C)C)CCO2)n1 1707814129 FHVGSMWUTOYJCS-FXAWDEMLSA-N 428.585 2.092 30 10 IEEE Cc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1C[C@@](C)(O)C(C)C 1707908989 FPJGMJDKJKLYCN-OAQYLSRUSA-N 425.493 2.440 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1709850529 RTGFBDCIMBXMCB-QFBILLFUSA-N 426.521 2.116 30 10 IEEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1710802407 BYZOCVNHDMTGRX-IBGZPJMESA-N 437.548 2.244 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@](C)(O)CC)c1 1722307639 RVGIQROTOSRONN-XMMPIXPASA-N 432.528 2.481 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1722366163 GGDXNJDUXTVROQ-IBGZPJMESA-N 444.605 2.007 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1C(C)(C)C 1722498703 CSVAIHHUBASUTM-NVXWUHKLSA-N 425.599 2.075 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722537193 MEQIVAKOHSYWAZ-QZTJIDSGSA-N 445.568 2.203 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](F)COC)CC1 1722560931 HRQQAMQKVRKUKL-QGZVFWFLSA-N 437.541 2.336 30 10 IEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1722735510 QORNCTVNYCXLSR-UHFFFAOYSA-N 431.562 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C(=O)OC)C1 1722752173 XRMBENPYAYZPJD-MRXNPFEDSA-N 444.513 2.291 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1730941176 FZNRNVKDXOCLDL-ACRUOGEOSA-N 446.596 2.099 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)CCO1 1731188491 GZQAVGGJCCXFJI-AWEZNQCLSA-N 444.417 2.489 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1740625222 DVRFGCOCXYSBRI-UWVAXJGDSA-N 438.619 2.085 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC(F)(F)F)cc1 1740639138 QFGGBDLEIJZBHW-QGZVFWFLSA-N 431.418 2.443 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1740707213 UDYZLUIZUUMHFQ-GMAHTHKFSA-N 448.571 2.211 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1740756024 DYFNSRXRYCZPLQ-AZUAARDMSA-N 441.580 2.263 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740958610 FBVWTVIWZZNXKE-OAHLLOKOSA-N 444.536 2.092 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C1 1748150936 WIGKVOGNXMULPI-HXUWFJFHSA-N 425.518 2.109 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C#N)o1 1748242637 IGWRPPBZLNMWRU-UHFFFAOYSA-N 438.488 2.438 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(C)nn(C)c1C 1748794630 DGAQWOBJVGMHQB-UHFFFAOYSA-N 446.603 2.111 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CC1 1748912938 MAPQBLYXINVKHY-UHFFFAOYSA-N 426.340 2.072 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCNS(C)(=O)=O 1748913425 VKPCWUCHEOTAAP-UHFFFAOYSA-N 440.367 2.106 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1749485358 RRJGLKGITFDECB-UHFFFAOYSA-N 433.520 2.058 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749677382 XNIHQUOWFOAHJI-LJQANCHMSA-N 438.576 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749739516 DZKJUMDFKZUAMC-HOTGVXAUSA-N 438.525 2.211 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1750550797 SAEDIOCQISUWJK-HXUWFJFHSA-N 447.547 2.240 30 10 IEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750999211 HGXLQWYXIODMIB-MJGOQNOKSA-N 439.520 2.089 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1751093787 XJDZLAGINJLSHZ-QRQLOZEOSA-N 443.577 2.283 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1C 1751555153 NVFMEDJPTKAVSQ-KSSFIOAISA-N 439.520 2.058 30 10 IEEE Cc1nc(-c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)C[C@H](C)C#N)cc2)n[nH]1 1751759958 NBAWWLSTZCQPNT-OAHLLOKOSA-N 433.520 2.138 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760144429 OPFQAHYEPXJESA-UHFFFAOYSA-N 428.581 2.495 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1760260667 BGSAWGSQOMQAPC-JOCHJYFZSA-N 438.624 2.015 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H]2CC)CC1 1760265113 OCOMFBGVTZXNCF-MJGOQNOKSA-N 428.581 2.208 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(OC)CCOC1 1760504194 WZARRRUSNMGMJN-JOCHJYFZSA-N 440.504 2.038 30 10 IEEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513041 HTOXMIFJMRKSTL-DEOSSOPVSA-N 439.560 2.396 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NC)C1 1760534929 IXTXDYNKSXZONF-GOSISDBHSA-N 426.521 2.065 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nnc(C)s2)CC1 1760606207 DTOTYZZBJLCSAO-UHFFFAOYSA-N 436.545 2.278 30 10 IEEE CC1(C)CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1761555212 OLHVVRHGJMPBKA-RJCBAWPRSA-N 428.537 2.325 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)cc1C 1762301671 FOADYWCVVYQXOL-FQEVSTJZSA-N 439.564 2.348 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CCCCCO 1763044639 RMLKZSOMRNHBJF-HKUYNNGSSA-N 440.552 2.059 30 10 IEEE CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1766186175 BLPMWNDQLVNQNU-DNVCBOLYSA-N 426.587 2.081 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1770142543 BMNQYQYUIPMAGV-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE CC(C)(CN1CCCN(C2CCS(=O)(=O)CC2)CC1)C(=O)Nc1ccc(CC#N)cc1 1851219352 PRUGECFDKGQHCX-UHFFFAOYSA-N 446.617 2.302 30 10 IEEE Cc1nc2ccc(Br)cn2c1C(=O)N1CCN(c2nccc(C#N)n2)CC1 1851871737 GUYXBFOZUIUEGH-UHFFFAOYSA-N 426.278 2.029 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)OCc2ccc(C#N)c(F)c2)CC1 1852543956 XFROUMPGAHWWEA-IRXDYDNUSA-N 431.464 2.456 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(=O)[C@@H]3CCCO3)c3ccccc32)cc1 1854284144 VUHXEBTUJULGLQ-IBGZPJMESA-N 425.466 2.196 30 10 IEEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1cccc(Oc2ccc(F)cc2)c1 1857118894 RGWRIALDOSXMBP-AWEZNQCLSA-N 431.445 2.280 30 10 IEEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(-c3cccs3)on2)C1)[C@@H]1CCN(C)C1=O 1857239549 CMCUBBMUNWVUFE-GOEBONIOSA-N 428.514 2.111 30 10 IEEE N#CCOc1cccnc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1858852418 ZNZHPPLDIKQALK-UHFFFAOYSA-N 425.430 2.219 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862595574 HBIGVBBYGUSNFZ-FQEVSTJZSA-N 440.452 2.124 30 10 IEEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)c1 1862626830 GOHCHGRHMULGFX-FQEVSTJZSA-N 438.436 2.138 30 10 IEEE C=CCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2ccc(OC)c(OC)c2)C1=O 1863520452 QURZSAAIJRXFEG-UHFFFAOYSA-N 443.500 2.180 30 10 IEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(=O)cc1CN(C)C 1870323710 DBIAWHPOEHPZFO-UHFFFAOYSA-N 444.557 2.153 30 10 IEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(NC[C@H](C)O)ncnc21 1875229422 YMXQIAXCTNWIEG-SFHVURJKSA-N 434.544 2.368 30 10 IEEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)ccc1F 1889422928 AARFICHDVYJZPO-UHFFFAOYSA-N 431.552 2.485 30 10 IEEE C=CCNC(=O)c1nc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cs1 1890213777 VDHUCTTYZSXDHY-UHFFFAOYSA-N 449.540 2.428 30 10 IEEE C#CCN(C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCOC1 1962754939 HLBMVUMUHVFLSD-MOPGFXCFSA-N 430.501 2.264 30 10 IEEE C=CCC1(NS(=O)(=O)c2nn(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2058157608 AQQFNYRMFIHWKX-UHFFFAOYSA-N 435.344 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2247833656 JXTNHOGYOAUREH-UHFFFAOYSA-N 435.355 2.278 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2247859495 MXISCBDGNVLKIB-ZIAGYGMSSA-N 438.355 2.069 30 10 IEEE COCCN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247882422 OMJZXVPHVYGNJM-UHFFFAOYSA-N 432.351 2.218 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247928209 YOBVPVJQTUPZGG-STQMWFEESA-N 438.355 2.069 30 10 IEEE CC(C)[C@](C)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248445275 KIJAZYQKDYPFNH-IBGZPJMESA-N 440.375 2.137 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2255602100 NINZJODVIYJWGU-UHFFFAOYSA-N 432.326 2.009 30 10 IEEE C[C@H]1[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255619053 MIJJPPKAUYYNGE-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627665 WWBSWQAYGBTUOB-NRFANRHFSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826131 LAVBMORFDCDHEQ-NRFANRHFSA-N 434.346 2.086 30 10 IEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831018 OUHPZUIKIBVFKZ-NRFANRHFSA-N 436.362 2.474 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267089362 CSCLRTUQMUUUPC-GDBMZVCRSA-N 448.373 2.426 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2267092557 WZOJZFPXSFWYPE-IRXDYDNUSA-N 446.307 2.204 30 10 IEEE CC1(C)C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267140173 AUNJLLKTVPNIJM-CQSZACIVSA-N 448.373 2.474 30 10 IEEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267144380 VUIOKZSOFUEWJR-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267145228 DZJLHNMHKDAHHI-FICVDOATSA-N 446.357 2.084 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267161983 JPWZGYJPVBOLKZ-IBGZPJMESA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267264336 QJGRJSGUYGRUHA-QFIPXVFZSA-N 449.332 2.460 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2267291367 PEKVZMFZJMUKBP-INIZCTEOSA-N 449.357 2.070 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267510331 KARGPJANKPGBPV-LSDHHAIUSA-N 448.373 2.285 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1C 2296924021 NDJKSXUAQBCRIF-OAQYLSRUSA-N 437.496 2.153 30 10 IEEE Cn1nccc1C(=O)N1CC[C@@]2(CO)CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1 2297648421 DIKICXYOSDIGSK-YWZLYKJASA-N 433.434 2.272 30 10 IEEE COc1nc(N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501138 CSDWWMJTSKHYLX-KBPBESRZSA-N 431.342 2.349 30 10 IEEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(CC=Cc4ccccc4)CC3)ncnc21 2324648086 AEIVRVXRNZATSB-UHFFFAOYSA-N 446.555 2.175 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2334263286 XWOYQEBYUQGQTB-SDADXPQNSA-N 446.357 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@@H]21 2341940758 SNGOGYCYFJHQCF-CVEARBPZSA-N 446.357 2.323 30 10 IEEE N#Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 8600956 CZKRAOLOZOYFQJ-UHFFFAOYSA-N 438.509 2.164 30 10 IEEE COc1ccc(NC(=S)/N=C(\NCC(OC)OC)Nc2nc(C)cc(C)n2)c(OC)c1 14155933 RXFBAPUVSZPNIJ-UHFFFAOYSA-N 448.549 2.484 30 10 IEEE N/C(=N/O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 96710818 VABRQEMMJPEGSI-UHFFFAOYSA-N 441.145 2.359 30 10 IEEE COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1ccc(F)cc1F 203681427 HXCAYOXKPFPTLI-UHFFFAOYSA-N 426.250 2.468 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 253377033 VTPZWWCPCOMKEW-GOSISDBHSA-N 429.546 2.446 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)cc1 301309423 XMZJNZLSCMVSBL-UHFFFAOYSA-N 426.420 2.492 30 10 IEEE CN(C)c1ncn(-c2cccc(NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2)n1 441801065 ZLWGXJKCRMZPIX-FQEVSTJZSA-N 444.499 2.128 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(Cc4cc(OC)cc(OC)c4)C3)cc2C1=O 446614267 ZFGKUVYYXXKIGB-GOSISDBHSA-N 449.507 2.490 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 460543359 INVAUYRERZYZMW-GOEBONIOSA-N 445.593 2.213 30 10 IEEE Cc1nn(C)c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc12 463823333 BPLWMOIJKPSRJM-UHFFFAOYSA-N 438.513 2.292 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 505148233 GPCXXZZUMBYQMN-UHFFFAOYSA-N 437.456 2.336 30 10 IEEE C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC(Oc2ccc(C#N)cc2)CC1 507824709 QFLVZQFWBBHQJZ-SFHVURJKSA-N 436.512 2.368 30 10 IEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508997763 AUFVTFDJHQPYPP-UHFFFAOYSA-N 445.527 2.311 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C 513046934 OVTNNYWJSLKKOH-UHFFFAOYSA-N 434.517 2.467 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(c2nnc(C(F)(F)F)s2)CC1 520291575 DPCXZXWZVVPYAP-GFCCVEGCSA-N 445.471 2.139 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccccc1 531369686 HBHDUTZTYMBSNE-UHFFFAOYSA-N 448.573 2.311 30 10 IEEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCCO2)c1=O 531684311 CWWVFPWYLWTRNO-ZDUSSCGKSA-N 432.567 2.277 30 10 IEEE COc1ccc(CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1C#N 533009914 BOPBGUQVRTZJCN-UHFFFAOYSA-N 425.514 2.497 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1=O 543040281 VEBDEPRZAYZAFQ-KRWDZBQOSA-N 433.434 2.281 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)NCCc3ccc(OC(F)(F)F)cc3)CC2)n1 546919495 ZRMJSIHSBGOGOB-UHFFFAOYSA-N 433.434 2.333 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccccc1C 603991163 ZIEROJHPBIMYJF-UHFFFAOYSA-N 445.544 2.172 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)nc1 616224474 YIKALCANUBLGFP-FQEVSTJZSA-N 436.491 2.161 30 10 IEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670216027 DUFDQPQMCYEYCO-MRXNPFEDSA-N 428.468 2.045 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc1 679754747 BNJMSOFPFXORBY-IBGZPJMESA-N 438.549 2.360 30 10 IEEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccsc2)cn1 730144718 RKRMDONMRDRVKB-INIZCTEOSA-N 447.586 2.351 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1CC(=O)NC(C)C 730708772 IQDYZFHGSSPLFT-MRXNPFEDSA-N 440.529 2.270 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 732446169 IENDCYWRZOSMKR-QBNCKDSPSA-N 449.914 2.442 30 10 IEEE CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665094 XCTVBAIVLHYKEW-NQIIRXRSSA-N 437.569 2.285 30 10 IEEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1NC(=O)OC(C)(C)C 732707349 YFXUYPCMFXGOQM-INIZCTEOSA-N 443.504 2.179 30 10 IEEE COC(=O)[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C#N)cc1 740212468 OJSFODFMCIFNBD-AUUYWEPGSA-N 441.371 2.416 30 10 IEEE C#CC[C@H](NC(=O)[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC)C(=O)O 757360171 NAAOKQCJIWKBRY-LEWJYISDSA-N 436.464 2.133 30 10 IEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)O 757361040 NYSMHEOTWDCSIB-HYBUGGRVSA-N 438.480 2.422 30 10 IEEE Cc1sc2ncn(CCC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c(=O)c2c1C 760400892 FEVWOUAGWOTEKR-UHFFFAOYSA-N 436.559 2.385 30 10 IEEE C#CCN(C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCS(=O)(=O)C1 774218137 HFTBQPDNJPJWQB-ROUUACIJSA-N 443.491 2.112 30 10 IEEE Cc1cccc(CN2CCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1 780174719 DQHGYFHWYCCEQY-XMMPIXPASA-N 443.544 2.444 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCC1(O)CCC1 790001008 CKBZCEXOIHKLGS-GOSISDBHSA-N 432.590 2.300 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@H]1c1nnc(C2CCC2)o1 809227648 JMWJDQWVXVGIAY-HNNXBMFYSA-N 429.502 2.129 30 10 IEEE CCc1noc(C[C@]2(O)CCCN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)C2)n1 856675909 DIODZJSMZABYFN-QMHKHESXSA-N 432.484 2.239 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3c(F)cccc3F)n[nH]2)cn1 1084125603 BGDPJTSGYCGUHQ-UHFFFAOYSA-N 436.448 2.103 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCCS2(=O)=O)cc1 1125307742 RAMKIVOXFPQSOU-AJNNJPABSA-N 441.575 2.185 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1136597908 MKNBLHHQCYSXBR-GOSISDBHSA-N 433.505 2.380 30 10 IEEE Cn1c(=O)n(C)c2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)c(O)cc21 1141698475 GPCBVPPHSDEEGS-LBPRGKRZSA-N 439.859 2.099 30 10 IEEE C=CCn1cc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1 1142655477 FBLMYIOYEVRRCK-UHFFFAOYSA-N 429.477 2.263 30 10 IEEE C#C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1158805562 AWJAVCHFGOUAQO-ZDUSSCGKSA-N 429.336 2.002 30 10 IEEE CC(C)(C)NC(=O)CNC(=O)COc1c(Br)cc(Br)cc1C#N 1166903041 DNYXTLQNOPDFLG-UHFFFAOYSA-N 447.127 2.493 30 10 IEEE C[C@H](CC(=O)N1CCC(Nc2ccccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1178094121 BQUWSGLSMRZLCS-OAHLLOKOSA-N 427.530 2.002 30 10 IEEE COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)c1cc(C#N)c(SC)nc1O 1179193572 ISWSFBYGQLQZJK-FQEVSTJZSA-N 425.470 2.092 30 10 IEEE COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1187028952 FPFNIJYUDWMBAO-ZDUSSCGKSA-N 431.308 2.054 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)C1 1225936347 DBXXFXALWMDFMC-RCCFBDPRSA-N 426.521 2.335 30 10 IEEE C#C[C@H](NC(=O)N1CCN(Cc2nc(COC)no2)CC1)c1ccc(Br)cc1 1252458494 KVMVWTIRMUQONC-INIZCTEOSA-N 448.321 2.180 30 10 IEEE C#C[C@@H](NC(=O)c1cc(I)ccc1-n1cnnn1)c1ccccc1 1277181491 UEEJJILVXIOSFN-OAHLLOKOSA-N 429.221 2.371 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1286293921 ALFNRHXBHIABKH-KNQAVFIVSA-N 438.576 2.276 30 10 IEEE C=CCCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286691337 FYKIUOQTHZHMQG-JOCHJYFZSA-N 432.569 2.281 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F)C1CC1 1286736923 JJIYTOVTHGXSJE-LJQANCHMSA-N 449.552 2.148 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286825588 SVQXMNSVMLIQNU-ZACQAIPSSA-N 426.583 2.370 30 10 IEEE CC1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1289010605 NATAIKQOLVMCPS-UHFFFAOYSA-N 446.577 2.294 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1 1293136171 DGKAMJWEKXIZBO-RDJZCZTQSA-N 429.322 2.396 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)C1=O 1294847151 FYUZLEZWTOQYCG-QGZVFWFLSA-N 437.500 2.145 30 10 IEEE C#CCn1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cn1 1297369443 HDKCOINABAORLH-UHFFFAOYSA-N 442.472 2.395 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCc1ccccc1N1CCOCC1 1298120734 CCODLFAINCKDKK-UHFFFAOYSA-N 432.528 2.346 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1300322403 RPRIWGQCFIEKCT-HNNXBMFYSA-N 448.552 2.062 30 10 IEEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300400748 KNKASYCWYVCCKL-SIKLNZKXSA-N 435.576 2.132 30 10 IEEE COc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)OC 1300558119 UFFWVQFLMKXIAS-OAHLLOKOSA-N 434.500 2.447 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300763458 PTLNPZUYKPLTNT-NRFANRHFSA-N 440.617 2.192 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300883670 DHOGEHHYPUTPMG-LMNJBCLMSA-N 430.597 2.173 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)C[C@@H](C)O1 1301371901 CZVICLQEAPSBGD-FOIQADDNSA-N 435.532 2.456 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H](C)C1 1301415548 WGIRTLPUZBBCCI-QZTJIDSGSA-N 438.536 2.375 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301637021 IUHGRNVTISCAFN-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1302382601 AIUVHTHYDCNKQD-XLIONFOSSA-N 436.582 2.097 30 10 IEEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 1302876334 ZLKPFRPLQMXOEV-KBAYOESNSA-N 445.568 2.219 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656204 QQMRCSGXQDCJQY-QGZVFWFLSA-N 429.517 2.489 30 10 IEEE COC(=O)c1cccc2c1CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)CC2 1307871436 BQWHEEQDVZKXBW-FQEVSTJZSA-N 438.553 2.302 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 1309775704 IDEWYRUPVTWXDQ-QFIPXVFZSA-N 438.553 2.315 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(CC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1313969442 COBFSBPVMQNVKL-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE CCOCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1314461789 CLLOSVVDNNFFQG-SFHVURJKSA-N 447.547 2.067 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1354262454 UWXYGFHVBQHDNM-HNNXBMFYSA-N 433.468 2.256 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1358929713 GIDXHXJJYVHFHH-QZTJIDSGSA-N 449.602 2.427 30 10 IEEE C#CCCCn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1358936530 PRRBIZAYUOCLCG-NRFANRHFSA-N 445.593 2.220 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358960497 FZLJHZRAPZHTSR-HXUWFJFHSA-N 439.516 2.349 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N(C)C)CCOCC1 1358971872 LMVRPMCANRUVAE-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1359000858 GJFOTLHVSSCQBD-JOCHJYFZSA-N 446.573 2.230 30 10 IEEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCC(=O)NC)CC1 1359031115 QQHLKQYIMRCRTE-UHFFFAOYSA-N 449.584 2.268 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OCCOC)CC1 1359033909 VUQRDBDKQYIJLL-UHFFFAOYSA-N 446.555 2.477 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1359038832 MQVNOKWCUGXNJG-MOPGFXCFSA-N 427.524 2.424 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCOC2)CC1 1359045588 MSXWMJOXPGVWEH-IBGZPJMESA-N 439.535 2.400 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359134867 JVLQKFLLRBBONH-UHFFFAOYSA-N 433.578 2.260 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359226450 GGMNRCVHIIWBMU-FQEVSTJZSA-N 446.596 2.493 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1359262995 MKXHPEXXXUHXQZ-QGZVFWFLSA-N 440.529 2.393 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1359272575 WSWANCRCYFUYDH-KRWDZBQOSA-N 437.591 2.208 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1359295620 IHOHRYIKNIZNDY-ZDUSSCGKSA-N 434.903 2.132 30 10 IEEE C#CCN(C(=O)Cn1cc(C(=O)OC)cn1)[C@H]1CCOc2ccc(Br)cc21 1360310202 CCRBUYNGWMPBOM-INIZCTEOSA-N 432.274 2.418 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1360319213 FFCUUQSZDNATOZ-OXJNMPFZSA-N 441.598 2.270 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(Cl)nc2)CCOC1 1360347439 IDCIBPYLBKPKSL-OXJNMPFZSA-N 432.912 2.144 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1360603517 IBEMZAZGVQCDRK-IAGOWNOFSA-N 430.940 2.296 30 10 IEEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1438604487 YTNCIOYZCFVSCF-HDICACEKSA-N 447.557 2.195 30 10 IEEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(F)(F)c3ccccc3C#N)cc2)CC1 1443307592 CEDBGRRSYCJDBC-UHFFFAOYSA-N 441.482 2.499 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(O)(c4ccc(Br)cc4)C3)CC2=O)cc1 1453532222 GOMYAIIPNHSIJK-OAHLLOKOSA-N 440.297 2.404 30 10 IEEE COC(=O)C1([C@@]2(O)CCCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CCC1 1456398491 RLDAOMCEOARBRM-XMMPIXPASA-N 448.560 2.334 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)OC)c(OC)c2)ccc1F 1457996081 DKDOJFIEDHBJJJ-UHFFFAOYSA-N 436.461 2.015 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2ccc(Cl)cc2)s1 1464470291 UFDLEHSYXBMDDW-UHFFFAOYSA-N 427.935 2.163 30 10 IEEE C#C[C@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1467633824 QEGDADUHYPQMDA-KRWDZBQOSA-N 436.331 2.313 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 1468446295 STFBNWFYHKLYQA-UHFFFAOYSA-N 449.573 2.348 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1468608456 VHGSZXYCZKTQGF-UHFFFAOYSA-N 440.504 2.230 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccncc2OC[C@H]2CCOC2)c1 1468631751 WMLJBASLZXSTRV-KRWDZBQOSA-N 428.510 2.224 30 10 IEEE CCO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1502611010 DOFUYXXIAGPLFW-OPYAIIAOSA-N 447.536 2.400 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1503274138 OSYPJQREGDTJDJ-OAHLLOKOSA-N 434.591 2.088 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccn(C)n1 1504434295 BTILEGPUKKJGCO-OAQYLSRUSA-N 425.468 2.284 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1504821847 GICZGHWLPLSSLI-INIZCTEOSA-N 436.438 2.358 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1507556635 KDCSQPCFSVNDMX-INIZCTEOSA-N 436.607 2.080 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1507564017 LMTLRNOLDLZRMB-CQSZACIVSA-N 427.368 2.473 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(O)(CC)CC 1507653884 SGIPGCISXCABDQ-GOSISDBHSA-N 445.564 2.210 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1507658911 IJBSBYQWPGBVSE-SFHVURJKSA-N 447.539 2.357 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCCC2)nc1 1507661575 ZUOIQRAXZVVDSU-RUZDIDTESA-N 448.571 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1C 1507673480 WAMMYWJWVSNPTB-MSOLQXFVSA-N 425.558 2.405 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCOCC1 1507701923 PHUYWKRTFRMZRE-HXUWFJFHSA-N 441.507 2.157 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(N(C)C)cc2)CC1 1507724452 PZNQWULETCPXQP-UHFFFAOYSA-N 429.572 2.328 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCNS(C)(=O)=O)CC1 1507880170 IPLGXCHMOSYWJI-UHFFFAOYSA-N 440.367 2.413 30 10 IEEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507965964 SULYNLBKQAWDPX-HXUWFJFHSA-N 444.580 2.370 30 10 IEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1507987075 NTDKJDVABWBONM-OAGGEKHMSA-N 439.582 2.106 30 10 IEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)O[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1508096438 ACCZFAQOCPULEO-UYAOXDASSA-N 439.560 2.290 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(C)=O)CC1 1508103498 GSVJQZOSJXDLOZ-IBGZPJMESA-N 425.533 2.500 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(C)(=O)=O)C1 1508111520 GSXNHNPOFXBXCY-KRWDZBQOSA-N 427.530 2.319 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC(C)(C)O)n1 1511127473 LDJLFIDDSBYJFX-UHFFFAOYSA-N 432.532 2.403 30 10 IEEE CCc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513943093 PVQKOXQDJJYDSK-BDIWWCJBSA-N 436.516 2.119 30 10 IEEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1515183842 BGCPDQQARAYWAN-SFHVURJKSA-N 431.500 2.360 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCc2nc(C)cs2)CCOC1 1516234655 ZBDRMBLVUXSVDR-DYESRHJHSA-N 446.577 2.447 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCSCCCO)CCO1 1521138124 ZACIWRBDAYGHBG-KRWDZBQOSA-N 437.953 2.355 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](C(F)(F)F)CC3)CC2)cc1 1533990805 MRGRXFLYNBZCMZ-QGZVFWFLSA-N 445.463 2.139 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(CS(C)(=O)=O)c1 1539263529 KQDUGQSRVFGPHM-HXUWFJFHSA-N 426.542 2.185 30 10 IEEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539284732 AZHOXHCZTMVZEC-UHFFFAOYSA-N 425.558 2.040 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2c(C)noc2C)CC1 1539434570 NPEYIXLKNMXYSP-UHFFFAOYSA-N 436.516 2.371 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[S@](=O)CC)CC1 1539476062 RMZSIYCGSRGPAJ-SSEXGKCCSA-N 447.992 2.333 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539500241 VPGWOCRESZSZAB-YJBOKZPZSA-N 431.518 2.460 30 10 IEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1539513231 MCHVMBVOMGMZFS-KRWDZBQOSA-N 435.557 2.164 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539580993 UCCCQLLCINLSQM-HIFRSBDPSA-N 447.293 2.477 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1539871294 KGPSDGXTWQGTRQ-UHFFFAOYSA-N 430.940 2.352 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1540121805 WZFVEQUMPMFYOA-MOPGFXCFSA-N 446.573 2.418 30 10 IEEE C=CCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1540856769 NTRSTACFAJOMSB-UHFFFAOYSA-N 426.546 2.289 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCC2)C1 1540866527 QFESXWZMYJBWCE-KRWDZBQOSA-N 429.956 2.360 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccco2)N(C)C)C1 1540881291 DUJKOKKLNNITQH-ZWKOTPCHSA-N 428.537 2.191 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1540898117 ZYSZXFANGRJKQL-INIZCTEOSA-N 441.598 2.353 30 10 IEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1541233177 FREPKULAKUGIIO-NQARNYTMSA-N 440.573 2.079 30 10 IEEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1542004707 ZSHJCKRMEGZNNF-KRWDZBQOSA-N 437.504 2.096 30 10 IEEE Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543312280 BSWIBVYPWSTWBK-FMQUCBEESA-N 441.923 2.093 30 10 IEEE CC[C@H](C)c1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545600278 GTLXAEZRWMJPAJ-MXLIYFDZSA-N 428.537 2.325 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(F)(F)Br 1546532420 KXZPTUWXPMRVSA-LLVKDONJSA-N 441.284 2.205 30 10 IEEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1555273439 ZZFFTJYJXWHERA-IBGZPJMESA-N 438.511 2.251 30 10 IEEE Cc1c(I)cc(Br)cc1C(=O)N[C@@H]1CCN(O)C1=O 1556750888 YZGXONJHWQJTIQ-SNVBAGLBSA-N 439.047 2.082 30 10 IEEE C[C@]1(C(F)F)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1557598687 DTJKRPVAPMUZLC-LJQANCHMSA-N 429.489 2.168 30 10 IEEE C[C@@H](Sc1cccnc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559412212 AEYYKQNNOFOKOV-CQSZACIVSA-N 432.527 2.093 30 10 IEEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1559948881 HAPRANNGWALWAS-OWSLCNJRSA-N 441.576 2.330 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)s1 1584876841 WIMAQRCGYZWTSA-UHFFFAOYSA-N 445.566 2.449 30 10 IEEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)C1=O 1586400622 DJERITONIXCJDD-JBEBIEQOSA-N 447.495 2.492 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1587383183 PJVMFXRWBSCHOI-AWEZNQCLSA-N 443.363 2.392 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1587562556 QOFNNNOTJAPQDZ-YCPHGPKFSA-N 428.468 2.003 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1588211051 TXLZWCFLWJHVSO-SFHVURJKSA-N 426.542 2.384 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cccc(C)n2)CC1 1588864338 CLNKUXOPWFHWJA-UHFFFAOYSA-N 432.576 2.231 30 10 IEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2nnn(C)n2)CC1 1594090222 FEXZPEJMSFROHV-UHFFFAOYSA-N 443.556 2.121 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1 1594824665 OOPLTBSWARFNQC-UHFFFAOYSA-N 441.502 2.417 30 10 IEEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O)C1CC1 1595033165 CKEBTFVEQSQCLW-UHFFFAOYSA-N 432.506 2.044 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1595537012 LKYFTWBPECWZQM-UHFFFAOYSA-N 447.499 2.032 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1595551316 OGFOYEIXCRKPRO-UHFFFAOYSA-N 442.539 2.270 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)nc2Br)cc1 1597292458 GPECTHCVVMXLJC-UHFFFAOYSA-N 428.283 2.378 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)S1 1612918253 XMZCQVKAPBPRKF-HUUCEWRRSA-N 434.591 2.086 30 10 IEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615459699 SNFPNPIWLQEWFP-UYAOXDASSA-N 438.580 2.453 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1ccnn1 1616472732 BJNUHYMVMCKCTH-OAQYLSRUSA-N 440.483 2.380 30 10 IEEE N#C[C@@]12CN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)C[C@H]1CS(=O)(=O)C2 1617487964 TXYJTXHWWNKSLO-LIRRHRJNSA-N 435.958 2.327 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)c(OC)c1 1619191419 VBXAPQMXVITVFL-IERDGZPVSA-N 431.468 2.210 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)CC1 1619547983 BJQILPBMQBNQCG-FQEVSTJZSA-N 438.532 2.071 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCCC1 1620384807 GWLQHCIWVLBQCF-VXPUYCOJSA-N 426.452 2.123 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CC1 1628350684 IETBVUNDSCLFAX-UHFFFAOYSA-N 427.545 2.258 30 10 IEEE C#CCN(C(=O)CNC(=O)c1ncccc1O)[C@@H]1CCOc2ccc(Br)cc21 1629238034 CHWRMNMNMUWXAN-OAHLLOKOSA-N 444.285 2.265 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2nscc2I)C1 1633662015 CXRLIDOKNYOXRC-SCZZXKLOSA-N 448.286 2.237 30 10 IEEE C[C@H](O)[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 1637369083 LPQMCPXUBWGXKQ-SZMVWBNQSA-N 433.505 2.183 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1639878848 VHMCZTXMVWBSBU-MSOLQXFVSA-N 445.541 2.100 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1641387855 WERVVJGGHKUNPK-JOCHJYFZSA-N 445.571 2.083 30 10 IEEE CCOC(=O)C1(S(C)(=O)=O)CCN(c2cc(Br)c(C#N)cc2F)CC1 1642670417 CUPFCDPBIMHUKS-UHFFFAOYSA-N 433.299 2.407 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)C1 1645275038 ZJPDTTJVNHROQX-QGZVFWFLSA-N 443.525 2.029 30 10 IEEE CCN(C(=O)c1cc(C#N)ccn1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1645523079 PMBOBDBYXYBTCG-INIZCTEOSA-N 429.521 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)(F)F 1649538335 BWGQJHKMUOATRJ-SNVBAGLBSA-N 447.259 2.183 30 10 IEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCc3c(sc(N)c3C#N)C2)cc1 1656381420 ZJEPKXRJDNVFER-CYBMUJFWSA-N 447.586 2.274 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(OCC(F)(F)F)nc2)n1 1666358730 JUXUZQIVTPGYLP-UHFFFAOYSA-N 425.411 2.211 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)cn1 1670256680 AXCOMYYMXFDOBG-UHFFFAOYSA-N 446.710 2.197 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCC4(CCCC4)O3)CC2)cc1 1674050907 QZFZHTUQSYKBME-SFHVURJKSA-N 432.546 2.066 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 1682748196 HJTQGYMFHQORDA-FQEVSTJZSA-N 440.935 2.344 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 1689980872 YPWXLNXKCQOGGM-IBGZPJMESA-N 428.558 2.206 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3noc4c3COCC4)n2CC(C)C)n1 1690109678 ZWRUBGBTICGIEU-UHFFFAOYSA-N 439.520 2.145 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690179104 MUMUPHJXMDWFMH-AVRDEDQJSA-N 427.574 2.405 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690179106 MUMUPHJXMDWFMH-PGRDOPGGSA-N 427.574 2.405 30 10 IEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1cnccn1 1690179115 NFGCFQQLJXNRCU-UHFFFAOYSA-N 432.557 2.352 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCCS1(=O)=O 1690520299 QETOVHDIRGCJNO-UHFFFAOYSA-N 449.577 2.399 30 10 IEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1)C1CC1 1690545102 JXIXXMSQUZJSTN-KRWDZBQOSA-N 429.546 2.342 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1690578129 RBAXBZMNTNSACT-FUHWJXTLSA-N 430.578 2.204 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)CC1 1690663552 ZRUPFQKBPJBXJK-MRXNPFEDSA-N 431.562 2.277 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)C1 1690684490 GROATPRZJPROOC-HUUCEWRRSA-N 434.447 2.131 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1693270585 JLKYQFNGZMLTQO-FDDCHVKYSA-N 435.532 2.296 30 10 IEEE CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1695471129 CCSKINFIOKYHRN-GDBMZVCRSA-N 428.562 2.386 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCN2CCOCC2)CCOC1 1696068937 JLXIMZKKWGJZOT-PKTZIBPZSA-N 446.596 2.173 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1696477526 DCTRVAWRVYVRME-UHFFFAOYSA-N 447.952 2.275 30 10 IEEE COc1ccccc1CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1697596044 BRNYHEOEXKAVCL-DQRAZIAOSA-N 436.516 2.402 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C[C@@H]1F 1698449791 VJMCGMGXQFQNLX-QFUCXCTJSA-N 442.539 2.370 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncnn1C(C)(C)C 1705491800 HZQXPDFTFGOKRR-KRWDZBQOSA-N 448.579 2.305 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1705613411 GZDQCKCAZPWHFF-SFHVURJKSA-N 444.580 2.378 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC)N2CCCC2)CC1 1705647890 KSSVJSMCYCGZSM-SFTDATJTSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705658239 JNZJWVTUVMNHLG-UHFFFAOYSA-N 436.541 2.308 30 10 IEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705847958 CBZJBJVPYFTEIG-HNNXBMFYSA-N 439.969 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705896721 WEAAVEUDVAVYIY-CABCVRRESA-N 445.545 2.251 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)C1 1705914618 COPMYWBUTFZJSV-IRXDYDNUSA-N 448.593 2.042 30 10 IEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1711351930 CXYAIOILBIFGRI-WJOKGBTCSA-N 442.589 2.326 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](OC)C(C)C 1712536892 HRJLCRQYYBFZDQ-DNVCBOLYSA-N 444.536 2.208 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCC1=O 1722292188 MMIANQTWSVXLSH-INIZCTEOSA-N 433.516 2.454 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722365690 DYKJAKKKIAIRPV-IBGZPJMESA-N 428.558 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1722385457 IJVREQQVVDHNMS-UHFFFAOYSA-N 440.569 2.112 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1722433795 DKNSTCIKHBRFSB-WOJBJXKFSA-N 440.592 2.490 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCCCC[C@H]21 1722450905 DKGOSARIGVMETN-YESZJQIVSA-N 425.624 2.414 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722499035 GWEQXOKWKQNIFB-KNQAVFIVSA-N 437.548 2.389 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722518207 WYWMEUSEQCMFCX-LVCYWYKZSA-N 438.594 2.311 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)NC)CC2)nnc1C1(c2ccccc2)CCC1 1722703436 AEPLTOXSWAVBHI-UHFFFAOYSA-N 436.560 2.013 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1722704276 FVBYRWGNKIMPRI-LJQANCHMSA-N 449.559 2.420 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@]1(O)CCN(C)C1 1729043857 SOJRTXUCKDGJEP-URXFXBBRSA-N 438.576 2.212 30 10 IEEE CNc1cc(N2CCC[C@H]2Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)CC#N)ncn1 1729736476 OSPKYULQJKNVRR-IXDOHACOSA-N 425.541 2.369 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1740542503 WORXRTNBSIZRCK-OALUTQOASA-N 440.592 2.446 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1740544820 KPVJJLYXNSMKRO-QZTJIDSGSA-N 434.544 2.390 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1740600155 JIXVPZFLKFYMOZ-WAIKUNEKSA-N 426.517 2.380 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1740685351 MIMXQHNOVKRINI-KRWDZBQOSA-N 433.553 2.004 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCC(C)CC2)CC1 1740700021 CGIPQGBBQXWMKU-UHFFFAOYSA-N 440.567 2.483 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740722607 KHQBNEMBYRBJEF-UHFFFAOYSA-N 431.562 2.481 30 10 IEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740813839 IHGITNGLBNVSQM-OAHLLOKOSA-N 434.997 2.472 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1740828336 ZFRGGSSAUFWXTN-UHFFFAOYSA-N 429.484 2.427 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1740958999 YLNGRHIZTYLZIK-KRWDZBQOSA-N 443.548 2.436 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1741804447 CSNVJIITDSCHLK-MRXNPFEDSA-N 442.545 2.292 30 10 IEEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1744132568 DKMBZZNTHSOJQT-FOIQADDNSA-N 432.504 2.424 30 10 IEEE CCCNC(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745777212 CWHYTJLIGDHLMO-IRXDYDNUSA-N 439.568 2.085 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1745793718 CYBGDEWHEDHFNG-GOSISDBHSA-N 448.531 2.494 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1748655794 GDKUHYPFAYCDQF-KRWDZBQOSA-N 425.533 2.285 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748810603 YEAWBGCGHLEQTO-XLIONFOSSA-N 444.557 2.005 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC1CCN(CC)CC1 1748855611 DZZSMRLHHPGGTA-UHFFFAOYSA-N 438.601 2.464 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1748979172 XEBRBCKBEJMTSY-RTWAWAEBSA-N 434.588 2.490 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2csc(C)c2)CC1 1749005056 RBFGAAWAXIEORO-QGZVFWFLSA-N 445.589 2.386 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749020058 KEHCUVQJUJVRBE-DLBZAZTESA-N 426.546 2.297 30 10 IEEE COc1ccccc1-c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1749025832 KHIDTPGZFOEXKR-QBELJNMPSA-N 440.479 2.274 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@H]1COCCO1 1749600304 VIDIMVDPZMGAKP-PXNSSMCTSA-N 430.505 2.235 30 10 IEEE CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1750595163 ZWAHFIYCOREUPE-SQNIBIBYSA-N 448.568 2.450 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1750985738 XYVJRJVRXUKFGZ-UHFFFAOYSA-N 440.548 2.363 30 10 IEEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCSC2)CCOC1 1751014490 VXIDOKKKUXPUKL-LEWJYISDSA-N 435.594 2.317 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC=C 1760112281 DKDAPKWRAHBXNA-INIZCTEOSA-N 430.553 2.153 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1760117279 NPFDIJMHSBOVKP-XLIONFOSSA-N 425.533 2.359 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OCC 1760173322 QXLXXHXJSFIUSP-UHFFFAOYSA-N 425.514 2.260 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760192164 RLTXJKFCVYWNBP-CEXWTWQISA-N 428.558 2.182 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1760205987 ORMHLRFVWVMFLM-OAQYLSRUSA-N 445.633 2.011 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCN(C)C1 1760216238 GJHFBUZJOXROAK-XMMPIXPASA-N 430.512 2.130 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1760230149 SSYTXIIZTWYYGN-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCOCC1 1760247687 LCLZWZZBPCMSCI-UHFFFAOYSA-N 436.560 2.245 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCOC[C@@H]2CCOC2)CC1 1760263136 PCJWRLBWLCUIIE-FQEVSTJZSA-N 429.590 2.129 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760303032 ZATCERWTJOKQFU-WBMJQRKESA-N 445.325 2.037 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1760329215 TZEVHWQRHKOIRN-UHFFFAOYSA-N 432.550 2.153 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760437719 MGESUNZFKKHHKF-INIZCTEOSA-N 435.532 2.215 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760518923 MAUPLCRSHUXJOR-DEOSSOPVSA-N 438.576 2.111 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC)C1 1760542998 PLCACWBXGYTZCZ-QZTJIDSGSA-N 427.505 2.076 30 10 IEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1763271635 WUUTVGXWFZDSLX-QMHKHESXSA-N 441.532 2.192 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)CC1 1766881363 WKDYJSJZBJJKSE-UHFFFAOYSA-N 449.584 2.331 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCCOC4)n3CCOCCCO)CCO2)c1 1770736120 UDCGHCDCINXPPO-RTWAWAEBSA-N 441.532 2.021 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CC(=O)NCC(F)F)c1 1770745973 IAUJXEOAANCZIB-SFHVURJKSA-N 444.486 2.451 30 10 IEEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1771535357 KFHDHPIXXWVVOF-QZTJIDSGSA-N 438.523 2.268 30 10 IEEE COc1ccc(N(C(=O)c2cccnc2N2CCOCC2)C(=S)N=CN(C)C)cc1 1851628777 MCNYFHVYPQZYGI-UHFFFAOYSA-N 427.530 2.448 30 10 IEEE N#Cc1ccc(OC[C@H](CS(=O)(=O)c2ccccc2)OCCN2CCOCC2)cc1 1851844993 WPCGCSVWENHHDW-OAQYLSRUSA-N 430.526 2.128 30 10 IEEE Cn1nc(C(F)(F)F)cc1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851848118 WLHQTJVXNAXQCA-UHFFFAOYSA-N 448.858 2.399 30 10 IEEE Cc1cccc(C)c1N1C[C@@H](C(=O)N(C)c2snc(N3CCOCC3)c2C#N)CC1=O 1852590111 YENAHFGYIXCCAL-INIZCTEOSA-N 439.541 2.484 30 10 IEEE Cc1ccc(-n2cc(C(=O)O[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)nn2)cc1 1852872970 KRZBIDJBUVYOHG-JOCHJYFZSA-N 447.495 2.384 30 10 IEEE Cc1ccc(C)n1[C@@H](CC(=O)N1CC[C@@]2(C1)C(=O)N(C)C(=O)N2C)c1ccc(C#N)cc1 1853039906 FHVUHPLLUOYFMM-GBXCKJPGSA-N 433.512 2.451 30 10 IEEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccnc(Cl)c4)C(=O)C3)C2)s1 1856380103 LODJZSNSGNRVAR-HNNXBMFYSA-N 429.933 2.227 30 10 IEEE N#Cc1ccccc1-c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccn12 1858353336 MYZIYUDFTMYDKY-UHFFFAOYSA-N 445.504 2.493 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862630345 RMHQEOVJIKKTPG-SFHVURJKSA-N 426.381 2.284 30 10 IEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862677345 ADBKMXXDGRZFOE-SFHVURJKSA-N 426.400 2.238 30 10 IEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862738331 YZRINSLZBVJFMR-BBATYDOGSA-N 428.397 2.268 30 10 IEEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 1866736574 RUORYVRNBSFZSD-UXHICEINSA-N 435.480 2.329 30 10 IEEE N#Cc1ccc(Cn2cnc3c(nnn3Cc3cc(Cl)cc4c3OCOC4)c2=O)cc1 1870101885 NUOAVNHQLUYAKK-UHFFFAOYSA-N 434.843 2.476 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCC)cn1CCCn1ccnc1 1870681709 KFRQJLANDAISCE-UHFFFAOYSA-N 427.549 2.214 30 10 IEEE CSc1ncc(Br)c(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)n1 1891318756 DRIYYTLAAICKRY-JTQLQIEISA-N 435.307 2.306 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993457684 VJYWIVPHEBNYLH-VFNWGFHPSA-N 427.542 2.334 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)[C@@H](C#N)C1 2162765212 YFFGCGCNHHTWOF-VIFPVBQESA-N 436.899 2.443 30 10 IEEE N#Cc1cc(Br)cnc1N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2176946165 RHTQJNXJNMJWPW-UHFFFAOYSA-N 433.228 2.068 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2232321147 OJYBXFUEMQUSKV-MSOLQXFVSA-N 445.369 2.453 30 10 IEEE C=CCCC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2247412344 YZUXGOGHKMNUHP-CVEARBPZSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247923130 SSDCZQRWIPUXFB-OLZOCXBDSA-N 437.371 2.333 30 10 IEEE Cn1nc(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255625611 UKFVTHOOKMIMHU-UHFFFAOYSA-N 436.362 2.143 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)ns2)OC1(C)C 2255637144 AGRBOTPVSURYIV-KRWDZBQOSA-N 438.362 2.292 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258958109 TYDFZONNLOKPEG-ZHRRBRCNSA-N 434.342 2.011 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258958187 FIGXIFMPLAJKSH-SJORKVTESA-N 436.358 2.447 30 10 IEEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267137508 NQKAIGYPDGLKDI-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267520609 NMMCJZJECSVROQ-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267524274 NPYPGSHGDNMLGR-QLFBSQMISA-N 446.357 2.036 30 10 IEEE C[C@H]1COC[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N1C(=O)OC(C)(C)C 2268646927 LREKSUKDORTTBT-HOCLYGCPSA-N 447.341 2.344 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268716560 FKHDRAMKGJPBRU-NVXWUHKLSA-N 448.369 2.296 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2269057327 IRCYMBNFZWXFNC-SFHVURJKSA-N 442.321 2.207 30 10 IEEE COCCn1cc(C#C[C@@H](N)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cn1 2318058259 ZSRQSIRYWHPWBP-FGZHOGPDSA-N 441.576 2.234 30 10 IEEE COc1cc(C=Nn2c(SC)nnc2[C@@H]2CCCO2)ccc1OCCN1CCOCC1 2330884443 VGSUJABJGZBBNF-SFHVURJKSA-N 447.561 2.453 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)n1C 2337191455 ZKGFPPXOOCZZAY-OAHLLOKOSA-N 448.373 2.109 30 10 IEEE COc1nc(N2C[C@H](OC)[C@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786934 UBUNQQJUICDVFQ-CVEARBPZSA-N 449.357 2.118 30 10 IEEE N#C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)[C@H]2CCN1C2 2368601586 NUJCYPAAVBZXHO-QWRGUYRKSA-N 446.086 2.476 30 10 IEEE N#C/C(c1nnc2n1CCCCC2)=c1\s/c(=C\c2cccnc2)c(=O)n1-c1ccccc1 9090875 ANMFHLGPDKQKOH-WLZDACCGSA-N 440.532 2.163 30 10 IEEE C[C@H](NC(=O)CSc1nnc(N/N=C/c2cccc([N+](=O)[O-])c2)n1N)c1ccccc1 20291930 BRKHKHQVENYDBW-PUFAJPFRSA-N 440.489 2.316 30 10 IEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1 59887551 BROUEWSNFJSOOD-AWQFTUOYSA-N 448.940 2.441 30 10 IEEE COc1ccc(/C=C\C(=O)N[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C(C)C)cc1 98008876 CIBCZTRDGKBJCF-CPHCERPDSA-N 427.501 2.201 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccccc1 102487017 YCZCXVDKBAQWRP-GOBJLOIFSA-N 437.452 2.349 30 10 IEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1C 103094440 FPAWBGGEXJFZQJ-BWHWTHMTSA-N 440.500 2.187 30 10 IEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1)c1ccc2c(c1)OCO2 254747440 FJPKCEIJFJMZNH-LPHOPBHVSA-N 444.534 2.369 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 409514333 QKIGUSGTWUTZHR-RDJZCZTQSA-N 436.582 2.444 30 10 IEEE C=CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)c(OC)c1 480400360 GXXXIORFFIIBCK-HJPURHCSSA-N 432.517 2.432 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 481134469 FMJQQHCJSZXLFI-OAHLLOKOSA-N 432.933 2.227 30 10 IEEE CCC1(CC)[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1OC 482725277 VHNSMSSQHDHOBL-RBUKOAKNSA-N 434.562 2.168 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 501537830 DFFOXCYDRVQWIH-HXUWFJFHSA-N 441.557 2.295 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)cc2C1=O 518297762 QERCLIJWEBQBIP-UHFFFAOYSA-N 443.456 2.400 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccccc2)CC1 555179740 FUECTDFBFANZPB-UHFFFAOYSA-N 446.555 2.426 30 10 IEEE Cc1nsc(N2CCN(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)c1C#N 573738581 QWNHZSATFWULNP-UHFFFAOYSA-N 440.573 2.187 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 580130724 IQGYIMIZSPHRNM-MOPGFXCFSA-N 431.562 2.009 30 10 IEEE N#Cc1ccc(OC2CN(C(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)C2)nc1 585245155 HKCCHQDDQUXVDI-AWEZNQCLSA-N 441.285 2.358 30 10 IEEE COc1ccc(S(=O)(=O)OC2CCC(NC(=O)Cc3ccncc3)CC2)cc1OC 586510045 NUUZWZHFTMQQSX-UHFFFAOYSA-N 434.514 2.474 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O 588934490 KSUILXRNCSYIDQ-QHCPKHFHSA-N 426.517 2.424 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cc1 607947495 IDYYWQQFQCINKX-LJQANCHMSA-N 438.549 2.107 30 10 IEEE COc1ccc(Br)cc1CN(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465502 GSFLRIOWYKYMFS-MSUUIHNZSA-N 437.294 2.126 30 10 IEEE COC(=O)[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 739995608 RGPGPJRSVYDJAL-OAQYLSRUSA-N 427.526 2.463 30 10 IEEE COC(=O)[C@@H](OC(=O)CN(C)C(=O)c1ccc(Br)o1)c1ccc(C#N)cc1 740225717 LLXZXHFDOZQHTE-INIZCTEOSA-N 435.230 2.443 30 10 IEEE C[C@@H](NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc2c(c1)CCCC2 741339705 IDPSLAZFWIFNRE-MOENWIOGSA-N 425.485 2.202 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2scnc2C)c1=O 743725097 CTXXEUJNDBGNIW-UHFFFAOYSA-N 436.562 2.098 30 10 IEEE COC(=O)CSCc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747495352 LZHBQZHBQULHIG-UHFFFAOYSA-N 427.482 2.228 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc4c(c3)CC(=O)N4C)cc2C1=O 754896901 RVWWVNYGHAUXDS-ZDUSSCGKSA-N 432.432 2.416 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n1 788571421 YITBPFASKBIOEL-QZTJIDSGSA-N 426.521 2.205 30 10 IEEE C=CC[C@@]1(C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 791715856 HTWYGCCLFDSTKM-QFIPXVFZSA-N 437.537 2.003 30 10 IEEE C[C@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(=O)NC1(C#N)CCCCC1 796410458 CTZFJQKFJQAINU-VDZJLULYSA-N 443.548 2.383 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](COC(=O)[C@@H](C)n2cnc(C#N)n2)c2ccccc2)cc1 798746221 QACJKZQOYOQVCY-APWZRJJASA-N 439.497 2.282 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)ccc2c1=O 802243105 YEQCRBYJPQHSJU-QAPCUYQASA-N 429.542 2.169 30 10 IEEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)C(=O)NCc1ccc(C#N)cc1F 804161847 CSTJQFWNZOXNGI-DYVFJYSZSA-N 448.495 2.190 30 10 IEEE C#CCN(c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C)[C@H]1CCS(=O)(=O)C1 809809598 SQHHGFBSMVUUIY-KRWDZBQOSA-N 432.546 2.296 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1 1150787834 GDKRBBSACDVOGN-OAQYLSRUSA-N 444.465 2.210 30 10 IEEE C=C(C)C[C@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C(=O)OC 1151604504 MEWIBWBQMWMJFZ-AWEZNQCLSA-N 440.237 2.370 30 10 IEEE C=C[C@@](C)(CCOC)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1167325255 OAAQRPREPRXLAI-QFIPXVFZSA-N 438.569 2.032 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2c(Cl)cccc2OC(F)F)cc1 1171708287 LDXCCKMZPGQPAQ-UHFFFAOYSA-N 429.832 2.408 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 1175992575 QZNSOLWNMFMBSE-VMBXEPDQSA-N 426.561 2.453 30 10 IEEE C=CCOc1c(Br)cc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc1OC 1179304631 PKPDRUQAKXMUKH-RYUDHWBXSA-N 429.311 2.178 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286354730 UAPWMUUNQFFZHH-UHFFFAOYSA-N 449.603 2.248 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)nc1 1286376177 GZBIVAYRYYHFOA-SFHVURJKSA-N 426.521 2.408 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286386866 ITGBISBWUQEWEE-HZPDHXFCSA-N 437.516 2.346 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1286392989 ILPKVMRKLCVJCE-KRWDZBQOSA-N 433.603 2.032 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1286438928 LKPSGIKEDNIELX-SFHVURJKSA-N 438.557 2.046 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](OC)[C@H](OC)C1 1286499604 MZUHROKMNYJQLU-KDURUIRLSA-N 432.546 2.179 30 10 IEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286591998 AFRGPWYNCMITSR-UHFFFAOYSA-N 429.525 2.212 30 10 IEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1286706055 JKPZCPQOWBFDQB-HNNXBMFYSA-N 439.607 2.495 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1286727492 RKGLEMMKTKORFC-MJGOQNOKSA-N 433.578 2.345 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(C(C)(C)C)CC1 1286821369 IXPNAGWSORNLLJ-UHFFFAOYSA-N 446.621 2.175 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1300270819 FMDCCNYEUFOXDC-HOTGVXAUSA-N 446.577 2.111 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1300304959 RDFAEGONOMILLK-ROUUACIJSA-N 449.559 2.409 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2 1300396090 JODSRSPAXGXCJN-HNNXBMFYSA-N 432.521 2.439 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300489700 QWLRBSOIILAWFQ-HNNXBMFYSA-N 440.928 2.401 30 10 IEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300490667 BAEUPVFRYBSACN-QGZVFWFLSA-N 444.948 2.007 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc2ccccc12 1300672340 ZADSYMWHRHHUKP-MRXNPFEDSA-N 428.514 2.061 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300768582 UJLSHVVGTODIEH-QFIPXVFZSA-N 441.557 2.297 30 10 IEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300777013 QBNVBZKTPGFJIN-WBVHZDCISA-N 429.521 2.077 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1300799245 YOIPFCJIBRWBMF-OAQYLSRUSA-N 440.529 2.045 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1300960917 TVMJCASLBRCLGZ-UHFFFAOYSA-N 442.539 2.447 30 10 IEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300972994 SGGZXLSRRYNAFX-SBHAEUEKSA-N 432.613 2.373 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1300989952 AKOLDZCXSLIQSH-JJCDCTGGSA-N 431.562 2.196 30 10 IEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1301149701 DRFYUNGVACNMHF-HNNXBMFYSA-N 437.548 2.494 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCCC2)CC1 1301508988 YBTMSVLLWVFOFS-UHFFFAOYSA-N 443.621 2.391 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cn1 1303510767 CVIKOYDNXKNHJD-DOTOQJQBSA-N 432.550 2.149 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OC(C)(C)C[C@H]2O 1304257296 ZHPQNMYLIMNUBF-SCLBCKFNSA-N 429.498 2.458 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1306555552 IAFAMXPEUPODAH-IRXDYDNUSA-N 444.511 2.277 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)c1 1307856802 PGUIULJABJFCIR-KRWDZBQOSA-N 444.413 2.426 30 10 IEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(F)ccc1Br 1309089049 ZWFODSCDQSZIBT-CYBMUJFWSA-N 426.329 2.093 30 10 IEEE C#Cc1ccc(S(=O)(=O)N[C@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)cc1 1309859653 KLYYVFUYSYAUMP-GOSISDBHSA-N 436.530 2.135 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)N(C)C 1314522002 BSYHYTNXICIETM-LJQANCHMSA-N 430.578 2.028 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1316171911 XYHUMIHWGUARBS-GUDVDZBRSA-N 434.585 2.241 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1316284582 BAOAAQOECKKCMT-AGMBJANBSA-N 447.486 2.491 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C)[C@@H]3c3ccc(F)cc3)CC2)c1C#N 1320985203 ZFGOTOIDDHXEEC-VQTJNVASSA-N 425.512 2.016 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)SC)c1 1358900232 FZINYYAEKLIVSH-MRXNPFEDSA-N 440.573 2.322 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1358976097 QOAZLJXNHNCSIS-FQEVSTJZSA-N 430.556 2.356 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cn2ccsc2n1 1358996985 AEASKJSMKROAAB-UHFFFAOYSA-N 449.565 2.490 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1359055859 QZAMBMUQOVDWHD-UYAOXDASSA-N 444.649 2.339 30 10 IEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359134759 GSARWBWKRZNXJB-UHFFFAOYSA-N 441.561 2.110 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359198211 LAFKJISNMGFNCX-ZWOKBUDYSA-N 441.598 2.019 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359224525 UUYHETHQFAEKGU-LJQANCHMSA-N 429.546 2.423 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2CCCO)C1 1359318911 OTSUFRHYHJADLT-UXHICEINSA-N 426.565 2.277 30 10 IEEE CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1359460787 AFCVAXIEEFCWOD-UHFFFAOYSA-N 447.543 2.092 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1359474252 PGYIFKYRSNTDTR-BPQIPLTHSA-N 428.562 2.291 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(C)o2)CC1 1436232880 ATKWHXMRNKMZBS-UHFFFAOYSA-N 435.436 2.303 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)nn1 1451877699 GJUXYWNJMRUGLX-UHFFFAOYSA-N 445.476 2.343 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCS(=O)(=O)CC(F)(F)F 1461399620 VDUGUPDLMZMCOJ-GFCCVEGCSA-N 429.461 2.057 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 1467585567 NRFMRTDJJPKBOA-HXUWFJFHSA-N 431.533 2.055 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)CC2)cc1 1470630418 BGSDELSHLDJDQR-SFTDATJTSA-N 438.528 2.189 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1C 1492392103 HUDHUACKLHSSPP-RTWAWAEBSA-N 441.532 2.398 30 10 IEEE CCc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498995046 WHOJSBMRVBISMN-UGNPLGLKSA-N 436.516 2.162 30 10 IEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC1(O)CCOCC1 1499145179 DYXHHOIHAAEKHK-UHFFFAOYSA-N 428.512 2.109 30 10 IEEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1503555426 FJQIJDVMXDWNGX-UHFFFAOYSA-N 431.500 2.222 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)C[C@@H](C)O1 1504711671 GHEZOCCMMDQKOE-CXAGYDPISA-N 425.518 2.265 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2CC(=O)NCC(F)F)cc1 1505314734 ACMVWPNAXNNIBZ-IAGOWNOFSA-N 430.459 2.346 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1507556637 KDCSQPCFSVNDMX-MRXNPFEDSA-N 436.607 2.080 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507588903 CFEWZEBECCNPOZ-UHFFFAOYSA-N 428.496 2.410 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1507605667 XKYWXTBEFBFBCU-OAQYLSRUSA-N 443.939 2.327 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507637251 IZFGNCHXZROYNQ-QFBILLFUSA-N 434.537 2.384 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ncnn1-c1ccccc1 1507713274 CZNMTXSLPOQPCA-UHFFFAOYSA-N 448.556 2.349 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507915876 GEWVUSUCLYAUDV-OALUTQOASA-N 432.613 2.421 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C 1508093625 JDMAAGBUZXHBBG-OAHLLOKOSA-N 433.578 2.479 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(Cl)cn2)C1 1508112415 AGTCNFQQKBVJLR-XLIONFOSSA-N 436.944 2.262 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H](C)c1nccs1 1508142737 VAZRTEJGHLHJFI-CABCVRRESA-N 425.580 2.079 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)OC)C1 1508154576 BOVRTCWVMRPRAP-AWEZNQCLSA-N 433.534 2.314 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1508312701 BZKQIGAAESPBEK-KKIUXKEOSA-N 442.589 2.469 30 10 IEEE CC(C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508842127 IEGSZJCPZDRLJO-QHCPKHFHSA-N 434.548 2.284 30 10 IEEE CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1Cc1ccc(C#N)o1 1509002042 JPUJIAGTVBJEPW-SFHVURJKSA-N 439.564 2.437 30 10 IEEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1512251563 IDRHVKSEFNIVHP-QGZVFWFLSA-N 442.589 2.314 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1515036461 CVPAYNZCUFSNGA-UHFFFAOYSA-N 447.547 2.229 30 10 IEEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1517449509 STSUUPVHQVKNCR-RTBURBONSA-N 438.532 2.351 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCn2ccnc21 1517451345 HQGSCCNBKKMWAF-LPHOPBHVSA-N 432.532 2.409 30 10 IEEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC(=O)Nc2ccc(C#N)cc21 1527650069 BYLYLPYWBJTTQE-JXFKEZNVSA-N 434.496 2.386 30 10 IEEE C#CCN1CCC(C(=O)N[C@]2(C(=O)OC)CCc3cc(Br)ccc3C2)CC1 1533133197 CZOQJTIPQZDBEX-OAQYLSRUSA-N 433.346 2.311 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)(F)F 1538974225 UHKXPXQPYOMXLR-ZDUSSCGKSA-N 431.422 2.472 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1539296080 KQODYAMXECCIMU-QGZVFWFLSA-N 449.490 2.173 30 10 IEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)C1 1539545391 HDMHIWFDCIZVMP-GASCZTMLSA-N 443.529 2.204 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539820030 BKOHBXAQVDOYDB-UHFFFAOYSA-N 446.360 2.345 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@](=O)CC)CC1 1539884046 BSZGEGJUHBJCRD-WJOKGBTCSA-N 440.573 2.363 30 10 IEEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539982672 POPJPQUREBHVCO-ROUUACIJSA-N 425.599 2.389 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1540006396 SDZAYNDKWGGCFB-DLBZAZTESA-N 443.639 2.155 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1540874068 ULWRHXFEIWUUIH-UHFFFAOYSA-N 431.928 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1540894972 IHDCYEGPALWNSX-JXHRLWIKSA-N 428.533 2.487 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1541136897 DBKKMLPEOHJIHA-RTBURBONSA-N 449.559 2.226 30 10 IEEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555725578 XBKOJWXGLYUHFD-QFIPXVFZSA-N 448.527 2.376 30 10 IEEE C[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc(OCC(=O)NC2CC2)cc1 1559699543 XWWGCMWBDHGJNF-KRWDZBQOSA-N 431.492 2.294 30 10 IEEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)OCC 1585910677 KCNNVZMOUTZAQC-QFIPXVFZSA-N 428.577 2.440 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1587915331 JBRNEPLAZGGEKU-AWEZNQCLSA-N 427.896 2.352 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@H]1C 1588011940 PDOUHMXEYAHLRF-LIRRHRJNSA-N 435.322 2.229 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588059038 HYFHLHJECSMPTH-LSTHTHJFSA-N 446.548 2.060 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588180148 BSBABDXZDHOZRP-VAMGGRTRSA-N 431.606 2.459 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)C(C)(C)C 1588604669 OCIGYTRYNVAFMT-UHFFFAOYSA-N 439.969 2.293 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1594566170 APXHZVSQIUNIFI-RDJZCZTQSA-N 435.598 2.492 30 10 IEEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1596585490 DCOHDWXAVFYURR-KDOFPFPSSA-N 443.550 2.452 30 10 IEEE CN(C)S(=O)(=O)C1(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 1597921870 KGGKTFVEYIGNCU-UHFFFAOYSA-N 438.981 2.358 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)O1 1613679985 LMUAPVCHANLAKX-SELNLUPBSA-N 438.532 2.116 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1619768686 KSCGZSZWFKRWTE-QHCPKHFHSA-N 434.500 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](OCCN4CCCC4)C3)C2)C1 1622395621 FOWIHSSZFWOVGA-QFKVYABISA-N 446.592 2.487 30 10 IEEE C=CC1(CC(=O)NCC(=O)NCCc2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1626572465 RXYXTKZNUDEOLV-UHFFFAOYSA-N 431.533 2.283 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(C#N)CCCC1 1628340549 KJDFHQRGNLQSTP-INIZCTEOSA-N 425.938 2.073 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1 1632139576 XOGRPOXSNRWCRJ-HXUWFJFHSA-N 440.521 2.333 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(-c2ccc(Br)cc2)no1 1632880656 WDEADPCFYPTRBE-FBMGVBCBSA-N 431.246 2.360 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC1 1635881834 GWDCRIGTZWOHLL-XKGZKEIXSA-N 431.537 2.072 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)ccc1F 1637872011 UFVKLEQMZVHKEY-DYESRHJHSA-N 436.480 2.230 30 10 IEEE CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1638018937 OGUAVCDFPJTQAJ-SJORKVTESA-N 425.570 2.340 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1640555780 YBNJMKKYAAIGOP-LIRRHRJNSA-N 441.488 2.335 30 10 IEEE N#Cc1cn(CC(=O)N2CCN(Cc3ccsc3)CC2)c2ccc([N+](=O)[O-])cc2c1=O 1640906520 NPJXCUGNHBCGPP-UHFFFAOYSA-N 437.481 2.187 30 10 IEEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1643014604 DESLLQBSJYEVGQ-OAGGEKHMSA-N 449.573 2.330 30 10 IEEE CCCN(C(=O)[C@@H](C)N1CCC(Nc2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 1644004448 RVABDILAYNBXLX-XLIONFOSSA-N 432.590 2.249 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc1 1644321580 MNZYTSKUOYINMB-RBUKOAKNSA-N 432.542 2.038 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)CC1 1679265978 HJYWKDOTOWSEEI-GOSISDBHSA-N 426.970 2.222 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)C1 1681228385 YBWGMFHIPULPBW-OTWHNJEPSA-N 441.532 2.349 30 10 IEEE C=CCn1cc(CNC(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)nn1 1683483184 QIGIVSIWOYCKCU-UHFFFAOYSA-N 431.298 2.149 30 10 IEEE O=C(NCC#CCO)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1683601713 AHIGLMQFUJHXFJ-ZROIWOOFSA-N 428.297 2.325 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689984312 NHPLBVCGYDBJQW-LJQANCHMSA-N 445.589 2.348 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1689993612 IGMXRJYOQQHLLQ-NZQKXSOJSA-N 444.601 2.241 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689996592 KJVHXMMRCCSWCO-YESZJQIVSA-N 430.530 2.073 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1690017147 AEECGMZGMNLXJT-FQEVSTJZSA-N 437.519 2.269 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690175343 VFVZJKPEIODVOQ-GOSISDBHSA-N 425.558 2.310 30 10 IEEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690301815 YWJGVEKLTKRORT-APWZRJJASA-N 447.511 2.101 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690513751 IFLUEBCPYFAJCN-MRXNPFEDSA-N 448.535 2.048 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C(C)=O)CC1 1690517351 CCTWEHUVOHQPHN-UHFFFAOYSA-N 434.548 2.122 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCN1CCCS1(=O)=O 1690613650 PARIINMBXLLDNT-UHFFFAOYSA-N 445.545 2.366 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690722512 MAYGBERUUCUKDJ-GOSISDBHSA-N 431.562 2.072 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1690746949 OZDPGCMXBVSUNH-SFHVURJKSA-N 449.602 2.050 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCOCC2)C1 1690973041 RKDXRTQBVQNVSC-UHFFFAOYSA-N 440.573 2.445 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)OC 1693958122 IDTQQWGLNRYNTM-UQASEVPWSA-N 439.499 2.424 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC 1694454060 MJDYIQYOFPWGOR-FUHWJXTLSA-N 442.520 2.431 30 10 IEEE CCN(C)C(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695502199 CVMQQPHERDFTHD-UHFFFAOYSA-N 449.490 2.021 30 10 IEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1695999920 HGBDGHJQLYMRHJ-SFHVURJKSA-N 426.521 2.259 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1698294788 BZCSQFKURUYHOS-LJQANCHMSA-N 436.497 2.343 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)CCC)cc1 1705477955 URPOFJFLFKIRHM-CVEARBPZSA-N 446.577 2.133 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705703850 WVNRAXQZWWREBC-BTCOZLQPSA-N 444.580 2.272 30 10 IEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705831939 IIHOEJJGYMGGEW-GOSISDBHSA-N 427.505 2.399 30 10 IEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705944761 REUKFIZUINHFSW-UHFFFAOYSA-N 436.607 2.167 30 10 IEEE CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1710275221 LKFZVFGQMUTSHK-JTSKRJEESA-N 428.537 2.362 30 10 IEEE CNS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1711420255 DRRGZUJCXKDPPE-FQEVSTJZSA-N 427.534 2.106 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC=C 1722277892 JRNHZRKEQSNKQS-ZDUSSCGKSA-N 440.367 2.105 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722306012 GFHFLHQIFSLRET-UHFFFAOYSA-N 444.477 2.340 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCc1cccc(C(=O)N(C)C)c1 1722424337 KBNVFLGBIAHRMH-UHFFFAOYSA-N 434.544 2.314 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCCC)CC1 1722430735 IXWOOJBFQMBFET-HXUWFJFHSA-N 438.576 2.316 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCC(=O)N(CC)CC)CC1 1722433583 AROOZJYFGXMYAL-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(C)C)c2)CC1 1722436969 NXENOEAMPXVMMP-OAQYLSRUSA-N 436.560 2.068 30 10 IEEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)N2CCOCC2)CC1 1722568319 HLMGAQSPIXQIIV-UHFFFAOYSA-N 425.533 2.489 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@@H]2C)CC1 1722580586 DSVVSRDBFKLZLN-UHOSZYNNSA-N 437.610 2.450 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)O 1722654333 LKGBMAIDJUPFTL-QGZVFWFLSA-N 434.562 2.152 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1722671458 TYFYRXUZDJRXRN-LEWJYISDSA-N 436.560 2.481 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1722719429 UBTZLDCXYBKUKQ-HZPDHXFCSA-N 437.953 2.058 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)cs1 1725343838 LAYFJRDDCGHYJG-RXVVDRJESA-N 447.584 2.313 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccccc1F 1727607199 JLXKVRKDURXEEN-UHFFFAOYSA-N 448.506 2.003 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1727869030 GAGHRRHMTMNSJZ-SFFCAUCYSA-N 449.515 2.168 30 10 IEEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728955731 WNPSCJLTOJZZQW-UAYHFDEJSA-N 444.536 2.051 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729413886 QKYYCMPKPBPETP-BSBNDGSWSA-N 440.479 2.084 30 10 IEEE N#CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCCCO)CC1 1731185172 SPYCKMSCKKWCTQ-UHFFFAOYSA-N 446.939 2.000 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(=O)N(C)C2CCCCC2)CC1 1740706156 RWSLSTNAOMDILN-UHFFFAOYSA-N 442.608 2.234 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1745008648 BNZHCDYRUOROEM-ZJYNUGOYSA-N 441.561 2.142 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748821552 RHXWVMUADLLXKA-YSIASYRMSA-N 442.585 2.355 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2CN(C)C(C)C)CC1 1748987273 RGKLQKAGEGGLPY-UHFFFAOYSA-N 446.603 2.322 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749040267 SDWTVBOJMSTIKG-NHCUHLMSSA-N 440.617 2.177 30 10 IEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1749109850 AJBJLZRLTSMMJJ-UHFFFAOYSA-N 447.330 2.386 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1749136614 PTTMNTJDYQGXFC-SIKLNZKXSA-N 430.597 2.302 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749230195 UXGXOLPTBNBQPO-MOPGFXCFSA-N 427.553 2.270 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1)C1CC1 1749526009 ZFTSMQUQLZQOTM-UHFFFAOYSA-N 429.546 2.007 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1749596072 QMFMFUXROGUDSK-KRWDZBQOSA-N 440.470 2.242 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C 1751003416 DFMDWEFJBPDXDF-OAHLLOKOSA-N 434.591 2.086 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1 1760119408 ZNAOVXQVCHCCHW-WOJBJXKFSA-N 425.577 2.498 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760135928 NWXOXYKGNGXQJP-SFHVURJKSA-N 430.578 2.251 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760322794 XOHMCOXTSJRCDL-ZWOKBUDYSA-N 427.553 2.219 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760436818 HJDMROGACVZTPI-INIZCTEOSA-N 433.534 2.158 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760440231 FBWGHQUAJUJHFW-CYBMUJFWSA-N 448.574 2.493 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C)C(=O)C1)C(C)C 1760487736 CJRCWJGPSRIGSK-FQEVSTJZSA-N 425.581 2.261 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760558132 HDRFCKYKYFLKHF-QAPCUYQASA-N 438.525 2.261 30 10 IEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)C)CC2)n[nH]1 1762316582 FYSNNLHGEFVZFC-UHFFFAOYSA-N 449.563 2.319 30 10 IEEE CC1CCN([C@H](C)Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1762949397 LGGYCPNUTRBOIG-TXTKFYIRSA-N 446.596 2.168 30 10 IEEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1765347724 HSWFRAVNYSOICI-UEKDZROGSA-N 444.561 2.085 30 10 IEEE CN1CC[C@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)C1 1769063941 BVOQKRSNUIKFSS-FJDVCKPCSA-N 430.597 2.393 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nncn1C 1769841021 CYJKNRTXSILESX-UHFFFAOYSA-N 431.504 2.345 30 10 IEEE C=CCN1C[C@@H](C(=O)NC[C@@H](OC)c2ccccc2I)CC1=O 1850739616 QIRSHMGMAWYDNQ-SWLSCSKDSA-N 428.270 2.129 30 10 IEEE O=C([C@H]1C[C@H]1C(=O)N1CCc2ccccc21)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851218120 HNEKNNJDBJFNHZ-OLZOCXBDSA-N 429.420 2.082 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)c3n[nH]c4c3COc3ccccc3-4)CC2)nc1 1852437513 NIDWEIZLMMUBQZ-UHFFFAOYSA-N 430.468 2.215 30 10 IEEE N#CC1CCN([C@@H]2CCCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C2=O)CC1 1853680385 GDOKXNQYVBCVHZ-SJLPKXTDSA-N 432.908 2.269 30 10 IEEE CC(C)(C)c1nnc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)nc1O 1859431019 OSZCHOIMUZVBEP-UHFFFAOYSA-N 441.561 2.057 30 10 IEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CCCC)cc1=O 1870561159 BMGNKKXYPFLPKL-UHFFFAOYSA-N 445.585 2.372 30 10 IEEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCC(CO)CC2)cc1=O 1870563765 OIGIZIWQZUOFAQ-JOCHJYFZSA-N 430.932 2.452 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN(CCOC)CCOC 1870755255 KTQPFHGBHCHCLU-UHFFFAOYSA-N 447.507 2.286 30 10 IEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCc4ccccc4C3)ncnc21 1873562371 AATYOUNUDLQVRG-UHFFFAOYSA-N 444.539 2.484 30 10 IEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874280041 IMUIUDIFCHKKSR-XLTHYULKSA-N 432.506 2.267 30 10 IEEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874472025 JEDSSAKKTHVVFI-UFFVCSGVSA-N 441.941 2.335 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060633697 QLHOUCHEDFBHGH-CPBBTPEFSA-N 436.358 2.157 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124537571 ZSIAPACTLINWTD-JLCFBVMHSA-N 444.341 2.361 30 10 IEEE Cc1cnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232268098 JIEJZKMRJHLFTI-WMZOPIPTSA-N 447.385 2.401 30 10 IEEE CCc1nc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247908489 VHFIBWUAIXIBFL-VXGBXAGGSA-N 437.371 2.400 30 10 IEEE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248444780 DFGFAZLDEXWSOC-BXUZGUMPSA-N 443.350 2.310 30 10 IEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255621540 OEYDNPWJEUGZIR-CQSZACIVSA-N 436.362 2.095 30 10 IEEE Cc1nc(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2255812106 MNZAPVUVTBKIFI-YEJXKQKISA-N 449.382 2.490 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)=NO2)C1 2256626874 OZDRNKUIPMVCNI-NRFANRHFSA-N 435.330 2.446 30 10 IEEE Cc1nc(NC(=O)[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256742401 VRSCHHSDRVTJKM-ZFWWWQNUSA-N 432.330 2.326 30 10 IEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)cn1 2258953554 DDLPUWDVIOPPSY-UHFFFAOYSA-N 430.314 2.256 30 10 IEEE COC(=O)[C@]1(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCN(C(=O)OC(C)(C)C)C1 2265857073 XWHUIQBEYJYPPK-QFIPXVFZSA-N 448.325 2.312 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267185660 YNQGEFBYOJOFFN-GJZGRUSLSA-N 448.373 2.143 30 10 IEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 2267198091 TWQHZCPFNBMTHC-CABCVRRESA-N 448.373 2.095 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267595829 KHJFIGLDNPDGOK-AWEZNQCLSA-N 446.357 2.151 30 10 IEEE Cc1ccc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267599140 KMWUHAYKYDGVOQ-UHFFFAOYSA-N 446.353 2.006 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267611960 DZRBLWITBRLGEU-WBVHZDCISA-N 443.353 2.462 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267873598 ZFMVPDXVWCYJJL-AWEZNQCLSA-N 446.357 2.294 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCCO1 2268701855 RZEFSLQSWOLMIN-RDJZCZTQSA-N 447.341 2.392 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3OCC[C@@H]3F)cc2Cl)OC1(C)C 2282312874 CMXFEECHCRCEIS-QWRGUYRKSA-N 425.740 2.106 30 10 IEEE C[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2300337630 KKCZILCATZQIKL-TZMCWYRMSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)C#Cc1ccccc1Br 2313881798 FYQATICRYUKQEM-CQSZACIVSA-N 430.320 2.308 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N[C@@H](CCO)COCc3ccccc3)c2)OC1(C)C 2320428047 XGOLTPPCEFSKAQ-FQEVSTJZSA-N 426.322 2.078 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(N(C)C)cc1 2331273245 CAPNJFSBBUIJKF-UHFFFAOYSA-N 442.545 2.417 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1C 2337329150 YVSKBFFNVVJURB-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1C 2337329454 CFSANRSDYUVEFL-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE N/C(=N\CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1 32225245 YWMQITGDXCEQSI-GOSISDBHSA-N 442.472 2.387 30 10 IEEE CCOC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N/C(N)=N/c3ccc(C)cc3)N=C2O)cc1 40376470 PCWRTKOIJMCESX-KRWDZBQOSA-N 436.472 2.431 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccccn3)n2)cc1OC 59038568 GEAOMIAACTUQNX-CFRMEGHHSA-N 441.517 2.462 30 10 IEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)c1C 59829827 ZNGSRBNLRRCJBO-SSDVNMTOSA-N 439.549 2.476 30 10 IEEE N/C(=N/O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 61888097 HIERAHBOEKIDRQ-PSASIEDQSA-N 441.145 2.405 30 10 IEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)C2CCN(CCC#N)CC2)cc1 62040703 ZKNLRVFACNBNJX-UHFFFAOYSA-N 435.550 2.243 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2N2CCCN(C(C)=O)CC2)C1=O 439393716 AXOQFXWHUCBVRZ-FQEVSTJZSA-N 431.512 2.135 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 460557490 VCJSOWZKZJRJLA-MOPGFXCFSA-N 431.562 2.311 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 463343940 FSESTOBNMSRLQE-GOSISDBHSA-N 433.580 2.483 30 10 IEEE CCOC(=O)C1(O)CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 470556633 PXHNWTUMIXFYLZ-UHFFFAOYSA-N 428.489 2.191 30 10 IEEE COCCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@@H]1CCOC1 490054698 NPBHFFUWLHBJRY-QZTJIDSGSA-N 430.549 2.093 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)c(F)c1 490424522 UNMNSIAGYQGCCE-INIZCTEOSA-N 438.278 2.295 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)ccc1F 503240219 ZUFSWLBDKDYAEY-INIZCTEOSA-N 438.278 2.322 30 10 IEEE COc1cc(CN(C)C(=O)Cn2c(N)nc(C#N)c2C#N)ccc1OCc1ccccc1 504185547 QGTIBSFGEVGIQM-UHFFFAOYSA-N 430.468 2.455 30 10 IEEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2cccc(C#N)n2)CC1 508903438 OZURBUWATIPGSW-UHFFFAOYSA-N 429.484 2.496 30 10 IEEE CC(C)C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C(=O)NCCN(C)C 511893264 MXPBBQJHUIZTOQ-MHJFOBGBSA-N 444.580 2.035 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)cc1 521607061 OAFWHQNVVUFMQH-RHSMWYFYSA-N 425.576 2.379 30 10 IEEE C=CCN(C(=O)[C@H](C)n1cnc(C#N)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 537303528 PMSKQXXPIPHNMQ-ZDUSSCGKSA-N 442.526 2.457 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCO2)CC1 549477163 TZQAEMXLYZBZQM-OAQYLSRUSA-N 438.576 2.111 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)cc1 552229877 ZVBNZGZFNZZZGM-IYARVYRRSA-N 427.530 2.427 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N3CCCCCC3)cc21 586314558 PUKMEPXCWPTFSA-XHDOVSQSSA-N 432.542 2.321 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 588152266 MDGXUZVXRWUTKL-DZGCQCFKSA-N 432.492 2.485 30 10 IEEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 590846721 VPJBTAJPZSAHIE-FQEVSTJZSA-N 438.507 2.409 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c(F)c1 609257131 UTAPGFCNZAOGTP-UHFFFAOYSA-N 439.472 2.399 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccccc2)cn1 730144905 UHSQZDOZAUVGRD-LJQANCHMSA-N 442.589 2.145 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1nnc(SCc2ccccc2)s1 732413838 CCXAOJAENAEHQZ-PFONDFGASA-N 430.515 2.478 30 10 IEEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732649769 RGSIMPUJOIHZSK-LJQANCHMSA-N 444.557 2.124 30 10 IEEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 732697231 WOFCLPSJRMNCCH-GOSISDBHSA-N 447.561 2.074 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 743679112 JXIYKFGRYFPVES-UHFFFAOYSA-N 430.501 2.431 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 744940205 BNFNDTGYYZAKGH-AITUJVMLSA-N 427.501 2.403 30 10 IEEE CCOc1cccc(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 760806344 VRFSADXGNORCBO-SFHVURJKSA-N 444.557 2.292 30 10 IEEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cc1 766419009 KEKDTENUHGFEDF-IBGZPJMESA-N 440.573 2.239 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(C(=O)OC(C)(C)C)c2)c1=O 777945241 CMLZNWJWNCFQST-UHFFFAOYSA-N 448.544 2.371 30 10 IEEE C=C(C)CNC(=S)/C(=C(/O)c1cccc(S(C)(=O)=O)c1)n1ccc(=[N+](C)C)cc1 789391803 BPTBFJNZYFCVFR-UHFFFAOYSA-O 432.591 2.300 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793469848 SMXYXFPFTYKBQU-UHFFFAOYSA-N 446.532 2.290 30 10 IEEE CCOC(=O)[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)C1C2CC3CC(C2)CC1C3 794174429 YZDPRYGRLNIICE-VJVRXZSRSA-N 443.544 2.271 30 10 IEEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)O[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)c2C1 803835996 AJOUCYSHPPWPRM-GEXQTFPDSA-N 443.548 2.058 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)c1 807929034 LYUCEZPDYIKDKP-LJQANCHMSA-N 430.574 2.341 30 10 IEEE Cn1nc2c(c1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CCCC2 812613789 YCBYYSSXBAQLMW-UHFFFAOYSA-N 443.573 2.214 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1 815784364 ZDKRLUMEBJGUIK-MRXNPFEDSA-N 426.521 2.343 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 916178630 GUANFGUBEJCHPC-UHFFFAOYSA-N 435.387 2.418 30 10 IEEE COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 919318051 AZYDEDITFQGXAV-HOTGVXAUSA-N 444.509 2.291 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(F)ccc3C)n[nH]2)cn1 1084165037 CQOVOZQREZCBCY-UHFFFAOYSA-N 432.485 2.272 30 10 IEEE CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(F)cc2OCC#N)CCS(=O)(=O)CC1 1127093534 HZWPYDHSQGKGIO-UHFFFAOYSA-N 426.466 2.203 30 10 IEEE COc1cc2c(cc1OC)CN(CC(=O)N[C@@H](C#N)c1cccc(OC)c1OC)CC2 1136685823 KSPOUSJAGLOSEP-SFHVURJKSA-N 425.485 2.460 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cc1 1141433633 UILJYLUNGVAXRO-UHFFFAOYSA-N 435.509 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C(=O)CC#N)CC2)(C(F)(F)F)CC1 1150001449 ZZUCGEYOYMYEDE-UHFFFAOYSA-N 432.443 2.150 30 10 IEEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)C2=O)cc1 1156977839 GKNKKQRRKYHSHH-XXBNENTESA-N 436.468 2.469 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C 1164601238 DAUBXOBHGQZXGT-DOTOQJQBSA-N 435.546 2.338 30 10 IEEE CS(=O)(=O)C[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccccc1 1211171515 FWVAFDGQPIYILO-MRXNPFEDSA-N 443.344 2.385 30 10 IEEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 1248513263 CHLAXAHFVNAKDT-RKDXNWHRSA-N 429.308 2.178 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)COc2cccc(Br)c2C#N)c1 1264841491 PELWZJDFSQQRRB-UHFFFAOYSA-N 426.270 2.460 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1286389989 USEJBVFHZXVQRL-HXUWFJFHSA-N 428.558 2.367 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(Sc2ccccc2)CC1 1286398046 RYOASNBUSIPGOU-QGZVFWFLSA-N 443.598 2.286 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(CCOC)CCC2)CC1 1286493700 GCBGWNHDWAIRQV-LJQANCHMSA-N 429.565 2.302 30 10 IEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N 1286503240 CIBLWTJIYDAZDG-HNNXBMFYSA-N 431.591 2.343 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(F)(F)C2)cc1 1286794769 QMYSFTIHYPVMAY-CQSZACIVSA-N 441.504 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1C 1286819650 QXKVYMMWEPSGQW-CQSZACIVSA-N 428.518 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286821635 RBWMENCMMRDTGF-AZUAARDMSA-N 448.589 2.018 30 10 IEEE C=CCSCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1286837504 YIVLHTXZIRIGFU-LQWHRVPQSA-N 438.594 2.234 30 10 IEEE C#CC[C@@H](COC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1287423004 DEYQDJRNRPIMKY-STQMWFEESA-N 449.392 2.208 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1300340332 XKJZKCNMJQRUDO-GBESFXJTSA-N 437.610 2.335 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1300499393 RCXNTVQBYASESU-LJQANCHMSA-N 427.574 2.493 30 10 IEEE COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CCC2 1300527863 CKBMRTOCQHNUSR-FQEVSTJZSA-N 440.521 2.496 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nnc(CC)s1 1300673703 VZXQFQCBLGQRLE-UHFFFAOYSA-N 436.545 2.065 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1300991858 WMEOCBHUVFIQIQ-LJQANCHMSA-N 445.589 2.100 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301222883 IOLNDARDDBUICR-HZPDHXFCSA-N 437.591 2.489 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301246114 PHCZNKVSFLJVQE-QGZVFWFLSA-N 443.504 2.196 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H]2[C@H](O)C(C)(C)[C@@H]21 1302381164 DLDYOZVLMCHOPE-DKKFBQAASA-N 433.574 2.148 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2c([nH]1)CCCC2 1304054815 ZBAAGXQZHPUNRD-UHFFFAOYSA-N 429.546 2.204 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)C1 1305166179 UNTPIIRQWHNZRK-LZICOFPGSA-N 436.520 2.134 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)C[C@H]1OC 1316333447 CALUMCKWTBJHCM-DWIQEWEKSA-N 441.532 2.394 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)c1C#N 1324451225 GUDRGMYHQUPWCS-WMZOPIPTSA-N 430.553 2.332 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1358932013 VRKWGYUTZDGEAW-HSZRJFAPSA-N 443.555 2.026 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)[C@H](C)CCC 1358976339 AIFJMIXFEKFPQF-QGZVFWFLSA-N 445.527 2.219 30 10 IEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1)c1ccccc1 1359138985 IWYZDKXRUVVYIX-LJQANCHMSA-N 429.546 2.091 30 10 IEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1359215464 BYWZIIFFBSPJBZ-WMZOPIPTSA-N 435.550 2.164 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1)C1CC1 1359251631 QUBDLNHNPNSIQA-GOSISDBHSA-N 443.573 2.042 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2C[C@H]1CO2)C(C)C 1359265245 BUDHHHRCJOLIQA-HAGHYFMRSA-N 428.581 2.295 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1359265917 OSHUFDNDNHGRLM-AZUAARDMSA-N 438.580 2.101 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)N2CCOCC2)C1 1359316163 JHFQEPNDFFDSJH-WIYYLYMNSA-N 427.549 2.456 30 10 IEEE CC(C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1359662330 XTWTYPNTFBCYLG-SJLPKXTDSA-N 443.552 2.101 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)C1 1360783636 OIYPCGVLWUEPAK-NRFANRHFSA-N 441.561 2.496 30 10 IEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1437073591 RERPLUNHKZTYDO-FQEVSTJZSA-N 440.521 2.349 30 10 IEEE CC(C)(C)Cc1nc(-c2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2)no1 1439797917 RHRNFYMTCWVTOX-HRAATJIYSA-N 428.514 2.336 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1456885760 QIVYQTHDVSLRLQ-INIZCTEOSA-N 430.505 2.271 30 10 IEEE N#Cc1ccc(CN2CCCN(C(=O)NCCc3nnc(S)n3C3CC3)CC2)cc1 1470656213 HNHZLJDXBXHSAO-UHFFFAOYSA-N 425.562 2.233 30 10 IEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1)N1CCOCC1 1494466742 GIHIZOZODBKFCM-ZWKOTPCHSA-N 442.589 2.391 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1502381142 DGANHXIJPSEHBK-UHFFFAOYSA-N 436.564 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCOC 1507533283 LUKDPHGECTXTIY-QGZVFWFLSA-N 438.532 2.357 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN(C)C(C)C 1507617485 URYHLERWIDVVGJ-HXUWFJFHSA-N 429.590 2.138 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CC1 1507723847 WMRABIGRCYVNCB-GOSISDBHSA-N 446.477 2.246 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1507728881 WBLGEDZLOSFSPD-VXKWHMMOSA-N 437.588 2.378 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSC(F)(F)F)CC1 1507732203 DDBJXZGNGIOCKH-GJZGRUSLSA-N 433.500 2.010 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1507739645 SMODFVATCLUIFX-BBTUJRGHSA-N 443.592 2.342 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 1507797995 FQEHHSVDXVUHOH-FXAWDEMLSA-N 427.553 2.142 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1 1507835600 GWAVOBCNCPVKHI-UHFFFAOYSA-N 430.528 2.475 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1507953210 FBYKBQLGKHMWQK-VQIMIIECSA-N 449.577 2.480 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1508061797 AROMEQYNCIKHBX-UHFFFAOYSA-N 428.512 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1508131504 NIJTZUAWZPHJRH-ONIAQPFYSA-N 435.594 2.032 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1508166508 AHAVYYKGHXSGIT-QGZVFWFLSA-N 438.623 2.072 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCSCC2)CCOC1 1509803741 JZASSUGEBYFFCY-NRFANRHFSA-N 434.610 2.107 30 10 IEEE C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1512313798 DPKBGABQXPXAIX-FTFAEBDGSA-N 428.537 2.181 30 10 IEEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1513257375 FZGXCNBXUHSXDB-FQEVSTJZSA-N 440.548 2.363 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC(C#N)CC1 1516811617 GNAIYWKZXTWGBT-UHFFFAOYSA-N 433.534 2.040 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F 1517105399 HDNUZIGHZIHPBR-UHFFFAOYSA-N 443.433 2.450 30 10 IEEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)CC2(C#N)CCOCC2)CC1 1520414171 DWCWBQPMPPSCAH-UHFFFAOYSA-N 434.581 2.090 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccn2C(F)F)CCO1 1521121250 IJJQMGYKTNWPKO-CQSZACIVSA-N 430.375 2.222 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CCO1 1521128623 FPRZOLQFUIRCDX-HOCLYGCPSA-N 434.422 2.219 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)C1=O 1530002012 XNNUAMFFLBQNMS-CQSZACIVSA-N 426.326 2.003 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@H]1COCCO1 1539176300 LNAVFJYLSVBYEG-SFHVURJKSA-N 433.553 2.268 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CS(C)(=O)=O)c1 1539263528 KQDUGQSRVFGPHM-FQEVSTJZSA-N 426.542 2.185 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1539430641 KINFWIHWYQEIAX-GMAHTHKFSA-N 436.604 2.448 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(F)c(Cl)c2)CC1 1539444816 UVITYGWFVLUXPX-UHFFFAOYSA-N 443.914 2.305 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1539466844 HZFCDJDKBYKYNH-KDLAUNOPSA-N 427.593 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccsc2)N(C)C)CC1 1539490660 YXFMHMSMEZETNJ-LJQANCHMSA-N 444.605 2.145 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C#N)cc2C1 1539778275 PMYYTUNZHAAIIV-OAHLLOKOSA-N 440.525 2.351 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539946918 GMMSEHCJHOBHLS-IBGZPJMESA-N 427.553 2.281 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1540200643 GCQMPYNYOLYEEG-INIZCTEOSA-N 438.525 2.015 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(C)C)C1 1540875823 YQJMBPXDFVIPSR-LJQANCHMSA-N 429.521 2.029 30 10 IEEE Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543312282 BSWIBVYPWSTWBK-VXPUYCOJSA-N 441.923 2.093 30 10 IEEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCC(=O)N1CCOCC1 1546499376 VOYUUXFHRIIQAE-NRFANRHFSA-N 436.560 2.420 30 10 IEEE Cn1nccc1C(=O)N1CC[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@]2(CO)C1 1548365772 OVYYPXNVCSHLDF-MGPUTAFESA-N 433.434 2.272 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1554531973 VPXYUOYFSXZCKI-UHFFFAOYSA-N 438.532 2.368 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC[C@H]1C 1555189441 WKMYBCMNSWCSQJ-OXQOHEQNSA-N 426.521 2.116 30 10 IEEE COCCCn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555499543 UZRICOIQNDMVIO-UHFFFAOYSA-N 434.500 2.471 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CC1 1555608584 QAYJFHBFOUZXMC-UHFFFAOYSA-N 449.515 2.141 30 10 IEEE COCCOCc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1555710833 UCFPGLUUKMEZNX-JOCHJYFZSA-N 448.527 2.204 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)c1 1557571983 BKRSKBDURZUGLT-LJQANCHMSA-N 449.573 2.316 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1586949977 GHSMPQNZLGIZEZ-UHFFFAOYSA-N 440.475 2.313 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1587561734 HUJOBDCIDFPWKG-HKUYNNGSSA-N 430.574 2.218 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](CC)N1CCCC1 1587921778 JBMMZWMEFKRDCN-GOSISDBHSA-N 443.621 2.490 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1588055818 ZWFFDUVUVPBWSL-RTWAWAEBSA-N 442.585 2.430 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588065329 WWNGPPIPMFVGRM-RLLQIKCJSA-N 434.606 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1CCS(=O)(=O)CC1 1588238488 XTYCSNYWFVGHAY-UHFFFAOYSA-N 446.523 2.435 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnnn1C 1588574355 FQPLAYUPPIXFHE-OAHLLOKOSA-N 429.912 2.334 30 10 IEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCN(C)C2)CC1 1594142461 CFTNLQVHMUWCCP-IXFSTUDKSA-N 446.596 2.272 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1595297319 OTHZAGINWPNKAK-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE N#Cc1ccccc1Oc1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1Cl 1595390274 YDNDXUGEZWYTHB-QFIPXVFZSA-N 441.871 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 1595721811 GRVOORXRBQMMFO-RTBURBONSA-N 446.573 2.213 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1596250950 XVTBLJGCLQBWLF-MRXNPFEDSA-N 445.483 2.299 30 10 IEEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1 1613787985 FBVOOSPLVDEMEU-UGKGYDQZSA-N 437.592 2.262 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CN3CCN(c4ccc(C#N)cn4)CC3)C2)C1 1615233582 KDNRGLTVJYWXNB-XXBNENTESA-N 427.549 2.491 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCCS1 1620018791 HPFHUFJDAKMHBS-NEWSRXKRSA-N 434.610 2.464 30 10 IEEE CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 1620575107 JMCAPTVGNKITKA-AWEZNQCLSA-N 427.452 2.180 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1622264961 WQVLTQRPPRJRGB-NHYWBVRUSA-N 430.313 2.409 30 10 IEEE Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1 1624131013 WJYKWIQAPMKTMR-UHFFFAOYSA-N 443.500 2.420 30 10 IEEE CC(C)(C)c1cc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n(-c2ccc(C#N)cc2)n1 1624687314 BMTSXWRFEGGGCH-MRXNPFEDSA-N 430.534 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1624793961 RVXRCDPCJAKBMA-QFIPXVFZSA-N 432.496 2.108 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O 1627960715 XMLVEUSJMFYTSO-RTBURBONSA-N 429.517 2.219 30 10 IEEE Cc1ccc(CN2CC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1632588378 XWIGHRDWFBQBHO-IBGZPJMESA-N 440.569 2.204 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCCSC[C@H]1c1ccccc1OC)c1cc[nH]n1 1644932209 AIHFYNDIHBSKSX-KRWDZBQOSA-N 446.529 2.409 30 10 IEEE N#Cc1ccc(C2(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CCOCC2)cc1 1648734037 GACXQVAISBGXOB-HBFSDRIKSA-N 428.558 2.406 30 10 IEEE CN(CCNC(=O)C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1)Cc1ccccc1 1652611186 XBHCVNLWBFCGNQ-QHCPKHFHSA-N 442.604 2.018 30 10 IEEE COc1cc([C@H](C)NCC#CCN2C(=O)c3ccccc3C2=O)ccc1S(C)(=O)=O 1655127414 MDEYOLCXXRBOBT-HNNXBMFYSA-N 426.494 2.049 30 10 IEEE NC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@H]1C(N)=O 1662958751 HMVQGALDUUDFHR-NXEZZACHSA-N 444.307 2.027 30 10 IEEE COC(=O)CC(C)(C)CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1676102593 YLLZETDCJSHJKU-UHFFFAOYSA-N 426.521 2.456 30 10 IEEE C=C1CCN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1684481150 DCMMPNXMIMYSLX-UHFFFAOYSA-N 437.562 2.466 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1689825632 ABJYTXOLRKLABP-KGLIPLIRSA-N 441.504 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1690023916 MJXBOVJVJMQINP-VWLOTQADSA-N 431.540 2.156 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 1690155449 KDYPOKXGDBULFV-BBWFWOEESA-N 425.624 2.271 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1690183103 MDRPJNCDBRNXQA-LJQANCHMSA-N 443.548 2.484 30 10 IEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690231544 FYOPXIFQCKCTAN-OAHLLOKOSA-N 446.415 2.437 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(c2ccnn2C)CC1 1690672851 FYPOCILRLVREDY-UHFFFAOYSA-N 437.523 2.428 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C)[C@@H]1C 1690674326 XDNJIVUXIMLHSD-HOTGVXAUSA-N 425.562 2.149 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN(C)CC(F)(F)F)CCOC1 1690995685 LWFPKYGYCVWTER-YJBOKZPZSA-N 432.491 2.409 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1noc(CC)n1 1705600064 KPEKHABNOMPNEB-UHFFFAOYSA-N 428.500 2.168 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1705621994 UJWPSXVSMVMMCI-XXBNENTESA-N 438.532 2.217 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCCCC1 1705626744 HSEOYRGMUKNFFO-UHFFFAOYSA-N 436.516 2.375 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1705628536 KCLKUBDFGKHPIL-OALUTQOASA-N 445.589 2.003 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2nccs2)CC1 1705635164 SHQNQZXCJTVCFU-GCJKJVERSA-N 444.605 2.334 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705660639 AULOMFUQJNVWLH-HXUWFJFHSA-N 446.665 2.366 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1705664480 QEXGXIYUVYQOCT-DENIHFKCSA-N 444.605 2.280 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705697343 LGCVUKSMUOLQPP-YRIDSSQKSA-N 447.580 2.040 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705899095 HXRGGIJWIKUQAJ-KGLIPLIRSA-N 439.969 2.159 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705908636 SQYVQKKJODWDRO-AEFFLSMTSA-N 429.496 2.304 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H]1C 1706072622 GEASKRWULKFCTD-DLBZAZTESA-N 444.609 2.318 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1706078167 UPEIOCUHSKSUTL-AEFFLSMTSA-N 435.507 2.343 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1706934659 DHOZFWUTVGGYFP-CBGDNZLLSA-N 438.523 2.268 30 10 IEEE CCN1CCC(CCn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1710225108 OBVWFFVVSLXJCW-IBGZPJMESA-N 429.594 2.485 30 10 IEEE COCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)cc1 1712579123 WBBKWGJKCXLSDQ-UHFFFAOYSA-N 426.521 2.230 30 10 IEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1712699682 DUKDDDKTPDNBFJ-LJQANCHMSA-N 441.513 2.422 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1712879908 QRUUYLQRUOGESG-HTXNQAPBSA-N 439.426 2.189 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1722282394 YSDWYXKPTJQKJA-UZUQRXQVSA-N 443.523 2.266 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722428825 KSHREWGPQBYRJF-ROUUACIJSA-N 435.569 2.419 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722481803 AYACMMAVZUOKDV-GJZGRUSLSA-N 447.399 2.484 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1722503908 DUYKMXOPXACIHM-SBHAEUEKSA-N 426.565 2.478 30 10 IEEE C=CC[C@H](Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1722597151 QVVODQOLLDVGFT-XXBNENTESA-N 425.533 2.226 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1727084895 GPAHCAUWFANOLI-GAJHUEQPSA-N 439.564 2.161 30 10 IEEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1728737175 GDWHNSLFWSPFLS-WOJBJXKFSA-N 437.548 2.482 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2(C)C)CCO1 1729681703 LKDSVOAGQROQHR-MSOLQXFVSA-N 440.573 2.300 30 10 IEEE COC1(C(F)(F)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1729908250 SCJISGXQNJHRGY-PBHICJAKSA-N 429.443 2.055 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCCS(C)(=O)=O)c1 1740563104 UMJQUCCDRODMMD-INIZCTEOSA-N 431.562 2.283 30 10 IEEE C#CCN(c1nnc(CC)n1CC[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740623928 AEFWPXUMFHCFPN-MSOLQXFVSA-N 428.558 2.424 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC1(O)CC(OCC)C1 1740676591 HWUBAWPYDUGALW-QRGRWYIGSA-N 428.508 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(N)=O)CCOCC1 1740681586 QYBDUYYMGJARKZ-UHFFFAOYSA-N 449.914 2.106 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740847852 VZOVVMGKXVORTH-UHFFFAOYSA-N 435.536 2.463 30 10 IEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740875662 HOSQOYYSOWJQCJ-VQTJNVASSA-N 430.597 2.271 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1740923532 OGNNFIXHCGDJLL-QGZVFWFLSA-N 437.591 2.275 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740955025 VWJJQDJQWCMKHQ-MSOLQXFVSA-N 426.477 2.303 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740981616 WNYAYSCXWBDCBC-DPPKGPFUSA-N 426.521 2.243 30 10 IEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1741283504 SBXBDSIMXAKDJQ-UYAOXDASSA-N 449.559 2.084 30 10 IEEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCOCCS(C)(=O)=O 1744657256 NUVFRCSPANYHOC-HXUWFJFHSA-N 445.589 2.232 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)SC 1748831273 JFZRWNORUMUQKE-MRXNPFEDSA-N 431.587 2.020 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCOC1 1748889830 HBRIITHICLUUQF-HXUWFJFHSA-N 433.560 2.342 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC2CCCCC2)CC1 1748979759 LMPIAVBSMMJNMW-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 1749037866 HHUCQTGRUVQKSP-QGZVFWFLSA-N 434.587 2.192 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1749053143 BPTUBEHTYWDPPA-ZBQZNYHESA-N 436.607 2.449 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)OC)CC1 1749678113 WKLZECHBGMDMNR-UHFFFAOYSA-N 441.532 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H](C)C1 1749741048 NUZJUYMDHDNICS-MHORFTMASA-N 426.583 2.085 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnc3n2CCCCC3)CCOC1 1750060759 JNBHONUDVBQVRE-VGSWGCGISA-N 442.568 2.281 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C1 1750197339 FIOZSAMRYSEWMU-ROUUACIJSA-N 447.586 2.248 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCC2)CCN1S(C)(=O)=O 1750350217 BPWWWYIIZFAZOW-INIZCTEOSA-N 428.562 2.477 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCCO)CCO1 1750385874 CIVBDVCEXRHFBL-CQSZACIVSA-N 426.304 2.380 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)C1 1751276987 HGRDIJMUUOOKQL-NRFANRHFSA-N 441.561 2.029 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760182693 LFYBFLGTFZGYPZ-IAGOWNOFSA-N 433.578 2.098 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC 1760220016 VIZYYURTHCIITR-SFHVURJKSA-N 431.537 2.086 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccnc(OC2CCOCC2)c1 1760253864 XUVOLTJZPLKRCN-HXUWFJFHSA-N 441.532 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC)N2CCCC2)CC1 1760272068 XEYWWJNDRYVJAF-QFIPXVFZSA-N 449.603 2.104 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1760272771 VJVZBDPKSADNGH-IBGZPJMESA-N 440.617 2.493 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1760289407 NNYNTIKAIYLTSM-JOCHJYFZSA-N 443.573 2.113 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760566060 KDQSRWGHXWQYNL-SJORKVTESA-N 449.602 2.152 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1760695256 DPDZJEVZCLPNIX-VXGBXAGGSA-N 425.502 2.072 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1761363333 LZMJLZJYZQJODH-GOEBONIOSA-N 445.545 2.474 30 10 IEEE CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1762419280 RJESEHJDCXOTIA-SFHVURJKSA-N 429.594 2.362 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1765353277 QSUMFEHIFHFSBM-IBGZPJMESA-N 447.547 2.217 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1766249440 GNEFDNQLWAAKRU-SFHVURJKSA-N 432.532 2.145 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)C[C@@H]1O 1770620082 CXBIYVOPCQLSEU-LMNJBCLMSA-N 425.533 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)ON3C(=O)c4ccccc4C3=O)nn2)C1 1772789137 QCHFUVLZABTFLO-ZDUSSCGKSA-N 441.444 2.218 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccc(C#N)cc1 1849215017 NIEMRAULAUVHGU-RTWAWAEBSA-N 440.569 2.033 30 10 IEEE COc1cnc(C(F)(F)F)nc1N1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3C)CC1 1852095108 FLDOJLHWQAVIAP-UHFFFAOYSA-N 445.405 2.225 30 10 IEEE CN1CCC(N2C[C@H](C(=O)Nc3c(F)cc(C#N)c(F)c3Br)CC2=O)CC1 1852101155 PRYNEZOSMGGGAN-LLVKDONJSA-N 441.276 2.480 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cnn(-c3ccccc3)n2)cc1 1852113492 HNTYINIKUMJAHZ-OAQYLSRUSA-N 433.468 2.076 30 10 IEEE CCOc1ccccc1-n1nnc(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)c1C 1853017717 XDMBVDLSMUTLHW-UHFFFAOYSA-N 445.423 2.459 30 10 IEEE Cc1c(CN(CCS(=O)(=O)N2CCCCC2)C(=O)c2cccc(C#N)c2)cnn1C 1853524394 JYKJRFGYZINPMO-UHFFFAOYSA-N 429.546 2.058 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncnc1 1854527563 OVWNLLLSAZJHBO-KRWDZBQOSA-N 426.498 2.325 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccccc2Cl)C1 1858335975 QSNVLSDGYZZHEW-MRXNPFEDSA-N 439.946 2.094 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(C(=O)O)cc2)c1 1862702208 XEDXTLILFXQMMS-IBGZPJMESA-N 438.436 2.108 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@H](C)O)cc1O 1862754985 USHIFRDOIHNRKR-VOJFVSQTSA-N 428.397 2.268 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871554130 YUAXVSRZAVYENA-UHFFFAOYSA-N 432.370 2.373 30 10 IEEE COc1ccc(-c2nc([C@@H](C#N)C(=O)CN3CCN(C(C)=O)CC3)sc2C)c(OC)c1 1872800334 QTAJQALDIRRRSD-SFHVURJKSA-N 442.541 2.476 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1F 1891048172 LFHUHQUQMUSOKV-UHFFFAOYSA-N 446.421 2.323 30 10 IEEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1892026237 GYDBJRHIEDEGMW-UHFFFAOYSA-N 445.501 2.407 30 10 IEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900467803 UZJXXVSTFMXQNH-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060637219 INZFBCWGZVFRCA-YYIAUSFCSA-N 437.390 2.382 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060638396 WNMQSAJIICZOKS-IAGOWNOFSA-N 432.326 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@H]2C1 2085660850 NKJFLBKYAMZZLM-GJZGRUSLSA-N 429.326 2.432 30 10 IEEE CN(C(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124543134 NPCYVOIBUQFCHY-UHFFFAOYSA-N 445.369 2.158 30 10 IEEE C[C@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243685261 QKVVNCPULXMJPO-GFCCVEGCSA-N 425.360 2.362 30 10 IEEE CC1(C)OB(c2cccc(S(=O)(=O)N(Cc3ccccc3)C3CNC3)c2)OC1(C)C 2247881731 CZEVPHFGBNLIDE-UHFFFAOYSA-N 428.363 2.149 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248401712 MWYKTLRDUKSGMK-ZDUSSCGKSA-N 437.371 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254797557 ZDWMAOOESROMTH-DZGCQCFKSA-N 437.321 2.160 30 10 IEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255537080 QZPYLLZOVPEIKO-HNNXBMFYSA-N 431.342 2.462 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255651556 JWFLMWPFWFHIBP-GFCCVEGCSA-N 430.232 2.110 30 10 IEEE COC(=O)[C@H](CC(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256595612 NXEFQBVMVOIUSL-GJZGRUSLSA-N 438.330 2.279 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256640628 PWTNBLVPKQYYPB-SJORKVTESA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267000865 CZRNHPXNHJUZNE-QAPCUYQASA-N 443.353 2.462 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)COCc1ccccc1 2267227136 RAPOYURUJCLEHA-FQEVSTJZSA-N 442.365 2.457 30 10 IEEE Cc1nn(C)c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508633 IACCRHQXIFXKGH-HNNXBMFYSA-N 448.373 2.157 30 10 IEEE C=CC[C@@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286030878 HDBKNVNSALILNY-IEBWSBKVSA-N 438.546 2.462 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303617375 JRNJZZXUKFTVKI-INIZCTEOSA-N 432.351 2.140 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315696766 ISWBJCIMACOYCQ-NWANDNLSSA-N 449.382 2.428 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc(OC)c1 2331273456 IBGCKRYZRJBMDZ-UHFFFAOYSA-N 429.502 2.359 30 10 IEEE CS(=O)(=O)C1(C#C[C@@H](NN)c2scc(Br)c2Br)CC1 2342090096 LICGAICFEMSXEP-MRVPVSSYSA-N 428.171 2.358 30 10 IEEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2365210370 YOLHJOMGYLXGTA-XQBPLPMBSA-N 436.574 2.001 30 10 IEEE COC(=O)c1ccccc1NC(=O)COC(=O)CO/N=C(/C)c1ccc2c(c1)OCO2 15934915 VLWJIRPSWLIDCV-QRVIBDJDSA-N 428.397 2.124 30 10 IEEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n2N)cc1 20918362 SAZSNXOKMSFHNL-FSJBWODESA-N 444.609 2.264 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 29991009 XLAXXDSNWQAUSJ-OAHLLOKOSA-N 438.575 2.488 30 10 IEEE C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C2=C1CN(CC(=O)NCc1ccccn1)C2=O 35969728 SOZUPJPDKKFQLP-QFIPXVFZSA-N 431.496 2.055 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)CC1 45606731 PKTURSDXKIADKJ-UHFFFAOYSA-N 441.532 2.211 30 10 IEEE N#CCC(=O)Nc1ccccc1CNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 219699804 LEWILXQDFHJQID-UHFFFAOYSA-N 449.423 2.140 30 10 IEEE C#CCN1C(=O)[C@]2(N[C@H](CC(C)C)[C@@H]3C(=O)N(c4nccs4)C(=O)[C@@H]32)c2ccccc21 253579658 ZXAFZSVPNLISFZ-SYKKWBAMSA-N 434.521 2.142 30 10 IEEE CCOC(=O)CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C 432003293 OWFGRGBQNYGWIK-UHFFFAOYSA-N 443.504 2.118 30 10 IEEE C=CCOC[C@@H](NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)C(=O)OC 435950644 RXSBKTFXMOGOTD-OAHLLOKOSA-N 449.305 2.381 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 438761773 SELBDZIXVTXOAK-CYBMUJFWSA-N 428.923 2.185 30 10 IEEE COc1cccc(-c2cc(NC(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)n(C)n2)c1 442243501 QJXWUMDENIGVTF-UHFFFAOYSA-N 431.452 2.196 30 10 IEEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccncc4)cc3)CC2)n1 445756002 JMGFUGDDAXPLLP-UHFFFAOYSA-N 448.508 2.111 30 10 IEEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(n2cc(C(N)=O)nn2)C1 467371257 UJULYQBPWXBIDR-UHFFFAOYSA-N 431.456 2.225 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)CC1 474420027 YZNCJPNBOJPEEK-UHFFFAOYSA-N 427.451 2.256 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(F)c1 481026936 VBJMUGBXCNCAQD-UHFFFAOYSA-N 440.500 2.395 30 10 IEEE N#CC1(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CCN(Cc2ccccc2)CC1 482698796 WOGGPKGYYSBLEZ-UHFFFAOYSA-N 431.496 2.027 30 10 IEEE N#Cc1ccc(OCCNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 485405995 IACGLQXYSXZIGW-INIZCTEOSA-N 429.502 2.192 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncnc3sc(C)cc23)CC1 508829397 YZCCSMPMIUBHOQ-INIZCTEOSA-N 427.534 2.192 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508869168 ZAVGHARWAGSBLD-QGZVFWFLSA-N 430.528 2.344 30 10 IEEE COc1cccc(-c2nc(=NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)s[nH]2)c1 541762829 LJEMOYUMZHYHBB-CYBMUJFWSA-N 436.501 2.040 30 10 IEEE N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)n2)cc1 542714086 PCZXTELDPVZCKA-UHFFFAOYSA-N 448.508 2.224 30 10 IEEE CCOc1cccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(C#N)s3)c2=O)n1 543153281 FIPKLLMHECFSGM-UHFFFAOYSA-N 437.546 2.273 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3COc4ccc(F)cc4C3)CC2)cc1 564540722 KEENFAIQBSLIDE-IBGZPJMESA-N 443.500 2.218 30 10 IEEE N#Cc1ccc(NCC2(O)Cc3ccccc3C2)nc1NCC1(O)Cc2ccccc2C1 567314542 RQQLWDJORKTXAS-UHFFFAOYSA-N 426.520 2.837 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N(CCC)CCC)nc1C 586300884 BTBKTTTZXLUXJL-NDEPHWFRSA-N 429.564 2.130 30 10 IEEE Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1S(=O)(=O)NCC#N 609912600 CJWSRUFJAFAMMC-SFHVURJKSA-N 426.542 2.143 30 10 IEEE Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 732494826 OFAKAWFOVRCHIX-PZJWPPBQSA-N 430.464 2.118 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c(C)c1 732652126 NWKYKLSLPJGRQZ-OAQYLSRUSA-N 444.601 2.211 30 10 IEEE CCN1CCC(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742098610 UTBBCQZDWAIUSS-IBGZPJMESA-N 434.606 2.378 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 743908944 MJFRQOCZGQNAJQ-BEFAXECRSA-N 441.532 2.410 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 748410778 QKMGYBSLFWSCMD-MOPGFXCFSA-N 434.514 2.091 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)c2cc(C#N)cn2C)ccc1C 751728543 FXQQEYWCLKJWMT-HNNXBMFYSA-N 446.529 2.420 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1COc2ccc(F)cc2C1 752896821 XQXZCQBWNJGGEI-AEFFLSMTSA-N 445.516 2.399 30 10 IEEE Cc1cc(C)cc(OCc2noc(COC(=O)CCN/C(O)=C3\N=CC=CC3=O)n2)c1 754258224 DGUZUJCGNUMFEG-QZQOTICOSA-N 426.429 2.225 30 10 IEEE N#Cc1cccc(CC(=O)OCC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c1 770033559 QZSCFPJSRAGJNJ-IBGZPJMESA-N 428.441 2.127 30 10 IEEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccc(OC)cc3)c2=O)cn1 772276510 DEKCLZKRQHFEIA-UHFFFAOYSA-N 446.532 2.136 30 10 IEEE C#CCN(C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 774235380 RVHUOEBMYXQWDO-UKRRQHHQSA-N 429.336 2.048 30 10 IEEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC(C)(C)O)C1=O 774284139 LKFOLVDXUHWBAA-SFHVURJKSA-N 445.589 2.109 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCOC[C@H]2c2noc(COC)n2)ccc1OC 780826898 DSJUAJWWKQMWHB-HOTGVXAUSA-N 445.476 2.189 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCCOCC)c2=O)cn1 781650017 UTMAEXYVTGHYOG-UHFFFAOYSA-N 442.585 2.205 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 788571422 YITBPFASKBIOEL-ROUUACIJSA-N 426.521 2.205 30 10 IEEE Cn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)c(C(C)(C)C)n1 789968015 NAHLJRIPNYBDDE-HNNXBMFYSA-N 428.566 2.338 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N(C)C3CCN(c4cnccn4)CC3)ccc2c1=O 790214595 RKBWTABVQOKBOV-UHFFFAOYSA-N 436.541 2.402 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCO2)c1 802695205 TXGPZRYOMAQIQQ-RTBURBONSA-N 438.532 2.318 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)c(F)c2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812192866 RQQDCFLYJCMHHH-SFHVURJKSA-N 434.537 2.446 30 10 IEEE N#Cc1ccc(NCCNC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1 916521415 GBGATBVAQSZFNQ-UHFFFAOYSA-N 428.924 2.425 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 1130627247 SDTHYXWJGIWSIX-INIZCTEOSA-N 440.587 2.261 30 10 IEEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)c(Br)c1 1134429185 RDZSBXMEGHBPBW-PLQHRBFRSA-N 429.311 2.479 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)C1 1154959648 VHCMUVNWMCYRKW-YZGWKJHDSA-N 447.601 2.380 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1 1196790321 SSRYWYINNDOFJU-DHLKQENFSA-N 446.530 2.487 30 10 IEEE C#CCOc1ccc(CNC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 1228783433 HZLMUBTVBLJVAN-UHFFFAOYSA-N 425.460 2.271 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286430599 PBPVFSVZHDWDSF-APWZRJJASA-N 433.512 2.072 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1286452646 SAZTUWYAESLGOH-MRXNPFEDSA-N 428.562 2.462 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1286472111 VFDJXYALNCPNOY-FQEVSTJZSA-N 436.560 2.045 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(OC)c2)CC1 1286473319 QGNVTIVMCVUIDA-DEOSSOPVSA-N 439.560 2.131 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ccc(OC)cc2)CC1 1286490101 LKHXBHMUJCYZCA-UHFFFAOYSA-N 448.527 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCCN2Cc2ccccc2)CC1 1286491406 QMRHDNCAWWOWDO-JOCHJYFZSA-N 434.588 2.471 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286554041 WNGDDOBMEYEXLN-GHTZIAJQSA-N 442.564 2.038 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1286701214 WSCGEBMUXZPREG-LJQANCHMSA-N 440.573 2.345 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCOC1 1286780625 XVUDPDKLZLNEJW-CQSZACIVSA-N 434.338 2.483 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1286796616 OBDMEYHDYSFYOP-ROUUACIJSA-N 432.546 2.018 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1286798415 HMRFTTQJGJUUFX-FUHWJXTLSA-N 429.546 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@@]3(CCOC3)O2)C1 1286799408 VSLASJQPUKNFOM-PWHSHALESA-N 447.580 2.316 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1286819413 JTBXSLGJNJQFBN-UHOSZYNNSA-N 443.573 2.212 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCN1CCC[C@@H](C)C1 1290865195 MTIHFHCTUBESDU-RTBURBONSA-N 437.596 2.475 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC(F)F 1300282050 GBHVVPXLKLMKBQ-CQSZACIVSA-N 441.504 2.283 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)nn(C)c1C 1300299922 VBNRHIQGGLKULU-CQSZACIVSA-N 440.577 2.095 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CCCO 1300613883 SWONOGZHWIGCJS-LJQANCHMSA-N 425.533 2.023 30 10 IEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1300684549 YPCCPTLSFDPFTG-KKSFZXQISA-N 445.545 2.113 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300883742 FIYZCXHTGHDNMK-QRVBRYPASA-N 446.596 2.393 30 10 IEEE COc1ncc(Br)cc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1300940963 IVCPRTOLBXITDW-CQSZACIVSA-N 429.274 2.394 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCS2)CC1 1301086700 NISJRDNFHPLFLS-LPHOPBHVSA-N 441.623 2.053 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1301819363 UYYUHIUUAHWZIG-RTWAWAEBSA-N 438.532 2.117 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)C1 1302172796 GLCXQWDBYSURRV-IBGZPJMESA-N 437.504 2.383 30 10 IEEE CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1305284733 GBOBIZJMBFEIHL-QGZVFWFLSA-N 438.598 2.177 30 10 IEEE COC(=O)C1CC2(C1)CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]2C(=O)OC(C)(C)C 1308064951 KNAJZQIKYKFPII-UUDZDLEASA-N 435.565 2.272 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)C1 1312469331 KQFWPYNCLJRNNJ-VDVULAQNSA-N 432.496 2.255 30 10 IEEE CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1314185216 FCTHKPKOVBCKGY-KKSFZXQISA-N 446.577 2.465 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358965418 UYUDPRFYSAQNBJ-FQEVSTJZSA-N 427.574 2.471 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OC1CCCC1 1358967117 DQMFSMGBQUUSAA-UHFFFAOYSA-N 432.528 2.352 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN(C(C)=O)C1 1359026940 PIKLAIQVJGMEMC-IBGZPJMESA-N 443.523 2.341 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359059385 LTZNEVBUURRCCD-UHFFFAOYSA-N 426.590 2.325 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359331945 LBNRWYFPDHJJQU-MOPGFXCFSA-N 437.610 2.185 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359456011 KPRWJEPUICPVTI-LJQANCHMSA-N 427.940 2.301 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCO[C@@H](C)C2)CCOC1 1360347295 GFEOERDTHUSXII-JZJXAQOMSA-N 433.553 2.253 30 10 IEEE C#CCC[C@H](O)CNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1448348423 KQAJEKVSISAZAU-AWEZNQCLSA-N 441.479 2.292 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1456063366 MMPOBSZYMKMIQA-QGZVFWFLSA-N 428.514 2.229 30 10 IEEE COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)CN(C)CCc1cccc(C#N)c1 1473731948 KNUPRLXDCZTXFX-OAQYLSRUSA-N 434.496 2.445 30 10 IEEE CC1CCC(N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1493471687 YPULOVSCYLYTHK-VZCXRCSSSA-N 436.520 2.276 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507630081 ZJQWYLFLEBPUNY-NJAFHUGGSA-N 432.546 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CC)CC1 1507735240 PIJOLMJXPRJURU-JOCHJYFZSA-N 445.571 2.267 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507748318 PAGIZLHFPLSDSJ-UHFFFAOYSA-N 433.603 2.220 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507935736 UKGMCBFFKPSUBU-QGZVFWFLSA-N 447.561 2.092 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(Cl)cc1 1510074764 AOGVTYAKMSTMMU-MAUKXSAKSA-N 444.923 2.250 30 10 IEEE COCCOCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1519391460 DXZGHHSJJUFCQF-CTNGQTDRSA-N 435.532 2.475 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1C[C@H](C)O[C@H](C)C1 1519404552 NALVFAQKILVTDP-KNJMJIDISA-N 434.585 2.240 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539051756 HCFNRTKXBWRFKV-SJLPKXTDSA-N 427.461 2.017 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@@](=O)C(C)(C)C 1539251778 PLPPBWWPPCGRBY-SSEXGKCCSA-N 426.542 2.336 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[C@H]2CCOC2)CC1 1539461195 BELIDKLDQZNTGM-IBGZPJMESA-N 425.533 2.048 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(C)(=O)=O 1539635969 IPBUTJRPFMADKT-MAUKXSAKSA-N 439.607 2.096 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccncc1 1540054541 QSQKHQFFWVKTSX-UHFFFAOYSA-N 426.546 2.455 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1541129585 FUTWZYVRMHOHCC-LSDHHAIUSA-N 428.518 2.035 30 10 IEEE CC(C)C(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1541279501 UOCOUDTVQSYCIO-SFHVURJKSA-N 446.939 2.402 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccsc2)cs1 1542925629 BRDNRZANXLAWRL-VQIMIIECSA-N 430.559 2.332 30 10 IEEE CCOCn1nc(C)c(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1C 1543520555 DSCUZSKIZRIRPF-UHFFFAOYSA-N 435.532 2.425 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1545494649 GMTOYTDBROHODF-JSJMYKNQSA-N 438.536 2.393 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)C1CCCCC1 1555753197 KOOYDSJIJAKOFP-JBACZVJFSA-N 446.596 2.385 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCO[C@H](c4ccnn4C)C3)ccc2c1=O 1556636453 FNSPUAIPMRHACC-KSSFIOAISA-N 425.514 2.255 30 10 IEEE C=CCC1(O)CN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1558318200 XNMGOWRCMQHLSU-UHFFFAOYSA-N 426.844 2.177 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643205 PJSDERHKYWHRKC-GRXQJBFDSA-N 439.578 2.247 30 10 IEEE CCS(=O)(=O)c1ccc2oc(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)nc2c1 1563391383 CJCFWVAKQZFTMM-UHFFFAOYSA-N 440.485 2.242 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1570675145 RADXUQADBWOWFF-QXMHVHEDSA-N 431.470 2.079 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1587561059 ALDKEALGKCEWEQ-OLZOCXBDSA-N 425.555 2.256 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1588074000 GVPOMFDZVATPCV-YYWYGQEZSA-N 438.569 2.354 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1588864298 CCRLZBCRTFLWGW-NRFANRHFSA-N 447.587 2.216 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1589097546 SIVAFOVSXUTAHW-JOCHJYFZSA-N 428.558 2.262 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1593763999 UDUSYNPTODAOFJ-GOSISDBHSA-N 441.532 2.269 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1594569077 XXDWGKXIBAGCAJ-OLZOCXBDSA-N 425.477 2.012 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NC2CCCCC2)C1 1595679712 AGRWFPQTOUDUHV-XXBNENTESA-N 447.580 2.160 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1597416826 YDBJXDYDCKEYBE-UHFFFAOYSA-N 446.515 2.180 30 10 IEEE CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1613087546 SPAIUUALCXQCFI-WEMPKCCASA-N 443.573 2.085 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1614226456 VAGPENDMLRIUOZ-DSGGYQJVSA-N 440.479 2.226 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CCO1 1614441083 GQDNLORMRQGFAO-IBGZPJMESA-N 446.577 2.150 30 10 IEEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1622727400 GWPJAQMJFGHPIU-UHFFFAOYSA-N 439.582 2.098 30 10 IEEE COC(=O)c1cn(C2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)nn1 1624849891 FXNVZTZIYCQBLP-UHFFFAOYSA-N 432.278 2.105 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)c3c(Br)nc4n3CCOC4)CC2)c1 1628142529 VXQOOUGSPFQYAS-UHFFFAOYSA-N 444.333 2.442 30 10 IEEE C#CCN(CC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)OC(C)(C)C 1630405846 ULFZLXWUCSTMSQ-INIZCTEOSA-N 429.517 2.392 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 1630762436 RKDAWMGNOTYBFT-QGZVFWFLSA-N 442.516 2.421 30 10 IEEE N#Cc1cc(C(=O)N2CCC[C@@H](n3nncc3I)C2)ccc1F 1633071840 CZQPZJTXCRKPEU-GFCCVEGCSA-N 425.205 2.371 30 10 IEEE C#CC[C@]1(C(=O)N2CCC([C@H](O)c3ccnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1633708197 PGWNHFOJARWIFE-WMZHIEFXSA-N 430.549 2.485 30 10 IEEE CN(Cc1cc(C#N)cs1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1636255241 JBDKASMEYJZJQO-UHFFFAOYSA-N 449.554 2.498 30 10 IEEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1638528560 HURBXEQCZBDYSQ-JKSUJKDBSA-N 435.406 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1639033755 NGZBKNNADGSLMZ-ZSVKVYQISA-N 432.521 2.295 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)n1 1639992323 VARNDYRKZFDSCI-LJQANCHMSA-N 438.297 2.301 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 1640893446 RQLSGGGLKFQFFJ-WBVHZDCISA-N 427.339 2.196 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1F 1642607989 SKMFUCTYKRHPMG-OAQYLSRUSA-N 429.473 2.281 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C(=O)OC 1643610956 TXQNGBQMHHEOBK-GOSISDBHSA-N 432.498 2.108 30 10 IEEE COc1ccc(Br)cc1OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1646503394 YUGSWSFXJNMAIM-UHFFFAOYSA-N 439.287 2.492 30 10 IEEE C[S@](=O)(=NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(Br)c1 1647899120 ZHYPWTRJWQNFLW-KVACCUTFSA-N 426.292 2.349 30 10 IEEE CCOC(=O)[C@]1(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCCOC1 1648040292 YNTJAZGGXHOTMU-QHCPKHFHSA-N 431.338 2.384 30 10 IEEE CN(C)CCn1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc1=O 1648694547 WVQCDMOCYJWTNT-WCCYLALTSA-N 443.548 2.135 30 10 IEEE Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1649369291 NQNSYTZIOASQNY-SFHVURJKSA-N 449.360 2.402 30 10 IEEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1 1654619262 BTFARTKXESLLBO-UHFFFAOYSA-N 430.501 2.447 30 10 IEEE CO[C@@H]1[C@H](C)[C@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1(C)C 1658697892 DPWGJLVWGAOQPX-MDASCCDHSA-N 427.505 2.104 30 10 IEEE CCN(CCC#N)C(=O)CN1CCc2nc[nH]c2C12CCN(C(=O)OC(C)(C)C)CC2 1659234951 FZMBTHPVJQPWLN-UHFFFAOYSA-N 430.553 2.256 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1659746859 PJITYCVAGJCKEA-UXHICEINSA-N 435.613 2.448 30 10 IEEE C#CC(C)(C)N(C)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1663366289 YVAHLAZWBLZQFZ-UHFFFAOYSA-N 435.283 2.419 30 10 IEEE CS(=O)(=O)NC1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCCCC1 1666478208 CANAWXDQRFVXHO-UHFFFAOYSA-N 447.605 2.074 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1689930804 ZNRVKHPHOHREAB-ROUUACIJSA-N 435.594 2.041 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](OC)C(C)C)CC1 1690123943 ABNFQZJHHAZVOL-RTWAWAEBSA-N 425.533 2.217 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2OC)CC1 1690350977 DBASZPRDBPTYHX-UHFFFAOYSA-N 430.940 2.488 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1690586017 DDULFSBHSHYIER-NDEPHWFRSA-N 434.587 2.438 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1690604322 SORWGWYFMWLQRN-NRFANRHFSA-N 439.560 2.266 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690673853 HIKBFBMWFKWXME-GOSISDBHSA-N 441.561 2.027 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690723939 DWFFJGGITSGSBS-IAGOWNOFSA-N 426.583 2.167 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS(=O)(=O)C1 1694081886 PZDUXQHXLWZRJI-CABCVRRESA-N 444.561 2.151 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCOCCN(C)C 1694736558 WYLMRNBGQNQYFZ-UHFFFAOYSA-N 448.575 2.165 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1696844424 KPDDNTKDCSBDIJ-LJQANCHMSA-N 438.532 2.390 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1697211026 BSNRXIFXWPOYTO-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697212482 HFCJDZMAFUKALI-ICXBWIRDSA-N 444.536 2.051 30 10 IEEE COCCN(C)CCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1698027141 KVJDGAIZCSOPHX-UHFFFAOYSA-N 440.596 2.137 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1705477188 KELFZCPNVRMSCA-ZIAGYGMSSA-N 425.942 2.079 30 10 IEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1705563885 HMYBXNKNXOQEQI-HNNXBMFYSA-N 434.949 2.262 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1705594528 HZZBAFDFXZFWMX-UHFFFAOYSA-N 448.571 2.073 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1705669487 NUOJTAHEVPYEAL-ZTCOLXNVSA-N 445.608 2.279 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CC=CCC2)C1 1705916690 MQQJPGCUGHBEAC-OFNKIYASSA-N 431.581 2.362 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCCCC2)C1 1705916704 MTFZLPLFPVGHHJ-XXBNENTESA-N 447.580 2.114 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)c2ccccc2)C1 1705921975 CVJNTWWSVPLJCH-GOSISDBHSA-N 431.562 2.305 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1709850528 RTGFBDCIMBXMCB-LPHOPBHVSA-N 426.521 2.116 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@](C)(C#N)C1 1710894145 FAYVFCSXXMICNX-HXUWFJFHSA-N 431.566 2.108 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C1CC1 1722295933 ZAGLEHKSUYCOIX-CVEARBPZSA-N 429.594 2.179 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCO[C@H]2C)c1 1722305838 VOYNGYGSWUSKFT-XDHUDOTRSA-N 449.511 2.443 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1722316064 APEHUAQFARHPQC-ZCNNSNEGSA-N 449.621 2.431 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(O)c1 1722429334 PUJRIXDZDGSOIB-UHFFFAOYSA-N 447.543 2.292 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722510997 WSNAESWLRUWOCS-BOLBYERCSA-N 433.578 2.465 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722554316 DDVMWSSQHASVDL-GJZGRUSLSA-N 427.933 2.264 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CC[C@]3(CCS(=O)(=O)C3)C2)cc1 1722704495 ISTVJMMZDUWPTJ-QFIPXVFZSA-N 446.573 2.443 30 10 IEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC(C)C)CC2)n[nH]1 1725451284 CNSFAXDIGXYAMW-UHFFFAOYSA-N 449.563 2.033 30 10 IEEE CCN(CC)C(=O)CN1CCCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1728356074 ZPCPXIJSGGRYFH-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE CN(C)CCN1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1729338287 RJLJABBZDHPORL-NRFANRHFSA-N 429.613 2.186 30 10 IEEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1730928016 WOVGFGGVLJNWCI-JOCHJYFZSA-N 437.504 2.387 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCCO[C@@H](C)C1 1730931840 WTMJLBXTNSIQOE-FYQPLNBISA-N 434.585 2.241 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1740591336 OKRGZUAQEAUYGS-INIZCTEOSA-N 449.527 2.198 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(CC)CC 1740611206 WVUITLRCSXQQIY-GOSISDBHSA-N 434.585 2.388 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1740625418 FMOOFCYHLXQMLS-MSOLQXFVSA-N 432.546 2.057 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccco1 1740648928 MDKMSHXFLHGSSS-GOTSBHOMSA-N 426.517 2.282 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740850344 HSZJBNCFDHFLPI-QHCPKHFHSA-N 430.597 2.304 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1740926852 LWILUIAFPCQVHP-UXHICEINSA-N 430.597 2.149 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1740962771 NWTPVWDEJSKFCE-DEOSSOPVSA-N 439.560 2.381 30 10 IEEE CC(C)(C)Cc1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741201563 YIYBWGRIZAMVHQ-FMQUCBEESA-N 442.564 2.400 30 10 IEEE CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1743447639 QXJLOOQNLUITIL-WIYYLYMNSA-N 425.493 2.191 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1747617343 CZZKTUWICHWNOZ-FQEVSTJZSA-N 442.589 2.316 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1748278968 ZXOHXNRAHVOLKK-NRFANRHFSA-N 426.546 2.198 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 1748649400 ODNDXPXYSIURFF-CQSZACIVSA-N 448.936 2.164 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(OCCN(C)C)cc1 1748886204 AFYHFXAQADSWKB-UHFFFAOYSA-N 429.528 2.187 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749370649 NPVJGNNHWLUUPB-SFHVURJKSA-N 432.594 2.384 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1749487466 DZJHPKABMHJLQV-FQEVSTJZSA-N 445.589 2.038 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749671015 XVCZXGADWBVJEO-RBUKOAKNSA-N 441.532 2.344 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@@H]2CO)CCO1 1750387151 RRJXUQHAKOYJDD-MSOLQXFVSA-N 428.512 2.050 30 10 IEEE Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCCC(=O)N(C)C)o1 1751494850 FPCIPYJQCUFMOC-UHFFFAOYSA-N 448.531 2.308 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1760121639 XIHXGNKAUHGLSU-CRAIPNDOSA-N 430.503 2.440 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760182081 BNYHWEJMSFJZFJ-ICSRJNTNSA-N 446.573 2.396 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760185456 XLEYJXSNDQDGIC-XLIONFOSSA-N 427.574 2.055 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1760336359 XZNPZCCMLFEJNN-ICSRJNTNSA-N 439.564 2.481 30 10 IEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760449684 RCFOSPDSYSFKLB-OXQOHEQNSA-N 439.516 2.379 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760523238 QRUILRALTQHPIH-RHSMWYFYSA-N 425.518 2.065 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1760547600 NUDPYJXDSIBDFP-PERKRYKHSA-N 432.496 2.317 30 10 IEEE Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1761763400 PPULETVSADVKHH-HMWBCQRISA-N 428.518 2.315 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1762935539 AHOIMQLZSHVLMB-SJORKVTESA-N 434.548 2.415 30 10 IEEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1cccc(F)c1 1766885791 DWYBZOURKRTSOZ-AVRDEDQJSA-N 443.502 2.398 30 10 IEEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1768426836 HQWIFXLXLCMGKL-VQTJNVASSA-N 438.532 2.193 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCC(C)C)CC1 1769349999 SVYPMXAISYRUQY-UHFFFAOYSA-N 425.537 2.341 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)C[C@@H]1O 1770620083 CXBIYVOPCQLSEU-QFUCXCTJSA-N 425.533 2.467 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cnc(C(=O)ON3C(=O)c4ccccc4C3=O)n2)C1 1772788702 DPSDDRYVGCOYRS-CYBMUJFWSA-N 441.444 2.218 30 10 IEEE N#Cc1cc2c(cc1CC(=O)OC[C@H]1CCCN(S(=O)(=O)c3ccccc3)C1)OCO2 1852029024 ACQWIYDEBPTGEZ-INIZCTEOSA-N 442.493 2.474 30 10 IEEE N#Cc1ccc(N2C[C@H](OC(=O)Cc3ccc(I)cc3)CO2)nc1 1852165012 ZWGNLPIMFBVBNI-HNNXBMFYSA-N 435.221 2.464 30 10 IEEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 1852328918 UDTZIVAAYYWMRX-KNQAVFIVSA-N 436.464 2.483 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C3CCN(CCC#N)CC3)CC2=O)cc1 1856160122 AJBHIEZBHGGVNS-LJQANCHMSA-N 431.558 2.483 30 10 IEEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc3scnc3c2)C1)[C@@H]1CCN(C)C1=O 1857055285 BPHZLKLKZQBGEO-CRAIPNDOSA-N 426.542 2.394 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 1862572835 NOXBXPGWVASRLO-HXUWFJFHSA-N 426.469 2.340 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 1862757704 MIRPOCOXBKPPKZ-QGZVFWFLSA-N 426.381 2.254 30 10 IEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccc(C#N)cc3)cc2C1=O 1870106823 IBFALRADWDFQAR-UHFFFAOYSA-N 439.435 2.326 30 10 IEEE C=CCN=c1nc(N(CC)CCc2ccncc2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532193 OKDLOWMUYJSADX-UHFFFAOYSA-N 432.532 2.479 30 10 IEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1C(=O)CSC1=O)n2CC 1873571274 FXBDITWKIGFVRY-UHFFFAOYSA-N 428.518 2.055 30 10 IEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(=O)O)cc1 1874261798 SOPWIFYZBWQCRV-LIMNOBDPSA-N 447.423 2.293 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(N(C)C)cc1 1874337986 QDDHAZNYVAIJJT-RSFOSLOZSA-N 444.561 2.216 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874471088 MOXPXSMIQWGTTK-SRZZPIQSSA-N 444.473 2.259 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C[C@@H]2COCC[C@H]21 1886248091 CAMVXOATADJTEN-CKEIUWERSA-N 430.457 2.403 30 10 IEEE CO[C@H]1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 1969643002 VPFPMBNKSJPACT-SLFFLAALSA-N 428.533 2.247 30 10 IEEE C[C@H](COCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2085661353 WFZLKONYBQAXQS-CQSZACIVSA-N 435.330 2.249 30 10 IEEE C#CCn1ncc(N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106029822 HCHFHUDXMSZDEC-LBPRGKRZSA-N 443.367 2.403 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2216484161 NANWBHNCMKYSFN-OAQYLSRUSA-N 439.553 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CC2)C1 2232270583 JKRQVUMKQBLNII-UHFFFAOYSA-N 444.385 2.122 30 10 IEEE C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248444782 DFGFAZLDEXWSOC-RISCZKNCSA-N 443.350 2.310 30 10 IEEE C#CCN(CC(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2249680293 POQOZXCFGXJCDK-QFIPXVFZSA-N 439.553 2.077 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]2COC[C@@H]12 2254805582 LZUPCYWLYMWRBR-BBWFWOEESA-N 431.342 2.109 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255656352 ZMSDDTFNYLGAPK-YPMHNXCESA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255697780 DKQGSJCPGWEPIU-HYVNUMGLSA-N 429.326 2.118 30 10 IEEE C[C@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255698956 MAPKSLIVFRITKD-AWEZNQCLSA-N 431.342 2.366 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825609 CFODYTIWEHLYDY-UONOGXRCSA-N 434.346 2.084 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2256624610 OECCZLGPHHNVMX-MLGOLLRUSA-N 438.305 2.338 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2256666399 SIVBGOBZEKMZBT-LSDHHAIUSA-N 440.321 2.143 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2266992179 PWBLBBREENFLSF-BJWYYQGGSA-N 443.353 2.224 30 10 IEEE Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267128263 PHZRAZJBFPYPFT-LSDHHAIUSA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267140829 STAHPTOMUSOWGH-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267161700 FYAHVPXEBFXVLE-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267220406 KPFKAUCSOGZBSQ-OAHLLOKOSA-N 448.373 2.445 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267268180 QQJFTEUCTVFWGF-IBGZPJMESA-N 437.349 2.012 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2267499130 ZQQIOJJPUDPTCD-GASCZTMLSA-N 448.373 2.285 30 10 IEEE CO[C@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268654756 DFQOGZJVVGMBFJ-HOTGVXAUSA-N 447.341 2.344 30 10 IEEE Cc1nc(NC(=O)C23CC(CN2C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268716490 OEQXQYGGVNJWIJ-UHFFFAOYSA-N 444.341 2.422 30 10 IEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271386559 KPCHBZDCBWFXDF-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE CCN1C(=O)[C@@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 2296940723 GGPFWLNFKLUGBE-DEOSSOPVSA-N 437.496 2.482 30 10 IEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300298069 FUAPFXDMITYYRY-UHFFFAOYSA-N 437.371 2.381 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2301727460 JPOQHTJRPYBXTI-ZDUSSCGKSA-N 440.371 2.317 30 10 IEEE C[C@@H](C#CC(=O)N1CC[C@](COCc2ccccc2)(C(=O)O)C1)NC(=O)OC(C)(C)C 2302381647 YFQBFOBBYOWVIZ-SBUREZEXSA-N 430.501 2.423 30 10 IEEE COC(=O)[C@H](CC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2303150841 MWFPRMFVOBWPCH-KGLIPLIRSA-N 426.319 2.138 30 10 IEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315532177 HORSTWRWEKJASE-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2315637551 HHGUXGWJIJMCFX-BBRMVZONSA-N 446.334 2.231 30 10 IEEE CCOc1ccc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OCC 2325716462 BLNJTJUBJOAJTE-UHFFFAOYSA-N 432.498 2.030 30 10 IEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2337207246 ZBZHUICFQYQKBI-HNNXBMFYSA-N 448.373 2.095 30 10 IEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)ccc1O 21326665 AGCPPRGBKXZYCJ-LSHDLFTRSA-N 445.480 2.412 30 10 IEEE CCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 33474055 BQEFYOJFDKKLGV-YBEGLDIGSA-N 432.571 2.495 30 10 IEEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1 102743310 WVNJQHOFJVFLTN-LAFOYAEKSA-N 444.919 2.434 30 10 IEEE C=CCN(CC=C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 104505960 WAPGGXJKFPWLAJ-UHFFFAOYSA-N 440.949 2.485 30 10 IEEE N#Cc1cccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)c1 169757582 WSVYHCHRBAUCEK-FQEVSTJZSA-N 431.558 2.424 30 10 IEEE Cc1ccc(-n2c(=C(C#N)C(N)=O)sc(=Cc3c(F)cccc3Cl)c2=O)c(C)c1 254866640 ODUIAXWYJLPOAQ-UHFFFAOYSA-N 427.888 2.297 30 10 IEEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1=O 437823125 QHJGUKXBEOFQAE-UGFHNGPFSA-N 428.543 2.833 30 10 IEEE C=CCc1cc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc(OC)c1OC 440089464 ROWRIAHZIWQLBA-CAMMJAKZSA-N 446.500 2.067 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 460793484 LPRFEKMBXHCAOA-KRWDZBQOSA-N 433.520 2.397 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)c3n[nH]c4ccc(Br)cc34)CC2)c1C#N 472263579 JFCMEGINPRREOC-UHFFFAOYSA-N 428.294 2.201 30 10 IEEE Cc1c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cccc1S(N)(=O)=O 473579173 UZKMRLWQNQRNHQ-SFHVURJKSA-N 432.933 2.319 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)cc1C#N 476457052 KBMXUCXTKQOVOM-UHFFFAOYSA-N 442.526 2.450 30 10 IEEE N#CCCCOc1cccnc1NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 481428489 UPQPTYSNUWSJJM-INIZCTEOSA-N 429.502 2.349 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CC1 504223652 VRUMWKPDDGFCCQ-UHFFFAOYSA-N 427.892 2.452 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@H]1CCCO1 524577353 JEZZSDSPCSIOBX-LJQANCHMSA-N 439.581 2.125 30 10 IEEE COC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 539901763 BKIKAMJUOBSOCG-OAQYLSRUSA-N 427.526 2.463 30 10 IEEE CCN1CCN(Cc2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1 546884645 QZGBCYQWRSLMRO-UHFFFAOYSA-N 447.587 2.123 30 10 IEEE N#Cc1c(NC(=O)CN2CCCN(S(=O)(=O)C3CC3)CC2)sc2c1CCCCC2 579136002 ZXSUVMIVNKOJFD-UHFFFAOYSA-N 436.603 2.327 30 10 IEEE CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)c(C)c1 585226913 HKTYJRXOEIIKSI-UHFFFAOYSA-N 442.545 2.200 30 10 IEEE COC(=O)c1ccc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 586287789 PXQXMEYCSYKLEN-PMERELPUSA-N 445.522 2.221 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)CC1 604188224 RSISMXYNJRQZTR-UHFFFAOYSA-N 437.382 2.356 30 10 IEEE C=CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 679530109 BSOCUIRPUBZGBT-HNNXBMFYSA-N 429.395 2.080 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1-c1ccc(Br)c(I)c1 705618107 RNRBVBRDXUUXJL-UHFFFAOYSA-N 432.015 2.485 30 10 IEEE CNC(=O)c1cncc(/C=C\C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1 732410189 YTXAWVGOGUPXLA-ZBTGYSDGSA-N 436.468 2.342 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCN1C1CC1 732706840 RURZGVGFXKURHM-INIZCTEOSA-N 432.406 2.028 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3cccc(OC)c3)c2=O)cn1 735068812 LRVSDRRHTYWBAS-UHFFFAOYSA-N 436.537 2.242 30 10 IEEE C#CCSCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 739828561 LCWMJTYHOXOVER-HNNXBMFYSA-N 431.377 2.085 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 740206915 WCEYHZDYKJAMIU-SJCJKPOMSA-N 436.873 2.336 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O)O[C@@H](C)C2 746234937 NOADFADQVFUSSM-WOXYWUGUSA-N 425.485 2.297 30 10 IEEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)NCc2ccc(OC)c(C#N)c2)C1=O 746775228 IAVCGCARXOVFRZ-HNNXBMFYSA-N 428.470 2.020 30 10 IEEE C=CCn1c(-c2ccco2)nn(CN2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747832858 PFQSHDFYHRKELJ-WMHQRMGPSA-N 432.502 2.243 30 10 IEEE COC[C@@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 749788673 NPNDBIJGTPROGD-OALUTQOASA-N 432.590 2.419 30 10 IEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 753502659 KJNPWAHFKFXHBH-WBMJQRKESA-N 444.315 2.310 30 10 IEEE C#CCCN1CCC(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 755399977 LYJPEQMRWKRYCP-OAHLLOKOSA-N 441.391 2.463 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@]2(C)CCCO2)C1=O 756079006 RCJJTVWEDAUDSE-PGRDOPGGSA-N 443.573 2.127 30 10 IEEE CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760402284 RTZILCMXBVYUOH-QGZVFWFLSA-N 437.587 2.458 30 10 IEEE Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cs2)c1 760865142 DKZXEIFLZZEQCM-INIZCTEOSA-N 425.514 2.151 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(Cc3ccon3)c2=O)cn1 765145691 MAGLFZZGBWMQQX-UHFFFAOYSA-N 439.541 2.061 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)c1ccc(F)cc1 793204040 DTNKXYFTKLZYNM-OAHLLOKOSA-N 425.482 2.184 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@H]2CCSC2)C1=O 794440494 DZBMXZXVDFMYPX-XJKSGUPXSA-N 442.557 2.470 30 10 IEEE C=CCn1c(Cc2noc(-c3nc(Br)cs3)n2)nnc1N1CCOCC1 809339330 VHFGFSCJISGVAO-UHFFFAOYSA-N 438.311 2.161 30 10 IEEE COCC(C)(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 813565365 ZEIJXDTXESDTPZ-OAHLLOKOSA-N 426.608 2.420 30 10 IEEE CC(C)(C)OC(=O)NCC1(C=NNS(=O)(=O)CCc2ccccc2)CCOCC1 814222104 AIAGHBKVMQPTRT-UHFFFAOYSA-N 425.551 2.456 30 10 IEEE CCc1noc(C[C@]2(O)CCCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 856677414 QNJNIPVLLULYQY-YEJXKQKISA-N 429.546 2.450 30 10 IEEE NC(=O)CSc1nnc(NN=Cc2ccccc2OCc2ccccc2Cl)n1N 1084039962 JEPNBDVGGLQWOG-UHFFFAOYSA-N 431.909 2.248 30 10 IEEE COc1ccccc1C=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 1084600392 GGEOZQXTRVHVEB-UHFFFAOYSA-N 440.485 2.397 30 10 IEEE Cc1c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cnn1CCC#N 1124495316 RGZVHTDFPADNRE-UHFFFAOYSA-N 437.909 2.032 30 10 IEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)[C@H](C)COC 1130890494 YSBYPUKPGULKMP-MRXNPFEDSA-N 439.534 2.353 30 10 IEEE C=CCOCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1131300300 YASQKZJFLYQOHZ-INIZCTEOSA-N 432.546 2.299 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1138043084 USGVNCCYUIWMMV-QGZVFWFLSA-N 426.542 2.457 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)NC3(C#N)CCOCC3)ccc2NC1=O 1147006796 FCRYMZVTYLEPSQ-QGZVFWFLSA-N 428.489 2.267 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 1154152520 FHANGLXPIRWCJD-QGZVFWFLSA-N 430.486 2.238 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)c1N 1157295268 LLXRRYMBRJRREA-UHFFFAOYSA-N 431.378 2.253 30 10 IEEE C=CC1(CC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CN(C(=O)OC(C)(C)C)C1 1170080650 PPNWNWNPRYRJNJ-IBGZPJMESA-N 430.549 2.212 30 10 IEEE C#CCNC(=O)CN1CCCN(c2nc(C(F)(F)F)c(Br)s2)CC1 1185283133 ZKQKETIEKIAZRW-UHFFFAOYSA-N 425.274 2.186 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 1192213660 CDDGNYLWPZTDDO-UHFFFAOYSA-N 426.922 2.215 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](OC(C)C)c1ccccc1OC 1286407344 IIHISEGGZOAJEM-TZIWHRDSSA-N 435.528 2.477 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1286494915 QOARFPZQMFXNMB-UHFFFAOYSA-N 442.545 2.468 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSCC1 1286509482 RFBGTCQVMFCLKX-UHFFFAOYSA-N 429.619 2.372 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286686442 GFCPOUMJDLFOLL-UONOGXRCSA-N 428.459 2.090 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1291297336 XXLVSSDKEWBXEJ-YCPHGPKFSA-N 449.353 2.447 30 10 IEEE CCSc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1297848679 IFUGMCFIRNOTBI-QGZVFWFLSA-N 426.546 2.403 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1300440328 UPGLGAVNYGJVHV-GOSISDBHSA-N 435.532 2.434 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1300458027 DKVOQOCZOFCJFO-IBGZPJMESA-N 438.557 2.100 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(F)c1 1300539098 YCCPMPUQPOXDKC-KRWDZBQOSA-N 428.533 2.370 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCC1 1300578660 FJATYYXDCBXPJX-UHFFFAOYSA-N 443.555 2.234 30 10 IEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301259736 NHQQMRPRQSWOJX-OALUTQOASA-N 425.533 2.185 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301435893 ZENBZFBPWOOJSF-UHFFFAOYSA-N 448.474 2.307 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NC(C)=O)CC1 1301489893 GDQRZJGXKGKNAN-UHFFFAOYSA-N 446.939 2.014 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ncn(C)n2)C1 1301545943 ODCWBRGADQKUKG-KRWDZBQOSA-N 439.520 2.311 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301596539 RHISCDXTTRSDJG-UWJYYQICSA-N 435.594 2.208 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCC=CO1 1302038899 RNJZULYWRSABTR-QAPCUYQASA-N 440.504 2.230 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCCO[C@@H](C)C1 1302244153 VFJWIDVRYJUWRT-FYQPLNBISA-N 434.585 2.099 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)CC2CC2)cs1 1304664635 PZZHXJLZFRYFKX-UHFFFAOYSA-N 434.591 2.199 30 10 IEEE N#Cc1cn(C2CN(C(=O)C3(c4cc(Cl)cc(Br)c4)CC3)C2)c(=O)nc1O 1305589137 CWWIXCBDHBZZLR-UHFFFAOYSA-N 449.692 2.352 30 10 IEEE COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1308127492 BCGQNDPBPPCADH-RCZSKKKRSA-N 431.558 2.009 30 10 IEEE COc1cc(CCCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc(OC)c1O 1312471334 RTBDOIHDIVJKIG-HZPDHXFCSA-N 448.520 2.400 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1312731454 IHLRPAFOKCWMTI-KURKYZTESA-N 434.541 2.383 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@@H]1C 1315118379 OJCDZWVEEIFWBH-AWEZNQCLSA-N 434.447 2.375 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315813959 FMMFIAQOXLQQLY-HXUWFJFHSA-N 446.490 2.395 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1315818357 YMHIFEUKXBABDF-UXHICEINSA-N 428.512 2.102 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCOCC(F)F)CCN1C1CC1 1316538868 BEPZEGMIADUYLD-KRWDZBQOSA-N 434.466 2.466 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cs1)C(N)=O 1352237893 MTZXHKRJENGATK-QGZVFWFLSA-N 447.561 2.401 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1=O 1358877312 BGYSNXFZXGVYKF-KRWDZBQOSA-N 443.573 2.209 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1358918708 DMHUIKODPYEURU-CQSZACIVSA-N 442.486 2.115 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCOCC1 1359019588 ZEBBQMLIMRTPLY-UHFFFAOYSA-N 449.349 2.335 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCOCC2)CC1 1359032215 GNZVBOKEZQWWKH-UHFFFAOYSA-N 444.967 2.334 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1359060438 VNVOWCAXZINDLW-SFHVURJKSA-N 428.558 2.438 30 10 IEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](COC)OC)CC1 1359164072 DEKSEKNNNCZVDQ-KRWDZBQOSA-N 438.532 2.493 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1359265969 PVSNAXBVUZRXRY-HXUWFJFHSA-N 448.579 2.354 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1359411242 GBHPVKSZWCUIBJ-IMQCZEGASA-N 449.559 2.179 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCOC1 1360325156 ZDSISIVMNQTWAF-OFNKIYASSA-N 441.532 2.242 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1443916484 IFMRLHOJXKUFRR-UHFFFAOYSA-N 431.290 2.321 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CC(N2CCOCC2)C1 1452082330 BYDDLNNLXNZBRI-UHFFFAOYSA-N 438.322 2.078 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)CCNC2=O 1453282890 CVQSHDFNKNYOJR-SFHVURJKSA-N 440.525 2.209 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1466695534 ZVFFBTPXNACQEN-APWZRJJASA-N 431.374 2.197 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1Br 1474881530 GXZUDUJLBYZVMK-CQSZACIVSA-N 446.342 2.335 30 10 IEEE CCN(C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1501494346 CUMZEANDRSUJLP-XLIONFOSSA-N 444.605 2.419 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1=CCCOC1 1507667586 PDEZINBLVUNVOK-UHFFFAOYSA-N 442.523 2.485 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCS(=O)(=O)C1 1507705957 ZGJSDDSRXVIUDU-CQSZACIVSA-N 440.928 2.258 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507966072 YAQBDTXKXBNCND-GOSISDBHSA-N 439.626 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1508143442 KZMPVNAMXRJXSJ-IRXDYDNUSA-N 438.623 2.071 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1508155039 HYBOJGDSRXDAGO-UHFFFAOYSA-N 433.545 2.248 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1511538276 MZGQCSAIMAWBNE-INIZCTEOSA-N 434.591 2.199 30 10 IEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1517824412 ALQRGZSIMCDRSQ-HXUWFJFHSA-N 433.516 2.144 30 10 IEEE CCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](CC)C(=O)OCC 1522512402 GQTQELIWQOCCMJ-MSOLQXFVSA-N 428.489 2.344 30 10 IEEE C=CC[C@]1(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1531664086 GCAXUXCRIVGNHW-MRXNPFEDSA-N 428.473 2.426 30 10 IEEE CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1=O 1535928017 BUMRNDAFXLQHSI-GOSISDBHSA-N 430.386 2.475 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCOC(F)(F)C(F)(F)F)C2=O)cc1 1537021513 PCTIMTAVVTZGPO-GFCCVEGCSA-N 434.321 2.051 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cnn(C)c1I 1538524328 KILWPNZNMGEMNB-UHFFFAOYSA-N 449.256 2.127 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1538972582 KSLRVKQOTVCPTM-HOTGVXAUSA-N 431.562 2.087 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1539084967 GMUQOXVEWQMBDI-UHFFFAOYSA-N 449.603 2.186 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1539224856 JCSNIHBSDAHFSW-QGZVFWFLSA-N 434.512 2.378 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1539599439 FLJGONLUKVAVHC-QWHCGFSZSA-N 433.372 2.093 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539630939 HMGXHOQEKKGSIL-BQJUDKOJSA-N 433.597 2.310 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1539779356 VJRLSUJUXPVYSN-IAGOWNOFSA-N 440.976 2.337 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCCS2(=O)=O)CC1 1539859515 RYCPPFBIBYUOMR-UHFFFAOYSA-N 447.561 2.058 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1540866418 MRMMLXSGGCHBFU-UHFFFAOYSA-N 432.912 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OC)C1 1540905191 RFPGLZYEUDDACL-APWZRJJASA-N 448.545 2.007 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1541030610 DQECWOBMESMPIK-XXBNENTESA-N 434.500 2.422 30 10 IEEE Cc1ccc(CN(C)c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1542371708 PFEAVQDZPUOFEC-DQRAZIAOSA-N 447.499 2.328 30 10 IEEE CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1547967933 PHPNIEIBSXFVEZ-MSOLQXFVSA-N 427.505 2.356 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1556973349 DVOGZZSEQAFGES-QGZVFWFLSA-N 429.454 2.178 30 10 IEEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)C1CSC1 1557439068 ODICCOBYVZWTKT-UHFFFAOYSA-N 444.534 2.449 30 10 IEEE CC1(C)OB(C2CCN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)OC1(C)C 1558163862 KMAYUGDXUGRFAW-UHFFFAOYSA-N 427.310 2.437 30 10 IEEE CN1CCC(C#N)(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1584986757 SWCFOUOUVWBMEM-LJQANCHMSA-N 429.565 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 1588189973 VZRKGIDRRKHVGJ-UHFFFAOYSA-N 441.337 2.191 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588885883 ZYXMKRYOJWCKQO-GOSISDBHSA-N 442.608 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](OC)C(F)(F)F)CC1 1588913296 GPOBNUYMHBGOBS-MRXNPFEDSA-N 438.454 2.206 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1589059989 MBGOXKHOSDDGRC-LJQANCHMSA-N 430.622 2.045 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNS(=O)(=O)CC)CC1 1594083459 NOPHBXDZGNDDJQ-UHFFFAOYSA-N 441.561 2.227 30 10 IEEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCOCCS(C)(=O)=O)CC1 1594128854 YKYZJPRYSKQHPT-UHFFFAOYSA-N 434.562 2.383 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1596377600 FHWPECJPNGDLSH-UHFFFAOYSA-N 440.548 2.099 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1596814436 WKDURWZABOJNJL-ZIAGYGMSSA-N 443.458 2.212 30 10 IEEE CC1(C)CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1611790567 HFSOWZARIAOPOD-LJQANCHMSA-N 438.532 2.103 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)s1 1617267638 GJLRTYOVWFZRCD-ZDUSSCGKSA-N 445.574 2.284 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1618358997 PIQMJEUXEQASSZ-GOSISDBHSA-N 447.561 2.025 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)CCO1 1619753925 GSYSTXGNBIGEEQ-REWPJTCUSA-N 441.532 2.395 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1620346633 FCXGXRQQVNWEJU-JTSKRJEESA-N 442.495 2.140 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2cc(F)ccc2F)s1 1627679742 FYIKPWNPIVTUEZ-QGZVFWFLSA-N 444.481 2.064 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 1630072824 FSIAYIHUUKIYMN-LJQANCHMSA-N 429.517 2.333 30 10 IEEE COc1ccc(C[C@@](C)(CO)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1OC 1634012461 FEZRNDIKMRWVOI-QHCPKHFHSA-N 442.516 2.198 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N(OCC)[C@@H](C)c2cccc(Br)c2)C1=O 1635025858 BVUNZPKWMQJMJG-LBPRGKRZSA-N 438.278 2.267 30 10 IEEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1637228096 GQSKLAVGUUZMTO-UHFFFAOYSA-N 440.522 2.222 30 10 IEEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1640913442 JJOFEAOLPMZECM-UHFFFAOYSA-N 428.510 2.168 30 10 IEEE C=CC1(CC(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)CN(C(=O)OC(C)(C)C)C1 1641758304 OUDWUIHKLHDJGD-GOSISDBHSA-N 439.622 2.466 30 10 IEEE C#CCC1(O)CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1644429353 UWVQYXCIFUIFLK-UHFFFAOYSA-N 428.348 2.380 30 10 IEEE COC(=O)[C@@H]1c2ccccc2OCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1660475802 WKYNYJJBNXIOGN-NRFANRHFSA-N 431.452 2.291 30 10 IEEE C=CCc1cc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)cc(OC)c1OC 1666799594 PJAYLHQVMJLKCE-UHFFFAOYSA-N 432.498 2.033 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C1 1669578723 HVNHYLBYTQPVLG-GOSISDBHSA-N 434.562 2.068 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1673623129 MDBKFAROXOEUHU-PTGBLXJZSA-N 448.545 2.308 30 10 IEEE C=C(C)C[C@H](CO)NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1675582085 MTPNKVOPOMCNJQ-LJQANCHMSA-N 435.521 2.431 30 10 IEEE C#CC[C@H](CCOC)NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1683129786 DYRWXGXTUIECAB-CRAIPNDOSA-N 427.501 2.439 30 10 IEEE CS(=O)(=O)N1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 1683743834 DYMURLBBEYDCDQ-HXUWFJFHSA-N 430.505 2.443 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1689827990 KKSWRNZXPGEXFB-CVEARBPZSA-N 437.541 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1689829251 WTEBRXPLQKVXCI-SGXKBVARSA-N 446.573 2.042 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(C)COCCO2)c1 1689870322 KHPRSOTWMMCBHI-DEOSSOPVSA-N 448.527 2.145 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689919243 HPSVJDVAWYAEJD-UHFFFAOYSA-N 436.969 2.267 30 10 IEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1689927955 FHUMETDRJWRQKM-HXUWFJFHSA-N 438.532 2.475 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCSC1 1690098205 ZGRUJNWHOSZDJE-KRWDZBQOSA-N 438.561 2.150 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)COC)CC1 1690139894 DMMZSTIHLUJXKB-HNNXBMFYSA-N 430.940 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](CC(C)C)N(C)C)CC1 1690142258 KPHSPCVUFSMOKY-HXUWFJFHSA-N 437.592 2.282 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1CC 1690518669 QXHSGQZHGQWHOT-GOSISDBHSA-N 432.594 2.302 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1690563363 OUVLIXHSIQKWGR-DHIUTWEWSA-N 428.533 2.274 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1690565967 YZNSQUIFSOPAIC-SFHVURJKSA-N 443.573 2.389 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)COC)C1 1690689688 JVLJTTLLROSYDB-SJLPKXTDSA-N 434.562 2.412 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)C1 1690700021 MPHOTVIXXWYZLT-RTBURBONSA-N 446.573 2.349 30 10 IEEE Cc1occc1CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692927611 OSGSEOXRILTFML-JLUOLNIDSA-N 440.504 2.236 30 10 IEEE Cc1cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)cc(N2CCCC2)n1 1692993291 BDCDXPJIEWFTKT-KRWDZBQOSA-N 436.564 2.462 30 10 IEEE CO[C@H](CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1697138287 MCILACSTSCOBEN-QZTJIDSGSA-N 449.481 2.408 30 10 IEEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1698274061 NMRSHJOEVRYXBK-RTBURBONSA-N 446.502 2.398 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1705495315 OFBXWUINOFPMRH-KSZLIROESA-N 433.553 2.471 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)c1 1705504453 WZAYRIVAZDWEIO-MWTRTKDXSA-N 425.533 2.172 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705512379 APAKVMAUQXBPLJ-LJQANCHMSA-N 443.515 2.152 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1705552711 NWCIJBQCYQOAAZ-IBGZPJMESA-N 446.596 2.184 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1705565069 FSULRNGVNGMJMV-QGZVFWFLSA-N 441.557 2.216 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCC(C)C)CC1 1705635069 QDTKMQJKFFMOHF-BJKOFHAPSA-N 447.624 2.261 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1705667622 YGPXYJHZFLQTIZ-ZWCUEREDSA-N 444.605 2.183 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705761086 ZVSVZXQLUVLCED-HXUWFJFHSA-N 435.960 2.131 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1705894855 NBLXICWYCUSHQD-UHFFFAOYSA-N 432.475 2.166 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CCC 1705895654 OCMYHZOIABSDHU-HNNXBMFYSA-N 447.609 2.474 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1705929750 WXNFEYWMPDRMHW-QHAWAJNXSA-N 439.516 2.050 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705936850 ZKMAEEIBOKWVTP-QZTJIDSGSA-N 434.566 2.196 30 10 IEEE CC/C=C/Cn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709400920 MJFKQNLHENZDJA-VMPITWQZSA-N 431.548 2.470 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1710295711 LYJCKJSMJGJLKQ-CTNGQTDRSA-N 429.613 2.186 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722337542 CZNODTXXNKFNJY-UHFFFAOYSA-N 438.576 2.098 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)NC)c1 1722417345 DNVOTRSVEVOIIP-PMACEKPBSA-N 425.533 2.064 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C2CCC2)CC1 1722439002 KGAIPWSJSFIRCE-UHFFFAOYSA-N 438.551 2.070 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722507926 QNBOBTDEFVHDAW-HKUYNNGSSA-N 437.610 2.435 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722628248 UZESIKYDKPAKBG-IAGOWNOFSA-N 445.593 2.162 30 10 IEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722629661 VOOPVOWIWXGISJ-QHCPKHFHSA-N 426.565 2.158 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1722705517 DQCMNEOWKXQPLI-KRWDZBQOSA-N 433.516 2.405 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740586767 MOYGSGOKRXMIEK-IBGZPJMESA-N 436.516 2.478 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)CN(C)C1=O 1740613310 BZVXNJUTIKHNFE-LJQANCHMSA-N 432.322 2.167 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H]1C 1740653015 WJEDXJGLRMEDQC-IBGZPJMESA-N 443.555 2.139 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1cccn1 1740663873 VJJBYHNSGOAWED-UHFFFAOYSA-N 440.577 2.293 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1cnnn1 1740681813 WALMSLLBPPEWIE-UHFFFAOYSA-N 435.319 2.415 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1740695638 ZOAOZOLFRLBTPV-JOCHJYFZSA-N 437.935 2.051 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(=O)NC 1740709128 AUHJGUHSOVPLSB-UHFFFAOYSA-N 428.562 2.086 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740718328 MIERFHRINULKCS-IBGZPJMESA-N 437.573 2.132 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740760704 KOROPMIYFLSXND-QRVBRYPASA-N 437.610 2.435 30 10 IEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1740827025 HBYGZEWEMYDDMR-VXPUYCOJSA-N 439.545 2.317 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1740918902 RHLVWWYBWVJHPD-FQEVSTJZSA-N 432.528 2.477 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCOC2)c1 1748692889 REEIYDYTQFBIEJ-GOSISDBHSA-N 433.516 2.161 30 10 IEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1748718595 KSSFADBTBQWBLW-UHFFFAOYSA-N 447.587 2.364 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1748855538 BSIKDFRDWGXOFW-URXFXBBRSA-N 431.496 2.140 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1748858470 BJFUAMXYAGTECH-FDDCHVKYSA-N 443.548 2.228 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(CCOC)c2)CC1 1748979059 UJSDTHMQPIBANJ-UHFFFAOYSA-N 439.951 2.245 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1749010662 OZXFNKMWYJSPHK-UHFFFAOYSA-N 447.587 2.370 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1749044414 QRQOIPFNDSPNON-UHFFFAOYSA-N 440.573 2.150 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749210693 MRPQCYNPQMLEFO-VGOFRKELSA-N 435.569 2.173 30 10 IEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1749243872 ABLPEKZHDIAGGZ-JZXOWHBKSA-N 431.562 2.200 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1749309199 FXYXAPIBQWTECR-SFHVURJKSA-N 440.523 2.040 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCCCC2)CC1 1749329797 RTSFKOHNCWMYLE-ROUUACIJSA-N 438.642 2.413 30 10 IEEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1749348317 NOQUCQFBRILSOW-IBGZPJMESA-N 438.532 2.290 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749457335 JXLCPHNUZLBQLX-RBBKRZOGSA-N 446.640 2.448 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2COCCO2)C1 1749694548 UFJFLXDXFVNLBG-WOJBJXKFSA-N 441.532 2.344 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1751279139 STNLVYZSWYAGMJ-CYBMUJFWSA-N 435.472 2.237 30 10 IEEE CC1(C)CN(CCn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CCO1 1751300534 VFFQNLBOPSSOLN-UHFFFAOYSA-N 439.564 2.221 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760137719 WRIWDMZHOKZGJN-DLBZAZTESA-N 430.553 2.384 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1760155146 REXINULVAPTTLK-VQTJNVASSA-N 430.574 2.462 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185801 DTVNFWKVYVIYQT-UYAOXDASSA-N 446.548 2.061 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(N(C)C)CCOCC1 1760250864 RIYUIRCFSAYPFM-UHFFFAOYSA-N 447.530 2.344 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCCC[C@H]2CC)CC1 1760273319 OPQKLNAIERWQDC-HXUWFJFHSA-N 430.597 2.045 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760281879 RHMWQISCAQVWPT-PCCBWWKXSA-N 446.665 2.143 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](c3nc(C)no3)C2)nnc1[C@@]1(OCC)CCOC1 1760286680 RMDOBOFBUIETBX-LAUBAEHRSA-N 446.577 2.372 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760307368 QCYSASJISWHBMP-CXAGYDPISA-N 426.315 2.112 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1760334671 KSSYMALMGZYANL-NVXWUHKLSA-N 439.486 2.344 30 10 IEEE C=C(C)COCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760361394 KCSXKZJNMVVKNB-HSZRJFAPSA-N 449.596 2.359 30 10 IEEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1760363384 LSKSANXXWPMATC-OAQYLSRUSA-N 439.560 2.474 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1760454593 PCWKWJVCAHMQLO-QGZVFWFLSA-N 441.561 2.381 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(C)(=O)=O)cc1 1760469215 YSHJWPGXSBIJEE-HKUYNNGSSA-N 434.562 2.271 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1760542132 DLWHYGCHNSWPJY-GOSISDBHSA-N 434.537 2.367 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H](O)C1 1760690214 BCKZIOMPFIQXPM-BRWVUGGUSA-N 445.593 2.385 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCS1 1765235420 HXQXBZGRHOCZSU-GOSISDBHSA-N 440.573 2.431 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1766497115 BSGICZOXNYLMCW-AUSIDOKSSA-N 441.532 2.397 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCNC(=O)C(C)(C)C 1767063326 BBTALHVZJWNQSD-UHFFFAOYSA-N 437.548 2.071 30 10 IEEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)F)CCN2C1=O 1767510083 NOTLRTVZYUOZNE-INIZCTEOSA-N 431.447 2.002 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2cccc(OC)c2)CC1 1771222912 NXCZIPWAKYUMKD-YLJYHZDGSA-N 441.532 2.471 30 10 IEEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)cc1 1771234877 YAHXUDGGBALYQS-LJQANCHMSA-N 438.532 2.433 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1F 1771496983 VWDUCPJAPRKKJH-MNEFBYGVSA-N 447.536 2.490 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1772564800 QOWBZXFEKWZYLI-ZDUSSCGKSA-N 429.468 2.459 30 10 IEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 1772790977 WOYQKFSZCHRSRT-ZDUSSCGKSA-N 428.828 2.322 30 10 IEEE Cc1nc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc2n1[C@H]1CCS(=O)(=O)C1 1772791242 QCYWHBLMXQDNJJ-AWEZNQCLSA-N 439.449 2.072 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCc4nc(C#N)ccc43)C2)cc1 1848821966 QXURIRAJEYCELH-INIZCTEOSA-N 440.525 2.342 30 10 IEEE N#Cc1ccc(C(=O)CO[C@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)cc1 1852800510 RLCSARRQXSEIID-LJQANCHMSA-N 426.494 2.222 30 10 IEEE Cn1ccnc(N2CCC(N(Cc3ccc(F)nc3)C(=O)c3ccc(C#N)cc3)CC2)c1=O 1853516129 NUMCWMLVGVCALB-UHFFFAOYSA-N 446.486 2.497 30 10 IEEE Cn1nncc1CN(Cc1nnc2n1CC[C@@H](C(F)(F)F)C2)C(=O)c1cccc(C#N)c1 1853537435 SJHUTWYNCWSOGL-OAHLLOKOSA-N 444.421 2.246 30 10 IEEE COc1c(F)c(F)cc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1F 1854051171 XITCVCORMMPHKX-NSHDSACASA-N 442.371 2.146 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCN(CC(F)(F)F)CC3)C2=O)c1 1856572301 PKSBXODVGKLCOR-MRXNPFEDSA-N 428.842 2.327 30 10 IEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861244887 QNTSBJFJIZRRAG-OAQYLSRUSA-N 439.512 2.073 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)O)cc1 1862608788 WFQCWYODRPTMKK-CWTRNNRKSA-N 439.420 2.115 30 10 IEEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782485 JIWVSAMVPDEDJZ-RTBURBONSA-N 432.590 2.293 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccccc3)cc2C1=O 1870107019 OHYVRUNOHOHBJJ-UHFFFAOYSA-N 444.451 2.083 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccco1 1874436016 HYMFLVZOIZLLLF-DACUGSJHSA-N 426.502 2.359 30 10 IEEE CN(CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Cc1ccccc1 1891466576 FNPLDPMMPAUESO-HSZRJFAPSA-N 439.581 2.481 30 10 IEEE C#C[C@H]1CC12CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 1891724914 NYIHFSXPOVTNBH-QFBILLFUSA-N 431.514 2.400 30 10 IEEE CO[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2010547507 YCDWMZZZKNNJTJ-WMZHIEFXSA-N 428.533 2.249 30 10 IEEE CN(OCC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2060632433 AQWTXKJKHSQUEF-UHFFFAOYSA-N 434.342 2.443 30 10 IEEE COCC1(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 2060638427 WURQHDZYNRVRJX-GJZGRUSLSA-N 436.358 2.421 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2067742855 LWHJBXYPHMYJIC-FZKCQIBNSA-N 436.358 2.345 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)O 2131457122 AAZJOMIJIGZNJB-KRWDZBQOSA-N 448.369 2.266 30 10 IEEE Cc1cc(C#CCN)cc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2146010823 VJOKPBHIGAPNJZ-UHFFFAOYSA-N 425.510 2.123 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905316 HBITUFBJXATUHP-OLZOCXBDSA-N 437.371 2.428 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2249675871 LEHXNLDSKITJKU-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2255528456 ASVYBHHOHFQORQ-KRWDZBQOSA-N 438.362 2.292 30 10 IEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2255598867 ZIVCCKRILWFHSR-HNNXBMFYSA-N 434.346 2.084 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 2255681569 ULQQAZCHCBRJRK-UHFFFAOYSA-N 431.342 2.160 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2256926940 CKKTWTRWCAVSFJ-DYVFJYSZSA-N 446.334 2.231 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1n[nH]c(CNC(=O)OC(C)(C)C)n1 2266989942 LFLSBBKGVMVKJI-UHFFFAOYSA-N 447.301 2.282 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267136695 HQXYSHXMEKPPPS-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267178823 HRTVIBMEYADFLH-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE CCn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267496355 AIBCYTVFANPIKM-MJGOQNOKSA-N 438.381 2.453 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267499592 WEYFRTACEWRIGA-KRWDZBQOSA-N 438.381 2.374 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)n1 2267505655 LSZWBLHKZHLQPW-OAHLLOKOSA-N 447.341 2.360 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]1CC2 2267518214 AJAQZLMRNLFZSV-NUEKZKHPSA-N 446.357 2.369 30 10 IEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267523120 XRYRCHQBDFOFEY-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE C=C(CN(C)C(=O)[C@@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268716459 NXMPNJYIWMXOSX-HNNXBMFYSA-N 447.345 2.043 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2272636786 OWYVUIQHALADTM-MWTRTKDXSA-N 443.353 2.368 30 10 IEEE Cc1ccc(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701561 KGWTUHBDFONOJU-KRWDZBQOSA-N 448.369 2.186 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2296271036 CEZORBYPPLVXHL-BZSNNMDCSA-N 439.350 2.385 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2310284078 KXADGJVMPKKEBH-VGWMRTNUSA-N 436.358 2.155 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)c(OC)c1 2331569467 BYJSSCOMOVSRFY-UHFFFAOYSA-N 434.503 2.208 30 10 IEEE C[C@H](C#CC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)O)NC(=O)OC(C)(C)C 2366840680 AEVYRTNYNIHBBS-IUODEOHRSA-N 439.306 2.478 30 10 IEEE COc1ccccc1/C=N/Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1 59880504 URJPKTOHGJDUMM-DNTJNYDQSA-N 430.494 2.174 30 10 IEEE N#Cc1cccnc1N1CCCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 109914427 KJJLAWKPNVSETQ-UHFFFAOYSA-N 430.468 2.077 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 254679576 PBEWOTLUXHWPMT-UHFFFAOYSA-N 425.510 2.190 30 10 IEEE N#CC1CCC(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 441132166 CNAACARETMTWCK-JCYILVPMSA-N 434.518 2.442 30 10 IEEE N#Cc1ccc(OCCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 461178713 GMFHMAAQUPOAEK-UHFFFAOYSA-N 427.526 2.301 30 10 IEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1)[C@H]1CCOC1 461706793 VQDHJAKMWLCTMR-OALUTQOASA-N 427.505 2.007 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@@H](CO)c3ccccc3)ccc21 471044992 WFACNUDETQCZOW-IBGZPJMESA-N 434.496 2.100 30 10 IEEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl 471935614 UCOBIUHHCWBPIZ-CYBMUJFWSA-N 436.671 2.252 30 10 IEEE C[C@H]1C(=O)Nc2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)ccc2N1C 495109930 HSUFUOOUWRDTIV-ORAYPTAESA-N 435.509 2.489 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 507986036 MRYXRDYTHWRNDW-UHFFFAOYSA-N 437.521 2.291 30 10 IEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)C[C@H]2c2ccccc2)CC1 553102661 ZONOERURSDRTAT-PMACEKPBSA-N 437.569 2.020 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(Cl)c1 557852115 MGOYATHEPHZJET-CABCVRRESA-N 431.901 2.409 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CCc2ccccc2)cc1 567919911 BDBKIJFQJUTLJH-JOCHJYFZSA-N 444.539 2.492 30 10 IEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Cl)c(OC)c(OC)c3)N2N1 588226973 AGBIUEQSPKEFOD-LJQANCHMSA-N 442.928 2.419 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CC1 604169598 KWDGVXFTMVDHBP-UHFFFAOYSA-N 439.516 2.012 30 10 IEEE N#Cc1ccc(CNC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c(F)c1 609254548 ROEKPAUMRMLADW-QGZVFWFLSA-N 434.468 2.489 30 10 IEEE Cn1cccc1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 619850989 KSARDDFUCZWYTK-FQEVSTJZSA-N 445.527 2.297 30 10 IEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(F)(F)Oc1ccccc1 670211114 DKDOZWVFZTZWAG-MRXNPFEDSA-N 446.458 2.455 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCSc1ccccc1 727416516 UCNKYMCOGDIKMX-UHFFFAOYSA-N 439.562 2.324 30 10 IEEE Cc1occc1C(=O)NC1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 727426025 HTMNOMXLSHXHPU-QHCPKHFHSA-N 435.484 2.079 30 10 IEEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccc(C#N)c(Cl)c3)ncnc1-2 729546963 CDEKNGPGJZRZIA-UHFFFAOYSA-N 449.700 2.258 30 10 IEEE CC(=NNCc1ccc(F)cc1F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819883 SRICCPGZOGMORY-UHFFFAOYSA-N 431.486 2.204 30 10 IEEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730137772 IEUXTHWIUWDQRF-RBUKOAKNSA-N 432.590 2.427 30 10 IEEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Br)c1 730138801 NEDJHCILBJBUMS-OAHLLOKOSA-N 437.363 2.082 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)CCC4)c2=O)cn1 732563145 SEEQUXUZCGNZTE-UHFFFAOYSA-N 444.560 2.476 30 10 IEEE COC(=O)[C@@H](OC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(C#N)cc1 740191882 CKTKGXMFBMVWHI-GBXCKJPGSA-N 449.463 2.259 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 742142913 CHBUBVDXEGEXBL-UHFFFAOYSA-N 432.929 2.090 30 10 IEEE C#CCCN1CCC(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 743491063 YLYREMIZGZXRAK-UHFFFAOYSA-N 434.334 2.169 30 10 IEEE N#Cc1ccc([C@H](OC(=O)c2n[nH]c3ccc(I)cc23)C(N)=O)cc1 745475997 UOXPCDSYDUGIAJ-HNNXBMFYSA-N 446.204 2.423 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 746193219 FTQXNFBYPXVOEF-APFMSCDFSA-N 439.447 2.498 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 747268906 GYGGNGAJCMPXAE-JTPHSUOKSA-N 425.510 2.271 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC(C)C)c2)c1=O 748063936 GRRPTFPOWAUTQQ-UHFFFAOYSA-N 426.538 2.216 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 748807283 XJFDHVDAOOXXIK-UHFFFAOYSA-N 426.472 2.341 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 771569112 ZRKHGKMSPSNBMW-CQSZACIVSA-N 434.440 2.260 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cc(Br)cc(Br)c2O)CC1 775644479 IXFHOKVKBCQTKM-UHFFFAOYSA-N 447.171 2.337 30 10 IEEE C=C[C@H](CC)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 776104397 OOWDKRGKAMBFFO-MRXNPFEDSA-N 428.938 2.461 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2ccc(OC)cc2Br)C1=O 776352148 CRYZXOQDVLGDNF-JTQLQIEISA-N 425.235 2.039 30 10 IEEE C#C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1 776403616 AHEJAPKVNBVXKI-VJBWXMMDSA-N 438.549 2.408 30 10 IEEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 784341234 KTWMHCONGSUBIB-QGZVFWFLSA-N 431.426 2.015 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3cnnn3Cc3ccccc32)ccc1F 787811296 KYLOZWIVKDKYBU-UHFFFAOYSA-N 427.461 2.090 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790248198 RYAPBOJFPMZTDE-MBSDFSHPSA-N 435.565 2.430 30 10 IEEE Cc1c(C#N)c(NC(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)n(C2CCCC2)c1C 790674841 OBVXOLMNSMKQJP-HSZRJFAPSA-N 440.500 2.186 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 792746986 KHJCMZDXVZEIGX-MJGOQNOKSA-N 425.558 2.360 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C(F)(F)F 810675153 MOSHJOPTHSDYCA-LLVKDONJSA-N 427.445 2.362 30 10 IEEE C#C[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccc(Cl)cc1 811947396 DUUAEERAUUTHIL-LBPRGKRZSA-N 434.681 2.037 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 812186726 ZIPFSCKMEQLKDB-DLBZAZTESA-N 448.568 2.125 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 812189489 AYRXAXXUHOKIFP-QGZVFWFLSA-N 431.541 2.496 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 916775428 SRBGQAUJKJSSCZ-KRWDZBQOSA-N 431.901 2.206 30 10 IEEE O=C(COC(=O)Cn1c(O)nc2ccccc21)NCC#Cc1cccc(C(F)(F)F)c1 919358880 XPCGTFXWVJPJCR-UHFFFAOYSA-N 431.370 2.472 30 10 IEEE COC(=O)[C@H](CCC(=O)N1CCCc2nc(C#N)ccc21)NC(=O)OCc1ccccc1 1130600471 CPSLSKYHQODLQJ-IBGZPJMESA-N 436.468 2.481 30 10 IEEE CSC[C@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1134507155 MZUPEKAAAWREHZ-WCIQWLHISA-N 441.553 2.365 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1142655718 UDJQBTQULMVVPT-ZOBUZTSGSA-N 428.938 2.118 30 10 IEEE CC(C)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1(CO)CCCC1 1143901805 GGKNGZMZLHZKRF-AZUAARDMSA-N 426.517 2.457 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1158294735 DWPZCYFFAXHJSL-IBGZPJMESA-N 429.498 2.421 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)Nc3cnn(C(C)(C)C(=O)OC)c3)ccc2c1=O 1161689259 GBURQOHEGAZRMK-UHFFFAOYSA-N 427.486 2.228 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccnc4ccccc34)CC2)cc1 1230793374 NHPCHMSCKNVRAJ-UHFFFAOYSA-N 449.536 2.365 30 10 IEEE C=CCn1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)nn1 1252077113 RNASADZWGVCUTB-KGLIPLIRSA-N 432.447 2.451 30 10 IEEE CCCCNC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1264969302 WIAHCGOHOXTLBO-YOEHRIQHSA-N 434.949 2.382 30 10 IEEE C=CCCSCCNC(=O)c1ccc(I)cc1-n1cnnn1 1278581650 PKVVEVWGNDMBPP-UHFFFAOYSA-N 429.287 2.306 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1286402361 ADDAQVMMQOMXDR-DEOSSOPVSA-N 433.512 2.046 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286542299 UDZURQAHHDHQCI-MRXNPFEDSA-N 444.337 2.284 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1286700405 MOEYLZACAPWULA-MRXNPFEDSA-N 425.580 2.275 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286706569 QAVKQAGUULAOLD-UZLBHIALSA-N 443.614 2.122 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286712330 WNKKRILEEONREC-HXUWFJFHSA-N 437.548 2.358 30 10 IEEE C=CCNC(=O)Cn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1286792642 DOXBSOIMBGHDBA-HSZRJFAPSA-N 443.548 2.414 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286959047 DBTPEBYZYNBPRV-KURKYZTESA-N 440.552 2.021 30 10 IEEE C[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291050994 YUYBLJMZIFTWNK-JZRSTAGNSA-N 435.532 2.415 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](OCCN3CCCC3)C2)C1 1294721603 XOWGMHNRWLYDLH-IBGZPJMESA-N 447.377 2.470 30 10 IEEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1297516091 NUYUBJGWTKSBIU-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2nccs2)c1 1300333112 VZXXHQACIDOMSF-UHFFFAOYSA-N 432.513 2.240 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300393869 HXOVPTFYLPXRHT-UHFFFAOYSA-N 447.547 2.075 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1300423357 MYTFVGKMIUFCTI-UHFFFAOYSA-N 443.573 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(CCCC)nc1C 1300505455 AHGDBZFDGCQWRB-UHFFFAOYSA-N 430.516 2.352 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCn1cc([C@H]2CCOC2)cn1 1300587979 ZKFWXSQRSRWGOM-IBGZPJMESA-N 449.584 2.497 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1300973164 VTAZLGGBAJWMIL-UHFFFAOYSA-N 446.596 2.238 30 10 IEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301000235 NUBVTFYLLXOFOC-GOSISDBHSA-N 427.505 2.399 30 10 IEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301030177 GQQAMHNREZYNGR-OXQOHEQNSA-N 443.983 2.472 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OC)C1 1301484158 CFOBDDZPOMPMDB-NSHDSACASA-N 426.340 2.296 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccc(F)cc2)C1 1301555641 XLKQZSAGPMKXIS-FGSXEWAUSA-N 429.496 2.057 30 10 IEEE CC(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cn1 1303510768 CVIKOYDNXKNHJD-NVXWUHKLSA-N 432.550 2.149 30 10 IEEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(C(=O)NCCn1cnc(C#N)n1)CCO2 1312661459 KUBQOFBISNVHHB-UHFFFAOYSA-N 427.465 2.101 30 10 IEEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1314786021 SPPYIAXYABISGI-UHFFFAOYSA-N 429.496 2.455 30 10 IEEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc(CO)nn2)CC1 1316535779 ZYAPBNDHDNUOTI-UHFFFAOYSA-N 442.474 2.061 30 10 IEEE Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)NCC(N)=O 1318189112 GEQDMCREWWNBJU-UHFFFAOYSA-O 443.549 2.071 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 1325913516 ITJZCYSTYLFOHG-GFCCVEGCSA-N 426.844 2.441 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1358947344 ZZFRTZIDTTXQKA-QGZVFWFLSA-N 435.532 2.020 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1358967138 DYGUNCCOQOFXHJ-PKOBYXMFSA-N 432.521 2.252 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC(F)(F)F)n1 1359028578 XAEGAJWUXLIVHE-OAHLLOKOSA-N 426.443 2.217 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)C(F)(F)F)CC1 1359031229 UVTPNFCFUUZGCD-LJQANCHMSA-N 429.487 2.274 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nc(C)c(C)s2)CC1 1359044964 SQOYPFVKHSCHCA-GOSISDBHSA-N 442.589 2.260 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359216219 RMGCIHUACATEPA-IERDGZPVSA-N 434.537 2.383 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1359279804 TXRGQZRUZVRPQA-UHFFFAOYSA-N 429.546 2.280 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359295813 OGTWVQNBYVNLCQ-GFCCVEGCSA-N 430.818 2.063 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1359476270 APTZCPDTUFUTRL-CVEARBPZSA-N 444.561 2.409 30 10 IEEE N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1437083808 PLSHEFHZIVNNTC-JOCHJYFZSA-N 426.494 2.167 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc(N4C(=O)CCC4=O)c3)C2=O)cc1 1440108029 AXWCNEIWXFTGIM-GOSISDBHSA-N 445.435 2.055 30 10 IEEE C=CCC1(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CCOCC1 1464036755 YEWNTGTVCUZGRP-UHFFFAOYSA-N 438.365 2.256 30 10 IEEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1466736185 HLRSVJOQDVACGZ-HIFRSBDPSA-N 430.534 2.270 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1 1468794273 DDHPHEIEFHZOJO-UHFFFAOYSA-N 438.431 2.353 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)NOc2cccc(C#N)c2)(C(=O)OC(C)(C)C)C1 1471086105 SUHCZESECTXXBO-JOCHJYFZSA-N 447.488 2.316 30 10 IEEE COc1ccc([C@H]2COCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1471436675 PFRUURJEFOYYCI-LJQANCHMSA-N 443.525 2.114 30 10 IEEE Cn1ccnc1[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)(C)CO 1475320481 FNLWTNPVWUQPRD-AWEZNQCLSA-N 445.314 2.231 30 10 IEEE C#C[C@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC)[C@H]1CCCO1 1478479660 RTEMJFSRBQGWPR-QANKJYHBSA-N 425.323 2.089 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1502389504 GOJQEIVCOZOQFE-IBGZPJMESA-N 440.548 2.365 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)cc1 1504322772 HBXYJHZMHIHHPN-UHFFFAOYSA-N 448.474 2.377 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507571492 CQMKFEFQPAKYTD-MLNNCEHLSA-N 445.608 2.353 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1507581422 VLJHPEPCCRPIPO-PBHICJAKSA-N 446.437 2.490 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1507593499 QLHQTEVYKUHOTD-UHFFFAOYSA-N 440.592 2.433 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1507618313 KBHWZKYAPVWULU-JOCHJYFZSA-N 445.564 2.274 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1507645881 GZKLPKKRNQUAQW-UHFFFAOYSA-N 441.539 2.426 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N[C@H](C)CC 1507671207 FSPJUGMSSNVKJZ-LJQANCHMSA-N 431.544 2.284 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1507847418 MHBGVQROMZKVNS-UHFFFAOYSA-N 443.596 2.427 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1507915441 VGUAXVVOOZQWDF-HZPDHXFCSA-N 435.598 2.218 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1507982057 LPQHSJLXHSFLDR-LYBXBRPPSA-N 445.589 2.427 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](COCC)C1 1508073561 OBHAGMGQAPQIPZ-MRXNPFEDSA-N 428.493 2.408 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(N)=O)C1 1508076024 RLLPLKDMBSATME-CABCVRRESA-N 446.939 2.075 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508092417 BULGGUUBPFCEKF-IRXDYDNUSA-N 429.496 2.161 30 10 IEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1508741256 ZRRCELLJQURZAC-DLBZAZTESA-N 427.461 2.004 30 10 IEEE Cc1cccc(-c2nnc(N(C)CCC(F)F)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511084650 AEWHCFBUHMXBIM-ZPHPHTNESA-N 431.447 2.266 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CCO1 1512496272 DGOXSDHGNFZLCF-MRXNPFEDSA-N 436.520 2.349 30 10 IEEE Cc1c(C#N)c(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 1526081209 OROGVPRGGNVLBA-UHFFFAOYSA-N 427.442 2.287 30 10 IEEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)NCCc1ccccc1 1532916362 ACNVUQFXGFLSSD-MAUKXSAKSA-N 438.915 2.428 30 10 IEEE COc1ccc([C@H]2COCCN2C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1536076108 GUKCUFDXGAWYMC-LEWJYISDSA-N 448.479 2.372 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(F)(F)CO1 1539421492 UEJWRLJYUYFJQY-QGZVFWFLSA-N 430.459 2.027 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CC1 1539441530 SEGRLXGDNRIRAD-UHFFFAOYSA-N 434.454 2.348 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1539497591 MDOIQEYJKFIDHK-UHFFFAOYSA-N 425.558 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1539557043 KOBWSFDHZBCQLA-DENIHFKCSA-N 447.605 2.494 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1540069939 ZWBHUFGQGQBPBL-UHFFFAOYSA-N 445.474 2.069 30 10 IEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1540910064 WJCFLDMRDMXOJL-CYBMUJFWSA-N 427.621 2.432 30 10 IEEE CC(C)Cc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541439480 UIUYHWKXDAUUKU-UAFUQJIBSA-N 442.564 2.134 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1547633298 UTVXIHDQZNGDNL-VQIMIIECSA-N 436.520 2.250 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1554242167 CFBFZLZWPZCUJS-LAUBAEHRSA-N 429.546 2.069 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1555154278 AKXUHWYFXNDITC-PBYQXAPXSA-N 429.546 2.255 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1555240518 HEEHWKDSLQYPTE-VGSWGCGISA-N 427.505 2.007 30 10 IEEE C#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1556833142 REBVAVLIUJEWNT-AWEZNQCLSA-N 437.861 2.163 30 10 IEEE C[C@@H](CC(=O)N(CC(=O)OC(C)(C)C)C1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1557292146 BHSSQUBBTLAEFU-AWEZNQCLSA-N 435.546 2.227 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 1557384219 KFAPDJJTHNDUMC-IBGZPJMESA-N 431.489 2.287 30 10 IEEE COCCCS(=O)(=O)NCCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1560192817 NJGJRPXQSLXBRI-NXEZZACHSA-N 448.376 2.045 30 10 IEEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 1564924245 HRHSLVHVOURNIR-UHFFFAOYSA-N 425.510 2.087 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 1586755020 WCLSLPUMTMNDOC-MRXNPFEDSA-N 433.553 2.318 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)c3cc(C(=O)OC(C)(C)C)nn3C)c2C#N)C1 1586962041 LYDGTBQMMWCNHY-UHFFFAOYSA-N 429.502 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1587667778 MKIBFRLMEJXQMZ-KYAFNBKBSA-N 448.527 2.458 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1587975193 RMDDCBPNXYESEE-QHCPKHFHSA-N 436.516 2.111 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1588763420 XNJCLUZRVMHMLA-HSZRJFAPSA-N 440.617 2.146 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1588967991 DJMVSAKWNXPTOI-HXUWFJFHSA-N 440.617 2.493 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1594802794 HJLASBQTMZGOEQ-JTSKRJEESA-N 443.552 2.375 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1)C1CC1 1595058579 PWXANLORQFREER-OSICKASQSA-N 443.573 2.479 30 10 IEEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1597180508 BPVTXACTICZFNQ-LZICOFPGSA-N 436.520 2.134 30 10 IEEE C#CCN1CCN(C(=O)CN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)CC1 1618273669 LIJATAYLNWQEEI-NRFANRHFSA-N 428.577 2.400 30 10 IEEE COCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1619841914 CGBLXRQLXIQCMX-IBGZPJMESA-N 435.529 2.025 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@H]1C 1619968339 GQMRWKPKEWDJTI-HYFFOGBASA-N 429.521 2.050 30 10 IEEE CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)n1 1622843242 DJHQRHPSSAXXEF-UHFFFAOYSA-N 434.905 2.224 30 10 IEEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1)c1ccccc1 1624013861 ROCRACIFZYVIMP-GOSISDBHSA-N 445.497 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 1628767400 NSAJLSCSHYZOMV-WMZHIEFXSA-N 430.549 2.327 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1cccnc1)C1CCCC1 1636371526 MFMJBDSOYHAKNH-LJQANCHMSA-N 426.542 2.428 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CF)CCOCC1 1636865496 BSUSLTKBKJGUMZ-INIZCTEOSA-N 425.526 2.166 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)c1cc2c(s1)CCCC2 1639757503 PBJCFENCRYAIGB-CYBMUJFWSA-N 431.539 2.164 30 10 IEEE COc1cc(C=O)ccc1OCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1639985620 SEXMOTNPVMCNIS-UHFFFAOYSA-N 445.479 2.497 30 10 IEEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4ncc(C#N)cc4F)CC[C@@H]32)CC1 1640028890 DPWXWQHLNLUABX-ROUUACIJSA-N 444.511 2.464 30 10 IEEE CN(C)C(=O)[C@@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1642635315 SJJPSMHNCGPVEO-MJGOQNOKSA-N 426.517 2.329 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)cc1 1642752598 WESFNQXAGFHVDH-IPMKNSEASA-N 445.338 2.429 30 10 IEEE C#CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2I)CC1 1645781163 DQVVRSBVJTZWOF-UHFFFAOYSA-N 434.281 2.304 30 10 IEEE COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 1648812853 NQMZWVHOOQUQFX-IBGZPJMESA-N 429.498 2.019 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)O1 1649588193 DFIKHZDBYISXJU-SELNLUPBSA-N 438.532 2.116 30 10 IEEE N#CC1(CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CCOCC1 1666094027 DRCCWOTXSSHWST-UHFFFAOYSA-N 435.546 2.275 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1CCCc3cc(C#N)ccc31)CCS2(=O)=O 1673750765 UFWXLKRGVSYFAJ-GYPPFNJCSA-N 445.541 2.134 30 10 IEEE CNC(=O)[C@@H](CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)Cc1ccc(F)cc1C 1673920121 NBAONEWUVHFIPD-CTNGQTDRSA-N 426.492 2.286 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(CO)(c3ccccc3)CC2)C1 1681226275 DPSNEHDOKUYTPQ-MJGOQNOKSA-N 428.533 2.481 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1689998808 XCDIFGXYLZSONG-UYAOXDASSA-N 444.557 2.203 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1Cc1cccnc1N1CCOCC1 1690099028 ZVLZVCWMSPTERT-UHFFFAOYSA-N 432.528 2.311 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NCCC)CC1 1690114786 HNKOPEUPQWASSG-UHFFFAOYSA-N 446.502 2.218 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1690175318 UQKBLMGSSVXULX-QAPCUYQASA-N 428.514 2.156 30 10 IEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O)c1ccccc1 1690321534 DZZMOGYDTCTRHE-UHFFFAOYSA-N 431.562 2.098 30 10 IEEE C=C(Cn1c(COCC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 1690325652 DNDWEMJHBTUNNT-UHFFFAOYSA-N 433.578 2.388 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@@H]1CO 1690531907 CFAHTTPTUABCQE-OAQYLSRUSA-N 438.576 2.028 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1690672895 HBPXWWKNVOPMJM-AZUAARDMSA-N 425.533 2.328 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1690680971 BMBWUBYNORDLPE-LJQANCHMSA-N 449.559 2.420 30 10 IEEE CC(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1692022271 ABVRSADIVODKJK-XMSQKQJNSA-N 438.532 2.068 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCOC1 1692575956 LSSPSDYVHOVKLY-JOCHJYFZSA-N 436.520 2.004 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNC(=O)C(C)(C)C 1694733946 CXAVKVBIWFJYAF-UHFFFAOYSA-N 427.528 2.340 30 10 IEEE CCSCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1696564823 VBKXIEYDWFZFMH-CQSZACIVSA-N 425.518 2.466 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1698493854 BFKRQSRZGSZIHT-UHFFFAOYSA-N 429.488 2.100 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1705533359 LTWIEZJKZAALME-QUCCMNQESA-N 434.544 2.289 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCc1n[nH]c(C)n1 1705622994 CCLBBQMKWBCAKC-UHFFFAOYSA-N 444.337 2.463 30 10 IEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705663841 DVOJHJRQAYPOSM-HKUYNNGSSA-N 425.558 2.247 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1705710911 ULDOTUGETAQNQH-KSSFIOAISA-N 427.596 2.260 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705832045 LOGXPTOOYGUSQT-UGKGYDQZSA-N 430.553 2.117 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705932455 DRUQINMWKUYYHI-IRXDYDNUSA-N 433.553 2.358 30 10 IEEE CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1708312103 TZZIRCKXYZJPSE-UHFFFAOYSA-N 436.564 2.430 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1709142066 OMIYTCWLSKFKAP-HSZRJFAPSA-N 435.507 2.481 30 10 IEEE CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1710903145 JFIPJBZETBIDHH-LJQANCHMSA-N 444.561 2.110 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)c1 1711703249 KWISEKYQWRMFLP-SJORKVTESA-N 435.431 2.115 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1722296040 MZHMQBINFRHPNY-BBWFWOEESA-N 432.546 2.114 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCNC(=O)c2cc[nH]n2)c1 1722305884 WBQQEOPJAOKREK-MRXNPFEDSA-N 448.531 2.001 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722370367 NPZFOIYQAMJYNV-OKZBNKHCSA-N 444.557 2.148 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)on2)CC1 1722442934 IUXCVLITTQVEGA-UHFFFAOYSA-N 434.500 2.264 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC1COC(C)(C)OC1 1722458509 LXVANTWZPDBUTL-UHFFFAOYSA-N 447.561 2.208 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722459512 LPYXAPBVTHSDDS-RBUKOAKNSA-N 433.622 2.228 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722528368 ZUSVUBYPFOWRDP-GOSISDBHSA-N 448.612 2.388 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H]2C)CC1 1722580589 DSVVSRDBFKLZLN-WDSOQIARSA-N 437.610 2.450 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1722631806 XMPIWDZLZGDWOB-CQSZACIVSA-N 430.534 2.116 30 10 IEEE CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1723254061 BUIUZYJVHQBEGT-WAOWUJCRSA-N 436.626 2.287 30 10 IEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1728724561 GUSKIYJYCDSULZ-UHFFFAOYSA-N 448.531 2.219 30 10 IEEE CSC1(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCN(C)CC1 1731059461 BZFNSKRZFWZGHA-UHFFFAOYSA-N 426.594 2.007 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1740958561 QMRGVUPYGSQFQG-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C)C1 1740988682 MSZDYEGKLZZDSB-MRXNPFEDSA-N 427.530 2.319 30 10 IEEE CC(C)C1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741395313 YPPDEMSMAUYVKQ-VZCXRCSSSA-N 436.520 2.134 30 10 IEEE CC(C)N(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741609806 JUPSYVZPIVDDDB-HXUWFJFHSA-N 438.580 2.106 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCc2ccco2)n1 1742704624 WTUNCZALERFGRI-QFIPXVFZSA-N 436.520 2.179 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)C1 1746536626 GDYFJJMKMMQGGB-SFHVURJKSA-N 448.618 2.476 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1748840474 BSFSAZFGIRQZKX-UHFFFAOYSA-N 427.512 2.338 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 1748914887 KZCSFQZIYFOVFP-UHFFFAOYSA-N 448.936 2.166 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(OC)CCOC1 1748960214 DOTILPWRCYGTAF-HSZRJFAPSA-N 437.500 2.492 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749027646 QSOBUFCQJNKJIE-GOSISDBHSA-N 429.546 2.041 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1749285559 OMSHYDCCGIGWLV-QFIPXVFZSA-N 444.967 2.085 30 10 IEEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)CC1 1749343005 VDSWENFNJGZWPF-LJQANCHMSA-N 447.561 2.132 30 10 IEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1749559875 AOHHDYIWUYPCRA-IRXDYDNUSA-N 433.582 2.149 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1749951204 UPMRMEWNEKNAQF-ZBIUQXJRSA-N 446.552 2.011 30 10 IEEE Cc1ccc(C(=O)NCCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1F 1751441236 DBQCBVOOCZYLLB-UHFFFAOYSA-N 448.506 2.057 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760144686 YLOOVFALXXUXIR-HNNXBMFYSA-N 435.454 2.412 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189684 KYLGVLDUIIFCFY-OALUTQOASA-N 447.630 2.222 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H]2CCOC2)CC1 1760271701 HMAWAHLXFBTLGN-QGZVFWFLSA-N 442.589 2.026 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1760323297 BYNJQINGCJQVGL-SIKLNZKXSA-N 431.581 2.287 30 10 IEEE C=CCCCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760442769 IEHRTHCMGUAVAU-UHFFFAOYSA-N 428.581 2.137 30 10 IEEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760452989 UICWHXIWDDQEQC-SIKLNZKXSA-N 444.624 2.202 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCOCC1 1760753216 RENVAFOHQKWNKK-UHFFFAOYSA-N 440.548 2.333 30 10 IEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)OC 1762426524 YGMSSYFCCTYNIJ-VGOFRKELSA-N 440.504 2.185 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCC[C@@H](C)C2)CCOC1 1762922077 WCQGGBSBWLXDMZ-STZQEDGTSA-N 434.560 2.493 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCC1 1767633534 BBGMOKYQRXULNY-GOSISDBHSA-N 440.548 2.469 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1768281185 OBOVSHCQRUTCIQ-HOTGVXAUSA-N 448.618 2.476 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCC2)CCO1 1769260164 XNEGFQMYCNNZOV-UYAOXDASSA-N 436.516 2.036 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)C[C@H]1C 1769899201 AUOPINZCTIZPNU-GCJKJVERSA-N 437.592 2.314 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1771348411 VQUCPAAEJNSJDK-UHFFFAOYSA-N 440.573 2.092 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772791533 AHHIGMUVPCYKIR-KRWDZBQOSA-N 448.522 2.149 30 10 IEEE CN1O[C@@H](CC(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)N(c2ccc(Cl)cc2)C1=O 1851569249 JFQZJWCOPZXDCD-WMZOPIPTSA-N 443.847 2.490 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCC[C@H](n4cnc5ccccc5c4=O)C3)cnc2c1C#N 1852010465 OHRVGBRKSGVALQ-INIZCTEOSA-N 427.468 2.405 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCCc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854646499 YCFGGRXUDIUTEY-KRWDZBQOSA-N 425.510 2.329 30 10 IEEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C2)CC1 1855837191 HAHKWTBCXQIDLB-DOTOQJQBSA-N 432.908 2.127 30 10 IEEE COc1cccc2sc(N(C)CC(=O)N3CCN([C@@H](C)CCC#N)[C@@H](C)C3=O)nc12 1856282966 PMOJFWXPPJCVMB-GJZGRUSLSA-N 429.546 2.493 30 10 IEEE C=CCn1nc(C)c(I)c1C(=O)N1CCC[C@@H](C(=O)OCC)C1 1871336362 MGMYOTZMIZHBIR-GFCCVEGCSA-N 431.274 2.397 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874340827 VKYDEHWBKRDADM-PZUDMAOCSA-N 432.506 2.267 30 10 IEEE COC(=O)c1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc1 1874377591 DIPCVWLSSQKQMV-FOKLQQMPSA-N 427.461 2.254 30 10 IEEE C=CCC1(NC(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993253674 KYOAESVMPOOQNI-AWEZNQCLSA-N 427.542 2.332 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060641743 MNKFIHNMUQMYJS-FIDHJVLJSA-N 436.358 2.467 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C 2235731253 WQMJHRIGHNQGHI-KURKYZTESA-N 439.350 2.385 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243416896 OCKIVQDBMWXKEM-HNNXBMFYSA-N 430.376 2.493 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)C1 2247554353 BGMQLMXDZMNONB-UHFFFAOYSA-N 439.553 2.029 30 10 IEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247952015 LRLMNELAQVJYNP-UHFFFAOYSA-N 440.371 2.179 30 10 IEEE C=C(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)B1OC(C)(C)C(C)(C)O1 2248404155 KNBQXWFJTVNWRW-AWEZNQCLSA-N 426.319 2.089 30 10 IEEE CC(C)(C)OC(=O)NC12CCC(CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)(CC1)OC2 2255594999 NUZBMLRGGAEXHY-UHFFFAOYSA-N 434.342 2.344 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2255603443 DQNWKNDSTHOTIX-CQSZACIVSA-N 434.346 2.180 30 10 IEEE C[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2255631855 FRTFXTBEYAIZDD-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE Cn1cc(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120361 JHKOUNWLXHGSJS-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2267140978 UPWJQNGAKRQQGR-GJZGRUSLSA-N 448.373 2.332 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2267141058 VEPDGWBKHMBMDX-GJZGRUSLSA-N 448.373 2.426 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)n1 2267148697 CHKUZVLVZMTJFC-HZPDHXFCSA-N 446.357 2.036 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267243342 VEOUGZUQFXTRTE-MSOLQXFVSA-N 446.353 2.004 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC1(C)C 2267495350 LHTMXKXWWQHSIH-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2267509443 WALLUGMMXPKRFT-UHFFFAOYSA-N 443.275 2.119 30 10 IEEE Cn1cc(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267520746 OMTWQTLANLQVFT-QFIPXVFZSA-N 448.373 2.239 30 10 IEEE C=CC1(NC(=O)c2nn(CC)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267529349 YYGVZRRWTTWHDN-UHFFFAOYSA-N 446.357 2.108 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C=CCN1C(=O)OC(C)(C)C 2267541124 ZLBMCVXZBIXBCD-HNNXBMFYSA-N 446.357 2.108 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267573814 NTQGWBBYOQWGKS-RUZDIDTESA-N 436.361 2.353 30 10 IEEE C=CC[C@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2270527791 BKQGTTLYTSKNKQ-CJNGLKHVSA-N 438.424 2.183 30 10 IEEE COc1[nH]c(=NCC2(F)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503772 RAGPKWOYRARLDQ-UHFFFAOYSA-N 437.321 2.182 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2319669725 QCXHVVXILTVQCH-UKRRQHHQSA-N 435.334 2.076 30 10 IEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc([N+](=O)[O-])c1 2329035008 VSJRRYIMJFZNPB-AWEZNQCLSA-N 446.489 2.058 30 10 IEEE COc1cc(OC)c(OC)cc1C=Nn1c(SCC(N)=O)nnc1-c1ccccc1 2330657783 TZZYQWSPAAJTIU-UHFFFAOYSA-N 427.486 2.431 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3C(=O)OCC)cc2C1=O 3525635 PDNLJXSOVZSSQC-UHFFFAOYSA-N 436.420 2.441 30 10 IEEE Cc1cc(C)nc(N/C(=N/C(=S)NC[C@H]2CCCO2)NCc2ccc3c(c2)OCO3)n1 14157884 CBJWKGCKQXPXMJ-MRXNPFEDSA-N 442.545 2.433 30 10 IEEE C=CCS(=O)(=O)CC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC 71555119 ZTIHGCDGPAKFPV-UHFFFAOYSA-N 430.548 2.255 30 10 IEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(O)cc2)cc1 103100938 PICTZUPABGHIER-LCPUNJGISA-N 427.453 2.222 30 10 IEEE N#CC1(CS(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1 477546701 DWWHVUQYICCDDU-UHFFFAOYSA-N 437.996 2.122 30 10 IEEE CC(C)C[C@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478030229 XMGNGNODDVOVMB-RTBURBONSA-N 434.562 2.168 30 10 IEEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)CCCC1 480872030 IRTBDZMCTWEOAN-HNNXBMFYSA-N 431.436 2.472 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCNC(=O)[C@@H]2c2ccccc2Br)c1 502555517 XWPJNTPBMDVQRM-SFHVURJKSA-N 448.342 2.268 30 10 IEEE C=CCSCCNC(=O)C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 514805139 LQBHCEFLFOOSKI-KRWDZBQOSA-N 441.557 2.403 30 10 IEEE COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546207675 CUKOSORPEGBHKE-GOSISDBHSA-N 439.903 2.378 30 10 IEEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1 549403000 ZMKLJECWOPLXLB-INIZCTEOSA-N 436.603 2.377 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)C(=O)C1 549685774 SEZSSUMDWOVJIM-SFHVURJKSA-N 431.924 2.444 30 10 IEEE C=C(C)Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 555253420 DATSIOSGOMJUKO-UHFFFAOYSA-N 448.549 2.472 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1Cl 557849472 OSQQCIJMEMGVPY-GJZGRUSLSA-N 431.901 2.409 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 580603810 VUUMQKJQXILSGN-APWZRJJASA-N 431.562 2.248 30 10 IEEE C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 585473610 ZSJIAZBZQCQVNX-KRWDZBQOSA-N 426.546 2.238 30 10 IEEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccccc2C)c1=O 590943532 JZZWUIUYPJGRCD-UHFFFAOYSA-N 447.560 2.491 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c(F)c1 609229332 GBZRQACSLKLTAK-MRXNPFEDSA-N 446.460 2.323 30 10 IEEE CCOC(=O)c1c(NC(=O)c2csc(-c3ncccn3)n2)c(C#N)cn1CCOC 611467934 OUPHFJZFNDLMQS-UHFFFAOYSA-N 426.458 2.349 30 10 IEEE C[C@H]1[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1Cc1ccccc1 619588039 MNXKRMXLLPXEHJ-UWJYYQICSA-N 432.528 2.411 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CC1 727625638 DITOUMCSZHMPON-UHFFFAOYSA-N 440.525 2.327 30 10 IEEE COC(=O)[C@H](OC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1ccc(C#N)cc1 740201655 ZRWGPDVYSUBPIV-LJQANCHMSA-N 430.482 2.497 30 10 IEEE C[C@H](NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 745497817 SSAAMWSKZXFYQO-KGLIPLIRSA-N 447.488 2.063 30 10 IEEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)NCCNc2ccc(C#N)cn2)C1 745531391 WQEZGVDQZCBZST-HNNXBMFYSA-N 426.443 2.198 30 10 IEEE COc1ccc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1C#N 747204770 MLJDHYVJWAQEIY-UHFFFAOYSA-N 431.518 2.205 30 10 IEEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 749552569 VLWONTYYSFUVKL-XLSIIYIISA-N 427.501 2.055 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cnc(C2CC2)nc1 756083611 DETNLFRHVZLRPA-SFHVURJKSA-N 441.557 2.166 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)c2C)c1 758052579 FAJIPONXCJMTBZ-IBGZPJMESA-N 442.589 2.237 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C)c(F)c2)C1 760305589 TYTNGXXAOKQLON-ZBFHGGJFSA-N 435.525 2.006 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc2c1=O 761039206 YWDQVZRSFGHXPG-UHFFFAOYSA-N 432.509 2.100 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768044580 INPOXJJPKFHIJT-ABKXIKBNSA-N 440.369 2.432 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 769854154 KKUYCHBNLWTCHN-CQSZACIVSA-N 441.481 2.054 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 781002411 UPBNEBHVJBDICR-INIZCTEOSA-N 428.388 2.080 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc2c(c1)OCO2 783042473 PAVXLRITIZVSLT-CQSZACIVSA-N 427.404 2.439 30 10 IEEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1CCCOCC1 786310892 CQVYSDICLXJRQB-VQIMIIECSA-N 433.530 2.325 30 10 IEEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(Cc3ccccc3)c2Cl)c1=O 790110675 BQLODCDYXVKYTE-UHFFFAOYSA-N 438.940 2.217 30 10 IEEE C=CC[C@]1(C(=O)NCC(C)(C)N2CCS(=O)CC2)CCCN1C(=O)OC(C)(C)C 790638023 ZGVUXROPAQMTHQ-OAQYLSRUSA-N 427.611 2.291 30 10 IEEE CN(S(=O)(=O)Cc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 790820016 QGPRPGAGKICZQZ-UHFFFAOYSA-N 447.853 2.409 30 10 IEEE N#CCCNC(=O)COC(=O)c1cc(Br)cc(I)c1 803864379 KHROPJJLAWBPAK-UHFFFAOYSA-N 437.031 2.240 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1)C(C)(C)C 805146786 LVJDLMQUQIIRCV-CYBMUJFWSA-N 435.283 2.404 30 10 IEEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 805782427 LHLLNWICPHBLPI-FQEVSTJZSA-N 444.557 2.332 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)cc1 918704700 PKOFXNBSPNDDDE-UHFFFAOYSA-N 438.303 2.265 30 10 IEEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1c(F)cccc1F 1084188265 LZHIOIBUQJULOA-UHFFFAOYSA-N 448.415 2.355 30 10 IEEE CN1CCN(C)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1156962014 CGMLWHZZQUBCTD-NRFANRHFSA-N 441.576 2.098 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 1161353040 XVLUWHJIFBIDQA-QGZVFWFLSA-N 428.470 2.151 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1286322915 HSZKNWZSOWKHNS-SFHVURJKSA-N 425.599 2.285 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OCC)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286397652 UAFHEEVSPDVOER-FGTMMUONSA-N 444.557 2.463 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)C1 1286799931 CGYJVVATRBHLSP-RZFJCUDFSA-N 433.597 2.453 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1286964921 GJZVWWJHGZTEHD-ZDUSSCGKSA-N 431.447 2.070 30 10 IEEE C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)N(C)C1CC1 1288607406 QZTRAKXNRGIWTG-CJNGLKHVSA-N 448.369 2.258 30 10 IEEE C#CCN(C(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1293513171 BQJPWGFQMFMRGM-ZBFHGGJFSA-N 429.336 2.192 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1300348693 OZVTZOKBPUSNBI-IBGZPJMESA-N 447.547 2.219 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300449756 XBMLYTNYYMEQIQ-MRXNPFEDSA-N 432.546 2.247 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)c1ccc(C)s1 1300522876 OVNYZPJSFAMNOR-UHFFFAOYSA-N 439.566 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1c(F)cc(F)c(F)c1F 1300591113 LFGSFVRMJLLKDT-UHFFFAOYSA-N 433.409 2.468 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCNS(=O)(=O)CC 1300809190 UZALMULSSCZDOK-JOCHJYFZSA-N 445.589 2.199 30 10 IEEE C=C(C)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300965811 ZYQTYBACROGIRB-HXUWFJFHSA-N 426.583 2.298 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1301222607 AUGIHXOODFQOIL-FQEVSTJZSA-N 440.548 2.015 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1301348677 GQNVTYXVWWKKEF-LJQANCHMSA-N 441.561 2.055 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1301474749 HFNGHOHETRSDTL-CQSZACIVSA-N 432.475 2.292 30 10 IEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1301608978 CIHUVGZHFAWFMP-UHFFFAOYSA-N 441.561 2.474 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301610296 UWSSBFNXUDPNEV-DYESRHJHSA-N 431.537 2.385 30 10 IEEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1 1301946555 VWAITKNDORUECN-WBVHZDCISA-N 426.521 2.426 30 10 IEEE Cc1nc(Cc2nnc(N3CCC[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1304668361 CVTBZZRBKCAMCY-YISVQYQQSA-N 441.561 2.397 30 10 IEEE Cn1cc(C#N)c(=O)n(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)c1=O 1307285280 CZMRCFZBNDEQMN-UHFFFAOYSA-N 438.241 2.433 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1312948692 QASYZQIIIMGNCR-XCLQVSSVSA-N 445.541 2.136 30 10 IEEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1314638142 NCRDVGSDRZPMTH-UXHICEINSA-N 449.559 2.038 30 10 IEEE C[C@@]1(c2cccc(CNC(=O)NCCSCc3ccccc3C#N)c2)NC(=O)NC1=O 1318145845 ZDKJCCXWKLHLTO-QFIPXVFZSA-N 437.525 2.345 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc(C#N)ccc1C 1351455896 CNMJKMVRFPQSRM-UHFFFAOYSA-N 428.514 2.064 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)C1 1358916600 QTBKDARXCORZTH-UHFFFAOYSA-N 442.589 2.378 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359054295 QDVFELHDDXSGJS-UHFFFAOYSA-N 442.574 2.346 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1359167662 OWSQPZGGIZIDLJ-SSEXGKCCSA-N 427.574 2.484 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1359280672 AIINFDUXFLIMRE-UHFFFAOYSA-N 448.524 2.169 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1c[nH]c2ccccc12 1359303148 FRENRUXAFPQJKA-UHFFFAOYSA-N 435.532 2.211 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359455618 WOZSTGCCBNLVAH-QGZVFWFLSA-N 437.548 2.036 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359630977 KZJDXKXDVPRCMH-HXUWFJFHSA-N 449.559 2.180 30 10 IEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)c1ccccc1 1437071348 KOTTWHZCMHXEJY-FQEVSTJZSA-N 440.521 2.365 30 10 IEEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1456207223 GQNWOOUTZZNDHP-JJDSTIRJSA-N 439.578 2.056 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1I 1470096527 OTLFHUJSQIVRNX-UHFFFAOYSA-N 427.271 2.218 30 10 IEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1472148924 MWECQWKTNVNANA-FQEVSTJZSA-N 427.526 2.107 30 10 IEEE CN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1503433016 RTOYDCTVFAHLNP-ZBBYCGENSA-N 430.578 2.479 30 10 IEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1503810203 DXMIBWWAWDVBDB-QGZVFWFLSA-N 437.529 2.296 30 10 IEEE CS(=O)(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1505135062 YDVXSYPFNYEQOT-RTBURBONSA-N 445.545 2.014 30 10 IEEE CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1505145986 HOKAAMZXQIWPJW-FQEVSTJZSA-N 442.589 2.111 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)nc1 1507520193 BDLJEPMJFNCGOS-QGZVFWFLSA-N 438.557 2.405 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)C1CC1 1507542979 TXIMOWOOLAAWQT-NBGIEHNGSA-N 436.604 2.262 30 10 IEEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507574353 OIPXCPYXZUCFMW-YADHBBJMSA-N 431.537 2.153 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 1507971640 BHDWJIBORMAOLC-INIZCTEOSA-N 426.546 2.430 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508061745 MCAKOYURQHYXJO-LJQANCHMSA-N 430.503 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](COC)C1 1508140954 KPBORLKWLPPDKX-MSOLQXFVSA-N 426.583 2.026 30 10 IEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NCC)CC1 1508159354 UBODJWGSELEHLN-UHFFFAOYSA-N 444.561 2.445 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1508423014 KQSBAZIBPNPOCZ-OAHLLOKOSA-N 429.550 2.181 30 10 IEEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1=O 1514954646 UBBYZNRSUMOTKM-UHFFFAOYSA-N 442.589 2.381 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2c3c(nn2C)CCSC3)c1 1516186069 WKDHOFYJPKJPPN-OQKWZONESA-N 433.559 2.275 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1518960700 KLNQBSXFPPYXIU-QHCPKHFHSA-N 443.548 2.440 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC2CCOCC2)c1 1521076520 ZQZBHNKXVDBATD-LJQANCHMSA-N 438.532 2.104 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(OC)c(I)c2)CC1 1525838352 QCOLJURLTSYEMP-UHFFFAOYSA-N 428.226 2.219 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C#N)cc(C)n2)CC1 1527214469 IERSZLPQXUPQIB-UHFFFAOYSA-N 442.497 2.088 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)cc1 1530262616 FSWXWKIJCCBVKR-LEWJYISDSA-N 430.574 2.092 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCC(=O)N1CCOCC1 1539035426 PBTISKMFUGSGQY-KRWDZBQOSA-N 443.573 2.286 30 10 IEEE CC(C)(C)c1cc2n(n1)CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1539191445 CFJWJSIPZQWWBA-SFHVURJKSA-N 434.500 2.300 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F 1539669508 RWPNXJAIVLWZGP-UHFFFAOYSA-N 448.522 2.236 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1540567466 NEHKGNNSQBBLFB-KRWDZBQOSA-N 426.542 2.484 30 10 IEEE C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1541858784 NUTRTPXVULOXCH-QVKFZJNVSA-N 434.466 2.310 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 1543364809 XIYVVTJAXLWRJG-AWEZNQCLSA-N 429.926 2.259 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1545777164 SXVKQCZVZHJAMZ-GFCCVEGCSA-N 445.405 2.317 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1547221360 AGVBNKTWHFWHDL-IBGZPJMESA-N 447.547 2.229 30 10 IEEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1554135917 HLUFRLIRIXEUCE-UHFFFAOYSA-N 440.548 2.493 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC)nc2)cc1 1554978614 AVHSKSWBDLVDIV-IBGZPJMESA-N 436.472 2.046 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2OCC(F)(F)F)c1 1556363432 MJGLDFJJVKGAGH-UHFFFAOYSA-N 431.367 2.389 30 10 IEEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 1556642928 AWPXHDIHHSOELP-QRWLVFNGSA-N 439.871 2.260 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1556973348 DVOGZZSEQAFGES-KRWDZBQOSA-N 429.454 2.178 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1587641042 WPNGKCKBFUNCLJ-WAOWUJCRSA-N 425.533 2.095 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1COCCO1 1587667164 DDMKBEQXDDAJMX-PBHICJAKSA-N 435.322 2.493 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1587705447 DNSFSPLTQLKAAC-MRXNPFEDSA-N 431.562 2.263 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1588045280 ITNGVDYOQPHTDO-QZTJIDSGSA-N 448.639 2.420 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cn(C)nc1I 1588079910 BVGPPRKVRTYQTF-UHFFFAOYSA-N 433.213 2.038 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1594687560 UHMMXQHSKDQBHQ-OAHLLOKOSA-N 445.593 2.180 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1595475413 CHXLJLGUWPSHHH-LJQANCHMSA-N 445.589 2.136 30 10 IEEE CN(C)CCn1nccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1596611124 GXMHEWHVXWLUOZ-GFMRDNFCSA-N 446.577 2.290 30 10 IEEE O=C(NCC#C[C@H]1CCCCO1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1606801307 IDLQCXRSGNTOKQ-QGZVFWFLSA-N 426.485 2.054 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@]3(CO)c3ccccc3)C2=O)cc1 1607673994 LNEIAPPBFWRPLR-RDPSFJRHSA-N 432.480 2.273 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1618952264 FJUHCQJYYKKIHF-GCJKJVERSA-N 426.496 2.214 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@H](C)O1 1619753875 GFGIXWHRKNCPQL-LPHOPBHVSA-N 429.521 2.130 30 10 IEEE N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2I)nc2n1CCOC2 1623340534 XZZPSVSQHFTBCY-UHFFFAOYSA-N 439.169 2.050 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCN(c2ncccc2C#N)CC1 1623669466 QBQAHGQHDQBTRB-IBGZPJMESA-N 436.516 2.133 30 10 IEEE C=CCN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)[C@H](Cc1ccccc1)C(=O)OCC 1625219962 CFURKFDKUZCAAW-QHAWAJNXSA-N 437.496 2.146 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 1625424730 KCOTWGWTRDJFEA-UHFFFAOYSA-N 426.517 2.212 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2coc(-c3ccc(OC)cc3)n2)cc1 1626350631 XTJFAHZVTKNEPS-UHFFFAOYSA-N 439.493 2.234 30 10 IEEE C[C@H]1CN(Cc2ccc(CN(C)C(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)C[C@@H](C)O1 1628164062 KYBGYXKSJZFSDY-FUSAGRRXSA-N 440.544 2.171 30 10 IEEE Cc1c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(=O)n(C2CCCCC2)n1C 1628268859 SUGMSPVDECSLNV-UHFFFAOYSA-N 445.545 2.068 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F 1635191682 NDUSTIJGDSZRQJ-DLBZAZTESA-N 445.299 2.262 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1637297625 FJDMFWOIQZGDLI-NHCUHLMSSA-N 444.576 2.499 30 10 IEEE C=CCNC(=O)CNC(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1638879664 CMHDZTZIDGBJLC-UZUQRXQVSA-N 444.532 2.491 30 10 IEEE COc1ccc([C@@H](CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)NC(C)=O)cc1 1641855666 ROLLAFUXQLRYOL-HXUWFJFHSA-N 439.468 2.167 30 10 IEEE Cc1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)cc1B1OC(C)(C)C(C)(C)O1 1645830607 YSGSNZRFFNGYNK-LJQANCHMSA-N 433.379 2.334 30 10 IEEE CC(C)c1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1cccc(Cl)c1 1648028640 IQVMONXEQFCZGC-UHFFFAOYSA-N 438.875 2.480 30 10 IEEE COc1ccc(C(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 1648676348 BBZXEOUOHWPYAF-IAGOWNOFSA-N 449.573 2.412 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(C#N)cc2C(F)(F)F)c1=O 1652135991 DZIZNKGTYXMKJT-UHFFFAOYSA-N 434.374 2.162 30 10 IEEE O[C@H](CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1(O)CCOCC1 1655766538 DKTQEURGJNTSCC-HBNTYKKESA-N 427.332 2.382 30 10 IEEE CCc1ccc([C@H](NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2cccs2)cc1 1660309139 AALYBPBOFOFLEU-NYVOZVTQSA-N 443.594 2.386 30 10 IEEE C#CCCN(CCOC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1667220348 UZGXSBGSEURYDH-UHFFFAOYSA-N 440.523 2.124 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1674036119 LFJRZRQFBADBAY-IBGZPJMESA-N 426.558 2.478 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C(N)=O)nc1 1689824316 MPJMYAHDZABRKJ-INIZCTEOSA-N 431.500 2.147 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCC1 1689835755 RXJJLBUHKFQXQN-GOSISDBHSA-N 444.605 2.139 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCC1 1689846667 MKGKGRRLNGNXKH-MRXNPFEDSA-N 430.578 2.391 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1689921173 XBIFHJVVZJVKFP-UHFFFAOYSA-N 443.983 2.397 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689988946 ZGTUCELGYHIYHP-HOTGVXAUSA-N 445.520 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC2CCOCC2)CC1 1690146814 XVGWOQZXKLYNCB-FQEVSTJZSA-N 429.565 2.302 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690183417 XWNMQHMFEKTLOM-SFHVURJKSA-N 448.614 2.464 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(COCCOC)cc1 1690202880 IYQLLRPCGWNRJP-HYBUGGRVSA-N 437.544 2.433 30 10 IEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690308556 RTOBWXXGNWGCDO-UHFFFAOYSA-N 433.516 2.290 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690450082 ZOSSPARLLITDSE-OAHLLOKOSA-N 442.486 2.375 30 10 IEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1690601377 ZVWCNUSUFYBKEV-MRXNPFEDSA-N 426.487 2.463 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCO[C@H]1C 1690624144 HPUXQBNLIKGPOS-MBSDFSHPSA-N 425.533 2.460 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(Cl)nc1 1692782055 PLOGOFMJRAUFSY-CYBMUJFWSA-N 437.957 2.115 30 10 IEEE C[C@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1693646605 DQDCHLHANCTASR-VMXDCPSBSA-N 425.533 2.487 30 10 IEEE CN(CCc1cccs1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696784758 FQXZSMKFHPWZQV-FMQUCBEESA-N 426.546 2.497 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1nncn1-c1ccccc1 1698231263 WJXHVXAYQGFIKG-UWVAXJGDSA-N 436.520 2.227 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1705483185 PDMJDRRUSASZLI-AWEZNQCLSA-N 444.337 2.340 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(OC)CCOC2)c1 1705506847 KDABISSDQFLSJL-QHCPKHFHSA-N 425.533 2.338 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)c1 1705506994 OIISCBAPEWRSJW-XMMPIXPASA-N 436.560 2.401 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(OC)OC)c1 1705588160 XWHNEHQNNXCNNW-UHFFFAOYSA-N 435.528 2.317 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)cc2F)CC1 1705644157 ZPYNBILOZOXJHI-PXNSSMCTSA-N 431.487 2.084 30 10 IEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1705730565 KZRHGYVCHKVKGZ-UHFFFAOYSA-N 425.541 2.067 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 1705814445 PQGVEPIDKDYRTN-UHFFFAOYSA-N 433.578 2.083 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705828170 FLAUDMFYDZWGKH-UHFFFAOYSA-N 447.547 2.173 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1705833511 JDRULIJTVYBQFA-UHFFFAOYSA-N 434.566 2.097 30 10 IEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1705841894 FYVAASKTAPIMIU-KRWDZBQOSA-N 426.569 2.379 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705907694 UIEHBKVJSSPQSL-FQEVSTJZSA-N 438.576 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705933113 UTXXSVBKQLOOMR-INIZCTEOSA-N 444.536 2.412 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705939267 BVKCZUCXQMTQCR-KRWDZBQOSA-N 432.598 2.385 30 10 IEEE CC(C)(C)OC(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1706174167 GGZWMHPZNMQCBG-INIZCTEOSA-N 430.484 2.261 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1706745927 LCUJMJKAQQFGIK-GDBMZVCRSA-N 440.474 2.070 30 10 IEEE CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1710275220 LKFZVFGQMUTSHK-HTAPYJJXSA-N 428.537 2.362 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)COC)CC1 1710337453 BYJNNANZMXZODD-UHFFFAOYSA-N 425.537 2.341 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1722316061 APEHUAQFARHPQC-AABGKKOBSA-N 449.621 2.431 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1722354660 IQBSZQPRTDRPTN-SFHVURJKSA-N 443.552 2.320 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359765 AUONFMAJYPQCSF-GOSISDBHSA-N 443.573 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722363114 QSZZZZJWUKDEQU-DLBZAZTESA-N 430.505 2.404 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)N(C)C 1722379749 MHEVETNCUUUSMJ-INIZCTEOSA-N 445.614 2.096 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCc3cccnc32)CC1 1722429103 GYXQQTPHYJQABR-FQEVSTJZSA-N 449.603 2.467 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1722442046 WISRJBHXIIKVQW-HXUWFJFHSA-N 445.514 2.251 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2cccs2)N(C)C)CC1 1722450334 DPJUUWFAYMEKSA-SFHVURJKSA-N 444.605 2.145 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1722473934 JJUXAMIMCWULDI-FDDCHVKYSA-N 426.517 2.202 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2ccccc2)CC1 1722535775 NOYZUEVBTIQJSH-UHFFFAOYSA-N 439.560 2.481 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722681591 NLBSMCJZLPKIOS-MHORFTMASA-N 426.583 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCc2c(ccnc2O)C1 1722725045 CNFMVVBGBQIJRZ-UHFFFAOYSA-N 443.504 2.348 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CCOCCS(C)(=O)=O 1723772228 IEWIYEFYRXEQIG-AWEZNQCLSA-N 425.942 2.398 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)CC1 1729676307 BNGFOLNEWYTXLY-UHFFFAOYSA-N 428.562 2.444 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1730401394 ALRVTVUHCNKAEO-FXAWDEMLSA-N 430.940 2.490 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1740571168 XJIHUTZSEDSCNW-MRXNPFEDSA-N 425.489 2.407 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740636337 YBSYNUXAVHIPAU-IBGZPJMESA-N 427.512 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2ccccc21 1740645819 LXFHCUBWBFOGMP-IEBWSBKVSA-N 425.558 2.081 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(Cc2ccc(F)cc2)CC1 1740684029 IUFHJLXVTKFNGK-IBGZPJMESA-N 425.508 2.477 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1740692420 KIXGBEZRWRNKTI-IMSXRSKXSA-N 445.608 2.135 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2c(C)noc2C)CC1 1740698334 RMZSBHRRIDCAFY-UHFFFAOYSA-N 425.562 2.237 30 10 IEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740890008 QBYPQCQNMIGQMK-LJQANCHMSA-N 432.569 2.450 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1741001225 OHYMRDDBYPXURS-FUHWJXTLSA-N 435.594 2.170 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1741798316 HQLMOKZUUJINAJ-QGZVFWFLSA-N 448.535 2.062 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@H]2CCOC2)n1 1742700235 RSUXCSMZSMQKGB-NQIIRXRSSA-N 431.516 2.025 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCOCC(F)F 1743239852 WCYLJVRQLMCDIU-CQSZACIVSA-N 434.495 2.234 30 10 IEEE CCCc1nc(C)c(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)o1 1745327692 IMOLMXMKHFSNSY-BXWFABGCSA-N 430.509 2.028 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1748667022 LTYKURWGUDGLSV-DOTOQJQBSA-N 433.516 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)NCC(F)(F)F 1748831392 NIQXQIFWPHFIAD-UHFFFAOYSA-N 441.360 2.298 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1749009598 KQNIWBBRMYGHIZ-NJYVYQBISA-N 441.576 2.119 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1749067835 YHPYJYSPRMRSLD-LLGFUMIMSA-N 431.562 2.068 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)C(C)C)CC1 1749264665 BUADNLRMPOQIEV-UHFFFAOYSA-N 434.928 2.499 30 10 IEEE COCC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1749420330 FWDJLZYOAOQZBN-FQEVSTJZSA-N 441.532 2.338 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1749683394 RPZNSSZBKPOGAT-HXUWFJFHSA-N 442.539 2.283 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)[C@H](C)C1 1749849819 QKXGVIPIRUWKQS-RDTXWAMCSA-N 430.459 2.298 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1750000811 BEATURPDIKMKGY-UHFFFAOYSA-N 442.589 2.285 30 10 IEEE CC(C)(C)c1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750446680 DYYIQUGYBOEKHO-VHEBQXMUSA-N 443.596 2.413 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760168736 NOFINYPTSBOGNA-WOJBJXKFSA-N 438.557 2.090 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760191290 FAOCFQSMHHKQPH-MOPGFXCFSA-N 434.606 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(N(C)C)CCCC2)CC1 1760269845 PXVLWURNRGBZCR-HXUWFJFHSA-N 442.608 2.360 30 10 IEEE CC(C)CN1CCO[C@H](Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1761134345 CLDGMJGILCPEGQ-JTAQYXEDSA-N 448.612 2.271 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1762012534 AXEXTQOBTRCWTQ-QUCCMNQESA-N 438.580 2.106 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2CCN2CCSCC2)n1 1762428302 FUAUFSFRKCHVOD-UHFFFAOYSA-N 428.610 2.319 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1764993757 ZYCHJAFYWRUZRI-SKQREZPOSA-N 443.596 2.270 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC[C@H]1COCCO1 1769820433 YSRJWUZRQPPYJJ-FQEVSTJZSA-N 449.515 2.065 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1770787809 XJBGQZYUMZZENE-PZJWPPBQSA-N 442.539 2.350 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCOCC1 1771112620 UFZDTDCOQLDQJP-UHFFFAOYSA-N 435.475 2.055 30 10 IEEE CS[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771396802 DVPBKXHTOMEDPB-YQQAZPJKSA-N 428.566 2.258 30 10 IEEE NC(=NOCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 1853443513 ASEWFKNMBFZFOP-UHFFFAOYSA-N 432.322 2.220 30 10 IEEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862183005 ZUZYZXJYWSJQMQ-OSPHWJPCSA-N 441.528 2.312 30 10 IEEE COc1ccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)c(C)o2)cc1 1866675436 JEVUGVBYXQTTSB-FQEVSTJZSA-N 434.452 2.189 30 10 IEEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871500006 LEXCKMJMITUMMV-UHFFFAOYSA-N 435.454 2.204 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3cccn3C)CC2=O)cc1 1874198305 VZUWLRLCCYIRNQ-NSMHLIOHSA-N 440.529 2.112 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2cc(Br)cnc2C#N)(C(N)=O)C1 1903179986 UHEPJEZXNWZJTK-KRWDZBQOSA-N 425.283 2.350 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2015327423 SJQHWZSZZVNLQL-OAHLLOKOSA-N 426.319 2.248 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)F 2060638092 RXSRFPSEUGPYSN-CYBMUJFWSA-N 438.309 2.356 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2067742859 LWHJBXYPHMYJIC-QKPAOTATSA-N 436.358 2.345 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2211760128 WZGKKUFZTHFGKP-NSHDSACASA-N 434.278 2.073 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2224098331 UJJXSBQHJHJJTD-JOCHJYFZSA-N 433.358 2.189 30 10 IEEE CC(C)(C)OC(=O)NCCOC[C@](C)(O)[C@@H](N)C#Cc1ccccc1Br 2227464860 WAPMOGQVBWDVQN-LPHOPBHVSA-N 427.339 2.420 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC(F)F 2247880794 LPAFURYSGADKFU-UHFFFAOYSA-N 441.309 2.175 30 10 IEEE C[C@@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2247881326 WCECDOXETDEUMG-AWEZNQCLSA-N 440.371 2.177 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2248402339 VRFVTHZGYSIKQF-HNNXBMFYSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705706 ZCDANHHNXHPSCW-JLCFBVMHSA-N 431.342 2.443 30 10 IEEE Cc1ccnc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255828818 HCJUASUQGMLZQP-UHFFFAOYSA-N 431.342 2.476 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 2255868150 KVEMHPRCGLGYMP-MRXNPFEDSA-N 433.358 2.454 30 10 IEEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256623090 AHDMOEHPPQFJCT-QGZVFWFLSA-N 434.342 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267099516 LEUNTOZKVAFZTJ-FMKPAKJESA-N 446.357 2.227 30 10 IEEE Cn1ncc(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267190335 MVZGRTMUYIWZMU-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE CCn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267496392 AQVGMNXMJPIUNE-OAHLLOKOSA-N 448.373 2.235 30 10 IEEE Cn1ncc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267509791 ARROXLGBRAQTPA-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2267546074 RCUOVVPXUZQCQN-FQEVSTJZSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)[C@@H](N)C#Cc1cccc(Br)c1 2278790800 VAUUKBCTUGLIMJ-JKSUJKDBSA-N 445.379 2.456 30 10 IEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)NC)CC1 2297650414 MMTLMUOQLYQRMQ-IRXDYDNUSA-N 437.466 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(C)(C)C 2315295633 OOSZDPBELYXFPO-AWEZNQCLSA-N 436.362 2.378 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2327382172 MMKLVXQFOZLOEE-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331259659 JEDSSAKKTHVVFI-UHFFFAOYSA-N 441.941 2.335 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc(OC)c1OC 2331569526 MOTJTEFIGAMDJV-UHFFFAOYSA-N 445.501 2.325 30 10 IEEE C[C@@H]1C[C@@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N(C)CCC#N)cc3c2=O)C1 6296591 JHPBHRPXXTWBEB-HUUCEWRRSA-N 430.530 2.180 30 10 IEEE COc1cc(NC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc(OC)c1 9530009 BBSIOWPKQSSQSS-ROUUACIJSA-N 447.538 2.446 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccccc3)n2N)c1 20291783 BADYULGFUBVMQD-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE CC1(C)Nc2ccccc2N(CCCOS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1=O 96522368 PXEQACANSRRBSK-UHFFFAOYSA-N 431.470 2.454 30 10 IEEE C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)n1cnc(C#N)n1 409462492 GNCDWKKAOBWALL-NSHDSACASA-N 432.412 2.428 30 10 IEEE N#CCC1(CNC(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC1 431186286 FXPNIFPDJUXIHR-UHFFFAOYSA-N 434.338 2.409 30 10 IEEE CC(C)Oc1ccc(NC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)cc1C#N 435503549 DCTAOTXZYDAFNU-UHFFFAOYSA-N 427.530 2.475 30 10 IEEE CC[C@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CC1 464771903 NEUSBNSQANUCSX-LJQANCHMSA-N 439.560 2.301 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C)[C@H](OC)C3)nnc12 469884938 QPZAKMWIQUEJRH-WMLDXEAASA-N 427.530 2.206 30 10 IEEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(C[C@@H]3CCCO3)c2=O)n1 477444208 OSTJWRFTTDWMLU-RDJZCZTQSA-N 441.553 2.001 30 10 IEEE COc1ccc(-c2n[nH]cc2CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 506788321 FKKCWXJOSDJWHT-UHFFFAOYSA-N 437.525 2.463 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](O)(C(F)(F)F)C1 508840756 MSBFBHFWOYWKNU-IBGZPJMESA-N 434.422 2.272 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 508933158 WSWHQNFUZAMACM-OAHLLOKOSA-N 432.488 2.452 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 509003919 ZJKUTCCUSVHPTH-LSDHHAIUSA-N 431.459 2.179 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1-c1ccccc1C 520065368 WHJQTLUUPMTSAC-UHFFFAOYSA-N 427.888 2.249 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1Cc1ccon1 531684646 XSAXKFVYTXQTQI-UHFFFAOYSA-N 427.432 2.097 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 534871194 ICIZMNOYHCMKJZ-HNNXBMFYSA-N 438.513 2.117 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCCCC3)CC2)n1 546875303 ZZHBWEFIQKAMCH-UHFFFAOYSA-N 439.541 2.090 30 10 IEEE CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 546904499 USUHBKOYZRNLPK-UHFFFAOYSA-N 427.534 2.071 30 10 IEEE Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 551983742 RPVALRKRIBIPLE-KRWDZBQOSA-N 443.529 2.498 30 10 IEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 604000154 SEVSNPNWZCHGOU-UHFFFAOYSA-N 444.491 2.035 30 10 IEEE CCCc1c(NC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cnn1-c1cccc(C#N)c1 615271072 DDEVDOWXJGPUSI-IBGZPJMESA-N 435.488 2.197 30 10 IEEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 618827764 PSEINBCTTVTKQW-FUDKSRODSA-N 429.524 2.444 30 10 IEEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@H]1CCCO1 730138153 BPEUXBQXULCHJQ-QZTJIDSGSA-N 432.590 2.482 30 10 IEEE Cc1cc(I)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 733885690 BYWYULFZRYGPNO-FOCLMDBBSA-N 425.226 2.455 30 10 IEEE COC(=O)[C@@H](OC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)c1ccc(C#N)cc1 740212948 VVYRZISMEZPFMY-URXFXBBRSA-N 447.447 2.315 30 10 IEEE C#CCN(C(=O)Cn1c(-c2scnc2C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 742572934 IXDHQDRZPUTTES-OAHLLOKOSA-N 428.539 2.117 30 10 IEEE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 746200968 FUWSYXALMDCNGM-GBWQBGJGSA-N 439.516 2.037 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C#N)nc2)C1 760136017 ZPDXGUQHBJHTEB-QFBILLFUSA-N 441.532 2.321 30 10 IEEE N#Cc1ccsc1N1CC[C@H](OC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)C1=O 764530537 LSASLDXCDUWDJL-NSHDSACASA-N 445.400 2.271 30 10 IEEE O=C(CCNS(=O)(=O)c1cccnc1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764751157 LFIWUFIZFWPPOI-UHFFFAOYSA-N 444.300 2.464 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 777286658 HEADSZKQWGQUPA-FQEVSTJZSA-N 428.533 2.421 30 10 IEEE N#CC1(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CCN(Cc2ccccc2)CC1 779547042 QWDPEULMIIBFRY-WOJBJXKFSA-N 436.537 2.365 30 10 IEEE N#CCN(C(=O)COC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)c1ccccc1 780254384 DDWJJNACWPSXDI-QHCPKHFHSA-N 437.452 2.172 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 781002413 UPBNEBHVJBDICR-MRXNPFEDSA-N 428.388 2.080 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1Br 788652430 JJSIIMRDARTWIG-CJNGLKHVSA-N 441.303 2.427 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(F)cc1Cl 795803411 MGUPFBRQCAFRKH-UHFFFAOYSA-N 438.868 2.043 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 800773803 MNKPXFDMHPAEOG-LJQANCHMSA-N 438.532 2.482 30 10 IEEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1C 802358753 GUDUZSFBVNSZBL-LJQANCHMSA-N 434.500 2.295 30 10 IEEE C#CCN(c1nnc(Cc2ccc3ccccc3c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812154397 RQARZWWEIXTAJO-NRFANRHFSA-N 438.553 2.295 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(C)c2)c1=O 838649300 WOHFTGQNTZPLDB-UHFFFAOYSA-N 441.516 2.083 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C/c3ccc(Br)o3)CC2)o1 914683855 LBKIVIXEXDSBLU-HWKANZROSA-N 449.261 2.115 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)cc1 1083932379 DMVUVOHCJUNNRY-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE C#CCN(CC(=O)N[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1144044256 ROCJYJPOGBZYIY-DEOSSOPVSA-N 443.544 2.181 30 10 IEEE NC(=O)[C@]1(c2ccccc2)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1171180017 RBESPIAIPRRJKG-JOCHJYFZSA-N 429.442 2.302 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H](CO)C[C@H]1CCCO1 1177982264 VLEHVUOASLEFMV-NLWGTHIKSA-N 429.517 2.439 30 10 IEEE C#C[C@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1F 1230509819 BMASQWZNEQCXQS-IBGZPJMESA-N 444.894 2.227 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286335087 DOBLHACYVDJYRW-QGZVFWFLSA-N 430.553 2.421 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388811 VPWMOYUGLFBKEO-UGKGYDQZSA-N 428.558 2.387 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2(C)CCOCC2)n1 1286472133 VPDWAVLWQZGZAZ-HXUWFJFHSA-N 442.564 2.429 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN(CC)CCC(F)(F)F)CC1 1286489770 BMMGFOBJKFOPIQ-UHFFFAOYSA-N 440.514 2.396 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286492491 GWKQGSXRMUCAHO-IBGZPJMESA-N 442.608 2.091 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286627428 DXFKAYQURSGRMQ-HNNXBMFYSA-N 436.944 2.305 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1286741198 DFYMKOMDNUCMRZ-UHFFFAOYSA-N 441.557 2.159 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1286780870 KJOFMVZRMTWCLQ-UHFFFAOYSA-N 426.569 2.252 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286783170 MJQBKAQZCRNVLI-DEOSSOPVSA-N 436.560 2.404 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 1286817127 KBOZODMXCVWVCR-GCJKJVERSA-N 445.589 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286817133 KBOZODMXCVWVCR-XMSQKQJNSA-N 445.589 2.123 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1286823055 KPXFJWWGQSLRAC-UHFFFAOYSA-N 449.650 2.423 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1288540804 PSKBDEZJSXHYLQ-INIZCTEOSA-N 426.521 2.103 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnn(Cc3ccc(F)cc3)c2CC)cc1 1298902100 NHRWEWJPDWWELG-UHFFFAOYSA-N 441.488 2.192 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1300357051 HWQMEZBPVQGVKZ-QGZVFWFLSA-N 431.500 2.207 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300504895 VKTFDSRYYPDPLK-RYRKJORJSA-N 432.521 2.279 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1Cc1ccc(C#N)o1 1300556064 MWNDMXIAZNWCPF-UHFFFAOYSA-N 434.500 2.482 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)(C)C)cs1 1300579116 RRNAYSSTZNNIQR-MRXNPFEDSA-N 445.614 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CO2)C1 1300656266 HSVISDMLRNLFGQ-MJGOQNOKSA-N 426.517 2.422 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1300673480 LUKQNICRKCNCTM-UHFFFAOYSA-N 446.511 2.355 30 10 IEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N2CCOCC2)CC1 1301071134 XXAHGOPZQBLGMJ-UHFFFAOYSA-N 449.353 2.441 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1301189211 STZCSRKFPJDONY-SFHVURJKSA-N 430.578 2.258 30 10 IEEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1301219324 CQNUUJKGISHLKY-UHFFFAOYSA-N 436.472 2.389 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(C)C)C1 1301497477 XUTPFMFHYLJFOV-INIZCTEOSA-N 445.593 2.023 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1302775917 CDXORLIPNROYDC-GRNWLOBZSA-N 428.537 2.323 30 10 IEEE CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1302995455 IJSVRFNQBWEPCN-QGZVFWFLSA-N 439.472 2.212 30 10 IEEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(OCC(N)=O)c2)cs1 1304647855 FCRJZUWIYNIYQN-AWEZNQCLSA-N 439.545 2.142 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C)(C#N)CC1 1314549850 APJMLLKDMNQOLU-UHFFFAOYSA-N 446.577 2.413 30 10 IEEE COC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1315138440 FNUVYQQZJKCFPX-OAQYLSRUSA-N 428.516 2.319 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315811469 HALLHNKKGINKKU-AEFFLSMTSA-N 444.511 2.123 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1358912460 RMSXFWKAVZDRMP-HXUWFJFHSA-N 425.581 2.383 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1358914711 DOFGVHTUWAMBCQ-LJQANCHMSA-N 440.573 2.334 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1359009854 ACZCJVNERKEHIZ-SFHVURJKSA-N 443.552 2.136 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1 1359281552 DFSULQNFCITQNC-QGZVFWFLSA-N 426.583 2.168 30 10 IEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1 1359310813 HPDKMHOCTYFXME-UHFFFAOYSA-N 435.532 2.384 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1359333399 WORFVJVSELKZLY-SLFFLAALSA-N 435.638 2.388 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCOCC2)C1 1359578792 SWXZCUNOJAIZEC-KSZLIROESA-N 446.552 2.204 30 10 IEEE C#CCN(CC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1)C(=O)OC(C)(C)C 1464250899 RHTFHDKGWBNGKL-QGZVFWFLSA-N 446.523 2.167 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1464638896 KPZLIOJUHMPVAO-UHFFFAOYSA-N 440.308 2.273 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 1465863379 DSPFYHKCEKQNON-GOSISDBHSA-N 449.912 2.372 30 10 IEEE C[Si](C)(C)C#CCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1469984357 WBWDRTHZYOKJOP-SFHVURJKSA-N 438.622 2.103 30 10 IEEE COc1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc(Cl)c1OCC(N)=O 1470341051 RNBMPPMFJJDLNQ-UHFFFAOYSA-N 428.876 2.499 30 10 IEEE C=CCC[C@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1470855883 XAOCDQYSDNKGHK-GOSISDBHSA-N 440.585 2.251 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)N3CCC[C@@H](O)C3)CC2=O)cc1 1471761007 AYGKCHLIARNGIP-PKOBYXMFSA-N 432.480 2.147 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2)C1CCOCC1 1475515366 QNUAVGAYQWVZNV-OAHLLOKOSA-N 441.347 2.431 30 10 IEEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1475844016 BDPCOZSTAVCQGO-KRWDZBQOSA-N 435.546 2.373 30 10 IEEE CCCCCN(CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)Cc1ccccc1 1478928594 FBRSXQLHBBQPRA-UHFFFAOYSA-N 438.532 2.079 30 10 IEEE CO[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503942515 CPYSEFNPTIHUNN-SFHVURJKSA-N 448.575 2.338 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC(F)F)cc1 1505318479 IKPMWGOZFBYBLA-OAHLLOKOSA-N 434.447 2.060 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 1507536106 AOKWXSRZJLTHFU-QZTJIDSGSA-N 429.638 2.365 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507630982 KLFANFRCPPIAIE-IEBWSBKVSA-N 443.573 2.090 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507635540 SURWMKDMUKMCQR-ZWKOTPCHSA-N 448.614 2.372 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1507765967 WSKSTDRMGUTUIB-WAOWUJCRSA-N 436.626 2.145 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507771001 VTJDIXTZYLJMCM-NTKDMRAZSA-N 439.535 2.495 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1507800489 VXRKVUWVFOLVKV-YRXWBPOGSA-N 438.594 2.167 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccsc2)CC1 1507956948 IVILYFUMEDQURG-UHFFFAOYSA-N 444.605 2.491 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1scnc1C 1508079115 OJOJYKAFWSRNHL-UHFFFAOYSA-N 426.502 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1508079324 QRCZRBXEJPGEEE-LJQANCHMSA-N 429.484 2.172 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(C)C)CC1 1508139758 DNAFYARBGZTWBN-SFHVURJKSA-N 425.599 2.087 30 10 IEEE C=CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1508163372 VQDASNURBNVEKJ-UHFFFAOYSA-N 442.636 2.036 30 10 IEEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1508792390 HCSKTCOMRYOPMD-UHFFFAOYSA-N 437.548 2.184 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1509584674 PPAIVWUVOVLICT-IBGZPJMESA-N 426.521 2.120 30 10 IEEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511113953 XQPKLIXIEXLFDE-SJDLZYGOSA-N 446.515 2.305 30 10 IEEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1516527026 XHHQEVKTCVOTAQ-NRFANRHFSA-N 432.475 2.281 30 10 IEEE COCCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1519346816 GYJPTCYKNIWPBL-AZUAARDMSA-N 427.505 2.322 30 10 IEEE Cn1c(=O)c2cc(C(=O)N[C@H](C#N)c3cccc(Br)c3)sc2n(C)c1=O 1527509808 DBHCRIFCOQUGHO-GFCCVEGCSA-N 433.287 2.056 30 10 IEEE C#CC[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1529684270 QJNYPVYERQNMQL-KRWDZBQOSA-N 432.542 2.120 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 1535349622 IVIWRLKVZKIQFJ-SJKOYZFVSA-N 428.855 2.371 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N3CCOCC3)c1)C2 1535784963 ANNQNFXLLYMJOW-SFHVURJKSA-N 445.928 2.130 30 10 IEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1539104223 HDOKPHVKCIRUIF-UHFFFAOYSA-N 430.520 2.321 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(COC)CCOCC1 1539145720 QDMRSRNGRSHDOX-UHFFFAOYSA-N 445.951 2.374 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ccccc1 1539258293 UPNGAWNYBJAYNL-UHFFFAOYSA-N 448.552 2.390 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1539462024 AUPXSKCCDICWPR-FCHUYYIVSA-N 444.624 2.022 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1)C1CC1 1540099243 VIKKKVNMZHVHBT-UHFFFAOYSA-N 432.546 2.045 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1540865410 FQQTYZSQXHYTAY-UHFFFAOYSA-N 447.543 2.100 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1540870928 ABSYKCOEMUBVGZ-INIZCTEOSA-N 426.477 2.161 30 10 IEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOCC1 1540873612 DKQXPRFLNZACQJ-UHFFFAOYSA-N 433.940 2.390 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1540902798 QMLPMQJZYNNXCW-KURKYZTESA-N 440.610 2.413 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCc1cnccn1 1540913948 YHWIIZRLLPMIKO-UHFFFAOYSA-N 427.534 2.394 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1541116765 UWBYTDRUUJBHMZ-IEBWSBKVSA-N 440.548 2.283 30 10 IEEE COc1cccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)c1 1548368147 YJMHKCDMJZIZPY-GOSISDBHSA-N 432.402 2.402 30 10 IEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)CCOCC1 1555304573 FQYNEFJWECGWCJ-UHFFFAOYSA-N 441.532 2.397 30 10 IEEE COCC1(O)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1556068144 TVLWCLRUHAZJMB-LJQANCHMSA-N 429.517 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]2C[C@H]21 1556132962 YMFCVAKRXHWNAH-YHPRMOQLSA-N 434.537 2.411 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)CC2=O)cc1 1557044778 KGUJIDPIUGEHNS-OAQYLSRUSA-N 432.524 2.054 30 10 IEEE Cc1noc(C)c1CSc1ccccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1557599556 BWXLRAABZLQESK-UHFFFAOYSA-N 425.470 2.148 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OCC)c2ccc(OC)c(F)c2)c1 1559763446 DRLNIEOCSZKOEI-FQEVSTJZSA-N 427.432 2.358 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncccc3-c3ccccn3)CC2)cc1 1588157695 GBQGWYXQYRXRDN-UHFFFAOYSA-N 433.493 2.162 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2noc(CC)n2)CC1 1588898809 CVFBGFWBJGHWRN-UHFFFAOYSA-N 437.504 2.000 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1593729297 JWFZDBGAWKSJBV-HXUWFJFHSA-N 428.581 2.425 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1593883983 AAQIFABMZRVSIP-YVORESIASA-N 442.994 2.307 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC1CCC1 1595537654 VGQVOHLCEJCSMA-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCSc1ccccc1 1611686396 GDMHUGYSIQWOHZ-KSSFIOAISA-N 438.554 2.123 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCC(=O)N1 1613314545 JIDJCZXQGCQDBV-JKSUJKDBSA-N 425.512 2.408 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1620296205 HCHRNNKHJNIJGA-AEFFLSMTSA-N 426.546 2.197 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)[C@H]1CCC[C@@H]1C#N 1620488319 VUVDTPIETBAVCS-APWZRJJASA-N 434.562 2.432 30 10 IEEE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704752 SZHVDWDGSDQHAW-IBGZPJMESA-N 439.520 2.480 30 10 IEEE CS(=O)(=O)Nc1cc(C(=O)NCc2ccc(C(=O)NO)cc2)cc(C(F)(F)F)c1 1635200780 OPOMZXBBKOUYTB-UHFFFAOYSA-N 431.392 2.126 30 10 IEEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1635971816 XCVPDABCSDILEZ-MRXNPFEDSA-N 440.363 2.183 30 10 IEEE C#CCC1(O)CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 1636664556 NLISTRIFXQUCDC-UHFFFAOYSA-N 439.553 2.125 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)s1 1637938791 GQONTVGYVHIDSE-INIZCTEOSA-N 442.603 2.237 30 10 IEEE C=CC[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC 1638326078 KPQOBFKUNPHRHJ-HNNXBMFYSA-N 443.541 2.372 30 10 IEEE COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccncc1 1639343974 BHCMSTOJYMCJEX-YJBOKZPZSA-N 426.860 2.380 30 10 IEEE C=CCCONC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1641570206 AOCOOQRWVTXQEJ-UHFFFAOYSA-N 429.542 2.431 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)c1 1645034181 LMZNKXPMCZGGEU-SFHVURJKSA-N 440.521 2.333 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1652328571 LMCHZPZFOSNVQF-WMLDXEAASA-N 447.948 2.377 30 10 IEEE CCN(CC)CCCNC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 1654363275 QQMLYYDSEWXNFR-HSZRJFAPSA-N 436.597 2.335 30 10 IEEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCCCC1 1655686457 BLFJHTKVFTULQL-UHFFFAOYSA-N 437.993 2.489 30 10 IEEE C#CCCN1CCN(S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)CC1 1659770989 XQBUKZFEVCTJKI-UHFFFAOYSA-N 440.363 2.054 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1 1661808168 NVLOVSCAPOPCEC-LJQANCHMSA-N 432.567 2.356 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 1663714109 UXCZLTAQGLWUJN-SSEXGKCCSA-N 436.534 2.210 30 10 IEEE C#Cc1ccc(S(=O)(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)cc1 1671853404 YVNAAGPGUYDELQ-QGZVFWFLSA-N 428.514 2.234 30 10 IEEE C=CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CC1 1673308354 CXHPEYPBPXVQAP-UHFFFAOYSA-N 437.562 2.205 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 1683675631 DGYYMSAUAINOFZ-INIZCTEOSA-N 441.538 2.082 30 10 IEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1689929630 AOUZALVRDISHRH-QGZVFWFLSA-N 445.999 2.467 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690043302 WMMVYNADMRLZLC-OALUTQOASA-N 434.523 2.082 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCC)c1 1690073735 FBEBVVLLFRXZRV-UHFFFAOYSA-N 434.500 2.263 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(N2CCSCC2)CCCC1 1690104463 XKQFOEIPSMENLH-IBGZPJMESA-N 433.622 2.230 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ncccc2Cl)CC1 1690124068 DUDNOXPQIXWPHZ-GOSISDBHSA-N 430.940 2.402 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690155079 FESDZWLPERHRGK-LJQANCHMSA-N 432.638 2.293 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCN(C)C1 1690556192 PBBCSENBPMHLRQ-AUSIDOKSSA-N 427.549 2.050 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(N(C)C)CCOCC2)cs1 1693350536 CFUWJZQPOMROSV-LJQANCHMSA-N 433.557 2.187 30 10 IEEE C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1693645323 BUIIOLVXVRHZOY-PERKRYKHSA-N 443.573 2.239 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCc1ccco1 1694724419 DEXXWCADJZOWSW-UHFFFAOYSA-N 447.543 2.334 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1697063016 ZDZOMHGHBRRAKC-ZWKOTPCHSA-N 425.489 2.155 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1697922556 BVJOPWFZVTYOJJ-GAJHUEQPSA-N 436.516 2.318 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCCCCCO)cc1 1698489062 LMTYKAFPTWPBMI-RBUKOAKNSA-N 441.488 2.396 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CCO1 1698492306 AYPGLDWCSPYTGN-IRXDYDNUSA-N 447.586 2.091 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Br)cn1 1705490720 PIHDSXOGYARGCZ-GFCCVEGCSA-N 446.309 2.123 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705514528 ZPRWVWGWCXYGCW-UHFFFAOYSA-N 433.564 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cccc(N2CCOCC2)n1 1705600376 WZMNETAPJFZTNV-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1705642552 XUNNUPIVPQDWRU-WOJBJXKFSA-N 425.581 2.099 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705657881 UIJGPCKOVBPHQJ-QGZVFWFLSA-N 445.556 2.083 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705658511 RQSDEZCNPPYCRK-MRXNPFEDSA-N 429.575 2.388 30 10 IEEE C=C1CCN(c2nnc(COCC)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1705772662 XXHINCISFAMSON-UHFFFAOYSA-N 425.580 2.319 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCN(CC)CC2)CC1 1705784461 WQBOHZOHIJDWJK-UHFFFAOYSA-N 443.640 2.221 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705787133 IUSSWXZTEIWGGB-NRFANRHFSA-N 435.594 2.131 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1705894882 NKIAOEMPVUPJNI-WMZOPIPTSA-N 428.581 2.227 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705907376 KNGAMCWFKMLNKK-HKUYNNGSSA-N 427.549 2.378 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)C)C2)C1 1705914257 KDTDMPAOFQBATA-VQTJNVASSA-N 430.597 2.416 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CC)C1 1705922394 MEDCZGRYGNPJMD-MWTRTKDXSA-N 438.532 2.134 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706934360 XNQOYRZJKXKVAK-JTSKRJEESA-N 439.495 2.126 30 10 IEEE CC1(C)CCO[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1706950370 JUGKVHHOIFPKKR-IBGZPJMESA-N 438.532 2.103 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708625122 ZNMTUVLJABNSHB-OAHLLOKOSA-N 448.531 2.123 30 10 IEEE CCN(CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1710065552 KCDZNNZEDMEFDQ-UHFFFAOYSA-N 431.585 2.003 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1710698467 ZKCZUBSVCGNNQH-IAGOWNOFSA-N 439.564 2.470 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CC1 1712883130 TUXWXPLJTIGKTP-CYBMUJFWSA-N 434.426 2.021 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1OCC(F)(F)F 1722358971 OEOWOARWEXHVAH-HOTGVXAUSA-N 439.438 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC(=O)NCC(F)(F)F 1722398656 GTKXKLUAYYAVRK-UHFFFAOYSA-N 433.434 2.041 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccccc1Cl 1722419169 QFRNIOUBPZFPCW-QFIPXVFZSA-N 445.951 2.161 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722425319 VCYQSMJDNJQFAU-KRWDZBQOSA-N 441.536 2.221 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(SC)cc1 1722430039 ZLUAMEOJVKJZJC-GOSISDBHSA-N 448.614 2.231 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN(C)c2ccccc2)CC1 1722440957 MLOFPNJCRQADCG-UHFFFAOYSA-N 449.603 2.072 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F 1722451287 IGZGVJCKADVXTB-HNNXBMFYSA-N 439.582 2.339 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](n2cncn2)C1 1722491512 LSJFTKPEGILAMC-NMLBUPMWSA-N 445.568 2.416 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nnn(C)n2)C1 1722723166 VYYONJKMTCPRDF-MRXNPFEDSA-N 426.550 2.232 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](COC)C1 1722725336 JLODPVLEPURNKE-QGZVFWFLSA-N 434.562 2.417 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1740607864 FVPFERKTNFEYJU-MRXNPFEDSA-N 440.552 2.048 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1cnn(-c2ccccc2)c1 1740629125 BKCUDFMBDBRDMT-UHFFFAOYSA-N 427.512 2.015 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740726209 ZGWGUPKNFBODEQ-HRAATJIYSA-N 431.562 2.132 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)CC1 1740839118 GOEOGBAVPCVGLM-KRWDZBQOSA-N 432.546 2.345 30 10 IEEE C=CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C)C1CC1 1740908350 UMXQQRYSJHKHFU-UHFFFAOYSA-N 441.561 2.381 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nnc(C)s2)C1 1740983537 KLSKWFVNOMBCCK-QGZVFWFLSA-N 428.566 2.324 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1740991940 ISRWDZUVLOUCGL-UHFFFAOYSA-N 428.558 2.467 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1740999827 PBYDGGMZDISCSN-UHFFFAOYSA-N 440.577 2.328 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1741006227 DFEXDCZOHQKCSN-YZGWKJHDSA-N 448.637 2.038 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCN(c2ccncc2)CC1 1741136394 OWCJTBBSQOFLQI-PZJWPPBQSA-N 438.580 2.333 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1741802255 HJNQSTLQSJFEKB-TZMCWYRMSA-N 435.330 2.017 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@@H]2CCOC2)n1 1742700236 RSUXCSMZSMQKGB-RXVVDRJESA-N 431.516 2.025 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1 1745800607 ACWMPLQXJXTFOX-GOSISDBHSA-N 426.521 2.118 30 10 IEEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1747862514 CPWLKLLOGKBKDR-ROUUACIJSA-N 429.546 2.114 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1748771212 IZJRFHGKWWLQEQ-UXHICEINSA-N 438.450 2.450 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1748825024 VNFWDSGYMWGOHU-LJQANCHMSA-N 428.558 2.173 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749040090 MDSLVMMKPYNOIR-AEFFLSMTSA-N 429.521 2.309 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1749056780 SUPVVPUVQJUJCM-HOYKHHGWSA-N 437.544 2.441 30 10 IEEE C=CCCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1749439567 CIDPSZLRXUIYNB-HNAYVOBHSA-N 445.486 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749663878 AXWYGDQBKHNRCT-UHFFFAOYSA-N 442.527 2.149 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749670689 UPUUWGQDSKNGBW-UHFFFAOYSA-N 428.581 2.467 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2C)C1 1749732325 VOQYWHWQVUKZQA-MJGOQNOKSA-N 443.573 2.132 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1750100485 JIUQUOMSEDSQJH-IUKKYPGJSA-N 441.532 2.252 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1750490474 IDDHWFIEXCSWGF-BZSNNMDCSA-N 446.552 2.158 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)[C@@H](C)CCC 1760173748 BFGHIMWUNGSLAG-SFHVURJKSA-N 438.580 2.074 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)N(C)C)c1 1760177365 PFNASXLVCXWSPW-UHFFFAOYSA-N 427.512 2.336 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1760186855 RESFNGVDBCWVMF-SOLBZPMBSA-N 428.558 2.400 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC(=O)N1 1760215151 QBCKJXVJRDFMMW-LJQANCHMSA-N 435.528 2.482 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760351207 BZSCKWXFHMRCAS-JOCHJYFZSA-N 429.521 2.257 30 10 IEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccccc1F)C1CC1 1760526743 GPHWSIWIDFGJCF-UHFFFAOYSA-N 426.496 2.011 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1760547125 DVVXVBWDDXSIQT-WGGBDISSSA-N 444.532 2.187 30 10 IEEE CC(C)Oc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1761298616 FKUBBZRVADHWBH-UWJYYQICSA-N 447.536 2.458 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763736511 DYHSHKMRDAPHEQ-RJCBAWPRSA-N 429.569 2.239 30 10 IEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1763856664 DMJHFZHNTSSLSM-LPHOPBHVSA-N 446.577 2.102 30 10 IEEE CCN1CCC(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1765408818 YPTKSINNCWYERY-REWPJTCUSA-N 446.596 2.169 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnc1C 1766917094 BRECWXZEAONZOW-UHFFFAOYSA-N 441.561 2.283 30 10 IEEE C=CCN(C(=O)CCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)c1ccc(C#N)cn1 1849691100 IXGVJHMAZXIYEU-SFHVURJKSA-N 427.530 2.278 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)c(Cl)c1 1851335336 SKAFEANPPVTRIV-UHFFFAOYSA-N 436.965 2.064 30 10 IEEE COc1nc(=NC(=O)[C@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2)c(C#N)c(C)[nH]1 1851587944 CETXKSFAIZGQRP-ZDUSSCGKSA-N 433.390 2.093 30 10 IEEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)nc1C 1851715355 OGJXDMTYOHLVAT-IBGZPJMESA-N 444.488 2.420 30 10 IEEE COc1cccc(C#N)c1OCC(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 1852612296 JXOVHPAGBVPSFN-HXUWFJFHSA-N 426.492 2.190 30 10 IEEE CN(C)C(=O)C1CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1855310963 NLIABAQULSQMBI-LJQANCHMSA-N 430.936 2.337 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)OC1=O 1855755857 UJYGWOVLAVDMJD-OAHLLOKOSA-N 445.419 2.367 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)OC1=O 1856212741 GFXXCDOCHMPZSX-INIZCTEOSA-N 425.894 2.143 30 10 IEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1862738003 PULNADDCHUKLSI-QGZVFWFLSA-N 427.369 2.464 30 10 IEEE O=C(NCc1ccco1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934040 WQWIGUIFUQAJMT-SFHVURJKSA-N 427.457 2.385 30 10 IEEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870142263 JFJIVUJTUFNWRZ-IZZDOVSWSA-N 442.435 2.415 30 10 IEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871517883 HREWOYTVTPVWDW-UHFFFAOYSA-N 446.515 2.287 30 10 IEEE COc1ccc(CCCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890218805 KKWNSXDQKBDBOV-UHFFFAOYSA-N 427.589 2.276 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl 2181123551 NEEQEZLJMJZDPB-GFCCVEGCSA-N 436.317 2.496 30 10 IEEE CC1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247832798 VQJWMLCTYUFKMS-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCCN(Cc2ccccc2)C1 2249684093 DDEFUXCVYOLCFW-HYBUGGRVSA-N 429.561 2.389 30 10 IEEE Cc1cc(C(=O)NCCOCCNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255625766 WXSCUOKBTOWOJQ-UHFFFAOYSA-N 438.330 2.158 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255831041 PFUCXPWAMKQOBI-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256023526 RWECNGRAWMROCS-OLZOCXBDSA-N 427.276 2.461 30 10 IEEE Cc1nc(NC(=O)[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256742400 VRSCHHSDRVTJKM-UKRRQHHQSA-N 432.330 2.326 30 10 IEEE CCN(C(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2267180349 CUDBJJYZSUHFLP-UHFFFAOYSA-N 448.373 2.284 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267493598 KRFMMQRZBCXROB-FQEVSTJZSA-N 439.365 2.125 30 10 IEEE CCn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267496353 AIBCYTVFANPIKM-HKUYNNGSSA-N 438.381 2.453 30 10 IEEE CC(C)(C)OC(=O)NC1(CO)CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267816336 OTOPMJXXPDAKJY-UHFFFAOYSA-N 447.385 2.424 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2269073442 KMXYUJZVNGLOMG-FQEVSTJZSA-N 438.333 2.301 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)OC1(C)C 2283066997 DFTDBHAJACXWNJ-CLOONOSVSA-N 448.376 2.370 30 10 IEEE Cc1c(F)cc(C#N)cc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286019856 DDVKODFJGICQCI-KRWDZBQOSA-N 435.433 2.127 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccccc1 2296079828 YCZCXVDKBAQWRP-HXUWFJFHSA-N 437.452 2.349 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccco1 2297740777 JDQNXTADTNCMJZ-LJQANCHMSA-N 441.440 2.332 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)[nH]1 2315394034 MJXLJMSCVYMQJK-QFIPXVFZSA-N 433.358 2.207 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)N2CC[C@H]1C2 2319938566 CPYDJFNIEZTCDU-JKSUJKDBSA-N 435.374 2.423 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2337198162 GFIPWYMNODNFFX-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE COc1nc(N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2339785215 PZJSZLFCRYIPSE-CYBMUJFWSA-N 443.275 2.427 30 10 IEEE COc1[nH]c(=NC[C@@H]2CCCCN2C(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2339786791 RJBFKELEBUHOTI-ZDUSSCGKSA-N 443.275 2.167 30 10 IEEE CC(C)[C@H]1C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OCc1ccccc1 2370889527 VMTGJBKJFNRKPG-XMSQKQJNSA-N 435.542 2.180 30 10 IEEE O=C(C1=CCS(=O)(=O)CC1)[C@@H](O)c1ccc(Cl)cc1I 2375322231 GNHLBTNHEPJLDB-ZDUSSCGKSA-N 426.659 2.292 30 10 IEEE C[C@@H](C/C(N)=N/O)NC(=O)c1cc(I)ccc1Br 235103481 GTWAOEGMXZOAJV-LURJTMIESA-N 426.052 2.309 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1 429574117 PASFFPUDTCWIBG-QGZVFWFLSA-N 439.497 2.086 30 10 IEEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCOC[C@@H](C)C1 460562057 AWSKGKNARASIQR-FQEVSTJZSA-N 438.576 2.285 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCCOc1ccc(C#N)cc1 466102192 KWZPVVGCJFVRLK-UHFFFAOYSA-N 431.518 2.075 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2cc(F)cc(F)c2)cc1 470439032 SIBMSTVCBWPHNK-QGZVFWFLSA-N 430.436 2.106 30 10 IEEE CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 490423017 QNSFLZJPQMKPMY-FGZHOGPDSA-N 434.606 2.121 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 503051495 HHORJHQYYCPREH-NRFANRHFSA-N 435.546 2.349 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)c1 505586800 VXVMQIZEGVZAMU-UHFFFAOYSA-N 449.529 2.128 30 10 IEEE N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1 505923255 RRYHCGUVCLIQSY-OAQYLSRUSA-N 442.516 2.369 30 10 IEEE COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CCC(C)(C#N)CC3)cc2)C1 506272409 SMZHLNFDGCZDMM-INIZCTEOSA-N 448.545 2.418 30 10 IEEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 525831354 CWAVKLYWUWAPOK-CQSZACIVSA-N 427.251 2.434 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3ccccc3C#N)CC2)CCCC1 530915480 IIEAUBJEXVQZLN-UHFFFAOYSA-N 434.544 2.300 30 10 IEEE Cc1nn(C)c(C)c1[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(F)(F)F 543662970 NVRMKGSARYTDIQ-ZBEGNZNMSA-N 436.442 2.222 30 10 IEEE COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F 550124100 KCLOURUKAOKEFC-LIRRHRJNSA-N 438.459 2.195 30 10 IEEE Cc1noc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCCO3)CC2)n1 559219601 KCHIJIQDAYCASC-HXUWFJFHSA-N 448.531 2.400 30 10 IEEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)ccc1C#N 568497308 QRWNQIPYPCKJPL-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 573392059 JRAMVUZNJMJSBF-IBGZPJMESA-N 447.605 2.472 30 10 IEEE Cc1ccc(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 579412029 GQYXMTSYYSTWGL-UHFFFAOYSA-N 425.510 2.267 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 604301963 RKXFLSXEQYHCPQ-CQSZACIVSA-N 441.438 2.404 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccccc2)C1=O 730144026 GUMKNXBMUSHOEO-UOODYVSWSA-N 439.585 2.192 30 10 IEEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 732465446 FGWZSLBDHLNNAI-ZBBYCGENSA-N 449.914 2.269 30 10 IEEE N#C[C@@H]1CN(Cn2nc(N3CCCCC3)n(C[C@H]3CCCO3)c2=S)CCN1C1CC1 732672121 DDZNSAONLIXXNP-RTBURBONSA-N 431.610 2.213 30 10 IEEE N#CCOc1ccc(COC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)cc1 733442195 UUMYLLVKLWEWQB-UHFFFAOYSA-N 425.260 2.356 30 10 IEEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 744839156 HKLQGUPLCUXEJE-FXAWDEMLSA-N 437.500 2.032 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnc([C@H]3CCCO3)s2)c(=O)n1-c1ccccc1C#N 755662796 QVFSRZDRDDUAQN-QGZVFWFLSA-N 431.502 2.105 30 10 IEEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 761038295 QFSDICJUJQBIHV-MAUKXSAKSA-N 429.521 2.362 30 10 IEEE COc1ccc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1CO 763032971 PRJJCRGLJUUDHX-KRWDZBQOSA-N 431.514 2.279 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 770380796 IBZQFPNEJRMYOG-HEWTWTGNSA-N 437.374 2.270 30 10 IEEE C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 776090942 CKEUPGKLABZNTB-UHFFFAOYSA-N 444.469 2.145 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c2)o1 779189751 XUSXCMSANPQCSR-UHFFFAOYSA-N 426.454 2.057 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 779420818 ZKVMOIMKGVWCNC-PWIZWCRZSA-N 439.528 2.321 30 10 IEEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786687297 GJVDBTCTDRZXLP-SFHVURJKSA-N 449.598 2.338 30 10 IEEE CN(C)C(=O)Sc1ccc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 795327018 HAQCJGJIXAIOCC-UHFFFAOYSA-N 433.511 2.354 30 10 IEEE CC(=O)c1ccc(Br)c(S(=O)(=O)NC(=O)COc2ccccc2C#N)c1 797576063 NJCSZXOMYVMXMB-UHFFFAOYSA-N 437.271 2.407 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC1=CCCOC1 807930654 TWKDEDOOCZWOMA-LJQANCHMSA-N 430.574 2.341 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 809917466 KWMGSAGXLYNBIU-ROUUACIJSA-N 448.568 2.125 30 10 IEEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 812102802 WZNMJFMKIYQISG-IERDGZPVSA-N 434.541 2.363 30 10 IEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1=O 916775295 OIICRNHJOQJWEQ-OAHLLOKOSA-N 447.900 2.219 30 10 IEEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)C1=O 1127667789 GYDQYLMTUNFAEL-NHCUHLMSSA-N 435.480 2.358 30 10 IEEE C/C=C/C[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1138131954 PWNIQDKNOKIWTD-DGDBIBOCSA-N 435.546 2.154 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 1141516447 KUZGCCXPTVMDGD-MRXNPFEDSA-N 437.537 2.141 30 10 IEEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2cccc(C#N)c2Br)cn1 1154896893 YPVRYNAHBXXSDL-HNNXBMFYSA-N 437.319 2.056 30 10 IEEE N#CCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C1CCCC1 1167447611 NGCHEHYGLGGXJQ-UHFFFAOYSA-N 434.562 2.039 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1252570949 BZHDYGFIZYFZTK-AWEZNQCLSA-N 434.331 2.320 30 10 IEEE CSC[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1279052966 KNXPCTRNPPIRLW-BFYDXBDKSA-N 446.598 2.175 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NC)CC1 1286659976 BYHVEODJBVUTRR-UHFFFAOYSA-N 435.532 2.213 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1286765541 FPJWMGJPZDZBPG-QGZVFWFLSA-N 436.520 2.023 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1C(C)C 1286787733 IYCALGJJXOYMOO-LJQANCHMSA-N 438.580 2.379 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286959048 DBTPEBYZYNBPRV-KZNAEPCWSA-N 440.552 2.021 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2ccco2)CCOC1 1288283801 YKVFMCXDEQAOHP-IERDGZPVSA-N 430.509 2.080 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)Oc1ccccc1 1288601577 DZCZXJZPTPTIDJ-LLGFUMIMSA-N 446.577 2.486 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)c1cc[nH]n1 1288908711 DNHUXKKFTKQGLR-CABCVRRESA-N 440.483 2.449 30 10 IEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1299633817 FJSUMYDZRDOQQH-CDXJDZJCSA-N 446.577 2.406 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300766627 HRRFJTBHWZHPLP-UHFFFAOYSA-N 441.605 2.260 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1300805839 JMYAZIYMMJGRGV-MGPUTAFESA-N 449.964 2.300 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1300989550 PLINNDRHWWPECT-SQNIBIBYSA-N 440.610 2.413 30 10 IEEE COCc1nc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)cs1 1301209237 DTELNRJVUADURV-QGZVFWFLSA-N 437.529 2.388 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1301297122 MCQPGXXGKCXJGE-OALUTQOASA-N 449.577 2.011 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1301502754 OVPUHZKBHCQXLM-UHFFFAOYSA-N 440.596 2.327 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccco2)N(C)C)C1 1301565669 FORBFHAVIJBDMS-QZTJIDSGSA-N 428.537 2.078 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCNC(=O)C2CC2)n1 1304742313 AJJYOKPHDKDQEX-UHFFFAOYSA-N 432.532 2.174 30 10 IEEE C[C@@H](NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1312479632 LQTIIQIZBMICAP-IERDGZPVSA-N 442.541 2.246 30 10 IEEE CO[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)C(F)(F)F 1315183914 IHOQTEPZCLXGDG-KBPBESRZSA-N 449.499 2.278 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CCCO1 1316085691 DFIDJNMUNSCKKR-XXBNENTESA-N 438.532 2.323 30 10 IEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1316505947 AIOZJOWUGLEVOS-QFBILLFUSA-N 427.505 2.148 30 10 IEEE C=CCO[C@@H]1CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCC)C1 1337648139 COLPUZCLPCYYHH-GOSISDBHSA-N 448.589 2.244 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(c3ccccc3C)=NO2)c1 1357766279 CBEUAYAJYUUTQT-QHCPKHFHSA-N 431.492 2.361 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1358904287 BAXIPZFEFRPGHY-SFHVURJKSA-N 438.642 2.250 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cn3ccsc3n2)CC1 1359039989 DJVHIFKGFKEEEB-UHFFFAOYSA-N 425.562 2.299 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359051401 VPJONGSXKJATGM-QAPCUYQASA-N 440.529 2.182 30 10 IEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](COC)C1 1359209651 ULXOGTOQPOWLLD-KRWDZBQOSA-N 448.593 2.364 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1359214982 QUCHLZDAIWBGQU-IBGZPJMESA-N 440.523 2.226 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2C[C@H]1CO2)C(C)C 1359265247 BUDHHHRCJOLIQA-MUGJNUQGSA-N 428.581 2.295 30 10 IEEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1359286357 MBFOUTTUAGSUGD-UHFFFAOYSA-N 433.516 2.211 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)COC)C1 1359319445 ZOTNGDUJIFOQQG-SJORKVTESA-N 438.532 2.256 30 10 IEEE C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1446652949 YVKIFFPJULMPIA-CABCVRRESA-N 437.518 2.340 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ncc(Br)s3)C2=O)cc1 1455067397 PEKWADYLZAEIQD-LBPRGKRZSA-N 448.302 2.299 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2cncc(Br)c2)c1 1458023791 FFNBMVMMJLWMCI-KRWDZBQOSA-N 449.330 2.358 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1462457279 HWOSYBCQXLLTLP-RCZVLFRGSA-N 428.492 2.271 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1 1466568398 BNNOBCFQCMLIOR-FZMZJTMJSA-N 426.470 2.110 30 10 IEEE C#CCN(C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCN(C)CC1 1472034257 YBPPHNDKZRBBNC-UHFFFAOYSA-N 441.576 2.308 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)n1 1492736074 TUZRCHFGNPRXSN-HSZRJFAPSA-N 432.532 2.126 30 10 IEEE Cn1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)n1 1503662314 CBWLSLMVNOMJJT-KRWDZBQOSA-N 433.289 2.270 30 10 IEEE C#CCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598744 IEHNMIBXXKIQJD-FJIDUMEYSA-N 442.564 2.177 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1507644923 PTXRXOJPINFXBD-FQEVSTJZSA-N 430.512 2.427 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1507667203 OWLXSWCPHQWCNB-LJQANCHMSA-N 425.558 2.140 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1NC(=O)CC1(C)C 1507700211 OMGJEHOBBRUHOB-GOSISDBHSA-N 440.523 2.110 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC1 1507718998 JOBJDMSJDUSFTN-MRXNPFEDSA-N 440.939 2.004 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507801203 RULRMZVGNMHYBY-LNLFQRSKSA-N 431.562 2.335 30 10 IEEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507941527 LJKRHQNFZZBEDB-UHFFFAOYSA-N 444.561 2.167 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1507999006 KKEIAOBJLVYKGH-VQTJNVASSA-N 441.557 2.281 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1508094009 LWWHHEBLNKIJOF-IBGZPJMESA-N 443.548 2.419 30 10 IEEE CC(=O)N1CCC(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1508207506 NPVSHALUMHKCFA-HTAPYJJXSA-N 432.569 2.173 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c(-c3cccn3C)nnc2N(C)C[C@H](C)C#N)ncn1 1517612704 CDVCSASBRQSFQE-IAGOWNOFSA-N 434.552 2.380 30 10 IEEE COC(C)(C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1517738946 OXXVGFLDHFAQEX-OWCLPIDISA-N 434.541 2.203 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)OC 1519324319 XTCDDFYSJLQCOX-ZWKOTPCHSA-N 428.537 2.235 30 10 IEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539051424 BHZBZEULLYXIPK-UHFFFAOYSA-N 431.562 2.275 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1539257141 PCHBSBJDJARUJI-LJQANCHMSA-N 444.539 2.005 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1539642801 SLRKZUCLHCJTJB-JTAQYXEDSA-N 433.597 2.442 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539759537 UUSSHTBWGIDIOG-QFIPXVFZSA-N 429.496 2.305 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1539981212 DINBBTMVCNUUES-MRXNPFEDSA-N 438.623 2.238 30 10 IEEE CC(C)[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1CCOCC1 1540549222 GLLRDUHFRGQKKU-CXVUKDAWSA-N 434.581 2.246 30 10 IEEE CCO[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C1CCOCC1 1540747113 QPKFOZCLNXKQTN-HXUWFJFHSA-N 429.496 2.346 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1540886954 MRMJRELVOHYPMC-IRXDYDNUSA-N 444.923 2.368 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C)C1 1540900536 ZCBPBAFCKZGNFK-INIZCTEOSA-N 427.530 2.319 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1(=O)=O 1541106898 CGZDMYXGVBSTOC-YOEHRIQHSA-N 432.506 2.416 30 10 IEEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)F 1541358544 BBRBBNDFUCGFDH-UHFFFAOYSA-N 445.518 2.367 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)COC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375365 JLCMNLRYZLLMNK-KRWDZBQOSA-N 438.450 2.014 30 10 IEEE N#CC1(CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)CCOCC1 1558776488 XGRNUMKYSSKKBN-UHFFFAOYSA-N 437.237 2.183 30 10 IEEE CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC12CCCCC2 1559848924 GPHQVLXCBHEIRG-JOCHJYFZSA-N 427.568 2.485 30 10 IEEE CCN1CCN(CCCCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1585129071 OYCHAALNKSZHBF-UHFFFAOYSA-N 429.414 2.442 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1587989736 OAHSGPCBCSPGCW-UXHICEINSA-N 427.574 2.087 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2OCCC2(C)C)n1 1588722585 DIAGCOMGKZYLQL-WOJBJXKFSA-N 442.564 2.427 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC2(O)CCC2)CC1 1588913878 RXUAXQYLQASGRS-UHFFFAOYSA-N 425.508 2.355 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1589208243 YRTYZQRUEDOFIZ-WZONZLPQSA-N 435.532 2.363 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1593844646 DIQMCFPMULHWOZ-IBGZPJMESA-N 444.967 2.449 30 10 IEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1 1594992999 XPRKONANGKTSOM-HKBQPEDESA-N 442.633 2.176 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1595165283 DZZJOVZALWKTKM-NRFANRHFSA-N 438.580 2.102 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@H]1NC(=O)CC1(C)C 1595244112 RTGAAPAWZUKTEJ-QGZVFWFLSA-N 428.537 2.159 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1595501356 QRIMHTZORBVXFX-SFHVURJKSA-N 449.540 2.462 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1595754866 QTAUILFJRXUJRK-MISYRCLQSA-N 443.523 2.394 30 10 IEEE Cc1cc(CO)cc(C)c1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1596675440 YJQUIHJWUGJICB-UHFFFAOYSA-N 441.553 2.385 30 10 IEEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N)N(C)C(=O)OC(C)(C)C 1596781365 AWUIFIITVGAXBU-HOTGVXAUSA-N 433.557 2.365 30 10 IEEE COc1cccc([C@H](C#N)NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c1OC 1616488113 LSPYRUAGKGNUGO-OYHNWAKOSA-N 449.479 2.360 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1617969229 FRJWFBCMKYQEOP-NRFANRHFSA-N 434.548 2.033 30 10 IEEE COc1cc(Br)c(N)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1618729417 AXAWXDGWBPTFHU-QGZVFWFLSA-N 443.301 2.442 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1618851455 CGSDLDGDRJSIKW-IBGZPJMESA-N 440.573 2.255 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 1625623386 HIDGFUGXZQYAGW-LJQANCHMSA-N 428.533 2.392 30 10 IEEE CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628306645 SXRIYPCKDDRVSQ-CVEARBPZSA-N 440.363 2.229 30 10 IEEE Cc1[nH]nc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1I 1628324540 JDAGWDIXSROJKQ-UHFFFAOYSA-N 435.269 2.152 30 10 IEEE C=CC1(CC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CN(C(=O)OC(C)(C)C)C1 1635837151 CPPDEWWXIMDBEV-OAHLLOKOSA-N 434.489 2.084 30 10 IEEE COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCN(O)C3=O)C2)c2ccccc12 1637667734 ILKLWXXFQWARSP-BEFAXECRSA-N 425.485 2.197 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(I)cn2)[C@H](C#N)C1 1638203795 WQNZGWMGSLAIKW-ZWNOBZJWSA-N 442.257 2.175 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCS(=O)(=O)[C@@H](C)C1 1639207181 UJPZABPPHOXIPB-WCQYABFASA-N 445.335 2.180 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1639270274 SLKFEQICOOXWEE-RBUKOAKNSA-N 444.532 2.442 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1[C@H](O)c1ccccn1 1640073663 DPWHVUTYYNCKIK-VFNWGFHPSA-N 436.493 2.340 30 10 IEEE N#Cc1cccc(Br)c1N1CCC(C(=O)NCCCN2CCOCC2)CC1 1642301966 BFDIBOIKXBPCOH-UHFFFAOYSA-N 435.366 2.376 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1645745909 KWAVTHLHSPDARQ-CTNGQTDRSA-N 433.574 2.074 30 10 IEEE Cn1ncc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1-n1cnnc1 1645937765 NKUZIKAOSMKQAI-IUCAKERBSA-N 444.286 2.244 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1648820453 SOZOBSWXHHIUSL-QAPCUYQASA-N 446.495 2.314 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)c(F)cc3C#N)CC2)cn1C 1650847197 IOHFBAJZBBIISC-UHFFFAOYSA-N 431.415 2.269 30 10 IEEE N#Cc1cccc([C@@H](O)CN2CCNC(=O)[C@H]2c2ccc(I)cc2)c1 1656363572 FHIBMOQRCQTDGM-ZWKOTPCHSA-N 447.276 2.369 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)NCc2nc(C(F)(F)F)no2)cc1Br 1663305832 HKMRELDKLRONIZ-UHFFFAOYSA-N 429.149 2.340 30 10 IEEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1675315950 UAVWBXOKHIMWSB-HXUWFJFHSA-N 428.533 2.447 30 10 IEEE COC1(OC)CC(CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1 1676855512 WORDSCJXOGVNJJ-UHFFFAOYSA-N 426.521 2.266 30 10 IEEE C#C[C@H](NC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)c1ccc(Br)cc1 1683512331 KJBFPQFFBQPTGL-PBHICJAKSA-N 442.379 2.436 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1690058873 CTYMCDRQRYLHCL-INIZCTEOSA-N 435.525 2.052 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1690082634 JGDJQKDNOZCVCR-UHFFFAOYSA-N 449.559 2.115 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)cc2C)CC1 1690146833 YIMJNTOKCQXZJV-HXUWFJFHSA-N 439.535 2.438 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](CC)C1 1690239512 XSIFYOOXVPEGIF-HZMVEIRTSA-N 443.639 2.201 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690316181 ZLTNSAJXSJBNBV-NRFANRHFSA-N 426.565 2.015 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N(C)C)CCSC1 1690518643 QFNNTJDQDTUNBU-FQEVSTJZSA-N 435.619 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(C)C)CC1 1690665702 MVUKTCMJGIFCSL-UHFFFAOYSA-N 442.564 2.185 30 10 IEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690738136 HEYNPAYIVFTYTD-HNNXBMFYSA-N 439.582 2.474 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1693163399 OEBNKNSNLLIZSR-QZTJIDSGSA-N 429.546 2.413 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1695407827 BVVONYCUNVHOPB-IBGZPJMESA-N 437.548 2.084 30 10 IEEE COC1(C)CN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697214208 QSCMSERLSJHUND-ZPHPHTNESA-N 442.907 2.350 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(OC)CCOC2)c1 1697302447 CJIXXRCXCRXMNB-NHCUHLMSSA-N 431.468 2.210 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1705477019 IIBLAAPCXWRTAF-CVEARBPZSA-N 431.924 2.388 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2ccccc2)C1 1705524258 IIQRECVDAGZJAD-IEBWSBKVSA-N 431.562 2.097 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1705564478 OPMAQVUQVGCHFW-SFHVURJKSA-N 431.562 2.172 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1705599305 KFBSXPHWSQPQMM-UHFFFAOYSA-N 442.523 2.165 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705608538 VTIJVFSYWTVCKP-AWEZNQCLSA-N 439.944 2.479 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)C 1705668544 OMJAKSQYMVSJHL-RYLXDESZSA-N 437.610 2.332 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1705840741 AJEYIWOKTQQFIK-QFBILLFUSA-N 438.532 2.349 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)C1 1705904566 RTXVCEYVDBECCG-XMSQKQJNSA-N 427.505 2.098 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1705926563 GUNPROWJWALLTA-FCHUYYIVSA-N 440.592 2.402 30 10 IEEE Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1707615515 GROUEIYOFPDKTC-UHFFFAOYSA-N 444.543 2.366 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CC#N 1709010770 AKPOOVHICGLBDL-AWEZNQCLSA-N 437.508 2.017 30 10 IEEE COC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1711487438 CAIIUQLXFGCBRB-GOSISDBHSA-N 442.568 2.185 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1722295246 UXZUBKFWNDCJQZ-MRXNPFEDSA-N 435.532 2.218 30 10 IEEE C#CCCCCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722323787 XOTYBBDSBOWYMH-QHCPKHFHSA-N 431.581 2.475 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCSC1 1722418076 DKQPZWQSAMWLIX-OAQYLSRUSA-N 426.521 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(F)cc2)CC1 1722446089 MJGFDRBSTUUPPN-UHFFFAOYSA-N 433.491 2.083 30 10 IEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722477128 CBXGEROWNNIYAI-HNNXBMFYSA-N 439.402 2.445 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2n[nH]c(C)n2)CC1 1722576359 MOBBYVTZZZOOAG-UHFFFAOYSA-N 441.561 2.420 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1)C1CC1 1722643830 CLFIZAQNVNXRKB-UHFFFAOYSA-N 443.573 2.262 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1722655300 AYOKVSZLCIHXSK-UHFFFAOYSA-N 445.589 2.434 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N(C)CC)C1 1722715081 NHZLVIBBPXULMN-KRWDZBQOSA-N 429.521 2.222 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN(C)C(=O)OC(C)(C)C)n1 1726057398 GLPDTPYQJOOITI-NRFANRHFSA-N 446.531 2.449 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)OC 1726845696 HHTXDFVDCMETFO-QFBILLFUSA-N 425.537 2.339 30 10 IEEE CCC(CC)[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)N(C)C 1727168601 OYMLUXMDQPKBBM-JTAQYXEDSA-N 448.612 2.414 30 10 IEEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1729285268 XESGGCKUEYBEAV-QZTJIDSGSA-N 429.546 2.320 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1729409185 CFNSTIZJDSPUBG-IBGZPJMESA-N 429.546 2.115 30 10 IEEE COc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1730167292 ZMEMVXBXQBEUMX-HNNXBMFYSA-N 426.427 2.328 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1740545534 AUSMSCXJFZEMOX-CQSZACIVSA-N 449.540 2.301 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740638450 JKAZSAUVFGSGMV-PKTZIBPZSA-N 433.556 2.207 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1740663254 DIRPGCCORLHTTI-QHCPKHFHSA-N 435.532 2.407 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(N)=O)nc1 1740678509 NIXYJXKJVNHVMI-HXUWFJFHSA-N 434.475 2.451 30 10 IEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740783004 CDGVNBGEJUTKAJ-LJQANCHMSA-N 426.496 2.351 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740873706 FEWCXWIEENAIGO-GOSISDBHSA-N 425.493 2.430 30 10 IEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740875088 RBWJLHQKOWNMIU-SFHVURJKSA-N 438.580 2.271 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1C 1740892270 DTTPZLVMGRVUDW-UHFFFAOYSA-N 428.566 2.259 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740951953 QSAWAYUHAZZAEA-UHFFFAOYSA-N 430.578 2.472 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3ccccc3C2)C1 1740970087 DNWXCEFNYJGEOP-NRFANRHFSA-N 438.576 2.256 30 10 IEEE C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1741851342 WKXFLCRVRJSPOR-HKUYNNGSSA-N 441.555 2.460 30 10 IEEE CCCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1745791062 WMZNUPWOGXRHLE-QGZVFWFLSA-N 438.305 2.014 30 10 IEEE CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1746100218 WKLJUNFAXHXCSG-HTXNQAPBSA-N 425.449 2.226 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748678724 XOZWGYPBDZFZPR-XXBNENTESA-N 430.556 2.337 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1748817016 CHVURHAXMHABPE-DLBZAZTESA-N 434.587 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748848399 DAQBMHLLGCBBHJ-QFIPXVFZSA-N 444.539 2.312 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748965767 VXBFKWMBQZPGQG-HSZRJFAPSA-N 425.508 2.105 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](OCC)C(C)C)CC1 1749014404 IQRINUQXDQEWPO-WOJBJXKFSA-N 431.581 2.199 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1749140645 RSFPCLNIFXQHCN-DXIQSLLYSA-N 430.553 2.281 30 10 IEEE C=C(Cl)Cn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749281929 PLVBVSGUEBLYQV-DBVUQKKJSA-N 426.945 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1749721496 LTNWVJCKYVMARE-QGZVFWFLSA-N 439.626 2.379 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1749724835 NXEVJSBIRDAAGS-UHFFFAOYSA-N 442.589 2.196 30 10 IEEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1749758041 IDMHDIPFXFCEGF-UHFFFAOYSA-N 427.582 2.160 30 10 IEEE CS(=O)(=O)CC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750199222 WSUBBVPMFXOHEU-IBGZPJMESA-N 448.480 2.120 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1751094261 GUZFBMNBYPSZPV-JKSUJKDBSA-N 443.556 2.308 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760135378 TUINYVJDROCFOO-XXBNENTESA-N 449.603 2.441 30 10 IEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1Cc1cccnc1N1CCOCC1 1760176423 KKGGGJMXSCPXQG-UHFFFAOYSA-N 432.528 2.249 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(S(=O)(=O)NC)c1 1760213714 MYBYPVIGDXVEFJ-UHFFFAOYSA-N 437.525 2.266 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)nc1 1760233890 QMAGOTNBGPPGLK-UHFFFAOYSA-N 445.575 2.421 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCC[C@@H]2CC)CC1 1760261976 XQJMGEGTIKYEKB-QFIPXVFZSA-N 438.624 2.159 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760267066 TYKDONUOSLVTDC-IEBWSBKVSA-N 425.533 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCN2CC)CC1 1760271586 CXHKNFCYGOPTCW-FQEVSTJZSA-N 440.617 2.381 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1760282275 YXUGPVIOWHZPKC-LJQANCHMSA-N 441.557 2.249 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760465088 WQAWSACIVYVIIO-HZPDHXFCSA-N 441.598 2.448 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C 1760516696 SZBBGGVGAQOZOZ-MSOLQXFVSA-N 440.548 2.004 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](OC)C1 1760527905 LYHBLIYWZPKZFN-INIZCTEOSA-N 431.562 2.496 30 10 IEEE CCN(CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1766644533 WHNCELVGVMDFMS-MRXNPFEDSA-N 446.577 2.004 30 10 IEEE COCCN(C)CCn1c(C(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769782971 GKEXCZLMDJUAJD-UHFFFAOYSA-N 425.581 2.174 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1CCCCO1 1769843733 VKNDBUBMXGRFPR-INIZCTEOSA-N 430.509 2.331 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1770727932 KNTRHGOYGAWGRF-VGOFRKELSA-N 437.454 2.265 30 10 IEEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1770788189 GHJBENBWHFXZPK-OAQYLSRUSA-N 442.539 2.350 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1CCN(C(C)=O)CC1 1771179882 BXDLTODJLCTMJX-QGZVFWFLSA-N 432.569 2.391 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCN(CC(F)(F)F)C1 1771281577 MYWNTFDEHOIBRY-QAETUUGQSA-N 444.502 2.482 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1771348539 WZKJRTSNYJUSQG-KRWDZBQOSA-N 429.546 2.257 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccnc2)CCO1 1771535854 AYWOVKZZSOKAGZ-HNNXBMFYSA-N 428.294 2.402 30 10 IEEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1774162303 VMJQLLQMECNOIQ-YWZLYKJASA-N 434.518 2.113 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1C#N 1851939390 RAHHONRTEUPNML-GFCCVEGCSA-N 449.389 2.388 30 10 IEEE C[C@H]1C[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)N(C(=O)OC(C)(C)C)C1 1852534957 KRSYPHJNEDTYLK-HKUYNNGSSA-N 443.548 2.264 30 10 IEEE NC(=NOCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(OC(F)(F)F)cc1 1853475052 APKCNDKVHOBMQZ-UHFFFAOYSA-N 437.422 2.356 30 10 IEEE C[C@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(=O)cc1C(=O)O 1857886951 LATCZODWHJSYSL-RYUDHWBXSA-N 445.497 2.003 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1858964098 LURDAWMPYDFUCZ-UHFFFAOYSA-N 449.441 2.134 30 10 IEEE C=CCN1C(=O)c2cccc(OCC(=O)Nc3nc(CC(=O)OCC)cs3)c2C1=O 1865827468 CMINANLECIUZAU-UHFFFAOYSA-N 429.454 2.048 30 10 IEEE COc1ccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1O 1874340175 DNGGQVVOABOMHA-UGVMZYNRSA-N 433.534 2.073 30 10 IEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1C(=O)O 1874470441 GBLBZUIYSCFDQK-SSDVNMTOSA-N 443.485 2.049 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 1897688808 PQNBNRSRGLVSED-HZPDHXFCSA-N 427.542 2.192 30 10 IEEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1902431766 RCTQCAZORBJVHY-RTBURBONSA-N 436.574 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2063394051 YPUSQJSHHOXZNC-JOCHJYFZSA-N 432.326 2.296 30 10 IEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CO 2216866761 DZOSSQIPTQIPRH-ZHCJQAHYSA-N 439.553 2.046 30 10 IEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224126780 BJEUDGLWMVKBAT-DLBZAZTESA-N 433.358 2.309 30 10 IEEE Cn1ncc([C@@H](C#Cc2ccccc2Br)NN)c1I 2227468946 BWFBTLSEBVVLDP-GFCCVEGCSA-N 431.075 2.343 30 10 IEEE C[C@H](CN(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243388709 CUFOUYTYZQCGTL-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C=C(CS(=O)(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2243415742 ASSOGONIPMQZQR-AUUYWEPGSA-N 428.360 2.103 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2247832658 RZOJHNFWPYUMPW-BETUJISGSA-N 435.355 2.276 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2248406170 WCGLWHMFJIHFJZ-HNNXBMFYSA-N 440.733 2.463 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](O)COCc1ccccc1 2255622885 GSHOGKBAZXZLJA-QGZVFWFLSA-N 446.378 2.400 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255698810 LJECOXAOHSKQNA-YOEHRIQHSA-N 431.342 2.366 30 10 IEEE CC1(C)OB(c2cnsc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2255840848 SNWAZGPCLJJGML-KRWDZBQOSA-N 438.362 2.292 30 10 IEEE CC1(C)OB(c2ccccc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255860288 AJMMFZNKFUPLBD-LJQANCHMSA-N 426.244 2.269 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255878225 VFRLPVCALBBWTG-UHFFFAOYSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256928898 XEHWJDTVWZDAOR-BBRMVZONSA-N 438.305 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258958103 TYDFZONNLOKPEG-AOMKIAJQSA-N 434.342 2.011 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267184046 RVJTWVIQGLWJKU-HOCLYGCPSA-N 448.373 2.095 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)n1 2267184791 ONFBYTWCBQXLDG-INIZCTEOSA-N 448.373 2.143 30 10 IEEE Cc1nn(C)c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267505140 DDZWAWYPGHHMHS-GASCZTMLSA-N 448.373 2.061 30 10 IEEE CCc1nn(C)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267508243 BMPSVHBFWSFYOH-HDJSIYSDSA-N 448.373 2.067 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267614932 VKZUZWPXBMZEFV-HZPDHXFCSA-N 446.357 2.294 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267873065 NJOVYDDKLQRPAN-GJZGRUSLSA-N 446.357 2.294 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2282666023 DUHRDUFGBKWUST-IRFCIJBXSA-N 448.376 2.416 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@@H](N)C#Cc1ccc(Br)cc1 2313875364 TZPDJKBUNIBBQI-LSDHHAIUSA-N 431.352 2.066 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1C 2337185960 OPWZBDWJTARYQF-CYBMUJFWSA-N 448.373 2.013 30 10 IEEE CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccncc3)n2N)c(C#N)c1C 59044401 JIEKAQJNOZALQI-UHFFFAOYSA-N 443.514 2.203 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 105354191 QMMATYNWXHAQND-UHFFFAOYSA-N 445.570 2.152 30 10 IEEE Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H]3CC[C@H](Oc4ccc(C#N)cn4)CC3)cc21 238961753 YNUINDBDPIVTGM-SHTZXODSSA-N 428.470 2.067 30 10 IEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 409503227 QOEXRYMRKQSQOF-NRFANRHFSA-N 444.557 2.141 30 10 IEEE COc1cc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)ccc1C#N 427141537 DDUOLNZJPSBTKI-XMMPIXPASA-N 430.464 2.325 30 10 IEEE Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2CCC(C#N)CC2)c1C 442981966 JYFKVPAOESNOHK-VFUGHAIPSA-N 447.601 2.490 30 10 IEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 460371048 SYKLVRGSSUGLNU-OAQYLSRUSA-N 434.544 2.478 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460950933 SXTBMGGAMKHQBW-UHFFFAOYSA-N 444.561 2.070 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cn1 462097893 SPVBUAHOORMIGD-UHFFFAOYSA-N 433.447 2.197 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 462459256 YJPWKEVIACPPGM-UHFFFAOYSA-N 425.283 2.366 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 475650744 XPNASVRODZUBSO-FQEVSTJZSA-N 426.517 2.402 30 10 IEEE CCOc1ccc(NC(=O)COc2cccnc2C#N)cc1S(=O)(=O)N(CC)CC 477059967 SKSUOPNWBXMOLV-UHFFFAOYSA-N 432.502 2.400 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc2cc(I)ccc2n1)C(=O)OC 481782102 DHFBHBPOUWIEHK-HNNXBMFYSA-N 440.237 2.313 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)c3ccc(Br)cc3)C2=O)cc1 489187307 UYORVRSWQLBTCR-QGZVFWFLSA-N 426.270 2.421 30 10 IEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 502983065 JUERDQLYCNLYTM-HSZRJFAPSA-N 444.532 2.283 30 10 IEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncnc3sc(C)cc23)CC1 508802929 UHWITVWCRWPULX-UHFFFAOYSA-N 438.561 2.340 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 508909203 YCPVTJDHJYHEMD-UHFFFAOYSA-N 433.472 2.465 30 10 IEEE N#C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1Cc1ccccc1 510136923 UIBDJFUVWCUNLJ-ZWKOTPCHSA-N 437.456 2.029 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@@H]2CCCO2)cc1C 521669553 BEWXNNCCTGDGTG-FQEVSTJZSA-N 445.544 2.487 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccnc2Oc2cccc(OC)c2)CC1 525514879 OFXYWJVVHBAMQI-UHFFFAOYSA-N 439.516 2.012 30 10 IEEE N#CC1(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cc2)CC1 538494800 UGDHKHOOSGCKJJ-UHFFFAOYSA-N 440.481 2.297 30 10 IEEE CC1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)CC1 585472246 KGYVPROSEULVNJ-UHFFFAOYSA-N 426.546 2.095 30 10 IEEE Cc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc(N2CCCCC2)n1 585477673 UCZGBHCQULAVCJ-UHFFFAOYSA-N 426.546 2.158 30 10 IEEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)c1ccc(F)cc1 602023663 PUQOWDCHCXLVPO-OAHLLOKOSA-N 426.267 2.248 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4cn5ccccc5n4)CC3)cc2C1=O 679017411 GWXPIBIJCMVRBU-UHFFFAOYSA-N 429.480 2.074 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 732423774 AMOUTJRWRRBUSW-VXPUYCOJSA-N 425.489 2.351 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(C#N)cc1 740211702 VMUPIOKWYAITDD-SXHVTTPXSA-N 441.484 2.452 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 744947816 GTGTWZPFRLXDDX-YVWKXTFCSA-N 427.501 2.260 30 10 IEEE COc1ccc(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1C#N 746959142 GPUBTQRBHXCCIK-UHFFFAOYSA-N 439.493 2.471 30 10 IEEE CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747496023 XXJIIRXFRPTHEG-UHFFFAOYSA-N 438.484 2.069 30 10 IEEE C=CCN(C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1nc(C(=O)OCC)cs1 749128424 PESIHBSLYBKXID-INIZCTEOSA-N 445.476 2.098 30 10 IEEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 751621444 BGCRPSRXTQYWNF-IEXSPKMKSA-N 431.495 2.353 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C[C@H](C)C#N)C3CC3)c2)CC1 754174006 BZBTZSNDFHAHQM-OAHLLOKOSA-N 438.981 2.430 30 10 IEEE Cc1cnn(Cc2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)no2)c1 755563255 GXCCYZPEHUBILY-CLCOLTQESA-N 442.501 2.293 30 10 IEEE Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1C 763941006 NVGAOYWADAMAEL-LKUDQCMESA-N 442.541 2.485 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(Br)cc1Cl 769847561 AJXVCQSHZXFADK-AWEZNQCLSA-N 437.699 2.192 30 10 IEEE Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N(C)[C@@]3(C#N)CCOC3)cc2)cc1 769850273 PVLYHHPKIWUKBT-LJQANCHMSA-N 436.511 2.066 30 10 IEEE CCOC(=O)CON=C(C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)c1cc[nH]n1 772155595 SDUBSIQUGFEVDI-UHFFFAOYSA-N 434.880 2.169 30 10 IEEE CN1C(=O)N(CC(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(=O)C12CCCCC2 778750192 VKIRZBKZCBZDQJ-GOSISDBHSA-N 438.484 2.194 30 10 IEEE CC[C@@H](CC#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 787085870 FYUQPTYMNADTLZ-LBPRGKRZSA-N 431.308 2.319 30 10 IEEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1c(F)cccc1Cl 795327913 LZTIYJYVNXIFBE-KRWDZBQOSA-N 440.836 2.087 30 10 IEEE C#C[C@H](NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)c1ccc(F)cc1 812934491 WXIFQUKYLIIZFJ-INIZCTEOSA-N 435.443 2.498 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n[nH]2)cn1 1084288726 NHKVRHOFOZYUSX-UHFFFAOYSA-N 425.522 2.430 30 10 IEEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1084529880 PMFMJPJJGTZPNJ-UHFFFAOYSA-N 439.567 2.407 30 10 IEEE C=CCO[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1116553649 QHNRQYYLGOSVHM-HNAYVOBHSA-N 436.306 2.020 30 10 IEEE N#Cc1ccccc1N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1125689838 XSOYPOURBWVJEV-UHFFFAOYSA-N 438.553 2.380 30 10 IEEE CC1(C(=O)NC[C@@]23COCCN2C(=O)OC3)CCN(c2ccc(Cl)cc2C#N)CC1 1132714040 GICQYBYUWHRJDK-NRFANRHFSA-N 432.908 2.156 30 10 IEEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(F)c(Br)c1 1134279847 RDZSBXMEGHBPBW-BNLOLNQZSA-N 429.311 2.479 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1255412965 JPPIGYRUPQJFHF-ZBFHGGJFSA-N 427.496 2.260 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 1264687818 LDHXVGWLTADKGG-MHECFPHRSA-N 441.528 2.338 30 10 IEEE CCn1c(NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)nc2cc(C#N)ccc21 1267000594 SWDWPSMFRQCBKQ-HNNXBMFYSA-N 425.489 2.447 30 10 IEEE CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CC[C@](C)(C#N)C1)n2CC(C)C 1280275874 RYTWKEUEFDNPSA-JOCHJYFZSA-N 428.537 2.449 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC1(S(C)(=O)=O)CC1 1286303888 DEWMFFLCEQCPOT-INIZCTEOSA-N 432.546 2.291 30 10 IEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1286387252 CAPBQIYJMWBWRD-FQEVSTJZSA-N 439.541 2.479 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286387809 IMCHTXMOTXGAAY-UXHICEINSA-N 441.557 2.259 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286562073 QCTWAXLQLCZZHL-SXLOBPIMSA-N 441.580 2.401 30 10 IEEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)CC1 1286693280 XRWVXQDVEOMAEY-UHFFFAOYSA-N 441.561 2.383 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1286754389 PJBWPQJYFGPVGS-MRXNPFEDSA-N 430.578 2.389 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286784686 QBONUOMYOAHEEJ-UHFFFAOYSA-N 442.539 2.470 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1288099394 AEYCASIMSNCSRY-VBKZILBWSA-N 437.520 2.114 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1C 1289743907 UDQNYWMRKLSCAS-IRXDYDNUSA-N 446.458 2.300 30 10 IEEE C#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Br)cc1 1298542157 UCQGXMBNEZJMRE-DLBZAZTESA-N 446.276 2.053 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCC[C@H]2C)c1 1300332959 RLDOIUOVJPZHFO-OSPHWJPCSA-N 445.527 2.342 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1300422171 YJRPKAMEVLKKIH-UHFFFAOYSA-N 427.553 2.468 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300482827 HZTCCHYFMXHWLC-OAHLLOKOSA-N 431.543 2.172 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(OC)CCOC1 1300638570 FGZTVDVTQWGWMV-NHCUHLMSSA-N 431.468 2.113 30 10 IEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@@H](C)C1 1300743082 HEZPTVUFIXGDHL-INIZCTEOSA-N 434.587 2.330 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(N2CCNC2=O)CC1 1300767092 QPROLVUVIJBOTN-UHFFFAOYSA-N 430.603 2.291 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1300772490 LFKANXDTITXUHK-UGKGYDQZSA-N 427.505 2.149 30 10 IEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301190467 TVLDCPZNWAMTCQ-SFHVURJKSA-N 435.536 2.152 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301490953 JHQNZHLOHANIIE-UHFFFAOYSA-N 439.545 2.036 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301491988 UFKQOZXYMADCBD-CQSZACIVSA-N 440.445 2.459 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1301507334 ZNFNOPZNROPQKC-UHFFFAOYSA-N 442.539 2.005 30 10 IEEE N#Cc1cncc(CNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c1 1303863461 BOXMAAGTWITRGY-UHFFFAOYSA-N 426.523 2.466 30 10 IEEE COC(=O)c1cccc2c1CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)CC2 1307871437 BQWHEEQDVZKXBW-HXUWFJFHSA-N 438.553 2.302 30 10 IEEE CCn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312468125 DXAVCEZADBMPAL-KFWWJZLASA-N 449.581 2.235 30 10 IEEE CCOc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1314208470 CHIGALPYZJCNON-OXQOHEQNSA-N 433.509 2.069 30 10 IEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CCOCC1 1315851770 SPWNDIUXTWGIKV-LJQANCHMSA-N 441.532 2.397 30 10 IEEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1316032470 GDSXGMLQIAQKEC-NRFANRHFSA-N 446.577 2.362 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1316269081 XKAIPMDUCLIOJX-QFIPXVFZSA-N 427.505 2.009 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1CC1CCN(C(C)=O)CC1 1316279834 KURPVQSWUSBFMY-SFTDATJTSA-N 444.580 2.391 30 10 IEEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1352079785 XPHFTNAIJVDMQW-UHFFFAOYSA-N 427.530 2.354 30 10 IEEE N#Cc1ccc2c(c1)N(C(=O)c1ccc(I)cc1-n1cnnn1)CC2 1358260842 PIEXHVZMSZDIEE-UHFFFAOYSA-N 442.220 2.341 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@H](C)C1 1358949625 IZWCVSVEBMPBHV-UEXGIBASSA-N 425.533 2.359 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccsc2)CC1 1359060546 ZBAJVAJYDPVPFB-UHFFFAOYSA-N 444.630 2.151 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)CC 1359074265 WXNPQJXLXJMMDC-OAQYLSRUSA-N 432.546 2.293 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1359159128 NWLBDZMRFVPTRM-QRWLVFNGSA-N 437.541 2.092 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359226303 BTMJUWYKOGQLJS-RTWAWAEBSA-N 433.597 2.313 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1359476271 APTZCPDTUFUTRL-HOTGVXAUSA-N 444.561 2.409 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1359893845 OZOVAUMQADMDOF-GJZGRUSLSA-N 442.607 2.050 30 10 IEEE Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)ncc1C#N 1437476383 CRKWDZPTXPDTBW-ZFWWWQNUSA-N 440.422 2.255 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1442549934 WNIXVSGPNFDLLI-IBGZPJMESA-N 447.557 2.497 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(CCC#N)c2ccc(F)cc2)C1 1443374818 WVPBHBZXCWGBRU-QGZVFWFLSA-N 439.509 2.497 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1447860388 DGUKHOHFYMLVDL-CVEARBPZSA-N 425.526 2.045 30 10 IEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@]1(O)CCc2ccccc21 1460281460 FUCPDZWNUOPCEA-NOZRDPDXSA-N 436.531 2.300 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1464488304 MWBPQDAAUSHJRQ-PMPSAXMXSA-N 431.961 2.412 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1466017915 JCBBHAAVOTVFKS-QUCCMNQESA-N 444.532 2.388 30 10 IEEE N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C1CC1 1471552372 JNBGIKAWQLIBOS-RLLQIKCJSA-N 429.542 2.484 30 10 IEEE N#Cc1cncc(CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 1471965682 ACVODSXPQQXRNW-UHFFFAOYSA-N 432.811 2.220 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2COCCO2)C1 1505311639 CWTJQFSAKYOGNT-CXAGYDPISA-N 439.289 2.283 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1507523250 KDZLCQYAWMTQBY-OAHLLOKOSA-N 437.504 2.021 30 10 IEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1507564054 MBBNRVORGGUCAL-IBGZPJMESA-N 449.552 2.190 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507633746 GSSXSMFZCLMAGA-IBGZPJMESA-N 439.516 2.078 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCO[C@H]1CCOC1 1507643814 SIVMROHIQGRORA-INIZCTEOSA-N 432.322 2.304 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1507686715 GNCCVXUTNXKWHE-SFTDATJTSA-N 436.560 2.071 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1507711416 UTMMQPZYSRBASW-MRXNPFEDSA-N 432.908 2.341 30 10 IEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(=O)NC)C1 1507840045 IUAHLGLKFXNSIG-IBGZPJMESA-N 436.516 2.037 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507868529 ALUXFWVBILNFIH-INIZCTEOSA-N 449.968 2.153 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC(C)(C)C2)CC1 1507876912 ZCLPVUDYSQRTMG-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507983907 YNAUBNGKHJDVCM-QGZVFWFLSA-N 441.502 2.415 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1508024515 KTCRAXBDPGIPLW-FQEVSTJZSA-N 440.573 2.197 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1508080886 FNUXHWZRHUYXFQ-UHFFFAOYSA-N 447.543 2.115 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H]1CSC 1508086063 XLIMQSYENSLXSY-KRWDZBQOSA-N 425.562 2.151 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1508092512 ZMAZQKWIPNUGQW-INIZCTEOSA-N 446.502 2.079 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1508104146 IPNGVIYVZQDHAW-UWJYYQICSA-N 445.520 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508139392 GEUBGNMIVIUNON-GOSISDBHSA-N 445.589 2.381 30 10 IEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1509608044 IBKXROCEKCIGOR-OAHLLOKOSA-N 433.557 2.460 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCN(C)C 1509937325 BFQYMBRITMSYKC-AWEZNQCLSA-N 438.374 2.363 30 10 IEEE CN(CCc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517270263 RLCJMXBGSHGKGF-UDJKBAMHSA-N 442.545 2.049 30 10 IEEE N#C[C@@]12CN(C(=O)C3(c4cc(F)cc(Br)c4)CC3)C[C@H]1CS(=O)(=O)C2 1536179711 LRLDFBYSDSVYOB-LRDDRELGSA-N 427.295 2.017 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1539140272 SFYWOBCYKDIJJC-UHFFFAOYSA-N 426.521 2.131 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539202437 IWECEHLJOCBOGQ-MSOLQXFVSA-N 435.619 2.393 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539220677 UUNMVGIUZYVGFV-KNQAVFIVSA-N 448.564 2.042 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1ccco1 1539325791 NQWQTLJKIMLVRL-NRFANRHFSA-N 445.479 2.277 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](C)C1 1539517250 KRLXNKRSLMOEJD-HDICACEKSA-N 441.605 2.432 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540036340 MCZURQJTQHGGBP-MRXNPFEDSA-N 445.486 2.270 30 10 IEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCc1ccccc1 1540080572 ISJSBIVPGQGVDH-UHFFFAOYSA-N 429.528 2.498 30 10 IEEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C(C)=O)CC1 1540087337 WUTTYBZQNYRFLP-UHFFFAOYSA-N 426.565 2.260 30 10 IEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)c1 1542173242 CRMMXJYUDFETGK-LJQANCHMSA-N 438.532 2.248 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c1 1543147702 IMXRVENAGMCLTF-UHFFFAOYSA-N 426.538 2.246 30 10 IEEE CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cn1 1547275363 BBLLIPHFWFGVNH-WBVHZDCISA-N 432.550 2.151 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CCOC1 1547917888 CDIZDNQWXLISSW-JZJXAQOMSA-N 433.553 2.110 30 10 IEEE Cn1ccc(C(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(CO)C2)n1 1548366411 UKSRHJDOQAAXER-QRWLVFNGSA-N 433.434 2.272 30 10 IEEE COCCNC(=O)[C@H]1CN(C(=O)C(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367976 AKBZUKBZCNNEHF-QGZVFWFLSA-N 426.439 2.013 30 10 IEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1554198155 FIIFZJVGWRMWOZ-UHFFFAOYSA-N 429.912 2.239 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1554690220 KGGNGLRGIHSFHD-YWZLYKJASA-N 433.534 2.089 30 10 IEEE COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1554863187 ITDZCBMDOWDMPW-AWEZNQCLSA-N 436.472 2.177 30 10 IEEE COc1ccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@@H](C)C#N)cn1 1554940737 GKIOZHACSITLDR-KRWDZBQOSA-N 447.547 2.500 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CCOCC2)cc1 1555989411 KLYOWNQIDZLJEC-NRFANRHFSA-N 436.516 2.379 30 10 IEEE CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1558630782 QTVOBUMCJWRTKZ-JOCHJYFZSA-N 449.573 2.476 30 10 IEEE Cc1cc(C)cc(OCC(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1 1559653698 AHKRLPFBJSPZDI-UHFFFAOYSA-N 445.519 2.126 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 1563414011 ACJPFKFOWLUDBG-IBGZPJMESA-N 425.558 2.352 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCn3ccnc3C2)c1 1587697605 UUZIKBJSMCMICN-LJQANCHMSA-N 447.543 2.330 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1588012117 XFTOXBDHKBKWGV-HRAATJIYSA-N 429.546 2.067 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588064287 FLFSWFVTWMSYRP-IBGZPJMESA-N 434.606 2.454 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 1588158105 OPHYUVLDQBNQJX-UHFFFAOYSA-N 446.460 2.071 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1588800484 IMCJVEKVWRXAEY-PMACEKPBSA-N 438.624 2.190 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1csc(CC)n1 1593747429 WATVMSNWFIUVLP-HNNXBMFYSA-N 439.607 2.428 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1593800506 PWYLFWNFPBWSRO-UHFFFAOYSA-N 429.912 2.484 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1594552417 NGMHAGRBJONMED-FQEVSTJZSA-N 436.560 2.462 30 10 IEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1595405285 HIVOJCOCMQKKAH-LJQANCHMSA-N 426.546 2.247 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(Cn2cccn2)CC1 1595784782 KSBGSICCYPTOFL-UHFFFAOYSA-N 441.561 2.054 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)C1 1611768989 HUNXUSSKMMOYPJ-LJQANCHMSA-N 434.591 2.096 30 10 IEEE CCc1cnc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)s1 1613837876 IVIVXHBXDLWVQE-LBPRGKRZSA-N 449.562 2.057 30 10 IEEE CCN(CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1615449397 VTXNYANYUORFQI-XUVXKRRUSA-N 448.612 2.284 30 10 IEEE CCN1CCN([C@H](C)Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1615846348 XOJVYWRTMMTGHW-VIZSFHNOSA-N 447.628 2.083 30 10 IEEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(C)(=O)=O)cc1 1619318298 HCHXFZYJIKAODV-FQEVSTJZSA-N 433.534 2.040 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCn1cc([C@@H]2CCOC2)cn1 1619980083 BWVQLRZYAYQQEM-IEBWSBKVSA-N 443.552 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H]2C[C@@H]21 1620638313 ACOACIAJYSJQJH-FGTMMUONSA-N 445.589 2.151 30 10 IEEE O=C1NC(=O)N2CCN(C(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C[C@H]12 1620656248 HZLMMGMKWDRIBV-SNVBAGLBSA-N 427.276 2.352 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1625564888 YEUNSSIVNAULNT-AWEZNQCLSA-N 439.509 2.500 30 10 IEEE C=C[C@](C)(O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCC 1631151914 HMARHRLWEUCVAW-FQEVSTJZSA-N 425.551 2.185 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(CC#N)n1 1633131222 YEFGMQAZDIAHBI-HXUWFJFHSA-N 444.513 2.251 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)CC1 1634998447 GZOQEBXLTXTIDF-KRWDZBQOSA-N 430.505 2.348 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)NCC#C[C@H]2CCCCO2)ccc1Br 1637186361 RUWCQMVIUQGSAD-CQSZACIVSA-N 429.336 2.002 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)cc1 1639973536 DBGNUNLYTLHVJP-MRXNPFEDSA-N 433.436 2.085 30 10 IEEE COCCN(CC#N)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1642102928 HPAHFCURQGMMRN-UHFFFAOYSA-N 432.340 2.138 30 10 IEEE COc1ccc(S(=O)(=O)NCCC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1OC 1643327814 BLHQQQMIRRDAEH-OAHLLOKOSA-N 431.514 2.463 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)Nc1sccc1C#N)C[C@H]2C(=O)OC(C)(C)C 1644460547 GBYWCFKFGOFSAD-DBWCEAHUSA-N 433.530 2.401 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 1648311450 IKFGLFVIIHSPQT-XXBNENTESA-N 431.533 2.204 30 10 IEEE N#Cc1cc2c(n(CC(=O)NC(=O)NC3CCCC3)c1=O)CCN(Cc1ccccc1)C2 1652970024 HNLNVZUCNYQPBX-UHFFFAOYSA-N 433.512 2.047 30 10 IEEE CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)c1cc(Br)ccc1C#N)CC2 1654268335 COTGRQQXTOPRNX-HOTGVXAUSA-N 429.336 2.261 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c1 1655668318 WMWNIBXXEFLEJD-UHFFFAOYSA-N 425.551 2.480 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1 1655792049 QDKSNKNEMCYNHR-CQSZACIVSA-N 434.315 2.292 30 10 IEEE Cn1c(=O)sc2cc(S(=O)(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)ccc21 1660496190 FBGNQLHPYRYJQC-GOSISDBHSA-N 428.539 2.171 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1 1669504004 CCFUHEFUOZIAHO-OAHLLOKOSA-N 431.489 2.177 30 10 IEEE CCC[C@@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)C(=O)N1CCc2sccc2C1 1676936445 FHDQTIOGXAMRRX-MRXNPFEDSA-N 432.546 2.290 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)C[C@H]1CS(=O)(=O)C2 1682530967 COIMNHOSRKAGGM-IXBGWNDUSA-N 442.310 2.155 30 10 IEEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 1684226946 QYMNMVVMDAAGRD-QHCPKHFHSA-N 432.572 2.206 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@]3(OC(C)C)CCOC3)c(C#N)c2N)cc1 1684288108 DCDZTJJBAOOKMW-HSZRJFAPSA-N 440.548 2.451 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2ccccn2)c1 1689871844 GQNXGAXHYGCATA-LJQANCHMSA-N 430.512 2.476 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1689913734 UKMVLIXGIWSXTQ-OALUTQOASA-N 444.605 2.012 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689982303 KNFNEHSSIVOKBZ-QUCCMNQESA-N 442.541 2.273 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC1(CS(C)(=O)=O)CC1 1690010086 VRVMRSKHAXADSA-UHFFFAOYSA-N 433.537 2.391 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCCCC1 1690020052 XURNJCPGFBPYAE-NRFANRHFSA-N 433.512 2.266 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690169490 DQHNNRFRMBFBLC-CQSZACIVSA-N 425.484 2.174 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1690669417 DYLCKSJLEOFOBA-UHFFFAOYSA-N 436.347 2.486 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1692856469 CLMRBYOJOVSBFT-RTWAWAEBSA-N 427.484 2.309 30 10 IEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695967862 CBRRXZGYXMUHSB-QGZVFWFLSA-N 427.509 2.282 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCCCCCO)cc1 1698489059 LMTYKAFPTWPBMI-OALUTQOASA-N 441.488 2.396 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705543283 BEEVZCMYQGKKKR-LJQANCHMSA-N 433.472 2.412 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705558083 JRLHDIZBFFDVHI-VAMGGRTRSA-N 444.624 2.209 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CCC1 1705607343 ZQBXTEVOQAQBBB-MUUNZHRXSA-N 434.587 2.109 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(N(C)C)CCC2)CC1 1705632225 JPHXWZAWJQUHOB-UHFFFAOYSA-N 449.603 2.387 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(Cl)nc2)CC1 1705632446 QJMAKDHFOXQINB-UHFFFAOYSA-N 429.956 2.048 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705709794 DOJYJCRXIUBEOW-QKLQHJQFSA-N 441.598 2.019 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705787533 VOCUEYLIEAELBS-UHFFFAOYSA-N 442.612 2.464 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1705791934 INBGLPPMOKRQIF-QGZVFWFLSA-N 425.599 2.450 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1705830979 ZMQPUWBZSPMBAY-FXAWDEMLSA-N 441.532 2.346 30 10 IEEE C=CCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1705893950 WWJAWFWMNFKRQS-GOSISDBHSA-N 431.459 2.011 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705897098 GFPJNOSYPSNRSV-SLFFLAALSA-N 436.560 2.179 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1706854148 XXGNSOIHDQVCSB-CRAIPNDOSA-N 446.577 2.211 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708607646 ZMTWFLCLSQSSHX-SJORKVTESA-N 439.564 2.437 30 10 IEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1709714519 ASCJFIFVVZIXSD-UHFFFAOYSA-N 425.537 2.437 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC[C@](F)(C#N)C2)C1 1711273919 KADWIYZOOFAMBC-OALUTQOASA-N 449.328 2.216 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1711799155 MJCFGSNKTBQPPJ-FDDCHVKYSA-N 440.523 2.429 30 10 IEEE COCCN(C)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1712422984 LWEGSPSSNOUJJJ-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(C)nn1C 1722388214 RIDVXYLXNIENJJ-HDICACEKSA-N 437.548 2.212 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722530901 DCANHGQPTZIWMV-PZJWPPBQSA-N 426.565 2.480 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722667180 VFQPRJIIYFPBAP-UHFFFAOYSA-N 443.573 2.339 30 10 IEEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1722998368 CITHKSXWYWQUDM-UHFFFAOYSA-N 431.491 2.119 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1724009001 BAQDGARYBRTWOO-GHTZIAJQSA-N 434.610 2.422 30 10 IEEE CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)CC1 1724014660 IJJKXBJLYKNSGG-OAQYLSRUSA-N 444.561 2.205 30 10 IEEE COCCN(c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CC[C@H](C)C1 1730737292 AJLJYRZRTFSTKB-YSRXLGAZSA-N 428.537 2.323 30 10 IEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624873 KZEAJAVDUKBJTM-OWCLPIDISA-N 434.512 2.430 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1740682271 PLBOKRRXAQIMBP-QRWLVFNGSA-N 449.349 2.334 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1740890865 KTFUXGNIBAPYPF-HOTGVXAUSA-N 438.623 2.409 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1740927270 CFTRMAMNCHXYRZ-UHFFFAOYSA-N 440.367 2.435 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1740963363 IOWCEYGLSLTSRL-OALUTQOASA-N 443.548 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740988689 MWAFKYMKPXJPBT-XUVXKRRUSA-N 446.573 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCCCC[C@H]21 1740995036 YDPOSWYIBJUIHZ-QZTJIDSGSA-N 435.594 2.160 30 10 IEEE C[C@H](CN1CCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1741868848 DRWIQXSYBAYJQQ-IIBYNOLFSA-N 426.500 2.099 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@H](C)O1 1745056053 DTZSRXFQSLCJTD-FUHWJXTLSA-N 436.520 2.392 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1748725303 YZUVGXNRSLGAPF-UHFFFAOYSA-N 434.544 2.166 30 10 IEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(S(C)(=O)=O)CC1 1748776684 LZGFUCKZMHLMNL-UHFFFAOYSA-N 441.326 2.493 30 10 IEEE COc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1748941692 DPNPXDRKLIRNBL-IERDGZPVSA-N 446.577 2.270 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)F)c1 1748962565 LFWGQIMSDKPVFO-KRWDZBQOSA-N 438.500 2.252 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749734003 CPXRCNNKGVEHJF-RBSFLKMASA-N 436.500 2.408 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(=O)NCCCC)C2)nnc1C(C)(C)C 1749739641 INVKKNJYHBGGSH-KRWDZBQOSA-N 439.626 2.309 30 10 IEEE CC(C)(O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1750532080 ZOUQAMRHARAFOF-QGZVFWFLSA-N 448.568 2.487 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1750682889 JVBTYFKSKFNRTG-NRTINQSCSA-N 430.578 2.335 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1760098940 XTNWUUGMHXXKKA-HZPDHXFCSA-N 435.525 2.051 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760121845 YIEWHGLYUNPKLF-DLBZAZTESA-N 432.569 2.361 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760181553 XJBKPJSMPIUUSS-MRXNPFEDSA-N 442.463 2.203 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182117 GPPXUSKKSGESFD-RTBURBONSA-N 445.589 2.458 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760186992 BTINBJYIUMMIOL-OPAMFIHVSA-N 441.557 2.214 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760190607 XVNPJVGEHDGJRQ-OTWHNJEPSA-N 443.573 2.090 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)CC1 1760267444 MCQFIXNKNMQBRE-UHFFFAOYSA-N 432.528 2.209 30 10 IEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760344220 FDIVKKYMCWTBJD-IAGOWNOFSA-N 430.505 2.289 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760431215 HYWRXWXAFCJLIW-UHFFFAOYSA-N 443.640 2.475 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1760510913 VMWYQGNWQHCJMO-FQEVSTJZSA-N 430.597 2.177 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2OC)CC1 1760521190 MBPLFKUTXLSFJX-UHFFFAOYSA-N 447.543 2.286 30 10 IEEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C2COC2)nn1 1764527488 AVAWWKSFNISIGA-INIZCTEOSA-N 436.520 2.226 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1771138464 UWDFAZLEYMJAQC-GOSISDBHSA-N 432.475 2.009 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)OCCO2 1771188716 PKJDLQXFNKDDMH-YCRPNKLZSA-N 431.468 2.264 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)ON2C(=O)c3ccccc3C2=O)CC12CCOCC2 1772792441 BOZRGZFFZSKUMX-JOCHJYFZSA-N 430.457 2.452 30 10 IEEE COc1cc(C=c2sc3n(c2=O)CCCN=3)ccc1OCCCOc1ccc(C#N)cc1 1852785714 BVLVQKFNLUNTAS-UHFFFAOYSA-N 449.532 2.490 30 10 IEEE Cc1nn(C)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)c1C#N 1852834743 ONUWOSQJXXUBFH-OAHLLOKOSA-N 425.873 2.185 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2cccc3ccccc23)C(=O)C12CCCC2 1854487909 OGXZKETUBSVYNF-UHFFFAOYSA-N 425.510 2.219 30 10 IEEE N#Cc1ccc(CCC(=O)O[C@@H]2CON(S(=O)(=O)Cc3cc(F)ccc3F)C2)cc1 1855442743 AJMUQWRKFZUKGE-SFHVURJKSA-N 436.436 2.458 30 10 IEEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 1857064212 SLLWGKLONRNJGV-AWEZNQCLSA-N 431.445 2.280 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCC(=O)c2ccccc2)cc1 1858964831 VWSIKYHFFBIOPD-UHFFFAOYSA-N 428.466 2.014 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862643852 WYQCCGSVMYZPAH-XTZNXHDOSA-N 446.387 2.407 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675521 MZNWOFRHALZPKY-HXUWFJFHSA-N 442.443 2.147 30 10 IEEE C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC)cc1OC 1872597670 ZBBJHSRROWVXRV-LJQANCHMSA-N 443.525 2.377 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891198417 QCWXXSGKVKHBGM-AEFFLSMTSA-N 439.541 2.427 30 10 IEEE C#CCOCCONC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009819238 IWQGLHYDQOBYQB-UHFFFAOYSA-N 431.533 2.244 30 10 IEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2232322206 ZFUKLLWHJOMFLN-UHFFFAOYSA-N 448.325 2.359 30 10 IEEE C#CCN(CC(=O)O)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237382651 CZHZPGRMZLIPPJ-HNNXBMFYSA-N 439.306 2.431 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247917582 DFRAGWAIAMKKAK-DABQJJPHSA-N 435.355 2.037 30 10 IEEE C=C(CS(=O)(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247961831 IUPLTOKQDQTRIP-UHFFFAOYSA-N 442.387 2.493 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2249674099 CBDLVHWTAXFISJ-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255594796 FHCQURZZYXADFM-UONOGXRCSA-N 434.346 2.227 30 10 IEEE Cn1nc(C(=O)NC[C@H]2CCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255648808 OIGXOILICVXYOZ-MRXNPFEDSA-N 444.772 2.377 30 10 IEEE CC(C)N(CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255649062 GXMHKSPTWTXMSQ-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H](C)N1C(=O)OC(C)(C)C 2255826274 NIXFEODUCLBKFA-KBPBESRZSA-N 434.346 2.179 30 10 IEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826627 CCJWAWVVKDFHIC-AWEZNQCLSA-N 436.362 2.426 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258958544 HXLIMDZPPGOLOQ-QFIPXVFZSA-N 436.358 2.280 30 10 IEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267135948 GZAFNFUXTCACBJ-GJZGRUSLSA-N 448.373 2.474 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2267178130 XUMRRUUVHZNIQA-SHTZXODSSA-N 448.373 2.143 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267182972 KMCMNYJLISKHOJ-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)OC1(C)C 2267518283 AVIAIHNAADZRRX-UUOWRZLLSA-N 436.365 2.303 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)[C@H]2C1 2267801182 AMIAHHRKYXUKOO-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)nc2)OC1(C)C 2269057901 OHLWRTXRJSISFV-GOSISDBHSA-N 440.305 2.171 30 10 IEEE N#Cc1ccc(N2CC[C@]3(CO)CN(C(=O)c4ncccn4)C[C@@H]3C2)cc1C(F)(F)F 2297649162 RHHPSYTVTOFEMS-MGPUTAFESA-N 431.418 2.328 30 10 IEEE COC(=O)[C@@H](CCNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2298378084 VJQNPEJLJMDHOS-HZSPNIEDSA-N 426.319 2.041 30 10 IEEE C#C[C@@H](C)N1CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2300091521 JWRUYLCFNSUGES-CTNGQTDRSA-N 428.577 2.178 30 10 IEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccccc2OC)cc1 2328369837 OYBCAUGFMDSXQW-UHFFFAOYSA-N 427.486 2.334 30 10 IEEE NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331051437 RPHGHFXWZRBWJF-UHFFFAOYSA-N 432.462 2.075 30 10 IEEE Cn1cc(C#C[C@H](NN)c2cc(I)ccc2Br)cn1 2340445620 LOROULDZMDXOSH-ZDUSSCGKSA-N 431.075 2.343 30 10 IEEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@H](O)c2cc(Br)c(Br)s2)CC1 2367819267 SCNMDCQQWCUKHN-PSASIEDQSA-N 443.182 2.214 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2ccc3ncc(Br)n3[nH]2)C1 2379805477 WCPYNIQDNQGURP-UHFFFAOYSA-N 434.294 2.159 30 10 IEEE COc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 22945626 XRBGPHXQDBJUGJ-GFCCVEGCSA-N 427.482 2.417 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)O)c2)cc1 32961664 CUQRSJWNJWKWTD-UHFFFAOYSA-N 444.513 2.230 30 10 IEEE C/C(=N/Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccccn1 59038614 PCOWTEALNJPJJU-FMCGGJTJSA-N 425.474 2.173 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 59893793 CDTJBGJSTXYYLV-OAQYLSRUSA-N 447.539 2.310 30 10 IEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)c(O)c1 170321702 FXSTWLCLZRDHBP-LJQANCHMSA-N 427.409 2.354 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1-c1ccccc1C 446132693 SRYYCLWCBROOOL-UHFFFAOYSA-N 445.544 2.330 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)cn1 461746970 PSYUAZIHEGSSKZ-UHFFFAOYSA-N 439.229 2.485 30 10 IEEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(=O)N1CCN(CC#N)CC1 465142161 WWCGNKDFCHPDNL-QGZVFWFLSA-N 436.965 2.067 30 10 IEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3cc(C#N)ccn3)cc2)C1 473759399 SYGHSGUOVPJWMX-GJZGRUSLSA-N 434.543 2.421 30 10 IEEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CC3)c2=O)cc1C 478854980 LLSUSTZTHSOGLU-KRWDZBQOSA-N 438.549 2.369 30 10 IEEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](COC)Cc1ccccc1 482507073 IALMXZDGRQLVSQ-PXNSSMCTSA-N 429.542 2.331 30 10 IEEE CN1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 497468531 GIPHGNUOZPIJAP-TZIWHRDSSA-N 433.480 2.313 30 10 IEEE C=CCOc1ccc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1OC 500952125 RVMXNPFTZIYYNQ-UHFFFAOYSA-N 428.510 2.477 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 508808520 HNKYDJPTLMNTLE-GOSISDBHSA-N 441.923 2.359 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 508816891 LKYMZKGYUSAOOC-UHFFFAOYSA-N 448.527 2.430 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)CC1 512717656 BGPOEUQGDDIWMF-UHFFFAOYSA-N 447.539 2.282 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2=Cc3cc(F)ccc3OC2)CC1 535586672 AWPJEMJQZGKXHW-UHFFFAOYSA-N 427.457 2.006 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCCO2)CC1 550062267 BHPWEOHTCTYGAZ-HXUWFJFHSA-N 430.597 2.004 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609185533 ZXYVKDIJJDBAKO-HNNXBMFYSA-N 431.489 2.434 30 10 IEEE COC(=O)C(C)(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 610824733 LEBRMBMGYDCBJN-HNAYVOBHSA-N 443.525 2.282 30 10 IEEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 685534148 VLFBFMPHQQGVPM-NRFANRHFSA-N 434.544 2.012 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1 731887418 BWLJHIPUTXSYPX-XTQSDGFTSA-N 431.452 2.170 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1OC 733319580 PPDKOXRSBSDSQV-HNNXBMFYSA-N 438.527 2.258 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)ccc1F 733946987 SFGRQDJGTBSQKZ-GOSISDBHSA-N 431.489 2.215 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 743196140 DPLGDCGYNNYQTK-UHFFFAOYSA-N 446.504 2.100 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)c1 748096347 VOHZVSJEKIPVHL-IBGZPJMESA-N 443.573 2.233 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 752292725 PZZGVBZBLXBGFA-MRXNPFEDSA-N 427.526 2.119 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCc3nn(CC)c(=O)cc3C2)cc1OC 752742990 HASJUDFHOOMRBP-UHFFFAOYSA-N 442.516 2.386 30 10 IEEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 755310608 NDQOWLNOEIFBOD-BBRMVZONSA-N 440.363 2.058 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 756211459 KMXRPAXGLKGIKY-KRWDZBQOSA-N 446.504 2.038 30 10 IEEE CCCC[C@@H](NC(=O)NCC)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 771257859 UAJUXPJQRSKYSK-KJCFGCQTSA-N 437.566 2.316 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3c(Cl)nc4ccccn34)C2=O)cc1 779954734 UPVCDVJEAFBFNT-OAHLLOKOSA-N 429.889 2.333 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)n1 789093396 VUOQDTNCJVLRBA-OAQYLSRUSA-N 426.517 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(c3ccc(C#N)cc3F)CC2)CC1 795891099 XRZCTINLFUPXIW-UHFFFAOYSA-N 445.539 2.289 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC(=O)N2C(C)(C)C)cn1 796419917 RYTRRLUFPWDJIH-SFHLNBCPSA-N 449.511 2.329 30 10 IEEE NS(=O)(=O)c1ccc(C=Nn2c(S)nnc2[C@H]2CCCCO2)cc1Br 807974642 NVEHUKBJQRDZAD-LLVKDONJSA-N 446.352 2.101 30 10 IEEE Cn1cncc1CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N 809942031 OKZGFPDMDOQCLM-KRWDZBQOSA-N 446.496 2.242 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2C[C@H]2CCCO2)CC1 812310471 YFMPBAXJCVAJKI-CTNGQTDRSA-N 435.528 2.099 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)n1 856673751 BZEOORFOKRPXSL-ZHRRBRCNSA-N 429.496 2.476 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cnn(-c2ccccc2)n1 919014022 MRQYAEWZFBQSBQ-XMMPIXPASA-N 443.463 2.476 30 10 IEEE N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCCCC1 920673551 OGQHWJKEXWSRQQ-CXUHLZMHSA-N 445.541 2.149 30 10 IEEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)n[nH]1 1084514597 CPUSPFQPOJPJFH-UHFFFAOYSA-N 428.478 2.061 30 10 IEEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 1128848440 GGHDROYRPPHGPB-HXUWFJFHSA-N 440.518 2.315 30 10 IEEE CCOC(=O)c1c(NC(=O)c2c(I)cnn2C)c(C#N)cn1CC 1130014351 YSXPQVOVZJJLIZ-UHFFFAOYSA-N 441.229 2.147 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCC1 1133491193 MSGGRLWUYJTFAB-UHFFFAOYSA-N 448.589 2.470 30 10 IEEE COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N[C@@H]2CCN(O)C2=O)cc1 1141377773 ALSMFNYICNKOIS-OAHLLOKOSA-N 448.273 2.430 30 10 IEEE Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1143518579 ITAFSRNKOQPHRP-UHFFFAOYSA-N 443.500 2.466 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 1150625866 HFAXFAOFKNBTPF-CXAGYDPISA-N 438.502 2.149 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)C1 1153865213 CZKJWKDOIVQBJW-VKJFTORMSA-N 430.480 2.444 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)nnc1-c1ccco1 1158084982 RMKHLJOZNZVNAB-HOCLYGCPSA-N 436.559 2.384 30 10 IEEE O=C(c1ccc(N2CCOCC2)c(F)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161802363 SXKKTZUFWMRCGO-UHFFFAOYSA-N 427.432 2.180 30 10 IEEE CC(C)C[C@H]1CN(C)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1176431189 ADQUJGHZEPLXJV-SFHVURJKSA-N 440.548 2.117 30 10 IEEE COC(=O)c1cc(C2CN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2)[nH]n1 1180256564 CTIYEHSLRHZXNV-UHFFFAOYSA-N 425.294 2.044 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1Br 1189587006 IAHBHJDTUSMNAW-ZDUSSCGKSA-N 446.342 2.193 30 10 IEEE COC[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@H]1CCCOC1 1197844915 PTLFMESUVOJRCO-UEXGIBASSA-N 444.576 2.387 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1286304624 IRBJMCBOFYVKFF-OIISXLGYSA-N 430.553 2.033 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286346761 BNKXCDIFYDVVLL-WOJBJXKFSA-N 437.592 2.313 30 10 IEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286351399 QJMLWRGOWNFXKW-UHFFFAOYSA-N 449.603 2.248 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCN(CC)CC1 1286367499 NWNRGXUCDGDLBZ-UHFFFAOYSA-N 426.565 2.059 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1286395229 RQYQIXGJXBDIAK-JXFKEZNVSA-N 436.603 2.073 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286403450 JPQOTFKPADXYJH-HXUWFJFHSA-N 441.333 2.119 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN1CCOCC1(C)C 1286415820 HBPMPGOYYQOGGP-UHFFFAOYSA-N 425.508 2.180 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(C)ccc2OC(F)F)CC1 1286480644 ONCXWESIDPRPNZ-KRWDZBQOSA-N 431.487 2.495 30 10 IEEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286613023 NKOJKNYZSWJTAU-QGZVFWFLSA-N 446.939 2.317 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2)CC1 1286652318 VKIORPIHICEZHX-HRAATJIYSA-N 433.578 2.198 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286775773 JYDXAEGLVXDXDY-OAHLLOKOSA-N 430.503 2.122 30 10 IEEE CC[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCNS(C)(=O)=O 1291697810 YUKHVVMNGOSFFI-QRQLOZEOSA-N 430.578 2.474 30 10 IEEE COC(=O)C[C@@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1293933193 PSQVDUGBRBSZQU-KXSVDRQTSA-N 437.562 2.280 30 10 IEEE CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1297707208 DOIBHIIPPNAZQN-UHFFFAOYSA-N 448.568 2.249 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@]3(C(=O)OC(C)(C)C)CCOC3)ccc2c1=O 1300414122 FVLSEUWKPNQHMV-OAQYLSRUSA-N 431.514 2.102 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300422419 MZLJTFPTMSZORA-LJQANCHMSA-N 445.589 2.345 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1([S@](C)=O)CC1 1300657269 JIIDFUDQAZBNCV-HKBQPEDESA-N 438.557 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOC)CC1 1300718497 QMHNHCIRHIBGFT-UHFFFAOYSA-N 446.349 2.320 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1300725504 HOGKLNNILYTZDB-FQEVSTJZSA-N 442.608 2.012 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1301258326 QDEDGNRVPVVEKZ-GOSISDBHSA-N 439.626 2.084 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCS(C)(=O)=O)C1 1301542577 PECXXFVSXHZSMB-QGZVFWFLSA-N 435.506 2.069 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1301952202 IAWBMMVRYXOHAY-HNNXBMFYSA-N 442.524 2.388 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1301967582 DZBHYKPAXZWCKB-MJGOQNOKSA-N 431.562 2.383 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@@H](C(F)(F)F)O1 1305153851 GBJXRJZBTOMYTC-COXVUDFISA-N 437.422 2.388 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N(C)CCc1cccc(C#N)c1 1308016858 QQSLJKZUUSZBIJ-INIZCTEOSA-N 444.557 2.319 30 10 IEEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC(c2ccc(C#N)cc2)CC1 1308113766 HVRFNTKLTDXOIH-UHFFFAOYSA-N 428.514 2.032 30 10 IEEE C#CC1(O)CCN(C(=O)Nc2ccc(OCCOCCOC)c(Br)c2)CC1 1311274072 MCDBNMXWBYDJEL-UHFFFAOYSA-N 441.322 2.483 30 10 IEEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1313750368 GNICSKZGXVWJNZ-UHFFFAOYSA-N 427.534 2.011 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1 1314540365 FZOIGSXONYGNJF-FQEVSTJZSA-N 433.582 2.085 30 10 IEEE CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316335102 AUZIROUPXLSNRA-DYESRHJHSA-N 447.536 2.260 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1358910258 JPKOICIFHPYXAW-GOSISDBHSA-N 447.543 2.100 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1358931683 JHZMEQIYSHJXFM-OAQYLSRUSA-N 449.603 2.200 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCC1(O)CCOCC1 1359025733 XMEPDAVYSIXLBK-UHFFFAOYSA-N 434.487 2.165 30 10 IEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359203667 SWXGZRGYAKWXMP-ROUUACIJSA-N 425.599 2.246 30 10 IEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359338689 DIUBTPCUNHWNBZ-UHFFFAOYSA-N 446.602 2.254 30 10 IEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1360793298 CTEZSUNRKUNXLE-JOCHJYFZSA-N 435.463 2.132 30 10 IEEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1440686487 SJAOMMDJOZMSCS-PWIZWCRZSA-N 448.539 2.398 30 10 IEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)/C=C/c1ccc(F)cc1 1442470081 OXDKHBAPCTZBKG-WEVVVXLNSA-N 425.460 2.443 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)C1=O 1453278338 HABVTEQOSZLNIT-UHFFFAOYSA-N 432.546 2.199 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)N(CC)OCC 1453510142 ZDEHYMQMDRSVOW-UHFFFAOYSA-N 428.283 2.014 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)s1 1464093349 GXMDZAYCUHRMGW-UHFFFAOYSA-N 441.918 2.378 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)CCc3ccc(C(N)=O)cc3)c(C#N)c2N)cc1 1465599873 LIXROOSWPUMGPF-UHFFFAOYSA-N 430.512 2.415 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1465942301 HJUQEDYEMKGNFW-SJLPKXTDSA-N 425.489 2.494 30 10 IEEE C#C[C@H](NC(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1470662227 CPKXHPSPBMKEFO-SJORKVTESA-N 443.363 2.359 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1494126632 CCADMHXQPRZDKP-DLBZAZTESA-N 435.536 2.085 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C(F)(F)F)O1 1494252837 LRJCYJQFSGZBQJ-OWDMVUQNSA-N 448.449 2.451 30 10 IEEE CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1499600884 IJLBICNIXWOQPB-RWNPKEDZSA-N 428.537 2.325 30 10 IEEE CCCNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1501164541 HHOWWFUWFXPHFW-UHFFFAOYSA-N 434.504 2.250 30 10 IEEE CCN1CCN(c2ccc(Cn3c([C@@H]4CCOC4)nnc3N(C)[C@H](C)CC#N)cn2)CC1 1502316882 UBAASKSVZXJUGX-UYAOXDASSA-N 438.580 2.106 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(=O)N(C)C 1504434777 FYJLALSFYQWLRX-NRFANRHFSA-N 430.484 2.176 30 10 IEEE CS[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1505174220 ZIDCTVNULAOUHS-RDJZCZTQSA-N 444.609 2.164 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1-n1cccn1 1507514709 SMTSQYHCQQXHNG-INIZCTEOSA-N 427.472 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC(C)CC1 1507528800 NWBAYSCMNJYSRW-SFHVURJKSA-N 443.621 2.428 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1507544742 BMYIIHILQHOAMH-GFCCVEGCSA-N 446.360 2.171 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCS(=O)(=O)C1 1507544859 DTNOFXHQKLJJFE-SJORKVTESA-N 432.546 2.148 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1507677726 HZTVCCGRKLPKFR-UHFFFAOYSA-N 443.573 2.432 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC(=O)NCc2ccccc2)CC1 1507733638 GSELSFBPVFSARQ-UHFFFAOYSA-N 436.560 2.074 30 10 IEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CC1COC(C)(C)OC1 1507843079 HHUIOLNWIVNSIF-UHFFFAOYSA-N 447.536 2.434 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1507852093 IRNVPLMIPMNTJC-AZUAARDMSA-N 445.589 2.356 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507856602 CMDHVUINRMVJTO-HOTGVXAUSA-N 446.943 2.131 30 10 IEEE C=CCn1c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nnc1[C@@]1(OCC)CCOC1 1508066547 BHHXPJKIFAVRQL-OAQYLSRUSA-N 428.493 2.351 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1508072850 STLXZUIUGSWZTO-QZTJIDSGSA-N 449.490 2.170 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1508090486 IMLCHCHPDNREBW-UHFFFAOYSA-N 429.544 2.420 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1508106180 RZJPERCBWPLAJA-UHFFFAOYSA-N 449.559 2.144 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccc(F)cc2)C1 1508132409 UCSXCPUVPQQYOV-XXBNENTESA-N 443.523 2.229 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)C[C@H]1CC 1508139629 HZNMBCYZKYAEKA-LSDHHAIUSA-N 435.550 2.231 30 10 IEEE COC[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1518706678 QDKMRKOASIPBLD-HKUYNNGSSA-N 425.537 2.395 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1519078884 YZGYXXDEZYDAKR-UHFFFAOYSA-N 448.531 2.190 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC2(O)CCCCCC2)cc1 1521109873 HXYLQLDKCYTXSN-UHFFFAOYSA-N 438.532 2.140 30 10 IEEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2=O)c1 1531355123 UBYHTLUNGVPEGR-IBGZPJMESA-N 443.467 2.350 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)C(=O)OC 1535347158 PKVCNZNHZWRSJZ-MRXNPFEDSA-N 435.525 2.396 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539207190 ZTSAKIZAHMJZSJ-QILLFSRXSA-N 429.502 2.136 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN(CC)CCC(F)(F)F)CC1 1539444241 KWVOKNLWCAPDCQ-UHFFFAOYSA-N 435.498 2.370 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1539513635 PYXCGGOJFCSCHA-UHFFFAOYSA-N 425.562 2.091 30 10 IEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539997951 XJSNYRQDMMGBIR-LJQANCHMSA-N 440.596 2.168 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1541117352 DSMFENFQSQPZRZ-DOTOQJQBSA-N 437.470 2.123 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCN(C)C 1541470761 ZIDSBFYEVDBWLQ-UHFFFAOYSA-N 443.571 2.392 30 10 IEEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cn1 1547617370 DNUUCKYBKLYHHZ-IBGZPJMESA-N 432.532 2.386 30 10 IEEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1)OC 1555248827 FRVLKLOYOVOCNT-HNNXBMFYSA-N 437.342 2.447 30 10 IEEE CCO[C@@H]1C[C@](CO)(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1(C)C 1556222617 ZVICBCJOVCBMTC-ZOVTWURMSA-N 435.565 2.456 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Sc3cccc(OC)c3)cn2)C1=O 1557334733 VIZOUZXRTXEDQM-UHFFFAOYSA-N 426.454 2.157 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1557720797 DVMYZGXHBHAASA-IUHNQTRMSA-N 446.429 2.167 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc1Br 1584794580 WUFNIHMFKOMFIE-LLVKDONJSA-N 428.230 2.274 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1587765430 GOJDDLHUIPWQCN-HXUWFJFHSA-N 443.573 2.417 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1587766523 WIMKBMGKAXXLCQ-LJQANCHMSA-N 429.546 2.109 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1594121770 DKOLYHJXGFTXGT-UHFFFAOYSA-N 443.573 2.150 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C)CCOCC1 1595283220 OJMCDIMMZPWEEL-UHFFFAOYSA-N 438.536 2.376 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1595569125 AEQMMLAPAGCMDR-FQEVSTJZSA-N 433.560 2.483 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)OCC 1596777507 DAOOMGWQDFIFHC-CYBMUJFWSA-N 425.825 2.473 30 10 IEEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c2ccccc21 1596984885 OYNMOGJJNJISKT-CJAUYULYSA-N 447.539 2.432 30 10 IEEE Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1612632288 IFXJMEKHPDWXTE-AWEZNQCLSA-N 443.533 2.050 30 10 IEEE CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1=O 1614882489 ADVLTOYBUCSMOF-UHFFFAOYSA-N 426.521 2.214 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H]([C@@H]2CCCO2)C1 1617304794 ALBZKCAZGDVGEB-RLLQIKCJSA-N 448.541 2.337 30 10 IEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 1618029952 NWOCYQHCHICYIE-KDURUIRLSA-N 447.601 2.143 30 10 IEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 1625988813 DEQQMPCIMSLGEU-CYBMUJFWSA-N 436.459 2.330 30 10 IEEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 1630762435 RKDAWMGNOTYBFT-KRWDZBQOSA-N 442.516 2.421 30 10 IEEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(COc2ccccc2C#N)o1 1633187468 LFQPCAGQVXCJSW-HSZRJFAPSA-N 425.485 2.076 30 10 IEEE C#CCn1cc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cn1 1634636306 NYOIYGPTFOESKJ-UHFFFAOYSA-N 425.533 2.159 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1641500279 ZSDINDXJYKRTRI-IBGZPJMESA-N 449.960 2.440 30 10 IEEE CC(C)(C)OC(=O)CC1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1644377824 WYNCCGRIQQDTJU-UHFFFAOYSA-N 435.546 2.276 30 10 IEEE C#CCOCCN(C)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1649055651 CQVQTJFKOLXJGH-OAQYLSRUSA-N 430.501 2.050 30 10 IEEE CCOC(=O)[C@H](CC=C(C)C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1650654418 ZYXVKSGAASZADU-ROUUACIJSA-N 426.473 2.167 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CCN(C)C)C(=O)C1 1662577052 HNSUZTLEIIPCME-UHFFFAOYSA-N 425.327 2.252 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3C[C@H](C(=O)OCc4ccccc4)C3)C2=O)cc1 1672358422 QMEFVPOJLQARBR-YPAWHYETSA-N 446.507 2.480 30 10 IEEE C#CCOc1ccc(CNC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1682742308 FRSRBAJKPDUYBQ-SJLPKXTDSA-N 430.448 2.350 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1)C1CCOCC1 1684036389 PDPQIYWITKBDRF-NRFANRHFSA-N 433.574 2.083 30 10 IEEE CC1(C)C[C@@](C)(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C(=O)O1 1684790084 MYECOXDNXXPARG-OAQYLSRUSA-N 428.468 2.181 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(OCC)c2)CC1 1690110714 XDUVQVBWIWGKEF-UHFFFAOYSA-N 438.576 2.399 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1690115066 QEBGODSXEPBNCG-IEBWSBKVSA-N 445.564 2.242 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1690673162 PYGCFRXQFDCRIO-QGZVFWFLSA-N 443.523 2.085 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1690678450 WLBPMFJGJHTYCP-HOTGVXAUSA-N 431.541 2.248 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1690682467 PDCRUKPRFYWKPO-CQSZACIVSA-N 441.504 2.347 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCOC2)CC1 1691220461 LDALTELBDAFFIA-AEFFLSMTSA-N 446.552 2.158 30 10 IEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1698284578 DZYHQGRLNYZAIS-UGKGYDQZSA-N 442.589 2.391 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1705495103 KNJIROICHLFIGL-NQIIRXRSSA-N 441.601 2.282 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OC)c2OC)C1 1705916095 YVKUJDJCLWPZJW-QGZVFWFLSA-N 429.521 2.263 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOCC2(C)C)C1 1705929714 WJSYSUHNFZBKTM-HXUWFJFHSA-N 443.596 2.032 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1711397571 UVANEGRMTZPFGC-UHFFFAOYSA-N 444.421 2.188 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C(F)(F)F)cs1 1712565148 BQNMQBCAVJPTEM-VXGBXAGGSA-N 446.455 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](OC)C(C)(C)C 1712648213 GCCNHUHALGPDDD-LEAZDLGRSA-N 446.596 2.240 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722313033 OGXMWQLJKSTAMK-SFHVURJKSA-N 436.516 2.230 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722370259 BBPZNZURMGTMEC-IBGZPJMESA-N 445.589 2.485 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1nnc2n1CCCCC2 1722388102 VAGVKKFMTLTSON-UHFFFAOYSA-N 436.564 2.026 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)C1CCCCC1 1722418974 JUCKXQDOZYTHEZ-QHCPKHFHSA-N 440.548 2.343 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722445210 MOAQTWGXKSCLRK-FQEVSTJZSA-N 448.571 2.169 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1722451190 GODCEIOYAWTZOI-LBPRGKRZSA-N 439.529 2.033 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722452342 PBWHPOYUNLZDJD-LBPRGKRZSA-N 437.367 2.069 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1722459521 LXAKNMKXMBGSRP-KRWDZBQOSA-N 434.587 2.192 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCOCC2)C1 1722479033 FBIBIYAIESYGEH-OAHLLOKOSA-N 445.358 2.297 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722493611 JBZXLLPQGGKOGK-UBDQQSCGSA-N 447.536 2.292 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722545768 BGPFHXOBOCEZSP-GFCCVEGCSA-N 448.774 2.422 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722614581 AQFHBDGZTLNXOT-FQEVSTJZSA-N 429.613 2.190 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1724058192 XPXGYQBURFCVIM-KKSFZXQISA-N 430.484 2.336 30 10 IEEE Cc1cccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1724473868 OKJYXEDIYFUYMZ-LZICOFPGSA-N 439.545 2.117 30 10 IEEE Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1726355325 GJJLGZCPXXQTNI-UXHICEINSA-N 428.562 2.299 30 10 IEEE CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1727989991 FUUUAPREJLWFNR-NQDNANIMSA-N 444.536 2.051 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1729637248 GWAFBCCCFNIBGZ-JXFKEZNVSA-N 430.459 2.203 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1730837667 LWJUCSZKNAFBAR-MRXNPFEDSA-N 441.598 2.345 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C1CCCCC1)N(C)C 1730955900 NSGUXALBRUSPBG-BURNTYAHSA-N 446.596 2.241 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1731095275 PTVQZPOZBOWIFY-STGLLQLASA-N 427.534 2.131 30 10 IEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740576582 AHQFRQYTDKYOTR-NRFANRHFSA-N 434.544 2.426 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1 1740655933 GMSBQYYCRZGFJE-RBUKOAKNSA-N 426.542 2.111 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(SCC)c2)CC1 1740689284 UNUXFUIENGOKFK-UHFFFAOYSA-N 438.601 2.430 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740701584 MJSOTSACLUZKSM-WAIKUNEKSA-N 425.533 2.363 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C/C=C\CC)CC1 1740708553 TVZKSSKQEZLISB-WAYWQWQTSA-N 440.573 2.202 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740762649 VHRBIWVTIYKKBD-NQIIRXRSSA-N 432.613 2.058 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC3CC3)nc2)CC1 1740818481 KXJKELZNIWWRRY-MRXNPFEDSA-N 446.577 2.277 30 10 IEEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1)C1CC1 1740908460 YWLCAVOKBHVJRI-UHFFFAOYSA-N 426.477 2.290 30 10 IEEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1)C1CC1 1740911451 SREAIFAUPAKFNA-SFHVURJKSA-N 426.496 2.262 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740970031 YTUUYWRLDQDSOZ-RTBURBONSA-N 446.573 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCn1cncn1 1748650066 XCEIEDFYAIVTQP-ZDUSSCGKSA-N 430.310 2.466 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCOc2ccccc2)CC1 1748757899 OOQLGNGTUAVRNU-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1748808187 AVRMOIWIPSBLAB-IBGZPJMESA-N 430.574 2.433 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC1)C1CC1 1749510654 NNZQZIIOQARMIX-UHFFFAOYSA-N 444.605 2.446 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1749574275 PYGRWBRUXDRNSP-OAHLLOKOSA-N 433.534 2.009 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 1749657775 FOVUALDKRITGKZ-IBGZPJMESA-N 437.331 2.256 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1749708205 ZHVARKWEQDFMEO-CTNGQTDRSA-N 425.581 2.147 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1749711762 CBULGRPWLABQPD-PSBWJHGTSA-N 438.594 2.165 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(C)=O)c2)C1 1749717628 NNVCSTYKPKBSQJ-HXUWFJFHSA-N 438.532 2.189 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCCS(C)(=O)=O 1760241909 OASXCOLLTWQQLL-SFHVURJKSA-N 434.537 2.386 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760281877 RHMWQISCAQVWPT-NJDAHSKKSA-N 446.665 2.143 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC1 1760381147 ACFCYEXQJPUWMY-UHFFFAOYSA-N 431.500 2.490 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCOC1 1760451094 ZJRNKXMVJOFJIA-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1760511373 ZXPVKTOBMHIRKA-PZJWPPBQSA-N 437.592 2.267 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760525109 UKJSWLHLTFDZRT-JKSUJKDBSA-N 430.503 2.122 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSCC1 1760558685 XEIXKTJWIDXGNI-HZPDHXFCSA-N 428.624 2.351 30 10 IEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1760561560 FDEGSDNNQJHPBZ-UHFFFAOYSA-N 446.577 2.343 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760713075 IUBYHVLDACPPND-DLBZAZTESA-N 438.488 2.093 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCS1 1765235421 HXQXBZGRHOCZSU-SFHVURJKSA-N 440.573 2.431 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1765351982 DTSYRCHMEIVRME-UHFFFAOYSA-N 447.547 2.360 30 10 IEEE CN(C)CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1766927490 HVHHBXCCYDFOOS-OAQYLSRUSA-N 433.516 2.058 30 10 IEEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1767269047 NPKHZCKRJWUEHE-CZIZESTLSA-N 441.442 2.435 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1769593574 ABPYUJQWERLHJD-QXAKKESOSA-N 431.562 2.034 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C)(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1771179859 BNOSEWVPTUPFNK-IGGDJGDASA-N 446.552 2.155 30 10 IEEE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNS(=O)(=O)c2ccccc2)CCC3)CC1 1772748919 YTDFGRKGKCHHMZ-UHFFFAOYSA-N 444.557 2.385 30 10 IEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1c1ccc(C#N)cc1 1849734977 JBLTYOYOFFBPAR-WOJBJXKFSA-N 429.542 2.317 30 10 IEEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1850495272 OJHSEMLZVFUKRE-HXUWFJFHSA-N 432.590 2.195 30 10 IEEE C=CCn1c(COC(=O)CCn2c(O)nc3cc4c(cc3c2=O)OCO4)nc2ccccc21 1850705342 NUZCJAYUGSGCKX-UHFFFAOYSA-N 448.435 2.500 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)Nc4onc(C)c4C#N)CC3)CC2=O)cc1 1853239402 KBIRNRJKOUSNAZ-IBGZPJMESA-N 449.511 2.389 30 10 IEEE C=CCN1CCN(Cc2c(Cl)n[nH]c2C(=O)N2CCCC[C@H]2c2nc(C)no2)CC1 1853407086 IDEKFOBABRYCSS-INIZCTEOSA-N 433.944 2.426 30 10 IEEE Cc1ccc(C2=NOC3(CCN(C(=O)CCON=C(N)c4ccc(F)cc4)CC3)N2)cc1 1853570322 CBONNNXZQIWYRN-UHFFFAOYSA-N 439.491 2.461 30 10 IEEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3ccc(F)cc3Cl)C2)C1 1856391016 OFYRVTYNUZYFFV-CYBMUJFWSA-N 428.851 2.498 30 10 IEEE N#Cc1cccc(NC(=O)[C@H]2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 1858393061 DFOWHLNSMBRRGQ-KRWDZBQOSA-N 430.464 2.422 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(=O)O)cc1 1862758125 XCOCJVJAFAOKCT-GOSISDBHSA-N 439.424 2.433 30 10 IEEE N#Cc1ccc(COc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2)cc1 1872722080 MZKDLJNSYJZBTM-UHFFFAOYSA-N 435.509 2.438 30 10 IEEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCC(C(N)=O)CC2)nc1-c1ccccc1 1872801004 YSHFCLQEOHKVTE-INIZCTEOSA-N 440.525 2.360 30 10 IEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873561596 RMVRSWXWZRJZLQ-CALCHBBNSA-N 426.565 2.397 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc(O)c1 1874277309 PDVSLTYWNWQMPA-YVJZOELXSA-N 431.518 2.245 30 10 IEEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cnn1-c1ccccc1 1889499407 SYYIBRMOGSQBAW-UHFFFAOYSA-N 435.572 2.053 30 10 IEEE C=C(Br)CS(=O)(=O)N=[S@@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 1982282328 WUKVPDARRBPADP-KPWVOAKYSA-N 431.374 2.237 30 10 IEEE C=CCN(CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)C(=O)OC(C)(C)C 1985011304 MFHBYWLGSCKHSG-HOTGVXAUSA-N 427.542 2.144 30 10 IEEE C#CCOCCOCCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2015733196 VZJLHTQQANNXKQ-AZUAARDMSA-N 434.533 2.268 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2085663716 MAEATGXTJQCYDV-UHFFFAOYSA-N 432.330 2.465 30 10 IEEE C#CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(Br)c1=O 2106011837 CPGPIJUAFIFDIK-RYUDHWBXSA-N 429.290 2.398 30 10 IEEE CN1C[C@@H](C(=O)Nc2cc(Br)ccc2C#N)N(C(=O)OC(C)(C)C)CC1=O 2181149097 ZVGACVUHSUEENW-AWEZNQCLSA-N 437.294 2.337 30 10 IEEE N#C[C@](N)(COCCOCCOCCOCc1ccccc1)C1(Br)CC1 2227775220 JAAPYIBCXQTGFV-IBGZPJMESA-N 427.339 2.402 30 10 IEEE C=C(CS(=O)(=O)NC[C@@H](CCOC)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247906544 ZVZWVFIGEFGIQJ-OAHLLOKOSA-N 448.391 2.023 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256661854 WLHHKZLFLABUDV-PBHICJAKSA-N 432.326 2.464 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267494692 VDJLDBGAFJUHRX-MJGOQNOKSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550825 FDXZGYBROCGDMN-INIZCTEOSA-N 446.357 2.295 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267727556 WZILVTJAFNRLMO-RPVQJOFSSA-N 444.337 2.429 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267871462 AVXZGKTWXJPKPT-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268634136 GMBHPCWTLJHRBI-RKVPGOIHSA-N 448.369 2.437 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268701509 QMRBUQCHXGBQNY-JOCHJYFZSA-N 447.341 2.345 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2272652025 LUNXVMARJLZSGU-IQMFZBJNSA-N 445.369 2.311 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@](O)([C@@H](N)C#Cc2cccc(Br)c2)C1 2278735883 UEVPBFFXPXHJQQ-QFBILLFUSA-N 425.323 2.126 30 10 IEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2327379466 DIKNAHMVIQIIBT-UHFFFAOYSA-N 448.354 2.469 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]2C[C@@H]21 2331230540 SBBBRXGVRJXTGF-OXDBHQQFSA-N 444.341 2.408 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c1O 21319124 LTMSWOVHUFPPLR-ZVBGSRNCSA-N 431.453 2.022 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(F)cc3C)n[nH]2)cn1 59887044 ZYCDAOPNINOPMO-DNTJNYDQSA-N 432.485 2.272 30 10 IEEE COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C#N)cc5)c(=O)n4ccn3n2)cc1 96322594 PMSVDGAFXMMPJL-UHFFFAOYSA-N 439.435 2.330 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208072129 VPFMMCOXIYXCSY-HNNXBMFYSA-N 434.346 2.288 30 10 IEEE C=CCN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1nc(C(=O)OCC)cs1 427686587 FTQSPBINTQDDOU-HNNXBMFYSA-N 427.482 2.358 30 10 IEEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1C#N 441967261 FUORXCLCWUWEKL-UHFFFAOYSA-N 433.917 2.432 30 10 IEEE CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 443335333 OFXIZUJMSZFIGK-GTPINHCMSA-N 434.562 2.289 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ncnc3sc(C)cc23)CC1 444221887 ZZHRPHQHRURCQJ-UHFFFAOYSA-N 429.527 2.391 30 10 IEEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 463528266 OXWIYSZNFBSZRY-UHFFFAOYSA-N 425.463 2.047 30 10 IEEE CCOC(=O)C1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 471174819 DCECRBWOXHNQPM-UHFFFAOYSA-N 442.491 2.433 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2cccc(N3CCOCC3)n2)c(C(F)(F)F)c1 478894196 FDSCZHBDJKXDKQ-UHFFFAOYSA-N 426.420 2.287 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)cc1C#N 489264350 LTXLXHIJTDSRKA-CQSZACIVSA-N 444.542 2.441 30 10 IEEE CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 502470351 WJZQVXMSMKEJDK-SFHVURJKSA-N 444.538 2.010 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN(c4ccccc4)C3=O)C2=O)cc1 510129596 BCSPZISLVGXTCR-VQTJNVASSA-N 445.479 2.075 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 518529155 MZTQVVJDTHOBIX-FQEVSTJZSA-N 434.500 2.103 30 10 IEEE Cc1cc(C)c(C#N)c(SC2=C(N(C)CCO)C(=O)N(c3ccc4c[nH]nc4c3)C2=O)n1 526694027 AWHKXCPKSFFLGE-UHFFFAOYSA-N 448.508 2.248 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)Cc3cc(=O)c(OCCC)c[nH]3)cc21 526901412 XXIXOUUPEMVMDD-HKBQPEDESA-N 444.509 2.207 30 10 IEEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)c1 532755984 VMGKJSVAINHJKE-HNNXBMFYSA-N 426.513 2.266 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)Nc3cc(C(=O)O)ccc32)c(C(F)(F)F)c1 548568895 AHQKCDDCCSJNEH-UHFFFAOYSA-N 425.344 2.423 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 552715439 OWMGDZWSDMODNK-KUHUBIRLSA-N 441.575 2.137 30 10 IEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 555178059 UHGJLVMVEHNAGU-UHFFFAOYSA-N 429.528 2.123 30 10 IEEE Cc1csc([C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 561206348 QGZYQOJHKSIPOK-HNNXBMFYSA-N 434.525 2.397 30 10 IEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 575756334 HEWRCAWDYDKDSM-YJBOKZPZSA-N 437.541 2.490 30 10 IEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C 590943550 MYXYKOUFORAHQY-GOSISDBHSA-N 447.560 2.170 30 10 IEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609579310 POYIDKJBPKGRAV-UHFFFAOYSA-N 436.431 2.195 30 10 IEEE COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 619569753 GPECYMLJKWRNGO-KRWDZBQOSA-N 425.876 2.069 30 10 IEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2ccccc2S(N)(=O)=O)CC1 682370277 XAPRSEZWJOHDFP-KRWDZBQOSA-N 448.614 2.121 30 10 IEEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C#CCCO)c1 703981886 UUJCDIMYGHSEHI-UHFFFAOYSA-N 426.494 2.157 30 10 IEEE CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccoc3)c2=O)cc1 727416962 AXLGZXUEKDXPFR-UHFFFAOYSA-N 449.532 2.405 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccsc2)cn1 730143390 BDLUJVDOVAFVNQ-KRWDZBQOSA-N 448.618 2.207 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)CC(=O)N2C)cc1 734920405 KEOFQBJSKJLZKV-NQIIRXRSSA-N 427.501 2.443 30 10 IEEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](c2ccccc2)O1 742584536 WVDCHEGOZVJJLF-JTDSTZFVSA-N 427.526 2.492 30 10 IEEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(C#N)cn3C)cc2F)C[C@H](C)O1 751730394 VXZSGWBUTAQEAM-GJZGRUSLSA-N 428.464 2.123 30 10 IEEE CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 760781628 WFFZEVNUTUDJNM-UHFFFAOYSA-N 435.509 2.440 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN3C(=O)OCC[C@@H]3C2)cc1 764427333 YVMSUSJUEGPJFU-GOSISDBHSA-N 437.500 2.439 30 10 IEEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O)c1cccs1 774297469 NBGJAEDIAYXOLS-QXFMUUIESA-N 440.635 2.338 30 10 IEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2c(cc1Br)NC(=O)CO2 782403007 TXXYHXAYANVWLO-YPMLDQLKSA-N 438.278 2.380 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1ccc(F)cc1F 783944877 POWGCUCDRQCRKC-UHFFFAOYSA-N 437.456 2.451 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCC2CCS(=O)(=O)CC2)C1=O 790760481 XQGDWIPXYJLIGY-AWEZNQCLSA-N 429.589 2.031 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 794591545 BBDBKXIREZHRKP-UHFFFAOYSA-N 431.427 2.390 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1C#N 804119863 LNTISYAJJSFRKI-KRWDZBQOSA-N 442.903 2.240 30 10 IEEE O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H]2C[C@@H]2C(F)F)C1=O)Nc1cnccn1 807937020 VXGAVLZKGQXHDX-NSLBXMGNSA-N 446.483 2.397 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 812179192 KIYJDTTVXUMSMD-CVEARBPZSA-N 435.525 2.162 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)cc2)c1=O 838175606 NGIHFROYCUCCFH-UHFFFAOYSA-N 434.517 2.259 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)n1 1128569826 FOLFGGRIWBQHKM-UHFFFAOYSA-N 433.534 2.286 30 10 IEEE C#CCOc1ccc(CNC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)cc1 1129127236 XLAOSPHAYXXUQY-UHFFFAOYSA-N 428.448 2.158 30 10 IEEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCn2c(nnc2C(F)F)C1 1139612772 WVAFXFQXCUZIIK-UHFFFAOYSA-N 430.284 2.017 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H](c2cncn2C)N(C)C)c1 1141878039 KSRGCDVAGMISOP-QUOHCSHWSA-N 446.577 2.255 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](O)C(F)(F)C2)cc1[N+](=O)[O-] 1146516899 JOXWRUVGZHKXPC-INIZCTEOSA-N 435.387 2.223 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(C)C)s1 1180543127 KJMCEZPFOFBDLT-FUHWJXTLSA-N 425.620 2.476 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(Cc3ccccc3)[C@@H](CO)C3CCC3)CC2)o1 1195498873 RJDLIYWIFUMGHA-QFIPXVFZSA-N 437.544 2.167 30 10 IEEE C#C[C@H](NS(=O)(=O)Cc1cc(C(=O)OCC)no1)c1ccc(Br)cc1 1211981678 KUONVNOPAFPUTE-AWEZNQCLSA-N 427.276 2.408 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncccc1N(C)C 1286358608 JHYOWMRHCYQYMM-UHFFFAOYSA-N 437.935 2.440 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1286408966 MEPVZFRXGOOXLA-UHFFFAOYSA-N 443.555 2.232 30 10 IEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCOC1 1286438343 XYKBGGYQDXCCPV-KRWDZBQOSA-N 430.578 2.433 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286504891 RWOZQSGZNCWCMU-QZTJIDSGSA-N 427.578 2.250 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 1286506906 PNCGOFWROXUPCQ-FQEVSTJZSA-N 433.622 2.435 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1286521964 FTFZQTRXKSCSRF-IIBYNOLFSA-N 432.521 2.390 30 10 IEEE C=CCn1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286777719 KEQAWUMEFXNDMS-HYFFOGBASA-N 433.553 2.419 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1286833797 OYNMAYMLHASOAZ-KRWDZBQOSA-N 428.562 2.011 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CCO1 1288351954 BTXDFFBBQHBLMC-QPHCHLROSA-N 443.573 2.358 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)C1 1288974020 AFOTYGMRKUEIHU-PGRDOPGGSA-N 430.553 2.230 30 10 IEEE Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C2)n1 1290582337 UJSCXGYNLDESHA-FQEVSTJZSA-N 447.547 2.345 30 10 IEEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1294339336 YLWDDEMENXTCJB-HXUWFJFHSA-N 447.547 2.241 30 10 IEEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1295135302 RYRBWLZQMKUYTH-CZIZESTLSA-N 443.552 2.102 30 10 IEEE CCn1cc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)cn1 1295917672 QTZZCFFTBXQRBM-LPHOPBHVSA-N 425.493 2.368 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCOC)C2)CC1 1296179733 HRAOYUNOSWTGHJ-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1300475345 HBJNVCBRDNUEFW-UHFFFAOYSA-N 445.495 2.359 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1300487277 IRPOQPBUYQGTHF-GDBMZVCRSA-N 444.586 2.469 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)CC1CC1 1300511242 HFCMPWAKMWRWIV-UHFFFAOYSA-N 448.552 2.233 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1300521332 VSESXRFGQWPDKN-FQEVSTJZSA-N 430.512 2.427 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1300658156 BZTINDXJZLWWHF-APWZRJJASA-N 427.505 2.410 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(F)c(F)c2)CC1 1300681856 DFEXIGOXKQDADT-UHFFFAOYSA-N 444.530 2.473 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)cc2OC)CC1 1300696339 YPLXBHGWHOCXJH-UHFFFAOYSA-N 432.528 2.469 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1300711600 DQZUEHXVEDAZOW-AQNXPRMDSA-N 444.624 2.257 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1CCOCC1 1300890651 VXDOCTHEHKNJQT-DENIHFKCSA-N 426.565 2.014 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1301651108 GVWTWTZRJFIKEZ-ICSRJNTNSA-N 449.559 2.036 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1 1302373216 CTOSVEJMNQZJLO-JOCHJYFZSA-N 429.517 2.442 30 10 IEEE CCCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1306681068 IABIVTQZFPJWLE-UHFFFAOYSA-N 427.601 2.374 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)CCCc3ccccc3)CC2)c1 1307452471 ZYAXVRPKJPOWJW-UHFFFAOYSA-N 432.524 2.483 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2 1308131925 NMPFHGONEMEVEK-INIZCTEOSA-N 426.571 2.031 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nncn2CC)cc1OC 1314176331 IEWXXPJNJQJPLN-OAQYLSRUSA-N 440.483 2.454 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1 1316102512 XJVHNLPZCZMZTC-AWEZNQCLSA-N 439.442 2.200 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1359009282 LYSZUJSETBCHDK-MOPGFXCFSA-N 445.589 2.460 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCCCO)CC1 1359028202 KKIZSSVTLULJTO-UHFFFAOYSA-N 438.576 2.455 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(C(=O)NCC)CCC2)CC1 1359040974 KYESHONJAICNHG-QGZVFWFLSA-N 428.581 2.064 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(OCCN2CCCC2)CC1 1359053950 FOHTYRDEHZYRRB-UHFFFAOYSA-N 443.621 2.126 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1359069481 MZGODSDALZUSDV-HYBUGGRVSA-N 436.560 2.210 30 10 IEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359222144 ZNBNBMCAGWIFTG-ZCNNSNEGSA-N 430.553 2.379 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1359230147 HTULOLYBJNPPJU-UHFFFAOYSA-N 449.515 2.063 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1360612943 CKUVMWDIECSYFB-BEFAXECRSA-N 430.578 2.026 30 10 IEEE CC(C)[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1437146022 HUCQITLTZDAZQE-MSOLQXFVSA-N 442.516 2.493 30 10 IEEE C#CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)CC1 1444337766 KXCFGVFNDNNCBB-UHFFFAOYSA-N 427.242 2.289 30 10 IEEE Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1465872383 LWCSIWFFCBIASW-UHFFFAOYSA-N 444.488 2.133 30 10 IEEE C#CC[C@@H](NC(=O)c1cc(Br)ccc1I)C(=O)OC 1468875215 JIHLDVUWTOYUHX-LLVKDONJSA-N 436.043 2.348 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1471145620 VHDYRPVBCBEIOL-SFTDATJTSA-N 439.560 2.362 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3CCCCCCO)CC2)c1C#N 1492728084 SDGMCTLNDJFBGO-UHFFFAOYSA-N 449.563 2.133 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1499942472 BGNMTEDUYOPRIB-QHCPKHFHSA-N 432.532 2.484 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507630006 XZPJBPQUAYHZSB-GOSISDBHSA-N 425.514 2.111 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(Cc2ccccc2)c1 1507641266 BMVHSQUMFOSRJN-RUZDIDTESA-N 444.539 2.296 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1507661445 WAKPMZGETNTUNN-VWLOTQADSA-N 449.555 2.191 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)CCOC 1507661880 LWRSCNYUZOUOFV-IBGZPJMESA-N 434.338 2.286 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)c2ncc(C)s2)CC1 1507727031 NCTKNKFWGFNXLF-INIZCTEOSA-N 438.605 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1507736247 MXACWIIFAYJIMI-WWEVIYMKSA-N 443.592 2.486 30 10 IEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)C2(OC)CCOCC2)CC1 1507886985 KDXHWTUHXNMKFP-UHFFFAOYSA-N 439.507 2.388 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507921467 VPWFFPVNGVVFFT-RTBURBONSA-N 430.597 2.475 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1508076372 ZPGNAMDVMXFJHQ-CVEARBPZSA-N 449.353 2.486 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1508148560 JDDDNBLMZBHLNU-OAQYLSRUSA-N 434.562 2.167 30 10 IEEE CCn1cnnc1Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1515799517 VDOQCNSNDSRKGU-RTWAWAEBSA-N 428.541 2.108 30 10 IEEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](F)COC)c2ccccc2c1=O 1515949665 RWQWTTWBWXASIT-SZNDQCEHSA-N 443.458 2.101 30 10 IEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C#N)o2)C1 1517682942 SSMWBVUDRSZGRS-HNNXBMFYSA-N 437.456 2.378 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1519102624 PVEFAYVEIFVXII-UGKGYDQZSA-N 427.505 2.149 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2sccc2-n2ccnn2)cc1 1534145830 AKZQEYWIOPXJOO-PGMHBOJBSA-N 430.515 2.394 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)no2)CC1 1539141127 DDCNCGYUVZRGIR-ICSRJNTNSA-N 428.537 2.034 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539206883 WLYYOAZDHJBHAA-JOCHJYFZSA-N 441.601 2.247 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1539427350 BRZMCBIGFVWCKF-CVDCTZTESA-N 430.597 2.299 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CCOC)c2)CC1 1539832732 XUPRZUKUCKSKOJ-JOCHJYFZSA-N 430.553 2.366 30 10 IEEE C=CCCCCn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1539968572 XBZDXYWGIZYPCT-UHFFFAOYSA-N 426.569 2.150 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1N(C)C 1540063768 AZURQBLCONPRIP-UHFFFAOYSA-N 440.577 2.370 30 10 IEEE Cc1ccccc1OCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1542784929 KFAZJFLPUCEZRS-WMZHIEFXSA-N 441.532 2.435 30 10 IEEE CCNC(=O)c1ccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)cc1 1547758152 GWGUMIDQNXQRHY-ZHRRBRCNSA-N 444.511 2.242 30 10 IEEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1CCOCC1 1548375569 QSRYYVVWBYJALL-GOSISDBHSA-N 438.450 2.109 30 10 IEEE CCOC(COCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)OCC 1556178566 WXACJMLNLJREQV-PSCUFVCCSA-N 439.553 2.305 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Oc3ncccc3F)C2)s1 1556486939 DIWPPLQQBKLAQY-AWEZNQCLSA-N 439.534 2.359 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1561675685 RWTNRLSWOCRCHL-BBRMVZONSA-N 436.983 2.240 30 10 IEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 1561945550 CRELHWXRKKNPGD-KRWDZBQOSA-N 425.388 2.085 30 10 IEEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564690533 TXBAPVPMXJSXJR-QFBILLFUSA-N 426.439 2.442 30 10 IEEE N#Cc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F 1583876207 DDDKXIJMKSDXFU-IBGZPJMESA-N 446.460 2.465 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1 1587403189 GIVULULDBGQHCG-BDJLRTHQSA-N 427.404 2.459 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCC1 1587990242 UJWZKLHYLAPZKT-QGZVFWFLSA-N 433.553 2.473 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588049894 MYFGSDXFTLDCAH-KRWDZBQOSA-N 428.562 2.188 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCC(OC)CC2)CC1 1588751819 NLMCBDMSCRVZHZ-VUNKPPBISA-N 445.608 2.279 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2csc(COC)n2)CC1 1588892217 ZPBYYOQUNDEGNV-OAHLLOKOSA-N 430.578 2.409 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C)C1=O 1595120103 MQABDUPAWOJUTE-QFIPXVFZSA-N 428.512 2.226 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1595784523 HYODACKUYPACIO-LJQANCHMSA-N 431.562 2.194 30 10 IEEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)C2=O 1596977127 DSEIQBIGSHQUSK-JFIYKMOQSA-N 438.532 2.103 30 10 IEEE CC(C)COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1607723238 UHVVLOOZRDVSHA-FQEVSTJZSA-N 437.548 2.435 30 10 IEEE N#Cc1ccnc(SCCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1 1613474988 IDWMBTBYEKPYCB-UHFFFAOYSA-N 446.554 2.330 30 10 IEEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1614193741 FGCNIDORIIZFHI-KRWDZBQOSA-N 446.577 2.293 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)OC)C[C@H]3[C@H]3CCCO3)cc2C1=O 1617305870 IERGGOBIVOPKRN-ZYSHUDEJSA-N 426.469 2.041 30 10 IEEE C#CCC1(NCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)CCOCC1 1620593222 JOSSKGMWXVRLCN-UHFFFAOYSA-N 435.546 2.036 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2(NC(=O)OCc3ccccc3)CC2)[C@H](C#N)C1 1624820244 XKLVKLPSGXRAQF-IAGOWNOFSA-N 428.489 2.321 30 10 IEEE O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)N[C@H]1CCN(O)C1=O 1624906473 KXEJDBSPICYNQW-KRWDZBQOSA-N 439.497 2.045 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1628162374 VDSXNEPOSIYAMQ-HOTGVXAUSA-N 434.541 2.064 30 10 IEEE O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 1628386099 NQYQCFSKSRJQRI-OCOZRVBESA-N 446.507 2.315 30 10 IEEE COC(=O)CCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C1CCOCC1 1630067172 PSSKAAATZAJRGK-UHFFFAOYSA-N 431.338 2.479 30 10 IEEE CSC[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1630762317 PCVFWOIDVPKSPT-GBESFXJTSA-N 426.542 2.088 30 10 IEEE CN(CCc1cccc(C#N)c1)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1633762893 KRVOYOHDKKXLKF-GOTSBHOMSA-N 431.540 2.341 30 10 IEEE C=C(C)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(=O)OCC 1636838409 ZEJVMQRKAWNRIX-MRXNPFEDSA-N 428.576 2.479 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)n1 1637098008 ZMRJRNWQVJUHRW-FGZHOGPDSA-N 437.544 2.416 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccccc1)C1(CO)CC=CC1 1640589513 OTELMNPAYAJSBG-OAQYLSRUSA-N 439.537 2.301 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2=NCC(=O)N2C)ccc1Cl 1641523631 UAEQAXYZDZPKIL-UHFFFAOYSA-N 446.916 2.279 30 10 IEEE COC[C@@]1(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CN(C(=O)OC(C)(C)C)CCO1 1641927214 TYMMECYPLUOQLA-HSZRJFAPSA-N 444.532 2.312 30 10 IEEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccsc2C#N)CC1 1643810760 CETNYNRFVXOWKO-CQSZACIVSA-N 441.513 2.250 30 10 IEEE O=C(CCCn1c(O)nnc1O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645939066 ZGMGIJZWMKCESK-RNFRBKRXSA-N 438.275 2.099 30 10 IEEE N#Cc1cn(C2CN(c3ccnc(-c4ccc(Br)cc4)n3)C2)c(=O)nc1O 1652049263 JHKOZQSVSYYUIW-UHFFFAOYSA-N 425.246 2.101 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1653634677 FUQLFEIZESYLBS-MUUNZHRXSA-N 425.938 2.316 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 1657244812 VKEWDLDQFRWDBD-MSOLQXFVSA-N 449.573 2.480 30 10 IEEE CC(C)(C#N)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1671544729 BUJYYNVYPWMESF-CYBMUJFWSA-N 426.258 2.023 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1 1689835303 JTLMPFKIVZAZOG-HNNXBMFYSA-N 425.514 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1689847296 WUHKLQORYRSRNJ-PMACEKPBSA-N 432.576 2.347 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@](C)(O)CCOC)c1 1689870349 KYAUDWGIAQWTSP-DEOSSOPVSA-N 448.527 2.184 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689979411 AIGGJEJSSCABRZ-SFHVURJKSA-N 440.573 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)CC1CC1 1690039496 HYXCTCBKNBUQDM-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCc2ccccc21 1690052443 IOHPCSWZDGONPF-VWLOTQADSA-N 428.540 2.437 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCOC[C@H]1OC 1690087308 RVMKQBYLIJFQJW-UYAOXDASSA-N 443.523 2.247 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1690242990 GBXGVYOAYHOLMA-PZJWPPBQSA-N 425.533 2.221 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1690597039 HUYIYRWYQBCABD-OAHLLOKOSA-N 437.953 2.486 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690733745 LYUMVCOMDOTUTA-OAHLLOKOSA-N 430.534 2.234 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690750131 ASNSGOGDWNYZFA-QFBILLFUSA-N 443.573 2.500 30 10 IEEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1692271554 HMWJFBRLGPTNIW-XMSQKQJNSA-N 443.573 2.239 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CCN1CCOC 1694923962 IAJHTTKJPNHCLX-UXHICEINSA-N 430.528 2.348 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccco1 1698164665 HHEXHSMOTSRSSZ-QGZVFWFLSA-N 437.504 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1705478218 YBIIQSJVFDAVCS-JKSUJKDBSA-N 435.525 2.051 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1cnn(C)c1 1705489496 QHHMGFCPPHACJX-INIZCTEOSA-N 440.577 2.062 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1705542673 LOPGLZCYKIPKLY-HNNXBMFYSA-N 437.953 2.176 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1705551169 IEXUIDUXTOSLHV-RBUKOAKNSA-N 446.596 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C 1705575976 DFDDSRRDFAOIKL-UHFFFAOYSA-N 443.573 2.083 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1 1705587638 CXZQOEUBUFHWLO-UHFFFAOYSA-N 435.528 2.237 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccccc1Cl 1705601129 YYVZDCUCXMCRGQ-HSZRJFAPSA-N 439.947 2.425 30 10 IEEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)(F)F)CC1 1705770517 JSSMXNRSQDZFGX-UHFFFAOYSA-N 433.438 2.352 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705818829 WJYDCCCGFWMDKZ-QGZVFWFLSA-N 440.552 2.019 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705821217 OTYFRHVSGWBNCG-UHFFFAOYSA-N 432.532 2.051 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)C1 1705895449 HJAWGQIFNIJCEQ-UHFFFAOYSA-N 429.269 2.194 30 10 IEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)cs1 1707293158 ATAHYWLNZTYWEP-UHFFFAOYSA-N 430.559 2.220 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCCOC(F)(F)F 1708153257 NMJPBHLOVHQPNM-ZDUSSCGKSA-N 436.442 2.459 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1708153679 ZJKMXAHJTPPBAH-VQIMIIECSA-N 438.532 2.211 30 10 IEEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1710826328 WFURUPKFCROYMV-INIZCTEOSA-N 436.520 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc([C@H](C)O)cc1 1722419314 XGRBETZQHIQZQY-KRWDZBQOSA-N 434.500 2.113 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1722434667 WXBUCUHFYYWBGM-OAQYLSRUSA-N 447.587 2.073 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722462274 LPQLKAHKBPAASY-GOSISDBHSA-N 441.557 2.079 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)CCC(C)C 1722466950 IVBXSOMDWDEENA-PWIZWCRZSA-N 425.599 2.068 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1722471950 XFEFFYNRMUFJQU-WAIKUNEKSA-N 439.516 2.295 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1722502460 UWNOOJQWCCIJGV-SJORKVTESA-N 426.631 2.411 30 10 IEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722534286 LZMMHABCJVQCJH-PZJWPPBQSA-N 426.565 2.014 30 10 IEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722618905 OYKBNIPVHDKDQZ-SFHVURJKSA-N 428.562 2.496 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722626491 CZEFSWAHTFLBLU-CYBMUJFWSA-N 439.442 2.057 30 10 IEEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)s1 1726340525 BXZIDZSOIBQJTM-CHWSQXEVSA-N 445.574 2.283 30 10 IEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](OCCOC)C2)no1 1727460131 ZXDZJSZJGSDKDY-SFHVURJKSA-N 437.504 2.247 30 10 IEEE CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N(C)C)cc1OC 1728210324 CJRUYKWXYYQTSS-OAQYLSRUSA-N 430.484 2.273 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCCCCC1 1729071447 UDFAPPWYAIFOIN-UHFFFAOYSA-N 439.564 2.493 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1740542481 WFEWWJMSWAZPKO-RTBURBONSA-N 433.564 2.499 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1740616021 PXHMXHYOCPDQNC-GOSISDBHSA-N 449.621 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1740653202 DJRSXXUCFJRYNE-KRWDZBQOSA-N 445.527 2.362 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC 1740730001 PMJMXXCJARWMGI-XMMPIXPASA-N 447.543 2.364 30 10 IEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740795693 ANFVWHLZTJGKSI-IBGZPJMESA-N 425.533 2.303 30 10 IEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1 1740883843 HSQUAMRTYYEQLH-UHFFFAOYSA-N 434.562 2.150 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H]1CSC 1740955458 VDLYPUNVIKRADN-INIZCTEOSA-N 429.546 2.350 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N(C)CC)C1 1740977375 GKXGVLZBNQPGRI-KRWDZBQOSA-N 429.521 2.222 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)COCCO1 1741190867 OBYRDWDFPIICBB-JOCHJYFZSA-N 426.521 2.207 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1748779628 RCIXKDMJPAZNTB-UHFFFAOYSA-N 432.546 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCC[C@H]1C 1748828315 BNQYLUUSCYKCRX-SJLPKXTDSA-N 440.573 2.044 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1c(F)cccc1N1CCCC1 1748851988 SMDDPAWCRBWDSJ-UHFFFAOYSA-N 434.519 2.261 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1749180516 CQRQPLPBSFMAPU-UGKGYDQZSA-N 427.505 2.149 30 10 IEEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1)C1CC1 1749512180 UTDYCSTXLWOGFG-UHFFFAOYSA-N 445.325 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(C)(C)C 1749666634 OTMUTXYDHBZCOL-UHFFFAOYSA-N 433.582 2.023 30 10 IEEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1749694600 TUPBEZVYZOQISX-LJQANCHMSA-N 447.561 2.169 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCO[C@@H]1C(C)C 1750030982 SXVIDUQGNVYAMY-VURPSTOHSA-N 446.596 2.240 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(c2ccncc2)CC1 1750948071 DAZQTUYSPVQESA-JOCHJYFZSA-N 440.527 2.170 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1760099318 DWPLIZMXORNBMG-HXOBKFHXSA-N 425.533 2.185 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC(C)(C)N1CCOCC1 1760123544 IDYBNUYKZDIHQO-SFHVURJKSA-N 427.549 2.434 30 10 IEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCCC)[C@H]1CCS(=O)(=O)C1 1760191879 ASTMYRQYIHYCKU-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCCCC2)CC1 1760258616 PNRPQJKHLLPMNX-UHFFFAOYSA-N 439.560 2.413 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760286960 AYZFISDQOMLIFX-CDMIOBSGSA-N 431.606 2.422 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760347126 FGQHEPKAORYIJX-SFHVURJKSA-N 428.581 2.452 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)c1 1761725677 HFVXDWVIZYIOQB-HSQYWUDLSA-N 429.496 2.456 30 10 IEEE CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763957428 KNVWUWSJRCHCCB-ZBKJMMEJSA-N 436.516 2.477 30 10 IEEE CCN(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1764924821 AZQBDSRYMFVEMO-LEWJYISDSA-N 434.548 2.490 30 10 IEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(OC)CCOC1 1766432529 GMVKSRDEZDJDEB-DENIHFKCSA-N 427.505 2.070 30 10 IEEE COc1ccccc1N1CCN(C(=O)CON=C(N)c2ccc(OC(C)C)cc2)CC1 1848524495 VNGSNESHDOHIGR-UHFFFAOYSA-N 426.517 2.468 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCC(C#N)CC4)CC3)CC2=O)cc1OC 1848655134 JWLZKNAPWSPQFA-SFHVURJKSA-N 440.544 2.283 30 10 IEEE Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851816754 INGOPMMHXZRCRJ-HNNXBMFYSA-N 436.438 2.403 30 10 IEEE Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851816755 INGOPMMHXZRCRJ-OAHLLOKOSA-N 436.438 2.403 30 10 IEEE CCCCN1C(=O)CC[C@H](C(=O)N(C)C(C[N+](=O)[O-])=NC)[C@@H]1c1cccc2c1OCO2 1853019029 UKBHHSVXDLMQBV-KXBFYZLASA-N 432.477 2.259 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCc2cccc(-c3ccccc3)c2)CCN1S(=O)(=O)CC#N 1854641353 CMAJKLWBJUNVKW-QGZVFWFLSA-N 425.510 2.199 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H](F)CC(F)(F)F)C(=O)C3)C2)s1 1856309464 PALLABSTJNDZMU-IUODEOHRSA-N 432.443 2.155 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@H]2C)ccc1F 1857487900 GNRFCOIKJDGTRK-OAHLLOKOSA-N 429.473 2.376 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccncc2)cc1 1858669767 VZCYHPRNUIXDBR-UHFFFAOYSA-N 435.465 2.394 30 10 IEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862182528 QYEGOWXLQAGDSE-SFHVURJKSA-N 441.528 2.312 30 10 IEEE O=C(NCCCCN1CCCC1)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869931989 OVIAYZLUDCCEHS-NRFANRHFSA-N 440.569 2.459 30 10 IEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545471 MAGJVHWVOGXTMC-UHFFFAOYSA-N 445.587 2.485 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C(=O)O)cc1 1874470503 IVUCGOHDEXHXAF-KEBDBYFISA-N 446.514 2.235 30 10 IEEE CN(CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1ccccc1 1890667670 HIUCMJUYOYZMIF-UHFFFAOYSA-N 439.581 2.339 30 10 IEEE CC1(C)OB([C@@H]2[C@@H]3CN(S(=O)(=O)N4CC(OCc5ccccc5)C4)C[C@@H]32)OC1(C)C 1999985661 LRZAXFMTLHKOGZ-REPLKXPHSA-N 434.367 2.156 30 10 IEEE C#CCN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[C@@H]1CCOC1 2009820121 OULGVVRMLZYHKY-YKSBVNFPSA-N 427.545 2.407 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2009841833 CZTYDGUNNHLVCF-RPWUZVMVSA-N 428.529 2.427 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010512529 BBNMPOJHSUQXFR-VAMGGRTRSA-N 428.533 2.153 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060820342 FIILWHRNCLWLER-PMACEKPBSA-N 438.532 2.082 30 10 IEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2124538497 KKDDUUYMRRMZNT-UHFFFAOYSA-N 446.353 2.238 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390140 PHFAWPUNGBGANC-LBPRGKRZSA-N 425.360 2.475 30 10 IEEE C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243675561 YAUNSBDWBXNYPH-GFCCVEGCSA-N 425.360 2.219 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2247780925 LOUIKSMVBVNUDC-VQFNDLOPSA-N 425.363 2.303 30 10 IEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2247832889 XBVCEBLBFHSPFJ-YUNKPMOVSA-N 435.355 2.182 30 10 IEEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248401111 FPHSUUQHDKLXFE-IUODEOHRSA-N 440.371 2.110 30 10 IEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1ncccc1B1OC(C)(C)C(C)(C)O1 2254640535 PKVJHJUEZYWXMF-UHFFFAOYSA-N 434.390 2.274 30 10 IEEE C[C@H]1O[C@]2(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2254810714 LBWVGESNEAKLPD-IBPUDULPSA-N 440.544 2.438 30 10 IEEE CC[C@H]1[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255632736 QSXQJTABSVYHST-CABCVRRESA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@@H]2C1 2255848319 ZFTHWGFWFOAMIJ-GJZGRUSLSA-N 432.326 2.422 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2255873489 KZACJXYIBIFZNV-JOCHJYFZSA-N 433.358 2.454 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255953685 MOMXQSPOTCMGMW-XJKSGUPXSA-N 432.326 2.334 30 10 IEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2256882316 ISGUCBPTCSIZNH-QGZVFWFLSA-N 429.278 2.287 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267138628 YOVODVZSUCHACU-QFIPXVFZSA-N 448.373 2.476 30 10 IEEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267138655 YVVKNPICXRESAL-HUUCEWRRSA-N 448.373 2.474 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267140161 ASGUMSYWOYTUPM-CQSZACIVSA-N 448.373 2.474 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)n1 2267197057 VOTWBBJJJZHOGX-OALUTQOASA-N 436.365 2.066 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267291573 RWXHOYWGXILSHK-OLZOCXBDSA-N 444.259 2.498 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267509650 YZXDLHKHQXUROT-OAHLLOKOSA-N 447.341 2.360 30 10 IEEE Cn1cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267525039 YVUZYORXPPHNJF-JOCHJYFZSA-N 448.373 2.143 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267596539 KCIFNGITGGCHDA-IRXDYDNUSA-N 446.353 2.004 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OC(C)(C)C 2267599452 PLYDVAWRNGZMFR-WBWVDOBWSA-N 445.369 2.500 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)[C@H]2C1 2267809309 AMIAHHRKYXUKOO-VQFNDLOPSA-N 444.337 2.287 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268648032 VBYOZVWLLJIBDI-IVZQSRNASA-N 447.341 2.249 30 10 IEEE CC1(C)OB(c2cc(F)ccc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2270599418 LTWSBILHTYSGLS-UHFFFAOYSA-N 444.234 2.408 30 10 IEEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1OC 2293031546 SRWQNXBPRSHUDR-UHFFFAOYSA-N 440.496 2.136 30 10 IEEE C=CC1(N[C@](C)(COCCNC(=O)OC(C)(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2306608312 TVBCUSKIAPTBPS-HXUWFJFHSA-N 443.541 2.136 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1C 2330748374 CVHTZKCEMRMLPM-UHFFFAOYSA-N 426.502 2.106 30 10 IEEE CC(=O)NCc1nnc(SCCO)n1N=Cc1cccc(OCc2ccccc2)c1 2330794129 FDBRRUVBRWKISY-UHFFFAOYSA-N 425.514 2.460 30 10 IEEE COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1C(=O)OC 4262465 ZECFBQSMEPCVGW-VULILCKWSA-N 428.437 2.394 30 10 IEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2cccc(OC)c2)c1=O 21655832 YQYWXABWCTVEDT-UHFFFAOYSA-N 443.529 2.299 30 10 IEEE CCN(C/C(N)=N/O)C(=O)c1cc(I)ccc1Br 233437297 ACCITJURFKEDKI-UHFFFAOYSA-N 426.052 2.262 30 10 IEEE COc1ccc(CNC(=O)[C@@H](C)OC(=O)CON=C(C)c2ccc3c(c2)OCO3)cc1 254806549 ZFRCBDPHPIWDKL-OAHLLOKOSA-N 428.441 2.413 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CCc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 396497487 SHUNEWAESPTMQU-KRWDZBQOSA-N 432.374 2.307 30 10 IEEE COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@H](C)n3cnc(C#N)n3)c2)cc1 409683023 ALMYUSDBLVLCQW-HNNXBMFYSA-N 434.456 2.167 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NCC2CCC(C#N)CC2)c1 441673879 WZMUYUVKRIZVOF-UHFFFAOYSA-N 449.577 2.225 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cc1 441761549 HNIURRRCYMLBSL-UHFFFAOYSA-N 438.410 2.344 30 10 IEEE N#CC1CCC(CNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC1 443320903 NYLGWUQEUFXWQY-UHFFFAOYSA-N 432.546 2.246 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC(=O)N2C)cc1 461305198 XHSAQJJGSMMWNH-RXVVDRJESA-N 430.468 2.614 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C 469186412 XITBXTVXHAQTKI-LIRRHRJNSA-N 428.514 2.249 30 10 IEEE N#Cc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)nc1 498113545 FATCOMGRKGHQPO-QGZVFWFLSA-N 429.402 2.426 30 10 IEEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 503420139 RGTUWXQPROBLAI-ZUOKHONESA-N 435.502 2.018 30 10 IEEE CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccc(OC)cc1 503645926 XWEQYAHKKIVTMD-REWPJTCUSA-N 440.544 2.359 30 10 IEEE COCCn1cc(NC(=O)[C@@H](C#N)c2nc(O)c3cc(Br)ccc3n2)cn1 505433086 MZZMFHGIOUWFFD-ZDUSSCGKSA-N 431.250 2.187 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 505495984 PVQMUFPGNMOBSB-QFIPXVFZSA-N 432.496 2.170 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@H]1c1cccnc1 510791374 FPHYPJLOBZXLLC-IFMALSPDSA-N 431.496 2.350 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CC(C)C 516829911 ZMKHQIGOVIJXSU-UHFFFAOYSA-N 437.565 2.160 30 10 IEEE COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546204909 RCTNVKMFVXNCKR-KRWDZBQOSA-N 425.876 2.069 30 10 IEEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1Cc1ccccc1 555149651 VNPIJKOJTPMRTA-UHFFFAOYSA-N 436.541 2.271 30 10 IEEE COC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 573388779 XUVYCJUVHKZFEI-FQEVSTJZSA-N 433.468 2.155 30 10 IEEE Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 585472125 JFSMQSRPSHMETM-UHFFFAOYSA-N 426.546 2.158 30 10 IEEE COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1OC 585729986 UCGAEASMBVARSQ-UHFFFAOYSA-N 447.860 2.388 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)CCC(=O)N2CCOc3ccccc32)cc1Cl 731771986 IGDBBXUOKYJSNF-UHFFFAOYSA-N 433.873 2.222 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H]1CCOc2ccccc21 742144278 CRFOBBJKYYWDCO-IBGZPJMESA-N 449.532 2.294 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2)CC1 757607240 WDGQBBKVKIRGPW-UYAOXDASSA-N 427.549 2.317 30 10 IEEE CC(Cn1cc(Br)ccc1=O)=NNC(=S)NCc1ccc2c(c1)OCO2 761749265 OFXAXQANCQBYNI-UHFFFAOYSA-N 437.319 2.380 30 10 IEEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N(C)CCC#N 767830326 QPJQCWNYAMBUHB-NSHDSACASA-N 431.308 2.078 30 10 IEEE CN(CCC#N)c1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 768157312 QVKGBWLUQXWDTO-UHFFFAOYSA-N 443.529 2.451 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cnccn2)c1 774583929 ZDEBHJJPWZYDIO-IBGZPJMESA-N 440.573 2.027 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2csc(I)c2)n1 788819408 JJCVLNMODINSTK-UHFFFAOYSA-N 429.283 2.471 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCCN(c3ccccc3C#N)CC2)=NO1 789975351 YEDLBNPADZSFOL-KRWDZBQOSA-N 427.505 2.267 30 10 IEEE C#CCNC(=O)[C@H](C)OC(=O)c1cc(Br)cc(I)c1 803864824 USOJAXNBSYMTPG-QMMMGPOBSA-N 436.043 2.348 30 10 IEEE C[C@H]1CN(CCN(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@@H](C)O1 807247949 HANDHRZYRCYXNH-CALCHBBNSA-N 440.569 2.471 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812431822 QEWUGBZBOTVIMW-IKGGRYGDSA-N 434.541 2.361 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)CCc2ccccc2Br)n1 812508684 GDZRBSHUWNJCBJ-UHFFFAOYSA-N 440.363 2.300 30 10 IEEE CCC(C)(C)NC(=O)CON=C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 913033357 GTEKKJGWTVEPOI-UHFFFAOYSA-N 438.550 2.107 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 919765244 BIQUYJNHCSLLSX-UHFFFAOYSA-N 425.510 2.306 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc1OC 1083979208 VUMHZEAFLWAMLH-UHFFFAOYSA-N 441.517 2.494 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)n[nH]2)c1C 1157051865 VHKRPRBCNMBUNU-MRXNPFEDSA-N 426.443 2.069 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C 1157711266 BNYHYBSIINDEHT-OAHLLOKOSA-N 426.477 2.135 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)OC)Cc2ccccc2)ccc1F 1180032280 IYLSDMRUFPELCM-QGZVFWFLSA-N 434.489 2.194 30 10 IEEE C=CCn1c(SCC(=O)N2C[C@@H](CO)[C@@H](CCO)C2)nnc1-c1ccc(Cl)cc1 1181243965 ZEHNWIMOQYFSML-HOTGVXAUSA-N 436.965 2.326 30 10 IEEE COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1186597835 BAGAKBYECBEMBC-UHFFFAOYSA-N 443.525 2.296 30 10 IEEE COC(=O)[C@@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1196239103 XEGLAIKZFMRRFZ-HSZRJFAPSA-N 440.500 2.177 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ncn(-c3ccccc3)n2)cc1 1198250813 IKTKOPRRQPLAHY-UHFFFAOYSA-N 426.502 2.396 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388304 NCDAWDKFSNJBBB-AZUAARDMSA-N 444.557 2.005 30 10 IEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1286388424 OVHMRIKLJKKVCQ-OSJSJHBBSA-N 428.514 2.267 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286396977 ZNLYVOIXGQJFHB-MSOLQXFVSA-N 434.537 2.464 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1286447111 JDXLAGCFEMGTMZ-AZUAARDMSA-N 445.589 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](C)C2)CC1 1286488877 WXGCUQPTTZSSOZ-GLDPYIMESA-N 443.592 2.332 30 10 IEEE C#CCSCCn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1286512077 INMPREHTGQEZNC-NQIIRXRSSA-N 430.578 2.372 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)CC1 1286514864 QYYKCLWSTOJNCF-HOTGVXAUSA-N 447.527 2.053 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1286692669 LIPDDSGYHHPPMA-KRWDZBQOSA-N 431.562 2.277 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1286717950 QZTNINJDQIYKAR-ZDUSSCGKSA-N 442.383 2.493 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1286789015 MUAOHHURGNIOAR-QGZVFWFLSA-N 442.520 2.345 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(C)ccc1F 1286793759 LLAIVGUKUFYXMG-JXFKEZNVSA-N 431.512 2.388 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1F 1289600211 NGMQSDKMFIZBRV-FQEVSTJZSA-N 448.564 2.389 30 10 IEEE C[S@@](=O)C1(C(=O)NCc2ccc(OCC#N)cc2)CCN(C(=O)OC(C)(C)C)CC1 1292736892 SJXPQLLDUVLUNR-SSEXGKCCSA-N 435.546 2.353 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)s1 1295095548 UHYCXFJNCYCDIE-YLJYHZDGSA-N 437.562 2.456 30 10 IEEE N#Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1 1297867998 BGKARCADGZNUDS-KRWDZBQOSA-N 430.555 2.497 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1298583689 QCLVSCIONRWGSA-HXUWFJFHSA-N 441.532 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1300291223 SOQHNEFZVRXMFK-JKSUJKDBSA-N 432.546 2.245 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1300325394 YTEQCODMQFKNKC-WOJBJXKFSA-N 440.592 2.350 30 10 IEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1300345124 PHJNISNXAWMRSR-UHFFFAOYSA-N 449.353 2.134 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1300699531 DYCFIPBGVKCEDJ-BHIFYINESA-N 428.625 2.295 30 10 IEEE COC(=O)[C@]1(N2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)CCOC1 1301069490 CUDYQGXACMUEOD-DEOSSOPVSA-N 435.480 2.440 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301185524 GGSSAUOBPIKLNR-KRWDZBQOSA-N 441.536 2.281 30 10 IEEE COCC1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301319885 UUNZJPLGOKMLDO-XUTLUUPISA-N 428.537 2.325 30 10 IEEE CC(C)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccc(Cl)cc1 1301460103 FZCANFFXMYQYHM-VQTJNVASSA-N 435.933 2.364 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)O)C1 1301534810 FCHUHXFVZDKLEG-KRWDZBQOSA-N 433.940 2.414 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(C)C1CCC(NC(C)=O)CC1 1301568811 KJTGSJIWBYTVEI-FAEJEUNOSA-N 425.599 2.276 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1301809253 ONUNERLHIOFBHX-DRSNIGMVSA-N 432.569 2.041 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1 1301866200 AOQMZQTWCBNHMM-AVRDEDQJSA-N 425.554 2.239 30 10 IEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1301889739 BPHBENXVKCPIFX-UHFFFAOYSA-N 449.515 2.426 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC=CO1 1302038897 RNJZULYWRSABTR-CRAIPNDOSA-N 440.504 2.230 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)C 1302309700 ZKMYNGYDKLXOAN-ICSRJNTNSA-N 425.537 2.251 30 10 IEEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(Br)n2)CCO1 1303004106 MRGHMCNUOPTSOW-GJZGRUSLSA-N 433.310 2.454 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1313589649 JNPMXLVJFNOGEV-MRXNPFEDSA-N 439.488 2.459 30 10 IEEE CNC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 1315053008 DPPQDJIWHGIWAZ-KRWDZBQOSA-N 426.521 2.154 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)c1 1315347899 AMGAMWIIKORZAN-FQEVSTJZSA-N 426.456 2.074 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCCC1 1358944213 KRJMMPRYWWVBFQ-UHFFFAOYSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1358955044 CRRNPVVXVPYYEH-HUUCEWRRSA-N 428.649 2.051 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc(OC)c2)CC1 1359028668 ZWYFBTMKYCDWKE-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359057286 WLTPHRHWZCGVAX-RBUKOAKNSA-N 446.621 2.121 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359123070 MFFADHJGIIJUPL-UHFFFAOYSA-N 437.592 2.365 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C(=O)NC 1359133712 YDEKEJSYZVHRDA-APWZRJJASA-N 429.521 2.202 30 10 IEEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359163975 ZTTQWMYSOBSHTK-QGZVFWFLSA-N 439.486 2.488 30 10 IEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359206165 WPKPQGMIBITVOT-UHFFFAOYSA-N 449.625 2.356 30 10 IEEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1360128409 ICMCLWRQZXAPGY-UHFFFAOYSA-N 430.578 2.170 30 10 IEEE Cn1cc(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)n1 1435358418 BPBJAUZLXVHALM-UHFFFAOYSA-N 427.511 2.353 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 1440715045 RVDIKGSWKOKATF-KTKRTIGZSA-N 431.470 2.274 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)c1 1442572020 OWUSGPWTGFTKAW-FQEVSTJZSA-N 449.479 2.065 30 10 IEEE COc1ccnc(N2CCN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CC2)n1 1442735212 YNMYLGBBYJVRIL-UHFFFAOYSA-N 429.484 2.326 30 10 IEEE CCOC1CC(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)(N2CCOCC2)C1 1448722127 PVQLKKAFTWJXIF-UHFFFAOYSA-N 449.592 2.023 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ncon2)C1 1456012614 FKQZTLVHZIAYLI-HNNXBMFYSA-N 431.518 2.075 30 10 IEEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1460934499 DRHNUMCARDITMZ-HXUWFJFHSA-N 446.425 2.479 30 10 IEEE Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1B1OC(C)(C)C(C)(C)O1 1463860337 LMSOCFFXPGCEBV-UHFFFAOYSA-N 437.349 2.456 30 10 IEEE Cn1ccnc1[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 1463862131 DGQRHCNMISMPSD-SMDDNHRTSA-N 443.298 2.392 30 10 IEEE C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 1470706129 YUIJGVXHIKKQQF-HXUWFJFHSA-N 430.302 2.160 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)OC 1475688358 JPPSTXZWHJSDDH-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE CC[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499759080 RPYQRBVCLFZCPR-IBGZPJMESA-N 435.532 2.324 30 10 IEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507564400 PJSCRVNXRDAVJM-INIZCTEOSA-N 427.471 2.480 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc(C(C)(C)C)s1 1507713223 AZXTVHCCGKSUTR-UHFFFAOYSA-N 442.593 2.423 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507724167 JCNBOOPTRHRELU-IBGZPJMESA-N 440.979 2.192 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507746589 AGLSEUOYYIYLRB-SFHVURJKSA-N 426.590 2.396 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1507810653 XPGKHRNBAJEZTO-DENIHFKCSA-N 431.581 2.287 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1507840667 NWUHGHAJJIQYAX-QHCPKHFHSA-N 441.532 2.271 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCC 1507997316 RCTSRLAXXJKYSD-UHFFFAOYSA-N 435.532 2.105 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1508104137 IPNGVIYVZQDHAW-DYESRHJHSA-N 445.520 2.235 30 10 IEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1508165376 SYAGHDGVGGVJOM-IBGZPJMESA-N 429.590 2.340 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1510288192 OANTUFIYWPCHKZ-NRFANRHFSA-N 442.545 2.008 30 10 IEEE C[C@]1(C(N)=O)CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)C1 1510308451 WZIRXDMTRWAGKE-NRFANRHFSA-N 426.427 2.362 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1515098159 ABTAYOCSBMKALU-HNNXBMFYSA-N 449.481 2.416 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)cc1OC 1516277603 TXTDVVIEWZBAEA-HNNXBMFYSA-N 437.447 2.363 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1COCCO1 1519152451 QDLCEBZCLRTGKL-LEWJYISDSA-N 441.532 2.112 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1519370819 UHSKEIMVJIGDSK-OAQYLSRUSA-N 435.532 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1521758560 AMFIPTCMBLVCFN-FDDCHVKYSA-N 442.516 2.196 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)[C@@H](C#N)C1 1525127593 YRTVFWPBFKUULI-ZDUSSCGKSA-N 432.433 2.341 30 10 IEEE COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1531658384 DVGPOTHJKNTCCU-RDJZCZTQSA-N 433.892 2.135 30 10 IEEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)O1 1538455432 DJCAWSCAINIVNJ-CADBVGFASA-N 439.553 2.385 30 10 IEEE C[C@H](Sc1nc(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cs1)C(N)=O 1539069587 MRNWDFZIHXEHPM-YGONEPDPSA-N 445.570 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cc2c(cc1OC(F)F)OCO2 1539257938 PILUDCWZFJLGRZ-UHFFFAOYSA-N 438.394 2.186 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1539266109 MDQVIMQZCQZIBY-OTWHNJEPSA-N 432.590 2.094 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCc1cccc(C(=O)N(C)C)c1 1539407733 NFXDBWOOYLYYCP-UHFFFAOYSA-N 432.528 2.371 30 10 IEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540092961 ULTFRHBZOGXNRF-LMNJBCLMSA-N 442.564 2.293 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCOC1 1540897640 OIIDLBOVFODHBD-RDJZCZTQSA-N 438.525 2.383 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540908149 QGSHHNLIPSUTOR-KKSFZXQISA-N 444.561 2.229 30 10 IEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCO2 1555559121 MYQXHXJVNPOWOM-UHFFFAOYSA-N 438.532 2.140 30 10 IEEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)Nc3ccc(C#N)cn3)C2)nn1 1563124286 DLZWOQPHMGSXAP-MRXNPFEDSA-N 426.481 2.438 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)c1 1569420579 UKWJYMPXPYCRLV-UHFFFAOYSA-N 425.554 2.383 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1586184304 ANCRGFKHUYRKPT-CQSZACIVSA-N 429.458 2.074 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1587640274 QNDVSXLABHBNPT-SJLPKXTDSA-N 433.553 2.471 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC2(S(C)(=O)=O)CC2)c1 1587683804 OHDVCRNAOIRAND-INIZCTEOSA-N 443.573 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)CC 1588245964 XFTGCVAOARMCRT-SANMLTNESA-N 448.615 2.267 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1Br 1588574452 IHEJHRDOYPUVIH-UHFFFAOYSA-N 434.338 2.313 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589420966 ASBSAZFEEGUOJR-UHFFFAOYSA-N 441.418 2.376 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593682812 CYUNDGWNRQXUKM-HSZRJFAPSA-N 440.548 2.252 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1593696289 MZCCRQQVKNEAJW-QGZVFWFLSA-N 441.598 2.021 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1593703175 FKTJLUPYIRMGFT-INIZCTEOSA-N 448.474 2.353 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1593884115 BXLOZWHKYQWLQF-MRXNPFEDSA-N 443.932 2.139 30 10 IEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1594885379 FVEHYGSTJUAEJH-XDOYNYLZSA-N 444.499 2.484 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1596721967 FKGWBIYMAMWFQQ-NHCUHLMSSA-N 438.532 2.495 30 10 IEEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1597197840 XKMMBYBHWNFPJO-GOSISDBHSA-N 446.577 2.007 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1597337085 NEWRWZORCASHHS-GOSISDBHSA-N 426.521 2.121 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccon1)N1CCOCC1 1611598818 DELMWONFSXUYGB-QGZVFWFLSA-N 437.504 2.074 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1F 1611684194 HWVIGQJOOWMKJN-OAHLLOKOSA-N 434.541 2.400 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612863878 XTXSJTGAXLRBGQ-WGLILOHCSA-N 440.479 2.369 30 10 IEEE CC[C@H](C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1613297751 XKTGRJNLUJRWGC-SFHVURJKSA-N 439.564 2.439 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1619852003 FBHMBFNBQKLALO-QHCPKHFHSA-N 440.548 2.066 30 10 IEEE COC(=O)c1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1621158293 RULUYXYWYNXNJE-BXFSZVDSSA-N 428.489 2.271 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)c1 1624881718 WUBLASSFWGFQJQ-UHFFFAOYSA-N 426.523 2.269 30 10 IEEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1627413472 OATZXUHWHYWBBV-FQEVSTJZSA-N 425.460 2.348 30 10 IEEE C=CCONC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1F 1636770414 JXPXDMWCTVJLDP-UHFFFAOYSA-N 425.394 2.391 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)CCO3)n[nH]2)c1C 1637512958 AOPIACBRTTYIJD-INIZCTEOSA-N 444.536 2.442 30 10 IEEE C#C[C@@H](CO)NC(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc12 1641574051 DDHHAWYLUKDIBR-UWVGGRQHSA-N 444.656 2.370 30 10 IEEE C#CCN(C(=O)c1cccc(Nc2nn[nH]n2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454599 MLEFEKAPQOKXPH-UHFFFAOYSA-N 425.493 2.418 30 10 IEEE C[C@]1(Cc2ccc(I)cc2)CCCN1C(=O)Cn1cnc(C#N)n1 1648101111 MOGBSJAAZLVYQK-QGZVFWFLSA-N 435.269 2.378 30 10 IEEE C=CCOc1c(Br)cc(CNC[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1656911724 HQNGLPVYFCEIEA-ZDUSSCGKSA-N 433.368 2.394 30 10 IEEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)ccc1Br 1662369689 GIUKUDWOBKLLIW-LLVKDONJSA-N 447.257 2.317 30 10 IEEE C=CCCn1cc(CNS(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)nn1 1670839573 ZGOHUAHPLDHJDF-UHFFFAOYSA-N 443.323 2.272 30 10 IEEE C#CCC1(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCCCC1 1671761071 NZPVNMXAEXCIMF-UHFFFAOYSA-N 440.587 2.020 30 10 IEEE NC(=O)c1cc(CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)on1 1680876586 LCNSRYZYPZBNOV-RNFRBKRXSA-N 436.259 2.086 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1689830462 ADCUZIBAEKEEAE-LWJIDSCHSA-N 430.574 2.315 30 10 IEEE C#CCCCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OCC)CCOC1 1689906087 HRVXXUYOXCTZCV-HSZRJFAPSA-N 441.532 2.289 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1689969324 SBEGWFUNTXXTLV-MRXNPFEDSA-N 437.573 2.372 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1689986866 YRFQSGWVYKODIU-HNNXBMFYSA-N 445.495 2.421 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1690013074 ALKVAZIVRPOYPC-SFHVURJKSA-N 431.544 2.259 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690159777 MLPWRBBXRXJVMK-FQEVSTJZSA-N 426.502 2.079 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1690259400 HXLIHEVCXHJYCA-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCN(c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690548872 RCUYTLOWCRRKAK-QFIPXVFZSA-N 430.574 2.158 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1705674566 MCVVQBJLJNAZMW-WOIUINJBSA-N 433.622 2.437 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1705739565 KTTWAERORINQCE-UHFFFAOYSA-N 439.564 2.017 30 10 IEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705945136 CJRBXTUDNMUMSP-LJQANCHMSA-N 448.637 2.183 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1712222366 DVGDPOUCVDKLQZ-LEWJYISDSA-N 439.516 2.052 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1722293055 BKBAUNWEYOEYNX-HBFSDRIKSA-N 445.589 2.181 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H](C)CN2CCOCC2)c1 1722306142 YXFLUCSGGCLKRI-LJQANCHMSA-N 438.576 2.426 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(C)COC2)c1 1722307942 ZGCUAFFLFITZBY-UHFFFAOYSA-N 430.512 2.357 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CN(CC(C)C)CCO1 1722347704 MODBLGUDTJCEIL-LJQANCHMSA-N 427.549 2.389 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722374308 WYZQDCCPCOLFLN-ZNMIVQPWSA-N 431.484 2.255 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCC[C@H]1C 1722400807 ZXFSRHOYKCCDQT-CJFMBICVSA-N 447.587 2.466 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)C1CCCCC1 1722418973 JUCKXQDOZYTHEZ-HSZRJFAPSA-N 440.548 2.343 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1722435385 HULIHPOLUZZNGH-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O 1722652512 HOIKURQDPZZMAF-HSZRJFAPSA-N 440.548 2.096 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(Cl)ccc2C1 1722692333 JBQDLSRLKAVDCV-UHFFFAOYSA-N 428.924 2.032 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](COC)C1 1722692413 LKVFWFGVCGRKEZ-SFHVURJKSA-N 440.548 2.312 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1723678519 RTVCHZUAZGXPKB-FCHUYYIVSA-N 433.553 2.254 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1730798886 HEDUIXILJXYJLM-HSZRJFAPSA-N 440.548 2.066 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740551344 TVRFTJWEGURKHX-WMZOPIPTSA-N 443.552 2.309 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1740565146 KKQZFKUPCRLJBL-UHFFFAOYSA-N 428.581 2.449 30 10 IEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740597152 KAMXLEJPOUASKI-INIZCTEOSA-N 426.546 2.206 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nncn1C 1740630494 KBLJTKUFXGOENV-UHFFFAOYSA-N 428.269 2.096 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCOc2ccccc21 1740678341 KBSNSAYUMUJWNW-GOSISDBHSA-N 425.533 2.459 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC(C)(C)C)CC1 1740693029 SOAWSIBKFNXTCK-UHFFFAOYSA-N 429.956 2.054 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C)n2)CC1 1740706723 ANFCTYZJXULYMK-UHFFFAOYSA-N 443.555 2.176 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC=C)CC1 1740708274 JNKHFZSIJKKPIC-UHFFFAOYSA-N 440.573 2.202 30 10 IEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCOC1 1740709586 PKXZKMKUIVRXCZ-QGZVFWFLSA-N 433.965 2.453 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1740774259 PFYSNCZKVUASFQ-IBGZPJMESA-N 445.589 2.289 30 10 IEEE C=CCCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1740866522 GRDHHNNZJTVZRE-QFIPXVFZSA-N 427.553 2.403 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(OC)C1 1740954074 AXVRKRKDGDSMKL-UHFFFAOYSA-N 426.340 2.296 30 10 IEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740968982 RQBPJJZSOWIAJH-UHFFFAOYSA-N 438.576 2.334 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(OC)c2)C1 1740984123 WKXPWAWNLXYMFN-HXUWFJFHSA-N 425.533 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740992012 KZEPJKDFUZYRDV-OALUTQOASA-N 438.594 2.168 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1748648170 ZRBUFWUQRDCAAP-AWEZNQCLSA-N 432.322 2.024 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1748907511 WHXNHEIUNBFDGG-IBGZPJMESA-N 438.576 2.145 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1748913375 TYHWZLARZDKVLJ-HSZRJFAPSA-N 425.533 2.140 30 10 IEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1748935109 NPJDWBOHMHPHMX-IBGZPJMESA-N 436.560 2.395 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCSc2ccc(C)cc2)CC1 1748971547 UZFWOLACWYKYIX-UHFFFAOYSA-N 426.590 2.272 30 10 IEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749033634 KLSVIQWWLKKVNX-OAQYLSRUSA-N 446.665 2.143 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCOC1 1749039523 WDKWZIGTAISLNR-GOSISDBHSA-N 427.578 2.044 30 10 IEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCNC(=O)C(C)C)CC1 1749298167 DAZMPEFOXZBVOX-UHFFFAOYSA-N 445.593 2.167 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1749582685 NVVSLSYBQGCPAO-LJQANCHMSA-N 445.527 2.439 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749607280 XYEYPYNEQDEGSA-XXBNENTESA-N 435.532 2.332 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1760099254 ZUJKNEQPZCPPSB-CVEARBPZSA-N 442.545 2.358 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1760206358 XPVRNKNCMJGVOA-GOTSBHOMSA-N 433.556 2.146 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(CC)C2)CC1 1760271694 HDZABPDUSBXARW-IBGZPJMESA-N 440.617 2.238 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1760288095 QNIVQRHMIAGBMR-HSZRJFAPSA-N 437.548 2.028 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1760360010 NSCSXULCTSOPIG-QHCPKHFHSA-N 443.523 2.230 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760385529 VVWYWUDXMFDGFY-GOSISDBHSA-N 426.546 2.255 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C)(COC)CC1 1760519478 FXHMTYRRNMUVNT-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1760523893 KHSCMOKSTBTXBD-YVGXBJCXSA-N 431.562 2.196 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCOC)C1 1760545156 OOBHIAOTYJFBAE-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCC2=O)C1 1760571538 NYDUQAURYVTJNT-LNLFQRSKSA-N 435.594 2.122 30 10 IEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1761828606 NGDDGHCTIRGEIO-YADHBBJMSA-N 426.496 2.394 30 10 IEEE Cc1cccc(C)c1OCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1761898755 HBAXUCPHGGMKML-GOSISDBHSA-N 447.499 2.350 30 10 IEEE CC(C)c1nnc(N2CCN(C3CCC3)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763060391 RGBCEKJUEAJDDR-SLNYWTKHSA-N 441.580 2.239 30 10 IEEE CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1765445951 AUFOJRYEDJJCRS-IERDGZPVSA-N 426.500 2.242 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1765605174 NDPSGZQUENTWOZ-APWZRJJASA-N 440.548 2.098 30 10 IEEE CCOCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1766202285 IDENPVKTPNNCNY-OAHLLOKOSA-N 432.550 2.061 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1766931901 DIOOMXHXWGTNNV-NRFANRHFSA-N 447.543 2.448 30 10 IEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1767183727 CYHIOXJSHZCAII-HXUWFJFHSA-N 426.502 2.221 30 10 IEEE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772748173 SIGUGBDKBHBQFU-UHFFFAOYSA-N 425.470 2.096 30 10 IEEE CS(=O)(=O)N1CCC(C(=O)Nc2c(C#N)cnn2-c2cccc(C(F)(F)F)c2)CC1 1851884813 AGNOXXDRIVSUTO-UHFFFAOYSA-N 441.435 2.373 30 10 IEEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 1855714457 YKERLWWZKGNXMI-INIZCTEOSA-N 426.904 2.384 30 10 IEEE CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1857488374 ODGSLEIFBUOPEO-INIZCTEOSA-N 437.949 2.456 30 10 IEEE C=CCNC(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614728 YBFUALIKGKKQAN-HIFRSBDPSA-N 439.965 2.242 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1F 1862627344 NDMYWXGRMYXRHZ-IBGZPJMESA-N 444.390 2.408 30 10 IEEE COc1cc(/C=N/n2cnnc2SCC(=O)Nc2nccs2)cc(OC)c1OC 1874537475 GAGQJFMCTDHEFA-DNTJNYDQSA-N 434.503 2.373 30 10 IEEE Cn1nc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Br)c1Cl 1881517155 VNLXFCFOGFVLQL-MNOVXSKESA-N 447.765 2.281 30 10 IEEE CN(CC#CCNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)Cc1ccccc1 1889422271 QRHQMVRNXYJADC-IBGZPJMESA-N 436.581 2.411 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 1891063522 UHJMCRPMUIZVKA-UHFFFAOYSA-N 442.560 2.176 30 10 IEEE C=CC1(NC(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 1910008543 JHYDNVYFVBQOPO-ZWKOTPCHSA-N 429.517 2.396 30 10 IEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2010403648 HPBMRLKAUQJDHW-OAHLLOKOSA-N 426.319 2.248 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NCc3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2057952819 JCSZNSBQNXWGGL-KYJSFNMBSA-N 434.342 2.303 30 10 IEEE C#CCn1ncc(N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2105973694 BDZABZJDZIERQU-QGZVFWFLSA-N 429.290 2.400 30 10 IEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)nn1 2231049914 SZJUEHUYBFDQPE-MRXNPFEDSA-N 449.361 2.466 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)cs2)OC1(C)C 2247925149 WWFWJGJQBOFQFU-NWDGAFQWSA-N 430.257 2.035 30 10 IEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255366699 JBKDMXNLVYOCPN-MRXNPFEDSA-N 433.358 2.453 30 10 IEEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624822 IUPAWNWVNIKHAA-IBGZPJMESA-N 427.354 2.379 30 10 IEEE CN(C)CCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255812314 GTKNCJMJZYCPHY-UHFFFAOYSA-N 426.370 2.313 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826316 ODKLFNMZADRLIJ-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE CN(C)C[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256024343 VBYGMOJBNQDNAZ-MRXNPFEDSA-N 435.374 2.402 30 10 IEEE C[C@H](C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)N1CC(NC(=O)OC(C)(C)C)C1 2256679300 WBOPBJLVZCGBJP-OAHLLOKOSA-N 435.374 2.374 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267093887 YTYBNFZZQWHROW-KBPBESRZSA-N 448.373 2.330 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267139362 FNNLDBNNZDTSSS-HKUYNNGSSA-N 438.381 2.421 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267187968 GEVHKAFHEYNJET-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2F)OC1(C)C 2267404136 XHYVEPIQAMTGDX-IBGZPJMESA-N 444.234 2.408 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)n1 2267491839 JTXARLCNLPXTFV-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267502684 RIJBLGPSYWYCMU-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2267507433 NYGATDWTAAZFAK-GJZGRUSLSA-N 448.373 2.155 30 10 IEEE Cn1nc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267541193 ACSWLCXECJZKBV-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268632593 LXVONTAWXMMXLC-OAHLLOKOSA-N 447.341 2.345 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2269712259 YSVFVTICWIPDHC-HOTGVXAUSA-N 443.353 2.284 30 10 IEEE O=C1NC(=NS(=O)(=O)Cc2ccccc2)SC1=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 2296796711 FBKNLCBRBAGIAI-UHFFFAOYSA-N 444.450 2.007 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2315491687 QIQKLJVNVBKHOE-UHFFFAOYSA-N 433.358 2.241 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(OC)c(O)c1 2331571175 YQOFSOFFGZBGSL-UHFFFAOYSA-N 434.503 2.208 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2ccc(C#N)cc2Br)C1 2379812758 AZGKJYJQRVEOFN-MRXNPFEDSA-N 435.322 2.492 30 10 IEEE O=C(NCc1ccccn1)c1ccc(Cl)c(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 9529936 BIEGLGZFTGEIPR-HOTGVXAUSA-N 436.946 2.155 30 10 IEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1 20915314 UWGQHZXVAYEIQS-RGVLZGJSSA-N 442.461 2.173 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 57830714 YFSKZNKJRUUUPQ-HDICACEKSA-N 443.548 2.137 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)CC1 58557600 WHEUDCAONZOPHV-UHFFFAOYSA-N 447.539 2.282 30 10 IEEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(N3CCCCC3=O)cc2)cc1 96349335 ZXHYPUMHVAFINJ-UHFFFAOYSA-N 439.537 2.235 30 10 IEEE CCc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc(-c2ccccn2)n1 301190447 YRLCXCYWMXEKGK-UHFFFAOYSA-N 434.525 2.484 30 10 IEEE N#Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 436013649 ZAUVLGGRJUBUMT-UHFFFAOYSA-N 442.497 2.154 30 10 IEEE CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(C)c1 446190108 AWVDMNGNRFKREN-UHFFFAOYSA-N 449.511 2.456 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cn1 461293585 YYSNMRMSIPANNB-QGZVFWFLSA-N 442.435 2.166 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2cccc(N3CCOCC3)n2)cc1C(F)(F)F 478900584 KQKFSWMRYVBMIK-UHFFFAOYSA-N 426.420 2.287 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c(C#N)cn1CCOC 481380052 WCJMFQGXDAWJNK-KRWDZBQOSA-N 439.472 2.110 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)c1 484802695 BXFUKQSOXVNIMV-SFTDATJTSA-N 448.479 2.372 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N 489802759 LJLJUWBIOXAOIZ-UHFFFAOYSA-N 432.453 2.033 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)NCc2ccc(F)cc2)cc1 502425825 QDZXNIVWGVURST-SFHVURJKSA-N 441.488 2.037 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2ccnn2C)c1=O 505659031 HDXBILAZSJODTG-UHFFFAOYSA-N 432.427 2.068 30 10 IEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(CC(=O)OC)CC1 508955903 KZGXRSAZEYTJGU-UHFFFAOYSA-N 429.521 2.222 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc1 509500536 OVNJNPGMUQFCOB-SFHVURJKSA-N 442.541 2.345 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(O)c4ccccc4n3)CC2)cc1 518248615 SODWWCDCCNYWOV-UHFFFAOYSA-N 437.481 2.246 30 10 IEEE Cc1nc(C2(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CCCCCC2)no1 519095795 POXSMHRZBPYGPA-UHFFFAOYSA-N 431.518 2.468 30 10 IEEE CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)c1 524563257 HPILJGNBKHUVST-UHFFFAOYSA-N 431.539 2.492 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 535890504 BXRNKYZXFWTPOC-GUYCJALGSA-N 432.492 2.485 30 10 IEEE CS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1Cl 546222087 MHNHARVQCFEADE-UHFFFAOYSA-N 434.909 2.332 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 549706529 XYELHPQCUJDKIV-NRFANRHFSA-N 429.546 2.031 30 10 IEEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4COCCO4)n3Cc3cccs3)CC2)n1 559169055 OGJXGBIBCZEVHF-SFHVURJKSA-N 437.529 2.069 30 10 IEEE N#Cc1c(F)cc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1F 559316646 KJWWOWUHKDTCEN-HNNXBMFYSA-N 435.452 2.224 30 10 IEEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 570862172 PYRBKGPFVKKKTF-QGZVFWFLSA-N 439.907 2.833 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 570908832 AJTKYOJGYPXDLU-GJZGRUSLSA-N 430.530 2.495 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)C2)c(F)c1 574592471 ICQMJIYTIOWYHK-GOSISDBHSA-N 442.516 2.380 30 10 IEEE N#Cc1ccc(CS(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(F)c1 584547499 CNPYRABWZOUEJL-IRXDYDNUSA-N 429.473 2.036 30 10 IEEE COC(=O)[C@]1(NCCS(=O)(=O)c2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 611265988 GBHSMLCGIUVZKM-QHCPKHFHSA-N 441.553 2.129 30 10 IEEE C[C@H]1CN(c2ccc(NC(=O)CN3CCN(c4ncccc4C#N)CC3)cc2)C[C@H](C)O1 725795719 JQNHVANHPNLCFD-OALUTQOASA-N 434.544 2.328 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccoc2)c1=O 727416543 HBHIDACDVDRZOH-UHFFFAOYSA-N 426.469 2.454 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccc(C)cc1C 735069534 VOVOZNCIOSIWOJ-UHFFFAOYSA-N 449.580 2.152 30 10 IEEE COCCc1nnc(-c2cccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)o1 756920090 NAMVGAVAJXKISX-IAGOWNOFSA-N 441.488 2.414 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1OC 757103835 BOFOSYZPVYWVPQ-UHFFFAOYSA-N 426.535 2.260 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC23CCCC3)cn1 757924894 PKMHIQJAJFSMJN-SJORKVTESA-N 445.589 2.422 30 10 IEEE CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)[C@@H](C)C1 760753271 JISIMKPAQCERJL-AEKNLGIRSA-N 449.577 2.364 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772905020 SVLPHUPVZFJZTG-UHFFFAOYSA-N 433.599 2.329 30 10 IEEE CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 781019734 IPFNYWRHTMOMJJ-XJKSGUPXSA-N 431.493 2.339 30 10 IEEE O=C(C[C@H]1SC(=Nc2ccc3c(c2)OCCO3)N(CC[C@@H]2CCOC2)C1=O)NC1CC1 784125533 QWPJBVOTSXICIM-AUUYWEPGSA-N 445.541 2.485 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C#N)ccn2)c1 788846776 WYFOSNRFQIWFPF-UHFFFAOYSA-N 428.923 2.438 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 794319865 ZOJXMZJTLKYFFW-JTSKRJEESA-N 449.573 2.080 30 10 IEEE C=CCn1c(-c2ccoc2)nnc1N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800780311 QFRPBEZSRSQMLY-UHFFFAOYSA-N 428.518 2.422 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H]2CSC2(C)C)C1=O 802721315 SFGFDMQKEIIPJB-SJORKVTESA-N 445.614 2.452 30 10 IEEE N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)NCCN3CCc4ccccc43)C2)c(F)c1 805590565 WPRJQQHLIKTXSM-LJQANCHMSA-N 436.487 2.246 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 809917467 KWMGSAGXLYNBIU-ZWKOTPCHSA-N 448.568 2.125 30 10 IEEE C#CCN(C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)[C@@H]1CCS(=O)(=O)C1 815091351 SFGHRGQPJPEBOT-MRXNPFEDSA-N 435.933 2.347 30 10 IEEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cn1c(O)nc2ccccc2c1=O 916902136 DLVIZOMOHPGLBN-ZDUSSCGKSA-N 440.843 2.420 30 10 IEEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)c1 1084591222 KABSDYXRFMXKJK-UHFFFAOYSA-N 444.473 2.410 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)c1 1162867037 LEPISAFLSZUETL-OAHLLOKOSA-N 428.514 2.172 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2cccc(C#N)c2Cl)CC1 1208912585 LVTLGWGZHUJRIR-UHFFFAOYSA-N 432.933 2.359 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1286298833 PRCFUHKSZGKNSF-RCCFBDPRSA-N 433.553 2.266 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCN(CC)CC1 1286363106 NQSCLVPJLKCLQN-INIZCTEOSA-N 448.413 2.379 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286384988 KZEZPQWBFXMDKG-QZTJIDSGSA-N 435.638 2.323 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286443461 HOBPYAHWFHRASV-SJORKVTESA-N 442.564 2.478 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ncnn2C(C)(C)C)CC1 1286473741 SKQPIESAWKSOFQ-UHFFFAOYSA-N 434.548 2.104 30 10 IEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)CC)CC1 1286646666 ULVYKXPKQIZQPT-QGZVFWFLSA-N 448.568 2.221 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1C(F)(F)C12CCC2 1288808706 YRLPIJRXTYITRV-TZMCWYRMSA-N 428.509 2.064 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC[C@@H]1CC 1292132836 DBOKYRJNHDULGC-OALUTQOASA-N 431.585 2.190 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)s1 1295095546 UHYCXFJNCYCDIE-PXNSSMCTSA-N 437.562 2.456 30 10 IEEE CC(C)c1nc([C@H](CO)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cs1 1300078124 DSZOPPDTLYOWCC-CVEARBPZSA-N 441.513 2.193 30 10 IEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1300422271 JILGUFDFYXTXNV-UHFFFAOYSA-N 431.924 2.219 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)cc2OC)CC1 1300685131 HCSHWXYSGNEVSB-XMMPIXPASA-N 439.560 2.051 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(CN(C)C)c2)CC1 1300704022 ZDEXTPYHBKSSIB-UHFFFAOYSA-N 429.572 2.129 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CC(F)C1 1300744863 BPEFKAJLYFZUHG-UHFFFAOYSA-N 426.525 2.472 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301150982 FTBPDGUXQWJUII-CEWLAPEOSA-N 444.624 2.373 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1301981569 MBWKJYZYAUALPF-ZHALLVOQSA-N 425.537 2.394 30 10 IEEE CSc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 1303626212 WFGPBEMCNOUPSH-MJGOQNOKSA-N 427.501 2.240 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1303639420 FCABJTOXJMVSLE-RHSMWYFYSA-N 431.518 2.106 30 10 IEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O)NC(=O)OC(C)(C)C 1303647422 WMLNXHOQKOACJD-HUUCEWRRSA-N 441.536 2.430 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC[C@@H]1OC 1305466861 MNUUIUPTGFEREV-DOXZYTNZSA-N 426.521 2.378 30 10 IEEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1308113916 IRBUMLYDWNQKCB-CJFMBICVSA-N 448.567 2.469 30 10 IEEE C=CCCn1cc(CNC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)nn1 1308383339 XDEYKNPZFWLYRI-INIZCTEOSA-N 432.491 2.427 30 10 IEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1313721158 HICNDCXVAXVJOD-QGZVFWFLSA-N 425.537 2.435 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC1 1316103379 HTLWVGWKYZZVQP-OKZBNKHCSA-N 448.568 2.452 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1316532816 WGVDAIKPAXAUMB-BFUOFWGJSA-N 439.463 2.024 30 10 IEEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nn1 1349042447 PURZSHHUJDKQBY-UHFFFAOYSA-N 444.344 2.308 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)N(C)C 1358953487 YZBKEZZQKZCWMX-UHFFFAOYSA-N 446.360 2.125 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959465 JIAAQMQCXKYSMG-LRXVAGHRSA-N 428.558 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cnnn1C 1358989468 CRHXKGZWQOEQMN-UHFFFAOYSA-N 433.516 2.382 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@@H]2C)n1 1359027998 CVNIAMHDTHYDGM-BJLQDIEVSA-N 439.564 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359104609 DHXYZQFNBGPAJP-AAUAJYIVSA-N 447.580 2.002 30 10 IEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](COC)C1 1359213678 CLZVGFHFALOQMN-INIZCTEOSA-N 434.566 2.056 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC=CCC1 1360470122 LOASARBGNPUASQ-QGZVFWFLSA-N 428.562 2.349 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1360482585 GZJHKDHFJCOMOZ-GVDBMIGSSA-N 432.569 2.217 30 10 IEEE N#C[C@@H]1CN(C(=O)c2c(Br)nc3n2CCOC3)CCN1Cc1ccccc1 1443893173 IUUSOMKNKZPDOJ-OAHLLOKOSA-N 430.306 2.026 30 10 IEEE Cc1ccc(Cn2nc(C)c(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C)cc1 1456614128 QNNZRASHVIIIEY-NZQKXSOJSA-N 440.569 2.186 30 10 IEEE C#CC1(O)CN(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 1456806385 BHEMLRJIHKELRX-UHFFFAOYSA-N 427.545 2.143 30 10 IEEE N#C[C@]12CN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1463162842 HGNUWSIOODDNTG-SMDDNHRTSA-N 437.237 2.478 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)s1 1470694674 KDRPDTZLXDBDBY-ROUUACIJSA-N 431.583 2.240 30 10 IEEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1=O 1471079576 UVDHWDKARLJBNC-GAJHUEQPSA-N 426.517 2.046 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccsc2)n1CCCNS(C)(=O)=O 1503464035 KRCSFBCTIXDBTF-UHFFFAOYSA-N 444.586 2.378 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)(F)F 1503475972 AOOITDYZJWEFER-UHFFFAOYSA-N 443.433 2.450 30 10 IEEE COc1cc(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1504083557 DWZRQJRTVAJKQM-FQEVSTJZSA-N 435.532 2.428 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)C1 1505126458 DKMLNZMVWMYWCZ-ZHALLVOQSA-N 447.536 2.490 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1oc(CCC)nc1C 1507644563 KHEJKDRTRQXSPK-UHFFFAOYSA-N 441.499 2.291 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccc1F 1507659924 IPISRQQTMQOJTQ-KRWDZBQOSA-N 445.564 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccn(-c2ccc(F)cc2)n1 1507666742 GAHAJOBUSMDUQO-OAQYLSRUSA-N 445.502 2.260 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508072824 KSSMYQUKQGUSTK-UHFFFAOYSA-N 442.951 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1508079844 DVQXMVPOLYAFEC-RTBURBONSA-N 448.575 2.352 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1509061262 LKBFBDATRPCHMS-WFJJUKAGSA-N 428.537 2.181 30 10 IEEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)n(C)n1 1511662833 AQIJNYOMHVXKJY-UHFFFAOYSA-N 438.561 2.490 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC(F)(F)F 1516586248 ORGFNRDGFRXFFX-UHFFFAOYSA-N 439.442 2.334 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)CC1 1516760750 YZNRVYYDXLMODA-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE COC[C@@H](F)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C#N 1518743451 CRAQYERWPKUELI-ZFWWWQNUSA-N 437.545 2.127 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(C)c1 1519161103 GWWXIHCQCZLWFR-UHFFFAOYSA-N 436.520 2.296 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCCCCO)CC2)nc1 1521094233 CEPYRZXRDCCANU-IBGZPJMESA-N 425.537 2.276 30 10 IEEE COC(=O)c1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(F)c1 1533859169 NDFFLCXAGYRSAF-GOSISDBHSA-N 438.415 2.005 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1539117982 YVVLDBCVYQVQBY-SFHVURJKSA-N 426.496 2.117 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539212641 WRYSBVAEOOOJCF-HXUWFJFHSA-N 428.558 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539241649 HBGLYRQCGJBTCA-GOSISDBHSA-N 431.949 2.095 30 10 IEEE C#CCN(CC#CC)c1nnc(CC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1539325659 KXNJMXCQAGYXNJ-UHFFFAOYSA-N 427.574 2.238 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1539669864 VOQNHIRJMKCEQX-INIZCTEOSA-N 429.562 2.296 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CO)CC1 1540865658 OARRCAMFDSPTFQ-UHFFFAOYSA-N 440.367 2.280 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CCCC4)n3CCOCC(F)F)CC2)c1C#N 1543001988 JONQCBQAEYHDBX-UHFFFAOYSA-N 448.522 2.458 30 10 IEEE N#Cc1cccc([C@@H]2CN(c3nnc(Cc4ccccn4)n3CCOCCCO)CCO2)c1 1555987560 JEJPOESWSRLAPY-QFIPXVFZSA-N 448.527 2.112 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)c2ncccc2C1 1558062698 OCNOQZUYZSXTFX-SFHVURJKSA-N 441.557 2.013 30 10 IEEE COCCN(C(=O)OC(C)(C)C)C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1559970112 CCYDFPMFTQBYOH-LJQANCHMSA-N 425.570 2.406 30 10 IEEE COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CC2=O)cc1 1565047225 CTWXJJXNKXPYDM-QGZVFWFLSA-N 437.475 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COCc1ccccc1 1587640100 OQTZUZHAJKCDEB-HBFSDRIKSA-N 430.574 2.491 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCOCC2)CC1 1588898965 JDCMQIUDNFNBIZ-UHFFFAOYSA-N 437.544 2.346 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1589495876 UMOTYFPDTNWWCJ-FPOVZHCZSA-N 445.589 2.387 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1CCOC1 1595489833 JJPKRXKVMOBUGE-ZDUSSCGKSA-N 438.301 2.374 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 1595755271 URZYQBJQFFVCND-OKZBNKHCSA-N 432.496 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CC(C)C)C1 1595760589 QOQZHKORDTYQCM-KRWDZBQOSA-N 446.577 2.399 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)s1 1596174375 RWBXDAWXYSNXDB-CQSZACIVSA-N 443.591 2.271 30 10 IEEE Cc1ccc(N(C)c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1612095987 WFJIQVZELDALDH-DQRAZIAOSA-N 449.515 2.003 30 10 IEEE Cc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1612575147 RPFKWIXCNBWPJZ-QPRFMQLZSA-N 425.320 2.133 30 10 IEEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N1CCC[C@@H](C)C1 1612780557 BOQVHBXKLQZVFH-AOIWGVFYSA-N 434.610 2.041 30 10 IEEE CCOCc1nnc(N2CCC[C@@H]2c2ccco2)n1CCN/C(O)=C1/N=CC=CC1=O 1616869807 JLJDDWXWBBUIJD-MVZUJROASA-N 426.477 2.276 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)s1 1618704844 CZNBEHLJHADWNH-KDURUIRLSA-N 445.610 2.345 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1620348931 BWCVFLSFPJOCMK-MRXNPFEDSA-N 447.465 2.027 30 10 IEEE CS(C)(=O)=Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1625121000 BIUBNTBMWTVXCW-UHFFFAOYSA-N 446.554 2.064 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC(=O)Nc3cccnc3)C2)C1 1626241460 QSVUVNUVWSNZMQ-JXORXQGFSA-N 427.505 2.313 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cc(Br)ccc1OCC)c1cc[nH]n1 1627911935 OTQJMJZZAHSEFN-UHFFFAOYSA-N 439.266 2.493 30 10 IEEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1628728972 CYTRHDGTWAVYHV-JOCHJYFZSA-N 425.554 2.248 30 10 IEEE CSCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)N(C)C 1629025383 LOWNUROWAWYRPY-WZHMAMEKSA-N 438.594 2.099 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 1629935496 HWBSZBNGSBGCPD-CYBMUJFWSA-N 433.933 2.432 30 10 IEEE N#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CC1 1635905555 CSRMLADVTPXRLI-UHFFFAOYSA-N 444.582 2.167 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1 1640073692 FIDXSPQJYODBHC-HNNXBMFYSA-N 437.547 2.311 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)CC(=O)N2CCCCCC2)s1 1640249539 IDVCOGQEYAMQKT-UHFFFAOYSA-N 427.592 2.006 30 10 IEEE CCOC(=O)CON=C(C(=O)NCc1c(Cl)cccc1OC(F)F)c1cc[nH]n1 1642816722 ORSVLNCNBUBOHE-UHFFFAOYSA-N 430.795 2.265 30 10 IEEE CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 1643072155 PDJJPCUMHYAVHL-UHFFFAOYSA-N 427.461 2.493 30 10 IEEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1648613023 OTFJOKSQQLCXJV-ZQHDKMAOSA-N 443.614 2.387 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]2CCNC(=O)[C@H]21 1650930725 GBUCSAWHGGXOEC-DYVFJYSZSA-N 436.306 2.225 30 10 IEEE N#Cc1cc(Br)cnc1N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1651497825 GQOMCHABVJFEPE-INIZCTEOSA-N 444.337 2.423 30 10 IEEE COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)cc1 1653073007 QJYMVCGNRPVXEG-VBKZILBWSA-N 445.522 2.019 30 10 IEEE COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC[C@H](O)CC1(C#N)CCOCC1 1660042447 MPPHBMBFVHFDOO-NVXWUHKLSA-N 430.423 2.330 30 10 IEEE CCOC(=O)c1c(NC(=O)NCCc2ccc(OC)c(O)c2)c(C#N)cn1CCOC 1676108399 CAHXEXOXUWWMQV-UHFFFAOYSA-N 430.461 2.261 30 10 IEEE C=C[C@@H](C)ONC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1682405567 ZTVOOOKIZVGZEB-LLVKDONJSA-N 438.369 2.423 30 10 IEEE C#CCCN(CCOC)C(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1686542851 IVYBUGGLZLJNRO-GOSISDBHSA-N 435.590 2.297 30 10 IEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1689885922 ZNKOHWUFRZLRNV-AEFFLSMTSA-N 430.578 2.249 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1689961064 JYDJKBDKVZYSDG-IRXDYDNUSA-N 435.532 2.163 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1689985746 ASQLKHZZIUVOIR-GOSISDBHSA-N 425.514 2.225 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1690169786 OJVRTJULKUYZDZ-KRWDZBQOSA-N 429.594 2.178 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)CC1 1690509785 IJLWALMMLQCNEE-UHFFFAOYSA-N 442.593 2.287 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1690622532 RLCULXSWXLQOGG-GOSISDBHSA-N 434.562 2.184 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1693350267 CLDUPTDZVFZVLK-UNQMGURYSA-N 427.534 2.006 30 10 IEEE CCOCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696438598 HPBOZOCGAKBIQM-SFHVURJKSA-N 426.521 2.079 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NC(C)C)cc(OC)c1OC 1697246000 HAORMCVLKMTVRI-CQSZACIVSA-N 430.509 2.091 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)CC1 1698165889 DWZIJBADKJKJRZ-QGZVFWFLSA-N 425.537 2.395 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1698193011 RGIUSPANKWCCLL-NHCUHLMSSA-N 441.532 2.254 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)c1ccccc1 1698253576 AEMWZPKLSAXYEU-JYRKZWEQSA-N 440.548 2.256 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C2CC2)CC1 1705522938 PAIIQBWTHIHUTA-PMACEKPBSA-N 429.565 2.254 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@@H](C)C1 1705582526 CQELOHONVWZNEF-OAQYLSRUSA-N 446.603 2.257 30 10 IEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1705611845 QXFYZWHWSXIIHV-UHFFFAOYSA-N 434.500 2.215 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC(C)C)CC1 1705700531 UZFKNAGCTVFTDN-TZIWHRDSSA-N 441.580 2.263 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CCS(=O)(=O)N1CCSCC1 1705862835 XFELDSUOPFBQED-UHFFFAOYSA-N 439.582 2.297 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1710267807 BNSUZGXLFVHCBR-KNQAVFIVSA-N 437.592 2.316 30 10 IEEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@@]1(O)CCOC1 1710708307 JRRZGVLPRXLVSG-REWPJTCUSA-N 425.533 2.297 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1711287860 OHXBEJPSDRJSMS-SFHVURJKSA-N 432.532 2.316 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1722309125 VTTPSQLQNXTDHC-NSHGMRRFSA-N 448.637 2.145 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(Br)cn1 1722342417 PIXTZYAJZGVEDJ-UHFFFAOYSA-N 443.309 2.044 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1722344276 VMNJAPLWVDQXRZ-UHFFFAOYSA-N 432.322 2.059 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CCCC1 1722382823 FNVIJYPTJIPNQQ-UHFFFAOYSA-N 428.533 2.438 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC[C@@H]2CCCCO2)CC1 1722433484 WXXYIOZWJXOVHU-NZQKXSOJSA-N 431.581 2.035 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1722436039 ZMZUQANZJDSQKB-UHFFFAOYSA-N 443.555 2.040 30 10 IEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722464883 AHSSMJYBBMIRQE-LJQANCHMSA-N 448.614 2.464 30 10 IEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1722604804 LENKYCYTTCMEFV-DLBZAZTESA-N 448.568 2.254 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H]1CC 1722693698 XUKMIRNRRNBVFK-MAUKXSAKSA-N 431.562 2.276 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1722720160 HLNVAYADQMKBOB-MEKIYTOJSA-N 442.560 2.393 30 10 IEEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1722871928 HFXZMDLBPLFZSA-AWEZNQCLSA-N 447.465 2.168 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722997197 XARRRBFGKOUPGJ-QGZVFWFLSA-N 440.552 2.365 30 10 IEEE CCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1728564332 KYOQPYXROYQESG-GOSISDBHSA-N 430.578 2.029 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740574570 MBSZXGQKZNVGPJ-ZWKOTPCHSA-N 446.577 2.134 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCc2ccccc21 1740642415 WIRKHGGLBCJNRC-DEOSSOPVSA-N 445.548 2.176 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1740671761 NZHRNUHZLNHVAN-YWZLYKJASA-N 434.587 2.189 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1740706810 DUHICVRYNQTLOY-RBUKOAKNSA-N 436.560 2.045 30 10 IEEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1740742741 AEIFALLGABKJFW-MRXNPFEDSA-N 445.321 2.286 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(CCOC)no1 1740743772 DUFPTDMWODCSON-ZDUSSCGKSA-N 441.330 2.289 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740794667 FYSQLYWQOSQQET-GOSISDBHSA-N 434.585 2.395 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCCC)CC1 1740837129 HNMXLXCDWFLKQK-UHFFFAOYSA-N 435.532 2.121 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740874765 HJGWRXOUNRRALU-SFHVURJKSA-N 449.559 2.463 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740957347 KTSHIUQZUQKIGO-UHFFFAOYSA-N 436.476 2.361 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1741002522 JLLVPSIQNPHSRG-QAPCUYQASA-N 429.546 2.377 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)C[C@H]1C 1746453459 AXVZUIXRRHNTDI-LJQANCHMSA-N 434.548 2.464 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1746460161 HTDZFBFPHAHUIZ-FPOVZHCZSA-N 437.592 2.256 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1748751751 LKPGHTCSIWLNAI-LJQANCHMSA-N 445.564 2.055 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748802109 LDNPGFSNMVMOKY-NQIIRXRSSA-N 434.537 2.075 30 10 IEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748819643 QXXDPJUMZBXRRW-LJQANCHMSA-N 427.574 2.471 30 10 IEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 1749241869 VBKSNBMAXMUUIC-HOTGVXAUSA-N 448.486 2.488 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749652364 MGMFFWHOLUFHDT-SFTDATJTSA-N 433.560 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)CC1 1749660439 PFJKXMWHOCJWEX-UHFFFAOYSA-N 445.589 2.241 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1749663385 CJHXKAILYXEUTL-LJQANCHMSA-N 435.532 2.294 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C1CCC2(CC1)OCCO2 1749729457 KCSFMQQQHBIWQG-UHFFFAOYSA-N 449.577 2.006 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)CC1 1749846619 RIHDHQLDFKZIPQ-UHFFFAOYSA-N 444.293 2.217 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CCOCC(F)F)c1 1750381651 ZQSLHZFYNZCMIT-QGZVFWFLSA-N 445.474 2.139 30 10 IEEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1751363566 FGLYLPFCLLAHAW-UONOGXRCSA-N 445.574 2.283 30 10 IEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760150179 LFNJOVDWTJKKTM-QGZVFWFLSA-N 432.546 2.389 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760182014 AMHDNXCDVYXNMV-GOSISDBHSA-N 444.948 2.007 30 10 IEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760346025 DTUZIVYQDMGIEI-LJQANCHMSA-N 432.594 2.486 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)CC1 1760397609 YKTFCYGHTOCKSL-AWEZNQCLSA-N 433.534 2.068 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCc2oncc2C1 1760550947 OOUMVMINLVBUHF-UHFFFAOYSA-N 429.502 2.105 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1762178699 KYYDYIHNIAZMPB-UHFFFAOYSA-N 436.516 2.134 30 10 IEEE CCCOc1ccc(Cn2c(CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 1764610643 AXVFQIDWVSVYOO-UHFFFAOYSA-N 449.563 2.313 30 10 IEEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(F)c1 1766885794 DWYBZOURKRTSOZ-XMSQKQJNSA-N 443.502 2.398 30 10 IEEE COC[C@@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1769210815 DHUVOYOQCKXKJN-HNNXBMFYSA-N 431.566 2.261 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1770504700 DZRUPKOMZVCIHX-VGSWGCGISA-N 444.511 2.028 30 10 IEEE O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)ON1C(=O)c2ccccc2C1=O 1772786125 PPIAFPBPJAAKND-UHFFFAOYSA-N 429.237 2.026 30 10 IEEE O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)ON1C(=O)c2ccccc2C1=O 1772789818 MDARWAOAJKLTJF-UHFFFAOYSA-N 434.495 2.220 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCCO1 1772887248 DDFKGEUORXUWNV-IBGZPJMESA-N 446.577 2.151 30 10 IEEE N#CCC(=O)O[C@@H](CN1CCCC1=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 1851542569 VYRXIDOEPSCSNS-ZDUSSCGKSA-N 433.313 2.356 30 10 IEEE N#Cc1ccc(CN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c2cnccn2)cc1 1851774520 OLWRRJQPRZWELT-GOSISDBHSA-N 425.514 2.086 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O 1852195020 LGVYURAHGAOKIO-UHFFFAOYSA-N 432.937 2.139 30 10 IEEE Cn1ccnc(N2CCC[C@@H](N(Cc3ccc(F)nc3)C(=O)c3ccc(C#N)cc3)C2)c1=O 1853515777 JOFUMKQHUOMZMH-HXUWFJFHSA-N 446.486 2.497 30 10 IEEE C=CCN1C[C@H](C(=O)N2CCN(Cc3csc(C)n3)C3(CCCCC3)C2=O)CC1=O 1854107472 RMGXKXNZKDCPFV-QGZVFWFLSA-N 430.574 2.360 30 10 IEEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cc1 1854626508 JFZQNHKPXHSEOX-HNNXBMFYSA-N 427.482 2.019 30 10 IEEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1856510286 RSTKLHXDVIGAKC-ROUUACIJSA-N 430.574 2.223 30 10 IEEE CCCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCc3ccc(C#N)cc3)C(=O)O2)CC1 1856603578 OICYZUKYIPIVLT-IBGZPJMESA-N 433.530 2.290 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H](F)CC3CC4(CCC4)C3)C2)CC1 1857043268 NBVZTRWUIKHNKS-QZTJIDSGSA-N 439.553 2.235 30 10 IEEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1OC 1862631306 AOCGHKXZVMNRFC-HXUWFJFHSA-N 441.436 2.393 30 10 IEEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CSCCO 1870177154 ZJTPFIGWDIFSNP-UHFFFAOYSA-N 432.542 2.006 30 10 IEEE CN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccn2)CC1 1870350020 MRAQKNBKKIGERE-UHFFFAOYSA-N 429.524 2.490 30 10 IEEE C=CCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871689312 AHSCFKWEJZYDPN-UHFFFAOYSA-N 433.520 2.069 30 10 IEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccccn2)o1 1874433743 WCDXQIRSQHFHHT-LSHDLFTRSA-N 428.474 2.253 30 10 IEEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874448919 OQIVCDPBHJMKHA-NPNVKNKFSA-N 436.490 2.303 30 10 IEEE N#Cc1cccnc1OC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1891846616 MKHXOIFZHFTYLW-INIZCTEOSA-N 434.452 2.105 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900474187 CGJVKMSCTMNVTL-RYUDHWBXSA-N 425.360 2.474 30 10 IEEE C=C(CS(=O)(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1904321317 HVVYKQQYUWHPKB-LJQANCHMSA-N 430.376 2.493 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4C(=O)C[C@]3(C)[C@]2(C(=O)CO)O1 2080358554 OHJDQDXOWURJBR-XCJYIRAQSA-N 432.488 2.483 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2085301296 IBCCXQYXEPAWPA-CABCVRRESA-N 439.362 2.230 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124537570 ZSIAPACTLINWTD-FPTDNZKUSA-N 444.341 2.361 30 10 IEEE CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccccc1Br 2227477174 PZZLIZAGZLPPKA-APWZRJJASA-N 427.339 2.420 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243381701 LWTITMNPJCUNIB-MMEWPQADSA-N 426.344 2.255 30 10 IEEE Cc1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247835106 GHMFMQMIIDVECD-CYBMUJFWSA-N 437.371 2.490 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248405303 SOADDEZBCVMOGE-OAHLLOKOSA-N 440.733 2.463 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617054 AVAAOSNXXUKDMY-CQSZACIVSA-N 434.346 2.228 30 10 IEEE CC[C@H](CNC(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255636600 WLLGTLKORFJMJT-CQSZACIVSA-N 436.362 2.235 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C 2255700379 BOIIDIUTXOCBEY-UHFFFAOYSA-N 443.300 2.214 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255817823 BNYRZXXSPOLLOI-WCQYABFASA-N 430.232 2.250 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 2255818950 SRTVJHVNXDBBAQ-LJQANCHMSA-N 425.338 2.133 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827935 ABNLSYBGCTYFFI-KBPBESRZSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2258955866 AVHDXYNIWOCGGM-IXDOHACOSA-N 434.342 2.294 30 10 IEEE Cc1ccc(CNC(=O)C#CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264095004 XZRWXYPUCVNKKQ-UHFFFAOYSA-N 428.338 2.439 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267096368 JGQVGNUREHINBJ-JLCFBVMHSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CCC2)C1 2267146831 MYYDIWXIJXZJFI-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CCN(Cc2ccccc2)CC1 2267495046 XENDKKOSYCDPBN-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CCC2)n1 2267504845 YQKRDAJUZMNDEZ-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE Cc1c(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267507507 PJSOTHMQEDKZSM-KOSHJBKYSA-N 436.365 2.032 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2267524877 WMAZNPIQCAXPFZ-CQSZACIVSA-N 446.357 2.371 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268609135 KDPLGJPMMKCZPC-JKSUJKDBSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268701513 QMRBUQCHXGBQNY-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268785698 LFJROEVVCNRUIP-QFIPXVFZSA-N 447.341 2.081 30 10 IEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CSCCS1 2282829186 AVWGYJBFXWHGNY-GFCCVEGCSA-N 435.467 2.483 30 10 IEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2296296289 MEKFAWNSVOMQHP-PXNSSMCTSA-N 439.350 2.387 30 10 IEEE COc1ccccc1[C@@H]1C(=C(O)c2ccco2)C(=O)C(=O)N1CCCN1CCOCC1 2296925434 DTFNFPKFMPJLJM-HXUWFJFHSA-N 426.469 2.432 30 10 IEEE CC#CCN(CC(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300544699 MXUNABGJJNNDPF-JOCHJYFZSA-N 439.553 2.125 30 10 IEEE CCn1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2319263249 DRZDUSVMZPUAMG-OAHLLOKOSA-N 427.310 2.318 30 10 IEEE CCOc1c(OC)cc(C=NNS(=O)(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 2323374853 QUCOVLIKGDZIHA-UHFFFAOYSA-N 439.446 2.332 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2c[nH]c3ccccc23)CC1=O 2327842471 FILGWVFAKYLAPL-ZDUSSCGKSA-N 439.545 2.333 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]1C2 2334258189 RXTXZARGCSDGFT-ZCCHDVMBSA-N 448.325 2.133 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N2CC[C@H]1C2 2342884312 POKJUXKAQITMHX-ROUUACIJSA-N 444.385 2.486 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2366835336 LDIVPUWZOHLMAL-DOMZBBRYSA-N 439.306 2.478 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 15759997 GYBAPXHSZIHSNH-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc1 20292942 VXRQYYXHSPQRSR-FSJBWODESA-N 425.518 2.163 30 10 IEEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1 102715722 LZATXVLIHHAUMT-VFJWVMJUSA-N 449.507 2.400 30 10 IEEE CCCN(CCC)C(=O)CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 111089202 OUIKGHMJAVPKTP-UHFFFAOYSA-N 448.589 2.210 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 431241604 DSEPGHJCKNDIPR-NYHFZMIOSA-N 444.509 2.324 30 10 IEEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)nn2)cc1 447223812 SWJUZQOFPLNAFB-UHFFFAOYSA-N 442.382 2.004 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(C)C 447779321 MOJFEQHVSRJBJS-UHFFFAOYSA-N 449.580 2.171 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 466110304 YSUQLFUEKWNEEN-UHFFFAOYSA-N 446.504 2.182 30 10 IEEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCN(CC(F)(F)F)CC1 470944611 HAXSDSYNNPSPCX-CQSZACIVSA-N 446.495 2.271 30 10 IEEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1C#N 489101519 DDAOXYZTTKMKMP-UHFFFAOYSA-N 438.431 2.427 30 10 IEEE Cc1ncc(S(=O)(=O)NCCCNC(=O)c2cccc(Br)c2)cc1C#N 489271185 YSAXQBSFDIGMEZ-UHFFFAOYSA-N 437.319 2.123 30 10 IEEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 493506771 MRDTZIVGQQWDBW-QFIPXVFZSA-N 448.523 2.031 30 10 IEEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](C)Oc3ccccc3C#N)c2)CC1 502740717 VIRCDMZBCRQIPW-KRWDZBQOSA-N 442.541 2.290 30 10 IEEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 506946158 RHPROOJYNOEWSH-LBPRGKRZSA-N 432.424 2.299 30 10 IEEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 508840709 MHXJEEYTGXFWIQ-UHFFFAOYSA-N 442.527 2.408 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(C(=O)N(C)C)CC1 516385797 CFYQABQEHUPCRU-UHFFFAOYSA-N 438.322 2.425 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)ccc1Cl 520833962 PAWKJPBABSVILP-KRWDZBQOSA-N 446.960 2.387 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 523651973 DMYRVJBCNZLIPJ-CQSZACIVSA-N 430.476 2.239 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 524516952 UMAJEIREWIAVDT-GOSISDBHSA-N 432.565 2.420 30 10 IEEE C=CCNC(=O)NC(=O)[C@H](C)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 539737080 KXPGAWGJUWNCIS-AWEZNQCLSA-N 429.439 2.355 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)cc2)nc1 546158257 WWPGIBNIXNCECA-UHFFFAOYSA-N 440.525 2.081 30 10 IEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 549265638 HKCYOGSEHPDSME-QGZVFWFLSA-N 445.545 2.254 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)c1 549495782 DLLMZMJBGFYNMG-LEWJYISDSA-N 439.516 2.464 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 549599418 XGQGBVYIMVNILX-KRWDZBQOSA-N 441.504 2.102 30 10 IEEE CCOC(=O)C1(COC)CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553518559 ICQLOKBBIFKRMC-UHFFFAOYSA-N 445.335 2.301 30 10 IEEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)C2)c(F)c1 553572935 SZKCJBRQOIRDJB-RBUKOAKNSA-N 436.487 2.320 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(CC(C)C)cc2)c(=O)n1Cc1ccccc1 576459212 HHYNJCGNZKFWDS-UHFFFAOYSA-N 431.561 2.406 30 10 IEEE Cc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824645 WICIKCZUGGKDLA-VVZXQVGQSA-N 431.492 2.110 30 10 IEEE N#Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](S(=O)(=O)Nc4ccccc4)C3)C2=O)cc1 611613338 QCDAJZKAORIMTM-PMACEKPBSA-N 438.509 2.096 30 10 IEEE C#CCN(C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)[C@@H]1CCS(=O)(=O)C1 729332782 XPSCDHMAFWZKTF-HXUWFJFHSA-N 437.521 2.484 30 10 IEEE N#C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(Br)cc1 733254634 ZPRWOWIVZVBPLK-IAGOWNOFSA-N 426.274 2.250 30 10 IEEE COc1ccc(-c2noc(CCC(=O)NS(=O)(=O)c3cc(C#N)ccc3C)n2)cc1 734291640 XXOBMUWDQAWUER-UHFFFAOYSA-N 426.454 2.363 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 735342935 HPLBFVGYYFFQQU-UHFFFAOYSA-N 440.861 2.213 30 10 IEEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735969152 FKXYXOJDPSWSKP-MRXNPFEDSA-N 438.937 2.167 30 10 IEEE COc1ccc(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cc1C#N 747064831 QUUGUHHAIVACLB-UHFFFAOYSA-N 428.495 2.108 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)ncn2)c1 756868874 RBYNPNITZKVUEF-LJQANCHMSA-N 440.573 2.293 30 10 IEEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)CC2 758503794 LJLMCPFVMUQDOD-LBPRGKRZSA-N 438.431 2.427 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccco3)ccc2c1=O 769355367 PUFNCWBQSYAXBW-MAUKXSAKSA-N 441.509 2.429 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCCOc2cccc(C#N)c2)C1=O 771443357 YFOQXBFAUBYEIU-QHCPKHFHSA-N 437.452 2.265 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CC(C)C 772897380 GIQMADCSGZLPLP-UHFFFAOYSA-N 430.599 2.026 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 774029221 MCBULOZBUXVNCS-HNNXBMFYSA-N 425.938 2.380 30 10 IEEE COC(=O)c1ccc([C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C(F)(F)F)cc1 775217716 XZABJZNZTUABRU-IBOXJLQUSA-N 425.363 2.109 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2 780177191 LBJKULQXNNFRHL-QHCPKHFHSA-N 446.500 2.393 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CCN3CCOCC3)cc2)n1 788581472 WNSISGCJCURFSF-UHFFFAOYSA-N 425.533 2.072 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 789742789 YHZMXRFRRXZTFH-FQEVSTJZSA-N 446.569 2.285 30 10 IEEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1)C(C)C 790737078 XYOZSZUSBNVUKZ-JKSUJKDBSA-N 426.608 2.419 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(Cc3nc(COC)no3)CC2)CCCN1C(=O)OC(C)(C)C 790950184 WJUXOQKPJBKEAR-QFIPXVFZSA-N 449.552 2.206 30 10 IEEE C#CCCOc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 792738527 GGERKAXWGLGBSW-OAQYLSRUSA-N 435.572 2.025 30 10 IEEE CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793466913 CFBJKNGSGUOABF-UHFFFAOYSA-N 434.521 2.123 30 10 IEEE Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 798750418 SQIJSGBOQIFSOI-AVRDEDQJSA-N 435.484 2.457 30 10 IEEE CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802013825 BONJPOZUHXKMPX-UHFFFAOYSA-N 446.515 2.318 30 10 IEEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@@H](C)Oc1ccccc1C#N 804879153 BXKXSDNZPGBYKC-NVXWUHKLSA-N 431.489 2.337 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cnn(C)n2)C1=O 807934107 GSEVHLINVLCCJG-ZDUSSCGKSA-N 427.317 2.390 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2c3c(nn2C)CCCC3)C1=O 812221304 JDZHIZJCCWIJQX-LJQANCHMSA-N 436.541 2.438 30 10 IEEE COc1cc(CNC(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 812543072 OACMJZBQEXXIHC-UHFFFAOYSA-N 431.537 2.261 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 917767896 FJSCWALYANSMLL-INIZCTEOSA-N 442.585 2.159 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)n(C)cc2Br)cc1 1125087654 OCSPFYYQKVUVOA-UHFFFAOYSA-N 440.319 2.207 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2nc3n(c2C#N)CCS3)N(C(=O)OCc2ccccc2)C1 1126012423 DYLKKLPOGYZRGN-HUUCEWRRSA-N 427.486 2.225 30 10 IEEE CCN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 1136395288 GRHXBSDWCPQNEN-ZDUSSCGKSA-N 448.932 2.199 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OCC)Cc3ccccc3C2)c1 1136537811 YJIUOPYMKMLPJT-UHFFFAOYSA-N 425.506 2.314 30 10 IEEE CCc1nn(C)c(OC)c1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1152664516 SIARXZPWMSWSIV-HVPFBLEYSA-N 431.537 2.394 30 10 IEEE N#Cc1cc(CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)ccn1 1156662060 VFCZOTYSQJZFNJ-UHFFFAOYSA-N 426.274 2.103 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1160127442 QHEOUMKRDFJOBZ-RRFJBIMHSA-N 447.960 2.366 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1 1163431431 NEOPNIXXCKIAEX-FCHUYYIVSA-N 426.538 2.458 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C1 1165411447 AQTZYONCBLVHLO-QGZVFWFLSA-N 426.517 2.151 30 10 IEEE C#CCN1CCC(NC(=O)Nc2c(C(=O)OCC)nc3c(Br)cccn23)CC1 1220062855 LITVRLDHDPZQJV-UHFFFAOYSA-N 448.321 2.493 30 10 IEEE C#C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 1225849199 YOSOSZRHBGUJLY-QZTJIDSGSA-N 435.366 2.365 30 10 IEEE N#Cc1cccc2c1CCCN2C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1278351866 MKFVADFLTVATPC-UHFFFAOYSA-N 431.539 2.163 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1286401999 WQSVHLBTANLZFN-XMMPIXPASA-N 445.527 2.021 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1286466114 CSSPCWLAOHEGKN-UHFFFAOYSA-N 432.528 2.100 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(F)ccc2F)CC1 1286472598 JSZAGUROVLSMIR-QFIPXVFZSA-N 431.487 2.012 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1286492201 DQWFEBIJAKPJPR-RTBURBONSA-N 431.581 2.199 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286499515 IKCNPVNXLUDOPK-SFHVURJKSA-N 449.378 2.119 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286633043 OYYJERXALPHMGR-XOBRGWDASA-N 436.944 2.256 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1286700188 KTKBIHXZEFWTFP-IBGZPJMESA-N 427.505 2.228 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1286713882 JSVDOJALOXSPCC-LBPRGKRZSA-N 448.471 2.003 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286784470 IGQDRPLMGMWQGH-SFHVURJKSA-N 433.560 2.430 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286790435 RVPAALFGJSNHQW-GOSISDBHSA-N 429.594 2.001 30 10 IEEE Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)c1C 1289092379 GYHQXEYSXSZRBB-APWZRJJASA-N 440.548 2.490 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H](C)N(C)C3CC3)CC2)c1C#N 1290576394 DTCUIHFVYXVGJY-QGZVFWFLSA-N 439.612 2.200 30 10 IEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@H]1C 1300458753 MVCOZSFBVXZCJX-AOMKIAJQSA-N 433.553 2.002 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1300498940 OGNJRNBPWOTHRV-SFHVURJKSA-N 436.578 2.388 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1cnn(C)c1 1300548823 PTILNTDHEZVUSC-UHFFFAOYSA-N 439.317 2.474 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N1CCOCC1 1300605236 ZKRNAMMSDCGPSI-UHFFFAOYSA-N 433.459 2.255 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC)[C@H](C)CC)CC1 1300719828 RMYKDFAZZOXTDC-YLJYHZDGSA-N 426.565 2.311 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300753879 CRZQCUJEROYGGJ-GOSISDBHSA-N 439.589 2.289 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1300760542 DIPFKLYNVBTRJH-LJQANCHMSA-N 446.621 2.266 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1300856376 CGQMGDXEULPHTQ-UHFFFAOYSA-N 447.337 2.044 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(C)C)C1 1301246664 VQEHXOGAULTSBA-FQEVSTJZSA-N 438.536 2.375 30 10 IEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC)C1CC1 1301323948 XOVBEMKANKYGIJ-PMERELPUSA-N 426.546 2.115 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CCO1 1301373135 HQXYXWCEIXJWTO-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(OC)CCOC2)C1 1301556840 MVQKFNZUMWRMRN-CVDCTZTESA-N 428.533 2.464 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N2CCCCC2=O)CC1 1301568654 IQMCOWHFOOJBHW-KRWDZBQOSA-N 437.610 2.374 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)CSCc2ccc(C#N)cc2)C1 1301709250 MHUBSENWNCEDBH-UHFFFAOYSA-N 444.557 2.129 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCC[C@H]1C 1302953750 BIIFSCUIGPDMLR-STSQHVNTSA-N 438.580 2.404 30 10 IEEE COc1cccc(C(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)c1OC 1313190955 OWJGVGXRNYSJCM-IBGZPJMESA-N 434.496 2.210 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2occc2C)C1 1314006116 HBTFWWVKTBYJQQ-SFHVURJKSA-N 440.529 2.285 30 10 IEEE CNC(=O)CCn1c(-c2ccccc2Br)nnc1N(CCC#N)CCOC 1315045998 WEROVJXODMJBJU-UHFFFAOYSA-N 435.326 2.210 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1316010016 UNBNDJNHIWDUAH-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)CC4(C#N)CCOCC4)CC3)cccc2c1 1354751919 MABWPULAYAVUQX-UHFFFAOYSA-N 442.541 2.087 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(S(C)(=O)=O)c2)cc1 1357310544 SWUHNXZWZSAZNX-UHFFFAOYSA-N 438.527 2.158 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCNS(C)(=O)=O 1358874433 XFFRPIRKPYDQHE-LSDHHAIUSA-N 439.969 2.469 30 10 IEEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1358925843 UFWZWSYXBWXSAU-UHFFFAOYSA-N 438.557 2.425 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1358980230 OCQGIBBCECIDST-QFIPXVFZSA-N 444.539 2.312 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCOC[C@H]1C 1358989977 WEYQTCGEBKIVNB-LJQANCHMSA-N 437.544 2.146 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)F 1359016628 ICXZFEIHBOXDBO-MRXNPFEDSA-N 435.450 2.332 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1359022722 KYMKQVUQWSEVGO-FQEVSTJZSA-N 448.527 2.346 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1359027831 XMVCARYPXAVWMC-HXUWFJFHSA-N 441.580 2.143 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(CCOC)no1 1359106053 XEZZKYDXNLBBHL-FCEWJHQRSA-N 432.525 2.319 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1359132876 HJULNPOPVUGZDV-RBUKOAKNSA-N 438.594 2.026 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1359144307 DZRYHFBWOSJNGZ-GOSISDBHSA-N 438.916 2.390 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1359233343 AQDPFBWNAZCTMN-UHFFFAOYSA-N 436.534 2.170 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1359260838 PMNYADPXEGUWPN-AEFFLSMTSA-N 442.495 2.102 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CC(=O)NC)CC1 1359293194 JYUCBLLLCHSJSP-HXUWFJFHSA-N 438.576 2.475 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 1438604331 UVFRVDWNFFZSAU-UHFFFAOYSA-N 447.538 2.024 30 10 IEEE COCCN(CC#N)C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1450854567 VWQVJGFXBWDSLE-UHFFFAOYSA-N 442.467 2.400 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)N(CC#N)c3ccc(Cl)cc3)cnc21 1461169029 WKNHAOXWACKTOE-UHFFFAOYSA-N 435.669 2.103 30 10 IEEE CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 1500943082 GJMQUVFQQWTSGD-BBTUJRGHSA-N 434.610 2.042 30 10 IEEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2c(C)nn(C)c2C)CCOC1 1502659730 CJSYYRBLGWMQOI-QFIPXVFZSA-N 427.553 2.459 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(O)CCC1 1503644364 BJAGFQLIGZLFIL-AWEZNQCLSA-N 435.326 2.080 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1503746340 IVSYMOGXNMROFR-SJORKVTESA-N 430.459 2.203 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 1505081093 CCNXUIHIQIWUAL-UDSSINMLSA-N 441.532 2.029 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1507613271 XSUZCNIJBQVTQI-UHFFFAOYSA-N 442.527 2.254 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507742056 ABPLWDINJSTUOK-QGZVFWFLSA-N 432.569 2.110 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)cc1 1507759749 NTODYUGOVBCNNB-XMMPIXPASA-N 434.544 2.245 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCS(=O)(=O)Cc1ccccc1 1507765166 JBEVPSZXPPDNHR-JOCHJYFZSA-N 436.541 2.342 30 10 IEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507869946 BQPAYLORODDHRK-CYBMUJFWSA-N 449.924 2.291 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CC1 1508012221 ZCUVCIMEMILEMK-UHFFFAOYSA-N 449.602 2.232 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1508038206 GSZFRBGECBEYGL-HXUWFJFHSA-N 444.532 2.361 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1508141442 NANCAVSZEFEBMJ-AEFFLSMTSA-N 448.593 2.020 30 10 IEEE CC1(C)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1510332559 YEWFLKQPCSOUHR-QZQOTICOSA-N 435.532 2.417 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCn2cc([C@H]3CCOC3)cn2)n1 1511670259 UTGHXPCKARGWJW-MJGOQNOKSA-N 437.552 2.279 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1512726607 DNEGKNMEPFZNOF-GKIWIXTESA-N 426.521 2.462 30 10 IEEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1516961737 WIHBTXYXYLHIKB-UHFFFAOYSA-N 427.509 2.004 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1517455755 KWVCLXTZISOKHG-LLVKDONJSA-N 446.309 2.367 30 10 IEEE COC[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1518706685 QDKMRKOASIPBLD-PKOBYXMFSA-N 425.537 2.395 30 10 IEEE N#CCN(C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)c1ccccn1 1530820422 QCRQMRXSUBKPDE-UHFFFAOYSA-N 426.274 2.472 30 10 IEEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1535217592 GKPCPHRFYPCKPJ-KBXCAEBGSA-N 433.892 2.134 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1539405637 GQLWVQRHNQEQFT-UHFFFAOYSA-N 441.495 2.122 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(C)COCCO2)CC1 1539460052 TZMRSYWSOLBWIE-XMMPIXPASA-N 439.560 2.035 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C(C)C)N2CCCC2)CC1 1539874645 OASVNRUNONFDEE-HKUYNNGSSA-N 438.642 2.411 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)c2)c1 1539921160 MTZMUPABMDDYGF-UHFFFAOYSA-N 442.431 2.036 30 10 IEEE CNC(=O)NC1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1557021748 PJXNOXVQMARLEV-IBGZPJMESA-N 441.532 2.313 30 10 IEEE C#C[C@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CCOCC1 1557579418 OVOIGSPPXSONHB-HNNXBMFYSA-N 436.249 2.291 30 10 IEEE C#CCN(C(=O)c1cnn(-c2ccc(O)nn2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1558369779 BDSGXPOWVIJMNS-UHFFFAOYSA-N 440.504 2.151 30 10 IEEE C#CC1(O)CN(C(=O)Nc2ccc(OCc3cccc(Br)c3)c(C(N)=O)c2)C1 1563268079 XKVQGUPOOCGLIX-UHFFFAOYSA-N 444.285 2.339 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C(=O)OCC)(C(C)C)C2)s1 1568162834 KSQZSFSPTXVGIQ-LJQANCHMSA-N 428.576 2.193 30 10 IEEE N#C[C@@H](NC(=O)COc1nsnc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 1585303440 VPGOKRWQTXUSNM-CYBMUJFWSA-N 428.301 2.441 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C(=O)OC 1587305161 CJQRORVIAHNRNO-QGZVFWFLSA-N 427.482 2.485 30 10 IEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1587883729 KHXDOTKIMCNCGX-NRFANRHFSA-N 437.544 2.407 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC(C)(C)C)c1 1587909237 HHPFUMKLDKFGFJ-MRXNPFEDSA-N 433.578 2.321 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588040587 OWFUTQGATLDPBZ-HNNXBMFYSA-N 439.994 2.373 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1588120903 UMKKDCLKBDUFIE-FQEVSTJZSA-N 443.555 2.020 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1588779740 BDXROIDUHLZTBQ-LJQANCHMSA-N 442.995 2.322 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1589088760 HVZPBYVKDUIREP-UHFFFAOYSA-N 448.600 2.364 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1594192517 KCORXBKQBTXLER-BQFCYCMXSA-N 425.599 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1595723609 YRHOGADRFJEEMT-RTBURBONSA-N 426.521 2.355 30 10 IEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C 1596868536 PTYLUWZQHPJCRI-PASDCYSWSA-N 431.562 2.500 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c(C(=O)OCC)c2C2CC2)s1 1603095843 FIBXZFCIROMKAD-UHFFFAOYSA-N 438.531 2.171 30 10 IEEE Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1612546372 AMFTYMSSISHTNI-FMQUCBEESA-N 439.476 2.436 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1617868698 HAHWGAHWRGJVKI-BJLXPSRBSA-N 426.546 2.038 30 10 IEEE C#CCN1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1 1618030150 WWNHLYNOZIHPSC-JOCHJYFZSA-N 427.570 2.310 30 10 IEEE COc1ccc(NC(=O)N(C[C@@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)cc1C#N 1627000613 CBLFKCLKHGPLPR-LJQANCHMSA-N 440.500 2.277 30 10 IEEE Cc1ccc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)cc1B1OC(C)(C)C(C)(C)O1 1627518712 JPMJCXHOYPURJG-UHFFFAOYSA-N 428.342 2.404 30 10 IEEE C=CC1(CC(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1628733899 MJHVJKAXXAUHME-UHFFFAOYSA-N 444.576 2.407 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCn3ncnc32)c1 1630497808 BWEHGOQFCPXWMY-GNCLFBLESA-N 430.534 2.387 30 10 IEEE CCC(=O)N[C@H](CCSC)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1632252796 DRJIFSFHAKZBEZ-GOSISDBHSA-N 440.573 2.245 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2C2CCN(CC)CC2)s1 1632449343 YBCFCKGREYTKBR-UHFFFAOYSA-N 437.591 2.247 30 10 IEEE Cc1ccc(C(=O)N[C@](C)(CO)Cc2ccc(Cl)cc2)cc1S(=O)(=O)NCC#N 1632451234 RLDWZZOHIRGBAS-FQEVSTJZSA-N 435.933 2.174 30 10 IEEE COc1ccc(Br)cc1OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1633840519 JQADLFLEJHWCBK-UHFFFAOYSA-N 425.260 2.213 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)cc1 1634291413 BJDANYPPPQTOOE-KRWDZBQOSA-N 439.273 2.050 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)=NO2)C1 1635887760 INTJTIXRNMNEJD-UHFFFAOYSA-N 443.479 2.112 30 10 IEEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1ccc(C#N)cc1 1639894939 RYEWBOVUSFQBEY-UHFFFAOYSA-N 430.486 2.181 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1639969301 ZSRNFUPQIUMKMW-UHFFFAOYSA-N 444.528 2.172 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 1641828193 KNXNWXMNZMHKEY-BEFAXECRSA-N 435.509 2.214 30 10 IEEE COC(=O)[C@]1(NCC(=O)N(CCC#N)CCC#N)CCc2cc(Br)ccc2C1 1647798868 SQXRPKHPDJRAQG-FQEVSTJZSA-N 447.333 2.095 30 10 IEEE C[C@@H]1CN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1649562453 HQVVCAAELAICCY-ZHALLVOQSA-N 430.578 2.158 30 10 IEEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2nc3c(cc2C#N)CCCCC3)C1=O 1656822608 AHHGUWMJOMAQTB-XMMPIXPASA-N 447.495 2.489 30 10 IEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 1659355947 CBLAGHNTJPJILF-UHFFFAOYSA-N 448.589 2.263 30 10 IEEE C=CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OCC 1663976516 YCQYQBQFTRGPQX-SFHVURJKSA-N 444.575 2.037 30 10 IEEE C#CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1672494146 LYTORWKIINCWTC-UHFFFAOYSA-N 435.594 2.002 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)Cc2ccccc21 1681225948 ACEWESHESTUCME-JQHSSLGASA-N 428.489 2.227 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1689967555 IWCWDOQBNSIPBM-UHFFFAOYSA-N 429.496 2.371 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689987648 AAUGKMUYSMMFOA-SFHVURJKSA-N 432.521 2.390 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCOCCS(C)(=O)=O 1690088665 SLGDFRBKGUEUQA-UHFFFAOYSA-N 436.553 2.416 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](COC)C1 1690159745 LDMAIPXOEZROIN-LJQANCHMSA-N 432.546 2.180 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@@](C)=O)cc1 1690210624 FYBVDVTWWUYZCK-SLGOVJDISA-N 439.585 2.319 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690508142 BVXNCYPPJQKETQ-FQEVSTJZSA-N 443.596 2.047 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC[C@H]1OC 1696335714 AKWQOSAEQFJEJJ-YQVWRLOYSA-N 440.552 2.006 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1697074477 ASACEGBMIDIXND-MRXNPFEDSA-N 432.431 2.129 30 10 IEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1698022044 DDAFKWMQLPXRHS-UHFFFAOYSA-N 430.509 2.336 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(OC)CCCC1 1698061029 OUAGGYPRDVKNRI-UHFFFAOYSA-N 430.509 2.331 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705531395 IGCSOJKIJZWJGG-GJZGRUSLSA-N 442.545 2.265 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COc2ccccc2O1 1705585153 MCXGCOMWCCWOQC-KRWDZBQOSA-N 447.520 2.182 30 10 IEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1705622616 NJASEQZSFAMBHB-XXBNENTESA-N 442.564 2.099 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(OC)ccc2OC)CC1 1705641244 XUAGIVMTLCOFPV-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1705699117 CNPMWRVZMVINCY-YRXWBPOGSA-N 438.594 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705895706 PONYRYMGKQONIG-INIZCTEOSA-N 430.940 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)C1 1705921532 UMLSSOHMTLWXCJ-QGZVFWFLSA-N 446.939 2.024 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCC)C1 1705925960 WMWSWOHVTFWVGT-OALUTQOASA-N 446.573 2.409 30 10 IEEE C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1706788935 CCRACAHNSPBLEV-IBGZPJMESA-N 447.591 2.213 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708555314 GSLHYCGUNADHME-DUPUNLONSA-N 440.504 2.489 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1710880790 CKKIUCIUUAIHAH-MRXNPFEDSA-N 447.561 2.167 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)c1 1712696184 SWZWDXFGAFHJBS-LJQANCHMSA-N 429.546 2.462 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)CCOCC1 1722378943 JISIWHDNAFJJNS-UHFFFAOYSA-N 440.573 2.128 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722592427 YEYRYCLUTDVLOD-ZWKOTPCHSA-N 443.596 2.414 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC 1722662652 ZZABLJAHNNORHO-UHFFFAOYSA-N 449.544 2.311 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(C)C)C1 1722695553 HWIMLECIINIBTM-SFHVURJKSA-N 435.536 2.095 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1722697524 KOSOGACXGSHLRO-MRXNPFEDSA-N 438.561 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC(F)(F)C2)C1 1722710855 PDFGNSRZLUKDAK-RRFJBIMHSA-N 433.525 2.105 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1722719557 VXYUTCOKGMCKDG-CZPUGAFSSA-N 430.574 2.490 30 10 IEEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1727700570 VGZWHUDMLXCGQJ-SJLPKXTDSA-N 446.577 2.293 30 10 IEEE CN(CC(=O)N1CCOCC1)c1nnc(CCCc2ccccc2)n1Cc1ccc(C#N)o1 1729371918 ABRXQABRAGXUJK-UHFFFAOYSA-N 448.527 2.261 30 10 IEEE COCCN(c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CC[C@@H](C)C1 1730737290 AJLJYRZRTFSTKB-JUQVVLDHSA-N 428.537 2.323 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ncccc1F 1740556460 CWJQDLZSGKYPJR-CQSZACIVSA-N 428.493 2.341 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1cnn(-c2ccccc2)c1 1740644347 CJHMAMGBONEDIS-UHFFFAOYSA-N 429.528 2.308 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1740661679 HQPBPFGUAMVPKD-CYBMUJFWSA-N 445.467 2.295 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC=CCO2)CC1 1740693218 XIYPWYAHLXFPLB-FQEVSTJZSA-N 437.544 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2csc(COC)n2)CC1 1740706447 YHSYNFORWUWNCW-UHFFFAOYSA-N 444.605 2.484 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740791830 RDAKGYIQRUGUGM-UHFFFAOYSA-N 429.525 2.385 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 1740962344 ZPHVXUBGFJHANK-UHFFFAOYSA-N 426.565 2.100 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1)N(C)C 1741862962 NDPCCDFBOMMBHT-IEBWSBKVSA-N 435.536 2.112 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC(F)F 1742912269 ADCDVEUIEVCQFL-CQSZACIVSA-N 434.447 2.025 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC(C)C)CC1 1748640432 VBZIWJMWBXHHQW-MSOLQXFVSA-N 438.642 2.104 30 10 IEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748755492 MYNVKERXFCUEAE-UHFFFAOYSA-N 426.590 2.088 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748824777 SXHZSMWCLDUMEF-MOPGFXCFSA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1CCCO[C@@H](C)C1 1748848659 MTTGLPKBTKGHCP-NRFANRHFSA-N 435.572 2.451 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1748882607 YOZHOBGZBGPTOQ-HXUWFJFHSA-N 435.528 2.340 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(OC)c(OC)c2)CC1 1748993737 JYDZSEYFLOJGRT-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749020028 IURWNABBTQMAGM-JTSKRJEESA-N 449.621 2.337 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749366707 KBMQFWLHKMQBSE-MRXNPFEDSA-N 425.599 2.245 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749740503 FTYRIMTXGZLTFY-HRAATJIYSA-N 437.610 2.500 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1749953498 KWCUOHHHMSHIPC-ZHRRBRCNSA-N 444.511 2.194 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCCc2ccccc2)n1Cc1ccc(C#N)o1 1751202993 UUWMJVIONBGBGX-MRXNPFEDSA-N 442.545 2.470 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCOCC(F)F)c1 1760125898 NMFDIJZFFWXSKW-UHFFFAOYSA-N 443.458 2.017 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H](C)N2CCOCC2)c1 1760127587 FEJLJBNQMIREAK-GOSISDBHSA-N 436.560 2.008 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 1760152209 GTXIUMBXGARMRO-UHFFFAOYSA-N 426.521 2.303 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1760197375 VFJPMAFPSFERRK-TZIWHRDSSA-N 440.569 2.483 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1760257406 VYMOZUDRBRCKEP-QPPBQGQZSA-N 446.640 2.050 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(C)COCCO2)CC1 1760261667 VEOWARRWIQNSOJ-XMMPIXPASA-N 439.560 2.035 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2C2OCCO2)CC1 1760265019 LDCGBEMVRMZIOK-UHFFFAOYSA-N 437.544 2.461 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1760337673 VJIGQOQKRVIJHT-SFHVURJKSA-N 441.561 2.212 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1761541141 TXMCVURXJNNZGD-AWEZNQCLSA-N 445.476 2.305 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1763283538 RSYFRNUOPLIVHS-TUPYQCFKSA-N 441.561 2.140 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccco1 1767843389 GYTRAVNORUESIN-QGZVFWFLSA-N 426.502 2.300 30 10 IEEE CCOc1ccc([C@H]2Cn3nnc(C(=O)NCC#Cc4cnn(C)c4)c3CO2)cc1Cl 1850459944 SVOLBXNKHDWLDS-LJQANCHMSA-N 440.891 2.117 30 10 IEEE CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 1850496160 CRAFGKSPJQKPNF-GOSISDBHSA-N 439.903 2.459 30 10 IEEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1851267836 QFPXTMLKGUNWFD-ZDUSSCGKSA-N 441.435 2.356 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4c(C)cccc4C)n3[nH]2)CC1=O 1852330641 JQCUHHDQLNYMTP-DLBZAZTESA-N 434.500 2.276 30 10 IEEE Cc1cccc(C)c1N1C[C@H](C(=O)N(C)c2snc(N3CCOCC3)c2C#N)CC1=O 1852590112 YENAHFGYIXCCAL-MRXNPFEDSA-N 439.541 2.484 30 10 IEEE Cc1c(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nnn1Cc1ccc(F)cc1 1853223361 SJWJPVYEAIYBFU-UHFFFAOYSA-N 433.387 2.258 30 10 IEEE C=CCN(C(=O)CCCN1CCS(=O)(=O)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 1853566644 PUKPVBYXGCVGAH-JOCHJYFZSA-N 433.618 2.176 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2=O)c1 1854022022 CWBFYWAHGWMZGC-UHFFFAOYSA-N 435.864 2.218 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C2=O)CC1 1857338408 CNDKOGXNWYPCNQ-AEFFLSMTSA-N 432.908 2.269 30 10 IEEE CCOc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862563920 NUSKESBZQKVYIE-FQEVSTJZSA-N 439.468 2.088 30 10 IEEE C#CCOc1cn(CCCN2CCCC2=O)c(CN(CC)CCc2ccncc2)cc1=O 1870558960 OYLLAVWJXBFVRT-UHFFFAOYSA-N 436.556 2.332 30 10 IEEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870692194 GOVTVGSJJZKSKX-UHFFFAOYSA-N 429.492 2.438 30 10 IEEE CCOc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1OC 1873528956 LAXLRLZNUDFJFX-QOJWJBQSSA-N 440.909 2.110 30 10 IEEE CCOc1cc(/C=N/n2c(COc3ccccc3)nnc2SCC(N)=O)ccc1O 1874383173 COQGWYPANOWGTL-SSDVNMTOSA-N 427.486 2.421 30 10 IEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c1 1874434283 XEOHPBYITTXVHO-FSJBWODESA-N 444.561 2.346 30 10 IEEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2232321148 OJYBXFUEMQUSKV-QZTJIDSGSA-N 445.369 2.453 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21)B1OC(C)(C)C(C)(C)O1 2247963151 ULAPNAHBWPBTCQ-ARFHVFGLSA-N 442.387 2.491 30 10 IEEE CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403496 GZZBEARBEOBFCT-LJQANCHMSA-N 440.375 2.139 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 2255541558 DFIYLHOLTLMDDU-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255609442 UAIAISDUUHYMSJ-ZMOMAAQPSA-N 438.330 2.439 30 10 IEEE COC(=O)[C@H](CCNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2255613549 YZJKXPLVBPUAKK-ZNMIVQPWSA-N 440.346 2.431 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255651557 JWFLMWPFWFHIBP-LBPRGKRZSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255818379 KNHBDGOVXYVDOL-UHFFFAOYSA-N 435.305 2.117 30 10 IEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255824369 GWVMTVSKAVTYEV-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NC1(C2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C2)CC1 2255862612 IYRYHKAMCDANJL-UHFFFAOYSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2256640754 UTLUJILBOPNEQB-UHFFFAOYSA-N 432.330 2.465 30 10 IEEE Cc1nc(NC(=O)OC2CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256672261 FDUYETFJFWZSDC-UHFFFAOYSA-N 434.302 2.252 30 10 IEEE C[C@@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1NC(=O)C(F)(F)F 2256892844 UEBQCXFUGYEQAQ-BXUZGUMPSA-N 431.239 2.413 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140083 OGULWNCOAYYKKB-IIAWOOMASA-N 446.357 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267267550 LEWLYYQWGMBPLU-QFIPXVFZSA-N 446.357 2.295 30 10 IEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267507360 MZQDSWJUVNXSMR-PKOBYXMFSA-N 438.381 2.360 30 10 IEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268637469 MXMVTEFTBPAEMA-IIDMSEBBSA-N 448.369 2.437 30 10 IEEE Cc1ccc(CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701450 UYIRBUCYZZXMGU-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@H](N)C#Cc1cccc(Br)c1 2278735712 RXARXZGZGPSPNE-HZPDHXFCSA-N 443.363 2.066 30 10 IEEE CCn1c(N2CCCCC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461327 JJXYFBIDERDIHP-UHFFFAOYSA-N 446.554 2.324 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@@]2(NCCC#CBr)C(=O)O 2348839981 MHBYQDFBDUVZRY-MKFPEHQLSA-N 431.327 2.095 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)CC1 22846654 AHZSLSZOYWHADX-UHFFFAOYSA-N 427.574 2.285 30 10 IEEE C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 28961618 UPFKYAUCBFAZQJ-SFHVURJKSA-N 438.553 2.232 30 10 IEEE CCCCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 29760292 BSAJREWMQYHUAY-HNNXBMFYSA-N 427.505 2.247 30 10 IEEE C#CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCOCC1 36150987 RJNGKOHNQIMPDN-NRFANRHFSA-N 443.544 2.027 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1 64991798 JLAPDALOVKZMMZ-UHFFFAOYSA-N 435.437 2.419 30 10 IEEE C[C@]1(c2cccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c2)NC(=O)NC1=O 426326893 NJJYZIJQBCALSC-DNVCBOLYSA-N 427.258 2.498 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CCC3)c2=O)n1 430984868 PCVJQDLFADIADD-UHFFFAOYSA-N 447.516 2.433 30 10 IEEE CCOC(=O)C1(O)CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 444394700 IMQGPAKUAISCBY-UHFFFAOYSA-N 447.542 2.624 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)cn1 461311151 QYEUKHFZOIEEHQ-UHFFFAOYSA-N 425.334 2.386 30 10 IEEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1cccc(Cl)c1 481346984 UWJMAXGTYJDSCE-UHFFFAOYSA-N 449.964 2.194 30 10 IEEE Cc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)cs1 514522099 PCSBKPXUGPIBIM-UHFFFAOYSA-N 438.578 2.248 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(C)C 517985288 RFAGSSKNOXZGKI-UHFFFAOYSA-N 427.570 2.221 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 520932422 CDLQDWZQLFBJJY-LJQANCHMSA-N 441.509 2.108 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)cc1 523265776 NMXFHVLIPQYGHU-KRWDZBQOSA-N 429.542 2.416 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C[C@H](C)C#N)C1CC1 533583624 LJIPRQNFAKQULQ-OAHLLOKOSA-N 425.576 2.482 30 10 IEEE Cn1ccnc1CN1CCC[C@H](NC(=O)NCCSCc2ccccc2C#N)C1=O 542108701 RFKZPSRMUNJBFF-SFHVURJKSA-N 426.546 2.015 30 10 IEEE N#Cc1cccc(N2CCN(CC(=O)Nc3cccc(CN4CCSCC4)c3)CC2)n1 545504007 PIAUMDSNMPANMK-UHFFFAOYSA-N 436.585 2.263 30 10 IEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)N(C)C)CC1 549248477 RXLFIGFFMUCTDY-UHFFFAOYSA-N 438.580 2.333 30 10 IEEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)CC3)CC1 580966217 YFHYGZOBFMSLRH-FPOVZHCZSA-N 448.571 2.037 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CC1 608268387 YPVJBRVILDZMFV-UHFFFAOYSA-N 435.500 2.464 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1 609981936 XWWUHYAZDHXYMU-UHFFFAOYSA-N 439.537 2.142 30 10 IEEE CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1F 611950521 NQZHMEOKAKZVRX-UHFFFAOYSA-N 425.399 2.326 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)nc1 616224475 YIKALCANUBLGFP-HXUWFJFHSA-N 436.491 2.161 30 10 IEEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730143626 VACBCQRIQMGENO-RBUKOAKNSA-N 432.590 2.482 30 10 IEEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1Cl 743736125 NOISIMSQNPQBGA-KRWDZBQOSA-N 436.965 2.371 30 10 IEEE Cn1nc(O)c2c(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc(C3CC3)nc21 756881904 FCNYTHBXRWSFOD-WFASDCNBSA-N 426.477 2.040 30 10 IEEE CN(C)CC#CCNC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757479407 LDAWUVDQKXBOPA-JOCHJYFZSA-N 449.507 2.050 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cn2)C1=O 763213793 VCCJNASMQCLNNI-GOSISDBHSA-N 429.521 2.420 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)cc(Br)c2)c1=O 772275243 BVYAFOQYDRGHSK-UHFFFAOYSA-N 448.386 2.418 30 10 IEEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 777344273 BCRZKBRIVNSWCJ-UHFFFAOYSA-N 439.449 2.209 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)c(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 779506445 WSUOBDVYQUSSEG-LLVKDONJSA-N 431.308 2.121 30 10 IEEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1 782419520 GTZXRVACUCYDCT-UHFFFAOYSA-N 425.445 2.370 30 10 IEEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N1Cc1ncn(C)n1 782814987 BHYILAPJXVRSTN-ZDUSSCGKSA-N 440.451 2.324 30 10 IEEE C#CCN(c1nnc(CN2CCCc3ccccc32)n1CC=C)[C@H]1CCS(=O)(=O)C1 809921572 HMXVOPQVCISWDR-IBGZPJMESA-N 425.558 2.044 30 10 IEEE COc1cc(OC)c(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)c(OC)c1 811860757 UVSVBFKYNJGLTH-UHFFFAOYSA-N 431.518 2.381 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(C(=O)C(C)C)CC1 914494482 MHZNSSFFHHVYIR-SFHVURJKSA-N 448.589 2.047 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)ccc1F 914739582 YVEOAXDVTWXMPR-JKSUJKDBSA-N 428.551 2.417 30 10 IEEE CSc1cccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)c1 916775734 ZPFUYCGCZDDLIH-MRXNPFEDSA-N 429.523 2.279 30 10 IEEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 919076684 CDJXKALNCZVXQM-MSOLQXFVSA-N 441.528 2.366 30 10 IEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084028679 IDVBVSACMQUCAJ-UHFFFAOYSA-N 443.537 2.345 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 1130117486 NEKWXTBJUXBPPA-JXFKEZNVSA-N 448.589 2.244 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)OCC 1132417998 KCIKYURIXMLTBF-BXUZGUMPSA-N 427.816 2.277 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)C2)nc1 1141571135 YEEUKFDZLHFZCL-OAHLLOKOSA-N 440.257 2.469 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)OC 1141995063 HGWZQLOHIBCHNI-ZDUSSCGKSA-N 426.903 2.497 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)C2)C1 1159909046 ONESAZFDXMNNGM-HRXNXTQESA-N 439.578 2.056 30 10 IEEE CC(C)[C@@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1163597667 FHDJQSXTFGSHHH-GDBMZVCRSA-N 437.562 2.234 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1167197648 XPGYELQJYHVPQS-UHFFFAOYSA-N 427.526 2.276 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1 1175515062 QCJDNNXXKLXZRL-LBPRGKRZSA-N 436.386 2.086 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2CC2CCOCC2)CC1 1176792713 HZXSNCFPUJPMPN-XZOQPEGZSA-N 444.551 2.052 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H](CO)C[C@@H]1CCCO1 1177982263 VLEHVUOASLEFMV-CMKODMSKSA-N 429.517 2.439 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 1211110915 HNEWPLPROMMFJC-XYPHTWIQSA-N 428.352 2.193 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCNC(=O)OC(C)(C)C)cc1 1214686610 BUWGHWAJKKPWFE-UHFFFAOYSA-N 426.539 2.482 30 10 IEEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286582945 FFJITJJYCNKJNE-JOCHJYFZSA-N 432.590 2.405 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286712039 XHNMUHYPFDARRO-MRXNPFEDSA-N 429.525 2.431 30 10 IEEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 1288143339 JYEJKHMLSWFGHV-IBGZPJMESA-N 438.553 2.306 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 1292697135 UZHMSNMJIMAVSZ-FQEVSTJZSA-N 443.544 2.351 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)CCC2)C1 1296161744 PNWHFRYYOAIAEP-UHFFFAOYSA-N 427.501 2.300 30 10 IEEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1296270931 QQMJCHOVODGUNB-NPPFBWRTSA-N 444.580 2.439 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1300276180 ITAZWWYPWBMBST-LBPRGKRZSA-N 440.367 2.318 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCCCC1 1300521425 WUXHKYGBQCERMN-UHFFFAOYSA-N 430.516 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCOCC1 1300569476 MITXGRSJKVHZPG-UHFFFAOYSA-N 437.544 2.148 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](OCC)C(C)C)CC1 1300683035 VMTMOIYTDHGRPO-IBGZPJMESA-N 439.564 2.132 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1301367015 JQEWIMAGWSJJIV-PMACEKPBSA-N 440.596 2.401 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301467477 UVSJHHCDAWRJNS-UHFFFAOYSA-N 442.505 2.402 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1302442698 YAFHQCRYFDKEMY-UHFFFAOYSA-N 432.532 2.448 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CC1 1305534688 SEEWCZKDHCIWRG-JTBPQFFMSA-N 427.578 2.296 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)C(C)C 1315229756 VVTPVGXAFIOALN-MISYRCLQSA-N 438.532 2.115 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 1320084985 GFCVBZBIOYQSKJ-CYBMUJFWSA-N 429.336 2.307 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358870343 LJIQHSXHRSELEL-QZTJIDSGSA-N 443.511 2.436 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1358920247 VUWONZWSIGBUDB-PKOBYXMFSA-N 431.562 2.270 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1358962725 VGJJQMMIUQCLLD-OAHLLOKOSA-N 438.475 2.442 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358964872 IXDZXYKNGRAOGL-HKUYNNGSSA-N 449.646 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(Cl)nc1 1358974068 QDNKDVDHHOSPKK-UHFFFAOYSA-N 429.875 2.090 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCO[C@H]1C 1359019592 ZLBWOQHNPREWJU-HOIFWPIMSA-N 432.496 2.183 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359068735 MTQGZGXJUUIFMT-YLJYHZDGSA-N 449.481 2.380 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1359272616 XQTPNKXQIINOJR-KRWDZBQOSA-N 432.546 2.424 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359288452 FNIBJTAMBYRWBD-BGYRXZFFSA-N 437.592 2.076 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1359335885 XTUMFLUVKUIEGP-LPHOPBHVSA-N 432.546 2.455 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[S@@](=O)C(C)(C)CC1 1449601836 GNLNVQXQALZMFW-DEXQXJORSA-N 439.603 2.044 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 1452991150 MABAWMKVVMBZPT-KXBFYZLASA-N 429.498 2.198 30 10 IEEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)cc1 1472506376 FJDUVPFZVSTTCM-UHFFFAOYSA-N 440.569 2.220 30 10 IEEE N#Cc1csc(CNC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)n1 1478350710 IBWLYASBVMBDID-UHFFFAOYSA-N 437.522 2.196 30 10 IEEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)[C@@H]2C1 1479456837 LYBITONQBMCRFD-MJEZEWASSA-N 436.516 2.146 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)Nc2ccc(F)cc2)cs1 1492682059 NZVXPCYRXXWTQM-KRWDZBQOSA-N 441.492 2.140 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C[C@H]1O 1503880572 DCPHTCHHVBGMSD-FGTMMUONSA-N 427.530 2.073 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccs1 1504992929 BGMDGOFIGJDOMB-WMZOPIPTSA-N 430.578 2.483 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1507675786 HZEJLBUNNHRBPH-GOSISDBHSA-N 444.532 2.284 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)CC1 1507807539 RLCOKYZLUHNKNK-JQHSSLGASA-N 425.599 2.496 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1508111242 DRLPBRVYAOFBOH-FPOVZHCZSA-N 426.565 2.478 30 10 IEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCOCC1 1513622588 HYHVKOGASZRCFC-GOSISDBHSA-N 438.532 2.247 30 10 IEEE C=CCC1(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1525318759 MCMFLPVKRNRQKE-UHFFFAOYSA-N 438.546 2.418 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1537528704 FXMLGZDJQRUOGV-SFHVURJKSA-N 449.573 2.258 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](C(F)F)N1CCOCC1 1538994080 YPFQCLZPLJUDBA-RDJZCZTQSA-N 447.486 2.488 30 10 IEEE Cc1oc(C#N)cc1C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1539198733 AKZBFXLIMIYZAC-HNNXBMFYSA-N 435.221 2.378 30 10 IEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1539201996 DNXAIURGAQDORK-SFHVURJKSA-N 435.594 2.013 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539336985 IISXGMNQJKCTJG-HXUWFJFHSA-N 425.533 2.252 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Cl)cc2)CC1 1539428512 SJYTVNFBUGTIGD-UHFFFAOYSA-N 426.952 2.165 30 10 IEEE CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540752994 SPVFCPAKCSFBQO-ROUUACIJSA-N 437.585 2.023 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCOCC1 1540912847 DHYGCXFFUQGCPA-UHFFFAOYSA-N 436.607 2.384 30 10 IEEE C[C@H]1CCc2sc(-c3nnc(N(C)C[C@@H](C)C#N)n3CCNS(C)(=O)=O)cc2C1 1541106709 AWUZIJSMVNJQHA-KBPBESRZSA-N 436.607 2.276 30 10 IEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1541687193 JKGWIHSYMNSUAS-IBGZPJMESA-N 432.532 2.459 30 10 IEEE CCCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)c(C)n1 1546982192 LKSBKIRMKHZUAI-UHFFFAOYSA-N 432.532 2.496 30 10 IEEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1547149845 FAVOAFIAFAGZSE-LJQANCHMSA-N 446.577 2.104 30 10 IEEE CCCN1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1 1547177920 AYATXIKKCNTBJG-IIBYNOLFSA-N 445.568 2.443 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)C1 1559000109 OQIDNQWWGVZDNM-OAHLLOKOSA-N 439.497 2.345 30 10 IEEE CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCN(CCC#N)CC3)cc2F)ccn1 1562906914 HXSDMDFHCUEFSU-UHFFFAOYSA-N 426.452 2.436 30 10 IEEE CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1584490161 SYWRFVFKUASELE-IHSWXRNOSA-N 449.548 2.342 30 10 IEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3n(n2)CCC[C@H]3O)CC1 1585533931 GDEZFHZKTRQQLV-RBUKOAKNSA-N 444.333 2.495 30 10 IEEE CN(C)[C@@H]1C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1585891125 JRWIEZSUCGFNHM-RBUKOAKNSA-N 432.590 2.275 30 10 IEEE COc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 1586904339 QLUPRNWMGYVIHU-LUQKVYGDSA-N 436.578 2.126 30 10 IEEE C[C@H](Sc1nc(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cs1)C(N)=O 1587500907 KSEAFUYPCRRXHY-GUYCJALGSA-N 447.561 2.200 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CN(CC(C)C)CCO1 1587927079 STRKHVKJHVCXBC-MRXNPFEDSA-N 435.370 2.462 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588035304 RFMMEJBIIDPWCD-AVRDEDQJSA-N 444.557 2.150 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588065383 XVKCHUKEZQMWKG-CEXWTWQISA-N 431.537 2.029 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccnc1)C(C)C 1588180166 CEZNLMDOTLONCF-AZUAARDMSA-N 442.589 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCc1nc(C)no1 1588240771 CZECZKBQLOCLBW-UHFFFAOYSA-N 428.500 2.304 30 10 IEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1588836437 JZLIFLJBVJZMSC-UHFFFAOYSA-N 438.576 2.148 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1595538091 ZEFNEVMOYLWIEO-INIZCTEOSA-N 449.559 2.367 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1595723289 URNPLJLJQBWQNY-SFHVURJKSA-N 431.562 2.283 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCOC2(CCCCCC2)C1 1595799031 VVBRGIPEHAPJJV-GOSISDBHSA-N 438.594 2.312 30 10 IEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC(F)(F)CO1 1602851337 WRFALKRDXJGHSI-LSDHHAIUSA-N 432.479 2.202 30 10 IEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1611527484 HVCBZFYROTWHAS-QZTJIDSGSA-N 430.505 2.100 30 10 IEEE C=CCN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)C1CC1 1616576161 JLFJZABQHLJTQL-WOJGMQOQSA-N 445.566 2.383 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)cc1 1616997071 ARHJLNONZYVSII-MRXNPFEDSA-N 431.436 2.251 30 10 IEEE Cc1nsc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)n1 1617397110 RJVXQPONFNXRNA-ZGOJQLDESA-N 446.577 2.282 30 10 IEEE CN(C)C(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)c1 1617572581 FSXWTIKGFYVAPW-UHFFFAOYSA-N 449.559 2.281 30 10 IEEE COc1ccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)c(OC)n1 1619291547 WYBRYAIZGSQEME-KSFYIVLOSA-N 444.536 2.375 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1 1619548389 PJIJAUUOQOSCAU-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE C[C@H](O)[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)OCc1ccccc1 1624810522 INRJOGYMUKIAKI-DJJJIMSYSA-N 447.285 2.309 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(Br)c(CO)c1 1628062519 NBLSLSWYQONBOR-LLVKDONJSA-N 438.303 2.119 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 1633141073 QJRBQBWWLBPEIW-HXUWFJFHSA-N 425.554 2.463 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 1640849540 IWIWANZQELIUEB-LSDHHAIUSA-N 447.582 2.237 30 10 IEEE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 1652119037 ARLSWVSEQGKPEK-LEWJYISDSA-N 431.496 2.034 30 10 IEEE C#CCC1(O)CCN(CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)CC1 1655427908 VKFZRWSKRMLRCG-UHFFFAOYSA-N 436.530 2.199 30 10 IEEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)C1 1665457364 OVZLHTKMMPAWIG-RTWAWAEBSA-N 433.574 2.195 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 1666453685 WINAKAJETBJJSE-UHFFFAOYSA-N 446.504 2.022 30 10 IEEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(=O)OC)C4)C3)cc2n1 1675017524 BZIKLSCUJIIDPE-FIWNRLKKSA-N 446.529 2.243 30 10 IEEE COC(=O)C[C@@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 1682721653 QNYHDIFCQLWGGC-HNNXBMFYSA-N 427.461 2.227 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)N3CC[C@@](F)(C#N)C3)c2)nn1 1684253919 QPHUMHSDYSIUNX-OAQYLSRUSA-N 443.483 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1689827998 KKSWRNZXPGEXFB-HZPDHXFCSA-N 437.541 2.343 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H](C)C1 1689847300 WUZSRBBPYOTZHF-MSOLQXFVSA-N 443.621 2.428 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@H]2C)c1 1689870315 JVWOWRDLYZSLJD-IEBWSBKVSA-N 445.527 2.464 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1689902108 VJZUVXXCANXGLG-SFHVURJKSA-N 442.589 2.378 30 10 IEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690503921 SCKCZSHBLFHVSK-SFHVURJKSA-N 433.578 2.316 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1690690148 SAHLTSSJEPBZQK-INIZCTEOSA-N 434.422 2.277 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1690732069 VCDFVHIYWCHUOG-XLIONFOSSA-N 426.583 2.157 30 10 IEEE C=CCSCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1690752844 SQZNHKJSOYMLCI-GHTZIAJQSA-N 448.593 2.161 30 10 IEEE CC1=CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1693335991 JCKRKUDYYDXXOU-VXPUYCOJSA-N 439.545 2.317 30 10 IEEE CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1695146811 PEIQZMULKXEEHB-QBNCKDSPSA-N 430.553 2.398 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1695443789 JYEMIVAHOBVELZ-SFHVURJKSA-N 426.521 2.116 30 10 IEEE COCc1nocc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C#N 1697837040 NXRYAXOGNGTUHJ-CYBMUJFWSA-N 429.506 2.048 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCN(C)CC1 1705490998 VOQXRHSIULGZAZ-HNNXBMFYSA-N 430.578 2.291 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1705495813 VVZKUZSDIYSXFD-WFXMLNOXSA-N 425.533 2.217 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1705570706 STVIXKYQRKNVNR-SFHVURJKSA-N 445.545 2.140 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCOC(C)(C)C1 1705575531 NHKPFMFXUXTRQV-UHFFFAOYSA-N 437.544 2.146 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCC(F)F 1705601776 VNVVNSXOBFWVJW-UHFFFAOYSA-N 429.471 2.318 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1705700508 UROUKRKLCGIWSO-FHWLQOOXSA-N 433.578 2.291 30 10 IEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705826203 REFZPFHAOAYDNO-UHFFFAOYSA-N 431.500 2.066 30 10 IEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1705836436 SYFHXDXWMWXYEU-LBPRGKRZSA-N 428.356 2.103 30 10 IEEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N(CCC#N)CC2CC2)C[C@H](C)O1 1708244844 FGENZLBSLCACFR-ROUUACIJSA-N 426.569 2.308 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722311814 KRIVFOKHPDEJBT-MRXNPFEDSA-N 441.923 2.270 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722317939 WAIHZMUBZJWGFC-LJQANCHMSA-N 438.507 2.284 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722359459 SYYDOFQWGGMVED-KRWDZBQOSA-N 433.553 2.282 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)c(OC)c1 1722419008 LDSDOXPXCAHXJJ-UHFFFAOYSA-N 431.924 2.310 30 10 IEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](OC)C(C)(C)C)CC1 1722438726 ZUTOXVKQIJGFJR-LJQANCHMSA-N 449.559 2.410 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1722442643 XOCRVMBAKPQTEY-WOJBJXKFSA-N 439.560 2.436 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722579760 SQZFEQSEOUILOA-HXUWFJFHSA-N 430.597 2.160 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(F)(F)F 1722697657 OEUMEMSJMDLPHZ-UHFFFAOYSA-N 435.410 2.285 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1724011172 XDTBSBNXZYUQSN-KRWDZBQOSA-N 439.495 2.126 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCC(C)CC2)cs1 1725416249 VRSCLJADCUTKAL-APWZRJJASA-N 429.594 2.483 30 10 IEEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1Cc1ccc(C#N)o1 1727137025 MBTXQHXLAOLQJX-PMACEKPBSA-N 434.500 2.284 30 10 IEEE COCCN1C[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@H](C)CC#N)CC1=O 1730778534 QGIZUHNSGADICU-HZPDHXFCSA-N 446.502 2.380 30 10 IEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)CC1 1731188994 IASWRZFJJOBNFO-QGZVFWFLSA-N 444.561 2.205 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740580994 MOMWCZAEWGSTPX-UHFFFAOYSA-N 449.540 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740652758 LZMQURGRYPNEOL-UHFFFAOYSA-N 437.511 2.444 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2Cl)CC1 1740692403 KCEFVKDDQYDKHK-JOCHJYFZSA-N 429.952 2.387 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740791746 PKIZUDOJXUTEQW-UHFFFAOYSA-N 431.541 2.186 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740792043 SZOAHSXZJTZVNJ-WIYYLYMNSA-N 426.565 2.398 30 10 IEEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740870957 ZGXFADHASNLSHG-QGZVFWFLSA-N 436.520 2.452 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740885019 UXAFAAJQDKCXLS-UHFFFAOYSA-N 435.536 2.061 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCO[C@@H]1C 1740915235 YXZXYBHZXFHWIF-HXOBKFHXSA-N 431.500 2.339 30 10 IEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)OC)CC1 1740968597 LHXXDQPWLSBWBU-UHFFFAOYSA-N 441.532 2.419 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1COCCO1 1741126376 RQYSPQIMMQHQAC-HIFRSBDPSA-N 437.342 2.447 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1741754944 LQZHKAKZCVBZSD-REWPJTCUSA-N 441.532 2.252 30 10 IEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1745773411 XJWXLLRFLBQLKS-DEOSSOPVSA-N 449.559 2.038 30 10 IEEE C#CCN(c1nnc(C)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748805166 PDHWYUNRXWRITC-YLJYHZDGSA-N 429.590 2.343 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748820493 COWGESDKUWAHHJ-MRXNPFEDSA-N 426.464 2.252 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC1 1748993491 ZNPIOBKHJVUEBF-LJAQVGFWSA-N 431.993 2.189 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ncc(CC)s2)CC1 1749009611 CZMAUUGKECLLMC-UHFFFAOYSA-N 435.557 2.373 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C 1749019596 AIKUSLUHKHRMDA-UHFFFAOYSA-N 438.561 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC(N)=O 1749124959 RVMSMLACMSQSID-CEQIKUNHSA-N 441.532 2.398 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1749193764 PJUAHTFBSYQJJB-OAQYLSRUSA-N 438.576 2.187 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749234870 KNQLTLCBVBZJEQ-IBGZPJMESA-N 430.597 2.304 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncn(C)n1 1749531077 GPYYLABVMHJFQE-HSZRJFAPSA-N 448.531 2.171 30 10 IEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC=CCO1 1749599560 GWIGRTTZRIDYML-HXUWFJFHSA-N 439.564 2.436 30 10 IEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749630151 OVLHSPHOCPPBDI-UHFFFAOYSA-N 439.470 2.154 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCCC2)CC1 1749676625 XKSMSKMDNOGCTF-UHFFFAOYSA-N 438.576 2.244 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1749683766 FWDNRKMVTDTVKF-QHCPKHFHSA-N 435.532 2.254 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H](C)N2CCCCC2)CCOC1 1751027553 XGVXLCZCDVBNJM-TXTKFYIRSA-N 446.596 2.312 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCC1 1760174356 FWEKXSSCPCJWIA-QGZVFWFLSA-N 432.569 2.140 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(CCN(C)C)CC1 1760230990 RENHDOABIHLQSI-UHFFFAOYSA-N 438.576 2.407 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCSC(F)(F)F 1760248136 BLIYDQPEYYODRT-UHFFFAOYSA-N 431.440 2.345 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)CN(C)C)CC1 1760269079 XMCGKOBKFLSPLE-UHFFFAOYSA-N 437.592 2.202 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N(C)C)CC1 1760270636 TWXABAPIZVMTGV-MRXNPFEDSA-N 444.530 2.063 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](COCCOC)C1 1760305564 JYYTYAUGGLMARS-CQSZACIVSA-N 425.331 2.077 30 10 IEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1760329820 LLUDQPVJWIHOTN-SFHVURJKSA-N 433.475 2.400 30 10 IEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1760363595 QOOGARYBYPILKX-HXUWFJFHSA-N 425.533 2.181 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760406819 MPEPVFULDUGOQN-SJORKVTESA-N 449.625 2.293 30 10 IEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1760441177 ZTXWYUCYMJRJRU-IBGZPJMESA-N 427.505 2.052 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCS(C)(=O)=O 1760502283 UHSOVYZBAIEWRQ-UHFFFAOYSA-N 449.396 2.453 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](C)C1 1760559181 KDUXGECQLYJXJL-BZSNNMDCSA-N 426.583 2.229 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1763401783 HTNAMWAMGCSUCA-UPCLLVRISA-N 447.543 2.270 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCCO1 1764994198 SKHMVJNRSAWSLH-VQTJNVASSA-N 438.532 2.117 30 10 IEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)c1=O 1765339701 BECNDOIGOWHDNS-UHFFFAOYSA-N 445.527 2.105 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCO[C@@H]2CCOC2)CCO1 1770746441 GEOKQFGNXBQVNO-QZTJIDSGSA-N 449.458 2.471 30 10 IEEE N#Cc1ccc(CN2CCN(c3nnc(-c4cnccn4)n3CCCCCO)CC2)cc1 1771533737 XFSOMVAMPOQZMO-UHFFFAOYSA-N 432.532 2.092 30 10 IEEE N#Cc1c(C(F)(F)F)nsc1O[C@@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1849724354 LRONBJQXOFSNGW-OCCSQVGLSA-N 436.415 2.424 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccnc(C(=O)NCC3(C#N)CCOCC3)c2)CC1 1850565370 CJAMZFCCKUYHDR-UHFFFAOYSA-N 429.521 2.189 30 10 IEEE CCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 1850576585 RFKXAVPYISXKKV-UHFFFAOYSA-N 442.523 2.478 30 10 IEEE C=CCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)c2ccccc2)CC1 1852655271 WYAWHFGAEHNESW-NRFANRHFSA-N 429.542 2.045 30 10 IEEE Cc1ccc(S(=O)(=O)NC(=NOCCCN2CCOCC2)c2cccnc2)c(C)c1 1853555414 VBXAKUKLNDVGRP-UHFFFAOYSA-N 432.546 2.077 30 10 IEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)cc1 1853607072 BBQJKGDKTFVDOR-UHFFFAOYSA-N 447.900 2.088 30 10 IEEE N#CCC1CCN([C@@H]2CCCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857203459 GXQNZORAASFFDE-LJQANCHMSA-N 435.521 2.133 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569585 QAYOQTYTFLRZQE-WYRIXSBYSA-N 429.425 2.074 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2O)cc1 1874235733 XNDQELIUGWUXAS-SSDVNMTOSA-N 427.486 2.421 30 10 IEEE C[C@H](C#N)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883385892 GHHIJGRNNFISFY-BFUOFWGJSA-N 428.466 2.305 30 10 IEEE C=CCN(CCC(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1988625100 LDCAVZQETMAODZ-NRFANRHFSA-N 427.542 2.288 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)Cc1ccccc1 1990679978 XPFGUXBVKFUJGE-KRWDZBQOSA-N 439.578 2.291 30 10 IEEE C#CCO[C@H]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2009819657 LZZWANYWFFXGRB-RDPSFJRHSA-N 427.545 2.407 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2010152360 WGNMZVPVHUOHRU-IKGGRYGDSA-N 439.553 2.027 30 10 IEEE COC(=O)[C@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2124540262 FNWMWCYNFRESNS-INIZCTEOSA-N 448.325 2.381 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141666032 SPHQSWWJGNPLAE-HZPDHXFCSA-N 447.341 2.249 30 10 IEEE CC1(C)OB(c2cnc(N3CC[C@H](N4CCN(Cc5ccccc5)CC4)C3)nc2)OC1(C)C 2172714489 YXRGPWSUWUAQJU-QFIPXVFZSA-N 449.408 2.172 30 10 IEEE C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2248401113 FPHSUUQHDKLXFE-WFASDCNBSA-N 440.371 2.110 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1COc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021104 HFCFREKJSRLQIT-KBXCAEBGSA-N 434.342 2.487 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256614729 PGVGERXTWHLTIJ-GDBMZVCRSA-N 433.314 2.002 30 10 IEEE Cc1nc(NC(=O)[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256622470 HRNFBUMRDWIKAZ-KGLIPLIRSA-N 432.330 2.184 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267197371 KQEGTCAMGQQNSN-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267281318 UXBDHLONABOBAE-NNZMDNLPSA-N 443.353 2.224 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267491247 ANLDUSNIUWPSGB-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267505883 OZLXEYPNXHRPET-IEBWSBKVSA-N 438.381 2.217 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267528159 QHMPVUGTPFMCAP-OAHLLOKOSA-N 446.357 2.228 30 10 IEEE C#C[C@H](C)N1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 2300091523 JWRUYLCFNSUGES-PZJWPPBQSA-N 428.577 2.178 30 10 IEEE CCCOc1ccc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1Br 2323028621 GVUFXEWPNRGARI-UHFFFAOYSA-N 441.307 2.378 30 10 IEEE O=[N+]([O-])c1cc2c(cc1C=Nn1c(SCCCO)nnc1[C@H]1CCCO1)OCCO2 2330992507 SCIUDOKVACNSLR-CQSZACIVSA-N 435.462 2.166 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(OC)c(OC)c1 2331570980 VBSMRCCCPIOGPO-UHFFFAOYSA-N 445.501 2.325 30 10 IEEE CC(C)(C)OC(=O)N1CC(C(=O)C#Cc2ccc(Br)cc2)(S(C)(=O)=O)C1 2351763405 MSUXOEWSNYHCEL-UHFFFAOYSA-N 442.331 2.404 30 10 IEEE C[C@H](C#CC(=O)O)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2366839173 YPZPLEVSWWJPDE-IUODEOHRSA-N 439.306 2.478 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)cc1 21324701 JOBMCAIKLMHIQY-YDZHTSKRSA-N 426.506 2.353 30 10 IEEE COC(=O)c1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCCO)C2=O)cc1 59446365 GPPBJHIKLDFFEM-QGZVFWFLSA-N 427.482 2.108 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]34O[C@H]4C[C@@]21C 141785647 ZSDUSKSIXJMQRS-JLDMDPDRSA-N 432.488 2.483 30 10 IEEE COc1ccc(CN2C(=NC(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254393697 RMAZZUUXNXXLIX-BBRMVZONSA-N 426.560 2.347 30 10 IEEE N#CC1(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CCN(Cc2ccccc2)CC1 479213125 ISFUIUZUQLBWIE-UHFFFAOYSA-N 438.553 2.415 30 10 IEEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482563466 VXRINVTYCZYFED-MRXNPFEDSA-N 447.541 2.408 30 10 IEEE COc1ccc([C@@H]2[C@@H](C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC(=O)N2C)cc1 489208328 SUJOQVQBDLXMDA-QNWVGRARSA-N 446.507 2.004 30 10 IEEE CCCCn1c(CCC(=O)N[C@@H](C#N)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 505932931 DJENFEFAELZPSZ-SFHVURJKSA-N 431.562 2.438 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCCc1ccccc1 508829776 VQTDKODLUUSSJC-IBGZPJMESA-N 433.578 2.256 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508951569 MYCWHSJMCPEZLQ-UHFFFAOYSA-N 449.603 2.161 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 515126753 GECCLLOLPGTSQP-IAGOWNOFSA-N 444.557 2.090 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 540601978 BDGPOHWABMMWIW-SIBFUHKCSA-N 442.545 2.452 30 10 IEEE COc1ccc([C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)N(C)C)cc1OC 546220690 STPWQFRIPFUBIO-IBGZPJMESA-N 438.532 2.105 30 10 IEEE C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 549685997 RBJRAOAGNLCMTB-FQEVSTJZSA-N 427.597 2.091 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)N(C)Cc2ccccc2)CC1 558989003 GSVLIHXATMBADH-HXUWFJFHSA-N 440.548 2.316 30 10 IEEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCCOc1ccc(C#N)cc1 561579799 OANWZOYRLJMYAT-UHFFFAOYSA-N 436.921 2.177 30 10 IEEE N#C[C@H]1CN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CCN1Cc1ccccc1 567243750 KFXASWZCWUBZKP-VXKWHMMOSA-N 447.539 2.086 30 10 IEEE COc1cccc(N2CC[C@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)c1 608826005 XFFHBGBCQPWEEZ-LJQANCHMSA-N 427.526 2.124 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 613960160 JQMFLKOXYJVSMG-UHFFFAOYSA-N 427.574 2.028 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2C[C@@H]2CCCO2)cc1 619853002 RKPYIBWFAQHHCP-FQEVSTJZSA-N 435.532 2.334 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2ccccn2)cn1 730145052 VZZLAQYNHCGBSJ-QAPCUYQASA-N 443.577 2.059 30 10 IEEE CC(C)(C)CN(CCC#N)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 731848597 VYZJMYQIGVRSOT-YVLHZVERSA-N 432.590 2.393 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)ccc1F 733959527 VAEQNBUYULZVRY-UHFFFAOYSA-N 431.449 2.007 30 10 IEEE COCc1nc(OC)c2c(C)c(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)sc2n1 734292799 GSDAYUUMRURYLY-UHFFFAOYSA-N 446.510 2.454 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)CCN1C1CC1 735194093 FTYGMKLLXLIXCV-PKHCJMHPSA-N 442.585 2.405 30 10 IEEE CN(CC(=O)OCc1cc(Cl)ccc1OCC#N)C1=NS(=O)(=O)c2ccccc21 735339152 BUHGKSQANKXHPL-UHFFFAOYSA-N 433.873 2.366 30 10 IEEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCN1C1CC1 741565199 SEAJHTCUMCVAFZ-MJGOQNOKSA-N 427.574 2.137 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)[C@@H](C#N)C1 754380965 XZNYEZVDOURYAM-JEJOPICUSA-N 434.518 2.043 30 10 IEEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 758700968 CWMXIOKMKQLNGA-HYEKCJMVSA-N 427.288 2.243 30 10 IEEE C#CCN(C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 769533330 FPQXWGIVPHEMDN-IRXDYDNUSA-N 431.480 2.140 30 10 IEEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771449702 ZALQRCXMPBIHME-WAIKUNEKSA-N 445.516 2.127 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)c2)s1 807247775 FMTMLVQDXLRIKX-LJQANCHMSA-N 438.553 2.226 30 10 IEEE CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccsc2)[C@H]1n1cccn1 814711069 BWZJYOSRBWNNHI-KLZNWCGWSA-N 433.559 2.431 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)cc2C1=O 921199965 PYAYODXGWBJRTL-DEOSSOPVSA-N 446.463 2.057 30 10 IEEE C#CC[C@@]1(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CCCN1C(=O)OC(C)(C)C 1130218769 IHQADROESXMENI-ZHRRBRCNSA-N 448.541 2.131 30 10 IEEE COc1ccc(CCN2C[C@@H](C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2=O)cc1OC 1132852913 HDDJRYBLEMKHNG-SFTDATJTSA-N 433.508 2.250 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)ccc1F 1134695430 BDHFKFHHVYGYIE-LJQANCHMSA-N 448.472 2.039 30 10 IEEE N#Cc1cn(CCNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)c(=O)nc1O 1148392670 DLAHQGNOHTZZAB-UHFFFAOYSA-N 449.492 2.053 30 10 IEEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1(CNC(=O)OC(C)(C)C)CCC1 1158918484 CTJKEIAHBZJMDH-UHFFFAOYSA-N 435.546 2.379 30 10 IEEE CC(C)(C)OC(=O)NCCCOC1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1192042406 MCASLFGFFGJIEN-SFHVURJKSA-N 425.570 2.454 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)cc1 1216704606 ASSZHIUUXNGCCM-BFUOFWGJSA-N 439.501 2.009 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286388761 VHRFUQKOQHHJGP-SFHVURJKSA-N 446.573 2.253 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286455541 FVWYPCIIZITOLL-KRWDZBQOSA-N 431.537 2.216 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1286523531 YCRYKAWAVVKVIK-DYESRHJHSA-N 428.562 2.070 30 10 IEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286702076 FUNLXNNHELXAFB-UHFFFAOYSA-N 432.532 2.051 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286752584 AERCZYQJZBWVRD-GOSISDBHSA-N 426.546 2.277 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(C)C)C1 1286782184 NBDHCJCVCJZSCE-KRWDZBQOSA-N 431.562 2.133 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1286969603 QNZCOMSTGLIXTH-PKOBYXMFSA-N 425.537 2.048 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3C3CC3)cc2S1(=O)=O 1289275119 WUCGUUQSABZTKV-UHFFFAOYSA-N 425.466 2.479 30 10 IEEE Cc1cnn(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)c1 1290278770 BYWDCVLKXITILK-INIZCTEOSA-N 427.534 2.292 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291496792 OQRZFWBNKPQTBT-FETPVOERSA-N 428.537 2.181 30 10 IEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccsc1 1297288582 YKFUWFPFXNUIQH-INIZCTEOSA-N 438.561 2.496 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300504894 VKTFDSRYYPDPLK-BQFCYCMXSA-N 432.521 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ncn(-c2ccccc2)n1 1300541155 MNSUUIGPFKDDCX-UHFFFAOYSA-N 428.525 2.336 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN(C(C)=O)C1 1300673661 UGAUDJKIYJJKEP-SFHVURJKSA-N 445.514 2.492 30 10 IEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1301050815 DUYCUJDFFMYGEY-OAHLLOKOSA-N 447.923 2.224 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301491517 SARRQDCVSCYPSN-UHFFFAOYSA-N 429.525 2.069 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1301499722 DUSDXDITWMWTIW-WMZOPIPTSA-N 431.924 2.316 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(Cl)c1 1302095090 CIZUCINSWUMZMT-YJBOKZPZSA-N 435.912 2.463 30 10 IEEE CC(C)CCN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1303057817 OJCJHPWNFZSRNI-QQMHEVNUSA-N 428.537 2.323 30 10 IEEE C#CCN1CCC(NC(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)CC1 1303793292 ZWBJJFLPUKIGKZ-UHFFFAOYSA-N 433.512 2.324 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)c1 1309696265 IMNQSMOXRNPMTO-LJQANCHMSA-N 429.542 2.164 30 10 IEEE C#CCN(C(=O)NCCCNC(=O)c1ccc(Br)cc1)C1CCN(C)CC1 1311845770 DJWQNQYCKXDEST-UHFFFAOYSA-N 435.366 2.308 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(-n3cncn3)c2)CCOC1 1314073142 BMKSSVSFQGUFBQ-JTSKRJEESA-N 436.520 2.298 30 10 IEEE N#CCCN(CC1CC1)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1316536961 VUTVNKBPLGHMAL-UHFFFAOYSA-N 449.602 2.000 30 10 IEEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 1318042668 FKTJIDYWUSKFPG-QMMMGPOBSA-N 439.540 2.310 30 10 IEEE Cc1oc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1S(C)(=O)=O 1357543028 GXHGDLCLULOBKB-LVZFUZTISA-N 439.515 2.057 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1358920143 SZQHSRBSMSMZHZ-QAPCUYQASA-N 435.525 2.019 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1358920671 FHEIWBFIPDBSCB-UYAOXDASSA-N 425.533 2.400 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCC1 1358976533 HRUJEKXAHKOPHJ-UHFFFAOYSA-N 430.512 2.053 30 10 IEEE C#CCSCCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359049125 ILEXYTBXOZWWFR-WSTZPKSXSA-N 432.638 2.147 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1359095906 UGLRTXGIGULHFB-LAUBAEHRSA-N 443.523 2.360 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCN(C(C)=O)CC2)CC1 1359162587 WIEKTJYPWLJWGL-UHFFFAOYSA-N 429.956 2.314 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359240444 ONNFKIZLJMRDMI-GOSISDBHSA-N 441.561 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)C2CC2)CC1 1359297258 KNGBQFUVFFXKES-UHFFFAOYSA-N 442.951 2.349 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359306240 ZXXVUHCYEHQJPN-FCHUYYIVSA-N 435.569 2.016 30 10 IEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1359494071 KBSFFQQZKOGEBJ-UHFFFAOYSA-N 449.515 2.442 30 10 IEEE Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)ncc1C#N 1437476379 CRKWDZPTXPDTBW-HIFRSBDPSA-N 440.422 2.255 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ccc(F)nc3)CC2)s1 1447700112 GJWUIYQRGZAWEJ-UHFFFAOYSA-N 439.534 2.359 30 10 IEEE C=CCC[C@@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OCC 1463725154 FPTNNYDEIRZMRO-CYBMUJFWSA-N 434.308 2.495 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1468183956 REJSMXBOUZBHIV-KBPBESRZSA-N 435.949 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(CC(N)=O)cc3)C2)C1 1468639732 PNEUDHYCFHUNIF-FRIYVGAWSA-N 426.517 2.117 30 10 IEEE C#C[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1470662126 BYRUETYRWSDYRL-HOTGVXAUSA-N 428.352 2.237 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1492492562 CNSRJYJZFXIBDZ-UTKZUKDTSA-N 447.536 2.318 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCSC3)CC2)c1C#N 1492727793 ICQUNMIDOPCYHT-KRWDZBQOSA-N 428.610 2.470 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1503369669 HMRFISRKIABZGZ-UHFFFAOYSA-N 446.559 2.335 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1503476824 PLZVFCBSFKMWJU-ROUUACIJSA-N 437.504 2.016 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1504761091 DBOIMPFUIVALAD-FCHUYYIVSA-N 435.569 2.236 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1507522070 FKKHHOHQUXDJTP-CYBMUJFWSA-N 442.321 2.319 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CC 1507530327 XKWTYDHQQBQESD-SJORKVTESA-N 429.594 2.180 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 1507602983 RXSUKLZDZIICSL-QGZVFWFLSA-N 444.967 2.305 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1507626928 HMBQWRIIZXGGSM-OAHLLOKOSA-N 440.928 2.401 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(C)cc(OC)c1 1507701755 AVJBNKQMIZDWRO-UHFFFAOYSA-N 434.500 2.377 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1507815096 AKWKSZHLFGKMSS-UHFFFAOYSA-N 433.582 2.037 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1507882158 WTMMEORQABNRHY-NFBKMPQASA-N 433.597 2.443 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nnn(C)n2)C1 1508118777 YOTGNTZRSHWBHU-YOEHRIQHSA-N 444.927 2.425 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1508161104 KXCXMMIAXUIFMK-MRXNPFEDSA-N 445.549 2.331 30 10 IEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1508189408 VNEXXAMGPHGRCW-OAQYLSRUSA-N 433.560 2.383 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)cc1C 1510932933 DISFOXVMWBOSKR-QFIPXVFZSA-N 439.495 2.115 30 10 IEEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 1529289732 IIUNENVOKQXCKO-IEZWGBDMSA-N 433.530 2.361 30 10 IEEE CC[C@@H](C#N)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1530064565 JLXPWJHUIZWIJV-ZDUSSCGKSA-N 428.898 2.409 30 10 IEEE Cc1nc(=NC(=O)c2cncc3nc(C(F)(F)F)n(C)c23)n(-c2ccc(C#N)cc2)[nH]1 1530698775 DCPCLQJDULLDJI-UHFFFAOYSA-N 426.362 2.422 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)CCCCOc2cccc(C#N)c2)C1 1536921408 IIDCWVIOXOMEAZ-UHFFFAOYSA-N 442.516 2.055 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1539026331 UISUHOQVEUITIA-DFQSSKMNSA-N 427.597 2.485 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)nc(N2CCCC2)c1 1539237975 ORNONRAUNHLOAN-VWLOTQADSA-N 448.571 2.355 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539557336 QVAKEUKRTHVVAS-NTKDMRAZSA-N 437.544 2.289 30 10 IEEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)CC2)cc1 1540371226 XDUKSYUIQQIUFR-UHFFFAOYSA-N 431.456 2.064 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ncn(C)n2)CCOC1 1541716398 CJHCYVDLGITOAB-QFIPXVFZSA-N 436.520 2.004 30 10 IEEE C=CCCn1cc(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)nn1 1542170358 WTOFLOFITZNZPL-UHFFFAOYSA-N 443.504 2.402 30 10 IEEE COC(=O)C1CCC(NC(=O)CCCOc2ccc(C#N)cc2OC)(C(=O)OC)CC1 1544679030 SVWKNSAFDIMAPP-UHFFFAOYSA-N 432.473 2.117 30 10 IEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCSC1 1548326015 BOMFPQGIGOPNNW-SFHVURJKSA-N 448.618 2.430 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)C1=O 1556383458 RFONRLPXHSTKML-SBUREZEXSA-N 435.565 2.164 30 10 IEEE CCOC(=O)CON=C(C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1)c1cc[nH]n1 1557242661 WZPAYYSEECWOKF-UHFFFAOYSA-N 440.378 2.398 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1557528768 JTYROMBPRDBUDH-GMBSWORKSA-N 441.500 2.070 30 10 IEEE C=CC1(CC(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1558299018 NDBOTEWPMYLFKR-AWEZNQCLSA-N 433.509 2.458 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643207 PJSDERHKYWHRKC-ZGPJWRFFSA-N 439.578 2.247 30 10 IEEE COCCOc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1Br 1558659668 QJDNVKBYLQTUBZ-ISLYRVAYSA-N 438.278 2.329 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC)C(C)C 1562143158 QNVUNLJGDXMVSL-GOSISDBHSA-N 436.578 2.333 30 10 IEEE C=C(C)CN1CCC(NC(=O)N2CCn3ncc(I)c3C2)CC1 1563953498 NAUSIORFMABXPS-UHFFFAOYSA-N 429.306 2.053 30 10 IEEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CCC1 1564947193 HDJVFRYGHOXBFE-UHFFFAOYSA-N 441.351 2.159 30 10 IEEE CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1565657326 NSXMPNICFACEBZ-IXDOHACOSA-N 441.594 2.445 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)cc1 1566345456 BYUKJYNAOQQPIY-KRWDZBQOSA-N 437.562 2.411 30 10 IEEE CN(C)CCN1CCC(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1585149914 LDVVMIVTVFWOLK-VIHQBZHPSA-N 447.624 2.163 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)s1 1587263332 IPYJBCYPVPZNBY-UHFFFAOYSA-N 431.580 2.174 30 10 IEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OCC(N)=O)CC1 1587843051 ZQDDVZNASPSGJQ-UHFFFAOYSA-N 433.516 2.015 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1587851736 OFQWIOCESHLNCM-LJQANCHMSA-N 438.532 2.251 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1587856409 KUNUVPPXDQBCTK-MJGOQNOKSA-N 432.546 2.372 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1588045284 IWQJCCUVQSDYSG-GCJKJVERSA-N 430.574 2.431 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCOC[C@@H]1OC 1588253614 BFTRSOXOKGQGHO-KNQAVFIVSA-N 438.528 2.380 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccs2)CC1 1588864548 FTVMIQULTLWIRQ-UHFFFAOYSA-N 440.598 2.329 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC[C@H]2CCCCO2)CC1 1588877119 VXYYHGSONPVQOB-HBMCJLEFSA-N 431.581 2.107 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@](C)(O)c2ccccc2)CC1 1588954381 GQRUKXXICGFDJT-VWLOTQADSA-N 435.572 2.494 30 10 IEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1589708152 DHGCFRBOULEFCU-QGZVFWFLSA-N 443.577 2.346 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1593782096 GMYFJYXJRVKBCA-AZUAARDMSA-N 440.548 2.272 30 10 IEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1594634890 QHPRAKVDXAEKIM-UHFFFAOYSA-N 432.594 2.480 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1594679709 HYXMOIVVMMLRLI-GOSISDBHSA-N 432.594 2.490 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1594693248 VAXZSROYVQTXPC-OAQYLSRUSA-N 432.546 2.311 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2C)CC1 1595523362 VBQJZOQAQYSZNT-UHFFFAOYSA-N 431.544 2.273 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1595772793 HCMRBNRNMYLHCP-GOSISDBHSA-N 429.546 2.280 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC=CCC1 1608571466 GQQIEWHPILEFIL-SFHVURJKSA-N 434.548 2.366 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)c(Cl)c2)CCOC1 1616260539 CMOSRCHVUVBKIX-YWZLYKJASA-N 435.887 2.500 30 10 IEEE N#Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(CCO)CCOCC(F)(F)F)o1 1620351261 UIDJDIXOJZMQSV-CQSZACIVSA-N 443.426 2.063 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1622158947 UOPIBSOLEPODSO-MSOLQXFVSA-N 428.576 2.182 30 10 IEEE C[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)N1CCN(c2ccccc2)CC1 1624672961 NLLJHPYNHKPBGO-KRWDZBQOSA-N 444.532 2.063 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(C)n(NC(N)=O)c2C)n1 1626530243 RGDUNTDTBDTRAI-UHFFFAOYSA-N 432.535 2.093 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 1627794482 RERUONDCZKPNMH-ZBFHGGJFSA-N 443.547 2.081 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc2[nH]cc(I)c2c1)C(=O)OC 1634063386 JEKGURLSYQSWNU-AWEZNQCLSA-N 428.226 2.247 30 10 IEEE CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)CC2 1636585982 DZPDIOUOIRNXSE-VXKWHMMOSA-N 426.561 2.484 30 10 IEEE Cc1ccc(CN2C[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1 1639050255 SSWNWYZSKLPRFL-SFHVURJKSA-N 435.480 2.248 30 10 IEEE N#Cc1cc(Cl)ccc1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1640956967 DWCRTYKLLSAGFG-HZPDHXFCSA-N 428.963 2.498 30 10 IEEE C[C@@H](c1ccccc1)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1643065414 CECUZFDLRCRSDZ-SFHVURJKSA-N 440.569 2.411 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1ccc(C#N)cc1OC(F)F 1643858358 YTRNPVLPCZBGTP-FQEVSTJZSA-N 427.448 2.248 30 10 IEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C[C@@H](O)CC3(C#N)CCOCC3)C2)cc1 1644925128 LGAOTWJUZFVASJ-PMACEKPBSA-N 435.590 2.057 30 10 IEEE C[C@H]1CO[C@H](C)CN1CCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 1645219656 WUYXFPIWLNYDQI-JKSUJKDBSA-N 426.477 2.211 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C(=O)OC(C)(C)C)C1 1653766075 HBZUZVZRPRKZIV-INIZCTEOSA-N 435.546 2.084 30 10 IEEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1681355373 FOHLHIZEZDDHBJ-UHFFFAOYSA-N 448.570 2.072 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)C2)nc1 1685867408 MZIMSIRISGNUAG-WOJBJXKFSA-N 433.516 2.125 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1689966446 RWUXEKCHBOUVGU-KRWDZBQOSA-N 429.546 2.014 30 10 IEEE C#CCN(c1nnc(C)n1CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689979451 BGHFKMIVEFXNTD-HXUWFJFHSA-N 446.548 2.101 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnc(C)s1 1690013716 ZRSNXFWELGBIPE-UHFFFAOYSA-N 429.509 2.078 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690045297 IQMLWQQEKUJPKY-NRFANRHFSA-N 440.569 2.228 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCN(CCC)C2)CC1 1690144044 KFSIMZBDPFUEMK-FQEVSTJZSA-N 449.603 2.346 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1690595596 ZXYOTNCDLNDBSM-UHFFFAOYSA-N 434.552 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1690668237 XWMPFZGTYDGTLK-MJGOQNOKSA-N 439.564 2.164 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690723437 RPOMKZWCEOTZST-UHFFFAOYSA-N 444.483 2.382 30 10 IEEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690746527 BQJOIZCEYXCWEV-UHFFFAOYSA-N 448.637 2.057 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1696693012 PBCHWCPATSOLDL-HNNXBMFYSA-N 429.477 2.469 30 10 IEEE COC[C@@H]1CCCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697844396 XZHVFAWXUZQEAL-QQMHEVNUSA-N 428.537 2.325 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1698063812 LZLZQDFZOYTISY-LJQANCHMSA-N 435.532 2.375 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705573799 OEXSSPSJYQIVRU-OALUTQOASA-N 445.564 2.474 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2C)CC1 1705643632 NEBFJYIXKQNRNM-UHFFFAOYSA-N 448.571 2.145 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CC=CCO2)CC1 1705650445 RSNFJLMJLUPCIP-OAQYLSRUSA-N 437.519 2.319 30 10 IEEE C=C(Br)Cn1c(COCC)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705690771 HLALBNWHBMHOAG-UHFFFAOYSA-N 448.321 2.456 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705700440 TZWMCIDSQHIZMT-MOPGFXCFSA-N 437.610 2.292 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COCC)C1 1705904291 LOENWMWCXFGTDV-XLIONFOSSA-N 441.532 2.346 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)CC[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1705938541 BOVIIMPSQGFWET-FUHIMQAGSA-N 426.583 2.156 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1OCC[C@H]1C 1706626198 FFNCDMJDINFXEF-AHRSYUTCSA-N 438.532 2.291 30 10 IEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)n1 1707732043 CAXKSEAOCQMUOK-HNNXBMFYSA-N 437.529 2.209 30 10 IEEE CCOCCOCc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1710846362 IDXBFLDYPBSWAR-NHCUHLMSSA-N 441.532 2.460 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCOC1 1722390043 AFRKMKCTCZOGMA-NTKDMRAZSA-N 438.528 2.431 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(C)(=O)=O 1722406873 ABMUKGVUBMJZOO-UHFFFAOYSA-N 441.351 2.220 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1722449126 MXNPZWVMJBBYSO-OAQYLSRUSA-N 426.609 2.317 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722581517 DHJSZRDNRYFYFC-QWHCGFSZSA-N 439.504 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(c2nccs2)CC1 1722726532 FUAOQFIUZXCQGI-UHFFFAOYSA-N 436.607 2.320 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1723655569 HTCQGBXHTTWBRG-UHFFFAOYSA-N 444.543 2.326 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1724010762 MJDJOWIOKORFDN-HTAPYJJXSA-N 439.495 2.126 30 10 IEEE CCc1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)s1 1727437385 APDBXGUAMKEHHO-UHFFFAOYSA-N 436.545 2.345 30 10 IEEE COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cc1 1730144869 VQSZLYAFSBOTSY-MRXNPFEDSA-N 441.513 2.338 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCCOCC(F)F)c1 1731183066 RBENUSOVJUCTTF-IRXDYDNUSA-N 430.459 2.203 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)no1 1740537899 IZJOFAFPTIFOSH-CQSZACIVSA-N 427.534 2.349 30 10 IEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616351 ZJDUOAYASMMVPX-GOSISDBHSA-N 447.605 2.111 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccs1)N1CCOCC1 1740641239 HIRCFKGIGHCJMQ-NRFANRHFSA-N 446.580 2.472 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cccc(OC)c1 1740655168 ACZGDGYGUAVSDA-FQEVSTJZSA-N 435.528 2.074 30 10 IEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1740717557 VRYFUOZCXNUJJO-LJQANCHMSA-N 441.557 2.119 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740744450 UDTFRDDGYOYMGN-BZUAXINKSA-N 427.343 2.465 30 10 IEEE C=CCCOCCn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1740888706 RUDZWZZYCXIOAX-UYAOXDASSA-N 432.613 2.157 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740971816 XSJFNDUZKPUAQS-UHFFFAOYSA-N 438.576 2.198 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1741813695 VHLLHOPZQNAOPE-MAUKXSAKSA-N 426.521 2.244 30 10 IEEE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1747542012 CDMXVDHDSTYEGH-GOSISDBHSA-N 438.532 2.180 30 10 IEEE CNC(=O)c1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)cc1 1748153512 XQYNSAYNSRHGEG-UHFFFAOYSA-N 447.499 2.023 30 10 IEEE COc1ccc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1748732699 GHZBLSQRLYYWCE-UWJYYQICSA-N 447.536 2.264 30 10 IEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1748764005 FOFLIYCDFTVHPW-SJORKVTESA-N 444.536 2.404 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(F)(F)Br)CC1 1748993611 FGHRQEZQJZCJEK-UHFFFAOYSA-N 445.337 2.377 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2sc(C)nc2C)CC1 1749010150 OHNBDFMASOJRKK-SFHVURJKSA-N 442.589 2.260 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749028019 XAOWPRRDESSHOF-UHFFFAOYSA-N 437.591 2.073 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1749033822 NIMNOJPZCDPZOP-INIZCTEOSA-N 446.527 2.200 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1749044867 XEBBRAGANRLWNA-UHFFFAOYSA-N 427.574 2.371 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](n2cncn2)C1 1749087995 YZHKWNYBUCEZBF-GJZGRUSLSA-N 440.346 2.344 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](OC)C2)cc1 1749683014 GQKUMNRNGYVVTE-QFBILLFUSA-N 449.577 2.117 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C1 1750197340 FIOZSAMRYSEWMU-ZWKOTPCHSA-N 447.586 2.248 30 10 IEEE CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1750756584 GQLSHFOQDQWQIK-UHFFFAOYSA-N 439.564 2.124 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@]3(O)CCC[C@H]3C)CC2)c1C#N 1751827425 IEQBRXNGECMOKR-ZHRRBRCNSA-N 426.569 2.193 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Sc1ccccc1 1760194691 OIZWBJVDJRJHSM-IAGOWNOFSA-N 431.587 2.142 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(CC)nn(C)c1OC 1760199516 XSQOVFHWZZXVTE-UHFFFAOYSA-N 448.527 2.388 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1760224897 CLXYDUWRKYIGOZ-LLVKDONJSA-N 446.396 2.220 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1760259639 OFPWRMOYSNNCBO-SFHVURJKSA-N 432.569 2.190 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1760260520 VXYGUFGLJYACMA-VXKWHMMOSA-N 449.603 2.068 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760525219 XXVFASVUBDDHTL-HNAYVOBHSA-N 431.487 2.455 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCCC1 1760686950 CSYPJHSEVPGGSM-KRWDZBQOSA-N 438.536 2.314 30 10 IEEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1761547170 UZWISMLFFIYZBJ-QGZVFWFLSA-N 448.618 2.484 30 10 IEEE C[C@@H]1C[C@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1762734653 HUZSAXRJHXNQLJ-IAGOWNOFSA-N 429.546 2.257 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(-c4cccnc4)n3CCCCCCO)CC2)nc1 1771533756 YCZAWABZDFYXMI-UHFFFAOYSA-N 432.532 2.486 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1CC1(S(C)(=O)=O)CC1 1772516443 NJCXSXSAHPPQOO-UHFFFAOYSA-N 440.569 2.460 30 10 IEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@@H]1CCN(C)C1=O 1848748375 PDPVDMIGXPDNAY-CQSZACIVSA-N 445.994 2.048 30 10 IEEE Cc1cc(C(=O)N2CC(C(=O)N3CCCc4nc(C#N)cc(Br)c43)C2)no1 1849738981 CDPWBKJTZBGVMJ-UHFFFAOYSA-N 430.262 2.064 30 10 IEEE N#Cc1cc2c(cc1CC(=O)N1CCN(c3ccc(-c4ccncc4)nn3)CC1)OCO2 1853392228 GGFPDCRWVRBETE-UHFFFAOYSA-N 428.452 2.030 30 10 IEEE C=CCC1(S(=O)(=O)N(Cc2ccc(F)nc2)[C@H]2CCc3nn(C)c(=O)cc3C2)CC1 1853499090 UQANKIJSRNFJQJ-KRWDZBQOSA-N 432.521 2.112 30 10 IEEE COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O 1870100258 ACMCAIJSBKWAHA-UHFFFAOYSA-N 449.858 2.209 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1ccccc1C(=O)O 1874313405 SQAXHYDXUFPGCT-FSJBWODESA-N 439.497 2.230 30 10 IEEE C[C@H](C#N)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883390520 GHHIJGRNNFISFY-YJYMSZOUSA-N 428.466 2.305 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1ccc(C#N)cc1 1889320551 ZLZWHTIILYTDMY-SFTDATJTSA-N 428.558 2.080 30 10 IEEE CN[C@@](C)(C#N)CCn1c(C)nc(I)c1I 1936399791 OOAAKFLERZAXGN-SNVBAGLBSA-N 444.058 2.293 30 10 IEEE C#CC[C@H]1COCCN1C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2009793706 KXPACWUQISXFEN-OALUTQOASA-N 430.501 2.264 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2011760181 UDGPYXAIIKMJCD-INIZCTEOSA-N 439.553 2.286 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060635891 QJJZXPGUFMPPAT-IZKTWJBDSA-N 434.342 2.171 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637525 LYLVFTBCOKKXRM-HNNXBMFYSA-N 430.314 2.021 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659843 NKJFLBKYAMZZLM-QLPKVWCKSA-N 429.326 2.432 30 10 IEEE CO[C@H]1C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C1 2141674584 NBLQYPVFALXKMB-JKSUJKDBSA-N 447.341 2.344 30 10 IEEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2174778861 BWGVLIQJYCHLJP-MRXNPFEDSA-N 433.461 2.013 30 10 IEEE COc1c(I)ncnc1OCCC#CCNC(=O)OC(C)(C)C 2210522953 DXRMTTVCTUEVSK-UHFFFAOYSA-N 433.246 2.387 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227490426 HODZGRVCAPXXDR-CRAIPNDOSA-N 443.363 2.210 30 10 IEEE CC(C)(C)OC(=O)NC1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2247832214 LKKMSJRVHQNWMD-UHFFFAOYSA-N 437.733 2.383 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2247930051 QMODYDYHPHTUSI-UHFFFAOYSA-N 438.355 2.071 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248403376 DEGYWUFVCKSAPT-BETUJISGSA-N 437.371 2.362 30 10 IEEE C[C@H]1O[C@]2(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2254810716 LBWVGESNEAKLPD-VRUJCXGUSA-N 440.544 2.438 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2255544605 BYZOUFGTSKZANC-HOTGVXAUSA-N 432.326 2.422 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)C#CB1OC(C)(C)C(C)(C)O1)CO2 2255602956 ZHPIHMZHPVVJKO-INIZCTEOSA-N 434.342 2.296 30 10 IEEE CC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC(NC(=O)OC(C)(C)C)C1 2255620189 XCQPHDWQKMGBDI-UHFFFAOYSA-N 434.346 2.132 30 10 IEEE CC[C@H](CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255634018 KUUAPPRFUKSKMY-CQSZACIVSA-N 436.362 2.061 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 2255830621 ITYDNRVYWPIMBV-OLZOCXBDSA-N 436.362 2.059 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267147575 VTKFFFRVZPILRB-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CCn1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2267185380 UPCSRRPPNBMEMU-HNNXBMFYSA-N 448.373 2.235 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO[C@H]1C2 2267279533 IIUAPZSCBIDAAT-XUHFEKCNSA-N 448.325 2.133 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267505380 HNNDYJLOHBFLKQ-OAHLLOKOSA-N 448.373 2.474 30 10 IEEE Cn1ncc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2267512582 HJSDYDVVABSUBU-UHFFFAOYSA-N 448.373 2.287 30 10 IEEE Cc1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)oc1B1OC(C)(C)C(C)(C)O1 2267525524 FSHVUSXXFWCZCR-XMMPIXPASA-N 440.349 2.254 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267802800 XSAGGTHGZMFYJR-LFVRLGFBSA-N 444.337 2.431 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2278702626 UGNOEIZEYCKDQX-GOSISDBHSA-N 448.369 2.450 30 10 IEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2296221430 IPFRHUJZKFJBBU-BZSNNMDCSA-N 439.350 2.385 30 10 IEEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 2296610048 UWCFIGCVNQJRRU-LJQANCHMSA-N 444.919 2.434 30 10 IEEE CCOC(=O)C(=O)NCc1ccc(C=C2C(=O)C(C(=O)OC)=C(C)N2c2ccccc2)o1 2296673544 KIGQCMMNTYEGTE-UHFFFAOYSA-N 438.436 2.336 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300341460 ZIVWVDAFJSTTSX-TZMCWYRMSA-N 437.371 2.475 30 10 IEEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315532316 GGYSIXMRCFECAD-UHFFFAOYSA-N 426.370 2.360 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2331230325 JCCFICGMJSROIM-BPUTZDHNSA-N 444.341 2.360 30 10 IEEE NN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(I)c(Br)c1 2341622221 CIYNAGLEXBMWMR-NJBDSQKTSA-N 433.087 2.454 30 10 IEEE CN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)CCC#N)cc2c1=O 6181051 LYULPSHLDFKUAL-UHFFFAOYSA-N 438.509 2.334 30 10 IEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccnc(NC(C)=O)c2)cc1 71565262 FHZDRWCKTUUYIP-UHFFFAOYSA-N 433.490 2.285 30 10 IEEE CCN(C/C(N)=N/O)S(=O)(=O)c1cc(Br)c(C)cc1Br 155814775 PVJAQQUQHRYVMA-UHFFFAOYSA-N 429.134 2.277 30 10 IEEE CS(=O)(=O)N1CCCN(Cc2ccccc2C#N)CCNC(=O)C[C@@H]1c1ccccc1 257186959 LAYSGLGQOSJKSU-JOCHJYFZSA-N 440.569 2.273 30 10 IEEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 409502179 NQEPHMWDTFUUNN-WBVHZDCISA-N 430.534 2.178 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCn2nnc(Cc3ccccc3Br)n2)c1 432745794 DZQPYNLOQIAPTN-UHFFFAOYSA-N 432.303 2.372 30 10 IEEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 441047988 HUHQITDZUONFRJ-KBPBESRZSA-N 436.545 2.084 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 460644253 AEGITUXKEHUHTR-UHFFFAOYSA-N 441.557 2.249 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cnn(-c3ncccn3)c2)CC1 467719514 BPTVPWNPXKXDQE-UHFFFAOYSA-N 425.456 2.436 30 10 IEEE CN1CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1C#N 474783794 MRQRXYVYWZVMRQ-JTQLQIEISA-N 434.075 2.333 30 10 IEEE C=CCCCNC(=O)C(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 479894587 VFNOENBIFNXVGZ-UHFFFAOYSA-N 431.514 2.195 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)ccc1F 481473722 OBDTVXGNNHJIDA-MRXNPFEDSA-N 438.278 2.322 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)C2=O)cc1 487499139 LKHNADBTEHOCQB-NHCUHLMSSA-N 431.496 2.154 30 10 IEEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O[N+](=O)[O-])CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504231796 LURMPNRKWFDKMB-PMFNKGHWSA-N 449.500 2.114 30 10 IEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508870575 ABXGUAIXIWYFPX-CQSZACIVSA-N 444.446 2.264 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 508921125 XUCKKIKGUFDBQV-ZDUSSCGKSA-N 431.971 2.148 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 508998408 CWVNMMHCILOQOD-SFHVURJKSA-N 433.578 2.082 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)s1 515662648 VHYSVKVLDMKMJN-UHFFFAOYSA-N 446.557 2.266 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)s1 532417439 BZNOEQXYHMAAEU-ZDUSSCGKSA-N 432.567 2.277 30 10 IEEE COc1ccc(-c2nnc(SCC(=O)N3CCN(c4cccc(C#N)n4)CC3)o2)cc1 544835567 SBJQUAZVKXOQGT-UHFFFAOYSA-N 436.497 2.453 30 10 IEEE O=C1CN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)CCN1CC(F)(F)F 553596814 JZAZKNYOLLEXGU-UHFFFAOYSA-N 439.291 2.272 30 10 IEEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555267748 BGDSILIAEKXDFI-UHFFFAOYSA-N 448.575 2.307 30 10 IEEE COc1cc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)ccc1C#N 562178015 WNPITYWFULWBBW-UHFFFAOYSA-N 427.258 2.356 30 10 IEEE C=CCOc1ccc(NCC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1-n1cnnn1 586322502 IDTVWXXBZDNTLH-CQSZACIVSA-N 434.456 2.266 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c(F)c1 586862915 DQKPIQVXEVCRIO-UHFFFAOYSA-N 443.866 2.239 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1 729668342 GXFWIZQNNKPRRP-UHFFFAOYSA-N 432.480 2.414 30 10 IEEE C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732443868 FAZLQGJXPFYWTC-BFQBXFRASA-N 425.533 2.387 30 10 IEEE CN(CCOc1cccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)C1CCOCC1 732676528 DENYRQODSYUXDL-JOCHJYFZSA-N 441.576 2.058 30 10 IEEE C#CCCNC(=O)C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 733672815 BUCRRMJFOBSGNO-GOSISDBHSA-N 443.500 2.321 30 10 IEEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743111226 VPBVVURTXZVKKM-YBAYSFDISA-N 449.577 2.364 30 10 IEEE CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 743513271 VPQVVOXUBFQMNJ-DEYYWGMASA-N 441.557 2.462 30 10 IEEE COc1ccc(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)cc1C#N 746860480 ZODJILACWYYBTI-UHFFFAOYSA-N 430.258 2.371 30 10 IEEE Cn1cc(C#N)cc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 758577160 LJNVILOSAUVUTM-AEFFLSMTSA-N 443.548 2.265 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)c1 767856975 DUQYCXJEZFKOAP-AYHJJNSGSA-N 439.512 2.185 30 10 IEEE COc1ccc(S(=O)(=O)NCc2cc(C#N)ccc2F)c(NS(=O)(=O)C(F)F)c1 769661359 UFCHDFGDHYVCAB-UHFFFAOYSA-N 449.432 2.149 30 10 IEEE C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 769858116 HWSIKLHDNFHOAZ-VIFPVBQESA-N 437.474 2.079 30 10 IEEE C#CCN(C(=O)NCCc1cc(Cl)ccc1Br)[C@H]1CCS(=O)(=O)C1 774251723 JSIQAWFZOOYPFD-AWEZNQCLSA-N 433.755 2.477 30 10 IEEE CCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CN(C(=O)OC(C)(C)C)C1 775986699 MJHLXPYWWGQGFQ-GOSISDBHSA-N 447.605 2.398 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1 783422855 NHLZICYFOHNCIF-UHFFFAOYSA-N 448.483 2.314 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1F 787058033 HJBFSOUJMPBJHM-MAUKXSAKSA-N 438.415 2.421 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)c(OC)c2)n1 788691666 BTJDLZMUICQCIU-UHFFFAOYSA-N 442.335 2.125 30 10 IEEE COc1cccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)n1 790749509 GZKDJALLUNPYBH-MRXNPFEDSA-N 447.586 2.351 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c(F)cc1Cl 795562452 BZSNCHZNYZJXAN-UHFFFAOYSA-N 449.851 2.249 30 10 IEEE C#C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccc(F)cc1 812938584 OVLWFVRHSPOROU-SFHVURJKSA-N 425.489 2.097 30 10 IEEE COC(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)cc1F 813647988 YDTFYQPQNLRLJA-IBGZPJMESA-N 431.489 2.492 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1 813983841 FAIFITBUOWRRGU-IHPCNDPISA-N 438.509 2.232 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1-c1ccc(F)cc1 839202687 BMEZBBRLFGUWKZ-UHFFFAOYSA-N 425.828 2.447 30 10 IEEE COCc1nc(OC)c2c(C)c(C(=O)NS(=O)(=O)Cc3ccccc3C#N)sc2n1 916775312 PQHJLSOJSRCREC-UHFFFAOYSA-N 446.510 2.286 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cccs2)CC1 923144086 FXMIVJVOCWKJKE-HVEKOLDVSA-N 441.575 2.279 30 10 IEEE O=C(N=C1C=CC(=[S@](=O)(O)C(F)F)C=C1)c1cccc(S(=O)(=O)N2CCCC2)c1 1081784016 NDKOHKWVHVNBAT-UHFFFAOYSA-N 444.481 2.331 30 10 IEEE CN=[S@@](C)(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1128997335 SPEHTKDDFFBVJP-OKXSDPAFSA-N 439.497 2.488 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)n(C)c1 1132356405 IQMUOICSTBQNHM-UHFFFAOYSA-N 444.557 2.363 30 10 IEEE N#Cc1c(CCCNC(=O)CN2CSCCSC2)nn(-c2ccc(F)cc2)c1N 1141568001 ZCTRPDNBUBAXRU-UHFFFAOYSA-N 434.566 2.211 30 10 IEEE N#C[C@H](CO)NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 1157964766 YLFRRCBPFRBWFI-CYBMUJFWSA-N 435.221 2.158 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccncc1 1169736420 RMQVGAJDDSYMSL-ARFHVFGLSA-N 441.912 2.199 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H](C)CN1CCN(CC)CC1 1286380936 IWMCMEFSUYWIBR-LJQANCHMSA-N 428.556 2.339 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@H]1CCOC1 1286456282 PSHKMBZGJUHLRO-PMACEKPBSA-N 441.507 2.204 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCO[C@H]1C 1286457448 PGMGLBQUOFDEES-PNLZDCPESA-N 432.496 2.183 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1286480582 NSKIWGGAYARKEY-UXHICEINSA-N 426.565 2.213 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286556078 NFLYQJJKVSZXRB-UFYCRDLUSA-N 446.596 2.347 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1286708878 ZWGNUNLVZUHPBQ-MRXNPFEDSA-N 429.521 2.222 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1286832874 PNZDJRAEJFOJTA-QZTJIDSGSA-N 440.635 2.495 30 10 IEEE CCN(CC)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1289204384 JQPUCYZVQBSEAN-SCTDSRPQSA-N 443.491 2.485 30 10 IEEE C[C@@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CCO1 1289338872 GRQVJSHZMJVZJH-HXUWFJFHSA-N 431.539 2.250 30 10 IEEE C[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1291246730 SXVZUKYMOPNOAL-UDJKBAMHSA-N 428.537 2.466 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1295161407 DFWKSRKSGVEQHM-RXVVDRJESA-N 431.562 2.237 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1295248801 KWVLUPBTHQRUAJ-IRXDYDNUSA-N 443.552 2.411 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1COCCO1 1298325871 OWMNDINGQVKRCL-IBGZPJMESA-N 447.499 2.239 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)C1CCC1 1298327651 XJPFVXKZNBNKKF-UHFFFAOYSA-N 432.532 2.493 30 10 IEEE CN(CC1CC1)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1298522894 WPXNLAPQWDKGQH-MRCUWXFGSA-N 440.479 2.369 30 10 IEEE CNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1298947451 DEPHNDMMSAQBGK-OAHLLOKOSA-N 444.561 2.080 30 10 IEEE COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(N3CCOCC3)CC2)cc1 1300260181 BOSCGTGJPANBAA-SFHVURJKSA-N 440.548 2.469 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1300439942 NFOQCXRABUPWIV-INIZCTEOSA-N 448.545 2.008 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300495101 CSPPLNWCANIBJP-MOPGFXCFSA-N 435.638 2.368 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300500731 CNPWRMOLNQCDCS-WIYYLYMNSA-N 448.614 2.372 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1300502046 PSYYKVVWOVITPI-IRXDYDNUSA-N 436.628 2.310 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)c1ccco1 1300511867 PUQZDTCIFNEDNP-UHFFFAOYSA-N 439.479 2.431 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)cc1F 1300664273 QFOOFCFDIHSSIK-UHFFFAOYSA-N 429.427 2.418 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)[C@@H](C)CC)CC1 1300685080 FVVKEIMFETXZRQ-JTAQYXEDSA-N 433.597 2.135 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)CC1 1300881707 ATCFPHVSOKKJFF-LJQANCHMSA-N 440.573 2.397 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300896564 HBJSRPFPYPLMAO-ICSRJNTNSA-N 432.569 2.134 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1301000711 XPKNFUAIDUEHNI-HSZRJFAPSA-N 444.532 2.454 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1301499138 YLTHBTIQSOIINX-IAGOWNOFSA-N 448.568 2.173 30 10 IEEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cccc(C(N)=O)c1 1302686018 WFFDOQJVZASYQP-UHFFFAOYSA-N 444.543 2.336 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1302948338 RYGUBUMGPKINIQ-ZWKOTPCHSA-N 442.539 2.354 30 10 IEEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CCO1 1303009084 DQIBUQYLPFNLMD-JKSUJKDBSA-N 435.937 2.368 30 10 IEEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2F)CCO1 1303009110 FLAOXZOVRUGQCO-INIZCTEOSA-N 440.504 2.380 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCCN2CCCC2)n1 1304764692 YPAUIKNWKVIYDI-HXUWFJFHSA-N 426.569 2.135 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cc1 1306923849 LDHLHOQKBZSHAF-UHFFFAOYSA-N 432.433 2.319 30 10 IEEE N#Cc1cc(N2CCN(CCNC(=O)c3ccccc3F)CC2)ncc1Br 1306964686 NAKMUPOEVXNVEC-UHFFFAOYSA-N 432.297 2.407 30 10 IEEE CCN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)CCC(F)(F)F 1313816125 SNOZOLBQIJKZRV-JKSUJKDBSA-N 430.475 2.175 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(F)c1 1314387912 CBNDMFWEGYVVMX-UHFFFAOYSA-N 438.511 2.242 30 10 IEEE CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1314638144 NCRDVGSDRZPMTH-WOJBJXKFSA-N 449.559 2.038 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC=CCO2)c1 1316337457 WTEOECDOJVWDLV-GOSISDBHSA-N 427.530 2.434 30 10 IEEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CCCOC1 1349409050 RKQPZSVZBCJSBK-KRWDZBQOSA-N 432.329 2.147 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1358886653 IMBMXVMGBFAKAG-HIFRSBDPSA-N 436.438 2.266 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358963915 QADCVYBOPIHDSP-CQSZACIVSA-N 440.520 2.133 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358967899 VGDWZWXYIYFOEZ-SFHVURJKSA-N 438.594 2.038 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1358999559 VMOLSDRPPOMBNU-UHFFFAOYSA-N 431.500 2.135 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCN(CC)C2)CC1 1359038383 UOKGVTBXRYSKFY-QFIPXVFZSA-N 436.604 2.169 30 10 IEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1359080815 FNCKDVUHBOEQPK-UHFFFAOYSA-N 427.310 2.365 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359188954 XNBCIDOGVKPGBK-RTBURBONSA-N 430.597 2.127 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(F)(F)F)C1 1359291267 KEEVIUZQFQKWCG-ZDUSSCGKSA-N 430.475 2.277 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359301489 ZWCALVFKBKZASU-CALCHBBNSA-N 446.596 2.472 30 10 IEEE CN1CCc2cc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)ccc2C1=O 1437448056 AGURNLLHPGEXDI-LJQANCHMSA-N 431.452 2.030 30 10 IEEE COc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2OC)N2CCOCC2)cc1OC 1440896971 AQZBRBZBSPOFDE-LJQANCHMSA-N 425.485 2.387 30 10 IEEE O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CC#CCN1C(=O)c2ccccc2C1=O 1458939090 XZTCSDJKXYFZSZ-OAQYLSRUSA-N 441.365 2.296 30 10 IEEE CCN1CCC(N2CCCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)CC1 1466174107 CCPKSXYDURIHLP-GOSISDBHSA-N 447.605 2.396 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1499986193 CIFXVJRPARWCSW-YLJYHZDGSA-N 440.548 2.221 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C[C@@H](C)O1 1504720410 FXHNCFLEVDSZOJ-OXQOHEQNSA-N 433.516 2.398 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4CCC[C@H]43)n2CC(=O)NCC(F)F)cc1 1505317616 AGAQSFQVTWEQPO-NVXWUHKLSA-N 430.459 2.489 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCc1ccco1 1507605612 WMUAMFAHJGNLKS-UHFFFAOYSA-N 431.294 2.025 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507634340 MVSRNHHPLBHRHX-HXUWFJFHSA-N 435.638 2.225 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCSC1 1507665243 LYAKOTIQGLCRRH-QHCPKHFHSA-N 432.553 2.462 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N(C)C1CC1 1507711566 XFCWSGBUZSRTHD-UTKZUKDTSA-N 425.533 2.359 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507724168 JCNBOOPTRHRELU-LJQANCHMSA-N 440.979 2.192 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1507754418 DIHDMISUCOIWAA-OAQYLSRUSA-N 425.602 2.341 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1507811520 AXAUAUYQJROQAO-AWEZNQCLSA-N 425.530 2.487 30 10 IEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NCC)CC1 1507945792 KWQHYWGMJGHDTA-UHFFFAOYSA-N 448.575 2.355 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCOCC1 1507999814 QCGRLPXPVVEOCX-UHFFFAOYSA-N 431.500 2.196 30 10 IEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1508017823 ISMWZSQUKRUNTG-NRFANRHFSA-N 446.577 2.222 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1508089031 ICFAGFZWMCVGLU-OTWHNJEPSA-N 446.596 2.343 30 10 IEEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1508100747 ODWPOOFTHVIYSJ-LJQANCHMSA-N 431.562 2.287 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508136360 FEDTVPNQEWPPSR-SFHVURJKSA-N 432.594 2.186 30 10 IEEE Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1516183602 FTCVDEWVXKALPP-SILNSSARSA-N 439.515 2.057 30 10 IEEE N#Cc1cccc(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c1Br 1524236255 JGVNUDUKMPNZQM-UHFFFAOYSA-N 444.257 2.307 30 10 IEEE COc1nc(C)cc(C)c1CN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1530083415 ZJQZFBJNUVSIJE-IBGZPJMESA-N 435.484 2.442 30 10 IEEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 1535780373 HDJZBAMAOCPGAO-UHFFFAOYSA-N 429.498 2.349 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N(C)C1CC1 1539190556 MMSUQPRKARXMRG-OAQYLSRUSA-N 435.620 2.195 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(CCC)C1 1539190887 VUCDKEXSNSXQJZ-QHCPKHFHSA-N 449.647 2.444 30 10 IEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1539206661 UFEMAWAHRUNSEH-SIKLNZKXSA-N 448.589 2.057 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCCNC(=O)OC(C)(C)C)CC1 1539482703 OLVJIILCWYCKLE-UHFFFAOYSA-N 432.569 2.111 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539750116 HAWVRNFYFYDWAT-ZCNNSNEGSA-N 430.505 2.233 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1540074583 ZONPHURHPOOXLS-HNNXBMFYSA-N 431.628 2.155 30 10 IEEE CC(C)(C)Oc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1540728844 XYRXWAKEGNTMNZ-UHFFFAOYSA-N 428.514 2.277 30 10 IEEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1540759820 PNVOQMJXAFRUJQ-INIZCTEOSA-N 447.377 2.408 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540866937 GBDGUHHKCQPCCV-AEFFLSMTSA-N 443.548 2.252 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@@H]2C)C1 1540894119 RALBYSCZSPSGTN-LPHOPBHVSA-N 432.594 2.136 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1542123848 UYKZHQBZWSNUTD-IRXDYDNUSA-N 444.598 2.284 30 10 IEEE COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1F 1545607985 GJGJSNBVCPSBSD-UHFFFAOYSA-N 435.452 2.233 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCSC)CC1 1555199486 XCPSKJAQXIJTTF-UHFFFAOYSA-N 428.562 2.255 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc2c(s1)CCCC2 1555556358 AAEHJEBBTAYHBJ-INIZCTEOSA-N 443.577 2.174 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)CC1 1555581338 GCGCNUDPHZTARK-UHFFFAOYSA-N 437.592 2.461 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc[nH]n1 1557179133 SGWWCZFXPUUSGR-GJZGRUSLSA-N 438.488 2.412 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 1584981540 PKXPWJKQGKBTLX-MRXNPFEDSA-N 430.977 2.081 30 10 IEEE Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1587141696 OZOQWHPMSWBBMT-INIZCTEOSA-N 445.350 2.103 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CCC2)C1 1587317273 KNLQDAXAAXMRIB-FDDCHVKYSA-N 432.565 2.117 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CCC2)C1 1587317274 KNLQDAXAAXMRIB-JPYJTQIMSA-N 432.565 2.117 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1 1588238448 VZPMUKHTGFXTHA-NRFANRHFSA-N 436.579 2.497 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595562405 XVKGTHJJUGKRHC-INIZCTEOSA-N 427.534 2.308 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1595613244 AMJMQJUWRFYWRO-SFHVURJKSA-N 433.516 2.311 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1596832998 ZPPNLPVIKQVRRZ-FUHWJXTLSA-N 433.507 2.216 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccn(C)n2)CCOC1 1610414992 IGGXFNMZTSCPBE-QFIPXVFZSA-N 427.553 2.425 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CC=CCO1 1611847374 SQYUPAMYBBNGMV-WBVHZDCISA-N 443.577 2.488 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCCO)cc1C 1612108632 OSTJFEIOTGGLCT-LJQANCHMSA-N 426.521 2.429 30 10 IEEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1617190403 JZYVGNQKAFFYJA-HXUWFJFHSA-N 441.557 2.382 30 10 IEEE C[C@]1(CO)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c2ccccc2O1 1620475461 AKRRNJQGZWZOOA-PGRDOPGGSA-N 426.542 2.107 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 1620594082 GNRIPXUNXBKVMD-CTNGQTDRSA-N 432.540 2.490 30 10 IEEE Cc1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)nn1 1625121157 HSZLRJKRLNZSNE-UHFFFAOYSA-N 447.520 2.470 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CSc2ccccc2O1 1630852055 KWZQUQHTTXQFGV-CQSZACIVSA-N 431.539 2.175 30 10 IEEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C(F)(F)F)CC1 1634681703 GIFSRKUCDWAOEE-RRFJBIMHSA-N 433.475 2.461 30 10 IEEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1639900808 OEXMJUNQKKTRFK-MRDQGFSESA-N 435.347 2.412 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)CC1 1644428335 DWPYINHYCICKCB-SFHVURJKSA-N 448.361 2.500 30 10 IEEE COc1ccc(Br)cc1OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1646502603 DCXOHEJDEPYGCN-UHFFFAOYSA-N 425.260 2.102 30 10 IEEE COC(=O)[C@@H]1CN(CCOc2ccc(C#N)cc2OC)CC12CN(C(=O)OC(C)(C)C)C2 1648438039 WFDZUSSUPOQKHF-KRWDZBQOSA-N 445.516 2.288 30 10 IEEE COC(=O)CCN(CC#N)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1649012341 ZMPQSFFDVGOCEH-IBGZPJMESA-N 426.473 2.308 30 10 IEEE CS(=O)(=O)CC[C@@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1651221260 TWUFOCSKGJTIMN-QGZVFWFLSA-N 444.509 2.109 30 10 IEEE C#CCN1CCN(C(=O)CN[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 1655752753 WGLMASUXJBACCI-AHKZPQOWSA-N 430.596 2.412 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)c(C#N)cn1CCOC 1668605568 HHPXPMPWIOXHTF-YJBOKZPZSA-N 428.489 2.469 30 10 IEEE N#Cc1sc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1Cl 1672677168 HXTNFZDLOFINDB-UHFFFAOYSA-N 441.922 2.011 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1)C1CCOCC1 1684037365 XZZOMLOHXKMUPX-NQIIRXRSSA-N 427.545 2.299 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@@](C)=O)CC2)CC1 1690367220 GPMVHPMCPDUSIM-MUUNZHRXSA-N 434.587 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690725142 GZOBSWUJEIIION-UHFFFAOYSA-N 449.552 2.070 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)C[C@@H]1N1CCOCC1 1694931595 FUSLFDRXDZXJGW-DWLFOUALSA-N 437.592 2.314 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H]2CCC(=O)N2)cc1 1698489422 QBMIWKSZDFLLHH-HZPDHXFCSA-N 430.459 2.489 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCS2)CCO1 1698490704 GDKVYLHUDFBJME-DLBZAZTESA-N 446.964 2.486 30 10 IEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(C(N)=O)CCOCC1 1705545014 LXACZLRZJUDJCC-HNNXBMFYSA-N 427.574 2.483 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)CN1CCCC1 1705546511 KOCILPLPPHWXLJ-KRWDZBQOSA-N 443.621 2.348 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1705612372 FUCYAVOJTDDNQD-PKOBYXMFSA-N 427.574 2.091 30 10 IEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1705727809 BZZUJYNLIAFAHA-UHFFFAOYSA-N 427.505 2.358 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@H]1C 1705895509 IZIVMNCGMYFRJY-GOEBONIOSA-N 445.593 2.084 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1705901886 ZEHDRUJFBPCWGQ-UHFFFAOYSA-N 425.533 2.470 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1705911583 LMWCHINYUMQKSJ-HKUYNNGSSA-N 425.533 2.452 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705944194 XOETXDCWQRVDSS-IRXDYDNUSA-N 434.610 2.137 30 10 IEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCCO1 1707951738 NOORIOZMFZBKLZ-FXAWDEMLSA-N 438.532 2.069 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1)S(C)(=O)=O 1710140483 AZVGPXCYAVGTHZ-CALCHBBNSA-N 446.577 2.102 30 10 IEEE COCCCN(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1712383506 ZYDUFFQIIKPFBU-OAQYLSRUSA-N 440.548 2.499 30 10 IEEE COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1712393421 KIWBUSKZTOWJMK-UHFFFAOYSA-N 431.566 2.405 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@H](C)C1 1712648290 SFDOSKMRAKOKLG-BURNTYAHSA-N 446.596 2.243 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1722361440 NCTOZAKZGUORLS-HZPDHXFCSA-N 435.500 2.402 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1722363650 AYGDXFQEURQEKO-ZHALLVOQSA-N 431.537 2.029 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCCOC)CC1 1722436508 AKDRLCNEEBQNHY-NRFANRHFSA-N 425.533 2.363 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722509626 NVLWVYOBVGBMDQ-CUWPLCDZSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722532822 XIRCTBYGHSQZOH-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1722625405 UAGLSGONUULAPW-UHFFFAOYSA-N 437.548 2.491 30 10 IEEE C=CCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722690272 CXVOSHOAABUHCV-OAQYLSRUSA-N 443.508 2.135 30 10 IEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 1722704060 BHDMVJZOAGEZPL-IBGZPJMESA-N 445.589 2.458 30 10 IEEE CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1722879500 HXSLAYAOOJYUQI-INIZCTEOSA-N 426.521 2.380 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)(F)F 1726955073 GGXNWNIRWINBJV-LLVKDONJSA-N 437.426 2.005 30 10 IEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CC1CC1 1729343118 LKRUOERHPZSSJQ-UHFFFAOYSA-N 437.957 2.015 30 10 IEEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cc1 1730176139 QNYKKMBIXNORPO-UHFFFAOYSA-N 438.532 2.479 30 10 IEEE COc1ccc(O[C@@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1730182391 CDMVWAWJOQNERL-IRXDYDNUSA-N 448.531 2.439 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C[C@H]1OC 1730994405 MEYIIGAUXKNGKP-XLNTUCKNSA-N 427.505 2.004 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1740540078 XJUNOSXKJRMOBM-JPYJTQIMSA-N 433.597 2.278 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740576271 ZSUZTPHFFWPLKN-RBSBEOHCSA-N 448.614 2.358 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740626053 VHWZQRIRYXBHML-QGZVFWFLSA-N 433.603 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CC(F)(F)F)CC1 1740641219 GAWJXFDFQUMEDI-UHFFFAOYSA-N 447.509 2.487 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)Nc1ccccc1 1740660719 AOVCJJIVSARIJV-UGKGYDQZSA-N 435.528 2.494 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)N(CC)CC)CC1 1740696470 VFZOVKBBBAUJIB-DENIHFKCSA-N 438.576 2.276 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2C)CC1 1740703988 FCBATDVFUUIRMB-UHFFFAOYSA-N 431.544 2.310 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740717669 YHQOPCIWLBVGNM-UHFFFAOYSA-N 441.605 2.054 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740793605 URYLCPINPKOZRN-UHFFFAOYSA-N 430.597 2.273 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740857814 CWLGTHFOPFYVJR-HZSPNIEDSA-N 439.504 2.401 30 10 IEEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1740947724 BTERIAHMFKBNMF-OAQYLSRUSA-N 434.544 2.012 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1C(C)C 1740985377 GMXXLQZBQDENCL-INIZCTEOSA-N 432.550 2.151 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1747872684 XCVGMZFHHKNGJS-UHFFFAOYSA-N 438.532 2.178 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1748730076 DMAARCDQKFNYGM-KRWDZBQOSA-N 431.562 2.430 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCOC2)C1 1748736336 YNRFLQDTBPZPOI-QFIPXVFZSA-N 443.573 2.226 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1748766404 PCAKQPHGQMBNRH-KGLIPLIRSA-N 425.942 2.079 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1748906357 CRDHUJGEONWHCT-IZAXUBKRSA-N 437.548 2.294 30 10 IEEE COc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1749069183 DZICWPXLJFZWON-DYESRHJHSA-N 429.546 2.367 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1749084168 FLZLFPGZLIPTNM-AOMKIAJQSA-N 427.505 2.146 30 10 IEEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCC1 1749630433 HTXSFJTVEXIHOL-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C#N)o2)CC1 1749842908 ZWZHNMZBFUBCTR-UHFFFAOYSA-N 447.499 2.329 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1csc(COC)n1 1760101681 AFCVFCLYAMMTCT-CQSZACIVSA-N 445.570 2.458 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1760115665 BIYJXNSCVQIFPK-BJLQDIEVSA-N 429.590 2.159 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccco1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760182116 GPPXUSKKSGESFD-RBUKOAKNSA-N 445.589 2.458 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1Cl)N(C)C 1760249233 XPUMWUAPMOUUMO-OALUTQOASA-N 444.967 2.272 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@@H](C)C1 1760289137 MMZCPTYKAKNKFN-OEMYIYORSA-N 436.626 2.001 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760351711 KMCUDYHWXMOXGH-HSZRJFAPSA-N 440.548 2.442 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@H]1CC 1760353565 WNMXAJSWBMQLJK-QGZVFWFLSA-N 427.505 2.024 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1760382965 CHQUMOSOWOVYRZ-OAQYLSRUSA-N 438.594 2.300 30 10 IEEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNS(=O)(=O)CC)CC1 1760389040 ARKNZLVYWAPBJF-IBGZPJMESA-N 447.561 2.276 30 10 IEEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760431798 BMINJBUKYUAUAM-HXUWFJFHSA-N 449.563 2.122 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760448576 HVWOBJWUEASUGM-UHFFFAOYSA-N 427.553 2.214 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760448693 MLRGFCMIGQNPSQ-QGZVFWFLSA-N 440.552 2.451 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(COC)CC1 1760555207 AAFKMTJWRUSOSU-QGZVFWFLSA-N 426.583 2.373 30 10 IEEE C[C@H]1CCCN1CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1762935538 AHOIMQLZSHVLMB-IRXDYDNUSA-N 434.548 2.415 30 10 IEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cccn(CC)c1=O 1763095576 HCLSYUGBAWKHJN-UHFFFAOYSA-N 435.507 2.408 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1763746105 QEMWQFZOJCBFNI-WMZOPIPTSA-N 436.564 2.300 30 10 IEEE COc1ccccc1O[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1768958058 GWLIUJRSFNUGHS-FGTMMUONSA-N 427.505 2.377 30 10 IEEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769656228 REIUPUOGJBMPIC-UHFFFAOYSA-N 443.527 2.180 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1769964280 ZUKSWHOEYQYXHP-IIBYNOLFSA-N 431.562 2.378 30 10 IEEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1770160640 XTIQJIKBKODOCU-UHFFFAOYSA-N 438.454 2.164 30 10 IEEE COCCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C#N)C1 1771236638 KZTLNMMGGNHBHQ-LJQANCHMSA-N 434.500 2.451 30 10 IEEE C=CCN(C(=O)[C@@H]1CN(C)C=N1)c1cc(CS(=O)(=O)c2ccc(Cl)cc2)nc(C)n1 1851921554 LUXZFNXXCKYEQT-SFHVURJKSA-N 447.948 2.274 30 10 IEEE COc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1Cl 1854380381 STOINYZJOXOGNU-OAHLLOKOSA-N 436.873 2.311 30 10 IEEE CS(=O)(=O)c1ccc(CCC(=O)N2CCCC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1855605560 VKYREDNIPDTVSK-HXUWFJFHSA-N 431.558 2.166 30 10 IEEE N#Cc1cc(C(=O)N2C[C@H](CN3CC[C@H](Oc4cnccc4Cl)C3)CC2=O)ccn1 1856307895 ZNVFBRUQGYUMRE-YOEHRIQHSA-N 425.876 2.144 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)ccc1O 1862630470 UTGGOJFAXKBWAL-WLRWDXFRSA-N 427.409 2.089 30 10 IEEE Cc1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866869254 ZBOXEYYEMDXYJD-OALUTQOASA-N 426.542 2.449 30 10 IEEE CCCN(CCC(=O)OCC)C(=O)CNC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868782579 KKIXXAZDUPLYOX-GOSISDBHSA-N 448.589 2.333 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC)cn1CCc1ccc(S(N)(=O)=O)cc1 1870366068 DQQVXIADQMZNBR-UHFFFAOYSA-N 431.558 2.311 30 10 IEEE CCc1nc([C@@H](C#N)C(=O)CN2CCN(c3ccccc3OC)CC2)sc1C(=O)OC 1872796291 TYIJPYMKQBNOCG-HNNXBMFYSA-N 442.541 2.499 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cnc2C#N)[C@H](S(C)(=O)=O)C1 1877652717 JWKVOYZAPBOQAO-UONOGXRCSA-N 445.339 2.160 30 10 IEEE O=C(N[C@H](CC[S@](=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1892260000 LVRMCUJHHZQIBR-ROTAYESASA-N 441.505 2.113 30 10 IEEE C=CCN(CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1984805584 IDXXOOAWLBPNGB-CQSZACIVSA-N 429.514 2.284 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2052718557 YFPZUTMCKSSOOK-NVXWUHKLSA-N 436.358 2.286 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065459642 FBAAVRNULAXVJN-QGZVFWFLSA-N 434.342 2.142 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)(C1)C2 2086111932 DRFGPLKWOABLAD-FOVJLYNBSA-N 440.544 2.297 30 10 IEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1 2216015967 ZWUNGAFSNITLOU-YDHSSHFGSA-N 428.533 2.153 30 10 IEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224129472 GQVMDGCDIRLBTQ-CZUORRHYSA-N 436.314 2.214 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CCO 2255374673 QZXODVPIUFBGNS-INIZCTEOSA-N 433.358 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255534959 OHKVHUSMLMAEHX-HNNXBMFYSA-N 431.342 2.368 30 10 IEEE Cc1sc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2255601969 LSXJTMLXPLHUTI-UHFFFAOYSA-N 446.300 2.415 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255657847 VDIJJYOCQYWZBJ-OAHLLOKOSA-N 429.326 2.286 30 10 IEEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255828125 QKFNCXDRFKHVCD-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CC[C@@H](CN(CC)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255830383 FIHBKJCRFJTRCO-AWEZNQCLSA-N 436.362 2.474 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255831572 XZBPOSAHYCDJRN-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]2C1 2255854683 FPZNXZBTQDGKKN-FPTDNZKUSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2256640626 PWTNBLVPKQYYPB-IRXDYDNUSA-N 436.358 2.394 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256926775 DYCVDHPMPWLTON-MRXNPFEDSA-N 429.278 2.369 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267161701 FYAHVPXEBFXVLE-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2267234269 TXJFXFIAQDCKLB-INIZCTEOSA-N 448.369 2.252 30 10 IEEE Cn1ncc(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267510156 GRDJBGVXUHPTEA-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2267522950 YMISCZSCOWLTMO-AWEZNQCLSA-N 446.357 2.371 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267536224 BBTAHFZTCAEYSW-CVEARBPZSA-N 448.373 2.378 30 10 IEEE Cc1cnc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1 2267582412 ZJZWMPDUYWRBLC-GJZGRUSLSA-N 443.353 2.284 30 10 IEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCOCCO)c1 2296157204 SBUHKBBVMCMBFF-GOSISDBHSA-N 433.482 2.196 30 10 IEEE CCn1c(NN=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 2297477257 KMZWXZPDRSTDCY-UHFFFAOYSA-N 431.840 2.039 30 10 IEEE CC#CCN(CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 2300571398 BDAQNPZCVDCKEZ-OAHLLOKOSA-N 441.525 2.121 30 10 IEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccncc2)cc1OC 2325890236 AKMSYAREFLWNEX-UHFFFAOYSA-N 440.529 2.325 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCCOc2ccc(C#N)cc2)C1 16164153 YTLSILXOLNZBNI-KRWDZBQOSA-N 433.486 2.186 30 10 IEEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)s1 103223290 BSPXXXKSHPIBSD-LYHOESIGSA-N 442.541 2.299 30 10 IEEE C/C(Cl)=C\Cn1c(NN=C2C(=O)N(C)c3ccc(C)cc32)nc2c1c(O)nc(=O)n2C 254557452 ZCLPOOYKFAEKKL-UAVWUAEQSA-N 441.879 2.079 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 472541732 WTZNWSKDSKTVED-WMLDXEAASA-N 439.329 2.074 30 10 IEEE Cc1csc(NC2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 474799837 FDDSMQRVJDQHIY-AWEZNQCLSA-N 433.559 2.093 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 478755970 URUFNCLYJVITKL-QGZVFWFLSA-N 425.554 2.301 30 10 IEEE Cn1c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc2c(=O)n3ccccc3nc21 479274160 IPEYZFIPYAJVFW-UHFFFAOYSA-N 440.507 2.474 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(Oc2cnccn2)CC1 488801146 MBXRRRWXBOONSJ-UHFFFAOYSA-N 426.521 2.285 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCc3ccccc32)CC1 508466718 VSLKTFFKTLERJK-QGZVFWFLSA-N 444.605 2.353 30 10 IEEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1c1cccnc1 510382767 AHHAFIGJWGAOKE-OXQOHEQNSA-N 446.467 2.069 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C1CC1 522242003 XWSRSSVBMOSSOM-UHFFFAOYSA-N 430.327 2.274 30 10 IEEE COc1ccc(-c2noc(=O)n2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1OC 522476559 KIZFYOWZYYAFJU-UHFFFAOYSA-N 446.423 2.217 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 522842687 DIZJXRQZSSCHRM-UHFFFAOYSA-N 435.956 2.178 30 10 IEEE Cc1c(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cccc1N(C)C 540522567 WSDWJOSENIKFGL-UHFFFAOYSA-N 427.530 2.471 30 10 IEEE CC(C)(C)[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1O 541617070 JVOVEKACLMNELM-SJLPKXTDSA-N 441.532 2.184 30 10 IEEE Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1OCCO 543024956 JSQNQGCRAMJXAZ-UHFFFAOYSA-N 443.525 2.277 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCCO1 550824705 QRJMFZBZVIWZBI-SFHVURJKSA-N 426.513 2.490 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 575818032 WSUCOJPSCMJBTJ-SFHVURJKSA-N 442.545 2.027 30 10 IEEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 579812431 SVLPTCLUEOXBAY-UHFFFAOYSA-N 438.513 2.497 30 10 IEEE CCn1c(O)nnc1C1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 590175887 LQPIBLWNRONZFU-UHFFFAOYSA-N 429.424 2.462 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccc(F)cc1 603787642 YTPAUYVOZPVSAP-UHFFFAOYSA-N 439.899 2.473 30 10 IEEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 610967600 LDXXUUTVFIHQIN-LJQANCHMSA-N 448.571 2.451 30 10 IEEE CN1CCN(C(=O)c2ccc(I)c(Br)c2)[C@H](C#N)C1 721329428 KJKBYTJCNLJPJH-SNVBAGLBSA-N 434.075 2.333 30 10 IEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 729488503 NZOWPVOCRRYPSK-UHFFFAOYSA-N 442.969 2.385 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1-c1ccc2ncccc2c1 731410446 PDGWBPPPZMHQTE-UHFFFAOYSA-N 432.465 2.255 30 10 IEEE CN1C(=O)C[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccc(Cl)c1 734704636 UAAFVUSWASSOFB-HKUYNNGSSA-N 431.901 2.377 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 745339110 KLJDXUFSZNCBMH-OAQYLSRUSA-N 445.519 2.221 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1n[nH]c2ccc(I)cc12 745476485 YKUTXBPODYUEIY-JTQLQIEISA-N 440.241 2.332 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCN(CC(F)F)CC2)C1=O 747043787 LVJDOWHTQFXLRN-MRXNPFEDSA-N 435.500 2.355 30 10 IEEE N#Cc1cccc(CC(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)c1 750430806 PDYBBLQANDKMCM-UHFFFAOYSA-N 430.258 2.161 30 10 IEEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766419827 OZLIKBNVDMAKHH-IBGZPJMESA-N 440.573 2.293 30 10 IEEE Cc1ccc(-c2nnc(COC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)o2)cc1 767628113 PQYFXEQOHPVSMJ-AWEZNQCLSA-N 426.454 2.327 30 10 IEEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774234218 LZFMQFRCIRYCDN-DOTOQJQBSA-N 441.500 2.089 30 10 IEEE C#CCN=c1nc(N2CCC[C@@]3(CCCOC3)C2)[nH]c(N2CCC[C@@]3(CCCOC3)C2)n1 804532196 QFTXLGFTZRKPQA-DNQXCXABSA-N 440.592 2.133 30 10 IEEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)c2)s1 807245450 HLYRVRJUYZZKDU-VGOFRKELSA-N 425.510 2.357 30 10 IEEE C#CCN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CCS(=O)(=O)C1 807252929 VMOQAZOMDYWBSF-JKSUJKDBSA-N 426.336 2.127 30 10 IEEE CCc1ccccc1[C@H](CNC(=O)NCCn1cnc(C#N)n1)NC(=O)OC(C)(C)C 811916987 DXEGMDDCYCJMIY-KRWDZBQOSA-N 427.509 2.277 30 10 IEEE CN(CC(C)(C)C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 817618167 WRQXNWHHNQOCJT-UHFFFAOYSA-N 444.351 2.092 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 917651596 BYYNQCUBUDARQG-UHFFFAOYSA-N 428.942 2.043 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1125646698 ZGJKUDLELVVNFK-MOPGFXCFSA-N 442.516 2.418 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](C[C@H]3CCCO3)C(F)(F)F)C2=O)cc1 1130475158 ISMYJCYAWCDYBY-OAGGEKHMSA-N 438.406 2.379 30 10 IEEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1133300417 ADJQUAIYMNMFDC-CQSZACIVSA-N 426.477 2.025 30 10 IEEE CC(C)N(CCS(C)(=O)=O)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1137591177 ZDVODTUKFOATCY-LFDOHDQPSA-N 427.567 2.055 30 10 IEEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1138741289 HUXMNSXNAZZRSO-XVNBXDOJSA-N 428.844 2.295 30 10 IEEE CN1C[C@H](CCNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1155628343 FIMGSTLZGOIRTQ-OXQOHEQNSA-N 426.517 2.377 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@](CO)(OC)C1 1165771244 WFUGCFYAUXACKG-GOSISDBHSA-N 427.295 2.098 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCC[C@H]1C#N 1175250117 NJEUWZAFLAYYLJ-UNMCSNQZSA-N 440.569 2.297 30 10 IEEE CN1C(=O)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)Cc2ccccc21 1196208731 SMSQVVFDMQCCQX-JOCHJYFZSA-N 435.503 2.013 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 1196280877 RGFFMPSTQKVSCM-UHFFFAOYSA-N 435.484 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)C1 1233850530 CGNVXOILXZBMRF-KCXAZCMYSA-N 435.912 2.315 30 10 IEEE C=C[C@H](CC)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1264245179 KNCLVJDWBYNUSK-QGZVFWFLSA-N 437.562 2.085 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 1286268721 AXTDYWARMNYEHP-CQSZACIVSA-N 436.438 2.465 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCOC1 1286280163 UBCZFKLSPHYZOW-ORAYPTAESA-N 435.322 2.326 30 10 IEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286349464 XPVTUURBNDALQP-KRWDZBQOSA-N 447.543 2.316 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286387362 QFWDTKLPBPFIAK-DLBZAZTESA-N 446.598 2.476 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(C)(F)F)c2)CC1 1286478726 FLNIMYPZGCBICP-SFHVURJKSA-N 428.487 2.144 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1286738298 SAKPSHGMHWRCTM-HUUCEWRRSA-N 439.582 2.248 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)nnc1C(C)(C)C 1286793261 BEMLOBZCDUXTBN-UHFFFAOYSA-N 444.967 2.380 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1286833163 WHRJOZQMVSGWNJ-ZWKOTPCHSA-N 440.635 2.495 30 10 IEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1287821577 MAYGABHIHCGAFG-LJQANCHMSA-N 446.577 2.007 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](c1ccc(F)cc1)N(C)C 1290864903 DJLIETZVDZQMFN-IERDGZPVSA-N 449.538 2.405 30 10 IEEE CCc1nnc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1292812920 BNHSCBXERWCRSC-VLZBMTSBSA-N 449.559 2.078 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cccc(Cl)c2)CCOC1 1296662596 DUCXTONMKZXYIO-RXVVDRJESA-N 447.923 2.391 30 10 IEEE CCOc1c(OC)cc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1296702543 YWIADJXLWYFROX-IAGOWNOFSA-N 443.504 2.323 30 10 IEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1299302475 VAJYSSPIZXAVDX-OKILXGFUSA-N 438.504 2.093 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)Oc1ccccc1OC 1300506619 WOWMOADOIGAQIE-SFHVURJKSA-N 444.495 2.474 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(N2CCOCC2)c1 1300541244 OFHKRQNFKUEDJV-UHFFFAOYSA-N 426.524 2.222 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1300697806 KBLGVYMUHLCRTC-TZIWHRDSSA-N 449.603 2.114 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([S@](C)=O)CC2)CC1 1300708363 RDDZFAUNEPVZDY-HKBQPEDESA-N 441.601 2.140 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)OC 1301028938 CCVBUTXJWDGJOH-ZJOUEHCJSA-N 441.532 2.253 30 10 IEEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301433588 VXDKTDRGWVTTFM-GOSISDBHSA-N 449.577 2.007 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)C1CCC1 1302293636 PFVWHJAIXPTIKQ-YDHSSHFGSA-N 444.580 2.439 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCSCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1304561361 UYGWNKQOVNJPMT-MRCUWXFGSA-N 438.557 2.257 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC(C)(C)N2CCOCC2)cs1 1304664657 QOHYGTXGUVJDTO-UHFFFAOYSA-N 429.594 2.485 30 10 IEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1306515232 CXKHBSFQPBABRK-SFHVURJKSA-N 437.548 2.038 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 1307967998 RGZJVWSOSUIVRZ-DDDLWCFWSA-N 437.581 2.365 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(OCCOC)c(Br)c2)CC1 1309797932 RZAFWKJJAZJDDX-UHFFFAOYSA-N 432.336 2.013 30 10 IEEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312469612 PEEXDQDDOQUFGF-QWHCGFSZSA-N 442.442 2.438 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CCO1 1315930950 ICHQZINBKZGSJO-SFHVURJKSA-N 442.520 2.193 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCOc2ncccc2F)CCO1 1316539858 GQYKSYSOAQXETJ-KRWDZBQOSA-N 442.426 2.338 30 10 IEEE C=CCO[C@H]1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 1320308255 OPJBOLJIUZUZPS-LSDHHAIUSA-N 426.254 2.200 30 10 IEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(C#N)nc1 1354846211 YDUFZPSSWNUBTB-UHFFFAOYSA-N 427.530 2.375 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1358871763 KBKMULYAQSCAQC-LNLFQRSKSA-N 436.626 2.143 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCC1 1358874859 DYZIFDGVLWDEOZ-OAHLLOKOSA-N 430.578 2.310 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2Cc2nnnn2CC2CC2)c1 1358901119 ABVJSZFUWSOKDR-MRXNPFEDSA-N 447.547 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C)n1 1358975768 DFDMPFPSYFPMQN-UHFFFAOYSA-N 447.568 2.257 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1358976270 XJIJACVKBDLXLU-UHFFFAOYSA-N 428.475 2.433 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OC)c(OC)c1 1359023448 KYVPDCQQEAPDPL-INIZCTEOSA-N 447.923 2.034 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359081513 DFSPSAWQEDAPQY-UHFFFAOYSA-N 447.341 2.206 30 10 IEEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1359230574 YLHKGRAIKLJTQI-HXUWFJFHSA-N 426.565 2.044 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnn(C)n1 1359257286 GETUJWMPXFFXBD-QFIPXVFZSA-N 438.536 2.083 30 10 IEEE CC(C)(C#N)CNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1447566412 BQTRRBGWZXFLEI-FQEVSTJZSA-N 434.496 2.435 30 10 IEEE CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1452832300 GWAWNAPVXNDKKQ-IBGZPJMESA-N 443.525 2.390 30 10 IEEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCO[C@@](C)(C#N)C1 1456469323 AJFYWVBTSJBYOM-FPOVZHCZSA-N 447.582 2.381 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1460780884 JUMLNFMKGABGGI-SRABZTEZSA-N 435.274 2.115 30 10 IEEE Cc1nn2c(c1Cl)N(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCC2 1462914430 SBPJJDLTDZGHIA-HNNXBMFYSA-N 426.864 2.359 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1465832925 NSXUSCBENVOOBK-SJORKVTESA-N 442.988 2.177 30 10 IEEE C=CC1(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1466016182 YRTQLMKNKCHLOO-UHFFFAOYSA-N 429.517 2.490 30 10 IEEE Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1472618862 LNKIMASIRNSBSX-HXUWFJFHSA-N 435.480 2.390 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1494621781 IKGWWCGCFCAMOY-HRAATJIYSA-N 429.546 2.476 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1503943535 HJMBOQLKOPHJMV-OAGGEKHMSA-N 435.550 2.021 30 10 IEEE COC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1504587844 DJNWZMBBKJZZHF-FGZHOGPDSA-N 448.527 2.375 30 10 IEEE COCc1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)ccc1F 1504639760 URNDPZKRKFLFNW-HQRMLTQVSA-N 445.495 2.065 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCCCN2CCCC2)cc1 1505315951 DLCBWACCIMRCIW-UHFFFAOYSA-N 442.589 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1507515572 YLBVGQYAHKIGRN-MRXNPFEDSA-N 427.472 2.012 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1507629902 XWSQLQHRDIFSIT-KRWDZBQOSA-N 432.546 2.432 30 10 IEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1507640356 QFQUDYGQYRMGKF-LJQANCHMSA-N 446.573 2.137 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(NC(C)=O)c1 1507666843 GUQQEWQVVIACLI-UHFFFAOYSA-N 444.495 2.475 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 1507751365 NCZBGGLWYAMSNC-OAHLLOKOSA-N 440.541 2.461 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1508071127 BFRVAEYZQPVHKH-UIAACRFSSA-N 441.532 2.126 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C(C)C)C1 1508090277 GAWLYDLWLOCOIC-INIZCTEOSA-N 448.618 2.150 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508115080 HNCYKYFQRLEXBS-ZWKOTPCHSA-N 429.521 2.123 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1508133447 JJGPUFBMAZHTGO-MSOLQXFVSA-N 446.529 2.222 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1508390688 XERYNBJZPUBDGY-SBUREZEXSA-N 438.532 2.117 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCn2ccnc21 1509967657 BGENFNUVKHGSCX-WMZOPIPTSA-N 448.531 2.203 30 10 IEEE CC1(C)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1510332558 YEWFLKQPCSOUHR-MRCUWXFGSA-N 435.532 2.417 30 10 IEEE CCOCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1516668488 IFGLDCMMYJYZOC-UHFFFAOYSA-N 429.546 2.258 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)c1 1518050076 DXBXQYREHCSRNZ-PMACEKPBSA-N 426.521 2.031 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1COCCO1 1519150494 FRBRQMFFZHWLPV-RTWAWAEBSA-N 441.532 2.460 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1nccn1C 1524656133 KQLHGTADYBULOM-HOTGVXAUSA-N 437.378 2.117 30 10 IEEE C#CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCCCC1 1536235592 NWRPDKKHXYMGCF-UHFFFAOYSA-N 449.548 2.135 30 10 IEEE C#CCCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1539141805 YNCCGEYERKUDLK-HYBUGGRVSA-N 445.608 2.422 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1539165759 MNCNHZMLJSLVIZ-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539222565 WPUPADZUQCJBGB-KNQAVFIVSA-N 428.558 2.080 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C)CCOCC1 1539306928 MYOCQZQZOAQMQC-UHFFFAOYSA-N 430.516 2.200 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(N(C)C)CCSC2)CC1 1539467007 LONDMYYHLWOTCC-HTAPYJJXSA-N 432.638 2.195 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1540070803 AHAQCHHKZBLKQY-HNNXBMFYSA-N 427.571 2.059 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](CC)C1 1540867185 NKNVAWOCSHBGMY-KRWDZBQOSA-N 429.521 2.270 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(C#N)o1 1541472367 GOMXNOINIMKKTR-MRXNPFEDSA-N 431.504 2.366 30 10 IEEE CCn1cnnc1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1547628572 GTEMVLWQGWGWSG-LLVKDONJSA-N 449.338 2.158 30 10 IEEE CO[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1555177729 LCVGGTNOKNEEHM-RUNIHZNKSA-N 430.553 2.254 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1Cc1ncn(-c2ccccc2)n1 1555556403 DRWZDHGDQRRBSF-UHFFFAOYSA-N 431.504 2.279 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1nncn1-c1ccccc1 1555625759 GXVWRYXQQOLTAC-KRWDZBQOSA-N 436.520 2.371 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCS2)c1 1555987107 IBEVVHPNHUWWNN-SFHVURJKSA-N 426.546 2.183 30 10 IEEE C=CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)[C@@H](Cc1ccccc1)C(=O)OCC 1556204945 IPPBEOMOJODOAR-NEWSRXKRSA-N 434.533 2.450 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)cc1 1557088792 MZEDSAOTPWLUHT-QGZVFWFLSA-N 441.550 2.362 30 10 IEEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1560200413 WTLLAHCLMKUWNP-FQEVSTJZSA-N 433.574 2.153 30 10 IEEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N 1586104097 JXAUBVNLPQQENL-KRWDZBQOSA-N 445.564 2.115 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2ccnc2C)nc1 1587684151 UAWOUBSJIYWHLY-PBEJRMEISA-N 435.532 2.397 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1587782765 BPNBKAPFSUVWBH-SJORKVTESA-N 440.573 2.321 30 10 IEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1587783830 YXEDDAPWFTZPFX-RXVVDRJESA-N 425.581 2.100 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1588074152 KMLGKZFHXIKCKR-LJQANCHMSA-N 446.548 2.312 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCSC1 1588140115 UCMXJIGMFYNHPY-QZTJIDSGSA-N 445.589 2.412 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)c1ccccc1 1588646015 FWAQSTDQKNBGSJ-AZUAARDMSA-N 430.574 2.460 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1589047631 CYPDZMFAHIRYRW-UHFFFAOYSA-N 432.557 2.243 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1589089298 PDSJUGKMPPCXIR-GOSISDBHSA-N 428.562 2.345 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1589216226 LXHNJEZWQDVHEO-SIKLNZKXSA-N 428.558 2.389 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@H]1OC 1595115163 FNPROMLUKLIFSL-SLFFLAALSA-N 425.533 2.473 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595556070 MSWFADMRYKLERL-MAUKXSAKSA-N 433.940 2.065 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCOCC2)C1 1595737561 CSOSGSWNVUSZFV-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(Br)cnc1Br 1596375705 STSYVDYICGUIHP-UHFFFAOYSA-N 442.115 2.488 30 10 IEEE CC(C)(C)OCc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)no1 1597660353 FBDNVTBEQXWIGK-OAQYLSRUSA-N 445.499 2.307 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1611294234 JSERWWMSIPZQFX-CQSZACIVSA-N 441.916 2.264 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCc3ccc(N(C)C)cc3)CC2)c1C#N 1612469897 HRIOOZIOCHKHPR-UHFFFAOYSA-N 433.564 2.135 30 10 IEEE Cc1nnc(N2CCC(CN3CCCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612565965 CBKYAEHKDUEQOC-DQRAZIAOSA-N 441.580 2.205 30 10 IEEE N#Cc1ccc(NC(=O)c2cn(Cc3ccccn3)nn2)c(I)c1 1626250023 SEPUBZJUXUGLNH-UHFFFAOYSA-N 430.209 2.450 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1(C2(O)CN(C(=O)OC(C)(C)C)C2)CCC1 1628662706 QDHJDKFGBRQISF-SFHVURJKSA-N 429.517 2.202 30 10 IEEE CC[C@H](C#N)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1629364815 NEJJDHNCMRZAML-BVTUPMQUSA-N 433.486 2.415 30 10 IEEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 1633186476 HQCQZUMOZLCDTE-VWLOTQADSA-N 435.524 2.483 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1635136080 ILBHNSONXRDFOP-UHFFFAOYSA-N 445.195 2.004 30 10 IEEE C[C@H](CC(=O)NCc1cnc(Br)s1)/N=C1/NS(=O)(=O)c2ccccc21 1635333418 FYNWXPPYTIFXIN-SECBINFHSA-N 443.348 2.039 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 1636651271 BOAKIMVDTCKTPZ-LJQANCHMSA-N 428.533 2.357 30 10 IEEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 1641702443 MGGYXEIICMAUCD-QGZVFWFLSA-N 440.504 2.358 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1Cc2cccnc2NC1=O 1643857145 NCSWPDDTTXTSQM-RTBURBONSA-N 447.495 2.467 30 10 IEEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)N2 1645515036 XSFBIQFODZYTDM-LEWJYISDSA-N 432.480 2.383 30 10 IEEE C=C[C@@H](C(=O)OC)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1655146616 HHIOZJQBXXTEKK-WMZOPIPTSA-N 433.553 2.374 30 10 IEEE CNC(=O)[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)Cc1ccc(F)cc1C 1682269527 RHYLEDHJYIAHHF-UYAOXDASSA-N 439.491 2.168 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)NCCn2cnc(C#N)n2)c2ccccc21 1686408484 ZHMZJSJERJZIDS-OAHLLOKOSA-N 425.493 2.378 30 10 IEEE C#C[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccc(Br)cc1 1686920414 XGVKJCYPCDUHJC-GFCCVEGCSA-N 427.242 2.400 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(O)nc2ccccc21 1689827077 ZGUVZJHUNLNIMB-HNNXBMFYSA-N 430.472 2.139 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(CC)CC 1689965951 HPVRWHZHDQTLHL-UXHICEINSA-N 429.590 2.333 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCOC[C@@H]1C)C(C)C 1690581253 NTLKNNDWVXXVNG-VQTJNVASSA-N 430.597 2.438 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690672968 JPLYDRDMCGEKRG-OAQYLSRUSA-N 448.527 2.153 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690752481 JRXZMBRRFBCELN-OKYOBFRVSA-N 438.594 2.306 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)C1 1690812173 HTLBVOFLIYEELG-RDJZCZTQSA-N 443.577 2.266 30 10 IEEE Cc1cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)cc(N2CCCC2)n1 1692993294 BDCDXPJIEWFTKT-QGZVFWFLSA-N 436.564 2.462 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCCN1CCOCC1 1694321245 LEVFQPPYILOGGA-UHFFFAOYSA-N 445.612 2.439 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1705570268 NLNFPRQZWBEKOO-LJQANCHMSA-N 441.582 2.309 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCN(CC)C2)CC1 1705640127 GDXOJGXAWGHLEK-GOSISDBHSA-N 428.531 2.244 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1705840859 FLKMQIHCBZJFRM-HJPURHCSSA-N 438.532 2.227 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1705902641 KLFVARLBOJULLV-UHFFFAOYSA-N 434.548 2.318 30 10 IEEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1709404279 PJANKZZXNRNHLQ-SNAWJCMRSA-N 446.515 2.282 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710269939 GHDMGLHFBWERGL-LAUBAEHRSA-N 431.585 2.398 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722311746 KCKYGXJKDKVWHG-GOSISDBHSA-N 448.531 2.289 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722327201 WWIPAHLGZZNOFX-NVXWUHKLSA-N 447.333 2.481 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359329 RYAPHMABQBZNRS-SFHVURJKSA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722362764 WFCORBBUCMMNDA-LXPRWKDFSA-N 431.562 2.105 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1OC 1722394233 PWJMBAKEACKRRI-NQIIRXRSSA-N 444.539 2.470 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)C(C)C 1722409906 JBGCSOYHPPOIIP-UHFFFAOYSA-N 431.610 2.428 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1722442642 XOCRVMBAKPQTEY-VQTJNVASSA-N 439.560 2.436 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722498532 BEPZVTQHTZSYJO-TZNCUMHOSA-N 426.583 2.369 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1722533922 FLFXVAWRAAHMAD-UHFFFAOYSA-N 427.475 2.346 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1722672882 BOBBCXYZQDGDMH-PMACEKPBSA-N 430.574 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722728909 CLKIKYIFECZLKK-PZJWPPBQSA-N 443.617 2.451 30 10 IEEE CC1(C)CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1724035811 UTBAPQIUPXXQIA-ZZEZOPTASA-N 440.479 2.226 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CCO1 1726726395 QIEFYRPETHBLRT-QGZVFWFLSA-N 438.532 2.260 30 10 IEEE CCOCc1nnc(N2CCCC[C@@H](SC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1729053353 RVKULIXWOICVCG-AMGRQBIBSA-N 434.566 2.063 30 10 IEEE COc1cc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc(OC)c1OC 1729981262 FIGBYJMNFBQOIM-UHFFFAOYSA-N 436.472 2.196 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cccs2)CCO1 1731190584 RGPLIRNOTCELLB-AWEZNQCLSA-N 443.920 2.214 30 10 IEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CC#C 1740574103 JOYRJBBYSMFJIK-IBGZPJMESA-N 425.533 2.463 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740620249 CNNPRFRXPQGTJG-YLJYHZDGSA-N 445.564 2.051 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCCC1 1740639679 YNKTVKYHVDNFQO-UHFFFAOYSA-N 444.539 2.443 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2C)CC1 1740700471 APTRVEQXZJIFBI-UHFFFAOYSA-N 448.571 2.031 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1740715621 LDOISYZCKUMGNF-UHFFFAOYSA-N 428.591 2.137 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1741795897 CCAHGZMDVGFNSW-HNNXBMFYSA-N 445.549 2.021 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1747356823 XYSJVVGJGGETKW-UHFFFAOYSA-N 446.577 2.104 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCCC1(C)C 1748784344 KLBDFMSEMNOYGN-OAQYLSRUSA-N 430.578 2.249 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748820107 ZEKUUXBJKXJQFE-SFTDATJTSA-N 440.569 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)c(OC)c1 1748842521 LEHHNBLVLAVFRI-UHFFFAOYSA-N 447.495 2.339 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCCCCC1 1748948281 KTFOSCKTGYNLSI-UHFFFAOYSA-N 426.521 2.097 30 10 IEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1749238760 BNNFNLAGTSMDCU-UHFFFAOYSA-N 446.527 2.440 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2=O)cc1 1751097146 FLDICFLHAKEAIB-GOSISDBHSA-N 449.559 2.310 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1760097640 ICLVPFWOGORJNX-KGLIPLIRSA-N 438.623 2.343 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)CCC)c1 1760128874 VHIKAJOTZWWFGV-WZONZLPQSA-N 425.533 2.389 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1760139129 SIYXPYVLEHBJNK-FQEVSTJZSA-N 439.516 2.065 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1760285495 IBGAAXZECJBNDG-SFHVURJKSA-N 431.537 2.468 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC1CC1 1760321849 KUQISPWLYLFNFU-QRVBRYPASA-N 438.594 2.024 30 10 IEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1)C1CC1 1760474287 RVZWAWJPJLLBLK-MRXNPFEDSA-N 439.651 2.162 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC[C@@H]1C 1760522223 OFHPGJRNIHZHNX-MAUKXSAKSA-N 427.505 2.097 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC)C1 1760536637 DIDBFNRZJQKOEP-HNNXBMFYSA-N 425.942 2.210 30 10 IEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760567419 ZWJILPOKVZNTDN-KRWDZBQOSA-N 436.603 2.420 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1761361687 MXMWKDRIFJLFDY-KDOFPFPSSA-N 434.504 2.077 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(c2cccc(F)c2)CC1 1761462977 CTPOHOFFTGVCCT-HUUCEWRRSA-N 434.541 2.498 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CC1 1764552883 ACTBNCUQKWGYNU-ZOKDDAQRSA-N 429.546 2.059 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1766551217 AYDPMAOIBOOSJH-UHFFFAOYSA-N 428.562 2.034 30 10 IEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cnn(CC)c1 1767930281 ANDBSRMZMZCJQY-UHFFFAOYSA-N 438.511 2.417 30 10 IEEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1)OC 1769247794 QBYPHYNNHVBLPM-KRWDZBQOSA-N 438.488 2.175 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1769276114 NJSYLALHXFJAOS-SFHVURJKSA-N 426.496 2.250 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1772566736 MEUSGEQGSPRSMA-CALCHBBNSA-N 430.553 2.151 30 10 IEEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc(OCC(=O)C4CC4)cc3)CC2)nc1 1851710393 HDOZQUFPNILCGE-UHFFFAOYSA-N 434.496 2.290 30 10 IEEE CN1CC[C@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccc(F)cc2)C1 1852536462 IXNHVRTZJOKVFI-PXNSSMCTSA-N 446.500 2.414 30 10 IEEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)cc1F 1853289573 RKTMIIGEQCVWRJ-UHFFFAOYSA-N 436.422 2.452 30 10 IEEE C=CCN1CC[C@H](N2CCN(C(=O)CN(C)c3nc4c(Cl)cccc4s3)C(=O)C2)C1 1853697844 MELZCPHZFWRHOS-HNNXBMFYSA-N 447.992 2.317 30 10 IEEE C[C@H]1C(=O)N(C(=O)c2c(F)cccc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855733963 DHGFZATVCKHQGW-LBPRGKRZSA-N 435.864 2.413 30 10 IEEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2)CC1 1855866836 GGJONFZJFMGKOF-IAGOWNOFSA-N 428.920 2.304 30 10 IEEE CCOc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862596419 NGBOHDXNCDCQMU-HXUWFJFHSA-N 440.452 2.211 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862683270 XHNLOGYEABSUFA-LJQANCHMSA-N 440.427 2.327 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862692173 GDCOEVXHCVJILK-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc3c(c2)OCCO3)c1 1862704842 KDSATNBENSYXOE-RBZFPXEDSA-N 425.437 2.426 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1870143624 UDGPBHRWQCKNHT-IBGZPJMESA-N 444.451 2.407 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(OC)c(F)c3)CC2)CC1 1890180122 WEPUJXMKOXSCRR-UHFFFAOYSA-N 431.552 2.025 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCB2OC(C)(C)C(C)(C)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1906119383 IOJJTMMVFPWWRQ-CVEARBPZSA-N 444.403 2.187 30 10 IEEE Cc1cnc(N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224119006 CXZRBYRUDIYFBD-MRXNPFEDSA-N 435.374 2.353 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243423151 SXLLPYRMXSIXJM-RYUDHWBXSA-N 425.360 2.474 30 10 IEEE C[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)C(F)(F)F 2255539249 WVONJBDPMLVPNM-YPMHNXCESA-N 430.232 2.108 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255710428 KKDNQEJATLWYJX-SFHVURJKSA-N 426.322 2.210 30 10 IEEE CN(C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1)C(=O)OC(C)(C)C 2255827113 VCTFSWGUMAQNHB-CQSZACIVSA-N 434.346 2.038 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 2255830623 ITYDNRVYWPIMBV-STQMWFEESA-N 436.362 2.059 30 10 IEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255844059 PVWFNKWNDSBHCB-AGGWBTHJSA-N 449.382 2.380 30 10 IEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267000314 WHGGDHSRWUESSC-UHFFFAOYSA-N 449.357 2.042 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 2267128668 SSGKUFZDLBNJKD-INIZCTEOSA-N 448.373 2.235 30 10 IEEE Cn1nc(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130716 RBVAGYVZVVDSIU-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267137857 UAPYWGPWVIJSRQ-JLCFBVMHSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267266046 NACPJMZVXWUXII-BFYDXBDKSA-N 443.353 2.366 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c(F)c2)OC1(C)C 2267414303 MJFZJQXJUGKFRB-UHFFFAOYSA-N 440.324 2.102 30 10 IEEE Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2267511278 ZTLDYWGCVKBMPO-LSDHHAIUSA-N 448.373 2.141 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267512964 RTRIQEUPEWMZCX-KKUMJFAQSA-N 446.357 2.084 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2267518106 AANAFRNEOVOWEL-LSDHHAIUSA-N 448.373 2.474 30 10 IEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]1(C)CCOCc1ccccc1 2267596481 JVAHTUJVNIFGAW-HSZRJFAPSA-N 440.353 2.326 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872014 RFBGNMVSFSANJC-HKUYNNGSSA-N 436.365 2.416 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881544 IJNPWPQSQSRCPS-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(Cl)c1 2270515258 WVWKHJQVRKRDDH-MRXNPFEDSA-N 437.861 2.333 30 10 IEEE COc1[nH]c(=NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317501814 PQLIWTDESSJKLE-OAHLLOKOSA-N 433.358 2.480 30 10 IEEE COCCn1cc(C#C[C@@H](N)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cn1 2318060827 AJLJKOJEEVMFFC-JOCHJYFZSA-N 441.576 2.235 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2329260419 JQCBFUAALQBOKL-UHFFFAOYSA-N 426.458 2.245 30 10 IEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)c1cnn(Cc2ccccc2)c1 2337198419 JNXDLBHBAXMLAB-INIZCTEOSA-N 435.337 2.455 30 10 IEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)c1 20528033 KAKIBWNPUKRZRN-LSHDLFTRSA-N 442.480 2.266 30 10 IEEE COc1ccc(C(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)cc1OC 21324419 YWFUCTKXYRJJNZ-WSDLNYQXSA-N 427.490 2.215 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 96924815 LAVWNRHYRHFZSC-GDNBJRDFSA-N 431.539 2.006 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)cc1OC 102715776 CMVBMKWWKNIIOC-GOBJLOIFSA-N 425.485 2.472 30 10 IEEE COc1ccc(NC(=O)C[C@H]2SC(=NN=Cc3ccc(O)c(OC)c3)NC2=O)cc1 252678930 HTGLLVWIDXWDAA-QGZVFWFLSA-N 428.470 2.360 30 10 IEEE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NNc1ccccc1C(=O)N1CCOCC1 254703040 LJBAANIZQDFYPB-UHFFFAOYSA-N 436.428 2.258 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccco2)n1C[C@@H]1CCOC1 461579677 DVNGWCAILKAFRG-MSOLQXFVSA-N 448.531 2.070 30 10 IEEE CCN(CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 462121582 PIBGCGQOQJIDOJ-ZDUSSCGKSA-N 447.927 2.083 30 10 IEEE C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(S(=O)(=O)N(C)C)cc1 481059246 NIRRGWYMXVLGTJ-ZDUSSCGKSA-N 425.507 2.128 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCNC(=O)[C@H]2c2ccccc2Br)c1 502555515 XWPJNTPBMDVQRM-GOSISDBHSA-N 448.342 2.268 30 10 IEEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 505143658 RVNDWTUQXYKOIK-UHFFFAOYSA-N 443.525 2.167 30 10 IEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N2CCCC2)CC1 508881889 TWCQRUOSFLLDKR-UHFFFAOYSA-N 447.543 2.217 30 10 IEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC1 520040479 FHKHPUPPHGOSRM-YOUFYPILSA-N 427.574 2.121 30 10 IEEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 520932420 CDLQDWZQLFBJJY-IBGZPJMESA-N 441.509 2.108 30 10 IEEE COc1cc2c(cc1F)CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 538599157 QGMQAZJHXNAMLD-LJQANCHMSA-N 436.443 2.496 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCc4nn(C)cc43)nnc12 569815761 CGPGCWDPTVDOCS-MRXNPFEDSA-N 449.540 2.250 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccccc1 609350419 QQODCCUWAMIWJB-UHFFFAOYSA-N 437.471 2.018 30 10 IEEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(C)c1S(=O)(=O)NC1CC1 610149261 XQNQUQNYLCLGBB-UHFFFAOYSA-N 444.488 2.010 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)c1 612193448 KENSYFOFRJFDAN-KRWDZBQOSA-N 426.538 2.216 30 10 IEEE CCn1nc(C)cc1C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 726322301 UMWYZCDGVZWNBF-SFHVURJKSA-N 443.529 2.347 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC(=O)N2C)cc1 757601136 VQORDKXLHOOZGL-ZCDKGFTFSA-N 442.516 2.090 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1 759163329 BWWHBHFKWYRKCG-LSDHQDQOSA-N 448.570 2.293 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CCCCC1 760387179 AIGWRKXQHXEOAT-SFHVURJKSA-N 429.542 2.448 30 10 IEEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)c4ccc(OC(F)(F)F)cc43)CC2)n1 760552015 RHKXVBRUUUJZPR-UHFFFAOYSA-N 431.374 2.161 30 10 IEEE NC(=NOCC(=O)N1CCC2(CC1)OCCO2)c1ccc(COc2ccccc2F)cc1 761308603 CESYXMSJIZEYNX-UHFFFAOYSA-N 443.475 2.407 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 763572032 VAYIJBOKXSISLU-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)Cc1ccc(Cl)cc1Br 767080453 DVBJALGOZVQADW-PFONDFGASA-N 448.726 2.048 30 10 IEEE NC(=NOCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(N2CCC(O)CC2)cc1 774826041 KCMFTRQLUVKURJ-HNNXBMFYSA-N 428.455 2.086 30 10 IEEE COCCCS(=O)(=O)N1CCC(OC(=O)CSCc2ccc(C#N)cc2)CC1 774972165 IGJLRBCVDDBWGL-UHFFFAOYSA-N 426.560 2.165 30 10 IEEE CCOC(=O)c1c(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)c(C#N)cn1CCOC 775767588 RJMCSZAISOEBMW-HUUCEWRRSA-N 449.508 2.171 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2c[nH]cc2-c2cnn(C)c2)cc1 778511638 LSAHSZGMRAEWQR-LYBHJNIJSA-N 426.502 2.480 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)CCCN1C(=O)OC(C)(C)C 790565702 UPHCPHDUJXUNKE-QHCPKHFHSA-N 444.532 2.417 30 10 IEEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(Cl)ccc1OC 792785783 ZFMPZJRAHJZMFH-KRWDZBQOSA-N 436.965 2.371 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)[C@@H](C#N)C1 796488010 BLEHRHISMQTONY-HNNXBMFYSA-N 427.505 2.195 30 10 IEEE CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(Br)c(S(N)(=O)=O)c1 797403674 VBLFJABEHQQHBM-UHFFFAOYSA-N 446.348 2.336 30 10 IEEE Cc1cc(Cl)ccc1CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 803418571 IOGMDWVHOPPZOL-UHFFFAOYSA-N 446.960 2.031 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C(F)F)C1 808318007 WMZADIPGWOGAES-CYBMUJFWSA-N 446.432 2.342 30 10 IEEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(Cl)cc1 810472292 IFDUQIIZZNLOFT-LJQANCHMSA-N 445.928 2.004 30 10 IEEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 811725765 JXWCTEVBSRBMPD-UHFFFAOYSA-N 432.427 2.254 30 10 IEEE N#C[C@@H](C(=O)Nc1ccccn1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 917508755 WNHDQDCPTZOUEJ-QGZVFWFLSA-N 446.916 2.483 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1 1125569972 DIFRNQGDUPIALA-YADHBBJMSA-N 449.507 2.173 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nn(C(C)(C)C)cc1C#N 1126758694 IDESYAQOFVWQEK-UHFFFAOYSA-N 431.518 2.091 30 10 IEEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N(C)[C@@H]1CCC[C@H]1C#N 1151299192 BIGDFJDBURQZBI-OXJNMPFZSA-N 429.546 2.220 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)cc1 1157242126 DFLOYOPGERXPIO-SFHVURJKSA-N 448.545 2.106 30 10 IEEE CCSc1ccc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)c(Br)c1 1167526946 HGOHGJZPCUIZNH-UHFFFAOYSA-N 437.319 2.054 30 10 IEEE N#Cc1c(F)cccc1SCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1189432149 ATUJHSZEKMPQGV-UHFFFAOYSA-N 449.529 2.127 30 10 IEEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCCN(c3ccccc3C#N)CC2)CCC1 1190819455 VYNWNLYOHRYOHC-FQEVSTJZSA-N 434.606 2.072 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1203384218 FJTHERGKCUBYFD-RHSMWYFYSA-N 425.470 2.324 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1286299457 VXJBRHKPLLGJJQ-WDEREUQCSA-N 430.427 2.243 30 10 IEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286378465 NPLWCDHFSPGQMH-INIZCTEOSA-N 442.511 2.356 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286386867 ITGBISBWUQEWEE-JKSUJKDBSA-N 437.516 2.346 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286389795 QYRIRFMDWQNQCN-YJBOKZPZSA-N 432.521 2.389 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1286426036 HIXMSPGLTRYBPK-UWJYYQICSA-N 445.445 2.142 30 10 IEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286534130 BPAUEZUEHUHPBO-OAHLLOKOSA-N 441.351 2.486 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cnn(C)c2)CC1 1286600501 AQOMIYQMRCPZKF-UHFFFAOYSA-N 427.553 2.224 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286628691 FFCOWPNDTZKUEJ-KBPBESRZSA-N 426.930 2.008 30 10 IEEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1 1287103706 SMMUBVPJQZRLOG-INIZCTEOSA-N 448.568 2.487 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1288775520 FIIOMIHEYMAHTA-YOEHRIQHSA-N 434.591 2.149 30 10 IEEE C[C@@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1288897653 ACRQCASJGKQJNO-XMSQKQJNSA-N 443.573 2.218 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)C1=O 1297061574 JMWVYVCFFPJVLZ-HCXYKTFWSA-N 435.565 2.426 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnc1C 1300281852 DUPQELOGSPFOSS-MRXNPFEDSA-N 426.546 2.402 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C(F)(F)C2(F)F 1300316418 RINGWCFYDPRXRP-UHFFFAOYSA-N 433.427 2.398 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1300471853 RVHKWIHBPRPJPN-NRFANRHFSA-N 436.560 2.316 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC[C@H]1CO 1300472021 VPPDYGYLDCGDLQ-QHCPKHFHSA-N 447.587 2.214 30 10 IEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300484452 SLUVWZMTVYXCTG-SIXWZSSISA-N 430.530 2.170 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1300915248 KTNGZQZJQWNMTH-MAUKXSAKSA-N 440.504 2.181 30 10 IEEE Cc1coc(C)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1304614603 QALBDALMYAHRTF-QGZVFWFLSA-N 441.513 2.336 30 10 IEEE CCc1nnc(N2C[C@H](C)O[C@H](c3ccsc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1306107707 AIIRCRILKYANGV-HTZASDLASA-N 442.545 2.395 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC=C(C)C)C[C@H]1O 1315113399 UPJAOBLCCUDMGP-UYAOXDASSA-N 439.516 2.445 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCc2cccnc21 1316210225 OFCXBDPLFQGXNQ-QRQLOZEOSA-N 426.521 2.246 30 10 IEEE Cc1ccc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC[C@H]2CCOC2)c1 1320026326 DZRNJNTWEQGNFL-MRXNPFEDSA-O 448.590 2.303 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2c(Br)cnn2CC)c1 1355983334 AXKMFBPLVKRCCR-UHFFFAOYSA-N 445.317 2.152 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1358918265 PFISDDITBFFULX-WZONZLPQSA-N 429.565 2.229 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1358919575 FQEFDYVNBIKIDR-MRXNPFEDSA-N 431.562 2.181 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962775 WSQWNBZDIXSIRL-NHCUHLMSSA-N 441.601 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1358992162 CBUWOOISLVOPMG-MSOLQXFVSA-N 442.564 2.241 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359097187 LUELCTKPUFLFMT-APWZRJJASA-N 433.578 2.278 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCOCC1 1359222782 SAOJPKAMACQRMY-UHFFFAOYSA-N 448.593 2.366 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1359230483 VEJPLYQUDZNAFX-UHFFFAOYSA-N 440.529 2.194 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C)C1CC1 1359251652 RIEKGVRCTXCWSB-INIZCTEOSA-N 437.591 2.184 30 10 IEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1359267951 YEFUDENWVZILHJ-UHFFFAOYSA-N 445.593 2.203 30 10 IEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)CC 1359301049 QHDOCFYQOWVUAA-QGZVFWFLSA-N 426.569 2.237 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCCC2=O)C1 1359312053 MRDOHFDRHRDIQZ-LJQANCHMSA-N 444.580 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1359332653 CTUCUBQALGFRLI-RTBURBONSA-N 446.573 2.385 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1359929626 KUXVNPBFWYVXPW-LJQANCHMSA-N 434.610 2.208 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CCCN(O)C1=O)Cc1cc(F)c(F)cc1F 1450266672 HYZRMPGCLCJVJR-MLGOLLRUSA-N 445.438 2.426 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1c2ccccc2C[C@@H]1O 1452663165 UPMNDRHEBOBZKL-RXVVDRJESA-N 427.526 2.060 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)c1 1455108581 KCDFPDHBIXWUAN-AWEZNQCLSA-N 449.326 2.094 30 10 IEEE C#CC[C@H](COC)NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1468141868 APIQICKCOVMCAM-LJQANCHMSA-N 433.505 2.142 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ncc[nH]2)c1 1469699219 HTIULESQJXQADZ-LJQANCHMSA-N 426.473 2.322 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1472265024 MZPRVUJYBVIAHO-MRCUWXFGSA-N 426.860 2.405 30 10 IEEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1473673787 SYAWNWDGXZSETJ-HNNXBMFYSA-N 429.945 2.210 30 10 IEEE C=CCN(C(=O)Nc1scc(C(=O)OCC)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1476987708 INAVWVPJRPTLIK-GFCCVEGCSA-N 444.531 2.309 30 10 IEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507558636 KGVGAFZFZNXWDB-UHFFFAOYSA-N 436.560 2.158 30 10 IEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1507637951 NPHUFTFGUYGQDJ-MRXNPFEDSA-N 436.603 2.481 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](CC)N1CCCC1 1507654287 YFFYQPXPOJQSJT-JOCHJYFZSA-N 446.603 2.399 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1507740452 UFEJPRPLIKMTGC-LEWJYISDSA-N 436.560 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCOc2ncccc2F)CC1 1507742483 JIWGXENMMXENCY-UHFFFAOYSA-N 428.512 2.056 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C)C1=O 1508036419 ORISTHAHQPERCU-HSZRJFAPSA-N 440.548 2.264 30 10 IEEE Cc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCN/C(O)=C1\N=CC=CC1=O 1511285085 FJKSCGFYKFBYDV-VNRULFPQSA-N 433.516 2.300 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1515094849 CSBUNOADMUXKKR-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE CN(C)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1516959117 FNCIYSKKGTYGFX-VQTJNVASSA-N 438.532 2.100 30 10 IEEE CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1517121265 DRTSRWGRTIVHGV-WTPASJBYSA-N 438.513 2.116 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1(N2CCCC2)CCOCC1 1519168050 ITEJZMRHUBVERQ-LJQANCHMSA-N 432.569 2.141 30 10 IEEE N#Cc1ccc(OC(=O)c2ccn(CCn3cccn3)n2)c(I)c1 1524627945 PSGUFPDISNCVTJ-UHFFFAOYSA-N 433.209 2.475 30 10 IEEE CON(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1527040911 QUHVZIFCDHGFPY-UHFFFAOYSA-N 442.541 2.135 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2cn3cc(F)ccc3n2)c1 1527211045 FCHRDEKNCZTPOF-CLCOLTQESA-N 429.477 2.467 30 10 IEEE COc1cc(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)c(F)cc1C#N 1530194563 UOILNTXHTCCELE-UHFFFAOYSA-N 426.466 2.181 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1 1534204375 FKHSVNBHYDEUNG-HXUWFJFHSA-N 428.514 2.090 30 10 IEEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1536732940 XZAAQLDZODCTRX-UHFFFAOYSA-N 430.896 2.145 30 10 IEEE C#CCN(C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)(C)C 1538021699 FDRWCTHCOAMVAE-UHFFFAOYSA-N 428.558 2.416 30 10 IEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539127794 PRTYJHTXCHJZBT-LJQANCHMSA-N 425.562 2.458 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1539178742 KASJZNWEEYSJMI-INIZCTEOSA-N 431.537 2.037 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](COC)OC 1539301594 RLRROTJAMXLQAU-MRXNPFEDSA-N 434.338 2.170 30 10 IEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCn1c(O)nc2ccccc21 1539377897 PBUKIGMQCGJSKJ-UHFFFAOYSA-N 449.540 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC=CCO2)CC1 1539482373 LVJXBZYVPAISOP-QFIPXVFZSA-N 433.556 2.488 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccs2)CC1 1539482960 YYQKFBIASKKUQE-GOSISDBHSA-N 427.574 2.442 30 10 IEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1540910551 JSSRJJVDAVIWND-UHFFFAOYSA-N 448.412 2.436 30 10 IEEE CC(C)Cc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541457055 PEWOCQZQXARIJO-IVLCKQPMSA-N 428.537 2.008 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC[C@@H](F)C1 1541673861 GEKXFPSWENLVLI-FUHWJXTLSA-N 440.527 2.148 30 10 IEEE Cc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1ccccc1Br 1542978501 RAOPPOBNHIQSOX-HTXNQAPBSA-N 444.289 2.199 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)c1 1544608409 PMQPCUUOSPDCAK-MANHQWRXSA-N 430.534 2.456 30 10 IEEE COc1cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)ccc1C 1554748210 CCKSCWOBJOPKIR-JKSUJKDBSA-N 434.566 2.186 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCSCCCO)c1 1555987977 VEFYLYINUUNHQE-UHFFFAOYSA-N 428.562 2.024 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C)c2I)c1 1557246274 CWHUZWFQEYWFFX-UHFFFAOYSA-N 443.266 2.372 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C 1586782558 NIBKTRXEPLKTOL-UHFFFAOYSA-N 428.489 2.018 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587615814 YVMIRCAVEIIHCC-IRXDYDNUSA-N 440.573 2.176 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)c(F)c1 1587915357 JTZAWRFTMRJBJU-QGZVFWFLSA-N 431.512 2.096 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1588459051 KXCVVPWQUVDHLV-INIZCTEOSA-N 439.582 2.244 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)CC1 1589559570 SUWOFPMTJVBLLD-GHTZIAJQSA-N 430.574 2.427 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNS(C)(=O)=O)CC1 1594202061 DXOQPLSPUURIJN-UHFFFAOYSA-N 441.561 2.287 30 10 IEEE CCOC(=O)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)COc1cccc(C#N)c1 1595582150 BRNGPOLHZFJIKM-SFHVURJKSA-N 431.489 2.242 30 10 IEEE CC(C)(C)NC(=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1597428737 VODZEDJYAWSZRJ-UHFFFAOYSA-N 425.537 2.415 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCOC)CC1 1615881890 IEMJCTFHWGJZDY-LJQANCHMSA-N 425.581 2.173 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2(NC(=O)OCc3ccccc3)CC2)C1 1624820246 XKLVKLPSGXRAQF-SJORKVTESA-N 428.489 2.321 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 1627466733 GSELKCVDHZXFNK-SFHVURJKSA-N 425.489 2.234 30 10 IEEE COC(=O)CC[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1633716496 DEAFHCKZSUOIFE-FUHWJXTLSA-N 449.573 2.332 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1636700178 PLNXLJQLUZXNPU-HOTGVXAUSA-N 432.546 2.034 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC3=CCSC3)nnc12 1638953576 PCZLTQBMWUACLY-UHFFFAOYSA-N 427.555 2.454 30 10 IEEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CCn3ncc(I)c3C2)cc1 1652510072 HOHMJWBTOPNQFV-CQSZACIVSA-N 431.237 2.084 30 10 IEEE COC(=O)[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C[C@@H]1C(=O)OC 1653676035 NFHCOQSBQWGYNY-ROUUACIJSA-N 438.484 2.115 30 10 IEEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc(C#N)c2)s1 1655746906 GJOWQHCTSWSRBO-CQSZACIVSA-N 441.600 2.483 30 10 IEEE C#CCOc1cccc(OS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)c1 1661414210 OTELOCGOPHOMFO-NHCUHLMSSA-N 445.493 2.443 30 10 IEEE COC(=O)C1(CCCCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 1682226605 NCBDJMFQTPMKIK-IBGZPJMESA-N 426.517 2.472 30 10 IEEE C#CCCN(CCOC)C(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1686542852 IVYBUGGLZLJNRO-SFHVURJKSA-N 435.590 2.297 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689994483 ZDLUDTDFIUZNMM-IBGZPJMESA-N 439.516 2.078 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1689999847 JTZLKIMHKZZCKN-AWEZNQCLSA-N 439.463 2.028 30 10 IEEE C=C(C)Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1690296635 BXMVFRHXAIOVGU-KDOFPFPSSA-N 431.459 2.011 30 10 IEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1690922929 CFTOMOVRFSHUMA-NRFANRHFSA-N 438.532 2.117 30 10 IEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC2)CC1 1691220463 LDALTELBDAFFIA-SJLPKXTDSA-N 446.552 2.158 30 10 IEEE CC(C)CO[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1692449563 KUNRVQWURVKDOM-UFVMTTLYSA-N 428.537 2.323 30 10 IEEE CCOCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1696406109 WKLFAFCUCUSPRQ-UHFFFAOYSA-N 432.532 2.284 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C2CC2)c1 1697306880 FAJCJTVZKPWGNK-MGPUTAFESA-N 426.521 2.174 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1705516668 GYCOEKKJXMGHRU-IBGZPJMESA-N 433.622 2.438 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1705517391 UXLVMZNUQZXTTN-LJQANCHMSA-N 431.562 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)c1c(C)noc1C 1705576754 PBNJKWRYCVEKRE-MRXNPFEDSA-N 441.499 2.402 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCCCC1 1705630562 XTHDFCQLXNAEAG-UHFFFAOYSA-N 430.578 2.122 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705651699 FYNBHQGBVXAIBF-IBGZPJMESA-N 432.638 2.293 30 10 IEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1705851502 JDICOJQLIGXGBJ-ZDUSSCGKSA-N 448.325 2.179 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1705883093 VHSPIBCLSAKPLR-UHFFFAOYSA-N 446.552 2.216 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705913638 UEITWHNJUVADFP-UHFFFAOYSA-N 438.576 2.054 30 10 IEEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1706060404 RWJHXHBHPDNJOP-NHCUHLMSSA-N 449.559 2.086 30 10 IEEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1706718908 CITIPUWYLXIWKK-RBUKOAKNSA-N 444.561 2.027 30 10 IEEE Cc1nc(Cc2nnc(N(C)C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1707744455 VXFUPNSQDJVMDA-HNENSFHCSA-N 427.534 2.149 30 10 IEEE CCCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1709879566 QLSNVYPKMGWALH-SJORKVTESA-N 447.561 2.479 30 10 IEEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1711175012 CTVGKCRHWPOIAQ-UHFFFAOYSA-N 441.442 2.362 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2OCCC2(C)C)cc1 1711885508 UQDBBXXSVZNODV-RBUKOAKNSA-N 427.505 2.410 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1712885328 HZZKKMSPRYSOEA-CYBMUJFWSA-N 432.422 2.276 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1722294077 UUJYEIAQSAYTER-DOMZBBRYSA-N 449.296 2.340 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)nc1 1722406843 WWWBDEOQZZKBOI-UHFFFAOYSA-N 438.557 2.407 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1722423160 XPNOIHVJDDMCBW-IBGZPJMESA-N 446.548 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722425346 VPLFWKIQYANVDG-OAQYLSRUSA-N 426.908 2.382 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722461664 DRKZTIFAGMPSFG-QFIPXVFZSA-N 444.605 2.192 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)CC1 1722509118 LSHXQRHINWYSCS-IRLDBZIGSA-N 426.565 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)CC(C)(C)C1 1722727142 IWPDPAMKLHRVDY-HNNXBMFYSA-N 449.577 2.479 30 10 IEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722739297 UTCLQPIUUQHTNG-SFHVURJKSA-N 425.562 2.294 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1722867183 FCMSTLLLSHPXJX-AYBZRNKSSA-N 448.568 2.218 30 10 IEEE CC(C)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1723216487 AYCIIXRCEXUHLX-XUTLUUPISA-N 438.536 2.077 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H](C)S1 1726666148 GRYHACGZJYRRJB-HOTGVXAUSA-N 449.602 2.208 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C[C@@H](C)O1 1730607986 BOGRJKSLFPFZOC-UZLBHIALSA-N 438.488 2.314 30 10 IEEE COCCCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)cc1 1730709398 FUMXKTIIKRACRW-HXUWFJFHSA-N 436.516 2.476 30 10 IEEE COCCN(c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CC[C@H](C)C1 1730737291 AJLJYRZRTFSTKB-VXHFXFQXSA-N 428.537 2.323 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1740620598 FHHBDTHTZKTSET-QGZVFWFLSA-N 427.555 2.385 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740642079 SKGMTNJNKSOECS-DQRAZIAOSA-N 448.914 2.122 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)cc2F)CC1 1740699146 WAKIMXSGYRTMFS-UHFFFAOYSA-N 425.487 2.221 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740787005 WMYVLSNTGAZDIO-HNNXBMFYSA-N 432.491 2.082 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@]2(CCOC2)C1 1740884178 RWPGJWVOUXVRJI-OAQYLSRUSA-N 429.477 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1740954435 MKKUMEVOSSFIRC-UHFFFAOYSA-N 448.527 2.420 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740988545 IQTPJJOMZPEHAZ-YZGWKJHDSA-N 446.573 2.416 30 10 IEEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1741975872 HYBUWHRKLRTCSJ-ONGXBYRLSA-N 432.475 2.066 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1745510468 ZRAVOBVMZBMRCC-INIZCTEOSA-N 441.536 2.062 30 10 IEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(C)c2C)cc1OC 1746804050 HTHJVTFISXXGFP-GOSISDBHSA-N 437.504 2.171 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnn(-c2ccccc2)c1 1748888345 UEYXWPMYSBITIG-NRFANRHFSA-N 427.512 2.121 30 10 IEEE COc1cccc([C@H](Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)N(C)C)c1 1748917029 WRKDZBGFYSCNMT-QFIPXVFZSA-N 446.559 2.491 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)C2CC2)CC1 1748977022 CBKOLKKHMMBYMG-UZUQRXQVSA-N 427.524 2.473 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1749226051 MUJQCZIAQQRICA-QGZVFWFLSA-N 448.568 2.315 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1749239710 OIMMKNWCYNVSSI-GOSISDBHSA-N 425.489 2.321 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnnn2CC2CC2)CC1 1749323691 JFYFYQDNLSUMFU-UHFFFAOYSA-N 427.557 2.044 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 1749600306 VIDIMVDPZMGAKP-YLJYHZDGSA-N 430.505 2.235 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1749657873 DQFRPZHLRUTGJT-HNNXBMFYSA-N 445.321 2.047 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)C(C)C)C1 1749699979 FXBLNAJTHTYCOD-SIKLNZKXSA-N 438.536 2.109 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(C)CN(C)C2=O)C1 1749717595 MWEXWDIOBYPBAE-CVDCTZTESA-N 425.533 2.159 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1750951604 PDOSPHBZLAHKRG-UHFFFAOYSA-N 434.500 2.417 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@](C)(O)C(C)C 1750965914 CJZLWJYWOABPID-QHCPKHFHSA-N 439.564 2.022 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCNC(=O)C2CC2)c1 1760126317 UVDYIKFVCGEIMV-UHFFFAOYSA-N 446.511 2.429 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)CCC 1760175224 XFZNEIXUDQOHNB-GOSISDBHSA-N 434.585 2.388 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760271590 CXRRNTGDZMLTSP-MHECFPHRSA-N 438.576 2.027 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1760314241 VHYIXQMTNVBKMW-RHSMWYFYSA-N 435.960 2.421 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760376472 QSGXWVORYCNEFK-ZDUSSCGKSA-N 445.923 2.418 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CC(=O)N1CCOCC1 1761518085 DBUZTKBVTPDUAD-INIZCTEOSA-N 442.495 2.156 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)c1ccccc1 1764187193 GEJCYTNCXYRFIG-PXNSSMCTSA-N 439.564 2.450 30 10 IEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)N2CCOCC2)cc1OC 1770023019 GEXPDDLJGQLCEY-KRWDZBQOSA-N 440.548 2.423 30 10 IEEE CS(=O)(=O)CCCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770332048 DQLAERWWJCQLCE-UHFFFAOYSA-N 442.589 2.174 30 10 IEEE COCCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1771053235 ZCEAHEJAOHUHRO-UHFFFAOYSA-N 431.544 2.494 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccsc1)N(C)C 1771305318 ZDZOAVGDMUMUDR-WNHJNPCNSA-N 446.577 2.095 30 10 IEEE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751106 IDHUJAWDFUJAFG-UHFFFAOYSA-N 443.460 2.235 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc(OCC(=O)C3CC3)cc2)CC1 1851179851 IPZDKTKPSREROT-UHFFFAOYSA-N 434.496 2.290 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSc3nccc(=O)n3C2)c(I)c1 1851343723 DNKTWQZZZCJAHR-SNVBAGLBSA-N 438.250 2.080 30 10 IEEE Cc1nn2c(C)c(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)cnc2c1C#N 1851379403 AHOSVHJTSRKMMV-UHFFFAOYSA-N 437.935 2.423 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 1851875972 RCQZXDNGZCIQGE-CQSZACIVSA-N 447.948 2.169 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CCCCN2c2nccs2)CC1 1851901434 PNLDGYMOYHZSKK-SFHVURJKSA-N 426.546 2.134 30 10 IEEE N#Cc1ccc(CN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)c2cnccn2)cc1 1852495411 ORTKMQAKTKXBHW-UHFFFAOYSA-N 441.447 2.382 30 10 IEEE Cn1nncc1CN(C(=O)CC#N)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 1853440372 FUNUEPNEVWMBIF-UHFFFAOYSA-N 434.479 2.322 30 10 IEEE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C)[nH]n2)C(=O)Nc2ccc(C#N)cc2)cc1 1866831504 RWORBDSCDGLGTQ-FQEVSTJZSA-N 431.452 2.495 30 10 IEEE Cc1ccc(C(=O)CCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870143826 DLUWTTNXSVBJMV-UHFFFAOYSA-N 442.435 2.275 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CSCCO 1870198790 ZKFBIMGPDGKYNJ-UHFFFAOYSA-N 446.525 2.454 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCCC5)C2)c1 1889487358 BPUGWKUXFMRQJF-HZPDHXFCSA-N 437.525 2.106 30 10 IEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC2CN(c3cnccn3)C2)CC1 1891398532 OZWRJEXPCPRLHP-UHFFFAOYSA-N 435.513 2.286 30 10 IEEE C=CCN(CC(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1895864048 FVWFTPWSVORCSO-ARFHVFGLSA-N 427.542 2.190 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N[C@H](CS)C(=O)O)CCN(Cc2ccccc2)CC1 1984838755 YSVYBQCYTXMWAC-MRXNPFEDSA-N 437.562 2.045 30 10 IEEE CCC[C@](N)(C#N)Cn1c(C)nc(I)c1I 1995381442 WZQPWNDIDZUNCG-JTQLQIEISA-N 444.058 2.422 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCC2(CC1)COCCN2C(=O)OC(C)(C)C 2054333394 HJVAGOZMWNHRDS-UHFFFAOYSA-N 439.372 2.327 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060626228 UZLUKKJUTRDDLF-HNNXBMFYSA-N 432.330 2.408 30 10 IEEE CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2064340818 AGPIJGQXBSYZLH-QGZVFWFLSA-N 434.342 2.224 30 10 IEEE N#Cc1cc(F)cc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2195348531 OJYNUXABEMDTPV-GOSISDBHSA-N 434.445 2.382 30 10 IEEE Cc1nc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247904389 AKVSTDUGOFKHQG-QWHCGFSZSA-N 437.371 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@]2(CCCOC2)C1 2255593826 DYYJQTVPAWCTDO-AOMKIAJQSA-N 434.342 2.296 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2255675713 FRUBVXUCGYDVID-UHFFFAOYSA-N 426.244 2.045 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2255826710 RGTNLJSBOHXNSZ-AWEZNQCLSA-N 434.346 2.084 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255827606 ZDSRCGDWFWLHJB-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255872815 DUSQZAXMQZQPIL-CABCVRRESA-N 433.358 2.215 30 10 IEEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255946373 GFTAYMDCYIEUFP-UHFFFAOYSA-N 432.326 2.431 30 10 IEEE CN(C[C@@H](O)CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2256897715 WOHVDQCUVSPTEY-HNNXBMFYSA-N 439.337 2.184 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256930109 ZVJHUJXWWMLYOP-CJNGLKHVSA-N 446.334 2.231 30 10 IEEE CCn1cc(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267171328 INRVNEHJZFFZPF-UHFFFAOYSA-N 448.373 2.235 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C 2267182712 IKLUQTKSFOIIPB-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188341 KVYNBMAWNKWAOV-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267217824 MPNDILNMKUCVKZ-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267548141 DRFOYLYDCBYRDK-OAHLLOKOSA-N 446.357 2.105 30 10 IEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881107 XOHSBTGTQVJXHV-CABCVRRESA-N 446.357 2.151 30 10 IEEE Cc1nc(NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268679506 FIFMJKXFZOWJTH-AWEZNQCLSA-N 444.341 2.280 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2268697706 HRQGOPYNVCZYMZ-QHCPKHFHSA-N 446.353 2.286 30 10 IEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273773529 RGDGBXLEBFXHAV-CRAIPNDOSA-N 448.369 2.185 30 10 IEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1C 2296924020 NDJKSXUAQBCRIF-NRFANRHFSA-N 437.496 2.153 30 10 IEEE COc1ccccc1C=C1SC(=O)N(CCN=C2NS(=O)(=O)c3ccccc32)C1=O 2297336641 OSGYINXIIYIVMX-UHFFFAOYSA-N 443.506 2.470 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[nH]1 2315393014 XVNKPGQDBYXCSA-QGZVFWFLSA-N 433.358 2.159 30 10 IEEE CCOC[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2326114171 FUNOAXXQHLIMDG-CVDCTZTESA-N 446.548 2.081 30 10 IEEE COc1cccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)c1O 2328531505 ZAJJWSWKZHUMKW-UHFFFAOYSA-N 429.458 2.458 30 10 IEEE N#C[C@@H]1CC(F)(F)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338915753 MRPFZAAFNRLIIN-AWEZNQCLSA-N 425.457 2.406 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCc3cccc(Cl)c3)n2N)cn1 20920657 MZDRXQPUJSGVAN-GZIVZEMBSA-N 447.956 2.277 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)c(OC)c3)n2)s1 58995213 ZIFDNHHTUHPZQE-REZTVBANSA-N 434.507 2.110 30 10 IEEE COc1ccccc1-c1cc(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)n(C)n1 96351177 SNVXZUBJWQMDPU-UHFFFAOYSA-N 429.480 2.407 30 10 IEEE N#CCCn1cc(/C=C/C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c2ccccc21 108647576 MSBNDDSOAMZJRT-ZHACJKMWSA-N 429.480 2.100 30 10 IEEE C[C@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccncc3)ccc2O1 135646554 PCUPJZYQNCNYIZ-MFNABZLCSA-N 449.507 2.159 30 10 IEEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1-c1ccc(Cl)cc1 253572719 QNBYFCNUVLLMLJ-UHFFFAOYSA-N 429.893 2.209 30 10 IEEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NCc1ccco1 253579655 ZWWGSAIYBLGRFX-CNHKJKLMSA-N 446.405 2.069 30 10 IEEE COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C 254492411 UXMNTIQAECHWQO-UHFFFAOYSA-N 449.309 2.232 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cc(C#N)ccn2)c1 436020989 STTFZEFZZRPAAS-UHFFFAOYSA-N 443.529 2.073 30 10 IEEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)c1 440375440 CWHQPIDMPLBUJR-UHFFFAOYSA-N 447.560 2.382 30 10 IEEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 441915032 NUSZHWSARWKAMD-FQEVSTJZSA-N 430.505 2.050 30 10 IEEE CCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447782504 HASOURYURZEWEN-UHFFFAOYSA-N 449.580 2.171 30 10 IEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460372630 RQQUZQKVGLRFSP-CVEARBPZSA-N 435.532 2.341 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 472302567 CJVCMWCBWNCRGP-UHFFFAOYSA-N 449.554 2.090 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)Cn3cnc4ccccc4c3=O)c(C#N)c2N)cc1 479543215 QJQKEQQYDYAMRM-UHFFFAOYSA-N 441.495 2.094 30 10 IEEE COC(=O)c1ccc([C@@H](NC(=O)N(CCC#N)CCN2CCOCC2)C(F)(F)F)cc1 482450396 JDGUELBLBSHJTI-QGZVFWFLSA-N 442.438 2.334 30 10 IEEE N#Cc1ccc(OCCNC(=O)NC[C@H](O)COc2ccccc2Br)cc1 486092044 HDIPOJBFBBELFW-HNNXBMFYSA-N 434.290 2.439 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 503637093 YKUCXFZYDGYVPZ-MRXNPFEDSA-N 435.955 2.058 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)Cc1nsc(N(C)C)n1 507540181 WKVSKOVWTRQBFE-UHFFFAOYSA-N 434.547 2.243 30 10 IEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508797576 OKQDOSUTGNKQLK-CYBMUJFWSA-N 441.504 2.400 30 10 IEEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508886713 DJTZPHIIMGKOCB-UHFFFAOYSA-N 428.606 2.445 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 555287830 QPPNZKZXEMTGTG-KRWDZBQOSA-N 441.536 2.466 30 10 IEEE CC(C)c1nc([C@H]2CCCCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 569634642 WHYSHUFUSVRXTC-QGZVFWFLSA-N 431.518 2.487 30 10 IEEE N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(F)c1 586858978 NWWGHFPZGLUIFF-HNNXBMFYSA-N 443.866 2.239 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CC(C)C 726179686 MQBVTWVUXNHOEW-UHFFFAOYSA-N 435.553 2.265 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(C[C@H]2CCCO2)C1=O 730136748 AQIQEDXJTURDPO-UXHICEINSA-N 444.601 2.354 30 10 IEEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)no1 730142877 QDRGEJOZNVIWHW-QGZVFWFLSA-N 433.509 2.322 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2-c2ccccc2)C1=O 730444821 PXAKEOHXWJZISZ-MRXNPFEDSA-N 439.476 2.069 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 743908946 MJFRQOCZGQNAJQ-HNAYVOBHSA-N 441.532 2.410 30 10 IEEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CCC(=O)N2C)cc1 744008174 YJNUFAJUZWXKLF-CTNGQTDRSA-N 441.509 2.123 30 10 IEEE COc1ccc(COC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1C#N 747038175 XJWFIVITIIPMQD-OEMHODTASA-N 433.464 2.413 30 10 IEEE CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 753558921 OMJBVHRYBBSFPP-CQSZACIVSA-N 428.880 2.090 30 10 IEEE O=C(NCC#CC(=O)N1CCOC[C@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757471202 OVTCBRLANUBXSA-QGZVFWFLSA-N 448.475 2.088 30 10 IEEE O=C(O)C#CCNC(=O)[C@H]1CC[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)O1 757472262 WBKPVPIVDVRQKW-KSFYIVLOSA-N 448.475 2.277 30 10 IEEE COc1ccc(CN(C)C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1OC 757741846 CQADTEICWNZNNF-UHFFFAOYSA-N 425.441 2.371 30 10 IEEE Cc1occc1C(=O)NC1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758774730 USPMTEJRDUEQJS-QAPCUYQASA-N 445.520 2.251 30 10 IEEE Cc1ccc(-c2noc(COC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)n2)cc1 767636071 IFXSYZBCSNRBRA-AWEZNQCLSA-N 426.454 2.327 30 10 IEEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 780682722 RGVZFRHRIOVGEP-UHFFFAOYSA-N 426.472 2.341 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 788581522 WWSUAOOTYAKJTR-AXVPLRHPSA-N 447.561 2.024 30 10 IEEE COCCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=Nc2ccccc2F)cn1 789969541 VHNFELKMNQLZLF-UHFFFAOYSA-N 426.481 2.442 30 10 IEEE C=CCOc1cccnc1C(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 792091306 SJUXHSYIXBRJFC-UHFFFAOYSA-N 425.507 2.106 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@H](C#N)c2nccc3ccccc23)c1 792104058 WKYUNIKRMAWXEI-IBGZPJMESA-N 438.509 2.303 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(O)(c4ccc(Cl)cc4)C3)C2=O)cc1 802666001 FPSANTRZDVCBME-GOSISDBHSA-N 438.871 2.147 30 10 IEEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 805783212 UPUNZSNXIHSCBY-JOCHJYFZSA-N 425.554 2.478 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 812186185 MTJRTMUQDVGYMV-QZTJIDSGSA-N 448.568 2.268 30 10 IEEE CC[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)n1nnc(-c2ccc(Cl)cc2)n1 916775182 MVNHWWZMQMUQNI-QGZVFWFLSA-N 444.904 2.462 30 10 IEEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 1134490470 ODDGSSWMJOVIEU-WHSLLNHNSA-N 435.546 2.116 30 10 IEEE C=CCOC[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1139175468 GEFOWJGJPPSIAO-OALUTQOASA-N 443.500 2.253 30 10 IEEE N#Cc1c(CCCNC(=O)CN2Cc3ccccc3OC2=O)nn(-c2ccccc2)c1N 1141514717 BIAXLIBWGDUIRS-UHFFFAOYSA-N 430.468 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C2)C1 1141630324 NWKUGUPKKRVJCR-DMAKZNTKSA-N 434.518 2.210 30 10 IEEE C=CCOC[C@@H](NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)C(=O)OC 1155779484 NBTHXBHWYLOPSI-GFCCVEGCSA-N 432.786 2.414 30 10 IEEE C=CCC[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1157760659 NIPLOAJXPINHNS-LLVKDONJSA-N 428.860 2.471 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C12CCC2 1163819037 BQDOFTIQSDMVGN-ROUUACIJSA-N 447.557 2.425 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@](O)(c4ccccc4)C3)C2=O)cc1 1166873554 AVDFEYWFPXCKTA-YKSBVNFPSA-N 432.480 2.273 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1213865424 HLHOGHHPJGKJTO-HUUCEWRRSA-N 449.451 2.490 30 10 IEEE CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1231030024 BIOJIUGFUZANKV-DBVUQKKJSA-N 448.589 2.414 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCN(C(C)=O)CC1 1286276298 XDYKYQDIZQNEJQ-INIZCTEOSA-N 446.502 2.169 30 10 IEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286321737 AGNDFEAFKCXOFH-QGZVFWFLSA-N 438.532 2.127 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1286436918 ASYZZOFVINBLMT-DEOSSOPVSA-N 445.608 2.425 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286491198 IQRAGWXHZSOAOY-INIZCTEOSA-N 432.569 2.062 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1 1286567060 ULMXLGMKFVTBQK-OPYAIIAOSA-N 425.533 2.192 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286605235 SXCLTXXTMJKLLA-SJLPKXTDSA-N 426.477 2.161 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2)C1 1286810752 VJAHWEZEGLHWLD-QUCCMNQESA-N 446.573 2.213 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1290175953 AVIRTCUXAXKECU-LEWJYISDSA-N 425.533 2.492 30 10 IEEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)OC 1293962911 ICDBCFDQIXAAHR-RTBURBONSA-N 446.577 2.150 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300491058 DMXVEGCCHVTYTA-QGZVFWFLSA-N 431.562 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N1CCOCC1 1300512600 ZDPBXGAJIMOIHR-KRWDZBQOSA-N 429.471 2.340 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1300620832 GYTLRUDSFUYYTH-INIZCTEOSA-N 426.487 2.353 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCCC1 1300654593 ADVLNPOPJATAAD-UHFFFAOYSA-N 446.573 2.397 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)nc2)CC1 1300701615 XJJXAWCSALVARG-UHFFFAOYSA-N 433.535 2.273 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[C@@H]2C)CC1 1300730601 CGOWIUXLWHCOEE-HKUYNNGSSA-N 437.544 2.488 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1301112404 VDHOSWFZNDRKQL-QFIPXVFZSA-N 443.573 2.229 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1301198791 CPALCQCNZRLNSV-GAJHUEQPSA-N 439.516 2.052 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301606038 HXAQCDBTDVHOFC-QGZVFWFLSA-N 427.578 2.397 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301919692 DWPDHHMUQJLTHF-LJQANCHMSA-N 432.532 2.145 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCCC2=O)CCO1 1303001566 DLKBKCZSIKZHCU-INIZCTEOSA-N 429.912 2.125 30 10 IEEE C=CCCC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1309999258 XNHWIBKJMRDHMS-HNNXBMFYSA-N 429.564 2.018 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1312615292 HLEYPVVTNMHRFJ-QXCFHYIPSA-N 433.553 2.403 30 10 IEEE N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C2 1312644194 MAAKGJAWTPWNRX-HXUWFJFHSA-N 436.487 2.440 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@@H]2CCN(CC(F)F)C2)nn(-c2ccc(F)cc2)c1N 1312883669 DEELQOMSGYLMHZ-CQSZACIVSA-N 435.454 2.036 30 10 IEEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CC(=O)Nc1ccc(F)cc1 1316536156 COMIFYDORYLXND-UHFFFAOYSA-N 439.495 2.308 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1358918263 PFISDDITBFFULX-JPYJTQIMSA-N 429.565 2.229 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1358931682 JHZMEQIYSHJXFM-NRFANRHFSA-N 449.603 2.200 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1358948396 BOCNAFIVZZTSNM-CQSZACIVSA-N 428.436 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358975916 JEBZUQWMNAGPGG-UHFFFAOYSA-N 433.537 2.314 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2C[C@@H]2C)CC1 1359029045 MWOCTBMNCFNUAA-WMZOPIPTSA-N 426.952 2.273 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(=O)NCC)CC1 1359037295 DOAZYCVXUFUMEZ-UHFFFAOYSA-N 447.587 2.268 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1359113384 HKBVXXKJXMGUFS-GOSISDBHSA-N 435.550 2.132 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359132134 OJBAHLUFXZJUFX-IAGOWNOFSA-N 448.568 2.315 30 10 IEEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCNS(C)(=O)=O)CC1 1359162693 AENOJCKIJYMAPQ-UHFFFAOYSA-N 440.367 2.413 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359299257 AEKTYJRJIPGLRM-UXHICEINSA-N 447.580 2.376 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359309353 PJEXMBHXFUCSIF-UYAOXDASSA-N 449.511 2.313 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359331627 DSIHCCHWDGFFFQ-OALUTQOASA-N 438.594 2.373 30 10 IEEE CC(C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1359662331 XTWTYPNTFBCYLG-WMZOPIPTSA-N 443.552 2.101 30 10 IEEE CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359784898 RXOHRXWEIYBBMC-MRCUWXFGSA-N 430.553 2.256 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1360750518 XNSHGKXGVNBLNR-KFKAGJAMSA-N 431.468 2.091 30 10 IEEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)c(C)o1 1360997318 FVIHTECSDGDLEC-MBSDFSHPSA-N 434.500 2.246 30 10 IEEE C#CC[C@H]1CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1438016401 HEGUDRCJCCEDNG-KRWDZBQOSA-N 426.542 2.028 30 10 IEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1449814209 FXFVJTXAZOIRAZ-KRWDZBQOSA-N 430.505 2.395 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2ncc(I)n2c1 1461386304 LVOIRNZIXRYJCZ-UHFFFAOYSA-N 439.253 2.356 30 10 IEEE C=C[C@H](C)ONC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1469733851 VOURIAORFQBXGQ-SFHVURJKSA-N 429.542 2.429 30 10 IEEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@](C)(C(F)F)O1 1470274887 IMXYBMWIQDGPAD-XOBRGWDASA-N 441.500 2.230 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(NS(=O)(=O)NC)CC1 1476728452 AWUSCAMHFNMMDU-UHFFFAOYSA-N 447.355 2.064 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1sc(C)nc1C 1504994159 JAIBPEMSOMFQNW-MAUKXSAKSA-N 445.593 2.300 30 10 IEEE COCCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1505015611 RYRQZZSKXKSXNK-FQEVSTJZSA-N 434.500 2.066 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCCCCC1=O 1505058088 GGOUEDGIEXQWFB-BJLQDIEVSA-N 432.569 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(CC)C(C)C 1507520903 HZJNCKTWDPTMPS-SFHVURJKSA-N 446.621 2.384 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1507645098 VCEXWDOLCHOXLN-QZTJIDSGSA-N 430.516 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)SC 1507662242 GUUOOZKWDIDIHP-QGZVFWFLSA-N 445.614 2.410 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](SC)C(C)(C)C)CC1 1507733503 AUVMIBJJTFAZGB-KRWDZBQOSA-N 448.637 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCC)CC1 1507742673 NMIHJVDXCKMEFC-UHFFFAOYSA-N 431.487 2.149 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507760313 XCJAFFZMQUSLAO-SFYKDHMMSA-N 428.581 2.006 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1507836130 XWLZECXFIBKXAQ-UHFFFAOYSA-N 442.564 2.344 30 10 IEEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1507995047 CVZVXXDXULLKMS-HXUWFJFHSA-N 426.613 2.321 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1508117501 RPILUPYQMKUGHL-MOPGFXCFSA-N 438.532 2.277 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1508777426 FAHGKKTWEWZJHB-LJQANCHMSA-N 437.548 2.036 30 10 IEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1Cc1nnn(C)n1 1510246787 HCMZHCRUCIQCJB-CQSZACIVSA-N 425.472 2.259 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCn2ccnc21 1517451349 HQGSCCNBKKMWAF-VQIMIIECSA-N 432.532 2.409 30 10 IEEE COc1ccc(CNC(=O)CNC(=O)COc2cccc(Br)c2C#N)cc1 1518697589 AXFIAMCPGPRIJK-UHFFFAOYSA-N 432.274 2.141 30 10 IEEE COC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1)OC 1518730549 FCQCTAOFKLVSPQ-FOIQADDNSA-N 432.550 2.061 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1538976664 OARISYVCKKQLDV-OPAMFIHVSA-N 430.553 2.129 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2CCS(=O)(=O)CC2)c1 1539042266 DRXYZECRZQIAMA-UHFFFAOYSA-N 441.557 2.037 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1539202710 KJQYQJVBJXIYIG-IRXDYDNUSA-N 444.557 2.042 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539219976 GIBPDBACQLYZBD-IRXDYDNUSA-N 449.602 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1539296310 OHMLNNOGYJBOOK-WZONZLPQSA-N 425.508 2.087 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccccc2F)CC1 1539446098 QIDBFWVHKMLEMM-LJQANCHMSA-N 442.564 2.057 30 10 IEEE C=CCN(C)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1540062017 BUHDTXRAWLQLRK-UHFFFAOYSA-N 425.555 2.085 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC(C)(C)C1 1540194740 ZEPQBSMKUBUZOB-UHFFFAOYSA-N 443.548 2.423 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541803200 DRHKFGKCPZABRU-FUHWJXTLSA-N 446.577 2.209 30 10 IEEE Cc1nc(CCn2c(N3CCC(CC#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1542945152 ANCUFVXPPNDBDO-NRFANRHFSA-N 428.541 2.118 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1547319791 BSENIYVPWIYSLL-IBGZPJMESA-N 440.548 2.458 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1547419187 PCIFBBUURVSFFY-IBGZPJMESA-N 443.527 2.385 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(Cn4cncn4)CC3)C2)C1 1556293346 SDBDMDBKUVVWEB-WUZYXKQASA-N 428.537 2.304 30 10 IEEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 1561137164 CSCLRRSCTMVOOF-INIZCTEOSA-N 430.505 2.225 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC 1561725326 UKYIGEYMSMSPNC-UHFFFAOYSA-N 435.420 2.458 30 10 IEEE C#CCOCCNC(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 1562914891 BTLZPKAYZXHVNL-UHFFFAOYSA-N 446.548 2.389 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1569064113 AQIMPMFODODUBQ-BFHYXJOUSA-N 433.933 2.119 30 10 IEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C1CCN(C)CC1 1585115002 IPNDNJWCQZIPEA-UHFFFAOYSA-N 447.601 2.430 30 10 IEEE Cc1cc2nccc(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)n2n1 1585708795 CRLSWCUJVFAOCV-UHFFFAOYSA-N 426.502 2.275 30 10 IEEE COC(=O)CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1CCOCC1 1586955166 MXPCRKHDVZEHOA-BNGSBABLSA-N 449.548 2.344 30 10 IEEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1587438279 AMZNXZDVWKFUIG-INIZCTEOSA-N 446.504 2.087 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1 1587555143 CUMYOIRJZCJQEX-QGZVFWFLSA-N 445.527 2.328 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1587633405 UYNOGCXKVGIIET-PNLZDCPESA-N 433.553 2.002 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)c2)c1 1587855636 LMXSTMKFXFDMNN-FGZHOGPDSA-N 442.475 2.241 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1588055482 WKUBQEMGKVKSOP-HNNXBMFYSA-N 448.618 2.370 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1588069887 UPODTHKQVPSWAV-KRWDZBQOSA-N 434.949 2.279 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccnc1OC 1588241842 WVDCPTKKHURKEG-UHFFFAOYSA-N 425.496 2.431 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@H](c1cccs1)N1CCOCC1 1588254531 YNEQAYQMQFCFEE-LJQANCHMSA-N 427.574 2.413 30 10 IEEE C=CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N1CCOCC1)C1CC1 1595064862 CGRZQSJVSHADOZ-UHFFFAOYSA-N 425.533 2.086 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O 1595120102 MQABDUPAWOJUTE-JOCHJYFZSA-N 428.512 2.226 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C 1595467300 RDEAIKZMCKHSKF-CQSZACIVSA-N 448.980 2.105 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)C1 1595489768 IMBIEKVDOQSFBV-NSHDSACASA-N 425.356 2.280 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C#N)CC1 1595496916 KRSLERCLYIZDRK-UHFFFAOYSA-N 440.504 2.013 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1595687829 DBGBZTSXFQCLBW-KLHJMIIUSA-N 429.477 2.175 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)cc1 1598395501 XBLXHUGRUXMLQS-MRXNPFEDSA-N 433.452 2.447 30 10 IEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CCCO1 1612977445 DEZNZBJAOFIZAZ-SFHVURJKSA-N 442.589 2.393 30 10 IEEE C[C@H]1CCc2nc(NC(=O)c3cn(CCNC(=O)OC(C)(C)C)nn3)c(C#N)cc2C1 1617371208 PQPFYVPPPAHQAN-ZDUSSCGKSA-N 425.493 2.447 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1617869397 WITBAFQBEJTXTD-ZWKOTPCHSA-N 437.504 2.016 30 10 IEEE CNC(=O)[C@]1(C)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1618244847 RQYLMHWNFHAOCZ-FDDCHVKYSA-N 426.517 2.377 30 10 IEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)(C)C 1618978068 DGHUVHMODRIVBM-MOPGFXCFSA-N 437.548 2.434 30 10 IEEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1619390811 HYUCGHJYUHVWNR-VGSWGCGISA-N 428.512 2.364 30 10 IEEE COCCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1619836138 RYQJKSVXMNBUDV-UHFFFAOYSA-N 448.575 2.440 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1 1620465415 TVUFCYAXMVSDHR-UHFFFAOYSA-N 443.479 2.308 30 10 IEEE Cn1cc(I)c(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)n1 1622601389 UGOVNGVUAJUHPS-UHFFFAOYSA-N 432.225 2.216 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@@H](C)O)cc1 1627683534 YMQHKHMBGMUZDM-UZLBHIALSA-N 427.526 2.090 30 10 IEEE C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1631874093 NHEAUIAODMDACW-NWDGAFQWSA-N 433.324 2.142 30 10 IEEE C=C(C)C[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1633301505 SFOIATZKWPWGTB-JKSUJKDBSA-N 435.525 2.478 30 10 IEEE CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1633661371 RIBSNYMCRXEFGS-HRAATJIYSA-N 425.526 2.392 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 1634430064 CCNGMJRRCHCZSG-SFHVURJKSA-N 435.471 2.442 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H]2C1 1635213890 OUXRIJBQLHSRBN-NXOAAHMSSA-N 434.537 2.461 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC 1636710065 MTKHVJGLVJJNMU-YOEHRIQHSA-N 427.339 2.196 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1638074140 AYBRHOSQMMADIM-JOCHJYFZSA-N 443.613 2.180 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] 1638257614 UWFFOOCWWORAFQ-AWEZNQCLSA-N 448.430 2.450 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c1 1638496532 ZXVCGNXMIXBWEA-HDICACEKSA-N 433.432 2.426 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1638945740 UUAZJPUOGDJUMM-UHFFFAOYSA-N 430.530 2.312 30 10 IEEE CCCCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CC1 1639265349 LWDZXWMHGBFZRK-NRFANRHFSA-N 432.590 2.437 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)s1 1643808497 DVVNOXBVNPAGCQ-UHFFFAOYSA-N 448.545 2.114 30 10 IEEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(CC2CCC2)c1 1647776716 CGCMDPIUOGPBHY-CABCVRRESA-N 429.546 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2Cc2ccc(C#N)cc2Br)C1 1655497865 AJTJBJGOOKJPTP-UHFFFAOYSA-N 435.322 2.242 30 10 IEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)c1 1672022204 HFEOCZRSJAUBQZ-WJOKGBTCSA-N 441.513 2.143 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1689914067 ZOPFPZXWSDGARS-GOSISDBHSA-N 442.539 2.181 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689987741 BOONHWJGRGEHOI-KRWDZBQOSA-N 431.537 2.036 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)c1ccccc1 1690103224 BBBXGTWJLQMRSK-UYAOXDASSA-N 430.574 2.460 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1690174461 DQZJLGPNLXTZSU-IPMKNSEASA-N 448.589 2.489 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1690181364 WDAJOGRWAXVPKJ-QGZVFWFLSA-N 427.574 2.105 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690184493 KDLFNCSBLDXBMF-QFBILLFUSA-N 443.548 2.420 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1690241141 PAELTYCRUSGYCV-YRNRMSPPSA-N 441.532 2.255 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)CC1 1690252978 LBONPJRHBVCKLG-GCJKJVERSA-N 425.533 2.473 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)CC1 1690397285 ZULUBZQXTSCQRX-MRXNPFEDSA-N 445.589 2.468 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690502855 IENVQAUNPDGYJD-ZWKOTPCHSA-N 441.532 2.270 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1690681464 QSKWCAJUIFXEEN-DEOSSOPVSA-N 449.559 2.455 30 10 IEEE C[C@@H]1CCCN1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1693691679 LSAUXVWGLHJRSY-GDBMZVCRSA-N 448.369 2.259 30 10 IEEE CN(C[C@@H]1CC=CCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696740656 ALCVYXPAZGLWLT-LNQCCUSDSA-N 440.548 2.491 30 10 IEEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)OC)CC2)n1 1697628396 BHTJGDJNPRIYFD-UHFFFAOYSA-N 448.531 2.367 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)N(C)Cc1ccccc1 1698231026 RILIQGBRNGDICQ-CUWPLCDZSA-N 440.548 2.257 30 10 IEEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1698302030 BRGSSQRGIJLCNZ-GHTZIAJQSA-N 447.536 2.207 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1705482159 TZIGAEDTKUTANJ-HRAATJIYSA-N 447.630 2.244 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCC[C@H](O)C2)c1 1705505269 KMXUWWIZLRVBMB-QUCCMNQESA-N 445.527 2.342 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CC1 1705585482 FKUQTDDDHHJWNJ-UHFFFAOYSA-N 426.542 2.124 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CCCCC1 1705603838 XTOBEDKRWKSCIZ-UHFFFAOYSA-N 428.581 2.009 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705694588 CWUGAMGCQPZAPN-HBFSDRIKSA-N 429.521 2.169 30 10 IEEE C=C(C)Cn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728183 BDESIQRIBAQRTJ-NZQKXSOJSA-N 433.597 2.443 30 10 IEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705729005 HSKCUZYOEZRIKW-SFHVURJKSA-N 443.552 2.257 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1705747934 YDEFKCAFIOHAEC-NSHDSACASA-N 431.349 2.252 30 10 IEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1)C1CC1 1705849346 KBMYTBGBMNCUAN-CQSZACIVSA-N 448.549 2.270 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1705868789 BIGNYIYUZKMASE-SLFFLAALSA-N 443.596 2.042 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705930923 YZWWVTBXKUAASR-LJQANCHMSA-N 429.546 2.452 30 10 IEEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1706169448 PUKFZXILMFHKIV-IRXDYDNUSA-N 434.541 2.206 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1706751085 FZDHIYSKBZHQHQ-INIZCTEOSA-N 442.545 2.434 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOc1ccc(OC)cc1 1709141691 BGMSTNOZGYQAPT-QGZVFWFLSA-N 448.531 2.305 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CC1 1711072763 JRYSUJKMYTUCJP-SFHVURJKSA-N 429.546 2.257 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1712230851 FZQGUNQOESVXGL-QRWLVFNGSA-N 438.488 2.119 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1712882391 BKRMEIYFHMORIB-PBHICJAKSA-N 435.937 2.152 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCN2CCSCC2)CCO1 1712885982 FCECJJOAKCYOLD-HXUWFJFHSA-N 426.590 2.231 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722695405 BOIQKHHNBXMQJD-IRXDYDNUSA-N 428.924 2.148 30 10 IEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1723628853 BYDQMFKAAUDSCV-INIZCTEOSA-N 436.438 2.499 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1724325255 MGBSPGXZTDBLHS-LDSGZGKSSA-N 440.504 2.234 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(C)(C)CN(C)C)cs1 1725413723 ZLOGQHAOAJCDOA-LJQANCHMSA-N 442.637 2.398 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740620248 CNNPRFRXPQGTJG-XLIONFOSSA-N 445.564 2.051 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740712530 LEUDHPKVJNCOJH-NRFANRHFSA-N 442.545 2.027 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740794358 YOXBCROIFXTQAQ-UHFFFAOYSA-N 439.564 2.194 30 10 IEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740889986 POHXEKGFYPJDKK-KZNAEPCWSA-N 432.569 2.003 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)C1 1740980879 RUQWFSZETWVVCF-LSDHHAIUSA-N 434.447 2.055 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1748747195 DFRVTSFMSPLVEU-DLBZAZTESA-N 430.553 2.478 30 10 IEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCC(OC)CC2)CCCC1 1748802820 KXOYSIUXFITDNF-FPOVZHCZSA-N 445.608 2.495 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748814285 CRFCUGFUYHNUFJ-INIZCTEOSA-N 447.527 2.057 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1748816308 YROPANUGWKAVFJ-LJQANCHMSA-N 443.573 2.404 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCc1nc(C)cs1 1748892699 VHJSLNVPKKWDOZ-GOSISDBHSA-N 445.614 2.431 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCOC[C@@H]1C 1748959164 OKDJYKHIPQWBEA-IBGZPJMESA-N 436.560 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](OCC)C(C)C)CC1 1749014403 IQRINUQXDQEWPO-VQTJNVASSA-N 431.581 2.199 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749043175 FMTBSMAAKAOFGV-LJQANCHMSA-N 432.615 2.443 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C 1749141294 YKHRQSYFXFBGHS-SJLPKXTDSA-N 439.626 2.465 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCNS(C)(=O)=O)CC1 1749294380 YNWXEZDPBWAHDU-UHFFFAOYSA-N 435.550 2.058 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749367411 USCUGBMTRGHGIB-IRXDYDNUSA-N 425.599 2.292 30 10 IEEE Cc1ncsc1CN(C)c1nnc(CC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1751358442 QXRVUIUEJKNGQV-VHEBQXMUSA-N 429.550 2.404 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@]2(CCOC2)O1 1752311390 ABECYQXNDSBNKK-SBUREZEXSA-N 438.532 2.069 30 10 IEEE C#CCN(CC#C)c1nnc(C(C)C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760193758 PNKJAVDHEVWCHF-QYZOEREBSA-N 427.549 2.499 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760327553 IPGNQVSTNUSWJF-TUNNFDKTSA-N 433.597 2.344 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760528957 RSYBHIGGXQSWJS-WOJBJXKFSA-N 430.597 2.380 30 10 IEEE CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1760873930 IATAGLLJYLTWFY-FQEVSTJZSA-N 443.596 2.001 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1764504854 FTQXWMRPSHGASV-HXUWFJFHSA-N 449.559 2.086 30 10 IEEE CCn1cnnc1Cn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1765362116 QYWZJULGDJQFLT-OAGGEKHMSA-N 443.556 2.304 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1767102842 BEBSLIYBNQLEQZ-RDPSFJRHSA-N 436.608 2.420 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCSC)C[C@H]1O 1767919816 GCUDEDNSLHOZFV-QZTJIDSGSA-N 429.546 2.320 30 10 IEEE COC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1767973679 BIXPXCKKYSQCGY-MRXNPFEDSA-N 433.520 2.142 30 10 IEEE CCS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1768300080 GEVUGERCNOKKPW-FQEVSTJZSA-N 434.541 2.077 30 10 IEEE CN(CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1768892122 IEQBKBMNEGIYNO-GOSISDBHSA-N 441.536 2.250 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCc1nnc2n1CCCCC2 1769976570 AXDWPSZDYSDPNV-KRWDZBQOSA-N 442.568 2.303 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccs1)N(C)C 1770216437 BPDZRTIDFFCRHA-BMFAXAFESA-N 446.577 2.095 30 10 IEEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1770396258 AOWBEWQOBUWMHT-HXUWFJFHSA-N 433.509 2.220 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1771347097 AVADEYOMXAZCQS-HKUYNNGSSA-N 443.573 2.381 30 10 IEEE Cc1nc(C(=O)NCc2cccnc2N2CCOCC2)c(C#N)c(C)c1Br 1851615707 WAULSONMXRBLRU-UHFFFAOYSA-N 430.306 2.494 30 10 IEEE N#Cc1ccnc(N2CCN(CC(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)n1 1852021863 VSVLIWSZXPSKNQ-UHFFFAOYSA-N 426.480 2.340 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1852424407 XYVJCKHAOFVRFK-OAHLLOKOSA-N 427.578 2.158 30 10 IEEE CN1C(=O)CSc2ccc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)cc21 1852724044 WBGVYLGAEWBDOY-UHFFFAOYSA-N 426.542 2.369 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)C(=O)C12CCCC2 1854404334 NDYQTFROPNIKNF-UHFFFAOYSA-N 429.420 2.156 30 10 IEEE CN1CCN(C[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccccc2C#N)CC1 1858074281 ZSPATQFLMNPGJV-FQEVSTJZSA-N 437.569 2.177 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(O)CC2)=C(N)Oc2c1c(C)nn2CC 1865225482 WUFUYSJEIGHRIE-FQEVSTJZSA-N 438.528 2.454 30 10 IEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)Cc1ccccc1F 1870109933 QSQGRSXWEDKQCV-UHFFFAOYSA-N 438.375 2.293 30 10 IEEE Cc1ccccc1/C=N/Nc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873526913 BXJBZKUTJVNGQQ-NACCWKTGSA-N 425.308 2.120 30 10 IEEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(N3CCC(CO)CC3)ncnc21 1873560783 MUAKXJGNUWLRTG-UHFFFAOYSA-N 449.555 2.461 30 10 IEEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N(CCO)CCO)ncnc21 1873593856 JDPYTPXJOOZBAO-UHFFFAOYSA-N 437.544 2.161 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1909079217 OYNDVAANCCWGNC-RBSFLKMASA-N 441.525 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N[C@@H](CS)C(=O)O)C1 1984899145 JAEDZXLWLSLNEM-HRAATJIYSA-N 438.546 2.330 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085657436 UJBRTFFSXHRFIS-HNNXBMFYSA-N 435.330 2.249 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247864768 LBCSGGUSVUVCEG-UHFFFAOYSA-N 430.257 2.469 30 10 IEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255536239 GIECCAAAWUIYRU-UHFFFAOYSA-N 435.330 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619909 UDVIYNRPYPTFLS-UKRRQHHQSA-N 434.346 2.132 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)ns2)OC1(C)C 2255637145 AGRBOTPVSURYIV-QGZVFWFLSA-N 438.362 2.292 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C2(CC2)C1 2255708795 NPTJHZPZGLUVTE-MRXNPFEDSA-N 431.342 2.443 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2255955170 JNXYBWBOUGGWHC-UXHICEINSA-N 448.394 2.089 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267590885 UXBDHLONABOBAE-BCDXTJNWSA-N 443.353 2.224 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871744 DPGJNZZNDMTXME-IEBWSBKVSA-N 436.365 2.416 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(F)cc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296147201 KSSLBOCODHHZDI-SFHVURJKSA-N 430.388 2.165 30 10 IEEE CCOc1cc(C=CC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccc1OC 2323217982 GKZYJZKPGWXYFE-UHFFFAOYSA-N 440.456 2.328 30 10 IEEE CC[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1Cc1ccccc1 2337189391 AMAGJKCFBQTCRS-LJQANCHMSA-N 438.381 2.456 30 10 IEEE C[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCCN1C(=O)OC(C)(C)C 2337204369 KKTPJDZDBVHKMX-GJZGRUSLSA-N 448.373 2.237 30 10 IEEE COc1nc(N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2339786097 GXSZJPYSDNDJSC-GXTWGEPZSA-N 443.275 2.425 30 10 IEEE CC(C)(C)OC(=O)N1CC(C(=O)C#Cc2ccccc2Br)(S(C)(=O)=O)C1 2351756565 UFQPUBJCMXLMPI-UHFFFAOYSA-N 442.331 2.404 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)cc2C1=O 25883515 VQDRAYDFHLDUJJ-UHFFFAOYSA-N 425.466 2.162 30 10 IEEE C=CCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 33582686 CHDBXOIMDXJJPS-JQIJEIRASA-N 441.582 2.224 30 10 IEEE CCn1c(=O)n(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c2ccccc21 109887342 UFFQJPUYYJPAJI-LJQANCHMSA-N 435.509 2.235 30 10 IEEE COc1ccc(CN2C(=NC(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254393698 RMAZZUUXNXXLIX-CJNGLKHVSA-N 426.560 2.347 30 10 IEEE Cn1cc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2C[C@H]2CCCO2)cn1 460905477 ZTOGUECRCDADCY-JOCHJYFZSA-N 446.559 2.442 30 10 IEEE N#Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 466102176 KTWDHPUWDJYDLZ-UHFFFAOYSA-N 448.932 2.307 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnn2)cc1 486507507 XFBCCINISOZKQS-HRAATJIYSA-N 429.484 2.300 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cccc(OCc3ccccc3)c2)CC1 499335190 AQFZDIDFJKDMNI-UHFFFAOYSA-N 436.556 2.438 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 499465178 ZAWHHPSXRIJCEI-OAHLLOKOSA-N 427.867 2.447 30 10 IEEE C[C@@H]1C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO 504665037 GGXMRPUKBWXVHE-KDKWDSKYSA-N 444.902 2.410 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508952166 OYRLCUKJEWLLDM-SFHVURJKSA-N 435.532 2.461 30 10 IEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 509001131 VTKPLAPSWTZBNB-WMZHIEFXSA-N 439.564 2.412 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)CC1 553435259 OVHAALULQHPAER-UHFFFAOYSA-N 441.481 2.191 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cc1 608957373 FDACDVQZKJEASJ-SFHVURJKSA-N 444.538 2.032 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 610343397 FOXCSYGVLRWFBD-HUUCEWRRSA-N 430.530 2.495 30 10 IEEE C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669814176 QXFCVFVYZHJXBV-KNQAVFIVSA-N 438.576 2.074 30 10 IEEE N#C[C@@H]1CNC[C@H]1c1cc(I)cc(I)c1O 687744316 GEGYLDMCWYLNLH-HZGVNTEJSA-N 440.022 2.428 30 10 IEEE CCc1nc([C@@H]2CCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 737880770 AEHBPSRTOXNELG-HNNXBMFYSA-N 431.518 2.205 30 10 IEEE CN1C[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCC1=O 738905480 XASATMVLKOSVTI-FVOSJULTSA-N 435.550 2.022 30 10 IEEE COc1ccc(CNC(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1C#N 746785558 QNDCMUXZNGGPEV-UHFFFAOYSA-N 427.549 2.185 30 10 IEEE Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 751309529 REEOBULVWRZJQU-UHFFFAOYSA-N 449.536 2.361 30 10 IEEE CCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 761684144 VHWBLNKURUZDKN-WLSHBCHJSA-N 425.533 2.380 30 10 IEEE CN(C)C(=O)N1CCC(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)CC1 770734403 LYTWUZOCXHBTBO-UHFFFAOYSA-N 427.545 2.197 30 10 IEEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774283343 ZSUCPFUSNMLCKJ-SFHVURJKSA-N 434.606 2.409 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)OCc3ccc(C4(C#N)CC4)cc3)cnc21 777148107 CRNJOHVYPAYKFR-UHFFFAOYSA-N 442.273 2.191 30 10 IEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 780198060 HIEXODGRGUQYJX-SJLPKXTDSA-N 438.484 2.399 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)cc1 784126800 FTFWEQRPNZRWAU-IEBWSBKVSA-N 432.590 2.421 30 10 IEEE N#Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)ccc1N1CCC(O)CC1 785007148 PYDXPBPQAKGZMR-UHFFFAOYSA-N 434.500 2.092 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 797812598 MMKYPOMDKAOARB-KMFMINBZSA-N 428.514 2.358 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 803465556 DWAFRUIAHZCOMY-MXMYFQACSA-N 441.528 2.256 30 10 IEEE COc1ccc(CNC(=O)C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cc1C#N 805303973 VAXKIMHYTYCJGB-UHFFFAOYSA-N 442.560 2.113 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 856677412 QNJNIPVLLULYQY-ASSNKEHSSA-N 429.546 2.450 30 10 IEEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1ccnn1C 1125140484 WBFQARGXVHGUHI-YADHBBJMSA-N 446.467 2.406 30 10 IEEE COC(=O)[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H]1CCC[C@@H](OC)C1 1130630685 CNLDAPGHVOTEKB-XAUMDUMWSA-N 427.505 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)C#Cc3cccs3)C2)CC1 1136343948 OILNEIQHDZUTIY-QGZVFWFLSA-N 431.558 2.418 30 10 IEEE C#CCC[C@@H](O)CNC(=O)Cc1ccc(I)c(Br)c1 1138992262 ZVXRNZLZKJQLRU-LLVKDONJSA-N 436.087 2.487 30 10 IEEE CC[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H](C)S1(=O)=O 1140279197 MVJGESLVQVLWOB-BLLLJJGKSA-N 440.363 2.181 30 10 IEEE Cc1nc([C@@H](NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c2cnn(C)c2)no1 1141503389 RBBJNMODBIYTQV-SFHVURJKSA-N 437.309 2.239 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 1148050748 VEWUYIVEDCJVCE-KPHUOKFYSA-N 443.516 2.411 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)N[C@@H]2CCCN(O)C2=O)CC1 1159641546 OCUJWFSCMGPHCK-QGZVFWFLSA-N 432.521 2.365 30 10 IEEE CC1(C)OB(C2CCN(C(=O)c3ccc(CCNS(C)(=O)=O)cc3)CC2)OC1(C)C 1176612018 PWSMWZQPHSQWDU-UHFFFAOYSA-N 436.383 2.477 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(Cc3ccccc3)[C@H](CO)C3CCC3)CC2)o1 1195498872 RJDLIYWIFUMGHA-JOCHJYFZSA-N 437.544 2.167 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)cc1 1214686586 BDWSDSXTWYIUGJ-OAHLLOKOSA-N 440.522 2.166 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1286517737 UVMVTXCMPVVNMO-IIBYNOLFSA-N 431.562 2.327 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1286521590 ARBZCNYPYBTETD-XQBPLPMBSA-N 433.622 2.293 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1287053863 CBXGMLAKPXWCAD-HNNXBMFYSA-N 428.493 2.352 30 10 IEEE CC(C)N(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1287901580 DXICAODIIIYFQE-UHFFFAOYSA-N 448.579 2.002 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC(C)(C)O1 1291278887 DPNVRFNAMLJBIJ-QGZVFWFLSA-N 441.532 2.274 30 10 IEEE CCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1294420356 IXTUMVJDZNBONG-BMRADRMJSA-N 448.325 2.408 30 10 IEEE CCCN1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1294670897 UHAZNIOKOILNAJ-NZQKXSOJSA-N 446.596 2.169 30 10 IEEE COC(=O)c1ncoc1COCC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1297320811 ARJGKMCSNWZJPU-INIZCTEOSA-N 432.864 2.040 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1297759150 BGEZORPZPJKASN-HOTGVXAUSA-N 448.618 2.476 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300503391 CIWABLBUQNSHSZ-ROUUACIJSA-N 444.557 2.008 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1300612317 YOTDCHARMFFABP-HSZRJFAPSA-N 436.585 2.484 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300761378 CAQLTLXRSRMHFA-OTWHNJEPSA-N 430.530 2.007 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)CC1CC1 1300778666 CVRKHMSIZPSROA-OAQYLSRUSA-N 435.594 2.013 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)NC(C)C)C1 1301546667 UPCMAODJQNLLDO-SFHVURJKSA-N 433.578 2.363 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCc1ccco1 1302277001 FOJRNUXBSRNHOF-LPHOPBHVSA-N 442.520 2.042 30 10 IEEE COCCC1(NC(=O)CNC(=O)c2ccc(C#N)cc2)CCN(C(=O)OC(C)(C)C)CC1 1302869192 VFZSIFIVWHYMBZ-UHFFFAOYSA-N 444.532 2.210 30 10 IEEE Cc1ccc(-n2ncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2C(F)(F)F)cc1 1305591250 WFPXTQLLMUUPKT-UHFFFAOYSA-N 444.373 2.031 30 10 IEEE CCOc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)c1 1314207562 ACLCWONZKNUPDE-DENIHFKCSA-N 427.505 2.106 30 10 IEEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1Cc2ccccc2C1=O 1357542504 AQMWLVWRMSVPAV-YWNOGDAOSA-N 440.525 2.482 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358869412 KBVHGXVTLDINSQ-IAGOWNOFSA-N 432.569 2.475 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@@](C)=O)cc1 1358952368 INTGOWXJRTYZNS-SSEXGKCCSA-N 441.582 2.266 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358954358 FUBJTMDVHKEPAF-VSZNYVQBSA-N 431.537 2.223 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(C)c1 1358978037 BUQDJJDJXIYYQK-RTBURBONSA-N 426.542 2.029 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCCO 1358980162 LYIZYBBJBXZQMG-NRFANRHFSA-N 425.964 2.442 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1csc(COC)n1 1358985658 DJCKTSJADJQENH-QFIPXVFZSA-N 443.573 2.433 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC)C(=O)C1 1359052956 WHLVTSWGSXXUBO-UHFFFAOYSA-N 441.557 2.141 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1359292778 XJRLPRSMLIPFSL-UHFFFAOYSA-N 442.564 2.043 30 10 IEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCc1cnccn1 1359297734 AITGYJWPCDMFEH-UHFFFAOYSA-N 430.516 2.208 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359516478 AVBJQAFENRROKR-JHHGQVAESA-N 430.553 2.353 30 10 IEEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359519360 GJALBZRUQDYHNN-PGRDOPGGSA-N 443.573 2.239 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)C1 1360787830 DQKBBRJFUGBMCO-QFIPXVFZSA-N 439.495 2.308 30 10 IEEE CCNC(=O)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1440703574 BJSMOABDCTXPFY-IBGZPJMESA-N 441.532 2.266 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)c1 1464413027 XSYMNINVTROSSR-UHFFFAOYSA-N 430.551 2.452 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC1 1465335445 SKYONUPESNYMNJ-DAFNUICNSA-N 445.589 2.499 30 10 IEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1470955794 FYXJOXYFMCKWCK-AWEZNQCLSA-N 448.372 2.438 30 10 IEEE C[C@]1(c2cccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2)COC(=O)N1 1471595111 PZZLHQQEHOSZHF-OAQYLSRUSA-N 442.497 2.099 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1Cc2cnccc2NC1=O 1471654902 NXLNCWVNOJQMNC-UXHICEINSA-N 447.495 2.467 30 10 IEEE CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1nc(C#N)cs1 1472147271 YXEHPFJZPXNWNT-XAVKZTDYSA-N 436.584 2.343 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)C1 1473794408 MLXCFAKJSCPTII-IIBYNOLFSA-N 432.546 2.437 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)C1 1475179053 BHSLFBQMVOSYAT-SWLSCSKDSA-N 433.490 2.138 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(Cl)cc1 1478896713 PGQLBOPVHTZSRB-HXUWFJFHSA-N 446.960 2.376 30 10 IEEE CCNC(=O)C1(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CCC1 1502410195 AKWWUTVTQONQKP-UHFFFAOYSA-N 437.548 2.417 30 10 IEEE COCC[C@@](C)(O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1504756721 BRWQYOLHUBEJPD-HSZRJFAPSA-N 442.539 2.355 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)C(C)(C)C 1507615923 CVLYPDJUKCNEOZ-SSEXGKCCSA-N 429.594 2.069 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCC(OC)CC1 1507669232 JYSPFNSJRDBDJU-GPJFCIFZSA-N 432.590 2.238 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)c(OC)c1 1507669968 WIFOOPDJWFYEIC-KRWDZBQOSA-N 446.960 2.353 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C)N(C)C)CC1 1507722973 PZLSSEQSXKXVBE-SFHVURJKSA-N 426.565 2.058 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507744628 UEBLHOTWVTWLGC-UHFFFAOYSA-N 447.634 2.183 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1CCS(=O)(=O)CC1 1507805863 DOWRGYTZAVNTSB-UHFFFAOYSA-N 425.599 2.424 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1507873658 DHCXJBDPWAEUDA-LAUBAEHRSA-N 437.972 2.425 30 10 IEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)CC1 1507886250 ZCIFJLFSDQCNHZ-UHFFFAOYSA-N 427.459 2.457 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507960542 ZJSSZTPFIDONDB-FUHWJXTLSA-N 426.477 2.161 30 10 IEEE CC(C)(C)Cc1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508580079 DXGFQMPQTSIGGU-OEAGWNGGSA-N 428.537 2.010 30 10 IEEE Cc1nnc(N2CCC[C@@H](CN3CCCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511860180 BJEWFKNSKYBWFN-XQDODVJUSA-N 441.580 2.205 30 10 IEEE CCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1515165062 FXKUJLGKVAMTLZ-SFHVURJKSA-N 437.504 2.253 30 10 IEEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2=O 1515246825 JGPGTUQRLRCINX-IQMFZBJNSA-N 434.500 2.076 30 10 IEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1516952247 DDJYFUDGBWZOFV-UHFFFAOYSA-N 447.547 2.193 30 10 IEEE COc1cc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)ccc1C 1517979632 ATEBHHUMEALLJJ-FUHWJXTLSA-N 431.562 2.478 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1518759053 WZQCEUIWOKKDFS-ZWKOTPCHSA-N 435.525 2.205 30 10 IEEE N#CCc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1526664953 SSMWKMOTNJCRMF-UHFFFAOYSA-N 433.917 2.357 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc(OC)c3)CC2)s1 1538448594 CYNPIZFUQRGSQW-UHFFFAOYSA-N 435.571 2.112 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C2CC2)N(C)C)c1 1539043389 PVYMPYVXNAIFHT-CTNGQTDRSA-N 436.560 2.178 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1539268389 OPPFBYYSBWSYMM-UHFFFAOYSA-N 430.961 2.420 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(C)c2)CC1 1539470016 IDFGFCKZNHVKSS-UHFFFAOYSA-N 437.935 2.346 30 10 IEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 1539499881 QBUWGSGVIFPIHI-UHFFFAOYSA-N 426.365 2.072 30 10 IEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539729887 MFNZZDXILFUHFM-IAGOWNOFSA-N 425.599 2.498 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539749842 DHPPWEKGVMUQDP-KXBFYZLASA-N 431.487 2.455 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539752170 FACNJHZMQDRZFZ-LJQANCHMSA-N 448.589 2.484 30 10 IEEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)CC1 1539896294 LFKJJXNLSZTKAF-UHFFFAOYSA-N 429.496 2.257 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540012080 AMQKGLQWNBQZQK-LJQANCHMSA-N 443.621 2.343 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1CC 1540120719 VHVHWLMGYZCFDF-SFHVURJKSA-N 436.520 2.090 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1540164413 NZOZASWDJQYQNP-HNNXBMFYSA-N 440.529 2.207 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 1540585833 YQNDDYPXVLSWPY-JOCHJYFZSA-N 444.528 2.426 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1541664640 KIVAZRJBYCEVEU-QVKFZJNVSA-N 433.557 2.460 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 1545718789 RRFZJAVDXGGUOQ-UHFFFAOYSA-N 443.548 2.011 30 10 IEEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)CC1 1555817069 YDEGRZKCDPKCRF-UHFFFAOYSA-N 440.932 2.417 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(N3CCSCC3)c2)cc1 1557765324 NSZROTCDWNZWNZ-UHFFFAOYSA-N 432.571 2.029 30 10 IEEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)C1 1568062605 MOJXSDPLMRHLGR-QFIPXVFZSA-N 444.536 2.055 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1587683272 GBBPZGMJMHNOLY-FSTVOOFJSA-N 433.553 2.312 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1588054244 MKLVAZGATJOZOE-ZWKOTPCHSA-N 436.578 2.106 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCc2ccccc2C1 1588088946 CTJSVRDXOOQHHR-RLWLMLJZSA-N 447.583 2.450 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1cc(C)oc1C 1588090410 WMSWNSFUNRZPAH-XZOQPEGZSA-N 426.517 2.121 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)Oc2cccc(C(=O)N3CCOCC3)c2)cc1 1588118618 BGTKPOVYMIOJQA-UHFFFAOYSA-N 442.493 2.456 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)nc1OC 1588154179 AGWGALCXLJODJK-UHFFFAOYSA-N 441.495 2.050 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1588387024 RDOBLFZNHWYZPS-CYBMUJFWSA-N 442.463 2.429 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588574500 KCQBHZBSHLDIQT-UHFFFAOYSA-N 425.581 2.073 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCC1 1588646766 MXBRIHVIHBINGS-UHFFFAOYSA-N 447.580 2.394 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1588733415 RTSBCZMLPJGRQK-HXUWFJFHSA-N 443.640 2.072 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1595497373 ZKMDQCXOFQIGTB-QRWLVFNGSA-N 441.532 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595506632 HQZDFFSKRPEBLI-IAGOWNOFSA-N 446.914 2.287 30 10 IEEE C=CCNC(=O)Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1595603230 ZXCCRFMQCKBWPO-QHCPKHFHSA-N 436.560 2.013 30 10 IEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1595614133 NYSDUIQQCWQFLU-UHFFFAOYSA-N 449.559 2.144 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@H]1C 1595789113 NDBSBZHBHZQPKD-PBHICJAKSA-N 447.536 2.093 30 10 IEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1598244234 ZFGVCNNEULSGKF-GCJKJVERSA-N 425.537 2.130 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1611059989 OVBXUADLPUPISH-QGZVFWFLSA-N 426.521 2.211 30 10 IEEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1611780023 FJCMWWFVFZEWLC-HRAATJIYSA-N 430.459 2.353 30 10 IEEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1615893200 RTJZUOUSXMMRBF-FQEVSTJZSA-N 429.613 2.330 30 10 IEEE CN(CCCc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1618212827 HYXJIPOGBXWZBF-UHFFFAOYSA-N 445.527 2.140 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C(C)(C)C)no2)CCO1 1618693609 LGOFQIBQUIVKSG-GOSISDBHSA-N 449.515 2.102 30 10 IEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1620309784 CMCYHMCGGONAQU-RHSMWYFYSA-N 439.520 2.042 30 10 IEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1624129212 DIFKFGHXQCYCBA-QGZVFWFLSA-N 427.526 2.325 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2c(Br)cc(C)cc2C1)c1cc[nH]n1 1625650832 FJPGBWHLBZSDNJ-UHFFFAOYSA-N 449.305 2.349 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)NOC)c1 1627124926 XODPAMYWJBFEBR-UHFFFAOYSA-N 437.905 2.129 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@H](C(N)=O)Cc4ccccc43)C2)C1 1632452706 BBCMWWSCBPEYPQ-KSXJCDJKSA-N 438.528 2.464 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 1633312901 WIQSOJISSYTKDE-NHCUHLMSSA-N 439.537 2.069 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N[C@H]1Cc3cc(Br)cnc3NC1=O)C2 1637886283 QPTUPDOLAVBBDA-HOTGVXAUSA-N 426.274 2.046 30 10 IEEE COC(=O)NC1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1647865889 DEJQJVSQLBPFKQ-KRWDZBQOSA-N 443.548 2.176 30 10 IEEE C=CC[C@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1650698662 PRHVEDGBOATXNO-QVKFZJNVSA-N 426.510 2.143 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)n(C2CCCCC2)c1C 1655409736 MYXFMFWNSONWEM-PZJWPPBQSA-N 427.549 2.400 30 10 IEEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)c1 1661305499 UMUHUVOGDZKDOJ-KRWDZBQOSA-N 438.596 2.347 30 10 IEEE CCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 1662421003 GRAHGABBXWIXNE-UHFFFAOYSA-N 447.460 2.354 30 10 IEEE C#CC[C@H](NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C(=O)OC 1664365901 GRMHSYMHEPMRDP-LBPRGKRZSA-N 429.317 2.416 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)OCC 1665221364 CWPLDIPQMDHYPF-LBPRGKRZSA-N 434.308 2.397 30 10 IEEE COCCC[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1 1672585925 UQDPTRFXZBINIH-HNNXBMFYSA-N 445.907 2.251 30 10 IEEE COc1ncc(NC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1C#N 1672970702 BJRZWRSYFBNYIT-UHFFFAOYSA-N 428.880 2.403 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)C1 1681228383 YBWGMFHIPULPBW-GBESFXJTSA-N 441.532 2.349 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 1681986658 JSRBERWBRWCJDQ-UHFFFAOYSA-N 443.591 2.265 30 10 IEEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1683289469 WOACQWSVTVMUNL-IDPGXWOASA-N 434.558 2.372 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1689827510 GIPXKNUXCGIOIB-RLFYNMQTSA-N 433.603 2.377 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689998629 RQQFISIMUDUCPX-VAMGGRTRSA-N 444.557 2.144 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1690107987 KOGLDVGHBBSTHG-HXUWFJFHSA-N 436.965 2.461 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCO[C@H]2CCOC2)CC1 1690139299 GWJKKJSORAVODN-IBGZPJMESA-N 441.532 2.008 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)CC1 1690367385 MKTRBVXVOFQYGF-UHFFFAOYSA-N 439.520 2.174 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690667108 QIQXSVCSOUCKCW-SBUREZEXSA-N 441.532 2.030 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC[C@@H]2C)C1 1690688041 NARGJLFBABBFLP-RXVVDRJESA-N 427.549 2.456 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690722343 GKIUJWBMWDXUTO-QGZVFWFLSA-N 429.550 2.220 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)C1 1690809253 FSNKTOPMTAIBQV-DOTOQJQBSA-N 448.531 2.448 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1692658887 OMCYJFXOWRRYMQ-HOTGVXAUSA-N 429.550 2.322 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1694333927 HCBDBVQMUIWICO-QHCPKHFHSA-N 445.612 2.173 30 10 IEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)CCOC 1694724592 FXJQDJFKUPHFHU-QHCPKHFHSA-N 426.565 2.212 30 10 IEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2ccco2)C1 1696501205 ASUKJSCMOUOUPJ-SFHVURJKSA-N 440.529 2.343 30 10 IEEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCCC1 1696605211 HYNUSXAWHOMGEL-GOSISDBHSA-N 434.610 2.185 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1cccc(Br)n1 1698061723 SLMXWYDKEUGLTL-AWEZNQCLSA-N 435.326 2.354 30 10 IEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705512389 AUNWDAKCEMKHMU-QGZVFWFLSA-N 430.530 2.491 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2ccnc2)CC1 1705762532 BNIFSZCWZJJIKN-KRWDZBQOSA-N 441.561 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](COC)C1 1705937145 KDUGFNCZKVLCKH-INIZCTEOSA-N 439.607 2.097 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC(O)CC1 1706068200 GGNUPVLFDSRURU-MRXNPFEDSA-N 427.509 2.296 30 10 IEEE CC(C)OCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706708035 HNCKKZAKLZDFCU-GOSISDBHSA-N 447.547 2.066 30 10 IEEE CCCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1709879565 QLSNVYPKMGWALH-IRXDYDNUSA-N 447.561 2.479 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)CC 1710564797 FSBBKAAZWFVGGO-NRFANRHFSA-N 430.484 2.176 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CC(OCC)C1 1710756311 DQSAPUNAZGTYKE-LHKABPNQSA-N 425.533 2.488 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1711237230 QILRGWTVEAPXAT-IAGOWNOFSA-N 435.550 2.190 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722322883 WYJFPJLQACTJEZ-UHFFFAOYSA-N 443.596 2.336 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1Cl)N(C)C 1722386028 SYDXAAXYXBDEBP-HXUWFJFHSA-N 438.963 2.430 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722545229 YMXODAZXVAWAGR-NRFANRHFSA-N 439.907 2.384 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722699691 MNBBMKOWTSBVCP-UHFFFAOYSA-N 429.569 2.096 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1722714676 JRTZLFWUNDQANJ-IAGOWNOFSA-N 449.552 2.290 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722724934 JIDCNGODRMHYCW-KRWDZBQOSA-N 439.626 2.381 30 10 IEEE CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1723116740 CRYIKSGTIXSXOW-SIKLNZKXSA-N 427.528 2.063 30 10 IEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1728172397 PNZVLHLKIYBVRO-YADARESESA-N 449.559 2.038 30 10 IEEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@]1(O)CCN(C)C1 1729043856 SOJRTXUCKDGJEP-QPPBQGQZSA-N 438.576 2.212 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1ccco1 1740647133 JIFGMLFICAEIMA-UHFFFAOYSA-N 447.495 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCCC)c1 1740657932 CQCUDEOOPNAMBG-UHFFFAOYSA-N 446.555 2.052 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCNC(=O)C(C)(C)C 1740659246 LQRICQHCTGWHRE-UHFFFAOYSA-N 437.544 2.491 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)on1 1740677741 ZXTMDTIBRXKZCG-QGZVFWFLSA-N 443.504 2.304 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOC(C)(C)C1 1740681818 WDWJSAKKVWXOLV-UHFFFAOYSA-N 432.956 2.190 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)C1 1740751722 OFAADLFARYXQHN-OQBQERNKSA-N 429.562 2.054 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740754482 FVPQHRAWJXJUEM-ICSRJNTNSA-N 445.589 2.316 30 10 IEEE C=C(C)Cn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1740785880 HPLLBRGDWFOSMF-HXUWFJFHSA-N 433.582 2.247 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740833524 RWJXZAOOPMWXCP-AEFFLSMTSA-N 426.583 2.372 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1740976587 LELSODLXNAWXGA-ZWKOTPCHSA-N 431.562 2.255 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1743406138 JCGNDTDUCOJCFU-WOJBJXKFSA-N 438.532 2.117 30 10 IEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1743882958 OZIDCVYTQMMLHR-FFZOFVMBSA-N 438.532 2.435 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1746685492 UAJVXZPBZJUGMF-BEFAXECRSA-N 425.480 2.484 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1748798549 JGSKYZDGOSCJDI-UHFFFAOYSA-N 447.587 2.214 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748821208 NGCDWJCXYASNSG-MSOLQXFVSA-N 447.630 2.222 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1748883177 VNEKIVLJWHTRHP-LJQANCHMSA-N 428.487 2.159 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)C(C)(C)C 1748964045 FIORCBATSAVXIG-UHFFFAOYSA-N 433.503 2.395 30 10 IEEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749022984 OQXAUGIAJMVUTM-LJQANCHMSA-N 426.590 2.117 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1749159448 VCUPJIQTAVJYCG-INDMIFKZSA-N 437.610 2.450 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC[C@@H]1C 1749221680 OQQMCCOEIYHGHL-PXNSSMCTSA-N 440.548 2.362 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1749951202 UPMRMEWNEKNAQF-IPAQQNCUSA-N 446.552 2.011 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCOC2CCOCC2)CCO1 1750388861 UBXLXSZBADZBBE-IBGZPJMESA-N 429.496 2.322 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1760182373 JERUALLYHMUMHR-LJQANCHMSA-N 428.558 2.402 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C)COC1 1760200513 LNFOMZSGEHCUEF-UHFFFAOYSA-N 430.512 2.345 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1C 1760210191 NYFYGJSGRGUXLH-MRXNPFEDSA-N 433.965 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOCC 1760216271 HHIZTERBHIMMQZ-UHFFFAOYSA-N 428.562 2.128 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1760224898 CLXYDUWRKYIGOZ-NSHDSACASA-N 446.396 2.220 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCC(C)CC3)nc2)CC1 1760263629 JIBQTCVBESTPNK-UHFFFAOYSA-N 437.592 2.249 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760421001 AWNFEKZTTOUZAX-QFIPXVFZSA-N 427.553 2.356 30 10 IEEE C=CCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1760513802 DMJHJJLODHVPTH-QHCPKHFHSA-N 432.613 2.111 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCSC1 1760514861 NEMATDNNJBYDDQ-KRWDZBQOSA-N 428.562 2.391 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1760695752 MZPXICBOEYADPE-KGLIPLIRSA-N 440.620 2.415 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@@H]1C 1760696623 RXRANFJQBFRDFA-CEXWTWQISA-N 436.626 2.431 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1761545085 PWEFSGDIQUVNSI-IEGUWTFLSA-N 440.523 2.395 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc(OC(C)C)nc3)CC2)c1C#N 1762399810 DFHIWPWFGRUGIV-UHFFFAOYSA-N 435.536 2.057 30 10 IEEE CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1766192902 SRCJAUZOEGCUIH-SJORKVTESA-N 426.521 2.428 30 10 IEEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 1767153769 YNZKMUXRQDXNAW-UHFFFAOYSA-N 439.612 2.226 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2c(F)cccc2F)CCOC1 1767481737 DLGDOBLJNLGRFU-QVKFZJNVSA-N 433.459 2.180 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CCCO1 1768997472 JSUOWXQPHDNLEU-KDOFPFPSSA-N 435.326 2.344 30 10 IEEE Cc1nccn1C1CN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)C1 1851197836 RDKDIUIZZSSAJM-JOCHJYFZSA-N 449.536 2.036 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1852424406 XYVJCKHAOFVRFK-HNNXBMFYSA-N 427.578 2.158 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@]12CCCC[C@@H]1CN(Cc1ccccc1)C2 1853193318 VTHYJCPTPQBKBZ-NTKDMRAZSA-N 436.512 2.365 30 10 IEEE COc1cccc2c1CCN2S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1855531984 KDNGSVNJZITIAH-UHFFFAOYSA-N 425.466 2.166 30 10 IEEE COc1ccc(CC(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)CC#N)c3ccccc32)cc1 1857463960 PWBIHJBDZWPHFX-OAHLLOKOSA-N 427.482 2.249 30 10 IEEE Cc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1Cl 1858320741 BFVNNFGPZMOMRG-HNNXBMFYSA-N 439.946 2.262 30 10 IEEE CCOc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1870098387 BJCPADBOSFJKGB-UHFFFAOYSA-N 429.458 2.356 30 10 IEEE C=CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(N3CCN(C)CC3)ncnc21 1873594281 QOXFWOMBTAAFJP-UHFFFAOYSA-N 434.544 2.350 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(NCCN3CCOCC3)ncnc21 1873616104 CZVQGKOGXCNJHF-UHFFFAOYSA-N 446.515 2.490 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(-c4cccnc4)c3)CC2)CC1 1889538624 BZOAXQGOHVBCHQ-UHFFFAOYSA-N 433.556 2.016 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)CC2=O)cc1OC 1889648545 HTLXUWAXYQRZPX-WMZOPIPTSA-N 436.468 2.003 30 10 IEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)C2)c1 1891355655 QRSUSOOZCHEUJZ-LJQANCHMSA-N 429.480 2.495 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 2010228487 ZVMREWYZVGFVEL-VVLHAWIVSA-N 439.553 2.074 30 10 IEEE C=CCC1(NC(=O)[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022847466 ZUZRMCCMJVAECB-NRFANRHFSA-N 439.553 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)[C@H]21 2060635893 QJJZXPGUFMPPAT-PHPOFCCKSA-N 434.342 2.171 30 10 IEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2068910760 FPAWXXZJGHICGS-OAHLLOKOSA-N 438.330 2.233 30 10 IEEE C=CCn1ncc(NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(Br)c1=O 2162385900 VDRCMFVMEDAQHF-ZDUSSCGKSA-N 442.358 2.155 30 10 IEEE Cc1cnc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232268097 JIEJZKMRJHLFTI-SJLPKXTDSA-N 447.385 2.401 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254803997 FHYZSRCXFDGEEB-GJZGRUSLSA-N 437.321 2.302 30 10 IEEE COCCN(CCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255544406 ZBTMDNMQCCYCNA-UHFFFAOYSA-N 438.330 2.192 30 10 IEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(C)(C)CNC(=O)OC(C)(C)C 2255622843 GFHNWHHKSBYNFN-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255696692 XTRKIGYBIBOOKT-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE C[C@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2255699827 SWIZVLVFTLIWQX-AWEZNQCLSA-N 431.342 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255812664 OGTRRTOQSDBGHB-MJBXVCDLSA-N 449.382 2.428 30 10 IEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255815753 SKBQYCPUVROTHM-UHFFFAOYSA-N 436.362 2.096 30 10 IEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2255832974 VGOHEVIDWOSNSP-AWEZNQCLSA-N 436.362 2.061 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2255874958 PAHQUKORBASBAM-RCDICMHDSA-N 429.326 2.120 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256623346 CSMGVRRIYBKJBO-KRWDZBQOSA-N 435.374 2.376 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)C1 2265990585 NICHDNIMFAUOLN-QFIPXVFZSA-N 447.341 2.015 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4[C@H](CCN4Cc4ccccc4)C3)nc2)OC1(C)C 2267173148 HOEJTHYUECUTQZ-UYAOXDASSA-N 434.349 2.122 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267282023 ZGPFHHAGTPGROE-PXNSSMCTSA-N 436.365 2.416 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271389931 VEOOZPKITPGUAQ-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(C(=O)OC)cc1 2330938671 JAVUCJXCEYRWLN-INIZCTEOSA-N 431.518 2.417 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 2337207650 DIDOJEUVPDTUFE-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE COc1cccc(CNC(=O)c2cccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)c1 9860343 XJWSNGCOSLLNPD-MSOLQXFVSA-N 431.539 2.115 30 10 IEEE C[C@@H](NC(=O)CSc1nnc(N/N=C/c2ccc(N(C)C)cc2)n1N)c1ccccc1 20527642 MJJBOPSJWLMEGC-LJGKHRNASA-N 438.561 2.473 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 31047344 BDOZUTWOBXEUTK-OAHLLOKOSA-N 435.440 2.478 30 10 IEEE COc1ccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)c(OC)c1 170178876 CAEQZZSBCHCHEN-UHFFFAOYSA-N 448.527 2.049 30 10 IEEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cnn(CCC#N)c1-c1ccccc1 428525081 YDWKVBVCIBKCLC-MKXGPGLRSA-N 436.468 2.029 30 10 IEEE CS(=O)(=O)CC[C@H]1CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 428841677 PLSXNFFEBJAZEK-GOSISDBHSA-N 430.492 2.462 30 10 IEEE CC1(C)CCC[C@](O)(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 438490051 HVMFAVFLGJXYEF-JOCHJYFZSA-N 433.574 2.406 30 10 IEEE C=CCNC(=O)Cc1noc(-c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)n1 445337099 NCXHYHGVTMJVEV-UHFFFAOYSA-N 438.509 2.328 30 10 IEEE CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 446191085 GPCBVLBMNQRILD-UHFFFAOYSA-N 449.511 2.029 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 461894931 QWNDXYAPZODNTR-UZLBHIALSA-N 427.526 2.070 30 10 IEEE CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 505825109 IIFBNEMHKHHUEH-MRXNPFEDSA-N 436.497 2.390 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 508916946 AOCPDAKTKCWMDQ-APWZRJJASA-N 444.967 2.204 30 10 IEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 509010870 IJZUIKCUPSIPDX-UHFFFAOYSA-N 428.968 2.453 30 10 IEEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 509744202 DKQPWJJHYPNHKM-UHFFFAOYSA-N 432.933 2.359 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)CC2)nc1 510926807 YTFVHUHMEHFGSD-UHFFFAOYSA-N 441.923 2.071 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H](N2CCN(C(C)C)CC2)C1 525266807 IACPUZRIAQYFTG-RTWAWAEBSA-N 427.593 2.431 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 539502964 CQWCIPPVSLIKIQ-HNNXBMFYSA-N 447.565 2.226 30 10 IEEE N#CC1(c2ccccn2)CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 548799131 DTXNDUKDCXOGLF-UHFFFAOYSA-N 431.540 2.360 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)CC1 549061552 MDSBTBBGDBIMPF-UHFFFAOYSA-N 426.521 2.236 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 554926199 JCAHSNOFQFMLBF-IBGZPJMESA-N 431.562 2.032 30 10 IEEE CCCC[C@@]1(c2ccccc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 577415091 QNJMTZDOUUBVKI-NRFANRHFSA-N 426.498 2.364 30 10 IEEE COc1ccc(Nc2cc(C)nc(NCCNS(=O)(=O)c3ccc(C#N)cc3)n2)cc1 585427632 LSVDZXZXCLUAFI-UHFFFAOYSA-N 438.513 2.799 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 609229157 WKMSZSKUXVIXJD-UHFFFAOYSA-N 426.473 2.286 30 10 IEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 614904176 CESUGXNYMDOOGY-INIZCTEOSA-N 448.491 2.418 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 728557475 BXUNTCQBJGXGNB-UHFFFAOYSA-N 434.496 2.293 30 10 IEEE COc1ccc([C@@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 732441085 FDTAVJCSHPQFTN-QZAQEVDKSA-N 437.294 2.344 30 10 IEEE O=C(NCCCc1ccc(Br)cc1F)NCCN/C(O)=C1\N=CC=CC1=O 734944425 CMMRAHQULVCDLR-WUKNDPDISA-N 439.285 2.346 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755576736 QJPCDSSOMLWTBD-UHFFFAOYSA-N 430.408 2.294 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cc2C1=O 761378995 UUWHMTIRCBPDAU-RDTXWAMCSA-N 443.500 2.223 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN2C(=O)OCC[C@@H]2C1 764481542 DDXUMVBLQVZDEY-CYBMUJFWSA-N 438.278 2.151 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 780204854 KEMFELKYRGBSML-OAQYLSRUSA-N 427.888 2.133 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 783308021 FEIJXGRDZUCTIQ-SJORKVTESA-N 429.583 2.408 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H](O)c1ccc2c(c1)OCO2 788678219 PHNSGEGEZUNIIY-BTDLBPIBSA-N 439.287 2.450 30 10 IEEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(OCC)c1 792746874 NYDDFOMMFAXIPO-IEBWSBKVSA-N 430.574 2.497 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@@H]2CCSC2)C1=O 794440488 DZBMXZXVDFMYPX-CJNGLKHVSA-N 442.557 2.470 30 10 IEEE CN(C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C1(C#N)CCCCC1 796416718 MEKQFZDHAIWTNB-YLJYHZDGSA-N 443.548 2.336 30 10 IEEE C[C@H](C(=O)OCC(=O)N=c1sccn1Cc1cccc2ccccc12)n1cnc(C#N)n1 798743768 KZBYGKYBHRXWRM-OAHLLOKOSA-N 446.492 2.446 30 10 IEEE Cc1cccc(COc2ccc(S(=O)(=O)NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)c1 798827066 QMMWHECNJRUFOQ-OAHLLOKOSA-N 425.470 2.103 30 10 IEEE COC(=O)c1ccc(Br)cc1COC(=O)CCN/C(O)=C1/N=CC=CC1=O 801270806 JIGGAKIUVIWMTG-MSUUIHNZSA-N 437.246 2.195 30 10 IEEE COCCOc1ccc(F)cc1S(=O)(=O)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 802798589 MNKCTQVVTDJPGA-UHFFFAOYSA-N 436.436 2.398 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 807743572 ONJVFHKTUSBJIA-IEBWSBKVSA-N 428.533 2.479 30 10 IEEE Cc1nccnc1CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 814703400 CVWOYGTTYGJNEM-LJQANCHMSA-N 440.573 2.027 30 10 IEEE C#CCN(C(=O)CN1CCCCS1(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1126152096 XJUQXYCWFNUINY-MRXNPFEDSA-N 441.347 2.160 30 10 IEEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)nn1 1129930956 WMYGFZOQPBTMAC-CRAIPNDOSA-N 447.561 2.260 30 10 IEEE Cc1c(NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)ccc(Br)c1C#N 1129954990 MCADYTAWYXALNC-UHFFFAOYSA-N 442.273 2.136 30 10 IEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1138470742 DLCFWIFQNNUHAZ-UHFFFAOYSA-N 435.424 2.013 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)CC3(C#N)CCOCC3)C2)CC1 1142009209 CSHVJGUCMWUELQ-SFHVURJKSA-N 448.564 2.015 30 10 IEEE CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1155487255 RMEZCIXFECOOTL-RKVPGOIHSA-N 448.545 2.209 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CC4(CCOCC4)CC[C@@H]3CO)ccc2c1=O 1156263770 ZNKXDGPBAJWCSR-MRXNPFEDSA-N 429.542 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2CC#Cc2ccc(OC(F)(F)F)cc2)C1 1175882939 MKIWTQVDFARKGT-UHFFFAOYSA-N 439.434 2.358 30 10 IEEE C[C@H]1CN([C@H](C)CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 1252369247 HHKFCLMQXUDIDY-KURKYZTESA-N 427.549 2.416 30 10 IEEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3c(C#N)nnn3Cc3ccccc3)C2=O)c1 1278717707 TWXTXCWPQUWIDY-GOSISDBHSA-N 443.467 2.350 30 10 IEEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286334194 SYZYICKOIQCWMG-JOCHJYFZSA-N 428.625 2.265 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1286370065 ZELKLERGJYHPOI-UHFFFAOYSA-N 449.559 2.468 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C1CC1 1286418849 RFKKENPMBPQGGR-UHFFFAOYSA-N 429.322 2.025 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2noc(CC)n2)CC1 1286492852 JUPKGGVMBVRRQE-UHFFFAOYSA-N 427.553 2.021 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(C)=O)c1 1286765841 KKWDCSFWBSWXJK-UHFFFAOYSA-N 426.521 2.160 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1286785973 LEVLAMQUVHHLBQ-NRFANRHFSA-N 438.576 2.094 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCC(C)C)CCO1 1299133079 DLXWAZWWXNLDRZ-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300310669 YMHRYODPVNIIJN-BBWFWOEESA-N 429.487 2.283 30 10 IEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300393446 DKCHTXAJDVXPPD-UHFFFAOYSA-N 434.500 2.032 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300425305 SKLQOQHKVDPAHW-HSZRJFAPSA-N 441.532 2.288 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC[C@@H]1NC(=O)NC1=O 1300444335 ZPQNMGVMTVVJTE-SFHVURJKSA-N 448.483 2.175 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1300490658 AQSQLYAODFSYRS-IRXDYDNUSA-N 431.587 2.028 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(OC)CCOC2)CC1 1300707786 JPSRPNFORVSGIG-DEOSSOPVSA-N 439.560 2.035 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300802177 JLNDAGKBGPNCNZ-SIKLNZKXSA-N 428.558 2.367 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1301019359 IBVUXLZGTVMSGW-INIZCTEOSA-N 449.964 2.302 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)s1 1301192330 RIAQRWSLNANPNX-HNNXBMFYSA-N 448.570 2.027 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1301356504 AIQCAFYRZPBAHW-HNNXBMFYSA-N 439.607 2.448 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCC1(F)F 1301808894 HOKTUKURWDDWCW-HOTGVXAUSA-N 445.536 2.372 30 10 IEEE CS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1302465026 JBUDYEASORVCJO-CEXWTWQISA-N 429.546 2.308 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CCN(CCC#N)CC3)ccc2NC1=O 1302597712 WVQJMOSFVIJBIO-IBGZPJMESA-N 441.532 2.136 30 10 IEEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316540522 LIQRHFJKBHFDMY-UYAOXDASSA-N 440.523 2.223 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2NC1=O 1338477547 PXCXBLURBQFSIR-XJKSGUPXSA-N 433.420 2.057 30 10 IEEE C=CCO[C@@H]1CCN(C(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1342193863 BXEYTWYLFFLVBI-CQSZACIVSA-N 445.994 2.335 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1358896213 ZLDOHHRFQOWOCQ-QGZVFWFLSA-N 442.564 2.426 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358966200 JTXIILCJZUQHBS-LQBOVUBWSA-N 434.606 2.189 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359021851 DKQRXJPEYYWSJF-LJQANCHMSA-N 449.559 2.038 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1359023034 WJOMIDMIVYDKSZ-XXBNENTESA-N 425.533 2.463 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc3[nH]ccc3c2)CC1 1359030631 ZSEYYJVILXGIKZ-IBGZPJMESA-N 436.560 2.481 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCN(C)C(C)C)CC1 1359030835 HOLRHIJPCFKISX-UHFFFAOYSA-N 432.576 2.431 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359123265 UTNUTLKKVUPJOM-JOCHJYFZSA-N 431.544 2.189 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359136790 UZOSLCPLBMALBF-MRXNPFEDSA-N 438.525 2.212 30 10 IEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@H]2OC)CC1 1359173237 ZZMVGYJOZYBNEV-QZTJIDSGSA-N 426.521 2.379 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359215622 GEGPJCOMZUELMW-YLJYHZDGSA-N 427.505 2.098 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1359307251 FMIASGGNMBPTNR-FXAWDEMLSA-N 425.533 2.452 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359330588 WZXCTCZXBWCMRY-ZWKOTPCHSA-N 445.589 2.227 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359476513 GINWRFYJKVFBGJ-JKSUJKDBSA-N 433.557 2.252 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1359486302 XLMHOBFNNILPLB-CABCVRRESA-N 428.518 2.035 30 10 IEEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1360102463 HBLITGLDQJZXTI-UHFFFAOYSA-N 440.569 2.088 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(CO)n3C)cc1 1441666080 PAJKPSVEANGCEP-CLCOLTQESA-N 441.513 2.131 30 10 IEEE Cc1nc(SCC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c(C#N)c(C)c1C 1454977493 UKPRJMIMTNODME-UHFFFAOYSA-N 437.525 2.339 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](C(N)=O)c2cccc(Br)c2)c1 1459840577 MIBCQQXQLYLQNV-SFHVURJKSA-N 443.301 2.237 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1463793847 HFMJPNFFHKNTGF-CQSZACIVSA-N 435.269 2.345 30 10 IEEE C=CC1(CC(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1465393109 ZRZNDDBXHIBJDI-SFHVURJKSA-N 449.573 2.411 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1468558503 UJAAMQMSFNYMOH-FIAZIHOUSA-N 448.519 2.261 30 10 IEEE N#C[C@]12CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C[C@H]1CS(=O)(=O)C2 1478739872 CSDJHYCPQYNMAU-ILXVDBEPSA-N 438.347 2.275 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1501406657 DFDAQTUFQLDNMI-MFEFFIJZSA-N 438.532 2.068 30 10 IEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1503794344 FWSPZTVFNONEMD-SFHVURJKSA-N 426.521 2.118 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCOC1 1504873876 MCCRDMQDWMDYNY-WOJBJXKFSA-N 438.532 2.180 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1507532145 BUWHQTADVHLOAK-NQIIRXRSSA-N 436.560 2.210 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633284 RRGDEONCVXCKMF-MISYRCLQSA-N 428.558 2.212 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(C)(=O)=O 1507642046 OKZQDVHNKNUFLX-UHFFFAOYSA-N 435.553 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)C(C)(C)C 1507645385 YSAZJUSHBSBZLY-UHFFFAOYSA-N 429.502 2.139 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H](c1ccccc1)N1CCOCC1 1507708437 IAZFUWRHKWTBNC-QHCPKHFHSA-N 446.555 2.500 30 10 IEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F 1507755788 WBEPEYMCJVNRDT-CQSZACIVSA-N 425.509 2.379 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1507773739 VSRCICLQPIUOLY-WZONZLPQSA-N 442.585 2.448 30 10 IEEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)N(C)C)CC1 1507902051 HRIVXHDIZPOCKW-LJQANCHMSA-N 447.561 2.084 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCOC2)C1 1508119406 ZOMKEWYUVGEOHP-MBSDFSHPSA-N 444.532 2.285 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1508130335 HERIUMPEMPCTLX-IBGZPJMESA-N 445.589 2.311 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1508431246 FOITUXBVCBDKGL-IRXDYDNUSA-N 436.557 2.345 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1509952752 JOBZULZOSLNWJE-VHSXEESVSA-N 444.849 2.422 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1509965344 MEZOYHMIVVSEQE-HFXUHXBXSA-N 438.532 2.245 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)O1 1513535678 ODUIIPHQCVOYMT-YAJHFMINSA-N 438.598 2.366 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 1516761746 MSYCSCKWCMLLKZ-HNNXBMFYSA-N 438.415 2.165 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)cn1 1517377442 KPOJZSVSJMZUFR-OAHLLOKOSA-N 438.492 2.295 30 10 IEEE CN1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)C1 1517411251 DERRJFYNGXBNEP-MOPGFXCFSA-N 448.369 2.232 30 10 IEEE CCc1c(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C 1536458009 BDHIIOIPDNGGKX-INIZCTEOSA-N 445.401 2.100 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCC(=O)N(C)C)c1 1539039450 CZZILFXXVASULN-UHFFFAOYSA-N 434.500 2.381 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1 1539178000 DEBZNYBHPZLVHD-SQNIBIBYSA-N 433.553 2.207 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539514749 USXZNSAKEKIGKM-JKSUJKDBSA-N 448.593 2.041 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1540044186 OAYDLFOKNUASGT-UHFFFAOYSA-N 427.509 2.415 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540871885 WNGFOQISQVXCPC-UHFFFAOYSA-N 434.585 2.474 30 10 IEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1540912205 PUFMDUQCGGGKDP-UHFFFAOYSA-N 425.555 2.085 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)C(C)(C)C)C2)C1 1543680275 XENKMJONJQVWJF-CHWWFWEZSA-N 427.567 2.103 30 10 IEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1552911977 JBLDZBSAJKCGGJ-OAHLLOKOSA-N 425.461 2.069 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1554164921 BSKNBBIQXUARMS-RTBURBONSA-N 429.546 2.115 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555273965 FBMCPJHQLHGLED-IRXDYDNUSA-N 432.475 2.104 30 10 IEEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C(F)(F)F)nc1 1558215191 XZKQVMCPGIKBEK-LLVKDONJSA-N 426.420 2.406 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1564847345 LCIPHFBCYJDBON-WOJBJXKFSA-N 436.597 2.435 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(S(=O)(=O)NC)c1 1587656598 KMRQEUUKCSNWAK-OAHLLOKOSA-N 429.571 2.345 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnc(C)s2)c1 1587692787 LPMJOZVXXFNFBK-SFHVURJKSA-N 449.540 2.099 30 10 IEEE Cc1c(Br)cncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588158206 RHVLQMHSFMJXDF-UHFFFAOYSA-N 449.330 2.171 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCC(OC)CC2)CCCC1 1588262515 GCJSHUVNVVSTBF-UHFFFAOYSA-N 430.597 2.299 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1Cc1cnn(CCOC)c1 1588550443 RLWIAKFNGRFIKU-FQEVSTJZSA-N 438.507 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC[C@H]2CCCCO2)CC1 1588923879 OVFOJFXSZUXUOB-LJQANCHMSA-N 437.548 2.050 30 10 IEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1589115955 AAUSAMIJWZCKRK-JOCHJYFZSA-N 444.557 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1589242718 GWLXYRWKOFZROR-JOCHJYFZSA-N 443.573 2.193 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1595302719 CYAHUYZEYWPKNS-RBUKOAKNSA-N 425.533 2.474 30 10 IEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NC(=O)c5ccccc5)CO[C@H]34)n2)c1 1616132852 NVEDZPPSPQIZLA-GXRSIYKFSA-N 427.464 2.392 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623849835 KUUIEKWAHAFMOP-HTAPYJJXSA-N 429.521 2.064 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CNC(=O)N2CCCC2)c1 1626104464 WZOVLRJDBPSPOD-PTGBLXJZSA-N 435.550 2.024 30 10 IEEE COc1ncc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1C#N 1626396791 GRTBOHOMIQEACJ-UHFFFAOYSA-N 428.246 2.463 30 10 IEEE Cc1cnn(-c2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(N)cc2F)c1 1626700049 NURKHQCMNTXUCJ-HXUWFJFHSA-N 432.459 2.305 30 10 IEEE CO[C@@](C)(C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1634947614 VKMZEHKBZQXZKS-QHCPKHFHSA-N 441.532 2.430 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(c3nnc(O)o3)CC2)C1 1640551226 NYLDJWCSJKKERX-UHFFFAOYSA-N 432.278 2.252 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](CC(F)(F)F)C1 1641088441 KMNQDDDVIYFHHE-CQSZACIVSA-N 447.479 2.465 30 10 IEEE Cc1c(C#N)cccc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1641368097 SESIHIRZEBXNPT-RYRKJORJSA-N 433.530 2.475 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 1648413644 FWHUTQXANICYRL-HTAPYJJXSA-N 447.557 2.118 30 10 IEEE C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648787834 YPGMMLPTQTXBOM-INIZCTEOSA-N 430.464 2.262 30 10 IEEE N#Cc1cn(C2CN(C(=O)/C=C/c3ccccc3OCc3ccccc3)C2)c(=O)nc1O 1653763111 PMZMULYOTMXVFU-ZHACJKMWSA-N 428.448 2.496 30 10 IEEE C[C@@H]1OCC[C@]12CN(S(=O)(=O)c1cc(Br)c(C#N)cc1F)C[C@@H](C)O2 1655215421 CDRCMTPUPXGOOW-GDLVEWKHSA-N 433.299 2.417 30 10 IEEE Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)c3cccc(CC#N)c3)CC(=O)N2C(C)(C)C)cn1 1656002498 DODUZEAYZVQYPE-UZLBHIALSA-N 429.546 2.153 30 10 IEEE C#Cc1cccc(N(CC)Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)c1 1657774649 NPSBHEWMOGUXOB-UHFFFAOYSA-N 439.493 2.495 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C(=O)OCC 1664947708 QHEWTVMLNVKQHO-ZDUSSCGKSA-N 444.358 2.237 30 10 IEEE C#CCOc1ccccc1CNC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1678937520 LEAWVMAYLDXJSQ-YJBOKZPZSA-N 430.448 2.350 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCCCC1=O 1690098558 MTIRIGLIOOUXON-UHFFFAOYSA-N 439.516 2.162 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1690155453 KDYPOKXGDBULFV-YESZJQIVSA-N 425.624 2.271 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cnccn1 1690236995 UOOJWIIRKGEMQB-XLIONFOSSA-N 448.531 2.376 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1690334574 UJBIJJMAURHOLW-UHFFFAOYSA-N 434.884 2.337 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690664566 XRGYRNFETBBMOT-LJQANCHMSA-N 445.589 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690717753 PNZFRPQGUQZPHS-VQIMIIECSA-N 429.546 2.279 30 10 IEEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1696497583 GQWAZGJGLWMPRX-LJQANCHMSA-N 446.577 2.010 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1705502670 IDIZAAFGFCCYGE-UXHICEINSA-N 439.560 2.427 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1705549821 JKJIDMFXVUGCMO-QHCPKHFHSA-N 432.484 2.245 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)CC1 1705640309 NANIHASEUGEQBI-IBGZPJMESA-N 446.596 2.388 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN(C)[C@@H](C)CC)CC1 1705643161 UUHGXVSQRCPPSZ-IBGZPJMESA-N 428.556 2.482 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705662873 OFSPMOHUUHCOLP-UHFFFAOYSA-N 437.573 2.249 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)COCCO2)C1 1705929560 SSVLHVTYACQIBG-WZONZLPQSA-N 444.532 2.453 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC1CC1 1706743411 JJGOYZOQMWXRPT-CQSZACIVSA-N 432.506 2.416 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1706748367 IJUQBJQMYUVUPV-CJNGLKHVSA-N 434.504 2.247 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)CCO1 1712302786 AMPQUYRGWQAJGU-SESVDKBCSA-N 441.532 2.395 30 10 IEEE COCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1712410238 GTSPLTITBRRABE-ZPHPHTNESA-N 448.886 2.347 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1722305777 LVOXMBAELVZIKK-ZACQAIPSSA-N 432.569 2.421 30 10 IEEE C#CCN(c1nnc(CC)n1CCCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722368813 WIIPDUDWYPKISQ-SFHVURJKSA-N 440.573 2.216 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCOc1cccc(C(F)(F)F)n1 1722387392 KUVPJMJFVCAYDQ-UHFFFAOYSA-N 448.449 2.372 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1722503253 WIPDRMKKVJDTQI-HZPDHXFCSA-N 430.553 2.077 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722591556 KIHIIYWOMNMKQU-UHFFFAOYSA-N 425.581 2.076 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722609090 RYZDMJRXHXCFOG-KRWDZBQOSA-N 444.923 2.469 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1723676309 IBIGTRALNHZWCY-JOCHJYFZSA-N 432.569 2.221 30 10 IEEE CCOCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1729007966 BSJGUUNIAWNYDS-QGZVFWFLSA-N 428.512 2.428 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)on1 1730749820 CYIFDGMBEXWALJ-UHFFFAOYSA-N 449.515 2.384 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740544192 ACHGMFUWCXFWRM-DLBZAZTESA-N 438.557 2.233 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ncn(C)n1 1740649348 RWEHUAXVFMDYFI-SFHVURJKSA-N 433.516 2.457 30 10 IEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1740719516 NWORKGVLLRWCGV-UHFFFAOYSA-N 429.521 2.453 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(COC)CCCC1 1740724755 IHGSUGLMJKQKMS-YLJYHZDGSA-N 437.610 2.477 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CC(N)=O 1740758026 YVPGYQBSNZAQBW-KKVAFCGZSA-N 427.505 2.355 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740863817 GYACIAVSZYQMJL-ROUUACIJSA-N 437.610 2.279 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740865407 UAYJQTWFRZPTQJ-HXUWFJFHSA-N 430.597 2.273 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(OC)CCOC2)C1 1740973630 ATXPOUNPRTYEID-RXVVDRJESA-N 429.477 2.440 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)C1 1740983357 GSZACKJCBQMRFP-REWPJTCUSA-N 428.533 2.005 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1741126899 VXJBJWCJAOJZPD-ZDUSSCGKSA-N 437.342 2.183 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1741798044 DOSIMCUZKMFRHY-DLBZAZTESA-N 446.577 2.360 30 10 IEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1747924747 IDEFLAYNWCHOFR-KRWDZBQOSA-N 433.438 2.430 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1748641702 JKLJYFYXDLPBSV-JTAQYXEDSA-N 433.597 2.133 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1748776154 AUERMQUOMGRTJO-KXBFYZLASA-N 430.505 2.092 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748802059 KOUJWRHMJVRTMN-PMACEKPBSA-N 447.580 2.470 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CCOCC)CC1 1748842603 ONSSYYIUFYSFSW-UHFFFAOYSA-N 444.539 2.472 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCc1nnc2n1CCCCC2 1748896553 FQUWHSXZGJZRLP-UHFFFAOYSA-N 428.544 2.287 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)CC1 1748991390 VTDDCZBSUCQITC-RBUKOAKNSA-N 446.596 2.183 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1749020085 KYUQXCXEOSAOKX-IBGZPJMESA-N 438.557 2.232 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)CC#C 1749024469 RNQKFBSPROZOPP-UHFFFAOYSA-N 431.587 2.021 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749677390 XRLHQAKNABGELZ-NRFANRHFSA-N 449.559 2.449 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C)C(C)(C)C2)C1 1749705204 GSRRIPJDDGBNNW-LJQANCHMSA-N 427.597 2.091 30 10 IEEE COCCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1749737406 FBVHFJGSCVVMIP-UHFFFAOYSA-N 438.532 2.433 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(N2CCCC2)CCOCC1 1750118253 PEGFLBJXOKARQA-AABGKKOBSA-N 446.596 2.243 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)C[C@@H]1O 1750336201 SBQHWJUZXRYBHU-GTCCEBARSA-N 426.590 2.461 30 10 IEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1750803939 CPUVSUQGAHOGPV-UYAOXDASSA-N 438.532 2.377 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1752307878 NTIHZOSGAHRERX-GJZGRUSLSA-N 441.513 2.475 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(C)C 1760097376 DIQBAWLXJYCCRR-IAGOWNOFSA-N 433.578 2.429 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1760145931 YLNRLROCJQRKRH-DLBZAZTESA-N 448.568 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nc(C)c(C)s1 1760170604 IZOYLCGSVFQERV-UHFFFAOYSA-N 429.575 2.429 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189783 WSGMRAUKVHBUOJ-SJORKVTESA-N 426.608 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1760211785 MFYWCPGVFSTGCM-ZEQRLZLVSA-N 440.519 2.440 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1760272186 BIQMZGPHXADXPO-QFIPXVFZSA-N 427.574 2.189 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760287563 XECHVMLMRQGOSN-KHCICDEESA-N 442.608 2.394 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@H](C)C1 1760289139 MMZCPTYKAKNKFN-TWFHAPMSSA-N 436.626 2.001 30 10 IEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1CSC 1760300539 HOZDFCGWMXXOTM-NWDGAFQWSA-N 438.417 2.129 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760339160 ZJFPBIUJRFXCJP-OTWHNJEPSA-N 437.610 2.389 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760373817 CDWGEQYINPHCBB-ZWKOTPCHSA-N 447.948 2.382 30 10 IEEE C=C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1760390465 LFGYVGGYNLSPNW-UHFFFAOYSA-N 428.562 2.446 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1760495531 QMJOHQBBHBYPGY-LJQANCHMSA-N 443.573 2.017 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760514801 FUOAMJWXWIUDEF-GFCCVEGCSA-N 437.342 2.342 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@H]2C)cc1 1760529254 BGOIBYHBERVVLC-AEFFLSMTSA-N 432.546 2.018 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)NCc1ccccc1 1764919207 DPRRJNCMNBCROD-UHFFFAOYSA-N 444.543 2.140 30 10 IEEE CN(C)C(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766864019 CBUGZEMXJSHGMN-PMACEKPBSA-N 438.532 2.448 30 10 IEEE C=CCN(C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1)c1ccc(C#N)cn1 1850817655 LIEGLMGEVMCNMP-UHFFFAOYSA-N 432.528 2.482 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2nncn2C2CCCCC2)CC1 1852056195 PWAAQEGRZMFXBY-UHFFFAOYSA-N 438.532 2.387 30 10 IEEE COc1ccc2c(c1)[C@H](CC(=O)OCCN1CCN(c3ncccc3C#N)CC1)CC2=O 1852535258 UVEIQMPPXXEOHL-SFHVURJKSA-N 434.496 2.387 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2CCOC2)c2ccccc21 1854251906 VOCXAUXSZPTLEG-INIZCTEOSA-N 425.466 2.053 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862692591 PDQRVMOGDDJJRJ-HXUWFJFHSA-N 440.452 2.124 30 10 IEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870534998 BFCHLPWWBXLJTF-BGYRXZFFSA-N 432.609 2.349 30 10 IEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871714733 CQZRAESOEVHVAM-UHFFFAOYSA-N 443.596 2.051 30 10 IEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1cccc(OC)c1O 1874313540 ZQQVXCCFVIVLIV-FSJBWODESA-N 441.513 2.246 30 10 IEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1OC 1890261228 HHIRXEQRCPTXBL-UHFFFAOYSA-N 443.588 2.354 30 10 IEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060637198 IECNCIPJBRJRSK-KRWDZBQOSA-N 433.358 2.379 30 10 IEEE CON(CC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2060637844 PKVSVBQQEZHPFK-UHFFFAOYSA-N 434.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)[C@@H]2C1 2124521855 LTRXKVAXWIMWMD-MCEUPANISA-N 448.369 2.419 30 10 IEEE CN(CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)C(=O)OC(C)(C)C 2243662596 BLZZMGZTAUEIBP-UHFFFAOYSA-N 425.722 2.262 30 10 IEEE CCN(CCN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255538619 NHJLPKKPGLMIDP-UHFFFAOYSA-N 436.362 2.048 30 10 IEEE CCCN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255617415 CDKUOURGOICVDQ-UHFFFAOYSA-N 434.346 2.180 30 10 IEEE C[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCN1C(=O)OC(C)(C)C 2255632521 NYHGCLMAVISDKY-KGLIPLIRSA-N 434.346 2.227 30 10 IEEE C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255633036 VQNARZTXUWAHQM-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255810209 AMAOXPTUSNKSJP-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1COc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256021105 HFCFREKJSRLQIT-KDOFPFPSSA-N 434.342 2.487 30 10 IEEE Cc1nc(NC(=O)CC2(NC(=O)OC(C)(C)C)CC2)ncc1B1OC(C)(C)C(C)(C)O1 2256615163 RWYSBPIURFGSTP-UHFFFAOYSA-N 432.330 2.470 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2260847454 XVXRFXZXBKDIDL-ULQDDVLXSA-N 434.342 2.152 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(CC2CC2)C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267092819 YMEKDCZYYKRLTA-UHFFFAOYSA-N 446.357 2.180 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267146022 KHQHHZDHLDOFHV-GDBMZVCRSA-N 448.373 2.426 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267496315 XMBUNXUKRNBSGV-CQSZACIVSA-N 448.373 2.047 30 10 IEEE CN1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267816550 QJIJNJUYNYAGBR-KRWDZBQOSA-N 446.401 2.213 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOCC1 2268650179 HQALSUHDLFWKNA-UHFFFAOYSA-N 447.341 2.393 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C=C[C@H](NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268653779 RDRVUVGKZOJBRK-CABCVRRESA-N 444.341 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)C#Cc2cccc(Br)c2)C1 2278745123 XVVVISIIOOMONL-MRXNPFEDSA-N 442.331 2.404 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278783939 MYDOTTMUBSNQOC-CRAIPNDOSA-N 443.363 2.210 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)OC1(C)C 2282666024 DUHRDUFGBKWUST-QKNQBKEWSA-N 448.376 2.416 30 10 IEEE C[C@H]1COCCN1CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2285427533 BPFNZSVAJIHFBW-ZDUSSCGKSA-N 427.148 2.243 30 10 IEEE Cc1cc(C)nc(NC(=NCCc2cnc[nH]2)NC(=O)C=Cc2ccc3c(c2)OCO3)n1 2313843900 DQRRMFRNIPWDHA-UHFFFAOYSA-N 433.472 2.385 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322254095 IFZOHVNILBUXJR-XJKSGUPXSA-N 438.305 2.438 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)[nH]1 2337022048 LLFUZYWAOVRJAV-GAJHUEQPSA-N 445.369 2.301 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCN(Cc2ccccc2)C1 2337198417 JNLBIAWRDSLILC-IBGZPJMESA-N 438.381 2.456 30 10 IEEE N#C[C@H]1CC(F)(F)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338906306 MRPFZAAFNRLIIN-CQSZACIVSA-N 425.457 2.406 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)OC 2352311991 VSDQSFPLZGKKFD-IKGGRYGDSA-N 427.339 2.289 30 10 IEEE CCOC(=O)c1c(NC(=O)[C@@H](CC)n2c(N)nnc2SCC#N)oc(C)c1C(C)=O 40173532 NMFDWBSBMWKLSR-LLVKDONJSA-N 434.478 2.347 30 10 IEEE CC[C@@H](NC(=O)c1cc(I)ccc1Br)/C(N)=N/O 233896389 MKMBBOIWFHJQBX-SECBINFHSA-N 426.052 2.309 30 10 IEEE C[C@@H]1C[C@]2(CCO1)CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C[C@@H](C)O2 430286199 XADBWHVQRLNJER-NXWNEQKCSA-N 432.590 2.115 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](NC(=O)NCc1ccc(F)cc1)C(C)C 461735286 HAATUTQCBABCTG-FQEVSTJZSA-N 449.490 3.049 30 10 IEEE CC(C)Cc1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 471405369 LUOWYFNJPZKFBR-UHFFFAOYSA-N 428.518 2.085 30 10 IEEE COCCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N 483087981 VIHKCHFDNVVGJO-QGZVFWFLSA-N 427.505 2.254 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 485607420 DZRBGTOHKYASSL-MRXNPFEDSA-N 433.456 2.467 30 10 IEEE N#Cc1ccccc1OCc1ccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)o1 513551880 FMQURSAURAXSOW-UHFFFAOYSA-N 429.498 2.417 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)o3)c2=O)cc1F 524749304 SKTMEHCQTGBZBI-UHFFFAOYSA-N 449.463 2.384 30 10 IEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 549273418 YJEPBUZSKZSOOC-GOSISDBHSA-N 437.552 2.113 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1ccccc1 549564330 JNADTWFJNCWDGR-UHFFFAOYSA-N 444.543 2.252 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)N(C)C)CC1 549647352 PXDDVTUNHNQIPQ-UHFFFAOYSA-N 431.562 2.229 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)OC)c1 557270036 MQBOYYOQVBPVOZ-KRWDZBQOSA-N 434.489 2.052 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 564382648 PNNUOVUJSGTRTR-QGZVFWFLSA-N 441.504 2.102 30 10 IEEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2Cc2ccccc2)cn1 575776033 YCJLEJISJZVHCT-UHFFFAOYSA-N 425.500 2.320 30 10 IEEE COc1ccc([C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)N(C)C)cc1OC 603745819 LSCHOMYSVOWVRV-IBGZPJMESA-N 438.532 2.105 30 10 IEEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1NC(=O)CCN(C)C 613510305 SKZZDIMRYFUYSQ-UHFFFAOYSA-N 425.464 2.151 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccc(C)o2)cn1 730144587 OTGJUPMZYUINIB-SFHVURJKSA-N 446.577 2.047 30 10 IEEE CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc(C(C)C)nc21 732664113 DHRYTDCZAKWGRC-MRXNPFEDSA-N 438.532 2.089 30 10 IEEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CCN1C1CC1 732664535 LDUDTSDUXZDJAG-KRWDZBQOSA-N 428.489 2.439 30 10 IEEE COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732668848 ANMUZMHLGOJBMR-LBPRGKRZSA-N 434.743 2.472 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 733889983 DTVNGUYVXBVFGT-SXZOAGKDSA-N 447.333 2.308 30 10 IEEE CCN1CC[C@H](N(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 741703043 KEEUOYUIPBVVDC-MJGOQNOKSA-N 434.606 2.474 30 10 IEEE N#Cc1ccsc1NC(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 750420640 CFGDWDHUVFZZNR-UHFFFAOYSA-N 433.247 2.153 30 10 IEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 750842436 QIHYVXILNDWHSA-WZUFQYTHSA-N 432.436 2.408 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCOC2)cc1 752844033 DWDQPASJGDPUFH-HKUYNNGSSA-N 438.532 2.079 30 10 IEEE C=CCNC(=O)Nc1ccc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 754926869 WYOOTDBFDWJXLC-KRWDZBQOSA-N 445.520 2.448 30 10 IEEE C[C@@H]1OCCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O 757486312 PRRCQDKACJDKAU-HJPURHCSSA-N 448.475 2.229 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)OCc2nnc(-c3ccccc3)n2C)ccc1F 771898382 NLWXQPLXWIZQSI-UHFFFAOYSA-N 430.461 2.443 30 10 IEEE C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 781392909 RQOYLTPANHKZQY-HNNXBMFYSA-N 441.509 2.411 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC[C@H]1CCOC1 784125797 STACNMJWZYYJSY-QFBILLFUSA-N 448.589 2.121 30 10 IEEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 790712198 DBRVFIHETGCONA-VQIMIIECSA-N 444.557 2.217 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)S(C)(=O)=O 800777981 YGHGMMSGRJLVCS-UHFFFAOYSA-N 439.969 2.307 30 10 IEEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 802565977 SZEOFYMBEKTMBT-UHFFFAOYSA-N 426.521 2.386 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C 809922032 RHGNMXPFKMWNFK-KRWDZBQOSA-N 431.541 2.451 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 811042480 NDXFPSAJGDFPIA-YUELXQCFSA-N 426.489 2.067 30 10 IEEE CN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Cc1ccc(C#N)cc1 914788874 HNOPPZPNRZSAFK-LFIBNONCSA-N 438.553 2.135 30 10 IEEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2c(Cl)nc3sccn23)cc1 916132334 ZHFLUQKAIBXHDZ-WAYWQWQTSA-N 425.875 2.308 30 10 IEEE COc1ccc(-c2cnc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)o2)cc1 920893010 AUWMWAXBRPTSQI-UHFFFAOYSA-N 427.438 2.244 30 10 IEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)cc(OC)c1 1083930250 SMCOXLQGHQOAMJ-UHFFFAOYSA-N 442.501 2.382 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)c1 1136583672 CSXAOGLEUZZABM-UHFFFAOYSA-N 442.493 2.029 30 10 IEEE CN(C)c1cc(C#N)cc(C(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)c1 1165425569 HVBQRHUBDTZQEC-SFHVURJKSA-N 440.544 2.419 30 10 IEEE C=CCn1cc(CNC(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)nn1 1233796970 IETJDTWFEWBJSM-MRXNPFEDSA-N 433.310 2.140 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286338377 AFAGOSKJYALEEC-UHFFFAOYSA-N 446.502 2.170 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@H](CO)O1 1286368367 YBUYXUFFGJBBHG-LSDHHAIUSA-N 435.322 2.326 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCc1ccco1 1286406969 NMWNXOTZBWSZJO-UHFFFAOYSA-N 426.480 2.419 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCc2ccccc2)CC1 1286484972 SJNRNISGZCZREI-UHFFFAOYSA-N 433.560 2.112 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@@H](C)C2)CC1 1286488879 WXGCUQPTTZSSOZ-IMWIBFENSA-N 443.592 2.332 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1)C1CC1 1286734028 MGEHXFOKDWCYNS-UHFFFAOYSA-N 435.532 2.349 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1286820322 JKVNAKIXLGUMKQ-GOSISDBHSA-N 448.545 2.486 30 10 IEEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)OC 1291424675 AQBZFCIHOZHMEL-JOCLIGHLSA-N 427.505 2.351 30 10 IEEE CCCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1294295032 FIUQGVZTSCXXCK-GOSISDBHSA-N 449.519 2.008 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)C2)C1 1298716025 BNEXBIWCIXXRLY-ZRSCRABMSA-N 430.549 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1300303828 KSFSLRRJOYIEQK-SESVDKBCSA-N 436.560 2.069 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(C(N)=O)nc1 1300431192 UOHWMBYUGHPBOL-MRXNPFEDSA-N 434.500 2.428 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300492361 NCRCIUVBEXQZGE-KRWDZBQOSA-N 428.562 2.332 30 10 IEEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1300516689 HWYJZLGWWKSSBY-QZTJIDSGSA-N 427.505 2.268 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1300631224 NTWQBAMUQHUXDK-SFHVURJKSA-N 443.573 2.427 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccs1 1300665789 NZSORJJLPHKYFU-UHFFFAOYSA-N 438.561 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(C)C2CC2)CC1 1300721925 DGOZKBORCDUVSO-SFHVURJKSA-N 426.565 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCCCC2)CC1 1300726430 KUHVXBBZKZMGES-UHFFFAOYSA-N 449.603 2.106 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1300768502 SLGOIUIQBVOSEC-UHFFFAOYSA-N 442.589 2.118 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1300999474 CTYXEJFHCUOSCY-QGZVFWFLSA-N 429.521 2.125 30 10 IEEE COC[C@H](F)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301066269 AIIPFJCTVNGREC-OAHLLOKOSA-N 443.508 2.153 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC)C1 1301221071 HGPJOFALFVXPDH-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2)C1 1301538560 ISBFTAGPHAAXDW-CRAIPNDOSA-N 437.541 2.051 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1303735142 AWBGBPZNBHLVQS-VFNWGFHPSA-N 430.459 2.449 30 10 IEEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1304713825 FGYZTTGJPGILSW-UHFFFAOYSA-N 431.504 2.304 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3Cc4cccc(C#N)c4C3)CC2)cc1 1307894048 XBOKJZWMDLMBGB-SFHVURJKSA-N 438.553 2.104 30 10 IEEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CC[C@](C)(C#N)C3)C2=O)cc1 1307950672 ZWPDVYJSYIBKOX-OFFMQOAPSA-N 442.541 2.473 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)nc1O 1312307609 CHNUPWNGKATQHF-GDBMZVCRSA-N 435.406 2.475 30 10 IEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)CC1 1315055905 DQKCWGGZUKGHAU-GOSISDBHSA-N 436.564 2.010 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1315081535 VVBYCHLGNGRDMM-AOMKIAJQSA-N 443.504 2.221 30 10 IEEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 1320039433 KVBAJVKOIZBRMI-OAHLLOKOSA-N 428.396 2.432 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1\N=CC=CC1=O 1358881576 IZLZSPGDTRNDPV-CQLPTELBSA-N 441.495 2.478 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccs2)CC1 1358903873 MHRTZZGTYCYILS-UHFFFAOYSA-N 427.578 2.491 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(C)=O)cc1 1359027015 SJKJCCOYUNMYHL-UHFFFAOYSA-N 435.532 2.232 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)[C@@H](C)CCC 1359065105 IPXHMNCVVLQZPM-NMNUPHIUSA-N 431.581 2.475 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2CC)CC1 1359164934 CZZHLJUZOZYRTF-HXUWFJFHSA-N 445.589 2.378 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359304151 OBDLOMDZQQPVIF-AZUAARDMSA-N 425.533 2.473 30 10 IEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1359308613 TXUIMFFMLPIOAH-UHFFFAOYSA-N 433.578 2.171 30 10 IEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)CC1 1360409427 HIQPYSAQNBOXJC-IBGZPJMESA-N 425.581 2.314 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1360482323 AJCUZHRQSDYSBE-ZTFGCOKTSA-N 428.541 2.146 30 10 IEEE C[C@@H]1CN(CCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1442912869 BHOAFKHXUIZCGN-UZLBHIALSA-N 428.533 2.229 30 10 IEEE COC(=O)c1cccc2c1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1450849566 ZJBIMCGJFTWWGG-FQEVSTJZSA-N 446.463 2.135 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3cccc4ccccc34)C2)cc1 1452635801 DENJJKGXLBSHNM-UHFFFAOYSA-N 435.505 2.375 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1464922192 FNBCFDOBULRVND-VZCXRCSSSA-N 440.500 2.236 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OC)[C@H]3CCC[C@H](OC)C3)ccc2c1=O 1469740058 BZTMLQAFQKFFCA-YEWWUXTCSA-N 445.541 2.348 30 10 IEEE CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)c1ccccc1OCC(=O)N(C)C 1477511124 FGZSXHJZTZBTMV-QGZVFWFLSA-N 430.505 2.093 30 10 IEEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1479284999 MYKKRYDSJPSWFL-UHFFFAOYSA-N 447.586 2.043 30 10 IEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCOC1 1502636528 YRBLMUVOOUGTPD-NFBKMPQASA-N 441.532 2.244 30 10 IEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCOC1 1502636530 YRBLMUVOOUGTPD-OFNKIYASSA-N 441.532 2.244 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1503213014 CHCNDXHKHKTLFJ-VGOFRKELSA-N 427.505 2.149 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1504753100 DGIMTEFZOCREOU-RTWAWAEBSA-N 433.484 2.192 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1505274047 GKVCJACGOHHWOK-GLMREEGCSA-N 428.443 2.405 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(=O)N2CCOCC2)cc1 1505315678 PXSUGPPAWFZCNY-QGZVFWFLSA-N 430.459 2.157 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1507575702 SSKGDKVHSOTBIW-INIZCTEOSA-N 449.552 2.489 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1507643486 WBFVPMAPNXKUNN-HOTGVXAUSA-N 449.964 2.082 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507694753 RKVHQIHQUXQIET-BGYRXZFFSA-N 427.597 2.487 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2cc(C)cc(C)c2)CC1 1507740516 BAPWBIUIBBWSDX-UHFFFAOYSA-N 439.560 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@](C)(O)C2CC2)CC1 1507742514 KPHWBRDIXAJGIA-VWLOTQADSA-N 435.572 2.304 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1507796652 IVDMYIUPFAZXNP-CTNGQTDRSA-N 433.597 2.437 30 10 IEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507926378 DYTJNWDNTPCQMY-MRXNPFEDSA-N 431.562 2.372 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(C)C)CC1 1508139755 DNAFYARBGZTWBN-GOSISDBHSA-N 425.599 2.087 30 10 IEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCCC1 1508851557 HKIDQIRRHXQFMS-FQEVSTJZSA-N 442.589 2.172 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1509197849 HGSYCRBNZXQGFE-XANXLALBSA-N 428.537 2.151 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1509965352 MEZOYHMIVVSEQE-ZDWFVDTJSA-N 438.532 2.245 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCC[C@](C)(C#N)C2)CC1 1515902951 SHNIBXDCKKCBSD-TXTKFYIRSA-N 447.628 2.158 30 10 IEEE COCc1nocc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1518834780 QDMIXSJWGAAKNW-IBGZPJMESA-N 438.488 2.385 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCc1cccc(C(N)=O)c1 1519263325 ZPYROMHYDCIYBU-MRXNPFEDSA-N 426.521 2.084 30 10 IEEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]2CCCC[C@H]12 1527872910 UDEYURDLBJVIRE-GUDVDZBRSA-N 433.530 2.072 30 10 IEEE CN(c1cccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1)S(C)(=O)=O 1537555887 DXCQQUGKZVOHHN-KRWDZBQOSA-N 430.505 2.236 30 10 IEEE COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)COc1cccc(Br)c1C#N 1537579290 CVNAJBAHTUNIOQ-UHFFFAOYSA-N 436.218 2.240 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(O)c1 1539028461 AFSRODIRNBWUDV-CQSZACIVSA-N 425.514 2.490 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccc(F)cc1 1539193703 HXRSBHSUXBHCPU-NRFANRHFSA-N 427.505 2.386 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccn(C4CCOCC4)n3)CC2)cc1 1539457366 HLOWNAZOVQIFOQ-UHFFFAOYSA-N 443.529 2.146 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539500239 VPGWOCRESZSZAB-MAUKXSAKSA-N 431.518 2.460 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539705101 OYKMNFHISCEPQL-NJDAHSKKSA-N 444.624 2.375 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1540004579 BEQVAWKVQDAZKC-QZTJIDSGSA-N 425.599 2.450 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540873322 UUWZXWOZUYGTET-INIZCTEOSA-N 440.577 2.054 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](COc2ccccc2)C1 1540874667 NZWBIICKZUOGLW-HXUWFJFHSA-N 449.559 2.347 30 10 IEEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCOCC1 1542755315 NVPIJBQRURBJNZ-OAQYLSRUSA-N 425.533 2.492 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CC(F)(F)F)s2)s1 1545773291 FAOLHIWSUAVZQT-UHFFFAOYSA-N 426.467 2.350 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CCN1CCOC 1546725647 DEYZQQMJRUJBKN-FQEVSTJZSA-N 449.563 2.023 30 10 IEEE CN1C[C@@](C)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1554356087 ZQCSVBNHNPXHLP-VQTJNVASSA-N 432.887 2.431 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(N)=O)c2)CCO1 1555993113 IFQPLGYMPCDBPW-QGZVFWFLSA-N 437.891 2.064 30 10 IEEE C#CCC1(O)CCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)CC1 1558102256 DRSAYPGNXIKIDS-UHFFFAOYSA-N 426.517 2.267 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)nc2Br)cc1 1558500753 CKHALBBGDQXNIW-UHFFFAOYSA-N 441.282 2.105 30 10 IEEE CN(C)[C@H](CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(F)(F)F 1565324424 RHTBBRDEPPLNJA-QGZVFWFLSA-N 437.470 2.441 30 10 IEEE C#CCn1cc(CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)cn1 1568548854 OZKKDBIYSYBWLF-OAQYLSRUSA-N 427.461 2.481 30 10 IEEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCC[C@H](OC)C1 1585224959 GNHWJGKPTZVNKQ-AXWIHUDSSA-N 447.919 2.428 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCn3ccnc3C2)c1 1587697604 UUZIKBJSMCMICN-IBGZPJMESA-N 447.543 2.330 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1588049616 JODQLYVCNPTVNE-INIZCTEOSA-N 441.557 2.478 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1588139851 RZXPXHYGTPFXEZ-IBGZPJMESA-N 435.553 2.399 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)CCC)CC1 1588779784 CPVZUBVVCCTONW-QHCPKHFHSA-N 427.549 2.269 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN(CC)CCC(F)(F)F)CC1 1588877083 UWVORTZPJIHZFZ-QGZVFWFLSA-N 428.503 2.159 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1589216793 XSHHXHWZBFVQJI-WOIUINJBSA-N 433.622 2.437 30 10 IEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(Cn2cncn2)CC1 1589381480 DDTVNRKEWJZDAP-UHFFFAOYSA-N 430.314 2.152 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1589515497 OIJTXVUGYLZOBO-IHPCNDPISA-N 425.533 2.186 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1595250524 FRVKNSICPACNIH-QGZVFWFLSA-N 447.561 2.025 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595544518 JEWOIIGZXPFGIM-UHFFFAOYSA-N 436.560 2.129 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2S(C)(=O)=O)ccc1F 1597110575 ZFEHMBKHVHRNRA-UHFFFAOYSA-N 430.454 2.085 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1598441206 RHEWNOOOROOLAG-FDDCHVKYSA-N 445.491 2.434 30 10 IEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)N(C)[C@H]1C 1613902915 JKJHPMGGMGVGFX-BNTFOVEBSA-N 442.559 2.131 30 10 IEEE CCCCN(C)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1614504306 AELZNNXBNAJONM-SFHVURJKSA-N 437.596 2.339 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1617852648 ILRWPCVYNXAOCR-UHFFFAOYSA-N 440.363 2.280 30 10 IEEE CN(CCOC(C)(C)C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1618320262 VZTFMIBKXMMMTL-ZZEZOPTASA-N 439.520 2.118 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1620054901 OFSOYFJLOBZVRC-UHFFFAOYSA-N 435.532 2.425 30 10 IEEE C=CCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1622332650 QCXUMGAOIXYBRJ-CHWSQXEVSA-N 428.473 2.136 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c(C#N)cn1CCOC 1623545223 GYRYKUNUKLMBMO-KRWDZBQOSA-N 431.537 2.426 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1627606551 DLAFQVDQRKLXPW-GAJHUEQPSA-N 444.507 2.372 30 10 IEEE CCNS(=O)(=O)c1ccc(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1629647758 UIHLQKRIABHYHX-UHFFFAOYSA-N 427.526 2.221 30 10 IEEE CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2n[nH]cc2C#N)c1 1630638871 GVZQTLYJMDQQDE-UHFFFAOYSA-N 426.296 2.230 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3cccc(OCC)n3)CC2)c1 1637403541 SSHPEWFYSLTOFB-UHFFFAOYSA-N 444.557 2.343 30 10 IEEE COCCOc1ncccc1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1639984750 HEUCAFPQMMMCTC-UHFFFAOYSA-N 432.484 2.331 30 10 IEEE Cn1ccnc1[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(C)(C)CO 1640112467 CFOLUHUOUWBPTK-YOPALGQTSA-N 445.564 2.383 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)CC1 1646157494 UDIHJXBDUCSOSP-UHFFFAOYSA-N 430.551 2.346 30 10 IEEE CSCC[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1646250572 HGVWUSCJCLNXME-IIAWOOMASA-N 446.598 2.384 30 10 IEEE N#CC1(CCCCN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCC1 1657733156 SJZKRBKNWLDYTO-UHFFFAOYSA-N 447.605 2.089 30 10 IEEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1667574843 NPXXAMHAXGCFKN-UHFFFAOYSA-N 438.550 2.327 30 10 IEEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1 1683500065 AMVQLKSXCMEKGF-UONOGXRCSA-N 430.452 2.414 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1cccs1 1689963896 AHNQMICXQVKXHU-JOCHJYFZSA-N 437.573 2.491 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1690028527 ZQYZESDWHAAWPQ-IBGZPJMESA-N 444.580 2.001 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)c1ccco1 1690104522 YWRBTPUVJPRLEB-WMZHIEFXSA-N 438.484 2.377 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)CC1 1690116014 ZLPKRZPLFWRIGX-UHFFFAOYSA-N 428.544 2.476 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@@H]2C[C@H]2CCC)CC1 1690137988 OHXUHBPYXXWETD-PWHSHALESA-N 429.565 2.257 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1690308449 OGLJNOVOPOJRIG-UHFFFAOYSA-N 449.515 2.004 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1690648057 CAFQKWNBCNPXLF-UHFFFAOYSA-N 446.914 2.341 30 10 IEEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1692484818 MXRWOFCQQYTLQY-NQIIRXRSSA-N 438.576 2.259 30 10 IEEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1698437060 JRVWECMUXGDTJE-KRWDZBQOSA-N 426.546 2.293 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CC2CCS(=O)(=O)CC2)cc1 1698489602 SZGPATVYSJXIPB-UHFFFAOYSA-N 427.530 2.320 30 10 IEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705518013 IZAFGLZQICUZOH-HXUWFJFHSA-N 429.590 2.499 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1705524414 LMCJVEFWENQODR-ZENOOKHLSA-N 434.393 2.322 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705603623 RUPHRYZEZJKJLO-QGZVFWFLSA-N 430.553 2.373 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)CN(C)C1=O 1705623783 DXGMIOZFIPEWRG-NRFANRHFSA-N 431.924 2.171 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705658420 PILUFTCNEPGPLC-UHFFFAOYSA-N 448.618 2.005 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](NC(C)=O)C1 1705664088 VKEYOCKZBYGPJV-IBGZPJMESA-N 427.574 2.371 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1CSC 1705697042 JKTMOYLRAVJJRD-VQHPVUNQSA-N 443.639 2.201 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1705712763 GHMFLHNUEGWBSK-OAQYLSRUSA-N 431.562 2.229 30 10 IEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1705741172 IAFUZLOFJNYRNA-KDURUIRLSA-N 434.500 2.489 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1705926166 ZDBUTANFRBZQPV-OALUTQOASA-N 446.573 2.427 30 10 IEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1706227260 WXVOLVGNZSHXCD-AZUAARDMSA-N 449.559 2.084 30 10 IEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)no1 1708986860 CDCRSUVHKFCILN-KRWDZBQOSA-N 435.488 2.394 30 10 IEEE CN(Cc1cccc(F)c1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1711089263 CMKIRKXSIXHHEF-XUTLUUPISA-N 448.462 2.037 30 10 IEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCO[C@H]1C 1712458917 BODSOQIRKWMDTE-FDDCHVKYSA-N 438.532 2.187 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1nccc(C(F)(F)F)n1 1722352259 HCBOVEXSOKXXPR-UHFFFAOYSA-N 433.394 2.127 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1722369001 UYXVFBRHYXMINA-LPHOPBHVSA-N 447.561 2.054 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722454071 IMGCUHQMUROOOH-JOCHJYFZSA-N 443.573 2.291 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722464778 RISZEOOKRPZTDW-HBFSDRIKSA-N 444.605 2.486 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722505176 AOFGTBJCAHIACH-AQNXPRMDSA-N 431.581 2.458 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722555866 MRYXFIZZSFEVIM-HZPDHXFCSA-N 444.001 2.065 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cnc3ccccc32)CC1 1722574741 QUEYQPFYDGWUJT-MRXNPFEDSA-N 443.577 2.341 30 10 IEEE C=CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1722652745 OFXNBPKVSGYOEO-UHFFFAOYSA-N 438.557 2.309 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(CO)CC1 1722696239 GHLCWCRSYPULDA-UHFFFAOYSA-N 434.338 2.219 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCOC1 1729566575 GCFDGPQZAYADRU-ZFWWWQNUSA-N 435.326 2.201 30 10 IEEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1731187782 YOIQOUCIOSSZOR-HXUWFJFHSA-N 438.532 2.265 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740587878 ZOZIOHSHTMEQTH-SFHVURJKSA-N 427.516 2.439 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740627052 OGUFFXDIIYAODB-WOJBJXKFSA-N 428.558 2.156 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)c1cc(C)oc1C 1740629712 XBGFJWLVNNGVBZ-QHCPKHFHSA-N 425.533 2.387 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)CC(F)(F)F 1740646336 WGONQMROAOGGJM-UHFFFAOYSA-N 447.465 2.273 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 1740696724 DDWALCHFARRIOF-FQEVSTJZSA-N 429.952 2.083 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OC)c2OC)CC1 1740698549 WUEVXTUNDLUJBZ-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740715410 YMOFLHILFNEJBB-PKOBYXMFSA-N 442.589 2.074 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1740878925 AJWQVCWBTXKFFV-UHFFFAOYSA-N 431.566 2.087 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2ccco2)C1 1740984190 XTAFLZLKUBSTSI-KRWDZBQOSA-N 442.545 2.438 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1741006023 AJGPEBIYKXIZTE-MRXNPFEDSA-N 431.566 2.174 30 10 IEEE CC(C)(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1741169081 DTPCJVALBYUOBN-UHFFFAOYSA-N 439.564 2.223 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOc1ncccc1Cl 1742835147 FBKPNWZUGXRYJH-CQSZACIVSA-N 439.911 2.091 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1746646046 CBCGNYAXSWNZTM-VGSWGCGISA-N 432.569 2.317 30 10 IEEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCCS(=O)(=O)C1 1747241843 OIHWUKSFVPAFTJ-RLLQIKCJSA-N 443.573 2.383 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1748687076 BGMATAJRKNRBKD-RDJZCZTQSA-N 430.553 2.334 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1sc(C)nc1C 1748776998 VETPZSAXCQQHDE-UHFFFAOYSA-N 444.586 2.386 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748812321 SNHFZOUOIFBUMH-LMMKCTJWSA-N 431.562 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCOC[C@H]1C 1748842022 CZVHGAWCTYMLAH-LJQANCHMSA-N 430.512 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCCC2)CC1 1748979778 MKOANOOMJSQLPE-UHFFFAOYSA-N 427.574 2.294 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nnc(C)s2)CC1 1749000240 PYHSIEKFHWESFG-SJLPKXTDSA-N 429.594 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CCc3ccccc32)CC1 1749014396 IKUDACBQDKHCEC-RUZDIDTESA-N 435.572 2.276 30 10 IEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749231961 AAZUTYFHPMUXSE-FQEVSTJZSA-N 426.565 2.015 30 10 IEEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1749349352 RBVWALNAMNCKLT-FXAWDEMLSA-N 444.511 2.128 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1cnn(C)n1 1749465032 LFCIVCRVEPLVCX-UHFFFAOYSA-N 428.928 2.245 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccccc1CC 1749668913 ASJOIQSLXPFRLE-SFHVURJKSA-N 440.548 2.112 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](OC)C1 1749725071 NWBVSAHPDZQNEC-MAUKXSAKSA-N 438.525 2.383 30 10 IEEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750111669 AVXYNQAOZPSRQX-HXUWFJFHSA-N 444.511 2.130 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCSCCCO)cc1 1750383209 QXZDEPUDPFGRTC-LJQANCHMSA-N 440.573 2.133 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCOC(F)F 1750966518 QJKSZLZGHWYBLB-UHFFFAOYSA-N 447.490 2.244 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1760124361 HKMHNWJUXAZBOE-IRXDYDNUSA-N 428.541 2.490 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CCC)C(=O)C1 1760147529 VGETZYZCKYFYDJ-UHFFFAOYSA-N 443.573 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC=CCO2)CC1 1760268718 WEEHMZOIJQJKOV-LJQANCHMSA-N 435.528 2.265 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1760335013 QSMFDCYULUKZKX-GOSISDBHSA-N 426.521 2.157 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760349902 HGLOEEFHCLDMAO-UHFFFAOYSA-N 434.548 2.220 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760373938 FMMKXYHFDZXGPR-QWHCGFSZSA-N 441.907 2.006 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1)C1CC1 1760470612 XPDGHXULBDBIIG-LBPRGKRZSA-N 433.563 2.096 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1760542134 DLWHYGCHNSWPJY-SFHVURJKSA-N 434.537 2.367 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC=C(COC)CC1 1760557071 ZLOMVFWVRNBARS-UHFFFAOYSA-N 434.537 2.392 30 10 IEEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)s1 1760721242 DIMQWCKUNHJVNS-UHFFFAOYSA-N 436.545 2.340 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1766714347 AAHLAIFCROETEW-NRFANRHFSA-N 441.561 2.276 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1767063991 RMZKUNMTQQHAAX-MOPGFXCFSA-N 427.530 2.033 30 10 IEEE CO[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769563339 WQOFXFZNRNORNJ-CZUORRHYSA-N 448.369 2.258 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCc1nccc(C(F)(F)F)n1 1769843253 CYSXLDJQZYEDAV-UHFFFAOYSA-N 449.441 2.097 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1770054683 ZZNDNGGFEKZLRV-APWZRJJASA-N 427.505 2.104 30 10 IEEE CN=C(C[N+](=O)[O-])N(C)C(=O)C[C@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O 1851960523 FYLYWQZRWGPHBF-QGZVFWFLSA-N 438.440 2.266 30 10 IEEE Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1ccc(C#N)cc1I)CC2 1852615494 BYGLXWKVPIXXOE-NSHDSACASA-N 434.237 2.000 30 10 IEEE C=CCOC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1I 1852857027 CJSBSSLPVDMKEZ-GJZGRUSLSA-N 428.270 2.272 30 10 IEEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)n1C 1853405266 GMZJOWMHUIQXDV-UHFFFAOYSA-N 438.454 2.123 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590574 LIXBKDVYTAOVSB-FQEVSTJZSA-N 426.444 2.442 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(CC)nn2CC 1864326669 IMTHHUROPHTPKH-LJQANCHMSA-N 439.560 2.403 30 10 IEEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 1869929978 QJRSSRCMDQKTLF-UTKZUKDTSA-N 440.569 2.489 30 10 IEEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1870107760 XHDCVYZEANNZMC-UHFFFAOYSA-N 428.452 2.385 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Cl)ncc3Cl)CC2)CC1 1890975243 PQZGYWGHJYKEAS-UHFFFAOYSA-N 425.360 2.260 30 10 IEEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(Oc2ncccc2C#N)CC1 1891148877 VZSDMVHCYJNBJR-INIZCTEOSA-N 425.514 2.179 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010149450 CAMNDWVLPDYGJG-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE C=C1CC(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)(C(=O)O)C1 2020900795 XADAWDBACZPVMM-JOCHJYFZSA-N 429.517 2.445 30 10 IEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124532020 ICRJYHRXXUWCGZ-GOSISDBHSA-N 448.369 2.184 30 10 IEEE CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124536355 QSLNHZVYZRDORZ-ROUUACIJSA-N 446.353 2.319 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#CCCO 2229101942 SQFBQVVCZIRWTP-INIZCTEOSA-N 425.323 2.387 30 10 IEEE C[C@H](CCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243404726 SVCDGBGSWPHBKY-GFCCVEGCSA-N 425.360 2.475 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401670 MICJKESVUCGWFD-YPMHNXCESA-N 439.343 2.063 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)cs2)OC1(C)C 2249489784 BMUSAQKJXOKOOB-UHFFFAOYSA-N 432.273 2.330 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](CO)C1 2254803144 QXFSUFDCSJQYMO-WBVHZDCISA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255701535 SNTKYFNBDFKFCQ-QGZVFWFLSA-N 431.342 2.414 30 10 IEEE CC1(C)OB(c2occc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2255702521 HNQZHJWSMVCODZ-GOSISDBHSA-N 426.322 2.210 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267146290 JWQHTZYGKFVXSX-HUUCEWRRSA-N 448.373 2.378 30 10 IEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267555193 KUKWUSSOKVQSQI-TYNCELHUSA-N 444.259 2.496 30 10 IEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267589470 AMEXSXVLKPHABH-HOTGVXAUSA-N 443.353 2.366 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOCCN1C(=O)OC(C)(C)C 2267603362 BCEKMYFNJWCHTK-UHFFFAOYSA-N 449.357 2.432 30 10 IEEE CO[C@@H]1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2268649509 DFQOGZJVVGMBFJ-CVEARBPZSA-N 447.341 2.344 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268670751 XSWJXJDNANHEQS-HUUCEWRRSA-N 447.341 2.249 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c1 2282127565 ZMGPMYWYPZFEQH-NRFANRHFSA-N 449.404 2.498 30 10 IEEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@@H]1COC2(COC2)C1 2286290004 OGZYUBISEBMHDQ-ZDUSSCGKSA-N 425.132 2.137 30 10 IEEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2365210366 YOLHJOMGYLXGTA-KNKQGSTJSA-N 436.574 2.001 30 10 IEEE N#CCC(=O)Nc1ccc(CNC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 219656956 XPHACWOTGPANQZ-UHFFFAOYSA-N 449.423 2.140 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 409514331 QKIGUSGTWUTZHR-NVXWUHKLSA-N 436.582 2.444 30 10 IEEE CC(C)(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409514726 RIPJZUZZQJXBEX-FHLIZLRMSA-N 444.960 2.452 30 10 IEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 409516875 JDINLBAUENRPNA-ZDUSSCGKSA-N 426.589 2.447 30 10 IEEE CSCC[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 460272041 UGSWEQYMSKDORW-GBESFXJTSA-N 429.542 2.350 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 482307968 JCJOCPSOEFCTIJ-INIZCTEOSA-N 427.455 2.396 30 10 IEEE COc1cccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)c1 486502331 YNYRMIWOBWXNJC-NZQKXSOJSA-N 447.539 2.493 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cc1F 514492206 HNEVHXPTHNWVHO-OAHLLOKOSA-N 444.528 2.355 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 523305571 FVQOPHPBDFYGTL-UHFFFAOYSA-N 441.509 2.117 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)CC2)cc1 525578901 NWJARFKIJQONSL-IEBWSBKVSA-N 431.464 2.473 30 10 IEEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)Nc2nc3c(cc2C#N)CCC3)c1 550794049 YNHWVNMWIFIMKH-UHFFFAOYSA-N 434.543 2.273 30 10 IEEE Cc1cc(Br)cc2c1CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 567802790 WZBWAPOQJGQBBX-UHFFFAOYSA-N 448.342 2.492 30 10 IEEE Cc1ncc(S(=O)(=O)N2[C@H](C(=O)O)CS[C@@H]2c2ccc(F)cc2F)cc1C#N 569418262 JSECSXSVAIQQBT-JKSUJKDBSA-N 425.438 2.429 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 572767092 ZYTCITVRKCWCLP-QYZOEREBSA-N 431.562 2.227 30 10 IEEE CC1CCN(Cc2csc(NC(=O)CN3CCN(c4cccc(C#N)n4)CC3)n2)CC1 577907237 RKEUVLYRMQNSQH-UHFFFAOYSA-N 439.589 2.402 30 10 IEEE COc1cccc(N2C[C@H](C(=O)NC3CCC(Oc4nccnc4C#N)CC3)CC2=O)c1 585355899 RSGBEMKYAUXKNA-KLHKWILBSA-N 435.484 2.216 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C2CC2)C1 670215967 ZKLAMRFLSKOSAT-LJQANCHMSA-N 431.562 2.387 30 10 IEEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn3ccccc23)c1=O 729670808 KVOTZZJFPLZISV-UHFFFAOYSA-N 444.516 2.362 30 10 IEEE Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706876 RBUJWMRMWTVEGI-FXAWDEMLSA-N 437.544 2.147 30 10 IEEE COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 737197223 AWGUEBNDWYXPNZ-LBPRGKRZSA-N 441.713 2.248 30 10 IEEE COC(=O)[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C#N)cc1 740212746 TXFPPHLHQMLHJK-HXUWFJFHSA-N 430.482 2.253 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)c1 746768088 HTEODNDHYXTKQD-UHFFFAOYSA-N 438.484 2.252 30 10 IEEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 756500184 MVPQQNXEXCXQLG-HNNXBMFYSA-N 427.548 2.151 30 10 IEEE O=S1(=O)N/C(=N/Cc2nc(-c3ccnc(OCC(F)(F)F)c3)no2)c2ccccc21 761695062 RHVFUKXHRVQVOP-UHFFFAOYSA-N 439.375 2.311 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 763015514 UKQZAEDKBZZXEL-UHFFFAOYSA-N 425.872 2.079 30 10 IEEE COc1ccc(S(=O)(=O)N[C@H](C#N)C2CCCCC2)c(NS(=O)(=O)C(F)F)c1 776090008 ZDIISDBGNFVDNA-CQSZACIVSA-N 437.490 2.410 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)n1 788634984 SXSICVJHYWDCQK-UHFFFAOYSA-N 432.488 2.245 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@@H]1CCCO1 794579554 LWXCWZYOCAQZTG-AWEZNQCLSA-N 431.583 2.362 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)n1 805083067 JBVXISLHXXACFJ-UHFFFAOYSA-N 435.399 2.391 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2snnc2C)c1 813562448 YGAOWABXHGQPCW-MRXNPFEDSA-N 446.602 2.355 30 10 IEEE C#CCN(C(=O)Cc1ccc(Br)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1125884391 UAHCXHSFCDKLHP-LBPRGKRZSA-N 449.164 2.403 30 10 IEEE N#Cc1cc(Br)ccc1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1126164129 ANWQRQSKQFQSFM-UHFFFAOYSA-N 436.278 2.315 30 10 IEEE Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C2CCOCC2)n1 1127266693 FPRIRMBJNHFXIX-GOSISDBHSA-N 436.472 2.258 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)n2)c1 1133847410 NJQCFEGDJIAYNN-UHFFFAOYSA-N 428.496 2.376 30 10 IEEE CCOc1ccc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1135843835 CHXJCJAEARNPGZ-UHFFFAOYSA-N 445.516 2.480 30 10 IEEE CCN1CCN(CCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1136660278 JLAYVDCUWMVRCZ-NRFANRHFSA-N 441.576 2.146 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c1 1154816046 BAVHNOZFOXWQBX-UHFFFAOYSA-N 430.473 2.373 30 10 IEEE O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161797119 JCIBVXOIVUWLIQ-FQEVSTJZSA-N 435.480 2.124 30 10 IEEE C#CCOc1ccc(C(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)cc1 1165415540 WVEXFVPIGIALAA-SFHVURJKSA-N 426.513 2.493 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)s1 1178153190 UJXFFFQBDABTON-UKRRQHHQSA-N 443.591 2.127 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ncc(Br)s2)C1 1233852523 LHJGNCJECVEQQL-VHSXEESVSA-N 430.328 2.464 30 10 IEEE C=CCn1cc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)nn1 1252077112 RNASADZWGVCUTB-KBPBESRZSA-N 432.447 2.451 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1264765802 KWYJQHQETVDQKS-UHFFFAOYSA-N 437.525 2.127 30 10 IEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)c1 1264841359 KWUXNKGSVVMWRV-OAQYLSRUSA-N 437.496 2.078 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)CCC 1286285444 MWHORXGGFMKVGY-KRWDZBQOSA-N 431.610 2.428 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1286357396 IYCKXUTWXWVISG-UHFFFAOYSA-N 448.527 2.326 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(C)CCCO2)CC1 1286489171 IGNJPJMSCDFJQP-XMMPIXPASA-N 437.544 2.489 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286706764 UCCAPFQPGJJMHE-KRWDZBQOSA-N 436.520 2.246 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@H]1C 1286750213 UBYXDSJRXDBZBL-GOSISDBHSA-N 444.605 2.375 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1286821472 MHKOZPBPUZZCFL-JOCHJYFZSA-N 432.590 2.484 30 10 IEEE CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1287159529 CFEVLWNUZKLOOK-OALUTQOASA-N 430.578 2.016 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1Cc1ccc(C#N)o1 1288108105 SYHAPFBNNCDIMX-JOCHJYFZSA-N 438.463 2.166 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccncc1Cl 1288841619 RFVVXIJQHZMHEG-FZKQIMNGSA-N 437.957 2.115 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)n1 1290617005 FVAKACBUNZOUNT-WOJBJXKFSA-N 440.596 2.379 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@](C)(O)c1ccccc1 1290864953 FPHZPDZCYPYUIR-GAJHUEQPSA-N 432.532 2.261 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1294841625 FKCJMEACICDVGA-HNNXBMFYSA-N 432.550 2.003 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1300018426 IKEOOQKYOYCAAP-FXAWDEMLSA-N 426.542 2.271 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300321316 KKOKHCJVDILOBM-KYAFNBKBSA-N 448.527 2.458 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1300487132 GWMPALHBLPHHFZ-KRWDZBQOSA-N 427.555 2.385 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCOCC1 1300654488 YKUSAARNQIUKGP-KRWDZBQOSA-N 432.496 2.185 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(CC)nn(C)c1OC 1300655431 XTZIJWKMHFQUIQ-UHFFFAOYSA-N 443.939 2.432 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1N1CCOCC1 1300675385 BADLZHKMTQPBDT-JOCHJYFZSA-N 439.560 2.409 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CCO1 1301898343 DNKUHYFOTJXPGX-MISYRCLQSA-N 426.496 2.296 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NC(C)C 1302248876 YOPOIBIINRUODB-ICSRJNTNSA-N 426.521 2.035 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cc2ccccc2s1 1302822180 GNMIVTNKYKVZJH-CYBMUJFWSA-N 427.507 2.439 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1303360221 MBICRIQUUABRKR-VGOFRKELSA-N 430.553 2.275 30 10 IEEE C#CCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656018 OVAMEYRSXQXOMB-UHFFFAOYSA-N 445.925 2.055 30 10 IEEE Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C2)no1 1304676425 FKJZFUSCHHSPTB-HNNXBMFYSA-N 438.492 2.080 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1306745837 JLQRTBYEWVSASZ-QGZVFWFLSA-N 426.521 2.428 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(=O)c1C#N 1306833315 BHJIRYUGRIUFDQ-GFCCVEGCSA-N 447.264 2.362 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)Cc2cc(C#N)cs2)cc1 1306902799 XEMBLCAWMZFLRH-UHFFFAOYSA-N 448.570 2.039 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)C1 1312468176 BYHNUWYLFFUQDI-BZSNNMDCSA-N 436.553 2.411 30 10 IEEE CCOC[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1314422727 NGPQYKFQOLLARV-YGCDDZCOSA-N 428.537 2.325 30 10 IEEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1314458591 FFGYNOCHPDKECB-NRFANRHFSA-N 429.546 2.258 30 10 IEEE COCCn1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1316109333 NWKLORNDBXDUPP-LJQANCHMSA-N 430.875 2.327 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1316227857 FHKAIULJJRPJMU-AEFFLSMTSA-N 426.521 2.207 30 10 IEEE COCCCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 1351305340 RAKDHXBOCWTZSF-INIZCTEOSA-N 441.532 2.307 30 10 IEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1358079457 GWPSNZCVIRAPER-UHFFFAOYSA-N 425.493 2.433 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)OC)CC1 1358922018 QPINDCUIPCKWOQ-UHFFFAOYSA-N 435.326 2.348 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1358955640 QJCYVRGLHUYWCZ-HNNXBMFYSA-N 439.488 2.073 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358966350 NDTAJUMKMLLXTN-INIZCTEOSA-N 448.618 2.100 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1358966351 NDTAJUMKMLLXTN-MRXNPFEDSA-N 448.618 2.100 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCNC(=O)C(C)C)CC1 1359032933 JDGOGIPLEFKKNG-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359041054 MGAMUBRTPPTYIL-IEBWSBKVSA-N 428.581 2.016 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(S(C)(=O)=O)CCCC1 1359064299 PNPZDIOVVYFLDL-FXAWDEMLSA-N 438.594 2.352 30 10 IEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359135986 VIQXPXCEGLLEMV-IBGZPJMESA-N 441.532 2.305 30 10 IEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1359217265 UJNXDJHRAHFJBB-IRXDYDNUSA-N 448.568 2.254 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1ccccc1 1359331618 DOYCKIXFZAPSNV-AEFFLSMTSA-N 431.562 2.070 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1360473850 BCYHUWWWZOZAIV-MAUKXSAKSA-N 444.609 2.317 30 10 IEEE N#Cc1cccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)c1Br 1360754943 JNEYHYOYELTNPV-UHFFFAOYSA-N 425.246 2.270 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCCS(=O)(=O)CC1 1443643670 HFCCUAPZRZANED-GOSISDBHSA-N 433.530 2.040 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)OC)c1 1455603047 GBYSYDWOYBNBMW-LJQANCHMSA-N 442.493 2.411 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)C(=O)OC 1468874793 DAKBSTHQOBKCDQ-CZUORRHYSA-N 426.922 2.055 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nn1 1470584112 JTNYIHXBEIZYFZ-IBGZPJMESA-N 448.568 2.412 30 10 IEEE C=C(C)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OCC 1471581081 NAITWDZXFRMROX-HNNXBMFYSA-N 432.336 2.378 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]2C[C@H]21 1478420524 YJTWYVSBWMKHLO-GUDVDZBRSA-N 439.516 2.457 30 10 IEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1C 1503248131 FHKSKXVRJSVMHT-VQIMIIECSA-N 431.562 2.360 30 10 IEEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCSCCCO 1504389762 JIDSPQZUVQPOOZ-SFHVURJKSA-N 442.589 2.246 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1507539860 CWOYYAAZZQKVAS-KJXVGZKYSA-N 443.511 2.335 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1OCCC1(C)C 1507603566 CDJLTLWGGWKRSS-INIZCTEOSA-N 430.578 2.431 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507623654 VFMNNZUSVXZXPR-CRAIPNDOSA-N 447.536 2.196 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1507677152 UFAOYUOLURGUGC-UHFFFAOYSA-N 444.532 2.284 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1C[C@H]1C 1507704098 OVRHFKVOBATUOL-NVXWUHKLSA-N 430.578 2.289 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN1CCc2sccc2C1 1507711727 YKSKFXCMJWOVHW-IBGZPJMESA-N 429.590 2.378 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)OC)CC1 1507725849 BNVDDKAVGKXSCN-MRXNPFEDSA-N 448.365 2.410 30 10 IEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507751129 KCEDIBIHQFZBQQ-AVRDEDQJSA-N 441.557 2.119 30 10 IEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1507787106 FETDIAFRDRDNJU-MRXNPFEDSA-N 431.338 2.374 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 1507882160 WTMMEORQABNRHY-NZQKXSOJSA-N 433.597 2.443 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1507937279 RJKSLXZLNHIKEY-UHFFFAOYSA-N 429.569 2.207 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1nnc2n1CCCCC2 1508040310 VZUQYHRJXLHULO-SFHVURJKSA-N 429.569 2.372 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCOCC1 1508079243 PVHDVJXDFZUKBU-UHFFFAOYSA-N 429.521 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC1CCOCC1 1508146611 ZWPWNSLCOSSILK-UHFFFAOYSA-N 436.553 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(F)F)C1 1508148947 ZEZLDOLRUREQRF-PMPSAXMXSA-N 448.536 2.084 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CC)CC1 1516760123 WMKQMLCQDAMFKZ-QFIPXVFZSA-N 437.592 2.460 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)SC)CC1 1516830001 BWLZIWFJJDYCGY-OAHLLOKOSA-N 448.618 2.476 30 10 IEEE Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1527984221 IGBBYWAROYJXJO-DZGCQCFKSA-N 440.422 2.255 30 10 IEEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)c2C#N)C1 1529938172 GLKQLVKIKCUEAJ-HNNXBMFYSA-N 429.546 2.391 30 10 IEEE C#CC[C@H](COC)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1530734522 HWGXDOHQCGPQAP-CYBMUJFWSA-N 431.352 2.294 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 1539124500 GLPWHWVHMDLPHV-SFHVURJKSA-N 435.594 2.185 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1539340118 FZMIKDXUCLFVCV-NRFANRHFSA-N 438.576 2.258 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(O)CCC2)CC1 1539434680 SMKDGBJEMPXERV-UHFFFAOYSA-N 447.381 2.106 30 10 IEEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCn2cc(Br)cn2)CC1 1539446846 KIGVRZSTCMXFOF-UHFFFAOYSA-N 432.370 2.350 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1539463106 SWJJWTMOZQUWMB-KNQAVFIVSA-N 429.952 2.446 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(C)C2CCCC2)CC1 1539476515 ZJNNDGQXDHDDET-UHFFFAOYSA-N 435.576 2.180 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 1539803232 HIWBKFXQHBGTSR-INIZCTEOSA-N 443.957 2.372 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539967830 UXGPCBOBIOZQJT-KSFYIVLOSA-N 430.553 2.343 30 10 IEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)CC1COC(C)(C)OC1 1540033491 JUJNZTBWAPXJKG-UHFFFAOYSA-N 447.536 2.434 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1540868769 QXJBWQZVJAWVDP-DNVCBOLYSA-N 437.479 2.143 30 10 IEEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1540920486 XCERCBWHYVUCRB-IBGZPJMESA-N 445.589 2.344 30 10 IEEE CN1CCN(C(=O)N2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)CC1 1542960700 HPLCSFZGPMMTBW-UHFFFAOYSA-N 433.512 2.476 30 10 IEEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)N1CCCC1 1545992210 GIDOVWLHSADJIQ-RBUKOAKNSA-N 434.610 2.185 30 10 IEEE CCc1nc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cs1 1546376284 QOLLLQFRLJLHKS-UWJYYQICSA-N 446.577 2.309 30 10 IEEE CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1547967936 PHPNIEIBSXFVEZ-ZWKOTPCHSA-N 427.505 2.356 30 10 IEEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CC[C@](C)(C#N)C2)cc1 1557619379 ASCFKUQBXKXMQX-IEBWSBKVSA-N 425.576 2.247 30 10 IEEE Cc1c(Br)cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(=O)n1C 1558465288 BBDASSCDXPZBHN-CQSZACIVSA-N 430.306 2.440 30 10 IEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 1561155068 TWBSMENADFSVSV-IRXDYDNUSA-N 448.404 2.311 30 10 IEEE CCCc1c(C(=O)N2CCN(C(=O)CC#N)CC2)cnn1-c1cc(F)c(OC)cc1F 1566318217 WBURSQQOVKTUCY-UHFFFAOYSA-N 431.443 2.310 30 10 IEEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCCOCC(F)(F)C(F)F 1568605452 OOYDHFFMDFHBOH-LMLFDSFASA-N 448.335 2.005 30 10 IEEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1583967806 LOTFKOATXNJYSI-GOSISDBHSA-N 435.590 2.450 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)CC1 1586429763 BVXBNPMNMCNKEP-ICSRJNTNSA-N 442.516 2.441 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CC4(CCOCC4)CO3)C2)C1 1587520853 UPVWPMKWCMVFAT-POTGORPSSA-N 433.549 2.475 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)N1CCOCC1 1587621813 ZQVROXZEQUNOBY-KRWDZBQOSA-N 434.500 2.307 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1587989701 NINFQFNPLAKMPT-RXVVDRJESA-N 425.533 2.097 30 10 IEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1588069918 UZXUOJGEIVECML-OALUTQOASA-N 446.573 2.136 30 10 IEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 1588420900 TVULYYXKTQUBAB-GOSISDBHSA-N 429.638 2.367 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1593735412 FYJMMSXQHVUJSW-QGZVFWFLSA-N 438.532 2.400 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2ccccc2)CC1 1594784307 WMNMABYVCLHQOG-UHFFFAOYSA-N 427.549 2.497 30 10 IEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1)C1CC1 1595013926 NBTUPDIAWBYZOJ-UHFFFAOYSA-N 440.523 2.167 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)CC1(C#N)CCOCC1)C2 1597809537 DPJMTVXOQHBQGP-ZMPRRUGASA-N 435.521 2.002 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@]3(CO)c3ccccc3)C2=O)cc1 1607673993 LNEIAPPBFWRPLR-HYBUGGRVSA-N 432.480 2.273 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1OCC[C@H]1C 1608572034 SEZHMQVPPRWVRL-YLJYHZDGSA-N 437.548 2.040 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCCO1 1612990583 DVHFQTQXEZFHEI-QZTJIDSGSA-N 428.512 2.314 30 10 IEEE CCc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613965038 YKFVZXZYVAMXNH-QURGRASLSA-N 436.516 2.457 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cc(OC)ccc1OC 1614028012 NJASWBRGTYIWKB-UHFFFAOYSA-N 433.516 2.499 30 10 IEEE Cn1cc(Nc2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1618418018 DEBCAULCOQXIQQ-MRCUWXFGSA-N 432.488 2.067 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCOCCS(C)(=O)=O 1619389898 IUOIMFFPKIIEKE-UHFFFAOYSA-N 447.561 2.145 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1COCCO1 1619900038 QDLCEBZCLRTGKL-RTWAWAEBSA-N 441.532 2.112 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCCS1 1620018795 HPFHUFJDAKMHBS-QRQLOZEOSA-N 434.610 2.464 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ncccc2F)CCO1 1620355488 UYBJMAFEQXJFCF-AWEZNQCLSA-N 429.843 2.335 30 10 IEEE CC(=O)N[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)c1cccc(Br)c1 1625326685 DPYUEYNXNVGTMN-LJQANCHMSA-N 442.317 2.242 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2)C1 1629806627 BVXQISAOXKOZMI-OQXXTQHASA-N 430.549 2.244 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)c3nscc3I)CC2)nc1 1632292250 FCLBFPQTHMURKB-UHFFFAOYSA-N 439.282 2.413 30 10 IEEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1632328428 GJHXWVYXNVYULC-HOTGVXAUSA-N 441.507 2.093 30 10 IEEE COCCN1C[C@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1=O 1645929649 OYPRMXNNKLHEGD-BBBLOLIVSA-N 438.315 2.111 30 10 IEEE Cc1ccc(C(=O)c2ccccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1C 1648790940 ZXRWKDGBDQVDSX-UHFFFAOYSA-N 428.448 2.366 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)C1 1651091034 FZJJSMQHMBUPAS-QGZVFWFLSA-N 427.526 2.444 30 10 IEEE C#CC1(O)CN(C(=O)[C@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 1653281485 OKMUXXJOXKGQIM-SFHVURJKSA-N 442.537 2.102 30 10 IEEE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O 1656831253 BGEDOTGQPNTURT-INIZCTEOSA-N 446.385 2.121 30 10 IEEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 1666413645 UFJVKJCJUIXCAB-GOSISDBHSA-N 448.589 2.357 30 10 IEEE N#C[C@@]12CN(C(=O)N[C@H]3CCc4c3ccc(F)c4Br)C[C@H]1CS(=O)(=O)C2 1682530968 COIMNHOSRKAGGM-NCHVAJSOSA-N 442.310 2.155 30 10 IEEE C=CCn1cc(CNC(=O)N2CCC(C(=O)OCC)(C(=O)c3ccccc3)CC2)nn1 1683483388 YHFDIRWPIXHAQJ-UHFFFAOYSA-N 425.489 2.202 30 10 IEEE C#CCN(C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1685569579 HXRLAZHDSUDGOW-HSZRJFAPSA-N 445.564 2.470 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCOc3cccc(F)c3)CC2)cc1 1685593752 XOFIBMWAWXDASL-UHFFFAOYSA-N 446.504 2.182 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1689861556 XARYNDZBGGUFCR-GSHUGGBRSA-N 443.573 2.456 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CCC 1689951429 WZIAGSDTKVUPBQ-IBGZPJMESA-N 444.605 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1690047286 NCLOVQYYXUDYDT-HSZRJFAPSA-N 446.599 2.457 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1690099826 MVXBZYBLLOPZQX-INIZCTEOSA-N 429.525 2.124 30 10 IEEE C=CCCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1690467843 KHJJVDOVWFASNV-YLJYHZDGSA-N 426.583 2.300 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690663611 BIYONWSJIQMBEX-QGZVFWFLSA-N 428.924 2.102 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1690717571 JWVJVFQXBPLKNN-MAUKXSAKSA-N 449.533 2.458 30 10 IEEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1693663628 IEDHOQRFRJXICG-QFBILLFUSA-N 428.562 2.477 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1696483324 CYTRXYHUMRZDIK-GOSISDBHSA-N 447.561 2.026 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705537628 LZFZXSUDGCYBBQ-NRFANRHFSA-N 436.516 2.381 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1705605433 KXCUKUWOZAHZOT-HSZRJFAPSA-N 426.517 2.483 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1705613182 WZZDSJHFGBWKHT-AZUAARDMSA-N 433.622 2.437 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1705633305 OAXYIOIAKQSODR-OAQYLSRUSA-N 436.560 2.323 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1705834945 WQCHCDSLTSGGLI-HUUCEWRRSA-N 444.602 2.014 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705907214 DSMVNWODARNCAR-FXAWDEMLSA-N 427.549 2.235 30 10 IEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(C)C)CC1 1705998147 UXZHFLPLVPNQDX-UHFFFAOYSA-N 426.521 2.212 30 10 IEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CCO1 1706050484 UZQZJJZXPPMCTM-NSISKUIASA-N 426.496 2.296 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1Cc1ccc(C#N)o1 1706605281 BRLVZAJOKYMBMV-JOCHJYFZSA-N 438.463 2.166 30 10 IEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1708175398 FGXNCXANUYOROT-UTSGNWPNSA-N 438.576 2.381 30 10 IEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1711371295 AXHVJWOGKIKOJF-UHFFFAOYSA-N 433.560 2.431 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)C1 1711445881 HLZIZGXAQWJIBX-UXHICEINSA-N 439.516 2.402 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1F 1712842412 RKFOJUPOUVOSCF-PBHICJAKSA-N 433.509 2.100 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CCC1 1722295749 LONMBDSZTVSTGZ-INZIPBBXSA-N 441.605 2.211 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722454300 BLOQRIDLJCCABX-IBGZPJMESA-N 437.573 2.425 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1722509133 NOKOXAMTWOYOCX-QRVBRYPASA-N 438.594 2.024 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722694595 ATVXYTUMYHADED-OAHLLOKOSA-N 447.465 2.192 30 10 IEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1C(C)(C)C 1722703700 FIMXPKISAKJVBS-UHFFFAOYSA-N 438.576 2.078 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1723785904 KPWPMVKZNCNFJK-ZDWFVDTJSA-N 438.532 2.245 30 10 IEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740582177 LBZUUHSXDRTYNR-QFIPXVFZSA-N 444.557 2.391 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1740589808 BQTOQALPKZNCFD-ZWKOTPCHSA-N 433.553 2.473 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCO[C@H](C)C2)CC1 1740698411 VCSPTXXCNYYHLZ-HXUWFJFHSA-N 442.633 2.187 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccccc1 1740985270 FLHJHGAGCOHPOV-KRWDZBQOSA-N 431.562 2.312 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1741649460 MRPBUAHABQJREG-GOSISDBHSA-N 435.532 2.209 30 10 IEEE CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1741994411 HBOVHTQEQMBRMQ-AVRDEDQJSA-N 443.573 2.381 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)cc1 1742283315 GUYWDGAXTTXXGC-FQEVSTJZSA-N 438.532 2.201 30 10 IEEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cs1 1744494319 HIRTWXVAFLIAAZ-OAHLLOKOSA-N 434.591 2.377 30 10 IEEE CCNC(=O)C1(Cn2c([C@H](C)OCCOC)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1746491362 PHUDVWYZEXMQRR-UWJYYQICSA-N 432.569 2.439 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748811617 JCRSHFIVAYJPIT-INIZCTEOSA-N 443.504 2.096 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1748992005 HGHJQFGDMZQTHY-UHFFFAOYSA-N 438.532 2.333 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749027654 QXQUZSIKQQAQJT-UHFFFAOYSA-N 427.574 2.169 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(CCO)Cc1ccccc1 1749033263 CITQLFBENMGDKG-UHFFFAOYSA-N 439.541 2.371 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749114414 BTUUPAABYLIZLA-FHWLQOOXSA-N 446.596 2.091 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749253262 YQVVVXOHQZCCLI-QWHCGFSZSA-N 439.866 2.259 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749544827 OSPDDWKUEHVLLO-NRFANRHFSA-N 434.537 2.112 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]1CSC 1749671172 ZKWPTLIMEJQJQA-CRAIPNDOSA-N 429.546 2.425 30 10 IEEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749714566 HFCJOUFPOIKWRS-UHFFFAOYSA-N 428.500 2.447 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@H]1CCOC1 1750644211 DLNFHHVVYBWXPI-HXUWFJFHSA-N 439.564 2.438 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC1(C(N)=O)CCOCC1 1760122697 QLNHEIZBFWUTFX-GOSISDBHSA-N 425.533 2.214 30 10 IEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cccs1 1760170802 ASGADWCPPDOLOE-UHFFFAOYSA-N 433.497 2.155 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)OC)CC1 1760266668 IGKVAUWRQBSJOO-KRWDZBQOSA-N 447.543 2.336 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760283480 OKBJQFBBNAOWFQ-UHFFFAOYSA-N 439.651 2.143 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760425665 SLAJPEKAAWNIIP-IBGZPJMESA-N 426.569 2.031 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2)C1CC1 1760471033 KRZGXPPJTUWBOZ-HNNXBMFYSA-N 447.561 2.057 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1760523057 KXRONNFNSDPCKA-FQEVSTJZSA-N 434.548 2.086 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC1CC1 1760689863 FZDKQZODYFBZFN-AWEZNQCLSA-N 432.506 2.274 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1761357572 FSNLXHHDWYKWAW-ZDUSSCGKSA-N 444.446 2.496 30 10 IEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)C 1761396150 IBLWNRMQVSGGLX-LPHOPBHVSA-N 430.578 2.170 30 10 IEEE COc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1768747452 XRQRUFBQRGQSBR-SJORKVTESA-N 447.561 2.254 30 10 IEEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1768759439 JQHDULSKWSXNSW-JTSKRJEESA-N 442.495 2.053 30 10 IEEE COC[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770738987 OODSFSMVVORKEY-HKUYNNGSSA-N 425.537 2.048 30 10 IEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCC2)c1 1771343761 KGTGLEDEPIVKPY-WMZOPIPTSA-N 427.530 2.434 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)CC2)CC1 1849541449 ATEIHUNOKVYRDO-UHFFFAOYSA-N 445.585 2.382 30 10 IEEE COCCN1CCN(Cc2ccc(C(=O)N=c3[nH]nc(-c4cccc(C#N)c4)o3)cc2)CC1 1850611726 ZMUZYVZSLXDTHO-UHFFFAOYSA-N 446.511 2.046 30 10 IEEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)CN1C(=O)c1ccc(F)cc1 1852613431 DNRPEZNZASYIBK-PXAZEXFGSA-N 443.866 2.244 30 10 IEEE Cc1[nH]nc2c1[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2C(=O)[C@@H]1CN2CCN1CC2 1852809602 XZVSSOUWZIXRMW-GHTZIAJQSA-N 446.555 2.235 30 10 IEEE N#CCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1853334999 OAAUSKGECVBVFM-INIZCTEOSA-N 432.468 2.038 30 10 IEEE CC(=O)N1CCC[C@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@@H]2C)C1 1854608988 SAAIBQVVWDSFFX-MAUKXSAKSA-N 430.936 2.337 30 10 IEEE C[C@H]1C(=O)N(C(=O)CCCc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855734526 RAKLBGGBXCHIJU-KRWDZBQOSA-N 425.510 2.329 30 10 IEEE Cc1ccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1C 1856602842 JUQYPDNNJYQIGN-IBGZPJMESA-N 433.530 2.149 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862609257 ILSHPYPIHIRHLO-BUXKBTBVSA-N 440.408 2.325 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866867672 QLKPLQIQZSLNDS-MOPGFXCFSA-N 437.525 2.012 30 10 IEEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN(CCO)CCCC 1870396397 XOZTWABWARRGTF-UHFFFAOYSA-N 427.545 2.324 30 10 IEEE C=CCn1nc(C)c(I)c1C(=O)N1CCN(c2ccccn2)CC1 1871337350 YZHVIEOMIVPWRG-UHFFFAOYSA-N 437.285 2.340 30 10 IEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664743 WGPTZGJCWIOQPD-UHFFFAOYSA-N 431.544 2.388 30 10 IEEE CC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1C 1872797551 NXCNVMDABYPFMZ-KRWDZBQOSA-N 440.525 2.377 30 10 IEEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1O 1874280546 VAQGUAXPGUDTLY-FVUPAENESA-N 433.534 2.073 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccn1C 1874332316 FADOEANUVLQOTP-BFTVFPACSA-N 445.593 2.184 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(N(C)C)cc2)CC1=O 1874341606 OBJORTRFFFCTCP-KOWBDXASSA-N 430.578 2.425 30 10 IEEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc21 1890858823 VIDLDOILQPUIML-INIZCTEOSA-N 435.546 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CCCB2OC(C)(C)C(C)(C)O2)[C@H]2CS(=O)(=O)C[C@@H]21 1999363915 IOJJTMMVFPWWRQ-HOTGVXAUSA-N 444.403 2.187 30 10 IEEE CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C=O)O1 2049382614 RMBAHNFRPVNIHT-GPDLBMGRSA-N 432.488 2.481 30 10 IEEE CN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2049394346 QDPCBCZVBBLOLP-UHFFFAOYSA-N 440.371 2.131 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(N)cccc2Br)[C@H](C#N)C1 2106656126 URVRGNQPYRODAB-LLVKDONJSA-N 445.339 2.165 30 10 IEEE Cc1ncnc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2116145217 KSUMJKIDJMZMQH-UXHICEINSA-N 436.365 2.174 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2141673463 LEZRPTUYJSILHE-UHFFFAOYSA-N 447.341 2.081 30 10 IEEE Cn1c(Br)nnc1CCNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2185234776 DQOGLUOOCUYXME-GFCCVEGCSA-N 443.346 2.214 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@](O)(CNC(=O)OC(C)(C)C)COC 2227476458 YCFLHIUFDXHGIX-APWZRJJASA-N 427.339 2.291 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2249668463 LJYJBZQINBPEJR-OPAMFIHVSA-N 439.553 2.123 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2255672843 MGJDVOIDJGGLJR-RHSMWYFYSA-N 431.342 2.366 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2255696906 AUMGGNBRAFLNKI-OAHLLOKOSA-N 431.342 2.462 30 10 IEEE C[C@@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2255698888 SWIZVLVFTLIWQX-CQSZACIVSA-N 431.342 2.366 30 10 IEEE CC(C)(CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2256070236 VXHIPVLJZMXDIT-UHFFFAOYSA-N 434.346 2.199 30 10 IEEE COCC1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC(NC(=O)OC(C)(C)C)C1 2258961167 PFXHWDPYUROANA-UHFFFAOYSA-N 436.358 2.447 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267003312 NAHZZMHWWLCBKX-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2267007524 XOQRMQOAJNPWEQ-MRXNPFEDSA-N 449.357 2.478 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267012601 WZRXPKIWQKUTBT-GASCZTMLSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2267106925 GYAZQJNKCLVLNA-SFHVURJKSA-N 447.385 2.165 30 10 IEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167212 CMMPEOUEXDOYFB-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2267173780 PGRJVQZODHEPHL-HZPDHXFCSA-N 446.357 2.294 30 10 IEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267494158 PUNHSNJDCGODJG-DEOSSOPVSA-N 440.349 2.288 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267568161 PDJFWSSASZRWKO-MRXNPFEDSA-N 449.357 2.070 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267590109 KKLVGMNYJBCECG-UHFFFAOYSA-N 443.353 2.464 30 10 IEEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)c1 2297741184 XQYXANHVZBFSPN-OAQYLSRUSA-N 437.496 2.234 30 10 IEEE Cn1ncc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1I 2303108384 HLFYJBHLVZDLTQ-SNVBAGLBSA-N 431.083 2.333 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc(Cl)c1 2330748528 YOVOUDRKXMLQKN-UHFFFAOYSA-N 446.920 2.451 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc[nH]1 2330794753 WVSCAOYLMIDCSK-UHFFFAOYSA-N 425.518 2.472 30 10 IEEE Cn1nc(I)cc1[C@@H](O)[C@@H](N)C#Cc1ccccc1Br 2360932561 YTCIHZVUTAVUPO-FZMZJTMJSA-N 446.086 2.200 30 10 IEEE CCc1nnc(CN(C(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)C(C)C)o1 20906739 NCTGXHMMJNRQTR-AWQFTUOYSA-N 444.521 2.431 30 10 IEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(O)cc1 170136514 MIMRRQWHQKVNSV-OAQYLSRUSA-N 437.496 2.361 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 238860076 KMNFDVOBHKBJJL-GOSISDBHSA-N 426.498 2.031 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cc(OC)cc(OC)c3)cc2C1=O 426945935 QWWKYCBOEUAWFE-UHFFFAOYSA-N 437.452 2.197 30 10 IEEE C[C@@H](C#N)NC(=O)c1cc(Br)c(C(=O)N[C@@H](C)C#N)cc1Br 432787160 ZRYZNLPFZAYXHM-YUMQZZPRSA-N 428.084 2.495 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1CCC(C#N)CC1 441686054 JWOIBKRXLPEIRR-JTTJXQCZSA-N 439.965 2.319 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)nc1 446343960 QUNCPYXDSLFRPL-ZCLUNYJNSA-N 428.448 2.282 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCSC[C@@H]1CCO)CCCC2 470213511 ITDOORLWQSLDCM-DLBZAZTESA-N 432.590 2.156 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccon1 480952178 KBRLFUYCQXVFSA-UHFFFAOYSA-N 449.513 2.402 30 10 IEEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 482429771 APAREVARWXPBBS-STXHMFSFSA-N 431.489 2.353 30 10 IEEE COc1cccc([C@@H]2CN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CCO2)c1 484814272 OUFWMVGBZGTSKY-IBGZPJMESA-N 429.498 2.019 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1 487099047 TYIWKEYRHLZZPQ-KKSFZXQISA-N 429.484 2.300 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 505645483 LMNKHURROJIKAW-UHFFFAOYSA-N 428.577 2.487 30 10 IEEE CCOC(=O)c1[nH]c(CN2CCN(c3ncccc3C#N)CC2)c(C(=O)OCC)c1C 514320278 CXAGSALKGDINJV-UHFFFAOYSA-N 425.489 2.265 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(F)c2F)c1=O 517393523 NUHASOXFMVALAN-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1Cl 541665904 SVEQASDHFNABEE-AZUAARDMSA-N 438.915 2.477 30 10 IEEE C=CCOc1ccccc1CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 544927378 FALCDODGAUJFPK-MRXNPFEDSA-N 430.482 2.167 30 10 IEEE Cc1ccccc1CN1CCCN(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 546920620 DGPPBTCNKNCFCF-UHFFFAOYSA-N 432.572 2.118 30 10 IEEE Cc1noc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)CC2)n1 549460239 WPSPZNCRLRDNFA-UHFFFAOYSA-N 436.520 2.398 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCc3ccccc32)n1C 554905528 MEXQKAABJBYZJO-QGZVFWFLSA-N 429.532 2.145 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCOC3)CC2)c1 555448990 FKBFZSZYMSSMMP-GHTZIAJQSA-N 439.516 2.322 30 10 IEEE Cc1ccc(C(=O)NC2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)s1 586860605 LLKYSEUIYKYDHW-UHFFFAOYSA-N 428.489 2.105 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)CC1 604193966 MLCAABDYIYJVIU-UHFFFAOYSA-N 434.968 2.018 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccs2)cn1 730144279 IYAUBQOAKINVAM-MRXNPFEDSA-N 434.591 2.164 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1-c1ccc(OC(F)F)cc1 731288226 NZJYOVVVLFKGPO-UHFFFAOYSA-N 447.423 2.309 30 10 IEEE CNS(=O)(=O)CCCOC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 735960839 OTEZEQLLJVITTA-UHFFFAOYSA-N 447.538 2.385 30 10 IEEE CCc1ccc(CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 737935156 SDVBQQQSCQXIHM-UHFFFAOYSA-N 446.598 2.084 30 10 IEEE COC(=O)[C@@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)c1ccc(C#N)cc1 740237274 TYROKHHCRKXROB-AABGKKOBSA-N 438.436 2.088 30 10 IEEE COC(=O)[C@H](OC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1ccc(C#N)cc1 740244935 GCSCMXWMENGJLW-FXAWDEMLSA-N 436.420 2.140 30 10 IEEE CC(C)CN1CCO[C@H](CNC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 749778753 LYCRUSYWPITACG-LJQANCHMSA-N 447.536 2.019 30 10 IEEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)Cc2cccc(C#N)c2)CC1 750429458 DHXVRPXBDGSBFM-UHFFFAOYSA-N 448.523 2.044 30 10 IEEE Cc1cc(C)cc(OCc2noc(COC(=O)CCN/C(O)=C3/N=CC=CC3=O)n2)c1 754258221 DGUZUJCGNUMFEG-MRCUWXFGSA-N 426.429 2.225 30 10 IEEE C#CCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 758631548 VSSGXXQHYNXAHE-UHFFFAOYSA-N 429.336 2.003 30 10 IEEE N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 774320014 KCDGRGUJZYGNQC-IERDGZPVSA-N 439.418 2.418 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(=NOCc3nnc(C4CCC4)n3C)CC2)cc1 782946064 ZTRLXHYNHPHCMI-UHFFFAOYSA-N 433.534 2.449 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2occc2CN2C(=O)Cc3ccccc32)n1 790108718 BYYVREZANUGVFD-UHFFFAOYSA-N 432.480 2.487 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 793434205 BEZOIEAIBUVRLU-UHFFFAOYSA-N 430.705 2.139 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCSC1 794441007 MUEZUGXMYASXDM-RHSMWYFYSA-N 436.603 2.200 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Br)cn3)cc2C1=O 800716504 GFPJWAWEWVZWSO-UHFFFAOYSA-N 444.241 2.422 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cc1 802964299 GEPCPDYFYNPJLQ-UHFFFAOYSA-N 442.516 2.449 30 10 IEEE C=CC[C@@]1(C(=O)N2CCC(CNS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 804328439 JDZMAOVIETYOMA-FQEVSTJZSA-N 429.583 2.120 30 10 IEEE C[C@@H]1CN(Cc2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2)C[C@@H](C)O1 805843669 PUHDMNBNKASXDJ-IAGOWNOFSA-N 427.526 2.427 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@](C)(CO)c2cccc(O)c2)c1 808820156 VVKIIYAAJAEDOX-AZJLSSPBSA-N 446.529 2.234 30 10 IEEE C#C[C@@H](NC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(Cl)cc1 811962920 CRMMEWKPIZOFQH-FZKQIMNGSA-N 448.932 2.249 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812291483 BSNFWWYFPSBODF-IRXDYDNUSA-N 439.541 2.232 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1ccc(F)cc1 812933429 CFVABYLJEQFHQS-GOSISDBHSA-N 437.443 2.494 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 813710372 GGVHBXFLARDRRK-RXVVDRJESA-N 448.516 2.477 30 10 IEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 1083996774 VRAKUVSXHJDQJL-UHFFFAOYSA-N 448.940 2.441 30 10 IEEE C[C@@H](C#N)NC(=O)Cc1cc(I)cc(I)c1 1128095484 NWHJDSIQEMVBSW-ZETCQYMHSA-N 440.022 2.467 30 10 IEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1136176608 COLAWQBQQLCQMX-HXUWFJFHSA-N 432.590 2.412 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCCNC(=O)c3cccc(O)c3)CC2=O)cc1Cl 1137471750 ZERSQJYWPXMLEI-MRXNPFEDSA-N 440.887 2.206 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 1137593200 OFEYBZZRWQOFTG-NJYVYQBISA-N 429.561 2.292 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3c(nc2O)CCC[C@H]3O)cc1 1141821216 MRIYWDYDXUQFHB-LTXLMFNASA-N 444.513 2.222 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1)c1cc[nH]n1 1143186832 UOBDCALMMPYYNH-UHFFFAOYSA-N 425.323 2.492 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 1162003438 SOLZHKUSESDOCO-NVXWUHKLSA-N 435.546 2.021 30 10 IEEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCCc2cccc(Cl)c2Cl)c1=O 1189391425 DEBITWCFTOMCPV-UHFFFAOYSA-N 449.338 2.218 30 10 IEEE C=C1CCC(CNC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1 1248540323 QFRSZMXCIKCGPY-UHFFFAOYSA-N 434.562 2.441 30 10 IEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1255412958 JPPIGYRUPQJFHF-GDBMZVCRSA-N 427.496 2.260 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1286296930 STRGNRSYOBMGCY-KXBFYZLASA-N 430.530 2.073 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1286392452 MEWHHWMBMGNMRW-LJQANCHMSA-N 449.536 2.203 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1286394058 UBTWFGIEXSULTR-IBGZPJMESA-N 428.558 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1286413134 QJQILUNITKJGAF-LJQANCHMSA-N 435.553 2.390 30 10 IEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1)c1ccccc1 1286678510 YNWZBMQASLICJA-LJQANCHMSA-N 427.574 2.443 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 1286779717 MHIIYYRTKVLTQL-UHFFFAOYSA-N 446.353 2.478 30 10 IEEE CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1286969934 SNVVPEMRBSWSJX-MOPGFXCFSA-N 436.626 2.288 30 10 IEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCO[C@@H]1C 1287216718 HRVVLRWPZUNDLB-OPAMFIHVSA-N 428.512 2.279 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1287911087 FGYXMYJGLFTQCL-LJQANCHMSA-N 430.578 2.170 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1288525881 RDDNYWRMTWXZRY-DOTOQJQBSA-N 444.540 2.107 30 10 IEEE C=CC[C@@]1(C(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)CCCN1C(=O)OC(C)(C)C 1295119965 VRZNBCJHCJXJQU-UTKZUKDTSA-N 437.541 2.022 30 10 IEEE CCn1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)c1=O 1295950368 HMFQKNRPCNJTCX-HNNXBMFYSA-N 439.545 2.238 30 10 IEEE CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1298364185 UVDMVAPSVIHPGO-XDOYNYLZSA-N 447.499 2.152 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300450937 ZODHKIGKGDQUMM-UHFFFAOYSA-N 436.516 2.278 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1C 1300535189 ITYLMSHWDDWBQI-UHFFFAOYSA-N 426.528 2.277 30 10 IEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300596534 XLHLRMYRTNZZNA-QFIPXVFZSA-N 434.588 2.488 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccccc2C)CC1 1300685924 VCIFYEHDTKEQRP-XMMPIXPASA-N 439.560 2.073 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1300721911 CRNCVXIGKCTVSA-RTBURBONSA-N 436.560 2.429 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(OC)C1 1300761854 NAUGPUWYOHPYCC-UHFFFAOYSA-N 427.578 2.044 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1300806631 ZVQOEQQQVAPGDX-OXJNMPFZSA-N 431.587 2.338 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300883668 DHOGEHHYPUTPMG-CUWPLCDZSA-N 430.597 2.173 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1300905774 VPYRSTOVYPAARZ-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 1301064075 OSJIHEBGINETOU-UHFFFAOYSA-N 430.940 2.496 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1301349091 DUKRVIZQNZTEJL-UHFFFAOYSA-N 443.523 2.387 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCCC1 1301421467 WKCBKFDJEQXXIJ-UHFFFAOYSA-N 427.505 2.358 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCOC1 1301493475 ZYVDOLUKMSMYCK-ZDUSSCGKSA-N 438.301 2.374 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccccc1F 1302095230 UBAPZAQIBQUPOF-LPHOPBHVSA-N 428.512 2.366 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)NC1CC1 1302954687 QFOZPEKGMDLSFW-UHFFFAOYSA-N 436.564 2.129 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1)[C@H]1CCCO1 1310988283 YIEKKNKTGBUWHT-RHSMWYFYSA-N 435.322 2.030 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1316188794 KMEJMOYEFNCXBR-AOMKIAJQSA-N 426.521 2.279 30 10 IEEE CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1356418420 BQFKRAPHHXWARV-HNNXBMFYSA-N 431.901 2.284 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCCc1ccccc1 1358973003 BCMKGRHHUKZJPA-UHFFFAOYSA-N 432.915 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O 1358995391 PGYRKSTVAXIWRI-IBGZPJMESA-N 428.533 2.438 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1359033689 MKMMNOJLFJZHBI-UHFFFAOYSA-N 439.564 2.352 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1359044332 CJYBUHIKQNVPHU-FQEVSTJZSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359051418 VYTLDHIELMGUFL-ROUUACIJSA-N 440.529 2.467 30 10 IEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1359060633 CAXQDKFMGLYWSX-UHFFFAOYSA-N 431.537 2.325 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1359111486 CPWYHFMZUIEJAR-HNNXBMFYSA-N 427.496 2.463 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1359139285 QATXXVDPBJKWDO-FQEVSTJZSA-N 425.533 2.181 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)CC 1359232716 CAGYXDJHEDADLM-UHFFFAOYSA-N 428.356 2.269 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1359260697 LUGDXCNZGXURKI-LJQANCHMSA-N 443.523 2.493 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccnc1N1CCOCC1 1359280605 XTIVCRYLMLLDJV-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359304621 DBHVEJPCAHLGIJ-DNVCBOLYSA-N 429.496 2.302 30 10 IEEE C#CC[C@]1(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1460323598 XOMDOXSNHCSEQP-OPAMFIHVSA-N 432.542 2.467 30 10 IEEE C=CCCSCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1470734041 MTMKQAQTMYFYDA-UHFFFAOYSA-N 442.563 2.139 30 10 IEEE C[C@H]1CN(c2ccc(Cn3c(-c4cnn(C)c4)nnc3N(C)[C@@H](C)CC#N)cn2)CCO1 1494126635 CCADMHXQPRZDKP-IRXDYDNUSA-N 435.536 2.085 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)C1 1505124526 VWVFDCNSUCOJDK-LJQANCHMSA-N 429.546 2.257 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCOC3)n2CCOCC(F)F)CC1 1505319617 DCFZNSSSNZBYHV-KRWDZBQOSA-N 432.475 2.262 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)CCO1 1505322083 IEZMUJPMTMZONH-GOSISDBHSA-N 428.924 2.310 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1507609600 BJNSZIYTGPMWMO-LBPRGKRZSA-N 441.326 2.351 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507651138 DGSGOWHICZPEJW-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](C)N1CCCCC1 1507710928 WZOHQPDWWYHUAJ-GOSISDBHSA-N 442.564 2.356 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1507713363 HJUFNGRFEDNWLT-NQIIRXRSSA-N 427.597 2.346 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnc3n2CCC3)cc1C 1510927131 GWIIYSAKYZKBHP-CQSZACIVSA-N 433.520 2.329 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)cn1 1515762727 DPNXRQNPYGZVJN-UHFFFAOYSA-N 430.520 2.431 30 10 IEEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1519196234 KLOYPGHZTPJCNN-VQTJNVASSA-N 438.532 2.133 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSCc2ccccc2)CCO1 1521120952 DNZAWSDOXSHMPD-GOSISDBHSA-N 426.546 2.176 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSCc2ccccc2)CCO1 1521120953 DNZAWSDOXSHMPD-SFHVURJKSA-N 426.546 2.176 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)CCO1 1521120958 DOVBZZYBPDQKMH-AEFFLSMTSA-N 444.923 2.017 30 10 IEEE CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1529574417 SYFFSEYVWYSUQI-JPYJTQIMSA-N 440.500 2.344 30 10 IEEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1535417039 FJSRGOWCFQHMPU-UHFFFAOYSA-N 449.573 2.300 30 10 IEEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CCOCC1 1537957853 UMVJJIBSQDAACI-UHFFFAOYSA-N 429.336 2.002 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCOC[C@@H]2C)n1 1539424137 LXTUUFMGLPDAOQ-PZJWPPBQSA-N 449.559 2.495 30 10 IEEE C=CCCCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1539983510 YNUMPFOMQPXLDC-UHFFFAOYSA-N 426.569 2.321 30 10 IEEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1540174876 SBCUEQPFKWJVKU-QFIPXVFZSA-N 441.557 2.009 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1540189131 JIBRBQHOGPVBKT-KRWDZBQOSA-N 436.520 2.023 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C2COC2)nn1 1541105517 KDXRKUYBWJWIFM-GJZGRUSLSA-N 440.483 2.364 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ccoc1 1541950585 KEAWCBNYVUXVAA-LZQZEXGQSA-N 440.529 2.273 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccnc3N3CCN(C)CC3)n[nH]2)c1C 1542471261 OVFYDJUUAXTLQR-UHFFFAOYSA-N 434.548 2.153 30 10 IEEE Cc1cnn([C@@H]2CCCN(c3nnc(C(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)c1 1542819685 RFFYGBMCHVXMKM-RWNPKEDZSA-N 438.536 2.274 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC[C@H]3CCOC3)CC2)c1C#N 1543001463 QVAIGOMYBCTRNY-KRWDZBQOSA-N 426.569 2.242 30 10 IEEE C[C@@H]1Cn2nc(C(=O)NCCNc3ccc(C#N)cn3)cc2CN1C(=O)OC(C)(C)C 1543450255 SLLMWJJRKXKOOV-CQSZACIVSA-N 425.493 2.131 30 10 IEEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN(C)CCOC 1545461165 PPLJQPYREVCOKG-INIZCTEOSA-N 427.553 2.295 30 10 IEEE CCc1ccccc1NC(=O)CN1CCN(c2nnc(C)n2Cc2ccc(C#N)o2)CC1 1546275465 PJURZMIFNRHCMQ-UHFFFAOYSA-N 433.516 2.423 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccc(Br)cn1 1570136601 FIRCPKVTSOIESD-HNNXBMFYSA-N 449.330 2.246 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1586763589 IURSNHHYIUKMTQ-UHFFFAOYSA-N 440.500 2.327 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1587620913 MUAIHZANKMODHY-CMKODMSKSA-N 442.589 2.311 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1587661959 KBIPVJKYTIDRBA-OFNKIYASSA-N 447.587 2.499 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588059335 LZRWXUBLEXLAKA-HXUWFJFHSA-N 443.573 2.110 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCC1(O)CCOCC1 1588480709 BMKNKQUBPNWANQ-UHFFFAOYSA-N 436.491 2.446 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCn2ccnc2C)CC1 1588914116 XDARFYBIKASCBL-UHFFFAOYSA-N 447.543 2.125 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccon1 1589068655 CJVGKBNDJUTOMF-UHFFFAOYSA-N 438.561 2.443 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2cccnn2)CC1 1589097616 TXNGTNGBDZZUDD-UHFFFAOYSA-N 425.587 2.413 30 10 IEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1595171335 UOMFZKBEMDAWKA-GOSISDBHSA-N 425.537 2.093 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1595219156 QUNOKIGGUMUSIX-QGZVFWFLSA-N 444.540 2.057 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CCC3)[C@H]3CCOC3)CC2)cc1 1595531348 LFWFSFFPFGEPRO-FPOVZHCZSA-N 431.558 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1595784881 MDGNXEXGCJSLTJ-QGZVFWFLSA-N 433.553 2.360 30 10 IEEE Cc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612612205 SJHOQAXAMFKOOQ-NQKFGRBQSA-N 442.907 2.344 30 10 IEEE CCNC(=O)C(C)(C)Cn1c([C@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615902586 BHHXUUCAQYJZRA-CQSZACIVSA-N 425.537 2.489 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1619589682 HVOFHKWVTUACJR-QFBILLFUSA-N 436.520 2.481 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)ccc1F 1624728382 GFUMWFDSPXMJIV-STQMWFEESA-N 429.514 2.322 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3-n3cccn3)CC2)cc1 1625120981 AJCHSBGSHFDBQQ-UHFFFAOYSA-N 439.472 2.030 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCC(=O)N2CCc3ccccc32)s1 1627269155 NSFWVIDFZBYTLF-UHFFFAOYSA-N 447.582 2.241 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)CC1 1630039549 YFOUWGILDHSHRZ-SJLPKXTDSA-N 434.558 2.153 30 10 IEEE CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N(C)C)cc1 1634109340 ZHXAWOOEIYRBPT-HOJAQTOUSA-N 444.580 2.414 30 10 IEEE O=C1CCc2cc(C(=O)CCC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)ccc2N1 1639054586 RVRMVBHAGRPVSX-UHFFFAOYSA-N 449.463 2.438 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)O1 1648155573 LZFBDPAXNBKQGF-XXBNENTESA-N 440.569 2.092 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1648779045 FDFYCHARLSGGOQ-ZBTAVZRMSA-N 449.935 2.091 30 10 IEEE N#CC1(C[C@@H](O)CN2CCN(C(=O)c3ccccc3I)CC2)CC1 1653193323 DKGDMEYHPNYWQA-CQSZACIVSA-N 439.297 2.104 30 10 IEEE O=C(CN[C@H]1CS(=O)(=O)Cc2ccccc21)NCC#Cc1cccc(C(F)(F)F)c1 1659529459 SUGOCKVRWGGFGS-IBGZPJMESA-N 436.455 2.432 30 10 IEEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 1665578580 CQCXQDOZTCNEGM-GOSISDBHSA-N 448.589 2.357 30 10 IEEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OC 1671561632 OTUVXWAKJBYRQS-ZDUSSCGKSA-N 434.308 2.412 30 10 IEEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1684684665 IDWLTRBPPOHZGK-FGZHOGPDSA-N 435.528 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1OC 1689833333 ICBGMXYRCGPRCW-TWOQFEAHSA-N 444.532 2.480 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCN1CCN(C(C)=O)CC1 1689843570 XXPUYPRJWNEHBV-SFHVURJKSA-N 431.544 2.115 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689986229 LGAVOOFSQCLFHI-SFHVURJKSA-N 439.541 2.151 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCC(C)(C)COC)CC1 1690146085 FNSRLDUOGXYFGZ-IBGZPJMESA-N 431.581 2.201 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(CC)C1 1690236121 INGBUYVZLRBGFU-PFRQMTDMSA-N 425.599 2.496 30 10 IEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1)c1ccccc1 1690442667 YHRJVFRLYQKEQM-YLJYHZDGSA-N 447.605 2.457 30 10 IEEE C=CCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1690495688 FJDQKMYKVFQCKI-QFIPXVFZSA-N 443.552 2.022 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1690596984 GMLBSFNVAJMCBQ-LJQANCHMSA-N 449.552 2.285 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC[C@@H]1C 1690665773 OZILNBJFRLPXBZ-INIZCTEOSA-N 429.521 2.270 30 10 IEEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)cc1 1694499825 HFDSUUVSDWBIJP-UHFFFAOYSA-N 431.562 2.309 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H](OC)C(F)(F)F 1694740745 ZYFILUZVCPZEHX-UKRRQHHQSA-N 438.458 2.185 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1695583556 GXQNFMJEGCQRIV-GOSISDBHSA-N 441.492 2.231 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1695583557 GXQNFMJEGCQRIV-SFHVURJKSA-N 441.492 2.231 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CSCCS1 1698245164 ARFKRLNGHUDVJA-KRXQYRFLSA-N 427.571 2.293 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)C1CCCCC1 1698253684 BQDOQCBATKZBFS-ZBPHCFQXSA-N 433.553 2.062 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1705515213 XBHOSXQZJPBKQC-UHFFFAOYSA-N 435.532 2.051 30 10 IEEE C#CCCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705522249 ZCMNVSDTFNTOAK-AUSIDOKSSA-N 444.580 2.163 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705563644 BNTUAVYYRBFGOJ-QZTJIDSGSA-N 444.557 2.007 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705569014 CAUYCVYONKDTOM-IBGZPJMESA-N 447.630 2.041 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1705569862 KRHCMQDGGCNLGW-FQEVSTJZSA-N 442.585 2.117 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1705735226 LZKMOZIEPLUAGU-PMACEKPBSA-N 425.533 2.270 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1705747086 DVPVDBINQJRKJD-LLVKDONJSA-N 431.896 2.482 30 10 IEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1705832114 NINNNPLCCQJLSL-UHFFFAOYSA-N 433.484 2.477 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705884434 OUIJEAGRZKISRN-SJORKVTESA-N 447.502 2.422 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705899086 HUEJDRQLIMRBDW-HSZRJFAPSA-N 435.532 2.041 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1711444952 YBJQMTDVDXJLJT-GOSISDBHSA-N 436.516 2.121 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C1CC1 1722279774 QQFGVHFCTFKENA-LHSJRXKWSA-N 430.578 2.166 30 10 IEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccco1 1722342835 ZNRFDCOBCVMDDW-NRFANRHFSA-N 427.892 2.432 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722374386 YFBLFKPAPPVLDC-RCCFBDPRSA-N 449.621 2.191 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1722432769 DLLCFAZYEUOUPY-UHFFFAOYSA-N 445.571 2.329 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccc(F)cc1 1722467341 RFDBSBBQXFJSEP-IIBYNOLFSA-N 449.552 2.489 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 1722504695 OPFQJBOBFDJYNE-FTRWYGJKSA-N 429.496 2.289 30 10 IEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1722560550 CPPHCTHDIGAASB-MRXNPFEDSA-N 427.505 2.406 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722628276 VQRCMGUERCGFJU-RTWAWAEBSA-N 432.613 2.329 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1722658320 WBQSFQPUMZFVHE-MOPGFXCFSA-N 443.573 2.247 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@H]1OC 1722676965 PWVABLJWOVYAEG-NZSAHSFTSA-N 429.521 2.109 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC(C)C)CC1 1722696627 QXFAKTWIQGOSJQ-UHFFFAOYSA-N 446.983 2.448 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC2CC2)C1 1722712384 RCNPXWRSSZQZQQ-SFHVURJKSA-N 431.562 2.255 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1723716297 WECMQXABPGHZKX-KRWDZBQOSA-N 426.521 2.211 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1728645091 DDEPJTQYPXFKMX-HNNXBMFYSA-N 426.521 2.474 30 10 IEEE CCOCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1729174794 QJCONCAGVMRHIB-AZUAARDMSA-N 428.512 2.418 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1729637476 HTRYIUIAMSVTPU-CYFREDJKSA-N 449.559 2.038 30 10 IEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)c(OC)c1 1730073734 RWGPCOBHAAAXMV-RTWAWAEBSA-N 431.468 2.210 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1740622986 MHCIOMGAGVJLBH-LJQANCHMSA-N 430.578 2.227 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740623417 SWLHIIKNINHZRL-NRJQMVOHSA-N 445.589 2.072 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC1(OCCOC)CCOCC1 1740656713 RFGKWDQXAVBARC-HXUWFJFHSA-N 430.549 2.195 30 10 IEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS(=O)(=O)CC1 1740710797 DEQKVPRJBDAKKD-UHFFFAOYSA-N 441.582 2.403 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740712523 KWZUHJLWUVMGPD-FQEVSTJZSA-N 436.585 2.342 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740722968 HZOHFYLXMJTUJU-OPAMFIHVSA-N 430.553 2.419 30 10 IEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)CC1 1740876900 XKQFOFCOLVCPPE-UHFFFAOYSA-N 440.552 2.307 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740884025 NBKJTETZYUJGOY-UHFFFAOYSA-N 425.493 2.026 30 10 IEEE Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1742883071 UNXHFOUAZTYUGB-UHFFFAOYSA-N 428.518 2.341 30 10 IEEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCO1 1742950861 FKBAOJAQUVEMHP-HHXXYDBFSA-N 429.546 2.255 30 10 IEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1746148203 CKKIWNYQJDJOBQ-HYBUGGRVSA-N 437.592 2.051 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(C)C)cc1 1748639564 JIULIRFCOMPGGL-IRXDYDNUSA-N 433.578 2.429 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@@](C)=O)cc1 1748785352 TVRLVCNLNHJJEL-SSEXGKCCSA-N 425.514 2.002 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1COc2ccccc2O1 1748969725 YARAXVXDBBZSQJ-IBGZPJMESA-N 436.516 2.066 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCSC2)CC1 1748994969 UXRJJOWWBCJYHF-QGZVFWFLSA-N 444.630 2.168 30 10 IEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1749026064 CDCNPQADFWZDGE-INIZCTEOSA-N 438.561 2.291 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1NC(=O)NC1=O 1749473647 MCPMUQGBZBMFAI-JTQLQIEISA-N 439.339 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749665929 DBCJVLNKFWEMNM-CVEARBPZSA-N 445.593 2.023 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1749730503 GNXTZNSMPBZJEH-ZWKOTPCHSA-N 448.593 2.063 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1749990567 RNQKBZUWOSICJU-SFHVURJKSA-N 440.548 2.115 30 10 IEEE CC(C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1750657402 ZOUGTVVXNLUTNU-MBUFOBGISA-N 432.435 2.448 30 10 IEEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)o1 1751487093 BYDLYTSGKWECKQ-OXJNMPFZSA-N 432.550 2.258 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1760187456 VZFZZKFSKRYVIG-KRWDZBQOSA-N 446.573 2.256 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)Nc1c(C)cccc1C 1760207097 XQABOYGNRVWIME-UHFFFAOYSA-N 429.528 2.468 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760351118 CMZQILBLXNXGNE-QZTJIDSGSA-N 425.537 2.191 30 10 IEEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1760464967 SUCNWWRPLHTGNJ-HXUWFJFHSA-N 426.565 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760552786 APZLKWRQJJYDGD-QFIPXVFZSA-N 446.573 2.320 30 10 IEEE CCOc1ccccc1CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1766059627 CLQUKHARAANGIG-QFIPXVFZSA-N 426.496 2.484 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1 1766646900 CKEVRILROLSENY-KRWDZBQOSA-N 441.561 2.281 30 10 IEEE COCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769193957 IVGAICKUNQHWMI-SJLPKXTDSA-N 440.552 2.179 30 10 IEEE COc1ccc(-c2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1OC 1769978274 OURNHUYUVSREDE-VZCXRCSSSA-N 438.488 2.087 30 10 IEEE CS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1770324995 OVQZACVXEWDLLD-SFHVURJKSA-N 429.477 2.144 30 10 IEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1770447004 WGWQCVSWJNUHRR-JOCHJYFZSA-N 438.463 2.229 30 10 IEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1770559799 GWAISLVMKWRHFM-UHFFFAOYSA-N 440.529 2.140 30 10 IEEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCCO)CC2)o1 1771533169 BJKQUURBQIABQD-UHFFFAOYSA-N 435.488 2.427 30 10 IEEE N#Cc1ccc(NC(=O)CN2CC[C@@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 1848450722 ISUQTVKKOUQOFZ-QFIPXVFZSA-N 437.887 2.347 30 10 IEEE COc1ccc(N2C[C@@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1Cl 1852450686 HYEGXBRRUCCTRT-GOEBONIOSA-N 442.859 2.332 30 10 IEEE CCOc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)CCc2ccc(C#N)cc2)CO1 1855466907 JLVONONNDKXOKZ-SFHVURJKSA-N 430.482 2.437 30 10 IEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(CC)cc2)cc1 1858974310 VSCXBDQSKYKVGQ-UHFFFAOYSA-N 445.541 2.161 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)cc2O)nc1C 1859644594 UDURVCGPCGMOGC-UHFFFAOYSA-N 442.453 2.307 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862754512 MRRWQAKAFQCFAF-PIGZYNQJSA-N 427.369 2.462 30 10 IEEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866867673 QLKPLQIQZSLNDS-OALUTQOASA-N 437.525 2.012 30 10 IEEE CCOc1cc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 1874341248 FREXDGXJNUHFFN-BFTVFPACSA-N 447.561 2.463 30 10 IEEE CC(=O)NCc1nnc(SCCO)n1/N=C/c1cccc(OCc2ccccc2)c1 1874435935 FDBRRUVBRWKISY-YDZHTSKRSA-N 425.514 2.460 30 10 IEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 1890394188 IMDNJWUNNWJAJH-UHFFFAOYSA-N 428.496 2.299 30 10 IEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 1890945305 JLYFTWZLRGAGLY-ZDUSSCGKSA-N 434.543 2.042 30 10 IEEE C=CCC1(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2014231514 NOUZFRMFPWOVBV-JKSUJKDBSA-N 439.553 2.286 30 10 IEEE CC(C)(C#CC(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023912846 OENDYIBGMUMCAR-JOCHJYFZSA-N 439.553 2.171 30 10 IEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2063955348 ZMGPKXHNGRHCPQ-QHAWAJNXSA-N 442.560 2.495 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212241054 WCPXXHITHMZFIO-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2215641441 FFPNPVXVUDWJIC-LBPRGKRZSA-N 448.305 2.463 30 10 IEEE Cc1cnc(NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224124472 NFVJSBUZELEKAO-UHFFFAOYSA-N 433.314 2.175 30 10 IEEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2243411795 AGMQNRFCWBJJHV-LBPRGKRZSA-N 446.400 2.239 30 10 IEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)s2)OC1(C)C 2247927056 BJNQSRIPNGYDGV-WDEREUQCSA-N 430.257 2.035 30 10 IEEE C=C(CS(=O)(=O)NC[C@]1(F)C[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962289 MJJJSHMYQABNCH-QUWSVYMGSA-N 448.366 2.489 30 10 IEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619861 SVNNXQRZBOYSCT-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE Cc1ccnc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255821057 DDNYMRLHDPXSAX-CABCVRRESA-N 431.342 2.475 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825608 CFODYTIWEHLYDY-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC1(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255827230 HQBDHJFAXNLEQF-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2255844430 WVDPUDVFBVAOBF-CYBMUJFWSA-N 448.354 2.027 30 10 IEEE CC(C)(C)OC(=O)N1CC(C2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CC2)C1 2255854938 IVBIDRODYNIQTC-UHFFFAOYSA-N 431.342 2.443 30 10 IEEE C[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2255878872 GRKCQJRJFHYAST-YOEHRIQHSA-N 431.342 2.366 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2256936925 CKKTWTRWCAVSFJ-DYVFJYSZSA-N 446.334 2.231 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 2267146466 KRVXJHIDPZMQDF-GDBMZVCRSA-N 448.373 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267273673 QALKSRKOKWATIL-UHFFFAOYSA-N 446.353 2.088 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2267502503 OSCDYICARFCSCS-JOCHJYFZSA-N 448.373 2.096 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267515444 OOLUINGJJFUXMA-GOEBONIOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267701162 WFUAPGYIECLYHX-PSLXWICFSA-N 444.337 2.431 30 10 IEEE CC(C)(C)OC(=O)NC1CC(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873961 VEANYVLDKPKXHY-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268630047 FPUBFWQMGAUQDI-HZPDHXFCSA-N 447.341 2.201 30 10 IEEE CC(C)(C)OC(=O)NC1(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)COC1 2268710811 JPXWTUGHVHGQQW-UHFFFAOYSA-N 444.337 2.122 30 10 IEEE C=CC[C@@]1(CO)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2287700403 UMGJFYDORVWIIC-RTWAWAEBSA-N 438.521 2.134 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2301727581 KRDBKGDXCHYRAR-CQSZACIVSA-N 440.371 2.317 30 10 IEEE COC[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304805183 OMMKMHATSCIBAF-CYBMUJFWSA-N 426.294 2.438 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)CCOC[C@H]1NC(=O)OC(C)(C)C 2306220969 BOUDDGDNYUNQLN-QVKFZJNVSA-N 443.541 2.184 30 10 IEEE O=C(C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2323247605 RLSIUHJVVJJXEF-UHFFFAOYSA-N 436.464 2.113 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc[nH]1 2330792486 QBGUSZZOJGXTCJ-CQSZACIVSA-N 425.518 2.094 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2334261234 JCIPSPGEVCEKFL-QLFBSQMISA-N 446.357 2.227 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)[nH]1 2337027346 DJWZVSQBOVJRSL-SZMVWBNQSA-N 447.385 2.187 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1 169751946 NAAWEBCITUZPSK-HXUWFJFHSA-N 431.558 2.424 30 10 IEEE CCN(CC)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254405914 ZJROHENWEBCPKV-OKZBNKHCSA-N 437.587 2.313 30 10 IEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F)c1ccc2c(c1)OCO2 254863403 OXCLQDOIDOJOCU-RHSMWYFYSA-N 434.470 2.470 30 10 IEEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 443550734 JPTNQEKWPLQRJY-UHFFFAOYSA-N 448.523 2.303 30 10 IEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1)[C@H]1CCOC1 461092537 WRYKPOQBIMMWTC-AZUAARDMSA-N 427.505 2.149 30 10 IEEE COc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1OCC(=O)NC(C)C 461277628 QPGRHGBPNWFTPL-UHFFFAOYSA-N 434.456 2.303 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cc1 461371501 KZXIYBZXWXEVBB-UHFFFAOYSA-N 445.544 2.136 30 10 IEEE Cc1nnc(CN(C)CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)n1C 467979689 WDCZBHAUDUFDAT-UHFFFAOYSA-N 428.547 2.210 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Cn2ccnc2)cc1 486017724 KTSJBPREPRUYKJ-OAHLLOKOSA-N 430.511 2.418 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1 488373721 OIWUJIBLJLDWBB-CJWGEJFDSA-N 443.569 2.124 30 10 IEEE CCN1CCN(c2ccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2F)CC1 489199088 AOEHXXFYAKBQJP-QFIPXVFZSA-N 449.530 2.370 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 508504664 AFTFVYDXRJZSMN-KRWDZBQOSA-N 441.561 2.174 30 10 IEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCCC(=O)NC)CC1 508722802 FTXVZGKPCARMNG-UHFFFAOYSA-N 429.521 2.270 30 10 IEEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 508955445 GNLIKCONEOMNFL-UHFFFAOYSA-N 427.509 2.030 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccccc1C 519356377 DMQWZQDDBIGBIR-UHFFFAOYSA-N 437.471 2.291 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 527028179 VXMRCKFLJQIAOP-INIZCTEOSA-N 447.507 2.056 30 10 IEEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2Cl)CC1 549276116 QHGDRLOUAKYCRU-IBGZPJMESA-N 445.951 2.487 30 10 IEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 553552225 YBAPXIXLNRSRJV-KBPBESRZSA-N 431.901 2.409 30 10 IEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 559005746 WHTAKFQCYWBLFN-GOSISDBHSA-N 449.559 2.333 30 10 IEEE Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)cc1 561679756 LWRBUIJRKULDMP-UHFFFAOYSA-N 440.525 2.018 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@](C)(C#N)C(C)(C)C 565384901 JZLJPUSZYQTRRJ-OAQYLSRUSA-N 436.578 2.080 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccccc3C)cc21 586358222 PRKUOLYMEJKEBD-PMERELPUSA-N 426.494 2.477 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)cc2)nc1 609756507 HSAFWYKBZCDBSM-UHFFFAOYSA-N 432.440 2.053 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 731887652 DEHOFPCDXFAPHL-ISLYRVAYSA-N 448.317 2.140 30 10 IEEE CN(Cc1cc(Br)ccc1F)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465110 CLRNWFQHEWWJHK-FOCLMDBBSA-N 425.258 2.256 30 10 IEEE COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 737860013 LKBQGRRKFWRECM-UHFFFAOYSA-N 449.916 2.299 30 10 IEEE COc1ccc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C#N 747443538 HRJJWWHZUGKTDN-GOSISDBHSA-N 440.525 2.336 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 748065183 JALVUTNDOOXSCZ-UHFFFAOYSA-N 436.455 2.447 30 10 IEEE Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 754491511 YWFBMEZGORDYPG-QGZVFWFLSA-N 427.505 2.479 30 10 IEEE O=C(O)C#CCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 757470355 GYDBGHVOVXFVTB-UHFFFAOYSA-N 448.475 2.279 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 758228470 ZVMGOLUWQKMUHJ-SKOAFDGASA-N 434.537 2.493 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)ccc1F 762548121 VXAAVFPHMCYFOL-MRXNPFEDSA-N 437.493 2.326 30 10 IEEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 779354399 DAGDLAYSQNPSCF-FQEVSTJZSA-N 448.483 2.139 30 10 IEEE N#CC1(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CCN(Cc2ccccc2)CC1 779547035 QWDPEULMIIBFRY-PMACEKPBSA-N 436.537 2.365 30 10 IEEE Cc1nc2c(s1)[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCC2 780870596 DXAMXMCKZGJVCM-SFHVURJKSA-N 445.570 2.417 30 10 IEEE Cn1ncc(-c2csc(=NC3CC3)n2N=Cc2ccc(N3CCOCC3)c(F)c2)n1 789968119 JNXOPFBNKQTRHK-UHFFFAOYSA-N 427.509 2.266 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3cnc4ccc(F)cc4c3)CC2)o1 793285624 ROKBXHCWAOZTMB-UHFFFAOYSA-N 443.460 2.264 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)c1 797149371 ZHBHPSDPUAHIHX-UHFFFAOYSA-N 449.847 2.218 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 813710373 GGVHBXFLARDRRK-WIYYLYMNSA-N 448.516 2.477 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC[C@H]2C1 817717982 JRWXPVMRKREBMP-KDURUIRLSA-N 426.517 2.394 30 10 IEEE CC(C)N1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2cnn(C)c2)C1 849572663 CRMOENBYLVQNIZ-YTFSRNRJSA-N 448.571 2.417 30 10 IEEE CCOc1cccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c1 1084597043 WOZVPURWOLFNAS-UHFFFAOYSA-N 443.537 2.345 30 10 IEEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C(=O)OC(C)(C)C 1135780997 GTAGLVFFNPUAES-UHFFFAOYSA-N 442.560 2.256 30 10 IEEE C#CCN(CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1)C(=O)OC(C)(C)C 1146498847 RNVUXZSYGITOQG-LJQANCHMSA-N 443.544 2.303 30 10 IEEE N#Cc1ccc(Cn2cc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)cn2)cc1 1152385281 NDBIWUPZTZOSOO-IFMALSPDSA-N 447.470 2.085 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)C1 1153865210 CZKJWKDOIVQBJW-MPGHIAIKSA-N 430.480 2.444 30 10 IEEE C=CCC1(O)CN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)C1 1154865229 AGFXDFRYMCFMRW-OAQYLSRUSA-N 426.538 2.260 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)Cc1ccc(F)cc1 1155508704 SSALKBDZVJAYCT-MJGOQNOKSA-N 447.532 2.143 30 10 IEEE C#CCOCCN(C)C(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1160090252 JPRWTRPELMMRCA-UHFFFAOYSA-N 427.482 2.263 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)C1 1176686527 AILOGHSRSUIJDF-UHFFFAOYSA-N 428.533 2.275 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)c1 1178557354 MVBGFGWRIVOKDL-IHPCNDPISA-N 433.526 2.056 30 10 IEEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3Cc4cccc(C#N)c4C3)ccc21 1183878944 QUVVYECNLAJFEN-UHFFFAOYSA-N 432.484 2.371 30 10 IEEE C[C@H](NC(=O)[C@@H](C)N1CCc2c(CC#N)cccc2C1)c1ccc(S(N)(=O)=O)cc1 1196622944 MUTRMWYZYMLPMH-JKSUJKDBSA-N 426.542 2.024 30 10 IEEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)nn1 1197641587 DGUWQOCZYUUTJL-UHFFFAOYSA-N 447.565 2.026 30 10 IEEE CN1CCN(c2ccc(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CC1 1246303284 ONMCCKOOWMYKJO-UHFFFAOYSA-N 432.572 2.337 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(N3CCCC3)CCOCC2)c1 1286307772 AOYYEAMYIMWTNA-UHFFFAOYSA-N 436.560 2.288 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286390581 AZUUFTCCRPFIKB-GJZGRUSLSA-N 434.484 2.140 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286391255 DEVYZYOPFNKXFP-WOJBJXKFSA-N 428.558 2.156 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)OC 1286400265 AMFCKYQNKXAZTB-UHFFFAOYSA-N 428.562 2.044 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC2CC2)c1 1286432510 MYIYKGLQKYIJQU-UHFFFAOYSA-N 432.528 2.096 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](F)COC)CC1 1286485407 KIJUYVYJEZATNU-QGZVFWFLSA-N 433.553 2.319 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1286701034 UPRLSISEOGGMEI-RTBURBONSA-N 447.609 2.271 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1286790635 VJNRILGWRHRHBC-SFHVURJKSA-N 438.576 2.425 30 10 IEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1286832012 NYXPEQBNXZSPAF-QAPCUYQASA-N 429.546 2.377 30 10 IEEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1287234566 GFTYLJOCJYDIHL-UGKGYDQZSA-N 443.573 2.239 30 10 IEEE CCc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1292526280 FLSSDGPVFGHZPZ-BLRPHQBRSA-N 436.516 2.259 30 10 IEEE CN(CC1(O)CCOCC1)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1296433796 VUKLFUVJICONSW-LJQANCHMSA-N 429.517 2.392 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC)c1 1300335047 ZCJSSXFEUKXPNU-KRWDZBQOSA-N 429.546 2.037 30 10 IEEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300416176 ANTKDPAIIJNCIS-OFNKIYASSA-N 449.603 2.056 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1301124061 FTAHGACSXCEJGW-KRWDZBQOSA-N 433.553 2.478 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1301289871 SQPYZHHKCPMFTB-PMERELPUSA-N 428.562 2.361 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301399423 MTFULGQYCVMICR-QFIPXVFZSA-N 441.557 2.058 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1301438437 ACKYVIPKAFPVFF-HSZRJFAPSA-N 440.548 2.051 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccncc2Cl)c1 1302989319 KFUPEZPXNKXXFT-UHFFFAOYSA-N 428.905 2.148 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1303502378 NBFDKNCPZCQLBO-CVDCTZTESA-N 446.596 2.310 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCc1cccc(F)c1 1303822691 DTWOQRBKYOSFSH-OAHLLOKOSA-N 434.541 2.400 30 10 IEEE COC[C@H](F)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315823646 GSZQZRUYSULPSW-MJGOQNOKSA-N 428.512 2.327 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1315866162 YXSAMDBCEVECFI-JOCHJYFZSA-N 436.560 2.446 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(C)(C)O 1316209462 QTYYKJWMFQJTNK-GOSISDBHSA-N 442.564 2.361 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1349164745 FVBNNLLHJFAJGF-XLIONFOSSA-N 437.562 2.083 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCOC[C@H]1C 1358971710 GQRAUTSBLSLXGB-QGZVFWFLSA-N 429.471 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC1 1359045464 INSSZSNFXAQHDJ-UHFFFAOYSA-N 449.534 2.488 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CCC)C(=O)C1 1359053051 ZRVNNEFKJVYKTP-UHFFFAOYSA-N 441.557 2.489 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1359095556 PKIBKGRUJDFIAX-VQIMIIECSA-N 432.546 2.170 30 10 IEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359226451 GGMNRCVHIIWBMU-HXUWFJFHSA-N 446.596 2.493 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1359260337 AVZFESVICKFOME-QGZVFWFLSA-N 434.537 2.427 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1359754204 AFDPUANFTXUYOQ-XQDODVJUSA-N 442.564 2.398 30 10 IEEE CCO[C@@H]1C[C@@](O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1(C)C 1448860914 JYIFNKIDURKJHU-KLHOMCTFSA-N 435.565 2.456 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C2CCC2)CC1 1456625429 MSZAHNWITHJHAJ-GOSISDBHSA-N 433.574 2.293 30 10 IEEE N#C[C@@]12CN(CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1460835547 QBRPBBVTZGDQBA-BWAGFHJFSA-N 443.956 2.416 30 10 IEEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1 1465236995 HREUFGSCABVQGE-KHPPLWFESA-N 440.521 2.122 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1468801459 BRTWXXUGPQEDLI-INIZCTEOSA-N 432.521 2.351 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1 1471762051 SHVSPJWAMYPJEG-QGZVFWFLSA-N 443.525 2.000 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)C2=O)cc1 1478419789 DIMLPQUDQQXFEL-PKTZIBPZSA-N 447.539 2.120 30 10 IEEE C#CC[C@@H](COC)NC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1479059431 AANDAXSRJJYBIC-IHPCNDPISA-N 434.581 2.282 30 10 IEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCN1CCC(C)CC1 1492911952 TZULLZYMLQCQMY-IBGZPJMESA-N 437.596 2.475 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1504964351 HOICPACZBOXDJU-HTAPYJJXSA-N 443.527 2.488 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1507547905 YPDXPSGIQKBWSM-GOSISDBHSA-N 428.556 2.480 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507604379 AQKIPHIOQFTCIR-UHFFFAOYSA-N 432.488 2.137 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1507641399 DQHVVFUKZJCWNH-DQEYMECFSA-N 434.540 2.226 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCO[C@@H]1C 1507702387 UPMFOYITONLLCD-LYHRCORUSA-N 428.508 2.491 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nccnc2C)CC1 1507719962 CQEKRJRQVRBJGA-UHFFFAOYSA-N 447.543 2.059 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)CC1 1507722790 IWELWKXJCRURFE-UHFFFAOYSA-N 435.532 2.097 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507855521 WTWCXGSNGWOKMC-FUHWJXTLSA-N 439.004 2.496 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)n(C)c2=O)C1 1508110578 UEEUWKHFLIKISM-LJQANCHMSA-N 442.564 2.033 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1510289224 CXMNGFDKVQODFH-HSZRJFAPSA-N 440.523 2.387 30 10 IEEE CCc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513943094 PVQKOXQDJJYDSK-FBBFKJPPSA-N 436.516 2.119 30 10 IEEE CCCCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1514514223 CHCHXIBQXBXZEQ-WMZOPIPTSA-N 446.577 2.398 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539454658 XBNPDUICLCDYAJ-JOCHJYFZSA-N 428.625 2.123 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539887709 GIACMJUYNUSCPD-SJORKVTESA-N 429.487 2.448 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539918841 RZBZMTQGGOLZOI-MRXNPFEDSA-N 431.585 2.462 30 10 IEEE C=CCCCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1540006963 YYPKNBVMRWNPGT-UHFFFAOYSA-N 440.596 2.396 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1540865168 XAUAEMBTFTTYBG-HNNXBMFYSA-N 429.521 2.268 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC(N3CCNC3=O)CC2)cc1 1540878774 IAFJAOVFEJQAFG-UHFFFAOYSA-N 440.548 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1540904222 KDZWZULTTQFQIQ-IEBWSBKVSA-N 448.589 2.482 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCO[C@@H](C)C2)CCOC1 1541104684 ASHPNQMWFFRHPP-ZRCGQRJVSA-N 448.612 2.415 30 10 IEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1=O 1541558869 VRPVKKJSPCBOCH-UHFFFAOYSA-N 433.560 2.383 30 10 IEEE Cc1nc(CCn2c(N3CCC(CC#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1542945153 ANCUFVXPPNDBDO-OAQYLSRUSA-N 428.541 2.118 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(OC)CCOC1 1545544112 PXSZOBXBSDLCEQ-HTAPYJJXSA-N 425.537 2.190 30 10 IEEE COc1ccc(OCCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1554983079 SQXNUSDDNBRCMP-FXAWDEMLSA-N 427.505 2.379 30 10 IEEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1555005271 ITUCSFPIUZCVSV-JTSKRJEESA-N 437.504 2.072 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CC1 1555198628 LICGGPOHJZGCCI-UHFFFAOYSA-N 440.891 2.406 30 10 IEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CCO1 1555388212 DINKQHHWKYSZGE-MRXNPFEDSA-N 441.442 2.444 30 10 IEEE COCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555474406 NVWDLKNWOFDDAG-UHFFFAOYSA-N 449.563 2.160 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)OCC 1557935385 YVXHUTZTBHXGFE-MRXNPFEDSA-N 430.954 2.389 30 10 IEEE COC(=O)c1cc(Br)c2c(c1)CN([C@H](C)C(=O)NC1(C#N)CCC1)CCO2 1560236055 CVKUJNCMGAUFOT-GFCCVEGCSA-N 436.306 2.381 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCCC2=O)c1 1588088927 BXEBFIROZZVHBF-VWLOTQADSA-N 447.539 2.178 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCSC1 1588123985 ARGUFXRBNGKEBR-MRXNPFEDSA-N 428.587 2.064 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@]1(C)CN(C2CC2)C1=O 1588245477 FVSXHBZJPUVRFS-VWLOTQADSA-N 431.540 2.373 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)CC=C 1588258675 HENOFBJLSRSJMX-RTBURBONSA-N 432.590 2.260 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCO[C@@H]1C 1588581329 NVLXPUMJHPTNKE-FOIQADDNSA-N 449.349 2.334 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(C)OCCc2sccc21 1588672018 AEDOALGQEZDFEU-QFIPXVFZSA-N 443.573 2.036 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC3(C2)OCCO3)CC1 1588884514 CWFJWLDPBVITQT-KRWDZBQOSA-N 429.565 2.085 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1594567075 LECFVZWULIOMOQ-UHFFFAOYSA-N 434.548 2.464 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594608306 IXPAYMAZQCXHFL-RXVVDRJESA-N 440.596 2.024 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1594856543 GVBLMXOPVQNZHG-RHSMWYFYSA-N 441.001 2.467 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1595500819 GDGJBTSZMWPJCD-UONOGXRCSA-N 439.969 2.159 30 10 IEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1595640380 VZQCQVUZNVZUMX-FQEVSTJZSA-N 449.559 2.455 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCOC1 1595765664 FJGXTWTVRPBVNY-MRXNPFEDSA-N 449.533 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1595812558 XXXJMWAHFBLSSW-FQEVSTJZSA-N 441.557 2.281 30 10 IEEE CN(CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C(=O)c1ccc(Br)o1 1596978849 SXLUWMALYUSTKC-AWEZNQCLSA-N 446.305 2.484 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2COCCO2)C1 1597623506 ISACMISODPIZBV-FGTMMUONSA-N 446.552 2.204 30 10 IEEE CC(C)OCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1611084126 ICTOJTFPDLPSOI-IBGZPJMESA-N 435.529 2.105 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(Cl)nc1 1611696279 FFMAJFNQEAGALK-FZKQIMNGSA-N 437.957 2.115 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC2(CCOCC2)O1 1612977750 HOSZWPSBLSZCRS-QGZVFWFLSA-N 441.532 2.274 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cccc(C)n1 1616922879 QBNORVBHEPHATN-UHFFFAOYSA-N 432.532 2.354 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623849839 KUUIEKWAHAFMOP-JTSKRJEESA-N 429.521 2.064 30 10 IEEE CCOC(=O)CON=C(C(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1)c1cc[nH]n1 1625408287 OTEFDJWJQHGGCA-MJGOQNOKSA-N 441.532 2.378 30 10 IEEE Cc1cc(C#N)cc(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1626380044 XUYZYDYSUGMWFC-NXHRZFHOSA-N 433.530 2.475 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 1627000409 PWHCYXSHFNGNEP-QZTJIDSGSA-N 435.546 2.164 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CNC(=O)c4ccccc43)c(C#N)c2N)cc1 1634946540 DSEVQQQZVYYGST-FQEVSTJZSA-N 428.496 2.211 30 10 IEEE C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1636562517 MLXFJOVMFYVXCQ-GFCCVEGCSA-N 434.381 2.328 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1641104136 MIZSHNVPBYYCGO-JTSKRJEESA-N 439.541 2.485 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1646095951 PHVBLSXRXNNCRU-KURKYZTESA-N 429.521 2.286 30 10 IEEE CC(C)c1ccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1648155345 DEJDXUGTBJMQFL-LAUBAEHRSA-N 444.582 2.485 30 10 IEEE C#CCOCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1648264730 RKXHFNOBFTYEIC-QFIPXVFZSA-N 426.538 2.219 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1648647741 QSNCKPPDELDUEP-AWEZNQCLSA-N 429.498 2.079 30 10 IEEE O=C(NCC#C[C@@H]1CCCCO1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1653544045 KBHZFHPYELKNKL-INIZCTEOSA-N 426.485 2.054 30 10 IEEE C[C@](CO)(Cc1ccc(Br)cc1)NCCS(=O)(=O)c1ccc(C#N)cn1 1654936872 ZRGVKNORVKWTJR-GOSISDBHSA-N 438.347 2.073 30 10 IEEE C#CCC1(O)CCN(C(=O)Nc2ccnn2Cc2c(OC)cc(OC)cc2OC)CC1 1661033843 GNFOVSBVPBFNQJ-UHFFFAOYSA-N 428.489 2.339 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1)[C@H]1CCCO1 1671890181 YKMNRRVRPAUGAY-JRGCBEDISA-N 433.574 2.397 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCc3c(nnn3-c3ccccc3)C2)[C@H](C#N)C1 1686055013 GDAGEOBCKUUXBF-NVXWUHKLSA-N 437.504 2.094 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)C1 1686056339 WFEUAOZYPMMAMP-XNROWMOSSA-N 449.552 2.444 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN1c2ccccc2C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689979776 GZTHXWHEEZVCHC-AZUAARDMSA-N 441.601 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1F 1690047472 RLCOGJRMFWIETG-MRXNPFEDSA-N 434.924 2.484 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cccn(CC)c2=O)CC1 1690115508 INHUVIHEQHIQLZ-UHFFFAOYSA-N 430.556 2.493 30 10 IEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1690183448 ZDSDEZRNXKAJSE-HXUWFJFHSA-N 441.601 2.361 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690245082 COYONFBVJYAKGR-ZJOUEHCJSA-N 431.581 2.458 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690666820 HRSJIFDPISMMFW-LJQANCHMSA-N 438.576 2.245 30 10 IEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1693862075 CCGFEEVSPSYKBN-OAHLLOKOSA-N 426.546 2.197 30 10 IEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1695801752 MBEZOHKQIREUKZ-GOSISDBHSA-N 436.520 2.250 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nnn(C)n1 1705482744 GEYNHWIEHMYHEJ-SNVBAGLBSA-N 435.717 2.391 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1705490544 MLIXJZBDBLNIOI-FYSMJZIKSA-N 447.543 2.172 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCCc1ccccc1 1705495783 VJOOVHYHCPIXBZ-UYAOXDASSA-N 430.574 2.288 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)C2CC2)c1 1705506982 NWUIVDJDMSDNKQ-HOYKHHGWSA-N 437.544 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705584652 SNPPLPLWSKIYLE-XMMPIXPASA-N 440.551 2.238 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](COC)C1 1705656674 FRSCZNCEDAKRAG-KRWDZBQOSA-N 432.546 2.180 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705678045 MASAYVRODUARDJ-WAOWUJCRSA-N 435.594 2.011 30 10 IEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1705747087 DVPVDBINQJRKJD-NSHDSACASA-N 431.896 2.482 30 10 IEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1705946382 GSGAWRURCZPPRF-CRAIPNDOSA-N 429.546 2.425 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCCC1=O 1722294820 ZBWYVDWPKNPSHH-INIZCTEOSA-N 426.521 2.256 30 10 IEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1722336285 KKTPZYLNRBQNBR-GOSISDBHSA-N 428.562 2.155 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CO)CC1 1722501578 GFISHXAMLBSFDR-YLJYHZDGSA-N 445.589 2.460 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1nccs1 1722537610 PEDMCYHBQLNNGK-CVEARBPZSA-N 439.607 2.469 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1722554288 DABIUWRKFXKJQA-HOTGVXAUSA-N 444.001 2.065 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722684958 FQHLLFAUSFXYMO-MRXNPFEDSA-N 432.887 2.170 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCCCCC2)C1 1722702840 SBLKYPXFMYAJBR-UHFFFAOYSA-N 441.580 2.372 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCC(=O)N(C)C)C1 1722720581 FDAAYERLPNYCSV-IBGZPJMESA-N 437.548 2.166 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722727808 RLACIROFECWHHI-QGZVFWFLSA-N 439.582 2.251 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](OC)C(F)(F)F 1740541642 DIQFODGHWYYEGP-CZUORRHYSA-N 434.426 2.346 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1740557626 PMNLPGXVVAZANV-INIZCTEOSA-N 427.530 2.011 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1740632003 FUZODBWPMNMOBJ-DEOSSOPVSA-N 436.512 2.097 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)C(C)C)CC1 1740706824 FCFGEMZEFLUMQL-XMMPIXPASA-N 441.551 2.381 30 10 IEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1740848887 TXVOCULJPCEZRQ-UHFFFAOYSA-N 438.580 2.333 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1740882575 QJBAJGSWSRHSDE-QGZVFWFLSA-N 441.532 2.366 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1740890882 LMDBRVFJDLSRIZ-SNVBAGLBSA-N 438.501 2.229 30 10 IEEE C=CCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949255 BNHDAUPMYFMFLM-QHCPKHFHSA-N 443.596 2.177 30 10 IEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740968481 BRRGJTFUFHPTOH-HXUWFJFHSA-N 425.533 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCCC2)C1 1740969720 ALNPYTPYCKERCE-RTBURBONSA-N 439.564 2.439 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1740987960 PFUZRISOZUXJHI-UHFFFAOYSA-N 427.530 2.034 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCOCCN(C)C 1741475860 INUGHMZGTYRVOF-UHFFFAOYSA-N 425.581 2.253 30 10 IEEE CN(C(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1747518528 GIZFBZVLBFPRSU-SFHVURJKSA-N 428.562 2.450 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747596756 MTIBIYKIGWPPHS-FQEVSTJZSA-N 443.983 2.353 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCCO 1748005932 GCARGWCBGQKCBH-OAHLLOKOSA-N 437.342 2.328 30 10 IEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)cc(OC)c1OC 1748515124 RAJATDXQGGBIDD-JLCFBVMHSA-N 442.520 2.045 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCN(C)S(=O)(=O)CC 1748679763 IQPJFVZQNLHJAX-SFHVURJKSA-N 442.589 2.411 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748709569 ZJNLKIBTZBKDLL-UHFFFAOYSA-N 445.571 2.365 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@@H](C)C1 1748735307 FYSXAFOCYCEOQC-KRWDZBQOSA-N 443.621 2.490 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748812580 XBSMFPXHHZLSOJ-GOSISDBHSA-N 445.589 2.260 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC(=C)C)CC1 1748979156 VSIWRVGAKXALCL-UHFFFAOYSA-N 447.381 2.394 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2ccccc2)C1 1749034274 YMPGUURQDXUQTM-RBUKOAKNSA-N 425.558 2.391 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1(C)C 1749220014 ADQPWKPUCYYHBO-XXBNENTESA-N 441.532 2.395 30 10 IEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1749465458 TYXGNXOWWFDFAG-INIZCTEOSA-N 432.956 2.204 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(N(C)C)CCSC1 1749482218 DIZLIOZKPGNRHE-FQEVSTJZSA-N 449.650 2.298 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOCC)CC1 1749658689 UWCKRRDCCNCJSB-UHFFFAOYSA-N 432.956 2.059 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)CC1 1749921158 MNKSZDIGRMVYTD-JXFKEZNVSA-N 438.532 2.289 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)C1 1750197338 FIOZSAMRYSEWMU-QZTJIDSGSA-N 447.586 2.248 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccn2)C1 1750377817 AGTDPDZQBKAXSU-HXUWFJFHSA-N 425.493 2.349 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(F)(F)F)CCOC1 1751024673 OVTMMGLGQGVXEC-QAPCUYQASA-N 428.459 2.058 30 10 IEEE Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751887447 IPAPYSSYQVJZAC-VXPUYCOJSA-N 437.460 2.190 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCN(CC)CC1 1760122119 XJZHLZQISGOMIS-VQTJNVASSA-N 434.592 2.001 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1760175886 UKEOUSPDDWMREE-WOJBJXKFSA-N 429.590 2.115 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760183513 PSXZONKPDJXOQZ-RBUKOAKNSA-N 445.589 2.348 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)CC)CC1 1760267118 FUHCBSWYZAWHKI-OAQYLSRUSA-N 430.940 2.120 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1760297903 MXZDATBHJIQIBP-OAQYLSRUSA-N 447.536 2.024 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)c2)CC1 1760389247 GONNMGKFCKGILC-FQEVSTJZSA-N 445.589 2.319 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCOC)cc2)CC1 1760389705 RVMIDSWJHZWTIN-LJQANCHMSA-N 446.573 2.410 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1760441164 ZIFSKVMMLYUNJD-OAHLLOKOSA-N 435.516 2.221 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(-n2cncn2)c1 1761223776 HLKICFPXMSBOPZ-QFIPXVFZSA-N 433.520 2.175 30 10 IEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1762675748 TZWVAAPGHXIIBK-LJQANCHMSA-N 440.548 2.311 30 10 IEEE CCN1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1 1765412303 WQUQJTIYHZYOSR-HOCLYGCPSA-N 448.369 2.117 30 10 IEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)CC1 1766708134 XTPOLNSINGZDCM-UHFFFAOYSA-N 448.618 2.478 30 10 IEEE COCCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1769814895 ZJEBJBDUJNWSOG-UHFFFAOYSA-N 436.520 2.137 30 10 IEEE CSC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770402086 PQQAFDXUKLVQQI-UHFFFAOYSA-N 441.561 2.077 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CC1 1770745149 RTKRFINNAMLDKE-IBGZPJMESA-N 434.610 2.186 30 10 IEEE C=CCN1C[C@@H](C(=O)N(CCN2CCOCC2)c2nc3c(C)cccc3s2)CC1=O 1848973065 VCFCMFHCECULTP-KRWDZBQOSA-N 428.558 2.304 30 10 IEEE C[C@H]1CC(=NC(=O)COCc2nc(-c3ccncc3)no2)NN1c1ccc(Cl)cn1 1851840329 DIGFTOZZTGUCJR-LBPRGKRZSA-N 427.852 2.425 30 10 IEEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc(-n3cncn3)cc2Cl)CC1 1851906239 VOOHDSGAOSNBHH-UHFFFAOYSA-N 437.891 2.166 30 10 IEEE O=C1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1cccc(F)c1 1852157413 KBWSRVJJVPMCLJ-GFCCVEGCSA-N 435.399 2.045 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cc2ccc3c(c2)OCCO3)cc1 1853074320 YDUVPVXCXHMIMY-NRFANRHFSA-N 438.480 2.195 30 10 IEEE CCOc1ccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1C 1854401860 VKFDPDFGUYSARF-SFHVURJKSA-N 430.482 2.356 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)OC1=O 1855960944 CASUBGIIFUXGOF-OAHLLOKOSA-N 429.857 2.141 30 10 IEEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2=O)CC1 1857356871 PTUYVIQTIGNMMJ-VQIMIIECSA-N 428.920 2.446 30 10 IEEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(O)c1 1862626593 CXADLOISPVNVHM-LJQANCHMSA-N 427.409 2.441 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862691068 XLSFRVRZDYMBHP-ADLMAVQZSA-N 428.397 2.268 30 10 IEEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(CCN2CCOCC2)C1=O 1863430312 BOCABWSUQCFCBC-UHFFFAOYSA-N 432.480 2.091 30 10 IEEE CCCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868795174 JLESKMMJKFWLTN-PMACEKPBSA-N 445.633 2.474 30 10 IEEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870350036 NCQMACZHBQGOCO-ROUUACIJSA-N 438.528 2.044 30 10 IEEE CCN(CCO)S(=O)(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872720495 GDRDQVDSNPUMLS-UHFFFAOYSA-N 449.554 2.129 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)cc1 1874349752 BZFLMAMQDWLCJO-SSDVNMTOSA-N 427.486 2.051 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1C(=O)O 1874471320 YJXMCWLQNCJOLO-KEBDBYFISA-N 446.514 2.235 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1889689790 AVHUMFCOOSQCPK-HNNXBMFYSA-N 432.011 2.264 30 10 IEEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC(COc3ncccc3C#N)CC1)CS2 1891162595 VBXUWUZQLAEZLO-GOSISDBHSA-N 439.541 2.481 30 10 IEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 1891899475 VPOCERMCVILLQZ-ZWKOTPCHSA-N 448.479 2.352 30 10 IEEE CN(CCCN=C1CN(C(=O)OC(C)(C)C)CCN1)CCCNC(=O)OC(C)(C)C 1977567383 BTWBPAASCXIYEK-UHFFFAOYSA-N 427.590 2.462 30 10 IEEE C=CC1(NC(=O)[C@]2(CO)CCCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993244021 OHJQWFKTCQFSOU-OAQYLSRUSA-N 425.526 2.040 30 10 IEEE C=C(Br)CN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2077072674 GQYXELKFUSSWJW-LBPRGKRZSA-N 439.372 2.166 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CC#N)CCC(F)(F)F 2114159461 MDXMBKKMQWTRLT-MRXNPFEDSA-N 435.399 2.119 30 10 IEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677595 HSYAQASODRBJDK-PBHICJAKSA-N 447.341 2.344 30 10 IEEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2174787277 SAGHBPFXUZZRRH-RBUKOAKNSA-N 429.498 2.229 30 10 IEEE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCO)cs1 2177660546 NDVZVMNPOZJRMP-OAHLLOKOSA-N 446.550 2.149 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216458249 DXIJJUXZLYPAKB-OPAMFIHVSA-N 439.553 2.171 30 10 IEEE C[C@H](NC(=O)CCONC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248401429 ISYMZDFZGZXOJL-LBPRGKRZSA-N 441.359 2.466 30 10 IEEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248414961 SIDZNZBDVNRLJX-UHFFFAOYSA-N 440.371 2.205 30 10 IEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255805711 AHDNRNVYNDBLHA-UHFFFAOYSA-N 432.286 2.001 30 10 IEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255814343 ZQMUETNZTCWJBU-STQMWFEESA-N 449.382 2.380 30 10 IEEE Cc1cnc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2267118333 JQNUUTOYLGZALQ-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2267133897 ILVAKMAPOUXUMU-LSDHHAIUSA-N 446.357 2.275 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2267285242 IGWJRDNBGPHCMK-VQTJNVASSA-N 438.333 2.304 30 10 IEEE Cn1cc(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267498788 MRUAGGRTCYRRMD-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267521169 RHNRWUBQOJLYAL-ZBFHGGJFSA-N 448.373 2.426 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268718570 YFYMRFVGWCRWJX-YOEHRIQHSA-N 447.341 2.344 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2278702627 UGNOEIZEYCKDQX-SFHVURJKSA-N 448.369 2.450 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CCCC23OCCO3)OC1(C)C 2282500282 JOKMMMGXBGQXTM-OAHLLOKOSA-N 443.758 2.213 30 10 IEEE COc1ccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 2296157176 PKDICXNFWSMQGB-LJQANCHMSA-N 442.424 2.034 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2296296290 MEKFAWNSVOMQHP-XLIONFOSSA-N 439.350 2.387 30 10 IEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300338542 XYBYLHGQWVFBPF-UHFFFAOYSA-N 437.371 2.475 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)CCn2cc(Br)cn2)C1 2336513763 ZSQUWMYCKXQPGJ-UHFFFAOYSA-N 425.327 2.411 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)C#CC(=O)O)cc1Br 2366898416 WGEPZJYYHDNNGL-QMMMGPOBSA-N 425.098 2.275 30 10 IEEE C[C@H](C(=O)NCc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925075 YTMCSGOCGKUEKW-MRXNPFEDSA-N 446.960 2.223 30 10 IEEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NCCc2ccc(F)cc2)n[nH]1 59309905 MLLIXVGGLIXDFI-LSHDLFTRSA-N 430.513 2.191 30 10 IEEE O=C(CN1C(=O)c2ccccc2C1=O)NCC#CCOc1cccc(Br)c1 90731287 NLNLFUDWBLERDJ-UHFFFAOYSA-N 427.254 2.244 30 10 IEEE CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N 101936418 SFJOEGKGTHYKJR-XJKSGUPXSA-N 435.527 2.493 30 10 IEEE COC(=O)c1c(C)oc(NS(=O)(=O)c2cc(N3CCCC3=O)ccc2OC)c1C#N 170550118 NYBQQPZYLBQMIM-UHFFFAOYSA-N 433.442 2.183 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CCN(C)[C@H](C)C3)nnc12 303911956 MRMXBARIFAFULB-CVEARBPZSA-N 440.573 2.263 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)C2)nc1 433144463 CFWRGLVSCPKTHB-INIZCTEOSA-N 445.476 2.317 30 10 IEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccn3)c12 436005177 XPIUQVSQFUURRY-OAHLLOKOSA-N 436.497 2.496 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 460591847 JYIKQQHKEGPKRJ-LJQANCHMSA-N 432.459 2.759 30 10 IEEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 468612476 ZMMYWMCHTSIXNJ-HNNXBMFYSA-N 425.308 2.459 30 10 IEEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 480344727 CGQRTEXRRXCOCL-CQSZACIVSA-N 436.925 2.285 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c(C)s1 488722353 GPVBNCHISHKNAJ-UHFFFAOYSA-N 443.547 2.071 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 507710155 VPVVMBYZFTZZRC-QFKVYABISA-N 431.625 2.371 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4OCC[C@H]4c4ccccc4)n3C)CC2)c1C#N 508190598 QBHCKBROLHNISC-ICSRJNTNSA-N 432.532 2.301 30 10 IEEE C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnn2)cc1 535171442 DLTMJUJRQJYDFX-FOIQADDNSA-N 443.467 2.221 30 10 IEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 540967213 STBSXIRRFUDEQJ-FUHWJXTLSA-N 447.902 2.202 30 10 IEEE CCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541799982 QSTYKOWJOBWXMV-UHFFFAOYSA-N 449.492 2.073 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 559011948 WYPKJERCRYBLOL-QGZVFWFLSA-N 429.525 2.212 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3OC)c2=O)n1 564783113 NCCWWNISOJEUFL-UHFFFAOYSA-N 447.516 2.183 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3cccs3)c2=O)n1 570140337 MCSOSFPWMVDKFF-UHFFFAOYSA-N 437.546 2.295 30 10 IEEE C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 572439548 AKNBSENKUGUXIS-UHFFFAOYSA-N 441.553 2.448 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c1 606466104 FRUOPCOHSBSEGG-UHFFFAOYSA-N 441.553 2.433 30 10 IEEE C[C@H](O)Cn1c(N/N=C/C(Br)=C/c2ccccc2)nc2c1c(O)nc(=O)n2C 606630624 OTZOAMPFKUHQER-TUWOGIGRSA-N 447.293 2.050 30 10 IEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(C)c2ccc(C#N)cc2F)cc1 609217446 GCBGMRBRLMXWDV-UHFFFAOYSA-N 449.504 2.257 30 10 IEEE COc1ccc(-n2cnnc2SCC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 610231887 HXADRIRWNHGQKQ-UHFFFAOYSA-N 446.496 2.189 30 10 IEEE CSCCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729668852 FSZSXKADSPIDEQ-UHFFFAOYSA-N 440.594 2.429 30 10 IEEE O=C(CSCc1ccc(Br)cc1F)NCCN/C(O)=C1\N=CC=CC1=O 732154578 SYMIMIFKSNDNDO-WUKNDPDISA-N 442.310 2.464 30 10 IEEE COc1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1CO 763032293 NIPRWAIUEMMTGE-UHFFFAOYSA-N 431.514 2.425 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccn(C)n1 765542556 FLQHOOQLSGRJBC-LJQANCHMSA-N 442.589 2.318 30 10 IEEE COc1cc2c(cc1OC)CN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2 780177050 LBJKULQXNNFRHL-HSZRJFAPSA-N 446.500 2.393 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 790238680 UEPIMMKULBVEQS-HSZRJFAPSA-N 436.597 2.345 30 10 IEEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 794060112 LWIAMQXOSTXBOQ-HCXYKTFWSA-N 436.961 2.240 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2C1=O 800717547 WTFWCYIAGGAGLP-UHFFFAOYSA-N 447.447 2.156 30 10 IEEE C=CC[C@]1(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 804693600 XVFROJXDPHQZAD-OXJNMPFZSA-N 429.583 2.263 30 10 IEEE COCc1nc(Cl)cc(NN=C(C)c2ccc(OCC(=O)N3CCOCC3)cc2)n1 814978756 VHENMRMEXVSATP-UHFFFAOYSA-N 433.896 2.350 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@H](Nc2ccccn2)CC1 816602600 DMLITXGYECGRQG-WKILWMFISA-N 427.530 2.050 30 10 IEEE C=CCN(C(=O)c1cccc(S(=O)(=O)N(C)OC)c1)c1nc(C(=O)OCC)cs1 920244072 UJIPOOONAAZXJD-UHFFFAOYSA-N 439.515 2.335 30 10 IEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)c1C 1084614592 FQFYWYUEINFDDN-UHFFFAOYSA-N 439.549 2.476 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1126394116 DJMQYQFPTLHXKZ-PKOBYXMFSA-N 444.532 2.370 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1130469387 LNPZBJJGLREWDA-IBGZPJMESA-N 426.414 2.441 30 10 IEEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)c(Br)c1 1134429184 RDZSBXMEGHBPBW-BTJLNZGRSA-N 429.311 2.479 30 10 IEEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3nscc3I)C2)nc1 1141570127 BDWFGTBMNUYWSP-JTQLQIEISA-N 426.239 2.308 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)ccc2c1=O 1148522832 KYXBADXRCMZCMK-SFHVURJKSA-N 441.534 2.271 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1c2ccccc2CN1C 1152052066 CNAJCNZDVLOZMR-VQTJNVASSA-N 440.569 2.443 30 10 IEEE N#CCc1cccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1158287721 GJGZPXCKTSUONS-UHFFFAOYSA-N 440.525 2.004 30 10 IEEE CC(C)[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1159151140 OOFSDIRYAHRACL-ZHALLVOQSA-N 432.590 2.225 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C[C@@H](O)c1ccc(C#N)cc1 1171840077 AIMVIUGQKKAGHO-ZACQAIPSSA-N 441.450 2.445 30 10 IEEE CC(C)(C#N)CS(=O)(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1213569953 DWDDAJKPQTZQPT-UHFFFAOYSA-N 437.562 2.350 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CC1 1224451315 GMQBRHZCSNTHTG-IBGZPJMESA-N 438.981 2.366 30 10 IEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 1251846352 CDZZBEQEJCAYEX-FDDCHVKYSA-N 435.484 2.422 30 10 IEEE CC(C)(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccc(C#N)c1 1278942678 HXPFAMAPBJTKCV-UHFFFAOYSA-N 431.489 2.383 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@]2(O)CCO[C@@H]2C)c1 1286308048 DZMCCKSYBLQUPP-SEPYTNNBSA-N 425.533 2.388 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCN2CC)c1 1286309194 HYYLQMCBQUVIHX-HXUWFJFHSA-N 444.543 2.276 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C)CCOCC1 1286400924 HHUBFICUROWQNP-UHFFFAOYSA-N 426.542 2.238 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)c(F)c1 1286408043 ZPTHGYBWIZCKBN-UHFFFAOYSA-N 435.459 2.469 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCOCC2)nc1 1286413540 WCXIBSFDAKJQHG-UHFFFAOYSA-N 432.553 2.283 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1OC(F)F 1286429225 HXBQXBKAXGOBFV-MRXNPFEDSA-N 431.418 2.481 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2ccc(OC)cc2OC)CC1 1286490910 WTGJPQAARMTERK-UHFFFAOYSA-N 437.544 2.381 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCC2)CC1 1286490924 XHFGDECICKUKRI-UHFFFAOYSA-N 435.576 2.100 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1286494882 VABFEJIIEVAVGJ-ICSRJNTNSA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(O)c1 1286495728 DAFDLRKOVFMBIY-CABCVRRESA-N 437.591 2.158 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286606994 AFGQXGXLEDYEMU-IRLDBZIGSA-N 446.640 2.448 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNC(=O)C(C)(C)C)CC1 1286641418 YNFCLHVPALKKNQ-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1286701032 UPRLSISEOGGMEI-RBUKOAKNSA-N 447.609 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccn1C 1286824924 KEABNYFHXDYMGU-OAHLLOKOSA-N 437.476 2.405 30 10 IEEE Cc1ccc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1289687079 BNDFNPGUAIBPJN-QGZVFWFLSA-N 430.516 2.310 30 10 IEEE C#CCN1CCCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1293716265 VPSMITQRAIQMHE-FQEVSTJZSA-N 443.544 2.181 30 10 IEEE CN(Cc1ccccn1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298372634 DVJGBLBIQYZDAB-GRNWLOBZSA-N 437.504 2.078 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300302743 DKWCEJHNIJWHQF-YDZRNGNQSA-N 429.544 2.324 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1300339281 LLZOTRCKSZBGIC-MSOLQXFVSA-N 436.626 2.002 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1300364997 PMQRRXHBRLBTMG-QGZVFWFLSA-N 433.603 2.372 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCC#C)CC1 1300409171 GCEXRUUQYGMGGM-NRFANRHFSA-N 433.512 2.170 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CCC)OC 1300539127 YRXUMEUOOIGBKD-OALUTQOASA-N 445.564 2.474 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CC=CCO2)CC1 1300710074 QZTAVWSGHNQFPC-HXUWFJFHSA-N 437.544 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[C@@H]2CCOC2)CC1 1300725885 FTKBTUMMFUZMGE-GOSISDBHSA-N 439.535 2.400 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCC(=O)NC2CC2)CC1 1300728898 JDJMHFKEAUBYEV-UHFFFAOYSA-N 440.592 2.035 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)N2CCOCC2)CC1 1301095619 JWRVGWIYPWUMEV-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCOCC2)CC1 1301128908 DIIGVSKHRDHSBK-UHFFFAOYSA-N 430.578 2.318 30 10 IEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301222881 IOLNDARDDBUICR-CVEARBPZSA-N 437.591 2.489 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1CCN(C(=O)OC)CC1 1301425799 KZLUTEDHKAKHRE-UHFFFAOYSA-N 428.537 2.381 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1301568281 QJPLPHACHOEAHX-IEBWSBKVSA-N 445.589 2.400 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1303915555 RQBNWHGOSCMRBR-CRAIPNDOSA-N 435.912 2.199 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cc1C 1304378240 ASUPTXOBNUCBKZ-YADHBBJMSA-N 442.495 2.395 30 10 IEEE N#Cc1c(NC(=O)CN2C(=O)N3CCCC[C@@H]3CS2(=O)=O)sc2c1CCCCC2 1307386824 SUTYENCWTVLTAR-CYBMUJFWSA-N 436.559 2.447 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCOC[C@H]1OC 1314406324 HHUIGCNYDDYTJQ-PCCBWWKXSA-N 441.532 2.316 30 10 IEEE COC[C@@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1315809917 CCBVATRTLUQEAP-KXBFYZLASA-N 438.866 2.288 30 10 IEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)C1 1316343745 MUWLKAQTMHMALY-QGZVFWFLSA-N 431.543 2.457 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1358930292 RSFDTCPPQYEDAL-GPJFCIFZSA-N 433.622 2.294 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1358960275 AQFCTVCRQAONGD-ZDUSSCGKSA-N 448.961 2.125 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1 1358971904 MXSCSOOTCVBMLX-QGZVFWFLSA-N 443.598 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1ccc(F)cc1 1358984488 YBDVQQJBLXHNFU-UHFFFAOYSA-N 445.458 2.166 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359221581 HEJNXJZPQWWCEZ-QGZVFWFLSA-N 434.585 2.140 30 10 IEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359224753 BHVDRQVGKFMDRU-GOSISDBHSA-N 445.531 2.310 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359268461 QYSBTNXCXUPYAS-NRFANRHFSA-N 428.514 2.419 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@H]1C 1359292630 UHXJDHWDKLLCDT-SJORKVTESA-N 429.521 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 1359297579 VGRDPMSLRHHYRL-UHFFFAOYSA-N 436.495 2.257 30 10 IEEE CC(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1359964575 ZCRCMFVZXGNEEZ-UHFFFAOYSA-N 440.548 2.174 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1360333371 HXPCPSWXPQAPMD-HSZRJFAPSA-N 438.532 2.206 30 10 IEEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3ccccc3C#N)CC2)cs1)C(N)=O 1434979631 ZDUICIPEVIDBGE-QGZVFWFLSA-N 429.571 2.262 30 10 IEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1 1460216413 UITPXAIVSAKSTF-SFHVURJKSA-N 428.533 2.116 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1466064988 UMUADAIOPHOYLB-CVEARBPZSA-N 428.537 2.278 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1)[C@@H]1CCCO1 1469867850 LUGLFMSAZOXTMP-KPFFTGBYSA-N 433.936 2.450 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)N[C@H]3CCc4cc(C#N)ccc43)nn2)C1 1478587157 JJQFIJRFLLFNKP-IBGZPJMESA-N 437.504 2.428 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)C1 1499880662 FMSMFTIPGMFPPM-LJQANCHMSA-N 447.547 2.362 30 10 IEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1507583047 MQPKGLUYPQPNPG-UHFFFAOYSA-N 435.532 2.051 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC 1507661211 PHPQHFSNELIEEI-UHFFFAOYSA-N 428.562 2.046 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC=C 1507662480 SJEULMOJXFZTLR-UHFFFAOYSA-N 426.318 2.473 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507723054 SDMVYBNPOQNEGK-GOSISDBHSA-N 449.559 2.485 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1507739870 VRDZBPYZKLXKEY-TYPHKJRUSA-N 443.592 2.343 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@H](C)C1 1507799791 KWVSQZHPPSUOJY-NRSPTQNISA-N 426.565 2.478 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2oncc2C1 1508148046 FLSWOVDOJGNYJC-SJLPKXTDSA-N 449.577 2.348 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1509947531 WENYHWCIXQGBMY-NUJGCVRESA-N 431.566 2.216 30 10 IEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512352694 DBCVGCUFBZKWLX-DBXWQHBBSA-N 449.559 2.433 30 10 IEEE CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1516999477 YPDADIXBDYRUKQ-LJQANCHMSA-N 432.532 2.098 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCCCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1519302477 BMSRGLHFIDTREC-UFVMTTLYSA-N 446.552 2.299 30 10 IEEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3cc(C#N)ccn3)CC2)cc1 1523471193 DBEGINMTKXCXAF-UHFFFAOYSA-N 428.514 2.416 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1525356500 IZXANOWDBNRPNF-AUUYWEPGSA-N 439.329 2.400 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(C)cc(C#N)cc3C)CC2)cc1 1532428650 SJYQRHYGEQPFKS-UHFFFAOYSA-N 439.537 2.453 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCN2CCCC2)CC1 1539084833 CUBDRKDYWZESGP-UHFFFAOYSA-N 428.581 2.009 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1539431032 OJXADUDYJWJFHJ-OFNKIYASSA-N 436.604 2.162 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 1539642346 QAHFHUVABAIPPY-KKSFZXQISA-N 429.496 2.304 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1539669070 KQVAFOZUNSUJIN-IBGZPJMESA-N 427.505 2.052 30 10 IEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1539939858 KZBHCSNUYVKSPD-NHCUHLMSSA-N 447.543 2.436 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1541116661 SLWBBLFVRUPVOR-HOTGVXAUSA-N 434.541 2.097 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1541803347 GPBTTZBYTKUXDK-NJAFHUGGSA-N 428.512 2.394 30 10 IEEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N(C)C)c2ccccc2n1 1542179274 AGWYJQLEOYRCBJ-INIZCTEOSA-N 441.561 2.432 30 10 IEEE Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1543196290 ZCRWCHUFHYJOFF-NCELDCMTSA-N 445.545 2.196 30 10 IEEE COc1ccc(COCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1554951045 GEHRTMCXNMLYHN-QFIPXVFZSA-N 444.511 2.474 30 10 IEEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cccc(CNc3ncccc3C#N)c2)cn1 1556603529 HZQOAHVPGOGGSY-NRFANRHFSA-N 443.511 2.333 30 10 IEEE CN(C)CCN(Cc1ccsc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1556963391 NUVSQROPOPTENR-UHFFFAOYSA-N 434.587 2.157 30 10 IEEE CO[C@@H](CC(C)C)CS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1561726343 BDBZMOIMFJXONU-IBGZPJMESA-N 431.562 2.461 30 10 IEEE COC(=O)CCCc1csc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1566277788 ITDHJPCHMKQTJG-UHFFFAOYSA-N 425.463 2.327 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)cc1 1566345457 BYUKJYNAOQQPIY-QGZVFWFLSA-N 437.562 2.411 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)c1ccc(Br)cc1 1569673404 HUNITBLHNZSJQN-OAHLLOKOSA-N 447.314 2.094 30 10 IEEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1570418107 GGCFGEFURODSEE-DLBZAZTESA-N 428.558 2.347 30 10 IEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O 1583498352 XPSATUAEKOMLOI-JOCHJYFZSA-N 435.488 2.277 30 10 IEEE C[C@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1585289915 ANUJSPYEJCKLSO-WAIKUNEKSA-N 426.517 2.022 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1588149654 ZRKWVYFTSFINTH-UHFFFAOYSA-N 444.514 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1cccc(C)c1 1588180388 DPQQYSAOXQPOQL-OALUTQOASA-N 427.574 2.463 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1588892055 WGOQLQKXKFZUNM-UHFFFAOYSA-N 432.569 2.199 30 10 IEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSCC1 1593735343 DEWYQZMVKYMPIH-UHFFFAOYSA-N 426.546 2.338 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(C)(C)C2)CC1 1594241277 LIQYQKZKUGEMFV-GOSISDBHSA-N 437.610 2.450 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1594839748 RYROOVQCBMNKOR-UHFFFAOYSA-N 426.521 2.052 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1614079394 DMYZQFGJOCIFSW-MOPGFXCFSA-N 438.532 2.259 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1619614965 SXYGCKBFRMZXMI-WOJBJXKFSA-N 428.512 2.102 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 1625675964 GGDZJMWOZFKZLF-IBGZPJMESA-N 428.533 2.319 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)/C=C/C(=O)c2ccc(C)cc2)ccc1OC 1626631611 JJGYKOGMOBBSPZ-PKNBQFBNSA-N 432.498 2.306 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1627445017 NJXHFWMHSJVHHE-OAHLLOKOSA-N 438.912 2.108 30 10 IEEE Cc1ccc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1633681392 CDKYNLAEYPDCPI-UHFFFAOYSA-N 437.349 2.231 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccnc2cc(C)nn12 1633937560 HTIBZACHWZJQML-OAHLLOKOSA-N 426.502 2.274 30 10 IEEE C#C[C@](C)(CC)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1636941932 WNZWIKOQXPEWGP-KSFYIVLOSA-N 428.558 2.463 30 10 IEEE Cn1nc(Br)c2c(=O)n(CC(=O)N(O)Cc3cccc4ccccc34)cnc21 1639075087 IQJFZGPIURZADK-UHFFFAOYSA-N 442.273 2.464 30 10 IEEE CN(CC(=O)NCCC1=CCCCC1)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1648416380 ZABZDDJOJSNFAM-FQEVSTJZSA-N 443.617 2.395 30 10 IEEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1649200899 ISZYOWQBBHPMMH-HXUWFJFHSA-N 445.401 2.373 30 10 IEEE C=CC1(CC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1651505995 KXQSOJMVCYPGBF-QRVBRYPASA-N 449.592 2.458 30 10 IEEE COC(=O)c1cc(C#N)c(=O)n(C[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)c1 1652584969 AWFPKOFJALACMQ-KRWDZBQOSA-N 431.489 2.313 30 10 IEEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1671601720 XPWYYTNNDNHKLN-QGZVFWFLSA-N 438.571 2.366 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccccc3C)c2)CC1 1675122808 FGRBRXMGNUNNCB-UHFFFAOYSA-N 428.514 2.404 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1C 1675443850 FTTMLZSLZZYENV-NRFANRHFSA-N 438.553 2.358 30 10 IEEE COc1ccc([C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 1685875487 SSPKHZOVCSFFHN-PEBVRCNWSA-N 442.335 2.098 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1689985924 FKWYPEPRXMULPN-KRWDZBQOSA-N 435.619 2.444 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690253396 PYJARDGHNONMEA-VWPQPMDRSA-N 432.613 2.012 30 10 IEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1690321961 PSZGUHNIIBWOEI-PKOBYXMFSA-N 434.562 2.339 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1690515237 IHXAURNZQFEQOG-DLBZAZTESA-N 448.593 2.046 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1690578010 PUZUQYOOBZRVST-KRWDZBQOSA-N 431.562 2.285 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1690712562 YNSKWEOUZUZWGE-HSALFYBXSA-N 432.496 2.317 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690749785 PLYCEQBYPFGRHP-OAHLLOKOSA-N 446.543 2.393 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1690997501 KVFPGYKTAJYSOT-OAHLLOKOSA-N 427.534 2.028 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N(CCC#N)CC2CC2)n1CCn1cncn1 1696846959 OWJZVTVKQXEAJA-UHFFFAOYSA-N 444.341 2.468 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705497217 WHFCRYGYZAUTHN-NQIIRXRSSA-N 440.567 2.409 30 10 IEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1705573204 BONIQMPWUGLZNZ-KRWDZBQOSA-N 441.919 2.003 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1705612883 RGMOKSQWOJECFN-QGZVFWFLSA-N 428.558 2.380 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1705704191 RFUDTKGCCIERNL-AZUAARDMSA-N 443.596 2.207 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2COCCO2)C1 1705915381 UFJFLXDXFVNLBG-PMACEKPBSA-N 441.532 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 1705937683 BGTXOOQZYHFPSN-HNNXBMFYSA-N 440.953 2.336 30 10 IEEE CC(C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706202501 ZGBLMRJFRNLVDC-UHFFFAOYSA-N 425.880 2.299 30 10 IEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1706709321 ZJIASYXOMHYOCP-ZWKOTPCHSA-N 427.461 2.268 30 10 IEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CC1 1706912922 AZUIOGQVHFLZLY-XGODZNJDSA-N 433.509 2.197 30 10 IEEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCN/C(O)=C1\N=CC=CC1=O 1711940604 DLRFFEORIHPHDL-RLBWVDARSA-N 435.488 2.218 30 10 IEEE COCCOCCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712617220 XMSWWCLGWZROCO-UHFFFAOYSA-N 447.543 2.197 30 10 IEEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCOCC(F)F)cc1 1712879577 FYIFXLPEFAZFQV-NRFANRHFSA-N 430.459 2.347 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722387633 OGFJSXXMJZUFRH-QTEQDKRBSA-N 447.539 2.128 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1722402811 FTZLUAHKNYZPIL-UHFFFAOYSA-N 445.527 2.270 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCC(=O)NC 1722451920 JZYZIUYDWFHNBJ-UHFFFAOYSA-N 439.383 2.365 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722463316 XVKSSVNVRNVACF-QGZVFWFLSA-N 430.603 2.337 30 10 IEEE CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1728361619 ADXNDLWETMDSRY-UHFFFAOYSA-N 448.531 2.361 30 10 IEEE CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1728511209 AIJAMZCGBMXNJH-MRXNPFEDSA-N 425.537 2.047 30 10 IEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)C1 1729777126 AZZDINRKSQWKAY-MRXNPFEDSA-N 438.513 2.427 30 10 IEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCSc2ccccc2)CCO1 1731187491 QYHREWZPZYTJPX-KRWDZBQOSA-N 426.546 2.312 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1740592387 WWRZCJLMYPMFMG-SFHVURJKSA-N 443.573 2.285 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1740650964 UZKDVFWWFKZXSZ-FQEVSTJZSA-N 435.528 2.340 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1740653357 JXUBQWGSSLBASC-RTWAWAEBSA-N 434.544 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCN(CCc3ccccc3)C2)CC1 1740705501 HPIPWWQYTIAULB-QFIPXVFZSA-N 448.615 2.371 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1740714449 YUAFRANFJBFDGZ-QFIPXVFZSA-N 441.557 2.045 30 10 IEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](OC)C2)cc1 1740967242 AKCQUMDHQCOJSM-HKUYNNGSSA-N 432.546 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)C1 1740985698 SZVCCHGQYHIVHV-JKSBSHDWSA-N 432.496 2.317 30 10 IEEE CC(C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1741369263 YNARJNFZDJUWIV-QGZVFWFLSA-N 425.537 2.047 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1741807197 HKOBCPHCURXLKC-AWEZNQCLSA-N 437.529 2.008 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C[C@@](C)(O)CCOC 1744688737 CKERNWONXVCYFB-DEOSSOPVSA-N 449.559 2.374 30 10 IEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](OC)C2CC2)cc(OC)c1OC 1748524061 FIWGBADLAFHANI-APWZRJJASA-N 443.504 2.125 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748809735 PNDQVVKAWJLYSG-FQEVSTJZSA-N 429.590 2.302 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1Cc2ccccc2O1 1748970894 WMZQMMSWHJEABA-ZJOUEHCJSA-N 426.517 2.092 30 10 IEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(CC)(CC)OC)CC1 1748994707 OALYKDRZEMLKLL-UHFFFAOYSA-N 444.605 2.230 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C)cc2OCCOCC)CC1 1749004128 FKJRJNWTSGOVHL-UHFFFAOYSA-N 439.560 2.324 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749293574 BUJLEEHQGZYAOV-LJQANCHMSA-N 440.928 2.444 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749370740 QLKQXEYNJFLTGM-SFHVURJKSA-N 449.563 2.398 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1749532867 YUWVPWSSRFUTAW-PGRDOPGGSA-N 438.557 2.161 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1749651004 LSTLOUKPKMOZBM-GOSISDBHSA-N 438.576 2.294 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCn2cnnn2)C1 1749699566 BMVBNGOEKFRNNF-INIZCTEOSA-N 444.927 2.465 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCO1 1760208707 YKDXYXRSTFVGNP-OTWHNJEPSA-N 425.533 2.467 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)ccc1OC 1760244107 XWHCGYITWRPRBH-UHFFFAOYSA-N 431.924 2.310 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCCCC1 1760249249 YDEFXUDSEACEMF-SFHVURJKSA-N 442.564 2.214 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](COC)OC)CC1 1760267746 YFENMACYRRGQNS-LJQANCHMSA-N 445.951 2.226 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2sc(C)nc2C)CC1 1760271684 GWZBQNARGBZRFI-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760273875 BUNOOZMQVANOGQ-CVEARBPZSA-N 425.624 2.271 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1760356192 HWRCMUNLNMDURT-LJQANCHMSA-N 446.502 2.427 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760502784 LUMCHFRXZRVETJ-IEBWSBKVSA-N 448.593 2.116 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760510093 FUYNYLSYFYNOEQ-LBPRGKRZSA-N 434.547 2.103 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1760531123 DKNYOGSPCQAIFB-NFBKMPQASA-N 439.516 2.272 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760538443 DSGDLZJKZLSKDZ-IRXDYDNUSA-N 444.923 2.368 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)CN(C)C2=O)C1 1760539388 NHWBDNJWWJTEDR-UWJYYQICSA-N 426.477 2.113 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)C)nc2)C1 1760550329 WPFKNWGBWNHKJY-IBGZPJMESA-N 440.548 2.412 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C)CC1 1760557691 UBQSPLPHWXWBOC-UHFFFAOYSA-N 429.590 2.466 30 10 IEEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)CC#N)s1 1761858308 JUXCBZCCFXAPKI-UKRRQHHQSA-N 438.579 2.216 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCCCCO)CC2)c1C#N 1762400335 RIWBMXBWMWGOCP-UHFFFAOYSA-N 437.552 2.066 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)CC1 1768464032 FBBXDLPXLCXQBR-UHFFFAOYSA-N 431.491 2.072 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1769845002 FVVLNTLXMZYBFS-IBGZPJMESA-N 436.520 2.086 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1cnnn1C 1769979458 WLUFVCJOFFUUDE-QGZVFWFLSA-N 448.531 2.344 30 10 IEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C[C@H]1OC 1770298030 CNRBIJHMNURCBQ-KDURUIRLSA-N 438.463 2.280 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1771110650 UKNZRQFLKMXSBF-OAQYLSRUSA-N 443.939 2.371 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2ccncc2)nnc1N1CCC(C#N)CC1 1771238323 DMWZOYWCBGWWND-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1771276739 KKLDOXKWXLCQBG-QUCCMNQESA-N 440.548 2.065 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1771348540 WZKJRTSNYJUSQG-QGZVFWFLSA-N 429.546 2.257 30 10 IEEE CS(=O)(=O)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1 1771353929 AUHVHFJAOUPIEA-UHFFFAOYSA-N 441.561 2.081 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC(F)(F)F 1772516488 VJQPBPHHQFYTEJ-UHFFFAOYSA-N 433.434 2.307 30 10 IEEE Cc1nn2c(C)c(C(=O)N3CCN(Cc4cn5cc(Cl)ccc5n4)CC3)cnc2c1C#N 1851660481 AUMIPRLMVVORGK-UHFFFAOYSA-N 448.918 2.477 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C(=O)C12CCCC2 1854428203 ZFNMXCCRVLQCGL-UHFFFAOYSA-N 443.447 2.085 30 10 IEEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)C1 1854881047 ACEQGEDRSSIMQO-ZFWWWQNUSA-N 428.386 2.214 30 10 IEEE CCOc1ccccc1CCC(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1855026865 CTYFHEKEQNVKLK-GOSISDBHSA-N 430.482 2.437 30 10 IEEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)OC1=O 1855760293 TXYJABGJIIRNGB-LJQANCHMSA-N 431.514 2.227 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)OC1=O 1856175367 OAQQLNGEQZZSJC-HNNXBMFYSA-N 445.419 2.367 30 10 IEEE CCCCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cccn(CCC)c1=O 1861284710 PZSPVRZBVSHDJN-IBGZPJMESA-N 434.581 2.489 30 10 IEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F)c1cccc(O)c1 1862591443 ZEZJNRCVIMFZPA-HXUWFJFHSA-N 426.444 2.442 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccccc2C(=O)O)cc1F 1862640475 PFCTZPJKRRPNJZ-ZMZPIMSZSA-N 429.400 2.492 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1F 1862647248 ZIJYCJSTQJDMQU-GOSISDBHSA-N 447.415 2.128 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCOC)c(C)cc2=O)nc1C 1870087705 DSLKWNSOFQTJMU-UHFFFAOYSA-N 435.502 2.318 30 10 IEEE NC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc(Br)ccc1F 1874444596 GIMAQNFIMFCBID-WOVPGWDMSA-N 428.287 2.491 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 1890221656 TWLIDCWFLFCKPX-UHFFFAOYSA-N 446.523 2.385 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1963795276 MEVGHTHEFFIRFN-QVKFZJNVSA-N 427.542 2.334 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 1984781003 PGHMRBLFRZSZQH-ZUOKHONESA-N 427.498 2.036 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677233 DRFAZMZJXDLLBO-HOTGVXAUSA-N 447.341 2.249 30 10 IEEE N#CC1(CS(=O)(=O)NC2CC3(C2)[C@H](NC(=O)OCc2ccccc2)C3(F)F)CC1 2142147324 VRKOGZRVRNAIHY-CSLYMUCUSA-N 425.457 2.302 30 10 IEEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)Cc1ccnc(C#N)c1 2195272590 YXUQEWSYJOCBDW-KRWDZBQOSA-N 431.470 2.026 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247832067 JKOJUHIDXAJMGI-UHFFFAOYSA-N 437.371 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2255619982 UVRHSECFXVTBAA-QEOTZNIISA-N 436.358 2.155 30 10 IEEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255626603 HZLDIKQWGVRKPT-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CC[C@@H](CN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255650634 QGVFWMBNUIAXDN-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267143216 FGJQAPQEUHQQFH-HIFRSBDPSA-N 448.373 2.378 30 10 IEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@@H](CN(Cc5ccccc5)C4)C3)[nH]n2)OC1(C)C 2267147783 XEBSSRJXBIPULE-OALUTQOASA-N 436.365 2.303 30 10 IEEE C[C@H]1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2267173041 GCSWSJPODDDRCQ-HOCLYGCPSA-N 446.357 2.294 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)n1 2267499001 OPISCVSDCVRZNR-UHFFFAOYSA-N 438.381 2.456 30 10 IEEE Cn1cc(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516804 JBLALEUEOMNJKU-HNNXBMFYSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267517689 WYOOTGHZIPFYMZ-CQSZACIVSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1O)C2 2267811504 OLHJQDMULBITRM-UHFFFAOYSA-N 444.337 2.384 30 10 IEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCOC1 2272569258 NQJVOFHNCGVRJS-MRXNPFEDSA-N 447.341 2.345 30 10 IEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@@H]2C2OCCO2)OC1(C)C 2282492865 TYBRUWXZOATDLE-OAHLLOKOSA-N 443.758 2.165 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203407 XNKWFNRUZNRDOR-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 2337208637 NGDNJGMMQSXLLN-UHFFFAOYSA-N 448.373 2.096 30 10 IEEE CCOC(=O)CSc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 20424500 PXGYPRKSGIQWMC-VXLYETTFSA-N 431.478 2.148 30 10 IEEE CC(C)(C)OC(=O)N(C[C@@H]1C[C@H](S)CN1C(=O)OCc1ccccc1)S(N)(=O)=O 40433852 QQSZFCYKQUSUKB-GJZGRUSLSA-N 445.563 2.137 30 10 IEEE FC(F)(F)c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 252612251 IQYRVSWMSDXHFR-UHFFFAOYSA-N 437.426 2.010 30 10 IEEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 460789770 BEHVPCMKGWUEGV-UHFFFAOYSA-N 438.469 2.297 30 10 IEEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2C[C@@H]2CCCO2)c1 480179415 HECIHXZXZBWAEK-FQEVSTJZSA-N 446.528 2.483 30 10 IEEE CCOC(=O)c1c(NC(=O)NC2CCN(c3ccccn3)CC2)c(C#N)cn1CCOC 481379701 XNPDTQAYLZRARB-UHFFFAOYSA-N 440.504 2.368 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCC(C(=O)NCCCN3CCCCC3)CC2)c1 487846528 VAZOXGQZZCJUEQ-UHFFFAOYSA-N 446.617 2.036 30 10 IEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 515662430 CEKFUAPCGGREPQ-UHFFFAOYSA-N 449.495 2.307 30 10 IEEE C=CCN1CCC(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 519733949 KZHMAQOJVHLOMD-GNWGRXFHSA-N 445.563 2.232 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2ccccc2)c1=O 523744395 HMMUSRNXMJKZOO-FXAWDEMLSA-N 439.581 2.144 30 10 IEEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)C[C@H]1CCCO1 549216389 LEAGPINGBPYIMQ-OAQYLSRUSA-N 438.576 2.427 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 558718528 WVQAJYQPOZRXFN-MRXNPFEDSA-N 428.432 2.380 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)Cc1cn(C)nn1 574846568 LEZNVURWVUUMKH-UHFFFAOYSA-N 433.520 2.406 30 10 IEEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1 585827462 APNPSVMNDDYDSM-AJKUUOFVSA-N 435.524 2.334 30 10 IEEE N#Cc1cccc(C(=O)N2CCC[C@@H](NC(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 586021132 VQBILGFUZGXCPQ-LJQANCHMSA-N 444.491 2.355 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccccc1C 603799300 JJMXOKKELHPTJX-UHFFFAOYSA-N 431.517 2.021 30 10 IEEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609029542 JGYSNCNHDFCBSR-DNVCBOLYSA-N 440.573 2.323 30 10 IEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 609161598 QNJKPSDMMSSJLD-LJQANCHMSA-N 425.855 2.477 30 10 IEEE N#Cc1cc(Cl)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(Cl)c1 615487791 BUZNYMAPGJKSMH-UHFFFAOYSA-N 439.324 2.475 30 10 IEEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 618827768 PSEINBCTTVTKQW-QZNHQXDQSA-N 429.524 2.444 30 10 IEEE C[C@@H]1[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1Cc1ccccc1 619588036 MNXKRMXLLPXEHJ-DYESRHJHSA-N 432.528 2.411 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)cs1 679755167 MSVAYDZYSCDWOC-INIZCTEOSA-N 443.594 2.370 30 10 IEEE C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)n1ccc(=[N+](C)C)cc1 728042288 QTJSWEOKKUOTLU-CQSZACIVSA-O 425.534 2.226 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1csc(I)c1 730918837 HKIVZGDUZDIORV-UHFFFAOYSA-N 432.264 2.484 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 749790296 BIHUCPPRBKWGDJ-MSOLQXFVSA-N 436.553 2.250 30 10 IEEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)s1 772896217 CJHLPGMPURNSKG-HNNXBMFYSA-N 445.610 2.472 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)n1 782811522 SPOHHXDKOSCKFK-MRXNPFEDSA-N 445.813 2.464 30 10 IEEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(C#N)cc1 785407369 IYUMYEMGIUOIQY-LJQANCHMSA-N 444.465 2.119 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CC[C@@]3(CNC(=O)C3)C2)c1=S 788384339 XLCIEGXUYJVQOJ-DYESRHJHSA-N 427.530 2.282 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360959 QVIRFWWPWZBHFH-UHFFFAOYSA-N 430.533 2.237 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@H](COc3ccccc3)C2)C1 790487195 SBNUMVCTAXPMHR-WDSOQIARSA-N 430.505 2.235 30 10 IEEE C=CCOC(=O)N1CCC(OC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 790843237 SGRSCWGCVQFVAP-BBWFWOEESA-N 438.546 2.223 30 10 IEEE COC[C@@]1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 796213065 UZQMDQFRUZULLD-IBGZPJMESA-N 427.498 2.392 30 10 IEEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 806271031 MBFKMKBNYCXJAN-LJQANCHMSA-N 444.532 2.049 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(CO)c2cccc(O)c2)cc1 808820129 VQLOJXKKSDHDNI-GHIWRQRASA-N 446.529 2.234 30 10 IEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2ccc(=O)n(C)c2)no1 809478805 YURCBHMKLDPKHL-HNNXBMFYSA-N 427.486 2.261 30 10 IEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 812179194 KIYJDTTVXUMSMD-HZPDHXFCSA-N 435.525 2.162 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 812353134 GYEXPPYFXQRSPJ-QGZVFWFLSA-N 434.901 2.270 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 911566431 DQQKHHJZSLYAFN-JCEOMHIDSA-N 431.533 2.414 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3c(CC#N)cccc3C2)CC1 1131775280 XFZJCWMUAQTHGA-UHFFFAOYSA-N 442.541 2.343 30 10 IEEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n[nH]c1C1CC1 1151260050 HMVYSYWBILMDMF-UHFFFAOYSA-N 435.456 2.476 30 10 IEEE COC(=O)[C@H](CC1OCCO1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1175169797 PDBQHBZMUFIGDT-INIZCTEOSA-N 435.908 2.239 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1c2ccccc2C[C@H]1C 1227630393 AXPFFSYHZFWSRD-LLGFUMIMSA-N 445.523 2.325 30 10 IEEE C=CCOc1ccc(CC(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1271164192 UOXZTKSCLIRDOO-QFIPXVFZSA-N 425.533 2.131 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)C(C)C)c1 1286308778 CSYQMYKDCOFPKL-HSZRJFAPSA-N 435.532 2.142 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(O)CCCC2)c1 1286309492 LCUDQFFWTJRGRZ-UHFFFAOYSA-N 431.500 2.096 30 10 IEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286315768 ZMBJKRKSIUGMHW-QZTJIDSGSA-N 433.582 2.038 30 10 IEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286323620 KIEVAJUOGFDIEM-LJQANCHMSA-N 435.576 2.241 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286383778 FQXCRERVEZCLMA-IBGZPJMESA-N 435.638 2.467 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1286391829 DYRGAGZMGQCIGL-SFHVURJKSA-N 441.582 2.309 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1286426211 NZMBJVCUAPOPPJ-OALUTQOASA-N 444.539 2.206 30 10 IEEE C=C(C)Cn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286599125 LIEKHDSTIPIQDO-VXKWHMMOSA-N 430.553 2.380 30 10 IEEE C=C(C)COCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1286614439 RTMSNVVTBJVEBW-UHFFFAOYSA-N 426.569 2.409 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1286759005 YDBWTHFLUVHWIB-IBGZPJMESA-N 449.552 2.285 30 10 IEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(F)(F)C2)cc1 1286794768 QMYSFTIHYPVMAY-AWEZNQCLSA-N 441.504 2.347 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1 1286814697 DVIAJFZYMCMGRI-UHFFFAOYSA-N 435.506 2.069 30 10 IEEE C[C@H](CC#N)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1289807232 ACXDWALXSCQWLL-GFCCVEGCSA-N 428.898 2.409 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 1289964990 MTGLBVQROWCWKP-UHFFFAOYSA-N 448.451 2.252 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2Cc2ccc(C#N)o2)n1 1290598637 ISLPSCHENKYTBE-UHFFFAOYSA-N 444.499 2.388 30 10 IEEE CC(C)C(=O)N1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1292780039 VPELBQNNAYALNF-FRIYVGAWSA-N 432.565 2.490 30 10 IEEE CCC[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1293844908 ZEWMDCSJYNTENU-SVQXRNPESA-N 448.568 2.329 30 10 IEEE CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1295189469 HIWIZQMWVOJYOP-VZCXRCSSSA-N 438.536 2.364 30 10 IEEE C#CCCCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@]1(OCC)CCOC1 1300375728 BOJIPNFKYZIUBM-QFIPXVFZSA-N 427.553 2.242 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc(C)cn1 1300509854 XFGMOOLYAGBXGZ-UHFFFAOYSA-N 435.919 2.139 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1300666145 XBLYJAGJVYDTCY-HSZRJFAPSA-N 446.555 2.500 30 10 IEEE CO[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1300773490 GIVQLLDFISYWEM-SGRLSNSRSA-N 428.537 2.152 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1300897025 MWZWAKGCJYQAOL-GKAYAJSDSA-N 448.564 2.301 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301258288 PBGWWERXTWPCIV-IBGZPJMESA-N 443.523 2.363 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CN2CCCCCC2)CC1 1301496811 HFJJRKAXEGDDRT-UHFFFAOYSA-N 438.580 2.130 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301506305 IPEIIEHKPNMXOS-OXQOHEQNSA-N 425.533 2.183 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)(C)C)C1 1301566516 QCMRFBROQQJIOW-GOSISDBHSA-N 429.569 2.226 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC2(C(N)=O)CCOCC2)C1 1301567706 YORZYMLPTLEVFC-HXUWFJFHSA-N 439.560 2.127 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCNC(=O)C1CC1 1303353308 DBSROHGQFQZQPB-UHFFFAOYSA-N 447.543 2.108 30 10 IEEE C#CCN(C(=O)CCc1nc(-c2ncccn2)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656437 XTYNWTZMYJRJGN-UHFFFAOYSA-N 440.504 2.321 30 10 IEEE C[C@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCCOC(F)F)C2 1303996125 KHUARXUSPVMRRR-FQEVSTJZSA-N 432.431 2.477 30 10 IEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CCOCC2)n1 1304484326 DLGPWAAXEJVADK-LJQANCHMSA-N 426.521 2.211 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCCOCC(C)C)CC2)c1C#N 1304731245 NQBCNSDSZBUHDT-UHFFFAOYSA-N 426.569 2.458 30 10 IEEE CCCNC(=O)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1313500018 KHDAFFLGPKQVBU-HRCADAONSA-N 433.557 2.171 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)CC(F)(F)F 1314861586 BHBOGUWHOZXSRN-IRXDYDNUSA-N 447.465 2.026 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1353157807 KKMHKPPQFAFYNF-WMZOPIPTSA-N 443.548 2.458 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1358924711 GEMXQNQPJUASSR-AUSIDOKSSA-N 445.571 2.219 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCN(CC)CC1 1358973107 FXNYRXMZGREMQZ-LJQANCHMSA-N 439.995 2.340 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359048422 QIMLARGETHCJKE-QGZVFWFLSA-N 449.540 2.345 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359054768 GSMLTJAQPGVQSU-UHFFFAOYSA-N 434.451 2.337 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1359232282 QRCIUOQQDQDDNL-OAQYLSRUSA-N 434.562 2.145 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCSC1 1359278154 KBFAZCYAXDXDGZ-OAQYLSRUSA-N 431.562 2.097 30 10 IEEE C#CCN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)[C@@H]1CCOc2ccc(Br)cc21 1360310620 JGWORBRKGXUDGS-CRAIPNDOSA-N 441.347 2.206 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)C(F)F)c2)[C@H](C#N)C1 1435453733 CCYXLYHEWPHOFE-CYBMUJFWSA-N 429.445 2.268 30 10 IEEE CC(=O)N[C@](C)(C(=O)N(C)CCc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1438636819 QNPHTAXRBJPPST-QFIPXVFZSA-N 427.526 2.014 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1446135147 BRWAUZAGJFEVIC-IXDOHACOSA-N 428.537 2.278 30 10 IEEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Br)c(C#N)n2)C1=O 1461105382 PFPMHAGHCPFMFZ-GOSISDBHSA-N 446.236 2.261 30 10 IEEE COc1ccc(C(=O)NCCN2CCN(C(=O)Cc3c(C)cc(C#N)cc3C)CC2)cc1 1464943457 ATIJSCPFQDRTPV-UHFFFAOYSA-N 434.540 2.300 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(OCC)n3)CC2)c1 1464943676 RELKYNVMQZGCQV-UHFFFAOYSA-N 427.526 2.240 30 10 IEEE C#CC1(O)CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 1470366140 LMRGCTJZGJPJCL-SFHVURJKSA-N 444.532 2.342 30 10 IEEE C#CC[C@H](CCOC)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1470734517 NEOLJEKTCVAEGB-GOSISDBHSA-N 444.509 2.052 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)NC(=O)C2 1471771750 GPAMKFNCCHTNGZ-INIZCTEOSA-N 426.498 2.417 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNc1ccc(C)cn1 1472010299 AHYPXWQUTGSUKC-QGZVFWFLSA-N 429.546 2.216 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(-n3ccc(C(=O)OCC)n3)c(F)c2)C1=O 1476969298 IRJOMEHAECZLNW-SFHVURJKSA-N 429.452 2.439 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507711464 CNJKKZHYFLLSKQ-OFNKIYASSA-N 425.533 2.078 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](C)[C@H](OC)C1 1508143039 CRIWSCAIIIDSJW-QFBILLFUSA-N 436.553 2.470 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1508148359 RUQQUCMZDVNOGN-WOJBJXKFSA-N 446.573 2.178 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1509061254 LKBFBDATRPCHMS-GFGLJSBJSA-N 428.537 2.181 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1509947963 XFTDDNSOXOZHPD-MRXNPFEDSA-N 442.545 2.293 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1510074766 AOGVTYAKMSTMMU-QAPCUYQASA-N 444.923 2.250 30 10 IEEE CCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCOCC1 1513623096 BQMJNRAZOPCWKX-XMSQKQJNSA-N 433.553 2.254 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)C1 1516023735 MUSGYXZHHYQUDU-QGZVFWFLSA-N 434.591 2.088 30 10 IEEE COC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1518729100 NWNGYRJZTLYMHU-GOSISDBHSA-N 427.553 2.121 30 10 IEEE N#CCc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1 1530268746 KUPOWHNOHRTNBD-SFHVURJKSA-N 439.493 2.006 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539220851 VOZFDBKXAMSDTN-LJQANCHMSA-N 435.638 2.368 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCn2ccnc2C)CC1 1539475795 OJQLKGHBZFTNJI-UHFFFAOYSA-N 435.507 2.255 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539511453 XJMVDDNJURTJEK-IBGZPJMESA-N 426.590 2.173 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCN(CC)S(C)(=O)=O)CC1 1539891631 HGRGSYSWDZROEK-UHFFFAOYSA-N 432.594 2.338 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1)C1CC1 1540099052 QDFKIQKEMOGERT-MUUNZHRXSA-N 434.587 2.415 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn(CCc4ccccc4)n3)CC2)cc1 1540728375 DTWXKZABJDIHNI-UHFFFAOYSA-N 449.536 2.144 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1540895653 WQJOXZPFJMMKSH-CVDCTZTESA-N 425.533 2.425 30 10 IEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1541698279 FMMLHAQMCAWCGW-UHFFFAOYSA-N 449.559 2.323 30 10 IEEE CCCCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1542208457 ZEDTTZXBRXMWMG-GOSISDBHSA-N 426.579 2.453 30 10 IEEE C[C@H]1COCCN1CCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1545127132 FCKDJWORFGNTRU-IBGZPJMESA-N 437.592 2.495 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1547701943 NCMLCJQFVXFILD-VIZSFHNOSA-N 429.613 2.328 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1554320129 LFHHXIFOEDBUOP-OAQYLSRUSA-N 437.592 2.458 30 10 IEEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1555461788 HGTQHVQFVWNOGD-UHFFFAOYSA-N 448.531 2.220 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1561449803 YPOLIBGGGXQBMZ-UHFFFAOYSA-N 431.205 2.263 30 10 IEEE O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NCc1ccc(C(=O)NO)cc1 1568181064 FWJGCYARXBCQBU-UHFFFAOYSA-N 430.404 2.001 30 10 IEEE C#CC[C@H](NC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1)C(=O)OC 1570221773 VVFLBVVEACGJAB-GXSJLCMTSA-N 427.242 2.385 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 1570512331 CAZWWNIGIMKLRE-SJLPKXTDSA-N 435.546 2.232 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1587827734 WPVAURUUFFDHMR-UHFFFAOYSA-N 425.917 2.233 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1587940136 MYEAHRZDIVAKMQ-UHFFFAOYSA-N 439.994 2.047 30 10 IEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)N(CC)CC 1587975256 UQGDAHSJMRZQGG-UHFFFAOYSA-N 449.559 2.393 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1588159176 RFMFFQJAPLWGLA-SFHVURJKSA-N 443.511 2.327 30 10 IEEE C#CCSCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1C(C)(C)C 1589125573 LPEZRSYONQCKKD-INIZCTEOSA-N 429.594 2.340 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593844639 DDIFCGPFRUIUBK-ZDUSSCGKSA-N 436.303 2.219 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](F)COC 1595133670 KJPWDZKNOHGUJO-SJORKVTESA-N 440.516 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccccc2)CC1 1595759961 HYEROUFZLDMPGJ-UHFFFAOYSA-N 445.589 2.401 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1595798026 LKZSWKJPDBMJJN-UHFFFAOYSA-N 436.607 2.238 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1596951718 NTZWIOAYVPTWQI-DLBZAZTESA-N 438.488 2.093 30 10 IEEE N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1597102657 LAKOWIGZAUGTQG-QGZVFWFLSA-N 440.481 2.456 30 10 IEEE C=CCc1cc(CNC(=O)CSc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 1598112087 XELPOKBGONKPBV-UHFFFAOYSA-N 436.555 2.488 30 10 IEEE CC[C@@]1(C)CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1613711126 DOWRJBYDQPSDSH-AQMPTVPWSA-N 428.537 2.467 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1614355201 DFCXKMXZYJVCNT-OAHLLOKOSA-N 437.548 2.318 30 10 IEEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)C2)CC1 1615875109 BVPFFQXVGQRLLZ-QFIPXVFZSA-N 437.592 2.458 30 10 IEEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 1617170894 FDAXLSIXPVQUPL-OAQYLSRUSA-N 446.577 2.362 30 10 IEEE Cn1ncc(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)n1 1618486555 CWYWNQGIYUDMHC-QGZVFWFLSA-N 444.446 2.037 30 10 IEEE C[C@H](c1cccc(C#N)c1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1618725908 FAOQUSZTDHXJBK-QGZVFWFLSA-N 444.532 2.223 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1620348929 BWCVFLSFPJOCMK-INIZCTEOSA-N 447.465 2.027 30 10 IEEE C[C@@]1(CO)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c2ccccc2O1 1620475459 AKRRNJQGZWZOOA-AVRDEDQJSA-N 426.542 2.107 30 10 IEEE CNC(=O)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 1628388521 MQAFYLLBBHCTEC-QGZVFWFLSA-N 446.429 2.028 30 10 IEEE CO[C@](C)(C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1634947613 VKMZEHKBZQXZKS-HSZRJFAPSA-N 441.532 2.430 30 10 IEEE C#CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCOCC1 1635116898 PHNKNBDRNNCXJA-INIZCTEOSA-N 440.949 2.100 30 10 IEEE CCN(CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CCC(F)(F)F 1638458287 YIQYSTXJYDGGAQ-MRXNPFEDSA-N 439.438 2.154 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(F)cccc2-n2cccn2)s1 1640849620 LDOOLYOVFICLAM-UHFFFAOYSA-N 434.518 2.396 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1652520634 AOKJZNBCOGRXPR-KKSFZXQISA-N 441.465 2.184 30 10 IEEE C#CC(C)(C)N(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1654133887 SMHNTHZBSKJTRK-BOPFTXTBSA-N 445.566 2.076 30 10 IEEE COc1ccc(NC(=O)CN2CCc3c(CC#N)cccc3C2)cc1S(=O)(=O)N(C)C 1654411432 BBDSJNJJSVLKGI-UHFFFAOYSA-N 442.541 2.008 30 10 IEEE CCOC(=O)c1sc([C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)nc1C 1654667801 LLOYKXKLSGIJIK-ROUUACIJSA-N 447.605 2.110 30 10 IEEE C#C[C@H]1CCCN(CC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)C1 1654867990 OSYIOXXHXPSVDX-SFHVURJKSA-N 437.544 2.210 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1661916163 XUJCHEKFKVCADO-GOSISDBHSA-N 444.550 2.116 30 10 IEEE COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1c1ccc(Br)cc1 1662631196 DGFHHAFGXBBLPA-LSDHHAIUSA-N 439.287 2.491 30 10 IEEE CC(C)n1c(S)nnc1CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1674005154 JBENSMLNRHQSIT-UHFFFAOYSA-N 427.578 2.479 30 10 IEEE C=CCN(C(=O)Nc1cc(Br)ccc1C1=NCCO1)[C@@H]1CCS(=O)(=O)C1 1680457388 YGFDWARIWXHJMW-CYBMUJFWSA-N 442.335 2.433 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)C2)c(=O)nc1O 1681887133 FMVZNBGETIMVQF-NNUKFRKNSA-N 433.390 2.352 30 10 IEEE Cn1cc([C@H]2CSCCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1682226064 BINGSSNVMWCRLY-WOJBJXKFSA-N 438.557 2.282 30 10 IEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 1689996784 OFLGFEZXIJRXCK-SFHVURJKSA-N 441.557 2.165 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)NCCC 1690095820 DLYDLPNEAJSZSO-UHFFFAOYSA-N 440.367 2.381 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cccc(F)c2F)CC1 1690111947 NEXQMSQLJSOWFH-KRWDZBQOSA-N 433.503 2.278 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690506352 LCXMYPZGQCQGMD-FQEVSTJZSA-N 428.581 2.425 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1690508565 LFJNKHDKQZYXHK-KRWDZBQOSA-N 433.582 2.251 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)c2cccc(O)c2)o1 1693112141 JYNSVEADYXWSJM-GOSISDBHSA-N 436.472 2.101 30 10 IEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1705569180 DIFISVXEJNWCRU-WMZOPIPTSA-N 449.527 2.326 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)N1CCOCC1 1705631249 YAABZZGFYFKMRP-RBUKOAKNSA-N 445.589 2.351 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1705897295 JUPSPNGNNHMQKE-HZPDHXFCSA-N 442.568 2.237 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1706074616 BJYYFGQQYSYFPY-NVXWUHKLSA-N 445.568 2.267 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccsc1 1706621179 JOKHOXOPHZTBES-UHFFFAOYSA-N 436.545 2.119 30 10 IEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722359196 JHSQRSGUPBLJMA-PMACEKPBSA-N 437.525 2.136 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCCNS(C)(=O)=O 1722418612 WTVGCSPCELJGNY-UHFFFAOYSA-N 442.520 2.058 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722424288 IPHOZFPQYRPMPQ-UHFFFAOYSA-N 441.532 2.325 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722590731 IOQOZMDBZGYZBU-IAGOWNOFSA-N 425.599 2.150 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722592669 XPYIAPPZXOYBLA-ROUUACIJSA-N 437.610 2.389 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)OC(C)(C)C1 1722729630 RKINBNZMMAQEIZ-QGZVFWFLSA-N 448.589 2.482 30 10 IEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722740856 UFEFRGWTRZCSIU-KRWDZBQOSA-N 443.639 2.205 30 10 IEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C1 1722828519 DQZXCVBGXFKPPY-FQEVSTJZSA-N 432.532 2.456 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1722866446 BEDYRDMYVICCIQ-ZIFCJYIRSA-N 442.589 2.227 30 10 IEEE COC[C@@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1730493925 PYZPZFFXCRXXIK-FQEVSTJZSA-N 435.507 2.447 30 10 IEEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1730679678 GVUXPPSOXVBHDH-FQEVSTJZSA-N 438.532 2.277 30 10 IEEE CSCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cc1 1731085253 CCQIYHYFOFEAEU-HUUCEWRRSA-N 436.607 2.395 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1740547740 AXFRXSVACOLNHM-HNNXBMFYSA-N 433.516 2.310 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740621909 QDAYSIGZYVXJCB-GOSISDBHSA-N 445.589 2.260 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1740628625 ZDXBGRHYCFAIFF-YLJYHZDGSA-N 436.965 2.028 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1740664232 JJHYCXLLXPRLEX-QGZVFWFLSA-N 438.557 2.267 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)cs1 1742589215 BQIKMKMGFJAUDN-MRXNPFEDSA-N 437.520 2.092 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1747666050 JZXMLXZWVFCPLT-UHFFFAOYSA-N 439.564 2.330 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748809738 PNDQVVKAWJLYSG-HXUWFJFHSA-N 429.590 2.302 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748824778 SXHZSMWCLDUMEF-OALUTQOASA-N 446.573 2.217 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(c2ccc(F)cc2)CCOCC1 1748852159 YGPNOEUJSPCNRO-UHFFFAOYSA-N 449.530 2.361 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CN(C(=O)OC(C)(C)C)C1 1748940380 JAPUJOSNABQVET-ROUUACIJSA-N 433.553 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccc(N2CCOCC2)c1 1748956342 PSCWAYDRCTYRBB-UHFFFAOYSA-N 434.544 2.255 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1749019530 YCVGUMYSHXCASC-UHFFFAOYSA-N 442.539 2.034 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1(C)C 1749220027 AHYOBFUNYVTZCL-GOSISDBHSA-N 426.521 2.068 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(C)c2)CC1 1749303469 KXOBOPSPJVJTFS-LJQANCHMSA-N 443.573 2.075 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCC(OC)CC2)CCCC1 1749499606 XXJBNFGSNYNFJE-UHFFFAOYSA-N 430.597 2.446 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1749670901 WMXPNUDXCSYKJO-XXBNENTESA-N 425.533 2.228 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2oncc2C1 1749725719 XDLYWUJLGQZVBB-UHFFFAOYSA-N 444.473 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749731852 MJBGQPGNWZGGLN-MRXNPFEDSA-N 434.566 2.297 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1749777687 MMTYOFNQTBPNJN-HSZRJFAPSA-N 438.532 2.069 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccco1 1750078340 FLKGNVCRFWVYJR-JLTOFOAXSA-N 428.518 2.366 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)N1CCSCC1 1760108188 ZJDUAHNFKHWMBH-QGZVFWFLSA-N 447.630 2.344 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2cccc(F)c2)n1 1760252014 JVTGCJGEWOKYDX-UHFFFAOYSA-N 446.490 2.405 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCn3ccnc3C2)CC1 1760269669 AZGVIYISVNVYBF-SFHVURJKSA-N 437.592 2.292 30 10 IEEE C=C(Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1760363246 IMZYDKYWQJKZOJ-UHFFFAOYSA-N 436.560 2.117 30 10 IEEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760436819 HJDMROGACVZTPI-MRXNPFEDSA-N 433.534 2.158 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC)C1CCCC1 1760553461 CYHMOMMPGPDDOT-UHFFFAOYSA-N 435.550 2.376 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@H]1C 1760689453 XKQIPTNULYRIBI-VBHSOAQHSA-N 437.342 2.182 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC[C@H](C3)C4O)n2CC(=O)NCC(F)(F)F)cc1 1771531795 CTIOSIOEUKKPJT-BYICEURKSA-N 448.449 2.092 30 10 IEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC(Oc4cccnc4C#N)C3)cc2)CC1 1848823075 PDYTXUNIMQWISR-UHFFFAOYSA-N 440.525 2.277 30 10 IEEE C[C@@H]1Oc2ccc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)cc2N(C)C1=O 1851616801 OZYPAXOYAYXKCN-JTQLQIEISA-N 433.408 2.305 30 10 IEEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(c3nccc(C#N)n3)CC2)c2ccccc21 1852243565 LQZXVMWHNOFGPN-UHFFFAOYSA-N 431.500 2.084 30 10 IEEE Cc1[nH]nc2c1[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2C(=O)[C@H]1CN2CCN1CC2 1852809605 XZVSSOUWZIXRMW-WIYYLYMNSA-N 446.555 2.235 30 10 IEEE C=CCN(Cc1cnnn1C)C(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1853439188 LUIPJBSBDGJDCH-KRWDZBQOSA-N 434.548 2.168 30 10 IEEE C[C@@H]1C(=O)N(C(=O)COc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854625964 DDESBQVAOKQJAT-CQSZACIVSA-N 447.900 2.039 30 10 IEEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](c4ccc(F)cc4)C3)ccc21 1855960250 VSEXNYRIVWRZFT-OAHLLOKOSA-N 427.457 2.333 30 10 IEEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)Cc1ccc(F)cc1F 1855986819 FLMBDJMDEJCIRV-UHFFFAOYSA-N 433.436 2.157 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569584 QAYOQTYTFLRZQE-WLRWDXFRSA-N 429.425 2.074 30 10 IEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccccc1C(=O)O 1864661480 YAVVGBFIASJGOV-GOSISDBHSA-N 431.452 2.271 30 10 IEEE C[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(C#N)cc1 1866894562 UHJWCBDJPCDTIF-KRWDZBQOSA-N 445.523 2.374 30 10 IEEE CCc1cccc(C)c1NC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O 1870103037 SQGBBMGUPYHHAN-UHFFFAOYSA-N 427.468 2.418 30 10 IEEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870348030 FVQWTTNJXYGWPP-UHFFFAOYSA-N 447.535 2.442 30 10 IEEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN(CCO)CCO 1870593494 WQQMVNVHLMCGAV-UHFFFAOYSA-N 438.524 2.432 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618211 ZXSVTVXSPCMHJB-UHFFFAOYSA-N 433.564 2.402 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873672429 IVZKTVGKFVSYQC-UHFFFAOYSA-N 444.499 2.448 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889425253 NYQZYKRHEIYFMZ-IBGZPJMESA-N 433.980 2.366 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OCC 2006228044 KIMDLJXPCJITBQ-QWHCGFSZSA-N 427.361 2.229 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2023134657 QXEWYQWPCOAQOT-AOMKIAJQSA-N 439.553 2.171 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)F 2060640103 PTDJWWOAXWBBFM-IBGZPJMESA-N 442.272 2.263 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640626 WXQIGMRRLUNARD-AEGPPILISA-N 432.330 2.264 30 10 IEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 2060815955 WUSDEGPLGFYGKZ-IBGZPJMESA-N 438.532 2.258 30 10 IEEE CCCN(CCS(C)(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172777227 ZTDRIGWWXOSMBG-UHFFFAOYSA-N 447.204 2.404 30 10 IEEE Cc1cnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2224116565 CUXDEQORHRUTEX-RDJZCZTQSA-N 433.358 2.329 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCNC(=O)OC(C)(C)C 2247952493 OINLAXCPOPDSLC-UHFFFAOYSA-N 440.371 2.097 30 10 IEEE C=C(CS(=O)(=O)N[C@]1(CF)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247961636 HOJPHTYZJLWOPU-IBGZPJMESA-N 448.366 2.443 30 10 IEEE CC1(C)OB(C#CC(=O)N2CCC[C@H](N(CC(F)F)C(=O)C(F)(F)F)C2)OC1(C)C 2255602665 VSKQXKTUVIEAQN-LBPRGKRZSA-N 438.202 2.268 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255645610 QFSPMRJCCNSHRC-NFAWXSAZSA-N 449.382 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2255791084 IJUOLYYDTDSQPB-UHFFFAOYSA-N 436.289 2.406 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255815490 OIIKIIJNHXYVGA-YPMHNXCESA-N 430.232 2.108 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255844565 YODWQTMJCBUDPW-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(N)=O)C1 2266709287 SOUGVBBBALBUEH-QFIPXVFZSA-N 447.341 2.015 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267108100 SQGYASYWBSDZTO-HZPDHXFCSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142885 ADMPFWOUIOKCCA-HZPDHXFCSA-N 446.357 2.323 30 10 IEEE Cc1c(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267198233 VOLBKQOSNDSOEI-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE CCCN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267273756 QUAWORQZPUTCNO-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](C2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267520638 LZASTZHXJDKQEZ-AWEZNQCLSA-N 446.357 2.038 30 10 IEEE CC(C)[C@H]1[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267526793 XUURSPIKUAQRPX-WBVHZDCISA-N 448.373 2.473 30 10 IEEE Cc1cnc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267572373 UZVBKKOOEJJRNA-GJZGRUSLSA-N 443.353 2.284 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267613456 CFPSRBPLNOEMHI-ZBFHGGJFSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(O)[C@@H](N)C#Cc1cccc(Br)c1 2278735974 VMFUYMQERNHTBY-FCEWJHQRSA-N 425.323 2.173 30 10 IEEE C[C@@H](CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)NC(=O)OC(C)(C)C 2317255919 ZUTFUYXAHXMBJU-LBPRGKRZSA-N 438.305 2.474 30 10 IEEE CCCOc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329013354 YWBDQAYVDSSKFL-MRXNPFEDSA-N 444.561 2.251 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]12 2331228922 FZZXHDYYRIOUBM-QXSJWSMHSA-N 444.341 2.264 30 10 IEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1 10196257 MARISQGPRLBBBJ-KRWDZBQOSA-N 449.602 2.290 30 10 IEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1 20293088 BDUJSRAOCXDOGJ-KEBDBYFISA-N 442.461 2.086 30 10 IEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCCC(=O)Nc2ccccn2)n1N 20911902 UWSULHJKTJTREA-SSDVNMTOSA-N 442.553 2.348 30 10 IEEE CCOCCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 109646121 HWXKXIIGOOAFDA-UHFFFAOYSA-N 443.525 2.120 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 446640852 ZKMNUALSLBACRB-QHGAOEGBSA-N 439.491 2.426 30 10 IEEE COCCN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1=O 469701449 MLGJRTFNNRRPSE-UHFFFAOYSA-N 441.507 2.224 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccccc1C 479367782 SNNCUYUKSMJASE-UHFFFAOYSA-N 448.548 2.030 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H](CO)Cc3ccc(F)c(F)c3)C2=O)cc1 479777603 WIGATSSLBJHASF-UWJYYQICSA-N 442.466 2.482 30 10 IEEE CCOC(=O)C1(COC)CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 481496965 HSTMPGOYRRXKPH-UHFFFAOYSA-N 445.335 2.301 30 10 IEEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)c1C 485042985 MFIHTGJNUAMNOP-QHCPKHFHSA-N 437.500 2.096 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 486376029 PXURZHMKNITYEO-IAGOWNOFSA-N 443.363 2.263 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1 502045221 PJUJTDPQZNGXAM-UHFFFAOYSA-N 442.500 2.027 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NC[C@H](O)CS(=O)(=O)c3cccs3)cc2)nc1 502109256 KUDRGOZEWPCDCF-INIZCTEOSA-N 443.506 2.372 30 10 IEEE COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 503728089 OWESFZHURKIGAO-SFHVURJKSA-N 427.482 2.127 30 10 IEEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 507510513 WUVCVJXRJATJAK-OALUTQOASA-N 444.557 2.383 30 10 IEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 508794188 KILWUMVAWDYYQK-IAGOWNOFSA-N 430.578 2.003 30 10 IEEE COC[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(F)cc1 513190238 RNKQCWCKSFKIJZ-KRWDZBQOSA-N 425.395 2.465 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2ccccc2-n2cccn2)n1 513307536 VTDDUGOGEDUCSD-UHFFFAOYSA-N 429.415 2.324 30 10 IEEE C=CCN1CCC(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CC1 519733952 KZHMAQOJVHLOMD-LKJYPZGBSA-N 445.563 2.232 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 538009670 DEBXUWINXALGPE-UHFFFAOYSA-N 449.492 2.287 30 10 IEEE C=CC[C@H](CO)NC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 541791640 KWMLBAGSIOMHBA-IAGOWNOFSA-N 443.329 2.492 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 549638732 ATBCZHMMIMERMA-KRWDZBQOSA-N 441.504 2.102 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2Cc2cccs2)CC1 549950386 YEAUYNUBKHTUHT-UHFFFAOYSA-N 440.573 2.190 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 555271514 DIGYQYZCIHAOOG-LPHOPBHVSA-N 435.488 2.360 30 10 IEEE N#Cc1cccc(C(=O)OCCN2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1 586394247 MDSIECLNAOALSH-UHFFFAOYSA-N 431.448 2.279 30 10 IEEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 586777413 OJEYQCXOHQBGQT-FHLIZLRMSA-N 428.430 2.186 30 10 IEEE N#CC1(Cc2nc(CC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)no2)CC1 590272694 HHCXGQDVFFXCII-UHFFFAOYSA-N 429.502 2.272 30 10 IEEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 613712137 FJVWJBBBJBXBJU-UHFFFAOYSA-N 448.476 2.169 30 10 IEEE Cc1occc1C(=O)NC1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 727425736 CVECNSIEYIONQD-UHFFFAOYSA-N 435.484 2.076 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 734290890 BCFJBOPHJFHQIZ-UHFFFAOYSA-N 449.444 2.375 30 10 IEEE COC(=O)[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)c1ccc(C#N)cc1 740223704 AACFEMAZVBMTKA-SFHVURJKSA-N 442.449 2.182 30 10 IEEE C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCN1C(=O)Cc1cccc(Cl)c1 742424767 FBHHMFGBESETDX-AWEZNQCLSA-N 432.933 2.139 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1COc2c1ccc(Cl)c2Cl 742757301 YSYLUVWJEJQYIL-GFCCVEGCSA-N 426.281 2.282 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1 750266537 TZYHCUOKTOSAGC-WYTGLPIOSA-N 432.546 2.087 30 10 IEEE C[C@H](CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)/N=C1/NS(=O)(=O)c2ccccc21 755634832 UNZIAIHCOTXMOT-ZIAGYGMSSA-N 448.495 2.177 30 10 IEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@@H]1C(=O)O 757273915 FTSAJNXBPCOTFI-FGZHOGPDSA-N 448.475 2.229 30 10 IEEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758115632 GTUPCRWRJCKMBP-SFHVURJKSA-N 440.569 2.129 30 10 IEEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2)C1 760301951 PBBNVSJCGXWXDM-SJORKVTESA-N 429.546 2.091 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)=NO1 764014057 FXIIUYRFVALHAO-IEBWSBKVSA-N 427.505 2.065 30 10 IEEE C#CCN(C(=O)Cc1ccc(OCCOc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 765664245 CLOLAZVNILJGDA-FQEVSTJZSA-N 427.522 2.336 30 10 IEEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1nc(C(F)(F)F)cs1 767377834 ASKYOPCDUKYFCU-UHFFFAOYSA-N 448.496 2.329 30 10 IEEE COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)cc1C#N 774781952 JATZILUPNPAMJA-UHFFFAOYSA-N 428.919 2.243 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)CC1 780842752 PBCVLHXCEPLXCO-UHFFFAOYSA-N 437.504 2.404 30 10 IEEE Cc1nc2c(s1)[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCC2 780870595 DXAMXMCKZGJVCM-GOSISDBHSA-N 445.570 2.417 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)n1 788957158 IDMLWURFATYZDH-LJQANCHMSA-N 425.533 2.209 30 10 IEEE C#CCn1ccc(CN(CCOC)Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)n1 789322193 BXNHGKWCHPBKCW-UHFFFAOYSA-N 428.514 2.223 30 10 IEEE COCCOc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)c1 789967899 MIWNJOPHYSFZJV-GOSISDBHSA-N 442.545 2.332 30 10 IEEE COc1cc2c(cc1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)OCO2 790863422 WLMHFVAOKLSSMW-UHFFFAOYSA-N 428.344 2.433 30 10 IEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 809896918 UDNKIQXCBCAHOQ-CVEARBPZSA-N 435.525 2.162 30 10 IEEE C#CCN(c1nnc(CCCc2cccs2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812260666 WJMKQFYIQGTSEK-QZTJIDSGSA-N 448.614 2.321 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856566047 ZFGYMVVCMGFMMI-QGZVFWFLSA-N 443.529 2.435 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2c(OC)cc(OC)cc2OC)ccc1F 916499793 YGICFXOLVIRHQR-UHFFFAOYSA-N 438.477 2.246 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 916777489 GREMSPHDMRBXAN-UHFFFAOYSA-N 427.482 2.248 30 10 IEEE Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 916897322 GYHYUNQDDCELFO-HXUWFJFHSA-N 441.509 2.286 30 10 IEEE COc1cc(C=NNc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)ccc1O 1084557335 JIFFGRUZQFDREA-UHFFFAOYSA-N 426.502 2.416 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)COc1ccc(C#N)c(Br)c1 1132353474 XQWPMYLWJYZPQB-WBMJQRKESA-N 425.279 2.174 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1141805120 ZKBABNQHFJLUEH-FUHWJXTLSA-N 449.573 2.221 30 10 IEEE C#CCN(C(=O)c1cn(C[C@@H](O)CC)nn1)[C@H]1CCOc2ccc(Br)cc21 1146862141 MWTNNJSYDIPJEL-YOEHRIQHSA-N 433.306 2.411 30 10 IEEE CCOC(=O)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)CNc1ccc(C#N)cc1 1154771595 IJOUAXJSYCFSDK-GOSISDBHSA-N 430.505 2.275 30 10 IEEE COc1cc(Br)cc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1248562560 IVIXCPGHMGUDHQ-UHFFFAOYSA-N 447.337 2.403 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2nnn(C(C)(C)C)n2)c1 1264675168 XGORVKKGOAGFCN-XQNSMLJCSA-N 433.538 2.273 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCOC1=O 1286279856 QVNUKSKFIPHURP-OAHLLOKOSA-N 443.504 2.271 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCSC)c1 1286309172 OVIQWXFRBOGWEV-UHFFFAOYSA-N 440.573 2.323 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286394219 NXKKSRDTTULEON-UYAOXDASSA-N 446.548 2.181 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ncnn1C(C)(C)C 1286402758 HTPCIVAFQRUSTO-UHFFFAOYSA-N 431.500 2.184 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1286465437 NGALMMQSPHDFCZ-LJQANCHMSA-N 439.516 2.263 30 10 IEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCS(C)(=O)=O)CC1 1286473611 UXJQVMLMOMFNSC-HXUWFJFHSA-N 429.590 2.010 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)COCCO2)CC1 1286478645 HWSZDMOBFDKIGN-QFIPXVFZSA-N 429.952 2.083 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCCS2)CC1 1286487999 JSBONWLHZWKOED-MJGOQNOKSA-N 449.621 2.254 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286508847 XYJPERVEVXLGFW-LJQANCHMSA-N 446.646 2.301 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](OCC)C(C)C 1286516951 OAGIQMIVYXCFSH-ABSDTBQOSA-N 425.599 2.332 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1286737881 XYNJAPSQZOXELE-HNNXBMFYSA-N 426.487 2.440 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(Cl)ccc2C1 1286819266 FUXUOUGZOBNQHP-KRWDZBQOSA-N 449.964 2.046 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1288512834 AEJPWCKYBAQGSH-INIZCTEOSA-N 442.545 2.293 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(CC(C)C)C2)n1 1290645892 DISJJEKDQQXGPQ-LEWJYISDSA-N 440.596 2.237 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1291189641 FKARAYKUFKBDER-KRWDZBQOSA-N 449.559 2.323 30 10 IEEE CCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1296059452 FVMWKXUNJZLNHP-WMZOPIPTSA-N 430.578 2.429 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1300310744 ZELVMKOQDHRYNN-KGLIPLIRSA-N 446.964 2.227 30 10 IEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300344626 FSABVUARRXGIIU-LJQANCHMSA-N 441.513 2.284 30 10 IEEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300432275 UVEYQGPXBYSNRP-GOSISDBHSA-N 427.574 2.099 30 10 IEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=C)Br 1300536291 UIAJVAUDPPUUGN-UHFFFAOYSA-N 440.349 2.434 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSc2ccccc2)CC1 1300682356 KNYSNQUSYUUDGI-UHFFFAOYSA-N 447.568 2.473 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)[C@@H](C)CC)CC1 1300691408 XMRPVGOBCTVUFL-IBGZPJMESA-N 438.576 2.202 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1300760724 GIOUKEOPDZEBAI-KRWDZBQOSA-N 447.634 2.415 30 10 IEEE C=C(C)Cn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300970311 OOBRKQACGFGCBI-UGKGYDQZSA-N 430.553 2.305 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301137883 XWEDNEHNDYYWPF-IBGZPJMESA-N 432.613 2.375 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1301514282 INYOCFXBCHBLQH-HSZRJFAPSA-N 425.533 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301578326 XKINZGVRXTVDJC-APWZRJJASA-N 429.546 2.279 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1301608957 BSZGXIXWZJSQAB-SFHVURJKSA-N 437.573 2.347 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301935642 VGMDZWDYGYOPOH-KKSFZXQISA-N 438.532 2.259 30 10 IEEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1304597878 HJQZLYOJEJGHQH-SFHVURJKSA-N 427.530 2.320 30 10 IEEE Cn1cc([C@H]2CCCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)nn1 1305206176 AKUKDLROLMKBEA-YYOAPQJESA-N 428.537 2.308 30 10 IEEE CCCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CC1 1307037320 AWVAQWVOBYVIDY-UHFFFAOYSA-N 444.605 2.420 30 10 IEEE CCOCCn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OCC)CCOC1 1314494045 YJQAPEBEEGDUTR-REWPJTCUSA-N 441.532 2.416 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCS2(=O)=O)C1 1316528694 YWOXVLACAZPCGS-APWZRJJASA-N 448.480 2.263 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358870342 LJIQHSXHRSELEL-MSOLQXFVSA-N 443.511 2.436 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1358915620 KFARLZKRPPAENF-UHFFFAOYSA-N 432.532 2.421 30 10 IEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358966123 ICPZBTOMFAVAOH-TZIWHRDSSA-N 443.617 2.030 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1358973934 KZUKQDFWUQVNJY-IBGZPJMESA-N 437.544 2.146 30 10 IEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)nc1 1359024944 ZAEVQLVXGOVXJF-UHFFFAOYSA-N 446.559 2.290 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCSC1 1359026954 PWOQXJFOMHMEJI-QFIPXVFZSA-N 430.574 2.428 30 10 IEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCSC1 1359027002 RYJHHKVLYFECNP-QFIPXVFZSA-N 430.574 2.428 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C 1359089709 NKBASQWBIJDONR-MJGOQNOKSA-N 427.553 2.174 30 10 IEEE CC(C)(O)CCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359600032 GHIMFFUHENYTKM-UHFFFAOYSA-N 446.559 2.480 30 10 IEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCS(=O)(=O)C[C@H]3c3ccccc3)CC2=O)cc1 1439693768 OBCFTHWYMDMESC-FPOVZHCZSA-N 437.521 2.300 30 10 IEEE COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)NO)cc1 1448499138 DJAKPTJNLPBWLL-DYESRHJHSA-N 436.468 2.394 30 10 IEEE COc1cnc(C(C)(C)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc1O 1456152327 NIDXYWVIFBIOJQ-UHFFFAOYSA-N 446.305 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CN(CC(=O)NC2(C#N)CCC2)Cc2ccccc2)C1 1460713627 QCVXICCTHLZOLQ-UHFFFAOYSA-N 428.533 2.033 30 10 IEEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCOC2(CCS(=O)(=O)CC2)C1 1460960464 KNTKEYDABGWCFP-MRXNPFEDSA-N 437.587 2.156 30 10 IEEE N#CCCN(Cc1ccccn1)C(=O)Cn1nc(Br)c(Br)n1 1464913077 ACRLBMNPAPJJAF-UHFFFAOYSA-N 428.088 2.141 30 10 IEEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)cc1 1477761882 DRIVHCRHKWZINR-FQEVSTJZSA-N 429.498 2.276 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)CC2)cn1 1478594789 ASTYTEONHGFDLS-MRXNPFEDSA-N 438.454 2.118 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCC(C)(C)O 1494135763 GXGTWZZDOSEZJF-MRXNPFEDSA-N 426.569 2.404 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCO[C@H](C)C2)CC1 1502310549 BLHXUEFNVZFCGI-VQTJNVASSA-N 437.592 2.458 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1502374059 FLQMHURFBNKXKD-OAHLLOKOSA-N 446.939 2.498 30 10 IEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2nccnc2C)CCOC1 1502687739 CGOJOBJGGZBENF-VXKWHMMOSA-N 425.537 2.401 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507586095 VLOBNIPESPSYEF-QGZVFWFLSA-N 431.562 2.133 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507621990 DPVZXIWJCSVHIM-OALUTQOASA-N 449.621 2.211 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507658821 HELCIDFXSFLSEH-GOSISDBHSA-N 442.564 2.232 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN1CCCO 1507658929 IRWAWTPAXCUQAS-PWRODBHTSA-N 427.593 2.116 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1noc(CC)n1 1507703865 HHKPKAAOFPVDGK-UHFFFAOYSA-N 448.325 2.310 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC 1507760625 BRAWHTKHVQYXNX-JOCHJYFZSA-N 438.557 2.343 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1507796632 MYOGBVGCFOGYML-RTBURBONSA-N 427.530 2.033 30 10 IEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507867425 NDLSLDNWJHWNRE-OXQOHEQNSA-N 443.983 2.005 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1507910885 FWXXJJBROBRXEE-MRXNPFEDSA-N 435.536 2.190 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507922893 JARIOXVXZKRSBC-UHFFFAOYSA-N 432.594 2.384 30 10 IEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1507958213 QZQQSPAOIQINJG-OAHLLOKOSA-N 437.541 2.183 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1508094575 GZHWXDHOWDONPL-OAQYLSRUSA-N 449.559 2.160 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C 1508135211 ZGWBXQJVFLDFBX-UHFFFAOYSA-N 439.545 2.096 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCO[C@@H]2CCOC2)CCOC1 1509806167 TXIWAONSIQRKBX-KNQAVFIVSA-N 433.553 2.254 30 10 IEEE Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1510872259 ACUAZTMISFBCAB-FQEVSTJZSA-N 427.871 2.491 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1517245885 YVJSDPHIDHWXNS-UHFFFAOYSA-N 447.561 2.087 30 10 IEEE CO[C@H](CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1517794595 JRZJPGKKOBNYLO-DOTOQJQBSA-N 435.454 2.484 30 10 IEEE Cc1cnnn1-c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1526593821 YCKNNTDVPQBFQR-IBGZPJMESA-N 429.440 2.291 30 10 IEEE C=CC(C)(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1531049286 SWELOMWEMPCGQP-UHFFFAOYSA-N 437.562 2.085 30 10 IEEE C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)nc1 1531788330 ZZUNVLJRNPJVEU-UKRRQHHQSA-N 425.407 2.056 30 10 IEEE CC1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC2(CC1)OCCO2 1537143565 MTHBEUFJXVFSBL-GOSISDBHSA-N 440.500 2.203 30 10 IEEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1539108663 BOGKFYCHQVLHKJ-UHFFFAOYSA-N 438.557 2.378 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539219928 GCCMPOSQJVWOSH-VQTJNVASSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1539312419 PSKGNRDFJAXYON-FQEVSTJZSA-N 449.584 2.277 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1539368710 BEMZORQBEFYXJS-LEWJYISDSA-N 441.601 2.304 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nncn2CC)CC1 1539436119 KCIMXCRFWIXKDT-UHFFFAOYSA-N 440.939 2.022 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCc3ccccc3C2)CC1 1539829382 XHPGRQCGDFNXEA-SFHVURJKSA-N 444.605 2.103 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)(F)C(F)F)CC1 1539847370 DQVLQGXBYDGYNZ-ZDUSSCGKSA-N 440.463 2.254 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1540074487 ZBPSXNZJVASIQC-OALUTQOASA-N 446.573 2.327 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1540121803 NTKOSDBWKGLOJM-SFHVURJKSA-N 435.532 2.066 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1540167941 HDKKXJAJBRSFMX-IBGZPJMESA-N 440.523 2.432 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1540182019 GCBFEFFYRGJDAN-VWLOTQADSA-N 449.603 2.441 30 10 IEEE CN(C)C(=O)C1CCC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1540410688 GETIYSYXQMBEGU-UHFFFAOYSA-N 425.489 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1540868424 FDFRNNGYCFISDX-LJQANCHMSA-N 446.559 2.138 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](F)COC)C1 1540889676 RQCLOYUJQIBJDV-HUUCEWRRSA-N 428.468 2.360 30 10 IEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540915989 QSFSWSARSGJOBT-QGZVFWFLSA-N 445.593 2.217 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1544487509 ZTEBIAWNIGCZPB-QRQCRPRQSA-N 449.504 2.155 30 10 IEEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2C(C)=O)C1=O 1545003174 WXAXHXOOVOPOHG-QHCPKHFHSA-N 434.452 2.484 30 10 IEEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1CCOCC1 1548375571 QSRYYVVWBYJALL-SFHVURJKSA-N 438.450 2.109 30 10 IEEE CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554157612 AXROLMFKVGKQTL-XOMICKMZSA-N 440.479 2.084 30 10 IEEE COCC1=CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555320552 INNHONDNEKRSRM-XUTLUUPISA-N 426.521 2.245 30 10 IEEE COCCCn1c(-c2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555494009 WMMCFYAIFIXMTQ-UHFFFAOYSA-N 438.511 2.361 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1557386198 QOGLTBPHSNKBDK-AVRDEDQJSA-N 428.489 2.206 30 10 IEEE C=CCn1cc2ccc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)O)cc2n1 1558514113 NEESTAVFLVFBMJ-FOIQADDNSA-N 428.514 2.197 30 10 IEEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)cc1 1559204267 BVJMTXZHRZWKQF-UHFFFAOYSA-N 434.499 2.452 30 10 IEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CC1 1561505647 MICMQRGCCBHFRX-UHFFFAOYSA-N 438.347 2.091 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3ccnn3-c3ccccc3)C2=O)cc1 1584575426 VCSHFPNIAKELQD-OAQYLSRUSA-N 442.479 2.308 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1585593594 KDSXBYOCQBGOFG-UHFFFAOYSA-N 438.521 2.030 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1585881794 JKLQKOMTIPDFGB-MOPGFXCFSA-N 445.585 2.332 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1587765821 KPPOCHZXRBRBJL-GOSISDBHSA-N 443.573 2.016 30 10 IEEE C[C@H]1CN(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H](C)O1 1587799070 XCVHYMOLIAVMEN-GJZGRUSLSA-N 435.366 2.372 30 10 IEEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1587872224 BEKNUUMSBLQKHS-HXUWFJFHSA-N 449.621 2.055 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(S(C)(=O)=O)CC1 1587937994 YOGFQCPNGMONGX-UHFFFAOYSA-N 429.365 2.416 30 10 IEEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCCS1(=O)=O 1588271154 FNCDGLLPHYYHPJ-UHFFFAOYSA-N 427.574 2.243 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1588550162 JLWTVVAXLMRBCV-RBUKOAKNSA-N 446.548 2.386 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 1588813151 WDPUSTPLMPSZTG-INIZCTEOSA-N 445.365 2.133 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1595094762 YIKNHTAHHWOGMN-WOJBJXKFSA-N 436.516 2.099 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1595593540 FSRIYDSBQJZCPT-INIZCTEOSA-N 448.980 2.241 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CC)C[C@@H]1CCCO1 1595778035 UUEJRRBBKFDPTC-IBGZPJMESA-N 429.546 2.423 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2C[C@H](C)O[C@H](C)C2)CCOC1 1596792367 VXAVZRGUOAFDIT-UGTOYMOASA-N 448.612 2.414 30 10 IEEE CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1597663714 NLIFFCKBIJRBQC-UHFFFAOYSA-N 435.527 2.066 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)O1 1613688484 OLXOWIIYBKPENA-MCEIDBOGSA-N 433.553 2.395 30 10 IEEE CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617171559 LBIQORRIKSPYGR-OAHLLOKOSA-N 434.342 2.249 30 10 IEEE C=CC[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccncc1 1617750031 OHYLTSDRTZBQQX-AKHDSKFASA-N 449.573 2.485 30 10 IEEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1619615145 XJBGQZYUMZZENE-TZIWHRDSSA-N 442.539 2.350 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 1622325419 UQERUJRVHUTCCJ-OAHLLOKOSA-N 427.494 2.207 30 10 IEEE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cn1 1623158405 SBUSTXBLEBJNPA-OAQYLSRUSA-N 435.484 2.440 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCC3CCN(CC#N)CC3)nn2)CC1 1627910024 QKQUOCVFBHFGLZ-SFHVURJKSA-N 445.568 2.206 30 10 IEEE C=CC1(CC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CN(C(=O)OC(C)(C)C)C1 1628375581 NHJHYBDQTKVUQD-UHFFFAOYSA-N 438.546 2.398 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc4cccnc4c3O)C2=O)cc1 1630533176 WRRDRIPGPUXFSS-SFHVURJKSA-N 429.436 2.333 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1C(=O)OC(C)(C)C 1630915402 KLIMGYIRDGCSPK-HNNXBMFYSA-N 443.525 2.497 30 10 IEEE Cn1c(S)nnc1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1632908588 PLQLWEZEIQQDRN-AWEZNQCLSA-N 444.948 2.388 30 10 IEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(CC#N)CC1 1633568305 NQLUFQMCPFSJAL-OAQYLSRUSA-N 443.592 2.363 30 10 IEEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1636512592 LRMDJVRLZSSMLV-HZUJVAHNSA-N 439.578 2.056 30 10 IEEE C=C(CCN(C)C)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1638794382 JSWONEVJTATVDO-UHFFFAOYSA-N 447.395 2.339 30 10 IEEE COC(=O)c1ccc(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)[C@H](C)C2)cc1 1644509838 GILOWXYXPSZEOE-GOSISDBHSA-N 431.492 2.283 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1 1645463727 HKQUSNFMAQFOKH-HSZRJFAPSA-N 438.505 2.238 30 10 IEEE C#CCOCCC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1646283293 PMYLMMCRVNMIHX-GOSISDBHSA-N 445.564 2.213 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)n1 1649425386 LKMCIGXUMIUXFZ-OAQYLSRUSA-N 445.951 2.233 30 10 IEEE CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1cc(Br)ccc1C#N 1653467123 FZVHCGPEXDDHOP-CYBMUJFWSA-N 432.365 2.253 30 10 IEEE CC(C)(C)OC(=O)C1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1653766099 HWDWCRPTLUILJZ-UHFFFAOYSA-N 435.546 2.086 30 10 IEEE CCc1nc(C#N)cc(NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)n1 1655163985 GNISDMBNDQZIGN-UHFFFAOYSA-N 431.518 2.193 30 10 IEEE N#Cc1cccc2c1CCN2CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1659080034 CSOIUQLNNPSLOS-UHFFFAOYSA-N 444.944 2.107 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1 1667322868 XIUYEXSECMTCQQ-VQIMIIECSA-N 433.534 2.268 30 10 IEEE CS(=O)(=O)c1cc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1F 1670049670 IFLFXKDKQHIQNA-UHFFFAOYSA-N 433.465 2.320 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 1680685827 OFAHVYLOEBETKL-JXFKEZNVSA-N 429.583 2.314 30 10 IEEE N#Cc1ccccc1N1CCC(NC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1684480193 HLUZTOXVJIZTRW-UHFFFAOYSA-N 446.511 2.078 30 10 IEEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3Cl)CC1)C2 1687386196 BIMSITSRZWHNIN-SFHVURJKSA-N 444.944 2.395 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)cc1 1689847511 BADYEKLQGVJKCK-MRXNPFEDSA-N 434.500 2.202 30 10 IEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1689894918 BXHNNEFFLJKEPM-UHFFFAOYSA-N 444.530 2.209 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689990252 NFYYBSYTLCLFGS-WBVHZDCISA-N 449.602 2.214 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1690102331 IIJXFMKNPTUXPX-QRVBRYPASA-N 430.597 2.072 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1690122025 CDEZKNFWYVHPTB-GOSISDBHSA-N 446.477 2.360 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690124771 TZMLNWZCETZKMS-MOPGFXCFSA-N 446.596 2.088 30 10 IEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690181363 WDAJOGRWAXVPKJ-KRWDZBQOSA-N 427.574 2.105 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690462616 LEOAVYFSKLRMEG-HXUWFJFHSA-N 440.596 2.258 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1690527677 QZLOUVGSBWHLFT-HXUWFJFHSA-N 429.590 2.251 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(F)F)C1 1690673872 HXACVAAUPATSGZ-OAHLLOKOSA-N 429.475 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C[C@@H]1CCOC1)C1CC1 1690723596 WMMLBIPEJZMCLY-KRWDZBQOSA-N 431.562 2.255 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690724644 TVQDRISHKYQEPW-QZTJIDSGSA-N 447.561 2.173 30 10 IEEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCN1CCCCC1=O 1693507591 AEZOMKQVCMSXLZ-UHFFFAOYSA-N 425.512 2.327 30 10 IEEE CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1695598449 DNFQUAYFHPMTOD-UHFFFAOYSA-N 425.537 2.049 30 10 IEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H]1COCCO1 1697611730 DXKOYLHREQJADL-HRAATJIYSA-N 431.468 2.113 30 10 IEEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1698063811 LZLZQDFZOYTISY-IBGZPJMESA-N 435.532 2.375 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705511907 JOXUTFJTKDNSRG-LJQANCHMSA-N 447.547 2.029 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705529945 PPMRMNZIYQZYIX-UHFFFAOYSA-N 437.544 2.442 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1705535075 ZSSHFNAZKHSWIH-GOSISDBHSA-N 441.536 2.426 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705566633 PVYUOJVGVYCNBL-IAGOWNOFSA-N 428.562 2.188 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CN(C)C1=O 1705620972 MLVXJOGUPBNGMS-XMMPIXPASA-N 449.534 2.397 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CS(C)(=O)=O)c1 1705627695 NOXUJVFQSHXVNF-FQEVSTJZSA-N 446.573 2.199 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC1CC1 1705675937 GSAFMMKPSGKYAH-HXUWFJFHSA-N 433.603 2.451 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOCC)C1 1705679323 JPPDSHAQZLJUJH-HNNXBMFYSA-N 442.358 2.055 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(CCOC)no1 1705692358 HISPMEFBGFIXOF-GFCCVEGCSA-N 427.303 2.247 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705703236 SDVIIWLSZZZYGF-NFBKMPQASA-N 446.640 2.448 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1705704269 RPTOEVMMAZMLKC-KSSFIOAISA-N 447.494 2.153 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705832043 LOGXPTOOYGUSQT-KNQAVFIVSA-N 430.553 2.117 30 10 IEEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1706061007 HPXSRQJRGVZECC-LJQANCHMSA-N 438.532 2.228 30 10 IEEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1711129644 GNRDEDVDNQJXEM-UFQJPTRPSA-N 432.500 2.230 30 10 IEEE CN(CC1CCOCC1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711164639 GCYWFPNMNYLAKD-QURGRASLSA-N 442.564 2.400 30 10 IEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1711486353 GYYICBJLWJYMFN-KRWDZBQOSA-N 446.577 2.007 30 10 IEEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1712134858 OBXCLKNPHXJNPA-HRAATJIYSA-N 429.546 2.114 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](OC)C(C)C 1712536894 HRJLCRQYYBFZDQ-KXBFYZLASA-N 444.536 2.208 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722500650 MMRVWAGGKZNJAG-LNLFQRSKSA-N 426.583 2.199 30 10 IEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722543581 RAQYUBHRQLMVQT-KRWDZBQOSA-N 435.960 2.488 30 10 IEEE C=CCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1722689549 URGYNKBAAYGWHK-SFHVURJKSA-N 431.459 2.011 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1722863599 LIHMFPMRONRORF-CABCVRRESA-N 440.483 2.364 30 10 IEEE CC(C)(C)O[C@@H]1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1(C)C 1723018201 UOMZQPWTTLJTOK-YYIAUSFCSA-N 430.553 2.188 30 10 IEEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1723720036 XMJIUKXHOQQVQK-WOJBJXKFSA-N 438.532 2.494 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1730485212 AIONCQNRIUQKQX-QFBILLFUSA-N 442.495 2.133 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1)NC(=O)OC(C)(C)C 1731146448 DAQISERGUYLITG-GDBMZVCRSA-N 431.541 2.272 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740617876 YJIVVFIWRLIQKL-QFBILLFUSA-N 432.594 2.322 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)OC 1740676699 KNVZZWUJWMBSBD-MJGOQNOKSA-N 434.537 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCOC)CC1 1740707690 MGMXFVKCIRZWLG-UHFFFAOYSA-N 425.533 2.168 30 10 IEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740843862 RJGSYPSTOKZGLG-CVEARBPZSA-N 439.520 2.462 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740956604 OLDQUBBELVUPKI-UHFFFAOYSA-N 438.463 2.141 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1740992041 LTZAOAUPYBBPPU-IBGZPJMESA-N 443.529 2.131 30 10 IEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1741079993 BSVAKYMIKXGDCG-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1748081520 BZKPYKPZWCPLFY-UHFFFAOYSA-N 448.531 2.032 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1748713149 ONIWPICOOFOREN-UHFFFAOYSA-N 449.559 2.346 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1748815505 QYIIFYFPDNSGFR-IAGOWNOFSA-N 449.602 2.154 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1748906773 YJGRJSPJUYENOL-SJORKVTESA-N 448.568 2.013 30 10 IEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)C)CC1 1749033585 JFNWHDNAXMSYAV-UHFFFAOYSA-N 430.578 2.339 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1nncn1C 1749044767 UGTCEBMDEZNEJT-INIZCTEOSA-N 428.591 2.470 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1749153425 VDMOUWJRRDJWNW-KRWDZBQOSA-N 448.593 2.446 30 10 IEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC(N)=O)CC1 1749175003 LCLPZXQFXOGQBD-UHFFFAOYSA-N 437.342 2.093 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)Br)CC1 1749286269 GZYRBKBCTHXCRM-SNVBAGLBSA-N 428.303 2.032 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1750031142 WQDFUQCGUBMAHW-UHFFFAOYSA-N 438.532 2.465 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1760176268 FDXGAJZFEAYDSL-GGAORHGYSA-N 436.604 2.263 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCC(C)(C)C1 1760207471 KVFFHMHDSXRPBA-UHFFFAOYSA-N 438.601 2.464 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1Cl 1760210900 YTJXCQBJZIHJEE-MRXNPFEDSA-N 433.965 2.247 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccs2)CC1 1760396351 BAUKOFTXBRMYQV-LIRRHRJNSA-N 439.607 2.260 30 10 IEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(=O)OC)C1 1760447555 MLTFQINSEIXIHG-KRWDZBQOSA-N 428.489 2.308 30 10 IEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760448209 YCGBBISIMBJEQW-IBGZPJMESA-N 438.532 2.319 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760502785 LUMCHFRXZRVETJ-MJGOQNOKSA-N 448.593 2.116 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@H](C2CCC2)C1 1760517748 WTWNQRIYZFXZLM-GOSISDBHSA-N 440.504 2.408 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC[C@@H]1C 1760522224 OFHPGJRNIHZHNX-YJBOKZPZSA-N 427.505 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC(N)=O 1760551407 DRPYAGODDQXCHY-GFCCVEGCSA-N 443.932 2.039 30 10 IEEE CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1761546737 GOQPLJBZQCFOJJ-ROUUACIJSA-N 440.523 2.395 30 10 IEEE CCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1764398178 BXPHBAVLXRYSFM-QFIPXVFZSA-N 425.537 2.322 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1767492670 YOJLLESZSXIDIN-FOIQADDNSA-N 437.470 2.082 30 10 IEEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1849838071 ZXXVWKYOJRAOMA-UHFFFAOYSA-N 433.574 2.476 30 10 IEEE N#Cc1ccccc1OCC(=O)OCC[C@H](c1ccccc1F)N1CCS(=O)(=O)CC1 1851605959 RHLPMIDVUJQDFU-HXUWFJFHSA-N 446.500 2.481 30 10 IEEE N#Cc1cccc(C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)Cc2ccccc2)c1 1852833990 PQIAJSRHAWSDMN-HXUWFJFHSA-N 426.494 2.321 30 10 IEEE Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H]2CN(C(=O)CC#N)C(=O)O2)CC1 1855755032 HJODXJIGGIMSOU-OAHLLOKOSA-N 425.894 2.310 30 10 IEEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1855854014 PXEQFFCNLQLZRY-AZUAARDMSA-N 433.574 2.499 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)C3(CCCC3)C2=O)c1 1856650138 ZVFRBLXYZIVSMV-UHFFFAOYSA-N 443.447 2.438 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862694374 ICBSGUBJTPEUCJ-IBGZPJMESA-N 439.424 2.318 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@H]2CO)=C(N)Oc2c1c(C)nn2CC 1865223889 HQFZSJMJUDQKGT-OXJNMPFZSA-N 438.528 2.454 30 10 IEEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870561474 ONZCXEWSSGDAGO-UHFFFAOYSA-N 445.523 2.029 30 10 IEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1870961785 GKLGUXBDMRVMBM-UHFFFAOYSA-N 440.544 2.388 30 10 IEEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873594199 OHKMBFIJYPKXOX-SFHVURJKSA-N 447.543 2.248 30 10 IEEE N#CC1(c2ccc(C(=O)N3CCN(Cc4nnnn4-c4ccc(F)c(F)c4)CC3)cc2)CC1 1891384351 GVUWAAUHFYVRAR-UHFFFAOYSA-N 449.465 2.454 30 10 IEEE N#CC1CCN(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2)CC1 1891612191 DCRRJBMFYXWQEZ-QHCPKHFHSA-N 434.540 2.145 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2015910537 JNJXPZAQYGXXNI-INIZCTEOSA-N 439.553 2.171 30 10 IEEE C=CC(C)(C)[C@]12C=C(OC)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 2053487729 SOHAVULMGIITDH-RPWUZVMVSA-N 447.495 2.438 30 10 IEEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccccc1C#CCCO 2145937061 HQGOADZUKAXOOK-UHFFFAOYSA-N 426.494 2.239 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]2C1 2224101211 HJNQDWWZEIPYCV-BBWFWOEESA-N 431.342 2.427 30 10 IEEE CC1(C)OB(c2cc(S(=O)(=O)N(CCO)Cc3ccccc3)ccc2F)OC1(C)C 2247952406 NLRGQIXQFBJYOE-UHFFFAOYSA-N 435.326 2.308 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2250108234 NFMJEYJDSPNRFB-UHFFFAOYSA-N 439.553 2.288 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1O 2255365164 AGFAAIZOHQITMJ-XHSDSOJGSA-N 433.358 2.457 30 10 IEEE CC1(C)OB(c2ccc(Cl)c(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255543953 QWXKIGUIRASVJR-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255703524 UAUYUEFOSGKEMT-NWDGAFQWSA-N 430.232 2.250 30 10 IEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255842091 MRYPSGIGHHHWFQ-ZYHUDNBSSA-N 447.288 2.114 30 10 IEEE Cc1nc(NC(=O)C(C)(C)ONC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256601735 SKHYCWANBQBHJZ-UHFFFAOYSA-N 436.318 2.258 30 10 IEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2256618087 OENQGQNLWJBRQI-MRXNPFEDSA-N 432.330 2.375 30 10 IEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256927889 OJEMBIAOBMSPTM-HOTGVXAUSA-N 437.321 2.106 30 10 IEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957636 AXGPQTLHRZDOAY-MRXNPFEDSA-N 432.330 2.127 30 10 IEEE Cc1c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001135 HJCKBXAFJDRBCR-OAHLLOKOSA-N 448.373 2.157 30 10 IEEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 2267016013 XHPSVNOAMFDYKC-UHFFFAOYSA-N 438.333 2.383 30 10 IEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2267132822 VAKVKHSCFFXUOV-INIZCTEOSA-N 435.337 2.455 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267271341 RHEGGSQDGSIFGO-GOSISDBHSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)COC1(C)C 2267292597 FVFRJABZVONMGQ-OAHLLOKOSA-N 449.357 2.416 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267522944 YJYTXHWCCWHAPM-RCDICMHDSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267608927 ZMABOKUKKFIYPT-GOSISDBHSA-N 446.353 2.352 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268609130 KDPLGJPMMKCZPC-HOTGVXAUSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268634029 VXOQCROAPTZHPS-RHSMWYFYSA-N 447.341 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)o1)CCO2 2272919269 KDYIFFNQYNQNJA-UHFFFAOYSA-N 448.325 2.041 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(Br)cc2)C1=C(O)c1ccco1 2296160204 HADNUOLGPNWLHZ-INIZCTEOSA-N 436.258 2.473 30 10 IEEE COC(=O)c1ccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN(C)C)cc1 2296612019 ZULSJJIJRIHOCA-IBGZPJMESA-N 440.500 2.187 30 10 IEEE CC#CCN(CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2300549921 JKZYVUCKELLAOI-UHFFFAOYSA-N 439.553 2.125 30 10 IEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2303193804 KTMFEZIDCUHWLG-UHFFFAOYSA-N 441.359 2.000 30 10 IEEE Nn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]c1=NN=CC=Cc1ccccc1 2313701595 JKXCPHHZLSPSRY-UHFFFAOYSA-N 438.473 2.164 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccccc2F)cc1OC 2326740181 FMAONXDSVKZJDL-UHFFFAOYSA-N 429.477 2.485 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2337298594 IUHFUZMKQCHVDF-UHFFFAOYSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2nc(F)ccc2Br)[C@@H](C#N)C1 2342386959 MDNAJVYRSOKXSE-JTQLQIEISA-N 449.302 2.117 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N[C@@H](CCO)COCc3ccccc3)c(F)c2)OC1(C)C 2343462181 MMYAUTNFIPNGCB-SFHVURJKSA-N 444.312 2.218 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1OC 20292709 KYUJYJHJGUVAEM-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(F)ccc3C)n[nH]2)cn1 59886807 CQOVOZQREZCBCY-DNTJNYDQSA-N 432.485 2.272 30 10 IEEE COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 97996846 UZQXPMJVDQXMCK-INOXOVODSA-N 427.482 2.398 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)O 205304190 JHHSUFQOSSEGCJ-OREJSRFESA-N 438.480 2.420 30 10 IEEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443321139 OQBIIHCBIJWTND-UHFFFAOYSA-N 427.549 2.222 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 446208682 BXCVYQUMLJKMCI-UHFFFAOYSA-N 449.446 2.118 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)c(Cl)c1 447430086 CXVHWOTYDKCPAY-UHFFFAOYSA-N 438.919 2.494 30 10 IEEE CC(C)C[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 461292844 JUWYZLVAYCFFAG-OTWHNJEPSA-N 432.484 2.443 30 10 IEEE N#Cc1cccnc1N1CCN(S(=O)(=O)CCc2ccccc2Br)CC1 462086873 GZJSTSRCLPCBKJ-UHFFFAOYSA-N 435.347 2.410 30 10 IEEE N#Cc1cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)ccn1 477020120 NLJYANXMXSCOQT-OAHLLOKOSA-N 449.330 2.299 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O[C@@H]2CCCCO2)cc1 504397151 HTUDKBKUGBIVNY-ZWJWXYIHSA-N 428.503 2.489 30 10 IEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508493767 ZNEFBFIPZWMJFT-QGZVFWFLSA-N 433.560 2.412 30 10 IEEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 508845533 OBNHPZKQNNKVTE-LJQANCHMSA-N 449.515 2.197 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)cc1 509261682 DCHGJZWHQKYWAT-UHFFFAOYSA-N 428.514 2.090 30 10 IEEE COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1OC(F)F 518181611 IZBYYLGMDJEAJF-UHFFFAOYSA-N 439.440 2.337 30 10 IEEE CCc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1CC(C)C 534400733 CPFYGXFQATUUCC-UHFFFAOYSA-N 429.546 2.120 30 10 IEEE CSCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543658403 NOFGPJFWCLSFMI-UHFFFAOYSA-N 431.539 2.218 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccccc4S(=O)(=O)N(C)C)no3)cc2C1=O 547039474 NLJBMUGPNIPSCM-UHFFFAOYSA-N 438.465 2.436 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 578749556 QCBBUGWNLVLDLY-UHFFFAOYSA-N 428.470 2.333 30 10 IEEE COc1cc(-c2cc(C(=O)N3CC(Oc4ccc(C#N)cn4)C3)n[nH]2)cc(OC)c1OC 585246550 YBSJDYKUKSZHDS-UHFFFAOYSA-N 435.440 2.273 30 10 IEEE Cc1ccc(-n2cnnc2SCC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 610112566 RDOYGXOAMIVVRD-UHFFFAOYSA-N 430.497 2.489 30 10 IEEE C=CCNC(=O)NC(=O)CN1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 610215114 VVVVMDWSFZHPBR-UHFFFAOYSA-N 444.429 2.306 30 10 IEEE C#CCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)[C@@H]1CCS(=O)(=O)C1 729331949 IQDRJIIJGYJWHV-CQSZACIVSA-N 428.539 2.268 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCOC[C@@H]2CCOC2)C1=O)NC1CC1 731559137 BUYKMQJVFGMUSE-KDOFPFPSSA-N 435.521 2.479 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3cccs3)c2=O)cn1 735069680 YOGRGSYSWKPPKI-UHFFFAOYSA-N 426.567 2.354 30 10 IEEE CCc1cnc(CCN2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(OC)nc2)s1 742213458 ISQLFRPZOJCDJD-CQSZACIVSA-N 433.559 2.419 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 748065295 LEZIDNCZBOSLJH-UHFFFAOYSA-N 442.585 2.160 30 10 IEEE N#C[C@H](C(=O)CC[C@@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751825773 BQVZFVBNTCRFTH-VQIMIIECSA-N 433.530 2.325 30 10 IEEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(Cl)nc2)c1=O 753788114 JKQOTVQPLLSBQR-UHFFFAOYSA-N 439.928 2.036 30 10 IEEE CC1(OCC(=O)O)CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757486825 RLYLFILAHFUZBX-UHFFFAOYSA-N 448.475 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 760776042 ZFDGQZABGTYYBZ-QGZVFWFLSA-N 431.562 2.344 30 10 IEEE C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 769866957 XPQSSFDLEXXEGQ-MEUCICPISA-N 428.580 2.421 30 10 IEEE Cc1cncc(/C=C\C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 772374499 AKKZYFCDOYQTFV-PLNGDYQASA-N 447.451 2.415 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 783618639 RXZLQNBZABJLIP-NTCAYCPXSA-N 434.539 2.430 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1C 793470554 ZSLOMCYMJQYIMA-AWEZNQCLSA-N 434.521 2.031 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 795886987 ATMRTWDHCYBPSX-IBGZPJMESA-N 439.516 2.295 30 10 IEEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 796097245 REOSQMNSNPAVHR-MRXNPFEDSA-N 429.454 2.464 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)Nc3ccccc3SCC(N)=O)CC2)c1 803923571 RIMCFHMKVZOYGC-UHFFFAOYSA-N 427.457 2.488 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1 812934451 WAGMBPUVYBRSAA-GOSISDBHSA-N 441.488 2.092 30 10 IEEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)CCNCC2 814833344 DQMXDTDJCZCLSU-UHFFFAOYSA-N 441.601 2.147 30 10 IEEE COCc1nc(Cl)cc(NN=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)n1 814978498 IZFBARWSDYASCO-JTQLQIEISA-N 433.321 2.240 30 10 IEEE Cc1c(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccoc3)[nH]n2)c(=O)n(-c2ccccc2)n1C 916958823 NQYKREQONSCEHQ-MRXNPFEDSA-N 430.424 2.429 30 10 IEEE Cn1cc(/C=C\C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(=O)n(C)c1=O 920804403 QIRUMHJEZPAZLQ-DGMVEKRQSA-N 428.420 2.375 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1125790432 MUQXNWFDPKGYKU-JOCHJYFZSA-N 429.521 2.064 30 10 IEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1nccs1 1126731982 NOPJTIWZTZJUED-UHFFFAOYSA-N 425.919 2.097 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 1131128086 BSCDFWLGPVYIHA-UHFFFAOYSA-N 444.318 2.320 30 10 IEEE N#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(F)(F)F 1133827578 JCTABMTYGWIGSJ-AWEZNQCLSA-N 425.379 2.326 30 10 IEEE C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)c1 1143641337 KCTNDUKYOYSQJI-UHFFFAOYSA-N 437.905 2.311 30 10 IEEE CN1CCC[C@](O)(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 1144758688 LBBDPPWWNPEAGQ-ICSRJNTNSA-N 435.366 2.005 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)C2=O)cc1 1156977836 GKNKKQRRKYHSHH-AUSIDOKSSA-N 436.468 2.469 30 10 IEEE C#C[C@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1161392740 DXNBPYCWHBYBKC-SFHVURJKSA-N 448.928 2.301 30 10 IEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](C(F)(F)F)CC2)CC1 1175875453 XCANWFRFKYKBSV-ZWKOTPCHSA-N 428.430 2.188 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)nc1 1178460578 MVNVMMKWVRUWPR-QGZVFWFLSA-N 443.504 2.250 30 10 IEEE C=CCn1c(SCC(=O)NCCN2CCNC2=S)nnc1-c1ccc(Cl)cc1 1182042961 AVLVHHFGYFMNJP-UHFFFAOYSA-N 436.994 2.183 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@@H]3CCC(F)(F)C3)CC2)cc1 1251517189 OSYHJPMRAYTCRX-HNNXBMFYSA-N 426.489 2.400 30 10 IEEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CCC1 1255362408 DUSGYEOSNCODAN-KRWDZBQOSA-N 448.593 2.180 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1286305236 LAKQMHKHVILHGI-KRWDZBQOSA-N 444.499 2.348 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286396595 GKKPBLKYYKQSEM-BGYRXZFFSA-N 433.560 2.366 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(C(C)=O)CC1 1286422934 CYVBEYBLCNDRCV-UHFFFAOYSA-N 447.539 2.438 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)c2nc(C)cs2)CC1 1286470842 DKHIZHGVJCQVRE-FUHWJXTLSA-N 432.594 2.326 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2COCCO2)CC1 1286472187 RCEQYNRXWXSKSW-RTWAWAEBSA-N 439.560 2.206 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1286476901 JCNJKXIYQYZKCJ-JOCHJYFZSA-N 435.551 2.481 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286564307 MRYMZVKTUNXMBC-DYXWJJEUSA-N 445.589 2.259 30 10 IEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286706017 JAWPPEUIHPAQOJ-SFHVURJKSA-N 440.548 2.442 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286785741 RKXKPIBIRKXCCY-SFHVURJKSA-N 447.543 2.366 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1286814169 MBZLFJGYSXSFCO-PKOBYXMFSA-N 432.546 2.363 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ncc(CC)s1 1286820660 OUVFBFBPXTUAMD-OAHLLOKOSA-N 439.607 2.428 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1288517071 IENRWRSCMODIQJ-ZIAGYGMSSA-N 443.458 2.355 30 10 IEEE N#Cc1cc(Br)ccc1CC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1290472473 CLLRYPBCDQQGAM-FQEVSTJZSA-N 441.329 2.234 30 10 IEEE C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1291641620 QGHKWPLEMGJDNV-YLJYHZDGSA-N 432.565 2.312 30 10 IEEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc21 1293033530 YLVMDYAVZDZHMQ-ZZEZOPTASA-N 426.473 2.240 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CC(=O)N(CCOc4ccccc4)C3)n[nH]2)c1C 1293900561 QQJIIHWZGCIBFL-GOSISDBHSA-N 448.527 2.486 30 10 IEEE C#C[C@H](NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2)[C@@H]1CCCO1 1296701126 LKRDYHIXGWMZOQ-UHOSZYNNSA-N 427.501 2.375 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1(C#N)CCC1)n2C 1299492039 CXZFUXYMJBUQJQ-UHFFFAOYSA-N 431.562 2.346 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 1300206116 DFTZSXRBWNAUFM-VGOFRKELSA-N 426.542 2.006 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1300276752 QQYMDUXHNRPOTG-QKKBWIMNSA-N 432.546 2.297 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1300296494 YGRGKXCOUQYPRA-MRXNPFEDSA-N 427.530 2.224 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1300309812 IXIYNVVZLUREAM-AEFFLSMTSA-N 443.552 2.135 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cccc2SC)CC1 1300681579 UMMJEJDMHCPNLC-UHFFFAOYSA-N 430.553 2.081 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1300695885 OFDHJAPXXUMGTD-FQEVSTJZSA-N 439.951 2.475 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1300897023 MWZWAKGCJYQAOL-CROMWVBPSA-N 448.564 2.301 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1301142271 ZQJKTKHRFGQYIC-LJQANCHMSA-N 441.532 2.270 30 10 IEEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1301198729 BSTYXEQLXXJAGQ-HKBQPEDESA-N 441.557 2.423 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)OC)CC1 1301492017 VEKAIGZHCLSKHG-UHFFFAOYSA-N 434.500 2.185 30 10 IEEE COCCCOc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1301674518 NBTSBLKJMWYAOX-QFIPXVFZSA-N 448.527 2.456 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@H](C)C1 1301806556 KUXJAXDNTXCVFI-KRWDZBQOSA-N 443.552 2.104 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(NC(C)=O)c1 1302029638 PSHXJWOJCSLZRV-YCRPNKLZSA-N 430.484 2.451 30 10 IEEE COC(=O)CCN1CC[C@H](N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1308123550 AWDNIZSOICOXKK-AEJSXWLSSA-N 438.315 2.253 30 10 IEEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2)[C@H]1CCCO1 1309422672 YXPDHFYLZCEWAO-DZGCQCFKSA-N 427.320 2.183 30 10 IEEE CN(Cc1ccccc1)C1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1313266782 ZPRTWTPOPKJDLT-UHFFFAOYSA-N 448.571 2.466 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1313895382 HRGHVVBUCCRXGC-UXHICEINSA-N 442.589 2.314 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)c1 1355123629 MKMYGRXQHRNGHU-OAQYLSRUSA-N 437.496 2.396 30 10 IEEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358925463 FYQLRDOZWIKXSY-SFHVURJKSA-N 438.557 2.425 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358960800 MCNRBMUPXYMMFI-GBESFXJTSA-N 444.605 2.020 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358967452 KRHOZUZVZCQORN-WOJBJXKFSA-N 428.558 2.307 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(=O)(=O)CC 1358973469 SQPULTYDFZTWPJ-UHFFFAOYSA-N 440.356 2.264 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1358999227 KOKJNLFUTXSPKM-UHFFFAOYSA-N 434.544 2.144 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(S(C)(=O)=O)cc1 1358999272 LWCWLTFPAMKRQE-UHFFFAOYSA-N 431.562 2.108 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1359014813 XTWXVVNEEJCEPM-MRXNPFEDSA-N 434.587 2.473 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1COCCO1 1359022098 MXLKRMZUZWGSJB-OAHLLOKOSA-N 435.322 2.209 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359145736 ASIYELITKHKRPF-UHFFFAOYSA-N 431.349 2.264 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1359290669 LIZZITXZQDMMBE-JOCHJYFZSA-N 429.521 2.288 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359302953 ZCARFPVHLBUQQD-UHFFFAOYSA-N 446.577 2.290 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3cc(F)cc(C)c3C2)nnc1[C@]1(OCC)CCOC1 1359305973 RUQIEXKZDUZDJE-QHCPKHFHSA-N 443.523 2.243 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 1359313906 SVSGOZLLTXIWEH-RDJZCZTQSA-N 437.541 2.165 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C(C)C)C1 1359314764 HOLZUUTWHBKVMF-IBGZPJMESA-N 447.605 2.470 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1359323673 URWNZDCDTTXZGN-FGZHOGPDSA-N 440.592 2.402 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCc2oncc2C1 1359333926 OKSSULLXFFZEEK-UHFFFAOYSA-N 427.530 2.329 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1359336292 KVYHRKXHGILGTB-UHFFFAOYSA-N 428.562 2.169 30 10 IEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)cn1 1359408152 DZZRVIFYAYFNTL-UHFFFAOYSA-N 447.499 2.357 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1360312739 AUTSAQFCAGMFTM-LPHOPBHVSA-N 432.496 2.276 30 10 IEEE Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1361117245 CWEUXVCUDTXOEB-QHCPKHFHSA-N 437.548 2.285 30 10 IEEE Cn1cc(Br)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1=O 1437245573 RLNRQBNOJXLFDR-UHFFFAOYSA-N 429.318 2.414 30 10 IEEE O=C(Cn1nc2ccccn2c1=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1439786367 FAQPYVITPOLSLX-DTORHVGOSA-N 444.282 2.125 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)s1 1448239901 ATFYBRBIEWRTOR-MRXNPFEDSA-N 449.554 2.073 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(Oc3ccc(F)cc3)n2)c1 1457924920 ABVAOHSTXPVCBN-UHFFFAOYSA-N 440.456 2.479 30 10 IEEE Cc1ccc(NC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N(C)C 1460497238 DVVKPUZQFTWXBI-UHFFFAOYSA-N 441.557 2.330 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 1469875429 YPCRIJIMFZUFRD-HXUWFJFHSA-N 428.510 2.073 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)cc1 1470809212 QYXWLCFSKVZNAU-UHFFFAOYSA-N 425.825 2.229 30 10 IEEE COC(=O)[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 1473830549 AIOIRLFHLVORRD-INIZCTEOSA-N 430.461 2.308 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1478735868 LZBQELFZVAWZBA-SFTDATJTSA-N 447.624 2.199 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1499298741 BTNOXJBRXWCYSP-HXUWFJFHSA-N 438.532 2.117 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(NC(C)=O)c1 1503066978 DHZBZUIJRXEIBW-UHFFFAOYSA-N 447.499 2.356 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1503272737 BUEZMYBHWIVRSW-BWTSREIZSA-N 428.562 2.381 30 10 IEEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CC[C@H]21 1503642994 GIOGUXBRFBNAGV-DLBZAZTESA-N 430.459 2.155 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCc2nccn2C1 1504887369 PNUDJEMBLRJHQY-KRWDZBQOSA-N 440.577 2.459 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1OC 1507514048 LWFBFQFHAFAHFH-MRXNPFEDSA-N 441.532 2.241 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1507611800 MPOXBHFKKKYAFF-IBGZPJMESA-N 438.576 2.059 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1507625483 JWMHNJUHALOLIN-MAUKXSAKSA-N 440.529 2.067 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1507630244 VODPMFCMHFIVBF-GOSISDBHSA-N 439.516 2.349 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cnc2ccccc21 1507642794 ZQLFPWYYKRVPLY-XMMPIXPASA-N 432.528 2.443 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507755887 WWKIBYSEXKJMPA-SFHVURJKSA-N 432.638 2.339 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507756324 MQFSEGDUAHLTOF-UHFFFAOYSA-N 441.605 2.214 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1507773736 VSRCICLQPIUOLY-FDDCHVKYSA-N 442.585 2.448 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507797212 RRJXNVPHZXFGDQ-IEBWSBKVSA-N 449.577 2.299 30 10 IEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1507852094 IRNVPLMIPMNTJC-ICSRJNTNSA-N 445.589 2.356 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1507968610 VZDBRVYRUQOMOP-OALUTQOASA-N 448.593 2.119 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)F)C1 1508142858 BSEZZHIPPYVGMB-INIZCTEOSA-N 425.505 2.346 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1519296186 OIVMELRFLRNIEB-ZRCGQRJVSA-N 448.612 2.489 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CC2=O)cc1 1520096408 ABIQTYGORYKXNF-SFHVURJKSA-N 449.486 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1539030714 TUIBTOOMLJJKPT-PMACEKPBSA-N 435.576 2.213 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1539220750 VBIZFTJBGLNPEB-VQTJNVASSA-N 435.638 2.368 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1539369896 PIMAMHOPWIOFEF-QGZVFWFLSA-N 431.562 2.260 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1C 1539409282 VIGGODQIEKATHY-UHFFFAOYSA-N 443.511 2.030 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC(C)C)CC1 1539470506 SCKGHIBBPNGYKC-UHFFFAOYSA-N 440.504 2.244 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)OC)CC1 1539489663 VLGTWALBHAUEPB-LJQANCHMSA-N 439.560 2.475 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(F)c(F)c2)CC1 1539490204 SRDKEPAWVGMHIC-UHFFFAOYSA-N 431.487 2.301 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540864966 QGHMIOXDGMXBMO-INIZCTEOSA-N 443.895 2.170 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1540869725 VBBPBBVGUBDILS-OAHLLOKOSA-N 436.438 2.187 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1540899722 YMLXZNVIRNBGBV-LJQANCHMSA-N 429.546 2.279 30 10 IEEE CC(C)(O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541244819 RACQFGFFYXUUGV-SFHVURJKSA-N 425.493 2.191 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 1542894831 OMPNTDPTWLSHLU-INIZCTEOSA-N 425.451 2.048 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(C(=O)N(C)C)CCCC1 1555625575 DVBQAUPBRLHFLK-KRWDZBQOSA-N 432.569 2.391 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1557299485 PQLCHEUMUXPIFI-DEOSSOPVSA-N 442.560 2.401 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)Cc2cc(OC)cc(OC)c2)c1 1566388375 KCQLQWRFJBIFDB-SFHVURJKSA-N 445.537 2.082 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)C1 1570831392 NVYVZIHNWDEIRT-LJQANCHMSA-N 427.526 2.468 30 10 IEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)c1ccccc1 1584688218 XCJHSGKELMIAKI-SFHVURJKSA-N 444.509 2.348 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2COCCO2)c1 1587692790 LRRSQNGXIBMLLR-IBGZPJMESA-N 425.533 2.338 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1588053080 ATQZCRKCKMNOOA-SFHVURJKSA-N 444.557 2.238 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1cc(C)oc1C 1588090409 WMSWNSFUNRZPAH-PKTZIBPZSA-N 426.517 2.121 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1588109406 DHRIZODWARSUPN-RBUKOAKNSA-N 430.516 2.199 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1588293159 PDQPSLACJGKYFX-UHFFFAOYSA-N 426.546 2.281 30 10 IEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O 1588574387 GRKJLSVCAFNBAL-KSFYIVLOSA-N 429.496 2.122 30 10 IEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N[C@H](C)CC)CC1 1588865356 VHSDABKHXCSMEO-HXUWFJFHSA-N 438.576 2.226 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCCN1CCCC1 1589150767 KROQWZJFHJDPKH-WIYYLYMNSA-N 436.626 2.147 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCN1CCOCC1 1595093858 IKJTYSLGYPYJPN-UHFFFAOYSA-N 446.559 2.465 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1595116390 REEJKZIOMWRUIN-IBGZPJMESA-N 426.546 2.339 30 10 IEEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)c1 1595390792 YMXLSAYSYMDDSJ-VMPITWQZSA-N 426.444 2.410 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccsc2)CC1 1595789474 TVBNINGMLQUFOC-KRWDZBQOSA-N 449.602 2.276 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@]2(C)C3)nnc1[C@]1(OCC)CCOC1 1595831337 PEUOTXSWQVMNQT-QMMLZNLJSA-N 438.594 2.300 30 10 IEEE COC(=O)[C@H]1CN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 1612973888 CNPLEMUGSYVWDJ-CYBMUJFWSA-N 434.424 2.452 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1615213109 GFECBPFKWYLLHS-LJQANCHMSA-N 431.562 2.383 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1618757752 HDQHJHQQDOGCGO-MRXNPFEDSA-N 449.481 2.273 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1618758708 OFNWVCMZWFRNSJ-OAHLLOKOSA-N 441.536 2.302 30 10 IEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1618788128 DXCWRPMNNXNKKS-LJQANCHMSA-N 447.547 2.078 30 10 IEEE CO[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619504375 TYOSBWCXVCHOGE-DVSFIDLUSA-N 442.545 2.072 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)CCO1 1619753923 GSYSTXGNBIGEEQ-NZQKXSOJSA-N 441.532 2.395 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NC(C)C)CC2)n1Cc1ccc(C#N)o1 1620101137 RRYXDJBACRYNPS-JXFKEZNVSA-N 428.537 2.482 30 10 IEEE C#CCN(CC(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1)C(=O)OC(C)(C)C 1626825533 HCMGPFNTZDCJAM-UHFFFAOYSA-N 444.532 2.167 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1 1631164533 ZLPDXJYDDDODHC-VXKWHMMOSA-N 441.553 2.477 30 10 IEEE Cn1ccnc1[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(C)(C)CO 1634460587 HICMBDXYJYNMLV-ABHNRTSZSA-N 426.521 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)OC2=O 1635193262 DVTZIKVYJXEKPB-ZWKOTPCHSA-N 443.500 2.041 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1638910762 HHUADZPUYPZPAB-IEGUWTFLSA-N 441.532 2.240 30 10 IEEE Cn1nccc1[C@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639547507 KXUCCMLWACSCTK-GOSISDBHSA-N 430.306 2.091 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 1647906349 LJCMIYXSGPWCRX-QFIPXVFZSA-N 449.573 2.496 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1 1650846222 NYPJJBLQZJLWHO-UHFFFAOYSA-N 448.548 2.436 30 10 IEEE O=C(c1cn(C(F)(F)CO)nn1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039636 QRVAGQTXNCXJTC-PHDIDXHHSA-N 444.229 2.063 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3c3nccc(C(F)(F)F)n3)CC2)o1 1654153253 YPASGJHYRQRFHF-OAHLLOKOSA-N 449.437 2.149 30 10 IEEE O=C(NCCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1 1654811831 OPHPNWAAVNUWHF-UHFFFAOYSA-N 430.505 2.303 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)n(C2CCCCC2)c1C 1655409734 MYXFMFWNSONWEM-CTNGQTDRSA-N 427.549 2.400 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC(N3CCCNC3=O)CC2)cc1Br 1662960519 CAACLDXFONESCT-UHFFFAOYSA-N 445.314 2.028 30 10 IEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 1665589450 GHCRVBRQDJDEKZ-UHFFFAOYSA-N 428.489 2.335 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 1669191212 ZJAOODADFLQTER-HSZRJFAPSA-N 437.565 2.165 30 10 IEEE C#CCC1(O)CCN(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1681313461 JFHLTZMDKCNYHL-SFHVURJKSA-N 447.601 2.175 30 10 IEEE CC[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(S(N)(=O)=O)c1 1684052411 CYGRAFQBMWHLFL-FQEVSTJZSA-N 427.530 2.189 30 10 IEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(C)(=O)=O 1690003281 JUKOMBXBAZSTHO-UHFFFAOYSA-N 439.566 2.494 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1690011776 CSIRZLKGAQUOPZ-FQEVSTJZSA-N 426.402 2.258 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1690068032 URCLAYSUFTXRMF-MRXNPFEDSA-N 432.546 2.247 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1690202919 KUAKKRWKUBPRDU-HSZRJFAPSA-N 433.516 2.196 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NC)CC1 1690302474 FZVRDVOYPDTSHD-UHFFFAOYSA-N 428.493 2.408 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690342552 OGGLXTWWLIGLTL-UHFFFAOYSA-N 449.943 2.342 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](OCC(C)C)C1 1690665693 MQDBYHSLJKWSPV-GOSISDBHSA-N 441.532 2.270 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690675923 JSRPKRCDLPJBOC-MRXNPFEDSA-N 439.495 2.026 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncnn2C(C)(C)C)C1 1690712433 VRPBRBUQBQNMCJ-SFHVURJKSA-N 439.568 2.316 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1691002221 YHDXTABODGEGBS-MRXNPFEDSA-N 436.495 2.355 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1695509163 YUNDREJBNKDSMG-QFBILLFUSA-N 426.521 2.068 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCC(=O)NC2CCCCC2)CCO1 1698492340 DZIHPCFXJUPVGJ-SFHVURJKSA-N 428.562 2.498 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCc2cn[nH]c2)c1 1705507305 XSBPLWSXXINRMT-IBGZPJMESA-N 433.516 2.194 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705566635 PVYUOJVGVYCNBL-SJORKVTESA-N 428.562 2.188 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1705587922 OKRPXKVVHRALHE-NRFANRHFSA-N 436.535 2.419 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1705663705 OOJVMIUITBVTHC-UHFFFAOYSA-N 448.614 2.279 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)F 1705678204 RFPPSWZMERMLPX-OAQYLSRUSA-N 433.459 2.239 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCOCC1 1705857507 WTYDXADJCZWUJA-UHFFFAOYSA-N 436.516 2.333 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1705877800 DQAMGSFGILGEOS-WMZHIEFXSA-N 425.533 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705905522 YEVZHPCQOVPMOL-OAHLLOKOSA-N 445.392 2.217 30 10 IEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705907159 BVOSGJZMUDBPFP-OAHLLOKOSA-N 430.578 2.444 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(OC)C1 1705913051 CIYYUOVNCMLEAB-KRWDZBQOSA-N 432.546 2.018 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)C1 1705925097 LDPXBBIMYQWLGH-PMACEKPBSA-N 446.573 2.178 30 10 IEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1708824994 GXNWYPAMORNRRS-IBGZPJMESA-N 440.548 2.385 30 10 IEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1709413790 FHULIHUAHSZJIK-LJQANCHMSA-N 437.548 2.180 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1711300118 AVNMWHPQOGMLEH-PBHICJAKSA-N 430.603 2.484 30 10 IEEE COCCn1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1712467401 CMKAFSFXSPPOKC-JOCHJYFZSA-N 439.495 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722275243 CLZQPAYGTMPVQN-MHORFTMASA-N 438.642 2.103 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCOCC 1722290967 HLVFMQXAXHJJSF-PKOBYXMFSA-N 425.533 2.459 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(CCNC(C)=O)Cc1ccsc1 1722321616 IKJURSOXOITVCB-UHFFFAOYSA-N 428.562 2.132 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1722367636 NGRHWKBEINXWRJ-CVEARBPZSA-N 426.633 2.021 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722459285 HGRBABVIOCMSQA-KRWDZBQOSA-N 426.608 2.290 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722461796 GYXYZQBIGXYRSC-IEBWSBKVSA-N 431.631 2.454 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CNC(C)=O)CC1 1722481185 WMKNYFWRXDFVIR-CQSZACIVSA-N 444.374 2.263 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722522200 DOCRKIAWQWOWEN-SFHVURJKSA-N 426.496 2.297 30 10 IEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1722531039 MCAFRLFWLXSDFU-UHFFFAOYSA-N 428.537 2.398 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722695434 CKLDBOLKDYOQHM-XMMPIXPASA-N 449.559 2.295 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722738706 NZWQHPGYMQNNDO-DLBZAZTESA-N 440.577 2.078 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)N(C)C 1723246840 HSGSWWVWPDLGKI-VQTJNVASSA-N 437.548 2.434 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1728945417 HQOAAVRUWIKBEA-IEBWSBKVSA-N 429.546 2.257 30 10 IEEE CN(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1cccc(F)c1 1729318341 GOJUCZXJAQSEJV-NHCUHLMSSA-N 435.507 2.435 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1730670628 HXCXSHFSYGBMQL-HSZRJFAPSA-N 438.532 2.262 30 10 IEEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731191032 XNMGOUQHGNCMPL-MJGOQNOKSA-N 426.496 2.148 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1740609007 GFSICDSTKCMOML-WMZOPIPTSA-N 446.573 2.146 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC[C@@H](F)C2)n1 1740688618 HCYBJJRFDNQYKM-IEBWSBKVSA-N 440.527 2.300 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOC(C)C)CC1 1740706788 CQWKLLVGQWUJGT-UHFFFAOYSA-N 430.578 2.025 30 10 IEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740862368 QLXGZPDWJYVVIY-DLBZAZTESA-N 442.568 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(CC)CC)CC1 1740953528 IYLYVBYORKTRLU-UHFFFAOYSA-N 441.536 2.466 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740962159 UWISEPRECVRDKD-MRXNPFEDSA-N 438.454 2.114 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)CN1CCCCC1 1744688891 HALHIVLYAWUQLR-SFHVURJKSA-N 439.612 2.203 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1745202852 FPTZXLJALPZDPL-QGZVFWFLSA-N 429.569 2.083 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(F)F 1748664180 DHIFQKKCOLIOFW-CQSZACIVSA-N 430.459 2.322 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)no1 1748680385 RKAHLSFIBJPSOD-HXUWFJFHSA-N 433.560 2.445 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1748876428 FTBSCAQXQINTMM-RBBKRZOGSA-N 444.543 2.445 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccccc2)CC1 1749016688 KVHRLHDHYPFISJ-UHFFFAOYSA-N 444.539 2.309 30 10 IEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749209011 JFHSWKZXRBSGHF-NSHGMRRFSA-N 427.553 2.473 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749255686 HEMFRXJCVZYKNZ-AWEZNQCLSA-N 425.942 2.176 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1749650350 TWOJYHQXRDHAFJ-KRWDZBQOSA-N 440.548 2.453 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749681612 FEHZRMODAOVWIQ-QHCPKHFHSA-N 447.580 2.018 30 10 IEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749745785 HVCATHWZBPAFLL-UHFFFAOYSA-N 447.561 2.216 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760148000 KTLFFDLISPMWIU-KRWDZBQOSA-N 439.516 2.195 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760158320 LYWRBUMVTJJGLA-SFHVURJKSA-N 427.530 2.156 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(C)CN(C)C1=O 1760168087 NODDLGBSHYKVRN-IBGZPJMESA-N 432.322 2.264 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1760181773 BJBNCHADDYOQIF-SFHVURJKSA-N 431.562 2.260 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCC1(O)CCOCC1 1760223595 WABIGEGOOXKBNN-UHFFFAOYSA-N 426.492 2.391 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760243259 DJZVEHMMCXBLGD-RBUKOAKNSA-N 431.581 2.441 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(Cc2cc(C)no2)CC1 1760327279 FTDXJAMVJKQDGJ-NQIIRXRSSA-N 430.553 2.414 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760349680 VWDDDOWBXMBNKM-QFIPXVFZSA-N 432.569 2.234 30 10 IEEE CC(C)(C)NC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1760772649 ABOYUBIEEZJXEH-JOCHJYFZSA-N 438.511 2.263 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC1CC1 1761501112 FGXWGUKOZVXEAQ-KXBFYZLASA-N 444.561 2.138 30 10 IEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763903944 AUYVJYKMBVYLLC-AZUAARDMSA-N 438.580 2.106 30 10 IEEE CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1764069455 FFYLDXSZSAAGQW-HAGHYFMRSA-N 434.585 2.097 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 1768281229 PBYPGCFDTDQSCN-IBGZPJMESA-N 428.562 2.382 30 10 IEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1769569257 YPOUUIQPCDRNBZ-QGZVFWFLSA-N 428.500 2.445 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCO[C@@H]2CCOC2)CCO1 1770746440 GEOKQFGNXBQVNO-MSOLQXFVSA-N 449.458 2.471 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC 1772523271 YDNZTQIVYUDMSK-OAQYLSRUSA-N 432.546 2.389 30 10 IEEE N#Cc1c(NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)nc2n1CCCC2 1849917234 ZKSFGMUFFLRKOM-UHFFFAOYSA-N 435.532 2.039 30 10 IEEE C#Cc1cc(C#N)c(C(F)(F)F)cc1NC(=O)[C@H](C(C)C)N1CCS(=O)(=O)CC1 1851739007 GCCXQSNEFIRJSM-KRWDZBQOSA-N 427.448 2.252 30 10 IEEE Cc1ccc(CN2C[C@H](C(=O)N3CCC(C(=O)Nc4ncccc4C#N)CC3)CC2=O)cc1 1852423131 MQOBSEAQKPBHBF-OAQYLSRUSA-N 445.523 2.488 30 10 IEEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C2)CC1 1855041891 PGBLIVHOZFZTPO-SFHVURJKSA-N 434.558 2.132 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCC)c(C(=O)O)cc2=O)nc1C 1857883568 QEIBHMBZNHVPFR-UHFFFAOYSA-N 435.458 2.082 30 10 IEEE COc1ccc([C@H](C(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)C(C)C)cc1OC 1866992025 SUMZQWOPEHTXLE-GHTZIAJQSA-N 425.485 2.431 30 10 IEEE O=C1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])=NN1 1875150977 OCDUKLGSRMUPPK-ORCRQEGFSA-N 437.364 2.391 30 10 IEEE C#CCOC1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)CC1 1890827225 KUNVJKAMPCJMDC-FGZHOGPDSA-N 428.554 2.484 30 10 IEEE C#CCOC1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2ccc(OC)cc2)CC1 1890827226 KUNVJKAMPCJMDC-VXKWHMMOSA-N 428.554 2.484 30 10 IEEE C[C@H](N)C#CC(=O)Nc1cc(I)cc(I)c1 1902006442 NCVXVWJPGZMVHO-ZETCQYMHSA-N 440.022 2.185 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N[C@H](CS)C(=O)O)C1 1984899146 JAEDZXLWLSLNEM-IERDGZPVSA-N 438.546 2.330 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1993269355 FOONNZGTCHDKNM-OAQYLSRUSA-N 427.542 2.336 30 10 IEEE C#CCN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[C@@H]1CCOC1 2009820119 OULGVVRMLZYHKY-HYBUGGRVSA-N 427.545 2.407 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2010126558 GGAYEPWWJGIDGC-OAHLLOKOSA-N 440.541 2.062 30 10 IEEE Cn1ncc(Br)c1S(=O)(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194175787 RCWCDKWUVRLJMV-MEDUHNTESA-N 446.176 2.430 30 10 IEEE COC(=O)C1(Oc2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2232301218 CZBYKTAOWOKSLF-UHFFFAOYSA-N 448.325 2.231 30 10 IEEE C=CCCC1(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2243167995 NASBDGCDTVSEMT-OAHLLOKOSA-N 427.542 2.192 30 10 IEEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248405647 SFSXVYWXQHUEKU-VXGBXAGGSA-N 441.359 2.464 30 10 IEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256916978 NWDRQQARDKFDCO-HIFRSBDPSA-N 446.334 2.231 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2259355131 KJJLXESOEYTPJO-GOEBONIOSA-N 431.342 2.414 30 10 IEEE Cn1ncc(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267011654 IYXNFWBSZAAXLJ-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cc1c(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267134375 OOBKOYHCGRSOED-UHFFFAOYSA-N 448.373 2.203 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 2267145022 BDCMZEAFWHXOOR-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267178793 HFTHONNFDVWQAB-LSDHHAIUSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267192076 LWNHIHWJWMOFDN-FPTDNZKUSA-N 446.357 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267266423 CNXHXDLCJNVBPG-ZWKOTPCHSA-N 446.353 2.086 30 10 IEEE Cc1nn(C)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267517971 AZGUYTUMCYEMTA-IBGZPJMESA-N 438.381 2.422 30 10 IEEE Cn1nc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CCC2)cc1B1OC(C)(C)C(C)(C)O1 2267536742 LVXVKQKIQXNKEZ-UHFFFAOYSA-N 448.373 2.192 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)nn1 2271595665 AMTONIYJVOTBHL-UHFFFAOYSA-N 449.361 2.291 30 10 IEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccn1 2329056514 VZZHBFXGNRQZQJ-HNNXBMFYSA-N 430.534 2.325 30 10 IEEE CC(C)CCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C 10103104 AOHFYGDHOWHJLS-UHFFFAOYSA-N 449.309 2.384 30 10 IEEE CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)NCCN2CCOCC2)cc1 22694892 SJWKZFSTIZMYJY-UHFFFAOYSA-O 428.578 2.406 30 10 IEEE CCC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)n[nH]1 59890252 BYPMULSPZKYPAS-KGENOOAVSA-N 449.585 2.336 30 10 IEEE C=CCN(Cc1ccc(Cl)s1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 69435607 GGHXJJWJTZCGTE-UHFFFAOYSA-N 435.937 2.144 30 10 IEEE COc1cccc(/C=N/NC(=S)NCCN2CCOCC2)c1OCc1ccccc1 169884248 UFUOVOUHVHTDMK-LFVJCYFKSA-N 428.558 2.404 30 10 IEEE COc1ccc(-c2nnc(N/N=C/c3cc(OC)c(OC)c([N+](=O)[O-])c3)[nH]c2=O)cc1 169898935 FHULZYLUIUMSRB-KEBDBYFISA-N 426.389 2.212 30 10 IEEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 238823723 DGDPWMBAOHKFFJ-JOCQHMNTSA-N 436.440 2.465 30 10 IEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cccc(C)c2)C1 256033265 NPUHARXPMDMMBO-IKGGRYGDSA-N 435.484 2.494 30 10 IEEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 460386882 MAJLWJRDRNVYAY-MBSDFSHPSA-N 436.516 2.345 30 10 IEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccncc1 460693621 XSRNTQCWAJMUEU-OAQYLSRUSA-N 437.463 2.687 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cn3)c(=O)n2C[C@@H]2CCCO2)cc1 462431593 XDWLQZWLESTUFP-FQEVSTJZSA-N 445.544 2.487 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c1 478681274 ZSXAFILKSWXVOH-UHFFFAOYSA-N 430.511 2.352 30 10 IEEE COC(=O)c1ccc([C@H](NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C(F)(F)F)cc1 481440610 TYEGHAJLUPDYOQ-HKUYNNGSSA-N 440.466 2.359 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482554925 IFFNJLZCRYFCNH-KBPBESRZSA-N 427.551 2.140 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 494238521 RLAVDGYUQVTUCW-IPJJNNNSSA-N 449.958 2.033 30 10 IEEE CC(C)(C)n1ncn(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O 499486983 RLKHBZXZPRTJHN-OAHLLOKOSA-N 426.521 2.169 30 10 IEEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 508496214 CUKZXRGUADTWOG-UHFFFAOYSA-N 448.549 2.472 30 10 IEEE CCN(CC)C(=O)C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508638813 LEOYLNAFPRPIIO-FQEVSTJZSA-N 425.533 2.344 30 10 IEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 508882314 WRTVXDSSBISUKO-UHFFFAOYSA-N 441.532 2.224 30 10 IEEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513785978 XJBAVSQQOUXADA-IBGZPJMESA-N 441.553 2.252 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@](CO)(c4ccccc4)C3)C2=O)cc1 513914704 IQJDEGFTGSHUOU-SQJMNOBHSA-N 446.507 2.316 30 10 IEEE CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1nnc2ccccn12 522360149 OSZWNLDHHVXAQA-GOSISDBHSA-N 426.502 2.048 30 10 IEEE CSc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 527372029 KLSBZRWOQXCNSX-UHFFFAOYSA-N 430.555 2.496 30 10 IEEE CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccnc1C#N 538897954 NGBINDBVPSTJPT-UHFFFAOYSA-N 431.518 2.355 30 10 IEEE C[C@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 540200056 ANUGCSBQFJDBBJ-DNZJRFRTSA-N 429.476 2.392 30 10 IEEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)ccc1[N+](=O)[O-] 552650266 QFVSKHJAQRQWFM-UHFFFAOYSA-N 425.466 2.034 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3c3nnc(C4CCC4)o3)CC2)o1 553924698 ISDILKRFHLWZTA-GOSISDBHSA-N 439.520 2.381 30 10 IEEE C=CCOC[C@H]1NC(=O)N(Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C1=O 557368349 GLXIIYSFELWAOK-LJQANCHMSA-N 445.497 2.119 30 10 IEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 608861186 BTEWMDXDXIETSS-UHFFFAOYSA-N 439.541 2.443 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCSCc1nc(O)c2ccccc2n1 740525191 MHYKFLVWOJBPAC-UHFFFAOYSA-N 442.522 2.477 30 10 IEEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 751923595 IRODOGMBVJVXMI-BEFAXECRSA-N 449.536 2.331 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(CO)C(=O)O 757439442 ZCVQNQNCGXECMI-GBXCKJPGSA-N 438.480 2.422 30 10 IEEE Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760408433 KEUXYIBWPILKMR-GZTJUZNOSA-N 432.481 2.039 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc3ncsc3c2)c1 775278216 ZMOUEBGGMAKCBK-UHFFFAOYSA-N 441.534 2.332 30 10 IEEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 780205574 MOEZYQYNJJQZSJ-KWLWZDKESA-N 425.485 2.318 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 783308014 FEIJXGRDZUCTIQ-DLBZAZTESA-N 429.583 2.408 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 800774727 BUVFENOHFXWLDA-QGZVFWFLSA-N 447.561 2.161 30 10 IEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 800774939 GZSQIIYOZPQNRX-KSFYIVLOSA-N 428.489 2.164 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(C#N)cc1F 804162204 UVESMNDCPXIXBB-SJORKVTESA-N 430.480 2.314 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 811042479 NDXFPSAJGDFPIA-SNPRPXQTSA-N 426.489 2.067 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cccc(C(F)(F)F)n1 817445919 BUWRKJJHKJYIHJ-UHFFFAOYSA-N 440.447 2.278 30 10 IEEE CC(C)Oc1ccc(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1C#N 1137641541 HUMTUGXTNBKTLV-KRWDZBQOSA-N 437.905 2.277 30 10 IEEE CCN(CC)C(=O)CN1CCC(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1140237466 WDQYYSIGULPSJY-UHFFFAOYSA-N 448.608 2.086 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1nn(C)cc1I 1140973040 ZQKJOEXRTKRSKP-UHFFFAOYSA-N 440.289 2.001 30 10 IEEE N#Cc1cn(CC(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c(=O)nc1O 1142662218 ALFBOJJNCJTKGH-UHFFFAOYSA-N 449.854 2.202 30 10 IEEE C#CCN(C(=O)Cc1nc(C2CCOCC2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1155366961 JEJIFWVIDROTJD-UHFFFAOYSA-N 431.537 2.103 30 10 IEEE Cn1ccnc1N1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1156740799 ABDYXPDJKDDSCE-WCCYLALTSA-N 442.564 2.292 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1C(F)(F)F 1175974605 VJYFJIOVEVNZBD-HUUCEWRRSA-N 431.459 2.277 30 10 IEEE C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1192633962 BJKVIXIMKRZMDV-MGPQQGTHSA-N 442.504 2.490 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1198761083 DOLYLJWYXANPNP-FQEVSTJZSA-N 435.613 2.258 30 10 IEEE CC(=O)N1Cc2ccc(S(=O)(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cc2C1 1213799693 PCFNJCGLKZQJBF-IBGZPJMESA-N 425.514 2.081 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c(F)c1 1264377551 KOLJOQGVCQWIEJ-UHFFFAOYSA-N 427.379 2.261 30 10 IEEE COc1cc([C@@H](C#N)NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc(OC)c1OC 1267479937 SZOIMUSACISAFD-GOSISDBHSA-N 439.468 2.179 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286421272 WPCLAIKYGOGAMH-ROUUACIJSA-N 444.532 2.455 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1286432459 LGQWBJUERQWPML-OAQYLSRUSA-N 436.535 2.305 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286608594 RXHSZQZSNIXRBC-FUHWJXTLSA-N 448.593 2.020 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCOCC2(CC2)C1 1286612255 BQENVMXKPWWDGJ-UHFFFAOYSA-N 431.562 2.479 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)on2)CC1 1286634362 UXTYTCYKWDWIQC-WMZOPIPTSA-N 436.944 2.373 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)(C)C)CC1 1286641425 YRWNBXQKLTXVOV-UHFFFAOYSA-N 435.536 2.382 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286693566 UORUHNWKFTZROR-LBPRGKRZSA-N 437.488 2.202 30 10 IEEE C=CCN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1)C1CC1 1286739590 IBVYYBKPHIUNJL-UHFFFAOYSA-N 429.496 2.400 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1286789436 SIASIGZZMOSOBF-IBGZPJMESA-N 426.540 2.375 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC[C@H](SCC)C2)nnc1[C@@]1(OCC)CCOC1 1286793067 QIPLJZFXKBYLAS-LAUBAEHRSA-N 437.610 2.344 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccccc1C 1286819742 UPKUWHLMGTWTDN-GOSISDBHSA-N 431.562 2.165 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1286863139 WFAXIRZBKXIFCN-NZQKXSOJSA-N 444.580 2.317 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(=O)N4CCCC4)CC3)C2)C1 1290477348 NLOTVBSWFUYKDF-OTQYULQBSA-N 445.564 2.133 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1296969303 DTHZIGFTRXMSAO-PKOBYXMFSA-N 429.517 2.089 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCC4(CCC4)S(=O)(=O)CC3)ccc2c1=O 1299421104 OTVOZERQFPUCJB-UHFFFAOYSA-N 433.555 2.055 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1300357509 OZUACLWPOHFKFN-UHFFFAOYSA-N 447.543 2.054 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@]12COCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1300398929 IKCVCORLIYMFDM-YCRNBWNJSA-N 429.517 2.324 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)c1cc[nH]n1 1300512407 JDJSFWIMZVEISY-UHFFFAOYSA-N 438.495 2.028 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCOCC1 1300521624 ZRFXHRIMSZPJAP-UHFFFAOYSA-N 438.528 2.355 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1OC 1300596256 VXGIGSUAMFUWAV-SIKLNZKXSA-N 438.528 2.380 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2CCOC2)CC1 1300689176 RJGQXOJVMXGQFQ-SFHVURJKSA-N 425.533 2.144 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1301406410 VHCHLNYIYKYDIM-QZTJIDSGSA-N 449.552 2.180 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CC2)CC1 1301480603 BJHPXRLRYZJBLY-QGZVFWFLSA-N 442.539 2.391 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(N)=O)C1 1301531820 YLLJLWAGQXMSSM-RBUKOAKNSA-N 425.533 2.487 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 1301555715 DBBMNJRWHYCHDT-RBUKOAKNSA-N 446.573 2.327 30 10 IEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1301735941 GRXYLOXMLMHDLX-SFHVURJKSA-N 442.564 2.311 30 10 IEEE COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1303457627 SSSJUSCKRIDLPA-SFHVURJKSA-N 444.440 2.383 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@@H]1C 1305467852 PRSOVEFKKPXENG-CVEARBPZSA-N 425.537 2.047 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C3(OC)CCC3)nnc12 1306857653 KVCQWGFXORYWPZ-AWEZNQCLSA-N 427.530 2.396 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)C1CC1 1316089218 BNYLRUPFQXINQB-AUSIDOKSSA-N 425.533 2.468 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(SC)CCC1 1316207300 VWDHDMATUTULMO-WMZOPIPTSA-N 434.610 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nnc(C)s1 1358885281 GQKGKPJSAUYFDJ-CQSZACIVSA-N 448.556 2.443 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358966536 RGNWWQIMIHMYHS-QUCCMNQESA-N 433.622 2.122 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1359003151 AFZFTCQCSOTFCD-AVRDEDQJSA-N 444.557 2.146 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccnc1C 1359016896 PACAQUZVBQUSSI-HXUWFJFHSA-N 433.491 2.349 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359052770 PGTWYVMGKXWHCZ-QGZVFWFLSA-N 443.964 2.462 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)nc2)C1 1359315752 AVWFUUUQDNKJKB-INIZCTEOSA-N 439.907 2.317 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C)[C@H]1C 1359334034 RDJBBHGJXSEKJX-DLBZAZTESA-N 428.562 2.352 30 10 IEEE CC(C)CC[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1359898571 AQTXOMDTOVKRBA-XXBNENTESA-N 437.548 2.433 30 10 IEEE C[C@@]1(N2CCOCC2)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1360847807 ZNGHRCJCELKXGZ-JOCHJYFZSA-N 446.502 2.399 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 1467831982 IQZROOKYQCZXCH-MJBXVCDLSA-N 437.566 2.487 30 10 IEEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 1475946700 FQBIAAUYWFZGBZ-GOSISDBHSA-N 429.498 2.212 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1507533339 MBWXJUURZPXQQK-CYBMUJFWSA-N 438.442 2.290 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507629426 MGAXRVKYUWVDDF-SFHVURJKSA-N 443.573 2.316 30 10 IEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1N1CCOCC1 1507695130 VSSWYRVJYVCTAZ-UHFFFAOYSA-N 433.560 2.484 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCN2CCCO)CC1 1507718345 PBBFWEBIOGYLDA-NRFANRHFSA-N 442.995 2.201 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)C)CC1 1507721623 KOIQEUIDZLWENX-SFHVURJKSA-N 442.539 2.227 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cc(OC)ccc2OC)CC1 1507739741 JZJCJWMVNHAOPK-UHFFFAOYSA-N 437.544 2.262 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1507754417 DIHDMISUCOIWAA-NRFANRHFSA-N 425.602 2.341 30 10 IEEE Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511900884 KDWRWVGZDRNRBK-PXBNPBHZSA-N 442.907 2.344 30 10 IEEE CCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1514254825 IDIFZPGHNUXQDS-VQTJNVASSA-N 435.525 2.342 30 10 IEEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)CC1 1519242282 IIKRDVDRSSWWOS-UHFFFAOYSA-N 438.488 2.339 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1519356640 OMZYMHFHYGQZBT-REWPJTCUSA-N 441.532 2.254 30 10 IEEE COc1ccc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 1525819893 XUPBUSSTSZJUDS-NKFKGCMQSA-N 432.502 2.058 30 10 IEEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1531977799 HEINTLRGYMXWPG-IVZQSRNASA-N 443.573 2.405 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccco2)c1 1539043087 NCIUSZNVZUFDKF-MHECFPHRSA-N 449.511 2.339 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1539221409 OJFKMJVUYUJGHH-MSOLQXFVSA-N 438.594 2.209 30 10 IEEE C#CCN(c1nnc(COCC)n1CC1(C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1539231079 OBZPBEQNTSXJPP-FQEVSTJZSA-N 442.585 2.246 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1C 1539350761 YFPIHVNMMLKBJH-HKUYNNGSSA-N 445.589 2.328 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1539649974 HMFZBVOVXRQPHU-MRXNPFEDSA-N 449.577 2.305 30 10 IEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539749841 DHPPWEKGVMUQDP-HNAYVOBHSA-N 431.487 2.455 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539752221 GIDXVQMILBPJHF-QHCPKHFHSA-N 437.548 2.072 30 10 IEEE C=C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1539842559 MRHFXULZZHBERU-UHFFFAOYSA-N 433.516 2.407 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1540870071 DTHBFUYHRSLUMT-IAGOWNOFSA-N 444.511 2.056 30 10 IEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 1540979671 MKHLCAUSKVFPLN-UHFFFAOYSA-N 438.532 2.071 30 10 IEEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1541083792 RGRPKVAGBFFETH-CQSZACIVSA-N 431.928 2.126 30 10 IEEE CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 1546153171 FTOZTMFGLJGKQA-OAQYLSRUSA-N 440.569 2.350 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1547307694 FEYCXORBVRNUKU-IKGGRYGDSA-N 434.541 2.156 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1548049257 HSGPSGMNAZJGTQ-LJQANCHMSA-N 431.500 2.364 30 10 IEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)C1 1554410176 XCRKBWRBZVIGKO-NRFANRHFSA-N 448.474 2.320 30 10 IEEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1557364852 ZSKUEMLGDLWWIV-OAHLLOKOSA-N 433.357 2.285 30 10 IEEE C[C@@]1(C#N)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)C1 1557619816 IZRMZWOCTJWPEC-FQEVSTJZSA-N 425.470 2.445 30 10 IEEE CCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1565112133 XIAVRBUFTRAJRJ-UHFFFAOYSA-N 438.550 2.004 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C)c(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1565326724 FYAFACZKIGFWMI-SFHVURJKSA-N 442.516 2.418 30 10 IEEE C=CC[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1567456643 BLXAWANUJBEHHC-CVEARBPZSA-N 435.525 2.478 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 1583870205 CQLDNCDDYBKITL-RXVVDRJESA-N 440.569 2.000 30 10 IEEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1585178069 VQGLVRFGYNARMO-YVRYJGMNSA-N 429.480 2.036 30 10 IEEE N#Cc1ncn(CC(=O)Nc2cc(Br)cc(I)c2)n1 1586157015 PYYTYPYGRUKKPN-UHFFFAOYSA-N 432.019 2.156 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)c(OC)c3)cc2C1=O 1586542226 NNGVXCXLZUVIGU-ZDUSSCGKSA-N 442.493 2.372 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC(c2nn[nH]n2)CC1 1587876261 XWWQJNVWNLCGQI-GOSISDBHSA-N 437.504 2.312 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1589060421 RKXJLOALDMPBIX-RTBURBONSA-N 425.558 2.044 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589483733 QHDJMDFHBXVAOZ-ULYRPOKDSA-N 430.553 2.197 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCS(=O)(=O)C1 1595120068 LOOYAQVXMCJYFC-MRXNPFEDSA-N 449.552 2.183 30 10 IEEE CC(C)(C)n1ncnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1597409638 GRBTUXSTLTVAEP-UHFFFAOYSA-N 425.541 2.039 30 10 IEEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1618044013 YEXKXOXVTOOUQZ-HTXNQAPBSA-N 443.458 2.348 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1620204634 ZICKTPBXCJLJII-IIBYNOLFSA-N 429.546 2.476 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](N4CCOCC4)CC3)CC2=O)cc1Cl 1623874577 BTFRQIUERPNNRV-QZTJIDSGSA-N 430.936 2.278 30 10 IEEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)C(=O)OC(C)(C)C 1639008708 OKUSYDKOIRWJCH-UHFFFAOYSA-N 445.501 2.086 30 10 IEEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1645674258 SQQWGROOSUHJOB-VWLOTQADSA-N 435.524 2.483 30 10 IEEE C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2C#N)CC1 1654542771 CKGNNRPMCCQDDM-QGZVFWFLSA-N 438.503 2.338 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(cnn2-c2cccc(Br)c2)c1=O 1656767295 UNTIUMSOTKYUAD-LJQANCHMSA-N 443.305 2.399 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1664414982 VMNMUVMBICBVFD-UHFFFAOYSA-N 440.363 2.052 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 1667304247 CXNPYDATHLIICJ-BJJXKVORSA-N 442.331 2.489 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689993881 NBMLPQLANCPOEK-IBGZPJMESA-N 447.630 2.043 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2nccn2C(F)F)CC1 1690129502 ZETOXXOPMCQROP-UHFFFAOYSA-N 429.450 2.403 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1690404670 NARJGMMARSUDAX-UHFFFAOYSA-N 429.546 2.280 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCOCC1 1690615834 UHGABOMWDWVVRU-UHFFFAOYSA-N 433.940 2.486 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1691008215 FUTBLECAZRLJOU-UYAOXDASSA-N 444.605 2.473 30 10 IEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC(C)C)C2)CCOC1 1697225877 HRTIVZKCIMPFJF-NZQKXSOJSA-N 441.532 2.252 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1Cl 1698172638 XIVCAWHOPVXYPY-HOTGVXAUSA-N 435.912 2.463 30 10 IEEE C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1702848705 JREZNAAQZSXZFF-WEDTZATHSA-N 425.529 2.284 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCN(C)C1 1705479345 HTMAPPFWBDXACS-YJYMSZOUSA-N 436.329 2.371 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705540046 LQEAPBFBLLOUTD-RCCFBDPRSA-N 437.610 2.080 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N1CCOCC1 1705677483 QEHDJFLBWHODDH-XMMPIXPASA-N 437.544 2.325 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705728952 FGBUBKGVPPAQMA-GOSISDBHSA-N 430.557 2.059 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908933 XXLPEARQXKZQRE-BEFAXECRSA-N 445.486 2.400 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(S(C)(=O)=O)CC2)C1 1705917629 WXKFGLAUCYIGMU-GOSISDBHSA-N 432.546 2.312 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC=C)C1 1705921123 LYFWQIKLSNMXFK-INIZCTEOSA-N 437.953 2.376 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)N(C)C)CC2)c1C#N 1707807513 CILLJTSYUMZGJP-MRXNPFEDSA-N 427.601 2.057 30 10 IEEE COC[C@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712169750 BRKLDCSDJMKPEQ-HXUWFJFHSA-N 437.523 2.462 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722335210 CNCBPPODTFQTIB-SFHVURJKSA-N 437.935 2.494 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722361845 QIKCNUHPNKUTBM-NLWGTHIKSA-N 445.589 2.495 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1722364615 MBJVKGZDPUXCQX-MJGOQNOKSA-N 440.573 2.423 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722378690 HMKPQZOEKKDIJY-QHCPKHFHSA-N 441.539 2.190 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1722422183 WTHHHORXEZOJQL-OAQYLSRUSA-N 445.527 2.303 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)CC(F)(F)F)CC1 1722434660 URHUMZIHTBRWEH-UHFFFAOYSA-N 441.889 2.243 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1coc(-c2cccs2)n1 1722449982 XBSAAXYDLDJPRC-HNNXBMFYSA-N 426.502 2.080 30 10 IEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722530900 DCANHGQPTZIWMV-FPOVZHCZSA-N 426.565 2.480 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1722587986 HHFZCNWPOBPOLO-RBUKOAKNSA-N 441.532 2.344 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722696475 OYZOJFZSOIYADU-UHFFFAOYSA-N 439.564 2.140 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCCO1 1726636986 DRLDXAUDKQSNRY-FXAWDEMLSA-N 438.532 2.069 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cnccc2OC)c1 1740565033 HHQGXICFLVBSEL-UHFFFAOYSA-N 434.500 2.323 30 10 IEEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1740675533 RHTOPMABOYWUNL-UHFFFAOYSA-N 427.983 2.233 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1740795935 IVNDLUQYPGQRIM-UHFFFAOYSA-N 449.559 2.191 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccs2)CC1 1740818620 PHMKLZXESWXKAF-KSSFIOAISA-N 425.580 2.014 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCCN(CC)C(=O)C2)cc1 1740966367 LKCHXFQACZNPKM-UHFFFAOYSA-N 433.516 2.407 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1741056774 ACRKJAYPSMNKLN-QGZVFWFLSA-N 443.983 2.282 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC(C)(C)C2)CCOC1 1741723116 JUUWWLNOCNFAIF-HSZRJFAPSA-N 446.596 2.169 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1742021750 MDBUYIQOEKTWQX-INIZCTEOSA-N 439.520 2.081 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)CCC(F)(F)F 1746316975 DMOXWJWUESCQOO-UHFFFAOYSA-N 449.481 2.417 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1748802122 LLOJJEUNOULMFR-IBGZPJMESA-N 446.621 2.412 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OC(F)F)c1 1748830174 QAYFPQXPJBLGRT-OAQYLSRUSA-N 431.443 2.048 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCN(C(C)=O)CC1 1748833722 XIZRFMHMFOCWIV-UHFFFAOYSA-N 446.599 2.480 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(=O)(=O)NC 1748873746 XTUCVYWCGTVWMY-UHFFFAOYSA-N 445.614 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(C)=O)c1 1748875223 NVQASDMFZAEBKU-UHFFFAOYSA-N 441.495 2.395 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1748906829 YUEBCHMPLNKZQR-WMZOPIPTSA-N 445.589 2.477 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1748958559 ANNVODGJOLJOBF-UHFFFAOYSA-N 447.543 2.014 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)c(OC)c2)CC1 1749001244 NKSIPVNRMBRCTN-UNMCSNQZSA-N 439.560 2.123 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1749054626 WQSUJZUSQVOAJY-DQLDELGASA-N 437.610 2.212 30 10 IEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1749234514 GEKPJXDCWUAADG-UHFFFAOYSA-N 440.504 2.464 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)no1 1749597950 QZIVMSGVBSXNTH-UHFFFAOYSA-N 435.488 2.176 30 10 IEEE C=CCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749606103 IXKHZWQIZXQSPP-KLHDSHLOSA-N 439.582 2.104 30 10 IEEE CC(C)CSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1750871128 RCFNMXWQDKDERT-QGZVFWFLSA-N 449.602 2.467 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC=CCO1 1760100670 CXFVMRPRFKOTSJ-RDJZCZTQSA-N 428.562 2.350 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H](C)C1 1760101756 AQNNWAMRNAFPIE-BZSNNMDCSA-N 445.589 2.468 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1C[C@H](F)C1 1760247943 VXLJSPUCZQKYTM-QAQDUYKDSA-N 438.507 2.416 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCCCCC2=O)CC1 1760265363 ZAKNHSHNUBTFMM-UHFFFAOYSA-N 442.608 2.334 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC2)CC1 1760352830 ZBTOKKXYQSHSQJ-UHFFFAOYSA-N 425.537 2.193 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760376097 DVNPIVZTDNIVLV-MLGOLLRUSA-N 426.851 2.260 30 10 IEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760455031 GJFNFOANLBKVNM-XUZZJYLKSA-N 441.576 2.167 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Cn2cccn2)C1 1760533044 APAVSDWZGABHPI-NRFANRHFSA-N 449.559 2.491 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccc(F)cc2)C1 1760533855 NPBTZRRDMORZIG-CVDCTZTESA-N 443.523 2.342 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1760545610 XOZUNBGMLOYXOS-QGZVFWFLSA-N 441.536 2.383 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1cnnn1C 1769979457 WLUFVCJOFFUUDE-KRWDZBQOSA-N 448.531 2.344 30 10 IEEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770607001 QKFXYUYNDVSPMB-IBGZPJMESA-N 439.589 2.176 30 10 IEEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1771478948 GFFOPRHPTBAVEC-UHFFFAOYSA-N 448.618 2.430 30 10 IEEE CCN1CCC[C@H]1CN(Cc1cn(Cc2ccccc2)nn1)C(=O)c1cnc(C#N)nc1 1853484362 OFYHFQQUSRVSTA-NRFANRHFSA-N 430.516 2.115 30 10 IEEE C=CCN1C(=O)C(NC2CCC3(CC2)OCCO3)=C(c2cc(OC)ccc2OC)C1=O 1863717236 DMPACOUQILFJEP-UHFFFAOYSA-N 428.485 2.245 30 10 IEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)/C=C/c1ccc(OC)c(OC)c1 1873710745 SJUSIEXMMMLYDI-SOFGYWHQSA-N 443.525 2.498 30 10 IEEE COc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)NC1CCCCC1 1874434146 PXJKLUREZQQHAD-FSJBWODESA-N 444.561 2.346 30 10 IEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 1892087270 OQZDTFGWPYPFRD-QGZVFWFLSA-N 448.479 2.072 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(O)[C@H](N)C#Cc1ccccc1Br 2227479106 YAEWRPUPKWCNHC-GPMSIDNRSA-N 425.323 2.173 30 10 IEEE C=C(CS(=O)(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243416757 MPWZUVIWTOMSOP-SHTZXODSSA-N 430.376 2.397 30 10 IEEE C=C(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2246849988 IUEBCNTUXITUPH-VXGBXAGGSA-N 438.252 2.107 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(I)cn2)C1 2247557894 KOAWYEAOULVJSL-UHFFFAOYSA-N 442.257 2.326 30 10 IEEE CC1(C)OB(c2csnc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247905570 IWSVGKBFPNOWTL-AOMKIAJQSA-N 425.363 2.447 30 10 IEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603150 BHQUFKRJFVJSAT-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE Cn1nc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255834096 DNYDLSAEJJFFEW-SFHVURJKSA-N 425.338 2.398 30 10 IEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2256926544 BGKXGPLXWBGGSB-KBXCAEBGSA-N 428.294 2.102 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CNC(=O)OC(C)(C)C)C1 2267153527 CFLUUQJWYAKXNY-UHFFFAOYSA-N 448.373 2.061 30 10 IEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267181581 UKVHHMKZVBNCIV-CABCVRRESA-N 448.373 2.095 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1 2267227918 WOIGCBIUHUHONP-QZTJIDSGSA-N 446.353 2.316 30 10 IEEE Cn1ncc(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267515866 VCFCMYSVQGLGFK-SHTZXODSSA-N 448.373 2.143 30 10 IEEE Cc1cc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267603970 JPHKSBCQIAKPKL-QHCPKHFHSA-N 448.369 2.300 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267870213 BKUYYWSOQZCYDK-OAHLLOKOSA-N 446.357 2.295 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2269710856 GTLRLLDOBIYCKS-WNSKOXEYSA-N 443.353 2.428 30 10 IEEE C#Cc1cccc(N(CC)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286033716 WXQURHKRNXKBFA-LJQANCHMSA-N 430.482 2.204 30 10 IEEE CN(C[C@@H](O)CN(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)C(=O)OC(C)(C)C 2322308532 GFZLUJZKTCOJGG-AWEZNQCLSA-N 439.337 2.184 30 10 IEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651529 PBCCPQLYPGYPEM-YJBOKZPZSA-N 448.369 2.185 30 10 IEEE CC(C)(C)OC(=O)N1CC(C(=O)C#Cc2cccc(Br)c2)(S(C)(=O)=O)C1 2351760155 XMMIDYLZYJUAGF-UHFFFAOYSA-N 442.331 2.404 30 10 IEEE COc1cccc(CNC(=O)c2cccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)c1 9860345 XJWSNGCOSLLNPD-QZTJIDSGSA-N 431.539 2.115 30 10 IEEE COc1cc(/C=N/Nc2nc(SCC(=O)NC3CCCC3)n[nH]2)c([N+](=O)[O-])cc1O 59040073 ODWJQSYXEZSGIY-QGMBQPNBSA-N 435.466 2.024 30 10 IEEE COc1cccc([C@@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 102691930 RUVGDQJNKFUXAI-GOBJLOIFSA-N 426.469 2.351 30 10 IEEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460373434 HDSYCMFULGMRJT-UHFFFAOYSA-N 434.522 2.195 30 10 IEEE Cc1cc2c(cc1C)O[C@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2 463344696 JUQDSJLGDGMVKR-FQEVSTJZSA-N 425.510 2.012 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 468596587 BUMSXLBFNYTLBG-SJLPKXTDSA-N 440.500 2.344 30 10 IEEE C=CCc1cc(CNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc(OC)c1OC 477011064 KYEBUWMYHHKDRA-UHFFFAOYSA-N 437.539 2.241 30 10 IEEE N#Cc1ccc(OC2CCC(NS(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)nc1 501469981 PWIFSVHMAJXUDM-UHFFFAOYSA-N 440.525 2.087 30 10 IEEE Cc1cc(S(=O)(=O)NCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(C)s1 503626669 JAMRAQVTENDNBN-SFHVURJKSA-N 429.564 2.021 30 10 IEEE Cc1c(NC(=O)N2CCN(c3ncccc3C#N)CC2)cccc1C(=O)N1CCOCC1 507785363 RSXZQIQPQJWLIC-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 513785413 LWSQARZASXQQES-UHFFFAOYSA-N 431.945 2.372 30 10 IEEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccccc1 522116487 XLBJGWKXIWPSPN-UHFFFAOYSA-N 447.585 2.037 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 523651972 DMYRVJBCNZLIPJ-AWEZNQCLSA-N 430.476 2.239 30 10 IEEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 531587489 YAGRGZUWLAVUDG-MRXNPFEDSA-N 439.482 2.270 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCCCC3)CC2)n1 546876532 QOCWFTCAEDGMJU-UHFFFAOYSA-N 445.570 2.152 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)NCC)CC1 549668280 STTVIIVIRNJNEY-UHFFFAOYSA-N 437.592 2.065 30 10 IEEE Cc1csc([C@@H](C)NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 553071458 OLVLTWLRADDXNH-CYBMUJFWSA-N 440.485 2.097 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2)cc1 554309849 HIGBGDPCQSZOST-GOSISDBHSA-N 426.439 2.374 30 10 IEEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1 609152904 HDSATEXZCZTFCQ-CQSZACIVSA-N 433.472 2.376 30 10 IEEE CCc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)s1 609995188 LSOLWKFMLIIEHB-UHFFFAOYSA-N 446.598 2.460 30 10 IEEE Cn1ccnc(N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)c1=O 610415796 OHRONJOSUFIMTR-UHFFFAOYSA-N 431.456 2.193 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](O)CC(F)(F)C2)cc1[N+](=O)[O-] 615889911 JMZVSQVKZIBQEF-CYBMUJFWSA-N 435.387 2.223 30 10 IEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669805098 CKOLPLUSFGAVMD-KNQAVFIVSA-N 438.576 2.340 30 10 IEEE C#CCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 729334986 FYYAYNXRBVXGFE-NVXWUHKLSA-N 442.497 2.425 30 10 IEEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cccc(-n2cncn2)c1 734618141 NVDWDYYNYZSVDL-UHFFFAOYSA-N 436.472 2.389 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](OC)C(C)C)c1 744431171 FKFRXDHZVCZYLG-WOJBJXKFSA-N 444.601 2.338 30 10 IEEE C[C@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1ccccc1C#N 752609930 NCOKMWBSGBEHMI-CABCVRRESA-N 429.498 2.482 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)/C=C\c1ccncn1)CCCC2 754919327 FPQYMDWFKZOACN-ZPUOCTKUSA-N 435.484 2.403 30 10 IEEE C[C@@]1(C(=O)NCC#CC(=O)O)COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757470112 AOWDMSAMASMCJQ-PXDATVDWSA-N 448.475 2.134 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1 764930712 PHFTXQJKVOCHMQ-PLRJNAJWSA-N 443.529 2.043 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccnc2)cc1 764946622 MWSGKJKISIVZLB-NCELDCMTSA-N 443.529 2.043 30 10 IEEE CS(=O)(=O)c1csc(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 767429569 BOQKZTQECLABRA-UHFFFAOYSA-N 438.430 2.161 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CCO3)cc1 783381517 HHIHWSLCLDGEIR-CLCOLTQESA-N 442.497 2.012 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 783547756 RFBHXVVJUPMWJI-UHFFFAOYSA-N 439.335 2.238 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)n1 789029485 ILFLKGVLKKEGLI-LJQANCHMSA-N 425.533 2.352 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 800775835 UETMCFHEDMCEKX-UHFFFAOYSA-N 426.521 2.195 30 10 IEEE COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802520643 BGEXPVCLAKJXBK-UHFFFAOYSA-N 449.515 2.105 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cnn(C)n2)cn1 807935688 HDPVJOPEELBDEG-QGZVFWFLSA-N 438.517 2.192 30 10 IEEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2F)c1=O 838176905 HRHAUBSAAMZTDG-UHFFFAOYSA-N 438.480 2.090 30 10 IEEE CCN1CCN(CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C(=O)C1=O 917032982 YYJALRSAKNBZHS-OQLYILNASA-N 440.569 2.478 30 10 IEEE C#CCN(C(=O)Nc1cc(Br)ccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1116473206 IFDZQDVJSNIRFL-AWEZNQCLSA-N 437.319 2.289 30 10 IEEE COc1cc([C@H](C#N)NC(=O)CCc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 1127848847 UKCOBYUFZQJHMA-KRWDZBQOSA-N 432.498 2.430 30 10 IEEE CC(C)(C)OC(=O)N1CCc2c(C(=O)N(CCC#N)CCN3CCOCC3)ccnc21 1136457967 MAGBJPJWBATOGV-UHFFFAOYSA-N 429.521 2.067 30 10 IEEE CCS(=O)(=O)C1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1170290212 HFDMRDZETQCEBH-UHFFFAOYSA-N 432.521 2.221 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 1175992573 QZNSOLWNMFMBSE-JBPLPALLSA-N 426.561 2.453 30 10 IEEE C=CCOc1ccc(CC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1180001251 YXSVABHFEHWFQK-QGZVFWFLSA-N 429.517 2.130 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 1213176400 RXADXDIJWNABCW-IAGOWNOFSA-N 441.525 2.228 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1224762167 KWYFCDSCFWBFSZ-HXUWFJFHSA-N 427.526 2.284 30 10 IEEE COC(=O)c1cccc2c1OCCN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1226111386 ILMKMUUJHQQHGF-HXUWFJFHSA-N 448.479 2.444 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCC(n3nncc3I)CC2)CC1 1248407689 WTINULHVLYIVBF-JOCQHMNTSA-N 427.290 2.421 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](CN2CCOCC2)C1 1286358619 YOQIWMRRFSZDCP-HXUWFJFHSA-N 439.560 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1286419766 FBQUQBUSLVSZTR-OAHLLOKOSA-N 449.964 2.062 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1286466414 GNSZUGPIFOOLFL-JXFKEZNVSA-N 438.450 2.318 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1286505234 WMQIKVZPJSUXLC-GOSISDBHSA-N 425.558 2.084 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286611068 DSQZRRWXNMNRGR-IBGZPJMESA-N 434.585 2.349 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C(=O)NCC)CC1 1286640549 KWSKREVPOAYSHT-UHFFFAOYSA-N 435.536 2.240 30 10 IEEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1286953054 DEYZVEJJHSQLQM-OAQYLSRUSA-N 431.500 2.316 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1291497312 VYXVAHIDBFJCOY-DYVFJYSZSA-N 425.493 2.071 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1292132932 FKJQAZCXUICJQY-INIZCTEOSA-N 448.474 2.282 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cc1 1296037165 UTYOUELRRVCLSX-WCIBSUBMSA-N 431.489 2.128 30 10 IEEE CC(C)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H](C)C1=O 1296754164 QYBHRKLZLISOSJ-AWEZNQCLSA-N 433.350 2.472 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1CCOCC1 1297287831 LILROIVHTOQDCS-UHFFFAOYSA-N 425.537 2.225 30 10 IEEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1297550441 MCLQKGSVJQMDGX-MRXNPFEDSA-N 444.561 2.090 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1300282303 HCBHDPXQWULJGS-IAGOWNOFSA-N 438.557 2.266 30 10 IEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCC)[C@H]1CCS(=O)(=O)C1 1300494172 ZLANBUCZBHOVIP-HNNXBMFYSA-N 440.529 2.021 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300499573 VEFOSCZVFJSTEO-XMSQKQJNSA-N 448.564 2.186 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCC 1300561356 OLBKEVLOHGKWBL-JOCHJYFZSA-N 428.558 2.363 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1300602950 VWDCCBZINMYQAM-CQSZACIVSA-N 441.504 2.306 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2C1 1300732737 NYKZYVSIMYGNBU-UHFFFAOYSA-N 443.573 2.363 30 10 IEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCC(O)(C(F)(F)F)CC1 1300741416 WFUUEPVFESYXRA-CQSZACIVSA-N 436.500 2.262 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1300829818 BCLZZIQBUORDEV-JYJNAYRXSA-N 445.358 2.295 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300972487 LOTZSSGUVHZJEN-UHFFFAOYSA-N 436.557 2.066 30 10 IEEE COC[C@@H](F)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301066267 AIIPFJCTVNGREC-HNNXBMFYSA-N 443.508 2.153 30 10 IEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@H](C)O1 1301370903 BLUAYEWIFGRRTN-LPHOPBHVSA-N 431.562 2.172 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301579262 FAPDNKZCYSURIV-LJQANCHMSA-N 426.521 2.260 30 10 IEEE CC(C)(O)Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1302363531 GIPJVUBEISVHFG-UHFFFAOYSA-N 432.532 2.090 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc(Cc4cccnc4)n3CCCCCO)CC2)c1 1302999738 CXSLPTQTKZZYBI-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE C=CCn1c(SCC(=O)N2CC(N[C@@H]3CCOC3)C2)nnc1-c1ccc(Cl)cc1 1304079608 QGTCQITWGRCCSF-MRXNPFEDSA-N 433.965 2.466 30 10 IEEE CNC(=O)c1ccc(CS(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 1309448538 HCOWTBSRYAZYQE-UHFFFAOYSA-N 432.933 2.223 30 10 IEEE COCC(=O)N1CCc2cc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)ccc21 1310596078 HERJGHRZGCRVII-UHFFFAOYSA-N 434.500 2.279 30 10 IEEE COC[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1315787980 YBBJEHXDYHBXPL-SFHVURJKSA-N 432.532 2.140 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1315966956 ISECSTAUESPHOG-RFWXGWTQSA-N 435.532 2.210 30 10 IEEE COc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc(OC)c1Br 1351735062 FFKOPGQZSLYYCO-UHFFFAOYSA-N 436.266 2.150 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1358976657 MLFDOXZVYTXGRK-BVZFJXPGSA-N 444.539 2.299 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCC(=O)N(C)C)CC1 1359038905 PQCBHFMXHCLNKB-UHFFFAOYSA-N 438.576 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](C)OC)CC1 1359047140 SMLZUXUGGKLZDG-SFHVURJKSA-N 434.544 2.282 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359054215 NJACDOUTRGOAGM-MRXNPFEDSA-N 446.577 2.370 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1359063924 HHGNQIUWPRSBQF-DJPFJPOOSA-N 431.562 2.268 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1359158074 DRCNFABPFQEGQF-ROUUACIJSA-N 443.939 2.348 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnnn1C 1359270272 JHQFDZWKIDQWIB-UHFFFAOYSA-N 431.504 2.030 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359461543 AKOCOFZERNMTPQ-LEWJYISDSA-N 438.532 2.403 30 10 IEEE Cc1[nH]nc(I)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1443888662 DIIPKHKQZUVXHW-AWEZNQCLSA-N 435.269 2.173 30 10 IEEE C=CC1(CC(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)CN(C(=O)OC(C)(C)C)C1 1445683276 FGYTXAPMCLZWMN-KRWDZBQOSA-N 434.533 2.481 30 10 IEEE C=CC[C@@H](CO)CNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1466522601 RLKBECZYDWPZFQ-OLZOCXBDSA-N 429.468 2.312 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](Cn3ccnn3)C2)n(-c2cccc(F)c2)c1C 1473660778 TZXGOHCWYBLIIS-LJQANCHMSA-N 437.479 2.036 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)c(C#N)c2N)cc1 1478777383 XFPGERUBRYIJOA-YLJYHZDGSA-N 435.532 2.020 30 10 IEEE C[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1494014970 CZGSFGAQAJYRQB-NFFVOIMASA-N 436.516 2.272 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1502444091 INYKKVFTNUSPEB-UHFFFAOYSA-N 433.463 2.298 30 10 IEEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)CC1 1503399528 SQHCJJGXSPYGMC-QFIPXVFZSA-N 437.592 2.315 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1505043291 HUSGBCNRWSDJPK-JPYJTQIMSA-N 441.532 2.254 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1C 1507533090 PGYGVRBWJOWQLG-HNNXBMFYSA-N 428.541 2.027 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507622781 LUUZDELVFWNPRJ-QGZVFWFLSA-N 446.573 2.268 30 10 IEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1507628376 NYCNMQRXQKKNNS-QGZVFWFLSA-N 428.514 2.355 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1cccc(OC)c1 1507712135 CRQWRZIEYPUHGP-IBGZPJMESA-N 425.533 2.302 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507724048 FARXEIPVCBAHDD-UHFFFAOYSA-N 430.556 2.295 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507784985 NRFXJFASCDQSHN-DZGCQCFKSA-N 439.358 2.121 30 10 IEEE C=C(Br)Cn1c(N(C)CCNC(=O)C(C)C)nnc1[C@@]1(OCC)CCOC1 1507791898 BNUBUZVDQKGEAL-GOSISDBHSA-N 444.374 2.047 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C(C)C)C(C)C)CC1 1507896138 HLTWONUGUDYHCH-QGZVFWFLSA-N 426.631 2.410 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1507918700 HSVFREKCSQUHTJ-HZPDHXFCSA-N 425.599 2.261 30 10 IEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCNC2=O)CC1 1507951202 CQVWDBGTGNKECI-UHFFFAOYSA-N 443.577 2.230 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1508076058 ZMTWYTAONAXFPC-HNNXBMFYSA-N 446.914 2.241 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)[C@@H]1C 1508094454 YAGZEKOHPUXJLE-YJBOKZPZSA-N 427.505 2.097 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1508144204 COZMOHRPYZJERT-UHFFFAOYSA-N 436.553 2.154 30 10 IEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1508155859 RUOMPHRWKTZIDQ-SFHVURJKSA-N 429.594 2.203 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1508433836 QHBSDLWVULMFBC-BDXSIMOUSA-N 448.568 2.450 30 10 IEEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(C(N)=O)c2)cs1 1511530271 NTCVIVJOEXAYBO-HXUWFJFHSA-N 425.493 2.223 30 10 IEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1(C)C 1512284969 HPQZZRDTFALVBB-ZHRRBRCNSA-N 443.573 2.239 30 10 IEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1515442949 FRKLLNFLDMSPSD-KRWDZBQOSA-N 441.513 2.383 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(SC)CCN(C)CC2)CCOC1 1516129032 GPUWRCRPXYMTLF-UWJYYQICSA-N 436.626 2.496 30 10 IEEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1F 1532961699 ADVODXQCUHTCKG-CYBMUJFWSA-N 449.460 2.210 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 1534662395 HEFFDJXIKAVHEO-KBPBESRZSA-N 434.459 2.491 30 10 IEEE Cc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)cc1C#N 1537727356 NRGSZQRFMIYCJS-UHFFFAOYSA-N 444.236 2.377 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(F)(F)F)C1 1539132969 SPSUOBHJWOQAAV-AWEZNQCLSA-N 427.452 2.451 30 10 IEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539736190 ZATOZKPDZMKUGI-AWEZNQCLSA-N 427.958 2.456 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1[C@]1(OCC)CCOC1 1540875999 FATQIDXRARPTLU-XXBNENTESA-N 441.532 2.280 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1540893754 JROXDHHMALDBCP-IRXDYDNUSA-N 430.578 2.330 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CC1 1540964268 CYELAMKNIWLQKW-UHFFFAOYSA-N 432.532 2.274 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1541105630 KWLQUNKUMBQCKD-GFCCVEGCSA-N 444.341 2.228 30 10 IEEE C=CC1(CC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1542123570 KXDJUOVCMOWZKJ-MRXNPFEDSA-N 429.583 2.120 30 10 IEEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1545574241 HLOXPYUTCGATSF-JYJNAYRXSA-N 430.475 2.174 30 10 IEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSCC)C1 1547779058 CLEGNBUQAICANM-SFHVURJKSA-N 448.618 2.478 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@]1(C)CN(C)C1=O 1548134846 ZICDZSOKHHTARO-QHCPKHFHSA-N 438.532 2.212 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CC(CNC(=O)C(F)(F)F)C2)nnc1-c1ccco1 1558063929 MHBKUHQXJXQALL-UHFFFAOYSA-N 443.451 2.343 30 10 IEEE C=CCn1c(SCC(=O)Nc2cn(C)nc2C(N)=O)nnc1-c1ccc(Cl)cc1 1583793862 WQSDCRINROVSQB-UHFFFAOYSA-N 431.909 2.348 30 10 IEEE C#CCCCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587793928 XTAJKHUDYFBUKL-URXFXBBRSA-N 445.608 2.423 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)c1ccsc1 1588259163 SRVSBNGBJBCJAS-LQBOVUBWSA-N 428.558 2.434 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1595530045 QPGCYAUYEHOFSG-FQEVSTJZSA-N 433.516 2.178 30 10 IEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595890461 VJXVGCZKOIAJHZ-FQEVSTJZSA-N 428.606 2.484 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)Nc4nncs4)CC3)n[nH]2)c1C 1596591353 LEUZZOXBWWCEPD-UHFFFAOYSA-N 440.533 2.418 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1611815783 NXMPACKYJUFJMX-OPAMFIHVSA-N 439.520 2.081 30 10 IEEE Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1612632289 IFXJMEKHPDWXTE-CQSZACIVSA-N 443.533 2.050 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 1616734919 LHCKBAUIGYGCKC-HNNXBMFYSA-N 426.560 2.095 30 10 IEEE CCOC[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1617008221 SKRZCPDVPFUZSM-SGRLSNSRSA-N 430.553 2.256 30 10 IEEE CNC(=O)c1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)c1 1618607149 HRMXREPEEBKRPF-UHFFFAOYSA-N 437.548 2.149 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCN2C 1619910214 ZZZYOJBOBWXLHW-UHFFFAOYSA-N 439.564 2.213 30 10 IEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)C1=O 1622074466 HFYDARQZNKZORI-IAGOWNOFSA-N 427.364 2.355 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)cc1 1625218574 HVWSYPUBWIFPAB-JUGSVMCGSA-N 436.578 2.063 30 10 IEEE CN1CCCC[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1627459169 RTJXJFFVUBWPAJ-MSOLQXFVSA-N 433.350 2.416 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3ccccc3C#N)CC2)C1 1627569756 WINPYKMXULHIRK-WZONZLPQSA-N 426.517 2.090 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc([C@H]4CCCO4)n[nH]3)C2)C1 1627747267 SKSFPVVHZRSSKA-DMTCDCDWSA-N 430.509 2.059 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](c4ccccc4)[C@H](CO)C3)C2=O)cc1 1629162718 RIQBGGAXNFIZQA-NNWRFLSQSA-N 446.507 2.388 30 10 IEEE C#CCC1(NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCOCC1 1633298282 OETPVQPXVIPMMI-UHFFFAOYSA-N 434.436 2.231 30 10 IEEE CCOC(=O)[C@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCCOC1 1633781850 DXJZQXKKVKXFIW-IEBWSBKVSA-N 431.338 2.382 30 10 IEEE CCN1C(=O)c2ccc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)cc2S1(=O)=O 1634239984 AWIVRQLCXKMROJ-UHFFFAOYSA-N 438.509 2.439 30 10 IEEE CCOc1ccccc1[C@@H](CC)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1641148125 BFFSHUWXXAUJLH-OAQYLSRUSA-N 438.528 2.218 30 10 IEEE O=C(c1ccc(=O)n(-c2cccc(F)c2)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040501 GHKIVCZAGJVSGV-UHFFFAOYSA-N 435.411 2.494 30 10 IEEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 1652926124 QJYLZHGUZBXBAI-UHFFFAOYSA-N 433.313 2.136 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(Cl)c3cccnc23)c1=O 1652998329 OEDYBZCGNCBIID-UHFFFAOYSA-N 426.860 2.473 30 10 IEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(Cl)cc21 1653732253 XJBXZVRFLSVWKB-UHFFFAOYSA-N 445.932 2.027 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1Br 1655516379 FFZKZQGOFFZLAS-GOEBONIOSA-N 447.326 2.448 30 10 IEEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC1(c3ccc(C#N)cc3)CCC1)CCS2(=O)=O 1685669732 TVJMXQJBWCQRLV-JGCRXCKMSA-N 445.541 2.136 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1689834963 COKNJBBALLUBHK-SJLPKXTDSA-N 432.546 2.002 30 10 IEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1689930570 VCBKFQXQOGHUME-SJORKVTESA-N 449.602 2.427 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1cccs1 1689963897 AHNQMICXQVKXHU-QFIPXVFZSA-N 437.573 2.491 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccnc1N1CCOCC1 1690050079 RIJABFJKYOHFOD-UHFFFAOYSA-N 441.539 2.007 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1690058874 CTYMCDRQRYLHCL-MRXNPFEDSA-N 435.525 2.052 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCC(=O)N1CCOCC1 1690083536 ITXLLAWKLCWQRR-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)NC(C)C)CC1 1690382319 JXNOSHOJGIBUKH-UHFFFAOYSA-N 437.541 2.480 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690507243 HXTCRVNVJBQHMB-KRWDZBQOSA-N 445.955 2.197 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NCCC)C1 1690692105 RDSQRWPTVNHBIE-GOSISDBHSA-N 441.532 2.414 30 10 IEEE CC(C)CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692383757 NFPWQYFBFBRKGM-FQEVSTJZSA-N 443.596 2.143 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1692580077 CFDXSABOPHKJMZ-YADHBBJMSA-N 448.543 2.067 30 10 IEEE C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1692712552 CQKDSAVCAJDULW-DLBZAZTESA-N 425.585 2.194 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1(C)C 1697676248 GSJTVBCLPPPPDY-GOSISDBHSA-N 446.577 2.006 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nnc(C)s2)C[C@H]1OC 1698289891 OVSXZSVLRREDKL-HDICACEKSA-N 439.545 2.460 30 10 IEEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCC1 1698319222 ASQYOOJNHDPGRL-HKBQPEDESA-N 441.561 2.357 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1705478522 CUSUNPFVVLKDTM-KSFYIVLOSA-N 426.521 2.316 30 10 IEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705517952 DDPWRQMKYOTPCU-UHFFFAOYSA-N 435.507 2.398 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705527068 VGUHOLGWQNPLTL-YJBOKZPZSA-N 442.472 2.498 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705565150 SPWXQRAHGRUTJB-CQSZACIVSA-N 443.495 2.499 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](OCCOC)C1 1705706356 SRYVIWRZFZLSJC-ONTIZHBOSA-N 444.580 2.363 30 10 IEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1705844130 WNFXAYHUQQWRLR-KKSFZXQISA-N 437.541 2.014 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705890699 CQTNFEATLPUCHS-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1705910988 UYKCAQUOUCQXFE-IBGZPJMESA-N 434.562 2.441 30 10 IEEE CC1(C)COCCN1CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1706957062 FEBQYNNLXKJEGM-INIZCTEOSA-N 430.940 2.438 30 10 IEEE COc1ccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1711886949 FPHYCXUCIDITPE-JOCHJYFZSA-N 442.495 2.434 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1712875578 FRVOLPYZZVXVPT-AVRDEDQJSA-N 442.495 2.487 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CC(F)(F)CO2)c1 1722309445 NOZRZBWTWFILCF-FUHWJXTLSA-N 445.470 2.262 30 10 IEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722334524 GXSMJQDYFOZJHD-UHFFFAOYSA-N 429.590 2.499 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CCOC)C(=O)C1 1722337495 BSVACQCASOLUGR-UHFFFAOYSA-N 425.533 2.182 30 10 IEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](c1ccccc1)N1CCOCC1 1722341514 HWDKKPVQYJHKOM-NRFANRHFSA-N 438.576 2.339 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1722341642 LDRLULRYYAWIHT-MRXNPFEDSA-N 441.536 2.498 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1722370806 QPOAYRVWXCADQX-ZDUSSCGKSA-N 428.967 2.205 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ncccc2N(C)C)CC1 1722433768 CYWMMIXMCBKFTI-UHFFFAOYSA-N 436.951 2.258 30 10 IEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722465394 LCLDJIRDPPADII-GOSISDBHSA-N 448.614 2.464 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(C)=O)c2)CC1 1722559964 NBRNEPUQXIVIHT-OAHLLOKOSA-N 432.550 2.051 30 10 IEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCc1ccccc1 1722698253 XNISBCWCZVGKEO-UHFFFAOYSA-N 436.516 2.377 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCO[C@@H](C)C2)C1 1722717362 ADSAWTKVMDELHW-INDMIFKZSA-N 438.594 2.167 30 10 IEEE C[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)COCCO1 1724014304 AMZDFXGPAFHTPQ-SFTDATJTSA-N 444.561 2.205 30 10 IEEE CCOCCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1729172766 AVOUSVMJFOOSDE-UHFFFAOYSA-N 441.561 2.305 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H](C)OCCOC)nnc2N2CCC(C#N)CC2)c1 1729650281 FRMUATVKSPIXKT-KRWDZBQOSA-N 440.548 2.344 30 10 IEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1730730863 CZWBENVMLKJNCH-QGZVFWFLSA-N 438.454 2.162 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1740540177 UBXDATGQBWYXHE-OAHLLOKOSA-N 438.513 2.166 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N1CCOCC1 1740545080 NQLWTKAUSHIFRM-FUHWJXTLSA-N 425.562 2.272 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(C)(=O)=O)cc1 1740612325 NPJFZJTTYBVKOP-UHFFFAOYSA-N 448.552 2.232 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCc1nnc(C)s1 1740641621 DJCUDVAHLNZVPI-UHFFFAOYSA-N 430.541 2.382 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CN(CC(C)C)CCO1 1740642611 SOPYMHFPWUXCCA-HXUWFJFHSA-N 426.590 2.063 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1740687068 ZWWNTZONLWAKKP-OAQYLSRUSA-N 445.608 2.151 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740715685 LUUXUZICPDEASR-INIZCTEOSA-N 427.578 2.233 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1740890864 KTFUXGNIBAPYPF-CVEARBPZSA-N 438.623 2.409 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnccc2OC)C1 1740972590 KDDFEJGMOWKVNT-XMSQKQJNSA-N 429.521 2.163 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(C(N)=O)c2)CCOC1 1741124264 DTBADNKYDFVZMX-ZHRRBRCNSA-N 426.521 2.062 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1741710469 FAVZUABHHVFVGR-IBGZPJMESA-N 446.577 2.006 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1747538038 CKUXELQACLUUJL-LJQANCHMSA-N 440.548 2.458 30 10 IEEE CN(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1747550384 SGNIDVGQORIYEP-QZTJIDSGSA-N 437.460 2.478 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1748303597 JZQHAXBQYTYACW-PGRDOPGGSA-N 425.489 2.012 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1748686182 KGTJNBYXHIDXDJ-ANZZGNCFSA-N 448.527 2.404 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1748810456 WMEIKMBTOOKJSG-SFHVURJKSA-N 430.574 2.431 30 10 IEEE COc1cccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1748965104 HLZZPWRKLRNXFK-HLIPFELVSA-N 427.505 2.377 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(OC)c2)CC1 1748993817 NINPHFWMAOITBE-UHFFFAOYSA-N 432.528 2.085 30 10 IEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749743694 AEMDNXHJCYEOIM-CALCHBBNSA-N 449.964 2.342 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1751092913 GACWCSBYEXOJCQ-GOEBONIOSA-N 425.459 2.285 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1760112430 GSIXOPGEVWAWAO-WMZOPIPTSA-N 444.580 2.377 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760181645 YZVKJKOVIDPDHC-ICSRJNTNSA-N 446.573 2.396 30 10 IEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1760251634 FDIDGTSIYIRPKT-LJQANCHMSA-N 442.633 2.466 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2Cc2ccn(C)n2)n1 1760253047 VCSMHZPKLYFYTJ-UHFFFAOYSA-N 430.516 2.210 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2cccn2)CC1 1760255263 WYTMNCLLKQEOHP-UHFFFAOYSA-N 435.532 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccccc2)CC1 1760269201 BJFHSXHMGYMOTA-ICSRJNTNSA-N 437.544 2.215 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760515498 VTFFKNOPFNJVRF-JOCHJYFZSA-N 434.585 2.140 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1760521422 SFKGZQVLPRCYLL-OAHLLOKOSA-N 436.438 2.187 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1760522905 GGBFXVVEIPYFCY-NRFANRHFSA-N 432.528 2.480 30 10 IEEE C=CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760568688 PLIUVPUFXVOTDD-UWJYYQICSA-N 435.594 2.049 30 10 IEEE CC(C)c1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)n1 1760688139 BLPNKXUEDHBCKA-CHWSQXEVSA-N 425.584 2.112 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCOC(F)F 1763227104 ZLCJJWLOWNWXTF-INIZCTEOSA-N 434.447 2.073 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763736510 DYHSHKMRDAPHEQ-OSCRUYLVSA-N 429.569 2.239 30 10 IEEE CCn1cccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)c1=O 1765344989 JIWPNEVIJANIQH-MRXNPFEDSA-N 440.454 2.106 30 10 IEEE CCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1765454472 DPFYNMISQIVUHO-IBGZPJMESA-N 430.578 2.172 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(F)c2F)CCOC1 1765921793 HPURVRJTJADYEC-IERDGZPVSA-N 433.459 2.180 30 10 IEEE CCOCc1nnc(N2CCCC[C@H](SCC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767904439 OGDDMQBVFIBMRF-QBNCKDSPSA-N 448.593 2.453 30 10 IEEE COc1ccc(OCc2nnc(N3CCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1770289183 AICKMEPXHFGMEJ-UHFFFAOYSA-N 436.472 2.047 30 10 IEEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1849210311 OPKHRSLPZZSUBD-UHFFFAOYSA-N 428.246 2.457 30 10 IEEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(CCC)no2)cn1)[C@@H]1CCN(C)C1=O 1850379621 MCLAZBGDJSSERF-QGZVFWFLSA-N 435.488 2.129 30 10 IEEE Cc1cccn2cc(CC(=O)O[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc12 1851209163 RPPYTJRNDQCVCD-QFIPXVFZSA-N 434.496 2.380 30 10 IEEE C=CCOC(=O)[C@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1I 1852857029 CJSBSSLPVDMKEZ-LSDHHAIUSA-N 428.270 2.272 30 10 IEEE N#Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)c1F 1853200262 NMTCQMBPBLXUJZ-UHFFFAOYSA-N 436.422 2.452 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)C4CC=CC4)C(=O)O3)CC2)cc1 1855846981 BHYISHOHYHULTE-IBGZPJMESA-N 429.498 2.273 30 10 IEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc1 1862631066 IFOPUZPNJCPKDZ-IBGZPJMESA-N 439.420 2.163 30 10 IEEE COc1cc(OC)c(OC)cc1/C=N/n1cnnc1SCC(=O)NCc1ccco1 1874537611 MECGBANXCQKSGB-LSFURLLWSA-N 431.474 2.188 30 10 IEEE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NCC#CC(=O)O)c1 2009914575 NWFVAVVPRMJZCB-UHFFFAOYSA-N 444.225 2.456 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 2010230596 BEGFCILWJQTGCZ-FQEVSTJZSA-N 429.561 2.436 30 10 IEEE O=C(N[C@@H](CS)C(=O)O)c1ccc(Br)cc1I 2026076231 FCWRXTSWMBOLQZ-QMMMGPOBSA-N 430.061 2.167 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C 2235731260 WQMJHRIGHNQGHI-KZNAEPCWSA-N 439.350 2.385 30 10 IEEE CN(CCN(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2243418381 BIEXZJDTDTVBSX-UHFFFAOYSA-N 442.325 2.050 30 10 IEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247862231 WQSTUNRAHREQCF-ZDUSSCGKSA-N 440.371 2.005 30 10 IEEE C=C(CS(=O)(=O)N(OCC)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247903889 KMYQBAYATFHWHA-UHFFFAOYSA-N 446.375 2.377 30 10 IEEE CC1(C)OB(C#CCCNC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)OC1(C)C 2250002292 JIDAZIKZVGMLRT-AWEZNQCLSA-N 430.154 2.127 30 10 IEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254636752 ZFGPLRXIJRXCKK-QGZVFWFLSA-N 433.358 2.311 30 10 IEEE CO[C@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1NC(=O)OC(C)(C)C 2254798745 CYAFBZOBKHPIPA-CABCVRRESA-N 437.321 2.248 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255613408 CDBDOOMYAKLTAZ-HUUCEWRRSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1CCOCC1 2256676833 QZUJYGYMUKPTFI-KRWDZBQOSA-N 436.358 2.305 30 10 IEEE Cc1nn(C)c(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267133352 AXSSIGTZUSHGQK-UHFFFAOYSA-N 448.373 2.155 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267280239 NWKFEGSJMLVIFR-MWTRTKDXSA-N 443.353 2.368 30 10 IEEE Cn1ncc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2267510249 IKIOLRIGPQTSKR-QFIPXVFZSA-N 448.373 2.143 30 10 IEEE Cc1c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267512364 FZKZSIXIHJGEPN-LJQANCHMSA-N 438.381 2.374 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)nn1 2268639394 OKZSIFJDXYEHBP-HOCLYGCPSA-N 447.345 2.217 30 10 IEEE CCCNC(=O)CSc1nnc(CC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2320974424 YGZNOAYIJZHGFM-UHFFFAOYSA-N 434.478 2.020 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)cc1 2328574568 AGSTUXXFJZWPIA-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1C(=O)O 2328726805 CPAXMAZKNFEQCG-UHFFFAOYSA-N 439.497 2.448 30 10 IEEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nnc(CC)s3)C2=O)cc1 96546712 QVNVHTBASLLSPY-FQEVSTJZSA-N 429.502 2.461 30 10 IEEE C[N+](C)(CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O)CC(N)=O 100091648 NKQOYDGTAIUCLY-COSOUPRKSA-O 432.544 2.287 30 10 IEEE COc1cc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 103091150 HYCZGOVZKMNNBH-VZCCSQPZSA-N 430.457 2.289 30 10 IEEE COc1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1OC 103125116 WEJCWXYUYOUUFG-LYHOESIGSA-N 433.482 2.196 30 10 IEEE COC(=O)c1c(C)oc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1C#N 170493331 DRVRFYHANDBRBI-UHFFFAOYSA-N 427.417 2.159 30 10 IEEE COc1ccc(CN2C(=NC(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254393699 RMAZZUUXNXXLIX-CZUORRHYSA-N 426.560 2.347 30 10 IEEE CC(=NOCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 254558308 MDXWKSHGKBZQCI-UHFFFAOYSA-N 444.557 2.026 30 10 IEEE C=CCCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 468399373 JUPDHDHAKNKRKA-OAHLLOKOSA-N 431.352 2.065 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCOCC2)c2ccccc21 481436043 NNFLVPIKNCAJAR-INIZCTEOSA-N 425.510 2.320 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 485039394 CJGGFKKJCMETTK-UHFFFAOYSA-N 441.406 2.334 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC 491834458 YRUZFIDBZHUBKP-UHFFFAOYSA-N 426.567 2.267 30 10 IEEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508848733 OKPJZFPWMFTJAK-KRWDZBQOSA-N 429.496 2.257 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2nccn(C)c2=O)CC1 508863335 JMIKIELDWQBFOK-UHFFFAOYSA-N 441.923 2.213 30 10 IEEE Cc1ccc(C)c([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@H](C)CO2)c1 519572708 NZHRHOIJLDPPGM-DYESRHJHSA-N 427.526 2.442 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cc(C(N)=O)c3ccccc32)cc1 522895243 XHINHASLSZHDOS-LJQANCHMSA-N 433.493 2.152 30 10 IEEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3cc(OC)cc(C)n3)c(=O)n2C2CC2)c1 537395939 MUVIUGMEHQYELE-UHFFFAOYSA-N 447.516 2.351 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 543037013 VBCNBBOGYJKIDJ-UHFFFAOYSA-N 436.438 2.343 30 10 IEEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(C(=O)O)cc2Br)cc1 545561366 SYAJRQFXYYHHAE-UHFFFAOYSA-N 425.260 2.376 30 10 IEEE COC(=O)COc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c2cccnc12 546927607 RDVYKPQIOZAPKD-UHFFFAOYSA-N 446.467 2.407 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](O)(C(F)(F)F)C1 549286245 YRAPSCAZJSKQIU-QGZVFWFLSA-N 430.452 2.428 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](OC(F)F)C3)nnc12 549599896 RCXHZXXCOFVBHC-LBPRGKRZSA-N 435.456 2.162 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CCN(S(=O)(=O)c4cccs4)C3)n2)c1 552592807 WKSCNOUUMFSBSK-MRXNPFEDSA-N 441.538 2.246 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 618786458 RLLDQVJXDCZWEE-IEBWSBKVSA-N 428.514 2.368 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cc1C 730138673 DOPYCMHNJNDGDD-MOPGFXCFSA-N 432.590 2.482 30 10 IEEE C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 734599401 IYIQHJOAUBEBDL-LLVKDONJSA-N 436.877 2.041 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)CC(=O)N2C)cc1 734921631 RAXISZGPBDPFAF-GPMSIDNRSA-N 427.482 2.399 30 10 IEEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2ccco2)C1=O 735224228 PTVZKWLJKQEAFA-GOSISDBHSA-N 444.513 2.208 30 10 IEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cc2)C1 742393818 DRRLJLKHPOEQRE-OAHLLOKOSA-N 448.570 2.238 30 10 IEEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccc(F)cc2)c1=O 743725258 LGAXLDPMOMVFFM-UHFFFAOYSA-N 442.541 2.078 30 10 IEEE CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C#N 748847830 QLQNXTZCCQPGLJ-UHFFFAOYSA-N 441.937 2.044 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1OC 749095272 NNKBEJHTSPBQDY-BXELEKSISA-N 429.469 2.225 30 10 IEEE CN(Cc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)OC(C)(C)C 749647962 VYZPGZGFASTVIU-GOSISDBHSA-N 441.532 2.191 30 10 IEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC3CCC(C#N)CC3)cc2)CC1 755973585 LPSBUFLNXCBUHF-UHFFFAOYSA-N 433.530 2.026 30 10 IEEE COc1cc(OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)ccc1C#N 767102737 LJZODVWMIHKBCJ-NTEUORMPSA-N 441.509 2.091 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)ccc2Br)n1 788695572 VEFSMLDFYCUSEX-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE CN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1ccnn1CCCOC 789970100 MFBFWAXBYBGGMU-UHFFFAOYSA-N 433.559 2.266 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)ccc1OC 790019311 PHMHIMPCZTXFOC-HNNXBMFYSA-N 439.534 2.415 30 10 IEEE COCC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 790141600 OZGAEQGLERUXBK-UHFFFAOYSA-N 434.474 2.078 30 10 IEEE C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 795329426 OWXONCNNTQCHKT-MJGOQNOKSA-N 443.569 2.497 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C[C@@H]21 804158831 CAYWQMXKRVKFDU-JENIJYKNSA-N 444.507 2.465 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1C[C@H]1CCCO1 812304611 QOFOJMHQGZJYFI-LJQANCHMSA-N 443.573 2.368 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 916777781 UBPVAZIZCYNZQX-SFHVURJKSA-N 429.473 2.196 30 10 IEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 1084010456 SGYFCEZWHKHUBT-UHFFFAOYSA-N 427.450 2.272 30 10 IEEE C[C@H]1Cc2cc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)ccc2N1S(C)(=O)=O 1134507675 WMMNJQRHVVTXDE-BTYIYWSLSA-N 425.510 2.483 30 10 IEEE C#CC[C@H](CO)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 1141592090 XTUQVTXRWPXPAV-QGZVFWFLSA-N 437.525 2.321 30 10 IEEE COC(=O)[C@@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCC(C)(C)C1 1147860279 RXURRTCJZRFPKN-OAQYLSRUSA-N 435.546 2.134 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)c1 1165674595 UWKMLEMVYDBPMH-UHFFFAOYSA-N 447.557 2.212 30 10 IEEE COc1ncc(NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)cc1C#N 1220041991 GZIWSDZXAITCNP-OAHLLOKOSA-N 430.262 2.429 30 10 IEEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1264411697 NSHQTLSXYGHQGD-UHFFFAOYSA-N 432.590 2.371 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)n1 1271204243 GMSRMIATDKXXFX-INIZCTEOSA-N 445.317 2.380 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1286395023 QFLMAHFRXALFBD-HNNXBMFYSA-N 435.619 2.464 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCCC2)CC1 1286475056 VYQQJKHRVPQPRC-UHFFFAOYSA-N 438.576 2.203 30 10 IEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)C1 1286496929 LCTBBOOTDZMRBX-UHFFFAOYSA-N 434.363 2.352 30 10 IEEE C=CCN(C)c1nnc(Cc2ccncc2)n1CCCN1CCN(c2ccncc2)CC1 1286728128 MSBMSGCXIIMIBD-UHFFFAOYSA-N 432.576 2.493 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCC(C)(F)F 1291194713 CGHABUJLTMHNNF-CABCVRRESA-N 432.479 2.204 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC(NC(N)=O)CC1 1294059909 SNOBPXCMKYVNGQ-SFHVURJKSA-N 427.505 2.052 30 10 IEEE CCn1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)cn1 1295923967 DHICDCDQFYZPKX-AWEZNQCLSA-N 431.298 2.029 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1300307392 FTPOGFRODPGBEF-FUHWJXTLSA-N 446.573 2.288 30 10 IEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1300495412 HBTIFBVFARVPEV-ZWKOTPCHSA-N 448.614 2.411 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300502309 RWVJQQQCNSBMEL-RTWAWAEBSA-N 447.649 2.225 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300522931 QLTBJYQAAWYAME-UHFFFAOYSA-N 446.511 2.183 30 10 IEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1300545707 VYSLIMAEQAKWTJ-IBGZPJMESA-N 440.498 2.054 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1300711602 DQZUEHXVEDAZOW-VAMGGRTRSA-N 444.624 2.257 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)=O)CC1 1300752230 XMGMPLRVZJPPDB-UHFFFAOYSA-N 427.530 2.145 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C 1300871440 BWTDYZYBLLFSAX-WBAXXEDZSA-N 437.566 2.407 30 10 IEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300964128 OVKSBNSXXWTQOQ-HXUWFJFHSA-N 449.515 2.071 30 10 IEEE CN(CCCC(=O)N1CCC(NC(=O)Cc2ccc(C#N)nc2)CC1)C(=O)OC(C)(C)C 1301494052 JPRHZAGJDDGXDS-UHFFFAOYSA-N 443.548 2.250 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301575800 KOHHMNRIMUHKEU-LPHOPBHVSA-N 434.562 2.416 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1301819361 UYYUHIUUAHWZIG-LEWJYISDSA-N 438.532 2.117 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1301884828 CWCWGFXMDOEWSE-NRFANRHFSA-N 449.559 2.481 30 10 IEEE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCO[C@](C)(C#N)C3)c(O)c2)c1 1304192958 KVQVUPKWGKEEAN-JOCHJYFZSA-N 425.441 2.416 30 10 IEEE C#CC1(NC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)CCCC1 1310051226 SOHAXONRMTXMFG-INIZCTEOSA-N 433.530 2.328 30 10 IEEE COc1ccccc1OC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1315647520 GYIHFAKALNGFAU-WMZOPIPTSA-N 437.504 2.131 30 10 IEEE COCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1316120876 ZREAVEHBRJJEEV-IPJJNNNSSA-N 443.552 2.023 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)C[C@@H]1C 1316125089 FSDSNIQCJMPJGQ-IBGZPJMESA-N 434.548 2.179 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1316192502 ZLSFPNJYVRWKDD-MCEIDBOGSA-N 433.553 2.470 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1358919270 YBZUZPIAGCMLTJ-UHFFFAOYSA-N 437.548 2.388 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCN(CC)CC1 1358940680 HIAFXPIYJKMWAN-UHFFFAOYSA-N 434.386 2.133 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358973344 OHHCFWAVOQYDTQ-GOSISDBHSA-N 431.949 2.095 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1359039779 VNTKRNQOJRVWGP-NJDAHSKKSA-N 428.625 2.292 30 10 IEEE C=C(C)Cn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1359124935 JJYHJCDWORXEMM-QFIPXVFZSA-N 429.496 2.499 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1359158322 NENGBTDARGYSND-OAQYLSRUSA-N 438.576 2.188 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359224582 WQXCNSGMTAXXKD-LJQANCHMSA-N 438.536 2.375 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1359265968 PVSNAXBVUZRXRY-FQEVSTJZSA-N 448.579 2.354 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1 1359274439 NHXVCSPQFHECKN-UHFFFAOYSA-N 427.549 2.193 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3cc(C)oc3C)CC2)nnc1C(C)(C)C 1359306114 WBMTZDMERVEDLC-UHFFFAOYSA-N 442.564 2.486 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 1359313907 SVSGOZLLTXIWEH-WBVHZDCISA-N 437.541 2.165 30 10 IEEE Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1 1361117226 CWEUXVCUDTXOEB-HSZRJFAPSA-N 437.548 2.285 30 10 IEEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnn(C)n2)cc1Br 1361175976 ZVCJWCYQXYVMGB-LLVKDONJSA-N 430.314 2.184 30 10 IEEE C#CCN1CCN(C(=O)CN2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)CC1 1459881486 KQJZOVWPXDZUIQ-LJQANCHMSA-N 426.561 2.410 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 1467855705 QHKOUWIITFMWQG-BZSNNMDCSA-N 437.537 2.189 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(F)(F)F 1471157617 SQYSZVMFZKGIKG-CQSZACIVSA-N 445.467 2.012 30 10 IEEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 1471521659 MRLRUEANXKRYHF-DMVFFGLYSA-N 436.599 2.075 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ncccn2)C1 1471911298 KSKFALISQGRDHI-KRWDZBQOSA-N 441.557 2.482 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOC(C)(C)C)n1 1492753110 MMXPDSBBIYNJOD-LJQANCHMSA-N 426.569 2.131 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccs1)N(C)C 1504998879 LGTZRTUEZLBNFO-BRWVUGGUSA-N 434.566 2.095 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCSCC2)cc1 1507515461 UZIJNGAGIKSZKO-QGZVFWFLSA-N 426.590 2.476 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1507573239 DCYFCRUOCWRETB-XXBNENTESA-N 429.565 2.325 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1507635906 WDNCRSZKXLBIFQ-SJORKVTESA-N 436.628 2.453 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CCCC2)CC1 1507740056 NKLQFPAFXDYDQW-UHFFFAOYSA-N 435.572 2.334 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1507820852 OHVMSNAYCRKMJD-GOSISDBHSA-N 437.610 2.375 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)N(C)C)CC1 1507876415 GEQMQUCKLUMTGF-UHFFFAOYSA-N 446.577 2.195 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H]2CC)C1 1508117373 UCFQBBMYEGAXGG-XLAORIBOSA-N 425.599 2.496 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCc2ccccc21 1508131810 QJINKQQGBPEKGS-SFHVURJKSA-N 431.562 2.141 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1508414061 XVGRYTJJBNRIQJ-KGLIPLIRSA-N 448.549 2.040 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1509952035 HVDQSCDORQEKOT-INIZCTEOSA-N 430.582 2.072 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COCCO1 1510271638 QZQBBMVZZKSOOA-JLSDUUJJSA-N 433.896 2.216 30 10 IEEE CN(C)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1516959116 FNCIYSKKGTYGFX-UXHICEINSA-N 438.532 2.100 30 10 IEEE CO[C@@H](CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1517794602 JRZJPGKKOBNYLO-RDJZCZTQSA-N 435.454 2.484 30 10 IEEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1520599282 JFSBMFNEBPUERY-CQSZACIVSA-N 429.395 2.362 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCN2CCOC2=O)cc1 1521101219 AIXXEXBTZQHNEZ-UHFFFAOYSA-N 435.488 2.311 30 10 IEEE CCS(=O)(=O)c1ccccc1CC(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 1533853543 OTXNDWQXCOMZQR-UHFFFAOYSA-N 431.539 2.499 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1538974010 QPXVDJUHFAZQSE-OLZOCXBDSA-N 425.555 2.256 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1539344609 DMASGGDXFAEKIE-IBGZPJMESA-N 438.454 2.441 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCN(C)C 1539556890 JNFRKTWHLJTMNT-NZQKXSOJSA-N 425.533 2.361 30 10 IEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1nncn1C 1539579183 IPNRKQMBFUIVAR-KGLIPLIRSA-N 440.346 2.381 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2F)CC1 1539743136 WFANUAGYXIXVTR-UHFFFAOYSA-N 426.500 2.132 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1539751288 KEHPOVRKQORWLU-MSOLQXFVSA-N 426.583 2.026 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539824681 YSZHATQOOLPEGK-NRFANRHFSA-N 447.971 2.496 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1540019330 GXMBMTWOEMRPIK-UHFFFAOYSA-N 433.582 2.101 30 10 IEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540037445 LNCLJZOXLMNKSZ-UHFFFAOYSA-N 432.613 2.204 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540866513 POFYQNGYKOPYAV-LRDDRELGSA-N 449.342 2.269 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1540906070 ZTOSQGCVMPSPJQ-QGZVFWFLSA-N 433.578 2.165 30 10 IEEE CC(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541531207 ODGIXNCVAAKLAS-UHFFFAOYSA-N 436.520 2.276 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)F)C1 1541990049 XWRMAZNIKNTFBU-FQEVSTJZSA-N 443.462 2.333 30 10 IEEE N#Cc1cn(CCC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c(=O)nc1O 1543193800 NBJBVVCAAUPPGA-OAHLLOKOSA-N 441.246 2.257 30 10 IEEE COc1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1S(=O)(=O)N1CCOCC1 1544822962 HEBARWLBYKIVOY-UHFFFAOYSA-N 437.424 2.118 30 10 IEEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1555344887 ARPCCWUGIBOGBK-GOSISDBHSA-N 446.577 2.007 30 10 IEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 1561260454 DVLTWUCQZYDSJK-GDBMZVCRSA-N 441.347 2.159 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCOCC1 1570189690 INJGCDIRFMFKSS-INIZCTEOSA-N 431.961 2.020 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(CC)CC 1587599424 NCKWHGLKRPUEMK-QGZVFWFLSA-N 435.536 2.027 30 10 IEEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C(=O)OC 1588127313 NILDEKCYUBNXIE-INIZCTEOSA-N 436.486 2.203 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCN1CCC(O)CC1 1588550463 SDWXINOHZXXLOY-HXUWFJFHSA-N 441.551 2.408 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2C)CC1 1588892073 WOUFERCMQQWTJU-IBGZPJMESA-N 439.560 2.325 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NC(C)C)C1 1595714641 OYJXXMLLWWRZFT-HXUWFJFHSA-N 435.532 2.437 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCc3nccn3C2)CCOC1 1596791302 QLUSPBLZZYCFCG-JBYIUTFZSA-N 427.553 2.374 30 10 IEEE N#Cc1ccc(C2(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CCC2)cc1 1611230098 BVRILHDKWATHOR-UHFFFAOYSA-N 445.566 2.379 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)N(CC)CC 1614069884 IATAKKAYVFYREM-IBGZPJMESA-N 437.548 2.180 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1617313249 GNPSKLXZBRHTOV-IBGZPJMESA-N 439.545 2.326 30 10 IEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1617331882 DNLBQRKVXUCYAT-MRXNPFEDSA-N 447.561 2.167 30 10 IEEE COc1ccc(CN2CCCN(C(=O)CN(C)C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1619904244 BXHNSLHLBHPDCA-DEOSSOPVSA-N 436.556 2.267 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CCC(C)CC1 1619911644 BISAULSIPDCGRN-UHFFFAOYSA-N 443.552 2.104 30 10 IEEE C#CC[C@@H](CO)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1625387040 ITIBJBFWPSCNQA-QFIPXVFZSA-N 442.581 2.346 30 10 IEEE Cc1ccc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1626218805 GREWCQLUIMVIGT-UHFFFAOYSA-N 430.335 2.335 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)cc1 1635180411 GGYTYGXHFMWUNQ-UHFFFAOYSA-N 437.443 2.236 30 10 IEEE COC(=O)[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1cccnc1 1635934354 URIBNPHWSXKRGH-KRWDZBQOSA-N 429.274 2.182 30 10 IEEE N#Cc1ccc([C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CCO2)cc1 1636289514 SKZMHESOLFPPHP-KRWDZBQOSA-N 447.463 2.491 30 10 IEEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O)C(=O)OC(C)(C)C 1637105411 RMENOMZNUDVNMO-UHFFFAOYSA-N 439.534 2.232 30 10 IEEE C=C(C)C[C@@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1637347307 LMYYCGSNQLQUMM-KRWDZBQOSA-N 444.536 2.418 30 10 IEEE CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637506713 ZAHASLZBYNQTGE-BQYQJAHWSA-N 431.452 2.254 30 10 IEEE COC(=O)[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1639001466 CCXMHRDDSKMJOK-GOSISDBHSA-N 449.573 2.381 30 10 IEEE Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636474 HUUFMUSZQWYWBB-UHFFFAOYSA-N 425.445 2.013 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C(=O)OC)cc1Br 1655924154 CDKMEAWWCLYSMS-UHFFFAOYSA-N 446.319 2.201 30 10 IEEE C[C@](CO)(Cc1ccccc1F)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1656292871 GEFNAISAKFJARA-SIKLNZKXSA-N 430.549 2.179 30 10 IEEE C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1664525245 LGWBKWZNOPSICC-FQEVSTJZSA-N 434.445 2.385 30 10 IEEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)C1CCOCC1 1667003940 JBWVSGCBRVVZDC-DYESRHJHSA-N 433.574 2.335 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)C1CCOCC1 1667003943 JBWVSGCBRVVZDC-UWJYYQICSA-N 433.574 2.335 30 10 IEEE C#CC[C@@H](CO)NC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1673572605 FKRFQFVYPAEEGJ-FQEVSTJZSA-N 444.576 2.229 30 10 IEEE N#Cc1cn(C2CN(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)C2)c(=O)nc1O 1681874523 PMZFGVWEUPKHNG-NNUKFRKNSA-N 433.390 2.352 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1690156379 WSYMOPADDBXUIF-HOTGVXAUSA-N 449.602 2.042 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1690159863 OYUWGQNETFZCDZ-UHFFFAOYSA-N 445.545 2.217 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1690198372 LVFLZIPFINYIBZ-LJQANCHMSA-N 434.953 2.021 30 10 IEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690302345 BOZAMPXLTOOIRD-IBGZPJMESA-N 443.548 2.076 30 10 IEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690304518 FNJLPONKQJDYEM-UHFFFAOYSA-N 433.578 2.182 30 10 IEEE C=C(Cl)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690358905 NVRBASFBVJAJQY-ZRGWGRIASA-N 425.917 2.006 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1690659063 IQPOVSPWFQFUDZ-UHFFFAOYSA-N 440.548 2.409 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncnn2C(C)(C)C)C1 1690714237 HWANFNACHDBNTD-LNLFQRSKSA-N 445.568 2.178 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)c1cc(OC)cc(OC)c1 1690724956 ZNZCNIGZLRMCDD-HNNXBMFYSA-N 436.534 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731664 POIVDYNYWKMTOF-IYBDPMFKSA-N 439.582 2.250 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCn2ccnc21 1694327054 LMZRCWYLLLSHEL-VFNWGFHPSA-N 428.516 2.413 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCOC1 1696847501 JOVHRUMREDQHLR-LJQANCHMSA-N 449.353 2.328 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)C1 1698298583 QNDDOKLDCBPCOM-OAHLLOKOSA-N 443.451 2.367 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705485833 QAWDWBXRAYYHHC-IAGOWNOFSA-N 438.557 2.233 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C(C)C)N1CCOCC1 1705501470 ZQPROWOMXOTARB-ZWKOTPCHSA-N 444.605 2.084 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(N(C)C)CCSC1 1705578431 RYXSSDMBDFSAKX-HSZRJFAPSA-N 439.585 2.472 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1705636086 XMUCEVJIFXAWKR-QFIPXVFZSA-N 449.647 2.289 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC[C@H]2C)CC1 1705636188 AUFWLYWDYHWVHQ-MOPGFXCFSA-N 439.560 2.390 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705657880 UIJGPCKOVBPHQJ-KRWDZBQOSA-N 445.556 2.083 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1705677700 YIIOIWFWMJBCMB-IIBYNOLFSA-N 429.546 2.067 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1705876499 ZIYYWXQDOIFKFH-JKSUJKDBSA-N 445.536 2.225 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1705895103 UFNZFRSQHXDHKG-RDJZCZTQSA-N 428.924 2.152 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705904172 HMYYSNJXGFPUGU-UHFFFAOYSA-N 428.512 2.161 30 10 IEEE CCc1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709159947 XSTAOQMFOLUCBM-LURZSEBBSA-N 436.516 2.253 30 10 IEEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1=O 1710258987 VHZCRZXTBLYGOW-HXUWFJFHSA-N 438.532 2.071 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)[C@H]1C 1710893660 PDKUQGOGYNISNP-HZPDHXFCSA-N 448.618 2.476 30 10 IEEE COCCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712311000 JXIJJYOQKQLEBN-UHFFFAOYSA-N 436.520 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722296903 BUBGMBLQAKDBLL-DLBZAZTESA-N 440.573 2.090 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1722332656 NQUYYRUHAARJEG-UYAOXDASSA-N 428.558 2.480 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccsc1Br 1722351074 GIKFBPTXRUGXOI-GFCCVEGCSA-N 429.365 2.122 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCO[C@H]1CCOC1 1722358137 XMWYIGLZCMVGIN-KSZLIROESA-N 433.553 2.314 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccccc1N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722367098 UZUGFNAGMKVTGH-FQEVSTJZSA-N 427.574 2.252 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@H]1CO 1722392922 WQQDGDUVDZAFTD-NRFANRHFSA-N 449.555 2.374 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N1CCOCC1 1722393260 XOOLVOVDQQJOMQ-UHFFFAOYSA-N 429.883 2.059 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCSC1 1722680536 PMNPOJFAMJMXDB-NRFANRHFSA-N 428.562 2.023 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1722681292 JCFFCDBATBXKOP-FQEVSTJZSA-N 442.564 2.091 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)C1 1722698217 WVPJKNYUAQUSBH-MRXNPFEDSA-N 435.532 2.213 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCOCC2)C1 1722709267 LTKGDNBLXMJUJU-KRWDZBQOSA-N 435.594 2.208 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)C1 1722716491 VVEAGNXTCXDARB-OAHLLOKOSA-N 447.341 2.499 30 10 IEEE CC(C)CC(=O)Nc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1723239195 GTWFEIHYFAZVDR-LJQANCHMSA-N 446.515 2.497 30 10 IEEE CC(C)Cc1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723279943 BGALOUPURZVOPF-FVGNFYTDSA-N 428.537 2.008 30 10 IEEE CC(C)[C@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1723926807 CZYYPMMQZDVBGT-RYQLBKOJSA-N 438.598 2.079 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1728641531 HLEWYCXCXOOLGD-HNNXBMFYSA-N 446.577 2.249 30 10 IEEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1731115220 XYEVFXKPLIRIIY-INIZCTEOSA-N 448.618 2.430 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740620782 RKYOMCFRFTWREV-LDLUVENISA-N 448.614 2.119 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740623416 SWLHIIKNINHZRL-CECAUBDESA-N 445.589 2.072 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740627802 KQSHWZDPDGKWNC-CMKODMSKSA-N 444.557 2.224 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(OC)C1CC1 1740683776 FIYOKASJWKTXOQ-HSZRJFAPSA-N 436.516 2.495 30 10 IEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1740817580 KVULRBIOBLRKKK-UHFFFAOYSA-N 440.523 2.169 30 10 IEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCCS(C)(=O)=O)CC1 1740819337 MUMCBSMBBOXFOT-FQEVSTJZSA-N 426.583 2.302 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1740961264 RCZHRNWAJSOAEF-UHFFFAOYSA-N 430.528 2.253 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOC(C)(C)C2)C1 1740981318 NQQUGEWZAOMZKD-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCOC(C)(C)C1 1740993164 UMWDTWWRIRMMON-UHFFFAOYSA-N 440.516 2.363 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1745555371 RXLKMKNQYIROBP-SFHVURJKSA-N 440.504 2.186 30 10 IEEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCSCC)CCOC1 1746728477 MABJHEMSQKWKEP-RXVVDRJESA-N 434.610 2.250 30 10 IEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1747396019 OEKZQENSAXOIOD-VQIMIIECSA-N 429.546 2.421 30 10 IEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1747966505 ILSCVCYEHPKXQI-GOSISDBHSA-N 443.458 2.486 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1748648862 FYPBIITZWIAIDC-DLBZAZTESA-N 443.548 2.150 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1748759755 OHOMJAWTNZDWAY-UHFFFAOYSA-N 438.576 2.145 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N(C)C 1748898709 PXCPJWLFVIFHQL-QHCPKHFHSA-N 447.631 2.056 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1748929992 VHYNNWDGLLXZQA-IBGZPJMESA-N 427.574 2.070 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OC 1748945702 XYGRWURQYXDCIR-IBGZPJMESA-N 434.475 2.460 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)CN2CCCCC2)CC1 1748971522 TYBGCICXDXBQIG-FQEVSTJZSA-N 443.640 2.074 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCC=C)CC1 1748986973 OBEHMYTXDKNXJH-UHFFFAOYSA-N 431.544 2.479 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(OC)c2)CC1 1748994774 QNJRHSOTKHHOIL-UHFFFAOYSA-N 433.560 2.146 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749456886 MULREQWBFOSNMI-FQEVSTJZSA-N 449.559 2.410 30 10 IEEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749634773 KGZAFJYMDNXFPA-JXFKEZNVSA-N 443.621 2.199 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC=C)Cc1ccccc1F 1749649999 GKFGRXDSFHNJNI-UHFFFAOYSA-N 426.496 2.148 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1749953497 KWCUOHHHMSHIPC-OPAMFIHVSA-N 444.511 2.194 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1760145241 KWLBGDDEXVQLPX-KRWDZBQOSA-N 429.496 2.266 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1OC)N1CCCC1 1760192203 GGFNMCLWYNWLSI-OAQYLSRUSA-N 448.571 2.335 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccco1)N(C)C 1760206505 BOGPMZFZHDHNBX-KRWDZBQOSA-N 436.541 2.238 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1760249391 KOIJXUIUCIVZJM-RTWAWAEBSA-N 440.544 2.392 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(C)C(C)C)CC1 1760261390 KYPLICPKLCBJRF-JOCHJYFZSA-N 438.576 2.276 30 10 IEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC)C1 1760374061 HRRPGILQXJBIKT-KRWDZBQOSA-N 433.944 2.056 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(CCC)CC1 1760555945 QXBBGGNPZXVLSD-GOSISDBHSA-N 439.626 2.084 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1764685002 HCDJMCHMNDIGIA-FQEVSTJZSA-N 446.559 2.488 30 10 IEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNc2ccccn2)CCOC1 1765879614 JKRGLQDETFRJAR-SFTDATJTSA-N 429.500 2.269 30 10 IEEE CN(CC(F)(F)F)c1nnc(CN2CCCC2=O)n1CCOCC(F)(F)C(F)F 1767042606 UKMDEUKQKXGRDH-UHFFFAOYSA-N 435.344 2.316 30 10 IEEE COCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769656686 USDGBSDCSMILAO-QRQLOZEOSA-N 446.577 2.058 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)n1 1771001587 WLUZCNKIZZHGTQ-UHFFFAOYSA-N 448.531 2.287 30 10 IEEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](C2CCCCC2)N2Cc3ccccc3C2=O)NC1=O 1851144463 LARDJMZFJXYSTP-LJQANCHMSA-N 436.512 2.302 30 10 IEEE CN(C)C(=O)[C@H]1C[C@@H](OC(=O)c2nc(C3CC3)ccc2C#N)CN1C(=O)OC(C)(C)C 1852340371 BDRXVPBJUJFYLF-NVXWUHKLSA-N 428.489 2.454 30 10 IEEE CN1CCC[C@@H]1C(=O)O[C@@H](COc1ccccc1C#N)CS(=O)(=O)c1ccccc1 1852503947 CFBKKHFCCCZQRA-AZUAARDMSA-N 428.510 2.417 30 10 IEEE N#Cc1ccc(CCC(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1853160042 WTZXSGLAUVSAMR-UHFFFAOYSA-N 445.516 2.180 30 10 IEEE Cc1nnc2c(N3CC[C@@H](N(Cc4c[nH]nc4-c4ccccc4)C(=O)CC#N)C3)nccn12 1853511306 MBTALZPROSYNBZ-LJQANCHMSA-N 441.499 2.344 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC(F)(F)F)c2)C(=O)C12CCCC2 1854415491 CVXZHTAMJWRMDR-UHFFFAOYSA-N 445.419 2.036 30 10 IEEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(F)c1 1854756129 SQVFTDQKNFSTBX-UHFFFAOYSA-N 429.473 2.078 30 10 IEEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCCCC1 1857021655 XBJGWYWATKFPIY-GOSISDBHSA-N 431.558 2.317 30 10 IEEE C=CCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1858033120 FCDDZKVGQRMBIN-UHFFFAOYSA-N 445.541 2.399 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)Cc1ccc(OC)c(OC)c1 1861853159 MJUCNPHCSJEUKM-FQEVSTJZSA-N 440.496 2.201 30 10 IEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 1862708034 KWPGIRMQPQJGNT-BLVKFPJESA-N 443.452 2.377 30 10 IEEE C[C@@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 1870023068 IQXRBPHUORTUFV-IIDMSEBBSA-N 442.545 2.244 30 10 IEEE C=CCOc1cn(CCN(CC)CC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870811187 NACLKGVOKOIFIW-UHFFFAOYSA-N 434.562 2.014 30 10 IEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1cccc(N(C)C)c1 1870983084 LADUKCZHCKHBGM-NRFANRHFSA-N 440.544 2.386 30 10 IEEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596705 PNMNLGVEQKNUBQ-UHFFFAOYSA-N 441.580 2.408 30 10 IEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2)cc1 1874220137 WEFHPIQGPPEHEB-YDZHTSKRSA-N 441.513 2.464 30 10 IEEE NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874427280 ACKPRPSYTYDVFT-UFFVCSGVSA-N 440.441 2.084 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCCC3)SCC(=O)N2C2CC2)cc1 1889263730 HOJRCRGWJAFFER-FGZHOGPDSA-N 427.570 2.058 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cs1 1890095992 FAMAQTSHJTXGEA-UHFFFAOYSA-N 434.525 2.478 30 10 IEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2015327421 SJQHWZSZZVNLQL-HNNXBMFYSA-N 426.319 2.248 30 10 IEEE CC(C)(C)OC(=O)N1CCC(CO)(NCc2occc2B2OC(C)(C)C(C)(C)O2)CC1 2070017892 DRGPDPHSMPRSBR-UHFFFAOYSA-N 436.358 2.430 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@H](Cc1ccccc1Br)C(=O)O 2229124338 RTZJBPUIBNVGHA-CQSZACIVSA-N 425.279 2.089 30 10 IEEE Cc1nc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247905138 GKMOFMYRSKFBFZ-UHFFFAOYSA-N 437.371 2.490 30 10 IEEE COc1ccc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255542349 QGKIPDXHNQTYHD-JKSUJKDBSA-N 432.326 2.390 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255643983 DUVJYDAIYGIOCT-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCCNC(=O)OC(C)(C)C)n1 2255833169 YMVFHCZKBZBATQ-UHFFFAOYSA-N 436.362 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 2267092228 MSHVGZIQLZTAKF-CVEARBPZSA-N 446.357 2.227 30 10 IEEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267180142 CEWWRVJVNYNUGZ-IBGZPJMESA-N 438.381 2.313 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267197012 UWFNZYLEHMVSEL-GDBMZVCRSA-N 448.373 2.143 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267491662 GWZRKETZLULEMH-JKSUJKDBSA-N 448.373 2.237 30 10 IEEE Cn1cc(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516805 JBLALEUEOMNJKU-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267579300 QASOMWFPNSZZAL-HSZRJFAPSA-N 446.353 2.088 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268646607 KLUWQOMKKYYCSI-IVZQSRNASA-N 447.341 2.249 30 10 IEEE C=CC[C@@](C)(NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2270533910 BKQGTTLYTSKNKQ-XJKSGUPXSA-N 438.424 2.183 30 10 IEEE CC1(C)OB(c2cncc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)c2)OC1(C)C 2282186357 TULINCSGPIJULK-FCHUYYIVSA-N 449.360 2.106 30 10 IEEE CCC(C)(C)N(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286050567 BWDLASPIJDJPDM-KRWDZBQOSA-N 439.534 2.188 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2303304981 XSOUNJQNQLEPLM-AABGKKOBSA-N 428.533 2.295 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)C#Cc1ccccc1Br 2313884304 FYQATICRYUKQEM-CQSZACIVSA-N 430.320 2.308 30 10 IEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccco1 2328989196 VKTWDEILLMWGAB-OAHLLOKOSA-N 432.550 2.438 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2337195823 DIDOJEUVPDTUFE-GASCZTMLSA-N 448.373 2.285 30 10 IEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1OC 20292713 CNEQJLULARVZJL-SSDVNMTOSA-N 441.517 2.494 30 10 IEEE NC(=O)c1ccc(C#CCNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 96347942 UGMBSTCWAJEVEJ-MRXNPFEDSA-N 440.297 2.069 30 10 IEEE COC[C@H](C)N/C(=N/N)Nc1cc(Br)ccc1I 302327016 FQNWXTDQHIHXFH-ZETCQYMHSA-N 427.084 2.320 30 10 IEEE C=CCNC(=O)CN1CCN(Cc2cc(Br)cc(Br)c2N)CC1 463283249 DSEVTBASOFWAJQ-UHFFFAOYSA-N 446.187 2.214 30 10 IEEE CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 475767306 HDSSLUQIQBAPTP-VGOFRKELSA-N 426.517 2.281 30 10 IEEE C[C@@]1(c2ccc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)cc2)NC(=O)NC1=O 482637109 JSZMTTUZYHISBA-QHCPKHFHSA-N 431.496 2.029 30 10 IEEE Cc1ccc(CCC(=O)NCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 503678811 HGKBXACTWIYEEK-HXUWFJFHSA-N 436.537 2.456 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 531869842 OCRNOOVLSBGDOT-INIZCTEOSA-N 435.546 2.381 30 10 IEEE Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC[C@H]2CCOC2)c1 541900233 BHGHTMQTZIRUSH-INIZCTEOSA-N 426.521 2.362 30 10 IEEE COc1cccc([C@@H]2[C@H](NCC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCN2C2CC2)c1 549476260 CVIZJJFUAMHQLQ-VDKIKQQVSA-N 439.604 2.255 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)c1 549495787 DLLMZMJBGFYNMG-SFTDATJTSA-N 439.516 2.464 30 10 IEEE COc1ccccc1Nc1nc2sc(C(=O)NCCn3cnc(C#N)n3)cc2s1 553165173 NFDZTZPMOJVYBR-UHFFFAOYSA-N 425.499 3.003 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 555170209 RVQNCNASFPWQFD-CJNGLKHVSA-N 432.492 2.485 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 579893961 FFLABHKQBDGPQQ-HXUWFJFHSA-N 425.533 2.224 30 10 IEEE C=CCCCN(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 605677162 OYBSCNITFBZSDG-INIZCTEOSA-N 445.379 2.407 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CSc3ccccc32)CC1 609817968 XOQAXEQCZIUFRY-QGZVFWFLSA-N 428.539 2.421 30 10 IEEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 609985251 QKTMTXNVXJODIX-SNVBAGLBSA-N 445.444 2.364 30 10 IEEE N#CCn1c(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc2ccccc21 611238496 WPFKAFSKRFVYPA-SFTDATJTSA-N 427.508 2.494 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 614904135 XZUFGQPPXKXCMQ-KRWDZBQOSA-N 438.549 2.142 30 10 IEEE COC(=O)C1=C(C(=O)c2cc(F)ccc2F)[C@@H](c2cnn3ccccc23)NC(=S)N1 729663160 PJBNSAYJDQCQHD-MRXNPFEDSA-N 428.420 2.441 30 10 IEEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730137685 HAPODZWTWLOVAQ-INIZCTEOSA-N 428.505 2.001 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCCc1nc(-c2cccs2)no1 749274760 MTOARJAHXFYMJX-UHFFFAOYSA-N 446.510 2.403 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NO[C@@H](C(=O)O)C1CC1 757486841 RUPMVBHBYJIWDE-JOCHJYFZSA-N 434.448 2.440 30 10 IEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1CC[C@H](C(=O)O)O1 757488324 ZHJIMCWUPCFFIN-OPAMFIHVSA-N 448.475 2.277 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(-c3cccnc3)c2)c1=O 758075145 DISYPTODLTVBPC-UHFFFAOYSA-N 425.513 2.477 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccc(C#N)nc2)C1 760136015 ZPDXGUQHBJHTEB-APWZRJJASA-N 441.532 2.321 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1C 774264574 FFDHCLFLBAHAJO-GOSISDBHSA-N 434.606 2.464 30 10 IEEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CCN1C1CC1 778611360 GVHHBWDUNUYHOZ-ZWKOTPCHSA-N 446.935 2.425 30 10 IEEE COc1ccc(N2CCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 780180134 OTPQLANTQUOWQI-HSZRJFAPSA-N 445.516 2.149 30 10 IEEE CCc1n[nH]cc1C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 785171444 AGJZFCYMUAVNOA-AWEZNQCLSA-N 425.489 2.499 30 10 IEEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CC[C@]3(CNC(=O)C3)C2)c1=S 788384344 XLCIEGXUYJVQOJ-UTKZUKDTSA-N 427.530 2.282 30 10 IEEE C[C@@](C#N)(NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CC1 790530040 KTWHVVOKHXBBJI-NLFFAJNJSA-N 445.475 2.246 30 10 IEEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C)c2=O)cn1 793470063 VKRTXHRGENZQSY-UHFFFAOYSA-N 434.521 2.031 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)COc2ccc(F)cc2Br)cc1 916179596 DODQSULDSTWXIG-UHFFFAOYSA-N 427.251 2.485 30 10 IEEE C[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(F)cc1 918589942 FONRRYBIFTVADY-CQSZACIVSA-N 433.461 2.052 30 10 IEEE COc1ccc(C=NNc2nc(S[C@@H](C)C(=O)N(C)C)n[nH]2)cc1OCn1cccn1 1084134836 YFHYHVUAHSDTHS-ZDUSSCGKSA-N 444.521 2.061 30 10 IEEE C=C(CCN(C)C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1137587808 KKTQZDOFGMULCL-RBUKOAKNSA-N 436.597 2.249 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](COc3ccccc3)C2)s1 1138206190 GUROWDLJBAUXBR-KRWDZBQOSA-N 436.555 2.061 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1140964600 QBINDWJHDAWUDI-MSOLQXFVSA-N 426.330 2.166 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)c1ccc(F)cc1 1252431269 ISXXUFSXYYUWCC-HXUWFJFHSA-N 443.500 2.071 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286357092 YCHADUHGVGFWFZ-KKSFZXQISA-N 429.546 2.067 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cc(OC)c(OC)c(OC)c1 1286411004 LJBOCEJDPNBROZ-UHFFFAOYSA-N 431.496 2.411 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1286413557 LARRKNWQEAEJTF-HXUWFJFHSA-N 435.528 2.246 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(CC(N)=O)CC1 1286506078 PNDYESCSWVWMIN-UHFFFAOYSA-N 427.574 2.336 30 10 IEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1286507802 CGJUVTUAODFRFB-DOTOQJQBSA-N 434.587 2.450 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1286546877 BDGINYLQAUWCJU-AZUAARDMSA-N 441.580 2.482 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1nc(CCOC)no1 1286564793 YUYLYPGOAFOYLN-UZLBHIALSA-N 441.536 2.473 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286573131 GRCSGRGVNYVQRC-UHFFFAOYSA-N 447.543 2.314 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286604538 MDMGGDZOMBVIOE-OAQYLSRUSA-N 428.493 2.408 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1286660671 PJPVMPVINGNVSA-LJQANCHMSA-N 443.573 2.225 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286679791 CMGDVIXMSNLRPJ-UHFFFAOYSA-N 442.568 2.274 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCNS(C)(=O)=O 1286747744 PXRWQFRXRYDXPW-QGZVFWFLSA-N 437.541 2.053 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1286774810 JTHGRMQQRGGUKS-PKOBYXMFSA-N 432.546 2.170 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@](=O)CC)C1 1286809146 GRCLTXNTCSWKKG-BQVMBCESSA-N 432.546 2.341 30 10 IEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286830986 XYCIUUSESMRCAM-NVXWUHKLSA-N 432.546 2.233 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1287033421 PAGMGBFLNIYJJB-QZQOTICOSA-N 441.580 2.068 30 10 IEEE Cc1nnc(N(C)CCOc2ccccc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1290738200 ZCLIMGPTARXDNU-VHEBQXMUSA-N 430.896 2.282 30 10 IEEE Cn1cccc1-c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOCCCO 1298864411 KWDOKZXBNQOTAA-NRFANRHFSA-N 436.516 2.132 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H](O)C1 1300300401 ZFDNCIBBQSZDDQ-GVDBMIGSSA-N 430.578 2.247 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1300309513 HODMDEAFBDXRGH-PXNSSMCTSA-N 425.533 2.359 30 10 IEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCO[C@H](C)C1 1300448986 JYGTYUMIKLTDCW-GOSISDBHSA-N 425.533 2.287 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300495102 CSPPLNWCANIBJP-OALUTQOASA-N 435.638 2.368 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)cc2OC)CC1 1300685130 HCSHWXYSGNEVSB-DEOSSOPVSA-N 439.560 2.051 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300891603 ZTKFIAJGGWQAOD-VQIMIIECSA-N 425.599 2.120 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)C1)OC 1301028720 AICSLIOKUTUJQT-SIKLNZKXSA-N 429.521 2.395 30 10 IEEE N#Cc1ccc(C2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)CC2)nc1 1301180703 DHJRQMRHSIMARF-UHFFFAOYSA-N 440.525 2.463 30 10 IEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1301458623 DDBZEIPANZOWBL-IAGOWNOFSA-N 431.541 2.161 30 10 IEEE C[C@@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1304967527 DACUKBQZAPDCKZ-JZRSTAGNSA-N 435.532 2.415 30 10 IEEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1313559794 OXSZLCZBYCCLGN-HXUWFJFHSA-N 437.548 2.196 30 10 IEEE CCOCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1314453825 XEBJKJJJHRWWKG-KRWDZBQOSA-N 435.536 2.467 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br 1315032485 FUOZOPRDOIBYMP-UHFFFAOYSA-N 427.253 2.377 30 10 IEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1358910259 JPKOICIFHPYXAW-SFHVURJKSA-N 447.543 2.100 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1358958190 JKIWJJLIRIYTPQ-INIZCTEOSA-N 443.529 2.380 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359096896 IJHZESLXSOFSPJ-NSHGMRRFSA-N 441.580 2.353 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359203991 ZXHLNWDZHOEBCI-KRWDZBQOSA-N 425.599 2.389 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359299633 KFWIZVZEEOJGTR-LEWJYISDSA-N 438.576 2.185 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)C1 1359325446 FQLRZLCFUNNBHR-IRXDYDNUSA-N 448.568 2.268 30 10 IEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C=C)CC1 1359334520 IVCMAWOVGJGYQD-UHFFFAOYSA-N 449.602 2.273 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)C1 1360784151 ZREWFXKYRNHZRU-HXUWFJFHSA-N 443.939 2.406 30 10 IEEE Cc1nc(=NC(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1361055754 QEUBKYJWBXXWKC-SFTDATJTSA-N 432.532 2.055 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)c1 1441630711 MBLKKZQZGTVCTA-SKDAWRFRSA-N 444.488 2.388 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=CS(=O)(=O)CCC2)cc1 1441887822 HHEQUEQONZPVPB-DYTRJAOYSA-N 439.559 2.311 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4ccc(C#N)cc4[N+](=O)[O-])C3)[C@@H]2C1 1458549620 NOXYRPFJHRLVPA-OLMNPRSZSA-N 443.460 2.485 30 10 IEEE COCCOCC(=O)NC1CCC(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)CC1 1461651158 JLTGHCIQIZAGAR-UHFFFAOYSA-N 443.544 2.018 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1466064991 UMUADAIOPHOYLB-JKSUJKDBSA-N 428.537 2.278 30 10 IEEE CN1CCN(Cc2cccc(CNC(=O)N3CCN(c4ccc(C#N)cc4)CC3)c2)CC1 1468583531 CLIACOCQBSURNL-UHFFFAOYSA-N 432.572 2.337 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 1469533236 ASZHSVRBNVRBGG-INIZCTEOSA-N 428.470 2.221 30 10 IEEE N#Cc1c(CCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)nn(-c2ccccc2)c1N 1470830880 VBXYLWXYDONQIZ-XLIONFOSSA-N 430.459 2.372 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)C2)C1 1471110992 MNQHMEPFKDWJOF-RYTBJUFESA-N 442.442 2.285 30 10 IEEE COC(=O)CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCCCC1 1473628936 IMDLGMFOVPQBQO-OAQYLSRUSA-N 430.524 2.342 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)CC2)c1 1478901705 MKTHNBGICFPQCZ-OAQYLSRUSA-N 430.574 2.131 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1507560283 GKRAVISOCYNKGM-UHFFFAOYSA-N 438.557 2.047 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1507732462 VUVVKIFRXIGJPJ-INIZCTEOSA-N 447.486 2.196 30 10 IEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507754152 URVUOCNOOROZMA-OAHLLOKOSA-N 447.586 2.025 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1507970406 MJAVAVWIDLNOHW-GCJKJVERSA-N 430.553 2.342 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1509943653 FEVWCRCUJDUFJN-GOEBONIOSA-N 431.518 2.379 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1509951159 FNXYWJYTBIDMED-UKRRQHHQSA-N 427.475 2.242 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)C1 1521062616 GCDAHTUXJHURLA-PGRDOPGGSA-N 444.486 2.460 30 10 IEEE CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 1529383064 KLXBUSVLUQJQDI-FNORWQNLSA-N 427.482 2.445 30 10 IEEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N3CCOCC3)c1)C2 1535784959 ANNQNFXLLYMJOW-GOSISDBHSA-N 445.928 2.130 30 10 IEEE C[C@]1(C#N)CN(C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCO1 1536618644 IHFHRHULEDGBRH-FQEVSTJZSA-N 431.539 2.250 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539215999 MPFUAQSSQQNBHN-RHSMWYFYSA-N 442.545 2.308 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1539216022 MTYIWUPFJXACGX-GFCCVEGCSA-N 442.438 2.387 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCc3ccccc3C2)CC1 1539829381 XHPGRQCGDFNXEA-GOSISDBHSA-N 444.605 2.103 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1540867634 BXYACBSWXCGOIY-IBGZPJMESA-N 439.495 2.181 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1542348739 NHYZNAPOQFWHOM-KSZLIROESA-N 438.569 2.353 30 10 IEEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 1545342256 JUCZOOGYVRNJLY-AWEZNQCLSA-N 440.443 2.146 30 10 IEEE CCCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1547278159 DITMDLORFRBLSD-NFBKMPQASA-N 441.532 2.496 30 10 IEEE CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1547735165 ASWFIOCXFDISSH-DEOSSOPVSA-N 436.608 2.422 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1555269687 LFPACPOVZWOKST-IRXDYDNUSA-N 433.484 2.454 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCCCO)CCO1 1555992627 XLRFLHVXJJSFJC-SFHVURJKSA-N 446.939 2.143 30 10 IEEE N#Cc1cn(CCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c(=O)nc1O 1556390427 AQPMSCGLDPSBLD-HNNXBMFYSA-N 435.253 2.476 30 10 IEEE C=CCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)nn1 1557105138 SPUFITSFXZQDEH-KRWDZBQOSA-N 447.337 2.217 30 10 IEEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 1557384491 PQHZWBVFNJVFRA-GOTSBHOMSA-N 428.492 2.486 30 10 IEEE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)NCC#N 1557678404 WJFNGKRISGEUMG-IRXDYDNUSA-N 448.545 2.021 30 10 IEEE COc1cc(CN2CCO[C@@H](CS(C)(=O)=O)C2)ccc1OCc1cccc(C#N)c1 1560185485 WBJUCDKJJVPKGS-HXUWFJFHSA-N 430.526 2.391 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)ccc1F 1569503525 SMNDUKNEFMAKGZ-WGMWDUQUSA-N 429.517 2.150 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 1584641972 OOVSFPVYXAKJPC-UHFFFAOYSA-N 447.289 2.155 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)CN(C)C 1587922119 SGRMXRCZDRTYAK-UHFFFAOYSA-N 431.610 2.204 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588075094 XODROZUJDAGMDR-HRCADAONSA-N 435.575 2.017 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1588271860 QHEGDSIMLPRFMR-HSZRJFAPSA-N 431.581 2.035 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O 1588660696 YMOHSSHVAUGFBZ-SFHVURJKSA-N 434.537 2.061 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1589077807 AVUOERWOOIIGGL-CQSZACIVSA-N 433.484 2.154 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1595753393 HURAVIJHHXPNQQ-ZACQAIPSSA-N 445.486 2.174 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595850818 UOPQLEKUOLEHFX-INIZCTEOSA-N 437.547 2.396 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3nnc4n3CC[C@@H](C(F)(F)F)C4)cc2C1=O 1595995319 FXFVJGBCPAWHKB-GFCCVEGCSA-N 433.390 2.115 30 10 IEEE CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1596787287 BHHIVAPACVSAQF-MISYRCLQSA-N 447.377 2.467 30 10 IEEE CN1C(=O)NC2(CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(F)F)CC2)C1=O 1618379691 XPNKYZBIGUKQNE-UHFFFAOYSA-N 443.458 2.383 30 10 IEEE COC(=O)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1625226763 JAESLNMCBJUPPL-SFHVURJKSA-N 428.489 2.303 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1627303840 VBFSFJNSUNUGOY-GJZGRUSLSA-N 427.933 2.434 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(Cc3cccnc3)CC2)C1 1629384307 KHOMNZZUVFIISD-UHFFFAOYSA-N 440.345 2.496 30 10 IEEE C#CC[C@H]1CCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1630401807 UCIDGOKWBUGEAG-ROUUACIJSA-N 440.569 2.416 30 10 IEEE C=CCOC[C@@H](NC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1634064262 ZWYKUGBCILNWGU-CYBMUJFWSA-N 438.443 2.426 30 10 IEEE C=C(CCN(C)C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634741602 QODYFNQYNKEZJW-MRXNPFEDSA-N 444.395 2.226 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 1635701871 VTDDSNMMTSPXNY-YRPNKDGESA-N 438.528 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H](O)COCC1CC1 1635847772 ULIAEWCAFRRDGL-AZUAARDMSA-N 429.517 2.296 30 10 IEEE CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1636974838 RAFJOBGQQMNULC-KRWDZBQOSA-N 436.383 2.166 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)[C@H]2C1 1638218114 OIUDSXKGXDNJTD-XLAORIBOSA-N 427.505 2.229 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)CNC(=O)N3CCc4ccccc4C3)CC2)c1 1640508994 FTBVYJHPTUWMOS-UHFFFAOYSA-N 431.540 2.407 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@](O)(CC)C3)nnc12 1648967734 GGLSXTCNLJIZAH-OAQYLSRUSA-N 427.530 2.086 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1OC 1651778334 KSZCAXOOWQQHKI-GXVATQTDSA-N 445.541 2.395 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)C1CCN(S(=O)(=O)c3ccccc3)CC1)C2 1653211318 YXGSKPBMRPNJHX-UHFFFAOYSA-N 430.555 2.188 30 10 IEEE CCOC(=O)c1sc([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)nc1C 1654667802 LLOYKXKLSGIJIK-ZWKOTPCHSA-N 447.605 2.110 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 1654921683 VJKMTIKIRWYREJ-UHFFFAOYSA-N 429.424 2.478 30 10 IEEE CC(=O)N(c1ccc(F)cc1)c1nc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1655683592 IAQISNCUJYSRAE-LIRRHRJNSA-N 434.518 2.337 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 1664294953 DCFYSCVKSJEVDT-UHFFFAOYSA-N 433.280 2.323 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)cc1 1665969174 KQQDVBSEPXKVNI-LJQANCHMSA-N 430.486 2.362 30 10 IEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccnc1C(=O)OC 1668595738 UAFQURBXSCEGOC-KRWDZBQOSA-N 432.498 2.219 30 10 IEEE C#Cc1ccc(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)c(Cl)c1 1680872863 BFHZLAKODGMMPL-UHFFFAOYSA-N 448.712 2.368 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)C1 1687593520 SBDZEZNLUGHBSI-SQNIBIBYSA-N 428.499 2.449 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC(C)CC1 1689840380 YLKLSIMTPZAKNZ-RTBURBONSA-N 433.564 2.499 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1689865452 UZYPXMSWKHAWGB-XSLAGTTESA-N 433.553 2.297 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689998630 RQQFISIMUDUCPX-XUVXKRRUSA-N 444.557 2.144 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1C 1690033434 XIHCBAJPMHGVHK-KRWDZBQOSA-N 431.537 2.041 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCOCC1 1690095526 SWZXCOLJOUFNBJ-LJQANCHMSA-N 449.559 2.142 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1690214444 JYXBHCHWYFWUPZ-BMCPXHGSSA-N 442.564 2.177 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 1690236773 QZUAANXQYRKXEF-AZUAARDMSA-N 430.597 2.462 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)C1 1690700645 VQEJSIFFGWMWMP-UYAOXDASSA-N 445.589 2.076 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCOC2)C1 1690712063 MVCZZOKBJMHQAK-CVDCTZTESA-N 428.533 2.407 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(C)(C)C)CC1 1690724818 WYDPHPJRWYMCDN-SFHVURJKSA-N 439.626 2.431 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1691003488 HTUQZXXIWJDMIL-PXNSSMCTSA-N 440.548 2.497 30 10 IEEE CCc1nc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1694596515 OIBIOWRIRQGQDI-GFCCVEGCSA-N 449.562 2.057 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C1CC1 1705479652 NMLOOQCJCMLMMO-JKSUJKDBSA-N 443.621 2.487 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCc2nnc3n2CCCCC3)c1 1705503923 INQGPNVSCQCXIP-UHFFFAOYSA-N 432.532 2.203 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705525914 ZEVOYDVWRDGORZ-HIFRSBDPSA-N 431.338 2.174 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1705598459 KCNSRQGRFWVZTR-JOCHJYFZSA-N 433.556 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C)COC1 1705601008 UKDPGAFEIIRSOR-UHFFFAOYSA-N 446.599 2.142 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1705674538 LGOMJXWIVJHZTM-PGRDOPGGSA-N 441.557 2.179 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)CC 1705837946 VIVIHKNPIKTXDB-UHFFFAOYSA-N 434.385 2.331 30 10 IEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CC(F)(F)F 1705841133 OUKQUMCYDKRQTN-UHFFFAOYSA-N 445.515 2.355 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cn(C2COC2)nn1 1705847270 LOJBFROYKOMUGF-KRWDZBQOSA-N 444.540 2.183 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705899860 JGGDTBHDPKOGGG-IBGZPJMESA-N 438.454 2.172 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCCOC(F)F 1708152364 CZTMCDACQFULEM-CQSZACIVSA-N 443.462 2.279 30 10 IEEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1710704969 RVFDBMZSXYJMJW-UZLBHIALSA-N 426.512 2.301 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccnc1 1722277953 BTXBWGCKTFXZNW-KRWDZBQOSA-N 438.557 2.291 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@H]2CCS(=O)(=O)C2)c1 1722304818 INUASZVRIMPETJ-WMZOPIPTSA-N 443.573 2.283 30 10 IEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722339717 BUTSHZWWLCGPNC-UHFFFAOYSA-N 449.552 2.318 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1722367638 NGRHWKBEINXWRJ-HZPDHXFCSA-N 426.633 2.021 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1722368763 SQLUMLYAPSAKDN-MSOLQXFVSA-N 449.602 2.154 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccccc2F)CC1 1722434885 ZBHQANVVEXRQFM-UHFFFAOYSA-N 436.491 2.171 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 1722441263 JBKJPCJRHMXEAI-INIZCTEOSA-N 435.450 2.176 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722589104 KQSLEYIHCPZQOH-QGZVFWFLSA-N 437.610 2.406 30 10 IEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C)C1 1722622282 LEWIXYMIHYLAOQ-INIZCTEOSA-N 448.593 2.364 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](OC)C1 1722724114 NWBVSAHPDZQNEC-YJBOKZPZSA-N 438.525 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(C)C)C1 1722736695 FKZFEUJSOCLYCH-QYZOEREBSA-N 440.610 2.475 30 10 IEEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722743461 YWCXMHFVUUATKJ-UHFFFAOYSA-N 435.619 2.064 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)CN2CCOCC2)CCOC1 1723878920 ITXBWSONIIEBAH-WMZHIEFXSA-N 446.596 2.027 30 10 IEEE CCN(CC)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cn1 1728381487 HGHDUVNANUOLJD-RTBURBONSA-N 425.537 2.190 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1729154287 SWJKVCGNNHCSED-UHFFFAOYSA-N 436.520 2.257 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729163731 YIAYFCSSCPMGCQ-UHFFFAOYSA-N 445.483 2.300 30 10 IEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1729739517 KGEPKJKNSYQRHK-UHFFFAOYSA-N 440.451 2.065 30 10 IEEE COCCOc1ncccc1Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1730889002 YSFJKCLEMHEMRZ-LJQANCHMSA-N 434.500 2.451 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1740564051 ZOMWXUADLJNTHM-ROUUACIJSA-N 434.585 2.386 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccccc2)CC1 1740581174 RAUVSASYVXKZTL-LJQANCHMSA-N 444.605 2.014 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccccc2-n2ccnc2)n1 1740687699 JOQAYMXKMYAAQN-UHFFFAOYSA-N 430.516 2.303 30 10 IEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2nnc(CC)s2)CC1 1740698448 GGNWFSDBARCPIG-UHFFFAOYSA-N 437.573 2.117 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1740715735 FCVMJNGJZJUBKE-KRWDZBQOSA-N 441.557 2.176 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740758385 XBMBCKZKAGUWED-UYAOXDASSA-N 433.516 2.452 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CC1 1740838413 OVOWVPMMTGZKMU-SFHVURJKSA-N 426.496 2.201 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1740932204 JBSLOTONDIAFRI-FQEVSTJZSA-N 445.589 2.400 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C 1740940760 RQOJRJYPCQCITK-HSZRJFAPSA-N 440.548 2.238 30 10 IEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)cc1 1741155681 ZOMANHDFQDXWJZ-FQEVSTJZSA-N 443.548 2.282 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1743395162 MLHRFXXKUUAUGG-JOUJLLDFSA-N 427.534 2.130 30 10 IEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1743857075 BGKIBCUZOVVYEM-KRWDZBQOSA-N 425.537 2.435 30 10 IEEE C#CCN(c1nnc(C)n1CCc1coc(-c2ccc(C)cc2)n1)[C@H]1CCS(=O)(=O)C1 1748804777 LAIBTHRWFOAPTA-FQEVSTJZSA-N 439.541 2.419 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748815299 OHPQPPYEIPBNPR-KRWDZBQOSA-N 431.562 2.090 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)OC(C)(C)C 1748875746 WYWIWSHYJYXRQK-UHFFFAOYSA-N 430.553 2.184 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)c(F)c1 1748882690 BVDMYYWQYSEBLM-UHFFFAOYSA-N 447.518 2.166 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749038861 MJCNTLRDHAMXFL-GOSISDBHSA-N 443.573 2.321 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)CC=C 1749078190 GVHVUGRJBCQDPQ-JOCHJYFZSA-N 444.557 2.459 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749452144 PEELSCDHUOWOGQ-FQEVSTJZSA-N 425.581 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1749660486 QULVEXLEQBLFOM-IBGZPJMESA-N 430.516 2.366 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCOCC2(CC2)C1 1749738558 PRIZPPNOQQGJHK-UHFFFAOYSA-N 430.574 2.281 30 10 IEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749752471 QQFIFOMAZNZULB-UHFFFAOYSA-N 443.621 2.214 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(=O)NCC2CC2)cc1 1750382079 AZCFTILLUTVVBM-INIZCTEOSA-N 434.422 2.110 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCOC2)C1 1750510889 YSHWQHBIHLWZCM-FJIDUMEYSA-N 446.552 2.204 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)C1 1751271873 GFIGAJXQOUINEQ-QHCPKHFHSA-N 441.580 2.483 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)C1 1751271892 GHEDUNWIMJKBSG-QHCPKHFHSA-N 444.580 2.477 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1752271745 MDILEYAMYOJFIU-KRWDZBQOSA-N 438.532 2.069 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)CC 1760103751 LJOSEZAOQSNBQW-LLVKDONJSA-N 446.396 2.166 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760185846 FLYYKGDEBIDYKX-ROUUACIJSA-N 433.578 2.143 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760192910 PLESMOHZBBKJOC-XUVXKRRUSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1nc(C)cc1C 1760193223 WXEQOLUTTUGHJU-UHFFFAOYSA-N 441.539 2.438 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1760216689 XKXUBVGYTSEYBO-XMMPIXPASA-N 432.528 2.299 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOCC2CC2)CC1 1760269983 QZUJKYHVIFQXMQ-HXUWFJFHSA-N 429.565 2.302 30 10 IEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(N)=O)C1 1760278540 XZMHTGOHWQHJFJ-ZDUSSCGKSA-N 434.363 2.386 30 10 IEEE C#CCSCCn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760286859 XHTABUAGFMOFMT-DXIQSLLYSA-N 433.622 2.358 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCCS(C)(=O)=O 1760324952 NEKNPWWWJAEABB-UYAOXDASSA-N 433.578 2.116 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(CC)c1 1760325583 RMDYBPVXNXMGQX-RXVVDRJESA-N 427.553 2.235 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1760516438 NHXLXFQIBHNBQR-UHFFFAOYSA-N 426.565 2.425 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOC(C)C)C1 1760545579 WXJMLKIATBGZFL-KRWDZBQOSA-N 448.593 2.445 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1760564882 JTEGQJIOILYXIZ-SFHVURJKSA-N 428.562 2.181 30 10 IEEE CC(C)=CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760822167 OXJBOQZVKAEQFE-KRWDZBQOSA-N 437.552 2.149 30 10 IEEE CC(C)=CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760822168 OXJBOQZVKAEQFE-QGZVFWFLSA-N 437.552 2.149 30 10 IEEE CN(OC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1768992114 GZHOBQZOJMNEMX-KRWDZBQOSA-N 445.545 2.474 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCN2CCC(O)CC2)cc1 1770738064 DBQWTNBWJPYVFY-UHFFFAOYSA-N 449.559 2.316 30 10 IEEE C=CCn1nc(C)c(CN2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)c1C 1849480402 XEZDOXKNHDEGLD-HXUWFJFHSA-N 446.621 2.181 30 10 IEEE N#CCc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)nc1 1851601588 TZMLACUYAGVPBS-UHFFFAOYSA-N 449.902 2.416 30 10 IEEE C[S@@](=O)c1ccccc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1851787573 HNBQSDJYQQWUAT-WWOZWPLTSA-N 428.510 2.232 30 10 IEEE Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851876122 WLXLSYMPUMLZBE-OAHLLOKOSA-N 436.438 2.403 30 10 IEEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C(=O)C1 1854478508 DUUWYNJRUCTDLJ-UHFFFAOYSA-N 445.994 2.049 30 10 IEEE COc1ccc2nc(N3CCN(C[C@H]4CCC(=O)N(C(=O)CC#N)C4)CC3)sc2c1 1854677880 NHBPNSYKNOZFHM-OAHLLOKOSA-N 427.530 2.106 30 10 IEEE C[C@H](Oc1ccc(F)cc1)C(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856891488 CKINTUNJRKTXCV-AWEZNQCLSA-N 431.445 2.216 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(F)cc3Cl)C2)CC1 1857042299 VKRXFJZVNVCLMN-CYBMUJFWSA-N 427.885 2.033 30 10 IEEE C[C@H]1Cc2c(ncn2CCC(=O)N2CCN(Cc3ccc(C#N)s3)CC2=O)C[C@H]1C 1857508459 WNKDHNBZCQEAFL-CVEARBPZSA-N 425.558 2.448 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862593601 JMYOXYNARQSPST-GOSISDBHSA-N 425.397 2.015 30 10 IEEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1 1867408804 VONXADCVCOEWGV-FQEVSTJZSA-N 432.480 2.358 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1868820476 RUCSIQVEQSVUOF-ICSRJNTNSA-N 436.549 2.269 30 10 IEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1Cc1ccco1 1870543829 DWOAIIFNFUWOFQ-HXUWFJFHSA-N 441.528 2.338 30 10 IEEE C=CCN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597403 YMPHBCMAPGXCQU-HOTGVXAUSA-N 428.537 2.468 30 10 IEEE C=CCn1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c(NCCO)ncnc21 1873635812 YHDQWITURSRSQK-UHFFFAOYSA-N 427.461 2.300 30 10 IEEE CN(CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1)Cc1ccccc1 1891454596 HKTCTBMSZDTJCT-QFIPXVFZSA-N 443.544 2.230 30 10 IEEE C#CCN(C)CCCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009817221 MFVZZYOUDRLUOP-XMMPIXPASA-N 428.577 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010401647 GLTBJTQIBFUKAR-CYBMUJFWSA-N 436.343 2.024 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 2020882120 QEPVUUUTGKODNE-UHFFFAOYSA-N 439.553 2.478 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2060634525 AUMYHHRTMLTGKM-OAHLLOKOSA-N 440.321 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C[C@@H](O)C1 2060641574 KXADGJVMPKKEBH-DMRKSPOLSA-N 436.358 2.155 30 10 IEEE N#CCSC1=Nc2ccccc2C2=NC(=O)[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)N12 2087927694 RCWOJDIRCRQEAV-MRXNPFEDSA-N 447.476 2.337 30 10 IEEE C=CCn1ncc(NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c(Br)c1=O 2105972763 NYOHHAJXZFFHLZ-UHFFFAOYSA-N 425.287 2.296 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CCC 2124500058 UYQFMWCVNUTYJL-LBPRGKRZSA-N 428.331 2.374 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678299 NJPMWOWGRNYKSX-HOTGVXAUSA-N 447.341 2.201 30 10 IEEE C=C(CS(=O)(=O)N(OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962274 MGGYLCVJDSZFHB-HNNXBMFYSA-N 446.375 2.377 30 10 IEEE CC(C)(C)OC(=O)NCCC(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406510 ZCZRAFZRQQYEJD-UHFFFAOYSA-N 440.375 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NC(=O)C#CB1OC(C)(C)C(C)(C)O1)CO2 2255602957 ZHPIHMZHPVVJKO-MRXNPFEDSA-N 434.342 2.296 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 2255679083 FXFUCZZEVMIOJP-OAHLLOKOSA-N 433.358 2.311 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255814584 ZZGMSGQCPGZJFB-GJZGRUSLSA-N 432.326 2.422 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256930108 ZVJHUJXWWMLYOP-BBRMVZONSA-N 446.334 2.231 30 10 IEEE COc1ccc(CNS(=O)(=O)N(C)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2264102002 SDPHRFCAVNSWRC-UHFFFAOYSA-N 446.378 2.461 30 10 IEEE CC(C)(C)OC(=O)N1CC2(COCCN2c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266060661 CYFOUEKTPGPAMG-UHFFFAOYSA-N 449.332 2.346 30 10 IEEE Cn1ncc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267012459 UTLIKANXRXMLPO-OAHLLOKOSA-N 448.373 2.096 30 10 IEEE C[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCCN1C(=O)OC(C)(C)C 2267123521 UYNGWOXXCNBSMS-HUUCEWRRSA-N 448.373 2.237 30 10 IEEE CN(CCCCN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267165225 BZGFNDMCFUXZBP-UHFFFAOYSA-N 448.373 2.495 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 2267495187 KDUJSTTYLFGHEB-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267532665 HXEBSUFEBBJYPM-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)nn1 2267581829 WNULNDCFHDNWLB-CVEARBPZSA-N 447.345 2.168 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CO)C1 2267589908 HSTCYRIIWANUSM-GOSISDBHSA-N 446.353 2.040 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2267611681 UZYNWHWOJRCQAV-HNNXBMFYSA-N 446.357 2.151 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)cc2Cl)OC1(C)C 2267703472 WPWQQYFGOBTRLN-NSHDSACASA-N 449.787 2.084 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267875414 GMXVXDJFICKBSL-AWEZNQCLSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2268647739 QUFKVIHAZQMPKR-GOEBONIOSA-N 447.341 2.249 30 10 IEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1C 2296933613 XIBWHNFFLBYBGX-KRWDZBQOSA-N 431.514 2.463 30 10 IEEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)N[C@H](C)C(=O)O)ccc3C2=O)c1 2297471751 NFWKXZQCBKYKSC-GFCCVEGCSA-N 427.409 2.288 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2315694343 XZGBDMHMGTZGQZ-YOWGUQMCSA-N 449.382 2.285 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CC[C@H](B4OC(C)(C)C(C)(C)O4)C3)C2)C1 2319735527 XUPRVBOUBKVNBR-INIZCTEOSA-N 435.374 2.232 30 10 IEEE COc1c(Cl)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)c(OC)c1Cl 2323028673 UDWRZOFPAKGDME-UHFFFAOYSA-N 433.273 2.150 30 10 IEEE CCSc1nnc(CCOC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331271583 VLTVSFQPXAGUHO-UHFFFAOYSA-N 449.577 2.181 30 10 IEEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2337210441 ZTJKHUZDDKWYLQ-LSDHHAIUSA-N 448.373 2.237 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3)n2N)cc1 20293053 FLJYKCPTBNZHKS-SRZZPIQSSA-N 427.490 2.186 30 10 IEEE C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295063 YWFFRYJTDUOHDS-AWEZNQCLSA-N 434.468 2.170 30 10 IEEE C=CCOc1ccc(-c2nnc(CCC(=O)NCCN3CCCCC3)c(O)n2)cc1OC 34766195 LONBICKTJUGXNM-UHFFFAOYSA-N 441.532 2.352 30 10 IEEE N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C(=O)N2CCCC2)S3)cc1 65021452 KWAHUIDUBOLOFI-GOSISDBHSA-N 442.522 2.394 30 10 IEEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@H]1CC[C@H](Oc3nccnc3C#N)CC1)C(=O)C2 238920556 TUAJKNBNFPOJDO-VCAMNPENSA-N 432.546 2.353 30 10 IEEE C#CCN(C[C@H](NC)c1c(Br)cnn1CCN(C)C)C(=O)OC(C)(C)C 407299992 SVGXNXMVYKGWNB-HNNXBMFYSA-N 428.375 2.338 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ncn(Cc4cccc(F)c4)n3)C2=O)cc1 436313815 CLEASFVWUMGNBM-FQEVSTJZSA-N 447.474 2.332 30 10 IEEE C=CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3)no2)cc1 445692156 SOXFSFPLXZDVEG-UHFFFAOYSA-N 426.498 2.402 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 446636812 HILVMWVDYZBQNO-UHFFFAOYSA-N 425.468 2.104 30 10 IEEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 461326870 WJSZCFHRSVDOKF-UHFFFAOYSA-N 428.514 2.305 30 10 IEEE CCC1(CC)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 464349037 XAGGJLYNOGEHQK-SFHVURJKSA-N 432.546 2.052 30 10 IEEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@@H]1CCCO1 478759921 YSJVLKWJVRRJAC-INIZCTEOSA-N 444.553 2.337 30 10 IEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)cc1 481002493 SOSIJQIEJRVWSD-BLMTVLTRSA-N 445.589 2.147 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 486503297 BELROQGBYPFCMY-JXFKEZNVSA-N 429.484 2.300 30 10 IEEE COc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc(OC)c1OCC(N)=O 499393924 SEXCOJUSCHPGTN-CQSZACIVSA-N 448.273 2.325 30 10 IEEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)ccc1F 501993885 ZZBFXJSJDGZIRH-SFHVURJKSA-N 449.529 2.243 30 10 IEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508474865 WCBWRFZMOOECJI-HUUCEWRRSA-N 440.483 2.275 30 10 IEEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCO[C@H](C2CC2)C1 508808778 IIZBCNURNNPFFZ-NRFANRHFSA-N 436.560 2.037 30 10 IEEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)Nc2ccccc2OC)CC1 509000690 UNKSFOACWKFBNU-IBGZPJMESA-N 427.505 2.416 30 10 IEEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c1C 521285574 AKCKRKKYCNFGGV-UHFFFAOYSA-N 429.545 2.357 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 534402903 JYEIOTVMXRWXMN-KRWDZBQOSA-N 432.492 2.485 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)cc1 536089812 BAMKBHFOLWTQEI-UHFFFAOYSA-N 427.530 2.476 30 10 IEEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 558993025 IIFKSMGTGUEASB-UHFFFAOYSA-N 444.624 2.348 30 10 IEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc1 583294479 JTXAUWKVMVPPBA-UHFFFAOYSA-N 442.516 2.029 30 10 IEEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(F)c3)c2=O)cn1 588892008 JAQFXIPRIIBMOU-UHFFFAOYSA-N 435.480 2.314 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@H]1CCCO1 726178806 BAFDOUYLHJYEKT-OAHLLOKOSA-N 431.583 2.362 30 10 IEEE C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730305202 WZPNELMPPXOPLS-CJNGLKHVSA-N 438.933 2.080 30 10 IEEE COCCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717220 HNQXMMAZRXIHJO-INIZCTEOSA-N 447.492 2.239 30 10 IEEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1C#N 746988958 CFXSXQHKYMQOMN-SFHVURJKSA-N 430.482 2.381 30 10 IEEE C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnn(C)c1 750686057 CECSWNDBBPEMHG-DNVCBOLYSA-N 443.529 2.046 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3cccs3)cc2C1=O 753700454 UAOOWTFHHCSEBW-YJBOKZPZSA-N 426.494 2.495 30 10 IEEE O=C(O)C#CCNC(=O)[C@@H]1CC[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)O1 757472257 WBKPVPIVDVRQKW-AOMKIAJQSA-N 448.475 2.277 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2CC)C1 760305890 WAXANMCKOZPUPI-DOTOQJQBSA-N 431.562 2.120 30 10 IEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cnc3c(C)cccn3c2=O)n1 774269931 KKGPQFCCDQZNFX-UHFFFAOYSA-N 439.526 2.369 30 10 IEEE C#CCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc2c(c1)OCCO2 782941402 LUWHNQAGLPIION-OAHLLOKOSA-N 441.431 2.481 30 10 IEEE COC(=O)[C@@]12CCOC[C@@H]1CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@H]1CCCO1)C2 802685586 JNNHNMPTQBCAKE-YCRNBWNJSA-N 437.500 2.012 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccc(C(F)F)n1 807890241 GYDDYYWWQTVWAE-CQSZACIVSA-N 437.472 2.328 30 10 IEEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccc(F)cc2)n1 807932322 XHSDLIFMIYWENB-ZDUSSCGKSA-N 444.414 2.155 30 10 IEEE COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc2c1OCCO2 916151729 VDHZPMNUGNORHJ-UQCOIBPSSA-N 445.493 2.383 30 10 IEEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775015 HGHOHFZLPPXZGA-ZDUSSCGKSA-N 435.502 2.404 30 10 IEEE COc1ccc(CSCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] 916778291 XFHOSCZHNJOTNQ-UHFFFAOYSA-N 435.483 2.354 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)[C@H]1CCS(=O)(=O)C1 918754997 QTDODTAYYKXAOI-SFHVURJKSA-N 446.550 2.058 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2c(F)cccc2F)n1N 1084281372 JNVGOQPDBABRPB-UHFFFAOYSA-N 433.444 2.456 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CCN(C)C(=O)OC 1131402453 KADDEMMHQSUOAZ-UHFFFAOYSA-N 428.283 2.255 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 1136998323 KFDCSIYBQOFYDI-ZIAGYGMSSA-N 425.917 2.068 30 10 IEEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)cc1 1138042156 ACERGIHSYBFNJJ-LJQANCHMSA-N 426.542 2.479 30 10 IEEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)C1CCC(F)(F)CC1 1142730817 FAXBKQGAWHNUQS-UHFFFAOYSA-N 427.473 2.016 30 10 IEEE CC(C)(C)OC(=O)CCC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1146680983 LTFUMIMXHRIDAQ-UHFFFAOYSA-N 435.546 2.197 30 10 IEEE C[C@H](CC(=O)NCCc1nsc2ccccc12)/N=C1/NS(=O)(=O)c2ccccc21 1148894581 JJGOPOYJPUUJLM-CYBMUJFWSA-N 428.539 2.472 30 10 IEEE Cc1c(Cl)cnc(N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1C#N 1164281935 AHPYZCYGXHDZFC-CABCVRRESA-N 426.926 2.138 30 10 IEEE N#Cc1cccc([C@H](NC(=O)COc2nsnc2N2CCOCC2)C(F)(F)F)c1 1175355036 UUBHHMSVQHIXCT-AWEZNQCLSA-N 427.408 2.045 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 1185280065 HGNNVFKMYNXFLD-KRWDZBQOSA-N 427.954 2.441 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1195262150 YEJKFNRLOZISQQ-UHFFFAOYSA-N 447.326 2.093 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)n1 1215512574 OYJQHSZLSKLKFJ-UHFFFAOYSA-N 430.461 2.001 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cnc(OC)c(C#N)c3)CC2)cc1 1220040136 GWPXTPOBEUUIRH-UHFFFAOYSA-N 443.529 2.453 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCNC(=O)OCc3ccccc3)C2=O)cc1 1256476485 CXPXASZMSXEQQZ-HXUWFJFHSA-N 435.484 2.279 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](OC)C1CC1 1286275602 ONKFACNVKGWHFN-RHSMWYFYSA-N 430.578 2.430 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286299169 BETSXSQFTGQCLO-MJGOQNOKSA-N 431.548 2.223 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286343710 MIYVVSPWVKPFDM-UHFFFAOYSA-N 438.576 2.358 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286390441 AVPKKUQQWHLSOC-OAQYLSRUSA-N 441.601 2.384 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1286426373 SZOUPLMQUVBCJU-CJAUYULYSA-N 444.539 2.206 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286442529 CYLYEWXASIBTCI-OALUTQOASA-N 436.539 2.454 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CC(OC(C)(C)C)C2)CC1 1286469194 BLNJJGNUROAUQG-UHFFFAOYSA-N 430.597 2.155 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2CCc2ccc(OC)c(OC)c2OC)CC1 1286470038 QYZDYGUQILQTHJ-UHFFFAOYSA-N 427.549 2.425 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286755017 JWEPQOYEKJDATB-UHFFFAOYSA-N 426.546 2.450 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1286835846 ZKFWBWCBCRLKAI-MRXNPFEDSA-N 431.562 2.452 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286964498 BNCGOCUQBNPNKB-NVXWUHKLSA-N 443.552 2.392 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCCNC(=O)C(C)C)n1 1290626503 ZMBNIQORPJJDSF-UHFFFAOYSA-N 426.569 2.432 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCCO1 1291279887 WVJHZFHAXJMFDK-APWZRJJASA-N 438.532 2.259 30 10 IEEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1298086767 FMYOFMJIICZZNO-UHFFFAOYSA-N 446.559 2.117 30 10 IEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C 1299684635 GEHMGZVMCKVNQQ-RTBURBONSA-N 431.562 2.359 30 10 IEEE CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1300031653 BQIAXVXLDUGTNH-OAHLLOKOSA-N 428.514 2.250 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)CN(C)C)c1 1300332809 OVEYICXVWPYXHM-UHFFFAOYSA-N 448.575 2.323 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1300638681 UJOZYITTZFWUOM-IBGZPJMESA-N 427.530 2.156 30 10 IEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1300848188 BLVFCCOTPYZWJE-LSDHHAIUSA-N 426.359 2.432 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1300884279 IOCJOQBCYNBRIK-LMMKCTJWSA-N 449.577 2.403 30 10 IEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C)c1ccccc1 1301003150 DZWUOYVGWMXZMA-HBFSDRIKSA-N 444.605 2.275 30 10 IEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301259992 RTFYAFMRAMCKGA-KRWDZBQOSA-N 439.607 2.240 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1301497735 CAAKYCSZIVYVQA-UHFFFAOYSA-N 436.560 2.129 30 10 IEEE C=CCOc1ccccc1Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCS(=O)(=O)C1 1301535595 MGHVBUOENVNTDP-MRXNPFEDSA-N 428.518 2.270 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301546152 PNDRDJFERCGXRH-MJGOQNOKSA-N 427.530 2.033 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1301578552 DIRUXZVDSPWDKH-ROUUACIJSA-N 446.577 2.120 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCCO[C@@H](C)C1 1301593225 KISXZJVXCLMLBO-INIZCTEOSA-N 438.525 2.212 30 10 IEEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c2ccccc21 1301656687 HQEMXCYSLCFPQC-VWLOTQADSA-N 432.524 2.282 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1302248851 YEOFYZPLWIIEEL-FPOVZHCZSA-N 440.548 2.379 30 10 IEEE CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1302533999 FUTUCUFQBAJQIJ-QGZVFWFLSA-N 439.589 2.464 30 10 IEEE N#C[C@@]12CN(Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@H]1CS(=O)(=O)C2 1308101397 XMUGMIYGAFYQKY-KSSFIOAISA-N 433.331 2.276 30 10 IEEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1)[C@@H]1CCCO1 1310988285 YIEKKNKTGBUWHT-YOEHRIQHSA-N 435.322 2.030 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1315087562 GBPCGMIHRQFYHV-OAQYLSRUSA-N 427.530 2.074 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315818452 ZWDXJRNGDKTFGR-AEFFLSMTSA-N 436.495 2.306 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315818455 ZWDXJRNGDKTFGR-WMZOPIPTSA-N 436.495 2.306 30 10 IEEE N#Cc1ccc(OC2CN(S(=O)(=O)c3ccccc3S(=O)(=O)C(F)(F)F)C2)cc1 1322566595 AWWVUUBRJBRCNY-UHFFFAOYSA-N 446.428 2.304 30 10 IEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1354404487 NIZWEHDTYWITNM-QGZVFWFLSA-N 427.592 2.052 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1358871136 AGMALHSRRFZUAD-HZPDHXFCSA-N 448.568 2.134 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H]1C 1358885332 HXWWPHWLKVGBIW-DLBZAZTESA-N 429.594 2.180 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cccc(C)n1 1358976415 DKVQYMLCHYVWOF-UHFFFAOYSA-N 437.507 2.211 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1359024575 PYWIPRRTMCAXGD-LPHOPBHVSA-N 433.503 2.449 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc3[nH]ccc3c2)CC1 1359030632 ZSEYYJVILXGIKZ-LJQANCHMSA-N 436.560 2.481 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1359040998 LIZOLPNMJNBOKS-UHFFFAOYSA-N 446.596 2.408 30 10 IEEE C=C(C)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359124868 HRHYBPCKWAYMOA-QHCPKHFHSA-N 437.548 2.488 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359297850 FAFHZVUBAQZCOL-NRFANRHFSA-N 431.544 2.353 30 10 IEEE Cc1cc(C#N)c(O)nc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1444744905 VGIOXFQJPBQITB-UHFFFAOYSA-N 434.543 2.176 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1457010205 LVASAEOQAYVDCU-UHFFFAOYSA-N 449.573 2.033 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN(C(=O)CC#N)CC2)n(Cc2ccc(F)cc2)c1C 1460122617 HWMVENKWQRIAMC-UHFFFAOYSA-N 436.491 2.160 30 10 IEEE N#C[C@@]1(C(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)CCCOC1 1467528115 KIVOPTZTCPDQPJ-IBGZPJMESA-N 430.306 2.294 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1471764968 UWMUHOKRZQYNCL-UHFFFAOYSA-N 431.562 2.054 30 10 IEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1501156970 IRHICOYSTRGQMW-UHFFFAOYSA-N 425.537 2.084 30 10 IEEE CCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503211173 QGQCOKBVYOBVAO-UHFFFAOYSA-N 438.561 2.264 30 10 IEEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1503217747 BDCMHDUTKDDBJL-IBGZPJMESA-N 446.502 2.399 30 10 IEEE CN(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1503388614 ZQNQWDWWKBVINF-JCGIZDLHSA-N 432.475 2.439 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@H](C)C1 1507578139 VBQFCAUMTSGHGT-GOSISDBHSA-N 444.605 2.139 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN1c2ccccc2C[C@H]1C 1507673555 VVYBCRXYEVGTSB-HXUWFJFHSA-N 430.556 2.315 30 10 IEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507745526 ZNWHOLRBROHQDY-WFASDCNBSA-N 449.378 2.117 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1507798137 RSOOFFAYWAKPDD-HOJAQTOUSA-N 437.610 2.399 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ncn(C)n2)CC1 1507894662 JDFDTNXXWYLJJP-UHFFFAOYSA-N 440.939 2.441 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1507984655 ZLMKLUVEFQIWDC-IEBWSBKVSA-N 449.577 2.009 30 10 IEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1nnc2n1CCCCC2 1508040308 VZUQYHRJXLHULO-GOSISDBHSA-N 429.569 2.372 30 10 IEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCC[C@H]1C 1508040715 YEVYMJBTIYQDSU-SJLPKXTDSA-N 448.593 2.302 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1508146113 UIVOIPJZHOXXEX-UHFFFAOYSA-N 437.610 2.107 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1509795406 ZJVAZVJJQHZFJV-ZRCGQRJVSA-N 448.612 2.414 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OC)c1 1518051052 GRPKQBABNIXION-LJQANCHMSA-N 436.472 2.143 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn2cccc(Br)c12 1519179967 RRRIIAMZRGCPDW-GFCCVEGCSA-N 426.278 2.109 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOc1ccc(F)cc1 1519448303 GTBLNDZOACEXOJ-VDGAXYAQSA-N 445.495 2.339 30 10 IEEE COc1ccc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1S(C)(=O)=O 1528052163 NQQRLSNNHNSINA-CQSZACIVSA-N 434.470 2.119 30 10 IEEE CCO[C@@H]1C[C@](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)(C(=O)OC)C1(C)C 1538803467 RIPUPJSCKHHDBH-ZSDSOXJFSA-N 425.526 2.437 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1539015442 QFUSFGCEYOXEAM-FUHWJXTLSA-N 443.573 2.425 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC(=O)N(C)C)c1 1539046570 WXGBMMZVKMSGMR-UHFFFAOYSA-N 436.541 2.075 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1539178746 KASJZNWEEYSJMI-MRXNPFEDSA-N 431.537 2.037 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539211201 JDGWDLAFKRJJBA-ZDUSSCGKSA-N 428.436 2.143 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ccc(C)cc1 1539296626 RYDAWTGDZNYQEB-RBUKOAKNSA-N 427.574 2.463 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1539369662 NXPLHBUWTCGWLV-HXUWFJFHSA-N 425.533 2.361 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1539392619 SDOVPYWEFQCVLE-JTSKRJEESA-N 446.548 2.120 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 1539967288 PTMKDEPMRSSSLX-ULQDDVLXSA-N 443.639 2.298 30 10 IEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1540047519 JLGFMAAAZQYFNQ-SCLBCKFNSA-N 427.958 2.072 30 10 IEEE CO[C@H](Cc1ccccc1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1554611128 BNCUDMSKNLNEFX-WOJBJXKFSA-N 443.573 2.178 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CCO1 1555406087 OOOHXTUOWVKILP-FQEVSTJZSA-N 434.456 2.093 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(-c2nc[nH]n2)cc1 1555727241 DLXIKIJUUQSXDB-SNRMKQJTSA-N 436.520 2.431 30 10 IEEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)N[C@H](C#N)C2CC2)c1=O 1565655362 LSVMCKPEUQCHCE-CQSZACIVSA-N 439.310 2.167 30 10 IEEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCc2cccc(C#N)c2)c1 1586612265 JCUBAVCTDFZIGO-UHFFFAOYSA-N 435.933 2.451 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589481736 BYQDPMBRCKPIRJ-AEFFLSMTSA-N 425.599 2.243 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1593740714 DCRFARLTDPWSRY-CVEARBPZSA-N 432.550 2.165 30 10 IEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1)c1ccccc1 1593789789 RVCLZYIVRMKCON-FQEVSTJZSA-N 443.573 2.481 30 10 IEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1594803603 ZEZRYZKOGRRTDU-CTNGQTDRSA-N 426.565 2.480 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 1596610534 RPAAWTHBMPUOFR-UHFFFAOYSA-N 441.553 2.348 30 10 IEEE Cc1nc(-c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)[C@@H](C)CC#N)cc2)n[nH]1 1612385126 VZKLPRLZIJQAGG-HNNXBMFYSA-N 433.520 2.394 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1613132312 OADDCZMGVQOOOK-OBZTUIKSSA-N 441.532 2.238 30 10 IEEE CC[C@@H](C)c1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613248610 YQVVUULNHYKKPU-BSBNDGSWSA-N 429.569 2.285 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCC(C)C)CCO1 1618693636 LUKLHSMBUULKNY-SFHVURJKSA-N 428.562 2.157 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCCOC(F)(F)F)c1 1620348817 ICNSFJRVZDGBON-HNNXBMFYSA-N 436.394 2.384 30 10 IEEE C[C@@H]1OCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1C(F)(F)F 1620448810 VPXRPEDTADIFGL-YJLNNSPDSA-N 428.430 2.186 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)s1 1621282562 QIZFDXDPYPWPLB-OAHLLOKOSA-N 441.962 2.141 30 10 IEEE C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@H]1CN(C)CCO1 1622416319 OWWBNZWTZCASKZ-CWFSZBLJSA-N 428.533 2.228 30 10 IEEE C#CCOc1ccc(CNC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)cc1 1624399023 KRJSTOSMBOPHNX-PILAGYSTSA-N 434.414 2.300 30 10 IEEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 1630291370 NGIGNRGQVVZWIQ-FPOVZHCZSA-N 427.526 2.318 30 10 IEEE C#CCCOc1ccc(C(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1633136983 ZQRKGVRPGUQAGG-UHFFFAOYSA-N 425.489 2.402 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(Nc4cccc(C#N)c4)C3)CC2)cc1 1634255761 YHRZXDRNQFSRHO-UHFFFAOYSA-N 449.536 2.154 30 10 IEEE N#Cc1c(CCCNC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)nn(-c2ccccc2)c1N 1638402098 FTJCSRQHBZXXIY-UXHICEINSA-N 439.589 2.138 30 10 IEEE COc1cc(OCCN(C)C)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1639162800 CPUHFTMZMRFCJD-UHFFFAOYSA-N 435.477 2.324 30 10 IEEE C=CC1(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1643029125 NYNGFGXSAFVCAR-HZPDHXFCSA-N 439.553 2.286 30 10 IEEE CCOC(=O)[C@@H](CC=C(C)C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1650654417 ZYXVKSGAASZADU-QZTJIDSGSA-N 426.473 2.167 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)OC)c1 1651014298 AUEGCUNNDCJHQC-NRFANRHFSA-N 434.489 2.194 30 10 IEEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1658966035 DPHLQAITCJKIDB-UXHICEINSA-N 429.498 2.379 30 10 IEEE N#Cc1cc(F)c(S(=O)(=O)N2CCn3c(nnc3C(F)F)C2)cc1Br 1664348715 FKVUGQOMKJEGNU-UHFFFAOYSA-N 436.213 2.193 30 10 IEEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 1676949462 BBQZBBFHQHKFSF-MRXNPFEDSA-N 441.557 2.496 30 10 IEEE C=CCOc1ccccc1CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1678917263 YXIVRXSJMCOMEX-UHFFFAOYSA-N 444.557 2.191 30 10 IEEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1680495743 ZRLAFDHUUXHZAB-QFBILLFUSA-N 431.500 2.338 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1689862824 HEHNDOANAWXKFA-LPHOPBHVSA-N 427.530 2.154 30 10 IEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1689916506 LYDMDAQSIQJIHS-HKUYNNGSSA-N 427.574 2.435 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689980636 VLGJUOYQYWHVMI-FQEVSTJZSA-N 447.580 2.299 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1690073748 FPKQLIYKUBGPTK-UHFFFAOYSA-N 429.484 2.109 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCN2CC)CC1 1690142583 RAEWRIGLCDXKGZ-HXUWFJFHSA-N 435.576 2.180 30 10 IEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1690159662 INBKQEYXJJJHEQ-UHFFFAOYSA-N 427.530 2.399 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1690399145 OODYPPVGIVLGDX-HSZRJFAPSA-N 440.548 2.263 30 10 IEEE C=CCCCn1c(N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1690495676 FGJGSOWAWPLBCN-KRWDZBQOSA-N 427.615 2.419 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690507783 WSMHTKXEHIVDES-FQEVSTJZSA-N 440.548 2.157 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690565518 LQOOSAZGOBIEBL-VQTJNVASSA-N 445.589 2.256 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1690592555 BCCZARZJJKQCPS-SSEXGKCCSA-N 426.546 2.139 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1690603947 LHPKCTIXMJOLDX-FQEVSTJZSA-N 439.560 2.299 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690664347 PSXFVYAJFSZBFG-CVEARBPZSA-N 433.578 2.068 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccnc(OCC(F)(F)F)c1 1690993237 HBOKAGANVPZXGA-CYBMUJFWSA-N 439.442 2.397 30 10 IEEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1NC(=O)CC1(C)C 1691158021 JUYCODRKGQRRHC-QGZVFWFLSA-N 437.548 2.316 30 10 IEEE CC(C)(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(C)(=O)=O 1691188412 UAHKUMNRZQRDMD-MSOLQXFVSA-N 430.578 2.159 30 10 IEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1693869151 ZMFPLUOLJFEIBQ-YCRPNKLZSA-N 426.546 2.149 30 10 IEEE CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1695805186 BYYQTSUVVLRAPK-MKRGEVTBSA-N 429.569 2.021 30 10 IEEE CCOCc1nnc(N2CC=C(C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696267023 UGXXVODGKQXFTC-WUKNDPDISA-N 440.426 2.040 30 10 IEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC)nc2)cc1 1697407485 GDMFVVLQFAZFOA-FQEVSTJZSA-N 434.500 2.253 30 10 IEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1697748074 FSFCJAWPMLRZBA-FUHWJXTLSA-N 426.521 2.103 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN(C)CC(F)(F)F 1698238907 ONNAXLGJYACLHE-HOTGVXAUSA-N 430.475 2.236 30 10 IEEE C#CCN(c1nnc(C)n1C[C@@H]1CCCc2cc(OC)ccc21)[C@H]1CCS(=O)(=O)C1 1705561627 RXSUTEUTNHFAAS-OALUTQOASA-N 428.558 2.342 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1705644244 JSQYDYCFGILSRW-ZWKOTPCHSA-N 429.565 2.301 30 10 IEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705819733 SRTNHAIDMPLQMS-QFBILLFUSA-N 447.561 2.227 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705859042 FYYJIGVITOFYES-SFHVURJKSA-N 426.546 2.306 30 10 IEEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCC(=O)N(C)C 1706630363 ARSMKFYWSQIMDU-MOPGFXCFSA-N 437.548 2.028 30 10 IEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1710862207 GZUHUFVMGMFADA-HNNXBMFYSA-N 428.518 2.036 30 10 IEEE CNC(=O)c1cccc(CCn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)c1 1711329610 YPGFWQPAWRNSSL-AOMKIAJQSA-N 444.511 2.046 30 10 IEEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1712882048 UFZUQCHRFMHHBT-UHFFFAOYSA-N 448.453 2.306 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1722295287 SHGQHTBRCSUBMQ-IRXDYDNUSA-N 428.541 2.142 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1722296854 VTYSTTWADPAIRX-YQVWRLOYSA-N 427.574 2.089 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(CN2CCCC2=O)cc1 1722428371 VFXUOLZZDGEIGZ-OAQYLSRUSA-N 437.544 2.386 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC)CC1 1722443899 PANJAPPXOJUPCB-UHFFFAOYSA-N 449.353 2.038 30 10 IEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722453787 CFRAGNJDBNIYJX-UHFFFAOYSA-N 439.994 2.373 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1722537662 QEQGZEQIBMRDLD-HXUWFJFHSA-N 441.532 2.442 30 10 IEEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722589376 QPSPPJDVAXKUGB-UHFFFAOYSA-N 448.593 2.473 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1722620872 SOEXWXRQQFGMOD-UHFFFAOYSA-N 428.537 2.041 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1CC 1722661205 WTUJSAUMGBJIDM-UHFFFAOYSA-N 426.550 2.428 30 10 IEEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722674440 GAHWIYLMGXRKOU-QGZVFWFLSA-N 436.607 2.236 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2ccccc2)C1 1722690000 CLPDONMIHIWVLV-LJQANCHMSA-N 445.527 2.297 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(COc2ccccc2)CC1 1722697536 LFHCDMLDLBNCDH-UHFFFAOYSA-N 433.516 2.333 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)C(C)(C)C)C1 1722721781 LXKHEIUTAJLYOJ-GOSISDBHSA-N 433.578 2.259 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1722861936 FAQMCZJKQBXTGK-SNVBAGLBSA-N 434.277 2.014 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1723879653 RJLQDICYLXNTAK-IERDGZPVSA-N 443.483 2.264 30 10 IEEE CCCN1CC[C@@H](Cn2c(COCC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1728133705 GDINYJOTJKXGJP-HXUWFJFHSA-N 438.580 2.140 30 10 IEEE CCN1CCN(CCCCn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1728631497 OSKKRLHGQVPVAQ-JOCHJYFZSA-N 426.544 2.200 30 10 IEEE CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1729613754 FZOBNSMYIYQNIV-UHFFFAOYSA-N 437.592 2.443 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCN(CC)S(C)(=O)=O 1740556937 GTKSBEBQPLXLPI-GOSISDBHSA-N 442.589 2.411 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1740561467 ANPLBGFVZJZFEA-BRSBDYLESA-N 437.610 2.079 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740595880 LTKNINFNEAUAFG-LJQANCHMSA-N 433.472 2.412 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(CC)CC 1740611207 WVUITLRCSXQQIY-SFHVURJKSA-N 434.585 2.388 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1740615887 NCZYTPLUUBVELF-VQTJNVASSA-N 444.601 2.460 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1CCN(CC(F)(F)F)CC1 1740683901 QXPKZIBLSHGOIH-UHFFFAOYSA-N 437.470 2.095 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCSC2)n1 1740689000 NNIJWAWXTKLIGD-PKOBYXMFSA-N 430.578 2.365 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)CN2CCCC2)CC1 1740698863 NZMWESOKHLPDBQ-UHFFFAOYSA-N 438.624 2.017 30 10 IEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCS(=O)(=O)CC1 1740795785 DDEOXIGGCVHTBF-UHFFFAOYSA-N 429.546 2.109 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740992266 DCCCYEOUMZEMFV-UHFFFAOYSA-N 437.610 2.060 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCOC1 1741798680 DESDZFOWQSXQBB-CVEARBPZSA-N 431.566 2.403 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CC1 1748649308 MWBFFEQQEDQOQO-KRWDZBQOSA-N 425.533 2.285 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1748656266 PFSADYPKPKGBKM-JLTOFOAXSA-N 448.365 2.241 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2ccn(C)n2)c1 1748694270 CUBZRPFHAZEOHG-UHFFFAOYSA-N 440.511 2.102 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1748824954 UTVOZWHNVHGQAA-IRXDYDNUSA-N 436.603 2.382 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1749009601 KQNIWBBRMYGHIZ-PWRODBHTSA-N 441.576 2.119 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1749285637 RNMPDWAPCDQHNK-UHFFFAOYSA-N 428.512 2.450 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N(C)C)CC1 1749286379 JQSUNGXEIGJZGJ-CVEARBPZSA-N 438.623 2.409 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749646751 YRJDMEYRXXQLRO-NLWGTHIKSA-N 432.613 2.419 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(F)(F)CO2)C1 1750378788 MKQJGHRLDQGDQR-SJCJKPOMSA-N 440.451 2.136 30 10 IEEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1750504709 JMDXHLZHDQABCE-KRWDZBQOSA-N 439.520 2.043 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1750750662 XNYNDUORHUPSSF-HSZRJFAPSA-N 439.539 2.292 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1760095997 DHAMYSMFXIGKBE-MSOLQXFVSA-N 443.573 2.430 30 10 IEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1760139220 VLEDJTXCPCASFD-DLBZAZTESA-N 448.568 2.090 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1760171318 ADACIGAXXJSPMN-XHDOVSQSSA-N 435.594 2.373 30 10 IEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760181326 SIKRLABCSYOVBK-DOTOQJQBSA-N 434.587 2.332 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1760182316 IFIGMZYSYYMIOS-IBGZPJMESA-N 444.601 2.478 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760234436 NQGAADVFPHERQG-OAQYLSRUSA-N 436.560 2.328 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2ccnn2)CC1 1760263542 GAIRWMRIXUTKED-UHFFFAOYSA-N 436.589 2.316 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOCC1 1760324309 JMLFCVLDNUNKBU-RBBKRZOGSA-N 426.565 2.014 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760431388 NVOWHYIJPNDIFL-OALUTQOASA-N 439.564 2.439 30 10 IEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C)C1 1760450726 QRNNPAPZEXNCKO-GOSISDBHSA-N 427.553 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)OC)C1 1760539667 SHOMMWWKWYGTRL-SJLPKXTDSA-N 449.577 2.012 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](COC)C1 1760556663 LQINNAWEUMZDAX-KRWDZBQOSA-N 436.553 2.472 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC)[C@H](C)C1 1760556985 WEZZNUGERKPGJL-LJQANCHMSA-N 431.606 2.309 30 10 IEEE CC(C)OCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1761320385 IWDTZSVKXOWPLX-LJQANCHMSA-N 425.537 2.190 30 10 IEEE CCc1ccc([C@@H]2CN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CCO2)cc1 1762616069 VYOQXGDJDGFIMC-VSRNGQBXSA-N 436.516 2.253 30 10 IEEE CC[C@H](C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)OC 1763436650 HBJBZLYLTJSLLD-ZOBUZTSGSA-N 426.587 2.079 30 10 IEEE COC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1767980732 CXRJQRKAPGJTAM-UHFFFAOYSA-N 432.532 2.282 30 10 IEEE CO[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1768027180 BSEGRQMXDIXKFV-LJQANCHMSA-N 431.544 2.493 30 10 IEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C[C@H](C)O1 1769521683 OFVBBKMYLDDPGZ-HRQSHJORSA-N 441.532 2.394 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1CC1 1770044347 MDUYLMPYVJASBA-DLBZAZTESA-N 440.552 2.179 30 10 IEEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1C#N 1851416495 DXBUMVAEKQELJC-KGLIPLIRSA-N 425.411 2.005 30 10 IEEE N#Cc1cnc(C(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)c(Cl)c1 1851884063 LDNLNWFSBPCBHE-UHFFFAOYSA-N 434.681 2.362 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CCC(=O)N3Cc3ccccc3Cl)CO2)nc1 1853303963 VGUWQOSZCXADNZ-SJLPKXTDSA-N 426.860 2.461 30 10 IEEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1854591406 YFFLBAMTJGSZLS-UXHICEINSA-N 431.558 2.031 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H](F)CC3CC4(CCC4)C3)C(=O)O2)CC1 1856671492 DYCLRAQWARQODH-IAGOWNOFSA-N 441.525 2.208 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862682489 PRSDEIHOTBOIEP-FQEVSTJZSA-N 440.427 2.311 30 10 IEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004820 MSUQSJMVQBAABO-KRWDZBQOSA-N 445.545 2.006 30 10 IEEE C=CCOc1cn(CCOCCO)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870387297 YARQRFOXRRQMGA-UHFFFAOYSA-N 447.963 2.398 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C(=O)OC)cc1 1874501104 QEHIBTFSEWTBMY-AWQFTUOYSA-N 446.514 2.281 30 10 IEEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cs1 1890731780 KOWRQZKXWPBWLI-CYBMUJFWSA-N 426.489 2.169 30 10 IEEE N#CC1CCN(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3F)cc2)CC1 1891060771 POBRLERQFCQQEK-UHFFFAOYSA-N 444.532 2.270 30 10 IEEE COc1cc(C(=O)N2CCC(COc3nccnc3C#N)CC2)c([N+](=O)[O-])cc1OC 1891970886 VJIGHYRLKHMNOH-UHFFFAOYSA-N 427.417 2.205 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2010227990 WELUUEPTVRIWNI-BRWVUGGUSA-N 439.553 2.027 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2010245511 CIBPNIJYQNSJKL-CVEARBPZSA-N 439.553 2.170 30 10 IEEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(F)(F)F 2010507413 GOBJDKHJYBLQHT-BBRMVZONSA-N 436.356 2.222 30 10 IEEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC#C[Si](C)(C)C 2074672074 WZGNCIBYSRRGGR-MRXNPFEDSA-N 425.579 2.440 30 10 IEEE Cn1ncc([C@H](C#Cc2ccccc2Br)NN)c1I 2227468952 BWFBTLSEBVVLDP-LBPRGKRZSA-N 431.075 2.343 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N[C@H](CS)C(=O)O 2229110914 GTPGCIMOUQRFQP-CHWSQXEVSA-N 447.351 2.384 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)C#CBr)C1 2242032839 DWFGXRBKPKQTEC-UHFFFAOYSA-N 446.342 2.315 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)C1 2244008146 VPUQCGNGMOJGEF-OAHLLOKOSA-N 427.542 2.334 30 10 IEEE C=C(CS(=O)(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2250705768 RSRUHHSKAUKHJB-QRWLVFNGSA-N 442.387 2.350 30 10 IEEE CC(C)(C)OC(=O)NCC1(COc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)COC1 2254752980 YOOGNVBLXJLUHT-UHFFFAOYSA-N 438.305 2.440 30 10 IEEE Cc1cnc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255610291 YKJCKKWPIRGYDY-MDZDMXLPSA-N 431.342 2.500 30 10 IEEE COc1cc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2255628959 PDHSKUDBPGBWPY-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE Cn1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c(=NC(=O)OC(C)(C)C)[nH]1 2256678446 NNMNVUQBUXGDCX-UHFFFAOYSA-N 449.342 2.197 30 10 IEEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267008923 KGSRHVVLZMTOAE-KDURUIRLSA-N 436.365 2.208 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2267093001 ZKMISBBXYPGVJV-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2267143844 NSCRLGMXNXCBHG-SQWLQELKSA-N 446.357 2.084 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2267222075 WAKBGORSWWCJQY-MSOLQXFVSA-N 446.353 2.004 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@H]2C1 2267282385 BZAVSNRKXMWGLC-HOCLYGCPSA-N 448.325 2.039 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C1CN(C(=O)OC(C)(C)C)C1 2267527949 ORYTZMSVFZUKGB-UHFFFAOYSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2C1 2267593306 KFXLEIPVUIUREL-IAGOWNOFSA-N 443.353 2.320 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267595716 JNKMIWWIECPDMQ-QHCPKHFHSA-N 446.353 2.088 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2267608110 DIZPLJPNWDVQHQ-UHFFFAOYSA-N 446.357 2.247 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268653475 NMSPMBLEDKVDIA-KSSFIOAISA-N 446.353 2.102 30 10 IEEE C[C@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268713740 BDHAJVHLRRUGMR-RDJZCZTQSA-N 448.369 2.296 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271395975 VEOOZPKITPGUAQ-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)[C@H](O)C#Cc1ccc(Br)cc1 2278792866 FUEYGHDQDXWIEG-JKSUJKDBSA-N 446.363 2.490 30 10 IEEE CCc1nn(C)c(C(=O)NCc2ccn(Cc3ccccc3)n2)c1B1OC(C)(C)C(C)(C)O1 2281984824 HZUSGDIGVJGDID-UHFFFAOYSA-N 449.364 2.457 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 2315391259 ZMANYSJXFXWDAM-IRXDYDNUSA-N 433.358 2.471 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCNC(=O)OC(C)(C)C)n1C 2315635855 OPJCGSKXBXIFGL-UHFFFAOYSA-N 436.362 2.062 30 10 IEEE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2319258910 QOSRUYRNQWNJTJ-HNNXBMFYSA-N 427.310 2.143 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334270257 RPMPSVPQKIEMNH-INMHGKMJSA-N 443.353 2.427 30 10 IEEE C=C1OC(=O)O[C@]1(C)ON1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1 3644678 ZBDVTPRXALZLIJ-OAQYLSRUSA-N 447.419 2.309 30 10 IEEE COC(=O)c1cccc(N/C(=N\C(=O)c2ccc(F)cc2)NCCN2CCOCC2)c1 46134474 WXBVYGDXVCVYML-UHFFFAOYSA-N 428.464 2.142 30 10 IEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3O)n2)cc1 58997763 RUEJUCMBRRNIME-SSDVNMTOSA-N 442.501 2.382 30 10 IEEE N#Cc1c(NC(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)sc2c1CCCCC2 97024867 NYGAOQICECNEJS-MRXNPFEDSA-N 430.574 2.398 30 10 IEEE CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 229756947 UFLBLSHMDVNUDM-PTJDSBPESA-N 432.571 2.400 30 10 IEEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] 301619312 DHLSXQFFYCRTRA-UHFFFAOYSA-N 441.391 2.391 30 10 IEEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NC1CCC(Oc2ncccc2C#N)CC1 438595376 AVDDSHSGSAQDIY-UHFFFAOYSA-N 444.495 2.456 30 10 IEEE N#CC1CCC(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 441132168 CNAACARETMTWCK-OFLPRAFFSA-N 434.518 2.442 30 10 IEEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461285963 VASLRFIIYHXFDO-RCDICMHDSA-N 435.488 2.214 30 10 IEEE N#Cc1ccc(OCCNC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 465807618 HNGMLJHEKFUHCQ-UHFFFAOYSA-N 442.541 2.337 30 10 IEEE COc1cc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1F 469260340 VXUWCTBURCXOMF-UHFFFAOYSA-N 432.433 2.465 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)cc1 480373596 XNRGOCRLAQHXMA-IRXDYDNUSA-N 439.534 2.068 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 481289926 TVRXXNKMRFTCDD-CQSZACIVSA-N 442.472 2.378 30 10 IEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 499042920 HPDZORZBXPULMY-DYXWJJEUSA-N 429.590 2.174 30 10 IEEE CCOC(=O)c1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc(S(C)(=O)=O)c1 503407512 PVCKMMCTZCACIE-FQEVSTJZSA-N 438.502 2.467 30 10 IEEE Cc1ccccc1CN1CCCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 506888053 BODHVBCTWFZCLO-UHFFFAOYSA-N 432.572 2.118 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508707711 WZFULBJQUNPCTB-KRWDZBQOSA-N 427.530 2.286 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@H](C(=O)C3CC3)C1)CCCC2 514220908 CWUMMVPRRBBDTM-UWJYYQICSA-N 440.544 2.036 30 10 IEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C 514648507 DEMREBQXEKAYTK-UHFFFAOYSA-N 447.560 2.172 30 10 IEEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 517662564 ZVODMISBFYPAPT-LJQANCHMSA-N 436.537 2.317 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccco1 522720428 LMSUXAIFBUTVLS-IBGZPJMESA-N 429.546 2.499 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)cc2C1=O 530800822 FHKKMSFWWXMBQS-QGZVFWFLSA-N 425.391 2.282 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc([C@H]3CCCO3)s2)CC1 534061156 SXLMGYVZJNVBDP-OAHLLOKOSA-N 432.527 2.013 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCc2cn3ccccc3n2)n1 541152040 OPMVEYTVCHGSSJ-UHFFFAOYSA-N 433.859 2.342 30 10 IEEE Cc1noc(CN2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)n1 543883950 GVNUDTGKOVXHMI-UHFFFAOYSA-N 426.868 2.439 30 10 IEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 579176698 OLOBJZHOMJPTCX-QGZVFWFLSA-N 437.953 2.013 30 10 IEEE N#Cc1cccnc1OC1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 585246341 SOZITXLVXBNLHR-AWEZNQCLSA-N 441.285 2.358 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 610926549 OIPJPEZHKXWOAA-NRFANRHFSA-N 426.542 2.073 30 10 IEEE CS(=O)(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 619818573 AXCBVXHVGHILLK-HXUWFJFHSA-N 436.541 2.383 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1-c1ccc(F)cc1 728557655 OVTSEMQOXOWWQK-UHFFFAOYSA-N 431.427 2.390 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)c1 730143331 AFFNHRISBVPIQS-IBGZPJMESA-N 439.541 2.164 30 10 IEEE N#C[C@H]1CN(Cn2nc(N3CCCCC3)n(C[C@H]3CCCO3)c2=S)CCN1C1CC1 732672120 DDZNSAONLIXXNP-RBUKOAKNSA-N 431.610 2.213 30 10 IEEE Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732702534 WCYHIMJLCBWICT-INIZCTEOSA-N 434.338 2.468 30 10 IEEE O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)NCCO)s1 750890565 NBGHFXUAXCRBCJ-UHFFFAOYSA-N 433.429 2.246 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCS2)C1=O 757371300 NMANKGVLYZQQRV-AEFFLSMTSA-N 445.614 2.453 30 10 IEEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758079872 TVPRCFYOFGYRFN-UHFFFAOYSA-N 425.579 2.027 30 10 IEEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cc1C 766406364 PTNMPNAKVOLLMU-LJQANCHMSA-N 440.573 2.293 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 772679903 QAGLMDVEHZOQBN-HTXNQAPBSA-N 434.374 2.432 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 772728465 GZQFOUVHXBQWIW-LINNUKDLSA-N 434.500 2.185 30 10 IEEE C#CCN(C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 774032539 MZUFVCJPWWWABX-OAHLLOKOSA-N 425.938 2.476 30 10 IEEE C#CCN(C(=O)NCC1(c2ccccc2Br)CC1)[C@H]1CCS(=O)(=O)C1 774226741 MQYZXCKQJPCJER-AWEZNQCLSA-N 425.348 2.313 30 10 IEEE COc1cc(OC)c(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c(OC)c1 778762692 HDDQXUNTZNKJRW-LJQANCHMSA-N 448.497 2.493 30 10 IEEE C[C@H](CC(=O)NCCc1cc(F)c(F)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 780013280 ROYXTELYHKMHLZ-LLVKDONJSA-N 425.432 2.280 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1OC 783548127 ZWKQIFINFPJGQG-UHOSZYNNSA-N 434.558 2.186 30 10 IEEE CCc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1Cc1ccc(F)cc1 786266021 GNKFDOMMUQTHJP-UHFFFAOYSA-N 427.461 2.159 30 10 IEEE COc1ccc(CNC(=O)C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1C#N 787854673 KZEBZMPMHLOGFB-CYBMUJFWSA-N 427.457 2.086 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)n1 788627976 UJWPYBJOXVQRNN-UHFFFAOYSA-N 427.505 2.297 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)n1 788813326 DQPJUOBEVHDNGQ-UHFFFAOYSA-N 436.516 2.481 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 788821117 XDWZWXJLIDEQBI-UHFFFAOYSA-N 429.420 2.099 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)n1 788904159 HHCYVEQBYDLMKS-HXUWFJFHSA-N 439.560 2.095 30 10 IEEE C[C@H](C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)n1cnc(C#N)n1 798360742 XYPCJZMCYNZLFH-CHWSQXEVSA-N 428.518 2.199 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cccnn2)CC1 800787635 JUKQTMFAWJYQPF-UHFFFAOYSA-N 434.504 2.007 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1F 914467013 HJKUEHIFGTVDQQ-ZDUSSCGKSA-N 440.518 2.185 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 916179693 PCTNXLQGCMXSTB-SFHVURJKSA-N 426.498 2.448 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1 1128961567 BTGWDOHXMBHXKK-UHFFFAOYSA-N 441.509 2.431 30 10 IEEE N#CC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCCCC1 1131110894 MEJYLRHOUIFRQO-MRXNPFEDSA-N 431.514 2.214 30 10 IEEE N#C[C@@]12CN(C(=O)CCSc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1134276438 WWWUSSMZNMOAPW-LRDDRELGSA-N 429.361 2.328 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 1141464010 WIJLFUQMROYKEG-WCBMZHEXSA-N 430.246 2.200 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1 1154157553 DEYWFALVSDNMHG-ZKDVCIDWSA-N 430.958 2.088 30 10 IEEE O=C(c1cnn2c(=O)cc[nH]c12)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807520 PYEOYFNFQOPPKU-YUMQZZPRSA-N 430.255 2.266 30 10 IEEE Cn1c(=O)n(C)c2cc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c(O)cc21 1160468544 MMMGHWPAZXNYRA-CYBMUJFWSA-N 431.493 2.498 30 10 IEEE N#Cc1csc(CNC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 1179371993 SHHAZWLUQCLYHQ-UHFFFAOYSA-N 432.449 2.408 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCN=c1c([N+](=O)[O-])c[nH]c2cc(Br)ccc12 1185281400 IAYWCCPGZCWROR-WUKNDPDISA-N 432.234 2.266 30 10 IEEE COC(=O)C1=NO[C@]2(CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)C2)C1 1197086505 HFBXEIPJKRBEGS-JOCHJYFZSA-N 427.505 2.424 30 10 IEEE O=C(NC[C@@H]1CCCS1(=O)=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1228370987 RJEHATUDXSKCDS-XHNCKOQMSA-N 444.344 2.376 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1286294676 FFUOHNFIFZKTOO-IPMKNSEASA-N 446.596 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1286463880 VQICCMWOPDEZMX-IBGZPJMESA-N 432.546 2.007 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1286479931 JDDHRNACLFGJGA-UXHICEINSA-N 439.560 2.403 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1286767394 QWGSZKGTAZWVLI-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE C=CCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H](Cc1ccccc1)C(=O)OCC 1296419649 BFXFIINJWCJXBP-QGZVFWFLSA-N 436.555 2.127 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1300273331 QFQPNNAFKFWRGY-ZIAGYGMSSA-N 431.518 2.149 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(Cl)nc1 1300439489 DRMLRWYOWFKCHS-UHFFFAOYSA-N 444.948 2.362 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1300458424 PGAOSNWVDORGEV-YVHKJVDXSA-N 433.553 2.002 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300498368 JNEMHOJHXSIXDL-YJBOKZPZSA-N 436.578 2.386 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1300504705 QVSFYIJZFCWJHT-QGZVFWFLSA-N 444.488 2.264 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2cn[nH]c2)CC1 1300731645 REDVHKRXUJSIFV-UHFFFAOYSA-N 447.543 2.097 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1300801690 BTHCJOWLKCLWRE-PGRDOPGGSA-N 443.573 2.054 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1301272357 GJJCUTZOAPSKOS-OAHLLOKOSA-N 436.557 2.298 30 10 IEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1302013158 BKJQXCWITXYNAR-RTBURBONSA-N 449.559 2.226 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1302842687 STZLSYXJZRPVMT-FHLIZLRMSA-N 444.923 2.015 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)n1Cc1ccc(C#N)o1 1305412933 RIEVRAZLCNFPNS-CSODHUTKSA-N 439.564 2.293 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1306785412 QFXYTZDKHRJDJO-IBGZPJMESA-N 434.552 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)[C@@H]2C1 1306893685 ZROLDKFPHRYVKE-QGTPRVQTSA-N 443.500 2.394 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)cn1 1312442324 HOCGFAGEHNDWLG-IBGZPJMESA-N 442.882 2.383 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1358871914 LXVXOBJOXXTUNR-CVEARBPZSA-N 428.562 2.460 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2C)CC1 1359024349 LHSOOLJNHVJYLX-IBGZPJMESA-N 442.585 2.306 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1359070711 SJCZLQHWNYNEFB-XMSQKQJNSA-N 433.622 2.294 30 10 IEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1359198104 ICKRPFACEKYYCE-UHFFFAOYSA-N 445.593 2.229 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCN(C)C1 1359257003 WZPVSFRTQIPOFT-RUZDIDTESA-N 443.555 2.395 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnn1 1359270181 FCMLLRVXEOOQNZ-UHFFFAOYSA-N 431.504 2.052 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359294183 NJADYOXSAYKXPS-NVXWUHKLSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1359301794 LFTJDEWSJUTKHC-HNNXBMFYSA-N 427.402 2.078 30 10 IEEE C=CCn1cc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)cc2n1 1439618980 YNZXECXOPGMTKE-UHFFFAOYSA-N 442.545 2.304 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(S(=O)(=O)CC)c2)s1 1443840292 QGQZKDDJWCHTEN-UHFFFAOYSA-N 428.557 2.187 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](c3ccc(Cl)c(F)c3)c3nn[nH]n3)CC2=O)cc1 1447439187 ASIPLGGMUPDIEG-FZKQIMNGSA-N 439.838 2.123 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2Br)cc1 1451417317 WJNPIJCGVAUWOV-KRWDZBQOSA-N 439.331 2.377 30 10 IEEE COc1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)NC1CC1 1453776421 SPMCYBBFXXPRAC-UHFFFAOYSA-N 440.525 2.422 30 10 IEEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 1458616506 BXCFRNPZQHMLMC-INIZCTEOSA-N 440.930 2.153 30 10 IEEE C[C@](O)(CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1Cl 1460824725 RBOCYOSWMCDORW-UVBJJODRSA-N 433.755 2.180 30 10 IEEE N#Cc1ccc(CN2CCCN(S(=O)(=O)C[C@@H]3COc4ccccc4O3)CC2)cc1 1462757211 IFEPHBZEPKPMRD-FQEVSTJZSA-N 427.526 2.236 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)c1OC 1464938487 FPZFFDBRFJTHOR-OAHLLOKOSA-N 430.461 2.150 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c1 1467840434 CDNVXCJYBMKKDR-UHFFFAOYSA-N 439.415 2.490 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)c1 1471746689 SVZJPDXJXGYMIC-SFHVURJKSA-N 429.498 2.248 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 1475775948 IBYVKSOWFJXXPQ-NJAFHUGGSA-N 435.546 2.421 30 10 IEEE C[C@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C)N1CC(F)(F)F 1478403428 KFQALWQWYFAZQI-LJISPDSOSA-N 433.475 2.412 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)CCS2(=O)=O 1479527298 SVXYKTGMYAEYGJ-GSVIPDFHSA-N 447.557 2.377 30 10 IEEE Cc1cccc(C)c1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1492492560 CNSRJYJZFXIBDZ-DYESRHJHSA-N 447.536 2.318 30 10 IEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1504488637 CLLJGOZJPBPLEI-PMACEKPBSA-N 427.505 2.149 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCN(CC)CC1 1507522873 YHJNRFHIGBOQJY-QZTJIDSGSA-N 425.537 2.337 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507552870 AEPCDFOKYWQVFC-UHFFFAOYSA-N 435.532 2.178 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1507668735 BWNLBWLTMVCQCN-HXUWFJFHSA-N 438.553 2.016 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](OC)[C@H](C)CC)CC1 1507739250 CYFYTGHLPOLIIK-NQIIRXRSSA-N 438.576 2.291 30 10 IEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507965584 TYLLGQDTHZPOPX-HNNXBMFYSA-N 433.459 2.381 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](CO)O1 1507997696 DRJSHVTWOVQCNE-VQTJNVASSA-N 436.516 2.476 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)[C@@H]1CC 1508103176 FREVCYYUSDQMIQ-OALUTQOASA-N 425.533 2.500 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)C[C@@H]1CC 1508139622 HZNMBCYZKYAEKA-CABCVRRESA-N 435.550 2.231 30 10 IEEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1513481649 LSZJXVNQTDPRAL-NMLBUPMWSA-N 443.573 2.349 30 10 IEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1csc(C)c1 1516586155 HDGZXKWDVDENRA-UHFFFAOYSA-N 440.577 2.473 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1521128469 CYMMVDRLIDXLOU-OAHLLOKOSA-N 445.405 2.453 30 10 IEEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1526174560 CCZFMTGNSOYNEW-GFCCVEGCSA-N 440.447 2.464 30 10 IEEE CCn1c(CCC(=O)N(CC#N)c2ccccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 1530819960 JICITGWATGKVCM-UHFFFAOYSA-N 440.529 2.191 30 10 IEEE Cn1nccc1[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)OC(C)(C)C 1531282287 USBUTJPXRLNWHQ-SFHVURJKSA-N 446.529 2.310 30 10 IEEE N#Cc1ccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)cc1F 1536227569 CYEVDMLTDVUMOB-UHFFFAOYSA-N 448.199 2.208 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1538972019 JCEKFNSCOWNQKL-BSRJHKFKSA-N 427.549 2.341 30 10 IEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1539132578 NLZIQLJLAIHNDJ-UHFFFAOYSA-N 440.523 2.288 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539221093 NPEDGJSPPJTAEP-RBUKOAKNSA-N 445.589 2.458 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(N(C)C)CCSC2)CC1 1539467008 LONDMYYHLWOTCC-JTSKRJEESA-N 432.638 2.195 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1539625109 ZCPWUKMNJNXDDM-CTNGQTDRSA-N 425.533 2.221 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(C)(=O)=O 1539635975 IPBUTJRPFMADKT-YJBOKZPZSA-N 439.607 2.096 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(NC(C)=O)cc2)CC1 1539827927 BVQZRGWQELNHIL-MRXNPFEDSA-N 446.577 2.246 30 10 IEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@@](=O)CC)CC1 1539884045 BSZGEGJUHBJCRD-HKBQPEDESA-N 440.573 2.363 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1541800710 FQYJSKYZKKLVSJ-OAHLLOKOSA-N 445.545 2.422 30 10 IEEE Cc1ccc(C(=O)NCCn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)cc1 1542247930 CHORGTMNFMNVGA-KRWDZBQOSA-N 434.548 2.474 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1542348742 NHYZNAPOQFWHOM-RCCFBDPRSA-N 438.569 2.353 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 1542648350 ZIFWXILFRDEYQE-FQEVSTJZSA-N 442.560 2.278 30 10 IEEE Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543122066 PLDFGEWYBWHLRQ-UHFFFAOYSA-N 432.433 2.061 30 10 IEEE C[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1544204631 QWXUOZRKGSXTCT-AOMYARPXSA-N 437.460 2.368 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@@H](C(F)(F)F)O1 1544754065 BXZOTPQRLIOAIX-GUYCJALGSA-N 448.449 2.499 30 10 IEEE C[C@H]1N(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1545139397 PAYIANXAFMPIAK-MEUCICPISA-N 428.537 2.466 30 10 IEEE Cc1ccc(C(=O)NCc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)NCC#N 1557244241 XYMUTTOSWAVMMF-UHFFFAOYSA-N 427.511 2.245 30 10 IEEE COc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N1CCCCC1 1560060392 MADFXHQMXIZBHP-FUHWJXTLSA-N 434.562 2.432 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1568507356 BRCZMHLRZGZNRU-JXQFQVJHSA-N 438.528 2.422 30 10 IEEE COc1c(F)cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(OC)c1F 1583148026 ZIFPEFGKNNSNEA-UHFFFAOYSA-N 425.413 2.426 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3c(Br)nc4n3CCOC4)CC2)c(F)c1 1584347914 LUZBGAODIHZWGV-UHFFFAOYSA-N 434.269 2.149 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)n[nH]2)c1C 1584436987 ALPYHSQUIMWZGF-HSZRJFAPSA-N 447.499 2.061 30 10 IEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1587879036 NHPYKFQDWYYPFU-FQEVSTJZSA-N 445.589 2.405 30 10 IEEE C=C(C)CCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1587882202 ZUFYIEABPSHAMN-UHFFFAOYSA-N 448.589 2.482 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([S@@](C)=O)CCC1 1588093314 JLEGMEMBNHUBJR-AREMUKBSSA-N 434.363 2.410 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1594532788 DZGMGBMIIOTBKW-FIKGOQFSSA-N 434.558 2.459 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)C1 1595737970 JTPRCICWJNHYKD-QXAKKESOSA-N 433.578 2.467 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1596840059 AWFPKKJJNLNFPR-WMZOPIPTSA-N 441.561 2.080 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 1596985952 YEVAANVIQHERFE-NNMXDRDESA-N 449.559 2.478 30 10 IEEE CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1598520714 HBUZOUVJRCXIHY-JTQLQIEISA-N 425.322 2.111 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1611285819 AEAMFPMKNORZNY-INIZCTEOSA-N 438.536 2.394 30 10 IEEE C[C@@H]1CCCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)C1 1612803656 LVDOPZPWBVHPCB-QRVBRYPASA-N 436.626 2.431 30 10 IEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1617313280 GXQCPXAOSGLXBH-HXUWFJFHSA-N 442.589 2.316 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1OC 1619210883 LSHINAXFEVMAOV-LSDHHAIUSA-N 435.431 2.115 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1(C)C 1619514979 AKKPULYRHUSEGZ-LJQANCHMSA-N 431.500 2.220 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cc(C)cc(C)c1 1620024139 DRDGGHURXIRERF-AZUAARDMSA-N 429.521 2.427 30 10 IEEE N#CCc1ccccc1S(=O)(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 1621726784 FYWYFRZIPBXTOW-UHFFFAOYSA-N 433.555 2.406 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 1628661736 ACNZLZJNQIVZDF-MRXNPFEDSA-N 442.324 2.335 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)C2)C1 1635125534 FOJOUEBBUWXMOQ-LIOMIIBUSA-N 447.576 2.457 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1635630399 KCLJWHVXIICPMT-HOTGVXAUSA-N 435.525 2.478 30 10 IEEE COCCNC(=O)CSc1ccccc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1636714224 QNFWZBRBSSECAL-UHFFFAOYSA-N 430.555 2.255 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC)cc2C(=O)OCC)cc1 1637350981 KVPJMPFGFDUYGU-UHFFFAOYSA-N 430.482 2.426 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 1639023102 FJXCXVDXFCOTKC-AWEZNQCLSA-N 446.495 2.100 30 10 IEEE C#CCN(C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CSC1 1640234102 ZQNGZZXOGYZBHM-JOCHJYFZSA-N 436.533 2.463 30 10 IEEE Cc1ccccc1COc1cccc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1640636478 HXLCXSGVUWERIQ-UHFFFAOYSA-N 430.464 2.334 30 10 IEEE CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)COC1 1641897059 WTBVCTYVFFRUCI-OAHLLOKOSA-N 440.541 2.374 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C1(CO)CCC1 1643776776 BNLXHUFASGEFIV-UZLBHIALSA-N 427.526 2.245 30 10 IEEE COC(=O)[C@@]1(C)C[C@@H](OC)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1644113070 SMNXAOSYWIEGMO-VGOFRKELSA-N 428.489 2.209 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1649537965 JAWODERYBTUKBJ-FDDCHVKYSA-N 435.532 2.406 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@](C)(CO)Cn3cnc4ccccc43)ccc2c1=O 1653668883 ZTHYQOHXQBSZSS-HSZRJFAPSA-N 449.536 2.402 30 10 IEEE COc1ccc(-c2csc(NC(=O)[C@@H](C)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1654974509 DJEUOYPPAYJURE-IAMHBRQHSA-N 446.554 2.016 30 10 IEEE C#C[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)C1 1658029452 VHJNWSCPJJMKAX-SFHVURJKSA-N 448.589 2.431 30 10 IEEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1659403866 DVALIUFXBBLGBU-QIJUGHKUSA-N 430.508 2.439 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)CC2)cc1 1665863931 CQBBLQPHYDBOON-UHFFFAOYSA-N 425.514 2.452 30 10 IEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccc(Cl)cc1F 1674035514 AZLMIZSJTDVSNU-SFHVURJKSA-N 445.944 2.235 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689979564 DAMCXKRSSDUZBS-KRWDZBQOSA-N 434.537 2.419 30 10 IEEE C#CCN(c1nnc(CC)n1Cc1oc2ccccc2c1OC)[C@H]1CCS(=O)(=O)C1 1689992440 KXLNLZZFIFJAJN-HNNXBMFYSA-N 428.514 2.270 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689994300 VUMUIJPLQUOGGM-HXUWFJFHSA-N 442.585 2.133 30 10 IEEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690093490 AMBAMKHPEWACBG-OAQYLSRUSA-N 425.577 2.277 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1cccc(C(=O)NC)c1 1690194118 ZLRAQEZHNGLMKN-UZUQRXQVSA-N 425.533 2.402 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCOc1ccc(S(C)(=O)=O)cc1 1690214276 CVOBAYGRACHVIW-OAQYLSRUSA-N 432.546 2.289 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1690246754 WUWUQDLSDUIQTK-WIRSXHRWSA-N 433.578 2.291 30 10 IEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690327068 IWPUKDBOUDZEIR-SJORKVTESA-N 445.955 2.225 30 10 IEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690334439 OXGYVWGJMHKMND-UHFFFAOYSA-N 440.913 2.124 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(F)c2)C1 1690710644 VICIXVITZDEARW-KRWDZBQOSA-N 429.496 2.378 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1690714532 OBCMWJBTRDBJCF-IEBWSBKVSA-N 445.589 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](COC)C1 1690724234 KRNUQUIZJKDHBE-QZTJIDSGSA-N 426.583 2.373 30 10 IEEE Cc1ccc(N(C)c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1693105565 YZRYODXYEOTATC-CZIZESTLSA-N 437.504 2.019 30 10 IEEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)C(=O)OC(C)(C)C 1694697528 CNSYXIYKAHLBLO-UHFFFAOYSA-N 427.509 2.242 30 10 IEEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1698006194 OVFIYMMJQFOSNO-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCOCC1 1705479944 MSDQBSHGNAPIKT-CVEARBPZSA-N 449.397 2.472 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1705511491 WMKLAUFQHVXQHW-IBGZPJMESA-N 425.533 2.287 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)COC 1705580895 SGLLCRSMRWEZJI-GOSISDBHSA-N 432.528 2.420 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1 1705598879 RXLAFVZEXJACGV-UHFFFAOYSA-N 427.549 2.380 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1705598905 SFDBKRYOYZTWNA-OAQYLSRUSA-N 445.633 2.299 30 10 IEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705616247 ZUVIJOORSFIXQA-KRWDZBQOSA-N 440.573 2.091 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705657326 AQMQZJBRETXVBQ-IBGZPJMESA-N 441.601 2.479 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705658114 DUGKKKBQMKDEMM-UHFFFAOYSA-N 449.584 2.432 30 10 IEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1)c1ccccc1 1705742608 ARSPFQPJVPWFOH-ICSRJNTNSA-N 429.590 2.424 30 10 IEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1705818190 CFWNYFHTHRGGMJ-QHCPKHFHSA-N 435.532 2.343 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)c1=O 1710190015 GNUHTQBSSOULER-DEOSSOPVSA-N 445.527 2.009 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1711480654 OLSYZPOFCWSKTC-UHFFFAOYSA-N 440.435 2.398 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)c1ccco1 1712525687 QNFSEIMJYMINDZ-INIZCTEOSA-N 430.509 2.155 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(OC)c1 1712560760 AIDNCLLLZKPYNQ-FXAWDEMLSA-N 440.548 2.236 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)on1 1722277942 KDENVVGXVSWIJD-CYBMUJFWSA-N 427.534 2.349 30 10 IEEE C#CCCCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722338348 IOHGJENZCVSPJZ-QHCPKHFHSA-N 429.565 2.182 30 10 IEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722340054 LOEIHMNPNBXHDV-UHFFFAOYSA-N 432.528 2.489 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccn(CC)c1=O 1722342940 DKWKEUYABDXEIK-UHFFFAOYSA-N 429.322 2.345 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC1CCCC1 1722346271 VPOLFVCDQFRQQU-INIZCTEOSA-N 431.562 2.327 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1722397689 USERQXLLROVUKM-GOSISDBHSA-N 430.961 2.420 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1722465967 HJBAISFAERJTSU-XMMPIXPASA-N 436.560 2.293 30 10 IEEE C=C(C)Cn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1722553588 UGYMLWGUDIKWGT-KKSFZXQISA-N 431.541 2.081 30 10 IEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1722583264 NGHCNECXVQAGKG-ORYQWCPZSA-N 437.610 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)C1 1722713669 ITSOAGRYSSEOLF-HOTGVXAUSA-N 432.912 2.138 30 10 IEEE C=CCSCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1722738846 ANUUXYGUPNRZCW-UTKZUKDTSA-N 435.594 2.051 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1724279704 FYGQKRHJWPSZDM-LAUBAEHRSA-N 429.546 2.071 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)cc1C 1724393359 OYTISOAVZXDRET-INIZCTEOSA-N 447.499 2.327 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)OC 1726845697 HHTXDFVDCMETFO-VQIMIIECSA-N 425.537 2.339 30 10 IEEE CN(CCCc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1729514073 FSAFOBUMZXDLLF-HXUWFJFHSA-N 445.527 2.471 30 10 IEEE COCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730923895 PWJFWCBOESHOSJ-KRWDZBQOSA-N 430.940 2.438 30 10 IEEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1731037138 FLTHSFMVSOFMCQ-OAHLLOKOSA-N 436.545 2.155 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1740716125 MLUHLAROCAFKQH-RBUKOAKNSA-N 436.541 2.045 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740767913 RXSQEYYXUIZJMK-DENIHFKCSA-N 437.548 2.389 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740994063 IHTKGZOEYONGSX-UHFFFAOYSA-N 434.484 2.179 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccc(C(F)F)n2)cs1 1742591892 KKBNPDMQCWTIQQ-ZDUSSCGKSA-N 432.460 2.139 30 10 IEEE CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1746819884 AWZFOUDVQGGZCY-MRXNPFEDSA-N 446.577 2.465 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1749023672 UITKAYPAUFDFFH-CRAIPNDOSA-N 449.602 2.302 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1749458152 ZHUWDTDGUJAROM-SJLPKXTDSA-N 444.511 2.404 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1750564827 MSTNNSQCQZJXFS-DEOSSOPVSA-N 449.559 2.036 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760185400 WUBOPEMVTNTUFJ-JLAWEPINSA-N 445.589 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)CN1CCOCC1 1760198805 JISCZELTGBCNGI-LJQANCHMSA-N 437.544 2.003 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(C(C)(C)C)n1 1760248456 MOJFOMGNAKOMOU-MRXNPFEDSA-N 430.578 2.312 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCOC[C@H]1OC 1760251351 YDFUPPOMJXMOHN-IFMALSPDSA-N 437.544 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC1 1760265206 RKHIQLGSBQAZPL-UHFFFAOYSA-N 449.559 2.311 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1760272148 AGYKFCGWIVJOEX-IEBWSBKVSA-N 430.622 2.236 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1760329714 ILISPJWHSHWFSM-JOCHJYFZSA-N 428.537 2.263 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCOC2)C1 1760550101 SACYUNGOCJKPFR-WMZHIEFXSA-N 428.533 2.407 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1760802779 GBTPXQKFPQQOCH-HXUWFJFHSA-N 430.509 2.472 30 10 IEEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)C(C)(C)C 1760917357 IWEHRBFFQIDMSL-UHFFFAOYSA-N 432.550 2.150 30 10 IEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1763266339 DRAHTGWNJQRGAY-GOPGUHFVSA-N 439.289 2.018 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(F)(F)CO1 1768663586 VUSXUIBSUDYECA-KRWDZBQOSA-N 430.459 2.333 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1770282455 STHJXZVHXPZPCE-SFTDATJTSA-N 431.468 2.113 30 10 IEEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC[C@@H]2CCOC2)CCO1 1771539090 NGFGXFDBVNOILM-PXNSSMCTSA-N 445.495 2.168 30 10 IEEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cn2c1 1851231470 GZMKELANPAWRBJ-UHFFFAOYSA-N 429.889 2.006 30 10 IEEE CCOC(F)(F)[C@@H](C(C)C)N(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856796441 KGICGDATEVOFRM-GOSISDBHSA-N 443.472 2.290 30 10 IEEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1=O 1857485927 TWXDTRDJGZSCDY-ZWKOTPCHSA-N 439.965 2.129 30 10 IEEE COc1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866785 KQQLHZRCXCDNCC-OALUTQOASA-N 442.541 2.149 30 10 IEEE C[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc(C#N)c1 1866894110 NIYFTQNLLIWSGV-KRWDZBQOSA-N 445.523 2.374 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)nc1C 1872720319 XZMLMKVTWLQKNT-UHFFFAOYSA-N 439.515 2.062 30 10 IEEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCCCC3)ncnc21 1873596225 NDVJKRULQMUZDQ-UHFFFAOYSA-N 428.518 2.033 30 10 IEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(NCCCN3CCOCC3)ncnc21 1875230003 KLDXHCQFYMKCAR-ROUUACIJSA-N 442.564 2.001 30 10 IEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)CC1 1889641643 KVLOUHITIPSRQT-UHFFFAOYSA-N 439.535 2.088 30 10 IEEE CC1([C@@](N)(C#N)Cn2cnc(I)c2I)CC1 1990181110 JTODDGCLXOHRFK-SNVBAGLBSA-N 442.042 2.113 30 10 IEEE C[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)N1CC(NC(=O)OC(C)(C)C)C1 2068019977 BHPIENPOIXSZJE-FVQBIDKESA-N 435.374 2.134 30 10 IEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124532021 ICRJYHRXXUWCGZ-SFHVURJKSA-N 448.369 2.184 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124532410 KAAKIMPCQSRECF-VVLHAWIVSA-N 446.357 2.396 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227484191 RECATXXMKGMNLN-YJBOKZPZSA-N 444.347 2.244 30 10 IEEE Cc1c(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534616 JTXWTNFWJSOARY-ZIAGYGMSSA-N 436.362 2.059 30 10 IEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255704780 MKPAPPMCXUHCAW-NWDGAFQWSA-N 430.232 2.250 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1(C)C 2255825572 BTPCMRJKXIQZIL-KBPBESRZSA-N 434.346 2.131 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831752 ARGOBXOOBYKRII-AWEZNQCLSA-N 434.346 2.180 30 10 IEEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256625817 BZCJIYUONAHZAU-IAGOWNOFSA-N 436.358 2.400 30 10 IEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2256925054 YUBVOAXXZICVIX-RDTXWAMCSA-N 429.278 2.367 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(Cc2ccccc2)C1 2267161935 JAWNKZLGSMZPNH-HKUYNNGSSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2267266900 GKGULYROUOWGLB-OAHLLOKOSA-N 446.357 2.294 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267519516 HREGMGSTOJNJMM-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2267538689 WLECWPHASBOCDA-MRXNPFEDSA-N 446.357 2.199 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267597421 VAYGOMKGIDMHDQ-YXJHDRRASA-N 443.353 2.366 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267806274 VDILEGLUBGVTFT-SKDZVZGDSA-N 444.337 2.429 30 10 IEEE COc1ccc2c(c1)C(=C1SC(=NS(=O)(=O)c3ccc(C)cc3)NC1=O)C(=O)N2 2293653500 XBRLFNIZPHAVPU-UHFFFAOYSA-N 429.479 2.275 30 10 IEEE CC[C@@H](C)N1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 2297464016 ZVGIFTBMAZNHPQ-GFCCVEGCSA-N 432.571 2.402 30 10 IEEE COc1cc([N+](=O)[O-])cc(C=NNS(=O)(=O)c2ccc(Br)cc2)c1O 2323352808 XENIQKOOFJCRRV-UHFFFAOYSA-N 430.236 2.384 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2337283516 PUZYIPVUWGJNFI-AWEZNQCLSA-N 448.373 2.109 30 10 IEEE C#CCn1ncc(NCCCOC2CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2362307374 REGRDXLTVRFVMD-UHFFFAOYSA-N 441.326 2.077 30 10 IEEE COc1cccc([C@@H]2c3c(nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1OC 72444800 ATOUFGYSAQVUJX-CXUGXGMPSA-N 437.500 2.493 30 10 IEEE O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H](c2cccnc2)/C1=C(/O)c1ccc(Cl)cc1 102691364 ZJQUMZQFHQLJBN-HZASFTGDSA-N 432.885 2.344 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CC1 108206044 QZVNKEFGFAKALM-UHFFFAOYSA-N 447.539 2.310 30 10 IEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481985813 ZCDATSKDGAUKCY-HIFRSBDPSA-N 427.551 2.140 30 10 IEEE Cc1nc(S(=O)(=O)N2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)cn1C 483520844 UHFUBCMZEWTFRL-UHFFFAOYSA-N 426.464 2.105 30 10 IEEE CN(C(=O)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1)C1CCCCC1 506198095 FMCDNRXZWGAYLC-HSZRJFAPSA-N 434.581 2.183 30 10 IEEE CN1C(=O)C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 508506507 SHEIFOBAJDHROR-RXVVDRJESA-N 445.928 2.215 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCc2nc(-c3ccccn3)no2)cc1 523673784 JBIYCYOKQQOUQM-QGZVFWFLSA-N 434.481 2.476 30 10 IEEE CCN1CCN(C2=C(Sc3nc(C)cc(C)n3)C(=O)N(c3ccccc3C#N)C2=O)CC1 526699564 JKEWVTZWPCPYNC-UHFFFAOYSA-N 448.552 2.480 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H]1c1ccc(Cl)cc1 544854046 JSZZHTWGWFVXRT-NQIIRXRSSA-N 438.919 2.410 30 10 IEEE COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 544888181 HZLJDGSXMBETDI-UHFFFAOYSA-N 425.445 2.111 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)CC2)n1 545515549 GVPNKNJAYCUZSG-UHFFFAOYSA-N 436.491 2.229 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@@H](CC)C1 555289955 MMASKEPKYYMHMF-KRWDZBQOSA-N 432.594 2.393 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)CC2)o1 582329952 SSSMWPVUCADKHN-GHTZIAJQSA-N 442.951 2.192 30 10 IEEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670201251 SGAKMFLCNYXITL-FQEVSTJZSA-N 449.559 2.280 30 10 IEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC(C)C)cc1 727417099 DQKAIMRPTYJTIA-UHFFFAOYSA-N 437.521 2.307 30 10 IEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732649454 WELQGZWSZJPCLE-GOSISDBHSA-N 446.573 2.072 30 10 IEEE C#Cc1ccc(C(=O)NCc2ccccc2N2CCN(C(=O)c3ccc(C#C)nc3)CC2)cn1 733981908 OTYGMLHBICDKAM-UHFFFAOYSA-N 449.514 2.332 30 10 IEEE CCNC(=O)COc1ccc(CNC(=O)NCc2ccc(OC)c(C#N)c2)cc1OC 746710511 MHWYFPSNSZEIMU-UHFFFAOYSA-N 426.473 2.090 30 10 IEEE COc1ccc(CNC(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1C#N 747430136 HONAYRADWJUSAE-UHFFFAOYSA-N 438.484 2.252 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C1CC(F)(F)C1 757911119 ZWAKFURNHPYHQK-INIZCTEOSA-N 440.516 2.492 30 10 IEEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(C)OCCO2)cc1 758865328 NPSBWKVIIYAHAH-SFHVURJKSA-N 448.589 2.148 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCC2CCS(=O)(=O)CC2)C1=O 768421223 LHJBHWKVXHQZNA-QGZVFWFLSA-N 437.587 2.278 30 10 IEEE C#CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1 775404913 QXBHYVFYNLFIAK-CMYVBNMBSA-N 437.565 2.486 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCc3ccc(C#N)c(F)c3)CC2)cc1 791391913 POMWEBVLQUQQLU-UHFFFAOYSA-N 431.489 2.056 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cnn(C)c1 803108918 JOQIYDXGMIRZDR-QGZVFWFLSA-N 436.476 2.419 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccnc(C(F)(F)F)c2)cc1 808496225 GPTADDIJDBJRBD-UHFFFAOYSA-N 441.387 2.332 30 10 IEEE CCc1noc(C[C@@]2(O)CCCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)n1 856707443 QEQISPCVIDDUKM-QHCPKHFHSA-N 439.516 2.255 30 10 IEEE NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccccc2F)CC1 1084047207 YDNLKSPKMGYOAA-UHFFFAOYSA-N 449.464 2.066 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](C[C@@H]3CCCO3)C(F)(F)F)C2=O)cc1 1130475156 ISMYJCYAWCDYBY-ARFHVFGLSA-N 438.406 2.379 30 10 IEEE C=CC1(CC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1136503850 DAKKVQJDDXEIHV-UHFFFAOYSA-N 445.564 2.202 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCN(C(=O)C3CC3)CC2)C1 1141330657 YAQKUXGFVOVDMT-UHFFFAOYSA-N 431.334 2.274 30 10 IEEE CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N[C@@H]3CCCN(O)C3=O)s2)CC1 1141463752 RTFBISCMQPMTES-CQSZACIVSA-N 438.550 2.443 30 10 IEEE CC1(C)Cc2c(Br)cccc2[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1141481915 GUSBNAMXPGGYCS-MRXNPFEDSA-N 431.290 2.413 30 10 IEEE CC(C)C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1142686718 HJGWTODQTAVRHI-RDJZCZTQSA-N 437.562 2.345 30 10 IEEE C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1150671555 HNBMRENGCJHCNZ-KDOFPFPSSA-N 435.546 2.332 30 10 IEEE Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cc1C 1156591243 CCKGTYWOBHWPCV-RBBKRZOGSA-N 430.508 2.445 30 10 IEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)c1ccc(Br)cc1 1159634936 UVQKVMXRYBNUNO-GOSISDBHSA-N 449.326 2.248 30 10 IEEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H]1C1CC1 1164061511 OCWPIOTZDLIKNE-QFVOUXCSSA-N 431.533 2.431 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 1164524404 YFRZQPUOKFQJAI-OAQYLSRUSA-N 447.944 2.279 30 10 IEEE Cn1cc(-c2nc3n(c2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCCC3)cn1 1180095078 OKXWDCIICVQUJI-UHFFFAOYSA-N 442.476 2.309 30 10 IEEE C#CC[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1202309960 MIXZEAJROOQMSF-QGZVFWFLSA-N 434.562 2.041 30 10 IEEE N#Cc1cn(C2CN(C(=O)NCc3cc(Cl)cc(Br)c3)C2)c(=O)nc1O 1251944244 RYOLRYQSAJBCIE-UHFFFAOYSA-N 438.669 2.003 30 10 IEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286348640 ZBSNXUJXPAJTCU-SFHVURJKSA-N 435.553 2.477 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN(C)c1ccccc1 1286408827 FQFZVGDFBRMZNR-HXUWFJFHSA-N 439.585 2.170 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286446108 DORDFNWXJUFBLU-GJZGRUSLSA-N 433.603 2.269 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1286515371 IOBJOHXDJIFQBK-QGZVFWFLSA-N 440.367 2.463 30 10 IEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286618729 GMPDUAUFLPDZPW-GDBMZVCRSA-N 449.342 2.329 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286624330 AURRJJJSTSECTD-LJQANCHMSA-N 439.951 2.312 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCNS(=O)(=O)CC)CC1 1286649516 PDRQQSHRAODYLI-UHFFFAOYSA-N 437.541 2.482 30 10 IEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286675790 SYFIMQBQEFAPQU-FQEVSTJZSA-N 443.640 2.219 30 10 IEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286708704 XLYUCCQAXZJIKG-UHFFFAOYSA-N 442.564 2.184 30 10 IEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)[C@H]1CC 1286711067 HLLCCSFLROLBIS-HXUWFJFHSA-N 435.532 2.438 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1286717626 DMQYBCQPQDINNC-CQSZACIVSA-N 436.534 2.028 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1286746021 MWTADMJSOAMDLT-LDLUVENISA-N 448.614 2.284 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286788976 LULHIIOUKBGZBE-KRWDZBQOSA-N 437.523 2.113 30 10 IEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CCO1 1286941005 JXUDCEGEDVBJTK-IBGZPJMESA-N 440.891 2.453 30 10 IEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC#N 1288704337 ABJQHYNLRMDZAZ-ROUUACIJSA-N 440.548 2.423 30 10 IEEE Cc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)c(C)n1-c1ccccc1 1289361505 XWKXHZFFNATHFM-LJQANCHMSA-N 433.516 2.170 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)n1 1290627776 IAOBIRFWSBDNPQ-QFIPXVFZSA-N 442.543 2.230 30 10 IEEE CC/C=C\Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1293727241 UWNRAQPYYQXAND-UZQCKINESA-N 437.548 2.490 30 10 IEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1296205878 DTFSNEFJTUWRKE-UHFFFAOYSA-N 437.592 2.053 30 10 IEEE CCOc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(C)CN(C)C1=O 1296864814 ZXIJGSYBRUFUAC-ZHRRBRCNSA-N 426.521 2.330 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1300309447 TVIDIJFMMBNWEU-KVSKMBFKSA-N 433.553 2.080 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300421441 GUYOKIBLYLGSGI-UHFFFAOYSA-N 431.562 2.051 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1300731696 GSSVFOMQTDPAKR-QHCPKHFHSA-N 439.585 2.287 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300888387 JJCQGXWUYFDHIF-QRFRQXIXSA-N 433.578 2.114 30 10 IEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1301016880 CKDKYYBDIOOKTP-LLVKDONJSA-N 431.896 2.482 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301490970 ATRJYKAXACYLDM-UHFFFAOYSA-N 442.527 2.149 30 10 IEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301498937 VJDGGJOLBZMULF-UHFFFAOYSA-N 433.560 2.432 30 10 IEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301594469 DAMAYHYAOYSLAS-QGZVFWFLSA-N 443.577 2.197 30 10 IEEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1303426573 VDJUVVMMUHZXIU-UHFFFAOYSA-N 427.509 2.051 30 10 IEEE C[C@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)c1cccc(Cl)c1 1303886659 DWWRCJMSXVSHSQ-XPGWFJOJSA-N 432.887 2.232 30 10 IEEE C[C@@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCO1 1304931059 CBWJHMMVGCKULJ-QZTJIDSGSA-N 438.532 2.260 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)Cc1ccccc1 1305790111 HQEHNEMPAJLNBP-HXUWFJFHSA-N 439.564 2.057 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)Nc1ccc(F)cc1 1306198396 LBTOTBRIBCVXOW-UHFFFAOYSA-N 434.479 2.212 30 10 IEEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CC1=O 1307064404 NUJIDHZQAHQXFD-UHFFFAOYSA-N 449.515 2.448 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)n1 1313114165 RIAUUWJNQYZPBK-ZWKOTPCHSA-N 433.553 2.462 30 10 IEEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1316234415 LMYXGKMNMKNOGB-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1316262554 BTSQBQCIJSHPJL-LJQANCHMSA-N 435.532 2.282 30 10 IEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1316359210 CIHJJKLHYWLHOO-UHFFFAOYSA-N 442.467 2.145 30 10 IEEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 1318438271 FVQIAXSRWWHIFO-GOSISDBHSA-N 431.517 2.178 30 10 IEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1359129174 UDQDWCSOVHPTDP-IBGZPJMESA-N 438.536 2.375 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1359279399 DVQHWSFIFXEDHD-UHFFFAOYSA-N 437.592 2.482 30 10 IEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1359343571 WIDHFMSOFBTFOJ-SFHVURJKSA-N 440.577 2.100 30 10 IEEE CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1359637841 CGWRNEBMSSRDTA-UHFFFAOYSA-N 446.515 2.206 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1360319525 JJUBGBJWXGBUSX-AUSIDOKSSA-N 448.612 2.292 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1360483631 ZMHMXYWRFSVDOV-WCXIOVBPSA-N 434.541 2.203 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 1435746311 KXRGMDUCVIQRHK-AWEZNQCLSA-N 430.242 2.487 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)cc1 1435867680 GTRFESQDBVMOQM-INIZCTEOSA-N 433.436 2.480 30 10 IEEE CN1CCC(OCC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CC1 1443660383 BSCZPIKZTHWNEO-LJQANCHMSA-N 435.366 2.269 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1 1449229539 YFCLKMXMILFIQK-GFCCVEGCSA-N 431.395 2.397 30 10 IEEE CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CC[C@@](O)(CC#N)C1 1469405143 JSYSYJLXIUKGIO-DEOSSOPVSA-N 433.464 2.372 30 10 IEEE CC1CC(n2nnc3c2CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC3)C1 1469730638 XMBKYLIBCAZHBY-BJDYSFLHSA-N 429.525 2.076 30 10 IEEE C[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)n1nnnc1C(C)(C)C 1469883850 AJZIKROPQIUHRZ-HNNXBMFYSA-N 433.520 2.142 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)NC(=O)C2 1471771751 GPAMKFNCCHTNGZ-MRXNPFEDSA-N 426.498 2.417 30 10 IEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)C[C@@H](C)O1 1499780400 ASIOBJFEQJGDAS-POAQFYNOSA-N 429.521 2.394 30 10 IEEE CCN(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N)C1CC1 1502195006 AJHRDGNRANHWOU-MRXNPFEDSA-N 434.548 2.415 30 10 IEEE CCOCCn1c(Cc2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503211071 ZBFNYMPFMQJCEV-UHFFFAOYSA-N 448.575 2.454 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1504601403 WIBKTRIXPGCYHF-QKLQHJQFSA-N 430.528 2.347 30 10 IEEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1505289046 RQGLLLLKFYLLDZ-HFKSAQAGSA-N 442.545 2.070 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OCC)c(OC)c1 1507515781 WCDZZKHFJPGMNJ-INIZCTEOSA-N 441.532 2.436 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2OCC[C@H]2C)c1 1507549585 IAVMWVKVCQNZJJ-OXQOHEQNSA-N 433.516 2.160 30 10 IEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507566658 HLOQITUJVYSIET-HXUWFJFHSA-N 428.533 2.438 30 10 IEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507585870 PQVSWXVIKYCTBJ-IBGZPJMESA-N 438.576 2.404 30 10 IEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1507629730 OZBUTCCBAGKECX-GOSISDBHSA-N 439.541 2.157 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507630655 FAYDJTZKQLBBSO-IAGOWNOFSA-N 433.603 2.147 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cnnn2C)CC1 1507722029 PCTFSPLGRZYDCA-INIZCTEOSA-N 440.939 2.004 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1507736246 MXACWIIFAYJIMI-LJFZDNNRSA-N 443.592 2.486 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1507739648 SMODFVATCLUIFX-RCLSDMTESA-N 443.592 2.342 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1507764844 OQQXAANVJLFKPO-KSFYIVLOSA-N 443.573 2.254 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507941414 GSWMUAOUBMNOHV-UHFFFAOYSA-N 449.577 2.447 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1507982867 POYICDBHEUPYAY-HXUWFJFHSA-N 437.592 2.233 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1508144672 RRJIQDGBIKCZDH-INIZCTEOSA-N 449.487 2.385 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CC(F)(F)F 1508421198 UGBTWGPGLPHSEY-ZDUSSCGKSA-N 441.458 2.486 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCc2cccnc21 1510171535 ACEUNOALZJNXIQ-CRAIPNDOSA-N 443.577 2.143 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1510292202 ZLFXHSKKQRLLER-MBSDFSHPSA-N 438.532 2.215 30 10 IEEE CN(C)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1516986455 DCXBPBGHRMZSGD-FQEVSTJZSA-N 443.483 2.406 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1517529559 PTEZGROCBXTVCZ-FQEVSTJZSA-N 436.516 2.036 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1519383989 RSPYFJBALSVGIW-NHCUHLMSSA-N 439.516 2.316 30 10 IEEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1531591883 NFXPXLYJBMPLQI-UAGQMJEPSA-N 443.363 2.310 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2c(Br)cnn2c1 1535349751 NAGCSKBZPREXMB-GFCCVEGCSA-N 426.278 2.109 30 10 IEEE CN(CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1ccc(Cl)cc1 1538861961 NKWXVXGICQXZHS-IBGZPJMESA-N 433.917 2.432 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2([S@](C)=O)CC2)c1 1539040369 RXECRVYLVQLNTA-HKBQPEDESA-N 436.541 2.241 30 10 IEEE C#CCCCn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1539139573 FOFHJTRTUHDEOW-OAQYLSRUSA-N 443.508 2.290 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1539216052 MZKIMYNCEHVLJD-SYYJFZTOSA-N 443.573 2.172 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1SC 1539264971 AYNSPIKSGAAQEW-SFHVURJKSA-N 428.583 2.332 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCc1cccc(C(=O)NC)c1 1539332246 JCKHVVGIVIKZDT-UHFFFAOYSA-N 426.524 2.329 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1539369660 NXPLHBUWTCGWLV-FQEVSTJZSA-N 425.533 2.361 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1539447435 SAPTVOMJOKUGFG-IBGZPJMESA-N 446.596 2.232 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CC=CCO2)CC1 1539488085 GREWIZWOCYDXCH-JOCHJYFZSA-N 449.555 2.211 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)CCC(C)C)CC1 1539490577 XRYOBBLDNUBUOO-XXBNENTESA-N 431.581 2.283 30 10 IEEE CC(=O)N1CCCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1539532377 SUBRGQFGQXNCKD-FQEVSTJZSA-N 426.517 2.473 30 10 IEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)CC1 1539836909 ZXWWUPFZGIDCIB-UHFFFAOYSA-N 432.506 2.045 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1539966004 DBIPYPLZCLDHDJ-INIZCTEOSA-N 443.639 2.299 30 10 IEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540040456 UVIARLCNXYOZCM-IBGZPJMESA-N 443.573 2.497 30 10 IEEE C=CCN(c1nnc(C(=O)NC(C)C)n1CC(F)(F)C1(OC)CCOCC1)C1CC1 1540092946 SZIJIWNLRGNFAX-UHFFFAOYSA-N 427.496 2.402 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](CC)O[C@H](C)C1 1540863818 GJBKXRBIYFATFR-OCCSQVGLSA-N 437.342 2.342 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1540875469 NDNFEGOOIWVBDH-JOCHJYFZSA-N 429.496 2.305 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)cc1 1540877842 HPXCVWFVSBDTOF-GOSISDBHSA-N 432.546 2.020 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@@H]2C)C1 1540894120 RALBYSCZSPSGTN-QFBILLFUSA-N 432.594 2.136 30 10 IEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540913260 QTYSYADMYNNJNM-GOSISDBHSA-N 443.621 2.325 30 10 IEEE C#CCCN(CCOC)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1540929153 BOJJQBXWAJXLEW-QZTJIDSGSA-N 436.574 2.474 30 10 IEEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1541088820 OJYIFKPITCLXGR-UHFFFAOYSA-N 437.548 2.084 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1541104571 AJZKYEVVLCDOLG-NEPJUHHUSA-N 430.987 2.442 30 10 IEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1541513665 AZCNQAPFNHRQOA-LJQANCHMSA-N 432.569 2.187 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1541693042 NKHHSUCROBYLED-GOSISDBHSA-N 432.532 2.237 30 10 IEEE C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1543462458 MTTDWVSVXLNGDK-MJGOQNOKSA-N 432.542 2.170 30 10 IEEE Cn1cnnc1[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1543706419 RLFJCVGVNFUIKM-GKVAYGERSA-N 428.537 2.308 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)C1=O 1543973727 DRZXHUYWFREPKP-UHFFFAOYSA-N 439.375 2.139 30 10 IEEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555273963 FBMCPJHQLHGLED-DLBZAZTESA-N 432.475 2.104 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccc(C#N)o1 1555617569 YQWOELSOJJPTFE-OAHLLOKOSA-N 433.509 2.350 30 10 IEEE CNC(=O)OC[C@H]1CCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1556879611 STLSVQGROKNSGN-MRXNPFEDSA-N 435.322 2.494 30 10 IEEE C=CC[C@@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1560027111 RFRNGSFNXMDZNH-GOSISDBHSA-N 439.560 2.466 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 1570328685 ZCLRKSZJOORPMZ-KRWDZBQOSA-N 435.546 2.116 30 10 IEEE COc1ncc(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1C#N 1584819479 NIDCHGIASKUSGP-UHFFFAOYSA-N 429.230 2.349 30 10 IEEE COCCNS(=O)(=O)c1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)ccc1OC 1586487618 HKMYAMDVMDUGDS-UHFFFAOYSA-N 431.514 2.408 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)n1 1586564312 BUVDRHXSWDNOIH-SFHVURJKSA-N 446.301 2.036 30 10 IEEE Cc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1587324713 IGIMYDUDCMXENA-OAHLLOKOSA-N 444.362 2.433 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCn2ccnc2C1 1588166838 QTXOUYDBSMTBQL-IBGZPJMESA-N 430.512 2.398 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSc1ccc(C)cc1 1588180689 IPLSCDRKXMIKGX-GOSISDBHSA-N 445.614 2.452 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2nc(C(C)C)cs2)CC1 1588930400 VHJNFJPBUDCYBW-KRWDZBQOSA-N 442.589 2.376 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1588976468 ZAYDIQJLGCVSGF-INIZCTEOSA-N 443.577 2.427 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCN(CCC)C(=O)C1 1589088873 LFHHPQUZVBMGHS-UHFFFAOYSA-N 432.619 2.449 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1589242674 FSKGVIZNDVKNRJ-XMMPIXPASA-N 437.544 2.325 30 10 IEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC)[C@@H](C)C1 1589381559 FVJUIRKNCSFLDN-ZDUSSCGKSA-N 437.342 2.445 30 10 IEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1589442907 FYLIHZXPSCIIDQ-OAHLLOKOSA-N 447.337 2.362 30 10 IEEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1594788702 QZFMRSINTRWNKI-MRXNPFEDSA-N 448.474 2.353 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCC(=O)NC 1595497212 UBERCUIXXJUAKA-OAHLLOKOSA-N 444.605 2.396 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1596821220 BXLHURDFUWONFD-PMPSAXMXSA-N 433.557 2.328 30 10 IEEE CC(C)[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1598241825 AXTCVRBYAKCQLM-DVSDUFGPSA-N 448.568 2.185 30 10 IEEE CC(C)N1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1608078099 FVFQGTOEWYMVGZ-WOJBJXKFSA-N 448.637 2.431 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1612464428 MIVXYXQQSRUTKO-UHFFFAOYSA-N 441.561 2.086 30 10 IEEE CCC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1614338966 MDLMGUXJSHGAJN-HSZRJFAPSA-N 433.516 2.350 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)n[nH]2)c1C 1617269543 RGXHAMZMUUXUQH-UHFFFAOYSA-N 448.527 2.478 30 10 IEEE CN(C)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1617685426 HWEQLNXBVXANPR-QHCPKHFHSA-N 448.506 2.477 30 10 IEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1618736491 QFZQNWCMKPAXIK-GOSISDBHSA-N 438.532 2.322 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1620204633 ZICKTPBXCJLJII-IERDGZPVSA-N 429.546 2.476 30 10 IEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCC2(F)F)CCO1 1620354413 DPQIMQBWAALXJM-CABCVRRESA-N 431.447 2.480 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)OC 1623579109 BUDFXEAFJJFCBF-MSOLQXFVSA-N 432.517 2.450 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CCCN1CCCO 1624758163 CCSDCWSKIRGPPB-PZJWPPBQSA-N 442.560 2.356 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 1628239236 OPOPDOQUEYNFMF-QZTJIDSGSA-N 434.606 2.460 30 10 IEEE C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1nnc(O)n1C 1631466304 DNLKITBCPZUKBJ-BLLLJJGKSA-N 426.477 2.104 30 10 IEEE N#Cc1ccc(F)c(C(=O)N2CCC(n3nncc3I)CC2)c1 1632923151 BDIGTKJRBDHGTN-UHFFFAOYSA-N 425.205 2.371 30 10 IEEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1634201584 XELGSZXTDJKMPB-IBGZPJMESA-N 434.562 2.234 30 10 IEEE C#CCN(C(=O)NCc1nc(-c2ccccn2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1635245375 BXXDGBFNFLKLDB-UHFFFAOYSA-N 439.520 2.411 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1638911572 UYAADGHBYLFSKF-YVHKJVDXSA-N 429.521 2.117 30 10 IEEE CNS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 1642822212 XLBKULYAURJIDL-UHFFFAOYSA-N 444.532 2.181 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@@](O)(CN(C)C)C2)cc1 1654872087 IUYBCTRUTMKYCK-XMMPIXPASA-N 439.560 2.301 30 10 IEEE N#Cc1cccc(CNC(=O)CN[C@H](CO)c2ccccc2I)c1 1655043574 ZJCUSVMSIQHNLS-QGZVFWFLSA-N 435.265 2.102 30 10 IEEE C#CC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)C1 1658486317 XILWMCMWCDFJEI-UHFFFAOYSA-N 435.299 2.494 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)n1 1662220796 IQGKZKYGEINFHZ-IBGZPJMESA-N 438.488 2.032 30 10 IEEE C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1669824640 YZNOJSYRRFDJJV-UHFFFAOYSA-N 441.502 2.343 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 1672450668 CYDNKMRPHCMMEC-UHFFFAOYSA-N 431.543 2.415 30 10 IEEE C=CCOCCCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1682774472 HDEOEFDNWYRAFR-MRXNPFEDSA-N 425.526 2.211 30 10 IEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1689907597 DSWYYGLUTVBFMS-BZSNNMDCSA-N 430.509 2.075 30 10 IEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)OC)C1 1689924864 XASLPWVOALQLTH-INIZCTEOSA-N 444.561 2.041 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1Cl 1690015726 WEBMNKNHANFHDH-MRXNPFEDSA-N 441.919 2.215 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCCCC2=O)CC1 1690136972 MGISEMBKDHOUFQ-GOSISDBHSA-N 428.581 2.160 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1690201498 MXPROZNVXNWBBX-JOCHJYFZSA-N 438.557 2.166 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690239132 RWCDPDLGFHVFHC-CUWPLCDZSA-N 430.597 2.137 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)[C@H]1C 1690663189 OVEHRZVWSYXHBW-LSDHHAIUSA-N 442.589 2.101 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1691493319 DQARCIQNIQRZRL-UHFFFAOYSA-N 449.515 2.048 30 10 IEEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1697273162 HRUYAYUFHJEUFL-VGOFRKELSA-N 445.495 2.042 30 10 IEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)CN1CCN(CC)CC1 1705555114 YVBINGUHZHKHKH-GOSISDBHSA-N 430.547 2.490 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705570029 JUAYBHPKOVYLNV-LJQANCHMSA-N 429.590 2.440 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1705570978 TWKMHWJHHQQQNI-SJLPKXTDSA-N 448.614 2.256 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCN(C)C1 1705621426 COZNXLYJZHCILD-HYBUGGRVSA-N 441.576 2.188 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H]2CCCCO2)CC1 1705650232 ODEDKCXTOGBBLB-NRFANRHFSA-N 436.560 2.189 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1705715950 UQLHNRUAXOKODU-SFHVURJKSA-N 426.521 2.070 30 10 IEEE C=C(C)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728534 NSFLEGIRFXACIU-HSZRJFAPSA-N 443.596 2.341 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705738345 UOHGUIKXIKLEDR-QHCPKHFHSA-N 437.548 2.342 30 10 IEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705830256 LPVGMTGGJLPYSY-JLHGSKIFSA-N 433.553 2.478 30 10 IEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705941174 AYAWNUJNWABTBT-OAHLLOKOSA-N 433.969 2.469 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1712459695 RAFTZUGJJKRRAS-REWPJTCUSA-N 440.548 2.359 30 10 IEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722314753 QRGRAURJRPSGHT-UHFFFAOYSA-N 447.547 2.444 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722361715 OLECNGFVPWOQPT-PKOBYXMFSA-N 433.578 2.351 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1722361952 LAFLRBAWOFCQIA-QGZVFWFLSA-N 449.964 2.213 30 10 IEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCOC1 1722385649 NEFZBGQXTSXOID-HSZRJFAPSA-N 446.599 2.142 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCO[C@H]1CCOC1 1722398683 ABAOXOQAOSUEPI-NRFANRHFSA-N 432.528 2.175 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC1(O)CCOCC1 1722421448 MVBLYPYJNLPKQE-IBGZPJMESA-N 428.508 2.493 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC2(C)C)n1 1722427962 PEMQKDJUOOZZCW-GOSISDBHSA-N 439.564 2.043 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1722445517 SMFGKABGVTWBNK-UHFFFAOYSA-N 434.544 2.335 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722604353 YNGVYLSMZHYDAH-QGZVFWFLSA-N 437.610 2.231 30 10 IEEE C=CCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1722689429 QVNSLQHYPPFXHU-KSFYIVLOSA-N 430.505 2.187 30 10 IEEE C=CCn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1722690198 AYWFKJXMLDTIJJ-QFIPXVFZSA-N 443.552 2.022 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2C)C1 1722711991 YEKNQSRFEDTBCF-DENIHFKCSA-N 430.553 2.190 30 10 IEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)CN1CCOCC1 1727613029 BWRZJQIBFBCJKY-FQEVSTJZSA-N 437.592 2.003 30 10 IEEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC#N)CC1 1729342030 YANOLXNLRVYGTM-NRFANRHFSA-N 440.548 2.499 30 10 IEEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCNC(=O)OC(C)(C)C)cn1 1729569093 JVLPVXILBNYUBX-FQEVSTJZSA-N 432.504 2.425 30 10 IEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C[C@H]1C 1730788256 BZIZMVOKEXWDAL-VQIMIIECSA-N 446.502 2.398 30 10 IEEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1730880005 DBYDKGVDBVWCAD-GHTZIAJQSA-N 433.553 2.124 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)NC 1740538000 JGIOLFXVTKDLSI-MRXNPFEDSA-N 440.573 2.360 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1740643463 JFSDXQTWTIPNRY-FQEVSTJZSA-N 435.528 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1740652085 QZLKZCGLLSGLGI-LJQANCHMSA-N 428.487 2.159 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1740668961 GOECLBZTIRTMEX-UHFFFAOYSA-N 449.559 2.393 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncnn1C(C)(C)C 1740681385 JKEINEXJINEFQJ-UHFFFAOYSA-N 428.928 2.474 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740709864 MVDXQGAVUDXRDP-OAHLLOKOSA-N 445.511 2.428 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1740789198 ABVBBLANOKSOLK-UHFFFAOYSA-N 429.546 2.423 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740816599 ITBZUJAWHQAMFN-RXVVDRJESA-N 439.988 2.230 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)C1 1740977622 WZKABPAQZWTUNS-IBGZPJMESA-N 427.553 2.251 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)NCC)cc2)C1 1740979402 DUWRAJKFYCBPSS-VQTJNVASSA-N 425.533 2.361 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1741801483 AWZZQQQLBIEXJJ-JKSUJKDBSA-N 443.556 2.308 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(CC)CCOCC1 1744688915 HIBZUEWTEQSCJU-UHFFFAOYSA-N 426.569 2.288 30 10 IEEE CCCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1745534829 MUKVJPPEOVOARB-HRAATJIYSA-N 427.484 2.293 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1747517136 MZDDVNCERSVYRK-UHFFFAOYSA-N 435.575 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1748665792 UWYMSROXCQBMQO-INIZCTEOSA-N 435.532 2.001 30 10 IEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C2OCCO2)c1 1748771217 JBHYQCFSWVDPMA-QHCPKHFHSA-N 426.517 2.482 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1748773184 UDPPECMEKPQBKR-QXAKKESOSA-N 431.562 2.126 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748855992 OUARQBCLBRHWJE-QGZVFWFLSA-N 425.537 2.126 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)N(C)C 1748887912 IRAUITPJGPXTMB-RBUKOAKNSA-N 440.498 2.273 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)COC)CC1 1749015534 YCAABKIPZYYDFD-KRWDZBQOSA-N 427.524 2.256 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749128782 ZRCUZMXFGHWPJR-IEBWSBKVSA-N 437.610 2.387 30 10 IEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749407937 CVSVWEAWGCIVBW-UHFFFAOYSA-N 446.577 2.195 30 10 IEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1 1749454911 LZZJLCBGLIVGSH-UHFFFAOYSA-N 443.529 2.428 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749672022 NWBAHFNIUHQKLX-UHFFFAOYSA-N 425.512 2.116 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCOCC2)C1 1749717404 KTKQOISIHDMIHA-HXUWFJFHSA-N 443.596 2.032 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@@H]1C 1749741137 QNEYZQOZTYTSAU-GVDBMIGSSA-N 426.583 2.023 30 10 IEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1749914623 HBLCFRQUOWBXCF-UHFFFAOYSA-N 449.559 2.226 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)CN(C2CC2)C1=O 1760220435 IZEQXAVIPFFQSJ-RUZDIDTESA-N 431.540 2.351 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)oc2ccccc12 1760242783 OPARFLVHZAAJBP-OAHLLOKOSA-N 445.545 2.077 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(COC)CCCCC2)CC1 1760255833 AUNODRYTILVXME-XMMPIXPASA-N 445.608 2.282 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cc(F)cc(F)c2)CC1 1760257261 SBGPLAGBOQJOSE-KRWDZBQOSA-N 433.503 2.278 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)CC1 1760325059 NVSJKKMJYSOOQM-XMSQKQJNSA-N 425.533 2.185 30 10 IEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760376383 NZZHGYONFSMBSN-ZDUSSCGKSA-N 445.923 2.370 30 10 IEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760527238 PRYLWZSMKCOFSV-PXNSSMCTSA-N 425.533 2.206 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1761251895 JCQGMLIVXMSYJP-CVDCTZTESA-N 438.532 2.116 30 10 IEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1764568265 BMQPEWBFRKKTNK-HNNXBMFYSA-N 449.481 2.416 30 10 IEEE CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1766186174 BLPMWNDQLVNQNU-BEFAXECRSA-N 426.587 2.081 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1767626662 QQNXYJFPNPQCMQ-HSZRJFAPSA-N 436.516 2.038 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@H]1C 1769896180 HETWIXDERAZCSH-VQIMIIECSA-N 446.502 2.398 30 10 IEEE N#CCCN(CC1CC1)c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCOCC1 1770756455 DYNLPQKZZMHLNC-UHFFFAOYSA-N 440.523 2.387 30 10 IEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1)OC 1770778839 COXMVJUWBOXTSI-NRFANRHFSA-N 440.548 2.065 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccccc1 1771295293 LFDIBADGYRTPMQ-FBRLZHCOSA-N 429.496 2.352 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1772543477 XEZWNXNUVJDSDB-LJQANCHMSA-N 442.495 2.339 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3C[C@@H]3C(=O)N3CCc4ccccc43)CC2)CC1 1852449436 WSHQYOJUHVWJGG-SFTDATJTSA-N 434.540 2.213 30 10 IEEE N#Cc1ccc(OCCOCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1852692117 SUTNYHFTDKUZGB-UHFFFAOYSA-N 433.505 2.099 30 10 IEEE Cc1ccc(N(C(=O)[C@@H]2CCCN2C)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1852714770 XYFYKRFBIZFAKF-SFHVURJKSA-N 429.546 2.428 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)c2ccc(C(F)(F)F)nc2)CO1 1853949278 WYXBJUPBSAOROA-CYBMUJFWSA-N 427.360 2.134 30 10 IEEE Cc1ccc(Oc2cccc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@@H](C)C3=O)c2)cc1 1854637715 XQFXJQQMPAFMPQ-INIZCTEOSA-N 427.482 2.314 30 10 IEEE N#Cc1cccc(C(=O)OC[C@@H]2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1860067854 YIFOMXLUCJAGID-QGZVFWFLSA-N 431.448 2.250 30 10 IEEE C=CCNC(=O)[C@H](CCCC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861608837 LKLKTVBJZUMZQP-HKUYNNGSSA-N 429.517 2.193 30 10 IEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1ccc(Cl)nc1 1870110029 WICHULXKMQCHDV-UHFFFAOYSA-N 441.791 2.273 30 10 IEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870288002 QPJWPPFUXWIRCY-UHFFFAOYSA-N 442.541 2.485 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)CC1 1890179738 DPHZLSAYXFRNGS-UHFFFAOYSA-N 428.533 2.165 30 10 IEEE COc1cccc(N2C[C@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)CC2=O)c1 1891401242 JXLCTNOBNTVRSS-QGZVFWFLSA-N 435.484 2.027 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2010032684 ZVVYLJOXSBFFLZ-GJZGRUSLSA-N 441.525 2.167 30 10 IEEE C=CCC1(NS(=O)(=O)c2c(Br)cnn2C)CN(C(=O)OC(C)(C)C)C1 2054342176 ZFYUFYJHVDWOAQ-UHFFFAOYSA-N 435.344 2.027 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073751766 IGUXPLPJKWTYEM-DUQZYUJVSA-N 436.358 2.442 30 10 IEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(OCC#N)cc1 2164488947 ZFTLASYZTMKQGQ-HXUWFJFHSA-N 431.445 2.355 30 10 IEEE C[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C(=O)OC(C)(C)C 2243685359 SFFMWEVZFFJNEZ-LBPRGKRZSA-N 425.360 2.314 30 10 IEEE CC1(C)OB(c2cccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2Cl)OC1(C)C 2255542048 MDTKPQZXEBUHNS-UHFFFAOYSA-N 446.662 2.390 30 10 IEEE C[C@@H](CCCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255820885 WISWHFYKRPWYSL-AWEZNQCLSA-N 436.362 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255879499 PYWTZKVDAPDSSW-JLCFBVMHSA-N 429.326 2.120 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267090957 OKBANMWXVLKJPV-HOCLYGCPSA-N 448.373 2.426 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267168467 RNGCWRNDPBMSKL-GOEBONIOSA-N 446.357 2.151 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267175456 MGEIHKLZBMUCQX-GDBMZVCRSA-N 446.357 2.151 30 10 IEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267268053 PFSAQMDYIQEVPS-GJZGRUSLSA-N 446.357 2.009 30 10 IEEE CC1(C)OB(c2ccoc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2267492404 RTYNMNZGJIUYHY-UHFFFAOYSA-N 439.365 2.302 30 10 IEEE Cn1ncc(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267509921 COCJAZDMWIPZFH-GASCZTMLSA-N 448.373 2.285 30 10 IEEE Cn1cc(C(=O)N[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267514585 BIFWKYFWQCMRCR-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267873067 NJOVYDDKLQRPAN-LSDHHAIUSA-N 446.357 2.294 30 10 IEEE CN(C)CCN(CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2268631377 XSIZUOMOLDVHRP-UHFFFAOYSA-N 448.373 2.118 30 10 IEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268651039 MYZAKFPFKVSUBP-KDOFPFPSSA-N 446.353 2.102 30 10 IEEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc(OCC)c(OC)c1 2331260678 ZLXYXGGCHGXIQR-UHFFFAOYSA-N 435.550 2.375 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2337205859 FAHZQKFOFRFDKD-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE CC(C)n1cc(/C=N/Nc2nnc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)n2N)cn1 20921195 CUJLZMIAYMCFFM-KPSZGOFPSA-N 441.481 2.292 30 10 IEEE N#Cc1cccc(Cn2cnc3c2c(=O)n(C[C@@H]2CCCO2)c(=O)n3-c2ccccc2)c1 34694351 CWJKRXIXZGHECH-FQEVSTJZSA-N 427.464 2.448 30 10 IEEE N#Cc1ccccc1N1CCCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCO2)CC1 461062254 VUYXBLKQTWSYFI-CTNGQTDRSA-N 438.532 2.133 30 10 IEEE Cn1nccc1[C@H]1CCCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 500395974 OAZHLBKUWHMLEZ-LJQANCHMSA-N 449.515 2.416 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 504085052 MTNCNTHTJRDHOR-UHFFFAOYSA-N 448.570 2.042 30 10 IEEE COc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(OC)c1OC 504885618 ORDPOGJXLXYRNE-MRXNPFEDSA-N 438.440 2.428 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4ccc(F)cc4C#N)CC3)C2=O)n(C)n1 506381260 XQPGZRIQSACAGA-IBGZPJMESA-N 439.495 2.084 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 516695612 UKOVXBZSSPZASI-CQSZACIVSA-N 426.380 2.376 30 10 IEEE COc1ccc(CC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 518265623 ZDOVJPXCEBTKFO-UHFFFAOYSA-N 427.526 2.326 30 10 IEEE CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546918120 RTZMECVYNNSKHO-UHFFFAOYSA-N 442.545 2.336 30 10 IEEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCCN(S(=O)(=O)C2CC2)CC1 583643037 HIOXTZYNZDDRSP-UHFFFAOYSA-N 429.464 2.266 30 10 IEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N[C@@H](C)c2ccccc2)nc1C 586300765 AGMCYYSVJPUMDZ-FZPQWHJUSA-N 449.554 2.359 30 10 IEEE Cc1nc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C(=O)NCCO)n1C 590536704 NXRGOTONHZVATH-UHFFFAOYSA-N 433.468 2.154 30 10 IEEE CSc1nc(O)c(C(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 729536096 UWBLOJNAZSWNBV-UHFFFAOYSA-N 435.550 2.005 30 10 IEEE CNC(=O)c1cncc(/C=C\C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1 732410188 YTXAWVGOGUPXLA-YDZSZYSISA-N 436.468 2.342 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O)O[C@H](C)C2 746234934 NOADFADQVFUSSM-VMNDIINUSA-N 425.485 2.297 30 10 IEEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(C(C)(C)C)s2)c1=O 748064047 IKZPCSVOEVDBMQ-UHFFFAOYSA-N 431.583 2.182 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCN2C(=O)Cc3ccccc32)C1=O 750917811 XPLQZEXHZQUDHU-SFHVURJKSA-N 440.500 2.483 30 10 IEEE O=C(O)CCOCCNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757470172 CFBKNUXNLXTHRI-UHFFFAOYSA-N 436.464 2.136 30 10 IEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 761711275 HGRIKORIARTOPJ-QFIPXVFZSA-N 440.883 2.479 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)nn2)cc1 761968957 GAMFYLGSXQVNEE-GFMRDNFCSA-N 438.513 2.397 30 10 IEEE N#CCNC(=O)COC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 767499604 LONRLVDXXZLKOM-UHFFFAOYSA-N 431.861 2.456 30 10 IEEE C#CCN(C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 774181393 VGRDRAKRNNGKED-UYAOXDASSA-N 433.574 2.054 30 10 IEEE C#CCN(C(=O)NCc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 774187513 PKHKJCZNEYOQAB-HXUWFJFHSA-N 436.537 2.417 30 10 IEEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C(=O)C(C)C)n(CC(C)C)c3=O)n2)c1 781134587 OSQCJBNSTRVKDU-UHFFFAOYSA-N 449.580 2.492 30 10 IEEE Cc1ccccc1N=C1S[C@H](CC(=O)NCC(F)(F)F)C(=O)N1Cc1ncn(C)n1 782814984 BHYILAPJXVRSTN-CYBMUJFWSA-N 440.451 2.324 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC[C@@H]1CCOC1 784125798 STACNMJWZYYJSY-VQIMIIECSA-N 448.589 2.121 30 10 IEEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C#N)cn2)C1=O 788835943 YMXOOORSCKTIPY-UXHICEINSA-N 449.511 2.436 30 10 IEEE COc1cc(C)nc(C=Nn2c(-c3cnn(C)n3)csc2=NCCc2ccccn2)c1 789992658 XJYXESCWMYAUTE-UHFFFAOYSA-N 434.529 2.478 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(c2ccc(F)c(F)c2)CC1 791079676 NQGOTPIKMPTWPO-UHFFFAOYSA-N 448.495 2.132 30 10 IEEE C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 795972032 VZHSLFWLFFXLAR-NSHDSACASA-N 436.877 2.041 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCO1 812442071 OSPOVMQOTLTDDQ-MOPGFXCFSA-N 443.548 2.228 30 10 IEEE CCCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916875679 HKMCCAWPKYUZIR-DLBZAZTESA-N 438.550 2.098 30 10 IEEE CC(=NNc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N)c1ccc2c(c1)OCO2 1084611779 ITPBUQULUXBVMD-UHFFFAOYSA-N 443.464 2.427 30 10 IEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](CC#N)c3ccccc3)CC2)c([N+](=O)[O-])c1 1125048599 SLSCYZZJBHWTQY-SFHVURJKSA-N 442.497 2.344 30 10 IEEE N#C[C@]12CN(C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]1CS(=O)(=O)C2 1134428759 AKSZRTFQGVUHAA-IFXJQAMLSA-N 434.905 2.109 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)NCCc2ccccc2)C1 1141679487 ZKNBBUGDKNAHRI-UHFFFAOYSA-N 441.329 2.232 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1142422846 OQMZOQZQFWRFEU-PMXSJFBMSA-N 443.569 2.162 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn3ncc(C(=O)OCC)c3c2)cc1 1157033350 XYQLSGIYRUFWRA-UHFFFAOYSA-N 428.470 2.228 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1176963493 IDXCTWPMSBXLSO-QGZVFWFLSA-N 445.541 2.213 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(Cl)ccn3)CC2)ccc1F 1178342980 CLZQFHTVBHGDDV-UHFFFAOYSA-N 438.912 2.301 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1286287718 CNEZCSGLIUTOAI-GYCJOSAFSA-N 447.543 2.001 30 10 IEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1286311588 KESAJBQTULPDHN-IBGZPJMESA-N 440.592 2.353 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286397505 AJLXDWLUTIRNKP-RTBURBONSA-N 449.621 2.021 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1286452559 ILXIZUQIZNTQMR-INIZCTEOSA-N 440.552 2.396 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCS(=O)(=O)c2ccccc2)CC1 1286472821 VNRIPPMVLRQSQR-LJQANCHMSA-N 429.590 2.411 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)NC(C)C)CC1 1286485341 ZIWLDLLXUYFTMD-UHFFFAOYSA-N 438.576 2.144 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286545175 SSCDGYBFCQOBBE-QAPCUYQASA-N 447.381 2.329 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286564354 XRLXBAWANPIEMB-QFBILLFUSA-N 448.593 2.115 30 10 IEEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1286607875 KXIMBOPTXIVURG-PMACEKPBSA-N 432.613 2.250 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OC)C1 1286800134 GMMDDPCGYVYBIQ-WMZOPIPTSA-N 449.577 2.035 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1286833027 TXEMXAPYOMOJAD-HNNXBMFYSA-N 436.607 2.002 30 10 IEEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1287727972 FUZHTOZHSPLOJO-ZACQAIPSSA-N 425.526 2.438 30 10 IEEE C#CCCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1297473566 FGEINRYTCQQPES-UHFFFAOYSA-N 426.311 2.279 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1300458421 PGAOSNWVDORGEV-DRSNIGMVSA-N 433.553 2.002 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300506114 MRBFWCAYHPBKKI-WOJBJXKFSA-N 428.558 2.421 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc(C)s1 1300553496 JNVNZJQEPIYZFE-IYBDPMFKSA-N 441.561 2.330 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC=C)cc2)CC1 1300724619 ADIBJGIPALKRQL-NRFANRHFSA-N 449.555 2.361 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)c2nccs2)CC1 1300725487 AMAAVPHRLIOYLB-KRWDZBQOSA-N 449.584 2.490 30 10 IEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCc1cnccn1 1301508742 SNDKTPZPZHTIBB-UHFFFAOYSA-N 430.516 2.121 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCSCCCO)c1 1302988209 XCXMOVLMTFSKMJ-IAGOWNOFSA-N 429.502 2.046 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1F 1303735141 AWBGBPZNBHLVQS-QVKFZJNVSA-N 430.459 2.449 30 10 IEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1305151082 WFFORPTWNZACAZ-DENIHFKCSA-N 437.592 2.314 30 10 IEEE CCOc1ccc([C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc2)cc1 1311476502 GQDODVRLNBGJBG-FQEVSTJZSA-N 433.468 2.308 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)NCCc3sccc3Br)CC2)c1C#N 1313212546 WOWIDGJDSZISEQ-UHFFFAOYSA-N 437.367 2.499 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC3CCC(O)CC3)nnc12 1324229937 FFADFEJUTPVPMR-UHFFFAOYSA-N 428.514 2.417 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1324739431 MNGRFSZIGYCPJC-JOCHJYFZSA-N 426.473 2.114 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CCOC)CC1 1358877062 WHDBWNJGFCQUSO-KRWDZBQOSA-N 445.589 2.470 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358892609 CSYXYDUIVPTCLM-IEBWSBKVSA-N 431.548 2.223 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCCOC)CC1 1358910959 GTLCIVGIRHNULP-UHFFFAOYSA-N 429.521 2.441 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@](C)(O)c1ccccc1 1358968420 LEMIQQRAFZJGCX-XMMPIXPASA-N 428.496 2.296 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359057179 UMIXPVPXARLNBQ-QGZVFWFLSA-N 440.548 2.486 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@H](F)C2)CC1 1359178904 GEVOIPFJYBGOFD-KSZLIROESA-N 441.573 2.152 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359227536 DKYRLJNKVVSXMY-LPHOPBHVSA-N 427.505 2.050 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1359295619 IHOHRYIKNIZNDY-CYBMUJFWSA-N 434.903 2.132 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1359298759 KYKREZVNBCFSFQ-HOTGVXAUSA-N 435.532 2.069 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1359476273 APTZCPDTUFUTRL-JKSUJKDBSA-N 444.561 2.409 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1360469334 ANQLJWCLESLFGR-CQSZACIVSA-N 434.447 2.144 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1437314200 DIOZUIKRITVXSX-HNNXBMFYSA-N 434.212 2.227 30 10 IEEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 1443047523 FSJUZAZAMVWLKJ-IMSXRSKXSA-N 442.560 2.495 30 10 IEEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCc2ccc(C(=O)NO)cc2)cc1 1448499285 DUASNTMYKXNJIG-SFHVURJKSA-N 429.498 2.036 30 10 IEEE N#CC[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(F)(F)F 1455982110 DIKFVIXQVXFQBL-INIZCTEOSA-N 449.451 2.257 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 1463167613 FQZPAJYDWTZESV-AWEZNQCLSA-N 449.286 2.383 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)c1 1464256912 BYXWZQKXDJPCGJ-SMKFHGBISA-N 430.534 2.242 30 10 IEEE Cc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 1468183885 OSFGJOYNRHKMAA-QGZVFWFLSA-N 448.369 2.252 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1476224786 QOJZEKHBTZPJSZ-UHFFFAOYSA-N 446.504 2.100 30 10 IEEE C#C[C@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1478369035 KBGXBZVZXRMOSI-INIZCTEOSA-N 428.352 2.094 30 10 IEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1507546496 REEHMKZPFHOJJT-DLBZAZTESA-N 432.546 2.148 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1507622440 JIFNNMDUOWJRPF-MSOLQXFVSA-N 428.558 2.206 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507623243 QMWHAHQYJQFIMK-MRXNPFEDSA-N 437.953 2.156 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1507633098 BBMYOYADCHRGKL-GOSISDBHSA-N 440.525 2.146 30 10 IEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1507637632 LPSSZQOGRRRJLN-IPMKNSEASA-N 446.573 2.465 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)c2c(C)noc2C)CC1 1507720275 UAZHWDYBWXNGHA-APWZRJJASA-N 430.553 2.166 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](COC)OC)CC1 1507720277 CGUACTFGUFQQQJ-YLJYHZDGSA-N 447.967 2.488 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCOCC(F)(F)C(F)F)CC1 1507724915 MCNATHTVYRXSIJ-UHFFFAOYSA-N 426.418 2.012 30 10 IEEE C#CCSCCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C 1507758997 XEDYVHMOQYJQDB-LJQANCHMSA-N 440.617 2.291 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507839216 AXRXDHQMIHMNQN-UHFFFAOYSA-N 438.580 2.322 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1507848184 HKMLVYGDMHEVMD-SJORKVTESA-N 448.568 2.254 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](CC)OC)C1 1508117730 NWUJUQFJEFANKO-IAGOWNOFSA-N 448.593 2.445 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CC)OC)C1 1508118235 RBHKMPMBGNUWSC-SJORKVTESA-N 438.532 2.398 30 10 IEEE CC(C)Cc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1509197847 HGSYCRBNZXQGFE-MJJLBULHSA-N 428.537 2.151 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC(C)(C)O1 1512418383 FSAWCQSUGJOPLS-QGZVFWFLSA-N 438.532 2.069 30 10 IEEE CCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513852588 CZMYDVFJTNWVMG-VNRULFPQSA-N 436.516 2.369 30 10 IEEE CCN(CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1515576671 HCCQXKFWJFQGGI-HNNXBMFYSA-N 436.358 2.496 30 10 IEEE COC[C@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1518748771 JDNCLCGZFYRLQR-MSOLQXFVSA-N 429.500 2.097 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)OC)ccc1F 1531650180 NPHGVYHLBDGOFD-SFHVURJKSA-N 432.473 2.343 30 10 IEEE Cc1csc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1I 1532114881 YDGFPTWGHIRGPS-UHFFFAOYSA-N 443.270 2.345 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](c4nccs4)C3)CC2)cc1 1536853518 YXETWMXAKFRLDP-QGZVFWFLSA-N 430.555 2.432 30 10 IEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)C1CCN(C)CC1 1538303321 KNMMNMKWXSKQFY-UHFFFAOYSA-N 431.602 2.260 30 10 IEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1538889962 HMESLJHGGOKOCB-NQIIRXRSSA-N 433.574 2.404 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCNS(C)(=O)=O 1538972433 ICLTYOJVGOBIDX-CYBMUJFWSA-N 440.367 2.105 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCn1cc(CO)nn1 1539158714 IYSQUHQNQOVDQR-UHFFFAOYSA-N 436.339 2.013 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1539370426 CCGCARRCCHCRAP-CVEARBPZSA-N 425.505 2.031 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C1CCCCC1 1539392473 SAXUFRJEPVUMNH-OAQYLSRUSA-N 442.608 2.397 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1539423351 YGOVMKHCPNNYPU-IECBHUPTSA-N 443.592 2.294 30 10 IEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](OCCOC)C1)c1ccccc1 1539771176 VDICRHMYUISQPZ-HXUWFJFHSA-N 425.533 2.356 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(C(F)(F)F)n3)CC2)cc1 1540728686 QSLIEQGMDFWHDI-UHFFFAOYSA-N 438.431 2.048 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CCC2)C1 1540882571 KOKHZEQGFVIMKL-ZYSBOAIWSA-N 444.561 2.008 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1540889169 GKIYWPFZUCQBFN-NVXWUHKLSA-N 440.470 2.318 30 10 IEEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1542472608 YJSPVBHBYZWBBR-OAQYLSRUSA-N 446.577 2.235 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@H](C(F)(F)F)O1 1544754066 BXZOTPQRLIOAIX-SUMWQHHRSA-N 448.449 2.499 30 10 IEEE CNC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367970 ZUBUYNKPRIIPDR-SFHVURJKSA-N 446.433 2.255 30 10 IEEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1554501556 RIQPHUOQJCGNRQ-NQIIRXRSSA-N 444.561 2.216 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1555637398 RKVCLDLZVGRSLN-IERDGZPVSA-N 440.483 2.073 30 10 IEEE C[C@@H](CC(=O)N1CCC(C(C)(C)CN(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1556670095 GVTXZBYCKMMIEI-INIZCTEOSA-N 434.606 2.330 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 1557615594 HXNRERWEYJWLHM-DIFFPNOSSA-N 442.324 2.382 30 10 IEEE O=C(c1cn(-c2ccc(Cl)cc2)nn1)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032738 GRQKDCCDIGZOJS-UHFFFAOYSA-N 425.832 2.438 30 10 IEEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)OC 1561929287 NXIMKCPKTSFGEB-GFCCVEGCSA-N 434.308 2.397 30 10 IEEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1587965540 INMLAWBWNQOSII-JENIJYKNSA-N 440.548 2.377 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)OCCO2 1588159194 RWRFWVPMOUIMQT-UHFFFAOYSA-N 447.520 2.162 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCS(C)(=O)=O 1588193493 FLBYWRGCYPHXFE-UHFFFAOYSA-N 435.347 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1588251176 NEHXNLBLEJBNQF-UHFFFAOYSA-N 444.539 2.450 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCSC 1588629035 UPSSDJQDKYVPMO-UHFFFAOYSA-N 426.546 2.031 30 10 IEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1588673056 LLSGDEQSIGALKO-ROUUACIJSA-N 437.544 2.419 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1588929930 JDYHYZZMSGXCAU-HKBOAZHASA-N 441.576 2.467 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1594732933 JOSYDPJBBPPRLW-JKSUJKDBSA-N 436.557 2.253 30 10 IEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1594733754 YCYGNBUCHLHWIP-OAHLLOKOSA-N 449.499 2.276 30 10 IEEE CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1614239864 NEZOBAJJUSARQS-LTCJTPMSSA-N 446.577 2.378 30 10 IEEE CCN1CCN([C@H](C)Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1615846342 XOJVYWRTMMTGHW-MIZPHKNDSA-N 447.628 2.083 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccc(-n3nnnc3O)cc2)C1 1616332948 JHGLWLLGPUDRFK-UHFFFAOYSA-N 440.261 2.077 30 10 IEEE COCC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1619767289 BTGVBUVFUCVPCS-KLHJMIIUSA-N 433.484 2.073 30 10 IEEE N#CCc1ccc(OC[C@@H](O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1620622492 SFMJWDMPRGTDPX-FQEVSTJZSA-N 429.542 2.019 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cc(O)nc(S)n1 1628254840 GAROUPRZOCUGDW-UHFFFAOYSA-N 439.291 2.199 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 1628662457 MNKSGBHFLGJPND-WIYYLYMNSA-N 433.464 2.139 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 1629730371 WSPJDTSBXIRYOU-VDGAXYAQSA-N 439.537 2.266 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)C1 1633836104 CZSWZOTZINNTPJ-FUHWJXTLSA-N 432.318 2.354 30 10 IEEE N#Cc1cn(CCC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c(=O)nc1O 1633859281 UMUOITAAAXMCGX-QGZVFWFLSA-N 434.456 2.405 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636141300 AVEIHRRKVXMNIE-SFHVURJKSA-N 432.521 2.388 30 10 IEEE C#C[C@H](CO)NC(=O)c1ccccc1NC(=O)c1ccccc1I 1636622984 NOFSOKDCNKYZCT-GFCCVEGCSA-N 434.233 2.267 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1639822124 RUSVRBZRDLBGEG-PONJGIIJSA-N 445.541 2.312 30 10 IEEE C=CC1(CC(=O)N2CC[S@](=O)C[C@H]2c2cnn(CC)c2)CN(C(=O)OC(C)(C)C)C1 1639899412 DOLFBFUNPXCSJW-ZOKDDAQRSA-N 436.578 2.348 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)cc1OC 1640595598 WQQMVYSZQXRKPE-MRXNPFEDSA-N 444.488 2.442 30 10 IEEE CC[C@@H](CC#N)NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1643344092 FGZHKJSDMGJMAW-FBJMNJBLSA-N 446.554 2.015 30 10 IEEE Cc1ccc(-c2csc(NC(=O)[C@H](C)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1644637378 WRINCEKZFKAEPK-UVFQYZLESA-N 430.555 2.316 30 10 IEEE C#CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)OC 1648842248 BDGDXURHNANEDB-KRWDZBQOSA-N 430.482 2.099 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(C(F)(F)F)cc2)c1=O 1652998730 UKXSHPJAFNAVNZ-UHFFFAOYSA-N 437.374 2.125 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](CN2CCN(C(=O)CC#N)CC2)c2ccccc2)cc1 1654492776 YADFGPQLTFDEOL-OAQYLSRUSA-N 426.542 2.073 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nccc4c3CCCC4)CC2)cc1 1684060157 ZSNIKUBSAOGAQH-UHFFFAOYSA-N 439.541 2.048 30 10 IEEE CON(C)C(=O)[C@H](C)NC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1687203750 KTXZQCHCHHEWRU-FXQIFTODSA-N 427.292 2.207 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1689830693 BTVAZWGKTDMVFS-FDDCHVKYSA-N 435.532 2.406 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1689850390 AVRHUUFLAOPYPM-NWDGAFQWSA-N 447.508 2.356 30 10 IEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1689933416 MZPHRXXFFHGEPY-UHFFFAOYSA-N 428.968 2.194 30 10 IEEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1689939738 BGCJTNONDWNPMS-UXHICEINSA-N 430.597 2.045 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689989469 FUWRQUBVLLLORR-UULLZXFKSA-N 440.635 2.110 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@H]1OC 1690090009 SOMJMLXMWNWCRY-YSIASYRMSA-N 441.507 2.060 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)C 1690102440 LAAACXGCZCKTHZ-OALUTQOASA-N 448.612 2.429 30 10 IEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1692439328 LOWDJHYQNGBFQL-UHFFFAOYSA-N 436.476 2.163 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1692580041 CFDXSABOPHKJMZ-FCHUYYIVSA-N 448.543 2.067 30 10 IEEE CCc1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694707329 AVAHIWMHQXATIM-VEGAHXMMSA-N 436.516 2.415 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705636337 GKCMWGGVYQCBCN-NRFANRHFSA-N 446.024 2.186 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC)CC1 1705640533 VNEJTGMYPUFGHI-GOSISDBHSA-N 432.569 2.142 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OCC)c2)CC1 1705642323 PHAVZNWWSSBWDY-UHFFFAOYSA-N 433.560 2.342 30 10 IEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705663063 VCAYDNXSKBWSTC-UHFFFAOYSA-N 436.541 2.186 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1705668259 HPLXHRDPMBTWHK-YCRPNKLZSA-N 449.552 2.271 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1705875943 LDLSCCANLDEJKH-IBGZPJMESA-N 443.573 2.157 30 10 IEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCC1 1705883646 PUKMYXKEMSBCLV-UHFFFAOYSA-N 438.532 2.229 30 10 IEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705906937 UHFATRUKQXKVFV-MOPGFXCFSA-N 426.565 2.387 30 10 IEEE CC(C)OCCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1706712206 VGUHNMHXJXQYRR-SFHVURJKSA-N 428.537 2.232 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1711203436 FWXACGZNUMAJGG-INIZCTEOSA-N 439.488 2.112 30 10 IEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C(C)(C)C 1711549910 AJOVKURBPKGRBJ-IBGZPJMESA-N 440.548 2.349 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1712579161 WWQPKUIPPKSHAN-PMACEKPBSA-N 441.532 2.283 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC(=O)NCC=C)c1 1722307389 MWXWQTAFRZJGIQ-UHFFFAOYSA-N 448.552 2.289 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722315676 ZPLXKUNALINNDQ-LJQANCHMSA-N 440.573 2.386 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CCOCC2)CC1 1722433191 ONISGFVIWZXETN-UHFFFAOYSA-N 447.381 2.228 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1722436345 DJUSRKFHYZKZQB-IBGZPJMESA-N 444.580 2.142 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCc3ccccc3C2)CC1 1722447800 PZPQWKXOFIUXPL-UHFFFAOYSA-N 434.588 2.255 30 10 IEEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1722685571 GEMKNMQMMKMIHL-SJORKVTESA-N 431.541 2.161 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)C1 1722716739 XLQBGTBQNROYMU-PBHICJAKSA-N 444.923 2.368 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C#N)o2)C[C@H]1O 1729782641 OIAFYNBXXANNAD-FZKQIMNGSA-N 441.875 2.472 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1740531402 LEMUZUROHAQTNF-HNNXBMFYSA-N 425.924 2.410 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1740614866 IQYHGHKIEZDJMR-UYAOXDASSA-N 425.533 2.179 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1740663962 WYYDKKOGCNZHHN-HSZRJFAPSA-N 441.580 2.339 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740695503 UKXPVLQYCNAKRQ-UHFFFAOYSA-N 447.509 2.370 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCN(CCC)C2)CC1 1740705475 HWKPVLTXVRJPPQ-CTNGQTDRSA-N 442.608 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1740706809 DUHICVRYNQTLOY-OALUTQOASA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1740716082 KXDHDGYLTBVPFS-VQTJNVASSA-N 438.601 2.306 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1740795201 PMKCIDLRKSVIEE-MSOLQXFVSA-N 426.583 2.024 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1740823235 ASOYYFPBMAMUPD-SJORKVTESA-N 447.502 2.422 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740985366 GFNRYGJDHGWOSF-GOSISDBHSA-N 435.598 2.127 30 10 IEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740995031 XYRQEQYRMRQHJZ-PZJWPPBQSA-N 443.617 2.337 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1741139156 AXUXKEHDPMFWSA-UONOGXRCSA-N 441.504 2.356 30 10 IEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1741243156 YTAJXIBVDQPYRI-ROUUACIJSA-N 429.546 2.398 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)c2)CC1 1748990874 NGKMRCKGWAKUIX-QGZVFWFLSA-N 432.450 2.052 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1749068279 GQTASRRAPHRSHC-OXJNMPFZSA-N 449.433 2.461 30 10 IEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749231360 NALGUODKRNRFBC-UHFFFAOYSA-N 432.613 2.204 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1749489292 UAOYEYCPAONOSG-IEBWSBKVSA-N 449.577 2.009 30 10 IEEE COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C#N)o2)CCO1 1749551938 GTXJILSYGBVDPQ-GOSISDBHSA-N 439.472 2.327 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749626067 MCWXVPJDQIDWHH-UHFFFAOYSA-N 430.509 2.497 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 1749683044 HRRFXDXAIZGEMV-IBGZPJMESA-N 431.562 2.204 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1749723679 ASJFMOLOWSTWND-FQEVSTJZSA-N 445.589 2.213 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1750075764 HMMHVEIAQJLABD-BRWVUGGUSA-N 445.568 2.267 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCC1 1751093016 HSRAJYZZYZRWPD-HNNXBMFYSA-N 431.566 2.282 30 10 IEEE Cc1ccccc1OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1751702548 XSUHFJBPRJDIAS-KRWDZBQOSA-N 446.577 2.406 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CCO1 1752388043 MCGXSXVLFSALLJ-QUCCMNQESA-N 441.532 2.397 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760112547 IXULHQBUDOATOB-DLBZAZTESA-N 432.546 2.113 30 10 IEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1760139130 SIYXPYVLEHBJNK-HXUWFJFHSA-N 439.516 2.065 30 10 IEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1760183422 QBVBXNDLGJNHGT-SFHVURJKSA-N 446.573 2.288 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1760223437 FKMYPGWOQUAGKF-UHFFFAOYSA-N 446.555 2.302 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCc1ccn(C)n1 1760243707 QEGAWZPDNAOAEX-UHFFFAOYSA-N 435.507 2.156 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CCCOC2)n1 1760252844 SAAWNJXUJPOCFA-IBGZPJMESA-N 435.532 2.249 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC[S@](=O)C(C)(C)C)CC1 1760263216 SFDOEMWYIIDHDW-PMERELPUSA-N 427.618 2.366 30 10 IEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1760283792 BAMAROWXKRSDRD-UHFFFAOYSA-N 438.532 2.031 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NCC 1760298347 DKMIDUMSMJUZPX-JOCHJYFZSA-N 442.589 2.424 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760327551 IPGNQVSTNUSWJF-JAXLGGSGSA-N 433.597 2.344 30 10 IEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(=O)NC 1760350683 PSRGMAUFCPXSHJ-UHFFFAOYSA-N 425.331 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC1CCOCC1 1760519775 OYJZQKAXRXJLCG-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@](=O)C(C)(C)C)C1 1760545031 MGBGAZZWTIMIQY-IWAYBZMOSA-N 449.577 2.334 30 10 IEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760566175 NOLXUYZLQGOMFC-SJORKVTESA-N 440.635 2.231 30 10 IEEE CCN(CCCn1c(C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)S(C)(=O)=O 1766866572 HJVMZUUXIICOER-UHFFFAOYSA-N 428.562 2.424 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@@](C)=O)CC2)cc1 1768577775 ICOFZYNOBITXMB-PRAQEBQASA-N 431.537 2.425 30 10 IEEE COCCCN(C)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771040427 PSZQPANIEUCEQT-UHFFFAOYSA-N 447.543 2.448 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1)[C@@H]1CCN(C)C1=O 1848749891 JSFYOUQIQKLHLB-ZIAGYGMSSA-N 445.994 2.048 30 10 IEEE COc1cccc(COc2coc(CN(C)C3CN(c4nccnc4C#N)C3)cc2=O)c1 1849253500 JTXJLYDDYOWINH-UHFFFAOYSA-N 433.468 2.210 30 10 IEEE Cn1cc(C#N)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cnc21 1851947797 RQGMKHAZTYWNDJ-UHFFFAOYSA-N 443.916 2.245 30 10 IEEE Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCC(C(=O)N4CCC(C#N)CC4)CC3)C2)cc1 1852229973 SQNBGIVNQJQOCN-OAQYLSRUSA-N 444.601 2.232 30 10 IEEE C=CCN(CC=C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 1854609235 SZSXFFUDSUEYFH-HXUWFJFHSA-N 431.558 2.276 30 10 IEEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4cc(Cl)ccc4C3)CCC2=O)CC1=O 1857069453 ULJGLYCWFFALJF-LPHOPBHVSA-N 429.948 2.498 30 10 IEEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@@H]1C 1857184065 WEAOGNIKFDOBRB-ZDUSSCGKSA-N 447.900 2.282 30 10 IEEE N#Cc1cc(C(=O)N2C[C@H](CN3CC[C@H](Oc4ncccc4Cl)C3)CC2=O)ccn1 1857192793 RNONYWQALCXOLG-YOEHRIQHSA-N 425.876 2.144 30 10 IEEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1858111544 QSARYFOQZMZGJJ-QGZVFWFLSA-N 441.557 2.327 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(C)cc2)cc1 1859011628 NGDMEDBJZPQJPP-JLHYYAGUSA-N 426.494 2.415 30 10 IEEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)c1 1860555202 BQYJDYSNGAVFRG-UHFFFAOYSA-N 425.404 2.440 30 10 IEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1OC 1870140148 BUXRBOHLINHQDQ-UHFFFAOYSA-N 440.847 2.178 30 10 IEEE Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c(O)c1 1874299837 VNYARHAMOHOMQE-LSFURLLWSA-N 427.486 2.345 30 10 IEEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 1875230902 RSAZQRJCGVRUOX-GOSISDBHSA-N 427.892 2.233 30 10 IEEE C#C[C@H]1CC12CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 1891755697 ANFQEMRHDQWEIG-GHTZIAJQSA-N 443.569 2.450 30 10 IEEE CCN[C@](C)(C#N)Cn1c(C)nc(I)c1I 1936400015 RDTSJURCBLQUGU-SNVBAGLBSA-N 444.058 2.293 30 10 IEEE CC[C@@H](C#N)C(=O)Nc1c(I)ncnc1I 1983727709 XWGIRPVEFDZTNV-YFKPBYRVSA-N 441.998 2.174 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@]21C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124523233 CTIBMHJRRJCSCR-QCPUYCGNSA-N 444.341 2.408 30 10 IEEE N#Cc1c[nH]cnc1=NC(=O)c1cc(I)ccc1Br 2130061669 URGPYTFJIXNUPR-UHFFFAOYSA-N 429.015 2.390 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)C1 2241454309 LOPDZPPRGZCFKD-UHFFFAOYSA-N 427.501 2.430 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCOCCCNC(=O)OC(C)(C)C)C1 2247564440 HZBYAJQSQSOSEA-UHFFFAOYSA-N 439.553 2.341 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247840212 JGMHWQFIKDPIRH-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE C=C(CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C)B1OC(C)(C)C(C)(C)O1 2247903687 IQAGRMRMSOAFRU-CHWSQXEVSA-N 440.293 2.035 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255703526 UAUYUEFOSGKEMT-VXGBXAGGSA-N 430.232 2.250 30 10 IEEE Cc1cc(NC(=O)CN(CCO)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2256613986 KZLZESWPTBVWBM-UHFFFAOYSA-N 434.342 2.462 30 10 IEEE Cc1ccc(NC(=O)CN(CCO)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2256614693 OTALIOJWGANZIJ-UHFFFAOYSA-N 434.342 2.462 30 10 IEEE Cn1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177180 KJVXWQUNOFUXMA-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE Cn1cc(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267188587 OGKVOZWOUXWKQW-UYAOXDASSA-N 436.365 2.066 30 10 IEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267227072 QNVCZNPPSABMJT-SJORKVTESA-N 446.353 2.316 30 10 IEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267502210 KJZFZLHPKYRYJN-CQSZACIVSA-N 448.373 2.047 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267527945 OOBHLSNBSHNWDJ-SFHVURJKSA-N 438.381 2.456 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(O)[C@@H](N)C#Cc1ccc(Br)cc1 2278790987 PVPGNPFZRRWROS-FCEWJHQRSA-N 425.323 2.173 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)n1 2315405381 IOJPTEBBTWFJOJ-UHFFFAOYSA-N 434.298 2.142 30 10 IEEE COC(=O)c1cc(NC(=O)C(=O)C=Cc2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 2325513294 IITAAMVQJIMEFN-UHFFFAOYSA-N 427.409 2.498 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc[nH]1 2327826662 PGIKXAQWCIRXOZ-AWEZNQCLSA-N 431.566 2.221 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2334272692 KWZAWAQPGBOTTB-YESZJQIVSA-N 445.369 2.452 30 10 IEEE C[C@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 16728157 OWRRIGZRLIJUFZ-NSHDSACASA-N 432.502 2.089 30 10 IEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c1 20527495 QYAFKWZHTXHEDG-XIJPWPHISA-N 441.517 2.122 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](C)C1 440580836 QZYJADVOCWRFDR-HNNXBMFYSA-N 438.459 2.294 30 10 IEEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 476771061 AHJWUCAHDBLCRQ-WIYYLYMNSA-N 449.511 2.165 30 10 IEEE Cn1cc(C#N)cc1C(=O)Nc1cnn(C[C@@H]2CCCCN2C(=O)c2cc(C#N)cn2C)c1 480805581 NVBJZNJHYBLFRK-IBGZPJMESA-N 444.499 2.251 30 10 IEEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCN1CCN(C(=O)C2CCC2)CC1 497454898 RKJWPERZVHCSDB-UHFFFAOYSA-N 436.478 2.300 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501528127 OCVHMJIPVBECLH-VXKWHMMOSA-N 448.571 2.061 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508490121 AXMBDNJEYMLEHD-LBPRGKRZSA-N 428.356 2.103 30 10 IEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 532730762 JNFDPGKGBRMWDW-SFHVURJKSA-N 437.548 2.009 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@H]3C2)n(Cc2ccc(F)cc2)c1C 544523889 LOXHGYMHGVTNLA-FQEVSTJZSA-N 425.508 2.119 30 10 IEEE COC(=O)c1sc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C(=O)OC)c1C 546223102 JWBCGZRMPPFHLW-UHFFFAOYSA-N 443.485 2.251 30 10 IEEE C=CCSCCNC(=O)C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 552194099 OJYADPUMJTVSSS-MRXNPFEDSA-N 433.578 2.280 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(C)C)CC1 559084233 UOBAYHPCNHDBLO-UHFFFAOYSA-N 435.576 2.361 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCN1S(C)(=O)=O 571742758 DLVNFYWRHNPZAL-KRWDZBQOSA-N 436.541 2.335 30 10 IEEE COc1ccc(Br)cc1[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O 583002558 QXJYHQLHAZWLQT-ZDUSSCGKSA-N 431.289 2.495 30 10 IEEE N#Cc1cccc(S(=O)(=O)CCN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 611089332 XJPXTEOORJIISO-NRFANRHFSA-N 433.961 2.337 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(C#N)cc2F)c(C)c1 611642950 BSAAKZLKOXQCAU-ICSRJNTNSA-N 445.516 2.063 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)c1F 669650688 MMHJWPBBAJJORD-MRXNPFEDSA-N 444.528 2.355 30 10 IEEE CCOC(=O)Cc1ccccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742676772 KDKVDRRSYCPOHN-CQSZACIVSA-N 429.498 2.248 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)c1 744628124 IXMYFZREJDUXSM-UYAOXDASSA-N 432.542 2.182 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CC2)c(F)c1 751150055 SYBFKUYJEOMIKN-UHFFFAOYSA-N 442.394 2.348 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCc3ccnc(O)c3C2)cc1 755224967 RSNWSNMEZTTXGX-PTGBLXJZSA-N 429.502 2.190 30 10 IEEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2ccc(C#N)cc21 757527094 NEWLNDCCZAXBEL-LJQANCHMSA-N 441.509 2.177 30 10 IEEE C=CC[C@]1(C(=O)NS(=O)(=O)c2ccc(OC)nc2)CCCN1C(=O)OC(C)(C)C 759799816 ASEMRLGUDGMBBL-LJQANCHMSA-N 425.507 2.241 30 10 IEEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2ccc(C#N)s2)c1F 761167282 FSYNCDMSIRULMC-UHFFFAOYSA-N 447.263 2.427 30 10 IEEE C#CCOc1cccc(-c2noc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1 761781493 FAWHYNKDLJTMCU-UHFFFAOYSA-N 428.426 2.178 30 10 IEEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 764505439 XDIDBFFHBXSACH-UHFFFAOYSA-N 434.518 2.304 30 10 IEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767749055 JWXVZMOVWDICSX-FBTPREFFSA-N 449.548 2.435 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O[C@H](C(N)=O)c3ccc(C#N)cc3)C[C@H](C1)C2=O 767758480 QDPCBSBVASOHOW-PHSGOXPASA-N 441.484 2.090 30 10 IEEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1C#N 768108812 RFBDGFDICCLQRT-UHFFFAOYSA-N 435.528 2.352 30 10 IEEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)/C=C/c1ccc(C)nc1 774025825 WOHAJJYSEJEKSB-JXMROGBWSA-N 432.436 2.326 30 10 IEEE C[C@@H](CC(=O)NCCc1cc(F)c(F)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 780013282 ROYXTELYHKMHLZ-NSHDSACASA-N 425.432 2.280 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(c3cc(OC)ncn3)CC2)CCCN1C(=O)OC(C)(C)C 790887450 AISKKZSRLVABOK-JOCHJYFZSA-N 431.537 2.480 30 10 IEEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 800961624 AVMIIEKQVAWDRP-UHFFFAOYSA-N 447.488 2.454 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)n1 802345373 RTLXVADETKOEFV-GOSISDBHSA-N 443.479 2.015 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)S(C)(=O)=O 802575666 SILCMMSKCMBPHE-UHFFFAOYSA-N 425.580 2.105 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)OC)c(Br)cc1C)[C@@H]1CCS(=O)(=O)C1 806741309 ZFTUZHWVTDBQLA-GFCCVEGCSA-N 443.319 2.198 30 10 IEEE CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(Cl)cc1 817090846 XZGYNRLVLQRINP-WMZOPIPTSA-N 435.933 2.253 30 10 IEEE CCOc1c(Cl)cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1OC 837817205 HNNMUFYUMDRNIT-HNNXBMFYSA-N 445.928 2.176 30 10 IEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@H](C)COC 1130890054 JDCVYCXIHGNSJO-MRXNPFEDSA-N 440.562 2.154 30 10 IEEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CCO1 1134267622 BAHPXGVUAURBNN-SFHVURJKSA-N 445.463 2.247 30 10 IEEE Cc1nsc(N2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)n1 1136782689 BRPYHEUXIMASRP-UHFFFAOYSA-N 428.367 2.417 30 10 IEEE CNS(=O)(=O)c1ccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1215356570 FRGFZHQLBMSWPN-UHFFFAOYSA-N 427.530 2.252 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1286305774 PHYVWRAZNFEUHO-GBESFXJTSA-N 446.596 2.229 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ncccc2C)c1 1286309577 SEHJLPPTAHGFIN-UHFFFAOYSA-N 445.527 2.224 30 10 IEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN/C(O)=C1/N=CC=CC1=O 1286370097 ZQBHUCXORDBWTG-XDOYNYLZSA-N 443.467 2.196 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1286387042 NCIRDEOQUBAVNA-FIKGOQFSSA-N 431.562 2.248 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCN(C)C1 1286458309 PTPILZDFKOTPQD-XMMPIXPASA-N 434.519 2.109 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 1286479950 YMZXTZJGUIOJJX-UHFFFAOYSA-N 443.979 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cn3ccsc3n2)CC1 1286493736 PMYLXSFNAFAZGF-UHFFFAOYSA-N 425.562 2.200 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286559766 AHLHKCUNPXKUGG-VQIMIIECSA-N 448.593 2.063 30 10 IEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286710733 CBPSIZBRJXDMKF-OAHLLOKOSA-N 440.470 2.381 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCCC[C@H]2C1 1286779113 FCICQHSUBSRUEP-HNNXBMFYSA-N 448.369 2.012 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCC2)C1 1286812216 KOMJWDSGRQKHST-INIZCTEOSA-N 431.562 2.356 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)C1 1288974965 JUXDMLJTZHTNBS-NRFANRHFSA-N 443.939 2.372 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)cc1 1289827394 GYPIRDKBXWOHNI-SIKLNZKXSA-N 442.589 2.332 30 10 IEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C 1298968746 CDDCPIAIUBSDFY-INIZCTEOSA-N 432.532 2.144 30 10 IEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1299633819 FJSUMYDZRDOQQH-HGHGUNKESA-N 446.577 2.406 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)C1=O 1300036796 GTBZYKRCEFWAEK-SFHVURJKSA-N 427.844 2.337 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)OC(C)(C)C 1300545649 SXXZCTZXZSBXGM-UHFFFAOYSA-N 425.537 2.127 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C 1300816430 NZQDMGXRWJVIBF-JJEOQYAHSA-N 426.517 2.398 30 10 IEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300997022 NLCVEGLBQBUALK-UHFFFAOYSA-N 426.546 2.180 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1301349064 JUOUXNUHJAVGHO-QFIPXVFZSA-N 438.576 2.139 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN(C)C(=O)OC(C)(C)C 1302244865 ZIKBUDFJRUWXOX-ULQDDVLXSA-N 436.557 2.465 30 10 IEEE C=CC1(CC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1302894177 GBSHWDAFRKLHAB-UHFFFAOYSA-N 435.546 2.032 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC(=O)N2CCOCC2)c1 1302987054 JQIYSZJRKZZFEP-KRWDZBQOSA-N 430.459 2.157 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC2(CCNC(=O)O2)C1 1304241057 NKPGAUJNPUWHBL-KRWDZBQOSA-N 426.473 2.103 30 10 IEEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC1CCOCC1 1306198382 KMMYUJROTFDNFZ-UHFFFAOYSA-N 425.537 2.019 30 10 IEEE CN(C(=O)CN1C(=O)c2cccc(Br)c2S1(=O)=O)C1(C#N)CCCCC1 1307407460 ZTEDCWICJKCBOX-UHFFFAOYSA-N 440.319 2.278 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)C1CC1 1316089221 BNYLRUPFQXINQB-XXBNENTESA-N 425.533 2.468 30 10 IEEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 1320084986 GFCVBZBIOYQSKJ-ZDUSSCGKSA-N 429.336 2.307 30 10 IEEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1325267354 CMCAXQZVIZOIPZ-LJQANCHMSA-N 440.523 2.429 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1358871159 AMOCNMCKVKLSBR-STQMWFEESA-N 427.933 2.381 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1358915515 FTOKYGBAOVNWBP-VGOFRKELSA-N 443.573 2.457 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1358919267 YAZIFVSAGFMUSP-UHFFFAOYSA-N 442.608 2.256 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358931905 SASWTYRQVVYLRG-LJQANCHMSA-N 432.532 2.075 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1NC(=O)CC1(C)C 1358994847 XQKFFTJZOKSUMZ-UXHICEINSA-N 433.512 2.168 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1CCCO 1359002507 BZJMKBVZVRYATG-INIZCTEOSA-N 435.370 2.342 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1359010658 VVRVVZVKFPSXGY-GHTZIAJQSA-N 425.533 2.218 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1359021238 HRIAZZJNCUJOAO-UHFFFAOYSA-N 440.592 2.066 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1359034774 CGJWEFXJCKCRJT-CEXWTWQISA-N 442.608 2.214 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 1359102325 AALCPFAPDDDRHR-SIKLNZKXSA-N 441.580 2.180 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2F)CC1 1359165830 YBFCEIFMTHRSJU-LJQANCHMSA-N 449.552 2.263 30 10 IEEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1441981106 APICRMKIUFZVBJ-INIZCTEOSA-N 429.521 2.126 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)cc1 1456063921 NNUYHRSXHKVFSF-ICSRJNTNSA-N 446.511 2.368 30 10 IEEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1465153856 DNJAJUABWRMQQU-SFHVURJKSA-N 447.605 2.146 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(C)cc2Br)CC1 1466102927 YZLQLYAKMXUIRO-UHFFFAOYSA-N 449.758 2.028 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)s1 1468305307 GIDGZIMTWZGFGG-STQMWFEESA-N 431.580 2.173 30 10 IEEE CC1CCC(NS(=O)(=O)c2ccc(N3CCN(C(=O)CC#N)CC3)c([N+](=O)[O-])c2)CC1 1472820056 AQHKJULGDNELTN-UHFFFAOYSA-N 449.533 2.014 30 10 IEEE CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1497613635 IKCQVNVMUDWUJG-LSGABVIPSA-N 440.504 2.378 30 10 IEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccc(NC(C)=O)nc1 1499153726 GCZCVCBUUYTGES-UHFFFAOYSA-N 430.516 2.440 30 10 IEEE CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1499600885 IJLBICNIXWOQPB-UFVMTTLYSA-N 428.537 2.325 30 10 IEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1499984885 ZOWFDXUEZRNAFR-CRAIPNDOSA-N 441.492 2.134 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1504026916 FNCGVUSPIZTCHO-JJEOQYAHSA-N 441.532 2.274 30 10 IEEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1505325124 FBFUOGGLDYWNNB-HNNXBMFYSA-N 442.911 2.112 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H](C)c2ccccc2)CC1 1507723510 KZLOAOYRGVEEDS-CTNGQTDRSA-N 436.560 2.152 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCc2nnc(C)s2)CC1 1507734036 PUCQEKHRPPZPOH-UHFFFAOYSA-N 429.594 2.334 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOC2(CCCCC2)C1 1508138261 ZEIZDFUIEVWYQN-UHFFFAOYSA-N 431.562 2.480 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cc(C)nn1C 1513024708 FKTDCPGLNCGCKF-NVXWUHKLSA-N 434.552 2.259 30 10 IEEE CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1514169370 RFSMCFBERFUCOQ-QBNCKDSPSA-N 442.545 2.072 30 10 IEEE COC(=O)[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H](OC)C1 1527246648 JFZMWGZODKJVDH-WCXIOVBPSA-N 425.526 2.437 30 10 IEEE N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)c2)cc1 1530253387 NXHARSXSCNLXOH-JOCHJYFZSA-N 426.494 2.167 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1539153638 HEENNVASOKCFKV-JOCHJYFZSA-N 446.573 2.034 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1C(F)(F)F 1539179114 NKVUTINYRHIKTN-ZDUSSCGKSA-N 430.427 2.456 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(C)cccc1C 1539416687 RSZWEHCQNUMBEZ-IBGZPJMESA-N 430.574 2.126 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(Cl)cc2)CC1 1539427370 CKKPWGWNGMXYEY-UHFFFAOYSA-N 442.951 2.002 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1539450356 DJVNRADKXOQSRW-IBGZPJMESA-N 436.597 2.393 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC)nc2)CC1 1539462308 SHKZPVRNERYXMC-UHFFFAOYSA-N 432.528 2.373 30 10 IEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539520668 VPKLOTXUXLIGTP-IBGZPJMESA-N 446.665 2.412 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539630228 DGEWUCUVBVDTKK-WDSOQIARSA-N 437.610 2.387 30 10 IEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539974659 SKPWIACSZSQTHL-JKSUJKDBSA-N 428.562 2.341 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)n[nH]2)c1C 1540851632 XHOJRMVSPCRVQP-UHFFFAOYSA-N 428.518 2.378 30 10 IEEE C=CCn1c(N2CCN(C(=O)c3ccc(C)s3)CC2)nnc1[C@]1(OCC)CCOC1 1540861116 CDGUNSXYKOQUSE-NRFANRHFSA-N 431.562 2.449 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540865638 MYLFEOSVNRLMRP-UHFFFAOYSA-N 430.509 2.063 30 10 IEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1540875827 YTZXPHZAMJCWCD-JOCHJYFZSA-N 443.573 2.177 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(C)(OC)C1 1540897880 UVXIMXQRUQHZKM-OAHLLOKOSA-N 438.525 2.383 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1542643411 SIZCDMRCYZDZJN-KRWDZBQOSA-N 432.521 2.321 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN3CCCC3)CC2)c1C#N 1543001128 DEZNKKYUDFPBLW-UHFFFAOYSA-N 425.585 2.128 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 1543489043 WAJJPXXMNYOKQS-CQSZACIVSA-N 434.459 2.491 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)CC(F)(F)F 1554289045 HEAJIZCGHHFDRY-UHFFFAOYSA-N 447.465 2.122 30 10 IEEE CO[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1554605212 IZHYHUGMNVRJBY-OAHLLOKOSA-N 438.561 2.262 30 10 IEEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1554967641 FNKBOOFLNVKMPJ-YJBOKZPZSA-N 426.521 2.376 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)NCCCc3nnc4n3CCCC4)CC2=O)cc1Cl 1556058244 HEQYQXQPWRICCW-OAHLLOKOSA-N 426.908 2.241 30 10 IEEE CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1558630783 QTVOBUMCJWRTKZ-QFIPXVFZSA-N 449.573 2.476 30 10 IEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@H]3C)c1 1561148670 SBGOELPSYOSXGT-OAHLLOKOSA-N 425.510 2.445 30 10 IEEE COC(=O)[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC12CN(C(=O)OC(C)(C)C)C2 1564630184 ZSCVLVYQPSKVDH-OFLPRAFFSA-N 434.537 2.368 30 10 IEEE C[C@H]1CCCN(C(=O)CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1565481025 FFUGRICPZTUABF-SFHVURJKSA-N 449.559 2.429 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1Cc2ccc(C#N)cc2C1 1570758459 QVBLCGQMPLQUJQ-IBGZPJMESA-N 445.928 2.287 30 10 IEEE C[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(I)cc1 1585296944 NXWZBEBFUKDJAI-PTGFTAGUSA-N 439.253 2.037 30 10 IEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)[C@H](C)O)c1 1586137852 HBJBGIPXXDQVKR-LIRRHRJNSA-N 438.933 2.193 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(C(N)=O)CCOCC1 1587668071 RITHGHHDHXSYFW-GOSISDBHSA-N 425.533 2.214 30 10 IEEE C#CCCCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1587793383 LFWBTTTYPMDVKE-XUZZJYLKSA-N 445.608 2.282 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCOC1 1588105174 OCKGIELWMDRQGH-HXUWFJFHSA-N 429.318 2.240 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 1588111295 QWBMMSLSZHQHTG-CEXWTWQISA-N 445.338 2.429 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCSC1 1588620241 QHTCKXWOFOGKSX-QFIPXVFZSA-N 425.558 2.391 30 10 IEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1593746698 LCNDSLSVJMMRFZ-QFBILLFUSA-N 427.505 2.050 30 10 IEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1594692725 DOUOZWHWIUNBPO-OAQYLSRUSA-N 431.562 2.277 30 10 IEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1594956537 NGSVULBZRAINNB-QFIPXVFZSA-N 434.585 2.081 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1594961921 GONMVKJYAYSOLK-IBGZPJMESA-N 426.546 2.096 30 10 IEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O)C1CC1 1595058437 LXWWEDGPVWZQQI-SFHVURJKSA-N 448.568 2.268 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1595171047 PIABMWQQNWZCAK-UXHICEINSA-N 427.597 2.458 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1595522373 CNEORQJZGINKTO-ROUUACIJSA-N 439.564 2.164 30 10 IEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595562082 NBAQMNOBSDJTMW-UHFFFAOYSA-N 440.523 2.024 30 10 IEEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c2ccccc21 1596984886 OYNMOGJJNJISKT-IQGLISFBSA-N 447.539 2.432 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1614343461 QHRJQGUXAGGOKD-SPEDKVCISA-N 441.488 2.394 30 10 IEEE CCN(CCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C 1615631708 HZUDMVCGIGNZOF-UHFFFAOYSA-N 440.552 2.437 30 10 IEEE CCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@](C)(C#N)C1 1617186047 VPJJWSVRLLXMBC-FQEVSTJZSA-N 431.566 2.405 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3nc(O)n(CC(F)(F)F)c3c2)n1 1618760003 WUPKTNUYSVWFNF-UHFFFAOYSA-N 435.406 2.423 30 10 IEEE CO[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619504380 TYOSBWCXVCHOGE-JVMRMLDLSA-N 442.545 2.072 30 10 IEEE C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1620311023 XDHSIHZMRYZGPI-WBVHZDCISA-N 440.552 2.363 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2ccc(C)cc2Cl)s1 1625817198 CSCBOSWDHDTTQH-UHFFFAOYSA-N 441.962 2.472 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](CC)(C(=O)OC)c2ccccc2)c1 1629770341 PTJSUOCICOJUFR-JOCHJYFZSA-N 430.526 2.402 30 10 IEEE C=CCOC[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21)C(=O)OC 1635158473 BNUQIZXTYFHQGH-UZUQRXQVSA-N 448.516 2.222 30 10 IEEE C=CCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1OC 1643303778 OCADDBDSAJHZNH-FNORWQNLSA-N 429.517 2.306 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1647738427 WLLUQDAJVUJSEO-NRFANRHFSA-N 432.609 2.123 30 10 IEEE C=CC[C@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1648409421 IREQVQYKCXKPQV-IBGZPJMESA-N 433.574 2.094 30 10 IEEE COC(=O)CN(C)C(=O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1654967629 AFCRSHJOSSLTFU-RKDXNWHRSA-N 426.304 2.111 30 10 IEEE C#CCC1(NCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCC1 1660283533 FTMCKPKPVXEDLB-UHFFFAOYSA-N 437.544 2.104 30 10 IEEE CS(=O)(=O)Nc1cccc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1676751231 ABNOBFZCEMNQRC-UHFFFAOYSA-N 441.557 2.394 30 10 IEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1689984580 RCLXBTUULKAOIH-HKUYNNGSSA-N 441.582 2.197 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(S(C)(=O)=O)CCC1 1690005053 PXPNQEPNZYERDT-UHFFFAOYSA-N 448.552 2.375 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1-n1ccnc1 1690030346 SGLNUUSTEJAZNJ-UNMCSNQZSA-N 430.512 2.309 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690172825 PAEQJNOVQGSXJD-UHFFFAOYSA-N 439.589 2.123 30 10 IEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690311477 LQCQHTCRZLAKRU-JOCHJYFZSA-N 446.640 2.370 30 10 IEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690316293 CMUFBWZOARYMIN-SFHVURJKSA-N 430.553 2.076 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1690534724 JJZKEDREDCHSJM-KRWDZBQOSA-N 448.568 2.221 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1690571646 FDVVAZXZQAYCMK-QGZVFWFLSA-N 444.536 2.294 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1690667619 BJJKGQJIYIJNGG-UHFFFAOYSA-N 438.507 2.289 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(Cl)cccc2C1 1690722713 SOYYRRJCMBYNRK-UHFFFAOYSA-N 446.964 2.496 30 10 IEEE CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C#N)o2)C1 1693892763 XIUKMCJGMQTVPQ-MRXNPFEDSA-N 441.536 2.204 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1698060624 DLTHQWRZOHKZDW-HXUWFJFHSA-N 446.596 2.184 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCn2ccnc2C1 1705590213 FMTHZYODCFOZFA-RDPSFJRHSA-N 436.560 2.241 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1705637977 SXQZHZIIKHYCRS-QFIPXVFZSA-N 437.935 2.051 30 10 IEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705690727 FRACYUZADFZHGK-GASCZTMLSA-N 425.258 2.466 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705706184 QPTINMNKFJMWGM-CUWPLCDZSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)CC1 1705740565 PLBDICINNNWJGM-UHFFFAOYSA-N 431.562 2.498 30 10 IEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCO[C@@H](C)C2)CC1 1705784078 GPICRXCLNWKVOL-IBGZPJMESA-N 430.597 2.304 30 10 IEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705826336 BMLMVCAOZLASHS-LJQANCHMSA-N 449.353 2.345 30 10 IEEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1705850731 GHJYGBXJQXQLDP-UHFFFAOYSA-N 437.953 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nnc(C)s2)C1 1705916707 MWQNPGJFQOBBOR-OXJNMPFZSA-N 434.566 2.308 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccccc1F 1705928798 UXGKZUJKECOOHZ-OAHLLOKOSA-N 437.541 2.354 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)C1CC1 1710568361 BGNXNEGMLJYMGX-PKOBYXMFSA-N 440.548 2.467 30 10 IEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C 1712451776 DXDAIGIEMGAECB-SFHVURJKSA-N 431.585 2.001 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1712622836 VLCXGTLRAXSORN-CMXRIWHBSA-N 433.553 2.469 30 10 IEEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)N1CCOCC1 1722345499 ZVIMNHJAJRGVJO-UHFFFAOYSA-N 436.541 2.305 30 10 IEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1722350530 BTGSDGQZYJCWJH-LBPRGKRZSA-N 443.360 2.064 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722367485 WJTWTTMUSOTMNR-PKOBYXMFSA-N 446.548 2.061 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccc(C2OCCO2)c1 1722425598 FMGYCXGTBYDUHE-UHFFFAOYSA-N 433.512 2.444 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cnn(C)n1 1722427929 VDZKHYCOSIIYPX-RTBURBONSA-N 429.569 2.044 30 10 IEEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1722515232 KJRNJBVTHLEPQQ-UHFFFAOYSA-N 444.561 2.167 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1722696849 FRRBKQCEJSSVLZ-ZIAGYGMSSA-N 439.545 2.226 30 10 IEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723021529 SUTIBICJPSKJAE-MUKKYZEKSA-N 428.537 2.323 30 10 IEEE Cc1nnsc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1724133225 GHUKZWWBJZXOIN-LBPRGKRZSA-N 431.547 2.153 30 10 IEEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1725731072 ADWRJUWDYLSNEX-LJQANCHMSA-N 439.545 2.035 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2C[C@@]2(C)CN(C)C2=O)n1 1726028564 XWHBLHRMBSFPDC-JOCHJYFZSA-N 426.569 2.384 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1727212853 COSJFUURZQLIKM-RJCBAWPRSA-N 443.552 2.102 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1727229617 GKPTVYVAZHJTLY-BOCKYXSRSA-N 445.612 2.436 30 10 IEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@H](C)O1 1727800238 GFFHGLPGIDHYSF-PXNSSMCTSA-N 438.532 2.069 30 10 IEEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1729337917 GUMHXNHDMWAKJY-GCJKJVERSA-N 428.512 2.213 30 10 IEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1730269949 WQWXPQWMKMNEAS-KRWDZBQOSA-N 437.504 2.072 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1740557627 PMNLPGXVVAZANV-MRXNPFEDSA-N 427.530 2.011 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740620247 CNNPRFRXPQGTJG-PXNSSMCTSA-N 445.564 2.051 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740622305 WZGFCASVHTZWQL-SJORKVTESA-N 446.598 2.334 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1740704987 ZYNGUTVFJFXBSI-FQEVSTJZSA-N 437.592 2.359 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)nc32)CC1 1740833946 ZNCZXDNKGFCJMI-SJLPKXTDSA-N 447.609 2.373 30 10 IEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C)C1CC1 1740906253 HGQIZSODESNHTB-UHFFFAOYSA-N 425.537 2.191 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C[C@@H]1CCCO1 1740957381 LWTUXFFVQUUIEE-FQEVSTJZSA-N 435.532 2.438 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)C1 1740979325 CXCPJNHNPNVUPB-VLOYRQLPSA-N 438.594 2.167 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](OC)C(F)(F)F)C1 1740984321 ZTPHFLNGYLAXJL-GJZGRUSLSA-N 431.459 2.149 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2ccn(C)n2)CCOC1 1741727380 KKSDGNMSOWOBSM-FCHUYYIVSA-N 427.553 2.425 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741985470 YJADGSGTHAIHEW-GKEISQTQSA-N 439.520 2.176 30 10 IEEE Cc1nc(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2Cc2ccc(C#N)o2)cs1 1742586219 XTNSLXAYLLXZIQ-UHFFFAOYSA-N 439.545 2.451 30 10 IEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C)S(C)(=O)=O 1746311767 AEHPMVQYALJMHS-QGZVFWFLSA-N 446.577 2.389 30 10 IEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNC(=O)C(C)C)c1=O 1746358296 AISVQPFBTWVWFW-UHFFFAOYSA-N 447.543 2.255 30 10 IEEE CN(CC1CC1)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747818625 QXXJMRWFUKLLFH-HTXNQAPBSA-N 427.896 2.366 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1748666993 LJDRFUYTHHLXIP-QGZVFWFLSA-N 449.559 2.391 30 10 IEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 1748709897 AGURCFQDDKWPQD-NRFANRHFSA-N 442.608 2.362 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(N)=O)cc1 1748790778 MDBJDIVRHKZPAK-UHFFFAOYSA-N 445.531 2.060 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748802623 QKDPDFJOGLMLJW-LJQANCHMSA-N 435.638 2.468 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1748818377 ZFYXKRACXLNULF-SJORKVTESA-N 434.587 2.217 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC1(C(N)=O)CCOCC1 1748944046 JUTYYZWMQMTOSI-UHFFFAOYSA-N 448.502 2.401 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1749650118 KICDNXWRGMNFRT-BQFCYCMXSA-N 431.541 2.017 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(F)(F)F 1749998293 TVTOSADOEGQRFD-AWEZNQCLSA-N 439.442 2.158 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1751090471 DYEZWXSNFCZKCG-LHEBDHONSA-N 441.565 2.206 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1751094258 GUZFBMNBYPSZPV-CVEARBPZSA-N 443.556 2.308 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760122045 GSXFMPVARUFIEY-BZSNNMDCSA-N 444.605 2.227 30 10 IEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760146211 GMWNROJBZKFTNS-INIZCTEOSA-N 432.322 2.072 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760154604 GVGMRTQOPYLKPQ-SJORKVTESA-N 447.536 2.176 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1760188706 LUPQWSNKIGCQKZ-SFHVURJKSA-N 439.541 2.265 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1760218120 XZMJORSXYKYEEE-UHFFFAOYSA-N 425.558 2.289 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCS(=O)(=O)CC1 1760229705 BNPSQMWTWNORMF-UHFFFAOYSA-N 430.530 2.001 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2nc(C)c(C)s2)CC1 1760268682 VRWICLKHDSKWLU-UHFFFAOYSA-N 437.573 2.371 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760355863 YSTLCECZZAJFAS-NRFANRHFSA-N 439.608 2.457 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760356452 NXKAFLAQLLHHPK-BGYRXZFFSA-N 444.624 2.375 30 10 IEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760356454 NXKAFLAQLLHHPK-WOJBJXKFSA-N 444.624 2.375 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC(=O)N1 1760482601 ZPRQCGFUCAKYHV-XXBNENTESA-N 425.533 2.401 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760517613 RXJKNQIAOBYIIO-GOSISDBHSA-N 449.471 2.208 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760524108 PMUVCNXIXZMIAP-OAQYLSRUSA-N 449.559 2.016 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](COC)C1 1760556388 BYWLPTJIIINWGU-LJQANCHMSA-N 433.578 2.118 30 10 IEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1)S(C)(=O)=O 1760702315 RDBWCVUUXFCHDV-JTDSTZFVSA-N 429.546 2.420 30 10 IEEE CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1763381301 VUAXBBQZRJEPMA-QHCPKHFHSA-N 432.532 2.018 30 10 IEEE CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1)OC 1763441418 ALLWENNKVFZDFE-YLJYHZDGSA-N 440.548 2.173 30 10 IEEE CCCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)c(C)n1 1764024253 ADGNAQAQPWJVAQ-UHFFFAOYSA-N 432.532 2.496 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1765958158 VXPCCUQHWVGXCY-QGZVFWFLSA-N 425.537 2.082 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1767699060 DXCNKNLJSOERMP-UHFFFAOYSA-N 449.490 2.274 30 10 IEEE COCC[C@](C)(O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769570664 BQOVLWXWMGNVNA-FDFHNCONSA-N 435.569 2.236 30 10 IEEE COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1769713772 UWROEDYRBYVEQR-LJQANCHMSA-N 447.499 2.411 30 10 IEEE COC[C@@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1770786761 PKDAVSCJNVMTFM-XOBRGWDASA-N 437.447 2.397 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1771030583 WPILBZRKTHXBJV-PMACEKPBSA-N 438.532 2.403 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C 1771112041 DVEBYFABUZIIEX-CVEARBPZSA-N 441.623 2.078 30 10 IEEE C#CCSCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 1850464291 HPNJDQILQHXUSI-NRFANRHFSA-N 441.597 2.065 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 1850574454 DZMZOYVEGLJYJG-OAHLLOKOSA-N 427.867 2.447 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)[C@@H]3CCCCO3)c3ccccc32)cc1 1854478651 IKBPXQCQZGODHO-IBGZPJMESA-N 425.466 2.196 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)cc1C 1854928541 LTJOAYCXTBVHGD-QGZVFWFLSA-N 425.510 2.166 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H](F)CC3CC4(CCC4)C3)C(=O)O2)CC1 1856671493 DYCLRAQWARQODH-IRXDYDNUSA-N 441.525 2.208 30 10 IEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@@H](C)O)ccc1O 1862574534 LQDZYFSGTXJUBK-ODXCJYRJSA-N 443.452 2.377 30 10 IEEE C=CCN1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169439 ARWYZDDKVIRUQP-UHFFFAOYSA-N 434.540 2.282 30 10 IEEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873217633 KOSVWQJTJSHRJW-UHFFFAOYSA-N 446.507 2.481 30 10 IEEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873673184 ZSVRUVFAQWUTDJ-UHFFFAOYSA-N 444.499 2.448 30 10 IEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccc(O)c1 1874434440 FNQBCCUJHFDJGX-AUEPDCJTSA-N 449.496 2.443 30 10 IEEE C[C@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)n1nc(-c2ccccc2)ccc1=O 1891416510 ZDCWJQLCKTWDMI-SJLPKXTDSA-N 430.468 2.203 30 10 IEEE C=CCC1(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1993235544 OFRWYPAQKCCHES-LSDHHAIUSA-N 425.526 2.039 30 10 IEEE C=CCC1(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2015901650 SCJOWYUQFYNGRM-JOCHJYFZSA-N 439.553 2.288 30 10 IEEE CC(C)(C#CC(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2023912289 GYSUTBDCVYAJRB-QFIPXVFZSA-N 439.553 2.171 30 10 IEEE COc1nc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2132368449 LJVFBXUKEPQULS-AZUAARDMSA-N 436.365 2.495 30 10 IEEE Cc1cc(C#CCN)ccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2146010696 TVHJCPPTJDCSGQ-UHFFFAOYSA-N 425.510 2.123 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H]3CCO[C@]3(C#N)C2)CCN(Cc2ccccc2)C1 2221951406 USPMHSMGCAEPKL-CTUHWIOQSA-N 440.544 2.297 30 10 IEEE Cc1ccc(S(=O)(=O)N(CCN)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2247951190 HSFNFUQVRIBWLE-UHFFFAOYSA-N 430.379 2.444 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248398110 QASVSXZKWXTKGK-AWEZNQCLSA-N 437.371 2.458 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248401711 MWYKTLRDUKSGMK-CYBMUJFWSA-N 437.371 2.316 30 10 IEEE CC1(C)OB(c2ccnc(NCCn3cc(I)cn3)c2)OC1(C)C 2254789944 HCRJPQILUJCEMU-UHFFFAOYSA-N 440.094 2.294 30 10 IEEE Cc1ccnc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255637152 AHVLAINBMZQFHC-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255703375 RIFNASPJMKEXST-NEPJUHHUSA-N 430.232 2.108 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCOCc1ccccc1 2255795269 ULAIKZWKLHRWCA-UHFFFAOYSA-N 447.362 2.490 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c1 2255820735 APKCQTNQKFEGLT-UHFFFAOYSA-N 432.326 2.344 30 10 IEEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)[C@@H]3CCOC3)c2)OC1(C)C 2255950252 JUVPSILGSKLIIS-LJQANCHMSA-N 444.362 2.361 30 10 IEEE CC1(C)OB(c2cc(N3CCC(CNC(=O)C(F)(F)F)CC3)ccc2N)OC1(C)C 2256024049 VLHOWJQOOHIUCQ-UHFFFAOYSA-N 427.276 2.463 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 2267182085 BBCJAOZVIBWSTJ-UHFFFAOYSA-N 448.373 2.239 30 10 IEEE CO[C@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)COCc1ccccc1 2267188999 UJMFCZPMUPDXCN-HSZRJFAPSA-N 443.353 2.071 30 10 IEEE C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267213988 KEHQAHLAKFUGHI-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2267502504 OSCDYICARFCSCS-QFIPXVFZSA-N 448.373 2.096 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267520633 ONXDPMSFQUKUMB-MZBDJJRSSA-N 446.357 2.084 30 10 IEEE COC(=O)C1(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267818243 YNFZMIKECDYBQK-UHFFFAOYSA-N 447.341 2.142 30 10 IEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271373302 MIFBOKMZAYPVCV-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE C=CC[C@]1(CO)CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2287700401 UMGJFYDORVWIIC-LEWJYISDSA-N 438.521 2.134 30 10 IEEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCC(=O)N[C@@H](C)CO)ccc2C1=O 2297475661 ISDMRJLFXUEZDQ-ZDUSSCGKSA-N 443.452 2.204 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2307106268 LJEWUSJCCAPXTB-AWEZNQCLSA-N 441.525 2.426 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337203568 ZMGSHMFGDSNWCR-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337293127 YZJOMPUUMQVQBY-AWEZNQCLSA-N 448.373 2.047 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](O)[C@H](CNC(=O)OC(C)(C)C)OC 2352140347 LGMJRQFIHQWSPD-IXDOHACOSA-N 427.339 2.289 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 429008017 XBHBBGLTYFPRMU-JOCHJYFZSA-N 434.544 2.076 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1C1CC1 443549841 HRKVRKGJPALOIT-UHFFFAOYSA-N 446.507 2.227 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4nc(C)c(C#N)cc4Cl)CC3)C2=O)n(C)n1 461953353 BFJUJJMPRMECMC-SFHVURJKSA-N 427.940 2.275 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CN2CCCCCC2)C1 481436580 TUBUDQNJVWODQY-QUCCMNQESA-N 432.590 2.340 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)CCSc2ncnc3sc(C)c(C)c23)CC1 506085731 LYJSXXKTDPSOEF-UHFFFAOYSA-N 433.603 2.237 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3N3CCN(C(C)=O)CC3)cc2C1=O 506170090 IEQKYGLARMEAFN-UHFFFAOYSA-N 446.507 2.067 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508935233 MSDSEKGRBHSUQP-UHFFFAOYSA-N 432.532 2.004 30 10 IEEE CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 539502965 CQWCIPPVSLIKIQ-OAHLLOKOSA-N 447.565 2.226 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 540603749 NSAHAWZQFXTSOK-CQSZACIVSA-N 434.522 2.167 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1-c1ccccc1 555579796 NUHKIJYPFQSPHJ-UHFFFAOYSA-N 432.530 2.066 30 10 IEEE Cc1nsc(N2CCN(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4)[C@H]3C)CC2)c1C#N 558609847 JTSWZTDTRVRHFR-LPHOPBHVSA-N 438.557 2.344 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 569763585 HSBRXUREBKNLQI-OAQYLSRUSA-N 428.558 2.498 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CCC1 575240524 OXRKXTCPZAYPOI-UHFFFAOYSA-N 449.511 2.227 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 612230414 WKHDEYVQOOIBTE-LJQANCHMSA-N 447.495 2.356 30 10 IEEE C[C@@H](c1cccs1)n1c(=C(C#N)C#N)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 726584267 PNRKQRTVTRFEQO-AWEZNQCLSA-N 430.518 2.188 30 10 IEEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730137686 HAPODZWTWLOVAQ-MRXNPFEDSA-N 428.505 2.001 30 10 IEEE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)cc1 732663951 IMNYCIJIUQGKJR-LJQANCHMSA-N 440.525 2.308 30 10 IEEE COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732664843 PSXJRUNRFFLNRP-KRWDZBQOSA-N 440.525 2.308 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(-c4cscn4)c3)CC2)o1 745606501 MAMZVLOHBVYWFL-UHFFFAOYSA-N 437.481 2.484 30 10 IEEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)c1 748096348 VOHZVSJEKIPVHL-LJQANCHMSA-N 443.573 2.233 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C)c(C)c2)C1 760296939 SFOMDXVZTCNXQK-IRXDYDNUSA-N 431.562 2.175 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)cc1 762999019 CUZYGAHSYCDSBH-FQEVSTJZSA-N 431.489 2.356 30 10 IEEE N#Cc1cccc(NC(=O)COC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)c1 768045973 DCGPDCYVTARNMV-UHFFFAOYSA-N 432.305 2.499 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 777760372 OCAOCFKMHDFQSP-AEFFLSMTSA-N 428.537 2.430 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 781444733 MZMWUQNNYPRKBY-VHEBQXMUSA-N 436.390 2.383 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCc1ccccc1 783944156 DGVJRNKLMUOXEQ-UHFFFAOYSA-N 429.530 2.426 30 10 IEEE Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)nnn1Cc1ccc(F)cc1F 791875236 ASYMOSRFWCQHDH-UHFFFAOYSA-N 437.472 2.447 30 10 IEEE CC(C)(C)OC(=O)N1[C@@H](C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)COC1(C)C 792962725 NUYAGRJMRUQSQZ-AWEZNQCLSA-N 439.538 2.292 30 10 IEEE CN1CCC2(CC1)CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 816644354 KKWHKUQEGBDCHW-UHFFFAOYSA-N 432.590 2.230 30 10 IEEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC12CCCC2 1124852533 FESDRABFBLXWJS-IBGZPJMESA-N 427.448 2.411 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1 1140896106 LURXPYOHEFZTIA-LJQANCHMSA-N 425.554 2.192 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 1142674624 LAXHXFPEVVJFPU-JOCHJYFZSA-N 438.549 2.447 30 10 IEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)CC1 1151290379 OAWCVYNSRBLIHX-SJLPKXTDSA-N 433.530 2.025 30 10 IEEE C=CCCC[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OC 1155475779 SPIQSOQUHFBVSI-SBUREZEXSA-N 425.485 2.142 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 1156164217 RSWYQSRSCCYINY-OAHLLOKOSA-N 437.990 2.343 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 1162079742 FSQDXPPMYUGYPJ-PKOBYXMFSA-N 447.557 2.070 30 10 IEEE C=C[C@H](CO)NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 1174800506 YVICHMPCHTXWRD-ZCWPUFOUSA-N 431.558 2.273 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1253003633 DEJUKBYTWFBPBA-UZLBHIALSA-N 445.564 2.095 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)ccc1F 1275884002 FVTALDFFZMMYGA-UHFFFAOYSA-N 437.459 2.389 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1286391810 GLSGPICLVFLORC-LJQANCHMSA-N 442.589 2.072 30 10 IEEE C#CCN(c1nnc(CC)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1286395024 QFLMAHFRXALFBD-OAHLLOKOSA-N 435.619 2.464 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCn2cnc3ccccc32)CC1 1286493599 FACOVGRSWHQMFZ-UHFFFAOYSA-N 449.559 2.220 30 10 IEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286597670 ZVUJHQXZUTWJSC-KRWDZBQOSA-N 428.468 2.045 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1286764262 KFJJZGWEEFLWPM-XMSQKQJNSA-N 444.605 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)c2ccccc2)C1 1286799760 AAJOPFLMUVLFOD-PKOBYXMFSA-N 431.562 2.383 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)C1 1286807272 ADYLQMJAHLZBNB-IBGZPJMESA-N 433.516 2.223 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCc2c(ccnc2N(C)C)C1 1286816972 JLNDVZNYOQYBTM-INIZCTEOSA-N 432.594 2.416 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286819139 BHYIRCDBXPGRGJ-IRXDYDNUSA-N 447.561 2.327 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1288513147 CCBSCJWJTMXQES-DZGCQCFKSA-N 437.957 2.156 30 10 IEEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)C[C@H](C)O1 1291290460 ACSVLZWBXYDDSI-ROUUACIJSA-N 426.569 2.308 30 10 IEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1295017142 HQZMUVNOTXRRBB-INIZCTEOSA-N 446.577 2.150 30 10 IEEE CN(C[C@H]1CC=CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1298499173 CCMGZBRTKXZMPH-PGRDOPGGSA-N 441.557 2.159 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 1299136076 OSOOBVRKUIKEGP-GOSISDBHSA-N 437.562 2.296 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C[C@H]1O 1299412443 MZEDAOSRGJOYTP-BHIYHBOVSA-N 441.557 2.320 30 10 IEEE C#CC1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 1299849572 XMPUAIDEEYGPJC-UHFFFAOYSA-N 426.494 2.379 30 10 IEEE COc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)c1 1300360436 CXTNGHZQFVFCQW-UHFFFAOYSA-N 432.550 2.023 30 10 IEEE CN1C(=O)[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)Cc2ccccc21 1300636677 QRDXWVODWZYLJM-NNZNXZITSA-N 438.528 2.477 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CCC2)CC1 1300701418 SDFCEZIIZBQANP-HKBQPEDESA-N 447.555 2.204 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCOC[C@@H]2CCOC2)CC1 1300722004 FSYXZTCCHLCWFT-IBGZPJMESA-N 443.592 2.345 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301159503 AFJOZJXVSDFOMQ-QZTJIDSGSA-N 430.553 2.102 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCOC1 1301422639 RHLKDUADKZMTQV-JOCHJYFZSA-N 425.489 2.390 30 10 IEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1301454498 ZLOHTGZAFWVRMP-UHFFFAOYSA-N 444.561 2.122 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1301490997 BUDSXHINMIDUNX-UHFFFAOYSA-N 428.512 2.270 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)C)CC1 1301502355 GDOQTJGMNXUFHC-FQEVSTJZSA-N 440.548 2.060 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301545881 MVVKRKVNNGDLAV-GDBMZVCRSA-N 437.953 2.210 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1301568279 QJPLPHACHOEAHX-HKUYNNGSSA-N 445.589 2.400 30 10 IEEE COCCN(CCC#N)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)CC1 1301806254 AARVLJHMYKDLBH-UHFFFAOYSA-N 431.566 2.405 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(CC3CCCC3)n2CCNS(=O)(=O)c2ccccc2)C1 1302981989 COLJMUZDVFFZNN-NRFANRHFSA-N 446.552 2.431 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)CC1 1303000195 BZOHSVVBPINQBV-INIZCTEOSA-N 433.509 2.138 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](CO)C[C@H](O)c1ccccc1 1309371547 ICBPDUFHLNKHAI-HOTGVXAUSA-N 425.304 2.084 30 10 IEEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1313486209 SROXQXQELPJBQQ-HXUWFJFHSA-N 437.548 2.244 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)COC)C1 1314976576 IBUHSDOJFUHZAU-HSZRJFAPSA-N 440.548 2.364 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(Cc4cccc(C#N)c4)o3)CC2)cc1 1329269723 HVNJXDAHHKVUNW-UHFFFAOYSA-N 437.525 2.347 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1358913051 DWVDDVKBCKDKJH-GOSISDBHSA-N 435.594 2.185 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1358936535 PXEADUGHQRVXLH-LJQANCHMSA-N 443.573 2.362 30 10 IEEE C#CCN(c1nnc(CC)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963211 DMCNJMNNYVCVCE-TZIWHRDSSA-N 443.617 2.378 30 10 IEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCOC)cc1 1358976481 GAPCXOLQTFMHKN-UHFFFAOYSA-N 447.495 2.152 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCOCC)CC1 1359035673 AWNBLXKRZBHDEQ-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359082210 BZMDZGCVSVOGFA-HIFRSBDPSA-N 426.359 2.432 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2ccc(C)o2)nnc1[C@@]1(OCC)CCOC1 1359305894 PZSKDJLGEGTWGK-VGOFRKELSA-N 429.521 2.475 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)C(=O)NC 1359328710 MEZHBNDGKHEWMK-HNNXBMFYSA-N 445.545 2.110 30 10 IEEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1442474927 SOYJZTNHEAWJLQ-UHFFFAOYSA-N 430.486 2.430 30 10 IEEE COCCOc1ccc(-n2nc(C)c(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)n2)cc1 1452950875 YWGCEPYOHHNAGQ-OAQYLSRUSA-N 435.484 2.278 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1454281824 HUQWGQHISNOGFJ-ZACQAIPSSA-N 442.582 2.083 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 1466804106 BFRBKUZOYOWHCF-UHFFFAOYSA-N 444.926 2.202 30 10 IEEE C#C[C@@H](NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1)C1CCOCC1 1479009922 WAYOEQAEBBHAMC-OAHLLOKOSA-N 439.463 2.167 30 10 IEEE CN(C)CCOc1ccccc1N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1479158517 INLJCKYJJJPMLZ-JOCHJYFZSA-N 433.556 2.498 30 10 IEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1502981588 AYGKXQHVQNUCMO-HXUWFJFHSA-N 438.532 2.260 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)cc1 1504306011 HZIBPMSSNKBZEG-UHFFFAOYSA-N 445.545 2.183 30 10 IEEE COCC[C@@](C)(O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1504761099 DBOIMPFUIVALAD-YADHBBJMSA-N 435.569 2.236 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Cl)cn2)CCO1 1505321260 LULWQCKGJIGATO-INIZCTEOSA-N 428.840 2.132 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCNC(=O)c2ccco2)c1 1507547359 KUAFLTJSRDANCT-UHFFFAOYSA-N 434.500 2.481 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1507572476 KUQBQTUKHMWHDG-GOSISDBHSA-N 437.548 2.472 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N[C@H](C)CC 1507700450 QPMGHHVIMDKAKB-APWZRJJASA-N 440.523 2.313 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N3CCOC3=O)cc2)n1 1507717188 QFVNCGBDRWVKDS-UHFFFAOYSA-N 449.515 2.074 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOC2CCCCCC2)CC1 1507719049 LLZWRDVZWPTTPW-DEOSSOPVSA-N 445.608 2.425 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1507733464 ZMMFEWASVOSRMM-RBUKOAKNSA-N 446.596 2.215 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1507771863 FIKOHMZGEYVCMF-SIKLNZKXSA-N 433.622 2.294 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507800561 OBMRSUCNUFSBPY-LMMKCTJWSA-N 446.577 2.120 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1507925255 CFWWNZMEUAGFRH-INIZCTEOSA-N 447.609 2.268 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCOCC2)C1 1508111746 IGMRKXKNUSOZMO-IBGZPJMESA-N 427.549 2.457 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1509949110 RXWDUDKJTGLRKU-HRCADAONSA-N 433.557 2.265 30 10 IEEE C#CCOc1ccc(COC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 1515069639 HHHMQLJBGUJHMF-UHFFFAOYSA-N 442.537 2.202 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1518816861 FVHGWHQQMQOUCD-UHFFFAOYSA-N 434.422 2.278 30 10 IEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CCOCC1 1519914753 FOFXHMMUWCFOEN-HNNXBMFYSA-N 428.562 2.429 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccncc4)n3CCCCCO)CC2)nc1 1521102058 MTELKLFXFIYYKG-UHFFFAOYSA-N 432.532 2.020 30 10 IEEE N#Cc1ccc(OCC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1Br 1521128174 HYHQOTZQSCAFNY-HNNXBMFYSA-N 435.322 2.496 30 10 IEEE C=CCn1cc2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)cc2n1 1536229814 KKNSQXLEECBCFX-UHFFFAOYSA-N 426.498 2.496 30 10 IEEE Cn1ncc2c(O)nc(CCC(=O)Nc3ccc(C#N)cc3I)nc21 1538266096 DHYCWXFCJVSCHJ-UHFFFAOYSA-N 448.224 2.116 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC(OCC)C1 1538972686 JNZQSQXDNMZXJZ-VZDIAYEVSA-N 436.354 2.434 30 10 IEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1539063776 UXKOGBMJDOKFMM-NHCUHLMSSA-N 438.624 2.477 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(C)nn(C)c1C 1539332326 MVJYHUMLDDKKQT-UHFFFAOYSA-N 426.528 2.378 30 10 IEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1[C@@H]1C[C@H]1CF 1539401000 PGURTKARMOBIHS-JKSUJKDBSA-N 434.541 2.163 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OCCOC)CC1 1539447763 VTRJYKAWAFRJNL-NRFANRHFSA-N 439.560 2.001 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)CCOC)CC1 1539459594 LFSLATCSAIBRDO-DEOSSOPVSA-N 441.576 2.017 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1539559147 WMFKWXHWSMOFHH-JOCHJYFZSA-N 443.498 2.421 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539750915 DPABPDCSPPQACI-MRXNPFEDSA-N 431.497 2.321 30 10 IEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2ccco2)CC1 1539874175 BQDHHIXGGLUJCM-JOCHJYFZSA-N 429.521 2.356 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(Cc3ccccn3)CC2)C1 1540564493 UZCLJPGPSTYTAZ-UHFFFAOYSA-N 440.345 2.496 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1540915461 LSMVLSMWHNRWQN-QGZVFWFLSA-N 434.610 2.232 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CS(C)(=O)=O)CC1 1541107215 GWSXJPRUIKHDFO-AWEZNQCLSA-N 432.506 2.274 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1542284429 JMLPETMDJLGPPQ-HKUYNNGSSA-N 438.532 2.117 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 1544540638 JUDVLWMLUJNZMC-LSDHHAIUSA-N 438.322 2.398 30 10 IEEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCCCO)cc1 1554867531 QBVQNLVXZFHHPA-LJQANCHMSA-N 442.589 2.246 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC[C@@H]2CCOC2)CCO1 1555995366 PBZSMKJRYLDUDS-LEWJYISDSA-N 425.533 2.235 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1C 1557919236 XQMFLDXIQXADLB-QFIPXVFZSA-N 426.542 2.451 30 10 IEEE COC(=O)[C@H]1CN(C(=O)/C=C\c2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1558546978 XLHWFRWJNOWMEA-HJCTWCACSA-N 425.485 2.440 30 10 IEEE Cc1cc([C@@H](CC(=O)N[C@@H]2CCCN(O)C2=O)NC(=O)OC(C)(C)C)cc(Cl)n1 1569675968 LTXQAZFRPGMRRJ-ZIAGYGMSSA-N 426.901 2.496 30 10 IEEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCC[C@@H](OC)C1 1585224968 GNHWJGKPTZVNKQ-UNFPFYSMSA-N 447.919 2.428 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@]2(O)CCO[C@@H]2C)c1 1587692480 FQNMAHYPKMKKCT-UZUQRXQVSA-N 425.533 2.073 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1587765115 ASZXKRKRFUQZMB-HXUWFJFHSA-N 444.605 2.405 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1588473129 LOYRETORKHKWGS-KRWDZBQOSA-N 426.496 2.343 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(NC(C)=O)cc2)CC1 1588848396 DLXZISCAZMBHBX-UHFFFAOYSA-N 429.528 2.026 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1588858104 XRVPVVFOHCGTFM-SFHVURJKSA-N 430.597 2.489 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2CC2CCN(Cc3ccccc3)CC2)CC1 1588876686 FJTJPSCTHAGHJJ-UHFFFAOYSA-N 436.604 2.482 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1589581982 XRNDWPQZRRBHIR-MOPGFXCFSA-N 446.596 2.131 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1593747151 RFXPVSLSJSLREE-FQEVSTJZSA-N 443.596 2.047 30 10 IEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)CC)CC1 1594237210 NUELOPHSTNCZKC-UHFFFAOYSA-N 438.580 2.333 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1595161989 RYWPJSOMUYVNEB-HNNXBMFYSA-N 432.575 2.216 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1595185240 RZBHDPAWHZHPTQ-IBGZPJMESA-N 435.370 2.291 30 10 IEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595866372 IHHODVUOEMWXRC-IBGZPJMESA-N 429.638 2.419 30 10 IEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@H](C#N)C3(SC)CC3)CC2)cc1 1597813189 QPYMJYQUKGNKTB-GOSISDBHSA-N 437.587 2.342 30 10 IEEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1612780559 BOQVHBXKLQZVFH-ZHALLVOQSA-N 434.610 2.041 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1628204246 OQAXZMJUPXPEGX-KUHUBIRLSA-N 441.488 2.335 30 10 IEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1628631794 ADUANZXSQTXUCO-KRWDZBQOSA-N 436.530 2.043 30 10 IEEE CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1633006127 SWWRUCYFLNTQQS-KRWDZBQOSA-N 442.516 2.101 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 1636566971 KCJBNFAYJSVZTD-UHFFFAOYSA-N 446.305 2.170 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)NCC#C[C@@H]2CCCCO2)ccc1Br 1637186360 RUWCQMVIUQGSAD-AWEZNQCLSA-N 429.336 2.002 30 10 IEEE O=C(N[C@H]1CCCN(O)C1=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 1637667934 PIELHIVRNPKSOV-AWEZNQCLSA-N 436.262 2.325 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1637675284 OGVVERZJHKEKHE-IAGOWNOFSA-N 435.546 2.088 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)[C@@H](OC)C3CC3)nnc12 1638696076 XSTOXURTCZSVIP-FZKQIMNGSA-N 427.530 2.252 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC 1641191447 WDFUHKMIAPQAFV-AWEZNQCLSA-N 425.507 2.312 30 10 IEEE C#C[C@@H](NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)c1ccc(Br)cc1 1641517848 PJHFTPWSQIFPTB-RDTXWAMCSA-N 429.318 2.448 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCOCC1 1657840955 OGYYLMUZHKYVRJ-QINHECLXSA-N 435.546 2.034 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@](O)(CN(C)C)C2)n(-c2ccc(F)cc2)c1C 1659181579 RHUMQVDAEAHAQL-HSZRJFAPSA-N 427.524 2.432 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)NCc1ccc(C#N)cn1)OC2=O 1682910949 YQRZZDMXKANRNN-KRWDZBQOSA-N 443.504 2.085 30 10 IEEE N#C[C@@]12CN(C(=O)NCCc3ccc(Br)cc3Cl)C[C@H]1CS(=O)(=O)C2 1682951514 ODNQXYYYLKGOKG-LRDDRELGSA-N 446.754 2.225 30 10 IEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 1689916873 ZUHIDCGUNBIAPW-QGZVFWFLSA-N 431.562 2.224 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1689993875 NABNXSNHJVDLND-INIZCTEOSA-N 434.512 2.378 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C)CC1 1690135199 RDGVHRZJHBKQJS-OALUTQOASA-N 445.612 2.055 30 10 IEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1690267104 UDASNKUXTQMRSU-MRXNPFEDSA-N 436.557 2.077 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)COC)C1 1690689689 JVLJTTLLROSYDB-WMZOPIPTSA-N 434.562 2.412 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1690699204 BDIGVQCLRZZEHW-IXDOHACOSA-N 429.487 2.448 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1692571495 DJJQXHKLFXEXLJ-IYBDPMFKSA-N 448.618 2.475 30 10 IEEE CS(=O)(=O)c1ccc(OCCn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1698299159 CKQAFWGGWNUJFB-GOSISDBHSA-N 445.545 2.147 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1705531873 ZPPQOKXMZQYCNP-UHFFFAOYSA-N 448.527 2.478 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCOCC1 1705585945 OXWAOJXYKJAOSR-LJQANCHMSA-N 425.508 2.037 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCCS(C)(=O)=O 1705620367 RROUEYGKHONBKN-UHFFFAOYSA-N 441.532 2.478 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)CN(C)C 1705625033 UHUUMAMNGBCMQS-UHFFFAOYSA-N 427.549 2.390 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705734730 ANEIAYAGBRJDRJ-LJQANCHMSA-N 444.580 2.051 30 10 IEEE C=C(C)COCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705740097 BIGRPLKGNYODKB-HSZRJFAPSA-N 449.596 2.216 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1705926167 ZDBUTANFRBZQPV-RBUKOAKNSA-N 446.573 2.427 30 10 IEEE Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)cnn1C 1707009205 GBRHKQMALDKUSB-IBGZPJMESA-N 432.532 2.410 30 10 IEEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1709404278 PJANKZZXNRNHLQ-PLNGDYQASA-N 446.515 2.282 30 10 IEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCC[C@@H]1CO 1722342944 DLMBQIURTBAAOH-QGZVFWFLSA-N 449.397 2.352 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364963 JSCFLAGTDNAPMU-WOJBJXKFSA-N 448.564 2.306 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722366760 JQIDMLOEIDWNMX-IBGZPJMESA-N 430.578 2.136 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)NCCC)CC1 1722433168 NOLKUZMYYJLPFL-UHFFFAOYSA-N 445.571 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)N2CCCC2)CC1 1722445496 SCPVXIHFYAMQAS-JOCHJYFZSA-N 449.603 2.426 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722456388 SMUJTCUTWHIIRO-QHCPKHFHSA-N 436.585 2.484 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNS(=O)(=O)CC)CC1 1722575752 UZDMHLLRDJQOJF-UHFFFAOYSA-N 449.577 2.304 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1722641253 YOWKEKJBJVVUFU-WDSOQIARSA-N 449.552 2.491 30 10 IEEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1722681616 OLBZUZWNIRUUTI-UHFFFAOYSA-N 433.940 2.020 30 10 IEEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722685903 NRNSWAUBUVNMQC-HXUWFJFHSA-N 430.597 2.476 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722736907 MMIKIMAOMJJEFY-ZJPYXAASSA-N 440.610 2.005 30 10 IEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)N(C)c1ccccc1 1723854297 FBBINBIZVOUBOA-VGSWGCGISA-N 425.512 2.367 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCOCC2CCOCC2)n1 1726059953 XAQPLQWBSCWDBY-QFIPXVFZSA-N 445.543 2.415 30 10 IEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC1CCOCC1 1727606332 LDCFMGBQJLIOPC-UHFFFAOYSA-N 425.537 2.019 30 10 IEEE CN(C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC#N)CC1 1729342032 YANOLXNLRVYGTM-OAQYLSRUSA-N 440.548 2.499 30 10 IEEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1731188251 CQLYMWVTPWEJSF-RYUDHWBXSA-N 428.440 2.424 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622355 XYDJYVMTBMBQPG-KRWDZBQOSA-N 431.562 2.249 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740624825 BCNHSWSGKZYQDK-PMACEKPBSA-N 428.558 2.042 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740626151 JWFHMNXKKSADQC-KRWDZBQOSA-N 433.578 2.341 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](OC)C2CC2)CC1 1740700596 WWHXRSYGGVFVIL-NRFANRHFSA-N 425.533 2.046 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1740713641 OISDNXWFVNRWQY-UHFFFAOYSA-N 445.545 2.217 30 10 IEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740789070 DFTNCOYSJQZZAB-UHFFFAOYSA-N 430.553 2.086 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1740823672 KODIFTUVXIDTBC-LJQANCHMSA-N 443.573 2.391 30 10 IEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740857818 CWLGTHFOPFYVJR-MELADBBJSA-N 439.504 2.401 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)CC)cc1 1740967764 PTXPQOQAFSPVOS-IBGZPJMESA-N 449.577 2.070 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1741001600 YOTGYQHHSKICQA-FQEVSTJZSA-N 434.654 2.306 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741392368 OMBKSUDXJZTONE-GFGLJSBJSA-N 428.537 2.323 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccn(CC)c1=O 1744035850 DXZPYECKGJQTOQ-UHFFFAOYSA-N 425.537 2.166 30 10 IEEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1744249008 CWJQIXJWANSFFU-HSZRJFAPSA-N 438.532 2.071 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1748730478 LSHKSVIJUCVYKN-UHFFFAOYSA-N 436.560 2.029 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1748755811 CVOZBDRGBNGLKT-UHFFFAOYSA-N 432.532 2.111 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](OC(C)C)c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748804415 HIMBHVAZBNDKPL-RXVVDRJESA-N 446.573 2.388 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC=CO1 1748950458 KRMXUALOZZBDRY-GOSISDBHSA-N 430.530 2.127 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OC)C1 1749222193 CCOXSGVPVUDZSK-KRWDZBQOSA-N 448.593 2.446 30 10 IEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749403144 XLYOZEMKLHHOCC-IRXDYDNUSA-N 435.594 2.032 30 10 IEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749434166 KCVGOZSHHXAQIT-UHFFFAOYSA-N 440.523 2.468 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1749559876 AOHHDYIWUYPCRA-SJORKVTESA-N 433.582 2.149 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@H]1CCOC1 1749657850 HXFOKTXCOKYGBH-KRWDZBQOSA-N 429.521 2.268 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749660005 LUSMTAWRYKALOL-SFHVURJKSA-N 449.540 2.462 30 10 IEEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1749726548 WBIWPXARZWGNDM-KRWDZBQOSA-N 443.939 2.117 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1750554399 YRTRTHGLOJRSJM-SFHVURJKSA-N 440.548 2.241 30 10 IEEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1750561114 KYRBYQWHWKDMGQ-QZTJIDSGSA-N 438.488 2.093 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1751003475 FWQRWIDFKMUZHW-SFHVURJKSA-N 440.932 2.368 30 10 IEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 1752320659 BGRGEGQMGQIXNO-IUODEOHRSA-N 443.451 2.017 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(=O)N1CCOCC1 1760194851 RRPXLHGHSVZTJL-OAQYLSRUSA-N 449.555 2.357 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760208648 HOAJJNBTBIFAPK-HYBUGGRVSA-N 441.576 2.388 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)NC(C)C 1760240791 CGYMDYXAQGWDJH-UHFFFAOYSA-N 444.536 2.380 30 10 IEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760278799 HKKGGLBULXYDHN-MRXNPFEDSA-N 443.598 2.427 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCNS(C)(=O)=O 1760289713 RNYRHWQOGOAMTM-HRAATJIYSA-N 449.552 2.489 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(OC)C1 1760302554 HSLLVCLCPZFDIE-UHFFFAOYSA-N 431.298 2.055 30 10 IEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760460858 FGVKUYATGMKFLB-NRFANRHFSA-N 426.546 2.165 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1 1760520346 KRTZVIPOCBSUSP-UHFFFAOYSA-N 439.470 2.247 30 10 IEEE CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760678411 FRUXWYDFWUUHFD-UHFFFAOYSA-N 448.506 2.204 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1761362528 CVICSBWBHJZZOZ-YOEHRIQHSA-N 427.534 2.038 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1763201120 GVGDRGKMXJXYNM-SJORKVTESA-N 428.587 2.380 30 10 IEEE CN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1768696104 MDYIKWQNWMSFPS-UHFFFAOYSA-N 430.559 2.454 30 10 IEEE CN1CC[C@@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)C1 1769063942 BVOQKRSNUIKFSS-GGILJOMBSA-N 430.597 2.393 30 10 IEEE N#Cc1ccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCCOC(F)(F)F)cc1 1770735689 NHXCGNBOQIIBHG-HZPDHXFCSA-N 434.422 2.458 30 10 IEEE COCc1ccc([C@@H]2CCCN2c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1770847277 UMGFQXJHPYAAIQ-QBNCKDSPSA-N 426.477 2.194 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1NC(=O)CC1(C)C 1771110771 VTMKIKAEUAPSBD-OAHLLOKOSA-N 431.928 2.275 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1771261553 IROIVGOUMOHFSH-FZEVHQGJSA-N 443.573 2.217 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1772660255 OKJAXLSMPQPXDJ-WOJBJXKFSA-N 441.557 2.423 30 10 IEEE N#C[C@@H](COC(=O)CCCN1CCS(=O)(=O)CC1)Cc1ccc(Br)cc1 1848460895 QIZHKOCOCIBAFJ-INIZCTEOSA-N 443.363 2.185 30 10 IEEE COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)CC2=O)cc1 1848939954 JJTGJNBOLYCGQK-LJQANCHMSA-N 438.528 2.049 30 10 IEEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCCCN2CCOCC2)CC1 1849939171 WUEMIYAVAOMNJK-UHFFFAOYSA-N 425.508 2.300 30 10 IEEE N#Cc1ccc(C(=O)O[C@H](COc2ccccc2)CN2CCN(c3ncccn3)CC2)nc1 1851596227 LKQLNOKRVSSQIZ-NRFANRHFSA-N 444.495 2.170 30 10 IEEE COC[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1851983982 CWIMSHYECUVXRH-PZJWPPBQSA-N 427.526 2.085 30 10 IEEE N#Cc1ccc(CC(=O)OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1852541036 JZFRAPCXNNVPEO-UHFFFAOYSA-N 447.944 2.304 30 10 IEEE C=CCN(C(=O)CCn1ccn2nc3c(c2c1=O)CCCC3)C1CC[N+](C)(CC)CC1 1853431730 KOZFFUQRXCPUNP-UHFFFAOYSA-N 426.585 2.408 30 10 IEEE Cc1ccc(S(=O)(=O)NC(CN2CCSCC2)=NOCCN2CCCC2)c(C)c1 1853538892 TZCOGAQWILSITC-UHFFFAOYSA-N 440.635 2.056 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cc2cc(C)no2)CC1 1855573771 FVBDPNZICJYVHG-UHFFFAOYSA-N 429.498 2.372 30 10 IEEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)C3CC3)C3(CCCC3)C2=O)c1 1856428105 IBZFQRQILKXKPQ-UHFFFAOYSA-N 435.933 2.495 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(CC)nn2CC 1864327237 QPTWHAYQJYXTAN-RDTXWAMCSA-N 426.517 2.222 30 10 IEEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 1870106813 HLIARDWNLFUTIN-LBPRGKRZSA-N 434.843 2.475 30 10 IEEE C#CCOc1cn(CCCOC)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870560015 XCSUKMNUZROTTJ-UHFFFAOYSA-N 425.529 2.228 30 10 IEEE CC(C)(C)n1ncc(N/N=C/c2ccccc2S(=O)(=O)O)c(Br)c1=O 1873526857 AGFNZCPMJVJZLV-CAOOACKPSA-N 429.296 2.454 30 10 IEEE C=CCNC(=O)[C@@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@@H](C)CC 1873840970 KLKLYIKYHIZOMX-JXFKEZNVSA-N 425.533 2.352 30 10 IEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc(N(C)C)nn4)CC3)n[nH]2)c1C 1889918715 SYLMFLOKQUUEQS-UHFFFAOYSA-N 449.563 2.285 30 10 IEEE C=CCN(CCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1895864688 PFKJFLWBHQKHLL-CVEARBPZSA-N 427.542 2.144 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(c3cc(Br)cnc3C#N)CCN2C1=O 2174715844 QJLNNHYWNVOARV-OLZOCXBDSA-N 436.310 2.030 30 10 IEEE Cc1cnc(N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224124682 OJUPNAONBVVHNM-MRXNPFEDSA-N 433.358 2.419 30 10 IEEE C=C(CS(=O)(=O)N[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2247901361 JLPCJEHNUHTGHD-YWZLYKJASA-N 442.387 2.493 30 10 IEEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248416455 SFSXVYWXQHUEKU-VXGBXAGGSA-N 441.359 2.464 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(N=c2[nH]ccc(C#N)c2N)C1 2250350335 RRPVAVUHTTVXDH-UHFFFAOYSA-N 432.525 2.226 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255596575 MXKALNSAZYBMHY-NRFANRHFSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255707384 VNSIBVUILYAJNH-INMHGKMJSA-N 431.342 2.442 30 10 IEEE Cn1cc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255831430 VYAXJDCZJDPTAD-IBGZPJMESA-N 425.338 2.133 30 10 IEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2255833058 WLTUGEIKRWAWBB-UHFFFAOYSA-N 449.382 2.444 30 10 IEEE CC1(C)OB(c2cnc(N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2256889867 SMTBCQUTEPHFCK-LBPRGKRZSA-N 431.239 2.415 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2260789597 MEBOQBLBAINBSZ-KAMXEHQASA-N 435.374 2.374 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267002510 ANZFLRWYVSEQCF-IBGZPJMESA-N 438.381 2.361 30 10 IEEE CC[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267003081 JTTCQGXAIDDKSH-LJQANCHMSA-N 438.381 2.456 30 10 IEEE C[C@@H]1[C@@H](C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2267185331 UGYMAYPPCWWKPR-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267499551 VMGRTYGBUKTROC-AWEZNQCLSA-N 448.373 2.237 30 10 IEEE C[C@H]1[C@@H](C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267503560 FXNARHMJZDMQGR-CABCVRRESA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2267512991 RTRIQEUPEWMZCX-SOUVJXGZSA-N 446.357 2.084 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2267524774 VELMERZSGVIYBI-CQSZACIVSA-N 448.373 2.187 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267586047 DZNLVQIMUYDCLH-QHCPKHFHSA-N 446.353 2.088 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2269719386 SCCIXVIQMHENPR-NPMXOYFQSA-N 443.353 2.428 30 10 IEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2269761643 LUGBTRVNAJELAQ-INIZCTEOSA-N 447.341 2.345 30 10 IEEE CC1(C)OB(c2cnc(C(=O)NC3[C@H]4CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2282028111 ZMBYMUIZBHGWTA-OALUTQOASA-N 448.376 2.416 30 10 IEEE COc1ccccc1[C@@H]1C(=C(O)c2ccc([N+](=O)[O-])cc2)C(=O)C(=O)N1CCOCCO 2296946598 YOAIVUNEENTDDU-LJQANCHMSA-N 442.424 2.034 30 10 IEEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)N(C)C(=O)OC(C)(C)C 2315530925 BVYJLHBURQAXOJ-AWEZNQCLSA-N 436.362 2.095 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322311441 SXRFNXRLZPZVTP-OAQYLSRUSA-N 437.321 2.304 30 10 IEEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)C=Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2328155801 YXUJGHRPFQCCHL-MAODMQOUSA-N 431.492 2.048 30 10 IEEE O=C(Cc1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)NCCc1ccccc1 9860468 CRHIZOMSEPBTPR-RBUKOAKNSA-N 429.567 2.078 30 10 IEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 21328298 MHZCVKMBRRZRIX-SRZZPIQSSA-N 432.535 2.332 30 10 IEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 39915193 QMHPTCGDDGTOSO-QGZVFWFLSA-N 440.518 2.426 30 10 IEEE CCOC(=O)C(=NNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)OCC 59449574 KHQGJESXZOBAQK-UHFFFAOYSA-N 425.507 2.145 30 10 IEEE C#CCn1c(=NC(=O)c2cccc(OC)c2OC)sc2cc(S(C)(=O)=O)ccc21 254743380 CWUSQBZIVPGZQU-UHFFFAOYSA-N 430.507 2.498 30 10 IEEE C[C@@H]1C[C@]2(CCO1)CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C[C@@H](C)O2 430286197 XADBWHVQRLNJER-JPAWQOSXSA-N 432.590 2.115 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1 462085233 ROOTUNPIBQSGLE-UHFFFAOYSA-N 448.462 2.066 30 10 IEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508477057 ITUCLFGSJBWNEC-QFIPXVFZSA-N 435.576 2.234 30 10 IEEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508498034 PJWNSCSKBWDQOC-SFHVURJKSA-N 444.605 2.183 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[S@](=O)C(CC)(CC)C1 508849215 PTACMFGHJTUAEL-PMERELPUSA-N 426.550 2.234 30 10 IEEE Cc1nc([C@@H]2CCCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 513943267 ZMQADTIRAQGMMW-IBGZPJMESA-N 442.545 2.139 30 10 IEEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)c(F)c2)c1=O 520225551 HWNQSUQJUKMYLI-UHFFFAOYSA-N 442.512 2.183 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c(C(F)(F)F)c1 520555538 ATYXGQCJTBSHCF-CYBMUJFWSA-N 429.395 2.339 30 10 IEEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1-c1ccccc1C 521766483 YUAQBXWSOZTMTI-UHFFFAOYSA-N 447.560 2.090 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccsc2)c1=O 522284139 LFJQQFUIXPDKAH-UHFFFAOYSA-N 440.546 2.402 30 10 IEEE C=CCn1c(SCC(=O)C2CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 524622387 MDQBOAJIDGPCIB-UHFFFAOYSA-N 448.570 2.223 30 10 IEEE N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 524624651 DGMBMMJIAJAYJF-DFQSSKMNSA-N 447.557 2.417 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](c3cccnc3)C3CC3)CC2)cc1 535415103 PHMYRQIDRKTLRU-HXUWFJFHSA-N 425.514 2.120 30 10 IEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cn(-c2ccccc2)nn1 542617690 FUFVPLXMTODTOZ-YLJYHZDGSA-N 435.557 2.388 30 10 IEEE CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544888120 GQACMDJUFZJUDQ-UHFFFAOYSA-N 428.518 2.459 30 10 IEEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccc(N5CCN(C)CC5)nc4)no3)cc2C1=O 545600666 NCSLYAZKXVBGEA-UHFFFAOYSA-N 430.468 2.332 30 10 IEEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 555290569 NYHYLIUWPRNMBD-UHFFFAOYSA-N 444.543 2.433 30 10 IEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)C2)nc1 561102747 YEVGJEKAGSYAHN-GFCCVEGCSA-N 443.257 2.340 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3nccc4sccc34)CC2)cc1 580607500 UMFDOGQZTXCUDU-UHFFFAOYSA-N 440.550 2.432 30 10 IEEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H]2CCCO2)n1 582373337 OXOKDDIVENWBGE-LJQANCHMSA-N 430.516 2.421 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cn1 583097160 VMPQMVHVIVCCFY-LJQANCHMSA-N 426.542 2.160 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2C[C@@H]2CCCO2)cc1 619853167 KJRHNAVEXPVSKB-ACRUOGEOSA-N 439.516 2.292 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC(C)C)cc1 727417093 DIDYNVWIGQGAIT-UHFFFAOYSA-N 435.505 2.084 30 10 IEEE COCCCN=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1cnn(C)c1 727972463 UVRGIHSUEVJBKT-AWEZNQCLSA-N 440.529 2.489 30 10 IEEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3ccccc3C#N)c2=O)cn1 732563349 VLZSKVNBGPQOAN-UHFFFAOYSA-N 431.521 2.105 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H]3CCCC[C@@H]3C)n(C3CC3)c2=O)cn1 735067968 BRCIFAHJBFFRFV-KXBFYZLASA-N 439.585 2.049 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)OC)cc1 749622622 NPVJAUSEDJSNCS-KRWDZBQOSA-N 428.510 2.050 30 10 IEEE COc1cccc([C@@H](C#N)NC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1OC 752624310 VGSFGKXODQMVCN-RDTXWAMCSA-N 431.514 2.439 30 10 IEEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 758059586 LXPJDBGFJDWTIS-UHFFFAOYSA-N 432.423 2.314 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)CCN1C1CC1 764258444 AVEAMVAOFPQVTI-MRXNPFEDSA-N 446.349 2.187 30 10 IEEE CNC(=O)[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)C(C)C 772420489 DJXZAQKEMDLCJS-SNFPTOCBSA-N 437.566 2.172 30 10 IEEE C[C@@H](NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccc(C#N)c1 775338008 NQVCQBCDHYWFDV-JVVYVMHDSA-N 438.553 2.354 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 777232529 VKNBDDSMECYWEY-UHFFFAOYSA-N 428.533 2.044 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)C1 784667356 PQSSODOTOMHIJM-MOPGFXCFSA-N 428.537 2.267 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 789144451 OGQSDNXJRZDPHQ-LJQANCHMSA-N 427.480 2.009 30 10 IEEE C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)C1=O 799143308 IAZNGINBWPIRES-PXDATVDWSA-N 432.524 2.353 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)c1 807937572 HENIHCHPGAFMCG-FQEVSTJZSA-N 440.569 2.014 30 10 IEEE Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)nc1 858043825 ZOFDBJBYGPRIEC-MOPGFXCFSA-N 425.558 2.314 30 10 IEEE CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 916926280 XBFNCIBWWAVNKU-OAHLLOKOSA-N 426.473 2.330 30 10 IEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3F)n2N)c(OC)c1 1084291433 KGNFUGVJXKUDRH-UHFFFAOYSA-N 445.480 2.325 30 10 IEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)c3ccc(F)cc3)n2N)cc1 1084390100 OQFRDRMUMHBEMN-UHFFFAOYSA-N 428.449 2.339 30 10 IEEE CO[C@](C)(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)OC(C)(C)C 1125202053 BDUJZCXSYPNOGQ-JFLDFIPSSA-N 439.534 2.185 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C 1127222084 VVCCJHCZHMSBLG-HOKUHMFPSA-N 426.521 2.317 30 10 IEEE Cn1cc(Br)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1129035968 JCRYXJGTJKAFRU-NSHDSACASA-N 436.697 2.377 30 10 IEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc(O)c2ccccc12 1136149350 HDQXXJLBXZQGBQ-UHFFFAOYSA-N 436.493 2.267 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCCS2(=O)=O)cc1 1136331845 OAORLUCSRNXTBY-STIUTOJCSA-N 441.575 2.185 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CN(c4ccc(F)cc4)C3=O)C2)C1 1138154265 HULFUAYBDLCABV-KARAJXQHSA-N 442.491 2.444 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1 1141796678 XNFZCMVINZCSNY-UHFFFAOYSA-N 425.466 2.134 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1150569174 ZSTIBUJDDRDOPF-QZTJIDSGSA-N 438.956 2.435 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)s1 1153636917 IIJHQUQBZYIFAA-HNNXBMFYSA-N 428.576 2.335 30 10 IEEE COc1ccc(CN2CC[C@@H]2CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1167275832 QOJJLBJJUUIVGN-MRXNPFEDSA-N 431.489 2.136 30 10 IEEE C#CC1(F)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)C1 1176294605 PKAUVISTHXDWIA-UHFFFAOYSA-N 430.457 2.446 30 10 IEEE CC#CCN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1248431865 QHOJEIQFWJUIAA-OAHLLOKOSA-N 428.352 2.267 30 10 IEEE CN(Cc1ccccc1)C1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCOCC1 1248551983 HRIKCEQEJVRYRA-UHFFFAOYSA-N 448.571 2.466 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286394946 QGWQHINYZYZINE-IAGOWNOFSA-N 438.619 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1286414699 AMIMQOJSBWVVJX-UHFFFAOYSA-N 428.500 2.196 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1286436570 NQMUHORDJFRGCY-UHFFFAOYSA-N 442.321 2.048 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1286477318 WXGMPMFLQRLMFE-NRFANRHFSA-N 446.603 2.344 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(CC)s2)CC1 1286485278 HXFMQXQFWBKRQC-PXNSSMCTSA-N 429.590 2.430 30 10 IEEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCOCCS(C)(=O)=O)CC1 1286656474 WWBVPYMTJKEQKS-UHFFFAOYSA-N 434.562 2.417 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(C)C)C1 1286815873 GCPHUISFKUILCA-MRXNPFEDSA-N 439.969 2.456 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C(=O)OC(C)(C)C)CC3=O)c(C#N)cc2C1 1289758099 USXOPGSRUNCIBN-HUUCEWRRSA-N 441.532 2.484 30 10 IEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)cc1 1289878250 FEZOHIDYFRDQPZ-QGZVFWFLSA-N 442.545 2.450 30 10 IEEE C[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(S(N)(=O)=O)c1 1290254884 DTXUJTGDJJMPNB-OAHLLOKOSA-N 435.546 2.162 30 10 IEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCOC1 1296525139 ALWFOTYRGIQEHO-MRUHUIDDSA-N 436.557 2.439 30 10 IEEE COc1cc(I)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1298432670 GRCBNAMYYCMMLG-FOCLMDBBSA-N 441.225 2.155 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1 1298747908 VXQOPIJXQYTRRR-SBUREZEXSA-N 434.533 2.420 30 10 IEEE CN1CC[C@](O)(Cn2c(N3CCCN(c4ccccc4C#N)CC3)nnc2C(C)(C)C)C1 1298884807 DGDGHUOKSIFUDL-XMMPIXPASA-N 437.592 2.231 30 10 IEEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O)C(F)(F)F 1299601348 KWSABPDMBOBXMO-OAHLLOKOSA-N 445.467 2.265 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1300430934 QTAVDJPDWDQNMX-IHPCNDPISA-N 445.589 2.434 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300450408 UBSQXMFTZACPDE-APWZRJJASA-N 431.537 2.358 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1300479388 NJRLDWNEWUQWNG-KRWDZBQOSA-N 446.573 2.268 30 10 IEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300742741 TWVVGMZWXDQFNU-UHFFFAOYSA-N 449.584 2.461 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1300767195 SMTHZBVKUXVRHY-HNNXBMFYSA-N 433.603 2.442 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(F)c2)CC1 1301125860 QSAGQDUFCIFQFC-IBGZPJMESA-N 449.552 2.201 30 10 IEEE COCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1301167193 FYXOKQFRKSIERB-IERDGZPVSA-N 446.577 2.213 30 10 IEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301185992 PNYKKWRLHNQKDE-HNNXBMFYSA-N 435.550 2.376 30 10 IEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1301502743 ONPCXHXKNFYKJT-UHFFFAOYSA-N 431.610 2.256 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1301558463 VWPURFPHOFAEAI-VNTMZGSJSA-N 433.597 2.451 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1304378576 DDWGBWSYEATCDF-SVMVAKDDSA-N 442.495 2.129 30 10 IEEE CCc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC(=O)NC)cc1 1305945957 ZPQKMIKHXDWGHN-UHFFFAOYSA-N 444.543 2.237 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)cc1 1310131978 PPPBWNDJGVNVEA-UHFFFAOYSA-N 435.506 2.242 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 1312938159 XMVVUDAZDBDJKL-PMACEKPBSA-N 449.393 2.219 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(c2nccc(OC)n2)CC1)c1ccc(Br)cc1 1312938405 ZTXWDTROUGAYBA-MRXNPFEDSA-N 430.306 2.454 30 10 IEEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1316267180 OQSJKPWFOTWFHB-UHFFFAOYSA-N 437.504 2.387 30 10 IEEE C=CCO[C@@H]1CCN(Cn2nc3ccc(S(=O)(=O)N(CC)CC)cn3c2=S)C1 1323714303 AFEPNSIPSOEKGX-OAHLLOKOSA-N 425.580 2.130 30 10 IEEE COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1OCC(N)=O 1355291766 DEDSXMGRLOWWQX-CYBMUJFWSA-N 442.859 2.076 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1358904877 NKHBMCGLTSCGOE-QFBILLFUSA-N 449.552 2.409 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358950378 IQROFBJCSUDVGZ-UHFFFAOYSA-N 429.496 2.371 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1358956685 JKDXFSUGKRSROE-WMZOPIPTSA-N 431.562 2.260 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1359034868 FKORVUWXYUBYGR-UHFFFAOYSA-N 441.601 2.284 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1359066609 HMSIJOGWTHSVDL-FOIQADDNSA-N 429.502 2.280 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359097190 LUELCTKPUFLFMT-VQIMIIECSA-N 433.578 2.278 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1359136777 UXMDQZIIVVJMCL-QHCPKHFHSA-N 439.516 2.317 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1359226465 GGZHBBQOZGKYKG-XMSQKQJNSA-N 429.496 2.059 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCC(OC)CC2)C1 1359312178 PAFAINGCUIBRDM-IBGZPJMESA-N 448.612 2.087 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)C1 1359313817 RQBAPHRTNKFBRT-PMAPCBKXSA-N 447.580 2.015 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N2CCOCC2)C1 1359316162 JHFQEPNDFFDSJH-RXVVDRJESA-N 427.549 2.456 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCCC2)C1 1359325072 XKEKYXZVAFWEKZ-VQTJNVASSA-N 430.597 2.302 30 10 IEEE CCOC(=O)[C@@]1(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCCOC1 1438117027 ZXDJFVFDKGORFW-IIBYNOLFSA-N 425.526 2.440 30 10 IEEE COC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2ncccc2c1 1439622445 GKELPPUKYQQYTM-UHFFFAOYSA-N 438.465 2.466 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 1470296621 ITBAEKGUYGUIJS-HNAYVOBHSA-N 435.509 2.214 30 10 IEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCN(CCC#N)CC1)c1cccc([N+](=O)[O-])c1 1471237346 QFTCVSCCERJXFX-NRFANRHFSA-N 431.493 2.393 30 10 IEEE C[C@]1(C#N)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CCO1 1472145277 CTDGRSMUBUPYTM-NRFANRHFSA-N 443.481 2.013 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC2CCOCC2)n1 1492746226 LKWOUXMMWVOEHW-OAQYLSRUSA-N 431.516 2.167 30 10 IEEE CC[C@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1495664247 FAHGPGLTEMIUPE-QKCRCVCASA-N 428.537 2.323 30 10 IEEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)C(C)(C)C 1496695425 GOTZDHZTOJTVQS-CQSZACIVSA-N 426.587 2.148 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1504887941 XWBSUCFVVAOKNV-ZIFCJYIRSA-N 446.596 2.478 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507536058 AGCZMMHHRUHCME-KRWDZBQOSA-N 438.557 2.020 30 10 IEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507694348 LWNXHVATQVXPRB-LJQANCHMSA-N 445.589 2.215 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cn(CCCCC)nc2C)CC1 1507724408 FGTSWZOEIWCHSI-UHFFFAOYSA-N 435.580 2.177 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1507797384 LLXQAAFBZVZJBX-AQNXPRMDSA-N 433.597 2.310 30 10 IEEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1507850775 BAZGGRKMVGVJHE-UHFFFAOYSA-N 438.557 2.059 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507951072 MRULFKNRWILWGZ-OAQYLSRUSA-N 443.577 2.415 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1508015375 TVIHNOIAWLAOLV-UHFFFAOYSA-N 441.561 2.156 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1508075319 WDNGENDFZQEOIL-INIZCTEOSA-N 446.939 2.014 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1509950475 UXNOWNMGTHEGBP-CYBMUJFWSA-N 428.447 2.097 30 10 IEEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511113949 XQPKLIXIEXLFDE-QFHABUONSA-N 446.515 2.305 30 10 IEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)c1ccc(F)cc1 1517807371 BHSGPHJFAMWSGQ-GRDNDAEWSA-N 438.529 2.011 30 10 IEEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1518872383 GGZMEPLMXYUIIN-PKOBYXMFSA-N 429.546 2.257 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1521075326 MJGHXXCVWCUAPX-HTXNQAPBSA-N 439.426 2.189 30 10 IEEE CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1531928921 ZDHIFIYTFJOXEU-GOSISDBHSA-N 446.495 2.066 30 10 IEEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1538031251 DKEVQOIQJBMQRA-FZKQIMNGSA-N 434.459 2.491 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1538973810 QEZUCBDNYIWSMQ-IRXDYDNUSA-N 429.496 2.264 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1539052014 AZXPRLUJSCRACU-QFBILLFUSA-N 449.552 2.409 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCn1cc(CO)nn1 1539148322 PBFTVNVSCAPARE-OAHLLOKOSA-N 429.912 2.315 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(N(C)C)CCSC2)CC1 1539467009 LONDMYYHLWOTCC-VGOFRKELSA-N 432.638 2.195 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1539498322 SEUWGJFNZUUBDD-QZTJIDSGSA-N 445.564 2.444 30 10 IEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539509973 BTXBCUAUUKCXRB-UHFFFAOYSA-N 447.568 2.372 30 10 IEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1539682244 UZXUYJJFUGALLN-UHFFFAOYSA-N 426.521 2.194 30 10 IEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21)C1CC1 1540095200 NBWVPMUWUCRNEJ-HNNXBMFYSA-N 443.577 2.401 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1540127602 SLPYHVGTYNYWEG-VQTJNVASSA-N 425.533 2.247 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1540153522 HKDGZVXKTREEBB-UHFFFAOYSA-N 435.326 2.073 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1540866606 TZGRXXJGLGXZEH-GOSISDBHSA-N 429.521 2.126 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1541803038 BPEFZQAMWUSIAZ-LQWHRVPQSA-N 434.610 2.466 30 10 IEEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N3CCOC[C@H]3C#N)c2C(F)F)CC1 1543430743 PYGLGDOFTPZCDH-CYBMUJFWSA-N 440.451 2.152 30 10 IEEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1545663935 GNBLQFFACNFTQH-QGZVFWFLSA-N 446.559 2.203 30 10 IEEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1552875701 PDVPUWJKEYJCSP-UHFFFAOYSA-N 448.575 2.060 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1555812350 AFZMSYAJULZORT-MRXNPFEDSA-N 446.602 2.088 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)CCN3C(=O)c4ccccc4C3=O)n[nH]2)c1C 1556072043 ZTOSBFWLVXWKBD-UHFFFAOYSA-N 432.484 2.444 30 10 IEEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1557719107 OSWFSJTZZFYHGD-HXUWFJFHSA-N 444.582 2.281 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)nn(CC(=O)OC)c1C 1567155142 UAUVTUXXRQNXIE-OAHLLOKOSA-N 428.917 2.325 30 10 IEEE COc1ccc(CNC(=O)/C=C/C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1567507641 IOHIMVXUHOIQJC-IWGBCORSSA-N 432.480 2.051 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCNc1nccc(C(F)(F)F)n1 1588119908 BKIBNMJGGFLMGY-UHFFFAOYSA-N 428.422 2.277 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1594624944 CNYFYZIXPZCYLZ-UGNRZPKXSA-N 438.594 2.309 30 10 IEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595854969 UHIFZJVDEUTOON-UHFFFAOYSA-N 425.580 2.284 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1596821552 CZAZAOWFJADBCC-LTIDMASMSA-N 445.568 2.471 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1597422656 ZWOHSEIVBCLBCN-UHFFFAOYSA-N 441.536 2.441 30 10 IEEE N#CCOc1ccc(CNC(=O)Cn2nc(Br)c(Br)n2)cc1 1611332828 VHJQEKMILQDHDG-UHFFFAOYSA-N 429.072 2.022 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O)N(C)C1CC1 1611512217 VHHYPWRTTHQEIT-INIZCTEOSA-N 430.578 2.170 30 10 IEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)n1 1619795396 ZSLBBICJBKSOHL-KRWDZBQOSA-N 437.504 2.452 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cccc(Br)n2)CCO1 1620355775 NBPCNBFANSINFG-HNNXBMFYSA-N 426.278 2.275 30 10 IEEE C#CCN(Cc1ccccc1)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1622115624 IEAPHUVKKRXEEE-YADHBBJMSA-N 442.537 2.488 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1625967573 RKUXIKWCSJDRDI-SAHWJRBASA-N 443.500 2.242 30 10 IEEE N#C[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1ccc(OCc2ccccc2)cc1 1626764072 RNRQTWAOFCTPTD-FQEVSTJZSA-N 428.452 2.233 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1)c1cc[nH]n1 1628641687 AVZOKGWHRVAXFM-UHFFFAOYSA-N 444.488 2.446 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)s1 1629204535 PYBYAGPJCYLPAD-UHFFFAOYSA-N 444.542 2.382 30 10 IEEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 1631335683 ILJUABJBVFDUCU-KRWDZBQOSA-N 430.555 2.035 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)C1 1634109300 YUOTUMAKKPMFDJ-RFBLXINOSA-N 435.525 2.052 30 10 IEEE CNC(=O)[C@H](CNC(=O)NCc1nc(C#N)cs1)Cc1ccc(C(F)(F)F)cc1 1636647515 DQTMEVMDVPCKKT-LBPRGKRZSA-N 425.436 2.438 30 10 IEEE COc1ccc(CNC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1C#N 1637890094 GIJYVNSWTKYMOP-KRWDZBQOSA-N 430.505 2.089 30 10 IEEE C#CC[C@@H](CO)NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1637990401 RKYDSSPTMBVQPJ-ICSRJNTNSA-N 429.314 2.350 30 10 IEEE C#CC[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1)C(=O)OC 1642411763 XDNAHFZQAJUOJG-HNNXBMFYSA-N 442.331 2.217 30 10 IEEE C#C[C@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1 1664580146 QSLBOTXMYLKGQI-NRFANRHFSA-N 434.558 2.383 30 10 IEEE C#C[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1665578649 FYGWLXMAMBOPHD-GOSISDBHSA-N 446.573 2.185 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)n1 1672786858 BCMHSFDRVKUDHY-AQNXPRMDSA-N 428.537 2.068 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)CC1 1674734097 HVKOXOUXOAMFFV-HDICACEKSA-N 428.533 2.284 30 10 IEEE CCOC(=O)CS[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 1684781650 QFLQZBIOCZPGLW-KGLIPLIRSA-N 446.451 2.343 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1689907908 PJVFICHZCBQKFR-UHFFFAOYSA-N 428.512 2.304 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1689923212 OGOVGUYLLSIOIP-UHFFFAOYSA-N 432.532 2.133 30 10 IEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1689981737 ANHCHSPKHWSENC-AWEZNQCLSA-N 440.367 2.463 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCCC 1690027069 YDDPDSGRRFDRJI-UHFFFAOYSA-N 444.333 2.219 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCCC2)nc1 1690104663 DCMDDTWCBURXCG-UHFFFAOYSA-N 431.544 2.393 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690169489 DQHNNRFRMBFBLC-AWEZNQCLSA-N 425.484 2.174 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1690671051 OEJIMGPZJJZZPR-WOJBJXKFSA-N 425.533 2.127 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnn(C)c2C)n1Cc1ccc(C#N)o1 1698230299 AWQQYOONSYHTEI-KXBFYZLASA-N 425.493 2.193 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1705570222 LSVVYKSGFSPHTB-RCCFBDPRSA-N 432.521 2.035 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705578134 HLSWDAPRSWRGMS-XMMPIXPASA-N 433.512 2.046 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1705580604 MLRYLWZBWAWMGM-FQEVSTJZSA-N 441.539 2.077 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccco1)N(C)C 1705589194 MGIACIWOCQHTMJ-GOSISDBHSA-N 431.500 2.284 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)COC 1705590452 LRGUJGJAOMEPAH-QGZVFWFLSA-N 442.589 2.292 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1705611747 OLMXEJFGTDYKID-SFHVURJKSA-N 449.559 2.290 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(OC)nc2)CC1 1705634003 FOGQSRXYKCNOFY-UHFFFAOYSA-N 448.527 2.169 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N[C@H](C)CC)CC1 1705636476 LZXSPWDFPMVGKL-MRXNPFEDSA-N 429.956 2.054 30 10 IEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705686729 IZPVOJCPPQDTGA-WMLDXEAASA-N 435.370 2.349 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705899811 HOWJQJMTYFCJBP-IBGZPJMESA-N 440.454 2.498 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705908292 MTJFEHMKSUOADL-ICSRJNTNSA-N 438.576 2.395 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)O[C@H](COC)C2)cc1 1705911198 BDMFFBOPMOYYQD-VDGAXYAQSA-N 441.532 2.082 30 10 IEEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1706824094 BXIZETFFQSZVFM-GOSISDBHSA-N 442.589 2.250 30 10 IEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@H]1C 1710285869 HABULHRUPTXGAU-WZONZLPQSA-N 440.548 2.065 30 10 IEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1710980492 GTFYSFOFCGAZJK-SFHVURJKSA-N 432.532 2.098 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1711302791 MJMJXADUIUWJKF-CQSZACIVSA-N 436.472 2.048 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1712565043 AQYPIVNMFYGKRE-GDBMZVCRSA-N 437.447 2.088 30 10 IEEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1712579162 WWQPKUIPPKSHAN-UXHICEINSA-N 441.532 2.283 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1cccs1 1722373060 DJOQDESYNDFUPW-VXKWHMMOSA-N 428.558 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1722399997 HOMYHLKQONWJDQ-IRLDBZIGSA-N 447.587 2.466 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CCOCC2)CC1 1722435668 MFHUKPCBVMXMLX-UHFFFAOYSA-N 425.533 2.144 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1722438354 WOAWRDMKPMFLGH-MOPGFXCFSA-N 446.596 2.183 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCOC)CC1 1722438700 YLDLDJMVXIOJBH-UHFFFAOYSA-N 436.516 2.018 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Br)cc1 1722448335 QHVUCHIMPHUSJP-QGZVFWFLSA-N 446.349 2.320 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)CC)CC1 1722450822 RVZDDKSRGXELRK-QHCPKHFHSA-N 443.523 2.123 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722494071 MEJMFCJVHQKSBM-KSZLIROESA-N 443.552 2.473 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722590922 JNHKFPQMWDEOCM-UHFFFAOYSA-N 447.547 2.158 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(=O)OC)CC1 1722634803 SPSWBUBXWGGOHA-UHFFFAOYSA-N 437.508 2.021 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1cccs1 1722691827 UMNKLRCTDABDGG-UHFFFAOYSA-N 425.518 2.316 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@@H]2C)C1 1722715364 OWXUJUUCCKMPCE-PXNSSMCTSA-N 442.520 2.355 30 10 IEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1722743141 RPVFCWUCHOBBGB-UHFFFAOYSA-N 441.609 2.119 30 10 IEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C1 1722813742 FMSUFCTVDCMHHJ-IBGZPJMESA-N 437.548 2.084 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1723221418 MHCNTUPTVPCQRJ-KHOFPDMRSA-N 435.532 2.273 30 10 IEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1723469166 HZZZAAPZMDQFBR-UHFFFAOYSA-N 448.575 2.483 30 10 IEEE CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1724070091 OVNROZCKUYTLSI-UHFFFAOYSA-N 441.557 2.303 30 10 IEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1)C(C)C 1728498690 AWIDLSOLWJBJLE-UHFFFAOYSA-N 425.581 2.315 30 10 IEEE N#Cc1ccc(N2CCN(c3nnc(CC4CC4)n3CCCOCC(F)F)CC2)nc1 1731183844 XLFWQXMRDNTXJR-UHFFFAOYSA-N 431.491 2.496 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCS(=O)(=O)CC1 1740546975 MICVKWUTELTIQB-QGZVFWFLSA-N 438.557 2.414 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCCC1 1740651030 WMXCMXXRJBJXFX-UHFFFAOYSA-N 435.528 2.471 30 10 IEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1740720494 ALQJXBQEHDVVND-UHFFFAOYSA-N 438.601 2.358 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1740838703 WHMWMGKSOAUPGV-HKUYNNGSSA-N 440.523 2.115 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1740960104 LFFCBTWPZXQKMF-NSHDSACASA-N 430.456 2.196 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1740981083 NWUDTLKUOWWAFF-MSOLQXFVSA-N 433.553 2.430 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1742658129 BPNOKCXDXYGIBC-UHFFFAOYSA-N 445.531 2.460 30 10 IEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1748759692 MTLHPNHSZAPQFY-KRWDZBQOSA-N 440.573 2.274 30 10 IEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 1748805515 SZRDEIFSPQYGQC-RDJZCZTQSA-N 430.530 2.195 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C 1748844577 VVDKIQKLSPXYPC-MOPGFXCFSA-N 428.581 2.416 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CC(C)(C)C2)CC1 1749003391 IBBLCXCRTSRZTL-DEOSSOPVSA-N 443.592 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)OC)CC1 1749015782 NECUMUNSWAKZRB-SFHVURJKSA-N 425.533 2.166 30 10 IEEE C#CCSCCn1c(COCC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749049227 ZRALWYQCRHKEDE-INIZCTEOSA-N 432.546 2.252 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749285825 YXSSVCIBAZWYFI-IKGGRYGDSA-N 425.961 2.448 30 10 IEEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749390310 CIKWNPRUWABHMJ-PMACEKPBSA-N 436.560 2.323 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCCC)CC1 1749730561 IPZUOIQYGNTWKJ-QGZVFWFLSA-N 434.566 2.121 30 10 IEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)C1 1750195723 YEMWRYGEMOGYAN-OALUTQOASA-N 427.530 2.175 30 10 IEEE CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)C2)CC1 1750906479 BOSYYTANIWWGJT-NRFANRHFSA-N 437.592 2.192 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1oc(CC)nc1C 1760173321 QWCJWIDRINIXEY-UHFFFAOYSA-N 442.545 2.172 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760179950 RNKPWWRXVOMJGE-QGZVFWFLSA-N 441.429 2.329 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1cccc(Cl)c1 1760247793 PKIBPSLUKMIZDQ-OAQYLSRUSA-N 428.924 2.326 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnccc2OC)CC1 1760263161 PZBLQISTPUEJBP-UHFFFAOYSA-N 446.555 2.279 30 10 IEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760451471 KFLZORGGLRACHB-FPOVZHCZSA-N 432.613 2.058 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1760453659 DHGVKECUVAGOLD-UHFFFAOYSA-N 426.521 2.018 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)C)nc2)C1 1760550330 WPFKNWGBWNHKJY-LJQANCHMSA-N 440.548 2.412 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)c2ccccn2)CCOC1 1761291262 JAKLZNZWGXDXGU-JPYJTQIMSA-N 440.548 2.420 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1CCOC1 1763743284 YBDVEVNBQYKJEF-AEFFLSMTSA-N 426.569 2.458 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1767634299 IEDOOESLHKYFJL-HTAPYJJXSA-N 427.505 2.146 30 10 IEEE COCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1769325996 LETKJABBTATDCX-SFHVURJKSA-N 442.476 2.025 30 10 IEEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1769963502 XFKGNUHJYICQAS-APWZRJJASA-N 440.548 2.425 30 10 IEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C[C@@H](C)O1 1770673742 CNBLZDQKQKATIL-HDICACEKSA-N 434.548 2.144 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(OC)CCOC1 1771100579 VMVDWMYTONPTPL-OFNKIYASSA-N 441.532 2.460 30 10 IEEE CSc1cccc(F)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1771425853 GZEFZGHTPONPET-STQMWFEESA-N 440.570 2.393 30 10 IEEE COCc1nc(N2CCOCC2)ncc1C(=O)N1C[C@H](C#N)[C@H](c2ccccc2Cl)C1 1851001304 KHHCUWUQAGXJNC-MAUKXSAKSA-N 441.919 2.492 30 10 IEEE O=C([C@@H]1CCC(=O)N1Cc1ccccc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851212882 ANJMRBMQEXBSOI-AWEZNQCLSA-N 431.436 2.438 30 10 IEEE CC(C)(CN1CCN(c2nnnn2-c2ccccc2)CC1)C(=O)Nc1ccc(C#N)cc1 1851738883 ARXWVWLQTVKACI-UHFFFAOYSA-N 430.516 2.321 30 10 IEEE CCc1ccccc1-n1nnc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1C 1853015514 USWSWFDBZQFFTC-UHFFFAOYSA-N 445.527 2.384 30 10 IEEE Cn1ccnc(N2CCC[C@H](N(Cc3ccc(Br)cc3)C(=O)CC#N)C2)c1=O 1853597976 RPAPEIGRGLPQBF-KRWDZBQOSA-N 444.333 2.454 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2OC)cc1 1858966409 KTBBATORFWINTJ-UHFFFAOYSA-N 448.497 2.164 30 10 IEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862479931 TUXLEJYPIIGYIN-HXUWFJFHSA-N 436.464 2.496 30 10 IEEE C=CCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871469943 CEOXYSHBKKTUFT-UHFFFAOYSA-N 432.326 2.099 30 10 IEEE COc1cccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 1874341029 ZPXASDSMANEHME-UGVMZYNRSA-N 433.534 2.073 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231131 BBEISHBZFGYSAF-FQEVSTJZSA-N 438.532 2.102 30 10 IEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCCC5)C2)c1 1889487359 BPUGWKUXFMRQJF-JKSUJKDBSA-N 437.525 2.106 30 10 IEEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)cc1 1891380966 LTIAVSBQUUGKQS-UHFFFAOYSA-N 431.500 2.199 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010541640 WTGUETALBDZUNY-XUVXKRRUSA-N 428.533 2.105 30 10 IEEE N#Cc1ccc(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cn1 2118173030 ZSYHADJHSCFIRR-OAHLLOKOSA-N 428.392 2.089 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2141245375 VIEOEYFEJTUKFN-INIZCTEOSA-N 447.341 2.083 30 10 IEEE C[C@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243370892 UOMDVGNIHDLFTI-GFCCVEGCSA-N 425.360 2.428 30 10 IEEE C[C@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2243674882 OXYUTMHGWVOMBG-GFCCVEGCSA-N 425.360 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2247833676 KDLLRWCGSYZAHR-LBPRGKRZSA-N 439.343 2.113 30 10 IEEE Cc1nc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247904385 AKVSTDUGOFKHQG-CHWSQXEVSA-N 437.371 2.394 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2250290598 UMDKNRGEDXZVJN-QWHCGFSZSA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(N=c2ccc(N)c(C#N)[nH]2)C1 2250309447 OKINYCQXXHSXEY-UHFFFAOYSA-N 432.525 2.226 30 10 IEEE CC1(C)OB(c2ccnc(N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)c2)OC1(C)C 2254802287 MRCDVMZCZXYNBL-CFVMTHIKSA-N 425.260 2.417 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@@H]2C1 2254810142 TXGIDNBPVLKTKB-SJORKVTESA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255377730 QUYMEGVOFQANEJ-LIRZEXBASA-N 431.342 2.473 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827937 ABNLSYBGCTYFFI-UONOGXRCSA-N 434.346 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830874 LYUPLBJKCSSARW-AWEZNQCLSA-N 434.346 2.228 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H]2C[C@H]21 2255845460 BWNARIPASDLIFB-HLLBOEOZSA-N 431.342 2.442 30 10 IEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N(Cc2ccccc2)C2CNC2)OC1(C)C 2255932421 AZTVJAOMVKYZBH-UHFFFAOYSA-N 442.390 2.290 30 10 IEEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267127923 MLFIFTSPJPTFDB-SFHVURJKSA-N 438.381 2.313 30 10 IEEE CCn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2267180530 FXFXKHCCMXXBGO-CABCVRRESA-N 448.373 2.330 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C 2267190088 JOLIWDFVYVHKDG-OAHLLOKOSA-N 448.373 2.284 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267550061 ULNGSMJMODEBQG-JOCHJYFZSA-N 446.357 2.153 30 10 IEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267590694 ROCGSIFUFFESDZ-OCCSQVGLSA-N 441.259 2.052 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267593667 MTGGJXPQAGRJCL-QZTJIDSGSA-N 446.353 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267875799 JADRQAUIVTXJFI-OAHLLOKOSA-N 446.357 2.153 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2312849515 AZKWWBVVUKYHPD-YDHLFZDLSA-N 449.382 2.428 30 10 IEEE COc1ccc(Cc2nnc(SCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2329295821 YCKWNPLQCYZSMK-UHFFFAOYSA-N 429.458 2.458 30 10 IEEE COc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)cc1O 2329323065 OQCOMASKMQQQKH-UHFFFAOYSA-N 427.486 2.169 30 10 IEEE Cc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1 3434421 HZGNJFVUZQYUIV-XKQJRBCRSA-N 425.535 2.047 30 10 IEEE N#CCC(=O)N1CCC(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1 219529286 OTWWZFZFMSTCIP-UHFFFAOYSA-N 436.512 2.497 30 10 IEEE C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 462084019 MVFNTYBSQKKGQP-CQSZACIVSA-N 439.501 2.272 30 10 IEEE Cn1nc2c(c1CNC(=O)NCCCc1nn(-c3ccccc3)c(N)c1C#N)CCCC2 464485850 VUBLYVVRDJMHNF-UHFFFAOYSA-N 432.532 2.370 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 467828964 RMKSNBXCGIRGQG-OXJNMPFZSA-N 427.526 2.070 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1 474911786 YHSLGOIANPRYKE-UHFFFAOYSA-N 429.440 2.414 30 10 IEEE COc1cc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c(OC)c1 486001140 DUINBIXXPFCDEX-GFCCVEGCSA-N 440.499 2.199 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 492652975 DSWTXBHCWWNKHV-ISQHLFTMSA-N 431.625 2.324 30 10 IEEE CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 503642141 IKNVZUUDUAZLQV-UHFFFAOYSA-N 440.525 2.100 30 10 IEEE C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508843948 GTNAOIJYWIAMQK-FQEVSTJZSA-N 425.533 2.256 30 10 IEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 522388396 KDTADQUFJOCRLP-INIZCTEOSA-N 441.509 2.115 30 10 IEEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)o1 531939182 MQTJMTRIMNEPOI-UHFFFAOYSA-N 432.567 2.275 30 10 IEEE Cc1cccc(Cl)c1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534548044 QEYLVMZCHYJXFZ-UHFFFAOYSA-N 432.933 2.465 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 538646275 YWRVYGFGOWVUNZ-GOSISDBHSA-N 442.882 2.383 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(C)c1 558963167 OECIGTRFAKEJCI-IBGZPJMESA-N 449.577 2.011 30 10 IEEE Cn1nccc1C1=CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 560721031 FLSNDVXMXZHVHA-UHFFFAOYSA-N 439.541 2.008 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)cc2C1=O 560774573 FFYJWQOKHYKFNY-UHFFFAOYSA-N 440.887 2.485 30 10 IEEE COc1ccc(CNC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)cc1 603935472 DTAUFRGWTFMWDA-FQEVSTJZSA-N 443.525 2.053 30 10 IEEE N#Cc1ccsc1C(=O)NC[C@@H](O)COc1ccc(I)cc1 608986176 JBROAJQZSKXGNS-GFCCVEGCSA-N 428.251 2.394 30 10 IEEE COCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C[C@H]1CCCO1 619850429 HQLYEKSIEGCWGH-GOSISDBHSA-N 433.516 2.350 30 10 IEEE CC[C@H](C#N)Oc1cccc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 733785359 XCOQIWQZUBDKNG-WZONZLPQSA-N 446.507 2.459 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CCC)c2=O)cn1 735069357 UFSKEVYWLUFXTM-UHFFFAOYSA-N 435.553 2.092 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)ccc1F 749871177 WWIPFEVYXJRCCP-UHFFFAOYSA-N 434.415 2.315 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(C#N)c2)cc1 750429294 AJSWXTXDXGKCPC-UHFFFAOYSA-N 429.498 2.313 30 10 IEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSC 751824249 WTFNAKPKLBHTJQ-UHFFFAOYSA-N 440.594 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 756889364 DGRHAUFDAXLVDG-OCCSQVGLSA-N 447.435 2.469 30 10 IEEE CO[C@H](CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 757470229 DTRPNWSVCTWMOF-INIZCTEOSA-N 436.464 2.134 30 10 IEEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)c2C)c1 758052584 FAJIPONXCJMTBZ-LJQANCHMSA-N 442.589 2.237 30 10 IEEE CC(C)[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1nnc2ccccn12 758448160 GGUMKXVXYQUJIN-ZOBUZTSGSA-N 427.509 2.485 30 10 IEEE CCOC(=O)CON=C(C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@H]21)c1cc[nH]n1 772588085 QFDDJRDMAAHXCH-UAGQMJEPSA-N 448.520 2.195 30 10 IEEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 774166677 SSYQJRLEOFTAEG-QGZVFWFLSA-N 441.594 2.436 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C3CC3)c2=O)c(C)n1 781656608 CNUNQRFCSPJSKQ-UHFFFAOYSA-N 446.532 2.407 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781660667 KWMPTXFLWMXYEC-UHFFFAOYSA-N 447.491 2.089 30 10 IEEE COC[C@H](C)N=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(C)c1 789966684 JXQWTQXEBWALTB-AWEZNQCLSA-N 433.559 2.171 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccnc(OC(F)F)c2)cn1 790016662 NSZPWTRFYOIPAI-ZDUSSCGKSA-N 438.460 2.167 30 10 IEEE CN(C)[C@@H]1CCOc2c(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cccc21 790239166 FPANWFNPLMFEEY-QGZVFWFLSA-N 428.514 2.139 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 798010571 VJFSHTRMOHDSER-KSGLDPLVSA-N 436.534 2.353 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(Br)ccc1O 804733510 RAAQRALGFQEAMF-LLVKDONJSA-N 438.303 2.010 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]3C)CC2)o1 807801175 HDDIWSMRGXWDOL-MKBNYLNASA-N 441.454 2.375 30 10 IEEE C#CCONC(=O)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 812786142 APQITWVCZNOFEF-UHFFFAOYSA-N 432.458 2.105 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 858071284 HDNCWQQCNYOLQU-FQEVSTJZSA-N 425.510 2.425 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1F 914739579 YVEOAXDVTWXMPR-CVEARBPZSA-N 428.551 2.417 30 10 IEEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2ccc(Br)cc2)n1 1084221649 FSWLCYKJMBDICG-UHFFFAOYSA-N 427.284 2.378 30 10 IEEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1cccc(Br)c1 1084399040 AJBYVYYUTJFBEG-UHFFFAOYSA-N 447.322 2.326 30 10 IEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(F)c(F)c3)n[nH]2)cn1 1084597759 YRIXCRDOFQFEOJ-UHFFFAOYSA-N 436.448 2.103 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1131373273 LWWLICYNLMMOKX-RDGPPVDQSA-N 449.548 2.399 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC)c2nnc3n2CCCCC3)s1 1136527456 XSSIEYAKCYFESV-OAHLLOKOSA-N 437.591 2.340 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)[C@@H](C#N)C1 1137215222 QEYTZMJMOWSVLC-ROUUACIJSA-N 427.505 2.114 30 10 IEEE CC[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)S1(=O)=O 1140280644 XAFYMACZHVWLRT-UGXBSWJRSA-N 439.578 2.197 30 10 IEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C1CCOCC1 1148195109 TWGNGESHZMCIEI-FQEVSTJZSA-N 428.510 2.029 30 10 IEEE C=C[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1148559719 XDNKKEVGWSMVIG-BFIDETRKSA-N 436.508 2.424 30 10 IEEE CCOC(=O)c1cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)on1 1152133600 LYIXMKMVZSRIHG-UHFFFAOYSA-N 433.262 2.238 30 10 IEEE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1154408564 UGBVWEUYPMTWIZ-YCRPNKLZSA-N 426.517 2.264 30 10 IEEE COc1ccc2nc([C@H](C)NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[nH]c2c1 1154998976 DGROJDRPHBIZEY-ZDUSSCGKSA-N 427.486 2.173 30 10 IEEE C[C@](O)(Cn1ccccc1=O)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157807778 TZNQYJKSHPMCIO-BREBYQMCSA-N 448.310 2.229 30 10 IEEE C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)C(=O)OC 1161365758 XOKMEERFARSEFS-CJNGLKHVSA-N 439.281 2.122 30 10 IEEE N#Cc1ccccc1OCCN1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1171941618 BOKXKVYOSPCKDV-UHFFFAOYSA-N 433.556 2.492 30 10 IEEE N#Cc1ccc(N2CC[C@@H](N3CCN([C@@H](C(N)=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 1192927909 DGVUZKZTHKZJSB-NHCUHLMSSA-N 437.931 2.161 30 10 IEEE CCn1c(CN2CCO[C@@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1198211505 XMLRMGVZXAFLLQ-NRFANRHFSA-N 431.562 2.345 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1286282643 ODBATRGBRVTJNP-KPZWWZAWSA-N 443.356 2.259 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286384260 HAYWZDGGAPNKMN-IEBWSBKVSA-N 449.621 2.209 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)C1CC1 1286397418 NQGYXOVLKGSNSY-XLIONFOSSA-N 425.558 2.155 30 10 IEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCn2ccnc2C1 1286433836 MOIFHWBIYGYHQH-GOSISDBHSA-N 447.568 2.192 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2ccnc2)c(F)c1 1286459532 QFRJVFRUJWHSIF-UHFFFAOYSA-N 434.479 2.138 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)N2CCCCC2)CC1 1286471045 GMSNHNAACPPOFE-FQEVSTJZSA-N 432.613 2.022 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286548918 UTRDTAJWALVMDX-FHWLQOOXSA-N 446.596 2.140 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286565096 OQEABASCAFRUAD-NZQKXSOJSA-N 444.624 2.202 30 10 IEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286618395 ACVWIFALHCFVOP-GASCZTMLSA-N 438.960 2.472 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286670785 NZRBJXCPFGCGFG-UHFFFAOYSA-N 439.564 2.413 30 10 IEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1286829739 ZYGRLLAMMPKCLT-UHFFFAOYSA-N 435.561 2.191 30 10 IEEE C=CCSCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286835681 XHEHXHWYHDQOLA-JOCHJYFZSA-N 449.621 2.298 30 10 IEEE CC(C)NC(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1288208344 ANMZPILOTQJMCK-JOCHJYFZSA-N 432.569 2.363 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 1293031839 HYMYZIUODQEULL-VZCXRCSSSA-N 443.866 2.410 30 10 IEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1293838522 WXZYGHXYIVTUKR-XZOQPEGZSA-N 438.532 2.139 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1294846679 HQTXKEBWKJEDLI-NRFANRHFSA-N 428.468 2.075 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)/C=C\[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1296472267 NLHRGXOQYPHVHM-CNZFZVQHSA-N 442.564 2.452 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCCC3)CCOCC2)CCOC1 1296525790 FIIYEUPTOPQZBL-AUSIDOKSSA-N 446.596 2.171 30 10 IEEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300351815 AYIUEIDLZVLYBS-HXUWFJFHSA-N 441.532 2.107 30 10 IEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1300408878 OESPNPFTBFFTNK-KRWDZBQOSA-N 430.553 2.084 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CC1(N2CCOCC2)CC(OCC)C1 1300520489 GPJSZRCTKKVKMC-UHFFFAOYSA-N 437.544 2.189 30 10 IEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2ccnc2C)nc1 1300642849 VSRMDZRUMNICHN-FPOVZHCZSA-N 435.532 2.399 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300913116 QZAOBRDZGFWDOP-SFHVURJKSA-N 447.561 2.114 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1301499787 GDBRJPINZUQVGH-KRWDZBQOSA-N 427.505 2.230 30 10 IEEE C=CCNC(=O)Cn1c(N(C)[C@H](C)c2cccc(O)c2)nnc1[C@@]1(OCC)CCOC1 1301520300 WHYSPDAFLSHCCV-OPAMFIHVSA-N 429.521 2.135 30 10 IEEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301579925 LKOXUHRXZUYFSY-QUCCMNQESA-N 438.532 2.118 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301609877 PWQSIKOUJHQVHP-JKSUJKDBSA-N 434.610 2.280 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1304002454 RUSVRBZRDLBGEG-WCJKSRRJSA-N 445.541 2.312 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NCC1(C#N)CCOCC1)C(=O)OC(C)(C)C 1305274216 FXJXBODPZAGHTH-UHFFFAOYSA-N 440.541 2.185 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3Cc4cccc(C#N)c4C3)CC2)cc1 1307894047 XBOKJZWMDLMBGB-GOSISDBHSA-N 438.553 2.104 30 10 IEEE C#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)cc1 1310433131 SCSLDGXWJHGYBU-UHFFFAOYSA-N 442.903 2.492 30 10 IEEE C#CC1(NC(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCCC1 1311983936 FMNJOTPFMNYTQF-UHFFFAOYSA-N 449.573 2.350 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CSCCN3Cc3ccccc3)CC2)cn1 1312489865 AHVMABJXMRWLGN-QFIPXVFZSA-N 436.585 2.402 30 10 IEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1)CC(F)(F)F 1314861676 CSNGORKWCUMJMC-MRXNPFEDSA-N 435.454 2.013 30 10 IEEE COCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1316229461 NBSBZTQNOQBULZ-UTKZUKDTSA-N 430.484 2.083 30 10 IEEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1C#N 1353877608 MWPNVGDRFGDWIN-UHFFFAOYSA-N 425.919 2.428 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1358962286 NHEJFAPDUMYSFE-KRWDZBQOSA-N 432.521 2.368 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCc1ccccc1F 1358978382 LEEPLKNIDGAMRD-GOSISDBHSA-N 446.573 2.326 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCC(C)CC1 1359023484 LZAPEOFJZHCUJB-SFHVURJKSA-N 442.564 2.212 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1359033981 XTNKUQSIBZINCU-QFIPXVFZSA-N 435.551 2.481 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359052934 VTCQCQNHRXNGIQ-SJLPKXTDSA-N 444.557 2.323 30 10 IEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1359272316 PELQLEHKAOSSTL-QHCPKHFHSA-N 439.564 2.436 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1359299924 PVLQUZYIICCHAT-FQEVSTJZSA-N 435.532 2.020 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)OC)CC2)cc1 1359307706 SLHMLOPNZCKLFF-UHFFFAOYSA-N 435.488 2.237 30 10 IEEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)CC1 1445689429 MXHURWOOAWOEIY-UHFFFAOYSA-N 446.916 2.339 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 1447679754 BAYMNEASDUOGNS-UHFFFAOYSA-N 426.560 2.418 30 10 IEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1449900656 PKVMRQKFESHHQS-MSOLQXFVSA-N 438.546 2.146 30 10 IEEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC1 1465335446 SKYONUPESNYMNJ-NJNXFGOHSA-N 445.589 2.499 30 10 IEEE C=C(C)COCCNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1469329965 SSJMZLFNRPGMIX-HNNXBMFYSA-N 438.491 2.362 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)[C@H](C#N)C1 1475179052 BHSLFBQMVOSYAT-IUODEOHRSA-N 433.490 2.138 30 10 IEEE C#C[C@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1 1478012822 BCNQIDIKIUUEHO-HOTGVXAUSA-N 430.306 2.352 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)OC(C)(C)C)cs1 1492682194 RLZJSUNMTVWHHP-INIZCTEOSA-N 447.565 2.277 30 10 IEEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1499540554 HFWTXGSWQVJWMN-KRWDZBQOSA-N 432.550 2.047 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 1507755342 NBUWOVUTTOLKGL-UHFFFAOYSA-N 427.574 2.228 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1507761457 MGUKUMNHABOEFA-FYYLOGMGSA-N 429.565 2.357 30 10 IEEE C=C(C)COCCn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1507849086 UXHQWDPLOYVIKM-QUCCMNQESA-N 432.613 2.157 30 10 IEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1507931194 WWPSXYIMMJWTBW-UHFFFAOYSA-N 435.532 2.310 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1508003796 DSCJLDIOGVQVLM-KNQAVFIVSA-N 446.573 2.178 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1508077264 YERYCEWMMUDCGU-RLLQIKCJSA-N 443.548 2.187 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(C)(=O)=O)C1 1508117084 LXRPIJIHCQCKMR-KRWDZBQOSA-N 442.545 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCOCC1 1508135330 LLXFUOAAWWMLAE-MRXNPFEDSA-N 438.525 2.385 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](OC)C1 1508136842 VWSMKPGSVFKMDF-HNNXBMFYSA-N 440.953 2.433 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)CCOC1 1509816459 NFJNHSRIXUADNR-SELNLUPBSA-N 446.596 2.168 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](Cc3ccc(F)cc3C)C(=O)NC)cc2C1=O 1529779390 LEUCNVQTMPDMOI-KRWDZBQOSA-N 437.471 2.251 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)cc1 1534002162 DVVYRRVLGSHHEX-WZUFQYTHSA-N 427.482 2.476 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1 1538966439 ZPCDTDFKSRSRCL-QVKFZJNVSA-N 431.924 2.125 30 10 IEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539230142 KRAJPLGELSBAAE-LJQANCHMSA-N 444.605 2.347 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1539556713 UJDYCNYIAQTWJK-FDDCHVKYSA-N 428.581 2.111 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539620502 LUWBGLKJVYZCOA-AZUAARDMSA-N 427.553 2.391 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539752652 VGQZWACKXYFBKM-NRFANRHFSA-N 426.565 2.015 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSCCCO)CC1 1539882682 UBNZELPCBJSMPW-UHFFFAOYSA-N 440.577 2.439 30 10 IEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1539940611 SZTWQGRXLUYISS-RTWAWAEBSA-N 438.576 2.358 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1540127744 UNTJTTAGHIPNDJ-LJQANCHMSA-N 445.589 2.434 30 10 IEEE C[C@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCSCCCO)CCO2 1545150644 FBJHEKIZVRMXFY-VGSWGCGISA-N 443.573 2.317 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547731974 XJSGBKIPVPQGKP-JOCHJYFZSA-N 426.544 2.200 30 10 IEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(CC2CC2)nnc1N1CCC(C#N)CC1 1552879750 AXGWEZQLIQEPAV-UHFFFAOYSA-N 428.562 2.269 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1555198614 NFXBODSZMUPABU-CMKODMSKSA-N 427.505 2.005 30 10 IEEE COCCCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555460260 JPVNHCGLLVZWKI-SFHVURJKSA-N 449.563 2.477 30 10 IEEE C=CC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1556411986 LLEDFNFEUKOZBR-UAGQMJEPSA-N 430.364 2.096 30 10 IEEE N#Cc1ccc([C@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CCO2)cc1 1560182490 KFIMIZSRNGFUMJ-DNQXCXABSA-N 447.514 2.480 30 10 IEEE Cn1cc([C@@H]2CSCCCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 1564531882 ZWJOUWQHLNAYBD-UAGQMJEPSA-N 434.566 2.369 30 10 IEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cn(C)c(=O)nc1O 1565493987 WIWGDIOXURVCGR-UHFFFAOYSA-N 425.258 2.285 30 10 IEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182535 NDGRAMPHJOIQJR-VQIMIIECSA-N 449.573 2.277 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)OC)c2ccc(C)cc2)s1 1587481685 AGFZGCHBVYDAND-QGZVFWFLSA-N 436.555 2.484 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1587645626 KUHLZMLALOZXRK-JTKIUVGSSA-N 440.454 2.131 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588064566 KOPLMHJAWHNCHD-UGKGYDQZSA-N 434.606 2.453 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1588186500 YQBSYLFYTPKQAM-RUZDIDTESA-N 449.555 2.132 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1588769264 QTGVWBKMJWHYNR-HSZRJFAPSA-N 435.601 2.009 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2cccs2)CC1 1588790794 CHGHUHFTACKKGW-UHFFFAOYSA-N 438.532 2.331 30 10 IEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589096515 DLWUPNBBABONAK-QGZVFWFLSA-N 443.598 2.340 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1594813710 XAQFOBUHMMQWSV-QGZVFWFLSA-N 448.545 2.138 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1595161990 RYWPJSOMUYVNEB-OAHLLOKOSA-N 432.575 2.216 30 10 IEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(=C)CC1 1595490373 QPELDSMUJHZUIY-UHFFFAOYSA-N 443.577 2.005 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccccc1F 1595788610 DLILUSJMTDOYLK-WMLDXEAASA-N 435.525 2.167 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1596821217 BXLHURDFUWONFD-OWCLPIDISA-N 433.557 2.328 30 10 IEEE CC(C)NC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1610101008 GTAKKLPBYIHLBR-UHFFFAOYSA-N 436.564 2.129 30 10 IEEE O=C(NCc1cccnc1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cccc4ccccc34)S[C@@H]12 1614388854 MVPYMTXFTKPAPB-YYDGMXKLSA-N 448.548 2.354 30 10 IEEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC[C@H]1C 1617370325 UWSUTOMAYGQWIE-OAHLLOKOSA-N 434.591 2.088 30 10 IEEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1617588068 YRQNJUPZPGCCDV-UHFFFAOYSA-N 427.509 2.004 30 10 IEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1618678061 AQOFQPKCAAKZHY-UHFFFAOYSA-N 445.527 2.329 30 10 IEEE C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(N)=O 1622189337 CYHWAPHGFSNWME-QLJPJBMISA-N 440.294 2.396 30 10 IEEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1623730058 GWYJWQUBHCUSFS-AZUAARDMSA-N 437.393 2.157 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1S(=O)(=O)NCC#N 1627639908 SEWWYSPXAKGROI-NHCUHLMSSA-N 441.553 2.395 30 10 IEEE CC(C)(C)n1cc(C(=O)C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1628706676 SGLQPSRDTITWAB-UHFFFAOYSA-N 431.500 2.431 30 10 IEEE N#Cc1cn(CCNC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c(=O)nc1O 1629881888 CNQIFSIZIKCVJH-MRXNPFEDSA-N 446.305 2.424 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(Cc3ccccc3F)no2)c1 1634409511 WDJCVYMTXQYOMZ-UHFFFAOYSA-N 430.461 2.194 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)c1=O 1640769133 RVOXGNHEPNMZTK-OAQYLSRUSA-N 440.544 2.181 30 10 IEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 1640893445 RQLSGGGLKFQFFJ-RDJZCZTQSA-N 427.339 2.196 30 10 IEEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1644750518 MLGBKUFYDNRLEF-UHFFFAOYSA-N 434.543 2.380 30 10 IEEE C#CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)CC1 1644948151 MUEGLKCZUGBSPO-UHFFFAOYSA-N 427.242 2.335 30 10 IEEE N#Cc1ccsc1N1CC[C@H](N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O 1648461021 YENQXYCJECYGTI-SFHVURJKSA-N 430.555 2.252 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1648647743 QSNCKPPDELDUEP-CQSZACIVSA-N 429.498 2.079 30 10 IEEE CCOC(=O)c1nc(N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1Br 1650870089 DVNJBZXUQWCKTH-GFCCVEGCSA-N 431.294 2.398 30 10 IEEE CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1 1654481722 GJNWVDUIOZEDRR-CQSZACIVSA-N 431.308 2.052 30 10 IEEE C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654889032 OHWCXEQTXRIEPK-PJFSTRORSA-N 434.518 2.146 30 10 IEEE CC(C)(CNC(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O)N1CCOCC1 1656674724 CMVWBIZILINYDN-UHFFFAOYSA-N 434.949 2.329 30 10 IEEE Cn1cc(CNC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1686078827 MEISFUCZBMTQTJ-QGZVFWFLSA-N 426.477 2.309 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1690077276 LTKPJECFMUVKLE-MJGOQNOKSA-N 433.553 2.082 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(O)CCN(C(C)C)CC1 1690104860 KVWHDSXJKOOPHQ-UHFFFAOYSA-N 443.567 2.329 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690244212 UYOPZFZYTFJEKD-ZJOUEHCJSA-N 441.580 2.263 30 10 IEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1695009504 DGAQJWAIZHPQPQ-PMACEKPBSA-N 438.532 2.117 30 10 IEEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1697733453 FKCNHLAVAMFKAX-APWZRJJASA-N 426.521 2.148 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)C(C)(C)C)CC1 1705640299 MSWDWYQFAHHCKZ-UHFFFAOYSA-N 444.530 2.065 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1705644435 QODSEJSPWDHGBS-OALUTQOASA-N 444.624 2.255 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1705699116 CNPMWRVZMVINCY-RDGPPVDQSA-N 438.594 2.024 30 10 IEEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ncnn1C(C)(C)C 1705885409 QPADKXQZLQRYIZ-UHFFFAOYSA-N 427.557 2.173 30 10 IEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705894288 UBNLFIRNBCPZKL-FPOVZHCZSA-N 432.613 2.183 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](OC)C1 1705931864 CSSRKWJMKQSSQE-INIZCTEOSA-N 429.546 2.263 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1708338788 CJOXKCOIZDFSEK-LYLBAIIYSA-N 429.521 2.488 30 10 IEEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 1710992043 BWOFISDGIOCGBX-PKOBYXMFSA-N 435.557 2.493 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1712562456 PYMJIZOVLZFFHE-AWEZNQCLSA-N 442.442 2.199 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1722296571 RTLQNZJRBHLITL-YJBOKZPZSA-N 443.552 2.135 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1722296777 VDRFNIGESQOAQO-GHMZBOCLSA-N 433.481 2.162 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1722368771 SQLUMLYAPSAKDN-ROUUACIJSA-N 449.602 2.154 30 10 IEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722370369 NPZFOIYQAMJYNV-SQNIBIBYSA-N 444.557 2.148 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1722414062 VDTZPKBDSGGQTB-IBGZPJMESA-N 442.589 2.073 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@H](F)C2)n1 1722428496 WWRFIUOEXPXECK-MSOLQXFVSA-N 438.511 2.356 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1722441094 PACCPWGMTKQPOM-DENIHFKCSA-N 439.608 2.490 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1722671153 KCQDYQNDYGATJZ-OAHLLOKOSA-N 434.342 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(Br)C1 1722694643 CPHOXHHRDDWKDO-UHFFFAOYSA-N 446.305 2.465 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC2)C1 1722716810 YVRHPPALFUHRKK-SFHVURJKSA-N 431.562 2.387 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CC2)cc1C 1724437545 DVBAFYBPZLWIKC-YVGXBJCXSA-N 429.546 2.114 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@](C)(C#N)C1 1727483498 WWRIZEJMPJPEKN-KSFYIVLOSA-N 445.568 2.485 30 10 IEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1 1729449946 RKTNASVHTHNXPE-UHFFFAOYSA-N 427.419 2.290 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(C)(=O)=O 1740665854 SOWUGMDCKNWDAF-UHFFFAOYSA-N 425.942 2.006 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](Oc2ccccn2)C1 1740723919 WIYZFGFFOMZBTO-BJLQDIEVSA-N 443.573 2.421 30 10 IEEE C=CCOc1ccc(Cn2c(Nc3ccn(C)n3)nnc2[C@@H]2CCS(=O)(=O)C2)cc1 1740968490 JJACZQQNADZJQU-MRXNPFEDSA-N 428.518 2.270 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ncccc2N(C)C)CCOC1 1741125859 NXJVKYMPWIGXKX-VGOFRKELSA-N 427.553 2.424 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCNC(=O)OC(C)(C)C 1741126511 XXYMGIBEMCNBTP-INIZCTEOSA-N 433.557 2.415 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)c2ccccc2)CCOC1 1741731682 KNTZPUDVODEHKC-NFBKMPQASA-N 440.548 2.184 30 10 IEEE Cc1nc(CCn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1742607583 VRUUQCOGAHEGLB-SFTDATJTSA-N 428.541 2.118 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1OCCC1(C)C 1747186269 JEQVXUSRVXBAPQ-SFHVURJKSA-N 425.537 2.223 30 10 IEEE CNC(=O)C(C)(C)Cn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748089667 JKPMQKAICXSYID-UHFFFAOYSA-N 437.548 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1748648865 FYPBIITZWIAIDC-SJORKVTESA-N 443.548 2.150 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1748724900 LSGKCNBJHAOYMK-UHFFFAOYSA-N 442.593 2.081 30 10 IEEE COc1ccc(COCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1748835251 COLAWIJWZULPPQ-FQEVSTJZSA-N 437.504 2.023 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C(C)C)N1CCOCC1 1748853226 YKQTZVPBYDDWNQ-FQEVSTJZSA-N 426.590 2.063 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1748988938 DAZXIOCJTXFKBV-FYYLOGMGSA-N 436.604 2.448 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749115695 UVMJFINSXDNYIK-OTWHNJEPSA-N 446.596 2.139 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)CC1 1749119414 RRCMEUSEKBGWKH-PKOBYXMFSA-N 426.521 2.115 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749234576 IFWUMJKALGWLTD-FQEVSTJZSA-N 429.569 2.037 30 10 IEEE C=C(C)COCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1749241113 FOPFSBPRJOWOJL-DZGCQCFKSA-N 442.492 2.293 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCC(O)CC2)CC1 1749323818 MIGSKECVAQDYLF-UHFFFAOYSA-N 432.613 2.446 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCc2sccc2C1 1749721449 KFJCUCAJECWODY-UHFFFAOYSA-N 437.591 2.031 30 10 IEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1749755823 MDVCFXARLYAMGZ-KRWDZBQOSA-N 443.639 2.299 30 10 IEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1749756270 VVXFRZDPIJSGKQ-MRXNPFEDSA-N 443.639 2.157 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCS1 1752387535 IBVNXPMAWNLUJH-QZTJIDSGSA-N 442.589 2.391 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1760173379 SNSRKCNSVNAVTF-QGZVFWFLSA-N 441.532 2.299 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(O)c1 1760175595 NEVFQCIKAAIWPX-GOSISDBHSA-N 427.505 2.410 30 10 IEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760228126 WBDPNJLWKNNKDB-NRFANRHFSA-N 438.594 2.136 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCN1CCCS1(=O)=O 1760243277 DTLGBEVAGLGEIE-UHFFFAOYSA-N 431.537 2.045 30 10 IEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)NCC(F)(F)F 1760247629 IWGHDOPEJFIPTR-UHFFFAOYSA-N 434.422 2.191 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@H]2C)CC1 1760265725 HWNPZFZAPPBNLW-WSTZPKSXSA-N 431.581 2.404 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760316899 XZVXLODFMAMUDC-SIKLNZKXSA-N 430.597 2.139 30 10 IEEE Cc1csc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CCO2)n1 1762220066 COUQNNOOFJJXDC-KRWDZBQOSA-N 437.529 2.248 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H](C)O1 1763083274 VVNVVJOWDFCDHL-MDZRGWNJSA-N 429.546 2.398 30 10 IEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1767814511 AHSJNJMAVDSCKC-UHFFFAOYSA-N 426.521 2.259 30 10 IEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C[C@@H]1C 1769494195 BEDYWWCTUFXEJD-KRWDZBQOSA-N 448.531 2.460 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1769499674 HTFLPCFLKCRSFV-QFIPXVFZSA-N 442.520 2.024 30 10 IEEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1769711762 AOQDUJSCTGXVKW-UHFFFAOYSA-N 445.955 2.304 30 10 IEEE N#CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1 1849970573 DCJONXGDPZXWRJ-UHFFFAOYSA-N 448.458 2.343 30 10 IEEE CN1CCN(c2nc(NC(=O)c3cc(-c4ccccc4)nn3C)c(C#N)cc2C#N)CC1 1851250390 MBGIOQOOERVITR-UHFFFAOYSA-N 426.484 2.230 30 10 IEEE Cc1ccc([C@@H]2[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 1851835763 ZJDKJJQNJFGAAH-ZJSXRUAMSA-N 447.539 2.147 30 10 IEEE CCOc1ccc(N2C[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851942341 FISVNGDCTLIVFU-LBPRGKRZSA-N 447.435 2.309 30 10 IEEE O=C([C@@H]1CC(=O)N([C@@H]2CCc3ccccc32)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851944012 GOEKDEQVRMKQEP-UKRRQHHQSA-N 443.447 2.393 30 10 IEEE N#Cc1ccc(CNC(=O)CCCCCN2CCN([C@@H]3CCCCNC3=O)CC2)cc1 1852049011 LKGICYDSBSGESA-JOCHJYFZSA-N 425.577 2.021 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3cccnc3)CC2)CC1 1852449014 QLGJFSFDLHLWME-NRFANRHFSA-N 437.544 2.077 30 10 IEEE COC(=O)[C@@]1(NC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CCOC1 1852608875 MGSZYJUHEGKOMM-GBXCKJPGSA-N 433.464 2.094 30 10 IEEE COc1cccc(C#N)c1OCC(=O)N[C@@H]1CCCN(C(=O)COc2cccc(C)c2)C1 1853219299 UFMZFJXQMGDQMF-LJQANCHMSA-N 437.496 2.440 30 10 IEEE Cc1ccccc1C(=O)N1CCCN(C(=O)CCON=C(N)c2ccc(C)n2C)CC1 1853407044 GRZWJNXYRFRJJV-UHFFFAOYSA-N 425.533 2.044 30 10 IEEE NC(=NOCCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1ccc(Cl)cc1 1853416916 MJJQYHINZZSGPP-UHFFFAOYSA-N 432.883 2.491 30 10 IEEE N#Cc1ncc(C(=O)N(CCCN2CCCC2=O)[C@H]2CCCN(Cc3ccccc3)C2)cn1 1853427567 JIJXERWVDWASRI-QFIPXVFZSA-N 446.555 2.468 30 10 IEEE CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)cc1 1853758982 PDCLAEVYIKSQTO-GOSISDBHSA-N 431.558 2.483 30 10 IEEE Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C1(C)C 1854466441 KCXYJWYWDBZHMP-UHFFFAOYSA-N 446.916 2.367 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC(F)(F)F)C2)CC1 1855452170 NFUNJJZKFYGTOG-OAHLLOKOSA-N 443.447 2.286 30 10 IEEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)c4ccsc4)C3)CC2)CC1 1857122345 LVMKXHQTXRXEQB-QGZVFWFLSA-N 428.558 2.211 30 10 IEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OC)c(OC)c2)cc1 1858964785 TYQKWMJEOFMJQN-UHFFFAOYSA-N 448.497 2.164 30 10 IEEE CCCCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cccn(CC)c1=O 1861280168 LIFXHTGZJBAFCQ-IBGZPJMESA-N 434.581 2.489 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862510000 UNHUUHZDOJPUAU-GOSISDBHSA-N 431.416 2.428 30 10 IEEE CCN(CC)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCO 1870324429 KAZFWTDQLSAKOH-UHFFFAOYSA-N 444.557 2.122 30 10 IEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc[nH]3)CC2=O)cc1 1874200849 MDEUMJIHUHITOF-LVCXCXRVSA-N 426.502 2.102 30 10 IEEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCCn3ccnc3)ncnc21 1875231562 SUDZJRHBBCONBI-UHFFFAOYSA-N 441.536 2.051 30 10 IEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC1(S(C)(=O)=O)CC1 1902434587 APIKMPZUDOTPEC-UHOSZYNNSA-N 437.558 2.427 30 10 IEEE C=CCC1(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O)CN(C(=O)OC(C)(C)C)C1 1993309427 OYRIPBICMRATDN-AWEZNQCLSA-N 427.542 2.332 30 10 IEEE CC(C)(C#CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)NC(=O)OC(C)(C)C 2023919448 WLNNFTWXFUYADR-JKSUJKDBSA-N 439.553 2.027 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2059770351 UYEZYALFPFUOBH-FDDCHVKYSA-N 444.532 2.419 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CCC 2124453788 LMCFEDUOCNJOAF-GFCCVEGCSA-N 428.331 2.374 30 10 IEEE CN1CC[C@](CNC(=O)OC(C)(C)C)(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224118786 CCKVMDPSRAVECZ-JOCHJYFZSA-N 433.358 2.359 30 10 IEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)s[nH]1 2247819884 KPMULDZRHCQVKG-VXGBXAGGSA-N 438.359 2.448 30 10 IEEE CC(C)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248445276 KIJAZYQKDYPFNH-LJQANCHMSA-N 440.375 2.137 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2251295504 TTWONAGHMAQFTC-VDTGWRSZSA-N 438.252 2.107 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2253627484 BCMDRRLZXXASRB-ZOFXXKQRSA-N 436.358 2.297 30 10 IEEE Cc1nn(C)c(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828835 XHVYKKXUYTYMLM-STQMWFEESA-N 436.362 2.059 30 10 IEEE C[C@@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2255844342 VIWAPBMYQXJIDN-AWEZNQCLSA-N 434.346 2.151 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2267133698 GAZQLGNDXCTMEJ-GDBMZVCRSA-N 446.357 2.180 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2267247064 WQCOOUHYMUVODB-KRWDZBQOSA-N 448.369 2.252 30 10 IEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267268052 PFSAQMDYIQEVPS-CABCVRRESA-N 446.357 2.009 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267479594 NRQCFIKYGORQQJ-MAUKXSAKSA-N 443.353 2.462 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 2267525640 HRMPFXBIFCQFEL-GDBMZVCRSA-N 448.373 2.330 30 10 IEEE CC[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267549240 KXCJIKOFRDJONA-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2267879690 KEKBMOAYHAOXTL-UHFFFAOYSA-N 446.357 2.153 30 10 IEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268654510 AHHUXDWRPIUJQS-WMLDXEAASA-N 447.341 2.344 30 10 IEEE COc1cccc([C@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 2296550421 RUVGDQJNKFUXAI-FQEVSTJZSA-N 426.469 2.351 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315637022 CFXDTLOGFHBCOG-IPYPFGDCSA-N 449.382 2.428 30 10 IEEE CC1(C)OB(c2cccnc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2320440769 INHPLQBFNXXRRB-GOSISDBHSA-N 426.322 2.078 30 10 IEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2cccc(OC)c2)cc1 2331005300 TZXLLVCIBAANOU-UHFFFAOYSA-N 442.493 2.115 30 10 IEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331273884 VPBGWGCEXYVGJU-UHFFFAOYSA-N 447.502 2.445 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C[C@@H](O)C1 2339452681 LZHWUZFTYPYKIS-GOSISDBHSA-N 443.353 2.275 30 10 IEEE C=CCN(CC(=C)Br)S(=O)(=O)c1[nH]c(=NC)ccc1Br 2368307079 ZAOKATQCUROWLW-UHFFFAOYSA-N 425.146 2.393 30 10 IEEE Cc1ccc(S(=O)(=O)OC[C@@H](Cn2ccnc2[N+](=O)[O-])O[C@@H]2CCCCO2)cc1 6133749 ADKHTOXGXAAZSE-NVXWUHKLSA-N 425.463 2.417 30 10 IEEE C[C@H]1C[C@H](C)CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 18661857 CCNSRVWVDRIMOW-IRXDYDNUSA-N 447.557 2.007 30 10 IEEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 24379685 QXZJIUGBDMWEKV-NRFANRHFSA-N 444.532 2.212 30 10 IEEE C=CCCOc1ccc(-c2nnc(CCC(=O)NC[C@H]3CCCO3)c(O)n2)cc1OC 34767486 GMEAJOBYQQCKDJ-MRXNPFEDSA-N 428.489 2.436 30 10 IEEE COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)NCc4ccc(C)cc4)cc3=NC2=O)cc1 211040564 HWRPCJIVRWPUMG-UCQKPKSFSA-N 439.471 2.480 30 10 IEEE CN(C(=O)c1cc(C#N)cn1C)[C@H](CNC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1 434352682 HLISMEZVENQPFW-OAQYLSRUSA-N 432.459 2.489 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 437831171 AFXSQVJPEYRIFG-QGZVFWFLSA-N 436.940 2.350 30 10 IEEE C=CCc1ccc(OC[C@H](O)CN2CCCc3c2cccc3S(N)(=O)=O)c(OC)c1 440382031 RQQRMCCUIPVZNB-QGZVFWFLSA-N 432.542 2.264 30 10 IEEE N#Cc1ccc(N2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)c(Cl)c1 443940436 ICYJMQFQIIUSOQ-UHFFFAOYSA-N 444.944 2.188 30 10 IEEE C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 460807727 FTSFOJTZNMNQAN-FQEVSTJZSA-N 436.560 2.422 30 10 IEEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2ccc(F)c(F)c2)cc1 470439209 UQGAIWQLLVZMEO-QGZVFWFLSA-N 430.436 2.106 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([C@@H]4CCCO4)[nH]n3)CC2)cc1 473854375 GINBTSMFYSJYGI-SFHVURJKSA-N 429.502 2.172 30 10 IEEE CCS(=O)(=O)c1ccc(CC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 476180326 XUROYLWGJJPHAW-KRWDZBQOSA-N 432.498 2.430 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@H]2CCCO2)c1=O 478753122 JRPQFEFIJVURQT-LJQANCHMSA-N 448.548 2.252 30 10 IEEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 482303572 MTNPKUUZPFUWLC-SFHVURJKSA-N 447.561 2.157 30 10 IEEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CCCC1 486845543 WSTYCYFKGKMNFD-OAQYLSRUSA-N 448.571 2.489 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C)CC1 507963568 QUSRFAIVRFYUIF-UHFFFAOYSA-N 439.347 2.125 30 10 IEEE Cn1nc(O)c2c(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc(C3CC3)nc21 509724663 OWDHHUUFJSUQNY-QGZVFWFLSA-N 430.468 2.348 30 10 IEEE CS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 523348405 DGHLUNYEMRIZKK-UHFFFAOYSA-N 430.505 2.274 30 10 IEEE COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 527330338 HLDDAQQKLGEQDN-UHFFFAOYSA-N 440.431 2.324 30 10 IEEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(Cc2ccccc2)c1=O 552010136 VTFIKAYCTQMRPX-UHFFFAOYSA-N 440.528 2.386 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 555264315 WNIXOSPNLWKSTB-LJQANCHMSA-N 445.951 2.487 30 10 IEEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCN(CC)CC1 570367252 OTWWCQDWTURTHE-UHFFFAOYSA-N 430.578 2.058 30 10 IEEE CNC(=O)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 582619504 QFTUKPCYSRWWST-FQEVSTJZSA-N 438.532 2.117 30 10 IEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCCO1 588152310 NNXGIZISPRUSNM-HOCLYGCPSA-N 444.528 2.355 30 10 IEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 603806498 VACZUTLRMCOAFR-UHFFFAOYSA-N 434.456 2.068 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 609458702 IFJBMOKOAMSRJD-INIZCTEOSA-N 436.559 2.126 30 10 IEEE CCN1C(=O)[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CCN2C1=O 610605581 GJLDJKIFNFXURV-MRXNPFEDSA-N 429.546 2.186 30 10 IEEE COC(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1Cl 611002454 PVMGIVPSJQJMEE-UHFFFAOYSA-N 434.905 2.341 30 10 IEEE Cc1c(C#N)c(O)nc(=O)n1-c1cc(Br)ccc1I 705619729 ZANVFVWTMPEQPI-UHFFFAOYSA-N 432.015 2.485 30 10 IEEE C[C@@H]([C@H](C#N)NC1CC1)n1cnc(I)c1I 711011497 VNILSUWBUCAUPS-XPUUQOCRSA-N 442.042 2.297 30 10 IEEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 731861632 IEIOGYBHEYFYGU-JZJYNLBNSA-N 431.855 2.289 30 10 IEEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)CC(=O)N2C)cc1 734966570 ISIHUDWDUVPJQT-VQIMIIECSA-N 447.900 2.245 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCc1csc(-c2ccc3c(c2)OCO3)n1 741340755 GSVIRKPKQVVRQK-HNENSFHCSA-N 427.438 2.499 30 10 IEEE CCCCS(=O)(=O)N1CCC(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 742194487 YKLQAUPKABSJDW-UHFFFAOYSA-N 432.590 2.485 30 10 IEEE CCn1c(C)cc(C(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 745495065 FFLIUGFTMIZSMY-CYBMUJFWSA-N 431.514 2.368 30 10 IEEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 746288824 BEUNUZBVXMKXDV-UHFFFAOYSA-N 444.538 2.470 30 10 IEEE CN(Cc1ccc(Br)c(F)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 755701633 FHJIXPXJLAYVSM-NXVVXOECSA-N 425.258 2.256 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757447770 KMBFBYXXBUZSDM-FQEVSTJZSA-N 436.464 2.128 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 763567334 HIMZQFUANCYFOY-WMZOPIPTSA-N 428.537 2.430 30 10 IEEE C[C@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)Nc1sc2c(c1C#N)CCC2 768427129 GAGRMXMQXSXDLS-VIFPVBQESA-N 440.558 2.412 30 10 IEEE Cn1c([C@@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)nc2ccccc21 777284940 AGVJQUQOXKQQGR-WMLDXEAASA-N 425.489 2.265 30 10 IEEE Cc1ccccc1CN1CCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780177907 ARWBLTLSNZQYCQ-XMMPIXPASA-N 443.544 2.444 30 10 IEEE Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc21 800591761 CRQGUKQKYZLPHG-KRWDZBQOSA-N 437.548 2.071 30 10 IEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)S(C)(=O)=O 800773779 LWWZVPPBLHFZBY-UHFFFAOYSA-N 444.561 2.120 30 10 IEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 802009590 YJIKXXSCZAXRKR-GBXCKJPGSA-N 447.624 2.402 30 10 IEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC)[C@H]1CCS(=O)(=O)C1 812040454 WCNVRXDVDABCBV-KRWDZBQOSA-N 432.546 2.388 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 856616277 VSTVYQPXVBHZMG-VQTJNVASSA-N 440.544 2.014 30 10 IEEE C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 919959133 DWAJMGOZUMGBBD-UHFFFAOYSA-N 425.388 2.351 30 10 IEEE C=CCN(C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1)[C@H]1CCS(=O)(=O)C1 1136358356 OERMNXMQILULIK-HNNXBMFYSA-N 442.463 2.348 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)s1 1136744168 MBJZEKPYNQBWTF-OAHLLOKOSA-N 445.607 2.420 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3COc4ccc(O)cc4O3)c(C#N)c2N)cc1 1137138042 ZULCAFHJEOWGNZ-OAQYLSRUSA-N 433.468 2.229 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)CCO)cc3)n[nH]2)c1C 1152071370 XDPCHOROCRKOGO-UHFFFAOYSA-N 429.502 2.094 30 10 IEEE Cc1[nH]nc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1I 1154116219 BEFZITLFWJUXDA-CYBMUJFWSA-N 449.252 2.120 30 10 IEEE C#CCN(C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)C1CCN(C)CC1 1156646616 KMBFRLOICKICQT-UHFFFAOYSA-N 431.583 2.396 30 10 IEEE Cn1cc(I)c(=O)n(Cc2ccc(C#N)cc2C(F)(F)F)c1=O 1165934067 YYLFSUWQRHEMHG-UHFFFAOYSA-N 435.143 2.090 30 10 IEEE N#Cc1ccc(Nc2cccc(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)c2)cc1 1177371922 AYPTVFPWZFVEEB-UHFFFAOYSA-N 441.491 2.464 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)cc1 1198251933 RPGQLQYBZIEDKO-KRWDZBQOSA-N 435.550 2.108 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cnn(C)c2C)c1 1286312282 WAFCVTZCSBRDHI-LJQANCHMSA-N 447.543 2.319 30 10 IEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286358113 HSKYUXGPEIOGCQ-FGTMMUONSA-N 442.564 2.083 30 10 IEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286358580 YMWAJKKLHLLBMJ-KRWDZBQOSA-N 432.546 2.293 30 10 IEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(=O)NC)c1 1286377529 YMZNEGSDWSSURF-UHFFFAOYSA-N 427.512 2.188 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN(C(C)=O)C1 1286409455 MBNYKYQLUXPYIU-KNQAVFIVSA-N 433.512 2.122 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1286441122 QMMCDFJUAVIIOI-UHFFFAOYSA-N 444.967 2.231 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(=O)NCC)c1 1286465373 LVRIOPXMYNHPNH-HXUWFJFHSA-N 425.533 2.404 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccn(C)n2)CC1 1286472417 SPWZZWGQJRVAHM-GOSISDBHSA-N 437.523 2.289 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCOC2)CC1 1286474154 CODSAQCNMBXHQG-GOSISDBHSA-N 425.533 2.144 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286711671 OIKGRHICAGJTPT-LJQANCHMSA-N 443.504 2.272 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(C)(=O)=O)C1 1286799806 AHNTUMDHGUDNFG-MAUKXSAKSA-N 438.525 2.383 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnnn2C)C1 1286811274 ATKFRINALMZLLU-GOSISDBHSA-N 429.912 2.469 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1286818340 HHGNSPQWGWIMQX-UHFFFAOYSA-N 443.577 2.434 30 10 IEEE C=CCS(=O)(=O)CCn1c(N(C)C[C@@H]2COc3ccccc3O2)nnc1C(C)(C)C 1286825172 MTHAGJDCPBNLSZ-MRXNPFEDSA-N 434.562 2.453 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1286964868 FDCAKRMCFCQSNG-GXTWGEPZSA-N 437.426 2.209 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)s1 1292735767 NHXGLJUHIBDFCD-UHFFFAOYSA-N 443.497 2.130 30 10 IEEE CCc1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293112421 DWULZQPHYMFFRM-QURGRASLSA-N 441.580 2.068 30 10 IEEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1298582654 BFCVAEMCBQLDFC-UHFFFAOYSA-N 438.532 2.178 30 10 IEEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2cccc(C#N)c2C1 1300168519 NVUHCENHTWEJFQ-FQEVSTJZSA-N 441.509 2.130 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300495030 BTIMAMDPAQZVCC-LSDHHAIUSA-N 434.484 2.489 30 10 IEEE C#CCN(c1nnc(CC)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300499670 VYNMJFPECOXMDD-ZWKOTPCHSA-N 446.573 2.191 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1300532387 UPMOPOLEKHMPFJ-SFHVURJKSA-N 429.528 2.399 30 10 IEEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCN(C)C1 1300674885 HMIYDWGUSQBHHL-JOCHJYFZSA-N 429.590 2.031 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCC[C@H](C)C2)CC1 1300690847 KHEVMACHXNZBDE-SFHVURJKSA-N 427.984 2.481 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1300732295 AIQSWGLGNXBBQT-IAGOWNOFSA-N 426.546 2.440 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1300829819 BCLZZIQBUORDEV-XHSDSOJGSA-N 445.358 2.295 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300927482 GTXXWSLKEASAIN-DOTOQJQBSA-N 428.924 2.152 30 10 IEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)OC 1301029275 DXGRVUJSCYDVNA-VQIMIIECSA-N 429.521 2.394 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1301072283 GXEXSNOOSRJFHN-SFHVURJKSA-N 443.573 2.420 30 10 IEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1301520293 WFNQBFHJBWEGRL-UHFFFAOYSA-N 429.365 2.438 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCC[C@@H]1C=NNC1=O 1301570240 CJCBYUFDSRXULH-AEFFLSMTSA-N 425.489 2.021 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CCCO1 1301588016 ZVVZZHMIXYUUDJ-LJQANCHMSA-N 443.573 2.497 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H]2[C@H](O)C(C)(C)[C@@H]21 1302381166 DLDYOZVLMCHOPE-ISARSNTHSA-N 433.574 2.148 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2nc(O)n(C3CC3)c2c1 1302905205 ZGOFMWSDZCMVLL-LBPRGKRZSA-N 425.470 2.254 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1305116642 FRMYJACITPQQPJ-QGZVFWFLSA-N 438.532 2.212 30 10 IEEE COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3ncc(C#N)cn3)C2=O)cc1 1307241191 ZSKAKXPZDYRLDG-UHFFFAOYSA-N 429.436 2.361 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3ccncc3)CC2)c1 1309659262 OBXUWRPSXGOMLW-UHFFFAOYSA-N 428.558 2.188 30 10 IEEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(C(N)=O)CCOCC2)c1 1315555952 FLWZHOSZUAAAOI-UHFFFAOYSA-N 438.532 2.366 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(Cl)c1 1316208307 CCRILOGEWJIYBN-HOCLYGCPSA-N 435.912 2.441 30 10 IEEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 1322159479 XBYBVHGEJGIJKA-GOSISDBHSA-N 445.500 2.248 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1358927686 GPQUOHQADPWNBP-UHFFFAOYSA-N 433.516 2.456 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358960333 CANXGBUDWAMBHK-QZTJIDSGSA-N 445.614 2.499 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358962618 TWQAKGMIPOFNCY-JLMWRMLUSA-N 433.622 2.293 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOC1=O 1358986949 MHKZUQPLOVOJAF-UHFFFAOYSA-N 445.321 2.341 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc(OC)nc2ccccc12 1359022636 HLOVVKKCWJRXBF-UHFFFAOYSA-N 431.500 2.370 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)(C)C 1359104344 AHTCEJOGDNCAHL-ZULIPRJHSA-N 449.596 2.334 30 10 IEEE C=C(C)COCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@]1(OC(C)C)CCOC1 1359137229 JMRSRGDQMHOINL-GCJKJVERSA-N 445.568 2.381 30 10 IEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359206118 VBMWIBAYJSJELF-HXUWFJFHSA-N 441.580 2.324 30 10 IEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1359224367 OMKVFYBYDMJOAT-UHFFFAOYSA-N 435.532 2.403 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1359333400 WORFVJVSELKZLY-UFYCRDLUSA-N 435.638 2.388 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cn2cccn2)cc1 1360480832 HPXAFNAGIMIVLP-SFHVURJKSA-N 432.532 2.432 30 10 IEEE CC(C)(CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)S(C)(=O)=O 1451588628 MLVGPIYISNETEE-UHFFFAOYSA-N 428.352 2.086 30 10 IEEE N#CCCN(C(=O)CCC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)c1ccccc1 1460858542 BNEBKXREEYWAOX-UHFFFAOYSA-N 432.527 2.280 30 10 IEEE CCOC(=O)c1c(NC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c(C#N)cn1CC 1466880373 CDIBUWHJGGOVLA-CYBMUJFWSA-N 436.415 2.396 30 10 IEEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)CC1 1470366449 PAOJTGATEIXXHY-UHFFFAOYSA-N 428.510 2.121 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3snc(C)c3C#N)CC1)CCS2 1471533359 UIZKIXSQIWOEKV-RDYUPDBUSA-N 449.602 2.372 30 10 IEEE C#CC[C@@H]1CCCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1473582371 VCYSPJXKPIVDEV-GOSISDBHSA-N 437.544 2.058 30 10 IEEE CC(C)(NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C#N)c1 1473636413 XERAYVFLSXVCKG-UHFFFAOYSA-N 442.541 2.043 30 10 IEEE C=CCC[C@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1479052888 LITNAAPCMDNGGU-QGZVFWFLSA-N 444.536 2.418 30 10 IEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1507600460 GISXNXFGIVVBKB-SFHVURJKSA-N 444.605 2.242 30 10 IEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@H]1C 1507605118 PJSUDWBSDNRRRZ-WBVHZDCISA-N 430.578 2.289 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCC)cc2)CC1 1507728303 XHTMOSUSHFHZMJ-UHFFFAOYSA-N 433.560 2.342 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCCC2)CC1 1507733439 YXACMKUIAAPNPB-UHFFFAOYSA-N 440.617 2.430 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507751529 PBQWNTGUVSUDDF-UXHICEINSA-N 433.622 2.087 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1507761207 KUSKBSCGQQIICA-YADHBBJMSA-N 427.553 2.317 30 10 IEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507861827 SVIRLZCNCTVXHA-OXQOHEQNSA-N 443.983 2.472 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccsc2)CC1 1508072292 PEFGYOCMYYFTAV-UHFFFAOYSA-N 428.562 2.262 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1508078263 XNUBTXTWFACUFW-MRXNPFEDSA-N 444.536 2.500 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(C)c2)C1 1508127889 XBYVBTPVAAHRNT-QZTJIDSGSA-N 434.537 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(C)(C)C)CC1 1508140751 JTSDIOHOJJHQDJ-SFHVURJKSA-N 439.626 2.084 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)C 1509944983 AWUIOXMJVMDTIU-CYBMUJFWSA-N 435.326 2.446 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnc3n2CCC3)cc1C 1510927128 GWIIYSAKYZKBHP-AWEZNQCLSA-N 433.520 2.329 30 10 IEEE Cc1nccnc1CCn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1 1511622161 GNYIPQKMLARTFP-UHFFFAOYSA-N 431.504 2.397 30 10 IEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CCOC1 1516129797 IUJVQTMWZPYGFC-RPHTVSPISA-N 433.553 2.397 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1517106846 AKRXBZHNHHVXSE-ABDBUPHLSA-N 447.499 2.164 30 10 IEEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1519390295 UEFDUXYMUUNTIU-GOSISDBHSA-N 440.548 2.317 30 10 IEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1519512714 VNBLPBMBEQXELV-UHFFFAOYSA-N 439.488 2.112 30 10 IEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCc3c(C#N)cccc32)cc1 1530969468 HAZXPVCPAKPWEQ-UHFFFAOYSA-N 426.498 2.117 30 10 IEEE C#CCSCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1531592659 SWHYZJHQPCKWRF-AWEZNQCLSA-N 431.377 2.085 30 10 IEEE Cc1cccc2c1C[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CO2 1533672429 LFXLXIVUQKOUSA-IBGZPJMESA-N 439.537 2.387 30 10 IEEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1539126550 YBHLMPZUVMWDMW-GOSISDBHSA-N 439.626 2.157 30 10 IEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(C)=O)cc1 1539273051 INPXMZMQOGNQGM-UHFFFAOYSA-N 446.536 2.349 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1539390171 LPHUFORMIBOIFB-GOSISDBHSA-N 438.507 2.054 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539743050 STVDYRDEPOXCOJ-LJQANCHMSA-N 439.568 2.396 30 10 IEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1539966248 HXZDIOBNAOXHLM-QGZVFWFLSA-N 427.571 2.278 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccccc1 1540906930 GZZGHIJCMVGYIM-KRWDZBQOSA-N 431.562 2.199 30 10 IEEE COc1cccc(N(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C(=O)OC(C)(C)C)c1 1542978863 ZPRBZYOMALFLPS-VXPUYCOJSA-N 444.488 2.079 30 10 IEEE CC[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)N(C)C 1545608705 BGUJGNYOMVQUHC-UHOSZYNNSA-N 430.578 2.427 30 10 IEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1546026065 BJUPSYITMXCNAC-UHFFFAOYSA-N 434.548 2.428 30 10 IEEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1547192889 FGRLIZFWWPMMRZ-RTBURBONSA-N 434.610 2.185 30 10 IEEE Cc1ccc(C(=O)NCC(=O)c2sc(C(C)C)nc2C)cc1S(=O)(=O)NCC#N 1558174758 XQAOLUJEKVVLPF-UHFFFAOYSA-N 434.543 2.298 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOc3cccc(Br)c3C2)CC1 1559947237 NXEHOUNPQIVTSX-GOSISDBHSA-N 435.366 2.336 30 10 IEEE CCN1CCN(C[C@H](C)CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1564036983 FMJKIULXVJBYKC-HXUWFJFHSA-N 426.609 2.095 30 10 IEEE C[C@H]1CN=C(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)S1 1565741438 DQIBFQDSLITRHR-YYOAPQJESA-N 447.605 2.409 30 10 IEEE CCCCOc1ccc(C=NOCC(=O)N2CCC3(CC2)CNC(=O)N3C)cc1OC 1570563619 USXAFUPKDLNPSN-UHFFFAOYSA-N 432.521 2.241 30 10 IEEE C=CCn1c(SCC(=O)N2CC[C@@H](O)[C@@H](O)C2)nnc1-c1ccc(Cl)cc1Cl 1587420272 WYIRLQVBKDNLFO-CABCVRRESA-N 443.356 2.484 30 10 IEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1587807315 AZHPJRYEXFHORE-KRWDZBQOSA-N 429.496 2.266 30 10 IEEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1588262092 CGERRAHLVNFICZ-NRFANRHFSA-N 438.576 2.167 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCCNC(C)=O 1588560688 UUPCXYZPRQXDAH-UHFFFAOYSA-N 437.523 2.445 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](CC)OC)CC1 1588946332 BQBHXAWMLRBZOE-FQEVSTJZSA-N 427.524 2.399 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccnc2-n2cccn2)CC1 1588947076 KWYQSBOLRPZCNG-UHFFFAOYSA-N 446.559 2.071 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)Nc2c(C)cccc2C)CC1 1594013293 FCHQRWKPTGXSER-KRWDZBQOSA-N 446.577 2.300 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1595705603 BWISHQGIHUIMOA-LEWJYISDSA-N 439.608 2.395 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC[C@H]1COCCO1 1619446574 WKXLGESRZFCVHF-SFHVURJKSA-N 427.505 2.411 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](N4CCOCC4)CC3)CC2=O)cc1Cl 1623874575 BTFRQIUERPNNRV-MSOLQXFVSA-N 430.936 2.278 30 10 IEEE CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1625651504 SJHVNILJFMLGSK-UHFFFAOYSA-N 432.458 2.451 30 10 IEEE C#CCN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CCN(C)CC1 1626637523 MBVCXZYRDIOBNQ-UHFFFAOYSA-N 431.334 2.105 30 10 IEEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1630023693 LXDUBDKWNRCWSY-JXMROGBWSA-N 433.480 2.042 30 10 IEEE C=CC1(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCOC)CN(C(=O)OC(C)(C)C)C1 1631190373 XUPHCLKXLSULFE-IBGZPJMESA-N 445.560 2.290 30 10 IEEE C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H](CC(F)(F)F)O1 1633624857 WMYCGWRRGHODNL-UHOFOFEASA-N 438.406 2.332 30 10 IEEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1634460853 PXBUDVXHRXJFDN-OFLPRAFFSA-N 438.488 2.461 30 10 IEEE C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814401 RZAYYKUJHTVYTK-GOSISDBHSA-N 440.544 2.291 30 10 IEEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2cc(C#N)ccc2O)cc1 1637620525 UFTWJLSGEBHTTA-APWZRJJASA-N 429.498 2.150 30 10 IEEE CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1639555668 CADLRWHUSOLWBU-UHFFFAOYSA-N 440.569 2.180 30 10 IEEE Cc1cc(C)n(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n1 1639782909 QKIJWKUMFMEILK-UWVGGRQHSA-N 433.299 2.490 30 10 IEEE N#Cc1cn(CCC(=O)Nc2ccc(I)c(Cl)c2)c(=O)nc1O 1648161170 ZRPKILQHTTXIRG-UHFFFAOYSA-N 444.616 2.107 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1OCC(F)F 1649538291 BISOOGRQSTUKFL-YCRPNKLZSA-N 435.475 2.475 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCOC1 1649672824 DRVIBWDNJLDRBE-RBUKOAKNSA-N 449.353 2.328 30 10 IEEE C=C(C)C[C@@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OCC 1651052178 ISPDJGJAHJGZCN-GOSISDBHSA-N 432.517 2.383 30 10 IEEE O=C1C=COC2(CCN(C(=O)CS(=O)(=O)Cc3ccc(Br)cc3)CC2)C1 1652926166 RPRNMFHSIDRUPH-UHFFFAOYSA-N 442.331 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1654478874 HKCQHKZVGRQHLN-ZCNNSNEGSA-N 437.581 2.452 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)CC1 1676560944 IQTFNBYSMMCPFL-NRFANRHFSA-N 434.606 2.377 30 10 IEEE COc1cc(CNC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)ccc1C#N 1682153823 JCGZZTVEULVEIB-CQSZACIVSA-N 430.262 2.087 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1689893092 UCOAPVQZENZXOY-JKSUJKDBSA-N 447.527 2.057 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1689901266 HBWXYBSSTLLTLB-UHFFFAOYSA-N 426.487 2.278 30 10 IEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1689982618 QSPRDTYLUCTXBR-SFHVURJKSA-N 444.948 2.191 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1689986735 WCNAYIFTCUUVFE-JTSKRJEESA-N 446.573 2.132 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1690072673 POJGPZPDTJYLRM-UHFFFAOYSA-N 449.540 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)cc2OC)CC1 1690146319 KZQJDVGXRHZKDL-HXUWFJFHSA-N 437.544 2.113 30 10 IEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1690254928 LEZJNMAXGJFQKT-GOSISDBHSA-N 426.569 2.319 30 10 IEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1690354141 GNZUAKYAOZHHAT-UHFFFAOYSA-N 434.928 2.470 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690676394 YQXPUELDQUMGHT-PXNSSMCTSA-N 425.533 2.471 30 10 IEEE CC(C)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1691663491 ZFMXOQYZXBAKMI-XUTLUUPISA-N 438.488 2.293 30 10 IEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCNC(=O)C(C)C 1692500885 URRJRORJQGMZEW-UHFFFAOYSA-N 425.537 2.087 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN(C)c1ccccc1 1692782195 FBAVIGOTZQONTQ-KRWDZBQOSA-N 445.593 2.155 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1693728790 GIOWAUSLQBRBKY-SSMANRBRSA-N 435.532 2.273 30 10 IEEE C[C@@H]1SCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1693876591 OMRBSLHFMZNLFQ-NYAYQYMKSA-N 439.545 2.197 30 10 IEEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C)(C#N)CC2)CCC1 1695925176 PXZSMAXIVKQUSN-ROUUACIJSA-N 444.580 2.439 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 1697484714 JKQIQYCRNOCCLB-QHCPKHFHSA-N 438.532 2.474 30 10 IEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1705564219 MPQBPBJEPWBOBS-SFHVURJKSA-N 444.557 2.173 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCCOC)cc2)CC1 1705638672 SFMPAAGDWMFEAL-UHFFFAOYSA-N 446.555 2.477 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)[C@H](C)CC)CC1 1705648742 XMPWWIYHEBAINZ-QUCCMNQESA-N 430.597 2.216 30 10 IEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccnc2N2CCOCC2)CC1 1705762606 DHTDFAUDLHHFCY-LJQANCHMSA-N 442.564 2.438 30 10 IEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705799930 KMWDGSVMTDUEBY-KRWDZBQOSA-N 442.568 2.170 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705813558 LTDBCGSIFDLXKB-UHFFFAOYSA-N 449.577 2.400 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1705860838 WZXSAVOHBDOHOR-WIYYLYMNSA-N 449.559 2.014 30 10 IEEE C=CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705949426 YLIBFYUUALPISV-NHCUHLMSSA-N 437.610 2.200 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cccn1 1706068272 HLADDVVDGABAMW-MRXNPFEDSA-N 427.534 2.231 30 10 IEEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1711007007 FATBITCIJJNHJS-QHCPKHFHSA-N 430.516 2.028 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1711241386 MHHHQYAFTTUGPH-CZIZESTLSA-N 425.493 2.120 30 10 IEEE CN1C[C@](C)(Cn2c(N3CCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1=O 1711271220 DEWKFPSUBZSZDN-XMMPIXPASA-N 435.576 2.248 30 10 IEEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1712686544 WBFIKNDIXATKMW-OXQOHEQNSA-N 433.509 2.066 30 10 IEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371284 IODKDCDBWLMMKQ-GBESFXJTSA-N 428.558 2.448 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(NC(N)=O)cc1 1722425947 RORJCMXNUJSFEW-UHFFFAOYSA-N 439.545 2.259 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCc2cnn(C)c2)CC1 1722442303 UXKKFIXFLUMXDR-UHFFFAOYSA-N 437.523 2.118 30 10 IEEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722482249 GUMCEXADAITZOO-UHFFFAOYSA-N 434.342 2.431 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1722492806 VEQLWWNDDCQIRB-PMPSAXMXSA-N 443.639 2.201 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1722494419 MHQKCRJSEBXPQZ-DYVFJYSZSA-N 449.353 2.343 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1722629925 PWCOHAJDFJOSQK-RTBURBONSA-N 438.594 2.026 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1722630070 UOVIQGBFZFJODF-FQEVSTJZSA-N 441.532 2.442 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1722720267 AISRQSHOLYMHFZ-LJQANCHMSA-N 445.589 2.403 30 10 IEEE CCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cs1 1727470068 NEXYHQUOSDTCEV-IBGZPJMESA-N 426.481 2.435 30 10 IEEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1727849229 QQFYUCSCWYPUHU-JZLODUJNSA-N 443.577 2.053 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1740530937 BHCCHTZUGXURIX-SJORKVTESA-N 429.546 2.040 30 10 IEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740577374 BHGMKTJBRUDUBZ-OAQYLSRUSA-N 425.533 2.310 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC 1740658374 HWKBGQDQMMMEBG-RBBKRZOGSA-N 433.512 2.243 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)(F)F 1740677848 STQIAWSILJJJGP-UHFFFAOYSA-N 449.412 2.136 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCSCC#C)CC1 1740707134 QJVGHGJVVZEGEV-UHFFFAOYSA-N 439.560 2.340 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1740707786 POFJPJRVCOODOE-QGZVFWFLSA-N 443.523 2.387 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN2CCSCC2)CC1 1740708352 MJRUOBSPFRPGJR-UHFFFAOYSA-N 444.649 2.025 30 10 IEEE CC(C)(C)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)on1 1741176342 AVRBUYGSYSEBBW-MRXNPFEDSA-N 449.515 2.374 30 10 IEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1741835844 KBLJCPFLESAVHX-HNNXBMFYSA-N 428.500 2.302 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1 1743198013 MWJQEXOOMFQPEG-QGZVFWFLSA-N 430.516 2.381 30 10 IEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1 1743205739 VEOHYTBKFWMGSQ-CYBMUJFWSA-N 426.427 2.327 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746285659 YIBWFVOJIDMUBM-RWNPKEDZSA-N 428.537 2.467 30 10 IEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ncn(-c3ccccc3)n2)CCOC1 1746645844 AJTNMIABDGKSAP-JTSKRJEESA-N 436.520 2.298 30 10 IEEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1747595494 DXOAJRRIVFBZPZ-UHFFFAOYSA-N 442.564 2.230 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1747730034 BQMHNGIIRVIYBM-LJQANCHMSA-N 429.546 2.115 30 10 IEEE CN(Cc1ccsc1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747784633 OGOOHPOHELXIFQ-MXLIYFDZSA-N 442.545 2.396 30 10 IEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)CC(F)(F)F 1747948925 IABOWEJSNRESAO-IRXDYDNUSA-N 447.465 2.026 30 10 IEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1748752422 WTUMBWNMRPIPTE-APWZRJJASA-N 432.546 2.463 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)[C@H](C)CC)CC1 1748983953 DHHUSSHMHHNONY-HXOBKFHXSA-N 425.533 2.226 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC2CC2)CC1 1748984297 PWRIFTCBEUHYEE-UHFFFAOYSA-N 447.992 2.179 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749134034 TUSIDXWJRHVSMN-UWJYYQICSA-N 425.533 2.490 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1749139451 FKJAGUSQLQVDHJ-WMZOPIPTSA-N 439.626 2.417 30 10 IEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1)C1CC1 1749510280 CWNNRDSPLZHTFS-OAQYLSRUSA-N 432.546 2.309 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(-n2cccn2)c1 1749831130 WLNSAJABCSSYHU-LJQANCHMSA-N 436.520 2.168 30 10 IEEE CC(C)[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1750682887 JVBTYFKSKFNRTG-FTHOYRMOSA-N 430.578 2.335 30 10 IEEE CC[C@H](C)c1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752726056 HQVYWKVQOGORBV-KCIPDDBGSA-N 428.537 2.325 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760186305 BNEPIDDJYFDPFG-LJQANCHMSA-N 430.578 2.158 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1760486858 BRRCVNGPECXOHI-MRXNPFEDSA-N 447.590 2.116 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760534011 YQOIHKROXNVLFD-NEWSRXKRSA-N 441.532 2.082 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2COCCO2)C1 1760536590 CPHYOAJSSIPGFT-ZWKOTPCHSA-N 430.505 2.159 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1764191679 KHSCHBFNFRLXDQ-RTBURBONSA-N 442.520 2.094 30 10 IEEE CCCN(CC)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765987293 GJXYMEYRHZVCOP-FQEVSTJZSA-N 438.580 2.107 30 10 IEEE CN(C)C(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1766877876 KINPXPFGZMYEOA-IYBDPMFKSA-N 445.568 2.267 30 10 IEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)C1 1769173354 WWPMAFHLZGOKND-OAQYLSRUSA-N 428.562 2.444 30 10 IEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1770932801 AGGCHMSXULJLSR-PGRDOPGGSA-N 427.505 2.007 30 10 IEEE Cc1cc(C)cc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1851587687 VKDROAVHEBSIGK-NRFANRHFSA-N 447.539 2.288 30 10 IEEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4F)C3)CO2)nc1 1851782600 GMQDBOYAQMNXGU-DZGCQCFKSA-N 430.823 2.462 30 10 IEEE Cn1cc(N2C[C@@H](C(=O)Nc3c(C#N)cnn3-c3cccc(C(F)(F)F)c3)CC2=O)cn1 1852647240 KPIZVQUIGYVJJI-LBPRGKRZSA-N 443.389 2.488 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)C[C@H]2COc3ccccc3O2)cc1 1852771932 BRHNREGFVVLEBI-SFTDATJTSA-N 438.480 2.411 30 10 IEEE CN(C)C=NC(=S)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1853133442 GFJVGDXOZUUKPC-UHFFFAOYSA-N 430.983 2.074 30 10 IEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)c1 1856269954 JGWNDCOYGIDLGQ-QGZVFWFLSA-N 425.510 2.166 30 10 IEEE CCN(C(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N)[C@@H]1CCS(=O)(=O)C1 1858203076 LCKSEVRQDTUHIG-OAHLLOKOSA-N 449.554 2.251 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 1862749419 XVXAEDXWVQNPMH-SFHVURJKSA-N 427.388 2.448 30 10 IEEE C=CCn1c(C(=O)N(CC)CC)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875229830 HEHOLSUCLRFSHT-UHFFFAOYSA-N 442.545 2.359 30 10 IEEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 2010515462 JPSOOAUYHFCJLV-WOJBJXKFSA-N 428.533 2.295 30 10 IEEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 2054343281 OSSNEMVZKSKNOR-CYBMUJFWSA-N 439.372 2.373 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCN(CC#N)CC2)C1 2060788680 VVNVRUVBSKFYEF-XMMPIXPASA-N 442.560 2.498 30 10 IEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(CNC(=O)OC(C)(C)C)n1 2060810636 BMKKNZNAPUCDPL-SFHVURJKSA-N 438.532 2.295 30 10 IEEE C#CCOCCOCCOc1ncc(I)cc1Br 2069488724 YWGZDQNUBJLJAK-UHFFFAOYSA-N 426.048 2.494 30 10 IEEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCC#CCCO 2229108147 SQFBQVVCZIRWTP-MRXNPFEDSA-N 425.323 2.387 30 10 IEEE Cc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2232308159 UMWATVGRKPCTKI-NJAFHUGGSA-N 445.369 2.418 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2247921188 KVDFVHROMZWCJM-BETUJISGSA-N 435.355 2.276 30 10 IEEE C=C(CS(=O)(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2)B1OC(C)(C)C(C)(C)O1 2247962079 KVQMFBHJMNPGFW-QRWLVFNGSA-N 442.387 2.493 30 10 IEEE CN(C)C[C@@H](COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)NC(=O)OC(C)(C)C 2254760032 TUXVVHCPVMBBTE-AWEZNQCLSA-N 439.337 2.354 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255630261 HZADCVTXZYCXGX-QWRGUYRKSA-N 447.288 2.114 30 10 IEEE Cc1nc(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255640969 NIVFUVGMKAVJGJ-ASSNKEHSSA-N 449.382 2.490 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2255674495 YWNPFJJFHBHANH-QGZVFWFLSA-N 431.342 2.414 30 10 IEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255838430 GFHMERVNSFVYDN-UHFFFAOYSA-N 436.362 2.095 30 10 IEEE CC1(C)OB(c2occc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255847636 ZDJFZPJBIBTVKA-LBPRGKRZSA-N 430.232 2.110 30 10 IEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N=c1[nH]c2c(cc1C#N)COCC2 2263227516 MJHNHNDBIAGXRX-UHFFFAOYSA-N 447.536 2.278 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266060558 WRWHOFNPIVKBIM-CQSZACIVSA-N 449.332 2.080 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267128949 VRESUHVHYYJGGG-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@]1(C)CCN1C(=O)OC(C)(C)C 2267167286 DHKULPXUUIARBQ-JOCHJYFZSA-N 448.373 2.239 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 2267179554 RKLOWBZSFDRRGA-HNNXBMFYSA-N 448.373 2.239 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)n1 2267180851 JVMTZEUDULUJKB-IBGZPJMESA-N 438.381 2.361 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267189270 YHEFAUFPLHRFMG-GJZGRUSLSA-N 448.373 2.285 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267503432 DCQNSHWNGVYLEY-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267515258 LWTGKFLHNQICRY-OAHLLOKOSA-N 448.373 2.048 30 10 IEEE CC[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2267549238 KXCJIKOFRDJONA-GDBMZVCRSA-N 448.373 2.237 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2267567018 HJJGWAWNLILENK-QZTJIDSGSA-N 447.385 2.211 30 10 IEEE CN(C[C@@H](O)CN(C)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267580919 LVZUMMZPRNUZGU-INIZCTEOSA-N 448.369 2.286 30 10 IEEE Cc1nc(NC(=O)C23CC(NC(=O)OC(C)(C)C)(C2)C3)ncc1B1OC(C)(C)C(C)(C)O1 2268700931 MQYHBKASQHULBH-UHFFFAOYSA-N 444.341 2.470 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@](O)([C@H](N)C#Cc2ccc(Br)cc2)C1 2278791422 RQCCFYHWLUNLIV-APWZRJJASA-N 425.323 2.126 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2315295075 DAVAFQIWCVKERU-CQSZACIVSA-N 436.362 2.378 30 10 IEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccccc2OC)o1 2330761527 DEVMKPLVJBNTFO-UHFFFAOYSA-N 443.485 2.477 30 10 IEEE C[C@@H](C#CC(=O)N[C@@H](Cc1ccccc1Br)C(=O)O)NC(=O)OC(C)(C)C 2366840833 BTEMBSGTPCXABA-WFASDCNBSA-N 439.306 2.478 30 10 IEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccccc2)c1=O 33141018 WXGXGMHUBFAWPC-UHFFFAOYSA-N 425.514 2.435 30 10 IEEE COc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)ccc1O 39843348 PNXBSOPWKYLXAZ-UWSDUSPXSA-N 443.441 2.259 30 10 IEEE CC(/C=C\c1ccccc1)=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@H](O)COC(C)C 254812646 QLASWBIWAKJUKD-DNNFBNDLSA-N 440.504 2.123 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)c1ncc(C#N)cc1Cl)c1ccc(S(C)(=O)=O)cc1 435970066 HVEXQHGHDGQMBG-IBGZPJMESA-N 435.889 2.218 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 461894928 QWNDXYAPZODNTR-JXFKEZNVSA-N 427.526 2.070 30 10 IEEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 478745237 WWBBPVTYCGXKAE-GOSISDBHSA-N 440.565 2.444 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 482607601 PZYRFBXCVPTJLW-IBGZPJMESA-N 440.569 2.336 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2=O)cc1 487172522 SMUIGYVAVJUPLR-HKUYNNGSSA-N 438.919 2.286 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCc3csc(N4CCCC4)n3)C2=O)cc1 487481094 HTBGOZFZUQZBCN-IBGZPJMESA-N 438.557 2.258 30 10 IEEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cc1 522673382 MFZCIPAGXWSYES-IBGZPJMESA-N 438.549 2.360 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCCSC 533201681 HHIVOVNLRPPFDS-UHFFFAOYSA-N 435.640 2.271 30 10 IEEE COc1cccc([C@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C2CC2)c1 544833958 OPVIXRSKKMQONF-QPPBQGQZSA-N 445.523 2.363 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2[C@H]3CC[C@H]2c2ccccc23)CC1 576672405 RSBXHVQJGWDBCU-SFTDATJTSA-N 436.537 2.283 30 10 IEEE CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 604454826 MWNKEJMOMZWJCJ-UHFFFAOYSA-N 444.517 2.078 30 10 IEEE N#Cc1ccc(N2CCC(NC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)CC2)nc1 609001882 RPDJOCGXQRZMES-UHFFFAOYSA-N 438.454 2.165 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(CCO)CCOCC1 613241333 OBXDQLHHUFRXNM-UHFFFAOYSA-N 427.295 2.146 30 10 IEEE Cn1cc(C#N)c(NC(=O)N[C@@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)n1 616096402 VVQAWPZKGSWGJS-SJORKVTESA-N 438.488 2.097 30 10 IEEE C#CCN(C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)[C@H]1CCS(=O)(=O)C1 729333095 LKRZEYNEXNICRF-LBPRGKRZSA-N 427.313 2.145 30 10 IEEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cc1 730139521 QSOSJGWHCNTOBQ-RTBURBONSA-N 448.589 2.264 30 10 IEEE C=CC[C@@H](NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)c1ccncc1 734678098 CSTYDFRBOYBUIQ-GOSISDBHSA-N 429.546 2.139 30 10 IEEE CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 745556334 UWKOZOKLOHQFSH-UHFFFAOYSA-N 437.518 2.435 30 10 IEEE C[C@@H](CC(=O)N(C)Cc1nc2c(s1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 747438666 OVICTHJIEFURAZ-ZDUSSCGKSA-N 432.571 2.498 30 10 IEEE COc1ccc(-c2ccncc2)cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 774520922 MLTMQSNLDYFAMI-FQEVSTJZSA-N 444.516 2.186 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ncn(Cc3cccc(F)c3)n2)C1 780607613 HQQIZDPDRYRPMG-DOTOQJQBSA-N 443.483 2.024 30 10 IEEE COc1cc(Br)ccc1C=NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 781574579 MQKDMCUAJNEBDP-UHFFFAOYSA-N 429.252 2.459 30 10 IEEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782886821 ZWSAOPDSCFLRIY-AWEZNQCLSA-N 448.442 2.352 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)n1 790106170 UVVSPKOMSSLHQA-IBGZPJMESA-N 446.960 2.360 30 10 IEEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnc(OCC3CC3)cn2)c(C(F)(F)F)c1 793128831 WUYYUEZYGWWWCU-UHFFFAOYSA-N 426.376 2.275 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccc(C(=O)OC)cn1 793395541 KWWXROPREIORGI-QGZVFWFLSA-N 445.497 2.209 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2(C(F)(F)F)CC2)C1=O 795181934 DGZUCQUXIWUCJA-GFCCVEGCSA-N 428.436 2.196 30 10 IEEE C#CCN(C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[C@@H]1CCS(=O)(=O)C1 804285857 FWPKMXKSGQJIKN-MRXNPFEDSA-N 427.551 2.488 30 10 IEEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 805232883 QRKFWQSLAQPIBN-LBPRGKRZSA-N 431.395 2.397 30 10 IEEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 858069061 JULRJOVVFGURBK-LJQANCHMSA-N 440.525 2.444 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)cc1 916193485 CKQOJQIVBLUDCM-UHFFFAOYSA-N 433.533 2.327 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)n2C)C1 1116923354 VNXIKIJMQAKYJL-SFHVURJKSA-N 431.562 2.438 30 10 IEEE CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136188208 ZPEMBIIDGTUFTE-UHFFFAOYSA-N 433.461 2.232 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 1137801060 GXSYLKYYXVNBFJ-FQEVSTJZSA-N 440.544 2.339 30 10 IEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C1CCOCC1 1148195111 TWGNGESHZMCIEI-HXUWFJFHSA-N 428.510 2.029 30 10 IEEE O=C1NCCN(C(=O)C#Cc2cccs2)[C@@H]1c1ccc(I)cc1 1179733930 MPTGBPAWARFNCO-MRXNPFEDSA-N 436.274 2.404 30 10 IEEE Cc1oc(NC(=O)CN2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)c(C#N)c1C 1195851139 HNDFDCMVSPJPRM-MRXNPFEDSA-N 444.532 2.361 30 10 IEEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(C#N)c(SC)nc1O 1258173898 ZSXZAFPUKIPOCR-UHFFFAOYSA-N 437.499 2.062 30 10 IEEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286334585 LWAAQRNTKYMTHL-SFHVURJKSA-N 431.924 2.265 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1286360169 CVZYTCKDCZPYDU-SJORKVTESA-N 429.496 2.122 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1286389446 KEYCEBVKNXBPRO-FQEVSTJZSA-N 433.622 2.294 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)n1 1286472407 XPTXJSSUVHCMPL-UHFFFAOYSA-N 430.472 2.269 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286564231 MMJPGASFIUGYGS-GHTZIAJQSA-N 445.589 2.259 30 10 IEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1286593988 YCXIPRXMLRWGOT-FQEVSTJZSA-N 440.548 2.015 30 10 IEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1286686606 BJGQSEITRIDHAT-IRXDYDNUSA-N 443.639 2.299 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1286748983 HOUYDSPUNHWISK-HOCLYGCPSA-N 430.534 2.024 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1286751039 LJAMKIXJOQQMQJ-FGZHOGPDSA-N 443.640 2.028 30 10 IEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286777841 NGTLUMOHNPEXTN-CABCVRRESA-N 425.555 2.159 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cscc2C)C1 1286800096 FVOVORNBYIQPBN-GOEBONIOSA-N 425.580 2.088 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3[C@@H](C2)C3(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1286825924 ZRRXOZQNSPOQPS-LLGFUMIMSA-N 438.594 2.012 30 10 IEEE CC1(C#N)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cnnn2)CC1 1288988317 YTBKKFSHGRLAPW-IAGOWNOFSA-N 427.557 2.404 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 1292889818 MHICXZZPOUBICK-UHFFFAOYSA-N 434.378 2.302 30 10 IEEE CCc1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293112419 DWULZQPHYMFFRM-DQRAZIAOSA-N 441.580 2.068 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1 1300118905 KQCVBHHOTNRMHG-UGKGYDQZSA-N 429.496 2.319 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1300300356 YYPGPCDFHVNSSK-HNNXBMFYSA-N 445.531 2.363 30 10 IEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1300437976 BHJUYADNHKUVRU-GOSISDBHSA-N 432.528 2.366 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1300511777 LFSAMIJJEBGNAP-QZTJIDSGSA-N 444.532 2.455 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCO[C@@H](C)C2)n1 1300681638 WEZWSCVXDUBYOV-SLFFLAALSA-N 442.564 2.080 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2([S@](C)=O)CCC2)CC1 1300719130 PGRBRHBQYCHTFX-HKBQPEDESA-N 439.585 2.212 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)c2nccs2)CC1 1300725489 AMAAVPHRLIOYLB-QGZVFWFLSA-N 449.584 2.490 30 10 IEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1300918795 JALSPJRAEUGVSP-KRWDZBQOSA-N 428.562 2.354 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1301046859 FHFSJAIXCXJXJJ-NRFANRHFSA-N 442.539 2.350 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301492163 YZYMTYMPJGQRDQ-UHFFFAOYSA-N 448.527 2.420 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](CCOC)C1 1301497199 RMRXDGWDCPTAGA-SFHVURJKSA-N 435.532 2.296 30 10 IEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301595552 WGKGYPVFQZOCJO-DLBZAZTESA-N 434.610 2.363 30 10 IEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301618366 QCPFJEYIRYLUSY-UHFFFAOYSA-N 427.640 2.402 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C)n(C)c1=O 1301808328 CCXSTFVYRYCTNI-UHFFFAOYSA-N 438.507 2.430 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)c1 1304291170 LOIMIRGKBLGCET-SFHVURJKSA-N 431.562 2.318 30 10 IEEE Cn1ncc(I)c1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 1307540125 ASTYTOATDPKMBV-UHFFFAOYSA-N 438.273 2.084 30 10 IEEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1313642694 JIBBUVUORQHHQC-OAHLLOKOSA-N 429.525 2.250 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ncn(C)n2)cc1Br 1315381856 CGTAGHGNUGDXDZ-GFCCVEGCSA-N 445.325 2.489 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1316170711 BAMAXLVEWHUDGF-UFVMTTLYSA-N 444.536 2.075 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316527312 KATHJBMZHNESBG-GAJRUTHPSA-N 439.426 2.053 30 10 IEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1358940242 SGHJVDVELSAYLW-SFHVURJKSA-N 437.342 2.049 30 10 IEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961620 BYYCMXLXODPRPW-RXVVDRJESA-N 441.601 2.303 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccnc1)C(C)C 1359024491 OFPTWXJKNXGCSK-WOJBJXKFSA-N 445.589 2.101 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1359064373 RFMXQKGLCZPLEL-DRSNIGMVSA-N 443.573 2.447 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1359082349 GFRULRCAHRLXFK-HNNXBMFYSA-N 447.337 2.134 30 10 IEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1359133045 KQBZHIPHYYVYQB-LPHOPBHVSA-N 427.505 2.085 30 10 IEEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1359236018 WJUTZJSSQHBSOO-UHFFFAOYSA-N 429.521 2.257 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCc1nccs1 1359300362 AFHTVZCPPKNPGF-KRWDZBQOSA-N 440.529 2.228 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCN2CCCS2(=O)=O)C1 1359317206 DQBMOTLOOWLFNS-GOSISDBHSA-N 431.562 2.070 30 10 IEEE Cn1c(=O)c2cc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)sc2n(C)c1=O 1458437435 BUVJPFWONVXNHI-LBPRGKRZSA-N 438.387 2.192 30 10 IEEE COC(=O)c1ccc2c(c1)N(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1463363758 CHNCNLBBXVCCQI-SFHVURJKSA-N 432.436 2.139 30 10 IEEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)C1CCOCC1 1464964651 ZJOUEUHQWFNOAX-LJQANCHMSA-N 432.546 2.487 30 10 IEEE CS(=O)(=O)c1ccnc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1467120084 HARGPAOZWDZDID-UHFFFAOYSA-N 436.497 2.259 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c1 1469675325 SNXKLFZMCYPYNT-UNMCSNQZSA-N 447.457 2.450 30 10 IEEE C=CCCSCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1475946658 DSQNOINLAYJYBW-UHFFFAOYSA-N 429.564 2.147 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1479436674 CZSNXCIWZRCGKU-RDJZCZTQSA-N 443.552 2.214 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](CC(C)C)N(C)C 1503103239 HFEUBPXXSSWJLM-FQEVSTJZSA-N 440.596 2.384 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOc2ncccc2F)CCO1 1505321094 GOMGWTXPCSMORH-MRXNPFEDSA-N 439.407 2.195 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1507516669 LZYCYCTWLHIKKG-HZPDHXFCSA-N 427.484 2.189 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507568635 YLIRFPKGDOHVHJ-FQEVSTJZSA-N 446.559 2.465 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C1CCCC1 1507612759 URVFDDZQMDFTIK-UHFFFAOYSA-N 429.594 2.182 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CN(CC(C)C)CCO1 1507672113 WHOMFZBZBMQZPD-NRFANRHFSA-N 440.617 2.454 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@H]1C(=C)C 1507710508 PKDQZSQNXSMATP-UZLBHIALSA-N 427.505 2.073 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507940840 DVWVWAGSILFPHI-QFIPXVFZSA-N 427.553 2.242 30 10 IEEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1507995566 MFNVCIXLDJHTTA-QFIPXVFZSA-N 446.573 2.178 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1507999620 OWPWXNFXIQOZLQ-IBGZPJMESA-N 442.545 2.010 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508093583 CNXXXTARSSIPIU-DVECYGJZSA-N 439.560 2.140 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1509947504 WCFDDLUZJQXXMP-XJKSGUPXSA-N 429.435 2.083 30 10 IEEE Cc1cccc(N(C)c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1510674667 WEGKVDNMUQWJLV-VZCXRCSSSA-N 430.472 2.338 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCS1 1512404929 CZNKOJUKKHRIJV-HNNXBMFYSA-N 426.546 2.041 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1521062492 DXDIPKNVGRXBAZ-PXNSSMCTSA-N 435.500 2.417 30 10 IEEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2ncc3c(c2C#N)COCC3)cc1 1529114924 CEFTZCFIYKLWOF-UHFFFAOYSA-N 430.411 2.223 30 10 IEEE C#CCC1(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CCOCC1 1535310774 SZBQOHQNODOADS-UHFFFAOYSA-N 429.336 2.002 30 10 IEEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1536465939 BMDGEODEKRDRDR-DAYGRLMNSA-N 437.587 2.344 30 10 IEEE C=CCS(=O)(=O)CCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1536546321 DDWNYIYSFAPMHS-QINSGFPZSA-N 442.559 2.134 30 10 IEEE COCCN1C(=O)c2ccc(C(=O)N(CC#N)c3ccc(Cl)cc3)cc2S1(=O)=O 1537552334 KSFRATLUCUJMCE-UHFFFAOYSA-N 433.873 2.301 30 10 IEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1539067439 GNFCWPGLZFVEAV-QGZVFWFLSA-N 449.559 2.297 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc([C@H](C)OC)n1 1539172141 UELSNASBGJWDIX-AWEZNQCLSA-N 449.540 2.474 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1539983245 WPNGMZDWDRDMDI-GDBMZVCRSA-N 437.570 2.005 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540854825 GZYYZCQRKDCWHT-JKSUJKDBSA-N 427.505 2.214 30 10 IEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)cc1 1540876871 DTPNIIONTJIIPB-UHFFFAOYSA-N 433.578 2.450 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C)C1 1540900537 ZCBPBAFCKZGNFK-MRXNPFEDSA-N 427.530 2.319 30 10 IEEE Cc1c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1542119462 DIMIKXGFQHSVNN-SFHVURJKSA-N 427.896 2.330 30 10 IEEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1545113810 FAXZQJLTGURVPS-MRXNPFEDSA-N 429.546 2.399 30 10 IEEE C=CCC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1556584645 DFKAPQQTBHUGKP-IIAWOOMASA-N 430.954 2.195 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)cc1 1556844459 XEHXWGMQMGXAKW-INIZCTEOSA-N 437.562 2.411 30 10 IEEE N#Cc1ccc(OC2CCC(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)nc1 1566503633 CUQIXAREICTTRV-UHFFFAOYSA-N 449.442 2.261 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1cc(S(C)(=O)=O)ccc1F 1585913907 OOBWBACSBPZKPY-INIZCTEOSA-N 427.498 2.433 30 10 IEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1587773644 QIWOKBMJYNLDCA-OAQYLSRUSA-N 449.603 2.200 30 10 IEEE C#CCCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587894547 WFGHULFXQYJBBI-FDDCHVKYSA-N 429.565 2.227 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1587974807 BDAXPFVTCXANHC-OAHLLOKOSA-N 442.520 2.475 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588030047 OQARSHIYVRGZOH-KRWDZBQOSA-N 434.537 2.420 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589503404 CLCDKSPSTCIPRJ-NJYVYQBISA-N 439.560 2.440 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1593884078 BHYZGNPHZWQRQY-HNNXBMFYSA-N 437.953 2.316 30 10 IEEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1cc[nH]n1 1595548294 JFERODZOCQHMRV-UHFFFAOYSA-N 428.489 2.027 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1597691060 IMUXFPOBAYSMMS-IEBWSBKVSA-N 435.565 2.027 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCOC[C@@H]2CCCO2)n1 1612490015 UNWBNEBLTNEEQS-FQEVSTJZSA-N 427.553 2.465 30 10 IEEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCCS(=O)(=O)c2ccc(F)cc2)N(C)[C@@H]1C 1613902924 ZHPKDOHLHNPQCH-GVYBXNOTSA-N 430.523 2.261 30 10 IEEE CCN(CC1CC1)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1615534601 SODJJBJNJJEJRY-VXPUYCOJSA-N 441.561 2.397 30 10 IEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccon1)S(C)(=O)=O 1615619240 CXRBUGPMRNQMIW-UHFFFAOYSA-N 443.533 2.113 30 10 IEEE C[C@H](CC(=O)NCc1ccnc(OCC2CC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1615655080 VKEWAUYLEGRVIT-CQSZACIVSA-N 428.514 2.004 30 10 IEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1615956197 DPDJSLXPQVHHLA-IEBWSBKVSA-N 437.548 2.483 30 10 IEEE C=CCN(C(=O)c1cccc(CS(N)(=O)=O)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1616305968 RWXCFLDLAZJXIQ-FQEVSTJZSA-N 430.526 2.278 30 10 IEEE CS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC#N)CC1 1620166668 DXSCGGWJWOTZEL-UHFFFAOYSA-N 426.546 2.456 30 10 IEEE O=C([C@H]1COCCN1CC(F)(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 1623922293 JANGBDLBYNOZON-SECBINFHSA-N 447.326 2.294 30 10 IEEE Cn1cc(CNC(=O)CSc2ccc(S(N)(=O)=O)cc2)c(-c2ccc(C#N)cc2)n1 1624986123 HBBNYVRWZOQNMZ-UHFFFAOYSA-N 441.538 2.015 30 10 IEEE C#CC[C@@H](NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1)C(=O)OC 1626187799 IZHLIWBAIOEWKA-RVKKMQEKSA-N 442.541 2.017 30 10 IEEE COCCN(CCN(C)C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1627535591 OWGXSGYTABHVBX-HXUWFJFHSA-N 430.549 2.429 30 10 IEEE CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628306647 SXRIYPCKDDRVSQ-HZPDHXFCSA-N 440.363 2.229 30 10 IEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(C(F)(F)F)n[nH]1 1632772624 MWNKJDUSRAGTFO-UHFFFAOYSA-N 443.451 2.344 30 10 IEEE CCOC(=O)N1CCC([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1633621913 PLRCAZSDUJLXCG-CYBMUJFWSA-N 425.482 2.110 30 10 IEEE Cc1onc(CC(=O)N2CCN([C@](C)(CO)c3ccc(Br)cc3)CC2)c1C#N 1636780959 NNUSYSBLPOKUHX-HXUWFJFHSA-N 447.333 2.212 30 10 IEEE COCCOCCN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1643651756 YJYNOVXTCWMDRQ-QGZVFWFLSA-N 434.606 2.496 30 10 IEEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1648466652 MDQFCVKNDDSYGC-QFIPXVFZSA-N 426.561 2.332 30 10 IEEE Cc1c(Br)c(C)n(NC(=O)CN2Cc3ccccc3OC2=O)c(=O)c1C#N 1650979123 OKWWDZSHQGFKMH-UHFFFAOYSA-N 431.246 2.184 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H]3c3nn[nH]c3C(=O)OCC)n[nH]2)c1C 1651689030 UPCSANMHKNUHEN-MRXNPFEDSA-N 438.492 2.348 30 10 IEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)CC1 1652173177 NIQHWMPTRMIFHS-UHFFFAOYSA-N 443.525 2.029 30 10 IEEE CCc1ccc(C#CC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1652675869 SUGNCQCOOYGCCH-LJQANCHMSA-N 426.513 2.469 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)n(-c2cccc(F)c2)c1C 1659904810 WBVMEFCFCYYHPF-PZJWPPBQSA-N 439.491 2.023 30 10 IEEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1668990635 PFJZNZRFNAUJIA-OAHLLOKOSA-N 446.479 2.179 30 10 IEEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CCO2)cc1 1675450071 KDOBSZPHQRWORE-CTNGQTDRSA-N 425.510 2.212 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCn4cnc(C(F)(F)F)c4C3)C2=O)cc1 1686083516 BRKHERCAPMVZIO-HNNXBMFYSA-N 432.406 2.494 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1687781056 ZZWFSRIRKNATAD-SQNIBIBYSA-N 426.521 2.325 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1Cl 1690015725 WEBMNKNHANFHDH-INIZCTEOSA-N 441.919 2.215 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(O)(CC)CC 1690036986 IJVBSQODGWGKON-UHFFFAOYSA-N 428.558 2.363 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1690046776 GYDHCCOOWOQQKV-PMACEKPBSA-N 439.585 2.168 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@H](C)CC 1690063713 MXBOKLKBPBXQCT-MRXNPFEDSA-N 431.562 2.113 30 10 IEEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1690510947 KHSASJPEZSBRQA-IBGZPJMESA-N 440.548 2.280 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1690560514 VPXLGFMXAGPPQA-LJQANCHMSA-N 444.561 2.085 30 10 IEEE CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1695254760 XUTQKRMCCCKYFW-UHFFFAOYSA-N 447.547 2.126 30 10 IEEE COc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H](C)N(C)C)c1 1697522386 XNCIJXZKZZFFKM-SFHVURJKSA-N 446.559 2.497 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C(C)C 1705491313 BCFJZWDYYCLFBT-SFHVURJKSA-N 438.580 2.072 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCCCC2)CC1 1705644130 YRRGVVOOCVOOBW-UHFFFAOYSA-N 426.565 2.060 30 10 IEEE C=CCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893873 SZPLCVDHKDOLMA-XHSDSOJGSA-N 439.582 2.248 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC[C@H](SC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909301 SOJWIDAWNAMLID-UWJYYQICSA-N 437.610 2.343 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(CC)C1 1705932311 BBXGXWVACHAXDU-NRFANRHFSA-N 429.546 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC(C)(C)[C@H]1C 1705933169 WWVCRHBVTRYIDK-OAHLLOKOSA-N 448.545 2.278 30 10 IEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705950232 UYUZENUXVQXXKP-RBUKOAKNSA-N 448.637 2.182 30 10 IEEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712885843 ZWQDDWPOUYKKTL-LDSGZGKSSA-N 439.520 2.176 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1722276267 HUUJBKDLDXBCCR-HUUCEWRRSA-N 425.468 2.168 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1722437888 LEEXAJCHUDGFDA-HSZRJFAPSA-N 444.587 2.356 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCC2)CC1 1722445856 YZBFYADGRJMJGC-UHFFFAOYSA-N 445.571 2.267 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCCCO3)CC1 1722559837 JTBMUTXGBRWFTO-INIZCTEOSA-N 447.561 2.254 30 10 IEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccsc2)N(C)C)CC1 1722559910 LWIZUOPVGAFGHE-DOTOQJQBSA-N 438.623 2.409 30 10 IEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722686068 QLDNZHXMSQQIEX-MRXNPFEDSA-N 432.525 2.219 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CCC)C1 1722717297 HVVUZORHBFOWSP-DENIHFKCSA-N 438.536 2.253 30 10 IEEE CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1723720035 XMJIUKXHOQQVQK-VQTJNVASSA-N 438.532 2.494 30 10 IEEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCN(C)C(C)(C)C1 1727625433 HZZNCMVBRINXTD-NRFANRHFSA-N 437.592 2.316 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1728468477 CONWFXWZNSSMCP-LJQANCHMSA-N 431.500 2.364 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1740531464 LXXMGJBJAREHOL-PZJWPPBQSA-N 438.576 2.165 30 10 IEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1740585804 DKISJUCTGBQQPE-FQEVSTJZSA-N 434.544 2.249 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740589895 CEDJLUIKVHWVGC-CABCVRRESA-N 434.484 2.141 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCn1cc(CO)nn1 1740633780 SLAHLBFBIVUMNN-KRWDZBQOSA-N 449.584 2.378 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1740664104 FBTLLANUPGRBPF-UHFFFAOYSA-N 440.367 2.059 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1740674708 QQBUZLMVAHTVLZ-UHFFFAOYSA-N 427.896 2.181 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)CC1 1740758792 BYXKWAAREGHQFC-PZJWPPBQSA-N 430.574 2.393 30 10 IEEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740848340 IFYUTVRGPVRWLG-UHFFFAOYSA-N 430.597 2.129 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(F)F)C1 1740954761 GHSUYCAQCZHCJO-HNNXBMFYSA-N 433.459 2.500 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1740958430 AYFPGXYTJKSBSQ-LJQANCHMSA-N 449.515 2.396 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)CC1 1741056332 HNRIOWHGPUWFCJ-UHFFFAOYSA-N 446.559 2.111 30 10 IEEE CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1741315939 BGXLYNZZMDZLNW-RTWAWAEBSA-N 442.539 2.094 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1741803488 QIRGJCFPWFBHED-RDJZCZTQSA-N 445.545 2.012 30 10 IEEE CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCN1CCOC 1745342806 MWJBHRKNXNUNCN-KRWDZBQOSA-N 436.520 2.185 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1745953183 AVLAJYYZGYUZTD-LJQANCHMSA-N 431.562 2.383 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1748731598 HLULSHWIJFXGDK-QFIPXVFZSA-N 440.935 2.134 30 10 IEEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1748736799 REBRSFAHWVRSMK-SFHVURJKSA-N 441.532 2.084 30 10 IEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NC)CC1 1749193776 PYPSYLPEDXELDL-UHFFFAOYSA-N 447.584 2.430 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc3O2)CC1 1749329162 HMLNTMUABRKQKN-RDJZCZTQSA-N 447.561 2.131 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749657593 BQFODPDHQXJMNC-VQIMIIECSA-N 444.967 2.058 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCCC)C1 1749695392 BIHNJERYGDSBFL-CQSZACIVSA-N 437.342 2.343 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1750079187 QJFCHILISAOPHA-VQIMIIECSA-N 435.507 2.343 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1751016320 AGFRGNXJDLVIEV-WMZHIEFXSA-N 446.596 2.169 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1COc2ccccc21 1751209535 ABNXDOBOVJKBDP-NVXWUHKLSA-N 444.561 2.195 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1760099909 NWRACGYAXLRVHH-NTKDMRAZSA-N 439.560 2.273 30 10 IEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760140072 ZUHKZSUMEOBAGB-UHFFFAOYSA-N 434.548 2.471 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1760152860 AYXYRSMMOBPMHB-IBGZPJMESA-N 425.508 2.356 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1760233799 FQUPTAZRBWCXAX-WNRNVDISSA-N 442.564 2.192 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C(C)C 1760241842 LQMFRTPRQUKSMU-XMSQKQJNSA-N 448.564 2.366 30 10 IEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760277411 JWROBZRYESJZBO-OAQYLSRUSA-N 446.598 2.335 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1760352843 ZFGSSLUFABFZAH-OKZBNKHCSA-N 425.599 2.498 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1760544646 DNKDAYLFLCYENM-WBVHZDCISA-N 431.541 2.373 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(CC)C2)C1 1760549740 LQFYCCSWYMIHKF-ZWKOTPCHSA-N 444.605 2.393 30 10 IEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2ccccc2C)C1 1760558090 GBZRUMJFTYTYPP-LJQANCHMSA-N 434.562 2.302 30 10 IEEE CCCNC(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1764549924 HRZWBCQJLNTNPD-LAUBAEHRSA-N 428.468 2.149 30 10 IEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1764998689 WULDIQNDBSKOGC-CYFREDJKSA-N 435.576 2.463 30 10 IEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1(C)C 1766144360 BRNXDWYVDXBPOM-RTBURBONSA-N 440.548 2.457 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1767185551 FLYNWBQGSKTEGY-JOCHJYFZSA-N 444.511 2.470 30 10 IEEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)Nc1ccccc1 1769993744 BLZLDSMPSWYQPZ-IERDGZPVSA-N 430.484 2.473 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NCc2ccco2)C1 1771530388 JSULKRVYNQGWFM-JOCHJYFZSA-N 438.463 2.251 30 10 IEEE CCS(=O)(=O)C1CN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)C1 1850660766 HWJIQJMNUZBMRQ-UHFFFAOYSA-N 430.505 2.107 30 10 IEEE Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)c(C)c1 1853982049 ZFEPWTGSJWMIOD-UHFFFAOYSA-N 425.510 2.086 30 10 IEEE Cn1ncnc1CN1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C12CCCC2 1856895425 MMBWVUPJFAFHMB-UHFFFAOYSA-N 426.908 2.332 30 10 IEEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cnc(C)cn1 1856995808 UUNQUAARHYVXOW-INIZCTEOSA-N 426.498 2.244 30 10 IEEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccccc2Cl)C1)[C@H]1CCN(C)C1=O 1857096264 JPUHWLWSEBCOFO-WMZOPIPTSA-N 433.936 2.203 30 10 IEEE N#CCC1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C2=O)CC1 1857387071 BMONKOKUOFSIMM-APWZRJJASA-N 428.920 2.446 30 10 IEEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870492234 NEAVEZKSXPTNGZ-UHFFFAOYSA-N 445.560 2.201 30 10 IEEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)NCC#CCN1CCc2ccccc2C1 1889476148 JROMALZTRPVUOP-FQEVSTJZSA-N 448.592 2.337 30 10 IEEE C#CCO[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)C1 1892051216 KYRJZUBNLKCDQP-TZIWHRDSSA-N 446.956 2.480 30 10 IEEE CC(C)(C#N)C(=O)Nc1c(I)ncnc1I 1983727461 UNCZRXVRFYGYKO-UHFFFAOYSA-N 441.998 2.174 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1985058787 FWXBKAQTMJLKMP-SNVBAGLBSA-N 432.262 2.301 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993453475 VJYWIVPHEBNYLH-BTYIYWSLSA-N 427.542 2.334 30 10 IEEE C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 2010126956 MNGUBOPKGCFYSR-LSDHHAIUSA-N 440.541 2.060 30 10 IEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2010225185 NDJCHCBEROYRLE-ZHRRBRCNSA-N 439.553 2.171 30 10 IEEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2060726475 SXIZKGKMHJRUMK-TZIWHRDSSA-N 441.576 2.164 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141677235 DRFAZMZJXDLLBO-JKSUJKDBSA-N 447.341 2.249 30 10 IEEE COCCN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@@H]1CCOC1 2172785245 JKMZAYKSVCJLGX-CQSZACIVSA-N 427.148 2.385 30 10 IEEE CC1(C)OB(c2cncnc2OCCOCCOCCOCc2ccccc2)OC1(C)C 2227778532 TUZJOCFLTRJYEM-UHFFFAOYSA-N 444.337 2.405 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247835024 FGJFUTJALNUWFF-CYBMUJFWSA-N 437.371 2.429 30 10 IEEE CC1(C)OB(c2ccc(CS(=O)(=O)N(CCO)Cc3ccccc3)cc2)OC1(C)C 2247953977 WRSDKEGKZYWJNF-UHFFFAOYSA-N 431.363 2.310 30 10 IEEE C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405891 ULFIFOYNGGOKRA-MPBGBICISA-N 437.371 2.362 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255626194 CEQCJJRAFKYBHF-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2255628310 GKUIBGUJHOCHKN-DZGCQCFKSA-N 434.346 2.227 30 10 IEEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2255628717 LVPNTMCPHQBWTI-HIFRSBDPSA-N 434.346 2.084 30 10 IEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255633306 ZAHLUUUSXUAXKQ-KBPBESRZSA-N 434.346 2.084 30 10 IEEE Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)sc1B1OC(C)(C)C(C)(C)O1 2255676078 LEWDFRYUOZHFMZ-UHFFFAOYSA-N 442.390 2.332 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830493 HDEAYOBKDOKSMV-ZFWWWQNUSA-N 434.346 2.132 30 10 IEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255855188 LKWORQXZXMQEIT-HNNXBMFYSA-N 435.330 2.327 30 10 IEEE CC1(C)OB(c2ccsc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255875263 VJUYMAXBRCJSIW-SFHVURJKSA-N 441.406 2.251 30 10 IEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267120496 LHYBSTMLZAZRHG-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267140532 CVCSCXZDVGRFSJ-CQSZACIVSA-N 448.373 2.474 30 10 IEEE CCN(CCN(CC)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267166426 RTZFNMUKUKKIHM-UHFFFAOYSA-N 448.373 2.495 30 10 IEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267176523 AVFTZDDGAMVLTL-CABCVRRESA-N 448.373 2.095 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C1(NC(=O)OC(C)(C)C)COC1 2268711561 MVLRTEVOKVMKKL-UHFFFAOYSA-N 448.325 2.227 30 10 IEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271395979 VEOOZPKITPGUAQ-ZBFHGGJFSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2282026493 ZJQSZNVRTFYMDY-SESVDKBCSA-N 448.376 2.416 30 10 IEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1 2326655760 HAHPFZXCGSFNIW-UHFFFAOYSA-N 443.485 2.127 30 10 IEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(O)c1 2329013097 ZWFHMMZRYBSOKS-INIZCTEOSA-N 444.561 2.209 30 10 IEEE COc1ccc(OC)c(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)c1 2329322762 JXWULRNZAQATMF-UHFFFAOYSA-N 441.513 2.472 30 10 IEEE CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)CN(C(=O)OC(C)(C)C)C1 2337324266 SEJLZSGMEBWGSW-UHFFFAOYSA-N 448.373 2.157 30 10 IEEE CC(C)(C)OC(=O)N1C[C@](NCCC#CBr)(C(=O)O)C[C@]12CCCOC2 2349198472 JBVZFMKKLUZGAK-ROUUACIJSA-N 431.327 2.335 30 10 IEEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1nc(Br)nn1CCOC 2353674668 GRDBBSRCOFEINN-QWHCGFSZSA-N 430.347 2.254 30 10 IEEE Cn1cnc(CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)c1Br 2371992725 IJXWAQOYPMOFCB-UHFFFAOYSA-N 425.111 2.092 30 10 IEEE N=C1S[C@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1/N=C/c1ccc2c(c1)OCO2 20438118 JTJUNBIZALRNES-LZZSCIRZSA-N 440.437 2.355 30 10 IEEE C#CCNC(=O)CN1CCCN(c2nc(CN3CCCC3)nc3sc(C)c(C)c23)CC1 301281259 MRYZEUIDYPYUIF-UHFFFAOYSA-N 440.617 2.165 30 10 IEEE C=CCSc1ccccc1NC(=O)CNC1(CC(=O)OC)CCS(=O)(=O)CC1 439258953 LXOJSISMEFNNPI-UHFFFAOYSA-N 426.560 2.003 30 10 IEEE CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H](C)C1 440581259 FADGHRIZJIUTQC-QGZVFWFLSA-N 434.496 2.349 30 10 IEEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cn1 466970837 ITSWHLVHEKQEOR-AWEZNQCLSA-N 443.460 2.494 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 477695968 ZBEBRLMKGHJRHJ-CYBMUJFWSA-N 427.461 2.403 30 10 IEEE COc1ccc([C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)N2CCOCC2)cc1 502551811 ACDMMWPUKLGUFM-XXBNENTESA-N 431.533 2.446 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@]34[C@H]5C(=O)[C@H]6[C@H]7C[C@@H]([C@@H]63)[C@H]4[C@H]75)c(C#N)c2N)cc1 503018264 NIDCUVPZCDNBCR-NZURPHHHSA-N 427.508 2.010 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1C[C@@H]1CCCO1 504056447 JJENNNVARMASHE-INIZCTEOSA-N 445.972 2.080 30 10 IEEE CC(C)(CC(=O)N1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(F)c(C#N)c1 508069467 RHDUAZQWLDVNJD-UHFFFAOYSA-N 444.532 2.493 30 10 IEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508886707 DFOGWSJCSLDVOI-HXUWFJFHSA-N 447.605 2.240 30 10 IEEE CN1C(=O)C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1ccc(Cl)cc1 509129481 WJRXVYCJHZYQCI-GHTZIAJQSA-N 438.919 2.410 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCO2)CC1 518571914 OXFPOQFOWRRNHV-LJQANCHMSA-N 444.967 2.202 30 10 IEEE COc1ccccc1CC1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 532943061 FHALORZWRWSXST-UHFFFAOYSA-N 437.544 2.467 30 10 IEEE N#Cc1ccccc1-c1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 539117508 VEIIFPUKZBQHTB-UHFFFAOYSA-N 432.461 2.234 30 10 IEEE C[C@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 540200055 ANUGCSBQFJDBBJ-ADDUHUFJSA-N 429.476 2.392 30 10 IEEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 549671986 BDTXMDUFQDFEBP-MJGOQNOKSA-N 429.546 2.257 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 551518036 XNYHSCNAPOLIBC-UHFFFAOYSA-N 426.904 2.181 30 10 IEEE Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 553062375 PTIMAPLSSOXUKZ-UHFFFAOYSA-N 446.536 2.350 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 558177017 WKUKBCACUDZTPY-NRFANRHFSA-N 437.569 2.477 30 10 IEEE CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(C#N)n2)CC1 559033853 FDGMABVPPFMWJA-UHFFFAOYSA-N 449.563 2.160 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 570010707 DJZCUYJIQYWEFP-SFHVURJKSA-N 435.525 2.105 30 10 IEEE N#Cc1ccnc(OC2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)C2)c1 585247990 JFLGXRWZGIPOBY-CQSZACIVSA-N 441.285 2.358 30 10 IEEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2cccnc2)cn1 730144475 NBYUQOKDOKNPOJ-CRAIPNDOSA-N 443.577 2.059 30 10 IEEE CCN(Cc1ccccc1)C(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733832949 RUKFHTUGBRVTQY-HXUWFJFHSA-N 448.479 2.355 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCCc2c(C)noc2C)C1=O 754017382 LTOYKUVZJUHGPF-INIZCTEOSA-N 431.518 2.395 30 10 IEEE CN1C(=O)C[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 754842456 RNVSBRWEMDVQIL-APWZRJJASA-N 430.871 2.429 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2=O)cc1 765038470 UTONNLXPAOCCMK-INIZCTEOSA-N 440.525 2.058 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)c3cccc(F)c3)sc(=Cc3ccoc3)c2=O)cn1 772300624 HLCITYWRTWBRBH-UHFFFAOYSA-N 434.452 2.233 30 10 IEEE C#CCN(C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 774235378 RVHUOEBMYXQWDO-DZGCQCFKSA-N 429.336 2.048 30 10 IEEE COC1(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2C#N)CCC1 779755134 SLSCZNZPXRSTEU-SFHVURJKSA-N 443.573 2.127 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)c(C)n1 781650345 WWVWYEOFHZVJRH-UHFFFAOYSA-N 425.554 2.459 30 10 IEEE C=CC[C@]1(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CCCN1C(=O)OC(C)(C)C 790719438 VVHMYPBZWPPSOH-ARBPTSGCSA-N 434.537 2.169 30 10 IEEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)c1ccc(C(F)(F)F)cc1 791188178 QWPCCSQVTOCYJF-UHFFFAOYSA-N 426.372 2.281 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)ccc1F 791485722 FGSZYZPDSLDLNI-AWEZNQCLSA-N 442.459 2.149 30 10 IEEE COCCN(Cc1sccc1Br)C(=O)CCN/C(O)=C1\N=CC=CC1=O 791909983 WQKWSKMOQMGCBR-WUKNDPDISA-N 442.335 2.402 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CC(N3CCCCC3)C2)C1=O 794451570 ZIWNYXVIUPWXKJ-LADRWXRNSA-N 444.557 2.500 30 10 IEEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)c1 794594590 LLEJBHKFQVDOAN-AWEZNQCLSA-N 447.354 2.017 30 10 IEEE COC(=O)c1cc(S(=O)(=O)Oc2cccnc2C#N)ccc1I 795284758 OAFHAYVNVMLDEV-UHFFFAOYSA-N 444.206 2.112 30 10 IEEE CCCN1C(=O)CC[C@@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)[C@@H]1c1cncn1C 796085539 UICHGBINYLSZOB-MBOZVWFJSA-N 443.548 2.384 30 10 IEEE C[C@H](C(=O)OCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)n1cnc(C#N)n1 798743576 ITCPYOUOKHVJMF-SZNDQCEHSA-N 443.891 2.404 30 10 IEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccc(C#N)c(OC)c2)C1=O 809944522 YDWXGDWOMNLZPC-HMWBEYIWSA-N 437.525 2.141 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812393569 PKYZGCBDKJJXQQ-IAGOWNOFSA-N 439.541 2.090 30 10 IEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1ccc(Br)cc1 915818450 ZTPFBQRPHDVKCB-UHFFFAOYSA-N 438.303 2.476 30 10 IEEE COc1cc2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)[nH]c2c(OC)c1OC 916775854 IOTNWSABRHJOIG-UHFFFAOYSA-N 429.454 2.325 30 10 IEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3O)n2)s1 1084336628 UKAAYWWSUQZYAI-UHFFFAOYSA-N 434.507 2.110 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1129009159 OCDILWAOMXULIY-CVEARBPZSA-N 429.336 2.307 30 10 IEEE CN(C)C(=O)O[C@@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1129202733 HNKQPMNBFJNFNA-OAHLLOKOSA-N 427.461 2.322 30 10 IEEE COc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)N(C)C 1134278880 MQTCYTDVFHUFSM-IBGZPJMESA-N 429.498 2.031 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)N4CCCCC4)CC3)CC2=O)cc1Cl 1141326146 HBTRVQOWZOEHMQ-QGZVFWFLSA-N 443.935 2.315 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)C1 1142363917 WQWJFFZUTHFUII-LJQANCHMSA-N 447.377 2.470 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1142860547 GOSJBSQCLRMFED-KGLIPLIRSA-N 444.937 2.373 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286341604 HBGNSKDBJOXHCK-UHOSZYNNSA-N 426.546 2.045 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1286388064 XMOGOASFZVEJBG-GOSISDBHSA-N 443.479 2.293 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1cc(C(F)(F)F)ccn1 1286398692 MNNWZAYDKKVZLR-UHFFFAOYSA-N 430.434 2.243 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[S@@](=O)CC 1286413383 JDKNLFNKHRAJAR-DRKIFQHWSA-N 447.605 2.234 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286509062 MKQYRXSIYJOTIT-KRWDZBQOSA-N 432.638 2.022 30 10 IEEE C#CCSCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1286512194 JQBSBWODGLFNGY-QAPCUYQASA-N 448.511 2.453 30 10 IEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286712744 JHZYTOXEJKVBPT-TZIWHRDSSA-N 426.565 2.014 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1286756469 XVMMQGYFMSFPML-UHFFFAOYSA-N 445.325 2.466 30 10 IEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1286774807 JTHGRMQQRGGUKS-HKUYNNGSSA-N 432.546 2.170 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1286786444 SAYIWVQGAXWJOP-IBGZPJMESA-N 440.548 2.459 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1286814168 MBZLFJGYSXSFCO-IEBWSBKVSA-N 432.546 2.363 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1Cc1cccc(CS(C)(=O)=O)c1 1286964266 FTYUBUISQNZBRZ-INIZCTEOSA-N 426.546 2.472 30 10 IEEE CC(C)C(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1287130527 SIEBCUBDWWDZEF-GOSISDBHSA-N 430.940 2.413 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN(C)c1ccccc1 1288171626 YUZKOPFWPRBJDF-LJQANCHMSA-N 425.537 2.062 30 10 IEEE CCC(=O)N[C@H]1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1291336280 FRLVFSQUFCPVRZ-HOTGVXAUSA-N 430.509 2.010 30 10 IEEE C=CC1(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CCCCC1 1297662603 JPVRMEKQTPEDDR-LJQANCHMSA-N 427.593 2.476 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2Cc2ccc(C)n(C)c2=O)c1 1300332239 AJGFMCDERJFKCS-UHFFFAOYSA-N 430.512 2.267 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1300482488 GFWHGNJRPFKNKE-XFHJGTJQSA-N 429.502 2.446 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1([S@](C)=O)CC1 1300664702 SMJNHGZXBUBUHP-HKBQPEDESA-N 438.557 2.128 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)CC)CC1 1300682860 KGMJJOYIHDFXNN-NOVUIFNWSA-N 433.553 2.081 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccncc2Cl)CC1 1300726305 KEUMEEBKYUNQKG-UHFFFAOYSA-N 449.946 2.326 30 10 IEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1300763175 NZJGHXWVOHKKBS-SFHVURJKSA-N 449.602 2.054 30 10 IEEE COC[C@@H](F)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301084840 YHHAVFYECVPTNP-FUHWJXTLSA-N 444.511 2.027 30 10 IEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1301141403 MODLKHBOWPUTDD-GOSISDBHSA-N 435.536 2.238 30 10 IEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301187784 YNLQMWVCZMKKPB-GOSISDBHSA-N 443.552 2.195 30 10 IEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301258069 KHUQTQWBVSALCF-OALUTQOASA-N 427.553 2.270 30 10 IEEE COCCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1301528199 FGGJUHPUXDFKAQ-SFHVURJKSA-N 446.939 2.407 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@@H]1C 1301606968 ZVCJPUABXXOOEQ-HNNXBMFYSA-N 436.607 2.383 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301916892 PBWPSZAADJHTNH-QQMNAOGKSA-N 438.532 2.116 30 10 IEEE O=C1C=COC2(CCN(C(=O)CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)CC2)C1 1304200612 MPHIBKGOSKJWHA-UHFFFAOYSA-N 447.557 2.283 30 10 IEEE CN(c1cccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)c1)S(C)(=O)=O 1304871746 VAYNMDHPIXIJHS-UHFFFAOYSA-N 428.514 2.379 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC(=O)N1C 1305206001 MIPSDNNIUGBKEN-CQSZACIVSA-N 434.447 2.025 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1309607300 XHFPNTHHMHRXEE-BOSXTWCSSA-N 442.603 2.223 30 10 IEEE COc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1315577352 JUDXLQLRPZRHKD-UHFFFAOYSA-N 447.499 2.008 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1316102716 ZPUXZRBFBFCOJW-WOIUINJBSA-N 433.553 2.267 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC(F)(F)F)CCN1C1CC1 1316541392 XYZFPGQJZGNXBN-KRWDZBQOSA-N 435.454 2.367 30 10 IEEE C#CCCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936325 KVBGMNQLHTYBDZ-KSZLIROESA-N 442.564 2.273 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1358999185 IMQQLGGCRLVKBF-UHFFFAOYSA-N 430.553 2.373 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359037581 OZJPMNQXODOYNC-DEOSSOPVSA-N 434.544 2.137 30 10 IEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359216221 RMGCIHUACATEPA-KKSFZXQISA-N 434.537 2.383 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCOCC2(CC2)C1 1359303983 HJVKRWDMSYRALF-UHFFFAOYSA-N 425.533 2.393 30 10 IEEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)c(C)o1 1360997317 FVIHTECSDGDLEC-JPYJTQIMSA-N 434.500 2.246 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOc4c(F)ccc(F)c43)C2=O)cc1 1437390998 JFRVXFJJEZQPAN-MRXNPFEDSA-N 426.379 2.467 30 10 IEEE N#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCCC1 1438859336 JKRGFNLUDHTUGN-GOSISDBHSA-N 433.530 2.057 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3C(=O)Cc4ccccc43)C2)C1 1442760687 UYRPJZISJLTMQN-RKDDFOCISA-N 438.528 2.479 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCCS(=O)(=O)CC1 1443643712 HFCCUAPZRZANED-SFHVURJKSA-N 433.530 2.040 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4cc(F)ncn4)CC3)C2)C1 1449984247 OHBSAWUQNBIWHX-BXFSZVDSSA-N 444.511 2.051 30 10 IEEE CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1452832481 GWAWNAPVXNDKKQ-LJQANCHMSA-N 443.525 2.390 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C3(CCN(C)CC3)C2)cc1 1454258695 MBQMUIPHVMEEFJ-UHFFFAOYSA-N 437.565 2.218 30 10 IEEE C#CCn1ccc(CN(CCOC)CC(=O)NCc2ccc(F)cc2C(F)(F)F)n1 1460049764 VGLWIKPPABFPDM-UHFFFAOYSA-N 426.414 2.439 30 10 IEEE CN(CC#CCN1C(=O)c2ccccc2C1=O)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 1460770565 YSDQBBZPQUBRNF-AWEZNQCLSA-N 431.418 2.134 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1462375435 GLGGTFZNXRENDU-WMLDXEAASA-N 425.551 2.473 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1507733670 HQOYIBQZKLPDHR-IBGZPJMESA-N 448.571 2.420 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507959973 UQGYPSPMUNWSOI-APWZRJJASA-N 440.504 2.408 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1508086051 KNSGMGYPPYHVAY-BGYRXZFFSA-N 440.592 2.025 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)C1 1508125343 QSFZISWHXAEPTR-WOJBJXKFSA-N 438.532 2.212 30 10 IEEE CC(C)(C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508624727 DLQKNBUSPBBHDG-UHFFFAOYSA-N 446.515 2.180 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1ccoc1 1509682236 CEERWEMXMSULML-UHFFFAOYSA-N 437.479 2.395 30 10 IEEE CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)O1 1513544523 SYBZOYDEAMBWHM-LYHRCORUSA-N 438.532 2.388 30 10 IEEE N#Cc1c(NC(=O)c2ccc3ncc(I)n3c2)nc2n1CCS2 1530535266 MPTYXXPQPXEQIH-UHFFFAOYSA-N 436.238 2.365 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2OCC[C@H]2C)c1 1539040304 QISYLHLZCVXSJN-OXQOHEQNSA-N 431.500 2.216 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1539115800 CAOMNZPORFJNMK-IBGZPJMESA-N 438.507 2.311 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1539119491 JUOKSOVTVNNSKL-HNNXBMFYSA-N 448.545 2.387 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(Br)n2)CC1 1539447520 TZLSYDQKZIDGQY-KRWDZBQOSA-N 445.365 2.481 30 10 IEEE C=C(C)Cn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1539722191 AYRUDVDUZUKNJF-HSZRJFAPSA-N 441.532 2.174 30 10 IEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1539785829 DPIIHGYRFHKTQM-UHFFFAOYSA-N 446.360 2.441 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)CC1 1539889995 GJPDJVYXMLXNES-KRWDZBQOSA-N 448.568 2.125 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(COC)cc2)C1 1540892771 RFJDOOKKQUDLHB-UXHICEINSA-N 446.573 2.156 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOCC2)C1 1540894285 UMOJDTFNLDMBQP-LJQANCHMSA-N 432.594 2.137 30 10 IEEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)COc2ccc(C#N)c(Br)c2)C1 1544006715 OOMSXHQUEDJBPV-DZGCQCFKSA-N 438.322 2.089 30 10 IEEE CCC(O)(CC)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1546024304 AENVKXRNJMICRX-INIZCTEOSA-N 448.593 2.342 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 1561616270 DAWKXOBNLOXBCV-ZBFHGGJFSA-N 429.336 2.309 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)NCCc1ccccc1 1561629817 BYEAXMIRZSDFEN-CYBMUJFWSA-N 436.331 2.346 30 10 IEEE COC(=O)N1CC(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1564602630 HLQFOHRGNXVMED-YUMQZZPRSA-N 425.276 2.249 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)CC1 1565337953 LBTRWBIIBPLGFI-HXUWFJFHSA-N 443.548 2.173 30 10 IEEE C#CCOc1cc(F)ccc1NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1566160933 MDEDZPQUOXALLD-SFHVURJKSA-N 427.432 2.337 30 10 IEEE CC(C)(C)OC(=O)[C@@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1586804372 HKEBFGWKCZQQGD-LHSJRXKWSA-N 433.892 2.182 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588059494 OWQZVRFXSSZWTP-HLAWJBBLSA-N 442.585 2.229 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCC(=O)NC1CC1 1588241029 JKWKFMCLWORFTH-UHFFFAOYSA-N 429.528 2.038 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@H]2CCCO2)CC1 1588848949 RWNATFCTYJADCJ-JOCHJYFZSA-N 441.551 2.349 30 10 IEEE C=CCCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1594661573 VJJQCIOANPAFOH-JOCHJYFZSA-N 427.553 2.403 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CCOC)C1 1595490692 XGHYWUSMTRWIOG-ZDUSSCGKSA-N 437.342 2.201 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1595496636 BSVJBWCQZLHOIX-QFIPXVFZSA-N 429.521 2.270 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2CCN(CCN(C)C)CC2)C1 1595705900 GGWBZZIPRVCVMG-JOCHJYFZSA-N 439.608 2.395 30 10 IEEE CCOC(=O)CON=C(C(=O)NCC1(c2ccccc2OC)CCCC1)c1cc[nH]n1 1597564683 FHFQVOUSBGFJJY-UHFFFAOYSA-N 428.489 2.330 30 10 IEEE N#Cc1cn(CCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c(=O)nc1O 1616619643 AIWXTWUJEJPRHQ-UHFFFAOYSA-N 438.465 2.277 30 10 IEEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cc(F)c(C#N)c(F)c3)CC2)cc1 1617380683 HYVQZXKMTBKHPU-SREVYHEPSA-N 440.450 2.366 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc(Cl)cn2)CCO1 1620354732 CEGINRLQVUQRAY-AWEZNQCLSA-N 433.850 2.426 30 10 IEEE COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@H](c4ccc(C#N)cc4)C3)CC2)cc1 1620624015 MMQSMPBLTGGQMB-NOZRDPDXSA-N 436.556 2.123 30 10 IEEE C[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(N)=O 1622189336 CYHWAPHGFSNWME-QFYYESIMSA-N 440.294 2.396 30 10 IEEE C=CCC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OCC 1624303334 IHPOWOKMARYWSI-HNNXBMFYSA-N 432.336 2.378 30 10 IEEE C=CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1624893024 BEUBCDDCYYCZDQ-KRWDZBQOSA-N 443.525 2.312 30 10 IEEE CN(C)CC#CCNC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1631853310 STLQRVXPGPSILT-FQEVSTJZSA-N 437.544 2.231 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H](O)COCC1CC1 1635847775 ULIAEWCAFRRDGL-UYAOXDASSA-N 429.517 2.296 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1639503289 DDKMEACYXPPQMM-UHFFFAOYSA-N 437.504 2.162 30 10 IEEE C=CCOC[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC 1639558302 GLPABXMCTVEAAI-FQEVSTJZSA-N 431.510 2.443 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1641387864 WERVVJGGHKUNPK-QFIPXVFZSA-N 445.571 2.083 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c1 1643756294 YQCJCQHPDIRLRE-FCHUYYIVSA-N 426.538 2.196 30 10 IEEE COc1ccc(C#N)cc1CN1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1643889094 LINPWSGRKIRRCT-UHFFFAOYSA-N 443.548 2.357 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1651247981 YSGGABDRMHAHOP-RTWAWAEBSA-N 425.526 2.126 30 10 IEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)cc1 1658516607 UVPUOOFXEBPMAW-GOSISDBHSA-N 432.521 2.438 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1681301837 SDULTMXWTOZOFO-UXHICEINSA-N 426.517 2.329 30 10 IEEE C#C[C@H]1COCCN1C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1684507771 WTSRTWOZXVUVIN-AWEZNQCLSA-N 429.336 2.045 30 10 IEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](COC)C1 1689915024 NPMXKICMBRSOGM-QGZVFWFLSA-N 430.578 2.433 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)Cc1ccccc1 1690058305 SYOKJSMZDWKNFR-UHFFFAOYSA-N 431.500 2.044 30 10 IEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1690592605 CONPXPGPVFYKHW-UHFFFAOYSA-N 428.537 2.295 30 10 IEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690750132 ASNSGOGDWNYZFA-VQIMIIECSA-N 443.573 2.500 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCOC1 1696847500 JOVHRUMREDQHLR-IBGZPJMESA-N 449.353 2.328 30 10 IEEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCCO)CCN1C1CC1 1698493161 JHAOFGUZDXIOJQ-FQEVSTJZSA-N 444.967 2.098 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](COCCOC)C1 1705531304 FKMJIVZEQAOFFK-KRWDZBQOSA-N 436.516 2.497 30 10 IEEE C#CCCCn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539558 VFQBEXWAURDXOI-OAQYLSRUSA-N 430.578 2.435 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1705614603 OJHXSRKQFUAXRZ-SFHVURJKSA-N 443.552 2.333 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cc2F)CC1 1705631843 BCQPRWMBYIECJJ-UHFFFAOYSA-N 437.454 2.007 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](CC)C1 1705700776 YIRNSRUAWWQNAS-TVFCKZIOSA-N 440.635 2.493 30 10 IEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705732570 DJDMEXCLVNLLPQ-QFIPXVFZSA-N 441.557 2.424 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1705874665 SXINWVQRGVLZJF-MRXNPFEDSA-N 443.556 2.143 30 10 IEEE C=CCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893453 IROAJQBMMUEOOI-IYBDPMFKSA-N 433.557 2.086 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CCSC 1705901379 JXGJDHXOBIQPNQ-AWEZNQCLSA-N 441.561 2.474 30 10 IEEE C=CCNC(=O)Cn1c(N(CCNC(C)=O)Cc2ccc(C)s2)nnc1C(C)(C)C 1705908420 PFEIWNVIUJONTN-UHFFFAOYSA-N 432.594 2.390 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cccn1 1706626059 BETKEBYILOCZCT-HXUWFJFHSA-N 448.531 2.153 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1706693356 DSZKHUXBGQQBRL-FQEVSTJZSA-N 441.532 2.274 30 10 IEEE CC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C#N)CC2)COC1 1706962459 OZRYZAVKDIKMJX-QGZVFWFLSA-N 446.552 2.363 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1722361028 KRDOUAZKIYBIGS-MRXNPFEDSA-N 431.468 2.226 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1722362464 UTFCUSMFGAKAHO-MRXNPFEDSA-N 444.586 2.216 30 10 IEEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1722539062 FJHJLQAAAYKORM-KRWDZBQOSA-N 436.560 2.432 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1Nc1cnn(C)c1 1722702297 MYDOECYJYJXVCU-UHFFFAOYSA-N 446.309 2.399 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@H]1CCOC1 1723329207 AICVMJMYVRBHLU-FQEVSTJZSA-N 439.564 2.265 30 10 IEEE Cc1nc(C[C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)C2)no1 1725431482 AXPXJTHTLHZTRC-SFHVURJKSA-N 448.531 2.446 30 10 IEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1728297801 UJQJWENPHZDEMH-RTBURBONSA-N 427.530 2.175 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1729153888 PEDGXFFWYSZLIL-INIZCTEOSA-N 436.438 2.358 30 10 IEEE Cn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1729603003 AFBCDKZKCINJOX-HSZRJFAPSA-N 435.532 2.483 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](F)C2)C[C@H]1O 1729783057 PXOXVRJEKHCQHM-JCHJZTRSSA-N 427.480 2.315 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1740535646 SSEDTWCUACZSTB-FDDCHVKYSA-N 435.532 2.406 30 10 IEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1740626478 BBULEHSHLLSHAV-LJQANCHMSA-N 439.541 2.322 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1740638699 LTJVQRFLDDDDAG-FGZHOGPDSA-N 430.556 2.448 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCNc1ccccn1 1740653633 SBXVWLFOMDXIGG-UHFFFAOYSA-N 431.500 2.366 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC=CCO2)n1 1740689744 ZYPSMRZGVASQFR-SFTDATJTSA-N 440.548 2.348 30 10 IEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740718189 JGUDYUWLYFLRLL-CYBMUJFWSA-N 426.468 2.384 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCCOCC)C1 1740756215 FWKVWXQLOPVNCJ-CMKODMSKSA-N 428.537 2.348 30 10 IEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740817728 RBUJJSGPTDYRNK-IBGZPJMESA-N 431.629 2.379 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC[C@H]2C)CC1 1740820271 XBEBSIIRILTGSM-GOSISDBHSA-N 445.589 2.226 30 10 IEEE CN(c1nnc(CC2CCCC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1747649832 GMDASHSGBWVBJU-UHFFFAOYSA-N 446.577 2.384 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1 1748686782 WTLVMOCFWZKREZ-MOPGFXCFSA-N 428.556 2.480 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC=C 1748836359 WKJNTQROFWPLRP-UHFFFAOYSA-N 430.281 2.222 30 10 IEEE COc1ccc(F)cc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1748846376 LPYIFVKWAWYCBQ-AVRDEDQJSA-N 445.495 2.243 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)C(C)C 1748889845 HLJJTJOYKMKWOA-XMMPIXPASA-N 435.576 2.322 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1749022384 IZJBLBMBMRWVQS-HNNXBMFYSA-N 443.639 2.039 30 10 IEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1)C1CC1 1749519039 DSEWKGIKAAHULQ-HOCLYGCPSA-N 445.536 2.201 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCCCCC2)C1 1749651996 FIUYJMMNMDZEBH-SFHVURJKSA-N 435.569 2.234 30 10 IEEE CC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750041828 NAEVDSTWKXCEIY-HXUWFJFHSA-N 441.967 2.225 30 10 IEEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1751352674 HFSODKNBSXETDY-UHFFFAOYSA-N 428.518 2.246 30 10 IEEE CC[C@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1752530804 GNWKEHJBHKYNJN-XFQAVAEZSA-N 436.557 2.343 30 10 IEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760138358 WXHWFOFOEVBKQO-NHCUHLMSSA-N 442.608 2.109 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760356713 VMDXWBRGXUNZHT-LJQANCHMSA-N 427.553 2.422 30 10 IEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1760368051 SEPPHKHHXHAZDS-LBPRGKRZSA-N 440.733 2.012 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1760524345 VTPADEAAFUXNQD-QGZVFWFLSA-N 428.493 2.407 30 10 IEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1764541697 NZAXRSQBKDLCFJ-VXKWHMMOSA-N 426.496 2.340 30 10 IEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1768728839 RLZVOGBZYXOVHA-VQTJNVASSA-N 427.505 2.146 30 10 IEEE COCCCN(c1nnc(C2CCC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1769710405 OBBLFCLQRDCAHV-INIZCTEOSA-N 433.534 2.089 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CC(=O)NCC(F)F)c1 1770745972 IAUJXEOAANCZIB-GOSISDBHSA-N 444.486 2.451 30 10 IEEE COC[C@@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1770804731 RJKSBOGWLQGXQG-JYJNAYRXSA-N 438.504 2.063 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CC1 1771535510 PTYMEHHDUUPKAG-SFHVURJKSA-N 429.546 2.389 30 10 IEEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(C(C)(C)C)no2)cn1)[C@@H]1CCN(C)C1=O 1850410574 VVHRRJWOCLXAAJ-QGZVFWFLSA-N 449.515 2.474 30 10 IEEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)N=c2ccc(N3CCOCC3)n[nH]2)CC1 1851055073 YXNWICQLAIZFOF-UHFFFAOYSA-N 443.511 2.010 30 10 IEEE Cc1ccc([C@H]2[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 1851835760 ZJDKJJQNJFGAAH-QPPBQGQZSA-N 447.539 2.147 30 10 IEEE CC(C)[C@H](C(=O)N(C)c1nccc(-c2ccccc2)c1C#N)N1CCS(=O)(=O)CC1 1851864353 NJZCLBDHDGRONG-HXUWFJFHSA-N 426.542 2.338 30 10 IEEE C=CCC[C@@H](C)C(=O)N1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1851927593 HAJIKGWFWZZDAH-MRXNPFEDSA-N 429.542 2.182 30 10 IEEE COC(=O)Cn1ccc(=NC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)[nH]1 1853081048 WNDKQSJYXSZQTD-FQEVSTJZSA-N 443.463 2.076 30 10 IEEE COc1ccccc1S(=O)(=O)C[C@@H](COc1ccc(C#N)cc1)OC[C@@H]1COCCO1 1853358951 LPRFQEPLIJNOHA-VQTJNVASSA-N 447.509 2.220 30 10 IEEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)[C@H]1C 1854295650 LHXYPAYKRZRLOW-KGLIPLIRSA-N 445.994 2.190 30 10 IEEE C[C@@H]1C(=O)N(C(=O)CCCc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855734527 RAKLBGGBXCHIJU-QGZVFWFLSA-N 425.510 2.329 30 10 IEEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)c1c[nH]c2ccc(N3CCN(C)CC3)cc2c1=O 1866444560 CDTJODKDYYVOAL-MRXNPFEDSA-N 430.512 2.170 30 10 IEEE CSCC[C@@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1ccc(C#N)cc1 1867043600 KNHLYOCOKZACTL-OAHLLOKOSA-N 443.558 2.175 30 10 IEEE COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1Cl 1868136487 AWGWMKDCPQGOMY-UHFFFAOYSA-N 435.889 2.139 30 10 IEEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871499665 ADVKULFBDSRLBR-UHFFFAOYSA-N 438.454 2.077 30 10 IEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2c(F)cccc2Cl)CC1=O 1874336199 AFUBPOPROAILEH-QZHUVYNCSA-N 438.916 2.255 30 10 IEEE CC1(C)OB(C2CC(NS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1959809324 YKQIJMTVAVFTKF-UHFFFAOYSA-N 448.350 2.217 30 10 IEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1 2009848550 CJYVOSNGRNBMBE-GOSISDBHSA-N 429.517 2.139 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#Cc2ccccc2Br)CCS(=O)(=O)C1 2227484190 RECATXXMKGMNLN-QAPCUYQASA-N 444.347 2.244 30 10 IEEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2235731637 QWDFARPCGQDEEY-FUHIMQAGSA-N 439.350 2.433 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247840397 MFYQOZBFEYDOJU-KSFYIVLOSA-N 425.363 2.447 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633167 XEJISHBICGIIII-OAQYLSRUSA-N 434.346 2.228 30 10 IEEE CC1(C)OB(c2ccnc(NC3(C(N)=O)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2266052400 RKKVPRDCFSLFSE-UHFFFAOYSA-N 436.365 2.313 30 10 IEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CC1 2266984901 OHMRTHJACKGZHO-UHFFFAOYSA-N 449.332 2.322 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2267180362 CWXYXNZXZYDLBI-AZUAARDMSA-N 436.365 2.066 30 10 IEEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267182496 AAAWVNTWUUIZPK-GOSISDBHSA-N 438.381 2.456 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267274125 VVNMCIHIOINEEC-LSDHHAIUSA-N 446.357 2.246 30 10 IEEE Cn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267501786 CUFPEQZBFOUURM-OAHLLOKOSA-N 448.373 2.239 30 10 IEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2273792712 RGDGBXLEBFXHAV-QAPCUYQASA-N 448.369 2.185 30 10 IEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)OC1(C)C 2283054914 AQRJRXIHCPIVMG-VAMGGRTRSA-N 448.376 2.416 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@@](C)(C(=O)O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2306545365 CWVQQWFKMHAPFH-CVDCTZTESA-N 428.533 2.407 30 10 IEEE COc1nc(N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503589 PMEYAZCNWAVGQV-PEBXRYMYSA-N 431.342 2.493 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2319727246 PHGVQMAPANKRSP-CYBMUJFWSA-N 446.300 2.298 30 10 IEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331569135 BFSSCXPPAWHIOT-UHFFFAOYSA-N 449.474 2.108 30 10 IEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC 2352140345 LGMJRQFIHQWSPD-BRWVUGGUSA-N 427.339 2.289 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccccc1 21322123 MIMRAYSMYFADRJ-CIAFOILYSA-N 426.462 2.467 30 10 IEEE COc1ccc([C@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@H]2C#N)c(OC)c1OC 72445502 JJOHYEJPJFELPV-DZGCQCFKSA-N 439.472 2.010 30 10 IEEE N#CCCNN=Cc1cc(I)c(O)c(I)c1 252680088 VRDWEYRBEWIWGM-UHFFFAOYSA-N 441.010 2.439 30 10 IEEE CCCCn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 254739708 WMGCVCYIBBDDSP-UHFFFAOYSA-N 433.310 2.442 30 10 IEEE CCOC(=O)[C@](C)(NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 430278675 QXVWKDPEZRLGJN-JOCHJYFZSA-N 443.525 2.358 30 10 IEEE CCNS(=O)(=O)c1ccc(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 438617834 GJHUIDPSSUVUSO-UHFFFAOYSA-N 442.541 2.300 30 10 IEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 445569610 YCAGGAFAIRBNHA-UHFFFAOYSA-N 441.509 2.258 30 10 IEEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3-c3ccccc3)c(=O)n2C)cc1 447782230 FMIVRBGGRJRGRQ-UHFFFAOYSA-N 426.501 2.327 30 10 IEEE CCc1ccccc1NC(=O)CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466107159 LPQRWGJWHVWEHW-UHFFFAOYSA-N 435.528 2.465 30 10 IEEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] 469750077 BMCCJOHCXHIQMW-NRFANRHFSA-N 441.444 2.012 30 10 IEEE COC(=O)[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(OC)cc1OC 471557237 GLACYWCIDJPNBS-HXUWFJFHSA-N 427.457 2.256 30 10 IEEE C=C(C)CN1CCC(NC(=O)C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1 482762691 SNINBJYAQLCMHF-UHFFFAOYSA-N 443.588 2.325 30 10 IEEE COc1cc([C@H](C#N)NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc(OC)c1OC 505546191 COSGAAHMRAUPFQ-JKSUJKDBSA-N 433.530 2.485 30 10 IEEE CC[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 544857609 WNGCCCXNVBPQBT-XZOQPEGZSA-N 448.571 2.464 30 10 IEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)C1 551952966 NKWZKYXFHXINQZ-CQSZACIVSA-N 438.456 2.158 30 10 IEEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2cc(Cl)ccn12 552894685 GJKZJJRVUWZZPL-UHFFFAOYSA-N 446.876 2.278 30 10 IEEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(Cc3ccccc3)c2=O)n1 565632654 AFJGGFQDPQLGSB-UHFFFAOYSA-N 433.533 2.480 30 10 IEEE CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCN(c2ncccc2C#N)CC1 588316654 TUMZUUPBQRPDOK-UHFFFAOYSA-N 434.544 2.261 30 10 IEEE N#C[C@@H](C(=O)c1cccc(OCC(F)(F)F)n1)c1nc(N)nc(=Nc2ccccc2)[nH]1 607008883 BVJBBGXKBKAOMU-LBPRGKRZSA-N 429.362 2.445 30 10 IEEE COc1cccc(-n2c(C)nnc2SCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 619228391 SARBFKXCWNEZOC-UHFFFAOYSA-N 449.540 2.292 30 10 IEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](N2CCNC2=O)C1 669811799 XVZLOHQEWDJJAC-CQSZACIVSA-N 434.342 2.226 30 10 IEEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 725763355 HUHSSPBLBSGONQ-UHFFFAOYSA-N 446.956 2.481 30 10 IEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)CC1 727557738 QIAHADWPNKODDG-QHCPKHFHSA-N 426.517 2.302 30 10 IEEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccc2)cn1 730144064 HKOMAZPRTSXGEF-GOSISDBHSA-N 441.557 2.290 30 10 IEEE N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1C[C@@H]1CCCO1 730724163 LAYCKGCKMAZLRN-DOTOQJQBSA-N 436.497 2.488 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 731493757 FNBBWZGBOWOYQO-CYBMUJFWSA-N 437.855 2.370 30 10 IEEE Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c12 731862376 FBSBWQIVKXDXHL-ATJXCDBQSA-N 430.468 2.200 30 10 IEEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 731888895 KZBRNCDWJNEOIU-VJKDOEPUSA-N 436.512 2.103 30 10 IEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2cccc(Br)c2C1 735662597 FLQTUMOGEUOWOZ-UHFFFAOYSA-N 448.342 2.463 30 10 IEEE CCc1cnc(CCN2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)s1 742213652 LQSXNBPXUGBKOU-OAHLLOKOSA-N 445.570 2.115 30 10 IEEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CCCC2)C1=O)NC1CC1 746697395 DKIVQGRVKINJSP-KRWDZBQOSA-N 432.521 2.485 30 10 IEEE COC[C@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 749789489 VCEMPCOSLPBOBM-RTBURBONSA-N 432.590 2.419 30 10 IEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@@H]1C(=O)O 757542704 LNOOFWZMBQXJNE-VQTJNVASSA-N 449.463 2.187 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(Br)cc1-n1cncn1 759355314 NEMCKXFGAREIHF-UHFFFAOYSA-N 446.286 2.329 30 10 IEEE COC(=O)c1sccc1S(=O)(=O)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 759394059 BYDNSSPWBOPDIZ-UHFFFAOYSA-N 444.494 2.431 30 10 IEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCCOc2cccc(C#N)c2)[C@@H](C)O)cc1C 763844003 WRBYJQWPWUIXII-UTKZUKDTSA-N 446.525 2.215 30 10 IEEE Cc1cccc(-c2noc(COC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)n2)c1 767627516 NTGCDTFCQODLDH-CQSZACIVSA-N 426.454 2.327 30 10 IEEE CN(C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccccc1C(=O)NCc1ccco1 780206653 SJRZDTKHACELJX-QFIPXVFZSA-N 447.447 2.321 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 780635376 CENBZGMMHSUFPJ-GXZWQRSESA-N 425.526 2.389 30 10 IEEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(C(N)=O)cc1 783014640 JTBRIBAHCUONPN-WQAKAFBOSA-N 428.436 2.194 30 10 IEEE C=CC[C@]1(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790221035 DFZLMXFIGKWYCX-DYESRHJHSA-N 441.594 2.359 30 10 IEEE C#CC[C@@]1(C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)CCCN1C(=O)OC(C)(C)C 809671258 XGBWSYVTHNCHFT-YKSBVNFPSA-N 432.609 2.408 30 10 IEEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)c3ccc(C#N)c(Cl)n3)cc2)CC1 1125805384 LCSWDNKEAKCTLF-UHFFFAOYSA-N 426.908 2.069 30 10 IEEE CCc1nsc(N2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)n1 1126574576 FCWAYSPQKFSHIM-UHFFFAOYSA-N 436.335 2.462 30 10 IEEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCc2ccc(C#N)s2)C1=O 1129865511 UUYJTHRRBBTVRW-GOSISDBHSA-N 447.314 2.466 30 10 IEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(C)c1C#N 1135522893 FQJPXFBUWFIOCH-UHFFFAOYSA-N 428.470 2.230 30 10 IEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCn1cnc2c(N)ncnc21 1142514286 KRTWTVQWVZPNIG-ZDUSSCGKSA-N 437.932 2.293 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)cc1 1152067827 GOHHZGBPWNSXCR-UHFFFAOYSA-N 440.525 2.361 30 10 IEEE COc1cc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)ccc1C#N 1154521646 BAIPQXCKQORMTA-UHFFFAOYSA-N 435.465 2.361 30 10 IEEE COc1ccc2c(c1)OC(C)(C)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1162127697 FDUQJKDONCKUCZ-UHFFFAOYSA-N 429.498 2.045 30 10 IEEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(N2CCNC2=O)cc1 1162868662 YSAKPSVFXKRHIR-CYBMUJFWSA-N 430.461 2.144 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOc3c(cccc3C(=O)OC)C2)c1 1179521395 HREITKPGZNFFKL-UHFFFAOYSA-N 427.478 2.305 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCO1 1196554707 XNJUICMFVXTFPB-PEBXRYMYSA-N 449.573 2.495 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1229781898 QQZHKVHKIGIHPZ-UHFFFAOYSA-N 442.470 2.100 30 10 IEEE CC(C)(CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1Br 1230601065 RBHQHFRRTKSLMZ-UHFFFAOYSA-N 446.305 2.127 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1286303454 COUVPPPGNRPYMY-NUJGCVRESA-N 427.553 2.483 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286325586 ZPDYWBPWZUAKQB-IBGZPJMESA-N 425.489 2.483 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(C)CCCO2)CC1 1286489720 DKPZWYBCTZYEIL-XMMPIXPASA-N 437.544 2.489 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286504902 SKJINSOSAVYODK-CVEARBPZSA-N 448.593 2.041 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC)[C@@H](C)C1 1286548156 RPZHZEKUGUECRH-NSHGMRRFSA-N 439.564 2.437 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286819573 OIOFVFKLYDUNMD-UHFFFAOYSA-N 437.610 2.420 30 10 IEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286830729 PNGULNXWBDCUGO-IRXDYDNUSA-N 430.582 2.198 30 10 IEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1291828470 OZMJEXRUOBISMJ-WMZOPIPTSA-N 426.521 2.259 30 10 IEEE CCOC[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1297411761 JFHDLPMHYYAYBN-VEGAHXMMSA-N 442.564 2.400 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300490949 CUJPRBSOESHDPK-FQEVSTJZSA-N 433.622 2.437 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1ccco1 1300544657 AXUHYQMMBFVISI-UHFFFAOYSA-N 426.480 2.377 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N(C)C 1300569106 BMFSJAWEEAVFGT-UHFFFAOYSA-N 432.297 2.398 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)OC)CC1 1300727343 XPUPYTMLBYJRDG-UHFFFAOYSA-N 427.524 2.399 30 10 IEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@H](C)C1 1300754042 GJHGGWSQGIXWFW-GOSISDBHSA-N 429.590 2.477 30 10 IEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301237264 OHAWREIDGCUDGA-SFHVURJKSA-N 426.521 2.160 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCn2nc(C)nc2C1 1301240645 FGKKZSDQXMAQFB-UHFFFAOYSA-N 439.520 2.475 30 10 IEEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301454148 NWKOQRIHKVULJQ-UHFFFAOYSA-N 430.406 2.214 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1301587297 MSZRPAOOIHPHBN-UHFFFAOYSA-N 432.594 2.101 30 10 IEEE COCCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1301692497 YWUKLVMASGDJGB-HTXNQAPBSA-N 430.896 2.208 30 10 IEEE CC(C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1303422426 CBHVPYYXMZQXLC-UHFFFAOYSA-N 440.552 2.380 30 10 IEEE COC(=O)C1CC2(C1)CN(CC(=O)Nc1ccc(C#N)cc1)C[C@@H]2C(=O)OC(C)(C)C 1308065353 MKGMRUYSJKASIP-BISSLNBESA-N 427.501 2.340 30 10 IEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1309424831 AWNLFUZNWNNGPD-SNVBAGLBSA-N 440.241 2.010 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CCCC1 1313585422 HAXGVDIIVRSJTF-NRFANRHFSA-N 429.546 2.135 30 10 IEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCOC1 1314702336 VHJUKMUDHXPPHM-KRWDZBQOSA-N 442.520 2.479 30 10 IEEE COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1315859908 FITLPJPBEAFIFT-IIBYNOLFSA-N 446.577 2.213 30 10 IEEE COCCN(CCC#N)c1nnc(-c2csc(N3CCOCC3)n2)n1[C@@H]1C[C@H]1CF 1316100696 WGNLYQVPSOKMQM-GOEBONIOSA-N 435.529 2.135 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2sccc2-n2ccnn2)c1 1355668661 ILQYVFLIXHZKDO-LTGZKZEYSA-N 430.515 2.394 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358990455 OSMQJBSPYZEFEP-HXUWFJFHSA-N 441.539 2.471 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358999880 GHQUGCPDZHXBBZ-OAHLLOKOSA-N 427.509 2.298 30 10 IEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359053467 OIYPYYWFVKINCL-UHFFFAOYSA-N 439.585 2.387 30 10 IEEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1359265568 ICGLPRKWANFRMD-WOJBJXKFSA-N 427.597 2.410 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC(=O)N1CCOCC1 1359275623 YZECOZUHTCVFED-UHFFFAOYSA-N 432.528 2.434 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccnc(OC2CCOCC2)c1 1359470851 GYAVNQJDOHBUDL-MRXNPFEDSA-N 434.504 2.332 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1359474828 XTARJRNFFAXHQP-IXDOHACOSA-N 435.573 2.132 30 10 IEEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C#N)c(F)cc3C)c2)CC1 1439033968 RQGWFFGMLXZUIP-UHFFFAOYSA-N 444.488 2.111 30 10 IEEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)C2)nc1 1456065768 SRBHSXJOULHLSL-SFTDATJTSA-N 449.511 2.394 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc([C@@H]4CCC(=O)N4)c3)C2=O)cc1 1460939509 WRJOJCJDVWRWPT-RBUKOAKNSA-N 431.452 2.353 30 10 IEEE N#CCCn1cc(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1470284334 AIOHXDMMRUVBQM-LJQANCHMSA-N 438.488 2.043 30 10 IEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)C1 1471833124 PYTILVMJGFJSFW-FQEVSTJZSA-N 425.554 2.301 30 10 IEEE Cc1nn(C)c(C)c1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1492721521 AZCVWYYBWZKMLV-MRXNPFEDSA-N 448.579 2.447 30 10 IEEE CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1499419636 HYZDZOQJWHSHQC-OGWMBBJDSA-N 435.532 2.415 30 10 IEEE COCCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504825815 AOGCCWSQNHAHSX-INIZCTEOSA-N 436.495 2.497 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635564 SZIMNJYAOUMZEC-FXAWDEMLSA-N 433.622 2.120 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1COCCO1 1507645483 CGYZJGFZUGXBPE-INIZCTEOSA-N 445.317 2.204 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1507660309 QGNZWBDZKGYGPU-JPYJTQIMSA-N 425.508 2.087 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507690240 PDWCUNVZKZVSTO-GBESFXJTSA-N 429.544 2.325 30 10 IEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCCC2)C1 1507760130 TWJSLQIJKCNFCF-ZCNNSNEGSA-N 433.622 2.433 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1507966233 VXAAUBVKRYXMDN-UHFFFAOYSA-N 440.548 2.025 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508075200 WIROALJDTSTAAW-VQIMIIECSA-N 444.967 2.058 30 10 IEEE CCCCOCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1514520066 DCFSPPGRFFOPGM-UHFFFAOYSA-N 449.563 2.479 30 10 IEEE CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1516284251 HPZSJXAVZHQTLZ-QFIPXVFZSA-N 442.495 2.412 30 10 IEEE CO[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1517943662 CHCOXPWWASFKEE-SFTDATJTSA-N 444.561 2.205 30 10 IEEE CN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)[C@H]1c1cccnc1 1520608642 MQYMIWMMEYQDGF-JQHSSLGASA-N 429.274 2.123 30 10 IEEE CC(C)(C)OC(=O)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1529669309 SCMYUHMZNVTOSP-KRWDZBQOSA-N 427.501 2.166 30 10 IEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(C#N)cc3C2)o1 1530025221 TZOVPYHHNAAKLM-KRWDZBQOSA-N 443.481 2.023 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1539017362 ZZCVMPFXIHTZDB-CVEARBPZSA-N 439.541 2.243 30 10 IEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539052361 OBXANCJLQPAICI-UHFFFAOYSA-N 426.546 2.138 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCn1cc(C)cn1 1539241795 JXSUSOZLBCVOKK-UHFFFAOYSA-N 426.322 2.324 30 10 IEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@]1(C)COCCO1 1539278422 BUYPUCNVQDFIRK-JOCHJYFZSA-N 426.542 2.457 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CN(CC(C)C)CCO1 1539539000 NVALNBHGZNHQLX-SXWKCWPCSA-N 433.597 2.351 30 10 IEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539601286 YQVGUMAASNSPBZ-OAHLLOKOSA-N 439.358 2.152 30 10 IEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539729694 RIABYPPUFCETIK-KRWDZBQOSA-N 435.506 2.069 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539831162 DSPAOFHOSASBPA-OAQYLSRUSA-N 438.594 2.442 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1540127379 RKSPHUSDVWOSEE-DNQXCXABSA-N 441.576 2.189 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncn(C)n1 1540146506 CODMOAXEBKASMP-YJBOKZPZSA-N 429.550 2.433 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1540905573 SZNMRLJXLDKKFK-CVEARBPZSA-N 441.598 2.181 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540910775 NORJKQIFKZYIQG-KRWDZBQOSA-N 443.533 2.329 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1541111129 FSNOVYHKYNXNDJ-LJQANCHMSA-N 444.543 2.285 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCSCCCO 1541158917 TUXGQFKPEHYYNL-UHFFFAOYSA-N 429.594 2.284 30 10 IEEE Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)n1 1542622520 VDCHWQQXKBEYDO-QGZVFWFLSA-N 426.502 2.175 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)cc(C)c(Br)c2C)CC1 1542894860 PNZFLELAAVFNSK-UHFFFAOYSA-N 434.378 2.201 30 10 IEEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCOC[C@H]2CCOC2)CCO1 1555995367 PBZSMKJRYLDUDS-NHCUHLMSSA-N 425.533 2.235 30 10 IEEE CC(C)(C)c1ncc2c(n1)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1557620084 LYFHFNHQTSLDBN-UHFFFAOYSA-N 441.557 2.178 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](C)NC(=O)OC(C)(C)C 1564530600 GAPKXJDPFGXPLD-BYNSBNAKSA-N 425.530 2.346 30 10 IEEE CCN(CC)CCN(C(=O)c1cccc(C#N)c1Br)[C@@H]1CCS(=O)(=O)C1 1566481227 VIPGMHQXYLTNQZ-OAHLLOKOSA-N 442.379 2.292 30 10 IEEE C#CCN(CC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)C(=O)OC(C)(C)C 1568872113 SRLQEOLLFGQPBA-JOCHJYFZSA-N 440.588 2.275 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)C2)cc1 1583811329 CJSZPJLCFUFCOO-RBBKRZOGSA-N 441.553 2.459 30 10 IEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1588058820 CYYZVASCDHYASA-VQTJNVASSA-N 448.564 2.450 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1588198331 OWEQFWBWGJKELE-UHFFFAOYSA-N 429.572 2.306 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1588384902 CZOZOJCRSPRPPK-ROUUACIJSA-N 431.562 2.070 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1588550160 JLWTVVAXLMRBCV-MOPGFXCFSA-N 446.548 2.386 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1588659645 MIJYQZYDRAIPRP-OAQYLSRUSA-N 444.539 2.403 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1589047661 DUQYMPZYYIHYEW-MRXNPFEDSA-N 440.577 2.468 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1589207400 LJCUXWUOJQGYMU-WAIKUNEKSA-N 439.516 2.295 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1594168931 RACZJPSDOQNRKQ-SFHVURJKSA-N 442.539 2.302 30 10 IEEE Cn1nc2c(c1C(=O)NCCCc1nn(-c3ccc(F)cc3)c(N)c1C#N)CSCC2 1595533868 XWXZTARTSCQEQP-UHFFFAOYSA-N 439.520 2.351 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCN(C(C)C)CC1 1595595689 XZFGCGMVCSTCDW-UHFFFAOYSA-N 442.564 2.088 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)N2CCOCC2)CCOC1 1610337315 QXIVZVZSSIJIKZ-PGRDOPGGSA-N 434.585 2.168 30 10 IEEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1614274195 NQHIUPAFZXTAEW-ONEGZZNKSA-N 435.532 2.357 30 10 IEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCc3ncn(C)n3)C[C@@H]1C)C2=O 1615245460 RSWDZPHGFYGBEZ-FVINQWEUSA-N 432.864 2.082 30 10 IEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)C2)CC1 1615875102 BVPFFQXVGQRLLZ-JOCHJYFZSA-N 437.592 2.458 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 1624284147 NSHPITCUTNZBPY-CVEARBPZSA-N 427.526 2.247 30 10 IEEE C=CC1(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CN(C(=O)OC(C)(C)C)C1 1624744167 FXTQTSGGBRYEMI-HXUWFJFHSA-N 429.561 2.335 30 10 IEEE C#CCN(CC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1)C(=O)OC(C)(C)C 1626165949 MIGXLZWIUTVVNN-UHFFFAOYSA-N 439.512 2.392 30 10 IEEE N#Cc1cccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1Br 1627726630 BEAWSRAHJDQBQV-UHFFFAOYSA-N 441.329 2.395 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 1627937514 ADIVYECEIQEBIE-HSZRJFAPSA-N 447.532 2.186 30 10 IEEE O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 1628386098 NQYQCFSKSRJQRI-IZHYLOQSSA-N 446.507 2.315 30 10 IEEE N#Cc1cccc(C2(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CCOCC2)c1 1629646724 HMVPOTNGUGYYSK-HBFSDRIKSA-N 428.558 2.406 30 10 IEEE CCO[C@@H]1C[C@@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1SC 1630905562 XKZFGUIQLIGTRI-HPFXQQBRSA-N 439.603 2.165 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1631609945 CMPNPSDDTJLGFR-MJGOQNOKSA-N 430.505 2.140 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)C1 1638393047 VGZXWTZLBFUOOO-NRFANRHFSA-N 446.617 2.034 30 10 IEEE Cc1cc(N2C[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)ccc1F 1639054237 CGWGKBCLWTVDLW-OAHLLOKOSA-N 439.443 2.391 30 10 IEEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCc2c(C#N)cccc21 1643199107 MQPRMQWFDKXWDC-UHFFFAOYSA-N 426.542 2.300 30 10 IEEE C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1C(=O)OC(C)(C)C 1643583419 RNYQGDPQNKCXSK-YJBOKZPZSA-N 435.546 2.318 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)c1 1643665887 HOROBFHLLSRNEG-IPMKNSEASA-N 445.338 2.429 30 10 IEEE C#CCN(CC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21)C(=O)OC(C)(C)C 1644423547 LUZLTCMYQZRJEM-RTWAWAEBSA-N 427.545 2.359 30 10 IEEE Cn1c(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc(=O)n1-c1ccccc1 1646068763 UFBXRDWBHVHORF-UHFFFAOYSA-N 438.509 2.183 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1 1649057528 UMGDPMNDPOSPAH-DENIHFKCSA-N 426.494 2.011 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1658320635 MFYILKPQPAIJGK-FHLIZLRMSA-N 436.534 2.234 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)cc1 1667956661 PQVABZIZBTVVNT-AEFFLSMTSA-N 433.534 2.268 30 10 IEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 1669741144 AMJCKSVWVPPEGX-SFHVURJKSA-N 434.315 2.138 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)C2=O)cc1 1671575981 ASVMIQUPVKIIKU-UXHICEINSA-N 438.509 2.023 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]12COCCN1C(=O)OC2 1672214239 IALVFYBAZFSNKT-KRWDZBQOSA-N 426.267 2.357 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3C[C@H](C(=O)OCc4ccccc4)C3)C2=O)cc1 1672358421 QMEFVPOJLQARBR-FKBYEOEOSA-N 446.507 2.480 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCc4cccnc43)CC2)cc1 1676471152 VSZYOIJPGHEUEC-IBGZPJMESA-N 425.514 2.047 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1679943984 FPPNSVDYEDWYBZ-FXAWDEMLSA-N 443.548 2.206 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1681941509 AWDGQBZNYSBKBC-IBGZPJMESA-N 428.558 2.353 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1689830461 ADCUZIBAEKEEAE-GAAAPTCBSA-N 430.574 2.315 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1689892496 GZAYGZFSOIQMFC-QGZVFWFLSA-N 448.618 2.075 30 10 IEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689987922 FLGHJQOWLSAGLI-SJORKVTESA-N 440.573 2.003 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689988987 ZWEHEIKPTPHYOS-KRWDZBQOSA-N 438.619 2.085 30 10 IEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1689993582 HLXKWBKCWFNKJO-QGZVFWFLSA-N 433.603 2.451 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1689993870 MVDAFHZHKUAIGM-HXUWFJFHSA-N 427.574 2.389 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCN1CCC 1690008878 RGBCYYJXYHDNJF-JOCHJYFZSA-N 443.559 2.258 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690011429 OJBKQCLUNNAOOL-UHFFFAOYSA-N 442.567 2.361 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1690044012 VXUFOMOTZHERAR-UHFFFAOYSA-N 448.552 2.002 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1690104849 KPCVXTYUYCRKFJ-OFNKIYASSA-N 425.533 2.078 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCC2)CC1 1690148680 PDZNUPLUZNYMNN-UHFFFAOYSA-N 443.498 2.028 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690177273 PJISTXFOAFXTPS-QFIPXVFZSA-N 441.557 2.275 30 10 IEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690675116 POCPCSFRMONTAK-SFHVURJKSA-N 429.569 2.226 30 10 IEEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1691389588 JMIHKEKDSAPHPI-QGZVFWFLSA-N 436.582 2.097 30 10 IEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C 1694777943 ANNZOAYBCOQQLT-LJQANCHMSA-N 430.516 2.041 30 10 IEEE CO[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1697686796 RXJOKDPSHJQLGZ-DBROBJPSSA-N 430.553 2.254 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1698060621 DLTHQWRZOHKZDW-FQEVSTJZSA-N 446.596 2.184 30 10 IEEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@H](C)C1 1698060708 IOXONSGIBHBSMQ-HZPDHXFCSA-N 430.509 2.187 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)CCC)cc1 1705571630 DKEZSBRZSOUMTC-UHFFFAOYSA-N 432.528 2.374 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1705642711 FISNTOXNTUJDEU-UHFFFAOYSA-N 448.575 2.316 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)COC2)CC1 1705643332 BKKMJHCSKVOYCP-UHFFFAOYSA-N 427.574 2.371 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705761877 DHKGCNNHTLXMQW-KSZLIROESA-N 436.944 2.165 30 10 IEEE CN(C)C(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1710981105 FCDAWDVDRGYUKZ-UHFFFAOYSA-N 444.543 2.407 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCOC1CCOCC1 1722299842 UIGMASCOUUYUQB-INIZCTEOSA-N 431.562 2.313 30 10 IEEE C#CCN(c1nnc(C)n1Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1722366739 SISCUHMVKDSUPI-INIZCTEOSA-N 442.463 2.203 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1COCCO1 1722387083 RSNWSLFVUKVGOI-GOSISDBHSA-N 445.317 2.108 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCC[C@H]2C)CC1 1722435348 GWUOQFFOUDENGE-LJQANCHMSA-N 438.576 2.202 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(NC(C)=O)cc2)CC1 1722436434 GGWUMOKKJTYZNI-JOCHJYFZSA-N 436.560 2.476 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1722446191 AGOXHIQWUPDWQN-WAIKUNEKSA-N 436.516 2.231 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722463315 XVKSSVNVRNVACF-KRWDZBQOSA-N 430.603 2.337 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722532267 HDKMKPYBFRLNFQ-IAGOWNOFSA-N 448.568 2.268 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1722535815 HAEBIRXQNVBLHW-FQEVSTJZSA-N 427.549 2.279 30 10 IEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722603281 HWBJMXMHAAOUTM-ZWKOTPCHSA-N 425.599 2.294 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 1722624586 CZPHDEDFMSOBQW-UHFFFAOYSA-N 439.520 2.475 30 10 IEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1722706580 WGCLJKKMHPFHEZ-TZIWHRDSSA-N 449.511 2.313 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](OC)C(C)C)C1 1722717357 JJGCRCFDQFMDAA-UXHICEINSA-N 438.536 2.373 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOCC2(C)C)C1 1722720745 GBQZREMHOYSLJP-FQEVSTJZSA-N 426.565 2.156 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1722862768 FDJYDZUXWCLYBG-HZPDHXFCSA-N 430.484 2.012 30 10 IEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1723513336 XNWZRZNFMXEOEA-UHFFFAOYSA-N 434.504 2.331 30 10 IEEE CC(C)N(CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1723540397 RKBJELMZRCHJFW-TZIWHRDSSA-N 429.613 2.467 30 10 IEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCNC(=O)C2CCC2)n[nH]1 1725456994 RVHFODXRSWVBQC-UHFFFAOYSA-N 447.547 2.229 30 10 IEEE CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N)C1CC1 1728501705 GRPXDRIKRFAARU-MRXNPFEDSA-N 430.578 2.429 30 10 IEEE COCC(=O)NC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1730423082 CWRAWSLWEAZFGE-UHFFFAOYSA-N 440.529 2.175 30 10 IEEE COC[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1730460254 AWMMVVUTYUDEFZ-IKGGRYGDSA-N 434.541 2.361 30 10 IEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1731179862 GREBFCNPCXTSEY-TVTNDZMWSA-N 444.486 2.445 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)OC)c1 1740562765 QBRNUQCONVRMGT-INIZCTEOSA-N 447.499 2.017 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740575555 SSNHPBWXMWWHLP-FQEVSTJZSA-N 435.576 2.477 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740587877 ZOZIOHSHTMEQTH-GOSISDBHSA-N 427.516 2.439 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740624105 CLIOBUPNTLTKOA-XMSQKQJNSA-N 448.564 2.042 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740625073 NPBURJPCXSPHKF-QGZVFWFLSA-N 433.603 2.451 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1740684814 CAYLMAMAJCKNSM-HXUWFJFHSA-N 445.608 2.292 30 10 IEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCOC)CC1 1740712309 CTSOPHJQSWECGC-UHFFFAOYSA-N 431.562 2.192 30 10 IEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1740884417 AIBRIPPWMLCEMU-HXUWFJFHSA-N 447.540 2.273 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1740937128 AZVFAUQXWYGIBE-MOPGFXCFSA-N 447.605 2.350 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1740952793 NVPLVJWBVJBCLY-HXUWFJFHSA-N 446.559 2.239 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1740961779 IPWFHTUWBKFJNK-NRFANRHFSA-N 432.528 2.014 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C2CCCC2)CC1 1740995604 RAGQEUHNEUTLRH-LJQANCHMSA-N 437.610 2.185 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1741006714 PHSDCHBAIRTGPX-RYLXDESZSA-N 438.594 2.306 30 10 IEEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1741199816 RNIRZMQSHHZFMP-FUHWJXTLSA-N 428.512 2.079 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@H]2C)c1 1748577954 BDOPSOOREGZNRL-OXQOHEQNSA-N 426.521 2.175 30 10 IEEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1748627250 JHSPJDXGTAKYTF-SFHVURJKSA-N 437.504 2.072 30 10 IEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1748746087 ZYVFVLHNBMFPNG-QGZVFWFLSA-N 426.521 2.483 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCS2)CC1 1748978836 QADNPZNTEVUSKB-SIKLNZKXSA-N 433.622 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1749004461 JKQYGJGOCXCYGI-UHFFFAOYSA-N 442.608 2.012 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1749023677 UITKAYPAUFDFFH-YJBOKZPZSA-N 449.602 2.302 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1749037914 INTYOUDKOUOYTC-IBGZPJMESA-N 437.573 2.479 30 10 IEEE C=C(C)Cn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@]1(OCC)CCOC1 1749207111 BXAAQAWODPHVTB-FQEVSTJZSA-N 447.565 2.213 30 10 IEEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1749297631 ISPPBCJXTGXNGI-UHFFFAOYSA-N 429.431 2.132 30 10 IEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749403143 XLYOZEMKLHHOCC-IAGOWNOFSA-N 435.594 2.032 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1749667333 YHJNOSUJPJXLEA-INIZCTEOSA-N 448.531 2.134 30 10 IEEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C1 1750083542 SSXRYBBEHANIMA-MBSDFSHPSA-N 425.533 2.467 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCCc2ccccc2)C1 1750378980 AAEJHRZKSSPTLE-AVRDEDQJSA-N 426.496 2.321 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1751278357 UTAXJZMVDMXPSY-CZUORRHYSA-N 435.472 2.237 30 10 IEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1760130076 DLUKKRXBMGEJGU-KRWDZBQOSA-N 448.568 2.158 30 10 IEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1nc(C)cc1C 1760175592 NDQYDRNFLVTQTJ-UHFFFAOYSA-N 433.564 2.425 30 10 IEEE C#CCN(c1nnc(C)n1C[C@H](CC)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1760181448 VSIONNPYLKUGQE-VXKWHMMOSA-N 441.601 2.050 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)c2ccco2)CC1 1760264431 NFTFWZLTWSLTCG-HSZRJFAPSA-N 439.491 2.252 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOCC)CC1 1760271185 OTHLOYYLSFWXIJ-UHFFFAOYSA-N 434.544 2.283 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760361079 QVSRTFKYPVPFOP-HUUCEWRRSA-N 431.459 2.227 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760377694 KPESKVKHBWWDEQ-CQSZACIVSA-N 445.014 2.152 30 10 IEEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1760416632 JHPYNQMVBHYTKZ-HXUWFJFHSA-N 449.563 2.097 30 10 IEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(OC)C1 1760564065 NTOJBOGOESAXFP-UHFFFAOYSA-N 436.607 2.383 30 10 IEEE CC[C@H](C)N(C)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1763912176 FHWKKMRRWXBVTC-ZWKOTPCHSA-N 428.537 2.325 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc2c1OCO2 1764127145 CBEVISYZJMGNPG-NRFANRHFSA-N 428.468 2.415 30 10 IEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1768505718 YCBZVSDDKVARQP-VQTJNVASSA-N 435.576 2.462 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C#N)o2)C[C@H]1O 1769449506 PLGWXPLEMJZBBF-RDTXWAMCSA-N 441.875 2.472 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCOCC(F)F)cc1 1770739962 DMDCPJQERMDIKJ-SFHVURJKSA-N 446.502 2.257 30 10 IEEE CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1771440220 DESMCTKVNXJTTL-SFHVURJKSA-N 426.546 2.007 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)CC1 1771539611 DSJGZDHMLWDQED-MRXNPFEDSA-N 445.474 2.446 30 10 IEEE O=C([C@@H]1C[C@H]1C(=O)N1CCc2ccccc21)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851218118 HNEKNNJDBJFNHZ-CHWSQXEVSA-N 429.420 2.082 30 10 IEEE Cc1nn(C)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)c1C#N 1851347187 GHPQFWZZNJIFBM-UXHICEINSA-N 432.528 2.470 30 10 IEEE COc1cc(N(C2CC2)C2CCN(C(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)ncn1 1851941910 DKNWAHLJHHZDOJ-UHFFFAOYSA-N 446.515 2.290 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3F)CC2)cc1 1852444360 LXPRPJDOQUENJJ-UHFFFAOYSA-N 431.489 2.169 30 10 IEEE COc1cccc2c1C[C@H](C(=O)Nc1nc(N3CCN(C)CC3)c(C#N)cc1C#N)CC2 1853138943 HULYEJZKGARNJN-QGZVFWFLSA-N 430.512 2.329 30 10 IEEE Cn1ccnc(N2CCC[C@@H](N(Cc3ccc(Br)cc3)C(=O)CC#N)C2)c1=O 1853597977 RPAPEIGRGLPQBF-QGZVFWFLSA-N 444.333 2.454 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2=O)cc1 1853779798 GGOIXONKHZNGJS-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE CON(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CCc1ccc(C#N)cc1 1854012024 KDFFFIIYPRQSCE-UHFFFAOYSA-N 427.482 2.179 30 10 IEEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H](F)CC2CC3(CCC3)C2)C(=O)C12CCCC2 1854418830 LRHROXWHDXSQBP-MRXNPFEDSA-N 425.526 2.132 30 10 IEEE C[C@H]1C(=O)N(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCN1S(=O)(=O)CC#N 1854787593 QQOSCUOCQPPUNK-KXBFYZLASA-N 445.928 2.385 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cc(F)cc(Cl)c3)C2)CC1 1857066225 IVEZXBFLMZXBHH-CQSZACIVSA-N 427.885 2.033 30 10 IEEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1 1857223833 QPCOOCBDNAFGGU-UHFFFAOYSA-N 425.510 2.113 30 10 IEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2)cc1 1858995404 YQMLZUBBLQMSBN-UHFFFAOYSA-N 449.492 2.436 30 10 IEEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)cc1 1860733352 ZNCVNSSXPVOIFZ-XBXARRHUSA-N 441.278 2.134 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572901 OTSBFLNQQYOQEM-LJQANCHMSA-N 441.436 2.363 30 10 IEEE CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc(C#N)c1 1866637742 FLIDRHWAYXRJSE-GOSISDBHSA-N 428.514 2.264 30 10 IEEE CCOC(=O)CCN(C)C(=O)[C@H](CC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868794379 BTJIFEKGZNEODW-ZWKOTPCHSA-N 448.589 2.331 30 10 IEEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN(CC)CCO 1870701442 XRNVPZYCTIDSOF-UHFFFAOYSA-N 429.517 2.265 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874309431 VRTOBFULYSZJBB-WSDLNYQXSA-N 440.485 2.440 30 10 IEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874350305 FRZWYZRRZXCBQD-SSDVNMTOSA-N 425.470 2.035 30 10 IEEE CCCN1CCN(c2ccc(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)nn2)CC1 1890579924 YAMOGSKJCUFLLA-UHFFFAOYSA-N 434.548 2.234 30 10 IEEE CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124533967 QSLNHZVYZRDORZ-ROUUACIJSA-N 446.353 2.319 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1cc(Br)ccc1C#N 2141251396 UDSWDEGCKZCORJ-GFCCVEGCSA-N 425.283 2.418 30 10 IEEE C#CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)c(Br)c1=O 2162337796 LSXRVAMOKSLKMW-GXTWGEPZSA-N 441.326 2.075 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247920144 WPLUZBBEWMDIBD-KBPBESRZSA-N 437.733 2.430 30 10 IEEE CC(C)(C)OC(=O)NCCOCCNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248565692 PUFBVYLKCUWZLG-UHFFFAOYSA-N 425.310 2.473 30 10 IEEE Cc1nc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255640039 IUANKOIORSJGQK-WDNDVIMCSA-N 449.382 2.346 30 10 IEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255696266 RIXZQXSQMZONEP-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255810210 AMAOXPTUSNKSJP-YEJXKQKISA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2256606356 SNLMABHGVAFJMU-UXLLHSPISA-N 436.358 2.441 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256619262 XMDVBUVSTLTXDH-ASSNKEHSSA-N 449.382 2.316 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2256640624 PWTNBLVPKQYYPB-IAGOWNOFSA-N 436.358 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2260111888 IYNOEHMGXMQCCU-OLZOCXBDSA-N 446.300 2.202 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267144319 UZEPTOSCMRXGAU-HNNXBMFYSA-N 446.357 2.180 30 10 IEEE CC1(C)OB(c2cc(C(=O)N[C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2267146743 PEWSHBHVTBGGPO-FHWLQOOXSA-N 436.365 2.492 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267185097 ZMBZTMCEYVDQNJ-UHFFFAOYSA-N 447.316 2.355 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 2267529595 NDUGYENJOLHICM-IBGZPJMESA-N 438.381 2.422 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267613455 CFPSRBPLNOEMHI-HOCLYGCPSA-N 446.357 2.199 30 10 IEEE C[C@@H]1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267883774 ITAZEZVFAVSDER-HUUCEWRRSA-N 446.357 2.294 30 10 IEEE C[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268641249 AXKXFODWHFEYFB-YJBOKZPZSA-N 448.369 2.439 30 10 IEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC 2269043020 ZCNYSXIQLPXUMA-UHFFFAOYSA-N 441.337 2.408 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#Cc2cccc(Br)c2)CCS(=O)(=O)C1 2278783942 MYDOTTMUBSNQOC-YJBOKZPZSA-N 443.363 2.210 30 10 IEEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278789939 PYSMOUPZEUFIHC-CRAIPNDOSA-N 444.347 2.244 30 10 IEEE Cn1cc(I)c([C@H](O)[C@H](N)C#Cc2cccc(Br)c2)n1 2296221398 IKYGXAKNYHPAHX-TZMCWYRMSA-N 446.086 2.200 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304832 PHGANOKRVFKVMX-MPBGBICISA-N 435.355 2.182 30 10 IEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2c(F)cccc2Cl)CC1=O 2329016162 AFUBPOPROAILEH-LLVKDONJSA-N 438.916 2.255 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccccn1 2330793146 CRUYQYOFIVTPDZ-HNNXBMFYSA-N 437.529 2.161 30 10 IEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2342544912 JSTBBBZRMQBKPF-GJZGRUSLSA-N 447.345 2.092 30 10 IEEE COc1cccc(CNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)c1 9860524 LOWKAVJRZRGKMC-RBUKOAKNSA-N 445.566 2.044 30 10 IEEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)c1=O 101350978 MPNAJXLLQHTRIS-UHFFFAOYSA-N 441.513 2.352 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccccn2)/C1=C(/O)c1ccc(F)cc1 102707418 ZQGMLLVMRUONCE-LCPUNJGISA-N 425.460 2.365 30 10 IEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)c(C)n1 102740883 XVMPWMBWIIRAKO-LAFOYAEKSA-N 442.541 2.299 30 10 IEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c(OC)c1 102758659 IORYZZNFUQWADR-GOBJLOIFSA-N 425.485 2.472 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)cn1CCOC 434214647 FPGQTVGAHFHWPD-LRDDRELGSA-N 446.426 2.350 30 10 IEEE Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)no1 438616884 DGIXVCAZLYVDBL-ODIFPOPNSA-N 443.529 2.816 30 10 IEEE N#Cc1ccc(OCCNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 460268945 JEXJWCRHIJWNRV-UHFFFAOYSA-N 427.526 2.471 30 10 IEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460375742 QQKLEMZOWBAZKC-LJQANCHMSA-N 447.561 2.132 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 460804644 QUGXDBKPXIQOTC-AEFFLSMTSA-N 435.550 2.430 30 10 IEEE CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)n1 462607771 ROVIRVHEAYBZLB-ZDUSSCGKSA-N 439.925 2.199 30 10 IEEE CCOc1ccccc1[C@@](N)(C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(F)(F)F 471248548 BPDBHMBAUGROCL-HXUWFJFHSA-N 433.434 2.417 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@]1(CCO)CCOC1 475814967 QZMIQRMUNIUGRJ-GOSISDBHSA-N 427.295 2.004 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CC1 479914837 PISKHTILQDLPAM-CQSZACIVSA-N 426.330 2.213 30 10 IEEE CCOC(=O)C1CCN(C(=O)CN(C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 487037627 GIRREPUBNPKCAP-FRIYVGAWSA-N 434.581 2.039 30 10 IEEE CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 505908526 YMDPQSGBFWHLIY-HXUWFJFHSA-N 433.512 2.305 30 10 IEEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3cccs3)c2=O)c1 539597011 HIQMXEPUYHCXSA-UHFFFAOYSA-N 439.562 2.460 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCN3CCOC[C@@H]3C2)c1 544588053 DVBFRZSMFVVHAH-IBGZPJMESA-N 436.537 2.446 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(OCC(F)(F)F)c3)CC2)n1 546907258 IDIQCXWTJIKLEQ-UHFFFAOYSA-N 433.390 2.182 30 10 IEEE COc1cc(CNC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)ccc1C#N 558599312 CQIIUNJGKOGGJY-UHFFFAOYSA-N 430.530 2.394 30 10 IEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 558983007 LYDIQVAYUVDLJS-IAGOWNOFSA-N 430.578 2.003 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 564070704 FHINRZLCEIUNEF-NRFANRHFSA-N 436.512 2.396 30 10 IEEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc(Cl)c(C#N)c3)C2=O)c(OC)c1 568665071 DPTQORWPPCCDAM-GOSISDBHSA-N 449.916 2.308 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 580353162 YTTWPBZBBUWMSG-UHFFFAOYSA-N 425.514 2.370 30 10 IEEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)c1 586581530 WWQFJFCYQOAEDM-UHFFFAOYSA-N 448.504 2.430 30 10 IEEE N#Cc1ccc(OC2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CC2)cc1 609686804 FZVRTDZMPLCRER-UHFFFAOYSA-N 432.477 2.098 30 10 IEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)c1 609743539 BRGDMSNBDBGBKX-FQEVSTJZSA-N 441.509 2.028 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)c(C#N)cn1CCOC 614215620 HTPIMWDFGFAYQU-UHFFFAOYSA-N 447.536 2.295 30 10 IEEE Cn1cc(C#N)c(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 615842390 RPBMVLBMQAYEKP-UHFFFAOYSA-N 437.287 2.354 30 10 IEEE C[C@@H]([C@@H](C#N)NC1CC1)n1cnc(I)c1I 711011488 VNILSUWBUCAUPS-POYBYMJQSA-N 442.042 2.297 30 10 IEEE N#C[C@@H](C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(-c2c(F)cccc2F)cs1 744073267 CEJNQDVXJFGBDV-KTFFQRGASA-N 443.431 2.427 30 10 IEEE CC(C)(C)c1noc(CCC(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 754786817 SALRAISMZHGNHU-UHFFFAOYSA-N 441.307 2.439 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)ccc1F 757011609 VOZVEMZNIIANBO-MRXNPFEDSA-N 433.505 2.307 30 10 IEEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(Cl)c2)C1 760299043 HVZXQSXBGSZDBF-LSDHHAIUSA-N 437.953 2.211 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)ccc2c1=O 767160670 PCBMRRRVFMIEOZ-GFCCVEGCSA-N 434.518 2.446 30 10 IEEE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 767918654 YKRNRLCEWLOZQB-VHXPQNKSSA-N 435.528 2.050 30 10 IEEE Cc1c(Br)cc(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n1C 774259173 DXQRWDGUEUMQFV-AWEZNQCLSA-N 447.245 2.003 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(N3CCOCC3)n2)C1=O 774263222 HVVOVLZIABRQLL-GOSISDBHSA-N 439.541 2.186 30 10 IEEE Cc1nn(C)c(C)c1CCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 775573847 RFPFKQGVMJZODQ-IBGZPJMESA-N 445.589 2.239 30 10 IEEE CS(=O)(=O)c1cccc([C@@H](NCCN/C(O)=C2/N=CC=CC2=O)c2ccc(F)cc2)c1 779103139 FRAGYSILNCDXGB-RZRVEKSFSA-N 443.500 2.435 30 10 IEEE COc1cnccc1[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 783870578 RJSBHBDMFCXHFO-WMLDXEAASA-N 430.530 2.421 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)n1 790105451 JIHULPZSRJICOO-UHFFFAOYSA-N 437.544 2.304 30 10 IEEE CCOC(=O)[C@@](C)(NC(=O)Cc1ccccc1CC#N)c1ccc(S(C)(=O)=O)cc1 797582065 CQSOTAVOWOIBPL-QFIPXVFZSA-N 428.510 2.293 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 802450991 BLQYTCMBMPWPMU-UHFFFAOYSA-N 426.521 2.211 30 10 IEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 802494492 CYVNGUVVCIYBKA-UHFFFAOYSA-N 434.504 2.246 30 10 IEEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 803921764 AWEKHIGBKGKCBB-UHFFFAOYSA-N 425.372 2.349 30 10 IEEE C=CC[C@]1(C(=O)OCc2cn([C@@H]3COC[C@H]3OC)nn2)CCCN1C(=O)OC(C)(C)C 811089203 DPOTUHDWHZBGAW-CBGDNZLLSA-N 436.509 2.253 30 10 IEEE CCCCn1c(=O)nc(O)c2c1nc(COC(=O)[C@H](C)Oc1ccccc1C#N)n2C 914679436 BEDNXFBOCQXAEP-ZDUSSCGKSA-N 425.445 2.018 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 915610902 GENMSNFXJLOLTJ-CQSZACIVSA-N 437.543 2.013 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1132560130 MAONISKCLDIRPV-SFHVURJKSA-N 429.521 2.415 30 10 IEEE CC(=O)N1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)cc2)CC1 1132833451 XXCZCPXDMKNJSJ-UHFFFAOYSA-N 445.527 2.458 30 10 IEEE CCCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1141490488 CEHAIVZCIULONA-UHFFFAOYSA-N 434.500 2.031 30 10 IEEE C#CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)CC(=O)OC(C)(C)C 1171791290 GCXVIIFPPOIHCO-QZTJIDSGSA-N 447.551 2.332 30 10 IEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1286336905 ZFXYTPBOPSVRDG-UHFFFAOYSA-N 434.544 2.326 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286394051 UACGRWBQHPCOMU-PMACEKPBSA-N 446.548 2.384 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(Cl)cc1 1286409405 LEFGASDGYNODAE-MJGOQNOKSA-N 446.960 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286438844 JJCDKKMBPRZYIH-UHFFFAOYSA-N 437.525 2.219 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1286481536 FBXYDMBMZHBAJM-NRFANRHFSA-N 435.601 2.384 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286483297 FXLSVLYRQBQOTL-DEOSSOPVSA-N 438.645 2.256 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCCOC)CC1 1286486916 IHGZTRDMGQUHJV-UHFFFAOYSA-N 445.951 2.227 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286508553 UNONPIIVPYRRCA-MRXNPFEDSA-N 432.619 2.495 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286559245 VQPLMSWSKCXUHF-VQIMIIECSA-N 425.599 2.072 30 10 IEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCC[C@H]2CO)CC1 1286639072 XADUGXUVGBOUJI-NZQKXSOJSA-N 433.597 2.324 30 10 IEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNS(C)(=O)=O)CC1 1286658928 CXPUQIAWEDHOCZ-UHFFFAOYSA-N 439.532 2.489 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286710398 WFAKXOBNICOCFK-INIZCTEOSA-N 429.525 2.071 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1286785729 RCZXKXUWZYECAG-INIZCTEOSA-N 438.536 2.476 30 10 IEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1286785832 KEFGOJHGFRCPKE-UHFFFAOYSA-N 425.924 2.309 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC(O)CC2)C1 1286812335 OGOWRBWSEBGICG-HXUWFJFHSA-N 446.621 2.262 30 10 IEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286833480 FKFBIXUZEUBVQQ-UHFFFAOYSA-N 433.553 2.222 30 10 IEEE Cc1nnc(N2Cc3ccc(Br)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290751881 JTKYABSUGBIGKP-ZCXUNETKSA-N 443.305 2.396 30 10 IEEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)cc1 1291831350 CEXYJLMQZCELOD-DRTYGMKQSA-N 430.534 2.456 30 10 IEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1294879844 FUDCESLPFQLUAS-FQEVSTJZSA-N 447.547 2.393 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300382313 PWVHTKBIOLRVQU-IBGZPJMESA-N 430.597 2.159 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300491057 DMXVEGCCHVTYTA-KRWDZBQOSA-N 431.562 2.470 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1300626568 UUPFZRNHIIIUKS-RBUKOAKNSA-N 447.580 2.392 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CC 1300665940 TXMWKQZLQHQSAC-LJQANCHMSA-N 425.533 2.287 30 10 IEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@H]2C1 1300765847 MYUBHJJTXDHTDG-MRXNPFEDSA-N 433.528 2.034 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1301309573 FSPMWCHVGDUKHG-MUKKYZEKSA-N 428.537 2.345 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1301348800 HXNSVZLWJHQSBB-OTWHNJEPSA-N 449.552 2.334 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC2CC2)CC1 1301514579 KPAGEUISUWWZBS-UHFFFAOYSA-N 438.576 2.308 30 10 IEEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1307909278 PFYMAAZMARSLRW-JLTOFOAXSA-N 439.468 2.124 30 10 IEEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1312976572 HYBFXQDELFKJLY-UHFFFAOYSA-N 443.591 2.029 30 10 IEEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1314490823 URDGTGFFSFMTPN-UHFFFAOYSA-N 426.521 2.070 30 10 IEEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1314533126 AJQUYLHHNWCXJL-HXUWFJFHSA-N 441.557 2.382 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@@H](C)C2)cc1 1315536492 GWHNMXLEEYKSSI-NQIIRXRSSA-N 440.548 2.326 30 10 IEEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1316033592 UAPPPAGLFGERBU-UHFFFAOYSA-N 437.548 2.139 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358955487 MVPLPWZNLGQLEH-KRWDZBQOSA-N 447.580 2.456 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CC 1358993623 SHXQAMWQKFPDKV-QFIPXVFZSA-N 446.603 2.399 30 10 IEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCCC1 1358995933 LQXDCHWJXZPFFY-UHFFFAOYSA-N 425.558 2.084 30 10 IEEE C=CCCOCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1359229734 SFCVLASZRSVJJS-HIFRSBDPSA-N 442.492 2.293 30 10 IEEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1360143333 DTPNRGZYSZJGQW-UHFFFAOYSA-N 430.578 2.172 30 10 IEEE CC(C)(CCS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1444982920 GFGOCLAYECMHMO-RDYUPDBUSA-N 427.567 2.103 30 10 IEEE C=C(C)CONC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1452773487 HIVPDSYPNFZUCP-DYVFJYSZSA-N 445.969 2.359 30 10 IEEE N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](n2nncc2I)C1 1455178646 XEGZWFIJBNHICI-SNVBAGLBSA-N 425.205 2.371 30 10 IEEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1C#N 1455783256 SRMMAVZEGVLKIM-UHFFFAOYSA-N 445.566 2.356 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)NCCCONC(=O)OC(C)(C)C)ccc2c1=O 1458029435 VLZUZPRVGOOFER-UHFFFAOYSA-N 434.518 2.447 30 10 IEEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@](C)(O)c1ccccc1 1473572871 IEYKEIRARXONRK-DEOSSOPVSA-N 449.511 2.294 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccc(Br)cc1 1478897239 WLTXGYSTYPWRIX-DLBZAZTESA-N 440.363 2.333 30 10 IEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C[C@H]1C 1502262804 DUGCBDZVGBMRHA-SJORKVTESA-N 449.563 2.317 30 10 IEEE COc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C 1504383846 VUPQXXVJNAFCBN-HNNXBMFYSA-N 433.516 2.439 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507517927 RSKDYOYTWSLUNE-CVEARBPZSA-N 429.496 2.297 30 10 IEEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1507603263 UFRQPIHGFMMGQU-LJQANCHMSA-N 427.574 2.242 30 10 IEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507628949 QTGFTAXRQAZGSV-HIFRSBDPSA-N 439.994 2.372 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cncn1 1507689745 MMXKVKNYTQVFKA-UHFFFAOYSA-N 428.541 2.144 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)(F)F)CC1 1507724817 XIYFKMGBFRIODF-UHFFFAOYSA-N 447.465 2.198 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(Cl)cn2)CC1 1507724889 LKCPRPABFCVEBQ-UHFFFAOYSA-N 425.924 2.166 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1507732988 WABKRVIGGOMACC-RTBURBONSA-N 427.524 2.303 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2ccccc2)CC1 1507733889 NOCLOOSMWPCQLA-UHFFFAOYSA-N 436.560 2.015 30 10 IEEE C=C(Br)Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507778297 DADMLMTXHHRXDL-CQSZACIVSA-N 425.375 2.064 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1508033012 JIRLXYQNZPZQGP-PKOBYXMFSA-N 432.546 2.353 30 10 IEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCCO 1510428238 NILUDTNHNQPSFK-FQEVSTJZSA-N 449.556 2.151 30 10 IEEE Cc1cscc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1511482239 FQTZINSTJQHFFD-OAHLLOKOSA-N 428.543 2.417 30 10 IEEE Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1511609030 QYJBGBGCWIMJCS-UHFFFAOYSA-N 448.531 2.040 30 10 IEEE CC[S@@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1516852665 CYDBVQOVJGEOHW-XELLLNAOSA-N 427.372 2.411 30 10 IEEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1517225530 GNVWVUKDIRIYDI-SLNYWTKHSA-N 436.516 2.334 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)cc1OC 1518163866 BDXPFYHHGAVZDM-GOSISDBHSA-N 437.504 2.057 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1519423360 CYUQHUZBCQEIDP-OALUTQOASA-N 438.532 2.279 30 10 IEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1539078095 SOVJJHKRLRVMAI-UHFFFAOYSA-N 440.573 2.334 30 10 IEEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS(=O)(=O)CC1 1539093641 BHLWTGSOPOFPGE-QGZVFWFLSA-N 432.546 2.465 30 10 IEEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539190552 MJDZLFKLNJMEHC-IRXDYDNUSA-N 430.553 2.115 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)F 1539340498 NIOLGMBCQUSRNO-UHFFFAOYSA-N 441.442 2.472 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1539370620 XZQRBMOXDQVYFP-MRXNPFEDSA-N 430.530 2.195 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@](C)(O)CCC)CC1 1539444617 RJNYIQYKXTZFRZ-XMMPIXPASA-N 433.560 2.437 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(C)C)N2CCCC2)CC1 1539460055 UDKYFLRLSWASPH-QFIPXVFZSA-N 438.624 2.015 30 10 IEEE C=C(C)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539733534 CYPXFKGNOHWXJK-QHCPKHFHSA-N 433.597 2.443 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539887706 GIACMJUYNUSCPD-DLBZAZTESA-N 429.487 2.448 30 10 IEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1540142868 POFUKPGABSNRKL-KRWDZBQOSA-N 437.529 2.026 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540867524 ZBAIZVAFHRKEBA-SFHVURJKSA-N 432.488 2.194 30 10 IEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1540870479 OGRNKOKHJUOWTD-UHFFFAOYSA-N 426.496 2.230 30 10 IEEE CC(C)N(Cc1ccco1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541612316 FIHZKAXIMSZSGO-YGCDDZCOSA-N 440.504 2.316 30 10 IEEE C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1541858785 NUTRTPXVULOXCH-VFNWGFHPSA-N 434.466 2.310 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CCOC1 1544077951 NWMLOTXRADOXTC-ISHFTEKXSA-N 446.596 2.168 30 10 IEEE CN(Cc1ccco1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1554180116 DBJFOJWBIGTZDO-QZQOTICOSA-N 433.472 2.020 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 1558621990 PSEJNGIMMWNUCS-CQSZACIVSA-N 435.527 2.024 30 10 IEEE CC[C@@H](O)Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1558634263 YRHZFYCFLFELGU-HLTSFMKQSA-N 436.303 2.292 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)c1 1566215338 IMAZCAHSCHCEOU-FQEVSTJZSA-N 442.928 2.467 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)CC1 1568994853 FUYCCLAEFAENLP-UHFFFAOYSA-N 441.509 2.431 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1(CS(C)(=O)=O)CC1 1587635252 FAUUYHUOSHGYIJ-SFHVURJKSA-N 447.557 2.334 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1587739313 VEUDVFLZOKNLDW-UHFFFAOYSA-N 441.532 2.061 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1ccccc1 1587861653 PDGRYWLMOZQJNX-HXUWFJFHSA-N 445.589 2.093 30 10 IEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1587974806 BDAXPFVTCXANHC-HNNXBMFYSA-N 442.520 2.475 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1588224434 ZAJNTDLSWJKKNZ-HXUWFJFHSA-N 426.542 2.434 30 10 IEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1589116224 FFVMNGBZNWFZFM-UHFFFAOYSA-N 425.558 2.343 30 10 IEEE CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1596763279 HNXFOQBSEUCTRF-KRWDZBQOSA-N 449.573 2.443 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1596782203 GVISMPXCHIJMSE-CABCVRRESA-N 443.533 2.187 30 10 IEEE COc1ccc(CNC(=O)CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cc1 1597621238 ZLCBYRHWTFREOY-UHFFFAOYSA-N 438.333 2.349 30 10 IEEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1597975970 FQSPPAZQQWVIGC-NTKDMRAZSA-N 449.559 2.036 30 10 IEEE C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1611590873 BXZURCZRUDWLQK-FQEVSTJZSA-N 444.587 2.408 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1611613056 LCGZNSCJLQYCRD-QIJUGHKUSA-N 434.560 2.493 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCN1CC(F)(F)F 1612916666 DNGRSUWAQBWGEY-WMLDXEAASA-N 447.465 2.168 30 10 IEEE CCCN1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1614801222 DACMKNUCLGXAPA-UTKZUKDTSA-N 440.548 2.423 30 10 IEEE C[C@@H]1CCc2nc(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)c(C#N)cc2C1 1617371459 TYCDIKMKUTUIRX-MRXNPFEDSA-N 429.480 2.088 30 10 IEEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C1CCOCC1 1618322362 NGLNCYAMXXTUNS-IBGZPJMESA-N 434.558 2.418 30 10 IEEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCS2 1618557166 PGYIXFAHYHCLIQ-IEEPAPPKSA-N 427.526 2.245 30 10 IEEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CCOCC1 1620034269 CFQXNVUDYCOLEQ-FQEVSTJZSA-N 441.532 2.254 30 10 IEEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)C1 1620053991 AAAAVKVFYRCIFD-IBGZPJMESA-N 438.488 2.241 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCOCC2CCOCC2)cc1 1620352587 YMXHGQKXOUOGGV-UHFFFAOYSA-N 441.532 2.399 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN(c4ccc(F)cc4C#N)CC3)OC2=O)C1 1620507872 AGKLKZPQHFRDML-GOSISDBHSA-N 444.507 2.372 30 10 IEEE Cn1c(CO)nc2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)ccc21 1624380634 NMISPLZSLCIFAS-UHFFFAOYSA-N 447.474 2.207 30 10 IEEE N#C[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccc(OCc2ccccc2)cc1 1627898973 UDOWTDXWFMYTLT-NRFANRHFSA-N 436.493 2.320 30 10 IEEE C#CCN1CCCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 1629537370 XRZVKIOQLOWEDU-UHFFFAOYSA-N 429.517 2.337 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCN(C[C@H]4CCCO4)CC3)C2)C1 1631216931 OIJMEAZKOQWBAM-QFKVYABISA-N 446.592 2.487 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCOC[C@@H]1c1cccc(Br)c1 1632953831 SVBXFTLHNGNUAW-AMGRQBIBSA-N 434.290 2.266 30 10 IEEE COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1cccc(C)c1 1633115032 NZWYQCTWFQWLND-MRXNPFEDSA-N 432.473 2.193 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2nscc2I)C1 1633662017 CXRLIDOKNYOXRC-WPRPVWTQSA-N 448.286 2.237 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1F 1635415773 PZYHHXQZUNMZTM-INIZCTEOSA-N 444.488 2.172 30 10 IEEE C#C[C@@H]1COCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1637715101 FDAMUIMLZIOABQ-QZMQVMSPSA-N 434.492 2.135 30 10 IEEE COC(=O)[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC1CCCC1 1640253762 JKVNZPIQZZCBQM-HKUYNNGSSA-N 440.500 2.249 30 10 IEEE C=CCn1c(SCC(=O)NN2C(=O)[C@@H](C)N(C)C2=O)nnc1-c1ccc(Cl)cc1 1640913221 BOOUCSBYTOFLHL-LLVKDONJSA-N 434.909 2.190 30 10 IEEE COC(=O)CN(CC#N)CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1641951633 KGEOCBBHVCMPHO-UHFFFAOYSA-N 431.496 2.213 30 10 IEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)[C@H](C)O)c1 1642581451 FZRVMBLAZGQBBT-LIRRHRJNSA-N 438.933 2.193 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCC)cc2OC2CCCC2)CC1 1644285309 MKZPLLWRVAFDQG-UHFFFAOYSA-N 449.573 2.022 30 10 IEEE N#Cc1cncc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 1645990040 PAVBHFBAHHJTJC-QHCPKHFHSA-N 439.475 2.083 30 10 IEEE COC(=O)c1cnc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)s1 1652042977 NNOGRQUKHXBJBE-UHFFFAOYSA-N 435.303 2.316 30 10 IEEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1658029467 VSGWPRFGBYYALH-OAHLLOKOSA-N 426.539 2.181 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@](O)(CN(C)C)C2)n(-c2ccc(F)cc2)c1C 1659181580 RHUMQVDAEAHAQL-QHCPKHFHSA-N 427.524 2.432 30 10 IEEE C#Cc1ccc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)cc1 1664280652 PNAFOJWMZZFHFN-QGZVFWFLSA-N 432.542 2.011 30 10 IEEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1666053220 ITOWQGJNTRTKAO-RTWAWAEBSA-N 433.574 2.052 30 10 IEEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NCC#CCN(C)C)C1=O 1672542197 IVWVKSRQKOGNGZ-KRWDZBQOSA-N 435.366 2.426 30 10 IEEE C#CCN(C)CCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 1682790333 RTSIXSLXDRAULW-HNNXBMFYSA-N 436.354 2.159 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1689988877 XWTRTHIKLBPUNO-KRWDZBQOSA-N 434.949 2.493 30 10 IEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCOC1 1690172739 MUKCBZAFGRYQQZ-GOSISDBHSA-N 441.605 2.291 30 10 IEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cncn2)C1 1690319042 AYZXRFVJBMLIIL-IBGZPJMESA-N 425.541 2.165 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CCN(CC)CC2)CC1 1690397161 XBHBILOYSDPDOL-KRWDZBQOSA-N 438.642 2.413 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(CC)nn(C)c2OC)C1 1690699675 HVMMVWDQYOADGJ-IAGOWNOFSA-N 430.553 2.306 30 10 IEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(C)ccc21 1690729233 JOYZZFMOOZXPBY-UHFFFAOYSA-N 429.546 2.004 30 10 IEEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(OCC(N)=O)c2)n1 1693189229 CSYLQZNMHQOSMR-JOCHJYFZSA-N 435.463 2.003 30 10 IEEE C[C@@H]1CN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCO[C@H](C#N)C3)cn2)CCO1 1693745951 HLZWEGARSGYOOJ-IEBWSBKVSA-N 439.564 2.264 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCN(c4ncc(F)cn4)CC3)n2CCCCCO)cc1 1698487407 KHQCTWBAMMRMQS-UHFFFAOYSA-N 436.495 2.235 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1705506178 SCSIYZUQXGZQKX-HOTGVXAUSA-N 428.541 2.468 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1ccccc1 1705533256 WPDAQKYBOXPOSE-AZUAARDMSA-N 445.589 2.264 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1705633317 OIAQGJJJENXFBI-MOPGFXCFSA-N 437.596 2.048 30 10 IEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1705656751 HWNOBGPOXUBLQK-KRWDZBQOSA-N 427.530 2.145 30 10 IEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705658788 BBEPQYVBQJUVNE-OAHLLOKOSA-N 429.571 2.416 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(CC)CC)CC1 1705906110 SMFIPPSNPQNHJA-UHFFFAOYSA-N 431.610 2.247 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1705924351 CSCYDQMQBQDPDT-HZPDHXFCSA-N 437.953 2.058 30 10 IEEE Cc1cc(CN(C)c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)no1 1707290405 AUVRVFRVYQJUCV-MRCUWXFGSA-N 439.520 2.470 30 10 IEEE Cn1cnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](C#N)C2)n1 1711267951 DTFMOOFEROTYNC-GOSISDBHSA-N 436.520 2.060 30 10 IEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1 1711880969 ZVQXPPLFXHYUIS-NQIIRXRSSA-N 431.468 2.113 30 10 IEEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(F)F)C1 1712913208 XMVDXSRAZPWLLU-NIGUIEARSA-N 431.447 2.281 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCCn1cc(Br)cn1 1722285550 XQSHURLJVHVILW-CQSZACIVSA-N 436.358 2.314 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722366367 IEJZBOHQVSIXEL-PMACEKPBSA-N 426.542 2.122 30 10 IEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1722412760 DIQVAZLGQRWCPV-GOSISDBHSA-N 432.569 2.142 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CCCS2)CC1 1722431355 OGEHWFUBYHCFPQ-YADHBBJMSA-N 433.622 2.360 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2sc(C)nc2C)CC1 1722449373 QKPNYMPOTWCIKF-UHFFFAOYSA-N 449.584 2.351 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCS(=O)(=O)C(C)(C)C 1722467723 CCOLIASRDXVBSM-OXJNMPFZSA-N 426.583 2.208 30 10 IEEE C=CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O)C1CC1 1722650405 ZWBBPSMQUSWIOW-UHFFFAOYSA-N 428.518 2.304 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1 1722865348 GVDRDQWELNZYRT-GOSISDBHSA-N 434.552 2.393 30 10 IEEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1727969811 GETIWHLPESEBMG-IBGZPJMESA-N 438.532 2.260 30 10 IEEE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1729329077 VIXCOCXLENRKME-OAQYLSRUSA-N 429.475 2.209 30 10 IEEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1729606177 BZGXEXPIMLDPQI-UHFFFAOYSA-N 449.519 2.051 30 10 IEEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1730514509 BCGUSKAOSCLOGO-UZLBHIALSA-N 439.557 2.219 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([S@](C)=O)CCC1 1730761802 IDWOWCGKJCEWEH-HKBQPEDESA-N 445.545 2.341 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740622990 MIBNQEZGYPHZJZ-KPFFTGBYSA-N 445.589 2.336 30 10 IEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1740710769 BWZVBJHICLMWJU-SFHVURJKSA-N 443.573 2.434 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1740953763 PYRDFDXGJSAQHX-UHFFFAOYSA-N 446.983 2.448 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(C)C)CC1 1740988729 NTFYDTAOYQSGSX-UHFFFAOYSA-N 447.605 2.333 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740994091 MKYIHWHCFFRVTH-NQIIRXRSSA-N 440.610 2.402 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C(C)C)C(C)C 1748836126 QLLVVGSHFNMFPM-UHFFFAOYSA-N 431.548 2.112 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2[nH]1 1748892594 SGVXULJYRAJYOD-LJQANCHMSA-N 435.553 2.367 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC(F)(F)CO1 1748956733 HXWOQGUPMQZFAN-MRXNPFEDSA-N 436.459 2.473 30 10 IEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1749048793 BHFPHGFSYVKCHF-IEBWSBKVSA-N 431.606 2.374 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(C)c1 1749073296 KMIBWMVBSOTKTA-XMMPIXPASA-N 434.544 2.131 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC[C@H]1C 1749221681 OQQMCCOEIYHGHL-XLIONFOSSA-N 440.548 2.362 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1749725800 UZBQXFDUJBGXBA-FQEVSTJZSA-N 449.508 2.005 30 10 IEEE C=CCSCCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749754680 QAIOQPDZUJDHGH-FXAWDEMLSA-N 432.638 2.454 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1760117551 QFMIBBXHSQUCSF-QAPCUYQASA-N 432.546 2.462 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1760118603 IZZJCPICCQEAOM-KRWDZBQOSA-N 442.589 2.480 30 10 IEEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1760132403 MZTXHIHDUCHBOR-GOSISDBHSA-N 431.924 2.362 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760160131 ZNHDZYJGGVIKHI-KURKYZTESA-N 444.580 2.425 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC(=O)N(C)C 1760208335 BENLIGWLBRBLMP-UHFFFAOYSA-N 434.544 2.479 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C#N)o1 1760218466 HGUADDLHWVKGTN-UHFFFAOYSA-N 440.511 2.428 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCN(CC)C2)CC1 1760264066 AGVMFRPKCIXALF-IBGZPJMESA-N 426.540 2.093 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760517589 RBNHJSWAFQNRAS-SFHVURJKSA-N 425.924 2.077 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760525746 PPYFECAKKIRRNX-QGZVFWFLSA-N 425.562 2.480 30 10 IEEE CC(C)[C@@H]1CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760949971 BEJCVXQFAWEICX-VEGAHXMMSA-N 435.532 2.415 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1761238508 RMTFPEIYYNAFGG-IXDOHACOSA-N 432.569 2.375 30 10 IEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1763422611 FBDXXSNXUHCQKK-GSHUGGBRSA-N 429.521 2.392 30 10 IEEE COc1ccccc1OCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1768984836 NXJPTRPXWZZTFM-QGZVFWFLSA-N 436.472 2.266 30 10 IEEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCOCC2)CCCC1 1770308630 HQBSTSZBXSDHTK-UHFFFAOYSA-N 429.546 2.401 30 10 IEEE N#CCc1ccc(C(=O)OCC[C@H](c2ccccc2F)N2CCS(=O)(=O)CC2)nc1 1851592147 VAMCAJNERPDNEC-HXUWFJFHSA-N 431.489 2.305 30 10 IEEE C#CCN(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)[C@@H]1CCc2ccccc21 1851654584 ZURFKRVYZSKFCT-DNQXCXABSA-N 436.577 2.477 30 10 IEEE COc1nc(=NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c(C#N)c(C)[nH]1 1852036374 GKLPIYIILAIGDN-UHFFFAOYSA-N 435.410 2.060 30 10 IEEE COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cn4)CC3)nn2)c1 1852082696 ZFPQAYCSPARBHU-UHFFFAOYSA-N 430.468 2.390 30 10 IEEE Cn1[nH]c(=NC(=O)CCc2ccc(C#N)cc2)nc1N1CCN(c2ccc(F)cc2)CC1 1852198264 TXUDXCOXHADWOC-UHFFFAOYSA-N 433.491 2.146 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C)C(C)(C)C2=O)[C@H]1c1ccc(C#N)cc1 1856056617 GPBIGWSWXZABCT-MOPGFXCFSA-N 428.558 2.031 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1OC 1862567210 NLRDTHRVPYFDRV-CWTRNNRKSA-N 442.468 2.254 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(CCC)nn2C 1865225464 WNUBDCNAWOEQGB-IBGZPJMESA-N 440.544 2.473 30 10 IEEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870383454 HRDBAXKOZAXCPY-UHFFFAOYSA-N 425.529 2.329 30 10 IEEE C=CCn1c(C(=O)NCc2ccc(OC)cc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595389 APELWBWTOCQCSM-UHFFFAOYSA-N 448.527 2.258 30 10 IEEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCC(N)=O)nnc1-c1ccccc1 1874427640 TZZYQWSPAAJTIU-SSDVNMTOSA-N 427.486 2.431 30 10 IEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(C)cc(C)c3)CC2)CC1 1889626992 GHRUSVRVPBOAHT-UHFFFAOYSA-N 433.618 2.114 30 10 IEEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C)c1 1891495861 SJVXFUSUWLLCDH-HXUWFJFHSA-N 442.537 2.355 30 10 IEEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC(COc4ncccc4C#N)CC3)co2)no1 1891717788 QYXSGXQLFBCMNN-UHFFFAOYSA-N 436.428 2.421 30 10 IEEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 1984781002 PGHMRBLFRZSZQH-XCLFUZPHSA-N 427.498 2.036 30 10 IEEE C=CCN(CC(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985011422 NNCSIPDGEBXIAA-CVEARBPZSA-N 427.542 2.144 30 10 IEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1(O)CCC1 2014486502 UOGGQIFLEDQFTB-RBUKOAKNSA-N 428.533 2.031 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523584 IDOUZFXVUBNPFR-ROUUACIJSA-N 446.353 2.142 30 10 IEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778278 NLFOQGOYJXCNLY-NWDGAFQWSA-N 447.204 2.401 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnc2c1nc(Br)n2C 2180888926 QAWVOYABTKIUBI-JTQLQIEISA-N 437.298 2.371 30 10 IEEE Cn1cc(I)c([C@H](O)[C@@H](N)C#Cc2ccccc2Br)n1 2235726216 ORSFEHYTZLFVFR-GXTWGEPZSA-N 446.086 2.200 30 10 IEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413197 SZHDKBCJEKYYOR-LBPRGKRZSA-N 441.359 2.311 30 10 IEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC1 2255533992 ASUZFEBOTYQGHB-UHFFFAOYSA-N 431.342 2.416 30 10 IEEE CC1(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255628940 OUNUQRYSWVKCID-UHFFFAOYSA-N 434.346 2.086 30 10 IEEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255629445 VTGKRNZGDYILMZ-UONOGXRCSA-N 434.346 2.084 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255698808 LJECOXAOHSKQNA-RHSMWYFYSA-N 431.342 2.366 30 10 IEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255814301 ZIDJBBDQYYGODM-UHFFFAOYSA-N 431.342 2.462 30 10 IEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCN)Cc1ccccc1 2255954892 FMDKQQPKROCDDJ-UHFFFAOYSA-N 446.378 2.144 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2260847455 XVXRFXZXBKDIDL-YESZJQIVSA-N 434.342 2.152 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267000866 CZRNHPXNHJUZNE-YJBOKZPZSA-N 443.353 2.462 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CC(NC(=O)OC(C)(C)C)C1 2267496445 XUMRRUUVHZNIQA-UHFFFAOYSA-N 448.373 2.143 30 10 IEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267504430 RWBVBQSWOUJILP-INIZCTEOSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2267567017 HJJGWAWNLILENK-MSOLQXFVSA-N 447.385 2.211 30 10 IEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267586745 OAUGMJWJBNPMAN-OCCSQVGLSA-N 441.259 2.052 30 10 IEEE COCC[C@@H](CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267593714 NIZMFNLGBQPNPB-HNNXBMFYSA-N 449.357 2.040 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267596724 LJJJVZDASDFTPW-HOTGVXAUSA-N 445.369 2.402 30 10 IEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2282110475 ORJNUBJGARXNDR-JOCHJYFZSA-N 449.404 2.498 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC34OCCO4)c(Cl)c2)OC1(C)C 2282500286 JQYUNTYKVCARJA-INIZCTEOSA-N 443.758 2.213 30 10 IEEE CC#CCN(CC(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300541124 DCWJTJDCLFDSDQ-JOCHJYFZSA-N 439.553 2.125 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H](O)C1 2322295696 BISYSEDLAPELIN-HOTGVXAUSA-N 437.321 2.302 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@@H]21 2341939530 CTNXOQXFPXPJQG-HOTGVXAUSA-N 446.357 2.323 30 10 IEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343638591 FYRARPGEVXGGJZ-DLBZAZTESA-N 449.332 2.410 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1cc(B3OC(C)(C)C(C)(C)O3)c(F)cn1)CCO2 2345735335 HZAYHSWABYHWFL-UHFFFAOYSA-N 449.332 2.346 30 10 IEEE C[C@@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 438482898 BFERZIRPDFDVRK-MRXNPFEDSA-N 444.532 2.400 30 10 IEEE COc1cc(CNC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)ccc1C#N 460601971 YIQVVHFHBWAQAL-UHFFFAOYSA-N 431.499 2.093 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 468523933 SIGKAOKZBLMQLS-UHFFFAOYSA-N 434.338 2.060 30 10 IEEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)ccc21 471052911 LKJLHYIAVAWYEN-UHFFFAOYSA-N 434.500 2.337 30 10 IEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)C2)cc1 495564538 JGPXAWPEGYUMSA-NRFANRHFSA-N 443.525 2.160 30 10 IEEE Cc1cc(N2CCC[C@H](N3CCN(c4nc(C(F)(F)F)ccc4C#N)CC3)C2=O)n(C)n1 505820748 UEDADTFGUAMAIC-INIZCTEOSA-N 447.465 2.332 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 508889691 UCMYTLIEHSSLDO-SFHVURJKSA-N 443.573 2.373 30 10 IEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1C 510108639 FNVYEJJCROPACJ-NRFANRHFSA-N 440.569 2.161 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NCc3ccccc3)cc21 526839493 IEQWVMVEAYUPQG-AZYRPFHASA-N 440.521 2.234 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C#N)cs2)c1=O 530654631 SXUNQICQZWTSPI-UHFFFAOYSA-N 427.551 2.142 30 10 IEEE COC(=O)C[C@@H](C)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542959835 GSKLEXOHEANPGQ-CQSZACIVSA-N 430.896 2.498 30 10 IEEE Cc1nn(C)c(C)c1[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(F)(F)F 543662966 NVRMKGSARYTDIQ-BZNIZROVSA-N 436.442 2.222 30 10 IEEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 553560798 VPEYQHNNKSXNFC-BLLLJJGKSA-N 429.336 2.167 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1OC 584379209 QGJTYJDGVGSLAO-MJGOQNOKSA-N 447.561 2.147 30 10 IEEE CC(C)c1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)s1 586297490 BIHMDFCVIADOBK-NDEPHWFRSA-N 437.572 2.409 30 10 IEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(F)cc2)c1=O 603786053 GAZOETACGOGEEG-UHFFFAOYSA-N 427.526 2.436 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 604659859 AYMCGLUFJQPEEB-UHFFFAOYSA-N 435.366 2.110 30 10 IEEE Cc1nc(=NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)n(-c2ccc(C#N)cc2)[nH]1 610112713 YGJVVTREJPPOEL-UHFFFAOYSA-N 433.497 2.286 30 10 IEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(CC(=O)N2CCOC[C@H]2C2CC2)CC1 611530713 XQIJQEKKRLEEFX-UXHICEINSA-N 447.377 2.269 30 10 IEEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccsc2)C1=O 730143898 FIDPQMILIXCAQG-GOTYSUTNSA-N 445.614 2.254 30 10 IEEE Cc1cc(=O)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1-c1ccccc1C(F)(F)F 732650073 ZIHIHOUPFLVIQV-OAHLLOKOSA-N 431.418 2.372 30 10 IEEE CN(CC(=O)N[C@H](C#N)c1ccc(Br)cc1)C1=NS(=O)(=O)c2ccccc21 733253688 OEQAIAOSTOXIOO-OAHLLOKOSA-N 447.314 2.211 30 10 IEEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCOC[C@@H]1CCCO1 734296762 VHKCBQLYIVMASE-HKUYNNGSSA-N 442.541 2.354 30 10 IEEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NC2CC2)[n+]2cccc(O)c2Cl)C=C1 735664106 HKEHBMQZQDUNDG-UHFFFAOYSA-O 440.954 2.480 30 10 IEEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(C#N)cc1 740211695 VMUPIOKWYAITDD-CGROQTEOSA-N 441.484 2.452 30 10 IEEE COC(=O)CN1CCN(c2ccc(NC(=O)NCCOc3ccc(C#N)cc3)cc2)CC1 743140486 BSZAHLHCMYMSGM-UHFFFAOYSA-N 437.500 2.054 30 10 IEEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)[C@@H]1CCS(=O)(=O)C1 751274412 ASTQUJLKWPZTQH-WOJBJXKFSA-N 438.549 2.341 30 10 IEEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(CC)s2)c1=O 752184696 FKCJDISIJOBQEM-UHFFFAOYSA-N 431.583 2.228 30 10 IEEE CC(C)(C)c1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 756779314 IGAINHYHZHXAPI-HXUWFJFHSA-N 434.544 2.366 30 10 IEEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1-c1ccc(F)cc1 760379363 SVIKWDNNAHNHOF-UHFFFAOYSA-N 440.525 2.011 30 10 IEEE CCC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)C1 761847600 BAGPRLYCUYLYJD-SJORKVTESA-N 432.521 2.437 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](OCc3c(C)noc3C)C2)ccc1F 762548120 VXAAVFPHMCYFOL-INIZCTEOSA-N 437.493 2.326 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(C)cc(Br)c2)c1=O 772277291 OEGVCXDPJRUAKM-UHFFFAOYSA-N 446.370 2.196 30 10 IEEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NS(=O)(=O)Cc1ccccc1C#N 772550247 YREGQCSNXURTBV-INIZCTEOSA-N 439.559 2.247 30 10 IEEE C#CCN(C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)[C@H]1CCS(=O)(=O)C1 773315566 WPCHAEAIBYBHCH-HNNXBMFYSA-N 444.538 2.349 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NS(=O)(=O)c3cnn(CC(F)F)c3)cc2)nc1 778909354 DVMXYHBLKUVCRO-UHFFFAOYSA-N 433.396 2.326 30 10 IEEE CC[C@H]1C[C@H](C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 779758937 WVIZJIRUPZUTBL-ZBFHGGJFSA-N 426.495 2.219 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(C)c2Br)n1 788693441 CVNDNFFBNRHXFG-UHFFFAOYSA-N 426.336 2.425 30 10 IEEE N#CC1CCC(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 799385969 LZFOJJAVPGYLEL-VMBOVVBDSA-N 431.514 2.070 30 10 IEEE C=CCCc1ccccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800605164 BVKXNHKHZKIWIB-UHFFFAOYSA-N 447.479 2.422 30 10 IEEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(-c4ccccc4C#N)c3=O)s2)cn1 800847652 AGJHAGSJZYDQAJ-UHFFFAOYSA-N 440.513 2.259 30 10 IEEE CCOc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)c1 1084314162 JZXZUNGIMYCTIY-UHFFFAOYSA-N 444.521 2.223 30 10 IEEE CC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCC(=O)NC(C)C)[n+]2cc(O)ccc2C)C=C1 1115964288 PFTPMOOCCXXJMH-UHFFFAOYSA-O 443.549 2.084 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)s2)c1 1125189511 WGKKQJRKHJSECG-XDJHFCHBSA-N 441.556 2.217 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1127421198 PWQGLBKLVDWDGQ-ZWKOTPCHSA-N 429.521 2.276 30 10 IEEE O=C(C#Cc1cccs1)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1136190477 GESYMWMIQXQBNB-UHFFFAOYSA-N 431.521 2.420 30 10 IEEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1141459144 UTGGTUZHIRSYGJ-MOPGFXCFSA-N 449.596 2.119 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](CS(C)(=O)=O)C3)C2)C1 1159909044 ONESAZFDXMNNGM-CLIJALBYSA-N 439.578 2.056 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2nccc3c(S(N)(=O)=O)cccc23)C1 1163652604 VMUXWAOODZGZTD-QGZVFWFLSA-N 435.509 2.105 30 10 IEEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C[C@@H](O)c1cccc(C#N)c1 1171841379 OCWYHVKZIZOCOK-ZACQAIPSSA-N 441.450 2.445 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 1174783764 UYCNHEGPCVSSNU-RTBURBONSA-N 447.557 2.212 30 10 IEEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c1 1196963289 ZEQWMSIOOTXJNG-UNMCSNQZSA-N 446.617 2.133 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286335979 GMCQTGGBSVXXGC-QHCPKHFHSA-N 425.508 2.441 30 10 IEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NCCOC)CC1 1286338671 FIEUHERWGCZNAA-UHFFFAOYSA-N 440.504 2.246 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1286369110 CUVHGRMOKNCOPR-UHFFFAOYSA-N 435.532 2.078 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286398558 LBELYXSCFOGHGI-VQTJNVASSA-N 449.621 2.021 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CCCO 1286420474 HGZKKZCGNXKHQW-NRFANRHFSA-N 436.516 2.163 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCOc1cccc(C(F)(F)F)n1 1286459975 XYKOUGCCQYDAIB-UHFFFAOYSA-N 449.437 2.257 30 10 IEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286506809 OCNOXODVAODHLQ-IBGZPJMESA-N 437.573 2.132 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286536505 PQXQIIDFFOGSLD-VKJFTORMSA-N 445.358 2.295 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286606325 MMHLNPGBDGTING-DNVCBOLYSA-N 445.486 2.352 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286680838 NNCSAZROYBKZTE-HXUWFJFHSA-N 429.613 2.087 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOCC2(CCC2)C1 1286783237 HVILKQYFSRSCFU-UHFFFAOYSA-N 441.532 2.271 30 10 IEEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](SCC)C2)nnc1[C@@]1(OCC)CCOC1 1286793066 QIPLJZFXKBYLAS-DYESRHJHSA-N 437.610 2.344 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2)C1 1286810753 VJAHWEZEGLHWLD-UYAOXDASSA-N 446.573 2.213 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(c2ccccc2)CC1 1286818532 KCRBFKGJDLJDPT-UHFFFAOYSA-N 441.557 2.362 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2csc(-c3ccc(Br)cc3)n2)C1=O 1287279550 UCHHMRCXRNVLOL-UHFFFAOYSA-N 449.286 2.488 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1288517069 IENRWRSCMODIQJ-KGLIPLIRSA-N 443.458 2.355 30 10 IEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)Sc1ccccc1 1288672687 AXFMNCSYYVAYNT-IRXDYDNUSA-N 426.546 2.310 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)cc1OC 1296744012 GDYYJMOBXGECQE-FQEVSTJZSA-N 426.456 2.086 30 10 IEEE CC[S@@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297818382 QFZMILYBGVHKCD-AZYRPFHASA-N 448.543 2.092 30 10 IEEE CN(CCOCc1ccc(C#N)cc1)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1298755948 ITFJABXIVNMUMC-IBGZPJMESA-N 444.532 2.049 30 10 IEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300361270 DBMLURCIRJLUQD-UXHICEINSA-N 430.597 2.012 30 10 IEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1300381121 OMFCNTOKZIFSKL-SFHVURJKSA-N 440.935 2.086 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1NC(=O)CC1(C)C 1300569214 GLPDQYRWPHNMNP-FQEVSTJZSA-N 433.512 2.094 30 10 IEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300833245 WVKILTGXOOZKIX-CVEARBPZSA-N 427.306 2.440 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300883741 FIYZCXHTGHDNMK-OTWHNJEPSA-N 446.596 2.393 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1301064596 YDJFPWJKSYYWKV-LJQANCHMSA-N 438.580 2.108 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301251770 IANPFKQHVATHAB-CVEARBPZSA-N 432.550 2.165 30 10 IEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301259203 HXMABSKOQIFMRE-DENIHFKCSA-N 430.553 2.117 30 10 IEEE COCCCCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301547528 JXUXBIOIFVIYJD-UHFFFAOYSA-N 426.569 2.288 30 10 IEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1302565497 BOXLCRFWJGTDER-QGPMSJSTSA-N 426.546 2.195 30 10 IEEE Cc1nc(SC(F)(F)F)sc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304272288 QFJOBZCCVUCAEG-TVQRCGJNSA-N 425.479 2.003 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CCCCCO 1305123695 XRIYZNROKPQTBF-GOSISDBHSA-N 432.532 2.484 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)C1 1312469328 KQFWPYNCLJRNNJ-FBAVSBLXSA-N 432.496 2.255 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 1312830151 QFFZJRUCHHGHJV-RTBURBONSA-N 430.505 2.277 30 10 IEEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1314389900 FRRMQXYOLKLQMO-GOSISDBHSA-N 427.528 2.245 30 10 IEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@H](C)C2)cc1 1315536490 GWHNMXLEEYKSSI-GHTZIAJQSA-N 440.548 2.326 30 10 IEEE CON(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1316301788 JUUFFVIUOIBHEO-XUTLUUPISA-N 433.472 2.326 30 10 IEEE CC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ccccc1 1357483801 JTAUNTXFMDASOY-ATJXCDBQSA-N 428.514 2.491 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1cc(CO)nn1 1358973194 IUKZGCNONQLUON-UHFFFAOYSA-N 444.326 2.499 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1cnn(CC)c1 1359017829 TWMPRZRXOSVMOO-UHFFFAOYSA-N 435.507 2.444 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1359043081 GMCJDXZHWLYCAA-VQTJNVASSA-N 449.603 2.426 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2cc(C(F)(F)F)ccn2)CC1 1359045455 HXVDGPPCEWQKHZ-UHFFFAOYSA-N 434.466 2.463 30 10 IEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359078654 KCNNYDBLIUARRR-GFCCVEGCSA-N 435.282 2.429 30 10 IEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1359231598 AGMHSKSUFSOSTC-OAHLLOKOSA-N 438.525 2.119 30 10 IEEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359237904 RJTFZTHKSOWRTQ-BQFCYCMXSA-N 441.536 2.382 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1359326196 VAHKKEPGLODWDS-IBGZPJMESA-N 434.504 2.179 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359328435 DGEFIMZDOXCESP-CQSZACIVSA-N 434.440 2.215 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1Cc1ccc(C#N)o1 1360655313 FPAGGELMJIJKMR-ZDUSSCGKSA-N 432.481 2.177 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 1441566157 PICGIZQNQSORLO-UHFFFAOYSA-N 446.596 2.405 30 10 IEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 1455022167 LZXHVENFHXBNOP-UHFFFAOYSA-N 442.541 2.072 30 10 IEEE C#CCN1CCC(NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1455939011 ADZJZGGMKDKIKK-HXUWFJFHSA-N 440.544 2.292 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1460071029 KDGPXAVNVZDCGA-QLFBSQMISA-N 446.470 2.443 30 10 IEEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CCO2)cc1 1464144906 HRFKTFOWYRBXHN-QGZVFWFLSA-N 440.930 2.377 30 10 IEEE C#CCNC(=O)CN1CCCN(C(=O)c2sc(-c3ccc(C)cc3F)nc2C)CC1 1464844465 IGIHDHACRKIZBI-UHFFFAOYSA-N 428.533 2.463 30 10 IEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)c(=O)n1C 1492201845 ZIMZVPORKHPGNZ-ROUUACIJSA-N 448.527 2.398 30 10 IEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(OC(C)C)nc1 1499140700 GVKHSKODFYBTAG-UHFFFAOYSA-N 449.563 2.311 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCSC1(C)C 1503621812 IYXQJXZBPVHLNB-QGZVFWFLSA-N 448.618 2.334 30 10 IEEE COc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)ccc1C 1504100032 HWUROMKSRFMATM-AUSIDOKSSA-N 441.532 2.413 30 10 IEEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1504647011 GXEQATSUCOSIQX-UHFFFAOYSA-N 441.557 2.424 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1 1507512934 HENCJHZNKSCBRN-AWEZNQCLSA-N 436.438 2.356 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1507630691 FTSLEGJWAGGQJI-CMKODMSKSA-N 445.589 2.351 30 10 IEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccs1)N(C)C 1507642335 SKDMDFUHUZXAJX-GCJKJVERSA-N 427.574 2.367 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507658823 HELCIDFXSFLSEH-SFHVURJKSA-N 442.564 2.232 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(C)(F)F 1507710206 LKPQBKBUFRNGBB-UHFFFAOYSA-N 430.459 2.323 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1507741351 QDALCJMQGWVSNF-YCRNBWNJSA-N 429.565 2.443 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507747877 JGKMZGDXIIPOHB-QFIPXVFZSA-N 449.628 2.399 30 10 IEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507844501 KXTPOUAVHVZLDH-WMZOPIPTSA-N 444.532 2.446 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1 1507972192 HAXNJUDHYUXEGE-UHFFFAOYSA-N 449.968 2.368 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCOC1 1508135515 IYUOZUHNTLNJNG-AWEZNQCLSA-N 425.942 2.067 30 10 IEEE COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1518272436 HFVTYJUGGZOFSO-FUHWJXTLSA-N 443.504 2.323 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCC34CCOCC4)CC2)cc1 1535582987 NGRNLJGXJNMDFM-IBGZPJMESA-N 431.558 2.282 30 10 IEEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1538889963 HMESLJHGGOKOCB-RXVVDRJESA-N 433.574 2.404 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCS1(=O)=O 1538992258 NWRSXQLBAKAUJV-RDJZCZTQSA-N 432.546 2.388 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539226008 SCMICGQQLWLOPG-ZWKOTPCHSA-N 449.527 2.326 30 10 IEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1539337588 LJCYUAAENHPVOU-OAQYLSRUSA-N 449.603 2.184 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCn2ccnc2C)CC1 1539454670 XPVVPHXTZWWBNU-UHFFFAOYSA-N 438.605 2.374 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1540195836 JFRULJWAKJDUQU-UHFFFAOYSA-N 435.532 2.259 30 10 IEEE C=CCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861068 AHGAIRAATASXDO-JTSKRJEESA-N 445.568 2.333 30 10 IEEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1542224953 XMBJBVZDGMJNOG-CVEARBPZSA-N 433.582 2.049 30 10 IEEE CCCCCCCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1544728270 LGKDIXQXEONMRM-QZTJIDSGSA-N 436.640 2.034 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCN1CCOC 1546725463 AMGXVYRIHUHMRT-NRFANRHFSA-N 434.548 2.146 30 10 IEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccncc1Cl 1554317123 ZQUFZLPPVYZJIP-UHFFFAOYSA-N 430.921 2.394 30 10 IEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)c(OC)c1 1554873560 VQUIJZJMKPSQNY-OAHLLOKOSA-N 437.447 2.363 30 10 IEEE COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@@H]1CC[C@H](C)C1 1555536921 AMFCPMNCHCRDNY-GVDBMIGSSA-N 447.561 2.335 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(C(=O)N(C)C)CCCC1 1555727813 FPAKDNNSXSDCKQ-SQNIBIBYSA-N 432.569 2.389 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@H]3C)n1 1561531609 MSWCTTBSHFLACK-QGZVFWFLSA-N 444.557 2.214 30 10 IEEE CCOC(=O)CS[C@H](CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C(F)(F)F 1565253305 KCPBCVOMEVWNCY-RNFRBKRXSA-N 436.321 2.071 30 10 IEEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](c1ccccc1)c1nc[nH]n1 1570180439 MOQVAXDFFBOIRA-ICSRJNTNSA-N 443.467 2.129 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C#N)C3CCCC3)c2)CC1 1583396035 VNEDWMSIAXMJGZ-LJQANCHMSA-N 438.981 2.478 30 10 IEEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c(C)c1 1583812443 XFMVSRDRBQUMLQ-FQEVSTJZSA-N 429.542 2.344 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1587585552 BGTMDXZCDPWXKJ-HNNXBMFYSA-N 446.349 2.414 30 10 IEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1587712592 XKNFIVHLLLMHCM-UHFFFAOYSA-N 427.505 2.053 30 10 IEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1noc(CC)n1 1587926632 BIDWRVVLTHSNJH-UHFFFAOYSA-N 426.477 2.228 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1588045581 MXTBNHQGDKBGRB-QGZVFWFLSA-N 425.489 2.154 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCOC(C)C 1588124609 OQRHEKLBDNUUCT-UHFFFAOYSA-N 432.528 2.470 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1593741863 ZDEOMARSKSZJJS-SFHVURJKSA-N 430.578 2.206 30 10 IEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1593884156 CZRYPXGDHGDBKC-KBMXLJTQSA-N 431.990 2.378 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCOC2)C1 1595467120 QGTZZWQJMQNJSM-QHCPKHFHSA-N 438.532 2.066 30 10 IEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1611527486 HVCBZFYROTWHAS-ROUUACIJSA-N 430.505 2.100 30 10 IEEE Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)no1 1611945104 DNZKPXHDVYJCFG-FQEVSTJZSA-N 438.488 2.467 30 10 IEEE CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1614980689 DOFVKTMUSAURKI-UXHICEINSA-N 449.559 2.086 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C(C)C 1616485136 COEAXZGQQZYWPF-GOSISDBHSA-N 428.537 2.325 30 10 IEEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1618043214 MIMQZPMFWTXEDS-SXLOBPIMSA-N 434.500 2.024 30 10 IEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C#N)o2)CCO1 1618693990 PSFSIZMEBZRFJB-KRWDZBQOSA-N 426.864 2.063 30 10 IEEE COC(=O)[C@]1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 1620432468 DNNXKFRTLUJHKC-DEOSSOPVSA-N 436.512 2.430 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2COC(=O)N(CC)CC)cc1 1623510144 XOZMFWXAGFLQQU-SFHVURJKSA-N 435.546 2.071 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)CCC)CC1 1624384968 RZLRHLVKWUVNFP-OAHLLOKOSA-N 437.990 2.343 30 10 IEEE Cc1cc(NC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)n(CCC#N)n1 1625336772 ARWBICARSYQOHS-UHFFFAOYSA-N 440.529 2.472 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 1626290546 DCVIUBYAUJSDOX-INIZCTEOSA-N 448.566 2.225 30 10 IEEE CN(C)CCn1c(O)nc2ccc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc21 1630448504 UBROLMXSGAKXNA-UHFFFAOYSA-N 448.527 2.389 30 10 IEEE CCOC(=O)CON=C(C(=O)N1CCc2cc(C)cc(Br)c2C1)c1cc[nH]n1 1631998629 YPXLYJOUWPZMER-UHFFFAOYSA-N 449.305 2.349 30 10 IEEE C=CCN(C(=O)c1cc(S(=O)(=O)CC)cnc1O)[C@@H](Cc1ccccc1)C(=O)OCC 1632981318 ZXUZGUQFOUVBGY-IBGZPJMESA-N 446.525 2.383 30 10 IEEE C#CCN(C(=O)CCNS(=O)(=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814204 NCOYAVLHQMKLRY-UHFFFAOYSA-N 449.573 2.216 30 10 IEEE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N[C@H]1CCN(O)C1=O 1637458374 GSYYLUSDSLDOKT-HNNXBMFYSA-N 447.904 2.438 30 10 IEEE CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1638906647 ZEIJEEGIZKJUER-LJQANCHMSA-N 427.530 2.109 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nc(SC)ncc2I)n1 1639867666 AEYFTJYVYVMFMT-UHFFFAOYSA-N 443.314 2.286 30 10 IEEE C=CC1(CC(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)CN(C(=O)OC(C)(C)C)C1 1640782267 UNROEQBCRMPUJD-QFIPXVFZSA-N 434.537 2.341 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)OC2=O 1644967020 WHWKSLJKCLWCHO-SFHVURJKSA-N 442.516 2.419 30 10 IEEE N#Cc1c(N)sc2c1CCN(CC(=O)NC(=O)Nc1ccc3c(c1)OCCCO3)C2 1648528542 ALCFLOKDYLLHRA-UHFFFAOYSA-N 427.486 2.070 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1 1651059460 BAGAYMRICXTEFJ-GOSISDBHSA-N 449.573 2.460 30 10 IEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)oc1Br)C(=O)OCC 1665498002 WPNMSAROCCDDEE-QMMMGPOBSA-N 444.687 2.181 30 10 IEEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1671583075 XQIKDMMSCVMXTG-LEWJYISDSA-N 439.560 2.338 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1689928446 OKHPSUAWANDQNV-IBGZPJMESA-N 438.507 2.134 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1689930171 LYJNHHRTCDPLNZ-LEWJYISDSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689985939 FNIUUUUIIZEQNU-MRXNPFEDSA-N 427.555 2.385 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCS2)n1 1690109209 KGZBLYBODKTOPP-MJGOQNOKSA-N 430.578 2.160 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(F)ccc2F)CC1 1690146542 QDBDZQMKVSUKLJ-QGZVFWFLSA-N 443.498 2.464 30 10 IEEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690332551 DQHPBKFJLYOEES-UHFFFAOYSA-N 449.342 2.278 30 10 IEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1690620031 MSPIBLSYKKOTRF-UHFFFAOYSA-N 444.536 2.094 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC=C(COC)CC1 1690717895 UQXDLWUOXVLLIE-UHFFFAOYSA-N 432.546 2.337 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690752482 JRXZMBRRFBCELN-RDGPPVDQSA-N 438.594 2.306 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCOCC2)CCOC1 1692583153 NJZWQSIQPBKEEV-GOTSBHOMSA-N 446.596 2.171 30 10 IEEE Cc1c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)cnn1C 1692937420 FNIMXQQDIGMFFU-QGZVFWFLSA-N 429.431 2.366 30 10 IEEE CC[C@H](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1693972626 VEJFUVLDVKTNDV-DFQSSKMNSA-N 439.564 2.436 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1CCN(C(=O)OC)CC1 1698238545 DXXRPBJNNMTKPK-OALUTQOASA-N 446.552 2.220 30 10 IEEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCC(=O)NC2CCCCC2)CCO1 1698492339 DZIHPCFXJUPVGJ-GOSISDBHSA-N 428.562 2.498 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1705533838 RXSLPDZMMQKREO-QAPCUYQASA-N 429.546 2.244 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705615273 NNRXCFVNDCDMPS-GOSISDBHSA-N 436.482 2.377 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1705621993 UJWPSXVSMVMMCI-WMZHIEFXSA-N 438.532 2.217 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN2CCC[C@H]2C)CC1 1705650297 ORXBKYVBVZUJFJ-LJQANCHMSA-N 426.609 2.461 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1705843406 DRUNFPUKWCJQCZ-BHIYHBOVSA-N 449.552 2.491 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705871869 AUOJBYRPSZKBNX-IEBWSBKVSA-N 443.577 2.118 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705947625 RZFZYHDFNKFIMT-KRWDZBQOSA-N 427.534 2.452 30 10 IEEE CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N(C)C 1706367457 HSTACEHOSFAJAV-TYPHKJRUSA-N 429.613 2.325 30 10 IEEE Cc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1707672901 HFDYGXSJDYVKHZ-LSDHQDQOSA-N 444.499 2.206 30 10 IEEE CN1CC[C@@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@](C)(C#N)C2)C1 1711276274 RLGFYFDQNCLITE-YADHBBJMSA-N 430.503 2.344 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1csc(CC)n1 1722350200 PRWOIMDZGUKUQR-UHFFFAOYSA-N 429.575 2.375 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)c2ccco2)CC1 1722439090 NYGOFYUMQQLTRC-XMMPIXPASA-N 435.528 2.133 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1722444875 HEURPPFJENASAJ-CTNGQTDRSA-N 436.560 2.367 30 10 IEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722459676 OXHPIWRDQXACJO-JKSUJKDBSA-N 444.573 2.418 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCCN1CCC[C@@H]1CO 1722469270 XVABJNTUFSZDLU-HUVFLSCGSA-N 445.608 2.159 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722507932 QNBOBTDEFVHDAW-PKOBYXMFSA-N 437.610 2.435 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)CC1 1722581261 ISGIEDZIDHNXBO-JKSUJKDBSA-N 428.649 2.431 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCCC)CC1 1722693818 AZDIVJUEBBPVQS-UHFFFAOYSA-N 428.537 2.281 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1722700539 LSKXDLFJWUOVCF-HXUWFJFHSA-N 445.571 2.277 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1 1722707774 YUEAUIZDBPQPPG-GOSISDBHSA-N 432.546 2.020 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC=CCO1 1722981803 YAGCORFOTFSZSA-BZSNNMDCSA-N 444.536 2.424 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)C1 1724014302 AMZDFXGPAFHTPQ-RTWAWAEBSA-N 444.561 2.205 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1724279703 FYGQKRHJWPSZDM-DYESRHJHSA-N 429.546 2.071 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCCO)C1 1731178122 GHTCXXYJNCPBDY-HXUWFJFHSA-N 434.903 2.466 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccnc(-n3cccn3)c2)c1 1740561398 DXLXQZHMWFOPFW-UHFFFAOYSA-N 426.484 2.272 30 10 IEEE C#CCN(c1nnc(CC)n1CCCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1740624593 IKPHTNRXZROSFP-MRXNPFEDSA-N 447.630 2.435 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740636260 WYCUOOQKBPCCPA-DVECYGJZSA-N 436.512 2.373 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(=O)OC)CC1 1740681885 FKONOSGDQOHFTR-UHFFFAOYSA-N 436.516 2.381 30 10 IEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1740698723 MNKLKDUGMKTXPA-UHFFFAOYSA-N 441.601 2.240 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1740704251 MLDUUSTXJVAMOV-XMSQKQJNSA-N 446.555 2.455 30 10 IEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740722133 AGXQSZKHKWPAEB-QGZVFWFLSA-N 431.522 2.442 30 10 IEEE C=C(Cl)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740816528 HHWUAKRLSAYBQU-HXUWFJFHSA-N 438.960 2.067 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)CC1 1740825456 OMJNUBCFQKXZLR-HNNXBMFYSA-N 437.953 2.464 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1740957566 SDLBYZVXPVJRLB-UHFFFAOYSA-N 446.559 2.138 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740962818 PORZGVAPVXAVKG-OAQYLSRUSA-N 431.562 2.007 30 10 IEEE Cc1n[nH]cc1CCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1742049493 DWAPQWIQVOPHGR-MRXNPFEDSA-N 434.552 2.443 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1742243162 CXXZFZAJNHETEU-YTQUADARSA-N 426.521 2.426 30 10 IEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OC)C2)CC1 1746433772 HQHBKGXYOWQDKB-DENIHFKCSA-N 437.592 2.458 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1snnc1C 1748948461 NYDHFZZFAXYRJE-UHFFFAOYSA-N 439.545 2.441 30 10 IEEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCCS1(=O)=O 1749075833 IDWCPRSSQOTSLV-DLBZAZTESA-N 447.561 2.429 30 10 IEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1749198935 XMNTXKASUSUIHR-UHFFFAOYSA-N 425.581 2.221 30 10 IEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749455573 ZGVMYVVEIYZRSJ-UHFFFAOYSA-N 433.516 2.489 30 10 IEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1749465630 GUUKLUGIBNLEHX-QHCPKHFHSA-N 442.564 2.221 30 10 IEEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1NC(=O)CC1(C)C 1749824719 NJGNGXCQJUVFDY-QGZVFWFLSA-N 441.492 2.134 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1750378852 NWVDNNMNPMNEJE-DYESRHJHSA-N 449.481 2.062 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cnnn2)CCO1 1750387584 WINAQROQIUTQLM-ZDUSSCGKSA-N 434.291 2.057 30 10 IEEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1750451371 GRKHJMUPWPDLCK-SFTDATJTSA-N 438.576 2.309 30 10 IEEE Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1751558807 KKJKGPHXYSVHCO-UHFFFAOYSA-N 429.502 2.159 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188902 QUQLOVLLTOUNTD-MOPGFXCFSA-N 432.521 2.334 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1760191894 AXUFYDZARZSDEK-DLBZAZTESA-N 426.608 2.290 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CC=CCC1 1760197526 ZNTOSMXCMBNKQC-UHFFFAOYSA-N 435.528 2.306 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1760241457 AEABIUGQMVBLAI-IBGZPJMESA-N 445.564 2.055 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2cccc(Cl)c2)CC1 1760259971 JHMXHEXVCJJEIU-UHFFFAOYSA-N 425.924 2.166 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1760261125 LPNWYPSYJDXCJT-NFBKMPQASA-N 425.581 2.243 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2oc(CC)nc2C)CC1 1760270011 RQABBAWGKFPBAV-GOSISDBHSA-N 440.548 2.045 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2cccs2)CC1 1760273282 NQCVWWPLPWZAPU-VGSWGCGISA-N 443.573 2.065 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760278704 DQEIBZMYUXKJQV-GOSISDBHSA-N 425.562 2.060 30 10 IEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760442919 XPJBEAPUJVWAKX-UHFFFAOYSA-N 444.561 2.213 30 10 IEEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1760471491 XAUVJXAFOZEEJP-NQIIRXRSSA-N 438.594 2.441 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1760511957 SBOHKZWFDFCALA-QGZVFWFLSA-N 438.536 2.253 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1760525704 NXUOAFOEIIXHFK-OAQYLSRUSA-N 432.528 2.014 30 10 IEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1760662580 DFGDWROCDOEZSA-UHFFFAOYSA-N 432.532 2.374 30 10 IEEE CC(C)NC1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1761266102 KHMWSDKQSKXLAT-LNVKXUELSA-N 449.559 2.438 30 10 IEEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1762802395 GRTWSWDZLBHUJH-ORWMALAUSA-N 443.573 2.381 30 10 IEEE CCCc1nc(C)c(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)o1 1763938701 ZDUUOQCJFDBPKG-HTAPYJJXSA-N 444.536 2.345 30 10 IEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1766867864 FSENWCPHRJLNJL-RTBURBONSA-N 438.532 2.070 30 10 IEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1768130441 AAEBSFRPRUXXHL-MJGOQNOKSA-N 440.504 2.041 30 10 IEEE COCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1770166259 UJTMCNQIJHZXIZ-FQEVSTJZSA-N 432.550 2.063 30 10 IEEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC2CC2)CC1 1770740377 FJHRJTPMQZYVRL-UHFFFAOYSA-N 432.326 2.302 30 10 IEEE Cn1c(=O)ccn(CC2CCN(C(=O)c3nccc(-c4ccccc4)c3C#N)CC2)c1=O 1852777328 FCKISAJWUALCCF-UHFFFAOYSA-N 429.480 2.033 30 10 IEEE CCc1c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nnn1-c1cccc(F)c1 1852902083 CKYRVHIMNDZEHD-UHFFFAOYSA-N 449.490 2.214 30 10 IEEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855824218 KGBOICKCILITSS-UYAOXDASSA-N 437.606 2.139 30 10 IEEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN([C@H](C)CCC#N)[C@@H](C)C2=O)cc1 1856281509 BFAHHPPDUAYSAI-SJORKVTESA-N 435.546 2.001 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H](F)CC3CC4(CCC4)C3)C(=O)O2)CC1 1856671494 DYCLRAQWARQODH-SJORKVTESA-N 441.525 2.208 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2C(=O)O)cc1 1862691355 LCCMZNQKQOLHRD-LJQANCHMSA-N 438.436 2.108 30 10 IEEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccccc1)N1CCCC1 1869931892 LDFLZVVSFWWBHS-WOJBJXKFSA-N 440.569 2.457 30 10 IEEE CN1CCN(c2ccc(NC(=O)Cc3nonc3OCc3ccc(C#N)cc3)cc2)CC1 1872664624 JNCOXURTQNPZNE-UHFFFAOYSA-N 432.484 2.453 30 10 IEEE C#C[C@H](C)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883387527 VACYDAQYBJXTEJ-VBKZILBWSA-N 427.478 2.415 30 10 IEEE CC(C)(C#CC(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1911218680 PDLYVVKZJCCSEM-ARFHVFGLSA-N 439.553 2.074 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1984913484 QNGNRZXHOBHTDX-HRCADAONSA-N 427.542 2.190 30 10 IEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013642468 IHPIFVMUNZQVBL-JKSUJKDBSA-N 439.553 2.429 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCCc2nnc(Br)n2C)C1 2128781695 SIUHTCKFGNXICF-UHFFFAOYSA-N 428.331 2.097 30 10 IEEE C[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247777398 MLTAYZSISAJWKS-OCCSQVGLSA-N 437.371 2.428 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]21 2247839951 FRPDLQCSHLZMTP-JJLQDPRZSA-N 435.355 2.037 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)B1OC(C)(C)C(C)(C)O1 2247901399 KCJAEKQDMWWOLI-LSDHHAIUSA-N 448.366 2.441 30 10 IEEE C=C(CS(=O)(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21)B1OC(C)(C)C(C)(C)O1 2247963152 ULAPNAHBWPBTCQ-BZUAXINKSA-N 442.387 2.491 30 10 IEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255342481 XAJUKESGMDJVKX-CVEARBPZSA-N 433.358 2.309 30 10 IEEE Cc1c(C(=O)NCCCN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255528941 GASPXZGNILCKSK-UHFFFAOYSA-N 436.362 2.015 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255706091 DPJSIZRNFAENEN-MUJYYYPQSA-N 432.326 2.422 30 10 IEEE C=C[C@]1(CO)COCCN1C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256686768 ZXHCRGVJUJNFML-DEOSSOPVSA-N 446.544 2.216 30 10 IEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2259933117 ICVDJOMTVYAGKH-LRTDBIEQSA-N 449.382 2.429 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]2C1 2267144029 QOXYYOWXJOOXKQ-GOEBONIOSA-N 446.357 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267146553 ODTILGSKQLEUGD-OAHLLOKOSA-N 448.373 2.476 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267279908 MHGOBOMXVRHBOV-HNNXBMFYSA-N 446.357 2.247 30 10 IEEE CCn1cc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267492542 TXYLSFNSBBWGBH-GASCZTMLSA-N 446.357 2.036 30 10 IEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267493670 LSQKEVVCWFKDRB-GOSISDBHSA-N 438.381 2.313 30 10 IEEE Cc1nc(NC(=O)[C@]23C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C3)ncc1B1OC(C)(C)C(C)(C)O1 2268650455 PDZROKBPCPKMFW-ZIACGZRISA-N 444.341 2.326 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)CCO2 2272910296 XGJIGZIWHRQIEQ-UHFFFAOYSA-N 449.332 2.346 30 10 IEEE CN(C1CCC2(CC1)OCCO2)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282349590 AVFRALHLHOURHV-UHFFFAOYSA-N 443.396 2.354 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCOC[C@H]3F)cc2Cl)OC1(C)C 2282833084 UXVPTDAHYBPKTE-MNOVXSKESA-N 425.740 2.106 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc(OC)c1O 2331612609 YEPSUNYMJDAOLB-UHFFFAOYSA-N 441.513 2.429 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)n1C 2337191216 WQEOBDILZMGXAL-LSDHHAIUSA-N 448.373 2.061 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cc1F 23790 AXJCJAIPEFBMCS-UHFFFAOYSA-N 449.490 2.043 30 10 IEEE CCCn1c(SCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)n[nH]c1=O 33144165 LLBCRIXUWWQUGQ-CQSZACIVSA-N 444.561 2.443 30 10 IEEE CC(=O)OCC[C@H]1S/C(=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)NC1=O 39843648 PWHCCNSOPSOMDK-CYBMUJFWSA-N 440.528 2.116 30 10 IEEE C=CCNC(=O)c1cc2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2oc1=O 40897306 OYOWFLFXWHSSHT-UHFFFAOYSA-N 446.415 2.301 30 10 IEEE CCCNC(=O)CN1CCN(/C(=N/c2cccc(C(=O)O)c2)NCc2ccccc2)CC1 46021861 OJFGJOBZKPJASS-UHFFFAOYSA-N 437.544 2.306 30 10 IEEE CCOc1ccccc1/C=c1/sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCCO3)c1=O 96930537 XDRDFEGIFIBGHM-SRZZPIQSSA-N 431.473 2.096 30 10 IEEE CCOC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253576752 WFOWDJVXYFUBTP-RGVLZGJSSA-N 428.522 2.466 30 10 IEEE N#Cc1cccnc1OC1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 438616353 DPZHSQULCQABML-RKSMEEQHSA-N 443.573 2.485 30 10 IEEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccc(F)cc2)c1=O 440382120 JWXUKKJAHXGPFL-UHFFFAOYSA-N 425.485 2.215 30 10 IEEE N#Cc1ccc(OCCNC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1 460292784 YQRZQCDSPRJTDE-UHFFFAOYSA-N 437.315 2.431 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccco2)n1C[C@@H]1CCCO1 461136165 UMRYWGDOQYGLGQ-HKUYNNGSSA-N 448.531 2.212 30 10 IEEE CCOC(=O)C1(COC)CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 474658317 ICKSGKRLJWFFSF-LJQANCHMSA-N 442.516 2.055 30 10 IEEE N#CCN1CCC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 479900530 JYTRUJFEUMUOMG-MRXNPFEDSA-N 438.981 2.092 30 10 IEEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 485578206 CMGSDFZJCHOQGR-STQMWFEESA-N 429.502 2.183 30 10 IEEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 507492814 QHHJXPUOHSEIAP-UHFFFAOYSA-N 441.557 2.385 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 510477782 FVTBRZDGAHDTJP-UYAOXDASSA-N 428.514 2.046 30 10 IEEE CCc1c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 514006685 PIADMEYBDHCTCM-MJGOQNOKSA-N 431.496 2.107 30 10 IEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 563781028 XLESDYTXSWPDIY-OALUTQOASA-N 447.561 2.147 30 10 IEEE COc1cc(CNC(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)ccc1C#N 564412733 AOSBYQSJQKXEFY-UHFFFAOYSA-N 437.500 2.285 30 10 IEEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 564783989 DGRCBORNCLIRBN-LJQANCHMSA-N 435.569 2.090 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4COCCO4)n3CCc3ccccc3)CC2)c1 576952266 ZUXUZNMZDMBBBT-OAQYLSRUSA-N 445.527 2.202 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1-c1ccccc1C#N 604000891 GCTPCOPMZZZMMV-UHFFFAOYSA-N 440.528 2.193 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2-c2ccccc2)C1=O 730444819 PXAKEOHXWJZISZ-INIZCTEOSA-N 439.476 2.069 30 10 IEEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CCN1C1CC1 732706904 RKWYXNRLMLREJK-IAGOWNOFSA-N 432.908 2.035 30 10 IEEE C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cc2)C[C@@H](C)O1 742398090 ZODCNPWPSIBUAD-HUUCEWRRSA-N 428.514 2.067 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CCC(=O)N2C)cc1 744144712 VTQFBSYJHIMWLK-RXVVDRJESA-N 441.509 2.290 30 10 IEEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnc(-c3ccccn3)s2)cc1 753141068 GATPQUPIKHUMTP-RMKNXTFCSA-N 429.479 2.464 30 10 IEEE C#CCN(CC#N)C(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757451386 YMBINZDBCZGRNK-NRFANRHFSA-N 431.448 2.354 30 10 IEEE COCC[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757471196 OQDDDQXWAMXMBH-NRFANRHFSA-N 436.464 2.134 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 761058413 XUTHVJBWHTVLQK-WOJBJXKFSA-N 431.945 2.427 30 10 IEEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)cc1 764563220 WNTCFDPOFURZAG-IBGZPJMESA-N 432.484 2.278 30 10 IEEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 776265231 PGGIZGHRSRYFPS-CABCVRRESA-N 429.464 2.116 30 10 IEEE COc1ccccc1C(=O)N1[C@H](C(=O)OCCn2ncc(C#N)c2N)C[C@@H]2CCCC[C@H]21 779206947 VPLZTYORSVDHPY-IPELMVKDSA-N 437.500 2.362 30 10 IEEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2cccc(I)c2)cc1 780215980 XBSATFMCBKBEPF-MRXNPFEDSA-N 436.205 2.378 30 10 IEEE Cc1cc(N2CCC[C@@H](N3CCN(Cc4ccc(O[C@H](C)C#N)cc4)CC3)C2=O)n(C)n1 780789933 NVGIPGRCCSHSPW-DENIHFKCSA-N 436.560 2.333 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 788578032 UFZRHUCPVMXWOS-AXVPLRHPSA-N 447.561 2.024 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 792682595 OHQZWGBOBBQPME-GOEBONIOSA-N 431.518 2.497 30 10 IEEE C=CC[C@]1(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 804693602 XVFROJXDPHQZAD-OXQOHEQNSA-N 429.583 2.263 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2C[C@@H]2C(F)F)c1 807937732 LKEIXWNLIDNNHN-ULQDDVLXSA-N 434.512 2.321 30 10 IEEE C[C@H](CC(=O)N[C@H](c1nccs1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 818313297 NBQMDWGSSFOUTC-NOZJJQNGSA-N 432.449 2.380 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cccc(C)c1 916779244 PSVQIWMMEDBNOZ-QGZVFWFLSA-N 449.554 2.097 30 10 IEEE CC(=NNc1nc(SCC(=O)Nc2nnc(C)s2)n[nH]1)c1ccc2c(c1)OCO2 1084235219 ONYQRNDRKZQDIL-UHFFFAOYSA-N 432.491 2.260 30 10 IEEE C=C(Cl)C[C@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)OCC 1132417988 JVBHJMVNHIMWRE-KRWDZBQOSA-N 428.938 2.350 30 10 IEEE C=C(CCC(=O)OC)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1141356587 PUOMRYSYNSHXBV-MHWRWJLKSA-N 432.454 2.077 30 10 IEEE COc1ccc(COCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1146296900 BQHWVRWVYHUMOU-UHFFFAOYSA-N 432.484 2.217 30 10 IEEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1158369012 VKSQRGZOZMJYKQ-MOHKDSSBSA-N 441.438 2.176 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@](CO)(c3ccccc3)C2)s1 1171069500 IWMDWYACXOXAQT-OAQYLSRUSA-N 434.583 2.308 30 10 IEEE CNS(=O)(=O)c1cc(NC(=O)CN2CCC(Nc3ccccc3C#N)CC2)ccc1C 1174985194 XNBKGGLWKCSESF-UHFFFAOYSA-N 441.557 2.290 30 10 IEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl 1179586988 NEEQEZLJMJZDPB-LBPRGKRZSA-N 436.317 2.496 30 10 IEEE C#CCN(C(=O)NCc1ccc(-n2cncn2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1222771797 KNPUBHRTIFHXNS-UHFFFAOYSA-N 439.520 2.207 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCc2ccc3c(c2)OCCCO3)C1 1225937960 NIXRNMJWZVDFRF-IRXDYDNUSA-N 430.505 2.449 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1286360689 VTANTGQISADQMT-XMMPIXPASA-N 437.544 2.306 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1286484738 NZBNAWMKMFPAKR-CYFREDJKSA-N 436.560 2.281 30 10 IEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F)C1CC1 1286736186 BXDLRJORCBOROI-CQSZACIVSA-N 437.488 2.108 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1286970868 YEJIISKUPQQFSE-JKSUJKDBSA-N 435.525 2.384 30 10 IEEE C=CCCCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1289544776 ZTGUQOUGCAKQHI-UHFFFAOYSA-N 425.526 2.107 30 10 IEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1)OC 1291411164 HFOYASXLNFHMRJ-PXNSSMCTSA-N 440.548 2.173 30 10 IEEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCSC)CCN2C1=O 1295890887 RKELEKLGVDDCFN-KRWDZBQOSA-N 439.545 2.043 30 10 IEEE COC(OC)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1299729007 WQNGGTGVDJACQB-CRAIPNDOSA-N 447.561 2.116 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1300553779 SAVJXGTWUXNFGC-OTWHNJEPSA-N 445.564 2.378 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1 1300564598 YQHKMNSFRLGYNO-UHFFFAOYSA-N 429.572 2.307 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CCCCC1 1300665632 MHGPFLPUKIEWEQ-NRFANRHFSA-N 445.608 2.293 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)Cc2ccccc2)CC1 1300683058 LBYVMJPKJNLQMB-LJQANCHMSA-N 429.590 2.162 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(F)c2F)CC1 1300685113 GMAIFUXOTULGBS-HSZRJFAPSA-N 445.514 2.206 30 10 IEEE CCN(CCCn1c(-c2ccccc2C)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1313797816 DMANEKQVFFWSQL-HXUWFJFHSA-N 434.541 2.367 30 10 IEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCC[C@@H]1C 1313824504 DWVDPGUOMNTCIE-HRAATJIYSA-N 431.562 2.239 30 10 IEEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](OC)C2)CC1 1313953542 HZYGDQHYJPMZBT-JOCHJYFZSA-N 437.592 2.460 30 10 IEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1315900826 FJPNGWGNYIOHAB-GOSISDBHSA-N 426.521 2.116 30 10 IEEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1316009691 RXDMWUNRLFYCMX-IBGZPJMESA-N 438.532 2.356 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1358934080 OWONSJULTHXIQC-LJQANCHMSA-N 433.516 2.182 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358962777 WSQWNBZDIXSIRL-SFTDATJTSA-N 441.601 2.475 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCNc2ccccn2)CC1 1359037424 JBKDXPRTNDQBJU-UHFFFAOYSA-N 436.589 2.286 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1359064375 RFMXQKGLCZPLEL-HYFFOGBASA-N 443.573 2.447 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@@](=O)CC)C1 1359323442 OZPKEFPLDJTUDB-JJCDCTGGSA-N 428.562 2.067 30 10 IEEE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)c(OC)c1 1438186589 RYIZKZZZYDTPBJ-SFHVURJKSA-N 434.496 2.277 30 10 IEEE C#CCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)cn1 1448874806 KOYOYFXUMXJMDZ-SFHVURJKSA-N 444.333 2.269 30 10 IEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C2CC2)C1 1452540563 LWDQSPVSZHKOBY-UHFFFAOYSA-N 448.545 2.102 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)c1 1460602184 GENYIIHFXDHKAH-UHFFFAOYSA-N 444.532 2.010 30 10 IEEE C#C[C@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1461712328 NJFYIRZIVZHPKL-GUYCJALGSA-N 428.348 2.404 30 10 IEEE CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s1 1462214683 ICFYNIRIENZEHG-KRWDZBQOSA-N 430.552 2.420 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C1CCOCC1 1464127266 WZJAFRKRFXHLLP-QGZVFWFLSA-N 448.994 2.077 30 10 IEEE N#Cc1c(F)cc(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cc1F 1464227465 BFVAULKWFPFTOI-INIZCTEOSA-N 429.423 2.440 30 10 IEEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1469865157 RPICQTYJGLGFNB-ZOJXTTQQSA-N 439.438 2.353 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)[C@H]2C1 1470346232 CLMQOZPAUTVPQQ-MNZLEMJZSA-N 429.496 2.394 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#C[C@H]2CCCCO2)cc1 1472319618 QAXZLBMMRBDIGH-CTNGQTDRSA-N 432.542 2.121 30 10 IEEE N#Cc1cc(S(=O)(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)ccc1C(F)(F)F 1475478874 CZHCGKOQCSWJPC-OAHLLOKOSA-N 449.520 2.405 30 10 IEEE N#Cc1ncccc1S(=O)(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1475506218 DDPKZAWJJMRNPB-CQSZACIVSA-N 430.452 2.155 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1478655003 MNEFIKDLFISTQS-CABCVRRESA-N 434.345 2.353 30 10 IEEE CCc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1C[C@@H](F)COC 1499153193 LTBJVZPAQCZWLY-CQSZACIVSA-N 429.456 2.271 30 10 IEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCSC)C1 1502471635 DYEIOOQLPAZOTJ-GOSISDBHSA-N 448.618 2.478 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC(C)C)CC1 1504532976 UBBRCNZAYBTCLB-UHFFFAOYSA-N 440.548 2.317 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1507517462 QLSYRSODDBHAJN-ZIAGYGMSSA-N 425.942 2.079 30 10 IEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507595346 OKVUGYOIIMAFEL-JOCHJYFZSA-N 425.489 2.310 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1507635516 WNKUJKVHQFJOIZ-HXUWFJFHSA-N 430.574 2.231 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccco1)N(C)C 1507667588 PDJHXLCJBSSQRF-GOSISDBHSA-N 434.500 2.365 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)OC 1507672063 UCAVUVIPTADPKI-OALUTQOASA-N 445.564 2.474 30 10 IEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)CCN1CCOCC1 1507754019 UEJDQCMQJOVZGM-UHFFFAOYSA-N 438.601 2.416 30 10 IEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507868530 ALUXFWVBILNFIH-MRXNPFEDSA-N 449.968 2.153 30 10 IEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507871126 PUVQQIAIUYVEPO-UHFFFAOYSA-N 444.923 2.439 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1508010571 ADBLPYMJSJDOQA-INIZCTEOSA-N 449.602 2.089 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1508096726 COAMYMWQVSNJDF-LJQANCHMSA-N 439.516 2.237 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)nn(C)c2C)C1 1508111082 WFRBNPAVLMKAKI-QGZVFWFLSA-N 436.520 2.105 30 10 IEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1508151345 BRSRACVIYPXREU-INIZCTEOSA-N 443.639 2.347 30 10 IEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1509963432 GOCODBCZFFQTCS-GOEBONIOSA-N 449.481 2.401 30 10 IEEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1517094792 PKZUALRMPDZOFP-UHFFFAOYSA-N 440.548 2.099 30 10 IEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2c(C)nn(CC3CC3)c2C)c1 1528411295 CAUIBTWESQATRH-UHFFFAOYSA-N 434.540 2.326 30 10 IEEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(OC)c(C#N)cc3F)C2=O)cc1 1530181713 IIWSRLLPQBYFRO-OAQYLSRUSA-N 426.404 2.120 30 10 IEEE C#CCCCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1539086835 NQFQYDMRNHVNST-HSZRJFAPSA-N 431.581 2.475 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539216462 SGLUKRLNHVUVLZ-DOTOQJQBSA-N 448.618 2.140 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCS(=O)(=O)N(C)C 1539299010 CTQWUVNWHKRREU-HXUWFJFHSA-N 427.574 2.174 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1539344807 KPDHDQPWPZKYHJ-AUSIDOKSSA-N 442.564 2.179 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(I)cc3O)CC2)c1 1540001462 OHOCDZVTDCHPGM-UHFFFAOYSA-N 434.237 2.226 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCCOC2)C1 1540864205 SKSMDYKVZVVRLE-LJQANCHMSA-N 449.353 2.345 30 10 IEEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1541184779 JNHYNAYQCXXVQZ-UYAOXDASSA-N 430.597 2.486 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4ccsc34)CC2)c1 1544056998 GWCBFJCWVNALPM-UHFFFAOYSA-N 440.550 2.451 30 10 IEEE Cn1cc([C@@H]2[C@H](C(=O)Nc3n[nH]c(-c4cccc(C#N)c4)n3)CC(=O)N2C(C)(C)C)cn1 1559046753 RUDGZNAAAFNVFM-SJLPKXTDSA-N 432.488 2.404 30 10 IEEE C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)CC1 1561765118 UVPWGPMWSPUCKE-UHFFFAOYSA-N 430.320 2.083 30 10 IEEE COc1cccc(Cn2ccc3ccc(NC(=O)Cn4cc(C#N)c(O)nc4=O)cc32)c1 1567178612 ARTPBPYEBPQVMU-UHFFFAOYSA-N 429.436 2.471 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1 1569439348 VSZOBSBVJPEUEW-SFHVURJKSA-N 440.443 2.470 30 10 IEEE C#CCN1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 1586494025 QXYNCUDMMUPJKH-UHFFFAOYSA-N 427.526 2.277 30 10 IEEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1587218703 IIOXUINJEKTRAE-UHFFFAOYSA-N 433.555 2.232 30 10 IEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1587922230 WNNOEXHDNBEUQG-HSZRJFAPSA-N 444.532 2.462 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)F)CC1 1588790944 HYXGJDQDJHIPEI-UHFFFAOYSA-N 435.475 2.347 30 10 IEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1589721987 KOJUILONYUYPQS-JOCHJYFZSA-N 427.505 2.406 30 10 IEEE C=C(C)Cn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1593683855 PTPLYYHOZJSLAC-UGKGYDQZSA-N 430.553 2.225 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1594492172 ULKNWMGLMXEJPO-INIZCTEOSA-N 426.521 2.387 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1594961586 CLVXIBGIGXDRAS-RDTXWAMCSA-N 444.479 2.253 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1595534299 GJLUMFCGQBFRKD-OPAMFIHVSA-N 425.489 2.325 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1595556089 NKBKRSQNIJWHOY-INIZCTEOSA-N 428.537 2.241 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1596832539 WHSBDFCBJXKJMZ-SJORKVTESA-N 448.568 2.487 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1Cc1ccc(C#N)o1 1611695299 ZWQRHNMHPNLZHW-XHSDSOJGSA-N 432.550 2.418 30 10 IEEE C[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612768236 YAMQPHUMXNOQQC-SIUCFOQUSA-N 435.532 2.417 30 10 IEEE COc1ccccc1OCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1619450500 WLOVHIPGDQCIKN-OAHLLOKOSA-N 436.472 2.080 30 10 IEEE N#CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1620356641 DWVBAUSNTXVZIR-UHFFFAOYSA-N 433.516 2.196 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C1CCOCC1 1622379638 FJFQHWOBBFLDKY-OAQYLSRUSA-N 449.550 2.469 30 10 IEEE C=C(Cl)C[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OCC 1622449967 GDSGTQNJRRPXTQ-DLBZAZTESA-N 428.938 2.285 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)C)cc1 1625008120 LDQNLFCSSVYIOJ-FQEVSTJZSA-N 446.525 2.149 30 10 IEEE CCOC(=O)CON=C(C(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1cc[nH]n1 1625408285 OTEFDJWJQHGGCA-HKUYNNGSSA-N 441.532 2.378 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1cc[nH]n1 1627962542 BBICNSNMWWGICO-SSEXGKCCSA-N 434.518 2.379 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1632078010 IZKYEWBGNBIOQY-HNNXBMFYSA-N 427.482 2.045 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 1632787448 GPNBNZSUVWAWFW-QGZVFWFLSA-N 445.004 2.425 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)cc1 1633938264 SYPHBOLWLOOVBF-HNNXBMFYSA-N 449.554 2.414 30 10 IEEE C#CCC1(O)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CC1 1643513165 SYKSGXVDPMUMBB-UHFFFAOYSA-N 426.538 2.464 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc1 1645463729 HKQUSNFMAQFOKH-QHCPKHFHSA-N 438.505 2.238 30 10 IEEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)OC 1654634168 NAMQOYVOAZTVKC-QGZVFWFLSA-N 434.901 2.113 30 10 IEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncc(Br)cc3C#N)CC2)cc1 1654946172 UJRIERYRHSWYHY-UHFFFAOYSA-N 449.330 2.429 30 10 IEEE CCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCN(CC(F)(F)F)C1 1659612260 MPKQXTIYKRXKGS-SJORKVTESA-N 443.539 2.415 30 10 IEEE C#CC1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)CC1 1667395339 FVBPUNFVEXWGEY-QGZVFWFLSA-N 433.530 2.137 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 1668748281 HLQODYKPDVIZHJ-NRFANRHFSA-N 444.467 2.376 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1671751477 ZESKCVMBMXOUKP-NRFANRHFSA-N 447.601 2.394 30 10 IEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1689885617 OPIMEXUQBXALOP-JOCHJYFZSA-N 443.555 2.492 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(F)c2)CC1 1690110453 NBVKAGLOHAKDCG-UHFFFAOYSA-N 447.518 2.453 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690239133 RWCDPDLGFHVFHC-DSKINZAPSA-N 430.597 2.137 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690502852 IENVQAUNPDGYJD-MSOLQXFVSA-N 441.532 2.270 30 10 IEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(OC)CCC(C)CC2)CCOC1 1696085970 GHXPDMQEIUKNJR-JLPSEHFJSA-N 433.553 2.254 30 10 IEEE COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698065677 BCLOYMGLGVJAQW-UHFFFAOYSA-N 436.472 2.144 30 10 IEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CC1 1698313281 GEWCFSDSAIGGFZ-LJQANCHMSA-N 442.545 2.027 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1705523785 YUIKINPWEDHCAO-UHFFFAOYSA-N 431.500 2.371 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2ccccc2)C1 1705524259 IIQRECVDAGZJAD-MJGOQNOKSA-N 431.562 2.097 30 10 IEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)NC(C)C 1705542196 AIDUYHCEMRGQEG-GOSISDBHSA-N 433.578 2.432 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cn(CCCC)nc1C 1705547306 CHLIGPBBAWYQJV-UHFFFAOYSA-N 430.520 2.344 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1705570979 TWKMHWJHHQQQNI-WMZOPIPTSA-N 448.614 2.256 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCCC1(C)C 1705580671 NYJSJUMMSVXWGE-GOSISDBHSA-N 440.573 2.126 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)OC)CC1 1705645632 YUVIVMRJLUJTQW-ZDUSSCGKSA-N 449.353 2.036 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2)C1 1705652558 DRQPFTDFKNQRIS-LJQANCHMSA-N 425.558 2.458 30 10 IEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC#C 1705662257 URJBCYWCPNUNKJ-KRWDZBQOSA-N 433.578 2.412 30 10 IEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705907258 FVSKOHXQDMGOHP-HXUWFJFHSA-N 433.560 2.483 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1705914145 HMONLFQRJHNBMW-DEOSSOPVSA-N 449.559 2.455 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC(O)CC1 1706068199 GGNUPVLFDSRURU-INIZCTEOSA-N 427.509 2.296 30 10 IEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C#N)o1 1706752379 GYXPMWCORJHJBY-LLVKDONJSA-N 446.309 2.259 30 10 IEEE Cc1cccc(-c2nnc(N(C)Cc3ccoc3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1707583888 YSTVUWPTNIKCPV-XUTLUUPISA-N 433.472 2.404 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1708337054 GKMBSPMIDRONBZ-MRUHUIDDSA-N 448.593 2.193 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1Cc1ccc(C#N)o1 1708534738 IDEVSWSPUBXGQQ-KRWDZBQOSA-N 427.553 2.295 30 10 IEEE CN(OC1CCCC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1711241387 MHHHQYAFTTUGPH-ZZEZOPTASA-N 425.493 2.120 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1711246972 FLDMNUNJPJFNGH-QGZVFWFLSA-N 448.522 2.165 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1722369066 VCTCBPOMOUSQNW-SFHVURJKSA-N 443.529 2.009 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N(C)C 1722370129 GZSPJAYXYKWJKG-HXUWFJFHSA-N 427.512 2.301 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC(F)(F)F)cc1 1722371344 VZVORKWMSNDEEE-UHFFFAOYSA-N 433.434 2.479 30 10 IEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722526051 PRPXQNXMRYTKED-JOCHJYFZSA-N 439.608 2.071 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722696117 BMEQHQAJIYIMRY-BTYIYWSLSA-N 431.924 2.285 30 10 IEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C1 1722828534 DQZXCVBGXFKPPY-HXUWFJFHSA-N 432.532 2.456 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(F)cc1 1730762407 FZOGZMUAYPELKB-SJLPKXTDSA-N 449.552 2.489 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1cc[nH]n1 1740545655 OPJXTQZMUVTJPA-CYBMUJFWSA-N 442.321 2.319 30 10 IEEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740672801 VGENGOMJLOXYDO-LJQANCHMSA-N 431.548 2.224 30 10 IEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 1740700168 IRCIRXNTZCPOKE-UHFFFAOYSA-N 447.008 2.457 30 10 IEEE C=C(C)COCCn1c(C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1740787281 GBEZNBPCUWGUFD-UHFFFAOYSA-N 427.549 2.469 30 10 IEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740885343 DSELURLKZJOLNG-IKGGRYGDSA-N 448.568 2.171 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(C)s1 1740939541 YFJAELJVEWXLQX-UHFFFAOYSA-N 448.574 2.196 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740961910 MADXXXXDITZMON-IBGZPJMESA-N 449.559 2.427 30 10 IEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCOCC2(CC2)C1 1740963318 HPVIDBQCNIEYOD-UHFFFAOYSA-N 425.533 2.393 30 10 IEEE C=CCOc1ccc(Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1740966888 REIVJCIGACUGGA-HXUWFJFHSA-N 425.533 2.500 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCc2sccc2C1 1741648614 CKSZNABOBNSABK-UHFFFAOYSA-N 427.578 2.276 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1748690540 UOIBWKNKVXUSPB-YFDQIPFUSA-N 433.553 2.047 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 1748805514 SZRDEIFSPQYGQC-NVXWUHKLSA-N 430.530 2.195 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CC=CCC1 1748828290 APPHZXUQWFPVAW-UHFFFAOYSA-N 427.350 2.381 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl 1748888619 ZXDJLQDAPKDGOU-PGRDOPGGSA-N 425.920 2.253 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1748889734 DUFWOSGINYBPNY-NRFANRHFSA-N 440.569 2.228 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCC(=O)N1CCOCC1 1748946553 JSPDSRHFHSYDOC-UHFFFAOYSA-N 425.508 2.258 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1749134088 UKARITKBUKUNCE-NQIIRXRSSA-N 445.589 2.259 30 10 IEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1749240009 RZPFMQYEAWMAMM-UHFFFAOYSA-N 438.532 2.380 30 10 IEEE C=CCNC(=O)Cn1c(N2CCc3ccc(F)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681426 AXGKFCUZIOOMKC-HSZRJFAPSA-N 443.523 2.323 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1749713514 UHAJRWYZPAZOLK-IAGOWNOFSA-N 425.599 2.072 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1750955887 HXOMHNKWNUTLAR-JOCHJYFZSA-N 429.569 2.337 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2cccnc2)c1 1760125291 HFFIARXNPAGQAJ-UHFFFAOYSA-N 440.511 2.373 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1760148270 UMBYMPMVGRKRPA-INIZCTEOSA-N 427.505 2.099 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCN1CCN(CC)CC1 1760288112 QYKFCTZTAXWXJZ-XMMPIXPASA-N 443.640 2.216 30 10 IEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1760410629 LMWAYLNSWJOLEZ-UHFFFAOYSA-N 427.553 2.316 30 10 IEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1760454157 YBCRWNIJTNKNFV-UHFFFAOYSA-N 429.488 2.485 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1760524890 MLHXGUKICSGQQM-UHFFFAOYSA-N 443.523 2.432 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1 1760533232 CTFFEGKIFDEBCN-UHFFFAOYSA-N 435.532 2.079 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCC)C1 1760544886 IYZCFDOVIWSGMY-QGZVFWFLSA-N 438.532 2.493 30 10 IEEE CCOCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1766300211 AANMFPPTKOQLQZ-GOSISDBHSA-N 428.512 2.428 30 10 IEEE Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCCCO 1767495752 GRZSTMQZGKWWDB-UHFFFAOYSA-N 434.548 2.430 30 10 IEEE COC(OC)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1768149739 YDBXSPPOTSVDLY-FQEVSTJZSA-N 434.500 2.332 30 10 IEEE CN(CCCNC(=O)OC(C)(C)C)CCCn1c(C2CC2)nnc1N1CCO[C@@H](C#N)C1 1768898726 WXQZMHJQVWSUOG-SFHVURJKSA-N 447.584 2.121 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1769282920 NACHKEWQQNRKSZ-ROUUACIJSA-N 447.536 2.205 30 10 IEEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769287228 YZPGUHPVWIKTRB-IRXDYDNUSA-N 446.502 2.494 30 10 IEEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCO[C@@H]1C 1769846958 NDDHSUSAZXOBFP-QVKFZJNVSA-N 435.475 2.053 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1 1769897940 LNUFWJQZAZWIMF-UHFFFAOYSA-N 427.896 2.275 30 10 IEEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1769959568 HZBKDJYPWCYRQN-INIZCTEOSA-N 436.520 2.096 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNC(=O)C(C)C 1770177830 LLVDLHNNICSIEL-PMACEKPBSA-N 440.548 2.282 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1771179862 BNOSEWVPTUPFNK-RJCBAWPRSA-N 446.552 2.155 30 10 IEEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 1850543850 BMNVABCRNGGITD-JOCHJYFZSA-N 431.540 2.377 30 10 IEEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4c(C)cccc4C)n3[nH]2)CC1=O 1852330642 JQCUHHDQLNYMTP-IAGOWNOFSA-N 434.500 2.276 30 10 IEEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)c1 1852446401 HHLBZSMZBYPKII-SFTDATJTSA-N 438.528 2.012 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(Br)cc1F 1853187365 XLEYDAIYOXHXDG-SNVBAGLBSA-N 429.315 2.274 30 10 IEEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)CC1CCCC1 1856051250 SWBFTMDLSJULHV-UHFFFAOYSA-N 431.558 2.460 30 10 IEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC(=S)Nc1ccccc1C#N 1858609056 BGJQKIWHCJEITF-UHFFFAOYSA-N 430.511 2.369 30 10 IEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862609669 SAODUOCMSOHYHC-BUXKBTBVSA-N 440.408 2.325 30 10 IEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN(CC)CC)=C(N)Oc2c1c(C)nn2C 1864317399 YTPFRMPPEVJAJA-HXUWFJFHSA-N 439.560 2.446 30 10 IEEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1889726341 KLOJSRHXQNXKIW-HNNXBMFYSA-N 432.011 2.406 30 10 IEEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891143749 OSQMZGLWBJDROE-SJORKVTESA-N 425.514 2.173 30 10 IEEE Cn1cc(I)c(C[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CCO2)n1 1902296670 DXLMUTVOJHJUGR-OAHLLOKOSA-N 432.262 2.097 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC2(O)CC(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1966465197 BOULCPXOJYKQTO-UHFFFAOYSA-N 438.569 2.441 30 10 IEEE CCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2060632617 CWUANHGIUBXNIZ-UHFFFAOYSA-N 432.330 2.361 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2073752378 OWNVRTMOQAWOLN-UZQPLGKSSA-N 436.358 2.443 30 10 IEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2124521391 GGNRUUUOCHNKJN-HOCLYGCPSA-N 449.361 2.466 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2c1ncccc1B1OC(C)(C)C(C)(C)O1 2224097567 MMQMFZKVAOBDNW-DLBZAZTESA-N 431.342 2.205 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](CS)C(=O)O 2229098741 SYKBGAOBLZZFPS-QWHCGFSZSA-N 447.351 2.384 30 10 IEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2244376179 RJCYNCBOJMEKLM-BTYIYWSLSA-N 427.542 2.286 30 10 IEEE C=CCN(CCC(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2244994036 SKIFWHFTFGUFFQ-UHFFFAOYSA-N 427.542 2.288 30 10 IEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413196 SZHDKBCJEKYYOR-GFCCVEGCSA-N 441.359 2.311 30 10 IEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630892 QKFQXECGFCRYKX-UHFFFAOYSA-N 436.362 2.476 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255698757 KMFOYZIRTFALKI-PBHICJAKSA-N 431.342 2.414 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]2C1 2255854685 FPZNXZBTQDGKKN-PEBXRYMYSA-N 431.342 2.443 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)C[C@@H]21 2256720696 HCUVFYMPYXACCZ-IXDOHACOSA-N 434.342 2.152 30 10 IEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267012741 ZISILZPRMBJGRO-HUUCEWRRSA-N 448.373 2.189 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H](N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2267106924 GYAZQJNKCLVLNA-GOSISDBHSA-N 447.385 2.165 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267138936 ZASWZGHBYQXGOQ-GJZGRUSLSA-N 448.373 2.095 30 10 IEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2267495700 PBZDQZBQBMKRJY-MCMMXHMISA-N 447.316 2.259 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267609160 MFGZSUCUMZSCQA-GJZGRUSLSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267611956 DZRBLWITBRLGEU-NVXWUHKLSA-N 443.353 2.462 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2269709492 OGCDMLCEJFHIBY-VQFNDLOPSA-N 443.353 2.284 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339511 DZGNEBYTOKSJEO-GXTWGEPZSA-N 437.371 2.428 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)C1 2312837146 JMVMPRZJIVIALL-RQEBDLRSSA-N 449.548 2.234 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2312862354 YUXOHGJUJFASBI-BARDWOONSA-N 438.330 2.438 30 10 IEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2337202706 NIOCKPVJUJMWPF-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE COc1[nH]c(=NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2339786796 RLEFCEFKMMYXHA-HLLBOEOZSA-N 445.369 2.479 30 10 IEEE N#Cc1cc(S(=O)(=O)NCc2cccc(OCCN3CCOCC3)c2)ccc1Cl 65012032 SFFGXRNYNRBJIO-UHFFFAOYSA-N 435.933 2.401 30 10 IEEE Cc1cc(C)c(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1C 102919742 PFMVEAOPOISSIW-OSSILQDYSA-N 442.537 2.157 30 10 IEEE Cc1cc(Br)c(S(=O)(=O)N[C@@H](/C(N)=N/O)C2CC2)cc1Br 155816993 LJBHUDRJACZKRJ-LLVKDONJSA-N 441.145 2.323 30 10 IEEE C#CCN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCS(=O)(=O)C1 160433579 DUGMUUXGRKYREK-LLVKDONJSA-N 435.137 2.474 30 10 IEEE C=CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 410074564 MFSFFYYZIADQOT-RYUDHWBXSA-N 437.381 2.107 30 10 IEEE C=CCN1CC[C@H](N(C)C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)C1=O 410117191 LMLSAMHVTHAXFP-HNNXBMFYSA-N 429.336 2.020 30 10 IEEE COc1cc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ccc1C#N 431591047 YXSHXZVMIIORLP-UHFFFAOYSA-N 427.482 2.063 30 10 IEEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)CC2)cc1 435812967 BQKDSGWIRBUQJT-UHFFFAOYSA-N 440.481 2.031 30 10 IEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 439754100 GTYZDZSGZXWQBO-ROUUACIJSA-N 439.903 2.777 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460543362 INVAUYRERZYZMW-ZBFHGGJFSA-N 445.593 2.213 30 10 IEEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1 474552221 GGCAZEAZDAYYLO-UHFFFAOYSA-N 448.570 2.460 30 10 IEEE CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCCC1 475552429 MQFYUSMEETWLTR-UHFFFAOYSA-N 425.576 2.165 30 10 IEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(c2nc3ccccc3s2)C1 482808868 LIGREFHWFLXCFK-ZDUSSCGKSA-N 426.523 2.461 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC[C@@H]3COc4ccccc4O3)C2=O)cc1 484632995 BVLYHJUZQSCSQR-MSOLQXFVSA-N 434.452 2.110 30 10 IEEE C=C(C)Cn1c(SCC(=O)NCc2ncccc2S(C)(=O)=O)nnc1-c1ccco1 487694661 UVNUKDPISYDJJN-UHFFFAOYSA-N 447.542 2.321 30 10 IEEE CN(C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1)c1ccccc1 488120244 PUTNIKODTMENTD-HXUWFJFHSA-N 445.544 2.255 30 10 IEEE Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C(=O)N1CCOCC1 489264971 ASYJWNYJDXOOEL-UHFFFAOYSA-N 434.500 2.088 30 10 IEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508474863 WCBWRFZMOOECJI-GJZGRUSLSA-N 440.483 2.275 30 10 IEEE CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccccc1Cn1ccnc1 509271870 WECNNYOZELRPTC-UHFFFAOYSA-N 428.474 2.019 30 10 IEEE C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@@H](C)O1 517754497 ZMVWFXAFNJCDAP-GASCZTMLSA-N 446.495 2.049 30 10 IEEE CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1OCC 523397230 NUHJWEBBWIYFRF-QGZVFWFLSA-N 435.477 2.282 30 10 IEEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(Cc2ccccc2)c1=O 532266196 UYLGDGIGZUMDEQ-UHFFFAOYSA-N 432.549 2.344 30 10 IEEE C=CCNC(=O)CN1CCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 533216305 UXOFSLSESYUSRZ-XMMPIXPASA-N 432.568 2.081 30 10 IEEE Cc1ccc(C(=O)N2CCC(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)cc1 546223469 ZDHIKWCKKFDMMV-UHFFFAOYSA-N 432.528 2.398 30 10 IEEE CCN1CC[C@H]2OCCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)[C@H]2C1 549818649 YIUFQYQNRRSMRV-LEWJYISDSA-N 425.533 2.351 30 10 IEEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)n1 553166178 NRAVHBQOOOAMFE-NJAFHUGGSA-N 426.908 2.393 30 10 IEEE C#CCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586153299 GSJVNMNPRHBCLM-UHFFFAOYSA-N 442.493 2.344 30 10 IEEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1-c1ccccc1C 603798661 BKJYJANWJFFLJY-UHFFFAOYSA-N 447.560 2.090 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 609499415 PNXSCTHECDCCPE-QGZVFWFLSA-N 426.429 2.339 30 10 IEEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)c2F)c1=O 669651545 PBUUGLLNKKITEM-UHFFFAOYSA-N 438.480 2.472 30 10 IEEE COCCCN=c1scc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)n1N=Cc1ccnn1C 727971664 MKAHXQAXWDAIFO-AWEZNQCLSA-N 440.529 2.489 30 10 IEEE CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730138471 MBNCRVSXSYAOMQ-GOSISDBHSA-N 433.578 2.445 30 10 IEEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)c1 733075604 RKKWEAFMIQBRBN-AVRDEDQJSA-N 432.590 2.421 30 10 IEEE C=CCOc1ccc(-c2nn(CN3CCN(CCC(=O)N(C)C)CC3)c(=S)o2)cc1 765078661 URQXBMHVZOTZPF-UHFFFAOYSA-N 431.562 2.491 30 10 IEEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1 765546603 YPZHRBJUMZWQMS-LJQANCHMSA-N 442.589 2.182 30 10 IEEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NO[C@H]2CCN(C3CCOCC3)C2=O)cc1 769843064 VSBAXHXFPRBMOB-SFHVURJKSA-N 432.521 2.128 30 10 IEEE N#Cc1ccsc1N1CC[C@H](OC(=O)c2cnn3cc(Br)cnc23)C1=O 769898273 DGWCOWMYARQUGJ-LBPRGKRZSA-N 432.259 2.387 30 10 IEEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 779196688 IBCRQYZOCNDENP-KRWDZBQOSA-N 430.530 2.361 30 10 IEEE C=CC[C@]1(C(=O)NC2CCN(S(=O)(=O)CC)CC2)CCCN1C(=O)OC(C)(C)C 790253955 LLKSOHUDONODFK-HXUWFJFHSA-N 429.583 2.263 30 10 IEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 800134824 HIYMFWIVHVNGOR-UHFFFAOYSA-N 426.420 2.244 30 10 IEEE CN1C(=C2C(=N)N([C@H]3CCN(C(=O)COc4ccccc4)C3)CC2=O)N(C)c2ccccc21 800793978 UBMRNZNZZOQVHI-KRWDZBQOSA-N 445.523 2.326 30 10 IEEE C#CCN(C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 801516781 DMHKJXBSLQTRBZ-PBHICJAKSA-N 427.364 2.489 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cnn(C)n2)C1=O 807934194 DIDULBYIUHJKHJ-ZDUSSCGKSA-N 427.317 2.390 30 10 IEEE COc1ccc(CN2CCN(C(=O)COc3cccc(C#N)c3)CC2)c(OC)c1OC 916114071 FJWFTWPXDWAGKR-UHFFFAOYSA-N 425.485 2.307 30 10 IEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084237750 UWGQHZXVAYEIQS-UHFFFAOYSA-N 442.461 2.173 30 10 IEEE Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1133570733 PBMRQLZXDLBNMH-OAHLLOKOSA-N 448.405 2.103 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1139658653 SQSIEASXGIIUEA-LSDHHAIUSA-N 435.974 2.049 30 10 IEEE CCOC(=O)CON=C(C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C)c1cc[nH]n1 1147494833 ZPZPPUJWXBTIFF-KRWDZBQOSA-N 432.452 2.211 30 10 IEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)C[C@H](O)c3ccccc3)CC2=O)cc1Cl 1153511605 GGYJHEFTDCCLJB-UWVAXJGDSA-N 427.888 2.165 30 10 IEEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCn3c(S)nc4ccccc4c3=O)C2)nc1 1156247729 QEWPTIYHVZICHL-MRXNPFEDSA-N 434.525 2.445 30 10 IEEE CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)no1 1159490146 MATRYUWNSGIKDZ-UHFFFAOYSA-N 434.456 2.156 30 10 IEEE CN(CCc1cccc(C#N)c1)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 1197114887 JBZCQJICSPZSBD-UHFFFAOYSA-N 440.569 2.262 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2C[C@]3(CO)CCCC[C@]3(CO)C2)n(Cc2ccco2)c1C 1198407311 TVSJOASRRBWFJT-PSWAGMNNSA-N 440.544 2.403 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 1213832057 UPMYECFKNGOQTR-OAQYLSRUSA-N 433.574 2.147 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]2C[C@@H]21 1248376450 YOIUAAANBFADRJ-QRVBRYPASA-N 439.516 2.062 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 1286268927 BYLSXEYQXZQGNY-KRWDZBQOSA-N 439.564 2.273 30 10 IEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286387094 NUSUDUKHKKNUOL-GCJKJVERSA-N 430.574 2.287 30 10 IEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1286681401 MWRFGKMNRFDXIY-ICSRJNTNSA-N 436.560 2.427 30 10 IEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1286695989 PLNURSUIKBTNSI-UHFFFAOYSA-N 429.521 2.224 30 10 IEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NCCC 1286716812 LYDRRBOFFRRMHI-UHFFFAOYSA-N 433.582 2.085 30 10 IEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286789558 HULQRVRJVHNSGD-UXHICEINSA-N 439.560 2.237 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1286798165 HULJQBYWFKDWFL-IAGOWNOFSA-N 448.568 2.209 30 10 IEEE C=CCOc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1286798404 KMTWRIWHDYETDD-AUSIDOKSSA-N 439.516 2.272 30 10 IEEE CCOC1CC(O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)C1 1296957646 QXNFQFDZOINZBQ-AJPWXKBRSA-N 430.440 2.225 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](CC)(C(=O)OC)c2ccccc2)s1 1297713562 VKZOEDDBSJSTNA-FQEVSTJZSA-N 436.555 2.350 30 10 IEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 1298830447 BWLACTNFNZKGMT-HNNXBMFYSA-N 441.550 2.208 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)C1=O 1300036795 GTBZYKRCEFWAEK-GOSISDBHSA-N 427.844 2.337 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N1CCOCC1 1300554587 FUTFHRGJNTYUEF-NRFANRHFSA-N 448.571 2.331 30 10 IEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCn2ccnc2C)CC1 1300708353 RBXGVFAFEDSCTJ-UHFFFAOYSA-N 433.560 2.434 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)OC)CC1 1300895461 SGTVOZDVPOOBGQ-MUGJNUQGSA-N 448.564 2.373 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1300983899 SFBGIWCGNMFYBT-UHFFFAOYSA-N 441.561 2.295 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1301000987 APBVQRHFFVHIRD-MRXNPFEDSA-N 447.565 2.429 30 10 IEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301226217 CRYLUISUKAWBFV-UHFFFAOYSA-N 438.623 2.366 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301289840 RZBKRTAVKVPKOI-PKOBYXMFSA-N 430.578 2.475 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1([S@@](C)=O)CC1 1301340647 KSBNNEZWFRQIIR-WJOKGBTCSA-N 440.573 2.392 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1301354793 JINYUQVXMPQHKB-SFHVURJKSA-N 444.536 2.478 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC2CC2)C1 1301555778 BSAQFSNPLHQIJU-INIZCTEOSA-N 431.487 2.455 30 10 IEEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCC(=O)N2CCCCCC2)c1 1302982123 FXJOWQMYJFAHLV-UHFFFAOYSA-N 449.559 2.311 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](O)Cc3cccc(Cl)c3)C2=O)cc1 1303285856 GGRWRDRUAKMRFY-OALUTQOASA-N 440.887 2.136 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)c2nccs2)CCOC1 1303503311 CMCXDHUCRPPPLR-JXXFODFXSA-N 432.550 2.308 30 10 IEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@@H](C(F)(F)F)O1 1305153400 CHEVVKRQHDJQOE-MAZHCROVSA-N 434.422 2.251 30 10 IEEE CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1313553989 LLJQBCJIHUHGIL-UXHICEINSA-N 438.532 2.100 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1313585530 AXLWKDXWJYPJBX-MRXNPFEDSA-N 439.488 2.112 30 10 IEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1315962031 CEYVLKOMGOIKCG-JTAQYXEDSA-N 425.533 2.467 30 10 IEEE Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1349461365 BULBCEHIYDPONL-JTQLQIEISA-N 425.415 2.236 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1358930332 STLVKPXVOILECA-QZTJIDSGSA-N 433.553 2.473 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(=O)NCC)cc1 1358952525 OJMCISYHPMSMST-UHFFFAOYSA-N 436.541 2.137 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1358962616 TWNNKSHNCPGAET-GOSISDBHSA-N 432.521 2.368 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC=C)[C@H]1CCS(=O)(=O)C1 1358966954 AIBGASSFOJHWMK-IRXDYDNUSA-N 449.577 2.163 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CCCN(C(C)=O)C2)n1 1359027830 XMVCARYPXAVWMC-FQEVSTJZSA-N 441.580 2.143 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(COC)n2)CC1 1359032944 JXKYHKOKLFOTKO-UHFFFAOYSA-N 433.541 2.223 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359034648 YXXPWACCJNGHEO-NHCUHLMSSA-N 438.624 2.192 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1359038834 MQVNOKWCUGXNJG-RBUKOAKNSA-N 427.524 2.424 30 10 IEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359224443 RAYKUECEYXEITI-INIZCTEOSA-N 429.521 2.222 30 10 IEEE N#Cc1ccc(C2(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)CCCC2)cc1 1360785830 FPLVVSQMMKAEGB-UHFFFAOYSA-N 445.585 2.459 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)c1 1441630828 MMLYEYLTIKIWEX-CLCOLTQESA-N 426.502 2.480 30 10 IEEE CC(C)(C)OC(=O)NCC1(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC(O)C1 1446342444 WAMBTSMFSACYPJ-UHFFFAOYSA-N 444.532 2.425 30 10 IEEE C#CC[C@@H]1CCCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1460288675 FMBYLQHDCJIETE-GOSISDBHSA-N 430.574 2.312 30 10 IEEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CCO2)cc1 1464144893 HRFKTFOWYRBXHN-KRWDZBQOSA-N 440.930 2.377 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(C)(C)C1 1471457797 OSZVKHZZNPRSDN-QGZVFWFLSA-N 428.537 2.430 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1474349842 AGHMTMCVIBXFPB-GCJKJVERSA-N 446.573 2.122 30 10 IEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)C1=O 1475242329 NJJAXPMSEZOVQM-WOJBJXKFSA-N 449.573 2.226 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1499984888 ZOWFDXUEZRNAFR-YJBOKZPZSA-N 441.492 2.134 30 10 IEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCCCCO)CC2)c1 1505319731 IWNNKKGHAZHLDP-FQEVSTJZSA-N 439.564 2.318 30 10 IEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CCO1 1505322692 SKOXNWJBALOXEZ-QGZVFWFLSA-N 426.864 2.237 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC=CO1 1507521664 PBTINOUBJJEPSZ-SJLPKXTDSA-N 429.546 2.346 30 10 IEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507564943 ZOPRHPZGILBSIG-ZWKOTPCHSA-N 449.621 2.115 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1c1cnn(C)c1 1507644240 FHFQJPCHSRKCMO-GOSISDBHSA-N 434.935 2.469 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1C 1507689317 JSPWPIBGDZZFNN-UHFFFAOYSA-N 428.541 2.029 30 10 IEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C(C)C)N1CCOCC1 1507692535 WTAHOYIGRLYNJT-OAQYLSRUSA-N 435.576 2.333 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCCC1 1507712697 MLXQGBOYEKPUMJ-UHFFFAOYSA-N 435.532 2.166 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507772379 PGEHNVJDLWUDSB-DNVFCKCGSA-N 428.581 2.064 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1507812467 MANQSXRYYLQETM-CQSZACIVSA-N 425.530 2.487 30 10 IEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507866981 DTZWXRPWZGQLMT-INIZCTEOSA-N 434.953 2.283 30 10 IEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1507944042 LTAWJXWBVJQHOC-HZPDHXFCSA-N 444.565 2.145 30 10 IEEE C=CCCOCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1507965050 ACKCJMZMROMQGC-UHFFFAOYSA-N 426.569 2.409 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507983670 WLMMFZPTCGKPNR-UHFFFAOYSA-N 438.576 2.280 30 10 IEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1507997590 BPWGPEGRBYCAJR-WOJBJXKFSA-N 441.532 2.236 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1508088613 CKACGFRAJOQXGM-VQTJNVASSA-N 425.533 2.225 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@]1(OCC)CCOC1 1508150101 ZQLZOXLUYFAERU-NQIIRXRSSA-N 438.594 2.300 30 10 IEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1508168877 ZPPBFSUNIWOKSG-UHFFFAOYSA-N 438.575 2.020 30 10 IEEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1509787531 BHFHWWCJNZBTIS-FUHIMQAGSA-N 439.582 2.024 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ncn(C)n2)cc1C 1510933498 DZPLWYYUTWOAQL-JOCHJYFZSA-N 433.520 2.454 30 10 IEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1515674349 IEOCHMQUMRONMG-WOJBJXKFSA-N 427.505 2.149 30 10 IEEE Cc1nsc(N2CCN(C(=O)C(F)(F)n3cc(-c4ccccc4)nn3)CC2)c1C#N 1527592241 NFOUAKBWIPAWMG-UHFFFAOYSA-N 429.456 2.480 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)c(OC)c1OC 1538963893 VGTXRJPELSIHRG-HNNXBMFYSA-N 429.521 2.143 30 10 IEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1539120119 QZJUGXWDGZSXEP-MRXNPFEDSA-N 427.471 2.480 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539231276 QOGWZFXJDYEGJR-AZUAARDMSA-N 444.557 2.144 30 10 IEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1539343972 UJJFYNKWQWGTJZ-HNNXBMFYSA-N 425.468 2.170 30 10 IEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1539744443 LTQJNCNHLCTNFK-GOSISDBHSA-N 426.521 2.205 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1OC 1539751978 YKRWHCVZIKCZSV-SFHVURJKSA-N 434.562 2.418 30 10 IEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539976630 AZVWVVLLICQCRT-HNNXBMFYSA-N 430.940 2.495 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](COCC)C1 1540867539 ZGTLBRFPDZJHJC-QGZVFWFLSA-N 441.532 2.271 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)C 1540902335 HFXULRSZOGPMCF-UHFFFAOYSA-N 447.609 2.145 30 10 IEEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1547077614 NMAFKFRTNPIQNJ-UXHICEINSA-N 438.532 2.495 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1B1OC(C)(C)C(C)(C)O1 1556082684 AFTMRUCMCWYWDA-LJQANCHMSA-N 425.338 2.290 30 10 IEEE C[C@H]1CN(Cc2ccc(CN(C)CCS(=O)(=O)c3ccc(C#N)cn3)cc2)C[C@@H](C)O1 1559953551 WCDBHFNEDBOWDE-KDURUIRLSA-N 442.585 2.468 30 10 IEEE C=C(C)C[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1561828860 BTIOXCYIGXLRGO-DLBZAZTESA-N 428.938 2.372 30 10 IEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H](C)NC(=O)OC(C)(C)C 1564530601 GAPKXJDPFGXPLD-GBJTYRQASA-N 425.530 2.346 30 10 IEEE COC(=O)C1(C#N)CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCOCC2)CC1 1565322822 MVHBDDYVBOJNJB-UHFFFAOYSA-N 428.533 2.156 30 10 IEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1587782744 AXCWWSJQWHVNDG-INIZCTEOSA-N 449.602 2.087 30 10 IEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587883785 MIQXTDKLBKTAAT-IBGZPJMESA-N 445.589 2.357 30 10 IEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588034756 LKOHQPQIQKRJLK-KRWDZBQOSA-N 449.558 2.233 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1588053560 FTMKOBWFJIEWMK-KBPBESRZSA-N 440.978 2.172 30 10 IEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCSC1 1588123984 ARGUFXRBNGKEBR-INIZCTEOSA-N 428.587 2.064 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1cc(C)ccc1OC 1588560383 PRFLTMBPPVRWHR-UHFFFAOYSA-N 425.533 2.160 30 10 IEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589097006 JZLYOXRYKFMDRN-IBGZPJMESA-N 431.606 2.205 30 10 IEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1593746395 DAVOULZNBHJMAY-IRXDYDNUSA-N 426.583 2.024 30 10 IEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1594569076 XXDWGKXIBAGCAJ-CHWSQXEVSA-N 425.477 2.012 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)Nc2ccccc2)C1 1595665385 SZOAAAVQUDZFDC-IBGZPJMESA-N 438.532 2.324 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595744602 NSQZTIWIFLJBBU-AZUAARDMSA-N 446.573 2.382 30 10 IEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(=O)(=O)CC 1613108009 FDORASLJVOOGNA-IERDGZPVSA-N 433.578 2.485 30 10 IEEE CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1614218967 TXGDVDUCTQWKGU-VQYLBFNNSA-N 440.504 2.377 30 10 IEEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc(F)ccc2OC(F)F)c1=O 1614781320 SLPXBWXRYOKFFM-UHFFFAOYSA-N 425.363 2.012 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1620019364 MVUKCDNWICVBAW-NEYJZJCJSA-N 446.596 2.382 30 10 IEEE COC(=O)CC1(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCOCC1 1623941525 AZKJEOBRTHIYJZ-INIZCTEOSA-N 425.526 2.440 30 10 IEEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1 1627415077 ZUYWFOULTULTOJ-XWSJACJDSA-N 432.542 2.147 30 10 IEEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCO2 1627500032 FYPQGZSUGHYAFI-MAODMQOUSA-N 425.526 2.392 30 10 IEEE COCCN1CC[C@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1628163554 RASTZHLQNZNVHQ-ICSRJNTNSA-N 428.533 2.229 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NCc1cncc(C#N)c1)C(=O)OC(C)(C)C 1635329394 UZGOPHQNFLFOBF-UHFFFAOYSA-N 433.509 2.331 30 10 IEEE C[C@@H](CC(=O)NCc1noc2c1CC(C)(C)CC2)/N=C1/NS(=O)(=O)c2ccccc21 1637258979 LEBJIXZQYYXGHK-ZDUSSCGKSA-N 430.530 2.323 30 10 IEEE CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854266 CJPVURSOZASQRL-ROOCWEIGSA-N 431.514 2.148 30 10 IEEE C#CC1(O)CCN(C(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1641976301 CDVWMENXGLJFDJ-UHFFFAOYSA-N 432.473 2.235 30 10 IEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CC1 1644431969 MEVLREYFYLKRSX-DQCUIEDLSA-N 432.609 2.437 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1644466415 PBOXSWIEGXIHLF-LBPRGKRZSA-N 431.352 2.030 30 10 IEEE N#Cc1cccc(-n2ccc(C(=O)N3CCn4ncc(I)c4C3)n2)c1 1645259844 ZKKLTWMGDXNONG-UHFFFAOYSA-N 444.236 2.201 30 10 IEEE Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1652521067 KPNNEZWYJRHOFC-KSSFIOAISA-N 438.431 2.414 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1652905344 GITJOVHFEPPTSI-DLBZAZTESA-N 428.537 2.027 30 10 IEEE C#Cc1ccc(NC(=O)CCN[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)cc1 1653439297 RHUMHXNBLISYGJ-QHCPKHFHSA-N 442.537 2.468 30 10 IEEE Cn1cc([C@H]2CSCCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 1654917962 BLAMUJWACAXMIQ-RBUKOAKNSA-N 444.630 2.371 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689996593 KKEXGIUNAPNYTR-AWEZNQCLSA-N 446.426 2.185 30 10 IEEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC(O)CC1 1690063554 HPCMDAASOJXLHZ-UHFFFAOYSA-N 427.549 2.269 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1690097759 NZARSBGCFUEALM-HXUWFJFHSA-N 445.589 2.018 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(N(C)C)CCSC2)CC1 1690129477 YNTKGKHFLPLOMS-QHCPKHFHSA-N 442.608 2.201 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1690132848 YNCZNMLKROWQNP-UHFFFAOYSA-N 427.512 2.122 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690150262 AUCZLHCWXLLMGW-XLIONFOSSA-N 441.601 2.447 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1690466953 HIJYMNCEVDFJDA-UHFFFAOYSA-N 429.569 2.141 30 10 IEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1690484890 GQGXDQGPFMSOAD-DLBZAZTESA-N 432.525 2.281 30 10 IEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1690621848 BFIQMBXVDYAMKR-HXUWFJFHSA-N 425.533 2.493 30 10 IEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 1690661010 SLRSFPNFPKPUKL-ZWKOTPCHSA-N 440.548 2.039 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1 1690661118 VEMFTRLQEIFHSL-NRFANRHFSA-N 438.576 2.475 30 10 IEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690683767 UUURFPUAGBHROI-HXUWFJFHSA-N 425.533 2.185 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC[C@H]1C 1690729273 KOYHVQIGOMGUCM-GOSISDBHSA-N 434.562 2.300 30 10 IEEE CC(=O)N1CCN(CCn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)CC1 1690870075 BBDAOYMRRJGSHH-UHFFFAOYSA-N 449.603 2.357 30 10 IEEE CC(C)Oc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1690993038 DGJBOIVVRZDNTR-HZPDHXFCSA-N 434.566 2.320 30 10 IEEE CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1697109413 CSCQWUVUGKCOKU-KRWDZBQOSA-N 438.532 2.468 30 10 IEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1697924888 WZYZRGUVYFJRGF-SIKLNZKXSA-N 436.520 2.037 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1705493515 KCWPMFRZFWFUSZ-ZBFHGGJFSA-N 426.487 2.352 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1705500282 KHXQJBRNQQXWAG-CCWVLBSLSA-N 432.528 2.438 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705523091 KGFGDKLIRSREJW-IBGZPJMESA-N 443.596 2.192 30 10 IEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1705568934 AWQWPXCXYYNCNZ-QFIPXVFZSA-N 449.580 2.328 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OCCOC 1705578313 NVHXKPFWYDTFAI-UHFFFAOYSA-N 426.480 2.358 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1705580608 MLRYLWZBWAWMGM-HXUWFJFHSA-N 441.539 2.077 30 10 IEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OCC)CC1 1705680878 IVJWHGLPHACWJZ-AWEZNQCLSA-N 446.346 2.189 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705693535 HSACKRONMQSLFA-KURKYZTESA-N 448.568 2.112 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 1705940001 SGAFLJMYSQOIHG-UHFFFAOYSA-N 429.594 2.431 30 10 IEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)F 1706422602 DNDLLNHBYHPYPH-UHFFFAOYSA-N 445.518 2.052 30 10 IEEE CCCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1709677592 QQNVRDMSFHMLDT-IBGZPJMESA-N 425.537 2.192 30 10 IEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1722332484 LSCXDTBNCYMFSG-IIBYNOLFSA-N 432.500 2.442 30 10 IEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722352803 ZMIWUIOQJCNJST-LJQANCHMSA-N 446.559 2.448 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc([C@@H](C)OC)n1 1722386933 BSSHVIOYTZWXHP-RYRKJORJSA-N 429.546 2.287 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)SC 1722417956 ZGJYTZIJDDVNIA-CABCVRRESA-N 439.582 2.419 30 10 IEEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1722431426 KTKUMCYJVPRFCG-UHFFFAOYSA-N 426.540 2.181 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2CC)CC1 1722438828 DBOUMXZZDIPTEH-GOSISDBHSA-N 428.531 2.387 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1722474930 QUDSEVJCZISQFV-QEEYODRMSA-N 449.602 2.385 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 1722504696 OPFQJBOBFDJYNE-GUXCAODWSA-N 429.496 2.289 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722509010 VNSRTEDYUXSEPR-PKOBYXMFSA-N 441.580 2.355 30 10 IEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722555232 YSYCIMHEPYGGSO-SJLPKXTDSA-N 449.987 2.260 30 10 IEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1722630033 UAGPQMUDZNCMOP-APWZRJJASA-N 428.489 2.383 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1722668248 NKOVXAXDHSCUCT-SFHVURJKSA-N 445.589 2.248 30 10 IEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1722668940 GUIWKLDNOIMFHO-MRXNPFEDSA-N 433.516 2.132 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cncn2)C1 1722695832 RFLMICODLSMNOH-HNNXBMFYSA-N 444.902 2.473 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](COc2ccccc2)C1 1722698438 YTMUPDUMNHTXNP-FQEVSTJZSA-N 448.527 2.235 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722726105 ZRJPUOMSZAVTKI-QGZVFWFLSA-N 443.577 2.132 30 10 IEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1726627090 GDEGVMBSKIBVGF-MRXNPFEDSA-N 429.546 2.400 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1(CN2CCOCC2)CCCCC1 1740544701 JRPGSKWUDYUWAM-IBGZPJMESA-N 425.581 2.419 30 10 IEEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1740580434 XVUGAHSMPRODRQ-SFHVURJKSA-N 443.573 2.334 30 10 IEEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740598262 KGLDYMSYLXVMAS-IAGOWNOFSA-N 430.553 2.229 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1 1740644418 FLCKCAZPSYACGT-UHFFFAOYSA-N 442.564 2.279 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1740696459 VAFUBLZSANWMPQ-PKTZIBPZSA-N 436.604 2.403 30 10 IEEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@](C)=O)cc1)C1CC1 1740912855 UYGIKCJFVAIMNM-PMERELPUSA-N 427.574 2.482 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1740990509 BNTZICQOFISUCV-YJBOKZPZSA-N 447.561 2.036 30 10 IEEE CC(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1741295505 GRBSMMHNCWYWGX-UTKZUKDTSA-N 428.468 2.005 30 10 IEEE C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1)N(C)C 1741843788 BPVZCVDWXWXRNZ-INIZCTEOSA-N 434.548 2.272 30 10 IEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1 1741885005 FHCDKDNNIRYMLQ-HOTGVXAUSA-N 430.578 2.169 30 10 IEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CC2CCS(=O)(=O)CC2)C1 1741983004 DFZSMEHKHCPBCE-NRFANRHFSA-N 428.562 2.219 30 10 IEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](OC)C2)CC1 1746433775 HQHBKGXYOWQDKB-UGKGYDQZSA-N 437.592 2.458 30 10 IEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1747767735 PNKLUTKXQUTDSK-UHFFFAOYSA-N 434.548 2.299 30 10 IEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCS(=O)(=O)c1ccccc1 1748798047 AFLBCUZZBYELFQ-UHFFFAOYSA-N 426.546 2.073 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCOC[C@@H]2CCCO2)CC1 1748993547 BONZIKBMNDQUAT-FQEVSTJZSA-N 429.590 2.271 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCOc2ncccc2F)CC1 1748994235 VLZPMCZCBOGFMG-UHFFFAOYSA-N 426.521 2.299 30 10 IEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749022752 LXYDDRJWCYZFLE-ZWKOTPCHSA-N 438.594 2.143 30 10 IEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNC(=O)C(C)(C)C)CC1 1749334746 MEFCYJRWCINHII-UHFFFAOYSA-N 449.563 2.486 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCCS2(=O)=O)CC1 1749343965 WOFOTJYMOMERQC-UHFFFAOYSA-N 445.589 2.315 30 10 IEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749688960 ASFNOQCJJHFRDG-LJQANCHMSA-N 445.589 2.458 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)C1 1749719716 ZVLLGOIRLNFBTG-UGKGYDQZSA-N 447.967 2.358 30 10 IEEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1750564828 MSTNNSQCQZJXFS-XMMPIXPASA-N 449.559 2.036 30 10 IEEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccco1 1750751124 PCDDKWGNJAAEFR-UHFFFAOYSA-N 448.531 2.093 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1760127967 SIKNXRHDEPXXPZ-IBGZPJMESA-N 434.544 2.202 30 10 IEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1760144378 NIKTZHFJVZWMSX-GOSISDBHSA-N 437.548 2.388 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC=CO1 1760247785 PEHPHIYWQOIKBO-GOSISDBHSA-N 448.527 2.454 30 10 IEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCOC[C@H]1OC 1760251353 YDFUPPOMJXMOHN-RBBKRZOGSA-N 437.544 2.419 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](F)COC)CC1 1760255055 UBLFNNBAWNXWRK-QGZVFWFLSA-N 436.329 2.447 30 10 IEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1760257254 RWLHLXMXAZHBED-VGOFRKELSA-N 444.605 2.254 30 10 IEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2nc(C(F)(F)F)cs2)CC1 1760260630 ZVUDJDWQEXVMFH-UHFFFAOYSA-N 434.451 2.014 30 10 IEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1760307200 OQGXYRHGJHJMJK-CQSZACIVSA-N 439.358 2.075 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760355556 OBPSLYRFXCPFIO-GOSISDBHSA-N 427.553 2.316 30 10 IEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760425009 BIZITLHUDZQSLM-HNNXBMFYSA-N 430.582 2.326 30 10 IEEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC)C1CC1 1760471648 CNRXCKTXGQGSLH-UHFFFAOYSA-N 435.536 2.238 30 10 IEEE C[C@@H]1COCCN1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1763239767 CJASRSJYUYOQDP-OZQHCQBDSA-N 434.560 2.359 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1763422636 FIHPMKFMQQAQNT-MFEFFIJZSA-N 440.548 2.193 30 10 IEEE N#C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)CCO1 1770746973 DMMMWESJWVEPON-KRWDZBQOSA-N 429.431 2.141 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(-n2cccn2)c1 1771179007 LURWCFNXFTUCIF-KRWDZBQOSA-N 436.520 2.371 30 10 IEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1771352027 GSMNETAJVUBWQO-FUHWJXTLSA-N 447.586 2.105 30 10 IEEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)cc1F 1851258561 KHGDRYBQEKHXOI-UHFFFAOYSA-N 438.438 2.384 30 10 IEEE Cc1c(CN(C(=O)c2ccc(C#N)cc2)[C@@H]2CCCN(c3nccn(C)c3=O)C2)cnn1C 1853485635 PBVKFLJZRZSTJX-OAQYLSRUSA-N 445.527 2.005 30 10 IEEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2ccncn2)CC1 1854422930 AYFSXPDTBDAZIS-UHFFFAOYSA-N 426.498 2.327 30 10 IEEE N#CCS(=O)(=O)N1C[C@H](OC(=O)CCc2ccc(Cl)c(C(F)(F)F)c2)CO1 1855383122 CNXSGPAGUHOREY-NSHDSACASA-N 426.800 2.304 30 10 IEEE COc1ccc2c(c1)CC[C@@H](C(=O)O[C@H]1CON(S(=O)(=O)c3ccccc3C#N)C1)C2 1855409246 XBWUPGFZJLJLPD-YLJYHZDGSA-N 442.493 2.220 30 10 IEEE COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855723092 JFGNZRAMGZUFLV-ZDUSSCGKSA-N 447.900 2.282 30 10 IEEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(c2ccccc2F)CC1 1858111385 MRSWOTDLJHTOBG-INIZCTEOSA-N 430.505 2.424 30 10 IEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1CCN(C)CC1 1861964130 PABDBUAJPYMKCW-QFIPXVFZSA-N 427.545 2.182 30 10 IEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(Cl)cc2)C1=O 1863533401 ATTJMQGQVRRCIS-UHFFFAOYSA-N 431.901 2.043 30 10 IEEE COc1ccc(C(=O)NC(C)(C)C(=O)Nc2cccc(C#N)c2)cc1N1CCN(C)CC1 1867224452 QQFJKDXEFIVBKU-UHFFFAOYSA-N 435.528 2.466 30 10 IEEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2ccc(OC)c(F)c2)c(OC)c1 1870095886 XUWVKDJAUCRGAE-UHFFFAOYSA-N 447.448 2.164 30 10 IEEE CN(C)c1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1 1874294913 AJJJHIZHHHYODO-WSDLNYQXSA-N 439.501 2.303 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 1891246366 KQNGXAKHDNAZJJ-UHFFFAOYSA-N 446.523 2.385 30 10 IEEE N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)CCN1Cc1ccccc1 1914763469 KSIZKRPTHAOSRO-VJBWXMMDSA-N 432.524 2.341 30 10 IEEE Cc1nc(I)c(N)c(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 2008827202 QFANDXYAXVHUHE-AWEZNQCLSA-N 434.285 2.186 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2009956033 FJMKWXCVUCBKPH-ZIAGYGMSSA-N 442.513 2.058 30 10 IEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N=c2ccc(I)n[nH]2)C1 2011717317 PNRVHKUTTSHDPY-UHFFFAOYSA-N 444.273 2.303 30 10 IEEE C=CCC1(NC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022844618 WPHGPCDUIVLTEZ-QFIPXVFZSA-N 439.553 2.430 30 10 IEEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669553 FFJASRFQLSAQAF-UHFFFAOYSA-N 443.313 2.434 30 10 IEEE CN(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2243418559 GQHBLKGOSDDUIQ-UHFFFAOYSA-N 425.360 2.429 30 10 IEEE C[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C(=O)OC(C)(C)C 2243678887 PHFDMBIBEXKXTM-LBPRGKRZSA-N 425.360 2.314 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2247833219 CGIOBGPNDHPIHJ-GFCCVEGCSA-N 439.343 2.113 30 10 IEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396728 DCNADHYYDGPYIA-LBPRGKRZSA-N 439.343 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248403635 HMGTULMHVGFGDP-LBPRGKRZSA-N 439.343 2.017 30 10 IEEE CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248436340 MNEQNBKFEUJWPU-ZDUSSCGKSA-N 435.355 2.234 30 10 IEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)cc2)OC1(C)C 2248584095 SJZKAQFSLMOPOL-UHFFFAOYSA-N 431.319 2.261 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2250272494 OLUBBDAMAHSROJ-STQMWFEESA-N 437.371 2.475 30 10 IEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254802854 YLGZWHXAVDXUSM-NWDGAFQWSA-N 431.239 2.413 30 10 IEEE Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2255813841 WIMGQWHXOPHSBI-BFHYXJOUSA-N 449.382 2.488 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@@H]1NC(=O)OC(C)(C)C 2255873878 PAAQPRIZQXYWRY-HOCLYGCPSA-N 433.358 2.310 30 10 IEEE Cc1nc(NC(=O)C[C@@H]2CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256627249 TVIQCYYNCKQLOK-AWEZNQCLSA-N 432.330 2.422 30 10 IEEE CC1(C)OB(c2nscc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256925752 XBUNWWFMZDYORD-HNNXBMFYSA-N 446.334 2.232 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267002637 CQSMRWODHDNPMD-CABCVRRESA-N 448.373 2.143 30 10 IEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267138669 ZCHOLDYGNXMSRL-GDBMZVCRSA-N 448.373 2.474 30 10 IEEE Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267139098 BCYZWQGCTOVMLT-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C 2267159464 QXEKCLYOCAJDNX-MJGOQNOKSA-N 438.381 2.421 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267213637 FIHNEXDSKNRAAU-HNNXBMFYSA-N 446.357 2.228 30 10 IEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267519604 JEVPHXMCLVPMKO-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2267587969 FHMYUVFBZPOBRQ-UHFFFAOYSA-N 443.353 2.464 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2267600253 COGNLVUSRSQCMI-FQEVSTJZSA-N 434.349 2.174 30 10 IEEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267870295 CGRPMCOXWDYXPH-OAHLLOKOSA-N 446.357 2.247 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2312861592 QPSNSVDENYPBQV-UNEWFSDZSA-N 431.342 2.062 30 10 IEEE C#CCNC(=O)C[S@](=N)(=O)c1cc(I)ccc1Br 2316461045 NHYKTKAWDYAIFK-SFHVURJKSA-N 441.088 2.209 30 10 IEEE COc1nc(O[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317555932 NHHPDDNNLPBOPJ-HUUCEWRRSA-N 436.314 2.060 30 10 IEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)cc1 2328573876 FFYVGKQPBSBFRN-UHFFFAOYSA-N 439.497 2.230 30 10 IEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2-c2ccccc2)cc(OC)c1OC 2330657770 RGUKEUCVKQZVEB-UHFFFAOYSA-N 427.486 2.431 30 10 IEEE COCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc2c(c1)OCCO2 2331305579 VVTKJQWBGCJETO-UHFFFAOYSA-N 434.518 2.412 30 10 IEEE C=CCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCCOc2ccccc2)cc1 14034744 RKDRHCAMXOZIQV-OAQYLSRUSA-N 438.480 2.204 30 10 IEEE C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35991794 DDFMZZUQZRPPHP-JOCHJYFZSA-N 440.544 2.229 30 10 IEEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1 103459529 QGZQLXNEZJMYDB-QKDOTCOFSA-N 432.527 2.314 30 10 IEEE C=C(C)Cn1c(SCC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)nnc1-c1ccco1 428034522 CSKNDRYOZFGMBY-UHFFFAOYSA-N 447.561 2.302 30 10 IEEE CCOC(=O)[C@](C)(NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 431232348 CHGYAXLYWKVTSX-OYHNWAKOSA-N 444.509 2.324 30 10 IEEE Cc1ccc(-n2[nH]c(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cc2=O)cc1 469074948 RDYGRKBGRGESBR-IBGZPJMESA-N 433.493 2.500 30 10 IEEE COc1ccc([C@@H](CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)NC(C)=O)cc1 486022257 YWDPQCWDWZIJHG-FCHUYYIVSA-N 434.496 2.051 30 10 IEEE C=CCc1ccc(OCC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c(OC)c1 505401350 DSCQTHAUIOPGGU-GOSISDBHSA-N 429.561 2.394 30 10 IEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 508849569 QWQYPJITOWOOAK-MRXNPFEDSA-N 445.593 2.165 30 10 IEEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)Nc2ccccc2OC)CC1 509000692 UNKSFOACWKFBNU-LJQANCHMSA-N 427.505 2.416 30 10 IEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1Cl 541665906 SVEQASDHFNABEE-QUCCMNQESA-N 438.915 2.477 30 10 IEEE COc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1F 571943559 ABKDWCCRPIBBJS-CQSZACIVSA-N 428.439 2.371 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CC1 572758035 GTHFFAUQUDBAGR-UHFFFAOYSA-N 430.468 2.313 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 580204325 CADJXHIDKOGMOP-OALUTQOASA-N 435.528 2.382 30 10 IEEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 582038303 FEFBJBMJEGSBFJ-FPOVZHCZSA-N 437.500 2.265 30 10 IEEE COc1ccc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1F 588647291 JFUUYOOAKPFOCZ-OAHLLOKOSA-N 446.504 2.483 30 10 IEEE CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3)c2=O)c1 603990437 CYCYANIGQIDWNZ-UHFFFAOYSA-N 437.496 2.076 30 10 IEEE CC(C)(C)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 611564836 YKZGBLLXMDMXIQ-LJQANCHMSA-N 425.533 2.344 30 10 IEEE CCc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnc2c1c(=O)n(C)c(=O)n2C 677222393 LTWUVRRVLDGOSI-GFCCVEGCSA-N 437.456 2.433 30 10 IEEE C[C@H]([C@H](C#N)NC1CC1)n1cnc(I)c1I 711011492 VNILSUWBUCAUPS-SVRRBLITSA-N 442.042 2.297 30 10 IEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccc(C#N)cc2F)C1=O 729818158 IICYNZALMLPWLJ-KRWDZBQOSA-N 439.472 2.064 30 10 IEEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2CCCC2)cn1 730144032 GYTAFRQJPDSDAY-SFHVURJKSA-N 434.610 2.483 30 10 IEEE CC(C)(C(=O)N1CCN(C2CC2)[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 732647656 HKMXPNZWJLYJDR-OAHLLOKOSA-N 440.363 2.200 30 10 IEEE Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N4CCN(C5CC5)[C@@H](C#N)C4)cc3)nc12 732706769 OKFCSHAQBZJGJF-FQEVSTJZSA-N 428.496 2.447 30 10 IEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CC1 732797195 NLCCNKUPNBXTDJ-UHFFFAOYSA-N 434.521 2.417 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1-c1ccccc1C#N 739831771 OVRFNFDHOFCGRE-UHFFFAOYSA-N 433.836 2.359 30 10 IEEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 739837247 HZFIFDCIHJISFW-UHFFFAOYSA-N 430.468 2.269 30 10 IEEE Cc1cc(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(C)n1Cc1ccco1 741340744 GMVGQJVXNGSYSG-QURGRASLSA-N 425.441 2.389 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC[C@H]2c2ccccc2I)CC1 748817926 PVFPYYYFICCOBY-SFHVURJKSA-N 437.325 2.206 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(-c3ccncc3)cc2F)c(=O)n1C[C@@H]1CCCO1 751814202 GIIHAQOPMINWGB-IBGZPJMESA-N 432.480 2.317 30 10 IEEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2ccc(F)cc2)n1 768068440 KTMWVUYCOAAZQP-GOSISDBHSA-N 438.507 2.446 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2ccc3ccccc3c2)cc1 783635316 GEWXZOIDRHOZQU-NRFANRHFSA-N 436.489 2.395 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 788553839 MZIVKAXCGNMDNF-UHFFFAOYSA-N 447.561 2.226 30 10 IEEE Cc1nccc(CN2C(=O)[C@H](CC(=O)NCCCN(C)C)SC2=Nc2ccsc2)n1 790741302 GELDMUZSDDLVFS-KRWDZBQOSA-N 446.602 2.436 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)[C@@H](c2cccnc2)C1 799922139 VKIRUOIZGIELBE-LJQANCHMSA-N 428.537 2.373 30 10 IEEE N#CC1(CCCOC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCOCC1 800154466 RGJBEGHIJSPVIM-HXUWFJFHSA-N 425.485 2.106 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800780188 LTCOSWWFEOVVCO-KRWDZBQOSA-N 433.578 2.179 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)ccc1F 816925960 FCQPHTYWVSYBKT-UHFFFAOYSA-N 430.408 2.420 30 10 IEEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 920113551 HSRYLAIIWYHKJE-MGPUTAFESA-N 441.434 2.394 30 10 IEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1130455829 IPISUKVYSJGYKJ-HIFRSBDPSA-N 440.422 2.483 30 10 IEEE CCCCCCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1136995716 BWTBBIDYZSTKSK-UHFFFAOYSA-N 431.599 2.440 30 10 IEEE CC(C)(C)OC(=O)CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1141411802 NCKHMXYLCLZWHB-UHFFFAOYSA-N 447.557 2.293 30 10 IEEE COCCCn1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 1141567021 BWZIFHPPZVITOQ-UHFFFAOYSA-N 425.468 2.061 30 10 IEEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 1142382977 YKZSMWAHXCUNMX-UHFFFAOYSA-N 426.517 2.017 30 10 IEEE N#CC1(C[C@H](O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)CCOCC1 1175078767 FCDYKWMOYFRJNA-SFHVURJKSA-N 425.451 2.421 30 10 IEEE N#Cc1ccc(N2CCC[C@H](N3CCC(S(=O)(=O)N4CCCCC4)CC3)C2=O)cc1 1176411631 LGRUINZYZSRZPJ-NRFANRHFSA-N 430.574 2.334 30 10 IEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3cnc(Br)cn3)C2=O)cc1 1226111424 ISQNHTZLTKRSFB-HNNXBMFYSA-N 429.278 2.106 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1278476873 GOKWUKMKAJMWFM-CYBMUJFWSA-N 446.978 2.358 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1286299538 WTKBUIUXDSGJFV-IEBWSBKVSA-N 438.557 2.067 30 10 IEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286327327 IIZDJXRNUWBVSV-UHFFFAOYSA-N 432.532 2.193 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1286394856 XHIYLVTWVZOMQB-GOSISDBHSA-N 447.630 2.041 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286459288 MGSFKOWCALAEAH-OAQYLSRUSA-N 434.544 2.260 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1286518169 ZROTWIFZPYQWPV-OPAMFIHVSA-N 442.589 2.203 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCS(C)(=O)=O 1286553766 GASGPXBNZVKOOQ-BZSNNMDCSA-N 426.583 2.372 30 10 IEEE C=C(C)COCCn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1286614061 JOFNRXPYJULPLK-UHFFFAOYSA-N 433.557 2.020 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1286787743 IYZSXEHARWCPCN-SFHVURJKSA-N 440.548 2.166 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)C1 1286810622 UBFSBSLBIJFDDF-HZPDHXFCSA-N 426.608 2.247 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1286814282 OVSKPVQMYSIVFG-MHTWAQMVSA-N 447.580 2.042 30 10 IEEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCNS(C)(=O)=O)c2ccccc2n1 1289354303 ZUPVMDHKIGRIES-INIZCTEOSA-N 441.561 2.479 30 10 IEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300421528 JQBFWVKIRAOYOH-LJQANCHMSA-N 426.542 2.206 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1300430182 IYYWNLBWYYFTQY-HNNXBMFYSA-N 431.924 2.423 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCN1CCc2sccc2C1 1300673499 MPXWJOBRDQKFRB-UHFFFAOYSA-N 436.585 2.470 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300700258 NLUUZMUYLLOCOI-RBUKOAKNSA-N 446.596 2.183 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[C@H]2CCOC2)CC1 1300725887 FTKBTUMMFUZMGE-SFHVURJKSA-N 439.535 2.400 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC)C1 1300872504 FVVYQHRSDGASRV-XDNAFOTISA-N 425.599 2.496 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOCC)CC1 1300885477 PTHOAKSLPDCYBQ-HBMCJLEFSA-N 433.597 2.312 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301053736 MFIOTGYREBZFNO-SFHVURJKSA-N 438.463 2.357 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301153769 CMFGDUURIJDDDH-UHFFFAOYSA-N 432.594 2.384 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CCOCC2)C1 1301544291 WFCOKOLAYKJYMY-GHTZIAJQSA-N 427.549 2.456 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2oc(CCC)nc2C)C1 1301556746 JBHDRNDLWBFSBM-SJORKVTESA-N 449.577 2.259 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](SCC)C1 1301578540 DCQSVLLZCOYMHS-QGZVFWFLSA-N 438.623 2.391 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(OC)C1 1301596693 WGBQDGDNCLAGBX-HZPDHXFCSA-N 426.583 2.023 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1301609578 LIZYQFORBFXLMB-OAHLLOKOSA-N 426.546 2.336 30 10 IEEE CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1302059375 DCWADPSWPKLGOB-FQEVSTJZSA-N 431.516 2.272 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1302969398 DYRKNYJCKUEBHJ-FGZHOGPDSA-N 438.576 2.210 30 10 IEEE COc1cc(I)c(C(=O)NCC2(C#N)CCOCC2)cc1OC 1305275335 OZEKWDGGNZZRNO-UHFFFAOYSA-N 430.242 2.359 30 10 IEEE C[C@]1(C(F)(F)F)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1308016715 HSXNNXWMJYVGFW-IEBWSBKVSA-N 428.430 2.188 30 10 IEEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)C(C)(C)C 1310050696 MYPZJJQMKCCNAH-QAPCUYQASA-N 435.546 2.430 30 10 IEEE COC[C@@H](F)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315820363 YXOVOWKUBUTZHU-SFHVURJKSA-N 436.495 2.226 30 10 IEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1315916740 BLDODDGWZKCYQU-UHFFFAOYSA-N 440.548 2.364 30 10 IEEE COC(=O)CNC(=O)c1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1 1351301165 ALJHQVFXHYEASB-UHFFFAOYSA-N 446.257 2.241 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1358937087 HVWNMGZSUSSDMD-UHFFFAOYSA-N 436.472 2.069 30 10 IEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1359006907 NKVIMIISYDFUCU-UHFFFAOYSA-N 426.546 2.143 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1359038382 UOKGVTBXRYSKFY-JOCHJYFZSA-N 436.604 2.169 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1359240320 LLPSPDDDTSRHES-IBGZPJMESA-N 449.577 2.011 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1359332540 ABFIWZFJULEUGZ-UHFFFAOYSA-N 446.621 2.491 30 10 IEEE Cc1nc(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2c(C)c(C)sc2n1 1463163112 KMLVKKJBGHOPQA-SCLBCKFNSA-N 436.584 2.105 30 10 IEEE C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@@]2(CCCOC2)O1 1463608362 HZZJAYFCRLVARZ-BDJLRTHQSA-N 433.299 2.418 30 10 IEEE C#CCC1(NC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)CCOCC1 1468322656 JMERNYPUXSJTSX-UHFFFAOYSA-N 433.574 2.321 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1)c1ccc(Br)cc1 1475334199 ILQLPPVVAMUPPX-CQSZACIVSA-N 434.271 2.456 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)cc1 1475974478 WQJGYVFHXWFQMG-UHFFFAOYSA-N 435.506 2.242 30 10 IEEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1492911608 MBJWGFVYYHFOIY-IPELMVKDSA-N 429.569 2.409 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1507520732 GOFYHNBITGIRCC-ZDUSSCGKSA-N 429.431 2.216 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)c(C)c2)CC1 1507720317 UCRRGZGGLKQPKL-QHCPKHFHSA-N 427.524 2.181 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(CC)c2)CC1 1507735434 WNXTXNRCSDMEQL-UHFFFAOYSA-N 447.543 2.184 30 10 IEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507840666 NWUHGHAJJIQYAX-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCOC1 1507844930 SQIZNKLTKZGIMI-LJQANCHMSA-N 427.553 2.270 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1508079842 DVQXMVPOLYAFEC-OALUTQOASA-N 448.575 2.352 30 10 IEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCOC(C)C)CC2)c1C#N 1511661788 GAGKTQRKDMSVCV-IBGZPJMESA-N 442.568 2.185 30 10 IEEE CC1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1512352825 GEMWYSHFJPUCQV-FQEVSTJZSA-N 428.512 2.457 30 10 IEEE CN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1517131959 INCAGOGRSRQNOM-XDOYNYLZSA-N 431.500 2.446 30 10 IEEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1517185083 AXHNBPYUCIZWDF-ZWKOTPCHSA-N 440.529 2.362 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1519425131 PETVVXMCBWPFED-AABGKKOBSA-N 444.580 2.391 30 10 IEEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(CC#N)cc3)c2)C[C@@H](C)O1 1529869999 GOTMEYVUNVGFRE-CALCHBBNSA-N 427.526 2.481 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](C#N)C1 1534303721 AYDQKHNSJMWPOE-DZGCQCFKSA-N 434.443 2.289 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCCC1 1539028508 BMAZHDCXKBXGEW-HNNXBMFYSA-N 449.602 2.085 30 10 IEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539085541 MPTNEZGMANVBMJ-HXUWFJFHSA-N 428.581 2.068 30 10 IEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539104148 DZBPLNOGJPCXEF-OAQYLSRUSA-N 441.923 2.221 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539202438 IWECEHLJOCBOGQ-QZTJIDSGSA-N 435.619 2.393 30 10 IEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1539219951 OQSGUWOBQMFFTE-XWQURZDVSA-N 448.633 2.435 30 10 IEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1539221413 OJFKMJVUYUJGHH-QZTJIDSGSA-N 438.594 2.209 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1539261156 ZJOWENKGMKLOMC-HSZRJFAPSA-N 428.452 2.167 30 10 IEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1539668997 IJQMIFSQQUXLJN-SFHVURJKSA-N 435.550 2.132 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539752709 XBXFXRLBDJZFNY-IBGZPJMESA-N 446.621 2.385 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1540179915 DBILNMYGFHAYSZ-ZJSXRUAMSA-N 425.577 2.474 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1540877239 OLKIMDLQGZQBJH-LQWHRVPQSA-N 443.523 2.437 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)c(OC)c2)C1 1540882225 DSAFFJXDGAMLAA-FUHWJXTLSA-N 449.577 2.035 30 10 IEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1541283504 BOXMEFKYISCXJT-UHFFFAOYSA-N 444.543 2.311 30 10 IEEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1541957766 SBILRKIZBKHYNJ-XFQAVAEZSA-N 431.924 2.462 30 10 IEEE C[C@@]1(C(F)F)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1557598686 DTJKRPVAPMUZLC-IBGZPJMESA-N 429.489 2.168 30 10 IEEE C=CCC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CC1 1560155844 WGNDTIPRMPYNSC-NBVRZTHBSA-N 447.532 2.381 30 10 IEEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 1560210856 MZMPZURCYOBECE-GOSISDBHSA-N 437.562 2.290 30 10 IEEE C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)n1cc(Br)cn1 1568507866 HKHPHPLJAFNFRG-GUYCJALGSA-N 430.306 2.386 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)n1 1568521444 APFPWRJSJCTSHW-HXUWFJFHSA-N 441.532 2.022 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)c1cc[nH]n1 1587007745 YHGRNVOCXNSXML-UHFFFAOYSA-N 430.461 2.216 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1587620392 CUDNKCAIMORGOB-ROUUACIJSA-N 433.560 2.382 30 10 IEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587872402 HILGVOYOFQBKJU-UHFFFAOYSA-N 443.555 2.297 30 10 IEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1588051014 ZINBGCYWTWYIIO-KRWDZBQOSA-N 427.555 2.271 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc(C)cn2)CC1 1588835527 AKITWVYLIUFHRP-UHFFFAOYSA-N 425.487 2.107 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1589151018 PSTATFMWXHUSBF-HRAATJIYSA-N 431.562 2.327 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1596551765 HLXMJZMMMWOJKQ-GOSISDBHSA-N 449.596 2.296 30 10 IEEE CN(C)c1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)N(C)C)cc1 1603554214 AIFPCNAAPZWADC-FQEVSTJZSA-N 432.521 2.222 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)cc1 1612145609 YQHQXDJZPVZWRP-OAQYLSRUSA-N 440.548 2.007 30 10 IEEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CC2(C(N)=O)CCOCC2)cs1 1612403411 VUUYLHNHBLKVDC-UHFFFAOYSA-N 443.577 2.046 30 10 IEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCCN1CCCC1 1612883024 GUMJTLXQHVVXHM-SFHVURJKSA-N 437.596 2.438 30 10 IEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(C)C)CCO1 1618709065 HRDDKSRNFZEXKN-LJQANCHMSA-N 440.548 2.362 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1620002593 VIEHGQSPOAIVKQ-HLIPFELVSA-N 439.582 2.099 30 10 IEEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 1625113271 NHIDRLAVUXVQMK-UHFFFAOYSA-N 439.459 2.299 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1627794442 PMERLGZXBBVKJY-MSOLQXFVSA-N 430.482 2.332 30 10 IEEE CC(C)(C)OC(=O)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1627881206 MOOIZSDUIHOPBE-UHFFFAOYSA-N 444.513 2.494 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC 1628680610 ORDOVFHOTHJTFY-SFHVURJKSA-N 430.501 2.112 30 10 IEEE O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N[C@H]1CCN(O)C1=O 1637458015 FGOIYBRNWSMUST-INIZCTEOSA-N 427.461 2.272 30 10 IEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)n1 1638356853 ADFCFLLOVRBTAZ-UHFFFAOYSA-N 431.474 2.261 30 10 IEEE O=C1c2ccccc2C(=O)N1CC#CCN1CCN(c2ccc(Br)cn2)CC1 1644883556 YVKRMOJGPMLPDX-UHFFFAOYSA-N 439.313 2.266 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2sccc2Br)c1 1651021812 YYJMEIUBYQMXKX-UHFFFAOYSA-N 427.345 2.395 30 10 IEEE O=C([C@H](c1ccccc1F)N1CCOCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221307 VTHNCSYRAQQNFC-FQEVSTJZSA-N 441.459 2.103 30 10 IEEE C=C(C)C[C@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C(=O)OCC 1665221467 GVRULKHBNATHKU-HNNXBMFYSA-N 432.564 2.160 30 10 IEEE C#Cc1ccc(S(=O)(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)cc1 1671853403 YVNAAGPGUYDELQ-KRWDZBQOSA-N 428.514 2.234 30 10 IEEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1676392325 BOGYUSQPOGVQLZ-KRWDZBQOSA-N 433.921 2.410 30 10 IEEE C#C[C@@H](NC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)C1CCOCC1 1678433305 INRXPZSVHWWHEZ-QGZVFWFLSA-N 427.592 2.049 30 10 IEEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1683289323 SVDNLAYZHAUFPM-NRFANRHFSA-N 436.560 2.332 30 10 IEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)N1CCN(c2ncccc2C#N)CC1 1685557951 SUEZKJYBOABDHF-KURKYZTESA-N 426.521 2.325 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1689831631 OFFSFRHMEAHCKB-YADARESESA-N 439.560 2.273 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1689849337 KLCMICKVAJHWOK-HOCLYGCPSA-N 437.591 2.326 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1689965724 BYWCBJVIMZQDMG-SFHVURJKSA-N 426.521 2.294 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N[C@@H](C)CC 1689978545 YAYHYCNYXKGNMB-YESZJQIVSA-N 432.569 2.423 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689993366 BMTPFMBPFLDWGI-SFHVURJKSA-N 432.521 2.075 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCOCC1 1690091188 LGNBEVDANYBKNP-UYAOXDASSA-N 427.524 2.282 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCCC2)CC1 1690148640 NSDQLJMAZVFVHO-UHFFFAOYSA-N 449.603 2.104 30 10 IEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1690508791 PPKSFBVNVQBZJZ-IBGZPJMESA-N 445.589 2.229 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1690572252 XJSMCUGZIVHNLI-RBUKOAKNSA-N 443.523 2.272 30 10 IEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690673747 CLOCREMEGPZLMG-KRWDZBQOSA-N 426.550 2.011 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1690699641 HLRVMHVPYOKVHI-UXHICEINSA-N 425.533 2.313 30 10 IEEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1696439965 BZSDKEAJEUGNSX-UHFFFAOYSA-N 447.543 2.427 30 10 IEEE CN(CCc1cnccn1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1696786483 IGBVKFFUVCVIRM-UHFFFAOYSA-N 448.512 2.251 30 10 IEEE C#CCCCn1c(N2CCC[C@@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1705538964 FZZRRMUMFUHNEB-OFNKIYASSA-N 441.580 2.469 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705545767 MVJUCLMOPXIZQE-UHFFFAOYSA-N 430.574 2.252 30 10 IEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705564790 QESXTUINYSOQLP-HYFFOGBASA-N 446.548 2.262 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1705617132 VEMJPSOFWBNREM-UHFFFAOYSA-N 441.351 2.124 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705662455 ZGAIUJZXNPSDCW-IRXDYDNUSA-N 435.594 2.499 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1705725390 XPVZKJZBNMNCIX-GOSISDBHSA-N 433.578 2.471 30 10 IEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1705739833 SOBVTOHOHHUWKR-UHFFFAOYSA-N 446.527 2.440 30 10 IEEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)C1)c1ccccc1 1705798433 RZLMLJBJOFNWRC-DYXWJJEUSA-N 425.533 2.298 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@@H]1C 1705877963 GCRALFDZCILWIP-SXLOBPIMSA-N 445.589 2.427 30 10 IEEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1705891456 GFEUUQWJTVUVPD-KRWDZBQOSA-N 438.536 2.253 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705898872 AIYGMGHMMWIUKP-QGZVFWFLSA-N 443.523 2.408 30 10 IEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705948230 MFFZMKUZYKCYMV-HXUWFJFHSA-N 448.618 2.151 30 10 IEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1705954738 RGBHTJRIVYQWDA-UHFFFAOYSA-N 442.589 2.379 30 10 IEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1708607168 WCHNNNDLRVADKC-UYAOXDASSA-N 438.580 2.106 30 10 IEEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1722383435 HWDDEBGEKPRHIO-UHFFFAOYSA-N 427.574 2.238 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(c3ccccn3)CCC2)CC1 1722429038 FZAWALCYRPFHGS-UHFFFAOYSA-N 449.603 2.469 30 10 IEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](C)c2nc(-c3ccccc3)no2)CC1 1722442533 YWLMKXNEODKNDD-GOSISDBHSA-N 435.532 2.424 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1 1722494959 TYDVTNIGBXTALU-VQTJNVASSA-N 431.581 2.484 30 10 IEEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)N(C)C 1723246836 HSGSWWVWPDLGKI-UXHICEINSA-N 437.548 2.434 30 10 IEEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1723715792 QDWDLZKPEMAXMX-HSZRJFAPSA-N 438.532 2.260 30 10 IEEE Cc1cccc(CCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)C[C@H](C)C#N)n1 1724521021 BTCGWUXTZNVWMN-MRXNPFEDSA-N 428.504 2.463 30 10 IEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)OC 1727955072 AZGJSPGSMZJACO-APWZRJJASA-N 426.521 2.211 30 10 IEEE CCOC[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729119449 YDPBOKYOKJNFNO-XOMICKMZSA-N 428.537 2.325 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1729409186 CFNSTIZJDSPUBG-LJQANCHMSA-N 429.546 2.115 30 10 IEEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1730700028 APXOHSBUWCMPGN-INIZCTEOSA-N 436.438 2.358 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccnc1-n1cccn1 1740642046 JJGQLYSZEAJBCB-UHFFFAOYSA-N 428.525 2.336 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740644937 ZPWGSHVBUPZWCV-FQEVSTJZSA-N 444.539 2.030 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1740653203 DJRSXXUCFJRYNE-QGZVFWFLSA-N 445.527 2.362 30 10 IEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ncccc2F)CC1 1740698325 RCXYOTRNRISPDC-UHFFFAOYSA-N 441.536 2.002 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740794611 DWIACSYXESVQTE-HXUWFJFHSA-N 437.548 2.358 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740959660 CBOAICUDYZLIJM-IEBWSBKVSA-N 429.496 2.191 30 10 IEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1740965691 RMMNJROOGGJELD-HSZRJFAPSA-N 438.532 2.129 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)Cc2ccccc2)C1 1740975284 AAPGCRRNJDDCDX-IBGZPJMESA-N 433.516 2.175 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](COCC)C1 1740992602 RKUWLMCFMPMAEQ-ZWKOTPCHSA-N 426.583 2.026 30 10 IEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1745428283 AYEIGODFZHKMAA-FQEVSTJZSA-N 436.564 2.105 30 10 IEEE CCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1745676130 DJCLGFDCERTWJG-QFIPXVFZSA-N 425.537 2.322 30 10 IEEE CCN(CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1746136906 CHLLILQPQUNGIP-FQEVSTJZSA-N 432.532 2.354 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748032883 OUHNDCHSKKWVCJ-OPAMFIHVSA-N 439.470 2.209 30 10 IEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1748803873 APBKCVSLFQLHDX-HXUWFJFHSA-N 442.585 2.411 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2csc(CC)n2)CC1 1749014001 BJFYIVHISKHTPG-KRWDZBQOSA-N 442.589 2.009 30 10 IEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749105771 OPJJZFTYMKIRBS-AWEZNQCLSA-N 435.326 2.449 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1749136612 PTTMNTJDYQGXFC-DENIHFKCSA-N 430.597 2.302 30 10 IEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749276382 IFLYTFUPBBMGJG-UHFFFAOYSA-N 426.912 2.142 30 10 IEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749606100 IQBUQHJUESDUHW-KRWDZBQOSA-N 444.511 2.317 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749681234 YXQNFROHIXXETF-ZWKOTPCHSA-N 441.532 2.031 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCCCC2=O)C1 1749706360 PDSLNVZLQVKQDU-LJQANCHMSA-N 427.553 2.253 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)F)C1 1749717650 NWPCJKXXOMYKDH-QGZVFWFLSA-N 444.486 2.444 30 10 IEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(C)(C)OC[C@@H]1C 1749736517 KRPIZAZBUBBOSB-AWEZNQCLSA-N 439.607 2.238 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCn1cnc2ccccc21 1751193384 BBBPEWJWKWADGX-CVEARBPZSA-N 444.565 2.067 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1760098170 PMCUIPXMCFEIBH-HOTGVXAUSA-N 433.578 2.333 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCn2cc([C@@H]3CCOC3)cn2)c1 1760125874 NJNXPHHOIFVPKI-LJQANCHMSA-N 433.516 2.043 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)F)c1 1760210205 ODZGFOLSNGKQLI-OAHLLOKOSA-N 435.500 2.337 30 10 IEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC(=O)NC(C)C)CC1 1760255875 BKKRRLSNONGQSW-UHFFFAOYSA-N 434.588 2.418 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)C1 1760315732 IIKSGCXVKKLHET-YRNRMSPPSA-N 429.496 2.475 30 10 IEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1760462694 HJNOTFUAFSFRGH-HTAPYJJXSA-N 434.585 2.081 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760548905 SBNPFDBARYNZRW-QGZVFWFLSA-N 437.610 2.374 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1761542083 BNDSUQBQASUZGM-HXUWFJFHSA-N 432.525 2.250 30 10 IEEE CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1764257507 ZPQLATIGTCOLSN-RTBURBONSA-N 425.537 2.190 30 10 IEEE CO[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1768027179 BSEGRQMXDIXKFV-IBGZPJMESA-N 431.544 2.493 30 10 IEEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1772863676 UEQWIUFRUIJLNI-VQTJNVASSA-N 449.559 2.228 30 10 IEEE N#C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C[C@H]1c1ccccc1Cl 1848726204 AYAKSTMVXBOAGK-CZUORRHYSA-N 429.885 2.250 30 10 IEEE COc1ccc(C)cc1N1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851519729 QGCHXBHISSKANC-GFCCVEGCSA-N 447.435 2.227 30 10 IEEE C=CCN1C[C@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccccc3OC)cnn2C)CC1=O 1852378996 KSPJUCCEBSQZFQ-QGZVFWFLSA-N 449.515 2.017 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CSC4CCCC4)C(=O)C3)C2)cc1 1854237700 CKPSEKSVYRGMKJ-HXUWFJFHSA-N 426.586 2.479 30 10 IEEE C=CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1855552803 KLSVSTYUVAUVBY-SFHVURJKSA-N 439.965 2.130 30 10 IEEE N#CCCN1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C(=O)C12CCCCC2 1856631556 VMCJECLCBYQAIN-UHFFFAOYSA-N 435.521 2.277 30 10 IEEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862420164 DQHGXLPMBPZCTG-IBGZPJMESA-N 446.406 2.393 30 10 IEEE COc1ccc([C@@H](C(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)C(C)C)cc1OC 1866992806 XEWBCVWHPHKJHS-NQIIRXRSSA-N 425.485 2.431 30 10 IEEE CC[C@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868795542 LZXKFTFNCCPNSA-AVRDEDQJSA-N 432.590 2.293 30 10 IEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588534 JTYXAOBTLHKIDK-UHFFFAOYSA-N 448.575 2.253 30 10 IEEE C=CC1(NC[C@@H](CC2OCCO2)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1883432621 FJYYTVXEKAJELX-OAHLLOKOSA-N 427.542 2.408 30 10 IEEE CCOC(=O)N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1890584513 ZTEFZFMUYNXFKR-VQTJNVASSA-N 444.557 2.252 30 10 IEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)CC1 1891060244 QZWTUSOPVPGBQP-UHFFFAOYSA-N 432.996 2.315 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2068911411 IXELKBRXHVHNAO-KRWDZBQOSA-N 435.374 2.376 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOC1 2128729564 DYOFIIMEZPIQRZ-HSZRJFAPSA-N 446.353 2.286 30 10 IEEE CN[C@H](C#Cc1ccccc1Br)[C@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C 2235723583 ULTOBXNYQKAABS-MBOZVWFJSA-N 439.350 2.433 30 10 IEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(OC)CN(C(=O)OC(C)(C)C)C2)C1 2247537313 AEKXGGQEHHLNDO-UHFFFAOYSA-N 437.537 2.045 30 10 IEEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)B1OC(C)(C)C(C)(C)O1 2247901397 KCJAEKQDMWWOLI-GJZGRUSLSA-N 448.366 2.441 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1 2255635936 NLTGVASFHCZRMU-AWEZNQCLSA-N 436.362 2.187 30 10 IEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255826049 JOQFLBPZSXMUBL-UONOGXRCSA-N 434.346 2.084 30 10 IEEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256668582 CEMFTCKMXPOHIC-XJKSGUPXSA-N 435.330 2.248 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267100327 SNQRQAZWPJBVKM-CABCVRRESA-N 448.373 2.474 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)c1ccco1 2267140800 FYYOUESEVRWUJB-AWEZNQCLSA-N 446.313 2.298 30 10 IEEE CCn1cc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267183238 FGVGKQYLKCTAQF-CABCVRRESA-N 448.373 2.378 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267184890 YELWGPYYWVHHNT-ZBFHGGJFSA-N 448.373 2.095 30 10 IEEE Cn1ncc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267192532 SAKAUEWBRYAEKU-GOEBONIOSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)COC1(C)C 2267292596 FVFRJABZVONMGQ-HNNXBMFYSA-N 449.357 2.416 30 10 IEEE Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502969 VZKMUAMNFOYFLH-LSDHHAIUSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267568510 IUWMZPLFVLHGRS-MRXNPFEDSA-N 449.357 2.070 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267813005 KDVQWHXALIOEOV-DOMZBBRYSA-N 448.325 2.040 30 10 IEEE C[C@@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268721407 KVOITHWXSMJZRY-CRAIPNDOSA-N 448.369 2.439 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2270884878 NYARJQJPCCYMRA-OWCLPIDISA-N 444.341 2.360 30 10 IEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271393053 HDXVUQDRQNQYAH-HOCLYGCPSA-N 448.373 2.237 30 10 IEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@H]3CF)cc2Cl)OC1(C)C 2282828807 VFSNCOJMAWGAMD-SNVBAGLBSA-N 425.740 2.060 30 10 IEEE Cn1cc(I)c([C@H](O)[C@H](N)C#Cc2ccc(Br)cc2)n1 2296267123 PNCRGQNWZBCRRL-TZMCWYRMSA-N 446.086 2.200 30 10 IEEE CC[C@@H](C)N1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 2296945924 WFYVVJNOLZYVIW-CYBMUJFWSA-N 445.614 2.317 30 10 IEEE CC(=O)NCc1nnc(S)n1N=Cc1cc(Br)cc(Br)c1O 2321942981 GZXYQACBMMUBAI-UHFFFAOYSA-N 449.128 2.316 30 10 IEEE COc1cc(Br)cc(C=Nn2c(SCC(N)=O)nnc2C2CC2)c1O 2331737760 DFPYPOPKVVLDTM-UHFFFAOYSA-N 426.296 2.092 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)n1C 2337191454 ZKGFPPXOOCZZAY-HNNXBMFYSA-N 448.373 2.109 30 10 IEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2ccc(C#N)cc2Br)C1 2379812757 AZGKJYJQRVEOFN-INIZCTEOSA-N 435.322 2.492 30 10 IEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)Nc1ccccc1F 18760058 UQVIYKFPONYOLI-QHCPKHFHSA-N 437.427 2.473 30 10 IEEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n[nH]1 20424102 BHGJFBZXDZLINP-IFRROFPPSA-N 441.546 2.445 30 10 IEEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 24713332 QATUBZSSFIYYEV-UHFFFAOYSA-N 430.486 2.372 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N(CC)Cc2ccccc2)ccc1F 31224311 KJWJVXCHISMDRF-UHFFFAOYSA-N 434.489 2.496 30 10 IEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc3c(c2)OCO3)/C1=C(/O)c1ccccc1 136499189 FKADFNFNTGLKDT-SADKCHQCSA-N 436.464 2.169 30 10 IEEE C#CCN(C(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 222871296 YXFUAFVVLZGPMW-CYBMUJFWSA-N 435.137 2.474 30 10 IEEE O=C(Cc1cccs1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 254701024 OYWBCXJSNRFLAO-CJNGLKHVSA-N 436.536 2.321 30 10 IEEE CC(C)(C)OC(=O)/N=C(\NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 306585923 KNFDNRSWAHJRET-LLVKDONJSA-N 446.501 2.370 30 10 IEEE Cc1ccc(-c2nc(-c3cn(C)nc3C(F)(F)F)no2)cc1S(=O)(=O)NCC#N 426223954 FTXKQZINZVXVHQ-UHFFFAOYSA-N 426.380 2.266 30 10 IEEE CNC(=O)C[C@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1ccccc1 431097886 NWVSOOLKSWEPTC-NRFANRHFSA-N 445.527 2.435 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)cn1 461317763 JSXKFCPRYPYACV-SFHVURJKSA-N 430.468 2.395 30 10 IEEE COc1cccc(Cl)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 462422544 ZOLQUVZWEJRUQA-UHFFFAOYSA-N 433.917 2.296 30 10 IEEE COc1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(OC)c(C)c1OC 478579516 APPUGMQTMDXMNZ-UHFFFAOYSA-N 433.486 2.465 30 10 IEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O 490932911 JSFDZLACCFMZBD-AWEZNQCLSA-N 429.484 2.065 30 10 IEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 508846843 IHAPNGNERXQXTO-UHFFFAOYSA-N 447.547 2.336 30 10 IEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O 512418014 JDRRLSVNSSKRBH-SFHVURJKSA-N 427.354 2.079 30 10 IEEE COc1ccc(Cl)cc1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 516794040 PTCICCPSGMMRDU-SFHVURJKSA-N 440.887 2.148 30 10 IEEE C[C@]1(C(N)=O)CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 544531749 VTMPCZDIUZGVQP-WAIKUNEKSA-N 427.549 2.086 30 10 IEEE CCOCCCNC(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546918846 XYXYSQQTBNXVJA-UHFFFAOYSA-N 436.516 2.464 30 10 IEEE N#Cc1cncc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 549522518 RUFIVJXFMAJXHR-HXUWFJFHSA-N 426.542 2.160 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2Cc2ccccc2)CC1 558936273 ZQUKUZIURHFKGH-UHFFFAOYSA-N 434.544 2.129 30 10 IEEE CSc1nc(O)c(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)cc1C#N 587975238 RUPRBMSGZKBUDP-IBGZPJMESA-N 437.569 2.413 30 10 IEEE C=CCOc1ccccc1CN(C(=O)Cn1ccc(=O)n(C)c1=O)c1ccc2c(c1)OCO2 599474748 STRZUXINUWCEQR-UHFFFAOYSA-N 449.463 2.074 30 10 IEEE N#Cc1ccc(Br)c(CN2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 617227650 MOOZPHMNYOGQFZ-UHFFFAOYSA-N 435.347 2.290 30 10 IEEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 619105738 KGYSFISFJJWPRN-FQEVSTJZSA-N 437.569 2.462 30 10 IEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccoc3)c2=O)c1 727417453 FRZVIEPZQUALFU-UHFFFAOYSA-N 433.489 2.323 30 10 IEEE C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 740075460 INVZKVMNSLXQRX-UHFFFAOYSA-N 435.493 2.088 30 10 IEEE COc1ccc(CNC(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1C#N 747431062 HSLMUZJYJAYURA-UHFFFAOYSA-N 429.565 2.192 30 10 IEEE Cn1c(=O)c2ccccc2n2c(SCCS(=O)(=O)c3cccc(C#N)c3)nnc12 753967574 FDFKEUPAXZYGFI-UHFFFAOYSA-N 425.495 2.019 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)nn2)cc1 761968958 GAMFYLGSXQVNEE-HIXSDJFHSA-N 438.513 2.397 30 10 IEEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 763718029 GDGXZBPXCIHYCW-LJQANCHMSA-N 429.440 2.275 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3ccco3)ccc2c1=O 769355375 PUFNCWBQSYAXBW-YJBOKZPZSA-N 441.509 2.429 30 10 IEEE COc1ccc(S(=O)(=O)Oc2ccc(CC#N)cc2)c(NS(=O)(=O)C(F)F)c1 769621379 OHECSQUGEKCFRV-UHFFFAOYSA-N 432.426 2.493 30 10 IEEE CCc1cccc(CC)c1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769830266 MVIRTMCEGBBMRG-UHFFFAOYSA-N 429.498 2.143 30 10 IEEE C#CCN(C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1)[C@@H]1CCS(=O)(=O)C1 774195246 GFPVZXJGCODLOO-GOSISDBHSA-N 432.542 2.449 30 10 IEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(OC)CCC2)c1 779753688 DNJDMJSEGJEYCH-LJQANCHMSA-N 442.585 2.236 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 792109924 GUAMCDSGJAVDSY-IBGZPJMESA-N 431.508 2.422 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 792109926 GUAMCDSGJAVDSY-LJQANCHMSA-N 431.508 2.422 30 10 IEEE Cc1oc(NC(=O)COC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c(C#N)c1C 796421971 DWYCSOOBZOYEAQ-KXBFYZLASA-N 441.488 2.372 30 10 IEEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 800773073 AOQFVEISMWZZOZ-VGOFRKELSA-N 427.505 2.275 30 10 IEEE Cc1ccc(C(=O)C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 918373211 VYICBFWQWVEAOD-UHFFFAOYSA-N 425.510 2.155 30 10 IEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)cc1 1084586651 DATLDVJLVQBAEA-UHFFFAOYSA-N 443.445 2.035 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 1130824576 OVHLJBQADPVEQM-MRXNPFEDSA-N 434.920 2.371 30 10 IEEE COC[C@](C)(C#N)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1137349216 KJZHDNNANROUGE-QUCCMNQESA-N 435.571 2.285 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nnc4n3CCCC4)CC2)s1 1155139621 GWLZJKIKBDEWRG-UHFFFAOYSA-N 449.602 2.089 30 10 IEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(NCCn4ccnc4)cc3)C2=O)cc1 1156592127 OWVBYHJQCATKSJ-JOCHJYFZSA-N 428.496 2.398 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 1157759976 GIQFWTIIITZUFY-IAGOWNOFSA-N 439.553 2.435 30 10 IEEE CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 1170364419 DIEFMZOHXIVGED-JRBITFDPSA-N 425.595 2.082 30 10 IEEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1183763828 WAKAFOOJMRFEEG-MRVPVSSYSA-N 442.295 2.106 30 10 IEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)Cc1noc(C)n1 1209715847 BCLOPAIGMKLSTE-AWEZNQCLSA-N 426.292 2.429 30 10 IEEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS(=O)(=O)CC1 1286344635 IFWPMPYGYLIFHN-UHFFFAOYSA-N 441.326 2.495 30 10 IEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286390009 VCILZHKUXVEHEZ-LJQANCHMSA-N 433.622 2.294 30 10 IEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2cc(C)nc21 1286419087 MSYIUEYXWNCRMT-IBGZPJMESA-N 442.527 2.471 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)C[C@H]1C 1286510044 HPHNVZCIYLYWDU-QGZVFWFLSA-N 443.573 2.289 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccccc2)C1 1286793723 KOENXKNEVLAWQA-DYXWJJEUSA-N 425.533 2.298 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286822060 YPOUNNRMXYMYME-UHFFFAOYSA-N 448.515 2.466 30 10 IEEE Cc1nnc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290730865 WQXLBPROEJEOOC-UXDFZSADSA-N 449.559 2.071 30 10 IEEE C[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1291295710 CCJVWQFLHVSMTK-LPHOPBHVSA-N 431.562 2.360 30 10 IEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1300638682 UJOZYITTZFWUOM-LJQANCHMSA-N 427.530 2.156 30 10 IEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1300766901 NRFVSIFLBRVBKK-UHFFFAOYSA-N 431.587 2.197 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)NC(C)C 1300789708 VRHZTQZMDDEAMS-OAQYLSRUSA-N 431.562 2.274 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1300869614 NBLDXWCMTHIDRM-AZUAARDMSA-N 427.553 2.473 30 10 IEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300990075 SZVUMAVXQZFNCH-GOSISDBHSA-N 430.597 2.318 30 10 IEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CC1 1301086762 OWPBIMCKZAAVAP-SFHVURJKSA-N 435.594 2.129 30 10 IEEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCC(Nc2ccccc2C#N)CC1 1301624896 BFVKJTHNDKEOGF-UHFFFAOYSA-N 429.484 2.465 30 10 IEEE N#CCCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 1302596146 FXLWJWHHCWRXKN-UHFFFAOYSA-N 434.468 2.437 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)C1 1302981903 ALFUXPSEHWBBJT-HSZRJFAPSA-N 433.491 2.438 30 10 IEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(C(F)(F)F)c1 1303366960 FMYDRJKSODJAOZ-QGZVFWFLSA-N 425.390 2.320 30 10 IEEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1303500003 BTLUXGPXWYELHD-GGAORHGYSA-N 444.580 2.494 30 10 IEEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)c1 1303899696 KNBLIPBFZAURQY-ZWKOTPCHSA-N 449.511 2.426 30 10 IEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1CC(F)(F)C1 1305116118 BEOFDJSGTLSPSJ-AWEZNQCLSA-N 430.459 2.441 30 10 IEEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 1309603251 DDLQNIGZLZDKRF-LBPRGKRZSA-N 447.460 2.456 30 10 IEEE C=C(Br)CNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1311757215 NMAYPGCECPOPTC-YNAXMUEKSA-N 431.327 2.448 30 10 IEEE C=CC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1312018806 DYODIOKKHOPMBH-WMZOPIPTSA-N 429.521 2.218 30 10 IEEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)ccc1OCCO 1315319450 UIDXTNVBQIQOGO-AEFFLSMTSA-N 429.521 2.338 30 10 IEEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)CC1 1348067405 VNPDVOFJWWPRPP-UHFFFAOYSA-N 432.546 2.330 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1358889901 IMJWVPQKNMWQKN-WDYCEAGBSA-N 433.553 2.080 30 10 IEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1358963522 JQBNKIUVVAKFDM-APWZRJJASA-N 430.530 2.217 30 10 IEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359048756 AYZLOYCTAURMMU-DLBZAZTESA-N 425.624 2.162 30 10 IEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1359112366 HVVFVGKZIBGNFO-JPYJTQIMSA-N 441.580 2.394 30 10 IEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359293694 XHZHJOIQRPGUGE-RTBURBONSA-N 445.589 2.136 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 1452934718 CUBHJEWWOXRMHJ-UHFFFAOYSA-N 448.585 2.427 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)C1 1455701352 COTCURXOTZIWGS-YJBOKZPZSA-N 448.361 2.131 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C3)c1 1457022256 CFJHRPGQDGCUMU-CGTJXYLNSA-N 447.557 2.116 30 10 IEEE Cc1ccc(C(=O)N[C@H](CO)C(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1466604919 VNRNBSORPLHFLI-HXUWFJFHSA-N 439.317 2.128 30 10 IEEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@@H]2C)c1 1504115127 BCKXOWGVIFAFFU-SJORKVTESA-N 428.537 2.279 30 10 IEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCOCC3)CC2)cc1OC 1504155444 CTPNLWRSNXXIDD-QGZVFWFLSA-N 440.548 2.423 30 10 IEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1 1504912252 ZWSVTTCMIOMQOJ-UHFFFAOYSA-N 446.559 2.482 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1nc2cc(OC)ccc2n1C 1507516995 OFNLEWXNSFYROZ-JKSUJKDBSA-N 426.521 2.404 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1507552946 ASQVXQKOAPMKTH-SFHVURJKSA-N 437.548 2.470 30 10 IEEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1507556195 FLISTVBTQUDCEI-KRWDZBQOSA-N 449.552 2.442 30 10 IEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507596217 FGUUHQDOXGCQES-AABGKKOBSA-N 429.565 2.158 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)N1CCOCC1 1507642047 OLMCDADBPVFUEG-UHFFFAOYSA-N 442.523 2.123 30 10 IEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1507661072 LXQZHRZKQHTRCA-HUVFLSCGSA-N 442.560 2.120 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1507669892 UZCSJKLSLRDWFH-PMACEKPBSA-N 445.633 2.154 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1507800250 MMYJLMYXTMECBF-PKOBYXMFSA-N 425.537 2.173 30 10 IEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507836159 YUZPWAGLBNEOTO-JOCHJYFZSA-N 431.512 2.246 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1508145461 MIINYRHPULSZAB-HNNXBMFYSA-N 437.532 2.150 30 10 IEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1508447798 LBAIZLSYNRHKMO-CVEARBPZSA-N 426.521 2.426 30 10 IEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C#N)CC2)n1Cc1nnn(C)n1 1510261363 DCLHILSGCJLUHX-ZDUSSCGKSA-N 427.900 2.383 30 10 IEEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CCCO1 1512515395 IDGRIIRAZAOHPO-XMSQKQJNSA-N 426.569 2.310 30 10 IEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1513016204 FQBYCSMZHUYVMM-WMZOPIPTSA-N 436.564 2.300 30 10 IEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1516663896 FLIQSTPYAJTXGQ-LJQANCHMSA-N 441.532 2.133 30 10 IEEE COc1ccccc1Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCS(=O)(=O)C1 1518462358 GLONUELSJQNJDR-SFHVURJKSA-N 443.573 2.442 30 10 IEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1520732948 UUHSKVHJVNCCOE-PZPWOCDFSA-N 431.541 2.272 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1531183501 XSFLNXHEGQNWEI-UHFFFAOYSA-N 449.301 2.239 30 10 IEEE N#C[C@@]12CN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1538539460 HGNUWSIOODDNTG-FZMZJTMJSA-N 437.237 2.478 30 10 IEEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccc(Cl)cc1Cl 1539118020 DMSWLNLNFKQMLF-KPZWWZAWSA-N 439.324 2.498 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1539220277 HVCBTYYHUMCIPO-FQEVSTJZSA-N 444.605 2.466 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1539628922 UINXBLJFKAYTPS-PXNSSMCTSA-N 425.537 2.021 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@@H]1C 1540134225 UGCUTJAJVMWOIH-WDSOQIARSA-N 431.562 2.385 30 10 IEEE CC(C)(C)OCc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)no1 1541227883 MNKDFIISXMICQB-MAUKXSAKSA-N 430.509 2.252 30 10 IEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C 1541413441 ICSICWKSQULZDR-PMACEKPBSA-N 444.605 2.416 30 10 IEEE CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2C1 1542978580 SSDKMSVXQUXVNB-CZIZESTLSA-N 426.473 2.194 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1555631336 DPSPBIFWBUHMEN-KSFYIVLOSA-N 430.553 2.143 30 10 IEEE COCCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555683718 MPSXYFANZWGGCH-FQEVSTJZSA-N 434.500 2.451 30 10 IEEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 1557172455 LTVUAABWJLIQHF-YWMAMYRUSA-N 427.379 2.041 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC 1557387497 UMSQWYBVZURJGG-UHFFFAOYSA-N 440.500 2.202 30 10 IEEE CCOC(=O)c1cnn2ccc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc12 1563341173 GVAXMQLHIUISMC-CZUORRHYSA-N 442.476 2.392 30 10 IEEE NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1566687375 ZZFRLWZQHFJJOR-PCOVAHOMSA-N 429.879 2.432 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 1584171465 SFPAMHSTXZTNFB-WBVHZDCISA-N 445.463 2.185 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(OC)CCCCC1 1588109578 IQBATYCZRWNCDO-UHFFFAOYSA-N 430.516 2.343 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588211416 ZZDOORNBTFZXFA-HXUWFJFHSA-N 443.555 2.415 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1588314432 DZLVLMVKTGWEEM-FQEVSTJZSA-N 434.544 2.363 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CC 1588550610 VXJPBIDQVMAJTK-DYESRHJHSA-N 434.537 2.120 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)NC)C1 1589483280 OHCRRDWBUJFXFH-LMMKCTJWSA-N 446.596 2.140 30 10 IEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1593696367 OFZVXEMZSIFKCO-GOSISDBHSA-N 444.923 2.183 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN2CCN(C(C)=O)CC2)C1 1595707018 RKPMTIHGLCTSAE-IBGZPJMESA-N 442.539 2.030 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1596830476 BEGLFSYTCUTHBW-APWZRJJASA-N 442.589 2.207 30 10 IEEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCC(=O)N1 1597124896 VLNJYCJUBYZMAD-OAHLLOKOSA-N 425.512 2.192 30 10 IEEE COCCCNC(=O)[C@H](C)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 1611947721 PQHIJTZOMNJRTA-ZDUSSCGKSA-N 427.318 2.123 30 10 IEEE CCc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613954321 WMZGGOLFSRZTLC-QURGRASLSA-N 434.500 2.366 30 10 IEEE CN(CC1CCCC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1618082568 FMYSXQVYZIQAOU-QURGRASLSA-N 435.532 2.417 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3ccccc3)C3(CO)CCCC3)CC2)o1 1618373744 HMQYELKDFYILIH-JOCHJYFZSA-N 437.544 2.387 30 10 IEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)C[C@H]1OC 1620144363 DLLXXPLPXGQFLN-NJYVYQBISA-N 441.532 2.252 30 10 IEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1620150646 FTPZYSGFKYCVSH-LJQANCHMSA-N 440.529 2.180 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)[C@@H](C#N)C1 1621714730 AZXIIXCNEBGMNL-LBPRGKRZSA-N 442.303 2.090 30 10 IEEE C#Cc1ccc(S(=O)(=O)NC[C@H](Oc2ccc(Br)cc2)C(=O)OC)cc1 1622119899 KBKKKUJPGSRWRG-KRWDZBQOSA-N 438.299 2.329 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)C1 1628299000 AAIMUYRESWXVMJ-OAHLLOKOSA-N 447.377 2.374 30 10 IEEE C#CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 1634070886 GHCWTZNDOQYUTA-SFHVURJKSA-N 433.350 2.260 30 10 IEEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1634107329 CFVGFOPZPVLAHN-XXUFKVEXSA-N 449.552 2.444 30 10 IEEE N#Cc1sccc1N1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 1634174328 CXOOFFMQTLPEHE-IBGZPJMESA-N 425.558 2.218 30 10 IEEE CCc1ccc([C@@H](C#N)NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1638049883 GMKIFWBTYDBWKS-HXUWFJFHSA-N 428.514 2.257 30 10 IEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1640584909 GXRLLBYJYUDPJW-MJGOQNOKSA-N 442.516 2.053 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C2CCC2)CC1 1648166432 RLIYUPPPBLXSTI-GOSISDBHSA-N 433.574 2.438 30 10 IEEE C#CCN1CCC[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 1651805077 AMLDAQDIGXPBLM-NRFANRHFSA-N 428.577 2.227 30 10 IEEE C#CCN1CCN(C(=O)CN2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)CC1 1655919740 XPUBASFFLFXLFB-FQEVSTJZSA-N 432.609 2.171 30 10 IEEE CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@H](c2cc(Br)ccc2OC)C1=O 1656312364 FLSFSQDHQXWJQR-MEDUHNTESA-N 437.294 2.059 30 10 IEEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(C(F)(F)F)c1 1660037384 DYMZUBHRFHZWFH-HKUYNNGSSA-N 440.466 2.201 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 1666831924 BCXVMZJPRPLRIN-UHFFFAOYSA-N 425.482 2.174 30 10 IEEE C=CCCc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1668982290 FLDOTETXXQCOKG-OAQYLSRUSA-N 445.589 2.304 30 10 IEEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1671583078 XQIKDMMSCVMXTG-RTWAWAEBSA-N 439.560 2.338 30 10 IEEE C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1685065584 FWYFEJXXFAROJB-FHWLQOOXSA-N 432.565 2.432 30 10 IEEE C#C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1)C(C)C 1686675219 GZDMRVKEVIXENN-CABCVRRESA-N 425.270 2.132 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689991799 CNWYKCBLCSZFGN-HXUWFJFHSA-N 439.541 2.149 30 10 IEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCN(C)CC1 1690025058 BZDADSZTOGKXRE-UHFFFAOYSA-N 425.606 2.040 30 10 IEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1690060953 MXWOKCLORYKSSM-GOSISDBHSA-N 437.342 2.049 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1690124134 GEPPTRLQQFQACV-NRFANRHFSA-N 440.567 2.198 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H](C(C)C)N1CCOCC1 1690193560 MSOFRVUWLPBVCT-SXWKCWPCSA-N 433.597 2.351 30 10 IEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690308112 BAUBDJRODCZRCS-UHFFFAOYSA-N 431.541 2.328 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1690663202 PGSWBFCGUNXXFS-KRWDZBQOSA-N 428.493 2.407 30 10 IEEE CC(=O)N1CCC[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)C1 1690809149 CQKNTWMXOMMHEQ-HOCLYGCPSA-N 427.509 2.003 30 10 IEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1695534510 DTTQGHPROKYUAY-IBGZPJMESA-N 442.589 2.314 30 10 IEEE CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C)(C#N)CC2)CC1 1695867058 BQVPDLUXJKZNFR-WOJBJXKFSA-N 447.628 2.158 30 10 IEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)CCOC1 1696051102 CFPXQSYRKVUSED-FGZHOGPDSA-N 448.543 2.021 30 10 IEEE CN(OC1CCCC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1696845367 IDHQMHWYQCOWDZ-QZQOTICOSA-N 437.504 2.101 30 10 IEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)C1CC1 1697191311 GGGYATNPUFTYSI-HXUWFJFHSA-N 438.532 2.246 30 10 IEEE COc1ccc(CCc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C(N)=O)nc2)cc1 1697396189 HBLOGYQAZUDOFT-MRXNPFEDSA-N 433.516 2.352 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CCOCC(F)F)cc1 1698488156 KSZKYIDBGIGOIG-UHFFFAOYSA-N 433.459 2.484 30 10 IEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CC1 1698490673 YQCVKTQGWGTLPO-ZDUSSCGKSA-N 437.513 2.216 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C(C)C)N1CCOCC1 1705501466 ZQPROWOMXOTARB-MSOLQXFVSA-N 444.605 2.084 30 10 IEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(Cc2ccccc2)c1 1705540561 FOHAVSWLSRXSQL-UHFFFAOYSA-N 426.484 2.288 30 10 IEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705559518 BTJWHAYCDLMIDH-PKOBYXMFSA-N 436.578 2.129 30 10 IEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(-n2cccn2)cc1 1705601158 ZZVIWCCCPGTQRH-UHFFFAOYSA-N 441.539 2.292 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCSCCCO)CC1 1705636959 DDULAVJIYJIHGY-UHFFFAOYSA-N 436.585 2.364 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(Br)n2)CC1 1705647595 ISDIFKAJVOZRBA-UHFFFAOYSA-N 443.349 2.327 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(OC)C2CC2)CC1 1705649963 JROHRHAOMJEUET-XMMPIXPASA-N 436.560 2.045 30 10 IEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705653348 FSHQVUBEIUNWGY-RTBURBONSA-N 427.574 2.138 30 10 IEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705692743 RMURUFKQYNERJP-CHWSQXEVSA-N 425.287 2.308 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1705714172 HNRZQNYJHOIGEK-JOCHJYFZSA-N 440.573 2.462 30 10 IEEE C=CC1CCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705781550 CDCXPAWOZPULCB-UHFFFAOYSA-N 434.566 2.446 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1705861933 UBPOOKBUSFMFPJ-UGKGYDQZSA-N 446.573 2.178 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2cncn2)CC1 1705895957 YABKMRZANLCKIV-UHFFFAOYSA-N 440.939 2.409 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC)C[C@H]1CCCO1 1705931478 QSWTYAXTQLAAHF-LJQANCHMSA-N 429.546 2.423 30 10 IEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 1707826919 YWYLAZXCHZPLQE-VFNWGFHPSA-N 446.531 2.495 30 10 IEEE CCc1nn(C)c(OC)c1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1709015871 NIPIQVRMTXAESD-HNNXBMFYSA-N 427.534 2.012 30 10 IEEE CC/C=C\Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709402714 LNHNFIXZTOLIAL-CWIOURORSA-N 425.562 2.412 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1709850530 RTGFBDCIMBXMCB-VQIMIIECSA-N 426.521 2.116 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H]1C 1710218466 FMPRXUHTILIEKT-ZWKOTPCHSA-N 439.564 2.126 30 10 IEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CCO1 1712302817 AVAMFQJUFNRTKU-LMNJBCLMSA-N 441.532 2.253 30 10 IEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1722318033 ANNCNPYDBPFOFG-QGZVFWFLSA-N 436.578 2.106 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722369072 YFYIWWRPXOTRBM-ROUUACIJSA-N 428.558 2.280 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc(C3CC3)cs2)CC1 1722432609 YWORPKCZVKIWTC-INIZCTEOSA-N 430.578 2.140 30 10 IEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722462250 LLJWPNLOMJCVTG-UHFFFAOYSA-N 448.556 2.041 30 10 IEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1722554008 CVATVOAEQLZRAK-OAHLLOKOSA-N 445.998 2.370 30 10 IEEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1cc(OC)ccc1Br 1722704152 OYWQNXKWRLRDSJ-UHFFFAOYSA-N 446.309 2.496 30 10 IEEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1722852766 KNTHKQHMHFZVMP-UHFFFAOYSA-N 444.543 2.455 30 10 IEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)c1 1724282803 ZTWIXHSRVVMQKZ-GCJKJVERSA-N 427.505 2.008 30 10 IEEE C[C@@H]1N(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1726761348 IYEOAHKMKIHNPW-IJYGLTAASA-N 430.553 2.397 30 10 IEEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1727238438 GSOBCYUXIIBDCT-XOBRGWDASA-N 437.520 2.162 30 10 IEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740569948 SVTPMIBEBIEGKW-SFHVURJKSA-N 429.532 2.464 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1740715736 FCVMJNGJZJUBKE-QGZVFWFLSA-N 441.557 2.176 30 10 IEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1740900755 XYAFCSDAZRWKBN-LJQANCHMSA-N 449.577 2.070 30 10 IEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC 1740920372 BPVLWWGJKFUMFV-GOSISDBHSA-N 437.541 2.401 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740951666 KWZZNFISTZWVOW-DLBZAZTESA-N 444.584 2.483 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740964939 BESIPWNARRZLJH-QGZVFWFLSA-N 437.504 2.107 30 10 IEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1741885006 FHCDKDNNIRYMLQ-HZPDHXFCSA-N 430.578 2.169 30 10 IEEE Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)n1 1742324643 GOWJABQPUNRTLG-UHFFFAOYSA-N 426.502 2.175 30 10 IEEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1CCCO 1743678631 NAECGOYZAJGMMC-VQIMIIECSA-N 439.564 2.173 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1748831831 ZQIDKKTUNRFGHD-FQEVSTJZSA-N 443.498 2.383 30 10 IEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1CCN(C(C)=O)CC1 1748859803 MOKCMWHZFDKQGP-UHFFFAOYSA-N 435.528 2.197 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC 1748892502 PPNAJODXJSIUME-MOPGFXCFSA-N 445.564 2.332 30 10 IEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1748906482 VINMGDSQQGCAMC-QUCCMNQESA-N 444.605 2.185 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 1749015165 UOMJHLVEZOKMJP-UHFFFAOYSA-N 427.936 2.013 30 10 IEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749042931 BIHZPRKXEHWCDQ-UHFFFAOYSA-N 448.596 2.476 30 10 IEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749222234 DKVUHFLOMIQUMX-IRXDYDNUSA-N 448.593 2.445 30 10 IEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CC2(OCCOC)CCOCC2)CC1 1749336485 LVSKTLGHNLJUSF-UHFFFAOYSA-N 428.537 2.350 30 10 IEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749397510 YBJSGMQDOOUAGO-UHFFFAOYSA-N 425.541 2.439 30 10 IEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1749424146 BBCZNHAZWKORKT-UHFFFAOYSA-N 444.561 2.029 30 10 IEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)=O)CC1 1749752462 QLUGYSNLYVSOLL-UHFFFAOYSA-N 432.550 2.030 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)SC 1750148151 NQYGHHSGQKRIJX-GLJUWKHASA-N 444.561 2.289 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCn2cccn2)c1 1760126350 VWMPDLGPVLJTDM-UHFFFAOYSA-N 443.515 2.022 30 10 IEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760133595 JFMOPQRLTXJKSP-XMMPIXPASA-N 445.527 2.435 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1760154958 MOUDFRGPBFNIQN-LEWJYISDSA-N 441.601 2.304 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760185469 XQCPCPLNACIWRJ-NHCUHLMSSA-N 441.601 2.446 30 10 IEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760188841 DIWZDBMURUCNLX-LJQANCHMSA-N 441.582 2.309 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760189397 UFDARLXUNFTUJB-IBGZPJMESA-N 442.589 2.460 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCC(C)C)CC1 1760266385 XGFKWOVILUDLPJ-HSZRJFAPSA-N 431.581 2.332 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2CCOCC2)CC1 1760270314 OUWNCTIMNKQSMD-UHFFFAOYSA-N 439.535 2.400 30 10 IEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760278223 NMVCOGVYHBFMJK-UHFFFAOYSA-N 448.552 2.375 30 10 IEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760281997 UCQSRVPAQMQFGB-QGZVFWFLSA-N 434.610 2.169 30 10 IEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1760450344 JEHJHOMCCYYFAR-SJORKVTESA-N 428.624 2.495 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1760501561 VPZHVKLCRGFKPI-IBGZPJMESA-N 447.605 2.494 30 10 IEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1760516299 KXRQQYHXABUPTG-UHFFFAOYSA-N 425.537 2.494 30 10 IEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1 1760532843 HAELYISNPUQTLA-MSOLQXFVSA-N 432.546 2.018 30 10 IEEE CC(C)Oc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1761298614 FKUBBZRVADHWBH-LAUBAEHRSA-N 447.536 2.458 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N1CCOCC1 1763744748 FDYDCPBYYDZGQD-MOPGFXCFSA-N 438.580 2.106 30 10 IEEE CCCN(C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1765958157 VXPCCUQHWVGXCY-KRWDZBQOSA-N 425.537 2.082 30 10 IEEE CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1766390589 QIJNOTYIOCCSBL-BMRADRMJSA-N 448.325 2.029 30 10 IEEE CN(CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1)CC(F)(F)F 1767357151 JAFFSWSIMRRMBT-UHFFFAOYSA-N 434.470 2.243 30 10 IEEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768026932 JZGYYQKGMJKXLI-YGCDDZCOSA-N 440.504 2.236 30 10 IEEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccs1 1768997778 NOKHUDDFZNFLLW-GFCCVEGCSA-N 434.323 2.280 30 10 IEEE N#Cc1cccc(OC2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCO)CC2)c1 1771531950 JVYJPALGATUGMZ-FQEVSTJZSA-N 438.532 2.311 30 10 IEEE CCc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1 1851523929 CEASNKBVBVVEIF-NRFANRHFSA-N 447.539 2.234 30 10 IEEE CN1CCN(CCCNC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CC1 1851879179 CDBHSJGKLFQLNP-DEOSSOPVSA-N 445.567 2.399 30 10 IEEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)Nc3c(C#N)cnn3C)c2C)C1 1852652399 KFCQHZPWDFKMGD-CYBMUJFWSA-N 437.426 2.326 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F 1853114855 WUCHPIBYWPFEHA-NWDGAFQWSA-N 439.900 2.127 30 10 IEEE N#Cc1cccc(OCC2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCCS4)C3=O)CC2)n1 1854439920 RRFMOZXGWZSTFL-MOPGFXCFSA-N 428.558 2.457 30 10 IEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccc2C(=O)O)cc1F 1862640474 PFCTZPJKRRPNJZ-VOJFVSQTSA-N 429.400 2.492 30 10 IEEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 1870106769 FHEBUUCCVWUAAS-GFCCVEGCSA-N 434.843 2.475 30 10 IEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874277419 RQIURDCPQQKMHF-OOXYOOLHSA-N 445.545 2.447 30 10 IEEE C=CCn1c(C(=O)N(C)CCO)cc2c(NCc3ccc(OC)c(OC)c3)ncnc21 1875232541 NOUJWWQCOYLNNN-UHFFFAOYSA-N 425.489 2.311 30 10 IEEE Cc1ccc(O[C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1C 1889421469 JIGQLQPBTGMNFO-QFIPXVFZSA-N 427.589 2.329 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)CC1 1890175834 YLASAPBJCMSZOT-JOCHJYFZSA-N 427.589 2.411 30 10 IEEE C=CCN(CC(=C)Br)S(=O)(=O)c1cc(Br)cnc1NN 1916893569 RDGAEIIUDAPPQH-UHFFFAOYSA-N 426.134 2.215 30 10 IEEE C=CCN(CC(=C)Br)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1962793752 DJCAGRCKNYFMEX-ZDUSSCGKSA-N 439.372 2.238 30 10 IEEE CC(C)(C#CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2023963113 ZMLGGTOSPHMAPH-UHFFFAOYSA-N 439.553 2.171 30 10 IEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060633795 RPMRRLICBQAWTH-ALYAQQCSSA-N 436.358 2.419 30 10 IEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NC3CC(B4OC(C)(C)C(C)(C)O4)C3)nn2)C1 2124543827 WVUQYHPERKUXKB-UHFFFAOYSA-N 447.345 2.425 30 10 IEEE C=C(CS(=O)(=O)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435094 KOBBIPJKYVQAFS-CQSZACIVSA-N 430.376 2.349 30 10 IEEE CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406027 UYTNKVGGGLPHJV-VXGBXAGGSA-N 440.375 2.137 30 10 IEEE CC(C)(C)OC(=O)N1CC(O)(CCNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254806125 OLIHWFLJELBRBK-UHFFFAOYSA-N 437.321 2.304 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2255540180 JXFNJFQMJTUDOJ-CQSZACIVSA-N 433.314 2.052 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)C[C@@H]2[C@H]1CO 2255823363 UFHOPXWWYWKKEO-HRCADAONSA-N 436.358 2.299 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256015318 UWUZQNFVSALRMD-CJNGLKHVSA-N 432.326 2.334 30 10 IEEE C[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)C(F)(F)F 2256034246 HTOBTKFYNSZERT-WBMJQRKESA-N 427.276 2.461 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2258956218 CUXVPISIDQKXHM-DLBZAZTESA-N 436.358 2.305 30 10 IEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267120239 HILUSMVPOJYKOT-AWEZNQCLSA-N 448.373 2.095 30 10 IEEE Cn1nc(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267137879 QANKZILXAAUNSR-GASCZTMLSA-N 448.373 2.143 30 10 IEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267189068 VMKZSJXXANUTNO-PKOBYXMFSA-N 438.381 2.217 30 10 IEEE Cc1c(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529527 MONVEVWUBGMVLN-CABCVRRESA-N 448.373 2.203 30 10 IEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)n1 2267547772 NHQSEZZENJNMNB-FUHWJXTLSA-N 440.353 2.228 30 10 IEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267580377 FYOJGXRXJSHVQL-QHCPKHFHSA-N 446.353 2.399 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2268715144 OKDVPLFTYJRMIT-HNNXBMFYSA-N 446.353 2.008 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268717203 JJXWGAJLMMLDAG-HUUCEWRRSA-N 447.341 2.249 30 10 IEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271396306 WDBHDRIDFRPYMG-GOEBONIOSA-N 446.357 2.294 30 10 IEEE C=CC[C@@]1(CN)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2287794722 WQPOHJPCAVDFBC-QFIPXVFZSA-N 433.574 2.256 30 10 IEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2296228084 VTKIQICMVBFETH-XLIONFOSSA-N 439.350 2.387 30 10 IEEE C[C@H](C#CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2318677422 MYGGFBSGYVZXLJ-CYBMUJFWSA-N 433.289 2.375 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2337199926 AZNLMQRJBMDZOW-OAHLLOKOSA-N 448.373 2.143 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H]2COC[C@@H]12 2345742200 XPBGJURKENRMLO-IAOVAPTHSA-N 449.332 2.248 30 10 IEEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 111047883 CPEABDVHDRWBFD-IBGZPJMESA-N 439.537 2.308 30 10 IEEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 409547240 CNFKSVURRZKOQS-DOMZBBRYSA-N 432.340 2.369 30 10 IEEE C=CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1nc(C(=O)OCC)cs1 409826886 RBMLPCSWJVNGQN-ZUOKHONESA-N 434.518 2.340 30 10 IEEE COC(=O)CCc1nnc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)s1 432960900 MDCJQOOMNFDASJ-UHFFFAOYSA-N 431.293 2.079 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(Nc4cc(OCC)ncn4)CC3)cc2C1=O 466607595 MPBMSVVBHIQVLN-UHFFFAOYSA-N 435.484 2.374 30 10 IEEE CN(C)CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCS(=O)(=O)C1 467638909 GQHGPAVOOHGLQB-LJQANCHMSA-N 442.541 2.327 30 10 IEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCc2ccc(O)c(F)c2)CC1 468403448 XDSHOQCNMQYSFG-UHFFFAOYSA-N 431.489 2.259 30 10 IEEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 475310981 GEPVRNOJRAWTSM-HXUWFJFHSA-N 426.542 2.225 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(C(=O)N=c4cc[nH]cc4)c3)cc2C1=O 479637564 IKBSREBODWQBBZ-UHFFFAOYSA-N 440.459 2.468 30 10 IEEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481026946 UBOTZWVILOEUAL-HNNXBMFYSA-N 448.495 2.311 30 10 IEEE CCCc1c(NC(=O)NCCn2cnc(C#N)n2)cnn1-c1cc(F)c(OC)cc1F 483429733 JPCVACHEXUXBSF-UHFFFAOYSA-N 430.419 2.396 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501528126 OCVHMJIPVBECLH-FCHUYYIVSA-N 448.571 2.061 30 10 IEEE CCCN(CCC)[C@H](C)C(=O)N1CCOC[C@]2(CC[C@H](CN=c3ccc(C#N)c[nH]3)O2)C1 503716947 OAEXMUPOACDYMM-ZYKOEDHHSA-N 443.592 2.074 30 10 IEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508861505 CWUPCZULMVBLSN-HNNXBMFYSA-N 442.911 2.228 30 10 IEEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 508909215 YGHNVQRLQDCBBD-AWEZNQCLSA-N 425.459 2.492 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1C[C@@H]1CCCO1 514329468 GWYRMLHGQQTORA-IBGZPJMESA-N 439.581 2.043 30 10 IEEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)cs1 516372263 CDWJWLIZNFZWJS-UHFFFAOYSA-N 438.578 2.254 30 10 IEEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 523348185 IZHIJTNSOXIWEF-FQEVSTJZSA-N 445.504 2.317 30 10 IEEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(COC)c3)c2=O)cn1 525266115 WHSAAPMWVULRJN-UHFFFAOYSA-N 448.548 2.134 30 10 IEEE Cc1cc(C)nc(SC2=C(N3CCN(C)CC3)C(=O)N(c3ccccc3C#N)C2=O)n1 526699409 GXQGFQLUNMXXHX-UHFFFAOYSA-N 434.525 2.090 30 10 IEEE COCCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C)c(OCC(=O)O)c1C 543165143 REUSOPPVGNXPRQ-UHFFFAOYSA-N 434.470 2.465 30 10 IEEE COc1ccc([C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)cc1 549111159 QAUDBUGWLMPXDK-JOCHJYFZSA-N 429.542 2.004 30 10 IEEE COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F 550124096 KCLOURUKAOKEFC-IFXJQAMLSA-N 438.459 2.195 30 10 IEEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 568698433 LHWKMQHGVMXPIX-MJGOQNOKSA-N 432.546 2.170 30 10 IEEE N#Cc1cncc(S(=O)(=O)Nc2cccc(I)c2C(=O)O)c1 569866740 QWBPZSAXGGEEAW-UHFFFAOYSA-N 429.195 2.057 30 10 IEEE CSC[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 570360001 JYKMRAGPBDMOQO-SLFFLAALSA-N 443.569 2.440 30 10 IEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)CC1 607361458 WUSPNXLMCUECII-UHFFFAOYSA-N 445.541 2.096 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 642715010 VOBQLZKOHPETJR-INIZCTEOSA-N 437.591 2.201 30 10 IEEE NS(=O)(=O)c1ccccc1N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 682370618 HQYKDKMMRWCAIW-UHFFFAOYSA-N 439.459 2.406 30 10 IEEE CC[S@](=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 743119757 WQAVRISXLBRLGN-WRINRREJSA-N 428.580 2.170 30 10 IEEE C[C@H](Oc1cccc(CO)c1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 754402324 IFCUYMPLROAQNM-DCBSDEPNSA-N 431.514 2.398 30 10 IEEE Cc1c(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccc(F)cc2)cnn1C 758069397 OXUOVJYUCJQUOA-GOSISDBHSA-N 446.552 2.067 30 10 IEEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760400298 IZMCNELQUOGBQI-IBGZPJMESA-N 448.520 2.274 30 10 IEEE Cn1cc([C@@H](O)C[C@@H]2CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 766850675 PEDHMLYLHAXAKC-RDJZCZTQSA-N 439.335 2.331 30 10 IEEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 767697265 BJCYELSIZIKKNV-KRWDZBQOSA-N 438.546 2.064 30 10 IEEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 774210713 BRORIYAUCFWVAM-MSOLQXFVSA-N 441.594 2.292 30 10 IEEE C#CCN(C(=O)NCC1(c2ccccc2Br)CC1)[C@@H]1CCS(=O)(=O)C1 774226746 MQYZXCKQJPCJER-CQSZACIVSA-N 425.348 2.313 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)OC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2C1=O 774369943 JCYHDEHPMNKARQ-HNNXBMFYSA-N 430.457 2.261 30 10 IEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1 778447588 ZKEGUAFWHGOKEP-IBGZPJMESA-N 428.533 2.297 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2c(F)cccc2Cl)cc1 785146629 YWPHMKVSJOPAIC-KRWDZBQOSA-N 439.848 2.462 30 10 IEEE C=CC[C@@]1(C(=O)N2CCN(c3cc(OC)ncn3)CC2)CCCN1C(=O)OC(C)(C)C 790887451 AISKKZSRLVABOK-QFIPXVFZSA-N 431.537 2.480 30 10 IEEE CC1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCOC2)O1 794315052 UMODBVFUWARPCI-QFIPXVFZSA-N 449.573 2.082 30 10 IEEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC1(CC#N)CC1 797426378 SXMISUDOHBYGKJ-SFHVURJKSA-N 443.573 2.388 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1CN1Cc2ccc(Br)cc2C1=O 802732312 BZPOSYUHYDVMRK-CYBMUJFWSA-N 427.306 2.235 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCc3cccc(Cl)c3)cc2C1=O 803053346 WALTYSOVYFCIAQ-UHFFFAOYSA-N 432.885 2.424 30 10 IEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 809926018 HADSUSHXLJQCMX-IAGOWNOFSA-N 437.541 2.014 30 10 IEEE N#Cc1ccccc1NC(=S)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 915996347 WUDFCSUGASKETH-UHFFFAOYSA-N 443.554 2.253 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)n(-c3ccccc3)c2C)c1=O 916194311 SWHSNOKJQMUGHW-UHFFFAOYSA-N 444.560 2.285 30 10 IEEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCCC(=O)c3ccccc3)CC2)o1 919498230 UMCBWNAPPSUSDH-UHFFFAOYSA-N 438.484 2.490 30 10 IEEE CC(=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccccc1O 1084177324 SOBWHIMCHFLSQX-UHFFFAOYSA-N 440.485 2.484 30 10 IEEE COc1ccccc1C=NNc1nnc(SCC(=O)c2ccc(OC)c(OC)c2)n1N 1084379974 OMTBOPFKXZECDE-UHFFFAOYSA-N 442.501 2.439 30 10 IEEE COc1cccc(C[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)n2nnnc2C)c1 1134277590 CJJSJHAVONUCCG-FGZHOGPDSA-N 432.484 2.246 30 10 IEEE N#Cc1ccnc(N2CCN(C(=O)c3cc(I)ccc3N)CC2)c1 1141312695 MOARSLSDCGTZEJ-UHFFFAOYSA-N 433.253 2.102 30 10 IEEE CN1CCC(N(C)CCN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1144204273 MGPNHRWERJLALT-UHFFFAOYSA-N 448.409 2.241 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(Br)cc1 1159627526 OBJNSXUAMNYETN-SFHVURJKSA-N 449.326 2.421 30 10 IEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(Cc3ccc(Br)cc3)C2)c1 1161866250 LBRWECLYJBESBQ-UHFFFAOYSA-N 448.342 2.300 30 10 IEEE C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176431411 DGENKWSEZQTYHI-FHJLPGHOSA-N 439.537 2.463 30 10 IEEE CCCCCn1nc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c2ccccc2c1=O 1264321336 OWFXFZMZJRTKCN-UHFFFAOYSA-N 435.488 2.270 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCOC1 1267794843 KUQMOBZQSCZNAC-OAQYLSRUSA-N 426.477 2.399 30 10 IEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286312688 YIVYHYSZAZPJGD-IBGZPJMESA-N 428.581 2.306 30 10 IEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286390221 YQUPCTOAQVRQLA-OAHLLOKOSA-N 442.570 2.034 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1286414972 GYGRWPJQDHWVFC-DHIUTWEWSA-N 433.556 2.494 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)c1 1286426308 RAMMHOUXNRSDOI-UHFFFAOYSA-N 440.511 2.423 30 10 IEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1286496688 IIUYIJSGXKUMDA-FQEVSTJZSA-N 441.601 2.481 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286610099 XELJXNVGZGHMQZ-UHFFFAOYSA-N 434.548 2.282 30 10 IEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCOCC2)CC1 1286636472 CAKUMPRVBPIJJW-GOSISDBHSA-N 425.537 2.050 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1286687913 UINYSXVXUMBASP-INIZCTEOSA-N 435.532 2.250 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1286781814 BMEKFOHXAAJVMD-UHFFFAOYSA-N 438.557 2.221 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CN2CCN(CC)CC2)C1 1286803634 FITKETBJRPSKEV-RTWAWAEBSA-N 441.624 2.339 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2F)C1 1286808996 FYHFYUITHDJIDL-MSOLQXFVSA-N 434.537 2.457 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1286814533 UEEXOZPDAZKAMW-INIZCTEOSA-N 449.552 2.451 30 10 IEEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1cc(C)c(C#N)cn1)C2 1288828763 OKJBFEDSAZPEDQ-ZMPRRUGASA-N 428.489 2.180 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCS(=O)(=O)C[C@H]1C 1289155813 HRYBNOKDAONDAQ-GFCCVEGCSA-N 445.335 2.134 30 10 IEEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289201644 QITVSWRXEOUBDR-GDLVEWKHSA-N 447.738 2.267 30 10 IEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@]2(CCCOC2)O1 1291217716 HDLYEEZOIYJMKM-UZUQRXQVSA-N 438.532 2.069 30 10 IEEE CN(C)C(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C(C)(C)C1 1295683562 NFTVIOBRYMIOLD-WCCYLALTSA-N 447.580 2.378 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1300458997 OOLFFNOPYWAWFO-GOSISDBHSA-N 438.557 2.100 30 10 IEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1cccnc1N1CCOCC1 1300475192 FWRCMGNUFPEUII-UHFFFAOYSA-N 448.527 2.215 30 10 IEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300504896 VKTFDSRYYPDPLK-SOLBZPMBSA-N 432.521 2.279 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)Oc1ccccc1OC 1300506618 WOWMOADOIGAQIE-GOSISDBHSA-N 444.495 2.474 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCSCCCO 1300578978 LAQCZVDDHYGPBL-UHFFFAOYSA-N 436.541 2.172 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301240597 DDMYDXCYRLCBOM-HSZRJFAPSA-N 441.532 2.271 30 10 IEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)CC1)C(C)C 1301367522 PQIHSOVWSXQDBK-PMACEKPBSA-N 435.638 2.439 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CCOCC2)C1 1301544293 WFCOKOLAYKJYMY-RXVVDRJESA-N 427.549 2.456 30 10 IEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301615603 QIGVHJSGYOTQAL-IBGZPJMESA-N 425.562 2.495 30 10 IEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1301617276 AXVCUOHMFYEPLB-UHFFFAOYSA-N 442.589 2.352 30 10 IEEE CC1(C)SCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1303981501 KEBURYIOZBHDTM-HBUWYVDXSA-N 427.571 2.154 30 10 IEEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1309395966 CYOUGDRVIRFTIF-RTWAWAEBSA-N 427.526 2.231 30 10 IEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1314348320 GPWJVPZZHQQRPE-HXOBKFHXSA-N 441.532 2.274 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1316528696 YWOXVLACAZPCGS-QFBILLFUSA-N 448.480 2.263 30 10 IEEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CC1CCN(S(C)(=O)=O)CC1 1349066913 KTTDWYFOBLYJGZ-UHFFFAOYSA-N 425.503 2.177 30 10 IEEE COCCn1cc(N2C[C@@H](C(=O)N3CCSC3=Nc3ccccc3OC)CC2=O)cn1 1349654469 AIKGZKUEQFRFHI-HNNXBMFYSA-N 443.529 2.154 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C(C)C)N1CCOCC1 1358979456 NIHPTOBNFOVMCX-OFNKIYASSA-N 449.555 2.220 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1359002751 LJHIWKPYAGPTKI-UHFFFAOYSA-N 439.488 2.042 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)SC)CC1 1359041666 DXFJSSZNBJJZBX-JOCHJYFZSA-N 449.621 2.038 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C2CC2)CC1 1359042003 ODLHPQZUDVOJRV-UHFFFAOYSA-N 439.516 2.272 30 10 IEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359049274 LRKGJKZHMSLCSP-LQWHRVPQSA-N 438.594 2.143 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccccc2)C1 1359313741 QQWKFSBEWQATCX-ZIFCJYIRSA-N 433.578 2.473 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1359319720 DYQCKMQZKREAOC-MJGOQNOKSA-N 426.521 2.492 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCSCCCO 1359473032 VISKDEFDHCAXHS-AWEZNQCLSA-N 427.534 2.305 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1360469333 ANQLJWCLESLFGR-AWEZNQCLSA-N 434.447 2.144 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCc2ccccc21 1360680702 HJFUJMJAKPDPEU-UVFQYZLESA-N 432.525 2.060 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1 1452417323 JRAKLIWSHSKYAZ-VXKWHMMOSA-N 426.538 2.196 30 10 IEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(CO)(CO)C2)c1 1454141431 BHDJUOQVLZBUAA-UHFFFAOYSA-N 425.510 2.106 30 10 IEEE Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1465127093 VKEMNIPGFSKQDW-UHFFFAOYSA-N 444.488 2.421 30 10 IEEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1470741001 WCXVHISIXSTKMR-CYBMUJFWSA-N 431.352 2.152 30 10 IEEE C[C@@H](CC(=O)NCc1sncc1Br)/N=C1/NS(=O)(=O)c2ccccc21 1472021795 BXZYSXCPFVGVJO-VIFPVBQESA-N 443.348 2.039 30 10 IEEE COC(=O)C1(CCCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1472247277 PEGGTUQFULEQEB-HNNXBMFYSA-N 435.546 2.134 30 10 IEEE C#C[C@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1ccc(Br)cc1 1477428469 ZOANSZNWEDWUOC-INIZCTEOSA-N 432.322 2.207 30 10 IEEE N#CC1(CNC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCOCC1 1478012250 HKQXAXWOQIRZTH-UHFFFAOYSA-N 440.591 2.085 30 10 IEEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1500642413 QTLOPGRJBCZFQV-QGZVFWFLSA-N 426.521 2.212 30 10 IEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1501431813 HGIICWVPHCODSE-FQEVSTJZSA-N 440.548 2.458 30 10 IEEE CCN(CCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1502185517 HTNJNEUWXWNTOI-UHFFFAOYSA-N 427.601 2.372 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1)OC 1504579319 IEVBQPKOEKOWGU-LJQANCHMSA-N 429.521 2.313 30 10 IEEE COC[C@@H](F)Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504607258 JQXPXZFEKFUAJN-AEFFLSMTSA-N 442.543 2.372 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1505026546 AMCSICJATBQXNC-GOSISDBHSA-N 439.545 2.461 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1507514668 DDXWUTNVPHUHDZ-QZTJIDSGSA-N 442.539 2.179 30 10 IEEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1507695482 YPNMAWUDKWCRCB-LJQANCHMSA-N 430.574 2.356 30 10 IEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1507774372 CSIYTPMSTKDOLD-HNNXBMFYSA-N 447.337 2.475 30 10 IEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@@H]2C1 1507835885 OZQKCPRELXBQLA-GOSISDBHSA-N 425.537 2.193 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1513168728 CHESXPVDJMYJSY-MRXNPFEDSA-N 439.564 2.472 30 10 IEEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1513216573 FJKVWFZMRPTOQI-NQIIRXRSSA-N 449.552 2.323 30 10 IEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1516357876 HTKROOQGMNKHBY-LJQANCHMSA-N 431.500 2.374 30 10 IEEE C=CCN(C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1)[C@@H](Cc1ccccc1)C(=O)OCC 1522959926 RAGOXYWWYSJGOV-PMACEKPBSA-N 430.545 2.449 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ncccc3Br)C2=O)cc1 1537890750 ZHHWMKINGXNSOM-OAHLLOKOSA-N 442.273 2.237 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1539003478 DHDWWPBZNHFXMZ-GVDBMIGSSA-N 430.553 2.334 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1cccnc1N1CCOCC1 1539023623 PCYSAFFSKJJBCU-INIZCTEOSA-N 437.573 2.372 30 10 IEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539489834 OVLRNFBLCZMRGI-KRWDZBQOSA-N 427.578 2.128 30 10 IEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540004757 FWGLYIDZVRXZSK-FQEVSTJZSA-N 430.597 2.273 30 10 IEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540039571 BMHUSCPGXXOKTB-UHFFFAOYSA-N 444.543 2.450 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccccc2)CC1 1540867623 BNWDHJCKCNOFME-UHFFFAOYSA-N 433.560 2.298 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C1 1540889429 MBNKLYBARZCUTB-HXUWFJFHSA-N 439.608 2.456 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1540889577 PJPODQAXPRFLAC-MRXNPFEDSA-N 444.536 2.348 30 10 IEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C)CC1 1540907286 RAUQBNSMKWZLDR-UHFFFAOYSA-N 427.530 2.486 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1541111658 OXEPTVJSVHSZOS-HOTGVXAUSA-N 429.550 2.179 30 10 IEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1541744944 WNKMWQURIQXWBJ-RTWAWAEBSA-N 441.532 2.252 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1541803348 GPBTTZBYTKUXDK-NXHRZFHOSA-N 428.512 2.394 30 10 IEEE CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCCOC)CCOC1 1547921618 NYEZNXSREGVKHM-NZQKXSOJSA-N 441.532 2.416 30 10 IEEE COc1cccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c1 1555032513 AHDVQNKPVAGVHK-IRXDYDNUSA-N 426.521 2.472 30 10 IEEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1555410730 GIMIHSOAUXKRAO-FQEVSTJZSA-N 440.548 2.221 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1557363562 XRKSRKXYMJEDST-IBGZPJMESA-N 430.526 2.020 30 10 IEEE CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)C1 1558633896 MYWIHMRXTXAMEI-UHFFFAOYSA-N 428.485 2.394 30 10 IEEE N#Cc1cn(C2CN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)C2)c(=O)nc1O 1558805268 IVRALOVQIQCIRW-UHFFFAOYSA-N 434.839 2.402 30 10 IEEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@@H]1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1558856510 COALJBONPNUFRD-BOKHPPTCSA-N 446.548 2.446 30 10 IEEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1565655308 KJKYBHVOFXLFDZ-LEWJYISDSA-N 432.480 2.187 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 1584171461 SFPAMHSTXZTNFB-NVXWUHKLSA-N 445.463 2.185 30 10 IEEE N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1F 1586804782 AGXYAVLEYWRFKO-UHFFFAOYSA-N 427.379 2.261 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1587554913 AGWXMBRRWJCIOI-IAGOWNOFSA-N 444.967 2.040 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1587580212 NQIHMSJLWCNEGQ-WYIRRWHOSA-N 432.546 2.340 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN(C)CC(F)(F)F 1587668113 STFQXJQYSNCNEK-CYBMUJFWSA-N 428.484 2.222 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1587683424 JPBKOZVMGRMJRT-YESZJQIVSA-N 432.569 2.423 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1587738986 NDTDYVBIQIDASC-GOSISDBHSA-N 438.532 2.322 30 10 IEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1588983544 AFTMOBTYUYUAMG-NVXWUHKLSA-N 444.536 2.137 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1589088606 BIGQKTXPZIZFDV-INIZCTEOSA-N 439.632 2.014 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2CC)C1 1595743465 BCAIROXEYCOOGL-QGZVFWFLSA-N 441.580 2.088 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)nc2)C1 1595754838 QNICFQIUQYDFOG-ZJOUEHCJSA-N 442.564 2.293 30 10 IEEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1603038888 KIESFPBJTQGEAX-LAJNKCICSA-N 429.546 2.223 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1611291868 HEZSXBBCKGRPTB-OAHLLOKOSA-N 443.529 2.369 30 10 IEEE Cc1ccoc1C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1611815993 VQVRXBVZEYKBIJ-IBGZPJMESA-N 445.483 2.267 30 10 IEEE C=CCN(CC=C)[C@@H](CNC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(C)C 1615883976 LPPJTCMHBQOZEK-ZDUSSCGKSA-N 426.447 2.141 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cccc(C)c2)CCOC1 1616141782 GWKPQACNAUWPRF-FDDCHVKYSA-N 440.548 2.265 30 10 IEEE CN(CC(=O)N[C@@H](CC#N)C(F)(F)F)S(=O)(=O)c1ccc(Br)cc1 1616998487 QPGQECJGJLOZHF-NSHDSACASA-N 428.230 2.030 30 10 IEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS2)CC1 1619548049 DJIUHVVZVIDDLK-GOSISDBHSA-N 426.546 2.007 30 10 IEEE COCCOc1ncccc1Cn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1620041795 TZTZQRNPGPGOLF-UHFFFAOYSA-N 433.516 2.472 30 10 IEEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1620070353 HHJFSKJFKYLSIT-JPYJTQIMSA-N 441.532 2.254 30 10 IEEE C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)c1ccc(F)cc1 1622167779 PBFOPSXEYUVQOI-CQSZACIVSA-N 429.242 2.479 30 10 IEEE C=CCC1(NC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1622917536 UGKBSOOJYBBQEL-UHFFFAOYSA-N 427.498 2.093 30 10 IEEE C=CCc1ccc(OCC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)c(OC)c1 1626314210 YIADRPXSPAHBBV-GOSISDBHSA-N 432.517 2.063 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN1C(=O)c2ccccc2C1=O 1628085846 DRKRNUHRSRPODX-SFHVURJKSA-N 427.501 2.486 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1628900683 JWXQDQNWXFTFAL-WMZHIEFXSA-N 446.523 2.297 30 10 IEEE Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc21 1632533423 XBHADYUWZVOXTO-AAEUAGOBSA-N 438.410 2.476 30 10 IEEE C[C@H](CC(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 1638403720 BYBHWIVXXOQQGT-BZUAXINKSA-N 449.573 2.473 30 10 IEEE COc1cc(C#N)ccc1OCCCC(=O)NC1CCN(c2nc(C)cc(O)n2)CC1 1639128037 YYLOPADFNJPWIM-UHFFFAOYSA-N 425.489 2.315 30 10 IEEE C#CCNC(=O)CN1CCN(c2cc(C)nc(-c3ccc(Br)cc3)n2)CC1 1639988887 YBWXIBITLSBXMC-UHFFFAOYSA-N 428.334 2.086 30 10 IEEE C#Cc1ccc(C(=O)N2CCN([C@@](C)(CO)c3ccc(Br)cc3)CC2)cn1 1648335293 XALZLDWPLAPIHF-NRFANRHFSA-N 428.330 2.491 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1649427815 GROMHZMFGRDYLD-FUHWJXTLSA-N 428.537 2.478 30 10 IEEE C#CCN1CCC(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)CC1 1652172836 JRHQSQKPNSFBRB-KRWDZBQOSA-N 427.574 2.458 30 10 IEEE C#Cc1ccc(NC(=O)CCN[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)cc1 1653439296 RHUMHXNBLISYGJ-HSZRJFAPSA-N 442.537 2.468 30 10 IEEE CC(C)(C)OC(=O)NCCN(CC(=O)NCC#C[C@@H]1CCCCO1)C(=O)OC(C)(C)C 1653544842 SDZCGSOCPUMVBN-KRWDZBQOSA-N 439.553 2.437 30 10 IEEE COCCC[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1 1672585926 UQDPTRFXZBINIH-OAHLLOKOSA-N 445.907 2.251 30 10 IEEE COc1ccc([C@H](Cc2ccccc2)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1683068638 HDLUMRNXWWAESG-FQEVSTJZSA-N 433.468 2.112 30 10 IEEE C#C[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1)C1CCOCC1 1684037366 XZZOMLOHXKMUPX-RXVVDRJESA-N 427.545 2.299 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1689926055 HJQGTOKCXZNIMO-AUSIDOKSSA-N 449.603 2.441 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccc(F)c1)N(C)C 1690003116 DKJJEZKCLFIAAT-XUZZJYLKSA-N 439.535 2.445 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2conc2COC)CC1 1690132635 UTGAOUYYSSQFOI-UHFFFAOYSA-N 436.516 2.103 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](F)COC)CC1 1690148291 BQJPSFOCNSRKMI-MRXNPFEDSA-N 449.477 2.097 30 10 IEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OC)C1 1690223037 CFQUSXUOGJEJLX-INIZCTEOSA-N 445.325 2.445 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690239538 YDCCZOOIXXFNIG-XLIONFOSSA-N 449.552 2.218 30 10 IEEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1690341103 FKUDSNINLNDELF-AWEZNQCLSA-N 441.923 2.300 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1690714531 OBCMWJBTRDBJCF-HKUYNNGSSA-N 445.589 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690723009 FAVCNSGSONMKHK-UHFFFAOYSA-N 431.562 2.448 30 10 IEEE CC(C)Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1692248203 SZFLTPXITNFNOJ-MKSIGINJSA-N 440.504 2.174 30 10 IEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1692571494 DJJQXHKLFXEXLJ-HZPDHXFCSA-N 448.618 2.475 30 10 IEEE CCSc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1696534497 HYEWOIVMFWTFIC-IRXDYDNUSA-N 447.586 2.069 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705589860 WSGQVOMDEJLTNV-IPMKNSEASA-N 449.621 2.193 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1705596555 HYOXWJZGRMACFI-FQEVSTJZSA-N 447.543 2.270 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(=O)NCC)CCC2)CC1 1705636743 WCJXPSGRANIXOG-UHFFFAOYSA-N 441.967 2.055 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCC2(C)C)CC1 1705650890 BQPBELJQERJAQK-LJQANCHMSA-N 440.592 2.193 30 10 IEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705660401 URWLBKLROUPDDL-JKSUJKDBSA-N 448.593 2.089 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1705683235 BPJCNDIGALRMDH-UHFFFAOYSA-N 447.381 2.420 30 10 IEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705684761 AVJOWBZJGQUKJL-CYBMUJFWSA-N 426.340 2.180 30 10 IEEE C=CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C)C1CC1 1705855742 RTHKQUCCPDXJPX-UHFFFAOYSA-N 428.562 2.396 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1705861932 UBPOOKBUSFMFPJ-SIKLNZKXSA-N 446.573 2.178 30 10 IEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCC2)C1 1705896028 ZXZXCFMOBPAOOQ-UHFFFAOYSA-N 435.326 2.097 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2OC)C1 1705922531 OBZKHPRZHMZNDV-KZNAEPCWSA-N 441.532 2.487 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705945570 NOYNOPPNLSFLOI-UXHICEINSA-N 434.654 2.306 30 10 IEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1706240427 AXUVRWLZRBFHFU-LJQANCHMSA-N 440.548 2.364 30 10 IEEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1711205470 FEZHWJUMULNFFN-UHFFFAOYSA-N 447.492 2.380 30 10 IEEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)C[C@H]1O 1711459681 DYSKGEASHAUPLC-RTBURBONSA-N 439.516 2.136 30 10 IEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccccc2F)CCO1 1712882689 FRWJMYHTDUZVGY-QGZVFWFLSA-N 435.463 2.426 30 10 IEEE N#CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1712885923 CRBCJUHUVWGMGJ-UHFFFAOYSA-N 433.516 2.196 30 10 IEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722307234 SCAWVSJRFFWOCG-SFHVURJKSA-N 437.548 2.472 30 10 IEEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722345512 GENSSHVBDUKOTN-ICSRJNTNSA-N 443.573 2.227 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1722366003 GURDEIFWYXVEKV-RTBURBONSA-N 428.558 2.107 30 10 IEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722371157 UITRHBIULHTJEV-VQTJNVASSA-N 426.542 2.470 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722458396 IIUIGCLNGNWRDZ-GHTZIAJQSA-N 444.649 2.291 30 10 IEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722603278 HWBJMXMHAAOUTM-MSOLQXFVSA-N 425.599 2.294 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(Br)s1 1722685133 RKKDFNNYHJNZKM-GFCCVEGCSA-N 426.340 2.238 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722694681 DSKIAFNAXDJWPW-HKARXFIJSA-N 441.532 2.029 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(CCC)C(=O)C1 1722696181 DJSIUURCCBOEAJ-UHFFFAOYSA-N 430.940 2.349 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCCC)C1 1722716751 XPNPHKNHVXYJCI-KRWDZBQOSA-N 427.505 2.024 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@H](C)C2)C1 1722717364 ADSAWTKVMDELHW-NCXUSEDFSA-N 438.594 2.167 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCc1ccco1 1723774943 OHNXZKVAWBWBQY-OAHLLOKOSA-N 436.472 2.364 30 10 IEEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC[C@@H]1C 1730407736 RQDRLMIATYIBHE-WGGBDISSSA-N 441.532 2.395 30 10 IEEE C[C@@H]1CCO[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1731142237 YVHXYFMERXOURE-DFBDCSAJSA-N 446.552 2.203 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740622508 YZYUWNAPDBOPKB-GUDVDZBRSA-N 445.589 2.116 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1cccs1 1740646015 OFCJWZXWEQZKKY-SJORKVTESA-N 433.603 2.292 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N(C)C 1740655662 FFMOAOAQTPVDHO-UXHICEINSA-N 433.622 2.010 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740720578 DNWZTCJWYLODKU-LJQANCHMSA-N 426.590 2.371 30 10 IEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(CCO)CCc1ccccc1 1740736252 HEVCKRJUQQKTMX-UHFFFAOYSA-N 436.354 2.366 30 10 IEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C)c2)CC1 1740840411 YEABCOFFRDCFDC-HXUWFJFHSA-N 445.589 2.370 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1740958560 QMRGVUPYGSQFQG-PGRDOPGGSA-N 429.496 2.059 30 10 IEEE CC(C)NC(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1741691806 QNNGZWYLWGCRLQ-FCHUYYIVSA-N 432.569 2.363 30 10 IEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1742651015 DMBOVCGJOAVECU-VQTJNVASSA-N 435.532 2.343 30 10 IEEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)cn1 1746347875 HVFRUCLFKYTZSZ-UHFFFAOYSA-N 434.548 2.392 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCOC2)c1 1748692890 REEIYDYTQFBIEJ-SFHVURJKSA-N 433.516 2.161 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2ccccn2)c1 1748693147 YXUUKNJGCULIET-UHFFFAOYSA-N 440.511 2.373 30 10 IEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1748732329 YMAFWQPSHDBRIJ-QAPCUYQASA-N 435.525 2.019 30 10 IEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@H](C)CC 1748788387 BNQPZDWLPUOMBL-QZTJIDSGSA-N 434.585 2.386 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748844107 OPFSXCVSYTYEIX-OALUTQOASA-N 434.548 2.093 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCn1cc(Cl)cn1 1748965076 LYFCQUZKGUSCHW-UHFFFAOYSA-N 438.923 2.153 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCSC2)CC1 1749016752 NCADIBISVMJDCY-LJQANCHMSA-N 438.601 2.373 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ncc(CC)s2)CC1 1749017102 WGAJEXLONLCTLC-UHFFFAOYSA-N 449.584 2.297 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(N)=O)CC1 1749115771 VXVPZQGHHYKDQZ-PXNSSMCTSA-N 446.596 2.270 30 10 IEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749370571 KOXJNZPWGCICLF-GOSISDBHSA-N 437.548 2.339 30 10 IEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749450778 SWUACEOITJLWKA-MRXNPFEDSA-N 436.557 2.112 30 10 IEEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1)C1CC1 1749515918 IPCSGHNKURYOGY-UHFFFAOYSA-N 426.546 2.480 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749609192 GPPNWSGVNRGKRM-NRFANRHFSA-N 429.477 2.188 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1749660039 MRTTYQNUCHAGRL-UHFFFAOYSA-N 441.532 2.414 30 10 IEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)C1 1749713371 SNCKGTOEILFTQP-MOPGFXCFSA-N 439.626 2.080 30 10 IEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1749740515 FXENHNCCOCNONE-UHFFFAOYSA-N 435.623 2.114 30 10 IEEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CCS1 1750675659 DSKLDOLUCVMBRD-SIKLNZKXSA-N 426.590 2.461 30 10 IEEE C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1751150270 IZXLVARAYNPKKL-KRWDZBQOSA-N 447.543 2.385 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCc2nc(C)no2)c1 1760128907 WDWFPXBZELSFNC-GOSISDBHSA-N 449.515 2.162 30 10 IEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(F)F)c2)CC1 1760260669 BHZHAPKFEJWZQJ-UHFFFAOYSA-N 442.514 2.316 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760335651 PFYADSLJXJUSJM-YLJYHZDGSA-N 441.580 2.401 30 10 IEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1760355130 ZORWEEXDFNOPOU-UHFFFAOYSA-N 425.537 2.495 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)CN(C)C2=O)C1 1760539385 NHWBDNJWWJTEDR-DYESRHJHSA-N 426.477 2.113 30 10 IEEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1761014949 JDKREMQRRWIXRN-QKLQHJQFSA-N 438.573 2.123 30 10 IEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC(=O)N1C 1763179335 URDSTWFBVACOCN-VQIMIIECSA-N 438.532 2.211 30 10 IEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1 1764994958 BXUCZSCORDHWPM-FQEVSTJZSA-N 449.559 2.371 30 10 IEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1765980406 DLIOZBNQAMQKSP-FGZHOGPDSA-N 442.495 2.273 30 10 IEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1767185552 FLYNWBQGSKTEGY-QFIPXVFZSA-N 444.511 2.470 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1767492673 YOJLLESZSXIDIN-YWZLYKJASA-N 437.470 2.082 30 10 IEEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1768139765 IVXOKSVVCAWZCV-JOCHJYFZSA-N 437.592 2.458 30 10 IEEE COC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1769229820 AFOSNOOBAHERPU-UTKZUKDTSA-N 430.484 2.251 30 10 IEEE COCCN(C)CCn1c(C2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769788807 CHTGMINHPXXXMB-UHFFFAOYSA-N 437.592 2.318 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1772660519 BJBVAEQXWQCYJM-IBGZPJMESA-N 445.589 2.287 30 10 IEEE C=CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C)C1=O 1849168252 XQXCZUKOSJJDOR-MSOLQXFVSA-N 439.965 2.129 30 10 IEEE CN1CCN(C(=O)c2ccccc2C(=O)Nc2ncc(C#N)cc2Br)CC1 1851811432 WUQALIHBTCVQGE-UHFFFAOYSA-N 428.290 2.356 30 10 IEEE COc1c(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nnn1Cc1ccc(C)cc1 1851824797 PGKJVJGVSFXNKU-UHFFFAOYSA-N 445.423 2.128 30 10 IEEE Cn1cc(N2C[C@H](C(=O)Nc3c(C#N)cnn3-c3cccc(C(F)(F)F)c3)CC2=O)cn1 1852647239 KPIZVQUIGYVJJI-GFCCVEGCSA-N 443.389 2.488 30 10 IEEE COc1ccc(-c2nc(-c3ccccn3)nc(N(C)C(=O)CN3CCOCC3)c2C#N)cc1 1853179324 LWWOLYFZIIVITQ-UHFFFAOYSA-N 444.495 2.381 30 10 IEEE N#Cc1ccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1855618109 IMRFZGVJJNFPAQ-IBGZPJMESA-N 429.542 2.070 30 10 IEEE C[C@H]1C(=O)N(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCN1Cc1ccc(C#N)cc1 1855635869 IAFUZKFNVLHFIT-HNNXBMFYSA-N 445.928 2.245 30 10 IEEE N#CCC1CCN([C@H]2CCCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857203458 GXQNZORAASFFDE-IBGZPJMESA-N 435.521 2.133 30 10 IEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(CC(C)C)c1=O 1861286911 JTQVJUGIWOMOLH-NRFANRHFSA-N 439.512 2.073 30 10 IEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1F 1862627345 NDMYWXGRMYXRHZ-LJQANCHMSA-N 444.390 2.408 30 10 IEEE CC(C)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868781794 AGGMMNFNSSULSA-DSKINZAPSA-N 446.617 2.396 30 10 IEEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cccc(N(C)C)c2)c(OC)c1 1870098603 MWFNTJLBLOKCPA-UHFFFAOYSA-N 428.474 2.023 30 10 IEEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN1CCN(C)CC1 1870442111 MJPSPPZPGQMRPY-UHFFFAOYSA-N 434.544 2.001 30 10 IEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870534999 BFCHLPWWBXLJTF-PMACEKPBSA-N 432.609 2.349 30 10 IEEE O=C1C[C@H](c2nnc(SCCO)n2/N=C/c2ccccc2O)CN1Cc1ccccc1 1874209039 WBUNLAKRBUJYGA-XNQWGTPPSA-N 437.525 2.466 30 10 IEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874316712 HKGZCNXPECAKBE-WSDLNYQXSA-N 427.486 2.161 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccccn1 1874435898 CRUYQYOFIVTPDZ-ZIFAQYRBSA-N 437.529 2.161 30 10 IEEE COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C#CCN(C)C)CC3)OCC(=O)N2C(C)C)cc1 1890023422 SYVUXGUSDUKWMD-ZEQRLZLVSA-N 441.572 2.176 30 10 IEEE N#CC1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 1890308542 RJSDPHYRBQXVHL-UHFFFAOYSA-N 445.010 2.154 30 10 IEEE C#CC1(O)CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2009819139 IDONYJSFWWGUKX-XMMPIXPASA-N 427.545 2.143 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCOC1 2141678184 MNFSTCZWIXEFRW-QFIPXVFZSA-N 447.341 2.345 30 10 IEEE C#C[C@]1(O)CCN(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2237388765 ZCGPJJHQYWXOTD-JXFKEZNVSA-N 437.334 2.482 30 10 IEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630315 IKEIFMIRUZMFIF-CQSZACIVSA-N 434.346 2.228 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256625513 XXUDSMQZTRJWSF-KRWDZBQOSA-N 434.342 2.427 30 10 IEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2256671954 ZTHGOBTXFGSULP-HNNXBMFYSA-N 438.305 2.339 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256677958 JEGJXSPSVSPWIL-ZNLKAECVSA-N 449.382 2.362 30 10 IEEE CCc1nn(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267143809 NCQARLDBRRVVDK-SFHVURJKSA-N 438.381 2.286 30 10 IEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267144320 UZEPTOSCMRXGAU-OAHLLOKOSA-N 446.357 2.180 30 10 IEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267148900 FZXCXMUWKMMNES-OAHLLOKOSA-N 448.373 2.332 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267197040 VCPOPSWWVRSGLL-UHFFFAOYSA-N 448.373 2.229 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267504511 TWVHITYSOYKRRH-CABCVRRESA-N 448.373 2.237 30 10 IEEE CC[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267518679 GJIJENZHCCKPLB-HOCLYGCPSA-N 448.373 2.474 30 10 IEEE Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527311 FQMNVOZGFLFDMA-HIFRSBDPSA-N 448.373 2.155 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267602591 OWCNKZUMIXMMFL-QAPCUYQASA-N 445.369 2.406 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268663392 KTFJQAAZOMIYNW-JKSUJKDBSA-N 447.341 2.249 30 10 IEEE Cc1cc(S(=O)(=O)N[C@H]2CCCC3(C2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2282326253 PPCITKQEWGVCKX-AWEZNQCLSA-N 443.396 2.320 30 10 IEEE COc1ccc([C@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 2296938361 BQDMFRTUBXPGJS-IBGZPJMESA-N 442.424 2.034 30 10 IEEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)CCOC[C@H]1NC(=O)OC(C)(C)C 2306220970 BOUDDGDNYUNQLN-VFNWGFHPSA-N 443.541 2.184 30 10 IEEE CN1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](NC(=O)OC(C)(C)C)C1 2322306492 KLIKUVMKPYQAIM-CVEARBPZSA-N 437.321 2.106 30 10 IEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccn1 2330733739 FFSLPBUBGLKJBM-UHFFFAOYSA-N 427.465 2.061 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 2337190372 NCMXIEHLBCDEAQ-IBGZPJMESA-N 438.381 2.361 30 10 IEEE C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377310999 QFWHIEDAFSFYCO-CYBMUJFWSA-N 444.200 2.367 30 10 IEEE O=C(O)COc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 254870249 RLKMZUCPLYLWBB-UHFFFAOYSA-N 449.471 2.361 30 10 IEEE CCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 409490937 JQSFGCOSQRVVAX-GFCCVEGCSA-N 425.864 2.402 30 10 IEEE C[C@@H](C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)n1cnc(C#N)n1 409634689 DVCLLAKMYVZSLV-AWEZNQCLSA-N 425.493 2.318 30 10 IEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 409857523 ZNFDBMXMUQYVQW-UHFFFAOYSA-N 441.553 2.320 30 10 IEEE COc1cc(OC)cc(N2CC[C@@H](CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)c1 443374565 QPYLFQIPJGBHQS-AWEZNQCLSA-N 446.485 2.288 30 10 IEEE N#Cc1ccc(Oc2ccc(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)nc1 446343957 QUNCPYXDSLFRPL-USNOLKROSA-N 428.448 2.282 30 10 IEEE CCOC(=O)c1csc(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 469267908 LMAMGCGUBQRNRR-UHFFFAOYSA-N 444.332 2.475 30 10 IEEE Cc1ccc2nc(CNC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)[nH]c2c1 484003251 IPPFQIVFUZCITP-UHFFFAOYSA-N 430.512 2.094 30 10 IEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCC 516830663 BETMENNUNAGCIK-UHFFFAOYSA-N 425.554 2.138 30 10 IEEE N#Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)CC2)n1 546876376 OFNJIXOJVARLBY-UHFFFAOYSA-N 439.541 2.137 30 10 IEEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 561695435 HOMUCVQZWAXGCP-HXUWFJFHSA-N 442.541 2.138 30 10 IEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 570993157 LKEHSYILWUVLOI-QFIPXVFZSA-N 437.496 2.152 30 10 IEEE N#Cc1cccnc1N1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 604298005 ANWBOSLIRVCBHI-UHFFFAOYSA-N 430.917 2.262 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1C 609256628 BFSALYJCXACAPI-UHFFFAOYSA-N 446.504 2.291 30 10 IEEE C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669813880 XWFRTIOYEGFDJH-RXVVDRJESA-N 438.576 2.052 30 10 IEEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCCO2)c1=O 684533739 CDNIFPUWRRRNCV-GOSISDBHSA-N 440.569 2.129 30 10 IEEE C=C(Br)CS(=O)(=O)Nc1cc(C)c(S(N)(=O)=O)cc1Br 704611464 VRHGBXGYDBQWCX-UHFFFAOYSA-N 448.158 2.055 30 10 IEEE C#CCN(C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)[C@@H]1CCS(=O)(=O)C1 729332754 WQRPUBPYFSAKBN-ZIAGYGMSSA-N 447.582 2.103 30 10 IEEE Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 746201614 ADEKEZOQZNDLDM-VHEBQXMUSA-N 449.305 2.119 30 10 IEEE N#Cc1cccc(CC(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)c1 749403593 OEPNXIUDXVQVBV-UHFFFAOYSA-N 434.468 2.414 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 758574689 BPTJPBYPDVGDIJ-SQWLQELKSA-N 434.928 2.372 30 10 IEEE CN(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)S(=O)(=O)c1cccnc1 764753190 IBCLQXBWLWCRQT-UHFFFAOYSA-N 444.300 2.416 30 10 IEEE C#CCN(C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 774036647 DQTDORMUTWBRHV-GOSISDBHSA-N 447.557 2.366 30 10 IEEE C#CCn1c(=C(C#N)C(=O)c2ccc(OC(F)F)cc2)sc(=Cc2ccoc2)c1=O 776293902 TXSZFMDYZJENKA-UHFFFAOYSA-N 426.400 2.123 30 10 IEEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc(NC(C)=O)c1 779751937 AYHDFJZYKCUIFF-GOSISDBHSA-N 430.530 2.448 30 10 IEEE C#CCNC(=O)c1ccccc1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 782608494 UUZOBIQPSZMLGA-UHFFFAOYSA-N 428.242 2.395 30 10 IEEE N#CC1(CS(=O)(=O)NC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 793195305 JONRUTBNRPSJLS-HNNXBMFYSA-N 432.329 2.116 30 10 IEEE CCn1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2F)cn1 795171439 GKYGUKOCZJLQQC-SFHVURJKSA-N 446.552 2.242 30 10 IEEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 798010446 NLXUDDOBZOQWII-ODRGZRGXSA-N 436.534 2.353 30 10 IEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 802564205 AMRXPWNEPNIUIJ-HOTGVXAUSA-N 439.582 2.250 30 10 IEEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)C(C)C 925932342 JHCOMFBEOLHDIY-QAPCUYQASA-N 426.473 2.156 30 10 IEEE COc1ccccc1C=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1 1084430751 URJPKTOHGJDUMM-UHFFFAOYSA-N 430.494 2.174 30 10 IEEE Cc1cc(C#N)cc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CC2)n1 1130965291 WMBXUEFAGOFVST-UHFFFAOYSA-N 426.498 2.092 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NCCNc3ccc(C#N)cn3)=NO2)C1 1136174144 CGAUFQYMQBJTAJ-NRFANRHFSA-N 428.493 2.027 30 10 IEEE Cn1cc(CN(CCn2ccnc2)C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1140378539 ZGMHRHGPGIBBJZ-UHFFFAOYSA-N 440.548 2.296 30 10 IEEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)cc2)CC1 1143946257 KIAWIBSYEFQDIN-LFYBBSHMSA-N 438.503 2.257 30 10 IEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nc(C3CCC3)no2)CC1 1151947764 XRNJFKZPZJYTDZ-CQSZACIVSA-N 443.529 2.282 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)n1 1156617880 FUBLPVGBOOCGEB-CADBVGFASA-N 444.532 2.052 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1164674039 UEMHPQBHWNFJAL-SFHVURJKSA-N 444.509 2.153 30 10 IEEE CCOC(=O)C1([C@@H](C)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOCC1 1176658780 WTXKAQRNVOOUAZ-MRXNPFEDSA-N 425.489 2.020 30 10 IEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)CC1 1176864346 IJAWLCSOYBULCO-VNTMZGSJSA-N 433.597 2.056 30 10 IEEE C[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C(=O)NCCc1ccccc1 1211862409 CFDSMNMLDWTTLI-ZDUSSCGKSA-N 436.331 2.346 30 10 IEEE C#C[C@@H](NS(=O)(=O)Cc1cc(C(=O)OCC)no1)c1ccc(Br)cc1 1211981679 KUONVNOPAFPUTE-CQSZACIVSA-N 427.276 2.408 30 10 IEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1Cl 1264187837 LDQVKXYZZKMAAW-UHFFFAOYSA-N 425.297 2.407 30 10 IEEE CC(C)(CNC(=O)[C@@]1(C#N)CCCOC1)S(=O)(=O)c1ccc(Br)cc1 1265343444 JVIKZDUENPKXNR-QGZVFWFLSA-N 429.336 2.438 30 10 IEEE CN(C)c1cc(C#N)cc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1 1272461779 BVOWSLMSZXHAFS-MSOLQXFVSA-N 438.450 2.312 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1286291728 YCGORXVJJIRDHL-HNNXBMFYSA-N 434.500 2.214 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1286415756 QOYLQSYRNFJVCH-FYYLOGMGSA-N 432.572 2.413 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC[C@](C)(CC)O1 1286462663 QHODKXAXWDGGFD-ZHRRBRCNSA-N 429.521 2.440 30 10 IEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](SC)C(C)(C)C)CC1 1286472327 GMODAOWDLHFTKI-AVRDEDQJSA-N 435.638 2.463 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286474229 AREGMPPCTVHMOZ-ICSRJNTNSA-N 429.952 2.405 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286559492 WZADCERRAGLGJR-XLIONFOSSA-N 439.626 2.366 30 10 IEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286710399 WFAKXOBNICOCFK-MRXNPFEDSA-N 429.525 2.071 30 10 IEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2F)CC1 1286713707 DMTMVPYPRZMILL-UHFFFAOYSA-N 442.539 2.459 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1286756585 OPAIETJAWSJULW-GOSISDBHSA-N 429.546 2.001 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286784051 VHQHTRCGDIORCO-MGPUTAFESA-N 441.532 2.268 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286788075 PIIKNAJPLJNWFA-WOJBJXKFSA-N 425.533 2.270 30 10 IEEE CCc1nnc(N(C)c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1292807714 BQZIIIDVANRWLW-FMQUCBEESA-N 426.477 2.152 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC(NC(N)=O)CC1 1294059908 SNOBPXCMKYVNGQ-GOSISDBHSA-N 427.505 2.052 30 10 IEEE C=CC[C@@]1(C(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)CCCN1C(=O)OC(C)(C)C 1295119966 VRZNBCJHCJXJQU-UWJYYQICSA-N 437.541 2.022 30 10 IEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1296189425 FVLVFIOKCNXOBK-OAHLLOKOSA-N 437.990 2.200 30 10 IEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCCNS(C)(=O)=O 1298327190 NCOZFPYSBZXITA-UHFFFAOYSA-N 444.586 2.378 30 10 IEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300400715 JSNHRYYAHLXSFF-UHFFFAOYSA-N 426.540 2.488 30 10 IEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1300403426 LEWGHRUIGMNVQD-HOTGVXAUSA-N 426.487 2.353 30 10 IEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300478751 ANJGYEKEHATXHZ-MRXNPFEDSA-N 440.635 2.115 30 10 IEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)cc1 1300480191 ZEEIOHADHQVZPY-HDICACEKSA-N 438.532 2.265 30 10 IEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CO2)C1 1300656265 HSVISDMLRNLFGQ-IEBWSBKVSA-N 426.517 2.422 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCSC2)CC1 1300729168 OXQSHZWYYUXHTH-INIZCTEOSA-N 444.630 2.353 30 10 IEEE C=C(Br)Cn1c(N2CCOCC3(CC3)C2)nnc1[C@@]1(OCC)CCOC1 1300863943 WOKBGFJSPWMIKA-GOSISDBHSA-N 427.343 2.456 30 10 IEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCN1CC(F)F 1300865202 DLQGDLHPPOUGSR-HOCLYGCPSA-N 442.532 2.130 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1300898119 WHRMKNZYUKOWNL-PZJWPPBQSA-N 437.548 2.389 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1300983344 HRJRBSABOONQJG-GOSISDBHSA-N 428.537 2.350 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301508862 WKESCDPCCNYJRY-INIZCTEOSA-N 446.577 2.336 30 10 IEEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1301583883 FDJOZWWDSAXUBV-HOTGVXAUSA-N 425.464 2.440 30 10 IEEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1302169513 QVKOMPLQMUBVQF-HXUWFJFHSA-N 442.589 2.107 30 10 IEEE Cc1ccc(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1304362887 OCEUUIVWVKVZEE-VGSWGCGISA-N 428.537 2.113 30 10 IEEE C=CCSCCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1312483272 IGHHLQYWNFPIQU-QEEYODRMSA-N 427.567 2.394 30 10 IEEE CCOC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1(F)F 1312487736 YTKQUWOAKZOWDI-IAGOWNOFSA-N 434.443 2.284 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1316535861 FEBPUPPCRXQPRC-IBGZPJMESA-N 440.523 2.410 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1358886854 LUDOXSPUMCJGRM-WCQYABFASA-N 433.415 2.066 30 10 IEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358930943 JYRJQMDLJJIIAK-FQEVSTJZSA-N 445.564 2.426 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1N(C)CCCC1(C)C 1359027615 PBIPDSPTABCHKP-UFYCRDLUSA-N 433.597 2.209 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)COCC)CC1 1359046141 GNAQIVYEKYBXFY-UHFFFAOYSA-N 438.576 2.292 30 10 IEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)OC)C1 1359134600 APRMKHDEZBIXLY-SFHVURJKSA-N 438.532 2.499 30 10 IEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1359210197 MKRSFNVTKGUHJV-KRWDZBQOSA-N 447.561 2.161 30 10 IEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359216013 NNNCKHJIERKKKM-GOSISDBHSA-N 427.553 2.128 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(=O)OC)CC1 1359233670 NFCGLOUBEGWGGD-UHFFFAOYSA-N 447.561 2.449 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)C1 1359577762 JFUSCZUMEXVFHC-ZACQAIPSSA-N 443.552 2.067 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1360473851 BCYHUWWWZOZAIV-QAPCUYQASA-N 444.609 2.317 30 10 IEEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)OC(C)(C)C 1440638621 LTJQDJZZSUJDQQ-UHFFFAOYSA-N 437.562 2.204 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cc1 1454601110 ZXJNSWOGYRXXDN-UHFFFAOYSA-N 440.375 2.356 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1460533231 LGUFOVDTNJBXFJ-IUKKYPGJSA-N 442.516 2.207 30 10 IEEE CN(C)CCCN(CCC#N)C(=O)CCS(=O)(=O)c1cccc(Br)c1 1464474757 GQIJGWYZSSJZSO-UHFFFAOYSA-N 430.368 2.307 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCO[C@@H](c4ccccn4)C3)C2=O)cc1 1468066844 LLYOWQRCRQGNBF-NSISKUIASA-N 433.468 2.195 30 10 IEEE CCc1ccc([C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(CC)CC)cc1 1470355596 KWBABJBTQLGDFH-TUNNFDKTSA-N 432.590 2.212 30 10 IEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)C1 1471833125 PYTILVMJGFJSFW-HXUWFJFHSA-N 425.554 2.301 30 10 IEEE N#Cc1ccc([C@@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCO2)cc1 1473838765 LFNBVRITARDUNW-QHCPKHFHSA-N 438.503 2.224 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@H]1C[C@H]1C 1497055171 ACJLSSBOQUCRPU-VKJFTORMSA-N 437.552 2.154 30 10 IEEE CN(C)C(=O)C1(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1503358627 DAEUVZSLLHNNJB-FQEVSTJZSA-N 436.560 2.441 30 10 IEEE C#CCN(c1nnc(C2CC2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507631731 SNFHNYXXPOWTFW-SFHVURJKSA-N 444.557 2.260 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCCCS(C)(=O)=O)CC1 1507720608 LZOVSKCXUWCGAS-UHFFFAOYSA-N 443.617 2.478 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCC2)CC1 1507722288 SRXHFDBBSZQRLZ-IBGZPJMESA-N 439.560 2.487 30 10 IEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCCN2CCN(CC)CC2)CC1 1507731087 ACCSLJVOOMYJDY-UHFFFAOYSA-N 427.641 2.109 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507736664 PCPASTAYFWHMHV-NRFANRHFSA-N 437.592 2.359 30 10 IEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCCC1 1517576105 ICADKDOILFEJIA-UHFFFAOYSA-N 437.548 2.182 30 10 IEEE COc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)c1 1518373479 FWJHJWSYYWODRM-SFHVURJKSA-N 427.486 2.090 30 10 IEEE COc1cc2ncn(CCCC(=O)N(C)[C@@H](C#N)C3(SC)CC3)c(=O)c2cc1OC 1535948115 VOBHODDTCBWQLZ-SFHVURJKSA-N 430.530 2.440 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC(O)CC1 1538992884 AHBRNPVOSNAJSU-KRWDZBQOSA-N 425.533 2.021 30 10 IEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)OC)CC1 1539059905 URBNAECLBVCPCY-UHFFFAOYSA-N 434.504 2.114 30 10 IEEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1539361786 FDFPCAIHZRTBER-OAHLLOKOSA-N 436.438 2.268 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCCS2)n1 1539424948 ZHVVKVSKCYMYGY-GOSISDBHSA-N 438.561 2.113 30 10 IEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1539513370 NEDZZOJEOPVFSA-LJAQVGFWSA-N 428.587 2.419 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1539643256 LUDYMONJYGSJMF-AZUAARDMSA-N 437.610 2.074 30 10 IEEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 1539781407 CHSWOHIBHJZLTI-UHFFFAOYSA-N 433.285 2.278 30 10 IEEE CC(C)(C)c1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541152954 OVDIZBNIOQJJPX-ZCXUNETKSA-N 428.537 2.109 30 10 IEEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nnc3n2CCCCC3)CCOC1 1541715870 UBJQBPRJSMZFPB-JTSKRJEESA-N 442.568 2.423 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C1CC1 1541801942 HKCBUCYCIZIIJQ-HOTGVXAUSA-N 434.548 2.413 30 10 IEEE Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1543370057 DKWZUWQKGRHZQG-CQSZACIVSA-N 440.529 2.460 30 10 IEEE C#CCN(C(=O)c1nc(C)n(-c2nc[nH]n2)n1)[C@@H]1CCOc2ccc(Br)cc21 1543685940 QYRRADZUXKRDRN-CQSZACIVSA-N 442.277 2.056 30 10 IEEE N#Cc1ccc(OCC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1Br 1544028318 VNMLYGLPHNIGOW-AWEZNQCLSA-N 434.265 2.299 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(N)=O)c1cccc(Br)c1 1544540635 JUDVLWMLUJNZMC-CABCVRRESA-N 438.322 2.398 30 10 IEEE C#CCN(C(=O)COCCNC(=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370156 JCDKXLXVERKUJD-UHFFFAOYSA-N 443.544 2.294 30 10 IEEE C#CCCN(CCOC)C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1565378736 WMQCKJPRENLFKJ-QGZVFWFLSA-N 437.537 2.001 30 10 IEEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1565459488 LCDCXOZBJMOECL-LJQANCHMSA-N 433.505 2.016 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1)c1cc[nH]n1 1586106856 BEJIKVYNBOWXMS-HXUWFJFHSA-N 435.484 2.497 30 10 IEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H](c1ccccc1)N1CCOCC1 1588149663 ZZSQEGIZNGJKQB-XMMPIXPASA-N 440.551 2.410 30 10 IEEE C#CCN1CCN(c2nnc(CC3CC3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1588857169 JYDYCLPGZNRCHQ-UHFFFAOYSA-N 439.560 2.254 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCNC(=O)CC1 1589556321 BQAYRIXBYPBAMX-XMSQKQJNSA-N 425.533 2.207 30 10 IEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1593736262 YPVGAMCOZPMNLU-UHFFFAOYSA-N 440.552 2.056 30 10 IEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1594004056 RYKGIURDGJMXMY-IKGGRYGDSA-N 425.961 2.497 30 10 IEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1594744012 IPXUUDHRDAVMLM-UHFFFAOYSA-N 431.548 2.470 30 10 IEEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 1596233612 LTOVFEBEXVXWKF-IBGZPJMESA-N 438.546 2.110 30 10 IEEE Cc1cccc(-c2nnc(N(C)CC3CC(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1612188287 NTBSDZQZOYETBF-VZCXRCSSSA-N 439.495 2.359 30 10 IEEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1613041318 XSARYTQDNKSLHI-DLBZAZTESA-N 431.562 2.458 30 10 IEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cccc(C)c2)CCOC1 1616141785 GWKPQACNAUWPRF-WZONZLPQSA-N 440.548 2.265 30 10 IEEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@@H]1CCC[C@H]1C#N 1620487731 CMRSRGSGIKMZAN-AZUAARDMSA-N 430.574 2.374 30 10 IEEE CNC(=O)c1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1Br 1624594863 FJCIDUAXZFZQLJ-UHFFFAOYSA-N 443.305 2.429 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)s1 1627816892 NMCWEIHSFQTUAP-HNNXBMFYSA-N 435.571 2.159 30 10 IEEE CC(C)(C)OC(=O)CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629485228 KZLDENJTGVEZQG-UHFFFAOYSA-N 435.546 2.293 30 10 IEEE C[C@@H](CC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1632375971 OWJUJYQUCOYSDI-LSDHHAIUSA-N 435.546 2.084 30 10 IEEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CC(c4ccccn4)=NO3)c(C#N)c2N)cc1 1634947794 YXRNWFMOYHALSB-OAQYLSRUSA-N 429.484 2.272 30 10 IEEE CCOC(=O)c1ccc(N2CC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2)nc1 1638386000 UVWJNVXBCQOSCB-KRWDZBQOSA-N 445.520 2.150 30 10 IEEE CCC[C@H](C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(N)(=O)=O 1639782806 MQAWBAHSHGWTJW-BWZBUEFSSA-N 432.333 2.073 30 10 IEEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 1640217918 ARTFATAURXSSOG-QGZVFWFLSA-N 428.470 2.221 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)=NO1 1640719876 WPFRFURXTCJOQL-QGZVFWFLSA-N 428.489 2.350 30 10 IEEE O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854289 DHUFTJXUFWAYNK-GOSISDBHSA-N 425.416 2.083 30 10 IEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(CCc3ccccc3)c2C)c1=O 1651693372 ASEHZTZEHFWYAU-UHFFFAOYSA-N 448.523 2.088 30 10 IEEE CO[C@@H]1COCC[C@@H]1N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1654651455 WHQZFMDKTTVRNZ-TYCQWZJGSA-N 430.549 2.092 30 10 IEEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n(-c2ccc(F)cc2)c1C 1655521013 CJJXZLCQQWLFLM-IRXDYDNUSA-N 444.532 2.410 30 10 IEEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1663413523 FKQZABIXQVDFFT-LBPRGKRZSA-N 437.345 2.167 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 1667790702 CDDOWVYUVDFHIN-UHFFFAOYSA-N 440.953 2.279 30 10 IEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CCCc3ccccc3)cc2)CC1 1668662161 JGQULVBVWAYMFX-UHFFFAOYSA-N 440.569 2.479 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CO1 1671880410 QBCQROMALSVBJS-CGZBRXJRSA-N 431.493 2.493 30 10 IEEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)CC2)cc1 1676694096 NFIRDWWXYRYGPL-UHFFFAOYSA-N 439.541 2.494 30 10 IEEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)C1 1684083094 OVPJLPFBQREHJV-MOPGFXCFSA-N 446.979 2.367 30 10 IEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCC1 1689972102 DTAQYNUYGGIOSI-UHFFFAOYSA-N 435.620 2.197 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689990251 NFYYBSYTLCLFGS-RDJZCZTQSA-N 449.602 2.214 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1690046777 GYDHCCOOWOQQKV-UXHICEINSA-N 439.585 2.168 30 10 IEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)CC1 1690250977 NTIRZQMLQBEHSX-GHTZIAJQSA-N 446.621 2.383 30 10 IEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1690437550 HSYPGVVILLPJLI-UHFFFAOYSA-N 449.625 2.214 30 10 IEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@H]1C 1690572225 WXZVADYTBJKZSS-KKSFZXQISA-N 431.562 2.308 30 10 IEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1COCCO1 1690603862 JRAKVZUKADHTOS-HXUWFJFHSA-N 425.533 2.051 30 10 IEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677150 PGRREJDEOZSPHF-WZONZLPQSA-N 449.596 2.405 30 10 IEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1690742672 XSGYTLCABMYUKA-HNNXBMFYSA-N 426.546 2.336 30 10 IEEE CC(C)CCOCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692385241 PQDHCBVPOGTMHU-FQEVSTJZSA-N 426.569 2.308 30 10 IEEE CC[C@@H](C)NC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1694228559 DFPUTWGCLJYWNV-GOSISDBHSA-N 438.580 2.375 30 10 IEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1(C)C 1697694994 MVPLZQWMNZHYAW-OALUTQOASA-N 427.505 2.005 30 10 IEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C[C@H]1C 1698096515 GIADHXXNAVLRNK-IMFGXOCKSA-N 428.512 2.416 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1705495581 RRIKJJNBRAUXRV-LPHOPBHVSA-N 428.558 2.475 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1c2ccccc2C[C@H]1C 1705572582 HMRYYFGYTZHXQH-LJQANCHMSA-N 439.523 2.449 30 10 IEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1scnc1C 1705627100 VLZCJOBQFUZLJF-UHFFFAOYSA-N 428.518 2.099 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1705629940 APSVWGDBLQOBHK-UHFFFAOYSA-N 444.539 2.492 30 10 IEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705662834 MQBQVDCLOKNYOK-JOCHJYFZSA-N 427.574 2.206 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705695472 XJRVSHAFAWRHDH-BTCOZLQPSA-N 444.580 2.037 30 10 IEEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705725730 OPSXDQLDVRYGQS-GVDBMIGSSA-N 449.552 2.108 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CCOCC2)C1 1705920230 SZAGQAUKFWJIMB-PXNSSMCTSA-N 442.520 2.355 30 10 IEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705944192 XOETXDCWQRVDSS-DLBZAZTESA-N 434.610 2.137 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1706070569 MOISJHJQQWHCJF-VFNWGFHPSA-N 446.939 2.263 30 10 IEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(C)CC(F)(F)F 1706314583 CMFKKXREIAHPFQ-UHFFFAOYSA-N 436.486 2.489 30 10 IEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)CC 1710564798 FSBBKAAZWFVGGO-OAQYLSRUSA-N 430.484 2.176 30 10 IEEE COc1cc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)ccc1SC 1711660150 VAWQCOLZWNGYLG-VXPUYCOJSA-N 442.545 2.480 30 10 IEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1712090344 AWTXOWMYPYLSSL-MDYRTPRTSA-N 430.440 2.347 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@H]1OC 1722285465 WDQRLKBEQIYGQJ-KVSKMBFKSA-N 445.951 2.371 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722350478 BALOYDPHFOEQNI-SCTDSRPQSA-N 447.630 2.394 30 10 IEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1722368999 UYXVFBRHYXMINA-APWZRJJASA-N 447.561 2.054 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nccn2C(F)F)CC1 1722438940 IFLUKTDPIVEBSZ-UHFFFAOYSA-N 441.486 2.273 30 10 IEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cscn2)CC1 1722455726 PLMKMNJMVOLQQD-UHFFFAOYSA-N 427.603 2.429 30 10 IEEE C#CCSCCn1c(C2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722458399 IIUIGCLNGNWRDZ-WIYYLYMNSA-N 444.649 2.291 30 10 IEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722461844 HILAGLPFINORLS-GOSISDBHSA-N 446.646 2.159 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1722471344 XARZUBLMHDRUOW-OAQYLSRUSA-N 445.614 2.316 30 10 IEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722534451 PLGVDBSPKIRUOV-ZWKOTPCHSA-N 430.578 2.474 30 10 IEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722590737 IOQOZMDBZGYZBU-SJORKVTESA-N 425.599 2.150 30 10 IEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1722615385 OTLACLOEXVKSQH-OAQYLSRUSA-N 437.592 2.454 30 10 IEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C(F)(F)F 1729544241 IIZYWTQGNXGCHC-UHFFFAOYSA-N 444.483 2.391 30 10 IEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1740588753 GEJCHWBDZLSNFC-UHFFFAOYSA-N 433.516 2.360 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1740623464 USKBHAJTANCBPF-LJQANCHMSA-N 426.542 2.395 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1740646617 GFCQMLFBBTXGEE-XMMPIXPASA-N 441.576 2.042 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1740675171 IALHEHSHZWMSJO-SFHVURJKSA-N 434.585 2.388 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740794610 DWIACSYXESVQTE-FQEVSTJZSA-N 437.548 2.358 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cccs1 1740951234 DHGBHLTUEZAGOU-AWEZNQCLSA-N 425.518 2.487 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1740957647 VSRZFKMHJGBCQO-UHFFFAOYSA-N 427.553 2.050 30 10 IEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1741304411 CSNTYSFVMBOLIN-WMZHIEFXSA-N 439.564 2.172 30 10 IEEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCN(C)C2)c1 1748571245 DTWBEEKITFUIQC-HSZRJFAPSA-N 440.548 2.159 30 10 IEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1748724549 DXXRCRAYNRKWLJ-UHFFFAOYSA-N 426.565 2.043 30 10 IEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1748747411 HLPGREPUHHROGA-CQSZACIVSA-N 438.454 2.492 30 10 IEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748815344 PFZDXBQGXNUSJU-LJQANCHMSA-N 443.573 2.092 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748819958 VOOZACGYVMMKTD-NRFANRHFSA-N 443.617 2.144 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748821927 WMIHLAYVBDAFJZ-HXUWFJFHSA-N 427.574 2.275 30 10 IEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1748902487 GOZXSIORTQJSKI-KRWDZBQOSA-N 446.960 2.408 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1749719715 ZVLLGOIRLNFBTG-SIKLNZKXSA-N 447.967 2.358 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1749725156 RJMJMDGJIIPXHU-GOSISDBHSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1SC 1749732300 VCLMCVKSXTVIRA-MRXNPFEDSA-N 449.602 2.188 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCO2)C1 1750510459 RMTJDZOOPVHTKI-XDNAFOTISA-N 444.536 2.123 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1cc[nH]n1 1751096960 ASPQXRIXQATWEQ-INIZCTEOSA-N 431.504 2.173 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1S(C)(=O)=O 1760107690 QXANGWYZSRXVKC-FUHWJXTLSA-N 438.557 2.375 30 10 IEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760139731 MXMPICJCZTUTBV-LJQANCHMSA-N 430.574 2.499 30 10 IEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760184319 VNZZLYYLZHHTBN-SFHVURJKSA-N 445.589 2.348 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1760203894 UGXWEFPLZMXLLF-GOSISDBHSA-N 440.504 2.004 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(C)(=O)=O 1760244773 GVDGPJTTXHACHG-UHFFFAOYSA-N 436.603 2.406 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)CCC)CC1 1760271930 RKWJYBMVBCVUGI-JOCHJYFZSA-N 444.605 2.151 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CCOC)C(=O)C1 1760325478 QAABDAZJZWXEAW-RXVVDRJESA-N 445.589 2.207 30 10 IEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)C)CC1 1760446964 BDXQKMBYZNRIJH-UHFFFAOYSA-N 437.552 2.044 30 10 IEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCOCC1 1760504104 KWYTUTBMAZOALZ-QGZVFWFLSA-N 429.521 2.033 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1760553966 NJHYUGKMKIZHMO-IBGZPJMESA-N 440.529 2.383 30 10 IEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1761819780 FHXAJJZOEOFYHF-ZWKOTPCHSA-N 446.577 2.043 30 10 IEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1764269350 ULVFRCLSFSMZAK-LJQANCHMSA-N 434.552 2.062 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCC(C)CC1 1767942791 QNYBHJQUMDBCJC-UHFFFAOYSA-N 438.580 2.140 30 10 IEEE COc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)c1 1768773822 FQQNDLBJVXIJQV-HNNXBMFYSA-N 427.486 2.090 30 10 IEEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1771271839 ADDFETVODUUZRO-SFHVURJKSA-N 440.548 2.173 30 10 IEEE CC[C@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)N1C(=O)COc2ccccc21 1850797043 OOOFFBCZHSEAQZ-LJQANCHMSA-N 433.512 2.490 30 10 IEEE Cc1cccc(C)c1N(C(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1)C(=S)N=CN(C)C 1852389239 WGVSHKKOPXEPDM-MRXNPFEDSA-N 425.558 2.410 30 10 IEEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1852597310 BERRAHRQSBKMMX-FQEVSTJZSA-N 433.468 2.280 30 10 IEEE N#Cc1ccnc(N2CCN(Cc3nc(-c4ccc(Br)cc4)no3)CC2)n1 1853074707 OKANFHUXGQOISF-UHFFFAOYSA-N 426.278 2.483 30 10 IEEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 1853114857 WUCHPIBYWPFEHA-RYUDHWBXSA-N 439.900 2.127 30 10 IEEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)c2ccccc21 1853614658 LARBLYAMBJYYQN-VQIMIIECSA-N 432.546 2.263 30 10 IEEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2=O)c1 1853772317 OYLIXPKLEIERII-UHFFFAOYSA-N 437.399 2.250 30 10 IEEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)c3cc(OCC(F)(F)F)ncn3)C2)CC1 1856151181 WPYJCGMUBSWJRU-AWEZNQCLSA-N 425.411 2.032 30 10 IEEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)Cc3ccc(Cl)s3)C2=O)CC1 1857070776 VFYIROWARGPYFH-INIZCTEOSA-N 429.933 2.160 30 10 IEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)c1 1870107077 QYZGVKAVQPRZTM-UHFFFAOYSA-N 444.451 2.463 30 10 IEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)cc1 1870110276 JZLIIVVSXOWHPI-UHFFFAOYSA-N 446.467 2.132 30 10 IEEE C=CCn1cc(OCCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870358166 VYGRFEMESLOBMU-UHFFFAOYSA-N 428.489 2.026 30 10 IEEE COc1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)cc1O 1874261775 RMDVAWYRMXTEAL-LIMNOBDPSA-N 449.439 2.309 30 10 IEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(n3nccn3)CC2)[C@@H]1c1ccc(C#N)cc1 1892111028 IEMYASNKLXPXLH-SFTDATJTSA-N 438.557 2.407 30 10 IEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)C1 1991988205 SIBJDENMSSDVSB-LSDHHAIUSA-N 425.526 2.086 30 10 IEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](C(=O)O)C1 2106598865 BNQHSARUXRPYFT-SFHVURJKSA-N 446.353 2.492 30 10 IEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ccc(C#N)cc1Br 2118200738 HZXBGCHTJQNNMN-SFHVURJKSA-N 426.311 2.413 30 10 IEEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229096765 SNWBIXDVFYDMPQ-HZPDHXFCSA-N 425.323 2.385 30 10 IEEE C#CC[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229114526 RPCHDWBDINUFRU-GDBMZVCRSA-N 425.323 2.385 30 10 IEEE C=CCCC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2247412347 YZUXGOGHKMNUHP-JKSUJKDBSA-N 439.553 2.286 30 10 IEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2247837318 QECLXSDSIDSCMB-UHFFFAOYSA-N 437.371 2.444 30 10 IEEE CC1(C)OB(c2ccc(CS(=O)(=O)N(CCN)Cc3ccccc3)cc2)OC1(C)C 2247901028 CXBFVRHHZQFBLZ-UHFFFAOYSA-N 430.379 2.277 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248403298 FRHDKSMWFDPBRR-OCCSQVGLSA-N 437.371 2.219 30 10 IEEE C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248405412 UHLWHQHNVCBBRJ-OCCSQVGLSA-N 440.371 2.110 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCN1C(=O)OC(C)(C)C 2255681499 SSUZKCWKQJLFCA-HNNXBMFYSA-N 433.358 2.406 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255830492 HDEAYOBKDOKSMV-UKRRQHHQSA-N 434.346 2.132 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255870037 HUXISLPSFPZHQS-FZNQNYSPSA-N 431.342 2.414 30 10 IEEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007749 AVRAYZZFKAISJB-PXNSSMCTSA-N 438.381 2.360 30 10 IEEE CC(C)(C)OC(=O)NCCC1CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267171804 PBJJEWSGONQRCE-UHFFFAOYSA-N 446.357 2.199 30 10 IEEE CCn1cc(C(=O)N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267181314 QQWSXWRHANVOJW-LSDHHAIUSA-N 448.373 2.187 30 10 IEEE C[C@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267259951 HKPAOEXOGFDIHO-LSDHHAIUSA-N 446.357 2.151 30 10 IEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267495384 ZVYYCNSNSJJNRJ-HNNXBMFYSA-N 448.373 2.191 30 10 IEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 2267499131 ZQQIOJJPUDPTCD-UHFFFAOYSA-N 448.373 2.285 30 10 IEEE CC(C)[C@H]1[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267515042 IQYPKEYGHOSPDA-CVEARBPZSA-N 448.373 2.473 30 10 IEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2267520262 MQCIVQWVDDXUTC-RCDICMHDSA-N 448.373 2.332 30 10 IEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523183 YBHZWHJNLBPACU-GDBMZVCRSA-N 448.373 2.095 30 10 IEEE CC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2267591708 HATORXBVVBYEPJ-UHFFFAOYSA-N 446.357 2.295 30 10 IEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268722807 IJABOFZRLUCTKS-INIZCTEOSA-N 448.373 2.164 30 10 IEEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@]1(C)COC 2301111515 RJDKGGMLMHGZHL-DOMZBBRYSA-N 427.361 2.229 30 10 IEEE Cc1scc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2320439885 VLARPGAJLJTMET-NWDGAFQWSA-N 444.284 2.343 30 10 IEEE Cc1nnc(SCC(=O)NC2CCCCC2)n(N=Cc2ccc3nccnc3c2)c1=O 2321653610 YSHHYBFPGUYRSR-UHFFFAOYSA-N 437.529 2.313 30 10 IEEE CCOc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 2329056615 MGWKUGUOHMEDHO-OAHLLOKOSA-N 433.534 2.073 30 10 IEEE COc1nc(N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787185 WWENPVASGJHKAC-TZMCWYRMSA-N 443.275 2.283 30 10 IEEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1cccs1 21083008 ABQGSULTKPKLRS-LSFURLLWSA-N 441.498 2.317 30 10 IEEE C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O 97974708 DEFOZIFYUBUHHU-KUDOVOOCSA-N 432.488 2.387 30 10 IEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccnc2)/C1=C(/O)c1ccc(F)cc1 103103717 ONFWRAKJUXXFLK-GOBJLOIFSA-N 425.460 2.365 30 10 IEEE COc1cc2c(cc1S(=O)(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)OCC(=O)N2 429827624 IVZNUNSMVIZXDD-UHFFFAOYSA-N 443.481 2.130 30 10 IEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 460810726 SBWSPLUENTUWMT-IBGZPJMESA-N 449.552 2.197 30 10 IEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 460945790 BPOPEGWJRSHLFT-UHFFFAOYSA-N 433.578 2.219 30 10 IEEE N#Cc1cccnc1-n1cc(NC(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cn1 462100959 WRQWZDCVFSQYRL-HXUWFJFHSA-N 445.483 2.369 30 10 IEEE CC(C)O[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 463804638 BJKDJHPBNHQFPR-MOPGFXCFSA-N 434.562 2.166 30 10 IEEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466102757 LNKGQRSFHRNTEQ-QGZVFWFLSA-N 439.491 2.431 30 10 IEEE CS(=O)(=O)c1cccc([C@H](NC(=O)N2CCO[C@H](C#N)C2)c2cc(F)ccc2F)c1 466334179 YTMSKPRWWJJNQG-BEFAXECRSA-N 435.452 2.392 30 10 IEEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 505729085 IUYPVXFJZTUOLV-AVRDEDQJSA-N 448.951 2.272 30 10 IEEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 520929259 SWCIGTNHQGLGAB-QHCPKHFHSA-N 426.561 2.364 30 10 IEEE COC(=O)c1c(NC(=O)CN2CCN(c3ncccc3C#N)CC2)sc2c1CCC2 532758280 GUUSNDBSLWZUNL-UHFFFAOYSA-N 425.514 2.051 30 10 IEEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)cc(F)c2)c1=O 535136271 BYGXNLVZCPQIKU-UHFFFAOYSA-N 437.471 2.267 30 10 IEEE COc1ccc([C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c2nccn2C)cc1 545513818 AGNJVFQYPZENEZ-OAQYLSRUSA-N 431.500 2.317 30 10 IEEE Cc1noc(C)c1CO[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 546588764 HJZCCZBDVVNSNK-QUCCMNQESA-N 443.573 2.353 30 10 IEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 570908833 AJTKYOJGYPXDLU-HUUCEWRRSA-N 430.530 2.495 30 10 IEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 572810042 NOQPAZFYQGYRPZ-CRAIPNDOSA-N 449.552 2.450 30 10 IEEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCCO2)CC1 574766479 RCMMIYUNGDLTPE-CTNGQTDRSA-N 438.532 2.133 30 10 IEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(Br)c2C1 582933140 GEAPHWUAVJEVGJ-LBPRGKRZSA-N 440.367 2.400 30 10 IEEE C=C(Br)CS(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 704597636 RCPAWJLKFWFDMA-UHFFFAOYSA-N 425.146 2.205 30 10 IEEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)O[C@H](C)C2 732464407 WIOMXTDDCJVWLE-JNFHTLBDSA-N 440.500 2.090 30 10 IEEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@]2(C)CCOC2)C1=O 733075694 UVSDZVVMYFOLAV-LAUBAEHRSA-N 436.553 2.252 30 10 IEEE C#CCCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 744366084 ARVAHNVFPRCMFT-UHFFFAOYSA-N 437.565 2.215 30 10 IEEE COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 747253110 IRMYSHNBJWPIMB-FMIVXFBMSA-N 427.526 2.497 30 10 IEEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 747764005 RVHSRHUMSQIGKE-UHFFFAOYSA-N 444.904 2.354 30 10 IEEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](COC)C2CC2)c1 749819799 WTCSEYGPAZOHAB-PMACEKPBSA-N 442.585 2.092 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cc(C#N)cn1C 751726908 GRARCFVWVFEEDQ-UHFFFAOYSA-N 444.513 2.175 30 10 IEEE C#CCN(CC#C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 752150804 QGHFUPISAASYLT-ZDUSSCGKSA-N 429.361 2.006 30 10 IEEE CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)c1ccc(Br)o1 760409798 SXASVCDIEJLTRU-UHFFFAOYSA-N 446.323 2.034 30 10 IEEE COc1cc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc(I)c1OC 769410338 BFOYAVHKAWPEBT-AWEZNQCLSA-N 427.286 2.481 30 10 IEEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 777293348 HFMRHXZIUWMMKO-NRFANRHFSA-N 445.472 2.255 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)ccc1OC 779622345 IXCQQRXIHFHIJN-SFHVURJKSA-N 443.525 2.320 30 10 IEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)[C@H]1[C@H]3OCCC[C@@H]31)CCCC2 780123520 URTMWFBUIBAJBI-IWMXFIMRSA-N 427.501 2.324 30 10 IEEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2ccccc2I)cc1 780208976 GOIMSFFFPNHXHX-INIZCTEOSA-N 436.205 2.378 30 10 IEEE CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cc1 784128612 PUDBVCPPQFXMID-SFHVURJKSA-N 442.545 2.367 30 10 IEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 789328879 JGKFRZOECIRGOM-HXUWFJFHSA-N 439.537 2.059 30 10 IEEE C=CC[C@@]1(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCCN1C(=O)OC(C)(C)C 790350307 LWGIFCKFPHJFSS-QFIPXVFZSA-N 433.553 2.233 30 10 IEEE C[C@@H]1CCC[C@@H]1CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 798362151 CEXSYFMBMMTUFJ-GUQMYIIFSA-N 445.633 2.428 30 10 IEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 812755533 ZDFGYUAFEOESBI-LBPRGKRZSA-N 431.308 2.419 30 10 IEEE C#CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 914867681 ZATBNUOHSRTQJQ-UHFFFAOYSA-N 435.484 2.116 30 10 IEEE N#C[C@H]1COCCN1C(=O)c1csc(I)c1Br 1126150294 WRZNMKVSPCFAQF-LURJTMIESA-N 427.061 2.480 30 10 IEEE Cn1cc(Br)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1129035961 JCRYXJGTJKAFRU-LLVKDONJSA-N 436.697 2.377 30 10 IEEE N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1130387112 BEVHPHLUCRPCCS-IBGZPJMESA-N 426.454 2.162 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)ccc1F 1133295388 OJSLPHDPAWBFQG-CQSZACIVSA-N 427.498 2.029 30 10 IEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1146221550 SLWUZLUKVLWURN-QUCCMNQESA-N 446.548 2.106 30 10 IEEE C#CCN1CCN(C(=O)Cc2cc(Br)cc(I)c2)CC1 1150692556 DGRCJSJOPUCWSV-UHFFFAOYSA-N 447.114 2.374 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1 1150787829 GDKRBBSACDVOGN-NRFANRHFSA-N 444.465 2.210 30 10 IEEE NC(=O)[C@@]1(c2ccccc2)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1171180018 RBESPIAIPRRJKG-QFIPXVFZSA-N 429.442 2.302 30 10 IEEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1177474959 HINXLDBHHXFKPX-WEDVLIDFSA-N 449.548 2.390 30 10 IEEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)ccc1OC 1186892310 HQYNQOUNSIDJRL-AWEZNQCLSA-N 428.470 2.091 30 10 IEEE C#CCN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@H]1CCOc2ccc(Br)cc21 1265209369 AVNYYUIFHAQXTN-INIZCTEOSA-N 445.317 2.129 30 10 IEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1286348874 ARNHAYRGHAHJBG-YLJYHZDGSA-N 443.573 2.148 30 10 IEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1286349353 IDMBFARITKZTNP-IBGZPJMESA-N 427.574 2.229 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(OC)CCOC2)CC1 1286489049 CXRQUPUXBUJNRP-DEOSSOPVSA-N 437.544 2.025 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1286516939 NUSPRHWJKJKTKQ-LVCYWYKZSA-N 436.626 2.001 30 10 IEEE C=C(Cl)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286635110 JZXNYKLWXNTYLI-QAPCUYQASA-N 432.974 2.085 30 10 IEEE C=C(Cl)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635662 YJWAYZMZMHEKRY-FQEVSTJZSA-N 425.961 2.376 30 10 IEEE CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1286969936 SNVVPEMRBSWSJX-RBUKOAKNSA-N 436.626 2.288 30 10 IEEE CC[C@@H](Cn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1)NC(=O)OC(C)(C)C 1292172600 APSMRWWTQGRGOH-SFHVURJKSA-N 440.552 2.483 30 10 IEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1295065275 KPNQMZRXWGIYHU-IBGZPJMESA-N 437.548 2.036 30 10 IEEE Cc1nccc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)n1 1296200856 WUEZYHZSLDYCRU-OTQYULQBSA-N 440.548 2.221 30 10 IEEE CCOC[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1297411762 JFHDLPMHYYAYBN-ZREAOVPFSA-N 442.564 2.400 30 10 IEEE CNc1cc(N2CCC[C@@H]2Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCOC)ncn1 1299289890 DFNPSXJVMZKOQJ-LJQANCHMSA-N 447.547 2.400 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@](C)(O)CCOC)c1 1300332460 GQKIJEYVGZKYSU-XMMPIXPASA-N 448.527 2.184 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300413201 QVCFDNMOXPVARJ-OFNKIYASSA-N 449.603 2.056 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300495845 KBLBKVAKPTZCHY-SLFFLAALSA-N 435.638 2.224 30 10 IEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300503387 CIWABLBUQNSHSZ-MSOLQXFVSA-N 444.557 2.008 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc2c1OCCCO2 1300553422 IENDTFMHSXXPQC-UGKGYDQZSA-N 436.512 2.285 30 10 IEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CCC2)CC1 1300701419 SDFCEZIIZBQANP-WJOKGBTCSA-N 447.555 2.204 30 10 IEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2csc(CC)n2)CC1 1300708098 MYOMUDLZQSLQGI-UHFFFAOYSA-N 438.605 2.157 30 10 IEEE CO[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1300773634 GIVQLLDFISYWEM-UAFUQJIBSA-N 428.537 2.152 30 10 IEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)OC 1301002595 GKWGXXYIRGAGDG-MRXNPFEDSA-N 439.438 2.372 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1)OC 1301010986 LLGONBHHTXPTLY-IBGZPJMESA-N 429.521 2.313 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1301108012 LXGFGJKXPKKAOY-UHFFFAOYSA-N 431.629 2.092 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](COC)C1 1301575560 IMRIEEVJGNXXQD-SFHVURJKSA-N 429.546 2.280 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1301596637 UQIPEYFJUCWKFM-UWVAXJGDSA-N 426.583 2.156 30 10 IEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1Cc1ccc(C#N)o1 1303805254 YKKPJKSVHHRYBM-ZIAGYGMSSA-N 444.517 2.304 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2cc[nH]n2)C1 1303939512 HFKFZYVKJOYJKH-HSZRJFAPSA-N 432.532 2.346 30 10 IEEE N#C[C@@]12CN(C(=O)c3ccccc3NC(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1304001358 ANBRPCNRTYDRFY-JTSKRJEESA-N 439.493 2.446 30 10 IEEE Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1304346524 SJCTUIQRQCWCKZ-ZJYNUGOYSA-N 442.545 2.315 30 10 IEEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1307046479 ZORHXEXWYHQECE-FQEVSTJZSA-N 448.637 2.432 30 10 IEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)ccc1OCCOC 1309889324 OGBGUFKSCJIPDD-UHFFFAOYSA-N 445.379 2.192 30 10 IEEE CCN(CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1313797827 DTFWXBRVKGVYIB-UHFFFAOYSA-N 441.561 2.453 30 10 IEEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)SC)CCOC1 1314124222 UTAYBMIZNKCPLT-LHSJRXKWSA-N 444.561 2.217 30 10 IEEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](CC)N1CCCC1 1314393976 TVKNLVWGQPZESM-HXUWFJFHSA-N 438.580 2.282 30 10 IEEE CN(CCC(F)(F)F)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1314823128 BZLBUCCFNLXFMC-ISLYRVAYSA-N 449.437 2.179 30 10 IEEE COC1CCC(CCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1315676488 HMOPWRPEGFQRSF-UHFFFAOYSA-N 426.569 2.422 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCN(CC)CC1 1358876474 KORUFSAINHTXQL-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1358925199 XCLJVFBQDGDXAH-QHCPKHFHSA-N 431.500 2.045 30 10 IEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1ccnc1C 1359007156 XPGYLWXOYARLDU-UHFFFAOYSA-N 440.577 2.293 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nccs2)CC1 1359046236 JVLYQEDXZCYCKN-UHFFFAOYSA-N 438.532 2.479 30 10 IEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1359048119 FZWSFQRKYNLYCC-SFHVURJKSA-N 431.537 2.500 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC 1359067241 GGRUNSVUSZUHCP-LJQANCHMSA-N 437.953 2.148 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359098408 AQMGHFOIEAPNKB-NQAVQENRSA-N 444.624 2.201 30 10 IEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](OC)C(F)(F)F)CC1 1359173585 JEZLPKJANZNJIH-OCCSQVGLSA-N 439.504 2.258 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359297335 MVWVUOZVIMSJHT-UHFFFAOYSA-N 434.426 2.031 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1359302375 FMASMKLNXOJODV-UHFFFAOYSA-N 447.543 2.258 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359330745 BRZGPTGDWAAVOT-ZIFCJYIRSA-N 431.562 2.111 30 10 IEEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359461924 NLCUBUMZPODHCB-PMACEKPBSA-N 438.532 2.118 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)Cn3c(-c4ccccc4)c(C)sc3=O)CC2)c1C#N 1435913847 SIBHFIXRGQQNHU-UHFFFAOYSA-N 436.541 2.148 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1 1446225483 FIMXKXCAYQNIQK-UHFFFAOYSA-N 444.488 2.464 30 10 IEEE C=C(CCC(=O)OC)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1463815137 XXHOPSJYMCTXBP-UHFFFAOYSA-N 430.892 2.044 30 10 IEEE Cc1cc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)ncc1C#N 1467106635 AGGKGWNPDVBCOM-KRWDZBQOSA-N 429.502 2.041 30 10 IEEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1=O 1467660966 GHYNOWHAZCPSBF-HXUWFJFHSA-N 440.541 2.061 30 10 IEEE Cn1ncc(Br)c1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1469763902 DBXGCZKAPYHILJ-OAHLLOKOSA-N 431.294 2.049 30 10 IEEE Cc1nc(CCn2c(N(C)[C@@H](C)CC#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n[nH]1 1492691899 OLETTYAEFHERGI-CWRNSKLLSA-N 443.556 2.456 30 10 IEEE Cc1cc(C)n(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)n1 1492759414 DVPPKIJNPFLYDV-OAQYLSRUSA-N 437.483 2.271 30 10 IEEE CCN(CC)C(=O)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1501763076 FJIANYLINKRITI-OAQYLSRUSA-N 430.532 2.230 30 10 IEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1507536107 AOKWXSRZJLTHFU-ROUUACIJSA-N 429.638 2.365 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507688928 CXWYDOVRISGXLW-FHWLQOOXSA-N 435.594 2.183 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(Br)n2)CC1 1507725068 OKJRLRDXEYUOMG-UHFFFAOYSA-N 438.333 2.301 30 10 IEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1507748562 OYYNNTRFDLBAHO-UHFFFAOYSA-N 430.541 2.300 30 10 IEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507750415 UPIDKGPJIXVNLX-MRXNPFEDSA-N 438.561 2.037 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1507756759 QVGXVEFNIJEPBL-GCJKJVERSA-N 427.574 2.405 30 10 IEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2)CC1 1507884823 MSUBSHFWRJTNFE-LJQANCHMSA-N 449.552 2.149 30 10 IEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1508103075 DXCCLFJPLRTRAL-KRWDZBQOSA-N 435.532 2.384 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)C1 1508111467 FXOLELJOIRTTOY-NRFANRHFSA-N 433.516 2.489 30 10 IEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508147928 NOFGIJWIEBIFFU-UHFFFAOYSA-N 446.621 2.415 30 10 IEEE C[C@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)C1 1510292842 ZPTLVUSHQCSBPC-FZKQIMNGSA-N 432.326 2.444 30 10 IEEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1516979198 GOMSZJJNFKUCDN-MOPGFXCFSA-N 439.520 2.390 30 10 IEEE CO[C@]1(C)CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517887439 OQTSJOXWRZTJNJ-LBMBTHBCSA-N 436.516 2.477 30 10 IEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1518719831 QGUDPSFFJOEDLF-IMFGXOCKSA-N 438.532 2.068 30 10 IEEE CS[C@@H]1CCCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1520153658 NRHBVDHWBRWBRU-ZBBYCGENSA-N 430.578 2.479 30 10 IEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1521101730 HSAGRIPXPOZKBS-KNQAVFIVSA-N 440.479 2.366 30 10 IEEE Cc1nn(C)c(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c1C#N 1528123491 RVYOGBOGZQYGKA-UHFFFAOYSA-N 430.262 2.378 30 10 IEEE Cc1cc(F)ccc1N(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1534817392 QJIVOROITRBNNJ-UHFFFAOYSA-N 435.452 2.465 30 10 IEEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2=O)cc1 1536662408 CLBHRSRSJMLGJX-SIKLNZKXSA-N 432.480 2.470 30 10 IEEE Cc1cccc(-n2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C(F)(F)F)c1 1538539334 FIHQPCJXTMFLDJ-UGSOOPFHSA-N 438.431 2.210 30 10 IEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539067220 BHOWIOQKXKULKD-OAHLLOKOSA-N 440.529 2.021 30 10 IEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539206940 XVFXCDVERLNTBV-UXHICEINSA-N 442.585 2.483 30 10 IEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1539219929 OPJIDWOTWIRJJI-OAQYLSRUSA-N 442.585 2.397 30 10 IEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539220823 LZXZRHPGWOMFNW-HNNXBMFYSA-N 434.484 2.489 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1539230188 CJDZSUUZUFQTRI-QFIPXVFZSA-N 448.571 2.335 30 10 IEEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1539330332 IBYMHKGMNPYVJQ-ZHALLVOQSA-N 441.475 2.495 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)c2nccs2)CC1 1539482535 URWNVWHDJOAYHW-RDJZCZTQSA-N 428.562 2.008 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)(F)F 1539659283 QKAWBBKLBTXLFB-UHFFFAOYSA-N 449.441 2.002 30 10 IEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539722988 MIJALFSIUOBSQR-SJORKVTESA-N 445.568 2.482 30 10 IEEE C=CCOc1ccc(Cn2c(N3CCS(=O)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1540878649 DBFHBRJKTITUGT-QFIPXVFZSA-N 446.573 2.112 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCOC2)C1 1540894937 HSHXGUFXIMKIQR-SJORKVTESA-N 431.562 2.478 30 10 IEEE CC(C)N1CCC(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1543362803 SMTJRXVBWSUEDE-HXUWFJFHSA-N 425.533 2.390 30 10 IEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1547236342 AOZWPJPINFKAFI-UHFFFAOYSA-N 449.559 2.324 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)n1 1556461203 SHPHXCINCZGHSR-UHFFFAOYSA-N 447.561 2.329 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n[nH]2)c1C 1567337064 XJFKJIADHWOPDT-QFIPXVFZSA-N 433.472 2.188 30 10 IEEE CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1584060363 SXQSPZAWYVNQTC-MRXNPFEDSA-N 436.465 2.476 30 10 IEEE C=CCOCCCNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1584722157 LCCFHNATNYYLBQ-GOSISDBHSA-N 444.557 2.432 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1588113970 XKZGBRLOPRMFGF-FQEVSTJZSA-N 438.482 2.246 30 10 IEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1588314370 CMDZFNADAMWRRN-SFHVURJKSA-N 448.575 2.079 30 10 IEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ncn(-c2ccccc2)n1 1588673645 VWYRPEFXDBPFNN-UHFFFAOYSA-N 448.556 2.349 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1593741160 JTXIVUWOZHFJPH-MSOLQXFVSA-N 441.532 2.488 30 10 IEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1594608600 QSQIZAQSRCTQKD-INIZCTEOSA-N 437.548 2.367 30 10 IEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1594669386 XSOMRHSGOADEGN-WOJBJXKFSA-N 431.629 2.377 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1595506637 HSHJUEDZPJWBOI-QKKBWIMNSA-N 449.914 2.424 30 10 IEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1595538092 ZEFNEVMOYLWIEO-MRXNPFEDSA-N 449.559 2.367 30 10 IEEE O=C(CCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCOCC1 1598482911 HFXTZOVAYUYUDH-AOOOYVTPSA-N 438.315 2.255 30 10 IEEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCC(=O)N(C)C)o1 1612034206 WHKPURCIDRSWJY-UHFFFAOYSA-N 435.488 2.250 30 10 IEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1613124686 SLLGDIHOAQBDDO-XCRNZQRYSA-N 427.505 2.087 30 10 IEEE CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1614226455 VAGPENDMLRIUOZ-AYAKEVCGSA-N 440.479 2.226 30 10 IEEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)CC2)o1 1618779812 UKBGDAOPSCMHTB-UHFFFAOYSA-N 443.529 2.292 30 10 IEEE COCc1nocc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1619676690 DHJHVQHUHPXBKR-IBGZPJMESA-N 427.396 2.478 30 10 IEEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1620463795 UXLZXBLQCPAGJY-CVDCTZTESA-N 429.517 2.113 30 10 IEEE C=CC[C@]1(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCCN1C(=O)OC(C)(C)C 1627345744 CIJWGLGWAUNMCJ-HSZRJFAPSA-N 443.548 2.175 30 10 IEEE Cc1cnn(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(N)cc2F)c1 1629507313 WUBIHLIWJQLXAS-AWEZNQCLSA-N 428.468 2.487 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2N2CCCC2)c1 1630751832 GNKPJSWALSBICU-PKTZIBPZSA-N 437.565 2.480 30 10 IEEE N#Cc1cn(CC(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)c(=O)nc1O 1633653152 RYLHPAUAJZQYLV-INIZCTEOSA-N 438.419 2.154 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 1636145640 WIYNJDAVYMJYHG-HNNXBMFYSA-N 447.504 2.429 30 10 IEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1639347657 NSTZIRWGRPBEJU-HNNXBMFYSA-N 430.486 2.082 30 10 IEEE CC(C)[C@@H](Nc1ncc(Br)cc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1639867682 APSFSTMWHJQEPL-MRXNPFEDSA-N 432.326 2.349 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)C1 1644149534 HOSICRDKVADJRH-UYAOXDASSA-N 447.377 2.251 30 10 IEEE COc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)NCc1ccccn1 1648969066 VCGCMVOBFCSVRA-SJLPKXTDSA-N 428.514 2.333 30 10 IEEE Cc1ccc(C(=O)N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1S(=O)(=O)NCC#N 1649058061 XGVJAGJMZLVSMR-XMSQKQJNSA-N 441.509 2.210 30 10 IEEE CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1649576613 UDLJUTGEGZAORX-IHPCNDPISA-N 446.596 2.384 30 10 IEEE C=CCOc1ccc(CNS(=O)(=O)c2cnn(C)c2I)cc1 1663275499 MINKRLWWGXJYQS-UHFFFAOYSA-N 433.271 2.068 30 10 IEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cccc(C(=O)OC)c2Br)n1 1668983912 RCPBSKFZKPGHJV-UHFFFAOYSA-N 440.319 2.276 30 10 IEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OCC)c(C)c([N+](=O)[O-])c1 1670200412 KIJQVUGPTZSASL-UHFFFAOYSA-N 440.474 2.046 30 10 IEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)c(C)s1 1683590445 QDIKCNMTYYZQER-IBGZPJMESA-N 444.582 2.420 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1689830656 BGUAJPFIYLPNGI-XMSQKQJNSA-N 446.573 2.252 30 10 IEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1689887015 MUZUQZFCBVTXSV-INIZCTEOSA-N 447.561 2.213 30 10 IEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC1CCCCC1 1689973551 HKOJJUMFRHLQKG-UHFFFAOYSA-N 428.562 2.178 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1690042051 RTEWDHUVHCZBDA-UHFFFAOYSA-N 426.542 2.241 30 10 IEEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1690072497 KHVYGZTXVQHQGV-LSDHQDQOSA-N 429.484 2.412 30 10 IEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C2CC2)ccc1F 1690103451 CUELDTWHMVYBLJ-SFHVURJKSA-N 446.548 2.331 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OCCC)c(OC)c2)CC1 1690138271 XMHOLIOWIPOBGR-UHFFFAOYSA-N 425.533 2.398 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690224099 BBONPDVOBJQWLB-HNNXBMFYSA-N 445.321 2.326 30 10 IEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1690517698 LDMFAHGUSMQMHL-MRXNPFEDSA-N 431.537 2.314 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1690588554 ZXNSFDPUBGKTHX-UHFFFAOYSA-N 437.953 2.112 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCOCC2)C1 1690712645 ZSXLNYRQUQVUCJ-QGZVFWFLSA-N 431.562 2.478 30 10 IEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2ccc(F)cc2F)CC1 1692542876 HYBXIZDGUDWMOU-HNNXBMFYSA-N 430.459 2.155 30 10 IEEE C[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1693637423 BNUHIIYJBXUYBQ-FUHWJXTLSA-N 446.577 2.150 30 10 IEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cnn(CC(C)C)c1C 1694740606 YVCOTPCCHDCFAQ-KRWDZBQOSA-N 448.579 2.427 30 10 IEEE CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H](C)C1CCC1 1695551564 ZXVHEVYDPDPBFZ-DSGGYQJVSA-N 436.520 2.276 30 10 IEEE CNC(=O)[C@H](C)CN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1696915307 SGUYWKKOZOGSMF-MRXNPFEDSA-N 436.516 2.403 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1697778211 WYGAXQMWUTYPPA-SFHVURJKSA-N 443.527 2.431 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCN(C)C1 1705479343 HTMAPPFWBDXACS-DJJJIMSYSA-N 436.329 2.371 30 10 IEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1705500655 RKIHRORQCLQFBN-SFHVURJKSA-N 436.560 2.389 30 10 IEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1705542296 CHOIQIPXACLJJM-AWEZNQCLSA-N 425.942 2.032 30 10 IEEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1705570005 JHLBRHKDYFJQGF-SFHVURJKSA-N 429.590 2.476 30 10 IEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC[C@H]1CCOC1 1705582953 NLGAHMXHAKPPQI-KNQAVFIVSA-N 436.512 2.307 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705587880 MWQKETYYTYHTHF-CMOCDZPBSA-N 427.593 2.443 30 10 IEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CCC1 1705601132 YZDOYMUXUYQZFM-UHFFFAOYSA-N 440.569 2.330 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC(=O)NCc1ccco1 1705619875 DVBVIFOLASZFEK-GOSISDBHSA-N 437.475 2.470 30 10 IEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCCCC2)C1 1705651981 MPJWZHCZTGZARV-MRXNPFEDSA-N 425.624 2.415 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1705921827 AAJJRADPUQXVFC-GOSISDBHSA-N 443.552 2.327 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC(C)(C)[C@@H]1C 1705933168 WWVCRHBVTRYIDK-HNNXBMFYSA-N 448.545 2.278 30 10 IEEE CCSCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1710962558 VALUXOQFKAXTSC-HNNXBMFYSA-N 439.545 2.064 30 10 IEEE CN(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711018512 XWDKPDZWUSCABI-NHCUHLMSSA-N 440.548 2.157 30 10 IEEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1712596339 QGXQDTMNQWXBQY-NRFANRHFSA-N 441.532 2.254 30 10 IEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(C)(=O)=O 1722348259 UHDDTXPMTPPMFR-UHFFFAOYSA-N 440.367 2.025 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722366529 RKFGADFFIIOBDW-QZTJIDSGSA-N 432.571 2.250 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CC(=O)N(CCOC)C1 1722379061 VJKGVRHZFIMAOL-IBGZPJMESA-N 442.523 2.061 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1722446406 VIGIMLFZKYXZQK-LJQANCHMSA-N 426.590 2.486 30 10 IEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CN2CCOCC2)CC1 1722459014 AMRAWVBZGQFWOB-FQEVSTJZSA-N 433.622 2.435 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722463213 YTIAPCUHBRWTAD-IBGZPJMESA-N 439.585 2.467 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1722467933 XWAOOBRGXYYXJG-YCRPNKLZSA-N 449.552 2.214 30 10 IEEE C=CCCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722601386 WJPSVTKJGGYUPV-UHFFFAOYSA-N 433.582 2.065 30 10 IEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722691297 RGPWLWJTNZRZND-IAGOWNOFSA-N 425.599 2.291 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](OCCOC)C1 1722694923 MFEKWACGYUPNLA-SFHVURJKSA-N 436.516 2.037 30 10 IEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1722700601 NJWJYKKMHLGRLC-LJQANCHMSA-N 435.532 2.255 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)C1 1722722142 MVGCABFOBSMLHW-LYHRCORUSA-N 428.533 2.199 30 10 IEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1729609780 GDASIXBQAOWICX-CQSZACIVSA-N 432.912 2.108 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCCO1 1740540525 WEJJVOHIPVXMKC-KKSFZXQISA-N 431.562 2.222 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CCC1 1740540719 YIPBTXJAEPLQHW-HBIPHATFSA-N 434.587 2.108 30 10 IEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740591486 SWRARLVCGFTSTP-FQEVSTJZSA-N 425.581 2.258 30 10 IEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1740610611 GVDRIMGDLDFDDE-IBGZPJMESA-N 446.596 2.388 30 10 IEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1=O 1740664150 GGOUCZDVSNPASK-UHFFFAOYSA-N 443.573 2.211 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(F)c(F)c2)CC1 1740698575 XOHYEPQBUPDTBJ-UHFFFAOYSA-N 438.482 2.376 30 10 IEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740715674 LMBZXCPWJQOTAH-MRXNPFEDSA-N 443.598 2.427 30 10 IEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740721087 WTWVVPSFWPNMQU-LJQANCHMSA-N 431.631 2.455 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCCC(=O)NC 1740762736 FYTSEROLNKYGNH-RXVVDRJESA-N 429.569 2.083 30 10 IEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1740792883 MLRFEFYCEDGUJC-SFHVURJKSA-N 443.527 2.073 30 10 IEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1740887138 CZNODPXHLMPOKM-GHTZIAJQSA-N 441.532 2.488 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1Cc1cccs1 1740950784 HPEJTHGIQWNQLJ-MRXNPFEDSA-N 428.562 2.089 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCOCC2)C1 1740984484 CLMXQENLVCPELO-IBGZPJMESA-N 432.496 2.319 30 10 IEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)cc1C 1742253995 JYXYBUIHYSYPKS-HXUWFJFHSA-N 435.532 2.138 30 10 IEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1747419955 NCERMAZDODUQBA-CEXWTWQISA-N 429.546 2.113 30 10 IEEE CN(Cc1ccco1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747760456 GSWZNUYMIACDEQ-QZQOTICOSA-N 433.472 2.020 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1F 1748640477 VQGVNUAPFFLBPE-LSDHHAIUSA-N 439.582 2.419 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccccc1F 1748948008 DDAVMPRRONKESO-KRWDZBQOSA-N 429.496 2.207 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)CN2CCCCC2)CC1 1748971523 TYBGCICXDXBQIG-HXUWFJFHSA-N 443.640 2.074 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCc2cnc3c(Cl)cnn3c2)CC1 1748972446 JRLLTYZAGPJVBR-MRXNPFEDSA-N 426.956 2.486 30 10 IEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749241044 CWPZJLYLPNPGLK-VQTJNVASSA-N 430.553 2.441 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749268638 DPCSDXMKFMMSGG-ZBFHGGJFSA-N 428.002 2.243 30 10 IEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)OC 1749327069 IAYFSLPLYJDWOA-RXVVDRJESA-N 435.532 2.281 30 10 IEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1)c1ccccc1 1749383535 ZORWLHHZIBYHGC-NEWSRXKRSA-N 433.578 2.473 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCc2ccccc21 1749721635 PXKYHVMMRVPBII-IBGZPJMESA-N 443.573 2.239 30 10 IEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCCC1 1760199214 RMOHLPGYROAQJK-UHFFFAOYSA-N 426.542 2.384 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2c(C)noc2C)CC1 1760268575 UUOQYENYGIXTKW-UHFFFAOYSA-N 435.532 2.097 30 10 IEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760393480 RWGDYIGKTRKPSX-KRWDZBQOSA-N 432.546 2.457 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]1c1nncn1C 1760520449 NPEUGLLQTGTADK-MRXNPFEDSA-N 426.912 2.371 30 10 IEEE Cc1nc(Cc2nnc(N(C)CCC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1762271712 PUMNJISVYGDHKG-VXPUYCOJSA-N 441.561 2.397 30 10 IEEE CCN(CC)CCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766681459 GXVZJVKDUNRGRM-UHFFFAOYSA-N 433.520 2.002 30 10 IEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1769585811 BZMFJQGORKCOTK-QZTJIDSGSA-N 440.548 2.457 30 10 IEEE CO[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1769658104 DZCKTJAKQFBIIA-OALUTQOASA-N 425.537 2.046 30 10 IEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCOCC(F)(F)C(F)F)cc1 1770740294 NPNITLWETFUTOB-UHFFFAOYSA-N 440.401 2.060 30 10 IEEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCOCC2)CC1 1771533919 FPINVZDLTQQFFS-UHFFFAOYSA-N 435.326 2.317 30 10 IEEE CNC(=O)c1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)c1 1772888433 JYNPISBLRQMRPT-CQSZACIVSA-N 435.488 2.152 30 10 IEEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)COc1ccc(-n2cnnn2)cc1 1849313883 AWVCWPTZENBMCL-UHFFFAOYSA-N 440.261 2.050 30 10 IEEE Cn1c(=O)c2ccc(C(=O)N3CCCc4nc(C#N)cc(Br)c43)cc2n1C 1849739373 OJTGJXBMEPZZSF-UHFFFAOYSA-N 426.274 2.499 30 10 IEEE N#CCc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)nc1 1851601237 QXYSXOAWLTVFGW-UHFFFAOYSA-N 449.902 2.416 30 10 IEEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)Nc3c(C#N)cnn3C)c2C)C1 1852652400 KFCQHZPWDFKMGD-ZDUSSCGKSA-N 437.426 2.326 30 10 IEEE Cc1ccc(-n2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)nn2)cc1C 1852769546 SMLRRALDTQDWQA-UHFFFAOYSA-N 431.500 2.130 30 10 IEEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(OCC(F)(F)F)ncn3)C2)CC1 1857209154 XDSLOIQKHUEWAW-AWEZNQCLSA-N 425.411 2.032 30 10 IEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc2c(c1)OCCO2 1862746036 XFCPRLCEGJEJTQ-BLVKFPJESA-N 440.408 2.325 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(-c1ccccc1)nn2C 1864321728 WPNKKAAALMEIFB-IBGZPJMESA-N 446.507 2.455 30 10 IEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(O)CC2)=C(N)Oc2c1c(CC)nn2C 1865224050 BKSYEYGSAQNOIE-IBGZPJMESA-N 438.528 2.225 30 10 IEEE Cc1ccc(C(=O)NC(C)(C)C(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1866646557 HLKRMGRWPTVXKU-UHFFFAOYSA-N 428.514 2.264 30 10 IEEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622726 ARFNVHKEWJMALS-UHFFFAOYSA-N 447.547 2.282 30 10 IEEE O=c1c(Br)c(N/N=C/c2ccc(Cl)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 1873527116 MGMRJYWDIFAQKZ-CIPPFVMLSA-N 445.726 2.465 30 10 IEEE COc1cccc(OCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890308244 NEXRSIWROCADBL-UHFFFAOYSA-N 443.588 2.111 30 10 IEEE C#CCOC1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 1891393329 QNOKBVWMICSRGF-KRWDZBQOSA-N 449.536 2.260 30 10 IEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 2013641037 QZLODVIGLWWLHB-HNNXBMFYSA-N 440.541 2.062 30 10 IEEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2224130827 NRTRBCOQXYMNAE-DLBZAZTESA-N 431.342 2.205 30 10 IEEE C#CCN(C(=O)c1nn(C)nc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 2226975653 YZBVNJKOEWRUJU-UHFFFAOYSA-N 426.315 2.053 30 10 IEEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O 2229095774 GFFUTOVNKXTSDU-CQSZACIVSA-N 425.279 2.089 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247906464 NQZDDAJRSDDONG-STQMWFEESA-N 437.371 2.475 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2253627480 BCMDRRLZXXASRB-NQNKBUKLSA-N 436.358 2.297 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2COC[C@@H]21 2255343468 XELBFURNLSHBOJ-PMPSAXMXSA-N 432.326 2.394 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255368372 IQRUAHLVPBRPRE-CVEARBPZSA-N 433.358 2.411 30 10 IEEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255596630 NFYJHFOYJQYMFO-OAQYLSRUSA-N 434.346 2.132 30 10 IEEE Cc1sc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)cc1B1OC(C)(C)C(C)(C)O1 2255607934 FQQBBDBZEIAFSB-UHFFFAOYSA-N 442.390 2.332 30 10 IEEE Cc1ccnc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255631279 WKLUFEKDSOUENO-HNNXBMFYSA-N 431.342 2.428 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255802736 CYVAVMFIGBVYPU-OAHLLOKOSA-N 431.342 2.368 30 10 IEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)CC2)C1 2255866037 NKUKBTZRQSRJKC-DLBZAZTESA-N 435.374 2.232 30 10 IEEE Cc1nc(NC(=O)[C@@H]2C[C@H](C)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256597200 DJSCYFMVMCWSGA-WFASDCNBSA-N 432.330 2.421 30 10 IEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CO1 2258961136 OZFXYXHXACZQTJ-IAGOWNOFSA-N 436.358 2.447 30 10 IEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2267526756 XLMIXTNCQALINM-UHFFFAOYSA-N 446.357 2.182 30 10 IEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1NC(=O)OC(C)(C)C 2267549731 PCEKWTCRQQZZSE-HOCLYGCPSA-N 446.357 2.151 30 10 IEEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#Cc2ccc(Br)cc2)CCS(=O)(=O)C1 2278809678 PCDMABIJKGBIHI-QAPCUYQASA-N 443.363 2.210 30 10 IEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315682770 AEAVUSSWNAMADU-WDEREUQCSA-N 447.288 2.114 30 10 IEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)n1C 2337191214 WQEOBDILZMGXAL-GJZGRUSLSA-N 448.373 2.061 30 10 IEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651528 PBCCPQLYPGYPEM-QAPCUYQASA-N 448.369 2.185 30 10 IEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1 20827548 VDLQMMJYUBEMKJ-ZVBGSRNCSA-N 443.537 2.345 30 10 IEEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(=O)NC(C)(C)C 29705563 JJIIHOKEVBXMQT-INIZCTEOSA-N 429.565 2.203 30 10 IEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3Cl)n[nH]2)cn1 59886597 ZZALYOJGALHBQA-UFWORHAWSA-N 434.913 2.478 30 10 IEEE C=CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)Cc1cccc([N+](=O)[O-])c1 63297539 ZGCBSCLODDMGNP-UHFFFAOYSA-N 432.502 2.438 30 10 IEEE CN1CCC[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(F)(F)F)cc1 301294839 REELCBKIRFGOEP-YOEHRIQHSA-N 435.450 2.469 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cc1 427997878 SYAYWJLOEVMDJT-LJNBNGNOSA-N 426.538 2.003 30 10 IEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 465283544 HBPBCILSQIGDJC-HUUCEWRRSA-N 427.459 2.125 30 10 IEEE COc1cccc(Cl)c1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479965158 VVWNPPJFBHIMMC-UHFFFAOYSA-N 448.932 2.436 30 10 IEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)C2=O)cc1 489276213 HILAWBCTKBTOLU-YOEHRIQHSA-N 431.418 2.322 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)CC1 490187436 MSNSRDLYEBMBCA-UHFFFAOYSA-N 427.549 2.073 30 10 IEEE COc1cc(OC)c(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 491293927 HRVKGQKTWLEBQR-UHFFFAOYSA-N 445.541 2.481 30 10 IEEE COC(=O)c1cc(I)cc(NC(=O)Cc2noc(C)c2C#N)c1 500384040 BNEGGUYXUZKRIP-UHFFFAOYSA-N 425.182 2.427 30 10 IEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508507541 UHUREASARLCWGY-FDDCHVKYSA-N 426.517 2.274 30 10 IEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 508918430 FMWBWZGNQOWNBR-DYESRHJHSA-N 432.546 2.309 30 10 IEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508929943 JXCFNSDGLQTRIG-JOCHJYFZSA-N 442.583 2.425 30 10 IEEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 509016341 ZHAYMKMDVWPAEA-HXUWFJFHSA-N 440.592 2.371 30 10 IEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cn2)c1=O 523668781 RSNNZVXNVADHCZ-UHFFFAOYSA-N 430.327 2.126 30 10 IEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(Cc3ccccc3)c2=O)nc1 532140777 OFSNNHPURQSQAH-UHFFFAOYSA-N 444.560 2.223 30 10 IEEE C[C@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 540200057 ANUGCSBQFJDBBJ-NYIIQSBFSA-N 429.476 2.392 30 10 IEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@]2(CCOC2)C1 549271939 WLDWCEYNQFFWEP-OAQYLSRUSA-N 446.577 2.118 30 10 IEEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 559162993 JLLJDMFRCQJSFE-UHFFFAOYSA-N 447.568 2.351 30 10 IEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 574964397 HUHNDUBLTRDYEB-HNNXBMFYSA-N 425.580 2.427 30 10 IEEE N#Cc1c(NC(=O)C[S@@](=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 586298530 GABRAKDCVVUMLN-PMERELPUSA-N 441.534 2.482 30 10 IEEE N#Cc1ccc(N2C(=O)N[C@H](CCc3nc(Cc4ccc5c(c4)OCCO5)no3)C2=O)cc1 612892656 OFRBDSJCYHHZSE-QGZVFWFLSA-N 445.435 2.361 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C)c(C)c3)c2=O)cc1[N+](=O)[O-] 730250887 CPZQOZMDYRSWRN-UHFFFAOYSA-N 432.461 2.459 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CSc1nnc(C)n1Cc1ccccc1 734292593 CBUDVAASHSBTFN-UHFFFAOYSA-N 441.538 2.412 30 10 IEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(C#N)nc1 734598922 BQVTVQWSAOFJLY-UHFFFAOYSA-N 442.497 2.232 30 10 IEEE N#CCOc1ccc(Cl)cc1COC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750369146 UNTGZAZEHZGJQS-UHFFFAOYSA-N 427.844 2.230 30 10 IEEE C[C@]1(C(=O)O)COC[C@@H]1NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757487876 WZDZDFBCZFPNQI-OFVILXPXSA-N 448.475 2.134 30 10 IEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1nc(C(F)(F)F)ccc1C#N 771179385 KGEARIMFTOEOIT-UHFFFAOYSA-N 427.427 2.488 30 10 IEEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(NC(C)=O)nc2)C1=O 788409485 COSJONQAYCTXMV-QGZVFWFLSA-N 436.497 2.179 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCOC[C@@H]2CC(F)F)c1 806217583 JVKUBHATLAYYBH-KTNMXJNISA-N 430.477 2.387 30 10 IEEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F)C1CC1 814705252 YGHCYFNZKAIDQK-QZTJIDSGSA-N 436.553 2.250 30 10 IEEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cc2F)c(=O)n1C[C@H]1CCCO1 917355729 APPMXSQRKRJHGV-CQSZACIVSA-N 434.290 2.017 30 10 IEEE COc1cc(C=NNc2nnc(SCc3ccc(F)cc3)n2N)cc([N+](=O)[O-])c1O 1084463560 GCSMMUUNYJXDJI-UHFFFAOYSA-N 433.425 2.492 30 10 IEEE C[C@@H](NC(=O)CSc1nnc(NN=Cc2ccc(N(C)C)cc2)n1N)c1ccccc1 1084642633 MJJBOPSJWLMEGC-OAHLLOKOSA-N 438.561 2.473 30 10 IEEE C[C@@H](NC(=O)CSc1nnc(NN=Cc2ccccc2[N+](=O)[O-])n1N)c1ccccc1 1084654718 VRPGEBLWAGAOEN-CYBMUJFWSA-N 440.489 2.316 30 10 IEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N(CC(F)F)C1CCS(=O)(=O)CC1 1128627982 QWDOXZSTMANWMT-AWEZNQCLSA-N 437.509 2.244 30 10 IEEE C#CCN(C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1142046967 SEAJNVUYIARFSN-HOCLYGCPSA-N 437.518 2.009 30 10 IEEE COc1cccc(CN(CCN(C)C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1154265518 DLIKWTTWDYNLPC-UHFFFAOYSA-N 433.505 2.336 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)s1 1159218733 KQCGINZLXRPCDE-UHFFFAOYSA-N 443.572 2.301 30 10 IEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCC[C@@H](C)O3)nnc12 1161657026 PKVSCIVSWHBTNE-HUUCEWRRSA-N 427.530 2.396 30 10 IEEE COC1(OC)CC2(CN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[C@H]2C(C)C)C1 1163813193 QHLGDJDXFOYQLM-SFHVURJKSA-N 435.546 2.047 30 10 IEEE COc1ccc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(Cl)c1OC 1228973281 CABCEOJKQNQSQS-CQSZACIVSA-N 444.923 2.482 30 10 IEEE C#CCN(c1nnc(CCOc2ccccc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1286393805 SEEXROINNRCFBA-JENIJYKNSA-N 432.521 2.057 30 10 IEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1286397664 UAKZITADCNMTSZ-AWEZNQCLSA-N 440.928 2.282 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSc2ccccc21 1286419642 BQKVPBLOSUGCQL-IRXDYDNUSA-N 443.598 2.241 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCSCC#C)CC1 1286489264 LTHOAVDPAORUHI-UHFFFAOYSA-N 437.569 2.286 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286563032 UDBFLHYBJGCMPR-HKUYNNGSSA-N 448.593 2.020 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ncnn2C(C)(C)C)CCOC1 1288299556 CQHBFIPEZMDBKN-JOCHJYFZSA-N 442.568 2.453 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1292759215 BXXZNMWEYZDRFF-DEOSSOPVSA-N 446.559 2.425 30 10 IEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1292759836 HCEOUEOJDFTRTN-SFHVURJKSA-N 446.559 2.425 30 10 IEEE C#C[C@@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1299188144 NOKBWKLASWLBQD-GOSISDBHSA-N 442.493 2.123 30 10 IEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300496864 VNPORTOLXDGNRJ-SJORKVTESA-N 448.614 2.448 30 10 IEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1-n1cccn1 1300597543 LRBQOYDCRKGBEY-UHFFFAOYSA-N 427.472 2.014 30 10 IEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1300703619 MWARXJVTBUNFFC-CYFREDJKSA-N 435.576 2.069 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCSC2)CC1 1300725062 FPRDZZCNZJFNNV-HKUYNNGSSA-N 431.606 2.281 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1300788694 IVUSVAALLZGTDB-GOSISDBHSA-N 444.341 2.115 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)C1 1300892831 VRIMFNXGXABMMO-GCJKJVERSA-N 425.533 2.391 30 10 IEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)CC1 1301123620 CSKLFWOALSCUOC-LJQANCHMSA-N 449.621 2.375 30 10 IEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301152379 YMTOJCMIRBHRGS-SJORKVTESA-N 430.553 2.151 30 10 IEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1301391345 TUFQBSWAWPVGJV-SFHVURJKSA-N 429.546 2.365 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301491079 DARTWAHPGVELAA-SFHVURJKSA-N 425.533 2.330 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C)C1 1301568397 GCNKEUMOJDWVDR-HOTGVXAUSA-N 438.525 2.383 30 10 IEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(C)C)C2)CC1 1301766333 FUMQUNONYWDYCQ-QFIPXVFZSA-N 435.576 2.463 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1302095899 FZJKDLCCSYSHKY-AHRSYUTCSA-N 446.527 2.173 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1302861347 ZFRMOCUOHGPZIX-QNLHBCBFSA-N 430.509 2.251 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1312090812 HPODGRYZZJJMBB-RDJZCZTQSA-N 427.592 2.356 30 10 IEEE CCOCc1nnc(N2CCc3c(C)cccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314356144 OSAQWCSYGYEPFA-DQRAZIAOSA-N 436.516 2.212 30 10 IEEE CO[C@@]1(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1315280722 CATJURPIYZZVGM-HSZRJFAPSA-N 435.532 2.453 30 10 IEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](SC)C(C)(C)C 1316101271 GDPKFBLPSCZRLR-JKSUJKDBSA-N 443.639 2.324 30 10 IEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)C1 1342228619 LYJRMSHUZJRJIO-OKZBNKHCSA-N 442.603 2.319 30 10 IEEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1349820274 RGGAORUIKMQVCX-UHFFFAOYSA-N 429.445 2.378 30 10 IEEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358945133 VHDBONDEKUBYOX-ROUUACIJSA-N 437.523 2.369 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1358986070 NDORXGSALGRTQR-NRFANRHFSA-N 449.555 2.357 30 10 IEEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCN(C(C)=O)CC1 1359000956 IHWQBFZLAQYJST-UHFFFAOYSA-N 434.588 2.372 30 10 IEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1359008929 DKXQEWSKYSZWII-QGZVFWFLSA-N 432.569 2.330 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCN(CC)CC2)CC1 1359033899 VJAALUUMYDSTTC-UHFFFAOYSA-N 435.620 2.036 30 10 IEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)[C@H](C)C1 1359061474 CVBLVLULPPBULU-QGZVFWFLSA-N 443.573 2.289 30 10 IEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1359081509 DCWHBVHFYYSJJG-UHFFFAOYSA-N 434.342 2.178 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC(C)C)CC1 1359100312 ZTTSXHVAPLXMPV-NJYVYQBISA-N 433.597 2.310 30 10 IEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359136026 XFOMAQDPJUIPIJ-MRXNPFEDSA-N 447.561 2.252 30 10 IEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359205865 MGZSNHSNBYPOGI-HXUWFJFHSA-N 441.580 2.476 30 10 IEEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1359268499 SASYGHUOFBTQOQ-UHFFFAOYSA-N 446.396 2.497 30 10 IEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCCOC)C1 1359298983 QRXCMUBNHLWXGP-KRWDZBQOSA-N 438.532 2.360 30 10 IEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1c(C)noc1C 1359299233 ZLKRESFKBQTHOV-UHFFFAOYSA-N 448.487 2.137 30 10 IEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1445866143 JTTIQGYNPKWVGE-QGZVFWFLSA-N 442.582 2.036 30 10 IEEE N#Cc1ccncc1N1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 1450467304 FEQSLMCGFFKBSR-UHFFFAOYSA-N 431.250 2.169 30 10 IEEE C=C(C)C[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1454718403 UXLLLSHQBAOIFH-IBGZPJMESA-N 433.530 2.038 30 10 IEEE CCc1nnc(N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1CC 1458638198 LXZNXOZDUIIZDA-MRXNPFEDSA-N 429.521 2.319 30 10 IEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 1464512649 KDRQHZYELDMAJY-OAHLLOKOSA-N 425.480 2.229 30 10 IEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)n[nH]2)c1C 1466081887 GRQSBHBTOJQPIF-IERDGZPVSA-N 425.581 2.174 30 10 IEEE CCOC(=O)c1c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(C#N)cn1CC 1466880510 GDPFLBJYWDLBLI-DLBZAZTESA-N 428.493 2.410 30 10 IEEE C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)c1ccccc1 1470662674 JPNJIHMSQTZGFT-RBUKOAKNSA-N 428.533 2.423 30 10 IEEE N#Cc1ccc(-c2cc(N3CCN(CCS(=O)(=O)c4cccc(C#N)c4)CC3)n[nH]2)cc1 1473623073 HRXIFXWMZYDZML-UHFFFAOYSA-N 446.536 2.416 30 10 IEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1503850233 FMWSENXDIMVLLG-QUCCMNQESA-N 437.500 2.463 30 10 IEEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC[C@H]1C 1504500649 VKASJYVXMXHFEV-FOIQADDNSA-N 431.500 2.220 30 10 IEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1504686210 ZJDMLDDSELAYIM-FPOVZHCZSA-N 441.532 2.397 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCO[C@H]1CCOC1 1505080255 GXAQXPHTHHFNEN-UFYCRDLUSA-N 433.553 2.328 30 10 IEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507565369 DNHDBQJTSVNGEG-FQEVSTJZSA-N 440.617 2.477 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1c(C)noc1C 1507609079 WMHPXZGTSHLFTJ-UHFFFAOYSA-N 427.534 2.155 30 10 IEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507622084 FPHRXHKDTDKDLV-YQVWRLOYSA-N 449.621 2.259 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1507667195 OUYLQMWMHPDMMJ-UHFFFAOYSA-N 428.496 2.242 30 10 IEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1507753054 HXTRMVBUTZAZMG-SFHVURJKSA-N 439.541 2.485 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507806137 RITIOKJJWZUPAI-SBHAEUEKSA-N 445.589 2.259 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1507814886 FEUAGEPJFFDFEJ-UHFFFAOYSA-N 447.503 2.149 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nccs2)CC1 1507962638 VFWFCWPGTROXFI-UHFFFAOYSA-N 428.566 2.445 30 10 IEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC(O)CC1 1507983862 XSMKIHJCXZSVOB-UHFFFAOYSA-N 438.576 2.028 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CCC)C1 1508074002 NEHUUUSBJIDVFC-QGZVFWFLSA-N 429.521 2.270 30 10 IEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1508084023 FLRPXFHQGYHWPN-UHFFFAOYSA-N 445.571 2.197 30 10 IEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1508150427 LVOVUVMGGJNMKM-UHFFFAOYSA-N 431.522 2.234 30 10 IEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H]1C 1515817078 BDEVCIJJZGOLSF-QZTJIDSGSA-N 439.564 2.174 30 10 IEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CCOC(C)(C)C1 1517104871 AZJXPYCNUMAPDY-UHFFFAOYSA-N 434.548 2.297 30 10 IEEE COc1cc(F)cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1518027745 KTKBCMBEAVBMJP-DENIHFKCSA-N 445.495 2.243 30 10 IEEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cn1 1521103829 JOEPJCSRTNPXPR-UHFFFAOYSA-N 439.324 2.336 30 10 IEEE C[C@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1524445291 TZTWZCTXNOXQAM-LLVKDONJSA-N 434.743 2.485 30 10 IEEE C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1529441368 QLFVNWYHMMTQIS-RDJZCZTQSA-N 435.546 2.461 30 10 IEEE C=CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCCC1 1532701068 LHSSAGIHNCRCDL-UHFFFAOYSA-N 437.537 2.297 30 10 IEEE C#CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2CC)[C@@H]1CCS(=O)(=O)C1 1537473634 FATYJUAHDOKIKA-CQSZACIVSA-N 428.539 2.442 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539022988 SPXVQPDTBFIJSJ-HXUWFJFHSA-N 443.555 2.071 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCSC2)n1 1539423699 CVIBGRHWGTWBRY-ZWKOTPCHSA-N 430.578 2.018 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(C)C)CC1 1539428620 UZBBNCIMBZDCTG-UHFFFAOYSA-N 438.576 2.255 30 10 IEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2cccc(F)c2)CC1 1539429022 ZLCHHKOGFCSFQQ-UHFFFAOYSA-N 426.540 2.288 30 10 IEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539519708 JEFNFQFHFKUXCL-UHFFFAOYSA-N 441.605 2.214 30 10 IEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539752169 FACNJHZMQDRZFZ-IBGZPJMESA-N 448.589 2.484 30 10 IEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1540189132 JIBRBQHOGPVBKT-QGZVFWFLSA-N 436.520 2.023 30 10 IEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540918839 ZUYNAKMMQXYVSB-HXUWFJFHSA-N 428.606 2.484 30 10 IEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 1540964471 HZJVXXNCCHCUTM-UHFFFAOYSA-N 449.559 2.278 30 10 IEEE C#CCN(CC(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)C(=O)OC(C)(C)C 1545472006 SEHOTSFOXDZHLF-GOSISDBHSA-N 431.533 2.265 30 10 IEEE CCNC(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1547755748 BSQONZDJHORZDO-SFHVURJKSA-N 426.496 2.043 30 10 IEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1588069917 UZXUOJGEIVECML-MOPGFXCFSA-N 446.573 2.136 30 10 IEEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)C2=O)cc1 1588080416 VOLHKMLRLKXQNL-QHCPKHFHSA-N 443.467 2.162 30 10 IEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1cccc(C)c1 1588180387 DPQQYSAOXQPOQL-MOPGFXCFSA-N 427.574 2.463 30 10 IEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@@H]1C 1588386209 NWQALTMASXHHCJ-UZUQRXQVSA-N 447.580 2.392 30 10 IEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589357675 DJJBZCUHAJDICC-UHFFFAOYSA-N 433.354 2.064 30 10 IEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1594668202 FQFQTKALLBKIGP-UHFFFAOYSA-N 436.560 2.372 30 10 IEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1595116392 REEJKZIOMWRUIN-LJQANCHMSA-N 426.546 2.339 30 10 IEEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1595303689 YGHRSLDDCSXOKA-RAUXBKROSA-N 441.576 2.313 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1595522585 GIVKUVOOPTVGQI-UHFFFAOYSA-N 444.421 2.014 30 10 IEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1595614201 PQSMEWFDBGMCQH-UTKZUKDTSA-N 445.520 2.235 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1596812935 CHDHHDWHLPBGCP-HNNXBMFYSA-N 437.504 2.121 30 10 IEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1596822705 MZSIQERKFVFXSR-WSTZPKSXSA-N 439.564 2.436 30 10 IEEE CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1597984846 BBTVNFSUEOHJCR-SJORKVTESA-N 426.521 2.426 30 10 IEEE C=CC1(CC(=O)Nc2ccccc2C(=O)NCCC(N)=O)CN(C(=O)OC(C)(C)C)C1 1611324876 BDUNMCXUGFFXQD-UHFFFAOYSA-N 430.505 2.044 30 10 IEEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1612968937 UQVFCHSILLARRF-IWHJNQCMSA-N 444.586 2.399 30 10 IEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@@H]1C[C@@H]1C 1613585343 CACIOWKOMAUIKP-KBXCAEBGSA-N 439.568 2.018 30 10 IEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)C1 1618634061 AINHZMPZLWKLCE-WTPASJBYSA-N 442.589 2.326 30 10 IEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@H](C)CC2 1619912194 UZBJSEQSRFYEJG-ZBFHGGJFSA-N 443.577 2.225 30 10 IEEE CC(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)Nc1nccs1 1623307331 VZALKKLUNOCFPN-OAHLLOKOSA-N 438.506 2.363 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)ccc4c3OCO4)CC2)cc1 1624779774 PHBUEBABKOOHDR-UHFFFAOYSA-N 431.445 2.465 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1 1624811787 WYDJKOKDIMDWDQ-UHFFFAOYSA-N 444.488 2.464 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cnn(Cc3ccccc3)c2)s1 1625568790 ZINOFHCHHJSZPH-UHFFFAOYSA-N 430.555 2.316 30 10 IEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cc4c(nc3O)CCCC4)CC2)cc1 1626138141 DOUDMGWFBGKCKC-UHFFFAOYSA-N 441.513 2.076 30 10 IEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1626841363 SVGAPVVZLNOYOT-HSZRJFAPSA-N 428.533 2.359 30 10 IEEE CCOC(=O)CON=C(C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)c1cc[nH]n1 1627749359 WTKAVDVEMXIAPS-UHFFFAOYSA-N 429.477 2.089 30 10 IEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c1 1628832981 PUJTXYOLRMBYMM-UHFFFAOYSA-N 439.581 2.031 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)s1 1631674653 OCARMBLXGUQWBF-UONOGXRCSA-N 443.591 2.269 30 10 IEEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(F)c(S(=O)(=O)N3CCCC3)c1)C2 1636719758 QTLDAQHEEMNYKY-UHFFFAOYSA-N 434.518 2.324 30 10 IEEE CC1(C)CCC[C@](CO)(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1641655894 YOYFRQHBLPGSDY-QFIPXVFZSA-N 433.574 2.406 30 10 IEEE C[C@@H](CC(=O)NCc1ncc(Br)s1)/N=C1/NS(=O)(=O)c2ccccc21 1643248293 ILXASPCIBADBMK-VIFPVBQESA-N 443.348 2.039 30 10 IEEE O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H](CO)c1ccccc1I 1647755982 JDXCFDVBFYTCNG-HNNXBMFYSA-N 435.217 2.221 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[C@@H]1C(F)(F)F 1648351702 NSQKFNIMKJYJLU-GJZGRUSLSA-N 431.459 2.420 30 10 IEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)ccc1F 1653851455 PBONOOZKFQANBJ-UHFFFAOYSA-N 439.509 2.125 30 10 IEEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1665325749 GPYHLCYSLKQJKY-NSHDSACASA-N 435.296 2.381 30 10 IEEE C#CCN(C(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1)C1CCN(C)CC1 1677729332 VHKYMPJVQVPJLX-UHFFFAOYSA-N 426.561 2.429 30 10 IEEE C#CCN(C)CCCNC(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1678174595 RUZYQVAMMCYPJF-JOCHJYFZSA-N 443.569 2.442 30 10 IEEE N#Cc1cccc(CN2CCC(NC(=O)NCCn3cc(Br)cn3)CC2)c1 1686410362 GDWCVOLKRPGREO-UHFFFAOYSA-N 431.338 2.481 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1689831638 OJSSEBMAAFCUFP-FDDCHVKYSA-N 441.580 2.337 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1689888772 QJCSXBKKLIDMGY-LJQANCHMSA-N 436.564 2.273 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689967725 PAHQUIWUMDPCDA-KRWDZBQOSA-N 425.430 2.341 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1690041685 DJMUQFLGZSGGNO-HXUWFJFHSA-N 441.539 2.471 30 10 IEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1CC1CCN(C(C)=O)CC1 1690107974 KFRFYGFPNPOEMK-UHFFFAOYSA-N 443.523 2.341 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CCN(C)CC2)CC1 1690115779 TXMWMUIGPKJKDC-UHFFFAOYSA-N 428.606 2.429 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNC(=O)C(C)C)CC1 1690119831 UNXPBYFAGLJWTN-UHFFFAOYSA-N 431.544 2.021 30 10 IEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690174626 GECHRIIKTUESEB-UHFFFAOYSA-N 441.667 2.483 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1690202738 CRBYFFOQIRDNPO-YADARESESA-N 434.544 2.409 30 10 IEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1690301127 PRWPSOSDMDXULN-XLAORIBOSA-N 425.599 2.496 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690470512 DHJXSKGRQKTNOI-RWMBFGLXSA-N 425.477 2.011 30 10 IEEE C=CCN(C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690530213 KGELIPHTYXCIJB-UHFFFAOYSA-N 427.530 2.369 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690675777 FARHTDSBBCVQLT-IAGOWNOFSA-N 429.496 2.161 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](COC)C1 1690717501 IAWRWEHJBBSCPY-QGZVFWFLSA-N 440.953 2.051 30 10 IEEE Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1693280248 GYNYQQGPPKFFLQ-MRXNPFEDSA-N 439.545 2.148 30 10 IEEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1(C)C 1693705044 HNOCJZYMYQERGR-KSFYIVLOSA-N 443.573 2.239 30 10 IEEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCN(C)C2)cc1 1696136544 COVXEFIDAJXZEP-IXFSTUDKSA-N 442.564 2.479 30 10 IEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](OC)[C@@H](C)CC 1696328594 DOEBTYOTPCMHPW-HKUYNNGSSA-N 427.553 2.469 30 10 IEEE CO[C@@H]1COCC[C@H]1Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1697703542 LLPPSGOGPLHJBL-RBUKOAKNSA-N 439.564 2.220 30 10 IEEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1698491780 NVCQVZKLEVENQM-ROUUACIJSA-N 438.523 2.268 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC1 1705474825 FUYBGLVAAVKZAQ-LJQANCHMSA-N 436.560 2.470 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1705479622 KHHPIORSKCRCOR-OLZOCXBDSA-N 440.367 2.318 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1705495728 UOSDWPNYWZHYTE-SJLPKXTDSA-N 443.573 2.403 30 10 IEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2ccccc2)C1 1705524257 IIQRECVDAGZJAD-HKUYNNGSSA-N 431.562 2.097 30 10 IEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N(CC)CC)CC1 1705633897 BEHSAPVSZHTGKL-SFHVURJKSA-N 425.537 2.339 30 10 IEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)COC)CC1 1705634113 JUPILTWJNPQPIC-UHFFFAOYSA-N 427.549 2.390 30 10 IEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)s1 1705652199 SCHQXJJDJJCSGZ-AWEZNQCLSA-N 427.621 2.261 30 10 IEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(=O)(=O)CC 1705689025 CHFQCQXVYZSUGF-UHFFFAOYSA-N 448.412 2.413 30 10 IEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1705694543 BVVCNCNAWUSGLG-OALUTQOASA-N 429.546 2.279 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1705699953 NKPTXUPVJIYWMK-LMMKCTJWSA-N 438.594 2.167 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC)CC1 1705769649 YVZLWWHCGMQVFJ-MRXNPFEDSA-N 432.546 2.402 30 10 IEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)CC1 1705781135 QGZZQDUIQSKBCF-ZDUSSCGKSA-N 435.579 2.048 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705896654 SXXYTDUCMAOUIH-QHCPKHFHSA-N 441.532 2.030 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCn2ccnc2C1 1706076781 CBGACPNCQOBJJX-CVEARBPZSA-N 438.561 2.325 30 10 IEEE C[C@H]1CSCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1708268974 AVJICHDNNGLTDS-DNTCVELPSA-N 430.578 2.479 30 10 IEEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1710295712 LYJCKJSMJGJLKQ-FPOVZHCZSA-N 429.613 2.186 30 10 IEEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)c1nc(C)cs1 1712648506 VWGXMVVOUPBOOF-LLLHUVSDSA-N 432.550 2.300 30 10 IEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1)C1CC1 1712698168 BLNWAAFCHVXNRP-IBGZPJMESA-N 427.530 2.175 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1ccncc1 1722448311 PVJTZSOYDAGTOA-UHFFFAOYSA-N 429.484 2.318 30 10 IEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1722615384 OTLACLOEXVKSQH-NRFANRHFSA-N 437.592 2.454 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C1CC1 1722632479 VTYMNNQHFRUUSX-INIZCTEOSA-N 432.594 2.300 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722689519 UVWRXUVDHWGCHL-QYZOEREBSA-N 438.532 2.057 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCn2ccnc2C)C1 1722709714 WNBXDNVMYJDGQL-LJQANCHMSA-N 427.553 2.281 30 10 IEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1722722471 OIXXMGSWRNBMSU-SFTDATJTSA-N 439.516 2.316 30 10 IEEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)ccc1C 1729985533 DVYXHGNUNOMZOR-GOSISDBHSA-N 429.546 2.286 30 10 IEEE CS[C@H](C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1731049492 YXBAVTUWIITNHF-HGHGUNKESA-N 434.610 2.247 30 10 IEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740587323 GHCVDRUQKPEIMN-GOSISDBHSA-N 431.562 2.092 30 10 IEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(C)c2)CC1 1740720407 XNAKNVZIVWMWEH-UHFFFAOYSA-N 438.601 2.402 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740790588 UDPWCMMJERUVQC-ROUUACIJSA-N 441.532 2.270 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C 1740893640 QYRBWANMGSFQCP-UHFFFAOYSA-N 433.563 2.026 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1740958448 PFWGMACLMQUWPR-LJQANCHMSA-N 428.512 2.288 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H]1CC 1740985477 ICNFASAZWWHYSF-CVEARBPZSA-N 432.550 2.151 30 10 IEEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1744258317 WYHHHOBQLLVASB-PKTZIBPZSA-N 438.532 2.212 30 10 IEEE CN(CCN1CCOCC1)c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1 1747973857 JQCXFKCFQYTLCD-UHFFFAOYSA-N 436.516 2.181 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1748657872 KLRAECKDSQXHMM-RBUKOAKNSA-N 438.576 2.405 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(O)CCCCC2)c1 1748692000 AQKOFOSKRMSPRH-UHFFFAOYSA-N 445.527 2.487 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(=O)NC(C)C)c1 1748692001 ASBGSZMPWQLHQE-UHFFFAOYSA-N 445.527 2.229 30 10 IEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1748751243 UUWNRNIQNGPVAT-FQEVSTJZSA-N 430.597 2.314 30 10 IEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1748801663 DIWZIARJELPNNY-QZTJIDSGSA-N 430.578 2.111 30 10 IEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1749561832 YHGNOFUDEKKVNH-NRFANRHFSA-N 429.546 2.005 30 10 IEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749666205 JIZXMCGNOQEXJJ-KBPBESRZSA-N 431.566 2.056 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(CC)s2)C1 1749717902 QKHBYIKDDFUWAV-MRXNPFEDSA-N 428.566 2.383 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCCC)CC1 1749726853 HAXASPGEMHKXLG-UHFFFAOYSA-N 445.589 2.289 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(Cl)nc1 1750028825 QKFUUMZHUAEFDR-QAPCUYQASA-N 445.955 2.275 30 10 IEEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H](C)CC#N)n[nH]1 1751787914 GHPNIZOTGMSWQI-LLVKDONJSA-N 432.330 2.454 30 10 IEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1760154959 MOUDFRGPBFNIQN-NHCUHLMSSA-N 441.601 2.304 30 10 IEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1cc(C)oc1C 1760194056 XRHBKGNOZOKBDH-QHCPKHFHSA-N 432.484 2.116 30 10 IEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1ccc(NC(C)=O)nc1 1760206888 PXOPDGYQIMLMIJ-UHFFFAOYSA-N 428.496 2.374 30 10 IEEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1760230412 DEVNQFFIYKKODS-UHFFFAOYSA-N 448.936 2.166 30 10 IEEE C#CCSCCn1c(CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760282986 YEVRCYYAMRLLQB-UHFFFAOYSA-N 433.603 2.108 30 10 IEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cc(F)ccc1F 1761492536 DIXMDEVBQWENNR-DJJJIMSYSA-N 438.504 2.345 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1CC(=O)NCC(F)(F)F 1769819088 HKPLYANWGOYWFF-UHFFFAOYSA-N 436.438 2.359 30 10 IEEE COCCOCc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1770127167 BJWLEDDEKZEWCD-QFIPXVFZSA-N 437.479 2.388 30 10 IEEE N#Cc1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC(=O)N2CCOCC2)c1 1770731178 IQXJOVOBWULQNR-UHFFFAOYSA-N 446.433 2.374 30 10 IEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)cs1 1770868220 FZFOMLNBIIBZAJ-SFHVURJKSA-N 440.529 2.320 30 10 IEEE N#Cc1cccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCOC(F)(F)F)c1 1771530159 CEHLOWWQMKNKGC-CVEARBPZSA-N 434.422 2.458 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)C[C@@H]3CCc4ccccc43)C(=O)O2)CC1 1856611134 AMVXXTCXUYUYAU-PKOBYXMFSA-N 431.514 2.019 30 10 IEEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1861599896 NEZRSTVNRVKSOS-BDTNDASRSA-N 443.588 2.474 30 10 IEEE CSCC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1867235146 OHCQRFSLFNTDJY-GOSISDBHSA-N 446.554 2.004 30 10 IEEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCN(CCO)CC2)cc1=O 1870386608 WSBZNODEDKGCJQ-UHFFFAOYSA-N 436.556 2.247 30 10 IEEE CCOc1ccc(-c2nc(C3=C(N)N(CCN4CCOCC4)CC3=O)sc2C)cc1 1873528290 PIOWLCXFQYCNLX-UHFFFAOYSA-N 428.558 2.361 30 10 IEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1C(=O)O 1874500867 DPJRMAKLOXQXHW-ZVBGSRNCSA-N 429.458 2.006 30 10 IEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccccc3OC)CC2)CC1 1890218723 HBJSVUNRTGKOFZ-UHFFFAOYSA-N 427.589 2.276 30 10 IEEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1890927162 MFILHKJYHOIKMH-HOTGVXAUSA-N 444.022 2.358 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124538117 GJWUPBLOLLLLQI-QZTJIDSGSA-N 446.353 2.284 30 10 IEEE N#Cc1ccc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2195348885 YBRKXTHMPIPCPF-SFHVURJKSA-N 434.445 2.382 30 10 IEEE C=C(CS(=O)(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247906437 ZNCKHYJUNFREBE-ARFHVFGLSA-N 442.387 2.349 30 10 IEEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2255616511 OXLIEFPENZDXLJ-ZIAGYGMSSA-N 434.346 2.179 30 10 IEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC2(CCN2C(=O)OC(C)(C)C)C1 2255861507 NGZNWYOYADYINF-UHFFFAOYSA-N 431.342 2.160 30 10 IEEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256013559 GLZQLJLWAOIQBO-UHFFFAOYSA-N 432.326 2.288 30 10 IEEE CC1(C)OB(C#CC(=O)N2Cc3ccccc3C[C@H]2CNC(=O)C(F)(F)F)OC1(C)C 2267096880 WBEONNOINYNXSN-INIZCTEOSA-N 436.239 2.253 30 10 IEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267120240 HILUSMVPOJYKOT-CQSZACIVSA-N 448.373 2.095 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267511147 XQIBHROOFZOBCE-HUUCEWRRSA-N 448.373 2.095 30 10 IEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267520275 KPBNMFNAPGMSNP-GASCZTMLSA-N 448.373 2.189 30 10 IEEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267592656 GAQSCLQIPAFQPJ-YLJYHZDGSA-N 436.365 2.416 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1CO 2267822803 ZYSHOQOFWKGAAA-DNVCBOLYSA-N 447.385 2.280 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CO1 2268648163 WRIOYVCAKDZESJ-GJZGRUSLSA-N 447.341 2.249 30 10 IEEE CCOc1cc(C=NNS(=O)(=O)c2cc(OC)ccc2OC)cc([N+](=O)[O-])c1OC 2318414686 FQHLXVASLOVOGJ-UHFFFAOYSA-N 439.446 2.332 30 10 IEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)C=CC(=O)O)sc2c1CCCC2 2326237946 QDOUKSLBXRRCGH-UHFFFAOYSA-N 426.454 2.490 30 10 IEEE C/C(=N\Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccccc1 21322335 RSGCYMGDAKJDDZ-CIAFOILYSA-N 426.462 2.467 30 10 IEEE C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 36314006 VESASOCBQNUBOK-NRFANRHFSA-N 425.529 2.401 30 10 IEEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OCC(=O)N[C@@H](C)CO)ccc2C1=O 97528807 ISDMRJLFXUEZDQ-OOMAIKSQSA-N 443.452 2.204 30 10 IEEE CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 97974709 POPFMWWJOGLOIF-RUSRKCQRSA-N 436.520 2.499 30 10 IEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CC(=O)O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102573260 AFTCQWMDAGOMEO-VZCCSQPZSA-N 426.381 2.500 30 10 IEEE N#CCCC[C@H](NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccccc1 431821182 KCXOOWXTKGZYHB-NRFANRHFSA-N 433.512 2.493 30 10 IEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 460391554 VGPLJOCDSQLFGL-GOSISDBHSA-N 435.550 2.015 30 10 IEEE CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)Cc2ccccc21 479450007 DSZMAVRJKYZDAK-UHFFFAOYSA-N 425.919 2.182 30 10 IEEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@H]2CCCO2)c1 497572651 DRRSBCAHHHUWKT-HXUWFJFHSA-N 445.544 2.487 30 10 IEEE Cc1cc([C@@H]2CN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CCO2)ccc1F 497573402 SXSWIXCEWXJEIH-IBGZPJMESA-N 431.489 2.458 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)Nc3cc[nH]n3)c3ccccc3)cc2C1=O 498555386 PLSFFFWAWAXQJL-LJQANCHMSA-N 429.436 2.302 30 10 IEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 508964292 UGYALUQHPAAXBA-QGZVFWFLSA-N 440.504 2.259 30 10 IEEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccccc2OCC2CC2)c1=O 513039399 AHGWXQFWSSGEID-UHFFFAOYSA-N 437.565 2.304 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 517661175 NSEDULDVEMYSAW-INIZCTEOSA-N 448.520 2.098 30 10 IEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3nccs3)cc21 526846016 VNFKWKZEKFJACR-ZNNHIBJESA-N 433.511 2.013 30 10 IEEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 537417903 VPJLHNAVTAENRK-UHFFFAOYSA-N 438.553 2.108 30 10 IEEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1cc(OC)cc(OC)c1 541368697 YAQCJCFLZFHJMB-UHFFFAOYSA-N 427.457 2.198 30 10 IEEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n(C)c1 543873650 ZNZRHBVQRKPMTB-UHFFFAOYSA-N 432.893 2.238 30 10 IEEE COC(=O)c1cn([C@@H]2CCCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)nn1 546586736 FSIVEYOEIXXXSD-QWHCGFSZSA-N 428.518 2.151 30 10 IEEE COc1ccc(CN2CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)c(OC)c1 558025576 UISMENJCCNMPCN-GAJHUEQPSA-N 445.516 2.183 30 10 IEEE COc1cc(CNC(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)ccc1C#N 558614973 YGMLHXUFHSERHH-HNNXBMFYSA-N 428.493 2.075 30 10 IEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 580204324 CADJXHIDKOGMOP-MOPGFXCFSA-N 435.528 2.382 30 10 IEEE N#Cc1cccc(CN(CCCN2CCOCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586178076 DTWPPQFGZUZAOQ-UHFFFAOYSA-N 444.513 2.380 30 10 IEEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C 605694125 ZSDUSKSIXJMQRS-AHXZKHQPSA-N 432.488 2.483 30 10 IEEE in-vitro O=C(COC(=O)[C@H]1CNC(=O)N1)N=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1 732364174 YCERSYPPSNQRJK-MRXNPFEDSA-N 446.385 2.223 30 10 IEEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(C)C)c2=O)cn1 735069124 MDGQQUWUHZUOAE-UHFFFAOYSA-N 435.553 2.314 30 10 IEEE CC[S@@](=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 743119756 WQAVRISXLBRLGN-PCLGYLGWSA-N 428.580 2.170 30 10 IEEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744570954 JYHYHFIKIUKRPO-LBPRGKRZSA-N 430.417 2.158 30 10 IEEE COc1cc(OC)c(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(OC)c1 758382371 JCMYDOWXXZAUPY-BBRMVZONSA-N 434.493 2.271 30 10 IEEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C 759356394 YDUSFGBQMZHFNF-LJQANCHMSA-N 432.502 2.034 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 762618343 SFEOIKCBKJQYOY-YJBOKZPZSA-N 435.546 2.235 30 10 IEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 763937614 MMUXGUIYQSKFMB-GPTVKUKTSA-N 447.561 2.022 30 10 IEEE C[C@@]1(CCc2ccccc2)NC(=O)N(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O 767537470 XHLJOBJAECHAOJ-IBGZPJMESA-N 432.889 2.348 30 10 IEEE CC1(C)CC[C@@H](CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)O1 777466629 BRAJOUHMCQOUQG-DLBZAZTESA-N 444.557 2.343 30 10 IEEE CN1C(=O)N(CC(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(=O)C12CCCCC2 778750193 VKIRZBKZCBZDQJ-SFHVURJKSA-N 438.484 2.194 30 10 IEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3ccc(N4CCCC4=O)cc3)CC2)c1C#N 788098653 WFOXUIMUEANOAC-INIZCTEOSA-N 435.532 2.320 30 10 IEEE Cn1cc([C@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 788657370 IHILSMCPWNZXKF-RHSMWYFYSA-N 439.335 2.331 30 10 IEEE COc1cc(CN[C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)ccc1C#N 810250100 HRIOSPUHLZYWLE-AWEZNQCLSA-N 437.543 2.143 30 10 IEEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1-c1ccc(F)cc1 839203370 CITXAEGIUSLGHF-UHFFFAOYSA-N 439.855 2.489 30 10 IEEE COc1ccc(CNC(=S)NN=Cc2cc(C)n(CCN3CCOCC3)c2C)cc1 915944374 GHVHRHIYVRPXCR-UHFFFAOYSA-N 429.590 2.444 30 10 IEEE CCOc1ccc(C#N)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1083102579 HWJJKZAPAMYFDY-UHFFFAOYSA-N 429.498 2.192 30 10 IEEE N#CCCN(C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)c1ccc2c(c1)OCCO2 1136612519 KGSQYABKJVHUQT-CQSZACIVSA-N 447.538 2.306 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)Cc1cc(OC)cc(OC)c1 1137499244 WCLNMJOFXACDLJ-PXNSSMCTSA-N 434.533 2.278 30 10 IEEE C#CCn1ccc(CN(CC)C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)n1 1139833827 PSLHDWUBFUNIDD-UHFFFAOYSA-N 429.525 2.075 30 10 IEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1142655576 KJBIODQUKHSSNT-KXBFYZLASA-N 440.357 2.413 30 10 IEEE COC(=O)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccc(C)c1 1152751946 FSZRZEWRUGYJBZ-GOSISDBHSA-N 429.498 2.140 30 10 IEEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)cn1 1192328082 YZZCKHFNTYMBOX-UHFFFAOYSA-N 440.319 2.242 30 10 IEEE C#CCN(C(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C)CC1 1248639410 WNEHEBXKDSFIQQ-UHFFFAOYSA-N 436.597 2.389 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1286279316 UQTHSPCGUPVNAO-KGLIPLIRSA-N 432.525 2.209 30 10 IEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CCCC1 1286380563 GVOROGFDCIQKPF-UHFFFAOYSA-N 432.546 2.293 30 10 IEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286394210 NXKKSRDTTULEON-AZUAARDMSA-N 446.548 2.181 30 10 IEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286397162 RPYCMCYUDJFCMB-LJQANCHMSA-N 446.573 2.137 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(N)=O)c1 1286404990 XBGBXEWPGWTRCD-UHFFFAOYSA-N 437.301 2.256 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1286459402 OUYQFWAWQJBVKO-HXUWFJFHSA-N 434.544 2.438 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2nccc(C(F)F)n2)CC1 1286486613 PFEFFITVSRMHAE-UHFFFAOYSA-N 431.491 2.317 30 10 IEEE C#CCSCCn1c(N2CCN3CCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286512787 NYVUKDBMIJHIEE-UGKGYDQZSA-N 433.622 2.360 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1286518117 ZAQVXUYVTKUUDJ-AUUYWEPGSA-N 436.607 2.196 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](OC)C(F)(F)F)C1 1286798551 LFFSPHKNPFAMAG-HUUCEWRRSA-N 431.459 2.263 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286822716 NYASGLPDQUNYNB-UHFFFAOYSA-N 449.621 2.060 30 10 IEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)N(C)C 1288672921 GWNQSIXMLJLXSR-QUCCMNQESA-N 448.575 2.481 30 10 IEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1289453430 ARSXEJKCZNQPGG-HTAPYJJXSA-N 444.486 2.492 30 10 IEEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1Br 1289604267 HQYSYDGYZQBLRV-HUUCEWRRSA-N 445.321 2.023 30 10 IEEE CS(C)(=O)=Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290636435 LXFVYGHVVIVNHU-UHFFFAOYSA-N 446.554 2.064 30 10 IEEE C[C@@H]1COCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1291297335 XXLVSSDKEWBXEJ-IJEWVQPXSA-N 449.353 2.447 30 10 IEEE Cc1ccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1296893305 YQMAPHNWKTVRAX-IBGZPJMESA-N 428.382 2.479 30 10 IEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1296971140 AFNXEGJBQZKYJL-SFHVURJKSA-N 429.546 2.399 30 10 IEEE N#Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ccn1 1297365047 FDBAQVWJNLPRDA-UHFFFAOYSA-N 436.896 2.463 30 10 IEEE COc1ccc(-c2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 1299994389 BKUCSRXOPCQJHF-XUTLUUPISA-N 438.488 2.087 30 10 IEEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300468520 BYTJMNIQARSMOP-ICSRJNTNSA-N 445.564 2.282 30 10 IEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300500832 DXCUCLHMOYCTBT-AVRDEDQJSA-N 446.573 2.138 30 10 IEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1300743646 WTFSCANMDWJNPG-INIZCTEOSA-N 446.602 2.300 30 10 IEEE C=CCCCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301223367 TTXSYLUEFUXYBO-UHFFFAOYSA-N 430.597 2.383 30 10 IEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCN(C)C1 1301340102 CFESUXBUINGQCH-DEOSSOPVSA-N 431.544 2.414 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](CC)O[C@H](C)C1 1301493146 VDIATCHUSMACMX-CVEARBPZSA-N 429.521 2.268 30 10 IEEE COCCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1302162337 JMJRGPZVSCQINH-XMSQKQJNSA-N 445.520 2.073 30 10 IEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCCCC2 1303436314 BCCHEHYRWBGGJY-UHFFFAOYSA-N 447.547 2.144 30 10 IEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1303915557 RQBNWHGOSCMRBR-QAPCUYQASA-N 435.912 2.199 30 10 IEEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1304502175 DWQADNONGYQRQB-QZTJIDSGSA-N 446.577 2.043 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)cc1 1310130811 FQSORHOHZGSVLA-FQEVSTJZSA-N 436.534 2.236 30 10 IEEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1313033119 BPDRXKSNDBJSKO-RTBURBONSA-N 444.532 2.402 30 10 IEEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)cc(OC)c1OC 1315312675 FELMYDWCPGKSFV-CQSZACIVSA-N 430.509 2.086 30 10 IEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1316086191 LEEYEBLRLGYUCE-FQEVSTJZSA-N 445.483 2.267 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1358926767 BUDBCFVABUQFAS-QGZVFWFLSA-N 447.543 2.145 30 10 IEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)NCCC)CC1 1359030422 VYMXJIPHOIAYKS-SFHVURJKSA-N 442.539 2.229 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1 1359094261 YXGJNGIIZWZNRZ-AEFFLSMTSA-N 431.518 2.403 30 10 IEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359200575 KLQNJRGEEUPRCF-SFHVURJKSA-N 425.537 2.407 30 10 IEEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1359286845 WGBJGMKHQPRFFO-OAHLLOKOSA-N 429.912 2.319 30 10 IEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1436252067 KLFVALXCIRDHDO-XQQFMLRXSA-N 449.392 2.371 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)cc1 1451869305 GHOWBDNYTKWOHR-CALCHBBNSA-N 436.436 2.094 30 10 IEEE CC#CC[C@@H](CO)NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1452859242 LQWSIPLZYWXPCB-PMACEKPBSA-N 438.528 2.440 30 10 IEEE C[C@](CO)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 1454713691 XSDQYPMSMQRYRF-LHSJRXKWSA-N 442.859 2.497 30 10 IEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(Cc2ccc(Br)cc2)C1 1456635876 WSPOMVWTLYDXNV-UHFFFAOYSA-N 448.342 2.189 30 10 IEEE C#C[C@@H](NC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)C1CCOCC1 1468323250 QKUIMKVQAWHXDZ-OAQYLSRUSA-N 433.574 2.177 30 10 IEEE C#C[C@H](NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1 1478012824 BCNQIDIKIUUEHO-JKSUJKDBSA-N 430.306 2.352 30 10 IEEE COCC1(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1504623686 GKGKORXZMHYQEA-OXJNMPFZSA-N 439.557 2.219 30 10 IEEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1505022002 ZVDXFOONGRHCTO-KKIUXKEOSA-N 443.573 2.360 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H](C(C)C)N2CCOCC2)c1 1507550619 NHCOMUSAGHGGBL-OAQYLSRUSA-N 438.576 2.254 30 10 IEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)NC(C)(C)C 1507707601 AGGWIUWUMMGZMN-UHFFFAOYSA-N 427.505 2.065 30 10 IEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCOCC2CCOCC2)CC1 1507731670 OCHQEFTYONPGHJ-OAQYLSRUSA-N 431.581 2.108 30 10 IEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 1507853159 APHWWKAICIQHLJ-HXUWFJFHSA-N 435.532 2.232 30 10 IEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCN1CCc2sccc2C1 1508039988 MLAFQBFDBMAQHX-UHFFFAOYSA-N 425.562 2.494 30 10 IEEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1508061871 CVSWINUTVGAOID-DLBZAZTESA-N 430.553 2.326 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1508092063 XUGKIMIFZQXEFY-KRWDZBQOSA-N 429.521 2.128 30 10 IEEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1509953901 MDXRRQNTPYLDGJ-HZPDHXFCSA-N 436.557 2.486 30 10 IEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1514275106 JILPEBQPYAIWEN-BXKMTCNYSA-N 449.559 2.086 30 10 IEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539097490 OMJMZLUOLQGPLT-GOSISDBHSA-N 433.459 2.301 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN(CC)CC)cc1 1539180250 YFVCNYVEGCTDSH-HXUWFJFHSA-N 429.590 2.140 30 10 IEEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1539233270 FVCYANKXFKSFGM-NRFANRHFSA-N 433.468 2.286 30 10 IEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1539518278 XBSPCNAKTXKBKH-SFHVURJKSA-N 442.589 2.269 30 10 IEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539840483 UXCGUJVCWSWQIX-INIZCTEOSA-N 440.504 2.107 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540900687 DNMBPWMIZDCWNO-SFHVURJKSA-N 427.534 2.016 30 10 IEEE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1541002153 RTSFHHPAUPWXFC-UZLBHIALSA-N 439.564 2.077 30 10 IEEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCCCC2)cs1 1542925698 DPCGXJPEASKXAI-QFBILLFUSA-N 429.594 2.485 30 10 IEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1547259104 AYXDSIZDYMINQF-INIZCTEOSA-N 426.521 2.259 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1555985046 HEEFYOHTPXKSMV-ACJLOTCBSA-N 438.916 2.260 30 10 IEEE CC[C@@H](C#N)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1556246203 TYTHGBZEMQVLAF-LBPRGKRZSA-N 427.299 2.167 30 10 IEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3cc(C(=O)OC)ccc3C2)s1 1558149233 YOVPNZDSPJZDMN-UHFFFAOYSA-N 434.539 2.126 30 10 IEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 1558403363 YBMBJFNXJLQTBC-AUUYWEPGSA-N 426.498 2.205 30 10 IEEE CC(C)(C)OC(=O)N(CCO)C1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 1560056195 AWUAWIRCSSYHSL-QGZVFWFLSA-N 434.562 2.419 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@H](COc1ccccc1F)C(C)(C)C)c1cc[nH]n1 1565695941 HPUKTXZTWVHAAB-QGZVFWFLSA-N 434.468 2.443 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOC[C@@H]3[C@@H]3CCCC3=O)C2)C1 1567478816 PKASCUBZPNZBKB-JCEOMHIDSA-N 431.533 2.370 30 10 IEEE Cc1cc2[nH]nc(NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)c2c(=O)n1C 1570573796 MSFKRLHHPSFYAA-BJCXIENYSA-N 440.504 2.295 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1586564821 IHYKCPOMTYWMIT-KRWDZBQOSA-N 439.903 2.069 30 10 IEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOCC1 1587556466 PGQFKYYEZZDBMN-KRWDZBQOSA-N 444.967 2.042 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2Cc2ncn(C)n2)c1 1587697610 UYTNIFVADCYHHB-UHFFFAOYSA-N 432.532 2.244 30 10 IEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1587711846 HWSBYHCMNZXXRM-SFHVURJKSA-N 438.532 2.322 30 10 IEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1587804310 YGSZTJRACWWFIR-UHFFFAOYSA-N 434.479 2.200 30 10 IEEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1588050723 UVZHBRYPQQLDAL-QGZVFWFLSA-N 431.587 2.338 30 10 IEEE C#CCN(c1nnc(CC)n1CC1(c2ccccc2OC)CC1)[C@H]1CCS(=O)(=O)C1 1588059860 WLFCWHHRIIBLNB-KRWDZBQOSA-N 428.558 2.208 30 10 IEEE C#CCN(c1nnc(CC)n1CC1(c2ccccc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588059861 WLFCWHHRIIBLNB-QGZVFWFLSA-N 428.558 2.208 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588065065 STTBKXSWAGYMGJ-IBGZPJMESA-N 449.646 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1589216113 JWJNKBNTSHZOTB-XQBPLPMBSA-N 433.622 2.293 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1589216851 YTOSVUHPYUPVTR-OPAMFIHVSA-N 433.553 2.350 30 10 IEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1589556881 FESKBTNBICGEPN-YLJYHZDGSA-N 426.521 2.134 30 10 IEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1593800740 VSNATVDVSXSEGB-LMNJBCLMSA-N 425.533 2.382 30 10 IEEE C=CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1595906138 YUCPQLPBNHSIJL-UWJYYQICSA-N 437.610 2.200 30 10 IEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@@H](N4CCOCC4)C3(C)C)ccc2c1=O 1611537424 GOBUETKAEBISHC-QZTJIDSGSA-N 428.558 2.100 30 10 IEEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccccc1OCCN(C)C 1612576110 SRKIZVWFSOIAOE-UHFFFAOYSA-N 433.516 2.110 30 10 IEEE COC[C@H](F)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619626382 RXCNKBUVACDURQ-MJGOQNOKSA-N 428.512 2.061 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1620024407 IDTDTRBMFGIUHF-QFBILLFUSA-N 429.521 2.007 30 10 IEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H]2C[C@H]21 1620638314 ACOACIAJYSJQJH-KZNAEPCWSA-N 445.589 2.151 30 10 IEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](NC3CCOCC3)C2)cc1 1622886913 YIEPPTKENCKTSD-IBGZPJMESA-N 436.578 2.258 30 10 IEEE N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)c1N 1623698801 ZTMICTRRGLQKRE-UHFFFAOYSA-N 449.490 2.462 30 10 IEEE CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(O)C2=O)c(Cl)cc1Cl 1624906334 GHAXJSMTZAKOQP-NOZJJQNGSA-N 438.333 2.180 30 10 IEEE C=CC1(CC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1627895519 LLHUNGCJOVMDFQ-HNNXBMFYSA-N 427.542 2.144 30 10 IEEE COc1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc(NS(C)(=O)=O)c1OC 1629976429 JXWRWRKJHHQHEZ-UHFFFAOYSA-N 444.513 2.362 30 10 IEEE C#CC1(F)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1633365594 JVHCGDTYPLIUTP-LLVKDONJSA-N 435.340 2.095 30 10 IEEE CCOC(=O)CON=C(C(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1)c1cc[nH]n1 1633377550 WTYIAFJQJPZYPT-HNNXBMFYSA-N 442.394 2.216 30 10 IEEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C=NOC)cc2)cc1 1635060869 LGDLQIZHOFSZSA-OAHLLOKOSA-N 427.457 2.227 30 10 IEEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(CN2CCOCC2)C1 1637544115 TYINMWRXUNYDAP-NRFANRHFSA-N 440.544 2.183 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1 1639575599 FPZYSORBLAZTAQ-UHFFFAOYSA-N 443.525 2.329 30 10 IEEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc1 1639591168 OWGCWWQGHYYLAV-KRWDZBQOSA-N 446.301 2.376 30 10 IEEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 1643217266 LYKGLNJXROJTHT-UTKZUKDTSA-N 427.501 2.469 30 10 IEEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1647787242 BWHDNPPOIOBYJZ-APWZRJJASA-N 444.532 2.457 30 10 IEEE CCn1c(CN(C)[C@H]2CCC[C@H]2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1647993259 JXMZCRSGKZKLAA-LPHOPBHVSA-N 431.562 2.201 30 10 IEEE C#CCC1(O)CCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 1663849346 LKHFPWLOLBYBNU-UXHICEINSA-N 434.558 2.262 30 10 IEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1667791015 QEZKHGLKRCZYQG-UHFFFAOYSA-N 447.557 2.312 30 10 IEEE CCOC(=O)c1cc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c(F)cc1Cl 1669195985 FHRNZSDLUNNROQ-UHFFFAOYSA-N 432.857 2.123 30 10 IEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C1CCOCC1 1674591309 SUOMWSQPDPXUKT-OAQYLSRUSA-N 433.574 2.254 30 10 IEEE C#CCN(C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1675060711 MVDXGNIDTUXLTG-YOEHRIQHSA-N 432.373 2.428 30 10 IEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1689824503 QXNMPUSFYWDPQI-FOIQADDNSA-N 435.450 2.422 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C(C)C 1689831893 SXWBGQWMWFDPJK-YCRPNKLZSA-N 432.594 2.412 30 10 IEEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 1689881651 XXTASDLTYSKOAS-UHFFFAOYSA-N 432.322 2.456 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(N(C)C)c1 1689959554 DJXGHNKSSCFPLV-UHFFFAOYSA-N 437.573 2.422 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1689964315 KVBMJORERTZTNI-GOSISDBHSA-N 447.580 2.394 30 10 IEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1OCCC1(C)C 1690101113 OOFUUUJFWDIDNG-GOSISDBHSA-N 436.516 2.495 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCn1cc(Br)cn1 1690101327 XCLRPWGPNCYLQS-UHFFFAOYSA-N 444.337 2.394 30 10 IEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)OCC)CC1 1690119695 OQEDFFVNHSLWPU-UHFFFAOYSA-N 425.533 2.287 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1690206339 OBWNLGJAJAJWGE-PGRDOPGGSA-N 449.621 2.429 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](CN(CC)CC)C1 1690666680 CPJHCVIMJYTTDK-QGZVFWFLSA-N 440.548 2.144 30 10 IEEE Cc1ccccc1OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1693283155 PJCNKNWEWUKVGH-UTKZUKDTSA-N 447.536 2.400 30 10 IEEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1696498932 ZTHCBDSPOIGMOP-UHFFFAOYSA-N 434.541 2.077 30 10 IEEE CO[C@@]1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697212477 HFCJDZMAFUKALI-ALCHYDARSA-N 444.536 2.051 30 10 IEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1705517170 QAADCLXHNKDZRX-QZTJIDSGSA-N 437.610 2.287 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705569561 HWDVJGQUEJVUBB-IBGZPJMESA-N 428.558 2.223 30 10 IEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NC1CCCCC1 1705575291 FQLZMSVEXLVUNV-UHFFFAOYSA-N 435.528 2.484 30 10 IEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccco2)N(C)C)CC1 1705649088 JYBDMHPLNBWSQW-LJQANCHMSA-N 435.532 2.135 30 10 IEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705826307 ATXNFDGLYPXHJH-GOSISDBHSA-N 441.492 2.002 30 10 IEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1705897842 VJMZFUMVFUOXDB-ZHRRBRCNSA-N 429.496 2.476 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1705900287 XVRYNYLAROYNER-LJQANCHMSA-N 440.470 2.116 30 10 IEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705908291 MTJFEHMKSUOADL-AZUAARDMSA-N 438.576 2.395 30 10 IEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1705913629 TUEFJGCUKACJAI-MJGOQNOKSA-N 446.573 2.266 30 10 IEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705945572 NOYNOPPNLSFLOI-WOJBJXKFSA-N 434.654 2.306 30 10 IEEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705948448 UQGGQFYVIKXZHL-SFHVURJKSA-N 449.646 2.453 30 10 IEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCn2ccnc2C1 1706076783 CBGACPNCQOBJJX-HZPDHXFCSA-N 438.561 2.325 30 10 IEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1707952862 PTAQENAVRJMREM-LLVKDONJSA-N 444.293 2.216 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1712543652 PZTGYDJFBWOWRK-JROKQLJMSA-N 446.552 2.155 30 10 IEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CCCN2CCOCC2)CC1 1722331944 YEFRSDVOAXFUKX-UHFFFAOYSA-N 425.581 2.421 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 1722364716 MKCJLGQTCHIKHH-ZBFHGGJFSA-N 444.586 2.471 30 10 IEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722370911 FSEGHAONDZZBKR-YVWKXTFCSA-N 428.558 2.280 30 10 IEEE C=C(Cl)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558792 YXMIHPYUPGGWJD-CRAIPNDOSA-N 432.974 2.085 30 10 IEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1722608475 DZVLUYQLNIFZCN-KRWDZBQOSA-N 426.631 2.413 30 10 IEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722623949 OPZLNGNDLHSUNM-JXFKEZNVSA-N 441.532 2.270 30 10 IEEE C=CCSCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1722738845 ANUUXYGUPNRZCW-LAUBAEHRSA-N 435.594 2.051 30 10 IEEE COCCOCCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1730928234 KJUVXNQPLDFYPP-UHFFFAOYSA-N 428.512 2.231 30 10 IEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCOC1 1740565751 GLRPZZGWTWWBRD-SFHVURJKSA-N 445.589 2.472 30 10 IEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740595097 LVLJFWGVBGCLLU-OAQYLSRUSA-N 436.564 2.272 30 10 IEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(O)(CC)CC 1740657852 ZVLYBKIGNLQFAN-UHFFFAOYSA-N 435.576 2.466 30 10 IEEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N1CCN(CC)CC1 1740665576 IKPOOLCSUHFYPP-IBGZPJMESA-N 440.592 2.448 30 10 IEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740805447 QQXTVPNMPLDZSE-NRFANRHFSA-N 447.923 2.440 30 10 IEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1740897788 UJEGPYRYVQNEJT-UHFFFAOYSA-N 435.463 2.427 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1740932313 LMWUBRSMBXCMDR-INIZCTEOSA-N 441.623 2.075 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740955815 AHDXGFDFQWSRQL-INIZCTEOSA-N 426.912 2.371 30 10 IEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)NC)CC2)cc1 1740967966 WAGPFVNPWVRILY-UHFFFAOYSA-N 447.543 2.338 30 10 IEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740990753 FFBWQIWYKXLVQY-UHFFFAOYSA-N 428.518 2.042 30 10 IEEE CC(=O)N1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1741056773 ACRKJAYPSMNKLN-KRWDZBQOSA-N 443.983 2.282 30 10 IEEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccco1)N(C)C 1741132505 ZHNGVTURYVPLRU-GOEBONIOSA-N 425.493 2.498 30 10 IEEE Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCCN2CCC[C@@H]2CO)cn1 1748008953 VZSXIKARKMISKW-LJQANCHMSA-N 426.569 2.046 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1748642893 RAOKOQQKEUDWOE-UZUQRXQVSA-N 425.533 2.118 30 10 IEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1748745178 MJFUDYJCGIKNIT-UHFFFAOYSA-N 447.543 2.193 30 10 IEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1748765394 FWAQNOVRSHLEDE-XVAXZDLZSA-N 442.608 2.360 30 10 IEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1748801753 FWXVJSPNIRXLAD-IBGZPJMESA-N 446.573 2.368 30 10 IEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[C@H](O)C2)n1 1748971080 CBVMZEPZKQUIDM-HLAWJBBLSA-N 442.564 2.163 30 10 IEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749020059 KEHCUVQJUJVRBE-IAGOWNOFSA-N 426.546 2.297 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1749053979 NNIMFQSTGNGQTI-OPAMFIHVSA-N 443.573 2.001 30 10 IEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1749324454 WBFGHDYEUQCZLT-UHFFFAOYSA-N 431.562 2.271 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1749489341 UPOMLXOTLGGIBP-MRXNPFEDSA-N 444.536 2.370 30 10 IEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1749573245 BFOZUOWUDLSJII-JKSUJKDBSA-N 442.486 2.061 30 10 IEEE C=CCn1c(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749643537 UIKIJUJKWQVQHY-YHUYYLMFSA-N 441.598 2.493 30 10 IEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1749650251 PAKAFBWQQHBBFR-UHFFFAOYSA-N 439.564 2.108 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C)CC1 1749740972 LWSSZTGTIBIFIY-SQNIBIBYSA-N 426.583 2.229 30 10 IEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)n1 1751837690 CRMIYLIIBHLKJQ-WVBUVRCRSA-N 427.553 2.464 30 10 IEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1760117616 REIZQHMCQQKJDH-NVXWUHKLSA-N 431.562 2.259 30 10 IEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760144272 JYBMMLXCVAXUJM-NRFANRHFSA-N 443.640 2.215 30 10 IEEE C#CCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159483 HYZIFYKCWMPAIP-HSZRJFAPSA-N 444.580 2.070 30 10 IEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nc(C)c(C)s1 1760201564 FKXZTTCODGUWFN-UHFFFAOYSA-N 443.536 2.386 30 10 IEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760278864 JTNXYTHAKWJUSL-UHFFFAOYSA-N 427.578 2.185 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760296042 YEZOZKBLRMQJIR-IEGUWTFLSA-N 425.508 2.257 30 10 IEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760311301 WHGGNMHYZGOUMN-YPMHNXCESA-N 440.367 2.385 30 10 IEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CN(C)C1=O 1760500861 BNUOQUUPDHNMQY-QHCPKHFHSA-N 437.548 2.446 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1760777923 DFJZYAGOXMYSLY-SJORKVTESA-N 443.552 2.369 30 10 IEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(F)CCC2)CC1 1766881426 XTPWXRIGIHRESA-UHFFFAOYSA-N 439.539 2.309 30 10 IEEE CN(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1766891854 CMUPYUCAIBPJAI-LEWJYISDSA-N 435.507 2.435 30 10 IEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCc1cnn(C)n1 1767964354 AZARQPJVRNAFJT-FQEVSTJZSA-N 436.520 2.025 30 10 IEEE CN(C)CCOc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768511809 CHMCSSYALXIDQB-FQEVSTJZSA-N 435.532 2.185 30 10 IEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1768980407 DDPPAQHCINCXPQ-ZYSBOAIWSA-N 447.561 2.142 30 10 IEEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1769272161 JYYWGZDPCUIGFT-HNNXBMFYSA-N 434.426 2.294 30 10 IEEE COc1ccccc1Cc1nnc(N2CCC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1770457206 XAQCKGGMZATCTL-VNRULFPQSA-N 436.516 2.393 30 10 IEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CCN1S(C)(=O)=O 1770661199 HSJDBHMJPGXYQR-MAUKXSAKSA-N 446.602 2.182 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCS2(=O)=O)C1 1771529481 OMWOBCBBQPDILT-KDOFPFPSSA-N 438.916 2.403 30 10 IEEE Cc1nccn1Cc1ccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1851703894 YQVWRVBKORDIGP-UHFFFAOYSA-N 430.512 2.486 30 10 IEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1852481189 UTEWXXHFRMYWSS-MRXNPFEDSA-N 433.424 2.102 30 10 IEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1ccc(F)cc1 1852828929 JQYMPRRQFLQWCM-MOPGFXCFSA-N 446.548 2.475 30 10 IEEE Cn1ccnc(N2CCC[C@H](N(Cc3ccc(F)nc3)C(=O)c3ccc(C#N)cc3)C2)c1=O 1853515776 JOFUMKQHUOMZMH-FQEVSTJZSA-N 446.486 2.497 30 10 IEEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1=O 1854331081 UACKLKGPRVOWAC-HOTGVXAUSA-N 425.407 2.045 30 10 IEEE Cc1cc(C)c2nc(C)cc(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)c2c1 1856118628 LOUJKZGIVNDPSU-UHFFFAOYSA-N 428.514 2.076 30 10 IEEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cccc4ccccc34)C2)CC1 1857025983 DYTJQVBGXBVJGR-GOSISDBHSA-N 425.510 2.394 30 10 IEEE N#CCNC(=O)c1c[nH]c2c(I)cc(Br)cc2c1=O 1866449745 IXSSUSHXBJUSQS-UHFFFAOYSA-N 432.015 2.149 30 10 IEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccccc3C)cc2C1=O 1870141644 CUHZUTWYMQZIKJ-UHFFFAOYSA-N 444.451 2.332 30 10 IEEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870561655 WXPNMUSJNVBZIR-UHFFFAOYSA-N 445.567 2.465 30 10 IEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1OC(C)C 1874432627 PLAHZLIUKPEGTG-FOKLQQMPSA-N 432.550 2.202 30 10 IEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 1901478800 SIEJLMDRPCDNEB-LBPRGKRZSA-N 425.360 2.428 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2010145725 LRHVUUWNZUHZPJ-INIZCTEOSA-N 439.553 2.171 30 10 IEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013642466 IHPIFVMUNZQVBL-HOTGVXAUSA-N 439.553 2.429 30 10 IEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Br)c1Cl 2054293552 LRNUQCIODCXHMP-SECBINFHSA-N 432.706 2.421 30 10 IEEE CN(CC(=NO)C(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230334 YBPOZGQXDUVFER-LJQANCHMSA-N 427.498 2.149 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12C[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532000 HVRSNTFGYOKDTM-HLFMIMNKSA-N 444.341 2.408 30 10 IEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@@H](O)C#Cc2ccccc2Br)C1 2227484864 SRMDYZICWXEIFT-JKSUJKDBSA-N 444.347 2.196 30 10 IEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243412133 HIORSUPWFYVPSB-UHFFFAOYSA-N 446.400 2.193 30 10 IEEE CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC1 2255626437 GGLGEBRBDMKIHV-NRFANRHFSA-N 434.346 2.132 30 10 IEEE CN(C[C@H]1CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255628638 KNNSBKKANOCKBV-CQSZACIVSA-N 434.346 2.180 30 10 IEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 2255837305 NJBIJMZBKXTIMZ-UHFFFAOYSA-N 436.362 2.235 30 10 IEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255870257 JJQSKOKCZSNJCH-UHFFFAOYSA-N 431.342 2.368 30 10 IEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255874502 WFYBWAUGBZOYNH-GDBMZVCRSA-N 433.358 2.452 30 10 IEEE Cc1c(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143116 CVGURAMWLNUNMF-QGZVFWFLSA-N 438.381 2.374 30 10 IEEE CC1(C)C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)N(C(=O)OC(C)(C)C)C1 2267148141 ZDMRXZKJMSKCOD-AWEZNQCLSA-N 448.373 2.474 30 10 IEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267729210 HIJIUSSYEZZYAE-IBGZPJMESA-N 441.333 2.341 30 10 IEEE CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CN(c3ccnc(C#N)c3)CCO2)n1 2296584554 FORZFLSTASQJAW-FQEVSTJZSA-N 429.484 2.153 30 10 IEEE C#C[C@@H](C)N1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2315338016 BRXYGBCCMRKWGJ-CJFMBICVSA-N 440.588 2.322 30 10 IEEE COc1nc(O[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317545090 NHHPDDNNLPBOPJ-CABCVRRESA-N 436.314 2.060 30 10 IEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)c1 2328622070 UBMWMMYKVOPHCH-UHFFFAOYSA-N 441.513 2.246 30 10 IEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C=Cc3cnc(OC)nc3)sc2c1 2330050639 INUWUUCUOWWGTC-UHFFFAOYSA-N 431.499 2.211 30 10 IEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337303531 ISSGYXFZJFFXAV-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC1(C)OB(c2ccc(CN3C(=O)C(C)(C)S3(=O)=O)cc2Br)OC1(C)C 2377407553 NOHXOFXGMLCTBT-UHFFFAOYSA-N 444.156 2.199 30 10 IEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(NC(C)=O)cc2)cc1 96350194 BQJCSDXSBPVNIV-UHFFFAOYSA-N 427.526 2.457 30 10 IEEE O=C1CCCCN1c1ccc(C#CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 96352598 ZOQBQEMCZMALSU-UHFFFAOYSA-N 426.494 2.305 30 10 IEEE O=c1[nH]c(N/N=C\c2cc([N+](=O)[O-])c(O)cc2O)nc2c1CN(Cc1ccccc1)CC2 169897446 IOGNGUOUKQFMGF-YVNNLAQVSA-N 436.428 2.094 30 10 IEEE CCN[C@](C)(C#N)CCn1cnc(I)c1I 304281860 FMQKERXCGXKLII-JTQLQIEISA-N 444.058 2.374 30 10 IEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCCC 447786561 MTLDFRDROXPRMT-UHFFFAOYSA-N 449.580 2.315 30 10 IEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 460558118 OWBFRVHQYGVPKL-KRWDZBQOSA-N 427.534 2.358 30 10 IEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460963773 ZJVYDCTWYJOFST-HNNXBMFYSA-N 430.940 2.495 30 10 IEEE Cc1c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)nnn1-c1ccc2c(c1)OCCO2 461297957 IHUVLWDKYQSABG-UHFFFAOYSA-N 428.412 2.052 30 10 IEEE C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 472915884 PZQPLFQOKKMBKG-BEFAXECRSA-N 443.467 2.221 30 10 IEEE CCCOc1nc(C)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478054694 CEBKAOOJEOOKSP-UHFFFAOYSA-N 428.514 2.197 30 10 IEEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccsc1 479374013 HHKLPIXUJWNXHL-UHFFFAOYSA-N 439.587 2.039 30 10 IEEE N#Cc1ccc(CS(=O)(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(F)c1 481020749 IANFQXJDWWCFJW-LJQANCHMSA-N 431.489 2.226 30 10 IEEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnn2)cc1 486507510 XFBCCINISOZKQS-KKSFZXQISA-N 429.484 2.300 30 10 IEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CCOC)[C@@H]1CCOC1 490307241 NUKOHWPKPJEFGN-CQSZACIVSA-N 427.295 2.362 30 10 IEEE CS(=O)(=O)Nc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 503705616 SCZBUMGNHOFTRB-KRWDZBQOSA-N 430.511 2.084 30 10 IEEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 506209453 KIIYEIXCYUFLTA-JOCHJYFZSA-N 449.573 2.465 30 10 IEEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 506863919 YNBYFVOBSCXKBD-OALUTQOASA-N 444.557 2.383 30 10 IEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)C2=O)cc1 508653191 KAVZLOMKVCDBEU-RTWAWAEBSA-N 431.496 2.326 30 10 IEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508944834 HHGJVZIXZHGGSH-UHFFFAOYSA-N 448.936 2.425 30 10 IEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@@]3(CCCOC3)C1)CCCC2 510608177 JXWTZFZQHSMDAM-KOSHJBKYSA-N 442.560 2.237 30 10 IEEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 512723360 RPRQUSWHQUJXJN-UHFFFAOYSA-N 428.558 2.019 30 10 IEEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1Cc1ccon1 531684180 OJMHIZDVCLTOQD-UHFFFAOYSA-N 442.500 2.367 30 10 IEEE Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1C 539098866 ZZSJJIKMFYFVDL-UHFFFAOYSA-N 437.525 2.252 30 10 IEEE Cc1ncc(S(=O)(=O)N[C@@H](CSCc2cccc3cccnc23)C(=O)O)cc1C#N 573305082 AJONVGFDFYAFFM-SFHVURJKSA-N 442.522 2.475 30 10 IEEE COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2ccc(C#N)cc2)cc1OC 586172567 VMDCZZWWAYQXHL-UHFFFAOYSA-N 445.541 2.099 30 10 IEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 603798781 GFFWTFGBQJTNQW-HNNXBMFYSA-N 441.509 2.115 30 10 IEEE CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)C1 610178312 WXRLOYZBVKDFSQ-DYESRHJHSA-N 432.590 2.148 30 10 IEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1Cc1ccccc1 610487846 SMLNROVWQFNBEQ-LPHOPBHVSA-N 445.544 2.480 30 10 IEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscc2Cl)c(=O)n1Cc1ccccc1 610928984 DJUMUUJLEKOBMF-UHFFFAOYSA-N 441.965 2.455 30 10 IEEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cc1C 676727229 QPIZCNXGYWHGOS-QGZVFWFLSA-N 438.549 2.136 30 10 IEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(C(=O)NCc3ccccc3)CC2)C1=O 725766434 VOERIWSZHSUYBC-RUZDIDTESA-N 445.523 2.311 30 10 IEEE CCOCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727627079 CPHKVTOBRWKCSI-FQEVSTJZSA-N 428.533 2.202 30 10 IEEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O 735705036 FWECHYJKFGIPBS-SECBINFHSA-N 443.325 2.476 30 10 IEEE C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 745812957 GAZSPKUQJVAJPD-MVZUJROASA-N 431.924 2.255 30 10 IEEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 748412425 ABEHMRKHMFWRQH-UHFFFAOYSA-N 441.509 2.253 30 10 IEEE CN(C)CCN(CC(=O)O)C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757471710 UIYOJVDMJUEUQR-UHFFFAOYSA-N 449.507 2.003 30 10 IEEE CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 757733283 MKVJOWQQDWBYLV-INIZCTEOSA-N 431.580 2.356 30 10 IEEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758069715 RNFWDVGDJKHHOT-UHFFFAOYSA-N 427.595 2.321 30 10 IEEE COc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 760365465 MMJCJNSJBNWJAN-UHFFFAOYSA-N 429.498 2.368 30 10 IEEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2C1=O 761378994 UUWHMTIRCBPDAU-KSSFIOAISA-N 443.500 2.223 30 10 IEEE Cn1nnnc1CCn1c(-c2cccc(C#N)c2)csc1=Nc1ccc(C(N)=O)cc1 771527300 HAFRTFKAUPNOKS-UHFFFAOYSA-N 430.497 2.186 30 10 IEEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 776925581 GHOHSZPLLNNRSH-IBGZPJMESA-N 428.533 2.249 30 10 IEEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCCSC)c2=O)c(C)n1 781658672 SVWFBPCLGXAZFQ-UHFFFAOYSA-N 445.610 2.412 30 10 IEEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3ccccc3OC)CC2)n1 788937728 XPWOEAUEMGDQIY-UHFFFAOYSA-N 425.533 2.352 30 10 IEEE N#CC(C#N)=c1sc(=Cc2c(F)cccc2Br)c(=O)n1C[C@H]1CCCO1 794580625 XZGMSZIEYFBBTN-GFCCVEGCSA-N 434.290 2.017 30 10 IEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 797187833 YYDGUOFAPQTHHZ-UHFFFAOYSA-N 444.484 2.133 30 10 IEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1cnc(OC)nc1C 798574459 VUEJMWYCRCYMRK-MRXNPFEDSA-N 432.502 2.134 30 10 IEEE CS(=O)(=O)c1cc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc(C(F)(F)F)c1 804697855 UTEDEMQHTMTRLS-UHFFFAOYSA-N 433.433 2.240 30 10 IEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCC(=O)N2 918659708 RYLMFSFCUPKIQB-MRXNPFEDSA-N 442.497 2.109 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1(F)F 1137215531 ZYARBMFDKFMQAC-BFHYXJOUSA-N 444.479 2.364 30 10 IEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1143529055 ZRIAZCMBHDKYDB-UHFFFAOYSA-N 443.548 2.190 30 10 IEEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1OC 1144397402 BGROLHZWPAJODV-NTMALXAHSA-N 430.501 2.286 30 10 IEEE C=CC1(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1 1150870501 IKXXNQHWMPPGBE-MRXNPFEDSA-N 426.521 2.199 30 10 IEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CSC1 1166131258 HYYQFDUNUOBDSN-UHFFFAOYSA-N 444.534 2.449 30 10 IEEE C=CCCn1cc(C(=O)N(CC)[C@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 1166956934 CMGUIXAGCNXDCT-QGZVFWFLSA-N 448.568 2.174 30 10 IEEE C=CC(C)(C)CCCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1194426204 WQZHQYKKAFTREO-UHFFFAOYSA-N 430.592 2.287 30 10 IEEE CCc1c(NC(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1cccc(Cl)c1 1217338215 FQDAPLSAYHCXSH-UHFFFAOYSA-N 427.852 2.044 30 10 IEEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1276283400 FYIIWMBGQQABJD-OAQYLSRUSA-N 425.510 2.387 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1286293929 ALFNRHXBHIABKH-UGKGYDQZSA-N 438.576 2.276 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286386824 IBMHZJAWEZROPL-MJGOQNOKSA-N 444.605 2.020 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1286523230 RWKGCWAEUXRNCW-DYESRHJHSA-N 435.594 2.183 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286549732 BHFVSSCWYDKPHP-UZLBHIALSA-N 426.521 2.109 30 10 IEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1286603771 KOWSITWGBJQZAP-SFHVURJKSA-N 443.548 2.076 30 10 IEEE CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1287271036 JHSOGRJHQQJHAO-GOSISDBHSA-N 448.531 2.364 30 10 IEEE CCC(O)(CC)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1292285653 JQXYVVPAUNVCHC-UHFFFAOYSA-N 446.559 2.408 30 10 IEEE CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cn1 1295409360 DCPNADMBKBPQCL-NRFANRHFSA-N 428.516 2.148 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(O)CCC[C@H]2C)c1 1300332957 RLDOIUOVJPZHFO-MZNJEOGPSA-N 445.527 2.342 30 10 IEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1300422557 RZFSGTIKPYDACP-UHFFFAOYSA-N 433.516 2.136 30 10 IEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1300458028 DKVOQOCZOFCJFO-LJQANCHMSA-N 438.557 2.100 30 10 IEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1300481567 APEGMDFVJDMHKH-RLLQIKCJSA-N 433.622 2.435 30 10 IEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC(C)C 1300906050 ZCQDUOBQIGGLHT-UHFFFAOYSA-N 448.593 2.122 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301496522 BTVIYWCMGKCMRZ-OAQYLSRUSA-N 443.511 2.400 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1301578512 COUAFRAPERHTLA-HNNXBMFYSA-N 443.529 2.027 30 10 IEEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)c2nccs2)CCOC1 1303503310 CMCXDHUCRPPPLR-GQIGUUNPSA-N 432.550 2.308 30 10 IEEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)c1 1303899692 KNBLIPBFZAURQY-MSOLQXFVSA-N 449.511 2.426 30 10 IEEE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 1314641390 WXPSMVDISCPCHE-UHFFFAOYSA-N 434.342 2.264 30 10 IEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CC1 1315751594 GBGVNKQGJZFBAT-UHFFFAOYSA-N 438.532 2.214 30 10 IEEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1316209151 JLWGAOCHWSYRSL-UXPWSPDFSA-N 446.527 2.173 30 10 IEEE CS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC(C#N)CC1 1316348136 LXRCVYYWKBWIRD-UHFFFAOYSA-N 438.351 2.492 30 10 IEEE CC[C@H](C)N/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cccc(CO)c1 1318305491 FSFGBIDVPQGOJF-AWEZNQCLSA-O 436.579 2.249 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1358889365 AUYQARQSNZDPHL-GVDBMIGSSA-N 432.546 2.114 30 10 IEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOCC)CC1 1358929860 JNKSCCVGYZLCIQ-OAQYLSRUSA-N 425.533 2.363 30 10 IEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1358934433 BJJWFDMYOUJDMN-JOCHJYFZSA-N 425.489 2.310 30 10 IEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358961139 SFEZSNGRMSBVBL-SFHVURJKSA-N 439.541 2.265 30 10 IEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1358983518 LLLAHSUDOIIRGZ-NHCUHLMSSA-N 433.512 2.368 30 10 IEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(F)(F)CO1 1359017095 UEJUHSYBIQPSTF-IRXDYDNUSA-N 433.434 2.432 30 10 IEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359060167 MTJQLDFENAKSKG-ZWKOTPCHSA-N 428.514 2.380 30 10 IEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCSC2)C1 1359294349 QZOJLGQELSDEAA-HXUWFJFHSA-N 428.518 2.489 30 10 IEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 1359295164 RXTVNMCYKFMBFN-UHFFFAOYSA-N 440.548 2.433 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCCCC2)CC1 1359299966 QNWJUQKIJMDPDG-FQEVSTJZSA-N 430.597 2.177 30 10 IEEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359519358 GJALBZRUQDYHNN-AVRDEDQJSA-N 443.573 2.239 30 10 IEEE CC(C)(C)OCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1359583971 LABFZTUIDXMQSR-FQEVSTJZSA-N 425.472 2.178 30 10 IEEE C=C(Cl)C[C@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OCC 1438405731 WFCPPWPXLSCVJV-KRWDZBQOSA-N 431.924 2.368 30 10 IEEE COC(=O)[C@H]1Cc2ccccc2N(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1439662540 SDXWSIQQZJFDDH-PKOBYXMFSA-N 446.463 2.142 30 10 IEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1cccc(OCC#N)c1 1441543920 GTPVKQIIIACBPT-BMGDILEWSA-N 449.529 2.198 30 10 IEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)c1 1441630722 MBLKKZQZGTVCTA-XKFWBUCGSA-N 444.488 2.388 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(c4cc(F)ncn4)CC3)C2)C1 1449984254 OHBSAWUQNBIWHX-JXORXQGFSA-N 444.511 2.051 30 10 IEEE N#Cc1ccccc1COc1ccc(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc1 1453498933 AZOSBKOPCZAZNW-UHFFFAOYSA-N 430.468 2.305 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C[C@H](O)CC2(C#N)CC2)C1 1459778851 JBFXMWIQGLOKKZ-GUDVDZBRSA-N 434.581 2.269 30 10 IEEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 1460027049 GFJYSYDESMYAMO-KKSFZXQISA-N 427.526 2.388 30 10 IEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC([C@H](F)C(N)=O)CC2)cc1 1460648566 ZSWIBQBAQURHRS-NRFANRHFSA-N 441.507 2.448 30 10 IEEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccc(OCC(N)=O)cc2)C1 1464021586 LXDAENDXOWXRRD-UHFFFAOYSA-N 429.274 2.260 30 10 IEEE COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)cc1 1469280549 OYJBHSAGFKQNDJ-KRWDZBQOSA-N 442.541 2.062 30 10 IEEE N#Cc1cnn2c(O)cc(CN3CCC([C@H]4CCCN(C(=O)C(F)(F)F)C4)CC3)nc12 1473653662 FRWJELFRZXFYPG-AWEZNQCLSA-N 436.438 2.319 30 10 IEEE CN(C)C(=O)CCCn1c(C2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503363054 CGKASUCRKPVSFH-UHFFFAOYSA-N 436.564 2.397 30 10 IEEE CN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 1503612306 SMNPEKLGRGICTK-ICSRJNTNSA-N 428.512 2.172 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N1CCOCC1 1507520949 IOHYQYRXTYYCGO-CVEARBPZSA-N 427.574 2.448 30 10 IEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCCC1(C)C 1507522646 XJFZMTOBPWZUEB-QFBILLFUSA-N 445.589 2.468 30 10 IEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1507564535 RTDBAXIIZBNZMT-LJQANCHMSA-N 437.548 2.255 30 10 IEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507629662 OERZXQJVQNBAMZ-ICSRJNTNSA-N 429.590 2.302 30 10 IEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1snnc1C 1507686484 CUMOVNOSIZEALS-UHFFFAOYSA-N 434.529 2.343 30 10 IEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1507702186 GVFFODJFSDQSEN-NRFANRHFSA-N 438.576 2.211 30 10 IEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1F 1507710716 JZHVBEPEAMRMBC-GOSISDBHSA-N 434.537 2.038 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1507755458 UUFMHVMKRXACPU-SFHVURJKSA-N 446.527 2.200 30 10 IEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507799097 VGDBQDNZACHIBY-GGAORHGYSA-N 444.624 2.338 30 10 IEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507930614 GTBAVVFIEWNEPX-INIZCTEOSA-N 445.593 2.261 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1507980469 GYGKHFJKIHFIOT-INIZCTEOSA-N 443.932 2.074 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H](C)c1nccs1 1508142746 VAZRTEJGHLHJFI-HUUCEWRRSA-N 425.580 2.079 30 10 IEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1517719985 AWLAGOGWBCRPKK-SFHVURJKSA-N 440.504 2.044 30 10 IEEE Cn1cc(CNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(-c2ccc(C#N)cc2)n1 1522167657 LNRZRGCTEMMDBZ-IBGZPJMESA-N 427.464 2.094 30 10 IEEE Cc1nsc(N(C)C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)c1C#N 1525007818 GXMJZAVTDXIQDH-QGZVFWFLSA-N 427.530 2.059 30 10 IEEE C#CCNC(=O)C1CCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)CC1 1538195370 FUJWAWQDQXSXCM-UHFFFAOYSA-N 425.529 2.461 30 10 IEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2c(CC)nn(C)c2OC)c1 1539043268 OTIMMPJNPCLZKO-UHFFFAOYSA-N 435.532 2.250 30 10 IEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 1540550566 UPRWWOSVPYCTIG-JXALWOEJSA-N 440.544 2.279 30 10 IEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1C(C)(C)C 1540908133 CKJDHWMKWVSVOG-MRXNPFEDSA-N 436.582 2.327 30 10 IEEE CC(C)CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1541589039 KZCCNZZDHFILPT-RHSMWYFYSA-N 432.591 2.110 30 10 IEEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)COC 1548380156 SAXZMIWXEXGOPZ-QGZVFWFLSA-N 438.450 2.157 30 10 IEEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1552634186 VFBQQUKJWZQCGC-KRWDZBQOSA-N 449.602 2.495 30 10 IEEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1557363563 XRKSRKXYMJEDST-LJQANCHMSA-N 430.526 2.020 30 10 IEEE N#C[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1)C1CC1 1584314684 VBGMDCPXJUOGQR-UAGQMJEPSA-N 425.348 2.461 30 10 IEEE Cc1c(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cnn1CCC#N 1584853001 FVQMAEZZASTVOY-PWSUYJOCSA-N 425.333 2.319 30 10 IEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1587766123 OYWVWRNEFOKCAH-APWZRJJASA-N 430.530 2.217 30 10 IEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1587817993 NGQJNDZARKADDZ-KDURUIRLSA-N 430.505 2.234 30 10 IEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1587869634 PVPUARQUVKWXRB-UHFFFAOYSA-N 430.512 2.345 30 10 IEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588065066 STTBKXSWAGYMGJ-LJQANCHMSA-N 449.646 2.287 30 10 IEEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)n(C)c1 1588079969 FMFODFCYEPDOPI-UHFFFAOYSA-N 441.517 2.069 30 10 IEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCOCCN(C)C 1588189512 LOZMNDFRHDWTCE-UHFFFAOYSA-N 447.381 2.087 30 10 IEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1588872229 ZWSMGXMVDKAHML-NRFANRHFSA-N 439.560 2.436 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC(=O)NC2CC2)CC1 1588877252 YBRMVXROKMHJAA-TZIWHRDSSA-N 442.608 2.011 30 10 IEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1589059238 CSHFMTNRYSAFTH-SFHVURJKSA-N 446.621 2.071 30 10 IEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1593883981 AAQIFABMZRVSIP-QZXCRCNTSA-N 442.994 2.307 30 10 IEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1594963025 OTVQQZPVJDFUIF-LEWJYISDSA-N 443.617 2.367 30 10 IEEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1595556090 NKBKRSQNIJWHOY-MRXNPFEDSA-N 428.537 2.241 30 10 IEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1595664805 KJBWNUJEOJKKIG-UHFFFAOYSA-N 449.559 2.421 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@@H]2OC)C1 1595737969 JTPRCICWJNHYKD-QRQLOZEOSA-N 433.578 2.467 30 10 IEEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2nnc3c2CCCC3)cc1 1596925767 SEGLRHHZPYWQCU-GFMRDNFCSA-N 444.561 2.389 30 10 IEEE CC(C)(C)OC(=O)NCC1(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCCC1 1597372262 QFOHXVKHLNDPRC-KKSFZXQISA-N 439.578 2.248 30 10 IEEE CSC1([C@@H](C#N)N(C)C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1597813303 UFUXPKJZUJFELM-RVKKMQEKSA-N 437.587 2.344 30 10 IEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1611303681 RIEUHXBGBWAEMT-OAHLLOKOSA-N 429.550 2.323 30 10 IEEE COc1cc(OC)c2ncc(C#N)c(NCC(=O)NCC(=O)N(C)Cc3ccccc3)c2c1 1612884027 CHOSKUNJCQREHD-UHFFFAOYSA-N 447.495 2.310 30 10 IEEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1617697283 MQXGKDRCGGBQSI-OAQYLSRUSA-N 447.543 2.448 30 10 IEEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1618365132 HZAUIYVURVNUIO-MOPGFXCFSA-N 438.532 2.259 30 10 IEEE CSc1ccc(F)cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1620234959 HHGGCXJCYUWAGB-INIZCTEOSA-N 430.509 2.152 30 10 IEEE N#Cc1c(CCCNC(=O)c2cccc(Cn3cncn3)c2)nn(-c2ccccc2)c1N 1625332917 UFJWLLKRBRRKDE-UHFFFAOYSA-N 426.484 2.329 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N[C@H](CC)CO)cc1 1630268771 HOZIMZQPDVLGOA-MJGOQNOKSA-N 431.533 2.361 30 10 IEEE CN1CCC(C#N)(NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC1 1632611098 PRYQIIRMCATBSI-UHFFFAOYSA-N 426.521 2.165 30 10 IEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)cc1 1635015404 DAJOYXZFGSJCRL-SFHVURJKSA-N 435.546 2.378 30 10 IEEE Cc1nc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc2n1[C@@H](C)CO 1636582171 ANIZHRFHDMUHSR-UONOGXRCSA-N 441.513 2.075 30 10 IEEE CCOC(=O)[C@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C1CCOCC1 1637576543 MSOOKXYWMWYFKA-LJQANCHMSA-N 431.338 2.382 30 10 IEEE C=CCN(C(=O)c1ccc(CS(N)(=O)=O)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1638617584 IPDXFOGMVDDNJR-FQEVSTJZSA-N 430.526 2.278 30 10 IEEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1638898213 SFVSSQOGQZTRGJ-BATSVXPKSA-N 438.521 2.422 30 10 IEEE N#Cc1ccc(S(=O)(=O)CCN2CCn3c(Cc4ccccc4F)nnc3C2)cc1 1643700513 DDVKYVUVJYICHC-UHFFFAOYSA-N 425.489 2.169 30 10 IEEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1643911360 XVJRMKUVMNCYTO-AWEZNQCLSA-N 445.463 2.295 30 10 IEEE N#Cc1ccc(NC(=O)CN2CCC(n3nncc3I)CC2)cc1 1647761929 KXDHUWPHIZUOEV-UHFFFAOYSA-N 436.257 2.030 30 10 IEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 1653513469 GUWVLWSKAFITKB-JOCHJYFZSA-N 447.557 2.214 30 10 IEEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1662577698 YFIWAAAIMKSWSB-STQMWFEESA-N 441.278 2.440 30 10 IEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1668468303 GZQOWGMEKKZRLX-UHFFFAOYSA-N 425.230 2.377 30 10 IEEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1683641367 BHHMVFAZFPJWPU-QGZVFWFLSA-N 428.537 2.432 30 10 IEEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1686055645 LXXCUYJOBPGIFR-DGAVXFQQSA-N 448.442 2.128 30 10 IEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COc1ccccc1OC 1689851010 KLPTYEUPJCIZNZ-SQNIBIBYSA-N 446.573 2.362 30 10 IEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690670978 MTFZZTVBAUBZNV-SFHVURJKSA-N 427.553 2.075 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)C1 1690712403 VDSSXAPBRMOEDT-UYAOXDASSA-N 442.564 2.264 30 10 IEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1692725465 IDWNFKZAELSCST-SQGPQFPESA-N 426.521 2.250 30 10 IEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1695894421 BIWYHEMXUOSAIK-XXBNENTESA-N 439.612 2.082 30 10 IEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)nc2)C1 1698483139 UKGMMLDFKXHILP-LJQANCHMSA-N 426.843 2.464 30 10 IEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705525585 NTSTXLWFCRXDGL-LJQANCHMSA-N 433.354 2.422 30 10 IEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)c1ccccc1 1705550539 MOFMIBWZFNLJKD-UHFFFAOYSA-N 437.573 2.444 30 10 IEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1705563979 IVSWSTIQNQXEHV-GOSISDBHSA-N 441.532 2.406 30 10 IEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@](C)(O)CCOC)CC1 1705635346 WLXVNSSBAMYRIW-XUZZJYLKSA-N 425.577 2.363 30 10 IEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(F)c(COC)c2)CC1 1705640742 DAFXLGMEODNDNL-UHFFFAOYSA-N 434.519 2.353 30 10 IEEE C=C(Cl)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705760604 NHNHAMGCTNEXIK-FQEVSTJZSA-N 433.944 2.188 30 10 IEEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCN2CCN(C(C)=O)CC2)CC1 1705783570 LYFFKOHXQCGRRC-UHFFFAOYSA-N 428.606 2.497 30 10 IEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705798793 BEXAWMQKLZLSNC-IBGZPJMESA-N 443.596 2.453 30 10 IEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1705949512 AVLZTXROZQSXPO-IRXDYDNUSA-N 439.582 2.200 30 10 IEEE Cc1nc(Cc2nnc(N(C)C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1707744456 VXFUPNSQDJVMDA-VHEBQXMUSA-N 427.534 2.149 30 10 IEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371150 HGNBFZWSHDKJPZ-NHCUHLMSSA-N 447.649 2.368 30 10 IEEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722458693 QGYZLEBLAAZTNO-UHFFFAOYSA-N 442.564 2.422 30 10 IEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722462147 JPZMVQCPVAEYAX-UHFFFAOYSA-N 437.573 2.249 30 10 IEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722626238 AKXATRLOJNKLMS-VQTJNVASSA-N 430.553 2.175 30 10 IEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1722755425 ROCUPHYPBFFMCN-IBGZPJMESA-N 442.589 2.237 30 10 IEEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccnc1OCCOC 1727013963 VUPZEUHGGGATHM-YLJYHZDGSA-N 439.564 2.437 30 10 IEEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccnc1OCC 1729033454 KEBIBTYIMSVVRR-UHFFFAOYSA-N 435.488 2.192 30 10 IEEE CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1729300193 INQYAYVCAUHFFM-QGZVFWFLSA-N 426.521 2.380 30 10 IEEE CN(CCCc1ccccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1729513622 WCICPBFTGQVSKH-LSDHQDQOSA-N 446.515 2.264 30 10 IEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1729762452 HEZDADHYRFQXHE-UHFFFAOYSA-N 436.516 2.252 30 10 IEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)cc1 1730115984 DAMYDPYMFJLCPP-QFIPXVFZSA-N 426.496 2.040 30 10 IEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C1 1731179868 GVFACPNFTDKEAK-KRWDZBQOSA-N 446.288 2.226 30 10 IEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740570619 GOXQRSRXZYPCPQ-OAQYLSRUSA-N 441.624 2.028 30 10 IEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCCC2)nc1 1740630697 DVWYTYQSLXZBEK-XMMPIXPASA-N 434.544 2.047 30 10 IEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(C)COCCO1 1740680428 BEYSWCAXARAJDS-QHCPKHFHSA-N 436.516 2.227 30 10 IEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2OC(F)F)CC1 1740696231 OSVLPALFYGUXHH-GOSISDBHSA-N 431.487 2.381 30 10 IEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)CC1 1740809627 PHNGPTYTXGUGOT-UHFFFAOYSA-N 432.834 2.443 30 10 IEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)CC1 1740825459 OMJNUBCFQKXZLR-OAHLLOKOSA-N 437.953 2.464 30 10 IEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740852042 HOZUBDMICDRWLB-JTSKRJEESA-N 432.569 2.135 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1740979388 DPKVZPXPYULGAS-VQTJNVASSA-N 446.573 2.156 30 10 IEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1C(C)C 1740985378 GMXXLQZBQDENCL-MRXNPFEDSA-N 432.550 2.151 30 10 IEEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1747862513 CPWLKLLOGKBKDR-QZTJIDSGSA-N 429.546 2.114 30 10 IEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1749073004 BVQHMBGQRHCOLU-WOJBJXKFSA-N 431.587 2.130 30 10 IEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1749331398 JEHIZMLDOGQEDS-QHCPKHFHSA-N 427.549 2.431 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2F)CC1 1749455423 VIVLGTMENSSRCC-UHFFFAOYSA-N 426.500 2.132 30 10 IEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749663381 CHOBBASFFGXMOK-UHFFFAOYSA-N 432.532 2.274 30 10 IEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1749704002 UCIWOGQXBCMLOA-HXUWFJFHSA-N 441.557 2.423 30 10 IEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1749730502 GNXTZNSMPBZJEH-ROUUACIJSA-N 448.593 2.063 30 10 IEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(OC)CC1 1749732181 RPOPZHZCJJEFLM-PXNSSMCTSA-N 426.583 2.168 30 10 IEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1749738679 USCQTOALDUMFHK-UHFFFAOYSA-N 437.610 2.059 30 10 IEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cnccn1 1749741063 OCMMBCGHEQDPRK-UHFFFAOYSA-N 428.522 2.076 30 10 IEEE COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1NC(=O)CC1(C)C 1749828208 XBUSCQWTAMZWHL-GOSISDBHSA-N 426.521 2.235 30 10 IEEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ncccc1C 1749967017 OKJPJMIPRYWNOL-INIZCTEOSA-N 449.515 2.289 30 10 IEEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1750030817 RMSZRMIBSFMGJP-UHFFFAOYSA-N 436.438 2.237 30 10 IEEE C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1751140199 HQVYQEQSFIQOKP-HJPURHCSSA-N 434.548 2.272 30 10 IEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)cc1C 1751572571 GQNFHVFNHAPMOP-IBGZPJMESA-N 426.521 2.117 30 10 IEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1760170442 CQTOXAQRGNXFLD-HNNXBMFYSA-N 434.422 2.229 30 10 IEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1760219503 GNFZOGGIENTMSK-ACBHZAAOSA-N 447.605 2.071 30 10 IEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1760263365 YMGZRJFKDLFXSI-NLFFAJNJSA-N 437.588 2.378 30 10 IEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760359603 SNVLNDSCDHEJBT-FCHUYYIVSA-N 440.592 2.404 30 10 IEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)CCOC)CC1 1760383991 GRPMRDIAITVPAI-UHFFFAOYSA-N 433.578 2.083 30 10 IEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1760434012 XXPDMSAADABRKE-YDZRNGNQSA-N 436.626 2.165 30 10 IEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760449218 DPHBCGAVLVUIQN-OAHLLOKOSA-N 427.475 2.344 30 10 IEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCC1 1760457307 MUVMMRPZXYSLDC-UHFFFAOYSA-N 432.594 2.302 30 10 IEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760566057 KDQSRWGHXWQYNL-DLBZAZTESA-N 449.602 2.152 30 10 IEEE Cc1ccccc1[C@H]1C[C@H](n2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1762144148 ALVLDPGZQCEXJA-XLAORIBOSA-N 444.561 2.044 30 10 IEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C1 1767868117 AUVZTZDXXWBRIU-SFHVURJKSA-N 448.483 2.229 30 10 IEEE COc1cc2c(cc1Cn1c(CN3CCCC3=O)nnc1N(C)C[C@H](C)C#N)O[C@@H](C)C2 1768399753 CPTNQIJTDDETTO-CVEARBPZSA-N 438.532 2.377 30 10 IEEE CN(CCc1nccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1768860136 DBMDOSMUAOTMHR-UHFFFAOYSA-N 444.524 2.494 30 10 IEEE Cn1cccc1-c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(C#N)o1 1769033396 OYMLTGLVYURBKE-ZDUSSCGKSA-N 447.421 2.301 30 10 IEEE COc1cc2ncnc(N(C(=O)[C@H]3CN4CCN3CC4)c3ccc(C#N)cc3)c2cc1OC 1851094810 XVWQSWZUHAPPSQ-HXUWFJFHSA-N 444.495 2.183 30 10 IEEE COc1cc2c(cc1OC)CN(CCCNC(=O)c1cnc3c(C#N)c(C)nn3c1C)CC2 1852028646 URAMYGNQBPXZGA-UHFFFAOYSA-N 448.527 2.413 30 10 IEEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)C1 1855279154 UTTBZUGSULJOCB-OAHLLOKOSA-N 446.356 2.003 30 10 IEEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)OC1=O 1856210846 KWDPYQBQOOCZCQ-AWEZNQCLSA-N 445.419 2.367 30 10 IEEE CCN1CCN(S(=O)(=O)c2ccc(CN=c3[nH]cc4c(c3C#N)CCCC4)cc2)CC1 1859510798 AEAPWEBYRKAHSX-UHFFFAOYSA-N 439.585 2.192 30 10 IEEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1cc(CC(C)C)n(-c2cccc(Cl)c2)n1 1860951168 RIOIFDPGVGOFPM-KRWDZBQOSA-N 431.924 2.000 30 10 IEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862567211 NLRDTHRVPYFDRV-HXPMCKFVSA-N 442.468 2.254 30 10 IEEE COc1cccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)c(C)o2)c1 1866673171 DVNSWEXAPQUYGG-FQEVSTJZSA-N 434.452 2.189 30 10 IEEE CC[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1867223803 YBBGLDCSUHRBQN-HXUWFJFHSA-N 435.528 2.466 30 10 IEEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 1869929976 QJRSSRCMDQKTLF-LAUBAEHRSA-N 440.569 2.489 30 10 IEEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870494446 GHDMEKTZWJSERX-UHFFFAOYSA-N 445.560 2.011 30 10 IEEE C=CCOc1cn(CCO)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1870813395 JJPLMBLRQYJMIB-UHFFFAOYSA-N 442.560 2.089 30 10 IEEE C=CCN=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535587 HWIFEBBBMZWWRU-UHFFFAOYSA-N 449.490 2.251 30 10 IEEE COc1ccc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1O 1874340174 DNGGQVVOABOMHA-FPQGOQEYSA-N 433.534 2.073 30 10 IEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NC[C@H]3CCCO3)ncnc21 1875228540 SQOWZGJOULMUIJ-MRXNPFEDSA-N 442.520 2.123 30 10 IEEE C[C@@H](C(=O)N1CC(COc2cccnc2C#N)C1)n1nc(-c2ccc(F)cc2)ccc1=O 1891307591 QMKSHUVYUUFTGV-HNNXBMFYSA-N 433.443 2.414 30 10 IEEE Cc1nc(I)c(N)c(N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 2008827203 QFANDXYAXVHUHE-CQSZACIVSA-N 434.285 2.186 30 10 IEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1 2010148447 SJSLHVPVPWPFHN-RDPSFJRHSA-N 429.561 2.436 30 10 IEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060633800 RPMRRLICBQAWTH-NNXHMXCWSA-N 436.358 2.419 30 10 IEEE COC(=O)[C@H](CC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 2060636611 ZSDYTUSSPYMBSG-HNNXBMFYSA-N 438.330 2.233 30 10 IEEE C#Cc1cncc(-n2nc(C3CNC3)c(I)c2Br)c1 2070617060 CSLJOIUTABPAKZ-UHFFFAOYSA-N 429.059 2.303 30 10 IEEE C[S@@](=O)CC1(C)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2129780700 AHYMOTMOLMVDOL-RUZDIDTESA-N 429.189 2.348 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(c3ncc(Br)cc3C#N)CCN2C1=O 2174819902 RDNGUFHLVQREHO-KGLIPLIRSA-N 436.310 2.030 30 10 IEEE CO[C@@H]1CN(c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2224093775 OYDLTYUIUYVCDM-DLBZAZTESA-N 433.358 2.418 30 10 IEEE C#CCN(CC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O)C(=O)OC(C)(C)C 2237391593 HNXCJBAGODVLSA-HNNXBMFYSA-N 439.306 2.431 30 10 IEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243417095 LOLQLUQQVCWDKJ-VXGBXAGGSA-N 425.360 2.474 30 10 IEEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2244372473 COHOURLPEDFACZ-YCRPNKLZSA-N 427.542 2.334 30 10 IEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255541312 ZRHWXSTVJMSWMN-YOEHRIQHSA-N 431.342 2.366 30 10 IEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603115 BEEJUTYAGDGZFO-KGLIPLIRSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630175 GSXPNDQQMBBVDF-AWEZNQCLSA-N 434.346 2.086 30 10 IEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@H]1NC(=O)OC(C)(C)C 2255633089 WDARJYXDJVRUIQ-ZIAGYGMSSA-N 434.346 2.084 30 10 IEEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255648615 NCXFPLOLTDBJGX-CMDGGOBGSA-N 435.305 2.331 30 10 IEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255666215 PTHZMDXNRGETRW-UHFFFAOYSA-N 429.326 2.216 30 10 IEEE C[C@@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267186318 HYHDMIATPOTTAA-YRGRVCCFSA-N 444.259 2.496 30 10 IEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267187822 DDNKQPRDIOWGNZ-OAHLLOKOSA-N 448.373 2.191 30 10 IEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267524976 XTDZKCMKUSUVCH-OFQRWUPVSA-N 446.357 2.084 30 10 IEEE CC1(C)OB(c2cncnc2C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)OC1(C)C 2267590420 OMJSFFWCVLGQAW-XMMPIXPASA-N 436.365 2.418 30 10 IEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879953 NJXZDBITCYDCCW-CABCVRRESA-N 446.357 2.342 30 10 IEEE CO[C@@H]1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2268629154 SAGYFHJWIAUTJI-HZPDHXFCSA-N 447.341 2.344 30 10 IEEE Cn1cc([C@@H](O)[C@H](N)C#Cc2cccc(Br)c2)c(I)n1 2296228733 BRIQPIUZCWXHEX-CHWSQXEVSA-N 446.086 2.200 30 10 IEEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccc2F)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296937062 KAMGIXZVNZWDHB-SFHVURJKSA-N 430.388 2.165 30 10 IEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccccn3)CC2=O)cc1 2325882578 XSBIMOBSEQKLJB-HNNXBMFYSA-N 438.513 2.169 30 10 IEEE COc1cccc(C=Nn2c(CCCOc3ccccc3)nnc2SCC(N)=O)c1O 2328729987 QHDRRXUFXILWBT-UHFFFAOYSA-N 441.513 2.464 30 10 IEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)n1 2337020343 OLBIOZSGCIFIJE-SJLPKXTDSA-N 447.385 2.401 30 10 IEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC1(C)C 2337293107 YPCHSYYQWQSUKT-CQSZACIVSA-N 448.373 2.237 30 10 IEEE